smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c[nH+]c(N2CCN3CC[NH2+]C[C@H]3C2)cc1N ZINC001164404437 718838654 /nfs/dbraw/zinc/83/86/54/718838654.db2.gz MRWOJQDWIKDIOS-NSHDSACASA-N 2 0 247.346 0.066 20 0 BCADRP C[NH+](C)Cc1ccnc(N2C[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001164416296 718888585 /nfs/dbraw/zinc/88/85/85/718888585.db2.gz CWUYWAIETMJAKI-DGCLKSJQSA-N 2 0 232.331 0.681 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CC[NH+]2CCC1CC2 ZINC000572377803 398137371 /nfs/dbraw/zinc/13/73/71/398137371.db2.gz OGWMQWPZLFHFER-UHFFFAOYSA-N 2 0 237.347 0.435 20 0 BCADRP C[C@H](C[NH2+]C[C@H](C)O)C[NH+]1CCCC1 ZINC000062071240 349437478 /nfs/dbraw/zinc/43/74/78/349437478.db2.gz QNLCOZZPVGXVTB-MNOVXSKESA-N 2 0 200.326 0.689 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000378683728 346807583 /nfs/dbraw/zinc/80/75/83/346807583.db2.gz ZNTZSFDVHKXCNL-UTLUCORTSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000070317017 398138422 /nfs/dbraw/zinc/13/84/22/398138422.db2.gz HNGYQBWNXYUWAN-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP CC[C@H]([NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319327 398142674 /nfs/dbraw/zinc/14/26/74/398142674.db2.gz YCLGWYJRPAJCGM-NSHDSACASA-N 2 0 245.286 0.943 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CCN(C)CC1 ZINC000044761254 168321940 /nfs/dbraw/zinc/32/19/40/168321940.db2.gz PMXPKSMHPQCFFG-UHFFFAOYSA-N 2 0 227.352 0.526 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000257694897 349471875 /nfs/dbraw/zinc/47/18/75/349471875.db2.gz MTDUXCFWSOGOIC-HBNTYKKESA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@]1(C(=O)NCCCC[NH3+])CCC[NH2+]C1 ZINC000062859351 349494017 /nfs/dbraw/zinc/49/40/17/349494017.db2.gz ONSOPGRMMWXJLM-LLVKDONJSA-N 2 0 213.325 0.231 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643159 398146545 /nfs/dbraw/zinc/14/65/45/398146545.db2.gz LHMCVLQONOLWFA-VPOLOUISSA-N 2 0 225.336 0.241 20 0 BCADRP C[C@]1(C[N@H+](CCCO)C2CC2)CC[NH2+]C1 ZINC000379468278 398147035 /nfs/dbraw/zinc/14/70/35/398147035.db2.gz ZIDBXDPVNYLRAW-LBPRGKRZSA-N 2 0 212.337 0.833 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159589584 136214450 /nfs/dbraw/zinc/21/44/50/136214450.db2.gz DZUIRTJYRHREEY-GFCCVEGCSA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973593 349503177 /nfs/dbraw/zinc/50/31/77/349503177.db2.gz KVJZQFDVRQZVMI-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973210 349503311 /nfs/dbraw/zinc/50/33/11/349503311.db2.gz KDOZPDXZIHJENL-LBPRGKRZSA-N 2 0 237.347 0.435 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1C ZINC000649333343 398149631 /nfs/dbraw/zinc/14/96/31/398149631.db2.gz NQNHGZLCUPKNKP-JCIQBVFBSA-N 2 0 237.347 0.051 20 0 BCADRP COC[C@@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000389980044 398154817 /nfs/dbraw/zinc/15/48/17/398154817.db2.gz IAJMJMHSFMYLDI-JTQLQIEISA-N 2 0 202.298 0.073 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH3+] ZINC000390006172 398155474 /nfs/dbraw/zinc/15/54/74/398155474.db2.gz WUBGLXCEDPOEAA-DTWKUNHWSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000649341524 398157558 /nfs/dbraw/zinc/15/75/58/398157558.db2.gz DKZSJFLXDQPWSM-NEPJUHHUSA-N 2 0 239.363 0.444 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000366493853 398167679 /nfs/dbraw/zinc/16/76/79/398167679.db2.gz BDPVJKYQXLQYDU-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(CO)CCOCC2)C1 ZINC000563426299 398170931 /nfs/dbraw/zinc/17/09/31/398170931.db2.gz RTMFUZLECVXXPJ-VXGBXAGGSA-N 2 0 242.363 0.635 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H](C)[NH+](C)C)CC[C@H]1[NH3+] ZINC000649358731 398173724 /nfs/dbraw/zinc/17/37/24/398173724.db2.gz ARBKMCWWZWTVSJ-HBNTYKKESA-N 2 0 227.352 0.522 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC12CC[NH2+]CC2)[NH+](C)C ZINC000649362917 398174215 /nfs/dbraw/zinc/17/42/15/398174215.db2.gz HMYHODJGZSEVLX-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C)[NH+](C)C ZINC000649361849 398175207 /nfs/dbraw/zinc/17/52/07/398175207.db2.gz GRSPHDIVHXDESV-VPOLOUISSA-N 2 0 227.352 0.439 20 0 BCADRP c1n[nH]nc1CCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000647964409 398177735 /nfs/dbraw/zinc/17/77/35/398177735.db2.gz IODDVQIMYIYGJD-GFCCVEGCSA-N 2 0 249.362 0.765 20 0 BCADRP C[C@@H](C(=O)N[C@@H](C[NH3+])C(C)(C)C)[NH+](C)C ZINC000649367330 398179784 /nfs/dbraw/zinc/17/97/84/398179784.db2.gz MGNVEMWLMHBWSP-IUCAKERBSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@H](C)[NH+](C)C ZINC000649371103 398184115 /nfs/dbraw/zinc/18/41/15/398184115.db2.gz LTYQJGBBLMGFJW-VGMNWLOBSA-N 2 0 201.314 0.179 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649348653 398162576 /nfs/dbraw/zinc/16/25/76/398162576.db2.gz PXGIMJUDZMXHSG-NELYUFSOSA-N 2 0 249.358 0.336 20 0 BCADRP COC[C@@H](C)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000379763098 398165098 /nfs/dbraw/zinc/16/50/98/398165098.db2.gz FYFGWEKNOUFXIW-QWHCGFSZSA-N 2 0 241.379 0.248 20 0 BCADRP C[C@@H](C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[NH+](C)C ZINC000649354396 398167282 /nfs/dbraw/zinc/16/72/82/398167282.db2.gz KMVRQVVQDLGGPQ-GUBZILKMSA-N 2 0 213.325 0.132 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)[NH+](C)C ZINC000649354398 398167325 /nfs/dbraw/zinc/16/73/25/398167325.db2.gz KMVRQVVQDLGGPQ-LPEHRKFASA-N 2 0 213.325 0.132 20 0 BCADRP CC[C@H](CO)[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000072797913 398187013 /nfs/dbraw/zinc/18/70/13/398187013.db2.gz FSPVZZLZZWDNDS-LLVKDONJSA-N 2 0 238.335 0.298 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000336746188 398187795 /nfs/dbraw/zinc/18/77/95/398187795.db2.gz RECZLESZQVFPKN-LPEHRKFASA-N 2 0 213.325 0.323 20 0 BCADRP CC(C)[NH2+]CCC(=O)N(C)[C@H](C)C[NH3+] ZINC000380277068 398192950 /nfs/dbraw/zinc/19/29/50/398192950.db2.gz XWYAEDBJHUDDPL-SECBINFHSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H](C)[NH+](C)C ZINC000649371104 398184256 /nfs/dbraw/zinc/18/42/56/398184256.db2.gz LTYQJGBBLMGFJW-YIZRAAEISA-N 2 0 201.314 0.179 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)[NH+]1CCCC1 ZINC000164695547 398203005 /nfs/dbraw/zinc/20/30/05/398203005.db2.gz WVVTYOGFACUQMT-MNOVXSKESA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000380714586 398205916 /nfs/dbraw/zinc/20/59/16/398205916.db2.gz NQBDKKNXNAOSKX-MNOVXSKESA-N 2 0 225.336 0.276 20 0 BCADRP C[C@@H]([NH3+])CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000649411058 398209800 /nfs/dbraw/zinc/20/98/00/398209800.db2.gz JVIYLYBSVXIIRI-VXGBXAGGSA-N 2 0 227.352 0.130 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC[NH2+][C@H](C)C2)CC[N@@H+]1C ZINC000647807491 398216648 /nfs/dbraw/zinc/21/66/48/398216648.db2.gz CLCSMRMTGYHJPE-GMTAPVOTSA-N 2 0 225.336 0.147 20 0 BCADRP c1cc(N2CCN(C[C@@H]3CC[NH2+]C3)CC2)cc[nH+]1 ZINC000649414824 398218377 /nfs/dbraw/zinc/21/83/77/398218377.db2.gz ZQFMWCBWUWBTMF-CYBMUJFWSA-N 2 0 246.358 0.813 20 0 BCADRP Cn1cc(C[C@H]2CC[N@H+](CCC[NH3+])C2)cn1 ZINC000649414262 398212913 /nfs/dbraw/zinc/21/29/13/398212913.db2.gz OZLONYFVTRONBL-LLVKDONJSA-N 2 0 222.336 0.633 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000576411358 365589514 /nfs/dbraw/zinc/58/95/14/365589514.db2.gz DVGOOVIVNVHUHG-NWDGAFQWSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418378278 192030216 /nfs/dbraw/zinc/03/02/16/192030216.db2.gz ALGFSBRBCGMDBE-VHSXEESVSA-N 2 0 228.340 0.006 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)NCC1([NH3+])CCC1 ZINC000418397899 192033117 /nfs/dbraw/zinc/03/31/17/192033117.db2.gz VVUWBDJFCMFSCV-VIFPVBQESA-N 2 0 228.340 0.023 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418397135 192033123 /nfs/dbraw/zinc/03/31/23/192033123.db2.gz DAXJJMJXDXQKAS-NXEZZACHSA-N 2 0 230.356 0.252 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418380662 192030637 /nfs/dbraw/zinc/03/06/37/192030637.db2.gz KHSAYLQNYXFWAD-NXEZZACHSA-N 2 0 228.340 0.036 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418381257 192030741 /nfs/dbraw/zinc/03/07/41/192030741.db2.gz XIOYHMGLLCRQLF-GHMZBOCLSA-N 2 0 242.367 0.555 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418384043 192030948 /nfs/dbraw/zinc/03/09/48/192030948.db2.gz NWIOASMWINULJN-MNOVXSKESA-N 2 0 242.367 0.363 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000418388226 192031783 /nfs/dbraw/zinc/03/17/83/192031783.db2.gz NDCGZIPPUYCLCW-GHMZBOCLSA-N 2 0 242.367 0.235 20 0 BCADRP [NH3+][C@@H](CNC(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000418389018 192031799 /nfs/dbraw/zinc/03/17/99/192031799.db2.gz SXDPJBUYOAXKGE-NEPJUHHUSA-N 2 0 248.330 0.348 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@H]1C[NH2+]C ZINC000418388228 192031831 /nfs/dbraw/zinc/03/18/31/192031831.db2.gz NDCGZIPPUYCLCW-QWRGUYRKSA-N 2 0 242.367 0.235 20 0 BCADRP [NH3+][C@H](CNC(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000418389021 192031903 /nfs/dbraw/zinc/03/19/03/192031903.db2.gz SXDPJBUYOAXKGE-VXGBXAGGSA-N 2 0 248.330 0.348 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NC[C@H](C)C[NH2+]C ZINC000418394442 192032178 /nfs/dbraw/zinc/03/21/78/192032178.db2.gz RXGNUMJAFCFSMJ-NXEZZACHSA-N 2 0 230.356 0.139 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)NC[C@H]([NH3+])C(C)C ZINC000418394399 192032380 /nfs/dbraw/zinc/03/23/80/192032380.db2.gz RRCXLYWNIMCJOT-ZJUUUORDSA-N 2 0 230.356 0.124 20 0 BCADRP CN(CC[NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418394639 192032614 /nfs/dbraw/zinc/03/26/14/192032614.db2.gz YBSCMVRJXIUECP-NSHDSACASA-N 2 0 242.367 0.494 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418397635 192032728 /nfs/dbraw/zinc/03/27/28/192032728.db2.gz DIOWRPSODZVMDS-IWSPIJDZSA-N 2 0 216.329 0.005 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418412172 192034306 /nfs/dbraw/zinc/03/43/06/192034306.db2.gz QYNMYAGUTYMVKN-NXEZZACHSA-N 2 0 230.356 0.267 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CC[C@H]([NH3+])C1 ZINC000418413345 192034882 /nfs/dbraw/zinc/03/48/82/192034882.db2.gz QQVGUKAXHIMOOK-OUAUKWLOSA-N 2 0 240.351 0.247 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418417394 192034935 /nfs/dbraw/zinc/03/49/35/192034935.db2.gz VEFFMIXJZQRSBR-IVZWLZJFSA-N 2 0 228.340 0.150 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC(C)(C)[NH3+] ZINC000418414781 192035132 /nfs/dbraw/zinc/03/51/32/192035132.db2.gz MAEGFCKJXLINAB-RKDXNWHRSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@H](CNC(=O)CC[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000430764796 398231101 /nfs/dbraw/zinc/23/11/01/398231101.db2.gz TWULJYSJZVTCOI-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)([NH3+])CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418416304 192035216 /nfs/dbraw/zinc/03/52/16/192035216.db2.gz QCRBZZOWQBPXPS-JTQLQIEISA-N 2 0 242.367 0.540 20 0 BCADRP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](C)C1)C1CCC1 ZINC000629951139 361796168 /nfs/dbraw/zinc/79/61/68/361796168.db2.gz PTUOQIZPIPDOMG-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418440185 192035572 /nfs/dbraw/zinc/03/55/72/192035572.db2.gz GWZOESAJMYQALS-LPEHRKFASA-N 2 0 230.356 0.539 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NC(C)(C)C[NH3+] ZINC000418435961 192035602 /nfs/dbraw/zinc/03/56/02/192035602.db2.gz BFRNGEAJVYAFSY-VIFPVBQESA-N 2 0 230.356 0.540 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](C)C[NH3+] ZINC000418446591 192036677 /nfs/dbraw/zinc/03/66/77/192036677.db2.gz OCYZKKSAPNGIHM-VHSXEESVSA-N 2 0 230.356 0.398 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418443695 192036374 /nfs/dbraw/zinc/03/63/74/192036374.db2.gz VZGTUMYCSRZEMA-BDAKNGLRSA-N 2 0 230.356 0.539 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCC([NH3+])(CC)CC ZINC000418446817 192036555 /nfs/dbraw/zinc/03/65/55/192036555.db2.gz ZZLZEJACFXWVOK-SECBINFHSA-N 2 0 230.356 0.540 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000381266392 398242184 /nfs/dbraw/zinc/24/21/84/398242184.db2.gz UGACKZJWHLSCOT-KXUCPTDWSA-N 2 0 213.325 0.165 20 0 BCADRP C[N@@H+](CC(=O)NC(C)(C)C)CC1CC[NH2+]CC1 ZINC000094024300 398244053 /nfs/dbraw/zinc/24/40/53/398244053.db2.gz JKWSWPNPJWHKIN-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+][C@H]1CCCCC[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000576507434 365611475 /nfs/dbraw/zinc/61/14/75/365611475.db2.gz VGHZRIXEJLUAPS-GRYCIOLGSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC000576516878 365611748 /nfs/dbraw/zinc/61/17/48/365611748.db2.gz DRLYABIZLJYWHH-USZNOCQGSA-N 2 0 239.363 0.631 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000576519721 365616144 /nfs/dbraw/zinc/61/61/44/365616144.db2.gz FXNYITFFBMHSPI-MNOVXSKESA-N 2 0 227.352 0.428 20 0 BCADRP O=C(C[NH2+][C@@H]1CC[C@H]1C1CC1)N1CC[NH2+]CC1 ZINC000576576052 365627131 /nfs/dbraw/zinc/62/71/31/365627131.db2.gz DKDGNVPPSXTNDM-NWDGAFQWSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000669528889 488176593 /nfs/dbraw/zinc/17/65/93/488176593.db2.gz PPVRYQHALLWSKT-QXEWZRGKSA-N 2 0 240.351 0.116 20 0 BCADRP O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1CSCN1 ZINC000576585245 365632251 /nfs/dbraw/zinc/63/22/51/365632251.db2.gz RWZQQEFOLJKXHV-ZJUUUORDSA-N 2 0 243.376 0.297 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C)C1CC[NH+](C)CC1 ZINC000069838817 398248987 /nfs/dbraw/zinc/24/89/87/398248987.db2.gz ZIUZUJSECMTCOG-JTQLQIEISA-N 2 0 227.352 0.666 20 0 BCADRP CC1(C(=O)N2CC3CCC2(C[NH3+])CC3)C[NH2+]C1 ZINC000576593654 365634965 /nfs/dbraw/zinc/63/49/65/365634965.db2.gz PRXRRTUJPCUYKU-UHFFFAOYSA-N 2 0 237.347 0.326 20 0 BCADRP C[NH+](C)CCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418432354 192037680 /nfs/dbraw/zinc/03/76/80/192037680.db2.gz UFNJHTUDHDCPRH-MNOVXSKESA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000418461958 192038081 /nfs/dbraw/zinc/03/80/81/192038081.db2.gz AXQTWYRMVKPSKG-SNVBAGLBSA-N 2 0 242.367 0.317 20 0 BCADRP CCOC[C@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000381603459 398254283 /nfs/dbraw/zinc/25/42/83/398254283.db2.gz OVTDLFWDNXOODW-NEPJUHHUSA-N 2 0 212.337 0.954 20 0 BCADRP Cc1c[nH+]ccc1N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000580903393 398250860 /nfs/dbraw/zinc/25/08/60/398250860.db2.gz SRGJKTJSCFBJQU-QWRGUYRKSA-N 2 0 246.314 0.138 20 0 BCADRP CO[C@@H](C[NH3+])CC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000576635881 365645238 /nfs/dbraw/zinc/64/52/38/365645238.db2.gz ICHLBZJKVCLLIJ-GFCCVEGCSA-N 2 0 249.314 0.592 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1CCC[NH2+]1 ZINC000576644347 365646999 /nfs/dbraw/zinc/64/69/99/365646999.db2.gz FXBFSKLBGLZENB-AKJDGMEZSA-N 2 0 237.347 0.468 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000220011758 136230510 /nfs/dbraw/zinc/23/05/10/136230510.db2.gz SJWXHBNEDOMPSW-NSHDSACASA-N 2 0 241.379 0.690 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000381413373 398256348 /nfs/dbraw/zinc/25/63/48/398256348.db2.gz UCPCMEWQQCWLRG-KOLCDFICSA-N 2 0 213.325 0.039 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000576702143 365663466 /nfs/dbraw/zinc/66/34/66/365663466.db2.gz MVQUJUQFRVALGV-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000381462477 398258752 /nfs/dbraw/zinc/25/87/52/398258752.db2.gz LMYAIIPLTZEFNI-UTLUCORTSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CC1([NH3+])CCC1 ZINC000381713255 398254877 /nfs/dbraw/zinc/25/48/77/398254877.db2.gz KQPCQCLWLGIYSC-IUCAKERBSA-N 2 0 211.309 0.206 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C2([NH3+])CCC2)C1 ZINC000576754672 365676895 /nfs/dbraw/zinc/67/68/95/365676895.db2.gz XINOWZMMSROOLS-IUCAKERBSA-N 2 0 211.309 0.111 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000576753196 365677012 /nfs/dbraw/zinc/67/70/12/365677012.db2.gz CQUDDCXEPKOFCT-HBNTYKKESA-N 2 0 227.352 0.489 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000418471422 192039129 /nfs/dbraw/zinc/03/91/29/192039129.db2.gz MDVNUGUVETZJSL-NSHDSACASA-N 2 0 242.367 0.317 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NCC[NH+](C)C ZINC000418477523 192039669 /nfs/dbraw/zinc/03/96/69/192039669.db2.gz XXINIISAVSQIKX-JTQLQIEISA-N 2 0 230.356 0.365 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000418484663 192040025 /nfs/dbraw/zinc/04/00/25/192040025.db2.gz GSJKHKZUWHZQPN-GARJFASQSA-N 2 0 242.367 0.315 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000130530314 398269177 /nfs/dbraw/zinc/26/91/77/398269177.db2.gz NOBNJLNNGAMAKA-HBNTYKKESA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000381708834 398270620 /nfs/dbraw/zinc/27/06/20/398270620.db2.gz JXVFPKCMAOZGIJ-QWRGUYRKSA-N 3 0 211.353 0.655 20 0 BCADRP C[C@@H]([NH2+]C[C@H](C)O)C1CC[NH+](C)CC1 ZINC000035601381 538957310 /nfs/dbraw/zinc/95/73/10/538957310.db2.gz RIKFNDWLTBDHAJ-VHSXEESVSA-N 2 0 200.326 0.687 20 0 BCADRP C[C@@H]([NH2+][C@@H](C)CO)C1CC[NH+](C)CC1 ZINC000035602119 538957508 /nfs/dbraw/zinc/95/75/08/538957508.db2.gz HPUKCTQXSLQZMR-VHSXEESVSA-N 2 0 200.326 0.687 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCC[NH3+] ZINC000669529849 488178607 /nfs/dbraw/zinc/17/86/07/488178607.db2.gz GSHBNPMMNBNMJZ-JTQLQIEISA-N 2 0 228.340 0.119 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCCCC[NH+](C)C ZINC000165403178 361839690 /nfs/dbraw/zinc/83/96/90/361839690.db2.gz ALQNSXDUAJJCTB-VHSXEESVSA-N 2 0 215.341 0.428 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC(C)(C)[NH+](C)C ZINC000165351768 361837634 /nfs/dbraw/zinc/83/76/34/361837634.db2.gz NTHFFVAXSFVYIB-DTWKUNHWSA-N 2 0 215.341 0.426 20 0 BCADRP CCC[NH2+]CCNC(=O)NC[C@@H](C)[NH2+]CC ZINC000418487112 192041222 /nfs/dbraw/zinc/04/12/22/192041222.db2.gz HLKUYPFOJRVXSG-SNVBAGLBSA-N 2 0 230.356 0.283 20 0 BCADRP C[NH2+]CC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000381835933 398274889 /nfs/dbraw/zinc/27/48/89/398274889.db2.gz OTBJZFSOMRLMGI-LBPRGKRZSA-N 3 0 211.353 0.527 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NCCC[NH3+] ZINC000669530089 488178704 /nfs/dbraw/zinc/17/87/04/488178704.db2.gz PXOOEESUAYKJHY-LLVKDONJSA-N 2 0 242.367 0.509 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418485621 192040990 /nfs/dbraw/zinc/04/09/90/192040990.db2.gz HFVGJSFQVFPEAB-VHSXEESVSA-N 2 0 228.340 0.023 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418485620 192040999 /nfs/dbraw/zinc/04/09/99/192040999.db2.gz HFVGJSFQVFPEAB-NXEZZACHSA-N 2 0 228.340 0.023 20 0 BCADRP [NH3+][C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000418487556 192041059 /nfs/dbraw/zinc/04/10/59/192041059.db2.gz LOPSEMIQHXJKOY-GMTAPVOTSA-N 2 0 240.351 0.293 20 0 BCADRP O[C@@H](C[NH2+][C@@H]1CCSC1)C[NH+]1CCCC1 ZINC000166813943 361858212 /nfs/dbraw/zinc/85/82/12/361858212.db2.gz UXLPJMGKDSMZBV-MNOVXSKESA-N 2 0 230.377 0.538 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418493911 192042535 /nfs/dbraw/zinc/04/25/35/192042535.db2.gz ZGBYXKOKYVCPSR-WDEREUQCSA-N 2 0 242.367 0.555 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000335604998 136235854 /nfs/dbraw/zinc/23/58/54/136235854.db2.gz FBBXZXNCIPGWSL-MNOVXSKESA-N 2 0 240.351 0.261 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418493177 192041393 /nfs/dbraw/zinc/04/13/93/192041393.db2.gz XPRJECFDEFRNSR-WDEREUQCSA-N 2 0 242.367 0.283 20 0 BCADRP CCC[NH2+]CCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418489603 192041402 /nfs/dbraw/zinc/04/14/02/192041402.db2.gz OBPUKRFADRZMHQ-JTQLQIEISA-N 2 0 228.340 0.023 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418491930 192041430 /nfs/dbraw/zinc/04/14/30/192041430.db2.gz TUZIFBHSGRDVEE-GHMZBOCLSA-N 2 0 242.367 0.283 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418490488 192041456 /nfs/dbraw/zinc/04/14/56/192041456.db2.gz PVAKFOUOVVZLSB-MNOVXSKESA-N 2 0 242.367 0.413 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000418490113 192041515 /nfs/dbraw/zinc/04/15/15/192041515.db2.gz MUYDCQLUCJZNDR-JTQLQIEISA-N 2 0 242.367 0.270 20 0 BCADRP CCC[NH2+]CCNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000418491390 192041664 /nfs/dbraw/zinc/04/16/64/192041664.db2.gz RVNOVTPXXDPEGL-GHMZBOCLSA-N 2 0 242.367 0.365 20 0 BCADRP CCC[NH2+]CCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418489604 192041902 /nfs/dbraw/zinc/04/19/02/192041902.db2.gz OBPUKRFADRZMHQ-SNVBAGLBSA-N 2 0 228.340 0.023 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418490494 192041956 /nfs/dbraw/zinc/04/19/56/192041956.db2.gz PVAKFOUOVVZLSB-WDEREUQCSA-N 2 0 242.367 0.413 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000418494803 192042020 /nfs/dbraw/zinc/04/20/20/192042020.db2.gz SWOUWNXSMIKKBO-UWVGGRQHSA-N 2 0 228.340 0.104 20 0 BCADRP [NH3+]CCCN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000165684228 361844706 /nfs/dbraw/zinc/84/47/06/361844706.db2.gz XDCAMHRLQYZENI-ZDUSSCGKSA-N 2 0 219.332 0.982 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000418496531 192042448 /nfs/dbraw/zinc/04/24/48/192042448.db2.gz VKFSXLJWSATHSC-MNOVXSKESA-N 2 0 242.367 0.317 20 0 BCADRP O=C1CCCN1CCN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000335131336 398280976 /nfs/dbraw/zinc/28/09/76/398280976.db2.gz UCZRAVLEEYQYDR-RYUDHWBXSA-N 2 0 237.347 0.150 20 0 BCADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000517742430 342746034 /nfs/dbraw/zinc/74/60/34/342746034.db2.gz DZAVOMHXKHOWIH-MXWKQRLJSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000583331687 342735227 /nfs/dbraw/zinc/73/52/27/342735227.db2.gz LDAOZOXFTMWQFI-UNXYVOJBSA-N 2 0 239.363 0.727 20 0 BCADRP CCN(C)C(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000231841722 342739975 /nfs/dbraw/zinc/73/99/75/342739975.db2.gz UVBDZBXVOBMXEM-AXFHLTTASA-N 2 0 227.352 0.713 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000605331992 342752822 /nfs/dbraw/zinc/75/28/22/342752822.db2.gz WPPWSHBSKIJTDQ-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC000630007090 361891580 /nfs/dbraw/zinc/89/15/80/361891580.db2.gz AOGFIIQTJXJRTC-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP [NH3+][C@H](CNC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000418451179 192042747 /nfs/dbraw/zinc/04/27/47/192042747.db2.gz MQUDVDXGLTVLHX-GFCCVEGCSA-N 2 0 248.330 0.301 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000518180198 398282259 /nfs/dbraw/zinc/28/22/59/398282259.db2.gz QJKKQMZVBXKQJN-LBPRGKRZSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000418509223 192044806 /nfs/dbraw/zinc/04/48/06/192044806.db2.gz GCTRARXDSMOJPM-IVZWLZJFSA-N 2 0 228.340 0.102 20 0 BCADRP C[C@H](C[NH3+])NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000418508404 192044814 /nfs/dbraw/zinc/04/48/14/192044814.db2.gz DTYLWJLMENGWFH-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CC[NH2+]CC1 ZINC000630047879 361915562 /nfs/dbraw/zinc/91/55/62/361915562.db2.gz KCVDNJKZJQRBND-ONGXEEELSA-N 2 0 240.351 0.036 20 0 BCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH3+])C1 ZINC000335438631 398288181 /nfs/dbraw/zinc/28/81/81/398288181.db2.gz TUYJVEMXPNLSOC-WDEREUQCSA-N 2 0 225.336 0.278 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC1CC[NH2+]CC1 ZINC000630047878 361916475 /nfs/dbraw/zinc/91/64/75/361916475.db2.gz KCVDNJKZJQRBND-MWLCHTKSSA-N 2 0 240.351 0.036 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)NC2CC[NH2+]CC2)CC[NH2+]1 ZINC000630048475 361917381 /nfs/dbraw/zinc/91/73/81/361917381.db2.gz ZXWYCBKPYMCSAC-MWLCHTKSSA-N 2 0 240.351 0.178 20 0 BCADRP Cc1cc(NCC[N@@H+]2CC[C@@H](O)C2)cc[nH+]1 ZINC000624680781 342818606 /nfs/dbraw/zinc/81/86/06/342818606.db2.gz MJQFWWKVBSWFGS-GFCCVEGCSA-N 2 0 221.304 0.290 20 0 BCADRP [NH3+]C1CCC(NC(=O)NC2CC[NH2+]CC2)CC1 ZINC000630054733 361920034 /nfs/dbraw/zinc/92/00/34/361920034.db2.gz GNMXZLXEOVBECA-UHFFFAOYSA-N 2 0 240.351 0.308 20 0 BCADRP C[C@@H]1C[C@H](N(C)C(=O)C2([NH3+])CCC2)CC[N@@H+]1C ZINC000335464743 398289777 /nfs/dbraw/zinc/28/97/77/398289777.db2.gz METUWCLVXVMRKB-GHMZBOCLSA-N 2 0 239.363 0.809 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@H](C)C[NH3+] ZINC000418516270 192046443 /nfs/dbraw/zinc/04/64/43/192046443.db2.gz RQHWVVAIJHCLTI-ZJUUUORDSA-N 2 0 228.340 0.117 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164350 398294103 /nfs/dbraw/zinc/29/41/03/398294103.db2.gz WVTWMOCBLLQVCN-FGNRJIRKSA-N 2 0 239.363 0.855 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000418522497 192047218 /nfs/dbraw/zinc/04/72/18/192047218.db2.gz JFXRIWFTBOXIQR-MXWKQRLJSA-N 2 0 242.367 0.458 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322363034 488182704 /nfs/dbraw/zinc/18/27/04/488182704.db2.gz BSZQWOYYFYUDIJ-GYIHNLGQSA-N 2 0 225.336 0.465 20 0 BCADRP COC[C@@](C)(O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000382568829 539010010 /nfs/dbraw/zinc/01/00/10/539010010.db2.gz PTVWODRQJQCQAU-YPMHNXCESA-N 2 0 244.379 0.704 20 0 BCADRP COC[C@@](C)(O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000382568823 539010032 /nfs/dbraw/zinc/01/00/32/539010032.db2.gz PTVWODRQJQCQAU-AAEUAGOBSA-N 2 0 244.379 0.704 20 0 BCADRP CCN1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000011754717 342843085 /nfs/dbraw/zinc/84/30/85/342843085.db2.gz ZZHYBMWDGJSWCA-ZDUSSCGKSA-N 2 0 247.342 0.851 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000418527100 192047545 /nfs/dbraw/zinc/04/75/45/192047545.db2.gz NPBGJOQCVFKQFX-OPRDCNLKSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000418527097 192047562 /nfs/dbraw/zinc/04/75/62/192047562.db2.gz NPBGJOQCVFKQFX-AEJSXWLSSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCC[NH3+] ZINC000417883466 398299191 /nfs/dbraw/zinc/29/91/91/398299191.db2.gz WKNQLZXQSGSYFI-GXSJLCMTSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000300359271 259326976 /nfs/dbraw/zinc/32/69/76/259326976.db2.gz IIQVLAGHDAFYGW-HBNTYKKESA-N 2 0 225.336 0.195 20 0 BCADRP COc1cncc(CN2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000625103450 342858616 /nfs/dbraw/zinc/85/86/16/342858616.db2.gz YQHHDINJZMHVLI-AOOOYVTPSA-N 2 0 234.303 0.136 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC ZINC000309775078 342894823 /nfs/dbraw/zinc/89/48/23/342894823.db2.gz LLFCTMAUORXYPC-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)CC[NH2+]C2CC2)[C@@H]1C ZINC000584004268 342899973 /nfs/dbraw/zinc/89/99/73/342899973.db2.gz FYWJJVNSEBMPJW-NXEZZACHSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]1CCN(C(=O)CC[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000584004200 342899995 /nfs/dbraw/zinc/89/99/95/342899995.db2.gz CUXIHEOQRICIHZ-GHMZBOCLSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H](CNC(=O)C[NH2+]CC1CC1)[N@H+](C)C1CC1 ZINC000167339724 136245466 /nfs/dbraw/zinc/24/54/66/136245466.db2.gz ALRLVBSBMRAOPZ-JTQLQIEISA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)(C[NH3+])NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418554521 192050274 /nfs/dbraw/zinc/05/02/74/192050274.db2.gz VPHKZWYCTHURAK-LBPRGKRZSA-N 2 0 242.367 0.413 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000418556563 192050285 /nfs/dbraw/zinc/05/02/85/192050285.db2.gz AOEYGZXBPTYHDF-NSHDSACASA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418553382 192050386 /nfs/dbraw/zinc/05/03/86/192050386.db2.gz CNPVGCMJBDDSSU-NAKRPEOUSA-N 2 0 240.351 0.116 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)[C@@H](C)[NH3+])CC1 ZINC000036135358 342893100 /nfs/dbraw/zinc/89/31/00/342893100.db2.gz BTMHZRRFMOXLFZ-SECBINFHSA-N 2 0 213.325 0.276 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CCN(C4CC4)C3=O)C[C@H]12 ZINC000351474769 136245932 /nfs/dbraw/zinc/24/59/32/136245932.db2.gz GRZDOUNXLITWFK-GWNIPJSYSA-N 2 0 249.358 0.419 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000418562375 192050785 /nfs/dbraw/zinc/05/07/85/192050785.db2.gz GCTRARXDSMOJPM-KXUCPTDWSA-N 2 0 228.340 0.102 20 0 BCADRP C[C@@]1(CNC(=O)C2([NH3+])CCCC2)CCC[NH2+]C1 ZINC000336597453 398322959 /nfs/dbraw/zinc/32/29/59/398322959.db2.gz WVJCMWVYBXTLNN-GFCCVEGCSA-N 2 0 239.363 0.764 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000418562377 192051237 /nfs/dbraw/zinc/05/12/37/192051237.db2.gz GCTRARXDSMOJPM-UTLUCORTSA-N 2 0 228.340 0.102 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000234355846 342921846 /nfs/dbraw/zinc/92/18/46/342921846.db2.gz VOMKNNXBMKAMLU-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418573423 192052175 /nfs/dbraw/zinc/05/21/75/192052175.db2.gz LICIZWCMXRVYIK-AXFHLTTASA-N 2 0 242.367 0.411 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418580095 192053103 /nfs/dbraw/zinc/05/31/03/192053103.db2.gz SHXLCCBGQRPWNT-GUBZILKMSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H](C)[NH3+] ZINC000036999082 342915092 /nfs/dbraw/zinc/91/50/92/342915092.db2.gz PIRKIVSQAIRCTO-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023801 342916332 /nfs/dbraw/zinc/91/63/32/342916332.db2.gz SZPAPAYGOCOIHD-IVZWLZJFSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000418579436 192052749 /nfs/dbraw/zinc/05/27/49/192052749.db2.gz JVQIDQZFSXVKSL-MXWKQRLJSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H]1CN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000418579231 192052892 /nfs/dbraw/zinc/05/28/92/192052892.db2.gz JVQIDQZFSXVKSL-AXFHLTTASA-N 2 0 240.351 0.260 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418571589 192051971 /nfs/dbraw/zinc/05/19/71/192051971.db2.gz DOORDZFGUGIXJU-GUBZILKMSA-N 2 0 228.340 0.293 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418571591 192051998 /nfs/dbraw/zinc/05/19/98/192051998.db2.gz DOORDZFGUGIXJU-LPEHRKFASA-N 2 0 228.340 0.293 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)C[NH3+])C[C@H]1C ZINC000418583830 192053569 /nfs/dbraw/zinc/05/35/69/192053569.db2.gz ATXJBCXALGQJGT-AXFHLTTASA-N 2 0 242.367 0.458 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418587984 192053608 /nfs/dbraw/zinc/05/36/08/192053608.db2.gz HKILBIYLKISUCM-MWLCHTKSSA-N 2 0 242.367 0.493 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000418598087 192054116 /nfs/dbraw/zinc/05/41/16/192054116.db2.gz FWSXNFXMFQNTTH-WDEREUQCSA-N 2 0 244.383 0.801 20 0 BCADRP CC(C)([NH3+])CC(=O)NCC[N@H+]1CC=CCC1 ZINC000392940437 398336321 /nfs/dbraw/zinc/33/63/21/398336321.db2.gz ZWHQKBGHOBYJLI-UHFFFAOYSA-N 2 0 225.336 0.492 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)N(C)CCC[NH3+] ZINC000561159717 398337958 /nfs/dbraw/zinc/33/79/58/398337958.db2.gz YDMFKNZPHHJJTH-UHFFFAOYSA-N 2 0 244.383 0.709 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)NCC(C)(C)[NH3+] ZINC000561208499 398338469 /nfs/dbraw/zinc/33/84/69/398338469.db2.gz JHPQDGXYDIWAQW-UHFFFAOYSA-N 2 0 230.356 0.411 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccncc1 ZINC000037632037 398333323 /nfs/dbraw/zinc/33/33/23/398333323.db2.gz HNFRKQJVASCQRO-UHFFFAOYSA-N 2 0 234.347 0.419 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000418595111 192055441 /nfs/dbraw/zinc/05/54/41/192055441.db2.gz WTYIQUQEBBYHMR-GMTAPVOTSA-N 2 0 240.351 0.389 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC[NH+](C)C ZINC000037481169 342938053 /nfs/dbraw/zinc/93/80/53/342938053.db2.gz NLIDAHSZGVWGRO-JTQLQIEISA-N 2 0 201.314 0.182 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000037826123 398334799 /nfs/dbraw/zinc/33/47/99/398334799.db2.gz VMSCTBUWJIZWRB-JTQLQIEISA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000040460107 259332057 /nfs/dbraw/zinc/33/20/57/259332057.db2.gz BVDCOYSKJXVCHI-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037904465 398335189 /nfs/dbraw/zinc/33/51/89/398335189.db2.gz QILUGIKPGFAOMH-ZYHUDNBSSA-N 2 0 212.337 0.831 20 0 BCADRP CC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037904463 398335212 /nfs/dbraw/zinc/33/52/12/398335212.db2.gz QILUGIKPGFAOMH-CMPLNLGQSA-N 2 0 212.337 0.831 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1CCC[C@H]1C[NH2+]C ZINC000418607959 192055963 /nfs/dbraw/zinc/05/59/63/192055963.db2.gz YIXYTEDKLNIWHN-MNOVXSKESA-N 2 0 242.367 0.378 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@H](C)[NH3+] ZINC000380272356 398339962 /nfs/dbraw/zinc/33/99/62/398339962.db2.gz WRORGXVMHXERTD-QMMMGPOBSA-N 2 0 201.314 0.215 20 0 BCADRP CC[C@H]1C[N@H+](CCOCC[NH3+])CC[C@@H]1[NH3+] ZINC000381308676 398340609 /nfs/dbraw/zinc/34/06/09/398340609.db2.gz KSRCJIBGGUUIIQ-QWRGUYRKSA-N 3 0 215.341 0.021 20 0 BCADRP [NH3+]C1(CC(=O)NCCC[NH2+]C2CC2)CCC1 ZINC000648202508 398344590 /nfs/dbraw/zinc/34/45/90/398344590.db2.gz HVOHZRJHFVNCLD-UHFFFAOYSA-N 2 0 225.336 0.516 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000580314402 346896726 /nfs/dbraw/zinc/89/67/26/346896726.db2.gz PYIJYOQGLZPGPF-UTLUCORTSA-N 2 0 213.325 0.215 20 0 BCADRP CSC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000580314452 346897010 /nfs/dbraw/zinc/89/70/10/346897010.db2.gz SQMSBNYJMSNCSP-ZYHUDNBSSA-N 2 0 244.404 0.784 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351830769 136256396 /nfs/dbraw/zinc/25/63/96/136256396.db2.gz UCBFLNXGUMRJEQ-MNOVXSKESA-N 2 0 241.379 0.947 20 0 BCADRP Cc1ccc(C[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000040537886 342968675 /nfs/dbraw/zinc/96/86/75/342968675.db2.gz JWFNRWHUNKNCCF-UHFFFAOYSA-N 2 0 233.359 0.990 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000353448432 187208773 /nfs/dbraw/zinc/20/87/73/187208773.db2.gz MMHVKVJEOWMQER-WOPDTQHZSA-N 2 0 241.379 0.687 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000354574509 187209905 /nfs/dbraw/zinc/20/99/05/187209905.db2.gz GYHKJHGXKHWBOL-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000518179738 259338287 /nfs/dbraw/zinc/33/82/87/259338287.db2.gz DBZIAFAWLHPLHM-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000357796943 187214285 /nfs/dbraw/zinc/21/42/85/187214285.db2.gz QEXBOFUWRCLQER-ZYHUDNBSSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)N1CC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000359298651 187216220 /nfs/dbraw/zinc/21/62/20/187216220.db2.gz FOSQTHAGOSQFIC-GRYCIOLGSA-N 2 0 237.347 0.147 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044808427 343008111 /nfs/dbraw/zinc/00/81/11/343008111.db2.gz NRELEFTYOFIPFP-NXEZZACHSA-N 2 0 213.325 0.039 20 0 BCADRP Cc1nccn1CCCN(C)Cc1nncn1C ZINC000162609090 349767146 /nfs/dbraw/zinc/76/71/46/349767146.db2.gz HRMYAYNIOSHMPM-UHFFFAOYSA-N 2 0 248.334 0.842 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000562809213 323031145 /nfs/dbraw/zinc/03/11/45/323031145.db2.gz CXTPKVWRDCFVJI-WISYIIOYSA-N 2 0 239.363 0.428 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373054360 187223084 /nfs/dbraw/zinc/22/30/84/187223084.db2.gz VSDPKSBJGHDNJE-NEPJUHHUSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)c1nc(C2([NH3+])CCC2)no1 ZINC000309448997 259343300 /nfs/dbraw/zinc/34/33/00/259343300.db2.gz MCVOOEQMLGXDTB-NKWVEPMBSA-N 2 0 210.281 0.858 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@H]1CC[NH2+]C1 ZINC000576822562 365694119 /nfs/dbraw/zinc/69/41/19/365694119.db2.gz KOJHYXAXJBCZSH-IDSCEKSVSA-N 2 0 237.347 0.228 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C(C)(C)C[NH3+] ZINC000309834162 343063147 /nfs/dbraw/zinc/06/31/47/343063147.db2.gz ZNNBDAWICYZIAJ-UHFFFAOYSA-N 2 0 215.341 0.476 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000118975673 343064477 /nfs/dbraw/zinc/06/44/77/343064477.db2.gz FAETYJKDCBNOMF-PWSUYJOCSA-N 2 0 225.336 0.339 20 0 BCADRP CC[C@@](C)([NH3+])c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000584880931 343081504 /nfs/dbraw/zinc/08/15/04/343081504.db2.gz BEKQRQFSQISPAF-PSASIEDQSA-N 2 0 209.297 0.396 20 0 BCADRP C(CN1CC[NH2+]CC1)[NH2+]C(C1CC1)C1CC1 ZINC000049237847 343096916 /nfs/dbraw/zinc/09/69/16/343096916.db2.gz OXLSSRQXUCWWSF-UHFFFAOYSA-N 2 0 223.364 0.670 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C1CC[NH2+]CC1 ZINC000236797107 343111112 /nfs/dbraw/zinc/11/11/12/343111112.db2.gz QCHCKDYYAZSSJO-NSHDSACASA-N 2 0 227.352 0.620 20 0 BCADRP CNC(=O)CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000398309988 343118004 /nfs/dbraw/zinc/11/80/04/343118004.db2.gz XHDGAHLFBDFAAK-NXEZZACHSA-N 2 0 213.325 0.372 20 0 BCADRP CC[NH2+]Cc1ccccc1NC(=O)C[NH2+]C ZINC000237045437 343122066 /nfs/dbraw/zinc/12/20/66/343122066.db2.gz UHOHLASZMRFWFQ-UHFFFAOYSA-N 2 0 221.304 0.954 20 0 BCADRP C[NH2+]CCNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000237049700 343122075 /nfs/dbraw/zinc/12/20/75/343122075.db2.gz RHNPWMQOVAPTJV-MNOVXSKESA-N 2 0 227.352 0.348 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000237059463 343122394 /nfs/dbraw/zinc/12/23/94/343122394.db2.gz RSBQWDKSULRVKD-GZMMTYOYSA-N 2 0 213.325 0.086 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000236888778 343113841 /nfs/dbraw/zinc/11/38/41/343113841.db2.gz BFWNHEJYUSAWNA-WOPDTQHZSA-N 2 0 241.379 0.818 20 0 BCADRP CC(=O)N1CCC([NH2+][C@H](C)CC[NH+](C)C)CC1 ZINC000049553992 187233034 /nfs/dbraw/zinc/23/30/34/187233034.db2.gz XJZGKONTFGCEIU-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000237555465 343147935 /nfs/dbraw/zinc/14/79/35/343147935.db2.gz LNYHFCCJZCFORA-MFKMUULPSA-N 2 0 247.342 0.584 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C[NH2+]CCOC ZINC000092509848 343148249 /nfs/dbraw/zinc/14/82/49/343148249.db2.gz LNHVFXQSUQKONU-UHFFFAOYSA-N 2 0 245.367 0.023 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000092950488 343148534 /nfs/dbraw/zinc/14/85/34/343148534.db2.gz FVFCUTADTXIIIY-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000237125231 343126830 /nfs/dbraw/zinc/12/68/30/343126830.db2.gz YGURNYYKGSRVQT-UWVGGRQHSA-N 2 0 245.392 0.053 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000237150640 343126897 /nfs/dbraw/zinc/12/68/97/343126897.db2.gz VNCAGELQLRYJFE-WCQYABFASA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000237212835 343131060 /nfs/dbraw/zinc/13/10/60/343131060.db2.gz IZUZUEIURVTPOD-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000092956242 343149717 /nfs/dbraw/zinc/14/97/17/343149717.db2.gz HTCKKOVSIDOEPS-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237320291 343134887 /nfs/dbraw/zinc/13/48/87/343134887.db2.gz CNUWNMHXCATPFD-YEJSDXFRSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+]CCCCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000131126540 343182487 /nfs/dbraw/zinc/18/24/87/343182487.db2.gz ZTLILDNYLJRMJI-UHFFFAOYSA-N 2 0 233.315 0.759 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCCC[NH3+] ZINC000576942144 365728475 /nfs/dbraw/zinc/72/84/75/365728475.db2.gz XXCNXCIZVACDEG-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237619255 343158999 /nfs/dbraw/zinc/15/89/99/343158999.db2.gz QWANJNYXEBMRCX-OPRDCNLKSA-N 2 0 213.325 0.310 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000124624579 343163250 /nfs/dbraw/zinc/16/32/50/343163250.db2.gz YSBIUZDSTQZERN-NSHDSACASA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)NC1CCCC1 ZINC000124585800 343163645 /nfs/dbraw/zinc/16/36/45/343163645.db2.gz ZYAIFNHCVWWOKP-GHMZBOCLSA-N 2 0 239.363 0.857 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000129080916 343176181 /nfs/dbraw/zinc/17/61/81/343176181.db2.gz XPYQBTPMGIMFMN-QJPTWQEYSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCC1 ZINC000148271072 343195913 /nfs/dbraw/zinc/19/59/13/343195913.db2.gz SQINGTHWGPOOME-NSHDSACASA-N 2 0 237.347 0.565 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCCc1ncc[nH]1 ZINC000158544262 343200919 /nfs/dbraw/zinc/20/09/19/343200919.db2.gz JAYIIKYYFTWVRN-UHFFFAOYSA-N 2 0 224.308 0.457 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000158919817 343201444 /nfs/dbraw/zinc/20/14/44/343201444.db2.gz WWXNJIOUJQTYPR-WDEREUQCSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@H](CNC(=O)C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC000161051095 343203924 /nfs/dbraw/zinc/20/39/24/343203924.db2.gz IIKKXGGJSNUQEH-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP COC[C@H](C)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000163553490 343206863 /nfs/dbraw/zinc/20/68/63/343206863.db2.gz ZTRNBBWYRMZPQO-OUAUKWLOSA-N 2 0 200.326 0.938 20 0 BCADRP C[NH+](C)CC(=O)N1CCC(CC[NH3+])CC1 ZINC000167950705 343210182 /nfs/dbraw/zinc/21/01/82/343210182.db2.gz RXDAUDZIPHCGHR-UHFFFAOYSA-N 2 0 213.325 0.135 20 0 BCADRP O=C(CC[C@H]1CCC[NH2+]C1)N1CCC[NH2+]CC1 ZINC000043588269 343225390 /nfs/dbraw/zinc/22/53/90/343225390.db2.gz GGJZWAXVZRGFBU-GFCCVEGCSA-N 2 0 239.363 0.588 20 0 BCADRP C[C@]1(CN2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000310037681 343226922 /nfs/dbraw/zinc/22/69/22/343226922.db2.gz VJPLVOXMAQXPOK-TUAOUCFPSA-N 3 0 209.337 0.137 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000087471800 136281511 /nfs/dbraw/zinc/28/15/11/136281511.db2.gz FNRJDCMZKKFZHC-GFCCVEGCSA-N 2 0 227.352 0.444 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418695545 192061646 /nfs/dbraw/zinc/06/16/46/192061646.db2.gz JMDNDCFUPMNIEP-OUAUKWLOSA-N 2 0 244.383 0.737 20 0 BCADRP C[NH2+]CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000088091217 136284381 /nfs/dbraw/zinc/28/43/81/136284381.db2.gz SXHIALZJKHAQMU-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000238064758 343239264 /nfs/dbraw/zinc/23/92/64/343239264.db2.gz BNOGDVGPIXOONF-WCQYABFASA-N 2 0 245.326 0.433 20 0 BCADRP C[N@@H+](Cc1cccc2ncccc12)C[C@H](O)C[NH3+] ZINC000634687863 343245099 /nfs/dbraw/zinc/24/50/99/343245099.db2.gz BLNHRKVNPZYALG-GFCCVEGCSA-N 2 0 245.326 0.986 20 0 BCADRP C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000634688008 343245876 /nfs/dbraw/zinc/24/58/76/343245876.db2.gz FICKOOAVIZZABF-SDDRHHMPSA-N 2 0 210.321 0.564 20 0 BCADRP Cn1nccc1CC[NH2+]CC1([NH3+])CCC1 ZINC000634688285 343246582 /nfs/dbraw/zinc/24/65/82/343246582.db2.gz NVXSHEGUHLWFCG-UHFFFAOYSA-N 2 0 208.309 0.434 20 0 BCADRP C[C@H]1CC[C@H](C[NH2+]C2(CO)CC[NH2+]CC2)O1 ZINC000634688312 343247157 /nfs/dbraw/zinc/24/71/57/343247157.db2.gz PBLYUSRGQZSHNI-WDEREUQCSA-N 2 0 228.336 0.258 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000131941829 343259279 /nfs/dbraw/zinc/25/92/79/343259279.db2.gz BDWQYOIUVZQQCM-JTQLQIEISA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000418703081 192062530 /nfs/dbraw/zinc/06/25/30/192062530.db2.gz BENWIVWUXIQQKN-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000121333387 343265171 /nfs/dbraw/zinc/26/51/71/343265171.db2.gz HZBMMSYYVDRPJX-RYUDHWBXSA-N 2 0 241.379 0.738 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000121713731 343273911 /nfs/dbraw/zinc/27/39/11/343273911.db2.gz RNTNEBJGUVWHAP-ZDUSSCGKSA-N 2 0 247.342 0.599 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@H]1CCC[C@@H]1[NH3+] ZINC000340083594 136286042 /nfs/dbraw/zinc/28/60/42/136286042.db2.gz UTSIXSIKPSZILP-UTUOFQBUSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000036908625 343327573 /nfs/dbraw/zinc/32/75/73/343327573.db2.gz KDHJJDXICLPTGG-LMLFDSFASA-N 2 0 200.326 0.686 20 0 BCADRP Cc1nccn1CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000348750801 136296836 /nfs/dbraw/zinc/29/68/36/136296836.db2.gz PTOJJDSSTAGJJQ-CHWSQXEVSA-N 2 0 234.347 0.733 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC1CC[NH+](C)CC1 ZINC000069839112 343292390 /nfs/dbraw/zinc/29/23/90/343292390.db2.gz KLPDCSAUXRTKOX-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089240 187255147 /nfs/dbraw/zinc/25/51/47/187255147.db2.gz QMZHSJOYNSSBNM-ZJUUUORDSA-N 2 0 215.341 0.426 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000052062732 343300097 /nfs/dbraw/zinc/30/00/97/343300097.db2.gz SYRDUMASZNEJNX-GFCCVEGCSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000584051626 343306952 /nfs/dbraw/zinc/30/69/52/343306952.db2.gz ITJGETIMAZNMRN-GUBZILKMSA-N 2 0 230.356 0.362 20 0 BCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000335613224 136295719 /nfs/dbraw/zinc/29/57/19/136295719.db2.gz TWICHOCDOZZTIA-WDEREUQCSA-N 2 0 240.351 0.084 20 0 BCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000335613222 136295768 /nfs/dbraw/zinc/29/57/68/136295768.db2.gz TWICHOCDOZZTIA-MNOVXSKESA-N 2 0 240.351 0.084 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621373560 343316705 /nfs/dbraw/zinc/31/67/05/343316705.db2.gz KUWWGSKRVVDUBZ-UPJWGTAASA-N 2 0 244.379 0.249 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]([NH3+])Cc1ccccc1)[NH+](C)C ZINC000038089226 343370355 /nfs/dbraw/zinc/37/03/55/343370355.db2.gz LCGLZGUTFIYPSW-AAEUAGOBSA-N 2 0 249.358 0.623 20 0 BCADRP CCC[C@H](C(=O)NCCCC[NH3+])[NH+](C)C ZINC000569843622 323042657 /nfs/dbraw/zinc/04/26/57/323042657.db2.gz HRRAIQARCLVUIJ-SNVBAGLBSA-N 2 0 215.341 0.572 20 0 BCADRP C[NH+]1CCC(NC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000037266955 343342330 /nfs/dbraw/zinc/34/23/30/343342330.db2.gz BSDBAOGACMYRIU-UHFFFAOYSA-N 2 0 247.342 0.969 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)CC1([NH3+])CC1 ZINC000398169748 488213455 /nfs/dbraw/zinc/21/34/55/488213455.db2.gz UBIJXKMYKSANMX-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000335653885 136306036 /nfs/dbraw/zinc/30/60/36/136306036.db2.gz OENKMNJOVDZOKL-ZETCQYMHSA-N 2 0 235.278 0.085 20 0 BCADRP C[C@@H]1CCN(C(=O)C2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000335657608 136307022 /nfs/dbraw/zinc/30/70/22/136307022.db2.gz QGXIGJMIMVZKEB-ZYHUDNBSSA-N 2 0 239.363 0.429 20 0 BCADRP [NH3+]C1(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CCC1 ZINC000335658287 136307528 /nfs/dbraw/zinc/30/75/28/136307528.db2.gz SPIYKNXWMOKFJY-UHFFFAOYSA-N 2 0 245.326 0.787 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000335661544 136315061 /nfs/dbraw/zinc/31/50/61/136315061.db2.gz FZNDKWAYXHSINC-GHMZBOCLSA-N 2 0 239.363 0.892 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000335662260 136315533 /nfs/dbraw/zinc/31/55/33/136315533.db2.gz IFNAFCJNOQFLJO-MNOVXSKESA-N 2 0 239.363 0.892 20 0 BCADRP CC(C)[C@@H]1CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000166230468 136315641 /nfs/dbraw/zinc/31/56/41/136315641.db2.gz ADQPXUTWIRFGTN-CYBMUJFWSA-N 2 0 225.380 0.870 20 0 BCADRP COCCOCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000166230812 136315749 /nfs/dbraw/zinc/31/57/49/136315749.db2.gz YHYUMLOTWXLBHV-WDEREUQCSA-N 2 0 216.325 0.319 20 0 BCADRP CC1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C[NH2+]C1 ZINC000335664824 136316325 /nfs/dbraw/zinc/31/63/25/136316325.db2.gz WWVSBYSIMMLSJD-PHIMTYICSA-N 2 0 237.347 0.054 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)C ZINC000349079177 136322598 /nfs/dbraw/zinc/32/25/98/136322598.db2.gz ISFMAYROMXRPKP-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000040809137 343409520 /nfs/dbraw/zinc/40/95/20/343409520.db2.gz OMRQEMQQXCMUSB-CMPLNLGQSA-N 2 0 235.331 0.753 20 0 BCADRP C[NH+](C)Cc1ccccc1CNC(=O)CC[NH3+] ZINC000040855251 343410104 /nfs/dbraw/zinc/41/01/04/343410104.db2.gz XFZCECTVOQBRLB-UHFFFAOYSA-N 2 0 235.331 0.713 20 0 BCADRP C[C@@H](NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])[C@H](C)[NH3+] ZINC000418706928 192063031 /nfs/dbraw/zinc/06/30/31/192063031.db2.gz SVNLXAWLEQNXDY-LMLFDSFASA-N 2 0 242.367 0.491 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000082419859 343440466 /nfs/dbraw/zinc/44/04/66/343440466.db2.gz RJZNSPMAGCBQSP-LBPRGKRZSA-N 2 0 212.337 0.954 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418705969 192063088 /nfs/dbraw/zinc/06/30/88/192063088.db2.gz SDJTUKUNMKLNET-WDEREUQCSA-N 2 0 244.383 0.705 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418705967 192062700 /nfs/dbraw/zinc/06/27/00/192062700.db2.gz SDJTUKUNMKLNET-MNOVXSKESA-N 2 0 244.383 0.705 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335734677 136349858 /nfs/dbraw/zinc/34/98/58/136349858.db2.gz VIYOYWKXGVTUJH-WCQYABFASA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H](CNC(=O)CCC[NH3+])[NH+]1CCC(C)CC1 ZINC000166340668 136352211 /nfs/dbraw/zinc/35/22/11/136352211.db2.gz QLSYXRVRDSGSRF-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCCC1 ZINC000335701470 136334063 /nfs/dbraw/zinc/33/40/63/136334063.db2.gz MLODXYOHWFMSTN-MNOVXSKESA-N 2 0 237.347 0.468 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000310344638 343451019 /nfs/dbraw/zinc/45/10/19/343451019.db2.gz DWWSXALQQNPCNV-BDAKNGLRSA-N 2 0 249.305 0.522 20 0 BCADRP CCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)NC)CC1 ZINC000322774969 136364256 /nfs/dbraw/zinc/36/42/56/136364256.db2.gz JGJWMDSFTBARMX-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@H](C)CO)CC1 ZINC000083216500 343479369 /nfs/dbraw/zinc/47/93/69/343479369.db2.gz OBPYIKYLIAZKLE-JTQLQIEISA-N 2 0 200.326 0.689 20 0 BCADRP CCC[N@@H+]1CCCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000083961264 343511503 /nfs/dbraw/zinc/51/15/03/343511503.db2.gz DHJDALCJSFFJGK-UHFFFAOYSA-N 2 0 227.352 0.668 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN(C)C[C@H]1CCC[NH+]1C ZINC000310490054 343515032 /nfs/dbraw/zinc/51/50/32/343515032.db2.gz FTJCQIUIIDYLIM-CHWSQXEVSA-N 2 0 243.395 0.325 20 0 BCADRP [NH3+]C1(C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000083835564 343503663 /nfs/dbraw/zinc/50/36/63/343503663.db2.gz OGLKDNYIOVTUJW-UHFFFAOYSA-N 2 0 211.309 0.080 20 0 BCADRP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000618190749 343557135 /nfs/dbraw/zinc/55/71/35/343557135.db2.gz DWWIGIYKGHPMTK-LBPRGKRZSA-N 2 0 239.363 0.491 20 0 BCADRP CNC(=O)CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152478321 343557693 /nfs/dbraw/zinc/55/76/93/343557693.db2.gz MLNHWGBADINFCR-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H](C)C[NH2+]C ZINC000086064687 343608372 /nfs/dbraw/zinc/60/83/72/343608372.db2.gz XCPPDVYYVVFMBJ-JTQLQIEISA-N 2 0 215.341 0.300 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC[N@H+](C)C1CC1 ZINC000086068911 343609494 /nfs/dbraw/zinc/60/94/94/343609494.db2.gz ZNWDRCSIZMYHPB-VIFPVBQESA-N 2 0 213.325 0.052 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000152908618 343611488 /nfs/dbraw/zinc/61/14/88/343611488.db2.gz JVHAGEDQJOMIBW-HTAVTVPLSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000399089756 488227134 /nfs/dbraw/zinc/22/71/34/488227134.db2.gz WAKFPZNNVJBETD-NWDGAFQWSA-N 2 0 239.363 0.714 20 0 BCADRP O=C(CC[C@H]1CCC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000621620198 343676515 /nfs/dbraw/zinc/67/65/15/343676515.db2.gz VCZQZNNUGRCBLB-VXGBXAGGSA-N 2 0 239.363 0.634 20 0 BCADRP O=C(CC[C@H]1CCC[NH2+]C1)NCC[NH2+]C1CC1 ZINC000621622159 343677148 /nfs/dbraw/zinc/67/71/48/343677148.db2.gz WPBACJWJQWQZNV-LLVKDONJSA-N 2 0 239.363 0.634 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CCO ZINC000380004299 365795036 /nfs/dbraw/zinc/79/50/36/365795036.db2.gz YWEUKMMRPYSLAC-OLZOCXBDSA-N 2 0 244.379 0.536 20 0 BCADRP [NH3+][C@@H](CCC(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000126344608 343699355 /nfs/dbraw/zinc/69/93/55/343699355.db2.gz PIDHOQCRGPGUJR-STQMWFEESA-N 2 0 247.342 0.945 20 0 BCADRP O=C(C[NH2+]C1CC1)NCC[C@@H]1CCC[NH2+]C1 ZINC000153920869 343706007 /nfs/dbraw/zinc/70/60/07/343706007.db2.gz OSKAWNQSBDVEGU-JTQLQIEISA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)CCC(C)(C)[NH3+] ZINC000380156235 343684230 /nfs/dbraw/zinc/68/42/30/343684230.db2.gz ZCDJEITZNPOCNZ-QMMMGPOBSA-N 2 0 201.314 0.357 20 0 BCADRP CC(C)[C@@H]1CN(C(=O)C[NH+](C)C)CC[NH2+]1 ZINC000062571237 343742895 /nfs/dbraw/zinc/74/28/95/343742895.db2.gz VXVBQUSPWMVYDL-JTQLQIEISA-N 2 0 213.325 0.004 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000154664228 343743506 /nfs/dbraw/zinc/74/35/06/343743506.db2.gz IGFIVHYUHJRTMK-NWDGAFQWSA-N 2 0 239.363 0.727 20 0 BCADRP CC[NH2+]CCCNC(=O)C(C)(C)C[NH3+] ZINC000380265093 343712134 /nfs/dbraw/zinc/71/21/34/343712134.db2.gz SYSSHKIBENICIC-UHFFFAOYSA-N 2 0 201.314 0.087 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000154273707 343712897 /nfs/dbraw/zinc/71/28/97/343712897.db2.gz UXBQTHSSADPGIZ-QWRGUYRKSA-N 2 0 227.352 0.666 20 0 BCADRP CCCN(C(=O)NC[C@@H]([NH3+])CC)[C@@H]1CC[NH2+]C1 ZINC000418718591 192064747 /nfs/dbraw/zinc/06/47/47/192064747.db2.gz HSEYJYBCBSZUMA-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP CCN(CCO)CC[NH2+]CC1(O)CCCC1 ZINC000576107820 343714026 /nfs/dbraw/zinc/71/40/26/343714026.db2.gz ADAAUCBGCNMRST-UHFFFAOYSA-N 2 0 230.352 0.195 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]([NH3+])CCSC ZINC000154539056 343716349 /nfs/dbraw/zinc/71/63/49/343716349.db2.gz IYAJXIFRKCDNHQ-VIFPVBQESA-N 2 0 233.381 0.183 20 0 BCADRP [NH3+]CC1(CC(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621682249 343744390 /nfs/dbraw/zinc/74/43/90/343744390.db2.gz CCKLMQCKNRVAOE-ZWNOBZJWSA-N 2 0 237.347 0.455 20 0 BCADRP CCCCOCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088329839 343723065 /nfs/dbraw/zinc/72/30/65/343723065.db2.gz DUICHIIQLGALHJ-TXEJJXNPSA-N 2 0 212.337 0.954 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418726499 192064881 /nfs/dbraw/zinc/06/48/81/192064881.db2.gz LPAPJYPDOZCDOO-DCAQKATOSA-N 2 0 242.367 0.540 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[NH2+]1)C2 ZINC000621683903 343744852 /nfs/dbraw/zinc/74/48/52/343744852.db2.gz DQUWNGJFIAKEIO-UMNHJUIQSA-N 2 0 223.320 0.078 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000418727626 192065642 /nfs/dbraw/zinc/06/56/42/192065642.db2.gz MNIRVVMTOYMCAC-LLVKDONJSA-N 2 0 240.351 0.285 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000584231051 343776128 /nfs/dbraw/zinc/77/61/28/343776128.db2.gz VEWNFFSTHBFAQJ-GHMZBOCLSA-N 2 0 227.352 0.701 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621685782 343749175 /nfs/dbraw/zinc/74/91/75/343749175.db2.gz KGIAIAXLUMJZTG-GXFFZTMASA-N 2 0 239.363 0.844 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261651731 349854514 /nfs/dbraw/zinc/85/45/14/349854514.db2.gz HIVPROXZAQFOSF-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000621702076 343754801 /nfs/dbraw/zinc/75/48/01/343754801.db2.gz DQAZFIJIKCDNPF-HOSYDEDBSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000584113027 343759521 /nfs/dbraw/zinc/75/95/21/343759521.db2.gz WYLMKWLFDBHHGR-LMLFDSFASA-N 2 0 243.326 0.320 20 0 BCADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CSC)C1 ZINC000187923543 259371086 /nfs/dbraw/zinc/37/10/86/259371086.db2.gz VSALULNGIVFOFH-RYUDHWBXSA-N 2 0 246.420 0.984 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CCCC[NH3+] ZINC000570516265 323061499 /nfs/dbraw/zinc/06/14/99/323061499.db2.gz SUBYWAYVQWGHDA-GHMZBOCLSA-N 2 0 227.352 0.844 20 0 BCADRP CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418379492 529908064 /nfs/dbraw/zinc/90/80/64/529908064.db2.gz KQDUPUBYOPIKDJ-NSHDSACASA-N 2 0 240.351 0.086 20 0 BCADRP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CCO ZINC000381044628 343886102 /nfs/dbraw/zinc/88/61/02/343886102.db2.gz GVCPYUCEAUAMPV-NEPJUHHUSA-N 2 0 230.352 0.146 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000044752147 187355242 /nfs/dbraw/zinc/35/52/42/187355242.db2.gz CZBPQIBZJJYMCU-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CC(N)=O)C1 ZINC000341906119 187356671 /nfs/dbraw/zinc/35/66/71/187356671.db2.gz WTKKQLKHCXIXRH-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000335895064 344045286 /nfs/dbraw/zinc/04/52/86/344045286.db2.gz CQKMHIDJVPBJIH-WDEREUQCSA-N 2 0 239.363 0.905 20 0 BCADRP CC[C@@H]([NH3+])c1cn(CC2CC[NH2+]CC2)nn1 ZINC000641232696 362285246 /nfs/dbraw/zinc/28/52/46/362285246.db2.gz JKEKRCDUKLFICK-SNVBAGLBSA-N 2 0 223.324 0.688 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634733749 344113833 /nfs/dbraw/zinc/11/38/33/344113833.db2.gz MUNPLJPMZNVAEF-RQJABVFESA-N 2 0 237.391 0.964 20 0 BCADRP C(N[C@]12CCC[C@@H]1C[NH2+]C2)C12CC(C1)C[NH2+]2 ZINC000634733560 344114018 /nfs/dbraw/zinc/11/40/18/344114018.db2.gz IHNAGAUBWZNBEH-KPFVRQRISA-N 2 0 221.348 0.470 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634744492 344165257 /nfs/dbraw/zinc/16/52/57/344165257.db2.gz ZTZXZGYVNCTEAB-RTXFEEFZSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH+](C)CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634744256 344165259 /nfs/dbraw/zinc/16/52/59/344165259.db2.gz SPQBAPGBFUMSEY-TXEJJXNPSA-N 2 0 225.336 0.006 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422534532 529959079 /nfs/dbraw/zinc/95/90/79/529959079.db2.gz BDFMMYCIDTVDPW-DCAQKATOSA-N 2 0 227.352 0.428 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000130332291 344130917 /nfs/dbraw/zinc/13/09/17/344130917.db2.gz HMZYIDYEKRSSII-QJPTWQEYSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000130356302 344133138 /nfs/dbraw/zinc/13/31/38/344133138.db2.gz YUSDQYLSNVRRIO-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000156510289 344140610 /nfs/dbraw/zinc/14/06/10/344140610.db2.gz QEWQMEOCXIVSER-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130557016 344148016 /nfs/dbraw/zinc/14/80/16/344148016.db2.gz ZMLYDHBTEYQVGX-OUAUKWLOSA-N 2 0 227.352 0.665 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000130555014 344148085 /nfs/dbraw/zinc/14/80/85/344148085.db2.gz BOBZJKLQDLNNEF-TUAOUCFPSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000129081872 344209955 /nfs/dbraw/zinc/20/99/55/344209955.db2.gz LYLHBVVHOGXLDZ-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN(C)C2CC2)[C@H](C)O1 ZINC000384894149 344216185 /nfs/dbraw/zinc/21/61/85/344216185.db2.gz LRIXFAKSUCRVMN-DNIRFERGSA-N 2 0 242.363 0.597 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000131708177 344233897 /nfs/dbraw/zinc/23/38/97/344233897.db2.gz UUAOILRZBOSUNN-UWVGGRQHSA-N 2 0 213.325 0.086 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[NH2+]C(C)(C)C ZINC000236747329 187289337 /nfs/dbraw/zinc/28/93/37/187289337.db2.gz PJCVOQKOBWHTTC-VIFPVBQESA-N 2 0 215.341 0.474 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000131867584 344237445 /nfs/dbraw/zinc/23/74/45/344237445.db2.gz VIRQEYHEBSIUAZ-VHSXEESVSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000131867826 344237466 /nfs/dbraw/zinc/23/74/66/344237466.db2.gz VIRQEYHEBSIUAZ-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752815 344205340 /nfs/dbraw/zinc/20/53/40/344205340.db2.gz STWKFZLMZUFQAL-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761612 344252121 /nfs/dbraw/zinc/25/21/21/344252121.db2.gz FSSGTYPVJMWTRX-JTQLQIEISA-N 2 0 227.352 0.490 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761920 344253880 /nfs/dbraw/zinc/25/38/80/344253880.db2.gz MBEXDTPVXYQIPR-UWVGGRQHSA-N 2 0 227.352 0.476 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761964 344254957 /nfs/dbraw/zinc/25/49/57/344254957.db2.gz MYXAIHVBAJISEO-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000634762341 344255774 /nfs/dbraw/zinc/25/57/74/344255774.db2.gz UWMYHCIHBOMCCL-NSHDSACASA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H](C)CCCC[NH3+] ZINC000381245235 344263800 /nfs/dbraw/zinc/26/38/00/344263800.db2.gz OBPDRWGIWVFPHB-ZJUUUORDSA-N 2 0 215.341 0.748 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634764047 344275581 /nfs/dbraw/zinc/27/55/81/344275581.db2.gz KEEURKMWJDAKMB-QWRGUYRKSA-N 2 0 241.379 0.879 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236648618 187290153 /nfs/dbraw/zinc/29/01/53/187290153.db2.gz UKFGNLPOTPNXHW-FOSCPWQOSA-N 2 0 239.363 0.726 20 0 BCADRP CC1(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C[NH2+]C1 ZINC000634763644 344276160 /nfs/dbraw/zinc/27/61/60/344276160.db2.gz ADUUMZWAFQYFRN-SNVBAGLBSA-N 2 0 239.363 0.490 20 0 BCADRP O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000634765408 344276650 /nfs/dbraw/zinc/27/66/50/344276650.db2.gz ROFPIZJKDFOPBY-WZRBSPASSA-N 2 0 237.347 0.244 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634764386 344276662 /nfs/dbraw/zinc/27/66/62/344276662.db2.gz RRZWHDWBJRBVPR-VHSXEESVSA-N 2 0 227.352 0.489 20 0 BCADRP [NH3+][C@@H]1CC[C@@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000634765612 344276710 /nfs/dbraw/zinc/27/67/10/344276710.db2.gz XHTHNPUIUYGZMR-UZWSLXQKSA-N 2 0 237.347 0.372 20 0 BCADRP [NH3+]C1(CC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)CCC1 ZINC000634765426 344276784 /nfs/dbraw/zinc/27/67/84/344276784.db2.gz SDLIQZNJEDLXPB-MFKMUULPSA-N 2 0 237.347 0.516 20 0 BCADRP C[C@@H](C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2)[C@H](C)[NH3+] ZINC000634768276 344280306 /nfs/dbraw/zinc/28/03/06/344280306.db2.gz DFDPSQFTWFKATK-KLBPJQLPSA-N 2 0 225.336 0.228 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000092137007 344288985 /nfs/dbraw/zinc/28/89/85/344288985.db2.gz NDASCVDSVONLHM-NSHDSACASA-N 2 0 241.379 0.642 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCN2CCOCC2)C1 ZINC000093210367 344312224 /nfs/dbraw/zinc/31/22/24/344312224.db2.gz GMVHTLIHGMCHSR-STQMWFEESA-N 2 0 241.379 0.568 20 0 BCADRP CC[NH2+]CCNC(=O)CC[NH2+]C(C)C ZINC000131798397 344334271 /nfs/dbraw/zinc/33/42/71/344334271.db2.gz ZZGXUUACDYYJMM-UHFFFAOYSA-N 2 0 201.314 0.100 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000131815720 344334329 /nfs/dbraw/zinc/33/43/29/344334329.db2.gz KFXRLBAIYGXKNU-LLVKDONJSA-N 2 0 227.352 0.490 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)CC[NH2+]C(C)C ZINC000131869194 344355048 /nfs/dbraw/zinc/35/50/48/344355048.db2.gz GRGBWMPSUPQCIS-JTQLQIEISA-N 2 0 215.341 0.346 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000131880280 344356081 /nfs/dbraw/zinc/35/60/81/344356081.db2.gz ACWGVECVFMNKJD-JTQLQIEISA-N 2 0 213.325 0.195 20 0 BCADRP COC(=O)CCCCN1CCC[C@@H]([NH3+])C1 ZINC000600699478 344359265 /nfs/dbraw/zinc/35/92/65/344359265.db2.gz AOWDOKXEQLMXML-SNVBAGLBSA-N 2 0 214.309 0.753 20 0 BCADRP COC(=O)CCCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000600706305 344360473 /nfs/dbraw/zinc/36/04/73/344360473.db2.gz UEZKHXYKBLCNQS-MNOVXSKESA-N 2 0 228.336 0.999 20 0 BCADRP C[C@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000132466047 344303157 /nfs/dbraw/zinc/30/31/57/344303157.db2.gz VYZOMKQLDFAXDU-WAAKLRNESA-N 2 0 212.337 0.972 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000584286230 344420115 /nfs/dbraw/zinc/42/01/15/344420115.db2.gz VYZNZUJUPOUNJT-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000584290629 344425458 /nfs/dbraw/zinc/42/54/58/344425458.db2.gz RTAZEZKDJYFEAW-SNVBAGLBSA-N 2 0 227.352 0.559 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000584290958 344425947 /nfs/dbraw/zinc/42/59/47/344425947.db2.gz QWPXOWASVWKJQR-ZJUUUORDSA-N 2 0 245.392 0.325 20 0 BCADRP CC(C)C[C@H](CNC(=O)[C@@H](C)[NH3+])[NH+](C)C ZINC000040831278 344393773 /nfs/dbraw/zinc/39/37/73/344393773.db2.gz MRYHWMRBNKOEGZ-NXEZZACHSA-N 2 0 215.341 0.426 20 0 BCADRP CC(C)C[NH+]1CCC(NC(=O)CC[NH3+])CC1 ZINC000236767701 344403675 /nfs/dbraw/zinc/40/36/75/344403675.db2.gz MNEJMEDSQFIVAT-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)CCC[NH2+]C ZINC000236825463 344406559 /nfs/dbraw/zinc/40/65/59/344406559.db2.gz UQBTUWQDXKRJRK-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP CCN1CCC[C@@H]1C[NH2+][C@H](CCC[NH3+])COC ZINC000300023264 344509880 /nfs/dbraw/zinc/50/98/80/344509880.db2.gz DHMDNWKGVBRSMD-CHWSQXEVSA-N 2 0 243.395 0.814 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000564941360 344474882 /nfs/dbraw/zinc/47/48/82/344474882.db2.gz OPZSENWUPSYNGT-JTQLQIEISA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N(C)CC[NH+]1CCCC1 ZINC000641413529 362403452 /nfs/dbraw/zinc/40/34/52/362403452.db2.gz JTQMCPHCIWEYKW-SNVBAGLBSA-N 2 0 228.340 0.071 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]([NH3+])CC(F)F ZINC000577396946 344526143 /nfs/dbraw/zinc/52/61/43/344526143.db2.gz UQUXWQPPLJNSCA-YIZRAAEISA-N 2 0 249.305 0.603 20 0 BCADRP COC(=O)CCCN1CCCC[C@@H]1C[NH3+] ZINC000044557033 344543111 /nfs/dbraw/zinc/54/31/11/344543111.db2.gz LENXVURPGQNSJM-SNVBAGLBSA-N 2 0 214.309 0.753 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000037824247 344593277 /nfs/dbraw/zinc/59/32/77/344593277.db2.gz ASJNMTPLFJZPMM-MNOVXSKESA-N 2 0 225.336 0.420 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)C[NH3+] ZINC000045708906 344577777 /nfs/dbraw/zinc/57/77/77/344577777.db2.gz ZNIOHPMMVKTECQ-NXEZZACHSA-N 2 0 215.341 0.428 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)NC[C@H](C)[NH3+])CC1 ZINC000641426707 362410776 /nfs/dbraw/zinc/41/07/76/362410776.db2.gz VWPFKUJCPZJMEG-NSHDSACASA-N 2 0 242.367 0.459 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCC[NH2+]C ZINC000237066812 344587761 /nfs/dbraw/zinc/58/77/61/344587761.db2.gz UQBTUWQDXKRJRK-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCC[NH3+] ZINC000237066789 344588197 /nfs/dbraw/zinc/58/81/97/344588197.db2.gz DUTULJCKJDZMPU-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H](C)[NH3+] ZINC000641481499 362449974 /nfs/dbraw/zinc/44/99/74/362449974.db2.gz YOXCJOUKOBHEQF-NSHDSACASA-N 2 0 244.383 0.563 20 0 BCADRP Fc1cnccc1NCC[N@@H+]1CCCOCC1 ZINC000641521670 362479403 /nfs/dbraw/zinc/47/94/03/362479403.db2.gz LLXVLORZUATNLC-UHFFFAOYSA-N 2 0 239.294 0.777 20 0 BCADRP CC(C)([NH3+])CN1CC[NH+](CC2CC2)CC1 ZINC000042491274 187292246 /nfs/dbraw/zinc/29/22/46/187292246.db2.gz DAQXFNRNQKKFOL-UHFFFAOYSA-N 2 0 211.353 0.751 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000309464905 347069102 /nfs/dbraw/zinc/06/91/02/347069102.db2.gz PTDCCCMWGCWDMM-JQWIXIFHSA-N 3 0 211.353 0.798 20 0 BCADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038864 344688191 /nfs/dbraw/zinc/68/81/91/344688191.db2.gz GCKJIYRTKKYSLH-SDDRHHMPSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H](C(=O)N[C@@](C)(C[NH3+])C1CC1)[C@H](C)[NH3+] ZINC000309460466 347067629 /nfs/dbraw/zinc/06/76/29/347067629.db2.gz ORNQCKSMJIAVOY-FYBVGQRMSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)c1coc(C[NH3+])c1 ZINC000309459870 347067855 /nfs/dbraw/zinc/06/78/55/347067855.db2.gz OOQQZUMBTHWOER-SSDOTTSWSA-N 2 0 211.265 0.205 20 0 BCADRP [NH3+]CC[C@H](NC(=O)C[NH2+]C1CC1)C(F)(F)F ZINC000562980506 323077885 /nfs/dbraw/zinc/07/78/85/323077885.db2.gz FUHPRQWJQIACDH-ZETCQYMHSA-N 2 0 239.241 0.134 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000583379992 344855338 /nfs/dbraw/zinc/85/53/38/344855338.db2.gz BZSULMQZYQXRPG-DCAQKATOSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000583380314 344855440 /nfs/dbraw/zinc/85/54/40/344855440.db2.gz ZYHOFJSIRWXSDY-NNYUYHANSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000583379993 344855481 /nfs/dbraw/zinc/85/54/81/344855481.db2.gz BZSULMQZYQXRPG-GARJFASQSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000574520148 344884100 /nfs/dbraw/zinc/88/41/00/344884100.db2.gz DXEVEOAMMUCWCN-AEJSXWLSSA-N 2 0 213.325 0.371 20 0 BCADRP CC(C)[C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000319009607 259381775 /nfs/dbraw/zinc/38/17/75/259381775.db2.gz OXNVPPGTRIDUQM-WDEREUQCSA-N 2 0 200.326 0.999 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000574520152 344884619 /nfs/dbraw/zinc/88/46/19/344884619.db2.gz DXEVEOAMMUCWCN-GUBZILKMSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC(=O)N2)CC[N@@H+]1C ZINC000433088896 537871575 /nfs/dbraw/zinc/87/15/75/537871575.db2.gz DSCHOTQXZYPWIS-GRYCIOLGSA-N 2 0 239.363 0.727 20 0 BCADRP Cc1cc(CNC[C@@]2(O)CC[N@@H+](C)C2)on1 ZINC000631113516 344923214 /nfs/dbraw/zinc/92/32/14/344923214.db2.gz YQSLXGHAZHHEDD-NSHDSACASA-N 2 0 225.292 0.139 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000153738664 344962873 /nfs/dbraw/zinc/96/28/73/344962873.db2.gz GHEGNJIMUAOFSF-QWHCGFSZSA-N 2 0 244.379 0.969 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000583439674 344963807 /nfs/dbraw/zinc/96/38/07/344963807.db2.gz GNRIDJIRMJMDHG-USZNOCQGSA-N 2 0 239.363 0.631 20 0 BCADRP CC[C@H]1C[N@H+](CCCC(=O)OC)CC[C@@H]1[NH3+] ZINC000122747171 344972160 /nfs/dbraw/zinc/97/21/60/344972160.db2.gz XFVUEFFJHRIPDN-QWRGUYRKSA-N 2 0 228.336 0.999 20 0 BCADRP COC[C@@H](CO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000234897181 537882669 /nfs/dbraw/zinc/88/26/69/537882669.db2.gz OTSAFYPQXCVRRA-ZYHUDNBSSA-N 2 0 230.352 0.314 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000155244258 345074774 /nfs/dbraw/zinc/07/47/74/345074774.db2.gz WRPIPQOIKSHWJE-QCNOEVLYSA-N 2 0 241.379 0.946 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](COC)C1 ZINC000310450674 259382469 /nfs/dbraw/zinc/38/24/69/259382469.db2.gz XZFLKYSYKCIEOX-STQMWFEESA-N 2 0 244.379 0.657 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000574876625 345068012 /nfs/dbraw/zinc/06/80/12/345068012.db2.gz AASFQQRXFYKZDK-CIUDSAMLSA-N 2 0 249.305 0.697 20 0 BCADRP C[N@H+](C[C@H](O)CNC1CC[NH+](C)CC1)C1CC1 ZINC000310430732 259382515 /nfs/dbraw/zinc/38/25/15/259382515.db2.gz SPVPHGLQGPEFSJ-CYBMUJFWSA-N 2 0 241.379 0.125 20 0 BCADRP COC[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000151000404 345165240 /nfs/dbraw/zinc/16/52/40/345165240.db2.gz QEHUXXWSAHYMOI-GFCCVEGCSA-N 2 0 243.395 0.637 20 0 BCADRP C[C@@]1(C(=O)NCC[C@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000579711442 345167794 /nfs/dbraw/zinc/16/77/94/345167794.db2.gz ABWBOJJIYMQIQG-PWSUYJOCSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C[C@H](C[NH3+])C(C)C)C1 ZINC000634990845 345173134 /nfs/dbraw/zinc/17/31/34/345173134.db2.gz FOIWMWPUTKSKDD-RYUDHWBXSA-N 2 0 213.369 0.759 20 0 BCADRP CCC[NH+]1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991581 345177826 /nfs/dbraw/zinc/17/78/26/345177826.db2.gz JVDYMKKYWHONKE-UHFFFAOYSA-N 2 0 223.364 0.766 20 0 BCADRP CC1(C)C[NH2+]CCN1CC12CC(C1)C[NH2+]2 ZINC000634991608 345178332 /nfs/dbraw/zinc/17/83/32/345178332.db2.gz KUROCXFCRPDLGX-UHFFFAOYSA-N 2 0 209.337 0.422 20 0 BCADRP C[NH2+]C[C@H]1CCCN1CC12CC(C1)C[NH2+]2 ZINC000634991799 345178377 /nfs/dbraw/zinc/17/83/77/345178377.db2.gz ROMXBCRTIKZMLK-MOENNCHZSA-N 2 0 209.337 0.422 20 0 BCADRP C[C@@H]1[C@H](C)N(CC23CC(C2)C[NH2+]3)CC[N@H+]1C ZINC000634994672 345182423 /nfs/dbraw/zinc/18/24/23/345182423.db2.gz KDKNRBPSYMVLAW-IALDZJHCSA-N 2 0 223.364 0.763 20 0 BCADRP CC(C)[C@H](C[NH3+])CNC[C@H]1CCCC[NH2+]1 ZINC000634994893 345182581 /nfs/dbraw/zinc/18/25/81/345182581.db2.gz PIHMCJOCKNYZBS-VXGBXAGGSA-N 2 0 213.369 0.949 20 0 BCADRP CC(C)[C@H](C[NH3+])CNC[C@@H]1CCCC[NH2+]1 ZINC000634994890 345182664 /nfs/dbraw/zinc/18/26/64/345182664.db2.gz PIHMCJOCKNYZBS-NEPJUHHUSA-N 2 0 213.369 0.949 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN1CC[NH2+]C[C@](C)(F)C1 ZINC000634994644 345182739 /nfs/dbraw/zinc/18/27/39/345182739.db2.gz JNDJIRRPBIIAGG-RYUDHWBXSA-N 2 0 231.359 0.851 20 0 BCADRP CC(C)[C@@H](C[NH3+])CNC[C@H]1CCCC[NH2+]1 ZINC000634994891 345182752 /nfs/dbraw/zinc/18/27/52/345182752.db2.gz PIHMCJOCKNYZBS-NWDGAFQWSA-N 2 0 213.369 0.949 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CNCC23CC(C2)C[NH2+]3)C1 ZINC000634995651 345185069 /nfs/dbraw/zinc/18/50/69/345185069.db2.gz LLSJWKAEBRBZHP-SEQHWMEXSA-N 2 0 213.300 0.028 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN[C@@H]1CC[NH2+][C@H](C)C1 ZINC000634995744 345185280 /nfs/dbraw/zinc/18/52/80/345185280.db2.gz NRJJWCLRTCHLGZ-GRYCIOLGSA-N 2 0 213.369 0.947 20 0 BCADRP [NH3+]CC[C@@H](NCC12CC(C1)C[NH2+]2)C(F)(F)F ZINC000634996088 345186942 /nfs/dbraw/zinc/18/69/42/345186942.db2.gz ZDFLSRLWAHJBRG-QJAFJHJLSA-N 2 0 237.269 0.608 20 0 BCADRP CNC(=O)CCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156145689 345128315 /nfs/dbraw/zinc/12/83/15/345128315.db2.gz AULLIQPVKISPNQ-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP C(N1CC[C@@H]2OCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634996196 345187539 /nfs/dbraw/zinc/18/75/39/345187539.db2.gz CKCOVXXVQZBDKC-QBHFIFKDSA-N 2 0 222.332 0.849 20 0 BCADRP CCO[C@@H]1C[N@H+](C[C@H](C[NH3+])C(C)C)C[C@H]1C[NH3+] ZINC000634996166 345187768 /nfs/dbraw/zinc/18/77/68/345187768.db2.gz BJRAVQHHJLSCCB-YNEHKIRRSA-N 3 0 243.395 0.513 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1CC12CC(C1)C[NH2+]2 ZINC000634996629 345191331 /nfs/dbraw/zinc/19/13/31/345191331.db2.gz PQPPQDHFSNBRRE-VOBJUBJWSA-N 2 0 209.337 0.550 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158773718 345151187 /nfs/dbraw/zinc/15/11/87/345151187.db2.gz CBHYOLFSAZXEED-LBPRGKRZSA-N 2 0 225.336 0.183 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H](C)[NH+](C)C ZINC000635059478 345232795 /nfs/dbraw/zinc/23/27/95/345232795.db2.gz VFUMDCTUMFMTSN-SNVBAGLBSA-N 2 0 215.341 0.395 20 0 BCADRP C[NH+](C)CC1(C(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000635078300 345242776 /nfs/dbraw/zinc/24/27/76/345242776.db2.gz QQNMKGDSOBREAO-UHFFFAOYSA-N 2 0 239.363 0.492 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)CCCC[NH3+])C1 ZINC000381290636 345247698 /nfs/dbraw/zinc/24/76/98/345247698.db2.gz CYNNXOVZTSXFFV-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000634997693 345193986 /nfs/dbraw/zinc/19/39/86/345193986.db2.gz QSMFXSDNQITEAW-YNEHKIRRSA-N 2 0 223.364 0.799 20 0 BCADRP [NH3+][C@@]12CCC[C@@H]1CN(CC13CC(C1)C[NH2+]3)C2 ZINC000634996982 345194102 /nfs/dbraw/zinc/19/41/02/345194102.db2.gz AOFFZLBLRMCMCJ-POOIEITISA-N 2 0 221.348 0.552 20 0 BCADRP Cc1n[nH]cc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999554 345199940 /nfs/dbraw/zinc/19/99/40/345199940.db2.gz WCJVOCGKHDEBHF-PSASIEDQSA-N 2 0 208.309 0.745 20 0 BCADRP OCC[NH2+]C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000635001685 345201337 /nfs/dbraw/zinc/20/13/37/345201337.db2.gz BNWOBJSKMFSTTG-GFCCVEGCSA-N 2 0 242.363 0.459 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635136622 345257346 /nfs/dbraw/zinc/25/73/46/345257346.db2.gz YUZCPNWTSNWINH-GFCCVEGCSA-N 2 0 241.379 0.737 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635002497 345203823 /nfs/dbraw/zinc/20/38/23/345203823.db2.gz SPFFKAOKTYKRHI-SDDRHHMPSA-N 2 0 211.353 0.796 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN1CCC([NH2+]CCO)CC1 ZINC000635002290 345203892 /nfs/dbraw/zinc/20/38/92/345203892.db2.gz NHYQFASEKMVMMT-LBPRGKRZSA-N 2 0 243.395 0.264 20 0 BCADRP C(N1C[C@H]2CC[C@@H](C1)[NH2+]2)C12CC(C1)C[NH2+]2 ZINC000635002469 345204099 /nfs/dbraw/zinc/20/40/99/345204099.db2.gz RGYBTUYZBYXTAJ-WSVSKBAQSA-N 2 0 207.321 0.175 20 0 BCADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CC[NH2+]CC2)CC1 ZINC000635004003 345207198 /nfs/dbraw/zinc/20/71/98/345207198.db2.gz GMRRBJMUBOIZAW-XYPYZODXSA-N 3 0 211.353 0.846 20 0 BCADRP C[C@@H](CC(=O)N(C)C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004333 345207589 /nfs/dbraw/zinc/20/75/89/345207589.db2.gz CXNBEVGTICYELR-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[C@@H](CCO)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000635005307 345209081 /nfs/dbraw/zinc/20/90/81/345209081.db2.gz UFSORBLVWFQXEW-KOLCDFICSA-N 2 0 200.326 0.735 20 0 BCADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)C1C[NH2+]C1 ZINC000635005406 345209336 /nfs/dbraw/zinc/20/93/36/345209336.db2.gz NEAXWBURYYDLNW-NHCYSSNCSA-N 3 0 211.353 0.701 20 0 BCADRP CC(C)OCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000635012041 345214427 /nfs/dbraw/zinc/21/44/27/345214427.db2.gz IVOGUSGSEZHESL-SDDRHHMPSA-N 2 0 230.352 0.753 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449079658 201804108 /nfs/dbraw/zinc/80/41/08/201804108.db2.gz ZSJBEFVAIQCSNI-WRWGMCAJSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](C(=O)NC1CC[NH+](C)CC1)[NH+](C)C ZINC000635131522 345255547 /nfs/dbraw/zinc/25/55/47/345255547.db2.gz YKHFIFASOVICEP-SECBINFHSA-N 2 0 213.325 0.147 20 0 BCADRP C1C[C@H]2C[C@H](N[C@@H]3CC[NH2+]C3)CC[N@@H+]2C1 ZINC000157432563 345264221 /nfs/dbraw/zinc/26/42/21/345264221.db2.gz OMHPFRBJLVWDAJ-UTUOFQBUSA-N 2 0 209.337 0.565 20 0 BCADRP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000635255885 345288714 /nfs/dbraw/zinc/28/87/14/345288714.db2.gz YCUHWQDGPVPUAW-MNOVXSKESA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000635255888 345288976 /nfs/dbraw/zinc/28/89/76/345288976.db2.gz YCUHWQDGPVPUAW-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000131704595 345305964 /nfs/dbraw/zinc/30/59/64/345305964.db2.gz LRKCNVVYFQAJAQ-LLVKDONJSA-N 2 0 227.352 0.490 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000131929937 345311852 /nfs/dbraw/zinc/31/18/52/345311852.db2.gz ISXLOEZLDVGXAL-LBPRGKRZSA-N 2 0 229.368 0.864 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000449098316 201807728 /nfs/dbraw/zinc/80/77/28/201807728.db2.gz PFRVEJGEZVLGBK-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132885220 345350614 /nfs/dbraw/zinc/35/06/14/345350614.db2.gz BLCJVGDLLZILSX-WDEREUQCSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H](C(=O)NCC1CC[NH+](C)CC1)[NH+](C)C ZINC000635468346 345385093 /nfs/dbraw/zinc/38/50/93/345385093.db2.gz XFPRPRRSCQAVGG-SNVBAGLBSA-N 2 0 227.352 0.395 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)[C@H](C)C[NH3+] ZINC000449118229 201811616 /nfs/dbraw/zinc/81/16/16/201811616.db2.gz RULBCKVOBVSDCO-NXEZZACHSA-N 2 0 229.368 0.816 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H](C[NH3+])C1CC1)[NH+](C)C ZINC000159085511 345408386 /nfs/dbraw/zinc/40/83/86/345408386.db2.gz SELMMFFLMVFTLA-WDEREUQCSA-N 2 0 227.352 0.426 20 0 BCADRP C[C@H](C(=O)N1CCCC[C@@H]1C[NH+](C)C)[NH+](C)C ZINC000635512450 345409315 /nfs/dbraw/zinc/40/93/15/345409315.db2.gz SEMSIYMXLOLINX-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)N(C)C ZINC000168986253 345418370 /nfs/dbraw/zinc/41/83/70/345418370.db2.gz BSCIRPNBNUPIBX-NXEZZACHSA-N 2 0 213.325 0.276 20 0 BCADRP CC(C)([NH3+])CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449131491 201817250 /nfs/dbraw/zinc/81/72/50/201817250.db2.gz MZNQKECHIDNUPN-UWVGGRQHSA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)[NH+](CCNC(=O)C[C@@H](C)[NH3+])C(C)C ZINC000037475703 187303188 /nfs/dbraw/zinc/30/31/88/187303188.db2.gz KLAUBUUONXIDJK-LLVKDONJSA-N 2 0 229.368 0.959 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000381339075 345395913 /nfs/dbraw/zinc/39/59/13/345395913.db2.gz WXGYTVHGTISKSD-UTLUCORTSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@H](C[NH3+])NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000082241807 345497795 /nfs/dbraw/zinc/49/77/95/345497795.db2.gz CIBLYKQFBCMEGR-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP COC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000068891763 349929778 /nfs/dbraw/zinc/92/97/78/349929778.db2.gz AQKKJQGYFTXIMQ-CMPLNLGQSA-N 2 0 228.336 0.068 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000336650837 187305438 /nfs/dbraw/zinc/30/54/38/187305438.db2.gz DYIODGNQZFGAGD-ZJUUUORDSA-N 2 0 213.325 0.038 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)C[C@H](C)[NH3+] ZINC000336673017 187306215 /nfs/dbraw/zinc/30/62/15/187306215.db2.gz OHVSEOKUPGFRAB-GXSJLCMTSA-N 2 0 215.341 0.603 20 0 BCADRP COC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(C)C ZINC000159767135 345525874 /nfs/dbraw/zinc/52/58/74/345525874.db2.gz SFGOYOAXNKYKQJ-NSHDSACASA-N 2 0 245.367 0.006 20 0 BCADRP CC[C@@H](O)C[NH+]1CCN(c2nccn2C)CC1 ZINC000089926574 345566574 /nfs/dbraw/zinc/56/65/74/345566574.db2.gz POQANOXGNPMQJH-LLVKDONJSA-N 2 0 238.335 0.313 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262842036 535000454 /nfs/dbraw/zinc/00/04/54/535000454.db2.gz JAWKHVDMRDSCLH-QWRGUYRKSA-N 2 0 227.352 0.583 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000563096772 323092168 /nfs/dbraw/zinc/09/21/68/323092168.db2.gz JNVDIONHLANWRN-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC1(C)CC[NH2+]CC1 ZINC000563092326 323091809 /nfs/dbraw/zinc/09/18/09/323091809.db2.gz MKJCMIVNQWQYIT-VHSXEESVSA-N 2 0 242.367 0.554 20 0 BCADRP CC[C@]1(C(=O)NCC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000134365991 345647765 /nfs/dbraw/zinc/64/77/65/345647765.db2.gz NZAWTRPFVYICKM-CYBMUJFWSA-N 2 0 239.363 0.634 20 0 BCADRP CC1(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000563135601 323094630 /nfs/dbraw/zinc/09/46/30/323094630.db2.gz RNSGRMHGOLYEAS-GFCCVEGCSA-N 2 0 223.364 0.766 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](C)[NH+](C)C ZINC000635556590 345708168 /nfs/dbraw/zinc/70/81/68/345708168.db2.gz RUDDCVXQKFGAPN-GHMZBOCLSA-N 2 0 229.368 0.783 20 0 BCADRP C[NH+](C)CCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635561242 345764018 /nfs/dbraw/zinc/76/40/18/345764018.db2.gz QPXJLTFSKXWBEM-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP C[NH+](C)CCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635561243 345764301 /nfs/dbraw/zinc/76/43/01/345764301.db2.gz QPXJLTFSKXWBEM-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000581368988 345854511 /nfs/dbraw/zinc/85/45/11/345854511.db2.gz WEXNIPANBGNCEA-WOPDTQHZSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000635601383 345888098 /nfs/dbraw/zinc/88/80/98/345888098.db2.gz ATOXWWMCQZGJID-UTUOFQBUSA-N 2 0 241.379 0.735 20 0 BCADRP C[C@H](C(=O)N(C)[C@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000635605418 345889594 /nfs/dbraw/zinc/88/95/94/345889594.db2.gz BQRXSRYVKLZASY-MNOVXSKESA-N 2 0 227.352 0.489 20 0 BCADRP C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@@H]1CC[NH2+]C1 ZINC000335391815 187311018 /nfs/dbraw/zinc/31/10/18/187311018.db2.gz JCURTFLEXLQYAX-STQMWFEESA-N 3 0 223.364 0.671 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[NH2+]C1CC1 ZINC000381444924 345917236 /nfs/dbraw/zinc/91/72/36/345917236.db2.gz ASZFDFRFTNEFOG-LLVKDONJSA-N 2 0 213.325 0.228 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)NCC[C@@H]1CC[NH2+]C1 ZINC000178957077 345918349 /nfs/dbraw/zinc/91/83/49/345918349.db2.gz FVOLEZUXXPEFID-QWRGUYRKSA-N 2 0 225.336 0.244 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)NCC[C@H]1CC[NH2+]C1 ZINC000178957096 345918380 /nfs/dbraw/zinc/91/83/80/345918380.db2.gz FVOLEZUXXPEFID-MNOVXSKESA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000563168840 323099650 /nfs/dbraw/zinc/09/96/50/323099650.db2.gz AVSPMTPYBNNKHW-NAKRPEOUSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@H](C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000635665107 345967632 /nfs/dbraw/zinc/96/76/32/345967632.db2.gz UZLRFSMLJGRFLJ-MXWKQRLJSA-N 2 0 239.363 0.678 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]([NH3+])CCSC ZINC000381473845 346024564 /nfs/dbraw/zinc/02/45/64/346024564.db2.gz PTAQHLKCKNVRNN-RKDXNWHRSA-N 2 0 233.381 0.181 20 0 BCADRP C[C@H](C(=O)N1C[C@@H](C)N(C)C[C@H]1C)[NH+](C)C ZINC000635756718 346051312 /nfs/dbraw/zinc/05/13/12/346051312.db2.gz ICHKKQPBEYPIFO-GMTAPVOTSA-N 2 0 227.352 0.488 20 0 BCADRP CCc1c[nH]c(CC(=O)N2CC([NH+](C)C)C2)n1 ZINC000635744344 346055138 /nfs/dbraw/zinc/05/51/38/346055138.db2.gz OSFNECARPRXFMI-UHFFFAOYSA-N 2 0 236.319 0.287 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000375428212 537937026 /nfs/dbraw/zinc/93/70/26/537937026.db2.gz MXIGHXLPYRPXRG-KQXIARHKSA-N 2 0 239.363 0.700 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH+]2CCC2)C1 ZINC000635726003 346038194 /nfs/dbraw/zinc/03/81/94/346038194.db2.gz YZNHIOUADXWKHL-LLVKDONJSA-N 2 0 225.336 0.150 20 0 BCADRP C[NH+](C)C1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC000635745635 346046759 /nfs/dbraw/zinc/04/67/59/346046759.db2.gz XLPCGZLOXPHLAR-UHFFFAOYSA-N 2 0 241.379 0.737 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+](C)C)C1 ZINC000635807573 346072566 /nfs/dbraw/zinc/07/25/66/346072566.db2.gz NVZNBNRCAFSEQJ-RYUDHWBXSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000051821954 346085567 /nfs/dbraw/zinc/08/55/67/346085567.db2.gz XWUXIIDLHNICHO-NSHDSACASA-N 2 0 200.326 0.785 20 0 BCADRP C[C@H](C(=O)N1CCC2(C[NH+](C)C2)C1)[NH+](C)C ZINC000635858396 346087145 /nfs/dbraw/zinc/08/71/45/346087145.db2.gz HSQUDYKAMQSANT-SNVBAGLBSA-N 2 0 225.336 0.101 20 0 BCADRP CC(C)[C@H]([NH3+])CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000332014265 187365885 /nfs/dbraw/zinc/36/58/85/187365885.db2.gz PZTSTOAHMCMOPG-TUAOUCFPSA-N 2 0 213.369 0.947 20 0 BCADRP CC[C@@H]1CN(C)CCN1C(=O)[C@@H](C)[NH+](C)C ZINC000635973003 346128792 /nfs/dbraw/zinc/12/87/92/346128792.db2.gz WEHDTCVZKKMYTQ-GHMZBOCLSA-N 2 0 227.352 0.489 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000429410433 192098068 /nfs/dbraw/zinc/09/80/68/192098068.db2.gz QTSGBTRSFPMBDD-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H](C(=O)NCC[N@@H+]1CCCC1(C)C)[NH+](C)C ZINC000636008947 346151843 /nfs/dbraw/zinc/15/18/43/346151843.db2.gz GMYCTFBMCUVPQZ-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334232042 133596654 /nfs/dbraw/zinc/59/66/54/133596654.db2.gz MLDBDNIBBDZYEA-JQWIXIFHSA-N 2 0 225.336 0.326 20 0 BCADRP CC[NH+](CC)CC[C@H](CO)[NH2+]C1CCOCC1 ZINC000641771174 362708515 /nfs/dbraw/zinc/70/85/15/362708515.db2.gz DGFQRNYHJDFURT-CYBMUJFWSA-N 2 0 244.379 0.848 20 0 BCADRP C[NH+](C)CCCNC(=O)CCCC[NH3+] ZINC000069732786 349954681 /nfs/dbraw/zinc/95/46/81/349954681.db2.gz JYPBMFHPLXGGSH-UHFFFAOYSA-N 2 0 201.314 0.183 20 0 BCADRP C[C@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C ZINC000636156675 346338814 /nfs/dbraw/zinc/33/88/14/346338814.db2.gz UYUTWYUQPXRERN-GHMZBOCLSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H](C(=O)NC[C@@H]1CCCC[N@H+](C)C1)[NH+](C)C ZINC000636272575 346374633 /nfs/dbraw/zinc/37/46/33/346374633.db2.gz OHAAFXJUFMTZKD-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)CCCC[NH3+] ZINC000069734082 349956391 /nfs/dbraw/zinc/95/63/91/349956391.db2.gz FTBJZHIOCNIYHG-LLVKDONJSA-N 2 0 229.368 0.962 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000300360131 346432181 /nfs/dbraw/zinc/43/21/81/346432181.db2.gz UFPKXUKDCPAQTK-PWSUYJOCSA-N 2 0 225.336 0.339 20 0 BCADRP Cn1cncc1CC[N@H+](C)C1CC([NH3+])C1 ZINC000641799965 362744467 /nfs/dbraw/zinc/74/44/67/362744467.db2.gz UAAMQRAFMDPDJU-UHFFFAOYSA-N 2 0 208.309 0.384 20 0 BCADRP C[N@H+](CCCN1CCOCC1)C1CC[NH2+]CC1 ZINC000215991715 349965727 /nfs/dbraw/zinc/96/57/27/349965727.db2.gz PBNWXWUZOPCCBU-UHFFFAOYSA-N 2 0 241.379 0.393 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000248942655 346462033 /nfs/dbraw/zinc/46/20/33/346462033.db2.gz AAWDSAKXXYMWMI-SDDRHHMPSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@](C)(CN)[NH2+]CCc1cncn1C ZINC000641799325 362748330 /nfs/dbraw/zinc/74/83/30/362748330.db2.gz UJUQCSCQIKLWJC-LBPRGKRZSA-N 2 0 224.352 0.926 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000574974726 346478212 /nfs/dbraw/zinc/47/82/12/346478212.db2.gz NHIDJRLPGMCCBH-RCWTZXSCSA-N 2 0 225.336 0.099 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC1=CC[NH2+]CC1 ZINC000186306883 346502443 /nfs/dbraw/zinc/50/24/43/346502443.db2.gz CZXRUOPAQRYZRJ-NSHDSACASA-N 2 0 225.336 0.396 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000580072526 346508962 /nfs/dbraw/zinc/50/89/62/346508962.db2.gz MNNMJEABXUIPDH-OUAUKWLOSA-N 2 0 225.336 0.385 20 0 BCADRP CCCn1ncnc1CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641800628 362751320 /nfs/dbraw/zinc/75/13/20/362751320.db2.gz CAKDSRNPJZIKNL-ZJUUUORDSA-N 2 0 237.351 0.904 20 0 BCADRP CCCn1ncnc1CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641800625 362751571 /nfs/dbraw/zinc/75/15/71/362751571.db2.gz CAKDSRNPJZIKNL-NXEZZACHSA-N 2 0 237.351 0.904 20 0 BCADRP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)CS(C)(=O)=O ZINC000641801355 362754939 /nfs/dbraw/zinc/75/49/39/362754939.db2.gz BQWMXJSYWOTZJQ-BBBLOLIVSA-N 2 0 248.392 0.383 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC000641801500 362756901 /nfs/dbraw/zinc/75/69/01/362756901.db2.gz RFNQMBRXROUQCU-OPRDCNLKSA-N 2 0 235.335 0.481 20 0 BCADRP CCN(C)C(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641802290 362757804 /nfs/dbraw/zinc/75/78/04/362757804.db2.gz ITXQZIRXHGXMOK-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1CC[C@H](C[NH3+])N(CCOCC[NH3+])[C@H]1C ZINC000641805696 362760016 /nfs/dbraw/zinc/76/00/16/362760016.db2.gz GMLDLTWXYNVPCA-GRYCIOLGSA-N 3 0 229.368 0.409 20 0 BCADRP [NH3+][C@H](C(=O)NCC1=CC[NH2+]CC1)c1ccccc1 ZINC000186328125 346501724 /nfs/dbraw/zinc/50/17/24/346501724.db2.gz IYYZBVUYXCTRIF-ZDUSSCGKSA-N 2 0 245.326 0.722 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158293078 535050818 /nfs/dbraw/zinc/05/08/18/535050818.db2.gz DQLYHMAJLDIDQB-CMPLNLGQSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N)C[C@H](C)[NH2+]1 ZINC000187177740 346559217 /nfs/dbraw/zinc/55/92/17/346559217.db2.gz YUHUFZQZMYUACY-DTORHVGOSA-N 2 0 234.303 0.486 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186840106 346540354 /nfs/dbraw/zinc/54/03/54/346540354.db2.gz SPYIKTDHSXWDMQ-VHSXEESVSA-N 2 0 213.325 0.100 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336559305 187369442 /nfs/dbraw/zinc/36/94/42/187369442.db2.gz DRJAFJLYVRGSSG-NEPJUHHUSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@H](NC(=O)[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000580713476 346595481 /nfs/dbraw/zinc/59/54/81/346595481.db2.gz RXHYVWNAAKRTTI-GARJFASQSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C[NH2+]C2CC2)C[N@@H+]1C1CC1 ZINC000580644714 365832039 /nfs/dbraw/zinc/83/20/39/365832039.db2.gz VNLPYMORJZUUQN-GXSJLCMTSA-N 2 0 237.347 0.480 20 0 BCADRP C[NH2+]CC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000178217186 346662489 /nfs/dbraw/zinc/66/24/89/346662489.db2.gz XJVANCMNIXKXQK-MRVPVSSYSA-N 2 0 207.277 0.864 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccnc(C[NH3+])c1 ZINC000562978024 346663447 /nfs/dbraw/zinc/66/34/47/346663447.db2.gz RMJHHMMGUWULGY-NSHDSACASA-N 2 0 248.330 0.411 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000563623579 323132098 /nfs/dbraw/zinc/13/20/98/323132098.db2.gz LCQIKESMZZJJOL-LPEHRKFASA-N 2 0 213.325 0.167 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000580647096 365842771 /nfs/dbraw/zinc/84/27/71/365842771.db2.gz NOUVDYBKICYROV-ZWNOBZJWSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H](NC(=O)CCCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000580189925 346643271 /nfs/dbraw/zinc/64/32/71/346643271.db2.gz LJNHZQZVNDKXQU-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]([NH3+])C(C)C ZINC000167322523 346705437 /nfs/dbraw/zinc/70/54/37/346705437.db2.gz DXMLAUDGRCPYCT-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP CN(C)C(=O)C(C)(C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000577165985 365849678 /nfs/dbraw/zinc/84/96/78/365849678.db2.gz LDRDZSIBSDYGBB-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@H](C)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000037173268 346676863 /nfs/dbraw/zinc/67/68/63/346676863.db2.gz WIHWHIUXXVMMAL-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)N[C@H](C)C[NH+](C)C ZINC000352711299 187370419 /nfs/dbraw/zinc/37/04/19/187370419.db2.gz AKEYFXSZXCYMQK-LLVKDONJSA-N 2 0 244.383 0.576 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)[N@H+](C)C1CC1 ZINC000300422204 346746220 /nfs/dbraw/zinc/74/62/20/346746220.db2.gz WUVZITFKJYAFDA-SCVCMEIPSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCC[NH3+] ZINC000518766810 346793089 /nfs/dbraw/zinc/79/30/89/346793089.db2.gz URQKOGYUTMWHSP-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C[C@@]13C[C@@H]1C[NH2+]C3)C2 ZINC000622004864 370655534 /nfs/dbraw/zinc/65/55/34/370655534.db2.gz VXKGSTIBTRIKQT-NDBYEHHHSA-N 2 0 221.348 0.409 20 0 BCADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@H]1CO ZINC000622004858 370655783 /nfs/dbraw/zinc/65/57/83/370655783.db2.gz VTRAFYPUHCJLTC-YPMHNXCESA-N 2 0 226.364 0.936 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](C)C[NH3+] ZINC000380213168 347147290 /nfs/dbraw/zinc/14/72/90/347147290.db2.gz HNCZGNRECQRFDR-DTWKUNHWSA-N 2 0 201.314 0.071 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)[C@H]1C ZINC000582056711 347151323 /nfs/dbraw/zinc/15/13/23/347151323.db2.gz ZFGYUMBKHVYZAT-VWYCJHECSA-N 2 0 225.336 0.052 20 0 BCADRP [NH3+]CCC1CC[NH+](CC(=O)NCC2CC2)CC1 ZINC000070188382 349975531 /nfs/dbraw/zinc/97/55/31/349975531.db2.gz WMEHBAKGMDKSAK-UHFFFAOYSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000571158141 323136926 /nfs/dbraw/zinc/13/69/26/323136926.db2.gz YCTJNMIUCCDFIC-CIUDSAMLSA-N 2 0 213.325 0.226 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000309758210 347156875 /nfs/dbraw/zinc/15/68/75/347156875.db2.gz IAPDXXASQYLHBW-ZJUUUORDSA-N 2 0 215.341 0.603 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000580328422 347162370 /nfs/dbraw/zinc/16/23/70/347162370.db2.gz URIVDHNKKPXBLQ-UWVGGRQHSA-N 2 0 215.341 0.426 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC(C[NH3+])CC1 ZINC000309797052 347164132 /nfs/dbraw/zinc/16/41/32/347164132.db2.gz QJCOGRKFLCIRDL-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(SC)CC1 ZINC000601323462 347205860 /nfs/dbraw/zinc/20/58/60/347205860.db2.gz AQWBZISJWXBCRG-LLVKDONJSA-N 2 0 232.393 0.784 20 0 BCADRP Cn1cc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000087765873 362786653 /nfs/dbraw/zinc/78/66/53/362786653.db2.gz FJJYDYSPQGTDFV-NEPJUHHUSA-N 2 0 222.336 0.822 20 0 BCADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000250331868 362799905 /nfs/dbraw/zinc/79/99/05/362799905.db2.gz OPKNAKVJRNXKJA-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000310307303 347260759 /nfs/dbraw/zinc/26/07/59/347260759.db2.gz SAFWZIWLTPRPCN-IUCAKERBSA-N 2 0 249.305 0.569 20 0 BCADRP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(CC[NH3+])CC1 ZINC000070188515 349975806 /nfs/dbraw/zinc/97/58/06/349975806.db2.gz BWWSHYIIGXQSOX-JTQLQIEISA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000019409410 347323135 /nfs/dbraw/zinc/32/31/35/347323135.db2.gz ITUGWEYRMNACAI-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000019436574 347324026 /nfs/dbraw/zinc/32/40/26/347324026.db2.gz UFPGKKCEKGXULP-NXEZZACHSA-N 2 0 215.341 0.428 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[NH+](C)C ZINC000019513363 347339176 /nfs/dbraw/zinc/33/91/76/347339176.db2.gz INSMHMSENKQJJL-RKDXNWHRSA-N 2 0 201.314 0.038 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000382547445 347356188 /nfs/dbraw/zinc/35/61/88/347356188.db2.gz GHFLPXKSNIVANU-QJPTWQEYSA-N 2 0 230.352 0.491 20 0 BCADRP O=C1CC[C@H]([NH2+]CCC[NH+]2CCCC2)CCN1 ZINC000396733285 362831470 /nfs/dbraw/zinc/83/14/70/362831470.db2.gz GDILKNJHNGEVKV-LBPRGKRZSA-N 2 0 239.363 0.731 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000088050909 362841486 /nfs/dbraw/zinc/84/14/86/362841486.db2.gz HDGTZVQZNKDEDE-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000571558338 323147874 /nfs/dbraw/zinc/14/78/74/323147874.db2.gz VYRIHFRNEKPDCW-MMWGEVLESA-N 2 0 242.367 0.491 20 0 BCADRP CC[C@@H]1C(=O)NCC[N@H+]1CC1CC[NH2+]CC1 ZINC000082476689 347618397 /nfs/dbraw/zinc/61/83/97/347618397.db2.gz SCANZYUVVIHKNX-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](CCn2cccn2)CC1 ZINC000082475146 347614949 /nfs/dbraw/zinc/61/49/49/347614949.db2.gz UBRCFLSXACVWBZ-NSHDSACASA-N 2 0 222.336 0.942 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000252882376 347670226 /nfs/dbraw/zinc/67/02/26/347670226.db2.gz ZJTBOPNSRAYPRX-GUBZILKMSA-N 2 0 225.336 0.323 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000577281217 365916524 /nfs/dbraw/zinc/91/65/24/365916524.db2.gz UOTHATPFDYZSJE-GBIKHYSHSA-N 2 0 237.347 0.243 20 0 BCADRP CCN(C)C[C@H](O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000577290231 365919453 /nfs/dbraw/zinc/91/94/53/365919453.db2.gz HILTYISVMWKSHN-AGIUHOORSA-N 2 0 242.363 0.410 20 0 BCADRP C[C@H](C(=O)NCC1(C)CC[NH2+]CC1)C1C[NH2+]C1 ZINC000577371144 365936530 /nfs/dbraw/zinc/93/65/30/365936530.db2.gz PJXRNZHQHXWMCK-JTQLQIEISA-N 2 0 239.363 0.348 20 0 BCADRP C[N@H+](CCn1nnnc1C[NH3+])Cc1ccccc1 ZINC000577370200 365936603 /nfs/dbraw/zinc/93/66/03/365936603.db2.gz ZAMWTXICIIVGRF-UHFFFAOYSA-N 2 0 246.318 0.264 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000577377778 365939047 /nfs/dbraw/zinc/93/90/47/365939047.db2.gz ZVVHNSSCFXSJIR-AOOOYVTPSA-N 2 0 213.325 0.182 20 0 BCADRP COCC[C@@H](C)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397080137 362850755 /nfs/dbraw/zinc/85/07/55/362850755.db2.gz FWKUSCYERZBADE-SNVBAGLBSA-N 2 0 216.325 0.197 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000577392071 365944361 /nfs/dbraw/zinc/94/43/61/365944361.db2.gz LVCJPISKJVZOPJ-OUAUKWLOSA-N 2 0 242.367 0.506 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@H]([NH3+])CC(F)F ZINC000577396944 365945844 /nfs/dbraw/zinc/94/58/44/365945844.db2.gz UQUXWQPPLJNSCA-DJLDLDEBSA-N 2 0 249.305 0.603 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000577404655 365946999 /nfs/dbraw/zinc/94/69/99/365946999.db2.gz NYWSKKHNGDXMSP-QWHCGFSZSA-N 2 0 243.395 0.373 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCC[C@@H](C)[NH3+] ZINC000296508712 179341488 /nfs/dbraw/zinc/34/14/88/179341488.db2.gz RJYOZKMDOUOUSP-PWSUYJOCSA-N 2 0 235.331 0.848 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000038098263 348053026 /nfs/dbraw/zinc/05/30/26/348053026.db2.gz DVZBVUPMNYXCKM-NSHDSACASA-N 2 0 227.352 0.570 20 0 BCADRP CC1(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCC1 ZINC000594739305 348110310 /nfs/dbraw/zinc/11/03/10/348110310.db2.gz UINSNXBVYQERJP-WDEREUQCSA-N 2 0 237.347 0.420 20 0 BCADRP C[NH+](C)CCC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000595139829 348198241 /nfs/dbraw/zinc/19/82/41/348198241.db2.gz ZPWRNHQHKKSVJO-LLVKDONJSA-N 2 0 237.351 0.466 20 0 BCADRP O[C@H](C[NH2+]CCC1(O)CCC1)C[NH+]1CCCC1 ZINC000397723051 362901961 /nfs/dbraw/zinc/90/19/61/362901961.db2.gz XHHUMGMAMYFFDX-GFCCVEGCSA-N 2 0 242.363 0.338 20 0 BCADRP CCC[C@H](C[NH2+]CC1(O)CC[NH+](C)CC1)OC ZINC000397698075 362901079 /nfs/dbraw/zinc/90/10/79/362901079.db2.gz ZSFNLALUKLTHHA-GFCCVEGCSA-N 2 0 244.379 0.848 20 0 BCADRP CC(C)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595903543 348395407 /nfs/dbraw/zinc/39/54/07/348395407.db2.gz XYCZOJFDQANUNB-AXFHLTTASA-N 2 0 225.336 0.275 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)CC[NH2+]C1CC1 ZINC000054133589 348892249 /nfs/dbraw/zinc/89/22/49/348892249.db2.gz YTOKSCYTGFLGNL-UHFFFAOYSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC(C)(C)[NH+](C)C ZINC000054076139 348878627 /nfs/dbraw/zinc/87/86/27/348878627.db2.gz AUSZBYRLWZEOMS-QMMMGPOBSA-N 2 0 201.314 0.051 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[NH+]1CCCCCC1 ZINC000054076095 348878725 /nfs/dbraw/zinc/87/87/25/348878725.db2.gz FEZPVKPOLLYKDA-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)[NH2+]C ZINC000054076845 348880200 /nfs/dbraw/zinc/88/02/00/348880200.db2.gz LIFBWEQDDOPEGM-ZJUUUORDSA-N 2 0 215.341 0.441 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000054074460 348889457 /nfs/dbraw/zinc/88/94/57/348889457.db2.gz DAKCGJDQNXMKIX-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP CCC[NH+]1CCC(NC(=O)C2(C)C[NH2+]C2)CC1 ZINC000399253598 323202164 /nfs/dbraw/zinc/20/21/64/323202164.db2.gz NMQARIBHVQUVGK-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)[C@H](C)C[NH3+])CC1 ZINC000054339661 348988250 /nfs/dbraw/zinc/98/82/50/348988250.db2.gz OWSUYZXOONFUOA-SNVBAGLBSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]CCC(=O)N(C)CC(C)(C)C[NH3+] ZINC000308913974 349066730 /nfs/dbraw/zinc/06/67/30/349066730.db2.gz AVSXLSKEHSGMJL-UHFFFAOYSA-N 2 0 201.314 0.039 20 0 BCADRP COC(=O)CCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000599268755 349136470 /nfs/dbraw/zinc/13/64/70/349136470.db2.gz ICJABZQKJIJFLA-PHIMTYICSA-N 2 0 226.320 0.481 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000248838485 349142202 /nfs/dbraw/zinc/14/22/02/349142202.db2.gz DXYUMDPCPVYYOL-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC000599323591 349156079 /nfs/dbraw/zinc/15/60/79/349156079.db2.gz HAYFFQPPNKJXHF-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000248986148 349158389 /nfs/dbraw/zinc/15/83/89/349158389.db2.gz GIQVZGMROJQDCH-LPEHRKFASA-N 2 0 213.325 0.180 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000250149281 349167069 /nfs/dbraw/zinc/16/70/69/349167069.db2.gz VSGTXUYRTWDVAS-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000372502292 190971387 /nfs/dbraw/zinc/97/13/87/190971387.db2.gz FWFALSJPWFFASK-SECBINFHSA-N 2 0 213.325 0.372 20 0 BCADRP CN1CCN(C)[C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000250400873 349171161 /nfs/dbraw/zinc/17/11/61/349171161.db2.gz SKLUKIFSVJSGGH-FRRDWIJNSA-N 2 0 240.395 0.092 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](C)C[NH3+])C1 ZINC000250522423 349175229 /nfs/dbraw/zinc/17/52/29/349175229.db2.gz TYXWYLDIRDPVBW-GHMZBOCLSA-N 2 0 227.352 0.428 20 0 BCADRP CC[C@H](C(=O)N[C@H](C)[C@H](C)[NH3+])[NH+](CC)CC ZINC000449604737 201983506 /nfs/dbraw/zinc/98/35/06/201983506.db2.gz UHVOESXRFNNQSI-HBNTYKKESA-N 2 0 229.368 0.959 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252851470 349218618 /nfs/dbraw/zinc/21/86/18/349218618.db2.gz IBQUEOKFVAYRRW-YFKTTZPYSA-N 2 0 239.363 0.665 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000252850248 349218961 /nfs/dbraw/zinc/21/89/61/349218961.db2.gz HMQSQMKLXQZWDF-GRYCIOLGSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000252852521 349219174 /nfs/dbraw/zinc/21/91/74/349219174.db2.gz IRHILZFQYKHCQM-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000253164811 349227963 /nfs/dbraw/zinc/22/79/63/349227963.db2.gz YJWSOEKJMZMPQH-IJLUTSLNSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000309021690 349305604 /nfs/dbraw/zinc/30/56/04/349305604.db2.gz XNYMZUZTQPQHJG-JGVFFNPUSA-N 2 0 201.314 0.213 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422539393 192424433 /nfs/dbraw/zinc/42/44/33/192424433.db2.gz KGKMBWSUIREEFD-YFKTTZPYSA-N 2 0 241.379 0.674 20 0 BCADRP C[NH+](C)CCCNC(=O)c1ccccc1CC[NH3+] ZINC000070541533 350018486 /nfs/dbraw/zinc/01/84/86/350018486.db2.gz HPCBZVTXJDJCHB-UHFFFAOYSA-N 2 0 249.358 0.869 20 0 BCADRP CC[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)CCOC ZINC000380971536 350021200 /nfs/dbraw/zinc/02/12/00/350021200.db2.gz APWHGKLVMCSBEV-NEPJUHHUSA-N 2 0 232.368 0.656 20 0 BCADRP C[N@@H+]1CCC[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000070617358 350031218 /nfs/dbraw/zinc/03/12/18/350031218.db2.gz GKYSAOYVWGQHFG-NSHDSACASA-N 2 0 212.337 0.954 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000563098572 350036857 /nfs/dbraw/zinc/03/68/57/350036857.db2.gz XOYBYZBKMRYACT-SNVBAGLBSA-N 2 0 213.325 0.276 20 0 BCADRP [NH3+]CCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000563102906 350056629 /nfs/dbraw/zinc/05/66/29/350056629.db2.gz KOYVUJUFTXLXCM-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP Cc1cnn(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000303029873 350103812 /nfs/dbraw/zinc/10/38/12/350103812.db2.gz RORMBYQLCGCJSJ-RYUDHWBXSA-N 2 0 220.320 0.343 20 0 BCADRP Cc1ncccc1CNC[C@@](C)(O)C[NH+](C)C ZINC000131488616 191016567 /nfs/dbraw/zinc/01/65/67/191016567.db2.gz OJUIUZZXKMANIS-CYBMUJFWSA-N 2 0 237.347 0.792 20 0 BCADRP COCCN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604389819 350119534 /nfs/dbraw/zinc/11/95/34/350119534.db2.gz VOWFLQIDHVTESV-ZDUSSCGKSA-N 2 0 241.379 0.345 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000219997484 350154860 /nfs/dbraw/zinc/15/48/60/350154860.db2.gz GMFQYOXQIFXQJW-GXSJLCMTSA-N 2 0 227.352 0.569 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000422735594 192448251 /nfs/dbraw/zinc/44/82/51/192448251.db2.gz WGNYFCFVXCDUHW-ZJUUUORDSA-N 2 0 215.341 0.332 20 0 BCADRP CC(C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000133789110 191042830 /nfs/dbraw/zinc/04/28/30/191042830.db2.gz BHGXIKBYMBENEH-VXGBXAGGSA-N 2 0 241.379 0.973 20 0 BCADRP Nc1cc(CN2CCC[NH2+]CC2)ccn1 ZINC000314582507 350173602 /nfs/dbraw/zinc/17/36/02/350173602.db2.gz GXKAWGDPERISDR-UHFFFAOYSA-N 2 0 206.293 0.459 20 0 BCADRP Cc1ncc(C[N@H+](C)CCOCC[NH3+])s1 ZINC000357102165 180136639 /nfs/dbraw/zinc/13/66/39/180136639.db2.gz IVOXDSJGLSFPAG-UHFFFAOYSA-N 2 0 229.349 0.859 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)NCC1([NH3+])CCCCC1 ZINC000637117096 350205042 /nfs/dbraw/zinc/20/50/42/350205042.db2.gz AWGSHMBQILDQIJ-SECBINFHSA-N 2 0 228.340 0.294 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)[C@@H]1CC[NH3+] ZINC000653232741 490393850 /nfs/dbraw/zinc/39/38/50/490393850.db2.gz IMGGFMGIQBJLFU-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000653232636 490393856 /nfs/dbraw/zinc/39/38/56/490393856.db2.gz GLRSQOVRLCPKJW-LPEHRKFASA-N 2 0 213.325 0.310 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+](C)C ZINC000427565293 191081690 /nfs/dbraw/zinc/08/16/90/191081690.db2.gz NDTDFJYDKSSMBD-IJLUTSLNSA-N 2 0 241.379 0.687 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000426433318 191083725 /nfs/dbraw/zinc/08/37/25/191083725.db2.gz NOBLTZOIKVBPRY-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000427592101 191083483 /nfs/dbraw/zinc/08/34/83/191083483.db2.gz OEWGEERCHIWCRA-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000427614385 191084712 /nfs/dbraw/zinc/08/47/12/191084712.db2.gz WPUSACYJBKDKKA-UMNHJUIQSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000309258578 350243246 /nfs/dbraw/zinc/24/32/46/350243246.db2.gz HEJFREQJIHBRDP-AEJSXWLSSA-N 2 0 213.325 0.165 20 0 BCADRP Cc1ncn(C[C@H](O)C[N@@H+](C)C2CC2)c1C ZINC000289778965 180288015 /nfs/dbraw/zinc/28/80/15/180288015.db2.gz KWQOTYMSRHYXIJ-GFCCVEGCSA-N 2 0 223.320 0.955 20 0 BCADRP CC(C)[C@H](C(=O)NCC[C@H](C)[NH3+])[C@@H](C)[NH3+] ZINC000422779803 192464952 /nfs/dbraw/zinc/46/49/52/192464952.db2.gz JEXFQHCPDBBKDF-AEJSXWLSSA-N 2 0 215.341 0.459 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000606344811 350314833 /nfs/dbraw/zinc/31/48/33/350314833.db2.gz IABRUKIRVWUYFN-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000606345341 350315101 /nfs/dbraw/zinc/31/51/01/350315101.db2.gz ZKCYXKWKFGIAKT-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000606371682 350319092 /nfs/dbraw/zinc/31/90/92/350319092.db2.gz PHQXCNNPIPQJRZ-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000309351158 350324343 /nfs/dbraw/zinc/32/43/43/350324343.db2.gz NDEWQRFPSCWALH-VIFPVBQESA-N 2 0 213.325 0.169 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000309374111 350362273 /nfs/dbraw/zinc/36/22/73/350362273.db2.gz CLAIRBCCZXSPOU-UWVGGRQHSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@H](CNC(=O)CC[C@H](C)[NH3+])[NH+](C)C ZINC000069839629 350412797 /nfs/dbraw/zinc/41/27/97/350412797.db2.gz FVVCLOQAAGLVKV-DTWKUNHWSA-N 2 0 201.314 0.180 20 0 BCADRP CC[NH2+]Cc1ccccc1NC(=O)C[NH3+] ZINC000309427892 350452634 /nfs/dbraw/zinc/45/26/34/350452634.db2.gz KODFKQHDCWHZGR-UHFFFAOYSA-N 2 0 207.277 0.693 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)NCC[NH2+]C1CC1 ZINC000637339514 350464854 /nfs/dbraw/zinc/46/48/54/350464854.db2.gz IODNACMCUFFRQB-LLVKDONJSA-N 2 0 240.351 0.132 20 0 BCADRP Cc1nn(C)cc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228152314 180374267 /nfs/dbraw/zinc/37/42/67/180374267.db2.gz PQUZVNXHGPPKLN-GXSJLCMTSA-N 2 0 222.336 0.898 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000163257890 350511742 /nfs/dbraw/zinc/51/17/42/350511742.db2.gz LRKZTIXDQOWGIK-UPJWGTAASA-N 2 0 241.379 0.247 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000577474101 365962142 /nfs/dbraw/zinc/96/21/42/365962142.db2.gz RJZDPYRYMYFHSX-QWRGUYRKSA-N 2 0 227.352 0.490 20 0 BCADRP [NH3+]C1(CNC(=O)C[NH2+]C2CC2)CCCCCC1 ZINC000577474041 365962588 /nfs/dbraw/zinc/96/25/88/365962588.db2.gz NUQCQPPQYVAIMB-UHFFFAOYSA-N 2 0 239.363 0.906 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000577489298 365967239 /nfs/dbraw/zinc/96/72/39/365967239.db2.gz PWZKPQLNOSNMTJ-GHMZBOCLSA-N 2 0 241.379 0.879 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000577493098 365968020 /nfs/dbraw/zinc/96/80/20/365968020.db2.gz SQCZIJJEGHUMNZ-SECBINFHSA-N 2 0 234.303 0.321 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000062116688 350539956 /nfs/dbraw/zinc/53/99/56/350539956.db2.gz UJZKOOYKXLJQLX-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCCCC[NH3+] ZINC000577512120 365976086 /nfs/dbraw/zinc/97/60/86/365976086.db2.gz KBXYRJRYDZDELG-PWSUYJOCSA-N 2 0 227.352 0.749 20 0 BCADRP C[C@H]1CC[N@H+](CCn2ccnc2)[C@H](C(N)=O)C1 ZINC000187411124 350601959 /nfs/dbraw/zinc/60/19/59/350601959.db2.gz KMUNLIMZYGGPCZ-QWRGUYRKSA-N 2 0 236.319 0.469 20 0 BCADRP O[C@H](C[NH2+]CCc1ccco1)C[NH+]1CCCC1 ZINC000038059454 350594490 /nfs/dbraw/zinc/59/44/90/350594490.db2.gz HAGKDOJKUUOCLB-GFCCVEGCSA-N 2 0 238.331 0.868 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000157121218 191116669 /nfs/dbraw/zinc/11/66/69/191116669.db2.gz PQEHNSGYEGYAFQ-QWRGUYRKSA-N 2 0 229.368 0.672 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)NCC[NH2+]C1CC1 ZINC000637479407 350632471 /nfs/dbraw/zinc/63/24/71/350632471.db2.gz UCELIOIGZPIZOJ-UHFFFAOYSA-N 2 0 242.367 0.426 20 0 BCADRP C[C@@H]1C[C@H](NC[C@@H](O)C[NH+](C)C)C[N@@H+]1C1CC1 ZINC000346696405 365992342 /nfs/dbraw/zinc/99/23/42/365992342.db2.gz PGVYGTSNTFPTHN-NTZNESFSSA-N 2 0 241.379 0.124 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237521301 350750807 /nfs/dbraw/zinc/75/08/07/350750807.db2.gz CNUWNMHXCATPFD-WAAKLRNESA-N 2 0 239.363 0.618 20 0 BCADRP C[NH2+]CCC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000309507373 323420116 /nfs/dbraw/zinc/42/01/16/323420116.db2.gz WHIKANKZJYMUHM-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH2+]CCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000637586339 350738955 /nfs/dbraw/zinc/73/89/55/350738955.db2.gz SSPYFBLOEZCARL-PHIMTYICSA-N 2 0 240.351 0.132 20 0 BCADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC1(C)C ZINC000623559619 362982363 /nfs/dbraw/zinc/98/23/63/362982363.db2.gz ICWCUAFMMUZGLR-MXWKQRLJSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](CC2(C[NH3+])CC2)CC1 ZINC000571208255 350869989 /nfs/dbraw/zinc/86/99/89/350869989.db2.gz MNTKWJUFEXPFHB-SNVBAGLBSA-N 3 0 211.353 0.785 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH3+])CC1 ZINC000571174723 350867000 /nfs/dbraw/zinc/86/70/00/350867000.db2.gz TUEHXZFQTACEMG-UHFFFAOYSA-N 2 0 241.379 0.914 20 0 BCADRP CSC1(C[NH2+]C[C@H](C)O)CC[NH+](C)CC1 ZINC000577603477 366014083 /nfs/dbraw/zinc/01/40/83/366014083.db2.gz FWYNBTXDPUWYSZ-JTQLQIEISA-N 2 0 232.393 0.784 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)CC[NH2+]C(C)C)C1 ZINC000571402424 350974916 /nfs/dbraw/zinc/97/49/16/350974916.db2.gz UCCQXTLMFMSRFZ-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000079515874 351070475 /nfs/dbraw/zinc/07/04/75/351070475.db2.gz BTBGHFPGLBMUSQ-AAEUAGOBSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]CCN1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000616671082 351231761 /nfs/dbraw/zinc/23/17/61/351231761.db2.gz GKNXZXBEUIHMIX-SNVBAGLBSA-N 2 0 205.305 0.583 20 0 BCADRP [NH3+]CCN1c2ccccc2CC[C@H]1C[NH3+] ZINC000616671261 351232267 /nfs/dbraw/zinc/23/22/67/351232267.db2.gz SWUWLEWBIAMJDK-NSHDSACASA-N 2 0 205.305 0.725 20 0 BCADRP CCN1CCN(C(=O)CCn2ccnc2)CC1 ZINC000264171623 351224800 /nfs/dbraw/zinc/22/48/00/351224800.db2.gz WALYSMXWJFXTMC-UHFFFAOYSA-N 2 0 236.319 0.437 20 0 BCADRP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252717075 535159903 /nfs/dbraw/zinc/15/99/03/535159903.db2.gz ZSEGQNVXHALTGD-GRYCIOLGSA-N 2 0 214.353 0.933 20 0 BCADRP CC(C)[C@H](O)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000229973470 535160179 /nfs/dbraw/zinc/16/01/79/535160179.db2.gz VGRUQWMWBUBAKY-OUAUKWLOSA-N 2 0 200.326 0.720 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000335463005 133854504 /nfs/dbraw/zinc/85/45/04/133854504.db2.gz JKUKJGKZCWXGEJ-NXEZZACHSA-N 2 0 225.336 0.276 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000572156762 323553824 /nfs/dbraw/zinc/55/38/24/323553824.db2.gz XIGCZZBZXSSVGF-SRVKXCTJSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CCC[C@H](O)C1 ZINC000414671328 351577993 /nfs/dbraw/zinc/57/79/93/351577993.db2.gz NVNJQYVDDMUDDR-QWRGUYRKSA-N 2 0 200.326 0.817 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000577625652 366023839 /nfs/dbraw/zinc/02/38/39/366023839.db2.gz OXARJTXEAOJEHL-PWSUYJOCSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000577637036 366027907 /nfs/dbraw/zinc/02/79/07/366027907.db2.gz GOUAWTHSDBZGHT-WHOHXGKFSA-N 2 0 237.347 0.467 20 0 BCADRP COc1cccc([C@H]([NH3+])C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000637802730 351634737 /nfs/dbraw/zinc/63/47/37/351634737.db2.gz UBJASDVWIODPJE-PWSUYJOCSA-N 2 0 249.314 0.255 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000637817313 351661350 /nfs/dbraw/zinc/66/13/50/351661350.db2.gz SPHUMABSBSDXII-MNOVXSKESA-N 2 0 223.320 0.292 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H](C)[NH+](C)C ZINC000637804774 351637829 /nfs/dbraw/zinc/63/78/29/351637829.db2.gz BBRKQSXHSYEQAX-GMTAPVOTSA-N 2 0 227.352 0.665 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CCC1C[NH2+]C1 ZINC000637806266 351643076 /nfs/dbraw/zinc/64/30/76/351643076.db2.gz QRSMNHXDSNCSSI-CMPLNLGQSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]CCCNC(=O)c1oc(C[NH3+])cc1C ZINC000637806888 351643910 /nfs/dbraw/zinc/64/39/10/351643910.db2.gz XGDFHDJMKASGHY-UHFFFAOYSA-N 2 0 225.292 0.386 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N(C2CC2)C2CC[NH2+]CC2)C1 ZINC000637807450 351644519 /nfs/dbraw/zinc/64/45/19/351644519.db2.gz XKOKXGNZWUJGFZ-LLVKDONJSA-N 2 0 249.358 0.777 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000637807638 351644607 /nfs/dbraw/zinc/64/46/07/351644607.db2.gz KOIMQAYTPKPPIQ-GMTAPVOTSA-N 2 0 227.352 0.713 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N(C)C1CC[NH2+]CC1 ZINC000637809757 351646804 /nfs/dbraw/zinc/64/68/04/351646804.db2.gz YFMYAIXBKLBPIW-GFCCVEGCSA-N 2 0 241.379 0.960 20 0 BCADRP C[N@H+](CC(=O)N[C@H]1CC[NH2+]C1)CC(C)(C)C ZINC000637810161 351650359 /nfs/dbraw/zinc/65/03/59/351650359.db2.gz BAYSWJGQIRKCKC-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000637815810 351654930 /nfs/dbraw/zinc/65/49/30/351654930.db2.gz XVCLJDAFGOZTBT-NWDGAFQWSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H](C(=O)N1CCCC[C@@H]1C[NH3+])[NH+](C)C ZINC000637816877 351656670 /nfs/dbraw/zinc/65/66/70/351656670.db2.gz MJQRDHJWYPCWKX-NXEZZACHSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC000637817097 351658523 /nfs/dbraw/zinc/65/85/23/351658523.db2.gz POLABZDAGPITNX-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000637798745 351627124 /nfs/dbraw/zinc/62/71/24/351627124.db2.gz IEBDOQUUUAQONM-PWSUYJOCSA-N 2 0 237.347 0.492 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH2+]CC2)C1 ZINC000637798717 351627339 /nfs/dbraw/zinc/62/73/39/351627339.db2.gz PMYKMXZSNSIQGH-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H](C(=O)NCCCC[NH+](C)C)[NH+]1CC(C)C1 ZINC000577647392 366030905 /nfs/dbraw/zinc/03/09/05/366030905.db2.gz MMYDZLQUSLBSIT-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000637797703 351629789 /nfs/dbraw/zinc/62/97/89/351629789.db2.gz BUSZKEFACCOWPQ-MNOVXSKESA-N 2 0 227.352 0.395 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CCC1C[NH2+]C1 ZINC000637848779 351706361 /nfs/dbraw/zinc/70/63/61/351706361.db2.gz KLRPIRLTCOAVJF-JTQLQIEISA-N 2 0 213.325 0.086 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000637832718 351681974 /nfs/dbraw/zinc/68/19/74/351681974.db2.gz JZAAJTRNLSQUTL-GXSJLCMTSA-N 2 0 223.320 0.150 20 0 BCADRP Cc1nc[nH]c1CC(=O)NC(C)(C)C[NH3+] ZINC000637831094 351684320 /nfs/dbraw/zinc/68/43/20/351684320.db2.gz QCSCHBRSRBAIIX-UHFFFAOYSA-N 2 0 210.281 0.114 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C1(C[NH+](C)C)CC1 ZINC000637849597 351706552 /nfs/dbraw/zinc/70/65/52/351706552.db2.gz PJZXZJMFAIDULG-JTQLQIEISA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000637835285 351686465 /nfs/dbraw/zinc/68/64/65/351686465.db2.gz GFWRTJXSKUKRBH-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000637834432 351689228 /nfs/dbraw/zinc/68/92/28/351689228.db2.gz WPHFVOOVOVRQQX-VXGBXAGGSA-N 2 0 241.379 0.866 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N(C)[C@H](C)C[NH3+] ZINC000637839861 351690272 /nfs/dbraw/zinc/69/02/72/351690272.db2.gz BVZZRMLXAYPTLT-MRVPVSSYSA-N 2 0 225.292 0.466 20 0 BCADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH2+]C1 ZINC000637837298 351691007 /nfs/dbraw/zinc/69/10/07/351691007.db2.gz CYNMAIOTCHDECJ-MNOVXSKESA-N 2 0 225.336 0.291 20 0 BCADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH2+]C1 ZINC000637837368 351691503 /nfs/dbraw/zinc/69/15/03/351691503.db2.gz FJENVYPZESNHRZ-QWRGUYRKSA-N 2 0 225.336 0.149 20 0 BCADRP CN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CC[NH2+]C1 ZINC000637837888 351692022 /nfs/dbraw/zinc/69/20/22/351692022.db2.gz OCZCIMRIEHUHJJ-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000637840679 351696808 /nfs/dbraw/zinc/69/68/08/351696808.db2.gz HFZABZPQFYTNSO-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000637840966 351696817 /nfs/dbraw/zinc/69/68/17/351696817.db2.gz JKQVFBULARRMOW-KOLCDFICSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[NH2+]1 ZINC000637841298 351697747 /nfs/dbraw/zinc/69/77/47/351697747.db2.gz OEXSOYLCFFEVPL-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP CCc1c[nH]c(CC(=O)N2CC[NH2+][C@H](C)C2)n1 ZINC000637841849 351698434 /nfs/dbraw/zinc/69/84/34/351698434.db2.gz QUWFVVOPWKEPLA-SECBINFHSA-N 2 0 236.319 0.335 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[NH+](C)C ZINC000637844119 351699632 /nfs/dbraw/zinc/69/96/32/351699632.db2.gz DRPLCJWEYHXCEW-BBBLOLIVSA-N 2 0 213.325 0.132 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](C)[NH+](C)C ZINC000637845332 351699967 /nfs/dbraw/zinc/69/99/67/351699967.db2.gz WPKNOIZWRPEPOS-ZJUUUORDSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC000637845215 351701038 /nfs/dbraw/zinc/70/10/38/351701038.db2.gz VNOPTZIDDWFSSA-JTQLQIEISA-N 2 0 229.368 0.770 20 0 BCADRP C[C@H](C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000637845248 351701066 /nfs/dbraw/zinc/70/10/66/351701066.db2.gz AJEDMYYOKZYEPU-HBNTYKKESA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000637847647 351703060 /nfs/dbraw/zinc/70/30/60/351703060.db2.gz KKJYUERVMJNNHF-DLOVCJGASA-N 2 0 237.347 0.620 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]([NH3+])CCC(C)C)C1 ZINC000637821448 351665817 /nfs/dbraw/zinc/66/58/17/351665817.db2.gz BLQJIQLKKTWDIL-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000637823657 351668824 /nfs/dbraw/zinc/66/88/24/351668824.db2.gz SLNIMTNGATYGLH-MNOVXSKESA-N 2 0 225.336 0.135 20 0 BCADRP C[NH2+]CCNC(=O)[C@H]([NH3+])CCC(C)C ZINC000637823682 351668844 /nfs/dbraw/zinc/66/88/44/351668844.db2.gz IFCGLYRUCVUKNY-SECBINFHSA-N 2 0 201.314 0.086 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000637827449 351669733 /nfs/dbraw/zinc/66/97/33/351669733.db2.gz HKAJTZQPQXPBEV-NSHDSACASA-N 2 0 225.336 0.339 20 0 BCADRP C[NH+](C)CC1(C(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000637823914 351669883 /nfs/dbraw/zinc/66/98/83/351669883.db2.gz VIYULGSDWQKYAJ-SNVBAGLBSA-N 2 0 225.336 0.135 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CCC1C[NH2+]C1 ZINC000637853914 351716271 /nfs/dbraw/zinc/71/62/71/351716271.db2.gz SXAJZPDUGQMTKL-RYUDHWBXSA-N 2 0 239.363 0.620 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637859589 351717848 /nfs/dbraw/zinc/71/78/48/351717848.db2.gz ZXTPFHGISNPUJH-SNVBAGLBSA-N 2 0 225.336 0.668 20 0 BCADRP C[C@H](C(=O)N(C)CC(C)(C)C[NH3+])[NH+](C)C ZINC000637862258 351722818 /nfs/dbraw/zinc/72/28/18/351722818.db2.gz NFBDOFHQCJOABT-SECBINFHSA-N 2 0 215.341 0.380 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000637865931 351725917 /nfs/dbraw/zinc/72/59/17/351725917.db2.gz GMNGBNPVACGYNH-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]1C[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000626986085 363084754 /nfs/dbraw/zinc/08/47/54/363084754.db2.gz ADMLFSCBNCVFTH-HBNTYKKESA-N 2 0 240.351 0.130 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NCC2CC[NH2+]CC2)cc1 ZINC000577749742 366053616 /nfs/dbraw/zinc/05/36/16/366053616.db2.gz QYHAUUIMHMZBHW-UHFFFAOYSA-N 2 0 247.342 0.875 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000637853207 351708747 /nfs/dbraw/zinc/70/87/47/351708747.db2.gz SFHUSWNEVPSPOX-SRVKXCTJSA-N 2 0 237.347 0.668 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)NC[C@H]([NH3+])C(C)C ZINC000637851189 351709788 /nfs/dbraw/zinc/70/97/88/351709788.db2.gz ZERKZPSOFVQEQY-JTQLQIEISA-N 2 0 239.319 0.760 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)C1(C[NH+](C)C)CC1 ZINC000637851883 351710532 /nfs/dbraw/zinc/71/05/32/351710532.db2.gz KTVYHQMTNLEBGI-LBPRGKRZSA-N 2 0 241.379 0.818 20 0 BCADRP CN(CCC[NH3+])C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000637854241 351713071 /nfs/dbraw/zinc/71/30/71/351713071.db2.gz FSFWLBVFYNPGKM-JTQLQIEISA-N 2 0 213.325 0.135 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC(C[NH3+])CC1 ZINC000577848198 366081701 /nfs/dbraw/zinc/08/17/01/366081701.db2.gz DQVAWLHREASXCV-VIFPVBQESA-N 2 0 225.336 0.324 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000340081197 351882788 /nfs/dbraw/zinc/88/27/88/351882788.db2.gz BUXUIHIOXRHCOZ-TUAOUCFPSA-N 2 0 241.379 0.995 20 0 BCADRP C[NH+](C)CCCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638047859 351925433 /nfs/dbraw/zinc/92/54/33/351925433.db2.gz NGQUPEUWQIDONY-SNVBAGLBSA-N 2 0 211.309 0.102 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCCC[NH+](CC)CC ZINC000638046866 351925634 /nfs/dbraw/zinc/92/56/34/351925634.db2.gz BWGDTFCBUHISQV-NSHDSACASA-N 2 0 229.368 0.833 20 0 BCADRP C[C@@H](CNC(=O)C1=CC[C@H]([NH3+])C1)Cn1ccnc1 ZINC000638075725 351947721 /nfs/dbraw/zinc/94/77/21/351947721.db2.gz HCXUINIJOKTLJL-JQWIXIFHSA-N 2 0 248.330 0.683 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638049842 351927626 /nfs/dbraw/zinc/92/76/26/351927626.db2.gz OZHWCLXCMMLBGU-NWDGAFQWSA-N 2 0 237.347 0.634 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC1CC[NH+](CC)CC1 ZINC000638052076 351929323 /nfs/dbraw/zinc/92/93/23/351929323.db2.gz WHRWQOPWVBIBNT-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)NCC[NH+]2CCCCC2)C1 ZINC000638055965 351931843 /nfs/dbraw/zinc/93/18/43/351931843.db2.gz VHIQUGIZDDQNTQ-GFCCVEGCSA-N 2 0 237.347 0.636 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000638057419 351933289 /nfs/dbraw/zinc/93/32/89/351933289.db2.gz VQJOYLJUIQKQMA-SNVBAGLBSA-N 2 0 239.363 0.727 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC[NH+]1CCCC1 ZINC000638059779 351933752 /nfs/dbraw/zinc/93/37/52/351933752.db2.gz WPUPUOUQWDPTME-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000638066570 351938945 /nfs/dbraw/zinc/93/89/45/351938945.db2.gz KHJYDCGLFGMUMA-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000353459227 187547596 /nfs/dbraw/zinc/54/75/96/187547596.db2.gz LLSRTEQVKNXECR-MXWKQRLJSA-N 2 0 227.352 0.332 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000638073907 351946347 /nfs/dbraw/zinc/94/63/47/351946347.db2.gz HIKWMIGDLJYUSF-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638147598 352008932 /nfs/dbraw/zinc/00/89/32/352008932.db2.gz WOWZXNVODQWFOR-UTUOFQBUSA-N 2 0 239.363 0.666 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@H]1CC ZINC000638147363 352008999 /nfs/dbraw/zinc/00/89/99/352008999.db2.gz RTNRFHDJMGUNTH-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)C1CC1 ZINC000638077891 351950582 /nfs/dbraw/zinc/95/05/82/351950582.db2.gz XUJVIQFHQSWBHI-NEPJUHHUSA-N 2 0 237.347 0.490 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)CCC1C[NH2+]C1 ZINC000638077678 351950856 /nfs/dbraw/zinc/95/08/56/351950856.db2.gz VIJRTNIJBBMKCD-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000638077552 351950964 /nfs/dbraw/zinc/95/09/64/351950964.db2.gz UMWVLBSGPGREQN-QWRGUYRKSA-N 2 0 229.368 0.831 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C1=CC[C@H]([NH3+])C1)C1CC1 ZINC000638077893 351951289 /nfs/dbraw/zinc/95/12/89/351951289.db2.gz XUJVIQFHQSWBHI-RYUDHWBXSA-N 2 0 237.347 0.490 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000638148781 352010469 /nfs/dbraw/zinc/01/04/69/352010469.db2.gz OSJFNLZLGAHCKZ-IVZWLZJFSA-N 2 0 213.325 0.180 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000638079531 351952778 /nfs/dbraw/zinc/95/27/78/351952778.db2.gz UGWSOYZLCUWUPE-RYUDHWBXSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000638082288 351956893 /nfs/dbraw/zinc/95/68/93/351956893.db2.gz GULOYBINILUYDY-GFCCVEGCSA-N 2 0 241.379 0.960 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638085534 351961952 /nfs/dbraw/zinc/96/19/52/351961952.db2.gz MGZDSVHGXYTPPQ-JQWIXIFHSA-N 2 0 237.347 0.492 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638085535 351962029 /nfs/dbraw/zinc/96/20/29/351962029.db2.gz MGZDSVHGXYTPPQ-PWSUYJOCSA-N 2 0 237.347 0.492 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC1CC[NH+](C)CC1 ZINC000638087103 351964765 /nfs/dbraw/zinc/96/47/65/351964765.db2.gz ZRXTYXVDKYUDPT-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000638094340 351974638 /nfs/dbraw/zinc/97/46/38/351974638.db2.gz HKBJALLZVGABOM-QWHCGFSZSA-N 2 0 249.358 0.731 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000638151783 352012108 /nfs/dbraw/zinc/01/21/08/352012108.db2.gz AMHBHNAWZONLPZ-KOLCDFICSA-N 2 0 225.336 0.182 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000638096613 351976868 /nfs/dbraw/zinc/97/68/68/351976868.db2.gz KNWUKDUCDNVEEA-WDEREUQCSA-N 2 0 229.368 0.831 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC[N@H+](CC)C1CC1 ZINC000638096960 351976881 /nfs/dbraw/zinc/97/68/81/351976881.db2.gz ONMBQBOCBRPXGD-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000638096610 351977113 /nfs/dbraw/zinc/97/71/13/351977113.db2.gz KNWUKDUCDNVEEA-GHMZBOCLSA-N 2 0 229.368 0.831 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000638098316 351977630 /nfs/dbraw/zinc/97/76/30/351977630.db2.gz BLWDHLXHMICNKB-JQWIXIFHSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000638099650 351979624 /nfs/dbraw/zinc/97/96/24/351979624.db2.gz IHNCOKFFUPMEKK-STQMWFEESA-N 2 0 249.358 0.634 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000638099647 351980069 /nfs/dbraw/zinc/98/00/69/351980069.db2.gz IHNCOKFFUPMEKK-OLZOCXBDSA-N 2 0 249.358 0.634 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000638100578 351980488 /nfs/dbraw/zinc/98/04/88/351980488.db2.gz KFRATBXVYWMEBL-VHSXEESVSA-N 2 0 227.352 0.583 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCc1nccn1C ZINC000638102606 351981409 /nfs/dbraw/zinc/98/14/09/351981409.db2.gz JTMQPYZZJHYAGL-MRVPVSSYSA-N 2 0 210.281 0.034 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000638121800 351995437 /nfs/dbraw/zinc/99/54/37/351995437.db2.gz HJVZTXXRUORSFD-QJPTWQEYSA-N 2 0 241.379 0.926 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)[NH3+])[C@H](C)C1 ZINC000638123418 351996024 /nfs/dbraw/zinc/99/60/24/351996024.db2.gz OFXGRIOYBZKCSS-GRYCIOLGSA-N 2 0 241.379 0.912 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000638126913 351998101 /nfs/dbraw/zinc/99/81/01/351998101.db2.gz RNLCDWRRNNYSAO-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000638130641 352000781 /nfs/dbraw/zinc/00/07/81/352000781.db2.gz LZAGNIBJLSFUQT-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[NH+](C)C ZINC000638200541 352061094 /nfs/dbraw/zinc/06/10/94/352061094.db2.gz RDTJTLJIZMDPGV-UTLUCORTSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638201028 352061265 /nfs/dbraw/zinc/06/12/65/352061265.db2.gz AASJVASLUQEWRC-GRYCIOLGSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638201033 352061863 /nfs/dbraw/zinc/06/18/63/352061863.db2.gz ACTGEQGJINVTAA-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638201386 352065610 /nfs/dbraw/zinc/06/56/10/352065610.db2.gz VQVNYHHWNZKBDX-OPRDCNLKSA-N 2 0 213.325 0.371 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000638213840 352075890 /nfs/dbraw/zinc/07/58/90/352075890.db2.gz JYUQYOJLZLGIFU-SDDRHHMPSA-N 2 0 237.347 0.006 20 0 BCADRP C[NH+](C)CC1(C(=O)NC2(C)CC[NH2+]CC2)CC1 ZINC000638205552 352067236 /nfs/dbraw/zinc/06/72/36/352067236.db2.gz GVVACTYDQOWJCJ-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000638205175 352067557 /nfs/dbraw/zinc/06/75/57/352067557.db2.gz GRZJCIRJBKMZQL-OPRDCNLKSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000638209926 352072715 /nfs/dbraw/zinc/07/27/15/352072715.db2.gz FYDZLEVQWPEQFU-UTUOFQBUSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C1(C[NH+](C)C)CC1 ZINC000638152730 352016790 /nfs/dbraw/zinc/01/67/90/352016790.db2.gz BMZFJBYTGGFEDM-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638155421 352018553 /nfs/dbraw/zinc/01/85/53/352018553.db2.gz JTOQEBFDVZPJKE-GDPRMGEGSA-N 2 0 223.320 0.230 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000638156140 352019010 /nfs/dbraw/zinc/01/90/10/352019010.db2.gz HCEKUXPUVDGPFG-IVZWLZJFSA-N 2 0 213.325 0.132 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000638156101 352019133 /nfs/dbraw/zinc/01/91/33/352019133.db2.gz GTFPNXGHQSDASN-OPRDCNLKSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@H]([NH3+])CC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000638157049 352020569 /nfs/dbraw/zinc/02/05/69/352020569.db2.gz VVXSYGIYTFFSME-WCBMZHEXSA-N 2 0 248.330 0.573 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638159556 352023813 /nfs/dbraw/zinc/02/38/13/352023813.db2.gz CBLQTUHEOIYGTE-NWDGAFQWSA-N 2 0 237.347 0.634 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)[NH2+]CC ZINC000638159955 352023905 /nfs/dbraw/zinc/02/39/05/352023905.db2.gz UCNFWQJSWVTUBN-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C)C[NH2+]1 ZINC000638160467 352024794 /nfs/dbraw/zinc/02/47/94/352024794.db2.gz XXTFDDMBLAWKPK-GHMZBOCLSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638157971 352025299 /nfs/dbraw/zinc/02/52/99/352025299.db2.gz YCIGMHGQAUXNJY-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H](C(=O)NC[C@@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000638161895 352026569 /nfs/dbraw/zinc/02/65/69/352026569.db2.gz AYWLXWOONCQXKI-PWSUYJOCSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)C[NH2+]1 ZINC000638160883 352028147 /nfs/dbraw/zinc/02/81/47/352028147.db2.gz ZVEHCJJRTQOPDS-UTUOFQBUSA-N 2 0 239.363 0.537 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000638166273 352030400 /nfs/dbraw/zinc/03/04/00/352030400.db2.gz WEMCDGWVGMDVOF-PWSUYJOCSA-N 2 0 227.352 0.490 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638211852 352074196 /nfs/dbraw/zinc/07/41/96/352074196.db2.gz DEXDRKAVEVFLQG-SCZZXKLOSA-N 2 0 211.309 0.148 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000638173012 352040191 /nfs/dbraw/zinc/04/01/91/352040191.db2.gz ZAFOGMWEFPVFFC-CMPLNLGQSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(Cc2ncnn2C)C1 ZINC000083970074 352118827 /nfs/dbraw/zinc/11/88/27/352118827.db2.gz RCXLZYDNUFDCBQ-VHSXEESVSA-N 2 0 223.324 0.374 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH3+] ZINC000638211306 352077082 /nfs/dbraw/zinc/07/70/82/352077082.db2.gz PRSXNGKMNKLIBK-BDAKNGLRSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)[NH+](C)C ZINC000638218067 352077667 /nfs/dbraw/zinc/07/76/67/352077667.db2.gz CADZCDDLVOFHQS-KOLCDFICSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638220054 352079384 /nfs/dbraw/zinc/07/93/84/352079384.db2.gz MNAIUTKBIYLOHB-JQWIXIFHSA-N 2 0 223.320 0.231 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638220056 352079510 /nfs/dbraw/zinc/07/95/10/352079510.db2.gz MNAIUTKBIYLOHB-ZYHUDNBSSA-N 2 0 223.320 0.231 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000638232750 352086797 /nfs/dbraw/zinc/08/67/97/352086797.db2.gz CXRQFTVQYKUXAP-GXTWGEPZSA-N 2 0 249.358 0.636 20 0 BCADRP C[C@H]([NH3+])CC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000638241768 352091959 /nfs/dbraw/zinc/09/19/59/352091959.db2.gz FWVNWGFLJQUSMR-VIFPVBQESA-N 2 0 249.314 0.844 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000154262422 535171006 /nfs/dbraw/zinc/17/10/06/535171006.db2.gz DVKVGWJCPLPWNX-GFCCVEGCSA-N 2 0 227.352 0.492 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[NH+](C)C ZINC000638247498 352093853 /nfs/dbraw/zinc/09/38/53/352093853.db2.gz NSXQKHKBHVHXIX-MXWKQRLJSA-N 2 0 225.336 0.147 20 0 BCADRP C[C@H](C(=O)NC(C)(C)CCC[NH3+])[NH+](C)C ZINC000638247874 352093929 /nfs/dbraw/zinc/09/39/29/352093929.db2.gz UEILQWFRPNWZKH-SECBINFHSA-N 2 0 215.341 0.570 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000638249058 352095140 /nfs/dbraw/zinc/09/51/40/352095140.db2.gz XUBCUPBNVZFCLE-LBPRGKRZSA-N 2 0 249.358 0.636 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638252728 352095907 /nfs/dbraw/zinc/09/59/07/352095907.db2.gz VLFSEKXKSLAQDV-WPRPVWTQSA-N 2 0 211.309 0.278 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000638253981 352097077 /nfs/dbraw/zinc/09/70/77/352097077.db2.gz DWJBLSCTOLRTJL-JGVFFNPUSA-N 2 0 225.292 0.512 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000638253771 352097104 /nfs/dbraw/zinc/09/71/04/352097104.db2.gz DISXCDKGDHAZBD-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]CC[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)C(F)F ZINC000638254858 352097965 /nfs/dbraw/zinc/09/79/65/352097965.db2.gz HOHVULXFTLGWJV-YUMQZZPRSA-N 2 0 233.262 0.133 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638257096 352100676 /nfs/dbraw/zinc/10/06/76/352100676.db2.gz SROOQGARGCTVQH-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000638257783 352101530 /nfs/dbraw/zinc/10/15/30/352101530.db2.gz WOBLDEQXLVIULM-CHWFTXMASA-N 2 0 227.352 0.569 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CC[NH3+])C(F)F)C1 ZINC000638259757 352102908 /nfs/dbraw/zinc/10/29/08/352102908.db2.gz SOEHFDSMMZNANM-IUCAKERBSA-N 2 0 249.305 0.427 20 0 BCADRP CC[C@@H](C(=O)N[C@@H]1CC[NH2+]CC1(C)C)[NH+](C)C ZINC000638261118 352103607 /nfs/dbraw/zinc/10/36/07/352103607.db2.gz CIWMYRJUEBVZQU-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH3+])C1 ZINC000638256230 352103631 /nfs/dbraw/zinc/10/36/31/352103631.db2.gz RPMFPPFCZXPDTA-KPPDAEKUSA-N 2 0 225.336 0.276 20 0 BCADRP O=C(CCC1C[NH2+]C1)NCCC[C@@H]1CCC[NH2+]1 ZINC000638264107 352104780 /nfs/dbraw/zinc/10/47/80/352104780.db2.gz BNHNCMBPQBHCDS-LBPRGKRZSA-N 2 0 239.363 0.634 20 0 BCADRP [NH3+]CCC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000083960731 352105700 /nfs/dbraw/zinc/10/57/00/352105700.db2.gz DUFSCAHPHHSSRS-UHFFFAOYSA-N 2 0 239.363 0.812 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000638263323 352105718 /nfs/dbraw/zinc/10/57/18/352105718.db2.gz WUHBTCCHLIYSGN-RYUDHWBXSA-N 2 0 237.347 0.682 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000083960728 352105842 /nfs/dbraw/zinc/10/58/42/352105842.db2.gz JPOAFKIOIQYIOS-NSHDSACASA-N 2 0 239.363 0.811 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000638266195 352106243 /nfs/dbraw/zinc/10/62/43/352106243.db2.gz BVALWNNIQUWMER-MNOVXSKESA-N 2 0 239.363 0.572 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638267853 352106531 /nfs/dbraw/zinc/10/65/31/352106531.db2.gz VUCSIAOWWZAMQE-LLVKDONJSA-N 2 0 239.363 0.490 20 0 BCADRP CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000083961269 352106630 /nfs/dbraw/zinc/10/66/30/352106630.db2.gz YYZLSLVGBNJZLP-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000638270024 352107470 /nfs/dbraw/zinc/10/74/70/352107470.db2.gz DKKFCJSVKQCYJA-SNVBAGLBSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638334225 352152233 /nfs/dbraw/zinc/15/22/33/352152233.db2.gz YFZVKQSWZWBMGU-VHSXEESVSA-N 2 0 225.336 0.524 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638334226 352152277 /nfs/dbraw/zinc/15/22/77/352152277.db2.gz YFZVKQSWZWBMGU-ZJUUUORDSA-N 2 0 225.336 0.524 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638334223 352152517 /nfs/dbraw/zinc/15/25/17/352152517.db2.gz YFZVKQSWZWBMGU-NXEZZACHSA-N 2 0 225.336 0.524 20 0 BCADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H](C[NH3+])C1CC1 ZINC000638332048 352153749 /nfs/dbraw/zinc/15/37/49/352153749.db2.gz LZXSHYCPVLRKQA-ZYHUDNBSSA-N 2 0 239.363 0.524 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCCC1(C[NH3+])CC1 ZINC000638388128 352197124 /nfs/dbraw/zinc/19/71/24/352197124.db2.gz QSNYQMDMKXSUDS-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]1CCN(C(=O)CCC2C[NH2+]C2)C[C@H]1C[NH3+] ZINC000638346234 352165146 /nfs/dbraw/zinc/16/51/46/352165146.db2.gz ZYAMBQLPLUZFGL-ZYHUDNBSSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000638356023 352168529 /nfs/dbraw/zinc/16/85/29/352168529.db2.gz FPNZXBRNDVETDY-VPOLOUISSA-N 2 0 227.352 0.556 20 0 BCADRP C[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@H]1C)[NH+](C)C ZINC000638358172 352170167 /nfs/dbraw/zinc/17/01/67/352170167.db2.gz UAMVKOCFLNOKHX-DDHJBXDOSA-N 2 0 241.379 0.768 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](C)[NH+](C)C ZINC000638368675 352178139 /nfs/dbraw/zinc/17/81/39/352178139.db2.gz LTYQJGBBLMGFJW-DJLDLDEBSA-N 2 0 201.314 0.179 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000638390316 352198609 /nfs/dbraw/zinc/19/86/09/352198609.db2.gz KLLKHSQVOZFDHO-QJPTWQEYSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)CCC1C[NH2+]C1 ZINC000638369869 352180320 /nfs/dbraw/zinc/18/03/20/352180320.db2.gz VMAWXEQOYVXJES-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000638370732 352181015 /nfs/dbraw/zinc/18/10/15/352181015.db2.gz NCAWEVNXYPOQII-XHNCKOQMSA-N 2 0 201.314 0.226 20 0 BCADRP CC[C@H](C(=O)N[C@@H](C)C[C@@H](C)[NH3+])[NH+](C)C ZINC000638369335 352182496 /nfs/dbraw/zinc/18/24/96/352182496.db2.gz GEDAZVMVLUEZME-KXUCPTDWSA-N 2 0 215.341 0.569 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000638375928 352185855 /nfs/dbraw/zinc/18/58/55/352185855.db2.gz JUMKUDKCKZUWRX-WDEREUQCSA-N 2 0 239.363 0.775 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000638377437 352188452 /nfs/dbraw/zinc/18/84/52/352188452.db2.gz UJEMOSJBAAXCJM-NWDGAFQWSA-N 2 0 249.358 0.825 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)CCC1C[NH2+]C1 ZINC000638378380 352189400 /nfs/dbraw/zinc/18/94/00/352189400.db2.gz WHDFVSRXCIYHHZ-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)[NH+](C)C ZINC000638383626 352193023 /nfs/dbraw/zinc/19/30/23/352193023.db2.gz KSMPIHVZVGGGSH-MDZLAQPJSA-N 2 0 239.363 0.524 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C1=CC[C@H]([NH3+])C1)C2 ZINC000638384356 352195246 /nfs/dbraw/zinc/19/52/46/352195246.db2.gz OIGDSOLCGYYLHJ-OBJOEFQTSA-N 2 0 249.358 0.621 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000638312237 352137996 /nfs/dbraw/zinc/13/79/96/352137996.db2.gz FCRDSNJQNUMJJV-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C3=CC[C@H]([NH3+])C3)[C@H]2C1 ZINC000638313326 352139951 /nfs/dbraw/zinc/13/99/51/352139951.db2.gz UAEZXTVRPIBFLO-WXHSDQCUSA-N 2 0 249.358 0.587 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638427221 352235402 /nfs/dbraw/zinc/23/54/02/352235402.db2.gz VFAOPWCUUMJHBZ-NWDGAFQWSA-N 2 0 237.347 0.634 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]([NH3+])CCC(C)C ZINC000638433086 352242298 /nfs/dbraw/zinc/24/22/98/352242298.db2.gz VZPXFQYZMODCPQ-UWVGGRQHSA-N 2 0 215.341 0.474 20 0 BCADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+]C)[NH+](C)C ZINC000638429784 352237866 /nfs/dbraw/zinc/23/78/66/352237866.db2.gz AEGZERPQHNKAOH-DTWKUNHWSA-N 2 0 201.314 0.051 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C)CC[NH+]1CCCCC1 ZINC000638397914 352201754 /nfs/dbraw/zinc/20/17/54/352201754.db2.gz RKJSMRZSWGEOLH-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000638395604 352202491 /nfs/dbraw/zinc/20/24/91/352202491.db2.gz CQYLNZBHVTUJEE-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638396539 352203141 /nfs/dbraw/zinc/20/31/41/352203141.db2.gz KXHOIUDLNSKDJJ-TUAOUCFPSA-N 2 0 239.363 0.809 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]([NH3+])C[C@H]1C)[NH+](C)C ZINC000638399065 352205822 /nfs/dbraw/zinc/20/58/22/352205822.db2.gz YBQQFRCKEWORJP-OUAUKWLOSA-N 2 0 227.352 0.665 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)CCC1C[NH2+]C1 ZINC000638403088 352209057 /nfs/dbraw/zinc/20/90/57/352209057.db2.gz HPIKJMGWFNWONL-UHFFFAOYSA-N 2 0 213.325 0.182 20 0 BCADRP CCC[N@H+](C)CC(C)(C)NC(=O)C[C@H](C)[NH3+] ZINC000638437924 352244992 /nfs/dbraw/zinc/24/49/92/352244992.db2.gz GPIANRCFAYQLMD-JTQLQIEISA-N 2 0 229.368 0.960 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627035814 363140918 /nfs/dbraw/zinc/14/09/18/363140918.db2.gz LLKNDBITDJZMFF-GARJFASQSA-N 2 0 242.367 0.376 20 0 BCADRP O=C(C[NH2+]CC1CC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638497811 352317674 /nfs/dbraw/zinc/31/76/74/352317674.db2.gz HVSPONADMCSPKV-NSHDSACASA-N 2 0 237.347 0.387 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCCC[NH2+]1 ZINC000638498140 352318371 /nfs/dbraw/zinc/31/83/71/352318371.db2.gz JXRZOPZMHBRWPL-GHMZBOCLSA-N 2 0 237.347 0.529 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)NC2CC[NH2+]CC2)C[NH2+]1 ZINC000627062106 363177280 /nfs/dbraw/zinc/17/72/80/363177280.db2.gz XWGKCXBRSCYEGY-KOLCDFICSA-N 2 0 240.351 0.178 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627064004 363179513 /nfs/dbraw/zinc/17/95/13/363179513.db2.gz NUCRTYOVOVJOEV-GHMZBOCLSA-N 2 0 242.367 0.426 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638484236 352294472 /nfs/dbraw/zinc/29/44/72/352294472.db2.gz POMRHPKWEWHLAV-UWVGGRQHSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C[NH2+]CC1CC1 ZINC000638484862 352294639 /nfs/dbraw/zinc/29/46/39/352294639.db2.gz VCWZWXNTRALFLZ-GFCCVEGCSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C[C@@H](C)[NH3+] ZINC000638485145 352294727 /nfs/dbraw/zinc/29/47/27/352294727.db2.gz XJMTXQXFHJEFRT-ZJUUUORDSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C[N@H+](C)C(C)C ZINC000638490261 352299082 /nfs/dbraw/zinc/29/90/82/352299082.db2.gz TYVTZBBAHNKAPQ-GFCCVEGCSA-N 2 0 241.379 0.783 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000638489781 352301419 /nfs/dbraw/zinc/30/14/19/352301419.db2.gz QDYZNSVYCNWYMO-VWYCJHECSA-N 2 0 227.352 0.426 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000638491535 352301917 /nfs/dbraw/zinc/30/19/17/352301917.db2.gz JJAPYWWDKYQMJB-DCAQKATOSA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)CC1(C[NH3+])CC1 ZINC000638491393 352301949 /nfs/dbraw/zinc/30/19/49/352301949.db2.gz FFIUHNQKYYFUDC-LLVKDONJSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)CC1([NH3+])CC1 ZINC000638491495 352302005 /nfs/dbraw/zinc/30/20/05/352302005.db2.gz GHXHDNCLKCYAIB-JTQLQIEISA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638493526 352307174 /nfs/dbraw/zinc/30/71/74/352307174.db2.gz WYUBXNUPCHRSSS-MNOVXSKESA-N 2 0 227.352 0.441 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638508053 352329822 /nfs/dbraw/zinc/32/98/22/352329822.db2.gz MKDFSQICXZFTGB-SNVBAGLBSA-N 2 0 225.336 0.385 20 0 BCADRP CCN(CC[NH3+])C(=O)c1ccc(C[NH3+])o1 ZINC000638522540 352355240 /nfs/dbraw/zinc/35/52/40/352355240.db2.gz LGBUXTZLVFYVQE-UHFFFAOYSA-N 2 0 211.265 0.159 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000638510715 352334649 /nfs/dbraw/zinc/33/46/49/352334649.db2.gz FANPTNDVOVVSPC-MNOVXSKESA-N 2 0 235.331 0.435 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000638510720 352334828 /nfs/dbraw/zinc/33/48/28/352334828.db2.gz FANPTNDVOVVSPC-WDEREUQCSA-N 2 0 235.331 0.435 20 0 BCADRP CC[C@@H](C(=O)N[C@H]1CC[NH2+]C12CCC2)[NH+](C)C ZINC000638511904 352336352 /nfs/dbraw/zinc/33/63/52/352336352.db2.gz HRBWKGYWLFKWKU-QWRGUYRKSA-N 2 0 239.363 0.727 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000638522341 352355901 /nfs/dbraw/zinc/35/59/01/352355901.db2.gz GBHXQJNSNWWNAU-MRVPVSSYSA-N 2 0 201.314 0.167 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000638515605 352344981 /nfs/dbraw/zinc/34/49/81/352344981.db2.gz AHFUWNLESHFIPV-ZDUSSCGKSA-N 2 0 247.342 0.681 20 0 BCADRP CCN(CC[NH3+])C(=O)C[NH+](CC)CC ZINC000638517216 352345372 /nfs/dbraw/zinc/34/53/72/352345372.db2.gz OTCNNVGGTVAOJT-UHFFFAOYSA-N 2 0 201.314 0.135 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000638516684 352345523 /nfs/dbraw/zinc/34/55/23/352345523.db2.gz WDHKTCGJFFVGMJ-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000638516932 352346566 /nfs/dbraw/zinc/34/65/66/352346566.db2.gz JWJSFTDCINISAS-SNVBAGLBSA-N 2 0 229.368 0.818 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(CC)CC[NH3+] ZINC000638517356 352347978 /nfs/dbraw/zinc/34/79/78/352347978.db2.gz SEJSNAXKTGYSBU-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP CCN(CC[NH3+])C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000638517798 352348963 /nfs/dbraw/zinc/34/89/63/352348963.db2.gz CQTTWQWMLDIPHN-GHMZBOCLSA-N 2 0 227.352 0.666 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(CC)CC[NH3+] ZINC000638517712 352348984 /nfs/dbraw/zinc/34/89/84/352348984.db2.gz ZQDYOJLISUFUFK-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]([NH3+])c1ccccc1C ZINC000638517721 352349060 /nfs/dbraw/zinc/34/90/60/352349060.db2.gz ZUQNGSMUILFADE-LBPRGKRZSA-N 2 0 235.331 0.802 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C)[C@H](C)[NH3+] ZINC000638528506 352362022 /nfs/dbraw/zinc/36/20/22/352362022.db2.gz KCBGKNDBRBCNHM-QJPTWQEYSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638546105 352376610 /nfs/dbraw/zinc/37/66/10/352376610.db2.gz AUZOBNVXHUGXAI-SECBINFHSA-N 2 0 233.315 0.772 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000638572457 352401263 /nfs/dbraw/zinc/40/12/63/352401263.db2.gz LTLZGUVKSSWFIC-LOWVWBTDSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000638572369 352400384 /nfs/dbraw/zinc/40/03/84/352400384.db2.gz JVOYDBOXPHIVGQ-DOLQZWNJSA-N 2 0 213.325 0.226 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000638572360 352400624 /nfs/dbraw/zinc/40/06/24/352400624.db2.gz JSZGBWBIQHCPOQ-GRYCIOLGSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H](C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[NH+](C)C ZINC000452978148 352395602 /nfs/dbraw/zinc/39/56/02/352395602.db2.gz RTHMPBGPRQPRRN-SDDRHHMPSA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CC[NH2+][C@H]1CC ZINC000638571872 352398290 /nfs/dbraw/zinc/39/82/90/352398290.db2.gz AVDNKQBHICPSLX-NOOOWODRSA-N 2 0 239.363 0.631 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000638572663 352401144 /nfs/dbraw/zinc/40/11/44/352401144.db2.gz SSJOCPXEYNTEBH-UMNHJUIQSA-N 2 0 225.336 0.385 20 0 BCADRP C[NH2+]CCOCCN(C)C(=O)CC[NH2+]C(C)C ZINC000638586089 352415856 /nfs/dbraw/zinc/41/58/56/352415856.db2.gz HKHPMQJAZYFZED-UHFFFAOYSA-N 2 0 245.367 0.069 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000638574061 352403999 /nfs/dbraw/zinc/40/39/99/352403999.db2.gz NVDUMIZMCZQWPS-YFKTTZPYSA-N 2 0 241.379 0.863 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638574509 352404599 /nfs/dbraw/zinc/40/45/99/352404599.db2.gz UZTNFZFTDSREJO-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])C[NH2+]1 ZINC000638652002 352492505 /nfs/dbraw/zinc/49/25/05/352492505.db2.gz PXSSARKKADJQJV-NOOOWODRSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C[NH2+]1 ZINC000638638247 352479755 /nfs/dbraw/zinc/47/97/55/352479755.db2.gz BSRFFITUOMFJRH-TUAOUCFPSA-N 2 0 239.363 0.727 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)[NH+](C)C ZINC000638639841 352481811 /nfs/dbraw/zinc/48/18/11/352481811.db2.gz NTSQFXLXRLEJMS-HBNTYKKESA-N 2 0 227.352 0.583 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)CC2(C[NH3+])CC2)C[NH2+]1 ZINC000638641157 352483359 /nfs/dbraw/zinc/48/33/59/352483359.db2.gz BUPIHXWFBRHIDX-VHSXEESVSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CCC[NH2+]1 ZINC000638640430 352484175 /nfs/dbraw/zinc/48/41/75/352484175.db2.gz BHWDEWXQJVYTMO-GMXVVIOVSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC000638642432 352484190 /nfs/dbraw/zinc/48/41/90/352484190.db2.gz JFSHLYDDPOXVAY-WZRBSPASSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C[NH2+]1 ZINC000638642258 352485329 /nfs/dbraw/zinc/48/53/29/352485329.db2.gz WCJWAFDVXHQKOK-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C[NH2+]1 ZINC000638642257 352485391 /nfs/dbraw/zinc/48/53/91/352485391.db2.gz WCJWAFDVXHQKOK-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)C[NH2+]1 ZINC000638646305 352488949 /nfs/dbraw/zinc/48/89/49/352488949.db2.gz YUIJUGXYOOZXRZ-BLFANLJRSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[NH2+]1 ZINC000638646344 352489126 /nfs/dbraw/zinc/48/91/26/352489126.db2.gz ZFGOSMLOSUJRNN-NOOOWODRSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@H]2CCCC[NH2+]2)C[NH2+]1 ZINC000638653769 352495270 /nfs/dbraw/zinc/49/52/70/352495270.db2.gz HBRNITLEMYCTBK-OUAUKWLOSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)CC2([NH3+])CCC2)C[NH2+]1 ZINC000638653784 352495430 /nfs/dbraw/zinc/49/54/30/352495430.db2.gz HGDLPNVULOCGAY-UWVGGRQHSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@@]2(C)CC[NH2+]C2)C[NH2+]1 ZINC000638654178 352497031 /nfs/dbraw/zinc/49/70/31/352497031.db2.gz JYQIDHBJDPXFCS-FOGDFJRCSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638656706 352497251 /nfs/dbraw/zinc/49/72/51/352497251.db2.gz USSHQNQLDXMBOQ-VHSXEESVSA-N 2 0 213.325 0.243 20 0 BCADRP [NH3+]CCCOCCNC(=O)C1([NH3+])CCCCC1 ZINC000638657490 352497864 /nfs/dbraw/zinc/49/78/64/352497864.db2.gz QHFHQKFALJEBFN-UHFFFAOYSA-N 2 0 243.351 0.130 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N(C)CCOCC[NH3+] ZINC000638669408 352511581 /nfs/dbraw/zinc/51/15/81/352511581.db2.gz BQXQPINVZXVNRJ-NSHDSACASA-N 2 0 245.367 0.184 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N(C)CCOCC[NH3+] ZINC000638669407 352511747 /nfs/dbraw/zinc/51/17/47/352511747.db2.gz BQXQPINVZXVNRJ-LLVKDONJSA-N 2 0 245.367 0.184 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](C)[NH3+] ZINC000638690902 352527470 /nfs/dbraw/zinc/52/74/70/352527470.db2.gz UIOSNYOBGACJJF-BDAKNGLRSA-N 2 0 216.329 0.150 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000638727430 352586350 /nfs/dbraw/zinc/58/63/50/352586350.db2.gz HQTYLFSCPKIHEV-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)[NH+](CCNC(=O)C(C)(C)[NH3+])C(C)C ZINC000040920041 352600290 /nfs/dbraw/zinc/60/02/90/352600290.db2.gz KMUOJUNNKLLTRR-UHFFFAOYSA-N 2 0 229.368 0.959 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000040807182 352604488 /nfs/dbraw/zinc/60/44/88/352604488.db2.gz JQBLLONYWZTMPB-NXEZZACHSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)[N@H+](C)C1CC1 ZINC000300422201 352563358 /nfs/dbraw/zinc/56/33/58/352563358.db2.gz WUVZITFKJYAFDA-JBLDHEPKSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(C[NH3+])CC1 ZINC000044514438 352653890 /nfs/dbraw/zinc/65/38/90/352653890.db2.gz CWKSMTZYDNYSAR-VIFPVBQESA-N 2 0 225.336 0.324 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC000044526688 352654902 /nfs/dbraw/zinc/65/49/02/352654902.db2.gz VLQBLWGWXGIIGA-ZDUSSCGKSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH+]1CCC(NC(=O)C2(C[NH3+])CCCC2)CC1 ZINC000044762593 352656279 /nfs/dbraw/zinc/65/62/79/352656279.db2.gz XYLXXSPCIIHICH-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000044751958 352656435 /nfs/dbraw/zinc/65/64/35/352656435.db2.gz OWASDNZZKWRTJJ-UHFFFAOYSA-N 2 0 239.363 0.526 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC000638766315 352702411 /nfs/dbraw/zinc/70/24/11/352702411.db2.gz RAOLIRNFFHLGBD-VHSXEESVSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000638766388 352703304 /nfs/dbraw/zinc/70/33/04/352703304.db2.gz VLBWHGIHACRAMY-LMLFDSFASA-N 2 0 225.336 0.241 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638768427 352706034 /nfs/dbraw/zinc/70/60/34/352706034.db2.gz ZUVUZLPXZFQFSZ-HBNTYKKESA-N 2 0 241.379 0.877 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CCC[NH2+]1 ZINC000638768163 352708976 /nfs/dbraw/zinc/70/89/76/352708976.db2.gz RBKLVSBRAIAUCG-HOSYDEDBSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000638772486 352714843 /nfs/dbraw/zinc/71/48/43/352714843.db2.gz BEIBSGIKVAYINO-MEWQQHAOSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638775320 352722292 /nfs/dbraw/zinc/72/22/92/352722292.db2.gz BQZNLZWULJLILG-WHOHXGKFSA-N 2 0 239.363 0.726 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)c1cccc2c1CC[NH2+]C2 ZINC000638792897 352755137 /nfs/dbraw/zinc/75/51/37/352755137.db2.gz SAXZUKKTSHAGNT-LLVKDONJSA-N 2 0 245.326 0.424 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC([NH+](C)C)C1 ZINC000334215127 352814071 /nfs/dbraw/zinc/81/40/71/352814071.db2.gz QMWSJTQPZNYIDK-PHIMTYICSA-N 2 0 239.363 0.632 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000334198310 352790783 /nfs/dbraw/zinc/79/07/83/352790783.db2.gz LMBJPJXPTYNWAK-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C1CC[NH2+]CC1 ZINC000334212390 352810015 /nfs/dbraw/zinc/81/00/15/352810015.db2.gz RKZXPTDTDQBUGE-VHSXEESVSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H](C(=O)N1CC[NH+]2CCC1CC2)[NH+](C)C ZINC000334238927 352857657 /nfs/dbraw/zinc/85/76/57/352857657.db2.gz UBHKMMFVJLUVCP-LBPRGKRZSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000373626265 187900937 /nfs/dbraw/zinc/90/09/37/187900937.db2.gz YPIGDOWKKOAILB-GXFFZTMASA-N 2 0 239.363 0.844 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000627069385 363201227 /nfs/dbraw/zinc/20/12/27/363201227.db2.gz NOQBZZIFPSOQRX-GARJFASQSA-N 2 0 240.351 0.036 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000638815104 352995320 /nfs/dbraw/zinc/99/53/20/352995320.db2.gz FANNNEUOUMOEMK-NEPJUHHUSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCCCC[C@H]([NH3+])C2)C1 ZINC000638815173 352996521 /nfs/dbraw/zinc/99/65/21/352996521.db2.gz FRLVYEQSOXGWTL-GARJFASQSA-N 2 0 225.336 0.454 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000638815299 352996599 /nfs/dbraw/zinc/99/65/99/352996599.db2.gz LOEVNIJPZOGXSL-SNVBAGLBSA-N 2 0 225.336 0.598 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638819575 352999609 /nfs/dbraw/zinc/99/96/09/352999609.db2.gz KTKMOYIEWHQHFN-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638820228 353000149 /nfs/dbraw/zinc/00/01/49/353000149.db2.gz SWFQCCNHEBTSFH-MNOVXSKESA-N 2 0 227.352 0.844 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638822334 353003289 /nfs/dbraw/zinc/00/32/89/353003289.db2.gz IVNHOWSPUWDYOW-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](C(=O)N1CCCCC[C@H]([NH3+])C1)[NH+](C)C ZINC000638825826 353007645 /nfs/dbraw/zinc/00/76/45/353007645.db2.gz CANWIYSUTHLOEP-QWRGUYRKSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000638860054 353036257 /nfs/dbraw/zinc/03/62/57/353036257.db2.gz UKZFLZSNFVUCOW-LLVKDONJSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1CC[NH2+]CC1 ZINC000627069296 363200780 /nfs/dbraw/zinc/20/07/80/363200780.db2.gz RHUNAPRKVHVHJJ-GXSJLCMTSA-N 2 0 240.351 0.036 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[NH+](C)C ZINC000638914216 353072609 /nfs/dbraw/zinc/07/26/09/353072609.db2.gz PDAAGUGGAGHVKH-GARJFASQSA-N 2 0 225.336 0.145 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914579 353073427 /nfs/dbraw/zinc/07/34/27/353073427.db2.gz BLFGHCZNUXDSGL-ZPFDUUQYSA-N 2 0 237.347 0.467 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915127 353074272 /nfs/dbraw/zinc/07/42/72/353074272.db2.gz NJZMARCNOFFBOB-GARJFASQSA-N 2 0 237.347 0.337 20 0 BCADRP C[NH2+]CCC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638875949 353041804 /nfs/dbraw/zinc/04/18/04/353041804.db2.gz BBIMMYJNWQJUFQ-ZDUSSCGKSA-N 2 0 249.358 0.672 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638874871 353045078 /nfs/dbraw/zinc/04/50/78/353045078.db2.gz XRVJJXRQKFPIDT-DGCLKSJQSA-N 2 0 249.358 0.800 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638874872 353045183 /nfs/dbraw/zinc/04/51/83/353045183.db2.gz XRVJJXRQKFPIDT-WCQYABFASA-N 2 0 249.358 0.800 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638882726 353048649 /nfs/dbraw/zinc/04/86/49/353048649.db2.gz ZVDZPCDYFAGHPE-YPMHNXCESA-N 2 0 249.358 0.658 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000638937682 353111429 /nfs/dbraw/zinc/11/14/29/353111429.db2.gz UOVXKWWZSAXYNC-RNCFNFMXSA-N 2 0 245.326 0.852 20 0 BCADRP C[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000638923812 353084343 /nfs/dbraw/zinc/08/43/43/353084343.db2.gz IOAFRTQUYUOUNS-TXEJJXNPSA-N 2 0 237.347 0.291 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924791 353085590 /nfs/dbraw/zinc/08/55/90/353085590.db2.gz FTNNKOQKWPJGCP-GRYCIOLGSA-N 2 0 237.347 0.434 20 0 BCADRP CC[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]1 ZINC000638925704 353086044 /nfs/dbraw/zinc/08/60/44/353086044.db2.gz UAXFVSCVXGMPPE-LOWVWBTDSA-N 2 0 237.347 0.481 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925875 353086628 /nfs/dbraw/zinc/08/66/28/353086628.db2.gz YHBXWMWMQMWAAU-SDDRHHMPSA-N 2 0 237.347 0.481 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638927029 353087515 /nfs/dbraw/zinc/08/75/15/353087515.db2.gz RDRHRFMRFJAQJJ-AOOOYVTPSA-N 2 0 249.314 0.623 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[NH+]1CCC(C)CC1 ZINC000638930937 353092008 /nfs/dbraw/zinc/09/20/08/353092008.db2.gz ISMCOZXTWFBMMP-NEPJUHHUSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC[N@@H+]1C ZINC000638931532 353093036 /nfs/dbraw/zinc/09/30/36/353093036.db2.gz PXUXJPWQRKKRSE-FIQHERPVSA-N 2 0 239.363 0.665 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638933133 353094767 /nfs/dbraw/zinc/09/47/67/353094767.db2.gz WUGHWCKJQXUSDJ-HBNTYKKESA-N 2 0 241.379 0.959 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000638932954 353094825 /nfs/dbraw/zinc/09/48/25/353094825.db2.gz AUNREBMBSXRYLK-VWYCJHECSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000638933376 353095683 /nfs/dbraw/zinc/09/56/83/353095683.db2.gz BSOZZXFQZMZNIW-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@H](C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)[NH+](C)C ZINC000638933759 353096253 /nfs/dbraw/zinc/09/62/53/353096253.db2.gz ZQFHKOCVZAQVAM-LPEHRKFASA-N 2 0 213.325 0.275 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638933641 353096259 /nfs/dbraw/zinc/09/62/59/353096259.db2.gz YUGCUELIGAJDAH-MXWKQRLJSA-N 2 0 227.352 0.698 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638933644 353096352 /nfs/dbraw/zinc/09/63/52/353096352.db2.gz YUGCUELIGAJDAH-VWYCJHECSA-N 2 0 227.352 0.698 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000638934041 353096967 /nfs/dbraw/zinc/09/69/67/353096967.db2.gz FGABFJBEXXNFON-HRDYMLBCSA-N 2 0 247.289 0.179 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)CC[NH2+]C1CC1 ZINC000638928897 353098618 /nfs/dbraw/zinc/09/86/18/353098618.db2.gz CIEZJBPKALECHE-DTWKUNHWSA-N 2 0 211.309 0.077 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638935603 353099287 /nfs/dbraw/zinc/09/92/87/353099287.db2.gz OAHHKTSIXLCPQK-ZJUUUORDSA-N 2 0 213.325 0.275 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638935600 353099379 /nfs/dbraw/zinc/09/93/79/353099379.db2.gz OAHHKTSIXLCPQK-NXEZZACHSA-N 2 0 213.325 0.275 20 0 BCADRP Cn1nccc1C[NH2+]C1CCC([NH3+])CC1 ZINC000051693971 180843356 /nfs/dbraw/zinc/84/33/56/180843356.db2.gz CTWJIOXAWXSTEJ-UHFFFAOYSA-N 2 0 208.309 0.780 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](C)C[NH3+] ZINC000309250113 187997671 /nfs/dbraw/zinc/99/76/71/187997671.db2.gz DQJKBWTZBCSHNU-VHSXEESVSA-N 2 0 215.341 0.413 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCCC[NH2+]CC ZINC000309456028 353126894 /nfs/dbraw/zinc/12/68/94/353126894.db2.gz NRMBEXNRPDEMBY-NSHDSACASA-N 2 0 215.341 0.620 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638941989 353134453 /nfs/dbraw/zinc/13/44/53/353134453.db2.gz BCTFVYFBFLWOMT-GMTAPVOTSA-N 2 0 241.379 0.994 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638942128 353135219 /nfs/dbraw/zinc/13/52/19/353135219.db2.gz DRBSLXPHFONKTM-DCAQKATOSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc2nccn2c1 ZINC000638938386 353118325 /nfs/dbraw/zinc/11/83/25/353118325.db2.gz XMGIDXCRFIFXPA-KOLCDFICSA-N 2 0 244.298 0.896 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)Cc1nccn1C ZINC000299374219 188041926 /nfs/dbraw/zinc/04/19/26/188041926.db2.gz JXKQFDZICCARIB-UHFFFAOYSA-N 2 0 238.335 0.720 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000638951422 353158280 /nfs/dbraw/zinc/15/82/80/353158280.db2.gz YGXSBMFZDOKDAF-OJEHDFPISA-N 2 0 225.336 0.357 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638943842 353144019 /nfs/dbraw/zinc/14/40/19/353144019.db2.gz XGDHIDDBRJZEAY-GUBZILKMSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000638946359 353148297 /nfs/dbraw/zinc/14/82/97/353148297.db2.gz MMOUCMUCXPTAJD-UTLUCORTSA-N 2 0 211.309 0.077 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638950201 353153117 /nfs/dbraw/zinc/15/31/17/353153117.db2.gz KASSBXHWEIEVLJ-DLOVCJGASA-N 2 0 237.347 0.668 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)CC[NH2+]C2CC2)CC1 ZINC000638950118 353155187 /nfs/dbraw/zinc/15/51/87/353155187.db2.gz LAOGJORQNHRMKE-UMSPYCQHSA-N 2 0 239.363 0.762 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638966579 353175138 /nfs/dbraw/zinc/17/51/38/353175138.db2.gz FKJBSKHSSMRKFV-HAQNSBGRSA-N 2 0 241.379 0.962 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])CC(F)F)CC1 ZINC000638967984 353175902 /nfs/dbraw/zinc/17/59/02/353175902.db2.gz MXEFDNMQFLZWFD-IWSPIJDZSA-N 2 0 249.305 0.603 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000261581736 535207086 /nfs/dbraw/zinc/20/70/86/535207086.db2.gz NVMXCCLTTKETMI-LPEHRKFASA-N 2 0 213.325 0.356 20 0 BCADRP CCC1([NH+](C)C)CCN(C(=O)[C@H](C)[NH2+]C)CC1 ZINC000638981642 353191874 /nfs/dbraw/zinc/19/18/74/353191874.db2.gz VUPQKUGDNCJRRN-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP [NH3+]CC1(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCCCC1 ZINC000638996400 353232389 /nfs/dbraw/zinc/23/23/89/353232389.db2.gz HCJZLZUSTCTUFU-URLYPYJESA-N 2 0 237.347 0.230 20 0 BCADRP [NH3+]CC1(CC(=O)NC2(C[NH3+])CCCC2)CC1 ZINC000422820449 192480277 /nfs/dbraw/zinc/48/02/77/192480277.db2.gz QQCJIJIIQWVNFZ-UHFFFAOYSA-N 2 0 225.336 0.503 20 0 BCADRP CC[C@@]1(C(=O)N(C)CCC[NH3+])CCC[NH2+]1 ZINC000134369001 538111922 /nfs/dbraw/zinc/11/19/22/538111922.db2.gz DJDKGGYXUAWXLM-NSHDSACASA-N 2 0 213.325 0.326 20 0 BCADRP [NH3+]CC1(NC(=O)[C@H]([NH3+])CC(F)F)CCCCC1 ZINC000638996966 353242425 /nfs/dbraw/zinc/24/24/25/353242425.db2.gz SELASMYKTIBYES-MRVPVSSYSA-N 2 0 249.305 0.747 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1(C[NH3+])CCCCC1 ZINC000638996937 353242441 /nfs/dbraw/zinc/24/24/41/353242441.db2.gz RADHJLPRXLXYSQ-QWRGUYRKSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000639018812 353274067 /nfs/dbraw/zinc/27/40/67/353274067.db2.gz WUTZISXSPQUFSO-IJLUTSLNSA-N 2 0 239.363 0.522 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000639018811 353274385 /nfs/dbraw/zinc/27/43/85/353274385.db2.gz WUTZISXSPQUFSO-GRYCIOLGSA-N 2 0 239.363 0.522 20 0 BCADRP [NH3+]CC(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000639020265 353274484 /nfs/dbraw/zinc/27/44/84/353274484.db2.gz MVLGBWXFXBBUNF-VIFPVBQESA-N 2 0 219.288 0.109 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000639018406 353274632 /nfs/dbraw/zinc/27/46/32/353274632.db2.gz IGEZGAXVSVEHLH-VXGBXAGGSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@@]1(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]C1 ZINC000639022241 353277866 /nfs/dbraw/zinc/27/78/66/353277866.db2.gz JRUIFOCQJBPAKX-CKYFFXLPSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000639022689 353278425 /nfs/dbraw/zinc/27/84/25/353278425.db2.gz PZZONAWMASKUIG-WISYIIOYSA-N 2 0 239.363 0.890 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000627074373 363211301 /nfs/dbraw/zinc/21/13/01/363211301.db2.gz PWAPJTJJDVEJSR-OUAUKWLOSA-N 2 0 240.351 0.178 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639023187 353282020 /nfs/dbraw/zinc/28/20/20/353282020.db2.gz KOCMEXNQNMCPSX-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639030313 353296383 /nfs/dbraw/zinc/29/63/83/353296383.db2.gz SUPVEIAXSOHDSX-OPRDCNLKSA-N 2 0 213.325 0.371 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639025169 353284390 /nfs/dbraw/zinc/28/43/90/353284390.db2.gz YSKUEBJGZDKFRI-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000353423058 188234801 /nfs/dbraw/zinc/23/48/01/188234801.db2.gz CQQNLSFQLUKACM-UTUOFQBUSA-N 2 0 239.363 0.474 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH3+] ZINC000336768969 353285856 /nfs/dbraw/zinc/28/58/56/353285856.db2.gz VEGOCFMUVUXJOB-RKDXNWHRSA-N 2 0 201.314 0.215 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639026878 353287200 /nfs/dbraw/zinc/28/72/00/353287200.db2.gz HOXCLXAQNOTTIN-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NCCC[NH+](C)C ZINC000122116583 324029734 /nfs/dbraw/zinc/02/97/34/324029734.db2.gz YSCZKPPXZQUTQB-NEPJUHHUSA-N 2 0 213.369 0.868 20 0 BCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C[NH+](C)C ZINC000360410604 188243164 /nfs/dbraw/zinc/24/31/64/188243164.db2.gz IWQSWUARVLPOFT-LLVKDONJSA-N 2 0 227.352 0.348 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000362769638 188244905 /nfs/dbraw/zinc/24/49/05/188244905.db2.gz NCCKYKRGZWIMEP-NEPJUHHUSA-N 2 0 241.379 0.641 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000377810643 188251788 /nfs/dbraw/zinc/25/17/88/188251788.db2.gz CPXXBLVDOCFUPG-MXWKQRLJSA-N 2 0 225.336 0.038 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000336710149 188256402 /nfs/dbraw/zinc/25/64/02/188256402.db2.gz SZGLCKPMSBJFPQ-RKDXNWHRSA-N 2 0 201.314 0.069 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726754 188258103 /nfs/dbraw/zinc/25/81/03/188258103.db2.gz XIXZOYXWRJCXHL-ZYHUDNBSSA-N 2 0 239.363 0.713 20 0 BCADRP O[C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)C[C@@H]12 ZINC000252841691 353312329 /nfs/dbraw/zinc/31/23/29/353312329.db2.gz APCRVSADWOGUKO-UMSGYPCISA-N 2 0 224.348 0.689 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000252151386 353296857 /nfs/dbraw/zinc/29/68/57/353296857.db2.gz OQVMXYUGNLLGJF-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)ccn1 ZINC000639030949 353298470 /nfs/dbraw/zinc/29/84/70/353298470.db2.gz LOFMKPJVVNZWLR-XYPYZODXSA-N 2 0 248.330 0.540 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639030783 353298556 /nfs/dbraw/zinc/29/85/56/353298556.db2.gz YQBPBTUENCVJRW-GMTAPVOTSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639031346 353299154 /nfs/dbraw/zinc/29/91/54/353299154.db2.gz RGQCVUXESVUJPX-ZYUZMQFOSA-N 2 0 213.325 0.356 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)[NH+](C)C ZINC000252651520 353303877 /nfs/dbraw/zinc/30/38/77/353303877.db2.gz QECSGCRPSMSQJA-GARJFASQSA-N 2 0 227.352 0.441 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000639033335 353304928 /nfs/dbraw/zinc/30/49/28/353304928.db2.gz LKGSBWUDJPBSSM-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COC)C1 ZINC000563710515 353335813 /nfs/dbraw/zinc/33/58/13/353335813.db2.gz ZDBBOQGQOSPDMQ-NEPJUHHUSA-N 2 0 230.352 0.315 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000393796921 353318399 /nfs/dbraw/zinc/31/83/99/353318399.db2.gz KFILNVWEQBJBLJ-UWVGGRQHSA-N 2 0 213.325 0.454 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)[NH+](C)C ZINC000639043583 353323746 /nfs/dbraw/zinc/32/37/46/353323746.db2.gz UBWRVBVHRPGGKH-SRVKXCTJSA-N 2 0 241.379 0.959 20 0 BCADRP COCC1(C[NH2+]C[C@@]2(O)CCN(C)C2)CCC1 ZINC000639049231 353343699 /nfs/dbraw/zinc/34/36/99/353343699.db2.gz LAWRQZSDRVEBNE-ZDUSSCGKSA-N 2 0 242.363 0.459 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812658 358477979 /nfs/dbraw/zinc/47/79/79/358477979.db2.gz SVFVKHKJNNADDZ-VXGBXAGGSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCC1C[NH2+]C1 ZINC000334503470 353350734 /nfs/dbraw/zinc/35/07/34/353350734.db2.gz NNTIDAUPWWHBAA-CMPLNLGQSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639072855 353389901 /nfs/dbraw/zinc/38/99/01/353389901.db2.gz ZZBJBBLIHCMTTR-UWVGGRQHSA-N 2 0 233.315 0.813 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)[C@H]2CC[NH2+]2)c2ccccc21 ZINC000639067688 353382307 /nfs/dbraw/zinc/38/23/07/353382307.db2.gz LEQLDTJLMHBYKF-ZYHUDNBSSA-N 2 0 245.326 0.828 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627076511 363217578 /nfs/dbraw/zinc/21/75/78/363217578.db2.gz DMLLFXMTSCSYTJ-LPEHRKFASA-N 2 0 228.340 0.019 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)[C@H](C)[NH3+] ZINC000165526884 353384608 /nfs/dbraw/zinc/38/46/08/353384608.db2.gz XJVGBNRNZDUQEP-VWYCJHECSA-N 2 0 227.352 0.522 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1CCCCC[NH2+]1 ZINC000364463766 188352793 /nfs/dbraw/zinc/35/27/93/188352793.db2.gz GGOADKZSEDGKIO-WDEREUQCSA-N 2 0 225.336 0.387 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](C)C1 ZINC000110653815 188352867 /nfs/dbraw/zinc/35/28/67/188352867.db2.gz VRDYVPZWOWQDGR-LLVKDONJSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000336778659 188354814 /nfs/dbraw/zinc/35/48/14/188354814.db2.gz LXWNTKSMSLDCTP-JQWIXIFHSA-N 2 0 222.336 0.882 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000520810190 324110078 /nfs/dbraw/zinc/11/00/78/324110078.db2.gz IRCACJHNFSAVCL-AXFHLTTASA-N 2 0 227.352 0.748 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)N[C@@H](C[NH3+])C2CC2)C[NH2+]1 ZINC000627079218 363223688 /nfs/dbraw/zinc/22/36/88/363223688.db2.gz UVWGKXSQDUGJHN-IEBDPFPHSA-N 2 0 240.351 0.163 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000165602654 353405057 /nfs/dbraw/zinc/40/50/57/353405057.db2.gz WXHYUKAJSTZIJI-RYUDHWBXSA-N 2 0 239.363 0.442 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627080334 363225063 /nfs/dbraw/zinc/22/50/63/363225063.db2.gz POZRMBMHCOONNM-GARJFASQSA-N 2 0 242.367 0.554 20 0 BCADRP CC(=O)NCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366559575 188370162 /nfs/dbraw/zinc/37/01/62/188370162.db2.gz RDRIWLDBVLXYCJ-CYBMUJFWSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627081853 363227950 /nfs/dbraw/zinc/22/79/50/363227950.db2.gz UQQVHFQTZGLLGO-BBBLOLIVSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627081855 363228117 /nfs/dbraw/zinc/22/81/17/363228117.db2.gz UQQVHFQTZGLLGO-OPRDCNLKSA-N 2 0 228.340 0.021 20 0 BCADRP COCC[N@H+](C)CCCN[C@@H]1C[NH+](C)C[C@@H]1C ZINC000343301768 353467225 /nfs/dbraw/zinc/46/72/25/353467225.db2.gz JFKLYYRADOPARY-QWHCGFSZSA-N 2 0 243.395 0.494 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)c1c[nH+]ccc1N ZINC000295174387 188393248 /nfs/dbraw/zinc/39/32/48/188393248.db2.gz LVFMYILHCYTKOU-SNVBAGLBSA-N 2 0 222.292 0.377 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)N[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000627083110 363232937 /nfs/dbraw/zinc/23/29/37/363232937.db2.gz PJYYPSXKHFHRMO-GARJFASQSA-N 2 0 240.351 0.178 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627082646 363233793 /nfs/dbraw/zinc/23/37/93/363233793.db2.gz METIJBNVKFWDPY-NXEZZACHSA-N 2 0 240.351 0.308 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000334514255 353579353 /nfs/dbraw/zinc/57/93/53/353579353.db2.gz HTDLMFBHSQZXGD-WDEREUQCSA-N 2 0 227.352 0.535 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000193545385 353599902 /nfs/dbraw/zinc/59/99/02/353599902.db2.gz UFFDKIMIQWYTJH-WCFLWFBJSA-N 2 0 247.342 0.943 20 0 BCADRP CNC(=O)[C@]1(C)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000230896475 353551074 /nfs/dbraw/zinc/55/10/74/353551074.db2.gz ZGDQYWWXESQSOA-CYBMUJFWSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000627086070 363237681 /nfs/dbraw/zinc/23/76/81/363237681.db2.gz GESXFASROVBKNE-GARJFASQSA-N 2 0 240.351 0.178 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000627088877 363242169 /nfs/dbraw/zinc/24/21/69/363242169.db2.gz KHSGUAOCMQOVKJ-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000627086322 363240226 /nfs/dbraw/zinc/24/02/26/363240226.db2.gz PJYYPSXKHFHRMO-AXFHLTTASA-N 2 0 240.351 0.178 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000627088875 363242582 /nfs/dbraw/zinc/24/25/82/363242582.db2.gz KHSGUAOCMQOVKJ-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000577864665 366090128 /nfs/dbraw/zinc/09/01/28/366090128.db2.gz RAFOVMWHJGIADC-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000232014744 353680453 /nfs/dbraw/zinc/68/04/53/353680453.db2.gz BCJNEUKROUPJDA-QWRGUYRKSA-N 2 0 225.336 0.420 20 0 BCADRP CC[C@@H](O)CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000398467488 363246006 /nfs/dbraw/zinc/24/60/06/363246006.db2.gz COFIXQMEHMKRTH-CHWSQXEVSA-N 2 0 244.379 0.584 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC/C=C/C[NH3+] ZINC000627092695 363250872 /nfs/dbraw/zinc/25/08/72/363250872.db2.gz DAIFOTVZIJIVFA-PGLGOXFNSA-N 2 0 240.351 0.141 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H](C)CCC[NH3+] ZINC000627096254 363253368 /nfs/dbraw/zinc/25/33/68/363253368.db2.gz UAWLYIBNFZJRLH-SECBINFHSA-N 2 0 216.329 0.104 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)CCC[NH3+] ZINC000627096729 363253455 /nfs/dbraw/zinc/25/34/55/363253455.db2.gz YTCKUISYLKXQPA-GARJFASQSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627093190 363249291 /nfs/dbraw/zinc/24/92/91/363249291.db2.gz JVGRYIPGKBCMHC-NXEZZACHSA-N 2 0 228.340 0.165 20 0 BCADRP C[C@H]([NH3+])C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000195161204 353730112 /nfs/dbraw/zinc/73/01/12/353730112.db2.gz AFWDSCPLULVMMK-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000627098979 363256847 /nfs/dbraw/zinc/25/68/47/363256847.db2.gz ZOUWWUIQVWWTSI-QCLAVDOMSA-N 2 0 228.340 0.162 20 0 BCADRP Fc1ccccc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000035529285 181012817 /nfs/dbraw/zinc/01/28/17/181012817.db2.gz IHKAOCZRPXZNSL-UHFFFAOYSA-N 2 0 237.322 0.821 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@H]1C[NH2+]C ZINC000178285209 366112232 /nfs/dbraw/zinc/11/22/32/366112232.db2.gz YDVVWAIJTLCOGI-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000627106043 363264885 /nfs/dbraw/zinc/26/48/85/363264885.db2.gz FWCFRZOSSFQZJS-OUAUKWLOSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000343410174 353879185 /nfs/dbraw/zinc/87/91/85/353879185.db2.gz BGBHIFUYWGKXGI-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000343432622 353884511 /nfs/dbraw/zinc/88/45/11/353884511.db2.gz HHEMNJKRJVMOOC-YFKTTZPYSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)[C@H](C)C[NH2+]1 ZINC000343447003 353891029 /nfs/dbraw/zinc/89/10/29/353891029.db2.gz YVRKKQFSIVXJAJ-WISYIIOYSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627106896 363265599 /nfs/dbraw/zinc/26/55/99/363265599.db2.gz MVJRNCWUAJMSDX-AATLWQCWSA-N 2 0 228.340 0.162 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000627106295 363265692 /nfs/dbraw/zinc/26/56/92/363265692.db2.gz HPADQQAILPHSMJ-ZRUFSTJUSA-N 2 0 242.367 0.552 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627106242 363265823 /nfs/dbraw/zinc/26/58/23/363265823.db2.gz GVXUIPJBTHFWCN-NAKRPEOUSA-N 2 0 242.367 0.552 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)CN(C)C ZINC000343672922 353950864 /nfs/dbraw/zinc/95/08/64/353950864.db2.gz RBZFGMLNTZIGOJ-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000343469503 353899092 /nfs/dbraw/zinc/89/90/92/353899092.db2.gz XUICQUKRXVLETN-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000343468493 353899376 /nfs/dbraw/zinc/89/93/76/353899376.db2.gz DPTLWSZXCVIINR-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627117203 363282238 /nfs/dbraw/zinc/28/22/38/363282238.db2.gz UYXFCQHIPWCKOD-NXEZZACHSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000343643187 353951974 /nfs/dbraw/zinc/95/19/74/353951974.db2.gz PRVDPZFNFPFMIW-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000343645664 353952537 /nfs/dbraw/zinc/95/25/37/353952537.db2.gz DDHFQYCWCZFEDC-ZJUUUORDSA-N 2 0 227.352 0.700 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC1(C)CC[NH2+]CC1 ZINC000335911605 133989035 /nfs/dbraw/zinc/98/90/35/133989035.db2.gz RCHTZGMKGKYSHY-MNOVXSKESA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449653582 201995265 /nfs/dbraw/zinc/99/52/65/201995265.db2.gz CKFWCSWJHWDHIX-DJLDLDEBSA-N 2 0 249.305 0.473 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CCCC1 ZINC000334579934 354127935 /nfs/dbraw/zinc/12/79/35/354127935.db2.gz JQELAWGXASRDJS-MRVPVSSYSA-N 2 0 247.289 0.371 20 0 BCADRP CC(=O)N1CC[N@H+](CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000334572661 354101651 /nfs/dbraw/zinc/10/16/51/354101651.db2.gz IPBJLFVJPTVNPZ-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449655808 201996421 /nfs/dbraw/zinc/99/64/21/201996421.db2.gz HVCKPRRONKQXDI-YUMQZZPRSA-N 2 0 235.278 0.227 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)C)CC[N@@H+]1C ZINC000344182377 354176416 /nfs/dbraw/zinc/17/64/16/354176416.db2.gz HKZXGRTXHIPVSQ-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP CC[NH+]1CCC(NC(=O)CCC[NH2+]C)CC1 ZINC000038098305 358484681 /nfs/dbraw/zinc/48/46/81/358484681.db2.gz WHRAPUKADUVYSE-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)C1(C[NH3+])CCC1 ZINC000449682476 202001740 /nfs/dbraw/zinc/00/17/40/202001740.db2.gz HIFUFEWOVZVPKQ-UHFFFAOYSA-N 2 0 227.352 0.668 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C1(C[NH3+])CCC1 ZINC000449689465 202002014 /nfs/dbraw/zinc/00/20/14/202002014.db2.gz ZMAGIWPLVQAKKE-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000449722362 202009030 /nfs/dbraw/zinc/00/90/30/202009030.db2.gz KRDACPGPKUOLKF-GHMZBOCLSA-N 2 0 241.379 0.995 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000449724786 202009353 /nfs/dbraw/zinc/00/93/53/202009353.db2.gz NHEWCVKJTUPBSF-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000449729484 202011745 /nfs/dbraw/zinc/01/17/45/202011745.db2.gz ZWIRIUISUWAGFX-DMDPSCGWSA-N 2 0 239.363 0.762 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449732262 202012196 /nfs/dbraw/zinc/01/21/96/202012196.db2.gz AQEGZBCFYHENHU-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449745145 202017740 /nfs/dbraw/zinc/01/77/40/202017740.db2.gz BBWLQZMBZUMXBI-MXWKQRLJSA-N 2 0 239.363 0.761 20 0 BCADRP FC1(F)CNCC[C@@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000334614743 354300098 /nfs/dbraw/zinc/30/00/98/354300098.db2.gz DRBVYCBUOKVIMB-MNOVXSKESA-N 2 0 247.333 0.963 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)C1([NH3+])CCCCC1 ZINC000334621315 354358536 /nfs/dbraw/zinc/35/85/36/354358536.db2.gz SWXMXOXLBVCZBD-BDAKNGLRSA-N 2 0 213.325 0.500 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000449747993 202019629 /nfs/dbraw/zinc/01/96/29/202019629.db2.gz AFCRBKREIXDHBL-WDEREUQCSA-N 2 0 239.363 0.775 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449750832 202019840 /nfs/dbraw/zinc/01/98/40/202019840.db2.gz WTPASDNGZHJORG-DTWKUNHWSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000578014224 366178015 /nfs/dbraw/zinc/17/80/15/366178015.db2.gz DMAQLVMMTPLMSS-JQWIXIFHSA-N 2 0 235.331 0.930 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000334640310 354395691 /nfs/dbraw/zinc/39/56/91/354395691.db2.gz IXVDYXTYSDVYKG-PWSUYJOCSA-N 2 0 225.336 0.196 20 0 BCADRP CN(C(=O)C[C@@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]CC1 ZINC000334663160 354463465 /nfs/dbraw/zinc/46/34/65/354463465.db2.gz AIEPNTIUELRACW-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]1CN(C(=O)C2(C[NH3+])CCCC2)CC[C@@H]1[NH3+] ZINC000334708617 354504255 /nfs/dbraw/zinc/50/42/55/354504255.db2.gz NOTXVTWPAFPANN-QWRGUYRKSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000335095965 354635443 /nfs/dbraw/zinc/63/54/43/354635443.db2.gz ZAFOPLGLIFAMDX-SECBINFHSA-N 2 0 233.315 0.866 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C)[NH+](C)C ZINC000345327062 354611656 /nfs/dbraw/zinc/61/16/56/354611656.db2.gz SQAHYCFZXKIIOM-SDDRHHMPSA-N 2 0 241.379 0.926 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000335120120 354758204 /nfs/dbraw/zinc/75/82/04/354758204.db2.gz OLZPSFFYIMVEIB-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H](O)C[N@H+](CCO)CCC[NH+]1CCCCC1 ZINC000351948807 134016187 /nfs/dbraw/zinc/01/61/87/134016187.db2.gz IPYAQEAJYKQBIN-CYBMUJFWSA-N 2 0 244.379 0.538 20 0 BCADRP C[C@H](O)C[C@H](C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000398644112 363394020 /nfs/dbraw/zinc/39/40/20/363394020.db2.gz WANSXFPBASAWFQ-RWMBFGLXSA-N 2 0 244.379 0.440 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C1CC([NH3+])C1 ZINC000627158156 363398644 /nfs/dbraw/zinc/39/86/44/363398644.db2.gz LEOYJTSCSSMRRF-WFBLGPOFSA-N 2 0 240.351 0.258 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000627158798 363399007 /nfs/dbraw/zinc/39/90/07/363399007.db2.gz DWKITSYIHFPBFN-LPEHRKFASA-N 2 0 228.340 0.116 20 0 BCADRP C[NH+](C)CCOCC[NH2+]CC1(C)COC1 ZINC000234245397 363418059 /nfs/dbraw/zinc/41/80/59/363418059.db2.gz WLAWEONATQMTGA-UHFFFAOYSA-N 2 0 216.325 0.191 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C[NH2+]CC1CC1 ZINC000449750517 202020808 /nfs/dbraw/zinc/02/08/08/202020808.db2.gz VBJVLHOJRAAKDB-JTQLQIEISA-N 2 0 225.336 0.243 20 0 BCADRP Cc1ccc(CCC[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000345999670 354836332 /nfs/dbraw/zinc/83/63/32/354836332.db2.gz WQNUBHKZXZWDRG-KBPBESRZSA-N 2 0 249.358 0.493 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000235165095 363438587 /nfs/dbraw/zinc/43/85/87/363438587.db2.gz CYKDOZDUCXFPPU-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCN(C)C[C@@H]1C ZINC000235162016 363438662 /nfs/dbraw/zinc/43/86/62/363438662.db2.gz JFFGINSENRTGCI-ZJUUUORDSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000235165410 363438719 /nfs/dbraw/zinc/43/87/19/363438719.db2.gz CYKDOZDUCXFPPU-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H](CN(C)C)[NH2+]C1CCC(O)CC1 ZINC000235436493 363444128 /nfs/dbraw/zinc/44/41/28/363444128.db2.gz JNCCNNPNAVYUQU-KPPDAEKUSA-N 2 0 200.326 0.830 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H](C[NH3+])C(C)C ZINC000054128941 491069130 /nfs/dbraw/zinc/06/91/30/491069130.db2.gz KPRUXQZETOWVGR-JTQLQIEISA-N 2 0 215.341 0.285 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000166056176 354956077 /nfs/dbraw/zinc/95/60/77/354956077.db2.gz NQGWWFAHDKQRTL-DDHJBXDOSA-N 2 0 241.379 0.816 20 0 BCADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000346542701 354982331 /nfs/dbraw/zinc/98/23/31/354982331.db2.gz IWHQSQHIIWGYMM-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP Cc1cnc(CN2C[C@H](C[NH3+])C[C@H]2C)cn1 ZINC000346686314 355012527 /nfs/dbraw/zinc/01/25/27/355012527.db2.gz UAOVNTWDFWGCSL-MNOVXSKESA-N 2 0 220.320 0.954 20 0 BCADRP CC(C)(C[NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000236612160 491072720 /nfs/dbraw/zinc/07/27/20/491072720.db2.gz XJKLKSBIYGXNEC-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP CC(C)(C[NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000236613707 491072454 /nfs/dbraw/zinc/07/24/54/491072454.db2.gz XJKLKSBIYGXNEC-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP c1ncn(C2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000346818460 355124382 /nfs/dbraw/zinc/12/43/82/355124382.db2.gz GHZMWBZGTBMYQU-GFCCVEGCSA-N 2 0 249.362 0.915 20 0 BCADRP Cc1n[nH]cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346832643 355129473 /nfs/dbraw/zinc/12/94/73/355129473.db2.gz RHZFAQMLXIOKQL-WCQGTBRESA-N 2 0 220.320 0.887 20 0 BCADRP C[C@H](O)C[N@@H+]1CCN(CC(C)(C)[NH3+])C[C@@H]1C ZINC000346848360 355136907 /nfs/dbraw/zinc/13/69/07/355136907.db2.gz QEKDCJGSPKVHKE-QWRGUYRKSA-N 2 0 229.368 0.111 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000335255755 355187227 /nfs/dbraw/zinc/18/72/27/355187227.db2.gz GETQQZNWIDZURU-NSHDSACASA-N 2 0 240.351 0.084 20 0 BCADRP [NH3+]CC1(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000335255635 355187476 /nfs/dbraw/zinc/18/74/76/355187476.db2.gz IBRSWXYOLDZAPZ-TXEJJXNPSA-N 3 0 223.364 0.657 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000346989449 355189431 /nfs/dbraw/zinc/18/94/31/355189431.db2.gz RLALOXKMEVKCAC-QWHCGFSZSA-N 2 0 225.380 0.870 20 0 BCADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000335257463 355193767 /nfs/dbraw/zinc/19/37/67/355193767.db2.gz KSZPMBDZWNAPMU-LLVKDONJSA-N 2 0 225.336 0.278 20 0 BCADRP CC(C)([NH3+])CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000347001827 355199636 /nfs/dbraw/zinc/19/96/36/355199636.db2.gz IGVJSSSSUVZSGE-GFCCVEGCSA-N 2 0 241.379 0.378 20 0 BCADRP O[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000623748935 355297006 /nfs/dbraw/zinc/29/70/06/355297006.db2.gz OJWXEDZOSYKUIN-WUHRBBMRSA-N 2 0 224.348 0.974 20 0 BCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)C[NH3+] ZINC000335616442 355323167 /nfs/dbraw/zinc/32/31/67/355323167.db2.gz GVAMPWRXRGOHGJ-MNOVXSKESA-N 2 0 242.367 0.315 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC1CC[NH+](C)CC1 ZINC000583498198 355331425 /nfs/dbraw/zinc/33/14/25/355331425.db2.gz CPKUCZUOCNJLGB-UWVGGRQHSA-N 2 0 242.367 0.506 20 0 BCADRP COCC(C)(C)C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414777134 191565879 /nfs/dbraw/zinc/56/58/79/191565879.db2.gz GKRJCWQPMVOBPO-UHFFFAOYSA-N 2 0 243.395 0.544 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000335816015 355506157 /nfs/dbraw/zinc/50/61/57/355506157.db2.gz HDQYTSHZJSQXJL-WDEREUQCSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000335816012 355506222 /nfs/dbraw/zinc/50/62/22/355506222.db2.gz HDQYTSHZJSQXJL-GHMZBOCLSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)[C@H](C)[NH3+] ZINC000335816013 355506304 /nfs/dbraw/zinc/50/63/04/355506304.db2.gz HDQYTSHZJSQXJL-MNOVXSKESA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]CCC[NH2+]CCC(C)(C)C(=O)OC ZINC000414858439 191603382 /nfs/dbraw/zinc/60/33/82/191603382.db2.gz JIAZECCPNZAWDE-UHFFFAOYSA-N 2 0 216.325 0.775 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000349961596 355541171 /nfs/dbraw/zinc/54/11/71/355541171.db2.gz MSQAIHWARFVKMD-GMTAPVOTSA-N 2 0 227.352 0.713 20 0 BCADRP CCNC(=O)C(C)(C)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415091148 191676988 /nfs/dbraw/zinc/67/69/88/191676988.db2.gz BUIZCTNUCYCFJP-GHMZBOCLSA-N 2 0 241.379 0.879 20 0 BCADRP O=C1C[C@H]([NH2+]CC2CC[NH2+]CC2)CN1C1CC1 ZINC000415116832 191682732 /nfs/dbraw/zinc/68/27/32/191682732.db2.gz VHFHXNYVTUSZSJ-NSHDSACASA-N 2 0 237.347 0.339 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)NCC[C@H]1CCC[NH2+]1 ZINC000583563489 355613497 /nfs/dbraw/zinc/61/34/97/355613497.db2.gz AGXTXMWIOSKFOR-GHMZBOCLSA-N 2 0 225.336 0.387 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000335874360 355642182 /nfs/dbraw/zinc/64/21/82/355642182.db2.gz JUGBUCZPUOBHFB-BXKDBHETSA-N 2 0 225.336 0.230 20 0 BCADRP O=C(CC[NH2+]C1CC1)NCCC[NH2+]C1CC1 ZINC000583574565 355656728 /nfs/dbraw/zinc/65/67/28/355656728.db2.gz CWIAQNQRDQEUAI-UHFFFAOYSA-N 2 0 225.336 0.387 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000417886835 355630936 /nfs/dbraw/zinc/63/09/36/355630936.db2.gz ZGUDSWHAQZDEOW-ATZCPNFKSA-N 2 0 240.351 0.116 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000417315838 191788132 /nfs/dbraw/zinc/78/81/32/191788132.db2.gz DDOMAIBLFMOBJU-MNOVXSKESA-N 2 0 244.383 0.481 20 0 BCADRP CCC[NH2+]CCNC(=O)NCC[NH+](CC)CC ZINC000416788320 191759440 /nfs/dbraw/zinc/75/94/40/191759440.db2.gz IBVQBNKAVROFMM-UHFFFAOYSA-N 2 0 244.383 0.627 20 0 BCADRP CC[NH+](CC)CCNC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000416789991 191759636 /nfs/dbraw/zinc/75/96/36/191759636.db2.gz LRHPXTTUVFTCDG-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000417318293 191792736 /nfs/dbraw/zinc/79/27/36/191792736.db2.gz LKBPAPSLHFFKII-WDEREUQCSA-N 2 0 244.383 0.624 20 0 BCADRP [NH3+][C@@H](C(=O)NCCC[NH+]1CCCC1)C1CCC1 ZINC000399089743 355836747 /nfs/dbraw/zinc/83/67/47/355836747.db2.gz WAJFXNQILKDISR-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371018497 355877369 /nfs/dbraw/zinc/87/73/69/355877369.db2.gz NKAVIPBFBBBJAX-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000583614171 355831084 /nfs/dbraw/zinc/83/10/84/355831084.db2.gz FSNKGGYUUKWPOZ-GUBZILKMSA-N 2 0 227.352 0.474 20 0 BCADRP CC[NH2+]CCCNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000583614542 355832728 /nfs/dbraw/zinc/83/27/28/355832728.db2.gz PMHAXZAKCCGORR-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)CC[NH3+])C[C@@H]1C[NH3+] ZINC000583632268 355941626 /nfs/dbraw/zinc/94/16/26/355941626.db2.gz TZQNYWFXALKEKD-BBBLOLIVSA-N 2 0 213.325 0.167 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000167357478 355985508 /nfs/dbraw/zinc/98/55/08/355985508.db2.gz HKGCMKLNQLKFGC-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H](C(=O)N[C@H](C[NH3+])C(C)(C)C)[C@H](C)[NH3+] ZINC000417825855 191931056 /nfs/dbraw/zinc/93/10/56/191931056.db2.gz BQAYIKOOFGWIIV-HRDYMLBCSA-N 2 0 215.341 0.459 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000417836935 191933515 /nfs/dbraw/zinc/93/35/15/191933515.db2.gz LWIZWXRTVUGVAI-NHCYSSNCSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C[NH2+]CCOC ZINC000167198814 355969691 /nfs/dbraw/zinc/96/96/91/355969691.db2.gz SPNUYTMKJIAADH-LLVKDONJSA-N 2 0 245.367 0.069 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000418058276 191959172 /nfs/dbraw/zinc/95/91/72/191959172.db2.gz KQWSWXYIKALLTE-NXEZZACHSA-N 2 0 242.367 0.506 20 0 BCADRP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000617556290 356117441 /nfs/dbraw/zinc/11/74/41/356117441.db2.gz NJZKVOJUOPVGOV-GFCCVEGCSA-N 2 0 241.379 0.879 20 0 BCADRP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](C)C1 ZINC000617556291 356117650 /nfs/dbraw/zinc/11/76/50/356117650.db2.gz NJZKVOJUOPVGOV-LBPRGKRZSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC000351861580 356099300 /nfs/dbraw/zinc/09/93/00/356099300.db2.gz KSPBIAGIJBQJNN-MNOVXSKESA-N 2 0 225.336 0.278 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000418260425 192006206 /nfs/dbraw/zinc/00/62/06/192006206.db2.gz PCSHOISDLRMBSR-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP C[NH2+]CCCNC(=O)N1CC[NH+](C(C)C)CC1 ZINC000418279745 192012833 /nfs/dbraw/zinc/01/28/33/192012833.db2.gz QAUIWMBZSGFLQV-UHFFFAOYSA-N 2 0 242.367 0.332 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000351904556 356175955 /nfs/dbraw/zinc/17/59/55/356175955.db2.gz CPDKQNDCYHINHO-QWRGUYRKSA-N 2 0 242.367 0.330 20 0 BCADRP C[C@H](C[NH3+])NC(=O)NCC1([NH3+])CCCCC1 ZINC000418294926 192020109 /nfs/dbraw/zinc/02/01/09/192020109.db2.gz IJTMGZWCLPOUJV-SECBINFHSA-N 2 0 228.340 0.294 20 0 BCADRP CCN(CCC[NH+](CC)CC)C(=O)NCC[NH3+] ZINC000418294968 192020238 /nfs/dbraw/zinc/02/02/38/192020238.db2.gz HUJQGOWLNXMPNJ-UHFFFAOYSA-N 2 0 244.383 0.709 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCC[NH3+])C1 ZINC000418296976 192020460 /nfs/dbraw/zinc/02/04/60/192020460.db2.gz MQNMRQGCIAVVBM-SNVBAGLBSA-N 2 0 228.340 0.071 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCCC[NH3+])C1 ZINC000418306448 192021527 /nfs/dbraw/zinc/02/15/27/192021527.db2.gz BCUDXODEZJMNAD-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCCC[NH3+] ZINC000418312443 192021708 /nfs/dbraw/zinc/02/17/08/192021708.db2.gz OMBXIPGEXZXPHR-SNVBAGLBSA-N 2 0 242.367 0.413 20 0 BCADRP [NH3+]CCCNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418310557 192022034 /nfs/dbraw/zinc/02/20/34/192022034.db2.gz KBSZNTSEADZMQX-NSHDSACASA-N 2 0 242.367 0.542 20 0 BCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCC[NH3+] ZINC000418310796 192022105 /nfs/dbraw/zinc/02/21/05/192022105.db2.gz KTJBLWZFEXSJDK-NSHDSACASA-N 2 0 242.367 0.317 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418312767 192022394 /nfs/dbraw/zinc/02/23/94/192022394.db2.gz HNJBSSDGUJBODX-MNOVXSKESA-N 2 0 242.367 0.269 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCCC[NH2+]C ZINC000418313698 192022649 /nfs/dbraw/zinc/02/26/49/192022649.db2.gz VZLJTSRYIVKVKK-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP [NH3+]CCCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418315315 192023231 /nfs/dbraw/zinc/02/32/31/192023231.db2.gz UVDWLJVVBUWDPN-UWVGGRQHSA-N 2 0 228.340 0.152 20 0 BCADRP C[NH2+]CCNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418320144 192024123 /nfs/dbraw/zinc/02/41/23/192024123.db2.gz SSMFTTRIXSFWRW-NSHDSACASA-N 2 0 242.367 0.413 20 0 BCADRP CC[NH2+]CCNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418320017 192024342 /nfs/dbraw/zinc/02/43/42/192024342.db2.gz SAJKOHRYYTWYSG-WDEREUQCSA-N 2 0 242.367 0.413 20 0 BCADRP O=C(NCCC[NH2+]C1CC1)NC[C@@H]1CCC[NH2+]1 ZINC000418284438 192014399 /nfs/dbraw/zinc/01/43/99/192014399.db2.gz BVBBQIIPAZIHAO-NSHDSACASA-N 2 0 240.351 0.180 20 0 BCADRP CC[NH2+]CCNC(=O)NCCC[NH2+]C1CC1 ZINC000418287282 192014760 /nfs/dbraw/zinc/01/47/60/192014760.db2.gz JVTAPPSBBMDVSP-UHFFFAOYSA-N 2 0 228.340 0.037 20 0 BCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)CCC[NH3+])CC[C@@H]21 ZINC000167511407 356199146 /nfs/dbraw/zinc/19/91/46/356199146.db2.gz WZHVFZNZYJITFH-RYUDHWBXSA-N 2 0 239.363 0.668 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NCCC[NH2+]C1CC1 ZINC000418291706 192016774 /nfs/dbraw/zinc/01/67/74/192016774.db2.gz WRRIJVISUYDRTM-LLVKDONJSA-N 2 0 242.367 0.411 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333150719 356263427 /nfs/dbraw/zinc/26/34/27/356263427.db2.gz FDVCOXPKTZBACC-QWRGUYRKSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)[C@H](CO)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000394058392 356238910 /nfs/dbraw/zinc/23/89/10/356238910.db2.gz DLBYPTSSISFULS-QWHCGFSZSA-N 2 0 244.379 0.297 20 0 BCADRP CC1(C)CO[C@H](C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000639456092 356241255 /nfs/dbraw/zinc/24/12/55/356241255.db2.gz AGDOWRLCKANYPC-UTUOFQBUSA-N 2 0 224.348 0.953 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420319872 192194926 /nfs/dbraw/zinc/19/49/26/192194926.db2.gz ASFDWZPPZMKQSD-CHWSQXEVSA-N 3 0 241.379 0.283 20 0 BCADRP O=c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc[nH]1 ZINC000639457269 356242766 /nfs/dbraw/zinc/24/27/66/356242766.db2.gz RQPVTINRNMWFPZ-PHIMTYICSA-N 2 0 219.288 0.438 20 0 BCADRP COC(=O)CC1(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000420292903 192203726 /nfs/dbraw/zinc/20/37/26/192203726.db2.gz QHEGIBREDYFQLB-WDEREUQCSA-N 2 0 240.347 0.999 20 0 BCADRP NC[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420292662 192203746 /nfs/dbraw/zinc/20/37/46/192203746.db2.gz PUQANGORTNXRLO-NEPJUHHUSA-N 2 0 211.353 0.799 20 0 BCADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)CC(C)(C)C[NH3+] ZINC000420291289 192203896 /nfs/dbraw/zinc/20/38/96/192203896.db2.gz NCNCBCKDGYTAEL-NSHDSACASA-N 3 0 213.369 0.903 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000420299675 192206759 /nfs/dbraw/zinc/20/67/59/192206759.db2.gz BGFVJVVUQSUFBK-TUAOUCFPSA-N 2 0 240.347 0.997 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420319073 192195158 /nfs/dbraw/zinc/19/51/58/192195158.db2.gz OUWBHBDHOYRENH-GHMZBOCLSA-N 2 0 228.336 0.997 20 0 BCADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCCF ZINC000420319085 192195183 /nfs/dbraw/zinc/19/51/83/192195183.db2.gz XBFPUCRTKUIZKU-NSHDSACASA-N 2 0 245.342 0.666 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333503649 356294900 /nfs/dbraw/zinc/29/49/00/356294900.db2.gz DPSJTKBBTPPSNZ-VPOLOUISSA-N 2 0 237.347 0.099 20 0 BCADRP C[C@@H]1CNC[C@H](C)[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420302239 192207073 /nfs/dbraw/zinc/20/70/73/192207073.db2.gz BMZPOMJIPWDSGC-TUAOUCFPSA-N 2 0 211.353 0.668 20 0 BCADRP OCC[C@H]1CSCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420301261 192206657 /nfs/dbraw/zinc/20/66/57/192206657.db2.gz LFZAHWUNCWKNGW-NEPJUHHUSA-N 2 0 244.404 0.786 20 0 BCADRP C[C@@H](CCNC(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000617753531 356312406 /nfs/dbraw/zinc/31/24/06/356312406.db2.gz FJJOURBZYJRDQI-UWVGGRQHSA-N 2 0 215.341 0.393 20 0 BCADRP CC[N@H+](CC(=O)NCC[C@H](C)[NH+](C)C)C1CC1 ZINC000617755969 356316635 /nfs/dbraw/zinc/31/66/35/356316635.db2.gz ZLUPHQDHVPYKLI-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP CCOC(=O)CC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000420303930 192207230 /nfs/dbraw/zinc/20/72/30/192207230.db2.gz XPXZTSZDPPIPHN-JTQLQIEISA-N 2 0 228.336 0.999 20 0 BCADRP CC(=O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000639494513 356319498 /nfs/dbraw/zinc/31/94/98/356319498.db2.gz IPKHUDDWIYVCRQ-GFCCVEGCSA-N 2 0 210.321 0.993 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420316553 192213149 /nfs/dbraw/zinc/21/31/49/192213149.db2.gz YIYXZQIANOSCJS-UWVGGRQHSA-N 2 0 214.309 0.609 20 0 BCADRP COC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332530 192214030 /nfs/dbraw/zinc/21/40/30/192214030.db2.gz RUNTVKIOROCUBD-GHMZBOCLSA-N 2 0 226.320 0.481 20 0 BCADRP COC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332539 192214505 /nfs/dbraw/zinc/21/45/05/192214505.db2.gz RUNTVKIOROCUBD-WDEREUQCSA-N 2 0 226.320 0.481 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000336135523 134095851 /nfs/dbraw/zinc/09/58/51/134095851.db2.gz IOFKBFZFHCWVIJ-QWRGUYRKSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]CCOCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420340594 192215738 /nfs/dbraw/zinc/21/57/38/192215738.db2.gz SYEXZHUKZLOBSW-CYBMUJFWSA-N 3 0 241.379 0.426 20 0 BCADRP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@@H]1CC[NH2+]C1 ZINC000420342546 192216840 /nfs/dbraw/zinc/21/68/40/192216840.db2.gz QXTGYJCSYDYRDO-MELADBBJSA-N 3 0 237.391 0.917 20 0 BCADRP CC(C)[C@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000420352693 192218415 /nfs/dbraw/zinc/21/84/15/192218415.db2.gz ASRPYOLJUSKZRU-LLVKDONJSA-N 2 0 216.325 0.319 20 0 BCADRP COC[C@](C)(CCO)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420307164 192209067 /nfs/dbraw/zinc/20/90/67/192209067.db2.gz RIAOJQMKBPPCTH-OLZOCXBDSA-N 2 0 244.379 0.753 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000420312970 192211255 /nfs/dbraw/zinc/21/12/55/192211255.db2.gz SUDWXZKDYQZCQX-QJPTWQEYSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@@H]1[C@H](C)NCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420313184 192211337 /nfs/dbraw/zinc/21/13/37/192211337.db2.gz PIKDTOJHKRQKTK-QJPTWQEYSA-N 2 0 211.353 0.668 20 0 BCADRP CO[C@@H](C)C[N@H+](CCN1CC[NH2+]CC1)C(C)C ZINC000420314591 192212610 /nfs/dbraw/zinc/21/26/10/192212610.db2.gz ZBSJHJCCAPDUDB-ZDUSSCGKSA-N 2 0 243.395 0.637 20 0 BCADRP C[N@H+](CC[C@H]1CC[NH2+]C1)CCn1cccn1 ZINC000420313429 192212828 /nfs/dbraw/zinc/21/28/28/192212828.db2.gz JBNZTGBCKKBVGL-GFCCVEGCSA-N 2 0 222.336 0.815 20 0 BCADRP CCC(CC)(C[NH2+]CCC[NH3+])C(=O)OC ZINC000420371086 192227148 /nfs/dbraw/zinc/22/71/48/192227148.db2.gz KEJDZJOZLOAVFV-UHFFFAOYSA-N 2 0 216.325 0.904 20 0 BCADRP C[C@@H]1CN(CC[N@H+](C)C2CC([NH3+])C2)CCO1 ZINC000420328985 192228961 /nfs/dbraw/zinc/22/89/61/192228961.db2.gz IPLZWINDGFPPIY-VOMCLLRMSA-N 2 0 227.352 0.129 20 0 BCADRP CCC[C@@H]1C(=O)NCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420360746 192222123 /nfs/dbraw/zinc/22/21/23/192222123.db2.gz MCVGGNLAFJMUNF-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[N@H+](CCCc1ccsc1)C[C@H](O)C[NH3+] ZINC000420359417 192222533 /nfs/dbraw/zinc/22/25/33/192222533.db2.gz VYNUNVAKBOZJDO-LLVKDONJSA-N 2 0 228.361 0.932 20 0 BCADRP C[N@H+](CCCc1ccsc1)C[C@@H](O)C[NH3+] ZINC000420359419 192222805 /nfs/dbraw/zinc/22/28/05/192222805.db2.gz VYNUNVAKBOZJDO-NSHDSACASA-N 2 0 228.361 0.932 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@H]1CC(=O)OC ZINC000420365861 192223548 /nfs/dbraw/zinc/22/35/48/192223548.db2.gz SWPBOAHCJHDGAJ-JTQLQIEISA-N 2 0 214.309 0.623 20 0 BCADRP COC(=O)[C@H](C)C[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420367397 192225087 /nfs/dbraw/zinc/22/50/87/192225087.db2.gz VRFIRTJHBBFRMM-GHMZBOCLSA-N 2 0 228.336 0.727 20 0 BCADRP [NH3+]C[C@@H]1C[N@H+](CC[C@H]2CCCCO2)CCCO1 ZINC000420389686 192234475 /nfs/dbraw/zinc/23/44/75/192234475.db2.gz MIIZWWZEGVSXSZ-CHWSQXEVSA-N 2 0 242.363 0.995 20 0 BCADRP [NH3+]C[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)CCCO1 ZINC000420389689 192235337 /nfs/dbraw/zinc/23/53/37/192235337.db2.gz MIIZWWZEGVSXSZ-QWHCGFSZSA-N 2 0 242.363 0.995 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420419822 192241215 /nfs/dbraw/zinc/24/12/15/192241215.db2.gz XUOIFFHXSALCEW-NEPJUHHUSA-N 2 0 241.379 0.772 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420379986 192233772 /nfs/dbraw/zinc/23/37/72/192233772.db2.gz BYDVGSCPTJIJLJ-CHWSQXEVSA-N 3 0 241.379 0.426 20 0 BCADRP C[C@]1(C(=O)NC2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000336154717 134105388 /nfs/dbraw/zinc/10/53/88/134105388.db2.gz CVEQUUFZSFSIGW-LBPRGKRZSA-N 2 0 225.336 0.244 20 0 BCADRP CC[NH+](CCC[N@@H+](CC)C[C@@H](C)O)C[C@@H](C)O ZINC000352220535 134109144 /nfs/dbraw/zinc/10/91/44/134109144.db2.gz IFBKPKMKTKTJGZ-CHWSQXEVSA-N 2 0 246.395 0.782 20 0 BCADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)[NH3+] ZINC000019422956 356483017 /nfs/dbraw/zinc/48/30/17/356483017.db2.gz YDXVGWGFLSXDFX-WDEREUQCSA-N 2 0 229.368 0.960 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000019412390 356483217 /nfs/dbraw/zinc/48/32/17/356483217.db2.gz NEUYQFLDSSDPKS-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](C)[NH3+] ZINC000019422958 356483464 /nfs/dbraw/zinc/48/34/64/356483464.db2.gz YDXVGWGFLSXDFX-MNOVXSKESA-N 2 0 229.368 0.960 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCCn1ccnc1 ZINC000020506368 356489626 /nfs/dbraw/zinc/48/96/26/356489626.db2.gz ZKWZUNLTPNTPQL-GHMZBOCLSA-N 2 0 238.335 0.763 20 0 BCADRP CC[NH+](CC)CCCN1CC[C@@H](NC(C)=O)C1 ZINC000420958586 192280940 /nfs/dbraw/zinc/28/09/40/192280940.db2.gz PJYRCEQLUNJUIR-CYBMUJFWSA-N 2 0 241.379 0.929 20 0 BCADRP O=C(CCC1CC[NH2+]CC1)N[C@H]1CCC[NH2+]C1 ZINC000179768673 366301329 /nfs/dbraw/zinc/30/13/29/366301329.db2.gz XXKXGRYPICISRC-LBPRGKRZSA-N 2 0 239.363 0.634 20 0 BCADRP CC(=O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000639655093 356560053 /nfs/dbraw/zinc/56/00/53/356560053.db2.gz IPXFVEFHSPJYKY-LBPRGKRZSA-N 2 0 210.321 0.993 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C2([NH3+])CCC2)C1 ZINC000336219402 134138444 /nfs/dbraw/zinc/13/84/44/134138444.db2.gz NQKONGSKPOEBLJ-WDEREUQCSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)N(C)CC[NH+](C)C)C[NH2+]1 ZINC000627200195 363497963 /nfs/dbraw/zinc/49/79/63/363497963.db2.gz LUFQVYGEOFYMNR-MNOVXSKESA-N 2 0 242.367 0.330 20 0 BCADRP CC[C@@H]([NH2+]C[C@@](C)(O)CCOC)[C@@H]1CCC[NH2+]1 ZINC000422982442 192517248 /nfs/dbraw/zinc/51/72/48/192517248.db2.gz WUILKFMGFPZRCS-AGIUHOORSA-N 2 0 244.379 0.894 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)N(C)CCC[NH3+])C[NH2+]1 ZINC000627206228 363502303 /nfs/dbraw/zinc/50/23/03/363502303.db2.gz IFHIFABPFSPVCE-ZJUUUORDSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627207009 363502989 /nfs/dbraw/zinc/50/29/89/363502989.db2.gz NEMQEURTQHGTGG-LPEHRKFASA-N 2 0 228.340 0.163 20 0 BCADRP CC[C@H]([NH2+]C[C@@H](C)CO)[C@@H]1CCC[NH2+]1 ZINC000422978564 192514294 /nfs/dbraw/zinc/51/42/94/192514294.db2.gz ZPNBSJVWEZLUGV-VWYCJHECSA-N 2 0 200.326 0.735 20 0 BCADRP Cn1cncc1CCN1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000639666007 356580423 /nfs/dbraw/zinc/58/04/23/356580423.db2.gz NVUCOUJHVCZPDO-YPMHNXCESA-N 2 0 234.347 0.599 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)N2CCC([NH3+])CC2)C[NH2+]1 ZINC000627207944 363504968 /nfs/dbraw/zinc/50/49/68/363504968.db2.gz UVVCZTAXYZBMGM-KOLCDFICSA-N 2 0 240.351 0.260 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627210480 363506302 /nfs/dbraw/zinc/50/63/02/363506302.db2.gz QNDZMQGITXLGLZ-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000167601008 134152641 /nfs/dbraw/zinc/15/26/41/134152641.db2.gz NNJDPDCFIGBVHE-WOPDTQHZSA-N 2 0 212.337 0.940 20 0 BCADRP c1cc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000088288155 356655580 /nfs/dbraw/zinc/65/55/80/356655580.db2.gz PFXKOJNHLALYAV-BETUJISGSA-N 2 0 217.316 0.775 20 0 BCADRP CCN(CC)C(=O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088287610 356657132 /nfs/dbraw/zinc/65/71/32/356657132.db2.gz ARKODCZOKCKNIB-QWRGUYRKSA-N 2 0 225.336 0.006 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000627226738 363555026 /nfs/dbraw/zinc/55/50/26/363555026.db2.gz QZCIMYFBJQDNMF-ZJUUUORDSA-N 2 0 228.340 0.069 20 0 BCADRP C[NH+]1CCC2(CC[N@H+](CCCO)C2)CC1 ZINC000639756975 356664120 /nfs/dbraw/zinc/66/41/20/356664120.db2.gz BHOGBFBMIRAVMP-UHFFFAOYSA-N 2 0 212.337 0.787 20 0 BCADRP C[NH+]1CCC2(CC[N@H+](CCOCCO)C2)CC1 ZINC000639755395 356657965 /nfs/dbraw/zinc/65/79/65/356657965.db2.gz JSAGCFSIGKGQCZ-UHFFFAOYSA-N 2 0 242.363 0.413 20 0 BCADRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)nn1 ZINC000639758812 356669889 /nfs/dbraw/zinc/66/98/89/356669889.db2.gz WQEHLHZPXBHAIT-UHFFFAOYSA-N 2 0 249.362 0.733 20 0 BCADRP C[NH2+]CCN(C)C(=O)C1(C[NH3+])CCCC1 ZINC000168147550 134156180 /nfs/dbraw/zinc/15/61/80/134156180.db2.gz RRHJMSKTKZTRTD-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP CC[C@H](C[N@@H+]1CCC[C@](O)(CN(C)C)C1)OC ZINC000639760862 356675670 /nfs/dbraw/zinc/67/56/70/356675670.db2.gz BWKPDESOHXDBRN-OLZOCXBDSA-N 2 0 244.379 0.800 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C[NH+](C)C ZINC000167925969 134155060 /nfs/dbraw/zinc/15/50/60/134155060.db2.gz YQMHCIQDVPIJQS-UWVGGRQHSA-N 2 0 213.325 0.276 20 0 BCADRP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCC(C)(C)O)C1 ZINC000639763304 356688919 /nfs/dbraw/zinc/68/89/19/356688919.db2.gz PZLBJJOBJRSWEP-ZDUSSCGKSA-N 2 0 244.379 0.536 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000353455565 134163825 /nfs/dbraw/zinc/16/38/25/134163825.db2.gz YHFZIEJXFKBTQM-SRVKXCTJSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000578173030 366355589 /nfs/dbraw/zinc/35/55/89/366355589.db2.gz ZBMRMHSBJXEINB-GRYCIOLGSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000578173033 366355063 /nfs/dbraw/zinc/35/50/63/366355063.db2.gz ZBMRMHSBJXEINB-WOPDTQHZSA-N 2 0 239.363 0.762 20 0 BCADRP CC1(C)CN(C(=O)[C@@]2(F)CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000367187867 356746152 /nfs/dbraw/zinc/74/61/52/356746152.db2.gz SQZDSLYXRINYMA-JOYOIKCWSA-N 2 0 243.326 0.274 20 0 BCADRP CC[NH+]1CCC(CCNC(=O)CC[NH2+]C)CC1 ZINC000357243084 356820366 /nfs/dbraw/zinc/82/03/66/356820366.db2.gz PZABAKZMLBIDJB-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP CCN1C[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1=O ZINC000423158417 192596032 /nfs/dbraw/zinc/59/60/32/192596032.db2.gz WRUCLGACZUXLOB-KXUCPTDWSA-N 2 0 213.325 0.323 20 0 BCADRP CN(C)C(=O)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623387799 356919835 /nfs/dbraw/zinc/91/98/35/356919835.db2.gz WEOOTRKXDUXWLC-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000132798371 491105094 /nfs/dbraw/zinc/10/50/94/491105094.db2.gz WBESDVOXNTWAJQ-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)CC[C@@H](C)[NH3+] ZINC000193170588 356890448 /nfs/dbraw/zinc/89/04/48/356890448.db2.gz MSBLXTAKDFAXKD-DTWKUNHWSA-N 2 0 201.314 0.086 20 0 BCADRP CCC1CC([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000423200173 192624502 /nfs/dbraw/zinc/62/45/02/192624502.db2.gz DQWLELPOVFAUFD-UHFFFAOYSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000582300230 357036713 /nfs/dbraw/zinc/03/67/13/357036713.db2.gz MNKOCCWQMZEBAU-JQWIXIFHSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000582300231 357036824 /nfs/dbraw/zinc/03/68/24/357036824.db2.gz MNKOCCWQMZEBAU-PWSUYJOCSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+]CCCCC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000582302277 357040221 /nfs/dbraw/zinc/04/02/21/357040221.db2.gz NDZBKQBROFUCTJ-LLVKDONJSA-N 2 0 227.352 0.845 20 0 BCADRP CN1C[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1=O ZINC000623393656 357003189 /nfs/dbraw/zinc/00/31/89/357003189.db2.gz MXQYWATUXDOYSM-WDEREUQCSA-N 2 0 239.363 0.680 20 0 BCADRP CC[NH+](CC)CCCN1CC[N@H+](C)C[C@@H]1CO ZINC000639869345 357015205 /nfs/dbraw/zinc/01/52/05/357015205.db2.gz BDFHFJYGEDROSI-CYBMUJFWSA-N 2 0 243.395 0.327 20 0 BCADRP C[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000390680903 357114244 /nfs/dbraw/zinc/11/42/44/357114244.db2.gz ZQXGWOPTTRKGRK-IJLUTSLNSA-N 2 0 211.353 0.655 20 0 BCADRP C[C@H](C[NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000390487605 357096779 /nfs/dbraw/zinc/09/67/79/357096779.db2.gz PGPHOFJCVYYLPF-MRVPVSSYSA-N 2 0 207.277 0.679 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000582362095 357101441 /nfs/dbraw/zinc/10/14/41/357101441.db2.gz WYCDBTSNTBHYEV-LBPRGKRZSA-N 2 0 235.331 0.745 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000582409958 357137893 /nfs/dbraw/zinc/13/78/93/357137893.db2.gz LSZAOHHDVBFPKB-ZYHUDNBSSA-N 2 0 227.352 0.762 20 0 BCADRP CC(C)[C@@H](C(=O)NCC1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000582415082 357140840 /nfs/dbraw/zinc/14/08/40/357140840.db2.gz XSSDJJBMNVZAQG-CMPLNLGQSA-N 2 0 241.379 0.722 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC(F)F ZINC000582421251 357144254 /nfs/dbraw/zinc/14/42/54/357144254.db2.gz LQWFHNXDXKGARC-SFYZADRCSA-N 2 0 237.294 0.459 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000582425713 357145831 /nfs/dbraw/zinc/14/58/31/357145831.db2.gz KMUJICHECVJQGG-NWDGAFQWSA-N 2 0 230.352 0.315 20 0 BCADRP CC1(C)CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC[C@@H]1[NH3+] ZINC000374619200 357165778 /nfs/dbraw/zinc/16/57/78/357165778.db2.gz NNTDJFJDTLHKRL-AEJSXWLSSA-N 2 0 243.326 0.272 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@]2(OC)CCOC2)CC1 ZINC000123164695 357212983 /nfs/dbraw/zinc/21/29/83/357212983.db2.gz YSSSMAKOJQAGJN-CYBMUJFWSA-N 2 0 242.363 0.866 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CO)CC1 ZINC000393564977 357287336 /nfs/dbraw/zinc/28/73/36/357287336.db2.gz QBXUWYUQWFJHNK-QWHCGFSZSA-N 2 0 244.379 0.393 20 0 BCADRP COC(C)(C)C[N@H+](C)CCOCC[NH3+] ZINC000393607189 357289298 /nfs/dbraw/zinc/28/92/98/357289298.db2.gz ZWFAWHKJTDWDRI-UHFFFAOYSA-N 2 0 204.314 0.319 20 0 BCADRP CS(=O)(=O)C1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000393685966 357292378 /nfs/dbraw/zinc/29/23/78/357292378.db2.gz QCMGUIHPGMVEDQ-NXEZZACHSA-N 2 0 246.376 0.423 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000393749055 357295740 /nfs/dbraw/zinc/29/57/40/357295740.db2.gz AOGGJJFUBDRPDH-NSHDSACASA-N 2 0 213.325 0.244 20 0 BCADRP [NH3+]CCC1CC[NH+](CCn2cncn2)CC1 ZINC000393820835 357302204 /nfs/dbraw/zinc/30/22/04/357302204.db2.gz VWPGOFGUIXVIEK-UHFFFAOYSA-N 2 0 223.324 0.339 20 0 BCADRP COCCN(C)C[C@H](O)C[N@@H+]1CCC(C)(C)C1 ZINC000393876236 357304383 /nfs/dbraw/zinc/30/43/83/357304383.db2.gz GBJQSMUEKPNBAJ-LBPRGKRZSA-N 2 0 244.379 0.657 20 0 BCADRP COCCN(C)C[C@H](O)C[N@@H+]1CCCC1(C)C ZINC000393882840 357305102 /nfs/dbraw/zinc/30/51/02/357305102.db2.gz NLVHKNFYJTZDPS-LBPRGKRZSA-N 2 0 244.379 0.800 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NC(C)(C)CCC[NH3+] ZINC000393917997 357307242 /nfs/dbraw/zinc/30/72/42/357307242.db2.gz NPOPORBACMZZDM-RKDXNWHRSA-N 2 0 215.341 0.603 20 0 BCADRP COC[C@H](C)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000381462829 357262047 /nfs/dbraw/zinc/26/20/47/357262047.db2.gz LNTHESAQUHDZCG-LLVKDONJSA-N 2 0 230.352 0.315 20 0 BCADRP CC[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C(C)C ZINC000582481566 357316957 /nfs/dbraw/zinc/31/69/57/357316957.db2.gz UQVQWLBSGQYRED-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000582492916 357320449 /nfs/dbraw/zinc/32/04/49/357320449.db2.gz UWSHWPSCPGOREM-OUAUKWLOSA-N 2 0 225.336 0.276 20 0 BCADRP CCN(C)C[C@@H](O)C[N@@H+]1CC[C@@](C)(COC)C1 ZINC000394479664 357351172 /nfs/dbraw/zinc/35/11/72/357351172.db2.gz CNCGXUKUQLIBBR-CHWSQXEVSA-N 2 0 244.379 0.657 20 0 BCADRP CCN(C)C[C@H](O)C[N@@H+]1CC[C@](C)(COC)C1 ZINC000394479671 357351451 /nfs/dbraw/zinc/35/14/51/357351451.db2.gz CNCGXUKUQLIBBR-STQMWFEESA-N 2 0 244.379 0.657 20 0 BCADRP Cc1nc(CNC[C@@]2(O)CC[N@@H+](C)C2)[nH]c1C ZINC000582617877 357354291 /nfs/dbraw/zinc/35/42/91/357354291.db2.gz RGBCMGQNDSGDEW-LBPRGKRZSA-N 2 0 238.335 0.183 20 0 BCADRP Cc1n[nH]cc1CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000582780437 357390702 /nfs/dbraw/zinc/39/07/02/357390702.db2.gz PKQAUIMRSMWOPO-GFCCVEGCSA-N 2 0 238.335 0.263 20 0 BCADRP C[C@H]([NH3+])CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000582786959 357394351 /nfs/dbraw/zinc/39/43/51/357394351.db2.gz RDKLWANZZSFXCD-CYZMBNFOSA-N 2 0 241.379 0.552 20 0 BCADRP C[C@H]([NH3+])CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000582786960 357394365 /nfs/dbraw/zinc/39/43/65/357394365.db2.gz RDKLWANZZSFXCD-DRZSPHRISA-N 2 0 241.379 0.552 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000582787160 357395168 /nfs/dbraw/zinc/39/51/68/357395168.db2.gz ZTWCRYZYMJUWEI-AOOOYVTPSA-N 2 0 246.314 0.461 20 0 BCADRP C[NH+](C)C[C@H](O)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623408518 357405735 /nfs/dbraw/zinc/40/57/35/357405735.db2.gz YVTXJHWIHXAAGY-VXGBXAGGSA-N 2 0 243.395 0.371 20 0 BCADRP C[C@]1(CNC(=O)C[NH2+]C2CC2)CCC[NH2+]C1 ZINC000582835454 357411756 /nfs/dbraw/zinc/41/17/56/357411756.db2.gz SKZPVDQBRKRMLQ-LBPRGKRZSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662648817 491110437 /nfs/dbraw/zinc/11/04/37/491110437.db2.gz KHVQLQBZICSOEI-MNOVXSKESA-N 2 0 239.363 0.762 20 0 BCADRP CCCN(C(=O)C[NH2+]C(C)C)[C@@H]1CC[NH2+]C1 ZINC000582856394 357421708 /nfs/dbraw/zinc/42/17/08/357421708.db2.gz KIHAJUNPAXXCSV-LLVKDONJSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+]CCC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000582903715 357427096 /nfs/dbraw/zinc/42/70/96/357427096.db2.gz GCOWXPJQRMGCNM-JTQLQIEISA-N 2 0 235.331 0.932 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000582964051 357440408 /nfs/dbraw/zinc/44/04/08/357440408.db2.gz SOFOQVHCDOGRKV-ZETCQYMHSA-N 2 0 223.267 0.085 20 0 BCADRP Cc1n[nH]c(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000392383413 357501090 /nfs/dbraw/zinc/50/10/90/357501090.db2.gz HCUPISVDBBGHCA-MWLCHTKSSA-N 2 0 237.351 0.585 20 0 BCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH3+] ZINC000583023698 357452441 /nfs/dbraw/zinc/45/24/41/357452441.db2.gz GJYRLVSOGAFTIQ-GHMZBOCLSA-N 2 0 227.352 0.713 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NCC1CC[NH2+]CC1 ZINC000583014296 357460695 /nfs/dbraw/zinc/46/06/95/357460695.db2.gz PFDLYWJAXFKVRX-LLVKDONJSA-N 2 0 242.367 0.269 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC1=CC[NH2+]CC1 ZINC000583083455 357474150 /nfs/dbraw/zinc/47/41/50/357474150.db2.gz SGVRCQZZQOJTCJ-UWVGGRQHSA-N 2 0 240.351 0.331 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000583143110 357493272 /nfs/dbraw/zinc/49/32/72/357493272.db2.gz VXZZTYSPTJPSME-ZJUUUORDSA-N 2 0 225.336 0.359 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188689303 357571395 /nfs/dbraw/zinc/57/13/95/357571395.db2.gz ZMGWETONJXTIBG-VHSXEESVSA-N 2 0 245.342 0.390 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)CC[C@H](C)[NH3+] ZINC000230711305 357574082 /nfs/dbraw/zinc/57/40/82/357574082.db2.gz HUDWQJBKXVDEOX-NSHDSACASA-N 2 0 229.368 0.914 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000397612429 357627832 /nfs/dbraw/zinc/62/78/32/357627832.db2.gz SAYRSBMBGMRBIR-NEPJUHHUSA-N 3 0 241.379 0.303 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCCOCC[NH+](C)C ZINC000232602916 357668274 /nfs/dbraw/zinc/66/82/74/357668274.db2.gz SCDXWYWPYSMRTI-LLVKDONJSA-N 2 0 245.367 0.054 20 0 BCADRP COC[C@@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623415169 357762980 /nfs/dbraw/zinc/76/29/80/357762980.db2.gz BICUMAJUPILOCN-AAEUAGOBSA-N 2 0 244.379 0.846 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCOCC[NH+](C)C ZINC000233971589 357763958 /nfs/dbraw/zinc/76/39/58/357763958.db2.gz GWMBNQDZEWDBRF-MNOVXSKESA-N 2 0 245.367 0.054 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000234362213 357792230 /nfs/dbraw/zinc/79/22/30/357792230.db2.gz WODPGGOGKZBLAK-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CCN(CCC[NH+]1CCCCC1)CC(N)=O ZINC000191737578 357792839 /nfs/dbraw/zinc/79/28/39/357792839.db2.gz RWHGMUIGPKWNGS-UHFFFAOYSA-N 2 0 227.352 0.670 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@H](C)C[NH2+]C)CC1 ZINC000086067426 357801772 /nfs/dbraw/zinc/80/17/72/357801772.db2.gz IHMNUGNNSOGXCQ-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CCC[NH+]1CCCC1 ZINC000234716353 357819475 /nfs/dbraw/zinc/81/94/75/357819475.db2.gz LVSCWJBBIGJCIW-CYBMUJFWSA-N 3 0 243.395 0.816 20 0 BCADRP C[C@@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)[C@H](C)[NH3+] ZINC000192105911 357823175 /nfs/dbraw/zinc/82/31/75/357823175.db2.gz WANAKIFZQQNHHY-MNOVXSKESA-N 2 0 239.363 0.666 20 0 BCADRP Cc1c[nH+]ccc1N1CC[NH+](C[C@@H](C)O)CC1 ZINC000192843202 357857122 /nfs/dbraw/zinc/85/71/22/357857122.db2.gz AVRCLZGTOXRKHU-GFCCVEGCSA-N 2 0 235.331 0.893 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CC1(N(C)C)CCC1 ZINC000234779802 357828210 /nfs/dbraw/zinc/82/82/10/357828210.db2.gz QZYFPBVXMYLZSV-LBPRGKRZSA-N 2 0 243.395 0.814 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000132937580 325255373 /nfs/dbraw/zinc/25/53/73/325255373.db2.gz DIDCVDIMUICVEU-RYUDHWBXSA-N 2 0 241.379 0.973 20 0 BCADRP C[NH2+]CC1CC[NH+](Cc2cncn2C)CC1 ZINC000085170780 134224694 /nfs/dbraw/zinc/22/46/94/134224694.db2.gz RVDCYUFPYPJDTG-UHFFFAOYSA-N 2 0 222.336 0.852 20 0 BCADRP NC(=O)c1c[nH+]ccc1NCC[C@H]1CCC[NH2+]1 ZINC000399254137 357899740 /nfs/dbraw/zinc/89/97/40/357899740.db2.gz YVQJRJWDCGJTQF-SECBINFHSA-N 2 0 234.303 0.156 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)C2(C)C[NH2+]C2)C1 ZINC000399307527 357902061 /nfs/dbraw/zinc/90/20/61/357902061.db2.gz ZVXNQLRDGCYVHI-LLVKDONJSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000583321413 357903424 /nfs/dbraw/zinc/90/34/24/357903424.db2.gz HIVYMYBCTHVSQL-TUAOUCFPSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+][C@H](C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)C1CCC1 ZINC000584408573 357913171 /nfs/dbraw/zinc/91/31/71/357913171.db2.gz HGYUNELYNRMODO-WCQGTBRESA-N 2 0 239.363 0.748 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000583751465 357934015 /nfs/dbraw/zinc/93/40/15/357934015.db2.gz YBRZSGRTLXEFNF-GVXVVHGQSA-N 2 0 237.347 0.196 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CCC2(CC[NH2+]2)CC1 ZINC000583751906 357934028 /nfs/dbraw/zinc/93/40/28/357934028.db2.gz GGXRYLYQPYZIHO-UHFFFAOYSA-N 2 0 237.347 0.341 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000583751466 357934190 /nfs/dbraw/zinc/93/41/90/357934190.db2.gz YBRZSGRTLXEFNF-LOWVWBTDSA-N 2 0 237.347 0.196 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CC[C@@H](C)C[C@H]1CO ZINC000639937715 357939325 /nfs/dbraw/zinc/93/93/25/357939325.db2.gz CURSPVFXFYGRBY-FRRDWIJNSA-N 2 0 244.379 0.392 20 0 BCADRP C[C@H]([NH2+]C[C@@H](CO)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000584463672 357980197 /nfs/dbraw/zinc/98/01/97/357980197.db2.gz DDDBTZSHAVLERN-UHTWSYAYSA-N 2 0 226.364 0.983 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000085975720 358001312 /nfs/dbraw/zinc/00/13/12/358001312.db2.gz WBIBOJLNCHCNTP-MXWKQRLJSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(C)COC1 ZINC000133645545 325306029 /nfs/dbraw/zinc/30/60/29/325306029.db2.gz YCUKUQBTCGTFEB-MNOVXSKESA-N 2 0 212.337 0.953 20 0 BCADRP C[C@@H]1CN(C(=O)N(C)CCC[NH3+])C[C@@]1(C)C[NH3+] ZINC000584519925 358030137 /nfs/dbraw/zinc/03/01/37/358030137.db2.gz TXNVVWCHBNTBAP-ZYHUDNBSSA-N 2 0 242.367 0.304 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000584537396 358048056 /nfs/dbraw/zinc/04/80/56/358048056.db2.gz CXPGLCHGYVRDFQ-GHMZBOCLSA-N 2 0 227.352 0.665 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220861626 358055556 /nfs/dbraw/zinc/05/55/56/358055556.db2.gz JWRVXONYFBGRIC-WOPDTQHZSA-N 2 0 239.363 0.524 20 0 BCADRP O=C(C[NH2+]C1CC1)NCCC[C@H]1CCC[NH2+]1 ZINC000583866490 358055718 /nfs/dbraw/zinc/05/57/18/358055718.db2.gz NFCNBRRJJQDPPT-SNVBAGLBSA-N 2 0 225.336 0.387 20 0 BCADRP C[C@H](C(=O)NC(C)(C)C)N1CCC[C@@H](C[NH3+])C1 ZINC000217553406 134248452 /nfs/dbraw/zinc/24/84/52/134248452.db2.gz LBUOIZNILFZBKD-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)C[NH2+]C1CC1 ZINC000037476890 358071302 /nfs/dbraw/zinc/07/13/02/358071302.db2.gz IXKXKAJDLWHRQR-UHFFFAOYSA-N 2 0 227.352 0.442 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH2+]C1CC1 ZINC000037476897 358071537 /nfs/dbraw/zinc/07/15/37/358071537.db2.gz XMQGNXAFUIUCBG-LLVKDONJSA-N 2 0 225.336 0.339 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000037484895 358072745 /nfs/dbraw/zinc/07/27/45/358072745.db2.gz XMMQGGJSKJBKQH-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H](C)N1 ZINC000169110894 134249711 /nfs/dbraw/zinc/24/97/11/134249711.db2.gz ZHTOUSYTAYNHJR-PHIMTYICSA-N 2 0 211.353 0.668 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)CC[NH3+])CC1 ZINC000037041691 358064427 /nfs/dbraw/zinc/06/44/27/358064427.db2.gz BGEIMOXOGRUBPF-UHFFFAOYSA-N 2 0 213.325 0.324 20 0 BCADRP CCCNC(=O)[C@@H](C)N1CCC[C@@H](C[NH3+])C1 ZINC000217555125 134248100 /nfs/dbraw/zinc/24/81/00/134248100.db2.gz BSWXODMJASWRNM-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000669521303 491123036 /nfs/dbraw/zinc/12/30/36/491123036.db2.gz KUJVRYIRUWMRJW-DCAQKATOSA-N 2 0 225.336 0.467 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000584721240 358161977 /nfs/dbraw/zinc/16/19/77/358161977.db2.gz LSZBOXHRHIITHJ-AAEUAGOBSA-N 2 0 235.331 0.022 20 0 BCADRP CCC[NH2+]CCNC(=O)c1ccnc(C[NH3+])c1 ZINC000584779553 358176057 /nfs/dbraw/zinc/17/60/57/358176057.db2.gz RIMXQMYMNPQVAP-UHFFFAOYSA-N 2 0 236.319 0.270 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000584781958 358176840 /nfs/dbraw/zinc/17/68/40/358176840.db2.gz QXPWPKUQBDZTEB-ZWNOBZJWSA-N 2 0 239.363 0.620 20 0 BCADRP CN1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCC1=O ZINC000223026902 358214172 /nfs/dbraw/zinc/21/41/72/358214172.db2.gz CDUGVOHVQVACLC-OUAUKWLOSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222968359 358216191 /nfs/dbraw/zinc/21/61/91/358216191.db2.gz UOGJVLGEQJWQCA-IJLUTSLNSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H]1C[N@H+](CCN2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000224973041 358242897 /nfs/dbraw/zinc/24/28/97/358242897.db2.gz RPMDZAIXHXCYIB-RYUDHWBXSA-N 2 0 227.352 0.001 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000225861474 358313454 /nfs/dbraw/zinc/31/34/54/358313454.db2.gz BHDOVZHGTVVRBF-AGIUHOORSA-N 2 0 242.363 0.600 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)CC[NH2+]C ZINC000041680325 358333915 /nfs/dbraw/zinc/33/39/15/358333915.db2.gz ZEIBNFPXIPNDAR-UHFFFAOYSA-N 2 0 215.341 0.396 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCCCC[NH+](C)C ZINC000041679623 358333943 /nfs/dbraw/zinc/33/39/43/358333943.db2.gz VGLCFAQXSFMTRJ-UHFFFAOYSA-N 2 0 229.368 0.833 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCCC1(C[NH3+])CC1 ZINC000653216224 491128273 /nfs/dbraw/zinc/12/82/73/491128273.db2.gz SVPBAQUYZHFKFH-SECBINFHSA-N 2 0 213.325 0.087 20 0 BCADRP C[C@@]1(C(=O)NCCC2(C[NH3+])CC2)CC[NH2+]C1 ZINC000653215774 491128426 /nfs/dbraw/zinc/12/84/26/491128426.db2.gz AIZMOOFGLMNRGD-LLVKDONJSA-N 2 0 225.336 0.231 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000226396609 358338188 /nfs/dbraw/zinc/33/81/88/358338188.db2.gz BGJPUERENPFPBQ-AAEUAGOBSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H](CNC(=O)C[NH2+]C1CC1)[N@H+](C)C1CC1 ZINC000229094137 358345194 /nfs/dbraw/zinc/34/51/94/358345194.db2.gz OHNJAXZOEIJVJW-SECBINFHSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CCC[NH2+]2)CC[N@@H+]1C ZINC000226869225 358345886 /nfs/dbraw/zinc/34/58/86/358345886.db2.gz ZZSZCJGJSKXNMZ-NTZNESFSSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(C[C@H]2CCCCO2)CCO1 ZINC000252685210 366417932 /nfs/dbraw/zinc/41/79/32/366417932.db2.gz HRHHYBPHDQBXCL-TUAOUCFPSA-N 2 0 228.336 0.604 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000230711906 358410087 /nfs/dbraw/zinc/41/00/87/358410087.db2.gz QXFJXCFRCMDGGZ-CYBMUJFWSA-N 2 0 241.379 0.929 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613661078 363608281 /nfs/dbraw/zinc/60/82/81/363608281.db2.gz RMZGJYUBWMOALI-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H](C)[NH2+]C ZINC000230711518 358410315 /nfs/dbraw/zinc/41/03/15/358410315.db2.gz IGVJHFZEAKVIPO-JTQLQIEISA-N 2 0 215.341 0.395 20 0 BCADRP [NH3+]CCCCNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000043595793 358383687 /nfs/dbraw/zinc/38/36/87/358383687.db2.gz GQXJZKDOAYLHNG-ZDUSSCGKSA-N 2 0 247.342 0.729 20 0 BCADRP CC[NH+]1CCC(CNC(=O)CCC[NH2+]C)CC1 ZINC000044526771 358389338 /nfs/dbraw/zinc/38/93/38/358389338.db2.gz NNLFVUYSATVJJS-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538880 358389414 /nfs/dbraw/zinc/38/94/14/358389414.db2.gz OPSVMRKQUWZLCQ-WOPDTQHZSA-N 2 0 241.379 0.818 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000044539016 358390847 /nfs/dbraw/zinc/39/08/47/358390847.db2.gz VSGTXUYRTWDVAS-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH+]1CCC(CNC(=O)[C@H](C)C[NH3+])CC1 ZINC000044808407 358393953 /nfs/dbraw/zinc/39/39/53/358393953.db2.gz INLQACWHZYHSOA-SNVBAGLBSA-N 2 0 227.352 0.429 20 0 BCADRP CNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000230385218 358398445 /nfs/dbraw/zinc/39/84/45/358398445.db2.gz RUVSKRSVOVEPFI-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC000229357923 358402759 /nfs/dbraw/zinc/40/27/59/358402759.db2.gz CZAAUHZRNBKFRF-WDEREUQCSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCN2CCSCC2)C1 ZINC000230931760 358412944 /nfs/dbraw/zinc/41/29/44/358412944.db2.gz GSFYNXLOQXYGMN-NEPJUHHUSA-N 2 0 243.420 0.895 20 0 BCADRP CO[C@@H](C)[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219314838 134281344 /nfs/dbraw/zinc/28/13/44/134281344.db2.gz CIOXDEZEOFIFMJ-QWRGUYRKSA-N 2 0 218.341 0.578 20 0 BCADRP CCOC[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219320925 134281599 /nfs/dbraw/zinc/28/15/99/134281599.db2.gz FSYKLWPNKNEUBQ-NSHDSACASA-N 2 0 218.341 0.579 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000086270526 358563303 /nfs/dbraw/zinc/56/33/03/358563303.db2.gz IXNKWTCVSMPHEV-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000086270524 358563336 /nfs/dbraw/zinc/56/33/36/358563336.db2.gz IXNKWTCVSMPHEV-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+](C)C1CC1 ZINC000086271923 358573669 /nfs/dbraw/zinc/57/36/69/358573669.db2.gz GFBFLVOYQARZMK-ONGXEEELSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)[NH3+] ZINC000167196330 358652770 /nfs/dbraw/zinc/65/27/70/358652770.db2.gz MBTIKOZIVUQAAG-DTWKUNHWSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559745 358692481 /nfs/dbraw/zinc/69/24/81/358692481.db2.gz IIIOAMZUOLOLBP-BDAKNGLRSA-N 2 0 201.314 0.180 20 0 BCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000131759840 358692809 /nfs/dbraw/zinc/69/28/09/358692809.db2.gz MDDLJZNTUSYXTG-NEPJUHHUSA-N 2 0 233.315 0.116 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C1([NH3+])CCCC1 ZINC000049559763 358694984 /nfs/dbraw/zinc/69/49/84/358694984.db2.gz BXXOFYRMMGIESI-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C1CC[NH2+]CC1 ZINC000049559640 358695167 /nfs/dbraw/zinc/69/51/67/358695167.db2.gz FWFNOQGZLJKWNL-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000049559643 358695422 /nfs/dbraw/zinc/69/54/22/358695422.db2.gz WRWNVRNSRAFWKE-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)C[C@H](C)[NH2+]1 ZINC000131854784 358697763 /nfs/dbraw/zinc/69/77/63/358697763.db2.gz DKSUIFOQNQQCGZ-PHIMTYICSA-N 2 0 247.342 0.968 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000131959428 358701347 /nfs/dbraw/zinc/70/13/47/358701347.db2.gz GNOQQCOKEDJYGM-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)C ZINC000176389653 134291177 /nfs/dbraw/zinc/29/11/77/134291177.db2.gz UCIJJWFGPMDNHK-UHFFFAOYSA-N 2 0 215.341 0.347 20 0 BCADRP CCC[C@H](C)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000049954048 358708060 /nfs/dbraw/zinc/70/80/60/358708060.db2.gz VHSUGIUGSHELMP-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP CCC[C@@H](C)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000049954047 358708108 /nfs/dbraw/zinc/70/81/08/358708108.db2.gz VHSUGIUGSHELMP-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP COC[C@@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000050120200 358716879 /nfs/dbraw/zinc/71/68/79/358716879.db2.gz NYTBWTGFXRODNW-STQMWFEESA-N 2 0 244.379 0.800 20 0 BCADRP CNC(=O)CCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000132971535 358741262 /nfs/dbraw/zinc/74/12/62/358741262.db2.gz IBTPNMIELGOKPP-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP O[C@@H](C[NH2+]C1CCSCC1)C[NH+]1CCCC1 ZINC000136222205 358868551 /nfs/dbraw/zinc/86/85/51/358868551.db2.gz BEMRUSUAHVILRY-LBPRGKRZSA-N 2 0 244.404 0.928 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136205766 358868793 /nfs/dbraw/zinc/86/87/93/358868793.db2.gz CWSDBBCHQQOKJH-DGCLKSJQSA-N 2 0 241.379 0.975 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)C1C[NH2+]C1 ZINC000564082937 358848933 /nfs/dbraw/zinc/84/89/33/358848933.db2.gz CARFPXSNEMJTMJ-ZYHUDNBSSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)[NH+]1CCC([NH2+][C@H](C)CC(N)=O)CC1 ZINC000135808033 358852478 /nfs/dbraw/zinc/85/24/78/358852478.db2.gz SRHBTZDBOSPAGP-SNVBAGLBSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC(C)(C)[NH3+] ZINC000578321215 366509753 /nfs/dbraw/zinc/50/97/53/366509753.db2.gz ZIBGLLQZVMHXHZ-SFYZADRCSA-N 2 0 216.329 0.149 20 0 BCADRP Cn1nccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086404177 358968093 /nfs/dbraw/zinc/96/80/93/358968093.db2.gz HBOWSMFKSZRINB-NXEZZACHSA-N 2 0 208.309 0.780 20 0 BCADRP Cn1nccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086404175 358968328 /nfs/dbraw/zinc/96/83/28/358968328.db2.gz HBOWSMFKSZRINB-UWVGGRQHSA-N 2 0 208.309 0.780 20 0 BCADRP C1=C(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)COCC1 ZINC000308844250 491138820 /nfs/dbraw/zinc/13/88/20/491138820.db2.gz ONKWNUCAGPGLCX-RYUDHWBXSA-N 2 0 208.305 0.484 20 0 BCADRP CCOC[C@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247009352 359183031 /nfs/dbraw/zinc/18/30/31/359183031.db2.gz QHQGYKRQQMCZLD-QWHCGFSZSA-N 2 0 244.379 0.657 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CCC(=O)N(C)C)[C@@H](C)C1 ZINC000247161598 359197528 /nfs/dbraw/zinc/19/75/28/359197528.db2.gz XUDWYTXXJQBJFB-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)OC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252205349 359310860 /nfs/dbraw/zinc/31/08/60/359310860.db2.gz XBRAAYKMEQSXBP-FRRDWIJNSA-N 2 0 244.379 0.845 20 0 BCADRP C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCCC[NH2+]1 ZINC000423422014 192750691 /nfs/dbraw/zinc/75/06/91/192750691.db2.gz CGMKALKMMDBKSM-ZIQFBCGOSA-N 2 0 209.337 0.324 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H](C)CC[NH3+])[C@@H](C)[NH3+] ZINC000423531046 192804381 /nfs/dbraw/zinc/80/43/81/192804381.db2.gz QAJCMRGIQHFTFP-BBBLOLIVSA-N 2 0 215.341 0.459 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000574987671 359523057 /nfs/dbraw/zinc/52/30/57/359523057.db2.gz JSOLXCNKYBLZPS-GXSJLCMTSA-N 2 0 227.352 0.476 20 0 BCADRP CCC[C@@H](C(=O)NC[C@H](C)[NH2+]C)[NH+](C)C ZINC000423625428 192818378 /nfs/dbraw/zinc/81/83/78/192818378.db2.gz FPWBQVCSXYTWIU-UWVGGRQHSA-N 2 0 215.341 0.441 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)[C@H](C)[NH3+] ZINC000423639741 192819065 /nfs/dbraw/zinc/81/90/65/192819065.db2.gz FSMBXLJGOFGLAK-NAKRPEOUSA-N 2 0 227.352 0.554 20 0 BCADRP C[C@H]1CCN(C(=O)CC2(C[NH3+])CC2)[C@H](C[NH3+])C1 ZINC000423671454 192821722 /nfs/dbraw/zinc/82/17/22/192821722.db2.gz WQBJSSUVDKOJSB-QWRGUYRKSA-N 2 0 239.363 0.701 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H](C)[C@@H](C)[NH3+])[C@H](C)[NH3+] ZINC000423684150 192823129 /nfs/dbraw/zinc/82/31/29/192823129.db2.gz QXDCWMLKSCRJQX-RGOKHQFPSA-N 2 0 215.341 0.458 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC000580442497 359551309 /nfs/dbraw/zinc/55/13/09/359551309.db2.gz CVOTVTWXXWHEGZ-QWRGUYRKSA-N 2 0 244.383 0.705 20 0 BCADRP CC(C)[C@@H](C(=O)NCC[C@H]1CCC[NH2+]1)[C@H](C)[NH3+] ZINC000423584922 192816387 /nfs/dbraw/zinc/81/63/87/192816387.db2.gz SMNZFEYEMMCXHR-QJPTWQEYSA-N 2 0 241.379 0.864 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1C[C@@H]([NH3+])C1)C(C)C ZINC000574992091 359531465 /nfs/dbraw/zinc/53/14/65/359531465.db2.gz WPYSLKIUEMRCKF-PHIMTYICSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000423615187 192818317 /nfs/dbraw/zinc/81/83/17/192818317.db2.gz YCUBPABVMKVLJI-MXWKQRLJSA-N 2 0 229.368 0.720 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000578356039 366537355 /nfs/dbraw/zinc/53/73/55/366537355.db2.gz REIYXMVCJDZYIS-HBNTYKKESA-N 2 0 225.336 0.100 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC000578378641 366545948 /nfs/dbraw/zinc/54/59/48/366545948.db2.gz LAPOBECZVPJJEJ-VIFPVBQESA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000578426119 366565318 /nfs/dbraw/zinc/56/53/18/366565318.db2.gz PZIWTQXBBZWHRV-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP C1[NH2+]CC1N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000578497281 366580645 /nfs/dbraw/zinc/58/06/45/366580645.db2.gz QSFVPUVYKDLUJJ-YNEHKIRRSA-N 2 0 223.364 0.859 20 0 BCADRP CC[NH2+]CCCNC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000578505558 366581504 /nfs/dbraw/zinc/58/15/04/366581504.db2.gz OSROXJXDTFVJKA-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000087471651 366581636 /nfs/dbraw/zinc/58/16/36/366581636.db2.gz ZLVUYWTWISYAFJ-SNVBAGLBSA-N 2 0 245.392 0.149 20 0 BCADRP COC[C@H](CCO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000223978729 491145367 /nfs/dbraw/zinc/14/53/67/491145367.db2.gz PPPALGJAXZJUFW-AAEUAGOBSA-N 2 0 244.379 0.704 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000578669032 366624624 /nfs/dbraw/zinc/62/46/24/366624624.db2.gz YMRVPPQQXDWITM-UTUOFQBUSA-N 2 0 227.352 0.224 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1([NH3+])CC1 ZINC000088129660 359937275 /nfs/dbraw/zinc/93/72/75/359937275.db2.gz JDSBOQXMMBFZGB-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000088131016 359938747 /nfs/dbraw/zinc/93/87/47/359938747.db2.gz NELRYFMFYDYWFP-NSHDSACASA-N 2 0 237.347 0.565 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]([NH2+]C2CC2)C1)[C@H](C)[NH3+] ZINC000578894268 366669569 /nfs/dbraw/zinc/66/95/69/366669569.db2.gz QGHDKDNMQJQYBT-WCABBAIRSA-N 2 0 225.336 0.323 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000089147818 359993796 /nfs/dbraw/zinc/99/37/96/359993796.db2.gz VOUBHNFOBQZXSQ-OLZOCXBDSA-N 2 0 241.379 0.426 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000612872861 360149207 /nfs/dbraw/zinc/14/92/07/360149207.db2.gz WOLRWFKMHJOFGE-ZYHUDNBSSA-N 2 0 240.351 0.132 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000092136968 360153566 /nfs/dbraw/zinc/15/35/66/360153566.db2.gz YRCCNJCLAISKJL-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000092134858 360153839 /nfs/dbraw/zinc/15/38/39/360153839.db2.gz GMQFHGIIXCPBJJ-GFCCVEGCSA-N 2 0 243.395 0.888 20 0 BCADRP C[C@]1(NC(=O)NCCC2(C[NH3+])CC2)CC[NH2+]C1 ZINC000612929253 360197424 /nfs/dbraw/zinc/19/74/24/360197424.db2.gz CADZALAYZWSAHH-NSHDSACASA-N 2 0 240.351 0.167 20 0 BCADRP C[C@]1(NC(=O)NC2CCC([NH3+])CC2)CC[NH2+]C1 ZINC000612919470 360178972 /nfs/dbraw/zinc/17/89/72/360178972.db2.gz VHLUZGVAQWWZKX-CBINBANVSA-N 2 0 240.351 0.308 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612920322 360180865 /nfs/dbraw/zinc/18/08/65/360180865.db2.gz FOCAFEWQPPGJEO-CKYFFXLPSA-N 2 0 240.351 0.036 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612920324 360181776 /nfs/dbraw/zinc/18/17/76/360181776.db2.gz FOCAFEWQPPGJEO-JFGNBEQYSA-N 2 0 240.351 0.036 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)N[C@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000612922057 360182566 /nfs/dbraw/zinc/18/25/66/360182566.db2.gz ATOCZPNBYGVHEQ-JFGNBEQYSA-N 2 0 240.351 0.178 20 0 BCADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ncc[nH]1 ZINC000309384601 491147771 /nfs/dbraw/zinc/14/77/71/491147771.db2.gz DUTDHXXAGDGMDP-SNVBAGLBSA-N 2 0 226.324 0.639 20 0 BCADRP C[C@]1(NC(=O)NCC[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000612914571 360188980 /nfs/dbraw/zinc/18/89/80/360188980.db2.gz MJWABEASXDONGO-JQWIXIFHSA-N 2 0 240.351 0.037 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612992881 360248139 /nfs/dbraw/zinc/24/81/39/360248139.db2.gz KJLWZZIHJRNJGH-ZJUUUORDSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612992294 360248186 /nfs/dbraw/zinc/24/81/86/360248186.db2.gz BZEAUKBTBBKERD-ZJUUUORDSA-N 2 0 240.351 0.023 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612995826 360249067 /nfs/dbraw/zinc/24/90/67/360249067.db2.gz ZWJUOIIPZYCPGL-JTQLQIEISA-N 2 0 240.351 0.037 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612995168 360249083 /nfs/dbraw/zinc/24/90/83/360249083.db2.gz WQRHFHKQINWZRI-UWVGGRQHSA-N 2 0 240.351 0.165 20 0 BCADRP [NH3+]CCC[C@@H](NC(=O)C[NH3+])c1ccccc1 ZINC000514864260 360416549 /nfs/dbraw/zinc/41/65/49/360416549.db2.gz ZVPSSUADLKLIBF-LLVKDONJSA-N 2 0 221.304 0.542 20 0 BCADRP CCN(CC[NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000626950556 360529698 /nfs/dbraw/zinc/52/96/98/360529698.db2.gz URXUARBYGQDBQG-SNVBAGLBSA-N 2 0 228.340 0.071 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCC1([NH3+])CCC1 ZINC000449383129 200670901 /nfs/dbraw/zinc/67/09/01/200670901.db2.gz FGDSNVKJEWEARX-WDEREUQCSA-N 2 0 239.363 0.892 20 0 BCADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000037001226 200685732 /nfs/dbraw/zinc/68/57/32/200685732.db2.gz RWVLYNZETWRGPN-NEPJUHHUSA-N 2 0 241.379 0.831 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000449749761 200700631 /nfs/dbraw/zinc/70/06/31/200700631.db2.gz GYEUQRRATCVDLV-MXWKQRLJSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N(C)C1(C[NH3+])CCC1 ZINC000449687229 200698685 /nfs/dbraw/zinc/69/86/85/200698685.db2.gz OMLDIEMQKILYNW-SNVBAGLBSA-N 2 0 227.352 0.557 20 0 BCADRP COCC[NH+]1CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414684394 200760414 /nfs/dbraw/zinc/76/04/14/200760414.db2.gz VKPKYKZYJGXMPV-ZDUSSCGKSA-N 2 0 243.395 0.624 20 0 BCADRP CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155822679 360925930 /nfs/dbraw/zinc/92/59/30/360925930.db2.gz NTRFOANFQOITMM-IJLUTSLNSA-N 2 0 212.337 0.974 20 0 BCADRP CC(C)C[C@H]([NH3+])CNC[C@H]1CCC[NH2+]C1 ZINC000414853968 200770721 /nfs/dbraw/zinc/77/07/21/200770721.db2.gz LQFJPZVNTOOSKZ-RYUDHWBXSA-N 2 0 213.369 0.949 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418355909 200837766 /nfs/dbraw/zinc/83/77/66/200837766.db2.gz BSTZYHMRJMNNQU-WDEREUQCSA-N 2 0 242.367 0.411 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418355907 200837821 /nfs/dbraw/zinc/83/78/21/200837821.db2.gz BSTZYHMRJMNNQU-MNOVXSKESA-N 2 0 242.367 0.411 20 0 BCADRP [NH3+]C1(C[NH2+][C@H]2CCCSC2)CCOCC1 ZINC000629388217 361040259 /nfs/dbraw/zinc/04/02/59/361040259.db2.gz OTUVBASBGJELPS-JTQLQIEISA-N 2 0 230.377 0.980 20 0 BCADRP CC[NH+]1CCC([NH2+]CCOCC[NH2+]C)CC1 ZINC000629392653 361042387 /nfs/dbraw/zinc/04/23/87/361042387.db2.gz RINOZKTYUYBKQE-UHFFFAOYSA-N 3 0 229.368 0.296 20 0 BCADRP Cc1nn(C)c(C)c1C[NH2+]CCOCCC[NH3+] ZINC000629398479 361048598 /nfs/dbraw/zinc/04/85/98/361048598.db2.gz UHMSDNPWDFJDKJ-UHFFFAOYSA-N 2 0 240.351 0.492 20 0 BCADRP [NH3+]CCCOCC[NH2+]Cc1cccnc1 ZINC000629398712 361049111 /nfs/dbraw/zinc/04/91/11/361049111.db2.gz XRIDHDPCBMGISH-UHFFFAOYSA-N 2 0 209.293 0.537 20 0 BCADRP C[C@H]1OCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629399163 361049445 /nfs/dbraw/zinc/04/94/45/361049445.db2.gz NDFWUKSKLZAJMI-ZJUUUORDSA-N 2 0 202.298 0.119 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCOCCC[NH3+])CCO1 ZINC000629399616 361050784 /nfs/dbraw/zinc/05/07/84/361050784.db2.gz IQEZYRRKYDSROF-WDEREUQCSA-N 2 0 216.325 0.509 20 0 BCADRP COC1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629399761 361050869 /nfs/dbraw/zinc/05/08/69/361050869.db2.gz VYDQGBBKRDFAJA-UHFFFAOYSA-N 2 0 230.352 0.899 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCOC2CCOCC2)C1 ZINC000629519619 361119058 /nfs/dbraw/zinc/11/90/58/361119058.db2.gz DVLDIWJCWKBQBC-NWDGAFQWSA-N 2 0 242.363 0.851 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000629527922 361135694 /nfs/dbraw/zinc/13/56/94/361135694.db2.gz JNKBGCZGZOKXHJ-NNYUYHANSA-N 2 0 211.353 0.715 20 0 BCADRP CC[C@H](COC)[NH2+]CCOCC[NH2+]C ZINC000629529189 361138337 /nfs/dbraw/zinc/13/83/37/361138337.db2.gz UUDQLELWONXCMF-SNVBAGLBSA-N 2 0 204.314 0.237 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cnn(C)c1 ZINC000629529176 361138531 /nfs/dbraw/zinc/13/85/31/361138531.db2.gz UOMIJQZTMYPPRX-SNVBAGLBSA-N 2 0 226.324 0.307 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000629530498 361144705 /nfs/dbraw/zinc/14/47/05/361144705.db2.gz IGCSLIBUSQUQIS-QWRGUYRKSA-N 2 0 216.325 0.237 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000629530787 361145616 /nfs/dbraw/zinc/14/56/16/361145616.db2.gz REGLCAKIWIZEQM-VXGBXAGGSA-N 2 0 230.352 0.770 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000629531034 361145863 /nfs/dbraw/zinc/14/58/63/361145863.db2.gz YCPWCCFZRMKUFI-MNOVXSKESA-N 2 0 238.335 0.715 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000629531422 361149119 /nfs/dbraw/zinc/14/91/19/361149119.db2.gz KRUOTCANAVXHEP-NWDGAFQWSA-N 3 0 229.368 0.200 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1COCCN1C ZINC000629532657 361154252 /nfs/dbraw/zinc/15/42/52/361154252.db2.gz LFAFHZZEFINATA-FRRDWIJNSA-N 2 0 241.379 0.295 20 0 BCADRP CN1CCOC[C@@H]1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000629532674 361154475 /nfs/dbraw/zinc/15/44/75/361154475.db2.gz LOQLGFJSVPKXGX-WOPDTQHZSA-N 2 0 227.352 0.177 20 0 BCADRP CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000629532672 361154488 /nfs/dbraw/zinc/15/44/88/361154488.db2.gz LOQLGFJSVPKXGX-TUAOUCFPSA-N 2 0 227.352 0.177 20 0 BCADRP CN1CCOC[C@@H]1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000629532921 361155336 /nfs/dbraw/zinc/15/53/36/361155336.db2.gz YIUYIPLDAGUKBQ-XQQFMLRXSA-N 2 0 241.379 0.567 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000629524211 361123578 /nfs/dbraw/zinc/12/35/78/361123578.db2.gz NVSWEPLSVASOCC-HGCLJGPKSA-N 2 0 237.347 0.228 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000629523396 361124817 /nfs/dbraw/zinc/12/48/17/361124817.db2.gz DUEFXVLWASTMMU-ZYUZMQFOSA-N 2 0 211.309 0.110 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629525015 361125976 /nfs/dbraw/zinc/12/59/76/361125976.db2.gz XPOZDAZSUXDYOZ-OPRDCNLKSA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)([NH3+])CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424472709 200929007 /nfs/dbraw/zinc/92/90/07/200929007.db2.gz FRGFLLWKEZAMOW-RKDXNWHRSA-N 2 0 228.340 0.293 20 0 BCADRP C[C@H](O)CC[N@H+](C)CC1CC[NH2+]CC1 ZINC000158588905 361205478 /nfs/dbraw/zinc/20/54/78/361205478.db2.gz ZZOACBUQTAJTEL-JTQLQIEISA-N 2 0 200.326 0.689 20 0 BCADRP C[NH2+]C1(CNC(=O)[C@@H](C)[NH+](C)C)CCC1 ZINC000640380082 361190373 /nfs/dbraw/zinc/19/03/73/361190373.db2.gz WIKNIQCVUGNARW-SECBINFHSA-N 2 0 213.325 0.195 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CCCC1 ZINC000375940831 181324953 /nfs/dbraw/zinc/32/49/53/181324953.db2.gz IGHIOLGIAYTSJV-MNOVXSKESA-N 2 0 237.347 0.468 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424482138 200928342 /nfs/dbraw/zinc/92/83/42/200928342.db2.gz SXUDRIGYELNIMV-NXEZZACHSA-N 2 0 228.340 0.165 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634269477 361165474 /nfs/dbraw/zinc/16/54/74/361165474.db2.gz HPPBCRFPJUNWOL-GHMZBOCLSA-N 2 0 240.351 0.261 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)c1ccccc1CC[NH3+] ZINC000578997779 366690005 /nfs/dbraw/zinc/69/00/05/366690005.db2.gz VUMVLKLFQQSJOE-JTQLQIEISA-N 2 0 235.331 0.655 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000579006073 366694068 /nfs/dbraw/zinc/69/40/68/366694068.db2.gz DQWSZGFKYSHHRH-AAEUAGOBSA-N 2 0 249.358 0.973 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000579098275 366708754 /nfs/dbraw/zinc/70/87/54/366708754.db2.gz QHKMCPCCIAWCOX-SNVBAGLBSA-N 2 0 228.340 0.037 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000579111411 366713164 /nfs/dbraw/zinc/71/31/64/366713164.db2.gz GJEBLZLFZXNRDB-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1CN(C(=O)CC2(C[NH3+])CC2)CC[C@H]1[NH3+] ZINC000579120760 366716281 /nfs/dbraw/zinc/71/62/81/366716281.db2.gz PFADYEYCZWGWOH-VHSXEESVSA-N 2 0 225.336 0.311 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000579124158 366718181 /nfs/dbraw/zinc/71/81/81/366718181.db2.gz COQYCOJMWBHJKO-CYBMUJFWSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CCC[NH2+]CC2)CCCCC1 ZINC000376990545 181327836 /nfs/dbraw/zinc/32/78/36/181327836.db2.gz JEUVRJSNXGJTNL-NSHDSACASA-N 2 0 239.363 0.906 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCCC1 ZINC000044726843 181327857 /nfs/dbraw/zinc/32/78/57/181327857.db2.gz NPWJVJBQXIVNHV-SNVBAGLBSA-N 2 0 237.347 0.611 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]C)C1)[NH+](CC)CC ZINC000428448340 201018523 /nfs/dbraw/zinc/01/85/23/201018523.db2.gz POWHPISUJQYZGR-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]([NH3+])C1CCC1 ZINC000579228977 366739191 /nfs/dbraw/zinc/73/91/91/366739191.db2.gz UBZFMZNGVFACLK-WCABBAIRSA-N 2 0 225.336 0.310 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000579229569 366739962 /nfs/dbraw/zinc/73/99/62/366739962.db2.gz JBELVLOMCLUJIE-GARJFASQSA-N 2 0 227.352 0.713 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC[C@H](C[NH3+])C1)[NH+](C)C ZINC000428631440 201031192 /nfs/dbraw/zinc/03/11/92/201031192.db2.gz QLMXRYHOVWKSOV-VXGBXAGGSA-N 2 0 241.379 0.770 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000428950103 201051865 /nfs/dbraw/zinc/05/18/65/201051865.db2.gz DDVVLYLHULQPSB-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000428954362 201052606 /nfs/dbraw/zinc/05/26/06/201052606.db2.gz IIEKNKOSGXTBCU-NEPJUHHUSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000428981509 201054706 /nfs/dbraw/zinc/05/47/06/201054706.db2.gz QQONYHHDGJDOCX-WOPDTQHZSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H](CNC(=O)[C@H]([NH3+])C(C)(C)C)[NH+](C)C ZINC000162624770 361358649 /nfs/dbraw/zinc/35/86/49/361358649.db2.gz METUBBRXATXZKJ-IUCAKERBSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C1CC[NH+](C)CC1 ZINC000429043751 201063221 /nfs/dbraw/zinc/06/32/21/201063221.db2.gz BKWQETNBPAGKFM-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H](C(=O)NC[C@H]1CCC[NH2+]1)[NH+](CC)CC ZINC000429082176 201065679 /nfs/dbraw/zinc/06/56/79/201065679.db2.gz RHJBSFSLCIBXBM-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000429069031 201065926 /nfs/dbraw/zinc/06/59/26/201065926.db2.gz OURVRJBHQNGTKW-UTUOFQBUSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@H]([NH3+])C1)[NH+](CC)CC ZINC000429066477 201066322 /nfs/dbraw/zinc/06/63/22/201066322.db2.gz UMVOBXWRSIQFIK-QWRGUYRKSA-N 2 0 227.352 0.666 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000237832208 181330437 /nfs/dbraw/zinc/33/04/37/181330437.db2.gz SGBBHDJASLKXKC-JTQLQIEISA-N 2 0 225.336 0.516 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000429104438 201068117 /nfs/dbraw/zinc/06/81/17/201068117.db2.gz OULCBUMIQJMFGQ-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[C@H]1CCCN(C(=O)C[NH2+]CC2CC2)[C@@H]1C[NH3+] ZINC000429160285 201075696 /nfs/dbraw/zinc/07/56/96/201075696.db2.gz SAROZNYYVWVBIK-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CCC[C@H]1C[NH3+])[NH+](C)C ZINC000429173772 201077227 /nfs/dbraw/zinc/07/72/27/201077227.db2.gz BVHONIOSPQITJS-SRVKXCTJSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[NH+](C)C ZINC000429162729 201077252 /nfs/dbraw/zinc/07/72/52/201077252.db2.gz YPLNIDAUQULIJF-UTUOFQBUSA-N 2 0 241.379 0.768 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH3+])C(C)C ZINC000429189009 201078850 /nfs/dbraw/zinc/07/88/50/201078850.db2.gz ATRJMORIIAZFKA-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC000429230873 201080452 /nfs/dbraw/zinc/08/04/52/201080452.db2.gz YMHDALBSVVSZGR-SNVBAGLBSA-N 2 0 227.352 0.300 20 0 BCADRP [NH3+]C1(CNC(=O)[C@]2(F)CC[NH2+]C2)CCCCC1 ZINC000363762839 181331443 /nfs/dbraw/zinc/33/14/43/181331443.db2.gz WYDWDTUCVPYDJV-LBPRGKRZSA-N 2 0 243.326 0.466 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000579332966 366761258 /nfs/dbraw/zinc/76/12/58/366761258.db2.gz IQYNLMYBZORWMS-MNOVXSKESA-N 2 0 227.352 0.583 20 0 BCADRP O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1CC[NH2+]1 ZINC000579350093 366765256 /nfs/dbraw/zinc/76/52/56/366765256.db2.gz ALVJVUBJGJMABZ-GFCCVEGCSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]1CC[C@H](N[C@H]2C[NH2+]CC[C@@H]2C)C[NH2+]1 ZINC000629536150 361398744 /nfs/dbraw/zinc/39/87/44/361398744.db2.gz DWUZHMIKIUKVMY-USZNOCQGSA-N 2 0 211.353 0.715 20 0 BCADRP CC(C)[C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)[C@H](C)[NH3+] ZINC000579351417 366765585 /nfs/dbraw/zinc/76/55/85/366765585.db2.gz MZSUIXNBTZOBHP-SRVKXCTJSA-N 2 0 241.379 0.722 20 0 BCADRP CC(C)[C@H](C(=O)NCC[C@H]1CC[NH2+]C1)[C@@H](C)[NH3+] ZINC000579351419 366765705 /nfs/dbraw/zinc/76/57/05/366765705.db2.gz MZSUIXNBTZOBHP-UTUOFQBUSA-N 2 0 241.379 0.722 20 0 BCADRP CC(C)[C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)[C@@H](C)[NH3+] ZINC000579351420 366766066 /nfs/dbraw/zinc/76/60/66/366766066.db2.gz MZSUIXNBTZOBHP-WOPDTQHZSA-N 2 0 241.379 0.722 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629537115 361399431 /nfs/dbraw/zinc/39/94/31/361399431.db2.gz IDZZQGGDDTUFES-JHJVBQTASA-N 3 0 241.379 0.330 20 0 BCADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cnccn1 ZINC000629536607 361399977 /nfs/dbraw/zinc/39/99/77/361399977.db2.gz HAVAKSLYCILEDW-SNVBAGLBSA-N 2 0 224.308 0.493 20 0 BCADRP C[C@@H]([NH2+]CCOCCC[NH3+])[C@@H]1C[C@H]1C ZINC000629536837 361400031 /nfs/dbraw/zinc/40/00/31/361400031.db2.gz JHFKLWNVIMVNPG-GMTAPVOTSA-N 2 0 200.326 0.986 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)[C@H](C)[NH2+]C)CC1 ZINC000579372642 366772487 /nfs/dbraw/zinc/77/24/87/366772487.db2.gz ITXXUCAGSNRFKI-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccncn1 ZINC000629537199 361401408 /nfs/dbraw/zinc/40/14/08/361401408.db2.gz IMPXOEMOCDQZFB-JTQLQIEISA-N 2 0 224.308 0.493 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000429335029 201101089 /nfs/dbraw/zinc/10/10/89/201101089.db2.gz NTZVMZSLBVTCPC-UTUOFQBUSA-N 2 0 239.363 0.680 20 0 BCADRP CNC(=O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429539407 201113128 /nfs/dbraw/zinc/11/31/28/201113128.db2.gz KXRWZXFFUKDPCN-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP CC[C@@H](C(=O)N[C@@H](C[NH3+])C1CC1)[NH+](CC)CC ZINC000429557922 201116467 /nfs/dbraw/zinc/11/64/67/201116467.db2.gz DDPUOSSTCVVWFV-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C1(C[NH3+])CCCC1)C1CC1 ZINC000429580205 201119617 /nfs/dbraw/zinc/11/96/17/201119617.db2.gz OKYDSYHJSGJBHD-SNVBAGLBSA-N 2 0 225.336 0.359 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])[C@H](C)O1 ZINC000629540009 361413917 /nfs/dbraw/zinc/41/39/17/361413917.db2.gz RTEUXINAUAISBK-OUAUKWLOSA-N 2 0 216.325 0.507 20 0 BCADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccn(C)n1 ZINC000629540421 361413956 /nfs/dbraw/zinc/41/39/56/361413956.db2.gz ULIRLUMMUKIVRR-JTQLQIEISA-N 2 0 226.324 0.436 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC(C)(C)[NH3+] ZINC000429651247 201124968 /nfs/dbraw/zinc/12/49/68/201124968.db2.gz RTQDMXIFEDQIMM-AOOOYVTPSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000429657899 201125044 /nfs/dbraw/zinc/12/50/44/201125044.db2.gz NCHPYLDGSDTYQC-GRYCIOLGSA-N 2 0 239.363 0.809 20 0 BCADRP CC[C@@H](NCCOCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000629540592 361414266 /nfs/dbraw/zinc/41/42/66/361414266.db2.gz VDXPFEZJUDFFHK-NEPJUHHUSA-N 2 0 229.368 0.472 20 0 BCADRP C[C@@H]1CC[C@@H](N[C@@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC000629540360 361414489 /nfs/dbraw/zinc/41/44/89/361414489.db2.gz OXIHBIAWTNRNRO-IJLUTSLNSA-N 2 0 211.353 0.859 20 0 BCADRP CC1(CNC(=O)C[C@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000181284718 366801503 /nfs/dbraw/zinc/80/15/03/366801503.db2.gz FFLGOVFUEXLPPO-LLVKDONJSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)[C@H](C)[NH3+] ZINC000249067642 325635702 /nfs/dbraw/zinc/63/57/02/325635702.db2.gz PYGOKIUZZHUHMW-VPOLOUISSA-N 2 0 227.352 0.556 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCOCCC[NH3+])[C@@H]1C ZINC000629534840 361408255 /nfs/dbraw/zinc/40/82/55/361408255.db2.gz AXJAFPQFJINDHW-MXWKQRLJSA-N 2 0 200.326 0.986 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])[C@H]1C ZINC000629534844 361408790 /nfs/dbraw/zinc/40/87/90/361408790.db2.gz AXJAFPQFJINDHW-OUAUKWLOSA-N 2 0 200.326 0.986 20 0 BCADRP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535389 361409603 /nfs/dbraw/zinc/40/96/03/361409603.db2.gz CENWEXBLFQADPQ-FVCCEPFGSA-N 2 0 241.379 0.484 20 0 BCADRP C[C@@H](C[C@@H]1COCC[NH2+]1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535406 361409853 /nfs/dbraw/zinc/40/98/53/361409853.db2.gz CENWEXBLFQADPQ-MROQNXINSA-N 2 0 241.379 0.484 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629535603 361409936 /nfs/dbraw/zinc/40/99/36/361409936.db2.gz DVFUGTWILKADHD-VHSXEESVSA-N 2 0 204.314 0.365 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000429552118 201113827 /nfs/dbraw/zinc/11/38/27/201113827.db2.gz IALWHJAWVRJFPM-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP CC[N@@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000629546432 361427194 /nfs/dbraw/zinc/42/71/94/361427194.db2.gz WWNDESOMUPWAEZ-QJPTWQEYSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629546195 361428115 /nfs/dbraw/zinc/42/81/15/361428115.db2.gz OXUHRYAHHXSKNE-YNEHKIRRSA-N 2 0 241.379 0.031 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000629547870 361431238 /nfs/dbraw/zinc/43/12/38/361431238.db2.gz VUGMAUISBZSJJB-WNYYMSAVSA-N 3 0 211.353 0.844 20 0 BCADRP CN1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000629548255 361433067 /nfs/dbraw/zinc/43/30/67/361433067.db2.gz DQVCAQJQDKLCRB-SRVKXCTJSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000629555810 361449331 /nfs/dbraw/zinc/44/93/31/361449331.db2.gz FWQNFABSMQBNFZ-JBLDHEPKSA-N 2 0 239.363 0.855 20 0 BCADRP C1C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[NH2+]1 ZINC000629553612 361438361 /nfs/dbraw/zinc/43/83/61/361438361.db2.gz BMVSODYCIXCVSY-DDHJBXDOSA-N 3 0 209.337 0.326 20 0 BCADRP C[C@@H](N[C@@H]1CC[NH2+]C1)c1c[nH+]ccc1N ZINC000629554299 361440178 /nfs/dbraw/zinc/44/01/78/361440178.db2.gz HNPLYHSDSHBZFM-RKDXNWHRSA-N 2 0 206.293 0.507 20 0 BCADRP C[C@H](N[C@@H]1CC[NH2+]C1)c1c[nH+]ccc1N ZINC000629554298 361440306 /nfs/dbraw/zinc/44/03/06/361440306.db2.gz HNPLYHSDSHBZFM-DTWKUNHWSA-N 2 0 206.293 0.507 20 0 BCADRP C1C[NH2+][C@H]([C@H]2CCC[C@@H]2N[C@@H]2CC[NH2+]C2)C1 ZINC000629554508 361442498 /nfs/dbraw/zinc/44/24/98/361442498.db2.gz JZEJVQJIZCEFJS-NDBYEHHHSA-N 2 0 223.364 0.859 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629556386 361449709 /nfs/dbraw/zinc/44/97/09/361449709.db2.gz OXUHRYAHHXSKNE-AGIUHOORSA-N 2 0 241.379 0.031 20 0 BCADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H]1CCC[N@@H+]1C ZINC000629551157 361444435 /nfs/dbraw/zinc/44/44/35/361444435.db2.gz RRVPKEYWBUVIMU-ZDEQEGDKSA-N 2 0 241.379 0.423 20 0 BCADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])C1 ZINC000629554663 361444594 /nfs/dbraw/zinc/44/45/94/361444594.db2.gz MPTWSHVVEIRPEV-KIJLLGNVSA-N 2 0 242.363 0.753 20 0 BCADRP CC[C@H]([NH2+]CCOCCC[NH3+])[C@H]1CCOC1 ZINC000629541898 361418479 /nfs/dbraw/zinc/41/84/79/361418479.db2.gz SUYRXTYXNSHZOF-RYUDHWBXSA-N 2 0 230.352 0.757 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CC1CCC1 ZINC000629570938 361460628 /nfs/dbraw/zinc/46/06/28/361460628.db2.gz HNGAOZKRUNGROV-UHFFFAOYSA-N 2 0 200.326 0.954 20 0 BCADRP C[N@H+](CCOCC[NH3+])CCOC[C@@H]1CCCO1 ZINC000629579338 361465566 /nfs/dbraw/zinc/46/55/66/361465566.db2.gz SDBFNNYESRGCMQ-LBPRGKRZSA-N 2 0 246.351 0.089 20 0 BCADRP C[C@@H](F)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629580152 361466377 /nfs/dbraw/zinc/46/63/77/361466377.db2.gz NNMHMDWPJXDHDB-GHMZBOCLSA-N 2 0 218.316 0.781 20 0 BCADRP FCC[C@H]1CN(C[C@H]2CC[NH2+]C2)CCO1 ZINC000629580752 361468769 /nfs/dbraw/zinc/46/87/69/361468769.db2.gz GNTFPRPWQIXEIR-QWRGUYRKSA-N 2 0 216.300 0.656 20 0 BCADRP O[C@H](C[NH2+]CCC1CC(O)C1)C[NH+]1CCCC1 ZINC000629584362 361469514 /nfs/dbraw/zinc/46/95/14/361469514.db2.gz PJPHGZNHLOKNGQ-WXRRBKDZSA-N 2 0 242.363 0.194 20 0 BCADRP C[N@H+](CC[C@H]1CC[NH2+]C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629581894 361472165 /nfs/dbraw/zinc/47/21/65/361472165.db2.gz JFQYUBMLYYQSEF-MXWKQRLJSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000433179523 201164502 /nfs/dbraw/zinc/16/45/02/201164502.db2.gz YJUYTPCDQPHQHX-OUAUKWLOSA-N 2 0 227.352 0.426 20 0 BCADRP C[NH2+]CCCN1CCCC[C@H]1CNC(C)=O ZINC000629595430 361482238 /nfs/dbraw/zinc/48/22/38/361482238.db2.gz PCBQRSZSDJZSIZ-LBPRGKRZSA-N 2 0 227.352 0.587 20 0 BCADRP CC(=O)NC[C@H]1CCCC[N@@H+]1CCC[NH3+] ZINC000629595184 361482399 /nfs/dbraw/zinc/48/23/99/361482399.db2.gz KTLVWJXKCSTSKZ-LLVKDONJSA-N 2 0 213.325 0.326 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000629593187 361484978 /nfs/dbraw/zinc/48/49/78/361484978.db2.gz HQRBVDUVWNBVEJ-MCIONIFRSA-N 3 0 237.391 0.917 20 0 BCADRP C[NH2+]CCCN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592400 361485071 /nfs/dbraw/zinc/48/50/71/361485071.db2.gz BUZZZHSCSDYVTR-TXEJJXNPSA-N 2 0 211.353 0.527 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]C)C1)[NH+](C)C ZINC000629612504 361498819 /nfs/dbraw/zinc/49/88/19/361498819.db2.gz DLXYAASQOFJODU-MNOVXSKESA-N 2 0 227.352 0.395 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000629612825 361499284 /nfs/dbraw/zinc/49/92/84/361499284.db2.gz IJWMXDOBISQJJF-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@@H](C(=O)NCC[C@H](C)[NH3+])[NH+](C)C ZINC000629613014 361501839 /nfs/dbraw/zinc/50/18/39/361501839.db2.gz HOXSCYWRVKUMHC-IUCAKERBSA-N 2 0 201.314 0.180 20 0 BCADRP CC[C@H](C(=O)NC[C@@H]([NH3+])C1CC1)[NH+](C)C ZINC000629612172 361501988 /nfs/dbraw/zinc/50/19/88/361501988.db2.gz WFYHEFWCSMRHSU-NXEZZACHSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@@H](C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)[NH+](C)C ZINC000629615364 361503272 /nfs/dbraw/zinc/50/32/72/361503272.db2.gz OJXVBRHRYZJQDH-MXWKQRLJSA-N 2 0 227.352 0.583 20 0 BCADRP CC[C@@H](C(=O)NC[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000629614993 361503286 /nfs/dbraw/zinc/50/32/86/361503286.db2.gz RDBYUVBZJQMECD-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@H](C(=O)NC[C@H]([NH3+])C(C)C)[NH+](C)C ZINC000629615621 361505277 /nfs/dbraw/zinc/50/52/77/361505277.db2.gz WODQBZVDCTZIOZ-VHSXEESVSA-N 2 0 215.341 0.426 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+](C)C ZINC000629613709 361508139 /nfs/dbraw/zinc/50/81/39/361508139.db2.gz SBUBXXXVNBRNHQ-BBBLOLIVSA-N 2 0 231.315 0.224 20 0 BCADRP CC[C@H](C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[NH+](C)C ZINC000629614428 361509185 /nfs/dbraw/zinc/50/91/85/361509185.db2.gz JPNGBVUOYNPKPM-GMTAPVOTSA-N 2 0 227.352 0.535 20 0 BCADRP CC[C@H](C(=O)NCCC[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000629614367 361509410 /nfs/dbraw/zinc/50/94/10/361509410.db2.gz HDDRQZYAROFELA-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@H](C(=O)NC[C@@H]([NH3+])CC)[NH+](C)C ZINC000629614378 361509894 /nfs/dbraw/zinc/50/98/94/361509894.db2.gz ZVXJZCVXXHQYRU-DTWKUNHWSA-N 2 0 201.314 0.180 20 0 BCADRP CC[C@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000629614361 361510002 /nfs/dbraw/zinc/51/00/02/361510002.db2.gz HDDRQZYAROFELA-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)(C)C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629654494 361558779 /nfs/dbraw/zinc/55/87/79/361558779.db2.gz YDVYMFMMTRTRFW-UHFFFAOYSA-N 2 0 224.308 0.777 20 0 BCADRP C[C@H](C[C@@H]1CCC[NH2+]1)NCC1([NH3+])CCOCC1 ZINC000629655717 361560336 /nfs/dbraw/zinc/56/03/36/361560336.db2.gz YCPHYMAFWJIJCN-NEPJUHHUSA-N 2 0 241.379 0.615 20 0 BCADRP COC1(C[NH2+]CCN2CC[NH2+]CC2)CCCC1 ZINC000629648312 361540364 /nfs/dbraw/zinc/54/03/64/361540364.db2.gz RZFQMIIVFVWREP-UHFFFAOYSA-N 2 0 241.379 0.440 20 0 BCADRP C[C@@H]([NH3+])CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000163731299 361563200 /nfs/dbraw/zinc/56/32/00/361563200.db2.gz BJIVHFDGWMCVEZ-VXGBXAGGSA-N 2 0 211.353 0.894 20 0 BCADRP C[C@@H]1CC[C@@H](NC[C@]2(C)CC[NH2+]C2)C[NH2+]1 ZINC000629659741 361564793 /nfs/dbraw/zinc/56/47/93/361564793.db2.gz GAJHHDYZNKVVMM-IJLUTSLNSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH2+]CC2)CN1 ZINC000629660312 361565249 /nfs/dbraw/zinc/56/52/49/361565249.db2.gz RJRRLUUTVOSUDB-PWSUYJOCSA-N 2 0 211.353 0.716 20 0 BCADRP CCO[C@@H]1C[N@H+](CC2=CCCOC2)C[C@H]1C[NH3+] ZINC000629649994 361546610 /nfs/dbraw/zinc/54/66/10/361546610.db2.gz NMPFRGSZSPVZGM-CHWSQXEVSA-N 2 0 240.347 0.629 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@@H](C)COC ZINC000629652655 361551187 /nfs/dbraw/zinc/55/11/87/361551187.db2.gz BDGSWYHDIAAGTL-LLVKDONJSA-N 2 0 218.341 0.437 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CC[C@H]1CCOC1 ZINC000629654379 361551405 /nfs/dbraw/zinc/55/14/05/361551405.db2.gz QAOPRYNAOMZYST-LBPRGKRZSA-N 2 0 230.352 0.581 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000629653186 361553405 /nfs/dbraw/zinc/55/34/05/361553405.db2.gz HSTSBYPFUDMAGI-STQMWFEESA-N 3 0 243.395 0.542 20 0 BCADRP C[N@H+](CCOCC[NH3+])Cc1cnc2ccccn12 ZINC000629662915 361595467 /nfs/dbraw/zinc/59/54/67/361595467.db2.gz IFYBJGCBANDJSM-UHFFFAOYSA-N 2 0 248.330 0.741 20 0 BCADRP C[N@H+](CCOCC[NH3+])Cc1cnc2cnccn12 ZINC000629664613 361595663 /nfs/dbraw/zinc/59/56/63/361595663.db2.gz OZRJPBPHGHJUOA-UHFFFAOYSA-N 2 0 249.318 0.136 20 0 BCADRP [NH3+]CCC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000629673747 361596615 /nfs/dbraw/zinc/59/66/15/361596615.db2.gz GWBMBIWNYSWFER-SNVBAGLBSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@H]1C[C@H](C[NH2+]CCOCCC[NH3+])CC[NH2+]1 ZINC000629677035 361599304 /nfs/dbraw/zinc/59/93/04/361599304.db2.gz AGAQLSBSCYZHDD-NWDGAFQWSA-N 3 0 229.368 0.330 20 0 BCADRP C[C@H]1C[C@@H](C[NH2+]CCOCCC[NH3+])CC[NH2+]1 ZINC000629677036 361599492 /nfs/dbraw/zinc/59/94/92/361599492.db2.gz AGAQLSBSCYZHDD-RYUDHWBXSA-N 3 0 229.368 0.330 20 0 BCADRP Cn1ccc(C[NH2+]CCOCCC[NH3+])c1 ZINC000629677931 361600600 /nfs/dbraw/zinc/60/06/00/361600600.db2.gz JAYRWSQIZSDEOP-UHFFFAOYSA-N 2 0 211.309 0.480 20 0 BCADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CCOCCC[NH3+] ZINC000629677874 361601065 /nfs/dbraw/zinc/60/10/65/361601065.db2.gz IKJDCLRDKKVMNP-NWDGAFQWSA-N 3 0 229.368 0.472 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)[NH2+]1 ZINC000153552536 201243382 /nfs/dbraw/zinc/24/33/82/201243382.db2.gz MKEBKIGZJIEGSW-KXNHARMFSA-N 2 0 239.363 0.713 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000153264389 201228041 /nfs/dbraw/zinc/22/80/41/201228041.db2.gz KQLNDRZXCIYYBS-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000435086681 201249737 /nfs/dbraw/zinc/24/97/37/201249737.db2.gz DAEGJXZGXVQMGT-WZRBSPASSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000434707046 201235871 /nfs/dbraw/zinc/23/58/71/201235871.db2.gz PFZXBEVXLLRBQO-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000434712116 201236050 /nfs/dbraw/zinc/23/60/50/201236050.db2.gz UEDDKRYXIAPOLE-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP C[NH+](C)C1CCN(CC[NH2+]C2CSC2)CC1 ZINC000309982200 491159379 /nfs/dbraw/zinc/15/93/79/491159379.db2.gz WQTINHHFMVVLEL-UHFFFAOYSA-N 2 0 243.420 0.717 20 0 BCADRP [NH3+]C1CCC([NH2+]Cc2csnn2)CC1 ZINC000051693995 181341865 /nfs/dbraw/zinc/34/18/65/181341865.db2.gz IMXOKJHEERMLOH-UHFFFAOYSA-N 2 0 212.322 0.898 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435234201 201256587 /nfs/dbraw/zinc/25/65/87/201256587.db2.gz FNOABCWBHTVEJR-MNOVXSKESA-N 2 0 225.336 0.467 20 0 BCADRP CC[NH+](CC)CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435239859 201256904 /nfs/dbraw/zinc/25/69/04/201256904.db2.gz LUFGSLKEPZFOOL-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH+](C)CCn1cc(C2=CC[NH2+]CC2)cn1 ZINC000629723306 361664645 /nfs/dbraw/zinc/66/46/45/361664645.db2.gz MGELTDZQHAONFJ-UHFFFAOYSA-N 2 0 220.320 0.821 20 0 BCADRP C[NH2+]CCC[NH+]1CCC(n2cncn2)CC1 ZINC000435872204 201291529 /nfs/dbraw/zinc/29/15/29/201291529.db2.gz XFOYZSIKPZBUHP-UHFFFAOYSA-N 2 0 223.324 0.525 20 0 BCADRP CCCC[C@@H](COC)[NH2+]C[C@@H](O)CN(C)C ZINC000154329836 201274720 /nfs/dbraw/zinc/27/47/20/201274720.db2.gz RCHXPAOHYUAZHN-NWDGAFQWSA-N 2 0 232.368 0.704 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435887644 201295972 /nfs/dbraw/zinc/29/59/72/201295972.db2.gz ILRNUQNNKWELPQ-NQBHXWOUSA-N 2 0 239.363 0.476 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000435902992 201296695 /nfs/dbraw/zinc/29/66/95/201296695.db2.gz PBKRYJASKHHNIM-NTZNESFSSA-N 2 0 237.347 0.196 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)NCCC[NH3+] ZINC000417616433 219912865 /nfs/dbraw/zinc/91/28/65/219912865.db2.gz ZCVFBQDZAUJBRU-UHFFFAOYSA-N 2 0 230.356 0.366 20 0 BCADRP C([C@H]1CCC[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000437790300 201374432 /nfs/dbraw/zinc/37/44/32/201374432.db2.gz USWRMRYJSYVVRG-RWMBFGLXSA-N 2 0 223.364 0.812 20 0 BCADRP [NH3+]CC(=O)N1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000364182650 181350867 /nfs/dbraw/zinc/35/08/67/181350867.db2.gz NKRBDNRILTUOIE-GHMZBOCLSA-N 2 0 237.278 0.038 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627244497 363847303 /nfs/dbraw/zinc/84/73/03/363847303.db2.gz ANRONRFFTQQWIJ-XWLWVQCSSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627251877 363877110 /nfs/dbraw/zinc/87/71/10/363877110.db2.gz DEVQCEBJERKYHJ-OUAUKWLOSA-N 2 0 240.351 0.117 20 0 BCADRP [NH3+]CC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000229010260 181352113 /nfs/dbraw/zinc/35/21/13/181352113.db2.gz VVBCLSLPABRXBX-UHFFFAOYSA-N 2 0 247.342 0.510 20 0 BCADRP [NH3+]CC(=O)NCCCCC[NH+]1CCCCC1 ZINC000237966624 181352144 /nfs/dbraw/zinc/35/21/44/181352144.db2.gz IQYDTZHUFLHPCU-UHFFFAOYSA-N 2 0 227.352 0.718 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)C1([NH+](C)C)CC1 ZINC000614839736 363989145 /nfs/dbraw/zinc/98/91/45/363989145.db2.gz SSBJZOVOAVVAKH-VIFPVBQESA-N 2 0 213.325 0.147 20 0 BCADRP [NH3+]CC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000309527626 181355751 /nfs/dbraw/zinc/35/57/51/181355751.db2.gz CSAGDBLHOXQJTM-UHFFFAOYSA-N 2 0 205.261 0.230 20 0 BCADRP C(NC1=[NH+]CCCN1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000630387715 364103454 /nfs/dbraw/zinc/10/34/54/364103454.db2.gz YZPXPVFJNRNVSZ-LBPRGKRZSA-N 2 0 236.363 0.942 20 0 BCADRP Cn1cncc1CC(=O)NC(C)(C)C[NH+](C)C ZINC000622098686 370706933 /nfs/dbraw/zinc/70/69/33/370706933.db2.gz NBKADEFVQRTYAX-UHFFFAOYSA-N 2 0 238.335 0.419 20 0 BCADRP NC(=O)c1c[nH+]ccc1N[C@@H]1CC[NH2+]C12CCC2 ZINC000630521905 364208428 /nfs/dbraw/zinc/20/84/28/364208428.db2.gz QBPQQHLBGRKMGY-LLVKDONJSA-N 2 0 246.314 0.299 20 0 BCADRP [NH3+]CC1(C(=O)NCC[NH+]2CCCC2)CCCC1 ZINC000054129019 181358616 /nfs/dbraw/zinc/35/86/16/181358616.db2.gz YBMCIEIPQRPWIK-UHFFFAOYSA-N 2 0 239.363 0.718 20 0 BCADRP [NH3+]CC1(CC(=O)N[C@@H]2CC[NH2+]C2)CCCCC1 ZINC000184131009 181358855 /nfs/dbraw/zinc/35/88/55/181358855.db2.gz WJRKOOVOCIPHDY-LLVKDONJSA-N 2 0 239.363 0.764 20 0 BCADRP [NH3+]CC1(CNCC2([NH3+])CCCCC2)CC1 ZINC000332157000 181359300 /nfs/dbraw/zinc/35/93/00/181359300.db2.gz PWXJMSZESCPVLQ-UHFFFAOYSA-N 2 0 211.353 0.977 20 0 BCADRP [NH3+]CC1(NC(=O)CC2CC[NH2+]CC2)CCCC1 ZINC000154354645 181360068 /nfs/dbraw/zinc/36/00/68/181360068.db2.gz SCKVVNROVUKPOT-UHFFFAOYSA-N 2 0 239.363 0.764 20 0 BCADRP C[NH2+][C@H](C)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630605179 364324436 /nfs/dbraw/zinc/32/44/36/364324436.db2.gz GJSRAEPQEYATRF-RKDXNWHRSA-N 2 0 209.297 0.311 20 0 BCADRP [NH3+]CC1(O)CC[NH+](Cc2ccccn2)CC1 ZINC000071523388 181362004 /nfs/dbraw/zinc/36/20/04/181362004.db2.gz YQNIJFPWUDJGTH-UHFFFAOYSA-N 2 0 221.304 0.367 20 0 BCADRP CC(C)(C[NH3+])Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000630592658 364298606 /nfs/dbraw/zinc/29/86/06/364298606.db2.gz VUFUDCISDIPFNO-JTQLQIEISA-N 2 0 237.351 0.415 20 0 BCADRP C[C@@H]1CC[C@@H](NC2CC[NH+](C)CC2)C[NH2+]1 ZINC000398975524 364401057 /nfs/dbraw/zinc/40/10/57/364401057.db2.gz YRAYLTOECQEJFM-ZYHUDNBSSA-N 2 0 211.353 0.811 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@H](C)[N@H+]1C ZINC000579512083 366841697 /nfs/dbraw/zinc/84/16/97/366841697.db2.gz OXBZWHVWEWNKMK-GRYCIOLGSA-N 2 0 239.363 0.489 20 0 BCADRP [NH3+]CC1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000336298305 181365060 /nfs/dbraw/zinc/36/50/60/181365060.db2.gz GMFKHLCPWONUSY-LBPRGKRZSA-N 2 0 237.347 0.420 20 0 BCADRP NC(=O)c1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000044513493 181365642 /nfs/dbraw/zinc/36/56/42/181365642.db2.gz WEURRWITSNUWGL-UHFFFAOYSA-N 2 0 247.342 0.956 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000140259123 364523290 /nfs/dbraw/zinc/52/32/90/364523290.db2.gz HXZAQEZNAXPUCA-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000373565230 181366752 /nfs/dbraw/zinc/36/67/52/181366752.db2.gz ZEPSVZVHHVLRPI-WDEREUQCSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373040993 181366439 /nfs/dbraw/zinc/36/64/39/181366439.db2.gz XONKECOYBBBCAI-GFCCVEGCSA-N 2 0 239.363 0.812 20 0 BCADRP [NH3+]CCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000037042442 181367268 /nfs/dbraw/zinc/36/72/68/181367268.db2.gz RIIXFWCWUVNOAE-UHFFFAOYSA-N 2 0 211.309 0.078 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C)[NH+](C)C ZINC000615314875 364688087 /nfs/dbraw/zinc/68/80/87/364688087.db2.gz QARFTAWPPWQJPS-IJLUTSLNSA-N 2 0 241.379 0.878 20 0 BCADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000615303207 364681353 /nfs/dbraw/zinc/68/13/53/364681353.db2.gz QVURRSMFHFYMSP-IJLUTSLNSA-N 2 0 239.363 0.489 20 0 BCADRP [NH3+]CCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000336463690 181369422 /nfs/dbraw/zinc/36/94/22/181369422.db2.gz YYTQXPGFDUBRAT-UHFFFAOYSA-N 2 0 219.288 0.620 20 0 BCADRP [NH3+]CCCC(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000372776503 181371146 /nfs/dbraw/zinc/37/11/46/181371146.db2.gz OEMRVTATIUHWEP-PWSUYJOCSA-N 2 0 225.336 0.455 20 0 BCADRP CC[NH2+]CCNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000418317512 219953849 /nfs/dbraw/zinc/95/38/49/219953849.db2.gz MWFUOIKEPVZRDY-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP [NH3+]CCCC(=O)N1CC[NH+]2CCC1CC2 ZINC000335461843 181371278 /nfs/dbraw/zinc/37/12/78/181371278.db2.gz CPBWMPLKRRJYKO-UHFFFAOYSA-N 2 0 211.309 0.032 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CC[NH2+]C1CC1 ZINC000573505722 364851429 /nfs/dbraw/zinc/85/14/29/364851429.db2.gz LRKACBWOQBBDQR-LBPRGKRZSA-N 2 0 241.379 0.960 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000573372217 364813774 /nfs/dbraw/zinc/81/37/74/364813774.db2.gz DYBNDGPJRLKHOA-KXUCPTDWSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+]CCCN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000573431499 364830732 /nfs/dbraw/zinc/83/07/32/364830732.db2.gz OSQUSBGTKSAVCV-VXGBXAGGSA-N 2 0 211.353 0.942 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000573445405 364835252 /nfs/dbraw/zinc/83/52/52/364835252.db2.gz VEIBTKZVHDWSEP-QWHCGFSZSA-N 3 0 225.380 0.917 20 0 BCADRP O=C([C@H]1CCCC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000573446126 364835453 /nfs/dbraw/zinc/83/54/53/364835453.db2.gz PLJOUUNFVCMIHV-IJLUTSLNSA-N 2 0 237.347 0.339 20 0 BCADRP Cc1ncc(CNCCC[NH+]2CCC2)n1C ZINC000573460570 364840751 /nfs/dbraw/zinc/84/07/51/364840751.db2.gz VVGJMECBOKJYSJ-UHFFFAOYSA-N 2 0 222.336 0.914 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000573562650 364862342 /nfs/dbraw/zinc/86/23/42/364862342.db2.gz AGTILRWZKHFUMX-ZDCRXTMVSA-N 2 0 225.336 0.310 20 0 BCADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cn[nH]c1 ZINC000685457019 487527904 /nfs/dbraw/zinc/52/79/04/487527904.db2.gz AEVYRYVPMYOCAR-UHFFFAOYSA-N 2 0 239.367 0.335 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C(=O)NC2CC[NH2+]CC2)C1 ZINC000573604778 364872190 /nfs/dbraw/zinc/87/21/90/364872190.db2.gz BNLLXQGTAVIOTC-VHSXEESVSA-N 2 0 225.336 0.372 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000573605485 364872563 /nfs/dbraw/zinc/87/25/63/364872563.db2.gz BPWQYSFDSHFMPR-QWRGUYRKSA-N 2 0 229.368 0.722 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000573608659 364874143 /nfs/dbraw/zinc/87/41/43/364874143.db2.gz ALOQFFWDCSWMLG-ZDUSSCGKSA-N 2 0 239.363 0.540 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000573622174 364877819 /nfs/dbraw/zinc/87/78/19/364877819.db2.gz ZQJRTSZRJNITHJ-BJDJZHNGSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+]CCCC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371243893 181371806 /nfs/dbraw/zinc/37/18/06/181371806.db2.gz LSYZUPBPXMEGHI-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000573799868 364917808 /nfs/dbraw/zinc/91/78/08/364917808.db2.gz HACWAYOPIZKIFP-VHSXEESVSA-N 2 0 230.356 0.411 20 0 BCADRP C[C@@H](NC(=O)[C@H]1[NH2+]CCc2ccccc21)[C@H](C)[NH3+] ZINC000573786581 364914821 /nfs/dbraw/zinc/91/48/21/364914821.db2.gz VQHVYGJHSQYKSQ-CWSCBRNRSA-N 2 0 247.342 0.725 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000573681745 364891129 /nfs/dbraw/zinc/89/11/29/364891129.db2.gz UFFMNWUGSQQHEO-MNOVXSKESA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000573681747 364891313 /nfs/dbraw/zinc/89/13/13/364891313.db2.gz UFFMNWUGSQQHEO-WDEREUQCSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000573682611 364892631 /nfs/dbraw/zinc/89/26/31/364892631.db2.gz LNGYINMOELSBSJ-SNVBAGLBSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000573815695 364924379 /nfs/dbraw/zinc/92/43/79/364924379.db2.gz UBKKYKWKUITGOA-WCBMZHEXSA-N 2 0 213.325 0.228 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000669511997 541422180 /nfs/dbraw/zinc/42/21/80/541422180.db2.gz RBGHGWBIBHVASG-LBPRGKRZSA-N 2 0 235.331 0.536 20 0 BCADRP [NH3+]CCCCCCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368183723 181375293 /nfs/dbraw/zinc/37/52/93/181375293.db2.gz IHIVOUHIBKINNJ-QWRGUYRKSA-N 2 0 245.342 0.712 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCC1CCOCC1 ZINC000574046941 364975027 /nfs/dbraw/zinc/97/50/27/364975027.db2.gz QSUVOAHGXJZTAO-CYBMUJFWSA-N 2 0 244.379 0.705 20 0 BCADRP C[C@]1(c2nc(C3([NH3+])CCC3)no2)CC[NH2+]C1 ZINC000574082278 364983285 /nfs/dbraw/zinc/98/32/85/364983285.db2.gz MUQVUYUMAWQVHQ-JTQLQIEISA-N 2 0 222.292 0.659 20 0 BCADRP [NH3+]CCCN(CC[NH3+])CCc1ccccc1 ZINC000026395616 181379889 /nfs/dbraw/zinc/37/98/89/181379889.db2.gz GYOLPYPRBWBBKT-UHFFFAOYSA-N 2 0 221.348 0.839 20 0 BCADRP C[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000574172774 365004071 /nfs/dbraw/zinc/00/40/71/365004071.db2.gz WAQIBYQTTWXAHI-OPRDCNLKSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]CCCN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000021950270 181381176 /nfs/dbraw/zinc/38/11/76/181381176.db2.gz GWKFOLDEHXOVCD-LBPRGKRZSA-N 2 0 227.352 0.132 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000304226920 181381779 /nfs/dbraw/zinc/38/17/79/181381779.db2.gz JKJBBINTCNWDFI-NSHDSACASA-N 2 0 227.352 0.749 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250831486 181382473 /nfs/dbraw/zinc/38/24/73/181382473.db2.gz JGWLQEKUGGQHRC-AXFHLTTASA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]CCC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000574401791 365054235 /nfs/dbraw/zinc/05/42/35/365054235.db2.gz PGWBODLMPBEHRB-NWDGAFQWSA-N 2 0 233.315 0.207 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000574516741 365072143 /nfs/dbraw/zinc/07/21/43/365072143.db2.gz CXIDXWJDBYDJGA-UTLUCORTSA-N 2 0 228.340 0.116 20 0 BCADRP NCc1nc(C(=O)NCC2([NH3+])CCC2)cs1 ZINC000574450174 365063196 /nfs/dbraw/zinc/06/31/96/365063196.db2.gz JVGGGYAKZJXRNC-UHFFFAOYSA-N 2 0 240.332 0.213 20 0 BCADRP [NH3+]CCCCC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000574451277 365065387 /nfs/dbraw/zinc/06/53/87/365065387.db2.gz CANCTEFDHVRLIZ-NSHDSACASA-N 2 0 227.352 0.621 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000574276319 365026402 /nfs/dbraw/zinc/02/64/02/365026402.db2.gz VIOZYYCHYUPBMA-CIUDSAMLSA-N 2 0 247.289 0.098 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000574297590 365032412 /nfs/dbraw/zinc/03/24/12/365032412.db2.gz PCYHEHKEJFEKJZ-ZJUUUORDSA-N 2 0 227.352 0.428 20 0 BCADRP COC[C@H](O)C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000574311817 365034788 /nfs/dbraw/zinc/03/47/88/365034788.db2.gz BYTOSVVRCDJHKF-QWHCGFSZSA-N 2 0 244.379 0.848 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC(F)F)C[C@@H](C)[NH2+]1 ZINC000574319235 365036065 /nfs/dbraw/zinc/03/60/65/365036065.db2.gz PWDVMNDEUGLTJW-BWZBUEFSSA-N 2 0 235.278 0.178 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000433161474 192987976 /nfs/dbraw/zinc/98/79/76/192987976.db2.gz XWDADLFFPQWKMO-LLVKDONJSA-N 2 0 241.379 0.995 20 0 BCADRP C(CC1CC[NH2+]CC1)CN1CC[NH2+]CC1 ZINC000238010945 541451621 /nfs/dbraw/zinc/45/16/21/541451621.db2.gz JSUYQYVKEGCVKR-UHFFFAOYSA-N 2 0 211.353 0.671 20 0 BCADRP O=C(C[NH2+]CC1CC1)NCC[C@H]1CCC[NH2+]C1 ZINC000574636043 365107326 /nfs/dbraw/zinc/10/73/26/365107326.db2.gz ATKPZMUKIRRQOD-LLVKDONJSA-N 2 0 239.363 0.492 20 0 BCADRP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000574756802 365137125 /nfs/dbraw/zinc/13/71/25/365137125.db2.gz DKMJSQUARCHKIL-FRRDWIJNSA-N 3 0 223.364 0.670 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000574690751 365120908 /nfs/dbraw/zinc/12/09/08/365120908.db2.gz LBPOMQGILGIWGQ-BJDJZHNGSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000433110806 192983139 /nfs/dbraw/zinc/98/31/39/192983139.db2.gz CIGKMWZNEVHWBH-JQWIXIFHSA-N 2 0 227.352 0.461 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCC[NH2+]C1CC1 ZINC000574517035 365073920 /nfs/dbraw/zinc/07/39/20/365073920.db2.gz MWYAZVVFXQJVAF-ZJUUUORDSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000574516738 365078743 /nfs/dbraw/zinc/07/87/43/365078743.db2.gz CXIDXWJDBYDJGA-BBBLOLIVSA-N 2 0 228.340 0.116 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000574517820 365079856 /nfs/dbraw/zinc/07/98/56/365079856.db2.gz CNZZCMXCWMXRHD-GFCCVEGCSA-N 2 0 233.315 0.612 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000433121221 192985060 /nfs/dbraw/zinc/98/50/60/192985060.db2.gz QZERIGATVDWXOJ-GRYCIOLGSA-N 2 0 241.379 0.803 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000574861919 365160360 /nfs/dbraw/zinc/16/03/60/365160360.db2.gz NGLJKVQCBPEVKT-ZJUUUORDSA-N 2 0 213.325 0.357 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000575044953 365175436 /nfs/dbraw/zinc/17/54/36/365175436.db2.gz GQNJPBPMTVMWKV-GUBZILKMSA-N 2 0 213.325 0.086 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000575045110 365176627 /nfs/dbraw/zinc/17/66/27/365176627.db2.gz PYJHDVUKXWFKKK-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000575057905 365180384 /nfs/dbraw/zinc/18/03/84/365180384.db2.gz VBDLBTXQCYAIAC-GFCCVEGCSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@]1(C(=O)NCCNc2ccccn2)CC[NH2+]C1 ZINC000574808095 365147243 /nfs/dbraw/zinc/14/72/43/365147243.db2.gz SDWQXELREFOZKT-CYBMUJFWSA-N 2 0 248.330 0.609 20 0 BCADRP C[C@@H](C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@H](C)[NH3+] ZINC000191987578 365219818 /nfs/dbraw/zinc/21/98/18/365219818.db2.gz CHHWVCBVMPGAOD-VWYCJHECSA-N 2 0 227.352 0.476 20 0 BCADRP CN(C)CC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000171368865 365192994 /nfs/dbraw/zinc/19/29/94/365192994.db2.gz MAIMBLIMYBGBIT-UHFFFAOYSA-N 2 0 239.363 0.635 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000238074288 181420582 /nfs/dbraw/zinc/42/05/82/181420582.db2.gz DXYPPPXONOWGSV-NWDGAFQWSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444164615 193038312 /nfs/dbraw/zinc/03/83/12/193038312.db2.gz GDGSOMRTVARXLM-AAEUAGOBSA-N 2 0 239.363 0.442 20 0 BCADRP CCCN(C(=O)[C@H](C)[C@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000192086667 365274720 /nfs/dbraw/zinc/27/47/20/365274720.db2.gz LCEWJMNYBRCRRI-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)c1c[nH+]ccc1N ZINC000444157303 193038693 /nfs/dbraw/zinc/03/86/93/193038693.db2.gz FDLSJJCNAHEMRG-SECBINFHSA-N 2 0 236.319 0.741 20 0 BCADRP CCC[NH+]1CCC(CNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444176462 193039105 /nfs/dbraw/zinc/03/91/05/193039105.db2.gz PTBXTMIFSXUQRY-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000444179217 193039209 /nfs/dbraw/zinc/03/92/09/193039209.db2.gz YTGBDQPHAHTJKE-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444179016 193039283 /nfs/dbraw/zinc/03/92/83/193039283.db2.gz CEOTZHNHRLMOPU-NTZNESFSSA-N 2 0 237.347 0.149 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CC[NH2+]1 ZINC000444177211 193039860 /nfs/dbraw/zinc/03/98/60/193039860.db2.gz SZSQZGSEQNWFMN-GARJFASQSA-N 2 0 223.320 0.091 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444181123 193040218 /nfs/dbraw/zinc/04/02/18/193040218.db2.gz JFJVLWAKLUHNRC-HBNTYKKESA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]1CN(C)CCN1C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444179018 193040248 /nfs/dbraw/zinc/04/02/48/193040248.db2.gz CEOTZHNHRLMOPU-WZRBSPASSA-N 2 0 237.347 0.149 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)c1c[nH+]ccc1N)C1CC1 ZINC000444182264 193040317 /nfs/dbraw/zinc/04/03/17/193040317.db2.gz KRMCGGKVXUKYHQ-LBPRGKRZSA-N 2 0 248.330 0.564 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@H](C)C[NH2+]1 ZINC000444265850 193043225 /nfs/dbraw/zinc/04/32/25/193043225.db2.gz RWLXTQXNHKPMBZ-DCQANWLSSA-N 2 0 237.347 0.195 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444269005 193043422 /nfs/dbraw/zinc/04/34/22/193043422.db2.gz SVIATWUEFQZOMC-GMTAPVOTSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@@H](C(=O)NCC[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000444267676 193043951 /nfs/dbraw/zinc/04/39/51/193043951.db2.gz MXZCJDINAQSTQZ-NEPJUHHUSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000192127187 365276219 /nfs/dbraw/zinc/27/62/19/365276219.db2.gz MZJNBDOEOFUEIZ-VHSXEESVSA-N 2 0 227.352 0.476 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000192126849 365276539 /nfs/dbraw/zinc/27/65/39/365276539.db2.gz JZLFCPJCAZRTQR-BDAKNGLRSA-N 2 0 201.314 0.086 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000575182035 365230311 /nfs/dbraw/zinc/23/03/11/365230311.db2.gz QEDJDVPJYBSIIE-YTWAJWBKSA-N 2 0 225.336 0.310 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C2([NH3+])CCC2)C1 ZINC000575309293 365283383 /nfs/dbraw/zinc/28/33/83/365283383.db2.gz LDGJIFCDMAOFTK-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CCCC[NH3+] ZINC000379829699 365285308 /nfs/dbraw/zinc/28/53/08/365285308.db2.gz ZMDQRCGVBODRPW-SECBINFHSA-N 2 0 201.314 0.215 20 0 BCADRP C[C@H](CC(=O)N[C@@H](C)CC[NH3+])C1CC[NH2+]CC1 ZINC000575399970 365309025 /nfs/dbraw/zinc/30/90/25/365309025.db2.gz DIZBRSHNRMZICM-MNOVXSKESA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000575921643 365415312 /nfs/dbraw/zinc/41/53/12/365415312.db2.gz GNFSNRMLGWCUJL-HBNTYKKESA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000575923850 365416688 /nfs/dbraw/zinc/41/66/88/365416688.db2.gz NNLHJLDZCQHOGT-AXFHLTTASA-N 2 0 225.336 0.276 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000575853611 365385569 /nfs/dbraw/zinc/38/55/69/365385569.db2.gz GKAYNEPCPHFJBL-JTQLQIEISA-N 2 0 230.356 0.235 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C[NH2+]CC2CC2)CC[NH2+]1 ZINC000575867457 365394995 /nfs/dbraw/zinc/39/49/95/365394995.db2.gz SKQUAKQRASETLT-GXSJLCMTSA-N 2 0 225.336 0.243 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000575869626 365396376 /nfs/dbraw/zinc/39/63/76/365396376.db2.gz DTBUWLWSAXOFJN-QXEWZRGKSA-N 2 0 215.341 0.746 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1CF ZINC000575879065 365404211 /nfs/dbraw/zinc/40/42/11/365404211.db2.gz IDSHXXIXMXFUDF-MNOVXSKESA-N 2 0 218.316 0.733 20 0 BCADRP CSC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000575917324 365412196 /nfs/dbraw/zinc/41/21/96/365412196.db2.gz UYPWFQBEWVJSCJ-HBNTYKKESA-N 2 0 232.393 0.783 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000575989077 365436691 /nfs/dbraw/zinc/43/66/91/365436691.db2.gz NOONYBGDYKDEAC-RYUDHWBXSA-N 2 0 211.353 0.527 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN([C@@H](C)C(N)=O)C1 ZINC000173881522 365454124 /nfs/dbraw/zinc/45/41/24/365454124.db2.gz CTMMVURLSMHCFE-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H](C)[NH3+])cc1 ZINC000576041115 365459451 /nfs/dbraw/zinc/45/94/51/365459451.db2.gz FGWRYKKGASPGCW-BDAKNGLRSA-N 2 0 221.304 0.670 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000579590160 366894198 /nfs/dbraw/zinc/89/41/98/366894198.db2.gz MUSUGLJNVAWQQN-RCWTZXSCSA-N 2 0 225.336 0.099 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000579594192 366897431 /nfs/dbraw/zinc/89/74/31/366897431.db2.gz DEUSJEOEXJAAGG-UKKRHICBSA-N 2 0 225.336 0.357 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000576106766 365488627 /nfs/dbraw/zinc/48/86/27/365488627.db2.gz LCQIKESMZZJJOL-GUBZILKMSA-N 2 0 213.325 0.167 20 0 BCADRP CN(CC[NH3+])C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000576106927 365488786 /nfs/dbraw/zinc/48/87/86/365488786.db2.gz WLOOEWHWTZNGCM-LLVKDONJSA-N 2 0 221.304 0.494 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](CO)C2CC2)C1 ZINC000576122055 365492330 /nfs/dbraw/zinc/49/23/30/365492330.db2.gz VFWUTJGNWXZDGX-QJPTWQEYSA-N 2 0 212.337 0.864 20 0 BCADRP [NH3+][C@H]1CCCCC[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000576146990 365500130 /nfs/dbraw/zinc/50/01/30/365500130.db2.gz VGHZRIXEJLUAPS-SDDRHHMPSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000579607615 366905769 /nfs/dbraw/zinc/90/57/69/366905769.db2.gz HEJJKKAMYXUJPR-WOPDTQHZSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000579607613 366906154 /nfs/dbraw/zinc/90/61/54/366906154.db2.gz HEJJKKAMYXUJPR-IJLUTSLNSA-N 2 0 211.353 0.798 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000579700886 366982290 /nfs/dbraw/zinc/98/22/90/366982290.db2.gz NENOVPVYNZXPGP-OUAUKWLOSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000579714111 366989091 /nfs/dbraw/zinc/98/90/91/366989091.db2.gz VNRVVLJXYIADDH-OPRDCNLKSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000579934926 367090208 /nfs/dbraw/zinc/09/02/08/367090208.db2.gz HJIIMCOCZJPTLV-UMNHJUIQSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000579934923 367090284 /nfs/dbraw/zinc/09/02/84/367090284.db2.gz HJIIMCOCZJPTLV-HOSYDEDBSA-N 2 0 227.352 0.474 20 0 BCADRP C[NH2+]CC1CCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000579950081 367097177 /nfs/dbraw/zinc/09/71/77/367097177.db2.gz RKRSUDYUKFYKJL-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000579950701 367098677 /nfs/dbraw/zinc/09/86/77/367098677.db2.gz OLAMOIWFELJNAX-GFCCVEGCSA-N 2 0 239.363 0.573 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000579961606 367105055 /nfs/dbraw/zinc/10/50/55/367105055.db2.gz MCDSYCKEXFYTEP-PREPNJAASA-N 2 0 237.347 0.310 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000193323955 367167652 /nfs/dbraw/zinc/16/76/52/367167652.db2.gz REPMCVNUATWLIR-WSMDXJOWSA-N 2 0 239.363 0.855 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000193323968 367168151 /nfs/dbraw/zinc/16/81/51/367168151.db2.gz REPMCVNUATWLIR-YIBTVLSRSA-N 2 0 239.363 0.855 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000580891862 367198620 /nfs/dbraw/zinc/19/86/20/367198620.db2.gz LRDRHYFSAKEMNJ-RAIGVLPGSA-N 2 0 247.342 0.801 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000580891861 367199456 /nfs/dbraw/zinc/19/94/56/367199456.db2.gz LRDRHYFSAKEMNJ-KGYLQXTDSA-N 2 0 247.342 0.801 20 0 BCADRP C[C@H]1OCC[N@H+](CCN2CC[NH2+]CC2)[C@@H]1C ZINC000380493567 367223776 /nfs/dbraw/zinc/22/37/76/367223776.db2.gz BLWRMANSKIUWDX-VXGBXAGGSA-N 2 0 227.352 0.001 20 0 BCADRP C[C@@H]1[C@H](C)OCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000380493556 367224435 /nfs/dbraw/zinc/22/44/35/367224435.db2.gz BLWRMANSKIUWDX-NEPJUHHUSA-N 2 0 227.352 0.001 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]([NH3+])C2CC2)CC[NH2+]1 ZINC000581130700 367271865 /nfs/dbraw/zinc/27/18/65/367271865.db2.gz TZFFOLDLOWSNHJ-INTQDDNPSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@]1(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000581132149 367272406 /nfs/dbraw/zinc/27/24/06/367272406.db2.gz HDGRFAWDTYJKDP-JFGNBEQYSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@H]1CC[N@H+](CC(=O)NCCCC[NH+](C)C)C1 ZINC000581021521 367240004 /nfs/dbraw/zinc/24/00/04/367240004.db2.gz YIEIOKLVCLHYCZ-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)C[C@@H]1[NH3+] ZINC000581061465 367248467 /nfs/dbraw/zinc/24/84/67/367248467.db2.gz HGFHLVPTVOHHIT-HNCHTBHHSA-N 2 0 237.347 0.182 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)C1([NH3+])CCC1)C(F)(F)F ZINC000581311465 367339231 /nfs/dbraw/zinc/33/92/31/367339231.db2.gz KQMPEZQPVNHZPT-ZCFIWIBFSA-N 2 0 239.241 0.264 20 0 BCADRP FC(F)[C@H]1C[NH2+]CCN1CC[C@@H]1CC[NH2+]C1 ZINC000581311179 367339639 /nfs/dbraw/zinc/33/96/39/367339639.db2.gz MAJWEXBSXPUUJV-VHSXEESVSA-N 2 0 233.306 0.525 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000381040868 367340718 /nfs/dbraw/zinc/34/07/18/367340718.db2.gz CEGTYUWTQZBBGP-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000381040855 367341195 /nfs/dbraw/zinc/34/11/95/367341195.db2.gz CEGTYUWTQZBBGP-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000381063512 367345143 /nfs/dbraw/zinc/34/51/43/367345143.db2.gz LWBHNMZSBUWMEY-IJLUTSLNSA-N 2 0 230.352 0.314 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000581187549 367287033 /nfs/dbraw/zinc/28/70/33/367287033.db2.gz CHHCULGWQUUZHK-CMPLNLGQSA-N 2 0 248.330 0.030 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000581190576 367289634 /nfs/dbraw/zinc/28/96/34/367289634.db2.gz UETIUSOOMOBYNJ-ZJUUUORDSA-N 2 0 225.336 0.230 20 0 BCADRP COC[C@@H](C)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194542690 367303696 /nfs/dbraw/zinc/30/36/96/367303696.db2.gz DKJACDWDPXAVMH-SDDRHHMPSA-N 2 0 212.337 0.762 20 0 BCADRP CC[C@H](C)[N@H+](C)C[C@@H](O)CN(C)CCOC ZINC000380971546 367326787 /nfs/dbraw/zinc/32/67/87/367326787.db2.gz APWHGKLVMCSBEV-RYUDHWBXSA-N 2 0 232.368 0.656 20 0 BCADRP [NH3+]CCCCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000381317347 367380116 /nfs/dbraw/zinc/38/01/16/367380116.db2.gz UAEFMJGCSHGBOR-QWRGUYRKSA-N 2 0 227.352 0.749 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000381322337 367380931 /nfs/dbraw/zinc/38/09/31/367380931.db2.gz PIMZWHPCSFCPEI-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C[C@H]1CCC[NH2+]C1 ZINC000381362846 367387899 /nfs/dbraw/zinc/38/78/99/367387899.db2.gz FKLMBQMSAHWEDL-WOPDTQHZSA-N 3 0 211.353 0.655 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(C)(C)C[NH3+] ZINC000381373314 367390321 /nfs/dbraw/zinc/39/03/21/367390321.db2.gz IEWWCSTTYOFPRV-RKDXNWHRSA-N 2 0 213.325 0.167 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)CC[NH3+])CC1 ZINC000381373298 367390447 /nfs/dbraw/zinc/39/04/47/367390447.db2.gz IESXUICXLGMVRH-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000381402369 367395062 /nfs/dbraw/zinc/39/50/62/367395062.db2.gz AQNJOSFHVIKVOM-UTLUCORTSA-N 2 0 213.325 0.099 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000381413937 367398148 /nfs/dbraw/zinc/39/81/48/367398148.db2.gz UFTWUORRUKLYDR-SECBINFHSA-N 2 0 215.341 0.476 20 0 BCADRP C[C@H](NC(=O)CCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000381426202 367400867 /nfs/dbraw/zinc/40/08/67/367400867.db2.gz YVYMJTACBKEZIV-UWVGGRQHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C[C@]1(C)CC[NH2+]C1 ZINC000381438770 367404892 /nfs/dbraw/zinc/40/48/92/367404892.db2.gz YPLUTMYGKNYEDY-IJLUTSLNSA-N 2 0 211.353 0.655 20 0 BCADRP C[C@H](C[NH2+]CC1(F)CC1)N1CC[NH+](C)CC1 ZINC000381463247 367410649 /nfs/dbraw/zinc/41/06/49/367410649.db2.gz LSKYEZVCZRPHDF-LLVKDONJSA-N 2 0 229.343 0.714 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000381225911 367368159 /nfs/dbraw/zinc/36/81/59/367368159.db2.gz JVJHZBMVKCDQIB-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000581429122 367466483 /nfs/dbraw/zinc/46/64/83/367466483.db2.gz XFTRHEGLNVMKBC-QWRGUYRKSA-N 2 0 227.352 0.620 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1C[C@H](C)[NH+](C)C[C@H]1C ZINC000581437606 367471104 /nfs/dbraw/zinc/47/11/04/367471104.db2.gz QSGIBFVJUHATSM-XQQFMLRXSA-N 2 0 243.395 0.323 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000381989803 367477198 /nfs/dbraw/zinc/47/71/98/367477198.db2.gz HHYCKZXVFIPXQP-OPRDCNLKSA-N 2 0 213.325 0.500 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000381604025 367436358 /nfs/dbraw/zinc/43/63/58/367436358.db2.gz OMKKCQDKAHDKBV-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000581498767 367525961 /nfs/dbraw/zinc/52/59/61/367525961.db2.gz JUBJXKJHSPCKEW-NXEZZACHSA-N 2 0 225.336 0.324 20 0 BCADRP CCC[NH+]1CCC([NH2+]C[C@](C)(O)COC)CC1 ZINC000382565562 367540695 /nfs/dbraw/zinc/54/06/95/367540695.db2.gz NZNJKQJQKGRASV-ZDUSSCGKSA-N 2 0 244.379 0.848 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CCC[NH2+]3)C[C@H]21 ZINC000581487971 367519138 /nfs/dbraw/zinc/51/91/38/367519138.db2.gz CYNFDDZBUJJBTO-DDHJBXDOSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]([NH3+])c1ccc(NC(=O)COC2C[NH2+]C2)cc1 ZINC000581487731 367519200 /nfs/dbraw/zinc/51/92/00/367519200.db2.gz GDLULVYUAPIZCP-SECBINFHSA-N 2 0 249.314 0.633 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000382979684 367580105 /nfs/dbraw/zinc/58/01/05/367580105.db2.gz UBBALRASEQVEPK-UWVGGRQHSA-N 2 0 227.352 0.583 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCC1CC[NH+](C)CC1 ZINC000382990985 367583062 /nfs/dbraw/zinc/58/30/62/367583062.db2.gz YHCOVDYZAXFNLH-SNVBAGLBSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC1=CC[NH2+]CC1 ZINC000581547677 367575938 /nfs/dbraw/zinc/57/59/38/367575938.db2.gz PDKLUHGNMPMDJS-JTQLQIEISA-N 2 0 225.336 0.410 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000383301356 367611726 /nfs/dbraw/zinc/61/17/26/367611726.db2.gz HQKMKFLNNHYSPR-CMPLNLGQSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H](C)[NH2+]C1CC1 ZINC000383370047 367617557 /nfs/dbraw/zinc/61/75/57/367617557.db2.gz ODJZAPGFKRYGJO-VIFPVBQESA-N 2 0 213.325 0.195 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000581617486 367638399 /nfs/dbraw/zinc/63/83/99/367638399.db2.gz TYQPFCFMVQRPIL-UNXYVOJBSA-N 2 0 241.379 0.831 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)C1CCOCC1 ZINC000383679961 367648611 /nfs/dbraw/zinc/64/86/11/367648611.db2.gz QMTLHARXRNLIQU-YPMHNXCESA-N 2 0 244.379 0.704 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000581608876 367631879 /nfs/dbraw/zinc/63/18/79/367631879.db2.gz IPZNLEQNJDOHRJ-ZDUSSCGKSA-N 2 0 247.342 0.904 20 0 BCADRP COCCOCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000383855343 367655992 /nfs/dbraw/zinc/65/59/92/367655992.db2.gz MWUGFKRZKMKERU-BETUJISGSA-N 2 0 242.363 0.581 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000581665746 367665113 /nfs/dbraw/zinc/66/51/13/367665113.db2.gz FEARBOWUHPQWOC-NAKRPEOUSA-N 2 0 242.367 0.504 20 0 BCADRP Cn1cncc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000384223619 367675715 /nfs/dbraw/zinc/67/57/15/367675715.db2.gz DVLHTJFKVFYWEY-UWVGGRQHSA-N 2 0 208.309 0.780 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCC([NH+]2CCCC2)CC1 ZINC000384739475 367725687 /nfs/dbraw/zinc/72/56/87/367725687.db2.gz CROIIOYLDFRBQD-GFCCVEGCSA-N 2 0 237.347 0.435 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000384778411 367731041 /nfs/dbraw/zinc/73/10/41/367731041.db2.gz ANEBBSSHLZRAQG-GHMZBOCLSA-N 2 0 225.336 0.291 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000384778419 367731490 /nfs/dbraw/zinc/73/14/90/367731490.db2.gz ANEBBSSHLZRAQG-WDEREUQCSA-N 2 0 225.336 0.291 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[NH2+]1 ZINC000384779527 367731766 /nfs/dbraw/zinc/73/17/66/367731766.db2.gz KOPOVKZVTHFJKP-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CC[NH2+]1 ZINC000384793650 367732277 /nfs/dbraw/zinc/73/22/77/367732277.db2.gz WEAYSEMKGBQJGW-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[NH2+]1 ZINC000384840696 367741851 /nfs/dbraw/zinc/74/18/51/367741851.db2.gz TVOJYGVCQRFUSK-WDEREUQCSA-N 2 0 227.352 0.441 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000566200466 326011783 /nfs/dbraw/zinc/01/17/83/326011783.db2.gz WGVXFYTVSMJUBL-RKDXNWHRSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000566203872 326012596 /nfs/dbraw/zinc/01/25/96/326012596.db2.gz OMASRZLDCOJVRH-DCAQKATOSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000566206443 326013075 /nfs/dbraw/zinc/01/30/75/326013075.db2.gz REIHQOZAHJFLSQ-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000566206122 326013263 /nfs/dbraw/zinc/01/32/63/326013263.db2.gz OXIHXWJSOWLDSD-VLEAKVRGSA-N 2 0 227.352 0.617 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000581883418 367874060 /nfs/dbraw/zinc/87/40/60/367874060.db2.gz FLQDJYCHFJCABG-OUAUKWLOSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@]1(CNC[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000581824322 367832494 /nfs/dbraw/zinc/83/24/94/367832494.db2.gz FZTCDCOJBNNTEV-RYUDHWBXSA-N 2 0 211.353 0.575 20 0 BCADRP C[C@@H](NCCNC(=O)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000386062273 367906846 /nfs/dbraw/zinc/90/68/46/367906846.db2.gz XONRHFYAZWWBIJ-ZYHUDNBSSA-N 2 0 239.363 0.633 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)CCCC[NH3+] ZINC000566213054 326014112 /nfs/dbraw/zinc/01/41/12/326014112.db2.gz YFLJSBCIMFIBJN-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]Cc1ccc(NC(=O)[C@@H](C[NH3+])OC)cc1 ZINC000566250976 326024718 /nfs/dbraw/zinc/02/47/18/326024718.db2.gz NNEPMQAAZUHDBX-LLVKDONJSA-N 2 0 237.303 0.318 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000581954425 368021220 /nfs/dbraw/zinc/02/12/20/368021220.db2.gz WZSQQXICQHRIOT-RHYQMDGZSA-N 3 0 211.353 0.973 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN(C[C@H](C)[NH3+])C1 ZINC000442665484 201582738 /nfs/dbraw/zinc/58/27/38/201582738.db2.gz MNQSNZJOJRYEBH-RYUDHWBXSA-N 2 0 213.369 0.997 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000582001556 368118772 /nfs/dbraw/zinc/11/87/72/368118772.db2.gz XKWBAPAYRXIDCL-QWRGUYRKSA-N 2 0 225.336 0.054 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1CO ZINC000039118715 368273306 /nfs/dbraw/zinc/27/33/06/368273306.db2.gz UADKQUVEIVBWKQ-RYUDHWBXSA-N 2 0 212.337 0.927 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000566560209 326064336 /nfs/dbraw/zinc/06/43/36/326064336.db2.gz KXVDBDJPGUPYMG-WCQYABFASA-N 2 0 239.363 0.490 20 0 BCADRP C[NH+](C)CCCCC(=O)NCCC[NH+](C)C ZINC000060049871 368535837 /nfs/dbraw/zinc/53/58/37/368535837.db2.gz OAWBPIIFRBEJNK-UHFFFAOYSA-N 2 0 229.368 0.786 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000567048210 326106020 /nfs/dbraw/zinc/10/60/20/326106020.db2.gz SZLOJGIJMBARAO-MWLCHTKSSA-N 2 0 213.325 0.039 20 0 BCADRP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000081018631 368566564 /nfs/dbraw/zinc/56/65/64/368566564.db2.gz FCVQJOTZNMDWEL-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)C[C@@H](CNC(N)=[NH2+])[NH+]1CCCC1 ZINC000066245077 368642877 /nfs/dbraw/zinc/64/28/77/368642877.db2.gz WDTHBMRWOMANPN-JTQLQIEISA-N 2 0 212.341 0.980 20 0 BCADRP CC[NH2+]CCCN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000567159325 326125619 /nfs/dbraw/zinc/12/56/19/326125619.db2.gz GBPQUCCNUZKTFK-QWHCGFSZSA-N 2 0 241.379 0.343 20 0 BCADRP c1cnn(CCN2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631888797 370910138 /nfs/dbraw/zinc/91/01/38/370910138.db2.gz BCAJPALYDJMXMW-QWHCGFSZSA-N 2 0 234.347 0.957 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000110374426 368750547 /nfs/dbraw/zinc/75/05/47/368750547.db2.gz WZSMDKQXBGEOCN-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)N(C)C)C1 ZINC000072860468 368782954 /nfs/dbraw/zinc/78/29/54/368782954.db2.gz MFUYQDVJVZBSAQ-LBPRGKRZSA-N 2 0 241.379 0.738 20 0 BCADRP COCCOCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086403783 368880253 /nfs/dbraw/zinc/88/02/53/368880253.db2.gz DDNLZTCYDMPVTG-QWRGUYRKSA-N 2 0 216.325 0.509 20 0 BCADRP C[C@@H](C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@H](C)[NH3+] ZINC000567336563 326165526 /nfs/dbraw/zinc/16/55/26/326165526.db2.gz IYBQYBWVCCCBCL-WRWGMCAJSA-N 2 0 241.379 0.851 20 0 BCADRP CCO[C@@H]1C[N@H+](C[C@@H]2CCO[C@@H]2C)C[C@H]1C[NH3+] ZINC000631828997 369004704 /nfs/dbraw/zinc/00/47/04/369004704.db2.gz DGKCEUVWELMZTJ-YVECIDJPSA-N 2 0 242.363 0.707 20 0 BCADRP CCO[C@@H]1C[N@H+](C[C@H]2CCO[C@@H]2C)C[C@H]1C[NH3+] ZINC000631828994 369004731 /nfs/dbraw/zinc/00/47/31/369004731.db2.gz DGKCEUVWELMZTJ-FDYHWXHSSA-N 2 0 242.363 0.707 20 0 BCADRP [NH3+][C@@H]1CCCCCN(CCN2CC[NH2+]CC2)C1 ZINC000631835632 369048316 /nfs/dbraw/zinc/04/83/16/369048316.db2.gz WNQBZEZXNHMEKR-CYBMUJFWSA-N 2 0 240.395 0.095 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000567366725 326175634 /nfs/dbraw/zinc/17/56/34/326175634.db2.gz IBHBMBSADATQAN-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)CN1C1CC1 ZINC000623663148 369081172 /nfs/dbraw/zinc/08/11/72/369081172.db2.gz ZKZTXFYIMIXBMM-NAKRPEOUSA-N 2 0 237.347 0.465 20 0 BCADRP COCCOCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838744 369122192 /nfs/dbraw/zinc/12/21/92/369122192.db2.gz UNSOWAVXWYRZMZ-GHMZBOCLSA-N 2 0 216.325 0.176 20 0 BCADRP CC(C)N1CC[C@H]([N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000631839734 369169998 /nfs/dbraw/zinc/16/99/98/369169998.db2.gz KEYOGEJKPGWXBZ-UTUOFQBUSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000521628502 259538193 /nfs/dbraw/zinc/53/81/93/259538193.db2.gz JILMILMGRUMXRS-ROHXPCBUSA-N 2 0 239.363 0.556 20 0 BCADRP COC(=O)CCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000404884847 369438511 /nfs/dbraw/zinc/43/85/11/369438511.db2.gz IBABPHHLROQWJX-IUCAKERBSA-N 2 0 214.309 0.655 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404961892 369441231 /nfs/dbraw/zinc/44/12/31/369441231.db2.gz KDWXQXFRBIQHOF-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000165603455 203385479 /nfs/dbraw/zinc/38/54/79/203385479.db2.gz BSOWTVUKSDCEEQ-NEPJUHHUSA-N 2 0 239.363 0.585 20 0 BCADRP O=C1CCCN1CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000619725545 369555753 /nfs/dbraw/zinc/55/57/53/369555753.db2.gz YNAOTKWITSEUEH-TXEJJXNPSA-N 2 0 237.347 0.150 20 0 BCADRP CN(CCC(=O)NC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000567893380 326278027 /nfs/dbraw/zinc/27/80/27/326278027.db2.gz LNVJVVJXVYSBNI-GFCCVEGCSA-N 2 0 239.363 0.729 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000619900449 369631606 /nfs/dbraw/zinc/63/16/06/369631606.db2.gz VLNPZGXKIYKILX-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)CCC[NH3+])C1 ZINC000567982572 326290961 /nfs/dbraw/zinc/29/09/61/326290961.db2.gz BMSOQPTZTUQZJC-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699180 370117470 /nfs/dbraw/zinc/11/74/70/370117470.db2.gz RQYDUFDXBXIRNG-GRYCIOLGSA-N 2 0 241.379 0.912 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CO)[C@@H]1C ZINC000568181189 326321836 /nfs/dbraw/zinc/32/18/36/326321836.db2.gz MZCXNXPJVVAYNQ-XQQFMLRXSA-N 2 0 244.379 0.392 20 0 BCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252838971 370135745 /nfs/dbraw/zinc/13/57/45/370135745.db2.gz AQOYOJAOCNYVEN-SDDRHHMPSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]1CCN(Cc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000253194119 370161423 /nfs/dbraw/zinc/16/14/23/370161423.db2.gz POINZBWRPOJIHR-CMPLNLGQSA-N 2 0 222.336 0.837 20 0 BCADRP C[C@@]1(CO)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000309530549 370223525 /nfs/dbraw/zinc/22/35/25/370223525.db2.gz VVAKXVCLNGFZJY-LBPRGKRZSA-N 2 0 212.337 0.833 20 0 BCADRP [NH3+]CCCC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000309652354 370239611 /nfs/dbraw/zinc/23/96/11/370239611.db2.gz YCNSORDJCHYFJD-NXEZZACHSA-N 2 0 213.325 0.359 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000309738660 370252185 /nfs/dbraw/zinc/25/21/85/370252185.db2.gz CWVQCWDTVAHSJD-IUCAKERBSA-N 2 0 213.325 0.167 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000309814280 370258045 /nfs/dbraw/zinc/25/80/45/370258045.db2.gz UZMXIXLBWZLIQV-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000631868015 370359184 /nfs/dbraw/zinc/35/91/84/370359184.db2.gz SIMOHGLQQKXPCX-UTUOFQBUSA-N 2 0 209.337 0.328 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)C1C[NH2+]C1 ZINC000568264741 326337012 /nfs/dbraw/zinc/33/70/12/326337012.db2.gz UNKLGQPXLMJOPN-OPRDCNLKSA-N 2 0 225.336 0.051 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000310364556 370339884 /nfs/dbraw/zinc/33/98/84/370339884.db2.gz LNUKMLTWUXMPBR-RKDXNWHRSA-N 2 0 249.305 0.427 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000310364550 370340473 /nfs/dbraw/zinc/34/04/73/370340473.db2.gz LNUKMLTWUXMPBR-BDAKNGLRSA-N 2 0 249.305 0.427 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621670463 370420486 /nfs/dbraw/zinc/42/04/86/370420486.db2.gz ODXOZLFKHLAYDN-MNOVXSKESA-N 2 0 227.352 0.490 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621685781 370435634 /nfs/dbraw/zinc/43/56/34/370435634.db2.gz KGIAIAXLUMJZTG-GWCFXTLKSA-N 2 0 239.363 0.844 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684392 370431343 /nfs/dbraw/zinc/43/13/43/370431343.db2.gz LSQZKWTTYFNFBS-SCVCMEIPSA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+]CC1(CC(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621682246 370432199 /nfs/dbraw/zinc/43/21/99/370432199.db2.gz CCKLMQCKNRVAOE-GWCFXTLKSA-N 2 0 237.347 0.455 20 0 BCADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)[C@@H]1CCC[NH2+]C1)C2 ZINC000621683757 370432636 /nfs/dbraw/zinc/43/26/36/370432636.db2.gz AQKWRYJMSLHYJK-NQBHXWOUSA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)co1 ZINC000621683584 370432676 /nfs/dbraw/zinc/43/26/76/370432676.db2.gz YDGXVJVJLMFIPE-MFKMUULPSA-N 2 0 249.314 0.692 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621683602 370432833 /nfs/dbraw/zinc/43/28/33/370432833.db2.gz YLZDCQZWUDYRDI-ZPFDUUQYSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)([NH3+])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684139 370433835 /nfs/dbraw/zinc/43/38/35/370433835.db2.gz IAPLZAOKDKXZSZ-LDYMZIIASA-N 2 0 211.309 0.064 20 0 BCADRP CC[NH2+]CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621622018 370406704 /nfs/dbraw/zinc/40/67/04/370406704.db2.gz RFTSLPREUNBUFK-NSHDSACASA-N 2 0 227.352 0.492 20 0 BCADRP CN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000621622663 370407622 /nfs/dbraw/zinc/40/76/22/370407622.db2.gz JPXBBJGCYFKSBR-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CN(C(=O)CC[C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000621622665 370408106 /nfs/dbraw/zinc/40/81/06/370408106.db2.gz JPXBBJGCYFKSBR-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C1CC[NH2+]CC1)C2 ZINC000621684465 370434780 /nfs/dbraw/zinc/43/47/80/370434780.db2.gz MVJZYZUEMJLVAW-AAEUAGOBSA-N 2 0 237.347 0.326 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684727 370434827 /nfs/dbraw/zinc/43/48/27/370434827.db2.gz RKMLWHDJRIDUFF-KKZNHRDASA-N 2 0 211.309 0.064 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621685121 370434841 /nfs/dbraw/zinc/43/48/41/370434841.db2.gz ZBHZMNIVLOFMNR-IQJOONFLSA-N 2 0 211.309 0.064 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)o1 ZINC000621684893 370434844 /nfs/dbraw/zinc/43/48/44/370434844.db2.gz VGYQNTUVGUESKM-TVQRCGJNSA-N 2 0 249.314 0.692 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684726 370435073 /nfs/dbraw/zinc/43/50/73/370435073.db2.gz RKMLWHDJRIDUFF-IQJOONFLSA-N 2 0 211.309 0.064 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]3C[C@H]3[NH2+]1)C2 ZINC000621698608 370444931 /nfs/dbraw/zinc/44/49/31/370444931.db2.gz BPIMCHZCNDXRPD-OQEOFVATSA-N 2 0 235.331 0.077 20 0 BCADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[C@H]3C[C@H]3[NH2+]1)C2 ZINC000621698610 370445183 /nfs/dbraw/zinc/44/51/83/370445183.db2.gz BPIMCHZCNDXRPD-ZZBQETCWSA-N 2 0 235.331 0.077 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621698641 370445254 /nfs/dbraw/zinc/44/52/54/370445254.db2.gz CBNOSMSGDBYFAP-NOZJJQNGSA-N 2 0 246.314 0.448 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000621703833 370452140 /nfs/dbraw/zinc/45/21/40/370452140.db2.gz SPTSZQQHKSRMRF-IVZWLZJFSA-N 2 0 213.325 0.180 20 0 BCADRP CCn1nccc1CCN1CCC[C@@H]([NH3+])C1 ZINC000621773997 370518423 /nfs/dbraw/zinc/51/84/23/370518423.db2.gz HZBABUMXFKNCQT-LLVKDONJSA-N 2 0 222.336 0.869 20 0 BCADRP C([C@H]1CCC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000568393560 326353639 /nfs/dbraw/zinc/35/36/39/326353639.db2.gz GXPYNLBDABDLAF-TUAOUCFPSA-N 2 0 209.337 0.280 20 0 BCADRP CCn1cc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000621774971 370521107 /nfs/dbraw/zinc/52/11/07/370521107.db2.gz BNVAIJNTEPHSNJ-BETUJISGSA-N 2 0 234.347 0.597 20 0 BCADRP Cn1cc(CN2C[C@@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000621783109 370529748 /nfs/dbraw/zinc/52/97/48/370529748.db2.gz XFTBGSANGLCBAZ-RYUDHWBXSA-N 2 0 220.320 0.733 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000568509197 326360851 /nfs/dbraw/zinc/36/08/51/326360851.db2.gz CAVPUSCEHXYWIW-MXWKQRLJSA-N 2 0 225.336 0.372 20 0 BCADRP CC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000568651015 326371165 /nfs/dbraw/zinc/37/11/65/326371165.db2.gz GAKOZCLFBHLHEN-TUAOUCFPSA-N 2 0 225.336 0.467 20 0 BCADRP CO[C@H]1C[C@H]([NH2+]Cc2cnc(N(C)C)n2C)C1 ZINC000623809114 371105158 /nfs/dbraw/zinc/10/51/58/371105158.db2.gz RNQZVHKJVPBHNQ-HOMQSWHASA-N 2 0 238.335 0.753 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCN2CC[C@H](O)C2)CCO1 ZINC000623837469 371119590 /nfs/dbraw/zinc/11/95/90/371119590.db2.gz GLRLQOVJDAVGNG-TUAOUCFPSA-N 2 0 228.336 0.210 20 0 BCADRP CC[C@@H]1C[C@@H]([NH2+]CCN2CC[C@H](O)C2)CCO1 ZINC000623838414 371120893 /nfs/dbraw/zinc/12/08/93/371120893.db2.gz UJEUSZPSEMUVSU-RWMBFGLXSA-N 2 0 242.363 0.600 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000569219293 326395650 /nfs/dbraw/zinc/39/56/50/326395650.db2.gz NXCSLBFYMMLYLZ-JQWIXIFHSA-N 2 0 225.336 0.054 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120197 371319876 /nfs/dbraw/zinc/31/98/76/371319876.db2.gz UHPCJRNVALJYSH-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2COCCN2C)CC[N@@H+]1C ZINC000624174263 371365318 /nfs/dbraw/zinc/36/53/18/371365318.db2.gz UVCCXYHPXAQQDR-JHJVBQTASA-N 2 0 241.379 0.389 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)CC[N@@H+]1C ZINC000624219012 371407054 /nfs/dbraw/zinc/40/70/54/371407054.db2.gz IMDQSPQNGIAMSO-FIQHERPVSA-N 2 0 212.337 0.830 20 0 BCADRP CC[C@H]1CC[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000624230743 371418631 /nfs/dbraw/zinc/41/86/31/371418631.db2.gz FTANRMSSLHKKLF-TUAOUCFPSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCN2CC[C@@H](O)C2)[C@H]1C ZINC000624230893 371418822 /nfs/dbraw/zinc/41/88/22/371418822.db2.gz KJVMSAIIEUSWEK-KXNHARMFSA-N 2 0 212.337 0.687 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCN2CC[C@@H](O)C2)[C@@H]1C ZINC000624230891 371418892 /nfs/dbraw/zinc/41/88/92/371418892.db2.gz KJVMSAIIEUSWEK-DDHJBXDOSA-N 2 0 212.337 0.687 20 0 BCADRP C[C@H](CCCCO)[NH2+]CCN1CC[C@H](O)C1 ZINC000624336205 371486938 /nfs/dbraw/zinc/48/69/38/371486938.db2.gz KWSQPNOTDSYHLI-NEPJUHHUSA-N 2 0 230.352 0.194 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000187174691 181764832 /nfs/dbraw/zinc/76/48/32/181764832.db2.gz GPIHIEARINLCRH-MRVPVSSYSA-N 2 0 220.276 0.146 20 0 BCADRP C[C@@H]([NH3+])CN1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000631894258 371600890 /nfs/dbraw/zinc/60/08/90/371600890.db2.gz OQVAYIJQQRSPLL-GHMZBOCLSA-N 2 0 219.332 0.971 20 0 BCADRP Cn1cncc1CC[NH2+]Cc1ncc[nH]1 ZINC000401707183 371801945 /nfs/dbraw/zinc/80/19/45/371801945.db2.gz BRPWSGLQQZIRFS-UHFFFAOYSA-N 2 0 205.265 0.476 20 0 BCADRP CCCC[NH+]1CCC(NC(=O)[C@@H](C)C[NH3+])CC1 ZINC000054338226 168825991 /nfs/dbraw/zinc/82/59/91/168825991.db2.gz VTTQYSKLTJYEEV-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP [NH3+]C1(C[NH2+]C[C@H]2CCc3ncnn32)CCC1 ZINC000631823969 372602329 /nfs/dbraw/zinc/60/23/29/372602329.db2.gz RMFBQQIRWUKIEZ-SECBINFHSA-N 2 0 221.308 0.236 20 0 BCADRP C[C@@H]1OCC[C@@H]1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000631828153 372608905 /nfs/dbraw/zinc/60/89/05/372608905.db2.gz GUKPPTVGWYXOFW-WDEREUQCSA-N 2 0 228.336 0.197 20 0 BCADRP Cc1noc(CCC[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000631837064 372627352 /nfs/dbraw/zinc/62/73/52/372627352.db2.gz MJHGGDLPEDEBRP-MWLCHTKSSA-N 2 0 238.335 0.837 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C[NH3+] ZINC000631840317 372636075 /nfs/dbraw/zinc/63/60/75/372636075.db2.gz BQMWGXZVDJHDJR-ZYHUDNBSSA-N 2 0 235.331 0.412 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631852099 372651336 /nfs/dbraw/zinc/65/13/36/372651336.db2.gz BECJMRAGLOIRPH-UTUOFQBUSA-N 2 0 209.337 0.422 20 0 BCADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631825885 372603842 /nfs/dbraw/zinc/60/38/42/372603842.db2.gz XVWWUDNZUBWDPB-JQWIXIFHSA-N 2 0 235.335 0.436 20 0 BCADRP CC1([NH3+])CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000631824767 372604001 /nfs/dbraw/zinc/60/40/01/372604001.db2.gz PLMLACWVEPLFHM-JTQLQIEISA-N 2 0 235.335 0.579 20 0 BCADRP OCC[NH2+]C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000631862825 372665325 /nfs/dbraw/zinc/66/53/25/372665325.db2.gz OHHWUPLWZNIUOX-LBPRGKRZSA-N 3 0 241.379 0.032 20 0 BCADRP C([NH2+][C@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1CCOC1 ZINC000631867292 372669515 /nfs/dbraw/zinc/66/95/15/372669515.db2.gz OZXYOJISZVMKHJ-TUAOUCFPSA-N 2 0 210.321 0.755 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889125 372683876 /nfs/dbraw/zinc/68/38/76/372683876.db2.gz GCAHCJQGOILUMJ-RYUDHWBXSA-N 3 0 227.352 0.036 20 0 BCADRP C[NH2+]CCCN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888897 372683985 /nfs/dbraw/zinc/68/39/85/372683985.db2.gz CVYPCLUKERFNPX-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631891069 372686039 /nfs/dbraw/zinc/68/60/39/372686039.db2.gz VUYBRZWKMAAZRC-AGIUHOORSA-N 2 0 239.363 0.049 20 0 BCADRP COC[C@H](C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)OC ZINC000631890549 372687141 /nfs/dbraw/zinc/68/71/41/372687141.db2.gz QHFOHYLJZYIZOE-AVGNSLFASA-N 2 0 242.363 0.722 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)NCC[NH+]1CCCC1 ZINC000042166074 182018114 /nfs/dbraw/zinc/01/81/14/182018114.db2.gz VMKLELDPQVFLIP-NSHDSACASA-N 2 0 225.336 0.341 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)NCCC[NH+]1CCCC1 ZINC000042165955 182027626 /nfs/dbraw/zinc/02/76/26/182027626.db2.gz NXBLFLRSDDMGEQ-GFCCVEGCSA-N 2 0 239.363 0.731 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726697 182028432 /nfs/dbraw/zinc/02/84/32/182028432.db2.gz PVGSQDHCMWNFJX-MNOVXSKESA-N 2 0 237.347 0.481 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632862291 373196900 /nfs/dbraw/zinc/19/69/00/373196900.db2.gz AQVSPPMBZHSXGL-NEPJUHHUSA-N 2 0 239.363 0.585 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632877942 373202250 /nfs/dbraw/zinc/20/22/50/373202250.db2.gz OEMRDTVXUKIANY-ZYHUDNBSSA-N 2 0 237.347 0.339 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000169033027 205507378 /nfs/dbraw/zinc/50/73/78/205507378.db2.gz NOBNJLNNGAMAKA-AXFHLTTASA-N 2 0 227.352 0.713 20 0 BCADRP O=C(NCC[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000042313292 182184942 /nfs/dbraw/zinc/18/49/42/182184942.db2.gz RIGGSRRIHNIQAJ-NSHDSACASA-N 2 0 225.336 0.341 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634268607 374081476 /nfs/dbraw/zinc/08/14/76/374081476.db2.gz BDSKDACJFCQMJF-MNOVXSKESA-N 2 0 242.367 0.555 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C[NH2+]C2CC2)CC[N@@H+]1C ZINC000634300667 374126639 /nfs/dbraw/zinc/12/66/39/374126639.db2.gz HETMWTJSPVQEDD-GFCCVEGCSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH2+]CC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634300818 374128398 /nfs/dbraw/zinc/12/83/98/374128398.db2.gz MPIBTKFUCQAPEP-SNVBAGLBSA-N 2 0 213.325 0.004 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634270299 374084830 /nfs/dbraw/zinc/08/48/30/374084830.db2.gz MOEMPHJOCYGGLX-ZJUUUORDSA-N 2 0 228.340 0.165 20 0 BCADRP CN(CCC[NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634270273 374084917 /nfs/dbraw/zinc/08/49/17/374084917.db2.gz MEGDZQBZSLHCAE-JTQLQIEISA-N 2 0 228.340 0.119 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634271838 374086624 /nfs/dbraw/zinc/08/66/24/374086624.db2.gz WQEJTSZRCDBUTF-ZJUUUORDSA-N 2 0 228.340 0.165 20 0 BCADRP CO[C@H](C)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000381628178 374136483 /nfs/dbraw/zinc/13/64/83/374136483.db2.gz NETWEFVFNDJIBQ-VXGBXAGGSA-N 2 0 230.352 0.458 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@H]1CC[NH2+]C1 ZINC000418376789 206014608 /nfs/dbraw/zinc/01/46/08/206014608.db2.gz INJZJRLKAUZLMH-UWVGGRQHSA-N 2 0 228.340 0.165 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000428149958 206021922 /nfs/dbraw/zinc/02/19/22/206021922.db2.gz IAHLLOYLHIHPAO-IJLUTSLNSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000424129660 206031633 /nfs/dbraw/zinc/03/16/33/206031633.db2.gz GJVGWLNDALQWTP-KKOKHZNYSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000424125468 206032657 /nfs/dbraw/zinc/03/26/57/206032657.db2.gz AAMMHXANNWUXFA-NWDGAFQWSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000424130318 206032876 /nfs/dbraw/zinc/03/28/76/206032876.db2.gz HJXABNVMGASDLD-KXNHARMFSA-N 2 0 239.363 0.570 20 0 BCADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC000366478745 182290224 /nfs/dbraw/zinc/29/02/24/182290224.db2.gz VLUGNBZAAQGOBT-WDEREUQCSA-N 2 0 237.347 0.244 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000251425212 182301327 /nfs/dbraw/zinc/30/13/27/182301327.db2.gz STCNJOBUEJXWHN-QJPTWQEYSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000446280509 206089668 /nfs/dbraw/zinc/08/96/68/206089668.db2.gz IPWRLLLEKWYRQL-AXFHLTTASA-N 2 0 243.326 0.143 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C1(C[NH3+])CCCC1 ZINC000449601133 206099109 /nfs/dbraw/zinc/09/91/09/206099109.db2.gz QNBRAFRIEBPKEF-SECBINFHSA-N 2 0 213.325 0.359 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449598711 206099199 /nfs/dbraw/zinc/09/91/99/206099199.db2.gz CXBUYBKUFTVGPV-FOGDFJRCSA-N 2 0 235.331 0.847 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000376992280 182329463 /nfs/dbraw/zinc/32/94/63/182329463.db2.gz LHRSIJWARSQHMY-QWRGUYRKSA-N 2 0 225.336 0.244 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000238142966 182329768 /nfs/dbraw/zinc/32/97/68/182329768.db2.gz HRYMNNLCASPINK-WDEREUQCSA-N 2 0 237.347 0.244 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC000037023694 182336759 /nfs/dbraw/zinc/33/67/59/182336759.db2.gz SZHOSNJOPBWCLC-SRVKXCTJSA-N 2 0 237.347 0.481 20 0 BCADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000368642313 182345868 /nfs/dbraw/zinc/34/58/68/182345868.db2.gz JXRVHCBMLCJCJH-RQVGPUOWSA-N 2 0 249.358 0.241 20 0 BCADRP O=C1C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)CN1C1CC1 ZINC000335649456 182784656 /nfs/dbraw/zinc/78/46/56/182784656.db2.gz NWEDMDNZVUWDNK-MNOVXSKESA-N 2 0 237.347 0.481 20 0 BCADRP O=C([C@@H]1CCC[NH2+]1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747649 134311113 /nfs/dbraw/zinc/31/11/13/134311113.db2.gz ARRPBWBTXIVPGO-LBPRGKRZSA-N 2 0 237.347 0.435 20 0 BCADRP OCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363413893 183056587 /nfs/dbraw/zinc/05/65/87/183056587.db2.gz IIMGOABYLYBMRS-JHJVBQTASA-N 2 0 224.348 0.785 20 0 BCADRP OCC[NH+]1CCC(C[NH2+]Cc2ncc[nH]2)CC1 ZINC000330672534 183071518 /nfs/dbraw/zinc/07/15/18/183071518.db2.gz XQGCHPNXIVFSFT-UHFFFAOYSA-N 2 0 238.335 0.204 20 0 BCADRP OCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000360911593 183076149 /nfs/dbraw/zinc/07/61/49/183076149.db2.gz DRXOGGAONBCDEU-UTUOFQBUSA-N 2 0 210.321 0.395 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]([NH3+])C(C)C ZINC000309360370 169002251 /nfs/dbraw/zinc/00/22/51/169002251.db2.gz AITLKUFBWTZSAA-NXEZZACHSA-N 2 0 215.341 0.603 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCCC[NH2+]1 ZINC000132020258 169002405 /nfs/dbraw/zinc/00/24/05/169002405.db2.gz QLSPJOBNKIFZFP-GHMZBOCLSA-N 2 0 227.352 0.762 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C1([NH3+])CCOCC1 ZINC000338134205 169002411 /nfs/dbraw/zinc/00/24/11/169002411.db2.gz NJCFJVBPOGUYHY-SNVBAGLBSA-N 2 0 243.351 0.128 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCC[NH2+]1 ZINC000132020664 169002468 /nfs/dbraw/zinc/00/24/68/169002468.db2.gz JSHQMHHGPOHXBE-ZJUUUORDSA-N 2 0 213.325 0.372 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360815665 169005783 /nfs/dbraw/zinc/00/57/83/169005783.db2.gz DSKRARZLMGAGKN-AAEUAGOBSA-N 2 0 239.363 0.716 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000336753023 169006044 /nfs/dbraw/zinc/00/60/44/169006044.db2.gz WDTPBUVHEGQWNE-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000038089358 169007230 /nfs/dbraw/zinc/00/72/30/169007230.db2.gz JMVMNPFQGAIKFE-UWVGGRQHSA-N 2 0 215.341 0.570 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000309406668 169007669 /nfs/dbraw/zinc/00/76/69/169007669.db2.gz IAPDXXASQYLHBW-UWVGGRQHSA-N 2 0 215.341 0.603 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@H](C)CC[NH3+] ZINC000309091869 169007895 /nfs/dbraw/zinc/00/78/95/169007895.db2.gz BLGLUTWDGBWYLC-BDAKNGLRSA-N 2 0 201.314 0.357 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726721 169008201 /nfs/dbraw/zinc/00/82/01/169008201.db2.gz BCSCPJHJYOHSDC-PWSUYJOCSA-N 2 0 239.363 0.857 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](C)C[NH2+]C ZINC000236900868 169001865 /nfs/dbraw/zinc/00/18/65/169001865.db2.gz CJJIAWJGCFCOPH-VHSXEESVSA-N 2 0 215.341 0.476 20 0 BCADRP OC[C@H]1[C@@H]2C[N@H+](CCC[NH+]3CCCC3)C[C@H]12 ZINC000368334411 183133108 /nfs/dbraw/zinc/13/31/08/183133108.db2.gz WKZHTDJFSRKSBU-ITGUQSILSA-N 2 0 224.348 0.642 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000359258240 169068171 /nfs/dbraw/zinc/06/81/71/169068171.db2.gz DDNCIPAIZTUOKN-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)C ZINC000359254189 169070384 /nfs/dbraw/zinc/07/03/84/169070384.db2.gz SPDHKLVJAWEIJR-SNVBAGLBSA-N 2 0 215.341 0.395 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CC ZINC000359249917 169072467 /nfs/dbraw/zinc/07/24/67/169072467.db2.gz YFGKXJDETBAERK-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]C ZINC000309653827 169073228 /nfs/dbraw/zinc/07/32/28/169073228.db2.gz UVAHUYXYVWCEKK-VIFPVBQESA-N 2 0 201.314 0.052 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000357290712 169073266 /nfs/dbraw/zinc/07/32/66/169073266.db2.gz DIDGNZGUYHMXLM-DMDPSCGWSA-N 2 0 241.379 0.831 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH3+])C1 ZINC000236762344 169078283 /nfs/dbraw/zinc/07/82/83/169078283.db2.gz PANRKCKJPVFITN-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)NC)C1 ZINC000357925961 169078323 /nfs/dbraw/zinc/07/83/23/169078323.db2.gz CYLNAQHLJBZKMD-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359398419 169067278 /nfs/dbraw/zinc/06/72/78/169067278.db2.gz XRLBDMXLIUMPMW-GHMZBOCLSA-N 2 0 225.336 0.006 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)CCC[NH2+]C ZINC000226406898 169120648 /nfs/dbraw/zinc/12/06/48/169120648.db2.gz KEAPKWFRXCVVTM-UHFFFAOYSA-N 2 0 229.368 0.834 20 0 BCADRP CCC[NH+]1CCC([N@H+](C)CCOCCO)CC1 ZINC000304282875 169186027 /nfs/dbraw/zinc/18/60/27/169186027.db2.gz KULWXKXVMQDHKG-UHFFFAOYSA-N 2 0 244.379 0.802 20 0 BCADRP CCC[NH+]1CCC(CNC(=O)CC[NH3+])CC1 ZINC000165868143 169186453 /nfs/dbraw/zinc/18/64/53/169186453.db2.gz HCHTZEQURWRQGA-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP CCC[NH+]1CCC(N(C)C(=O)[C@H](C)[NH3+])CC1 ZINC000038100754 169186458 /nfs/dbraw/zinc/18/64/58/169186458.db2.gz UESDLQADMJTXJA-JTQLQIEISA-N 2 0 227.352 0.666 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000178809327 134315258 /nfs/dbraw/zinc/31/52/58/134315258.db2.gz GWWCQXYTMSWICK-NEPJUHHUSA-N 2 0 239.363 0.668 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000236763579 169195231 /nfs/dbraw/zinc/19/52/31/169195231.db2.gz BOBWZNRZRWDKJF-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346134899 169199858 /nfs/dbraw/zinc/19/98/58/169199858.db2.gz KKPAKTYDPUGOCM-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP CCC[NH+]1CCN(c2nccn2C)CC1 ZINC000266884111 169205891 /nfs/dbraw/zinc/20/58/91/169205891.db2.gz AYNPMDDVUDORHF-UHFFFAOYSA-N 2 0 208.309 0.952 20 0 BCADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(N)=O)C1 ZINC000336751240 169206708 /nfs/dbraw/zinc/20/67/08/169206708.db2.gz CESKDRMLDRUDRE-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[NH2+]CCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000370401322 169258090 /nfs/dbraw/zinc/25/80/90/169258090.db2.gz WHJBHZATXRNXCM-LBPRGKRZSA-N 2 0 241.379 0.882 20 0 BCADRP CCC[NH2+]CCNC(=O)C1([NH3+])CCCCC1 ZINC000154346192 169258284 /nfs/dbraw/zinc/25/82/84/169258284.db2.gz ZUEUABYUQSOLOQ-UHFFFAOYSA-N 2 0 227.352 0.764 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000181015125 169258754 /nfs/dbraw/zinc/25/87/54/169258754.db2.gz QEWAYUIMFJXXRE-GFCCVEGCSA-N 2 0 227.352 0.634 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@]1(CC)CC[NH2+]C1 ZINC000364551240 169259050 /nfs/dbraw/zinc/25/90/50/169259050.db2.gz UPWGJWRGKBHMGU-GFCCVEGCSA-N 2 0 227.352 0.492 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000236809892 169259163 /nfs/dbraw/zinc/25/91/63/169259163.db2.gz AFJBPJFNVBLIDE-LLVKDONJSA-N 2 0 213.325 0.102 20 0 BCADRP CCCNC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514400 169246245 /nfs/dbraw/zinc/24/62/45/169246245.db2.gz JGZXEGCDBPWCOO-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000178815575 134315781 /nfs/dbraw/zinc/31/57/81/134315781.db2.gz HSDPWMBBRFGBOA-NXEZZACHSA-N 2 0 213.325 0.147 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)CCOC)C1 ZINC000221284196 134322557 /nfs/dbraw/zinc/32/25/57/134322557.db2.gz VRLADSUTZSUZFZ-QWRGUYRKSA-N 2 0 200.326 0.953 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000224045430 134344661 /nfs/dbraw/zinc/34/46/61/134344661.db2.gz HHPWQHLPGUFKJT-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000224044661 134344710 /nfs/dbraw/zinc/34/47/10/134344710.db2.gz MAJFXMKLOKIFJY-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP CC1(CNC(=O)[C@]2(F)CC[NH2+]C2)CC[NH2+]CC1 ZINC000183367858 134350971 /nfs/dbraw/zinc/35/09/71/134350971.db2.gz VBHKIYYQIDIOHD-LBPRGKRZSA-N 2 0 243.326 0.194 20 0 BCADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCCO1 ZINC000225245957 134351747 /nfs/dbraw/zinc/35/17/47/134351747.db2.gz QEIONKNNNOSPAC-XQQFMLRXSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@H](CC(=O)NCCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000087973460 383825940 /nfs/dbraw/zinc/82/59/40/383825940.db2.gz LVFBSQAHJYUEOX-MNOVXSKESA-N 2 0 227.352 0.477 20 0 BCADRP O=C(C1CC[NH2+]CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812575 383862007 /nfs/dbraw/zinc/86/20/07/383862007.db2.gz GQIMEQAUJLHCFL-GFCCVEGCSA-N 2 0 237.347 0.293 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000565892206 383863709 /nfs/dbraw/zinc/86/37/09/383863709.db2.gz ABXAORJGGPZFBB-NXEZZACHSA-N 2 0 235.331 0.745 20 0 BCADRP COC(=O)CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000069627115 383832600 /nfs/dbraw/zinc/83/26/00/383832600.db2.gz XRQCKMKAKUPBFM-IUCAKERBSA-N 2 0 200.282 0.219 20 0 BCADRP Cn1cnnc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000569363849 383918961 /nfs/dbraw/zinc/91/89/61/383918961.db2.gz NPBXYMAQWDGWQX-LBPRGKRZSA-N 2 0 249.362 0.637 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000449343943 383923677 /nfs/dbraw/zinc/92/36/77/383923677.db2.gz OJMYVLHNFXBOEB-VXGBXAGGSA-N 2 0 241.379 0.688 20 0 BCADRP C[NH+]1CCC(C(=O)NC2(C[NH3+])CCCC2)CC1 ZINC000237104942 383890037 /nfs/dbraw/zinc/89/00/37/383890037.db2.gz GKVNJTZXFCAIBV-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000569364963 383934039 /nfs/dbraw/zinc/93/40/39/383934039.db2.gz FPMZZUAVXFXSBS-AXTSPUMRSA-N 2 0 213.325 0.226 20 0 BCADRP CC[C@H]1CN(C(=O)C2([NH3+])CCCC2)CC[C@H]1[NH3+] ZINC000648126047 383983153 /nfs/dbraw/zinc/98/31/53/383983153.db2.gz YURHIDVJXIUHCR-WDEREUQCSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000518531897 383983951 /nfs/dbraw/zinc/98/39/51/383983951.db2.gz HCSMMFAVVZFPCE-XWLWVQCSSA-N 2 0 227.352 0.413 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000518531896 383984585 /nfs/dbraw/zinc/98/45/85/383984585.db2.gz HCSMMFAVVZFPCE-VPOLOUISSA-N 2 0 227.352 0.413 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000648126874 383992082 /nfs/dbraw/zinc/99/20/82/383992082.db2.gz XNKFJZFIBABXPU-ZNSHCXBVSA-N 2 0 225.336 0.310 20 0 BCADRP C[N@H+](CCNC(=O)CC[NH3+])C1CCCC1 ZINC000071377502 383992253 /nfs/dbraw/zinc/99/22/53/383992253.db2.gz FJRUMEYQCGUUCJ-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N)CC[C@H]1[NH3+] ZINC000648126841 383992855 /nfs/dbraw/zinc/99/28/55/383992855.db2.gz WTQYCYWDLXMYAE-MWLCHTKSSA-N 2 0 248.330 0.694 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000357237134 383966637 /nfs/dbraw/zinc/96/66/37/383966637.db2.gz GHOKVZJMNQAXNP-MFKMUULPSA-N 2 0 247.342 0.727 20 0 BCADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000643542398 383966722 /nfs/dbraw/zinc/96/67/22/383966722.db2.gz KOPUKQDLWBUIQB-YNEHKIRRSA-N 2 0 242.363 0.912 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091392900 383970705 /nfs/dbraw/zinc/97/07/05/383970705.db2.gz TWWFBWXKECPGTA-UTUOFQBUSA-N 2 0 241.379 0.912 20 0 BCADRP C[N@H+](C[C@@H](O)CN1CCC1(C)C)C1CC1 ZINC000558460076 384022332 /nfs/dbraw/zinc/02/23/32/384022332.db2.gz WXJRZJHGJCENIO-LLVKDONJSA-N 2 0 212.337 0.926 20 0 BCADRP C[C@]1(c2nc([C@@H]3CCC[NH2+]3)no2)CC[NH2+]C1 ZINC000647156990 384043718 /nfs/dbraw/zinc/04/37/18/384043718.db2.gz ZIIIHBGBDUQWFI-KWQFWETISA-N 2 0 222.292 0.745 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@H]2[NH2+]CC2(C)C)[C@H]1C ZINC000648127730 384052581 /nfs/dbraw/zinc/05/25/81/384052581.db2.gz UFYGFMVANOARFT-LPEHRKFASA-N 2 0 225.336 0.193 20 0 BCADRP CC[N@H+](C)CCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC000565959174 384032170 /nfs/dbraw/zinc/03/21/70/384032170.db2.gz KOQZTHDATOYURB-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449372470 384042189 /nfs/dbraw/zinc/04/21/89/384042189.db2.gz IGKZFQBZMMZBLD-GMTAPVOTSA-N 2 0 227.352 0.748 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)NC[C@H](C)[NH3+] ZINC000648129368 384084131 /nfs/dbraw/zinc/08/41/31/384084131.db2.gz VJRTUKHLCPDXQC-JTQLQIEISA-N 2 0 235.331 0.526 20 0 BCADRP CN(C[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000309652738 384056936 /nfs/dbraw/zinc/05/69/36/384056936.db2.gz UFEHCCWATXODFT-NSHDSACASA-N 3 0 211.353 0.670 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(C[NH3+])C2)CC[N@@H+]1C ZINC000648130992 384091497 /nfs/dbraw/zinc/09/14/97/384091497.db2.gz RISDCOGZGZQBQE-NQBHXWOUSA-N 2 0 239.363 0.524 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCc1nccn1C ZINC000070854725 384138428 /nfs/dbraw/zinc/13/84/28/384138428.db2.gz DFYWFJYOXYRGPS-VIFPVBQESA-N 2 0 224.308 0.410 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000648136945 384158849 /nfs/dbraw/zinc/15/88/49/384158849.db2.gz OCVWRRACLMSJTA-VXGBXAGGSA-N 2 0 239.363 0.716 20 0 BCADRP O=C(C1C[NH2+]C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000336575795 384164628 /nfs/dbraw/zinc/16/46/28/384164628.db2.gz MNDPTLLSLFPNIO-LBPRGKRZSA-N 2 0 237.347 0.196 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000648140879 384170997 /nfs/dbraw/zinc/17/09/97/384170997.db2.gz OUULJCFBMRHZBZ-UWVGGRQHSA-N 2 0 245.342 0.568 20 0 BCADRP C[C@H](C(=O)N(C)C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000310496852 384182499 /nfs/dbraw/zinc/18/24/99/384182499.db2.gz IJXAOPXEEQFZQJ-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000564937934 384201144 /nfs/dbraw/zinc/20/11/44/384201144.db2.gz QFTPAUSPVJGTOD-OYNCUSHFSA-N 2 0 228.340 0.149 20 0 BCADRP C[C@@H](C(=O)N(C)C)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336599572 384206451 /nfs/dbraw/zinc/20/64/51/384206451.db2.gz PJVJKXVOIMNZFO-AAEUAGOBSA-N 2 0 239.363 0.491 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647113206 384196740 /nfs/dbraw/zinc/19/67/40/384196740.db2.gz XXZKHHFXWDRALD-AOOOYVTPSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000082475027 384230970 /nfs/dbraw/zinc/23/09/70/384230970.db2.gz DZPPXPVITAZPNC-SECBINFHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH3+])CC[N@@H+]1C ZINC000132923046 384213324 /nfs/dbraw/zinc/21/33/24/384213324.db2.gz GWTDEJXCYCNVQR-RKDXNWHRSA-N 2 0 213.325 0.323 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000336618690 384240310 /nfs/dbraw/zinc/24/03/10/384240310.db2.gz HRVKDCSKFPJXMP-NEPJUHHUSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)C12CCC[NH+]1CCC2 ZINC000566213675 384224247 /nfs/dbraw/zinc/22/42/47/384224247.db2.gz AAMPYALOONCNTB-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644164356 384245624 /nfs/dbraw/zinc/24/56/24/384245624.db2.gz HSTNLZYJDLDCKK-YIZRAAEISA-N 2 0 247.289 0.179 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)CCC(C)(C)[NH3+] ZINC000648144335 384249291 /nfs/dbraw/zinc/24/92/91/384249291.db2.gz ICSQPHMHTYETTD-VIFPVBQESA-N 2 0 215.341 0.748 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648144547 384264133 /nfs/dbraw/zinc/26/41/33/384264133.db2.gz PKHUNTLSEFVKSD-GMTAPVOTSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648144484 384266014 /nfs/dbraw/zinc/26/60/14/384266014.db2.gz DRKWJRBDTNJWBI-DTWKUNHWSA-N 2 0 249.305 0.475 20 0 BCADRP C[C@@H]1CN(CC[N@@H+]2CC[C@](C)(C[NH3+])C2)CCO1 ZINC000564986616 384304394 /nfs/dbraw/zinc/30/43/94/384304394.db2.gz AKVOKEAXAJQPCE-CHWSQXEVSA-N 2 0 241.379 0.378 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000516925446 384308725 /nfs/dbraw/zinc/30/87/25/384308725.db2.gz REFMGVISOZUSAL-MIMYLULJSA-N 2 0 225.336 0.228 20 0 BCADRP Cc1nc(N)nc(NC2CC[NH+](C)CC2)n1 ZINC000304461512 384322675 /nfs/dbraw/zinc/32/26/75/384322675.db2.gz MHZVVSGUDUNMMB-UHFFFAOYSA-N 2 0 222.296 0.268 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)CO1 ZINC000401910429 384284087 /nfs/dbraw/zinc/28/40/87/384284087.db2.gz KOENAMCNWNXZMB-QWHCGFSZSA-N 2 0 241.379 0.391 20 0 BCADRP [NH3+]CC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000564988113 384321724 /nfs/dbraw/zinc/32/17/24/384321724.db2.gz JXHAVMKSVBXZPI-GFCCVEGCSA-N 3 0 211.353 0.657 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370773198 384294224 /nfs/dbraw/zinc/29/42/24/384294224.db2.gz NAVSNAVGFMAKOW-RHYQMDGZSA-N 2 0 237.347 0.276 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647506518 384296224 /nfs/dbraw/zinc/29/62/24/384296224.db2.gz MJLVHAGLJSWUBE-SRVKXCTJSA-N 2 0 229.368 0.408 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000647506579 384297134 /nfs/dbraw/zinc/29/71/34/384297134.db2.gz SZJBKPIAPCAEFU-SRVKXCTJSA-N 2 0 227.352 0.034 20 0 BCADRP COCCOCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397338437 384298642 /nfs/dbraw/zinc/29/86/42/384298642.db2.gz ZEDIGUHTEZIZBC-XQQFMLRXSA-N 2 0 244.379 0.955 20 0 BCADRP [NH3+]CC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000083884182 384341270 /nfs/dbraw/zinc/34/12/70/384341270.db2.gz GNSFUXVSLFKQJG-LLVKDONJSA-N 2 0 225.336 0.422 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)CCCC[NH3+])C[C@@H]1C[NH3+] ZINC000648179698 384349786 /nfs/dbraw/zinc/34/97/86/384349786.db2.gz SKTRYGXJFUCDRP-UTUOFQBUSA-N 2 0 241.379 0.947 20 0 BCADRP CC[NH+](C/C=C/C[N@H+](CC)CCO)CCO ZINC000123056708 384350180 /nfs/dbraw/zinc/35/01/80/384350180.db2.gz FDRKSNWHUQKEOT-AATRIKPKSA-N 2 0 230.352 0.171 20 0 BCADRP C[NH+](C)CCCNC(=O)c1coc(C[NH3+])c1 ZINC000188024288 384355985 /nfs/dbraw/zinc/35/59/85/384355985.db2.gz GYQDJWKOMUZCOS-UHFFFAOYSA-N 2 0 225.292 0.420 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000335600046 384369198 /nfs/dbraw/zinc/36/91/98/384369198.db2.gz FLBRPQSEKICQQT-NWDGAFQWSA-N 2 0 239.363 0.666 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)O)[C@@H](C)C1 ZINC000222732817 384398383 /nfs/dbraw/zinc/39/83/83/384398383.db2.gz QCIBDOVOWLACPH-DCAQKATOSA-N 2 0 200.326 0.687 20 0 BCADRP C[NH2+]CCCC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000262676991 384404538 /nfs/dbraw/zinc/40/45/38/384404538.db2.gz SUIYMEZWKVNYPX-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP CNCc1noc(C2CCC([NH3+])CC2)n1 ZINC000647172824 384427058 /nfs/dbraw/zinc/42/70/58/384427058.db2.gz KKFMVUZLHMFUAC-UHFFFAOYSA-N 2 0 210.281 0.774 20 0 BCADRP CC(C)[C@@H](C(=O)N1CCC[NH2+]CC1)[C@H](C)[NH3+] ZINC000335603410 384375764 /nfs/dbraw/zinc/37/57/64/384375764.db2.gz HSCQFFCCSHMCCU-WDEREUQCSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000248847032 384380988 /nfs/dbraw/zinc/38/09/88/384380988.db2.gz ICSCAAHMFADXMH-DCAQKATOSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000335607762 384385896 /nfs/dbraw/zinc/38/58/96/384385896.db2.gz AKLZCFQQXUNZMT-DTWKUNHWSA-N 2 0 213.325 0.180 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H](C)[C@H](C)[NH3+])C1CC1 ZINC000248983191 384445562 /nfs/dbraw/zinc/44/55/62/384445562.db2.gz FXERRLMPWAGLDD-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648145234 384446124 /nfs/dbraw/zinc/44/61/24/384446124.db2.gz VBMMZCVLNUREPN-BIIVOSGPSA-N 2 0 235.278 0.083 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN(C(C)C)C1COC1 ZINC000566425957 384446768 /nfs/dbraw/zinc/44/67/68/384446768.db2.gz JOSXHPUVFRPFEG-LBPRGKRZSA-N 2 0 230.352 0.408 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648145429 384448599 /nfs/dbraw/zinc/44/85/99/384448599.db2.gz ROEUPIVLLDFJLA-ZYUZMQFOSA-N 2 0 213.325 0.179 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000565003868 384455471 /nfs/dbraw/zinc/45/54/71/384455471.db2.gz LNCYBWQWHOUDEJ-KXUCPTDWSA-N 2 0 215.341 0.617 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248631217 384434315 /nfs/dbraw/zinc/43/43/15/384434315.db2.gz PDUURGHFJVLASK-YFKTTZPYSA-N 2 0 239.363 0.556 20 0 BCADRP CC(=O)NC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000647514615 384436881 /nfs/dbraw/zinc/43/68/81/384436881.db2.gz WQYWMLKXVYDKBY-ZDUSSCGKSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000648144976 384437542 /nfs/dbraw/zinc/43/75/42/384437542.db2.gz TVOQCAJEOREWKB-NXEZZACHSA-N 2 0 247.342 0.335 20 0 BCADRP C[C@@H]1CC[N@H+](CCN2CC[NH2+]CC2)[C@H]1C ZINC000335653175 384439408 /nfs/dbraw/zinc/43/94/08/384439408.db2.gz WCIRDCCNTNBJFF-NEPJUHHUSA-N 2 0 211.353 0.622 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000648144977 384439721 /nfs/dbraw/zinc/43/97/21/384439721.db2.gz TVOQCAJEOREWKB-UWVGGRQHSA-N 2 0 247.342 0.335 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000648180463 384466443 /nfs/dbraw/zinc/46/64/43/384466443.db2.gz CIRBVFIIORSMFR-SECBINFHSA-N 2 0 223.320 0.269 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000648180464 384468249 /nfs/dbraw/zinc/46/82/49/384468249.db2.gz CIRBVFIIORSMFR-VIFPVBQESA-N 2 0 223.320 0.269 20 0 BCADRP C[NH2+]Cc1ccc(NC(=O)COCC[NH3+])cc1 ZINC000648146270 384473297 /nfs/dbraw/zinc/47/32/97/384473297.db2.gz YMWJDULUTBKHHV-UHFFFAOYSA-N 2 0 237.303 0.320 20 0 BCADRP C[NH+](C)CCNC(=O)CN1CC(C)(C)C1 ZINC000561070990 384474614 /nfs/dbraw/zinc/47/46/14/384474614.db2.gz VIQRTHAYGJXJGQ-UHFFFAOYSA-N 2 0 213.325 0.006 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCn1cccn1 ZINC000163726836 384498897 /nfs/dbraw/zinc/49/88/97/384498897.db2.gz OVYVEFKIJPVTPL-NEPJUHHUSA-N 2 0 222.336 0.990 20 0 BCADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648147017 384501347 /nfs/dbraw/zinc/50/13/47/384501347.db2.gz WLWYZDJRKDILAP-ITGUQSILSA-N 2 0 243.310 0.694 20 0 BCADRP CC[N@H+](CCN1CC[NH2+]CC1)CC(C)C ZINC000037482572 384502602 /nfs/dbraw/zinc/50/26/02/384502602.db2.gz LBWMYKDAAIPGJM-UHFFFAOYSA-N 2 0 213.369 0.870 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC(C)(C)C[NH+](C)C ZINC000037475758 384502651 /nfs/dbraw/zinc/50/26/51/384502651.db2.gz KBFWCPWAZOMGEC-SECBINFHSA-N 2 0 215.341 0.428 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000037484147 384505408 /nfs/dbraw/zinc/50/54/08/384505408.db2.gz ZPNTVKWFQUGPAH-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP COCCOCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400464265 533067995 /nfs/dbraw/zinc/06/79/95/533067995.db2.gz SLLQXJQSXFLEOJ-NWDGAFQWSA-N 2 0 230.352 0.770 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251642698 384489545 /nfs/dbraw/zinc/48/95/45/384489545.db2.gz SEPUZIDVGRGBDW-AXFHLTTASA-N 2 0 225.336 0.467 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368181492 384489602 /nfs/dbraw/zinc/48/96/02/384489602.db2.gz VOHHKVRNVWUMHX-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP COC(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397343504 384534066 /nfs/dbraw/zinc/53/40/66/384534066.db2.gz WVVZAQYKXPNVKZ-UTLUCORTSA-N 2 0 214.309 0.465 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)[C@@H]2C1 ZINC000648169116 384518215 /nfs/dbraw/zinc/51/82/15/384518215.db2.gz YEQXMUFETLDFFY-KIJLLGNVSA-N 2 0 249.358 0.004 20 0 BCADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[NH2+]C ZINC000249626303 384519274 /nfs/dbraw/zinc/51/92/74/384519274.db2.gz UCHSGKKDRQIREP-QWRGUYRKSA-N 2 0 225.336 0.291 20 0 BCADRP CN(C(=O)C[C@H]1CC[NH2+]C1)C1(C[NH3+])CCC1 ZINC000648147215 384520288 /nfs/dbraw/zinc/52/02/88/384520288.db2.gz FHZRAQMGKZVHIL-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP C(C[C@@H]1CCOC1)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400602316 384520919 /nfs/dbraw/zinc/52/09/19/384520919.db2.gz TWXJQQOYPMJJSN-JHJVBQTASA-N 2 0 224.348 0.954 20 0 BCADRP O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648147367 384525913 /nfs/dbraw/zinc/52/59/13/384525913.db2.gz QCAPBEYJWVFPQE-WYUUTHIRSA-N 2 0 237.347 0.100 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000236649851 384543768 /nfs/dbraw/zinc/54/37/68/384543768.db2.gz VUCFRUWGVVZNCW-GFCCVEGCSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)C(N)=O ZINC000183639418 384544143 /nfs/dbraw/zinc/54/41/43/384544143.db2.gz BZDPNFHLYPCUBC-GMTAPVOTSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000648177344 384544232 /nfs/dbraw/zinc/54/42/32/384544232.db2.gz UGJHFJLEILRCTC-VHSXEESVSA-N 2 0 227.352 0.476 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)C(C)(C)[NH3+] ZINC000236710851 384554625 /nfs/dbraw/zinc/55/46/25/384554625.db2.gz VMJCLJXFQGPROX-UHFFFAOYSA-N 2 0 215.341 0.572 20 0 BCADRP CN(C[C@@H](O)C[NH2+]CC1(CO)CCC1)C1CC1 ZINC000647523506 384554953 /nfs/dbraw/zinc/55/49/53/384554953.db2.gz RQHOOJHONNEOLM-LBPRGKRZSA-N 2 0 242.363 0.194 20 0 BCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CO[C@@H](C)C1 ZINC000647180998 384555349 /nfs/dbraw/zinc/55/53/49/384555349.db2.gz DUKOTVRNZLMSEY-FRRDWIJNSA-N 2 0 241.379 0.389 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc(C[NH3+])o1 ZINC000648177227 384539797 /nfs/dbraw/zinc/53/97/97/384539797.db2.gz NOMKWYLFIRUYKA-SNVBAGLBSA-N 2 0 239.319 0.842 20 0 BCADRP C[NH+](C)CCCNCc1ccc(C(N)=O)cc1 ZINC000020054178 384569499 /nfs/dbraw/zinc/56/94/99/384569499.db2.gz VBXHANPYYGJGMS-UHFFFAOYSA-N 2 0 235.331 0.827 20 0 BCADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH3+] ZINC000236753560 384570763 /nfs/dbraw/zinc/57/07/63/384570763.db2.gz UGVIWWGFIYIDOP-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000236842869 384590412 /nfs/dbraw/zinc/59/04/12/384590412.db2.gz MNIVHKJWTOONEC-LBPRGKRZSA-N 2 0 229.368 0.818 20 0 BCADRP C[C@H]1CCN(C(=O)[C@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000648177662 384574484 /nfs/dbraw/zinc/57/44/84/384574484.db2.gz MDBITOVOIIZNDV-HBNTYKKESA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000517932221 384577734 /nfs/dbraw/zinc/57/77/34/384577734.db2.gz HGLQMKIIGVPAJP-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000517932973 384582339 /nfs/dbraw/zinc/58/23/39/384582339.db2.gz ZNYSJAGGTHDYAX-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000085975862 384583439 /nfs/dbraw/zinc/58/34/39/384583439.db2.gz KRCJJIAHBZYZTD-AEJSXWLSSA-N 2 0 211.309 0.029 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000236837743 384588482 /nfs/dbraw/zinc/58/84/82/384588482.db2.gz GTMLFNUQUVWHDW-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000523663171 259654169 /nfs/dbraw/zinc/65/41/69/259654169.db2.gz RDXVEEMSLZWVKH-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[C@H]1C[NH3+] ZINC000648177804 384590290 /nfs/dbraw/zinc/59/02/90/384590290.db2.gz UVZLAVITPOJKOQ-OOCWMUITSA-N 2 0 237.347 0.180 20 0 BCADRP CN(C)C(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747061 384592642 /nfs/dbraw/zinc/59/26/42/384592642.db2.gz OTZDRQSWEKAPAS-FOSCPWQOSA-N 2 0 239.363 0.680 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000236845435 384596166 /nfs/dbraw/zinc/59/61/66/384596166.db2.gz SEPMCZYPCGWNOV-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP C[C@@H]1C[C@H](C)[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000157872440 384601112 /nfs/dbraw/zinc/60/11/12/384601112.db2.gz TXXCPWOVVMIACV-NEPJUHHUSA-N 2 0 211.353 0.622 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC1C[NH2+]C1 ZINC000646901666 384668204 /nfs/dbraw/zinc/66/82/04/384668204.db2.gz JILHVOHWVXYVBM-GFCCVEGCSA-N 2 0 233.315 0.330 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000042288187 384638312 /nfs/dbraw/zinc/63/83/12/384638312.db2.gz GCPFYBLAYINSJC-NSHDSACASA-N 2 0 221.304 0.021 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449084141 384639695 /nfs/dbraw/zinc/63/96/95/384639695.db2.gz FRMCKFZBDJPDGR-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C[NH3+] ZINC000335345309 384640767 /nfs/dbraw/zinc/64/07/67/384640767.db2.gz NTKAWKCKTGSOSG-VIFPVBQESA-N 2 0 213.325 0.134 20 0 BCADRP C(C1CC[NH2+]CC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647534045 384645388 /nfs/dbraw/zinc/64/53/88/384645388.db2.gz FKTPYXXGBGFUMF-CHWSQXEVSA-N 2 0 223.364 0.670 20 0 BCADRP [NH3+]CC1(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000647534330 384646649 /nfs/dbraw/zinc/64/66/49/384646649.db2.gz KVQYXONDKBLRKJ-WDEREUQCSA-N 2 0 209.337 0.409 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449595561 384652320 /nfs/dbraw/zinc/65/23/20/384652320.db2.gz UPIPMFDCNKRXJO-VGMNWLOBSA-N 2 0 201.314 0.212 20 0 BCADRP [NH3+][C@@H](CC(=O)NCC1C[NH2+]C1)c1ccccc1 ZINC000646901481 384652516 /nfs/dbraw/zinc/65/25/16/384652516.db2.gz AFZCADGRYJJDGL-LBPRGKRZSA-N 2 0 233.315 0.412 20 0 BCADRP [NH3+]C[C@@H](C(=O)NCC1C[NH2+]C1)c1ccccc1 ZINC000646901543 384652619 /nfs/dbraw/zinc/65/26/19/384652619.db2.gz DFWGIQXXFXJGBW-GFCCVEGCSA-N 2 0 233.315 0.065 20 0 BCADRP [NH3+]C[C@H](C(=O)NCC1C[NH2+]C1)c1ccccc1 ZINC000646901544 384652753 /nfs/dbraw/zinc/65/27/53/384652753.db2.gz DFWGIQXXFXJGBW-LBPRGKRZSA-N 2 0 233.315 0.065 20 0 BCADRP COCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086723752 384679683 /nfs/dbraw/zinc/67/96/83/384679683.db2.gz FFUIMDBCZVOUGE-UHFFFAOYSA-N 2 0 216.325 0.463 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C[C@H](C)[NH3+] ZINC000300359102 384684185 /nfs/dbraw/zinc/68/41/85/384684185.db2.gz MTNSINHKECHIKY-VHSXEESVSA-N 2 0 215.341 0.570 20 0 BCADRP COC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000300359982 384686630 /nfs/dbraw/zinc/68/66/30/384686630.db2.gz QVNOYBUESTUPKG-UTUOFQBUSA-N 2 0 230.352 0.720 20 0 BCADRP C[C@]1(CN2CC[C@H]3[NH2+]CC[C@H]3C2)CC[NH2+]C1 ZINC000647542285 384705932 /nfs/dbraw/zinc/70/59/32/384705932.db2.gz DRFHPAFWENVEOJ-XQQFMLRXSA-N 3 0 223.364 0.670 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000178838458 384709854 /nfs/dbraw/zinc/70/98/54/384709854.db2.gz SDBCGCNKARXOEA-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP C[C@H]1CN(Cc2cncn2C)CC[C@@H]1[NH3+] ZINC000086884197 384711263 /nfs/dbraw/zinc/71/12/63/384711263.db2.gz KRZXOXFHGNEYSS-ONGXEEELSA-N 2 0 208.309 0.589 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000236873141 384718879 /nfs/dbraw/zinc/71/88/79/384718879.db2.gz HIVPROXZAQFOSF-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000086932343 384722630 /nfs/dbraw/zinc/72/26/30/384722630.db2.gz MHILTEGARHRASF-LPEHRKFASA-N 2 0 211.309 0.029 20 0 BCADRP C[N@@H+]1CC[C@H](c2nc(C3([NH3+])CCC3)no2)C1 ZINC000518183949 384777405 /nfs/dbraw/zinc/77/74/05/384777405.db2.gz QZRQSJKZQOCXPF-QMMMGPOBSA-N 2 0 222.292 0.827 20 0 BCADRP CO[C@]1(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CCOC1 ZINC000359427336 384728342 /nfs/dbraw/zinc/72/83/42/384728342.db2.gz PGRYPESBZFOEHF-AGIUHOORSA-N 2 0 242.363 0.722 20 0 BCADRP NC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000647546222 384728971 /nfs/dbraw/zinc/72/89/71/384728971.db2.gz GBMZLJAFTWPZSD-LOWDOPEQSA-N 2 0 223.364 0.701 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000647546492 384729947 /nfs/dbraw/zinc/72/99/47/384729947.db2.gz MMEVEVGSJUUUQQ-QJPTWQEYSA-N 2 0 211.353 0.716 20 0 BCADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000647546420 384730958 /nfs/dbraw/zinc/73/09/58/384730958.db2.gz JLEPFRWRSXTKPY-XQHKEYJVSA-N 3 0 223.364 0.716 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](NC[C@H]2CCC[NH2+]C2)C1 ZINC000647546576 384734404 /nfs/dbraw/zinc/73/44/04/384734404.db2.gz PYRSJFSICPXPJC-SRVKXCTJSA-N 2 0 211.353 0.574 20 0 BCADRP C[C@@]1(CN[C@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000647547258 384735793 /nfs/dbraw/zinc/73/57/93/384735793.db2.gz TTZYRYSQRVKGMJ-NWDGAFQWSA-N 2 0 211.353 0.718 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000647547185 384736055 /nfs/dbraw/zinc/73/60/55/384736055.db2.gz QEHKQZYMGZCYFP-SDDRHHMPSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@H]1CNC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000647547019 384736394 /nfs/dbraw/zinc/73/63/94/384736394.db2.gz KXRBTOQLEMBYIU-VXGBXAGGSA-N 2 0 225.380 0.964 20 0 BCADRP C[C@@H]1CNC[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000647547018 384737027 /nfs/dbraw/zinc/73/70/27/384737027.db2.gz KXRBTOQLEMBYIU-RYUDHWBXSA-N 2 0 225.380 0.964 20 0 BCADRP C[C@]1(CN[C@@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000647547256 384737953 /nfs/dbraw/zinc/73/79/53/384737953.db2.gz TTZYRYSQRVKGMJ-NEPJUHHUSA-N 2 0 211.353 0.718 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647547116 384738144 /nfs/dbraw/zinc/73/81/44/384738144.db2.gz OHHIPMLNGUZNJW-RGDJUOJXSA-N 3 0 237.391 0.962 20 0 BCADRP COCCNCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647547446 384739724 /nfs/dbraw/zinc/73/97/24/384739724.db2.gz WYHKKXCTJCLIRL-JHJVBQTASA-N 2 0 241.379 0.200 20 0 BCADRP OCC1([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647548899 384740421 /nfs/dbraw/zinc/74/04/21/384740421.db2.gz ZYOFHIWVPXANIS-GARJFASQSA-N 2 0 210.321 0.489 20 0 BCADRP [NH3+]CC[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(F)F ZINC000647547442 384740780 /nfs/dbraw/zinc/74/07/80/384740780.db2.gz WUJKWDMASNELDX-ZDCRXTMVSA-N 2 0 247.333 0.947 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000647547909 384750619 /nfs/dbraw/zinc/75/06/19/384750619.db2.gz LDIWNUPNJMKGSZ-SDDRHHMPSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](NCCC[NH2+]C2CC2)C1 ZINC000647547920 384750655 /nfs/dbraw/zinc/75/06/55/384750655.db2.gz LIHQETLXYFTITM-JQWIXIFHSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H]1CNC[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000647548078 384751435 /nfs/dbraw/zinc/75/14/35/384751435.db2.gz USRXDWRQKSGOIO-NNYUYHANSA-N 2 0 211.353 0.701 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052881215 384752457 /nfs/dbraw/zinc/75/24/57/384752457.db2.gz QROIWQXQOXTOGA-AWEZNQCLSA-N 2 0 249.358 0.928 20 0 BCADRP OC[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000647551758 384754696 /nfs/dbraw/zinc/75/46/96/384754696.db2.gz JHHGAUCHRZYXOI-QWHCGFSZSA-N 2 0 242.363 0.363 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CCCC2 ZINC000357035927 384756857 /nfs/dbraw/zinc/75/68/57/384756857.db2.gz IXZXXWJTAZNQTF-GVXVVHGQSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc2cnccn12 ZINC000647552098 384758346 /nfs/dbraw/zinc/75/83/46/384758346.db2.gz FXZONGZDWISBEO-ZJUUUORDSA-N 2 0 233.319 0.945 20 0 BCADRP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000423210458 384761127 /nfs/dbraw/zinc/76/11/27/384761127.db2.gz WROGRXGKKZBOTJ-QWHCGFSZSA-N 2 0 223.364 0.670 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)C1([NH3+])CC1 ZINC000083355673 384761305 /nfs/dbraw/zinc/76/13/05/384761305.db2.gz XEVKMMHLJJNMPN-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP C[C@H](C[NH2+][C@H]1CCO[C@@H]1C)C[NH+](C)C ZINC000308575049 384823439 /nfs/dbraw/zinc/82/34/39/384823439.db2.gz MCWOREXRKRJMNR-MXWKQRLJSA-N 2 0 200.326 0.951 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)C[NH2+]C2CC2)cc1 ZINC000648202439 384825411 /nfs/dbraw/zinc/82/54/11/384825411.db2.gz QNCRRDZTOLUPDQ-UHFFFAOYSA-N 2 0 233.315 0.514 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)NCCC[NH2+]C1CC1 ZINC000648203507 384831283 /nfs/dbraw/zinc/83/12/83/384831283.db2.gz QTWLXSHPDNJYCF-NSHDSACASA-N 2 0 239.363 0.777 20 0 BCADRP CC1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[NH2+]C1 ZINC000335057579 384788245 /nfs/dbraw/zinc/78/82/45/384788245.db2.gz ITNHPRIXWLTERH-GHMZBOCLSA-N 2 0 237.347 0.339 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089361 384792084 /nfs/dbraw/zinc/79/20/84/384792084.db2.gz UOFYPLZWXIIIHA-MWLCHTKSSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CC1([NH3+])CCC1 ZINC000648188183 384800855 /nfs/dbraw/zinc/80/08/55/384800855.db2.gz XIXHHLRUKAXTMC-DTWKUNHWSA-N 2 0 213.325 0.500 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648190311 384803116 /nfs/dbraw/zinc/80/31/16/384803116.db2.gz QJJAKLMTFQWDPW-DJLDLDEBSA-N 2 0 249.305 0.473 20 0 BCADRP CC1(C)C(=O)NCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000335658175 384812123 /nfs/dbraw/zinc/81/21/23/384812123.db2.gz XJYZVMGMOJYDJV-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC1C[NH2+]C1 ZINC000646902663 384814678 /nfs/dbraw/zinc/81/46/78/384814678.db2.gz PVHLFTYEGGQADR-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@H](C(=O)NCC1C[NH2+]C1)c1ccccc1 ZINC000646902651 384814794 /nfs/dbraw/zinc/81/47/94/384814794.db2.gz OWBSKTLVVPSDLB-NSHDSACASA-N 2 0 219.288 0.022 20 0 BCADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC1C[NH2+]C1 ZINC000646902664 384815055 /nfs/dbraw/zinc/81/50/55/384815055.db2.gz PVHLFTYEGGQADR-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C[NH2+]C1CC1 ZINC000557190362 384873471 /nfs/dbraw/zinc/87/34/71/384873471.db2.gz MBUQXHCRWCRQEI-VIFPVBQESA-N 2 0 213.325 0.228 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449668853 384875349 /nfs/dbraw/zinc/87/53/49/384875349.db2.gz USIRTMIPCSVCRE-RKDXNWHRSA-N 2 0 249.305 0.488 20 0 BCADRP CCOCC[NH2+][C@@H]1CN(CC)C[C@@H]1C ZINC000308620243 384876258 /nfs/dbraw/zinc/87/62/58/384876258.db2.gz SVTCZLZNIUIIIO-WDEREUQCSA-N 2 0 200.326 0.953 20 0 BCADRP COc1nccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC000449288950 384883859 /nfs/dbraw/zinc/88/38/59/384883859.db2.gz PLKSOUZOXFSICY-PHIMTYICSA-N 2 0 248.330 0.479 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648205691 384841860 /nfs/dbraw/zinc/84/18/60/384841860.db2.gz LJJDAGFWTXWTRR-WDEREUQCSA-N 2 0 239.363 0.633 20 0 BCADRP CC[NH+](CC)CCNC(=O)c1c[nH+]ccc1N ZINC000126954558 384845222 /nfs/dbraw/zinc/84/52/22/384845222.db2.gz JYFVHMXBLVXMRU-UHFFFAOYSA-N 2 0 236.319 0.735 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000236934635 384851177 /nfs/dbraw/zinc/85/11/77/384851177.db2.gz FMZPHROJMMDADC-USWWRNFRSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648210254 384855539 /nfs/dbraw/zinc/85/55/39/384855539.db2.gz NQMSKZMDZLUOQB-ZJUUUORDSA-N 2 0 225.336 0.372 20 0 BCADRP Cn1ccc(C[NH2+]CCCC[NH+](C)C)n1 ZINC000112344344 384857434 /nfs/dbraw/zinc/85/74/34/384857434.db2.gz JDNMDIOVNGLARE-UHFFFAOYSA-N 2 0 210.325 0.852 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000364036092 384889122 /nfs/dbraw/zinc/88/91/22/384889122.db2.gz JZWXMWWRPDGMPI-NTZNESFSSA-N 2 0 239.363 0.857 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000647613733 384955458 /nfs/dbraw/zinc/95/54/58/384955458.db2.gz MYXGEFYTJXEYCL-GMTAPVOTSA-N 2 0 225.336 0.147 20 0 BCADRP CO[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H]1OC ZINC000234855611 384904532 /nfs/dbraw/zinc/90/45/32/384904532.db2.gz SSYPRMDQOYUCMQ-GRYCIOLGSA-N 2 0 228.336 0.332 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)CC1 ZINC000564941403 384908081 /nfs/dbraw/zinc/90/80/81/384908081.db2.gz RMJRMKBNAQIQHK-SNVBAGLBSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]C1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000647603264 384921056 /nfs/dbraw/zinc/92/10/56/384921056.db2.gz KZUGAGGAUYKUMX-VIFPVBQESA-N 2 0 247.289 0.181 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CCC([NH3+])CC2)CC[N@@H+]1C ZINC000647603385 384921275 /nfs/dbraw/zinc/92/12/75/384921275.db2.gz VXYYYLPWSKWPBK-MWLCHTKSSA-N 2 0 225.336 0.276 20 0 BCADRP CCCCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000644512511 384922798 /nfs/dbraw/zinc/92/27/98/384922798.db2.gz QATKJIHJOYVFDP-CYBMUJFWSA-N 2 0 243.395 0.375 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000257752898 384924998 /nfs/dbraw/zinc/92/49/98/384924998.db2.gz MMIDTTLSHLUKHS-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000257362116 384925431 /nfs/dbraw/zinc/92/54/31/384925431.db2.gz AEXFFJPCAWSWDI-ZDCRXTMVSA-N 2 0 223.320 0.077 20 0 BCADRP CCC[C@@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000644515663 384928973 /nfs/dbraw/zinc/92/89/73/384928973.db2.gz MYBGWODNXGLARF-OLZOCXBDSA-N 2 0 243.395 0.373 20 0 BCADRP CCc1nccn1[C@H](C)CC(=O)NCC[NH3+] ZINC000647605523 384929428 /nfs/dbraw/zinc/92/94/28/384929428.db2.gz QFPDBBUZXSQXNM-SECBINFHSA-N 2 0 224.308 0.472 20 0 BCADRP CCC[C@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000644515666 384930472 /nfs/dbraw/zinc/93/04/72/384930472.db2.gz MYBGWODNXGLARF-STQMWFEESA-N 2 0 243.395 0.373 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000226086314 384930568 /nfs/dbraw/zinc/93/05/68/384930568.db2.gz YRGDUHRTSZKUQO-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[C@@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000644515662 384930580 /nfs/dbraw/zinc/93/05/80/384930580.db2.gz MYBGWODNXGLARF-CHWSQXEVSA-N 2 0 243.395 0.373 20 0 BCADRP CN1CC[NH2+]C[C@H]1CNCc1ccc(F)cc1 ZINC000258818593 384940666 /nfs/dbraw/zinc/94/06/66/384940666.db2.gz CEFDCDQDTMZKOZ-ZDUSSCGKSA-N 2 0 237.322 0.819 20 0 BCADRP Cc1cccc(CNC[C@@H]2C[NH2+]CCN2C)c1 ZINC000258830738 384945620 /nfs/dbraw/zinc/94/56/20/384945620.db2.gz DCDPBXWOCDMMGM-AWEZNQCLSA-N 2 0 233.359 0.988 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CCC[NH2+]CC2)CC[N@@H+]1C ZINC000647615251 384968299 /nfs/dbraw/zinc/96/82/99/384968299.db2.gz YQPAMJCMXRJXOV-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](C)O)CC1 ZINC000644562765 384969457 /nfs/dbraw/zinc/96/94/57/384969457.db2.gz YMMHWCGAOSPSOK-CYBMUJFWSA-N 2 0 243.395 0.375 20 0 BCADRP CC[NH+](CC)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000557481185 384969557 /nfs/dbraw/zinc/96/95/57/384969557.db2.gz HPFNRPDJCAUFLY-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP CC(C)[C@@H](C[NH2+]C[C@@H](C)O)N1CC[NH+](C)CC1 ZINC000644563492 384970826 /nfs/dbraw/zinc/97/08/26/384970826.db2.gz RUSCEBYYUWKQIL-CHWSQXEVSA-N 2 0 243.395 0.229 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000564947720 384973014 /nfs/dbraw/zinc/97/30/14/384973014.db2.gz QHRZTUQFWWTCJK-JTQLQIEISA-N 2 0 225.336 0.313 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NC1CC[NH+](C)CC1 ZINC000165101347 384975190 /nfs/dbraw/zinc/97/51/90/384975190.db2.gz XQYGFVYQCUFAHS-DTWKUNHWSA-N 2 0 213.325 0.180 20 0 BCADRP O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)NC1CCCC1 ZINC000107578883 384982233 /nfs/dbraw/zinc/98/22/33/384982233.db2.gz LGARYEXFVRUYPM-PHIMTYICSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H](CC(=O)NCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000087973445 384985549 /nfs/dbraw/zinc/98/55/49/384985549.db2.gz ZQTFSXVAXXSZDP-VHSXEESVSA-N 2 0 213.325 0.087 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000648148459 384993096 /nfs/dbraw/zinc/99/30/96/384993096.db2.gz IDQRAZSVWWWGIE-MRVPVSSYSA-N 2 0 213.325 0.371 20 0 BCADRP CCCCNC(=O)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000310337599 384994599 /nfs/dbraw/zinc/99/45/99/384994599.db2.gz NENBILQDITWMAM-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000648148421 384995119 /nfs/dbraw/zinc/99/51/19/384995119.db2.gz FHRIXNQYZYFIAP-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000156915824 385022485 /nfs/dbraw/zinc/02/24/85/385022485.db2.gz VZARLHDVIPQDNU-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]CC1CC[NH+](C)CC1 ZINC000129358322 384997905 /nfs/dbraw/zinc/99/79/05/384997905.db2.gz PQJVRLREEWYBHD-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC[N@@H+]1C ZINC000648148569 385001653 /nfs/dbraw/zinc/00/16/53/385001653.db2.gz PNJFAKWKLFDGNI-DDHJBXDOSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]1C[N@H+](C)CCN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000310353751 385002343 /nfs/dbraw/zinc/00/23/43/385002343.db2.gz QEHAVJJDKOLIPP-AAEUAGOBSA-N 2 0 241.379 0.077 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)[N@H+](C)C1CC1 ZINC000226398689 385007645 /nfs/dbraw/zinc/00/76/45/385007645.db2.gz NXFLQGNHFNVOAH-JQWIXIFHSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)[N@H+](C)C1CC1 ZINC000226398333 385008481 /nfs/dbraw/zinc/00/84/81/385008481.db2.gz NXFLQGNHFNVOAH-CMPLNLGQSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000226398805 385008686 /nfs/dbraw/zinc/00/86/86/385008686.db2.gz ZGOLJVGELNXKHG-GWCFXTLKSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[N@H+](CC)C1CC1 ZINC000226398091 385009288 /nfs/dbraw/zinc/00/92/88/385009288.db2.gz RGZVHDIDRCORHI-ZYHUDNBSSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000648148610 385009519 /nfs/dbraw/zinc/00/95/19/385009519.db2.gz ROKPEOJUBMMNQI-SECBINFHSA-N 2 0 227.352 0.761 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000226396826 385009476 /nfs/dbraw/zinc/00/94/76/385009476.db2.gz PTMDGJNBUHZJNS-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+]CC1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000518376521 385011814 /nfs/dbraw/zinc/01/18/14/385011814.db2.gz WBFNJFMWDIMIGH-CYBMUJFWSA-N 2 0 242.363 0.853 20 0 BCADRP O[C@H](C[NH2+][C@H]1CCn2ccnc2C1)C(F)(F)F ZINC000644625775 385019833 /nfs/dbraw/zinc/01/98/33/385019833.db2.gz SCPBDUUYESZXPX-JGVFFNPUSA-N 2 0 249.236 0.711 20 0 BCADRP O[C@H](C[NH2+][C@@H]1CCn2ccnc2C1)C(F)(F)F ZINC000644625774 385019940 /nfs/dbraw/zinc/01/99/40/385019940.db2.gz SCPBDUUYESZXPX-HTQZYQBOSA-N 2 0 249.236 0.711 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226741924 385047722 /nfs/dbraw/zinc/04/77/22/385047722.db2.gz ZQZRPYIDITVDRC-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000564949914 385057423 /nfs/dbraw/zinc/05/74/23/385057423.db2.gz OKAJMEMPXJGZBB-QWRGUYRKSA-N 2 0 227.352 0.490 20 0 BCADRP Cn1cc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cn1 ZINC000404789180 385061415 /nfs/dbraw/zinc/06/14/15/385061415.db2.gz QQLKULBHRSIFSB-GHMZBOCLSA-N 2 0 222.336 0.678 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H](C)C[NH2+]C ZINC000449118083 385061616 /nfs/dbraw/zinc/06/16/16/385061616.db2.gz WSTHSOVCSVACNR-UWVGGRQHSA-N 2 0 215.341 0.346 20 0 BCADRP CC[C@@H](C(=O)N1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000189021675 385065740 /nfs/dbraw/zinc/06/57/40/385065740.db2.gz AMFJPGXWRVUKLI-ZJUUUORDSA-N 2 0 213.325 0.147 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648165749 385066544 /nfs/dbraw/zinc/06/65/44/385066544.db2.gz ARIVOACSUSZOGV-GDNZZTSVSA-N 2 0 237.347 0.004 20 0 BCADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCOCC[NH3+] ZINC000336671094 385069840 /nfs/dbraw/zinc/06/98/40/385069840.db2.gz NQMRFLUZWDNDNM-LLVKDONJSA-N 3 0 217.357 0.267 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000646941367 385071080 /nfs/dbraw/zinc/07/10/80/385071080.db2.gz YMXAJBGGFIXGSS-NWDGAFQWSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@H](N[C@H]1C[C@H]([NH3+])C1(C)C)C(=O)N(C)C ZINC000404800932 385076948 /nfs/dbraw/zinc/07/69/48/385076948.db2.gz ACIOGNVRLVMBGF-CIUDSAMLSA-N 2 0 213.325 0.179 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000646945891 385080878 /nfs/dbraw/zinc/08/08/78/385080878.db2.gz NJGCCWOZRMJORM-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000646945894 385081679 /nfs/dbraw/zinc/08/16/79/385081679.db2.gz NJGCCWOZRMJORM-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646945278 385081999 /nfs/dbraw/zinc/08/19/99/385081999.db2.gz HRKFAFJMLLUFRS-ADEWGFFLSA-N 2 0 239.363 0.476 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)[C@@H]3CC[NH2+]C3)[C@H]2C1 ZINC000564931631 385082263 /nfs/dbraw/zinc/08/22/63/385082263.db2.gz JVKNFRXJFDQDJP-TUAOUCFPSA-N 2 0 237.347 0.149 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000152246376 385029937 /nfs/dbraw/zinc/02/99/37/385029937.db2.gz HQUHQTXAZCJFIZ-ZDUSSCGKSA-N 2 0 239.363 0.444 20 0 BCADRP CC[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000308764101 385083162 /nfs/dbraw/zinc/08/31/62/385083162.db2.gz ZOOPTECBLOQZNN-JTQLQIEISA-N 2 0 200.326 0.831 20 0 BCADRP C[N@@H+](Cc1cnccn1)CC1CC[NH2+]CC1 ZINC000086703066 385040733 /nfs/dbraw/zinc/04/07/33/385040733.db2.gz NCWZPYYOARHFKZ-UHFFFAOYSA-N 2 0 220.320 0.908 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000530836244 385108725 /nfs/dbraw/zinc/10/87/25/385108725.db2.gz NQQUHRLEZOBILZ-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646985171 385110834 /nfs/dbraw/zinc/11/08/34/385110834.db2.gz RBPRHVJQTJQKFV-WOPDTQHZSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+]CC1(CC(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000646985229 385111096 /nfs/dbraw/zinc/11/10/96/385111096.db2.gz UCYRQPGRMQUIBQ-SNVBAGLBSA-N 2 0 225.336 0.374 20 0 BCADRP [NH3+][C@H](C(=O)N[C@@H]1CCC[NH2+]CC1)C1CCC1 ZINC000646985255 385111936 /nfs/dbraw/zinc/11/19/36/385111936.db2.gz VIDZKSLIMPXVOL-MNOVXSKESA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000646989802 385117950 /nfs/dbraw/zinc/11/79/50/385117950.db2.gz OVXQMYWPZOJUBR-MRVPVSSYSA-N 2 0 219.288 0.253 20 0 BCADRP [NH3+]C1(CC(=O)N[C@H]2CCC[NH2+]CC2)CCC1 ZINC000646988646 385119957 /nfs/dbraw/zinc/11/99/57/385119957.db2.gz WFCVDKFNBUHMMW-JTQLQIEISA-N 2 0 225.336 0.516 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646988418 385120864 /nfs/dbraw/zinc/12/08/64/385120864.db2.gz PBPHBWOQKLNEDF-ZJUUUORDSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)C1C[NH2+]C1 ZINC000164625227 385122897 /nfs/dbraw/zinc/12/28/97/385122897.db2.gz NCWAWMUEDQAAQF-ZYHUDNBSSA-N 2 0 239.363 0.395 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000646995770 385123016 /nfs/dbraw/zinc/12/30/16/385123016.db2.gz PXYHOHRDCNTBIL-QWRGUYRKSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]([NH3+])CN1CC[NH+](C2CCCC2)CC1 ZINC000052061181 385124940 /nfs/dbraw/zinc/12/49/40/385124940.db2.gz JEUYGQYDGRGZJD-NSHDSACASA-N 2 0 211.353 0.894 20 0 BCADRP CC1([NH3+])CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000646991785 385125226 /nfs/dbraw/zinc/12/52/26/385125226.db2.gz NSQDFKFIWLHIEO-GHMZBOCLSA-N 2 0 239.363 0.844 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC(C)([NH3+])CC1 ZINC000646991702 385125653 /nfs/dbraw/zinc/12/56/53/385125653.db2.gz KPNRNMCDCSLYKO-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)[NH+](C)C ZINC000061612327 385126282 /nfs/dbraw/zinc/12/62/82/385126282.db2.gz RKICKXZXDBQDNA-DGCLKSJQSA-N 2 0 249.358 0.795 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000566246842 385142099 /nfs/dbraw/zinc/14/20/99/385142099.db2.gz GSCKEXYBAOFWQD-VLEAKVRGSA-N 2 0 227.352 0.556 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061610895 385127170 /nfs/dbraw/zinc/12/71/70/385127170.db2.gz GKIRDGFRYGYFKH-CYBMUJFWSA-N 2 0 249.358 0.797 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccn1 ZINC000646998088 385127786 /nfs/dbraw/zinc/12/77/86/385127786.db2.gz IQDBIUXNLVCKHI-MNOVXSKESA-N 2 0 248.330 0.540 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000310587434 385127774 /nfs/dbraw/zinc/12/77/74/385127774.db2.gz WLSYDGADJPTHFJ-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC000646998089 385128615 /nfs/dbraw/zinc/12/86/15/385128615.db2.gz IQDBIUXNLVCKHI-QWRGUYRKSA-N 2 0 248.330 0.540 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000646998179 385131773 /nfs/dbraw/zinc/13/17/73/385131773.db2.gz TURFOHNDNJAJON-HBNTYKKESA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000646998177 385132228 /nfs/dbraw/zinc/13/22/28/385132228.db2.gz TURFOHNDNJAJON-AXFHLTTASA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH3+] ZINC000647009790 385133540 /nfs/dbraw/zinc/13/35/40/385133540.db2.gz IYRRTQRTTOUAAZ-RYUDHWBXSA-N 2 0 241.379 0.912 20 0 BCADRP COCCOCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404887996 385138414 /nfs/dbraw/zinc/13/84/14/385138414.db2.gz JRULVOSNHZZWDG-ZJUUUORDSA-N 2 0 216.325 0.365 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000647001748 385138369 /nfs/dbraw/zinc/13/83/69/385138369.db2.gz UPZHEKNMAPJAMQ-OUAUKWLOSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H](CN1CCOCC1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000566246435 385138792 /nfs/dbraw/zinc/13/87/92/385138792.db2.gz ZYTPYHDDSHWDSH-UPJWGTAASA-N 2 0 241.379 0.376 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)CC[C@@H]1[NH3+] ZINC000647015037 385139457 /nfs/dbraw/zinc/13/94/57/385139457.db2.gz FWPNTEZBARMFRR-OUAUKWLOSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@]2(C)CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647014942 385139958 /nfs/dbraw/zinc/13/99/58/385139958.db2.gz DECBJGLALCWERW-MDZLAQPJSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@]2(C)CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647014944 385139994 /nfs/dbraw/zinc/13/99/94/385139994.db2.gz DECBJGLALCWERW-NTZNESFSSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC[C@H]1[NH3+] ZINC000647015246 385140234 /nfs/dbraw/zinc/14/02/34/385140234.db2.gz LDCWXVAFNMMSAM-GWOFURMSSA-N 2 0 227.352 0.556 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647015054 385140431 /nfs/dbraw/zinc/14/04/31/385140431.db2.gz GIHQROAUJUGOMJ-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000646965994 385091103 /nfs/dbraw/zinc/09/11/03/385091103.db2.gz QZADYSRTUYDFGA-PWSUYJOCSA-N 2 0 227.352 0.620 20 0 BCADRP CC1(CNC(=O)C[C@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC000646963640 385091346 /nfs/dbraw/zinc/09/13/46/385091346.db2.gz MZJPUPWBSQGWPS-LLVKDONJSA-N 2 0 239.363 0.492 20 0 BCADRP C[NH+](C)CCC1CC[NH+](CCO)CC1 ZINC000177735375 385092379 /nfs/dbraw/zinc/09/23/79/385092379.db2.gz FRDHROVLVXYMHO-UHFFFAOYSA-N 2 0 200.326 0.642 20 0 BCADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCC(=O)NC)C1 ZINC000559642315 385100759 /nfs/dbraw/zinc/10/07/59/385100759.db2.gz WWFZHXFDUUDBMX-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000646974938 385103309 /nfs/dbraw/zinc/10/33/09/385103309.db2.gz NPXYGGRGDUOQNF-NSHDSACASA-N 2 0 235.287 0.072 20 0 BCADRP [NH3+]C1(c2noc(C[C@@H]3CC[NH2+]C3)n2)CCCC1 ZINC000647137449 385103541 /nfs/dbraw/zinc/10/35/41/385103541.db2.gz FHOLPNBDCPCKGC-VIFPVBQESA-N 2 0 236.319 0.950 20 0 BCADRP [NH3+]C1(CC(=O)NCC2=CC[NH2+]CC2)CCC1 ZINC000646976380 385105541 /nfs/dbraw/zinc/10/55/41/385105541.db2.gz FNWLSHWFBGGSDZ-UHFFFAOYSA-N 2 0 223.320 0.294 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000646976694 385105555 /nfs/dbraw/zinc/10/55/55/385105555.db2.gz DIIQBKLVUCZOAC-ONGXEEELSA-N 2 0 223.320 0.020 20 0 BCADRP C[C@@H]([NH3+])CC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000647049788 385187547 /nfs/dbraw/zinc/18/75/47/385187547.db2.gz FWVNWGFLJQUSMR-SECBINFHSA-N 2 0 249.314 0.844 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647051083 385187897 /nfs/dbraw/zinc/18/78/97/385187897.db2.gz VPTQDDCKNRTXBK-PKZYVASSSA-N 2 0 239.363 0.474 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C[NH2+]C)C1 ZINC000246545012 385191217 /nfs/dbraw/zinc/19/12/17/385191217.db2.gz SPQPQRHEZKMQRB-VXGBXAGGSA-N 2 0 241.379 0.642 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647054858 385192274 /nfs/dbraw/zinc/19/22/74/385192274.db2.gz ARCHLUQGBIUAMX-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647055142 385195140 /nfs/dbraw/zinc/19/51/40/385195140.db2.gz NBKJBXKRNHTGRC-JTQLQIEISA-N 2 0 225.336 0.244 20 0 BCADRP C[C@@H](Cn1ccnc1)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062891434 385196001 /nfs/dbraw/zinc/19/60/01/385196001.db2.gz OWMDDPWFIOMYIH-CMPLNLGQSA-N 2 0 236.319 0.387 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973196 385199140 /nfs/dbraw/zinc/19/91/40/385199140.db2.gz GIZJKDOPRBUTCK-MNOVXSKESA-N 2 0 225.336 0.278 20 0 BCADRP C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000062964615 385199196 /nfs/dbraw/zinc/19/91/96/385199196.db2.gz QXOJLBIVVAQDPR-CYBMUJFWSA-N 2 0 247.342 0.921 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC[NH2+]1 ZINC000647018266 385143447 /nfs/dbraw/zinc/14/34/47/385143447.db2.gz XXISXMFDCGHXAC-DCQANWLSSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC[NH2+]1 ZINC000647018268 385143813 /nfs/dbraw/zinc/14/38/13/385143813.db2.gz XXISXMFDCGHXAC-PRULPYPASA-N 2 0 237.347 0.243 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000647020798 385148904 /nfs/dbraw/zinc/14/89/04/385148904.db2.gz MVPATAPCZLIGKR-ONGXEEELSA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@H](C)[NH3+])[C@@H](C)[NH3+] ZINC000647020864 385149460 /nfs/dbraw/zinc/14/94/60/385149460.db2.gz PSVWYEYQWKTGTA-DJLDLDEBSA-N 2 0 201.314 0.069 20 0 BCADRP C[C@H]([NH3+])CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000647022760 385155596 /nfs/dbraw/zinc/15/55/96/385155596.db2.gz DUJRJFCODSDYKX-ONGXEEELSA-N 2 0 221.304 0.540 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000647023253 385155894 /nfs/dbraw/zinc/15/58/94/385155894.db2.gz UZERCWFLRLEGIP-MRVPVSSYSA-N 2 0 219.288 0.367 20 0 BCADRP CC(C)[NH+](CCCNC(=O)[C@H](C)[NH3+])C(C)C ZINC000157386676 385159026 /nfs/dbraw/zinc/15/90/26/385159026.db2.gz BXANHOKSZGUUJN-NSHDSACASA-N 2 0 229.368 0.959 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000647026441 385161068 /nfs/dbraw/zinc/16/10/68/385161068.db2.gz WEYDSKWBQNQYFT-GHMZBOCLSA-N 2 0 227.352 0.557 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000647030174 385162591 /nfs/dbraw/zinc/16/25/91/385162591.db2.gz GWSUIFHFHBDFDP-CMPLNLGQSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000647030210 385163177 /nfs/dbraw/zinc/16/31/77/385163177.db2.gz JBSKSOXJCQRZIC-AAEUAGOBSA-N 2 0 239.363 0.716 20 0 BCADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC000336357285 385165137 /nfs/dbraw/zinc/16/51/37/385165137.db2.gz YLNDTNQTATUXGY-LLVKDONJSA-N 2 0 239.363 0.491 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CC1(C[NH3+])CC1 ZINC000647034458 385170465 /nfs/dbraw/zinc/17/04/65/385170465.db2.gz RRJNZOXEBZWYJV-UWVGGRQHSA-N 2 0 243.326 0.274 20 0 BCADRP C[C@@H](C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)[NH+](C)C ZINC000647034764 385170849 /nfs/dbraw/zinc/17/08/49/385170849.db2.gz XDYJGOLORQPJSJ-AAEUAGOBSA-N 2 0 239.363 0.491 20 0 BCADRP COC[C@@]1(CNC(=O)CCCC[NH3+])CCC[NH2+]1 ZINC000647042089 385178643 /nfs/dbraw/zinc/17/86/43/385178643.db2.gz NIHVKLDBUGVTLO-LBPRGKRZSA-N 2 0 243.351 0.000 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)CC(C)(C)[NH3+] ZINC000647064689 385208893 /nfs/dbraw/zinc/20/88/93/385208893.db2.gz PPNMLWHDFDUKPR-QMMMGPOBSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000647064712 385209006 /nfs/dbraw/zinc/20/90/06/385209006.db2.gz SADWUYVREZMLRB-GXSJLCMTSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]1)[C@H](C)[NH3+] ZINC000647067386 385209025 /nfs/dbraw/zinc/20/90/25/385209025.db2.gz IZDDQYOXPXKDEN-AEJSXWLSSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000647064408 385210686 /nfs/dbraw/zinc/21/06/86/385210686.db2.gz PPMLUKUKZOQKGL-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000308849319 385211205 /nfs/dbraw/zinc/21/12/05/385211205.db2.gz QPXYRKNSYMFZMT-SSDOTTSWSA-N 2 0 223.267 0.037 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000647071079 385217330 /nfs/dbraw/zinc/21/73/30/385217330.db2.gz QQJCITUPNKSPOA-HRDYMLBCSA-N 2 0 249.305 0.473 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCn1ccnc1 ZINC000252714115 385221640 /nfs/dbraw/zinc/22/16/40/385221640.db2.gz RAIPGGPAACBXRA-VXGBXAGGSA-N 2 0 222.336 0.813 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)NCCC[C@H]1CCC[NH2+]1 ZINC000647077238 385231052 /nfs/dbraw/zinc/23/10/52/385231052.db2.gz AYPOSRUTORTERS-VXGBXAGGSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]1C(=O)NCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000157616675 385233534 /nfs/dbraw/zinc/23/35/34/385233534.db2.gz JZLWRTDFXGDOKB-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H]1C(=O)NCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000157616818 385235724 /nfs/dbraw/zinc/23/57/24/385235724.db2.gz JZLWRTDFXGDOKB-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)[C@@H]2C1 ZINC000569124522 385240658 /nfs/dbraw/zinc/24/06/58/385240658.db2.gz SJMYKKQYBBYCML-NNYUYHANSA-N 2 0 237.347 0.276 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000647081162 385241270 /nfs/dbraw/zinc/24/12/70/385241270.db2.gz MLZGNXQIOCLVRA-GHMZBOCLSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000364197751 385242530 /nfs/dbraw/zinc/24/25/30/385242530.db2.gz WGYNSLZUNFDUPW-FIQHERPVSA-N 2 0 237.347 0.467 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000647082836 385242776 /nfs/dbraw/zinc/24/27/76/385242776.db2.gz NMYIYQBXFPMBFJ-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000647082975 385243170 /nfs/dbraw/zinc/24/31/70/385243170.db2.gz XNUJWQMSUVPFIO-OPRDCNLKSA-N 2 0 225.336 0.228 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000647090299 385257601 /nfs/dbraw/zinc/25/76/01/385257601.db2.gz JJAXVGMTPZHLJW-ZYHUDNBSSA-N 2 0 225.336 0.054 20 0 BCADRP CCN1CCC([NH2+][C@@H](CO)[C@H]2CCCO2)CC1 ZINC000448267735 385243990 /nfs/dbraw/zinc/24/39/90/385243990.db2.gz OENHFWZLJDOVRF-QWHCGFSZSA-N 2 0 242.363 0.600 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000647084369 385245696 /nfs/dbraw/zinc/24/56/96/385245696.db2.gz SMWOWCFHVNPXNS-CMPLNLGQSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000647083336 385247086 /nfs/dbraw/zinc/24/70/86/385247086.db2.gz WOBBLDCXTCZECW-GRYCIOLGSA-N 2 0 239.363 0.762 20 0 BCADRP CN(C(=O)c1ccc(C[NH3+])o1)[C@@H](C[NH3+])C1CC1 ZINC000647085474 385250191 /nfs/dbraw/zinc/25/01/91/385250191.db2.gz CQUMGELMSYOXPQ-JTQLQIEISA-N 2 0 237.303 0.548 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058254 385203646 /nfs/dbraw/zinc/20/36/46/385203646.db2.gz YWVFNPHCEIIABB-DCAQKATOSA-N 2 0 243.326 0.335 20 0 BCADRP [NH3+]CC1(C(=O)N2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000157926345 385312432 /nfs/dbraw/zinc/31/24/32/385312432.db2.gz PTOGOSDMDAJANS-SNVBAGLBSA-N 2 0 225.336 0.455 20 0 BCADRP C[NH+]1CCC(NC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000037887372 385320887 /nfs/dbraw/zinc/32/08/87/385320887.db2.gz ANYBVQLMLNVZLW-CYBMUJFWSA-N 2 0 241.379 0.127 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000647095505 385267063 /nfs/dbraw/zinc/26/70/63/385267063.db2.gz JPBCYXZBLBEBEP-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCC[NH3+])C1 ZINC000237045326 385276455 /nfs/dbraw/zinc/27/64/55/385276455.db2.gz KVUZQEROKHXECH-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH3+])C1)[NH+](C)C ZINC000157804101 385287524 /nfs/dbraw/zinc/28/75/24/385287524.db2.gz NBTGIKMMBQHYPW-QWRGUYRKSA-N 2 0 227.352 0.522 20 0 BCADRP C[NH2+][C@H](C)Cc1noc(C2([NH3+])CCCC2)n1 ZINC000647141966 385292828 /nfs/dbraw/zinc/29/28/28/385292828.db2.gz APYOSJZHYAVRHA-MRVPVSSYSA-N 2 0 224.308 0.948 20 0 BCADRP [NH3+][C@@H]1CCC[C@]12CCN(C(=O)[C@H]1CC[NH2+]C1)C2 ZINC000364251565 385295427 /nfs/dbraw/zinc/29/54/27/385295427.db2.gz BJAVQWPAJUDFGU-DMDPSCGWSA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)[C@H]1CC[NH2+]C1)C2 ZINC000364251566 385295696 /nfs/dbraw/zinc/29/56/96/385295696.db2.gz BJAVQWPAJUDFGU-LOWVWBTDSA-N 2 0 237.347 0.326 20 0 BCADRP COCC(C)(C)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647492519 385298517 /nfs/dbraw/zinc/29/85/17/385298517.db2.gz GWXDGJDBZRZWNH-UHFFFAOYSA-N 2 0 243.395 0.496 20 0 BCADRP C[C@@H]1CCC[N@H+](CCNC(=O)CC[NH3+])C1 ZINC000164997523 385335212 /nfs/dbraw/zinc/33/52/12/385335212.db2.gz UJFVDJDDAXPZPY-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000643973994 385336680 /nfs/dbraw/zinc/33/66/80/385336680.db2.gz QTQXHLCFWJJPTR-DTWKUNHWSA-N 2 0 247.289 0.181 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N(C)CCC[NH2+]C ZINC000168073943 385348295 /nfs/dbraw/zinc/34/82/95/385348295.db2.gz XJYHCWMTJPSCQX-UHFFFAOYSA-N 2 0 229.368 0.819 20 0 BCADRP CC(C)[N@H+](C)CCN[C@H]1C[NH+](C)C[C@H]1C ZINC000309011688 385359552 /nfs/dbraw/zinc/35/95/52/385359552.db2.gz SAEWCUNGVXUYQG-NEPJUHHUSA-N 2 0 213.369 0.866 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000131827578 385361711 /nfs/dbraw/zinc/36/17/11/385361711.db2.gz SRYYSXFVJOQQTI-STQMWFEESA-N 2 0 247.342 0.802 20 0 BCADRP C[NH2+]Cc1ccccc1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647657199 385363197 /nfs/dbraw/zinc/36/31/97/385363197.db2.gz SCGNMCZKQCVHQT-PJXYFTJBSA-N 2 0 245.326 0.810 20 0 BCADRP [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178406531 385367467 /nfs/dbraw/zinc/36/74/67/385367467.db2.gz GZQSHSCCIZROTM-CHWSQXEVSA-N 2 0 247.342 0.425 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)c1ccc2nccn2c1 ZINC000179170388 385371398 /nfs/dbraw/zinc/37/13/98/385371398.db2.gz ZWIZZOXWSKVNEZ-SNVBAGLBSA-N 2 0 246.314 0.920 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCCOCCO)CC[N@@H+]1C ZINC000180241467 385387950 /nfs/dbraw/zinc/38/79/50/385387950.db2.gz RBOUBLHANVZIKD-NWDGAFQWSA-N 2 0 230.352 0.458 20 0 BCADRP CC[C@H](O)C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000309041740 385387999 /nfs/dbraw/zinc/38/79/99/385387999.db2.gz LPYPRLRBRDIPQP-ADEWGFFLSA-N 2 0 212.337 0.830 20 0 BCADRP CO[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000400151183 385327294 /nfs/dbraw/zinc/32/72/94/385327294.db2.gz QKQGKGQFUKMCMH-SDDRHHMPSA-N 2 0 210.321 0.563 20 0 BCADRP CC[C@@H]1CN(CC2(C[NH3+])CC2)CC[C@H]1[NH3+] ZINC000647497404 385406075 /nfs/dbraw/zinc/40/60/75/385406075.db2.gz GRXQPIVHRYNQAK-GHMZBOCLSA-N 2 0 211.353 0.785 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000644065953 385412995 /nfs/dbraw/zinc/41/29/95/385412995.db2.gz ZEWGQWVQNATJAY-OUAUKWLOSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)C[NH+](C)C)C[C@H]1C[NH3+] ZINC000397254875 385415548 /nfs/dbraw/zinc/41/55/48/385415548.db2.gz QPOOXPMLEBXGGG-GMTAPVOTSA-N 2 0 227.352 0.380 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000644081806 385426367 /nfs/dbraw/zinc/42/63/67/385426367.db2.gz BQKSOBIFXHOOKG-VHSXEESVSA-N 2 0 225.336 0.324 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000644078912 385421531 /nfs/dbraw/zinc/42/15/31/385421531.db2.gz UILGNPMSZQVLHX-ZJUUUORDSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCN1CCC1 ZINC000309162410 385442864 /nfs/dbraw/zinc/44/28/64/385442864.db2.gz ZOOGRNHAXVAKBR-RYUDHWBXSA-N 2 0 211.353 0.622 20 0 BCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000170786960 385445699 /nfs/dbraw/zinc/44/56/99/385445699.db2.gz UNLCLHFFUMZYRM-OLZOCXBDSA-N 2 0 247.342 0.506 20 0 BCADRP C[C@H](NC(=O)CC1(C[NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC000644082433 385428519 /nfs/dbraw/zinc/42/85/19/385428519.db2.gz TUXMWXNKJGGBBW-WDEREUQCSA-N 2 0 239.363 0.620 20 0 BCADRP CCCN(C(=O)[C@H]1[NH2+]CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000644085361 385430785 /nfs/dbraw/zinc/43/07/85/385430785.db2.gz XYDUNQSJJDJYJX-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP CCCN(C(=O)[C@H]1[NH2+]CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000644085364 385431006 /nfs/dbraw/zinc/43/10/06/385431006.db2.gz XYDUNQSJJDJYJX-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1C[NH2+]CCC1(F)F ZINC000644083137 385431785 /nfs/dbraw/zinc/43/17/85/385431785.db2.gz VFPNGFWYFDQCSK-IUCAKERBSA-N 2 0 247.289 0.099 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]1)[C@H]1C[NH2+]CCC1(F)F ZINC000644083138 385432528 /nfs/dbraw/zinc/43/25/28/385432528.db2.gz VFPNGFWYFDQCSK-RKDXNWHRSA-N 2 0 247.289 0.099 20 0 BCADRP CC[NH+](CC)CC(=O)NCCC[NH2+]C ZINC000120999251 385457429 /nfs/dbraw/zinc/45/74/29/385457429.db2.gz CWMSXTNEXBKDKO-UHFFFAOYSA-N 2 0 201.314 0.054 20 0 BCADRP C[C@](C[NH3+])(NC(=O)c1ccnc(C[NH3+])c1)C1CC1 ZINC000644087799 385435993 /nfs/dbraw/zinc/43/59/93/385435993.db2.gz VLDFPNRPEXNELG-CYBMUJFWSA-N 2 0 248.330 0.398 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000257698330 385488068 /nfs/dbraw/zinc/48/80/68/385488068.db2.gz NNJYCXGRGOTARH-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP C[NH+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000171179618 385471384 /nfs/dbraw/zinc/47/13/84/385471384.db2.gz ISHOJRWCDVXJRX-ZDUSSCGKSA-N 2 0 249.358 0.967 20 0 BCADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCCO1 ZINC000309201039 385475662 /nfs/dbraw/zinc/47/56/62/385475662.db2.gz AIWBQTATCFBJJS-NEPJUHHUSA-N 2 0 230.352 0.722 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364564424 385476167 /nfs/dbraw/zinc/47/61/67/385476167.db2.gz XCVPWJNIAFNZHT-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000364561431 385477128 /nfs/dbraw/zinc/47/71/28/385477128.db2.gz NWFYHTHLJNSLMM-LSCVPOLPSA-N 2 0 239.363 0.985 20 0 BCADRP Cc1cnn(CC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000335919018 385477796 /nfs/dbraw/zinc/47/77/96/385477796.db2.gz ZOPORTOVUKLQIX-ZDUSSCGKSA-N 2 0 234.347 0.877 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)C1CC1 ZINC000364599226 385478602 /nfs/dbraw/zinc/47/86/02/385478602.db2.gz KRRHFKJQYFCHDR-AAEUAGOBSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCn1cncn1 ZINC000309210014 385480021 /nfs/dbraw/zinc/48/00/21/385480021.db2.gz NQDJZCGKVCEOMT-WDEREUQCSA-N 2 0 223.324 0.208 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C[NH3+])CC2)C1 ZINC000257668305 385485156 /nfs/dbraw/zinc/48/51/56/385485156.db2.gz FTMKEICLDQMQDY-GFCCVEGCSA-N 2 0 239.363 0.526 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000257656431 385486251 /nfs/dbraw/zinc/48/62/51/385486251.db2.gz CKKANVLPXNFTAC-NWDGAFQWSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@]([NH3+])(C(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000195232065 385464314 /nfs/dbraw/zinc/46/43/14/385464314.db2.gz BLZSTSREVKXGHM-OCCSQVGLSA-N 2 0 247.342 0.729 20 0 BCADRP C[C@]([NH3+])(C(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000195231605 385464430 /nfs/dbraw/zinc/46/44/30/385464430.db2.gz ZQSGSVRGNXYIIF-DGCLKSJQSA-N 2 0 233.315 0.339 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000257708813 385490613 /nfs/dbraw/zinc/49/06/13/385490613.db2.gz QFIMTYAEKMKSFF-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000110653819 385495553 /nfs/dbraw/zinc/49/55/53/385495553.db2.gz UZJAUGSRDOBBAF-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP CC[C@H](CO)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000309250269 385499899 /nfs/dbraw/zinc/49/98/99/385499899.db2.gz ZZXFHHUQKVPMRW-HOSYDEDBSA-N 2 0 212.337 0.830 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000405345659 385507622 /nfs/dbraw/zinc/50/76/22/385507622.db2.gz GIMSMPSWNVWMQG-ZJUUUORDSA-N 2 0 208.309 0.668 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000257708761 385490077 /nfs/dbraw/zinc/49/00/77/385490077.db2.gz QCQLKXRBGPWSME-VHSXEESVSA-N 2 0 213.325 0.039 20 0 BCADRP [NH3+]CC1(CC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000644144882 385536400 /nfs/dbraw/zinc/53/64/00/385536400.db2.gz PWXBNAVECDXIRS-JTQLQIEISA-N 2 0 237.347 0.374 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000644145974 385536558 /nfs/dbraw/zinc/53/65/58/385536558.db2.gz WTJYQSIEVGXQAC-UWVGGRQHSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000644139672 385524324 /nfs/dbraw/zinc/52/43/24/385524324.db2.gz JNGFDNYBZNYOAQ-IUCAKERBSA-N 2 0 213.325 0.310 20 0 BCADRP CC(C)([NH3+])CCC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000647703590 385574379 /nfs/dbraw/zinc/57/43/79/385574379.db2.gz ULCJWWDXPKHICJ-JTQLQIEISA-N 2 0 227.352 0.762 20 0 BCADRP COC(=O)CCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000309381428 385558811 /nfs/dbraw/zinc/55/88/11/385558811.db2.gz RODXZURHJPLDEI-HBNTYKKESA-N 2 0 226.320 0.609 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000054076741 385594643 /nfs/dbraw/zinc/59/46/43/385594643.db2.gz XACGCHKTCMXVMR-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP CCCCNC(=O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000309474769 385604101 /nfs/dbraw/zinc/60/41/01/385604101.db2.gz XXPITEPQFDDHJN-LBPRGKRZSA-N 2 0 227.352 0.573 20 0 BCADRP C[C@@]1(C[NH3+])CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000309447301 385586943 /nfs/dbraw/zinc/58/69/43/385586943.db2.gz LRKFNSVDEWDSPL-LBPRGKRZSA-N 3 0 211.353 0.657 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000354020029 385587427 /nfs/dbraw/zinc/58/74/27/385587427.db2.gz NCSNYULGZPYILO-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]([NH3+])CC(F)F)C1CC1 ZINC000336649279 385591303 /nfs/dbraw/zinc/59/13/03/385591303.db2.gz GVBPWFTWZZYKEI-MRVPVSSYSA-N 2 0 235.278 0.179 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000082651674 385627152 /nfs/dbraw/zinc/62/71/52/385627152.db2.gz XRGJNIPRTRWWDF-RYUDHWBXSA-N 2 0 222.336 0.942 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000309485925 385613657 /nfs/dbraw/zinc/61/36/57/385613657.db2.gz GKVYNIVMOXTGPK-VHSXEESVSA-N 2 0 213.325 0.243 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000309514283 385647452 /nfs/dbraw/zinc/64/74/52/385647452.db2.gz YFDBYBRBRVPDKF-ONGXEEELSA-N 2 0 215.341 0.603 20 0 BCADRP C[NH2+]C[C@H](C)CN[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000414851783 385665702 /nfs/dbraw/zinc/66/57/02/385665702.db2.gz PQVPHMXUQRAQMT-TUAOUCFPSA-N 2 0 213.369 0.962 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000309522160 385659147 /nfs/dbraw/zinc/65/91/47/385659147.db2.gz BWDMJSWQSZNVGQ-ZJUUUORDSA-N 2 0 211.309 0.078 20 0 BCADRP C[NH2+]C[C@@H](C)CNC[C@@H]([NH3+])CC(C)C ZINC000414852399 385677151 /nfs/dbraw/zinc/67/71/51/385677151.db2.gz RBZZGFRZUGVFBR-MNOVXSKESA-N 2 0 201.358 0.805 20 0 BCADRP COCCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000221702131 385687788 /nfs/dbraw/zinc/68/77/88/385687788.db2.gz PYCISRSOMRCECU-WDEREUQCSA-N 2 0 200.326 0.953 20 0 BCADRP C[NH2+]C1CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000647792849 385695972 /nfs/dbraw/zinc/69/59/72/385695972.db2.gz BEVMVJHNCVNDSK-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NCc1nccn1C ZINC000414855613 385702860 /nfs/dbraw/zinc/70/28/60/385702860.db2.gz XJDLCQNJWQPXJI-JTQLQIEISA-N 2 0 210.325 0.883 20 0 BCADRP Cc1nc(N)nc(N2CC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000310958581 385704839 /nfs/dbraw/zinc/70/48/39/385704839.db2.gz NNZMSFKXFVZSJW-LBPRGKRZSA-N 2 0 248.334 0.294 20 0 BCADRP CCCCOCCN(C)C[C@@H](O)C[NH3+] ZINC000336653739 385712804 /nfs/dbraw/zinc/71/28/04/385712804.db2.gz MAYBUSZDTJKVEP-JTQLQIEISA-N 2 0 204.314 0.055 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000337448904 385667099 /nfs/dbraw/zinc/66/70/99/385667099.db2.gz HACJXDNJNAPBRK-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP C[NH+](C)CC(=O)NCC(C)(C)[NH+](C)C ZINC000340093760 385670938 /nfs/dbraw/zinc/67/09/38/385670938.db2.gz WGERFUGWXWMAMZ-UHFFFAOYSA-N 2 0 201.314 0.004 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000571648348 385731115 /nfs/dbraw/zinc/73/11/15/385731115.db2.gz NFJTWCYJOQVWQP-GRYCIOLGSA-N 2 0 228.336 0.068 20 0 BCADRP CC[N@@H+]1CC[C@@H](NCCC[NH2+]C)[C@@H](C)C1 ZINC000414859812 385738947 /nfs/dbraw/zinc/73/89/47/385738947.db2.gz NXGOWGFHKOAHSV-NWDGAFQWSA-N 2 0 213.369 0.916 20 0 BCADRP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1CCCSC1 ZINC000414860366 385747283 /nfs/dbraw/zinc/74/72/83/385747283.db2.gz CQCAFMWBJFCSSQ-LLVKDONJSA-N 2 0 229.393 0.377 20 0 BCADRP [NH3+]CCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186506176 385763363 /nfs/dbraw/zinc/76/33/63/385763363.db2.gz UEXDLJCOLKDUPR-VIFPVBQESA-N 2 0 211.309 0.078 20 0 BCADRP [NH3+]CCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186506158 385764007 /nfs/dbraw/zinc/76/40/07/385764007.db2.gz UEXDLJCOLKDUPR-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@@H]1CCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000414865381 385768157 /nfs/dbraw/zinc/76/81/57/385768157.db2.gz LCDKPOPCVITQAZ-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336703443 385776221 /nfs/dbraw/zinc/77/62/21/385776221.db2.gz KOKBWZQZVNYIMO-OLZOCXBDSA-N 2 0 242.363 0.411 20 0 BCADRP C[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1cncs1 ZINC000309590022 385720890 /nfs/dbraw/zinc/72/08/90/385720890.db2.gz UNLDDVXFPZMMPI-GXSJLCMTSA-N 2 0 241.360 0.860 20 0 BCADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(=O)NC ZINC000647799422 385798944 /nfs/dbraw/zinc/79/89/44/385798944.db2.gz GHNSTMBZUDABHI-QCNOEVLYSA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(=O)NC ZINC000647799423 385799454 /nfs/dbraw/zinc/79/94/54/385799454.db2.gz GHNSTMBZUDABHI-YFKTTZPYSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000186840128 385801729 /nfs/dbraw/zinc/80/17/29/385801729.db2.gz HHSHRVJCKDJRMF-VWYCJHECSA-N 2 0 225.336 0.243 20 0 BCADRP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647800076 385803326 /nfs/dbraw/zinc/80/33/26/385803326.db2.gz ZJRKDMAODROWND-KIJLLGNVSA-N 2 0 224.348 0.878 20 0 BCADRP Cn1cnc(CCC[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000647801388 385810336 /nfs/dbraw/zinc/81/03/36/385810336.db2.gz UJIUQCASSQZIOG-WDEREUQCSA-N 2 0 237.351 0.465 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000521434419 385829187 /nfs/dbraw/zinc/82/91/87/385829187.db2.gz XNKBIOONMUIGPB-GUBZILKMSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000521434422 385829984 /nfs/dbraw/zinc/82/99/84/385829984.db2.gz XNKBIOONMUIGPB-UTLUCORTSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H](NC(=O)C[C@H](C)[NH3+])C(C)(C)C[NH+](C)C ZINC000340184668 385830540 /nfs/dbraw/zinc/83/05/40/385830540.db2.gz HNTYYXNKAPTEGH-VHSXEESVSA-N 2 0 229.368 0.816 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647802626 385836291 /nfs/dbraw/zinc/83/62/91/385836291.db2.gz QHUMLYMKUFNDAR-SYLRKERUSA-N 2 0 240.347 0.378 20 0 BCADRP Cc1ccc(O)c(C[NH2+]C[C@@H](C)C[NH3+])n1 ZINC000414869752 385838469 /nfs/dbraw/zinc/83/84/69/385838469.db2.gz BFNCILNQVOYIRO-QMMMGPOBSA-N 2 0 209.293 0.780 20 0 BCADRP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@@H]1CO[C@H](C)C1 ZINC000647804249 385841407 /nfs/dbraw/zinc/84/14/07/385841407.db2.gz MRMBPIUUUWZDPR-RMPHRYRLSA-N 2 0 228.336 0.506 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000638114147 385848861 /nfs/dbraw/zinc/84/88/61/385848861.db2.gz HLDBLCCNLJHGQV-HBNTYKKESA-N 2 0 227.352 0.583 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000638114383 385849254 /nfs/dbraw/zinc/84/92/54/385849254.db2.gz IGXGTRUSQJWWCJ-ADEWGFFLSA-N 2 0 237.347 0.633 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647845303 385885919 /nfs/dbraw/zinc/88/59/19/385885919.db2.gz USNMXVBPQDOXNY-DGCLKSJQSA-N 2 0 249.358 0.945 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CC[NH2+]CC1(C)C ZINC000647839781 385887291 /nfs/dbraw/zinc/88/72/91/385887291.db2.gz DINMNMUPFKNFLL-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1c[nH+]ccc1N ZINC000294720769 385887805 /nfs/dbraw/zinc/88/78/05/385887805.db2.gz CNTVKALYFIPVHX-GZMMTYOYSA-N 2 0 234.303 0.534 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC000647841383 385888774 /nfs/dbraw/zinc/88/87/74/385888774.db2.gz OTQTZTDISCRVDH-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)CC[C@H]1[NH3+] ZINC000647844386 385894856 /nfs/dbraw/zinc/89/48/56/385894856.db2.gz RNPDGQFOAFKAJN-ZYHUDNBSSA-N 2 0 235.331 0.554 20 0 BCADRP COC(C)(C)[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000340200711 385902894 /nfs/dbraw/zinc/90/28/94/385902894.db2.gz RDDJKOZQFVZQHE-RYUDHWBXSA-N 2 0 244.379 0.846 20 0 BCADRP Cn1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1=O ZINC000647857548 385906422 /nfs/dbraw/zinc/90/64/22/385906422.db2.gz DCYOMUFJGIDEHM-UHFFFAOYSA-N 2 0 237.347 0.802 20 0 BCADRP C[N@@H+](CCC(N)=O)CC[C@@H]1CCCC[NH+]1C ZINC000353208840 385908718 /nfs/dbraw/zinc/90/87/18/385908718.db2.gz OOJUHFLMSUNJCJ-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)c1ccc(C[NH3+])o1 ZINC000647859207 385912096 /nfs/dbraw/zinc/91/20/96/385912096.db2.gz XHKMKWGJNJVFLA-UHFFFAOYSA-N 2 0 239.319 0.795 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000335036240 385925268 /nfs/dbraw/zinc/92/52/68/385925268.db2.gz ATPDTEHSCBQQRS-CYBMUJFWSA-N 2 0 239.363 0.811 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000647732620 385863590 /nfs/dbraw/zinc/86/35/90/385863590.db2.gz PTDWYNMIARBJHW-JTQLQIEISA-N 2 0 227.352 0.559 20 0 BCADRP C[NH+](C)CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000284348945 385864478 /nfs/dbraw/zinc/86/44/78/385864478.db2.gz NUNZAHGZSMORJR-UHFFFAOYSA-N 2 0 232.287 0.626 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H]1C[NH3+] ZINC000647820845 385870728 /nfs/dbraw/zinc/87/07/28/385870728.db2.gz FMDMERAXLGFNOD-GCHJQGSQSA-N 2 0 237.347 0.038 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H]1C[NH3+] ZINC000647822253 385872157 /nfs/dbraw/zinc/87/21/57/385872157.db2.gz ICYDJIOGGXLLGD-UKKRHICBSA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000647830610 385872273 /nfs/dbraw/zinc/87/22/73/385872273.db2.gz WELKWSHLKWBMGP-RWMBFGLXSA-N 2 0 239.363 0.130 20 0 BCADRP C[C@H]1CN(CC[N@@H+]2CCC[C@@H](C[NH3+])C2)CCO1 ZINC000647827163 385874493 /nfs/dbraw/zinc/87/44/93/385874493.db2.gz NAAKKIVAWXAJTH-STQMWFEESA-N 2 0 241.379 0.378 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(C[NH3+])o1 ZINC000647827753 385875925 /nfs/dbraw/zinc/87/59/25/385875925.db2.gz XVMFDNXTHAWEBO-LBPRGKRZSA-N 2 0 239.319 0.842 20 0 BCADRP COCCCCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835893 385880319 /nfs/dbraw/zinc/88/03/19/385880319.db2.gz UDAFUAYPVDQBMF-UHFFFAOYSA-N 2 0 243.395 0.640 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)C[NH3+] ZINC000417450342 385975766 /nfs/dbraw/zinc/97/57/66/385975766.db2.gz ZYNWIVABNMZGEH-MNOVXSKESA-N 2 0 244.383 0.611 20 0 BCADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335021137 385980979 /nfs/dbraw/zinc/98/09/79/385980979.db2.gz CGLUMENDNYUKPP-RYUDHWBXSA-N 2 0 225.380 0.916 20 0 BCADRP CCCNC(=O)[C@@H](C)N1CCC(C)([NH3+])CC1 ZINC000647926885 385984763 /nfs/dbraw/zinc/98/47/63/385984763.db2.gz QAOAECJOQWHBCR-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000295185949 385988393 /nfs/dbraw/zinc/98/83/93/385988393.db2.gz IEVKSNIGUJNRNX-VXGBXAGGSA-N 2 0 235.331 0.410 20 0 BCADRP CCOC(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])C1 ZINC000496566858 385930647 /nfs/dbraw/zinc/93/06/47/385930647.db2.gz FAKQGOKECPXPPU-DCAQKATOSA-N 2 0 241.335 0.687 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000251145393 385935089 /nfs/dbraw/zinc/93/50/89/385935089.db2.gz XDFLYTPRJATLSD-MNOVXSKESA-N 2 0 225.336 0.278 20 0 BCADRP C[C@H](CO)[NH+](C)C/C=C\C[N@@H+](C)[C@H](C)CO ZINC000342087821 385936912 /nfs/dbraw/zinc/93/69/12/385936912.db2.gz RGCLWSRWKRKAIN-GKKDLHFNSA-N 2 0 230.352 0.168 20 0 BCADRP CN(CC[NH3+])C(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000335047094 385942356 /nfs/dbraw/zinc/94/23/56/385942356.db2.gz LWGNQFWRKCZBLI-WDEREUQCSA-N 2 0 227.352 0.701 20 0 BCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CCCC[NH3+] ZINC000521437838 385942986 /nfs/dbraw/zinc/94/29/86/385942986.db2.gz FYCJMOKDDYNESW-GFCCVEGCSA-N 2 0 241.379 0.914 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000335050001 385946048 /nfs/dbraw/zinc/94/60/48/385946048.db2.gz CDOPHDUHBBPXCZ-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP CC1([NH3+])CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000647924684 385956917 /nfs/dbraw/zinc/95/69/17/385956917.db2.gz CLZAIBKRUOSWFB-LBPRGKRZSA-N 2 0 242.363 0.995 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000638568194 385958411 /nfs/dbraw/zinc/95/84/11/385958411.db2.gz WNWCGGKUMIBEPX-GARJFASQSA-N 2 0 225.336 0.385 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000417446804 385958637 /nfs/dbraw/zinc/95/86/37/385958637.db2.gz NHGKKHYJNZEVGU-WDEREUQCSA-N 2 0 244.383 0.705 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C[C@H]1CC[NH2+]C1 ZINC000647863726 385962595 /nfs/dbraw/zinc/96/25/95/385962595.db2.gz IXRCRUDOUSFLOJ-SNVBAGLBSA-N 2 0 227.352 0.429 20 0 BCADRP CC[NH+](CC)CCCN[C@@H]1C(=O)NCC[C@@H]1C ZINC000338361070 385971615 /nfs/dbraw/zinc/97/16/15/385971615.db2.gz LNZUNADECHUEJH-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]([NH3+])CC ZINC000417449377 385973804 /nfs/dbraw/zinc/97/38/04/385973804.db2.gz XTLQNPATOMPZLK-MNOVXSKESA-N 2 0 244.383 0.753 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)C[NH3+] ZINC000417450341 385974397 /nfs/dbraw/zinc/97/43/97/385974397.db2.gz ZYNWIVABNMZGEH-GHMZBOCLSA-N 2 0 244.383 0.611 20 0 BCADRP C[NH2+]CCC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000309263624 386001718 /nfs/dbraw/zinc/00/17/18/386001718.db2.gz QTVXHKCTBXYRHE-NSHDSACASA-N 2 0 225.336 0.149 20 0 BCADRP C[NH2+]CCOCCNC(=O)[C@H]([NH3+])CCC(C)C ZINC000638575081 386002903 /nfs/dbraw/zinc/00/29/03/386002903.db2.gz JUBSZSDLQMMADH-LLVKDONJSA-N 2 0 245.367 0.102 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000295263889 386003211 /nfs/dbraw/zinc/00/32/11/386003211.db2.gz VCVAPQXICVNVJJ-GZMMTYOYSA-N 2 0 234.303 0.521 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000295293919 386008944 /nfs/dbraw/zinc/00/89/44/386008944.db2.gz UMUAUIUKQTXZOM-NEPJUHHUSA-N 2 0 235.331 0.848 20 0 BCADRP CC[N@H+](CCNC(=O)N[C@H](C)CC[NH3+])C(C)C ZINC000417463785 386019363 /nfs/dbraw/zinc/01/93/63/386019363.db2.gz PMGBGQMJXHLSSG-LLVKDONJSA-N 2 0 244.383 0.753 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365331988 386040823 /nfs/dbraw/zinc/04/08/23/386040823.db2.gz GGQZAYUXRKMNAC-YFKTTZPYSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000647870860 386101546 /nfs/dbraw/zinc/10/15/46/386101546.db2.gz HKOFBBXVQOCKJS-AXFHLTTASA-N 2 0 227.352 0.556 20 0 BCADRP CN(C)c1nccc(N2CC[C@H](C[NH+](C)C)C2)n1 ZINC000338689598 386103154 /nfs/dbraw/zinc/10/31/54/386103154.db2.gz PDEOOENWOISNQV-LLVKDONJSA-N 2 0 249.362 0.931 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000054133683 386109956 /nfs/dbraw/zinc/10/99/56/386109956.db2.gz KRKLMZNOTKSVBV-GFCCVEGCSA-N 2 0 229.368 0.960 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000054133502 386110505 /nfs/dbraw/zinc/11/05/05/386110505.db2.gz XZZNENGXDKXBNS-NSHDSACASA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000054133441 386111484 /nfs/dbraw/zinc/11/14/84/386111484.db2.gz KTFNDUQKMNAZQV-NSHDSACASA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000525804007 386114052 /nfs/dbraw/zinc/11/40/52/386114052.db2.gz FJZVFBNTKQUUOJ-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000525804009 386115022 /nfs/dbraw/zinc/11/50/22/386115022.db2.gz FJZVFBNTKQUUOJ-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000525804008 386115584 /nfs/dbraw/zinc/11/55/84/386115584.db2.gz FJZVFBNTKQUUOJ-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP c1ncc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1 ZINC000112839228 386119750 /nfs/dbraw/zinc/11/97/50/386119750.db2.gz FSEUEYBSKNLKPU-OLZOCXBDSA-N 2 0 248.330 0.429 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](N)C2)CC[NH2+]1 ZINC000414651698 386073670 /nfs/dbraw/zinc/07/36/70/386073670.db2.gz FWGVDFJMGSWUFY-IJLUTSLNSA-N 2 0 211.353 0.798 20 0 BCADRP C[NH+](C)CCCC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000338600572 386074776 /nfs/dbraw/zinc/07/47/76/386074776.db2.gz WERMEGOXAZZJAO-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCNC[C@H]2C)CC[NH2+]1 ZINC000414652795 386075097 /nfs/dbraw/zinc/07/50/97/386075097.db2.gz HJNXDOKASDHYMI-IJLUTSLNSA-N 2 0 211.353 0.668 20 0 BCADRP C[NH+](C)CC(=O)NCCC[NH+]1CCCCCC1 ZINC000340243467 386080840 /nfs/dbraw/zinc/08/08/40/386080840.db2.gz QDNLZYHUYRAIQD-UHFFFAOYSA-N 2 0 241.379 0.930 20 0 BCADRP CC[N@@H+]1CC[C@@H](NCC[NH2+]CCOC)[C@@H](C)C1 ZINC000414887614 386091166 /nfs/dbraw/zinc/09/11/66/386091166.db2.gz QSFBLTPZUJRKRE-QWHCGFSZSA-N 2 0 243.395 0.542 20 0 BCADRP C[C@H]1C[C@@H](C[N@H+](C)CC(=O)NC2CC2)CC[NH2+]1 ZINC000414674210 386147361 /nfs/dbraw/zinc/14/73/61/386147361.db2.gz DHYQIGNQUGHCKR-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]1 ZINC000414676147 386150062 /nfs/dbraw/zinc/15/00/62/386150062.db2.gz UUTFSVVLAXZXLZ-GRYCIOLGSA-N 2 0 239.363 0.572 20 0 BCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000334476057 386154055 /nfs/dbraw/zinc/15/40/55/386154055.db2.gz OLNYYAOQUAVMJR-JQWIXIFHSA-N 2 0 237.347 0.434 20 0 BCADRP CC[N@H+](CCNC(=O)NCCC[NH2+]C)C1CC1 ZINC000417489972 386155544 /nfs/dbraw/zinc/15/55/44/386155544.db2.gz RAFVWJDRTMCUEX-UHFFFAOYSA-N 2 0 242.367 0.379 20 0 BCADRP C[C@@H]1C[C@@H](CN[C@H]2C[NH2+]CCC2(F)F)CC[NH2+]1 ZINC000414993533 386165894 /nfs/dbraw/zinc/16/58/94/386165894.db2.gz CMRWTSRLUDEDPQ-VWYCJHECSA-N 2 0 247.333 0.961 20 0 BCADRP C[C@@]1(C[NH2+]C[C@@H]2CCNCC2(F)F)CC[NH2+]C1 ZINC000414993213 386166381 /nfs/dbraw/zinc/16/63/81/386166381.db2.gz CGJQVYHPTYOMMR-WDEREUQCSA-N 2 0 247.333 0.820 20 0 BCADRP C[C@H](C[NH+](C)C)NC(=O)C1CC[NH+](C)CC1 ZINC000346225333 386175825 /nfs/dbraw/zinc/17/58/25/386175825.db2.gz OGOYGEIGJTVGTN-SNVBAGLBSA-N 2 0 227.352 0.395 20 0 BCADRP Cc1ccc(O)c(C[NH2+][C@@H](C)CC[NH3+])n1 ZINC000414894482 386175957 /nfs/dbraw/zinc/17/59/57/386175957.db2.gz ZLPDGIHXAPFEJJ-QMMMGPOBSA-N 2 0 209.293 0.923 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000346229976 386176077 /nfs/dbraw/zinc/17/60/77/386176077.db2.gz SUGRZBMCZUUYGI-SDDRHHMPSA-N 2 0 241.379 0.926 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000237314006 259682917 /nfs/dbraw/zinc/68/29/17/259682917.db2.gz QCIIFGGHPCJRPU-ZYHUDNBSSA-N 2 0 235.331 0.658 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC000338764511 386133082 /nfs/dbraw/zinc/13/30/82/386133082.db2.gz AVQIXNUNYCPYKS-LBPRGKRZSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000414669915 386134829 /nfs/dbraw/zinc/13/48/29/386134829.db2.gz CFAMYIMCZJVKNB-UTUOFQBUSA-N 2 0 241.379 0.946 20 0 BCADRP COC[C@@H](O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000338781531 386139024 /nfs/dbraw/zinc/13/90/24/386139024.db2.gz CBZNCOGBESDYJS-LBPRGKRZSA-N 2 0 244.379 0.846 20 0 BCADRP C[C@@H](C(=O)NC1CC1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000365520815 386142067 /nfs/dbraw/zinc/14/20/67/386142067.db2.gz ZUJMELIRDYOEPV-GARJFASQSA-N 2 0 237.347 0.147 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647875025 386143980 /nfs/dbraw/zinc/14/39/80/386143980.db2.gz RVFYMZJUXALJTE-UKKRHICBSA-N 2 0 225.336 0.086 20 0 BCADRP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414698900 386202092 /nfs/dbraw/zinc/20/20/92/386202092.db2.gz IKRLFIWETGZQSQ-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP COC(=O)[C@]1(C)CC[N@H+](CCC[NH3+])C1 ZINC000414702259 386207825 /nfs/dbraw/zinc/20/78/25/386207825.db2.gz IENWKAHBWMABHS-SNVBAGLBSA-N 2 0 200.282 0.220 20 0 BCADRP CCC[N@@H+](CC(=O)NC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414700659 386208353 /nfs/dbraw/zinc/20/83/53/386208353.db2.gz ZQAYSWPENXAVQV-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](CO)OC[C@@H]2C)CC[NH2+]1 ZINC000414702531 386210950 /nfs/dbraw/zinc/21/09/50/386210950.db2.gz HWOIFBPMCMMHRT-YVECIDJPSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131696613 386215144 /nfs/dbraw/zinc/21/51/44/386215144.db2.gz AMEHLEPIADMURA-VWYCJHECSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH3+])C1)[NH+](C)C ZINC000132324607 386229148 /nfs/dbraw/zinc/22/91/48/386229148.db2.gz QYGIULZZLMPCDX-NXEZZACHSA-N 2 0 213.325 0.132 20 0 BCADRP [NH3+]CCC[N@H+](CCO)CCOCC(F)(F)F ZINC000414694180 386192175 /nfs/dbraw/zinc/19/21/75/386192175.db2.gz MQPNEGNDKVQQAF-UHFFFAOYSA-N 2 0 244.257 0.208 20 0 BCADRP CC(C)(C[NH3+])NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000335263390 386291588 /nfs/dbraw/zinc/29/15/88/386291588.db2.gz FREMZCIHWHOXGC-UHFFFAOYSA-N 2 0 233.315 0.757 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000236620983 386291691 /nfs/dbraw/zinc/29/16/91/386291691.db2.gz WCTDRZVGRBRVEN-GFCCVEGCSA-N 2 0 247.342 0.554 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000133182376 386300877 /nfs/dbraw/zinc/30/08/77/386300877.db2.gz RMELQXVZWRNRSO-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@]1(C(=O)NC[C@H]2CCC[NH2+]2)CCCC[NH2+]1 ZINC000180896779 386305104 /nfs/dbraw/zinc/30/51/04/386305104.db2.gz QVVCCEXXAOYVTG-PWSUYJOCSA-N 2 0 225.336 0.387 20 0 BCADRP CNC(=O)CC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647886721 386306821 /nfs/dbraw/zinc/30/68/21/386306821.db2.gz OCKKWTMLXOYHSS-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)NC[C@@H]([NH3+])C2CC2)[C@H]1C ZINC000331942015 386308948 /nfs/dbraw/zinc/30/89/48/386308948.db2.gz XRXGWSJEGLIOLS-ATZCPNFKSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1CO ZINC000414738383 386316767 /nfs/dbraw/zinc/31/67/67/386316767.db2.gz JFOMKQQEJRTHJR-LPWJVIDDSA-N 2 0 226.364 0.935 20 0 BCADRP CC[N@H+](CCNC(=O)CCC[NH3+])C(C)C ZINC000236857404 386317843 /nfs/dbraw/zinc/31/78/43/386317843.db2.gz VFUZUYMTMOEKQO-UHFFFAOYSA-N 2 0 215.341 0.572 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000339134257 386264657 /nfs/dbraw/zinc/26/46/57/386264657.db2.gz UCGCEPAXYKLIEY-UWVGGRQHSA-N 2 0 215.341 0.297 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C(C)(C)C[NH3+])CC[N@@H+]1C ZINC000133150210 386279117 /nfs/dbraw/zinc/27/91/17/386279117.db2.gz KYPUKFULLNOADH-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)(C)[NH2+]CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000414728172 386279305 /nfs/dbraw/zinc/27/93/05/386279305.db2.gz BVTQOUZQQDDQAA-PHIMTYICSA-N 2 0 211.353 0.526 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000647987710 386279249 /nfs/dbraw/zinc/27/92/49/386279249.db2.gz SFHRCEDXEBOQHE-UTUOFQBUSA-N 2 0 209.337 0.422 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000417547077 386347073 /nfs/dbraw/zinc/34/70/73/386347073.db2.gz GNWRBISWPXJGPU-UWVGGRQHSA-N 2 0 242.367 0.363 20 0 BCADRP CC(C)C[C@H]1C(=O)NCCN1C[C@H]1CC[NH2+]C1 ZINC000647989184 386347587 /nfs/dbraw/zinc/34/75/87/386347587.db2.gz ULEMWXARCIXYMJ-RYUDHWBXSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)C[C@@H]1C(=O)NCCN1C[C@H]1CC[NH2+]C1 ZINC000647989183 386348013 /nfs/dbraw/zinc/34/80/13/386348013.db2.gz ULEMWXARCIXYMJ-NWDGAFQWSA-N 2 0 239.363 0.442 20 0 BCADRP CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1CCC[NH3+] ZINC000414753118 386386620 /nfs/dbraw/zinc/38/66/20/386386620.db2.gz DBBBLSDAXVYNRH-MNOVXSKESA-N 2 0 244.335 0.378 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]([NH3+])CC(F)F)C1CC1 ZINC000336732009 386356246 /nfs/dbraw/zinc/35/62/46/386356246.db2.gz ZBPFADARIPVKAF-SECBINFHSA-N 2 0 249.305 0.569 20 0 BCADRP C[C@@H](CNC(=O)NCC(C)(C)[NH3+])[N@H+](C)C1CC1 ZINC000417553480 386358235 /nfs/dbraw/zinc/35/82/35/386358235.db2.gz UHDJQRRPUZWOGO-VIFPVBQESA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCN(C)C(=O)[C@H]2C)CC[NH2+]1 ZINC000414748056 386360322 /nfs/dbraw/zinc/36/03/22/386360322.db2.gz VWANEBGIJONVFE-UTUOFQBUSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])[N@H+](C)C1CC1 ZINC000417554556 386362577 /nfs/dbraw/zinc/36/25/77/386362577.db2.gz WITVKXQTRBXAGT-KXUCPTDWSA-N 2 0 242.367 0.504 20 0 BCADRP C[N@H+](CC1CC1)C[C@H]1CCN(CCC[NH3+])C1 ZINC000414749858 386369021 /nfs/dbraw/zinc/36/90/21/386369021.db2.gz WVXIFJTWLCZGCA-CYBMUJFWSA-N 2 0 225.380 0.999 20 0 BCADRP CC[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC000112925365 386370168 /nfs/dbraw/zinc/37/01/68/386370168.db2.gz VOEHFWILCMKJIK-UHFFFAOYSA-N 2 0 215.341 0.395 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC000112926163 386370472 /nfs/dbraw/zinc/37/04/72/386370472.db2.gz KEOHANAPRNOQCV-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CN1CCC([NH2+]C[C@@H](CO)C2CC2)CC1 ZINC000336774460 386374875 /nfs/dbraw/zinc/37/48/75/386374875.db2.gz ZVINYSRPTNRUGH-NSHDSACASA-N 2 0 212.337 0.689 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC[NH3+])C1 ZINC000417550775 386376046 /nfs/dbraw/zinc/37/60/46/386376046.db2.gz MFEOEIRUWFYDEQ-LLVKDONJSA-N 2 0 242.367 0.365 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH3+])C1 ZINC000417550776 386376676 /nfs/dbraw/zinc/37/66/76/386376676.db2.gz MFEOEIRUWFYDEQ-NSHDSACASA-N 2 0 242.367 0.365 20 0 BCADRP CC[NH+](CC)CCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000416788060 386384145 /nfs/dbraw/zinc/38/41/45/386384145.db2.gz HRPOLACBLIMHBY-LLVKDONJSA-N 2 0 242.367 0.365 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC ZINC000226396709 386386037 /nfs/dbraw/zinc/38/60/37/386386037.db2.gz OASMTCGHOTUGGY-UWVGGRQHSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@@H]1CN(C[C@@H]2CC[NH2+]C2)[C@@H](C)C[N@@H+]1C ZINC000647989046 386332845 /nfs/dbraw/zinc/33/28/45/386332845.db2.gz BOLBIWGLRPDUGO-GRYCIOLGSA-N 2 0 211.353 0.620 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@H]1CC[NH2+]C1 ZINC000647989048 386334186 /nfs/dbraw/zinc/33/41/86/386334186.db2.gz BOLBIWGLRPDUGO-UTUOFQBUSA-N 2 0 211.353 0.620 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](C)C[NH2+]C)C1 ZINC000092136963 386334393 /nfs/dbraw/zinc/33/43/93/386334393.db2.gz IIVZVBUWXSMTCC-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC[NH3+] ZINC000417043675 386439032 /nfs/dbraw/zinc/43/90/32/386439032.db2.gz XLSXBALKLNQTQV-JTQLQIEISA-N 2 0 228.340 0.119 20 0 BCADRP C[N@H+](CCNC(=O)C1(C)C[NH2+]C1)C1CCCC1 ZINC000399199026 386446072 /nfs/dbraw/zinc/44/60/72/386446072.db2.gz BSGNBHIYJNIKCF-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CCN(C[C@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000647992610 386447377 /nfs/dbraw/zinc/44/73/77/386447377.db2.gz RIZUEMNSFVPHKA-WOPDTQHZSA-N 2 0 211.353 0.513 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000637855212 386449115 /nfs/dbraw/zinc/44/91/15/386449115.db2.gz LEQQMIMDEQFNQN-JTQLQIEISA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH+](CC)CCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000416800582 386390521 /nfs/dbraw/zinc/39/05/21/386390521.db2.gz RHNFQSAMQBDTFY-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP C[NH+](C)C1(CNC(=O)NCC[NH3+])CCCC1 ZINC000416828225 386391313 /nfs/dbraw/zinc/39/13/13/386391313.db2.gz OOASGAPGRBVMGS-UHFFFAOYSA-N 2 0 228.340 0.119 20 0 BCADRP CC[NH+](CC)CCNC(=O)N1CCC[NH2+]CC1 ZINC000416804189 386394682 /nfs/dbraw/zinc/39/46/82/386394682.db2.gz WHPJILBJVFOUSK-UHFFFAOYSA-N 2 0 242.367 0.333 20 0 BCADRP COC1CC([NH2+]C[C@H](C)CN2CCOCC2)C1 ZINC000347422047 386396469 /nfs/dbraw/zinc/39/64/69/386396469.db2.gz QEFJZTIQZJJFOP-HIFPTAJRSA-N 2 0 242.363 0.722 20 0 BCADRP COC1CC([NH2+]C[C@@H](C)CN2CCOCC2)C1 ZINC000347422049 386397674 /nfs/dbraw/zinc/39/76/74/386397674.db2.gz QEFJZTIQZJJFOP-PNESKVBLSA-N 2 0 242.363 0.722 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CC[NH3+] ZINC000417579840 386409003 /nfs/dbraw/zinc/40/90/03/386409003.db2.gz BTQAFHVGHDEBRG-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](C)O[C@H](CO)C2)CC[NH2+]1 ZINC000414759396 386409976 /nfs/dbraw/zinc/40/99/76/386409976.db2.gz OERQXWCSONKEJI-XQHKEYJVSA-N 2 0 242.363 0.456 20 0 BCADRP C[N@H+](CCO)C1CC[NH+](C2CCOCC2)CC1 ZINC000336707707 386413970 /nfs/dbraw/zinc/41/39/70/386413970.db2.gz HLAKUPCZMCBMJW-UHFFFAOYSA-N 2 0 242.363 0.554 20 0 BCADRP C[C@@H]([NH3+])CN1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000442665604 386417094 /nfs/dbraw/zinc/41/70/94/386417094.db2.gz NEPYRVYGHWWYAT-VXGBXAGGSA-N 2 0 241.379 0.519 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@](F)(CO)C2)CC[NH2+]1 ZINC000414761584 386421306 /nfs/dbraw/zinc/42/13/06/386421306.db2.gz JNRLDTYUOGSXOG-GRYCIOLGSA-N 2 0 230.327 0.781 20 0 BCADRP Cn1cc(CC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000336709849 386421790 /nfs/dbraw/zinc/42/17/90/386421790.db2.gz QCJXTTBRHCRRNW-ZDUSSCGKSA-N 2 0 236.363 0.846 20 0 BCADRP C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414761505 386422490 /nfs/dbraw/zinc/42/24/90/386422490.db2.gz UABRMEYMDMUEAR-DDHJBXDOSA-N 2 0 212.337 0.830 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]1 ZINC000414763434 386426897 /nfs/dbraw/zinc/42/68/97/386426897.db2.gz CMNVPBWNGDWVNS-AAVRWANBSA-N 3 0 237.391 0.916 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC000414763437 386426916 /nfs/dbraw/zinc/42/69/16/386426916.db2.gz CMNVPBWNGDWVNS-MQYQWHSLSA-N 3 0 237.391 0.916 20 0 BCADRP COC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339426410 386427700 /nfs/dbraw/zinc/42/77/00/386427700.db2.gz LORLQAZYWFVHDG-OLZOCXBDSA-N 2 0 242.363 0.411 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]1 ZINC000414763442 386428277 /nfs/dbraw/zinc/42/82/77/386428277.db2.gz CMNVPBWNGDWVNS-YIYPIFLZSA-N 3 0 237.391 0.916 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000238000138 386431026 /nfs/dbraw/zinc/43/10/26/386431026.db2.gz DSYXWGJIFXNVBJ-RYUDHWBXSA-N 2 0 233.315 0.555 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000417002706 386435478 /nfs/dbraw/zinc/43/54/78/386435478.db2.gz GJSRKYIRJNKVHZ-MXWKQRLJSA-N 2 0 244.383 0.752 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000417002717 386435700 /nfs/dbraw/zinc/43/57/00/386435700.db2.gz GLRYHWICEOWLSF-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NCC[N@H+](C)C1CC1 ZINC000417621314 386467224 /nfs/dbraw/zinc/46/72/24/386467224.db2.gz FHFOJWYMIQXCJM-LLVKDONJSA-N 2 0 242.367 0.363 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000417287953 386475813 /nfs/dbraw/zinc/47/58/13/386475813.db2.gz PYSDBVJMUHMESN-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP C[N@H+](CCNC(=O)NCC(C)(C)[NH3+])C1CC1 ZINC000417633957 386479530 /nfs/dbraw/zinc/47/95/30/386479530.db2.gz YMDDSSRLGRYTFN-UHFFFAOYSA-N 2 0 228.340 0.117 20 0 BCADRP CC[C@H]1C[N@H+](CCC(=O)N(C)CC)CC[C@@H]1[NH3+] ZINC000647934789 386480556 /nfs/dbraw/zinc/48/05/56/386480556.db2.gz QGNFYFJERRLDCQ-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP [NH3+]CCC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000335429003 386484818 /nfs/dbraw/zinc/48/48/18/386484818.db2.gz LFQQQEGNYIZWPW-LBPRGKRZSA-N 2 0 233.315 0.420 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000237084981 386530572 /nfs/dbraw/zinc/53/05/72/386530572.db2.gz FNLVOVMMXBIXQS-ZDUSSCGKSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417323372 386498332 /nfs/dbraw/zinc/49/83/32/386498332.db2.gz XZNXERCJNFXDMM-GXSJLCMTSA-N 2 0 242.367 0.363 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417323373 386498414 /nfs/dbraw/zinc/49/84/14/386498414.db2.gz XZNXERCJNFXDMM-KOLCDFICSA-N 2 0 242.367 0.363 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417323506 386498863 /nfs/dbraw/zinc/49/88/63/386498863.db2.gz YIFAFDMYKBMFDC-KXUCPTDWSA-N 2 0 230.356 0.362 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000519597479 386500002 /nfs/dbraw/zinc/50/00/02/386500002.db2.gz APRXDRUMTFPHAH-NRPADANISA-N 2 0 211.309 0.075 20 0 BCADRP CC[N@@H+]1CC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](C)C1 ZINC000415049145 386505530 /nfs/dbraw/zinc/50/55/30/386505530.db2.gz APZXROIHRNQVDO-LBELIVKGSA-N 2 0 223.364 0.524 20 0 BCADRP CCCC[C@@H](COC)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415044454 386529825 /nfs/dbraw/zinc/52/98/25/386529825.db2.gz VFJUOAZQCSINSK-NNYUYHANSA-N 2 0 212.337 0.999 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335446421 386511687 /nfs/dbraw/zinc/51/16/87/386511687.db2.gz QFVDBZSRXXOCQJ-WDEREUQCSA-N 2 0 225.336 0.183 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000335448395 386517787 /nfs/dbraw/zinc/51/77/87/386517787.db2.gz PLADRHMXQQUAPB-RYUDHWBXSA-N 3 0 211.353 0.846 20 0 BCADRP Cc1c[nH]nc1CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000335448309 386518003 /nfs/dbraw/zinc/51/80/03/386518003.db2.gz MNTKLOFFIMRYKX-NXEZZACHSA-N 2 0 208.309 0.887 20 0 BCADRP [NH3+]CC1(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000335449148 386518187 /nfs/dbraw/zinc/51/81/87/386518187.db2.gz WCVNRUGOXJKJSM-GHMZBOCLSA-N 3 0 209.337 0.267 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])CC(F)F ZINC000519655019 386519192 /nfs/dbraw/zinc/51/91/92/386519192.db2.gz WSNUDMAQYMTKRH-RNFRBKRXSA-N 2 0 235.278 0.226 20 0 BCADRP CC(C)C[C@H](C)C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000414786498 386527582 /nfs/dbraw/zinc/52/75/82/386527582.db2.gz MFBOBUKFRHCLEV-TUAOUCFPSA-N 2 0 214.353 0.839 20 0 BCADRP CC(C)C[C@H](C)C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000414786490 386527626 /nfs/dbraw/zinc/52/76/26/386527626.db2.gz MFBOBUKFRHCLEV-QJPTWQEYSA-N 2 0 214.353 0.839 20 0 BCADRP C[C@@H](CNC(=O)N[C@@H](C)C[NH3+])C[NH+]1CCCC1 ZINC000417130460 386460403 /nfs/dbraw/zinc/46/04/03/386460403.db2.gz BNONLVSDRBEQDN-QWRGUYRKSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H](C[NH3+])NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000417130461 386460900 /nfs/dbraw/zinc/46/09/00/386460900.db2.gz BNONLVSDRBEQDN-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP C[N@H+](CCNC(=O)C1CC[NH2+]CC1)C1CC1 ZINC000059931339 386462132 /nfs/dbraw/zinc/46/21/32/386462132.db2.gz HOPPJLLZWYAKBV-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)NCC[N@H+](C)C1CC1 ZINC000417625042 386463151 /nfs/dbraw/zinc/46/31/51/386463151.db2.gz LKSZYUCVSDKPSQ-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCC[N@H+](C)C1CC1 ZINC000417625828 386463180 /nfs/dbraw/zinc/46/31/80/386463180.db2.gz MZCADUYFAWKPLH-SECBINFHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H](NC1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000335453506 386528241 /nfs/dbraw/zinc/52/82/41/386528241.db2.gz WFRRIQSGLVKMAQ-ZYHUDNBSSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978234 386576657 /nfs/dbraw/zinc/57/66/57/386576657.db2.gz OUOJOJLATIXLEK-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335414287 386579377 /nfs/dbraw/zinc/57/93/77/386579377.db2.gz AZRNARXWYRFJFW-GFCCVEGCSA-N 2 0 239.363 0.858 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335417551 386585112 /nfs/dbraw/zinc/58/51/12/386585112.db2.gz NMSBLOFNSNEUSR-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000335418733 386587107 /nfs/dbraw/zinc/58/71/07/386587107.db2.gz SXFJPEHXIUBHDT-RYUDHWBXSA-N 2 0 239.363 0.668 20 0 BCADRP CC(C)[C@@H]([NH3+])C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414801455 386587252 /nfs/dbraw/zinc/58/72/52/386587252.db2.gz UDIWYMBQIPHROX-WOPDTQHZSA-N 3 0 213.369 0.947 20 0 BCADRP CN(C(=O)c1ccc(C[NH3+])cc1)[C@@H]1CC[NH2+]C1 ZINC000178409395 386595364 /nfs/dbraw/zinc/59/53/64/386595364.db2.gz DLOBOUNGBLLHQX-GFCCVEGCSA-N 2 0 233.315 0.579 20 0 BCADRP NCC(F)(F)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000414922659 386596418 /nfs/dbraw/zinc/59/64/18/386596418.db2.gz CTYOWPQJZMTTIY-UHFFFAOYSA-N 2 0 221.295 0.688 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062902997 386531332 /nfs/dbraw/zinc/53/13/32/386531332.db2.gz JAVSQQFHPPJADX-YPMHNXCESA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000417675230 386532428 /nfs/dbraw/zinc/53/24/28/386532428.db2.gz BRROMWVYZFSHLM-JTQLQIEISA-N 2 0 240.351 0.132 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062902999 386532452 /nfs/dbraw/zinc/53/24/52/386532452.db2.gz JAVSQQFHPPJADX-AAEUAGOBSA-N 2 0 241.379 0.833 20 0 BCADRP CN(CC[NH3+])C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000519691212 386533213 /nfs/dbraw/zinc/53/32/13/386533213.db2.gz QPRPEAVKESBCSU-LBPRGKRZSA-N 2 0 235.331 0.884 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(C)(C)[NH3+])C1 ZINC000062972534 386534105 /nfs/dbraw/zinc/53/41/05/386534105.db2.gz GNAKOADYBFZGOT-JTQLQIEISA-N 2 0 227.352 0.666 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000062972540 386536187 /nfs/dbraw/zinc/53/61/87/386536187.db2.gz PISBFLKPNWOLSG-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000415057638 386537351 /nfs/dbraw/zinc/53/73/51/386537351.db2.gz QMPDMINUEQGIOT-JHJVBQTASA-N 2 0 225.380 0.903 20 0 BCADRP CCC[C@H](C)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000519703079 386537439 /nfs/dbraw/zinc/53/74/39/386537439.db2.gz DUWAQSCVJSRLLC-SDDRHHMPSA-N 2 0 239.363 0.666 20 0 BCADRP CCN(CC)C(=O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166126 386540645 /nfs/dbraw/zinc/54/06/45/386540645.db2.gz JOWYFOOMNQOWAJ-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@@H]1CN(CC2(C[NH3+])CC2)C[C@@]1(C)C[NH3+] ZINC000415061128 386541115 /nfs/dbraw/zinc/54/11/15/386541115.db2.gz VWGPARWNIXGESG-GHMZBOCLSA-N 3 0 211.353 0.642 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000335462359 386545537 /nfs/dbraw/zinc/54/55/37/386545537.db2.gz FBXZEKLJPSUPNY-JTQLQIEISA-N 2 0 211.309 0.030 20 0 BCADRP CCO[C@@H]1C[C@H]1[NH2+][C@H](CCC[NH3+])COC ZINC000519762333 386551391 /nfs/dbraw/zinc/55/13/91/386551391.db2.gz INPIPZDBJKXAHT-GMTAPVOTSA-N 2 0 216.325 0.507 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000519776127 386553784 /nfs/dbraw/zinc/55/37/84/386553784.db2.gz YITAUCLNZFRWPU-WOPDTQHZSA-N 2 0 239.363 0.442 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCC[NH+]1C ZINC000354090216 386555611 /nfs/dbraw/zinc/55/56/11/386555611.db2.gz BBEXLRIQWQBELJ-LBPRGKRZSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000417691477 386558301 /nfs/dbraw/zinc/55/83/01/386558301.db2.gz WVBQCAXRSZQVQL-VHSXEESVSA-N 2 0 240.351 0.260 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000366683040 386561757 /nfs/dbraw/zinc/56/17/57/386561757.db2.gz RJXISEQIIWVWTQ-PRULPYPASA-N 2 0 237.347 0.372 20 0 BCADRP C[C@H](NC(=O)C1([NH3+])CCC1)[C@H]1CCC[NH2+]C1 ZINC000335406999 386566131 /nfs/dbraw/zinc/56/61/31/386566131.db2.gz OAXLJSVSKXIAOC-UWVGGRQHSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000335410730 386573949 /nfs/dbraw/zinc/57/39/49/386573949.db2.gz SUFDHZUUJNRZAG-KOLCDFICSA-N 2 0 225.336 0.311 20 0 BCADRP COC(=O)C1(C[NH2+]C[C@H]([NH3+])CC(C)C)CC1 ZINC000415112636 386620035 /nfs/dbraw/zinc/62/00/35/386620035.db2.gz VRGYLLRXZOZEMT-SNVBAGLBSA-N 2 0 228.336 0.903 20 0 BCADRP CNC(=O)CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000179184022 386625323 /nfs/dbraw/zinc/62/53/23/386625323.db2.gz XANYLKTVBKCRSK-UHFFFAOYSA-N 2 0 227.352 0.540 20 0 BCADRP c1cn(CCC[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)cn1 ZINC000425555136 386626778 /nfs/dbraw/zinc/62/67/78/386626778.db2.gz XNVLZHOLYSVYER-LLVKDONJSA-N 2 0 246.318 0.881 20 0 BCADRP COC(=O)C1(C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000415115049 386628402 /nfs/dbraw/zinc/62/84/02/386628402.db2.gz YGSLITRGOYZICT-MNOVXSKESA-N 2 0 240.347 0.917 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062889449 386632457 /nfs/dbraw/zinc/63/24/57/386632457.db2.gz AXVAMUUOVDFLBR-NSHDSACASA-N 2 0 213.325 0.054 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000049575438 386646098 /nfs/dbraw/zinc/64/60/98/386646098.db2.gz KEQYWOFZUKXFKT-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP Cc1nc[nH]c1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279241185 386653861 /nfs/dbraw/zinc/65/38/61/386653861.db2.gz SLPCXUJXXCABEA-LBPRGKRZSA-N 2 0 248.330 0.961 20 0 BCADRP CC[C@]1(C(=O)NCCCC[NH3+])CC[NH2+]C1 ZINC000062900154 386654292 /nfs/dbraw/zinc/65/42/92/386654292.db2.gz TUAYNHJXCPDTOM-NSHDSACASA-N 2 0 213.325 0.231 20 0 BCADRP [NH3+]CC1(CC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000520219186 386605853 /nfs/dbraw/zinc/60/58/53/386605853.db2.gz YZWJIOIYWHKVQP-NSHDSACASA-N 2 0 239.363 0.764 20 0 BCADRP C1C[C@@H]([NH2+][C@H]2CCC[C@@H]3OCC[C@H]32)C[NH2+]1 ZINC000415087151 386606632 /nfs/dbraw/zinc/60/66/32/386606632.db2.gz KPBKBHPOEBEMQJ-RHYQMDGZSA-N 2 0 210.321 0.896 20 0 BCADRP C[C@@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000414924049 386612923 /nfs/dbraw/zinc/61/29/23/386612923.db2.gz JKXKWTFNKRIZPJ-QJPTWQEYSA-N 2 0 211.353 0.859 20 0 BCADRP O=C1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000415096290 386614342 /nfs/dbraw/zinc/61/43/42/386614342.db2.gz AWKBVPKGDLWKKS-WDEREUQCSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)C[NH3+] ZINC000638490552 386615113 /nfs/dbraw/zinc/61/51/13/386615113.db2.gz YJYCZDAFSLZHPV-VHSXEESVSA-N 2 0 213.325 0.038 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)C[NH3+] ZINC000638490554 386615755 /nfs/dbraw/zinc/61/57/55/386615755.db2.gz YJYCZDAFSLZHPV-ZJUUUORDSA-N 2 0 213.325 0.038 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000335520510 386659983 /nfs/dbraw/zinc/65/99/83/386659983.db2.gz FJEFBDXMHUYBQV-VXGBXAGGSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@H]1C[C@@H]1C ZINC000520393202 386660545 /nfs/dbraw/zinc/66/05/45/386660545.db2.gz RYELNEAALFRMIP-SRVKXCTJSA-N 2 0 239.363 0.442 20 0 BCADRP CC[NH2+]CCN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000414820102 386665432 /nfs/dbraw/zinc/66/54/32/386665432.db2.gz AGQRECWRYOKHSO-RYUDHWBXSA-N 2 0 213.369 0.916 20 0 BCADRP CC[C@H](C(=O)NCCC[NH2+]C)[NH+](CC)CC ZINC000428130443 386669117 /nfs/dbraw/zinc/66/91/17/386669117.db2.gz SURRBSNKBOVKNH-LLVKDONJSA-N 2 0 229.368 0.833 20 0 BCADRP C[C@@H](C(N)=O)N(C)CCC[NH+]1CCCC1 ZINC000337241412 386672988 /nfs/dbraw/zinc/67/29/88/386672988.db2.gz GTWRDMSQUHXKGY-JTQLQIEISA-N 2 0 213.325 0.278 20 0 BCADRP CCCC[NH+]1CCC(NC(=O)CC[NH2+]C)CC1 ZINC000043600237 386709462 /nfs/dbraw/zinc/70/94/62/386709462.db2.gz OZCRLFOEQONRKD-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000335468102 386684543 /nfs/dbraw/zinc/68/45/43/386684543.db2.gz KDRMCCISQAFKMB-VXGBXAGGSA-N 2 0 239.363 0.395 20 0 BCADRP CS(=O)(=O)CCC[NH+]1CCC(C[NH3+])CC1 ZINC000063015262 386685159 /nfs/dbraw/zinc/68/51/59/386685159.db2.gz SSSXIGKDEVQMAB-UHFFFAOYSA-N 2 0 234.365 0.092 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCC1 ZINC000335472282 386690818 /nfs/dbraw/zinc/69/08/18/386690818.db2.gz VYWWHBZPIMLNHP-WDEREUQCSA-N 2 0 237.347 0.372 20 0 BCADRP [NH3+]CCOCCN1CC[NH2+]Cc2ccccc21 ZINC000357023763 386692682 /nfs/dbraw/zinc/69/26/82/386692682.db2.gz DOUYYPNSAGFWOA-UHFFFAOYSA-N 2 0 235.331 0.572 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000520547002 386695168 /nfs/dbraw/zinc/69/51/68/386695168.db2.gz KCCNLWWVDKSCJZ-QJPTWQEYSA-N 2 0 241.379 0.816 20 0 BCADRP [NH3+]CCOCC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000357032710 386698027 /nfs/dbraw/zinc/69/80/27/386698027.db2.gz SBRBZVZBDZOIFW-NSHDSACASA-N 2 0 228.336 0.463 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000335481300 386706244 /nfs/dbraw/zinc/70/62/44/386706244.db2.gz VHOXLUUJEWKLLH-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1CC[C@H]1CC[NH2+]C1 ZINC000647958610 386706701 /nfs/dbraw/zinc/70/67/01/386706701.db2.gz OUDNBANQNLOPBK-WOPDTQHZSA-N 2 0 229.343 0.618 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000357105372 386717652 /nfs/dbraw/zinc/71/76/52/386717652.db2.gz ODVKJVCTHQCXLN-LLVKDONJSA-N 3 0 238.335 0.564 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414832881 386718857 /nfs/dbraw/zinc/71/88/57/386718857.db2.gz FDRMUTSSOFNFIQ-SRVKXCTJSA-N 3 0 213.369 0.820 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726726 386727317 /nfs/dbraw/zinc/72/73/17/386727317.db2.gz QCFDREIZSMTBLZ-ZWNOBZJWSA-N 2 0 239.363 0.857 20 0 BCADRP CC[C@H](C(=O)N1CC[NH2+]C(C)(C)C1)[NH+](C)C ZINC000335543240 386727673 /nfs/dbraw/zinc/72/76/73/386727673.db2.gz UIKWMGOQFPLCSU-SNVBAGLBSA-N 2 0 227.352 0.537 20 0 BCADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000414835848 386728201 /nfs/dbraw/zinc/72/82/01/386728201.db2.gz IQPXMOKJDCITGQ-SECBINFHSA-N 2 0 239.319 0.746 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H](C)C[NH3+])C(C)C ZINC000357239577 386745529 /nfs/dbraw/zinc/74/55/29/386745529.db2.gz INXHDYNXWRZKGX-JTQLQIEISA-N 2 0 215.341 0.428 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000357240685 386745955 /nfs/dbraw/zinc/74/59/55/386745955.db2.gz JYOGGNHWCNQLIF-LLVKDONJSA-N 2 0 235.331 0.569 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000357240658 386746291 /nfs/dbraw/zinc/74/62/91/386746291.db2.gz JTDHONXKKJOJJS-OPRDCNLKSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000357256643 386748233 /nfs/dbraw/zinc/74/82/33/386748233.db2.gz NIUUKMHVDPRVIM-GFCCVEGCSA-N 2 0 249.358 0.611 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000165932057 386751021 /nfs/dbraw/zinc/75/10/21/386751021.db2.gz MSTAKUXVEXNZMN-LLVKDONJSA-N 2 0 235.331 0.582 20 0 BCADRP CC[C@@H](Cn1cncn1)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425941443 386753094 /nfs/dbraw/zinc/75/30/94/386753094.db2.gz ZLNBGDCTEIINRN-RYUDHWBXSA-N 2 0 239.367 0.844 20 0 BCADRP C[N@H+](CCCn1ccnc1)CCn1cncn1 ZINC000269185826 386760474 /nfs/dbraw/zinc/76/04/74/386760474.db2.gz LRFSHPOLJOYUBN-UHFFFAOYSA-N 2 0 234.307 0.497 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000394974040 386769931 /nfs/dbraw/zinc/76/99/31/386769931.db2.gz ZNMHCGCTLVEEMX-MWLCHTKSSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000417801537 386764248 /nfs/dbraw/zinc/76/42/48/386764248.db2.gz UJWPBZMBUDYUOK-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H](CC(=O)NCC[NH+](C)C)C1CC[NH2+]CC1 ZINC000357248629 386743905 /nfs/dbraw/zinc/74/39/05/386743905.db2.gz RISAXVRSWJDVFU-LLVKDONJSA-N 2 0 241.379 0.690 20 0 BCADRP CC[C@]1(C(=O)NC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000334144507 386744232 /nfs/dbraw/zinc/74/42/32/386744232.db2.gz HNFPCRYSIRHQJN-GFCCVEGCSA-N 2 0 225.336 0.387 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)NCC1C[NH2+]C1 ZINC000417811318 386790717 /nfs/dbraw/zinc/79/07/17/386790717.db2.gz JPFHPSAFHIEGMP-UHFFFAOYSA-N 2 0 242.367 0.237 20 0 BCADRP CC1(C)CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[NH2+]1 ZINC000417830218 386790864 /nfs/dbraw/zinc/79/08/64/386790864.db2.gz IYLPXCMLWGEWCN-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000417811260 386791038 /nfs/dbraw/zinc/79/10/38/386791038.db2.gz JJRMIORAVYCJPL-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417829754 386791063 /nfs/dbraw/zinc/79/10/63/386791063.db2.gz ITGLGNQZWDTUFS-ONGXEEELSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000417828626 386791169 /nfs/dbraw/zinc/79/11/69/386791169.db2.gz FQWAZZHIRCIPBR-KWQFWETISA-N 2 0 225.336 0.323 20 0 BCADRP [NH3+]C[C@H]1CN(CCC2CC[NH2+]CC2)CCO1 ZINC000647908930 386792107 /nfs/dbraw/zinc/79/21/07/386792107.db2.gz UESUDYOPHCJZAR-LBPRGKRZSA-N 2 0 227.352 0.036 20 0 BCADRP CC[NH+](CC)CCOC1CC[NH+](CCO)CC1 ZINC000340865503 386792149 /nfs/dbraw/zinc/79/21/49/386792149.db2.gz SFPPKXWHLJWILO-UHFFFAOYSA-N 2 0 244.379 0.802 20 0 BCADRP C[C@@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)[C@H](C)[NH3+] ZINC000417832672 386793518 /nfs/dbraw/zinc/79/35/18/386793518.db2.gz LJVXIWMVLPILHU-YWVKMMECSA-N 2 0 227.352 0.603 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000417835311 386794356 /nfs/dbraw/zinc/79/43/56/386794356.db2.gz NRYOAOAZDQUBCA-GUBZILKMSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000417836993 386795504 /nfs/dbraw/zinc/79/55/04/386795504.db2.gz MDBITOVOIIZNDV-MXWKQRLJSA-N 2 0 225.336 0.182 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000417836379 386795729 /nfs/dbraw/zinc/79/57/29/386795729.db2.gz LSNHWFDTBNLBRX-NQBHXWOUSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000394974041 386770439 /nfs/dbraw/zinc/77/04/39/386770439.db2.gz ZNMHCGCTLVEEMX-ONGXEEELSA-N 2 0 225.336 0.337 20 0 BCADRP Cn1cncc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125272626 386771729 /nfs/dbraw/zinc/77/17/29/386771729.db2.gz YTGAIPBPUWUIBE-UHTWSYAYSA-N 2 0 234.347 0.979 20 0 BCADRP C[C@H](CNC(=O)CCc1cncn1C)[NH+](C)C ZINC000280107605 386776959 /nfs/dbraw/zinc/77/69/59/386776959.db2.gz BTHHODJVVDANBY-SNVBAGLBSA-N 2 0 238.335 0.419 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000417837159 386796302 /nfs/dbraw/zinc/79/63/02/386796302.db2.gz XLYANVNXFKMXNN-HBNTYKKESA-N 2 0 227.352 0.489 20 0 BCADRP C[C@@H](CNC(=O)CCc1cncn1C)[NH+](C)C ZINC000280107601 386778158 /nfs/dbraw/zinc/77/81/58/386778158.db2.gz BTHHODJVVDANBY-JTQLQIEISA-N 2 0 238.335 0.419 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C1CC1 ZINC000340814209 386779374 /nfs/dbraw/zinc/77/93/74/386779374.db2.gz HJCGZEVSFMLLOW-CMPLNLGQSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC000417837958 386796461 /nfs/dbraw/zinc/79/64/61/386796461.db2.gz MXYONBZWVJSVEI-KKOKHZNYSA-N 2 0 239.363 0.583 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000417814187 386782828 /nfs/dbraw/zinc/78/28/28/386782828.db2.gz NDBIMNAXTCVFTE-LLVKDONJSA-N 2 0 244.383 0.707 20 0 BCADRP CN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@H](C[NH3+])C1CC1 ZINC000417827969 386784129 /nfs/dbraw/zinc/78/41/29/386784129.db2.gz DYFBDONLVVFZII-QJPTWQEYSA-N 2 0 239.363 0.700 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000417825614 386784499 /nfs/dbraw/zinc/78/44/99/386784499.db2.gz BHKCTTUGMMQCGH-BDAKNGLRSA-N 2 0 215.341 0.332 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417837017 386796563 /nfs/dbraw/zinc/79/65/63/386796563.db2.gz PBSBCOIGJSZNBY-SNVBAGLBSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@H](C(=O)N(C)CC[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000417825326 386785003 /nfs/dbraw/zinc/78/50/03/386785003.db2.gz BBDFHLIMLSJPTD-CMPLNLGQSA-N 2 0 235.331 0.740 20 0 BCADRP C[C@@H]1CCN(C(=O)C[NH2+]CC2CC2)C[C@H]1C[NH3+] ZINC000417825852 386785021 /nfs/dbraw/zinc/78/50/21/386785021.db2.gz BPMSLABAKCDAEN-ZYHUDNBSSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000417825854 386785622 /nfs/dbraw/zinc/78/56/22/386785622.db2.gz BQAYIKOOFGWIIV-CIUDSAMLSA-N 2 0 215.341 0.459 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000417825846 386785652 /nfs/dbraw/zinc/78/56/52/386785652.db2.gz BOFLDVSNFVJCAN-SRRSOLGSSA-N 2 0 241.379 0.803 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)NCCCC[NH3+] ZINC000417806905 386788558 /nfs/dbraw/zinc/78/85/58/386788558.db2.gz BXCGGXONRSDNPJ-UHFFFAOYSA-N 2 0 244.383 0.756 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NCC[NH2+]C(C)(C)C ZINC000414933311 386788557 /nfs/dbraw/zinc/78/85/57/386788557.db2.gz DPOSZPYINFRROA-QWRGUYRKSA-N 2 0 213.369 0.962 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC000044526626 386823196 /nfs/dbraw/zinc/82/31/96/386823196.db2.gz KHECTEPPROILEL-LLVKDONJSA-N 2 0 227.352 0.428 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000417836386 386797653 /nfs/dbraw/zinc/79/76/53/386797653.db2.gz LSQXEXRZEGJGJU-NTZNESFSSA-N 2 0 241.379 0.947 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417836585 386797698 /nfs/dbraw/zinc/79/76/98/386797698.db2.gz XDGMJNPPALORPK-GHMZBOCLSA-N 2 0 241.379 0.879 20 0 BCADRP [NH3+]CCCC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417838813 386797754 /nfs/dbraw/zinc/79/77/54/386797754.db2.gz QTXUIJWLSXGFFG-QWHCGFSZSA-N 2 0 247.342 0.597 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417836397 386797973 /nfs/dbraw/zinc/79/79/73/386797973.db2.gz OPIQRNATWYHYCE-KOLCDFICSA-N 2 0 227.352 0.476 20 0 BCADRP CN(CC[NH3+])C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000417843034 386798687 /nfs/dbraw/zinc/79/86/87/386798687.db2.gz QCZQEHZWZXUGHV-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000417845123 386799020 /nfs/dbraw/zinc/79/90/20/386799020.db2.gz RWXJPQJWJASXNG-AXFHLTTASA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C[NH2+]CC1CC1 ZINC000417841114 386800102 /nfs/dbraw/zinc/80/01/02/386800102.db2.gz OYFQVOXZRBBQAL-JTQLQIEISA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417841148 386800136 /nfs/dbraw/zinc/80/01/36/386800136.db2.gz SOAXNGSRMOLZGA-RYUDHWBXSA-N 2 0 241.379 0.851 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000417840586 386800525 /nfs/dbraw/zinc/80/05/25/386800525.db2.gz OQIBOENGURJJKT-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C[NH2+]CC1CC1)C1CCCC1 ZINC000417841309 386800799 /nfs/dbraw/zinc/80/07/99/386800799.db2.gz SZBHDUMCWQAEIP-GFCCVEGCSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1[C@H](NC(=O)NC(C)(C)C[NH3+])CCC[N@@H+]1C ZINC000417995305 386802892 /nfs/dbraw/zinc/80/28/92/386802892.db2.gz DCIWVOPFYACCMP-NXEZZACHSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H](CC[NH3+])C(F)F)C1 ZINC000417852283 386802917 /nfs/dbraw/zinc/80/29/17/386802917.db2.gz NYIFQBVVTPANSU-HLTSFMKQSA-N 2 0 249.305 0.473 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417847658 386804816 /nfs/dbraw/zinc/80/48/16/386804816.db2.gz ZKUURDDEFVZLGI-PSASIEDQSA-N 2 0 213.325 0.215 20 0 BCADRP C[NH2+]CCNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000417861156 386805060 /nfs/dbraw/zinc/80/50/60/386805060.db2.gz XIBKDLDISVSADW-JTQLQIEISA-N 2 0 244.383 0.481 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000417848275 386805452 /nfs/dbraw/zinc/80/54/52/386805452.db2.gz BFHKXWOYGGWPAK-NXEZZACHSA-N 2 0 244.383 0.609 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000417848276 386805669 /nfs/dbraw/zinc/80/56/69/386805669.db2.gz BFHKXWOYGGWPAK-UWVGGRQHSA-N 2 0 244.383 0.609 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000417848234 386805766 /nfs/dbraw/zinc/80/57/66/386805766.db2.gz KISUAXWXEKCTFT-DCAQKATOSA-N 2 0 242.367 0.506 20 0 BCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC[NH3+])C1 ZINC000417869959 386806963 /nfs/dbraw/zinc/80/69/63/386806963.db2.gz GQBLROHEQSSCKP-NSHDSACASA-N 2 0 242.367 0.222 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)N2CC[C@H]([NH3+])C2)CCC[N@@H+]1C ZINC000417993832 386809618 /nfs/dbraw/zinc/80/96/18/386809618.db2.gz BBMYQEVVBLNDOX-VWYCJHECSA-N 2 0 240.351 0.212 20 0 BCADRP [NH3+][C@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000366555275 386831336 /nfs/dbraw/zinc/83/13/36/386831336.db2.gz MCVGEEIXTWRXLL-WHOHXGKFSA-N 2 0 231.299 0.020 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538777 386833421 /nfs/dbraw/zinc/83/34/21/386833421.db2.gz JJNCQGUDLDTSQA-WDEREUQCSA-N 2 0 227.352 0.428 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336675161 386854480 /nfs/dbraw/zinc/85/44/80/386854480.db2.gz VCTLBEMMRIHCDT-MNOVXSKESA-N 2 0 226.320 0.481 20 0 BCADRP CC(C)[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(N)=O ZINC000051919287 386873849 /nfs/dbraw/zinc/87/38/49/386873849.db2.gz MWTGIGVPRXBLSR-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+]CC1(CN2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000334839183 386881797 /nfs/dbraw/zinc/88/17/97/386881797.db2.gz YGNVINVTMFLDOG-CYBMUJFWSA-N 2 0 223.364 0.801 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000418010095 386882785 /nfs/dbraw/zinc/88/27/85/386882785.db2.gz VKDUBHXCHAPSGW-MXWKQRLJSA-N 2 0 242.367 0.376 20 0 BCADRP COC[C@@]1(CNC[C@@H]([NH3+])CC(C)C)CCC[NH2+]1 ZINC000414942403 386889541 /nfs/dbraw/zinc/88/95/41/386889541.db2.gz BUABJTNWHDTDTC-STQMWFEESA-N 2 0 243.395 0.718 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000125904638 386917686 /nfs/dbraw/zinc/91/76/86/386917686.db2.gz BRVBVCCRVRHMHO-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@]1(CN2CCO[C@@H](CF)C2)CC[NH2+]C1 ZINC000334851302 386900053 /nfs/dbraw/zinc/90/00/53/386900053.db2.gz BQWBWXGVKMUQDV-QWRGUYRKSA-N 2 0 216.300 0.656 20 0 BCADRP C[C@@]1(CN2CCO[C@H](CF)C2)CC[NH2+]C1 ZINC000334851287 386900859 /nfs/dbraw/zinc/90/08/59/386900859.db2.gz BQWBWXGVKMUQDV-GHMZBOCLSA-N 2 0 216.300 0.656 20 0 BCADRP C[C@H]1C[C@H](C[N@@H+]2CCN(C)C(=O)C2)CC[NH2+]1 ZINC000334852873 386902340 /nfs/dbraw/zinc/90/23/40/386902340.db2.gz BKJNDGJXJNLGIV-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](O)C2(CC2)C1 ZINC000334852653 386902911 /nfs/dbraw/zinc/90/29/11/386902911.db2.gz XDEIIEYJVORAAF-NEPJUHHUSA-N 2 0 224.348 0.927 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000418012776 386906278 /nfs/dbraw/zinc/90/62/78/386906278.db2.gz YKNSVOBQXYXWLB-IVZWLZJFSA-N 2 0 228.340 0.116 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368155632 386946647 /nfs/dbraw/zinc/94/66/47/386946647.db2.gz PKGSHSJCNQCZRR-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1C[C@H](NC[C@]2(O)CC[NH+](C)C2)CC[N@@H+]1C ZINC000358259723 386922195 /nfs/dbraw/zinc/92/21/95/386922195.db2.gz USEWWZSHMVCCSK-JHJVBQTASA-N 2 0 241.379 0.125 20 0 BCADRP C[C@H]1C[C@@H](C[N@H+](C)C2CC([NH3+])C2)CC[NH2+]1 ZINC000334869594 386929051 /nfs/dbraw/zinc/92/90/51/386929051.db2.gz PMMKNUPFXMQKMH-JYBOHDQNSA-N 3 0 211.353 0.796 20 0 BCADRP C[C@@]1(CN[C@@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000334873130 386932266 /nfs/dbraw/zinc/93/22/66/386932266.db2.gz HENIRLDLVKULQV-VXGBXAGGSA-N 2 0 211.353 0.718 20 0 BCADRP C[C@H]1C[C@H](C[N@H+](C)C2CC(O)C2)CC[NH2+]1 ZINC000334871698 386932640 /nfs/dbraw/zinc/93/26/40/386932640.db2.gz ZPOJTERPCMMQRE-DMOGRIERSA-N 2 0 212.337 0.830 20 0 BCADRP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368088902 386940116 /nfs/dbraw/zinc/94/01/16/386940116.db2.gz GQHVVPSWWVCJHG-TUAOUCFPSA-N 2 0 237.347 0.196 20 0 BCADRP CC(C)[C@H]([NH3+])CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000332014264 386941051 /nfs/dbraw/zinc/94/10/51/386941051.db2.gz PZTSTOAHMCMOPG-QJPTWQEYSA-N 2 0 213.369 0.947 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000368112466 386942163 /nfs/dbraw/zinc/94/21/63/386942163.db2.gz LLLNKIRNHSJVIW-IJLUTSLNSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](CO)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000332056508 386952580 /nfs/dbraw/zinc/95/25/80/386952580.db2.gz XIGBADMQDDUDEA-HBNTYKKESA-N 2 0 200.326 0.864 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000368261038 386955228 /nfs/dbraw/zinc/95/52/28/386955228.db2.gz AGTILRWZKHFUMX-NAKRPEOUSA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+]C[C@H](NC(=O)N1CCCC[C@H]1C[NH3+])C1CC1 ZINC000332130607 386963996 /nfs/dbraw/zinc/96/39/96/386963996.db2.gz JROLYORBWLTUFM-QWRGUYRKSA-N 2 0 240.351 0.247 20 0 BCADRP C[C@@]([NH3+])(C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000368364735 386965709 /nfs/dbraw/zinc/96/57/09/386965709.db2.gz XAQJFMOSURABRS-SFTQSGBHSA-N 2 0 245.326 0.195 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368376038 386967376 /nfs/dbraw/zinc/96/73/76/386967376.db2.gz KRDDRDOQABHHQG-UMNHJUIQSA-N 2 0 225.336 0.324 20 0 BCADRP Cc1noc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000358521642 386971307 /nfs/dbraw/zinc/97/13/07/386971307.db2.gz XVSNZPSOGJMBTD-UHFFFAOYSA-N 2 0 236.319 0.954 20 0 BCADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000332398935 386975832 /nfs/dbraw/zinc/97/58/32/386975832.db2.gz ZIRTUEKBBQXYCQ-STQMWFEESA-N 3 0 240.395 0.141 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000332398933 386976607 /nfs/dbraw/zinc/97/66/07/386976607.db2.gz ZIRTUEKBBQXYCQ-OLZOCXBDSA-N 3 0 240.395 0.141 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+](C)C ZINC000353001286 386987299 /nfs/dbraw/zinc/98/72/99/386987299.db2.gz HMTUNIOFTYRHIJ-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000334921171 386997601 /nfs/dbraw/zinc/99/76/01/386997601.db2.gz DLGMIPHDFUFFDL-WDEREUQCSA-N 2 0 240.351 0.084 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368688300 387001978 /nfs/dbraw/zinc/00/19/78/387001978.db2.gz OJLCOZHRBMNSSH-WISYIIOYSA-N 2 0 237.347 0.182 20 0 BCADRP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000334930474 387006873 /nfs/dbraw/zinc/00/68/73/387006873.db2.gz MSIMXBFFBZUIPW-WDEREUQCSA-N 2 0 240.351 0.084 20 0 BCADRP [NH3+][C@H](C(=O)NCC[NH+]1CCCC1)C1CCC1 ZINC000398980471 387031980 /nfs/dbraw/zinc/03/19/80/387031980.db2.gz DWAGEZMSICDEOH-NSHDSACASA-N 2 0 225.336 0.326 20 0 BCADRP C[N@H+](CCNC(=O)N[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000333403437 387032769 /nfs/dbraw/zinc/03/27/69/387032769.db2.gz QHMAMIRHBQCKBE-SNVBAGLBSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000334959590 387039487 /nfs/dbraw/zinc/03/94/87/387039487.db2.gz ARJXAHHYWXNJPS-DGCLKSJQSA-N 2 0 247.342 0.754 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000333537544 387041992 /nfs/dbraw/zinc/04/19/92/387041992.db2.gz IUKDAIHFGIOBRK-VXGBXAGGSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648107553 387044850 /nfs/dbraw/zinc/04/48/50/387044850.db2.gz GUDNLQWZXTUCGZ-SFYZADRCSA-N 2 0 235.278 0.085 20 0 BCADRP Cc1cc(C)c(CNC(=O)N[C@H]2CC[NH2+]C2)cn1 ZINC000334964056 387045671 /nfs/dbraw/zinc/04/56/71/387045671.db2.gz IVJIVDXBBCZFGU-LBPRGKRZSA-N 2 0 248.330 0.860 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648107554 387045757 /nfs/dbraw/zinc/04/57/57/387045757.db2.gz GUDNLQWZXTUCGZ-YUMQZZPRSA-N 2 0 235.278 0.085 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333646540 387048334 /nfs/dbraw/zinc/04/83/34/387048334.db2.gz JCMRPHNPGOVSCQ-QWRGUYRKSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)[C@H](C)C[NH2+]1 ZINC000648108056 387050833 /nfs/dbraw/zinc/05/08/33/387050833.db2.gz VYBBBKBUORWPAM-BBBLOLIVSA-N 2 0 225.336 0.193 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000648107800 387050982 /nfs/dbraw/zinc/05/09/82/387050982.db2.gz PSEYPGBKYJDIRI-VHSXEESVSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC2([NH3+])CCC2)C1 ZINC000334969839 387054380 /nfs/dbraw/zinc/05/43/80/387054380.db2.gz FKTCGMPSINQCML-NXEZZACHSA-N 2 0 225.336 0.372 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000648108432 387057911 /nfs/dbraw/zinc/05/79/11/387057911.db2.gz UKXZVNSUMOXMQQ-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCN(C)C[C@@H]1C ZINC000228005670 387060663 /nfs/dbraw/zinc/06/06/63/387060663.db2.gz XGJYCQVMMHGOCM-QWRGUYRKSA-N 2 0 227.352 0.380 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000228005459 387060709 /nfs/dbraw/zinc/06/07/09/387060709.db2.gz RKTASHQZCMEGAF-QWRGUYRKSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH+](C)C1(CNC(=O)C(C)(C)[NH3+])CCCC1 ZINC000110374546 387062351 /nfs/dbraw/zinc/06/23/51/387062351.db2.gz RWHHNSPUQZUSFQ-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C[C@@H]21 ZINC000648108892 387064762 /nfs/dbraw/zinc/06/47/62/387064762.db2.gz APBPYKMLZNJCRY-QXMWZZNTSA-N 2 0 249.358 0.038 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000070316792 387065450 /nfs/dbraw/zinc/06/54/50/387065450.db2.gz PJYVZSPURZJMDX-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000334934644 387010717 /nfs/dbraw/zinc/01/07/17/387010717.db2.gz XIUXAHOGGKUNFW-QWRGUYRKSA-N 2 0 240.351 0.132 20 0 BCADRP CC(C)[C@H](C(=O)NCC[NH+](C)C)[C@@H](C)[NH3+] ZINC000399483425 387011646 /nfs/dbraw/zinc/01/16/46/387011646.db2.gz CUIWLXIEXGVPSN-ZJUUUORDSA-N 2 0 215.341 0.284 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000358784105 387013977 /nfs/dbraw/zinc/01/39/77/387013977.db2.gz BYGQIBHONJRNBM-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000358784107 387014384 /nfs/dbraw/zinc/01/43/84/387014384.db2.gz BYGQIBHONJRNBM-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)o1 ZINC000648103338 387019501 /nfs/dbraw/zinc/01/95/01/387019501.db2.gz NQZUSJSBLCDJMZ-SNVBAGLBSA-N 2 0 249.314 0.705 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CCC(C)(C)[NH3+] ZINC000648105251 387022762 /nfs/dbraw/zinc/02/27/62/387022762.db2.gz HRXZPLGPITZUST-ZJUUUORDSA-N 2 0 227.352 0.700 20 0 BCADRP COC[C@@](C)(CCO)[NH2+]CCC1CC[NH2+]CC1 ZINC000359222787 387070087 /nfs/dbraw/zinc/07/00/87/387070087.db2.gz YUCUZNDZTWDXOA-CYBMUJFWSA-N 2 0 244.379 0.753 20 0 BCADRP C[C@@H](NCC1=CC[N@H+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400560768 387075309 /nfs/dbraw/zinc/07/53/09/387075309.db2.gz HUKSSWOPPBAOOB-YPMHNXCESA-N 2 0 223.364 0.978 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000418058277 387078810 /nfs/dbraw/zinc/07/88/10/387078810.db2.gz KQWSWXYIKALLTE-UWVGGRQHSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)NCC1([NH+](C)C)CCC1 ZINC000418064308 387080952 /nfs/dbraw/zinc/08/09/52/387080952.db2.gz UGDYGYRALOIOPL-JTQLQIEISA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000648111252 387081914 /nfs/dbraw/zinc/08/19/14/387081914.db2.gz BEDWCDWMEWTRFT-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000186306855 387087502 /nfs/dbraw/zinc/08/75/02/387087502.db2.gz QECMRGAARGLFTR-LLVKDONJSA-N 2 0 223.320 0.164 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCC[NH2+]2)CC[NH2+]1 ZINC000370091938 387089085 /nfs/dbraw/zinc/08/90/85/387089085.db2.gz DFAKUMBUICWELY-UTUOFQBUSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@H](C)C[NH+](C)C ZINC000352341314 387093027 /nfs/dbraw/zinc/09/30/27/387093027.db2.gz WYUQLFQIESEZCJ-GHMZBOCLSA-N 2 0 244.383 0.576 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000067592182 387097447 /nfs/dbraw/zinc/09/74/47/387097447.db2.gz MTDKZGHOKVGNJF-LBPRGKRZSA-N 2 0 241.379 0.783 20 0 BCADRP C[N@H+]1C[C@@H]2C[NH+](CC[C@H]3CCOC3)C[C@@H]2C1 ZINC000425970925 387097585 /nfs/dbraw/zinc/09/75/85/387097585.db2.gz KRSZTLJCARMHAO-RWMBFGLXSA-N 2 0 224.348 0.906 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186495893 387099776 /nfs/dbraw/zinc/09/97/76/387099776.db2.gz BYQZDXJNDKTQEY-JQWIXIFHSA-N 2 0 239.363 0.857 20 0 BCADRP CC[C@@H](C(=O)N1CC[NH2+]C[C@H]1C)[NH+](CC)CC ZINC000359437357 387102859 /nfs/dbraw/zinc/10/28/59/387102859.db2.gz YGCFLUFPPKGFGR-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000335010059 387104381 /nfs/dbraw/zinc/10/43/81/387104381.db2.gz MIOOEVAKMHKMGM-WDEREUQCSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000335010058 387104617 /nfs/dbraw/zinc/10/46/17/387104617.db2.gz MIOOEVAKMHKMGM-QWRGUYRKSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000370304259 387107252 /nfs/dbraw/zinc/10/72/52/387107252.db2.gz XKWDHAUCPGLCGX-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC000160685202 387112487 /nfs/dbraw/zinc/11/24/87/387112487.db2.gz PFQSKAOCHLLXNK-NWDGAFQWSA-N 2 0 239.363 0.620 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000645666135 387113125 /nfs/dbraw/zinc/11/31/25/387113125.db2.gz MDVIOSRTPFSTFW-VHSXEESVSA-N 2 0 225.336 0.052 20 0 BCADRP CC1(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[NH2+]C1 ZINC000335027594 387120210 /nfs/dbraw/zinc/12/02/10/387120210.db2.gz HFQLSGDEUVFHCA-UHFFFAOYSA-N 2 0 245.326 0.880 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000367350892 387127751 /nfs/dbraw/zinc/12/77/51/387127751.db2.gz YQFACZQHFHAKBN-SNVBAGLBSA-N 2 0 247.342 0.207 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000353128686 387143011 /nfs/dbraw/zinc/14/30/11/387143011.db2.gz LLLNKIRNHSJVIW-WOPDTQHZSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1CC[NH2+]CC1 ZINC000193523475 387146427 /nfs/dbraw/zinc/14/64/27/387146427.db2.gz UQNDWTXXYYLBPK-ONGXEEELSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)C1 ZINC000353166713 387147211 /nfs/dbraw/zinc/14/72/11/387147211.db2.gz KCJOXIAFJJUURJ-GRYCIOLGSA-N 2 0 239.363 0.441 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(C[NH3+])o1 ZINC000186840244 387148441 /nfs/dbraw/zinc/14/84/41/387148441.db2.gz CCDDBIFAWOIUGJ-WPRPVWTQSA-N 2 0 237.303 0.466 20 0 BCADRP CC[C@H](NC[C@@H]([NH3+])C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423311622 387149026 /nfs/dbraw/zinc/14/90/26/387149026.db2.gz CCUMLPVIMZLTAF-WOPDTQHZSA-N 2 0 211.353 0.844 20 0 BCADRP COC1(C[NH2+]C[C@]2(O)CCN(C)C2)CCCC1 ZINC000359701189 387150759 /nfs/dbraw/zinc/15/07/59/387150759.db2.gz RLERXROOYBGMSL-GFCCVEGCSA-N 2 0 242.363 0.602 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000353210339 387159068 /nfs/dbraw/zinc/15/90/68/387159068.db2.gz YYWOWFMCYVZENB-CMPLNLGQSA-N 2 0 239.363 0.524 20 0 BCADRP C[NH+](C)CCCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000085612666 387159291 /nfs/dbraw/zinc/15/92/91/387159291.db2.gz OWEYPKWDPICNQG-JTQLQIEISA-N 2 0 245.392 0.149 20 0 BCADRP COCC[NH2+]CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423318425 387159405 /nfs/dbraw/zinc/15/94/05/387159405.db2.gz BRIKISMFKRNXDO-NWDGAFQWSA-N 2 0 229.368 0.472 20 0 BCADRP COCC[NH2+]CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423321750 387164632 /nfs/dbraw/zinc/16/46/32/387164632.db2.gz FSRKPAVHISEASH-RYUDHWBXSA-N 2 0 229.368 0.343 20 0 BCADRP COCC[NH2+]CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423321749 387164982 /nfs/dbraw/zinc/16/49/82/387164982.db2.gz FSRKPAVHISEASH-NWDGAFQWSA-N 2 0 229.368 0.343 20 0 BCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C2(C)C[NH2+]C2)C1 ZINC000423321956 387165222 /nfs/dbraw/zinc/16/52/22/387165222.db2.gz GRAGCBBXDFVIJB-LLVKDONJSA-N 2 0 239.363 0.444 20 0 BCADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423322688 387165395 /nfs/dbraw/zinc/16/53/95/387165395.db2.gz OEZNSDXALAFXQE-ZYHUDNBSSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062852623 387165396 /nfs/dbraw/zinc/16/53/96/387165396.db2.gz KXYIHFVNDKAQEL-LBPRGKRZSA-N 2 0 227.352 0.444 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@@H]([NH3+])C1CC1 ZINC000423327439 387170706 /nfs/dbraw/zinc/17/07/06/387170706.db2.gz RODRJMHAULVXKR-OASPWFOLSA-N 2 0 223.364 0.796 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@@H](C)C[NH+](C)C ZINC000418179836 387193460 /nfs/dbraw/zinc/19/34/60/387193460.db2.gz AWNLCQNSCMVVAU-QWRGUYRKSA-N 2 0 244.383 0.753 20 0 BCADRP CC[C@@]1(C(=O)NCC(C)(C)[NH+](C)C)CC[NH2+]C1 ZINC000062899408 387179649 /nfs/dbraw/zinc/17/96/49/387179649.db2.gz SAZVJPQBRYDYGT-CYBMUJFWSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1C[C@@H](NC[C@H]([NH3+])C2CC2)C[N@@H+]1C1CC1 ZINC000423337687 387185386 /nfs/dbraw/zinc/18/53/86/387185386.db2.gz YRGZBMZFXPNLJH-XWIASGKRSA-N 2 0 223.364 0.939 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)CC1(C[NH3+])CC1 ZINC000423338973 387188390 /nfs/dbraw/zinc/18/83/90/387188390.db2.gz BGHWNTDNCVIELS-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]CCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973079 387190036 /nfs/dbraw/zinc/19/00/36/387190036.db2.gz CNZNWHZCURJLPU-SNVBAGLBSA-N 2 0 211.309 0.032 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000367350299 387135933 /nfs/dbraw/zinc/13/59/33/387135933.db2.gz UHQBQDLXSZIFPS-QWRGUYRKSA-N 2 0 227.352 0.490 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000370707690 387136973 /nfs/dbraw/zinc/13/69/73/387136973.db2.gz GDOBCKVFWZANEG-LBPRGKRZSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[NH2+]CCN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423305965 387141284 /nfs/dbraw/zinc/14/12/84/387141284.db2.gz CWCHAOLEWFSFDN-STQMWFEESA-N 2 0 241.379 0.343 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000353448415 387204295 /nfs/dbraw/zinc/20/42/95/387204295.db2.gz MHBYESCLKQLQSB-OUAUKWLOSA-N 2 0 227.352 0.345 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000353448416 387204701 /nfs/dbraw/zinc/20/47/01/387204701.db2.gz MHBYESCLKQLQSB-VWYCJHECSA-N 2 0 227.352 0.345 20 0 BCADRP CCC(CC)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000571939393 387206365 /nfs/dbraw/zinc/20/63/65/387206365.db2.gz LLMAROOMAMJWQE-NEPJUHHUSA-N 2 0 239.363 0.666 20 0 BCADRP CCC(CC)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000571939394 387207879 /nfs/dbraw/zinc/20/78/79/387207879.db2.gz LLMAROOMAMJWQE-NWDGAFQWSA-N 2 0 239.363 0.666 20 0 BCADRP COCC[N@@H+]1CC[C@@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000423362132 387211818 /nfs/dbraw/zinc/21/18/18/387211818.db2.gz MUDNZSQRPFMQQJ-CHWSQXEVSA-N 2 0 241.379 0.439 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423366099 387217491 /nfs/dbraw/zinc/21/74/91/387217491.db2.gz XENIDKKPRFSLPM-DMDPSCGWSA-N 2 0 223.364 0.811 20 0 BCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000418203755 387217563 /nfs/dbraw/zinc/21/75/63/387217563.db2.gz WGNZSMGBLJZFLD-WDEREUQCSA-N 2 0 242.367 0.376 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423366100 387219212 /nfs/dbraw/zinc/21/92/12/387219212.db2.gz XENIDKKPRFSLPM-LOWVWBTDSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000418206146 387220397 /nfs/dbraw/zinc/22/03/97/387220397.db2.gz OCXUSVOSVMDUIR-AXFHLTTASA-N 2 0 242.367 0.315 20 0 BCADRP COC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353520986 387220736 /nfs/dbraw/zinc/22/07/36/387220736.db2.gz QPEUVYMFDYCPGN-FDYHWXHSSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418210663 387221126 /nfs/dbraw/zinc/22/11/26/387221126.db2.gz SRAMBMHUWROPQB-WDEREUQCSA-N 2 0 242.367 0.378 20 0 BCADRP COC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353520988 387220964 /nfs/dbraw/zinc/22/09/64/387220964.db2.gz QPEUVYMFDYCPGN-XQHKEYJVSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000418210677 387222248 /nfs/dbraw/zinc/22/22/48/387222248.db2.gz SSAYOTJFDODDCP-VWYCJHECSA-N 2 0 242.367 0.328 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)CC1(C[NH3+])CC1 ZINC000423370018 387224660 /nfs/dbraw/zinc/22/46/60/387224660.db2.gz UANRWNOOIXOKHJ-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C(C[C@H]1CCOC1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000400602317 387225842 /nfs/dbraw/zinc/22/58/42/387225842.db2.gz TWXJQQOYPMJJSN-RWMBFGLXSA-N 2 0 224.348 0.954 20 0 BCADRP COCC[NH2+]CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423326016 387230113 /nfs/dbraw/zinc/23/01/13/387230113.db2.gz IXBVVOKGDGBQPA-UONOGXRCSA-N 2 0 249.358 0.957 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423374842 387253972 /nfs/dbraw/zinc/25/39/72/387253972.db2.gz TZJPVGXUNAJLLP-KXNHARMFSA-N 2 0 211.353 0.844 20 0 BCADRP COCCN1CC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000423396767 387231789 /nfs/dbraw/zinc/23/17/89/387231789.db2.gz SMOBSJZLWHDPHX-AVGNSLFASA-N 2 0 241.379 0.567 20 0 BCADRP CN(C)C(=O)CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000096981705 387232660 /nfs/dbraw/zinc/23/26/60/387232660.db2.gz WNWYYHAPALKUPK-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423398856 387232843 /nfs/dbraw/zinc/23/28/43/387232843.db2.gz UIRAZIQCDUGPOT-KXNHARMFSA-N 2 0 211.353 0.796 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000353576586 387233729 /nfs/dbraw/zinc/23/37/29/387233729.db2.gz IATRZYLTNVMNRC-DTWKUNHWSA-N 2 0 222.292 0.811 20 0 BCADRP CC[NH2+][C@H](C)CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423399506 387235479 /nfs/dbraw/zinc/23/54/79/387235479.db2.gz WHJOXRMGOQRFGA-RAIGVLPGSA-N 2 0 241.379 0.341 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423406596 387242654 /nfs/dbraw/zinc/24/26/54/387242654.db2.gz UWSRNFDRNCLUCI-RHYQMDGZSA-N 2 0 211.353 0.524 20 0 BCADRP COC[C@]1(CN[C@@H]2CCC[C@H]2C[NH3+])CCC[NH2+]1 ZINC000423416542 387247873 /nfs/dbraw/zinc/24/78/73/387247873.db2.gz QXMJNIFWMPFBLX-YNEHKIRRSA-N 2 0 241.379 0.472 20 0 BCADRP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000423416598 387249073 /nfs/dbraw/zinc/24/90/73/387249073.db2.gz FVYSALRJUNSWLP-VWYCJHECSA-N 2 0 214.353 0.981 20 0 BCADRP COC[C@]1(CN[C@H]2CCC[C@@H]2C[NH3+])CCC[NH2+]1 ZINC000423416539 387249282 /nfs/dbraw/zinc/24/92/82/387249282.db2.gz QXMJNIFWMPFBLX-FRRDWIJNSA-N 2 0 241.379 0.472 20 0 BCADRP CC[N@H+]1C[C@H](NC[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000423348144 387197711 /nfs/dbraw/zinc/19/77/11/387197711.db2.gz SSVZHTLTYZSHCT-TUAOUCFPSA-N 2 0 211.353 0.526 20 0 BCADRP COCC[N@@H+]1CC[C@H](N[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000423374253 387198148 /nfs/dbraw/zinc/19/81/48/387198148.db2.gz JQXUMFAMCDVNGZ-AGIUHOORSA-N 2 0 241.379 0.437 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000353423056 387199537 /nfs/dbraw/zinc/19/95/37/387199537.db2.gz CQQNLSFQLUKACM-SRVKXCTJSA-N 2 0 239.363 0.474 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000423348327 387199652 /nfs/dbraw/zinc/19/96/52/387199652.db2.gz SZHDHBOLPHXHHA-AGIUHOORSA-N 2 0 225.380 0.964 20 0 BCADRP CCN1C[C@H](C)[C@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000423348625 387200388 /nfs/dbraw/zinc/20/03/88/387200388.db2.gz UOOWMPGTBVPLLV-WCQYABFASA-N 2 0 223.364 0.836 20 0 BCADRP [NH3+]CCC1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000514945642 387311331 /nfs/dbraw/zinc/31/13/31/387311331.db2.gz OCWPTEBYIJTMIW-LBPRGKRZSA-N 2 0 239.363 0.701 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000423464253 387312433 /nfs/dbraw/zinc/31/24/33/387312433.db2.gz QOGSAAAFVVLHJL-GHMZBOCLSA-N 2 0 229.368 0.722 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[NH2+]CC1 ZINC000395696381 387312581 /nfs/dbraw/zinc/31/25/81/387312581.db2.gz DNAKVUSUYZHBBU-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@]([NH3+])(C(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000195231281 387315924 /nfs/dbraw/zinc/31/59/24/387315924.db2.gz JEZMPOSHZRJUIS-AWEZNQCLSA-N 2 0 247.342 0.810 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000514936454 387316158 /nfs/dbraw/zinc/31/61/58/387316158.db2.gz TYLJTAFTUMTHKM-ZYHUDNBSSA-N 2 0 235.331 0.930 20 0 BCADRP C[C@H](CNC(=O)CC1(C[NH3+])CC1)[N@H+](C)C1CC1 ZINC000423375547 387258226 /nfs/dbraw/zinc/25/82/26/387258226.db2.gz KSIXVRYBRZKVJQ-SNVBAGLBSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423378771 387259041 /nfs/dbraw/zinc/25/90/41/387259041.db2.gz ZVFUBLCUTNALFJ-IJLUTSLNSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423378774 387260443 /nfs/dbraw/zinc/26/04/43/387260443.db2.gz ZVFUBLCUTNALFJ-UTUOFQBUSA-N 2 0 211.353 0.668 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000423378694 387260493 /nfs/dbraw/zinc/26/04/93/387260493.db2.gz MPMAIXKTOGJIHO-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423377569 387260793 /nfs/dbraw/zinc/26/07/93/387260793.db2.gz YZHOHFGNCYJXIX-ZDEQEGDKSA-N 2 0 225.380 0.914 20 0 BCADRP CC[NH2+][C@H](C)CN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000423382340 387265962 /nfs/dbraw/zinc/26/59/62/387265962.db2.gz OJSIRGXFHRMHIG-IJLUTSLNSA-N 2 0 213.369 0.914 20 0 BCADRP CN(C(=O)[C@]12C[C@H]1CC[NH2+]2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000423385902 387270628 /nfs/dbraw/zinc/27/06/28/387270628.db2.gz RJMZQJNAORTLFE-QKCSRTOESA-N 2 0 249.358 0.434 20 0 BCADRP OCCN1CCCC[C@H]1C[NH2+]Cc1cn[nH]c1 ZINC000648643909 387271849 /nfs/dbraw/zinc/27/18/49/387271849.db2.gz OLSLMAOBGFCOGX-LBPRGKRZSA-N 2 0 238.335 0.346 20 0 BCADRP O=C1NCC[C@@H]1[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000372105926 387274272 /nfs/dbraw/zinc/27/42/72/387274272.db2.gz SOOHBGSOADGGQE-RNJOBUHISA-N 2 0 249.358 0.291 20 0 BCADRP CC[C@@H](C(=O)N1CCC([NH+](C)C)CC1)[NH+](C)C ZINC000120843898 387276141 /nfs/dbraw/zinc/27/61/41/387276141.db2.gz BSWUAHJWSNFPBE-LBPRGKRZSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1C[NH2+]CC[C@@H]1C ZINC000423391268 387276295 /nfs/dbraw/zinc/27/62/95/387276295.db2.gz KQQFMJGFNQOTDP-USZNOCQGSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423391281 387276766 /nfs/dbraw/zinc/27/67/66/387276766.db2.gz KQQFMJGFNQOTDP-WYUUTHIRSA-N 2 0 211.353 0.572 20 0 BCADRP Cc1noc(CCC[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)n1 ZINC000514938582 387317813 /nfs/dbraw/zinc/31/78/13/387317813.db2.gz MRYRYAMYBPAGOU-GXSJLCMTSA-N 2 0 238.335 0.980 20 0 BCADRP CC[NH2+][C@H](C)CN[C@@H]1C[N@H+](CC)C[C@H]1C ZINC000423393107 387279247 /nfs/dbraw/zinc/27/92/47/387279247.db2.gz YKHMKAONZRRYIN-IJLUTSLNSA-N 2 0 213.369 0.914 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000423392253 387279491 /nfs/dbraw/zinc/27/94/91/387279491.db2.gz LOJSYPFZOGCMGG-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000514938485 387317878 /nfs/dbraw/zinc/31/78/78/387317878.db2.gz WAJHLUHQIMVDAI-LLVKDONJSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC(C)([NH3+])CC1 ZINC000648120795 387281308 /nfs/dbraw/zinc/28/13/08/387281308.db2.gz QTODNWOAQNYKCP-SECBINFHSA-N 2 0 227.352 0.700 20 0 BCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000514732466 387282957 /nfs/dbraw/zinc/28/29/57/387282957.db2.gz JORTZDZATZNWJP-GYSYKLTISA-N 2 0 249.358 0.339 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000514738875 387283828 /nfs/dbraw/zinc/28/38/28/387283828.db2.gz MGRSLMMYRRSJRS-UWVGGRQHSA-N 2 0 229.368 0.687 20 0 BCADRP CC[NH2+]CCC[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000643499228 387285984 /nfs/dbraw/zinc/28/59/84/387285984.db2.gz LOHAVVMUYDEGQL-NEPJUHHUSA-N 2 0 229.368 0.343 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000514789786 387287306 /nfs/dbraw/zinc/28/73/06/387287306.db2.gz SLAVQAYVLWAXJM-AXFHLTTASA-N 2 0 227.352 0.556 20 0 BCADRP CC[C@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000360465663 387289952 /nfs/dbraw/zinc/28/99/52/387289952.db2.gz GWAASYWLXNMAPW-AAEUAGOBSA-N 2 0 239.363 0.492 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000514860700 387298368 /nfs/dbraw/zinc/29/83/68/387298368.db2.gz RSHHFTRIHQNWOF-KKOKHZNYSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000258848034 387302902 /nfs/dbraw/zinc/30/29/02/387302902.db2.gz QWGDSSYVSLZVMQ-GHMZBOCLSA-N 2 0 227.352 0.381 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)NCCC[NH2+]C1CC1 ZINC000418285432 387304859 /nfs/dbraw/zinc/30/48/59/387304859.db2.gz FLFZVXMXPPMZEJ-VIFPVBQESA-N 2 0 228.340 0.023 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000121186690 387307309 /nfs/dbraw/zinc/30/73/09/387307309.db2.gz JDDLDFKYRSGJOJ-GFCCVEGCSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000572287977 387307700 /nfs/dbraw/zinc/30/77/00/387307700.db2.gz ZRACBEAQAZIKLN-GVXVVHGQSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@]1(C(=O)N2CCC(C)([NH3+])CC2)CCC[NH2+]1 ZINC000648121469 387308304 /nfs/dbraw/zinc/30/83/04/387308304.db2.gz OGKCNUOEYSYTMD-LBPRGKRZSA-N 2 0 225.336 0.468 20 0 BCADRP CCC[C@H](C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[NH+](C)C ZINC000423461563 387308547 /nfs/dbraw/zinc/30/85/47/387308547.db2.gz JUJYSIKNFQHDEM-SDDRHHMPSA-N 2 0 241.379 0.912 20 0 BCADRP CC[N@H+]1C[C@H](NC[C@H]2C[NH2+]CCCO2)[C@@H](C)C1 ZINC000423530286 387358791 /nfs/dbraw/zinc/35/87/91/387358791.db2.gz YTHMCPWGTZDFCU-XQQFMLRXSA-N 2 0 241.379 0.295 20 0 BCADRP C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]CCO2)C[N@@H+]1C1CC1 ZINC000423532485 387358818 /nfs/dbraw/zinc/35/88/18/387358818.db2.gz ZQOVTZZZCJROAD-MDZLAQPJSA-N 2 0 239.363 0.190 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000643502725 387363965 /nfs/dbraw/zinc/36/39/65/387363965.db2.gz ORRYUAOKUOQJCS-GRYCIOLGSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000423543886 387368915 /nfs/dbraw/zinc/36/89/15/387368915.db2.gz IBOVRKTZCCGHPU-UWVGGRQHSA-N 2 0 225.336 0.230 20 0 BCADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCC(N)=O ZINC000360953418 387371932 /nfs/dbraw/zinc/37/19/32/387371932.db2.gz AKEDMSACQILMRB-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000648122932 387372820 /nfs/dbraw/zinc/37/28/20/387372820.db2.gz DFGLELPMZKKSDX-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000515383175 387373310 /nfs/dbraw/zinc/37/33/10/387373310.db2.gz VAPCBSJTHDGEPX-IUCAKERBSA-N 2 0 201.314 0.226 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000643462777 387320726 /nfs/dbraw/zinc/32/07/26/387320726.db2.gz LVWJYTBXCFHSJA-UPJWGTAASA-N 2 0 223.364 0.940 20 0 BCADRP C[C@@]1(C(=O)NC2CC[NH2+]CC2)CCCC[NH2+]1 ZINC000336498323 387323075 /nfs/dbraw/zinc/32/30/75/387323075.db2.gz WPGDCUZPTYIWLB-LBPRGKRZSA-N 2 0 225.336 0.387 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423430542 387327508 /nfs/dbraw/zinc/32/75/08/387327508.db2.gz LAPNXKWDCJELQI-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP COC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C(C)C ZINC000423485371 387331930 /nfs/dbraw/zinc/33/19/30/387331930.db2.gz APHYWDZGAGIUMG-NWDGAFQWSA-N 2 0 230.352 0.626 20 0 BCADRP C[N@H+](CCCO)[C@@H]1CCC[NH+](CCCO)CC1 ZINC000372882047 387333433 /nfs/dbraw/zinc/33/34/33/387333433.db2.gz MCXUZNBYZXLKIH-CYBMUJFWSA-N 2 0 244.379 0.538 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000572347487 387337858 /nfs/dbraw/zinc/33/78/58/387337858.db2.gz YHHKVNSQSBMMFC-WDEREUQCSA-N 2 0 227.352 0.762 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)[C@H]1C ZINC000423496778 387339222 /nfs/dbraw/zinc/33/92/22/387339222.db2.gz XQHPCCNEDXZULA-KXNHARMFSA-N 2 0 212.337 0.999 20 0 BCADRP C[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC000423498798 387341152 /nfs/dbraw/zinc/34/11/52/387341152.db2.gz CFYGMXAOYURUSB-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373042527 387342794 /nfs/dbraw/zinc/34/27/94/387342794.db2.gz MDRZXZPVXJMOHF-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](C)C1C[NH2+]C1 ZINC000572361903 387345906 /nfs/dbraw/zinc/34/59/06/387345906.db2.gz HZRHLLGECNMCDD-PWSUYJOCSA-N 2 0 241.379 0.674 20 0 BCADRP C[C@H](NC[C@H]1C[NH2+]CCN1C)[C@@H]1CCCC[NH2+]1 ZINC000423507104 387345989 /nfs/dbraw/zinc/34/59/89/387345989.db2.gz HPJYHWYXOZNWIF-XQQFMLRXSA-N 2 0 240.395 0.010 20 0 BCADRP C[C@H](NC[C@@H]1C[NH2+]CCN1C)[C@H]1CCCC[NH2+]1 ZINC000423507100 387346120 /nfs/dbraw/zinc/34/61/20/387346120.db2.gz HPJYHWYXOZNWIF-RWMBFGLXSA-N 2 0 240.395 0.010 20 0 BCADRP CC[NH2+]CCCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000515220962 387347392 /nfs/dbraw/zinc/34/73/92/387347392.db2.gz KBQAQMWEDJACKD-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000572362303 387347590 /nfs/dbraw/zinc/34/75/90/387347590.db2.gz CPBODDFQDKWLTA-ONGXEEELSA-N 2 0 221.304 0.397 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH2+]1 ZINC000423782326 387424369 /nfs/dbraw/zinc/42/43/69/387424369.db2.gz ZAZGQFKIYIHVOE-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CC[C@H](C)[NH3+] ZINC000423779059 387425719 /nfs/dbraw/zinc/42/57/19/387425719.db2.gz UMHGEYGTBPUVBB-NWDGAFQWSA-N 2 0 241.379 0.912 20 0 BCADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C[NH3+])c1 ZINC000423793561 387426599 /nfs/dbraw/zinc/42/65/99/387426599.db2.gz XDTYTNZUVMFQET-UHFFFAOYSA-N 2 0 221.304 0.954 20 0 BCADRP C[C@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000374157921 387427640 /nfs/dbraw/zinc/42/76/40/387427640.db2.gz GPQWTKCHCYRUBS-LOWDOPEQSA-N 2 0 224.348 0.783 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)CC1(C[NH3+])CC1 ZINC000423799250 387429678 /nfs/dbraw/zinc/42/96/78/387429678.db2.gz RCBBMZDHUJNLJL-UHFFFAOYSA-N 2 0 241.379 0.916 20 0 BCADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH3+] ZINC000423800325 387429977 /nfs/dbraw/zinc/42/99/77/387429977.db2.gz LJYDBYYBYUCWRE-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](Cc1c[nH]cn1)C(=O)NCC[NH+](C)C ZINC000515864482 387431568 /nfs/dbraw/zinc/43/15/68/387431568.db2.gz DVVIYIZCSXRUSV-VIFPVBQESA-N 2 0 224.308 0.266 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000423820615 387432276 /nfs/dbraw/zinc/43/22/76/387432276.db2.gz PXKVFNIRGXBKEZ-WDEREUQCSA-N 2 0 225.336 0.467 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000423842231 387434607 /nfs/dbraw/zinc/43/46/07/387434607.db2.gz GVPJVBAPVGMLJC-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423837654 387435248 /nfs/dbraw/zinc/43/52/48/387435248.db2.gz BGEKEDAIMDWROR-ZYHUDNBSSA-N 2 0 241.379 0.912 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423855961 387437216 /nfs/dbraw/zinc/43/72/16/387437216.db2.gz XPQYDQDMXQAXFW-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)CC1(C[NH3+])CC1 ZINC000516058479 387450800 /nfs/dbraw/zinc/45/08/00/387450800.db2.gz BVPMJLGQELZCPW-UHFFFAOYSA-N 2 0 227.352 0.620 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000374468737 387456555 /nfs/dbraw/zinc/45/65/55/387456555.db2.gz KHSIOAVUDYCSGH-RHYQMDGZSA-N 2 0 237.347 0.467 20 0 BCADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1CC[NH2+]1 ZINC000423952230 387457051 /nfs/dbraw/zinc/45/70/51/387457051.db2.gz ZYCXXVLZBSWXNB-QWHCGFSZSA-N 2 0 247.342 0.727 20 0 BCADRP [NH3+][C@H]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000374468725 387457363 /nfs/dbraw/zinc/45/73/63/387457363.db2.gz KHSIOAVUDYCSGH-KXNHARMFSA-N 2 0 237.347 0.467 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000423953221 387457415 /nfs/dbraw/zinc/45/74/15/387457415.db2.gz AXSUTXGEAXXRRB-SDDRHHMPSA-N 2 0 239.363 0.666 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000423953217 387458095 /nfs/dbraw/zinc/45/80/95/387458095.db2.gz AXSUTXGEAXXRRB-QJPTWQEYSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000374482573 387459196 /nfs/dbraw/zinc/45/91/96/387459196.db2.gz PIUZMDZZONNJMS-ZJUUUORDSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+][C@@H]1CCC[C@]12CCN(C(=O)[C@@H]1CCC[NH2+]1)C2 ZINC000373615102 387385866 /nfs/dbraw/zinc/38/58/66/387385866.db2.gz GZAVJNNEBSIIRW-DMDPSCGWSA-N 2 0 237.347 0.468 20 0 BCADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000423604346 387385899 /nfs/dbraw/zinc/38/58/99/387385899.db2.gz FKGQCQKGRKDJAY-HBNTYKKESA-N 2 0 227.352 0.556 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000423615191 387387047 /nfs/dbraw/zinc/38/70/47/387387047.db2.gz YCUBPABVMKVLJI-VWYCJHECSA-N 2 0 229.368 0.720 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000423626574 387389315 /nfs/dbraw/zinc/38/93/15/387389315.db2.gz HKENPBBFXKRJCW-OPRDCNLKSA-N 2 0 215.341 0.330 20 0 BCADRP CCC[C@H](C(=O)NC[C@@H](C)[NH2+]C)[NH+](C)C ZINC000423625424 387389552 /nfs/dbraw/zinc/38/95/52/387389552.db2.gz FPWBQVCSXYTWIU-NXEZZACHSA-N 2 0 215.341 0.441 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000423656528 387392094 /nfs/dbraw/zinc/39/20/94/387392094.db2.gz XAIJRQSEYNFKMA-NNYUYHANSA-N 2 0 239.363 0.807 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)[NH+](C)C ZINC000423656168 387392397 /nfs/dbraw/zinc/39/23/97/387392397.db2.gz WLLPFVALYMUTSL-DCAQKATOSA-N 2 0 227.352 0.521 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)[NH+](C)C ZINC000423971798 387460073 /nfs/dbraw/zinc/46/00/73/387460073.db2.gz HKBNZTWGCVWLFK-OUAUKWLOSA-N 2 0 227.352 0.378 20 0 BCADRP CCC[C@@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[NH+](C)C ZINC000423665949 387393148 /nfs/dbraw/zinc/39/31/48/387393148.db2.gz KTMNCPCVLYEFIQ-ZRUFSTJUSA-N 2 0 225.336 0.051 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423976624 387460133 /nfs/dbraw/zinc/46/01/33/387460133.db2.gz MUUULFZPJUAAIS-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC[N@@H+]1C ZINC000648112099 387394505 /nfs/dbraw/zinc/39/45/05/387394505.db2.gz UOJVDJSGVXMKLP-IRCOFANPSA-N 2 0 239.363 0.441 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000423679127 387395097 /nfs/dbraw/zinc/39/50/97/387395097.db2.gz LPVIHGSMUTWXGF-BDAKNGLRSA-N 2 0 236.319 0.613 20 0 BCADRP CCC[C@H](C(=O)NC[C@@H]([NH3+])CC)[NH+](C)C ZINC000423676277 387395987 /nfs/dbraw/zinc/39/59/87/387395987.db2.gz IQFWTKICEUDTEA-VHSXEESVSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000373890295 387401649 /nfs/dbraw/zinc/40/16/49/387401649.db2.gz DGPMESYHDJSXHO-QJPTWQEYSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000423736558 387404537 /nfs/dbraw/zinc/40/45/37/387404537.db2.gz SNKZKCULCYNQCD-NSHDSACASA-N 2 0 249.358 0.959 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CC1(C[NH3+])CC1 ZINC000423976048 387460759 /nfs/dbraw/zinc/46/07/59/387460759.db2.gz FHRAGUIKDMDHTL-VIFPVBQESA-N 2 0 227.352 0.605 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000423970271 387460793 /nfs/dbraw/zinc/46/07/93/387460793.db2.gz FUYPFUVODRWKQA-UWVGGRQHSA-N 2 0 227.352 0.557 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000423760251 387413564 /nfs/dbraw/zinc/41/35/64/387413564.db2.gz PZCCNMLTIVKWGO-LBPRGKRZSA-N 2 0 239.363 0.524 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000423776976 387423257 /nfs/dbraw/zinc/42/32/57/387423257.db2.gz QXOFSAXHCHZMAC-TUAOUCFPSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000361620678 387509686 /nfs/dbraw/zinc/50/96/86/387509686.db2.gz JOHJMKRJCTXHHJ-LLVKDONJSA-N 2 0 241.379 0.997 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000375428215 387538942 /nfs/dbraw/zinc/53/89/42/387538942.db2.gz MXIGHXLPYRPXRG-ZPFDUUQYSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000375423473 387538957 /nfs/dbraw/zinc/53/89/57/387538957.db2.gz BMXXLUMVMZIUCY-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000162092886 387462862 /nfs/dbraw/zinc/46/28/62/387462862.db2.gz WVCICWAOFKSLMS-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000423997945 387463628 /nfs/dbraw/zinc/46/36/28/387463628.db2.gz MABJEPWHWUAXAH-RYUDHWBXSA-N 2 0 241.379 0.772 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000424016066 387466760 /nfs/dbraw/zinc/46/67/60/387466760.db2.gz BBPZCYHUJXKXER-WCQYABFASA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCC[NH2+]C ZINC000424017040 387467027 /nfs/dbraw/zinc/46/70/27/387467027.db2.gz FQGBLRFKPOEIAK-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000424021507 387467927 /nfs/dbraw/zinc/46/79/27/387467927.db2.gz QZMVFLHQLXDORI-RYUDHWBXSA-N 2 0 241.379 0.688 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000516183018 387469069 /nfs/dbraw/zinc/46/90/69/387469069.db2.gz DXEVEOAMMUCWCN-KXUCPTDWSA-N 2 0 213.325 0.371 20 0 BCADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000114072917 387469853 /nfs/dbraw/zinc/46/98/53/387469853.db2.gz CURNRDSNYPDDFM-GFCCVEGCSA-N 2 0 239.363 0.633 20 0 BCADRP CCC[N@H+](C)CC(=O)NC(C)(C)CC[NH3+] ZINC000424046959 387470001 /nfs/dbraw/zinc/47/00/01/387470001.db2.gz MTELSFLAVMLGCK-UHFFFAOYSA-N 2 0 215.341 0.572 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424047816 387470870 /nfs/dbraw/zinc/47/08/70/387470870.db2.gz XLYYMZOPVAOXNF-WCABBAIRSA-N 2 0 225.336 0.384 20 0 BCADRP C[C@H](O)C[NH+](C)C/C=C/C[N@@H+](C)C[C@H](C)O ZINC000361499871 387475174 /nfs/dbraw/zinc/47/51/74/387475174.db2.gz WOQQEXFDSULKBT-WTIVYXKASA-N 2 0 230.352 0.168 20 0 BCADRP Cc1cnn(CC[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000304437636 387479789 /nfs/dbraw/zinc/47/97/89/387479789.db2.gz URNWZZSMETZMPP-NEPJUHHUSA-N 2 0 222.336 0.861 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1NCC[NH2+]C1CC1 ZINC000643508039 387481488 /nfs/dbraw/zinc/48/14/88/387481488.db2.gz CYADGTYXHGNYFQ-JQWIXIFHSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)[C@H]2CC[NH2+]2)C[C@@H]1C[NH3+] ZINC000424083793 387482661 /nfs/dbraw/zinc/48/26/61/387482661.db2.gz YJBPFIGQUCDGEF-VPOLOUISSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@@H](NCC[NH2+]C1CC1)[C@H]1CCCC[NH2+]1 ZINC000643508081 387483733 /nfs/dbraw/zinc/48/37/33/387483733.db2.gz HZFAWQSUUWJURF-ZYHUDNBSSA-N 2 0 211.353 0.859 20 0 BCADRP C(C[NH2+]C1CC1)N[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000643508120 387484546 /nfs/dbraw/zinc/48/45/46/387484546.db2.gz MJDHTYUAOXWVHW-OLZOCXBDSA-N 2 0 239.363 0.095 20 0 BCADRP CCN(CC)C(=O)C[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000396746740 387488167 /nfs/dbraw/zinc/48/81/67/387488167.db2.gz ZRAZKPFAJIOPAE-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000040831326 387584079 /nfs/dbraw/zinc/58/40/79/387584079.db2.gz XGRXEPLRDKFOKA-GHMZBOCLSA-N 2 0 229.368 0.816 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000040833012 387585033 /nfs/dbraw/zinc/58/50/33/387585033.db2.gz AVFZFLYMSPTOOZ-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CCN(C)C(C)C ZINC000234784076 134583895 /nfs/dbraw/zinc/58/38/95/134583895.db2.gz IMGXVAWPEFDZQZ-LBPRGKRZSA-N 2 0 231.384 0.670 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000238065822 387593365 /nfs/dbraw/zinc/59/33/65/387593365.db2.gz INUVMVXCANXLIV-STQMWFEESA-N 2 0 245.326 0.261 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422534534 387594866 /nfs/dbraw/zinc/59/48/66/387594866.db2.gz BDFMMYCIDTVDPW-VWYCJHECSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422535784 387595117 /nfs/dbraw/zinc/59/51/17/387595117.db2.gz DEFYFDPBQQIFSB-SRVKXCTJSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)NC(C)(C)CC[NH3+] ZINC000422604450 387606027 /nfs/dbraw/zinc/60/60/27/387606027.db2.gz BVUZAFVIWYJOQD-VIFPVBQESA-N 2 0 230.356 0.269 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC(C)(C)CC[NH3+] ZINC000422607571 387606246 /nfs/dbraw/zinc/60/62/46/387606246.db2.gz LCDLLBQEYLMTTQ-NXEZZACHSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@@H](CNC(=O)NC(C)(C)CC[NH3+])[NH+](C)C ZINC000422617154 387608330 /nfs/dbraw/zinc/60/83/30/387608330.db2.gz JKRMURDFTODJPU-VIFPVBQESA-N 2 0 230.356 0.363 20 0 BCADRP CCC[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000422682759 387609998 /nfs/dbraw/zinc/60/99/98/387609998.db2.gz BPHMCWYTPPZOLF-GHMZBOCLSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@@H]1C[C@@H](C)[N@H+](CCOCC[NH3+])C[C@@H]1C[NH3+] ZINC000422636572 387611458 /nfs/dbraw/zinc/61/14/58/387611458.db2.gz NCZGCUWIHLBNOJ-UTUOFQBUSA-N 3 0 229.368 0.267 20 0 BCADRP CC[N@@H+]1CC[C@H](CN[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422687714 387612727 /nfs/dbraw/zinc/61/27/27/387612727.db2.gz BYKASLQYIHTPCT-UPJWGTAASA-N 2 0 225.380 0.916 20 0 BCADRP COCC[N@@H+]1CCC[C@@H]1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000422712257 387624673 /nfs/dbraw/zinc/62/46/73/387624673.db2.gz NUDKDOZLQUYEDE-AGIUHOORSA-N 2 0 241.379 0.567 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN1CCSCC1 ZINC000422712497 387625532 /nfs/dbraw/zinc/62/55/32/387625532.db2.gz OILJVMSZYZYFTK-WDEREUQCSA-N 2 0 231.409 0.751 20 0 BCADRP COCC[N@@H+]1CCC[C@@H]1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422712693 387626065 /nfs/dbraw/zinc/62/60/65/387626065.db2.gz ONTIPHKYGIMELX-FRRDWIJNSA-N 2 0 243.395 0.813 20 0 BCADRP COCC[N@@H+]1CCC[C@@H]1CN[C@H](C)C[C@H](C)[NH3+] ZINC000422712696 387626446 /nfs/dbraw/zinc/62/64/46/387626446.db2.gz ONTIPHKYGIMELX-YNEHKIRRSA-N 2 0 243.395 0.813 20 0 BCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000426347159 387558492 /nfs/dbraw/zinc/55/84/92/387558492.db2.gz RZTVJVGCYJJCAR-YFKTTZPYSA-N 2 0 239.363 0.583 20 0 BCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000426347157 387558713 /nfs/dbraw/zinc/55/87/13/387558713.db2.gz RZTVJVGCYJJCAR-NNYUYHANSA-N 2 0 239.363 0.583 20 0 BCADRP Cn1nccc1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037648935 387564497 /nfs/dbraw/zinc/56/44/97/387564497.db2.gz YDNFVFFGYPJARW-NSHDSACASA-N 2 0 234.347 0.994 20 0 BCADRP CC(C)[C@H](C(=O)NCC[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000399694021 387564957 /nfs/dbraw/zinc/56/49/57/387564957.db2.gz YVCTXJWCOKQLDK-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000376381770 387627549 /nfs/dbraw/zinc/62/75/49/387627549.db2.gz CCYBAPAYHUJRTG-TUAOUCFPSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)[C@@H](C(=O)NCCC[NH+](C)C)[C@H](C)[NH3+] ZINC000399727223 387567590 /nfs/dbraw/zinc/56/75/90/387567590.db2.gz KTAFLHVJOPGAES-WDEREUQCSA-N 2 0 229.368 0.674 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000399727211 387567868 /nfs/dbraw/zinc/56/78/68/387567868.db2.gz KSNGBLXLCBQLDS-MNOVXSKESA-N 2 0 229.368 0.674 20 0 BCADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCN1CCSCC1 ZINC000422718390 387629934 /nfs/dbraw/zinc/62/99/34/387629934.db2.gz XCOHFMYTCLFODP-WDEREUQCSA-N 2 0 229.393 0.505 20 0 BCADRP CC(C)N(CC[C@@H]1CCC[N@@H+]1C)CC(N)=O ZINC000124745813 387630393 /nfs/dbraw/zinc/63/03/93/387630393.db2.gz CVDFLWKGISXOTP-NSHDSACASA-N 2 0 227.352 0.666 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCN1CCSCC1 ZINC000422718388 387631510 /nfs/dbraw/zinc/63/15/10/387631510.db2.gz XCOHFMYTCLFODP-MNOVXSKESA-N 2 0 229.393 0.505 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCN1CCSCC1 ZINC000422718389 387631640 /nfs/dbraw/zinc/63/16/40/387631640.db2.gz XCOHFMYTCLFODP-QWRGUYRKSA-N 2 0 229.393 0.505 20 0 BCADRP C[C@@H](NC[C@H](C)C[NH+]1CCCC1)C1C[NH2+]C1 ZINC000422725661 387636849 /nfs/dbraw/zinc/63/68/49/387636849.db2.gz YJTNVIZOFUKESZ-NWDGAFQWSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000430699262 387639816 /nfs/dbraw/zinc/63/98/16/387639816.db2.gz YALMEVVMZUTMRD-PSASIEDQSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC000422733191 387641173 /nfs/dbraw/zinc/64/11/73/387641173.db2.gz QFUOAPCYOXLROS-UHFFFAOYSA-N 2 0 236.319 0.487 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)[C@@H](C)C[NH2+]1 ZINC000356343319 387646607 /nfs/dbraw/zinc/64/66/07/387646607.db2.gz JYIKJYCETVDRBY-VWYCJHECSA-N 2 0 225.336 0.337 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@]1(F)CC[NH2+]C1)C1CC1 ZINC000376526322 387646922 /nfs/dbraw/zinc/64/69/22/387646922.db2.gz GVTXWCSFRHGWSS-GFCCVEGCSA-N 2 0 243.326 0.289 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000430741803 387647198 /nfs/dbraw/zinc/64/71/98/387647198.db2.gz FAWGICLFOIDAFB-DCAQKATOSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000422746167 387651287 /nfs/dbraw/zinc/65/12/87/387651287.db2.gz WBVXXFJVAAEFJY-GARJFASQSA-N 2 0 211.353 0.939 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH3+])C[C@@H]1C ZINC000430795862 387652172 /nfs/dbraw/zinc/65/21/72/387652172.db2.gz IMXCEHWTVWYABR-HBNTYKKESA-N 2 0 227.352 0.665 20 0 BCADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@H](C)N1CCOCC1 ZINC000422747966 387654053 /nfs/dbraw/zinc/65/40/53/387654053.db2.gz ZZPDKEWRXBVXFB-RVMXOQNASA-N 2 0 243.395 0.811 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430889280 387657984 /nfs/dbraw/zinc/65/79/84/387657984.db2.gz KRAXNZAQDYHBOR-NEPJUHHUSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@H]([NH2+]CCCN1CCCC1=O)[C@H]1CCC[NH2+]1 ZINC000422755827 387658256 /nfs/dbraw/zinc/65/82/56/387658256.db2.gz BPZCWXRMODHKHK-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430899584 387658469 /nfs/dbraw/zinc/65/84/69/387658469.db2.gz MECWOTGCYAKNGR-GXSJLCMTSA-N 2 0 225.336 0.419 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430889282 387658872 /nfs/dbraw/zinc/65/88/72/387658872.db2.gz KRAXNZAQDYHBOR-RYUDHWBXSA-N 2 0 239.363 0.809 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430890637 387658956 /nfs/dbraw/zinc/65/89/56/387658956.db2.gz RHEYCIBDLHKVTP-VXGBXAGGSA-N 2 0 239.363 0.665 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430896930 387659531 /nfs/dbraw/zinc/65/95/31/387659531.db2.gz LRKJVBATWGHPFJ-JQWIXIFHSA-N 2 0 239.363 0.537 20 0 BCADRP [NH3+]C[C@H]1CC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000430921944 387660610 /nfs/dbraw/zinc/66/06/10/387660610.db2.gz VXYCHVSSJFGENO-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP CC[C@H](O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000305841584 387664319 /nfs/dbraw/zinc/66/43/19/387664319.db2.gz RGZRPOJJGGTAPB-ZDUSSCGKSA-N 2 0 243.395 0.327 20 0 BCADRP COCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000305966087 387668312 /nfs/dbraw/zinc/66/83/12/387668312.db2.gz XUJIOXPHUDYDNB-JHJVBQTASA-N 2 0 242.363 0.600 20 0 BCADRP COCC[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000305966093 387668550 /nfs/dbraw/zinc/66/85/50/387668550.db2.gz XUJIOXPHUDYDNB-YNEHKIRRSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)C[NH3+] ZINC000431019069 387670409 /nfs/dbraw/zinc/67/04/09/387670409.db2.gz KPMGYJUXPFQRJC-KOLCDFICSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C(C)(C)C[NH3+])C[N@@H+]1C1CC1 ZINC000431027955 387670446 /nfs/dbraw/zinc/67/04/46/387670446.db2.gz ZPAHDVCCEIZOHM-ZJUUUORDSA-N 2 0 239.363 0.713 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000431021690 387670893 /nfs/dbraw/zinc/67/08/93/387670893.db2.gz ARYGVWRYDLLVTK-DVVUODLYSA-N 2 0 225.336 0.323 20 0 BCADRP CC(C)[C@H](O)CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000422775875 387671725 /nfs/dbraw/zinc/67/17/25/387671725.db2.gz BPRQMRBBPXOSKF-IJLUTSLNSA-N 2 0 214.353 0.981 20 0 BCADRP CCC[C@H](C(=O)N1CCC[C@@H]([NH2+]C)C1)[NH+](C)C ZINC000422775041 387672901 /nfs/dbraw/zinc/67/29/01/387672901.db2.gz ZNIBPWOLNQFUSQ-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424139005 387674098 /nfs/dbraw/zinc/67/40/98/387674098.db2.gz DRTYCTNMYTYPDW-YTWAJWBKSA-N 2 0 223.320 0.029 20 0 BCADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422776548 387675586 /nfs/dbraw/zinc/67/55/86/387675586.db2.gz CWEZACPAHWDGFH-HBNTYKKESA-N 2 0 200.326 0.863 20 0 BCADRP CCC[C@H](C(=O)NCC[C@H](C)[NH3+])[NH+](C)C ZINC000422782868 387680311 /nfs/dbraw/zinc/68/03/11/387680311.db2.gz NOIHAIPSEOERHE-VHSXEESVSA-N 2 0 215.341 0.570 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000376984493 387683556 /nfs/dbraw/zinc/68/35/56/387683556.db2.gz ASDVNDMLVNVENC-JQWIXIFHSA-N 2 0 227.352 0.762 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C ZINC000356644303 387685438 /nfs/dbraw/zinc/68/54/38/387685438.db2.gz MCAYPRGDHVSJPB-NSHDSACASA-N 2 0 229.368 0.785 20 0 BCADRP c1cn(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nn1 ZINC000126522633 387686970 /nfs/dbraw/zinc/68/69/70/387686970.db2.gz KNMWYYHRIHHEKP-CHWSQXEVSA-N 2 0 249.362 0.885 20 0 BCADRP COCCC[N@H+](C)CCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422786195 387687092 /nfs/dbraw/zinc/68/70/92/387687092.db2.gz SIOUCYMWYWSUHG-QWHCGFSZSA-N 2 0 243.395 0.685 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC[NH2+]C1 ZINC000377082964 387690556 /nfs/dbraw/zinc/69/05/56/387690556.db2.gz MEXDUDQASQSXAG-MDZLAQPJSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC000422862222 387743117 /nfs/dbraw/zinc/74/31/17/387743117.db2.gz PKBBNTQTBSDZGD-LLVKDONJSA-N 2 0 237.347 0.468 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+](C)C ZINC000377745728 387743696 /nfs/dbraw/zinc/74/36/96/387743696.db2.gz BDMBPFNGMXYHIE-VXGBXAGGSA-N 2 0 241.379 0.688 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]1C[NH3+])[C@H](C)[NH3+] ZINC000422866603 387747130 /nfs/dbraw/zinc/74/71/30/387747130.db2.gz QXBUBXUIQMVVMO-YFKTTZPYSA-N 2 0 241.379 0.849 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000422863437 387747556 /nfs/dbraw/zinc/74/75/56/387747556.db2.gz PBFGXSLBVOPQSH-GHMZBOCLSA-N 2 0 239.363 0.749 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000422863442 387747731 /nfs/dbraw/zinc/74/77/31/387747731.db2.gz PBFGXSLBVOPQSH-WDEREUQCSA-N 2 0 239.363 0.749 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH2+]C1 ZINC000422871525 387749788 /nfs/dbraw/zinc/74/97/88/387749788.db2.gz DABCFPYVAVJJSH-FOGDFJRCSA-N 2 0 209.337 0.421 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CC1(C[NH3+])CC1 ZINC000422871666 387750082 /nfs/dbraw/zinc/75/00/82/387750082.db2.gz ZMSQOFKAONHSKS-LBPRGKRZSA-N 2 0 241.379 0.995 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)CC1(C[NH3+])CC1 ZINC000422867754 387750093 /nfs/dbraw/zinc/75/00/93/387750093.db2.gz STOYDJAJGXARRA-NSHDSACASA-N 2 0 227.352 0.605 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000377167766 387697524 /nfs/dbraw/zinc/69/75/24/387697524.db2.gz NPXHSESPTIWDKQ-VIFPVBQESA-N 2 0 225.336 0.324 20 0 BCADRP COC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127034700 387704329 /nfs/dbraw/zinc/70/43/29/387704329.db2.gz CCGDZFOOOKSKRW-CHWSQXEVSA-N 2 0 242.363 0.411 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)[NH+](C)C ZINC000629614003 387713441 /nfs/dbraw/zinc/71/34/41/387713441.db2.gz VCNAZPZMRWDSCV-GUBZILKMSA-N 2 0 231.315 0.143 20 0 BCADRP CC[C@H](C(=O)N[C@H](C)[C@@H](C)[NH3+])[NH+](C)C ZINC000629614018 387713704 /nfs/dbraw/zinc/71/37/04/387713704.db2.gz VIRGNPIUAPLSMK-IWSPIJDZSA-N 2 0 201.314 0.179 20 0 BCADRP CC[C@H](C(=O)NCC12CC(C1)C[NH2+]2)[NH+](C)C ZINC000629614128 387714629 /nfs/dbraw/zinc/71/46/29/387714629.db2.gz YLKNJMDSERSADW-SQLBVSGCSA-N 2 0 225.336 0.195 20 0 BCADRP CC[N@H+](CCN[C@H](C)C1C[NH2+]C1)C(C)C ZINC000422879550 387755487 /nfs/dbraw/zinc/75/54/87/387755487.db2.gz MLYQFCFELZRMTF-LLVKDONJSA-N 2 0 213.369 0.914 20 0 BCADRP C[C@H](N[C@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000643522749 387722062 /nfs/dbraw/zinc/72/20/62/387722062.db2.gz BYUAIRTXCAABAM-SRVKXCTJSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000377560132 387728110 /nfs/dbraw/zinc/72/81/10/387728110.db2.gz DFPAMVDNCRQUPE-WRWGMCAJSA-N 2 0 239.363 0.631 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000422834978 387729684 /nfs/dbraw/zinc/72/96/84/387729684.db2.gz XVGVYJCRSNZTAO-SNVBAGLBSA-N 2 0 246.314 0.920 20 0 BCADRP COCC[N@H+](C)CCCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422841394 387731688 /nfs/dbraw/zinc/73/16/88/387731688.db2.gz CWOQYDVKLSURRM-CHWSQXEVSA-N 2 0 243.395 0.672 20 0 BCADRP C[C@@H]1CCCN(C(=O)CC2(C[NH3+])CC2)[C@@H]1C[NH3+] ZINC000422845516 387735089 /nfs/dbraw/zinc/73/50/89/387735089.db2.gz CAVXSSXKDWINTC-GHMZBOCLSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@H]1CCCN(C(=O)CC2(C[NH3+])CC2)[C@H]1C[NH3+] ZINC000422845517 387735792 /nfs/dbraw/zinc/73/57/92/387735792.db2.gz CAVXSSXKDWINTC-MNOVXSKESA-N 2 0 239.363 0.701 20 0 BCADRP COCC[N@H+](C)CCCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422852226 387738951 /nfs/dbraw/zinc/73/89/51/387738951.db2.gz XSDVHFYMTWFICM-CHWSQXEVSA-N 2 0 243.395 0.685 20 0 BCADRP COCCN1CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422889759 387762733 /nfs/dbraw/zinc/76/27/33/387762733.db2.gz QNANXEQWYFAIFJ-CHWSQXEVSA-N 2 0 243.395 0.814 20 0 BCADRP COCCN1CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422889762 387763080 /nfs/dbraw/zinc/76/30/80/387763080.db2.gz QNANXEQWYFAIFJ-STQMWFEESA-N 2 0 243.395 0.814 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C1(C)C[NH2+]C1 ZINC000422898378 387765663 /nfs/dbraw/zinc/76/56/63/387765663.db2.gz DYNXAQSAPGGABE-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000441621885 387773180 /nfs/dbraw/zinc/77/31/80/387773180.db2.gz PLWFFDPDUCOWKE-CMPLNLGQSA-N 2 0 235.331 0.440 20 0 BCADRP CC[C@@H](C(=O)NC[C@H](C)C[NH3+])[NH+](CC)CC ZINC000441628513 387774313 /nfs/dbraw/zinc/77/43/13/387774313.db2.gz RCEYBPQYVINNBZ-MNOVXSKESA-N 2 0 229.368 0.818 20 0 BCADRP C[C@@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)C1C[NH2+]C1 ZINC000422919378 387775145 /nfs/dbraw/zinc/77/51/45/387775145.db2.gz JSYZSDBFXGPVMD-IQIPOGNMSA-N 2 0 237.347 0.193 20 0 BCADRP Cc1cccc(NCC[NH2+][C@H](C)C2C[NH2+]C2)n1 ZINC000422920371 387775927 /nfs/dbraw/zinc/77/59/27/387775927.db2.gz MPPVQCMPFPVMGR-LLVKDONJSA-N 2 0 234.347 0.999 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000422924090 387776990 /nfs/dbraw/zinc/77/69/90/387776990.db2.gz XQGVVBLIFRGXOW-GUBZILKMSA-N 2 0 225.336 0.465 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000422925207 387777404 /nfs/dbraw/zinc/77/74/04/387777404.db2.gz ZWQMWYRUUKJMJO-IIRVCBMXSA-N 2 0 239.363 0.711 20 0 BCADRP CC1CC[NH+](C[C@@H](O)CN[C@H]2CC[NH2+]C2)CC1 ZINC000422979090 387789671 /nfs/dbraw/zinc/78/96/71/387789671.db2.gz LGADFJKVWUTDPO-STQMWFEESA-N 2 0 241.379 0.031 20 0 BCADRP O=C(C1C[NH2+]C1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000378644325 387790763 /nfs/dbraw/zinc/79/07/63/387790763.db2.gz XTUYTGOPITYABM-ZYHUDNBSSA-N 2 0 237.347 0.196 20 0 BCADRP CC(C)C(=O)N[C@@H]1CCCN(C[C@H](C)[NH3+])C1 ZINC000442660082 387812878 /nfs/dbraw/zinc/81/28/78/387812878.db2.gz LSWSUJVVFPKDNO-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)C(=O)N[C@H]1CCCN(C[C@H](C)[NH3+])C1 ZINC000442660081 387812921 /nfs/dbraw/zinc/81/29/21/387812921.db2.gz LSWSUJVVFPKDNO-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]CCCNC(=O)NCC1([NH3+])CCCCC1 ZINC000418298674 387796339 /nfs/dbraw/zinc/79/63/39/387796339.db2.gz QQTKHOWIVTXZTL-UHFFFAOYSA-N 2 0 228.340 0.296 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000193614760 387798233 /nfs/dbraw/zinc/79/82/33/387798233.db2.gz OJERVBQZKOTCDI-GARJFASQSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000193639752 387798659 /nfs/dbraw/zinc/79/86/59/387798659.db2.gz BJPUDFPILMWWLQ-MWLCHTKSSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H](N[C@H]1C[N@H+](C)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000422988089 387798711 /nfs/dbraw/zinc/79/87/11/387798711.db2.gz ICTIXDATTJJFBX-VOAKCMCISA-N 2 0 225.380 0.914 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422990243 387799358 /nfs/dbraw/zinc/79/93/58/387799358.db2.gz MYZUIOXGLABICH-WYUUTHIRSA-N 2 0 211.353 0.524 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])CCSC ZINC000309464896 387801763 /nfs/dbraw/zinc/80/17/63/387801763.db2.gz PTAQHLKCKNVRNN-BDAKNGLRSA-N 2 0 233.381 0.181 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)NCC1([NH3+])CCCCC1 ZINC000418301796 387804052 /nfs/dbraw/zinc/80/40/52/387804052.db2.gz ZISHHGVGTASABY-JTQLQIEISA-N 2 0 242.367 0.637 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)NCC1([NH3+])CCCCC1 ZINC000418301990 387804821 /nfs/dbraw/zinc/80/48/21/387804821.db2.gz ZISHHGVGTASABY-SNVBAGLBSA-N 2 0 242.367 0.637 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCC[NH3+] ZINC000418301707 387805228 /nfs/dbraw/zinc/80/52/28/387805228.db2.gz ZCNIVUAHMCNZRP-SECBINFHSA-N 2 0 228.340 0.023 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442614257 387807329 /nfs/dbraw/zinc/80/73/29/387807329.db2.gz GNWZCTGPJZNORU-LBPRGKRZSA-N 2 0 241.379 0.916 20 0 BCADRP COC[C@]1(C[NH2+][C@H](C)CCCCO)CCC[NH2+]1 ZINC000643531966 387809776 /nfs/dbraw/zinc/80/97/76/387809776.db2.gz JYOBEALBNGQISI-CHWSQXEVSA-N 2 0 244.379 0.896 20 0 BCADRP COCCN1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422882208 387758436 /nfs/dbraw/zinc/75/84/36/387758436.db2.gz ANSOPOXLIDFQHJ-RWMBFGLXSA-N 2 0 241.379 0.424 20 0 BCADRP CC(C)[C@@H](C(=O)NCC(C)(C)[NH3+])[C@@H](C)[NH3+] ZINC000422887140 387759845 /nfs/dbraw/zinc/75/98/45/387759845.db2.gz YLTPJLSEGQLNQD-RKDXNWHRSA-N 2 0 215.341 0.459 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)NCC[NH2+]CC ZINC000418317972 387819855 /nfs/dbraw/zinc/81/98/55/387819855.db2.gz OKZNIBJRZSVZAX-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP COC[C@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C ZINC000564076716 387820098 /nfs/dbraw/zinc/82/00/98/387820098.db2.gz FLVBJOJTRKIGDK-GHMZBOCLSA-N 2 0 232.368 0.560 20 0 BCADRP C[C@@H](NC[C@H](O)C[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422973256 387820951 /nfs/dbraw/zinc/82/09/51/387820951.db2.gz BONYSBUMJWHZMV-WOPDTQHZSA-N 2 0 229.368 0.029 20 0 BCADRP C[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422971119 387821399 /nfs/dbraw/zinc/82/13/99/387821399.db2.gz HXHAOVWFPPWLGW-XQQFMLRXSA-N 2 0 241.379 0.173 20 0 BCADRP C[C@@H](NC[C@@H](O)C[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422973248 387821826 /nfs/dbraw/zinc/82/18/26/387821826.db2.gz BONYSBUMJWHZMV-IJLUTSLNSA-N 2 0 229.368 0.029 20 0 BCADRP CCC(CC)(CO)C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423005439 387828356 /nfs/dbraw/zinc/82/83/56/387828356.db2.gz SCMOZEDOLUQMCI-JTQLQIEISA-N 2 0 214.353 0.983 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040457814 387829825 /nfs/dbraw/zinc/82/98/25/387829825.db2.gz REYOFKPDVUAABY-MRVPVSSYSA-N 2 0 201.314 0.038 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000309598196 387831620 /nfs/dbraw/zinc/83/16/20/387831620.db2.gz JEOQSGNJTMZICW-NSHDSACASA-N 3 0 215.341 0.023 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000423008753 387831833 /nfs/dbraw/zinc/83/18/33/387831833.db2.gz UMZKTGMIJSGXFM-SRVKXCTJSA-N 2 0 244.404 0.962 20 0 BCADRP CNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000643479057 387833869 /nfs/dbraw/zinc/83/38/69/387833869.db2.gz YNOVORMYFJUSQL-MXWKQRLJSA-N 2 0 229.368 0.863 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@H]1CCN(C2CC2)C1=O ZINC000442751174 387833870 /nfs/dbraw/zinc/83/38/70/387833870.db2.gz BTVJGUFSYGFANK-FOGDFJRCSA-N 2 0 237.347 0.419 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@@H]1CCN(C2CC2)C1=O ZINC000442751176 387835855 /nfs/dbraw/zinc/83/58/55/387835855.db2.gz BTVJGUFSYGFANK-JFGNBEQYSA-N 2 0 237.347 0.419 20 0 BCADRP [NH3+]C1(c2noc(CC3C[NH2+]C3)n2)CCCC1 ZINC000442769931 387836580 /nfs/dbraw/zinc/83/65/80/387836580.db2.gz MXLORUNRFZHFLQ-UHFFFAOYSA-N 2 0 222.292 0.560 20 0 BCADRP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442777710 387837786 /nfs/dbraw/zinc/83/77/86/387837786.db2.gz JQWTVBFTJHGUDT-SDDRHHMPSA-N 2 0 241.379 0.911 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000424160554 387838951 /nfs/dbraw/zinc/83/89/51/387838951.db2.gz XDRASCIILMKKCD-INTQDDNPSA-N 2 0 246.314 0.183 20 0 BCADRP CC(C)N1CC[C@H]([N@@H+]2C[C@H](C[NH3+])C[C@H]2C)C1=O ZINC000442792524 387841568 /nfs/dbraw/zinc/84/15/68/387841568.db2.gz QHVSIVAYKQVARA-WOPDTQHZSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCN1CCOCC1 ZINC000442789396 387841650 /nfs/dbraw/zinc/84/16/50/387841650.db2.gz ZDJJHNMMPUEHIM-OLZOCXBDSA-N 2 0 241.379 0.378 20 0 BCADRP C[C@@H]1[C@H](NC2CC[NH2+]CC2)CCC[N@@H+]1C ZINC000423036417 387851339 /nfs/dbraw/zinc/85/13/39/387851339.db2.gz TZOWDYWYQQUECS-ZYHUDNBSSA-N 2 0 211.353 0.811 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000423036450 387851524 /nfs/dbraw/zinc/85/15/24/387851524.db2.gz UASDBGHJVKSRGG-MNOVXSKESA-N 2 0 212.337 0.737 20 0 BCADRP CC[C@@H](CO)[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423058340 387865219 /nfs/dbraw/zinc/86/52/19/387865219.db2.gz JKQNAEWUIIHKES-VWYCJHECSA-N 2 0 200.326 0.735 20 0 BCADRP CCCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433115559 387865352 /nfs/dbraw/zinc/86/53/52/387865352.db2.gz IYWAQSYMTJLLIM-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](C[NH3+])C(C)C ZINC000433123434 387867056 /nfs/dbraw/zinc/86/70/56/387867056.db2.gz UWYQBTQKVVOSGK-MNOVXSKESA-N 2 0 229.368 0.707 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](C[NH3+])C(C)C ZINC000433129558 387867225 /nfs/dbraw/zinc/86/72/25/387867225.db2.gz NZZUCIXVELFGTC-MNOVXSKESA-N 2 0 229.368 0.851 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000433123167 387867353 /nfs/dbraw/zinc/86/73/53/387867353.db2.gz UDFMVZDZOIXYEP-SRVKXCTJSA-N 2 0 241.379 0.803 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H](C[NH3+])C(C)C ZINC000433123983 387867392 /nfs/dbraw/zinc/86/73/92/387867392.db2.gz YRCAKFFCOSQKEY-JTQLQIEISA-N 2 0 229.368 0.851 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H](C[NH3+])C(C)C ZINC000433123433 387867739 /nfs/dbraw/zinc/86/77/39/387867739.db2.gz UWYQBTQKVVOSGK-GHMZBOCLSA-N 2 0 229.368 0.707 20 0 BCADRP C[C@H](N[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCC[NH2+]1 ZINC000643536237 387867847 /nfs/dbraw/zinc/86/78/47/387867847.db2.gz OZYMGANMVXZUOY-QJPTWQEYSA-N 2 0 223.364 0.859 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H](C[NH3+])C(C)C ZINC000433123984 387867876 /nfs/dbraw/zinc/86/78/76/387867876.db2.gz YRCAKFFCOSQKEY-SNVBAGLBSA-N 2 0 229.368 0.851 20 0 BCADRP CN(C(=O)CCC[NH+]1CCC([NH3+])CC1)C1CC1 ZINC000433133576 387869002 /nfs/dbraw/zinc/86/90/02/387869002.db2.gz FAJFHBWJUBJXKX-UHFFFAOYSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000423065809 387869711 /nfs/dbraw/zinc/86/97/11/387869711.db2.gz CMVNRLUWLAJDBX-OLZOCXBDSA-N 3 0 243.395 0.542 20 0 BCADRP C[C@H]([NH3+])CN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000442656083 387814407 /nfs/dbraw/zinc/81/44/07/387814407.db2.gz DLVYBSPEKWZWSI-RYUDHWBXSA-N 2 0 249.362 0.724 20 0 BCADRP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](C)N)CC1 ZINC000442659114 387815162 /nfs/dbraw/zinc/81/51/62/387815162.db2.gz KIFSBHQEBKEIOP-NWDGAFQWSA-N 2 0 243.395 0.358 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N@H+]1CC=CCC1 ZINC000392920127 387815321 /nfs/dbraw/zinc/81/53/21/387815321.db2.gz JGEMSQDTPUVQTA-GHMZBOCLSA-N 2 0 225.336 0.348 20 0 BCADRP CC[NH+](CC)CCO[C@@H]1CCN(C[C@H](C)[NH3+])C1 ZINC000442665488 387816693 /nfs/dbraw/zinc/81/66/93/387816693.db2.gz MNUBSBOCUCZYII-QWHCGFSZSA-N 2 0 243.395 0.766 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(C[C@H](C)[NH3+])C1 ZINC000442662978 387816814 /nfs/dbraw/zinc/81/68/14/387816814.db2.gz GIEXOFCXOVXBLZ-RYUDHWBXSA-N 2 0 213.369 0.997 20 0 BCADRP C[C@@H](C(=O)NCC[N@H+]1CC=CCC1)[C@H](C)[NH3+] ZINC000392920129 387817195 /nfs/dbraw/zinc/81/71/95/387817195.db2.gz JGEMSQDTPUVQTA-MNOVXSKESA-N 2 0 225.336 0.348 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000444645121 387892493 /nfs/dbraw/zinc/89/24/93/387892493.db2.gz XCPWKGNXRJEFDH-OLZOCXBDSA-N 2 0 244.379 0.657 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538324 387877584 /nfs/dbraw/zinc/87/75/84/387877584.db2.gz GWFKRSVDNAXBAV-VPOLOUISSA-N 2 0 215.316 0.403 20 0 BCADRP CCOC1CC(O)(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423086142 387880249 /nfs/dbraw/zinc/88/02/49/387880249.db2.gz LJYUMCJDKAOAAI-IGJPJIBNSA-N 2 0 242.363 0.633 20 0 BCADRP CC[C@@H]1CN(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])CCO1 ZINC000423086210 387880893 /nfs/dbraw/zinc/88/08/93/387880893.db2.gz LQHQNGCYGKSGKM-JHJVBQTASA-N 2 0 241.379 0.567 20 0 BCADRP CC[C@H]1CN(CC[NH2+]C2CC[NH2+]CC2)CCO1 ZINC000423090357 387882828 /nfs/dbraw/zinc/88/28/28/387882828.db2.gz VFXILWZYJLVSDT-ZDUSSCGKSA-N 2 0 241.379 0.439 20 0 BCADRP OCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000157939896 387885947 /nfs/dbraw/zinc/88/59/47/387885947.db2.gz RHWNFUPQQNRWHW-RYUDHWBXSA-N 2 0 212.337 0.975 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000423141410 387918169 /nfs/dbraw/zinc/91/81/69/387918169.db2.gz PSHHTJNEIMWMLV-RAIGVLPGSA-N 2 0 226.364 0.983 20 0 BCADRP CC[N@H+](CCNC(=O)C1CC[NH2+]CC1)C(C)C ZINC000236856431 387907495 /nfs/dbraw/zinc/90/74/95/387907495.db2.gz NOXNBHVMJKPQPE-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000423131529 387909184 /nfs/dbraw/zinc/90/91/84/387909184.db2.gz OBONBMMTLOZYBT-FVCCEPFGSA-N 2 0 242.363 0.633 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648712761 387909876 /nfs/dbraw/zinc/90/98/76/387909876.db2.gz PUKRSQLBOYSNJA-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000195221438 387910742 /nfs/dbraw/zinc/91/07/42/387910742.db2.gz KFRCXVRAYFDZIQ-WISYIIOYSA-N 2 0 237.347 0.182 20 0 BCADRP CC[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423133975 387910979 /nfs/dbraw/zinc/91/09/79/387910979.db2.gz QYROEHKQPCDSNT-GARJFASQSA-N 2 0 200.326 0.735 20 0 BCADRP CC[C@H](O)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423133974 387912809 /nfs/dbraw/zinc/91/28/09/387912809.db2.gz QYROEHKQPCDSNT-DCAQKATOSA-N 2 0 200.326 0.735 20 0 BCADRP [NH3+]CCCCCCC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195272096 387917326 /nfs/dbraw/zinc/91/73/26/387917326.db2.gz FUEJRRBYYPNXHU-TXEJJXNPSA-N 2 0 239.363 0.573 20 0 BCADRP CCN1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CC1=O ZINC000423154567 387932060 /nfs/dbraw/zinc/93/20/60/387932060.db2.gz OZFYUQCXFWBWSC-MCIGGMRASA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424217674 387935714 /nfs/dbraw/zinc/93/57/14/387935714.db2.gz NEIJSCRMZHOZQJ-WISYIIOYSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCCN1CCO ZINC000423144164 387920995 /nfs/dbraw/zinc/92/09/95/387920995.db2.gz GFFBCMLRKMNGDE-CHWSQXEVSA-N 2 0 243.395 0.550 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000178831629 387926111 /nfs/dbraw/zinc/92/61/11/387926111.db2.gz QYWSQJFQXSKTNP-YPMHNXCESA-N 2 0 247.342 0.724 20 0 BCADRP [NH3+]C1(C(=O)NC[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000237799552 387927755 /nfs/dbraw/zinc/92/77/55/387927755.db2.gz BEYLXSWJRZHFDU-SNVBAGLBSA-N 2 0 225.336 0.374 20 0 BCADRP [NH3+]C[C@H](NC(=O)CC1CC[NH2+]CC1)C1CC1 ZINC000237851995 387928682 /nfs/dbraw/zinc/92/86/82/387928682.db2.gz YASRRTPYKLSJFK-NSHDSACASA-N 2 0 225.336 0.230 20 0 BCADRP COC(=O)CCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424285672 387951902 /nfs/dbraw/zinc/95/19/02/387951902.db2.gz GEFQZIHLFZSBGJ-NXEZZACHSA-N 2 0 214.309 0.799 20 0 BCADRP C[C@@H]([NH3+])CN1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424295891 387956104 /nfs/dbraw/zinc/95/61/04/387956104.db2.gz RNXVGWZJMDFPCX-SNVBAGLBSA-N 3 0 249.362 0.470 20 0 BCADRP CO[C@H](C[NH3+])C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424237322 387941906 /nfs/dbraw/zinc/94/19/06/387941906.db2.gz JZXYHNUMBSAWAA-LLVKDONJSA-N 2 0 237.303 0.366 20 0 BCADRP C[NH2+]CCCN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000309621669 387942854 /nfs/dbraw/zinc/94/28/54/387942854.db2.gz HQDPFFSFVKHDSB-LBPRGKRZSA-N 2 0 211.353 0.671 20 0 BCADRP C[C@H](NCCCN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423176040 387961638 /nfs/dbraw/zinc/96/16/38/387961638.db2.gz BQEYFYDKYKEDSN-STQMWFEESA-N 2 0 240.395 0.012 20 0 BCADRP CC[C@H](C)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424303344 387961809 /nfs/dbraw/zinc/96/18/09/387961809.db2.gz ZQDBSXSPPUDGDZ-ZMLRMANQSA-N 2 0 222.336 0.945 20 0 BCADRP CC[C@H](NC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423178459 387964236 /nfs/dbraw/zinc/96/42/36/387964236.db2.gz GEHYLNDTOPHDOV-RYUDHWBXSA-N 2 0 211.353 0.859 20 0 BCADRP C[NH2+]CCCN1CC[NH+](C(C)(C)COC)CC1 ZINC000424334708 387979100 /nfs/dbraw/zinc/97/91/00/387979100.db2.gz NZFQDPNAZLEHCR-UHFFFAOYSA-N 2 0 243.395 0.639 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000424336863 387979797 /nfs/dbraw/zinc/97/97/97/387979797.db2.gz RGNNLCOQZHLFNR-IJLUTSLNSA-N 2 0 211.353 0.846 20 0 BCADRP CC[N@H+]1C[C@H](N[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000423194368 387980524 /nfs/dbraw/zinc/98/05/24/387980524.db2.gz RIFYWLYSTIMCIR-SRVKXCTJSA-N 2 0 211.353 0.668 20 0 BCADRP C1CC1[C@H](N[C@@H]1CCC[NH2+]C1)[C@H]1C[NH2+]CCO1 ZINC000423197122 387981614 /nfs/dbraw/zinc/98/16/14/387981614.db2.gz XZGRVBPTJHVQJQ-UPJWGTAASA-N 2 0 239.363 0.095 20 0 BCADRP COCCOCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424331831 387977635 /nfs/dbraw/zinc/97/76/35/387977635.db2.gz JZEODXITZDMIQV-GHMZBOCLSA-N 2 0 216.325 0.509 20 0 BCADRP FC1(F)CNCC[C@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000424368047 387991527 /nfs/dbraw/zinc/99/15/27/387991527.db2.gz OQXGRXIIWFFITG-NSHDSACASA-N 2 0 247.333 0.820 20 0 BCADRP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424366119 387992054 /nfs/dbraw/zinc/99/20/54/387992054.db2.gz IJGZDPXJZHHYRJ-GMTAPVOTSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCOCC[NH3+])C1 ZINC000086435353 135084671 /nfs/dbraw/zinc/08/46/71/135084671.db2.gz QNOJPOGHVPDAFA-PHIMTYICSA-N 2 0 200.326 0.940 20 0 BCADRP C1CC1[C@H](N[C@@H]1CCC[NH2+]C1)[C@@H]1C[NH2+]CCO1 ZINC000423197119 387982577 /nfs/dbraw/zinc/98/25/77/387982577.db2.gz XZGRVBPTJHVQJQ-AGIUHOORSA-N 2 0 239.363 0.095 20 0 BCADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)C1(C)CC1 ZINC000423199501 387986358 /nfs/dbraw/zinc/98/63/58/387986358.db2.gz BRLDPRKZZAVGDS-NSHDSACASA-N 2 0 211.353 0.670 20 0 BCADRP C[C@H]1CC[N@H+](CCN2CCCC2=O)C[C@H]1C[NH3+] ZINC000420405876 387999037 /nfs/dbraw/zinc/99/90/37/387999037.db2.gz NBISYCUBACMDNE-NWDGAFQWSA-N 2 0 239.363 0.526 20 0 BCADRP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000424382738 388000739 /nfs/dbraw/zinc/00/07/39/388000739.db2.gz SLGODUMFAFGHGQ-QJPTWQEYSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)[C@@H]1CCC[NH2+]1 ZINC000424382318 388000890 /nfs/dbraw/zinc/00/08/90/388000890.db2.gz SADYGJSRXQFUQZ-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424387302 388001516 /nfs/dbraw/zinc/00/15/16/388001516.db2.gz YMXWDIVSRJJBCK-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+]CCN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423222207 388002130 /nfs/dbraw/zinc/00/21/30/388002130.db2.gz AFMOLAURXMYNRC-GMTAPVOTSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@@H](C[NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889472 388005944 /nfs/dbraw/zinc/00/59/44/388005944.db2.gz KSVJQKWBBGINKI-VIFPVBQESA-N 2 0 245.286 0.801 20 0 BCADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1CC[NH2+]1 ZINC000645889545 388006145 /nfs/dbraw/zinc/00/61/45/388006145.db2.gz NOKSCCWHXKQOBC-LLVKDONJSA-N 2 0 243.270 0.568 20 0 BCADRP C[C@H](NCCN1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000423211471 387996070 /nfs/dbraw/zinc/99/60/70/387996070.db2.gz YHLWGOWYVBIPKV-STQMWFEESA-N 3 0 240.395 0.012 20 0 BCADRP C[C@@]1(C[N@@H+]2CCC[C@H](n3ccnn3)C2)CC[NH2+]C1 ZINC000424371887 387996299 /nfs/dbraw/zinc/99/62/99/387996299.db2.gz VWWGONXHUCBQST-QWHCGFSZSA-N 2 0 249.362 0.915 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000246253138 388024226 /nfs/dbraw/zinc/02/42/26/388024226.db2.gz IHZFYMBRQOFPAR-AXFHLTTASA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H](NC[C@@H]1CCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000423241693 388024742 /nfs/dbraw/zinc/02/47/42/388024742.db2.gz VFTRVJCMGOJYQE-GRYCIOLGSA-N 2 0 211.353 0.859 20 0 BCADRP C[NH2+]CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423242924 388026238 /nfs/dbraw/zinc/02/62/38/388026238.db2.gz JQDKHFOXHBEUNR-IJLUTSLNSA-N 2 0 211.353 0.668 20 0 BCADRP CC[C@H]([NH2+]CCN(C)CCOC)[C@@H]1CCOC1 ZINC000159400572 388012044 /nfs/dbraw/zinc/01/20/44/388012044.db2.gz PCABHIGOANBRCI-OLZOCXBDSA-N 2 0 244.379 0.969 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@H]1CCC[NH2+]1 ZINC000423229378 388015410 /nfs/dbraw/zinc/01/54/10/388015410.db2.gz BASYYRQXCQEJNA-WZRBSPASSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000446374119 388017437 /nfs/dbraw/zinc/01/74/37/388017437.db2.gz FKNVQCUKBXYISZ-DCAQKATOSA-N 2 0 237.347 0.337 20 0 BCADRP C(N[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]1 ZINC000423234640 388018713 /nfs/dbraw/zinc/01/87/13/388018713.db2.gz MFNJDYAXWDZQRA-XQQFMLRXSA-N 2 0 239.363 0.095 20 0 BCADRP CC[NH2+]CCN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423236372 388021321 /nfs/dbraw/zinc/02/13/21/388021321.db2.gz CBKAAUYOHOZEAO-WDEREUQCSA-N 2 0 211.353 0.811 20 0 BCADRP C[NH2+]C[C@H](C)CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423256203 388036691 /nfs/dbraw/zinc/03/66/91/388036691.db2.gz BMMSIJQCHRXKFI-UHTWSYAYSA-N 2 0 241.379 0.199 20 0 BCADRP COCC[N@@H+]1CC[C@@H](N[C@H](C[NH3+])CC(C)C)C1 ZINC000423257921 388038576 /nfs/dbraw/zinc/03/85/76/388038576.db2.gz ASNHBGLNSFKRTQ-OLZOCXBDSA-N 2 0 243.395 0.670 20 0 BCADRP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000423244856 388028083 /nfs/dbraw/zinc/02/80/83/388028083.db2.gz XWMOPMZQAUYLGW-GRYCIOLGSA-N 2 0 223.364 0.953 20 0 BCADRP CC[NH2+]CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000423248497 388031224 /nfs/dbraw/zinc/03/12/24/388031224.db2.gz QTXPDDVKCWKNND-GRYCIOLGSA-N 2 0 213.369 0.914 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423278844 388060031 /nfs/dbraw/zinc/06/00/31/388060031.db2.gz RRQBHCOQUPXPJF-SRVKXCTJSA-N 3 0 213.369 0.949 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423278168 388060235 /nfs/dbraw/zinc/06/02/35/388060235.db2.gz QRDJZFOQJFSKAE-AGIUHOORSA-N 2 0 225.380 0.964 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](O)C2)[C@H]2CCC[C@H]21 ZINC000453376906 388063715 /nfs/dbraw/zinc/06/37/15/388063715.db2.gz VFTCRMUTVJAGGO-RXGFPQBGSA-N 2 0 224.348 0.972 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])CC(F)F ZINC000336657374 388068745 /nfs/dbraw/zinc/06/87/45/388068745.db2.gz LVRQCRCGKXJJCR-SFYZADRCSA-N 2 0 237.294 0.425 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000447507660 388074444 /nfs/dbraw/zinc/07/44/44/388074444.db2.gz ILSLYOSNLJWUTC-SRVKXCTJSA-N 2 0 241.379 0.829 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000447518314 388076245 /nfs/dbraw/zinc/07/62/45/388076245.db2.gz NOPSEHKJKZRKSY-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H](Cn1cccn1)[NH2+]CCOCC[NH+](C)C ZINC000447596103 388080955 /nfs/dbraw/zinc/08/09/55/388080955.db2.gz PONMSYLMRRGYGP-LBPRGKRZSA-N 2 0 240.351 0.439 20 0 BCADRP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CCCOC1 ZINC000447598158 388081758 /nfs/dbraw/zinc/08/17/58/388081758.db2.gz UOKLKBSLBKFDRW-STQMWFEESA-N 2 0 244.379 0.969 20 0 BCADRP C[NH2+]C[C@H]1CCCN(Cc2cncn2C)C1 ZINC000085170750 388084781 /nfs/dbraw/zinc/08/47/81/388084781.db2.gz FYCURJQDJAFMDK-LLVKDONJSA-N 2 0 222.336 0.852 20 0 BCADRP CC(C)(C[NH3+])NC(=O)CC1CC[NH2+]CC1 ZINC000151895510 388093552 /nfs/dbraw/zinc/09/35/52/388093552.db2.gz SNAILGHPBYWFED-UHFFFAOYSA-N 2 0 213.325 0.230 20 0 BCADRP COC(=O)C[N@H+](CC1CC[NH2+]CC1)C(C)C ZINC000086703488 388106553 /nfs/dbraw/zinc/10/65/53/388106553.db2.gz ATPHRUWSMFPVNN-UHFFFAOYSA-N 2 0 228.336 0.869 20 0 BCADRP COCC[N@@H+]1CC[C@H](NC[C@@H]([NH3+])C(C)C)C1 ZINC000423271320 388049614 /nfs/dbraw/zinc/04/96/14/388049614.db2.gz IXZQUKPQMSZSPU-NWDGAFQWSA-N 2 0 229.368 0.280 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]([NH3+])CCSC ZINC000083377761 388050362 /nfs/dbraw/zinc/05/03/62/388050362.db2.gz PYKVKJVBHBXXSD-SNVBAGLBSA-N 2 0 247.408 0.525 20 0 BCADRP [NH3+][C@H](CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC000449379169 388187610 /nfs/dbraw/zinc/18/76/10/388187610.db2.gz ZSIFTGRLHWIDGW-QJPTWQEYSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000646185811 388161020 /nfs/dbraw/zinc/16/10/20/388161020.db2.gz KJLRIYRAYGYGDL-AXFHLTTASA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CC(C)(C)[NH3+] ZINC000646222569 388167575 /nfs/dbraw/zinc/16/75/75/388167575.db2.gz JGZAJBDQCINXRV-MWLCHTKSSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CC(C)(C)[NH3+] ZINC000646222558 388167602 /nfs/dbraw/zinc/16/76/02/388167602.db2.gz JGZAJBDQCINXRV-GXSJLCMTSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000449328429 388173059 /nfs/dbraw/zinc/17/30/59/388173059.db2.gz JHYQNOYDIRNEAD-SKDRFNHKSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000449328427 388173188 /nfs/dbraw/zinc/17/31/88/388173188.db2.gz JHYQNOYDIRNEAD-CABZTGNLSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H]([NH3+])CC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000646302477 388179422 /nfs/dbraw/zinc/17/94/22/388179422.db2.gz YUGSPEWZEPNORK-SECBINFHSA-N 2 0 237.303 0.700 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000488503327 388183018 /nfs/dbraw/zinc/18/30/18/388183018.db2.gz UKIRAIUTIDFJOQ-VWYCJHECSA-N 2 0 227.352 0.250 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)CC[NH3+] ZINC000646010910 388123664 /nfs/dbraw/zinc/12/36/64/388123664.db2.gz YNMDYWJNGIZSRN-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000646012649 388124455 /nfs/dbraw/zinc/12/44/55/388124455.db2.gz UWUZFCYNASVJDT-QJPTWQEYSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000646050998 388132293 /nfs/dbraw/zinc/13/22/93/388132293.db2.gz WTYZEQYPCGGFMU-SNVBAGLBSA-N 2 0 227.352 0.490 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)CC1([NH3+])CCC1 ZINC000646050086 388133181 /nfs/dbraw/zinc/13/31/81/388133181.db2.gz CCYSRCTZMGBMEE-UHFFFAOYSA-N 2 0 227.352 0.762 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000449060522 388137746 /nfs/dbraw/zinc/13/77/46/388137746.db2.gz STORYDFXJCOTNU-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000449064203 388138364 /nfs/dbraw/zinc/13/83/64/388138364.db2.gz SZBGHYBTKFPNSM-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000449078812 388139865 /nfs/dbraw/zinc/13/98/65/388139865.db2.gz YTYOOZCJEMZDLV-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449099723 388141827 /nfs/dbraw/zinc/14/18/27/388141827.db2.gz OWYDPFGCJNBXCG-DCAQKATOSA-N 2 0 227.352 0.748 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000449098791 388142055 /nfs/dbraw/zinc/14/20/55/388142055.db2.gz KYELVDVFYVSVNJ-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000449102787 388142924 /nfs/dbraw/zinc/14/29/24/388142924.db2.gz LPYAFIAYHLDFQY-QWRGUYRKSA-N 2 0 239.363 0.727 20 0 BCADRP CCOCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103328 388143319 /nfs/dbraw/zinc/14/33/19/388143319.db2.gz CKNKENVIFAQWAR-UHFFFAOYSA-N 2 0 242.363 0.820 20 0 BCADRP CC(C)(C[NH3+])NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449108395 388144039 /nfs/dbraw/zinc/14/40/39/388144039.db2.gz UPXKPTZHRZTAHS-NXEZZACHSA-N 2 0 227.352 0.748 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC(C)(C)C[NH3+] ZINC000449106448 388144112 /nfs/dbraw/zinc/14/41/12/388144112.db2.gz MDJDDOSHDMQIDT-QMMMGPOBSA-N 2 0 201.314 0.228 20 0 BCADRP C[NH+]1CCC2(CC1)C[N@@H+]([C@@H]1CCOC1)CCO2 ZINC000646106314 388144162 /nfs/dbraw/zinc/14/41/62/388144162.db2.gz UFLMSGMVVJRFHD-GFCCVEGCSA-N 2 0 240.347 0.572 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC[N@H+](CC)C1CC1 ZINC000449115270 388144409 /nfs/dbraw/zinc/14/44/09/388144409.db2.gz LBZAGSWCFVZMNP-LLVKDONJSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000449116494 388144527 /nfs/dbraw/zinc/14/45/27/388144527.db2.gz PVXREZDIQWTMFO-GWCFXTLKSA-N 2 0 249.358 0.967 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000449112102 388144671 /nfs/dbraw/zinc/14/46/71/388144671.db2.gz BJKNVZULKXBDET-PELKAZGASA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C1([NH3+])CCC1)C1CCCCC1 ZINC000449117669 388145118 /nfs/dbraw/zinc/14/51/18/388145118.db2.gz PJMKFTCKJDGYPI-LLVKDONJSA-N 2 0 239.363 0.892 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000449118536 388145270 /nfs/dbraw/zinc/14/52/70/388145270.db2.gz SNYWYTCHVYZCBV-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000449120348 388145322 /nfs/dbraw/zinc/14/53/22/388145322.db2.gz CQYGVEPVYNJABO-SCVCMEIPSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449120975 388145472 /nfs/dbraw/zinc/14/54/72/388145472.db2.gz GGVJLNZVUITRAU-SCZZXKLOSA-N 2 0 213.325 0.226 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](C)[NH2+]C1CC1 ZINC000449142490 388147897 /nfs/dbraw/zinc/14/78/97/388147897.db2.gz TUMGFSTZTSFNNP-CMPLNLGQSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449142493 388147942 /nfs/dbraw/zinc/14/79/42/388147942.db2.gz TUMGFSTZTSFNNP-ZYHUDNBSSA-N 2 0 241.379 0.959 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000449144660 388148307 /nfs/dbraw/zinc/14/83/07/388148307.db2.gz JKGXHGQVEGMYFK-WDEREUQCSA-N 2 0 229.368 0.831 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000195232485 388149242 /nfs/dbraw/zinc/14/92/42/388149242.db2.gz WXMCMVZIPZGZTP-SMDDNHRTSA-N 2 0 249.358 0.832 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000449377376 388187285 /nfs/dbraw/zinc/18/72/85/388187285.db2.gz SOTITLROCJZLTA-MNOVXSKESA-N 2 0 241.379 0.864 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC[NH+](C)C ZINC000449184786 388154888 /nfs/dbraw/zinc/15/48/88/388154888.db2.gz IHUVHBDOBOONEJ-VIFPVBQESA-N 2 0 201.314 0.052 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449655806 388248486 /nfs/dbraw/zinc/24/84/86/388248486.db2.gz HVCKPRRONKQXDI-JGVFFNPUSA-N 2 0 235.278 0.227 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449653584 388248490 /nfs/dbraw/zinc/24/84/90/388248490.db2.gz CKFWCSWJHWDHIX-YIZRAAEISA-N 2 0 249.305 0.473 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449655807 388248628 /nfs/dbraw/zinc/24/86/28/388248628.db2.gz HVCKPRRONKQXDI-SFYZADRCSA-N 2 0 235.278 0.227 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449661070 388249781 /nfs/dbraw/zinc/24/97/81/388249781.db2.gz ZAMNIGUKKGZCCA-PSASIEDQSA-N 2 0 249.305 0.617 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449661771 388249815 /nfs/dbraw/zinc/24/98/15/388249815.db2.gz DHOMPDGDQWLGNW-SECBINFHSA-N 2 0 249.305 0.440 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CCC[NH+](C)CC2)CC[N@@H+]1C ZINC000648714031 388250874 /nfs/dbraw/zinc/25/08/74/388250874.db2.gz OCUCAXJVHRSLGD-VXGBXAGGSA-N 2 0 239.363 0.491 20 0 BCADRP CCN1C[C@H](C)[C@H]([NH2+]CC[C@](C)(O)COC)C1 ZINC000449386337 388190883 /nfs/dbraw/zinc/19/08/83/388190883.db2.gz TWAYBHPDYMGCAB-XQQFMLRXSA-N 2 0 244.379 0.704 20 0 BCADRP CCOC[C@H](C)[NH2+]C[C@H]1CCCN1CCCO ZINC000449387895 388191180 /nfs/dbraw/zinc/19/11/80/388191180.db2.gz NKDBSGFAYSBFLU-QWHCGFSZSA-N 2 0 244.379 0.848 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000449505908 388220693 /nfs/dbraw/zinc/22/06/93/388220693.db2.gz ZOQHRUFGIQLVQO-KXUCPTDWSA-N 2 0 225.336 0.336 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000646320388 388221118 /nfs/dbraw/zinc/22/11/18/388221118.db2.gz FQTRTGYIUAPKSL-ZYHUDNBSSA-N 2 0 225.336 0.326 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000646320688 388221612 /nfs/dbraw/zinc/22/16/12/388221612.db2.gz YOVRHEGKDGQQHY-GXFFZTMASA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449529908 388225142 /nfs/dbraw/zinc/22/51/42/388225142.db2.gz ATIDGTHSHAOJSO-KXNHARMFSA-N 2 0 239.363 0.842 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449529907 388225444 /nfs/dbraw/zinc/22/54/44/388225444.db2.gz ATIDGTHSHAOJSO-KKOKHZNYSA-N 2 0 239.363 0.842 20 0 BCADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000336662752 388261067 /nfs/dbraw/zinc/26/10/67/388261067.db2.gz KPRUOHDWLKEKCX-GXSJLCMTSA-N 2 0 222.336 0.982 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000449546096 388228666 /nfs/dbraw/zinc/22/86/66/388228666.db2.gz UQQQDWMZIZDXKC-ZIQFBCGOSA-N 2 0 239.363 0.345 20 0 BCADRP COCCN(Cc1cncn1C)[C@@H]1CCOC1 ZINC000490081615 388234794 /nfs/dbraw/zinc/23/47/94/388234794.db2.gz BOZVLKLEFSZWFX-LLVKDONJSA-N 2 0 239.319 0.657 20 0 BCADRP [NH3+]CCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000518374202 256568964 /nfs/dbraw/zinc/56/89/64/256568964.db2.gz ZLJDVGIDFBSNPQ-UHFFFAOYSA-N 2 0 218.260 0.697 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449569497 388235152 /nfs/dbraw/zinc/23/51/52/388235152.db2.gz HMBMDVQETPBJRC-KXNHARMFSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000449591847 388239094 /nfs/dbraw/zinc/23/90/94/388239094.db2.gz NFJSTVZFIIEXPD-HTFCKZLJSA-N 2 0 239.363 0.759 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000646331772 388239475 /nfs/dbraw/zinc/23/94/75/388239475.db2.gz VHKJQHHYOPCZPS-OUAUKWLOSA-N 2 0 237.347 0.337 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449599345 388239987 /nfs/dbraw/zinc/23/99/87/388239987.db2.gz GJDFLTWLFAIZTA-CIUDSAMLSA-N 2 0 201.314 0.356 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000449608296 388241698 /nfs/dbraw/zinc/24/16/98/388241698.db2.gz GLWZMWVOLSEOOU-CKYFFXLPSA-N 2 0 225.336 0.230 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH3+])CC ZINC000449608568 388241911 /nfs/dbraw/zinc/24/19/11/388241911.db2.gz IKABFTBXTUWDAO-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000449608913 388242122 /nfs/dbraw/zinc/24/21/22/388242122.db2.gz LJAVFVBJGHHGSM-UWVGGRQHSA-N 2 0 215.341 0.426 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H]([NH3+])CC ZINC000449608955 388242727 /nfs/dbraw/zinc/24/27/27/388242727.db2.gz LRZONCROTDVCLH-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449645161 388247673 /nfs/dbraw/zinc/24/76/73/388247673.db2.gz LGJPCIGXFIDRPZ-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1CC[C@H](C[NH+]2CCC(O)(C[NH3+])CC2)O1 ZINC000397060933 388284348 /nfs/dbraw/zinc/28/43/48/388284348.db2.gz PTZOEYHMWBUPKB-GHMZBOCLSA-N 2 0 228.336 0.340 20 0 BCADRP COC1(C[NH2+]C[C@@H](C)C[NH+](C)C)CCOCC1 ZINC000491596732 388304664 /nfs/dbraw/zinc/30/46/64/388304664.db2.gz NJUCNDFOHVVICL-GFCCVEGCSA-N 2 0 244.379 0.969 20 0 BCADRP CC[N@H+](CCNC(=O)/C=C\C[NH+](C)C)C1CC1 ZINC000491854573 388324932 /nfs/dbraw/zinc/32/49/32/388324932.db2.gz YHDLYSWZNXAJSL-WAYWQWQTSA-N 2 0 239.363 0.705 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)/C=C\C[NH+](C)C ZINC000491881093 388326011 /nfs/dbraw/zinc/32/60/11/388326011.db2.gz GCQIPPNYIBUJQC-KRZKBDHCSA-N 2 0 241.379 0.951 20 0 BCADRP CC[NH+](CC)CCCNC(=O)/C=C\C[NH+](C)C ZINC000491892827 388326881 /nfs/dbraw/zinc/32/68/81/388326881.db2.gz MOBDKDVKUMTBQX-CLFYSBASSA-N 2 0 241.379 0.952 20 0 BCADRP CN(C(=O)/C=C\C[NH+](C)C)[C@@H]1CCC[N@H+](C)C1 ZINC000491901826 388327025 /nfs/dbraw/zinc/32/70/25/388327025.db2.gz CHUZCESSFKZCQX-XYLWRLHESA-N 2 0 239.363 0.657 20 0 BCADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000094460011 256638796 /nfs/dbraw/zinc/63/87/96/256638796.db2.gz QRVWWBVCEYQBPX-QJPTWQEYSA-N 2 0 237.347 0.291 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)/C=C/C[NH+](C)C ZINC000491996790 388331066 /nfs/dbraw/zinc/33/10/66/388331066.db2.gz YNXCXEDQWVIMOI-VQHVLOKHSA-N 2 0 241.379 0.904 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953519 388269105 /nfs/dbraw/zinc/26/91/05/388269105.db2.gz XUCCSJLGMZCWON-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+]CCCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953359 388269766 /nfs/dbraw/zinc/26/97/66/388269766.db2.gz QRWNDGBHGDNRBI-NSHDSACASA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646338186 388270518 /nfs/dbraw/zinc/27/05/18/388270518.db2.gz DNLFOFHLCAADCX-KKOKHZNYSA-N 2 0 237.347 0.052 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000646368012 388346732 /nfs/dbraw/zinc/34/67/32/388346732.db2.gz LVKPVJNAZMFFQW-WHOHXGKFSA-N 2 0 237.347 0.182 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH3+])C1 ZINC000572999242 388404431 /nfs/dbraw/zinc/40/44/31/388404431.db2.gz MYIJYZOUDBVVKL-SECBINFHSA-N 2 0 213.325 0.134 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000646369508 388346991 /nfs/dbraw/zinc/34/69/91/388346991.db2.gz NBFBJNGIFJNKNP-OUAUKWLOSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646373756 388347203 /nfs/dbraw/zinc/34/72/03/388347203.db2.gz ZUQGNOOTLZFFIB-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000516563647 388347919 /nfs/dbraw/zinc/34/79/19/388347919.db2.gz NPLVFRARNCNMJY-VIFPVBQESA-N 2 0 205.261 0.805 20 0 BCADRP COCC[N@H+](C)CCC[NH2+]CC1(O)CCC1 ZINC000516562882 388348252 /nfs/dbraw/zinc/34/82/52/388348252.db2.gz DHVLTZAKPJOIDR-UHFFFAOYSA-N 2 0 230.352 0.459 20 0 BCADRP C[NH+](C)CCCNC(=O)CC1(C[NH3+])CC1 ZINC000646392256 388349246 /nfs/dbraw/zinc/34/92/46/388349246.db2.gz ZIRVQVRVENFBEO-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP O=C(NCCC[C@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000516569394 388349363 /nfs/dbraw/zinc/34/93/63/388349363.db2.gz KIRKMBMPMVCVTN-GFCCVEGCSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]1CN(C(=O)C2([NH3+])CCCCC2)C[C@H](C)[NH2+]1 ZINC000131861522 388353026 /nfs/dbraw/zinc/35/30/26/388353026.db2.gz JBQFACQAFQCAER-PHIMTYICSA-N 2 0 239.363 0.857 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)C1CC1 ZINC000646424370 388355718 /nfs/dbraw/zinc/35/57/18/388355718.db2.gz XVFZNPVTZRDBRH-QWRGUYRKSA-N 2 0 239.363 0.441 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC(n2ccnc2)C1 ZINC000524401159 388357811 /nfs/dbraw/zinc/35/78/11/388357811.db2.gz UFOZZOFCUGLWDQ-UHFFFAOYSA-N 2 0 236.319 0.608 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)COCC[NH3+] ZINC000646453831 388360817 /nfs/dbraw/zinc/36/08/17/388360817.db2.gz ILHWJZMVXHSJER-NSHDSACASA-N 2 0 245.367 0.198 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000646484487 388364908 /nfs/dbraw/zinc/36/49/08/388364908.db2.gz QBHXXNOCJMNTEQ-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000646657786 388405280 /nfs/dbraw/zinc/40/52/80/388405280.db2.gz XRLVBDPFAIRKDL-WDEREUQCSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]CCCC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000309589470 388368024 /nfs/dbraw/zinc/36/80/24/388368024.db2.gz YGUKFYARILTSNY-JTQLQIEISA-N 2 0 213.325 0.455 20 0 BCADRP C[C@H](C[NH3+])NCc1cccc2c1OCO2 ZINC000235455694 388369315 /nfs/dbraw/zinc/36/93/15/388369315.db2.gz DWMITKWGLILYKN-MRVPVSSYSA-N 2 0 208.261 0.852 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000165565120 388405417 /nfs/dbraw/zinc/40/54/17/388405417.db2.gz SSVSZBYMZKXFFF-DTWKUNHWSA-N 2 0 201.314 0.038 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000524652615 388370261 /nfs/dbraw/zinc/37/02/61/388370261.db2.gz VUCZCEOZUWWSCK-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[NH2+]CC1 ZINC000572719562 388370302 /nfs/dbraw/zinc/37/03/02/388370302.db2.gz BHPIVBXTMBTMJE-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000524652617 388370332 /nfs/dbraw/zinc/37/03/32/388370332.db2.gz VUCZCEOZUWWSCK-WOPDTQHZSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000572759909 388373348 /nfs/dbraw/zinc/37/33/48/388373348.db2.gz XTVGTCPMBYGNNY-UNXYVOJBSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000572759910 388373667 /nfs/dbraw/zinc/37/36/67/388373667.db2.gz XTVGTCPMBYGNNY-VOMCLLRMSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000646533661 388377287 /nfs/dbraw/zinc/37/72/87/388377287.db2.gz BXHAJPZPIAGYBV-SNVBAGLBSA-N 2 0 227.352 0.524 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000646533956 388377301 /nfs/dbraw/zinc/37/73/01/388377301.db2.gz YUESNQKSOKMLKS-SNVBAGLBSA-N 2 0 213.325 0.006 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C2([NH3+])CCC2)C1 ZINC000646533961 388377432 /nfs/dbraw/zinc/37/74/32/388377432.db2.gz ZDFGMQFOYRWBCF-JTQLQIEISA-N 2 0 225.336 0.278 20 0 BCADRP FC(F)COCCN1CCC[NH2+]CC1 ZINC000236127474 388378414 /nfs/dbraw/zinc/37/84/14/388378414.db2.gz WOPFUJOPAPQHLD-UHFFFAOYSA-N 2 0 208.252 0.563 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000519650124 256655052 /nfs/dbraw/zinc/65/50/52/256655052.db2.gz YKAQSJXMBRRTOJ-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]([NH3+])CC(F)F ZINC000519654959 256655430 /nfs/dbraw/zinc/65/54/30/256655430.db2.gz WSNUDMAQYMTKRH-BQBZGAKWSA-N 2 0 235.278 0.226 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000572869598 388382747 /nfs/dbraw/zinc/38/27/47/388382747.db2.gz DLSCMVDFETWILC-NSHDSACASA-N 2 0 225.336 0.313 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000572869432 388383042 /nfs/dbraw/zinc/38/30/42/388383042.db2.gz ZVEYMCDYUNQSQP-IJLUTSLNSA-N 2 0 239.363 0.490 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H](C)C[NH2+]C)C(C)C ZINC000236860208 388384762 /nfs/dbraw/zinc/38/47/62/388384762.db2.gz FQAZLSBSZDXSES-NSHDSACASA-N 2 0 229.368 0.688 20 0 BCADRP CC[N@H+](CCNC(=O)C(C)(C)C[NH3+])C(C)C ZINC000236855833 388385143 /nfs/dbraw/zinc/38/51/43/388385143.db2.gz PKHVMDWRGNAEPH-UHFFFAOYSA-N 2 0 229.368 0.818 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000237045172 388388853 /nfs/dbraw/zinc/38/88/53/388388853.db2.gz WQGWNBCYSBWFBU-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP CO[C@@H](C[NH3+])CC(=O)Nc1cccc(C[NH3+])c1 ZINC000646578722 388389121 /nfs/dbraw/zinc/38/91/21/388389121.db2.gz BYLHUNWQRAKJOX-LLVKDONJSA-N 2 0 237.303 0.448 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CC(C)(C)[NH3+] ZINC000193590806 388390589 /nfs/dbraw/zinc/39/05/89/388390589.db2.gz MPZMXVFUSCMFHL-IUCAKERBSA-N 2 0 213.325 0.371 20 0 BCADRP C[NH2+]CC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000237235578 388391649 /nfs/dbraw/zinc/39/16/49/388391649.db2.gz VJWREKLGQPOVKD-LBPRGKRZSA-N 2 0 249.358 0.843 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000646594462 388391710 /nfs/dbraw/zinc/39/17/10/388391710.db2.gz JWEFAZPZMAACBI-GHMZBOCLSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000237315494 388392737 /nfs/dbraw/zinc/39/27/37/388392737.db2.gz VTBDKBMVOKAFRD-KXUCPTDWSA-N 2 0 213.325 0.323 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)C1(C[NH3+])CCCC1 ZINC000237275682 388392836 /nfs/dbraw/zinc/39/28/36/388392836.db2.gz GOZRYWPSPCAKIO-SNVBAGLBSA-N 2 0 227.352 0.477 20 0 BCADRP C[C@@H](CNC(=O)CC[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000237401093 388393761 /nfs/dbraw/zinc/39/37/61/388393761.db2.gz XGTARNGSBHWAEV-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000646609127 388394124 /nfs/dbraw/zinc/39/41/24/388394124.db2.gz PYWDQVUTBLBXAT-GXSJLCMTSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000237528855 388395476 /nfs/dbraw/zinc/39/54/76/388395476.db2.gz RVEFRBQVHMUWCM-TUAOUCFPSA-N 2 0 239.363 0.537 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CCC[NH2+]C2)CCCC1 ZINC000237805187 388397928 /nfs/dbraw/zinc/39/79/28/388397928.db2.gz BCFVVCOMCPKQFL-VIFPVBQESA-N 2 0 211.309 0.126 20 0 BCADRP CN(C(=O)C[C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CC[NH2+]C1 ZINC000520547800 256675092 /nfs/dbraw/zinc/67/50/92/256675092.db2.gz LBALNSGCCIYFSN-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000646644572 388400804 /nfs/dbraw/zinc/40/08/04/388400804.db2.gz FMKJWMPUZSYGMU-WOPDTQHZSA-N 2 0 239.363 0.490 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000646646968 388401558 /nfs/dbraw/zinc/40/15/58/388401558.db2.gz ASQPWVSFBDRRCZ-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000572984550 388402034 /nfs/dbraw/zinc/40/20/34/388402034.db2.gz HIAQVMNECUREGN-JQWIXIFHSA-N 2 0 239.363 0.442 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](O)C2CCOCC2)C1 ZINC000520609889 256676815 /nfs/dbraw/zinc/67/68/15/256676815.db2.gz NJGOAEKZIOPQOX-AGIUHOORSA-N 2 0 242.363 0.633 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000378667220 388480252 /nfs/dbraw/zinc/48/02/52/388480252.db2.gz KCNJTGLDUWJBML-UHFFFAOYSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000646730869 388441350 /nfs/dbraw/zinc/44/13/50/388441350.db2.gz GOJBNMSEYZUHFH-WDEREUQCSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000646734064 388442547 /nfs/dbraw/zinc/44/25/47/388442547.db2.gz DOFNNXAOMSGGFU-LBPRGKRZSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000194887601 388454720 /nfs/dbraw/zinc/45/47/20/388454720.db2.gz MEHFBEFVWYYYKP-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP COC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309551807 388456786 /nfs/dbraw/zinc/45/67/86/388456786.db2.gz GELJUDBGEAYUOL-GARJFASQSA-N 2 0 226.320 0.479 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]([NH3+])CC(F)F ZINC000336657353 388459523 /nfs/dbraw/zinc/45/95/23/388459523.db2.gz LVRQCRCGKXJJCR-HTQZYQBOSA-N 2 0 237.294 0.425 20 0 BCADRP C[C@H](NC(=O)CC[NH2+]C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000515433699 256745965 /nfs/dbraw/zinc/74/59/65/256745965.db2.gz YIQNAJMKECQSKB-WDEREUQCSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H](O)CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336659940 388460706 /nfs/dbraw/zinc/46/07/06/388460706.db2.gz BRCROGVSYSKJCR-NWDGAFQWSA-N 2 0 212.337 0.785 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])C(C)C ZINC000336710103 388466574 /nfs/dbraw/zinc/46/65/74/388466574.db2.gz SZGLCKPMSBJFPQ-BDAKNGLRSA-N 2 0 201.314 0.069 20 0 BCADRP CCCCNC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000336726947 388470353 /nfs/dbraw/zinc/47/03/53/388470353.db2.gz VQFGYHMYIZIXOL-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@@H](C[NH3+])C1)[C@H](C)[NH3+] ZINC000646670046 388410486 /nfs/dbraw/zinc/41/04/86/388410486.db2.gz WLUWDQKIBSCKKH-DCAQKATOSA-N 2 0 227.352 0.413 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000646671997 388411844 /nfs/dbraw/zinc/41/18/44/388411844.db2.gz PQVZMJCQSHFWQP-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646689359 388417603 /nfs/dbraw/zinc/41/76/03/388417603.db2.gz PHTVMWDMGFNCEN-JTQLQIEISA-N 2 0 227.352 0.489 20 0 BCADRP C[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2CCNC2=O)C1 ZINC000573164746 388427919 /nfs/dbraw/zinc/42/79/19/388427919.db2.gz XBQXINRRESWEGQ-NWDGAFQWSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000517139622 388539917 /nfs/dbraw/zinc/53/99/17/388539917.db2.gz LFZZRBMTSOZEKZ-MWLCHTKSSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CC[NH3+] ZINC000517234471 388543224 /nfs/dbraw/zinc/54/32/24/388543224.db2.gz ISMXPODVVSMZRR-SNVBAGLBSA-N 2 0 227.352 0.524 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000517234902 388543942 /nfs/dbraw/zinc/54/39/42/388543942.db2.gz UEYKREYRYOUBJD-LOWVWBTDSA-N 2 0 237.347 0.183 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CC(C)C ZINC000034754752 388482027 /nfs/dbraw/zinc/48/20/27/388482027.db2.gz KLHMAELHTCGRPJ-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000646760531 388483010 /nfs/dbraw/zinc/48/30/10/388483010.db2.gz MFCSSYPTFUCWFL-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[NH+](C)C ZINC000649272526 388483311 /nfs/dbraw/zinc/48/33/11/388483311.db2.gz DRPLCJWEYHXCEW-UTLUCORTSA-N 2 0 213.325 0.132 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[NH2+]CC1(C)C ZINC000649273616 388485027 /nfs/dbraw/zinc/48/50/27/388485027.db2.gz WWFUOFYJFNJQAL-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP C[NH+](C)CCCCNC(=O)C[C@@H]1CCC[C@@H]1[NH3+] ZINC000340127611 388487617 /nfs/dbraw/zinc/48/76/17/388487617.db2.gz WJRYEJJMPXXPMV-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000405797259 388491523 /nfs/dbraw/zinc/49/15/23/388491523.db2.gz QOFRJRNATHAOOX-SDDRHHMPSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH+](C)CC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000311035298 388492326 /nfs/dbraw/zinc/49/23/26/388492326.db2.gz FQWDXKYGZWRTQD-QWHCGFSZSA-N 2 0 247.342 0.420 20 0 BCADRP C[C@@H]1CCCN(C(=O)CCCC[NH3+])[C@@H]1C[NH3+] ZINC000646770750 388493537 /nfs/dbraw/zinc/49/35/37/388493537.db2.gz CQRNHCOUPYVTFT-GHMZBOCLSA-N 2 0 227.352 0.701 20 0 BCADRP [NH3+]CCCCC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000646778603 388499122 /nfs/dbraw/zinc/49/91/22/388499122.db2.gz BDQJUERSTDLVIS-QWRGUYRKSA-N 2 0 227.352 0.749 20 0 BCADRP C[C@@H](CC(=O)N(C)CCC[NH3+])C1CC[NH2+]CC1 ZINC000646783195 388500651 /nfs/dbraw/zinc/50/06/51/388500651.db2.gz TXXAXDBJMJYBTN-NSHDSACASA-N 2 0 241.379 0.819 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646783177 388500841 /nfs/dbraw/zinc/50/08/41/388500841.db2.gz SBYRXLHKKYPMIB-NWDGAFQWSA-N 2 0 239.363 0.429 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000646782112 388501399 /nfs/dbraw/zinc/50/13/99/388501399.db2.gz GFKBLVNIHLDFCP-CYBMUJFWSA-N 2 0 247.342 0.681 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC(C)(C)C[NH+](C)C)CC[N@@H+]1C ZINC000648926645 388502711 /nfs/dbraw/zinc/50/27/11/388502711.db2.gz LAFQAHRBHUTVNF-GHMZBOCLSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@@H]([NH3+])c1ccc(NC(=O)COCC[NH3+])cc1 ZINC000646789399 388505632 /nfs/dbraw/zinc/50/56/32/388505632.db2.gz JZZIVUOCPGSQBG-SECBINFHSA-N 2 0 237.303 0.620 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000576821670 388507035 /nfs/dbraw/zinc/50/70/35/388507035.db2.gz ZGDZERWCBKVKLQ-PWSUYJOCSA-N 2 0 241.379 0.816 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000378807843 388508718 /nfs/dbraw/zinc/50/87/18/388508718.db2.gz XYUPDKSFYCBYGS-OPRDCNLKSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H](C)O ZINC000516965529 256809083 /nfs/dbraw/zinc/80/90/83/256809083.db2.gz ZSCSOZRHFKYKEE-NEPJUHHUSA-N 2 0 243.395 0.371 20 0 BCADRP C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000516768530 388515881 /nfs/dbraw/zinc/51/58/81/388515881.db2.gz XICMJIJEDWBVPY-TUAOUCFPSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000516783703 388517280 /nfs/dbraw/zinc/51/72/80/388517280.db2.gz FKDNGONZNRMYRO-VIFPVBQESA-N 2 0 233.315 0.879 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](Cc2cnnn2C)CC1 ZINC000347219441 388522558 /nfs/dbraw/zinc/52/25/58/388522558.db2.gz SKIVMYMTEHJVBG-VIFPVBQESA-N 2 0 223.324 0.374 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000516868143 388522651 /nfs/dbraw/zinc/52/26/51/388522651.db2.gz UGPGFXZIKBXYCU-IJLUTSLNSA-N 2 0 211.353 0.655 20 0 BCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](C)C2)C1 ZINC000564345786 388527776 /nfs/dbraw/zinc/52/77/76/388527776.db2.gz DAEAJZBBGYZEBY-NWDGAFQWSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](C)C2)C1 ZINC000564345809 388527915 /nfs/dbraw/zinc/52/79/15/388527915.db2.gz DAEAJZBBGYZEBY-RYUDHWBXSA-N 2 0 239.363 0.396 20 0 BCADRP CO[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000516970669 388529498 /nfs/dbraw/zinc/52/94/98/388529498.db2.gz YTZFJYGFOXSVSS-FRRDWIJNSA-N 2 0 241.379 0.424 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C[C@H](C)n1ccnc1 ZINC000516977489 388529842 /nfs/dbraw/zinc/52/98/42/388529842.db2.gz FENRCYHZJLWCAT-ZJUUUORDSA-N 2 0 224.308 0.688 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000517029630 388533343 /nfs/dbraw/zinc/53/33/43/388533343.db2.gz YLLSSFZXFPBQCF-DCAQKATOSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C[NH+](C)C)cc1 ZINC000646805543 388536140 /nfs/dbraw/zinc/53/61/40/388536140.db2.gz ZAPFVRXZIKIMGS-SNVBAGLBSA-N 2 0 235.331 0.884 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649303806 388587469 /nfs/dbraw/zinc/58/74/69/388587469.db2.gz HCOIHFRWTWJJSM-WYUUTHIRSA-N 2 0 239.363 0.298 20 0 BCADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCOC1 ZINC000186588653 388601589 /nfs/dbraw/zinc/60/15/89/388601589.db2.gz NTWHMZAGAZQIMV-CHWSQXEVSA-N 2 0 241.379 0.391 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C[NH2+]C1CC1 ZINC000245969862 388612190 /nfs/dbraw/zinc/61/21/90/388612190.db2.gz NVFUAVBVSMXLGC-ZYHUDNBSSA-N 2 0 239.363 0.537 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646839284 388613000 /nfs/dbraw/zinc/61/30/00/388613000.db2.gz ALKOTFCNXAYDLF-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000517719694 388557392 /nfs/dbraw/zinc/55/73/92/388557392.db2.gz NOENOZRQFNTTDO-IJLUTSLNSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646823377 388558269 /nfs/dbraw/zinc/55/82/69/388558269.db2.gz ZOJVHKVWTZXQHU-QWRGUYRKSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000521041795 388560637 /nfs/dbraw/zinc/56/06/37/388560637.db2.gz ZKGOJWLIGULDMW-WCABBAIRSA-N 2 0 225.336 0.384 20 0 BCADRP C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000368611733 388569751 /nfs/dbraw/zinc/56/97/51/388569751.db2.gz DSROZCGHSRTCBS-WRWGMCAJSA-N 2 0 212.337 0.830 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000581129983 388570924 /nfs/dbraw/zinc/57/09/24/388570924.db2.gz FIXBNQUATWMTLO-GARJFASQSA-N 2 0 225.336 0.052 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217810165 388573396 /nfs/dbraw/zinc/57/33/96/388573396.db2.gz MBDZZULCUKOODP-MXWKQRLJSA-N 2 0 225.336 0.467 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCCO)[C@@H](C)C1 ZINC000245421229 388578000 /nfs/dbraw/zinc/57/80/00/388578000.db2.gz HVIRELVYBCESBY-QWHCGFSZSA-N 2 0 244.379 0.657 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649301607 388584231 /nfs/dbraw/zinc/58/42/31/388584231.db2.gz GLJLIMIQVDAGPV-FHUSYTEZSA-N 2 0 249.358 0.195 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000522001374 388673742 /nfs/dbraw/zinc/67/37/42/388673742.db2.gz HNZDZZYLFAPUEC-LOWVWBTDSA-N 2 0 237.347 0.196 20 0 BCADRP COC[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000248198535 388675198 /nfs/dbraw/zinc/67/51/98/388675198.db2.gz XWAUDGMAQPQILP-OLZOCXBDSA-N 2 0 244.379 0.848 20 0 BCADRP COC[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000248198536 388675646 /nfs/dbraw/zinc/67/56/46/388675646.db2.gz XWAUDGMAQPQILP-STQMWFEESA-N 2 0 244.379 0.848 20 0 BCADRP O=C(CCC1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C1 ZINC000154515615 388625226 /nfs/dbraw/zinc/62/52/26/388625226.db2.gz SVJNISLLVRZQHE-LLVKDONJSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H](CO)[NH+](C)CCCC[N@@H+](C)[C@H](C)CO ZINC000551419161 388629225 /nfs/dbraw/zinc/62/92/25/388629225.db2.gz SPMQXJOMXGEJJM-VXGBXAGGSA-N 2 0 232.368 0.392 20 0 BCADRP C[C@]1(CN[C@@H]2CC[NH2+]C23CCC3)CC[NH2+]C1 ZINC000530244741 388638832 /nfs/dbraw/zinc/63/88/32/388638832.db2.gz NCVGULUYRJMSIV-NEPJUHHUSA-N 2 0 223.364 0.860 20 0 BCADRP C[C@@]1(CN[C@@H]2CC[NH2+]C23CCC3)CC[NH2+]C1 ZINC000530244744 388639196 /nfs/dbraw/zinc/63/91/96/388639196.db2.gz NCVGULUYRJMSIV-VXGBXAGGSA-N 2 0 223.364 0.860 20 0 BCADRP c1cc2c(cc1N[C@H]1CC[NH2+]C1)OCC[NH2+]C2 ZINC000530246498 388639702 /nfs/dbraw/zinc/63/97/02/388639702.db2.gz IEIJBQYXLWFDGX-LBPRGKRZSA-N 2 0 233.315 0.942 20 0 BCADRP COCC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223654142 388656212 /nfs/dbraw/zinc/65/62/12/388656212.db2.gz QCTKLCXRMOBWIJ-AVGNSLFASA-N 2 0 244.379 0.846 20 0 BCADRP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252696475 388658479 /nfs/dbraw/zinc/65/84/79/388658479.db2.gz AMEHLEPIADMURA-GMTAPVOTSA-N 2 0 241.379 0.959 20 0 BCADRP CC[NH+](CC)CCCN1CCC[C@@H]1C(=O)NC ZINC000191462388 388664166 /nfs/dbraw/zinc/66/41/66/388664166.db2.gz NLVKXMCSKIDVTK-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000128174284 388740060 /nfs/dbraw/zinc/74/00/60/388740060.db2.gz WLZPABIPSLBMOA-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227803352 388758058 /nfs/dbraw/zinc/75/80/58/388758058.db2.gz DMBJQQZIYCDRBZ-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646870216 388688303 /nfs/dbraw/zinc/68/83/03/388688303.db2.gz BNWICSXVACDKKX-ADEWGFFLSA-N 2 0 239.363 0.333 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000248846430 388695820 /nfs/dbraw/zinc/69/58/20/388695820.db2.gz HZYJGZNELAIQQR-VWYCJHECSA-N 2 0 227.352 0.700 20 0 BCADRP C[NH+](C)CCCCC(=O)NCC[N@H+](C)C1CC1 ZINC000552362568 388697359 /nfs/dbraw/zinc/69/73/59/388697359.db2.gz CCSNSIBCVIXORF-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000126929856 388709558 /nfs/dbraw/zinc/70/95/58/388709558.db2.gz UJUAYPFYMUZSNL-IJLUTSLNSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000564209473 388710318 /nfs/dbraw/zinc/71/03/18/388710318.db2.gz WXZTVBPCCGSAPD-HSTDOPHLSA-N 2 0 237.347 0.467 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC000522184205 388716012 /nfs/dbraw/zinc/71/60/12/388716012.db2.gz UCLOCMBZRJAWMB-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](CNC(=O)C(C)(C)[NH3+])[N@H+](C)C1CC1 ZINC000226398424 388718563 /nfs/dbraw/zinc/71/85/63/388718563.db2.gz PVPCPXNTSMCPCM-MRVPVSSYSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000540022476 388793253 /nfs/dbraw/zinc/79/32/53/388793253.db2.gz PJNRKYCVCVNKRH-WOPDTQHZSA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@@H](O)C[NH2+]C1CC[NH+](CC)CC1 ZINC000229963113 388806821 /nfs/dbraw/zinc/80/68/21/388806821.db2.gz YEFFFDCBZKCULV-LLVKDONJSA-N 2 0 200.326 0.831 20 0 BCADRP C[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+](C)C)C1 ZINC000553256730 388758829 /nfs/dbraw/zinc/75/88/29/388758829.db2.gz LDZHIJXIYRJTPB-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000553794142 388789681 /nfs/dbraw/zinc/78/96/81/388789681.db2.gz FYNFAMBDNZTDSR-VHSXEESVSA-N 2 0 213.325 0.004 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)Cn1ccnc1 ZINC000555222007 388841562 /nfs/dbraw/zinc/84/15/62/388841562.db2.gz CWDXOXVGTIBKGF-JTQLQIEISA-N 2 0 222.292 0.094 20 0 BCADRP C[C@@H]1CN(CCOC[C@@H]2CCCO2)C[C@H]1[NH3+] ZINC000564644722 388881864 /nfs/dbraw/zinc/88/18/64/388881864.db2.gz RYMQWGJMHMKICQ-GRYCIOLGSA-N 2 0 228.336 0.461 20 0 BCADRP C[NH2+]Cc1cccc(NC(=O)[C@@H](C)C[NH3+])c1 ZINC000564650777 388882097 /nfs/dbraw/zinc/88/20/97/388882097.db2.gz BAIDQYOAHODDNL-VIFPVBQESA-N 2 0 221.304 0.939 20 0 BCADRP C[NH2+]CC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000564655214 388884089 /nfs/dbraw/zinc/88/40/89/388884089.db2.gz DRAVHSGPWIVWDJ-VIFPVBQESA-N 2 0 221.304 0.542 20 0 BCADRP CN(C[C@H](O)C[NH2+]C[C@H]1CC12CC2)C1CC1 ZINC000564855798 388893840 /nfs/dbraw/zinc/89/38/40/388893840.db2.gz FASMXVULPJBQAX-ZYHUDNBSSA-N 2 0 224.348 0.831 20 0 BCADRP COc1c(C)cnc(Cn2nnnc2C[NH3+])c1C ZINC000564926976 388898054 /nfs/dbraw/zinc/89/80/54/388898054.db2.gz PHVCBSGMGKYJSL-UHFFFAOYSA-N 2 0 248.290 0.201 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)CCCC[NH3+] ZINC000564917893 388898143 /nfs/dbraw/zinc/89/81/43/388898143.db2.gz CHHDGIBLUYXFIU-UHFFFAOYSA-N 2 0 229.368 0.964 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000564933044 388898832 /nfs/dbraw/zinc/89/88/32/388898832.db2.gz JSCOSKGSAMZZBQ-TUAOUCFPSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000564957291 388901407 /nfs/dbraw/zinc/90/14/07/388901407.db2.gz LJAWFIHXSJFUFO-CMPLNLGQSA-N 2 0 235.331 0.930 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000564956779 388901488 /nfs/dbraw/zinc/90/14/88/388901488.db2.gz SCVXTOXHTFCQNP-VWYCJHECSA-N 2 0 227.352 0.603 20 0 BCADRP [NH3+]CCOCCN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000564989452 388905694 /nfs/dbraw/zinc/90/56/94/388905694.db2.gz LMRYWDQQRIYWDD-CHWSQXEVSA-N 2 0 241.379 0.568 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)CC[NH3+] ZINC000564993327 388906643 /nfs/dbraw/zinc/90/66/43/388906643.db2.gz SYSJLAVRMYMNQA-NSHDSACASA-N 2 0 249.358 0.916 20 0 BCADRP C[C@@H](CNC(=O)C1([NH3+])CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000262160932 388907357 /nfs/dbraw/zinc/90/73/57/388907357.db2.gz VBQKYYZICIBDFB-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP CCN(C)C[C@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1CO ZINC000565158470 388918408 /nfs/dbraw/zinc/91/84/08/388918408.db2.gz SDJJTAJHJSNIEK-UPJWGTAASA-N 2 0 244.379 0.534 20 0 BCADRP C[C@]1(C(=O)NCCNc2cc[nH+]cc2)CC[NH2+]C1 ZINC000565304868 388936377 /nfs/dbraw/zinc/93/63/77/388936377.db2.gz HHQZZKMREAIPOR-ZDUSSCGKSA-N 2 0 248.330 0.031 20 0 BCADRP C[C@@H](Cc1c[nH]cn1)C(=O)NCCn1ccnc1 ZINC000565181040 388922341 /nfs/dbraw/zinc/92/23/41/388922341.db2.gz LMDGFBPIFDRBJQ-JTQLQIEISA-N 2 0 247.302 0.601 20 0 BCADRP CC[C@H]1CC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000565308785 388934559 /nfs/dbraw/zinc/93/45/59/388934559.db2.gz DPHIMRIEVPMNTD-QWRGUYRKSA-N 2 0 200.326 0.689 20 0 BCADRP C[NH2+][C@H]1CCCN(CCN2CCO[C@H](C)C2)C1 ZINC000564988102 388904682 /nfs/dbraw/zinc/90/46/82/388904682.db2.gz IAANUPWGRJYPJD-OLZOCXBDSA-N 2 0 241.379 0.391 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(Cc2nc(C3CC3)nn2C)C1 ZINC000564987699 388904873 /nfs/dbraw/zinc/90/48/73/388904873.db2.gz HFJFZHUIAQMVGG-MWLCHTKSSA-N 2 0 249.362 0.862 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)c2c[nH+]ccc2N)C1 ZINC000564983231 388905024 /nfs/dbraw/zinc/90/50/24/388905024.db2.gz NTIGQXOYCDZKGX-SNVBAGLBSA-N 2 0 248.330 0.566 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000565715502 388964779 /nfs/dbraw/zinc/96/47/79/388964779.db2.gz AUQFHLUNIGPQEZ-WCABBAIRSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@@H]1CCN(C(=O)C[NH2+]C2CC2)C[C@@H]1C[NH3+] ZINC000565410933 388942140 /nfs/dbraw/zinc/94/21/40/388942140.db2.gz BOEOQIMTZAFCIO-ZJUUUORDSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000565480205 388949140 /nfs/dbraw/zinc/94/91/40/388949140.db2.gz BGSDRZOCRNZMBA-FRRDWIJNSA-N 2 0 242.363 0.851 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000565538333 388952558 /nfs/dbraw/zinc/95/25/58/388952558.db2.gz TXYVNOYPNMTFMX-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000565597569 388956683 /nfs/dbraw/zinc/95/66/83/388956683.db2.gz RILBGXUKPISOTH-MNOVXSKESA-N 2 0 241.379 0.959 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000565603339 388957099 /nfs/dbraw/zinc/95/70/99/388957099.db2.gz GLSGGVWGGZBDKW-NHCYSSNCSA-N 2 0 225.336 0.385 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000565597572 388957316 /nfs/dbraw/zinc/95/73/16/388957316.db2.gz RILBGXUKPISOTH-WDEREUQCSA-N 2 0 241.379 0.959 20 0 BCADRP CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000566008952 388983745 /nfs/dbraw/zinc/98/37/45/388983745.db2.gz SHKYOFPKMALLCV-NSHDSACASA-N 2 0 249.314 0.844 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CO)CC(F)F)C1 ZINC000566020380 388984308 /nfs/dbraw/zinc/98/43/08/388984308.db2.gz NULNLSPMAMYXNB-HRDYMLBCSA-N 2 0 222.279 0.862 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CO)CC(F)F)C1 ZINC000566020379 388984990 /nfs/dbraw/zinc/98/49/90/388984990.db2.gz NULNLSPMAMYXNB-HLTSFMKQSA-N 2 0 222.279 0.862 20 0 BCADRP CC[C@H](O)C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000566063656 388985458 /nfs/dbraw/zinc/98/54/58/388985458.db2.gz GJXZVRBKMQLRSP-STQMWFEESA-N 2 0 243.395 0.230 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccnc(C[NH3+])c1 ZINC000566099214 388987009 /nfs/dbraw/zinc/98/70/09/388987009.db2.gz YDNUZNXGAUIFNZ-CABZTGNLSA-N 2 0 248.330 0.268 20 0 BCADRP Cc1cc(N2CC[NH+](C[C@@H](C)O)CC2)cc[nH+]1 ZINC000276827510 132206851 /nfs/dbraw/zinc/20/68/51/132206851.db2.gz UTGSJZGIRHYDQX-GFCCVEGCSA-N 2 0 235.331 0.893 20 0 BCADRP c1cc(N[C@H]2CC[NH2+]C2)ncc1N1CC[NH2+]CC1 ZINC000333821039 132245671 /nfs/dbraw/zinc/24/56/71/132245671.db2.gz KWETXNYJGCWRNN-NSHDSACASA-N 2 0 247.346 0.265 20 0 BCADRP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C1C[NH2+]C1 ZINC000378635650 132290284 /nfs/dbraw/zinc/29/02/84/132290284.db2.gz GWZRVRMEZNHZCL-UHFFFAOYSA-N 2 0 245.326 0.644 20 0 BCADRP [NH3+]CCN1CCN(c2cc[nH+]cc2)CC1 ZINC000037039472 132343347 /nfs/dbraw/zinc/34/33/47/132343347.db2.gz JYQXMQBFAUXDOF-UHFFFAOYSA-N 2 0 206.293 0.162 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000062116513 133520340 /nfs/dbraw/zinc/52/03/40/133520340.db2.gz AYISSJCDFTXNOJ-ZJUUUORDSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000343476804 133686827 /nfs/dbraw/zinc/68/68/27/133686827.db2.gz NYKZAUILGZEDJM-DDHJBXDOSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000335426271 133843123 /nfs/dbraw/zinc/84/31/23/133843123.db2.gz RVECJSIQJIBNPR-ZYHUDNBSSA-N 2 0 237.347 0.410 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1(C)CC[NH2+]CC1 ZINC000335424291 133863551 /nfs/dbraw/zinc/86/35/51/133863551.db2.gz FMTIBNJKOSZAQR-GHMZBOCLSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]1C[N@H+](CCn2ccnc2)[C@@H](C)CN1C ZINC000335975396 134030922 /nfs/dbraw/zinc/03/09/22/134030922.db2.gz XILOPNYZIYBOSK-RYUDHWBXSA-N 2 0 222.336 0.908 20 0 BCADRP C[C@@]1(C(=O)NCC2(C)CC[NH2+]CC2)CC[NH2+]C1 ZINC000335986681 134039064 /nfs/dbraw/zinc/03/90/64/134039064.db2.gz WZYGKDBMIAANOT-CYBMUJFWSA-N 2 0 239.363 0.492 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335990114 134039711 /nfs/dbraw/zinc/03/97/11/134039711.db2.gz IYQQDYGFSKAMLY-GFCCVEGCSA-N 2 0 225.336 0.327 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CC[NH2+]CC1 ZINC000336003940 134048576 /nfs/dbraw/zinc/04/85/76/134048576.db2.gz BYBWAYCTNHKULP-NWDGAFQWSA-N 2 0 239.363 0.585 20 0 BCADRP CN(C)C(=O)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000336010457 134051036 /nfs/dbraw/zinc/05/10/36/134051036.db2.gz YXXGDCVELUIHHH-LLVKDONJSA-N 2 0 227.352 0.491 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336028957 134057941 /nfs/dbraw/zinc/05/79/41/134057941.db2.gz BKVYPCPCHMLVPT-CHWSQXEVSA-N 2 0 223.364 0.671 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CC([NH3+])C1 ZINC000336212082 134134590 /nfs/dbraw/zinc/13/45/90/134134590.db2.gz YGTJJFBKBWGQKY-WFBLGPOFSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C2([NH3+])CCC2)C[N@@H+]1C1CC1 ZINC000336213116 134135593 /nfs/dbraw/zinc/13/55/93/134135593.db2.gz CVVVXOIPVGCNDZ-VHSXEESVSA-N 2 0 237.347 0.609 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1([NH3+])CCC1 ZINC000336213351 134135713 /nfs/dbraw/zinc/13/57/13/134135713.db2.gz NRHZXORENDBSKJ-KOLCDFICSA-N 2 0 237.347 0.467 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000167896378 134154706 /nfs/dbraw/zinc/15/47/06/134154706.db2.gz ZJGORJDUSXVJAH-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC ZINC000358939839 134193158 /nfs/dbraw/zinc/19/31/58/134193158.db2.gz UQHAEWXXHGBWRA-SNVBAGLBSA-N 2 0 215.341 0.442 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C2([NH3+])CC2)C1 ZINC000169027018 134248767 /nfs/dbraw/zinc/24/87/67/134248767.db2.gz AQJGYHUARXRVER-NXEZZACHSA-N 2 0 225.336 0.467 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C2([NH3+])CC2)C1 ZINC000169027091 134249161 /nfs/dbraw/zinc/24/91/61/134249161.db2.gz AQJGYHUARXRVER-ZJUUUORDSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000169809163 134251803 /nfs/dbraw/zinc/25/18/03/134251803.db2.gz FECISGQEKDKAGU-ZYHUDNBSSA-N 2 0 233.315 0.507 20 0 BCADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000178249582 134305538 /nfs/dbraw/zinc/30/55/38/134305538.db2.gz NSGPONINMBOALO-BXKDBHETSA-N 2 0 249.314 0.633 20 0 BCADRP C[C@H]1CN(C(=O)C2([NH3+])CCCC2)C[C@H](C)[NH2+]1 ZINC000178409891 134309975 /nfs/dbraw/zinc/30/99/75/134309975.db2.gz CTUAVQKKMACZPN-UWVGGRQHSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000178405434 134310180 /nfs/dbraw/zinc/31/01/80/134310180.db2.gz QWKMIMWYFPRDOD-ZYHUDNBSSA-N 2 0 233.315 0.494 20 0 BCADRP CN(C(=O)[C@@H]([NH3+])c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000178409557 134310291 /nfs/dbraw/zinc/31/02/91/134310291.db2.gz OHWVUWMCNSOOGW-RYUDHWBXSA-N 2 0 233.315 0.507 20 0 BCADRP O=C([C@@H]1CC[NH2+]C1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747921 134310931 /nfs/dbraw/zinc/31/09/31/134310931.db2.gz RNXKOIUCMDXFSS-LLVKDONJSA-N 2 0 237.347 0.293 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178774291 134311510 /nfs/dbraw/zinc/31/15/10/134311510.db2.gz MYZPJUKICBEDCP-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP CCCN(C(=O)[C@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000178933900 134313842 /nfs/dbraw/zinc/31/38/42/134313842.db2.gz WYQCWNNNWZCLTL-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH3+])[C@H](C)C1 ZINC000178814225 134315767 /nfs/dbraw/zinc/31/57/67/134315767.db2.gz VXAYLOZXHBEMTR-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH2+]C)[C@H](C)C1 ZINC000178814054 134315790 /nfs/dbraw/zinc/31/57/90/134315790.db2.gz JECQIJLBTFMYMS-MNOVXSKESA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CCC[NH3+])C[N@@H+]1C1CC1 ZINC000178867505 134315974 /nfs/dbraw/zinc/31/59/74/134315974.db2.gz KDNRQSQPUVZHGU-NXEZZACHSA-N 2 0 225.336 0.467 20 0 BCADRP O[C@]1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCOC1 ZINC000222418977 134332213 /nfs/dbraw/zinc/33/22/13/134332213.db2.gz VCUGZOOXABFCSJ-XQQFMLRXSA-N 2 0 240.347 0.354 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]2(C)CCCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000180897426 134332255 /nfs/dbraw/zinc/33/22/55/134332255.db2.gz CCXSHRITHOQCED-LOWVWBTDSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000181276660 134335336 /nfs/dbraw/zinc/33/53/36/134335336.db2.gz DUDDSEWVPALAOX-SNVBAGLBSA-N 2 0 241.379 0.866 20 0 BCADRP COC[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000223968825 134343824 /nfs/dbraw/zinc/34/38/24/134343824.db2.gz GSNHCJQMVRARRD-GRYCIOLGSA-N 2 0 242.363 0.599 20 0 BCADRP CC[C@@]1(C(=O)N2CC[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000184074305 134357808 /nfs/dbraw/zinc/35/78/08/134357808.db2.gz UCRLVJMZBWRHBB-PWSUYJOCSA-N 2 0 225.336 0.326 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH3+])CCC1 ZINC000226082706 134358460 /nfs/dbraw/zinc/35/84/60/134358460.db2.gz ZFUNWELBFSVSTP-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000226081465 134358689 /nfs/dbraw/zinc/35/86/89/134358689.db2.gz XXJBMHGTUZTWIT-NXEZZACHSA-N 2 0 245.392 0.277 20 0 BCADRP C[NH2+]CC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184224874 134361187 /nfs/dbraw/zinc/36/11/87/134361187.db2.gz LSMKUSMHLPJPNP-UHFFFAOYSA-N 2 0 221.304 0.193 20 0 BCADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOCCO)CC[C@H]21 ZINC000227342771 134378329 /nfs/dbraw/zinc/37/83/29/134378329.db2.gz FTNBVPNCVNTAER-CHWSQXEVSA-N 2 0 242.363 0.411 20 0 BCADRP CO[C@@H](C[NH3+])C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000227374696 134379097 /nfs/dbraw/zinc/37/90/97/134379097.db2.gz RJISTIIZCYCJKA-QWRGUYRKSA-N 2 0 245.367 0.053 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062860050 134450909 /nfs/dbraw/zinc/45/09/09/134450909.db2.gz ZYXAOJGAXPUAHJ-WCQYABFASA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@]1(C(=O)NC2CCC([NH3+])CC2)CCC[NH2+]C1 ZINC000062860893 134450931 /nfs/dbraw/zinc/45/09/31/134450931.db2.gz AXJXVXIOSOFSJT-GCZXYKMCSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1C[C@H](C(=O)NCC(C)(C)[NH+](C)C)CC[NH2+]1 ZINC000235302961 134591794 /nfs/dbraw/zinc/59/17/94/134591794.db2.gz CZIDVCYBXRENAL-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000130183492 134617220 /nfs/dbraw/zinc/61/72/20/134617220.db2.gz FCHMZIVPZNAJNF-NXEZZACHSA-N 2 0 243.376 0.031 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559739 134634670 /nfs/dbraw/zinc/63/46/70/134634670.db2.gz DAGZUZYRQNQLFB-BDAKNGLRSA-N 2 0 201.314 0.180 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000153852232 134654254 /nfs/dbraw/zinc/65/42/54/134654254.db2.gz BUNMXHDBHUBUGT-LPEHRKFASA-N 2 0 213.325 0.051 20 0 BCADRP [NH3+][C@@H](CNC(=O)CC1CC[NH2+]CC1)C1CC1 ZINC000237967117 134848531 /nfs/dbraw/zinc/84/85/31/134848531.db2.gz ODBBZOAPMXGTJK-NSHDSACASA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000246258837 134882059 /nfs/dbraw/zinc/88/20/59/134882059.db2.gz KUMQAUPQSMGDDG-HOSYDEDBSA-N 2 0 243.326 0.322 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH2+]3)C[C@H]12 ZINC000248654405 135018316 /nfs/dbraw/zinc/01/83/16/135018316.db2.gz VVXPQZYXCZVLPN-NOOOWODRSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000249789513 135045295 /nfs/dbraw/zinc/04/52/95/135045295.db2.gz DXYGYRNNJZBCSF-OUAUKWLOSA-N 2 0 225.336 0.100 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249848891 135046764 /nfs/dbraw/zinc/04/67/64/135046764.db2.gz IAZHUFAFLOFHEJ-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250357638 135052339 /nfs/dbraw/zinc/05/23/39/135052339.db2.gz BLCJVGDLLZILSX-MNOVXSKESA-N 2 0 239.363 0.857 20 0 BCADRP C[NH+](C)CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250358572 135053109 /nfs/dbraw/zinc/05/31/09/135053109.db2.gz QZXGXEBDDLRJKD-NEPJUHHUSA-N 2 0 211.353 0.764 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250357639 135053155 /nfs/dbraw/zinc/05/31/55/135053155.db2.gz BLCJVGDLLZILSX-QWRGUYRKSA-N 2 0 239.363 0.857 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C[NH3+])C(C)C)C1 ZINC000250392109 135053605 /nfs/dbraw/zinc/05/36/05/135053605.db2.gz YFKAYFBHZIUWDY-NWDGAFQWSA-N 2 0 241.379 0.675 20 0 BCADRP C[C@H](O)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251041622 135061890 /nfs/dbraw/zinc/06/18/90/135061890.db2.gz LLMDEEHJTSSGNA-YFKTTZPYSA-N 2 0 212.337 0.972 20 0 BCADRP C[C@H](O)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000251041618 135062331 /nfs/dbraw/zinc/06/23/31/135062331.db2.gz LLMDEEHJTSSGNA-FIQHERPVSA-N 2 0 212.337 0.972 20 0 BCADRP C[C@H](O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251198569 135066360 /nfs/dbraw/zinc/06/63/60/135066360.db2.gz KFNZBTPDCRCACF-TUAOUCFPSA-N 2 0 212.337 0.974 20 0 BCADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC(C)(C)[NH3+] ZINC000251704137 135074774 /nfs/dbraw/zinc/07/47/74/135074774.db2.gz JASUVJIQZNIHFT-QWRGUYRKSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000252651588 135093260 /nfs/dbraw/zinc/09/32/60/135093260.db2.gz RYJLOFNCVMQKGF-QJPTWQEYSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000252639466 135093330 /nfs/dbraw/zinc/09/33/30/135093330.db2.gz JXKAFVKRFKGZIE-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000252660867 135094305 /nfs/dbraw/zinc/09/43/05/135094305.db2.gz BQUURSZIJJYVRS-FIQHERPVSA-N 2 0 214.353 0.933 20 0 BCADRP COC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000086700617 135095100 /nfs/dbraw/zinc/09/51/00/135095100.db2.gz GFAMJCNRBUNIRK-QWHCGFSZSA-N 2 0 244.379 0.704 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(O)CCC1 ZINC000252709083 135098054 /nfs/dbraw/zinc/09/80/54/135098054.db2.gz BYAJVTYHQJETNV-GHMZBOCLSA-N 2 0 212.337 0.831 20 0 BCADRP CNC(=O)CCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252710941 135099579 /nfs/dbraw/zinc/09/95/79/135099579.db2.gz IBTPNMIELGOKPP-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCC(=O)N(C)C ZINC000252715022 135101891 /nfs/dbraw/zinc/10/18/91/135101891.db2.gz UIQRIJGOWMEQOL-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP COC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252728277 135102298 /nfs/dbraw/zinc/10/22/98/135102298.db2.gz ARVFXOWXPPKYIX-IJLUTSLNSA-N 2 0 230.352 0.314 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000086930518 135102354 /nfs/dbraw/zinc/10/23/54/135102354.db2.gz OWWCSQBRLBTKBL-HBNTYKKESA-N 2 0 225.336 0.419 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCC[NH+](C)C ZINC000087121771 135107276 /nfs/dbraw/zinc/10/72/76/135107276.db2.gz PUXBAOVFEQPSLB-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000262367796 135118268 /nfs/dbraw/zinc/11/82/68/135118268.db2.gz LIGJQMZWXRHVAE-MWLCHTKSSA-N 2 0 245.392 0.135 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)O ZINC000253182683 135123127 /nfs/dbraw/zinc/12/31/27/135123127.db2.gz GAHCYEJXHNQUQS-NXEZZACHSA-N 2 0 200.326 0.687 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)O ZINC000253182684 135123156 /nfs/dbraw/zinc/12/31/56/135123156.db2.gz GAHCYEJXHNQUQS-VHSXEESVSA-N 2 0 200.326 0.687 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253194572 135123904 /nfs/dbraw/zinc/12/39/04/135123904.db2.gz QHEVVPLKUDQDTG-WDEREUQCSA-N 2 0 228.336 0.856 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000258657956 135132764 /nfs/dbraw/zinc/13/27/64/135132764.db2.gz SKMCYAZBDLNUEX-QWRGUYRKSA-N 2 0 240.351 0.132 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000258657951 135132818 /nfs/dbraw/zinc/13/28/18/135132818.db2.gz SKMCYAZBDLNUEX-MNOVXSKESA-N 2 0 240.351 0.132 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000258416252 135132998 /nfs/dbraw/zinc/13/29/98/135132998.db2.gz IZQHUBGGEJFXMT-QWRGUYRKSA-N 2 0 240.351 0.132 20 0 BCADRP CN(C[C@@H]1CCC[N@H+](C)C1)CC(C)(C)[NH3+] ZINC000258701930 135133580 /nfs/dbraw/zinc/13/35/80/135133580.db2.gz CDTLEIAVWXBOJF-LLVKDONJSA-N 2 0 213.369 0.997 20 0 BCADRP O=C([C@H]1CC[NH2+]C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257669907 135138412 /nfs/dbraw/zinc/13/84/12/135138412.db2.gz IFEAKTQUKCZPOU-AAEUAGOBSA-N 2 0 237.347 0.198 20 0 BCADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC(=O)N1C ZINC000257792578 135141543 /nfs/dbraw/zinc/14/15/43/135141543.db2.gz QJACVMIUDRGIID-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000087471644 135141580 /nfs/dbraw/zinc/14/15/80/135141580.db2.gz PFCZFHZAOGUEOG-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1C(=O)N(C)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000257768614 135141925 /nfs/dbraw/zinc/14/19/25/135141925.db2.gz BDGJVWFUEDZYHS-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP Cc1n[nH]cc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261545705 135150386 /nfs/dbraw/zinc/15/03/86/135150386.db2.gz KERXZRKXILKGAW-PSASIEDQSA-N 2 0 208.309 0.887 20 0 BCADRP CCOC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000261530171 135157471 /nfs/dbraw/zinc/15/74/71/135157471.db2.gz XPVVRBQCGRBEDU-DCAQKATOSA-N 2 0 200.326 0.999 20 0 BCADRP CN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000261530958 135158937 /nfs/dbraw/zinc/15/89/37/135158937.db2.gz DQVCAQJQDKLCRB-UTUOFQBUSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@](O)(C[NH2+][C@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000261531193 135159637 /nfs/dbraw/zinc/15/96/37/135159637.db2.gz FPPLFZYUMVTGMB-DLOVCJGASA-N 2 0 212.337 0.864 20 0 BCADRP OCC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000087647753 135161338 /nfs/dbraw/zinc/16/13/38/135161338.db2.gz FJHUOXOJDQBGNG-LBPRGKRZSA-N 2 0 212.337 0.690 20 0 BCADRP CC(C)OCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261537942 135174279 /nfs/dbraw/zinc/17/42/79/135174279.db2.gz WUZKQMVGIWWQBO-NWDGAFQWSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000261538576 135176103 /nfs/dbraw/zinc/17/61/03/135176103.db2.gz YPZASNNSXXQWSF-ZJUUUORDSA-N 2 0 200.326 0.959 20 0 BCADRP CC1(C)CC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000261538416 135176396 /nfs/dbraw/zinc/17/63/96/135176396.db2.gz XZOLTBRIIIVTNB-NSHDSACASA-N 2 0 211.353 0.670 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)CC[C@H](C)[NH3+] ZINC000261539472 135177738 /nfs/dbraw/zinc/17/77/38/135177738.db2.gz CNLAICPMKQGXLR-VIFPVBQESA-N 2 0 215.341 0.748 20 0 BCADRP CC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H]1O ZINC000261539793 135178981 /nfs/dbraw/zinc/17/89/81/135178981.db2.gz DDTZQKOGGKUYAH-NEPJUHHUSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@]1(C[N@@H+]2C[C@H](O)C3(CC3)C2)CC[NH2+]C1 ZINC000261541097 135180613 /nfs/dbraw/zinc/18/06/13/135180613.db2.gz FNCPZKSOUQIKRX-QWRGUYRKSA-N 2 0 210.321 0.443 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000261541699 135181883 /nfs/dbraw/zinc/18/18/83/135181883.db2.gz GCXXTDCDPSPACX-NXEZZACHSA-N 2 0 213.325 0.243 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000261541700 135182169 /nfs/dbraw/zinc/18/21/69/135182169.db2.gz GCXXTDCDPSPACX-ZJUUUORDSA-N 2 0 213.325 0.243 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000261544483 135185104 /nfs/dbraw/zinc/18/51/04/135185104.db2.gz YRGDUHRTSZKUQO-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)NC1CC1 ZINC000261544984 135186047 /nfs/dbraw/zinc/18/60/47/135186047.db2.gz FLQRERCPHYPXNG-UHFFFAOYSA-N 2 0 237.347 0.341 20 0 BCADRP CC1(C)C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@H]1O ZINC000261551154 135190411 /nfs/dbraw/zinc/19/04/11/135190411.db2.gz QFIANAOPNFPWSO-ZYHUDNBSSA-N 2 0 212.337 0.689 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000261552654 135192031 /nfs/dbraw/zinc/19/20/31/135192031.db2.gz RQKXMCXIVRKYCB-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])CC(C)C ZINC000261556865 135197300 /nfs/dbraw/zinc/19/73/00/135197300.db2.gz WKSVHFQDMAEJGA-ZJUUUORDSA-N 2 0 215.341 0.474 20 0 BCADRP C[C@H](O)[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261560374 135201536 /nfs/dbraw/zinc/20/15/36/135201536.db2.gz ZULZKWFFQGOQOA-SDDRHHMPSA-N 2 0 212.337 0.689 20 0 BCADRP COCCOCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261561179 135201780 /nfs/dbraw/zinc/20/17/80/135201780.db2.gz AKWYJFLOKNJHKW-RYUDHWBXSA-N 2 0 228.336 0.191 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000261562691 135204667 /nfs/dbraw/zinc/20/46/67/135204667.db2.gz BNMYPXDTMWHSKE-KXUCPTDWSA-N 2 0 213.325 0.357 20 0 BCADRP C[NH2+]CCC(=O)NCC1([NH3+])CCCCC1 ZINC000261563557 135205180 /nfs/dbraw/zinc/20/51/80/135205180.db2.gz BYEYKIQFOKHXGN-UHFFFAOYSA-N 2 0 213.325 0.374 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000261565762 135207695 /nfs/dbraw/zinc/20/76/95/135207695.db2.gz DFLXAMYZXZAIJU-LPEHRKFASA-N 2 0 213.325 0.084 20 0 BCADRP CC[C@@H]1C[N@H+](CCOCC[NH3+])C[C@@H](C)O1 ZINC000261569154 135211402 /nfs/dbraw/zinc/21/14/02/135211402.db2.gz GFDYYSYAMMNMKT-GHMZBOCLSA-N 2 0 216.325 0.461 20 0 BCADRP [NH3+]CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000261579871 135220298 /nfs/dbraw/zinc/22/02/98/135220298.db2.gz MNDBTIZDQUQOJW-NXEZZACHSA-N 2 0 213.325 0.359 20 0 BCADRP CN1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1=O ZINC000261584548 135225882 /nfs/dbraw/zinc/22/58/82/135225882.db2.gz PXXUYJCUVGVEAK-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1CCOCC[NH3+] ZINC000261588867 135229152 /nfs/dbraw/zinc/22/91/52/135229152.db2.gz SRPVUFAECBQFQJ-WDEREUQCSA-N 2 0 215.341 0.163 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1CCOCC[NH3+] ZINC000261588864 135229644 /nfs/dbraw/zinc/22/96/44/135229644.db2.gz SRPVUFAECBQFQJ-GHMZBOCLSA-N 2 0 215.341 0.163 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)CC[NH3+])c1ccsc1 ZINC000261589972 135230736 /nfs/dbraw/zinc/23/07/36/135230736.db2.gz UGEFPJXXOKUXOQ-JTQLQIEISA-N 2 0 241.360 0.816 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000261591120 135231789 /nfs/dbraw/zinc/23/17/89/135231789.db2.gz VBQALCPADZHATO-HGNGGELXSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000261592417 135232444 /nfs/dbraw/zinc/23/24/44/135232444.db2.gz VVOFFSWQXRWWRB-ATZCPNFKSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000261592423 135233074 /nfs/dbraw/zinc/23/30/74/135233074.db2.gz VVOFFSWQXRWWRB-WCABBAIRSA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)([NH3+])CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261594966 135235252 /nfs/dbraw/zinc/23/52/52/135235252.db2.gz XWKAYKPPLMMOSQ-GARJFASQSA-N 2 0 211.353 0.783 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000261597528 135236900 /nfs/dbraw/zinc/23/69/00/135236900.db2.gz ZEMRZGKWEQUHJS-WDEREUQCSA-N 2 0 223.324 0.337 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000261596842 135236933 /nfs/dbraw/zinc/23/69/33/135236933.db2.gz YYTVDJDMBXZDTR-ZYUZMQFOSA-N 2 0 213.325 0.084 20 0 BCADRP C[N@H+](C[C@@H]1CCOC1)C[C@]1(C)CC[NH2+]C1 ZINC000261547165 135240469 /nfs/dbraw/zinc/24/04/69/135240469.db2.gz LYOZCIQPKAIBEK-NWDGAFQWSA-N 2 0 212.337 0.954 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000261547595 135241301 /nfs/dbraw/zinc/24/13/01/135241301.db2.gz MOPJEKJYSCMILW-BBBLOLIVSA-N 2 0 215.341 0.474 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261650001 135242619 /nfs/dbraw/zinc/24/26/19/135242619.db2.gz FJROVMJVEZYKEZ-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000261641473 135242922 /nfs/dbraw/zinc/24/29/22/135242922.db2.gz GJXNVXFLCHEJFT-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@H](C)[NH2+]1 ZINC000261661180 135243302 /nfs/dbraw/zinc/24/33/02/135243302.db2.gz ASHQEWKEBXJEQJ-FIQHERPVSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@H]1CO ZINC000261693634 135245703 /nfs/dbraw/zinc/24/57/03/135245703.db2.gz BPQSFNSFNGIRRA-GRYCIOLGSA-N 2 0 212.337 0.546 20 0 BCADRP C[C@]1(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC000261693450 135245948 /nfs/dbraw/zinc/24/59/48/135245948.db2.gz BLFCOMMFXPETRP-XQQFMLRXSA-N 2 0 223.364 0.812 20 0 BCADRP COC(=O)[C@@]1(C)CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261716680 135247343 /nfs/dbraw/zinc/24/73/43/135247343.db2.gz FFKNHJZTGJLLBK-STQMWFEESA-N 2 0 240.347 0.871 20 0 BCADRP C[C@@]1(C[NH3+])CCN(CC(=O)Nc2ccncc2)C1 ZINC000261721865 135248449 /nfs/dbraw/zinc/24/84/49/135248449.db2.gz NMIMXRIOYIROJV-ZDUSSCGKSA-N 2 0 248.330 0.691 20 0 BCADRP [NH3+]CCC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261749807 135249666 /nfs/dbraw/zinc/24/96/66/135249666.db2.gz PEACONQVTBSWFZ-UHFFFAOYSA-N 2 0 235.331 0.365 20 0 BCADRP CO[C@@H]1CCN(CC[C@@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000261751545 135249861 /nfs/dbraw/zinc/24/98/61/135249861.db2.gz CGINDCVJXNTSAR-JHJVBQTASA-N 2 0 242.363 0.851 20 0 BCADRP CO[C@@H]1CCN(CC[C@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000261751547 135249995 /nfs/dbraw/zinc/24/99/95/135249995.db2.gz CGINDCVJXNTSAR-RWMBFGLXSA-N 2 0 242.363 0.851 20 0 BCADRP O=C1C[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)CN1 ZINC000261766554 135251476 /nfs/dbraw/zinc/25/14/76/135251476.db2.gz DIXGOSRPBNQPLK-ZDUSSCGKSA-N 2 0 237.347 0.198 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261812777 135255062 /nfs/dbraw/zinc/25/50/62/135255062.db2.gz HBVUTVAUGOWZHF-DGCLKSJQSA-N 2 0 241.379 0.866 20 0 BCADRP COC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000261825094 135255797 /nfs/dbraw/zinc/25/57/97/135255797.db2.gz IOUGWVZZMCVUFG-YPMHNXCESA-N 2 0 242.363 0.722 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000261830883 135255959 /nfs/dbraw/zinc/25/59/59/135255959.db2.gz NDMSVVJZWIYGER-AXFHLTTASA-N 2 0 227.352 0.665 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000261826348 135256113 /nfs/dbraw/zinc/25/61/13/135256113.db2.gz ISTJNHUCAZSBBE-AXFHLTTASA-N 2 0 225.336 0.276 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000261882545 135260014 /nfs/dbraw/zinc/26/00/14/135260014.db2.gz RXUCZJRICWACDQ-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261900092 135260721 /nfs/dbraw/zinc/26/07/21/135260721.db2.gz YVSGLVHKLAHNFD-YWVKMMECSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000261899655 135260725 /nfs/dbraw/zinc/26/07/25/135260725.db2.gz UVENNRBTZBHIBE-WOPDTQHZSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000261923076 135263627 /nfs/dbraw/zinc/26/36/27/135263627.db2.gz IUYHBGQZXGIHAT-NHCYSSNCSA-N 2 0 227.352 0.700 20 0 BCADRP CC[C@@H](C(=O)NC[C@H]([NH3+])C1CC1)[NH+](CC)CC ZINC000261925207 135263866 /nfs/dbraw/zinc/26/38/66/135263866.db2.gz JXPCGOXLPGZINK-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261933193 135264208 /nfs/dbraw/zinc/26/42/08/135264208.db2.gz BVNHFHZPULGJMU-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000261932978 135264583 /nfs/dbraw/zinc/26/45/83/135264583.db2.gz BUMAOLJTIBFRQW-HBNTYKKESA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1CN(CCN(C)CC(C)(C)[NH3+])C[C@H](C)O1 ZINC000261963960 135267141 /nfs/dbraw/zinc/26/71/41/135267141.db2.gz PQBHNRDQYMNDOJ-TXEJJXNPSA-N 2 0 243.395 0.765 20 0 BCADRP C[C@@]1(C[N@@H+]2CCSC[C@H]2CCO)CC[NH2+]C1 ZINC000261986608 135269320 /nfs/dbraw/zinc/26/93/20/135269320.db2.gz JTNDUOPDFVIFNV-VXGBXAGGSA-N 2 0 244.404 0.786 20 0 BCADRP C[NH2+]CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000261995804 135270234 /nfs/dbraw/zinc/27/02/34/135270234.db2.gz AHSUELIATZHKEN-CMPLNLGQSA-N 2 0 225.336 0.102 20 0 BCADRP [NH3+]CC1(C(=O)NC[C@H]([NH3+])C2CC2)CCCC1 ZINC000262000247 135271607 /nfs/dbraw/zinc/27/16/07/135271607.db2.gz ZWHDNRJCKMHNBF-JTQLQIEISA-N 2 0 225.336 0.359 20 0 BCADRP COCCO[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262012419 135272370 /nfs/dbraw/zinc/27/23/70/135272370.db2.gz MKDDZVKMQSRBKB-QWHCGFSZSA-N 2 0 242.363 0.723 20 0 BCADRP C[NH2+]CCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000262018217 135273045 /nfs/dbraw/zinc/27/30/45/135273045.db2.gz ACKNLJNAKHNLHF-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP CC1(C)CNC(=O)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000262051667 135275832 /nfs/dbraw/zinc/27/58/32/135275832.db2.gz ZRBLLFSBFBOCPM-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262061263 135277092 /nfs/dbraw/zinc/27/70/92/135277092.db2.gz IPOCFHFUOIFFDF-KOLCDFICSA-N 2 0 227.352 0.605 20 0 BCADRP OCC[C@H]1CSCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262225925 135286411 /nfs/dbraw/zinc/28/64/11/135286411.db2.gz NGKIASCYHIYZGD-LBPRGKRZSA-N 2 0 244.404 0.786 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342576631 135291064 /nfs/dbraw/zinc/29/10/64/135291064.db2.gz AHFZPAREJCQFTK-AAEUAGOBSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342576633 135291086 /nfs/dbraw/zinc/29/10/86/135291086.db2.gz AHFZPAREJCQFTK-WCQYABFASA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000262335003 135293582 /nfs/dbraw/zinc/29/35/82/135293582.db2.gz HDQCGLWQPYEMKQ-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000262338331 135294082 /nfs/dbraw/zinc/29/40/82/135294082.db2.gz HOMLMPPIGYMTLL-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C1([NH3+])CCCC1 ZINC000262406183 135295669 /nfs/dbraw/zinc/29/56/69/135295669.db2.gz BOBJOHXMOYHJOK-UHFFFAOYSA-N 2 0 227.352 0.892 20 0 BCADRP C[C@@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)C1C[NH2+]C1 ZINC000262394631 135298308 /nfs/dbraw/zinc/29/83/08/135298308.db2.gz ORDOJGKIWLQIOE-SKDRFNHKSA-N 2 0 239.363 0.298 20 0 BCADRP C[NH2+]CCC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000262388596 135298603 /nfs/dbraw/zinc/29/86/03/135298603.db2.gz NZJWYVBBWUZUPK-LLVKDONJSA-N 2 0 245.392 0.149 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CCCC[NH2+]1 ZINC000262439571 135299189 /nfs/dbraw/zinc/29/91/89/135299189.db2.gz MUXVGXWPXZVMPJ-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262461103 135300073 /nfs/dbraw/zinc/30/00/73/135300073.db2.gz VWKQUJFFQDJPBX-AXFHLTTASA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000262459477 135300157 /nfs/dbraw/zinc/30/01/57/135300157.db2.gz JCDBPMFLODLLBI-NAKRPEOUSA-N 2 0 227.352 0.603 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000262451684 135300200 /nfs/dbraw/zinc/30/02/00/135300200.db2.gz WAGGJXMEOHBUOW-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000262450238 135300249 /nfs/dbraw/zinc/30/02/49/135300249.db2.gz VUWOFWMCVLHIBO-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262469479 135300780 /nfs/dbraw/zinc/30/07/80/135300780.db2.gz ZNGLAMSUAQTNNC-JTQLQIEISA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000262484048 135302004 /nfs/dbraw/zinc/30/20/04/135302004.db2.gz ZWKDAFUINGZCAS-GMTAPVOTSA-N 2 0 227.352 0.522 20 0 BCADRP [NH3+][C@@H](C(=O)NCC1([NH3+])CCC1)c1ccccc1 ZINC000342600835 135302033 /nfs/dbraw/zinc/30/20/33/135302033.db2.gz XFXNNQMCHLGQRE-LLVKDONJSA-N 2 0 233.315 0.684 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000262551350 135305522 /nfs/dbraw/zinc/30/55/22/135305522.db2.gz YMXTYAKKCXOTET-JTQLQIEISA-N 2 0 235.331 0.825 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000262589546 135306975 /nfs/dbraw/zinc/30/69/75/135306975.db2.gz ZHJVTGWTNPTADW-LBPRGKRZSA-N 2 0 241.379 0.783 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262607242 135308434 /nfs/dbraw/zinc/30/84/34/135308434.db2.gz TVRWGQYRZTVUTP-GRYCIOLGSA-N 2 0 241.379 0.994 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000342745128 135310183 /nfs/dbraw/zinc/31/01/83/135310183.db2.gz UNTJIRDDQZZKPR-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000342751270 135311592 /nfs/dbraw/zinc/31/15/92/135311592.db2.gz NOOUBZUWLYYZKQ-QJPTWQEYSA-N 2 0 241.379 0.864 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342753323 135311952 /nfs/dbraw/zinc/31/19/52/135311952.db2.gz PQTOIRXSWJOPIO-ZDUSSCGKSA-N 2 0 241.379 0.834 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000342711494 135314101 /nfs/dbraw/zinc/31/41/01/135314101.db2.gz LXYCRBULAPQKQN-QWRGUYRKSA-N 2 0 227.352 0.298 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000262715800 135315922 /nfs/dbraw/zinc/31/59/22/135315922.db2.gz DMZRHXNASMFXSX-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP C[NH2+]CCCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000262781440 135318052 /nfs/dbraw/zinc/31/80/52/135318052.db2.gz YCBJAEPIHIBGKO-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@]2(C)CCCC[NH2+]2)CC[NH2+]1 ZINC000262787166 135318110 /nfs/dbraw/zinc/31/81/10/135318110.db2.gz CUBWSNLBXHDGHC-WZRBSPASSA-N 2 0 239.363 0.775 20 0 BCADRP C(NC1=[NH+]CCCN1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000262854534 135321595 /nfs/dbraw/zinc/32/15/95/135321595.db2.gz SSWLPCMDNLQDLT-GFCCVEGCSA-N 2 0 236.363 0.942 20 0 BCADRP CO[C@@H](C[NH3+])CC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000262893809 135323556 /nfs/dbraw/zinc/32/35/56/135323556.db2.gz OVHHYWVCYAOWLM-ZYHUDNBSSA-N 2 0 245.367 0.230 20 0 BCADRP CO[C@@H](C[NH3+])CC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000262893807 135323620 /nfs/dbraw/zinc/32/36/20/135323620.db2.gz OVHHYWVCYAOWLM-PWSUYJOCSA-N 2 0 245.367 0.230 20 0 BCADRP C[C@@]([NH3+])(C(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000262918966 135323824 /nfs/dbraw/zinc/32/38/24/135323824.db2.gz RPGWAKPQDNEXFO-JSGCOSHPSA-N 2 0 247.342 0.714 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000262967464 135325649 /nfs/dbraw/zinc/32/56/49/135325649.db2.gz LJWRALONOTUNFD-MDZLAQPJSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000263098462 135332833 /nfs/dbraw/zinc/33/28/33/135332833.db2.gz ZCZBUHDNPPXZER-GVXVVHGQSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263280125 135344186 /nfs/dbraw/zinc/34/41/86/135344186.db2.gz ZWIMNKQIMMRMOR-ZYHUDNBSSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263280117 135344530 /nfs/dbraw/zinc/34/45/30/135344530.db2.gz ZWIMNKQIMMRMOR-CMPLNLGQSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC[NH2+]1 ZINC000263304212 135344921 /nfs/dbraw/zinc/34/49/21/135344921.db2.gz XNVNXIKOQHVCNL-NQBHXWOUSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1C[NH2+]C1 ZINC000263293776 135344939 /nfs/dbraw/zinc/34/49/39/135344939.db2.gz MAJMXLGDRTYKQN-NWDGAFQWSA-N 2 0 237.347 0.291 20 0 BCADRP C[NH+](C)CC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000334306567 135349358 /nfs/dbraw/zinc/34/93/58/135349358.db2.gz GZSYBTHCDHSGGM-LBPRGKRZSA-N 2 0 225.336 0.102 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C1([NH3+])CCCCC1 ZINC000334325510 135353955 /nfs/dbraw/zinc/35/39/55/135353955.db2.gz KRGRDCQINLCVKK-QWRGUYRKSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCNCC2(F)F)CC[NH2+]1 ZINC000334399914 135389020 /nfs/dbraw/zinc/38/90/20/135389020.db2.gz DRAWPVDABAIHIL-RKDXNWHRSA-N 2 0 247.289 0.052 20 0 BCADRP Cc1cc(NC(=O)N2CC([NH+](C)C)C2)ccn1 ZINC000334414900 135397141 /nfs/dbraw/zinc/39/71/41/135397141.db2.gz NHVKGNFTKQDQFM-UHFFFAOYSA-N 2 0 234.303 0.590 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)C1CC[NH2+]CC1 ZINC000334432279 135405223 /nfs/dbraw/zinc/40/52/23/135405223.db2.gz LESASZCUOWPZPN-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C1(C[NH3+])CCCC1 ZINC000334440567 135409554 /nfs/dbraw/zinc/40/95/54/135409554.db2.gz XHQSYYUKYZMREE-WDEREUQCSA-N 2 0 239.363 0.701 20 0 BCADRP CC[NH+]1CCC(NC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000089745773 135540338 /nfs/dbraw/zinc/54/03/38/135540338.db2.gz XCQLQPRDHNQAEB-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193523711 135594024 /nfs/dbraw/zinc/59/40/24/135594024.db2.gz DXHDBIXMMBEHCD-OUAUKWLOSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000193545544 135599650 /nfs/dbraw/zinc/59/96/50/135599650.db2.gz ALTKNOAHQHZACR-DCAQKATOSA-N 2 0 225.336 0.385 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CCC[NH2+]1 ZINC000343790707 135693974 /nfs/dbraw/zinc/69/39/74/135693974.db2.gz WKHLBSLAYJHFPY-NQBHXWOUSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[N@H+](CCO)CCN1CC[NH+](CC)CC1 ZINC000344124568 135745091 /nfs/dbraw/zinc/74/50/91/135745091.db2.gz GJTLRWCJIPTMTP-UHFFFAOYSA-N 2 0 243.395 0.328 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N(C)C1CC([NH3+])C1 ZINC000334934333 135845196 /nfs/dbraw/zinc/84/51/96/135845196.db2.gz ZOGIIJHNPKUYMV-PMUOWJKOSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335147557 135913317 /nfs/dbraw/zinc/91/33/17/135913317.db2.gz KJRRPVRDHRZTGQ-CMPLNLGQSA-N 2 0 225.336 0.183 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000335183218 135965685 /nfs/dbraw/zinc/96/56/85/135965685.db2.gz DFXIFKRMUGCTDY-QWRGUYRKSA-N 2 0 237.347 0.326 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000347633953 135993307 /nfs/dbraw/zinc/99/33/07/135993307.db2.gz UCMSQNKMLUDLKM-RCWTZXSCSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C1([NH3+])CCCC1 ZINC000335290623 135998182 /nfs/dbraw/zinc/99/81/82/135998182.db2.gz KUWNCVJGSOHZTO-VHSXEESVSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000335306107 136020629 /nfs/dbraw/zinc/02/06/29/136020629.db2.gz XJVLZSSJTJWORO-ZYHUDNBSSA-N 3 0 211.353 0.655 20 0 BCADRP C[C@H]([NH3+])CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000335308989 136028093 /nfs/dbraw/zinc/02/80/93/136028093.db2.gz RXHOMTNLHPLAMM-JQWIXIFHSA-N 2 0 211.353 0.798 20 0 BCADRP COC[C@H](O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000348127395 136033099 /nfs/dbraw/zinc/03/30/99/136033099.db2.gz ROTITAOWESLKEQ-CYBMUJFWSA-N 2 0 244.379 0.798 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C1([NH3+])CCCC1 ZINC000335327682 136052521 /nfs/dbraw/zinc/05/25/21/136052521.db2.gz JRPDIKWXGBPFNA-VHSXEESVSA-N 2 0 225.336 0.454 20 0 BCADRP COCC[NH+]1CCC(N[C@@H](C)C[NH+](C)C)CC1 ZINC000348298568 136063366 /nfs/dbraw/zinc/06/33/66/136063366.db2.gz DETDAALJYXSCAE-LBPRGKRZSA-N 2 0 243.395 0.637 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH3+])C2)CC[NH2+]1 ZINC000335347133 136067131 /nfs/dbraw/zinc/06/71/31/136067131.db2.gz SFEHOCCQIBJPKD-SAAXCQNUSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H](NC(=O)c1ccc2c(c1)C[NH2+]C2)[C@H](C)[NH3+] ZINC000335357508 136074697 /nfs/dbraw/zinc/07/46/97/136074697.db2.gz BSVOLEXWTLMQDX-DTWKUNHWSA-N 2 0 233.315 0.755 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC(C)(C)[NH3+] ZINC000335358560 136074808 /nfs/dbraw/zinc/07/48/08/136074808.db2.gz LUAKFZFGUAKVTJ-VHSXEESVSA-N 2 0 242.367 0.635 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)NCC(C)(C)[NH3+])[C@H]1C ZINC000335361645 136081050 /nfs/dbraw/zinc/08/10/50/136081050.db2.gz UCDWFLLPGSWDLW-BDAKNGLRSA-N 2 0 228.340 0.116 20 0 BCADRP [NH3+]C1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000335382678 136087743 /nfs/dbraw/zinc/08/77/43/136087743.db2.gz ZVAHIUJGTJKMQQ-CMPLNLGQSA-N 2 0 239.363 0.844 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000335382285 136087876 /nfs/dbraw/zinc/08/78/76/136087876.db2.gz XKEAQAUTAUIYAS-GFCCVEGCSA-N 2 0 239.363 0.811 20 0 BCADRP [NH3+]C1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000335382680 136087913 /nfs/dbraw/zinc/08/79/13/136087913.db2.gz ZVAHIUJGTJKMQQ-PWSUYJOCSA-N 2 0 239.363 0.844 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000335390540 136090776 /nfs/dbraw/zinc/09/07/76/136090776.db2.gz PMNYNSJBEIBSLH-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP CN(C)C(=O)CC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335394224 136091692 /nfs/dbraw/zinc/09/16/92/136091692.db2.gz FAZHPVUXLWIRNX-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP C[NH2+]CC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000335396297 136092435 /nfs/dbraw/zinc/09/24/35/136092435.db2.gz OGKLFNNVKZFXBV-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000335396189 136092560 /nfs/dbraw/zinc/09/25/60/136092560.db2.gz RUENRNSKFULLEC-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000335397023 136093103 /nfs/dbraw/zinc/09/31/03/136093103.db2.gz RLSAPWGZWZDGCR-GXSJLCMTSA-N 2 0 237.278 0.038 20 0 BCADRP [NH3+]CC1(CC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000335397412 136093176 /nfs/dbraw/zinc/09/31/76/136093176.db2.gz WHWQJBBLANWZAB-ZDUSSCGKSA-N 2 0 237.347 0.327 20 0 BCADRP C[C@@H]1CCN(C(=O)C(C)(C)C[NH3+])C[C@H]1C[NH3+] ZINC000335596985 136104888 /nfs/dbraw/zinc/10/48/88/136104888.db2.gz FVDIHADDXCPRAF-NXEZZACHSA-N 2 0 227.352 0.415 20 0 BCADRP CC1(C)CN(C(=O)C[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000335596793 136105038 /nfs/dbraw/zinc/10/50/38/136105038.db2.gz BKGZAXDZJNMJJU-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)C[NH3+] ZINC000335562681 136106510 /nfs/dbraw/zinc/10/65/10/136106510.db2.gz KNFHWIPQDVFQMY-WDEREUQCSA-N 2 0 227.352 0.380 20 0 BCADRP C[C@@H]1CN(C(=O)CC2(C[NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC000335567487 136108468 /nfs/dbraw/zinc/10/84/68/136108468.db2.gz YGMBDWXQKDCAQO-NXEZZACHSA-N 2 0 225.336 0.324 20 0 BCADRP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCOC3)C2)C1 ZINC000335570785 136109280 /nfs/dbraw/zinc/10/92/80/136109280.db2.gz IFMVLEMKXORSFT-NWDGAFQWSA-N 2 0 210.321 0.803 20 0 BCADRP C[C@H]1CCNC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335570981 136109308 /nfs/dbraw/zinc/10/93/08/136109308.db2.gz WURPFRCLPMHICP-RYUDHWBXSA-N 2 0 225.380 0.964 20 0 BCADRP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCOC3)C2)C1 ZINC000335570784 136109317 /nfs/dbraw/zinc/10/93/17/136109317.db2.gz IFMVLEMKXORSFT-NEPJUHHUSA-N 2 0 210.321 0.803 20 0 BCADRP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCOC3)C2)C1 ZINC000335570786 136109526 /nfs/dbraw/zinc/10/95/26/136109526.db2.gz IFMVLEMKXORSFT-RYUDHWBXSA-N 2 0 210.321 0.803 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000335598459 136113820 /nfs/dbraw/zinc/11/38/20/136113820.db2.gz JAABLQIUJHWOBV-OLZOCXBDSA-N 2 0 245.326 0.579 20 0 BCADRP [NH3+]C[C@@H](NC[C@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000662276146 487528809 /nfs/dbraw/zinc/52/88/09/487528809.db2.gz FXCNYIUMQMSNCG-CHWSQXEVSA-N 2 0 241.379 0.472 20 0 BCADRP C[NH2+]CC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000165322787 397750883 /nfs/dbraw/zinc/75/08/83/397750883.db2.gz DEOYVNODXRSOBH-JTQLQIEISA-N 2 0 213.325 0.006 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)C[C@@H](C)[NH2+]1 ZINC000644087173 397754714 /nfs/dbraw/zinc/75/47/14/397754714.db2.gz HSQGSZIDNJAQPI-OPRDCNLKSA-N 2 0 225.336 0.193 20 0 BCADRP C[C@H]1CN(C(=O)c2ccnc(C[NH3+])c2)C[C@H](C)[NH2+]1 ZINC000644087199 397754723 /nfs/dbraw/zinc/75/47/23/397754723.db2.gz WGOKEUIFCBIVFF-UWVGGRQHSA-N 2 0 248.330 0.363 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1CC1(C[NH3+])CC1 ZINC000647540271 397782552 /nfs/dbraw/zinc/78/25/52/397782552.db2.gz GHVNGCOOPQKCES-UWVGGRQHSA-N 2 0 215.316 0.357 20 0 BCADRP CC1([NH3+])CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000381713744 397805284 /nfs/dbraw/zinc/80/52/84/397805284.db2.gz KRZXGTORCSDKRR-NSHDSACASA-N 2 0 211.353 0.799 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000257708816 397827410 /nfs/dbraw/zinc/82/74/10/397827410.db2.gz QFIMTYAEKMKSFF-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000647891439 397934809 /nfs/dbraw/zinc/93/48/09/397934809.db2.gz BQECYHAOVRSZFM-AVGNSLFASA-N 2 0 240.347 0.476 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000054337790 397947145 /nfs/dbraw/zinc/94/71/45/397947145.db2.gz NUCLXOJFYOWWGA-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP C[C@]1(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CCC[NH2+]C1 ZINC000446360056 397947516 /nfs/dbraw/zinc/94/75/16/397947516.db2.gz OIHBPECQXZLMPS-UMNHJUIQSA-N 2 0 243.326 0.192 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000446361409 397947697 /nfs/dbraw/zinc/94/76/97/397947697.db2.gz BPYITOFTNAUMRN-TXEJJXNPSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000446361268 397947717 /nfs/dbraw/zinc/94/77/17/397947717.db2.gz ZQPMXXPMAKTRNR-GXSJLCMTSA-N 2 0 243.326 0.239 20 0 BCADRP C[NH+](C)CC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000446470568 397948383 /nfs/dbraw/zinc/94/83/83/397948383.db2.gz DRONDORROGGOGB-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000449554864 397954947 /nfs/dbraw/zinc/95/49/47/397954947.db2.gz FESRBPPVIPNJQG-SCVCMEIPSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCCC[NH+](C)C ZINC000037480093 397961655 /nfs/dbraw/zinc/96/16/55/397961655.db2.gz CCSHKSWDTJGSBT-UHFFFAOYSA-N 2 0 215.341 0.442 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000418202183 397991893 /nfs/dbraw/zinc/99/18/93/397991893.db2.gz IQXFQWRIVDZFDN-QWRGUYRKSA-N 2 0 242.367 0.330 20 0 BCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H]([NH3+])C1 ZINC000418201694 397992042 /nfs/dbraw/zinc/99/20/42/397992042.db2.gz SEYKXMLGOPPCEY-QWRGUYRKSA-N 2 0 242.367 0.458 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@H]1CCCCC[NH2+]1)C1CC1 ZINC000372503940 398004766 /nfs/dbraw/zinc/00/47/66/398004766.db2.gz LFBIPUOUEJZZHV-MNOVXSKESA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953161 398009554 /nfs/dbraw/zinc/00/95/54/398009554.db2.gz FVGXRAPNDJIGBH-CMPLNLGQSA-N 2 0 239.363 0.714 20 0 BCADRP CN(C(=O)CCCC[NH3+])[C@H]1C[NH+]2CCC1CC2 ZINC000383861229 398047235 /nfs/dbraw/zinc/04/72/35/398047235.db2.gz YXHSJPGYZNQPID-LBPRGKRZSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@@H](C(=O)N(C1CC1)C1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000375438025 398023732 /nfs/dbraw/zinc/02/37/32/398023732.db2.gz PQERXPHAHPYBKK-ZJUUUORDSA-N 2 0 239.363 0.713 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)CCC1C[NH2+]C1 ZINC000637863510 398032272 /nfs/dbraw/zinc/03/22/72/398032272.db2.gz ZQPQXNWSTVJBQD-UHFFFAOYSA-N 2 0 227.352 0.429 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000637863274 398032344 /nfs/dbraw/zinc/03/23/44/398032344.db2.gz WTVXNZNRGMCOAE-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000637863275 398032457 /nfs/dbraw/zinc/03/24/57/398032457.db2.gz WTVXNZNRGMCOAE-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H](C(=O)NC(C)(C)C)N(C)C[C@H]1CC[NH2+]C1 ZINC000382754211 397971697 /nfs/dbraw/zinc/97/16/97/397971697.db2.gz KNVDWUFWYFELJJ-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC1CC1 ZINC000393048296 398061927 /nfs/dbraw/zinc/06/19/27/398061927.db2.gz DKQYSSFWYWMANP-NEPJUHHUSA-N 2 0 239.363 0.620 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000384071701 398064917 /nfs/dbraw/zinc/06/49/17/398064917.db2.gz VKNDFBBUWWRYIL-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638048389 398066607 /nfs/dbraw/zinc/06/66/07/398066607.db2.gz OHDJBSMMFTUSOS-LLVKDONJSA-N 2 0 239.363 0.738 20 0 BCADRP C[NH2+]CCC[NH2+]C1CCC(C(=O)OC)CC1 ZINC000414863001 398068497 /nfs/dbraw/zinc/06/84/97/398068497.db2.gz WOLSIOFHRQIPAR-UHFFFAOYSA-N 2 0 228.336 0.917 20 0 BCADRP C[NH+](C)C/C=C\C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000491852839 398075422 /nfs/dbraw/zinc/07/54/22/398075422.db2.gz UJWYFCIZTABJLK-ISALQUGTSA-N 2 0 225.336 0.267 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000646703594 398084751 /nfs/dbraw/zinc/08/47/51/398084751.db2.gz QPWHTGBBKNVUBB-WDEREUQCSA-N 2 0 227.352 0.476 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418433944 398088877 /nfs/dbraw/zinc/08/88/77/398088877.db2.gz DKQFKXGGHWOIPS-MYJAWHEDSA-N 2 0 240.351 0.021 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CNCC[C@@H]2C)CC[NH2+]1 ZINC000414923819 398099958 /nfs/dbraw/zinc/09/99/58/398099958.db2.gz IBYRHEADMFEGAQ-UMSGYPCISA-N 2 0 225.380 0.962 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CNCC[C@H]2C)CC[NH2+]1 ZINC000414923817 398100018 /nfs/dbraw/zinc/10/00/18/398100018.db2.gz IBYRHEADMFEGAQ-LPWJVIDDSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000309295375 398119135 /nfs/dbraw/zinc/11/91/35/398119135.db2.gz WYKHOPFGQNAUQQ-ONGXEEELSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638507911 398109434 /nfs/dbraw/zinc/10/94/34/398109434.db2.gz JJQLWBBYTVTYIS-HBNTYKKESA-N 2 0 237.347 0.385 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638507910 398109494 /nfs/dbraw/zinc/10/94/94/398109494.db2.gz JJQLWBBYTVTYIS-GARJFASQSA-N 2 0 237.347 0.385 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638507919 398109603 /nfs/dbraw/zinc/10/96/03/398109603.db2.gz JMBLKKGGDZXIHA-UWVGGRQHSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000237644320 398112873 /nfs/dbraw/zinc/11/28/73/398112873.db2.gz DESBPHOSRAHWLM-JTQLQIEISA-N 2 0 233.315 0.579 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC[NH2+]C1 ZINC000365326101 398124213 /nfs/dbraw/zinc/12/42/13/398124213.db2.gz LWXOXOVJLZPUKR-GVXVVHGQSA-N 2 0 239.363 0.490 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000334953653 398121998 /nfs/dbraw/zinc/12/19/98/398121998.db2.gz SNSRZQIKVRHTDA-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)[NH3+])CC2 ZINC000236813506 167035100 /nfs/dbraw/zinc/03/51/00/167035100.db2.gz NKUZSVLYKJCLPC-TUAOUCFPSA-N 2 0 239.363 0.807 20 0 BCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228476931 167054019 /nfs/dbraw/zinc/05/40/19/167054019.db2.gz AQOYOJAOCNYVEN-QJPTWQEYSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C[NH3+])C(C)C ZINC000309514692 173364090 /nfs/dbraw/zinc/36/40/90/173364090.db2.gz YHJGSSZMBLBYCV-ZJUUUORDSA-N 2 0 215.341 0.189 20 0 BCADRP COC[C@H](C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)OC ZINC000662275922 487528953 /nfs/dbraw/zinc/52/89/53/487528953.db2.gz FPBUJNBHJOQGSR-STQMWFEESA-N 2 0 242.363 0.723 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000086853328 487566735 /nfs/dbraw/zinc/56/67/35/487566735.db2.gz WJQNFPYQBHHQDK-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP O=C(CC1CC[NH2+]CC1)NC[C@@H]1CCCC[NH2+]1 ZINC000238139597 487568200 /nfs/dbraw/zinc/56/82/00/487568200.db2.gz CRWSACVGMCVQHQ-LBPRGKRZSA-N 2 0 239.363 0.634 20 0 BCADRP O=C(CC1CC[NH2+]CC1)NC[C@H]1CCCC[NH2+]1 ZINC000238140094 487568471 /nfs/dbraw/zinc/56/84/71/487568471.db2.gz CRWSACVGMCVQHQ-GFCCVEGCSA-N 2 0 239.363 0.634 20 0 BCADRP C[NH+](C)C[C@@](C)(O)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000227931386 487569486 /nfs/dbraw/zinc/56/94/86/487569486.db2.gz IEAMWGJAEZHTSG-AAEUAGOBSA-N 2 0 244.379 0.846 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000249151804 487572908 /nfs/dbraw/zinc/57/29/08/487572908.db2.gz USURGALLSGKDOI-VLEAKVRGSA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000157727018 487578504 /nfs/dbraw/zinc/57/85/04/487578504.db2.gz IEVOZWRWVGXTGM-MNOVXSKESA-N 2 0 237.347 0.611 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NCC(C)(C)[NH3+])C1 ZINC000082244830 487582113 /nfs/dbraw/zinc/58/21/13/487582113.db2.gz CVCWMEVNVGPPSF-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)NCC[NH3+])cc1 ZINC000228072511 487583238 /nfs/dbraw/zinc/58/32/38/487583238.db2.gz OMDPTVCSFQOUNZ-SNVBAGLBSA-N 2 0 207.277 0.070 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CCOC1 ZINC000393850317 487586725 /nfs/dbraw/zinc/58/67/25/487586725.db2.gz QYCQDJVJRQWUFC-OLZOCXBDSA-N 2 0 244.379 0.656 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000565539950 322916054 /nfs/dbraw/zinc/91/60/54/322916054.db2.gz RWWVGVVQIZCLHO-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000662401832 487599712 /nfs/dbraw/zinc/59/97/12/487599712.db2.gz BZCINVYSMGUVJE-OUAUKWLOSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000662414307 487603229 /nfs/dbraw/zinc/60/32/29/487603229.db2.gz QBVXVMICLANTPQ-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000674690143 487606092 /nfs/dbraw/zinc/60/60/92/487606092.db2.gz UZLRFSMLJGRFLJ-OUAUKWLOSA-N 2 0 239.363 0.678 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000662263836 409559753 /nfs/dbraw/zinc/55/97/53/409559753.db2.gz OUBKGUCVFQWMBJ-STQMWFEESA-N 2 0 241.379 0.248 20 0 BCADRP Cn1cncc1CCC[NH2+]CC1([NH3+])CCC1 ZINC000662266273 409563415 /nfs/dbraw/zinc/56/34/15/409563415.db2.gz LBTVKYSJCVLYJQ-UHFFFAOYSA-N 2 0 222.336 0.824 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662266324 409563627 /nfs/dbraw/zinc/56/36/27/409563627.db2.gz LZKVBSZIELGXRV-SRVKXCTJSA-N 3 0 239.363 0.177 20 0 BCADRP C[NH2+]CCC1CC[NH+](C[C@H](COC)OC)CC1 ZINC000662266040 409564508 /nfs/dbraw/zinc/56/45/08/409564508.db2.gz VXKXUVGNGCJSPX-CYBMUJFWSA-N 2 0 244.379 0.969 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC[C@H]1[NH3+] ZINC000662243796 409531853 /nfs/dbraw/zinc/53/18/53/409531853.db2.gz KGKNFTAOHXSOAC-GRYCIOLGSA-N 3 0 239.363 0.177 20 0 BCADRP Cc1cc(CN2CC[C@H]([NH3+])[C@H](C)C2)ncn1 ZINC000662243207 409534050 /nfs/dbraw/zinc/53/40/50/409534050.db2.gz GQYLULQXQOTHBN-SKDRFNHKSA-N 2 0 220.320 0.954 20 0 BCADRP CCC1(CNC(=O)[C@H](N)CC[NH+](C)C)CCC1 ZINC000653089712 409623227 /nfs/dbraw/zinc/62/32/27/409623227.db2.gz RKBUGAVBNZPHDO-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@@H]1CN(C[C@H]2C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000662270759 409572770 /nfs/dbraw/zinc/57/27/70/409572770.db2.gz MWJJVOMOZOFUFA-IJLUTSLNSA-N 2 0 227.352 0.034 20 0 BCADRP COC[C@H](C[NH+]1CCC2(CC[NH2+]C2)CC1)OC ZINC000662272911 409580837 /nfs/dbraw/zinc/58/08/37/409580837.db2.gz IIEGRBZLZYOPAC-LBPRGKRZSA-N 2 0 242.363 0.723 20 0 BCADRP C[C@@H]1[C@H](C)OCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662276409 409591667 /nfs/dbraw/zinc/59/16/67/409591667.db2.gz IKPNATXARAVSBI-WOPDTQHZSA-N 2 0 240.347 0.617 20 0 BCADRP CN1CCC[C@@H]([NH+]2CCC(CC[NH3+])CC2)C1=O ZINC000662284809 409614775 /nfs/dbraw/zinc/61/47/75/409614775.db2.gz PODASUQHRXKEGH-GFCCVEGCSA-N 2 0 239.363 0.668 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000662404959 409699215 /nfs/dbraw/zinc/69/92/15/409699215.db2.gz SVHAWFOBQOVPGC-NSHDSACASA-N 2 0 245.326 0.506 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000662404848 409699802 /nfs/dbraw/zinc/69/98/02/409699802.db2.gz ISQBYBNEYZNUPD-GHMZBOCLSA-N 2 0 239.363 0.490 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000662404849 409699833 /nfs/dbraw/zinc/69/98/33/409699833.db2.gz ISQBYBNEYZNUPD-MNOVXSKESA-N 2 0 239.363 0.490 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000662420565 409704479 /nfs/dbraw/zinc/70/44/79/409704479.db2.gz AWICPGRALJMCJW-OUAUKWLOSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCC2(C)C)CC[NH2+]1 ZINC000662416823 409705006 /nfs/dbraw/zinc/70/50/06/409705006.db2.gz BSIIILDISPDYFS-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662423880 409708466 /nfs/dbraw/zinc/70/84/66/409708466.db2.gz OXOGMZUIBLTNFL-NSHDSACASA-N 2 0 239.363 0.761 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000662479423 409729999 /nfs/dbraw/zinc/72/99/99/409729999.db2.gz IEOOEFPJFPCPPV-UWVGGRQHSA-N 2 0 215.341 0.441 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000662515531 409743966 /nfs/dbraw/zinc/74/39/66/409743966.db2.gz VUFJITSQAUBIQQ-AXFHLTTASA-N 2 0 225.336 0.147 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662537558 409748784 /nfs/dbraw/zinc/74/87/84/409748784.db2.gz CFVSNJIMLBDUCI-NEPJUHHUSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000662549853 409752059 /nfs/dbraw/zinc/75/20/59/409752059.db2.gz WUONYQNYCHSQFM-AEJSXWLSSA-N 2 0 213.325 0.180 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662602755 409775889 /nfs/dbraw/zinc/77/58/89/409775889.db2.gz QCXPCRYUNKCZST-QWRGUYRKSA-N 2 0 239.363 0.713 20 0 BCADRP Cc1nccn1CCN1CCO[C@H]([C@@H](C)O)C1 ZINC000660809896 409778689 /nfs/dbraw/zinc/77/86/89/409778689.db2.gz AIGRSHUAQCHGBQ-PWSUYJOCSA-N 2 0 239.319 0.273 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653135661 409854869 /nfs/dbraw/zinc/85/48/69/409854869.db2.gz LJORTDUHFWUBBI-TUAOUCFPSA-N 2 0 239.363 0.633 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662681591 409829344 /nfs/dbraw/zinc/82/93/44/409829344.db2.gz JFYVBDUTSQDVHI-DCAQKATOSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653115776 409830646 /nfs/dbraw/zinc/83/06/46/409830646.db2.gz ZNEOFFGQVPGGOX-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653136425 409856618 /nfs/dbraw/zinc/85/66/18/409856618.db2.gz OUCZAIUDGUVCAS-JLLWLGSASA-N 2 0 239.363 0.631 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653126659 409836189 /nfs/dbraw/zinc/83/61/89/409836189.db2.gz BITNVVSKFWVLGN-RYUDHWBXSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](C)C[NH3+] ZINC000662692720 409841070 /nfs/dbraw/zinc/84/10/70/409841070.db2.gz FYPHDAUGKJLJDN-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653128751 409842876 /nfs/dbraw/zinc/84/28/76/409842876.db2.gz WWVAPZILKLVYKJ-DVVUODLYSA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H]2CCC[NH2+]CC2)CCC1 ZINC000653129245 409844338 /nfs/dbraw/zinc/84/43/38/409844338.db2.gz FHHRTLWONHOJTD-JTQLQIEISA-N 2 0 225.336 0.374 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653131296 409847750 /nfs/dbraw/zinc/84/77/50/409847750.db2.gz DUWNWDHBEKWYJG-UTUOFQBUSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653134966 409853327 /nfs/dbraw/zinc/85/33/27/409853327.db2.gz OCKWLLRYHUPINM-WRWGMCAJSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]([NH3+])CNC(=O)c1ccccc1CC[NH3+] ZINC000653136169 409853403 /nfs/dbraw/zinc/85/34/03/409853403.db2.gz DCXDGEDJKMJELE-VIFPVBQESA-N 2 0 221.304 0.265 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662623441 409793988 /nfs/dbraw/zinc/79/39/88/409793988.db2.gz XWPWGSRFFRJJLX-LLVKDONJSA-N 2 0 241.379 0.975 20 0 BCADRP O=C(NCC[NH+]1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000653105786 409797875 /nfs/dbraw/zinc/79/78/75/409797875.db2.gz JPOVTQYTXBVUGK-LBPRGKRZSA-N 2 0 239.363 0.588 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000662656129 409818116 /nfs/dbraw/zinc/81/81/16/409818116.db2.gz UZLLQFQTGNQYDC-LLVKDONJSA-N 2 0 227.352 0.892 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000662781099 409905421 /nfs/dbraw/zinc/90/54/21/409905421.db2.gz WIPRAFTYPIRDIH-UWVGGRQHSA-N 2 0 223.320 0.078 20 0 BCADRP CC[N@H+](CCOCC[NH3+])C[C@H]1CCOC1 ZINC000308805246 409906094 /nfs/dbraw/zinc/90/60/94/409906094.db2.gz OIRONVBRAKKSRK-LLVKDONJSA-N 2 0 216.325 0.320 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@@H](C)[NH3+] ZINC000308814465 409908341 /nfs/dbraw/zinc/90/83/41/409908341.db2.gz DQBXKJINWFNGDJ-PSASIEDQSA-N 2 0 201.314 0.213 20 0 BCADRP CC[C@@]1(C(=O)N[C@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000215297961 409908533 /nfs/dbraw/zinc/90/85/33/409908533.db2.gz UDJJRWIBLOXJGR-AAEUAGOBSA-N 2 0 239.363 0.729 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000662785786 409918481 /nfs/dbraw/zinc/91/84/81/409918481.db2.gz ZZYCCKIRFITDJQ-RKDXNWHRSA-N 2 0 213.325 0.241 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000662785778 409918619 /nfs/dbraw/zinc/91/86/19/409918619.db2.gz ZZYCCKIRFITDJQ-DTWKUNHWSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653144521 409867565 /nfs/dbraw/zinc/86/75/65/409867565.db2.gz XLSLYADHEAUCSQ-GARJFASQSA-N 2 0 227.352 0.748 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653147554 409871959 /nfs/dbraw/zinc/87/19/59/409871959.db2.gz PMFWZDWXICZYRS-WDEREUQCSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662793281 409926112 /nfs/dbraw/zinc/92/61/12/409926112.db2.gz JQMZWHNVNMDBMW-IJLUTSLNSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000662730481 409874479 /nfs/dbraw/zinc/87/44/79/409874479.db2.gz GNDIDNXRHVEFET-ZYHUDNBSSA-N 2 0 227.352 0.476 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662730785 409876096 /nfs/dbraw/zinc/87/60/96/409876096.db2.gz PLJZGOVPMJNANY-QJPTWQEYSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662733568 409877827 /nfs/dbraw/zinc/87/78/27/409877827.db2.gz UBWWBHYLRIATSO-MNOVXSKESA-N 2 0 245.367 0.228 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)CC2([NH3+])CC2)CC[NH2+]1 ZINC000662773677 409893025 /nfs/dbraw/zinc/89/30/25/409893025.db2.gz JFBBLLRMFHCMBC-IUCAKERBSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]1[NH2+]CCC1(C)C)[NH+](C)C ZINC000662860182 409957599 /nfs/dbraw/zinc/95/75/99/409957599.db2.gz RENWZXPHHKBZCU-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H](CCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)[NH+](C)C ZINC000662859122 409957812 /nfs/dbraw/zinc/95/78/12/409957812.db2.gz KCRSXNATCXDHRP-GRYCIOLGSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)C[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000055079559 409958124 /nfs/dbraw/zinc/95/81/24/409958124.db2.gz BYDBJBQKGZSOEL-CYBMUJFWSA-N 2 0 225.380 0.870 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)CC[NH2+]C(C)C ZINC000662954202 409988475 /nfs/dbraw/zinc/98/84/75/409988475.db2.gz SWJAXJDKRPNOFY-VIFPVBQESA-N 2 0 201.314 0.099 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]([NH3+])C(C)C ZINC000308885887 409934937 /nfs/dbraw/zinc/93/49/37/409934937.db2.gz VVRCORCGOJFGAP-SECBINFHSA-N 2 0 201.314 0.086 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662835018 409945480 /nfs/dbraw/zinc/94/54/80/409945480.db2.gz KAYXFYLKSYZDIH-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662835016 409947201 /nfs/dbraw/zinc/94/72/01/409947201.db2.gz KAYXFYLKSYZDIH-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662839429 409948606 /nfs/dbraw/zinc/94/86/06/409948606.db2.gz QPRWLDURWSQYMO-IJLUTSLNSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000662844946 409949645 /nfs/dbraw/zinc/94/96/45/409949645.db2.gz JAMPXYIWEZTVMO-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP CN(Cc1c[nH]cn1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000662839124 409949825 /nfs/dbraw/zinc/94/98/25/409949825.db2.gz NHPJQLMRKCFWTQ-GFCCVEGCSA-N 2 0 236.319 0.758 20 0 BCADRP C[C@@]1(NC(=O)[C@@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000663015734 410034600 /nfs/dbraw/zinc/03/46/00/410034600.db2.gz XQZUBQBOYOJFFC-ZYHUDNBSSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)N[C@H](C)C[NH2+]C ZINC000662969185 409998021 /nfs/dbraw/zinc/99/80/21/409998021.db2.gz YGVAECMUTDYESM-LLVKDONJSA-N 2 0 249.358 0.786 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662969356 409998865 /nfs/dbraw/zinc/99/88/65/409998865.db2.gz LXFQDDSUUNLZTQ-IUCAKERBSA-N 2 0 213.325 0.099 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662968194 409999349 /nfs/dbraw/zinc/99/93/49/409999349.db2.gz GOCMIKOIHRTRKI-JMJZKYOTSA-N 2 0 225.336 0.241 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000429616978 487612666 /nfs/dbraw/zinc/61/26/66/487612666.db2.gz SPDQQNHQZSHMJW-MXWKQRLJSA-N 2 0 227.352 0.748 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCCC[N@H+](C)CC(C)C ZINC000653176265 410151504 /nfs/dbraw/zinc/15/15/04/410151504.db2.gz OFJPOWDJAHSGJI-LLVKDONJSA-N 2 0 229.368 0.818 20 0 BCADRP O=C(NCCC[NH2+]C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000653167891 410135765 /nfs/dbraw/zinc/13/57/65/410135765.db2.gz IDRDHPAKERHZMQ-NSHDSACASA-N 2 0 239.363 0.634 20 0 BCADRP C[NH2+][C@@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000655410964 410213015 /nfs/dbraw/zinc/21/30/15/410213015.db2.gz LGGQXVRDQLVPIH-QMMMGPOBSA-N 2 0 207.277 0.692 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655412190 410215187 /nfs/dbraw/zinc/21/51/87/410215187.db2.gz NQHDWLPMCDZLTC-NTZNESFSSA-N 2 0 237.347 0.244 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)C1 ZINC000655411850 410216416 /nfs/dbraw/zinc/21/64/16/410216416.db2.gz YLKMOCYQIHJLKQ-MDZLAQPJSA-N 2 0 237.347 0.326 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)[C@H](C)[NH3+] ZINC000653194033 410160409 /nfs/dbraw/zinc/16/04/09/410160409.db2.gz RVBWBVWLQHDFBJ-BLFANLJRSA-N 2 0 239.363 0.557 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653194036 410160591 /nfs/dbraw/zinc/16/05/91/410160591.db2.gz RVBWBVWLQHDFBJ-ZPFDUUQYSA-N 2 0 239.363 0.557 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653197657 410160656 /nfs/dbraw/zinc/16/06/56/410160656.db2.gz MCTWERGLUKVMEL-GWCFXTLKSA-N 2 0 239.363 0.559 20 0 BCADRP C[C@@H](C(=O)NCCC1(C[NH3+])CC1)[NH+](C)C ZINC000653221088 410168508 /nfs/dbraw/zinc/16/85/08/410168508.db2.gz HJUDIQCRUQDLRZ-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP C[C@]1(C(=O)NCCC2(C[NH3+])CC2)CCC[NH2+]C1 ZINC000653221203 410168776 /nfs/dbraw/zinc/16/87/76/410168776.db2.gz MQHGSGVGHZUPCV-LBPRGKRZSA-N 2 0 239.363 0.621 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653221276 410169169 /nfs/dbraw/zinc/16/91/69/410169169.db2.gz PPOYBAQEHONOHK-NXEZZACHSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+]CC1(CCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000653221048 410169799 /nfs/dbraw/zinc/16/97/99/410169799.db2.gz FOWHYNKOFHNUOS-GWCFXTLKSA-N 2 0 237.347 0.231 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCC1(C[NH3+])CC1 ZINC000653221176 410169928 /nfs/dbraw/zinc/16/99/28/410169928.db2.gz LBGGMZVGFOITFA-RKDXNWHRSA-N 2 0 213.325 0.215 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)[C@H]2CC[NH2+]2)c(F)c1 ZINC000653223199 410171133 /nfs/dbraw/zinc/17/11/33/410171133.db2.gz DZFMMJSQCUQEDG-LLVKDONJSA-N 2 0 237.278 0.263 20 0 BCADRP [NH3+]Cc1cc(C(=O)NCCC2(C[NH3+])CC2)ccn1 ZINC000653221322 410171434 /nfs/dbraw/zinc/17/14/34/410171434.db2.gz RHOXWBYHAHOKKK-UHFFFAOYSA-N 2 0 248.330 0.399 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCCC1(C[NH3+])CC1 ZINC000653221343 410171448 /nfs/dbraw/zinc/17/14/48/410171448.db2.gz SFUDJNANEVNFCV-SECBINFHSA-N 2 0 213.325 0.359 20 0 BCADRP C[C@@H]1CCCN(C(=O)CC[NH3+])[C@@H]1CC[NH3+] ZINC000653233407 410175331 /nfs/dbraw/zinc/17/53/31/410175331.db2.gz WNKSUNXZLQLDQW-NXEZZACHSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000653239982 410181319 /nfs/dbraw/zinc/18/13/19/410181319.db2.gz IFCPNPUHGLQACH-AXFHLTTASA-N 2 0 227.352 0.557 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000653240097 410181680 /nfs/dbraw/zinc/18/16/80/410181680.db2.gz JWCVZVQRSFTVBU-MXWKQRLJSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[NH2+]C2CC2)[C@H]1CC[NH3+] ZINC000653239808 410181870 /nfs/dbraw/zinc/18/18/70/410181870.db2.gz FQEFGTVOLYQRKT-PWSUYJOCSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000309017881 410198214 /nfs/dbraw/zinc/19/82/14/410198214.db2.gz VJAVVZXZYAEOLM-BDAKNGLRSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC[NH2+]C(C)(C)C ZINC000309094984 410243390 /nfs/dbraw/zinc/24/33/90/410243390.db2.gz CKLMYSJOGJAURD-MRVPVSSYSA-N 2 0 201.314 0.228 20 0 BCADRP CC[NH2+]CCCNC(=O)CC(C)(C)[NH3+] ZINC000309097411 410243976 /nfs/dbraw/zinc/24/39/76/410243976.db2.gz DKSJGNYEOJQQDD-UHFFFAOYSA-N 2 0 201.314 0.230 20 0 BCADRP CC[C@@H]([NH3+])CNCc1nc2c(s1)C[NH2+]CC2 ZINC000663498744 410275855 /nfs/dbraw/zinc/27/58/55/410275855.db2.gz TVQCHPWNWAYMNM-MRVPVSSYSA-N 2 0 240.376 0.616 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655415284 410220481 /nfs/dbraw/zinc/22/04/81/410220481.db2.gz ACNSYCNMDBRVMJ-LOWVWBTDSA-N 2 0 237.347 0.244 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655416647 410220783 /nfs/dbraw/zinc/22/07/83/410220783.db2.gz ZSQZBGPMLCUJFG-CMPLNLGQSA-N 2 0 225.336 0.102 20 0 BCADRP O=C(NCC[NH2+]C1CC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655416377 410222515 /nfs/dbraw/zinc/22/25/15/410222515.db2.gz RGOCZUHDUNVZOP-WCQYABFASA-N 2 0 237.347 0.244 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655416650 410222744 /nfs/dbraw/zinc/22/27/44/410222744.db2.gz ZSQZBGPMLCUJFG-PWSUYJOCSA-N 2 0 225.336 0.102 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655417358 410224657 /nfs/dbraw/zinc/22/46/57/410224657.db2.gz IGUOUNNZPCBQNJ-WZRBSPASSA-N 2 0 239.363 0.476 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655416845 410225549 /nfs/dbraw/zinc/22/55/49/410225549.db2.gz BSIUXVPFIDIHRN-ZYHUDNBSSA-N 2 0 225.336 0.183 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C[C@H]1CC[NH2+]C1 ZINC000127681523 410336645 /nfs/dbraw/zinc/33/66/45/410336645.db2.gz ZOUOLTJWDNACSA-GHMZBOCLSA-N 2 0 227.352 0.620 20 0 BCADRP Cc1cc(C[NH2+]CCC2(C[NH3+])CC2)nn1C ZINC000650713874 410344774 /nfs/dbraw/zinc/34/47/74/410344774.db2.gz HJBVFFPJRMRWLU-UHFFFAOYSA-N 2 0 222.336 0.947 20 0 BCADRP CCO[C@@H]1CN(Cc2n[nH]cc2C)C[C@H]1C[NH3+] ZINC000650714242 410348107 /nfs/dbraw/zinc/34/81/07/410348107.db2.gz WWFKPMCJITYPIL-ZYHUDNBSSA-N 2 0 238.335 0.514 20 0 BCADRP CCO[C@@H]1C[N@H+](C[C@H]2C[C@@H]2C)C[C@H]1C[NH3+] ZINC000650714654 410348703 /nfs/dbraw/zinc/34/87/03/410348703.db2.gz WTVMWMWIXYPZMX-IRCOFANPSA-N 2 0 212.337 0.938 20 0 BCADRP [NH3+]CCC[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650715170 410351016 /nfs/dbraw/zinc/35/10/16/410351016.db2.gz SJUBIRHHLFDMGP-NSHDSACASA-N 2 0 205.305 0.962 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000262680778 410289331 /nfs/dbraw/zinc/28/93/31/410289331.db2.gz WWWRYYREMVSOPO-RYUDHWBXSA-N 2 0 239.363 0.396 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655453405 410297475 /nfs/dbraw/zinc/29/74/75/410297475.db2.gz JMRPYTIFPQTXMK-GXTWGEPZSA-N 2 0 249.358 0.412 20 0 BCADRP CC(C)([NH3+])CC(=O)NCCC1CC[NH2+]CC1 ZINC000653266891 410308688 /nfs/dbraw/zinc/30/86/88/410308688.db2.gz HCRZGUAIGVPEJP-UHFFFAOYSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCCC1CC[NH2+]CC1 ZINC000653266796 410308750 /nfs/dbraw/zinc/30/87/50/410308750.db2.gz FSMHOLKYVONEKM-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H]1C[C@H](C[N@@H+]2CCC[C@@H](O)C2)CC[NH2+]1 ZINC000650724833 410359581 /nfs/dbraw/zinc/35/95/81/410359581.db2.gz NDDPGACTUJRPSF-QJPTWQEYSA-N 2 0 212.337 0.831 20 0 BCADRP C[NH2+]Cc1ccccc1CN[C@H]1CC[NH2+]C1 ZINC000650720680 410359751 /nfs/dbraw/zinc/35/97/51/410359751.db2.gz YINMDSVNHZIONX-ZDUSSCGKSA-N 3 0 219.332 0.858 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000650743043 410376902 /nfs/dbraw/zinc/37/69/02/410376902.db2.gz KZZUPXOPTCLTBO-YTWAJWBKSA-N 2 0 225.336 0.500 20 0 BCADRP CC[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000650743265 410380058 /nfs/dbraw/zinc/38/00/58/410380058.db2.gz PIDOLUJTPYWHNA-YTWAJWBKSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650745298 410382475 /nfs/dbraw/zinc/38/24/75/410382475.db2.gz DAJBEQIIALVSEO-WDEREUQCSA-N 2 0 211.353 0.655 20 0 BCADRP CC1(C)NC(=O)CC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650747681 410386854 /nfs/dbraw/zinc/38/68/54/410386854.db2.gz FPRMQXVULLXTCI-SNVBAGLBSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650748104 410387006 /nfs/dbraw/zinc/38/70/06/410387006.db2.gz MZVXVJNVJCDSPJ-WDEREUQCSA-N 3 0 211.353 0.832 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000130434744 410399164 /nfs/dbraw/zinc/39/91/64/410399164.db2.gz LRLSJUZKEPWLJN-NWDGAFQWSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H](NCc1ccc(C[NH3+])cc1F)C1C[NH2+]C1 ZINC000650755804 410399884 /nfs/dbraw/zinc/39/98/84/410399884.db2.gz NHQJFKSYRJTRMX-VIFPVBQESA-N 2 0 237.322 0.982 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000130363052 410400054 /nfs/dbraw/zinc/40/00/54/410400054.db2.gz RVSVTAQDUIDYCS-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761503 410409458 /nfs/dbraw/zinc/40/94/58/410409458.db2.gz ANTZBQLEXNSYCF-VXGBXAGGSA-N 3 0 211.353 0.846 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761500 410410168 /nfs/dbraw/zinc/41/01/68/410410168.db2.gz ANTZBQLEXNSYCF-NEPJUHHUSA-N 3 0 211.353 0.846 20 0 BCADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650764300 410414045 /nfs/dbraw/zinc/41/40/45/410414045.db2.gz VLDVBSSKJDTIRM-WCQYABFASA-N 2 0 225.380 0.916 20 0 BCADRP C[C@H](CNC(=O)NC[C@H](C)[NH3+])C[NH+]1CCCC1 ZINC000669395539 487617127 /nfs/dbraw/zinc/61/71/27/487617127.db2.gz RXGUBWMYTBVPGK-MNOVXSKESA-N 2 0 242.367 0.365 20 0 BCADRP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000655460152 410571114 /nfs/dbraw/zinc/57/11/14/410571114.db2.gz WMRPGBPAPZPYPO-OPDFLTKYSA-N 2 0 249.358 0.054 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCCC1CC[NH2+]CC1 ZINC000653272441 410540221 /nfs/dbraw/zinc/54/02/21/410540221.db2.gz NQAPEJXRGDOGJX-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCCCC1 ZINC000653274791 410554794 /nfs/dbraw/zinc/55/47/94/410554794.db2.gz OLHNJFPBAMQITM-LBPRGKRZSA-N 2 0 241.379 0.914 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCCCC1 ZINC000653274671 410555508 /nfs/dbraw/zinc/55/55/08/410555508.db2.gz MIUSAIZNNPYDEQ-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP C[NH2+]CCC(=O)N(C)CC[NH+]1CCCCC1 ZINC000653274945 410557471 /nfs/dbraw/zinc/55/74/71/410557471.db2.gz SGYUNLWAAVZNFT-UHFFFAOYSA-N 2 0 227.352 0.540 20 0 BCADRP CN(C(=O)[C@@H]1C[C@]12CCC[NH2+]C2)C1CC([NH3+])C1 ZINC000655465219 410662669 /nfs/dbraw/zinc/66/26/69/410662669.db2.gz CXHWMXFMUWASFX-GVAFYICXSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000309256856 410668554 /nfs/dbraw/zinc/66/85/54/410668554.db2.gz GRSAQAPQAGDQAG-ZJUUUORDSA-N 2 0 213.325 0.086 20 0 BCADRP [NH3+]C1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000309278541 410701196 /nfs/dbraw/zinc/70/11/96/410701196.db2.gz FCVIACMPHRJBKI-UHFFFAOYSA-N 2 0 211.309 0.208 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655479592 410714721 /nfs/dbraw/zinc/71/47/21/410714721.db2.gz FEEDGQZBQHPVFY-GXFFZTMASA-N 2 0 239.363 0.620 20 0 BCADRP CC[C@@H](O)C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665262141 410736417 /nfs/dbraw/zinc/73/64/17/410736417.db2.gz VDAWNOAPKRAMCT-YVECIDJPSA-N 2 0 242.363 0.504 20 0 BCADRP CC[C@H]1CN(C(=O)C2([NH3+])CC2)CC[C@@H]1[NH3+] ZINC000393734752 410756466 /nfs/dbraw/zinc/75/64/66/410756466.db2.gz ASOHOKQKTNGETF-IUCAKERBSA-N 2 0 211.309 0.064 20 0 BCADRP COC[C@H](C)CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000393747826 410756997 /nfs/dbraw/zinc/75/69/97/410756997.db2.gz OGTUBEIUCJMTIK-WOPDTQHZSA-N 2 0 212.337 0.953 20 0 BCADRP C[NH2+]CCCNC(=O)c1ccc(C[NH3+])o1 ZINC000393809623 410760399 /nfs/dbraw/zinc/76/03/99/410760399.db2.gz ZIRRSOQAVDLHRZ-UHFFFAOYSA-N 2 0 211.265 0.078 20 0 BCADRP CCC(C)(C)[NH+]1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000655493166 410816807 /nfs/dbraw/zinc/81/68/07/410816807.db2.gz DEBGJUVKQGMMQJ-JTQLQIEISA-N 2 0 227.352 0.666 20 0 BCADRP c1ncn(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000394303697 410784315 /nfs/dbraw/zinc/78/43/15/410784315.db2.gz SYHZHBFXJBEZMA-QWHCGFSZSA-N 2 0 249.362 0.885 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000309307556 410789788 /nfs/dbraw/zinc/78/97/88/410789788.db2.gz WCHGBKCVGCABEV-DTWKUNHWSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@H](CC(=O)NC[C@@H](C)[NH+](C)C)n1ccnc1 ZINC000651088927 410793306 /nfs/dbraw/zinc/79/33/06/410793306.db2.gz RTLLPTHYXAQVTR-GHMZBOCLSA-N 2 0 238.335 0.901 20 0 BCADRP CC[NH+](CC)CCCNC(=O)C(C)(C)C[NH3+] ZINC000044751116 169773334 /nfs/dbraw/zinc/77/33/34/169773334.db2.gz GCCUIMUXAPGMDD-UHFFFAOYSA-N 2 0 229.368 0.819 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000655489583 410797453 /nfs/dbraw/zinc/79/74/53/410797453.db2.gz VCKWAULPSAENCE-AOOOYVTPSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000665296009 410802049 /nfs/dbraw/zinc/80/20/49/410802049.db2.gz LOPVFVJKXHEIOW-SDDRHHMPSA-N 2 0 211.353 0.811 20 0 BCADRP CC[NH+](CC)CCCNC(=O)CC[C@@H](C)[NH3+] ZINC000069838849 169773796 /nfs/dbraw/zinc/77/37/96/169773796.db2.gz ZSGGHCVUEKIICI-LLVKDONJSA-N 2 0 229.368 0.962 20 0 BCADRP CC(C)NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000082475016 167052052 /nfs/dbraw/zinc/05/20/52/167052052.db2.gz XPIJFBWLNJRVDE-SNVBAGLBSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000052379264 167110385 /nfs/dbraw/zinc/11/03/85/167110385.db2.gz BPJSLEWKLRJRQA-GFCCVEGCSA-N 2 0 213.369 0.868 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000309252481 410911749 /nfs/dbraw/zinc/91/17/49/410911749.db2.gz FJSZASAGEGUWSQ-ONGXEEELSA-N 2 0 213.325 0.167 20 0 BCADRP CCC(C)(C)[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000655495425 410913497 /nfs/dbraw/zinc/91/34/97/410913497.db2.gz XXFQEUDCRFXMBA-UHFFFAOYSA-N 2 0 213.325 0.278 20 0 BCADRP CC(C)[C@@H](C(=O)NC1CCC([NH3+])CC1)[NH+](C)C ZINC000236710833 167341992 /nfs/dbraw/zinc/34/19/92/167341992.db2.gz UBWRVBVHRPGGKH-MCIGGMRASA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH+](C)C)[NH+](C)C ZINC000341255083 167342550 /nfs/dbraw/zinc/34/25/50/167342550.db2.gz GTPPDMSJMVXDFG-NEPJUHHUSA-N 2 0 243.395 0.887 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000236711468 167345158 /nfs/dbraw/zinc/34/51/58/167345158.db2.gz OCMQGSDZOOEWCP-QWRGUYRKSA-N 2 0 227.352 0.441 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000357385736 167394690 /nfs/dbraw/zinc/39/46/90/167394690.db2.gz XLMBPOAHNBQGFQ-NWDGAFQWSA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000037042434 167412756 /nfs/dbraw/zinc/41/27/56/167412756.db2.gz BNCWEOZEIKHRDA-GFCCVEGCSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[C@@H](C)[NH3+] ZINC000309261262 167417628 /nfs/dbraw/zinc/41/76/28/167417628.db2.gz IDQRIYBEFWBENY-ZJUUUORDSA-N 2 0 215.341 0.556 20 0 BCADRP C[C@@H]1CC[C@H](O)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000398951580 411000956 /nfs/dbraw/zinc/00/09/56/411000956.db2.gz DRIUKSLEHTWQRN-PWSUYJOCSA-N 2 0 212.337 0.831 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000353459226 167512081 /nfs/dbraw/zinc/51/20/81/167512081.db2.gz LLSRTEQVKNXECR-GMTAPVOTSA-N 2 0 227.352 0.332 20 0 BCADRP CCO[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000042425536 411007261 /nfs/dbraw/zinc/00/72/61/411007261.db2.gz UFEKXGIPCBOPQU-CYBMUJFWSA-N 2 0 241.379 0.393 20 0 BCADRP CC(C)[C@H](C(=O)NC1CCC([NH3+])CC1)[C@H](C)[NH3+] ZINC000399662561 411055864 /nfs/dbraw/zinc/05/58/64/411055864.db2.gz PUULNWYJTRDROG-XKGSQUFQSA-N 2 0 241.379 0.992 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](C)C1)[C@@H](C)[NH3+] ZINC000399692550 411059584 /nfs/dbraw/zinc/05/95/84/411059584.db2.gz YMKBNQUSGLNPRO-WOPDTQHZSA-N 2 0 241.379 0.816 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)CCC[NH2+]C)C1 ZINC000062972791 169797633 /nfs/dbraw/zinc/79/76/33/169797633.db2.gz SWCAMAILTRZNRD-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CC1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[NH2+]C1 ZINC000399190049 411023079 /nfs/dbraw/zinc/02/30/79/411023079.db2.gz YHHPDRHUHREULX-WDEREUQCSA-N 2 0 237.347 0.339 20 0 BCADRP CCn1cc(C[N@H+](C)CCOCC[NH3+])cn1 ZINC000301044071 411129656 /nfs/dbraw/zinc/12/96/56/411129656.db2.gz MCVOAABEWVXIOT-UHFFFAOYSA-N 2 0 226.324 0.310 20 0 BCADRP C[N@H+](CC(=O)NCC[NH3+])CC(C)(C)C ZINC000045068391 411143938 /nfs/dbraw/zinc/14/39/38/411143938.db2.gz MRGKYVQATUCXIC-UHFFFAOYSA-N 2 0 201.314 0.039 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C[C@@H]1CC[NH2+]C1 ZINC000108356788 411144315 /nfs/dbraw/zinc/14/43/15/411144315.db2.gz SGDYBGHUJMGPRA-NEPJUHHUSA-N 2 0 211.353 0.526 20 0 BCADRP C[C@H]([NH3+])CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000309501228 411154765 /nfs/dbraw/zinc/15/47/65/411154765.db2.gz UZBHAJVCKKQSDU-QJPTWQEYSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@H]([NH3+])CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000309501231 411154830 /nfs/dbraw/zinc/15/48/30/411154830.db2.gz UZBHAJVCKKQSDU-SRVKXCTJSA-N 2 0 211.353 0.798 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000651939392 411155355 /nfs/dbraw/zinc/15/53/55/411155355.db2.gz DRVICHOOIYLWGY-YFKTTZPYSA-N 2 0 237.347 0.467 20 0 BCADRP CC[NH2+]CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655962862 411164468 /nfs/dbraw/zinc/16/44/68/411164468.db2.gz SLXXFGKEGGAXCY-PHIMTYICSA-N 2 0 242.367 0.235 20 0 BCADRP C[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)[C@H]1C[NH3+] ZINC000309506071 411156303 /nfs/dbraw/zinc/15/63/03/411156303.db2.gz VWPCSNFVFMOQMU-UTUOFQBUSA-N 2 0 211.353 0.655 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000309511075 411157875 /nfs/dbraw/zinc/15/78/75/411157875.db2.gz XHZFLDKFGAJMMJ-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)CCCC[NH3+])C1 ZINC000069733718 411158165 /nfs/dbraw/zinc/15/81/65/411158165.db2.gz CJDCWEPOYNRMMX-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP CNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978304 411159801 /nfs/dbraw/zinc/15/98/01/411159801.db2.gz PRECWGIKYQKSBE-RYUDHWBXSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H](O)C[N@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000655949089 411161261 /nfs/dbraw/zinc/16/12/61/411161261.db2.gz MDZMOEMNMIFNIC-QWRGUYRKSA-N 2 0 212.337 0.831 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000655947285 411161345 /nfs/dbraw/zinc/16/13/45/411161345.db2.gz QRBWWDHPHYHLIN-CYBMUJFWSA-N 2 0 242.363 0.995 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCC(C)([NH3+])CC1 ZINC000309369589 411107811 /nfs/dbraw/zinc/10/78/11/411107811.db2.gz BSUWRKWWGXIKGJ-SECBINFHSA-N 2 0 213.325 0.454 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)[NH3+] ZINC000309375575 411114024 /nfs/dbraw/zinc/11/40/24/411114024.db2.gz CNSSPEFCZZOCRQ-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP CCC(C)(C)[NH+]1CCN(C(=O)NCC[NH3+])CC1 ZINC000655960859 411162280 /nfs/dbraw/zinc/16/22/80/411162280.db2.gz APUASNGZFSZUSY-UHFFFAOYSA-N 2 0 242.367 0.461 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000309528207 411162648 /nfs/dbraw/zinc/16/26/48/411162648.db2.gz VIEAGUHSWAGAAL-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP CN1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1=O ZINC000401001114 411168596 /nfs/dbraw/zinc/16/85/96/411168596.db2.gz MRLPUHIKKJWBLQ-WRWGMCAJSA-N 2 0 237.347 0.195 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000309557731 411171576 /nfs/dbraw/zinc/17/15/76/411171576.db2.gz NECALYFIFRQPRB-IVZWLZJFSA-N 2 0 211.309 0.125 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H](C)[NH3+] ZINC000652217942 411172996 /nfs/dbraw/zinc/17/29/96/411172996.db2.gz PKXKPNLLXUZWMY-LLVKDONJSA-N 2 0 244.383 0.611 20 0 BCADRP C[C@H](CCO)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401032879 411173562 /nfs/dbraw/zinc/17/35/62/411173562.db2.gz XOZFWXQUHXFFLX-FDYHWXHSSA-N 2 0 226.364 0.983 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652210404 411173985 /nfs/dbraw/zinc/17/39/85/411173985.db2.gz SHHLJXRMFCMZFD-VIFPVBQESA-N 2 0 228.340 0.009 20 0 BCADRP CCn1cnnc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401051849 411174106 /nfs/dbraw/zinc/17/41/06/411174106.db2.gz YRUFAFSMLURZDM-SDDRHHMPSA-N 2 0 249.362 0.776 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)NCCC1CC[NH2+]CC1 ZINC000652209949 411174239 /nfs/dbraw/zinc/17/42/39/411174239.db2.gz ARKADLVPYQSCIH-JTQLQIEISA-N 2 0 242.367 0.270 20 0 BCADRP CCn1cnnc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401051846 411174489 /nfs/dbraw/zinc/17/44/89/411174489.db2.gz YRUFAFSMLURZDM-QJPTWQEYSA-N 2 0 249.362 0.776 20 0 BCADRP c1cn(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000401117412 411176379 /nfs/dbraw/zinc/17/63/79/411176379.db2.gz IQXUACAQLSGQLO-FRRDWIJNSA-N 2 0 234.347 0.861 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)CC[N@@H+]1C ZINC000132954353 411177737 /nfs/dbraw/zinc/17/77/37/411177737.db2.gz NNQNOGPJOOQIFP-GMTAPVOTSA-N 2 0 241.379 0.959 20 0 BCADRP Cn1nccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401137475 411177891 /nfs/dbraw/zinc/17/78/91/411177891.db2.gz RECOEWACXYJORF-GRYCIOLGSA-N 2 0 234.347 0.898 20 0 BCADRP CC[C@H](C(N)=O)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309597509 411179403 /nfs/dbraw/zinc/17/94/03/411179403.db2.gz VDCOLQXDOPJFHW-OUAUKWLOSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000309601909 411183497 /nfs/dbraw/zinc/18/34/97/411183497.db2.gz WWBXYQXWIXTTCA-ZJUUUORDSA-N 2 0 213.325 0.100 20 0 BCADRP [NH3+]CCCCC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655516764 411186684 /nfs/dbraw/zinc/18/66/84/411186684.db2.gz YITFHVASJDKAGR-ZCFIWIBFSA-N 2 0 227.230 0.121 20 0 BCADRP CC(C)OC[C@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656152638 411186597 /nfs/dbraw/zinc/18/65/97/411186597.db2.gz BHPZRVZXEDMJAM-FRRDWIJNSA-N 2 0 244.379 0.702 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000656192625 411198264 /nfs/dbraw/zinc/19/82/64/411198264.db2.gz MEUQVAPXLNXWGU-IJLUTSLNSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@@H]1C[C@@H](CN[C@H](C[NH3+])C(F)(F)F)CC[NH2+]1 ZINC000656193958 411199238 /nfs/dbraw/zinc/19/92/38/411199238.db2.gz AAKQNEAJUSSYNB-HRDYMLBCSA-N 2 0 239.285 0.854 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN[C@@H](C[NH3+])C(F)(F)F ZINC000656194872 411200501 /nfs/dbraw/zinc/20/05/01/411200501.db2.gz PWKLJTGZUPKIIX-SFYZADRCSA-N 2 0 227.274 0.839 20 0 BCADRP C[C@@]1(CN[C@H](C[NH3+])C(F)(F)F)CC[NH2+]C1 ZINC000656194688 411201838 /nfs/dbraw/zinc/20/18/38/411201838.db2.gz NZLILCTWFZKFLG-HTQZYQBOSA-N 2 0 225.258 0.465 20 0 BCADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CN(C)CCO1 ZINC000656198170 411203169 /nfs/dbraw/zinc/20/31/69/411203169.db2.gz IXDZWDLTPPHPOE-UMSGYPCISA-N 2 0 241.379 0.565 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOC[C@H]2CCOC2)C1 ZINC000656197687 411203178 /nfs/dbraw/zinc/20/31/78/411203178.db2.gz XQUMIGXSMKACMC-XQQFMLRXSA-N 2 0 242.363 0.899 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CC1(COC)CC1 ZINC000656199670 411203368 /nfs/dbraw/zinc/20/33/68/411203368.db2.gz ARMMSMFOLOEVHE-NSHDSACASA-N 2 0 230.352 0.757 20 0 BCADRP COCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000656199713 411203762 /nfs/dbraw/zinc/20/37/62/411203762.db2.gz BIYHVEQQMHKSGQ-IJLUTSLNSA-N 2 0 242.363 0.755 20 0 BCADRP CCOC1CC[NH+](C[C@](C)(O)C[NH2+]C)CC1 ZINC000652337062 411204512 /nfs/dbraw/zinc/20/45/12/411204512.db2.gz GDNBXVZIIAVYSB-GFCCVEGCSA-N 2 0 230.352 0.458 20 0 BCADRP c1cc2c(cc1CN[C@H]1CC[NH2+]C1)C[NH2+]CC2 ZINC000652339968 411205901 /nfs/dbraw/zinc/20/59/01/411205901.db2.gz VHFQGPUGCZOKDY-AWEZNQCLSA-N 2 0 231.343 0.784 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000659292170 411207613 /nfs/dbraw/zinc/20/76/13/411207613.db2.gz BNOOJTQMIQVDRS-SNVBAGLBSA-N 2 0 213.325 0.324 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656201839 411207809 /nfs/dbraw/zinc/20/78/09/411207809.db2.gz ZZOOUWQHVKYPOQ-UPJWGTAASA-N 3 0 243.395 0.670 20 0 BCADRP C[C@H](CO)C1CC[NH+](CCOCC[NH3+])CC1 ZINC000652358645 411216006 /nfs/dbraw/zinc/21/60/06/411216006.db2.gz ZKPJTOLLFPYTDO-LLVKDONJSA-N 2 0 230.352 0.302 20 0 BCADRP [NH3+]C[C@H](NC(=O)CC1(C[NH3+])CC1)C(F)(F)F ZINC000655519731 411222025 /nfs/dbraw/zinc/22/20/25/411222025.db2.gz WRBGYTNNKKMFSV-LURJTMIESA-N 2 0 239.241 0.121 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000130392088 411247036 /nfs/dbraw/zinc/24/70/36/411247036.db2.gz ILQMUVYMCQHWCY-QJPTWQEYSA-N 2 0 241.379 0.960 20 0 BCADRP C[N@H+](CCC[NH3+])CCOCC(F)(F)F ZINC000049310694 411231236 /nfs/dbraw/zinc/23/12/36/411231236.db2.gz URZGJHRPDDDWPO-UHFFFAOYSA-N 2 0 214.231 0.846 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000659618698 411240542 /nfs/dbraw/zinc/24/05/42/411240542.db2.gz JWGUXMNTQIWJCL-GHMZBOCLSA-N 2 0 242.367 0.350 20 0 BCADRP CCN(C)C(=O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400956450 411166475 /nfs/dbraw/zinc/16/64/75/411166475.db2.gz HKFQWISIQLFOAO-SDDRHHMPSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400968054 411166492 /nfs/dbraw/zinc/16/64/92/411166492.db2.gz CPQNUEDJHSQNSO-DDHJBXDOSA-N 2 0 212.337 0.735 20 0 BCADRP CCN(C)C(=O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400956442 411166505 /nfs/dbraw/zinc/16/65/05/411166505.db2.gz HKFQWISIQLFOAO-IJLUTSLNSA-N 2 0 239.363 0.442 20 0 BCADRP OCCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400959461 411166787 /nfs/dbraw/zinc/16/67/87/411166787.db2.gz AGUUZQMXGACDMH-QJPTWQEYSA-N 2 0 212.337 0.737 20 0 BCADRP COC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)OC ZINC000400983959 411167298 /nfs/dbraw/zinc/16/72/98/411167298.db2.gz XFTPZLLSPVHMCU-XQHKEYJVSA-N 2 0 242.363 0.626 20 0 BCADRP [NH3+]CCCCc1cn(C2CC[NH2+]CC2)nn1 ZINC000656457356 411266273 /nfs/dbraw/zinc/26/62/73/411266273.db2.gz VCTLJPBXDZNFKA-UHFFFAOYSA-N 2 0 223.324 0.484 20 0 BCADRP C[C@H](C[NH3+])n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000656458284 411267527 /nfs/dbraw/zinc/26/75/27/411267527.db2.gz UDBBTHOSFNCURQ-RKDXNWHRSA-N 2 0 209.297 0.265 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000659636430 411271021 /nfs/dbraw/zinc/27/10/21/411271021.db2.gz LMVJIOCYHIXEHL-SNVBAGLBSA-N 2 0 240.351 0.155 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000659641230 411275634 /nfs/dbraw/zinc/27/56/34/411275634.db2.gz FHVROMOYHAFXQJ-GXSJLCMTSA-N 2 0 240.351 0.130 20 0 BCADRP Cn1cncc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401668967 411276841 /nfs/dbraw/zinc/27/68/41/411276841.db2.gz JTMZOZVFVCWMQG-YNEHKIRRSA-N 2 0 248.374 0.940 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000659642124 411277811 /nfs/dbraw/zinc/27/78/11/411277811.db2.gz JJNJNTYFVZTHRI-ZJUUUORDSA-N 2 0 242.367 0.363 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NC(C)(C)CC[NH3+] ZINC000659642460 411277901 /nfs/dbraw/zinc/27/79/01/411277901.db2.gz KRYAJZCEJJDSCZ-MRVPVSSYSA-N 2 0 216.329 0.021 20 0 BCADRP CCC[C@@H]([NH3+])c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000656467846 411279763 /nfs/dbraw/zinc/27/97/63/411279763.db2.gz GGSIBJINVPOCKX-RKDXNWHRSA-N 2 0 209.297 0.612 20 0 BCADRP CC[C@H]([NH3+])c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656467353 411279779 /nfs/dbraw/zinc/27/97/79/411279779.db2.gz OQOWWJQLJKSPBM-BDAKNGLRSA-N 2 0 209.297 0.612 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH+](C)C ZINC000649359077 411281454 /nfs/dbraw/zinc/28/14/54/411281454.db2.gz NGFDRDINFBRMCC-KXUCPTDWSA-N 2 0 213.325 0.051 20 0 BCADRP C[NH+](C)CC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000051889731 411284881 /nfs/dbraw/zinc/28/48/81/411284881.db2.gz PFMINRXJKRWPFA-ZDUSSCGKSA-N 3 0 225.380 0.870 20 0 BCADRP COCCC[N@H+](CCOC)C[C@H]1CC[NH2+]C1 ZINC000051889751 411285462 /nfs/dbraw/zinc/28/54/62/411285462.db2.gz FMSKDOGKSDVPFF-LBPRGKRZSA-N 2 0 230.352 0.581 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000659302326 411294270 /nfs/dbraw/zinc/29/42/70/411294270.db2.gz ICSISVMCUKCSLY-QJPTWQEYSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000659645641 411299324 /nfs/dbraw/zinc/29/93/24/411299324.db2.gz KLZSCQQPTWLYMF-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP C[C@@H]1CN(C(=O)CC(C)(C)[NH3+])CC[C@@H]1[NH3+] ZINC000309806965 411252798 /nfs/dbraw/zinc/25/27/98/411252798.db2.gz SKMSMRZEXJEMOA-BDAKNGLRSA-N 2 0 213.325 0.310 20 0 BCADRP CC[NH+](CC)CCn1cc(Cn2ccnc2)nn1 ZINC000656438978 411256663 /nfs/dbraw/zinc/25/66/63/411256663.db2.gz HSUVCQARUIPUJM-UHFFFAOYSA-N 2 0 248.334 0.865 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653444482 411256689 /nfs/dbraw/zinc/25/66/89/411256689.db2.gz GHNJCTBYENZENN-NOOOWODRSA-N 2 0 239.363 0.842 20 0 BCADRP O[C@@H]1CCCC[C@H]1[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000656701527 411326705 /nfs/dbraw/zinc/32/67/05/411326705.db2.gz WSPNSQQOVLXHKX-DDHJBXDOSA-N 2 0 210.321 0.441 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C/C=C/CO)[C@@H](C)C1 ZINC000658135614 411260980 /nfs/dbraw/zinc/26/09/80/411260980.db2.gz UHAWPVWOXSSODP-XMXMHJJKSA-N 2 0 212.337 0.855 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000659325540 411352314 /nfs/dbraw/zinc/35/23/14/411352314.db2.gz UUUWFAHKVKYFJB-NWDGAFQWSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@@H]1C[C@H](C[N@H+]2CCC(=O)N(C)CC2)CC[NH2+]1 ZINC000656792172 411372852 /nfs/dbraw/zinc/37/28/52/411372852.db2.gz OWDUBPXHSPHORS-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@H](O)C2)CC1 ZINC000658351813 411353610 /nfs/dbraw/zinc/35/36/10/411353610.db2.gz PQXGDFPAWJECOV-HAQNSBGRSA-N 2 0 212.337 0.974 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000659326280 411354334 /nfs/dbraw/zinc/35/43/34/411354334.db2.gz QSPGXPYYUVEJEO-SRVKXCTJSA-N 2 0 241.379 0.816 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000130567395 411358344 /nfs/dbraw/zinc/35/83/44/411358344.db2.gz ISLJZUGIEBXEOJ-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP CC[C@@H]1C[N@H+](CCOCC[NH3+])[C@H](CC)CO1 ZINC000403791899 411359981 /nfs/dbraw/zinc/35/99/81/411359981.db2.gz IQCQJDOTOHGTAF-VXGBXAGGSA-N 2 0 230.352 0.851 20 0 BCADRP c1cn(C[C@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)nn1 ZINC000656787587 411365941 /nfs/dbraw/zinc/36/59/41/411365941.db2.gz NXTLPRKJSIMVDP-STQMWFEESA-N 2 0 249.362 0.600 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](NCC2([NH3+])CCCC2)C1 ZINC000656789771 411370325 /nfs/dbraw/zinc/37/03/25/411370325.db2.gz XVTHVVPLOWTSPE-QWRGUYRKSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@@H](c1ccccn1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148826 411334762 /nfs/dbraw/zinc/33/47/62/411334762.db2.gz MTVSCYDYFXGYSA-ZDUSSCGKSA-N 2 0 248.374 0.980 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973577 411334862 /nfs/dbraw/zinc/33/48/62/411334862.db2.gz FXYSAFKQYAXBSG-NWDGAFQWSA-N 2 0 239.363 0.811 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+]C[C@]1(C)CC1(F)F ZINC000656710569 411336318 /nfs/dbraw/zinc/33/63/18/411336318.db2.gz KAFOOKPBFRNRKS-ZJUUUORDSA-N 2 0 236.306 0.934 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000069839784 411372108 /nfs/dbraw/zinc/37/21/08/411372108.db2.gz AILKYRUDLVTWTG-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]1C[C@@H](C[N@H+]2CCC(=O)N(C)CC2)CC[NH2+]1 ZINC000656792171 411372503 /nfs/dbraw/zinc/37/25/03/411372503.db2.gz OWDUBPXHSPHORS-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CC1(C[NH+]2CCOCC2)CC[NH+](CCO)CC1 ZINC000363157852 168026780 /nfs/dbraw/zinc/02/67/80/168026780.db2.gz ORXTWEVDYUSVHY-UHFFFAOYSA-N 2 0 242.363 0.413 20 0 BCADRP CC1(CNC(=O)c2c[nH+]ccc2N)CC[NH2+]CC1 ZINC000188286628 168039434 /nfs/dbraw/zinc/03/94/34/168039434.db2.gz FKNSJOXXHVNUQK-UHFFFAOYSA-N 2 0 248.330 0.783 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCC[NH+]1CCC(C)CC1 ZINC000040772563 168181196 /nfs/dbraw/zinc/18/11/96/168181196.db2.gz ZHTARWTVZKCXRV-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP CCC(C)(C)NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000049282015 168290256 /nfs/dbraw/zinc/29/02/56/168290256.db2.gz OZELMHVWJSJGIL-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000638196524 411456981 /nfs/dbraw/zinc/45/69/81/411456981.db2.gz AJEODJCPWJXURA-NWDGAFQWSA-N 2 0 237.347 0.490 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000659327557 411395783 /nfs/dbraw/zinc/39/57/83/411395783.db2.gz FLBAWQNLULUWQR-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000653043548 411401518 /nfs/dbraw/zinc/40/15/18/411401518.db2.gz ATTIWVJXZCLQJC-GMTAPVOTSA-N 2 0 223.320 0.077 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653044187 411401584 /nfs/dbraw/zinc/40/15/84/411401584.db2.gz WGDLBRJTHWUOLT-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+]C1CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653042908 411401688 /nfs/dbraw/zinc/40/16/88/411401688.db2.gz MBXUBKZZZBNFBC-VXGBXAGGSA-N 2 0 237.347 0.467 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000653044042 411401724 /nfs/dbraw/zinc/40/17/24/411401724.db2.gz PBXCWLBLVFSNKZ-WOPDTQHZSA-N 2 0 237.347 0.337 20 0 BCADRP O=C([C@H]1CCC[NH2+]CC1)N1CCC[NH2+]CC1 ZINC000653043977 411401736 /nfs/dbraw/zinc/40/17/36/411401736.db2.gz MCSWSBZTQNZEIU-NSHDSACASA-N 2 0 225.336 0.198 20 0 BCADRP O=C(NC[C@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]CC1 ZINC000653046362 411403016 /nfs/dbraw/zinc/40/30/16/411403016.db2.gz WIMPEPDERSTTFZ-NWDGAFQWSA-N 2 0 239.363 0.634 20 0 BCADRP O=C(NCC[NH2+]C1CC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653048221 411404167 /nfs/dbraw/zinc/40/41/67/411404167.db2.gz QKPGNDDBRRAFIS-NWDGAFQWSA-N 2 0 237.347 0.385 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653051010 411404790 /nfs/dbraw/zinc/40/47/90/411404790.db2.gz CQFBGVYJBAXQLU-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653051471 411405210 /nfs/dbraw/zinc/40/52/10/411405210.db2.gz ABUXCAFZVOMVGU-AXFHLTTASA-N 2 0 227.352 0.603 20 0 BCADRP C[C@@H]([NH3+])C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659371594 411405573 /nfs/dbraw/zinc/40/55/73/411405573.db2.gz XFSFKEYVSHSFPC-SKDRFNHKSA-N 2 0 249.314 0.633 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653053819 411406296 /nfs/dbraw/zinc/40/62/96/411406296.db2.gz MDIPTLAXPMFDFE-UWVGGRQHSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659378604 411406247 /nfs/dbraw/zinc/40/62/47/411406247.db2.gz JJTOBBVFOCVSJS-WISYIIOYSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)[C@H](C[NH3+])C1 ZINC000659378573 411406269 /nfs/dbraw/zinc/40/62/69/411406269.db2.gz DMQCSVBWJDKGMK-VWYCJHECSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659379028 411406519 /nfs/dbraw/zinc/40/65/19/411406519.db2.gz XIGFQFIVFNMPCJ-UTLUCORTSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659388925 411409816 /nfs/dbraw/zinc/40/98/16/411409816.db2.gz NUKKQWIAWPOCRQ-ZDCRXTMVSA-N 2 0 243.326 0.272 20 0 BCADRP [NH3+]CC1(CC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659387416 411410183 /nfs/dbraw/zinc/41/01/83/411410183.db2.gz UQJXFUWBXIFPQY-RKDXNWHRSA-N 2 0 229.299 0.013 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659388519 411410543 /nfs/dbraw/zinc/41/05/43/411410543.db2.gz JPTKPTJMBSHMNI-GWOFURMSSA-N 2 0 243.326 0.402 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](C)C[NH2+]C ZINC000659445666 411415888 /nfs/dbraw/zinc/41/58/88/411415888.db2.gz JLOZHYPXJYNFBX-GHMZBOCLSA-N 2 0 244.383 0.624 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659493040 411420768 /nfs/dbraw/zinc/42/07/68/411420768.db2.gz OCTIAWMPTGKYBS-IVZWLZJFSA-N 2 0 246.330 0.017 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)NCC1([NH3+])CCCC1 ZINC000659493023 411421068 /nfs/dbraw/zinc/42/10/68/411421068.db2.gz NGYDNVPBFRSLLA-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP CCn1ccnc1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000659500415 411422248 /nfs/dbraw/zinc/42/22/48/411422248.db2.gz VGDYHIHZCMOSJU-VIFPVBQESA-N 2 0 237.307 0.064 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCC[NH3+])C1 ZINC000659508304 411424181 /nfs/dbraw/zinc/42/41/81/411424181.db2.gz UGAATOCTRPKHBA-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H](NC(=O)N[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000659511127 411424818 /nfs/dbraw/zinc/42/48/18/411424818.db2.gz OSHCDIMMXZVOMG-DCAQKATOSA-N 2 0 240.351 0.036 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000659518140 411427134 /nfs/dbraw/zinc/42/71/34/411427134.db2.gz FNFHSJQUOQLPNU-SECBINFHSA-N 2 0 228.340 0.102 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)NCC(C)(C)[NH3+] ZINC000659521855 411428195 /nfs/dbraw/zinc/42/81/95/411428195.db2.gz WMAPZCMXVPKGDH-SECBINFHSA-N 2 0 230.356 0.396 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](C)C[NH3+])C1 ZINC000659525419 411428285 /nfs/dbraw/zinc/42/82/85/411428285.db2.gz GEAQCFRXBCFXTK-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)CC[NH3+] ZINC000659528321 411429253 /nfs/dbraw/zinc/42/92/53/411429253.db2.gz QQSAXJFSRWFROU-VHSXEESVSA-N 2 0 230.356 0.396 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)NC1CC[NH2+]CC1 ZINC000659505392 411462928 /nfs/dbraw/zinc/46/29/28/411462928.db2.gz WDJVYNXEQFXTQZ-LLVKDONJSA-N 2 0 242.367 0.411 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NCCC1=CC[NH2+]CC1 ZINC000659537257 411431106 /nfs/dbraw/zinc/43/11/06/411431106.db2.gz CRZPBMRBKMIXIZ-SNVBAGLBSA-N 2 0 240.351 0.203 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000659533955 411431162 /nfs/dbraw/zinc/43/11/62/411431162.db2.gz ZQMCVKFKJDSNMY-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NCC1([NH3+])CCCC1 ZINC000659537248 411431223 /nfs/dbraw/zinc/43/12/23/411431223.db2.gz KTZUFXANAGTKTO-SNVBAGLBSA-N 2 0 242.367 0.555 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659540790 411432266 /nfs/dbraw/zinc/43/22/66/411432266.db2.gz XAZYCLOATAIOGT-NXEZZACHSA-N 2 0 242.367 0.506 20 0 BCADRP CCOCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405554594 411434441 /nfs/dbraw/zinc/43/44/41/411434441.db2.gz ALPLTTVSBOLISW-VXGBXAGGSA-N 2 0 230.352 0.709 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659555227 411435516 /nfs/dbraw/zinc/43/55/16/411435516.db2.gz ZGHRDGYXFWUQSA-SECBINFHSA-N 2 0 230.356 0.493 20 0 BCADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000654737319 411437090 /nfs/dbraw/zinc/43/70/90/411437090.db2.gz OAFPWVSDTGUINI-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1([NH3+])CCCC1 ZINC000659576041 411439261 /nfs/dbraw/zinc/43/92/61/411439261.db2.gz YXLWHKQHBRWAQC-UWVGGRQHSA-N 2 0 240.351 0.389 20 0 BCADRP CN(CCC[NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000659578029 411439527 /nfs/dbraw/zinc/43/95/27/411439527.db2.gz QHGPHKGFFUQTDF-UHFFFAOYSA-N 2 0 228.340 0.248 20 0 BCADRP C[C@@H]1CN(C(=O)NCC2([NH3+])CCCC2)CC[NH2+]1 ZINC000659575295 411439770 /nfs/dbraw/zinc/43/97/70/411439770.db2.gz LNUNQEYBGBOGBX-SNVBAGLBSA-N 2 0 240.351 0.261 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659636426 411442292 /nfs/dbraw/zinc/44/22/92/411442292.db2.gz LJGASDDBXQNYOR-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000659507611 411463672 /nfs/dbraw/zinc/46/36/72/411463672.db2.gz KAEKEUZFVVSQRQ-ZJUUUORDSA-N 2 0 228.340 0.036 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)CCC1C[NH2+]C1 ZINC000637829010 411442846 /nfs/dbraw/zinc/44/28/46/411442846.db2.gz LQAPRKDDTSXUAS-UHFFFAOYSA-N 2 0 227.352 0.490 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659621113 411443470 /nfs/dbraw/zinc/44/34/70/411443470.db2.gz VOWNXPYNYMURIM-VHSXEESVSA-N 2 0 230.356 0.267 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H](C)[NH+](C)C ZINC000637828962 411443757 /nfs/dbraw/zinc/44/37/57/411443757.db2.gz KQGLGNBSMYMPSF-SNVBAGLBSA-N 2 0 215.341 0.441 20 0 BCADRP CCCN(C(=O)[C@H](C)[NH2+]CC)[C@@H]1CC[NH2+]C1 ZINC000637834028 411444584 /nfs/dbraw/zinc/44/45/84/411444584.db2.gz UIEIGMTUBRFMJY-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659637084 411445123 /nfs/dbraw/zinc/44/51/23/411445123.db2.gz TYTAQDUPEHNSJJ-VWYCJHECSA-N 2 0 242.367 0.363 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407322069 411480298 /nfs/dbraw/zinc/48/02/98/411480298.db2.gz JVUKWSIVBOPGJK-QWRGUYRKSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407354932 411481226 /nfs/dbraw/zinc/48/12/26/411481226.db2.gz NUYFIIBENQUAPT-VXGBXAGGSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000657369586 411483649 /nfs/dbraw/zinc/48/36/49/411483649.db2.gz IBTUCSPNEMUYOV-XQQFMLRXSA-N 2 0 242.363 0.600 20 0 BCADRP CC[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)CO1 ZINC000657370327 411483886 /nfs/dbraw/zinc/48/38/86/411483886.db2.gz BRMATRIORDZGKZ-VXGBXAGGSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000127653423 411499814 /nfs/dbraw/zinc/49/98/14/411499814.db2.gz PWDRZSPQBSUFNH-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)CO1 ZINC000657437855 411510362 /nfs/dbraw/zinc/51/03/62/411510362.db2.gz LZTGIXDDXQGFPP-RYUDHWBXSA-N 2 0 230.352 0.722 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]([NH3+])CC)C1 ZINC000659547108 411517430 /nfs/dbraw/zinc/51/74/30/411517430.db2.gz AUTZHMRIFXFOFZ-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP COC[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805913 411520389 /nfs/dbraw/zinc/52/03/89/411520389.db2.gz NEMGUILTFKYNIK-GARJFASQSA-N 2 0 200.326 0.951 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ncc[nH]2)C1 ZINC000655826052 411528385 /nfs/dbraw/zinc/52/83/85/411528385.db2.gz FBWUMJYVHRYKAD-AOOOYVTPSA-N 2 0 208.309 0.840 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000655829615 411530707 /nfs/dbraw/zinc/53/07/07/411530707.db2.gz NURAJSNHKBDCHS-JFGNBEQYSA-N 2 0 249.362 0.212 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CSCN2)C1 ZINC000236901047 170008721 /nfs/dbraw/zinc/00/87/21/170008721.db2.gz AIPDSPBCYCTRQA-VHSXEESVSA-N 2 0 243.376 0.107 20 0 BCADRP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000335150623 170012340 /nfs/dbraw/zinc/01/23/40/170012340.db2.gz PBPOEQJBYLGKPQ-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000040464013 170014959 /nfs/dbraw/zinc/01/49/59/170014959.db2.gz GMMJRYOEPXPMCZ-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000310390158 170015426 /nfs/dbraw/zinc/01/54/26/170015426.db2.gz RKFWHDXNGZKLHX-RKDXNWHRSA-N 2 0 249.305 0.427 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH2+]C)[C@@H](C)C1 ZINC000246244327 170017013 /nfs/dbraw/zinc/01/70/13/170017013.db2.gz JECQIJLBTFMYMS-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COC)[C@@H](C)C1 ZINC000245608865 170018802 /nfs/dbraw/zinc/01/88/02/170018802.db2.gz UFJRPAWHTQKHSN-AVGNSLFASA-N 2 0 244.379 0.656 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COC)[C@H](C)C1 ZINC000127999509 170019846 /nfs/dbraw/zinc/01/98/46/170019846.db2.gz UFJRPAWHTQKHSN-UPJWGTAASA-N 2 0 244.379 0.656 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](COC)OC)[C@@H](C)C1 ZINC000358428913 170021064 /nfs/dbraw/zinc/02/10/64/170021064.db2.gz DWKKBHSVJCZMOF-XQQFMLRXSA-N 2 0 244.379 0.968 20 0 BCADRP CCNC(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366563052 170051408 /nfs/dbraw/zinc/05/14/08/170051408.db2.gz UBFHMJFMBDEKIJ-CYBMUJFWSA-N 2 0 239.363 0.540 20 0 BCADRP CCNC(=O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377267896 170051579 /nfs/dbraw/zinc/05/15/79/170051579.db2.gz QYOUSKRVDMSDRP-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CCNC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357068294 170059049 /nfs/dbraw/zinc/05/90/49/170059049.db2.gz DUDWWPXUKHSZOK-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP CCNC(=O)CN1CC[C@H](Oc2ccncc2)C1 ZINC000331154297 170060809 /nfs/dbraw/zinc/06/08/09/170060809.db2.gz CYOGMCLTVUUCOV-LBPRGKRZSA-N 2 0 249.314 0.671 20 0 BCADRP CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000078802644 170072703 /nfs/dbraw/zinc/07/27/03/170072703.db2.gz DPFBBPOTZBEYGD-UHFFFAOYSA-N 2 0 230.356 0.141 20 0 BCADRP CCNC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000250242605 170095871 /nfs/dbraw/zinc/09/58/71/170095871.db2.gz HNTZFDZMTXUWRW-DCAQKATOSA-N 2 0 227.352 0.618 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000236947889 170114414 /nfs/dbraw/zinc/11/44/14/170114414.db2.gz XLEVIHIPQZEZJL-DTWKUNHWSA-N 2 0 201.314 0.086 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246210840 170114441 /nfs/dbraw/zinc/11/44/41/170114441.db2.gz BZFIXISVXQQHQT-UTUOFQBUSA-N 2 0 239.363 0.633 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000364462312 170114833 /nfs/dbraw/zinc/11/48/33/170114833.db2.gz CFIHBMIBAYCNBY-NSHDSACASA-N 2 0 227.352 0.492 20 0 BCADRP CC[C@@H](CCO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000217810765 411551843 /nfs/dbraw/zinc/55/18/43/411551843.db2.gz AIEJCEPNOCGRGW-RYUDHWBXSA-N 2 0 230.352 0.194 20 0 BCADRP CC[NH2+][C@@H](C)CNC(=O)[C@@H](C[NH3+])C(C)C ZINC000336756074 170138998 /nfs/dbraw/zinc/13/89/98/170138998.db2.gz YHAZRZYYASSKMT-UWVGGRQHSA-N 2 0 215.341 0.332 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C(CC)(CC)C[NH3+] ZINC000358922168 170156892 /nfs/dbraw/zinc/15/68/92/170156892.db2.gz BODGQRUBUPKTOS-SNVBAGLBSA-N 2 0 229.368 0.866 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000366449366 170157508 /nfs/dbraw/zinc/15/75/08/170157508.db2.gz NVYHCAUIBSXKJT-JFGNBEQYSA-N 2 0 225.336 0.100 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[NH2+][C@H]1CC ZINC000353424850 170157610 /nfs/dbraw/zinc/15/76/10/170157610.db2.gz GIIJZDGLMDCEMW-VWYCJHECSA-N 2 0 227.352 0.489 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000358946637 170158135 /nfs/dbraw/zinc/15/81/35/170158135.db2.gz RKGJGHRRMXNIKL-VXGBXAGGSA-N 2 0 241.379 0.880 20 0 BCADRP CCOC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000129146564 170220999 /nfs/dbraw/zinc/22/09/99/170220999.db2.gz DYCJYHJVCSFMCY-NEPJUHHUSA-N 2 0 240.347 0.966 20 0 BCADRP CCOCCN(CC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000310258612 170395304 /nfs/dbraw/zinc/39/53/04/170395304.db2.gz HFHKOLBDLHMNCZ-CYBMUJFWSA-N 2 0 244.379 0.800 20 0 BCADRP CCCCOCCN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000133311683 411706460 /nfs/dbraw/zinc/70/64/60/411706460.db2.gz TVNMVWWKSOUYSB-VXGBXAGGSA-N 2 0 230.352 0.851 20 0 BCADRP C[C@H]1CCCCN1C(=O)CN(C)CCC[NH3+] ZINC000133217654 411657296 /nfs/dbraw/zinc/65/72/96/411657296.db2.gz QKYYJAOKAUGSGN-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](C[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC000663494584 411674781 /nfs/dbraw/zinc/67/47/81/411674781.db2.gz JNDMHVYTBOBYLK-UHTWSYAYSA-N 3 0 223.364 0.655 20 0 BCADRP [NH3+]CC[C@H](NC[C@]12C[C@H]1C[NH2+]C2)C(F)F ZINC000663496743 411676401 /nfs/dbraw/zinc/67/64/01/411676401.db2.gz IXRNYRMIFUAHKD-OYNCUSHFSA-N 2 0 219.279 0.168 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1CN(C[C@]13C[C@H]1C[NH2+]C3)C2 ZINC000663496224 411676641 /nfs/dbraw/zinc/67/66/41/411676641.db2.gz DQKLUWVBJGICGK-XDQVBPFNSA-N 2 0 235.375 0.657 20 0 BCADRP C(CNC[C@]12C[C@H]1C[NH2+]C2)C[NH2+]C1CC1 ZINC000663496658 411676992 /nfs/dbraw/zinc/67/69/92/411676992.db2.gz HPBHCGXWEXSSSZ-JQWIXIFHSA-N 2 0 209.337 0.328 20 0 BCADRP CC1(C[NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)CC[NH2+]CC1 ZINC000663495788 411677484 /nfs/dbraw/zinc/67/74/84/411677484.db2.gz BBNUXXUSNKJTER-YPMHNXCESA-N 3 0 223.364 0.575 20 0 BCADRP C(C[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2)C[C@H]1CCC[NH2+]1 ZINC000663497436 411678711 /nfs/dbraw/zinc/67/87/11/411678711.db2.gz OLNTZNBXJQMMQX-FRRDWIJNSA-N 3 0 223.364 0.718 20 0 BCADRP C(N1CCC2(CC[NH2+]2)CC1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663497015 411679565 /nfs/dbraw/zinc/67/95/65/411679565.db2.gz KTUYXLBLCSFFGF-NEPJUHHUSA-N 2 0 221.348 0.424 20 0 BCADRP CC1(NC[C@]23C[C@H]2C[NH2+]C3)CC[NH2+]CC1 ZINC000663497445 411679787 /nfs/dbraw/zinc/67/97/87/411679787.db2.gz ORDZKIFHTGMNAU-CMPLNLGQSA-N 2 0 209.337 0.328 20 0 BCADRP CC[NH+]1CCC(NCC23CC(C2)C[NH2+]3)CC1 ZINC000663498637 411680717 /nfs/dbraw/zinc/68/07/17/411680717.db2.gz ROBWROAPEOXMOH-UHFFFAOYSA-N 2 0 223.364 0.812 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663498045 411681388 /nfs/dbraw/zinc/68/13/88/411681388.db2.gz RDBBTKIUCZUVEJ-WYUUTHIRSA-N 2 0 209.337 0.184 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@]12C[C@H]1C[NH2+]C2 ZINC000663498389 411682590 /nfs/dbraw/zinc/68/25/90/411682590.db2.gz SGELFPNWHQQFDJ-FIQHERPVSA-N 2 0 209.337 0.326 20 0 BCADRP C[C@H]1C[C@H](C[NH2+]CC23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000663501575 411685204 /nfs/dbraw/zinc/68/52/04/411685204.db2.gz XSAQCDDAFYGPDW-ZFDZMSFRSA-N 3 0 223.364 0.716 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000663501253 411685831 /nfs/dbraw/zinc/68/58/31/411685831.db2.gz UCRLMWXUVLOUPX-UZEXVOJHSA-N 2 0 209.337 0.326 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663503575 411687633 /nfs/dbraw/zinc/68/76/33/411687633.db2.gz PTUUDMGUPUPFQM-IJLUTSLNSA-N 2 0 211.353 0.559 20 0 BCADRP C([NH2+]CC12CC(C1)C[NH2+]2)C1CCOCC1 ZINC000663502869 411688266 /nfs/dbraw/zinc/68/82/66/411688266.db2.gz YQPVYPJZRFRVPP-UHFFFAOYSA-N 2 0 210.321 0.755 20 0 BCADRP C[C@@H]1CC[N@H+](Cc2ccnc(N)c2)C[C@H]1C[NH3+] ZINC000420407259 411906996 /nfs/dbraw/zinc/90/69/96/411906996.db2.gz OHYBCOGDFGEDGZ-ZYHUDNBSSA-N 2 0 234.347 1.081 20 0 BCADRP C[C@@H]1CC[N@H+](Cc2ccnc(N)c2)C[C@@H]1C[NH3+] ZINC000420407256 411907137 /nfs/dbraw/zinc/90/71/37/411907137.db2.gz OHYBCOGDFGEDGZ-PWSUYJOCSA-N 2 0 234.347 1.081 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000011959303 170794390 /nfs/dbraw/zinc/79/43/90/170794390.db2.gz UFPGKKCEKGXULP-ZJUUUORDSA-N 2 0 215.341 0.428 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(N)nc1 ZINC000647546980 411909181 /nfs/dbraw/zinc/90/91/81/411909181.db2.gz JEZILARBPYWWSN-MWLCHTKSSA-N 2 0 220.320 0.751 20 0 BCADRP C[C@H](CC[NH3+])[NH2+]Cc1cnc(N)s1 ZINC000581310553 411917021 /nfs/dbraw/zinc/91/70/21/411917021.db2.gz GQZYNFWPEGICQP-ZCFIWIBFSA-N 2 0 200.311 0.552 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NCc1cnc(N)s1 ZINC000573000819 411919046 /nfs/dbraw/zinc/91/90/46/411919046.db2.gz TYMDQFFCWLEGCO-WDSKDSINSA-N 2 0 200.311 0.551 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(N)nc1 ZINC000647552047 411920206 /nfs/dbraw/zinc/92/02/06/411920206.db2.gz CNAMRDJXDGBAKG-DTWKUNHWSA-N 2 0 208.309 0.879 20 0 BCADRP CN(CC1C[NH+](C)C1)c1ncnc2[nH]ccc21 ZINC000664331431 411922233 /nfs/dbraw/zinc/92/22/33/411922233.db2.gz QZQHZWZCNICDGZ-UHFFFAOYSA-N 2 0 231.303 0.956 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)Nc1nc(N)[nH+]c2c1CCCC2 ZINC000647708222 411883325 /nfs/dbraw/zinc/88/33/25/411883325.db2.gz FHBYJHDMKMLVQU-HTQZYQBOSA-N 2 0 235.335 0.507 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000133849629 411980984 /nfs/dbraw/zinc/98/09/84/411980984.db2.gz LCCWYYYDKRGBCV-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC000665669514 411987913 /nfs/dbraw/zinc/98/79/13/411987913.db2.gz NGTXLLBKZUMLQT-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000664718256 412012904 /nfs/dbraw/zinc/01/29/04/412012904.db2.gz BFNZOVLHLQHFKH-XYPYZODXSA-N 2 0 241.379 0.960 20 0 BCADRP Nc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cn1 ZINC000647546746 411957251 /nfs/dbraw/zinc/95/72/51/411957251.db2.gz ZVFOTTWYFKKATE-SNVBAGLBSA-N 2 0 220.320 0.753 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662228605 412032331 /nfs/dbraw/zinc/03/23/31/412032331.db2.gz IVUSMJAJJQRIHI-CHWSQXEVSA-N 2 0 224.348 0.954 20 0 BCADRP COC[C@H](CN1CCCC[C@@H]1[C@@H](C)[NH3+])OC ZINC000662235792 412034245 /nfs/dbraw/zinc/03/42/45/412034245.db2.gz SVVGTPZYEFBBGG-GRYCIOLGSA-N 2 0 230.352 0.850 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662243697 412039771 /nfs/dbraw/zinc/03/97/71/412039771.db2.gz OXZNUPZQHXXMOK-NWDGAFQWSA-N 2 0 239.363 0.321 20 0 BCADRP CC1(C)C[NH2+]CCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662243970 412039812 /nfs/dbraw/zinc/03/98/12/412039812.db2.gz FFMSABLISIRRPI-LLVKDONJSA-N 2 0 239.363 0.191 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000664896249 412039850 /nfs/dbraw/zinc/03/98/50/412039850.db2.gz LAHISZDXHMJXGD-JTQLQIEISA-N 2 0 242.367 0.140 20 0 BCADRP CCN1CC[C@H](N2CC[C@H](C[NH2+]C)C2)C1=O ZINC000662245141 412041099 /nfs/dbraw/zinc/04/10/99/412041099.db2.gz HWUNWEDFILZYCG-MNOVXSKESA-N 2 0 225.336 0.149 20 0 BCADRP CC[C@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662249707 412046304 /nfs/dbraw/zinc/04/63/04/412046304.db2.gz YHVVGQLVYFWPAE-RYUDHWBXSA-N 2 0 240.347 0.618 20 0 BCADRP CC[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)CC[C@H]1[NH3+] ZINC000662270113 412060061 /nfs/dbraw/zinc/06/00/61/412060061.db2.gz IJOGDHAFHOSHRO-IJLUTSLNSA-N 2 0 239.363 0.666 20 0 BCADRP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)CC(C)(C)C[NH3+] ZINC000662248114 412047743 /nfs/dbraw/zinc/04/77/43/412047743.db2.gz UBMPHNYTDVGOHM-NSHDSACASA-N 3 0 241.379 0.424 20 0 BCADRP COC[C@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255082 412048414 /nfs/dbraw/zinc/04/84/14/412048414.db2.gz OFXHTDIAXWOQQN-RYUDHWBXSA-N 2 0 240.347 0.476 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@H](C)CO1 ZINC000662252007 412049942 /nfs/dbraw/zinc/04/99/42/412049942.db2.gz LAVWOKHBCSFORW-IJLUTSLNSA-N 2 0 240.347 0.617 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H](C)CO1 ZINC000662252013 412050052 /nfs/dbraw/zinc/05/00/52/412050052.db2.gz LAVWOKHBCSFORW-UTUOFQBUSA-N 2 0 240.347 0.617 20 0 BCADRP CO[C@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255426 412051444 /nfs/dbraw/zinc/05/14/44/412051444.db2.gz PFSKCWWATUSCIN-WDEREUQCSA-N 2 0 226.320 0.228 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C[C@@H]1C[NH2+]CCO1 ZINC000662273201 412064768 /nfs/dbraw/zinc/06/47/68/412064768.db2.gz MVYSXCMIHGZKLS-RYUDHWBXSA-N 2 0 227.352 0.178 20 0 BCADRP C[C@H](CCNC(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000665044603 412066678 /nfs/dbraw/zinc/06/66/78/412066678.db2.gz WGHJQJXQRLBGMM-MNOVXSKESA-N 2 0 244.383 0.576 20 0 BCADRP C[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)[C@@H](C)C[NH2+]1 ZINC000662274843 412066959 /nfs/dbraw/zinc/06/69/59/412066959.db2.gz NBMJHAPHQBYAFG-GRYCIOLGSA-N 2 0 239.363 0.190 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000353135589 171145850 /nfs/dbraw/zinc/14/58/50/171145850.db2.gz WTBCETCFQGBDTJ-AXFHLTTASA-N 2 0 227.352 0.474 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]C ZINC000353178654 171145900 /nfs/dbraw/zinc/14/59/00/171145900.db2.gz AQMYNZQPJBODBP-DCAQKATOSA-N 2 0 227.352 0.346 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000353540106 171146754 /nfs/dbraw/zinc/14/67/54/171146754.db2.gz YLZZTKZZAAUJDO-YTWAJWBKSA-N 2 0 225.336 0.323 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000353429840 171146791 /nfs/dbraw/zinc/14/67/91/171146791.db2.gz UVPGVDIBIMEALJ-WOPDTQHZSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000353164314 171147589 /nfs/dbraw/zinc/14/75/89/171147589.db2.gz FMPUQNCYMRFPME-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000353459218 171148044 /nfs/dbraw/zinc/14/80/44/171148044.db2.gz LKWPVYADAUQHIV-NOOOWODRSA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000353190506 171148065 /nfs/dbraw/zinc/14/80/65/171148065.db2.gz ODIMCHNIARBEDF-GVXVVHGQSA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](C)C[NH2+]C ZINC000353178648 171148888 /nfs/dbraw/zinc/14/88/88/171148888.db2.gz AQMYNZQPJBODBP-AXFHLTTASA-N 2 0 227.352 0.346 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000353194765 171148983 /nfs/dbraw/zinc/14/89/83/171148983.db2.gz UNPPUKZSJDUEDR-AXFHLTTASA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000353430958 171149650 /nfs/dbraw/zinc/14/96/50/171149650.db2.gz XPDIXLZHJOJJGL-TUAOUCFPSA-N 2 0 239.363 0.442 20 0 BCADRP [NH3+][C@@H]1Cc2ccccc2N(C[C@H]2C[NH2+]CCO2)C1 ZINC000662280531 412070759 /nfs/dbraw/zinc/07/07/59/412070759.db2.gz DUYLACCPTZNSAJ-CHWSQXEVSA-N 2 0 247.342 0.365 20 0 BCADRP OCC1([NH2+]CC2CC=CC2)CC[NH2+]CC1 ZINC000662285064 412076534 /nfs/dbraw/zinc/07/65/34/412076534.db2.gz VUXOCXRBJFQXQX-UHFFFAOYSA-N 2 0 210.321 0.657 20 0 BCADRP CC[C@@]1(C(=O)N2CCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000119217143 171195880 /nfs/dbraw/zinc/19/58/80/171195880.db2.gz PPNDFHVARPQQHX-CMPLNLGQSA-N 2 0 225.336 0.326 20 0 BCADRP CC[C@@]1(C(=O)NCC(F)(F)CN)CC[NH2+]C1 ZINC000364487945 171195923 /nfs/dbraw/zinc/19/59/23/171195923.db2.gz RIUQKPSDNMTVDB-SECBINFHSA-N 2 0 235.278 0.086 20 0 BCADRP CC[C@@]1(C(=O)N[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000134365917 171196313 /nfs/dbraw/zinc/19/63/13/171196313.db2.gz GZWHFIXFQSBMOU-PWSUYJOCSA-N 2 0 225.336 0.387 20 0 BCADRP CC[C@@]1(C(=O)NCC[C@@H](C)[NH3+])CCC[NH2+]1 ZINC000184074391 171196319 /nfs/dbraw/zinc/19/63/19/171196319.db2.gz XLBUWFBQSHUONK-KOLCDFICSA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000134366584 171196341 /nfs/dbraw/zinc/19/63/41/171196341.db2.gz GEPXAPPCMZSQHW-YPMHNXCESA-N 2 0 239.363 0.634 20 0 BCADRP CC[C@@]1(C(=O)NCC[C@@H](C)[NH3+])CC[NH2+]C1 ZINC000309518934 171196416 /nfs/dbraw/zinc/19/64/16/171196416.db2.gz ZNQIGIUUXRHKNG-MWLCHTKSSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@@]1(C(=O)N[C@H]2CCC[NH2+]CC2)CCC[NH2+]1 ZINC000364161535 171197272 /nfs/dbraw/zinc/19/72/72/171197272.db2.gz OSZMUEYDTUDMJR-AAEUAGOBSA-N 2 0 239.363 0.777 20 0 BCADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000662282403 412071934 /nfs/dbraw/zinc/07/19/34/412071934.db2.gz HEZBNYMWEDDTTK-YVECIDJPSA-N 2 0 241.379 0.280 20 0 BCADRP CC[C@H](C(=O)N(C)[C@H](C)C[NH3+])[NH+](CC)CC ZINC000359429342 171223189 /nfs/dbraw/zinc/22/31/89/171223189.db2.gz RFLSGBYQNVTPTO-GHMZBOCLSA-N 2 0 229.368 0.912 20 0 BCADRP C[NH2+]CCCN(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662281556 412072672 /nfs/dbraw/zinc/07/26/72/412072672.db2.gz NUBIUKCSJPOZIK-NSHDSACASA-N 2 0 227.352 0.049 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)[NH+](C)C ZINC000377789987 171225451 /nfs/dbraw/zinc/22/54/51/171225451.db2.gz VSQOTWYWAMQFDK-QJPTWQEYSA-N 2 0 239.363 0.395 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[NH+](C)C ZINC000377789985 171225502 /nfs/dbraw/zinc/22/55/02/171225502.db2.gz VSQOTWYWAMQFDK-GRYCIOLGSA-N 2 0 239.363 0.395 20 0 BCADRP CC[C@H](C(=O)NCC[N@H+](CC)C1CC1)[NH+](C)C ZINC000125114939 171228030 /nfs/dbraw/zinc/22/80/30/171228030.db2.gz SEGCDRZHUDOBJK-GFCCVEGCSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+]CCCN(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662332099 412084043 /nfs/dbraw/zinc/08/40/43/412084043.db2.gz NIXSTXRICFFACL-ZETCQYMHSA-N 2 0 213.247 0.417 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000226396354 171305682 /nfs/dbraw/zinc/30/56/82/171305682.db2.gz IMZACFKZTYHTHS-QWRGUYRKSA-N 2 0 229.368 0.816 20 0 BCADRP CC[C@H](C)NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000111612027 171324408 /nfs/dbraw/zinc/32/44/08/171324408.db2.gz QMHJKGCSIZFWLQ-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000128123336 171340317 /nfs/dbraw/zinc/34/03/17/171340317.db2.gz IFSBFPZPGZIWMU-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP OCC1([NH2+]CCCCCF)CC[NH2+]CC1 ZINC000662287025 412079660 /nfs/dbraw/zinc/07/96/60/412079660.db2.gz QCDOIHXGOIIQSM-UHFFFAOYSA-N 2 0 218.316 0.830 20 0 BCADRP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291919 412080865 /nfs/dbraw/zinc/08/08/65/412080865.db2.gz ARPBGKGEYICAMS-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812622 171369744 /nfs/dbraw/zinc/36/97/44/171369744.db2.gz MIRHUBURNMQKPO-QJPTWQEYSA-N 2 0 239.363 0.666 20 0 BCADRP CN(C(=O)C1([NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000665072983 412082347 /nfs/dbraw/zinc/08/23/47/412082347.db2.gz CBDITXJEDZXZIB-UHFFFAOYSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)CC[NH2+]C ZINC000069803175 171393324 /nfs/dbraw/zinc/39/33/24/171393324.db2.gz GGULXHLERNTQFO-IUCAKERBSA-N 2 0 201.314 0.038 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000035738364 171393998 /nfs/dbraw/zinc/39/39/98/171393998.db2.gz ZFDDLUYBRHHBEC-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365227474 171394540 /nfs/dbraw/zinc/39/45/40/171394540.db2.gz RTSHAIMCLOICPU-YFKTTZPYSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[NH2+]C(C)(C)C ZINC000237030612 171395873 /nfs/dbraw/zinc/39/58/73/171395873.db2.gz KFWNEKDHTQIJCW-UWVGGRQHSA-N 2 0 229.368 0.864 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000124305959 171396397 /nfs/dbraw/zinc/39/63/97/171396397.db2.gz WLTYLKIQFYCTJX-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000662387407 412139527 /nfs/dbraw/zinc/13/95/27/412139527.db2.gz HGRSUSCLLRSNOJ-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP COCC1([N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662299753 412086697 /nfs/dbraw/zinc/08/66/97/412086697.db2.gz WSYHPZDKBGCDDE-NSHDSACASA-N 2 0 240.347 0.618 20 0 BCADRP C[C@@H](CO)[C@H]1CCCC[N@@H+]1CCC[NH3+] ZINC000662301230 412087684 /nfs/dbraw/zinc/08/76/84/412087684.db2.gz PMDRXCVYXFLKDJ-WDEREUQCSA-N 2 0 200.326 0.818 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662316216 412092823 /nfs/dbraw/zinc/09/28/23/412092823.db2.gz XJJMBGCGENTCDZ-CHWSQXEVSA-N 2 0 242.363 0.459 20 0 BCADRP C[N@H+](CCC1CC[NH2+]CC1)C[C@H]1COCCO1 ZINC000662306928 412092889 /nfs/dbraw/zinc/09/28/89/412092889.db2.gz SKDWQONGXZRFIC-ZDUSSCGKSA-N 2 0 242.363 0.723 20 0 BCADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1COCCO1 ZINC000662307734 412093182 /nfs/dbraw/zinc/09/31/82/412093182.db2.gz YKRKZGXLVLKITQ-RYUDHWBXSA-N 2 0 228.336 0.333 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662391517 412141667 /nfs/dbraw/zinc/14/16/67/412141667.db2.gz AJLSPMLCBLPMGX-DCAQKATOSA-N 2 0 225.336 0.182 20 0 BCADRP FCC[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000662311039 412094741 /nfs/dbraw/zinc/09/47/41/412094741.db2.gz PXZKANKNEPRIFV-CYBMUJFWSA-N 2 0 243.370 0.963 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000662314411 412096925 /nfs/dbraw/zinc/09/69/25/412096925.db2.gz PABORIIHQOULCV-WOPDTQHZSA-N 2 0 230.352 0.456 20 0 BCADRP CCCCNC(=O)CCN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662325153 412102031 /nfs/dbraw/zinc/10/20/31/412102031.db2.gz IRJSIBGMURPTTM-GHMZBOCLSA-N 2 0 245.342 0.664 20 0 BCADRP CC[C@H](O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324591 412102056 /nfs/dbraw/zinc/10/20/56/412102056.db2.gz YXIWHADUBTWBEW-STQMWFEESA-N 2 0 244.379 0.800 20 0 BCADRP C[NH2+]CCCN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662327348 412104560 /nfs/dbraw/zinc/10/45/60/412104560.db2.gz OEBIBOVRQOMZFZ-CYBMUJFWSA-N 2 0 243.395 0.639 20 0 BCADRP CC12CC(C1)C[N@@H+]2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662338252 412108092 /nfs/dbraw/zinc/10/80/92/412108092.db2.gz PLONFXWDQQVCCJ-CXQJBGSLSA-N 2 0 222.332 0.992 20 0 BCADRP CC[C@@H](O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000218785376 412131856 /nfs/dbraw/zinc/13/18/56/412131856.db2.gz OYFSXHFVBWGJNL-NEPJUHHUSA-N 2 0 230.352 0.194 20 0 BCADRP COCC[N@H+](C)CCCNC(=O)C[NH2+]C(C)C ZINC000662382444 412133143 /nfs/dbraw/zinc/13/31/43/412133143.db2.gz LSOAUYCEJSOAPE-UHFFFAOYSA-N 2 0 245.367 0.069 20 0 BCADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000665236388 412176859 /nfs/dbraw/zinc/17/68/59/412176859.db2.gz LTIUUIYYBSGKCL-NNYUYHANSA-N 2 0 228.336 0.507 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NCC1([NH3+])CCCC1 ZINC000665246600 412178475 /nfs/dbraw/zinc/17/84/75/412178475.db2.gz JLZSKAUEWHIOQN-QWRGUYRKSA-N 2 0 211.353 0.975 20 0 BCADRP OC/C=C\C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000665239596 412179665 /nfs/dbraw/zinc/17/96/65/412179665.db2.gz VEZHHGUWECJEAD-VZKWGMIISA-N 2 0 210.321 0.513 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000662450911 412180222 /nfs/dbraw/zinc/18/02/22/412180222.db2.gz FLZWTPUXXBEIAS-NWDGAFQWSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000665241150 412183489 /nfs/dbraw/zinc/18/34/89/412183489.db2.gz AKGZWHBZUBLEMQ-KWCYVHTRSA-N 2 0 233.359 0.896 20 0 BCADRP C[C@H](N[C@H]1CC[NH2+]C1)c1c[nH+]ccc1N ZINC000665241295 412184274 /nfs/dbraw/zinc/18/42/74/412184274.db2.gz HNPLYHSDSHBZFM-IUCAKERBSA-N 2 0 206.293 0.507 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NCCO[C@@H]1CC1(F)F ZINC000665244592 412187463 /nfs/dbraw/zinc/18/74/63/412187463.db2.gz RJJFYOBCBUTXGJ-KXUCPTDWSA-N 2 0 234.290 0.998 20 0 BCADRP C[C@H](C[NH3+])NC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662553912 412214800 /nfs/dbraw/zinc/21/48/00/412214800.db2.gz NUQQHQQXXTVZCT-SSDOTTSWSA-N 2 0 239.344 0.471 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000662472189 412188430 /nfs/dbraw/zinc/18/84/30/412188430.db2.gz PNYAEUDQBFCNNH-SRVKXCTJSA-N 2 0 241.379 0.926 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000662474103 412188666 /nfs/dbraw/zinc/18/86/66/412188666.db2.gz UCAQWJLEAIWFEK-WOPDTQHZSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)C1C[NH2+]C1 ZINC000665244457 412188851 /nfs/dbraw/zinc/18/88/51/412188851.db2.gz NUMBFTGMUKRXRT-VXNVDRBHSA-N 2 0 220.263 0.608 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000662479325 412189231 /nfs/dbraw/zinc/18/92/31/412189231.db2.gz GGXDBZDFEFXSLG-MNOVXSKESA-N 2 0 245.367 0.195 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000662483224 412190421 /nfs/dbraw/zinc/19/04/21/412190421.db2.gz SSHHFOJVJKUOAI-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000662486458 412190502 /nfs/dbraw/zinc/19/05/02/412190502.db2.gz WKVCSTKFARXVJW-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000662486457 412191382 /nfs/dbraw/zinc/19/13/82/412191382.db2.gz WKVCSTKFARXVJW-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000662497429 412194979 /nfs/dbraw/zinc/19/49/79/412194979.db2.gz IESDRMMPOMUNOJ-QXEWZRGKSA-N 2 0 225.336 0.193 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000662496823 412195037 /nfs/dbraw/zinc/19/50/37/412195037.db2.gz BWZXMRHNENHEEB-CMPLNLGQSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000662498163 412196395 /nfs/dbraw/zinc/19/63/95/412196395.db2.gz PBBITJRCSBZPCK-ADEWGFFLSA-N 2 0 239.363 0.583 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H](CC)[NH2+]C ZINC000662555044 412215166 /nfs/dbraw/zinc/21/51/66/412215166.db2.gz YNSOJBBPNLSUKL-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000662557148 412215720 /nfs/dbraw/zinc/21/57/20/412215720.db2.gz GPXQEHCLECVDFK-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[C@@H]1[NH3+] ZINC000662556563 412215726 /nfs/dbraw/zinc/21/57/26/412215726.db2.gz ALDMDSFGNCBOCD-WYUUTHIRSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H](CNC(=O)c1cccc2c1C[NH2+]C2)[NH+](C)C ZINC000662526271 412205061 /nfs/dbraw/zinc/20/50/61/412205061.db2.gz BGYMJVZBGPAQRO-JTQLQIEISA-N 2 0 247.342 0.970 20 0 BCADRP C[C@H](CNC(=O)c1cccc2c1C[NH2+]C2)[NH+](C)C ZINC000662526273 412205558 /nfs/dbraw/zinc/20/55/58/412205558.db2.gz BGYMJVZBGPAQRO-SNVBAGLBSA-N 2 0 247.342 0.970 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662551138 412208477 /nfs/dbraw/zinc/20/84/77/412208477.db2.gz JQZNMEUMAPWEKL-YTWAJWBKSA-N 2 0 225.336 0.310 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000662542157 412210270 /nfs/dbraw/zinc/21/02/70/412210270.db2.gz KJEGPRGBAMKOSA-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662549412 412212241 /nfs/dbraw/zinc/21/22/41/412212241.db2.gz OTMAQORKJJXANG-FOSCPWQOSA-N 2 0 239.363 0.726 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662392366 412143549 /nfs/dbraw/zinc/14/35/49/412143549.db2.gz TXXKXRBHUZISMV-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662394226 412145022 /nfs/dbraw/zinc/14/50/22/412145022.db2.gz PWMCSYKMGBWBTO-SECBINFHSA-N 2 0 223.320 0.208 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000662398896 412147320 /nfs/dbraw/zinc/14/73/20/412147320.db2.gz KSEIFDVNAUBBKL-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000662398253 412147602 /nfs/dbraw/zinc/14/76/02/412147602.db2.gz SCXKRLJPQVMWFE-GFCCVEGCSA-N 2 0 239.363 0.727 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000662402679 412150111 /nfs/dbraw/zinc/15/01/11/412150111.db2.gz NHEBGOOQISNUPX-QWRGUYRKSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000662403732 412150298 /nfs/dbraw/zinc/15/02/98/412150298.db2.gz OMAKKTXQUTYUDO-AXFHLTTASA-N 2 0 227.352 0.489 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662408819 412151478 /nfs/dbraw/zinc/15/14/78/412151478.db2.gz AYGSEMDBCVPXND-VIFPVBQESA-N 2 0 213.325 0.100 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000662406536 412151867 /nfs/dbraw/zinc/15/18/67/412151867.db2.gz YQBPBTUENCVJRW-ILDUYXDCSA-N 2 0 239.363 0.761 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000662405610 412151983 /nfs/dbraw/zinc/15/19/83/412151983.db2.gz ZPMAILWHBRLGGS-UTLUCORTSA-N 2 0 213.325 0.099 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC1CC[NH+](CC)CC1 ZINC000662408072 412153626 /nfs/dbraw/zinc/15/36/26/412153626.db2.gz PKJRSMNVCMQHPN-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000662410558 412154158 /nfs/dbraw/zinc/15/41/58/412154158.db2.gz SHVIIBQBQLUXIX-KOLCDFICSA-N 2 0 225.336 0.337 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)NC(C)(C)C[NH3+] ZINC000662410464 412154354 /nfs/dbraw/zinc/15/43/54/412154354.db2.gz KDBYQGZSSYHSHV-JTQLQIEISA-N 2 0 229.368 0.851 20 0 BCADRP CC[NH2+]CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662408910 412154907 /nfs/dbraw/zinc/15/49/07/412154907.db2.gz CWLSPBFHYLBTAJ-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP CC[NH2+]CCNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662410887 412155785 /nfs/dbraw/zinc/15/57/85/412155785.db2.gz DNZNSGHLMZZRNS-UHFFFAOYSA-N 2 0 247.342 0.672 20 0 BCADRP CC(C)(C[NH3+])NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662411793 412156055 /nfs/dbraw/zinc/15/60/55/412156055.db2.gz YQBTVKHOBQQRPN-UHFFFAOYSA-N 2 0 247.342 0.799 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662414291 412156665 /nfs/dbraw/zinc/15/66/65/412156665.db2.gz PTNLGTGUQGTOMG-MNOVXSKESA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)c1cccc2c1CC[NH2+]C2 ZINC000662418118 412159704 /nfs/dbraw/zinc/15/97/04/412159704.db2.gz PINALFBVRGEVQP-SNVBAGLBSA-N 2 0 247.342 0.752 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662423970 412162451 /nfs/dbraw/zinc/16/24/51/412162451.db2.gz RHWOSYLGUFZZML-FXPVBKGRSA-N 2 0 213.325 0.213 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000662423999 412164432 /nfs/dbraw/zinc/16/44/32/412164432.db2.gz SBYTUKXWRCNALV-VWYCJHECSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000662426112 412164975 /nfs/dbraw/zinc/16/49/75/412164975.db2.gz SOQSZIOVPGZFPA-ZJUUUORDSA-N 2 0 223.320 0.221 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@H](CC)[NH2+]C)CC1 ZINC000662428379 412165169 /nfs/dbraw/zinc/16/51/69/412165169.db2.gz CIUALLZMDZMUOD-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662429310 412167342 /nfs/dbraw/zinc/16/73/42/412167342.db2.gz ITECJSDWEITZAN-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1O ZINC000665234801 412174444 /nfs/dbraw/zinc/17/44/44/412174444.db2.gz KGUSIXBNGAYLRH-IJLUTSLNSA-N 2 0 230.352 0.633 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC1([NH3+])CCCC1 ZINC000662647691 412255221 /nfs/dbraw/zinc/25/52/21/412255221.db2.gz QXGRGHUQFFUASR-VIFPVBQESA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC1([NH3+])CCCC1 ZINC000662647688 412255231 /nfs/dbraw/zinc/25/52/31/412255231.db2.gz QXGRGHUQFFUASR-SECBINFHSA-N 2 0 213.325 0.372 20 0 BCADRP [NH3+]C1(CNC(=O)C[C@@H]2CCC[NH2+]2)CCCC1 ZINC000662650251 412256141 /nfs/dbraw/zinc/25/61/41/412256141.db2.gz XUINSRCZZXLZLT-JTQLQIEISA-N 2 0 225.336 0.516 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC1([NH3+])CCCC1 ZINC000662648525 412256774 /nfs/dbraw/zinc/25/67/74/412256774.db2.gz IAWUTBCLJNNVRG-RKDXNWHRSA-N 2 0 213.325 0.357 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662664510 412263736 /nfs/dbraw/zinc/26/37/36/412263736.db2.gz YMSFIKZRJGZLKC-SNVBAGLBSA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662666097 412265014 /nfs/dbraw/zinc/26/50/14/412265014.db2.gz QMJONOMEJYDCNN-MGCOHNPYSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000662693947 412267436 /nfs/dbraw/zinc/26/74/36/412267436.db2.gz NGAHYDMMQJUNKN-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662674048 412267461 /nfs/dbraw/zinc/26/74/61/412267461.db2.gz XPOCSIUGDPEKSO-IJLUTSLNSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000662673576 412267541 /nfs/dbraw/zinc/26/75/41/412267541.db2.gz OAXFFAHTGSEJMC-LBPRGKRZSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662680918 412268166 /nfs/dbraw/zinc/26/81/66/412268166.db2.gz OGIOZLYOMNWPEI-UHFFFAOYSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662683656 412269160 /nfs/dbraw/zinc/26/91/60/412269160.db2.gz VJLPTEAYRIHXNG-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662681455 412269687 /nfs/dbraw/zinc/26/96/87/412269687.db2.gz FHGMUFSUHNAKMC-JJOYANBFSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000662682694 412269918 /nfs/dbraw/zinc/26/99/18/412269918.db2.gz RZNWDXGPLARDIS-KKOKHZNYSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]([NH3+])C1CCC1 ZINC000662683941 412270593 /nfs/dbraw/zinc/27/05/93/412270593.db2.gz XNEGQJIQKSQRFN-BSTRBVHOSA-N 2 0 223.320 0.064 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000662685637 412270666 /nfs/dbraw/zinc/27/06/66/412270666.db2.gz WOMLBBABENRCAI-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCCCC[NH+](C)C ZINC000662684116 412270871 /nfs/dbraw/zinc/27/08/71/412270871.db2.gz XPBNHMBRRPKVPP-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(C)(C)[NH3+] ZINC000662694822 412274634 /nfs/dbraw/zinc/27/46/34/412274634.db2.gz UALDXKTUEZFULC-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](CCC)C1 ZINC000662702631 412275381 /nfs/dbraw/zinc/27/53/81/412275381.db2.gz AQJFQWVIHLSBHU-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000662701077 412275653 /nfs/dbraw/zinc/27/56/53/412275653.db2.gz MRXPJGIKVTWZPP-OUAUKWLOSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662703959 412276421 /nfs/dbraw/zinc/27/64/21/412276421.db2.gz XJTKKYPNZDUXCI-GUBZILKMSA-N 2 0 213.325 0.180 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000662703511 412276797 /nfs/dbraw/zinc/27/67/97/412276797.db2.gz LBJZXNIAHCRHFX-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000662707801 412278138 /nfs/dbraw/zinc/27/81/38/412278138.db2.gz IACLIRCRGPZJJG-IJLUTSLNSA-N 2 0 237.347 0.420 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662713868 412279423 /nfs/dbraw/zinc/27/94/23/412279423.db2.gz ZSGJGTVWMGBOAA-MGCOHNPYSA-N 2 0 213.325 0.180 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)CC1([NH3+])CC1 ZINC000662711297 412280134 /nfs/dbraw/zinc/28/01/34/412280134.db2.gz BBGYGLQYXNUGMQ-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP [NH3+]C1(CC(=O)NCC23CC(C2)C[NH2+]3)CCC1 ZINC000662719319 412282364 /nfs/dbraw/zinc/28/23/64/412282364.db2.gz YZVPAFDDFMMWLU-UHFFFAOYSA-N 2 0 223.320 0.126 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662719043 412282389 /nfs/dbraw/zinc/28/23/89/412282389.db2.gz VSTNBMNPBRNGRH-BMQDGWLCSA-N 2 0 225.336 0.243 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662726024 412284315 /nfs/dbraw/zinc/28/43/15/412284315.db2.gz YJZQQXFYLVHETQ-MNOVXSKESA-N 2 0 229.368 0.849 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000662730036 412285764 /nfs/dbraw/zinc/28/57/64/412285764.db2.gz ZCDWIRAYQUQXCI-GHMZBOCLSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C1(C[NH3+])CCCC1 ZINC000662730851 412286866 /nfs/dbraw/zinc/28/68/66/412286866.db2.gz RZQXKEQXVKCSSC-LLVKDONJSA-N 2 0 241.379 0.995 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)CCC[NH3+] ZINC000662730853 412287031 /nfs/dbraw/zinc/28/70/31/412287031.db2.gz SBQHXWKLJHUMON-SECBINFHSA-N 2 0 201.314 0.215 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000662731254 412287115 /nfs/dbraw/zinc/28/71/15/412287115.db2.gz CRXRJZFJZRGYNR-QJPTWQEYSA-N 2 0 241.379 0.994 20 0 BCADRP CC[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[C@H]1[NH3+] ZINC000662556561 412216133 /nfs/dbraw/zinc/21/61/33/412216133.db2.gz ALDMDSFGNCBOCD-QCNOEVLYSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000662556973 412216144 /nfs/dbraw/zinc/21/61/44/412216144.db2.gz XZTPZRQTIMJPKP-VWYCJHECSA-N 2 0 243.351 0.125 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662557519 412216385 /nfs/dbraw/zinc/21/63/85/412216385.db2.gz IOUCLHKNHGQKRB-CHWFTXMASA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000662568722 412216397 /nfs/dbraw/zinc/21/63/97/412216397.db2.gz KIIYNAIJVOMLNM-QWRGUYRKSA-N 2 0 227.352 0.633 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000662568721 412216597 /nfs/dbraw/zinc/21/65/97/412216597.db2.gz KIIYNAIJVOMLNM-MNOVXSKESA-N 2 0 227.352 0.633 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000662556971 412216623 /nfs/dbraw/zinc/21/66/23/412216623.db2.gz XZTPZRQTIMJPKP-DCAQKATOSA-N 2 0 243.351 0.125 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000662560313 412218481 /nfs/dbraw/zinc/21/84/81/412218481.db2.gz IFUUJPHLQOXEMC-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000662560570 412219175 /nfs/dbraw/zinc/21/91/75/412219175.db2.gz JINCFAVBVSUAQD-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662562109 412220172 /nfs/dbraw/zinc/22/01/72/412220172.db2.gz UHCNAAYVTWEBQS-TUAOUCFPSA-N 2 0 239.363 0.701 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000662564877 412220446 /nfs/dbraw/zinc/22/04/46/412220446.db2.gz AVHYEGJRNNEQBN-QWRGUYRKSA-N 2 0 245.367 0.372 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662565932 412221506 /nfs/dbraw/zinc/22/15/06/412221506.db2.gz ASXGSMHGCKCVSS-RKDXNWHRSA-N 2 0 233.315 0.755 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000662568249 412222581 /nfs/dbraw/zinc/22/25/81/412222581.db2.gz PTNSZRKDUPRDHX-DCAQKATOSA-N 2 0 229.368 0.849 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000662567345 412222687 /nfs/dbraw/zinc/22/26/87/412222687.db2.gz UWSQIKPMUSLAGP-SSDOTTSWSA-N 2 0 223.267 0.083 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662568727 412223755 /nfs/dbraw/zinc/22/37/55/412223755.db2.gz QSSAUXQCKAYXOZ-AEJSXWLSSA-N 2 0 213.325 0.357 20 0 BCADRP CC[C@@H](NCC12CC(C1)C[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000665280157 412224838 /nfs/dbraw/zinc/22/48/38/412224838.db2.gz URACJDRLDRHERG-QBHFIFKDSA-N 2 0 223.364 0.859 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C)CCC[NH2+]C ZINC000662574399 412225936 /nfs/dbraw/zinc/22/59/36/412225936.db2.gz HYZGDNTULIDGMB-SECBINFHSA-N 2 0 201.314 0.052 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)CC[NH+]1CCCCC1 ZINC000662583131 412228498 /nfs/dbraw/zinc/22/84/98/412228498.db2.gz BFPZAFAAZNXIIH-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000662584012 412228589 /nfs/dbraw/zinc/22/85/89/412228589.db2.gz JXLNZDCCNOBRSW-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC(CC[NH3+])CC1 ZINC000662583145 412229189 /nfs/dbraw/zinc/22/91/89/412229189.db2.gz BQUWLJAOMPURJL-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000665283493 412230081 /nfs/dbraw/zinc/23/00/81/412230081.db2.gz OTHVHKQPKDQQPG-YNEHKIRRSA-N 2 0 243.395 0.716 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662589735 412232009 /nfs/dbraw/zinc/23/20/09/412232009.db2.gz CZCSHBHGPQIXIV-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662595993 412233610 /nfs/dbraw/zinc/23/36/10/412233610.db2.gz XXULLIVUBYQCQC-LBPRGKRZSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662592388 412233719 /nfs/dbraw/zinc/23/37/19/412233719.db2.gz FUGYABKEJUPCGC-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CC[NH3+])C1 ZINC000662593566 412233930 /nfs/dbraw/zinc/23/39/30/412233930.db2.gz PIEYUOXZLPIFTH-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[C@@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665289072 412235644 /nfs/dbraw/zinc/23/56/44/412235644.db2.gz FSQHBOCBIPQYNR-MRVPVSSYSA-N 2 0 224.308 0.775 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C[C@H]1CCC[NH2+]1 ZINC000662604256 412236652 /nfs/dbraw/zinc/23/66/52/412236652.db2.gz DMZJZKFYHLBXDE-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000662605075 412237558 /nfs/dbraw/zinc/23/75/58/412237558.db2.gz KTXKZRBBUKXSKJ-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]1CCC[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291035 412237877 /nfs/dbraw/zinc/23/78/77/412237877.db2.gz RWNQTQXKNUWARC-WPRPVWTQSA-N 2 0 236.319 0.919 20 0 BCADRP C[C@@H](C(=O)N(C)CC(C)(C)[NH3+])[C@H](C)[NH3+] ZINC000662606070 412237833 /nfs/dbraw/zinc/23/78/33/412237833.db2.gz XWGFJAARPUNLLA-SFYZADRCSA-N 2 0 201.314 0.165 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N(C)CC(C)(C)[NH3+] ZINC000662612351 412241915 /nfs/dbraw/zinc/24/19/15/412241915.db2.gz OOXMNYBBNRVOLF-LLVKDONJSA-N 2 0 215.341 0.700 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N(C)CC(C)(C)[NH3+] ZINC000662612353 412242349 /nfs/dbraw/zinc/24/23/49/412242349.db2.gz OOXMNYBBNRVOLF-NSHDSACASA-N 2 0 215.341 0.700 20 0 BCADRP CC[C@H]([NH2+][C@H](C)C[NH2+]C)[C@H]1CCOC1 ZINC000665295624 412242702 /nfs/dbraw/zinc/24/27/02/412242702.db2.gz GRKPHDPTRUQROY-VWYCJHECSA-N 2 0 200.326 0.999 20 0 BCADRP C[NH2+]C[C@@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000665296688 412244811 /nfs/dbraw/zinc/24/48/11/412244811.db2.gz WLRUUMAVGZGATA-NXEZZACHSA-N 2 0 200.326 0.999 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H](C)[NH3+] ZINC000662619706 412244800 /nfs/dbraw/zinc/24/48/00/412244800.db2.gz NTZPUKMUPLZWRQ-OUAUKWLOSA-N 2 0 241.379 0.959 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOCCF)C1 ZINC000665298933 412247820 /nfs/dbraw/zinc/24/78/20/412247820.db2.gz CHXVCZFRODBHAP-ZJUUUORDSA-N 2 0 204.289 0.832 20 0 BCADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])S(C)(=O)=O ZINC000665298833 412247918 /nfs/dbraw/zinc/24/79/18/412247918.db2.gz ALLXJMWPVRBGPO-KXUCPTDWSA-N 2 0 234.365 0.137 20 0 BCADRP C[NH2+]C[C@H](C)N[C@H](C)c1c[nH+]ccc1N ZINC000665299903 412248045 /nfs/dbraw/zinc/24/80/45/412248045.db2.gz VFSVPVFQJRBQQA-DTWKUNHWSA-N 2 0 208.309 0.753 20 0 BCADRP C[C@@H](CCNC(=O)C1CC[NH2+]CC1)[NH+](C)C ZINC000662632356 412249922 /nfs/dbraw/zinc/24/99/22/412249922.db2.gz CNZHKAMJXRMVMA-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H](CCNC(=O)C[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000662632350 412250024 /nfs/dbraw/zinc/25/00/24/412250024.db2.gz CKNNHRVXWWEBFL-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H](CCNC(=O)C1(C)C[NH2+]C1)[NH+](C)C ZINC000662632748 412250274 /nfs/dbraw/zinc/25/02/74/412250274.db2.gz GUQFSNMRPRIRSU-SECBINFHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H](CCNC(=O)CC1(C[NH3+])CC1)[NH+](C)C ZINC000662633714 412251261 /nfs/dbraw/zinc/25/12/61/412251261.db2.gz OGBBPIDMWZCSFG-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC[C@H](C)[NH+](C)C ZINC000662632920 412251659 /nfs/dbraw/zinc/25/16/59/412251659.db2.gz HTMDFXCQXADLQT-JTQLQIEISA-N 2 0 215.341 0.441 20 0 BCADRP C[C@H](CCNC(=O)CC[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000662636065 412252743 /nfs/dbraw/zinc/25/27/43/412252743.db2.gz XRIBWPFJFDWJQA-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CC3([NH3+])CC3)[C@H]2C1 ZINC000662804640 412306302 /nfs/dbraw/zinc/30/63/02/412306302.db2.gz GEJVKOHQBGSQEI-MNOVXSKESA-N 2 0 237.347 0.420 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)CC3([NH3+])CC3)[C@@H]2C1 ZINC000662804644 412306755 /nfs/dbraw/zinc/30/67/55/412306755.db2.gz GEJVKOHQBGSQEI-WDEREUQCSA-N 2 0 237.347 0.420 20 0 BCADRP CN(C(=O)CC1([NH3+])CC1)[C@H](C[NH3+])C1CC1 ZINC000662815235 412308623 /nfs/dbraw/zinc/30/86/23/412308623.db2.gz PPQNWTAAIZRGJH-SECBINFHSA-N 2 0 211.309 0.064 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)C[C@@]1(C)C[NH3+] ZINC000662813594 412308697 /nfs/dbraw/zinc/30/86/97/412308697.db2.gz AMKILLMUOQKCNW-DNRKLUKYSA-N 2 0 225.336 0.167 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000662815377 412309126 /nfs/dbraw/zinc/30/91/26/412309126.db2.gz DJGMZISLUFFUKI-NEPJUHHUSA-N 2 0 247.342 0.901 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CCC3(CC[NH2+]3)CC2)C1 ZINC000662817586 412309940 /nfs/dbraw/zinc/30/99/40/412309940.db2.gz JZASGQYTZYHGSY-MGCOHNPYSA-N 2 0 223.320 0.078 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000662820794 412310766 /nfs/dbraw/zinc/31/07/66/412310766.db2.gz CSSRNROUAVZORT-GFCCVEGCSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000662826802 412312634 /nfs/dbraw/zinc/31/26/34/412312634.db2.gz MHTBHPLBBXDMFZ-QWKFWESOSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662827377 412312708 /nfs/dbraw/zinc/31/27/08/412312708.db2.gz ILPYLMMUWYSFLE-HAQNSBGRSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000662834894 412315516 /nfs/dbraw/zinc/31/55/16/412315516.db2.gz XUQBSERSXAXWFV-BBBLOLIVSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662837779 412316617 /nfs/dbraw/zinc/31/66/17/412316617.db2.gz KZICEJBNLOMQAC-GMTAPVOTSA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)[C@H](C(=O)N(C)CC(C)(C)[NH3+])[NH+](C)C ZINC000662845070 412319513 /nfs/dbraw/zinc/31/95/13/412319513.db2.gz KFFYAWJOHBVXAV-SNVBAGLBSA-N 2 0 229.368 0.768 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000662844846 412319602 /nfs/dbraw/zinc/31/96/02/412319602.db2.gz FWZLTLBKFWUXNV-QMMMGPOBSA-N 2 0 249.305 0.427 20 0 BCADRP C[C@H](CCNC(=O)C1([NH3+])CCCC1)[NH+](C)C ZINC000662859130 412326323 /nfs/dbraw/zinc/32/63/23/412326323.db2.gz KELIRGJLUKQURE-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H](CCNC(=O)[C@H]1C[C@@H]([NH3+])C1)[NH+](C)C ZINC000662858238 412326410 /nfs/dbraw/zinc/32/64/10/412326410.db2.gz FOKIVGBTEJPIMZ-BBBLOLIVSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]([NH3+])C(C)(C)C)[NH+](C)C ZINC000662858710 412326969 /nfs/dbraw/zinc/32/69/69/412326969.db2.gz HPYHJYLVTVEZHM-NXEZZACHSA-N 2 0 229.368 0.816 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662874951 412331564 /nfs/dbraw/zinc/33/15/64/412331564.db2.gz FJUZUHDWABGCTO-UHFFFAOYSA-N 2 0 232.287 0.057 20 0 BCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C1([NH3+])CC1 ZINC000662886119 412336196 /nfs/dbraw/zinc/33/61/96/412336196.db2.gz BHAUCKUNXADKPC-LLVKDONJSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H](C[NH3+])C1 ZINC000662898076 412338383 /nfs/dbraw/zinc/33/83/83/412338383.db2.gz RIQRLBHWUNATRK-LVEVGFFFSA-N 2 0 237.347 0.038 20 0 BCADRP O=C(NCC12CC(C1)C[NH2+]2)C1([NH2+]C2CC2)CCC1 ZINC000662922433 412346274 /nfs/dbraw/zinc/34/62/74/412346274.db2.gz ADSKAVPDDARPBF-UHFFFAOYSA-N 2 0 249.358 0.529 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C)[NH+](C)C ZINC000662926662 412347078 /nfs/dbraw/zinc/34/70/78/412347078.db2.gz OIALRTNLEOKVHI-VHSXEESVSA-N 2 0 215.341 0.426 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000662924865 412347162 /nfs/dbraw/zinc/34/71/62/412347162.db2.gz KAZHMLHMGHCHIS-MNOVXSKESA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662927406 412348023 /nfs/dbraw/zinc/34/80/23/412348023.db2.gz YOWCFVKUOGEFKY-DBIOUOCHSA-N 2 0 225.336 0.226 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000662944906 412351700 /nfs/dbraw/zinc/35/17/00/412351700.db2.gz ANPWGIZWFRQBHN-DBIOUOCHSA-N 2 0 243.326 0.272 20 0 BCADRP CC[C@]1(C(=O)NC2CCC([NH3+])CC2)CCC[NH2+]1 ZINC000122057766 171710442 /nfs/dbraw/zinc/71/04/42/171710442.db2.gz CKPSKFISZWQEAP-GCZXYKMCSA-N 2 0 239.363 0.905 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000662952742 412352412 /nfs/dbraw/zinc/35/24/12/412352412.db2.gz GCRXFEUMYSRQNM-MFKMUULPSA-N 2 0 247.342 0.425 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC[NH2+]C1 ZINC000377082965 171711277 /nfs/dbraw/zinc/71/12/77/171711277.db2.gz MEXDUDQASQSXAG-WZRBSPASSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@]1(C(=O)NC[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000360468509 171711368 /nfs/dbraw/zinc/71/13/68/171711368.db2.gz WDBKDALHRCGODK-AAEUAGOBSA-N 2 0 239.363 0.492 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)C[NH2+]C ZINC000662954331 412353582 /nfs/dbraw/zinc/35/35/82/412353582.db2.gz UPMFZMJLTLRDBH-YIZRAAEISA-N 2 0 201.314 0.084 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000662954768 412353596 /nfs/dbraw/zinc/35/35/96/412353596.db2.gz ZIOKOFRBQPXZLC-CMPLNLGQSA-N 2 0 235.331 0.453 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000662954532 412353782 /nfs/dbraw/zinc/35/37/82/412353782.db2.gz WBCGRROLJMMJOP-QWRGUYRKSA-N 2 0 241.379 0.736 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000662964436 412356601 /nfs/dbraw/zinc/35/66/01/412356601.db2.gz AYTXSHYPJDQXQU-UWVGGRQHSA-N 2 0 225.336 0.100 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)C[NH2+]C ZINC000662964368 412356748 /nfs/dbraw/zinc/35/67/48/412356748.db2.gz DFGGYCRUKFRCMH-GUBZILKMSA-N 2 0 213.325 0.099 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000662964502 412356860 /nfs/dbraw/zinc/35/68/60/412356860.db2.gz FNKJEWVUQVUCPS-AEJSXWLSSA-N 2 0 213.325 0.099 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000662965157 412357399 /nfs/dbraw/zinc/35/73/99/412357399.db2.gz IDOUFDQTKICAMA-NXEZZACHSA-N 2 0 215.341 0.297 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000662965164 412358119 /nfs/dbraw/zinc/35/81/19/412358119.db2.gz IDOUFDQTKICAMA-ZJUUUORDSA-N 2 0 215.341 0.297 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000662967142 412358249 /nfs/dbraw/zinc/35/82/49/412358249.db2.gz FSMQMGZNAVTDIK-NXEZZACHSA-N 2 0 227.352 0.489 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000662966715 412358413 /nfs/dbraw/zinc/35/84/13/412358413.db2.gz UYDUQGBKGJBKAV-MWLCHTKSSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000662967143 412358603 /nfs/dbraw/zinc/35/86/03/412358603.db2.gz FSMQMGZNAVTDIK-UWVGGRQHSA-N 2 0 227.352 0.489 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000662966308 412358628 /nfs/dbraw/zinc/35/86/28/412358628.db2.gz XGHGYRCQTOELAX-VHSXEESVSA-N 2 0 229.368 0.735 20 0 BCADRP CC[C@@]1(C(=O)N[C@@H](C)C[NH2+]C)CCC[NH2+]1 ZINC000662966695 412359050 /nfs/dbraw/zinc/35/90/50/412359050.db2.gz UQYDXBRDWRWBLH-ONGXEEELSA-N 2 0 213.325 0.243 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663005009 412367970 /nfs/dbraw/zinc/36/79/70/412367970.db2.gz SHYHSMSCSODHLR-LLVKDONJSA-N 2 0 213.325 0.243 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)c1ccccc1CC[NH3+] ZINC000662970047 412360481 /nfs/dbraw/zinc/36/04/81/412360481.db2.gz SYTXEYIVAHWLFH-JTQLQIEISA-N 2 0 235.331 0.526 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662970141 412360667 /nfs/dbraw/zinc/36/06/67/412360667.db2.gz VDQKDJBSBHFVGD-VIFPVBQESA-N 2 0 233.315 0.628 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662744640 412289566 /nfs/dbraw/zinc/28/95/66/412289566.db2.gz BFDJADRTJMQATN-DCAQKATOSA-N 2 0 225.336 0.182 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662748080 412289898 /nfs/dbraw/zinc/28/98/98/412289898.db2.gz KZWFTBVMVVXWRW-IVZWLZJFSA-N 2 0 231.315 0.272 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662748107 412290122 /nfs/dbraw/zinc/29/01/22/412290122.db2.gz LRTWUJOCYPVXSR-NXEZZACHSA-N 2 0 231.315 0.226 20 0 BCADRP C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC000662746706 412290223 /nfs/dbraw/zinc/29/02/23/412290223.db2.gz VXHIZEAKEDMTFN-DCAQKATOSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CC1([NH3+])CC1 ZINC000662754359 412291363 /nfs/dbraw/zinc/29/13/63/412291363.db2.gz LMQOSCTXAVMFGX-MWLCHTKSSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662756924 412292864 /nfs/dbraw/zinc/29/28/64/412292864.db2.gz JVSJOCAZGQHJLN-BDAKNGLRSA-N 2 0 213.325 0.086 20 0 BCADRP CCC[NH2+]CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662759637 412292971 /nfs/dbraw/zinc/29/29/71/412292971.db2.gz AJKCKBPSQJHYBT-UHFFFAOYSA-N 2 0 239.363 0.764 20 0 BCADRP CN(C(=O)[C@H]1C[C@H]([NH3+])C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662762201 412293991 /nfs/dbraw/zinc/29/39/91/412293991.db2.gz UDMXZBCMGHJQLP-IMNBMDOWSA-N 2 0 237.347 0.465 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CC3([NH3+])CC3)C[C@@H]21 ZINC000662765825 412294654 /nfs/dbraw/zinc/29/46/54/412294654.db2.gz IUGAXGLDUYLBOV-GARJFASQSA-N 2 0 237.347 0.454 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662763975 412294927 /nfs/dbraw/zinc/29/49/27/412294927.db2.gz GONFQZFYDFABBL-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1CN(C(=O)CC2([NH3+])CC2)[C@@H](C)C[NH2+]1 ZINC000662764004 412295034 /nfs/dbraw/zinc/29/50/34/412295034.db2.gz HCLNZZJNDHHGJE-IUCAKERBSA-N 2 0 211.309 0.077 20 0 BCADRP [NH3+]CCN(Cc1ccccc1)C(=O)CC1([NH3+])CC1 ZINC000662765265 412295046 /nfs/dbraw/zinc/29/50/46/412295046.db2.gz FPGHUZFBSGAWOE-UHFFFAOYSA-N 2 0 247.342 0.855 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CC1([NH3+])CC1 ZINC000662764003 412295125 /nfs/dbraw/zinc/29/51/25/412295125.db2.gz HCLNZZJNDHHGJE-DTWKUNHWSA-N 2 0 211.309 0.077 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[N@H+](C)CC1 ZINC000662767911 412295771 /nfs/dbraw/zinc/29/57/71/412295771.db2.gz YIHGXXHJZZFUQA-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000662771540 412296637 /nfs/dbraw/zinc/29/66/37/412296637.db2.gz ZRVZKMZRZJLTJP-RKDXNWHRSA-N 2 0 211.309 0.254 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000662770348 412296913 /nfs/dbraw/zinc/29/69/13/412296913.db2.gz UOPPPELRHFAEOF-MNOVXSKESA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000662771538 412297050 /nfs/dbraw/zinc/29/70/50/412297050.db2.gz ZRVZKMZRZJLTJP-DTWKUNHWSA-N 2 0 211.309 0.254 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC000662770794 412297542 /nfs/dbraw/zinc/29/75/42/412297542.db2.gz QZJYZTLINQAEMD-SNVBAGLBSA-N 2 0 239.363 0.714 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000662774657 412297922 /nfs/dbraw/zinc/29/79/22/412297922.db2.gz SSDRUIWOXXAHKE-GXFFZTMASA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000662774180 412297958 /nfs/dbraw/zinc/29/79/58/412297958.db2.gz LZYWVLCVUXJIDX-NXEZZACHSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CC1([NH3+])CC1 ZINC000662772457 412298108 /nfs/dbraw/zinc/29/81/08/412298108.db2.gz FUQCOUSCGQERRA-IUCAKERBSA-N 2 0 211.309 0.125 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000662774182 412298314 /nfs/dbraw/zinc/29/83/14/412298314.db2.gz LZYWVLCVUXJIDX-UWVGGRQHSA-N 2 0 213.325 0.193 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000662778216 412299200 /nfs/dbraw/zinc/29/92/00/412299200.db2.gz FTHDGINRLJRZSA-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CC1([NH3+])CC1 ZINC000662776823 412299359 /nfs/dbraw/zinc/29/93/59/412299359.db2.gz OUAZAIUIPQZMKV-IUCAKERBSA-N 2 0 229.299 0.026 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC1(C)CC[NH2+]CC1 ZINC000662775827 412299398 /nfs/dbraw/zinc/29/93/98/412299398.db2.gz SQTDPMULINXCFW-VIFPVBQESA-N 2 0 213.325 0.243 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000662780932 412299756 /nfs/dbraw/zinc/29/97/56/412299756.db2.gz SNMZQFVDVTUBFS-LSCVPOLPSA-N 2 0 239.363 0.489 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662778281 412299937 /nfs/dbraw/zinc/29/99/37/412299937.db2.gz FTXDXTNSCQHAGN-KYZUINATSA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662780378 412300061 /nfs/dbraw/zinc/30/00/61/412300061.db2.gz PMCHTTXSHHBSMD-GMTAPVOTSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000662999893 412366030 /nfs/dbraw/zinc/36/60/30/412366030.db2.gz CWHVKDUVLJZTTM-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1[NH2+]CCC1(C)C)[C@H](C)[NH3+] ZINC000662785893 412301513 /nfs/dbraw/zinc/30/15/13/412301513.db2.gz WSUFREJMVFETAX-YIZRAAEISA-N 2 0 213.325 0.226 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000662785005 412301548 /nfs/dbraw/zinc/30/15/48/412301548.db2.gz NFQHAIROPPROEV-DCAQKATOSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000662785007 412301600 /nfs/dbraw/zinc/30/16/00/412301600.db2.gz NFQHAIROPPROEV-GMTAPVOTSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662785954 412301775 /nfs/dbraw/zinc/30/17/75/412301775.db2.gz XJQAHEVSHDFHSD-SNVBAGLBSA-N 2 0 239.363 0.905 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662787685 412302765 /nfs/dbraw/zinc/30/27/65/412302765.db2.gz AYQSIVIZTGHBOL-GMTAPVOTSA-N 2 0 225.336 0.276 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCNc2cnccn2)C1 ZINC000572542008 412303021 /nfs/dbraw/zinc/30/30/21/412303021.db2.gz PZMZOFHJBNSQBK-WDEREUQCSA-N 2 0 235.335 0.748 20 0 BCADRP [NH3+]C1(Cc2nc(C3([NH3+])CCCC3)no2)CC1 ZINC000663251224 412401284 /nfs/dbraw/zinc/40/12/84/412401284.db2.gz OPIYQVIYFXQUBJ-UHFFFAOYSA-N 2 0 222.292 0.831 20 0 BCADRP CCn1cc(CN2CC[C@H](C[NH3+])C2)cn1 ZINC000050541314 172165743 /nfs/dbraw/zinc/16/57/43/172165743.db2.gz FXEWWOVLNVGDEZ-SNVBAGLBSA-N 2 0 208.309 0.684 20 0 BCADRP CN(C(=O)C[C@H]1CCC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000364468740 172313834 /nfs/dbraw/zinc/31/38/34/172313834.db2.gz RPPVMQYVEMUYLG-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]CC1 ZINC000364639376 172329271 /nfs/dbraw/zinc/32/92/71/172329271.db2.gz BNUGOZBTLLSSDA-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP CN(C(=O)[C@H]1CCC[NH2+]C1)[C@@H](C[NH3+])C1CC1 ZINC000332171475 172333588 /nfs/dbraw/zinc/33/35/88/172333588.db2.gz UEQHIJFAZRMQQS-QWRGUYRKSA-N 2 0 225.336 0.182 20 0 BCADRP CN(C(=O)[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000336315581 172333605 /nfs/dbraw/zinc/33/36/05/172333605.db2.gz OXZVFWRCYPZEKT-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP CN(C)C(=[NH2+])NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000361803323 172353579 /nfs/dbraw/zinc/35/35/79/172353579.db2.gz IEGDNNCNIRFAQA-FGWVZKOKSA-N 2 0 224.352 0.945 20 0 BCADRP CN(C)C(=O)CC[N@H+](C)C1CC[NH2+]CC1 ZINC000037898272 172357734 /nfs/dbraw/zinc/35/77/34/172357734.db2.gz WRDVOETUVWQJBC-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)CC1CC[NH2+]CC1 ZINC000042288142 172394020 /nfs/dbraw/zinc/39/40/20/172394020.db2.gz JIRSYPWFSLCDQB-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364565333 172394871 /nfs/dbraw/zinc/39/48/71/172394871.db2.gz ZBJQSZJAJKTTPJ-GWCFXTLKSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000055090858 172395731 /nfs/dbraw/zinc/39/57/31/172395731.db2.gz BCWOKFBOXDAREY-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+](C)CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000108894890 172411818 /nfs/dbraw/zinc/41/18/18/172411818.db2.gz WLLGJLZYMSRJGK-UHFFFAOYSA-N 2 0 239.363 0.635 20 0 BCADRP C[NH+](C)CCNC(=O)CCC1CC[NH2+]CC1 ZINC000050931265 172456127 /nfs/dbraw/zinc/45/61/27/172456127.db2.gz PHIKCEMOIZUSEW-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC000336652091 172487681 /nfs/dbraw/zinc/48/76/81/172487681.db2.gz WJIQEXLHWPHMFP-NWDGAFQWSA-N 2 0 212.337 0.906 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)CC[NH3+])C1 ZINC000237045589 172536808 /nfs/dbraw/zinc/53/68/08/172536808.db2.gz SVXNNHQYWNXMIJ-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP C[N@H+](CCCCO)C[C@]1(C)CC[NH2+]C1 ZINC000308881590 172699167 /nfs/dbraw/zinc/69/91/67/172699167.db2.gz QLSGZDNMFSVVPW-LLVKDONJSA-N 2 0 200.326 0.690 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000062853038 173011376 /nfs/dbraw/zinc/01/13/76/173011376.db2.gz LMSYTDMQWROIPN-ZDUSSCGKSA-N 2 0 239.363 0.540 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000020217826 173015144 /nfs/dbraw/zinc/01/51/44/173015144.db2.gz DPIMURVXZCNMNZ-NSHDSACASA-N 2 0 225.336 0.150 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055086427 173015163 /nfs/dbraw/zinc/01/51/63/173015163.db2.gz USUVLJMZWRZAEG-RYUDHWBXSA-N 2 0 239.363 0.668 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000227004739 173015293 /nfs/dbraw/zinc/01/52/93/173015293.db2.gz USUVLJMZWRZAEG-NWDGAFQWSA-N 2 0 239.363 0.668 20 0 BCADRP C[N@H+](C[C@@H](O)CN1CCC[NH+](C)CC1)C1CC1 ZINC000336678711 173018266 /nfs/dbraw/zinc/01/82/66/173018266.db2.gz CXTIWPUKDUBHIX-CYBMUJFWSA-N 2 0 241.379 0.079 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1CO ZINC000305649945 173028326 /nfs/dbraw/zinc/02/83/26/173028326.db2.gz UADKQUVEIVBWKQ-NEPJUHHUSA-N 2 0 212.337 0.927 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000224046505 173030113 /nfs/dbraw/zinc/03/01/13/173030113.db2.gz QYAMNNVLVGAEPJ-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C(C)(C)[NH3+] ZINC000371262370 173032652 /nfs/dbraw/zinc/03/26/52/173032652.db2.gz LGEQTKZOYYBGFR-MNOVXSKESA-N 2 0 239.363 0.809 20 0 BCADRP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C1([NH3+])CC1 ZINC000371262925 173034950 /nfs/dbraw/zinc/03/49/50/173034950.db2.gz RRHFEBNWZHQZOO-GHMZBOCLSA-N 2 0 237.347 0.563 20 0 BCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)[NH3+] ZINC000237085126 173039581 /nfs/dbraw/zinc/03/95/81/173039581.db2.gz VYTJXGFPPFXUSD-JTQLQIEISA-N 2 0 227.352 0.524 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000040673649 173043958 /nfs/dbraw/zinc/04/39/58/173043958.db2.gz KGCRAVLVHMHPOU-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(O)CC1 ZINC000305146958 173051021 /nfs/dbraw/zinc/05/10/21/173051021.db2.gz YQWCFMIEJIZHBQ-NSHDSACASA-N 2 0 212.337 0.927 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C(N)=O)CC1 ZINC000124648396 173051307 /nfs/dbraw/zinc/05/13/07/173051307.db2.gz SVJMIFFHNOCCBJ-LBPRGKRZSA-N 2 0 239.363 0.668 20 0 BCADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000358700482 173051484 /nfs/dbraw/zinc/05/14/84/173051484.db2.gz XPNGYUABLWFWFH-NSHDSACASA-N 2 0 225.336 0.293 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000226394828 173052605 /nfs/dbraw/zinc/05/26/05/173052605.db2.gz RVQQMYVYWKRONE-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH3+] ZINC000333934974 173054814 /nfs/dbraw/zinc/05/48/14/173054814.db2.gz JAGRBYYSZLMISQ-QWRGUYRKSA-N 2 0 240.351 0.213 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CC(F)F ZINC000309221326 173055132 /nfs/dbraw/zinc/05/51/32/173055132.db2.gz YEAFOXKKCHNACM-JGVFFNPUSA-N 2 0 235.278 0.179 20 0 BCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C3C[NH2+]C3)CC[C@H]21 ZINC000227334580 173058856 /nfs/dbraw/zinc/05/88/56/173058856.db2.gz OEALRTFTRUVKTM-CMPLNLGQSA-N 2 0 237.347 0.149 20 0 BCADRP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCC[NH3+] ZINC000371261587 173060588 /nfs/dbraw/zinc/06/05/88/173060588.db2.gz AWGADRZJBCYAAS-RYUDHWBXSA-N 2 0 239.363 0.811 20 0 BCADRP C[N@@H+]1CCN(C(=O)CC[NH2+]C2CC2)CC1(C)C ZINC000104124749 173068118 /nfs/dbraw/zinc/06/81/18/173068118.db2.gz JGLQXBSTIXDRSP-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062893824 173115872 /nfs/dbraw/zinc/11/58/72/173115872.db2.gz ZVAOLTWXVQJDRG-CMPLNLGQSA-N 2 0 225.336 0.054 20 0 BCADRP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000336632470 173144440 /nfs/dbraw/zinc/14/44/40/173144440.db2.gz CAWUWUIGPHGTIR-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000044763033 173145465 /nfs/dbraw/zinc/14/54/65/173145465.db2.gz OINFDZULLPVYOW-LLVKDONJSA-N 2 0 239.363 0.573 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]CCCO)[C@H]2CCC[C@H]21 ZINC000308902257 173152279 /nfs/dbraw/zinc/15/22/79/173152279.db2.gz BOFMZMICLHCMKT-GRYCIOLGSA-N 2 0 212.337 0.831 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]CCCO)[C@H]2CCC[C@@H]21 ZINC000308902260 173153145 /nfs/dbraw/zinc/15/31/45/173153145.db2.gz BOFMZMICLHCMKT-WOPDTQHZSA-N 2 0 212.337 0.831 20 0 BCADRP CN1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCC1=O ZINC000250640025 173194429 /nfs/dbraw/zinc/19/44/29/173194429.db2.gz SWFMGFZMEUDIFH-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP CN1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1=O ZINC000336714621 173196366 /nfs/dbraw/zinc/19/63/66/173196366.db2.gz PEMNCFUCSOABPD-QJPTWQEYSA-N 2 0 237.347 0.434 20 0 BCADRP CNC(=O)CC[N@H+](C)CCn1ccnc1C ZINC000270630460 173246744 /nfs/dbraw/zinc/24/67/44/173246744.db2.gz GKFITIPCQHLIGA-UHFFFAOYSA-N 2 0 224.308 0.259 20 0 BCADRP CNC(=O)CC[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226437662 173247802 /nfs/dbraw/zinc/24/78/02/173247802.db2.gz BTRKKNHTGLXWGY-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP CNC(=O)CC[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000226437668 173248711 /nfs/dbraw/zinc/24/87/11/173248711.db2.gz BTRKKNHTGLXWGY-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP CNC(=O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341174109 173252286 /nfs/dbraw/zinc/25/22/86/173252286.db2.gz FULISBGSNMAROB-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000308845698 173280639 /nfs/dbraw/zinc/28/06/39/173280639.db2.gz AAZMSGHXMYCTPK-SNVBAGLBSA-N 2 0 215.341 0.442 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+]CCC[N@H+](C)CCOC ZINC000359081202 173281736 /nfs/dbraw/zinc/28/17/36/173281736.db2.gz JCYOHYBIHPVQJQ-NSHDSACASA-N 2 0 245.367 0.069 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+]CCC[NH+](C)C ZINC000308582214 173281915 /nfs/dbraw/zinc/28/19/15/173281915.db2.gz GYMBUZSTRXUEKQ-VIFPVBQESA-N 2 0 201.314 0.052 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1CN(C(C)C)C[C@H]1C ZINC000358288763 173282675 /nfs/dbraw/zinc/28/26/75/173282675.db2.gz OHUVEHZWMSBIQW-GRYCIOLGSA-N 2 0 241.379 0.829 20 0 BCADRP CNC(=O)[C@@H](C)C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124942445 173293700 /nfs/dbraw/zinc/29/37/00/173293700.db2.gz QTDUDCQSQJPJMQ-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP CNC(=O)[C@H](C)C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124942623 173301000 /nfs/dbraw/zinc/30/10/00/173301000.db2.gz QTDUDCQSQJPJMQ-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]CC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000237179113 173323776 /nfs/dbraw/zinc/32/37/76/173323776.db2.gz FSPNYDAXTNYQCB-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP C[NH2+]CC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370771177 173327744 /nfs/dbraw/zinc/32/77/44/173327744.db2.gz GCUYCUIBEUDIMM-TUAOUCFPSA-N 2 0 237.347 0.149 20 0 BCADRP C[NH2+]CC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000237271084 173332681 /nfs/dbraw/zinc/33/26/81/173332681.db2.gz QBPBCUTWMURVGJ-SNVBAGLBSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]CC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000166740985 173334326 /nfs/dbraw/zinc/33/43/26/173334326.db2.gz PFJXUTGMOHGMHT-UHFFFAOYSA-N 2 0 235.331 0.949 20 0 BCADRP C[NH2+]CCC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000043604967 173338406 /nfs/dbraw/zinc/33/84/06/173338406.db2.gz TYLSRQXCAWOZNK-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000063166127 173338665 /nfs/dbraw/zinc/33/86/65/173338665.db2.gz XVFQPXLMRZMOLD-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000367648137 173339179 /nfs/dbraw/zinc/33/91/79/173339179.db2.gz FQFGZDSYAPQMKD-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000043605376 173339322 /nfs/dbraw/zinc/33/93/22/173339322.db2.gz ZGPHKGPPRNSOGG-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000375965844 173339537 /nfs/dbraw/zinc/33/95/37/173339537.db2.gz TXHNAVQKFDJBIO-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000367648140 173339603 /nfs/dbraw/zinc/33/96/03/173339603.db2.gz FQFGZDSYAPQMKD-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000375965843 173339555 /nfs/dbraw/zinc/33/95/55/173339555.db2.gz TXHNAVQKFDJBIO-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCC(=O)NCC1([NH+](C)C)CCCC1 ZINC000132428899 173339728 /nfs/dbraw/zinc/33/97/28/173339728.db2.gz NAFMLUGYXIPBMH-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]CCC(=O)NCCCC[NH+](C)C ZINC000041679635 173339914 /nfs/dbraw/zinc/33/99/14/173339914.db2.gz BVAOFZNOTPFZBF-UHFFFAOYSA-N 2 0 201.314 0.054 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000367649240 173340039 /nfs/dbraw/zinc/34/00/39/173340039.db2.gz QSHKUEHSVVYHID-JQWIXIFHSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000367649242 173340226 /nfs/dbraw/zinc/34/02/26/173340226.db2.gz QSHKUEHSVVYHID-ZYHUDNBSSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH2+]CCC(=O)NCC[NH+]1CCCCC1 ZINC000043606346 173340248 /nfs/dbraw/zinc/34/02/48/173340248.db2.gz DEAQATSHIHNMBV-UHFFFAOYSA-N 2 0 213.325 0.198 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000062076401 173340625 /nfs/dbraw/zinc/34/06/25/173340625.db2.gz NUYQJRZHSNKUJD-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000357235580 173340854 /nfs/dbraw/zinc/34/08/54/173340854.db2.gz DFQXHXYKTPMTIU-GFCCVEGCSA-N 2 0 241.379 0.690 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000357236257 173341196 /nfs/dbraw/zinc/34/11/96/173341196.db2.gz CLQZAKGSMHKXOP-UWVGGRQHSA-N 2 0 225.336 0.337 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000357243794 173341271 /nfs/dbraw/zinc/34/12/71/173341271.db2.gz RBJZFSBGHWNYAQ-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+]CCC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000336741967 173341571 /nfs/dbraw/zinc/34/15/71/173341571.db2.gz NUANHEMVXZOTJO-LLVKDONJSA-N 2 0 215.341 0.476 20 0 BCADRP C[NH2+]CCC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367644080 173342219 /nfs/dbraw/zinc/34/22/19/173342219.db2.gz QWSPVVBJVDLLCU-UHFFFAOYSA-N 2 0 234.303 0.275 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000342088652 173342728 /nfs/dbraw/zinc/34/27/28/173342728.db2.gz AFFOBFZDCCHDCR-UHFFFAOYSA-N 2 0 225.336 0.054 20 0 BCADRP C[NH2+]CCCC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000368418236 173342890 /nfs/dbraw/zinc/34/28/90/173342890.db2.gz DNOWAJOSEGIZPW-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]CCCC(=O)NCC[N@H+](C)C(C)C ZINC000054133661 173343763 /nfs/dbraw/zinc/34/37/63/173343763.db2.gz HDOYYPKBVRYCEL-UHFFFAOYSA-N 2 0 215.341 0.442 20 0 BCADRP C[NH2+]CCCC(=O)NCC[N@H+](C)C1CCCC1 ZINC000071378774 173344110 /nfs/dbraw/zinc/34/41/10/173344110.db2.gz BQMQLKNOURNYMO-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH2+]CCCC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000237218266 173345534 /nfs/dbraw/zinc/34/55/34/173345534.db2.gz PCUKMPPMUUKKDI-LBPRGKRZSA-N 2 0 229.368 0.866 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000377126198 173347774 /nfs/dbraw/zinc/34/77/74/173347774.db2.gz JDARYMWKNDEDBH-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000368115585 173347839 /nfs/dbraw/zinc/34/78/39/173347839.db2.gz OPTVBQFJRMHGNG-GHMZBOCLSA-N 2 0 227.352 0.346 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000069803321 173351835 /nfs/dbraw/zinc/35/18/35/173351835.db2.gz LRDILIKLAKGXQT-NSHDSACASA-N 2 0 213.325 0.054 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000372433856 173352101 /nfs/dbraw/zinc/35/21/01/173352101.db2.gz QRFZFKOOUZQTKK-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000237304006 173352167 /nfs/dbraw/zinc/35/21/67/173352167.db2.gz PUHZPHXENMYXTD-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000237203014 173362457 /nfs/dbraw/zinc/36/24/57/173362457.db2.gz OPTBXZBYTIPYGQ-KOLCDFICSA-N 2 0 227.352 0.298 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000237194569 173362540 /nfs/dbraw/zinc/36/25/40/173362540.db2.gz RPGXZIJBPIOUMU-VXGBXAGGSA-N 2 0 241.379 0.690 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000092136854 173362919 /nfs/dbraw/zinc/36/29/19/173362919.db2.gz VQNBTCXWEQNFPR-VXGBXAGGSA-N 2 0 241.379 0.690 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000237230930 173363535 /nfs/dbraw/zinc/36/35/35/173363535.db2.gz KCVFARAJZOQDNF-NXEZZACHSA-N 2 0 215.341 0.332 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(CCCC(=O)OC)C1 ZINC000040598537 173367992 /nfs/dbraw/zinc/36/79/92/173367992.db2.gz FTEXMIDWAFNNAX-NSHDSACASA-N 2 0 228.336 0.871 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000364468530 173369617 /nfs/dbraw/zinc/36/96/17/173369617.db2.gz QTIGVIFOTOKGDH-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000364468529 173370101 /nfs/dbraw/zinc/37/01/01/173370101.db2.gz QTIGVIFOTOKGDH-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CC(C)(C)[NH3+] ZINC000368494211 173371637 /nfs/dbraw/zinc/37/16/37/173371637.db2.gz DZYASMYQQODSOQ-IUCAKERBSA-N 2 0 231.315 0.272 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[NH2+]CC1CC1 ZINC000367374817 173371715 /nfs/dbraw/zinc/37/17/15/173371715.db2.gz MNRFTINWTPTZGX-QWRGUYRKSA-N 2 0 243.326 0.144 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000357356580 173373159 /nfs/dbraw/zinc/37/31/59/173373159.db2.gz RJEZHXYIBJOLAV-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000370793205 173373700 /nfs/dbraw/zinc/37/37/00/173373700.db2.gz JQZPCFDFKOXPEO-JTQLQIEISA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000094460242 173373932 /nfs/dbraw/zinc/37/39/32/173373932.db2.gz FYJQDRFOWVEZEX-QJPTWQEYSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000261551637 173374088 /nfs/dbraw/zinc/37/40/88/173374088.db2.gz QQEITJAYVCHWQL-LPEHRKFASA-N 2 0 213.325 0.051 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000375936009 173374228 /nfs/dbraw/zinc/37/42/28/173374228.db2.gz YKZVBHHWALOWFW-HBNTYKKESA-N 2 0 225.336 0.052 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000237345791 173374562 /nfs/dbraw/zinc/37/45/62/173374562.db2.gz ZRBPADDAGASXQW-QJPTWQEYSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132958834 173374621 /nfs/dbraw/zinc/37/46/21/173374621.db2.gz ZRSYQZAVMJVZQR-AXFHLTTASA-N 2 0 227.352 0.441 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000132959031 173374685 /nfs/dbraw/zinc/37/46/85/173374685.db2.gz ZRSYQZAVMJVZQR-DCAQKATOSA-N 2 0 227.352 0.441 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000357312966 173374777 /nfs/dbraw/zinc/37/47/77/173374777.db2.gz KKTPVRAMKDQNMB-XWLWVQCSSA-N 2 0 227.352 0.345 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000092133319 173375059 /nfs/dbraw/zinc/37/50/59/173375059.db2.gz UQXFLEHCHIZRGR-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@H]1CCCN(CC(=O)NCC2CC2)C1 ZINC000040598591 173378407 /nfs/dbraw/zinc/37/84/07/173378407.db2.gz JTNJVCVYWGVLPU-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000367385759 173379815 /nfs/dbraw/zinc/37/98/15/173379815.db2.gz LCFJXCFTWDBOEQ-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000333840197 173380106 /nfs/dbraw/zinc/38/01/06/173380106.db2.gz OCVANGSFZMAWPT-GHMZBOCLSA-N 2 0 240.351 0.132 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000071146034 173381690 /nfs/dbraw/zinc/38/16/90/173381690.db2.gz DLHBJQSEWMIWGM-GFCCVEGCSA-N 2 0 247.342 0.827 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000261747394 173415628 /nfs/dbraw/zinc/41/56/28/173415628.db2.gz NCTPTHIOZFNUFE-GWCFXTLKSA-N 2 0 235.331 0.585 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333646539 173462827 /nfs/dbraw/zinc/46/28/27/173462827.db2.gz JCMRPHNPGOVSCQ-MNOVXSKESA-N 2 0 240.351 0.132 20 0 BCADRP COCCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336713406 174194033 /nfs/dbraw/zinc/19/40/33/174194033.db2.gz VMGVLLFAKOFIPM-VXGBXAGGSA-N 2 0 212.337 0.954 20 0 BCADRP COCC[NH+](CCOC)CC1CC[NH2+]CC1 ZINC000042442982 174295898 /nfs/dbraw/zinc/29/58/98/174295898.db2.gz JBCNBXSNSJDWTL-UHFFFAOYSA-N 2 0 230.352 0.581 20 0 BCADRP COCCOCCN(C)[C@@H](C[NH3+])C1CC1 ZINC000126708902 174352154 /nfs/dbraw/zinc/35/21/54/174352154.db2.gz ZIQWGGAGCZICJK-NSHDSACASA-N 2 0 216.325 0.319 20 0 BCADRP COCCOCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000070026708 174354050 /nfs/dbraw/zinc/35/40/50/174354050.db2.gz BYRXWMITIGEDKG-LLVKDONJSA-N 2 0 230.352 0.709 20 0 BCADRP COCC[C@@H](C)[NH2+]C[C@H]1CN(C)CCN1C ZINC000082668957 174383591 /nfs/dbraw/zinc/38/35/91/174383591.db2.gz FIYAIIZSMNRWPI-NEPJUHHUSA-N 2 0 229.368 0.247 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000300024664 174561757 /nfs/dbraw/zinc/56/17/57/174561757.db2.gz NBZHROQVAUYCBM-DCAQKATOSA-N 2 0 230.352 0.489 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000128630855 174848981 /nfs/dbraw/zinc/84/89/81/174848981.db2.gz PYYCLVQBMZRGAP-QWHCGFSZSA-N 2 0 243.395 0.637 20 0 BCADRP COc1ccc(C[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000083381508 175106756 /nfs/dbraw/zinc/10/67/56/175106756.db2.gz PJPZZJWHICLCJR-UHFFFAOYSA-N 2 0 249.358 0.690 20 0 BCADRP COc1cccc(C[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000083381507 175264934 /nfs/dbraw/zinc/26/49/34/175264934.db2.gz PQAJUWGIWOKSLQ-UHFFFAOYSA-N 2 0 249.358 0.690 20 0 BCADRP C[C@@H](C(=O)N[C@@H](C)C[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000262518524 175711131 /nfs/dbraw/zinc/71/11/31/175711131.db2.gz HMWADAHRFQJFED-UMNHJUIQSA-N 2 0 235.331 0.786 20 0 BCADRP C[C@@H](CNC(=O)C(C)(C)C[NH3+])C[NH+]1CCCC1 ZINC000062073565 175721340 /nfs/dbraw/zinc/72/13/40/175721340.db2.gz BUJQJOXOZQJKRF-NSHDSACASA-N 2 0 241.379 0.819 20 0 BCADRP C[C@@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000134528791 175723058 /nfs/dbraw/zinc/72/30/58/175723058.db2.gz MLOYHYFKXJPDNS-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC(C)(C)[NH+](C)C ZINC000040807240 175802692 /nfs/dbraw/zinc/80/26/92/175802692.db2.gz PNGIBCFBAIBQCI-MRVPVSSYSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@@H]([NH3+])CCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000373865416 175804888 /nfs/dbraw/zinc/80/48/88/175804888.db2.gz ZLGZCDNOAMZUPW-CKYFFXLPSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C[NH3+] ZINC000237668601 176070371 /nfs/dbraw/zinc/07/03/71/176070371.db2.gz GNHRANFWBIRYRK-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000019685427 176070433 /nfs/dbraw/zinc/07/04/33/176070433.db2.gz BKRZUJOPRFZKLW-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[NH3+])C1 ZINC000237399372 176096719 /nfs/dbraw/zinc/09/67/19/176096719.db2.gz KGLFRKHBXXZUCR-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)C[C@H]1C[NH3+] ZINC000332446904 176159796 /nfs/dbraw/zinc/15/97/96/176159796.db2.gz MHOQTQKOINDETO-JLLWLGSASA-N 2 0 239.363 0.557 20 0 BCADRP C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCCn1ccnc1 ZINC000193599184 176184028 /nfs/dbraw/zinc/18/40/28/176184028.db2.gz JFXNHXHJENTHTF-MNOVXSKESA-N 2 0 236.319 0.387 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000332472012 176185560 /nfs/dbraw/zinc/18/55/60/176185560.db2.gz MOTGRQSKZLUEAK-MIMYLULJSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000043497695 176196178 /nfs/dbraw/zinc/19/61/78/176196178.db2.gz ZEIRHQIIQLMJJI-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH3+] ZINC000333948727 176251626 /nfs/dbraw/zinc/25/16/26/176251626.db2.gz WOYYIXBTNDEQIE-OUAUKWLOSA-N 2 0 240.351 0.069 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000333634353 176252095 /nfs/dbraw/zinc/25/20/95/176252095.db2.gz HECXRELEXXXQQQ-MNOVXSKESA-N 2 0 240.351 0.132 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC000333498283 176252488 /nfs/dbraw/zinc/25/24/88/176252488.db2.gz FBRKREDIHAGJSP-MXWKQRLJSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000188453025 176255109 /nfs/dbraw/zinc/25/51/09/176255109.db2.gz MRLZHHZKDHACDP-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)C[NH2+]1 ZINC000356371884 176255712 /nfs/dbraw/zinc/25/57/12/176255712.db2.gz HHSCLEIEYKYYCB-DBIOUOCHSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1C[N@H+](C)CCN1C[C@H](O)C[NH+](C)C1CC1 ZINC000310353752 176266630 /nfs/dbraw/zinc/26/66/30/176266630.db2.gz QEHAVJJDKOLIPP-DGCLKSJQSA-N 2 0 241.379 0.077 20 0 BCADRP C[C@@H]1C[N@H+](C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000108356758 176267718 /nfs/dbraw/zinc/26/77/18/176267718.db2.gz JNEJUWQHHRHPLY-VXGBXAGGSA-N 2 0 211.353 0.622 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000336778660 176269722 /nfs/dbraw/zinc/26/97/22/176269722.db2.gz LXWNTKSMSLDCTP-PWSUYJOCSA-N 2 0 222.336 0.882 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000362740282 176270328 /nfs/dbraw/zinc/27/03/28/176270328.db2.gz HXWWWPLYMZSOIC-WOPDTQHZSA-N 2 0 239.363 0.347 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH+](C)C ZINC000362357095 176271769 /nfs/dbraw/zinc/27/17/69/176271769.db2.gz DNWZTOFXRNJFJR-MNOVXSKESA-N 2 0 227.352 0.252 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000362877199 176276340 /nfs/dbraw/zinc/27/63/40/176276340.db2.gz RZJVMQKHTCSWBW-GHMZBOCLSA-N 2 0 227.352 0.204 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)C(F)F ZINC000300357259 176278241 /nfs/dbraw/zinc/27/82/41/176278241.db2.gz WQWRWMRROWRHED-IMSYWVGJSA-N 2 0 236.306 0.931 20 0 BCADRP C[C@@H]1C[N@H+](CCOCC[NH3+])CCS1 ZINC000123511704 176292246 /nfs/dbraw/zinc/29/22/46/176292246.db2.gz NNUBDRHUIUQLHG-SECBINFHSA-N 2 0 204.339 0.399 20 0 BCADRP C[C@@H]1COCCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336687602 176332755 /nfs/dbraw/zinc/33/27/55/176332755.db2.gz GNXLAQJPSNTOPU-WCQYABFASA-N 2 0 242.363 0.410 20 0 BCADRP C[C@@H]1COCC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000354409874 176340077 /nfs/dbraw/zinc/34/00/77/176340077.db2.gz LVCBTYJFRDQPTB-NEPJUHHUSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C[NH3+])C1 ZINC000237464026 176361013 /nfs/dbraw/zinc/36/10/13/176361013.db2.gz IRWXSEILVWLIKV-GHMZBOCLSA-N 2 0 227.352 0.429 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H]1C[NH3+] ZINC000331470068 176363417 /nfs/dbraw/zinc/36/34/17/176363417.db2.gz VYYFGUJGVNTYOS-ILAIQSSSSA-N 2 0 225.336 0.165 20 0 BCADRP C[C@@H]1C[C@@H]([N@H+](C)CCOCCO)CCN1C ZINC000123703447 176370566 /nfs/dbraw/zinc/37/05/66/176370566.db2.gz KSHFMARJOHHYHU-NEPJUHHUSA-N 2 0 230.352 0.410 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000178831649 176372354 /nfs/dbraw/zinc/37/23/54/176372354.db2.gz QYWSQJFQXSKTNP-DGCLKSJQSA-N 2 0 247.342 0.724 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000132969972 176372670 /nfs/dbraw/zinc/37/26/70/176372670.db2.gz CGQGCZVXCRJMTL-WOPDTQHZSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000132935821 176374106 /nfs/dbraw/zinc/37/41/06/176374106.db2.gz OKLPOLJOSDOFNG-WOPDTQHZSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000335448767 176374920 /nfs/dbraw/zinc/37/49/20/176374920.db2.gz RZMPJRNAERBYRV-PWSUYJOCSA-N 3 0 211.353 0.716 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333647617 176458214 /nfs/dbraw/zinc/45/82/14/176458214.db2.gz VHVIEJQGGWPCJE-DCAQKATOSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CCC1 ZINC000335451761 487634406 /nfs/dbraw/zinc/63/44/06/487634406.db2.gz GFGVWMZBXVWLCB-GFCCVEGCSA-N 2 0 237.347 0.470 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@]12C[NH2+]C[C@@H]1CCCC2 ZINC000357258657 176661463 /nfs/dbraw/zinc/66/14/63/176661463.db2.gz RQSJMCCWSIOTRS-SCVCMEIPSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCC[NH+]1CCCCC1 ZINC000049575509 176756627 /nfs/dbraw/zinc/75/66/27/176756627.db2.gz ZLTLGNVOLBAXDP-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP C[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000019685430 177097348 /nfs/dbraw/zinc/09/73/48/177097348.db2.gz RMELCCMFNNDZDI-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@H]1CCC[N@H+](CCNC(=O)C2([NH3+])CC2)C1 ZINC000237497741 177097474 /nfs/dbraw/zinc/09/74/74/177097474.db2.gz VCGHZLQITYKZBF-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237498512 177098663 /nfs/dbraw/zinc/09/86/63/177098663.db2.gz RJWZCSDWSCFEJG-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1CCC[C@@](CNC(=O)C[NH3+])([NH+](C)C)C1 ZINC000040670496 177127566 /nfs/dbraw/zinc/12/75/66/177127566.db2.gz NNFNRKIXHDZCIX-CMPLNLGQSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040670654 177143788 /nfs/dbraw/zinc/14/37/88/177143788.db2.gz UFAYGOWCKXXSTQ-GVXVVHGQSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC000336343915 177157579 /nfs/dbraw/zinc/15/75/79/177157579.db2.gz CWGFRCYRYGTVBG-RYUDHWBXSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000367289942 177175164 /nfs/dbraw/zinc/17/51/64/177175164.db2.gz DSDDBRVTALCBFG-IRCOFANPSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000127159550 177175530 /nfs/dbraw/zinc/17/55/30/177175530.db2.gz SJBLJAHBVNDXMC-CMPLNLGQSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000126124234 177175784 /nfs/dbraw/zinc/17/57/84/177175784.db2.gz WTXGSKGCDXAJCA-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH2+]CC1 ZINC000336516378 177185862 /nfs/dbraw/zinc/18/58/62/177185862.db2.gz AHMXZACPQVXXJB-PHIMTYICSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000193170522 177215807 /nfs/dbraw/zinc/21/58/07/177215807.db2.gz LGHKLMXHRLRQAP-BBBLOLIVSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333668326 177220444 /nfs/dbraw/zinc/22/04/44/177220444.db2.gz MRBATDPEVOPWOL-HBNTYKKESA-N 2 0 240.351 0.130 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC[NH2+]1 ZINC000131880709 177224022 /nfs/dbraw/zinc/22/40/22/177224022.db2.gz KPBCFWZXIZCSBO-WCQYABFASA-N 2 0 247.342 0.377 20 0 BCADRP C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000101601172 177239816 /nfs/dbraw/zinc/23/98/16/177239816.db2.gz KDHJJDXICLPTGG-LNFKQOIKSA-N 2 0 200.326 0.686 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000331821207 177240109 /nfs/dbraw/zinc/24/01/09/177240109.db2.gz ZGUDSWHAQZDEOW-NGZCFLSTSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1C[NH2+]C1 ZINC000251553588 177279804 /nfs/dbraw/zinc/27/98/04/177279804.db2.gz BJBZIUQQOFKTFN-JQWIXIFHSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000368004055 177282886 /nfs/dbraw/zinc/28/28/86/177282886.db2.gz BGBHIFUYWGKXGI-HBNTYKKESA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333640046 177283366 /nfs/dbraw/zinc/28/33/66/177283366.db2.gz HZIXCEMVYSXYNC-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@H]1COCCN(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336687604 177288499 /nfs/dbraw/zinc/28/84/99/177288499.db2.gz GNXLAQJPSNTOPU-YPMHNXCESA-N 2 0 242.363 0.410 20 0 BCADRP C[C@H]1C[C@@H]([N@H+](C)CCOCC[NH3+])CCN1C ZINC000357077619 177326918 /nfs/dbraw/zinc/32/69/18/177326918.db2.gz PUNGGDGCWYMTGY-RYUDHWBXSA-N 2 0 229.368 0.376 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C2([NH3+])CCCC2)CC[N@@H+]1C ZINC000132941710 177328161 /nfs/dbraw/zinc/32/81/61/177328161.db2.gz HTUDXGYCEJBVNO-QWRGUYRKSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCO ZINC000036908336 177331006 /nfs/dbraw/zinc/33/10/06/177331006.db2.gz VMAMVINEFZCCMW-OUAUKWLOSA-N 2 0 200.326 0.687 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOCCO ZINC000036908377 177332298 /nfs/dbraw/zinc/33/22/98/177332298.db2.gz AUILJWBNYPIDRC-GRYCIOLGSA-N 2 0 230.352 0.314 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000368011069 177395893 /nfs/dbraw/zinc/39/58/93/177395893.db2.gz WBIKFGRUYYPXAC-WISYIIOYSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333435452 177395946 /nfs/dbraw/zinc/39/59/46/177395946.db2.gz VHVIEJQGGWPCJE-GMTAPVOTSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000377566779 177396166 /nfs/dbraw/zinc/39/61/66/177396166.db2.gz XITPGXKNUYBNMH-GHMZBOCLSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000368006375 177396187 /nfs/dbraw/zinc/39/61/87/177396187.db2.gz MVLCDZYDGWOOPF-IEBDPFPHSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)N[C@H]2CCC[NH2+]C2)[C@@H]1C ZINC000333859234 177396778 /nfs/dbraw/zinc/39/67/78/177396778.db2.gz RQIHRPROKAAMJF-MXWKQRLJSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCCC[NH2+]1 ZINC000368140492 177454745 /nfs/dbraw/zinc/45/47/45/177454745.db2.gz BIUVZECOYZHOKJ-JBLDHEPKSA-N 2 0 243.326 0.335 20 0 BCADRP [NH3+]CCCC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237918157 487638457 /nfs/dbraw/zinc/63/84/57/487638457.db2.gz ZMKHLLUFHNNIGR-SNVBAGLBSA-N 2 0 213.325 0.231 20 0 BCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000167659933 487641479 /nfs/dbraw/zinc/64/14/79/487641479.db2.gz KTQCAYYXICGKOY-RYUDHWBXSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000383596265 487643519 /nfs/dbraw/zinc/64/35/19/487643519.db2.gz PDWQAXMQRAQROS-YNEHKIRRSA-N 2 0 244.379 0.702 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)[NH+](C)C ZINC000674920112 487644689 /nfs/dbraw/zinc/64/46/89/487644689.db2.gz JRKCCGBXXKDLLL-WDEREUQCSA-N 2 0 227.352 0.489 20 0 BCADRP C[NH+](C)C/C=C/C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000492110591 225935018 /nfs/dbraw/zinc/93/50/18/225935018.db2.gz PIMWWJTVQRIWIR-WMADIVHISA-N 2 0 239.363 0.657 20 0 BCADRP C[NH+](C)C/C=C/C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000493025394 226106909 /nfs/dbraw/zinc/10/69/09/226106909.db2.gz OPZRNBXRVFNHME-VOTSOKGWSA-N 2 0 239.363 0.657 20 0 BCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)/C=C/C[NH+](C)C ZINC000493172123 226145787 /nfs/dbraw/zinc/14/57/87/226145787.db2.gz PGNQEPCXNJJDIQ-WAFBPQNNSA-N 2 0 239.363 0.657 20 0 BCADRP C[C@@H]1[C@H](C)N(C(=O)C=Cc2c[nH]cn2)CC[N@H+]1C ZINC000493364568 226196434 /nfs/dbraw/zinc/19/64/34/226196434.db2.gz GSBPOQFHDDMRME-KWKBKKAHSA-N 2 0 248.330 0.974 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC000493799399 226254571 /nfs/dbraw/zinc/25/45/71/226254571.db2.gz VBXKHRVHSLRHFD-UWVGGRQHSA-N 2 0 227.352 0.748 20 0 BCADRP C[NH+](C)C/C=C\C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000493824458 226255921 /nfs/dbraw/zinc/25/59/21/226255921.db2.gz OQURKDODUXEWPJ-KBIXYVOKSA-N 2 0 237.347 0.267 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000494558194 226266437 /nfs/dbraw/zinc/26/64/37/226266437.db2.gz PFWRJVHLWPLTNE-VXGBXAGGSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H](NCCN1CCSCC1)[C@@H]1CCC[NH2+]1 ZINC000400330764 226340495 /nfs/dbraw/zinc/34/04/95/226340495.db2.gz BTMWQBFWUIEUOK-RYUDHWBXSA-N 2 0 243.420 0.765 20 0 BCADRP C[C@H](NCC1=CC[N@H+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000400560767 226346355 /nfs/dbraw/zinc/34/63/55/226346355.db2.gz HUKSSWOPPBAOOB-WCQYABFASA-N 3 0 223.364 0.978 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC/C=C\C[NH3+] ZINC000669588491 487657403 /nfs/dbraw/zinc/65/74/03/487657403.db2.gz NBWNQCMADNMVAP-GZTOBOFZSA-N 2 0 242.367 0.529 20 0 BCADRP O[C@@H]1CCCC[C@H]1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000328329315 487657957 /nfs/dbraw/zinc/65/79/57/487657957.db2.gz HAKBZMWXOBCITC-WUHRBBMRSA-N 2 0 224.348 0.689 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H]1CO ZINC000383678064 487660136 /nfs/dbraw/zinc/66/01/36/487660136.db2.gz QAKJOYJECHYFAV-FRRDWIJNSA-N 2 0 244.379 0.390 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC000335720945 487661680 /nfs/dbraw/zinc/66/16/80/487661680.db2.gz UWOOMEXHQMZJMF-ZJUUUORDSA-N 2 0 225.336 0.644 20 0 BCADRP CCOCC[N@H+](CC)C[C@H]1CC[NH2+]C1 ZINC000082537264 487664399 /nfs/dbraw/zinc/66/43/99/487664399.db2.gz OIYHXKPNVBOQGD-NSHDSACASA-N 2 0 200.326 0.954 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000238151748 487664671 /nfs/dbraw/zinc/66/46/71/487664671.db2.gz DXRPXNHEHUFGPH-GHMZBOCLSA-N 2 0 225.336 0.102 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000238151432 487664982 /nfs/dbraw/zinc/66/49/82/487664982.db2.gz XLRNGHMXHWWJSQ-MNOVXSKESA-N 2 0 225.336 0.244 20 0 BCADRP COc1ccc2c(c1)OC[C@@H]([NH2+]CCC[NH3+])C2 ZINC000415113002 487667952 /nfs/dbraw/zinc/66/79/52/487667952.db2.gz SDNFMQKZFNQDAQ-NSHDSACASA-N 2 0 236.315 0.937 20 0 BCADRP C[N@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCCOC1 ZINC000082545995 487669377 /nfs/dbraw/zinc/66/93/77/487669377.db2.gz BXPNVNOKMNZLPR-RYUDHWBXSA-N 2 0 212.337 0.954 20 0 BCADRP [NH3+]CCCNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000087618511 487672544 /nfs/dbraw/zinc/67/25/44/487672544.db2.gz QRTJRWGOXJSWFQ-LBPRGKRZSA-N 2 0 233.315 0.338 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH+](C)C ZINC000174591574 229387234 /nfs/dbraw/zinc/38/72/34/229387234.db2.gz CUXSEAFVQSXQGU-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H](C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)[NH+](C)C ZINC000675147480 487672872 /nfs/dbraw/zinc/67/28/72/487672872.db2.gz SKSUMVOXBFYTAB-NHCYSSNCSA-N 2 0 239.363 0.535 20 0 BCADRP CC[C@@H](O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000204600131 487673256 /nfs/dbraw/zinc/67/32/56/487673256.db2.gz QNXXKLIHLFYSNJ-VQXHTEKXSA-N 2 0 200.326 0.864 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000186781144 487674506 /nfs/dbraw/zinc/67/45/06/487674506.db2.gz YFIQDZNLTOCVQN-VLEAKVRGSA-N 2 0 225.336 0.228 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000659444843 487681301 /nfs/dbraw/zinc/68/13/01/487681301.db2.gz AIJHEECRRALHLK-VHSXEESVSA-N 2 0 230.356 0.234 20 0 BCADRP CC(C)OCC[N@H+](C)CCOCC[NH3+] ZINC000087978057 487693471 /nfs/dbraw/zinc/69/34/71/487693471.db2.gz YVIXQKHSFZDRFE-UHFFFAOYSA-N 2 0 204.314 0.319 20 0 BCADRP C[N@H+](CCNC(=O)CC(C)(C)[NH3+])C1CC1 ZINC000082772586 487696522 /nfs/dbraw/zinc/69/65/22/487696522.db2.gz LCISADJNEYUEQC-UHFFFAOYSA-N 2 0 213.325 0.324 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000398949783 262772910 /nfs/dbraw/zinc/77/29/10/262772910.db2.gz BHHWLVGBIVJJMF-GHMZBOCLSA-N 2 0 225.336 0.324 20 0 BCADRP CC1(C)C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CO1 ZINC000396537574 262805400 /nfs/dbraw/zinc/80/54/00/262805400.db2.gz QGNUALXGKPNNTJ-NEPJUHHUSA-N 2 0 242.363 0.600 20 0 BCADRP C[N@H+](CCCF)CCN1CC[NH2+]CC1 ZINC000088026350 487699640 /nfs/dbraw/zinc/69/96/40/487699640.db2.gz ROQIOQOZCQMBLD-UHFFFAOYSA-N 2 0 203.305 0.183 20 0 BCADRP CC(C)[C@H](C(=O)NCC[NH2+]C1CC1)[NH+](C)C ZINC000151513295 487701894 /nfs/dbraw/zinc/70/18/94/487701894.db2.gz GTTOFAYMERXIAZ-LLVKDONJSA-N 2 0 227.352 0.441 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000353423246 487704150 /nfs/dbraw/zinc/70/41/50/487704150.db2.gz COIQECNTXWANKJ-WYUUTHIRSA-N 2 0 239.363 0.761 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000669403143 487705851 /nfs/dbraw/zinc/70/58/51/487705851.db2.gz LNNXRIFHCDYQRB-WDEREUQCSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)[C@H](C)[NH3+] ZINC000669403382 487706554 /nfs/dbraw/zinc/70/65/54/487706554.db2.gz YACIAUWNPCLLHS-IVZWLZJFSA-N 2 0 228.340 0.116 20 0 BCADRP O=C(NC[C@H]1CCCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000033792078 487707386 /nfs/dbraw/zinc/70/73/86/487707386.db2.gz OHMZVNUOFZJEOH-GHMZBOCLSA-N 2 0 225.336 0.387 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[NH2+]CC1(C)C ZINC000309272872 487708060 /nfs/dbraw/zinc/70/80/60/487708060.db2.gz LNIIIDKHJMUCDG-UHFFFAOYSA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+]CCC[NH2+]CCn1cnc2ccccc21 ZINC000163291702 487708184 /nfs/dbraw/zinc/70/81/84/487708184.db2.gz OZJONIOVJVQDTN-UHFFFAOYSA-N 2 0 218.304 0.975 20 0 BCADRP CCC[NH+]1CCC(NCC2([NH3+])CC2)CC1 ZINC000902415254 584589371 /nfs/dbraw/zinc/58/93/71/584589371.db2.gz MOEUVRIDCHVMAG-UHFFFAOYSA-N 2 0 211.353 0.942 20 0 BCADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000082667497 487713462 /nfs/dbraw/zinc/71/34/62/487713462.db2.gz CMOOOBWTAWNNDN-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH+](C)CCCC[NH2+][C@H]1CCCNC(=O)C1 ZINC000082667543 487715323 /nfs/dbraw/zinc/71/53/23/487715323.db2.gz UDGPZMXTKQBEOS-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH+](C)C ZINC000674244807 487717543 /nfs/dbraw/zinc/71/75/43/487717543.db2.gz WPRMXELVDVERHM-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH+](C)C ZINC000674244808 487717794 /nfs/dbraw/zinc/71/77/94/487717794.db2.gz WPRMXELVDVERHM-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP COCC[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336714129 487721423 /nfs/dbraw/zinc/72/14/23/487721423.db2.gz VVOQXJQEHMYUTL-TUAOUCFPSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662824991 487722923 /nfs/dbraw/zinc/72/29/23/487722923.db2.gz XLKBFRNUQSQUNK-UWVGGRQHSA-N 2 0 239.363 0.903 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)CC(C)(C)[NH3+] ZINC000082771535 487727967 /nfs/dbraw/zinc/72/79/67/487727967.db2.gz DFRMHVRCTLLTDA-UHFFFAOYSA-N 2 0 229.368 0.818 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)CC(C)(C)[NH3+] ZINC000082772240 487730385 /nfs/dbraw/zinc/73/03/85/487730385.db2.gz NKEJZTPQNPSUCO-UHFFFAOYSA-N 2 0 215.341 0.570 20 0 BCADRP C[N@H+](C[C@H]1CC[NH2+]C1)C[C@H]1CCCOC1 ZINC000250356395 487730933 /nfs/dbraw/zinc/73/09/33/487730933.db2.gz BXPNVNOKMNZLPR-NWDGAFQWSA-N 2 0 212.337 0.954 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000250362090 487731067 /nfs/dbraw/zinc/73/10/67/487731067.db2.gz UTWDVPHCGCRNSY-NWDGAFQWSA-N 2 0 211.353 0.622 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CC1 ZINC000226397354 487731242 /nfs/dbraw/zinc/73/12/42/487731242.db2.gz URFJDLVGNSNWJO-NEPJUHHUSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)CC(C)(C)[NH3+] ZINC000226396623 487731353 /nfs/dbraw/zinc/73/13/53/487731353.db2.gz FMROUTSKERTRSO-JTQLQIEISA-N 2 0 229.368 0.960 20 0 BCADRP C[C@H](CNC(=O)CC1([NH3+])CCC1)[N@H+](C)C1CC1 ZINC000226399559 487734148 /nfs/dbraw/zinc/73/41/48/487734148.db2.gz ZHBITDNEGQYLFR-SNVBAGLBSA-N 2 0 239.363 0.857 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226403714 487734356 /nfs/dbraw/zinc/73/43/56/487734356.db2.gz HOZUDCICINUDKJ-LPEHRKFASA-N 2 0 213.325 0.323 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000662851704 487737261 /nfs/dbraw/zinc/73/72/61/487737261.db2.gz CDMJARQJMIABCZ-SNVBAGLBSA-N 2 0 239.363 0.857 20 0 BCADRP O=C1CC[C@@H]2C[N@H+](C[C@H]3CC[NH2+]C3)CC[C@@H]2N1 ZINC000250680151 487739393 /nfs/dbraw/zinc/73/93/93/487739393.db2.gz XXXZBBWWRRQJPX-TUAOUCFPSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H]1CN(C(=O)CC2([NH3+])CCC2)CC[NH2+]1 ZINC000155227933 487739498 /nfs/dbraw/zinc/73/94/98/487739498.db2.gz WCPAHRMLEQESOP-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)CCC[NH3+] ZINC000155244587 487740252 /nfs/dbraw/zinc/74/02/52/487740252.db2.gz IMLPWSGYQLPZTO-IUCAKERBSA-N 2 0 201.314 0.167 20 0 BCADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC000076453490 487741839 /nfs/dbraw/zinc/74/18/39/487741839.db2.gz RXFYIRWIPGXFBJ-GHMZBOCLSA-N 2 0 200.326 0.689 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662876116 487743680 /nfs/dbraw/zinc/74/36/80/487743680.db2.gz QPYYERDMOVXCED-QUNCOHTASA-N 2 0 237.347 0.324 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000082920086 487752594 /nfs/dbraw/zinc/75/25/94/487752594.db2.gz PMRZEWXXYXUVPE-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C1C[C@@H]2C[C@H](N[C@H]3CC[NH2+]C3)CC[N@@H+]2C1 ZINC000251324570 487753638 /nfs/dbraw/zinc/75/36/38/487753638.db2.gz OMHPFRBJLVWDAJ-GRYCIOLGSA-N 2 0 209.337 0.565 20 0 BCADRP C[C@@H](C(=O)NCC1([NH+](C)C)CCCC1)[NH+](C)C ZINC000674285831 487775628 /nfs/dbraw/zinc/77/56/28/487775628.db2.gz GUTIBHCBZNHHKR-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@H]1C[N@H+](CCN2CCOCC2)CC[C@H]1[NH3+] ZINC000251615157 487777530 /nfs/dbraw/zinc/77/75/30/487777530.db2.gz DTDSHGXQDVSXRB-QWHCGFSZSA-N 2 0 241.379 0.378 20 0 BCADRP C[C@@H](C(=O)NCC1CC[NH+](C)CC1)[NH+](C)C ZINC000674288327 487779693 /nfs/dbraw/zinc/77/96/93/487779693.db2.gz XFPRPRRSCQAVGG-JTQLQIEISA-N 2 0 227.352 0.395 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H](C)[NH3+] ZINC000669416332 487798618 /nfs/dbraw/zinc/79/86/18/487798618.db2.gz NDGNASWTPXSMLH-ZJUUUORDSA-N 2 0 230.356 0.363 20 0 BCADRP C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCC[NH3+] ZINC000414745107 487822337 /nfs/dbraw/zinc/82/23/37/487822337.db2.gz PBALKYKNSPEJLI-OUAUKWLOSA-N 2 0 200.326 0.817 20 0 BCADRP CO[C@]1(C[NH2+]C[C@H]2CCC[N@H+](C)C2)CCOC1 ZINC000229120359 487822656 /nfs/dbraw/zinc/82/26/56/487822656.db2.gz IMQXUQKSDLYBRK-OLZOCXBDSA-N 2 0 242.363 0.723 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000572833876 487832407 /nfs/dbraw/zinc/83/24/07/487832407.db2.gz PWJDQOZTKFSSRQ-RYUDHWBXSA-N 2 0 225.336 0.326 20 0 BCADRP CC(=O)N[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000252799738 487834377 /nfs/dbraw/zinc/83/43/77/487834377.db2.gz TXMFKVOEKPZTEA-OLZOCXBDSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000389891711 487844786 /nfs/dbraw/zinc/84/47/86/487844786.db2.gz OAPRNXBACKJOBY-RKDXNWHRSA-N 2 0 249.305 0.569 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000659538545 487848171 /nfs/dbraw/zinc/84/81/71/487848171.db2.gz OITJKQIUGPKDBG-ZJUUUORDSA-N 2 0 242.367 0.635 20 0 BCADRP COC[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000234697832 487856218 /nfs/dbraw/zinc/85/62/18/487856218.db2.gz IRTYMMGYNXFSPS-CYBMUJFWSA-N 2 0 241.379 0.250 20 0 BCADRP C[C@@H]1C[NH+](C[C@H]2CNCCO2)C[C@@H](C)S1 ZINC000226682828 487857325 /nfs/dbraw/zinc/85/73/25/487857325.db2.gz GXPMSKBXEJMHPY-GMTAPVOTSA-N 2 0 230.377 0.801 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000648122098 487860642 /nfs/dbraw/zinc/86/06/42/487860642.db2.gz JTYQOLBNQSRBOQ-KJPMQGKISA-N 2 0 223.320 0.123 20 0 BCADRP COC[C@H](C[NH+]1CCC([NH3+])CC1)OC ZINC000234701588 487863257 /nfs/dbraw/zinc/86/32/57/487863257.db2.gz PXOXLRWVPDFRDQ-JTQLQIEISA-N 2 0 202.298 0.071 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)OC ZINC000234723475 487868121 /nfs/dbraw/zinc/86/81/21/487868121.db2.gz FYIJHMOIHBBUTD-NXEZZACHSA-N 2 0 204.314 0.365 20 0 BCADRP C[C@]1(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CCC[NH2+]1 ZINC000518360965 322961941 /nfs/dbraw/zinc/96/19/41/322961941.db2.gz HWXKUTMCOLSZBJ-MRBYEJRBSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000569603556 322972431 /nfs/dbraw/zinc/97/24/31/322972431.db2.gz RJSASJYUNOAJFW-AXFHLTTASA-N 2 0 227.352 0.617 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000564956301 322979982 /nfs/dbraw/zinc/97/99/82/322979982.db2.gz LSZHMJWESSINIB-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)CC(N)=O ZINC000652220539 487884692 /nfs/dbraw/zinc/88/46/92/487884692.db2.gz CPQJWXWVEKFTDY-LLVKDONJSA-N 2 0 229.368 0.818 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652220534 487884742 /nfs/dbraw/zinc/88/47/42/487884742.db2.gz CLCQNTROEJFYHY-RKDXNWHRSA-N 2 0 228.340 0.150 20 0 BCADRP C[C@@H](NC(=O)NCCC1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000652220844 487885664 /nfs/dbraw/zinc/88/56/64/487885664.db2.gz KQZVUSKHSPOTNN-VHSXEESVSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)NCCC1CC[NH2+]CC1 ZINC000652220843 487885774 /nfs/dbraw/zinc/88/57/74/487885774.db2.gz KQZVUSKHSPOTNN-UWVGGRQHSA-N 2 0 242.367 0.411 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655514495 487887212 /nfs/dbraw/zinc/88/72/12/487887212.db2.gz RSPYZXOQZFAGGW-SSDOTTSWSA-N 2 0 241.257 0.334 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655516257 487898240 /nfs/dbraw/zinc/89/82/40/487898240.db2.gz QVSAXWDXUXLMSW-NTSWFWBYSA-N 2 0 227.230 0.120 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CC2)C1 ZINC000666913128 487903159 /nfs/dbraw/zinc/90/31/59/487903159.db2.gz DOQHNVAJAORCCK-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2C[C@H](F)CN2)CC[NH2+]1 ZINC000666947580 487911627 /nfs/dbraw/zinc/91/16/27/487911627.db2.gz BOWPRVCGHILERM-RHYQMDGZSA-N 2 0 229.343 0.664 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([C@H](C)O)C1 ZINC000582554319 487916821 /nfs/dbraw/zinc/91/68/21/487916821.db2.gz JQIAJSZTEKLHHI-XQQFMLRXSA-N 2 0 244.379 0.392 20 0 BCADRP CC[NH+](CC)CCCNC(=O)NC[C@@H](C)[NH3+] ZINC000668546049 487919645 /nfs/dbraw/zinc/91/96/45/487919645.db2.gz XOUUELLBAGZPFH-SNVBAGLBSA-N 2 0 230.356 0.365 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000194842442 487920266 /nfs/dbraw/zinc/92/02/66/487920266.db2.gz LRDIKYWFNFYDOM-JOYOIKCWSA-N 2 0 233.315 0.337 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@H](C)C[NH3+] ZINC000417305223 487923549 /nfs/dbraw/zinc/92/35/49/487923549.db2.gz VULYYNUFHIMWFH-WDEREUQCSA-N 2 0 244.383 0.705 20 0 BCADRP C[NH+](C)C1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000653493387 487926717 /nfs/dbraw/zinc/92/67/17/487926717.db2.gz UQJCUDPLWMNGFI-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000157850093 487927023 /nfs/dbraw/zinc/92/70/23/487927023.db2.gz UDPUGIAJTPPTKU-WDEREUQCSA-N 2 0 227.352 0.583 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000157850361 487927285 /nfs/dbraw/zinc/92/72/85/487927285.db2.gz UDPUGIAJTPPTKU-QWRGUYRKSA-N 2 0 227.352 0.583 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000449144302 487931674 /nfs/dbraw/zinc/93/16/74/487931674.db2.gz SPDQQNHQZSHMJW-AXFHLTTASA-N 2 0 227.352 0.748 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396427569 487933418 /nfs/dbraw/zinc/93/34/18/487933418.db2.gz BQCVKNRGGFMWDG-ZJUUUORDSA-N 2 0 227.352 0.441 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000652364275 487934123 /nfs/dbraw/zinc/93/41/23/487934123.db2.gz CHWFBXTZCHZGCP-ZJUUUORDSA-N 2 0 234.290 0.688 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000652364272 487934197 /nfs/dbraw/zinc/93/41/97/487934197.db2.gz CHWFBXTZCHZGCP-NXEZZACHSA-N 2 0 234.290 0.688 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000235227678 487936649 /nfs/dbraw/zinc/93/66/49/487936649.db2.gz TWKJCGDIAOIBMA-BBBLOLIVSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000659556507 487940321 /nfs/dbraw/zinc/94/03/21/487940321.db2.gz UIHZXHSWCQXIEV-GARJFASQSA-N 2 0 244.383 0.785 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC([NH3+])CC1 ZINC000653042800 487943575 /nfs/dbraw/zinc/94/35/75/487943575.db2.gz FDXMNHXXBMFVAU-GXSJLCMTSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000569378231 322965021 /nfs/dbraw/zinc/96/50/21/322965021.db2.gz KZVMBZCPWSQUGQ-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]CCCCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000569482892 322967770 /nfs/dbraw/zinc/96/77/70/322967770.db2.gz XUYLPJJEVFUTGE-LBPRGKRZSA-N 2 0 235.331 0.932 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000566205998 322969122 /nfs/dbraw/zinc/96/91/22/322969122.db2.gz FOUYEHYTTLQCCM-PHIMTYICSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000566216322 322970495 /nfs/dbraw/zinc/97/04/95/322970495.db2.gz DQOKTMUMAMGXMB-YUMQZZPRSA-N 2 0 222.292 0.873 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000569604870 322972409 /nfs/dbraw/zinc/97/24/09/322972409.db2.gz COPBMGVYENNFST-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)([NH3+])CN[C@H](CC[NH3+])C(F)(F)F ZINC000564973867 322985381 /nfs/dbraw/zinc/98/53/81/322985381.db2.gz ZXDXBLDRWCFINI-ZCFIWIBFSA-N 2 0 213.247 0.593 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000561181323 322996650 /nfs/dbraw/zinc/99/66/50/322996650.db2.gz CPLQIHXSOQIPGJ-NSHDSACASA-N 2 0 227.352 0.762 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[C@@H]1[NH3+] ZINC000564726333 323010173 /nfs/dbraw/zinc/01/01/73/323010173.db2.gz PHMPWIKVZVLSBB-MFKMUULPSA-N 2 0 247.342 0.955 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000566796267 323014965 /nfs/dbraw/zinc/01/49/65/323014965.db2.gz SJLDFFHILBHAKX-RDFFEMEHSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000397489215 323021205 /nfs/dbraw/zinc/02/12/05/323021205.db2.gz YFHPTMYRXFFLMR-IJLUTSLNSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000562805382 323030941 /nfs/dbraw/zinc/03/09/41/323030941.db2.gz OGFCSGRCTBVYJH-WDEREUQCSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)NCC1([NH3+])CCC1 ZINC000569677209 323036577 /nfs/dbraw/zinc/03/65/77/323036577.db2.gz AOBYJTABOOLSDI-UHFFFAOYSA-N 2 0 242.367 0.555 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H]2CCCCC[NH2+]2)CCC1 ZINC000572976192 323038042 /nfs/dbraw/zinc/03/80/42/323038042.db2.gz KSVVSKWRZYHLHJ-JTQLQIEISA-N 2 0 225.336 0.516 20 0 BCADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000569727843 323039052 /nfs/dbraw/zinc/03/90/52/323039052.db2.gz UVVJLZQVQLDAPO-UWVGGRQHSA-N 2 0 215.341 0.569 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C[NH+]1CCC(C)CC1 ZINC000569728524 323039244 /nfs/dbraw/zinc/03/92/44/323039244.db2.gz OFTUJCYZDXTCJE-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC)[C@@H](C)C1 ZINC000569738335 323039403 /nfs/dbraw/zinc/03/94/03/323039403.db2.gz AWDRMPHOTXHAPS-AVGNSLFASA-N 2 0 244.379 0.656 20 0 BCADRP O=C(C1CC[NH2+]CC1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000572603546 323039764 /nfs/dbraw/zinc/03/97/64/323039764.db2.gz KNXFPYPHGSFKLV-NWDGAFQWSA-N 2 0 237.347 0.196 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000569938105 323044923 /nfs/dbraw/zinc/04/49/23/323044923.db2.gz SFWJSRACXGTVNB-VHSXEESVSA-N 2 0 214.309 0.751 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000570042895 323048360 /nfs/dbraw/zinc/04/83/60/323048360.db2.gz ZEXMNBSLQJBFDP-WZRBSPASSA-N 2 0 247.342 0.882 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N(C)CCC[NH3+] ZINC000570147435 323051052 /nfs/dbraw/zinc/05/10/52/323051052.db2.gz YXGHAQNBZYOGFI-UHFFFAOYSA-N 2 0 230.356 0.494 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NC2(C)CC[NH2+]CC2)CC[NH2+]1 ZINC000570163996 323051676 /nfs/dbraw/zinc/05/16/76/323051676.db2.gz ILGZIBYUCQITJK-QWRGUYRKSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000570210786 323052949 /nfs/dbraw/zinc/05/29/49/323052949.db2.gz VPWPPEULUFLUKW-NSHDSACASA-N 2 0 225.336 0.183 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]([NH3+])CC(F)F ZINC000570214727 323052959 /nfs/dbraw/zinc/05/29/59/323052959.db2.gz BNFIPEGXUHKAIK-LYFYHCNISA-N 2 0 223.267 0.211 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]([NH3+])CC(F)F ZINC000570214729 323052984 /nfs/dbraw/zinc/05/29/84/323052984.db2.gz BNFIPEGXUHKAIK-XVMARJQXSA-N 2 0 223.267 0.211 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000570210784 323053028 /nfs/dbraw/zinc/05/30/28/323053028.db2.gz VPWPPEULUFLUKW-LLVKDONJSA-N 2 0 225.336 0.183 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000570265074 323054210 /nfs/dbraw/zinc/05/42/10/323054210.db2.gz KZYMQYAUFKJCTE-QWRGUYRKSA-N 2 0 242.367 0.283 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000570319589 323056024 /nfs/dbraw/zinc/05/60/24/323056024.db2.gz JYYAZEFSBOEPJI-SNVBAGLBSA-N 2 0 213.325 0.230 20 0 BCADRP C(C1CC1)[NH+]1CCC(N[C@H]2CC[NH2+]C2)CC1 ZINC000570342864 323056687 /nfs/dbraw/zinc/05/66/87/323056687.db2.gz DSTIDESOIYUYLY-ZDUSSCGKSA-N 2 0 223.364 0.812 20 0 BCADRP CC[NH+]1CCC(CNC(=O)N[C@H](C)C[NH3+])CC1 ZINC000570382360 323057758 /nfs/dbraw/zinc/05/77/58/323057758.db2.gz MUPIVHCLGFPFLD-SNVBAGLBSA-N 2 0 242.367 0.365 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000570395868 323058311 /nfs/dbraw/zinc/05/83/11/323058311.db2.gz ACNAKHVQCVPXPM-GFCCVEGCSA-N 2 0 227.352 0.620 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC000570424833 323059320 /nfs/dbraw/zinc/05/93/20/323059320.db2.gz SRUVHBWUHTZWGV-RYUDHWBXSA-N 2 0 239.363 0.491 20 0 BCADRP [NH3+]CCCCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000570449854 323059877 /nfs/dbraw/zinc/05/98/77/323059877.db2.gz GBONBDOZKBYRGO-TUAOUCFPSA-N 2 0 239.363 0.701 20 0 BCADRP [NH3+]CCCCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000570455992 323060332 /nfs/dbraw/zinc/06/03/32/323060332.db2.gz HMUDNFMRJDPGRA-UHFFFAOYSA-N 2 0 242.367 0.496 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CCCC[NH3+] ZINC000570516266 323061488 /nfs/dbraw/zinc/06/14/88/323061488.db2.gz SUBYWAYVQWGHDA-MNOVXSKESA-N 2 0 227.352 0.844 20 0 BCADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000570513369 323061939 /nfs/dbraw/zinc/06/19/39/323061939.db2.gz SMSKBEVKIAPMBQ-DMDPSCGWSA-N 2 0 237.347 0.102 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000570568428 323063465 /nfs/dbraw/zinc/06/34/65/323063465.db2.gz WCPXALOGQFPSNO-NEPJUHHUSA-N 2 0 239.363 0.573 20 0 BCADRP CCn1ncnc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000570582848 323063939 /nfs/dbraw/zinc/06/39/39/323063939.db2.gz LITWXUYTHXTIEX-NXEZZACHSA-N 2 0 223.324 0.658 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000570635788 323065511 /nfs/dbraw/zinc/06/55/11/323065511.db2.gz WKMILBXVHYCZEJ-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000570682208 323066973 /nfs/dbraw/zinc/06/69/73/323066973.db2.gz XANJXEQWLXNOSW-IUCAKERBSA-N 2 0 201.314 0.086 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000570716879 323068384 /nfs/dbraw/zinc/06/83/84/323068384.db2.gz FBCLFQJVJWUQOG-NTZNESFSSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H](C)CCC[NH3+])[C@@H](C)[NH3+] ZINC000570800759 323071007 /nfs/dbraw/zinc/07/10/07/323071007.db2.gz ZLYLCADFHUUQBF-MXWKQRLJSA-N 2 0 229.368 0.849 20 0 BCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[NH3+] ZINC000570827294 323071948 /nfs/dbraw/zinc/07/19/48/323071948.db2.gz OPLFOSCNTGROAP-NSHDSACASA-N 2 0 242.367 0.365 20 0 BCADRP [NH3+]C[C@@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000570841810 323072495 /nfs/dbraw/zinc/07/24/95/323072495.db2.gz NQJHYSFCOVPGDV-NDBYEHHHSA-N 2 0 245.326 0.063 20 0 BCADRP CC(C)[NH2+]CCCN[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000570918474 323074215 /nfs/dbraw/zinc/07/42/15/323074215.db2.gz PGJTZEDQVLDDFD-NWDGAFQWSA-N 2 0 213.369 0.914 20 0 BCADRP COCC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000570928629 323074491 /nfs/dbraw/zinc/07/44/91/323074491.db2.gz KQKIFOUDFQTXGP-NSHDSACASA-N 2 0 228.336 0.320 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000159067754 323074797 /nfs/dbraw/zinc/07/47/97/323074797.db2.gz JPNVUCNTIBFDMT-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000494573458 323088643 /nfs/dbraw/zinc/08/86/43/323088643.db2.gz FZKVEFNSERDCMN-GARJFASQSA-N 2 0 227.352 0.556 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000040503509 323089895 /nfs/dbraw/zinc/08/98/95/323089895.db2.gz SRCSQMGRXBSMRJ-WOPDTQHZSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCC1([NH3+])CCC1 ZINC000563086958 323090662 /nfs/dbraw/zinc/09/06/62/323090662.db2.gz XEMLOHUDALMGPE-QMMMGPOBSA-N 2 0 211.309 0.125 20 0 BCADRP [NH3+]CCC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000563095112 323092124 /nfs/dbraw/zinc/09/21/24/323092124.db2.gz PAIANOWANVIWLZ-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCCC[NH3+] ZINC000563106151 323092684 /nfs/dbraw/zinc/09/26/84/323092684.db2.gz YKTXNAOBSVHBKS-NSHDSACASA-N 2 0 221.304 0.460 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000563110617 323092855 /nfs/dbraw/zinc/09/28/55/323092855.db2.gz ICDTZZIMNXASGK-GXFFZTMASA-N 2 0 247.342 0.955 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000563109163 323092996 /nfs/dbraw/zinc/09/29/96/323092996.db2.gz ZMFXUZICBYECDK-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000563116842 323093256 /nfs/dbraw/zinc/09/32/56/323093256.db2.gz OMTDNCCTSFFJRQ-AEJSXWLSSA-N 2 0 213.325 0.213 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)C[NH2+]CC1CC1 ZINC000563116807 323093306 /nfs/dbraw/zinc/09/33/06/323093306.db2.gz NPICPSYGIZBVIV-NSHDSACASA-N 2 0 239.363 0.490 20 0 BCADRP C[NH+](C)CC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000563115119 323093399 /nfs/dbraw/zinc/09/33/99/323093399.db2.gz LGUHTEWGFWAXMS-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH+](C)CC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000563115118 323093459 /nfs/dbraw/zinc/09/34/59/323093459.db2.gz LGUHTEWGFWAXMS-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000563118727 323093945 /nfs/dbraw/zinc/09/39/45/323093945.db2.gz BWBRCNPAYNAPOG-VGMNWLOBSA-N 2 0 201.314 0.213 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000563119133 323094002 /nfs/dbraw/zinc/09/40/02/323094002.db2.gz LEXPSAZYQZWAIX-WCQYABFASA-N 2 0 247.342 0.727 20 0 BCADRP CC1(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000563135606 323094410 /nfs/dbraw/zinc/09/44/10/323094410.db2.gz RNSGRMHGOLYEAS-LBPRGKRZSA-N 2 0 223.364 0.766 20 0 BCADRP OCC1([NH2+]CC2CC[NH2+]CC2)CCSCC1 ZINC000563135593 323094742 /nfs/dbraw/zinc/09/47/42/323094742.db2.gz REKOVVBKXPWFHL-UHFFFAOYSA-N 2 0 244.404 0.834 20 0 BCADRP Cc1noc(CCC[N@@H+]2CC[C@](C)(C[NH3+])C2)n1 ZINC000563149772 323095533 /nfs/dbraw/zinc/09/55/33/323095533.db2.gz JAPIMKKUFQTYIH-GFCCVEGCSA-N 2 0 238.335 0.981 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000563160312 323097392 /nfs/dbraw/zinc/09/73/92/323097392.db2.gz JLLMYQMDIYQLSH-WOPDTQHZSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+]CCCCC(=O)NCc1ccc(C[NH3+])cc1 ZINC000563163443 323098384 /nfs/dbraw/zinc/09/83/84/323098384.db2.gz HAPHSJOCWOSDTB-UHFFFAOYSA-N 2 0 235.331 0.891 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NC(C)(C)CCC[NH3+] ZINC000563163808 323098547 /nfs/dbraw/zinc/09/85/47/323098547.db2.gz YOESLXUIUUSTPJ-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000563169272 323099720 /nfs/dbraw/zinc/09/97/20/323099720.db2.gz GJRLBAGUQXINQP-CIUDSAMLSA-N 2 0 201.314 0.212 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@H]1CCC[NH2+]1 ZINC000563171288 323099868 /nfs/dbraw/zinc/09/98/68/323099868.db2.gz ZFVQBSUWMSKATQ-IVZWLZJFSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000563200961 323101463 /nfs/dbraw/zinc/10/14/63/323101463.db2.gz CTLQCRFRBCRIJB-IJLUTSLNSA-N 2 0 239.363 0.680 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000567925302 323101511 /nfs/dbraw/zinc/10/15/11/323101511.db2.gz ITMDTTRVCJPGQB-VGMNWLOBSA-N 2 0 233.381 0.309 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cncn1C ZINC000401651733 323105130 /nfs/dbraw/zinc/10/51/30/323105130.db2.gz QIIMSLKCPGIWID-DGCLKSJQSA-N 2 0 236.363 0.892 20 0 BCADRP C[C@H](C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)C1C[NH2+]C1 ZINC000564796866 323107116 /nfs/dbraw/zinc/10/71/16/323107116.db2.gz AYROFPSJXQVHAD-UMNHJUIQSA-N 2 0 239.363 0.476 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC000563338714 323119179 /nfs/dbraw/zinc/11/91/79/323119179.db2.gz MURFFHBFZFZZQF-SNVBAGLBSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@@H](NC(=O)c1ccccc1CC[NH3+])[C@H](C)[NH3+] ZINC000563339611 323119265 /nfs/dbraw/zinc/11/92/65/323119265.db2.gz VBSMYUVXHGBPLD-VHSXEESVSA-N 2 0 235.331 0.653 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000563409589 323124427 /nfs/dbraw/zinc/12/44/27/323124427.db2.gz ATFILGLQWZGFTB-CYBMUJFWSA-N 2 0 237.347 0.341 20 0 BCADRP CC(C)OC[C@H]1CN(CCC[NH3+])CCO1 ZINC000563435861 323125535 /nfs/dbraw/zinc/12/55/35/323125535.db2.gz YHDFJQFYFIUENF-LLVKDONJSA-N 2 0 216.325 0.461 20 0 BCADRP CCOC1CC(O)(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000563549648 323129874 /nfs/dbraw/zinc/12/98/74/323129874.db2.gz SEHVOOIMOMPPMQ-IALDZJHCSA-N 2 0 242.363 0.776 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000563583030 323130463 /nfs/dbraw/zinc/13/04/63/323130463.db2.gz FREGUGGBDPHIIU-ZDUSSCGKSA-N 2 0 249.358 0.845 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000563583045 323130476 /nfs/dbraw/zinc/13/04/76/323130476.db2.gz HNUWBOFVZGUSJJ-IJLUTSLNSA-N 2 0 239.363 0.490 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000563601463 323130912 /nfs/dbraw/zinc/13/09/12/323130912.db2.gz KJXRMQYMXBSRTB-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1C[C@H](C)OC(C)(C)C1 ZINC000310493693 323132476 /nfs/dbraw/zinc/13/24/76/323132476.db2.gz GLTXVZWKRXZJPZ-RYUDHWBXSA-N 2 0 244.379 0.798 20 0 BCADRP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310553649 323133307 /nfs/dbraw/zinc/13/33/07/323133307.db2.gz HEHGQRZUHNNBSW-SDDRHHMPSA-N 2 0 239.363 0.395 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)CCC[NH3+] ZINC000571083168 323135195 /nfs/dbraw/zinc/13/51/95/323135195.db2.gz GIFYVFBOUSSVAS-ONGXEEELSA-N 2 0 215.341 0.748 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000571157966 323136903 /nfs/dbraw/zinc/13/69/03/323136903.db2.gz XIJKDHCFKZQMQN-PWSUYJOCSA-N 2 0 227.352 0.348 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000571158144 323136975 /nfs/dbraw/zinc/13/69/75/323136975.db2.gz YCTJNMIUCCDFIC-XHNCKOQMSA-N 2 0 213.325 0.226 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000571282686 323140167 /nfs/dbraw/zinc/14/01/67/323140167.db2.gz RXRWLOAMHXTMBB-UHXUPSOCSA-N 2 0 249.358 0.339 20 0 BCADRP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000571282683 323140236 /nfs/dbraw/zinc/14/02/36/323140236.db2.gz RXRWLOAMHXTMBB-GFQSEFKGSA-N 2 0 249.358 0.339 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000571298661 323140775 /nfs/dbraw/zinc/14/07/75/323140775.db2.gz XEXMKHRTJCGOGP-USZNOCQGSA-N 2 0 211.353 0.986 20 0 BCADRP O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C1 ZINC000571300069 323140818 /nfs/dbraw/zinc/14/08/18/323140818.db2.gz YGVHXMNQJJAANY-QWRGUYRKSA-N 2 0 240.351 0.180 20 0 BCADRP O=C(NCCC[C@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C1 ZINC000571300068 323140835 /nfs/dbraw/zinc/14/08/35/323140835.db2.gz YGVHXMNQJJAANY-MNOVXSKESA-N 2 0 240.351 0.180 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)c1coc(C[NH3+])c1 ZINC000571325053 323141397 /nfs/dbraw/zinc/14/13/97/323141397.db2.gz LXKWKARQBIYCTG-QMMMGPOBSA-N 2 0 223.276 0.172 20 0 BCADRP CC(C)([NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000571325645 323141414 /nfs/dbraw/zinc/14/14/14/323141414.db2.gz VJMXYAVFEMTDRH-VIFPVBQESA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@]1(C(=O)N2CCC([NH3+])CC2)CCC[NH2+]C1 ZINC000571326451 323141576 /nfs/dbraw/zinc/14/15/76/323141576.db2.gz GJKDQHPVWMFJFL-GFCCVEGCSA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000571643586 323150672 /nfs/dbraw/zinc/15/06/72/323150672.db2.gz AGWJLDCFJLFZLZ-SKDRFNHKSA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000571643583 323150692 /nfs/dbraw/zinc/15/06/92/323150692.db2.gz AGWJLDCFJLFZLZ-BXKDBHETSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@]1(CNC[C@@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000414900547 323151892 /nfs/dbraw/zinc/15/18/92/323151892.db2.gz DWBYTMOKSKSADM-CHWSQXEVSA-N 2 0 225.380 0.965 20 0 BCADRP CCOC(=O)CN(CC)CCn1ccnc1 ZINC000050051399 323165157 /nfs/dbraw/zinc/16/51/57/323165157.db2.gz ZXXZLCRHBHLMTR-UHFFFAOYSA-N 2 0 225.292 0.768 20 0 BCADRP CC[NH+]1CCC(CCNC(=O)NCC[NH3+])CC1 ZINC000417750444 323182541 /nfs/dbraw/zinc/18/25/41/323182541.db2.gz NQVZIMFICXOTJB-UHFFFAOYSA-N 2 0 242.367 0.366 20 0 BCADRP CCO[C@@H]1C[C@](N)(c2nc(CN)no2)C1(C)C ZINC000563885601 323183231 /nfs/dbraw/zinc/18/32/31/323183231.db2.gz DLWAUWLSJODDSR-HQJQHLMTSA-N 2 0 240.307 0.517 20 0 BCADRP CNC(=O)CCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000398413339 323185710 /nfs/dbraw/zinc/18/57/10/323185710.db2.gz UQVBTJXVMUENSV-MNOVXSKESA-N 2 0 227.352 0.633 20 0 BCADRP O[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)C[NH+]1CCCC1 ZINC000052014580 323192134 /nfs/dbraw/zinc/19/21/34/323192134.db2.gz NREYEYKDUKTLQO-YNEHKIRRSA-N 2 0 242.363 0.336 20 0 BCADRP COCCOCC[NH+]1CCC(CC[NH3+])CC1 ZINC000070535989 323196810 /nfs/dbraw/zinc/19/68/10/323196810.db2.gz VUARDDHVWVSFRL-UHFFFAOYSA-N 2 0 230.352 0.710 20 0 BCADRP C[NH+]1CCC(CCNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000399304060 323203498 /nfs/dbraw/zinc/20/34/98/323203498.db2.gz YKWMNWZHWIFBGQ-UHFFFAOYSA-N 2 0 239.363 0.444 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000532217327 323208941 /nfs/dbraw/zinc/20/89/41/323208941.db2.gz NKLZAEALNIAYII-LBPRGKRZSA-N 2 0 241.379 0.738 20 0 BCADRP CC(C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103210974 323246201 /nfs/dbraw/zinc/24/62/01/323246201.db2.gz JUPWUFUNVMECLH-UHFFFAOYSA-N 2 0 229.368 0.594 20 0 BCADRP C[NH2+]CC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000563958183 323332027 /nfs/dbraw/zinc/33/20/27/323332027.db2.gz SBWJZGKBRBYRGG-ZDUSSCGKSA-N 3 0 225.380 0.917 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000571679589 323343942 /nfs/dbraw/zinc/34/39/42/323343942.db2.gz NZJNVJUMYONJQE-VWYCJHECSA-N 2 0 227.352 0.285 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000309385414 323365148 /nfs/dbraw/zinc/36/51/48/323365148.db2.gz DYRNIHRUCHXDMV-QJPTWQEYSA-N 2 0 211.353 0.655 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089256 323383335 /nfs/dbraw/zinc/38/33/35/323383335.db2.gz FVDNLMRZZJWPRH-BBBLOLIVSA-N 2 0 215.341 0.426 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NC[C@H]([NH3+])C(C)C ZINC000418400089 323391836 /nfs/dbraw/zinc/39/18/36/323391836.db2.gz GRSXDFCMAWSCFC-BDAKNGLRSA-N 2 0 216.329 0.006 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000309660631 323444310 /nfs/dbraw/zinc/44/43/10/323444310.db2.gz ATUSHUWRFKWVQX-ZJUUUORDSA-N 2 0 213.325 0.039 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@H]1CCCC[NH2+]1)C(F)F ZINC000571763586 323475009 /nfs/dbraw/zinc/47/50/09/323475009.db2.gz KHNJZQHQGOFIHU-JGVFFNPUSA-N 2 0 235.278 0.227 20 0 BCADRP O=C(CC[NH2+]C1CC1)NCCNc1cc[nH+]cc1 ZINC000571776365 323479066 /nfs/dbraw/zinc/47/90/66/323479066.db2.gz ZEMVUJIAAJDSDU-UHFFFAOYSA-N 2 0 248.330 0.174 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000571918422 323508393 /nfs/dbraw/zinc/50/83/93/323508393.db2.gz OATPATBMFAFTPP-LLVKDONJSA-N 2 0 227.352 0.573 20 0 BCADRP CC[NH2+]CCCNC(=O)CC[NH2+]C1CC1 ZINC000571938226 323509874 /nfs/dbraw/zinc/50/98/74/323509874.db2.gz CQGKJIXPWBTTQW-UHFFFAOYSA-N 2 0 213.325 0.244 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000571999322 323520502 /nfs/dbraw/zinc/52/05/02/323520502.db2.gz GQIQGOLSLUPKBE-WOPDTQHZSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000572159553 323554870 /nfs/dbraw/zinc/55/48/70/323554870.db2.gz RFGBRDUQKHNQKJ-AOOOYVTPSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)CC[NH2+]C1CC1 ZINC000572302712 323591204 /nfs/dbraw/zinc/59/12/04/323591204.db2.gz MYMZWRFYODJVJJ-VIFPVBQESA-N 2 0 213.325 0.372 20 0 BCADRP CO[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)[C@@H](CN)C1 ZINC000520814263 324109983 /nfs/dbraw/zinc/10/99/83/324109983.db2.gz JEFDMTHISRJYRY-YNEHKIRRSA-N 2 0 241.379 0.424 20 0 BCADRP CO[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)[C@@H](CN)C1 ZINC000520814261 324110194 /nfs/dbraw/zinc/11/01/94/324110194.db2.gz JEFDMTHISRJYRY-JHJVBQTASA-N 2 0 241.379 0.424 20 0 BCADRP O=C(Nc1ccc2nccn2c1)N1CC[NH2+]CC1 ZINC000514782500 324112635 /nfs/dbraw/zinc/11/26/35/324112635.db2.gz SBAVSCRBJWMKCM-UHFFFAOYSA-N 2 0 245.286 0.771 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H](C)C[NH2+]C ZINC000086068553 324117556 /nfs/dbraw/zinc/11/75/56/324117556.db2.gz LARHSTXQGVKLJJ-NSHDSACASA-N 2 0 229.368 0.642 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH2+]C1CC1 ZINC000572496701 324133443 /nfs/dbraw/zinc/13/34/43/324133443.db2.gz UGXSLCJTBOHBHL-JQWIXIFHSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000572499733 324135178 /nfs/dbraw/zinc/13/51/78/324135178.db2.gz ZWXGVQSBJAABRH-YPMHNXCESA-N 2 0 249.358 0.658 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000572526049 324189995 /nfs/dbraw/zinc/18/99/95/324189995.db2.gz YLDQMFCIBFEAJX-LLVKDONJSA-N 2 0 221.304 0.499 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1C ZINC000195316612 324202260 /nfs/dbraw/zinc/20/22/60/324202260.db2.gz YOBAFWSYEHFQDR-LLVKDONJSA-N 2 0 227.352 0.537 20 0 BCADRP CC(C)([NH3+])CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529333931 324275192 /nfs/dbraw/zinc/27/51/92/324275192.db2.gz PWDGWMDPMMRLBH-SECBINFHSA-N 2 0 240.351 0.308 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@H](C)C[NH3+] ZINC000529337373 324276155 /nfs/dbraw/zinc/27/61/55/324276155.db2.gz OXJSQKSVTIGXIO-MNOVXSKESA-N 2 0 242.367 0.221 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529340272 324276991 /nfs/dbraw/zinc/27/69/91/324276991.db2.gz RZZPKCRNORGVTM-GUBZILKMSA-N 2 0 240.351 0.306 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(C)C1=O ZINC000530218370 324522306 /nfs/dbraw/zinc/52/23/06/324522306.db2.gz MJYJQAGDJBWNDK-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)C1C[NH2+]C1 ZINC000530217618 324534573 /nfs/dbraw/zinc/53/45/73/324534573.db2.gz UJTHNJIWSPVZKW-MWLCHTKSSA-N 2 0 209.337 0.469 20 0 BCADRP C[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCCCC1 ZINC000083907423 487964247 /nfs/dbraw/zinc/96/42/47/487964247.db2.gz OUFJKSPOPNVQAR-JTQLQIEISA-N 2 0 213.325 0.278 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000130504347 325058646 /nfs/dbraw/zinc/05/86/46/325058646.db2.gz RNTPTKOUKIQSTG-CMPLNLGQSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000131869649 325188116 /nfs/dbraw/zinc/18/81/16/325188116.db2.gz JTSWTDYVSXZGJI-WCQYABFASA-N 2 0 249.358 0.528 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000131870081 325188405 /nfs/dbraw/zinc/18/84/05/325188405.db2.gz JTSWTDYVSXZGJI-AAEUAGOBSA-N 2 0 249.358 0.528 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC1=CC[NH2+]CC1 ZINC000564327919 325383247 /nfs/dbraw/zinc/38/32/47/325383247.db2.gz FWYVWMBUKNMYEY-LBPRGKRZSA-N 2 0 225.336 0.540 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H](C)[NH+](C)C ZINC000122221867 487969321 /nfs/dbraw/zinc/96/93/21/487969321.db2.gz BBRKQSXHSYEQAX-VWYCJHECSA-N 2 0 227.352 0.665 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000564739537 325803239 /nfs/dbraw/zinc/80/32/39/325803239.db2.gz IWQTZQZQRODBQV-JBLDHEPKSA-N 2 0 227.352 0.487 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000564726813 325804979 /nfs/dbraw/zinc/80/49/79/325804979.db2.gz MEENZVGEOJNJCX-BJDJZHNGSA-N 2 0 239.363 0.618 20 0 BCADRP CCCC[C@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000564722557 325805315 /nfs/dbraw/zinc/80/53/15/325805315.db2.gz MMUZNLLIWKEHMX-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCC(C[NH3+])CC1 ZINC000564937044 325829346 /nfs/dbraw/zinc/82/93/46/325829346.db2.gz IYYGMHZWJHEDNI-ZJUUUORDSA-N 2 0 242.367 0.493 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000564956776 325833709 /nfs/dbraw/zinc/83/37/09/325833709.db2.gz SCVXTOXHTFCQNP-AXFHLTTASA-N 2 0 227.352 0.603 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000564956684 325833899 /nfs/dbraw/zinc/83/38/99/325833899.db2.gz UPZPXODAQBNNJB-DCAQKATOSA-N 2 0 239.363 0.489 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000564971365 325837503 /nfs/dbraw/zinc/83/75/03/325837503.db2.gz ZPTJMBXRTWKOOW-AGIUHOORSA-N 2 0 223.364 0.527 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000564994778 325842968 /nfs/dbraw/zinc/84/29/68/325842968.db2.gz GVYOEUKRSCUSSH-QDMLRJGXSA-N 2 0 239.363 0.605 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000565214414 325876902 /nfs/dbraw/zinc/87/69/02/325876902.db2.gz OOUAQJZPLUCPJP-JTQLQIEISA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+][C@H](C)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000565214454 325877029 /nfs/dbraw/zinc/87/70/29/325877029.db2.gz PDMQNTAZUBFWHF-DVVUODLYSA-N 2 0 225.336 0.099 20 0 BCADRP [NH3+][C@@H](C(=O)NCC1CC[NH2+]CC1)c1ccccc1 ZINC000565480346 325917347 /nfs/dbraw/zinc/91/73/47/325917347.db2.gz YEELNBBBNUTEPD-CYBMUJFWSA-N 2 0 247.342 0.802 20 0 BCADRP C[C@@H]1CN(C(=O)c2coc(C[NH3+])c2)CC[NH2+]1 ZINC000565538291 325924783 /nfs/dbraw/zinc/92/47/83/325924783.db2.gz NSSAYJKWFBWXKI-MRVPVSSYSA-N 2 0 223.276 0.172 20 0 BCADRP [NH3+][C@H]1CCc2ncc(NC(=O)[C@H]3CC[NH2+]3)cc2C1 ZINC000565652054 325938486 /nfs/dbraw/zinc/93/84/86/325938486.db2.gz FGJLWKPQBJOZFJ-JOYOIKCWSA-N 2 0 246.314 0.198 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000565832261 325962232 /nfs/dbraw/zinc/96/22/32/325962232.db2.gz ILODGKWJGLDPRO-HOSYDEDBSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCCC[NH3+] ZINC000566190354 326009620 /nfs/dbraw/zinc/00/96/20/326009620.db2.gz TYRLZXOOZXCAMB-PWSUYJOCSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]CCCC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000566197602 326011299 /nfs/dbraw/zinc/01/12/99/326011299.db2.gz JIVQSJWUKQPRBC-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C2([NH3+])CCC2)C1 ZINC000566201707 326011972 /nfs/dbraw/zinc/01/19/72/326011972.db2.gz YAWBHQBZIZJHFC-ZJUUUORDSA-N 2 0 225.336 0.454 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000566203540 326012381 /nfs/dbraw/zinc/01/23/81/326012381.db2.gz LBDYCJCJNPNCNI-NSHDSACASA-N 2 0 239.294 0.333 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000566205890 326013035 /nfs/dbraw/zinc/01/30/35/326013035.db2.gz LERXDNPXPTUPAO-KXNHARMFSA-N 2 0 237.347 0.052 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000566206053 326013172 /nfs/dbraw/zinc/01/31/72/326013172.db2.gz MDHGRDMRDRSPJC-GHMZBOCLSA-N 2 0 227.352 0.631 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCCCC[NH3+] ZINC000566207148 326013234 /nfs/dbraw/zinc/01/32/34/326013234.db2.gz YYDVRMRMQKQEBC-SECBINFHSA-N 2 0 201.314 0.230 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000566208904 326013776 /nfs/dbraw/zinc/01/37/76/326013776.db2.gz MJGWYPVVWYUHFQ-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000566212632 326014258 /nfs/dbraw/zinc/01/42/58/326014258.db2.gz GQAZJXPZBKRXEC-IUCAKERBSA-N 2 0 213.325 0.215 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)CC[C@H]1CC[NH2+]C1)C(F)F ZINC000566211135 326014473 /nfs/dbraw/zinc/01/44/73/326014473.db2.gz DCJXQFKUXCWLGX-DTWKUNHWSA-N 2 0 249.305 0.475 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000566213635 326014805 /nfs/dbraw/zinc/01/48/05/326014805.db2.gz ZBVRAWCCEDBXIW-HBNTYKKESA-N 2 0 225.336 0.228 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000566215137 326015711 /nfs/dbraw/zinc/01/57/11/326015711.db2.gz WEOUACCDWKJDLS-IWSPIJDZSA-N 2 0 201.314 0.226 20 0 BCADRP C([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000566229636 326018276 /nfs/dbraw/zinc/01/82/76/326018276.db2.gz IVADOINCGUTTSA-UONOGXRCSA-N 3 0 237.391 0.964 20 0 BCADRP C[N@H+](CCOC[C@@H]1CCCO1)C1CC([NH3+])C1 ZINC000566245622 326022561 /nfs/dbraw/zinc/02/25/61/326022561.db2.gz YNQGJYNJIIDTEY-MCIGGMRASA-N 2 0 228.336 0.604 20 0 BCADRP C[C@]1(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC[NH2+]1 ZINC000566252270 326024743 /nfs/dbraw/zinc/02/47/43/326024743.db2.gz VNGAFSRCYQQOOA-NQBHXWOUSA-N 2 0 237.347 0.196 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000566259469 326026060 /nfs/dbraw/zinc/02/60/60/326026060.db2.gz YFPVXMQLHJCMPU-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]1CN(CC[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)CCO1 ZINC000566412293 326041022 /nfs/dbraw/zinc/04/10/22/326041022.db2.gz DWSPMIBWYDANHM-UPJWGTAASA-N 2 0 241.379 0.519 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000566412411 326041041 /nfs/dbraw/zinc/04/10/41/326041041.db2.gz VVXJQGGKRWRZRQ-WDEREUQCSA-N 2 0 227.352 0.666 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000566470893 326052535 /nfs/dbraw/zinc/05/25/35/326052535.db2.gz MBORMSQUITXITQ-WDEREUQCSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000566615293 326068054 /nfs/dbraw/zinc/06/80/54/326068054.db2.gz IAWZNRUYPUFDGQ-NKWVEPMBSA-N 2 0 239.241 0.134 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000566618780 326068591 /nfs/dbraw/zinc/06/85/91/326068591.db2.gz FVRKRRDBQHRRRH-VHSXEESVSA-N 2 0 225.336 0.324 20 0 BCADRP CC[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC000566736686 326078405 /nfs/dbraw/zinc/07/84/05/326078405.db2.gz LYYWQYFFLIBAAK-UHFFFAOYSA-N 2 0 215.341 0.442 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000566794846 326082605 /nfs/dbraw/zinc/08/26/05/326082605.db2.gz GFMALQAUTAXZPG-LPEHRKFASA-N 2 0 228.340 0.245 20 0 BCADRP C[C@]1(C(=O)N2CCC[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000566797203 326083967 /nfs/dbraw/zinc/08/39/67/326083967.db2.gz HLSPWAHTOGDJBC-CMPLNLGQSA-N 2 0 225.336 0.326 20 0 BCADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000566796805 326083981 /nfs/dbraw/zinc/08/39/81/326083981.db2.gz JFUGDBMYCQYBJT-NSHDSACASA-N 3 0 211.353 0.670 20 0 BCADRP C[C@@H](O)[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000566910882 326092906 /nfs/dbraw/zinc/09/29/06/326092906.db2.gz KTQQUADXXVAKBF-VXGBXAGGSA-N 2 0 243.395 0.371 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000566913067 326093486 /nfs/dbraw/zinc/09/34/86/326093486.db2.gz PKVSANCNXFNQLS-JBLDHEPKSA-N 2 0 237.347 0.337 20 0 BCADRP [NH3+]CC[C@H](NC(=O)CC1CC[NH2+]CC1)C(F)F ZINC000566972854 326098310 /nfs/dbraw/zinc/09/83/10/326098310.db2.gz BNQCNEMPVSNFFM-VIFPVBQESA-N 2 0 249.305 0.475 20 0 BCADRP CC[NH2+]CCCN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000567159326 326125557 /nfs/dbraw/zinc/12/55/57/326125557.db2.gz GBPQUCCNUZKTFK-STQMWFEESA-N 2 0 241.379 0.343 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CCSC ZINC000567232856 326147546 /nfs/dbraw/zinc/14/75/46/326147546.db2.gz NFJCMXCIKRVOGI-VHSXEESVSA-N 2 0 247.408 0.701 20 0 BCADRP CN1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])CCC1=O ZINC000567260310 326152137 /nfs/dbraw/zinc/15/21/37/326152137.db2.gz GUICPHUYDZWUPV-WOPDTQHZSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)C1([NH3+])CCC1 ZINC000567268506 326153347 /nfs/dbraw/zinc/15/33/47/326153347.db2.gz CTVNOTFZBKAHMY-SECBINFHSA-N 2 0 213.325 0.502 20 0 BCADRP [NH3+]CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000309582258 326161537 /nfs/dbraw/zinc/16/15/37/326161537.db2.gz SWKDDOOJYPZGCO-ZJUUUORDSA-N 2 0 211.309 0.078 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000309784629 326163004 /nfs/dbraw/zinc/16/30/04/326163004.db2.gz NSFLIWUGFWMTEB-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H]1CCC[NH+](C)C1 ZINC000309823349 326170429 /nfs/dbraw/zinc/17/04/29/326170429.db2.gz WVEWHSHMXFQGAX-FRRDWIJNSA-N 2 0 225.380 0.868 20 0 BCADRP C[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000309927756 326175706 /nfs/dbraw/zinc/17/57/06/326175706.db2.gz WEUIEXXTSDDSAC-NWDGAFQWSA-N 2 0 230.352 0.050 20 0 BCADRP CSC[C@@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000567378085 326179040 /nfs/dbraw/zinc/17/90/40/326179040.db2.gz OPDXFIPZHYGSTJ-UWVGGRQHSA-N 2 0 220.382 0.640 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000567383893 326180754 /nfs/dbraw/zinc/18/07/54/326180754.db2.gz CZEBFVFKXACOFD-GWCFXTLKSA-N 2 0 239.363 0.633 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)Cn1ccnc1 ZINC000567413136 326185839 /nfs/dbraw/zinc/18/58/39/326185839.db2.gz MYNDIDJMTGBOFK-UHFFFAOYSA-N 2 0 238.335 0.731 20 0 BCADRP COC[C@H](C)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000310250747 326188250 /nfs/dbraw/zinc/18/82/50/326188250.db2.gz NZJXIZZAWVUTME-CHWSQXEVSA-N 2 0 241.379 0.248 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000567469984 326199217 /nfs/dbraw/zinc/19/92/17/326199217.db2.gz FLQDJYCHFJCABG-AXFHLTTASA-N 2 0 227.352 0.603 20 0 BCADRP CN(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C1CC[NH2+]CC1 ZINC000567500846 326203851 /nfs/dbraw/zinc/20/38/51/326203851.db2.gz QDOSSURRCZVQGR-WCQYABFASA-N 2 0 237.347 0.196 20 0 BCADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1cc[nH]n1 ZINC000567505302 326206584 /nfs/dbraw/zinc/20/65/84/326206584.db2.gz ULGGUHPVPOODIF-JTQLQIEISA-N 2 0 208.309 0.841 20 0 BCADRP CCC[C@H](C(=O)NCC[N@H+](C)CC)[NH+](C)C ZINC000155882153 326213659 /nfs/dbraw/zinc/21/36/59/326213659.db2.gz SZRBUJDTSPCUBO-LLVKDONJSA-N 2 0 229.368 0.785 20 0 BCADRP CO[C@@H](C[NH3+])c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000567587647 326220456 /nfs/dbraw/zinc/22/04/56/326220456.db2.gz ZCTJYMPAWZZEKA-YUMQZZPRSA-N 2 0 228.296 0.762 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@]2(C)CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000567586795 326223433 /nfs/dbraw/zinc/22/34/33/326223433.db2.gz HTJSRAFHQXLQIT-FOGDFJRCSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)C1C[NH2+]C1 ZINC000567612359 326229035 /nfs/dbraw/zinc/22/90/35/326229035.db2.gz LFRTWHKKFCHVOP-JQWIXIFHSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H]([NH3+])CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000567614051 326229576 /nfs/dbraw/zinc/22/95/76/326229576.db2.gz ZYRLVAUCUYMREA-PWSUYJOCSA-N 2 0 220.320 0.375 20 0 BCADRP C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000567639371 326236748 /nfs/dbraw/zinc/23/67/48/326236748.db2.gz KIDQBSYASNLQLX-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000572586000 326239809 /nfs/dbraw/zinc/23/98/09/326239809.db2.gz GNIRDYLQJFCETJ-LLVKDONJSA-N 2 0 227.352 0.633 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)c1ccnc(C[NH3+])c1 ZINC000567673715 326242654 /nfs/dbraw/zinc/24/26/54/326242654.db2.gz CQJXXEBJCIQAIS-UHFFFAOYSA-N 2 0 236.319 0.398 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000567671932 326242700 /nfs/dbraw/zinc/24/27/00/326242700.db2.gz VSAQOVXPOJTCLI-ZYHUDNBSSA-N 2 0 225.336 0.183 20 0 BCADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]CCC(N)=O)C1 ZINC000567685195 326244759 /nfs/dbraw/zinc/24/47/59/326244759.db2.gz XDLNMOPTZAKMAT-NSHDSACASA-N 2 0 227.352 0.429 20 0 BCADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2c(c1)C[NH2+]C2 ZINC000567733366 326252799 /nfs/dbraw/zinc/25/27/99/326252799.db2.gz FCIFGKWOBRUDNP-ITGUQSILSA-N 2 0 243.310 0.237 20 0 BCADRP [NH3+]C[C@@H]1CN(CCCc2ccncc2)CCO1 ZINC000567735999 326253182 /nfs/dbraw/zinc/25/31/82/326253182.db2.gz ZCIXJTNNDQZPDN-CYBMUJFWSA-N 2 0 235.331 0.674 20 0 BCADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000567815316 326261911 /nfs/dbraw/zinc/26/19/11/326261911.db2.gz RFHVKGNABFNNHX-IACUBPJLSA-N 2 0 249.358 0.198 20 0 BCADRP CC[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000567815103 326262031 /nfs/dbraw/zinc/26/20/31/326262031.db2.gz YVXYWIKMMZUXQV-LLVKDONJSA-N 2 0 237.303 0.700 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1coc(C[NH3+])c1 ZINC000567835934 326266739 /nfs/dbraw/zinc/26/67/39/326266739.db2.gz RBIMQWDOWBVKRD-KCJUWKMLSA-N 2 0 237.303 0.466 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)C2([NH3+])CCC2)C1 ZINC000567837232 326267121 /nfs/dbraw/zinc/26/71/21/326267121.db2.gz CGQNDMZBDBPDTL-SNVBAGLBSA-N 2 0 211.309 0.065 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000567839292 326267799 /nfs/dbraw/zinc/26/77/99/326267799.db2.gz GGOHWFFKKRKYNQ-JQWIXIFHSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@]1(C(=O)N2CCC3(CC[NH2+]3)CC2)CC[NH2+]C1 ZINC000567842617 326268389 /nfs/dbraw/zinc/26/83/89/326268389.db2.gz UVKYTDPQJCHGBM-GFCCVEGCSA-N 2 0 237.347 0.341 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000567846460 326268958 /nfs/dbraw/zinc/26/89/58/326268958.db2.gz CGUBFKBLHLBFAR-RNFRBKRXSA-N 2 0 241.257 0.510 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000567847624 326269491 /nfs/dbraw/zinc/26/94/91/326269491.db2.gz UKLSOGOENMLFTE-QEYWKRMJSA-N 2 0 213.325 0.213 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NCC[NH2+]C(C)(C)C ZINC000157349906 326269610 /nfs/dbraw/zinc/26/96/10/326269610.db2.gz MGWREXRNPUVUCP-VIFPVBQESA-N 2 0 247.408 0.571 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)CCC[NH3+] ZINC000567848657 326270028 /nfs/dbraw/zinc/27/00/28/326270028.db2.gz YDBPCFLZGZNUNC-VWYCJHECSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]CCCN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000567871040 326273965 /nfs/dbraw/zinc/27/39/65/326273965.db2.gz LDDHFWSDUMWVIJ-GFCCVEGCSA-N 2 0 220.320 0.377 20 0 BCADRP C[NH2+]C[C@H](O)C[NH2+]CC1(O)CCC(C)CC1 ZINC000567876132 326275408 /nfs/dbraw/zinc/27/54/08/326275408.db2.gz PBBWQPAQTJIHFY-CXQJBGSLSA-N 2 0 230.352 0.098 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000567913874 326280187 /nfs/dbraw/zinc/28/01/87/326280187.db2.gz RDGMCPYMTNDJTE-JQWIXIFHSA-N 2 0 227.352 0.762 20 0 BCADRP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000567907287 326281002 /nfs/dbraw/zinc/28/10/02/326281002.db2.gz UDMXZBCMGHJQLP-ORZCXNSNSA-N 2 0 237.347 0.465 20 0 BCADRP [NH3+]CCc1ccccc1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000567910041 326281378 /nfs/dbraw/zinc/28/13/78/326281378.db2.gz SLHLJJYTPSITAQ-GFCCVEGCSA-N 2 0 247.342 0.670 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCCC[NH2+]C1CC1 ZINC000567922836 326283842 /nfs/dbraw/zinc/28/38/42/326283842.db2.gz QZQDJVQGGJBBPR-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]CCc1ccccc1C(=O)N1CCC([NH3+])CC1 ZINC000568148129 326313070 /nfs/dbraw/zinc/31/30/70/326313070.db2.gz KKTGXRAAXBTXSW-UHFFFAOYSA-N 2 0 247.342 0.751 20 0 BCADRP CC[C@H](C(=O)NC[C@H]1CC[N@H+](CC)C1)[NH+](C)C ZINC000158276718 326314737 /nfs/dbraw/zinc/31/47/37/326314737.db2.gz FVUQJBHQWRSMFF-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H]1C(C)C ZINC000568247395 326333871 /nfs/dbraw/zinc/33/38/71/326333871.db2.gz LFZAKRYMXPCFKF-STQMWFEESA-N 2 0 244.379 0.656 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](CO)[C@H]2CCOC2)C1 ZINC000568248190 326334279 /nfs/dbraw/zinc/33/42/79/326334279.db2.gz JVNVFZWPBSUTCC-RVMXOQNASA-N 2 0 242.363 0.491 20 0 BCADRP NC(=O)C1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000568249089 326334737 /nfs/dbraw/zinc/33/47/37/326334737.db2.gz HFRTVWCTQKAJBV-QWRGUYRKSA-N 2 0 239.363 0.892 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000568392099 326353622 /nfs/dbraw/zinc/35/36/22/326353622.db2.gz DGIAUQAVQYEWEL-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000568393287 326353676 /nfs/dbraw/zinc/35/36/76/326353676.db2.gz PUFMYOYKIPUUGR-SDDRHHMPSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@]1(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000568510841 326361347 /nfs/dbraw/zinc/36/13/47/326361347.db2.gz BUFFJOHAUCZTAX-WOPDTQHZSA-N 3 0 211.353 0.703 20 0 BCADRP CCn1ccnc1CNC(=O)Cn1ccnc1C ZINC000568662943 326371738 /nfs/dbraw/zinc/37/17/38/326371738.db2.gz OMFCWBJGOSWXBB-UHFFFAOYSA-N 2 0 247.302 0.724 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000568738229 326374076 /nfs/dbraw/zinc/37/40/76/326374076.db2.gz ZJRJDWJEOPUNIE-DRZSPHRISA-N 2 0 247.342 0.801 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000568747761 326374656 /nfs/dbraw/zinc/37/46/56/326374656.db2.gz MGPLAEDULRTXIL-GMTAPVOTSA-N 2 0 225.336 0.276 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000568760774 326375504 /nfs/dbraw/zinc/37/55/04/326375504.db2.gz BCUHXDJNNLQXNG-ZDCRXTMVSA-N 2 0 227.352 0.474 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000568760761 326375618 /nfs/dbraw/zinc/37/56/18/326375618.db2.gz ANCIGQVLPHKWJG-NSHDSACASA-N 2 0 239.363 0.703 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000568864843 326379956 /nfs/dbraw/zinc/37/99/56/326379956.db2.gz RKZQRAYDGJPPSD-PRULPYPASA-N 2 0 239.363 0.428 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000568879360 326381056 /nfs/dbraw/zinc/38/10/56/326381056.db2.gz XOIOFOHYCSBEKW-UWVGGRQHSA-N 2 0 227.352 0.522 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000568901344 326382026 /nfs/dbraw/zinc/38/20/26/326382026.db2.gz UHUYTHFMHAQUFG-WDEREUQCSA-N 2 0 237.347 0.196 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000568998817 326385780 /nfs/dbraw/zinc/38/57/80/326385780.db2.gz GGOHWFFKKRKYNQ-PWSUYJOCSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C[NH2+]CC1CC1 ZINC000568998969 326385797 /nfs/dbraw/zinc/38/57/97/326385797.db2.gz LIPAHYSERSPGOI-KOLCDFICSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000569110402 326390655 /nfs/dbraw/zinc/39/06/55/326390655.db2.gz UEYQPUVBKXJCKM-HBNTYKKESA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000569213068 326395078 /nfs/dbraw/zinc/39/50/78/326395078.db2.gz OVKVWBOGADHPNW-UHFFFAOYSA-N 2 0 227.352 0.477 20 0 BCADRP C[NH+](C)CCc1ccc(C[NH2+]CCC(N)=O)cc1 ZINC000569214923 326395426 /nfs/dbraw/zinc/39/54/26/326395426.db2.gz XZZQZAWKXMJHJJ-UHFFFAOYSA-N 2 0 249.358 0.756 20 0 BCADRP CSC[C@@H](O)C[NH2+][C@H](C)C1=CC[N@H+](C)CC1 ZINC000569232715 326396460 /nfs/dbraw/zinc/39/64/60/326396460.db2.gz JSEZPZQBVPSFFV-PWSUYJOCSA-N 2 0 244.404 0.950 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000572760459 326408473 /nfs/dbraw/zinc/40/84/73/326408473.db2.gz QKZSFYQUCFRXHX-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000572750383 326408672 /nfs/dbraw/zinc/40/86/72/326408672.db2.gz PCVWGTZOCMZCKV-JBLDHEPKSA-N 2 0 225.336 0.182 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000572856761 326415566 /nfs/dbraw/zinc/41/55/66/326415566.db2.gz NDBOINPQUKBTQF-GHMZBOCLSA-N 2 0 227.352 0.620 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000572999498 326424048 /nfs/dbraw/zinc/42/40/48/326424048.db2.gz CGHYNASWJOUYJG-UWVGGRQHSA-N 2 0 245.392 0.183 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)CC(N)=O ZINC000165963573 326427361 /nfs/dbraw/zinc/42/73/61/326427361.db2.gz CXKPFEIBFKBMKX-QWRGUYRKSA-N 2 0 245.367 0.197 20 0 BCADRP CC[NH2+]CCCNC(=O)C1([NH3+])CCCC1 ZINC000309502622 487979683 /nfs/dbraw/zinc/97/96/83/487979683.db2.gz VENREKIEBBKLBT-UHFFFAOYSA-N 2 0 213.325 0.374 20 0 BCADRP CCN(CCO)CC[NH2+][C@@H](C)C(C)C ZINC000186578172 487988395 /nfs/dbraw/zinc/98/83/95/487988395.db2.gz SUEYZMIHAIIANG-NSHDSACASA-N 2 0 202.342 0.935 20 0 BCADRP CC(=O)N[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000396627626 487989319 /nfs/dbraw/zinc/98/93/19/487989319.db2.gz CKWZFCNEUXOYEZ-VXGBXAGGSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159053184 487989980 /nfs/dbraw/zinc/98/99/80/487989980.db2.gz JBJSTBVSXJFSNN-LOWVWBTDSA-N 2 0 237.347 0.326 20 0 BCADRP CC[C@@H]([NH3+])c1cn(CC[NH+]2CCCC2)nn1 ZINC000229934841 487999792 /nfs/dbraw/zinc/99/97/92/487999792.db2.gz UBEAHEFXPKXHMW-SNVBAGLBSA-N 2 0 223.324 0.784 20 0 BCADRP C[C@H](CO)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000677221225 488002879 /nfs/dbraw/zinc/00/28/79/488002879.db2.gz DMKMGOLAUFXACX-ZDUSSCGKSA-N 2 0 245.411 0.430 20 0 BCADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)N1CCCC1 ZINC000396740791 488003701 /nfs/dbraw/zinc/00/37/01/488003701.db2.gz PSHGXIVELLKIKV-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCOC2)CC1 ZINC000109429553 488004878 /nfs/dbraw/zinc/00/48/78/488004878.db2.gz MROGNLGDEIQQMC-GFCCVEGCSA-N 2 0 241.379 0.391 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396431235 488006288 /nfs/dbraw/zinc/00/62/88/488006288.db2.gz GCGCGQVRAJQZEP-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCOCC1 ZINC000309646838 488010196 /nfs/dbraw/zinc/01/01/96/488010196.db2.gz QUOLQNFYGUVIPW-BETUJISGSA-N 2 0 224.348 0.954 20 0 BCADRP CC[C@H]1C[N@H+](CCn2cccn2)CC[C@@H]1[NH3+] ZINC000147487864 488029343 /nfs/dbraw/zinc/02/93/43/488029343.db2.gz KFUSVCMDECNJGF-RYUDHWBXSA-N 2 0 222.336 0.942 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NCC1([NH3+])CCCC1 ZINC000659576366 488030130 /nfs/dbraw/zinc/03/01/30/488030130.db2.gz CFHBPPZQRDVAPN-VIFPVBQESA-N 2 0 228.340 0.294 20 0 BCADRP CC1CC[NH+](CCNC(=O)CC(C)(C)[NH3+])CC1 ZINC000084183964 488034991 /nfs/dbraw/zinc/03/49/91/488034991.db2.gz VUQIZJPYAIPLQK-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1CCc2nccn2C1 ZINC000655450363 488040397 /nfs/dbraw/zinc/04/03/97/488040397.db2.gz LGXZAMUGBWBVIV-VHSXEESVSA-N 2 0 236.319 0.157 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655450426 488040994 /nfs/dbraw/zinc/04/09/94/488040994.db2.gz NQHDWLPMCDZLTC-GMXVVIOVSA-N 2 0 237.347 0.244 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655450685 488042639 /nfs/dbraw/zinc/04/26/39/488042639.db2.gz WZAUKADPTNBRKS-LOWVWBTDSA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@]34C[C@@H]3C[NH2+]C4)C[C@H]21 ZINC000663493926 488043363 /nfs/dbraw/zinc/04/33/63/488043363.db2.gz DUDLJDMNDCDRMH-KSTCHIGDSA-N 3 0 235.375 0.655 20 0 BCADRP C(N1[C@@H]2CC[C@H]1C[NH2+]CC2)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663496865 488045659 /nfs/dbraw/zinc/04/56/59/488045659.db2.gz ZZQUZFOXKUPTSA-NDBYEHHHSA-N 2 0 221.348 0.422 20 0 BCADRP CC[C@@H](C)[N@H+](CC)CCC(=O)N1CC[NH2+]CC1 ZINC000053298597 488046755 /nfs/dbraw/zinc/04/67/55/488046755.db2.gz XGPWPQZCSOUAKD-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC[C@]12C[C@H]1C[NH2+]C2 ZINC000663498805 488047451 /nfs/dbraw/zinc/04/74/51/488047451.db2.gz UDVYEOAKABZANL-JBLDHEPKSA-N 2 0 209.337 0.326 20 0 BCADRP CC(C)([NH3+])CN1CC[C@H](CN2CCCC2=O)C1 ZINC000663499947 488049239 /nfs/dbraw/zinc/04/92/39/488049239.db2.gz HACKMMNQUCMESZ-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091395285 488049146 /nfs/dbraw/zinc/04/91/46/488049146.db2.gz LPNMIOROEZAXCS-VXGBXAGGSA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000084420056 488051519 /nfs/dbraw/zinc/05/15/19/488051519.db2.gz RERMJSUGTIBHBM-LLVKDONJSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000669490896 488053076 /nfs/dbraw/zinc/05/30/76/488053076.db2.gz DJRGPWUVTNAXKJ-KOLCDFICSA-N 2 0 240.351 0.117 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[NH+](CC)CC ZINC000449569074 488072110 /nfs/dbraw/zinc/07/21/10/488072110.db2.gz GBYLMIDNDCTOTA-KXNHARMFSA-N 2 0 239.363 0.441 20 0 BCADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[NH+](CC)CC ZINC000449569075 488072120 /nfs/dbraw/zinc/07/21/20/488072120.db2.gz GBYLMIDNDCTOTA-WHOHXGKFSA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H](C)[NH+](C)C ZINC000236660919 488079377 /nfs/dbraw/zinc/07/93/77/488079377.db2.gz DETGDSQCYPWPLK-ONGXEEELSA-N 2 0 215.341 0.426 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]C1CC1 ZINC000236648916 488079506 /nfs/dbraw/zinc/07/95/06/488079506.db2.gz ZTONQKZDYLOAPI-UHFFFAOYSA-N 2 0 213.325 0.195 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000257673061 488079682 /nfs/dbraw/zinc/07/96/82/488079682.db2.gz IYBFLBZIVWCTJH-RYUDHWBXSA-N 2 0 209.337 0.281 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000257681649 488081097 /nfs/dbraw/zinc/08/10/97/488081097.db2.gz JGBLDGGDHUWYAA-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP CCCN(C(=O)[C@H](C)[NH+](C)C)C1CC[NH2+]CC1 ZINC000236819958 488089952 /nfs/dbraw/zinc/08/99/52/488089952.db2.gz BDORUOAABICHNI-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP C(c1nc([C@H]2CCC[NH2+]2)no1)[C@@H]1CC[NH2+]C1 ZINC000257930442 488091896 /nfs/dbraw/zinc/09/18/96/488091896.db2.gz HAGMZEPNYZZHOS-DTWKUNHWSA-N 2 0 222.292 0.646 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000389442419 488096971 /nfs/dbraw/zinc/09/69/71/488096971.db2.gz OFEFDNIUMULFMV-LLVKDONJSA-N 2 0 225.336 0.339 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000237052752 488101607 /nfs/dbraw/zinc/10/16/07/488101607.db2.gz ILQMUVYMCQHWCY-GRYCIOLGSA-N 2 0 241.379 0.960 20 0 BCADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[NH2+]CC1 ZINC000258132135 488102025 /nfs/dbraw/zinc/10/20/25/488102025.db2.gz MGJDDTQGVVOABL-ZDUSSCGKSA-N 2 0 245.326 0.653 20 0 BCADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000237105239 488104069 /nfs/dbraw/zinc/10/40/69/488104069.db2.gz AGLANFYQKSNXCF-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000389662450 488104879 /nfs/dbraw/zinc/10/48/79/488104879.db2.gz SDKKBSRBSCPWJT-YPMHNXCESA-N 2 0 239.363 0.729 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000389664982 488105893 /nfs/dbraw/zinc/10/58/93/488105893.db2.gz SVTUSMVGTSHXGT-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000389664979 488105985 /nfs/dbraw/zinc/10/59/85/488105985.db2.gz SVTUSMVGTSHXGT-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]CCCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000669508442 488109172 /nfs/dbraw/zinc/10/91/72/488109172.db2.gz YCDKVSOCWDDJST-SNVBAGLBSA-N 2 0 241.722 0.805 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669509691 488110014 /nfs/dbraw/zinc/11/00/14/488110014.db2.gz OPWJRJFRBOZTBI-GHMZBOCLSA-N 2 0 227.352 0.633 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C[NH2+]CC1CC1 ZINC000669510448 488112759 /nfs/dbraw/zinc/11/27/59/488112759.db2.gz JTSANQLWNVNPEB-UHFFFAOYSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@@]1(C(=O)NC[C@@H]([NH3+])c2ccccc2)CCC[NH2+]1 ZINC000669510723 488113465 /nfs/dbraw/zinc/11/34/65/488113465.db2.gz XNFSXEFUJPRAGB-OCCSQVGLSA-N 2 0 247.342 0.945 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000669511306 488114141 /nfs/dbraw/zinc/11/41/41/488114141.db2.gz FBNQXFCFCBHESV-WRWGMCAJSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)CCC[NH3+])C1 ZINC000669512035 488116911 /nfs/dbraw/zinc/11/69/11/488116911.db2.gz SPAPTGQOMUANKX-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)CCC[NH3+] ZINC000669511864 488117116 /nfs/dbraw/zinc/11/71/16/488117116.db2.gz KPZUGVALXLSBCP-SNVBAGLBSA-N 2 0 229.368 0.818 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N(C)CCC[NH3+])cc1 ZINC000669511754 488117166 /nfs/dbraw/zinc/11/71/66/488117166.db2.gz DNJAXJAEOPRYBL-LBPRGKRZSA-N 2 0 235.331 0.802 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)CCC[NH3+] ZINC000669511863 488117211 /nfs/dbraw/zinc/11/72/11/488117211.db2.gz KPZUGVALXLSBCP-JTQLQIEISA-N 2 0 229.368 0.818 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000669511876 488117226 /nfs/dbraw/zinc/11/72/26/488117226.db2.gz KUJQUFFYBPHIRG-ZYHUDNBSSA-N 2 0 227.352 0.701 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]CC1(C)C ZINC000669512432 488118811 /nfs/dbraw/zinc/11/88/11/488118811.db2.gz VBEORDCFWDLSNJ-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CC(C)C ZINC000669512730 488119710 /nfs/dbraw/zinc/11/97/10/488119710.db2.gz KZWFCRYUTXMTPR-GHMZBOCLSA-N 2 0 229.368 0.994 20 0 BCADRP CC(=O)N[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000160268826 488120302 /nfs/dbraw/zinc/12/03/02/488120302.db2.gz LDTDRTAAYATPFB-GFCCVEGCSA-N 2 0 225.336 0.196 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C1([NH+](C)C)CC1 ZINC000668690776 488120703 /nfs/dbraw/zinc/12/07/03/488120703.db2.gz ZZFPVAMQOXNJTA-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CC1([NH3+])CCC1 ZINC000669514038 488122089 /nfs/dbraw/zinc/12/20/89/488122089.db2.gz AZPUJSJPXPHCCQ-VHSXEESVSA-N 2 0 225.336 0.372 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000258579501 488122912 /nfs/dbraw/zinc/12/29/12/488122912.db2.gz PUQBFPLSUUPFIO-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000669514006 488123237 /nfs/dbraw/zinc/12/32/37/488123237.db2.gz VOTKFXPWUMKYRB-BXKDBHETSA-N 2 0 233.315 0.337 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000669514721 488124478 /nfs/dbraw/zinc/12/44/78/488124478.db2.gz CFKWCNBDNWEZGI-NWDGAFQWSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[C@H]1CN(C(=O)CC[C@H](C)[NH3+])CC[NH2+]1 ZINC000669514989 488125215 /nfs/dbraw/zinc/12/52/15/488125215.db2.gz ZNXWNWXUKICFBT-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669515878 488125827 /nfs/dbraw/zinc/12/58/27/488125827.db2.gz IAMOQNZZKZRTOQ-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000258652551 488126203 /nfs/dbraw/zinc/12/62/03/488126203.db2.gz SHPXGBQOGZDBHI-GHMZBOCLSA-N 2 0 240.351 0.132 20 0 BCADRP C1CC1[NH+]1CCC(N[C@H]2CC[NH2+]C2)CC1 ZINC000086727863 487537500 /nfs/dbraw/zinc/53/75/00/487537500.db2.gz XFYRIPLWKXWZKM-NSHDSACASA-N 2 0 209.337 0.565 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000669517067 488127356 /nfs/dbraw/zinc/12/73/56/488127356.db2.gz ZCIOUWIGJJLXMI-XCBNKYQSSA-N 2 0 241.722 0.803 20 0 BCADRP C[C@H](CCO)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000085131491 488132117 /nfs/dbraw/zinc/13/21/17/488132117.db2.gz SVTIHWXVLZLMJB-NEPJUHHUSA-N 2 0 230.352 0.051 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[NH+](C)C ZINC000674263834 487538191 /nfs/dbraw/zinc/53/81/91/487538191.db2.gz PCMYYCNBNCVSCB-SRVKXCTJSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)C[C@@H](C)CN(CC[NH3+])C[C@H](O)CO ZINC000662288958 487539852 /nfs/dbraw/zinc/53/98/52/487539852.db2.gz WDBHTVLPFSNDIY-NEPJUHHUSA-N 2 0 232.368 0.283 20 0 BCADRP COC[C@@H](C[NH2+][C@H]1CC[NH2+]CC1(C)C)OC ZINC000300857407 487541014 /nfs/dbraw/zinc/54/10/14/487541014.db2.gz OQLKUTLQPMHSOR-MNOVXSKESA-N 2 0 230.352 0.626 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[NH+](C)C ZINC000674263832 487541218 /nfs/dbraw/zinc/54/12/18/487541218.db2.gz PCMYYCNBNCVSCB-QJPTWQEYSA-N 2 0 239.363 0.680 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH3+])o2)C1 ZINC000094569972 487543758 /nfs/dbraw/zinc/54/37/58/487543758.db2.gz VHYPBISIMULYNO-VIFPVBQESA-N 2 0 237.303 0.562 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000674288563 487544132 /nfs/dbraw/zinc/54/41/32/487544132.db2.gz GHEKWEWLIBUUKE-GARJFASQSA-N 2 0 227.352 0.535 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000162246604 487546839 /nfs/dbraw/zinc/54/68/39/487546839.db2.gz AUMJZGRWEOHEPW-DMDPSCGWSA-N 2 0 239.363 0.905 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](C)[NH+](C)C ZINC000674288991 487549736 /nfs/dbraw/zinc/54/97/36/487549736.db2.gz UWWMTHOXFXQFLU-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H](C(=O)NCC[N@@H+]1CC[C@H](C)C1)[NH+](C)C ZINC000674289835 487551703 /nfs/dbraw/zinc/55/17/03/487551703.db2.gz XBENFMBNQYXGDJ-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000161041721 487473642 /nfs/dbraw/zinc/47/36/42/487473642.db2.gz NGTALKDOFBHBFQ-LLVKDONJSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H](CNC(=O)CC1([NH3+])CCC1)[NH+]1CCCC1 ZINC000161063962 487474800 /nfs/dbraw/zinc/47/48/00/487474800.db2.gz LURAMYKFONTONJ-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP CCN1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000391496143 487481255 /nfs/dbraw/zinc/48/12/55/487481255.db2.gz GXOXIUAVCRINLE-GARJFASQSA-N 2 0 225.336 0.467 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000086067807 487477854 /nfs/dbraw/zinc/47/78/54/487477854.db2.gz ZGNWYABTMPDFPL-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000295010400 487478494 /nfs/dbraw/zinc/47/84/94/487478494.db2.gz MCICPGCUSCIVAL-RKDXNWHRSA-N 2 0 234.303 0.664 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000237506881 487478985 /nfs/dbraw/zinc/47/89/85/487478985.db2.gz RIAGQNPMJIUTBD-NXEZZACHSA-N 2 0 239.363 0.855 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)C[NH2+]C ZINC000086068546 487479158 /nfs/dbraw/zinc/47/91/58/487479158.db2.gz UYIHWIHZGYSZBA-QWRGUYRKSA-N 2 0 229.368 0.688 20 0 BCADRP C[C@H](CC(=O)NC[C@H](C)[NH3+])[C@H]1CCC[NH2+]C1 ZINC000249102295 487481168 /nfs/dbraw/zinc/48/11/68/487481168.db2.gz OEFLTDOBOVHXTG-VWYCJHECSA-N 2 0 227.352 0.476 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](C)[NH3+] ZINC000669286326 487485811 /nfs/dbraw/zinc/48/58/11/487485811.db2.gz HPWQUXVXUYFBBP-NXEZZACHSA-N 2 0 230.356 0.363 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC[N@H+](C)C1CC1 ZINC000062010201 487492440 /nfs/dbraw/zinc/49/24/40/487492440.db2.gz IQQPNKHUCJQEHG-UHFFFAOYSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H](C(=O)NCC1([NH3+])CCCCC1)[NH+](C)C ZINC000237610871 487492721 /nfs/dbraw/zinc/49/27/21/487492721.db2.gz GEKWQHJPCMWLIU-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H](C(=O)N[C@@](C)(C[NH3+])C1CC1)[NH+](C)C ZINC000237611781 487493276 /nfs/dbraw/zinc/49/32/76/487493276.db2.gz USUDUPUCJMXAEN-KWQFWETISA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)CC(C)(C)[NH3+] ZINC000381276140 487503319 /nfs/dbraw/zinc/50/33/19/487503319.db2.gz XAJHLGQXZZFNQN-UHFFFAOYSA-N 2 0 215.341 0.618 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C[NH2+]C(C)C)C1 ZINC000062972774 487504798 /nfs/dbraw/zinc/50/47/98/487504798.db2.gz RESJEIFWDOQECI-LBPRGKRZSA-N 2 0 241.379 0.927 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449485126 487510456 /nfs/dbraw/zinc/51/04/56/487510456.db2.gz OZBNCVQUJOVSFM-OUAUKWLOSA-N 2 0 227.352 0.761 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000381656993 487517616 /nfs/dbraw/zinc/51/76/16/487517616.db2.gz FMBNYLBELCEYTL-LLVKDONJSA-N 2 0 213.325 0.183 20 0 BCADRP [NH3+][C@@H](C(=O)NC[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000237826810 487518739 /nfs/dbraw/zinc/51/87/39/487518739.db2.gz GPQZOEBXLBNONJ-CHWSQXEVSA-N 2 0 247.342 0.945 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000669318269 487520574 /nfs/dbraw/zinc/52/05/74/487520574.db2.gz KLTDLBRHNICBOZ-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000162049670 487534292 /nfs/dbraw/zinc/53/42/92/487534292.db2.gz ZMIHDILHYZNGMA-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC[C@@H]1[NH3+] ZINC000662243805 490041045 /nfs/dbraw/zinc/04/10/45/490041045.db2.gz KGKNFTAOHXSOAC-UTUOFQBUSA-N 3 0 239.363 0.177 20 0 BCADRP [NH3+]CCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000309634552 490045025 /nfs/dbraw/zinc/04/50/25/490045025.db2.gz SAFWBZOVPGYCOH-SNVBAGLBSA-N 2 0 207.277 0.151 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000132922755 487776245 /nfs/dbraw/zinc/77/62/45/487776245.db2.gz HZJISLUGGMFJGZ-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222925744 488136876 /nfs/dbraw/zinc/13/68/76/488136876.db2.gz IRKANKYIBYFUJH-IVZWLZJFSA-N 2 0 213.325 0.371 20 0 BCADRP CN(C(=O)CC1([NH3+])CCC1)C1CC([NH3+])C1 ZINC000669520370 488140305 /nfs/dbraw/zinc/14/03/05/488140305.db2.gz ZHGMNBOFZGUDMG-UHFFFAOYSA-N 2 0 211.309 0.206 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000669521155 488150731 /nfs/dbraw/zinc/15/07/31/488150731.db2.gz HQSIKHQBQXUSRA-MRVPVSSYSA-N 2 0 215.341 0.603 20 0 BCADRP C[C@@H]1CCCN(C(=O)CC(C)(C)[NH3+])[C@@H]1C[NH3+] ZINC000237397377 488154099 /nfs/dbraw/zinc/15/40/99/488154099.db2.gz QFGSEYBMZRLHLR-NXEZZACHSA-N 2 0 227.352 0.700 20 0 BCADRP C[NH2+]CC1CC[NH+](CCc2ccnn2C)CC1 ZINC000230764331 488155990 /nfs/dbraw/zinc/15/59/90/488155990.db2.gz HZLUHEPIMBHLSO-UHFFFAOYSA-N 2 0 236.363 0.894 20 0 BCADRP CC[N@@H+]1C[C@@H](C)N(C(=O)[C@H](C)[NH+](C)C)C[C@H]1C ZINC000677974110 488167929 /nfs/dbraw/zinc/16/79/29/488167929.db2.gz DYPXJRJTGKGGEX-UTUOFQBUSA-N 2 0 241.379 0.878 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000380131294 488174582 /nfs/dbraw/zinc/17/45/82/488174582.db2.gz SWAQBDIGVOVWFR-PSASIEDQSA-N 2 0 201.314 0.213 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH2+]C(C)C ZINC000037477078 488186539 /nfs/dbraw/zinc/18/65/39/488186539.db2.gz OVVXFTIPXBBPFR-NSHDSACASA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)[NH2+]CC(=O)NCCC[NH+](C)C ZINC000037477076 488186776 /nfs/dbraw/zinc/18/67/76/488186776.db2.gz DJEOKANLEMGPEC-UHFFFAOYSA-N 2 0 201.314 0.052 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)CC(C)(C)[NH3+] ZINC000309778514 488192333 /nfs/dbraw/zinc/19/23/33/488192333.db2.gz MIRUZAARBVLCDI-DTWKUNHWSA-N 2 0 213.325 0.310 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322616933 488193273 /nfs/dbraw/zinc/19/32/73/488193273.db2.gz QILRNJUEPSPWQU-WAAKLRNESA-N 2 0 239.363 0.583 20 0 BCADRP CO[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CC[C@H]1C ZINC000299903444 488193987 /nfs/dbraw/zinc/19/39/87/488193987.db2.gz DTNMGZYMBZRQCI-IJLUTSLNSA-N 2 0 212.337 0.953 20 0 BCADRP CO[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CC[C@H]1C ZINC000299903443 488194150 /nfs/dbraw/zinc/19/41/50/488194150.db2.gz DTNMGZYMBZRQCI-GRYCIOLGSA-N 2 0 212.337 0.953 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)CC1([NH3+])CC1 ZINC000398076420 488207563 /nfs/dbraw/zinc/20/75/63/488207563.db2.gz IUQQMELTJDUQIY-UHFFFAOYSA-N 2 0 227.352 0.668 20 0 BCADRP C(C1CC1)[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000043802725 488209179 /nfs/dbraw/zinc/20/91/79/488209179.db2.gz UHWUYVFZVAGNQN-ZDUSSCGKSA-N 2 0 239.363 0.002 20 0 BCADRP [NH3+]C1(CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000398109415 488211048 /nfs/dbraw/zinc/21/10/48/488211048.db2.gz WSUIFRNTOWYCSV-QWRGUYRKSA-N 2 0 237.347 0.611 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000375429976 490142931 /nfs/dbraw/zinc/14/29/31/490142931.db2.gz UVKRUZYTSSVJOJ-DBIOUOCHSA-N 2 0 225.336 0.323 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000652350132 490190369 /nfs/dbraw/zinc/19/03/69/490190369.db2.gz HOGPFDXNGRNFOJ-AVGNSLFASA-N 3 0 223.364 0.657 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H](C)[NH+](C)C ZINC000078741696 490225245 /nfs/dbraw/zinc/22/52/45/490225245.db2.gz SYGLIPDJAKRTEC-JTQLQIEISA-N 2 0 215.341 0.393 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC[NH+]3CC[C@H]2C3)CC[N@@H+]1C ZINC000615573428 490240679 /nfs/dbraw/zinc/24/06/79/490240679.db2.gz NKEKDFNAMDMZOX-GRYCIOLGSA-N 2 0 237.347 0.243 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000212547629 490297720 /nfs/dbraw/zinc/29/77/20/490297720.db2.gz IHTAALPMXIMOJZ-GHMZBOCLSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCCC1(C[NH3+])CC1 ZINC000653214791 490390763 /nfs/dbraw/zinc/39/07/63/490390763.db2.gz BHSAKVUSAAQIRF-VIFPVBQESA-N 2 0 213.325 0.215 20 0 BCADRP C[C@H]([NH3+])CNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000668613389 490409750 /nfs/dbraw/zinc/40/97/50/490409750.db2.gz IACQRHPSCYFSPE-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC[C@]12C[C@H]1C[NH2+]C2 ZINC000663499315 490451408 /nfs/dbraw/zinc/45/14/08/490451408.db2.gz VSXKCACDKXCSTH-NOOOWODRSA-N 2 0 209.337 0.184 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)CC1([NH3+])CCC1 ZINC000131160445 490619892 /nfs/dbraw/zinc/61/98/92/490619892.db2.gz QRPILFMATNPRLF-JTQLQIEISA-N 2 0 225.336 0.598 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000131716684 490654527 /nfs/dbraw/zinc/65/45/27/490654527.db2.gz IFOBWKGUYVRDHZ-NSHDSACASA-N 2 0 227.352 0.633 20 0 BCADRP OCC[C@@H]1CSCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000393776561 490689484 /nfs/dbraw/zinc/68/94/84/490689484.db2.gz YGMGWICYUNKRQU-WDEREUQCSA-N 2 0 230.377 0.396 20 0 BCADRP CCCC[C@@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000564722541 491090808 /nfs/dbraw/zinc/09/08/08/491090808.db2.gz MMUZNLLIWKEHMX-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662648664 491110317 /nfs/dbraw/zinc/11/03/17/491110317.db2.gz JDDULGCJXNTBHT-QWRGUYRKSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CSC1 ZINC000668475529 491121701 /nfs/dbraw/zinc/12/17/01/491121701.db2.gz SEJVVTIVOFHCFX-NSHDSACASA-N 2 0 245.436 0.963 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000653215165 491128325 /nfs/dbraw/zinc/12/83/25/491128325.db2.gz NFSXPAHFUREWLE-BETUJISGSA-N 2 0 247.342 0.760 20 0 BCADRP C[C@]1(C(=O)NCCC2(C[NH3+])CC2)CC[NH2+]C1 ZINC000653215775 491128411 /nfs/dbraw/zinc/12/84/11/491128411.db2.gz AIZMOOFGLMNRGD-NSHDSACASA-N 2 0 225.336 0.231 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H](C)CC[NH+](C)C ZINC000049559754 491128835 /nfs/dbraw/zinc/12/88/35/491128835.db2.gz HDBZAVPNBOKPGX-SNVBAGLBSA-N 2 0 215.341 0.442 20 0 BCADRP C[NH+](C)CCNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000124075265 491131819 /nfs/dbraw/zinc/13/18/19/491131819.db2.gz SDYDITHLRYDMHV-UHFFFAOYSA-N 2 0 247.342 0.624 20 0 BCADRP CN(CC[NH+]1CCCCC1)C[C@H]1C[NH2+]CCO1 ZINC000126615901 491131993 /nfs/dbraw/zinc/13/19/93/491131993.db2.gz WYPHJENVSPUAQX-CYBMUJFWSA-N 2 0 241.379 0.393 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000131910293 491133849 /nfs/dbraw/zinc/13/38/49/491133849.db2.gz VQPWLJIJJKBOHI-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H](CO)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000083218503 491160621 /nfs/dbraw/zinc/16/06/21/491160621.db2.gz BCBCPKICNSPIIH-GHMZBOCLSA-N 2 0 214.353 0.935 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351826835 535492358 /nfs/dbraw/zinc/49/23/58/535492358.db2.gz JTZMQSOXTLGJMM-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000494310806 533793481 /nfs/dbraw/zinc/79/34/81/533793481.db2.gz LCBCJRUMEVTCLL-IVZWLZJFSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000494310801 533794226 /nfs/dbraw/zinc/79/42/26/533794226.db2.gz LCBCJRUMEVTCLL-GUBZILKMSA-N 2 0 213.325 0.323 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000335305550 535516787 /nfs/dbraw/zinc/51/67/87/535516787.db2.gz QMOXPOXRGSEDRX-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H](NCCOCC[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000400438626 533858776 /nfs/dbraw/zinc/85/87/76/533858776.db2.gz LVOABESDBLMUGI-NWDGAFQWSA-N 2 0 229.368 0.295 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N(C)CCC[NH2+]C ZINC000087471789 535521100 /nfs/dbraw/zinc/52/11/00/535521100.db2.gz QBZWUOWSPZRTBV-LLVKDONJSA-N 2 0 215.341 0.572 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000891403216 582678594 /nfs/dbraw/zinc/67/85/94/582678594.db2.gz KEHSIRDJHFPOOX-DCAQKATOSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494643300 534077230 /nfs/dbraw/zinc/07/72/30/534077230.db2.gz PKUPZSKWNVDLOO-WOPDTQHZSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+](C)C ZINC000174591562 534226351 /nfs/dbraw/zinc/22/63/51/534226351.db2.gz CUXSEAFVQSXQGU-TXEJJXNPSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H]1CN(C(=O)/C=C\C[NH+](C)C)C[C@H](C)[N@H+]1C ZINC000493557576 534276065 /nfs/dbraw/zinc/27/60/65/534276065.db2.gz PWDAVZFXGLFKEU-MRJODMTISA-N 2 0 239.363 0.655 20 0 BCADRP CC1(C)CC[C@H](CNC(=O)NCCC[NH3+])[NH2+]C1 ZINC000891987105 582753556 /nfs/dbraw/zinc/75/35/56/582753556.db2.gz ZWDNWMYJSABTHL-SNVBAGLBSA-N 2 0 242.367 0.413 20 0 BCADRP CC(C)[NH+](CCNC(=O)[C@H]1CCC[NH2+]1)C(C)C ZINC000019412665 517440949 /nfs/dbraw/zinc/44/09/49/517440949.db2.gz HICGJASYXRPDQK-GFCCVEGCSA-N 2 0 241.379 0.973 20 0 BCADRP CC[NH2+]CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891997184 582757141 /nfs/dbraw/zinc/75/71/41/582757141.db2.gz WPTRGMTXRCVUFZ-MNOVXSKESA-N 2 0 240.351 0.132 20 0 BCADRP CCC1([NH3+])CCN(C(=O)NCC[NH2+]C)CC1 ZINC000891994102 582755930 /nfs/dbraw/zinc/75/59/30/582755930.db2.gz ORLLBGPPXREGLE-UHFFFAOYSA-N 2 0 228.340 0.119 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N(C)Cc1ncc[nH]1 ZINC000892018633 582762153 /nfs/dbraw/zinc/76/21/53/582762153.db2.gz MSQMMOHOFHYVGO-VIFPVBQESA-N 2 0 239.323 0.534 20 0 BCADRP CC(C)([NH3+])CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892032996 582767253 /nfs/dbraw/zinc/76/72/53/582767253.db2.gz BIBMYTSNIHLFTE-MGCOHNPYSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)NCCC(C)(C)[NH3+] ZINC000892045744 582771070 /nfs/dbraw/zinc/77/10/70/582771070.db2.gz VKVNLPHUIFMFJC-QMMMGPOBSA-N 2 0 216.329 0.008 20 0 BCADRP C[C@H](NCC1([NH3+])CCC1)[C@@H]1CCCC[NH2+]1 ZINC000332428711 518183119 /nfs/dbraw/zinc/18/31/19/518183119.db2.gz AEDPSCMJQLIVCO-QWRGUYRKSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@H]([NH3+])CNC(=O)NC1(C[NH3+])CCCCC1 ZINC000892102802 582791601 /nfs/dbraw/zinc/79/16/01/582791601.db2.gz KOTPOWPWAANMRU-VIFPVBQESA-N 2 0 228.340 0.294 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000565832266 519098745 /nfs/dbraw/zinc/09/87/45/519098745.db2.gz ILODGKWJGLDPRO-NHCYSSNCSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000892143645 582799779 /nfs/dbraw/zinc/79/97/79/582799779.db2.gz FDPLYGZAQFZCRT-OUAUKWLOSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892142245 582799970 /nfs/dbraw/zinc/79/99/70/582799970.db2.gz MUBBVYSWZQSWCH-GHHKWEBWSA-N 2 0 240.351 0.387 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892148334 582802283 /nfs/dbraw/zinc/80/22/83/582802283.db2.gz XTCIHSZQPALQTP-UMNHJUIQSA-N 2 0 240.351 0.308 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(CC(C)(C)[NH3+])[C@H]2C1 ZINC000261585451 536463941 /nfs/dbraw/zinc/46/39/41/536463941.db2.gz QJHVIEUNCJXKAU-MNOVXSKESA-N 2 0 211.353 0.750 20 0 BCADRP CC[N@H+](C)CCN[C@H]1CC[NH+](C)C[C@H]1C ZINC000309032790 527801896 /nfs/dbraw/zinc/80/18/96/527801896.db2.gz FZFFEUOCBCYWMG-NEPJUHHUSA-N 2 0 213.369 0.868 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000493823202 527806087 /nfs/dbraw/zinc/80/60/87/527806087.db2.gz RPDJEKMHSSKGMP-HBNTYKKESA-N 2 0 227.352 0.570 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000494900322 527818513 /nfs/dbraw/zinc/81/85/13/527818513.db2.gz JBDXAQLFIDTMLL-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH3+] ZINC000494689349 527823978 /nfs/dbraw/zinc/82/39/78/527823978.db2.gz HAYQJJYSVAOWPC-LLVKDONJSA-N 2 0 229.368 0.962 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000493937163 528347445 /nfs/dbraw/zinc/34/74/45/528347445.db2.gz NZAVLNHSGDTWOD-GHMZBOCLSA-N 2 0 229.368 0.818 20 0 BCADRP CCOC(=O)N1CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000496878521 529022565 /nfs/dbraw/zinc/02/25/65/529022565.db2.gz ZJBOAIDGZDWCPW-AXFHLTTASA-N 2 0 243.351 0.933 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000335347379 534983389 /nfs/dbraw/zinc/98/33/89/534983389.db2.gz YVNFYEFTUSIFGL-UWVGGRQHSA-N 2 0 225.336 0.243 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)c1coc(C[NH3+])c1 ZINC000335345315 534985939 /nfs/dbraw/zinc/98/59/39/534985939.db2.gz NXGQTRMRGDMANW-SNVBAGLBSA-N 2 0 237.303 0.609 20 0 BCADRP CCCNC(=O)CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000084221180 535049635 /nfs/dbraw/zinc/04/96/35/535049635.db2.gz XMPGSXFHLKWICO-QWRGUYRKSA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248563437 535049914 /nfs/dbraw/zinc/04/99/14/535049914.db2.gz BGPKDDGURFSVQU-NAKRPEOUSA-N 2 0 225.336 0.165 20 0 BCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)CCC[NH3+])C1 ZINC000168724245 535135429 /nfs/dbraw/zinc/13/54/29/535135429.db2.gz CNRKVBWQFYTQAV-GFCCVEGCSA-N 2 0 241.379 0.819 20 0 BCADRP CC(C)[C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000262590174 535135674 /nfs/dbraw/zinc/13/56/74/535135674.db2.gz QUAMEKJSVMJLFZ-NEPJUHHUSA-N 2 0 241.379 0.688 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000349986193 535147665 /nfs/dbraw/zinc/14/76/65/535147665.db2.gz IKQKZMWWRKHJOQ-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH3+])C1 ZINC000166354519 535174981 /nfs/dbraw/zinc/17/49/81/535174981.db2.gz HYAFWPUHZFKSDY-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)([NH3+])CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000335284618 535201951 /nfs/dbraw/zinc/20/19/51/535201951.db2.gz GDMSKORZMOFGNJ-SNVBAGLBSA-N 2 0 240.351 0.213 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262465414 535206685 /nfs/dbraw/zinc/20/66/85/535206685.db2.gz XPTNBCJVRVRHJM-AXFHLTTASA-N 2 0 239.363 0.761 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263254408 535207058 /nfs/dbraw/zinc/20/70/58/535207058.db2.gz QJJNENMXJTZIBR-CABZTGNLSA-N 2 0 227.352 0.748 20 0 BCADRP CC1(C)CN(C(=O)[C@@H]([NH3+])CC(F)F)CC[NH2+]1 ZINC000335599286 535341299 /nfs/dbraw/zinc/34/12/99/535341299.db2.gz SXPCTNVSUJQOGT-ZETCQYMHSA-N 2 0 235.278 0.179 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)CC[C@H](C)[NH3+] ZINC000261552494 535352847 /nfs/dbraw/zinc/35/28/47/535352847.db2.gz RNSUDYNVKPYQHO-UWVGGRQHSA-N 2 0 215.341 0.748 20 0 BCADRP CC[NH2+]CC1CC[NH+](Cc2cnnn2C)CC1 ZINC000347032980 535460129 /nfs/dbraw/zinc/46/01/29/535460129.db2.gz BNEIVGCLPNELCJ-UHFFFAOYSA-N 2 0 237.351 0.637 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000261929268 535481178 /nfs/dbraw/zinc/48/11/78/535481178.db2.gz YRZLHLMXRNVANT-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262824249 535493781 /nfs/dbraw/zinc/49/37/81/535493781.db2.gz PVESDRCXECQJCX-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261544808 535529389 /nfs/dbraw/zinc/52/93/89/535529389.db2.gz JCUPIYJYTFLKEQ-MWLCHTKSSA-N 2 0 213.325 0.357 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000252433434 535560120 /nfs/dbraw/zinc/56/01/20/535560120.db2.gz LSAZYPIATNNIAL-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C2C[NH2+]C2)C1 ZINC000164367204 535577798 /nfs/dbraw/zinc/57/77/98/535577798.db2.gz UEPRILLIBJGIPC-JQWIXIFHSA-N 2 0 239.363 0.442 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C[C@@H](C)[NH3+])C1 ZINC000261921517 535595360 /nfs/dbraw/zinc/59/53/60/535595360.db2.gz XRTJMSDCRSMRDL-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000336176992 535744324 /nfs/dbraw/zinc/74/43/24/535744324.db2.gz KRUSPFSVVXBICP-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C2C[NH2+]C2)C1 ZINC000262225861 535753481 /nfs/dbraw/zinc/75/34/81/535753481.db2.gz LGKYFJFEXHVCAQ-SNVBAGLBSA-N 2 0 225.336 0.006 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262652203 535760068 /nfs/dbraw/zinc/76/00/68/535760068.db2.gz VMGAZXYBWDHEFT-MDZLAQPJSA-N 2 0 239.363 0.857 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000085012524 535830332 /nfs/dbraw/zinc/83/03/32/535830332.db2.gz WQKVXIOYNRJNCJ-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085012519 535830627 /nfs/dbraw/zinc/83/06/27/535830627.db2.gz WQKVXIOYNRJNCJ-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CCC[NH2+]1 ZINC000262991267 535881909 /nfs/dbraw/zinc/88/19/09/535881909.db2.gz ZXJISDRWTKDEIA-GMXVVIOVSA-N 2 0 239.363 0.775 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000261542697 535888253 /nfs/dbraw/zinc/88/82/53/535888253.db2.gz CIHKRVDXNGMOEM-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH+](C)CCNC(=O)c1coc(C[NH3+])c1 ZINC000261581687 535892023 /nfs/dbraw/zinc/89/20/23/535892023.db2.gz NRCVQZCNGNQWIK-UHFFFAOYSA-N 2 0 211.265 0.030 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000335939358 535942191 /nfs/dbraw/zinc/94/21/91/535942191.db2.gz FLAFIJACXINVNH-NEPJUHHUSA-N 2 0 239.363 0.491 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335369253 535961493 /nfs/dbraw/zinc/96/14/93/535961493.db2.gz VIKZMUMULQHAGL-SNVBAGLBSA-N 2 0 225.336 0.006 20 0 BCADRP C[NH+](C)C[C@H]1CN(C[C@H]2CCC[NH2+]C2)CCO1 ZINC000346844096 535969400 /nfs/dbraw/zinc/96/94/00/535969400.db2.gz YTCCNBGUPKFKQZ-STQMWFEESA-N 2 0 241.379 0.248 20 0 BCADRP CC[C@@]1(C(=O)N(C)CC(C)(C)C[NH3+])CCC[NH2+]1 ZINC000262468860 536023173 /nfs/dbraw/zinc/02/31/73/536023173.db2.gz YRJWGCZWXWDTSC-ZDUSSCGKSA-N 2 0 241.379 0.962 20 0 BCADRP CN(CCC1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000261540022 536323634 /nfs/dbraw/zinc/32/36/34/536323634.db2.gz DOHVIXQUOUQIBP-LBPRGKRZSA-N 2 0 211.353 0.670 20 0 BCADRP C[N@H+](CCCF)CCCN1CC[NH+](C)CC1 ZINC000182952655 536342037 /nfs/dbraw/zinc/34/20/37/536342037.db2.gz IMFWTESJERTHGV-UHFFFAOYSA-N 2 0 231.359 0.915 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000334940304 536357927 /nfs/dbraw/zinc/35/79/27/536357927.db2.gz WTPYNROUIZFUNY-GHMZBOCLSA-N 2 0 240.351 0.132 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000178405618 536358770 /nfs/dbraw/zinc/35/87/70/536358770.db2.gz VDZNVUGQAMDMGO-OLZOCXBDSA-N 2 0 247.342 0.897 20 0 BCADRP CN(CC[NH3+])C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000335402053 536367670 /nfs/dbraw/zinc/36/76/70/536367670.db2.gz YMHCDYBZDCRAAR-LBPRGKRZSA-N 2 0 233.315 0.291 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[NH2+][C@H]2C(C)C)C1 ZINC000353166716 536373628 /nfs/dbraw/zinc/37/36/28/536373628.db2.gz KCJOXIAFJJUURJ-WOPDTQHZSA-N 2 0 239.363 0.441 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]1CCCCC[NH2+]1)C1CC1 ZINC000081001028 536384417 /nfs/dbraw/zinc/38/44/17/536384417.db2.gz YSZZOGVRZPJSNQ-LBPRGKRZSA-N 2 0 239.363 0.729 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261540043 536391264 /nfs/dbraw/zinc/39/12/64/536391264.db2.gz DCOLRPRIGZQOBA-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000086066072 536461416 /nfs/dbraw/zinc/46/14/16/536461416.db2.gz FJKFYRLLNCEGDY-JTQLQIEISA-N 2 0 227.352 0.395 20 0 BCADRP COC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)OC ZINC000227711670 536854461 /nfs/dbraw/zinc/85/44/61/536854461.db2.gz MVMGRKJPDCPJBB-QNWHQSFQSA-N 2 0 244.379 0.966 20 0 BCADRP C[C@H]1CN(C(=O)NCCC(C)(C)[NH3+])CC[NH2+]1 ZINC000892850784 582995799 /nfs/dbraw/zinc/99/57/99/582995799.db2.gz NODLYSQWNJLGIJ-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP CCC1([NH3+])CCN(C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000892932735 583011820 /nfs/dbraw/zinc/01/18/20/583011820.db2.gz AGXNROAOIDOYKC-SNVBAGLBSA-N 2 0 240.351 0.343 20 0 BCADRP CCC1([NH3+])CCN(C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000892933753 583011944 /nfs/dbraw/zinc/01/19/44/583011944.db2.gz OOOYHDKEPQZTTC-SNVBAGLBSA-N 2 0 242.367 0.589 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)CCCCC[NH3+] ZINC000224044436 583182269 /nfs/dbraw/zinc/18/22/69/583182269.db2.gz ZNIQKAGSKARXSC-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP COCCN(CCO)Cc1c(C)ccnc1N ZINC000893996111 583266951 /nfs/dbraw/zinc/26/69/51/583266951.db2.gz UJRGTSDRHHBSKE-UHFFFAOYSA-N 2 0 239.319 0.413 20 0 BCADRP C(N1CC[C@@]2(C1)CCC[NH2+]C2)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000853246272 588728475 /nfs/dbraw/zinc/72/84/75/588728475.db2.gz IZWVOKIAGXUEHY-RDBSUJKOSA-N 2 0 235.375 0.671 20 0 BCADRP COC(=O)N(C)CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000854226157 588780652 /nfs/dbraw/zinc/78/06/52/588780652.db2.gz CZKHAWQTXOZAJA-WDEREUQCSA-N 2 0 243.351 0.934 20 0 BCADRP COC(=O)N(C)CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000854226154 588780738 /nfs/dbraw/zinc/78/07/38/588780738.db2.gz CZKHAWQTXOZAJA-GHMZBOCLSA-N 2 0 243.351 0.934 20 0 BCADRP CC(C)NC(=[NH2+])NC[C@@H](C)[NH+]1CCCC1 ZINC000112800796 588817242 /nfs/dbraw/zinc/81/72/42/588817242.db2.gz KVSQNQOQAGPMDU-SNVBAGLBSA-N 2 0 212.341 0.993 20 0 BCADRP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH+](C)C ZINC000855416014 588832133 /nfs/dbraw/zinc/83/21/33/588832133.db2.gz RWGLAQIALPSCIT-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000891403219 582678484 /nfs/dbraw/zinc/67/84/84/582678484.db2.gz KEHSIRDJHFPOOX-OUAUKWLOSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891450371 582689522 /nfs/dbraw/zinc/68/95/22/582689522.db2.gz HEOJJGYXMGFRFZ-GMTAPVOTSA-N 2 0 242.367 0.363 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC[N@H+](C)C1CC1 ZINC000891545052 582695564 /nfs/dbraw/zinc/69/55/64/582695564.db2.gz HQHNVAOXJCKVPF-VHSXEESVSA-N 2 0 240.351 0.212 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CCCNC(=O)C2)CC1 ZINC000891810842 582725066 /nfs/dbraw/zinc/72/50/66/582725066.db2.gz XQMVBQUOYVSOMC-UHFFFAOYSA-N 2 0 225.336 0.150 20 0 BCADRP OCc1c[nH+]ccc1NCC[NH+]1CCCCC1 ZINC000891838238 582728431 /nfs/dbraw/zinc/72/84/31/582728431.db2.gz ZDGBTSBISQAFAY-UHFFFAOYSA-N 2 0 235.331 0.894 20 0 BCADRP CC[NH2+]CCCNC(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000891966427 582749093 /nfs/dbraw/zinc/74/90/93/582749093.db2.gz NQBFBYBWLAKFBY-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)NCCC[NH3+])C1 ZINC000891985021 582752718 /nfs/dbraw/zinc/75/27/18/582752718.db2.gz RDZOHCUMJOKLDM-SNVBAGLBSA-N 2 0 242.367 0.413 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891997034 582757324 /nfs/dbraw/zinc/75/73/24/582757324.db2.gz QILUSLVYZQUOFW-ZYHUDNBSSA-N 2 0 240.351 0.180 20 0 BCADRP CC[NH2+]CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891997186 582757395 /nfs/dbraw/zinc/75/73/95/582757395.db2.gz WPTRGMTXRCVUFZ-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)N[C@@H]1CC[NH2+]C1 ZINC000892001096 582757969 /nfs/dbraw/zinc/75/79/69/582757969.db2.gz DSNCUFNAQHJZIJ-GRZMOONWSA-N 2 0 238.335 0.014 20 0 BCADRP CCN(C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000892015871 582761823 /nfs/dbraw/zinc/76/18/23/582761823.db2.gz CTJWFJWKTVBZJQ-GHMZBOCLSA-N 2 0 240.351 0.132 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N(C)Cc1ncc[nH]1 ZINC000892018632 582762848 /nfs/dbraw/zinc/76/28/48/582762848.db2.gz MSQMMOHOFHYVGO-SECBINFHSA-N 2 0 239.323 0.534 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892020508 582763439 /nfs/dbraw/zinc/76/34/39/582763439.db2.gz XLWLAJDNQZFWKX-OPRDCNLKSA-N 2 0 228.340 0.006 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000892020651 582764665 /nfs/dbraw/zinc/76/46/65/582764665.db2.gz YELJQEBXOJXKGT-IVZWLZJFSA-N 2 0 228.340 0.101 20 0 BCADRP CCC1([NH3+])CCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000892033165 582767850 /nfs/dbraw/zinc/76/78/50/582767850.db2.gz CPKBGSDZAWQLMQ-UHFFFAOYSA-N 2 0 242.367 0.637 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892040937 582770147 /nfs/dbraw/zinc/77/01/47/582770147.db2.gz PQXOUANJOBQBLH-OUAUKWLOSA-N 2 0 242.367 0.540 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892040934 582770254 /nfs/dbraw/zinc/77/02/54/582770254.db2.gz PQXOUANJOBQBLH-GMTAPVOTSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000892061000 582780194 /nfs/dbraw/zinc/78/01/94/582780194.db2.gz CCMYYHQEEWJIIC-NXEZZACHSA-N 2 0 228.340 0.247 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892078051 582786825 /nfs/dbraw/zinc/78/68/25/582786825.db2.gz MXIITSVYEQVZPG-MMWGEVLESA-N 2 0 240.351 0.021 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N1CC[NH2+]CCC12CCC2 ZINC000892093115 582789125 /nfs/dbraw/zinc/78/91/25/582789125.db2.gz MSWSPEXRROTSJS-JTQLQIEISA-N 2 0 240.351 0.261 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000892098117 582790650 /nfs/dbraw/zinc/79/06/50/582790650.db2.gz XRRPLEDLQJCDLE-CHWFTXMASA-N 2 0 240.351 0.163 20 0 BCADRP [NH3+]C/C=C/CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000892124011 582795532 /nfs/dbraw/zinc/79/55/32/582795532.db2.gz NKPBHVHBHMVCCP-YBNRLKPGSA-N 2 0 226.324 0.070 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C(=O)NC/C=C\C[NH3+] ZINC000892123147 582795777 /nfs/dbraw/zinc/79/57/77/582795777.db2.gz YWDIOGGXSHLVLF-DLRQAJBASA-N 2 0 240.351 0.285 20 0 BCADRP C[C@@H](NC(=O)N1CCCCC[C@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000892141252 582799264 /nfs/dbraw/zinc/79/92/64/582799264.db2.gz IAQJCYQAXVSYEH-AXFHLTTASA-N 2 0 242.367 0.635 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NC1(C[NH3+])CCCCC1 ZINC000892144328 582799557 /nfs/dbraw/zinc/79/95/57/582799557.db2.gz VAZISOCDOBCOKX-ZJUUUORDSA-N 2 0 242.367 0.683 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000892144141 582800621 /nfs/dbraw/zinc/80/06/21/582800621.db2.gz HXIMZERWRDGTIR-UTLUCORTSA-N 2 0 228.340 0.245 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892144218 582800864 /nfs/dbraw/zinc/80/08/64/582800864.db2.gz SSFCJQOLXYYZFG-NAKRPEOUSA-N 2 0 242.367 0.539 20 0 BCADRP C[C@@H](NC(=O)N1CC[N@H+](C)C(C)(C)C1)[C@H](C)[NH3+] ZINC000892147833 582801002 /nfs/dbraw/zinc/80/10/02/582801002.db2.gz WZFXSJCQAAOHFF-VHSXEESVSA-N 2 0 242.367 0.458 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000892146730 582801346 /nfs/dbraw/zinc/80/13/46/582801346.db2.gz QAMLGOBTEKGVDT-AXTSPUMRSA-N 2 0 228.340 0.291 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000892148250 582801787 /nfs/dbraw/zinc/80/17/87/582801787.db2.gz WLEJZWKPBZRVMW-JTQLQIEISA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC1([NH3+])CCCC1 ZINC000892249221 582813214 /nfs/dbraw/zinc/81/32/14/582813214.db2.gz NWEOIMGXYOWQOC-ZJUUUORDSA-N 2 0 240.351 0.389 20 0 BCADRP C[NH+]1CCC(CNc2cc[nH+]cc2CO)CC1 ZINC000892254542 582813934 /nfs/dbraw/zinc/81/39/34/582813934.db2.gz OYSKZOZAZMEJMD-UHFFFAOYSA-N 2 0 235.331 0.750 20 0 BCADRP C[C@H]1CN(C(=[NH2+])NCCCC[NH+](C)C)CCO1 ZINC000848989765 582818734 /nfs/dbraw/zinc/81/87/34/582818734.db2.gz AAASLJXNKBGHKZ-NSHDSACASA-N 2 0 242.367 0.573 20 0 BCADRP CN1CCC[NH+]=C1NCC[NH2+]C(C)(C)C ZINC000849006063 582822692 /nfs/dbraw/zinc/82/26/92/582822692.db2.gz PXFUVECRKTUHOU-UHFFFAOYSA-N 2 0 212.341 0.656 20 0 BCADRP Cn1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000393632166 582829870 /nfs/dbraw/zinc/82/98/70/582829870.db2.gz MZPQVWOUCGVGRF-RYUDHWBXSA-N 2 0 205.305 0.676 20 0 BCADRP CCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCCO ZINC000849034570 582835980 /nfs/dbraw/zinc/83/59/80/582835980.db2.gz YTMVSIPQSRJDMF-LLVKDONJSA-N 2 0 242.367 0.357 20 0 BCADRP Cc1cc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)nc(N)[nH+]1 ZINC000135266878 582871528 /nfs/dbraw/zinc/87/15/28/582871528.db2.gz AQDFQBWLBXMOPC-AOOOYVTPSA-N 2 0 235.335 0.896 20 0 BCADRP CN(CC[NH3+])C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892383665 582873797 /nfs/dbraw/zinc/87/37/97/582873797.db2.gz GMJLPJVLTKJVKN-JTQLQIEISA-N 2 0 242.367 0.365 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000892435746 582886932 /nfs/dbraw/zinc/88/69/32/582886932.db2.gz DBPWMPUTZUCMEJ-GMTAPVOTSA-N 2 0 240.351 0.247 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)N1CC[C@@H]([NH3+])C1 ZINC000892455659 582891861 /nfs/dbraw/zinc/89/18/61/582891861.db2.gz KAUAJLIKGACKFU-GRZMOONWSA-N 2 0 238.335 0.095 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892568473 582915474 /nfs/dbraw/zinc/91/54/74/582915474.db2.gz TYDQEIGCVBWWGF-KYZUINATSA-N 2 0 228.340 0.150 20 0 BCADRP C[C@@H](CCCCO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000398358502 583128610 /nfs/dbraw/zinc/12/86/10/583128610.db2.gz CLILZYSLBDOBNV-QWHCGFSZSA-N 2 0 244.379 0.584 20 0 BCADRP CCn1ncc(CN2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000857084703 588886425 /nfs/dbraw/zinc/88/64/25/588886425.db2.gz XZRYLVLNERBNAJ-ZJUUUORDSA-N 2 0 223.324 0.467 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000857103129 588886767 /nfs/dbraw/zinc/88/67/67/588886767.db2.gz CAJHEAKHCSKBNF-UTLUCORTSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000857104317 588887367 /nfs/dbraw/zinc/88/73/67/588887367.db2.gz SAKLCPILZGIKOE-IVZWLZJFSA-N 2 0 228.340 0.293 20 0 BCADRP C[C@@H](NC(=O)NCC[C@H](C)[NH3+])[C@H]1CCC[NH2+]C1 ZINC000857103974 588887718 /nfs/dbraw/zinc/88/77/18/588887718.db2.gz HNWDTZIUFWGZFL-AXFHLTTASA-N 2 0 242.367 0.411 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000857106787 588888091 /nfs/dbraw/zinc/88/80/91/588888091.db2.gz AALNMQFHLGEMAZ-AXFHLTTASA-N 2 0 240.351 0.117 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000857106790 588888095 /nfs/dbraw/zinc/88/80/95/588888095.db2.gz AALNMQFHLGEMAZ-HBNTYKKESA-N 2 0 240.351 0.117 20 0 BCADRP Cc1cc(N)nc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)n1 ZINC000893990773 583265951 /nfs/dbraw/zinc/26/59/51/583265951.db2.gz PAVMHHVRCXTGAK-AOOOYVTPSA-N 2 0 235.335 0.896 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)NCC[C@H](C)[NH3+])CC1 ZINC000857111671 588889422 /nfs/dbraw/zinc/88/94/22/588889422.db2.gz RIWYCVJNIAMULE-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N(C)CC[NH+]1CCCC1 ZINC000857112597 588889628 /nfs/dbraw/zinc/88/96/28/588889628.db2.gz GKUDZWDNEBDBES-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000877243173 583304813 /nfs/dbraw/zinc/30/48/13/583304813.db2.gz IIPSVHTVTUOLDL-CIUDSAMLSA-N 2 0 247.289 0.085 20 0 BCADRP Cn1cnc(CCNc2cc[nH+]cc2CO)c1 ZINC000894150441 583319540 /nfs/dbraw/zinc/31/95/40/583319540.db2.gz ANJQWCAEAHHVEJ-UHFFFAOYSA-N 2 0 232.287 0.384 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000841849406 583367696 /nfs/dbraw/zinc/36/76/96/583367696.db2.gz RLRTVCZBIRZRCD-CMPLNLGQSA-N 2 0 243.326 0.289 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000841850542 583388187 /nfs/dbraw/zinc/38/81/87/583388187.db2.gz DPDFCTUGWQAIHE-RYUDHWBXSA-N 2 0 239.363 0.844 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CC(=O)NCC2(C)C)CC1 ZINC000894260521 583399107 /nfs/dbraw/zinc/39/91/07/583399107.db2.gz BBWTZAUEAZDGJS-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000333684411 583417897 /nfs/dbraw/zinc/41/78/97/583417897.db2.gz ZYWDSDILPMBJMY-HBNTYKKESA-N 2 0 239.363 0.631 20 0 BCADRP C[C@@H]1CCN(C(=O)C[C@H]([NH3+])C2CC2)C[C@H]1C[NH3+] ZINC000841856930 583435938 /nfs/dbraw/zinc/43/59/38/583435938.db2.gz QOWXSQAGCQMXAN-JLLWLGSASA-N 2 0 239.363 0.557 20 0 BCADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cnc[nH]1 ZINC000894399002 583448773 /nfs/dbraw/zinc/44/87/73/583448773.db2.gz BWUVFENJTRGFTH-GFCCVEGCSA-N 2 0 240.351 0.856 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](CC(N)=O)C2)CC1 ZINC000894519228 583476944 /nfs/dbraw/zinc/47/69/44/583476944.db2.gz GHJKQKKKXCKXOI-GFCCVEGCSA-N 2 0 239.363 0.526 20 0 BCADRP Cc1cc(N)nc(N(C)CC2C[NH+](C)C2)[nH+]1 ZINC000894541913 583481247 /nfs/dbraw/zinc/48/12/47/583481247.db2.gz ZSEDDAZZWFLBQC-UHFFFAOYSA-N 2 0 221.308 0.365 20 0 BCADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1c[nH]cn1 ZINC000894766818 583519242 /nfs/dbraw/zinc/51/92/42/583519242.db2.gz UVZYYXHFUIWXOA-UHFFFAOYSA-N 2 0 239.367 0.335 20 0 BCADRP CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cnc[nH]1 ZINC000894889602 583547828 /nfs/dbraw/zinc/54/78/28/583547828.db2.gz VSMSVDJSKBCVAB-GXSJLCMTSA-N 2 0 225.292 0.551 20 0 BCADRP CC(=O)OC[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000895204930 583625175 /nfs/dbraw/zinc/62/51/75/583625175.db2.gz KVRTYWDYBMNXFI-JLLWLGSASA-N 2 0 228.336 0.868 20 0 BCADRP CN1CC(C[N@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000895361989 583660851 /nfs/dbraw/zinc/66/08/51/583660851.db2.gz IHHFEVFIFYKNDX-UHFFFAOYSA-N 2 0 225.380 0.822 20 0 BCADRP C[C@H](CC[NH2+]C1CCN(C=O)CC1)[NH+](C)C ZINC000895427709 583668511 /nfs/dbraw/zinc/66/85/11/583668511.db2.gz DSGLTMQQCAOMHN-LLVKDONJSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C ZINC000895681342 583708948 /nfs/dbraw/zinc/70/89/48/583708948.db2.gz QXAWJLWWGDJWLV-MNOVXSKESA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+]1CCCC1 ZINC000895685127 583709644 /nfs/dbraw/zinc/70/96/44/583709644.db2.gz KDUVPXSWGBIIQB-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP C[N@@H+]1CC[C@@H]1CNc1cc[nH+]cc1CO ZINC000895767247 583719996 /nfs/dbraw/zinc/71/99/96/583719996.db2.gz JHRNRHMEYUEGFZ-SNVBAGLBSA-N 2 0 207.277 0.112 20 0 BCADRP C[C@@H]1[C@H]([NH2+][C@@H]2CCNC(=O)CC2)CCN1C ZINC000896555167 583811897 /nfs/dbraw/zinc/81/18/97/583811897.db2.gz NPMLHYCHJAQQBG-OUAUKWLOSA-N 2 0 225.336 0.337 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH2+]C3CC3)CC[C@H]21 ZINC000870982262 583932927 /nfs/dbraw/zinc/93/29/27/583932927.db2.gz MDIJDXXCWBHZIH-ZYHUDNBSSA-N 2 0 237.347 0.291 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@@H]2C[C@@H]2C)C1 ZINC000864453310 584005490 /nfs/dbraw/zinc/00/54/90/584005490.db2.gz UNKZIPYRTDCPHD-HBNTYKKESA-N 2 0 224.352 0.851 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C1CC(CCO)C1 ZINC000898008817 584071235 /nfs/dbraw/zinc/07/12/35/584071235.db2.gz VVPDLKHXYICVID-YYJSSNLHSA-N 2 0 212.337 0.687 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)CC1 ZINC000898183782 584093103 /nfs/dbraw/zinc/09/31/03/584093103.db2.gz NEARCJXDTIOYIC-VXGBXAGGSA-N 2 0 230.327 0.733 20 0 BCADRP COCCN(C)CCNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899264805 584189018 /nfs/dbraw/zinc/18/90/18/584189018.db2.gz MCEBOGPQMKGTMB-SNVBAGLBSA-N 2 0 242.367 0.477 20 0 BCADRP C[C@@H](NC(=[NH2+])NC[C@H]1CC[N@H+](C)C1)C1CC1 ZINC000899266320 584189603 /nfs/dbraw/zinc/18/96/03/584189603.db2.gz RLRUKPITYQIQAP-NXEZZACHSA-N 2 0 224.352 0.851 20 0 BCADRP C[C@@H](NC(=[NH2+])NCCNc1cc[nH+]cc1)C1CC1 ZINC000899265201 584189725 /nfs/dbraw/zinc/18/97/25/584189725.db2.gz UIVQMRUBMQEEQQ-SNVBAGLBSA-N 2 0 247.346 0.828 20 0 BCADRP OC1(c2ccc(C=C3C[NH2+]C3)cc2)C[NH2+]C1 ZINC000899328588 584197944 /nfs/dbraw/zinc/19/79/44/584197944.db2.gz WCNYRYGTQWZEGN-UHFFFAOYSA-N 2 0 216.284 0.464 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)C2(O)CCC2)C1 ZINC000899891761 584248855 /nfs/dbraw/zinc/24/88/55/584248855.db2.gz SASRYTSORPNVBS-GRYCIOLGSA-N 2 0 242.363 0.192 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CCC12CC[NH+](C)CC2 ZINC000899910101 584252500 /nfs/dbraw/zinc/25/25/00/584252500.db2.gz JODPYGTZSIKWAE-GFCCVEGCSA-N 2 0 242.363 0.554 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CCC12CC[NH+](C)CC2 ZINC000899910105 584252524 /nfs/dbraw/zinc/25/25/24/584252524.db2.gz JODPYGTZSIKWAE-LBPRGKRZSA-N 2 0 242.363 0.554 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC12CC[NH+](C)CC2 ZINC000899911391 584252938 /nfs/dbraw/zinc/25/29/38/584252938.db2.gz UCAUPINDNQHLCE-NSHDSACASA-N 2 0 228.336 0.164 20 0 BCADRP C[NH+]1CCC2(CC[N@@H+]2CCC(N)=O)CC1 ZINC000899911672 584253400 /nfs/dbraw/zinc/25/34/00/584253400.db2.gz WHGFBYKFBOQDPB-UHFFFAOYSA-N 2 0 211.309 0.032 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2COCCO2)C1 ZINC000902319399 584551596 /nfs/dbraw/zinc/55/15/96/584551596.db2.gz NCMQKQBHCFAKCD-NEPJUHHUSA-N 2 0 242.363 0.770 20 0 BCADRP COC[C@@H](CCO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358320 584570461 /nfs/dbraw/zinc/57/04/61/584570461.db2.gz AHSCDBISGURVDX-VXGBXAGGSA-N 2 0 244.379 0.752 20 0 BCADRP COC[C@H](CCO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358311 584570647 /nfs/dbraw/zinc/57/06/47/584570647.db2.gz AHSCDBISGURVDX-NEPJUHHUSA-N 2 0 244.379 0.752 20 0 BCADRP CC(C)(C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C(N)=O ZINC000902364221 584573145 /nfs/dbraw/zinc/57/31/45/584573145.db2.gz PYGZMVUIIQZTLU-JTQLQIEISA-N 2 0 241.379 0.866 20 0 BCADRP C[NH+](C)C[C@@H](O)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902365345 584573349 /nfs/dbraw/zinc/57/33/49/584573349.db2.gz ZGRIWBZLOIEINE-RYUDHWBXSA-N 2 0 243.395 0.277 20 0 BCADRP [NH3+]C1(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000902410146 584575350 /nfs/dbraw/zinc/57/53/50/584575350.db2.gz OYKVRYVNRDWXSI-LADJIXMOSA-N 2 0 207.321 0.064 20 0 BCADRP [NH3+]C1(CN[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000902411390 584576210 /nfs/dbraw/zinc/57/62/10/584576210.db2.gz ZAHKBPQHRVPZDU-JTQLQIEISA-N 2 0 209.337 0.742 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902383195 584576594 /nfs/dbraw/zinc/57/65/94/584576594.db2.gz CZCZNKOSSVGNSW-MNOVXSKESA-N 2 0 230.352 0.362 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2COC[C@H]2O)C1 ZINC000902385771 584578247 /nfs/dbraw/zinc/57/82/47/584578247.db2.gz AOQSFMGNJKXLFX-HBNTYKKESA-N 2 0 228.336 0.114 20 0 BCADRP CC[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C(=O)NC ZINC000902391546 584582080 /nfs/dbraw/zinc/58/20/80/584582080.db2.gz YJSBUXQXLUOYLS-WDEREUQCSA-N 2 0 241.379 0.879 20 0 BCADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C(=O)NC ZINC000902391543 584582151 /nfs/dbraw/zinc/58/21/51/584582151.db2.gz YJSBUXQXLUOYLS-MNOVXSKESA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H](C[NH3+])CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902393240 584583524 /nfs/dbraw/zinc/58/35/24/584583524.db2.gz NXECPNPGETYBMF-WDEREUQCSA-N 2 0 213.369 0.949 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2COCCN2)C1 ZINC000902397025 584585534 /nfs/dbraw/zinc/58/55/34/584585534.db2.gz LUVTUYHBMIRFBM-VXGBXAGGSA-N 2 0 241.379 0.343 20 0 BCADRP C[N@@H+]1CC[C@H](NCC2([NH3+])CC2)[C@@H]2CCC[C@@H]21 ZINC000902403601 584588237 /nfs/dbraw/zinc/58/82/37/584588237.db2.gz ADXBKRRBSLLXCP-SRVKXCTJSA-N 2 0 223.364 0.940 20 0 BCADRP NOCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000902415400 584589595 /nfs/dbraw/zinc/58/95/95/584589595.db2.gz NIFHWAGALBOHQP-JTQLQIEISA-N 2 0 213.325 0.531 20 0 BCADRP NOCCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000902415451 584589906 /nfs/dbraw/zinc/58/99/06/584589906.db2.gz OCYNCWPFMCUJQB-NXEZZACHSA-N 2 0 201.314 0.516 20 0 BCADRP CC1(C)[C@@H]([NH2+]CCCON)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902416651 584590234 /nfs/dbraw/zinc/59/02/34/584590234.db2.gz VOGXRMOUUIPTRT-VWYCJHECSA-N 2 0 227.352 0.633 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCCON)CC[N@@H+]1C ZINC000902420522 584592459 /nfs/dbraw/zinc/59/24/59/584592459.db2.gz XZCMAXTYXXSWEF-ZJUUUORDSA-N 2 0 201.314 0.339 20 0 BCADRP CC(C)[NH+]1CCC([NH2+]CCCON)CC1 ZINC000902430213 584594987 /nfs/dbraw/zinc/59/49/87/584594987.db2.gz IFEBUGXXRIGODT-UHFFFAOYSA-N 2 0 215.341 0.729 20 0 BCADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902441628 584597547 /nfs/dbraw/zinc/59/75/47/584597547.db2.gz FISDYYUULWIHAE-NNYUYHANSA-N 2 0 241.379 0.326 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000902440932 584597615 /nfs/dbraw/zinc/59/76/15/584597615.db2.gz BLGTWSYDXSVLPP-MXWKQRLJSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902441589 584597943 /nfs/dbraw/zinc/59/79/43/584597943.db2.gz FEPYIVSFPCNKOL-VWYCJHECSA-N 2 0 212.337 0.999 20 0 BCADRP CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000902456218 584609894 /nfs/dbraw/zinc/60/98/94/584609894.db2.gz ODOCJKSWASNHHI-UKKRHICBSA-N 2 0 216.325 0.506 20 0 BCADRP Cn1nnnc1CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000902458011 584610164 /nfs/dbraw/zinc/61/01/64/584610164.db2.gz WRHIPGLKOZSIQC-UWVGGRQHSA-N 2 0 238.339 0.002 20 0 BCADRP Cn1nnnc1CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000902458015 584610203 /nfs/dbraw/zinc/61/02/03/584610203.db2.gz WRHIPGLKOZSIQC-ZJUUUORDSA-N 2 0 238.339 0.002 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902460310 584611228 /nfs/dbraw/zinc/61/12/28/584611228.db2.gz GQEAVMQYZNFKJJ-RNWYCLNJSA-N 2 0 209.337 0.739 20 0 BCADRP C1CC2(C1)[NH2+]CC[C@@H]2N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461498 584611738 /nfs/dbraw/zinc/61/17/38/584611738.db2.gz NYLVLYGBLNBDDI-QCNOEVLYSA-N 2 0 221.348 0.754 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461253 584611739 /nfs/dbraw/zinc/61/17/39/584611739.db2.gz NFKNZTYZHMWRSZ-IYKVGLELSA-N 2 0 209.337 0.596 20 0 BCADRP C1C[C@@H]2[NH2+][C@H]1C[C@@H]2[NH2+][C@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000902462391 584612241 /nfs/dbraw/zinc/61/22/41/584612241.db2.gz VNLUXSMFYWQZSE-XNJGVTPASA-N 3 0 235.375 0.857 20 0 BCADRP C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1CCCC[NH2+]1 ZINC000902462648 584612325 /nfs/dbraw/zinc/61/23/25/584612325.db2.gz WTXUJTNNOVOKHJ-NZEXEKPDSA-N 2 0 223.364 1.000 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902464644 584612837 /nfs/dbraw/zinc/61/28/37/584612837.db2.gz BCSLMKRCKRICPO-KZZRWZIVSA-N 2 0 209.337 0.609 20 0 BCADRP C[C@H]1C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[N@@H+]1C ZINC000902464867 584613120 /nfs/dbraw/zinc/61/31/20/584613120.db2.gz DHRBAWBGBKNTPX-JZRPKSSGSA-N 2 0 223.364 0.952 20 0 BCADRP C[C@H](C[C@H]1COCC[NH2+]1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466237 584613806 /nfs/dbraw/zinc/61/38/06/584613806.db2.gz KRVAHMLNPMXFBN-NAWOPXAZSA-N 2 0 239.363 0.236 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902465885 584613978 /nfs/dbraw/zinc/61/39/78/584613978.db2.gz GQEAVMQYZNFKJJ-CSYMLDBXSA-N 2 0 209.337 0.739 20 0 BCADRP C[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902467634 584614517 /nfs/dbraw/zinc/61/45/17/584614517.db2.gz PXPGWJXIJJXXQR-KZZRWZIVSA-N 2 0 210.321 0.894 20 0 BCADRP COC[C@@H](CCC[NH3+])N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468825 584615514 /nfs/dbraw/zinc/61/55/14/584615514.db2.gz WLEXWXLZWBQQLX-WISYIIOYSA-N 3 0 227.352 0.223 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470823 584616769 /nfs/dbraw/zinc/61/67/69/584616769.db2.gz HGLIZGVUWGEIHH-YRASXDPISA-N 2 0 235.375 0.952 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902490792 584618243 /nfs/dbraw/zinc/61/82/43/584618243.db2.gz VRBDQYCLHCTAOT-KKOKHZNYSA-N 3 0 211.353 0.701 20 0 BCADRP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902490553 584618255 /nfs/dbraw/zinc/61/82/55/584618255.db2.gz WOZUJLASZFHZPA-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H](CCCCO)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486111 584625298 /nfs/dbraw/zinc/62/52/98/584625298.db2.gz PSOBTVJGRMHTSA-DCAQKATOSA-N 2 0 200.326 0.864 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000902485996 584625472 /nfs/dbraw/zinc/62/54/72/584625472.db2.gz DSKWPCYBTJRRGC-LPWJVIDDSA-N 3 0 223.364 0.940 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000902487699 584626603 /nfs/dbraw/zinc/62/66/03/584626603.db2.gz LXKFYAZZQCZKSI-FIQHERPVSA-N 3 0 211.353 0.973 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000902517445 584629857 /nfs/dbraw/zinc/62/98/57/584629857.db2.gz HROOMRWOVUWVPK-USZNOCQGSA-N 2 0 210.321 0.881 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000902517448 584629914 /nfs/dbraw/zinc/62/99/14/584629914.db2.gz HROOMRWOVUWVPK-WYUUTHIRSA-N 2 0 210.321 0.881 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cn(C)nn1 ZINC000903042983 584720599 /nfs/dbraw/zinc/72/05/99/584720599.db2.gz MRKMQUCJDUEIHI-GARJFASQSA-N 2 0 237.351 0.806 20 0 BCADRP C[NH+](C)CCCC[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903083948 584724822 /nfs/dbraw/zinc/72/48/22/584724822.db2.gz RHWPCGUOCWNURG-OLZOCXBDSA-N 2 0 242.363 0.866 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@](C)(C[NH3+])C1CC1 ZINC000903426876 584760968 /nfs/dbraw/zinc/76/09/68/584760968.db2.gz RJANRGABXLRGOY-SCVCMEIPSA-N 2 0 211.353 0.559 20 0 BCADRP [NH3+]C[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903422033 584763555 /nfs/dbraw/zinc/76/35/55/584763555.db2.gz UFFAKPYZXHGIFC-UTUOFQBUSA-N 3 0 211.353 0.785 20 0 BCADRP COCC[NH+]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903441337 584763900 /nfs/dbraw/zinc/76/39/00/584763900.db2.gz OAOKATXLTFSGHT-OLZOCXBDSA-N 2 0 241.379 0.106 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000903424788 584765113 /nfs/dbraw/zinc/76/51/13/584765113.db2.gz GWXOMXPUKRLIOF-RNJOBUHISA-N 2 0 225.380 0.901 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903424970 584765281 /nfs/dbraw/zinc/76/52/81/584765281.db2.gz NPJJDXGJQDOLIZ-VOAKCMCISA-N 2 0 225.380 0.901 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000903425033 584765556 /nfs/dbraw/zinc/76/55/56/584765556.db2.gz PCBAKNLYLPLKCY-WISYIIOYSA-N 2 0 211.353 0.511 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000903459559 584765863 /nfs/dbraw/zinc/76/58/63/584765863.db2.gz LANNKSFZDSRQQZ-VXGBXAGGSA-N 2 0 209.337 0.566 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)C1 ZINC000903464061 584767278 /nfs/dbraw/zinc/76/72/78/584767278.db2.gz YDQWCTZIJWQTTM-YNEHKIRRSA-N 2 0 249.362 0.727 20 0 BCADRP N[C@@H]1C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)CC[C@H]1F ZINC000903464247 584767635 /nfs/dbraw/zinc/76/76/35/584767635.db2.gz FCWHRSYWHBIFPV-LNFKQOIKSA-N 2 0 215.316 0.485 20 0 BCADRP C[N@@H+](Cc1cn[nH]c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903444275 584769182 /nfs/dbraw/zinc/76/91/82/584769182.db2.gz RLLZWZVSESEZKP-KOLCDFICSA-N 2 0 208.309 0.969 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000903447326 584770823 /nfs/dbraw/zinc/77/08/23/584770823.db2.gz OKUHIPSJKSECEI-MBJXGIAVSA-N 3 0 237.391 0.901 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000903447325 584770849 /nfs/dbraw/zinc/77/08/49/584770849.db2.gz OKUHIPSJKSECEI-IKOXMDCHSA-N 3 0 237.391 0.901 20 0 BCADRP FC(F)[C@H]1C[NH2+]CCN1C[C@H]1CCC[NH2+]1 ZINC000903451860 584771783 /nfs/dbraw/zinc/77/17/83/584771783.db2.gz FDPJBFUWATXUPC-RKDXNWHRSA-N 2 0 219.279 0.277 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH2+]C[C@@H]1C(F)F ZINC000903452634 584771854 /nfs/dbraw/zinc/77/18/54/584771854.db2.gz OTHGSQKPDSTUBH-KXUCPTDWSA-N 2 0 233.306 0.381 20 0 BCADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903451634 584771980 /nfs/dbraw/zinc/77/19/80/584771980.db2.gz CBBLSNWWNVXLKF-WOPDTQHZSA-N 3 0 211.353 0.785 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000903452339 584772272 /nfs/dbraw/zinc/77/22/72/584772272.db2.gz LEFFVKOBVBAOMV-WUHRBBMRSA-N 3 0 223.364 0.798 20 0 BCADRP Cn1ccnc1[C@H]1C[NH2+]CCN1C[C@H]1CCC[NH2+]1 ZINC000903453090 584772502 /nfs/dbraw/zinc/77/25/02/584772502.db2.gz YXXACOMEHSWFJX-VXGBXAGGSA-N 2 0 249.362 0.118 20 0 BCADRP [NH3+][C@@H]1CC[C@H](CN2CC[NH2+]C[C@H]2C(F)F)C1 ZINC000903452856 584772593 /nfs/dbraw/zinc/77/25/93/584772593.db2.gz SXCPPNCQMGJUNA-AEJSXWLSSA-N 2 0 233.306 0.653 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)CN1 ZINC000903453818 584772946 /nfs/dbraw/zinc/77/29/46/584772946.db2.gz MTJAMZPHRVXCGR-KKOKHZNYSA-N 2 0 211.353 0.796 20 0 BCADRP COC(=O)C[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903455340 584773832 /nfs/dbraw/zinc/77/38/32/584773832.db2.gz UPUZDBHZFNKGAI-GRYCIOLGSA-N 2 0 240.347 0.869 20 0 BCADRP COC[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000903456691 584774234 /nfs/dbraw/zinc/77/42/34/584774234.db2.gz IXWFPKSULUJNRC-RNJOBUHISA-N 2 0 242.363 0.850 20 0 BCADRP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903471291 584775375 /nfs/dbraw/zinc/77/53/75/584775375.db2.gz IECDIQYWNHQILO-NWDGAFQWSA-N 3 0 223.364 0.860 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000903472952 584776305 /nfs/dbraw/zinc/77/63/05/584776305.db2.gz XRWLLRGULDMLCR-TUAOUCFPSA-N 3 0 223.364 0.988 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000903475735 584776754 /nfs/dbraw/zinc/77/67/54/584776754.db2.gz BSRJCSYURJSEIR-YIYPIFLZSA-N 2 0 237.391 0.916 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000903475985 584776941 /nfs/dbraw/zinc/77/69/41/584776941.db2.gz JREZFYUGUAOMMQ-IJLUTSLNSA-N 2 0 209.337 0.565 20 0 BCADRP CO[C@H]1COCC[C@H]1[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903481497 584777924 /nfs/dbraw/zinc/77/79/24/584777924.db2.gz DQMRJQVQIWUCKE-XQHKEYJVSA-N 2 0 242.363 0.850 20 0 BCADRP CO[C@H]1COCC[C@H]1[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903481809 584778183 /nfs/dbraw/zinc/77/81/83/584778183.db2.gz NKMGCWZDCUAFJH-XQHKEYJVSA-N 2 0 242.363 0.578 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000903478281 584778201 /nfs/dbraw/zinc/77/82/01/584778201.db2.gz HTVTUWKNKBQEHE-MROQNXINSA-N 2 0 223.364 0.383 20 0 BCADRP [NH3+]CCOCCN[C@H]1CC[NH2+]C12CCCC2 ZINC000903483485 584779383 /nfs/dbraw/zinc/77/93/83/584779383.db2.gz HTOHOMOTISPLDW-NSHDSACASA-N 2 0 227.352 0.226 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000629569852 584781439 /nfs/dbraw/zinc/78/14/39/584781439.db2.gz GDVTWLADJKPKBC-CYBMUJFWSA-N 3 0 243.395 0.544 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000629569853 584781519 /nfs/dbraw/zinc/78/15/19/584781519.db2.gz GDVTWLADJKPKBC-ZDUSSCGKSA-N 3 0 243.395 0.544 20 0 BCADRP [NH3+]CCCN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903541416 584781847 /nfs/dbraw/zinc/78/18/47/584781847.db2.gz VRWNOOJDXNOWNY-SFYZADRCSA-N 2 0 225.258 0.547 20 0 BCADRP C[C@@]1([C@H]2CCC[N@H+](CCC[NH3+])C2)COC(=O)N1 ZINC000903560813 584782400 /nfs/dbraw/zinc/78/24/00/584782400.db2.gz AUUFECPIKWUKEC-JQWIXIFHSA-N 2 0 241.335 0.546 20 0 BCADRP C[C@H](CN1CCOCC1)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903558125 584782957 /nfs/dbraw/zinc/78/29/57/584782957.db2.gz VPHJNJHPSBBCFX-VXGBXAGGSA-N 2 0 241.379 0.376 20 0 BCADRP CN1CCC[C@H](N2C[C@@H]([NH3+])C(C)(C)C2)C1=O ZINC000903557833 584783020 /nfs/dbraw/zinc/78/30/20/584783020.db2.gz RYNJQPIQIJIPBX-VHSXEESVSA-N 2 0 225.336 0.276 20 0 BCADRP CC1(C)CN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1[NH3+] ZINC000903557318 584783308 /nfs/dbraw/zinc/78/33/08/584783308.db2.gz NORLXDQPGZVJNM-GHMZBOCLSA-N 3 0 239.363 0.177 20 0 BCADRP CN(C[C@@H]1CCCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000903716783 584791753 /nfs/dbraw/zinc/79/17/53/584791753.db2.gz SAHLSESGEYQWGU-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@](C[NH3+])([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)C1CC1 ZINC000903716997 584792097 /nfs/dbraw/zinc/79/20/97/584792097.db2.gz GFDQACXZGWYVAS-LPTSXCQYSA-N 2 0 240.347 0.507 20 0 BCADRP C[N@H+](CCC[NH3+])C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718085 584792148 /nfs/dbraw/zinc/79/21/48/584792148.db2.gz ZJSMRKMVKGXEHU-NWDGAFQWSA-N 3 0 227.352 0.036 20 0 BCADRP C[C@H](C[NH3+])N(C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717042 584792363 /nfs/dbraw/zinc/79/23/63/584792363.db2.gz XSFJRORIOWECCT-WOPDTQHZSA-N 2 0 227.352 0.034 20 0 BCADRP C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1CCOC1 ZINC000903729720 584792916 /nfs/dbraw/zinc/79/29/16/584792916.db2.gz RHFQPHXWUQSNFW-AVGNSLFASA-N 2 0 240.347 0.476 20 0 BCADRP COC[C@](C)(CCO)[NH2+]C[C@H]1CCCC[NH2+]C1 ZINC000903732804 584793080 /nfs/dbraw/zinc/79/30/80/584793080.db2.gz HZNKKCFEJAIXHX-STQMWFEESA-N 2 0 244.379 0.753 20 0 BCADRP [NH3+][C@H]1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903712857 584793475 /nfs/dbraw/zinc/79/34/75/584793475.db2.gz AIUNUQYWHIUKBO-NWDGAFQWSA-N 2 0 239.363 0.178 20 0 BCADRP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CCC[NH2+]CC1 ZINC000903713211 584793641 /nfs/dbraw/zinc/79/36/41/584793641.db2.gz IMXNPPGGQFQLOX-QWHCGFSZSA-N 2 0 239.363 0.050 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCC([NH3+])CC1 ZINC000903713014 584793731 /nfs/dbraw/zinc/79/37/31/584793731.db2.gz DEVGZCWVCFHLSB-GXSJLCMTSA-N 2 0 226.320 0.609 20 0 BCADRP [NH3+][C@@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903713483 584793850 /nfs/dbraw/zinc/79/38/50/584793850.db2.gz SDJSUSPVUNOLHN-NWDGAFQWSA-N 2 0 211.353 0.799 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903715799 584793991 /nfs/dbraw/zinc/79/39/91/584793991.db2.gz ADUBNXSEPSDBBN-OLZOCXBDSA-N 2 0 225.380 0.917 20 0 BCADRP C[C@H]1CN(C[C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000903715989 584794073 /nfs/dbraw/zinc/79/40/73/584794073.db2.gz DSMHQPIXCQJTIA-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC[C@@H](O)C[NH+]1CCCC1 ZINC000903752408 584795533 /nfs/dbraw/zinc/79/55/33/584795533.db2.gz NSEDUXUGDNMSKG-VXGBXAGGSA-N 2 0 243.395 0.406 20 0 BCADRP C[C@H]1CN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC[NH2+]1 ZINC000903751697 584795779 /nfs/dbraw/zinc/79/57/79/584795779.db2.gz LWYMPBCYEKCPEQ-RWMBFGLXSA-N 2 0 239.363 0.049 20 0 BCADRP [NH3+]C1(C[NH2+]C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCC1 ZINC000903743350 584796560 /nfs/dbraw/zinc/79/65/60/584796560.db2.gz IXKCMRCTZKPMCE-RYUDHWBXSA-N 3 0 239.363 0.226 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000903763213 584797059 /nfs/dbraw/zinc/79/70/59/584797059.db2.gz INCXSWXBEPAWSJ-NZEXEKPDSA-N 2 0 240.347 0.650 20 0 BCADRP O[C@@H]1CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903763004 584797203 /nfs/dbraw/zinc/79/72/03/584797203.db2.gz GORKFAZZJOEQJS-JHJVBQTASA-N 2 0 240.347 0.212 20 0 BCADRP C[NH2+]CCCN(C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903760374 584797230 /nfs/dbraw/zinc/79/72/30/584797230.db2.gz GNDFRFKVLKKMJF-QWHCGFSZSA-N 2 0 241.379 0.296 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CCCC[NH2+]C1 ZINC000903770085 584798137 /nfs/dbraw/zinc/79/81/37/584798137.db2.gz SKOZXAOBXOREFY-GFCCVEGCSA-N 3 0 229.368 0.283 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903769586 584798187 /nfs/dbraw/zinc/79/81/87/584798187.db2.gz JWNAHRXMSWZQNE-CYBMUJFWSA-N 3 0 243.395 0.544 20 0 BCADRP c1ncn([C@H]2CC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)n1 ZINC000903755422 584798485 /nfs/dbraw/zinc/79/84/85/584798485.db2.gz GYRVHRMEWKGYSM-OLZOCXBDSA-N 2 0 249.362 0.915 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cnn(CCF)c2)C[C@H]1C[NH3+] ZINC000903775025 584798882 /nfs/dbraw/zinc/79/88/82/584798882.db2.gz FJYLYFJRUHMCJI-ZYHUDNBSSA-N 2 0 240.326 0.879 20 0 BCADRP C[C@H]([NH3+])CN(C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903774922 584799000 /nfs/dbraw/zinc/79/90/00/584799000.db2.gz CECRWCRRDDOCIC-RYUDHWBXSA-N 2 0 241.379 0.424 20 0 BCADRP [NH3+]CCN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792672 584799137 /nfs/dbraw/zinc/79/91/37/584799137.db2.gz FOAPMQPAJUZRLX-UHFFFAOYSA-N 3 0 233.359 0.938 20 0 BCADRP [NH3+][C@@]1(CO)CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903786099 584800149 /nfs/dbraw/zinc/80/01/49/584800149.db2.gz DJTJXDTZNWDBCX-OLZOCXBDSA-N 2 0 241.379 0.162 20 0 BCADRP [NH3+][C@@]1(CO)CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903786101 584800159 /nfs/dbraw/zinc/80/01/59/584800159.db2.gz DJTJXDTZNWDBCX-STQMWFEESA-N 2 0 241.379 0.162 20 0 BCADRP [NH3+]C[C@@]12CC[C@@H]1CCCN2C[C@H]1CCC[NH2+]1 ZINC000903806658 584802524 /nfs/dbraw/zinc/80/25/24/584802524.db2.gz ZOGPNMCRBDTHPH-XQQFMLRXSA-N 2 0 223.364 0.942 20 0 BCADRP CC[N@H+](CCC(=O)NC)C[C@@H]1CCCC[NH2+]C1 ZINC000903826924 584804957 /nfs/dbraw/zinc/80/49/57/584804957.db2.gz ODMSIGRBBOTECZ-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP C[C@H]1CCOCC[N@@H+]1CCOCC[NH3+] ZINC000903831924 584806044 /nfs/dbraw/zinc/80/60/44/584806044.db2.gz OHTYAQGZGBSDPE-JTQLQIEISA-N 2 0 202.298 0.073 20 0 BCADRP C[C@H]1CCOCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903833448 584806189 /nfs/dbraw/zinc/80/61/89/584806189.db2.gz WVOAHQBNXYJEFB-NWDGAFQWSA-N 2 0 240.347 0.618 20 0 BCADRP COCC[C@@H]1C[NH2+]CCN1C[C@H]1CCC[NH2+]1 ZINC000903838612 584806779 /nfs/dbraw/zinc/80/67/79/584806779.db2.gz DPHHXAVLBSKSAB-VXGBXAGGSA-N 2 0 227.352 0.049 20 0 BCADRP COCC[C@H]1CNCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903838245 584806884 /nfs/dbraw/zinc/80/68/84/584806884.db2.gz AKFUOXKRLIFIHF-AGIUHOORSA-N 2 0 241.379 0.424 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C[C@@H]1C[C@H](F)C[NH2+]1)C2 ZINC000903839821 584806962 /nfs/dbraw/zinc/80/69/62/584806962.db2.gz NXGKQCTZERGESO-SVNGYHJRSA-N 2 0 227.327 0.498 20 0 BCADRP COCC[C@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903839415 584807148 /nfs/dbraw/zinc/80/71/48/584807148.db2.gz KOLICWHYKINCMQ-AGIUHOORSA-N 2 0 241.379 0.152 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](O)[C@@H](F)C2)C1 ZINC000903838836 584807295 /nfs/dbraw/zinc/80/72/95/584807295.db2.gz FXDAFMNPMABEOO-VLEAKVRGSA-N 2 0 216.300 0.519 20 0 BCADRP [NH3+]C[C@]12CC[C@H]1CCN2C[C@@H]1CC[NH2+]C1 ZINC000903849623 584808180 /nfs/dbraw/zinc/80/81/80/584808180.db2.gz FKRSICZGZZERTK-GRYCIOLGSA-N 2 0 209.337 0.409 20 0 BCADRP CC(C)NC(=O)CN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856075 584808957 /nfs/dbraw/zinc/80/89/57/584808957.db2.gz QFMFCMBBMSARMP-ZYHUDNBSSA-N 2 0 225.336 0.324 20 0 BCADRP NC[C@]12CC[C@H]1CC[N@@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903861215 584812042 /nfs/dbraw/zinc/81/20/42/584812042.db2.gz WFONAOPRHVIMDU-MROQNXINSA-N 2 0 223.364 0.927 20 0 BCADRP C[C@]12CSC[C@H]1C[N@@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000903870425 584814447 /nfs/dbraw/zinc/81/44/47/584814447.db2.gz GXCOHBNKXOCIKB-DGORSVRFSA-N 2 0 242.388 0.522 20 0 BCADRP C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)CC[C@H]1[NH3+] ZINC000903873071 584815066 /nfs/dbraw/zinc/81/50/66/584815066.db2.gz FGVYDKQQJFNHMS-IWSPIJDZSA-N 2 0 221.295 0.638 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903873088 584815186 /nfs/dbraw/zinc/81/51/86/584815186.db2.gz FMKAZRKQFCMXSE-DTWKUNHWSA-N 2 0 221.295 0.640 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000903871527 584815302 /nfs/dbraw/zinc/81/53/02/584815302.db2.gz RAXGCSVZSKVUAZ-GRYCIOLGSA-N 2 0 244.404 0.642 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(C[C@H]([NH3+])CC(F)F)CCO1 ZINC000903873910 584815755 /nfs/dbraw/zinc/81/57/55/584815755.db2.gz NZGOUFFRTZORFF-DJLDLDEBSA-N 2 0 237.294 0.017 20 0 BCADRP C[C@H]1C[NH2+]CCN1C[C@@H]([NH3+])CC(F)F ZINC000903874337 584815762 /nfs/dbraw/zinc/81/57/62/584815762.db2.gz YEPLOGANJNZJIL-YUMQZZPRSA-N 2 0 207.268 0.263 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903874267 584815835 /nfs/dbraw/zinc/81/58/35/584815835.db2.gz WQRIBXWYJXNXFI-YIZRAAEISA-N 2 0 221.295 0.638 20 0 BCADRP C[NH2+]CCC[NH2+]C1(CC(N)=O)CCCCC1 ZINC000903874426 584815851 /nfs/dbraw/zinc/81/58/51/584815851.db2.gz ADRPRFJPRDXUSQ-UHFFFAOYSA-N 2 0 227.352 0.764 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903873284 584815934 /nfs/dbraw/zinc/81/59/34/584815934.db2.gz GIMZPSBMKDLOAO-NXEZZACHSA-N 2 0 235.322 0.900 20 0 BCADRP CN(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000903873732 584816169 /nfs/dbraw/zinc/81/61/69/584816169.db2.gz LURAIENMJFIKHO-WVMKXHBISA-N 2 0 223.364 0.811 20 0 BCADRP COC[C@@H]1C[NH2+]CCN1CCC1CC[NH2+]CC1 ZINC000903880439 584817129 /nfs/dbraw/zinc/81/71/29/584817129.db2.gz IICFISSGVSWBEC-ZDUSSCGKSA-N 2 0 241.379 0.296 20 0 BCADRP COC[C@H]1C[NH2+]CCN1CCC1CC[NH2+]CC1 ZINC000903880438 584817190 /nfs/dbraw/zinc/81/71/90/584817190.db2.gz IICFISSGVSWBEC-CYBMUJFWSA-N 2 0 241.379 0.296 20 0 BCADRP COC[C@H]1C[NH2+]CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000903880436 584817438 /nfs/dbraw/zinc/81/74/38/584817438.db2.gz IFTHCUPTLQUAHW-QWHCGFSZSA-N 2 0 241.379 0.296 20 0 BCADRP C[C@]1(C2CC2)COCC[N@@H+]1CCOCC[NH3+] ZINC000903883351 584818193 /nfs/dbraw/zinc/81/81/93/584818193.db2.gz WIGAMOBBMVVWLL-GFCCVEGCSA-N 2 0 228.336 0.463 20 0 BCADRP COC[C@H]1C[NH2+]CCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903883160 584818294 /nfs/dbraw/zinc/81/82/94/584818294.db2.gz UFSVCIQUUMRSQQ-CHWSQXEVSA-N 2 0 241.379 0.296 20 0 BCADRP CC[C@H]1C(=O)NCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903882574 584818427 /nfs/dbraw/zinc/81/84/27/584818427.db2.gz OFNCKWUQBYERRL-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@H](CC(F)F)CN(CCCO)C1CC1 ZINC000903893756 584818775 /nfs/dbraw/zinc/81/87/75/584818775.db2.gz ZBGWRXYGNAVVKW-MRVPVSSYSA-N 2 0 222.279 0.816 20 0 BCADRP C[C@H](O)CCN(C)C[C@H]([NH3+])CC(F)F ZINC000903897018 584819934 /nfs/dbraw/zinc/81/99/34/584819934.db2.gz XUULQEGQHJCRRV-JGVFFNPUSA-N 2 0 210.268 0.672 20 0 BCADRP C[C@]1(C[NH3+])CCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903906072 584820836 /nfs/dbraw/zinc/82/08/36/584820836.db2.gz RJJSDLAETHLHNG-PSASIEDQSA-N 2 0 221.295 0.640 20 0 BCADRP [NH3+]C[C@@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903906392 584820953 /nfs/dbraw/zinc/82/09/53/584820953.db2.gz VVSIHDCNGOABNZ-PSEXLTFBSA-N 2 0 239.363 0.177 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903906073 584821022 /nfs/dbraw/zinc/82/10/22/584821022.db2.gz RJJSDLAETHLHNG-SCZZXKLOSA-N 2 0 221.295 0.640 20 0 BCADRP CCNCC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918410 584822519 /nfs/dbraw/zinc/82/25/19/584822519.db2.gz YZIXLNKBQWCZAF-YOGCLGLASA-N 2 0 211.353 0.716 20 0 BCADRP [NH3+][C@@H](CN[C@@H]1CCC[NH2+]C1)CC(F)F ZINC000903918493 584822621 /nfs/dbraw/zinc/82/26/21/584822621.db2.gz ANEPSSGYEDILQA-HTQZYQBOSA-N 2 0 207.268 0.311 20 0 BCADRP C([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000903918409 584822845 /nfs/dbraw/zinc/82/28/45/584822845.db2.gz YVLNIQCQHSFREH-WVMKXHBISA-N 3 0 223.364 0.859 20 0 BCADRP C[C@H](C[NH3+])NCc1cccc2c1CC[NH2+]C2 ZINC000903918740 584822866 /nfs/dbraw/zinc/82/28/66/584822866.db2.gz GSLTXHJGFZSFFC-SNVBAGLBSA-N 2 0 219.332 0.769 20 0 BCADRP CC1(C[NH2+]C[C@H]([NH3+])CC(F)F)CC[NH2+]CC1 ZINC000903920593 584822947 /nfs/dbraw/zinc/82/29/47/584822947.db2.gz WHPMNEXEFDTYHG-SECBINFHSA-N 3 0 235.322 0.948 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]([NH3+])CC(F)F ZINC000903920050 584823119 /nfs/dbraw/zinc/82/31/19/584823119.db2.gz RQQANGRXHIBGOT-HRDYMLBCSA-N 2 0 221.295 0.557 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC[C@@H]([NH3+])CC(F)F ZINC000903919270 584823132 /nfs/dbraw/zinc/82/31/32/584823132.db2.gz LNORFJQCIDIWEF-JGVFFNPUSA-N 2 0 221.295 0.699 20 0 BCADRP C[C@@H](CC[NH3+])[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920974 584823160 /nfs/dbraw/zinc/82/31/60/584823160.db2.gz YYFRKAAHPQXPAO-YEJSDXFRSA-N 3 0 211.353 0.844 20 0 BCADRP [NH3+][C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)CC(F)F ZINC000903920577 584823410 /nfs/dbraw/zinc/82/34/10/584823410.db2.gz WCNQDSCVLKORSP-XHNCKOQMSA-N 2 0 221.295 0.828 20 0 BCADRP C[C@H](Cn1cccn1)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903923576 584823494 /nfs/dbraw/zinc/82/34/94/584823494.db2.gz XQLKIFGBAUEYQR-BDAKNGLRSA-N 2 0 232.278 0.844 20 0 BCADRP CC(C)([NH3+])CC[NH2+]Cc1ccc(N)nc1 ZINC000903939222 584823575 /nfs/dbraw/zinc/82/35/75/584823575.db2.gz WOIVQJOPKJBPSX-UHFFFAOYSA-N 2 0 208.309 0.881 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903922764 584823685 /nfs/dbraw/zinc/82/36/85/584823685.db2.gz DNKUZYGFKISOHF-ODWCKFRGSA-N 2 0 249.362 0.787 20 0 BCADRP C[NH2+]CCCN(C)C[C@H]([NH3+])CC(F)F ZINC000903929234 584824368 /nfs/dbraw/zinc/82/43/68/584824368.db2.gz CMAHLMTXZGLHBD-MRVPVSSYSA-N 2 0 209.284 0.510 20 0 BCADRP C[NH2+]CCCN(C)C[C@@H]([NH3+])CC(F)F ZINC000903929235 584824509 /nfs/dbraw/zinc/82/45/09/584824509.db2.gz CMAHLMTXZGLHBD-QMMMGPOBSA-N 2 0 209.284 0.510 20 0 BCADRP C[C@H](N)C[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903933934 584825204 /nfs/dbraw/zinc/82/52/04/584825204.db2.gz BKASVXWEKFYAEM-YEJSDXFRSA-N 2 0 211.353 0.796 20 0 BCADRP CN(Cc1c[nH]cn1)C[C@@H]([NH3+])CC(F)F ZINC000903933130 584825252 /nfs/dbraw/zinc/82/52/52/584825252.db2.gz YREPWHVALZCQNH-ZETCQYMHSA-N 2 0 218.251 0.824 20 0 BCADRP C[NH2+]CCOCCN(C)C[C@@H]([NH3+])CC(F)F ZINC000903935125 584825843 /nfs/dbraw/zinc/82/58/43/584825843.db2.gz NQLQDNFUQTZLPS-VIFPVBQESA-N 3 0 239.310 0.137 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903934683 584825508 /nfs/dbraw/zinc/82/55/08/584825508.db2.gz IPWQLPZAHXGCAE-OFIBSPLFSA-N 3 0 223.364 0.857 20 0 BCADRP C[C@@H]1CC[C@H](NC[C@@H]([NH3+])CC(F)F)C[NH2+]1 ZINC000903936205 584825668 /nfs/dbraw/zinc/82/56/68/584825668.db2.gz ZECKYYLBJJQYAG-VGMNWLOBSA-N 2 0 221.295 0.699 20 0 BCADRP [NH3+][C@H](CN[C@]12CCC[C@H]1[NH2+]CC2)CC(F)F ZINC000903937649 584826583 /nfs/dbraw/zinc/82/65/83/584826583.db2.gz OUDIDCBRHRBBHP-NGZCFLSTSA-N 2 0 233.306 0.843 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000903916171 584827251 /nfs/dbraw/zinc/82/72/51/584827251.db2.gz FRPRTDGTWOFYCR-OPRDCNLKSA-N 2 0 233.306 0.653 20 0 BCADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+]C1CCOCC1 ZINC000903956988 584827524 /nfs/dbraw/zinc/82/75/24/584827524.db2.gz OMRSBKJAQQCRBF-VIFPVBQESA-N 2 0 234.290 1.000 20 0 BCADRP Nc1cc[nH+]c(CNCC23CC(C2)C[NH2+]3)c1 ZINC000903953646 584831253 /nfs/dbraw/zinc/83/12/53/584831253.db2.gz IBOVQOYASRZBKO-UHFFFAOYSA-N 2 0 218.304 0.505 20 0 BCADRP C[C@@]1(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC[NH2+]C1 ZINC000903953389 584831450 /nfs/dbraw/zinc/83/14/50/584831450.db2.gz DWLFDSKMNVTPJT-QNWHQSFQSA-N 2 0 224.348 0.689 20 0 BCADRP C[C@H]1C[NH2+]C[C@@H](NCc2cc(N)cc[nH+]2)C1 ZINC000903953319 584831684 /nfs/dbraw/zinc/83/16/84/584831684.db2.gz CXOMEEKTLAHJJX-KOLCDFICSA-N 2 0 220.320 0.751 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cnn(C)c1 ZINC000903973772 584832498 /nfs/dbraw/zinc/83/24/98/584832498.db2.gz HRFCPZDSXMFTNT-ZYHUDNBSSA-N 2 0 222.336 0.755 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cc[nH]n1 ZINC000903974457 584832676 /nfs/dbraw/zinc/83/26/76/584832676.db2.gz NQDJMKUYSBKZTP-NXEZZACHSA-N 2 0 208.309 0.745 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]CC1(C[NH3+])CC1 ZINC000903978626 584833080 /nfs/dbraw/zinc/83/30/80/584833080.db2.gz IQOCFCMJTNVQRP-GHMZBOCLSA-N 3 0 211.353 0.561 20 0 BCADRP CC[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000903963864 584834149 /nfs/dbraw/zinc/83/41/49/584834149.db2.gz IANKLUDQANPRPV-MROQNXINSA-N 2 0 225.380 0.914 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000903966723 584834665 /nfs/dbraw/zinc/83/46/65/584834665.db2.gz AIGYUHVBHPRRIR-WRWGMCAJSA-N 2 0 211.353 0.701 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000903967967 584834902 /nfs/dbraw/zinc/83/49/02/584834902.db2.gz OBCDLNKJQUSMAS-LPWJVIDDSA-N 3 0 225.380 0.820 20 0 BCADRP CCOC[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968450 584835170 /nfs/dbraw/zinc/83/51/70/584835170.db2.gz WOEXNCXVASPHIF-VWYCJHECSA-N 2 0 200.326 0.857 20 0 BCADRP CC1(C)CN(C[C@H]([NH3+])CC(F)F)C[C@@H]1[NH3+] ZINC000903986090 584835476 /nfs/dbraw/zinc/83/54/76/584835476.db2.gz FNGHMPBBUZVQQK-SFYZADRCSA-N 2 0 221.295 0.638 20 0 BCADRP CC1(C)CN(C[C@@]2(C)CC[NH2+]C2)C[C@@H]1[NH3+] ZINC000903986573 584835589 /nfs/dbraw/zinc/83/55/89/584835589.db2.gz MKCBGNBFIJZODV-JQWIXIFHSA-N 2 0 211.353 0.655 20 0 BCADRP CC1(C)CN(C[C@@]2(C)CC[NH2+]C2)C[C@H]1[NH3+] ZINC000903986574 584835699 /nfs/dbraw/zinc/83/56/99/584835699.db2.gz MKCBGNBFIJZODV-PWSUYJOCSA-N 2 0 211.353 0.655 20 0 BCADRP CC1(C)CN(C[C@@H]([NH3+])CC(F)F)C[C@H]1[NH3+] ZINC000903986088 584835763 /nfs/dbraw/zinc/83/57/63/584835763.db2.gz FNGHMPBBUZVQQK-JGVFFNPUSA-N 2 0 221.295 0.638 20 0 BCADRP CC[N@H+](CCC(N)=O)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000903988177 584835822 /nfs/dbraw/zinc/83/58/22/584835822.db2.gz OPBQAPHAMOOMGU-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CC[N@H+](CCC(N)=O)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000903988172 584836072 /nfs/dbraw/zinc/83/60/72/584836072.db2.gz OPBQAPHAMOOMGU-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@]1(C[N@@H+]2CC[C@H](CO)C2)CCC[NH2+]C1 ZINC000904315878 584860374 /nfs/dbraw/zinc/86/03/74/584860374.db2.gz GAUVBINWOMSRLY-RYUDHWBXSA-N 2 0 212.337 0.690 20 0 BCADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904299746 584860428 /nfs/dbraw/zinc/86/04/28/584860428.db2.gz NHDWBIGPVBOBIE-HTYKTIJTSA-N 3 0 223.364 0.939 20 0 BCADRP C[C@H]1CN(C[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000904299427 584860526 /nfs/dbraw/zinc/86/05/26/584860526.db2.gz DDRYOXNYJPTJSW-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@]1(CN2CC[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904300019 584860865 /nfs/dbraw/zinc/86/08/65/584860865.db2.gz UKBJMZBEXMAEJW-VXGBXAGGSA-N 2 0 211.353 0.657 20 0 BCADRP C[C@H]1CN(Cc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000904299532 584860887 /nfs/dbraw/zinc/86/08/87/584860887.db2.gz GQXYUEHSALLJJT-NSHDSACASA-N 2 0 219.332 0.939 20 0 BCADRP CN(Cc1ccc(C[NH3+])cc1)[C@H]1CC[NH2+]C1 ZINC000904299750 584860888 /nfs/dbraw/zinc/86/08/88/584860888.db2.gz NJWYTLSHLJACKM-ZDUSSCGKSA-N 2 0 219.332 0.939 20 0 BCADRP CCOC(=O)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904301177 584861033 /nfs/dbraw/zinc/86/10/33/584861033.db2.gz AIVHYQPSRWLPOV-PHIMTYICSA-N 2 0 241.335 0.498 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000904300127 584861053 /nfs/dbraw/zinc/86/10/53/584861053.db2.gz WSVHBGLMZUJRMT-PHIMTYICSA-N 3 0 223.364 0.940 20 0 BCADRP CCN(CC)C(=O)C[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904300977 584861226 /nfs/dbraw/zinc/86/12/26/584861226.db2.gz DCJQJMIONZEFOM-PHIMTYICSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@]1(C[N@@H+]2CCC[C@@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904301534 584861519 /nfs/dbraw/zinc/86/15/19/584861519.db2.gz NCNOCUAILXARII-DGCLKSJQSA-N 2 0 239.363 0.573 20 0 BCADRP CC(C)(C)CC[C@@H]([NH3+])CN1CC[C@H](C(N)=O)C1 ZINC000904301292 584861600 /nfs/dbraw/zinc/86/16/00/584861600.db2.gz DCQQMVXWMIQKTC-WDEREUQCSA-N 2 0 241.379 0.947 20 0 BCADRP C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904305509 584862024 /nfs/dbraw/zinc/86/20/24/584862024.db2.gz PGLKWECPMSDVFG-AOOOYVTPSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc(C[NH3+])cc2)CCO1 ZINC000904302386 584862242 /nfs/dbraw/zinc/86/22/42/584862242.db2.gz VENAMICYLXNKHT-RISCZKNCSA-N 3 0 249.358 0.693 20 0 BCADRP C[N@@H+](CC(=O)N1CCCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904306020 584862319 /nfs/dbraw/zinc/86/23/19/584862319.db2.gz YIDVMIVMBQVKEY-PHIMTYICSA-N 2 0 225.336 0.278 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCN3C(=O)CC[C@H]3C2)C1 ZINC000904336904 584863156 /nfs/dbraw/zinc/86/31/56/584863156.db2.gz XXRCUDODJAVWSJ-AXFHLTTASA-N 2 0 223.320 0.030 20 0 BCADRP C[C@H](O)C[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904337067 584863413 /nfs/dbraw/zinc/86/34/13/584863413.db2.gz ZORYTXDWIOWKBA-WDEREUQCSA-N 2 0 200.326 0.689 20 0 BCADRP C[C@@H](O)C[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904337065 584863654 /nfs/dbraw/zinc/86/36/54/584863654.db2.gz ZORYTXDWIOWKBA-MNOVXSKESA-N 2 0 200.326 0.689 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@H+](CCCCO)C2CC2)C1 ZINC000904320284 584864159 /nfs/dbraw/zinc/86/41/59/584864159.db2.gz GJNVQNATTWCEMJ-PHIMTYICSA-N 2 0 212.337 0.961 20 0 BCADRP C[N@H+](CCN1CCCC1=O)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904320718 584864346 /nfs/dbraw/zinc/86/43/46/584864346.db2.gz NCZNUSDNHVCSHJ-PHIMTYICSA-N 2 0 225.336 0.278 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCOC[C@H]2C2CC2)C1 ZINC000904323732 584864544 /nfs/dbraw/zinc/86/45/44/584864544.db2.gz RIXWZCAPVHDTQP-WCQGTBRESA-N 2 0 210.321 0.835 20 0 BCADRP COC(=O)[C@@]1(C)CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904326902 584865610 /nfs/dbraw/zinc/86/56/10/584865610.db2.gz SSWFZNGAFMSLAR-UMNHJUIQSA-N 2 0 226.320 0.609 20 0 BCADRP COC(=O)[C@H](C)C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904330064 584865826 /nfs/dbraw/zinc/86/58/26/584865826.db2.gz XUVUATNDYLLQOY-MXWKQRLJSA-N 2 0 240.347 0.997 20 0 BCADRP CC(C)(CCS(C)(=O)=O)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904329208 584865949 /nfs/dbraw/zinc/86/59/49/584865949.db2.gz MUDBWPZONQWFEI-AOOOYVTPSA-N 2 0 248.392 0.527 20 0 BCADRP COC(=O)CC1([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CCC1 ZINC000904329712 584866087 /nfs/dbraw/zinc/86/60/87/584866087.db2.gz RLHJFHJEQVUCPW-AOOOYVTPSA-N 2 0 226.320 0.799 20 0 BCADRP COC[C@](C)(CC(=O)OC)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904333244 584866355 /nfs/dbraw/zinc/86/63/55/584866355.db2.gz VSJDRIPMFFCURO-UMNHJUIQSA-N 2 0 244.335 0.282 20 0 BCADRP [NH3+]CCN1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000904333747 584866649 /nfs/dbraw/zinc/86/66/49/584866649.db2.gz FKMTTXCKTIEGPF-UHFFFAOYSA-N 3 0 240.395 0.269 20 0 BCADRP CC(C)(C)CC[C@H]([NH3+])CN1CCO[C@@H](C[NH3+])C1 ZINC000904333227 584866826 /nfs/dbraw/zinc/86/68/26/584866826.db2.gz VIERVLVMHAYLQV-RYUDHWBXSA-N 2 0 243.395 0.800 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)CN1C ZINC000904342073 584867180 /nfs/dbraw/zinc/86/71/80/584867180.db2.gz WOJCJDMHXRTGFZ-KXNHARMFSA-N 2 0 211.353 0.748 20 0 BCADRP C[C@]1(C[N@@H+]2CC[C@H](n3cncn3)C2)CCC[NH2+]C1 ZINC000904343759 584867942 /nfs/dbraw/zinc/86/79/42/584867942.db2.gz WEHUBNAJENOFKE-STQMWFEESA-N 2 0 249.362 0.915 20 0 BCADRP CC[N@H+](CCOCCO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904346818 584868457 /nfs/dbraw/zinc/86/84/57/584868457.db2.gz ZZPZQHWJMJFMRT-ZDUSSCGKSA-N 2 0 244.379 0.707 20 0 BCADRP COCCC[N@H+](CCO)C[C@]1(C)CCC[NH2+]C1 ZINC000904346413 584868631 /nfs/dbraw/zinc/86/86/31/584868631.db2.gz UCLSQJKBRXWSHT-CYBMUJFWSA-N 2 0 244.379 0.707 20 0 BCADRP [NH3+][C@H]1C[C@@H](CN2CC[NH2+]C[C@H]2c2ccncc2)C1 ZINC000904350129 584868872 /nfs/dbraw/zinc/86/88/72/584868872.db2.gz GOMBUTNNAFFGMY-YUTCNCBUSA-N 2 0 246.358 0.765 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)C1 ZINC000904350592 584868976 /nfs/dbraw/zinc/86/89/76/584868976.db2.gz NPPPQXZFUJDMSU-ZNSHCXBVSA-N 2 0 239.319 0.154 20 0 BCADRP CCCC[C@@H](CN)[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904350109 584868984 /nfs/dbraw/zinc/86/89/84/584868984.db2.gz IETXEOWLNAQRSV-ZDUSSCGKSA-N 2 0 242.411 0.517 20 0 BCADRP CCCC[C@H](CN)[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904350108 584869147 /nfs/dbraw/zinc/86/91/47/584869147.db2.gz IETXEOWLNAQRSV-CYBMUJFWSA-N 2 0 242.411 0.517 20 0 BCADRP C[C@]1(CNC2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000904350819 584869311 /nfs/dbraw/zinc/86/93/11/584869311.db2.gz PVNQNNCYRWQJAL-LBPRGKRZSA-N 2 0 211.353 0.718 20 0 BCADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904354038 584870167 /nfs/dbraw/zinc/87/01/67/584870167.db2.gz URKZWXAWYMIFEH-JTQLQIEISA-N 3 0 207.321 0.830 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+]CCC[C@@H]2CCC[NH2+]2)C1 ZINC000904354323 584870182 /nfs/dbraw/zinc/87/01/82/584870182.db2.gz FRNJUBHOIJFCJU-GRYCIOLGSA-N 3 0 211.353 0.846 20 0 BCADRP [NH3+]Cc1ccc(C[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000904353611 584870457 /nfs/dbraw/zinc/87/04/57/584870457.db2.gz OORHGJPAXAAQKK-UHFFFAOYSA-N 3 0 248.374 0.140 20 0 BCADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904355383 584870742 /nfs/dbraw/zinc/87/07/42/584870742.db2.gz MYFNGRKCINNVAI-JTQLQIEISA-N 3 0 207.321 0.972 20 0 BCADRP C[C@]1(CNC[C@H]([NH3+])C2CC2)CCC[NH2+]C1 ZINC000904355728 584871283 /nfs/dbraw/zinc/87/12/83/584871283.db2.gz QWVHZJICDOGQCB-RYUDHWBXSA-N 2 0 211.353 0.703 20 0 BCADRP Nc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)nn1 ZINC000904355536 584871323 /nfs/dbraw/zinc/87/13/23/584871323.db2.gz TYRLHKKFTZEYKY-SNVBAGLBSA-N 2 0 235.335 0.681 20 0 BCADRP [NH3+]CCN1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000904356080 584871334 /nfs/dbraw/zinc/87/13/34/584871334.db2.gz SVGJLOOMPHHRKV-DGCLKSJQSA-N 3 0 240.395 0.269 20 0 BCADRP C[C@@H](C[NH3+])NCc1ccc(N2CC[NH2+]CC2)o1 ZINC000904355763 584871362 /nfs/dbraw/zinc/87/13/62/584871362.db2.gz RVTLOPBLDUTZGS-JTQLQIEISA-N 2 0 238.335 0.126 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+]CCCOC[C@H]2CCCO2)C1 ZINC000904360484 584871637 /nfs/dbraw/zinc/87/16/37/584871637.db2.gz LHIXYSXSKRZVOB-FRRDWIJNSA-N 2 0 242.363 0.899 20 0 BCADRP NC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000904359084 584871666 /nfs/dbraw/zinc/87/16/66/584871666.db2.gz YOIVSQMQVLIGJM-ADEWGFFLSA-N 2 0 211.353 0.831 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H](C)N1CCOCC1 ZINC000904362237 584871835 /nfs/dbraw/zinc/87/18/35/584871835.db2.gz JXGAGUPVXKWIQS-LPWJVIDDSA-N 2 0 241.379 0.423 20 0 BCADRP [NH3+]CCN1CCC([NH2+]CCC2CC2)CC1 ZINC000904362227 584871866 /nfs/dbraw/zinc/87/18/66/584871866.db2.gz JPTLVDZPGHZZAD-UHFFFAOYSA-N 2 0 211.353 0.799 20 0 BCADRP C[C@@H]([NH2+]C1CC(C[NH3+])C1)[C@H](C)N1CCOCC1 ZINC000904361931 584872097 /nfs/dbraw/zinc/87/20/97/584872097.db2.gz CLINALOAMJZTTO-IALDZJHCSA-N 2 0 241.379 0.423 20 0 BCADRP C[C@]1(CNC[C@@H]2C[NH2+]CCCO2)CCC[NH2+]C1 ZINC000904357723 584872211 /nfs/dbraw/zinc/87/22/11/584872211.db2.gz ANMRJVWTGUFTHO-STQMWFEESA-N 2 0 241.379 0.344 20 0 BCADRP [NH3+]CCN1CCC([NH2+]CCC[NH2+]C2CC2)CC1 ZINC000904358536 584872352 /nfs/dbraw/zinc/87/23/52/584872352.db2.gz OUUQNDHDGPBNBP-UHFFFAOYSA-N 3 0 240.395 0.141 20 0 BCADRP [NH3+]CCN1CCC([NH2+][C@H]2CCCOCC2)CC1 ZINC000904368305 584872619 /nfs/dbraw/zinc/87/26/19/584872619.db2.gz PZDXBNLARMPOQU-LBPRGKRZSA-N 2 0 241.379 0.568 20 0 BCADRP [NH3+]CC1CC([NH2+][C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000904367587 584872667 /nfs/dbraw/zinc/87/26/67/584872667.db2.gz FQVKNEYESJFRJV-UDNWOFFPSA-N 2 0 223.320 0.077 20 0 BCADRP COC(=O)C(C)(C)C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904367416 584872702 /nfs/dbraw/zinc/87/27/02/584872702.db2.gz ACLOIMBACBJKDX-DTORHVGOSA-N 2 0 214.309 0.513 20 0 BCADRP [NH3+]CCN1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000904367696 584872790 /nfs/dbraw/zinc/87/27/90/584872790.db2.gz GUBWWSRMHOGVJX-ZDUSSCGKSA-N 2 0 241.379 0.568 20 0 BCADRP [NH3+]CC1CC([NH2+]CCCn2ccnc2)C1 ZINC000904367521 584872833 /nfs/dbraw/zinc/87/28/33/584872833.db2.gz DMIFIYUWPWPTGD-UHFFFAOYSA-N 2 0 208.309 0.600 20 0 BCADRP COC(=O)C1(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904369423 584873159 /nfs/dbraw/zinc/87/31/59/584873159.db2.gz VUJLIAZLNXBGJE-DTORHVGOSA-N 2 0 212.293 0.267 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H](Nc3ncccn3)C2)C1 ZINC000904374546 584873728 /nfs/dbraw/zinc/87/37/28/584873728.db2.gz TWNSQOFVRYDMGC-TUAOUCFPSA-N 2 0 247.346 0.700 20 0 BCADRP [NH3+]Cc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904374198 584873835 /nfs/dbraw/zinc/87/38/35/584873835.db2.gz PAUAJJVIPSVCCR-BETUJISGSA-N 3 0 219.332 0.972 20 0 BCADRP COC1(C[N@@H+]2CCNCC[NH2+]CC2)CCCC1 ZINC000904396936 584875620 /nfs/dbraw/zinc/87/56/20/584875620.db2.gz ZABZNQHUUNOTGV-UHFFFAOYSA-N 2 0 241.379 0.440 20 0 BCADRP [NH3+]CCC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904376412 584876225 /nfs/dbraw/zinc/87/62/25/584876225.db2.gz RNFPJJXCWWWLQQ-TXEJJXNPSA-N 3 0 211.353 0.785 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC3=C(CCC(=O)N3)C2)C1 ZINC000904376781 584876397 /nfs/dbraw/zinc/87/63/97/584876397.db2.gz FLHBNXAKYOILAG-JGZJWPJOSA-N 2 0 235.331 0.594 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)C1 ZINC000904377081 584876417 /nfs/dbraw/zinc/87/64/17/584876417.db2.gz JIDFDJWXAXVZDK-YFKTTZPYSA-N 2 0 237.347 0.324 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC1CCN(CC[NH3+])CC1 ZINC000904379707 584876754 /nfs/dbraw/zinc/87/67/54/584876754.db2.gz CIYQQPNICCNYIT-QWHCGFSZSA-N 2 0 240.395 0.140 20 0 BCADRP COC[C@@]1(C)C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904380802 584876930 /nfs/dbraw/zinc/87/69/30/584876930.db2.gz GZUOPGLGIODJCV-GRYCIOLGSA-N 2 0 228.336 0.461 20 0 BCADRP C[C@]1(C[NH2+]CCOCCC[NH3+])CCC[NH2+]C1 ZINC000904381883 584877176 /nfs/dbraw/zinc/87/71/76/584877176.db2.gz WXVAWKDJPIPWSN-LBPRGKRZSA-N 3 0 229.368 0.331 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000904381789 584877395 /nfs/dbraw/zinc/87/73/95/584877395.db2.gz UTIHZWIMXZWOMN-QJPTWQEYSA-N 2 0 211.353 0.716 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC000904381815 584877548 /nfs/dbraw/zinc/87/75/48/584877548.db2.gz VFAXCMKLEDFQAF-UMNHJUIQSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)C1 ZINC000904384694 584877557 /nfs/dbraw/zinc/87/75/57/584877557.db2.gz MEBUZRGPAKAOEN-USZNOCQGSA-N 3 0 209.337 0.598 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C2CCN(CC[NH3+])CC2)[C@@H](C)O1 ZINC000904385230 584877656 /nfs/dbraw/zinc/87/76/56/584877656.db2.gz VNRSYTUEGWXCJP-WZRBSPASSA-N 2 0 241.379 0.565 20 0 BCADRP C[C@]1(CN2CCC[C@@]([NH3+])(CO)C2)CCC[NH2+]C1 ZINC000904407065 584878550 /nfs/dbraw/zinc/87/85/50/584878550.db2.gz MQEFTRUFAUNLQT-STQMWFEESA-N 2 0 241.379 0.162 20 0 BCADRP C[C@]1(C[N@@H+]2CC[C@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000904405956 584878685 /nfs/dbraw/zinc/87/86/85/584878685.db2.gz BIGIBZPWFUIRNF-RYUDHWBXSA-N 3 0 211.353 0.657 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cnc(N)cn2)CC[C@H]1C[NH3+] ZINC000904409844 584878824 /nfs/dbraw/zinc/87/88/24/584878824.db2.gz JSIHHBJGDZLGKL-ZJUUUORDSA-N 2 0 235.335 0.476 20 0 BCADRP C[C@H]1CN(CC23CC(C2)C[NH2+]3)CC[C@H]1C[NH3+] ZINC000904409574 584879113 /nfs/dbraw/zinc/87/91/13/584879113.db2.gz CMURCODZICLASV-QCXCNERSSA-N 2 0 223.364 0.655 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000904410962 584879257 /nfs/dbraw/zinc/87/92/57/584879257.db2.gz RWSVXDQUECZGPO-UPJWGTAASA-N 3 0 225.380 0.903 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@](N)(CO)C2)CC[NH2+]1 ZINC000904407323 584879284 /nfs/dbraw/zinc/87/92/84/584879284.db2.gz TXKNVNLLHJNSMO-JHJVBQTASA-N 2 0 241.379 0.160 20 0 BCADRP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000904410958 584879319 /nfs/dbraw/zinc/87/93/19/584879319.db2.gz RWSVXDQUECZGPO-FRRDWIJNSA-N 3 0 225.380 0.903 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)CC[C@@H]1C[NH3+] ZINC000904411712 584879756 /nfs/dbraw/zinc/87/97/56/584879756.db2.gz WVTPQNCETFJIEJ-LPWJVIDDSA-N 3 0 223.364 0.513 20 0 BCADRP c1cc(C[NH2+][C@@H]2CNOC2)c2c(c1)C[NH2+]CC2 ZINC000904423779 584880262 /nfs/dbraw/zinc/88/02/62/584880262.db2.gz GVSMTMCKXHMONZ-GFCCVEGCSA-N 2 0 233.315 0.325 20 0 BCADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CNOC2)cc1 ZINC000904424352 584880911 /nfs/dbraw/zinc/88/09/11/584880911.db2.gz QTZNEDMCERYJFC-LLVKDONJSA-N 2 0 207.277 0.138 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876524194 584885505 /nfs/dbraw/zinc/88/55/05/584885505.db2.gz LTEFHNYOKRGSCZ-YUMQZZPRSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876515917 584885597 /nfs/dbraw/zinc/88/55/97/584885597.db2.gz ZYWWGKBZEARKKO-RVAOTSRCSA-N 2 0 237.347 0.363 20 0 BCADRP CC1(C)[C@H](C(=O)NC2(C[NH3+])CCCC2)C[C@@H]1[NH3+] ZINC000876530343 584885827 /nfs/dbraw/zinc/88/58/27/584885827.db2.gz LZHKEIXLWOWPQW-UWVGGRQHSA-N 2 0 239.363 0.748 20 0 BCADRP CN(C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)[C@H]1CC[NH2+]C1 ZINC000876527575 584885991 /nfs/dbraw/zinc/88/59/91/584885991.db2.gz AWPJEWWCWSWBMM-LPEHRKFASA-N 2 0 225.336 0.180 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876707147 584886904 /nfs/dbraw/zinc/88/69/04/584886904.db2.gz UQTDWTOSQGISNJ-WDEREUQCSA-N 2 0 245.342 0.392 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876790846 584887229 /nfs/dbraw/zinc/88/72/29/584887229.db2.gz ZYWWGKBZEARKKO-RUULKOMLSA-N 2 0 237.347 0.363 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876830333 584887258 /nfs/dbraw/zinc/88/72/58/584887258.db2.gz GQRWKQOWRNRELD-ZNSHCXBVSA-N 2 0 239.363 0.474 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876831722 584887531 /nfs/dbraw/zinc/88/75/31/584887531.db2.gz JKLPMSPUXNWKAY-ZRUFSTJUSA-N 2 0 239.363 0.617 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000876952972 584888204 /nfs/dbraw/zinc/88/82/04/584888204.db2.gz XUFIPKRFDSCVKL-IRCOFANPSA-N 2 0 239.363 0.842 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000876952973 584888208 /nfs/dbraw/zinc/88/82/08/584888208.db2.gz XUFIPKRFDSCVKL-KKOKHZNYSA-N 2 0 239.363 0.842 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000876964052 584888314 /nfs/dbraw/zinc/88/83/14/584888314.db2.gz QKDDTCXOTAFOQZ-VHSXEESVSA-N 2 0 239.363 0.748 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000876996733 584888790 /nfs/dbraw/zinc/88/87/90/584888790.db2.gz AVDFHKWVACMCGP-CMPLNLGQSA-N 2 0 243.326 0.144 20 0 BCADRP CN(C(=O)[C@H]1C[NH2+]CC1(C)C)[C@@H](C[NH3+])C1CC1 ZINC000884338360 584950529 /nfs/dbraw/zinc/95/05/29/584950529.db2.gz FXXKBBXOTIELDT-MNOVXSKESA-N 2 0 239.363 0.428 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)C[NH+]2CCCC2)C1 ZINC000820485040 585013810 /nfs/dbraw/zinc/01/38/10/585013810.db2.gz HYJJKYZXMZKXHK-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)[NH+](C)C)[NH+]1CCCCC1 ZINC000750610202 585217882 /nfs/dbraw/zinc/21/78/82/585217882.db2.gz NBRFRCNZYKNRDR-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP C[N@@H+]1CCCN(CC[NH+]2CCCC2)CC1 ZINC000755050790 585293938 /nfs/dbraw/zinc/29/39/38/585293938.db2.gz KWAQZWJOVKQLKF-UHFFFAOYSA-N 2 0 211.353 0.720 20 0 BCADRP CCN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)NC ZINC000760847338 585399837 /nfs/dbraw/zinc/39/98/37/585399837.db2.gz ODZIQWXGQKRFDV-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CCNC1(C(N)=O)CCCC1 ZINC000767429130 585520068 /nfs/dbraw/zinc/52/00/68/585520068.db2.gz KTPKQHQEGDBCBW-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP OCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000771803379 585600556 /nfs/dbraw/zinc/60/05/56/585600556.db2.gz ZRFUQVUGZZMZRD-QWHCGFSZSA-N 2 0 242.363 0.194 20 0 BCADRP C[NH+](C)CC(C)(C)C[NH2+]C1CCN(C=O)CC1 ZINC000774096006 585650291 /nfs/dbraw/zinc/65/02/91/585650291.db2.gz GYRQXDNQUMGJLF-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H](CCO)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000779346423 585752149 /nfs/dbraw/zinc/75/21/49/585752149.db2.gz WNKLHWLSORAASX-ZDUSSCGKSA-N 2 0 243.395 0.375 20 0 BCADRP C[C@@H](CCO)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000779401727 585753224 /nfs/dbraw/zinc/75/32/24/585753224.db2.gz CJPXSXNBRBDJOS-LBPRGKRZSA-N 2 0 243.395 0.373 20 0 BCADRP C[C@H](CCO)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000779404892 585753508 /nfs/dbraw/zinc/75/35/08/585753508.db2.gz MOHLAPZTZSZWFN-OLZOCXBDSA-N 2 0 244.379 0.584 20 0 BCADRP C[C@@H](CCO)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000779404894 585753618 /nfs/dbraw/zinc/75/36/18/585753618.db2.gz MOHLAPZTZSZWFN-STQMWFEESA-N 2 0 244.379 0.584 20 0 BCADRP C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000788327758 585921935 /nfs/dbraw/zinc/92/19/35/585921935.db2.gz RNQPHYPHRGVPAM-NWDGAFQWSA-N 2 0 235.331 0.973 20 0 BCADRP C[C@@H](CNC(=S)NCC[NH+](C)C)C[NH+](C)C ZINC000793260958 586015459 /nfs/dbraw/zinc/01/54/59/586015459.db2.gz VMOJGBVBSRZNIU-JTQLQIEISA-N 2 0 246.424 0.210 20 0 BCADRP C[N@@H+]1C[C@H]2CCN(CC[NH+]3CCCC3)[C@H]2C1 ZINC000794953050 586057409 /nfs/dbraw/zinc/05/74/09/586057409.db2.gz HSKRMKASHJPYOJ-OLZOCXBDSA-N 2 0 223.364 0.718 20 0 BCADRP C[C@H](CCO)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000799726201 586194562 /nfs/dbraw/zinc/19/45/62/586194562.db2.gz MISNSMZEROAJCF-GFCCVEGCSA-N 2 0 243.395 0.373 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=S)NCCC[NH+](C)C ZINC000806590879 586415273 /nfs/dbraw/zinc/41/52/73/586415273.db2.gz JXYLPQXWBDEVLR-JTQLQIEISA-N 2 0 246.424 0.352 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(C)C1 ZINC000817890318 586831791 /nfs/dbraw/zinc/83/17/91/586831791.db2.gz RTRNBQWFCPFDKG-WOPDTQHZSA-N 2 0 211.353 0.668 20 0 BCADRP CC(C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000817906359 586837413 /nfs/dbraw/zinc/83/74/13/586837413.db2.gz YQEXRAIZUIPZJI-AXFHLTTASA-N 2 0 200.326 0.863 20 0 BCADRP C[C@@H]([NH2+][C@@H](CCO)C1CC1)[C@H]1CCC[NH2+]1 ZINC000817919705 586840432 /nfs/dbraw/zinc/84/04/32/586840432.db2.gz UIRZQRIBHWZMGN-JLLWLGSASA-N 2 0 212.337 0.878 20 0 BCADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[NH2+]C1CC1 ZINC000818474220 586893509 /nfs/dbraw/zinc/89/35/09/586893509.db2.gz VCPZZXGJLCWYSE-CLYYMRHHSA-N 2 0 237.347 0.609 20 0 BCADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[NH2+]1 ZINC000818474213 586893758 /nfs/dbraw/zinc/89/37/58/586893758.db2.gz UVLHBWZTROIPFU-HUAZRZQGSA-N 2 0 223.320 0.219 20 0 BCADRP [NH3+]Cc1cccc(C(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000818532507 586898612 /nfs/dbraw/zinc/89/86/12/586898612.db2.gz NBLSOPYVHHZBIV-LBPRGKRZSA-N 2 0 247.342 0.875 20 0 BCADRP [NH3+]Cc1cccc(C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000818541638 586899115 /nfs/dbraw/zinc/89/91/15/586899115.db2.gz DGTYHAACYJMXAB-LBPRGKRZSA-N 2 0 233.315 0.627 20 0 BCADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000818559105 586900730 /nfs/dbraw/zinc/90/07/30/586900730.db2.gz YJWZHLQKWVYKGW-OUAUKWLOSA-N 2 0 249.314 0.158 20 0 BCADRP [NH3+]Cc1cccc(C(=O)NCC2=CC[NH2+]CC2)c1 ZINC000818579953 586902599 /nfs/dbraw/zinc/90/25/99/586902599.db2.gz YASOAJUWGTZHCG-UHFFFAOYSA-N 2 0 245.326 0.795 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)c2cccc(C[NH3+])c2)C1 ZINC000818594579 586904465 /nfs/dbraw/zinc/90/44/65/586904465.db2.gz RGYKCUIBVXLTOV-CQSZACIVSA-N 2 0 247.342 0.956 20 0 BCADRP COCC[N@H+](C)CCC[NH2+]C[C@@H](O)C1CC1 ZINC000818953275 586917578 /nfs/dbraw/zinc/91/75/78/586917578.db2.gz FHSLTMRGWIERLY-GFCCVEGCSA-N 2 0 230.352 0.315 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C[NH+]1CCCC1 ZINC000822339629 587163408 /nfs/dbraw/zinc/16/34/08/587163408.db2.gz HXEKVRYROKCNHC-UHFFFAOYSA-N 2 0 241.379 0.882 20 0 BCADRP C[NH+](C)CC1(NC(=O)C[NH+]2CCCC2)CCC1 ZINC000822661878 587179746 /nfs/dbraw/zinc/17/97/46/587179746.db2.gz ZJWBWNLZENQPPA-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C[NH+]1CCCC1 ZINC000823160765 587206279 /nfs/dbraw/zinc/20/62/79/587206279.db2.gz JLLYKACJLBPUKN-NEPJUHHUSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000825558988 587325298 /nfs/dbraw/zinc/32/52/98/587325298.db2.gz WGVWWSSSXVJQON-KXNHARMFSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)[NH+](C)C ZINC000827233479 587373522 /nfs/dbraw/zinc/37/35/22/587373522.db2.gz PYUZKCOZYUDOLQ-QJPTWQEYSA-N 2 0 239.363 0.489 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1[NH2+]CC1(C)C)C(C)C ZINC000828318672 587434704 /nfs/dbraw/zinc/43/47/04/587434704.db2.gz UFKCARBPSQGPJY-LLVKDONJSA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH2+]CCNC(=O)NCCCCCC[NH3+] ZINC000831178558 587589406 /nfs/dbraw/zinc/58/94/06/587589406.db2.gz UDAWSYRJYWAWKK-UHFFFAOYSA-N 2 0 230.356 0.414 20 0 BCADRP CC(C)([NH3+])CNC(=O)NCCCCCC[NH3+] ZINC000831178713 587589464 /nfs/dbraw/zinc/58/94/64/587589464.db2.gz WTHPYBLSTIWUAO-UHFFFAOYSA-N 2 0 230.356 0.542 20 0 BCADRP [NH3+]CCCCCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000831178630 587589832 /nfs/dbraw/zinc/58/98/32/587589832.db2.gz VDLBCYQOYAEIOY-NSHDSACASA-N 2 0 242.367 0.557 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)NCCCCCC[NH3+] ZINC000831184536 587590196 /nfs/dbraw/zinc/59/01/96/587590196.db2.gz QVJRDNWXBDYQKW-JTQLQIEISA-N 2 0 230.356 0.542 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)NCCCCCC[NH3+] ZINC000831191611 587590835 /nfs/dbraw/zinc/59/08/35/587590835.db2.gz QWFMMAJREQMEDA-SECBINFHSA-N 2 0 216.329 0.152 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)NCCCCCC[NH3+] ZINC000831196940 587591338 /nfs/dbraw/zinc/59/13/38/587591338.db2.gz HCMZOSKPTUENGD-NSHDSACASA-N 2 0 244.383 0.932 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000831970284 587640308 /nfs/dbraw/zinc/64/03/08/587640308.db2.gz BPLTYITZRBQEEI-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C[NH2+]CC1CC1 ZINC000831971063 587640759 /nfs/dbraw/zinc/64/07/59/587640759.db2.gz QLBIFGLQJQDKQK-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000832223713 587651325 /nfs/dbraw/zinc/65/13/25/587651325.db2.gz SLWAYTVTOKBMGD-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@@H](CC(=O)NCC1CC[NH2+]CC1)C1CC1 ZINC000832363823 587656392 /nfs/dbraw/zinc/65/63/92/587656392.db2.gz YRXLDCSEGYTHDU-NSHDSACASA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+][C@H](CC(=O)NCC1CC[NH2+]CC1)C1CC1 ZINC000832363822 587656414 /nfs/dbraw/zinc/65/64/14/587656414.db2.gz YRXLDCSEGYTHDU-LLVKDONJSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000832591706 587668338 /nfs/dbraw/zinc/66/83/38/587668338.db2.gz IFJUUTIRAPHKAH-JOYOIKCWSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@H]([NH3+])C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000832603865 587668608 /nfs/dbraw/zinc/66/86/08/587668608.db2.gz POPDKQVFQDTEDS-QMMMGPOBSA-N 2 0 223.276 0.310 20 0 BCADRP C[NH2+]CC1CCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000832644463 587672751 /nfs/dbraw/zinc/67/27/51/587672751.db2.gz MXRCPVANDHPJOD-LBPRGKRZSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1CN(C(=O)c2cccc(C[NH3+])c2)CC[C@H]1[NH3+] ZINC000832737513 587681482 /nfs/dbraw/zinc/68/14/82/587681482.db2.gz XEPDNFDIZNGGQR-GXFFZTMASA-N 2 0 247.342 0.955 20 0 BCADRP C[C@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000832737095 587681536 /nfs/dbraw/zinc/68/15/36/587681536.db2.gz MFCSSYPTFUCWFL-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]CCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000832808967 587691295 /nfs/dbraw/zinc/69/12/95/587691295.db2.gz ZTZARNLKFKHBGF-NEPJUHHUSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000832829343 587692817 /nfs/dbraw/zinc/69/28/17/587692817.db2.gz QMOVPPXTJRDWFM-BMQDGWLCSA-N 2 0 239.363 0.855 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CCC([NH3+])CC1 ZINC000832828712 587692876 /nfs/dbraw/zinc/69/28/76/587692876.db2.gz KQARZFGZXHPJGE-HBIQZDMRSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)c1cccc(C[NH3+])c1 ZINC000834341414 587751194 /nfs/dbraw/zinc/75/11/94/587751194.db2.gz UCWFSDMXIUXSQK-VIFPVBQESA-N 2 0 221.304 0.470 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000834582553 587760013 /nfs/dbraw/zinc/76/00/13/587760013.db2.gz SDAMUXYXMVTDTL-VHSXEESVSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCCCC[NH3+] ZINC000834643166 587762667 /nfs/dbraw/zinc/76/26/67/587762667.db2.gz WHASOMRBZBBMTR-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CCCCC[NH3+])CC[NH2+]1 ZINC000834672920 587763485 /nfs/dbraw/zinc/76/34/85/587763485.db2.gz KEFSUWZXDHSSJG-MNOVXSKESA-N 2 0 227.352 0.762 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000834718861 587764688 /nfs/dbraw/zinc/76/46/88/587764688.db2.gz LHUYRGCXYPQHOA-KGYLQXTDSA-N 2 0 247.342 0.677 20 0 BCADRP [NH3+][C@@H](CC(=O)N[C@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000834791657 587767223 /nfs/dbraw/zinc/76/72/23/587767223.db2.gz QZCAQLOKKHQZAM-QWRGUYRKSA-N 2 0 237.347 0.372 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000834791298 587767267 /nfs/dbraw/zinc/76/72/67/587767267.db2.gz GRLFLYUYLRFALL-ONGXEEELSA-N 2 0 237.347 0.385 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)CCCCC[NH3+] ZINC000834820928 587767794 /nfs/dbraw/zinc/76/77/94/587767794.db2.gz GOHWZSBIFCMHMW-RKDXNWHRSA-N 2 0 201.314 0.357 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000834846068 587768604 /nfs/dbraw/zinc/76/86/04/587768604.db2.gz MRDVFXSONAYKIM-HTQZYQBOSA-N 2 0 247.289 0.098 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000834861329 587768815 /nfs/dbraw/zinc/76/88/15/587768815.db2.gz ILSSAYKFDUTDOB-DVVUODLYSA-N 2 0 225.336 0.357 20 0 BCADRP [NH3+]CCCCCCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000834869378 587768931 /nfs/dbraw/zinc/76/89/31/587768931.db2.gz SPBIHMDHYNCGDG-NEPJUHHUSA-N 2 0 239.363 0.716 20 0 BCADRP CC[N@H+](CCNC(=O)NC[C@@H](C)[NH3+])C(C)C ZINC000841777300 587974832 /nfs/dbraw/zinc/97/48/32/587974832.db2.gz YYPGHQOCJFBLCK-SNVBAGLBSA-N 2 0 230.356 0.363 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)[C@H]1C[NH3+] ZINC000841848514 587977115 /nfs/dbraw/zinc/97/71/15/587977115.db2.gz KTICAQLPINOTOD-JLLWLGSASA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[C@H]([NH3+])C1CC1 ZINC000841848586 587977168 /nfs/dbraw/zinc/97/71/68/587977168.db2.gz PSOWACDKKQRFEX-RYUDHWBXSA-N 2 0 241.379 0.946 20 0 BCADRP [NH3+][C@@H](CNC(=O)C[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000841848030 587977203 /nfs/dbraw/zinc/97/72/03/587977203.db2.gz QRLYAEBCOZGWPZ-STQMWFEESA-N 2 0 247.342 0.930 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C[C@H]([NH3+])C1CC1 ZINC000841848584 587977240 /nfs/dbraw/zinc/97/72/40/587977240.db2.gz PSOWACDKKQRFEX-NEPJUHHUSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841845691 587977269 /nfs/dbraw/zinc/97/72/69/587977269.db2.gz GDHLTXMXPXPDFP-KOLCDFICSA-N 2 0 225.336 0.385 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C[C@@H]([NH3+])C1CC1 ZINC000841848388 587977304 /nfs/dbraw/zinc/97/73/04/587977304.db2.gz HXIMMQIQDBNQFV-SNVBAGLBSA-N 2 0 227.352 0.557 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)CCCCC[NH3+] ZINC000841848736 587977655 /nfs/dbraw/zinc/97/76/55/587977655.db2.gz REWRXZUOCUEILW-NSHDSACASA-N 2 0 229.368 0.995 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000841849183 587978029 /nfs/dbraw/zinc/97/80/29/587978029.db2.gz AHQFYPIXCQPYSH-NEPJUHHUSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000841850319 587978068 /nfs/dbraw/zinc/97/80/68/587978068.db2.gz KUJSYIGFPAEQIV-NGZCFLSTSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cccc(C[NH3+])c1 ZINC000841850423 587978243 /nfs/dbraw/zinc/97/82/43/587978243.db2.gz SQNCBINXAGDNGB-WDEREUQCSA-N 2 0 247.342 0.968 20 0 BCADRP CC[NH2+]CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000841851017 587978392 /nfs/dbraw/zinc/97/83/92/587978392.db2.gz KVKFOZRRTRQQAB-QWHCGFSZSA-N 2 0 247.342 0.549 20 0 BCADRP CN(C(=O)C[C@@H]([NH3+])C1CC1)C1(C[NH3+])CCC1 ZINC000841852440 587978541 /nfs/dbraw/zinc/97/85/41/587978541.db2.gz JLODPIDLFWMZNF-SNVBAGLBSA-N 2 0 225.336 0.454 20 0 BCADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCCCNC1=O ZINC000842471859 588028811 /nfs/dbraw/zinc/02/88/11/588028811.db2.gz DJBUUVXTCRHWPN-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CNC(=O)CC[N@H+](C)CCCCCCC[NH3+] ZINC000842472328 588029355 /nfs/dbraw/zinc/02/93/55/588029355.db2.gz WOFYTZYQODBSNY-UHFFFAOYSA-N 2 0 229.368 0.964 20 0 BCADRP C[C@@H]1CCN(C(=O)CCCCC[NH3+])C[C@@H]1C[NH3+] ZINC000842508914 588031588 /nfs/dbraw/zinc/03/15/88/588031588.db2.gz FPGUFHPZCCCPFE-NEPJUHHUSA-N 2 0 241.379 0.949 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842512655 588032151 /nfs/dbraw/zinc/03/21/51/588032151.db2.gz LKKQMXMXSRAGCW-GVXVVHGQSA-N 2 0 237.347 0.339 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842514559 588032255 /nfs/dbraw/zinc/03/22/55/588032255.db2.gz XZJQBSGBCPBACG-MWLCHTKSSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000843125860 588081965 /nfs/dbraw/zinc/08/19/65/588081965.db2.gz JRILDDPKUQVXDB-IVZWLZJFSA-N 2 0 233.306 0.571 20 0 BCADRP [NH3+]CCCCC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843326659 588100342 /nfs/dbraw/zinc/10/03/42/588100342.db2.gz NRUMLSRNZWFYDH-UHFFFAOYSA-N 2 0 249.358 0.933 20 0 BCADRP [NH3+]CCCCCC(=O)NC1(C[NH3+])CCCC1 ZINC000843344009 588101662 /nfs/dbraw/zinc/10/16/62/588101662.db2.gz KTJFVMOLRRSWDX-UHFFFAOYSA-N 2 0 227.352 0.893 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)CCCCC[NH3+])C1CC1 ZINC000843344216 588101943 /nfs/dbraw/zinc/10/19/43/588101943.db2.gz XBLVNTWDLWTNBQ-LBPRGKRZSA-N 2 0 227.352 0.749 20 0 BCADRP CCCCOC(=O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000843377573 588105571 /nfs/dbraw/zinc/10/55/71/588105571.db2.gz CNDUWMPTMIOVEL-TXEJJXNPSA-N 2 0 240.347 0.871 20 0 BCADRP C[NH2+]CCN(C)CCCC1CC[NH2+]CC1 ZINC000843387126 588105650 /nfs/dbraw/zinc/10/56/50/588105650.db2.gz FEHXZEXXPBSDIH-UHFFFAOYSA-N 3 0 213.369 0.917 20 0 BCADRP [NH3+]CCCCCC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000843451136 588111229 /nfs/dbraw/zinc/11/12/29/588111229.db2.gz JTPXBIXTLBIMMR-LBPRGKRZSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H]1CN(C(=O)C[C@@H]2CC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000843455839 588111690 /nfs/dbraw/zinc/11/16/90/588111690.db2.gz WMIRVVQPLDWRBK-DCAQKATOSA-N 2 0 225.336 0.195 20 0 BCADRP [NH3+]C1(C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000843452890 588111827 /nfs/dbraw/zinc/11/18/27/588111827.db2.gz VABOULHPKOAZDT-UHFFFAOYSA-N 2 0 223.320 0.080 20 0 BCADRP CC1(NC(=O)CCCCC[NH3+])CC[NH2+]CC1 ZINC000843471235 588112074 /nfs/dbraw/zinc/11/20/74/588112074.db2.gz PXENSZCCPXDJHL-UHFFFAOYSA-N 2 0 227.352 0.764 20 0 BCADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843472826 588113460 /nfs/dbraw/zinc/11/34/60/588113460.db2.gz ACNKLONGEIRYBG-OWTLIXCDSA-N 2 0 249.358 0.054 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)CCCCC[NH3+])[C@H]1C ZINC000843474352 588114160 /nfs/dbraw/zinc/11/41/60/588114160.db2.gz YNJHVAZWNGKGDW-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H](C(=O)NCCCCCC[NH3+])[C@H](C)[NH3+] ZINC000843512827 588114932 /nfs/dbraw/zinc/11/49/32/588114932.db2.gz RGOUZKOXVCWJQX-ZJUUUORDSA-N 2 0 215.341 0.605 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000843501773 588116672 /nfs/dbraw/zinc/11/66/72/588116672.db2.gz PREQQLJQPLKILT-ZDUSSCGKSA-N 2 0 246.314 0.462 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)C[C@H]([NH3+])C1CC1 ZINC000843502034 588116831 /nfs/dbraw/zinc/11/68/31/588116831.db2.gz UYIPYXTUUFXGCN-VIFPVBQESA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCCCC[NH3+] ZINC000843512488 588117592 /nfs/dbraw/zinc/11/75/92/588117592.db2.gz NHCOOZKBNMYMFZ-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCCCCC[NH3+] ZINC000843512485 588117720 /nfs/dbraw/zinc/11/77/20/588117720.db2.gz NHCOOZKBNMYMFZ-GHMZBOCLSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCCCCC[NH3+] ZINC000843512823 588117970 /nfs/dbraw/zinc/11/79/70/588117970.db2.gz RGOUZKOXVCWJQX-NXEZZACHSA-N 2 0 215.341 0.605 20 0 BCADRP [NH3+][C@@H](CC(=O)NCCC[NH2+]C1CC1)C1CC1 ZINC000843513600 588118238 /nfs/dbraw/zinc/11/82/38/588118238.db2.gz JJOFNGPWIIROIJ-NSHDSACASA-N 2 0 225.336 0.372 20 0 BCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C1(F)CC1 ZINC000843788998 588140407 /nfs/dbraw/zinc/14/04/07/588140407.db2.gz QZSWRTPKHAYVRF-UHFFFAOYSA-N 2 0 245.342 0.440 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000844170810 588171465 /nfs/dbraw/zinc/17/14/65/588171465.db2.gz DHHCTTZPHOKXNB-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000844188677 588171614 /nfs/dbraw/zinc/17/16/14/588171614.db2.gz XSSSXSMPTLDNSP-ZYHUDNBSSA-N 2 0 243.326 0.146 20 0 BCADRP C[C@@H](C(=O)NCc1ccc(CC[NH3+])cc1)[NH+](C)C ZINC000844165255 588171736 /nfs/dbraw/zinc/17/17/36/588171736.db2.gz XPNOMIYLKYMYOV-NSHDSACASA-N 2 0 249.358 0.754 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000844178340 588172545 /nfs/dbraw/zinc/17/25/45/588172545.db2.gz PKSXADYSJWHLBZ-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CCN(C)C(=O)CCCC[NH+]1CCCC1 ZINC000844193356 588172944 /nfs/dbraw/zinc/17/29/44/588172944.db2.gz WNPTWOBNWIMVLR-UHFFFAOYSA-N 2 0 241.379 0.930 20 0 BCADRP CC[NH+](CC)CC(=O)NCCCCCC[NH3+] ZINC000844201031 588173335 /nfs/dbraw/zinc/17/33/35/588173335.db2.gz LBJLLNDDPABPEC-UHFFFAOYSA-N 2 0 229.368 0.964 20 0 BCADRP [NH3+]CCCCCC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000846222215 588261387 /nfs/dbraw/zinc/26/13/87/588261387.db2.gz BCSGOIBSCCPWAP-GFCCVEGCSA-N 2 0 229.368 0.555 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000846696150 588283213 /nfs/dbraw/zinc/28/32/13/588283213.db2.gz XRZISAZNBAVSGE-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+]CCC1CCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000846695086 588283495 /nfs/dbraw/zinc/28/34/95/588283495.db2.gz HZGSYDWHXZORMG-LBPRGKRZSA-N 2 0 239.363 0.701 20 0 BCADRP O=C(NCCC1CC[NH2+]CC1)[C@@]1(F)CC[NH2+]C1 ZINC000846700166 588283506 /nfs/dbraw/zinc/28/35/06/588283506.db2.gz QZSPMWYJDPCUOI-GFCCVEGCSA-N 2 0 243.326 0.194 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CCO)C1CC1 ZINC000846855323 588293275 /nfs/dbraw/zinc/29/32/75/588293275.db2.gz UQUGDBTVNRNNLC-VXGBXAGGSA-N 2 0 230.352 0.050 20 0 BCADRP CN(C(=O)CC[NH2+]C1CC1)C1CCC([NH3+])CC1 ZINC000848396934 588377462 /nfs/dbraw/zinc/37/74/62/588377462.db2.gz QXVVLLJBGRXHMX-UHFFFAOYSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848431847 588384079 /nfs/dbraw/zinc/38/40/79/588384079.db2.gz PKPHDAIEOOYUKA-FOGDFJRCSA-N 2 0 239.363 0.583 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848432202 588384166 /nfs/dbraw/zinc/38/41/66/588384166.db2.gz VHCLNEBBXOHVDM-AOOOYVTPSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000848438402 588384999 /nfs/dbraw/zinc/38/49/99/588384999.db2.gz SOEKZAFZKLRXAM-CAHLUQPWSA-N 2 0 239.241 0.133 20 0 BCADRP CON(C)C(=O)CC[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848676616 588404900 /nfs/dbraw/zinc/40/49/00/588404900.db2.gz POXOCISXGWMTPW-PHIMTYICSA-N 2 0 243.351 0.326 20 0 BCADRP CCS(=O)(=O)CC[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848676970 588405180 /nfs/dbraw/zinc/40/51/80/588405180.db2.gz XRKYDDLYINUTQK-PHIMTYICSA-N 2 0 248.392 0.351 20 0 BCADRP CC1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)OCCCO1 ZINC000848722139 588408597 /nfs/dbraw/zinc/40/85/97/588408597.db2.gz KDYRCZKJVQBTLD-QWRGUYRKSA-N 2 0 228.336 0.999 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848722355 588408696 /nfs/dbraw/zinc/40/86/96/588408696.db2.gz SLGNIPOBDFQHAK-NGZCFLSTSA-N 2 0 241.335 0.685 20 0 BCADRP C[C@@H]1CN(C(=[NH2+])NCCC[NH+](C)C)CCO1 ZINC000848980349 588423081 /nfs/dbraw/zinc/42/30/81/588423081.db2.gz CURURELPJJELQL-SNVBAGLBSA-N 2 0 228.340 0.183 20 0 BCADRP [NH2+]=C(NCC[NH+]1CCCC1)NC1CCC1 ZINC000848982504 588424064 /nfs/dbraw/zinc/42/40/64/588424064.db2.gz QERGLZFUBQZYKE-UHFFFAOYSA-N 2 0 210.325 0.749 20 0 BCADRP C[C@@H]1CN(C(=[NH2+])NCC(C)(C)[NH+](C)C)CCO1 ZINC000848981722 588424242 /nfs/dbraw/zinc/42/42/42/588424242.db2.gz ZDJPQKWGXNUYIY-SNVBAGLBSA-N 2 0 242.367 0.572 20 0 BCADRP [NH2+]=C(NCC[NH+]1CCCCC1)N1CCC1 ZINC000848983205 588424409 /nfs/dbraw/zinc/42/44/09/588424409.db2.gz ZPENXNYMINILAQ-UHFFFAOYSA-N 2 0 210.325 0.702 20 0 BCADRP CCNC(=[NH2+])NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000848983605 588424528 /nfs/dbraw/zinc/42/45/28/588424528.db2.gz VQZFYTODDGOUPI-QWRGUYRKSA-N 2 0 242.367 0.620 20 0 BCADRP CCNC(=[NH2+])NC[C@@H](CC)[NH+]1CCCC1 ZINC000848986447 588425571 /nfs/dbraw/zinc/42/55/71/588425571.db2.gz SEPJYNIDRPXQAL-SNVBAGLBSA-N 2 0 212.341 0.995 20 0 BCADRP CCNC(=[NH2+])NC[C@H](CC)[NH+]1CCCC1 ZINC000848986446 588425639 /nfs/dbraw/zinc/42/56/39/588425639.db2.gz SEPJYNIDRPXQAL-JTQLQIEISA-N 2 0 212.341 0.995 20 0 BCADRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])N2CCC2)C1 ZINC000848987616 588426049 /nfs/dbraw/zinc/42/60/49/588426049.db2.gz KZNHJQYUDNLDSV-NSHDSACASA-N 2 0 224.352 0.948 20 0 BCADRP CC(C)NC(=[NH2+])NCCC[NH+]1CCC(O)CC1 ZINC000848987855 588426185 /nfs/dbraw/zinc/42/61/85/588426185.db2.gz ISLNUQXVCXMPTR-UHFFFAOYSA-N 2 0 242.367 0.356 20 0 BCADRP COC[C@@H](C)NC(=[NH2+])NCCC[N@H+](C)C(C)C ZINC000848987688 588426251 /nfs/dbraw/zinc/42/62/51/588426251.db2.gz QRTSXHQTEKIKCY-LLVKDONJSA-N 2 0 244.383 0.866 20 0 BCADRP C[NH+](C)CCCCNC(=[NH2+])N1CCSCC1 ZINC000848989910 588426770 /nfs/dbraw/zinc/42/67/70/588426770.db2.gz KQQSNVYGBSCDTK-UHFFFAOYSA-N 2 0 244.408 0.901 20 0 BCADRP CN(C)C(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000848989263 588426845 /nfs/dbraw/zinc/42/68/45/588426845.db2.gz JSZWCRRXVRKQOF-UHFFFAOYSA-N 2 0 228.340 0.185 20 0 BCADRP COCC[N@H+](C)CCCNC(=[NH2+])NC1CCC1 ZINC000848993183 588427783 /nfs/dbraw/zinc/42/77/83/588427783.db2.gz FOBYAOBWYZUVEJ-UHFFFAOYSA-N 2 0 242.367 0.621 20 0 BCADRP CN1CCC[NH+]=C1NCCNc1cc[nH+]cc1 ZINC000848995240 588428520 /nfs/dbraw/zinc/42/85/20/588428520.db2.gz LJDPWICDVQNHSH-UHFFFAOYSA-N 2 0 233.319 0.197 20 0 BCADRP CC(C)(C)NC(=[NH2+])NCCNc1cc[nH+]cc1 ZINC000848995182 588428794 /nfs/dbraw/zinc/42/87/94/588428794.db2.gz CEFYQLONEPXPIG-UHFFFAOYSA-N 2 0 235.335 0.828 20 0 BCADRP COCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000848996399 588429199 /nfs/dbraw/zinc/42/91/99/588429199.db2.gz RQFXALJIGZOCJL-LLVKDONJSA-N 2 0 242.367 0.477 20 0 BCADRP C[C@@H](CNC(=[NH2+])N1CCC1)[N@H+](C)C1CC1 ZINC000849001569 588430803 /nfs/dbraw/zinc/43/08/03/588430803.db2.gz CCDHWYIMALNRSX-VIFPVBQESA-N 2 0 210.325 0.699 20 0 BCADRP CCCNC(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1 ZINC000849004586 588431783 /nfs/dbraw/zinc/43/17/83/588431783.db2.gz QBNPXVYTPNBLCN-SNVBAGLBSA-N 2 0 212.341 0.852 20 0 BCADRP COCCNC(=[NH2+])NCC[N@@H+]1CC[C@H](C)C1 ZINC000849004320 588431877 /nfs/dbraw/zinc/43/18/77/588431877.db2.gz MNRYEQSXIPTGOP-JTQLQIEISA-N 2 0 228.340 0.089 20 0 BCADRP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[N@H+](C)CCN1C ZINC000849008210 588433530 /nfs/dbraw/zinc/43/35/30/588433530.db2.gz YQFOVCDJYOHUEO-GHMZBOCLSA-N 2 0 241.383 0.145 20 0 BCADRP CCNC(=[NH2+])NC[C@H](CC[NH+](C)C)OCC ZINC000849012327 588435450 /nfs/dbraw/zinc/43/54/50/588435450.db2.gz YLJOIMHDHKAWCH-JTQLQIEISA-N 2 0 230.356 0.477 20 0 BCADRP CN(CCCNC(=[NH2+])NC1CC1)CC[NH+](C)C ZINC000849028123 588441609 /nfs/dbraw/zinc/44/16/09/588441609.db2.gz FOHNEMPWGBVKAL-UHFFFAOYSA-N 2 0 241.383 0.146 20 0 BCADRP CNC(=[NH2+])NCC1(SC)CC[NH+](C)CC1 ZINC000849029477 588441780 /nfs/dbraw/zinc/44/17/80/588441780.db2.gz OKNPAWWLYSKULT-UHFFFAOYSA-N 2 0 230.381 0.558 20 0 BCADRP CCNC(=[NH2+])NCC1(SC)CC[NH+](C)CC1 ZINC000849029305 588441853 /nfs/dbraw/zinc/44/18/53/588441853.db2.gz HWZAJBBQRHVOEH-UHFFFAOYSA-N 2 0 244.408 0.948 20 0 BCADRP C[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)C[NH+](C)C ZINC000849030823 588442697 /nfs/dbraw/zinc/44/26/97/588442697.db2.gz YEWQQFVSWBTXGE-WDEREUQCSA-N 2 0 242.367 0.429 20 0 BCADRP COCCNC(=[NH2+])NCc1ccc2c[nH+]cn2c1 ZINC000849040473 588447518 /nfs/dbraw/zinc/44/75/18/588447518.db2.gz WSGPMMORFUKVAO-UHFFFAOYSA-N 2 0 247.302 0.595 20 0 BCADRP CN(C)C(=[NH2+])NCC[C@H]1CCC[N@H+](C)C1 ZINC000849041297 588448064 /nfs/dbraw/zinc/44/80/64/588448064.db2.gz PKAMVRULPWKVGT-SNVBAGLBSA-N 2 0 212.341 0.804 20 0 BCADRP COCCNC(=[NH2+])NCC[C@@H]1CCC[N@H+](C)C1 ZINC000849041656 588448382 /nfs/dbraw/zinc/44/83/82/588448382.db2.gz UWMMEBGZLQSRSB-NSHDSACASA-N 2 0 242.367 0.479 20 0 BCADRP CC(C)NC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849049470 588451380 /nfs/dbraw/zinc/45/13/80/588451380.db2.gz QEFYXPJIJUHDNK-AOOOYVTPSA-N 2 0 212.341 0.849 20 0 BCADRP C[NH+](C)[C@H](CNC1=[NH+]CCCCN1)C1CC1 ZINC000849215721 588462185 /nfs/dbraw/zinc/46/21/85/588462185.db2.gz ZUXFQFGDBRUYAF-LLVKDONJSA-N 2 0 224.352 0.656 20 0 BCADRP CC(C)(C)[NH2+]CCNC1=[NH+]CCCCN1 ZINC000849215981 588462246 /nfs/dbraw/zinc/46/22/46/588462246.db2.gz NUXCFFLGMGQGHH-UHFFFAOYSA-N 2 0 212.341 0.704 20 0 BCADRP C[NH+](C)[C@@H](CNC1=[NH+]CCCCN1)C1CC1 ZINC000849215722 588462388 /nfs/dbraw/zinc/46/23/88/588462388.db2.gz ZUXFQFGDBRUYAF-NSHDSACASA-N 2 0 224.352 0.656 20 0 BCADRP O=C1CCC2=C(CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)N1 ZINC000849349749 588474499 /nfs/dbraw/zinc/47/44/99/588474499.db2.gz GOSCGJJYMUDMMU-NSHDSACASA-N 2 0 249.358 0.856 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+]CCN1CCC[C@H]1C ZINC000850440126 588546774 /nfs/dbraw/zinc/54/67/74/588546774.db2.gz WOIVUVRIMIYLCK-VXGBXAGGSA-N 2 0 237.351 0.741 20 0 BCADRP CON(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000850477443 588549203 /nfs/dbraw/zinc/54/92/03/588549203.db2.gz GPINTFVEBGCOFJ-YNEHKIRRSA-N 2 0 241.379 0.942 20 0 BCADRP CON(C)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000850478965 588549983 /nfs/dbraw/zinc/54/99/83/588549983.db2.gz IMFGUZWNVJHRHV-RYUDHWBXSA-N 2 0 227.352 0.696 20 0 BCADRP CC(C)[NH2+]CC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000851630869 588612036 /nfs/dbraw/zinc/61/20/36/588612036.db2.gz MXEOWDIGNPSFDF-UHFFFAOYSA-N 2 0 249.358 0.802 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000851634318 588612189 /nfs/dbraw/zinc/61/21/89/588612189.db2.gz CIUOKZQHDMYWHE-CYBMUJFWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@](C[NH3+])([NH2+]CCOC(F)F)C1CC1 ZINC000852740694 588698288 /nfs/dbraw/zinc/69/82/88/588698288.db2.gz JVOFBZYKJGFBLC-SECBINFHSA-N 2 0 208.252 0.943 20 0 BCADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000852743787 588698866 /nfs/dbraw/zinc/69/88/66/588698866.db2.gz KETUPGYWFIWPCB-RYUDHWBXSA-N 3 0 239.363 0.178 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCOC(F)F)C1 ZINC000852747018 588699072 /nfs/dbraw/zinc/69/90/72/588699072.db2.gz UNOWJWFYPBZYFW-YUMQZZPRSA-N 2 0 208.252 0.895 20 0 BCADRP C([C@H]1C[NH2+]CCO1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000852747891 588699701 /nfs/dbraw/zinc/69/97/01/588699701.db2.gz ASBFQOPVVPJVJM-CHWSQXEVSA-N 2 0 239.363 0.050 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852789635 588702526 /nfs/dbraw/zinc/70/25/26/588702526.db2.gz JOFKAICORFELKB-LLVKDONJSA-N 2 0 223.320 0.246 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000852793725 588703174 /nfs/dbraw/zinc/70/31/74/588703174.db2.gz FMTPDGMOLNJBJJ-CYBMUJFWSA-N 2 0 249.358 0.802 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000852794447 588703300 /nfs/dbraw/zinc/70/33/00/588703300.db2.gz PBAGJPMCBAXTHP-GHMZBOCLSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000852795706 588703509 /nfs/dbraw/zinc/70/35/09/588703509.db2.gz ZWLNQIUJKJKSHH-MXWKQRLJSA-N 2 0 225.336 0.311 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+](CC)C(C)C ZINC000852801448 588704630 /nfs/dbraw/zinc/70/46/30/588704630.db2.gz LKXODXOLLUOKAZ-LLVKDONJSA-N 2 0 229.368 0.831 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2[NH2+]CC23CCCC3)CC[NH2+]1 ZINC000852825816 588706018 /nfs/dbraw/zinc/70/60/18/588706018.db2.gz WJQLVWDEXIKEGO-WDEREUQCSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1[NH2+]CC12CCCC2 ZINC000852825689 588706051 /nfs/dbraw/zinc/70/60/51/588706051.db2.gz NSTPSTXPDVOCTE-MNOVXSKESA-N 2 0 237.347 0.387 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1[NH2+]CC12CCCC2 ZINC000852824996 588706146 /nfs/dbraw/zinc/70/61/46/588706146.db2.gz FUHHXCGNIRIYOJ-SNVBAGLBSA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852834330 588706926 /nfs/dbraw/zinc/70/69/26/588706926.db2.gz MTLGPRAXFRSKJU-LOWVWBTDSA-N 2 0 237.347 0.468 20 0 BCADRP CN(Cc1c[nH]cn1)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000852836512 588707185 /nfs/dbraw/zinc/70/71/85/588707185.db2.gz BBJMGZDWRIQWCL-SNVBAGLBSA-N 2 0 226.255 0.070 20 0 BCADRP [NH3+]CCCCCC(=O)NCC1([NH3+])CCCC1 ZINC000852851312 588708387 /nfs/dbraw/zinc/70/83/87/588708387.db2.gz CDXLJALUBSDYMJ-UHFFFAOYSA-N 2 0 227.352 0.893 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852858786 588708928 /nfs/dbraw/zinc/70/89/28/588708928.db2.gz HCHSQSAWQBMRDW-LBPRGKRZSA-N 2 0 237.347 0.364 20 0 BCADRP [NH3+]CCCCCC(=O)N1CC2CC1(C[NH3+])C2 ZINC000852859536 588708956 /nfs/dbraw/zinc/70/89/56/588708956.db2.gz WRRJVMWJRCOBLK-UHFFFAOYSA-N 2 0 225.336 0.455 20 0 BCADRP [NH3+][C@H](CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C1CC1 ZINC000852869582 588709399 /nfs/dbraw/zinc/70/93/99/588709399.db2.gz IAOJCFTZWCRPQW-OPRDCNLKSA-N 2 0 229.299 0.012 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000852870290 588709561 /nfs/dbraw/zinc/70/95/61/588709561.db2.gz RGTFAHFZMLJITG-SZEHBUNVSA-N 2 0 229.299 0.025 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)C=C1CC[NH2+]CC1 ZINC000852873711 588709802 /nfs/dbraw/zinc/70/98/02/588709802.db2.gz AJWXIHADVFAIFI-VIFPVBQESA-N 2 0 211.309 0.150 20 0 BCADRP CCC[NH2+]CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852874632 588709945 /nfs/dbraw/zinc/70/99/45/588709945.db2.gz SNDOQIOCUVIJII-UHFFFAOYSA-N 2 0 225.336 0.412 20 0 BCADRP CC1([NH3+])CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852877549 588710350 /nfs/dbraw/zinc/71/03/50/588710350.db2.gz ABUUQEYLJUFNJT-UHFFFAOYSA-N 2 0 237.347 0.636 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)C2=NO[C@H](C[NH3+])C2)cc1 ZINC000852876488 588710360 /nfs/dbraw/zinc/71/03/60/588710360.db2.gz JQJJTVNFBBISGM-JTQLQIEISA-N 2 0 248.286 0.187 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000852877672 588710391 /nfs/dbraw/zinc/71/03/91/588710391.db2.gz IZIRJSBIENIQGC-WCQYABFASA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852878127 588710398 /nfs/dbraw/zinc/71/03/98/588710398.db2.gz IOSQDNRSELKBAF-NWDGAFQWSA-N 2 0 237.347 0.682 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000852877673 588710455 /nfs/dbraw/zinc/71/04/55/588710455.db2.gz IZIRJSBIENIQGC-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)C=C2CC[NH2+]CC2)[C@H]1C ZINC000852878094 588710557 /nfs/dbraw/zinc/71/05/57/588710557.db2.gz HSZUUIMIZSXEMK-MNOVXSKESA-N 2 0 237.347 0.505 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000852878821 588710599 /nfs/dbraw/zinc/71/05/99/588710599.db2.gz PTEJYPIIQNJADK-QMMMGPOBSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C=C2CC[NH2+]CC2)CC[NH2+]1 ZINC000852878758 588710796 /nfs/dbraw/zinc/71/07/96/588710796.db2.gz OCCZUKPYGGDPFA-JQWIXIFHSA-N 2 0 237.347 0.553 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000852882109 588710959 /nfs/dbraw/zinc/71/09/59/588710959.db2.gz YFHZGGMFLZVLJX-OLZOCXBDSA-N 2 0 249.358 0.507 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852882998 588711121 /nfs/dbraw/zinc/71/11/21/588711121.db2.gz UQSJDARTDLOKJH-RYUDHWBXSA-N 2 0 237.347 0.540 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852896588 588711970 /nfs/dbraw/zinc/71/19/70/588711970.db2.gz FJGIDZMARNJJLG-JQWIXIFHSA-N 2 0 237.347 0.634 20 0 BCADRP CC(C)[NH2+]CC(=O)NCCCCCC[NH3+] ZINC000852895100 588712001 /nfs/dbraw/zinc/71/20/01/588712001.db2.gz SBADKYWHQKFYJS-UHFFFAOYSA-N 2 0 215.341 0.620 20 0 BCADRP C[C@@H](CCNC(=O)C=C1CC[NH2+]CC1)[NH+](C)C ZINC000852902222 588712455 /nfs/dbraw/zinc/71/24/55/588712455.db2.gz CNMRNCMYUOLCHT-NSHDSACASA-N 2 0 239.363 0.753 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)NCC12CC(C1)C[NH2+]2 ZINC000852916987 588713241 /nfs/dbraw/zinc/71/32/41/588713241.db2.gz FNKGVORCLMAWBH-UHFFFAOYSA-N 2 0 235.331 0.164 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)CCCCCC[NH3+] ZINC000852920723 588713480 /nfs/dbraw/zinc/71/34/80/588713480.db2.gz XZLOCGZBWBLYBA-JTQLQIEISA-N 2 0 215.341 0.620 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)CCCCC[NH3+] ZINC000852922501 588713534 /nfs/dbraw/zinc/71/35/34/588713534.db2.gz YJIGDHGYDPWPSA-VIFPVBQESA-N 2 0 201.314 0.230 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)CCCCC[NH3+] ZINC000852922500 588713695 /nfs/dbraw/zinc/71/36/95/588713695.db2.gz YJIGDHGYDPWPSA-SECBINFHSA-N 2 0 201.314 0.230 20 0 BCADRP C[C@]1(NC(=O)CCCCC[NH3+])CC[NH2+]C1 ZINC000852926911 588713831 /nfs/dbraw/zinc/71/38/31/588713831.db2.gz AZUNTFJYFWHIRQ-NSHDSACASA-N 2 0 213.325 0.374 20 0 BCADRP CC[NH+](CC)CCCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861548444 589167620 /nfs/dbraw/zinc/16/76/20/589167620.db2.gz ONFVUPSNGFGDAU-NSHDSACASA-N 2 0 244.383 0.707 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861565910 589168514 /nfs/dbraw/zinc/16/85/14/589168514.db2.gz GQVVGSJXOAYWED-WDEREUQCSA-N 2 0 244.383 0.705 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000861582478 589168918 /nfs/dbraw/zinc/16/89/18/589168918.db2.gz XDPYNZIYBGOGFP-ZJUUUORDSA-N 2 0 240.351 0.212 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861600209 589169290 /nfs/dbraw/zinc/16/92/90/589169290.db2.gz KCDGEXMQMCVTME-LLVKDONJSA-N 2 0 244.383 0.707 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000861643552 589172594 /nfs/dbraw/zinc/17/25/94/589172594.db2.gz HNTCCRQDYNIGSP-UWVGGRQHSA-N 2 0 230.356 0.493 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)NCC1([NH3+])CCCC1 ZINC000861649141 589172875 /nfs/dbraw/zinc/17/28/75/589172875.db2.gz CSFDQDKGYZRKGA-VIFPVBQESA-N 2 0 228.340 0.247 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000861653581 589173377 /nfs/dbraw/zinc/17/33/77/589173377.db2.gz CREGMUXPUPVNMP-ZJUUUORDSA-N 2 0 240.351 0.117 20 0 BCADRP CC(=O)NCCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000118966193 589224581 /nfs/dbraw/zinc/22/45/81/589224581.db2.gz VVHNGBKVOOGDDA-UHFFFAOYSA-N 2 0 241.379 0.930 20 0 BCADRP Cc1ccc(C[NH2+]CCOCCC[NH3+])cn1 ZINC000863484023 589292389 /nfs/dbraw/zinc/29/23/89/589292389.db2.gz GSKJPAKJMMZVLB-UHFFFAOYSA-N 2 0 223.320 0.845 20 0 BCADRP CCn1ncc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000863540866 589296535 /nfs/dbraw/zinc/29/65/35/589296535.db2.gz USVJZUYRLGEIAA-QJPTWQEYSA-N 2 0 249.362 0.776 20 0 BCADRP COC(=O)C1=CC[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])C1 ZINC000863541604 589297231 /nfs/dbraw/zinc/29/72/31/589297231.db2.gz KETYHMFLQYPGEL-AXFHLTTASA-N 2 0 224.304 0.718 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[NH+](C)C ZINC000863584812 589301582 /nfs/dbraw/zinc/30/15/82/589301582.db2.gz DWEWQYGYQMAUIB-RKDXNWHRSA-N 2 0 249.305 0.440 20 0 BCADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000864450224 589364402 /nfs/dbraw/zinc/36/44/02/589364402.db2.gz IFXJZXJLRONQAZ-GHMZBOCLSA-N 2 0 224.352 0.995 20 0 BCADRP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@H]1CC[N@H+](C)C1 ZINC000864451272 589364551 /nfs/dbraw/zinc/36/45/51/589364551.db2.gz HAPUIUNFMOHQRI-OPRDCNLKSA-N 2 0 210.325 0.460 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864453465 589366135 /nfs/dbraw/zinc/36/61/35/589366135.db2.gz WMVZFYZQRVTHGQ-LLVKDONJSA-N 2 0 224.352 0.852 20 0 BCADRP C[C@H](CNC(=[NH2+])N[C@@H]1C[C@H]1C)[NH+]1CCCC1 ZINC000864454309 589366198 /nfs/dbraw/zinc/36/61/98/589366198.db2.gz WKJLFLQIVSKUMW-GMTAPVOTSA-N 2 0 224.352 0.993 20 0 BCADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCCNc1cc[nH+]cc1 ZINC000864455283 589366557 /nfs/dbraw/zinc/36/65/57/589366557.db2.gz LVHHTSUBTYEWMN-MWLCHTKSSA-N 2 0 233.319 0.438 20 0 BCADRP C[C@H]1C[C@@H]1NC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000864455749 589366773 /nfs/dbraw/zinc/36/67/73/589366773.db2.gz BUFNZDZJZUFPJY-ONGXEEELSA-N 2 0 224.352 0.851 20 0 BCADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000864462281 589369786 /nfs/dbraw/zinc/36/97/86/589369786.db2.gz LBMPQLMIDSSURE-MWLCHTKSSA-N 2 0 222.336 0.771 20 0 BCADRP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000217384091 589470874 /nfs/dbraw/zinc/47/08/74/589470874.db2.gz FBQPWRPQAAEPBU-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP Cc1cc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)nc(N)[nH+]1 ZINC000866205542 589479991 /nfs/dbraw/zinc/47/99/91/589479991.db2.gz FLFPYNLMTHLZLE-WDEREUQCSA-N 2 0 247.346 0.898 20 0 BCADRP Cc1cc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)nc(N)[nH+]1 ZINC000866205540 589480048 /nfs/dbraw/zinc/48/00/48/589480048.db2.gz FLFPYNLMTHLZLE-MNOVXSKESA-N 2 0 247.346 0.898 20 0 BCADRP NC(=O)c1ccc(CC[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000866659731 589508401 /nfs/dbraw/zinc/50/84/01/589508401.db2.gz SRHQIISFNQYQRD-LBPRGKRZSA-N 2 0 247.342 0.609 20 0 BCADRP C[NH2+]CCC[N@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000866666189 589509617 /nfs/dbraw/zinc/50/96/17/589509617.db2.gz MPAXLAYHVBWWGO-UHFFFAOYSA-N 2 0 249.358 0.869 20 0 BCADRP NC(=O)Cc1cccc2c1CCN(CC[NH3+])C2 ZINC000866684783 589511660 /nfs/dbraw/zinc/51/16/60/589511660.db2.gz TYHJHTMOAZYBAG-UHFFFAOYSA-N 2 0 233.315 0.031 20 0 BCADRP CC1(C)CC[NH2+]CCN1CCOCC[NH3+] ZINC000866698879 589513043 /nfs/dbraw/zinc/51/30/43/589513043.db2.gz CGHLAEHXCLNGTJ-UHFFFAOYSA-N 2 0 215.341 0.036 20 0 BCADRP CC1(C)CC[NH2+]CCN1C[C@@H]1CC[NH2+]C1 ZINC000866699071 589513064 /nfs/dbraw/zinc/51/30/64/589513064.db2.gz HSOYGMVWDWPOLN-LLVKDONJSA-N 2 0 211.353 0.670 20 0 BCADRP O[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C[C@@H]1O ZINC000866702889 589513397 /nfs/dbraw/zinc/51/33/97/589513397.db2.gz ICKDREHIQAEXNE-OLZOCXBDSA-N 2 0 242.363 0.194 20 0 BCADRP C[NH2+]CCCN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866704134 589513530 /nfs/dbraw/zinc/51/35/30/589513530.db2.gz QNQNFXKKILPQMQ-RYUDHWBXSA-N 2 0 211.353 0.622 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C[C@@H]3CC[NH2+]C3)CC[C@H]21 ZINC000866702716 589513534 /nfs/dbraw/zinc/51/35/34/589513534.db2.gz AIOAKNGIXHYMDR-JHJVBQTASA-N 2 0 223.364 0.622 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C[C@@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000866704747 589513711 /nfs/dbraw/zinc/51/37/11/589513711.db2.gz XKZFLEQCCMCGMT-AGIUHOORSA-N 2 0 239.363 0.001 20 0 BCADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705961 589514340 /nfs/dbraw/zinc/51/43/40/589514340.db2.gz DCJLRJITVTYOOR-GXFFZTMASA-N 2 0 241.379 0.947 20 0 BCADRP C(C1CC[NH2+]CC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866720357 589515154 /nfs/dbraw/zinc/51/51/54/589515154.db2.gz JTSAHPIZOZTHPB-OLZOCXBDSA-N 2 0 223.364 0.812 20 0 BCADRP C(C1CC[NH2+]CC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866720356 589515277 /nfs/dbraw/zinc/51/52/77/589515277.db2.gz JTSAHPIZOZTHPB-CHWSQXEVSA-N 2 0 223.364 0.812 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000868000948 589543428 /nfs/dbraw/zinc/54/34/28/589543428.db2.gz JBHBFCTXMGBEPA-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)([NH3+])C(=O)Nc1cc(F)cc(C[NH3+])c1 ZINC000868069575 589547777 /nfs/dbraw/zinc/54/77/77/589547777.db2.gz PAPZPBSOFDWJFD-UHFFFAOYSA-N 2 0 225.267 0.960 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)NCC2([NH3+])CCC2)CC1 ZINC000870912293 589696470 /nfs/dbraw/zinc/69/64/70/589696470.db2.gz CGTWQVVTEVPPDC-AOOOYVTPSA-N 2 0 225.336 0.502 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000870913611 589696690 /nfs/dbraw/zinc/69/66/90/589696690.db2.gz YUBSEAGMBHVYNB-OIMNJJJWSA-N 2 0 249.358 0.326 20 0 BCADRP C[C@@H]1CN(C(=O)CC[NH2+]CC2CC2)[C@@H](C)C[NH2+]1 ZINC000870912534 589696746 /nfs/dbraw/zinc/69/67/46/589696746.db2.gz HIHZWZNYDQYLCI-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870914020 589696907 /nfs/dbraw/zinc/69/69/07/589696907.db2.gz IFVDZQTZFGXOSO-PHIMTYICSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[NH+](C)C ZINC000870921094 589697215 /nfs/dbraw/zinc/69/72/15/589697215.db2.gz LSWJDLNXASQXCD-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000870928964 589697637 /nfs/dbraw/zinc/69/76/37/589697637.db2.gz NICAIGMHNQUEJZ-KXUCPTDWSA-N 2 0 225.336 0.465 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000870928953 589697856 /nfs/dbraw/zinc/69/78/56/589697856.db2.gz NICAIGMHNQUEJZ-BBBLOLIVSA-N 2 0 225.336 0.465 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870933884 589698068 /nfs/dbraw/zinc/69/80/68/589698068.db2.gz ZOGVDGNNCGOJBZ-SQLBVSGCSA-N 2 0 223.320 0.078 20 0 BCADRP C[NH2+]CCCNC(=O)CC[NH2+]CC1CC1 ZINC000870932677 589698125 /nfs/dbraw/zinc/69/81/25/589698125.db2.gz JJUGLDVLQRXAKL-UHFFFAOYSA-N 2 0 213.325 0.102 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000870933958 589698186 /nfs/dbraw/zinc/69/81/86/589698186.db2.gz BJZUKVYWABBQGW-UTLUCORTSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870936351 589698373 /nfs/dbraw/zinc/69/83/73/589698373.db2.gz HJXTVUKMLRXBIZ-BMQDGWLCSA-N 2 0 225.336 0.324 20 0 BCADRP O=C(CCC12CC(C1)C[NH2+]2)NC[C@@H]1CCC[NH2+]1 ZINC000870934851 589698434 /nfs/dbraw/zinc/69/84/34/589698434.db2.gz GSNVQETVQGQAPD-AKJDGMEZSA-N 2 0 237.347 0.387 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000870936131 589698451 /nfs/dbraw/zinc/69/84/51/589698451.db2.gz ZWNRSRHGIIJGFD-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP O=C(CCC12CC(C1)C[NH2+]2)NCC[NH2+]C1CC1 ZINC000870936051 589698500 /nfs/dbraw/zinc/69/85/00/589698500.db2.gz YEWRZXUMLNEBIR-UHFFFAOYSA-N 2 0 237.347 0.387 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870937464 589698752 /nfs/dbraw/zinc/69/87/52/589698752.db2.gz KDFOTJPNWPKSBT-QWKFWESOSA-N 2 0 237.347 0.468 20 0 BCADRP CC(C)([NH3+])CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870936885 589698771 /nfs/dbraw/zinc/69/87/71/589698771.db2.gz FJZKDEAQDWDWRF-UHFFFAOYSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870937271 589698831 /nfs/dbraw/zinc/69/88/31/589698831.db2.gz YJCGCVNJIOIYKO-GUBZILKMSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870941357 589699608 /nfs/dbraw/zinc/69/96/08/589699608.db2.gz WBYHJFBGVAAXID-DDHJBXDOSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000870941347 589699611 /nfs/dbraw/zinc/69/96/11/589699611.db2.gz VWSBZDVZTPDMED-IJLUTSLNSA-N 2 0 239.363 0.762 20 0 BCADRP O=C(CC[NH2+]CC1CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000870941593 589699766 /nfs/dbraw/zinc/69/97/66/589699766.db2.gz ZFQDFYFTCQPYMC-GFCCVEGCSA-N 2 0 239.363 0.634 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C(F)F ZINC000870944817 589699980 /nfs/dbraw/zinc/69/99/80/589699980.db2.gz LBATZXVOWWQRJI-IWSPIJDZSA-N 2 0 249.305 0.603 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870944856 589700024 /nfs/dbraw/zinc/70/00/24/589700024.db2.gz LSEZEXRFDXXNMO-HMUNZLOLSA-N 2 0 237.347 0.357 20 0 BCADRP CC1(C)CN(C(=O)CC[NH2+]CC2CC2)CC[NH2+]1 ZINC000870944468 589700047 /nfs/dbraw/zinc/70/00/47/589700047.db2.gz BSCJLPRQZIRWJM-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000870942545 589700115 /nfs/dbraw/zinc/70/01/15/589700115.db2.gz PKDJRBZJIHCEBL-KKOKHZNYSA-N 2 0 239.363 0.761 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000870944076 589700118 /nfs/dbraw/zinc/70/01/18/589700118.db2.gz BICRTTUSFINCTC-FIQHERPVSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870946632 589700309 /nfs/dbraw/zinc/70/03/09/589700309.db2.gz JLUADRIFOONNPC-SVDPJWKOSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870946435 589700459 /nfs/dbraw/zinc/70/04/59/589700459.db2.gz HLKZHPOVMSXNCA-XSRFYTQQSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+]CCCN(C)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870947896 589700638 /nfs/dbraw/zinc/70/06/38/589700638.db2.gz LDQNDHNKNSFRNE-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]CC1(CCNC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000870949423 589700676 /nfs/dbraw/zinc/70/06/76/589700676.db2.gz FHIJRVPFXXDIDT-XYPYZODXSA-N 2 0 239.363 0.749 20 0 BCADRP C[C@@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@H](C)[NH3+] ZINC000870947395 589700832 /nfs/dbraw/zinc/70/08/32/589700832.db2.gz PDASQCSWRMQTTO-QCLAVDOMSA-N 2 0 213.325 0.356 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000870959807 589701406 /nfs/dbraw/zinc/70/14/06/589701406.db2.gz WTINURVORAWLRN-XBNNWQEZSA-N 2 0 249.358 0.454 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000870963970 589701792 /nfs/dbraw/zinc/70/17/92/589701792.db2.gz VPOWOTUNOOAVON-KLHWPWHYSA-N 2 0 237.347 0.371 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)C1 ZINC000870963535 589701910 /nfs/dbraw/zinc/70/19/10/589701910.db2.gz MXRRYFIVKVTEMD-XZUYRWCXSA-N 2 0 237.347 0.230 20 0 BCADRP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[NH+](C)C ZINC000870965223 589702126 /nfs/dbraw/zinc/70/21/26/589702126.db2.gz LLBBQCLAGSDOFF-AEJSXWLSSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965469 589702130 /nfs/dbraw/zinc/70/21/30/589702130.db2.gz RIXLKQSJGVRYCW-AXFHLTTASA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965912 589702155 /nfs/dbraw/zinc/70/21/55/589702155.db2.gz XXRKODCYGKGAHI-AOOOYVTPSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@@H]1C[C@H]([NH3+])C1 ZINC000870964463 589702191 /nfs/dbraw/zinc/70/21/91/589702191.db2.gz FMMRSASCPHBCFV-XQQFMLRXSA-N 2 0 247.342 0.410 20 0 BCADRP [NH3+][C@@H](C(=O)NC[C@@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000870965640 589702447 /nfs/dbraw/zinc/70/24/47/589702447.db2.gz UNLGEGDGYRXIQN-ADEWGFFLSA-N 2 0 233.315 0.540 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972070 589703771 /nfs/dbraw/zinc/70/37/71/589703771.db2.gz QERHELJTHHYDNP-ZPFDUUQYSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973789 589704047 /nfs/dbraw/zinc/70/40/47/589704047.db2.gz FSZDQIIKBDWYHD-MJDLHHQISA-N 2 0 239.363 0.617 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870975152 589704186 /nfs/dbraw/zinc/70/41/86/589704186.db2.gz RUSCOLBDADCLAA-MMWGEVLESA-N 2 0 225.336 0.371 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974685 589704311 /nfs/dbraw/zinc/70/43/11/589704311.db2.gz ONYPVNNQYMNPGH-JGPRNRPPSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870994187 589704576 /nfs/dbraw/zinc/70/45/76/589704576.db2.gz ORCYQCSBYXKMGS-GWCFXTLKSA-N 2 0 241.379 0.805 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870981598 589704631 /nfs/dbraw/zinc/70/46/31/589704631.db2.gz JOMIBEZKXVQGRG-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH3+])CC[C@H]21 ZINC000870981557 589704690 /nfs/dbraw/zinc/70/46/90/589704690.db2.gz JKQKFEPAPUHXPJ-GHMZBOCLSA-N 2 0 239.363 0.524 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH2+]C3CC3)CC[C@@H]21 ZINC000870982260 589705176 /nfs/dbraw/zinc/70/51/76/589705176.db2.gz MDIJDXXCWBHZIH-PWSUYJOCSA-N 2 0 237.347 0.291 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870982665 589705365 /nfs/dbraw/zinc/70/53/65/589705365.db2.gz OITBNNSUGFSMAR-WOPDTQHZSA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870983920 589705452 /nfs/dbraw/zinc/70/54/52/589705452.db2.gz CZIBHQLFONZMNQ-SCZZXKLOSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000870984450 589705509 /nfs/dbraw/zinc/70/55/09/589705509.db2.gz TWROBULVLAETET-ZYHUDNBSSA-N 2 0 239.363 0.633 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870985864 589706164 /nfs/dbraw/zinc/70/61/64/589706164.db2.gz FARGRIZKSHPVLB-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CC[NH2+]CC1 ZINC000870984464 589706237 /nfs/dbraw/zinc/70/62/37/589706237.db2.gz UPXJQQSYBFINQL-JLLWLGSASA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870991646 589708116 /nfs/dbraw/zinc/70/81/16/589708116.db2.gz FXQDZWDVTIXCES-BXKDBHETSA-N 2 0 227.352 0.557 20 0 BCADRP CN(C(=O)C[C@H]([NH3+])C1CC1)C1CC[NH+](C)CC1 ZINC000123525721 589747089 /nfs/dbraw/zinc/74/70/89/589747089.db2.gz AMTLBLZAINBJRR-LBPRGKRZSA-N 2 0 239.363 0.666 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N(C)CCOC ZINC000871603154 589773146 /nfs/dbraw/zinc/77/31/46/589773146.db2.gz HHCKDWINQFIKHZ-NSHDSACASA-N 2 0 242.367 0.573 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])N(C)CCOC ZINC000871603335 589773489 /nfs/dbraw/zinc/77/34/89/589773489.db2.gz OMGFXPCBLTVEQN-LLVKDONJSA-N 2 0 244.383 0.819 20 0 BCADRP COCCN(C)C(=[NH2+])NCCCC[NH+](C)C ZINC000871604033 589774227 /nfs/dbraw/zinc/77/42/27/589774227.db2.gz QJXKMHJVATWABG-UHFFFAOYSA-N 2 0 230.356 0.431 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000871982555 589852475 /nfs/dbraw/zinc/85/24/75/589852475.db2.gz TXRJVWUBJJFUFR-TUAOUCFPSA-N 2 0 244.379 0.438 20 0 BCADRP C[NH2+]CCCN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872153007 589884883 /nfs/dbraw/zinc/88/48/83/589884883.db2.gz XUZUGBHQCLYEPA-IUCAKERBSA-N 2 0 239.285 0.665 20 0 BCADRP CC(=O)C1CC[NH+](CCOCC[NH3+])CC1 ZINC000872146708 589885101 /nfs/dbraw/zinc/88/51/01/589885101.db2.gz VRIWURDIDGNEIB-UHFFFAOYSA-N 2 0 214.309 0.263 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000872153640 589885290 /nfs/dbraw/zinc/88/52/90/589885290.db2.gz FNRNIUVCAJDIJV-RWMBFGLXSA-N 3 0 223.364 0.527 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872255733 589901362 /nfs/dbraw/zinc/90/13/62/589901362.db2.gz DIUDDKZKJXYHGU-UTUOFQBUSA-N 2 0 239.363 0.844 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872256356 589901472 /nfs/dbraw/zinc/90/14/72/589901472.db2.gz PXVKTIQNGFJJEU-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)C1CC[NH2+]CC1 ZINC000872289711 589906388 /nfs/dbraw/zinc/90/63/88/589906388.db2.gz AFVGQSHHNSBODJ-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872287609 589906713 /nfs/dbraw/zinc/90/67/13/589906713.db2.gz BOYLCVPWNFJVRV-AXFHLTTASA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]CCC1(C)C ZINC000872297437 589907910 /nfs/dbraw/zinc/90/79/10/589907910.db2.gz PDJGMEJMTQZXRV-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000872301849 589908198 /nfs/dbraw/zinc/90/81/98/589908198.db2.gz WKXXGTIYIHKBSI-LLVKDONJSA-N 2 0 237.347 0.634 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872300799 589908302 /nfs/dbraw/zinc/90/83/02/589908302.db2.gz MKCYTRMYCIQVRG-ULHKAFAUSA-N 2 0 225.336 0.356 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872310105 589908633 /nfs/dbraw/zinc/90/86/33/589908633.db2.gz NGRBHOUEFXDWJI-GRCFGNFASA-N 2 0 249.358 0.596 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872309018 589908662 /nfs/dbraw/zinc/90/86/62/589908662.db2.gz MTKRTAAICQIVNM-IMICNGSGSA-N 2 0 223.320 0.062 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872307608 589908682 /nfs/dbraw/zinc/90/86/82/589908682.db2.gz CAPHOLPNPUPEMO-MXWKQRLJSA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CCC[C@@H](C[NH3+])C1 ZINC000873201944 589992604 /nfs/dbraw/zinc/99/26/04/589992604.db2.gz QOJKHCZJDWXLEY-NWDGAFQWSA-N 2 0 213.369 0.888 20 0 BCADRP C[N@H+](Cc1cnc(N)cn1)C1CCC([NH3+])CC1 ZINC000873202128 589992618 /nfs/dbraw/zinc/99/26/18/589992618.db2.gz ULSDUTYSQOQBDW-UHFFFAOYSA-N 2 0 235.335 0.761 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN1CCC[C@@H](C[NH3+])C1 ZINC000873201945 589992972 /nfs/dbraw/zinc/99/29/72/589992972.db2.gz QOJKHCZJDWXLEY-RYUDHWBXSA-N 2 0 213.369 0.888 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](Cc2cnc(N)cn2)CC1 ZINC000873201011 589993292 /nfs/dbraw/zinc/99/32/92/589993292.db2.gz IXUSQEACCUAEQT-VIFPVBQESA-N 2 0 235.335 0.618 20 0 BCADRP FC(F)[C@@H]1C[NH2+]CCN1CC12CC(C1)C[NH2+]2 ZINC000873210570 589993926 /nfs/dbraw/zinc/99/39/26/589993926.db2.gz KGHWJGOXOZGKRH-YUCVTWSNSA-N 2 0 231.290 0.277 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cnc(N)cn1 ZINC000873212196 589995764 /nfs/dbraw/zinc/99/57/64/589995764.db2.gz JSYIRIQXOHWYGQ-SECBINFHSA-N 2 0 223.324 0.666 20 0 BCADRP C[C@@H]1C[C@H](C)N(Cc2cnc(N)cn2)C[C@@H]1C[NH3+] ZINC000873213660 589997498 /nfs/dbraw/zinc/99/74/98/589997498.db2.gz LGGFECDYNIREGS-VWYCJHECSA-N 2 0 249.362 0.864 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(Cc3cnc(N)cn3)CC[C@@H]21 ZINC000873221605 589999448 /nfs/dbraw/zinc/99/94/48/589999448.db2.gz LQIFCXUPFLMOKK-JQWIXIFHSA-N 2 0 247.346 0.585 20 0 BCADRP C[C@H]([NH2+][C@@H]1CNC[C@H](C)C1)C1CC[NH2+]CC1 ZINC000873221020 589999573 /nfs/dbraw/zinc/99/95/73/589999573.db2.gz XEWXGMHXMPNWDI-MDZLAQPJSA-N 2 0 225.380 0.962 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(CC(C)(C)[NH3+])CC[C@H]21 ZINC000873221441 589999601 /nfs/dbraw/zinc/99/96/01/589999601.db2.gz KLVCQGFTZXUIDT-GHMZBOCLSA-N 2 0 211.353 0.750 20 0 BCADRP C[C@H]([NH2+][C@@H]1CNC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873221018 589999860 /nfs/dbraw/zinc/99/98/60/589999860.db2.gz XEWXGMHXMPNWDI-GVXVVHGQSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000873220921 590000001 /nfs/dbraw/zinc/00/00/01/590000001.db2.gz WVDSPWMJYICXOZ-SNVBAGLBSA-N 3 0 211.353 0.716 20 0 BCADRP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[NH2+]1 ZINC000873228996 590000416 /nfs/dbraw/zinc/00/04/16/590000416.db2.gz NAIURGVKBYRUCZ-XDQVBPFNSA-N 3 0 237.391 0.916 20 0 BCADRP CC(C)(C)[NH2+]CCN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873228719 590000613 /nfs/dbraw/zinc/00/06/13/590000613.db2.gz IVVGPNLIKZZITQ-WCQYABFASA-N 2 0 225.380 0.916 20 0 BCADRP C([NH2+][C@]12CCC[C@@H]1[NH2+]CC2)C1CC[NH2+]CC1 ZINC000873229789 590001943 /nfs/dbraw/zinc/00/19/43/590001943.db2.gz FZLILNFPHUWCEF-STQMWFEESA-N 3 0 223.364 0.860 20 0 BCADRP C[C@@H](NC[C@@H]1CCC(C)(C)C[NH2+]1)C1C[NH2+]C1 ZINC000873234026 590003321 /nfs/dbraw/zinc/00/33/21/590003321.db2.gz BFWGWLVFQVNBEP-PWSUYJOCSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@H](NC[C@@H]1CCC(C)(C)C[NH2+]1)C1C[NH2+]C1 ZINC000873234025 590003427 /nfs/dbraw/zinc/00/34/27/590003427.db2.gz BFWGWLVFQVNBEP-JQWIXIFHSA-N 2 0 225.380 0.962 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000873245984 590006254 /nfs/dbraw/zinc/00/62/54/590006254.db2.gz QVJGULSJBWXKCF-GHMZBOCLSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249911 590007182 /nfs/dbraw/zinc/00/71/82/590007182.db2.gz NJBFRJMLWBJZJZ-NNYUYHANSA-N 2 0 227.352 0.080 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000873248689 590007602 /nfs/dbraw/zinc/00/76/02/590007602.db2.gz DOJLAMDPNRNJCK-YFKTTZPYSA-N 3 0 211.353 0.844 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000873248667 590007668 /nfs/dbraw/zinc/00/76/68/590007668.db2.gz DDFYVJLFUDYKAL-ZBAXXZLZSA-N 2 0 239.363 0.080 20 0 BCADRP COC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCOCC1 ZINC000873250856 590008278 /nfs/dbraw/zinc/00/82/78/590008278.db2.gz RGIUMKJRDDLEIM-UHTWSYAYSA-N 2 0 242.363 0.755 20 0 BCADRP COC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCOCC1 ZINC000873250841 590008472 /nfs/dbraw/zinc/00/84/72/590008472.db2.gz RGIUMKJRDDLEIM-KGYLQXTDSA-N 2 0 242.363 0.755 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1nccn1C ZINC000873252210 590009135 /nfs/dbraw/zinc/00/91/35/590009135.db2.gz QDGQQLBMDGPWCB-BBBLOLIVSA-N 2 0 208.309 0.808 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000873255039 590010037 /nfs/dbraw/zinc/01/00/37/590010037.db2.gz DOJLAMDPNRNJCK-BJDJZHNGSA-N 3 0 211.353 0.844 20 0 BCADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254433 590010244 /nfs/dbraw/zinc/01/02/44/590010244.db2.gz TVWPPJKUYZSHDC-KQXIARHKSA-N 2 0 223.364 0.796 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccn(C)n1 ZINC000873257117 590011406 /nfs/dbraw/zinc/01/14/06/590011406.db2.gz RUTJDJAPTXAAPI-OPRDCNLKSA-N 2 0 208.309 0.808 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000873256533 590011611 /nfs/dbraw/zinc/01/16/11/590011611.db2.gz OYBZJBKTPKJQEN-BJDJZHNGSA-N 3 0 211.353 0.973 20 0 BCADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873257115 590011751 /nfs/dbraw/zinc/01/17/51/590011751.db2.gz RUNZQBYHENNYGN-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](CCCCO)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873258746 590013066 /nfs/dbraw/zinc/01/30/66/590013066.db2.gz VUKJLHKUXFNJTQ-GMTAPVOTSA-N 2 0 200.326 0.864 20 0 BCADRP [NH3+][C@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261877 590014248 /nfs/dbraw/zinc/01/42/48/590014248.db2.gz SMLUJTOCIMKKRB-FPYNETTCSA-N 3 0 223.364 0.986 20 0 BCADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1[NH3+])C1CC[NH2+]CC1 ZINC000873269256 590015718 /nfs/dbraw/zinc/01/57/18/590015718.db2.gz FFKIDKBPSUTFHG-ADEWGFFLSA-N 3 0 211.353 0.844 20 0 BCADRP C[C@@H]([NH2+][C@@H]1CNCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000873270383 590015983 /nfs/dbraw/zinc/01/59/83/590015983.db2.gz RVEKBRDWAVUCFY-DMDPSCGWSA-N 2 0 225.380 0.962 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000873282668 590019499 /nfs/dbraw/zinc/01/94/99/590019499.db2.gz KSYTYYOTCYBOOF-UWVGGRQHSA-N 2 0 215.341 0.570 20 0 BCADRP CN(C(=O)C[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000873724977 590068810 /nfs/dbraw/zinc/06/88/10/590068810.db2.gz XGKAVNURHJEPQQ-UHFFFAOYSA-N 2 0 239.363 0.635 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC000873838917 590074881 /nfs/dbraw/zinc/07/48/81/590074881.db2.gz DAZFUBCCYUMSKS-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000874310643 590102802 /nfs/dbraw/zinc/10/28/02/590102802.db2.gz KJJCCOQXWQJAAU-LBPRGKRZSA-N 2 0 239.363 0.635 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC000874299911 590103175 /nfs/dbraw/zinc/10/31/75/590103175.db2.gz DNZNWQRMPIINCH-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000874432736 590110501 /nfs/dbraw/zinc/11/05/01/590110501.db2.gz QJEHXOBDKXXSQK-AOOOYVTPSA-N 2 0 240.351 0.117 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000876502355 590203639 /nfs/dbraw/zinc/20/36/39/590203639.db2.gz ZWNNIYXWVZSTKW-IRSQKABVSA-N 2 0 237.347 0.348 20 0 BCADRP O=C(NC1CC[NH2+]CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876502968 590203660 /nfs/dbraw/zinc/20/36/60/590203660.db2.gz UQHKBAAWXDOSNX-YPMHNXCESA-N 2 0 237.347 0.387 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000876506053 590204401 /nfs/dbraw/zinc/20/44/01/590204401.db2.gz PAVVCXGDUYYWGP-QTQQSFGGSA-N 2 0 237.347 0.218 20 0 BCADRP [NH3+]CCCNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876505422 590204491 /nfs/dbraw/zinc/20/44/91/590204491.db2.gz UQQVSNGQSCWFFR-YEZKRMTDSA-N 2 0 211.309 0.007 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCC[NH2+]C ZINC000876507511 590204664 /nfs/dbraw/zinc/20/46/64/590204664.db2.gz HWNZKIINLIHAKA-UQRCUPDISA-N 2 0 225.336 0.124 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000876513112 590205796 /nfs/dbraw/zinc/20/57/96/590205796.db2.gz HTJOZJKBFHHGNU-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876515736 590206738 /nfs/dbraw/zinc/20/67/38/590206738.db2.gz WUXUTDNDVQXXHS-OUAUKWLOSA-N 2 0 243.326 0.274 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876518628 590207119 /nfs/dbraw/zinc/20/71/19/590207119.db2.gz HROZDOJKXCPMCZ-XXJOZFEBSA-N 2 0 225.336 0.396 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[NH2+]CC ZINC000876520557 590207298 /nfs/dbraw/zinc/20/72/98/590207298.db2.gz AUYODOPMCQYLBA-UQRCUPDISA-N 2 0 225.336 0.124 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000876521931 590207476 /nfs/dbraw/zinc/20/74/76/590207476.db2.gz BVXOCUHEJUAQLE-VHSXEESVSA-N 2 0 225.336 0.228 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000876522023 590207537 /nfs/dbraw/zinc/20/75/37/590207537.db2.gz FGMDWWVFUJVTAV-OPRDCNLKSA-N 2 0 225.336 0.228 20 0 BCADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)NCC[NH2+]C1CC1 ZINC000876521916 590207555 /nfs/dbraw/zinc/20/75/55/590207555.db2.gz BOAWUUKYKXAHAM-ZTYXWKCZSA-N 2 0 237.347 0.410 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876524192 590207804 /nfs/dbraw/zinc/20/78/04/590207804.db2.gz LTEFHNYOKRGSCZ-JGVFFNPUSA-N 2 0 213.325 0.213 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000876522571 590207902 /nfs/dbraw/zinc/20/79/02/590207902.db2.gz VYJVSZLSIYWDLD-RBVPNNQXSA-N 2 0 237.347 0.266 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000876528789 590209737 /nfs/dbraw/zinc/20/97/37/590209737.db2.gz ZFJBHELDEFARTD-MITNPNDFSA-N 2 0 237.347 0.218 20 0 BCADRP C[C@@H]1CN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000876530270 590210002 /nfs/dbraw/zinc/21/00/02/590210002.db2.gz PXWVKDNFVNYBGN-XLMCQVRKSA-N 2 0 237.347 0.363 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C)C1CC1 ZINC000876530415 590210018 /nfs/dbraw/zinc/21/00/18/590210018.db2.gz QDSJIYIVHKDJLQ-GBIKHYSHSA-N 2 0 239.363 0.603 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000876530369 590210046 /nfs/dbraw/zinc/21/00/46/590210046.db2.gz MTSSBXQYLCCHEJ-LMLFDSFASA-N 2 0 243.326 0.143 20 0 BCADRP C[C@@H]1CN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000876530268 590210059 /nfs/dbraw/zinc/21/00/59/590210059.db2.gz PXWVKDNFVNYBGN-RVAOTSRCSA-N 2 0 237.347 0.363 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CC[NH2+]1 ZINC000876530968 590210215 /nfs/dbraw/zinc/21/02/15/590210215.db2.gz WQUNKNQVWHAZJH-OPRDCNLKSA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876532376 590210371 /nfs/dbraw/zinc/21/03/71/590210371.db2.gz FSTDLODIFRDDTB-VGMNWLOBSA-N 2 0 249.305 0.316 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876534311 590210656 /nfs/dbraw/zinc/21/06/56/590210656.db2.gz BEWBHIGRMHRHPD-RKDXNWHRSA-N 2 0 213.325 0.167 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876533184 590210759 /nfs/dbraw/zinc/21/07/59/590210759.db2.gz PJSHMNSPOJFINI-HBNTYKKESA-N 2 0 245.342 0.424 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876538348 590211577 /nfs/dbraw/zinc/21/15/77/590211577.db2.gz HDQOTLGTESRXEE-WZRBSPASSA-N 2 0 237.347 0.468 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876540104 590212301 /nfs/dbraw/zinc/21/23/01/590212301.db2.gz FTWSXKCKRWRKTM-AXFHLTTASA-N 2 0 239.363 0.570 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)C1CC1 ZINC000876735306 590234270 /nfs/dbraw/zinc/23/42/70/590234270.db2.gz CZYYDBOKYANIHU-QWRGUYRKSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000876735524 590234292 /nfs/dbraw/zinc/23/42/92/590234292.db2.gz PCKXTTNMXPVDRL-PBWNMSGQSA-N 2 0 239.363 0.609 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876732666 590234397 /nfs/dbraw/zinc/23/43/97/590234397.db2.gz CGNIGQKYXLSANW-MXWKQRLJSA-N 2 0 243.326 0.144 20 0 BCADRP C[C@H](CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000876735523 590234682 /nfs/dbraw/zinc/23/46/82/590234682.db2.gz PCKXTTNMXPVDRL-JIVBQCDMSA-N 2 0 239.363 0.609 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C)C1CC1 ZINC000876735305 590234684 /nfs/dbraw/zinc/23/46/84/590234684.db2.gz CZYYDBOKYANIHU-MNOVXSKESA-N 2 0 239.363 0.570 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)C1CC1 ZINC000876735307 590234687 /nfs/dbraw/zinc/23/46/87/590234687.db2.gz CZYYDBOKYANIHU-WDEREUQCSA-N 2 0 239.363 0.570 20 0 BCADRP C[N@H+](CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000876737457 590235122 /nfs/dbraw/zinc/23/51/22/590235122.db2.gz QWADFSUOYIZTLG-MWLCHTKSSA-N 2 0 243.326 0.144 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000876785553 590240374 /nfs/dbraw/zinc/24/03/74/590240374.db2.gz AYQAIVHTYCCCHB-XSNSVMTNSA-N 2 0 225.336 0.109 20 0 BCADRP [NH3+][C@H](CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000876790643 590241444 /nfs/dbraw/zinc/24/14/44/590241444.db2.gz AEFNZRRNFYGYCP-BTAXROROSA-N 2 0 237.347 0.396 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876789685 590241648 /nfs/dbraw/zinc/24/16/48/590241648.db2.gz GBWGLICJEYSOJD-VHSXEESVSA-N 2 0 231.315 0.050 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000876792457 590241849 /nfs/dbraw/zinc/24/18/49/590241849.db2.gz WHGNWXDTHSKFJP-IVZWLZJFSA-N 2 0 225.336 0.213 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CC[NH2+]C ZINC000876791913 590242008 /nfs/dbraw/zinc/24/20/08/590242008.db2.gz KAYPZUBZINZRQH-WQMVXFAESA-N 2 0 225.336 0.076 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@H](C)C[NH2+]1 ZINC000876796792 590242526 /nfs/dbraw/zinc/24/25/26/590242526.db2.gz JDLLUUBAMZISJY-CHWFTXMASA-N 2 0 239.363 0.569 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000876798292 590242639 /nfs/dbraw/zinc/24/26/39/590242639.db2.gz FYDWWTPWNXOLNX-BDAKNGLRSA-N 2 0 225.336 0.357 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876806260 590244348 /nfs/dbraw/zinc/24/43/48/590244348.db2.gz MIUOTZGULWNZFF-GHMZBOCLSA-N 2 0 239.363 0.524 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876806035 590244596 /nfs/dbraw/zinc/24/45/96/590244596.db2.gz JFVSEFYHTOOPAJ-MNOVXSKESA-N 2 0 243.326 0.098 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000876808759 590244983 /nfs/dbraw/zinc/24/49/83/590244983.db2.gz AQXPFICSAVLSGQ-MNOVXSKESA-N 2 0 237.347 0.396 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000876826228 590246562 /nfs/dbraw/zinc/24/65/62/590246562.db2.gz LFZJQQBIJGSWMU-OUAUKWLOSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@]1(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000876829342 590246839 /nfs/dbraw/zinc/24/68/39/590246839.db2.gz QRFABMDUWFTKOZ-SCVCMEIPSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1C ZINC000876831001 590247287 /nfs/dbraw/zinc/24/72/87/590247287.db2.gz BYEQODHXNKXILT-WRWGMCAJSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H]1C ZINC000876831768 590247655 /nfs/dbraw/zinc/24/76/55/590247655.db2.gz JUBGRIBHRUTKGO-XGEHTFHBSA-N 2 0 247.289 0.035 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)[C@H]1C ZINC000876831576 590247669 /nfs/dbraw/zinc/24/76/69/590247669.db2.gz HKAAWFWNKRBHID-XWLWVQCSSA-N 2 0 243.326 0.143 20 0 BCADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876838705 590248420 /nfs/dbraw/zinc/24/84/20/590248420.db2.gz UVPLBLLOUULDKY-ISVJBFRGSA-N 2 0 249.358 0.220 20 0 BCADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876838699 590248422 /nfs/dbraw/zinc/24/84/22/590248422.db2.gz UVPLBLLOUULDKY-BCJLQMFYSA-N 2 0 249.358 0.220 20 0 BCADRP O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876838693 590248478 /nfs/dbraw/zinc/24/84/78/590248478.db2.gz UUBBOYYHDBYECN-CZXHOFHRSA-N 2 0 249.358 0.196 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876837162 590248487 /nfs/dbraw/zinc/24/84/87/590248487.db2.gz HEGJGXVARFBIJE-QLJSQJDHSA-N 2 0 249.358 0.076 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876861323 590248982 /nfs/dbraw/zinc/24/89/82/590248982.db2.gz WOOIUUAYMSIFEC-JBDRJPRFSA-N 2 0 213.325 0.212 20 0 BCADRP C[C@@H](NC(=O)[C@]12CCC[C@H]1[NH2+]CC2)[C@H](C)[NH3+] ZINC000876860699 590250549 /nfs/dbraw/zinc/25/05/49/590250549.db2.gz HKJYSTOPLCNNPQ-XNDJQWLSSA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876860298 590250583 /nfs/dbraw/zinc/25/05/83/590250583.db2.gz XCKVBNXXKZNSSC-YUMQZZPRSA-N 2 0 249.305 0.460 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876860027 590250632 /nfs/dbraw/zinc/25/06/32/590250632.db2.gz QSRZASNRCRRAPA-VHSXEESVSA-N 2 0 241.379 0.994 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000876863243 590250870 /nfs/dbraw/zinc/25/08/70/590250870.db2.gz BNCMJOLZLSRWCH-GJMOJQLCSA-N 2 0 249.305 0.459 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876864989 590250983 /nfs/dbraw/zinc/25/09/83/590250983.db2.gz XMYBZARYZTVOBE-PVTPVBHGSA-N 2 0 225.336 0.396 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000876870303 590251339 /nfs/dbraw/zinc/25/13/39/590251339.db2.gz LXHFRAWITVYNDQ-GWOFURMSSA-N 2 0 239.363 0.603 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876872451 590251807 /nfs/dbraw/zinc/25/18/07/590251807.db2.gz ZYYLSGYOAUFYBO-GMTAPVOTSA-N 2 0 239.363 0.761 20 0 BCADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876872117 590252088 /nfs/dbraw/zinc/25/20/88/590252088.db2.gz REGQJWZFNHXRGH-JRNXBESPSA-N 2 0 249.358 0.363 20 0 BCADRP C[C@@]1(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000876870857 590252103 /nfs/dbraw/zinc/25/21/03/590252103.db2.gz RJVYQLCPBYJGSL-FOGDFJRCSA-N 2 0 225.336 0.372 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCc1c[nH]cn1 ZINC000876882860 590252695 /nfs/dbraw/zinc/25/26/95/590252695.db2.gz UHSGUFHSVUFEKH-DTWKUNHWSA-N 2 0 222.292 0.399 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CC[NH2+]CC1CC1 ZINC000876914670 590256348 /nfs/dbraw/zinc/25/63/48/590256348.db2.gz UZMZLXXRAKVPAI-NSHDSACASA-N 2 0 241.379 0.866 20 0 BCADRP CN(C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[C@@H](C[NH3+])C1CC1 ZINC000876914249 590256391 /nfs/dbraw/zinc/25/63/91/590256391.db2.gz OQUFEYSAVOFHDN-CIUDSAMLSA-N 2 0 247.289 0.022 20 0 BCADRP CN(C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)[C@@H](C[NH3+])C1CC1 ZINC000876913786 590256549 /nfs/dbraw/zinc/25/65/49/590256549.db2.gz LIMVOWUZVZKDQV-DCAQKATOSA-N 2 0 239.363 0.556 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876913112 590256610 /nfs/dbraw/zinc/25/66/10/590256610.db2.gz ALYOJSFNYOWTRH-OUAUKWLOSA-N 2 0 241.379 0.994 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876921218 590257333 /nfs/dbraw/zinc/25/73/33/590257333.db2.gz MOQRHFUDGJWDBB-VHSXEESVSA-N 2 0 231.315 0.002 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876922436 590257596 /nfs/dbraw/zinc/25/75/96/590257596.db2.gz ZKUWKIFNWFQUTR-NXEZZACHSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@H](C(=O)N1CC[C@]2(CCC[NH2+]2)C1)[NH+](C)C ZINC000876924986 590257853 /nfs/dbraw/zinc/25/78/53/590257853.db2.gz YSYCDULEENDQFH-ZYHUDNBSSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876934820 590258121 /nfs/dbraw/zinc/25/81/21/590258121.db2.gz ODRYSVYOBNYXOO-XKNYDFJKSA-N 2 0 227.352 0.602 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000876927548 590258400 /nfs/dbraw/zinc/25/84/00/590258400.db2.gz FPNZXBRNDVETDY-GWOFURMSSA-N 2 0 227.352 0.556 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000876932402 590258545 /nfs/dbraw/zinc/25/85/45/590258545.db2.gz LPJZBFXSIPHJIA-LNFKQOIKSA-N 2 0 239.363 0.746 20 0 BCADRP C[NH+](C)CC1(C(=O)NCCCCCC[NH3+])CC1 ZINC000876938152 590259079 /nfs/dbraw/zinc/25/90/79/590259079.db2.gz SAXTZIZTTBDMKR-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)CC[NH2+]CC1CC1 ZINC000876951800 590260455 /nfs/dbraw/zinc/26/04/55/590260455.db2.gz GPMCLLQKRVXRCW-CMPLNLGQSA-N 2 0 239.363 0.714 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876958035 590260767 /nfs/dbraw/zinc/26/07/67/590260767.db2.gz PGZLOYSJULRSNH-ZADCQDASSA-N 2 0 239.363 0.738 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000876956280 590260794 /nfs/dbraw/zinc/26/07/94/590260794.db2.gz ITFKJRIRYUYEON-UTUOFQBUSA-N 2 0 239.363 0.857 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876957983 590260886 /nfs/dbraw/zinc/26/08/86/590260886.db2.gz NNCNUUAGYSOOMA-BDAKNGLRSA-N 2 0 227.352 0.556 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000876956281 590261068 /nfs/dbraw/zinc/26/10/68/590261068.db2.gz ITFKJRIRYUYEON-WOPDTQHZSA-N 2 0 239.363 0.857 20 0 BCADRP CC1(C)[C@H](C(=O)NCC23CC(C2)C[NH2+]3)C[C@@H]1[NH3+] ZINC000876974716 590263333 /nfs/dbraw/zinc/26/33/33/590263333.db2.gz QSKRGXQHBDZXOC-XWDDTNKTSA-N 2 0 237.347 0.228 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000876974836 590263514 /nfs/dbraw/zinc/26/35/14/590263514.db2.gz VGGWDXSFPLGQMP-ZDOAFRLRSA-N 2 0 249.358 0.266 20 0 BCADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCC12CC(C1)C[NH2+]2 ZINC000876976176 590263721 /nfs/dbraw/zinc/26/37/21/590263721.db2.gz IZGYIHAPNDSPPM-FEORQELISA-N 2 0 249.358 0.410 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876976926 590263928 /nfs/dbraw/zinc/26/39/28/590263928.db2.gz PNBJCHPPEBJOMX-GMTAPVOTSA-N 2 0 241.379 0.849 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876979028 590264235 /nfs/dbraw/zinc/26/42/35/590264235.db2.gz YSVXKGGLODXNQB-BBBLOLIVSA-N 2 0 213.325 0.228 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000876978704 590264282 /nfs/dbraw/zinc/26/42/82/590264282.db2.gz NYEBSEOMEPQIFH-KYXWUPHJSA-N 2 0 243.326 0.258 20 0 BCADRP C[C@]1(NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000876980064 590264410 /nfs/dbraw/zinc/26/44/10/590264410.db2.gz DYHGLENHBWVHHJ-JQBPPHQNSA-N 2 0 237.347 0.410 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000876997860 590266893 /nfs/dbraw/zinc/26/68/93/590266893.db2.gz JAFIUIYLFMGIRC-NWDGAFQWSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000877005290 590267782 /nfs/dbraw/zinc/26/77/82/590267782.db2.gz QYPWAFBZCKZQCG-GXSJLCMTSA-N 2 0 237.347 0.528 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@]1(F)CC[NH2+]C1 ZINC000877002457 590267919 /nfs/dbraw/zinc/26/79/19/590267919.db2.gz VHIFVHRNEYSHBZ-ONGXEEELSA-N 2 0 241.310 0.089 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000877005151 590268035 /nfs/dbraw/zinc/26/80/35/590268035.db2.gz BCBLZEBVKNNSQU-MGCOHNPYSA-N 2 0 213.325 0.311 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000877005842 590268380 /nfs/dbraw/zinc/26/83/80/590268380.db2.gz MPTZJDOIBKQGTP-RKDXNWHRSA-N 2 0 213.325 0.167 20 0 BCADRP CCN(CC[NH3+])C(=O)C1CC[NH+](C2CC2)CC1 ZINC000877006067 590268473 /nfs/dbraw/zinc/26/84/73/590268473.db2.gz GDFGGZKPHXXVAB-UHFFFAOYSA-N 2 0 239.363 0.668 20 0 BCADRP [NH3+][C@H](CC(=O)N[C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000877006280 590268486 /nfs/dbraw/zinc/26/84/86/590268486.db2.gz ZHMUPSYOLSPCAR-MNOVXSKESA-N 2 0 237.347 0.515 20 0 BCADRP [NH3+]CCCCCCC(=O)NC[C@H]1COCC[NH2+]1 ZINC000877041935 590273595 /nfs/dbraw/zinc/27/35/95/590273595.db2.gz KWEICWJOMXHJAX-NSHDSACASA-N 2 0 243.351 0.000 20 0 BCADRP CC[NH2+]CC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000877054171 590275154 /nfs/dbraw/zinc/27/51/54/590275154.db2.gz GBPPAFFNYHUXOP-UHFFFAOYSA-N 2 0 249.314 0.717 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)CC1CC[NH2+]CC1 ZINC000877095923 590281852 /nfs/dbraw/zinc/28/18/52/590281852.db2.gz UZPGBWDGBQNQFT-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000877095407 590282220 /nfs/dbraw/zinc/28/22/20/590282220.db2.gz LUPPPMXUXATTJB-GXFFZTMASA-N 2 0 247.342 0.679 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000877102215 590283268 /nfs/dbraw/zinc/28/32/68/590283268.db2.gz BYNHNBNECDSNFL-SFYZADRCSA-N 2 0 235.278 0.037 20 0 BCADRP CC[C@@H](C(=O)N(C)C[C@H](C)[NH3+])[NH+](CC)CC ZINC000877102167 590283401 /nfs/dbraw/zinc/28/34/01/590283401.db2.gz ASFKNQIASHCBKW-QWRGUYRKSA-N 2 0 229.368 0.912 20 0 BCADRP CC[C@H](C(=O)N(C)C[C@H](C)[NH3+])[NH+](CC)CC ZINC000877102168 590283456 /nfs/dbraw/zinc/28/34/56/590283456.db2.gz ASFKNQIASHCBKW-WDEREUQCSA-N 2 0 229.368 0.912 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877102703 590283643 /nfs/dbraw/zinc/28/36/43/590283643.db2.gz MFVONGCVWYCDHK-BBBLOLIVSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000877102774 590283684 /nfs/dbraw/zinc/28/36/84/590283684.db2.gz DLLBBNXLBWSTFD-ZJUUUORDSA-N 2 0 213.325 0.276 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103073 590283729 /nfs/dbraw/zinc/28/37/29/590283729.db2.gz PVRGIPJJKXBTQD-NXEZZACHSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000877102772 590283805 /nfs/dbraw/zinc/28/38/05/590283805.db2.gz DLLBBNXLBWSTFD-UWVGGRQHSA-N 2 0 213.325 0.276 20 0 BCADRP CC[C@@]1(C(=O)N(C)C[C@H](C)[NH3+])CCC[NH2+]1 ZINC000877103479 590283862 /nfs/dbraw/zinc/28/38/62/590283862.db2.gz VGCPADVWVPEYSY-ONGXEEELSA-N 2 0 213.325 0.324 20 0 BCADRP CC[C@H](C(=O)N(C)C[C@@H](C)[NH3+])[NH+](C)C ZINC000877104355 590284026 /nfs/dbraw/zinc/28/40/26/590284026.db2.gz ANAXTRLUOFWACT-RKDXNWHRSA-N 2 0 201.314 0.132 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000877104087 590284334 /nfs/dbraw/zinc/28/43/34/590284334.db2.gz BGXMIHUZVKKRCM-HOSYDEDBSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH3+])[C@@H](C)[NH3+] ZINC000877106274 590285418 /nfs/dbraw/zinc/28/54/18/590285418.db2.gz WOBXZRNXADXMGE-AEJSXWLSSA-N 2 0 215.341 0.411 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000877108740 590286209 /nfs/dbraw/zinc/28/62/09/590286209.db2.gz WGPSVCHVPPFBJD-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)CC[NH2+]CC1CC1 ZINC000877109058 590286249 /nfs/dbraw/zinc/28/62/49/590286249.db2.gz ZBXQATBWODAQAU-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000877112281 590287424 /nfs/dbraw/zinc/28/74/24/590287424.db2.gz SWERUNIIKUPXJS-DSNCGQHDSA-N 2 0 237.347 0.265 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000877126409 590289928 /nfs/dbraw/zinc/28/99/28/590289928.db2.gz JYTCGFGTMUGHAL-QWRGUYRKSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000877126410 590290082 /nfs/dbraw/zinc/29/00/82/590290082.db2.gz JYTCGFGTMUGHAL-WDEREUQCSA-N 2 0 239.363 0.857 20 0 BCADRP CC(C)([NH3+])C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877158036 590293769 /nfs/dbraw/zinc/29/37/69/590293769.db2.gz OSTBELYGJIBRFI-SECBINFHSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000877168300 590295430 /nfs/dbraw/zinc/29/54/30/590295430.db2.gz JEPWSFKKXFZUNH-NAKRPEOUSA-N 2 0 223.320 0.077 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCCCCC[NH3+] ZINC000877173275 590296902 /nfs/dbraw/zinc/29/69/02/590296902.db2.gz BXHFYGVLQZNIBB-GHMZBOCLSA-N 2 0 227.352 0.844 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000877183807 590298046 /nfs/dbraw/zinc/29/80/46/590298046.db2.gz DKXRQCFYROTQHP-ZUXSNHBTSA-N 2 0 237.347 0.596 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877184169 590298411 /nfs/dbraw/zinc/29/84/11/590298411.db2.gz LAJZOIXGGDCXGH-YZRBJQDESA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]([NH3+])C1CCC1 ZINC000877185494 590298471 /nfs/dbraw/zinc/29/84/71/590298471.db2.gz CDOIQHIBEUSVGV-AKJDGMEZSA-N 2 0 237.347 0.596 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000877187561 590298695 /nfs/dbraw/zinc/29/86/95/590298695.db2.gz BBGHLMNKCUNHBZ-QCKFIBFJSA-N 2 0 249.358 0.468 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@H]1CCC[NH2+]1 ZINC000877191662 590299247 /nfs/dbraw/zinc/29/92/47/590299247.db2.gz AILKKGDNQVHKSV-SQLBVSGCSA-N 2 0 223.320 0.221 20 0 BCADRP [NH3+]CC1(NC(=O)[C@]2(F)CC[NH2+]C2)CCCCC1 ZINC000877205947 590301003 /nfs/dbraw/zinc/30/10/03/590301003.db2.gz YZHTZJPVMWMEML-LBPRGKRZSA-N 2 0 243.326 0.466 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242062 590302162 /nfs/dbraw/zinc/30/21/62/590302162.db2.gz BCRVTOFYMRDMKI-OUAUKWLOSA-N 2 0 227.352 0.603 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)C1 ZINC000877240721 590302170 /nfs/dbraw/zinc/30/21/70/590302170.db2.gz AMNBVZDVBGCALK-LAXGUNSLSA-N 2 0 237.347 0.396 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000877243163 590302484 /nfs/dbraw/zinc/30/24/84/590302484.db2.gz HXPJOFYQEMRGPS-MGCOHNPYSA-N 2 0 237.347 0.515 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000877244764 590302933 /nfs/dbraw/zinc/30/29/33/590302933.db2.gz NSRRKILKNZAZMS-DTORHVGOSA-N 2 0 211.309 0.111 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877244324 590302997 /nfs/dbraw/zinc/30/29/97/590302997.db2.gz ANZWBCXPQBNEHW-OQGFSKKLSA-N 2 0 237.347 0.252 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000877243842 590303012 /nfs/dbraw/zinc/30/30/12/590303012.db2.gz PWYSMAAQUNJKQT-RAIGVLPGSA-N 2 0 247.342 0.848 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877243675 590303137 /nfs/dbraw/zinc/30/31/37/590303137.db2.gz RPXXKUQKCZMREM-IMSYWVGJSA-N 2 0 213.325 0.213 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000877245515 590303252 /nfs/dbraw/zinc/30/32/52/590303252.db2.gz FCWKXMCLMYDMMR-SOEHQHRVSA-N 2 0 237.347 0.371 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877251056 590303769 /nfs/dbraw/zinc/30/37/69/590303769.db2.gz WYHGDNXUTMPESO-WOPDTQHZSA-N 2 0 239.363 0.537 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000877259543 590304284 /nfs/dbraw/zinc/30/42/84/590304284.db2.gz GWXKIYWRULQLOM-ZDUSSCGKSA-N 2 0 241.379 0.819 20 0 BCADRP C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000877254190 590304304 /nfs/dbraw/zinc/30/43/04/590304304.db2.gz RECFOPDBLJMXIL-JOYOIKCWSA-N 2 0 237.347 0.538 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC000877253158 590304386 /nfs/dbraw/zinc/30/43/86/590304386.db2.gz MIPGHIAZEJOFIE-PWSUYJOCSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)[NH+](C)C ZINC000877271004 590304848 /nfs/dbraw/zinc/30/48/48/590304848.db2.gz AQINKICVXQRVIZ-AXFHLTTASA-N 2 0 225.336 0.289 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000877273296 590305649 /nfs/dbraw/zinc/30/56/49/590305649.db2.gz NTDQSNDMLZEVCW-UTUOFQBUSA-N 2 0 235.331 0.387 20 0 BCADRP [NH3+][C@H](CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)C1CC1 ZINC000877279983 590306247 /nfs/dbraw/zinc/30/62/47/590306247.db2.gz AUCPZBWWNAPTJF-UTUOFQBUSA-N 2 0 237.347 0.467 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877281265 590306352 /nfs/dbraw/zinc/30/63/52/590306352.db2.gz GTJLAAIGPIVWHU-UTUOFQBUSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877286100 590307110 /nfs/dbraw/zinc/30/71/10/590307110.db2.gz ATWWLFCWJZCONW-VXGBXAGGSA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)o1 ZINC000877286680 590307139 /nfs/dbraw/zinc/30/71/39/590307139.db2.gz GHYCBSLFLVLAFT-MNOVXSKESA-N 2 0 249.314 0.705 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)CC[NH2+]CC2CC2)CC1 ZINC000877293709 590308197 /nfs/dbraw/zinc/30/81/97/590308197.db2.gz SJCTYMLMMNWNCX-HAQNSBGRSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877342828 590317563 /nfs/dbraw/zinc/31/75/63/590317563.db2.gz FWWKABKVOPGZFB-GWCFXTLKSA-N 2 0 247.342 0.412 20 0 BCADRP CC(C)([NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877346287 590318937 /nfs/dbraw/zinc/31/89/37/590318937.db2.gz AMXVPAIHBXXGGQ-LBPRGKRZSA-N 2 0 247.342 0.554 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@H](C)[NH3+] ZINC000877373991 590319920 /nfs/dbraw/zinc/31/99/20/590319920.db2.gz SOFNELHPEYRYRQ-FYLLDIAZSA-N 2 0 225.336 0.038 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)C1 ZINC000877386191 590320330 /nfs/dbraw/zinc/32/03/30/590320330.db2.gz PUPFZKGWHZJBPI-GMOBBJLQSA-N 2 0 223.320 0.125 20 0 BCADRP C[C@@H](C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2)[NH+](C)C ZINC000877384647 590320451 /nfs/dbraw/zinc/32/04/51/590320451.db2.gz KZSGPXPUOVZPIU-JBLDHEPKSA-N 2 0 225.336 0.337 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000877386189 590320814 /nfs/dbraw/zinc/32/08/14/590320814.db2.gz PUPFZKGWHZJBPI-DNRKLUKYSA-N 2 0 223.320 0.125 20 0 BCADRP [NH3+]CC1(CC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000877386119 590320846 /nfs/dbraw/zinc/32/08/46/590320846.db2.gz GLXOCRFEAVVPPW-MFKMUULPSA-N 2 0 237.347 0.516 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877393152 590322062 /nfs/dbraw/zinc/32/20/62/590322062.db2.gz WDASVUHAHSVEIA-OPQQBVKSSA-N 2 0 237.347 0.385 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877398895 590322138 /nfs/dbraw/zinc/32/21/38/590322138.db2.gz JADZPOWIXVBOJU-SKDRFNHKSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877390720 590322143 /nfs/dbraw/zinc/32/21/43/590322143.db2.gz LSMFVJJQUSNFPS-KQXIARHKSA-N 2 0 237.347 0.385 20 0 BCADRP O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC000877392837 590322305 /nfs/dbraw/zinc/32/23/05/590322305.db2.gz URQKEGGXCLCEIH-MDZLAQPJSA-N 2 0 237.347 0.387 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877390727 590322497 /nfs/dbraw/zinc/32/24/97/590322497.db2.gz LVNOLGBWUGXOLR-YWVKMMECSA-N 2 0 211.309 0.125 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877391045 590322510 /nfs/dbraw/zinc/32/25/10/590322510.db2.gz MAMONKIYHVSBKF-DGCLKSJQSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877399302 590322923 /nfs/dbraw/zinc/32/29/23/590322923.db2.gz MMRARHHSRZXWFL-ZWNOBZJWSA-N 2 0 239.363 0.905 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)o1 ZINC000877399292 590323280 /nfs/dbraw/zinc/32/32/80/590323280.db2.gz MLHXCOGIJYIDIG-AAEUAGOBSA-N 2 0 249.314 0.753 20 0 BCADRP [NH3+]CCC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877401522 590323526 /nfs/dbraw/zinc/32/35/26/590323526.db2.gz HDUWNTYSDPWWMZ-LLVKDONJSA-N 2 0 239.363 0.764 20 0 BCADRP O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)C1CC[NH2+]CC1 ZINC000877400799 590323762 /nfs/dbraw/zinc/32/37/62/590323762.db2.gz WPRIJGYJEUXLMT-DGCLKSJQSA-N 2 0 237.347 0.387 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000877436915 590327880 /nfs/dbraw/zinc/32/78/80/590327880.db2.gz OSXDLROLTPBEOV-XYPYZODXSA-N 2 0 227.352 0.701 20 0 BCADRP C[C@@H](C(=O)N(C)CCCCCC[NH3+])[C@H](C)[NH3+] ZINC000877437972 590328281 /nfs/dbraw/zinc/32/82/81/590328281.db2.gz FKDPVALKLNAZTM-MNOVXSKESA-N 2 0 229.368 0.947 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(C)CCCCCC[NH3+] ZINC000877444480 590328726 /nfs/dbraw/zinc/32/87/26/590328726.db2.gz MEEKJEQZHKBEDA-SECBINFHSA-N 2 0 201.314 0.311 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N(C)CCCCCC[NH3+] ZINC000877444484 590329075 /nfs/dbraw/zinc/32/90/75/590329075.db2.gz MIXWFXPUVHWXEQ-NSHDSACASA-N 2 0 229.368 0.947 20 0 BCADRP CC(C)[C@@H](O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000877982258 590465022 /nfs/dbraw/zinc/46/50/22/590465022.db2.gz NEGAGYFCRZZZCE-TUAOUCFPSA-N 2 0 212.337 0.545 20 0 BCADRP C[NH+](C)C[C@]1(O)CCCN(CCF)C1 ZINC000878864806 590634270 /nfs/dbraw/zinc/63/42/70/590634270.db2.gz AOKOEQXFHQTQLC-SNVBAGLBSA-N 2 0 204.289 0.344 20 0 BCADRP C[C@H](C(=O)N1CCC12CC[NH+](C)CC2)[NH+](C)C ZINC000878954723 590661802 /nfs/dbraw/zinc/66/18/02/590661802.db2.gz DDSUPFCCDQKPJO-LLVKDONJSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000127621409 590724627 /nfs/dbraw/zinc/72/46/27/590724627.db2.gz RVFKLANAFHPZLP-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573769 590811733 /nfs/dbraw/zinc/81/17/33/590811733.db2.gz RCUJKGZVFOUZPS-TUAOUCFPSA-N 2 0 212.337 0.783 20 0 BCADRP CNC(=O)CCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578613 590817335 /nfs/dbraw/zinc/81/73/35/590817335.db2.gz FYWJXZWLSLLNNK-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000879581339 590820548 /nfs/dbraw/zinc/82/05/48/590820548.db2.gz YRCFIYBGUNBIJN-AVGNSLFASA-N 2 0 242.363 0.674 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000882486934 591364450 /nfs/dbraw/zinc/36/44/50/591364450.db2.gz YPZKLKKCSPWHQJ-RYUDHWBXSA-N 2 0 241.379 0.783 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)[NH+](C)C ZINC000882496143 591378351 /nfs/dbraw/zinc/37/83/51/591378351.db2.gz PEBNNXYYJBTJBJ-ZJUUUORDSA-N 2 0 213.325 0.147 20 0 BCADRP C[C@@H](CNC(=O)C[C@H]([NH3+])C1CC1)[NH+](C)C ZINC000129810120 591410203 /nfs/dbraw/zinc/41/02/03/591410203.db2.gz MCYJLZZKCRLZAU-WPRPVWTQSA-N 2 0 213.325 0.180 20 0 BCADRP COC[C@H]1C[C@@H]([NH2+][C@H]2CN(C)C[C@H]2C)C1 ZINC000883316105 591611659 /nfs/dbraw/zinc/61/16/59/591611659.db2.gz KSKNATPXMFMXLC-WYUUTHIRSA-N 2 0 212.337 0.951 20 0 BCADRP CN(C[C@@H]1C[C@H](F)C[NH2+]1)CC(C)(C)C[NH3+] ZINC000883417627 591653108 /nfs/dbraw/zinc/65/31/08/591653108.db2.gz IDTVLWYJTLTPQS-UWVGGRQHSA-N 2 0 217.332 0.603 20 0 BCADRP C[NH2+][C@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883417167 591652188 /nfs/dbraw/zinc/65/21/88/591652188.db2.gz PRFSNMJQKFXIOJ-DCAQKATOSA-N 2 0 215.316 0.370 20 0 BCADRP [NH3+][C@@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883416351 591652941 /nfs/dbraw/zinc/65/29/41/591652941.db2.gz SLPSHIUFFGLMBF-AEJSXWLSSA-N 2 0 201.289 0.110 20 0 BCADRP C[C@H](C[NH3+])N(C)C[C@H]1CCC2(CCOCC2)O1 ZINC000883418172 591654211 /nfs/dbraw/zinc/65/42/11/591654211.db2.gz ZOMQGJMBWDJWSU-VXGBXAGGSA-N 2 0 242.363 0.994 20 0 BCADRP CC(C)C[NH+]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883421969 591656996 /nfs/dbraw/zinc/65/69/96/591656996.db2.gz AVNPBGQXMBMXJI-STQMWFEESA-N 2 0 243.370 0.960 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883423197 591658521 /nfs/dbraw/zinc/65/85/21/591658521.db2.gz GAPDZNWOPSOTBH-SRVKXCTJSA-N 2 0 229.343 0.712 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883425262 591659312 /nfs/dbraw/zinc/65/93/12/591659312.db2.gz QPGLTXWASBPXLM-SDDRHHMPSA-N 2 0 229.343 0.760 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883429326 591660546 /nfs/dbraw/zinc/66/05/46/591660546.db2.gz SAWDTSXBTKNEJO-VLEAKVRGSA-N 2 0 215.316 0.369 20 0 BCADRP C[C@H]1[NH2+]CCN(C[C@@H]2C[C@H](F)C[NH2+]2)[C@@H]1C ZINC000883427563 591660790 /nfs/dbraw/zinc/66/07/90/591660790.db2.gz VRQLWEQOYYGNDO-ZNSHCXBVSA-N 2 0 215.316 0.369 20 0 BCADRP C[C@H]1C[N@H+](C)[C@@H](C)CN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883430996 591661769 /nfs/dbraw/zinc/66/17/69/591661769.db2.gz JXXPLYBAZPQSDB-BJDJZHNGSA-N 2 0 229.343 0.711 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883430999 591661872 /nfs/dbraw/zinc/66/18/72/591661872.db2.gz JXXPLYBAZPQSDB-WYUUTHIRSA-N 2 0 229.343 0.711 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000883432794 591663303 /nfs/dbraw/zinc/66/33/03/591663303.db2.gz ADHQNTCBPHOTLU-SRVKXCTJSA-N 2 0 227.327 0.514 20 0 BCADRP [NH3+][C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CC[C@H]1F ZINC000883436022 591665223 /nfs/dbraw/zinc/66/52/23/591665223.db2.gz ISNGJNODVQOATB-AXTSPUMRSA-N 2 0 219.279 0.058 20 0 BCADRP C[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@H]1C[NH3+] ZINC000883438373 591666708 /nfs/dbraw/zinc/66/67/08/591666708.db2.gz RDCXTCFDPBKTTB-ZNSHCXBVSA-N 2 0 215.316 0.213 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883438014 591666755 /nfs/dbraw/zinc/66/67/55/591666755.db2.gz HZGZNWBIAGRXNR-XKNYDFJKSA-N 2 0 201.289 0.108 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1CCOCC[NH3+] ZINC000883449766 591671087 /nfs/dbraw/zinc/67/10/87/591671087.db2.gz KHEIWOFXKMCBBJ-LLVKDONJSA-N 2 0 215.341 0.036 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C[C@H]1C[NH2+]CCO1 ZINC000883450283 591671633 /nfs/dbraw/zinc/67/16/33/591671633.db2.gz IBCBIUTVRZZHKL-VXGBXAGGSA-N 2 0 227.352 0.049 20 0 BCADRP CN(C[C@@H]1C[NH2+]CCO1)C1(C[NH3+])CCCCC1 ZINC000883455180 591672988 /nfs/dbraw/zinc/67/29/88/591672988.db2.gz WDDZIQUEOBFHKP-LBPRGKRZSA-N 2 0 241.379 0.568 20 0 BCADRP CO[C@@H]1COCC[C@H]1[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000883461159 591673602 /nfs/dbraw/zinc/67/36/02/591673602.db2.gz OWCPSWAALDXYTK-JHJVBQTASA-N 2 0 242.363 0.722 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000883698077 591722198 /nfs/dbraw/zinc/72/21/98/591722198.db2.gz XGEXRJBFIVQLOE-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000884005247 591793010 /nfs/dbraw/zinc/79/30/10/591793010.db2.gz ZFIDOHLLNWWGKF-MNOVXSKESA-N 2 0 241.379 0.946 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000884012970 591798507 /nfs/dbraw/zinc/79/85/07/591798507.db2.gz ZTPRXYNQFNSARL-NSHDSACASA-N 2 0 239.363 0.348 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H](CC(C)C)[NH2+]C ZINC000884012886 591799181 /nfs/dbraw/zinc/79/91/81/591799181.db2.gz XYYGCIPBHMAPFF-JTQLQIEISA-N 2 0 215.341 0.346 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000884017550 591800315 /nfs/dbraw/zinc/80/03/15/591800315.db2.gz ZJZHUTNWGCJSQX-MNOVXSKESA-N 2 0 239.363 0.429 20 0 BCADRP C[C@H](NC(=O)[C@H]([NH3+])CC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000884019409 591801363 /nfs/dbraw/zinc/80/13/63/591801363.db2.gz SLEWWYWVIGUMLP-MVWJERBFSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000884020695 591801690 /nfs/dbraw/zinc/80/16/90/591801690.db2.gz GYYBKGHDMMFZPW-MNOVXSKESA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000884028808 591812668 /nfs/dbraw/zinc/81/26/68/591812668.db2.gz SAWZECACCZJABE-QWRGUYRKSA-N 2 0 241.379 0.816 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000884030198 591813551 /nfs/dbraw/zinc/81/35/51/591813551.db2.gz JAXVNOXWCIJCAK-SRVKXCTJSA-N 2 0 241.379 0.829 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC2(C)C)C[C@H](C)[NH2+]1 ZINC000884030402 591814185 /nfs/dbraw/zinc/81/41/85/591814185.db2.gz NMLUSHLRLORGBS-AXFHLTTASA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884031853 591814910 /nfs/dbraw/zinc/81/49/10/591814910.db2.gz AZMSVNSCIVFXNS-WDEREUQCSA-N 2 0 241.379 0.722 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884031813 591814919 /nfs/dbraw/zinc/81/49/19/591814919.db2.gz ZZWWZYMVOGHFMV-SNVBAGLBSA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884031850 591814987 /nfs/dbraw/zinc/81/49/87/591814987.db2.gz AZMSVNSCIVFXNS-GHMZBOCLSA-N 2 0 241.379 0.722 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000884031148 591815265 /nfs/dbraw/zinc/81/52/65/591815265.db2.gz HXCJWJCHSWGGEX-QWRGUYRKSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884033687 591816316 /nfs/dbraw/zinc/81/63/16/591816316.db2.gz REIJDBFSHBIJOP-DLOVCJGASA-N 2 0 239.363 0.700 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[NH2+]CC1(C)C ZINC000884037592 591818316 /nfs/dbraw/zinc/81/83/16/591818316.db2.gz GCLWMYFQCYOVBT-JTQLQIEISA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)CCC[NH3+] ZINC000884037158 591818581 /nfs/dbraw/zinc/81/85/81/591818581.db2.gz RAMOCBSYWWGHJW-JTQLQIEISA-N 2 0 229.368 0.803 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC(C)(C)[NH3+] ZINC000884038424 591819952 /nfs/dbraw/zinc/81/99/52/591819952.db2.gz HQSYTPZGRURQHW-VIFPVBQESA-N 2 0 215.341 0.474 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000884199158 591872847 /nfs/dbraw/zinc/87/28/47/591872847.db2.gz QWVYUYIHLDBFBR-MNOVXSKESA-N 2 0 229.368 0.687 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H](C)C[NH3+] ZINC000884237580 591876374 /nfs/dbraw/zinc/87/63/74/591876374.db2.gz GXDCTSXLGMUKET-ZJUUUORDSA-N 2 0 215.341 0.332 20 0 BCADRP C[C@@]1(CNC(=O)[C@@H]([NH3+])CC2CC2)CCC[NH2+]C1 ZINC000884246966 591883116 /nfs/dbraw/zinc/88/31/16/591883116.db2.gz DTEFBMRANXLCBF-WCQYABFASA-N 2 0 239.363 0.620 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000884254765 591884876 /nfs/dbraw/zinc/88/48/76/591884876.db2.gz RJLKTRRLYNESMW-SDDRHHMPSA-N 2 0 241.379 0.735 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000884254767 591885572 /nfs/dbraw/zinc/88/55/72/591885572.db2.gz RJLKTRRLYNESMW-WOPDTQHZSA-N 2 0 241.379 0.735 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884253988 591885592 /nfs/dbraw/zinc/88/55/92/591885592.db2.gz AYKGYLPCLUNJKL-OUAUKWLOSA-N 2 0 239.363 0.346 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884253989 591885771 /nfs/dbraw/zinc/88/57/71/591885771.db2.gz AYKGYLPCLUNJKL-VWYCJHECSA-N 2 0 239.363 0.346 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H](CC(C)C)[NH2+]C ZINC000884275141 591891299 /nfs/dbraw/zinc/89/12/99/591891299.db2.gz DORIRVANJUXQOB-MNOVXSKESA-N 2 0 229.368 0.735 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000884279327 591892162 /nfs/dbraw/zinc/89/21/62/591892162.db2.gz IJYZFGHSOZGWJE-AAEUAGOBSA-N 2 0 241.379 0.818 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000884279982 591892194 /nfs/dbraw/zinc/89/21/94/591892194.db2.gz ZCULPJFLRNWEJO-ZWNOBZJWSA-N 2 0 239.363 0.429 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000884293479 591895463 /nfs/dbraw/zinc/89/54/63/591895463.db2.gz DHXQIHFVQGQLCC-IJLUTSLNSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884293750 591895974 /nfs/dbraw/zinc/89/59/74/591895974.db2.gz KRKCOEWSIHWELE-JTQLQIEISA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884292232 591896129 /nfs/dbraw/zinc/89/61/29/591896129.db2.gz UCBIERMLFRFETM-MWLCHTKSSA-N 2 0 227.352 0.748 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)[C@H]([NH3+])CC1CC1)C(F)F ZINC000884296624 591896747 /nfs/dbraw/zinc/89/67/47/591896747.db2.gz BPEPKKOYKVFKFG-HTQZYQBOSA-N 2 0 235.278 0.213 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884296342 591896899 /nfs/dbraw/zinc/89/68/99/591896899.db2.gz VKHBUWPLUATVLT-WCBMZHEXSA-N 2 0 213.325 0.357 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H](CC(C)C)[NH2+]C ZINC000884296671 591896948 /nfs/dbraw/zinc/89/69/48/591896948.db2.gz CLPVFTHVQSYOEU-ZJUUUORDSA-N 2 0 215.341 0.474 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884296971 591897302 /nfs/dbraw/zinc/89/73/02/591897302.db2.gz IVKDXXDDPFWRLQ-DTWKUNHWSA-N 2 0 213.325 0.086 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884304431 591899544 /nfs/dbraw/zinc/89/95/44/591899544.db2.gz OPXWJKWQEUOTDE-NXEZZACHSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)C[C@@H]1C[NH3+] ZINC000884341334 591906344 /nfs/dbraw/zinc/90/63/44/591906344.db2.gz WSAFQPHEDXRSFV-USWWRNFRSA-N 2 0 239.363 0.557 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)CC[NH3+] ZINC000884341988 591906375 /nfs/dbraw/zinc/90/63/75/591906375.db2.gz MZFJRVZFKUSEAV-SECBINFHSA-N 2 0 215.341 0.413 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884347772 591908635 /nfs/dbraw/zinc/90/86/35/591908635.db2.gz FOJTVFCYLHQGSC-HTQZYQBOSA-N 2 0 213.325 0.213 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884347940 591909011 /nfs/dbraw/zinc/90/90/11/591909011.db2.gz KGYPPKOXSCMKPJ-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1ccc(C[NH3+])o1 ZINC000884348345 591909556 /nfs/dbraw/zinc/90/95/56/591909556.db2.gz WKJOOTSXBXPSNK-ZJUUUORDSA-N 2 0 237.303 0.594 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884348115 591909763 /nfs/dbraw/zinc/90/97/63/591909763.db2.gz OIVYPLQRWMFLOJ-SFYZADRCSA-N 2 0 213.325 0.356 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C)[NH+](C)C ZINC000884358861 591912514 /nfs/dbraw/zinc/91/25/14/591912514.db2.gz ZNUCGPISUYEMDO-HBNTYKKESA-N 2 0 241.379 0.815 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884358876 591912806 /nfs/dbraw/zinc/91/28/06/591912806.db2.gz ZRCLMWYZSXLLPB-ZJUUUORDSA-N 2 0 241.379 0.994 20 0 BCADRP CC1(C)[C@H](NC(=O)c2c[nH+]ccc2N)C[C@@H]1[NH3+] ZINC000884358026 591913029 /nfs/dbraw/zinc/91/30/29/591913029.db2.gz KMGNVFMJYVHVCP-VHSXEESVSA-N 2 0 234.303 0.350 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CC1([NH3+])CC1 ZINC000884363079 591915619 /nfs/dbraw/zinc/91/56/19/591915619.db2.gz XBMFBOYWFFXMIG-YUMQZZPRSA-N 2 0 211.309 0.110 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884363803 591916581 /nfs/dbraw/zinc/91/65/81/591916581.db2.gz JAPUJWFNDNPXNT-AXFHLTTASA-N 2 0 241.379 0.992 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884363460 591916634 /nfs/dbraw/zinc/91/66/34/591916634.db2.gz CZQDQIUUSHGPCP-HLTSFMKQSA-N 2 0 213.325 0.226 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000884365958 591917369 /nfs/dbraw/zinc/91/73/69/591917369.db2.gz RAUJXOMDBDRJQJ-GWOFURMSSA-N 2 0 239.363 0.746 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000884365915 591917423 /nfs/dbraw/zinc/91/74/23/591917423.db2.gz QKMHJFHHMNDZMW-YTWAJWBKSA-N 2 0 239.363 0.746 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884366326 591917463 /nfs/dbraw/zinc/91/74/63/591917463.db2.gz XTFOVFRROTZUBN-GARJFASQSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884372578 591918382 /nfs/dbraw/zinc/91/83/82/591918382.db2.gz PLRRPZHNTOPXSM-XKSSXDPKSA-N 2 0 213.325 0.356 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884390295 591923930 /nfs/dbraw/zinc/92/39/30/591923930.db2.gz SGSXBCOCFNEAKN-OUAUKWLOSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)[C@H](C[NH3+])C1 ZINC000884411912 591928026 /nfs/dbraw/zinc/92/80/26/591928026.db2.gz CBYPNBCZKUFCMU-USWWRNFRSA-N 2 0 239.363 0.700 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)NCC[NH+]1CCCC1 ZINC000134480510 591930091 /nfs/dbraw/zinc/93/00/91/591930091.db2.gz HOZQNUNZBOMQJO-GFCCVEGCSA-N 2 0 239.363 0.588 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000884426879 591930684 /nfs/dbraw/zinc/93/06/84/591930684.db2.gz XOYSOYSLRPKGOL-NQBHXWOUSA-N 2 0 237.347 0.454 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884434410 591933279 /nfs/dbraw/zinc/93/32/79/591933279.db2.gz LEODFVVACWSVML-OUAUKWLOSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H](CNC(=O)CC[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000134528832 591935006 /nfs/dbraw/zinc/93/50/06/591935006.db2.gz MLOYHYFKXJPDNS-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP COCC[C@H]([NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884449608 591937317 /nfs/dbraw/zinc/93/73/17/591937317.db2.gz JLTPPUSNBBFNAK-QWRGUYRKSA-N 2 0 243.351 0.080 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884458888 591941333 /nfs/dbraw/zinc/94/13/33/591941333.db2.gz PIKKBKHVRALDJI-AXFHLTTASA-N 2 0 227.352 0.569 20 0 BCADRP [NH3+]CC1(NC(=O)[C@H]([NH3+])CC2CC2)CCCCC1 ZINC000884464482 591942128 /nfs/dbraw/zinc/94/21/28/591942128.db2.gz QTKABNYDNQCXSE-LLVKDONJSA-N 2 0 239.363 0.892 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000884469695 591943729 /nfs/dbraw/zinc/94/37/29/591943729.db2.gz SFXJKBJCXVCJDO-AXFHLTTASA-N 2 0 241.379 0.849 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000884469698 591944043 /nfs/dbraw/zinc/94/40/43/591944043.db2.gz SFXJKBJCXVCJDO-OUAUKWLOSA-N 2 0 241.379 0.849 20 0 BCADRP C([C@@H]1C[C@@]12CCOC2)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000885961392 592116124 /nfs/dbraw/zinc/11/61/24/592116124.db2.gz XBFJAIXCPDUXNU-QNWHQSFQSA-N 2 0 222.332 0.564 20 0 BCADRP C[NH+](C)C1CCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000137257100 592164944 /nfs/dbraw/zinc/16/49/44/592164944.db2.gz GARYSALZHJPILH-LBPRGKRZSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C[C@H]([NH3+])C2CC2)CC[N@@H+]1C ZINC000137448641 592183697 /nfs/dbraw/zinc/18/36/97/592183697.db2.gz KKQPPIOPTIUYRQ-USWWRNFRSA-N 2 0 239.363 0.713 20 0 BCADRP C([C@@H]1C[C@@]12CCOC2)[N@@H+]1CCC[NH2+]CC1 ZINC000886827412 592349619 /nfs/dbraw/zinc/34/96/19/592349619.db2.gz KOQXJBUGLPWJOZ-NWDGAFQWSA-N 2 0 210.321 0.708 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886828196 592351226 /nfs/dbraw/zinc/35/12/26/592351226.db2.gz ZABDFWCUDOHTHV-XQQFMLRXSA-N 2 0 224.348 0.954 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1C[C@]12CCOC2 ZINC000886840328 592360383 /nfs/dbraw/zinc/36/03/83/592360383.db2.gz ZEXRCWRUUPSTOG-BJDJZHNGSA-N 2 0 210.321 0.835 20 0 BCADRP [NH3+]CCN(CC[C@@H]1C[C@H]1C1CC1)C[C@@H](O)CO ZINC000886841192 592360755 /nfs/dbraw/zinc/36/07/55/592360755.db2.gz FCAHUZJCBIPXSW-UPJWGTAASA-N 2 0 242.363 0.037 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1C[C@@]12CCOC2 ZINC000886840329 592361068 /nfs/dbraw/zinc/36/10/68/592361068.db2.gz ZEXRCWRUUPSTOG-FIQHERPVSA-N 2 0 210.321 0.835 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886857939 592369982 /nfs/dbraw/zinc/36/99/82/592369982.db2.gz GLKDOPZHSGGVKC-AXFHLTTASA-N 2 0 230.377 0.252 20 0 BCADRP C([C@@H]1CNCCO1)[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886859955 592371131 /nfs/dbraw/zinc/37/11/31/592371131.db2.gz LURNNICIPLGZPZ-AVGNSLFASA-N 2 0 240.347 0.476 20 0 BCADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCO ZINC000887131080 592449172 /nfs/dbraw/zinc/44/91/72/592449172.db2.gz QQEJNOZRRQJHBX-GFCCVEGCSA-N 2 0 235.331 0.975 20 0 BCADRP C[C@@H](CNC(=[NH2+])NCC1CC1)[N@H+](C)C1CC1 ZINC000887352938 592486502 /nfs/dbraw/zinc/48/65/02/592486502.db2.gz VGELIQXCMSWITB-VIFPVBQESA-N 2 0 224.352 0.993 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=[NH2+])NCC2CC2)C1 ZINC000887354304 592487397 /nfs/dbraw/zinc/48/73/97/592487397.db2.gz YNIXAYIJMUMQLV-SNVBAGLBSA-N 2 0 224.352 0.852 20 0 BCADRP C[NH+](C)C1(CNC(=[NH2+])NCC2CC2)CCC1 ZINC000887357671 592488534 /nfs/dbraw/zinc/48/85/34/592488534.db2.gz AHYJUVWRMHUSBM-UHFFFAOYSA-N 2 0 224.352 0.995 20 0 BCADRP C[C@@H]1OCC[C@]1(C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000300423876 592512825 /nfs/dbraw/zinc/51/28/25/592512825.db2.gz XEMWWDNGBPQNLP-AVGNSLFASA-N 2 0 242.363 0.600 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000121539691 592517185 /nfs/dbraw/zinc/51/71/85/592517185.db2.gz VMSIDDCSLUUHDR-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000302674571 592551619 /nfs/dbraw/zinc/55/16/19/592551619.db2.gz MYKRYEYYCSDUMT-LBPRGKRZSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000302692020 592552182 /nfs/dbraw/zinc/55/21/82/592552182.db2.gz SUNUMUCTTDTFTE-PWSUYJOCSA-N 2 0 237.347 0.467 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]([NH3+])CC1CC1 ZINC000302695367 592552272 /nfs/dbraw/zinc/55/22/72/592552272.db2.gz UKKQJSQPUSYBQH-CMPLNLGQSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]([NH3+])CC1CC1 ZINC000302695372 592552322 /nfs/dbraw/zinc/55/23/22/592552322.db2.gz UKKQJSQPUSYBQH-ZYHUDNBSSA-N 2 0 241.379 0.960 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000302716087 592553406 /nfs/dbraw/zinc/55/34/06/592553406.db2.gz ZIHBCIXEAHSLAX-NWDGAFQWSA-N 2 0 239.363 0.714 20 0 BCADRP Cn1cnc(CCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000925702368 634378095 /nfs/dbraw/zinc/37/80/95/634378095.db2.gz BWGCDQJQPVYGPC-GHMZBOCLSA-N 2 0 249.362 0.607 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000925703152 634379820 /nfs/dbraw/zinc/37/98/20/634379820.db2.gz CUDMQDWRZUXEAU-LPEHRKFASA-N 2 0 215.316 0.417 20 0 BCADRP C[C@@H]1NCCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000925703041 634380031 /nfs/dbraw/zinc/38/00/31/634380031.db2.gz SDHNZVGUKXKRAB-QWRGUYRKSA-N 2 0 211.353 0.846 20 0 BCADRP CCC[N@@H+]1CC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925703670 634381607 /nfs/dbraw/zinc/38/16/07/634381607.db2.gz AXBWEWGMQUMBEJ-RYUDHWBXSA-N 2 0 227.352 0.049 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NCCC[NH2+]C1CC1 ZINC000925705462 634386834 /nfs/dbraw/zinc/38/68/34/634386834.db2.gz JDBRMUUDJBKZQN-PWSUYJOCSA-N 2 0 211.353 0.859 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000925707604 634395390 /nfs/dbraw/zinc/39/53/90/634395390.db2.gz LXZMBKSKKMUAKH-BDAKNGLRSA-N 2 0 233.306 0.714 20 0 BCADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C12CCC2 ZINC000925709726 634406972 /nfs/dbraw/zinc/40/69/72/634406972.db2.gz QCZXZNQTYCGKIS-GRYCIOLGSA-N 3 0 235.375 0.988 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CC12CC[NH2+]CC2 ZINC000925712445 634415139 /nfs/dbraw/zinc/41/51/39/634415139.db2.gz UWXSDFYYKBRDNS-WDEREUQCSA-N 2 0 223.364 0.859 20 0 BCADRP COC[C@H](CC[NH2+][C@@H]1CC[NH2+]C12CCC2)OC ZINC000925713188 634415609 /nfs/dbraw/zinc/41/56/09/634415609.db2.gz KSMFFSAFMCRNDM-NWDGAFQWSA-N 2 0 242.363 0.912 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCCCC[C@H]1CO ZINC000124775725 634432358 /nfs/dbraw/zinc/43/23/58/634432358.db2.gz DGBLSRBJCWJEGF-NSHDSACASA-N 2 0 200.326 0.833 20 0 BCADRP C[N@@H+]1CCC[C@H]1CN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925716575 634449180 /nfs/dbraw/zinc/44/91/80/634449180.db2.gz AJUJMBSUYJVSBI-SDDRHHMPSA-N 2 0 223.364 0.940 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NCC1([NH3+])CCOCC1 ZINC000925717238 634452884 /nfs/dbraw/zinc/45/28/84/634452884.db2.gz BAJRCNVRZSNNHH-SNVBAGLBSA-N 2 0 227.352 0.224 20 0 BCADRP CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027215675 634457780 /nfs/dbraw/zinc/45/77/80/634457780.db2.gz KWFTUUICERKPAX-VXGBXAGGSA-N 2 0 239.363 0.396 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257693961 634468735 /nfs/dbraw/zinc/46/87/35/634468735.db2.gz OGYHTIXDQMLRCZ-NEPJUHHUSA-N 2 0 209.337 0.424 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CCC[C@]12CC[NH2+]C2 ZINC000257741600 634488934 /nfs/dbraw/zinc/48/89/34/634488934.db2.gz YYDSHONCTGYQRE-NWDGAFQWSA-N 2 0 209.337 0.424 20 0 BCADRP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335622275 634498423 /nfs/dbraw/zinc/49/84/23/634498423.db2.gz BSSFQTDFBAUICH-WCQYABFASA-N 2 0 237.347 0.483 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335639262 634505180 /nfs/dbraw/zinc/50/51/80/634505180.db2.gz NJXKDIAESNEWJK-CMPLNLGQSA-N 2 0 225.336 0.324 20 0 BCADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335642143 634503731 /nfs/dbraw/zinc/50/37/31/634503731.db2.gz YLDFENXKTVWMNC-ZYHUDNBSSA-N 2 0 223.320 0.093 20 0 BCADRP C[C@@H]1CN(C)CCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000227433241 634542475 /nfs/dbraw/zinc/54/24/75/634542475.db2.gz HKPWMHUNBGWCML-ZYHUDNBSSA-N 2 0 225.336 0.291 20 0 BCADRP [NH3+]C1CC(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925729522 634543317 /nfs/dbraw/zinc/54/33/17/634543317.db2.gz KCXLXWKAKQRDRB-PZXCLMDMSA-N 3 0 221.348 0.310 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925832872 635475495 /nfs/dbraw/zinc/47/54/95/635475495.db2.gz QNOCYFJRLFIZKP-KNZXXDILSA-N 2 0 228.336 0.506 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000036192172 635494525 /nfs/dbraw/zinc/49/45/25/635494525.db2.gz CKNCNBJXUBKMNZ-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP CCS(=O)(=O)CC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000233832260 635544216 /nfs/dbraw/zinc/54/42/16/635544216.db2.gz MNCQDKISOHBASC-WDEREUQCSA-N 2 0 248.392 0.338 20 0 BCADRP CCC[C@@H](O)CC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000925857571 635549860 /nfs/dbraw/zinc/54/98/60/635549860.db2.gz MOEIVUVNLVJHGF-GXSJLCMTSA-N 2 0 200.326 0.735 20 0 BCADRP CCOCCOCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000925875187 635597179 /nfs/dbraw/zinc/59/71/79/635597179.db2.gz QEBAHMTZGPCMBL-NWDGAFQWSA-N 2 0 230.352 0.899 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000925875358 635597321 /nfs/dbraw/zinc/59/73/21/635597321.db2.gz RPYDSQRFODMXTF-SDDRHHMPSA-N 2 0 228.336 0.509 20 0 BCADRP C[C@@H](CNC(=O)NCCC(C)(C)[NH3+])[NH+](C)C ZINC000891940033 631567522 /nfs/dbraw/zinc/56/75/22/631567522.db2.gz PFULPIVIRLEYHC-VIFPVBQESA-N 2 0 230.356 0.363 20 0 BCADRP CN(C)c1cc[nH+]c(CNC(=O)C[NH+](C)C)c1 ZINC000927702590 635688729 /nfs/dbraw/zinc/68/87/29/635688729.db2.gz VJZZQDDZRPXZTP-UHFFFAOYSA-N 2 0 236.319 0.325 20 0 BCADRP C[NH+]1CCC(C[NH+]2CCC(O)CC2)CC1 ZINC000308815498 631665023 /nfs/dbraw/zinc/66/50/23/631665023.db2.gz UZURVMDYLSZEHR-UHFFFAOYSA-N 2 0 212.337 0.785 20 0 BCADRP COC[C@H](C)[NH2+][C@@H](CCC[NH3+])COC ZINC000234699797 631665321 /nfs/dbraw/zinc/66/53/21/631665321.db2.gz ASYJZTJAZXAKEY-UWVGGRQHSA-N 2 0 204.314 0.365 20 0 BCADRP CC[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000308871926 631699581 /nfs/dbraw/zinc/69/95/81/631699581.db2.gz SOVNNGKIXRGCRD-QWRGUYRKSA-N 2 0 218.341 0.048 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000308861925 631702235 /nfs/dbraw/zinc/70/22/35/631702235.db2.gz RRCJTSBPRPQLAD-SECBINFHSA-N 2 0 201.314 0.086 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000892101886 631729481 /nfs/dbraw/zinc/72/94/81/631729481.db2.gz FWCYEEMNPKRMKZ-SECBINFHSA-N 2 0 228.340 0.069 20 0 BCADRP CN(C)C(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000308941725 631744432 /nfs/dbraw/zinc/74/44/32/631744432.db2.gz VCAACWJKIWOYQU-UHFFFAOYSA-N 2 0 215.341 0.526 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000892171388 631752437 /nfs/dbraw/zinc/75/24/37/631752437.db2.gz XWCSLRWXLQNAQO-ZNSHCXBVSA-N 2 0 240.351 0.150 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000892171383 631752898 /nfs/dbraw/zinc/75/28/98/631752898.db2.gz XWCSLRWXLQNAQO-UKKRHICBSA-N 2 0 240.351 0.150 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000892171370 631753229 /nfs/dbraw/zinc/75/32/29/631753229.db2.gz XWCSLRWXLQNAQO-MMWGEVLESA-N 2 0 240.351 0.150 20 0 BCADRP CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001022713235 631811075 /nfs/dbraw/zinc/81/10/75/631811075.db2.gz IMWYFKIDEAGHCO-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000044646745 631819997 /nfs/dbraw/zinc/81/99/97/631819997.db2.gz MMSZGMVAMVSWIH-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP CC[NH2+]CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000308834508 631894479 /nfs/dbraw/zinc/89/44/79/631894479.db2.gz HPGZDLZJPCQOLN-UHFFFAOYSA-N 2 0 201.314 0.039 20 0 BCADRP C[N@H+](CCn1cncn1)C1CCC([NH3+])CC1 ZINC000309212186 631970397 /nfs/dbraw/zinc/97/03/97/631970397.db2.gz OGTMVULSWKBYSA-UHFFFAOYSA-N 2 0 223.324 0.480 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC)C1)[NH+](C)C ZINC000972353744 631971341 /nfs/dbraw/zinc/97/13/41/631971341.db2.gz HTKLNAIDIIXUAZ-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)NC ZINC000051919199 632012019 /nfs/dbraw/zinc/01/20/19/632012019.db2.gz MHGWBHNUEMSONU-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP CC1CC[NH+](CCNC(=[NH2+])NC2CC2)CC1 ZINC000052043181 632053102 /nfs/dbraw/zinc/05/31/02/632053102.db2.gz JTVYVQLHRUKFNB-UHFFFAOYSA-N 2 0 224.352 0.995 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NC(C)C)C1 ZINC000052042186 632053334 /nfs/dbraw/zinc/05/33/34/632053334.db2.gz SOEIMVHUHNHCQV-SNVBAGLBSA-N 2 0 212.341 0.851 20 0 BCADRP CCN(CC)C(=O)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000155887547 632119655 /nfs/dbraw/zinc/11/96/55/632119655.db2.gz UPGQKKHIQHKMPX-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)C[C@@H]1C[N@H+](C)CCN1CCC[NH3+] ZINC000108362562 635816568 /nfs/dbraw/zinc/81/65/68/635816568.db2.gz SSNSCKPAGRAVJM-GFCCVEGCSA-N 2 0 213.369 0.997 20 0 BCADRP Cc1cc(N2CC[NH+](CC3CC3)CC2)nc(N)[nH+]1 ZINC000052472595 632415371 /nfs/dbraw/zinc/41/53/71/632415371.db2.gz PWPOYMMHGRDPGS-UHFFFAOYSA-N 2 0 247.346 0.899 20 0 BCADRP C[N@H+](C[C@@H]1CC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000309515590 632435407 /nfs/dbraw/zinc/43/54/07/632435407.db2.gz YPUVFKNHZAUOJM-VOMCLLRMSA-N 3 0 211.353 0.798 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000130139526 632439280 /nfs/dbraw/zinc/43/92/80/632439280.db2.gz MNCNNPRXMOZKPN-QJPTWQEYSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)CC[NH2+]C(C)(C)C ZINC000130273858 632441731 /nfs/dbraw/zinc/44/17/31/632441731.db2.gz NPJCPZRYRWDJMQ-JTQLQIEISA-N 2 0 229.368 0.831 20 0 BCADRP C[C@@H](C(=O)NC(C)(C)C)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251551300 632552127 /nfs/dbraw/zinc/55/21/27/632552127.db2.gz BFWOSDOHVZBAHZ-OUAUKWLOSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253193146 632566957 /nfs/dbraw/zinc/56/69/57/632566957.db2.gz OHDKTMPFDNBLBX-OUAUKWLOSA-N 2 0 227.352 0.380 20 0 BCADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCOC1 ZINC000235268194 632599668 /nfs/dbraw/zinc/59/96/68/632599668.db2.gz IOIFFCAEVMVMMF-KKOKHZNYSA-N 2 0 212.337 0.857 20 0 BCADRP Cl/C=C/C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000308970706 632600432 /nfs/dbraw/zinc/60/04/32/632600432.db2.gz PEMGGVPPVYQXMI-VEPLAOFISA-N 2 0 229.755 0.718 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000089743287 632659036 /nfs/dbraw/zinc/65/90/36/632659036.db2.gz YOOMDHDSAXCHAO-RYUDHWBXSA-N 2 0 239.363 0.444 20 0 BCADRP CC(C)CNC(=[NH2+])NCCC[NH+](C)C ZINC000052041374 632780243 /nfs/dbraw/zinc/78/02/43/632780243.db2.gz JKUMAQXLDTZTKJ-UHFFFAOYSA-N 2 0 200.330 0.708 20 0 BCADRP CCCNC(=[NH2+])NCCCC[NH+](C)C ZINC000052044059 632781828 /nfs/dbraw/zinc/78/18/28/632781828.db2.gz ZAQCREFVLCZKQT-UHFFFAOYSA-N 2 0 200.330 0.852 20 0 BCADRP COCCNC(=[NH2+])NCCC[N@H+](C)C(C)C ZINC000066245415 632860763 /nfs/dbraw/zinc/86/07/63/632860763.db2.gz WGZXWZXPINYIQU-UHFFFAOYSA-N 2 0 230.356 0.267 20 0 BCADRP COCCNC(=[NH2+])NC[C@H](C)[NH+]1CCCC1 ZINC000066245310 632861239 /nfs/dbraw/zinc/86/12/39/632861239.db2.gz RJLGCQMYIITDHA-JTQLQIEISA-N 2 0 228.340 0.021 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892549489 632956081 /nfs/dbraw/zinc/95/60/81/632956081.db2.gz UFIQUWKVKVZHSI-ZRUFSTJUSA-N 2 0 240.351 0.116 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892548971 632957109 /nfs/dbraw/zinc/95/71/09/632957109.db2.gz LQOHSAPIIUHDQA-OUAUKWLOSA-N 2 0 240.351 0.117 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CCO[C@H](CO)C2)CC1 ZINC000309363467 632973640 /nfs/dbraw/zinc/97/36/40/632973640.db2.gz MVLPRKXOOPKUOY-LBPRGKRZSA-N 2 0 228.336 0.021 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892566315 632978157 /nfs/dbraw/zinc/97/81/57/632978157.db2.gz OTSVPSSKDGUSPB-GMTAPVOTSA-N 2 0 240.351 0.247 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892566314 632979125 /nfs/dbraw/zinc/97/91/25/632979125.db2.gz OTSVPSSKDGUSPB-DCAQKATOSA-N 2 0 240.351 0.247 20 0 BCADRP CC1(C)CN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[NH2+]1 ZINC000892565140 632981001 /nfs/dbraw/zinc/98/10/01/632981001.db2.gz AJBKUSAWMGWRQD-MGCOHNPYSA-N 2 0 240.351 0.117 20 0 BCADRP CCC[N@@H+](CC(=O)NC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309371793 632985798 /nfs/dbraw/zinc/98/57/98/632985798.db2.gz FJDWHEGEQDMLLA-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000309375581 632989631 /nfs/dbraw/zinc/98/96/31/632989631.db2.gz CNSYHEBXSOTQKM-WCBMZHEXSA-N 2 0 207.277 0.150 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC000309418940 633042020 /nfs/dbraw/zinc/04/20/20/633042020.db2.gz JSAARLMMWFNUFT-PWSUYJOCSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)[C@@H]1CCOC1 ZINC000166331968 633109743 /nfs/dbraw/zinc/10/97/43/633109743.db2.gz HRKBXDJNJBYHKQ-VXGBXAGGSA-N 2 0 241.379 0.424 20 0 BCADRP CN(C(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000178601314 633126991 /nfs/dbraw/zinc/12/69/91/633126991.db2.gz LWJBZHWVZQTPOA-DTWKUNHWSA-N 2 0 213.325 0.180 20 0 BCADRP C[N@H+](CCNC(=O)[C@]1(C)CCC[NH2+]C1)C1CC1 ZINC000062861461 633128394 /nfs/dbraw/zinc/12/83/94/633128394.db2.gz CMOPFQLSZLWRAR-CYBMUJFWSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)CC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000167912075 633136365 /nfs/dbraw/zinc/13/63/65/633136365.db2.gz PIAFTVOCMPAOCT-UHFFFAOYSA-N 2 0 235.331 0.366 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H]1CC[NH2+]C1 ZINC000393440895 633169924 /nfs/dbraw/zinc/16/99/24/633169924.db2.gz ZAHBJOKXHWTONL-DCAQKATOSA-N 2 0 215.316 0.228 20 0 BCADRP C[C@@H]1C[N@H+](CCN2CCOCC2)CC[C@@H]1C[NH3+] ZINC000122310747 633207627 /nfs/dbraw/zinc/20/76/27/633207627.db2.gz VICNZOXVPXNTNV-CHWSQXEVSA-N 2 0 241.379 0.235 20 0 BCADRP CC[NH2+]CC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000309734841 633233757 /nfs/dbraw/zinc/23/37/57/633233757.db2.gz CBIWBSHETQWPGF-LLVKDONJSA-N 2 0 215.341 0.476 20 0 BCADRP C[C@@H]1[C@H](NC(=O)[C@@H]2CCCCN2C)CC[N@@H+]1C ZINC000928444407 635948187 /nfs/dbraw/zinc/94/81/87/635948187.db2.gz ZAPKEAVCHOJOAS-UTUOFQBUSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1C ZINC000928453661 635996384 /nfs/dbraw/zinc/99/63/84/635996384.db2.gz YINPWHZUMJAXTA-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP OC1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000107981894 636031376 /nfs/dbraw/zinc/03/13/76/636031376.db2.gz AKDWRBUWHBDASS-NSHDSACASA-N 2 0 212.337 0.833 20 0 BCADRP C[N@@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC000928558209 636100306 /nfs/dbraw/zinc/10/03/06/636100306.db2.gz IVLMSSPSZYPIIZ-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928560187 636104248 /nfs/dbraw/zinc/10/42/48/636104248.db2.gz PVUIEULDHVUEQE-MNOVXSKESA-N 2 0 241.379 0.973 20 0 BCADRP Cc1cc(NC[C@H](C)C[NH+](C)C)nc(N)[nH+]1 ZINC000309806396 633763637 /nfs/dbraw/zinc/76/36/37/633763637.db2.gz XRRXIOCBDXYYDG-QMMMGPOBSA-N 2 0 223.324 0.977 20 0 BCADRP OCCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328444575 633765990 /nfs/dbraw/zinc/76/59/90/633765990.db2.gz NPIUFDDXUJRREA-JZRPKSSGSA-N 2 0 224.348 0.735 20 0 BCADRP C[C@H](CCCO)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328543079 633770177 /nfs/dbraw/zinc/77/01/77/633770177.db2.gz JZCREEJNCAWGKN-KQAFNVIJSA-N 2 0 224.348 0.733 20 0 BCADRP C[C@H](O)C[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328524651 633772001 /nfs/dbraw/zinc/77/20/01/633772001.db2.gz IQEWFFPEDNXQEI-UJPLBGJFSA-N 2 0 224.348 0.732 20 0 BCADRP C1CC1[N@@H+]1CC[C@@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000328509071 633773423 /nfs/dbraw/zinc/77/34/23/633773423.db2.gz ZTOGLUPRUVEGTC-YQHHGQFNSA-N 2 0 247.386 0.809 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328570402 633779931 /nfs/dbraw/zinc/77/99/31/633779931.db2.gz ROQLVSUIIVTNCU-BSCCGWMCSA-N 2 0 235.375 0.667 20 0 BCADRP C(C1CC1)[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000019933588 633804411 /nfs/dbraw/zinc/80/44/11/633804411.db2.gz BNSGZMQVILGTFU-CYBMUJFWSA-N 2 0 223.364 0.766 20 0 BCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001020028665 633806987 /nfs/dbraw/zinc/80/69/87/633806987.db2.gz GNSGIIHUSCGVEE-GMTAPVOTSA-N 2 0 243.326 0.287 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NCC[NH+]1CCCC1 ZINC000925509850 633848952 /nfs/dbraw/zinc/84/89/52/633848952.db2.gz RGFIMFQQVBZYBH-NSHDSACASA-N 2 0 211.353 0.812 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1CC[NH+](C2CC2)CC1 ZINC000309365865 633903114 /nfs/dbraw/zinc/90/31/14/633903114.db2.gz AJFKHXDUOOMFKR-SECBINFHSA-N 2 0 233.306 0.749 20 0 BCADRP COC[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309983010 634025075 /nfs/dbraw/zinc/02/50/75/634025075.db2.gz NLWVWGXHLGZBCF-CHWSQXEVSA-N 2 0 242.363 0.411 20 0 BCADRP CNC(=O)CCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925599568 634124186 /nfs/dbraw/zinc/12/41/86/634124186.db2.gz BVANOEVNFWYSFI-SECBINFHSA-N 2 0 213.325 0.243 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000925603241 634131701 /nfs/dbraw/zinc/13/17/01/634131701.db2.gz KFLUBVFXTYMTFL-VQXHTEKXSA-N 2 0 239.363 0.761 20 0 BCADRP C[NH+](C)C[C@@H](O)CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925608892 634144968 /nfs/dbraw/zinc/14/49/68/634144968.db2.gz LLOJKIIOBIQABE-NWDGAFQWSA-N 2 0 241.379 0.173 20 0 BCADRP C[NH+](C)CCOCCN[C@H]1CC[NH2+]C12CCC2 ZINC000925650574 634206759 /nfs/dbraw/zinc/20/67/59/634206759.db2.gz WFWLWGZMFQZAFT-LBPRGKRZSA-N 2 0 241.379 0.439 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925685987 634297536 /nfs/dbraw/zinc/29/75/36/634297536.db2.gz OZULCCKSVCDDAE-VLEAKVRGSA-N 2 0 226.320 0.260 20 0 BCADRP C[C@]1(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CCC(=O)N1 ZINC000925685454 634298460 /nfs/dbraw/zinc/29/84/60/634298460.db2.gz NKCVFBUGDZPUEO-JFGNBEQYSA-N 2 0 237.347 0.515 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925685139 634299748 /nfs/dbraw/zinc/29/97/48/634299748.db2.gz GMIMUFXLCGRTPU-NOOOWODRSA-N 2 0 242.363 0.896 20 0 BCADRP CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001026734586 634311623 /nfs/dbraw/zinc/31/16/23/634311623.db2.gz PYHLVKBDACWBHE-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000925690500 634314291 /nfs/dbraw/zinc/31/42/91/634314291.db2.gz GODWPFKIVPKZPZ-SZQBSXBZSA-N 3 0 223.364 0.844 20 0 BCADRP C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@@H]1CCC[NH2+]C1 ZINC000925691856 634318798 /nfs/dbraw/zinc/31/87/98/634318798.db2.gz KGJOVAUGLYPZDZ-QQOHENMQSA-N 2 0 235.375 0.572 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CCC[NH2+]C1)[NH2+]2 ZINC000925691935 634323352 /nfs/dbraw/zinc/32/33/52/634323352.db2.gz NQQPCDDRZNTCEB-KSSYENDESA-N 2 0 223.364 0.857 20 0 BCADRP [NH3+][C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]2)C12CCC2 ZINC000925693088 634326663 /nfs/dbraw/zinc/32/66/63/634326663.db2.gz OIXJTJJMOSVNHA-GMTAPVOTSA-N 2 0 209.337 0.598 20 0 BCADRP [NH3+][C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000925693087 634327969 /nfs/dbraw/zinc/32/79/69/634327969.db2.gz OIXJTJJMOSVNHA-AXFHLTTASA-N 2 0 209.337 0.598 20 0 BCADRP CC(C)[C@H]([NH3+])CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925693630 634329452 /nfs/dbraw/zinc/32/94/52/634329452.db2.gz PZZHVNFHAFGYKX-MJYBNVITSA-N 2 0 223.364 0.556 20 0 BCADRP C[C@@H]1NCCC[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000925694754 634336679 /nfs/dbraw/zinc/33/66/79/634336679.db2.gz SPNWVOOVSGOZMH-QJPTWQEYSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H]1NCCC[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000925694759 634337091 /nfs/dbraw/zinc/33/70/91/634337091.db2.gz SPNWVOOVSGOZMH-TUAOUCFPSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H]1NCCC[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000925694755 634338237 /nfs/dbraw/zinc/33/82/37/634338237.db2.gz SPNWVOOVSGOZMH-SDDRHHMPSA-N 2 0 211.353 0.716 20 0 BCADRP [NH3+][C@@H](CN[C@@H]1C[NH2+]CCOC1)c1ccccc1 ZINC000925694790 634340982 /nfs/dbraw/zinc/34/09/82/634340982.db2.gz TVOOLAZWZYEFLQ-OLZOCXBDSA-N 2 0 235.331 0.264 20 0 BCADRP CC(C)C[C@H](C[NH3+])N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925694797 634341014 /nfs/dbraw/zinc/34/10/14/634341014.db2.gz TXVRFBVAFJBRMY-GMDXDWKASA-N 2 0 237.391 0.946 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000925695221 634345421 /nfs/dbraw/zinc/34/54/21/634345421.db2.gz UNXYDMDIEMDZMO-WDEREUQCSA-N 3 0 211.353 0.716 20 0 BCADRP [NH3+]C[C@H](N[C@H]1C[NH2+]CCOC1)C1CCCCC1 ZINC000925696186 634351886 /nfs/dbraw/zinc/35/18/86/634351886.db2.gz YAVMAXJPSJCGJE-STQMWFEESA-N 2 0 241.379 0.472 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925696102 634352248 /nfs/dbraw/zinc/35/22/48/634352248.db2.gz ZISSUDMIYBKXAV-MBYGNEARSA-N 2 0 223.364 1.000 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925696987 634357636 /nfs/dbraw/zinc/35/76/36/634357636.db2.gz CRKUFFKMWDHSAJ-NOOOWODRSA-N 2 0 223.364 0.844 20 0 BCADRP C[C@H](C[NH3+])CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925696975 634358236 /nfs/dbraw/zinc/35/82/36/634358236.db2.gz CJQRZBXWKBEWPM-WISYIIOYSA-N 2 0 225.380 0.947 20 0 BCADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ncc[nH]1 ZINC000925697342 634360892 /nfs/dbraw/zinc/36/08/92/634360892.db2.gz DTYAHIRFVVYIBO-SECBINFHSA-N 2 0 206.293 0.980 20 0 BCADRP CC[NH2+][C@H](C)CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925697988 634362663 /nfs/dbraw/zinc/36/26/63/634362663.db2.gz BSEDZOKWZQWDAC-JIMTYQMOSA-N 2 0 223.364 0.570 20 0 BCADRP CC[NH2+][C@H](C)CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925697987 634362960 /nfs/dbraw/zinc/36/29/60/634362960.db2.gz BSEDZOKWZQWDAC-HDLKOFKZSA-N 2 0 223.364 0.570 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]C1(C)C ZINC000925699262 634366261 /nfs/dbraw/zinc/36/62/61/634366261.db2.gz JTGIGXQTYQKVLY-GMTAPVOTSA-N 2 0 211.353 0.715 20 0 BCADRP C(N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C1C[NH2+]C1 ZINC000925699331 634367079 /nfs/dbraw/zinc/36/70/79/634367079.db2.gz ODLKXBOCVIUWED-UONOGXRCSA-N 2 0 237.391 0.964 20 0 BCADRP [NH3+][C@@H]1C[C@H](NC[C@@H]2CC[NH2+]C2)C12CCC2 ZINC000925700077 634369216 /nfs/dbraw/zinc/36/92/16/634369216.db2.gz RILVFUJRXQKINY-MXWKQRLJSA-N 2 0 209.337 0.455 20 0 BCADRP COCCC[NH2+]C1CCN(CC[NH3+])CC1 ZINC000259119340 635245490 /nfs/dbraw/zinc/24/54/90/635245490.db2.gz BZGJKROXNRCYLB-UHFFFAOYSA-N 2 0 215.341 0.036 20 0 BCADRP [NH3+]CCN1CCC([NH2+]C2CCCC2)CC1 ZINC000259223101 635252756 /nfs/dbraw/zinc/25/27/56/635252756.db2.gz KKPIPTFCBWOIFP-UHFFFAOYSA-N 2 0 211.353 0.942 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925787082 635307127 /nfs/dbraw/zinc/30/71/27/635307127.db2.gz WGFQNSNDCUDQJP-NXQJVVEESA-N 2 0 209.337 0.467 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000925791864 635321816 /nfs/dbraw/zinc/32/18/16/635321816.db2.gz SQEDZWAODBGSGV-VOAKCMCISA-N 3 0 225.380 0.914 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000925791486 635321625 /nfs/dbraw/zinc/32/16/25/635321625.db2.gz QWZLUYVVQQBSHP-UHXUPSOCSA-N 2 0 237.391 0.914 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000925798886 635338589 /nfs/dbraw/zinc/33/85/89/635338589.db2.gz XHETYROXZOKWPT-KKOKHZNYSA-N 3 0 211.353 0.701 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000925798890 635340452 /nfs/dbraw/zinc/34/04/52/635340452.db2.gz XHETYROXZOKWPT-WYUUTHIRSA-N 3 0 211.353 0.701 20 0 BCADRP Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])CC2 ZINC000925893491 635620419 /nfs/dbraw/zinc/62/04/19/635620419.db2.gz OOUQPCUCZPKVNZ-GMTAPVOTSA-N 2 0 249.362 0.389 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335626087 635886001 /nfs/dbraw/zinc/88/60/01/635886001.db2.gz XOETWSDXJZOUGA-CHWSQXEVSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H](C[NH2+]CC1CC[NH+](C)CC1)N(C)C ZINC000054243370 636242624 /nfs/dbraw/zinc/24/26/24/636242624.db2.gz KCDIIBFCECISEQ-LLVKDONJSA-N 3 0 213.369 0.868 20 0 BCADRP C[C@@H](CC(=O)N(C)[C@@H](C)C[NH3+])C1CC[NH2+]CC1 ZINC000237294481 636308703 /nfs/dbraw/zinc/30/87/03/636308703.db2.gz WGLHUWXQKPKEGL-QWRGUYRKSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@H](C)C[NH2+]1 ZINC000870912509 636382278 /nfs/dbraw/zinc/38/22/78/636382278.db2.gz GYQLYPYOHXQHKN-YFVNTRNASA-N 2 0 237.347 0.323 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000237540836 636503559 /nfs/dbraw/zinc/50/35/59/636503559.db2.gz NYJPONZHXAHPBW-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH2+]CCNC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000418316284 636541268 /nfs/dbraw/zinc/54/12/68/636541268.db2.gz JMCZHWQSBHGWJY-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP C[C@H]1OCC[C@H]1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154694 636573421 /nfs/dbraw/zinc/57/34/21/636573421.db2.gz WHDKSXOFYGADKI-MROQNXINSA-N 2 0 224.348 0.953 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000323014942 636888248 /nfs/dbraw/zinc/88/82/48/636888248.db2.gz IJFYXFYNIACYGG-YEJSDXFRSA-N 2 0 239.363 0.726 20 0 BCADRP CON1CCC([NH2+][C@H](C)CC[NH+](C)C)CC1 ZINC000323081655 636896302 /nfs/dbraw/zinc/89/63/02/636896302.db2.gz UIVFHXBBTBRRKA-LLVKDONJSA-N 2 0 229.368 0.942 20 0 BCADRP CN1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCC1=O ZINC000089146597 636904469 /nfs/dbraw/zinc/90/44/69/636904469.db2.gz SWFMGFZMEUDIFH-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)C(=O)NCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000089140045 636905022 /nfs/dbraw/zinc/90/50/22/636905022.db2.gz CGYHBPLYAIUEQA-RYUDHWBXSA-N 2 0 241.379 0.866 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C[C@H]3C[NH2+]CCO3)CC[C@@H]21 ZINC000866704762 636933699 /nfs/dbraw/zinc/93/36/99/636933699.db2.gz XKZFLEQCCMCGMT-UPJWGTAASA-N 2 0 239.363 0.001 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C[C@@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000866704750 636933778 /nfs/dbraw/zinc/93/37/78/636933778.db2.gz XKZFLEQCCMCGMT-FRRDWIJNSA-N 2 0 239.363 0.001 20 0 BCADRP CCO[C@H](C[NH2+][C@H]1COCC1(C)C)CN(C)C ZINC000926964419 636978705 /nfs/dbraw/zinc/97/87/05/636978705.db2.gz RPVACPOHFLXHTK-NEPJUHHUSA-N 2 0 244.379 0.968 20 0 BCADRP C(C[NH2+]C1CC1)CN1CC[NH+](C2CC2)CC1 ZINC000042491042 637273355 /nfs/dbraw/zinc/27/33/55/637273355.db2.gz ZYXGWCBHVNLGFR-UHFFFAOYSA-N 2 0 223.364 0.909 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2(CO)COC2)C1 ZINC000902363478 637298299 /nfs/dbraw/zinc/29/82/99/637298299.db2.gz VKQWQIPFCSRJSY-NSHDSACASA-N 2 0 242.363 0.363 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]([NH3+])C[C@H]1C ZINC000903461624 637361790 /nfs/dbraw/zinc/36/17/90/637361790.db2.gz WHFKYBWBHPLPQF-WYUUTHIRSA-N 2 0 211.353 0.654 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2C[C@H]1CCC[NH2+]1 ZINC000903463426 637364973 /nfs/dbraw/zinc/36/49/73/637364973.db2.gz ASONUIDUDROAAL-OTTFEQOBSA-N 2 0 223.364 0.942 20 0 BCADRP [NH3+][C@H]1CCCN(C[C@H]2C[C@]23CCOC3)C1 ZINC000903551322 637372341 /nfs/dbraw/zinc/37/23/41/637372341.db2.gz FHGVDZOGHXMAHV-WOPDTQHZSA-N 2 0 210.321 0.836 20 0 BCADRP OCC[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903722809 637379711 /nfs/dbraw/zinc/37/97/11/637379711.db2.gz DNOMIDBNHDILNZ-STQMWFEESA-N 2 0 240.347 0.212 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cn(C)nn2)CC[C@H]1C[NH3+] ZINC000903788271 637381132 /nfs/dbraw/zinc/38/11/32/637381132.db2.gz HIKVHDMTZOSVSU-ZJUUUORDSA-N 2 0 223.324 0.232 20 0 BCADRP CCn1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)nn1 ZINC000903788862 637383650 /nfs/dbraw/zinc/38/36/50/637383650.db2.gz RTFQRLXYJABESV-GHMZBOCLSA-N 2 0 237.351 0.715 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1NC[C@@H]([NH3+])CC(F)F ZINC000904462269 637407369 /nfs/dbraw/zinc/40/73/69/637407369.db2.gz SMRXLMAWZFXPDS-YUMQZZPRSA-N 2 0 221.295 0.557 20 0 BCADRP [NH3+]C1(CNCc2cccc3c2CC[NH2+]C3)CC1 ZINC000904444859 637412546 /nfs/dbraw/zinc/41/25/46/637412546.db2.gz TUUMWZALAANDTR-UHFFFAOYSA-N 2 0 231.343 0.913 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1NC[C@]1(C)CC[NH2+]C1 ZINC000904461196 637421539 /nfs/dbraw/zinc/42/15/39/637421539.db2.gz GRVRWKCWQJKWPA-CMPLNLGQSA-N 2 0 211.353 0.574 20 0 BCADRP CC[N@H+](CCC(=O)NC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000904469466 637422583 /nfs/dbraw/zinc/42/25/83/637422583.db2.gz MZJJPNHYOCZPJZ-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1C[C@@H](C[NH2+][C@@]2(C)CCNC2=O)CC[NH2+]1 ZINC000904469976 637423814 /nfs/dbraw/zinc/42/38/14/637423814.db2.gz SSJZJTMVGZXEDS-SCVCMEIPSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2COC[C@@H]2C2CC2)C1 ZINC000904477306 637428210 /nfs/dbraw/zinc/42/82/10/637428210.db2.gz TZEIPIRXIITETQ-SASUGWTJSA-N 2 0 210.321 0.738 20 0 BCADRP [NH3+]CC1CC([NH2+][C@@H]2COC[C@H]2C2CC2)C1 ZINC000904476767 637428693 /nfs/dbraw/zinc/42/86/93/637428693.db2.gz RBVUABRHXUNGMZ-YRVPGANGSA-N 2 0 210.321 0.738 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000904926607 637532133 /nfs/dbraw/zinc/53/21/33/637532133.db2.gz VWJKXFLWKMQTIM-ZYHUDNBSSA-N 2 0 229.368 0.994 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000904931948 637533521 /nfs/dbraw/zinc/53/35/21/637533521.db2.gz RKCXHPMQYPKXLA-SKDRFNHKSA-N 2 0 227.352 0.761 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000904931574 637533682 /nfs/dbraw/zinc/53/36/82/637533682.db2.gz LPBSTFJZJWEFIJ-LOWVWBTDSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000905049510 637567374 /nfs/dbraw/zinc/56/73/74/637567374.db2.gz CSWDAQVBWWDHAV-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC000905026948 637573982 /nfs/dbraw/zinc/57/39/82/637573982.db2.gz OVIAYFJMKUBHOJ-LBPRGKRZSA-N 2 0 242.363 0.336 20 0 BCADRP CC(C)[NH2+]Cc1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000905058162 637594407 /nfs/dbraw/zinc/59/44/07/637594407.db2.gz FJEHATPQHHCIDV-LLVKDONJSA-N 2 0 223.324 0.701 20 0 BCADRP C[C@H](C[NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000905312896 637741381 /nfs/dbraw/zinc/74/13/81/637741381.db2.gz GGNZKFHBNPFXTC-MRVPVSSYSA-N 2 0 224.308 0.674 20 0 BCADRP C[C@@H]([NH3+])CCc1nc(CC2CC[NH2+]CC2)no1 ZINC000905315713 637744795 /nfs/dbraw/zinc/74/47/95/637744795.db2.gz XLZCHAUGWYMGSB-SECBINFHSA-N 2 0 238.335 0.892 20 0 BCADRP C1C[NH2+][C@@H](c2noc([C@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)C1 ZINC000905304892 637762229 /nfs/dbraw/zinc/76/22/29/637762229.db2.gz NPZXKHSGHBIEQJ-RGOKHQFPSA-N 2 0 234.303 0.817 20 0 BCADRP C[NH2+]CCCCc1nc(C[C@H](C)[NH2+]C)no1 ZINC000905305643 637764426 /nfs/dbraw/zinc/76/44/26/637764426.db2.gz WYBUGPOYEWZFDZ-VIFPVBQESA-N 2 0 226.324 0.762 20 0 BCADRP CCC[C@H](O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000905590917 637856843 /nfs/dbraw/zinc/85/68/43/637856843.db2.gz UEIINWIUNZCQIE-QWHCGFSZSA-N 2 0 244.379 0.584 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001074885715 711444590 /nfs/dbraw/zinc/44/45/90/711444590.db2.gz SVKLKMHFMHJERS-SRVKXCTJSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H]1[C@H](NC(=S)NCC[NH+](C)C)CC[N@@H+]1C ZINC000905647634 637881981 /nfs/dbraw/zinc/88/19/81/637881981.db2.gz KPRJWYSWZNZELS-VHSXEESVSA-N 2 0 244.408 0.105 20 0 BCADRP CN(C[C@H](O)C[NH2+]C1CC(CCO)C1)C1CC1 ZINC000905672111 637885026 /nfs/dbraw/zinc/88/50/26/637885026.db2.gz UPYPXQUMROWADC-GCZXYKMCSA-N 2 0 242.363 0.192 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@](C)(O)C(F)F)C1 ZINC000905963664 637983632 /nfs/dbraw/zinc/98/36/32/637983632.db2.gz ODOZLPDGYMFQFM-NGZCFLSTSA-N 2 0 236.306 0.932 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCC[NH2+]C(C)(C)C ZINC000906086129 638045019 /nfs/dbraw/zinc/04/50/19/638045019.db2.gz XTPPGQIEJHNXPZ-SNVBAGLBSA-N 2 0 229.368 0.864 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000906092206 638047710 /nfs/dbraw/zinc/04/77/10/638047710.db2.gz UYIOECQVOJPVTM-QJPTWQEYSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000906092195 638048461 /nfs/dbraw/zinc/04/84/61/638048461.db2.gz UPIPMFDCNKRXJO-XHNCKOQMSA-N 2 0 201.314 0.212 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000906091388 638048961 /nfs/dbraw/zinc/04/89/61/638048961.db2.gz FBNOQJRCJYOQOT-HBNTYKKESA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000906091524 638049577 /nfs/dbraw/zinc/04/95/77/638049577.db2.gz IMEJNBYVFHPDPJ-OUAUKWLOSA-N 2 0 227.352 0.556 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000906091390 638049813 /nfs/dbraw/zinc/04/98/13/638049813.db2.gz FBNOQJRCJYOQOT-MXWKQRLJSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000906092311 638050675 /nfs/dbraw/zinc/05/06/75/638050675.db2.gz KURLBDPVAZLQPB-QJPTWQEYSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000906092265 638050981 /nfs/dbraw/zinc/05/09/81/638050981.db2.gz XPHQHITVLCMUMU-GRYCIOLGSA-N 2 0 241.379 0.803 20 0 BCADRP CN(C(=O)[C@H]1[NH2+]CC1(C)C)c1cc(C[NH3+])ccn1 ZINC000906226539 638119347 /nfs/dbraw/zinc/11/93/47/638119347.db2.gz DIHDSNVAEQIJEZ-LLVKDONJSA-N 2 0 248.330 0.501 20 0 BCADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2-n2cncn2)C1 ZINC000906508659 638181968 /nfs/dbraw/zinc/18/19/68/638181968.db2.gz SUKIWVQGMVDDAN-HAQNSBGRSA-N 2 0 243.314 0.847 20 0 BCADRP [NH3+]C1CC(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000906510409 638184131 /nfs/dbraw/zinc/18/41/31/638184131.db2.gz IBJBOIAAYDHPEH-KAKVVRBNSA-N 2 0 223.364 0.986 20 0 BCADRP [NH3+][C@H]1C[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000906516995 638186725 /nfs/dbraw/zinc/18/67/25/638186725.db2.gz BNQCEZDKSIGFES-YCNMSENWSA-N 3 0 209.337 0.596 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)[NH+](C)C ZINC000908349727 638660095 /nfs/dbraw/zinc/66/00/95/638660095.db2.gz SSPBDLUECQIRPY-SDDRHHMPSA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C)[NH+](C)C ZINC000908414512 638698793 /nfs/dbraw/zinc/69/87/93/638698793.db2.gz QARFTAWPPWQJPS-GRYCIOLGSA-N 2 0 241.379 0.878 20 0 BCADRP COC[C@@H](O)C[N@H+](C)CCCCCC[NH3+] ZINC000385889778 711466590 /nfs/dbraw/zinc/46/65/90/711466590.db2.gz YXPBFIVQAYRQJZ-NSHDSACASA-N 2 0 218.341 0.445 20 0 BCADRP C[NH2+][C@H]1CCN(c2ccnc(N(C)C)n2)C1 ZINC000150251553 639466238 /nfs/dbraw/zinc/46/62/38/639466238.db2.gz IKDZVJROXIFXNK-VIFPVBQESA-N 2 0 221.308 0.341 20 0 BCADRP CC(=O)NCCC[NH2+]CC1CC[NH+](C)CC1 ZINC000383468791 711472161 /nfs/dbraw/zinc/47/21/61/711472161.db2.gz KBIVNVUOKWSDCZ-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N1CCC([NH3+])CC1 ZINC000911619935 639683157 /nfs/dbraw/zinc/68/31/57/639683157.db2.gz MSSZNPDOMGHHMK-NSHDSACASA-N 2 0 227.352 0.700 20 0 BCADRP [NH3+]C1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000911620705 639683174 /nfs/dbraw/zinc/68/31/74/639683174.db2.gz SARYIWFEMRDDGR-MNOVXSKESA-N 2 0 225.336 0.454 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)NC1CC[NH2+]CC1 ZINC000911628271 639688387 /nfs/dbraw/zinc/68/83/87/639688387.db2.gz LIBWIBDUYJZTLL-SNVBAGLBSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]CCNC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 ZINC000911629608 639689624 /nfs/dbraw/zinc/68/96/24/639689624.db2.gz KESYKGHWAVJRBM-GMTAPVOTSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+]CCNC(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC000911630192 639690147 /nfs/dbraw/zinc/69/01/47/639690147.db2.gz QAQBFKKXCPLOTL-JTQLQIEISA-N 2 0 213.325 0.359 20 0 BCADRP [NH3+]CCNC(=O)[C@H](C[NH3+])C1CCCCCC1 ZINC000911630369 639691599 /nfs/dbraw/zinc/69/15/99/639691599.db2.gz VQSVCWSPDAERBU-LLVKDONJSA-N 2 0 227.352 0.607 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000911671720 639696150 /nfs/dbraw/zinc/69/61/50/639696150.db2.gz AOCFJYVYLVUOSC-JQWIXIFHSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC000911670369 639696757 /nfs/dbraw/zinc/69/67/57/639696757.db2.gz KNPLWYDEBWSCFV-ZYHUDNBSSA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NCC1CC[NH2+]CC1 ZINC000911671927 639697372 /nfs/dbraw/zinc/69/73/72/639697372.db2.gz FJFJBKYBKPNLQQ-NSHDSACASA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N1CCC(C[NH3+])CC1 ZINC000911672392 639699009 /nfs/dbraw/zinc/69/90/09/639699009.db2.gz DKBHUHLJAZEXRJ-LBPRGKRZSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@@H]1[NH2+]CCn2c(C(=O)NCCC[NH3+])ccc21 ZINC000911647655 639701947 /nfs/dbraw/zinc/70/19/47/639701947.db2.gz GVIFWEBXJYNFSB-VIFPVBQESA-N 2 0 236.319 0.231 20 0 BCADRP [NH3+]CCCNC(=O)[C@H](C[NH3+])C1CCCCCC1 ZINC000911647987 639702424 /nfs/dbraw/zinc/70/24/24/639702424.db2.gz LMRVCRMZOMDWOT-GFCCVEGCSA-N 2 0 241.379 0.997 20 0 BCADRP C[C@H]1[NH2+]CCn2c(C(=O)N3CC[NH2+]CC3)ccc21 ZINC000911647294 639702485 /nfs/dbraw/zinc/70/24/85/639702485.db2.gz ZDFYVLINVRSBFF-SNVBAGLBSA-N 2 0 248.330 0.198 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)C23CC(C2)C[NH2+]3)c1 ZINC000911648498 639705100 /nfs/dbraw/zinc/70/51/00/639705100.db2.gz KVOHLMHXQZUVAN-UHFFFAOYSA-N 2 0 231.299 0.836 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000911652792 639709014 /nfs/dbraw/zinc/70/90/14/639709014.db2.gz YXPGXKIBSSUSHE-BDAKNGLRSA-N 2 0 213.325 0.310 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@H]([NH3+])CC(C)C ZINC000911676150 639718503 /nfs/dbraw/zinc/71/85/03/639718503.db2.gz IHCXTZCUKFUJIQ-SNVBAGLBSA-N 2 0 215.341 0.476 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@@H]([NH3+])CCSC ZINC000911677973 639719492 /nfs/dbraw/zinc/71/94/92/639719492.db2.gz WMZHODCYFCKNSM-VIFPVBQESA-N 2 0 233.381 0.183 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])C1 ZINC000911686222 639725213 /nfs/dbraw/zinc/72/52/13/639725213.db2.gz YRYGAVKWGYWSJK-WNYYMSAVSA-N 2 0 239.363 0.713 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911688718 639729267 /nfs/dbraw/zinc/72/92/67/639729267.db2.gz UQWGGJAKKJXOSW-HBNTYKKESA-N 2 0 225.336 0.243 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911688367 639729352 /nfs/dbraw/zinc/72/93/52/639729352.db2.gz NYWRHWIVYJNTET-PWSUYJOCSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+]CCCCC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911713415 639739230 /nfs/dbraw/zinc/73/92/30/639739230.db2.gz HHZUCBUZQKNSQU-NSHDSACASA-N 2 0 227.352 0.634 20 0 BCADRP C[C@@H]1C[C@H](C(=O)NC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000911714352 639739361 /nfs/dbraw/zinc/73/93/61/639739361.db2.gz PIMNKIHNTQRKHW-IJLUTSLNSA-N 2 0 239.363 0.633 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911712833 639739805 /nfs/dbraw/zinc/73/98/05/639739805.db2.gz DTHKKDDJFQOUJQ-USZNOCQGSA-N 2 0 237.347 0.100 20 0 BCADRP [NH3+]C1CC(CC(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000911713391 639740571 /nfs/dbraw/zinc/74/05/71/639740571.db2.gz GTJOORQBNXTMHZ-VQXHTEKXSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H](NC(=O)CC1CC([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000911721216 639742121 /nfs/dbraw/zinc/74/21/21/639742121.db2.gz UJPYWAUBUTWVET-QTAHKJALSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH2+]CCCCC(=O)N1CC[NH2+]C[C@H]1C ZINC000911722055 639744534 /nfs/dbraw/zinc/74/45/34/639744534.db2.gz OSWJCLFIPRMWIT-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[C@@H]1C[C@H](C(=O)N2CCCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC000911722048 639744832 /nfs/dbraw/zinc/74/48/32/639744832.db2.gz OOWDGFOOUVHKNZ-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911723170 639747889 /nfs/dbraw/zinc/74/78/89/639747889.db2.gz ZOYFARXKVNQOJW-ZIQFBCGOSA-N 2 0 237.347 0.310 20 0 BCADRP [NH3+][C@@H]1C[C@H](C(=O)NC2CCC([NH3+])CC2)[C@H]2C[C@H]21 ZINC000911724211 639748977 /nfs/dbraw/zinc/74/89/77/639748977.db2.gz BVNVNUKWRICBLD-OABJDHSDSA-N 2 0 237.347 0.356 20 0 BCADRP C[C@@H]1C[C@H](C(=O)N2CC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC000911725034 639751160 /nfs/dbraw/zinc/75/11/60/639751160.db2.gz POZNQIHPKRHCTG-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)N1CC[NH2+]C[C@H]1C ZINC000911725294 639751620 /nfs/dbraw/zinc/75/16/20/639751620.db2.gz SKBJYMSMCBSWBR-ZJUUUORDSA-N 2 0 245.392 0.277 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000911725293 639752143 /nfs/dbraw/zinc/75/21/43/639752143.db2.gz SKBJYMSMCBSWBR-UWVGGRQHSA-N 2 0 245.392 0.277 20 0 BCADRP [NH3+]C1CCC(NC(=O)C2=CCC[NH2+]CC2)CC1 ZINC000911727767 639753603 /nfs/dbraw/zinc/75/36/03/639753603.db2.gz OXPFIPIDMBPKTN-UHFFFAOYSA-N 2 0 237.347 0.682 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@]23C[C@H]2CCC[NH2+]3)CC1 ZINC000911726648 639753963 /nfs/dbraw/zinc/75/39/63/639753963.db2.gz FNSSRQPLEWBYAU-PGHLRGPGSA-N 2 0 237.347 0.515 20 0 BCADRP C[NH2+]C1CC(C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000911703681 639758239 /nfs/dbraw/zinc/75/82/39/639758239.db2.gz JODUSTUQKHFAGJ-KPPDAEKUSA-N 2 0 225.336 0.100 20 0 BCADRP CC(C)(C[NH3+])CC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000911706166 639760164 /nfs/dbraw/zinc/76/01/64/639760164.db2.gz FCOWASNNESYXRL-JTQLQIEISA-N 2 0 227.352 0.559 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C2([NH2+]C)CCC2)C1 ZINC000911736817 639761412 /nfs/dbraw/zinc/76/14/12/639761412.db2.gz OMPLDTWJCCXXPK-SNVBAGLBSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C2=CCC[NH2+]CC2)C1 ZINC000911736287 639762102 /nfs/dbraw/zinc/76/21/02/639762102.db2.gz KJOKAOFLPDSBBG-LBPRGKRZSA-N 2 0 237.347 0.507 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])C(=O)N1CC[C@H]([NH3+])C1 ZINC000911738108 639765366 /nfs/dbraw/zinc/76/53/66/639765366.db2.gz GPZJXGHVSVPXPQ-CMPLNLGQSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C1=CCC[NH2+]CC1 ZINC000911740257 639766543 /nfs/dbraw/zinc/76/65/43/639766543.db2.gz IBZHDGPPIFNLPT-VIFPVBQESA-N 2 0 211.309 0.150 20 0 BCADRP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000911740600 639768279 /nfs/dbraw/zinc/76/82/79/639768279.db2.gz MPJXNTGMLBSXBW-QWRGUYRKSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911741453 639769297 /nfs/dbraw/zinc/76/92/97/639769297.db2.gz SIVRQIFRWUQZDR-DTWKUNHWSA-N 2 0 215.341 0.603 20 0 BCADRP C[NH2+]CCNC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC000911748508 639772973 /nfs/dbraw/zinc/77/29/73/639772973.db2.gz NWUAVYWBPALOEA-LLVKDONJSA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC000911748024 639773603 /nfs/dbraw/zinc/77/36/03/639773603.db2.gz IAXKMAFWLPNVHO-GRYCIOLGSA-N 2 0 239.363 0.490 20 0 BCADRP O=C(NCC[NH2+]C1CC1)C1=CCC[NH2+]CC1 ZINC000911751879 639779063 /nfs/dbraw/zinc/77/90/63/639779063.db2.gz FEBVVODETFPEKD-UHFFFAOYSA-N 2 0 223.320 0.164 20 0 BCADRP [NH3+]Cc1ccccc1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911752329 639779965 /nfs/dbraw/zinc/77/99/65/639779965.db2.gz VDNUZGIAVRKVJD-NSHDSACASA-N 2 0 233.315 0.627 20 0 BCADRP [NH3+]Cc1ccccc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000911730918 639787421 /nfs/dbraw/zinc/78/74/21/639787421.db2.gz QOKIPWMMBSBMRU-JTQLQIEISA-N 2 0 219.288 0.319 20 0 BCADRP [NH3+][C@@H](CNC(=O)CC1CC([NH3+])C1)c1ccccc1 ZINC000911762797 639789853 /nfs/dbraw/zinc/78/98/53/639789853.db2.gz CSQANTQVWBPUHM-GDKBPFBDSA-N 2 0 247.342 0.930 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911764226 639790981 /nfs/dbraw/zinc/79/09/81/639790981.db2.gz RIGHUJZYHWYCFQ-NXEZZACHSA-N 2 0 213.325 0.086 20 0 BCADRP C[NH2+]C1CC(C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000911764348 639791306 /nfs/dbraw/zinc/79/13/06/639791306.db2.gz MLXRHOPNPOLJOE-BPCQOVAHSA-N 2 0 247.342 0.801 20 0 BCADRP CCCN(C(=O)[C@@H]1C[C@@H]1C[NH3+])[C@@H]1CC[NH2+]C1 ZINC000911766474 639791375 /nfs/dbraw/zinc/79/13/75/639791375.db2.gz DXHLTOXDKIUYBM-GMTAPVOTSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)CC(C)(C)C[NH3+] ZINC000911763519 639791432 /nfs/dbraw/zinc/79/14/32/639791432.db2.gz IXJGFFNEASBVSD-UHFFFAOYSA-N 2 0 229.368 0.866 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000911773089 639795463 /nfs/dbraw/zinc/79/54/63/639795463.db2.gz AKIGAAKHYAYZSL-TUAOUCFPSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)C1 ZINC000911775488 639795480 /nfs/dbraw/zinc/79/54/80/639795480.db2.gz UDYBIXOPRYOQFL-GVXVVHGQSA-N 2 0 237.347 0.054 20 0 BCADRP C[NH2+]C1CCN(C(=O)CC(C)(C)C[NH3+])CC1 ZINC000911787496 639805279 /nfs/dbraw/zinc/80/52/79/639805279.db2.gz SBECDVRDUQAPHU-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911790129 639807898 /nfs/dbraw/zinc/80/78/98/639807898.db2.gz ZVVKVSUEBFMAQZ-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1CN(C(=O)C2=CCC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000911796601 639808618 /nfs/dbraw/zinc/80/86/18/639808618.db2.gz NPSHXORPGLVPTE-PHIMTYICSA-N 2 0 237.347 0.505 20 0 BCADRP C[C@H](O)[C@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000930600740 639816562 /nfs/dbraw/zinc/81/65/62/639816562.db2.gz AOXFBZVVUUFICA-YNEHKIRRSA-N 2 0 242.363 0.146 20 0 BCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)C[C@@H](C)[NH2+]1 ZINC000911795025 639818842 /nfs/dbraw/zinc/81/88/42/639818842.db2.gz GXVHWKBZAFHNIE-NXEZZACHSA-N 2 0 225.336 0.289 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)C1CC1 ZINC000911798981 639820269 /nfs/dbraw/zinc/82/02/69/639820269.db2.gz DFMRLLFTKDISLZ-BLFANLJRSA-N 2 0 237.347 0.086 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)C[C@H](C)[NH2+]1 ZINC000911799602 639820771 /nfs/dbraw/zinc/82/07/71/639820771.db2.gz IPXOOIKZHOOEKT-ZXZMWMBJSA-N 2 0 237.347 0.179 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911800730 639822665 /nfs/dbraw/zinc/82/26/65/639822665.db2.gz XKPIEMAGRFRDKU-VWYCJHECSA-N 2 0 239.363 0.476 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C1CC([NH2+]C)C1 ZINC000911800899 639822865 /nfs/dbraw/zinc/82/28/65/639822865.db2.gz ZNJZCHQRPQVXJJ-UHFFFAOYSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911802687 639824681 /nfs/dbraw/zinc/82/46/81/639824681.db2.gz KZNPQFOEXMUBBH-BREBYQMCSA-N 2 0 239.363 0.476 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911803325 639825742 /nfs/dbraw/zinc/82/57/42/639825742.db2.gz QJUCXPPDIWAAGN-WCQYABFASA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000911808539 639829746 /nfs/dbraw/zinc/82/97/46/639829746.db2.gz CYGSELHCOPVLOA-WCQYABFASA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1CN(C(=O)CCSCCC[NH3+])CC[NH2+]1 ZINC000911809446 639831325 /nfs/dbraw/zinc/83/13/25/639831325.db2.gz JDVIBUUSGVXETN-SNVBAGLBSA-N 2 0 245.392 0.279 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000911812791 639834127 /nfs/dbraw/zinc/83/41/27/639834127.db2.gz JBMJUKMLCYJRQM-UWVGGRQHSA-N 2 0 215.341 0.556 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)CC(C)(C)C[NH3+] ZINC000911812743 639834186 /nfs/dbraw/zinc/83/41/86/639834186.db2.gz IPIWMDFNQPPGET-MRVPVSSYSA-N 2 0 201.314 0.167 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)N(C)[C@H](C)C[NH3+] ZINC000911813100 639834225 /nfs/dbraw/zinc/83/42/25/639834225.db2.gz LKTIJNAZEMEZJO-BDAKNGLRSA-N 2 0 233.381 0.263 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000911818874 639835532 /nfs/dbraw/zinc/83/55/32/639835532.db2.gz MVQMWQAKHNMSNJ-IJLUTSLNSA-N 2 0 241.379 0.722 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])C1CCCCC1 ZINC000911820482 639835678 /nfs/dbraw/zinc/83/56/78/639835678.db2.gz RTVNHZFCIWKZKY-IJLUTSLNSA-N 2 0 239.363 0.605 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000911820148 639835757 /nfs/dbraw/zinc/83/57/57/639835757.db2.gz FTMJWVXLPWWTLV-MNOVXSKESA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)CC[C@H]1[NH3+] ZINC000911821864 639835908 /nfs/dbraw/zinc/83/59/08/639835908.db2.gz VPVVIZZOMRGCGA-XZUYRWCXSA-N 2 0 237.347 0.182 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000911820595 639836173 /nfs/dbraw/zinc/83/61/73/639836173.db2.gz TVRWGQYRZTVUTP-WOPDTQHZSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000911824363 639837278 /nfs/dbraw/zinc/83/72/78/639837278.db2.gz NGWRRZVTSLFUAC-KXNHARMFSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000911824364 639837343 /nfs/dbraw/zinc/83/73/43/639837343.db2.gz NGWRRZVTSLFUAC-WRWGMCAJSA-N 2 0 239.363 0.428 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911825048 639837585 /nfs/dbraw/zinc/83/75/85/639837585.db2.gz GSVJJKQZGXMUAC-FOGDFJRCSA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CC1CC([NH3+])C1 ZINC000911824979 639837596 /nfs/dbraw/zinc/83/75/96/639837596.db2.gz FJUGXYMFIUXEEW-UDNWOFFPSA-N 2 0 213.325 0.213 20 0 BCADRP C[NH2+]C1(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CCC1 ZINC000911824432 639837778 /nfs/dbraw/zinc/83/77/78/639837778.db2.gz NVXBKDCHWUOKMW-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000911824362 639837957 /nfs/dbraw/zinc/83/79/57/639837957.db2.gz NGWRRZVTSLFUAC-KKOKHZNYSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])C1 ZINC000911823636 639838166 /nfs/dbraw/zinc/83/81/66/639838166.db2.gz MDZBZKKQTRKHGE-LNFKQOIKSA-N 2 0 225.336 0.167 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])C1 ZINC000911825937 639838380 /nfs/dbraw/zinc/83/83/80/639838380.db2.gz PCOPPEHCRVPGOX-WNYYMSAVSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911829110 639841005 /nfs/dbraw/zinc/84/10/05/639841005.db2.gz IBINPLTVHLXKHN-CKYFFXLPSA-N 2 0 227.352 0.461 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911829111 639841607 /nfs/dbraw/zinc/84/16/07/639841607.db2.gz IBINPLTVHLXKHN-FOGDFJRCSA-N 2 0 227.352 0.461 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000911830836 639842326 /nfs/dbraw/zinc/84/23/26/639842326.db2.gz HHUYRNDVEGIDSY-NQBHXWOUSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911834474 639845181 /nfs/dbraw/zinc/84/51/81/639845181.db2.gz VHYWPGWEABSCPV-WGBDABJCSA-N 2 0 239.363 0.617 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911833327 639845417 /nfs/dbraw/zinc/84/54/17/639845417.db2.gz KRVJWZFYDZWKED-VXGBXAGGSA-N 2 0 239.363 0.713 20 0 BCADRP C[NH2+]C1(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CCC1 ZINC000911816372 639848077 /nfs/dbraw/zinc/84/80/77/639848077.db2.gz BNXBURGCNWWLNJ-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000911818648 639849697 /nfs/dbraw/zinc/84/96/97/639849697.db2.gz ANXMEAFKNLQUKY-HOSYDEDBSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1CN(C(=O)CC(C)(C)C[NH3+])CC[C@@H]1[NH3+] ZINC000911818746 639850071 /nfs/dbraw/zinc/85/00/71/639850071.db2.gz NNQVYOCOUCQERG-UWVGGRQHSA-N 2 0 227.352 0.557 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)CC(C)(C)C[NH3+] ZINC000911817519 639850533 /nfs/dbraw/zinc/85/05/33/639850533.db2.gz DURSYPCOVNVNRZ-JTQLQIEISA-N 2 0 229.368 0.851 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C12CC(C1)C[NH2+]2 ZINC000911867159 639851255 /nfs/dbraw/zinc/85/12/55/639851255.db2.gz GPECBNPDESNCHM-UHFFFAOYSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911864555 639851500 /nfs/dbraw/zinc/85/15/00/639851500.db2.gz RHLPCUPUOSLJDF-WYUUTHIRSA-N 2 0 237.347 0.052 20 0 BCADRP C[NH2+]C1CC(C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000911864635 639851808 /nfs/dbraw/zinc/85/18/08/639851808.db2.gz LBXXAQHLPUMVJA-UHFFFAOYSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]([NH3+])CC(C)C ZINC000911868457 639853503 /nfs/dbraw/zinc/85/35/03/639853503.db2.gz PWNUEXLCHHAPPD-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000911868749 639853626 /nfs/dbraw/zinc/85/36/26/639853626.db2.gz QISDLJNELWCEQQ-UTUOFQBUSA-N 2 0 239.363 0.442 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911848979 639858498 /nfs/dbraw/zinc/85/84/98/639858498.db2.gz XUAUSAHAXTXLNX-HBNTYKKESA-N 2 0 237.347 0.337 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911848913 639858992 /nfs/dbraw/zinc/85/89/92/639858992.db2.gz WOJMIAYYKWOTJF-YTWAJWBKSA-N 2 0 237.347 0.180 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C1=CCC[NH2+]CC1 ZINC000911857681 639861749 /nfs/dbraw/zinc/86/17/49/639861749.db2.gz IUGYSHZMKSPBRP-UHFFFAOYSA-N 2 0 239.363 0.930 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C1([NH2+]C)CCC1 ZINC000911877932 639865409 /nfs/dbraw/zinc/86/54/09/639865409.db2.gz CUBODZUVWJBSNA-SNVBAGLBSA-N 2 0 227.352 0.762 20 0 BCADRP C[NH+](C)[C@@H]1[C@H]2CN(CC[NH+]3CCCC3)C[C@H]21 ZINC000931281680 640133094 /nfs/dbraw/zinc/13/30/94/640133094.db2.gz WWBSYRWSZFBGMS-ITGUQSILSA-N 2 0 223.364 0.574 20 0 BCADRP Cn1cncc1CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000931438009 640198428 /nfs/dbraw/zinc/19/84/28/640198428.db2.gz XPLVYPKVMLRNPJ-NEPJUHHUSA-N 2 0 234.347 0.804 20 0 BCADRP COC[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435177 640201825 /nfs/dbraw/zinc/20/18/25/640201825.db2.gz HYFFNHSSXXQHNW-SDDRHHMPSA-N 2 0 212.337 0.905 20 0 BCADRP C[C@@H](O)CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437168 640204505 /nfs/dbraw/zinc/20/45/05/640204505.db2.gz NDCHPEZBPRVVOK-GRYCIOLGSA-N 2 0 212.337 0.641 20 0 BCADRP CNC(=O)CCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439310 640205168 /nfs/dbraw/zinc/20/51/68/640205168.db2.gz UGWIQQWQTBYSAR-NWDGAFQWSA-N 2 0 239.363 0.396 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3COCCO3)C[C@@H]2C1 ZINC000931439290 640205715 /nfs/dbraw/zinc/20/57/15/640205715.db2.gz TYGIBDKUHILNQP-FRRDWIJNSA-N 2 0 240.347 0.285 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(Cc3cnns3)C[C@@H]2C1 ZINC000931439270 640205945 /nfs/dbraw/zinc/20/59/45/640205945.db2.gz SNJMUXCJWNHUKX-ZJUUUORDSA-N 2 0 238.360 0.922 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440056 640208728 /nfs/dbraw/zinc/20/87/28/640208728.db2.gz SVIHZMGDEVTHKM-XQQFMLRXSA-N 2 0 242.363 0.267 20 0 BCADRP Nc1cc[nH+]c2c1CN(CCn1cccn1)CC2 ZINC000931511430 640242002 /nfs/dbraw/zinc/24/20/02/640242002.db2.gz MEZLNQWRZJIMKH-UHFFFAOYSA-N 2 0 243.314 0.919 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H]([NH+]2CCC2)C1)[NH+](C)C ZINC000912903553 640248781 /nfs/dbraw/zinc/24/87/81/640248781.db2.gz NFYMLEQQVXGVED-GHMZBOCLSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH+]1CCC(C[NH2+]CC(=O)NC2CC2)CC1 ZINC000044518337 640399371 /nfs/dbraw/zinc/39/93/71/640399371.db2.gz JMIKJQUKCOVZLO-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP COC[C@@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156349992 640438833 /nfs/dbraw/zinc/43/88/33/640438833.db2.gz NBQQTYNYGSKULV-VWYCJHECSA-N 2 0 216.325 0.066 20 0 BCADRP CC[NH2+]CC(=O)NCC(C)(C)[NH+](C)C ZINC000044651255 640446888 /nfs/dbraw/zinc/44/68/88/640446888.db2.gz CUEWSNOMMJIWGE-UHFFFAOYSA-N 2 0 201.314 0.052 20 0 BCADRP CC[NH2+]CC(=O)N[C@H](C)CC[NH+](C)C ZINC000044651591 640447160 /nfs/dbraw/zinc/44/71/60/640447160.db2.gz DOMYQWZXSFVONJ-SECBINFHSA-N 2 0 201.314 0.052 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000044650764 640448023 /nfs/dbraw/zinc/44/80/23/640448023.db2.gz QDZUBWCUVGTKQU-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000237534721 640471342 /nfs/dbraw/zinc/47/13/42/640471342.db2.gz UWSPDUZTZPOAEM-GHMZBOCLSA-N 2 0 241.379 0.723 20 0 BCADRP CC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164391476 640475604 /nfs/dbraw/zinc/47/56/04/640475604.db2.gz BBDCPNNEIAGCOL-YFKTTZPYSA-N 2 0 212.337 0.817 20 0 BCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164406758 640482076 /nfs/dbraw/zinc/48/20/76/640482076.db2.gz RDVMLUUHVAXUSF-QCNOEVLYSA-N 2 0 228.336 0.053 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000044995419 640482089 /nfs/dbraw/zinc/48/20/89/640482089.db2.gz KYYZDIUXVXKRTB-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000167450114 640720650 /nfs/dbraw/zinc/72/06/50/640720650.db2.gz UBJAMWBSDOZDFD-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000167450219 640721023 /nfs/dbraw/zinc/72/10/23/640721023.db2.gz UBJAMWBSDOZDFD-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP C[N@@H+]1C[C@@H]2CN(C[C@@H]3CCC(=O)N3)C[C@]2(C)C1 ZINC000933732873 640754856 /nfs/dbraw/zinc/75/48/56/640754856.db2.gz CTZUPNVAMGYFOS-MDZLAQPJSA-N 2 0 237.347 0.149 20 0 BCADRP C[N@@H+]1C[C@@H]2C[NH+](CC3(C)COC3)C[C@]2(C)C1 ZINC000933733794 640756110 /nfs/dbraw/zinc/75/61/10/640756110.db2.gz IQCWSQBSRWWBJS-YPMHNXCESA-N 2 0 224.348 0.906 20 0 BCADRP CC[NH2+]CC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226403727 640760861 /nfs/dbraw/zinc/76/08/61/640760861.db2.gz KGHUYPSDLAIZHM-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP C[N@H+](CCCCCCO)CCN1CC[NH2+]CC1 ZINC000226420448 640762525 /nfs/dbraw/zinc/76/25/25/640762525.db2.gz WCXQLSSPNQPKQC-UHFFFAOYSA-N 2 0 243.395 0.376 20 0 BCADRP Cn1cc(CC[N@@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000226418910 640762798 /nfs/dbraw/zinc/76/27/98/640762798.db2.gz GHTYUNYKNGBOCM-LLVKDONJSA-N 2 0 222.336 0.633 20 0 BCADRP CC(C)[C@@H](CCO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000227010867 640809975 /nfs/dbraw/zinc/80/99/75/640809975.db2.gz UBZWRZXEOATGBO-CHWSQXEVSA-N 2 0 244.379 0.440 20 0 BCADRP C[C@H]1OCC[C@@]1(O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000227126764 640816347 /nfs/dbraw/zinc/81/63/47/640816347.db2.gz SEZULNSBGRULJQ-DGCLKSJQSA-N 2 0 242.363 0.458 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000227212740 640821413 /nfs/dbraw/zinc/82/14/13/640821413.db2.gz ZYFJCQAREHTESE-GMTAPVOTSA-N 2 0 216.325 0.053 20 0 BCADRP CCN(CC)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227766148 640848153 /nfs/dbraw/zinc/84/81/53/640848153.db2.gz QXLOUGGVZAWNRX-RYUDHWBXSA-N 2 0 241.379 0.772 20 0 BCADRP CCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227767855 640848193 /nfs/dbraw/zinc/84/81/93/640848193.db2.gz DKQZCWUTVYWOEY-UWVGGRQHSA-N 2 0 213.325 0.039 20 0 BCADRP CC(C)CNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227767138 640848198 /nfs/dbraw/zinc/84/81/98/640848198.db2.gz AANNFPAGAOUKDM-RYUDHWBXSA-N 2 0 241.379 0.675 20 0 BCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227767665 640848211 /nfs/dbraw/zinc/84/82/11/640848211.db2.gz IHVIVCITQCQPPB-QWRGUYRKSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+]CCCN(C)C(=O)CCCCC[NH3+] ZINC000087471657 640897645 /nfs/dbraw/zinc/89/76/45/640897645.db2.gz JZADQXYDMKJBQP-UHFFFAOYSA-N 2 0 215.341 0.573 20 0 BCADRP C[C@H](CNC(=O)C[C@H]([NH3+])C1CC1)[N@H+](C)C1CC1 ZINC000230063716 641011058 /nfs/dbraw/zinc/01/10/58/641011058.db2.gz XQIGCUQMWZELHN-SKDRFNHKSA-N 2 0 239.363 0.713 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH3+])c1 ZINC000230418626 641053599 /nfs/dbraw/zinc/05/35/99/641053599.db2.gz NKZSBJZSUTZHMI-ZDUSSCGKSA-N 2 0 247.342 0.969 20 0 BCADRP Cn1nccc1CC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000230900144 641116229 /nfs/dbraw/zinc/11/62/29/641116229.db2.gz JKOKVLCFKYRXGB-NSHDSACASA-N 2 0 222.336 0.633 20 0 BCADRP CNC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000232298195 641262948 /nfs/dbraw/zinc/26/29/48/641262948.db2.gz QPSQFNSFWKFQPD-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[C@H](C(=O)NC12CC[NH+](CC1)C2)[NH+](C)C ZINC000913631158 641429696 /nfs/dbraw/zinc/42/96/96/641429696.db2.gz MWWXBYMTTHNLPH-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC1CC[NH+](C)CC1 ZINC000913881486 641510907 /nfs/dbraw/zinc/51/09/07/641510907.db2.gz ZLMJEPHDBAVSFF-LLVKDONJSA-N 2 0 240.351 0.084 20 0 BCADRP CC(C)C[C@H](CNC(=O)C(C)(C)[NH3+])[NH+](C)C ZINC000040925226 641539645 /nfs/dbraw/zinc/53/96/45/641539645.db2.gz CGQQECUKPCHCMY-SNVBAGLBSA-N 2 0 229.368 0.816 20 0 BCADRP CC[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000041225819 641543538 /nfs/dbraw/zinc/54/35/38/641543538.db2.gz BHIGNGBEPXMJPG-UHFFFAOYSA-N 2 0 211.353 0.720 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N)CC[N@@H+]1C ZINC000158967962 641660341 /nfs/dbraw/zinc/66/03/41/641660341.db2.gz XSBIPDHHDJXQSB-ZJUUUORDSA-N 2 0 248.330 0.876 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000153187003 641717939 /nfs/dbraw/zinc/71/79/39/641717939.db2.gz NSWYNXPHBZHRKT-GARJFASQSA-N 2 0 227.352 0.569 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925414517 641727668 /nfs/dbraw/zinc/72/76/68/641727668.db2.gz NOSKRHWTJGDPTJ-LLVKDONJSA-N 2 0 242.367 0.284 20 0 BCADRP C[C@H](O)[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000929848474 641762229 /nfs/dbraw/zinc/76/22/29/641762229.db2.gz SJVWFSQPQMNIHD-ZDEQEGDKSA-N 2 0 242.363 0.144 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C ZINC000916112984 641909166 /nfs/dbraw/zinc/90/91/66/641909166.db2.gz DCXNMWDSYFZPCN-LLVKDONJSA-N 2 0 242.367 0.330 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)CCCCC[NH3+] ZINC000154135525 641966741 /nfs/dbraw/zinc/96/67/41/641966741.db2.gz NPQYOYLQFGKCDK-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@@H](CCC[NH3+])COC ZINC000233459666 642673187 /nfs/dbraw/zinc/67/31/87/642673187.db2.gz IYRMBLGKKOAWNG-NSHDSACASA-N 2 0 245.367 0.198 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000068890888 642806413 /nfs/dbraw/zinc/80/64/13/642806413.db2.gz ITYHMKRSPRLNGQ-AXFHLTTASA-N 2 0 216.325 0.053 20 0 BCADRP COC[C@@H](O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000068890896 642806579 /nfs/dbraw/zinc/80/65/79/642806579.db2.gz JQEARNAYRVIYNP-ONGXEEELSA-N 2 0 216.325 0.053 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000968921971 642821060 /nfs/dbraw/zinc/82/10/60/642821060.db2.gz PNLQSZOKSSDTDR-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000969099911 642822390 /nfs/dbraw/zinc/82/23/90/642822390.db2.gz VAHRSHYSNQYLNW-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP CCC[N@H+](C[C@H](O)COCC)C1CC[NH2+]CC1 ZINC000069280006 642845688 /nfs/dbraw/zinc/84/56/88/642845688.db2.gz JOOIKUSYMJPLAH-ZDUSSCGKSA-N 2 0 244.379 0.848 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000252683876 642890865 /nfs/dbraw/zinc/89/08/65/642890865.db2.gz FJAYZHYBSOPLSD-GMTAPVOTSA-N 2 0 216.325 0.195 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001018999529 643017290 /nfs/dbraw/zinc/01/72/90/643017290.db2.gz WMMPXVGSEMJLPO-RYUDHWBXSA-N 2 0 241.379 0.783 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCF)C1)[NH+](C)C ZINC001019032478 643018213 /nfs/dbraw/zinc/01/82/13/643018213.db2.gz ZDTZLPSZFGUMAL-WDEREUQCSA-N 2 0 245.342 0.487 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001019394391 643029997 /nfs/dbraw/zinc/02/99/97/643029997.db2.gz FPZMPFCDPGANAM-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001019381222 643031395 /nfs/dbraw/zinc/03/13/95/643031395.db2.gz BEOWUEORTDUQNI-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)CCCCC[NH3+] ZINC000049559665 643087196 /nfs/dbraw/zinc/08/71/96/643087196.db2.gz FLLFVSXUTGMPSS-LLVKDONJSA-N 2 0 229.368 0.962 20 0 BCADRP CC[NH+]1CCC(CCNC(=O)[C@H](C)[NH2+]C)CC1 ZINC000655447830 643244023 /nfs/dbraw/zinc/24/40/23/643244023.db2.gz GUIYWAXNDYQGIC-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032186876 643281930 /nfs/dbraw/zinc/28/19/30/643281930.db2.gz YMIXOAGEFFGJNG-LLVKDONJSA-N 2 0 225.336 0.006 20 0 BCADRP CCCNC(=[NH2+])NCC[NH+]1CCC(OC)CC1 ZINC000079918466 643282297 /nfs/dbraw/zinc/28/22/97/643282297.db2.gz JYRBBARLYOWVEM-UHFFFAOYSA-N 2 0 242.367 0.412 20 0 BCADRP O=C1OCC[C@@H]1[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843386598 643362908 /nfs/dbraw/zinc/36/29/08/643362908.db2.gz AVUGDDLCZRXBMD-UTUOFQBUSA-N 2 0 238.331 0.623 20 0 BCADRP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001021044213 643393157 /nfs/dbraw/zinc/39/31/57/643393157.db2.gz KFNHZXJHDSJNLK-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP CCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001021045439 643395534 /nfs/dbraw/zinc/39/55/34/643395534.db2.gz DPNXQIPPKKOMJJ-HAQNSBGRSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000733868857 643476663 /nfs/dbraw/zinc/47/66/63/643476663.db2.gz CTIIUWRBHJATQY-NWDGAFQWSA-N 2 0 241.379 0.783 20 0 BCADRP CC(C)[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000970719818 643514869 /nfs/dbraw/zinc/51/48/69/643514869.db2.gz LKOCTKIJZLGOEY-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000997014074 643574443 /nfs/dbraw/zinc/57/44/43/643574443.db2.gz FPVBZSXYRVSHJX-LBPRGKRZSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+]CCN(C)C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000083863047 643626393 /nfs/dbraw/zinc/62/63/93/643626393.db2.gz JMJQWTFJCIPMTH-NSHDSACASA-N 2 0 229.368 0.675 20 0 BCADRP COCCOCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216556 643650750 /nfs/dbraw/zinc/65/07/50/643650750.db2.gz VEMUDKRVZDCVCY-NEPJUHHUSA-N 2 0 230.352 0.757 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1NCC[NH+]1CCCC1 ZINC000084218071 643650969 /nfs/dbraw/zinc/65/09/69/643650969.db2.gz YIEVQYXCWAHUKY-VXGBXAGGSA-N 2 0 211.353 0.799 20 0 BCADRP CN(C)C(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000085870145 643824301 /nfs/dbraw/zinc/82/43/01/643824301.db2.gz WKRMUOFUDJOAOJ-UHFFFAOYSA-N 2 0 213.325 0.276 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000922161844 643884149 /nfs/dbraw/zinc/88/41/49/643884149.db2.gz YBBVERBGVYZSOF-LLVKDONJSA-N 2 0 237.347 0.293 20 0 BCADRP C[C@@H](CNC(=O)NCC1([NH+](C)C)CC1)[NH+](C)C ZINC000922742808 644085463 /nfs/dbraw/zinc/08/54/63/644085463.db2.gz LKGKDOWMQCWIFR-JTQLQIEISA-N 2 0 242.367 0.330 20 0 BCADRP OC[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000923004478 644228222 /nfs/dbraw/zinc/22/82/22/644228222.db2.gz FDZIICJRLYUAJT-LPWJVIDDSA-N 2 0 224.348 0.974 20 0 BCADRP CN(CC[NH+](C)C)C(=O)NCC1([NH+](C)C)CC1 ZINC000923004466 644228550 /nfs/dbraw/zinc/22/85/50/644228550.db2.gz TZZHTODCXUNPIO-UHFFFAOYSA-N 2 0 242.367 0.284 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](O)CSC)C1 ZINC000923283741 644309735 /nfs/dbraw/zinc/30/97/35/644309735.db2.gz XVIOHBYCSXKVRS-QWRGUYRKSA-N 2 0 232.393 0.642 20 0 BCADRP CSC[C@H](O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000923279924 644312799 /nfs/dbraw/zinc/31/27/99/644312799.db2.gz SJHUFMXILRSEJD-SNVBAGLBSA-N 2 0 218.366 0.394 20 0 BCADRP [NH3+]C[C@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280948 644315692 /nfs/dbraw/zinc/31/56/92/644315692.db2.gz MGJGZRGLUQCCNB-VXGBXAGGSA-N 3 0 239.363 0.036 20 0 BCADRP CCOCC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923282765 644319050 /nfs/dbraw/zinc/31/90/50/644319050.db2.gz XQMTUKVHIACEIF-NWDGAFQWSA-N 2 0 230.352 0.445 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923288967 644322081 /nfs/dbraw/zinc/32/20/81/644322081.db2.gz NGLNVBOQDKMGBI-AEJSXWLSSA-N 2 0 218.366 0.379 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923289733 644322192 /nfs/dbraw/zinc/32/21/92/644322192.db2.gz LBCGEZZHODASPB-VXGBXAGGSA-N 2 0 230.352 0.709 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](O)CCOC(C)C)C1 ZINC000923289184 644322714 /nfs/dbraw/zinc/32/27/14/644322714.db2.gz GPRYPHSLHSJVQL-QWHCGFSZSA-N 2 0 244.379 0.704 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](O)CCOC(C)C)C1 ZINC000923289183 644323191 /nfs/dbraw/zinc/32/31/91/644323191.db2.gz GPRYPHSLHSJVQL-OLZOCXBDSA-N 2 0 244.379 0.704 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](O)COCC(C)C)C1 ZINC000923290833 644325991 /nfs/dbraw/zinc/32/59/91/644325991.db2.gz OSNAQNWPNWACEH-STQMWFEESA-N 2 0 244.379 0.561 20 0 BCADRP C[C@@H]1C[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H](C)O1 ZINC000923299106 644327029 /nfs/dbraw/zinc/32/70/29/644327029.db2.gz IEHRRZGDBZCIGH-UTUOFQBUSA-N 2 0 240.347 0.474 20 0 BCADRP CCOCC[C@@H](O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000923294063 644327932 /nfs/dbraw/zinc/32/79/32/644327932.db2.gz FMOIUQAKQYOTRQ-WXRRBKDZSA-N 2 0 244.379 0.976 20 0 BCADRP CSC[C@@H](O)CN1CCC[C@H]1C[NH3+] ZINC000923292314 644327944 /nfs/dbraw/zinc/32/79/44/644327944.db2.gz HRHLEHHAVFWSBL-IUCAKERBSA-N 2 0 204.339 0.133 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923295920 644331480 /nfs/dbraw/zinc/33/14/80/644331480.db2.gz KHRAEVZGERWZDI-VXGBXAGGSA-N 3 0 241.379 0.328 20 0 BCADRP C[C@@](C[NH3+])([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923295968 644331589 /nfs/dbraw/zinc/33/15/89/644331589.db2.gz LQSJXTVJQNJFRQ-RYUDHWBXSA-N 3 0 239.363 0.082 20 0 BCADRP CC(C)OC[C@@H](O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000923296034 644334592 /nfs/dbraw/zinc/33/45/92/644334592.db2.gz NLIMHIFEVXZPOW-RYUDHWBXSA-N 2 0 232.368 0.735 20 0 BCADRP C[C@](C[NH3+])([NH2+]CCO[C@H]1CCOC1)C1CC1 ZINC000923295757 644333729 /nfs/dbraw/zinc/33/37/29/644333729.db2.gz GLCLKUGFNGDBPV-NWDGAFQWSA-N 2 0 228.336 0.509 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923296572 644335756 /nfs/dbraw/zinc/33/57/56/644335756.db2.gz IBSYAXRNOABWSI-USZNOCQGSA-N 3 0 229.368 0.142 20 0 BCADRP CC[C@H]1COCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923307625 644338953 /nfs/dbraw/zinc/33/89/53/644338953.db2.gz YRALWCZMKQMNME-NWDGAFQWSA-N 2 0 240.347 0.476 20 0 BCADRP CCOC[C@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923314492 644340048 /nfs/dbraw/zinc/34/00/48/644340048.db2.gz JKBCNCSVZPHNAQ-BJDJZHNGSA-N 2 0 228.336 0.195 20 0 BCADRP C[N@H+](CC1CC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923305486 644340627 /nfs/dbraw/zinc/34/06/27/644340627.db2.gz CEQVETVBUATORK-LLVKDONJSA-N 2 0 210.321 0.707 20 0 BCADRP COC[C@@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923312098 644341455 /nfs/dbraw/zinc/34/14/55/644341455.db2.gz ARGDSRVZAVAHJK-NEPJUHHUSA-N 2 0 240.347 0.333 20 0 BCADRP C[C@H](O)CC[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923317852 644344185 /nfs/dbraw/zinc/34/41/85/644344185.db2.gz WXUPQDCNZBDLFZ-QWRGUYRKSA-N 2 0 228.336 0.068 20 0 BCADRP CC(C)[C@@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923318188 644344807 /nfs/dbraw/zinc/34/48/07/644344807.db2.gz JJDFLPDOYOZFBM-RHYQMDGZSA-N 2 0 212.337 0.815 20 0 BCADRP C[C@H]1CSCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315293 644345070 /nfs/dbraw/zinc/34/50/70/644345070.db2.gz FWHFWNPRZMMCTG-WDEREUQCSA-N 2 0 242.388 0.802 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923330673 644348192 /nfs/dbraw/zinc/34/81/92/644348192.db2.gz CDHSFNSYCXVAIF-GHMZBOCLSA-N 2 0 230.377 0.396 20 0 BCADRP CCCCOC[C@@H](O)C[NH2+]CC1([NH3+])CCC1 ZINC000923330621 644349141 /nfs/dbraw/zinc/34/91/41/644349141.db2.gz BRPVQBCTZALXFY-NSHDSACASA-N 2 0 230.352 0.635 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923330356 644349702 /nfs/dbraw/zinc/34/97/02/644349702.db2.gz CSKWZPSFUATFIK-SRVKXCTJSA-N 3 0 239.363 0.034 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000923323478 644352597 /nfs/dbraw/zinc/35/25/97/644352597.db2.gz HDSUWCFFNDWKPM-CYDGBPFRSA-N 2 0 239.363 0.007 20 0 BCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000923333191 644354082 /nfs/dbraw/zinc/35/40/82/644354082.db2.gz VLQVLOHXSBSURT-FRRDWIJNSA-N 2 0 244.379 0.689 20 0 BCADRP CSC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000923333734 644355394 /nfs/dbraw/zinc/35/53/94/644355394.db2.gz RVMHUFRKEIJQNE-ZRUFSTJUSA-N 2 0 230.377 0.379 20 0 BCADRP CSC[C@@H](O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000923347278 644360243 /nfs/dbraw/zinc/36/02/43/644360243.db2.gz XERLMKSTTWQKDM-VIFPVBQESA-N 2 0 218.366 0.524 20 0 BCADRP CSC[C@@H](O)C[NH2+]CC1([NH3+])CCC1 ZINC000923331886 644360301 /nfs/dbraw/zinc/36/03/01/644360301.db2.gz IOZGQFDMAUGXRG-QMMMGPOBSA-N 2 0 204.339 0.181 20 0 BCADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000923332024 644360313 /nfs/dbraw/zinc/36/03/13/644360313.db2.gz OFGQGSZGSCZBCX-AGIUHOORSA-N 2 0 244.379 0.832 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923331686 644360952 /nfs/dbraw/zinc/36/09/52/644360952.db2.gz MSJMQMUFIRFRBC-STQMWFEESA-N 2 0 242.363 0.459 20 0 BCADRP CC[C@H]1C[N@H+](C[C@@H](O)COC)CC[C@H]1[NH3+] ZINC000923343090 644362975 /nfs/dbraw/zinc/36/29/75/644362975.db2.gz BXYXYMQGJFHTTF-HBNTYKKESA-N 2 0 216.325 0.053 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000923349700 644363164 /nfs/dbraw/zinc/36/31/64/644363164.db2.gz VUTIUBDTGUCGDF-STQMWFEESA-N 2 0 244.379 0.835 20 0 BCADRP CCCCCC[C@@H](O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000923367434 644378694 /nfs/dbraw/zinc/37/86/94/644378694.db2.gz VBPOARHFYXLGTB-NEPJUHHUSA-N 2 0 232.368 0.569 20 0 BCADRP C(C[NH2+]C1CC1)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923358245 644366928 /nfs/dbraw/zinc/36/69/28/644366928.db2.gz GHMVAVVWQRYRGH-AAEUAGOBSA-N 2 0 223.364 0.812 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000923352359 644369443 /nfs/dbraw/zinc/36/94/43/644369443.db2.gz DEHANCQVHGJALR-GHMZBOCLSA-N 2 0 232.393 0.914 20 0 BCADRP C[C@@H]1CCCC[C@H]1OCCNC(C[NH3+])C[NH3+] ZINC000923352195 644369712 /nfs/dbraw/zinc/36/97/12/644369712.db2.gz QIONQQOATSZPBV-ZYHUDNBSSA-N 2 0 229.368 0.457 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1nc2ccccc2s1 ZINC000923353819 644369924 /nfs/dbraw/zinc/36/99/24/644369924.db2.gz AXOCLZGVKFDWOS-UHFFFAOYSA-N 2 0 236.344 0.672 20 0 BCADRP [NH3+]CC(C[NH3+])NCCOc1ccccc1Cl ZINC000923353138 644370631 /nfs/dbraw/zinc/37/06/31/644370631.db2.gz UMQQVPVHORCQTA-UHFFFAOYSA-N 2 0 243.738 0.594 20 0 BCADRP CC1(C)CCC[C@@H](CNC(C[NH3+])C[NH3+])O1 ZINC000923356366 644372115 /nfs/dbraw/zinc/37/21/15/644372115.db2.gz MDOUXOMIWIFXMM-JTQLQIEISA-N 2 0 215.341 0.210 20 0 BCADRP CN(C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H](C[NH3+])C1CC1 ZINC000923356274 644373506 /nfs/dbraw/zinc/37/35/06/644373506.db2.gz GPUXJJQUNMXSDF-NWDGAFQWSA-N 2 0 239.363 0.034 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923366233 644376990 /nfs/dbraw/zinc/37/69/90/644376990.db2.gz IGLPOIIQRZRKDE-VXGBXAGGSA-N 2 0 228.336 0.069 20 0 BCADRP COC(=O)[C@H](C)C[N@H+](C)CCC[NH2+]C1CC1 ZINC000923369672 644381029 /nfs/dbraw/zinc/38/10/29/644381029.db2.gz NOBYRWWANJFLNI-SNVBAGLBSA-N 2 0 228.336 0.869 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923362595 644386141 /nfs/dbraw/zinc/38/61/41/644386141.db2.gz PGRPNCQLTGEQDZ-AGIUHOORSA-N 2 0 242.363 0.315 20 0 BCADRP C[C@@H]1CN(CCC[NH2+]C2CC2)[C@H](C)C[NH2+]1 ZINC000923360916 644386888 /nfs/dbraw/zinc/38/68/88/644386888.db2.gz FXUXNGYBMVDRRX-GHMZBOCLSA-N 2 0 211.353 0.811 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000923362603 644387187 /nfs/dbraw/zinc/38/71/87/644387187.db2.gz PGRPNCQLTGEQDZ-RWMBFGLXSA-N 2 0 242.363 0.315 20 0 BCADRP CC(C)COC[C@@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC000923361646 644387398 /nfs/dbraw/zinc/38/73/98/644387398.db2.gz JTHJQJSNSHPGBG-MCIGGMRASA-N 2 0 230.352 0.441 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000923375417 644388370 /nfs/dbraw/zinc/38/83/70/644388370.db2.gz LVOZQISSKGUXPM-STQMWFEESA-N 2 0 244.379 0.956 20 0 BCADRP C[C@@H]1[C@H](C)OCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923373787 644388964 /nfs/dbraw/zinc/38/89/64/644388964.db2.gz RNJHVUPZGGXVFZ-WOPDTQHZSA-N 2 0 240.347 0.474 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@@H](O)COCC(C)C ZINC000923377499 644390952 /nfs/dbraw/zinc/39/09/52/644390952.db2.gz LGRIZMFDWIVFPB-GFCCVEGCSA-N 2 0 232.368 0.561 20 0 BCADRP C[C@@H](O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000923376894 644391697 /nfs/dbraw/zinc/39/16/97/644391697.db2.gz DQDJZTARLCUXOL-UTUOFQBUSA-N 2 0 240.347 0.068 20 0 BCADRP CC(C)CC[C@@H](O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000923377691 644392086 /nfs/dbraw/zinc/39/20/86/644392086.db2.gz AVASNJZNZBNXDS-CHWSQXEVSA-N 2 0 244.379 0.833 20 0 BCADRP CC(C)CC[C@H](O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000923377695 644392127 /nfs/dbraw/zinc/39/21/27/644392127.db2.gz AVASNJZNZBNXDS-STQMWFEESA-N 2 0 244.379 0.833 20 0 BCADRP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923382286 644393331 /nfs/dbraw/zinc/39/33/31/644393331.db2.gz BQKYADUFQHPJOT-YNEHKIRRSA-N 2 0 244.379 0.879 20 0 BCADRP C[C@@H](O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000923383711 644395503 /nfs/dbraw/zinc/39/55/03/644395503.db2.gz LXEHUCBZHDWIRT-GHMZBOCLSA-N 2 0 212.337 0.831 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H](c3cccnc3)C2)C1 ZINC000923384080 644395635 /nfs/dbraw/zinc/39/56/35/644395635.db2.gz RYWQORJSDXUQMI-RFGFWPKPSA-N 2 0 247.342 0.722 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@]3(C2)CCCOC3)C1 ZINC000923395297 644402131 /nfs/dbraw/zinc/40/21/31/644402131.db2.gz RFEYBMOKVMVWEA-CYDGBPFRSA-N 2 0 240.347 0.340 20 0 BCADRP CN(CCC[NH2+]C1CC1)[C@@H](C[NH3+])C(F)(F)F ZINC000923397623 644404004 /nfs/dbraw/zinc/40/40/04/644404004.db2.gz NIXXCAUMRIXPEO-VIFPVBQESA-N 2 0 239.285 0.950 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000923392659 644408831 /nfs/dbraw/zinc/40/88/31/644408831.db2.gz KQEJUPRYHFFPDT-TUAOUCFPSA-N 2 0 230.352 0.586 20 0 BCADRP C(CN1C[C@@H]2C[C@H]1C[NH2+]2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923411072 644411653 /nfs/dbraw/zinc/41/16/53/644411653.db2.gz MQUDNIYMNUGQDT-GTGGMXTKSA-N 2 0 235.375 0.953 20 0 BCADRP C[C@@H]([NH3+])CN(C)C[C@H](O)COc1ccccc1 ZINC000923409681 644412328 /nfs/dbraw/zinc/41/23/28/644412328.db2.gz QXIAXNILAXXXMG-NEPJUHHUSA-N 2 0 238.331 0.705 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923412760 644414714 /nfs/dbraw/zinc/41/47/14/644414714.db2.gz ASQXMSGHKKAESW-WCQYABFASA-N 2 0 244.379 0.691 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCCCC[C@@H]([NH3+])C2)C1 ZINC000923411525 644415193 /nfs/dbraw/zinc/41/51/93/644415193.db2.gz MWFNEBWBHZEOCD-RHYQMDGZSA-N 2 0 227.352 0.040 20 0 BCADRP CO[C@H]1CN(CCC[NH2+]C2CC2)[C@@](C)(C[NH3+])C1 ZINC000923413267 644415718 /nfs/dbraw/zinc/41/57/18/644415718.db2.gz VHXUIAYZNUUYNF-CHWSQXEVSA-N 2 0 241.379 0.567 20 0 BCADRP CO[C@@H]1CN(CCC[NH2+]C2CC2)[C@](C)(C[NH3+])C1 ZINC000923413270 644416522 /nfs/dbraw/zinc/41/65/22/644416522.db2.gz VHXUIAYZNUUYNF-STQMWFEESA-N 2 0 241.379 0.567 20 0 BCADRP CO[C@@H]1CN(CCC[NH2+]C2CC2)[C@@](C)(C[NH3+])C1 ZINC000923413269 644416583 /nfs/dbraw/zinc/41/65/83/644416583.db2.gz VHXUIAYZNUUYNF-QWHCGFSZSA-N 2 0 241.379 0.567 20 0 BCADRP [NH3+]CCN(CCC[NH2+]C1CC1)CC(F)(F)F ZINC000923424313 644418331 /nfs/dbraw/zinc/41/83/31/644418331.db2.gz QPLDWTYUIQAJKB-UHFFFAOYSA-N 2 0 239.285 0.952 20 0 BCADRP CCN(CCC[NH2+]C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923423505 644418401 /nfs/dbraw/zinc/41/84/01/644418401.db2.gz BLRHFBNORWCOQA-GFCCVEGCSA-N 2 0 211.353 0.812 20 0 BCADRP CC(C)COC[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923423662 644418545 /nfs/dbraw/zinc/41/85/45/644418545.db2.gz YGNYLFOCMHWIKS-GRYCIOLGSA-N 2 0 244.379 0.735 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H](CF)C2)C1 ZINC000923423715 644418675 /nfs/dbraw/zinc/41/86/75/644418675.db2.gz MKJVCYFVVKVEPE-XKNYDFJKSA-N 2 0 202.273 0.128 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000923424376 644419801 /nfs/dbraw/zinc/41/98/01/644419801.db2.gz WZIXSVSHJLRFBP-LLVKDONJSA-N 2 0 244.404 0.928 20 0 BCADRP CCOCCOCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923423745 644419920 /nfs/dbraw/zinc/41/99/20/644419920.db2.gz YTZFUGTYIWAYMQ-MNOVXSKESA-N 2 0 230.352 0.755 20 0 BCADRP CC(C)COC[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000923423673 644420660 /nfs/dbraw/zinc/42/06/60/644420660.db2.gz YGNYLFOCMHWIKS-WOPDTQHZSA-N 2 0 244.379 0.735 20 0 BCADRP CO[C@@H]1COCC[C@H]1[N@H+](C)CCC[NH2+]C1CC1 ZINC000923426958 644421443 /nfs/dbraw/zinc/42/14/43/644421443.db2.gz PUHSMRPCMSBBNQ-CHWSQXEVSA-N 2 0 242.363 0.864 20 0 BCADRP CO[C@@H]1COCC[C@@H]1[N@H+](C)CCC[NH2+]C1CC1 ZINC000923426960 644421555 /nfs/dbraw/zinc/42/15/55/644421555.db2.gz PUHSMRPCMSBBNQ-QWHCGFSZSA-N 2 0 242.363 0.864 20 0 BCADRP CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923419473 644424747 /nfs/dbraw/zinc/42/47/47/644424747.db2.gz APPFANBUKVWOSJ-IJLUTSLNSA-N 2 0 244.379 0.879 20 0 BCADRP C[C@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923432751 644426422 /nfs/dbraw/zinc/42/64/22/644426422.db2.gz JMKBEIGVYJGERS-NWDGAFQWSA-N 2 0 240.347 0.476 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C[C@H]1CC[NH2+]C1 ZINC000923436576 644427532 /nfs/dbraw/zinc/42/75/32/644427532.db2.gz PFEGOJBLLFTOCD-YFKTTZPYSA-N 2 0 211.353 0.667 20 0 BCADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CCOCC[NH3+] ZINC000923435758 644428272 /nfs/dbraw/zinc/42/82/72/644428272.db2.gz JKMOCHBYFMKJMZ-DCAQKATOSA-N 2 0 215.341 0.032 20 0 BCADRP COC[C@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923447100 644431801 /nfs/dbraw/zinc/43/18/01/644431801.db2.gz PYQUHICIBAQXTC-RYUDHWBXSA-N 2 0 242.363 0.851 20 0 BCADRP CC[C@H](O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923443043 644434674 /nfs/dbraw/zinc/43/46/74/644434674.db2.gz RXBDSYVDGOXADN-NWDGAFQWSA-N 2 0 242.363 0.587 20 0 BCADRP C(C[NH2+]C1CC1)CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923456342 644436145 /nfs/dbraw/zinc/43/61/45/644436145.db2.gz CVOBVWYFAOXZBG-WCQYABFASA-N 2 0 223.364 0.812 20 0 BCADRP C([C@@H]1CCCCO1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923460323 644437747 /nfs/dbraw/zinc/43/77/47/644437747.db2.gz MKRSOOFVMJOLTP-LBPRGKRZSA-N 2 0 227.352 0.050 20 0 BCADRP c1cc(CN2CC[NH2+]CC[NH2+]CC2)sn1 ZINC000923459462 644439383 /nfs/dbraw/zinc/43/93/83/644439383.db2.gz BQSYCKUBUSOUIK-UHFFFAOYSA-N 2 0 226.349 0.138 20 0 BCADRP Cc1noc(C)c1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923465663 644443106 /nfs/dbraw/zinc/44/31/06/644443106.db2.gz BMSSJMQWOJKNGA-UHFFFAOYSA-N 2 0 238.335 0.286 20 0 BCADRP Cl/C=C/CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459721 644443660 /nfs/dbraw/zinc/44/36/60/644443660.db2.gz MWHOYCYUSOJZEI-OWOJBTEDSA-N 2 0 203.717 0.234 20 0 BCADRP CC(C)COCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923461156 644447235 /nfs/dbraw/zinc/44/72/35/644447235.db2.gz ZQLBTSQFLYQKGK-UHFFFAOYSA-N 2 0 229.368 0.154 20 0 BCADRP [NH3+][C@@]1(CO)CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000923470888 644449475 /nfs/dbraw/zinc/44/94/75/644449475.db2.gz BWEKNEPGSCUZHJ-OLZOCXBDSA-N 2 0 241.379 0.162 20 0 BCADRP CCOC[C@@H](O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000085869796 644451396 /nfs/dbraw/zinc/45/13/96/644451396.db2.gz QNESSSGSVFBFMD-MCIGGMRASA-N 2 0 230.352 0.586 20 0 BCADRP [NH3+]CC[C@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000923478373 644456688 /nfs/dbraw/zinc/45/66/88/644456688.db2.gz BCLHWBQBPMTZTI-DCAQKATOSA-N 2 0 215.316 0.357 20 0 BCADRP Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H](CC[NH3+])C2)[nH]1 ZINC000923480588 644458665 /nfs/dbraw/zinc/45/86/65/644458665.db2.gz JNYGTTAVJSGOBN-PSASIEDQSA-N 2 0 223.324 0.845 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](CCOCC(F)F)C1 ZINC000923483184 644459499 /nfs/dbraw/zinc/45/94/99/644459499.db2.gz NEUGWNJHKBMFHU-SECBINFHSA-N 2 0 222.279 0.939 20 0 BCADRP CN1CCC[C@H]([N@@H+]2CC[C@H](CC[NH3+])C2)C1=O ZINC000923480497 644459641 /nfs/dbraw/zinc/45/96/41/644459641.db2.gz HUDMPFDJRDJLRY-QWRGUYRKSA-N 2 0 225.336 0.278 20 0 BCADRP C[C@H](CN1CCOCC1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923481950 644460336 /nfs/dbraw/zinc/46/03/36/644460336.db2.gz VPIWIZGAHIGXDP-CHWSQXEVSA-N 2 0 241.379 0.378 20 0 BCADRP COC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495292 644462357 /nfs/dbraw/zinc/46/23/57/644462357.db2.gz BFZLKIKKTNGQSQ-LPEHRKFASA-N 2 0 214.309 0.465 20 0 BCADRP C[C@@H]1C[N@H+](CCc2cnn(C)c2)CC[C@H]1C[NH3+] ZINC000923491358 644465644 /nfs/dbraw/zinc/46/56/44/644465644.db2.gz RBWBHTPPAJYZIS-YPMHNXCESA-N 2 0 236.363 0.879 20 0 BCADRP C[C@H]1C[N@H+](Cc2cc[nH]n2)CC[C@@H]1C[NH3+] ZINC000923491501 644467279 /nfs/dbraw/zinc/46/72/79/644467279.db2.gz SMZBHZBEVRVGIC-VHSXEESVSA-N 2 0 208.309 0.826 20 0 BCADRP C[C@@H]1C[N@H+](CCc2cncn2C)CC[C@@H]1C[NH3+] ZINC000923491540 644467482 /nfs/dbraw/zinc/46/74/82/644467482.db2.gz SQUZYMMGRMRLDD-VXGBXAGGSA-N 2 0 236.363 0.879 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000923491548 644468311 /nfs/dbraw/zinc/46/83/11/644468311.db2.gz STYARVMYLATJIA-JHJVBQTASA-N 3 0 225.380 0.903 20 0 BCADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]2)CC[C@@H]1C[NH3+] ZINC000923494083 644469564 /nfs/dbraw/zinc/46/95/64/644469564.db2.gz VQJHIIGQAYUIEF-IJLUTSLNSA-N 2 0 211.353 0.655 20 0 BCADRP CC(C)OC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923493995 644470790 /nfs/dbraw/zinc/47/07/90/644470790.db2.gz VFKDKZKPUMWSEP-YNEHKIRRSA-N 2 0 244.379 0.689 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cncn2C)CC[C@H]1C[NH3+] ZINC000923497311 644470853 /nfs/dbraw/zinc/47/08/53/644470853.db2.gz DOIDRTBAAJAOLV-MNOVXSKESA-N 2 0 222.336 0.837 20 0 BCADRP COC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923497531 644471958 /nfs/dbraw/zinc/47/19/58/644471958.db2.gz LUQWFDKFLZZYQD-IUCAKERBSA-N 2 0 200.282 0.076 20 0 BCADRP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497760 644472640 /nfs/dbraw/zinc/47/26/40/644472640.db2.gz DLAXMOLLGSCWRP-WOPDTQHZSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923499332 644472968 /nfs/dbraw/zinc/47/29/68/644472968.db2.gz JYGKJQUWGDMLPD-HLTSFMKQSA-N 2 0 240.269 0.826 20 0 BCADRP Cn1cc(CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000923515006 644477105 /nfs/dbraw/zinc/47/71/05/644477105.db2.gz ACRQRAHNJOYOHM-QWHCGFSZSA-N 2 0 234.347 0.504 20 0 BCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503641 644477839 /nfs/dbraw/zinc/47/78/39/644477839.db2.gz KCJABFVUZANYCJ-OUAUKWLOSA-N 2 0 239.363 0.570 20 0 BCADRP CCOCC[C@@H](O)CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923509538 644478001 /nfs/dbraw/zinc/47/80/01/644478001.db2.gz ROAFBTPYROMYQK-GMTAPVOTSA-N 2 0 216.325 0.053 20 0 BCADRP C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000923516706 644479773 /nfs/dbraw/zinc/47/97/73/644479773.db2.gz OXXVHSIPZJSDGF-MELADBBJSA-N 3 0 237.391 0.917 20 0 BCADRP Cn1cncc1CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515988 644481558 /nfs/dbraw/zinc/48/15/58/644481558.db2.gz PTRTVYREXPIPET-NWDGAFQWSA-N 2 0 234.347 0.504 20 0 BCADRP CCO[C@H]1CC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000923530538 644486954 /nfs/dbraw/zinc/48/69/54/644486954.db2.gz FNDJUNPOJZNQBM-WDEREUQCSA-N 2 0 216.325 0.068 20 0 BCADRP C([C@@H]1C[NH2+]CCO1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534817 644488409 /nfs/dbraw/zinc/48/84/09/644488409.db2.gz XWVQLDBLSYOYBE-STQMWFEESA-N 2 0 239.363 0.193 20 0 BCADRP Cc1cc(NC[C@H](C)[NH+](C)C)nc(N)[nH+]1 ZINC000087031384 644494010 /nfs/dbraw/zinc/49/40/10/644494010.db2.gz YXDYJVXDKLQGQP-QMMMGPOBSA-N 2 0 209.297 0.729 20 0 BCADRP OC1(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCCCC1 ZINC000088430321 644520201 /nfs/dbraw/zinc/52/02/01/644520201.db2.gz RWWNFBPTROPWPP-VXGBXAGGSA-N 2 0 224.348 0.833 20 0 BCADRP Cn1ccc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091666529 644635038 /nfs/dbraw/zinc/63/50/38/644635038.db2.gz STDVDGJRLWAZEO-ZIAGYGMSSA-N 2 0 249.358 0.978 20 0 BCADRP C[N@H+](CCN1CCOCC1)C1CCC([NH3+])CC1 ZINC000091846734 644641279 /nfs/dbraw/zinc/64/12/79/644641279.db2.gz QLVVEVDVSDGUCC-UHFFFAOYSA-N 2 0 241.379 0.520 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000092135030 644647216 /nfs/dbraw/zinc/64/72/16/644647216.db2.gz LYRBSFKEDCZKFI-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP COCCN(C)CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000250020250 644746157 /nfs/dbraw/zinc/74/61/57/644746157.db2.gz YBDKNCOPKSIPNA-RYUDHWBXSA-N 2 0 229.368 0.282 20 0 BCADRP CN1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000250561695 644764169 /nfs/dbraw/zinc/76/41/69/644764169.db2.gz COJMUPZLSYQHLP-WOPDTQHZSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251077203 644790582 /nfs/dbraw/zinc/79/05/82/644790582.db2.gz GQBHOHPUYSKNJL-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000251227125 644798658 /nfs/dbraw/zinc/79/86/58/644798658.db2.gz PCQJVSZRMPQSOD-IVZWLZJFSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)CC[C@H]1C[NH3+] ZINC000251566815 644810831 /nfs/dbraw/zinc/81/08/31/644810831.db2.gz BVRNVUKXYYMBLF-MNOVXSKESA-N 2 0 239.363 0.524 20 0 BCADRP C[C@H]1C[N@H+](CC(=O)NC(C)(C)C)CC[C@H]1C[NH3+] ZINC000251839000 644826873 /nfs/dbraw/zinc/82/68/73/644826873.db2.gz QGXAUDIGTGGZKQ-QWRGUYRKSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)CC[C@H]1C[NH3+] ZINC000251922693 644830484 /nfs/dbraw/zinc/83/04/84/644830484.db2.gz YBXYSARATSPUSO-NEPJUHHUSA-N 2 0 239.363 0.526 20 0 BCADRP COCCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251912988 644830722 /nfs/dbraw/zinc/83/07/22/644830722.db2.gz XIEUFCWTLFVGJJ-MNOVXSKESA-N 2 0 200.326 0.940 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000834857631 645150149 /nfs/dbraw/zinc/15/01/49/645150149.db2.gz KKJPPXOMZOSJMP-BXKDBHETSA-N 2 0 243.326 0.192 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)C[NH3+] ZINC000841856519 645230503 /nfs/dbraw/zinc/23/05/03/645230503.db2.gz RCPUWSHRBXDPAH-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000841855869 645231217 /nfs/dbraw/zinc/23/12/17/645231217.db2.gz JFSBNNFIHLABPU-VHSXEESVSA-N 2 0 225.336 0.371 20 0 BCADRP CC1(C)CN(C(=O)C[C@@H]([NH3+])C2CC2)CC[NH2+]1 ZINC000841858130 645231250 /nfs/dbraw/zinc/23/12/50/645231250.db2.gz ZKLABAKXNMHWEC-SNVBAGLBSA-N 2 0 225.336 0.324 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC2(C1)OCCO2 ZINC000843060356 645256414 /nfs/dbraw/zinc/25/64/14/645256414.db2.gz VFMRFZTWLLMTMH-UHFFFAOYSA-N 2 0 226.320 0.435 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000843389006 645289038 /nfs/dbraw/zinc/28/90/38/645289038.db2.gz JBQUNAVISROPIT-GFCCVEGCSA-N 2 0 235.331 0.846 20 0 BCADRP CC(=O)NCC[N@H+](C)CCCCCCC[NH3+] ZINC000843391771 645289127 /nfs/dbraw/zinc/28/91/27/645289127.db2.gz ZNZPVYUFTOEYMP-UHFFFAOYSA-N 2 0 229.368 0.964 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCCCCCC[NH3+] ZINC000843506465 645293324 /nfs/dbraw/zinc/29/33/24/645293324.db2.gz VKKHCHPESQTSPN-UHFFFAOYSA-N 2 0 215.341 0.607 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@H]([NH3+])C1CC1 ZINC000843509516 645293870 /nfs/dbraw/zinc/29/38/70/645293870.db2.gz ZBOFSJLIJSITEL-NRPADANISA-N 2 0 213.325 0.356 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CCCCC[NH3+] ZINC000843509104 645294078 /nfs/dbraw/zinc/29/40/78/645294078.db2.gz WJNPPJDKMMVQTJ-UWVGGRQHSA-N 2 0 215.341 0.748 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NCCCCCC[NH3+] ZINC000843506569 645294124 /nfs/dbraw/zinc/29/41/24/645294124.db2.gz WOKSTMARXUCZOA-SNVBAGLBSA-N 2 0 229.368 0.995 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH2+]CC)C1 ZINC000844188637 645317269 /nfs/dbraw/zinc/31/72/69/645317269.db2.gz XZZOCPBSCITCGN-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP C[NH+](C)Cc1ccc(NC(=O)C[NH3+])cc1F ZINC000844187806 645317335 /nfs/dbraw/zinc/31/73/35/645317335.db2.gz LQIBQJNHBJZWOY-UHFFFAOYSA-N 2 0 225.267 0.785 20 0 BCADRP CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000844187054 645317361 /nfs/dbraw/zinc/31/73/61/645317361.db2.gz CAMXFFRVCRKDKR-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cnn(C)n1 ZINC000926665774 645343758 /nfs/dbraw/zinc/34/37/58/645343758.db2.gz LXNUMCVSHDIFHL-GARJFASQSA-N 2 0 237.351 0.806 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cnnn1C ZINC000926665649 645345911 /nfs/dbraw/zinc/34/59/11/645345911.db2.gz JQCGTWJHBZVIIJ-GARJFASQSA-N 2 0 237.351 0.806 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C/CO ZINC000926688368 645358772 /nfs/dbraw/zinc/35/87/72/645358772.db2.gz HQJVHSYPOGGZPT-ALPHMJAXSA-N 2 0 210.321 0.465 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC(CO)C1 ZINC000926733440 645391433 /nfs/dbraw/zinc/39/14/33/645391433.db2.gz TZVHOZCTUCETGA-FMNWTUGISA-N 2 0 224.348 0.687 20 0 BCADRP CNC(=[NH2+])NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000849023915 645447128 /nfs/dbraw/zinc/44/71/28/645447128.db2.gz LUAZRTZYLFNYHO-VIFPVBQESA-N 2 0 212.341 0.851 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCO ZINC000849023447 645447345 /nfs/dbraw/zinc/44/73/45/645447345.db2.gz VNKKSBJIJZISLB-LLVKDONJSA-N 2 0 242.367 0.357 20 0 BCADRP COC(=O)[C@@]1(F)CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000852753177 645488854 /nfs/dbraw/zinc/48/88/54/645488854.db2.gz AIKWNVBHFUNALY-ZYHUDNBSSA-N 2 0 244.310 0.573 20 0 BCADRP C[N@@H+]1CC[C@@H](N[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925488693 645520018 /nfs/dbraw/zinc/52/00/18/645520018.db2.gz VFKPCRZOIHPIDY-NEPJUHHUSA-N 2 0 223.364 0.955 20 0 BCADRP C[C@H](CN[C@@H]1CC[NH2+]C12CCC2)[NH+](C)C ZINC000925490133 645535336 /nfs/dbraw/zinc/53/53/36/645535336.db2.gz AUDMHUDFXKDRBA-GHMZBOCLSA-N 2 0 211.353 0.811 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CCOC(F)F ZINC000863554384 645704251 /nfs/dbraw/zinc/70/42/51/645704251.db2.gz YAHPRSBBMJGCIQ-UHFFFAOYSA-N 2 0 226.267 0.393 20 0 BCADRP CC(C)C[C@H](C[NH+](C)C)N[C@H]1C[NH2+]CCOC1 ZINC000925493781 645718475 /nfs/dbraw/zinc/71/84/75/645718475.db2.gz ZEVXOJNIUGIWQR-OLZOCXBDSA-N 2 0 243.395 0.541 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)[NH+](C)C ZINC000928436434 645759046 /nfs/dbraw/zinc/75/90/46/645759046.db2.gz GCJIPUCYEWADAZ-QJPTWQEYSA-N 2 0 241.379 0.781 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928453715 645777590 /nfs/dbraw/zinc/77/75/90/645777590.db2.gz YQPZSIXBPWANFY-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928453716 645778933 /nfs/dbraw/zinc/77/89/33/645778933.db2.gz YQPZSIXBPWANFY-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000877049678 645788946 /nfs/dbraw/zinc/78/89/46/645788946.db2.gz CZSRGSRQCOUDQY-WCABBAIRSA-N 2 0 225.336 0.384 20 0 BCADRP CC[C@@H](C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[NH+](C)C ZINC000877371830 645792874 /nfs/dbraw/zinc/79/28/74/645792874.db2.gz PALLUVYRYOIXEN-GMXVVIOVSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C[C@@H]([NH3+])C1CC1)C2 ZINC000877373537 645794823 /nfs/dbraw/zinc/79/48/23/645794823.db2.gz BMJBNQMTUQBUBQ-DMDPSCGWSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884269978 645871689 /nfs/dbraw/zinc/87/16/89/645871689.db2.gz DFVBHNCCPRAFHR-MXWKQRLJSA-N 2 0 239.363 0.346 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884269491 645872107 /nfs/dbraw/zinc/87/21/07/645872107.db2.gz PCMRLXYTUPKPIC-MIMYLULJSA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H](C)C[NH3+] ZINC000884251922 645872142 /nfs/dbraw/zinc/87/21/42/645872142.db2.gz WRTLUNSAVCSUSC-BDAKNGLRSA-N 2 0 215.341 0.459 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@H]1C[C@@]12CCOC2 ZINC000886839580 645891762 /nfs/dbraw/zinc/89/17/62/645891762.db2.gz HWDQSDCQHRMFPZ-VXGBXAGGSA-N 2 0 212.337 0.954 20 0 BCADRP C[N@H+](CCN[C@@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000925499674 645940093 /nfs/dbraw/zinc/94/00/93/645940093.db2.gz SGYRQWRIIBSHBU-GFCCVEGCSA-N 2 0 241.379 0.439 20 0 BCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C[C@@H](O)CO)C1 ZINC000929762597 646293838 /nfs/dbraw/zinc/29/38/38/646293838.db2.gz GMIGEVRJTGTORH-CHWSQXEVSA-N 2 0 242.363 0.003 20 0 BCADRP C[C@H](CN[C@H]1C[NH2+]CCOC1)[N@H+](C)C1CC1 ZINC000925496280 646301130 /nfs/dbraw/zinc/30/11/30/646301130.db2.gz PUYPHIULLNCUPO-MNOVXSKESA-N 2 0 227.352 0.047 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C[C@@H](O)CO)C[C@H]1C ZINC000929779145 646305295 /nfs/dbraw/zinc/30/52/95/646305295.db2.gz DUYZYUMDCAWYAI-IJLUTSLNSA-N 2 0 230.352 0.144 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCn1ccnc1 ZINC000925507488 646307861 /nfs/dbraw/zinc/30/78/61/646307861.db2.gz BYFWCIQIVJIWQH-MPEURRAXSA-N 2 0 234.347 0.989 20 0 BCADRP C[NH+]1CCC(N[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925511727 646309982 /nfs/dbraw/zinc/30/99/82/646309982.db2.gz SJMTXILOAXOPPL-NSHDSACASA-N 2 0 211.353 0.811 20 0 BCADRP CC[NH+]1CCC(N[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925516553 646310657 /nfs/dbraw/zinc/31/06/57/646310657.db2.gz VIOQBIXVVQCGEW-GFCCVEGCSA-N 2 0 227.352 0.049 20 0 BCADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)[C@H](C)O)C1 ZINC000929787694 646316681 /nfs/dbraw/zinc/31/66/81/646316681.db2.gz MJNIIHXGSQVADO-SRVKXCTJSA-N 2 0 230.352 0.002 20 0 BCADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)[C@H](C)O)C1 ZINC000929787693 646316754 /nfs/dbraw/zinc/31/67/54/646316754.db2.gz MJNIIHXGSQVADO-SDDRHHMPSA-N 2 0 230.352 0.002 20 0 BCADRP C(N[C@H]1C[NH2+]CCOC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000925537859 646321200 /nfs/dbraw/zinc/32/12/00/646321200.db2.gz ONOGTNKYXNDYHU-NEPJUHHUSA-N 2 0 239.363 0.049 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCN[C@H]1C[NH2+]CCOC1 ZINC000925552799 646328350 /nfs/dbraw/zinc/32/83/50/646328350.db2.gz ZOYMCFDFMSHSPZ-STQMWFEESA-N 2 0 241.379 0.439 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925553479 646328598 /nfs/dbraw/zinc/32/85/98/646328598.db2.gz SLKNMBNEYVNIBL-MDZLAQPJSA-N 2 0 239.363 0.047 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCN[C@@H]1C[NH2+]CCOC1 ZINC000925552798 646329526 /nfs/dbraw/zinc/32/95/26/646329526.db2.gz ZOYMCFDFMSHSPZ-QWHCGFSZSA-N 2 0 241.379 0.439 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCNc2cnccn2)C12CCC2 ZINC000925557940 646333884 /nfs/dbraw/zinc/33/38/84/646333884.db2.gz QTHGWTBBEUWROL-GHMZBOCLSA-N 2 0 247.346 0.748 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)C12CCC2 ZINC000925574516 646341418 /nfs/dbraw/zinc/34/14/18/646341418.db2.gz BUCCCSXDWROMJY-MVWJERBFSA-N 2 0 249.358 0.609 20 0 BCADRP CCn1cnnc1CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925575103 646341572 /nfs/dbraw/zinc/34/15/72/646341572.db2.gz UXVBEIMCINECDN-QWRGUYRKSA-N 2 0 249.362 0.700 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCN[C@H]1C[NH2+]CCOC1 ZINC000925577614 646344919 /nfs/dbraw/zinc/34/49/19/646344919.db2.gz PCIJZQWENFLLFR-NEPJUHHUSA-N 2 0 229.368 0.295 20 0 BCADRP CC[C@@H](CN[C@H]1C[NH2+]CCOC1)[NH+]1CCCC1 ZINC000925607332 646357413 /nfs/dbraw/zinc/35/74/13/646357413.db2.gz VIGKOEXOBIWJTD-STQMWFEESA-N 2 0 241.379 0.439 20 0 BCADRP CC[C@H](CN[C@@H]1C[NH2+]CCOC1)[NH+]1CCCC1 ZINC000925607329 646357865 /nfs/dbraw/zinc/35/78/65/646357865.db2.gz VIGKOEXOBIWJTD-CHWSQXEVSA-N 2 0 241.379 0.439 20 0 BCADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925618792 646364763 /nfs/dbraw/zinc/36/47/63/646364763.db2.gz JSAAYNJZFVMPEB-UPJWGTAASA-N 2 0 241.379 0.293 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCN[C@@H]1C[NH2+]CCOC1 ZINC000925624408 646370603 /nfs/dbraw/zinc/37/06/03/646370603.db2.gz XBGYIQLYFDZRRI-NWDGAFQWSA-N 2 0 227.352 0.049 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(O)CCOC1 ZINC000925625459 646372557 /nfs/dbraw/zinc/37/25/57/646372557.db2.gz FNKCOGVWEVDNNI-HNGCFSAESA-N 2 0 240.347 0.068 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)N[C@H]1C[NH2+]CCOC1 ZINC000925668423 646390272 /nfs/dbraw/zinc/39/02/72/646390272.db2.gz HDFUNAUXMWYPNP-STQMWFEESA-N 2 0 243.395 0.685 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925665389 646397638 /nfs/dbraw/zinc/39/76/38/646397638.db2.gz FPMGCHLZEBWHAS-WHOHXGKFSA-N 2 0 242.363 0.360 20 0 BCADRP COC[C@@H](O)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925665388 646398704 /nfs/dbraw/zinc/39/87/04/646398704.db2.gz FPMGCHLZEBWHAS-USZNOCQGSA-N 2 0 242.363 0.360 20 0 BCADRP C[C@@H](CCCCO)[NH2+][C@H]1CNCCOC1 ZINC000925677931 646407071 /nfs/dbraw/zinc/40/70/71/646407071.db2.gz ASQLFMOBFOHTRX-QWRGUYRKSA-N 2 0 216.325 0.116 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000925679852 646407545 /nfs/dbraw/zinc/40/75/45/646407545.db2.gz MXGPDVMWYKKBPG-DCAQKATOSA-N 2 0 239.363 0.761 20 0 BCADRP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925682627 646409012 /nfs/dbraw/zinc/40/90/12/646409012.db2.gz YTLSZXKVVITIGK-IJLUTSLNSA-N 2 0 242.363 0.768 20 0 BCADRP CO[C@@H]1COCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925682628 646409296 /nfs/dbraw/zinc/40/92/96/646409296.db2.gz YTLSZXKVVITIGK-QJPTWQEYSA-N 2 0 242.363 0.768 20 0 BCADRP C[NH2+]CCCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925690759 646416982 /nfs/dbraw/zinc/41/69/82/646416982.db2.gz LAGNUXQSXFNXAN-GRYCIOLGSA-N 2 0 225.380 0.962 20 0 BCADRP C(C[NH2+]C1CC1)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925691828 646418042 /nfs/dbraw/zinc/41/80/42/646418042.db2.gz KCRSKHYMCMKJHW-XZPDDHLCSA-N 2 0 221.348 0.324 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CC[NH2+]C1 ZINC000925694404 646419142 /nfs/dbraw/zinc/41/91/42/646419142.db2.gz UDZHUHRPAQARAD-UXGOBAPMSA-N 3 0 209.337 0.454 20 0 BCADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC[NH2+]CC1)[NH2+]2 ZINC000925694410 646419422 /nfs/dbraw/zinc/41/94/22/646419422.db2.gz UINSUYFGNVQRDI-FTYKPCCVSA-N 2 0 223.364 0.857 20 0 BCADRP C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@@H]1CCC[NH2+]1 ZINC000925695318 646419885 /nfs/dbraw/zinc/41/98/85/646419885.db2.gz VREMMOSEHDQRCY-RJRAAQABSA-N 2 0 221.348 0.324 20 0 BCADRP COCC[NH2+]CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925696895 646421083 /nfs/dbraw/zinc/42/10/83/646421083.db2.gz BSOFHJMOUIYPNC-QWRGUYRKSA-N 2 0 227.352 0.082 20 0 BCADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CCC[NH2+]C1)[NH2+]2 ZINC000925700208 646422881 /nfs/dbraw/zinc/42/28/81/646422881.db2.gz NQQPCDDRZNTCEB-KIJLLGNVSA-N 2 0 223.364 0.857 20 0 BCADRP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C2(C)C)CC[NH2+]1 ZINC000925700240 646422990 /nfs/dbraw/zinc/42/29/90/646422990.db2.gz OHOZRDYFLJFZOI-MXWKQRLJSA-N 2 0 211.353 0.857 20 0 BCADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C2(C)C)CC[NH2+]1 ZINC000925700239 646423216 /nfs/dbraw/zinc/42/32/16/646423216.db2.gz OHOZRDYFLJFZOI-GMTAPVOTSA-N 2 0 211.353 0.857 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000925700309 646423529 /nfs/dbraw/zinc/42/35/29/646423529.db2.gz PGGYVPHIBDKPCF-DCAQKATOSA-N 2 0 211.353 0.986 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925699215 646423878 /nfs/dbraw/zinc/42/38/78/646423878.db2.gz JDVWNSIXHXMBGL-YFKTTZPYSA-N 2 0 223.364 0.986 20 0 BCADRP [NH3+]CC1(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925702616 646424969 /nfs/dbraw/zinc/42/49/69/646424969.db2.gz PCQUJNPZHYDOIJ-WDEREUQCSA-N 3 0 223.364 0.975 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1)[NH2+]2 ZINC000925702008 646425283 /nfs/dbraw/zinc/42/52/83/646425283.db2.gz JFLZKVJHSRBTOG-PQTSNVLCSA-N 2 0 237.347 0.369 20 0 BCADRP C[C@@H]1NCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000925702494 646425474 /nfs/dbraw/zinc/42/54/74/646425474.db2.gz AOXCRBMILAQSDJ-QCNOEVLYSA-N 2 0 211.353 0.844 20 0 BCADRP CC[NH2+][C@H](C)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925700859 646425759 /nfs/dbraw/zinc/42/57/59/646425759.db2.gz SUULYDDSMYALRS-GHMZBOCLSA-N 2 0 211.353 0.859 20 0 BCADRP C1[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C12CC[NH2+]CC2 ZINC000925703633 646427204 /nfs/dbraw/zinc/42/72/04/646427204.db2.gz DNMBMDVLLDIPCE-SNIKSBKOSA-N 3 0 247.386 0.715 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925702638 646427619 /nfs/dbraw/zinc/42/76/19/646427619.db2.gz QAQFVQDOJFLUIF-CLYJXRMCSA-N 3 0 249.402 0.913 20 0 BCADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CNCCO2)C[C@@H]([NH3+])C1 ZINC000925704007 646429215 /nfs/dbraw/zinc/42/92/15/646429215.db2.gz FSHGCBAJXSEIIP-GRYCIOLGSA-N 2 0 241.379 0.470 20 0 BCADRP C[C@H]([NH3+])[C@H](NC[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000925706192 646430436 /nfs/dbraw/zinc/43/04/36/646430436.db2.gz MKZOEVPOKMOIAG-UBHSHLNASA-N 2 0 249.358 0.653 20 0 BCADRP C[C@H]([NH3+])[C@@H](NC[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000925706187 646431220 /nfs/dbraw/zinc/43/12/20/646431220.db2.gz MKZOEVPOKMOIAG-FPMFFAJLSA-N 2 0 249.358 0.653 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@H](N[C@H]2CC[NH2+]C2)C1 ZINC000925708004 646432311 /nfs/dbraw/zinc/43/23/11/646432311.db2.gz AZVIPZCSZBGMSG-DCAQKATOSA-N 2 0 211.353 0.844 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000925708589 646433063 /nfs/dbraw/zinc/43/30/63/646433063.db2.gz MLWFCPYFQPJBMA-IFDBITJCSA-N 2 0 241.354 0.792 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925711849 646435822 /nfs/dbraw/zinc/43/58/22/646435822.db2.gz SRTSVHGUKZYKCI-JIMTYQMOSA-N 3 0 223.364 0.700 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925711850 646436039 /nfs/dbraw/zinc/43/60/39/646436039.db2.gz SRTSVHGUKZYKCI-KQAFNVIJSA-N 3 0 223.364 0.700 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC[C@H]1C[NH2+]CCCO1 ZINC000925712841 646438440 /nfs/dbraw/zinc/43/84/40/646438440.db2.gz VPJJIRHLZGCBCW-GHMZBOCLSA-N 2 0 227.352 0.095 20 0 BCADRP COC[C@H](CC[NH2+][C@H]1CC[NH2+]C1(C)C)OC ZINC000925714776 646438716 /nfs/dbraw/zinc/43/87/16/646438716.db2.gz WNXYPCHDMLGMPU-QWRGUYRKSA-N 2 0 230.352 0.768 20 0 BCADRP [NH3+]C1(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCCC1 ZINC000925713291 646439360 /nfs/dbraw/zinc/43/93/60/646439360.db2.gz UJJZHUJPQLJPAW-JZRPKSSGSA-N 2 0 235.375 0.844 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000925716703 646441380 /nfs/dbraw/zinc/44/13/80/646441380.db2.gz GCQDALQSVSQGIZ-NWDGAFQWSA-N 3 0 243.395 0.847 20 0 BCADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1)[NH2+]2 ZINC000925718454 646443209 /nfs/dbraw/zinc/44/32/09/646443209.db2.gz JFLZKVJHSRBTOG-DCHHYWPUSA-N 2 0 237.347 0.369 20 0 BCADRP [NH3+]CCCOCCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925719364 646444705 /nfs/dbraw/zinc/44/47/05/646444705.db2.gz SVUIUTDUWFCQKH-LBPRGKRZSA-N 2 0 241.379 0.616 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925718945 646444807 /nfs/dbraw/zinc/44/48/07/646444807.db2.gz KOXUMLCTLNFJIR-RYUDHWBXSA-N 3 0 243.395 0.718 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1COCCN1 ZINC000925719370 646444877 /nfs/dbraw/zinc/44/48/77/646444877.db2.gz SXHHYOWNKXRCKM-SZQBSXBZSA-N 2 0 239.363 0.080 20 0 BCADRP C[C@H]([NH3+])[C@@H](NC[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000925720535 646445798 /nfs/dbraw/zinc/44/57/98/646445798.db2.gz YPZHMJPVBHWXDH-IACUBPJLSA-N 2 0 249.358 0.653 20 0 BCADRP [NH3+]C1(CN[C@@H]2CC[NH2+]C23CCC3)CCOCC1 ZINC000925721409 646446113 /nfs/dbraw/zinc/44/61/13/646446113.db2.gz ZUMJBIYULISACQ-LLVKDONJSA-N 2 0 239.363 0.369 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925726966 646452002 /nfs/dbraw/zinc/45/20/02/646452002.db2.gz MERRBGXJKKGQAB-GMTAPVOTSA-N 3 0 209.337 0.598 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925726541 646452011 /nfs/dbraw/zinc/45/20/11/646452011.db2.gz UCFVGCGIJZYEIZ-NEPJUHHUSA-N 2 0 241.379 0.343 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925726964 646452068 /nfs/dbraw/zinc/45/20/68/646452068.db2.gz MERRBGXJKKGQAB-AXFHLTTASA-N 3 0 209.337 0.598 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925726553 646452554 /nfs/dbraw/zinc/45/25/54/646452554.db2.gz JLFURXDROLOGPZ-IJLUTSLNSA-N 3 0 223.364 0.988 20 0 BCADRP CC(C)([NH3+])CC[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000925736955 646460396 /nfs/dbraw/zinc/46/03/96/646460396.db2.gz LSLFNMDJBFKZTB-NWDGAFQWSA-N 2 0 241.379 0.470 20 0 BCADRP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)C1CC[NH+](C)CC1 ZINC000925785956 646463714 /nfs/dbraw/zinc/46/37/14/646463714.db2.gz MNBDACSGGBFCOU-NQBHXWOUSA-N 3 0 225.380 0.914 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NCc1cc(N)cc[nH+]1 ZINC000925765703 646467175 /nfs/dbraw/zinc/46/71/75/646467175.db2.gz CQFCPRFOZOHIQQ-RKDXNWHRSA-N 2 0 208.309 0.879 20 0 BCADRP Nc1cc[nH+]c(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1 ZINC000925768778 646470046 /nfs/dbraw/zinc/47/00/46/646470046.db2.gz XCPCDNLSNCUPPJ-WESMLRFZSA-N 2 0 244.342 0.750 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]CCN1CCNC1=O ZINC000925775888 646475144 /nfs/dbraw/zinc/47/51/44/646475144.db2.gz BTJULNGFQGSVLC-JTQLQIEISA-N 2 0 228.340 0.119 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000925782218 646478716 /nfs/dbraw/zinc/47/87/16/646478716.db2.gz ISHVVKJPPCSIPZ-DDHJBXDOSA-N 2 0 211.353 0.667 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925798632 646487314 /nfs/dbraw/zinc/48/73/14/646487314.db2.gz MBIZSWVZHMDXTP-KXUCPTDWSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@H]1COCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925811957 646490596 /nfs/dbraw/zinc/49/05/96/646490596.db2.gz LHECEIBSKGAMFW-WCQYABFASA-N 2 0 241.379 0.424 20 0 BCADRP COC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)C(C)C ZINC000925812619 646491064 /nfs/dbraw/zinc/49/10/64/646491064.db2.gz XFCZHWXMZZFWHP-CYBMUJFWSA-N 2 0 243.395 0.670 20 0 BCADRP C[C@@H](NCCN1CCC([NH3+])CC1)[C@H]1CCC[NH2+]1 ZINC000925816405 646491645 /nfs/dbraw/zinc/49/16/45/646491645.db2.gz GOCCUGIWBBLLIG-DGCLKSJQSA-N 2 0 240.395 0.140 20 0 BCADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)[C@H]1CCCO1 ZINC000925813805 646492793 /nfs/dbraw/zinc/49/27/93/646492793.db2.gz ZEMIVSJJHTUNRD-WCQYABFASA-N 2 0 241.379 0.567 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817741 646493459 /nfs/dbraw/zinc/49/34/59/646493459.db2.gz WHJHLHYALAEEAO-DGCLKSJQSA-N 3 0 240.395 0.127 20 0 BCADRP CCN1CCC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1=O ZINC000925828169 646499436 /nfs/dbraw/zinc/49/94/36/646499436.db2.gz VOAYGQJTXGRQIF-VWYCJHECSA-N 2 0 227.352 0.713 20 0 BCADRP Cc1cc(CC[NH2+][C@H](C)C2C[NH2+]C2)nn1C ZINC000925835013 646502622 /nfs/dbraw/zinc/50/26/22/646502622.db2.gz PTLLACAJXXWYFG-SNVBAGLBSA-N 2 0 222.336 0.469 20 0 BCADRP C[C@H]([NH2+]CC[C@@H]1CNC(=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000925836985 646504038 /nfs/dbraw/zinc/50/40/38/646504038.db2.gz AQNLSNBYKHLPAD-SRVKXCTJSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@H]1CNC(=O)C1 ZINC000925841118 646506855 /nfs/dbraw/zinc/50/68/55/646506855.db2.gz ZOYNTKXKOSIPAR-IJLUTSLNSA-N 2 0 239.363 0.490 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@@H]2CNOC2)C1 ZINC000925860593 646513191 /nfs/dbraw/zinc/51/31/91/646513191.db2.gz SDQQVJATFGPDNI-IVZWLZJFSA-N 2 0 213.325 0.385 20 0 BCADRP CC1(C)C[C@@H]([NH2+][C@H]2CNOC2)C[C@@H]([NH3+])C1 ZINC000925865843 646518290 /nfs/dbraw/zinc/51/82/90/646518290.db2.gz SDQQVJATFGPDNI-UTLUCORTSA-N 2 0 213.325 0.385 20 0 BCADRP CCOCCOCC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000925874422 646525475 /nfs/dbraw/zinc/52/54/75/646525475.db2.gz JMLSSWROJBHSPY-JTQLQIEISA-N 2 0 216.325 0.237 20 0 BCADRP CCOCCOCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000925875153 646525725 /nfs/dbraw/zinc/52/57/25/646525725.db2.gz PMNMLDUAJJWOND-WDEREUQCSA-N 2 0 218.341 0.755 20 0 BCADRP CCOCCOCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000925874373 646525969 /nfs/dbraw/zinc/52/59/69/646525969.db2.gz IXCVOOKRVTVYLJ-LBPRGKRZSA-N 2 0 230.352 0.771 20 0 BCADRP [NH3+][C@@H]1C[C@H]([NH2+]CCO[C@@H]2CCOC2)C12CCC2 ZINC000925876163 646526050 /nfs/dbraw/zinc/52/60/50/646526050.db2.gz XXTVAJGNHQOCNC-UTUOFQBUSA-N 2 0 240.347 0.651 20 0 BCADRP CCOCCOCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000925875152 646526689 /nfs/dbraw/zinc/52/66/89/646526689.db2.gz PMNMLDUAJJWOND-QWRGUYRKSA-N 2 0 218.341 0.755 20 0 BCADRP C[C@@H]([NH2+]CCOC1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000925878273 646527362 /nfs/dbraw/zinc/52/73/62/646527362.db2.gz UCAARNOBZPWHMD-NEPJUHHUSA-N 2 0 242.363 0.770 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000925877415 646527621 /nfs/dbraw/zinc/52/76/21/646527621.db2.gz IAFPBVUZHUGPEB-YPMHNXCESA-N 2 0 242.363 0.899 20 0 BCADRP C[C@H](C[C@H]1COCCN1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879681 646529509 /nfs/dbraw/zinc/52/95/09/646529509.db2.gz IFIVICRNVDPTKJ-NDBYEHHHSA-N 2 0 241.379 0.470 20 0 BCADRP C[C@@H](C[C@H]1COCCN1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879683 646529566 /nfs/dbraw/zinc/52/95/66/646529566.db2.gz IFIVICRNVDPTKJ-RNJOBUHISA-N 2 0 241.379 0.470 20 0 BCADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H](N[C@H]2CC[NH2+]C2)C1 ZINC000925881234 646531713 /nfs/dbraw/zinc/53/17/13/646531713.db2.gz GNGYIVMRTWPOLN-SOUVJXGZSA-N 2 0 245.370 0.997 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](O)c1ccnn1C ZINC000925888882 646533819 /nfs/dbraw/zinc/53/38/19/646533819.db2.gz GGJGGJWVMRATCM-CMPLNLGQSA-N 2 0 240.351 0.561 20 0 BCADRP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000926451360 646642282 /nfs/dbraw/zinc/64/22/82/646642282.db2.gz YXYKKTYGSQLGAH-LNLATYFQSA-N 2 0 221.304 0.892 20 0 BCADRP COC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723893933 711544205 /nfs/dbraw/zinc/54/42/05/711544205.db2.gz GPNHMFAUMJSHNB-RKDXNWHRSA-N 2 0 200.282 0.076 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)C[C@H]1CC[NH3+] ZINC000723909442 711544850 /nfs/dbraw/zinc/54/48/50/711544850.db2.gz OLYMYBCWYNNIIU-IWSPIJDZSA-N 2 0 240.269 0.826 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000892099606 711574721 /nfs/dbraw/zinc/57/47/21/711574721.db2.gz SRZACYQJWXCYPG-OPRDCNLKSA-N 2 0 228.340 0.116 20 0 BCADRP [NH3+]C1CC[NH+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC000724555735 711589777 /nfs/dbraw/zinc/58/97/77/711589777.db2.gz DVBZEUMGLMQEOW-DLOVCJGASA-N 2 0 226.320 0.213 20 0 BCADRP [NH3+]C1(C[NH2+]C[C@@H]2C[C@@H]3COC[C@H]3O2)CCC1 ZINC000724578344 711594525 /nfs/dbraw/zinc/59/45/25/711594525.db2.gz XECRPINCXPYUER-OUAUKWLOSA-N 2 0 226.320 0.261 20 0 BCADRP C[C@]1(C[NH3+])CC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724914138 711627432 /nfs/dbraw/zinc/62/74/32/711627432.db2.gz JGMZBHJEWQXMMM-NWDGAFQWSA-N 2 0 228.336 0.463 20 0 BCADRP CC(C)S(=O)(=O)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000309500247 711686990 /nfs/dbraw/zinc/68/69/90/711686990.db2.gz ZYRKBONZFHYFKH-QWRGUYRKSA-N 2 0 248.392 0.669 20 0 BCADRP CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000722150250 711712121 /nfs/dbraw/zinc/71/21/21/711712121.db2.gz UDHZZRJOOYEEDY-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724468 711893612 /nfs/dbraw/zinc/89/36/12/711893612.db2.gz QOSFJUPIPUAASI-GHMZBOCLSA-N 2 0 216.325 0.055 20 0 BCADRP COC[C@@H](C[N@@H+]1CCCO[C@H](C[NH3+])C1)C(C)C ZINC000721918708 711920104 /nfs/dbraw/zinc/92/01/04/711920104.db2.gz LLZOGXYBOYVJDF-CHWSQXEVSA-N 2 0 244.379 0.955 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000131863785 711949585 /nfs/dbraw/zinc/94/95/85/711949585.db2.gz CVMQUVZGLISJAB-OPRDCNLKSA-N 2 0 245.392 0.276 20 0 BCADRP C[C@@H](CNC1=[NH+]CCCCN1)[NH+]1CCCC1 ZINC000700238863 711988276 /nfs/dbraw/zinc/98/82/76/711988276.db2.gz ZLMBMQCCGVJVNA-NSHDSACASA-N 2 0 224.352 0.800 20 0 BCADRP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000702621891 712056660 /nfs/dbraw/zinc/05/66/60/712056660.db2.gz CYXQKTJINRBHFO-JHJVBQTASA-N 2 0 242.363 0.458 20 0 BCADRP C[N@H+](C[C@@H]1CCCC[NH2+]C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000703489756 712077482 /nfs/dbraw/zinc/07/74/82/712077482.db2.gz LTWCWDYPRRSRGM-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708060992 712180047 /nfs/dbraw/zinc/18/00/47/712180047.db2.gz AYZJHZQQONHPHK-WRWGMCAJSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H]1CO[C@H](CO)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000709508082 712223558 /nfs/dbraw/zinc/22/35/58/712223558.db2.gz IDQKTECSQIKMRS-AAEUAGOBSA-N 2 0 242.363 0.410 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709996683 712238801 /nfs/dbraw/zinc/23/88/01/712238801.db2.gz OPAJTMLDZAFBRH-QWHCGFSZSA-N 2 0 242.363 0.459 20 0 BCADRP CN(CCCCCC[NH3+])Cc1cnn(C)n1 ZINC000710729063 712255624 /nfs/dbraw/zinc/25/56/24/712255624.db2.gz GSMCEJHADWUAJB-UHFFFAOYSA-N 2 0 225.340 0.766 20 0 BCADRP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000710965442 712269456 /nfs/dbraw/zinc/26/94/56/712269456.db2.gz VDFPCTRYMWNRPW-LMLFDSFASA-N 2 0 210.321 0.881 20 0 BCADRP COC1(OC)CC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000710986510 712271542 /nfs/dbraw/zinc/27/15/42/712271542.db2.gz DWIOMSVAGVPYDX-LBPRGKRZSA-N 2 0 240.347 0.989 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000711309535 712293698 /nfs/dbraw/zinc/29/36/98/712293698.db2.gz HLNUSGAYAVHZQE-VQXHTEKXSA-N 2 0 239.363 0.618 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711384522 712298163 /nfs/dbraw/zinc/29/81/63/712298163.db2.gz IITDJJHVDADLBF-NSHDSACASA-N 2 0 241.379 0.690 20 0 BCADRP CC[NH2+]CC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715519293 712524961 /nfs/dbraw/zinc/52/49/61/712524961.db2.gz RRBFMOUVCIPXAS-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000037117220 712545851 /nfs/dbraw/zinc/54/58/51/712545851.db2.gz MTSKKVYZLYMFFO-NSHDSACASA-N 2 0 225.336 0.339 20 0 BCADRP NC(=O)C[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)C1CCCC1 ZINC000379906484 712624056 /nfs/dbraw/zinc/62/40/56/712624056.db2.gz KKOUFUQPFRAAHR-WDEREUQCSA-N 2 0 239.363 0.844 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)C1CCCC1 ZINC000037482564 712648347 /nfs/dbraw/zinc/64/83/47/712648347.db2.gz LOEKNIWUHCBHOT-UHFFFAOYSA-N 2 0 211.353 0.766 20 0 BCADRP CC(C)C(=O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000380002480 712651632 /nfs/dbraw/zinc/65/16/32/712651632.db2.gz KKRFNNLBLJTPML-PHIMTYICSA-N 2 0 210.321 0.753 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000380090119 712685630 /nfs/dbraw/zinc/68/56/30/712685630.db2.gz GNYTZPCIMLVORW-AVGNSLFASA-N 2 0 241.379 0.112 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000389681767 712689900 /nfs/dbraw/zinc/68/99/00/712689900.db2.gz XWTWXLGQEWEXNQ-RYUDHWBXSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720898771 712874926 /nfs/dbraw/zinc/87/49/26/712874926.db2.gz LDQCHINXUBFPQF-YFKTTZPYSA-N 2 0 239.363 0.665 20 0 BCADRP C[NH2+]CCCN1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720899768 712874935 /nfs/dbraw/zinc/87/49/35/712874935.db2.gz MVQMXFBRXHAOHS-VXGBXAGGSA-N 2 0 211.353 0.764 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720896706 712876592 /nfs/dbraw/zinc/87/65/92/712876592.db2.gz DHSIGCVARHPOKH-GRYCIOLGSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720895503 712876597 /nfs/dbraw/zinc/87/65/97/712876597.db2.gz XWGJZHOOZNRBSB-OPRDCNLKSA-N 2 0 211.309 0.029 20 0 BCADRP CCCN(C(=O)C[NH2+]CC)[C@H]1CC[NH2+]C1 ZINC000381480722 710643376 /nfs/dbraw/zinc/64/33/76/710643376.db2.gz DDUABFYCERKQMM-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039028043 710717370 /nfs/dbraw/zinc/71/73/70/710717370.db2.gz LZKYIVLIBMDYPU-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000723548348 710727750 /nfs/dbraw/zinc/72/77/50/710727750.db2.gz UCYXFCMNFLJLSB-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)[C@@H]1CCC[NH2+]1 ZINC000723600047 710728527 /nfs/dbraw/zinc/72/85/27/710728527.db2.gz PKDORBKJVKCCLR-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)[C@H]1CCC[NH2+]1 ZINC000723600040 710728986 /nfs/dbraw/zinc/72/89/86/710728986.db2.gz PKDORBKJVKCCLR-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCO[C@H]1CCOC1 ZINC000724921487 710749378 /nfs/dbraw/zinc/74/93/78/710749378.db2.gz LTGPIVLIDNFEOC-OLZOCXBDSA-N 2 0 242.363 0.995 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1COCC[C@H]1OC ZINC000724898723 710749648 /nfs/dbraw/zinc/74/96/48/710749648.db2.gz FJERBLLPSSXBDN-QJPTWQEYSA-N 2 0 246.351 0.134 20 0 BCADRP C[C@@H]1C[N@H+](CCO[C@@H]2CCOC2)CC[C@H]1C[NH3+] ZINC000724995987 710753471 /nfs/dbraw/zinc/75/34/71/710753471.db2.gz XSZCSKLWKMOMGU-FRRDWIJNSA-N 2 0 242.363 0.709 20 0 BCADRP CC[C@H](O)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000382046290 710767839 /nfs/dbraw/zinc/76/78/39/710767839.db2.gz KSQVGSCIMRIWMD-LIBFEPKXSA-N 2 0 224.348 0.733 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000385010352 711002890 /nfs/dbraw/zinc/00/28/90/711002890.db2.gz XRUUXXHKVMFZTE-QWRGUYRKSA-N 2 0 230.352 0.565 20 0 BCADRP C[C@H]1C[N@H+](CC(=O)NC2CC2)CC[C@@H]1C[NH3+] ZINC000133092513 710968215 /nfs/dbraw/zinc/96/82/15/710968215.db2.gz SRKDFMAGSNMQQL-VHSXEESVSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H](CO)CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000383298598 710980243 /nfs/dbraw/zinc/98/02/43/710980243.db2.gz LKUYRFBQZYPGCG-SNIKSBKOSA-N 2 0 238.375 0.981 20 0 BCADRP O=C(CN1C[C@@H]2CC[NH2+]C[C@@H]2C1)NCC1CC1 ZINC000383462558 710981155 /nfs/dbraw/zinc/98/11/55/710981155.db2.gz JRAXKDBLPWZWBI-NWDGAFQWSA-N 2 0 237.347 0.054 20 0 BCADRP C[C@H](Cn1ccnc1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000385592547 711014449 /nfs/dbraw/zinc/01/44/49/711014449.db2.gz IXTCZSXDUKYOKK-BBMNEWJDSA-N 2 0 246.358 0.858 20 0 BCADRP CC1CC[NH+](CCNC2=[NH+]CCCN2C)CC1 ZINC000386591386 711033544 /nfs/dbraw/zinc/03/35/44/711033544.db2.gz RIJSBTMYPTYESN-UHFFFAOYSA-N 2 0 238.379 0.999 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC1=[NH+]CCCN1C ZINC000386599278 711033964 /nfs/dbraw/zinc/03/39/64/711033964.db2.gz UGBAGDHZOWQHCN-NSHDSACASA-N 2 0 224.352 0.752 20 0 BCADRP CC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@@H](C)O ZINC000386691523 711034912 /nfs/dbraw/zinc/03/49/12/711034912.db2.gz KLKRHQSBVGFXCB-AAOYHXPRSA-N 2 0 224.348 0.732 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C[NH2+]CC)C1 ZINC000389170774 711072486 /nfs/dbraw/zinc/07/24/86/711072486.db2.gz NUSLUNWQUXDELM-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000389338653 711077258 /nfs/dbraw/zinc/07/72/58/711077258.db2.gz PLOXQKBMFZYHIL-LBPRGKRZSA-N 2 0 212.337 0.785 20 0 BCADRP Cc1n[nH]c(CC[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000392378662 711144072 /nfs/dbraw/zinc/14/40/72/711144072.db2.gz QGPQMUWEYGBBKW-UHFFFAOYSA-N 2 0 237.351 0.587 20 0 BCADRP CC(=O)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000390607097 711127950 /nfs/dbraw/zinc/12/79/50/711127950.db2.gz YDXCIZCETJPHQC-NEPJUHHUSA-N 2 0 225.336 0.278 20 0 BCADRP [NH3+]CCCCCC(=O)NCC[N@H+]1CC=CCC1 ZINC000392805929 711151326 /nfs/dbraw/zinc/15/13/26/711151326.db2.gz CCBJUYJZCOFFPG-UHFFFAOYSA-N 2 0 239.363 0.884 20 0 BCADRP C[C@H](CC[NH+](C)C)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000392873017 711153111 /nfs/dbraw/zinc/15/31/11/711153111.db2.gz DVJHYAMLYFAZIM-BBMNEWJDSA-N 2 0 237.391 0.913 20 0 BCADRP Cc1cc(NCC[N@H+]2CC=CCC2)nc(N)[nH+]1 ZINC000392880402 711153606 /nfs/dbraw/zinc/15/36/06/711153606.db2.gz NVBWMFOKIQDWLN-UHFFFAOYSA-N 2 0 233.319 0.293 20 0 BCADRP CO[C@H](C)CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000392889510 711154159 /nfs/dbraw/zinc/15/41/59/711154159.db2.gz SFECEOFMTZUWMC-KQAFNVIJSA-N 2 0 224.348 0.997 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[C@H]([NH+](C)C)[C@H]1C ZINC000393823715 711177491 /nfs/dbraw/zinc/17/74/91/711177491.db2.gz BFZOQZVGVWSSAS-AGIUHOORSA-N 2 0 243.395 0.323 20 0 BCADRP NC(=O)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000393913712 711177953 /nfs/dbraw/zinc/17/79/53/711177953.db2.gz XBTPIUUGQRPJEJ-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000394953739 711199943 /nfs/dbraw/zinc/19/99/43/711199943.db2.gz OOHUSFPHENIBFQ-MWLCHTKSSA-N 2 0 225.336 0.337 20 0 BCADRP CC(C)OC[C@H](O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000395039259 711201152 /nfs/dbraw/zinc/20/11/52/711201152.db2.gz SHUCSOBZYCJNNQ-NDBYEHHHSA-N 2 0 242.363 0.264 20 0 BCADRP CC[C@@H]1C[N@@H+](C(COC)COC)CC[C@H]1[NH3+] ZINC000395339120 711208474 /nfs/dbraw/zinc/20/84/74/711208474.db2.gz ARNBANXJCXOXEO-ZYHUDNBSSA-N 2 0 230.352 0.707 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NCCOCC[NH+](C)C ZINC000396587812 711356699 /nfs/dbraw/zinc/35/66/99/711356699.db2.gz AYOOATVLPUPGEK-RYUDHWBXSA-N 2 0 229.368 0.295 20 0 BCADRP COc1cc(CN2CC[C@H](C[NH3+])C2)sn1 ZINC000399028817 711418655 /nfs/dbraw/zinc/41/86/55/711418655.db2.gz IWJQQVFKSKSYEE-MRVPVSSYSA-N 2 0 227.333 0.932 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCOC[C@H](C)C1 ZINC000399284003 711425409 /nfs/dbraw/zinc/42/54/09/711425409.db2.gz VEVHMPKUFPNHPS-UTUOFQBUSA-N 2 0 212.337 0.810 20 0 BCADRP C[C@@H]1COCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000399332187 711427659 /nfs/dbraw/zinc/42/76/59/711427659.db2.gz VNZVYPBNZHOISE-RYUDHWBXSA-N 2 0 212.337 0.954 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(C)C1CCC([NH3+])CC1 ZINC000381034948 710596549 /nfs/dbraw/zinc/59/65/49/710596549.db2.gz BCKIYWIKUYHEOT-IDKOKCKLSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H](CCO)[NH2+]CCCC[NH+]1CCOCC1 ZINC000381129080 710603333 /nfs/dbraw/zinc/60/33/33/710603333.db2.gz KFACQVKFYOHRMV-LBPRGKRZSA-N 2 0 230.352 0.459 20 0 BCADRP C[C@H](CCO)[NH2+]CCCC[NH+]1CCOCC1 ZINC000381129078 710603426 /nfs/dbraw/zinc/60/34/26/710603426.db2.gz KFACQVKFYOHRMV-GFCCVEGCSA-N 2 0 230.352 0.459 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000381478082 710643606 /nfs/dbraw/zinc/64/36/06/710643606.db2.gz BBLWLXRFJIACBA-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000383035324 710841605 /nfs/dbraw/zinc/84/16/05/710841605.db2.gz FMKRPXVAQZEKKN-VTAXGKEESA-N 2 0 236.359 0.997 20 0 BCADRP Cn1cncc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000384261360 710844483 /nfs/dbraw/zinc/84/44/83/710844483.db2.gz ONBKBZLLAJRNCA-MWLCHTKSSA-N 2 0 208.309 0.637 20 0 BCADRP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@@H]1CCCOC1 ZINC000383256391 710978956 /nfs/dbraw/zinc/97/89/56/710978956.db2.gz FQDPRHNPPMPDTG-SNIKSBKOSA-N 2 0 236.359 0.999 20 0 BCADRP COCC(COC)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000384974215 711001501 /nfs/dbraw/zinc/00/15/01/711001501.db2.gz PTRBVVMQPALEEA-AAEUAGOBSA-N 2 0 242.363 0.709 20 0 BCADRP COCC(COC)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000384965219 711001603 /nfs/dbraw/zinc/00/16/03/711001603.db2.gz OFGAMUIKFRXDCC-UHFFFAOYSA-N 2 0 242.363 0.723 20 0 BCADRP COCC(COC)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000385008636 711003024 /nfs/dbraw/zinc/00/30/24/711003024.db2.gz XGSRWIZJBSYNFU-CYZMBNFOSA-N 2 0 242.363 0.707 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC2=[NH+]CCCN2C)C1 ZINC000386572152 711032404 /nfs/dbraw/zinc/03/24/04/711032404.db2.gz LZOYHUKTWHREFD-NSHDSACASA-N 2 0 224.352 0.609 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397303486 711381161 /nfs/dbraw/zinc/38/11/61/711381161.db2.gz LNPRTAJHDVKVOR-QNWHQSFQSA-N 2 0 244.379 0.689 20 0 BCADRP CC[C@@H]1C[C@H]1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000723103592 711502706 /nfs/dbraw/zinc/50/27/06/711502706.db2.gz PPURWYRHGXNQDF-MNOVXSKESA-N 2 0 212.337 0.818 20 0 BCADRP CC[C@@H]1CN(C(=O)C[C@@H](C)[NH3+])CC[C@@H]1[NH3+] ZINC000390435392 711512324 /nfs/dbraw/zinc/51/23/24/711512324.db2.gz RSUASJOANFWXAL-BBBLOLIVSA-N 2 0 213.325 0.310 20 0 BCADRP COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723684399 711533722 /nfs/dbraw/zinc/53/37/22/711533722.db2.gz XFGHEZOXBXINFQ-RKDXNWHRSA-N 2 0 200.282 0.219 20 0 BCADRP C[C@@H]1C[N@H+](CCc2cn[nH]c2)C[C@H]1CC[NH3+] ZINC000723882354 711543266 /nfs/dbraw/zinc/54/32/66/711543266.db2.gz HCLKZCNVOCGWLJ-ZYHUDNBSSA-N 2 0 222.336 0.869 20 0 BCADRP COC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723894862 711544090 /nfs/dbraw/zinc/54/40/90/711544090.db2.gz PVZIJJBUHFBUKF-OUAUKWLOSA-N 2 0 200.326 0.938 20 0 BCADRP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723890859 711544148 /nfs/dbraw/zinc/54/41/48/711544148.db2.gz IVDPABFGMOQPLE-VXGBXAGGSA-N 2 0 241.379 0.772 20 0 BCADRP CCS(=O)(=O)CC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723910557 711544667 /nfs/dbraw/zinc/54/46/67/711544667.db2.gz VKFFKNCKRRDAOL-GHMZBOCLSA-N 2 0 248.392 0.338 20 0 BCADRP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723900126 711545134 /nfs/dbraw/zinc/54/51/34/711545134.db2.gz ITIRFBSUYRFXQF-NXEZZACHSA-N 2 0 213.325 0.039 20 0 BCADRP CCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000133081563 711558957 /nfs/dbraw/zinc/55/89/57/711558957.db2.gz DKQZCWUTVYWOEY-ZJUUUORDSA-N 2 0 213.325 0.039 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NC2CC[NH2+]CC2)C1 ZINC000891962727 711562005 /nfs/dbraw/zinc/56/20/05/711562005.db2.gz XJNWPRSFFRDDIG-KOLCDFICSA-N 2 0 240.351 0.308 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)NC2CC[NH2+]CC2)C1 ZINC000891962725 711562020 /nfs/dbraw/zinc/56/20/20/711562020.db2.gz XJNWPRSFFRDDIG-GXSJLCMTSA-N 2 0 240.351 0.308 20 0 BCADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000724562483 711592543 /nfs/dbraw/zinc/59/25/43/711592543.db2.gz GYAKILAVYQDLAT-ZDEQEGDKSA-N 2 0 240.347 0.461 20 0 BCADRP C[N@H+](C[C@@H]1C[C@H]2COC[C@@H]2O1)CC(C)(C)C[NH3+] ZINC000724564247 711592752 /nfs/dbraw/zinc/59/27/52/711592752.db2.gz RRGRMOXLNBTELK-SRVKXCTJSA-N 2 0 242.363 0.707 20 0 BCADRP CO[C@@H]1CCOC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000724887086 711625465 /nfs/dbraw/zinc/62/54/65/711625465.db2.gz NXRFNZYOJFLZPD-JHJVBQTASA-N 2 0 242.363 0.864 20 0 BCADRP [NH3+]C[C@H]1CCC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724915826 711627625 /nfs/dbraw/zinc/62/76/25/711627625.db2.gz RQDGQKOQJFOJLH-VXGBXAGGSA-N 2 0 228.336 0.463 20 0 BCADRP C[N@H+](CCO[C@@H]1CCOC1)C1CC[NH2+]CC1 ZINC000724916770 711627785 /nfs/dbraw/zinc/62/77/85/711627785.db2.gz WETGSTQTJCKQJY-GFCCVEGCSA-N 2 0 228.336 0.476 20 0 BCADRP C[NH+]1CCC(C[NH2+]CCO[C@@H]2CCOC2)CC1 ZINC000724933131 711630474 /nfs/dbraw/zinc/63/04/74/711630474.db2.gz CWPJIBQJLWPBNI-CYBMUJFWSA-N 2 0 242.363 0.723 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@H]1CCC[NH2+]1 ZINC000158288809 711633275 /nfs/dbraw/zinc/63/32/75/711633275.db2.gz VIFCLEIZCHUCIU-PWSUYJOCSA-N 2 0 227.352 0.618 20 0 BCADRP CNC(=O)c1ccc(C[NH2+]C2CC([NH3+])C2)cc1 ZINC000133141062 711636469 /nfs/dbraw/zinc/63/64/69/711636469.db2.gz CUFCLZGRKPABPD-UHFFFAOYSA-N 2 0 233.315 0.626 20 0 BCADRP CC[NH2+]CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000393789214 711678547 /nfs/dbraw/zinc/67/85/47/711678547.db2.gz KJEDEKXOHJZJAY-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NC1CC[NH+](C)CC1 ZINC000396576989 711701930 /nfs/dbraw/zinc/70/19/30/711701930.db2.gz CXHONPPMLXCDTB-ZYHUDNBSSA-N 2 0 211.353 0.811 20 0 BCADRP C[C@H]1CN(C)C(=O)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000257785436 711728364 /nfs/dbraw/zinc/72/83/64/711728364.db2.gz LOKSTTPWNGKTIU-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H]1C[N@H+](CCO[C@H]2CCOC2)C[C@H]1C[NH3+] ZINC000724945015 711744494 /nfs/dbraw/zinc/74/44/94/711744494.db2.gz WAAMRCVWVFTJON-UTUOFQBUSA-N 2 0 228.336 0.319 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000925788106 711751994 /nfs/dbraw/zinc/75/19/94/711751994.db2.gz YFCQXZDNDOMXAG-MROQNXINSA-N 3 0 225.380 0.949 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879378 711761929 /nfs/dbraw/zinc/76/19/29/711761929.db2.gz CQAVRTJMNJBDLN-VWYCJHECSA-N 3 0 211.353 0.844 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000925879373 711762095 /nfs/dbraw/zinc/76/20/95/711762095.db2.gz CMFFZGKEPQRVJH-TUAOUCFPSA-N 3 0 211.353 0.846 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879379 711762141 /nfs/dbraw/zinc/76/21/41/711762141.db2.gz CQYKPBAWAJDZKC-NOOOWODRSA-N 3 0 211.353 0.831 20 0 BCADRP CCN(CC)C(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000160054836 711805505 /nfs/dbraw/zinc/80/55/05/711805505.db2.gz FHMYKAIZFRQQOK-NSHDSACASA-N 2 0 227.352 0.526 20 0 BCADRP C[C@H](O)CC[N@H+](C)CCC[NH2+]C1CC1 ZINC000219856480 711861916 /nfs/dbraw/zinc/86/19/16/711861916.db2.gz GFXJCUILBWDQHW-JTQLQIEISA-N 2 0 200.326 0.831 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000069724259 711893584 /nfs/dbraw/zinc/89/35/84/711893584.db2.gz XWESNKIIEFVGEG-IUCAKERBSA-N 2 0 240.269 0.970 20 0 BCADRP COC[C@H](C[N@H+](C)CCOCC[NH3+])C(C)C ZINC000721922191 711937264 /nfs/dbraw/zinc/93/72/64/711937264.db2.gz VMPYYDIJFLRIRK-LBPRGKRZSA-N 2 0 232.368 0.812 20 0 BCADRP [NH3+]CCOCC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000357080857 711944161 /nfs/dbraw/zinc/94/41/61/711944161.db2.gz NGZZPSUUZULYGI-UHFFFAOYSA-N 2 0 238.335 0.564 20 0 BCADRP [NH3+]C1CCN(CCNc2ncccn2)CC1 ZINC000321239562 711976720 /nfs/dbraw/zinc/97/67/20/711976720.db2.gz WYTUMSBUMKEZMN-UHFFFAOYSA-N 2 0 221.308 0.312 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000701036632 712012963 /nfs/dbraw/zinc/01/29/63/712012963.db2.gz AROVGYHOXGQCCF-STQMWFEESA-N 2 0 242.363 0.722 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000701036630 712013069 /nfs/dbraw/zinc/01/30/69/712013069.db2.gz AROVGYHOXGQCCF-QWHCGFSZSA-N 2 0 242.363 0.722 20 0 BCADRP CCO[C@H]1CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000701788345 712029239 /nfs/dbraw/zinc/02/92/39/712029239.db2.gz KSGOXWYSHRQRBL-CXQJBGSLSA-N 2 0 210.321 0.849 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCSC2)C12CCC2 ZINC000702273592 712043833 /nfs/dbraw/zinc/04/38/33/712043833.db2.gz UYDKYHQQVQNLDA-MXWKQRLJSA-N 2 0 242.388 0.714 20 0 BCADRP Cc1cc(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)nc(N)[nH+]1 ZINC000702411617 712051438 /nfs/dbraw/zinc/05/14/38/712051438.db2.gz ITDHGEUUDPWSRB-MFKMUULPSA-N 2 0 247.346 0.755 20 0 BCADRP C[NH+]1CCC(C[NH2+]CCOCCF)CC1 ZINC000702639856 712058198 /nfs/dbraw/zinc/05/81/98/712058198.db2.gz ZBLIDGAUSLPVIT-UHFFFAOYSA-N 2 0 218.316 0.904 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]3COC[C@@H]32)C1 ZINC000703449122 712076189 /nfs/dbraw/zinc/07/61/89/712076189.db2.gz ZFVOTBPNNCQCOM-WYUUTHIRSA-N 2 0 210.321 0.835 20 0 BCADRP C[N@H+](CCCCCC[NH3+])[C@H]1C[C@@H](C(N)=O)C1 ZINC000703523952 712078086 /nfs/dbraw/zinc/07/80/86/712078086.db2.gz BRSRPGRSVJAABE-PHIMTYICSA-N 2 0 227.352 0.701 20 0 BCADRP Cn1cncc1CCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703548708 712078868 /nfs/dbraw/zinc/07/88/68/712078868.db2.gz CQHQKHJBMAGDKC-GXTWGEPZSA-N 2 0 248.374 0.894 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000706708856 712152620 /nfs/dbraw/zinc/15/26/20/712152620.db2.gz YYNCBTGKWAPISA-LBPRGKRZSA-N 2 0 230.352 0.581 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@@H]2CCOC[C@H]2O)CC1 ZINC000706758219 712154403 /nfs/dbraw/zinc/15/44/03/712154403.db2.gz WILVXFUZTFOUAR-VXGBXAGGSA-N 2 0 228.336 0.068 20 0 BCADRP C[N@H+]1C[C@H]2CN(C[C@]3(C)CCC[NH2+]C3)C[C@H]2C1 ZINC000706979868 712160275 /nfs/dbraw/zinc/16/02/75/712160275.db2.gz AKFNOZACTCBETG-HZSPNIEDSA-N 2 0 237.391 0.870 20 0 BCADRP CC[C@@H](CO)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000707891354 712173545 /nfs/dbraw/zinc/17/35/45/712173545.db2.gz CUBIMLVGOAXZBL-WDEREUQCSA-N 2 0 200.326 0.831 20 0 BCADRP COCC(COC)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708082370 712181164 /nfs/dbraw/zinc/18/11/64/712181164.db2.gz SQIZZTONWGZRLA-NXEZZACHSA-N 2 0 216.325 0.174 20 0 BCADRP CC1(C)CO[C@H](C[N@@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000708338013 712189436 /nfs/dbraw/zinc/18/94/36/712189436.db2.gz QPODSSTYFZIEIV-NWDGAFQWSA-N 2 0 242.363 0.851 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000708367938 712191285 /nfs/dbraw/zinc/19/12/85/712191285.db2.gz NIJUYULIKPTPFL-LBPRGKRZSA-N 2 0 244.379 0.969 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709779618 712217744 /nfs/dbraw/zinc/21/77/44/712217744.db2.gz VRZLXKMAEPKVPH-NWDGAFQWSA-N 2 0 228.336 0.069 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000709272170 712218968 /nfs/dbraw/zinc/21/89/68/712218968.db2.gz BOQVEVQNEMYVLG-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CC(=O)N(C)C1)[NH2+]2 ZINC000709290419 712219259 /nfs/dbraw/zinc/21/92/59/712219259.db2.gz VFIWABZEVWFFAS-YBXAARCKSA-N 2 0 237.347 0.336 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCOC1)[NH2+]2 ZINC000709385171 712220483 /nfs/dbraw/zinc/22/04/83/712220483.db2.gz JANBVFBNQPADCW-YBXAARCKSA-N 2 0 210.321 0.894 20 0 BCADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cn(C)cn1 ZINC000709916754 712232642 /nfs/dbraw/zinc/23/26/42/712232642.db2.gz BKLBNUMFHHWGLF-NSHDSACASA-N 2 0 240.351 0.649 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](CCc2ccns2)C1 ZINC000709965205 712235409 /nfs/dbraw/zinc/23/54/09/712235409.db2.gz ASFBOPUGHJRLED-VIFPVBQESA-N 2 0 211.334 0.966 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709996679 712238833 /nfs/dbraw/zinc/23/88/33/712238833.db2.gz OPAJTMLDZAFBRH-OLZOCXBDSA-N 2 0 242.363 0.459 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1cnc2ccccc2c1 ZINC000710057116 712243446 /nfs/dbraw/zinc/24/34/46/712243446.db2.gz NRKINLPGJMEFQM-UHFFFAOYSA-N 2 0 230.315 0.610 20 0 BCADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1COC[C@@H]1C ZINC000710904404 712261814 /nfs/dbraw/zinc/26/18/14/712261814.db2.gz AWCDGAXFLVVYPX-AXFHLTTASA-N 2 0 200.326 0.951 20 0 BCADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1COC[C@H]1C ZINC000710904414 712262100 /nfs/dbraw/zinc/26/21/00/712262100.db2.gz AWCDGAXFLVVYPX-MXWKQRLJSA-N 2 0 200.326 0.951 20 0 BCADRP C[NH+](C)CC1(O)CC[NH+](CCC(C)(C)O)CC1 ZINC000710672480 712265642 /nfs/dbraw/zinc/26/56/42/712265642.db2.gz QVEGDSLZMDMDLT-UHFFFAOYSA-N 2 0 244.379 0.536 20 0 BCADRP C[C@@H]1COC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000710965448 712269446 /nfs/dbraw/zinc/26/94/46/712269446.db2.gz VDFPCTRYMWNRPW-YTWAJWBKSA-N 2 0 210.321 0.881 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710969051 712270433 /nfs/dbraw/zinc/27/04/33/712270433.db2.gz DXSREIHJUVEVTB-HAQNSBGRSA-N 2 0 241.379 0.962 20 0 BCADRP CC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000922907364 712285271 /nfs/dbraw/zinc/28/52/71/712285271.db2.gz HPDIOLWQEWZAAX-WDEREUQCSA-N 2 0 240.351 0.084 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1C[NH2+]CC1(C)C)[NH+](C)C ZINC000711250285 712290507 /nfs/dbraw/zinc/29/05/07/712290507.db2.gz OIGACFJDPBSRRJ-VHSXEESVSA-N 2 0 227.352 0.298 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000711311154 712293663 /nfs/dbraw/zinc/29/36/63/712293663.db2.gz QPNNGBYEGPZELP-MNOVXSKESA-N 2 0 239.363 0.300 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000711310278 712293774 /nfs/dbraw/zinc/29/37/74/712293774.db2.gz JFARTENCRRMBLZ-LLVKDONJSA-N 2 0 239.363 0.444 20 0 BCADRP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](CF)C1 ZINC000711466094 712302367 /nfs/dbraw/zinc/30/23/67/712302367.db2.gz DPOYWZRNUVWNNK-RYUDHWBXSA-N 2 0 248.342 0.217 20 0 BCADRP O=C(CC[N@H+]1CC[C@@H](CF)C1)N1CC[NH2+]CC1 ZINC000711453889 712304120 /nfs/dbraw/zinc/30/41/20/712304120.db2.gz LBCAKLFGHSSHJV-NSHDSACASA-N 2 0 243.326 0.100 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000379760512 712398067 /nfs/dbraw/zinc/39/80/67/712398067.db2.gz DFOONYUXQFBKIN-LBPRGKRZSA-N 2 0 239.363 0.714 20 0 BCADRP CN(C)c1nccc(NC[C@H]2CC[N@@H+]2C)n1 ZINC000712596031 712436311 /nfs/dbraw/zinc/43/63/11/712436311.db2.gz SBZZNLJRRVBGIW-SECBINFHSA-N 2 0 221.308 0.659 20 0 BCADRP C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH2+]C(C)(C)C ZINC000712615586 712438606 /nfs/dbraw/zinc/43/86/06/712438606.db2.gz OMEDLOHAMJEJRS-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP C[N@@H+]1CCN(C(=O)C(C)(C)[NH3+])CCC1(C)C ZINC000712669004 712439975 /nfs/dbraw/zinc/43/99/75/712439975.db2.gz NYLRSDFLMPDCLD-UHFFFAOYSA-N 2 0 227.352 0.666 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712675408 712440196 /nfs/dbraw/zinc/44/01/96/712440196.db2.gz YRUSBXGKCUANAU-NSHDSACASA-N 2 0 241.379 0.912 20 0 BCADRP C[NH2+]CCN(C)C(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000712989954 712450760 /nfs/dbraw/zinc/45/07/60/712450760.db2.gz NCLIRIVWXYNABS-JTQLQIEISA-N 2 0 229.368 0.674 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCCC[NH3+] ZINC000713112490 712452707 /nfs/dbraw/zinc/45/27/07/712452707.db2.gz OQCONYMOAUQMKL-VIFPVBQESA-N 2 0 215.341 0.461 20 0 BCADRP CC(C)(C[NH3+])C1CC[NH+](CC(N)=O)CC1 ZINC000714416136 712485463 /nfs/dbraw/zinc/48/54/63/712485463.db2.gz ZUXDYSOWIFLTJM-UHFFFAOYSA-N 2 0 213.325 0.169 20 0 BCADRP CNC(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714429864 712486180 /nfs/dbraw/zinc/48/61/80/712486180.db2.gz PETIGHZAEARENO-UHFFFAOYSA-N 2 0 227.352 0.429 20 0 BCADRP CC[C@@H](C(N)=O)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714440355 712488743 /nfs/dbraw/zinc/48/87/43/712488743.db2.gz SVWYHDOHACVSDO-NSHDSACASA-N 2 0 241.379 0.947 20 0 BCADRP C[N@H+]1CC=C(C[NH2+]C[C@H]2COC(C)(C)O2)CC1 ZINC000715130163 712506626 /nfs/dbraw/zinc/50/66/26/712506626.db2.gz VTZZQTPPDHUIHJ-LBPRGKRZSA-N 2 0 240.347 0.989 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715145258 712511961 /nfs/dbraw/zinc/51/19/61/712511961.db2.gz YEAKYMLYBCUIBI-VGMNWLOBSA-N 2 0 249.305 0.283 20 0 BCADRP CCN(CC)C(=O)CNC1CC[NH+](C)CC1 ZINC000037249955 712558611 /nfs/dbraw/zinc/55/86/11/712558611.db2.gz AOIGHFLFLNVOCW-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]CC1(C)OCCO1 ZINC000716821385 712577037 /nfs/dbraw/zinc/57/70/37/712577037.db2.gz OQSYQKUYYWFNIG-SNVBAGLBSA-N 2 0 216.325 0.857 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876795973 712629634 /nfs/dbraw/zinc/62/96/34/712629634.db2.gz IIUNEWRDLQTJND-XKFHPXPTSA-N 2 0 225.336 0.396 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)[NH3+] ZINC000037475933 712647752 /nfs/dbraw/zinc/64/77/52/712647752.db2.gz LSAZYPIATNNIAL-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000380090127 712685660 /nfs/dbraw/zinc/68/56/60/712685660.db2.gz GNYTZPCIMLVORW-YNEHKIRRSA-N 2 0 241.379 0.112 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3COC[C@@H]3C2)C1 ZINC000717983362 712735468 /nfs/dbraw/zinc/73/54/68/712735468.db2.gz CHVAUCCEXAXWJV-NNYUYHANSA-N 2 0 210.321 0.692 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]C1CC(CC(N)=O)C1 ZINC000718422528 712760587 /nfs/dbraw/zinc/76/05/87/712760587.db2.gz WOCVAAFIWHKLHE-WHXUTIOJSA-N 2 0 227.352 0.748 20 0 BCADRP NC(=O)CC1CC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000718461532 712763963 /nfs/dbraw/zinc/76/39/63/712763963.db2.gz UWINZVIEFKVETK-RUJICJSRSA-N 2 0 239.363 0.748 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000038029441 712800240 /nfs/dbraw/zinc/80/02/40/712800240.db2.gz BEWRVKXGJMWVEC-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H](CNC(=O)C[NH2+]C1CC1)[NH+]1CCCCC1 ZINC000038029520 712800309 /nfs/dbraw/zinc/80/03/09/712800309.db2.gz PDSHLBKXZYOGLN-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H](CNC(=O)[C@@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000038089263 712806732 /nfs/dbraw/zinc/80/67/32/712806732.db2.gz OXKDYKKZOJWUGJ-PWSUYJOCSA-N 2 0 235.331 0.753 20 0 BCADRP C[C@H](CNC(=O)C[NH2+]CC1CC1)[NH+](C)C ZINC000038089343 712807449 /nfs/dbraw/zinc/80/74/49/712807449.db2.gz BMRWOCJZVQOHCK-SECBINFHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H]1[C@H](NC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000719610845 712816797 /nfs/dbraw/zinc/81/67/97/712816797.db2.gz CMTBAYFUEKZNHA-CMPLNLGQSA-N 2 0 211.353 0.763 20 0 BCADRP C[C@H]1CC[N@H+](CCOCC[NH3+])CCO1 ZINC000719771401 712823985 /nfs/dbraw/zinc/82/39/85/712823985.db2.gz VVEYWZDNFGUYNL-JTQLQIEISA-N 2 0 202.298 0.073 20 0 BCADRP C[C@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000720416468 712841131 /nfs/dbraw/zinc/84/11/31/712841131.db2.gz PZYJQSNTCWNGDE-RYUDHWBXSA-N 2 0 240.347 0.618 20 0 BCADRP CC[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720802394 712866512 /nfs/dbraw/zinc/86/65/12/712866512.db2.gz BONZIZPJTZBPRC-XHNCKOQMSA-N 2 0 240.269 0.826 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@@H]1CC[NH2+]C1 ZINC000720890279 712874134 /nfs/dbraw/zinc/87/41/34/712874134.db2.gz LJAIVJCLPOCLAT-FRRDWIJNSA-N 2 0 223.364 0.764 20 0 BCADRP CN1CCC[C@@H]2[C@H]1CC[N@@H+]2CCOCC[NH3+] ZINC000720890351 712875013 /nfs/dbraw/zinc/87/50/13/712875013.db2.gz LRGLTITZKCHIPW-VXGBXAGGSA-N 2 0 227.352 0.130 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720898679 712875378 /nfs/dbraw/zinc/87/53/78/712875378.db2.gz KQCQDSXKIWEKQG-TUAOUCFPSA-N 2 0 239.363 0.809 20 0 BCADRP O[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000720893619 712875819 /nfs/dbraw/zinc/87/58/19/712875819.db2.gz OJWXEDZOSYKUIN-FDYHWXHSSA-N 2 0 224.348 0.974 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000720901474 712875835 /nfs/dbraw/zinc/87/58/35/712875835.db2.gz SALRTASNGGPNAT-WHOHXGKFSA-N 2 0 237.347 0.419 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720894651 712876042 /nfs/dbraw/zinc/87/60/42/712876042.db2.gz WGWKBLQNRYCSSF-DCAQKATOSA-N 2 0 225.336 0.419 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(C)(C)[NH3+] ZINC000720896449 712876902 /nfs/dbraw/zinc/87/69/02/712876902.db2.gz DGHKLVVFSITYJB-NXEZZACHSA-N 2 0 225.336 0.419 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCNC(=O)C1(C)C ZINC000721039976 712887570 /nfs/dbraw/zinc/88/75/70/712887570.db2.gz MSUXLFYFMOTOAK-ZJUUUORDSA-N 2 0 225.336 0.052 20 0 BCADRP CC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000721039573 712887731 /nfs/dbraw/zinc/88/77/31/712887731.db2.gz ISMPUYKZSFEJHR-ADEWGFFLSA-N 2 0 225.336 0.052 20 0 BCADRP CNC(=O)[C@@H]1CCCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000721040066 712887926 /nfs/dbraw/zinc/88/79/26/712887926.db2.gz OFQBPGZFRCIKKI-VWYCJHECSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000721074598 712889870 /nfs/dbraw/zinc/88/98/70/712889870.db2.gz PVVYSHIYAWGLCF-WYUUTHIRSA-N 2 0 239.363 0.428 20 0 BCADRP CNC(=O)[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000721076228 712889999 /nfs/dbraw/zinc/88/99/99/712889999.db2.gz WQOXFIHXOCRZNV-WOPDTQHZSA-N 2 0 239.363 0.300 20 0 BCADRP C[N@@H+]1CCO[C@@H]2CN(c3cc(N)cc[nH+]3)C[C@@H]21 ZINC001164670438 719369627 /nfs/dbraw/zinc/36/96/27/719369627.db2.gz UUTOJRJBDUTJJM-WDEREUQCSA-N 2 0 234.303 0.183 20 0 BCADRP C[N@@H+]1CCO[C@H]2CN(c3cccc(N)[nH+]3)C[C@H]21 ZINC001164669121 719381634 /nfs/dbraw/zinc/38/16/34/719381634.db2.gz PYKZUBNJKOSOHG-ZJUUUORDSA-N 2 0 234.303 0.183 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000649317845 398141842 /nfs/dbraw/zinc/14/18/42/398141842.db2.gz YLKONFWUQGAZOC-UHFFFAOYSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649318433 398142540 /nfs/dbraw/zinc/14/25/40/398142540.db2.gz KJRHUPXWSGAVJB-WYUUTHIRSA-N 2 0 239.363 0.298 20 0 BCADRP C[C@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[N@H+](C)C1CC1 ZINC000649319495 398142718 /nfs/dbraw/zinc/14/27/18/398142718.db2.gz BRBOYJMQWVULKA-YJQGPUDQSA-N 2 0 237.347 0.051 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649318432 398142841 /nfs/dbraw/zinc/14/28/41/398142841.db2.gz KJRHUPXWSGAVJB-NNYUYHANSA-N 2 0 239.363 0.298 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000309817453 168321956 /nfs/dbraw/zinc/32/19/56/168321956.db2.gz VPFJJCBJWUDQQM-VIFPVBQESA-N 2 0 215.341 0.605 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000228765330 168322246 /nfs/dbraw/zinc/32/22/46/168322246.db2.gz MFDHLWFVXMXZFT-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364573394 168324607 /nfs/dbraw/zinc/32/46/07/168324607.db2.gz BKCFAPNFSCSHNI-CMPLNLGQSA-N 2 0 239.363 0.620 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418351116 192026701 /nfs/dbraw/zinc/02/67/01/192026701.db2.gz RLMZPAMQGLTZAU-QWRGUYRKSA-N 2 0 242.367 0.413 20 0 BCADRP CCC[NH2+]CCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418340067 192026028 /nfs/dbraw/zinc/02/60/28/192026028.db2.gz NDOXJUAATDKIFK-LLVKDONJSA-N 2 0 242.367 0.285 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000257704724 349482204 /nfs/dbraw/zinc/48/22/04/349482204.db2.gz PEIPLCWNFAJLMW-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000257754614 349483490 /nfs/dbraw/zinc/48/34/90/349483490.db2.gz ZONBYVUMSSRKNI-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000257754612 349483536 /nfs/dbraw/zinc/48/35/36/349483536.db2.gz ZONBYVUMSSRKNI-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063124250 349506525 /nfs/dbraw/zinc/50/65/25/349506525.db2.gz RSZBYFRJIJZPCP-JTQLQIEISA-N 2 0 227.352 0.395 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)CC(C)(C)[NH3+])C1 ZINC000649342021 398158866 /nfs/dbraw/zinc/15/88/66/398158866.db2.gz HUECNIDAEDKLQZ-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)C2CC[NH2+]CC2)C1 ZINC000649342084 398159033 /nfs/dbraw/zinc/15/90/33/398159033.db2.gz LFIUWJKKMXVDSM-NSHDSACASA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000063166154 349500388 /nfs/dbraw/zinc/50/03/88/349500388.db2.gz RZPBDTOYIMQRGN-JTQLQIEISA-N 2 0 227.352 0.395 20 0 BCADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC000063166155 349500619 /nfs/dbraw/zinc/50/06/19/349500619.db2.gz RZPBDTOYIMQRGN-SNVBAGLBSA-N 2 0 227.352 0.395 20 0 BCADRP CS(=O)(=O)CCC[NH+]1CCC(CC[NH3+])CC1 ZINC000063015281 349503413 /nfs/dbraw/zinc/50/34/13/349503413.db2.gz HBDRTCHZMHWWPI-UHFFFAOYSA-N 2 0 248.392 0.482 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C[NH2+]C2CC2)C1 ZINC000062972779 349503593 /nfs/dbraw/zinc/50/35/93/349503593.db2.gz ZLGCNEAGDMCYRP-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H](CCO)[NH+](C)CCC[N@@H+](C)[C@@H](C)CCO ZINC000649869722 398155491 /nfs/dbraw/zinc/15/54/91/398155491.db2.gz KPJJNHIHRDZFLC-STQMWFEESA-N 2 0 246.395 0.782 20 0 BCADRP COCCN(C)CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422906128 398157127 /nfs/dbraw/zinc/15/71/27/398157127.db2.gz JEQANALMMTVLKI-STQMWFEESA-N 2 0 243.395 0.542 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063121289 349505849 /nfs/dbraw/zinc/50/58/49/349505849.db2.gz VEHPCYQASWDOAS-JTQLQIEISA-N 2 0 227.352 0.381 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000649341579 398157898 /nfs/dbraw/zinc/15/78/98/398157898.db2.gz JCRKRQYFNAMQNL-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000649341575 398158009 /nfs/dbraw/zinc/15/80/09/398158009.db2.gz INNNRDHAYAPGRS-QWRGUYRKSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000649341582 398158136 /nfs/dbraw/zinc/15/81/36/398158136.db2.gz JCRKRQYFNAMQNL-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H](C)[NH+](C)C ZINC000649355686 398168072 /nfs/dbraw/zinc/16/80/72/398168072.db2.gz OCBFFMXTMZWBEG-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP C[NH+](C)C1(CNC(=O)CC[NH3+])CCCCC1 ZINC000040803230 398168146 /nfs/dbraw/zinc/16/81/46/398168146.db2.gz LYCHMQQNWUWTIL-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000649357613 398170570 /nfs/dbraw/zinc/17/05/70/398170570.db2.gz XLHNIBJWTWUHCP-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[NH+](C)C ZINC000649359283 398171814 /nfs/dbraw/zinc/17/18/14/398171814.db2.gz SJVXRHAFAQNMIK-DCAQKATOSA-N 2 0 225.336 0.147 20 0 BCADRP Cc1nn(C)cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000576227239 365525260 /nfs/dbraw/zinc/52/52/60/365525260.db2.gz LYGLQMOMCPATPC-RKDXNWHRSA-N 2 0 210.325 0.944 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)[NH+](C)C ZINC000649363270 398174220 /nfs/dbraw/zinc/17/42/20/398174220.db2.gz NSXQKHKBHVHXIX-HBNTYKKESA-N 2 0 225.336 0.147 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)CC(C)(C)[NH3+] ZINC000390627645 398177900 /nfs/dbraw/zinc/17/79/00/398177900.db2.gz KGGJONZYZFXPFK-VIFPVBQESA-N 2 0 215.341 0.748 20 0 BCADRP c1nc(NC2C[NH2+]C2)cc(N2CCCCC2)n1 ZINC000258619201 349516156 /nfs/dbraw/zinc/51/61/56/349516156.db2.gz JGZSGKXHTNCNFX-UHFFFAOYSA-N 2 0 233.319 0.851 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649348465 398162497 /nfs/dbraw/zinc/16/24/97/398162497.db2.gz LRDKJXYBIUMOGJ-AHRFKUBPSA-N 2 0 249.358 0.051 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649354307 398167170 /nfs/dbraw/zinc/16/71/70/398167170.db2.gz XUPQEDDQZSHSAP-JLLWLGSASA-N 2 0 237.347 0.289 20 0 BCADRP O[C@@H](C[NH2+]CC1(O)CCC1)CN1CCCCC1 ZINC000380102241 398186306 /nfs/dbraw/zinc/18/63/06/398186306.db2.gz XOVSQGYMUIZVBP-LBPRGKRZSA-N 2 0 242.363 0.338 20 0 BCADRP COC[C@H]([NH3+])C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000576225646 365529261 /nfs/dbraw/zinc/52/92/61/365529261.db2.gz ZYUSIDBRBVSEKJ-NSHDSACASA-N 2 0 249.314 0.245 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCCC[NH2+]2)CC[C@H]1[NH3+] ZINC000576228521 365529591 /nfs/dbraw/zinc/52/95/91/365529591.db2.gz VUIOAIHHMUHOIA-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000576230840 365531576 /nfs/dbraw/zinc/53/15/76/365531576.db2.gz PUYBNMRNVPZTRZ-IUCAKERBSA-N 2 0 249.305 0.427 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000580539689 365560175 /nfs/dbraw/zinc/56/01/75/365560175.db2.gz FJWAPZZEDIWJJL-DGCLKSJQSA-N 2 0 249.358 0.752 20 0 BCADRP [NH3+]C1(C(=O)NCCC[C@@H]2CCC[NH2+]2)CCC1 ZINC000573089973 398209374 /nfs/dbraw/zinc/20/93/74/398209374.db2.gz WRTMMGNXELLWGW-JTQLQIEISA-N 2 0 225.336 0.516 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638927459 398205352 /nfs/dbraw/zinc/20/53/52/398205352.db2.gz WRMAPFMSGYBSSQ-NNYUYHANSA-N 2 0 237.347 0.467 20 0 BCADRP COC[C@H]([NH3+])C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000576278047 365547686 /nfs/dbraw/zinc/54/76/86/365547686.db2.gz CKPSQJXMEPFELI-KWQFWETISA-N 2 0 237.303 0.619 20 0 BCADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000576291662 365554915 /nfs/dbraw/zinc/55/49/15/365554915.db2.gz OQNWUJBSVUZESM-YFKTTZPYSA-N 2 0 239.363 0.761 20 0 BCADRP Cn1ccnc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724212 398213781 /nfs/dbraw/zinc/21/37/81/398213781.db2.gz RWIRNANZVUCKCC-LLVKDONJSA-N 2 0 222.336 0.981 20 0 BCADRP Cn1nccc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069723864 398214210 /nfs/dbraw/zinc/21/42/10/398214210.db2.gz DXXCKCUVRAENMP-NSHDSACASA-N 2 0 222.336 0.981 20 0 BCADRP CC1([NH3+])CC[NH+](CCn2cccn2)CC1 ZINC000649416072 398215706 /nfs/dbraw/zinc/21/57/06/398215706.db2.gz LMDHTVYQWIKSAP-UHFFFAOYSA-N 2 0 208.309 0.696 20 0 BCADRP Cc1noc(CCC[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000576346689 365572377 /nfs/dbraw/zinc/57/23/77/365572377.db2.gz VNBGPJQGKZHYHM-ONGXEEELSA-N 2 0 238.335 0.980 20 0 BCADRP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H](C)O ZINC000386680844 398216335 /nfs/dbraw/zinc/21/63/35/398216335.db2.gz IFBUMRZMDJKMBW-TUAOUCFPSA-N 2 0 230.352 0.192 20 0 BCADRP c1ncn(C[C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)n1 ZINC000649412984 398210624 /nfs/dbraw/zinc/21/06/24/398210624.db2.gz GUDPJMPIUSRIKY-STQMWFEESA-N 2 0 249.362 0.742 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000573205381 398212336 /nfs/dbraw/zinc/21/23/36/398212336.db2.gz NVVRSUZQMBHOAY-GHMZBOCLSA-N 2 0 227.352 0.631 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H]([NH3+])CCSC ZINC000576397771 365585856 /nfs/dbraw/zinc/58/58/56/365585856.db2.gz NGXBERNBFPFEJR-SECBINFHSA-N 2 0 247.408 0.701 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCCC[NH3+])C[C@H]1C ZINC000418367179 192028655 /nfs/dbraw/zinc/02/86/55/192028655.db2.gz ZDIQPMBKLLXWOG-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418378122 192030111 /nfs/dbraw/zinc/03/01/11/192030111.db2.gz HSJHGLKQILNRDQ-WDEREUQCSA-N 2 0 242.367 0.411 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418378274 192030193 /nfs/dbraw/zinc/03/01/93/192030193.db2.gz ALGFSBRBCGMDBE-NXEZZACHSA-N 2 0 228.340 0.006 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418396437 192032957 /nfs/dbraw/zinc/03/29/57/192032957.db2.gz BBDGOKQBRUSCEQ-GMTAPVOTSA-N 2 0 242.367 0.493 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N(C)CC[NH+](C)C ZINC000418381389 192030509 /nfs/dbraw/zinc/03/05/09/192030509.db2.gz GHVQLQGYUIZILZ-JTQLQIEISA-N 2 0 230.356 0.173 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418396443 192033112 /nfs/dbraw/zinc/03/31/12/192033112.db2.gz BBDGOKQBRUSCEQ-VWYCJHECSA-N 2 0 242.367 0.493 20 0 BCADRP COCCC[N@H+](CCO)CC[C@H]1CCC[NH+]1C ZINC000189876204 398226559 /nfs/dbraw/zinc/22/65/59/398226559.db2.gz UQVKZIZZYUBWCS-CYBMUJFWSA-N 2 0 244.379 0.802 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000418382411 192030654 /nfs/dbraw/zinc/03/06/54/192030654.db2.gz IQUOENMBTULGEW-DCAQKATOSA-N 2 0 242.367 0.282 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)[C@@H](C)[NH3+] ZINC000576458349 365601124 /nfs/dbraw/zinc/60/11/24/365601124.db2.gz TWLGRNNPDNDGEC-MDZLAQPJSA-N 2 0 241.379 0.803 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418382328 192030693 /nfs/dbraw/zinc/03/06/93/192030693.db2.gz LYAUTHYEEBUTGB-MNOVXSKESA-N 2 0 242.367 0.555 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418384030 192031106 /nfs/dbraw/zinc/03/11/06/192031106.db2.gz NVCYWASOONWYIG-JTQLQIEISA-N 2 0 240.351 0.084 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418384961 192031229 /nfs/dbraw/zinc/03/12/29/192031229.db2.gz POYQEWXXOLIFAF-SNVBAGLBSA-N 2 0 242.367 0.555 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418385359 192031510 /nfs/dbraw/zinc/03/15/10/192031510.db2.gz KNIWPUFNIPNSOU-GHMZBOCLSA-N 2 0 244.383 0.515 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@H]([NH3+])C(C)C ZINC000418394397 192032417 /nfs/dbraw/zinc/03/24/17/192032417.db2.gz RRCXLYWNIMCJOT-UWVGGRQHSA-N 2 0 230.356 0.124 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000418403753 192033763 /nfs/dbraw/zinc/03/37/63/192033763.db2.gz JUTCLUDAQXNWAF-HBNTYKKESA-N 2 0 242.367 0.362 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418403346 192033944 /nfs/dbraw/zinc/03/39/44/192033944.db2.gz JJCNFLSZZBSPBR-MNOVXSKESA-N 2 0 242.367 0.411 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418411187 192034513 /nfs/dbraw/zinc/03/45/13/192034513.db2.gz QAIDTMQNTMEERA-GMTAPVOTSA-N 2 0 242.367 0.267 20 0 BCADRP CN(CC[NH3+])C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418414997 192035014 /nfs/dbraw/zinc/03/50/14/192035014.db2.gz SJPCTXBNQYLMOY-UWVGGRQHSA-N 2 0 228.340 0.104 20 0 BCADRP C[C@@H](CNC(=O)CC[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000430764793 398231017 /nfs/dbraw/zinc/23/10/17/398231017.db2.gz TWULJYSJZVTCOI-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)([NH3+])CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418413953 192035190 /nfs/dbraw/zinc/03/51/90/192035190.db2.gz RHUWNVOVWSLEIP-UWVGGRQHSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@H]1CN(C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000334317555 136225350 /nfs/dbraw/zinc/22/53/50/136225350.db2.gz QPIRVTMACBGXHE-WDEREUQCSA-N 2 0 225.336 0.243 20 0 BCADRP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+]1C)C1CCC1 ZINC000629952644 361797351 /nfs/dbraw/zinc/79/73/51/361797351.db2.gz PZLNEEOZSDRHEG-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000418435580 192035855 /nfs/dbraw/zinc/03/58/55/192035855.db2.gz ASZGPIDYDTYYMO-DCAQKATOSA-N 2 0 242.367 0.635 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418437732 192035887 /nfs/dbraw/zinc/03/58/87/192035887.db2.gz IGRLBBYYZCBIKI-LLVKDONJSA-N 2 0 244.383 0.659 20 0 BCADRP C[NH2+]CCN(C)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418417744 192035428 /nfs/dbraw/zinc/03/54/28/192035428.db2.gz VNGGLUNGOFBHAB-QWRGUYRKSA-N 2 0 242.367 0.365 20 0 BCADRP CCCN(C(=O)NCC(C)(C)[NH3+])[C@@H]1CC[NH2+]C1 ZINC000418417849 192035431 /nfs/dbraw/zinc/03/54/31/192035431.db2.gz VWUBZFRGGDBLFC-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000418442232 192036462 /nfs/dbraw/zinc/03/64/62/192036462.db2.gz JISLEAWEFLATRY-ZJUUUORDSA-N 2 0 228.340 0.247 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000418442635 192036512 /nfs/dbraw/zinc/03/65/12/192036512.db2.gz KEBDSDZYRYHJNE-UWVGGRQHSA-N 2 0 230.356 0.493 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@@H](C)CCC[NH3+] ZINC000418445033 192036783 /nfs/dbraw/zinc/03/67/83/192036783.db2.gz MTBRMQPGVQTEKK-QWRGUYRKSA-N 2 0 244.383 0.931 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000432519481 398237735 /nfs/dbraw/zinc/23/77/35/398237735.db2.gz OAAXZDWHKUGDAF-MNOVXSKESA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C[N@H+](C)C1CCC1 ZINC000629965302 361812526 /nfs/dbraw/zinc/81/25/26/361812526.db2.gz SFYMLOHLSGWSKF-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC[NH2+]C(C)(C)C ZINC000380136408 398244107 /nfs/dbraw/zinc/24/41/07/398244107.db2.gz UQMNZXLENNNGRB-QMMMGPOBSA-N 2 0 201.314 0.228 20 0 BCADRP C[C@@H]([NH3+])CCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000381254735 398244347 /nfs/dbraw/zinc/24/43/47/398244347.db2.gz QMHOQZWMDCBHMX-SFYZADRCSA-N 2 0 210.281 0.774 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000576507190 365611906 /nfs/dbraw/zinc/61/19/06/365611906.db2.gz OSLHDUMGADBZKY-NSHDSACASA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC000576516876 365612496 /nfs/dbraw/zinc/61/24/96/365612496.db2.gz DRLYABIZLJYWHH-FIQHERPVSA-N 2 0 239.363 0.631 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000418447898 192036921 /nfs/dbraw/zinc/03/69/21/192036921.db2.gz QBNRNGOHGIOXHU-WDEREUQCSA-N 2 0 242.367 0.637 20 0 BCADRP C[C@@H]1OCC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336778249 398245147 /nfs/dbraw/zinc/24/51/47/398245147.db2.gz KUICDSLTQALJAC-WDEREUQCSA-N 2 0 228.336 0.210 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000669528888 488176606 /nfs/dbraw/zinc/17/66/06/488176606.db2.gz PPVRYQHALLWSKT-ATZCPNFKSA-N 2 0 240.351 0.116 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000381277995 398249781 /nfs/dbraw/zinc/24/97/81/398249781.db2.gz XKARINXHBGLUFQ-NWDGAFQWSA-N 2 0 211.353 0.657 20 0 BCADRP Cc1c[nH+]ccc1N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000580903394 398250854 /nfs/dbraw/zinc/25/08/54/398250854.db2.gz SRGJKTJSCFBJQU-WDEREUQCSA-N 2 0 246.314 0.138 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000381323178 398251778 /nfs/dbraw/zinc/25/17/78/398251778.db2.gz PQGQHKVOHWNXOF-KOLCDFICSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000381313516 398252987 /nfs/dbraw/zinc/25/29/87/398252987.db2.gz MFRPIRHUMKHMIJ-UTINFBMNSA-N 2 0 213.325 0.226 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C[C@H]1CC[NH2+]C1 ZINC000381363318 398252964 /nfs/dbraw/zinc/25/29/64/398252964.db2.gz FPDCGAUSPOZWIN-RYUDHWBXSA-N 2 0 211.353 0.799 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000381414015 398256272 /nfs/dbraw/zinc/25/62/72/398256272.db2.gz UHTMLHHKAGSWMU-GUBZILKMSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@](CN)([NH2+]CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000576756042 365678316 /nfs/dbraw/zinc/67/83/16/365678316.db2.gz AUHHCKCWYSGCET-CMPLNLGQSA-N 2 0 211.353 0.703 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000381420557 398257324 /nfs/dbraw/zinc/25/73/24/398257324.db2.gz XFSJKCXJOXASKQ-ZYHUDNBSSA-N 2 0 209.337 0.422 20 0 BCADRP CC[NH+](CC)CC(=O)NCCC[NH2+]C1CC1 ZINC000576706180 365665664 /nfs/dbraw/zinc/66/56/64/365665664.db2.gz DJZJPWHOJIIIJW-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C[C@@H]1CC[NH2+]C1 ZINC000381363324 398254546 /nfs/dbraw/zinc/25/45/46/398254546.db2.gz FPDCGAUSPOZWIN-VXGBXAGGSA-N 2 0 211.353 0.799 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000381369851 398254737 /nfs/dbraw/zinc/25/47/37/398254737.db2.gz HFBMLCDEMLIJCB-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C[C@H]1CC[NH2+]C1 ZINC000381363316 398254767 /nfs/dbraw/zinc/25/47/67/398254767.db2.gz FPDCGAUSPOZWIN-NWDGAFQWSA-N 2 0 211.353 0.799 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N(C)CCC[NH3+] ZINC000381394419 398255213 /nfs/dbraw/zinc/25/52/13/398255213.db2.gz OKAIGJXVSIRKMS-UHFFFAOYSA-N 2 0 215.341 0.559 20 0 BCADRP CC[NH2+]CCCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000381842927 398255404 /nfs/dbraw/zinc/25/54/04/398255404.db2.gz QYCCLWTZDFOABM-SNVBAGLBSA-N 2 0 213.325 0.244 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C2([NH3+])CCC2)C1 ZINC000576754668 365676654 /nfs/dbraw/zinc/67/66/54/365676654.db2.gz XINOWZMMSROOLS-BDAKNGLRSA-N 2 0 211.309 0.111 20 0 BCADRP CC[N@H+](CC(=O)NCc1cncn1C)C1CC1 ZINC000291143391 538947539 /nfs/dbraw/zinc/94/75/39/538947539.db2.gz GFLMQGPAHPQGNF-UHFFFAOYSA-N 2 0 236.319 0.521 20 0 BCADRP CCC[NH2+]CCNC(=O)N(C)CC[NH+](C)C ZINC000418469657 192038349 /nfs/dbraw/zinc/03/83/49/192038349.db2.gz IQJNJXOKKMEDJM-UHFFFAOYSA-N 2 0 230.356 0.189 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C[C@H]1CC[NH2+]C1 ZINC000381540735 398262459 /nfs/dbraw/zinc/26/24/59/398262459.db2.gz IMBFUBXWYWVDLG-RYUDHWBXSA-N 2 0 213.369 0.901 20 0 BCADRP CC(C)(C)C[N@H+](CCO)CCOCC[NH3+] ZINC000381535769 398262694 /nfs/dbraw/zinc/26/26/94/398262694.db2.gz GOZJFMCMAIILDI-UHFFFAOYSA-N 2 0 218.341 0.302 20 0 BCADRP [NH3+]CCCCc1nc([C@H]2CCC[NH2+]2)no1 ZINC000381527999 398261063 /nfs/dbraw/zinc/26/10/63/398261063.db2.gz XSCFKHDCEOJDQO-MRVPVSSYSA-N 2 0 210.281 0.776 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NCC[NH+](C)C ZINC000418477524 192039662 /nfs/dbraw/zinc/03/96/62/192039662.db2.gz XXINIISAVSQIKX-SNVBAGLBSA-N 2 0 230.356 0.365 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000418484665 192040379 /nfs/dbraw/zinc/04/03/79/192040379.db2.gz GSJKHKZUWHZQPN-MXWKQRLJSA-N 2 0 242.367 0.315 20 0 BCADRP CC[NH2+]CCNC(=O)c1ccc(C[NH3+])o1 ZINC000381735267 398270674 /nfs/dbraw/zinc/27/06/74/398270674.db2.gz OEYAYDHZTCFOJX-UHFFFAOYSA-N 2 0 211.265 0.078 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000381761875 346837887 /nfs/dbraw/zinc/83/78/87/346837887.db2.gz UDPFFTHONZYBJF-SDDRHHMPSA-N 2 0 230.352 0.314 20 0 BCADRP CS[C@H]1CN(C(=O)C[NH+](C)C)C[C@@H]1[NH+](C)C ZINC000344738176 398271098 /nfs/dbraw/zinc/27/10/98/398271098.db2.gz LTWOOQMFHXLLIF-UWVGGRQHSA-N 2 0 245.392 0.052 20 0 BCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000334925562 398274507 /nfs/dbraw/zinc/27/45/07/398274507.db2.gz LPKCEHZERVMQOS-QWRGUYRKSA-N 2 0 240.351 0.084 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000418488097 192040886 /nfs/dbraw/zinc/04/08/86/192040886.db2.gz JPFBOXIODWDCSU-QWRGUYRKSA-N 2 0 242.367 0.426 20 0 BCADRP C[C@@H]1CO[C@H](CO)CN1CC[C@@H]1CCC[N@@H+]1C ZINC000162279006 349612221 /nfs/dbraw/zinc/61/22/21/349612221.db2.gz MKPNUXARRBAXRC-AGIUHOORSA-N 2 0 242.363 0.552 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H](C)C[NH3+] ZINC000418489750 192041469 /nfs/dbraw/zinc/04/14/69/192041469.db2.gz MDGFPVCHYKPEHU-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP CCC[NH2+]CCNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000418489278 192041689 /nfs/dbraw/zinc/04/16/89/192041689.db2.gz NCIOLSZJTNLBIE-GHMZBOCLSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418491287 192041764 /nfs/dbraw/zinc/04/17/64/192041764.db2.gz RRCCCJNWQVARKK-IEBDPFPHSA-N 2 0 240.351 0.021 20 0 BCADRP C[C@@H](C(=O)NCC[N@H+](C)C1CC1)[C@H](C)[NH3+] ZINC000165436680 361840516 /nfs/dbraw/zinc/84/05/16/361840516.db2.gz KEDFNDNBRSLJEN-BDAKNGLRSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000418496532 192042145 /nfs/dbraw/zinc/04/21/45/192042145.db2.gz VKFSXLJWSATHSC-QWRGUYRKSA-N 2 0 242.367 0.317 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]([NH3+])CC ZINC000418448882 192042348 /nfs/dbraw/zinc/04/23/48/192042348.db2.gz RGJMRGQROKUDRQ-VHSXEESVSA-N 2 0 230.356 0.540 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418494281 192042434 /nfs/dbraw/zinc/04/24/34/192042434.db2.gz RXAOGROTAKVXJM-KXUCPTDWSA-N 2 0 228.340 0.150 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[NH2+]CC1 ZINC000082653106 398277117 /nfs/dbraw/zinc/27/71/17/398277117.db2.gz WKIAXDSPGRDNHW-GFCCVEGCSA-N 2 0 233.315 0.427 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000082651672 398277187 /nfs/dbraw/zinc/27/71/87/398277187.db2.gz XRGJNIPRTRWWDF-NWDGAFQWSA-N 2 0 222.336 0.942 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+]CCN(C)C(C)C ZINC000167194444 361861834 /nfs/dbraw/zinc/86/18/34/361861834.db2.gz XLZLHSVQSXFSSJ-JTQLQIEISA-N 2 0 215.341 0.441 20 0 BCADRP CC(C)N1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC000629983156 361869324 /nfs/dbraw/zinc/86/93/24/361869324.db2.gz PLALENFGUMJLCH-UHFFFAOYSA-N 2 0 239.363 0.680 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000335605002 136236001 /nfs/dbraw/zinc/23/60/01/136236001.db2.gz FBBXZXNCIPGWSL-WDEREUQCSA-N 2 0 240.351 0.261 20 0 BCADRP CC(C)[C@@H](C(=O)NC1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000399628570 342739306 /nfs/dbraw/zinc/73/93/06/342739306.db2.gz FIXKPTGQTRLGNN-CMPLNLGQSA-N 2 0 241.379 0.816 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N(C)CC[NH3+] ZINC000418451129 192043149 /nfs/dbraw/zinc/04/31/49/192043149.db2.gz VMBKNRZGEVVHIC-VIFPVBQESA-N 2 0 216.329 0.104 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)C[N@H+](C)C1CCC1 ZINC000630007947 361892706 /nfs/dbraw/zinc/89/27/06/361892706.db2.gz RIGMDEJNSYPRBM-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418453740 192043060 /nfs/dbraw/zinc/04/30/60/192043060.db2.gz YOPUDXXHNRHNIT-MNOVXSKESA-N 2 0 242.367 0.396 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@@H](C)CC[NH3+] ZINC000418451718 192043062 /nfs/dbraw/zinc/04/30/62/192043062.db2.gz WIQAZGOHXVGZDC-VHSXEESVSA-N 2 0 230.356 0.540 20 0 BCADRP C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC000630000598 361886283 /nfs/dbraw/zinc/88/62/83/361886283.db2.gz MOCNSTYFWIOZFK-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP CC[N@H+](CC(=O)NCC1([NH2+]C)CCC1)C1CC1 ZINC000630001530 361888169 /nfs/dbraw/zinc/88/81/69/361888169.db2.gz BVFQJODHAJOOEC-UHFFFAOYSA-N 2 0 239.363 0.729 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000418448921 192043256 /nfs/dbraw/zinc/04/32/56/192043256.db2.gz RKYNJAZHPQYRSH-MNOVXSKESA-N 2 0 242.367 0.637 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@H](C)CC[NH3+] ZINC000418451719 192043347 /nfs/dbraw/zinc/04/33/47/192043347.db2.gz WIQAZGOHXVGZDC-ZJUUUORDSA-N 2 0 230.356 0.540 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)NCC1([NH3+])CCC1 ZINC000418505735 192044647 /nfs/dbraw/zinc/04/46/47/192044647.db2.gz DOTQMRVMMSDYPK-SNVBAGLBSA-N 2 0 242.367 0.685 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NCC1([NH3+])CCC1 ZINC000418507881 192045109 /nfs/dbraw/zinc/04/51/09/192045109.db2.gz JISKNGORDDPAFR-SECBINFHSA-N 2 0 228.340 0.165 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)CC1([NH3+])CC1 ZINC000398007624 488180819 /nfs/dbraw/zinc/18/08/19/488180819.db2.gz ACXZNNLVOVQBJS-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC([NH3+])CC2)C1 ZINC000335464142 398288784 /nfs/dbraw/zinc/28/87/84/398288784.db2.gz IUHOFHBLGIJFMH-KOLCDFICSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[C@@H](N(C)C(=O)C2([NH3+])CCC2)CC[N@@H+]1C ZINC000335464748 398289595 /nfs/dbraw/zinc/28/95/95/398289595.db2.gz METUWCLVXVMRKB-MNOVXSKESA-N 2 0 239.363 0.809 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335621902 136240136 /nfs/dbraw/zinc/24/01/36/136240136.db2.gz BQNWFKPYVCDEPM-VIFPVBQESA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000335621917 136240186 /nfs/dbraw/zinc/24/01/86/136240186.db2.gz CAXPFVUSIMEODD-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000335621919 136240188 /nfs/dbraw/zinc/24/01/88/136240188.db2.gz CAXPFVUSIMEODD-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)C[NH3+])C1 ZINC000418516893 192045939 /nfs/dbraw/zinc/04/59/39/192045939.db2.gz UALLTRSSVMGRQW-GHMZBOCLSA-N 2 0 242.367 0.458 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000379894631 538981003 /nfs/dbraw/zinc/98/10/03/538981003.db2.gz BWGWBMQPQVPWEE-NSHDSACASA-N 2 0 213.325 0.135 20 0 BCADRP CC(C)(C)[C@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000380057198 538984184 /nfs/dbraw/zinc/98/41/84/538984184.db2.gz YOSFLACDYHDPMZ-GARJFASQSA-N 2 0 212.337 0.545 20 0 BCADRP CN(CC[NH3+])C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000417821090 398294384 /nfs/dbraw/zinc/29/43/84/398294384.db2.gz DHKMISVJSPFCIP-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)NCCC[NH2+]C ZINC000417820892 398294392 /nfs/dbraw/zinc/29/43/92/398294392.db2.gz VJHKVCZFDZGGRE-UHFFFAOYSA-N 2 0 244.383 0.627 20 0 BCADRP CN1CCC([NH2+]CCCn2cncn2)CC1 ZINC000381647037 539005848 /nfs/dbraw/zinc/00/58/48/539005848.db2.gz BXLZFONMKUPOLZ-UHFFFAOYSA-N 2 0 223.324 0.352 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417822070 398294683 /nfs/dbraw/zinc/29/46/83/398294683.db2.gz JAHJURALENNSES-WYUUTHIRSA-N 2 0 237.347 0.052 20 0 BCADRP COCC[C@H](CO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000382678401 539010332 /nfs/dbraw/zinc/01/03/32/539010332.db2.gz CSCBSWUCJLTOFD-WCQYABFASA-N 2 0 244.379 0.704 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000418521185 192046809 /nfs/dbraw/zinc/04/68/09/192046809.db2.gz IBZPLCACABIERM-UTLUCORTSA-N 2 0 228.340 0.116 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)NC[C@H]([NH3+])CC ZINC000417819011 398293749 /nfs/dbraw/zinc/29/37/49/398293749.db2.gz TUIKWKIZQGXVQY-LLVKDONJSA-N 2 0 244.383 0.755 20 0 BCADRP CC(C)CC[C@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390354587 539020781 /nfs/dbraw/zinc/02/07/81/539020781.db2.gz QDVAVCUUVTUJPW-XQQFMLRXSA-N 2 0 226.364 0.935 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@H](C)CC[NH3+] ZINC000418523376 192047813 /nfs/dbraw/zinc/04/78/13/192047813.db2.gz KHXMNLWZYVUZTQ-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H]1C[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000390618667 539026716 /nfs/dbraw/zinc/02/67/16/539026716.db2.gz HRVZOCJCULIFPX-LPWJVIDDSA-N 2 0 224.348 0.953 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H](C)CC[NH3+] ZINC000418527585 192047554 /nfs/dbraw/zinc/04/75/54/192047554.db2.gz ONZWFDBSEJAWMR-GMTAPVOTSA-N 2 0 242.367 0.635 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000418530967 192048497 /nfs/dbraw/zinc/04/84/97/192048497.db2.gz VTDRMCPFDKNYOJ-LLVKDONJSA-N 2 0 242.367 0.461 20 0 BCADRP C[NH+](C)CCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418538950 192049166 /nfs/dbraw/zinc/04/91/66/192049166.db2.gz LKGFYRLWWMASTG-LBPRGKRZSA-N 2 0 242.367 0.237 20 0 BCADRP C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)OC1CCOCC1 ZINC000625098928 342855172 /nfs/dbraw/zinc/85/51/72/342855172.db2.gz QQFPYQGKDNSJFI-RYUDHWBXSA-N 2 0 240.347 0.333 20 0 BCADRP CO[C@H](C[NH2+]CCC[NH+](C)C)C1CC1 ZINC000382156997 398307721 /nfs/dbraw/zinc/30/77/21/398307721.db2.gz RLIQABUIEZRBRV-LLVKDONJSA-N 2 0 200.326 0.953 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000236789182 398316777 /nfs/dbraw/zinc/31/67/77/398316777.db2.gz WGDRWWUYLKZHQC-NHCYSSNCSA-N 2 0 239.363 0.711 20 0 BCADRP C[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000167341651 136245426 /nfs/dbraw/zinc/24/54/26/136245426.db2.gz NGCNSHGCDDZUGY-GHMZBOCLSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000167341550 136245502 /nfs/dbraw/zinc/24/55/02/136245502.db2.gz NGCNSHGCDDZUGY-WDEREUQCSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CC[NH+](C)C ZINC000418556402 192050101 /nfs/dbraw/zinc/05/01/01/192050101.db2.gz OVWVWBFONPMCHE-MNOVXSKESA-N 2 0 242.367 0.187 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)CC[NH2+]C2CC2)[C@H]1C ZINC000584004271 342900081 /nfs/dbraw/zinc/90/00/81/342900081.db2.gz FYWJJVNSEBMPJW-ZJUUUORDSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CC[NH2+]C1CC1 ZINC000584004270 342900096 /nfs/dbraw/zinc/90/00/96/342900096.db2.gz FYWJJVNSEBMPJW-VHSXEESVSA-N 2 0 225.336 0.337 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)CC[NH3+])CC1 ZINC000036135352 342893000 /nfs/dbraw/zinc/89/30/00/342893000.db2.gz IKKLCARURREJFD-UHFFFAOYSA-N 2 0 213.325 0.278 20 0 BCADRP CC[NH+]1CCC(NC(=O)NCC[NH+](C)C)CC1 ZINC000133348842 323018660 /nfs/dbraw/zinc/01/86/60/323018660.db2.gz CYJSRMFVVMYXCY-UHFFFAOYSA-N 2 0 242.367 0.332 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418573426 192052287 /nfs/dbraw/zinc/05/22/87/192052287.db2.gz LICIZWCMXRVYIK-MXWKQRLJSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N(C)CC[NH+]1CCCC1 ZINC000418571278 192052334 /nfs/dbraw/zinc/05/23/34/192052334.db2.gz RJDDCWUWOYMXME-JTQLQIEISA-N 2 0 228.340 0.071 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](C)[NH2+]C ZINC000308979015 529417441 /nfs/dbraw/zinc/41/74/41/529417441.db2.gz HLHFHEWQAKHUHE-VGMNWLOBSA-N 2 0 201.314 0.084 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H](C)C[NH3+] ZINC000418576387 192052632 /nfs/dbraw/zinc/05/26/32/192052632.db2.gz XNLCKSQWOPNMCV-UWVGGRQHSA-N 2 0 230.356 0.348 20 0 BCADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)[NH3+] ZINC000037001287 342915400 /nfs/dbraw/zinc/91/54/00/342915400.db2.gz LXDJCPSHEJRFDS-UWVGGRQHSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000418578188 192052802 /nfs/dbraw/zinc/05/28/02/192052802.db2.gz ZYOAMKYPIGJGKQ-LPEHRKFASA-N 2 0 228.340 0.068 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC(C)(C)C[NH3+] ZINC000418586096 192053325 /nfs/dbraw/zinc/05/33/25/192053325.db2.gz ZHCQAMDYGQFCEV-IUCAKERBSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418587982 192053574 /nfs/dbraw/zinc/05/35/74/192053574.db2.gz HKILBIYLKISUCM-GXSJLCMTSA-N 2 0 242.367 0.493 20 0 BCADRP C[NH2+]CCN(C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418582694 192053695 /nfs/dbraw/zinc/05/36/95/192053695.db2.gz AIGYDYKIFAMZFU-LLVKDONJSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H](C)C[NH3+])cc1 ZINC000580304116 346879462 /nfs/dbraw/zinc/87/94/62/346879462.db2.gz XLTPJKKLDNBBKG-VHSXEESVSA-N 2 0 235.331 0.917 20 0 BCADRP C[C@@H](NC(=O)N[C@H](C[NH3+])C1CCCC1)[C@H](C)[NH3+] ZINC000418584195 192053794 /nfs/dbraw/zinc/05/37/94/192053794.db2.gz BYCKPGXSMIRVCL-IQJOONFLSA-N 2 0 242.367 0.539 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H](C)Cn1ccnc1 ZINC000037476462 398327944 /nfs/dbraw/zinc/32/79/44/398327944.db2.gz LOGDWRXFBPRCRL-IUCAKERBSA-N 2 0 210.281 0.125 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC[NH+]1CCCC1 ZINC000037480179 398328386 /nfs/dbraw/zinc/32/83/86/398328386.db2.gz LNBLERBJSLBYIS-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP C[NH+](C)CCCNC(=O)C1([NH3+])CCCC1 ZINC000037479405 398328435 /nfs/dbraw/zinc/32/84/35/398328435.db2.gz XCWBBIRXVPWSGG-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449558817 398337888 /nfs/dbraw/zinc/33/78/88/398337888.db2.gz WYFLKVDRVPCJQY-QNWHQSFQSA-N 2 0 245.326 0.329 20 0 BCADRP [NH3+]C1(CC(=O)NCC[N@H+]2CC=CCC2)CCC1 ZINC000392805535 398335359 /nfs/dbraw/zinc/33/53/59/398335359.db2.gz BUPAGAIRHOYRBI-UHFFFAOYSA-N 2 0 237.347 0.636 20 0 BCADRP C[C@H](CNC(=O)C1([NH3+])CCCC1)[NH+](C)C ZINC000038089349 398335934 /nfs/dbraw/zinc/33/59/34/398335934.db2.gz AMZJDGYNTCWKEY-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000038089213 398335954 /nfs/dbraw/zinc/33/59/54/398335954.db2.gz QJTLHBCIAXWPKM-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP COC[C@@H](C)C[N@H+](CCO)C1CCN(C)CC1 ZINC000189502629 346890675 /nfs/dbraw/zinc/89/06/75/346890675.db2.gz KXYQDTRRIRYPDK-LBPRGKRZSA-N 2 0 244.379 0.657 20 0 BCADRP CC[C@@H]1CN(C(=O)CCC[NH3+])CC[C@@H]1[NH3+] ZINC000381494416 398345159 /nfs/dbraw/zinc/34/51/59/398345159.db2.gz ZOXSZIVZOHGLEM-ZJUUUORDSA-N 2 0 213.325 0.311 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C[NH2+]C(C)C ZINC000041680306 488191890 /nfs/dbraw/zinc/19/18/90/488191890.db2.gz HQHRIALTAVJNJA-UHFFFAOYSA-N 2 0 229.368 0.785 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCCN2CCOCC2)C1 ZINC000351849741 136257918 /nfs/dbraw/zinc/25/79/18/136257918.db2.gz HAWZFJMUTOTTTH-OLZOCXBDSA-N 2 0 241.379 0.378 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000353168545 187208395 /nfs/dbraw/zinc/20/83/95/187208395.db2.gz NGUMBKUDZMBQGM-SRVKXCTJSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000418618177 192056958 /nfs/dbraw/zinc/05/69/58/192056958.db2.gz MVNHAXXLMYEEHA-JTQLQIEISA-N 2 0 242.367 0.459 20 0 BCADRP c1csc(C[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000040397674 342965711 /nfs/dbraw/zinc/96/57/11/342965711.db2.gz VJHQSADEYPNHPA-UHFFFAOYSA-N 2 0 225.361 0.743 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000351859155 136258575 /nfs/dbraw/zinc/25/85/75/136258575.db2.gz BOJRKXCDTFLFPJ-JBLDHEPKSA-N 2 0 237.347 0.419 20 0 BCADRP C[N@H+](CC1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000036870191 342992546 /nfs/dbraw/zinc/99/25/46/342992546.db2.gz ZZXCACDPMHAQIT-NSHDSACASA-N 2 0 246.376 0.105 20 0 BCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC000356806190 187213351 /nfs/dbraw/zinc/21/33/51/187213351.db2.gz MNKUVUROOVUGTD-NWDGAFQWSA-N 2 0 241.379 0.926 20 0 BCADRP CC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037859657 342987236 /nfs/dbraw/zinc/98/72/36/342987236.db2.gz VVOSCRMNBMBCIG-GHMZBOCLSA-N 2 0 200.326 0.831 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000362514104 187219546 /nfs/dbraw/zinc/21/95/46/187219546.db2.gz VLEHQPYDRVSMAY-GFCCVEGCSA-N 2 0 241.379 0.879 20 0 BCADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050460708 343022500 /nfs/dbraw/zinc/02/25/00/343022500.db2.gz NMUOEVGLKKIPFK-OLZOCXBDSA-N 2 0 247.342 0.712 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000309517931 259343528 /nfs/dbraw/zinc/34/35/28/259343528.db2.gz ZFXBJSUTSICTDJ-NXEZZACHSA-N 2 0 211.309 0.077 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1CCCCC[NH2+]1 ZINC000368750309 187221096 /nfs/dbraw/zinc/22/10/96/187221096.db2.gz OJFMRLUVBNFCJG-VXGBXAGGSA-N 2 0 239.363 0.634 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373054362 187223854 /nfs/dbraw/zinc/22/38/54/187223854.db2.gz VSDPKSBJGHDNJE-NWDGAFQWSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000309416888 259343487 /nfs/dbraw/zinc/34/34/87/259343487.db2.gz JIOCCLOXDXUSQF-XFWSIPNHSA-N 2 0 213.325 0.084 20 0 BCADRP O=c1c2c([n-]n1CCCn1ccnc1)CC[NH2+]C2 ZINC000634633728 343046580 /nfs/dbraw/zinc/04/65/80/343046580.db2.gz DTRQAWUXUWSRMX-SNVBAGLBSA-N 2 0 247.302 0.081 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])C[NH+]1CCCC1 ZINC000062082713 343047373 /nfs/dbraw/zinc/04/73/73/343047373.db2.gz HMAAGVFCXYUENZ-MXWKQRLJSA-N 2 0 225.336 0.182 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089326 343059096 /nfs/dbraw/zinc/05/90/96/343059096.db2.gz VYYOGWPNJYLODT-BDAKNGLRSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000119004514 343065455 /nfs/dbraw/zinc/06/54/55/343065455.db2.gz PAQRGLIFFZRUPY-GMTAPVOTSA-N 2 0 200.326 0.830 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000576837845 365700362 /nfs/dbraw/zinc/70/03/62/365700362.db2.gz FQJQLBIZORJPEC-JTQLQIEISA-N 2 0 240.351 0.213 20 0 BCADRP CC[C@](C)([NH3+])c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000584880932 343081554 /nfs/dbraw/zinc/08/15/54/343081554.db2.gz BEKQRQFSQISPAF-SCZZXKLOSA-N 2 0 209.297 0.396 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000576872497 365708123 /nfs/dbraw/zinc/70/81/23/365708123.db2.gz REVSTOMLAAZMNG-GUBZILKMSA-N 2 0 213.325 0.165 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000236648282 343105489 /nfs/dbraw/zinc/10/54/89/343105489.db2.gz CXPGLCHGYVRDFQ-QWRGUYRKSA-N 2 0 227.352 0.665 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC000044802177 187232125 /nfs/dbraw/zinc/23/21/25/187232125.db2.gz VZBZNEHAAYKVBH-LBPRGKRZSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)Cn1cccn1 ZINC000049556989 343111803 /nfs/dbraw/zinc/11/18/03/343111803.db2.gz IORUFOHZFBJFKW-RYUDHWBXSA-N 2 0 240.351 0.174 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000418687777 192060613 /nfs/dbraw/zinc/06/06/13/192060613.db2.gz AJUCJIZNWDPMAE-AXTSPUMRSA-N 2 0 228.340 0.114 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000092956339 343150216 /nfs/dbraw/zinc/15/02/16/343150216.db2.gz YCIYVYCLTPBMLF-PWSUYJOCSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H](CC(=O)N1CC[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000237541359 343147730 /nfs/dbraw/zinc/14/77/30/343147730.db2.gz KLFTYWYAYAKFCW-GRYCIOLGSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000092949843 343148630 /nfs/dbraw/zinc/14/86/30/343148630.db2.gz PQDZXODDABFSBV-QWRGUYRKSA-N 2 0 241.379 0.688 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000237125502 343126887 /nfs/dbraw/zinc/12/68/87/343126887.db2.gz PLWZJXPLWVNJAZ-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000237157967 343127676 /nfs/dbraw/zinc/12/76/76/343127676.db2.gz BZSADJMJIXCESQ-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000237145903 343127767 /nfs/dbraw/zinc/12/77/67/343127767.db2.gz VNCAGELQLRYJFE-AAEUAGOBSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]Cc1cccc(NC(=O)C2([NH3+])CC2)c1 ZINC000237203636 343130846 /nfs/dbraw/zinc/13/08/46/343130846.db2.gz ZGWXFQCMIMTMFO-UHFFFAOYSA-N 2 0 219.288 0.836 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000092956244 343149736 /nfs/dbraw/zinc/14/97/36/343149736.db2.gz HTCKKOVSIDOEPS-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]C1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000237060930 136272034 /nfs/dbraw/zinc/27/20/34/136272034.db2.gz MAOJITRCIJGELX-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H](C(=O)NCCC[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000131714155 343184597 /nfs/dbraw/zinc/18/45/97/343184597.db2.gz NRGAZYGDKLXEOP-JQWIXIFHSA-N 2 0 235.331 0.788 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)CCC1CC[NH2+]CC1 ZINC000237597050 343152434 /nfs/dbraw/zinc/15/24/34/343152434.db2.gz GVYRNYHEAPZRDD-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP Cc1n[nH]cc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000330679125 187242327 /nfs/dbraw/zinc/24/23/27/187242327.db2.gz XJRRHIVOGXHQBW-UHFFFAOYSA-N 2 0 238.335 0.264 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000123781185 343166151 /nfs/dbraw/zinc/16/61/51/343166151.db2.gz CQQHNKOIEZDVKS-SNVBAGLBSA-N 2 0 222.336 0.979 20 0 BCADRP Cn1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000123988669 343166314 /nfs/dbraw/zinc/16/63/14/343166314.db2.gz NABWXTCTAMUICO-LLVKDONJSA-N 2 0 222.336 0.981 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccc(C[NH3+])o2)[C@H](C)C[NH2+]1 ZINC000237479660 136272295 /nfs/dbraw/zinc/27/22/95/136272295.db2.gz OAPLUALBYPAVHL-RKDXNWHRSA-N 2 0 237.303 0.561 20 0 BCADRP CC[NH+]1CCC(CNC(=O)C2([NH3+])CCC2)CC1 ZINC000148186817 343196137 /nfs/dbraw/zinc/19/61/37/343196137.db2.gz SRQLAFVHPXVEMW-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP CC[NH+]1CCC(CNC(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000156857764 343199194 /nfs/dbraw/zinc/19/91/94/343199194.db2.gz JJVPNEFXZCUFHU-WDEREUQCSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000157011990 343199359 /nfs/dbraw/zinc/19/93/59/343199359.db2.gz VWAYPTYQOYVYIE-VXGBXAGGSA-N 2 0 239.363 0.444 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000157232513 343199495 /nfs/dbraw/zinc/19/94/95/343199495.db2.gz XFRWYLLGJNMWFY-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000161081555 343204106 /nfs/dbraw/zinc/20/41/06/343204106.db2.gz IEZDGSFOMDCTSF-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H]1C[C@H](NC(=O)CC2([NH3+])CC2)CC[N@@H+]1C ZINC000398073944 488207582 /nfs/dbraw/zinc/20/75/82/488207582.db2.gz AVAUGHRBQPFWQP-VHSXEESVSA-N 2 0 225.336 0.467 20 0 BCADRP COC[C@H](C)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000163553593 343206823 /nfs/dbraw/zinc/20/68/23/343206823.db2.gz ZTRNBBWYRMZPQO-MXWKQRLJSA-N 2 0 200.326 0.938 20 0 BCADRP COC[C@H](C)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000163553400 343206889 /nfs/dbraw/zinc/20/68/89/343206889.db2.gz ZTRNBBWYRMZPQO-GMTAPVOTSA-N 2 0 200.326 0.938 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167498334 343208913 /nfs/dbraw/zinc/20/89/13/343208913.db2.gz JWRVXONYFBGRIC-UTUOFQBUSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCCCC[NH3+])C1 ZINC000167421501 343209230 /nfs/dbraw/zinc/20/92/30/343209230.db2.gz NDFMWJWMXJNNJK-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP CC(C)(C)NC(=O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000168502959 343210301 /nfs/dbraw/zinc/21/03/01/343210301.db2.gz AOYURTNEOLSPBQ-VHSXEESVSA-N 2 0 227.352 0.761 20 0 BCADRP CC(C)(C)NC(=O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000168503234 343210640 /nfs/dbraw/zinc/21/06/40/343210640.db2.gz AOYURTNEOLSPBQ-ZJUUUORDSA-N 2 0 227.352 0.761 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000165391376 343211270 /nfs/dbraw/zinc/21/12/70/343211270.db2.gz JUDJUOCBIVYZMH-DCAQKATOSA-N 2 0 227.352 0.428 20 0 BCADRP Cn1cc(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000311213171 136275910 /nfs/dbraw/zinc/27/59/10/136275910.db2.gz MCEKNMIEPFHKGN-OKILXGFUSA-N 2 0 248.374 0.894 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000237904058 343217006 /nfs/dbraw/zinc/21/70/06/343217006.db2.gz TVJWARDFUDZDHC-KXUCPTDWSA-N 2 0 211.309 0.064 20 0 BCADRP C[NH2+][C@H]1CCN(CCN2CCO[C@H](C)C2)C1 ZINC000569723613 323038736 /nfs/dbraw/zinc/03/87/36/323038736.db2.gz GACMCZWXHHHPFL-NEPJUHHUSA-N 2 0 227.352 0.001 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000398065708 488206865 /nfs/dbraw/zinc/20/68/65/488206865.db2.gz JGFUNBAULCLFFB-VIFPVBQESA-N 2 0 211.309 0.078 20 0 BCADRP CC(C)CNC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000019843232 343258558 /nfs/dbraw/zinc/25/85/58/343258558.db2.gz HUBRJPUEWZNWEZ-UHFFFAOYSA-N 2 0 227.352 0.429 20 0 BCADRP C[NH+](C)CC1CC[NH+](C[C@H]2CNCCO2)CC1 ZINC000043802888 488209982 /nfs/dbraw/zinc/20/99/82/488209982.db2.gz PCKQDYVFEHTAOO-CYBMUJFWSA-N 2 0 241.379 0.248 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000121548061 343267732 /nfs/dbraw/zinc/26/77/32/343267732.db2.gz OLZCKSFCGNGJSM-NSHDSACASA-N 2 0 241.379 0.738 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000418703079 192062007 /nfs/dbraw/zinc/06/20/07/192062007.db2.gz BENWIVWUXIQQKN-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP [NH3+]CCOCCN1CC[C@H](C[NH3+])c2ccccc21 ZINC000634690531 343275859 /nfs/dbraw/zinc/27/58/59/343275859.db2.gz NAULSCXWGSDCRT-GFCCVEGCSA-N 2 0 249.358 0.914 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000020217843 343280060 /nfs/dbraw/zinc/28/00/60/343280060.db2.gz BESCCYVNRMPBFO-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000335285823 136293048 /nfs/dbraw/zinc/29/30/48/136293048.db2.gz IKKIGVBWXNIWQD-MNOVXSKESA-N 2 0 225.336 0.323 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621373558 343316717 /nfs/dbraw/zinc/31/67/17/343316717.db2.gz KUWWGSKRVVDUBZ-AGIUHOORSA-N 2 0 244.379 0.249 20 0 BCADRP [NH3+]CC1(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000335624287 136299342 /nfs/dbraw/zinc/29/93/42/136299342.db2.gz BOQVYJFGVBISRK-UHFFFAOYSA-N 3 0 223.364 0.801 20 0 BCADRP C[C@@H](CNC(=O)c1ccc(C[NH3+])cc1)[NH+](C)C ZINC000038089234 343370350 /nfs/dbraw/zinc/37/03/50/343370350.db2.gz LSLNLWBYVJUJSO-JTQLQIEISA-N 2 0 235.331 0.825 20 0 BCADRP O=C(C[C@@H]1CC[NH2+]C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000335652784 136305593 /nfs/dbraw/zinc/30/55/93/136305593.db2.gz BBBQZENWAVTRSK-DTWKUNHWSA-N 2 0 247.289 0.099 20 0 BCADRP [NH3+]C1(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000335657953 136306861 /nfs/dbraw/zinc/30/68/61/136306861.db2.gz PTFNQXJCGINCKT-UHFFFAOYSA-N 2 0 237.347 0.611 20 0 BCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH3+])C1 ZINC000335657948 136307047 /nfs/dbraw/zinc/30/70/47/136307047.db2.gz PRIQPZFNDXQOKK-NEPJUHHUSA-N 2 0 239.363 0.668 20 0 BCADRP [NH3+]C1(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000335662875 136315350 /nfs/dbraw/zinc/31/53/50/136315350.db2.gz PMFPXDQLUQWAJY-GHMZBOCLSA-N 2 0 237.347 0.326 20 0 BCADRP CC(C)[C@H]1CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000166230594 136315689 /nfs/dbraw/zinc/31/56/89/136315689.db2.gz ADQPXUTWIRFGTN-ZDUSSCGKSA-N 2 0 225.380 0.870 20 0 BCADRP CN(C(=O)[C@H]1C[C@]12CC[NH2+]C2)C1(C[NH3+])CCC1 ZINC000335664340 136315801 /nfs/dbraw/zinc/31/58/01/136315801.db2.gz ZYECZFZGGSMVDS-PWSUYJOCSA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)co1 ZINC000335663085 136316108 /nfs/dbraw/zinc/31/61/08/136316108.db2.gz QJDTUWPPANXDGE-JOYOIKCWSA-N 2 0 249.314 0.562 20 0 BCADRP CN(C[C@H](O)C[NH2+]CC(C)(C)CCO)C1CC1 ZINC000310238010 343399137 /nfs/dbraw/zinc/39/91/37/343399137.db2.gz IMOQUCGOQAWQFK-GFCCVEGCSA-N 2 0 244.379 0.440 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000040430933 343402583 /nfs/dbraw/zinc/40/25/83/343402583.db2.gz XFYBZUXCROCCGL-PWSUYJOCSA-N 2 0 235.331 0.753 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000353423059 187337974 /nfs/dbraw/zinc/33/79/74/187337974.db2.gz CQQNLSFQLUKACM-WOPDTQHZSA-N 2 0 239.363 0.474 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335732788 136349545 /nfs/dbraw/zinc/34/95/45/136349545.db2.gz SHVNNXQXDOHTIL-LBPRGKRZSA-N 2 0 225.336 0.198 20 0 BCADRP c1cn(CC[N@@H+]2CCC[C@H]3COC[C@H]32)cn1 ZINC000367093850 136350327 /nfs/dbraw/zinc/35/03/27/136350327.db2.gz VIKBFQRDSJVDSQ-NWDGAFQWSA-N 2 0 221.304 0.994 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000418705552 192062805 /nfs/dbraw/zinc/06/28/05/192062805.db2.gz DWYJVXRAPYBJAV-GARJFASQSA-N 2 0 242.367 0.493 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000335684832 136329784 /nfs/dbraw/zinc/32/97/84/136329784.db2.gz AOFZURYDNSTAMR-YPMHNXCESA-N 2 0 247.342 0.802 20 0 BCADRP CCN1C[C@H](C)[C@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000349189143 136330832 /nfs/dbraw/zinc/33/08/32/136330832.db2.gz FEWZOYQLRVOSCX-QWHCGFSZSA-N 2 0 243.395 0.494 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418704310 192062985 /nfs/dbraw/zinc/06/29/85/192062985.db2.gz RISYXFJWGYMMDV-HBNTYKKESA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C1CC[NH2+]CC1 ZINC000335718128 136340000 /nfs/dbraw/zinc/34/00/00/136340000.db2.gz UAICEVMRSZRREL-ZYHUDNBSSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000310344639 343451266 /nfs/dbraw/zinc/45/12/66/343451266.db2.gz DWWSXALQQNPCNV-DTWKUNHWSA-N 2 0 249.305 0.522 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000261542286 136374402 /nfs/dbraw/zinc/37/44/02/136374402.db2.gz GMUFBYXGGAICCY-ONGXEEELSA-N 2 0 213.325 0.230 20 0 BCADRP CC[NH+](CC)CCN(CCOC)C(=O)CC[NH3+] ZINC000262670367 136374747 /nfs/dbraw/zinc/37/47/47/136374747.db2.gz NNARLLZGPRXHAG-UHFFFAOYSA-N 2 0 245.367 0.152 20 0 BCADRP CCC[N@@H+]1CCCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000083961260 343511512 /nfs/dbraw/zinc/51/15/12/343511512.db2.gz VSEFQNLISZEQQA-JTQLQIEISA-N 2 0 213.325 0.278 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN(C)C[C@@H]1CCC[NH+]1C ZINC000310490060 343515287 /nfs/dbraw/zinc/51/52/87/343515287.db2.gz FTJCQIUIIDYLIM-STQMWFEESA-N 2 0 243.395 0.325 20 0 BCADRP CN1CC[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1=O ZINC000310539924 343528518 /nfs/dbraw/zinc/52/85/18/343528518.db2.gz BXQBVERGDFMJQI-TUAOUCFPSA-N 2 0 237.347 0.149 20 0 BCADRP CC[C@@H]1CO[C@@H](C)CN1C[C@H](O)C[N@H+](C)CC ZINC000310564999 343537602 /nfs/dbraw/zinc/53/76/02/343537602.db2.gz XCYLXCRGNZBMOJ-YNEHKIRRSA-N 2 0 244.379 0.798 20 0 BCADRP CC[C@H](C(=O)N(C)CC1C[NH+](C)C1)[NH+](C)C ZINC000618192397 343584056 /nfs/dbraw/zinc/58/40/56/343584056.db2.gz MGLMSWUGFZDQDN-LLVKDONJSA-N 2 0 227.352 0.347 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cnnn1C ZINC000577026128 365773711 /nfs/dbraw/zinc/77/37/11/365773711.db2.gz ITJZORMDUZQACS-ZYHUDNBSSA-N 2 0 237.351 0.587 20 0 BCADRP C[C@]1(C(=O)NCC[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000152685855 343587368 /nfs/dbraw/zinc/58/73/68/343587368.db2.gz FUDQYJSAUNELJO-YPMHNXCESA-N 2 0 239.363 0.492 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC[N@H+](C)C1CC1 ZINC000086068913 343609327 /nfs/dbraw/zinc/60/93/27/343609327.db2.gz ZNWDRCSIZMYHPB-SECBINFHSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000086068253 343609338 /nfs/dbraw/zinc/60/93/38/343609338.db2.gz KUMHVVFRFMWLPZ-NXEZZACHSA-N 2 0 215.341 0.298 20 0 BCADRP C[C@@H]1CN(C(=O)C[NH2+]CC2CC2)C[C@H](C)[NH2+]1 ZINC000153807121 323053739 /nfs/dbraw/zinc/05/37/39/323053739.db2.gz XRIMRZDHSXSINJ-AOOOYVTPSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]1CN(C(=O)CC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000621623135 343677156 /nfs/dbraw/zinc/67/71/56/343677156.db2.gz WMGQLEWADORUDS-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000621623136 343677394 /nfs/dbraw/zinc/67/73/94/343677394.db2.gz WMGQLEWADORUDS-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621653073 343693323 /nfs/dbraw/zinc/69/33/23/343693323.db2.gz OSKWDRDIESXVOD-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC1([NH3+])CCC1 ZINC000584111441 343696209 /nfs/dbraw/zinc/69/62/09/343696209.db2.gz DPJCHBUDUAMSNE-RKDXNWHRSA-N 2 0 228.340 0.293 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000584111932 343697213 /nfs/dbraw/zinc/69/72/13/343697213.db2.gz DJZOUHAPHIEZTC-CIUDSAMLSA-N 2 0 216.329 0.149 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000309022966 346953913 /nfs/dbraw/zinc/95/39/13/346953913.db2.gz YIXYMFAFEDKMGA-BDAKNGLRSA-N 2 0 201.314 0.215 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000309000698 346954104 /nfs/dbraw/zinc/95/41/04/346954104.db2.gz OAXLELRBKWJLJT-DTWKUNHWSA-N 2 0 201.314 0.357 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NCC[C@@H](C)[NH3+] ZINC000309000700 346954287 /nfs/dbraw/zinc/95/42/87/346954287.db2.gz OAXLELRBKWJLJT-RKDXNWHRSA-N 2 0 201.314 0.357 20 0 BCADRP [NH3+]C1(CNC(=O)C[NH2+]C2CC2)CCCCC1 ZINC000153904009 343706018 /nfs/dbraw/zinc/70/60/18/343706018.db2.gz JXHMBYRGSMNETK-UHFFFAOYSA-N 2 0 225.336 0.516 20 0 BCADRP [NH3+][C@H](CNC(=O)C[NH2+]C1CC1)c1ccccc1 ZINC000153918768 343706208 /nfs/dbraw/zinc/70/62/08/343706208.db2.gz OYPMGSUKYOLTNH-GFCCVEGCSA-N 2 0 233.315 0.555 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)NC(C)(C)C[NH+](C)C ZINC000418716919 192064201 /nfs/dbraw/zinc/06/42/01/192064201.db2.gz ZAMJVBCVOXRZEW-SNVBAGLBSA-N 2 0 244.383 0.753 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000154049565 343709373 /nfs/dbraw/zinc/70/93/73/343709373.db2.gz SEOOCRRTFZDONG-MNOVXSKESA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000418725424 192065087 /nfs/dbraw/zinc/06/50/87/192065087.db2.gz LCSIIQCXHHCVNZ-OUAUKWLOSA-N 2 0 242.367 0.635 20 0 BCADRP CC(C)NC(=O)CC[N@@H+]1CCc2nc[nH]c2C1 ZINC000625436969 343734225 /nfs/dbraw/zinc/73/42/25/343734225.db2.gz JXQGSZTYPPAPLN-UHFFFAOYSA-N 2 0 236.319 0.683 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000576225403 343724492 /nfs/dbraw/zinc/72/44/92/343724492.db2.gz IXUAJRIGPGUOQQ-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC1)[C@H](C)[NH3+] ZINC000418733001 192064894 /nfs/dbraw/zinc/06/48/94/192064894.db2.gz UZHFOIAZHWQZDB-VHSXEESVSA-N 2 0 242.367 0.458 20 0 BCADRP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418731484 192065539 /nfs/dbraw/zinc/06/55/39/192065539.db2.gz SVYONPPIHKTRAJ-MNOVXSKESA-N 2 0 244.383 0.704 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C1([NH3+])CCC1 ZINC000584231077 343776056 /nfs/dbraw/zinc/77/60/56/343776056.db2.gz WQTXTEVWBOZFLF-IUCAKERBSA-N 2 0 211.309 0.064 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[C@H](C)[NH3+] ZINC000584231224 343776377 /nfs/dbraw/zinc/77/63/77/343776377.db2.gz HRJUWVHWFFBNCA-MWGHHZFTSA-N 2 0 227.352 0.413 20 0 BCADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C1([NH3+])CC1 ZINC000262133548 349853026 /nfs/dbraw/zinc/85/30/26/349853026.db2.gz NBWWPAZRYQPODY-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000584231358 343776539 /nfs/dbraw/zinc/77/65/39/343776539.db2.gz PUPZVMAHCUCOCG-GHMZBOCLSA-N 2 0 227.352 0.620 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CC[NH+](C(C)C)CC1 ZINC000418728153 192065143 /nfs/dbraw/zinc/06/51/43/192065143.db2.gz MXMCWMPUNNLDDN-NSHDSACASA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000621703227 343755944 /nfs/dbraw/zinc/75/59/44/343755944.db2.gz ASSHAPXNUXKERJ-VIFPVBQESA-N 2 0 225.336 0.502 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000584113029 343759547 /nfs/dbraw/zinc/75/95/47/343759547.db2.gz WYLMKWLFDBHHGR-VPOLOUISSA-N 2 0 243.326 0.320 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N(CC)CCC[NH+](C)C ZINC000418731764 192065511 /nfs/dbraw/zinc/06/55/11/192065511.db2.gz QCWNDDGJVDCUIJ-LLVKDONJSA-N 2 0 244.383 0.707 20 0 BCADRP C[C@H](C(N)=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150826110 349862620 /nfs/dbraw/zinc/86/26/20/349862620.db2.gz IKIINSAKBSXBOB-GHMZBOCLSA-N 2 0 225.336 0.278 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000418735499 192065808 /nfs/dbraw/zinc/06/58/08/192065808.db2.gz SUVVTORZEQNKSB-MXWKQRLJSA-N 2 0 242.367 0.493 20 0 BCADRP Cc1cc(C[NH+]2CCC(O)(C[NH3+])CC2)ccn1 ZINC000621776471 343899513 /nfs/dbraw/zinc/89/95/13/343899513.db2.gz LZVIDOMRXFCNLJ-UHFFFAOYSA-N 2 0 235.331 0.676 20 0 BCADRP [NH3+][C@]12CCC[C@H]1C[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000621784310 343909104 /nfs/dbraw/zinc/90/91/04/343909104.db2.gz MXHMIKYVOSEVRB-AGIUHOORSA-N 3 0 223.364 0.799 20 0 BCADRP CC(C)([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000040920518 187355277 /nfs/dbraw/zinc/35/52/77/187355277.db2.gz CZLHWLWEBJVZMM-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP CC(C)(CO)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000395122429 362257063 /nfs/dbraw/zinc/25/70/63/362257063.db2.gz VAOHJVNTXGIOKJ-GFCCVEGCSA-N 2 0 244.379 0.441 20 0 BCADRP [NH3+]CCCc1cn(CC2CC[NH2+]CC2)nn1 ZINC000641232709 362284287 /nfs/dbraw/zinc/28/42/87/362284287.db2.gz KDAWYVKNXHBDLU-UHFFFAOYSA-N 2 0 223.324 0.169 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)NC[C@H]1CCC[NH2+]C1 ZINC000130140419 344118312 /nfs/dbraw/zinc/11/83/12/344118312.db2.gz UIXSUBZXCHVIPH-QWRGUYRKSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH+]1CCN(CCNc2ccncc2F)CC1 ZINC000641269593 362339892 /nfs/dbraw/zinc/33/98/92/362339892.db2.gz SPYGQAOQQNZGRL-UHFFFAOYSA-N 2 0 238.310 0.302 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634733748 344114098 /nfs/dbraw/zinc/11/40/98/344114098.db2.gz MUNPLJPMZNVAEF-FQUUOJAGSA-N 2 0 237.391 0.964 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC000634735320 344121965 /nfs/dbraw/zinc/12/19/65/344121965.db2.gz CFBIBVHLBKPZOJ-XQHKEYJVSA-N 2 0 224.348 0.953 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000156388578 344131985 /nfs/dbraw/zinc/13/19/85/344131985.db2.gz JCUCVUYUGZQENB-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000130462817 344139984 /nfs/dbraw/zinc/13/99/84/344139984.db2.gz MFMWRGBUOGHKMY-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]([NH3+])CC ZINC000130583589 344150112 /nfs/dbraw/zinc/15/01/12/344150112.db2.gz RTWNMKYKXQZFHE-GHMZBOCLSA-N 2 0 245.367 0.197 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]([NH3+])CC ZINC000130583796 344150260 /nfs/dbraw/zinc/15/02/60/344150260.db2.gz RTWNMKYKXQZFHE-WDEREUQCSA-N 2 0 245.367 0.197 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000130628451 344151068 /nfs/dbraw/zinc/15/10/68/344151068.db2.gz NBTBOEDYFPPHEA-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCOCCO)CC[N@@H+]1C ZINC000129749685 344214460 /nfs/dbraw/zinc/21/44/60/344214460.db2.gz SXKWBEVMVLZQQE-QWRGUYRKSA-N 2 0 216.325 0.068 20 0 BCADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000622044973 344229340 /nfs/dbraw/zinc/22/93/40/344229340.db2.gz YZDLLPWKMBKROS-DCAQKATOSA-N 2 0 215.341 0.080 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000622044769 344229432 /nfs/dbraw/zinc/22/94/32/344229432.db2.gz RXVFYYFFOCQRML-YNEHKIRRSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000580324101 347037883 /nfs/dbraw/zinc/03/78/83/347037883.db2.gz ZCWXIKNHFYGPIF-GFCCVEGCSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000131772551 344234969 /nfs/dbraw/zinc/23/49/69/344234969.db2.gz VXJJDAYUULWWAZ-UWVGGRQHSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)N(C)C ZINC000126877848 344186008 /nfs/dbraw/zinc/18/60/08/344186008.db2.gz ZQGMBXAAJMBCCZ-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)CCCC[NH3+])C1 ZINC000084420104 344192040 /nfs/dbraw/zinc/19/20/40/344192040.db2.gz FLPDRTDYCUKPHJ-LLVKDONJSA-N 2 0 227.352 0.668 20 0 BCADRP CC(C)C[C@H](CNC(=O)[C@H](C)[NH3+])[NH+](C)C ZINC000040831280 187289772 /nfs/dbraw/zinc/28/97/72/187289772.db2.gz MRYHWMRBNKOEGZ-VHSXEESVSA-N 2 0 215.341 0.426 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752452 344203531 /nfs/dbraw/zinc/20/35/31/344203531.db2.gz LZJZIXHUZJUCHB-MNOVXSKESA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752451 344203539 /nfs/dbraw/zinc/20/35/39/344203539.db2.gz LZJZIXHUZJUCHB-GHMZBOCLSA-N 2 0 241.379 0.864 20 0 BCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C2([NH3+])CC2)C1 ZINC000634752547 344204794 /nfs/dbraw/zinc/20/47/94/344204794.db2.gz OCANSEVCARVEFY-VIFPVBQESA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752817 344205448 /nfs/dbraw/zinc/20/54/48/344205448.db2.gz STWKFZLMZUFQAL-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCOC2)CC1 ZINC000336759948 537843617 /nfs/dbraw/zinc/84/36/17/537843617.db2.gz JJUCTXQABKYYMO-NSHDSACASA-N 2 0 228.336 0.212 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000131328258 344266926 /nfs/dbraw/zinc/26/69/26/344266926.db2.gz HHCUOXYZQRBJLB-SECBINFHSA-N 2 0 221.304 0.939 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CCC[NH2+]1 ZINC000132020477 344267852 /nfs/dbraw/zinc/26/78/52/344267852.db2.gz JSHQMHHGPOHXBE-UWVGGRQHSA-N 2 0 213.325 0.372 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634763827 344276086 /nfs/dbraw/zinc/27/60/86/344276086.db2.gz DQBUFHUHOPJHQQ-LLVKDONJSA-N 2 0 241.379 0.879 20 0 BCADRP CC1(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C[NH2+]C1 ZINC000634763643 344276157 /nfs/dbraw/zinc/27/61/57/344276157.db2.gz ADUUMZWAFQYFRN-JTQLQIEISA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000381250284 344279036 /nfs/dbraw/zinc/27/90/36/344279036.db2.gz PFLUXLAHGWXHSX-ZJUUUORDSA-N 2 0 215.341 0.474 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768790 344280709 /nfs/dbraw/zinc/28/07/09/344280709.db2.gz YVLPMXBFQQTJGW-UZWSLXQKSA-N 2 0 237.347 0.243 20 0 BCADRP CC[C@@H](C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2)[NH+](C)C ZINC000634769841 344283858 /nfs/dbraw/zinc/28/38/58/344283858.db2.gz QBEGAZDLHGFAGM-MDZLAQPJSA-N 2 0 239.363 0.585 20 0 BCADRP Cc1nc[nH]c1CC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634769668 344284087 /nfs/dbraw/zinc/28/40/87/344284087.db2.gz JUHFSEKCCJSGHS-MFKMUULPSA-N 2 0 248.330 0.519 20 0 BCADRP CC[NH+]1CCC(CNC(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000092136503 344289083 /nfs/dbraw/zinc/28/90/83/344289083.db2.gz COFTVWCDTMXKJF-NSHDSACASA-N 2 0 241.379 0.690 20 0 BCADRP NC(=O)C1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000093214316 344312504 /nfs/dbraw/zinc/31/25/04/344312504.db2.gz VDRMBFNVLZHHQU-POSLAHMBSA-N 2 0 239.363 0.890 20 0 BCADRP NC(=O)C1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000093214319 344312735 /nfs/dbraw/zinc/31/27/35/344312735.db2.gz VDRMBFNVLZHHQU-RUJICJSRSA-N 2 0 239.363 0.890 20 0 BCADRP CC[NH+]1CCC([NH2+]CC2(O)CCC2)CC1 ZINC000133433724 344318348 /nfs/dbraw/zinc/31/83/48/344318348.db2.gz CMFYASZMIWXFNW-UHFFFAOYSA-N 2 0 212.337 0.975 20 0 BCADRP C[C@H](C(=O)N1CCCCC1)N1CCC[NH2+]CC1 ZINC000034939726 344327179 /nfs/dbraw/zinc/32/71/79/344327179.db2.gz KQIUBUOJEYWWIF-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000131859065 344354706 /nfs/dbraw/zinc/35/47/06/344354706.db2.gz IHZFYMBRQOFPAR-GARJFASQSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000131853686 344354806 /nfs/dbraw/zinc/35/48/06/344354806.db2.gz UEILGERIDDSBIL-QWRGUYRKSA-N 2 0 227.352 0.583 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CCCCC(=O)OC)C1 ZINC000600705370 344360239 /nfs/dbraw/zinc/36/02/39/344360239.db2.gz QUCFCEZESMXLLA-NSHDSACASA-N 2 0 228.336 0.871 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)CC[NH2+]C(C)C)C1 ZINC000131535211 344299398 /nfs/dbraw/zinc/29/93/98/344299398.db2.gz UHWVXHYNQDSSKV-SNVBAGLBSA-N 2 0 213.325 0.195 20 0 BCADRP CCSCC[N@H+](C)CCOCC[NH2+]C ZINC000600729250 344364000 /nfs/dbraw/zinc/36/40/00/344364000.db2.gz UGMUCYDPPLPRHJ-UHFFFAOYSA-N 2 0 220.382 0.907 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000092950579 344306617 /nfs/dbraw/zinc/30/66/17/344306617.db2.gz VLEHGQDIBFRTEJ-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000584290957 344425967 /nfs/dbraw/zinc/42/59/67/344425967.db2.gz QWPXOWASVWKJQR-VHSXEESVSA-N 2 0 245.392 0.325 20 0 BCADRP [NH3+][C@@H]1CCCN(c2cc(-n3ccnc3)ncn2)C1 ZINC000634807346 344392292 /nfs/dbraw/zinc/39/22/92/344392292.db2.gz IGXRXFQGTIUQEN-SNVBAGLBSA-N 2 0 244.302 0.590 20 0 BCADRP [NH3+][C@H]1CCCN(c2ncnc3c2OCCN3)C1 ZINC000634807702 344392772 /nfs/dbraw/zinc/39/27/72/344392772.db2.gz XVSXHMUQANDPES-QMMMGPOBSA-N 2 0 235.291 0.208 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000600947417 344400941 /nfs/dbraw/zinc/40/09/41/344400941.db2.gz SVACIBAQXWMPHK-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH3+] ZINC000040920268 344410959 /nfs/dbraw/zinc/41/09/59/344410959.db2.gz GBITUVCHXRSXFZ-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(C)(C)[NH3+] ZINC000041680132 344439680 /nfs/dbraw/zinc/43/96/80/344439680.db2.gz IRNWBKDDDVLBLG-VIFPVBQESA-N 2 0 215.341 0.570 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C(C)(C)[NH3+] ZINC000041680287 344439699 /nfs/dbraw/zinc/43/96/99/344439699.db2.gz SFLKPYDNDQTSQE-UHFFFAOYSA-N 2 0 215.341 0.524 20 0 BCADRP C[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1C[NH3+] ZINC000380836394 344442484 /nfs/dbraw/zinc/44/24/84/344442484.db2.gz RRJNUHUBKHMGNS-QWRGUYRKSA-N 2 0 223.324 0.195 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000159055296 344506082 /nfs/dbraw/zinc/50/60/82/344506082.db2.gz BFWNHEJYUSAWNA-UTUOFQBUSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000564941315 344474608 /nfs/dbraw/zinc/47/46/08/344474608.db2.gz QTKWEKVYQTZIDK-NSHDSACASA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000577278357 344481685 /nfs/dbraw/zinc/48/16/85/344481685.db2.gz CPXXBLVDOCFUPG-HBNTYKKESA-N 2 0 225.336 0.038 20 0 BCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)CCC[NH3+] ZINC000036999101 344485286 /nfs/dbraw/zinc/48/52/86/344485286.db2.gz BOCFJBWCMUIDFP-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP C[NH+]1CCC(NC(=O)C[NH2+]CC2CC2)CC1 ZINC000037478284 344508834 /nfs/dbraw/zinc/50/88/34/344508834.db2.gz ZATOSJDZXREQNN-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000381685179 344534510 /nfs/dbraw/zinc/53/45/10/344534510.db2.gz YNFPJQRMRLKFDP-UHFFFAOYSA-N 2 0 213.325 0.087 20 0 BCADRP C[NH+]1CCC(NC(=O)C(C)(C)C[NH3+])CC1 ZINC000044751639 344546162 /nfs/dbraw/zinc/54/61/62/344546162.db2.gz YCOQXKBRRVFSGS-UHFFFAOYSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCCCC[NH+](C)C ZINC000045708582 344578042 /nfs/dbraw/zinc/57/80/42/344578042.db2.gz UCMWTCAXVYZFGU-VIFPVBQESA-N 2 0 201.314 0.039 20 0 BCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H](C)[NH3+])C1 ZINC000641425329 362410010 /nfs/dbraw/zinc/41/00/10/362410010.db2.gz OKTKONGBFHATPN-MNOVXSKESA-N 2 0 242.367 0.506 20 0 BCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H](C)[NH3+])C1 ZINC000641425333 362410200 /nfs/dbraw/zinc/41/02/00/362410200.db2.gz OKTKONGBFHATPN-WDEREUQCSA-N 2 0 242.367 0.506 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH3+] ZINC000237066440 344587953 /nfs/dbraw/zinc/58/79/53/344587953.db2.gz HIUDLVAMUBRFBU-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)NC[C@H](C)[NH3+] ZINC000641493778 362459222 /nfs/dbraw/zinc/45/92/22/362459222.db2.gz QBLPQZSOGVMDMK-JTQLQIEISA-N 2 0 230.356 0.317 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000641494347 362461012 /nfs/dbraw/zinc/46/10/12/362461012.db2.gz VIYVZTQLNMADID-VIFPVBQESA-N 2 0 228.340 0.069 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000574276322 344730597 /nfs/dbraw/zinc/73/05/97/344730597.db2.gz VIOZYYCHYUPBMA-YIZRAAEISA-N 2 0 247.289 0.098 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000574156387 344684256 /nfs/dbraw/zinc/68/42/56/344684256.db2.gz ZZFLFVDIEBMJLQ-LPEHRKFASA-N 2 0 228.340 0.163 20 0 BCADRP CSC[C@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000400002400 344747997 /nfs/dbraw/zinc/74/79/97/344747997.db2.gz OTELLIVHXZNOCG-SNVBAGLBSA-N 2 0 218.366 0.789 20 0 BCADRP CSC[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000400004725 344748257 /nfs/dbraw/zinc/74/82/57/344748257.db2.gz QHEZSCSLKCRGHZ-GFCCVEGCSA-N 2 0 243.420 0.719 20 0 BCADRP C[C@@H](C(=O)N[C@](C)(C[NH3+])C1CC1)[C@H](C)[NH3+] ZINC000309460469 347067493 /nfs/dbraw/zinc/06/74/93/347067493.db2.gz ORNQCKSMJIAVOY-VHSKPIJISA-N 2 0 213.325 0.213 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCn2ccnn2)C1 ZINC000163753562 323077032 /nfs/dbraw/zinc/07/70/32/323077032.db2.gz RWBLPQSBCDCLIJ-WDEREUQCSA-N 2 0 223.324 0.528 20 0 BCADRP CN(C)C(=O)CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000390112492 259380310 /nfs/dbraw/zinc/38/03/10/259380310.db2.gz AZHIKPFXUUZFQL-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000583380316 344855637 /nfs/dbraw/zinc/85/56/37/344855637.db2.gz ZYHOFJSIRWXSDY-YFKTTZPYSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000578378971 344845365 /nfs/dbraw/zinc/84/53/65/344845365.db2.gz UVALXFQHESDPCV-WPRPVWTQSA-N 2 0 201.314 0.084 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC(=O)N2)CC[N@@H+]1C ZINC000433088898 537872694 /nfs/dbraw/zinc/87/26/94/537872694.db2.gz DSCHOTQXZYPWIS-IJLUTSLNSA-N 2 0 239.363 0.727 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C ZINC000583435726 344953524 /nfs/dbraw/zinc/95/35/24/344953524.db2.gz BANBDQXLCUTXEV-VXGBXAGGSA-N 2 0 246.395 0.950 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NCC[NH+](C)C ZINC000339236116 537877865 /nfs/dbraw/zinc/87/78/65/537877865.db2.gz QTSADADXOIBSIJ-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NCC[NH+](C)C ZINC000339236115 537877916 /nfs/dbraw/zinc/87/79/16/537877916.db2.gz QTSADADXOIBSIJ-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631113865 344944945 /nfs/dbraw/zinc/94/49/45/344944945.db2.gz RQXKRNHEYVZWPB-UHFFFAOYSA-N 2 0 239.319 0.455 20 0 BCADRP COC[C@@H](CO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000234887976 537881138 /nfs/dbraw/zinc/88/11/38/537881138.db2.gz OTSAFYPQXCVRRA-CMPLNLGQSA-N 2 0 230.352 0.314 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000574749547 344989593 /nfs/dbraw/zinc/98/95/93/344989593.db2.gz AHHWYLLBRUGCHY-WGBDABJCSA-N 2 0 237.347 0.372 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000583448481 344997134 /nfs/dbraw/zinc/99/71/34/344997134.db2.gz COGXHOPAOAEPLO-MNOVXSKESA-N 2 0 227.352 0.666 20 0 BCADRP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+]1CCCC1 ZINC000667582288 537884375 /nfs/dbraw/zinc/88/43/75/537884375.db2.gz ROXNQANPLKVMLH-VXGBXAGGSA-N 2 0 210.321 0.851 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000155084520 345066942 /nfs/dbraw/zinc/06/69/42/345066942.db2.gz MRLZHHZKDHACDP-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000574876631 345068067 /nfs/dbraw/zinc/06/80/67/345068067.db2.gz AASFQQRXFYKZDK-XHNCKOQMSA-N 2 0 249.305 0.697 20 0 BCADRP CC[C@@H](C)[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000319032739 259382552 /nfs/dbraw/zinc/38/25/52/259382552.db2.gz SNYYBCCKUCFUEZ-NEPJUHHUSA-N 2 0 213.369 0.916 20 0 BCADRP OCCOCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000155824097 345107784 /nfs/dbraw/zinc/10/77/84/345107784.db2.gz MNMZLHWDYDGDSB-RYUDHWBXSA-N 2 0 228.336 0.212 20 0 BCADRP OCCOCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000155823889 345107805 /nfs/dbraw/zinc/10/78/05/345107805.db2.gz MNMZLHWDYDGDSB-NEPJUHHUSA-N 2 0 228.336 0.212 20 0 BCADRP CC[C@H]1CN(CC23CC(C2)C[NH2+]3)CC[C@H]1[NH3+] ZINC000634990870 345173170 /nfs/dbraw/zinc/17/31/70/345173170.db2.gz GKXCDNJTFJRIIN-CMOBGSAGSA-N 2 0 223.364 0.798 20 0 BCADRP C[NH2+]C[C@H]1CCN(C[C@@H](C[NH3+])C(C)C)C1 ZINC000634990846 345173420 /nfs/dbraw/zinc/17/34/20/345173420.db2.gz FOIWMWPUTKSKDD-VXGBXAGGSA-N 2 0 213.369 0.759 20 0 BCADRP CCCN(CC12CC(C1)C[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000634991169 345174181 /nfs/dbraw/zinc/17/41/81/345174181.db2.gz SEUDGUDWEOJUPK-OTTFEQOBSA-N 2 0 223.364 0.812 20 0 BCADRP C[C@@H]1CN(CC23CC(C2)C[NH2+]3)CC[C@@H]1[NH3+] ZINC000634991334 345174659 /nfs/dbraw/zinc/17/46/59/345174659.db2.gz ZVPXFTXEHZPORV-ZYGVAYEYSA-N 2 0 209.337 0.408 20 0 BCADRP C[C@@H]1CN(CC23CC(C2)C[NH2+]3)CC[C@H]1[NH3+] ZINC000634991331 345174786 /nfs/dbraw/zinc/17/47/86/345174786.db2.gz ZVPXFTXEHZPORV-QTAHKJALSA-N 2 0 209.337 0.408 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000634991742 345178633 /nfs/dbraw/zinc/17/86/33/345178633.db2.gz QAENKUGTNNXRAY-IJLUTSLNSA-N 2 0 213.369 0.886 20 0 BCADRP C(NCC12CC(C1)C[NH2+]2)[C@@H]1CCCC[NH2+]1 ZINC000634994382 345181695 /nfs/dbraw/zinc/18/16/95/345181695.db2.gz AVKOOPSLEWAVHL-CXQJBGSLSA-N 2 0 209.337 0.470 20 0 BCADRP C(C[C@@H]1CC[NH2+]C1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634994541 345181793 /nfs/dbraw/zinc/18/17/93/345181793.db2.gz GXDOJMGWASJJGM-UNXYVOJBSA-N 3 0 209.337 0.328 20 0 BCADRP C[C@@]1(F)C[NH2+]CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634994624 345182515 /nfs/dbraw/zinc/18/25/15/345182515.db2.gz JCVZFYQYXJEVOL-MOENNCHZSA-N 2 0 227.327 0.372 20 0 BCADRP CC(C)[C@@H](C[NH3+])CNC[C@@H]1CCCC[NH2+]1 ZINC000634994892 345182632 /nfs/dbraw/zinc/18/26/32/345182632.db2.gz PIHMCJOCKNYZBS-RYUDHWBXSA-N 2 0 213.369 0.949 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1CC12CC(C1)C[NH2+]2 ZINC000634994811 345182783 /nfs/dbraw/zinc/18/27/83/345182783.db2.gz NLQZOJAPAUDETE-DMOGRIERSA-N 2 0 209.337 0.421 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CC[NH2+]C[C@@](C)(F)C1 ZINC000634994645 345182789 /nfs/dbraw/zinc/18/27/89/345182789.db2.gz JNDJIRRPBIIAGG-VXGBXAGGSA-N 2 0 231.359 0.851 20 0 BCADRP CC(C)[C@H](C[NH3+])C[NH2+]CCCN1CC[NH2+]CC1 ZINC000634994663 345182795 /nfs/dbraw/zinc/18/27/95/345182795.db2.gz JXHQMVYRPGWQBA-CYBMUJFWSA-N 3 0 242.411 0.102 20 0 BCADRP CC(C)[C@@H](C[NH3+])C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000634995058 345183222 /nfs/dbraw/zinc/18/32/22/345183222.db2.gz TXPVZFDZEUKJGB-NEPJUHHUSA-N 3 0 213.369 0.807 20 0 BCADRP CC(C)[C@H](C[NH3+])C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000634995061 345183481 /nfs/dbraw/zinc/18/34/81/345183481.db2.gz TXPVZFDZEUKJGB-VXGBXAGGSA-N 3 0 213.369 0.807 20 0 BCADRP [NH3+]CC[C@@H](NCC1(C[NH3+])CC1)C(F)(F)F ZINC000634995313 345184255 /nfs/dbraw/zinc/18/42/55/345184255.db2.gz AKUXMAHGDIWPRO-SSDOTTSWSA-N 2 0 225.258 0.595 20 0 BCADRP C(CNCC12CC(C1)C[NH2+]2)C[NH2+]C1CC1 ZINC000634995641 345185049 /nfs/dbraw/zinc/18/50/49/345185049.db2.gz LEODXPYKYFRRIJ-UHFFFAOYSA-N 2 0 209.337 0.470 20 0 BCADRP CC(C)[C@@H](C[NH3+])C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000634995476 345185158 /nfs/dbraw/zinc/18/51/58/345185158.db2.gz GGZGGJMGDPQNNK-NWDGAFQWSA-N 3 0 225.380 0.949 20 0 BCADRP COC[C@@]1(CNC[C@@H](C[NH3+])C(C)C)CCC[NH2+]1 ZINC000634995721 345185340 /nfs/dbraw/zinc/18/53/40/345185340.db2.gz NBTPBFNRNCDZEN-OLZOCXBDSA-N 2 0 243.395 0.576 20 0 BCADRP C(C[NH2+]CC12CC(C1)C[NH2+]2)C[C@H]1CCC[NH2+]1 ZINC000634995606 345185449 /nfs/dbraw/zinc/18/54/49/345185449.db2.gz KFLLLYVMYBKUES-CPCZMJQVSA-N 3 0 223.364 0.860 20 0 BCADRP CC(C)[C@@H](C[NH3+])CNC[C@@H]1C[NH2+]CCCO1 ZINC000634995898 345185912 /nfs/dbraw/zinc/18/59/12/345185912.db2.gz SDSDNZQHODGUQS-RYUDHWBXSA-N 2 0 229.368 0.185 20 0 BCADRP CC(C)[C@@H](C[NH3+])CNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000634995811 345185943 /nfs/dbraw/zinc/18/59/43/345185943.db2.gz PMJIWEGSRWFBBV-DCAQKATOSA-N 2 0 217.332 0.507 20 0 BCADRP [NH3+]CC1(CNC[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000634995980 345186134 /nfs/dbraw/zinc/18/61/34/345186134.db2.gz VKEKOHOLAWUHDT-IUCAKERBSA-N 2 0 201.289 0.015 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000634995813 345186193 /nfs/dbraw/zinc/18/61/93/345186193.db2.gz PNJDBKHBOFUSHK-QTAHKJALSA-N 2 0 209.337 0.326 20 0 BCADRP CC(C)[C@H](C[NH3+])CN[C@@H]1CC[NH2+]C[C@H]1C ZINC000634995903 345186198 /nfs/dbraw/zinc/18/61/98/345186198.db2.gz SHRRXDZOJLOBGI-IJLUTSLNSA-N 2 0 213.369 0.805 20 0 BCADRP CC(C)[C@H](C[NH3+])CNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000634995812 345186228 /nfs/dbraw/zinc/18/62/28/345186228.db2.gz PMJIWEGSRWFBBV-VWYCJHECSA-N 2 0 217.332 0.507 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN[C@H](C)C[C@H](C)[NH3+] ZINC000634996920 345186405 /nfs/dbraw/zinc/18/64/05/345186405.db2.gz YYCINICNEMFQFU-AXFHLTTASA-N 2 0 201.358 0.933 20 0 BCADRP COC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156103929 345125361 /nfs/dbraw/zinc/12/53/61/345125361.db2.gz JVLXHWZWFXBPOR-IJLUTSLNSA-N 2 0 228.336 0.210 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CC[NH2+]C(C)(C)C1 ZINC000634996109 345186966 /nfs/dbraw/zinc/18/69/66/345186966.db2.gz ZMMHDWAFVLFAEV-LLVKDONJSA-N 2 0 213.369 0.901 20 0 BCADRP C[C@@H]1CC[C@H](CNCC23CC(C2)C[NH2+]3)O1 ZINC000634996226 345187354 /nfs/dbraw/zinc/18/73/54/345187354.db2.gz DKGRNOYLOFZMQG-QTAHKJALSA-N 2 0 210.321 0.896 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000634996190 345187364 /nfs/dbraw/zinc/18/73/64/345187364.db2.gz CDVXRNONTAVGPL-GRYCIOLGSA-N 3 0 213.369 0.947 20 0 BCADRP C[C@H]1CC[C@H](CNCC23CC(C2)C[NH2+]3)O1 ZINC000634996227 345187696 /nfs/dbraw/zinc/18/76/96/345187696.db2.gz DKGRNOYLOFZMQG-UZEXVOJHSA-N 2 0 210.321 0.896 20 0 BCADRP c1cn(C[C@@H]2CCN(CC34CC(C3)C[NH2+]4)C2)nn1 ZINC000634996524 345187828 /nfs/dbraw/zinc/18/78/28/345187828.db2.gz MPIXKWPJBLVZTF-PNESKVBLSA-N 2 0 247.346 0.352 20 0 BCADRP C[NH+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000635068068 345236619 /nfs/dbraw/zinc/23/66/19/345236619.db2.gz FVBMQYWTEOOFRA-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635134792 345256736 /nfs/dbraw/zinc/25/67/36/345256736.db2.gz KJDREKPTSDAUJY-SNVBAGLBSA-N 2 0 227.352 0.537 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635111641 345248773 /nfs/dbraw/zinc/24/87/73/345248773.db2.gz KJPBQYFMEVPBFX-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP c1cn([C@@H]2CCCN(CC34CC(C3)C[NH2+]4)C2)nn1 ZINC000634996721 345191771 /nfs/dbraw/zinc/19/17/71/345191771.db2.gz RWRHLOVDWRWJFM-OTTFEQOBSA-N 2 0 247.346 0.667 20 0 BCADRP CC1([NH3+])CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634993888 345192088 /nfs/dbraw/zinc/19/20/88/345192088.db2.gz JFIIOMQJMGMGKM-UHFFFAOYSA-N 2 0 209.337 0.552 20 0 BCADRP C(N1CC[NH+](C2CCC2)CC1)C12CC(C1)C[NH2+]2 ZINC000634993927 345192213 /nfs/dbraw/zinc/19/22/13/345192213.db2.gz KKFODCHESFWACP-UHFFFAOYSA-N 2 0 235.375 0.909 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC[C@@H](C[NH3+])C(C)C ZINC000634997830 345196513 /nfs/dbraw/zinc/19/65/13/345196513.db2.gz UJPOJGPSIZYVBT-GRYCIOLGSA-N 2 0 213.369 0.947 20 0 BCADRP CCn1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000634998382 345198275 /nfs/dbraw/zinc/19/82/75/345198275.db2.gz FAPKNNVSBPLYSG-CMPLNLGQSA-N 2 0 222.336 0.930 20 0 BCADRP C[C@H]1C[C@@H](CN2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000635001612 345201879 /nfs/dbraw/zinc/20/18/79/345201879.db2.gz AQJUFRZBJFVUMR-ZDEQEGDKSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@@]1(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC000635001615 345202026 /nfs/dbraw/zinc/20/20/26/345202026.db2.gz ASFBTQSUDOZRDY-GRYCIOLGSA-N 2 0 209.337 0.422 20 0 BCADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000635003166 345205313 /nfs/dbraw/zinc/20/53/13/345205313.db2.gz AFHFFIILBQQHJO-KKOKHZNYSA-N 3 0 211.353 0.973 20 0 BCADRP CCC[C@H](CCO)[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000635004260 345207548 /nfs/dbraw/zinc/20/75/48/345207548.db2.gz NUMMRYONIFJZEE-UMSGYPCISA-N 2 0 244.379 0.879 20 0 BCADRP C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)C1C[NH2+]C1 ZINC000635012808 345215076 /nfs/dbraw/zinc/21/50/76/345215076.db2.gz VPYVGTPXYFCXAV-JQWIXIFHSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000635349650 345318764 /nfs/dbraw/zinc/31/87/64/345318764.db2.gz ZOUBWYLGFIRDEO-WOPDTQHZSA-N 2 0 239.363 0.680 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)C[NH2+]C2CC2)cc1 ZINC000130985125 345290659 /nfs/dbraw/zinc/29/06/59/345290659.db2.gz HBJLYJXJPAULBZ-UHFFFAOYSA-N 2 0 219.288 0.836 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H](C)[NH+](C)C ZINC000635273056 345292736 /nfs/dbraw/zinc/29/27/36/345292736.db2.gz BGLCNEOBJGSZQU-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000635310825 345302373 /nfs/dbraw/zinc/30/23/73/345302373.db2.gz LXOWVDAJGQIWSH-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H](C(=O)N[C@@H](C)Cn1ccnc1)[NH+](C)C ZINC000635327554 345309353 /nfs/dbraw/zinc/30/93/53/345309353.db2.gz ZRRXPHWCYNGTBC-VHSXEESVSA-N 2 0 224.308 0.338 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC[NH+](C)CC1 ZINC000335981882 534993717 /nfs/dbraw/zinc/99/37/17/534993717.db2.gz HBOJZYNZXVUSEP-UHFFFAOYSA-N 2 0 227.352 0.491 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000449100619 201808754 /nfs/dbraw/zinc/80/87/54/201808754.db2.gz CIYQOQNUOOYUPG-ZJUUUORDSA-N 2 0 213.325 0.243 20 0 BCADRP CCSCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000158567061 345349615 /nfs/dbraw/zinc/34/96/15/345349615.db2.gz DUZYONLOSJAZBG-UHFFFAOYSA-N 2 0 245.392 0.103 20 0 BCADRP C[C@H](C(=O)NCC[N@H+](C)C1CC1)[NH+](C)C ZINC000635422780 345358049 /nfs/dbraw/zinc/35/80/49/345358049.db2.gz ZUFIRHNXIKSCAJ-SECBINFHSA-N 2 0 213.325 0.147 20 0 BCADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@H]2O)CC1 ZINC000335247936 187303046 /nfs/dbraw/zinc/30/30/46/187303046.db2.gz FTKNPUCIJHSFCW-VXGBXAGGSA-N 2 0 212.337 0.972 20 0 BCADRP C[C@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+](C)C ZINC000635481086 345390200 /nfs/dbraw/zinc/39/02/00/345390200.db2.gz NKFYQLOZDAXMMZ-MNOVXSKESA-N 2 0 227.352 0.489 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159054586 345404330 /nfs/dbraw/zinc/40/43/30/345404330.db2.gz GJSQPQZDBNLLGK-OUAUKWLOSA-N 2 0 239.363 0.713 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000449111785 201812201 /nfs/dbraw/zinc/81/22/01/201812201.db2.gz NYRTUMWJYWDPSR-VXGBXAGGSA-N 2 0 241.379 0.880 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000494573460 323088662 /nfs/dbraw/zinc/08/86/62/323088662.db2.gz FZKVEFNSERDCMN-HBNTYKKESA-N 2 0 227.352 0.556 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C)[C@H](C)C[NH3+] ZINC000449116157 201813050 /nfs/dbraw/zinc/81/30/50/201813050.db2.gz KDVAIJRYZIXMFK-BDAKNGLRSA-N 2 0 201.314 0.180 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449117593 201813186 /nfs/dbraw/zinc/81/31/86/201813186.db2.gz UZTRYRAANCRHMO-NXEZZACHSA-N 2 0 227.352 0.476 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC(C)(C)[NH3+] ZINC000449129030 201814742 /nfs/dbraw/zinc/81/47/42/201814742.db2.gz AZZXXVRLUFCYGG-SECBINFHSA-N 2 0 229.368 0.864 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000381346546 345430558 /nfs/dbraw/zinc/43/05/58/345430558.db2.gz ZDNDUSDZVBBCMW-ONGXEEELSA-N 2 0 213.325 0.087 20 0 BCADRP [NH3+]C[C@H](NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])C1CC1 ZINC000449129472 201817040 /nfs/dbraw/zinc/81/70/40/201817040.db2.gz VEHMKXHMLMBOSD-SRVKXCTJSA-N 2 0 239.363 0.748 20 0 BCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CC1CC1 ZINC000531357559 323088048 /nfs/dbraw/zinc/08/80/48/323088048.db2.gz BKQLWLTVWFCDMG-UHFFFAOYSA-N 2 0 241.379 0.738 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H](C)[NH+](C)C ZINC000635502333 345402961 /nfs/dbraw/zinc/40/29/61/345402961.db2.gz DNWRCHDWBJNWRI-LLVKDONJSA-N 2 0 229.368 0.737 20 0 BCADRP C[NH+](C)Cc1ccc(C(=O)NCC[NH3+])cc1 ZINC000082262496 345499284 /nfs/dbraw/zinc/49/92/84/345499284.db2.gz VSDRLLNMINJYSN-UHFFFAOYSA-N 2 0 221.304 0.437 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000336353822 187304246 /nfs/dbraw/zinc/30/42/46/187304246.db2.gz PGNHMKBFUJQKCQ-RKDXNWHRSA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000336646414 187304310 /nfs/dbraw/zinc/30/43/10/187304310.db2.gz BEOKLFLYKYRUAP-KXUCPTDWSA-N 2 0 213.325 0.165 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000449179993 201830651 /nfs/dbraw/zinc/83/06/51/201830651.db2.gz XWAGCVKGKNRKAF-WRWGMCAJSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000563091480 323091711 /nfs/dbraw/zinc/09/17/11/323091711.db2.gz BMANHIFXSZKCKZ-XWLWVQCSSA-N 2 0 242.367 0.409 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252852070 345588483 /nfs/dbraw/zinc/58/84/83/345588483.db2.gz IIMMJBYBGQKDOM-RCWTZXSCSA-N 2 0 227.352 0.569 20 0 BCADRP [NH3+]CCCC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000563114870 323093487 /nfs/dbraw/zinc/09/34/87/323093487.db2.gz FVJMRMCEGARAAR-SNVBAGLBSA-N 2 0 213.325 0.374 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000678866948 488291786 /nfs/dbraw/zinc/29/17/86/488291786.db2.gz YXFFCKGDQPJDLZ-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP CC(C)[N@H+](CCCn1ccnc1)CC(N)=O ZINC000182619459 187309261 /nfs/dbraw/zinc/30/92/61/187309261.db2.gz HRJLSWQDVXGQNW-UHFFFAOYSA-N 2 0 224.308 0.469 20 0 BCADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000111824825 345690958 /nfs/dbraw/zinc/69/09/58/345690958.db2.gz KVYQHBMRYZEAES-QWRGUYRKSA-N 2 0 211.353 0.668 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000216464402 345743309 /nfs/dbraw/zinc/74/33/09/345743309.db2.gz XGLJNUMVBXVQML-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000146552498 345713977 /nfs/dbraw/zinc/71/39/77/345713977.db2.gz IHTAALPMXIMOJZ-QWRGUYRKSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)CN(C)C)CC1 ZINC000148672677 345719410 /nfs/dbraw/zinc/71/94/10/345719410.db2.gz PHBBKOHFKOOOAW-UHFFFAOYSA-N 2 0 213.325 0.101 20 0 BCADRP [NH3+]CCCN1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000196816059 345725327 /nfs/dbraw/zinc/72/53/27/345725327.db2.gz XTLPHSOXUBVUOQ-GFCCVEGCSA-N 2 0 220.320 0.377 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H](C)[NH+](C)C ZINC000635559583 345760790 /nfs/dbraw/zinc/76/07/90/345760790.db2.gz SYGLIPDJAKRTEC-SNVBAGLBSA-N 2 0 215.341 0.393 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC(n3ccnc3)C2)C1 ZINC000635565055 345787328 /nfs/dbraw/zinc/78/73/28/345787328.db2.gz KTTKNTJXYYBDSC-LLVKDONJSA-N 2 0 248.330 0.608 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@H]([NH3+])C1CC1 ZINC000137511950 345847369 /nfs/dbraw/zinc/84/73/69/345847369.db2.gz FZBSCBGDUADVGB-JTQLQIEISA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C1(C[NH3+])CCCC1 ZINC000054128963 187360416 /nfs/dbraw/zinc/36/04/16/187360416.db2.gz RUNGFEDYYFZQPA-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[C@H](CO)C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000336760144 187312094 /nfs/dbraw/zinc/31/20/94/187312094.db2.gz LZEXGYYHTHPBJC-WOPDTQHZSA-N 2 0 214.353 0.791 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000381455650 345936725 /nfs/dbraw/zinc/93/67/25/345936725.db2.gz JIWSAHZARPJILL-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062861123 187361858 /nfs/dbraw/zinc/36/18/58/187361858.db2.gz IYMBZBFMQUSGCV-ZDUSSCGKSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH+](C)CC1(C(=O)Nc2ccncc2O)CC1 ZINC000635743516 346055268 /nfs/dbraw/zinc/05/52/68/346055268.db2.gz POAVZDGHJXDAOS-UHFFFAOYSA-N 2 0 235.287 0.489 20 0 BCADRP O=C(NCC[NH+]1CCC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000635725516 346036272 /nfs/dbraw/zinc/03/62/72/346036272.db2.gz USKBNLIEJGABMK-NXEZZACHSA-N 2 0 234.303 0.335 20 0 BCADRP C[C@H](C(=O)N1CC[NH+]2CCC1CC2)[NH+](C)C ZINC000635850394 346090023 /nfs/dbraw/zinc/09/00/23/346090023.db2.gz XRLMVOLOZIDLJL-SNVBAGLBSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH+](C)C ZINC000635953808 346122913 /nfs/dbraw/zinc/12/29/13/346122913.db2.gz MZLVAYUVQUMEQU-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000449399534 201903658 /nfs/dbraw/zinc/90/36/58/201903658.db2.gz BOGYYCQATVPTGF-GMTAPVOTSA-N 2 0 227.352 0.489 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)NCCC[NH+](C)C ZINC000586848595 346163094 /nfs/dbraw/zinc/16/30/94/346163094.db2.gz AIOLSSQODFABQY-UHFFFAOYSA-N 2 0 244.383 0.578 20 0 BCADRP CCOC[C@@H](O)C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000069278668 349943647 /nfs/dbraw/zinc/94/36/47/349943647.db2.gz ZNSGGQOKJAVCRC-STQMWFEESA-N 2 0 244.379 0.705 20 0 BCADRP CCOC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000069277612 349943830 /nfs/dbraw/zinc/94/38/30/349943830.db2.gz UKEHDSLNGPQDTH-DGCLKSJQSA-N 2 0 242.363 0.458 20 0 BCADRP CCOC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000069278656 349944055 /nfs/dbraw/zinc/94/40/55/349944055.db2.gz ZNSGGQOKJAVCRC-CHWSQXEVSA-N 2 0 244.379 0.705 20 0 BCADRP Cc1nc(C)c(C[NH2+]CCOCC[NH+](C)C)o1 ZINC000641748117 362675519 /nfs/dbraw/zinc/67/55/19/362675519.db2.gz NVDOBFCEWGNUSY-UHFFFAOYSA-N 2 0 241.335 0.959 20 0 BCADRP COC(=O)[C@@H]1C[C@H](F)CN1CC1CC[NH2+]CC1 ZINC000603427659 349949985 /nfs/dbraw/zinc/94/99/85/349949985.db2.gz CPRXDOFFXRMLDN-QWRGUYRKSA-N 2 0 244.310 0.571 20 0 BCADRP C[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000636053597 346300921 /nfs/dbraw/zinc/30/09/21/346300921.db2.gz LMKDRCJSLCBGHJ-GHMZBOCLSA-N 2 0 227.352 0.489 20 0 BCADRP C[C@H]1C[NH2+]CCN1C[C@@H]1CCCC[NH2+]C1 ZINC000669378362 537968049 /nfs/dbraw/zinc/96/80/49/537968049.db2.gz BJIPWWDJKGWMRM-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@H](C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C)[NH+](C)C ZINC000636121174 346324915 /nfs/dbraw/zinc/32/49/15/346324915.db2.gz UYWFWEUZHZALBZ-VWYCJHECSA-N 2 0 241.379 0.781 20 0 BCADRP CN(CC1C[NH+](C)C1)C(=O)C1(C[NH+](C)C)CC1 ZINC000636180619 346347799 /nfs/dbraw/zinc/34/77/99/346347799.db2.gz FEXDGSZLWPXQNF-UHFFFAOYSA-N 2 0 239.363 0.348 20 0 BCADRP CN(CC1C[NH+](C)C1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636181076 346348721 /nfs/dbraw/zinc/34/87/21/346348721.db2.gz UIPKIEBWFOWLEG-LLVKDONJSA-N 2 0 239.363 0.348 20 0 BCADRP C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C ZINC000636156676 346338859 /nfs/dbraw/zinc/33/88/59/346338859.db2.gz UYUTWYUQPXRERN-MNOVXSKESA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000636170555 346343191 /nfs/dbraw/zinc/34/31/91/346343191.db2.gz BLGRKXBWXLOGRZ-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@@H]2CCC[NH2+]C2)ccn1 ZINC000170043250 346408077 /nfs/dbraw/zinc/40/80/77/346408077.db2.gz OKAKJGLRWKAADE-SNVBAGLBSA-N 2 0 234.303 0.022 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@H](C)[NH3+] ZINC000574915514 346413112 /nfs/dbraw/zinc/41/31/12/346413112.db2.gz CQILPHQPWMDOCS-YFKTTZPYSA-N 2 0 239.363 0.284 20 0 BCADRP CCOC(C)(C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000159342593 346418028 /nfs/dbraw/zinc/41/80/28/346418028.db2.gz NPHNDFAFTMFHLP-GFCCVEGCSA-N 2 0 244.379 0.848 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000563414824 323123401 /nfs/dbraw/zinc/12/34/01/323123401.db2.gz BHLWLAVQHFLHJA-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)[NH2+]C ZINC000300369623 346433103 /nfs/dbraw/zinc/43/31/03/346433103.db2.gz ZELRULRALFHVTO-ZJUUUORDSA-N 2 0 215.341 0.441 20 0 BCADRP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000300396190 346434722 /nfs/dbraw/zinc/43/47/22/346434722.db2.gz BANGPYYPQDYHQL-UKKRHICBSA-N 2 0 232.393 0.958 20 0 BCADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000449474933 201934455 /nfs/dbraw/zinc/93/44/55/201934455.db2.gz DMVVTDUUODQNLP-TUAOUCFPSA-N 2 0 239.363 0.762 20 0 BCADRP CCCCNC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000070188130 349965768 /nfs/dbraw/zinc/96/57/68/349965768.db2.gz PNUUUORHWLWOIC-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP Cn1cncc1CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000641799182 362746320 /nfs/dbraw/zinc/74/63/20/362746320.db2.gz OAXHDVGBNBXDDX-BETUJISGSA-N 2 0 248.374 0.894 20 0 BCADRP Cn1cncc1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000641799499 362748052 /nfs/dbraw/zinc/74/80/52/362748052.db2.gz QBWQOFOYNNVLOU-AAEUAGOBSA-N 3 0 234.347 0.646 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCCC[NH2+]C(C)C ZINC000381631328 346487122 /nfs/dbraw/zinc/48/71/22/346487122.db2.gz QMWMMNIKZVVKMC-JTQLQIEISA-N 2 0 215.341 0.346 20 0 BCADRP Cn1cncc1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000641799500 362749197 /nfs/dbraw/zinc/74/91/97/362749197.db2.gz QBWQOFOYNNVLOU-DGCLKSJQSA-N 3 0 234.347 0.646 20 0 BCADRP Cn1cncc1CC[N@H+](C)C1CC[NH2+]CC1 ZINC000641797103 362741547 /nfs/dbraw/zinc/74/15/47/362741547.db2.gz UKTZHWJOANVWKM-UHFFFAOYSA-N 2 0 222.336 0.646 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236834166 535048116 /nfs/dbraw/zinc/04/81/16/535048116.db2.gz MDEWQBWIQWUSTB-ZJUUUORDSA-N 2 0 213.325 0.372 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@H]([NH2+]C3CC3)C2)C1 ZINC000580076201 346513551 /nfs/dbraw/zinc/51/35/51/346513551.db2.gz WZTPKXLDTLEJPO-NGZCFLSTSA-N 2 0 223.320 0.077 20 0 BCADRP C1C[NH2+][C@H]([C@H]2CCC[C@H]2N[C@H]2CC[NH2+]C2)C1 ZINC000580095865 346524386 /nfs/dbraw/zinc/52/43/86/346524386.db2.gz JZEJVQJIZCEFJS-QNWHQSFQSA-N 2 0 223.364 0.859 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000641801724 362756521 /nfs/dbraw/zinc/75/65/21/362756521.db2.gz UBCPUSCYFJOTHC-RYUDHWBXSA-N 2 0 242.363 0.897 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@H](C)CC[NH+](C)C ZINC000580052148 346496765 /nfs/dbraw/zinc/49/67/65/346496765.db2.gz JQXIJWXURWBXOJ-LLVKDONJSA-N 2 0 244.383 0.625 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NCC1CC[NH2+]CC1 ZINC000187169876 346559415 /nfs/dbraw/zinc/55/94/15/346559415.db2.gz ZVQXFMLVALHBQO-UHFFFAOYSA-N 2 0 234.303 0.393 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000381646841 346540311 /nfs/dbraw/zinc/54/03/11/346540311.db2.gz QQJJKGHPAKKALW-SECBINFHSA-N 2 0 213.325 0.087 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186868961 346541719 /nfs/dbraw/zinc/54/17/19/346541719.db2.gz KOGRTRQZDRGLRK-LPEHRKFASA-N 2 0 245.392 0.181 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CCC(C[NH3+])CC1 ZINC000577111880 365821415 /nfs/dbraw/zinc/82/14/15/365821415.db2.gz VGXDFJRVVXDCLN-UHFFFAOYSA-N 2 0 234.303 0.305 20 0 BCADRP C[NH+](C)CCN(CC[NH+](C)C)CC1CC1 ZINC000580129321 346544942 /nfs/dbraw/zinc/54/49/42/346544942.db2.gz VJLDABOGOOIVQC-UHFFFAOYSA-N 2 0 213.369 0.822 20 0 BCADRP COC[C@@H](C)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000187708724 346601356 /nfs/dbraw/zinc/60/13/56/346601356.db2.gz BXJDVLKBRQDONM-LBPRGKRZSA-N 2 0 244.379 0.705 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C[NH2+]C2CC2)C[N@@H+]1C1CC1 ZINC000580644717 365832389 /nfs/dbraw/zinc/83/23/89/365832389.db2.gz VNLPYMORJZUUQN-MWLCHTKSSA-N 2 0 237.347 0.480 20 0 BCADRP CC[C@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)[NH+](CC)CC ZINC000580201527 346658372 /nfs/dbraw/zinc/65/83/72/346658372.db2.gz RNGJJBOMJXRWFV-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000580212466 346686081 /nfs/dbraw/zinc/68/60/81/346686081.db2.gz MNWCSQGITQEYJX-VXGBXAGGSA-N 3 0 209.337 0.766 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CCC(C[NH2+]C)CC1 ZINC000577176304 365858936 /nfs/dbraw/zinc/85/89/36/365858936.db2.gz QORMNSQQCKXPAQ-CYBMUJFWSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000300421828 346745948 /nfs/dbraw/zinc/74/59/48/346745948.db2.gz PWXCQXJABPDHSB-TUAOUCFPSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000582057252 347152630 /nfs/dbraw/zinc/15/26/30/347152630.db2.gz ZNRUAZKXAMPKKS-FOGDFJRCSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]CCOCCN1CC2CCC1(C[NH3+])CC2 ZINC000580329366 347175894 /nfs/dbraw/zinc/17/58/94/347175894.db2.gz VLYFXNFIUXHJBK-UHFFFAOYSA-N 2 0 227.352 0.165 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](C)C(C)(C)C1 ZINC000310534191 347291185 /nfs/dbraw/zinc/29/11/85/347291185.db2.gz OVHXVHNEFPGVMQ-GFCCVEGCSA-N 2 0 243.395 0.325 20 0 BCADRP CC[C@@H](O)CN1CCC([N@H+](C)CCCO)CC1 ZINC000115739209 347254205 /nfs/dbraw/zinc/25/42/05/347254205.db2.gz DDHJVNVMDLZAAK-CYBMUJFWSA-N 2 0 244.379 0.536 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000165404873 133657794 /nfs/dbraw/zinc/65/77/94/133657794.db2.gz VHSXYEUCBVVDSP-GARJFASQSA-N 2 0 229.368 0.816 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C ZINC000571401968 323143619 /nfs/dbraw/zinc/14/36/19/323143619.db2.gz CMHDVRFFDQYHHM-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H](C)[NH3+] ZINC000019519783 347339171 /nfs/dbraw/zinc/33/91/71/347339171.db2.gz NEQZUXINMHLDOE-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP [NH3+]CCCC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000390453563 347357962 /nfs/dbraw/zinc/35/79/62/347357962.db2.gz BWUHVHBACXDBID-JTQLQIEISA-N 2 0 211.309 0.078 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000449493297 201942421 /nfs/dbraw/zinc/94/24/21/201942421.db2.gz LDEXJPKPBMREIT-YTWAJWBKSA-N 2 0 225.336 0.099 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000571432003 323144592 /nfs/dbraw/zinc/14/45/92/323144592.db2.gz AHHOAZOIXUCMHU-NXEZZACHSA-N 2 0 225.336 0.372 20 0 BCADRP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252750701 347371166 /nfs/dbraw/zinc/37/11/66/347371166.db2.gz BEEYTMJNBZCQHP-SDDRHHMPSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@@H](C(=O)NCC1([NH3+])CCC1)[NH+](C)C ZINC000390673398 347422101 /nfs/dbraw/zinc/42/21/01/347422101.db2.gz WEUUTPTVIBLJQL-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)[N@@H+](C)CCNC(=O)C[C@@H](C)[NH3+] ZINC000054133664 347469065 /nfs/dbraw/zinc/46/90/65/347469065.db2.gz SGCNLQMXSPSIFR-SECBINFHSA-N 2 0 201.314 0.180 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC(C)(C)CCC[NH3+] ZINC000382166846 347478842 /nfs/dbraw/zinc/47/88/42/347478842.db2.gz VDCSDKYOANXLLZ-VIFPVBQESA-N 2 0 215.341 0.476 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000577219961 365887937 /nfs/dbraw/zinc/88/79/37/365887937.db2.gz RSMYUWJQDJNKMN-MNOVXSKESA-N 2 0 239.363 0.476 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H](C)[NH2+]C1CC1 ZINC000382963404 347510208 /nfs/dbraw/zinc/51/02/08/347510208.db2.gz PIBOIJFUOWLPOI-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000571640979 323150536 /nfs/dbraw/zinc/15/05/36/323150536.db2.gz WDBDGXTUHXSZEF-ZYHUDNBSSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000252868306 347654348 /nfs/dbraw/zinc/65/43/48/347654348.db2.gz RLLUATQNBUQLQX-BJDJZHNGSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000591430094 347655298 /nfs/dbraw/zinc/65/52/98/347655298.db2.gz XTCXSEATEJXJQT-VHSXEESVSA-N 2 0 213.325 0.004 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000591418434 347657036 /nfs/dbraw/zinc/65/70/36/347657036.db2.gz BDTPHHBPNDLERD-NSHDSACASA-N 2 0 241.379 0.642 20 0 BCADRP COC[C@H](C)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000380121051 365901232 /nfs/dbraw/zinc/90/12/32/365901232.db2.gz UTMUIQCGQQHXQK-WOPDTQHZSA-N 2 0 212.337 0.810 20 0 BCADRP C[C@H](NCC(=O)N1CC[NH2+]CC1)c1ccoc1 ZINC000577274117 365911969 /nfs/dbraw/zinc/91/19/69/365911969.db2.gz DBJOGZNAIXCJLM-JTQLQIEISA-N 2 0 237.303 0.362 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[C@H](C)[NH3+] ZINC000252882378 347670371 /nfs/dbraw/zinc/67/03/71/347670371.db2.gz ZJTBOPNSRAYPRX-UTLUCORTSA-N 2 0 225.336 0.323 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000592336457 347768529 /nfs/dbraw/zinc/76/85/29/347768529.db2.gz AMNSGPKHYBJIMQ-VHSXEESVSA-N 2 0 247.408 0.701 20 0 BCADRP COC(=O)[C@@H](C)N1CC[C@](C)(C[NH3+])C1 ZINC000308519870 347774137 /nfs/dbraw/zinc/77/41/37/347774137.db2.gz XGSAMHFZQZMGRJ-PSASIEDQSA-N 2 0 200.282 0.219 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449518412 201948739 /nfs/dbraw/zinc/94/87/39/201948739.db2.gz JOJMOHRSJZHIRM-MXWKQRLJSA-N 2 0 227.352 0.618 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000577281218 365915765 /nfs/dbraw/zinc/91/57/65/365915765.db2.gz UOTHATPFDYZSJE-KWBADKCTSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@](C)(C[NH3+])C2CC2)CC[NH2+]1 ZINC000577281300 365916489 /nfs/dbraw/zinc/91/64/89/365916489.db2.gz ZVKIRYSTGUFENQ-OUJBWJOFSA-N 2 0 239.363 0.618 20 0 BCADRP C(SCC1CC[NH2+]CC1)C1C[NH2+]C1 ZINC000592175229 347758395 /nfs/dbraw/zinc/75/83/95/347758395.db2.gz CIFBBDAGQSCVSG-UHFFFAOYSA-N 2 0 200.351 0.939 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000577296437 365921905 /nfs/dbraw/zinc/92/19/05/365921905.db2.gz AZXUQHXUPPQPRI-MNOVXSKESA-N 2 0 240.351 0.119 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)CCC[NH2+]1 ZINC000343687687 133704062 /nfs/dbraw/zinc/70/40/62/133704062.db2.gz RZJLHORQNFJZQD-HOSYDEDBSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)N1CC(C)C1 ZINC000577386875 365941606 /nfs/dbraw/zinc/94/16/06/365941606.db2.gz VUKYAYHFGWIPMG-RYUDHWBXSA-N 2 0 239.363 0.395 20 0 BCADRP COC(=O)C1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000594581088 348076426 /nfs/dbraw/zinc/07/64/26/348076426.db2.gz MUZSYEACLYLUIH-NXEZZACHSA-N 2 0 226.320 0.799 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000294789462 179342663 /nfs/dbraw/zinc/34/26/63/179342663.db2.gz OHVHFDHKIXMFKD-PWSUYJOCSA-N 2 0 233.315 0.554 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000295087072 179343059 /nfs/dbraw/zinc/34/30/59/179343059.db2.gz IXUCHUUYLBMRME-AAEUAGOBSA-N 2 0 247.342 0.863 20 0 BCADRP CC1(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000594739273 348110493 /nfs/dbraw/zinc/11/04/93/348110493.db2.gz RTSVUFXSEBIEIC-UWVGGRQHSA-N 2 0 223.320 0.030 20 0 BCADRP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000594920699 348155181 /nfs/dbraw/zinc/15/51/81/348155181.db2.gz HHGBHLGVLBTNMV-OUAUKWLOSA-N 2 0 228.336 0.725 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)C[C@H]1CCC[NH2+]1 ZINC000563810193 323178418 /nfs/dbraw/zinc/17/84/18/323178418.db2.gz JJKFNICNOFGCPQ-WDEREUQCSA-N 2 0 227.352 0.762 20 0 BCADRP COC[C@](C)(O)C[NH2+]C1CCN(C)CC1 ZINC000308845743 323179759 /nfs/dbraw/zinc/17/97/59/323179759.db2.gz ACGKIWMBIJKPBG-LLVKDONJSA-N 2 0 216.325 0.068 20 0 BCADRP CC(C)(C[NH3+])c1nc(C2([NH3+])CCC2)no1 ZINC000261567482 535073473 /nfs/dbraw/zinc/07/34/73/535073473.db2.gz DYDZBEPCAYYNPS-UHFFFAOYSA-N 2 0 210.281 0.644 20 0 BCADRP O[C@@H](C[NH2+]CC1=CCOCC1)C[NH+]1CCCC1 ZINC000397644712 362898049 /nfs/dbraw/zinc/89/80/49/362898049.db2.gz CIEPFSKWAAUDJP-ZDUSSCGKSA-N 2 0 240.347 0.379 20 0 BCADRP C[C@@H](CCO)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000397791883 362913106 /nfs/dbraw/zinc/91/31/06/362913106.db2.gz SRDIIACUJRECFH-CHWSQXEVSA-N 2 0 244.379 0.441 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N(C)CC(C)(C)[NH3+] ZINC000595934550 348393556 /nfs/dbraw/zinc/39/35/56/348393556.db2.gz OHNYDKPMKHAULV-QMMMGPOBSA-N 2 0 233.381 0.263 20 0 BCADRP CC(C)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595903547 348395079 /nfs/dbraw/zinc/39/50/79/348395079.db2.gz XYCZOJFDQANUNB-GARJFASQSA-N 2 0 225.336 0.275 20 0 BCADRP CC(C)=CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595902649 348395472 /nfs/dbraw/zinc/39/54/72/348395472.db2.gz CPAVXWTYRSRMGJ-NEPJUHHUSA-N 2 0 237.347 0.587 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000070318090 323186520 /nfs/dbraw/zinc/18/65/20/323186520.db2.gz OLNPJNCRIZTQQD-NWDGAFQWSA-N 2 0 239.363 0.811 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)CC[C@@H](C)[NH3+])C1 ZINC000070317320 349993548 /nfs/dbraw/zinc/99/35/48/349993548.db2.gz REWUSLOFFSBSFZ-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH+]1CCC(CNC(=O)CC[C@H](C)[NH3+])CC1 ZINC000070317847 349993668 /nfs/dbraw/zinc/99/36/68/349993668.db2.gz QZFQTNTVSZRGME-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000333643045 538008213 /nfs/dbraw/zinc/00/82/13/538008213.db2.gz IPJGTAAKMIFMEB-GARJFASQSA-N 2 0 240.351 0.130 20 0 BCADRP CC[N@H+](C)CCNC(=O)CC[NH2+]C(C)C ZINC000054133337 348892588 /nfs/dbraw/zinc/89/25/88/348892588.db2.gz VYMRXFRUDAAORK-UHFFFAOYSA-N 2 0 215.341 0.442 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000054075528 348877611 /nfs/dbraw/zinc/87/76/11/348877611.db2.gz QKUSVPAYMOYZEB-NSHDSACASA-N 2 0 229.368 0.641 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@H](C)[NH2+]C)CC1 ZINC000054075698 348878007 /nfs/dbraw/zinc/87/80/07/348878007.db2.gz GFICQDRVHIDPGC-VIFPVBQESA-N 2 0 213.325 0.195 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000449574114 201973881 /nfs/dbraw/zinc/97/38/81/201973881.db2.gz VIUGNZYRAQEPIA-NQBHXWOUSA-N 2 0 239.363 0.620 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000599297161 349150566 /nfs/dbraw/zinc/15/05/66/349150566.db2.gz OSOHEYZPBNUFHV-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000078755349 490228171 /nfs/dbraw/zinc/22/81/71/490228171.db2.gz DOKMKFMCWCXHLV-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[NH2+]C)C1 ZINC000250340516 349169661 /nfs/dbraw/zinc/16/96/61/349169661.db2.gz PRYYJHYAMLSLIS-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP CN1CCN(C)[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000250400877 349171053 /nfs/dbraw/zinc/17/10/53/349171053.db2.gz SKLUKIFSVJSGGH-JHJVBQTASA-N 2 0 240.395 0.092 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000252616024 349207845 /nfs/dbraw/zinc/20/78/45/349207845.db2.gz ZMTSMNAXMBASTK-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP CC(C)[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000253008803 349226098 /nfs/dbraw/zinc/22/60/98/349226098.db2.gz AEJGRXDNDKEYAB-GARJFASQSA-N 2 0 200.326 0.863 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCCC1 ZINC000252479096 349203531 /nfs/dbraw/zinc/20/35/31/349203531.db2.gz HHHXWCPKIHXIST-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000567831500 349307040 /nfs/dbraw/zinc/30/70/40/349307040.db2.gz CDDOWXCQNWRSGD-NHCYSSNCSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422540179 192424738 /nfs/dbraw/zinc/42/47/38/192424738.db2.gz LMZUGQWLOGDXBL-VLEAKVRGSA-N 2 0 227.352 0.413 20 0 BCADRP [NH3+]CCCNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061612673 349376322 /nfs/dbraw/zinc/37/63/22/349376322.db2.gz TYKCCZBZSYSISV-LLVKDONJSA-N 2 0 221.304 0.194 20 0 BCADRP [NH3+]CCCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070502896 350016246 /nfs/dbraw/zinc/01/62/46/350016246.db2.gz IGPOHJPQEFNWFZ-VHSXEESVSA-N 2 0 213.325 0.359 20 0 BCADRP N#Cc1cccc(C[NH+]2CCC(O)(C[NH3+])CC2)c1 ZINC000397008501 350042246 /nfs/dbraw/zinc/04/22/46/350042246.db2.gz CYUMLYCFOLAYNT-UHFFFAOYSA-N 2 0 245.326 0.844 20 0 BCADRP CC[C@H]1C[N@H+](CCC(=O)N(C)C)CC[C@H]1[NH3+] ZINC000251723020 538052100 /nfs/dbraw/zinc/05/21/00/538052100.db2.gz KBVOTZRKVWBDBI-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP CCOCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000132421112 191032323 /nfs/dbraw/zinc/03/23/23/191032323.db2.gz ZSFLLMWVKGXAGJ-QWRGUYRKSA-N 2 0 200.326 0.953 20 0 BCADRP [NH3+]CC1(CC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000422713529 192439525 /nfs/dbraw/zinc/43/95/25/192439525.db2.gz PWVPCSKXGQVINZ-UHFFFAOYSA-N 2 0 239.363 0.893 20 0 BCADRP NC(=O)C1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCCC1 ZINC000422740215 192449107 /nfs/dbraw/zinc/44/91/07/192449107.db2.gz BCFQGCDJZBLEHL-MNOVXSKESA-N 2 0 239.363 0.749 20 0 BCADRP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH2+]C1)C(C)C ZINC000427305234 191058046 /nfs/dbraw/zinc/05/80/46/191058046.db2.gz RMYLVOTYJFWMSJ-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000236648025 191059881 /nfs/dbraw/zinc/05/98/81/191059881.db2.gz FNKZGGQGDWXPEG-NSHDSACASA-N 2 0 227.352 0.666 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CC[NH2+]C1 ZINC000236592464 191059942 /nfs/dbraw/zinc/05/99/42/191059942.db2.gz PPSRTCJDBLZVAC-VHSXEESVSA-N 2 0 213.325 0.086 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427368997 191060211 /nfs/dbraw/zinc/06/02/11/191060211.db2.gz ZLTGCMVFHVAWDM-NWDGAFQWSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000236716445 191060580 /nfs/dbraw/zinc/06/05/80/191060580.db2.gz FZKVEFNSERDCMN-AXFHLTTASA-N 2 0 227.352 0.556 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H]1CC[NH2+]C1 ZINC000236682992 191060978 /nfs/dbraw/zinc/06/09/78/191060978.db2.gz PVHVJSAQUQNZMD-PWSUYJOCSA-N 2 0 227.352 0.476 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000309209842 350191578 /nfs/dbraw/zinc/19/15/78/350191578.db2.gz DFCNWVWORTVYDM-QJPTWQEYSA-N 2 0 230.352 0.314 20 0 BCADRP C[C@H]([NH3+])CNC(=O)NCC1([NH3+])CCCCC1 ZINC000637117097 350204745 /nfs/dbraw/zinc/20/47/45/350204745.db2.gz AWGSHMBQILDQIJ-VIFPVBQESA-N 2 0 228.340 0.294 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000427604380 191083675 /nfs/dbraw/zinc/08/36/75/191083675.db2.gz PBJYPOAVNGOWLW-VWYCJHECSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[NH+](C)C ZINC000427565299 191082259 /nfs/dbraw/zinc/08/22/59/191082259.db2.gz NDTDFJYDKSSMBD-TUAOUCFPSA-N 2 0 241.379 0.687 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000427592102 191083075 /nfs/dbraw/zinc/08/30/75/191083075.db2.gz OEWGEERCHIWCRA-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000309258579 350242716 /nfs/dbraw/zinc/24/27/16/350242716.db2.gz HEJFREQJIHBRDP-BBBLOLIVSA-N 2 0 213.325 0.165 20 0 BCADRP CC[C@@H](C(=O)N[C@H]1CC[NH2+]C1)[NH+](CC)CC ZINC000428207150 191091913 /nfs/dbraw/zinc/09/19/13/191091913.db2.gz UTVUPKFVPSRNTB-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP CC[NH+]1CCC(NCc2cn[nH]c2)CC1 ZINC000038005630 350296272 /nfs/dbraw/zinc/29/62/72/350296272.db2.gz FIEYZMCMTCNMLL-UHFFFAOYSA-N 2 0 208.309 0.984 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000606371229 350318804 /nfs/dbraw/zinc/31/88/04/350318804.db2.gz BPRRITVDAPBXDN-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000309340067 350322876 /nfs/dbraw/zinc/32/28/76/350322876.db2.gz KWGDNPRBZNAXKU-NSHDSACASA-N 2 0 213.325 0.169 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCCC[NH+]1CCCCC1 ZINC000050460719 350342976 /nfs/dbraw/zinc/34/29/76/350342976.db2.gz ONCCJAWKWJGBSJ-WDEREUQCSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)CC[C@H](C)[NH3+])C1 ZINC000309393041 350369282 /nfs/dbraw/zinc/36/92/82/350369282.db2.gz GEWWQFKXAMPQAV-AEJSXWLSSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000309393044 350367611 /nfs/dbraw/zinc/36/76/11/350367611.db2.gz GEWWQFKXAMPQAV-GUBZILKMSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@H](CO)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000120591519 490468265 /nfs/dbraw/zinc/46/82/65/490468265.db2.gz NGFAQHLDOPEXTM-ZDUSSCGKSA-N 2 0 243.395 0.184 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)C[NH2+]C1CC1 ZINC000309366404 350354114 /nfs/dbraw/zinc/35/41/14/350354114.db2.gz BHUPTVIRUKNNGE-SECBINFHSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@]1(C(=O)NCC2([NH3+])CCC2)CCC[NH2+]1 ZINC000309404571 350371538 /nfs/dbraw/zinc/37/15/38/350371538.db2.gz HUJHAYJAJBKSJB-SNVBAGLBSA-N 2 0 211.309 0.126 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000040673701 350393855 /nfs/dbraw/zinc/39/38/55/350393855.db2.gz MBMQXMKFMLPORV-UWVGGRQHSA-N 2 0 245.392 0.277 20 0 BCADRP CCN(C)C[C@@H](O)C[NH2+][C@H]1CCOC1(C)C ZINC000328406412 350399899 /nfs/dbraw/zinc/39/98/99/350399899.db2.gz TUUZGRWQOKKHET-QWRGUYRKSA-N 2 0 230.352 0.456 20 0 BCADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)C1(C)C[NH2+]C1 ZINC000399490443 323335934 /nfs/dbraw/zinc/33/59/34/323335934.db2.gz SXZVASLZTRDVRJ-LLVKDONJSA-N 2 0 241.379 0.688 20 0 BCADRP COCC[C@H](COC)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000309346269 323344855 /nfs/dbraw/zinc/34/48/55/323344855.db2.gz MGWHAXDDANLPHV-QJPTWQEYSA-N 2 0 230.352 0.897 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NCC[NH2+]C1CC1 ZINC000637340069 350465685 /nfs/dbraw/zinc/46/56/85/350465685.db2.gz OVUPDGABUILZQG-JTQLQIEISA-N 2 0 228.340 0.021 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCC[NH2+]C1CC1 ZINC000637339554 350465711 /nfs/dbraw/zinc/46/57/11/350465711.db2.gz JMKKFIQEVWJAJJ-VHSXEESVSA-N 2 0 240.351 0.130 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCC[NH2+]C2CC2)C1 ZINC000637339584 350465887 /nfs/dbraw/zinc/46/58/87/350465887.db2.gz KCDSLMNUHLRGBG-MWLCHTKSSA-N 2 0 240.351 0.308 20 0 BCADRP CO[C@@H](C[NH3+])C(=O)NCC[NH+](C(C)C)C(C)C ZINC000227342157 350493105 /nfs/dbraw/zinc/49/31/05/350493105.db2.gz BMIURSXBTCFJLF-NSHDSACASA-N 2 0 245.367 0.195 20 0 BCADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@](C)(O)C[NH+](C)C)C1 ZINC000300525716 490563971 /nfs/dbraw/zinc/56/39/71/490563971.db2.gz ZCQPNAZLEGPZAZ-XQQFMLRXSA-N 2 0 244.379 0.846 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH2+]C1CC1 ZINC000577495559 365969496 /nfs/dbraw/zinc/96/94/96/365969496.db2.gz ZTDCDNLQSPRIGA-NWDGAFQWSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+]CCC(=O)N[C@H](C)CCCC[NH3+] ZINC000380148764 350565648 /nfs/dbraw/zinc/56/56/48/350565648.db2.gz ADRMZPPVZGJUPK-SECBINFHSA-N 2 0 201.314 0.230 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCN2CCSCC2)C1 ZINC000230931754 350609726 /nfs/dbraw/zinc/60/97/26/350609726.db2.gz GSFYNXLOQXYGMN-VXGBXAGGSA-N 2 0 243.420 0.895 20 0 BCADRP OCC[C@H]1CSCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000393776559 490689541 /nfs/dbraw/zinc/68/95/41/490689541.db2.gz YGMGWICYUNKRQU-QWRGUYRKSA-N 2 0 230.377 0.396 20 0 BCADRP C[NH2+]CCC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000309526203 350703568 /nfs/dbraw/zinc/70/35/68/350703568.db2.gz AWRLWBXYSZCAQB-SNVBAGLBSA-N 2 0 213.325 0.102 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC(C[NH3+])CC1 ZINC000309506567 350678805 /nfs/dbraw/zinc/67/88/05/350678805.db2.gz VZRYRRAKHWNEPW-IUCAKERBSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NC1(C[NH3+])CCCC1 ZINC000309505144 350679772 /nfs/dbraw/zinc/67/97/72/350679772.db2.gz VSSYFGNEMAJPSC-RKDXNWHRSA-N 2 0 213.325 0.357 20 0 BCADRP CC[NH2+]CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000309508351 350679972 /nfs/dbraw/zinc/67/99/72/350679972.db2.gz ODUCPXOFNHMIJG-JTQLQIEISA-N 2 0 213.325 0.102 20 0 BCADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000346608333 365990348 /nfs/dbraw/zinc/99/03/48/365990348.db2.gz PKCKBXKGXMWLQS-NEPJUHHUSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000309513124 350693925 /nfs/dbraw/zinc/69/39/25/350693925.db2.gz XXSSUKJKBUPNAS-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000309519557 350695245 /nfs/dbraw/zinc/69/52/45/350695245.db2.gz BAMPCLBAGXYTNR-GUBZILKMSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000237472497 350750439 /nfs/dbraw/zinc/75/04/39/350750439.db2.gz COHZOHIZHCXMBH-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP COC[C@@H](C)C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000571055311 350726310 /nfs/dbraw/zinc/72/63/10/350726310.db2.gz STVUEFWDUWBGOS-WDEREUQCSA-N 2 0 200.326 0.858 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC1(C)C ZINC000623559618 362982024 /nfs/dbraw/zinc/98/20/24/362982024.db2.gz ICWCUAFMMUZGLR-GARJFASQSA-N 2 0 239.363 0.713 20 0 BCADRP COCc1noc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000581726723 350768611 /nfs/dbraw/zinc/76/86/11/350768611.db2.gz BHRLOVGWJGVXNS-RKDXNWHRSA-N 2 0 240.307 0.385 20 0 BCADRP C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)O1 ZINC000398024143 362986964 /nfs/dbraw/zinc/98/69/64/362986964.db2.gz GDYZERJSKBFWRI-FRRDWIJNSA-N 2 0 242.363 0.600 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000571402551 350974513 /nfs/dbraw/zinc/97/45/13/350974513.db2.gz RFRSUKMKCCNZCR-SDDRHHMPSA-N 2 0 239.363 0.809 20 0 BCADRP CNC(=O)CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000398309994 351024081 /nfs/dbraw/zinc/02/40/81/351024081.db2.gz XHDGAHLFBDFAAK-ZJUUUORDSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@]1(C(=O)NCC[NH+]2CCCCC2)CCC[NH2+]1 ZINC000079520455 351071228 /nfs/dbraw/zinc/07/12/28/351071228.db2.gz PHNLMQWOKXRYQK-ZDUSSCGKSA-N 2 0 239.363 0.731 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000137277778 351381382 /nfs/dbraw/zinc/38/13/82/351381382.db2.gz XMCIZIIUIIHYFE-MNOVXSKESA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000088050924 351539201 /nfs/dbraw/zinc/53/92/01/351539201.db2.gz DTDHXXZUYWNARD-VIFPVBQESA-N 2 0 223.320 0.221 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC000637802718 351634397 /nfs/dbraw/zinc/63/43/97/351634397.db2.gz TUOKLTARTRTAPZ-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H](NC(=O)CCC1C[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000637820868 351661440 /nfs/dbraw/zinc/66/14/40/351661440.db2.gz QJINLMVSMMSFJS-ZYHUDNBSSA-N 2 0 239.363 0.490 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N2CC[NH2+]CC2)CC[N@@H+]1C ZINC000637800713 351636206 /nfs/dbraw/zinc/63/62/06/351636206.db2.gz HFADTIHPOWDOMN-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000637800745 351636969 /nfs/dbraw/zinc/63/69/69/351636969.db2.gz CTEWRFISRQHSQR-LLVKDONJSA-N 2 0 237.347 0.422 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+](C)C ZINC000637804776 351637855 /nfs/dbraw/zinc/63/78/55/351637855.db2.gz BBRKQSXHSYEQAX-MXWKQRLJSA-N 2 0 227.352 0.665 20 0 BCADRP [NH3+]CC1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000637803268 351638728 /nfs/dbraw/zinc/63/87/28/351638728.db2.gz BVCHQNIEUYABSA-NSHDSACASA-N 2 0 223.320 0.231 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH3+])CC[N@@H+]1C ZINC000637803060 351638828 /nfs/dbraw/zinc/63/88/28/351638828.db2.gz WMVHSDHMMZPYIZ-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000637821095 351661664 /nfs/dbraw/zinc/66/16/64/351661664.db2.gz SGBBNZLGPLTGLP-MVWJERBFSA-N 2 0 237.347 0.538 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000637807639 351644685 /nfs/dbraw/zinc/64/46/85/351644685.db2.gz KOIMQAYTPKPPIQ-HBNTYKKESA-N 2 0 227.352 0.713 20 0 BCADRP CC[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC000637808769 351645571 /nfs/dbraw/zinc/64/55/71/351645571.db2.gz FGKNLTYUAVFLMZ-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000637809713 351646034 /nfs/dbraw/zinc/64/60/34/351646034.db2.gz XECLARDQYGKPNK-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP CC[NH2+]CCCNC(=O)CCC1C[NH2+]C1 ZINC000637809704 351646276 /nfs/dbraw/zinc/64/62/76/351646276.db2.gz WLHXNEBWMBCFRH-UHFFFAOYSA-N 2 0 213.325 0.102 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000637812080 351647519 /nfs/dbraw/zinc/64/75/19/351647519.db2.gz PHPCFYVRQGJGFH-QMMMGPOBSA-N 2 0 223.276 0.138 20 0 BCADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH2+]CC1 ZINC000637810973 351652335 /nfs/dbraw/zinc/65/23/35/351652335.db2.gz MEWOOCGUFGQPSR-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637816153 351655986 /nfs/dbraw/zinc/65/59/86/351655986.db2.gz LEZLLCIDKVDKBQ-NXEZZACHSA-N 2 0 213.325 0.243 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)CCC1C[NH2+]C1 ZINC000637816438 351656227 /nfs/dbraw/zinc/65/62/27/351656227.db2.gz HSROHMRXXVGUGD-LLVKDONJSA-N 2 0 225.336 0.326 20 0 BCADRP CC[C@H](C(=O)N1CC[NH2+]C[C@H]1C)[NH+](C)C ZINC000637817746 351662488 /nfs/dbraw/zinc/66/24/88/351662488.db2.gz BSCWUPONFQOUHX-NXEZZACHSA-N 2 0 213.325 0.147 20 0 BCADRP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000637816534 351657149 /nfs/dbraw/zinc/65/71/49/351657149.db2.gz IVFNZHBVHUPCBY-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000637814238 351658505 /nfs/dbraw/zinc/65/85/05/351658505.db2.gz JURXRYQRVOQZTC-GXSJLCMTSA-N 2 0 223.320 0.150 20 0 BCADRP C[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000637819703 351660117 /nfs/dbraw/zinc/66/01/17/351660117.db2.gz KPCSAAQVPYWGFM-HBNTYKKESA-N 2 0 227.352 0.441 20 0 BCADRP [NH3+]CCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000637796979 351623745 /nfs/dbraw/zinc/62/37/45/351623745.db2.gz FVDZKIPLKWPCBY-ZDUSSCGKSA-N 2 0 247.342 0.583 20 0 BCADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH3+])C1)CC(C)(C)C ZINC000637797116 351624141 /nfs/dbraw/zinc/62/41/41/351624141.db2.gz JUROTPGFVZDDED-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000637798746 351627033 /nfs/dbraw/zinc/62/70/33/351627033.db2.gz IEBDOQUUUAQONM-ZYHUDNBSSA-N 2 0 237.347 0.492 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH2+]CC2)C1 ZINC000637798716 351627182 /nfs/dbraw/zinc/62/71/82/351627182.db2.gz PMYKMXZSNSIQGH-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000637798744 351627454 /nfs/dbraw/zinc/62/74/54/351627454.db2.gz IEBDOQUUUAQONM-JQWIXIFHSA-N 2 0 237.347 0.492 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000637798708 351627563 /nfs/dbraw/zinc/62/75/63/351627563.db2.gz PIAFUHQGIGTYMG-NSHDSACASA-N 2 0 225.336 0.339 20 0 BCADRP C[N@H+](CC(=O)N1CCC([NH3+])CC1)CC(C)(C)C ZINC000637797428 351629901 /nfs/dbraw/zinc/62/99/01/351629901.db2.gz BBWOIFOEGCFLLR-UHFFFAOYSA-N 2 0 241.379 0.914 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000637801408 351631893 /nfs/dbraw/zinc/63/18/93/351631893.db2.gz JWEFAZPZMAACBI-QWRGUYRKSA-N 2 0 225.336 0.291 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000637829853 351678795 /nfs/dbraw/zinc/67/87/95/351678795.db2.gz QDRLIMJQQPMPLW-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000637835286 351686301 /nfs/dbraw/zinc/68/63/01/351686301.db2.gz GFWRTJXSKUKRBH-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000637836144 351687511 /nfs/dbraw/zinc/68/75/11/351687511.db2.gz SNZHTIPVEMPQMC-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000637834601 351688961 /nfs/dbraw/zinc/68/89/61/351688961.db2.gz YICNFYWZAJZFGV-ZJUUUORDSA-N 2 0 213.325 0.100 20 0 BCADRP CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000637837672 351692187 /nfs/dbraw/zinc/69/21/87/351692187.db2.gz KOGISZQQLDCYDP-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000637849106 351706974 /nfs/dbraw/zinc/70/69/74/351706974.db2.gz WKAOSFDMCJXEEA-HBNTYKKESA-N 2 0 227.352 0.570 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000637838477 351693814 /nfs/dbraw/zinc/69/38/14/351693814.db2.gz YAAKJWXRXVKGKF-VIFPVBQESA-N 2 0 237.303 0.481 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000637838796 351694067 /nfs/dbraw/zinc/69/40/67/351694067.db2.gz CGAYZHVROINPLE-AEJSXWLSSA-N 2 0 213.325 0.193 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@](C)(C[NH3+])C2CC2)C1 ZINC000637840307 351695652 /nfs/dbraw/zinc/69/56/52/351695652.db2.gz GKEFTXYDOLHUFW-GXFFZTMASA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000637840968 351696861 /nfs/dbraw/zinc/69/68/61/351696861.db2.gz JKQVFBULARRMOW-MWLCHTKSSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)C1=CC[C@@H]([NH3+])C1)C1CC1 ZINC000637841920 351697979 /nfs/dbraw/zinc/69/79/79/351697979.db2.gz MUVREKQVKKOZOJ-PWSUYJOCSA-N 2 0 223.320 0.278 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC1(C[NH3+])CCCC1 ZINC000637842069 351698300 /nfs/dbraw/zinc/69/83/00/351698300.db2.gz XHQBBGHTTFMZJT-VIFPVBQESA-N 2 0 213.325 0.372 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000637842140 351699137 /nfs/dbraw/zinc/69/91/37/351699137.db2.gz YFOHWFMCCHFKHO-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000637844840 351700489 /nfs/dbraw/zinc/70/04/89/351700489.db2.gz LLZVBUBOFOXTNI-IVZWLZJFSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000637845246 351700733 /nfs/dbraw/zinc/70/07/33/351700733.db2.gz AJEDMYYOKZYEPU-GMTAPVOTSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H](C(=O)N[C@](C)(C[NH3+])C1CC1)[NH+](C)C ZINC000637843197 351701762 /nfs/dbraw/zinc/70/17/62/351701762.db2.gz USUDUPUCJMXAEN-LDYMZIIASA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]1CCCN(C(=O)CCC2C[NH2+]C2)[C@H]1C[NH3+] ZINC000637847693 351703950 /nfs/dbraw/zinc/70/39/50/351703950.db2.gz OPQFPEGJBQIIRN-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C)CC[N@@H+]1C ZINC000637825108 351665005 /nfs/dbraw/zinc/66/50/05/351665005.db2.gz VNUHNAHLDFZTHU-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)CCC2C[NH2+]C2)C1 ZINC000637824931 351665389 /nfs/dbraw/zinc/66/53/89/351665389.db2.gz PYPFIHZZVKZJLL-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP COc1cccc([C@@H]([NH3+])C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000637821556 351665972 /nfs/dbraw/zinc/66/59/72/351665972.db2.gz UBJASDVWIODPJE-CMPLNLGQSA-N 2 0 249.314 0.255 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000637825341 351666061 /nfs/dbraw/zinc/66/60/61/351666061.db2.gz VCINUKGHCANGBA-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000637825348 351666127 /nfs/dbraw/zinc/66/61/27/351666127.db2.gz VCINUKGHCANGBA-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[N@H+](CC(=O)N1CC[C@H](C[NH3+])C1)CC(C)(C)C ZINC000637822330 351666688 /nfs/dbraw/zinc/66/66/88/351666688.db2.gz JUOJPRLKISPTAN-LLVKDONJSA-N 2 0 241.379 0.772 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)NCC[C@H](C)[NH3+] ZINC000637822818 351667094 /nfs/dbraw/zinc/66/70/94/351667094.db2.gz BKBFUXHRKYNPOD-QMMMGPOBSA-N 2 0 225.292 0.514 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000637822652 351667522 /nfs/dbraw/zinc/66/75/22/351667522.db2.gz MXUHVPUDKJTSSN-WDEREUQCSA-N 2 0 223.320 0.244 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]C2CC2)C1 ZINC000637827439 351669604 /nfs/dbraw/zinc/66/96/04/351669604.db2.gz HGIPTFSYWXLUSZ-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000637827507 351669694 /nfs/dbraw/zinc/66/96/94/351669694.db2.gz SBAYANUONUCDMW-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000637827358 351675904 /nfs/dbraw/zinc/67/59/04/351675904.db2.gz QCYRMNXYNMEDEM-VIFPVBQESA-N 2 0 237.303 0.529 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CCC1C[NH2+]C1 ZINC000637853912 351716243 /nfs/dbraw/zinc/71/62/43/351716243.db2.gz SXAJZPDUGQMTKL-NWDGAFQWSA-N 2 0 239.363 0.620 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[NH2+]CC1(C)C ZINC000637857597 351718150 /nfs/dbraw/zinc/71/81/50/351718150.db2.gz RIZUAZURFQASIW-VIFPVBQESA-N 2 0 213.325 0.195 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000637859712 351721111 /nfs/dbraw/zinc/72/11/11/351721111.db2.gz NQHLRHPPXODYID-TUAOUCFPSA-N 2 0 235.331 0.387 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]([NH3+])CCC(C)C ZINC000637861300 351722155 /nfs/dbraw/zinc/72/21/55/351722155.db2.gz FBZPXJLQSCRBQA-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]([NH3+])CCC(C)C ZINC000637861302 351722281 /nfs/dbraw/zinc/72/22/81/351722281.db2.gz FBZPXJLQSCRBQA-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637861975 351722831 /nfs/dbraw/zinc/72/28/31/351722831.db2.gz KZYZJSHIPPETBN-MNOVXSKESA-N 2 0 223.320 0.244 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637850814 351708387 /nfs/dbraw/zinc/70/83/87/351708387.db2.gz WNXDIOMCJNOJMA-DGCLKSJQSA-N 2 0 239.363 0.914 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000637853516 351708917 /nfs/dbraw/zinc/70/89/17/351708917.db2.gz VLDUDWMWQLWZSG-KOLCDFICSA-N 2 0 215.341 0.474 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000637853520 351709057 /nfs/dbraw/zinc/70/90/57/351709057.db2.gz VLDUDWMWQLWZSG-ONGXEEELSA-N 2 0 215.341 0.474 20 0 BCADRP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C[NH3+])[NH+](C)C ZINC000637852145 351711395 /nfs/dbraw/zinc/71/13/95/351711395.db2.gz CSEPHAPVRWZUGK-VWYCJHECSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[NH+](C)C ZINC000637852144 351711414 /nfs/dbraw/zinc/71/14/14/351711414.db2.gz CSEPHAPVRWZUGK-OUAUKWLOSA-N 2 0 227.352 0.570 20 0 BCADRP Cc1nc[nH]c1CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000637852593 351711485 /nfs/dbraw/zinc/71/14/85/351711485.db2.gz OEHKWGLWNRHTGE-GFCCVEGCSA-N 2 0 238.335 0.750 20 0 BCADRP C[C@H](C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])[NH+](C)C ZINC000637852143 351711504 /nfs/dbraw/zinc/71/15/04/351711504.db2.gz CSEPHAPVRWZUGK-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000637855055 351714741 /nfs/dbraw/zinc/71/47/41/351714741.db2.gz JDUZDBKWAHOJRV-SNVBAGLBSA-N 2 0 225.336 0.182 20 0 BCADRP CO[C@]1(C[NH+]2CCC([NH+](C)C)CC2)CCOC1 ZINC000637928009 351803351 /nfs/dbraw/zinc/80/33/51/351803351.db2.gz SBECTMXDIVRIAM-ZDUSSCGKSA-N 2 0 242.363 0.818 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)N(CC)CC[NH3+] ZINC000626991162 363096572 /nfs/dbraw/zinc/09/65/72/363096572.db2.gz CAQJTBVJGGVWLW-UHFFFAOYSA-N 2 0 244.383 0.709 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000638076121 351949000 /nfs/dbraw/zinc/94/90/00/351949000.db2.gz JAKRAIXKESRTOM-ONGXEEELSA-N 2 0 227.352 0.441 20 0 BCADRP CCCN(C(=O)[C@H](C)[NH2+]CC)C1CC[NH2+]CC1 ZINC000638046366 351925616 /nfs/dbraw/zinc/92/56/16/351925616.db2.gz HDPLFDQCKFNXDK-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638049844 351927587 /nfs/dbraw/zinc/92/75/87/351927587.db2.gz OZHWCLXCMMLBGU-VXGBXAGGSA-N 2 0 237.347 0.634 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCCC[NH+](C)C ZINC000638049217 351927622 /nfs/dbraw/zinc/92/76/22/351927622.db2.gz XASUSVCFRBJLLS-SECBINFHSA-N 2 0 201.314 0.052 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@@H](C)[NH2+]CC)CC1 ZINC000638054805 351930341 /nfs/dbraw/zinc/93/03/41/351930341.db2.gz FRDOIOFMWVGJED-LLVKDONJSA-N 2 0 241.379 0.975 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC000638053175 351931169 /nfs/dbraw/zinc/93/11/69/351931169.db2.gz GPUFHWPZMSZPHE-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)NCC[NH+]2CCCCC2)C1 ZINC000638055966 351931957 /nfs/dbraw/zinc/93/19/57/351931957.db2.gz VHIQUGIZDDQNTQ-LBPRGKRZSA-N 2 0 237.347 0.636 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000638056942 351932850 /nfs/dbraw/zinc/93/28/50/351932850.db2.gz SEZXIWVWKALMEE-NSHDSACASA-N 2 0 249.358 0.777 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCCCC[NH+](C)C ZINC000638068788 351940393 /nfs/dbraw/zinc/94/03/93/351940393.db2.gz ZLUSFYNCVCJKRK-SNVBAGLBSA-N 2 0 215.341 0.442 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)CCC2C[NH2+]C2)C1 ZINC000638072583 351942686 /nfs/dbraw/zinc/94/26/86/351942686.db2.gz OWCMZFUGVGOSHG-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000638071652 351943598 /nfs/dbraw/zinc/94/35/98/351943598.db2.gz HAVPFXRCZISNTB-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000638071505 351943826 /nfs/dbraw/zinc/94/38/26/351943826.db2.gz FXDNITDMKBGWHW-JHJVBQTASA-N 2 0 249.358 0.777 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000638072750 351945229 /nfs/dbraw/zinc/94/52/29/351945229.db2.gz VIXXCRSHQTXGRM-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000638075242 351946836 /nfs/dbraw/zinc/94/68/36/351946836.db2.gz DAMYKDZEXGMUMD-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000368124986 187559090 /nfs/dbraw/zinc/55/90/90/187559090.db2.gz JNVDADZISCSPGR-AXFHLTTASA-N 2 0 225.336 0.180 20 0 BCADRP CCC[NH2+]CCNC(=O)CCC1C[NH2+]C1 ZINC000638145002 352007152 /nfs/dbraw/zinc/00/71/52/352007152.db2.gz GBXGCDRMSYANML-UHFFFAOYSA-N 2 0 213.325 0.102 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C1(C[NH+](C)C)CC1 ZINC000638144230 352007598 /nfs/dbraw/zinc/00/75/98/352007598.db2.gz MBNMNKSVSCHECH-SECBINFHSA-N 2 0 213.325 0.039 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C1(C[NH+](C)C)CC1 ZINC000638144215 352008774 /nfs/dbraw/zinc/00/87/74/352008774.db2.gz BOTYIHOZKWDZON-QWRGUYRKSA-N 2 0 239.363 0.524 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638076334 351949758 /nfs/dbraw/zinc/94/97/58/351949758.db2.gz KKWDNYZVQARALJ-WDEREUQCSA-N 2 0 223.320 0.244 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638077838 351951115 /nfs/dbraw/zinc/95/11/15/351951115.db2.gz BHBRBMHFGPZHKT-MNOVXSKESA-N 2 0 223.320 0.244 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638079311 351954452 /nfs/dbraw/zinc/95/44/52/351954452.db2.gz RWHOCNPNNKGSJW-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000638082000 351955591 /nfs/dbraw/zinc/95/55/91/351955591.db2.gz RPUDUBBZLCHYJQ-MNOVXSKESA-N 2 0 235.331 0.387 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000638150053 352011073 /nfs/dbraw/zinc/01/10/73/352011073.db2.gz VHXQCAUXYQDIDD-SRVKXCTJSA-N 2 0 241.379 0.946 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000638085114 351961001 /nfs/dbraw/zinc/96/10/01/351961001.db2.gz JNRPILGNRRUERK-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)CCC2C[NH2+]C2)C1 ZINC000638086692 351963982 /nfs/dbraw/zinc/96/39/82/351963982.db2.gz UMSZVIQSYHQWDI-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP CCC[NH2+]CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638146890 352011558 /nfs/dbraw/zinc/01/15/58/352011558.db2.gz JQHUKOMHYSAIHR-JTQLQIEISA-N 2 0 211.309 0.150 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000638090886 351968491 /nfs/dbraw/zinc/96/84/91/351968491.db2.gz INFANLWUBNSMLS-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000638093137 351971576 /nfs/dbraw/zinc/97/15/76/351971576.db2.gz BOOVQHQVJWTNCV-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC[N@H+](CC)C1CC1 ZINC000638096959 351976659 /nfs/dbraw/zinc/97/66/59/351976659.db2.gz ONMBQBOCBRPXGD-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000638100611 351980681 /nfs/dbraw/zinc/98/06/81/351980681.db2.gz LNQBVLCPCHTVNF-ZYHUDNBSSA-N 2 0 239.363 0.680 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)CCC1C[NH2+]C1 ZINC000638126995 351998121 /nfs/dbraw/zinc/99/81/21/351998121.db2.gz DZMQYNFBOPUERC-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H](C)[NH2+]CC ZINC000638127750 351999123 /nfs/dbraw/zinc/99/91/23/351999123.db2.gz LLYWPQXSGACPNU-LLVKDONJSA-N 2 0 229.368 0.833 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000638133518 352000699 /nfs/dbraw/zinc/00/06/99/352000699.db2.gz IIGXRRQEFNXQPG-UMNHJUIQSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638134478 352002657 /nfs/dbraw/zinc/00/26/57/352002657.db2.gz NODKZHRWUAEHRF-XWIASGKRSA-N 2 0 249.358 0.633 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000638136337 352003036 /nfs/dbraw/zinc/00/30/36/352003036.db2.gz YDEJZEDFWCVKEW-MXWKQRLJSA-N 2 0 239.363 0.726 20 0 BCADRP CC[C@H](C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000638139016 352005137 /nfs/dbraw/zinc/00/51/37/352005137.db2.gz RYULSHCFWYMGOL-VXGBXAGGSA-N 2 0 239.363 0.680 20 0 BCADRP CC[C@@H](C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000638139011 352005193 /nfs/dbraw/zinc/00/51/93/352005193.db2.gz RYULSHCFWYMGOL-NEPJUHHUSA-N 2 0 239.363 0.680 20 0 BCADRP O=C(CCC1C[NH2+]C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000638141800 352005549 /nfs/dbraw/zinc/00/55/49/352005549.db2.gz NHQAAAPRVQNWMS-GFCCVEGCSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000638176333 352042504 /nfs/dbraw/zinc/04/25/04/352042504.db2.gz VUWDMKOXNKWWRZ-NSHDSACASA-N 2 0 221.304 0.070 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000638194855 352057075 /nfs/dbraw/zinc/05/70/75/352057075.db2.gz JZINNDFBCQYJRL-JTQLQIEISA-N 2 0 247.342 0.904 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000638194437 352057145 /nfs/dbraw/zinc/05/71/45/352057145.db2.gz APSWZZYERZPULH-MNOVXSKESA-N 2 0 223.320 0.292 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000638197215 352059704 /nfs/dbraw/zinc/05/97/04/352059704.db2.gz VSOGGCGHWPDCQS-WDEREUQCSA-N 2 0 227.352 0.441 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC(C)([NH3+])CC1 ZINC000638196088 352060084 /nfs/dbraw/zinc/06/00/84/352060084.db2.gz PSXUOWCBOTXRLT-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638200118 352060654 /nfs/dbraw/zinc/06/06/54/352060654.db2.gz ONZMFAQDVNMUSH-UTUOFQBUSA-N 2 0 239.363 0.857 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H](C)[NH+](C)C)CC[C@H]1[NH3+] ZINC000638201068 352061551 /nfs/dbraw/zinc/06/15/51/352061551.db2.gz ARBKMCWWZWTVSJ-GMTAPVOTSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[NH+](C)C ZINC000638203204 352064260 /nfs/dbraw/zinc/06/42/60/352064260.db2.gz SJVXRHAFAQNMIK-VWYCJHECSA-N 2 0 225.336 0.147 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC000638203583 352064803 /nfs/dbraw/zinc/06/48/03/352064803.db2.gz GDIFDMNWSQRAFY-WDEREUQCSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC000638203582 352065212 /nfs/dbraw/zinc/06/52/12/352065212.db2.gz GDIFDMNWSQRAFY-QWRGUYRKSA-N 2 0 239.363 0.537 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000638201367 352065694 /nfs/dbraw/zinc/06/56/94/352065694.db2.gz VQVNYHHWNZKBDX-BBBLOLIVSA-N 2 0 213.325 0.371 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000638201388 352065825 /nfs/dbraw/zinc/06/58/25/352065825.db2.gz VQVNYHHWNZKBDX-UTLUCORTSA-N 2 0 213.325 0.371 20 0 BCADRP CC[C@H](C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)[NH+](C)C ZINC000638205595 352067464 /nfs/dbraw/zinc/06/74/64/352067464.db2.gz IMDBGFYVUKRMFP-GARJFASQSA-N 2 0 227.352 0.535 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000638208926 352071663 /nfs/dbraw/zinc/07/16/63/352071663.db2.gz WVXPZRXRUGVZBX-TUAOUCFPSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000638208928 352071738 /nfs/dbraw/zinc/07/17/38/352071738.db2.gz WVXPZRXRUGVZBX-WOPDTQHZSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH2+]1 ZINC000638209737 352072092 /nfs/dbraw/zinc/07/20/92/352072092.db2.gz FLJUBMATIJXXNH-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000638209616 352072411 /nfs/dbraw/zinc/07/24/11/352072411.db2.gz FAJWCQKTFYAXFR-IVZWLZJFSA-N 2 0 213.325 0.193 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NCC2C[NH2+]C2)CC[N@@H+]1C ZINC000638154730 352015165 /nfs/dbraw/zinc/01/51/65/352015165.db2.gz UEIORDQKOWRHRQ-WDEREUQCSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638155422 352018186 /nfs/dbraw/zinc/01/81/86/352018186.db2.gz JTOQEBFDVZPJKE-INTQDDNPSA-N 2 0 223.320 0.230 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000638156098 352018900 /nfs/dbraw/zinc/01/89/00/352018900.db2.gz GTFPNXGHQSDASN-IVZWLZJFSA-N 2 0 213.325 0.193 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000638156100 352019055 /nfs/dbraw/zinc/01/90/55/352019055.db2.gz GTFPNXGHQSDASN-LPEHRKFASA-N 2 0 213.325 0.193 20 0 BCADRP CC[C@H](C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[NH+](C)C ZINC000638157979 352022091 /nfs/dbraw/zinc/02/20/91/352022091.db2.gz NMKACZUHXLBWTA-GMTAPVOTSA-N 2 0 227.352 0.535 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)[NH+](C)C ZINC000638159073 352023204 /nfs/dbraw/zinc/02/32/04/352023204.db2.gz OCBFFMXTMZWBEG-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H](C)[NH2+]CC ZINC000638159957 352024055 /nfs/dbraw/zinc/02/40/55/352024055.db2.gz UCNFWQJSWVTUBN-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP COc1cccc([C@H]([NH3+])C(=O)NC[C@@H](C)[NH3+])c1 ZINC000638211517 352073413 /nfs/dbraw/zinc/07/34/13/352073413.db2.gz SHOUDPFOWJRXRF-KCJUWKMLSA-N 2 0 237.303 0.158 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000638158030 352025592 /nfs/dbraw/zinc/02/55/92/352025592.db2.gz NYHPJJBRTAPWEH-WOPDTQHZSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[C@@H](C)C[NH2+]1 ZINC000638157857 352025639 /nfs/dbraw/zinc/02/56/39/352025639.db2.gz GFTOGTYYUCCOCE-LMLFDSFASA-N 2 0 248.330 0.722 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000638157858 352025764 /nfs/dbraw/zinc/02/57/64/352025764.db2.gz GFTOGTYYUCCOCE-LNFKQOIKSA-N 2 0 248.330 0.722 20 0 BCADRP CC1(CNC(=O)C2=CC[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC000638161967 352026466 /nfs/dbraw/zinc/02/64/66/352026466.db2.gz JWTPTZXXEADMQI-LLVKDONJSA-N 2 0 237.347 0.540 20 0 BCADRP COc1cccc([C@@H]([NH3+])C(=O)NC[C@H](C)[NH3+])c1 ZINC000638211516 352073657 /nfs/dbraw/zinc/07/36/57/352073657.db2.gz SHOUDPFOWJRXRF-GZMMTYOYSA-N 2 0 237.303 0.158 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000638165088 352029942 /nfs/dbraw/zinc/02/99/42/352029942.db2.gz OOIMSMYSOIKTNU-NOOOWODRSA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000638165838 352030497 /nfs/dbraw/zinc/03/04/97/352030497.db2.gz SKGLUJCOYBFLBO-QNWHQSFQSA-N 2 0 249.358 0.620 20 0 BCADRP C[C@]1(CNC(=O)C2=CC[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000638164282 352032319 /nfs/dbraw/zinc/03/23/19/352032319.db2.gz KHBKEKVOWNKIFW-AAEUAGOBSA-N 2 0 237.347 0.540 20 0 BCADRP C[C@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[NH+](C)C ZINC000638170510 352035309 /nfs/dbraw/zinc/03/53/09/352035309.db2.gz LPDDAWAWYBDYKY-PWSUYJOCSA-N 2 0 225.336 0.149 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)c1oc(C[NH3+])cc1C ZINC000638211806 352074134 /nfs/dbraw/zinc/07/41/34/352074134.db2.gz BVNUXWDVPDJJIG-SECBINFHSA-N 2 0 239.319 0.775 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000638287975 352124475 /nfs/dbraw/zinc/12/44/75/352124475.db2.gz YOFFKZQAVDHQRA-QJPTWQEYSA-N 2 0 241.379 0.783 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638303402 352133170 /nfs/dbraw/zinc/13/31/70/352133170.db2.gz FLRTYHOAKPMOQU-NSHDSACASA-N 2 0 237.347 0.587 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638215928 352078195 /nfs/dbraw/zinc/07/81/95/352078195.db2.gz DYSPKFZQGWDMAE-ZYHUDNBSSA-N 2 0 237.347 0.621 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000638220901 352079904 /nfs/dbraw/zinc/07/99/04/352079904.db2.gz UDTYOVXXHIYJPR-KOLCDFICSA-N 2 0 213.325 0.182 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000638221169 352080168 /nfs/dbraw/zinc/08/01/68/352080168.db2.gz UZQANVMBXGCBNY-WCQYABFASA-N 2 0 239.363 0.668 20 0 BCADRP Cc1nccn1CC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000638220815 352080344 /nfs/dbraw/zinc/08/03/44/352080344.db2.gz SNXGHJBUSXPCAE-LBPRGKRZSA-N 2 0 236.319 0.389 20 0 BCADRP C[NH+](C)CC1(C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000638221562 352080992 /nfs/dbraw/zinc/08/09/92/352080992.db2.gz XPKYVYWHGNBWTR-LBPRGKRZSA-N 2 0 239.363 0.526 20 0 BCADRP C[C@H](C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[NH+](C)C ZINC000638237442 352088313 /nfs/dbraw/zinc/08/83/13/352088313.db2.gz JESJGRCEVOJOBL-IJLUTSLNSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)CCC1C[NH2+]C1 ZINC000638241664 352091484 /nfs/dbraw/zinc/09/14/84/352091484.db2.gz CYBVRTUDNKSHOA-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000638248544 352094666 /nfs/dbraw/zinc/09/46/66/352094666.db2.gz PQPFKDQKVCUXIW-UTUOFQBUSA-N 2 0 235.331 0.244 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000638248542 352094730 /nfs/dbraw/zinc/09/47/30/352094730.db2.gz PQPFKDQKVCUXIW-QJPTWQEYSA-N 2 0 235.331 0.244 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000638249797 352095359 /nfs/dbraw/zinc/09/53/59/352095359.db2.gz WWFUPGBIGRDDRQ-AEJSXWLSSA-N 2 0 228.340 0.150 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000638257729 352101573 /nfs/dbraw/zinc/10/15/73/352101573.db2.gz VYGDZZISNWSCMN-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP CN(C(=O)C1(C[NH+](C)C)CC1)C1(C[NH3+])CCC1 ZINC000638259064 352102882 /nfs/dbraw/zinc/10/28/82/352102882.db2.gz BCRXVMNPJKFHIL-UHFFFAOYSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000638260858 352103485 /nfs/dbraw/zinc/10/34/85/352103485.db2.gz BVZPHBDGUBYVFQ-SDDRHHMPSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])CCC(C)C ZINC000638260248 352104288 /nfs/dbraw/zinc/10/42/88/352104288.db2.gz XJXDGNQKPACVCJ-NXEZZACHSA-N 2 0 215.341 0.603 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638263509 352105670 /nfs/dbraw/zinc/10/56/70/352105670.db2.gz RXVUFSXXSWYDAK-WDEREUQCSA-N 2 0 237.347 0.538 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000638266657 352106338 /nfs/dbraw/zinc/10/63/38/352106338.db2.gz CYICSTONCBYGTH-TUAOUCFPSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000638266659 352106648 /nfs/dbraw/zinc/10/66/48/352106648.db2.gz CYICSTONCBYGTH-WOPDTQHZSA-N 2 0 241.379 0.994 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000638270123 352107213 /nfs/dbraw/zinc/10/72/13/352107213.db2.gz BDOJCDMXPSFNNC-LLVKDONJSA-N 2 0 241.379 0.973 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000638269727 352107404 /nfs/dbraw/zinc/10/74/04/352107404.db2.gz UANVFZAVUKVDFL-OPRDCNLKSA-N 2 0 213.325 0.228 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000638270607 352108769 /nfs/dbraw/zinc/10/87/69/352108769.db2.gz JHPGDLWQXYQGLY-WDEREUQCSA-N 2 0 239.363 0.727 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638271158 352109250 /nfs/dbraw/zinc/10/92/50/352109250.db2.gz TYIPQHIQZLDPSZ-VHSXEESVSA-N 2 0 223.320 0.291 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000638270861 352109564 /nfs/dbraw/zinc/10/95/64/352109564.db2.gz NKZKIQVMRUMPIY-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP CC1(C)CN(C(=O)CCC2C[NH2+]C2)CC[NH2+]1 ZINC000638271675 352109574 /nfs/dbraw/zinc/10/95/74/352109574.db2.gz ZMIBLDFNADJACJ-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638271156 352109576 /nfs/dbraw/zinc/10/95/76/352109576.db2.gz TYIPQHIQZLDPSZ-NXEZZACHSA-N 2 0 223.320 0.291 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000638332019 352153763 /nfs/dbraw/zinc/15/37/63/352153763.db2.gz CMOXIEPLHUFDHJ-DTWKUNHWSA-N 2 0 215.341 0.474 20 0 BCADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])C1CC1 ZINC000638332047 352153765 /nfs/dbraw/zinc/15/37/65/352153765.db2.gz LZXSHYCPVLRKQA-PWSUYJOCSA-N 2 0 239.363 0.524 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000638332131 352153941 /nfs/dbraw/zinc/15/39/41/352153941.db2.gz OCGFEFDINMKRLT-SCZZXKLOSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H](C(=O)N[C@@H](C[NH3+])C(C)(C)C)[NH+](C)C ZINC000638335720 352154440 /nfs/dbraw/zinc/15/44/40/352154440.db2.gz MGNVEMWLMHBWSP-BDAKNGLRSA-N 2 0 215.341 0.426 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000638335797 352154634 /nfs/dbraw/zinc/15/46/34/352154634.db2.gz UKVOTQINROCMNS-GARJFASQSA-N 2 0 227.352 0.698 20 0 BCADRP C[C@H](C(=O)N[C@H](C[NH3+])C(C)(C)C)[NH+](C)C ZINC000638335721 352154644 /nfs/dbraw/zinc/15/46/44/352154644.db2.gz MGNVEMWLMHBWSP-RKDXNWHRSA-N 2 0 215.341 0.426 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CCC1C[NH2+]C1 ZINC000638336549 352155067 /nfs/dbraw/zinc/15/50/67/352155067.db2.gz VXUGFDAVFDQNTC-SNVBAGLBSA-N 2 0 227.352 0.476 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000638336920 352155225 /nfs/dbraw/zinc/15/52/25/352155225.db2.gz KPJPAGCIYCNLAS-CKYFFXLPSA-N 2 0 227.352 0.428 20 0 BCADRP CN(CC[NH3+])C(=O)C12CCC[NH+](CCC1)C2 ZINC000638342418 352159133 /nfs/dbraw/zinc/15/91/33/352159133.db2.gz DUTWLQLNGBHMLL-UHFFFAOYSA-N 2 0 225.336 0.280 20 0 BCADRP CN(CC[NH3+])C(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638341916 352161744 /nfs/dbraw/zinc/16/17/44/352161744.db2.gz DGTOSIHPXGUERF-UHFFFAOYSA-N 2 0 247.342 0.292 20 0 BCADRP C[C@@H]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000638344728 352161800 /nfs/dbraw/zinc/16/18/00/352161800.db2.gz XTEHTOHUIPLBEX-USWWRNFRSA-N 2 0 237.347 0.477 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]C)CC[N@@H+]1C ZINC000638343246 352162346 /nfs/dbraw/zinc/16/23/46/352162346.db2.gz IVWZRWURKKUXHV-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H]1CCN(C(=O)CCC2C[NH2+]C2)C[C@@H]1C[NH3+] ZINC000638346231 352164949 /nfs/dbraw/zinc/16/49/49/352164949.db2.gz ZYAMBQLPLUZFGL-JQWIXIFHSA-N 2 0 239.363 0.429 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC(C)(C)CC[NH3+] ZINC000638355964 352168386 /nfs/dbraw/zinc/16/83/86/352168386.db2.gz UEQCPHADVCDWRZ-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH3+])[NH+](C)C ZINC000638365410 352176293 /nfs/dbraw/zinc/17/62/93/352176293.db2.gz ZWQDLHHETOSIGG-GMTAPVOTSA-N 2 0 227.352 0.713 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000638366268 352177847 /nfs/dbraw/zinc/17/78/47/352177847.db2.gz MLBGGPJIGYSSDT-NEPJUHHUSA-N 2 0 249.358 0.825 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000638366271 352178007 /nfs/dbraw/zinc/17/80/07/352178007.db2.gz MLBGGPJIGYSSDT-VXGBXAGGSA-N 2 0 249.358 0.825 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000638366270 352178163 /nfs/dbraw/zinc/17/81/63/352178163.db2.gz MLBGGPJIGYSSDT-RYUDHWBXSA-N 2 0 249.358 0.825 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC[N@@H+]1C ZINC000638370391 352180196 /nfs/dbraw/zinc/18/01/96/352180196.db2.gz LYDQJCGFYGEURN-FIQHERPVSA-N 2 0 241.379 0.959 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000638370304 352180915 /nfs/dbraw/zinc/18/09/15/352180915.db2.gz KZGMHLOIBUKQCN-BDAKNGLRSA-N 2 0 239.319 0.902 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC000638369103 352181636 /nfs/dbraw/zinc/18/16/36/352181636.db2.gz PCVPKESTRKAWGS-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638370976 352184463 /nfs/dbraw/zinc/18/44/63/352184463.db2.gz OEHBMCBNBWVNBC-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000638375555 352185180 /nfs/dbraw/zinc/18/51/80/352185180.db2.gz CAUXOCNEHVIIBN-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638376305 352186371 /nfs/dbraw/zinc/18/63/71/352186371.db2.gz JKVRWXDFTBCWTJ-LBPRGKRZSA-N 2 0 239.363 0.834 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[NH2+]C12CCCC2)[NH+](C)C ZINC000638378251 352189639 /nfs/dbraw/zinc/18/96/39/352189639.db2.gz ZZMOCWXSFKXVRL-GHMZBOCLSA-N 2 0 239.363 0.727 20 0 BCADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@]2(OC)CCOC2)C1 ZINC000638381360 352193031 /nfs/dbraw/zinc/19/30/31/352193031.db2.gz KWPVDBAMIUAMSU-OLZOCXBDSA-N 2 0 242.363 0.723 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C1=CC[C@@H]([NH3+])C1)C2 ZINC000638384357 352195204 /nfs/dbraw/zinc/19/52/04/352195204.db2.gz OIGDSOLCGYYLHJ-SCRDCRAPSA-N 2 0 249.358 0.621 20 0 BCADRP C[C@H](C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+])[NH+](C)C ZINC000638389222 352196527 /nfs/dbraw/zinc/19/65/27/352196527.db2.gz MBBWBWIXSZAGKF-IJLUTSLNSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000638389581 352196559 /nfs/dbraw/zinc/19/65/59/352196559.db2.gz HTDLLEOAWPNJFZ-VWYCJHECSA-N 2 0 227.352 0.700 20 0 BCADRP C[NH+](C)CC1(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000638427491 352235454 /nfs/dbraw/zinc/23/54/54/352235454.db2.gz VMQKZDPYSSIZJA-UHFFFAOYSA-N 2 0 237.347 0.196 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)CCC1C[NH2+]C1 ZINC000638431659 352236545 /nfs/dbraw/zinc/23/65/45/352236545.db2.gz UTUIDCIXBKAXFH-LLVKDONJSA-N 2 0 227.352 0.476 20 0 BCADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]C)[NH+](C)C ZINC000638429785 352237803 /nfs/dbraw/zinc/23/78/03/352237803.db2.gz AEGZERPQHNKAOH-IUCAKERBSA-N 2 0 201.314 0.051 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000638394954 352200415 /nfs/dbraw/zinc/20/04/15/352200415.db2.gz NHDOGBLJINSFNL-MXWKQRLJSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]([NH3+])C[C@@H]1C)[NH+](C)C ZINC000638397474 352201771 /nfs/dbraw/zinc/20/17/71/352201771.db2.gz PLMTZOVRKSIWAS-AEJSXWLSSA-N 2 0 213.325 0.275 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638401479 352207698 /nfs/dbraw/zinc/20/76/98/352207698.db2.gz BSIMUZCHTGMCAO-SECBINFHSA-N 2 0 211.309 0.230 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000638419188 352229060 /nfs/dbraw/zinc/22/90/60/352229060.db2.gz VQSDJRPLNWKUCX-UHFFFAOYSA-N 2 0 249.314 0.610 20 0 BCADRP CC[C@H](CO)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000219372004 363134666 /nfs/dbraw/zinc/13/46/66/363134666.db2.gz WNDHGJBZHXQZDZ-HBNTYKKESA-N 2 0 200.326 0.864 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH2+]C2)CC[N@@H+]1C ZINC000638440186 352249930 /nfs/dbraw/zinc/24/99/30/352249930.db2.gz MXUXVGMXDVMGSM-DMDPSCGWSA-N 2 0 239.363 0.585 20 0 BCADRP O=C(C[NH2+]CC1CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638497808 352317707 /nfs/dbraw/zinc/31/77/07/352317707.db2.gz HVSPONADMCSPKV-LLVKDONJSA-N 2 0 237.347 0.387 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000638499885 352319090 /nfs/dbraw/zinc/31/90/90/352319090.db2.gz SKMZUGQGCXOYLC-JTQLQIEISA-N 2 0 237.347 0.659 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)CCC(C)(C)[NH3+] ZINC000638482684 352291473 /nfs/dbraw/zinc/29/14/73/352291473.db2.gz DQHHPWIAYLYPCA-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000638482695 352291511 /nfs/dbraw/zinc/29/15/11/352291511.db2.gz FBPLMXWVBJWUJV-RYUDHWBXSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638499588 352319544 /nfs/dbraw/zinc/31/95/44/352319544.db2.gz QWTZRBVLKHUZAL-CMPLNLGQSA-N 2 0 239.363 0.905 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638484896 352295306 /nfs/dbraw/zinc/29/53/06/352295306.db2.gz VZISAWCUYOZCAJ-GHMZBOCLSA-N 2 0 227.352 0.298 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000638490169 352299140 /nfs/dbraw/zinc/29/91/40/352299140.db2.gz UNQBQQHEYYBYRR-WDEREUQCSA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638491970 352303808 /nfs/dbraw/zinc/30/38/08/352303808.db2.gz QDFZXIMXYDSFMX-NWDGAFQWSA-N 2 0 237.347 0.490 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)CCC1C[NH2+]C1 ZINC000638492022 352304383 /nfs/dbraw/zinc/30/43/83/352304383.db2.gz QWLDNOFHLRTDIH-LBPRGKRZSA-N 2 0 239.363 0.442 20 0 BCADRP [NH3+]C1(CC(=O)N[C@@H]2CC[NH2+]C23CCC3)CCC1 ZINC000638500416 352321012 /nfs/dbraw/zinc/32/10/12/352321012.db2.gz VFVJQAXDLAPMHT-SNVBAGLBSA-N 2 0 237.347 0.659 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@H]2CC[NH2+]C23CCC3)co1 ZINC000638506080 352327617 /nfs/dbraw/zinc/32/76/17/352327617.db2.gz PWZGCEHLXWEBAW-NSHDSACASA-N 2 0 249.314 0.753 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@H](C)[NH3+] ZINC000638511059 352335478 /nfs/dbraw/zinc/33/54/78/352335478.db2.gz ZGWQFGPZKVJAEC-KXUCPTDWSA-N 2 0 225.336 0.371 20 0 BCADRP CC[C@H](C(=O)N(CC)CC[NH3+])[NH+](C)C ZINC000638511953 352335734 /nfs/dbraw/zinc/33/57/34/352335734.db2.gz CVKTZLBKYACGCK-SECBINFHSA-N 2 0 201.314 0.134 20 0 BCADRP [NH3+][C@@H](C(=O)N[C@@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000638511410 352336289 /nfs/dbraw/zinc/33/62/89/352336289.db2.gz OXCNROCGGVKTSG-GHMZBOCLSA-N 2 0 237.347 0.515 20 0 BCADRP O=C(CCC1C[NH2+]C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638512070 352337700 /nfs/dbraw/zinc/33/77/00/352337700.db2.gz IIPSLJLRYTYWSS-LLVKDONJSA-N 2 0 237.347 0.387 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638513602 352339148 /nfs/dbraw/zinc/33/91/48/352339148.db2.gz NQVDGRNZGKZJAZ-VHSXEESVSA-N 2 0 225.336 0.385 20 0 BCADRP CCN(CC[NH3+])C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638522280 352355788 /nfs/dbraw/zinc/35/57/88/352355788.db2.gz CSSMDWAQSQQDLY-YOGCLGLASA-N 2 0 239.363 0.714 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000638522649 352355923 /nfs/dbraw/zinc/35/59/23/352355923.db2.gz MCSNNUIAGRWEBA-LBPRGKRZSA-N 2 0 235.331 0.536 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000638516075 352344045 /nfs/dbraw/zinc/34/40/45/352344045.db2.gz MFFQGFLOIPYUJS-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000638515604 352344554 /nfs/dbraw/zinc/34/45/54/352344554.db2.gz AHFUWNLESHFIPV-CYBMUJFWSA-N 2 0 247.342 0.681 20 0 BCADRP CCN(CC[NH3+])C(=O)CC[C@H]1CC[NH2+]C1 ZINC000638516546 352344857 /nfs/dbraw/zinc/34/48/57/352344857.db2.gz DMEVCMIDYZAGSN-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP CCN(CC[NH3+])C(=O)C1(C[NH+](C)C)CC1 ZINC000638517208 352345422 /nfs/dbraw/zinc/34/54/22/352345422.db2.gz RIJDLODHVAEVRL-UHFFFAOYSA-N 2 0 213.325 0.135 20 0 BCADRP CCN(CC[NH3+])C(=O)c1ccccc1CC[NH3+] ZINC000638516714 352345731 /nfs/dbraw/zinc/34/57/31/352345731.db2.gz WNMWCAVPZPDYPQ-UHFFFAOYSA-N 2 0 235.331 0.609 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000638516931 352346216 /nfs/dbraw/zinc/34/62/16/352346216.db2.gz JWJSFTDCINISAS-JTQLQIEISA-N 2 0 229.368 0.818 20 0 BCADRP CCN(CC[NH3+])C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000638517645 352348307 /nfs/dbraw/zinc/34/83/07/352348307.db2.gz YBNHTNNUTBBDEW-LBPRGKRZSA-N 2 0 235.331 0.884 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C)[C@@H](C)[NH3+] ZINC000638528505 352361813 /nfs/dbraw/zinc/36/18/13/352361813.db2.gz KCBGKNDBRBCNHM-IJLUTSLNSA-N 2 0 241.379 0.816 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000638528885 352361957 /nfs/dbraw/zinc/36/19/57/352361957.db2.gz VOXBXTADWROICB-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000638528302 352362978 /nfs/dbraw/zinc/36/29/78/352362978.db2.gz DWKWFORBWOYJLU-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC000638573572 352399535 /nfs/dbraw/zinc/39/95/35/352399535.db2.gz HFJVXTRCWBTVMP-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP C(C[NH2+][C@@H]1CCCNC1)C[C@H]1CCC[NH2+]1 ZINC000414957911 352378649 /nfs/dbraw/zinc/37/86/49/352378649.db2.gz CDCHIDAVXSRUFW-VXGBXAGGSA-N 2 0 211.353 0.860 20 0 BCADRP C(C[NH2+][C@@H]1CCCNC1)C[C@@H]1CCC[NH2+]1 ZINC000414957908 352378749 /nfs/dbraw/zinc/37/87/49/352378749.db2.gz CDCHIDAVXSRUFW-NWDGAFQWSA-N 2 0 211.353 0.860 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000638567065 352393676 /nfs/dbraw/zinc/39/36/76/352393676.db2.gz IRQDMSMWCWWKIF-VHSXEESVSA-N 2 0 227.352 0.761 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638567465 352394601 /nfs/dbraw/zinc/39/46/01/352394601.db2.gz MMOVSVRZYJCIMG-HOSYDEDBSA-N 2 0 227.352 0.761 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]([NH3+])CC(C)C ZINC000638522919 352357493 /nfs/dbraw/zinc/35/74/93/352357493.db2.gz VDYHBAAAYQKHKB-VIFPVBQESA-N 2 0 201.314 0.167 20 0 BCADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000638586529 352415280 /nfs/dbraw/zinc/41/52/80/352415280.db2.gz SCLXKJNPECTLMG-SNVBAGLBSA-N 2 0 245.367 0.054 20 0 BCADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]([NH3+])CC(C)C ZINC000638586600 352416537 /nfs/dbraw/zinc/41/65/37/352416537.db2.gz UUBWRYTXENDKEF-NSHDSACASA-N 2 0 245.367 0.054 20 0 BCADRP C[NH2+]CCOCCN(C)C(=O)[C@H]([NH3+])CC(C)C ZINC000638586598 352416638 /nfs/dbraw/zinc/41/66/38/352416638.db2.gz UUBWRYTXENDKEF-LLVKDONJSA-N 2 0 245.367 0.054 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])C[NH2+]1 ZINC000638652000 352492514 /nfs/dbraw/zinc/49/25/14/352492514.db2.gz PXSSARKKADJQJV-FIQHERPVSA-N 2 0 239.363 0.761 20 0 BCADRP COCCN1CC[C@@H]([NH2+]CCC[C@H]2CCO2)C1 ZINC000638636660 352478686 /nfs/dbraw/zinc/47/86/86/352478686.db2.gz GIGQNOGCLXHHLH-OLZOCXBDSA-N 2 0 242.363 0.866 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)[NH+](C)C ZINC000638642596 352484533 /nfs/dbraw/zinc/48/45/33/352484533.db2.gz XBENFZLRTFWQEU-LPEHRKFASA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)C[NH2+]1 ZINC000638642813 352484610 /nfs/dbraw/zinc/48/46/10/352484610.db2.gz KBVNTOSZUAXKHF-OUAUKWLOSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638643907 352486030 /nfs/dbraw/zinc/48/60/30/352486030.db2.gz NEBOGDGGOBIUDU-MMWGEVLESA-N 2 0 227.352 0.617 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)C[NH2+]1 ZINC000638643626 352486085 /nfs/dbraw/zinc/48/60/85/352486085.db2.gz MQDAEZCKOBFLEO-CSMHCCOUSA-N 2 0 235.278 0.226 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000638643529 352486375 /nfs/dbraw/zinc/48/63/75/352486375.db2.gz LRNSSDORJOSOEE-AXFHLTTASA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)CC[NH2+]C2CC2)C[NH2+]1 ZINC000638643201 352487269 /nfs/dbraw/zinc/48/72/69/352487269.db2.gz IMOUQWAABUIBOI-MWLCHTKSSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)CCCC[NH3+])C[NH2+]1 ZINC000638645058 352488435 /nfs/dbraw/zinc/48/84/35/352488435.db2.gz UBUBPHNOPDQEOO-VHSXEESVSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[NH2+]1 ZINC000638644880 352488525 /nfs/dbraw/zinc/48/85/25/352488525.db2.gz IRHJYBMYJGUHCU-PWSUYJOCSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[NH2+]1 ZINC000638646340 352489192 /nfs/dbraw/zinc/48/91/92/352489192.db2.gz ZFGOSMLOSUJRNN-BJDJZHNGSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)C[NH2+]1 ZINC000638645692 352489538 /nfs/dbraw/zinc/48/95/38/352489538.db2.gz WRFOUWOVCVSEJZ-UTLUCORTSA-N 2 0 225.336 0.241 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)C2([NH3+])CCC2)C[NH2+]1 ZINC000638646047 352489818 /nfs/dbraw/zinc/48/98/18/352489818.db2.gz XLLXBDHLXYMZLN-IUCAKERBSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)CC2([NH3+])CCC2)C[NH2+]1 ZINC000638653785 352495488 /nfs/dbraw/zinc/49/54/88/352495488.db2.gz HGDLPNVULOCGAY-VHSXEESVSA-N 2 0 225.336 0.515 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638655356 352496231 /nfs/dbraw/zinc/49/62/31/352496231.db2.gz PQMGUPMLNJKDLW-QWRGUYRKSA-N 2 0 227.352 0.631 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2[NH2+]CCC2(C)C)C[NH2+]1 ZINC000638653794 352496287 /nfs/dbraw/zinc/49/62/87/352496287.db2.gz ZHBIDRPPFUBOFE-MXWKQRLJSA-N 2 0 239.363 0.631 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638653911 352496581 /nfs/dbraw/zinc/49/65/81/352496581.db2.gz IQTWELHZXCQJBK-UMNHJUIQSA-N 2 0 227.352 0.761 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)C(C)(C)C[NH3+])C[NH2+]1 ZINC000638654534 352497352 /nfs/dbraw/zinc/49/73/52/352497352.db2.gz LXMFXEKRDKEPRY-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)C2([NH3+])CCCCC2)C[NH2+]1 ZINC000638655882 352498505 /nfs/dbraw/zinc/49/85/05/352498505.db2.gz RSAQKNYSHHTWNX-MNOVXSKESA-N 2 0 239.363 0.905 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NCCOCCC[NH3+] ZINC000638664123 352506084 /nfs/dbraw/zinc/50/60/84/352506084.db2.gz QSMNGNKOVVSMRY-LLVKDONJSA-N 2 0 245.367 0.232 20 0 BCADRP CC[C@@]1(C(=O)NCCOCCC[NH3+])CCC[NH2+]1 ZINC000638663110 352506834 /nfs/dbraw/zinc/50/68/34/352506834.db2.gz JOQCIXRDBFYIMS-LBPRGKRZSA-N 2 0 243.351 0.000 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N(C)CCOCC[NH3+] ZINC000638675279 352514670 /nfs/dbraw/zinc/51/46/70/352514670.db2.gz SNTGTHNGDBFKFD-UHFFFAOYSA-N 2 0 245.367 0.185 20 0 BCADRP CN(CCOCC[NH3+])C(=O)C1([NH3+])CCCCC1 ZINC000638680420 352518874 /nfs/dbraw/zinc/51/88/74/352518874.db2.gz PWSPONSQECVBNW-UHFFFAOYSA-N 2 0 243.351 0.082 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000388767068 352555783 /nfs/dbraw/zinc/55/57/83/352555783.db2.gz SZOBYYBGDHKPFJ-YNEHKIRRSA-N 2 0 244.379 0.704 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000638727834 352586258 /nfs/dbraw/zinc/58/62/58/352586258.db2.gz MIXXRJFRFQAWAM-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(C)(C)[NH3+] ZINC000040921030 352599886 /nfs/dbraw/zinc/59/98/86/352599886.db2.gz NSRKSUHUOSDFSN-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000041680055 352615898 /nfs/dbraw/zinc/61/58/98/352615898.db2.gz CBPGIOGPKTVYAA-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000041680210 352615930 /nfs/dbraw/zinc/61/59/30/352615930.db2.gz OHKVPMLASYLGBD-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514414 352653804 /nfs/dbraw/zinc/65/38/04/352653804.db2.gz MSRJWOZMLCSYIG-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000044798767 352657350 /nfs/dbraw/zinc/65/73/50/352657350.db2.gz DZMIJOSCNOMNSX-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000044806756 352657433 /nfs/dbraw/zinc/65/74/33/352657433.db2.gz SFMPOWSGAZSAOW-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP CC(C)CNC(=O)CN1C[C@H](C[NH3+])C[C@H]1C ZINC000122300325 352662713 /nfs/dbraw/zinc/66/27/13/352662713.db2.gz URUMEQSODDSXCU-MNOVXSKESA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)CNC(=O)CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122300131 352663286 /nfs/dbraw/zinc/66/32/86/352663286.db2.gz URUMEQSODDSXCU-WDEREUQCSA-N 2 0 227.352 0.428 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000638767589 352708021 /nfs/dbraw/zinc/70/80/21/352708021.db2.gz HIUNKQLOBRMHHH-UHTWSYAYSA-N 2 0 247.342 0.861 20 0 BCADRP CC[C@@]1(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CCC[NH2+]1 ZINC000638768164 352708955 /nfs/dbraw/zinc/70/89/55/352708955.db2.gz RBKLVSBRAIAUCG-UMNHJUIQSA-N 2 0 225.336 0.385 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638773468 352714934 /nfs/dbraw/zinc/71/49/34/352714934.db2.gz MAGZVYRQRANCLB-VHSXEESVSA-N 2 0 213.325 0.241 20 0 BCADRP Cc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000020264484 352678973 /nfs/dbraw/zinc/67/89/73/352678973.db2.gz SHVRJXKGRCICQX-GFCCVEGCSA-N 2 0 208.305 0.746 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)[C@H](C)[NH3+] ZINC000638791849 352752427 /nfs/dbraw/zinc/75/24/27/352752427.db2.gz VLQJVJUSLZRQEV-IVZWLZJFSA-N 2 0 213.325 0.084 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC([NH+](C)C)C1 ZINC000334215129 352814014 /nfs/dbraw/zinc/81/40/14/352814014.db2.gz QMWSJTQPZNYIDK-QWRGUYRKSA-N 2 0 239.363 0.632 20 0 BCADRP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000334221152 352824785 /nfs/dbraw/zinc/82/47/85/352824785.db2.gz WKJNROUNVWTACV-GHMZBOCLSA-N 2 0 225.336 0.006 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCC[NH3+] ZINC000368687143 187898005 /nfs/dbraw/zinc/89/80/05/187898005.db2.gz IUEQTWBXPMYYFY-QWRGUYRKSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372879393 187900907 /nfs/dbraw/zinc/90/09/07/187900907.db2.gz OWCLEVYVOHXRFV-VHSXEESVSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000126829642 187909691 /nfs/dbraw/zinc/90/96/91/187909691.db2.gz RLXHGBNCHXBLNY-GFCCVEGCSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638803095 352975984 /nfs/dbraw/zinc/97/59/84/352975984.db2.gz DXXVRDHSNLOJIY-MRVPVSSYSA-N 2 0 235.287 0.218 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000627068886 363200352 /nfs/dbraw/zinc/20/03/52/363200352.db2.gz KPXCMWJAZVGGCO-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP CC[NH+]1CCC([NH2+]CCC(=O)N(C)C)CC1 ZINC000037503198 358473762 /nfs/dbraw/zinc/47/37/62/358473762.db2.gz NVYHKTXYEGXTST-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638841973 353018098 /nfs/dbraw/zinc/01/80/98/353018098.db2.gz IFWKTIKVMQDNAA-SECBINFHSA-N 2 0 233.315 0.296 20 0 BCADRP C[NH+](C)CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638841334 353018121 /nfs/dbraw/zinc/01/81/21/353018121.db2.gz WJVFPSYZYVXVMC-SNVBAGLBSA-N 2 0 213.325 0.278 20 0 BCADRP CO[C@@]1(C[NH2+]CC2=CC[N@H+](C)CC2)CCOC1 ZINC000638838535 353023320 /nfs/dbraw/zinc/02/33/20/353023320.db2.gz LCXOIITYJMCSRK-CYBMUJFWSA-N 2 0 240.347 0.643 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000638854068 353024887 /nfs/dbraw/zinc/02/48/87/353024887.db2.gz NEQOSNKSCDQFSD-NEPJUHHUSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH+](C)CC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638845211 353025987 /nfs/dbraw/zinc/02/59/87/353025987.db2.gz JXAIKUZDPNQJGC-UHFFFAOYSA-N 2 0 247.342 0.510 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000638815253 352996409 /nfs/dbraw/zinc/99/64/09/352996409.db2.gz BWPFRGYKXAMBLI-VHSXEESVSA-N 2 0 211.309 0.078 20 0 BCADRP [NH3+]CC1(CC(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000638817640 352997765 /nfs/dbraw/zinc/99/77/65/352997765.db2.gz SKNAHIYJEPMTLM-LLVKDONJSA-N 2 0 239.363 0.845 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000638818677 352998660 /nfs/dbraw/zinc/99/86/60/352998660.db2.gz FANNNEUOUMOEMK-RYUDHWBXSA-N 2 0 239.363 0.716 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638818600 352998923 /nfs/dbraw/zinc/99/89/23/352998923.db2.gz ZNPGCWPYNMXPSM-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CC1(C(=O)NCC[C@H]2CCC[NH2+]C2)C[NH2+]C1 ZINC000422817644 192478539 /nfs/dbraw/zinc/47/85/39/192478539.db2.gz DPDOILWQMWYSEM-SNVBAGLBSA-N 2 0 225.336 0.102 20 0 BCADRP CO[C@@H](C[NH3+])CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638819587 352999282 /nfs/dbraw/zinc/99/92/82/352999282.db2.gz KUSACYKSRZWHET-WDEREUQCSA-N 2 0 243.351 0.080 20 0 BCADRP CO[C@@H](C[NH3+])CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638819584 352999576 /nfs/dbraw/zinc/99/95/76/352999576.db2.gz KUSACYKSRZWHET-GHMZBOCLSA-N 2 0 243.351 0.080 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638820227 353000252 /nfs/dbraw/zinc/00/02/52/353000252.db2.gz SWFQCCNHEBTSFH-GHMZBOCLSA-N 2 0 227.352 0.844 20 0 BCADRP C[C@]1(C(=O)N2CCCCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000638821879 353002699 /nfs/dbraw/zinc/00/26/99/353002699.db2.gz CKJVAHHHHBYEFK-AAEUAGOBSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000638823508 353005027 /nfs/dbraw/zinc/00/50/27/353005027.db2.gz UFOBBIKOSGQLFZ-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP CC1([NH+]2CCCC2)CCN(C(=O)C[NH3+])CC1 ZINC000638860152 353035996 /nfs/dbraw/zinc/03/59/96/353035996.db2.gz VUWRWKKZGXRAHH-UHFFFAOYSA-N 2 0 225.336 0.422 20 0 BCADRP CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000334392626 353064714 /nfs/dbraw/zinc/06/47/14/353064714.db2.gz XXUBADMKLKYLIP-NSHDSACASA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[NH+](CC)CC ZINC000638913832 353072133 /nfs/dbraw/zinc/07/21/33/353072133.db2.gz DYLARVOLVXTPCR-SDDRHHMPSA-N 2 0 239.363 0.680 20 0 BCADRP [NH3+][C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccccc1 ZINC000638913874 353072283 /nfs/dbraw/zinc/07/22/83/353072283.db2.gz GOFWZLNHKSPGGR-AVGNSLFASA-N 2 0 245.326 0.649 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000638915454 353073945 /nfs/dbraw/zinc/07/39/45/353073945.db2.gz MQGUKVYDOGYFBJ-AVGNSLFASA-N 2 0 245.326 0.568 20 0 BCADRP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915167 353074123 /nfs/dbraw/zinc/07/41/23/353074123.db2.gz ILCRONXLXBQHOW-ZDEQEGDKSA-N 2 0 249.358 0.195 20 0 BCADRP [NH3+]CC1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCCC1 ZINC000638911105 353075521 /nfs/dbraw/zinc/07/55/21/353075521.db2.gz YTVPMZUJVUDWIB-UWVGGRQHSA-N 2 0 223.320 0.078 20 0 BCADRP CCCC[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000032021526 353042881 /nfs/dbraw/zinc/04/28/81/353042881.db2.gz QAIJOLKECKVNGN-UHFFFAOYSA-N 2 0 227.352 0.540 20 0 BCADRP [NH3+]CC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638873483 353043692 /nfs/dbraw/zinc/04/36/92/353043692.db2.gz IEWQYMLZELJHKH-LLVKDONJSA-N 2 0 221.304 0.021 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638873868 353043808 /nfs/dbraw/zinc/04/38/08/353043808.db2.gz MOBBONCDAAUUBS-ZYHUDNBSSA-N 2 0 235.331 0.410 20 0 BCADRP [NH3+]CC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638873490 353043899 /nfs/dbraw/zinc/04/38/99/353043899.db2.gz IEWQYMLZELJHKH-NSHDSACASA-N 2 0 221.304 0.021 20 0 BCADRP C[C@@H]1CN(C(=O)c2coc(C[NH3+])c2)C[C@H]1C[NH3+] ZINC000638895282 353055831 /nfs/dbraw/zinc/05/58/31/353055831.db2.gz UELRRRVZVYAXLM-PSASIEDQSA-N 2 0 237.303 0.405 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916904 353080599 /nfs/dbraw/zinc/08/05/99/353080599.db2.gz GYINGFXHRKYATG-DCAQKATOSA-N 2 0 225.336 0.323 20 0 BCADRP [NH3+]C1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCC1 ZINC000638917492 353081205 /nfs/dbraw/zinc/08/12/05/353081205.db2.gz FUOGVOUAWZFAFD-PHIMTYICSA-N 2 0 237.347 0.611 20 0 BCADRP CC[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]1 ZINC000638925705 353085926 /nfs/dbraw/zinc/08/59/26/353085926.db2.gz UAXFVSCVXGMPPE-NTZNESFSSA-N 2 0 237.347 0.481 20 0 BCADRP O=C([C@H]1CC12CC[NH2+]CC2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925765 353085945 /nfs/dbraw/zinc/08/59/45/353085945.db2.gz UXXAFIFFHVSKLM-GRYCIOLGSA-N 2 0 249.358 0.339 20 0 BCADRP O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926639 353087271 /nfs/dbraw/zinc/08/72/71/353087271.db2.gz JNQQAWGPQRJEDZ-LMLFDSFASA-N 2 0 246.314 0.476 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000638930468 353091677 /nfs/dbraw/zinc/09/16/77/353091677.db2.gz LIMAVUNMBVKNTO-MPPDQPJWSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000638933175 353095012 /nfs/dbraw/zinc/09/50/12/353095012.db2.gz WZWUQGQJXVYEBR-XWLWVQCSSA-N 2 0 225.336 0.323 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638934488 353098053 /nfs/dbraw/zinc/09/80/53/353098053.db2.gz IKKFLOAIISIXFJ-ZJUUUORDSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CC[NH2+]C1CC1 ZINC000638928899 353098697 /nfs/dbraw/zinc/09/86/97/353098697.db2.gz CIEZJBPKALECHE-RKDXNWHRSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC[N@@H+]1C ZINC000638929103 353098892 /nfs/dbraw/zinc/09/88/92/353098892.db2.gz NQPYCKCNBDYROQ-LNFKQOIKSA-N 2 0 225.336 0.275 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000044526595 188043458 /nfs/dbraw/zinc/04/34/58/188043458.db2.gz HXYJABZZLVHKPR-LLVKDONJSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)C[C@@H](C)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000336644885 188010785 /nfs/dbraw/zinc/01/07/85/188010785.db2.gz AUXOINLHSQEBFO-GHMZBOCLSA-N 2 0 202.342 0.920 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000341009951 188043654 /nfs/dbraw/zinc/04/36/54/188043654.db2.gz DOQBYQURCGOPEZ-LLVKDONJSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638942814 353139698 /nfs/dbraw/zinc/13/96/98/353139698.db2.gz LHXJLVIWFBOYGA-MGCOHNPYSA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000040831231 188043380 /nfs/dbraw/zinc/04/33/80/188043380.db2.gz VJRSWMSLFTUGKH-RYUDHWBXSA-N 2 0 241.379 0.831 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000037643490 358474958 /nfs/dbraw/zinc/47/49/58/358474958.db2.gz WDTGCNHBASYULQ-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134557227 188049757 /nfs/dbraw/zinc/04/97/57/188049757.db2.gz AIMAZAYDEZTSIA-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638945867 353147479 /nfs/dbraw/zinc/14/74/79/353147479.db2.gz JFMFWGIUFVCEJS-VHSXEESVSA-N 2 0 213.325 0.323 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638945868 353147798 /nfs/dbraw/zinc/14/77/98/353147798.db2.gz JFMFWGIUFVCEJS-ZJUUUORDSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000638947011 353150055 /nfs/dbraw/zinc/15/00/55/353150055.db2.gz RDSCAWOXIWWDPU-BXKDBHETSA-N 2 0 233.315 0.707 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000334226331 535203983 /nfs/dbraw/zinc/20/39/83/535203983.db2.gz MXPJSZPODUXPTJ-LLVKDONJSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638971591 353179242 /nfs/dbraw/zinc/17/92/42/353179242.db2.gz ZZZLPGABYJCBIZ-KKOKHZNYSA-N 2 0 239.363 0.618 20 0 BCADRP CCC1([NH+](C)C)CCN(C(=O)C[NH3+])CC1 ZINC000638975559 353182377 /nfs/dbraw/zinc/18/23/77/353182377.db2.gz LESKBVKNTXFADU-UHFFFAOYSA-N 2 0 213.325 0.278 20 0 BCADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)C1CC1 ZINC000638987282 353212845 /nfs/dbraw/zinc/21/28/45/353212845.db2.gz OGDRKQZOBGHTNC-UHFFFAOYSA-N 2 0 246.314 0.840 20 0 BCADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC[NH3+] ZINC000417541559 259440239 /nfs/dbraw/zinc/44/02/39/259440239.db2.gz YVGJNMKBTXSFSU-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH2+]2)C[NH2+]1 ZINC000627074112 363210084 /nfs/dbraw/zinc/21/00/84/363210084.db2.gz NIKCYXRMNZVYJD-GMTAPVOTSA-N 2 0 240.351 0.178 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000422824663 192481744 /nfs/dbraw/zinc/48/17/44/192481744.db2.gz HTFIGZROWWHKAB-DCAQKATOSA-N 2 0 229.368 0.578 20 0 BCADRP [NH3+]CCCCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639020941 353279389 /nfs/dbraw/zinc/27/93/89/353279389.db2.gz GNMINORPCVQJLH-NEPJUHHUSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]C1 ZINC000639022242 353277709 /nfs/dbraw/zinc/27/77/09/353277709.db2.gz JRUIFOCQJBPAKX-NHCYSSNCSA-N 2 0 225.336 0.372 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C)C1CC([NH3+])C1 ZINC000449634028 201992949 /nfs/dbraw/zinc/99/29/49/201992949.db2.gz QLCDCVNKRBWRAF-XNWIYYODSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000627074241 363211459 /nfs/dbraw/zinc/21/14/59/363211459.db2.gz UKBGHCDASUBJRM-GARJFASQSA-N 2 0 240.351 0.036 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000250234552 353269811 /nfs/dbraw/zinc/26/98/11/353269811.db2.gz HBXIQPSTUIZWQX-VWYCJHECSA-N 2 0 225.336 0.419 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H](C)[NH3+] ZINC000250204594 353269867 /nfs/dbraw/zinc/26/98/67/353269867.db2.gz BUONTMXCURYTAB-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[NH+]1CCC([NH2+]CCOCCO)CC1 ZINC000020198537 188232541 /nfs/dbraw/zinc/23/25/41/188232541.db2.gz PXSNZTACGBQTEI-UHFFFAOYSA-N 2 0 230.352 0.458 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639025167 353284323 /nfs/dbraw/zinc/28/43/23/353284323.db2.gz YSKUEBJGZDKFRI-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000639030317 353296457 /nfs/dbraw/zinc/29/64/57/353296457.db2.gz SUZSPSRXCRSADV-GMTAPVOTSA-N 2 0 223.320 0.420 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639026128 353285848 /nfs/dbraw/zinc/28/58/48/353285848.db2.gz XSZIJIUNLAFHQC-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)NCCCC[NH3+])CC1 ZINC000357826728 188239398 /nfs/dbraw/zinc/23/93/98/188239398.db2.gz YKWYTXMYIZYQEM-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000251728198 353287883 /nfs/dbraw/zinc/28/78/83/353287883.db2.gz CGQGCZVXCRJMTL-IJLUTSLNSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)(C[NH3+])NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000372118577 188249548 /nfs/dbraw/zinc/24/95/48/188249548.db2.gz KXTNJVGDYXKXJL-FGWVZKOKSA-N 2 0 239.363 0.761 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000121974787 188250121 /nfs/dbraw/zinc/25/01/21/188250121.db2.gz QHNQAGVUQHROHU-NWDGAFQWSA-N 2 0 241.379 0.783 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000378204994 188251855 /nfs/dbraw/zinc/25/18/55/188251855.db2.gz XIMOXKDZJLRSKC-UHFFFAOYSA-N 2 0 225.336 0.420 20 0 BCADRP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251834213 353292724 /nfs/dbraw/zinc/29/27/24/353292724.db2.gz NQBDEPUFWOLEAX-GRYCIOLGSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)C[C@@H](CNC(=O)C[C@@H](C)[NH3+])[NH+](C)C ZINC000040831333 188256129 /nfs/dbraw/zinc/25/61/29/188256129.db2.gz BKVNOBQHCPRTRO-MNOVXSKESA-N 2 0 229.368 0.816 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000044798052 188258219 /nfs/dbraw/zinc/25/82/19/188258219.db2.gz TVWKGXFDJUHLIJ-NSHDSACASA-N 2 0 243.395 0.921 20 0 BCADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1([NH3+])CC1 ZINC000251944269 353293946 /nfs/dbraw/zinc/29/39/46/353293946.db2.gz ZVOCTAMAILZKJN-UWVGGRQHSA-N 2 0 223.320 0.173 20 0 BCADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1([NH3+])CC1 ZINC000251944272 353294005 /nfs/dbraw/zinc/29/40/05/353294005.db2.gz ZVOCTAMAILZKJN-ZJUUUORDSA-N 2 0 223.320 0.173 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1CC[C@@H]([NH3+])CC1 ZINC000639030214 353295184 /nfs/dbraw/zinc/29/51/84/353295184.db2.gz RLLPNJAEHNCPQX-FIQHERPVSA-N 2 0 239.363 0.890 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726755 188258372 /nfs/dbraw/zinc/25/83/72/188258372.db2.gz XIXZOYXWRJCXHL-JQWIXIFHSA-N 2 0 239.363 0.713 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000252440145 353299892 /nfs/dbraw/zinc/29/98/92/353299892.db2.gz XNDBNJDIBYVZHK-QJPTWQEYSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)([NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000040924971 188292569 /nfs/dbraw/zinc/29/25/69/188292569.db2.gz HJUFRMUKEODIDO-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000040673668 188292640 /nfs/dbraw/zinc/29/26/40/188292640.db2.gz ASYUBAGSSHUXMH-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000639033336 353304701 /nfs/dbraw/zinc/30/47/01/353304701.db2.gz LKGSBWUDJPBSSM-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000627075876 363215290 /nfs/dbraw/zinc/21/52/90/363215290.db2.gz PJYYPSXKHFHRMO-MXWKQRLJSA-N 2 0 240.351 0.178 20 0 BCADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COC)C1 ZINC000563710520 353336130 /nfs/dbraw/zinc/33/61/30/353336130.db2.gz ZDBBOQGQOSPDMQ-RYUDHWBXSA-N 2 0 230.352 0.315 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000627076063 363215710 /nfs/dbraw/zinc/21/57/10/363215710.db2.gz SSRGYXNJFRCTEK-GARJFASQSA-N 2 0 240.351 0.178 20 0 BCADRP CC(C)[NH+]1CCC([NH2+]CC(C)(C)C(N)=O)CC1 ZINC000227877680 188330658 /nfs/dbraw/zinc/33/06/58/188330658.db2.gz KEKPVIAGJKTYSG-UHFFFAOYSA-N 2 0 241.379 0.960 20 0 BCADRP CN1CC[C@](O)(C[NH2+]CCC2CCOCC2)C1 ZINC000639049236 353343449 /nfs/dbraw/zinc/34/34/49/353343449.db2.gz LJISYSXSXFRGJV-ZDUSSCGKSA-N 2 0 242.363 0.459 20 0 BCADRP CN1CC[C@@](O)(C[NH2+]CCC2CCOCC2)C1 ZINC000639049235 353343536 /nfs/dbraw/zinc/34/35/36/353343536.db2.gz LJISYSXSXFRGJV-CYBMUJFWSA-N 2 0 242.363 0.459 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000627077425 363218396 /nfs/dbraw/zinc/21/83/96/363218396.db2.gz BYHCPHGGBKZIDM-MNOVXSKESA-N 2 0 242.367 0.494 20 0 BCADRP CC(C)C[C@H](C[NH2+][C@H](C)CC(N)=O)N(C)C ZINC000336682943 188342006 /nfs/dbraw/zinc/34/20/06/188342006.db2.gz SDRGVAYOHRZBOS-GHMZBOCLSA-N 2 0 229.368 0.816 20 0 BCADRP OC1(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000085283270 538116413 /nfs/dbraw/zinc/11/64/13/538116413.db2.gz MTTRUJGSUFTGNJ-QWRGUYRKSA-N 2 0 210.321 0.443 20 0 BCADRP CC(C)[C@H](CCO)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000310120319 188348118 /nfs/dbraw/zinc/34/81/18/188348118.db2.gz DLSKYBWBKXYZQF-STQMWFEESA-N 2 0 244.379 0.438 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000364991148 188354076 /nfs/dbraw/zinc/35/40/76/188354076.db2.gz YFSZXVXATLVWDQ-SRVKXCTJSA-N 2 0 239.363 0.522 20 0 BCADRP CC(=O)NCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000121377856 188355270 /nfs/dbraw/zinc/35/52/70/188355270.db2.gz IOCYJJCHHDZSMR-NTZNESFSSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627079003 363223359 /nfs/dbraw/zinc/22/33/59/363223359.db2.gz UBDTZVWGLRXCGA-GMTAPVOTSA-N 2 0 240.351 0.165 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000165602386 353404577 /nfs/dbraw/zinc/40/45/77/353404577.db2.gz WXHYUKAJSTZIJI-NEPJUHHUSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627081856 363228101 /nfs/dbraw/zinc/22/81/01/363228101.db2.gz UQQVHFQTZGLLGO-UTLUCORTSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000572485135 324126496 /nfs/dbraw/zinc/12/64/96/324126496.db2.gz IVBBBSDDIDWUTG-NGZCFLSTSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000340155002 188386132 /nfs/dbraw/zinc/38/61/32/188386132.db2.gz NJVKIUUZVAZQRF-WOPDTQHZSA-N 2 0 241.379 0.803 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726673 188396900 /nfs/dbraw/zinc/39/69/00/188396900.db2.gz LXPFDWQIWWBAST-KOLCDFICSA-N 2 0 225.336 0.323 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000040467836 188397060 /nfs/dbraw/zinc/39/70/60/188397060.db2.gz UENIESDXHFWBSB-RYUDHWBXSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)C[C@H](CNC(=O)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000040831234 188397102 /nfs/dbraw/zinc/39/71/02/188397102.db2.gz VJRSWMSLFTUGKH-VXGBXAGGSA-N 2 0 241.379 0.831 20 0 BCADRP COCC[N@H+](C)CCCN[C@H]1C[NH+](C)C[C@H]1C ZINC000343301767 353467301 /nfs/dbraw/zinc/46/73/01/353467301.db2.gz JFKLYYRADOPARY-OLZOCXBDSA-N 2 0 243.395 0.494 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000192098263 353542167 /nfs/dbraw/zinc/54/21/67/353542167.db2.gz UFTBTDXPTRRSOQ-SDDRHHMPSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000193309884 353590899 /nfs/dbraw/zinc/59/08/99/353590899.db2.gz NKQBHHFIDNAJBQ-ZJUUUORDSA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@]1(C(=O)NC[C@H]2CCC[N@@H+]2C)CCC[NH2+]1 ZINC000231786588 353655275 /nfs/dbraw/zinc/65/52/75/353655275.db2.gz DOHPQRTUZYBHEC-DGCLKSJQSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000195161369 353730345 /nfs/dbraw/zinc/73/03/45/353730345.db2.gz LKXQVZZCFGWZCB-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000627098977 363256839 /nfs/dbraw/zinc/25/68/39/363256839.db2.gz ZOUWWUIQVWWTSI-AATLWQCWSA-N 2 0 228.340 0.162 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627097341 363258618 /nfs/dbraw/zinc/25/86/18/363258618.db2.gz HFUOKNHQQMEVFW-KXUCPTDWSA-N 2 0 228.340 0.163 20 0 BCADRP CC[C@@H](C(=O)NCC1=CC[N@H+](C)CC1)[NH+](C)C ZINC000343331863 353744895 /nfs/dbraw/zinc/74/48/95/353744895.db2.gz FTLQRUWYIWZYAS-LBPRGKRZSA-N 2 0 239.363 0.705 20 0 BCADRP C[C@@H]1CN(C(=O)C2(C[NH3+])CCCC2)C[C@@H](C)[NH2+]1 ZINC000153439129 363261761 /nfs/dbraw/zinc/26/17/61/363261761.db2.gz XSLWQRZCMCTVCU-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000627103985 363263110 /nfs/dbraw/zinc/26/31/10/363263110.db2.gz YNLWYPTZLXYCTG-LNFKQOIKSA-N 2 0 240.351 0.163 20 0 BCADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000178408418 366122545 /nfs/dbraw/zinc/12/25/45/366122545.db2.gz LGTYHQVYMJTAJC-MNOVXSKESA-N 2 0 225.336 0.244 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000343442086 353889286 /nfs/dbraw/zinc/88/92/86/353889286.db2.gz RMBWKUFHDRSXQH-HBNTYKKESA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000627106292 363265466 /nfs/dbraw/zinc/26/54/66/363265466.db2.gz HPADQQAILPHSMJ-CHWFTXMASA-N 2 0 242.367 0.552 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627106897 363265715 /nfs/dbraw/zinc/26/57/15/363265715.db2.gz MVJRNCWUAJMSDX-DOLQZWNJSA-N 2 0 228.340 0.162 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)NCC1CCC(C[NH3+])CC1 ZINC000343590471 353941650 /nfs/dbraw/zinc/94/16/50/353941650.db2.gz HXKVXYKNIBSACX-HTAVTVPLSA-N 2 0 241.379 0.995 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000343660210 353943198 /nfs/dbraw/zinc/94/31/98/353943198.db2.gz LWIZWXRTVUGVAI-FOGDFJRCSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]C[C@H](C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000178454364 366126422 /nfs/dbraw/zinc/12/64/22/366126422.db2.gz QMLHQFXUVKTPHK-RYUDHWBXSA-N 2 0 233.315 0.207 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000343466942 353898699 /nfs/dbraw/zinc/89/86/99/353898699.db2.gz WDCRTVMRLSQLHX-AXFHLTTASA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000343466947 353898816 /nfs/dbraw/zinc/89/88/16/353898816.db2.gz WDCRTVMRLSQLHX-HBNTYKKESA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000343468491 353899008 /nfs/dbraw/zinc/89/90/08/353899008.db2.gz DPTLWSZXCVIINR-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000343468494 353899444 /nfs/dbraw/zinc/89/94/44/353899444.db2.gz DPTLWSZXCVIINR-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)CCC[NH2+]1 ZINC000343687682 353964288 /nfs/dbraw/zinc/96/42/88/353964288.db2.gz RZJLHORQNFJZQD-CKYFFXLPSA-N 2 0 225.336 0.467 20 0 BCADRP CN(CCC[NH+]1CCCC1)C(=O)C[NH+](C)C ZINC000343745123 353971044 /nfs/dbraw/zinc/97/10/44/353971044.db2.gz CRJZQPUKBZXDSL-UHFFFAOYSA-N 2 0 227.352 0.492 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000366844076 353983708 /nfs/dbraw/zinc/98/37/08/353983708.db2.gz MRWCWPGFTVPIMW-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)CC1CC[NH2+]CC1 ZINC000343642501 353951783 /nfs/dbraw/zinc/95/17/83/353951783.db2.gz OXLFBGYEUTUOIP-MWLCHTKSSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000343648314 353953690 /nfs/dbraw/zinc/95/36/90/353953690.db2.gz VNHLPWCEGAGZJG-XZUYRWCXSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)(C[NH3+])NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627126118 363294503 /nfs/dbraw/zinc/29/45/03/363294503.db2.gz JVVWXYMZIOFIRL-VIFPVBQESA-N 2 0 240.351 0.308 20 0 BCADRP CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000343844063 354019837 /nfs/dbraw/zinc/01/98/37/354019837.db2.gz DHPSJLFNNWMIQB-GFCCVEGCSA-N 2 0 239.363 0.635 20 0 BCADRP [NH3+]C1(c2noc(CNC3CC3)n2)CCC1 ZINC000390218601 354053915 /nfs/dbraw/zinc/05/39/15/354053915.db2.gz YFBJZLMTPIENJJ-UHFFFAOYSA-N 2 0 208.265 0.660 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C[C@@H](C)[NH3+] ZINC000230711850 363321093 /nfs/dbraw/zinc/32/10/93/363321093.db2.gz FJMHZZLLIBRRKX-SNVBAGLBSA-N 2 0 215.341 0.524 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+](CC)CC1 ZINC000038098267 358484687 /nfs/dbraw/zinc/48/46/87/358484687.db2.gz PSVQBWZUMVWJLV-PWSUYJOCSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000449702299 202005394 /nfs/dbraw/zinc/00/53/94/202005394.db2.gz DMCSCSSNKXSNSM-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449747343 202018632 /nfs/dbraw/zinc/01/86/32/202018632.db2.gz IXAMBANNOFQVFK-KKOKHZNYSA-N 2 0 237.347 0.195 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000334583864 354205482 /nfs/dbraw/zinc/20/54/82/354205482.db2.gz SOEMOJRDHJFJNP-RKDXNWHRSA-N 2 0 247.289 0.242 20 0 BCADRP FC1(F)CNCC[C@@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000334615525 354301506 /nfs/dbraw/zinc/30/15/06/354301506.db2.gz KHLKOOGNCZCFLW-SECBINFHSA-N 2 0 233.306 0.573 20 0 BCADRP [NH3+][C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)C1CCC1 ZINC000578011013 366177017 /nfs/dbraw/zinc/17/70/17/366177017.db2.gz LZQMALJYFFRFDD-GXSJLCMTSA-N 2 0 225.336 0.230 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000578014497 366181031 /nfs/dbraw/zinc/18/10/31/366181031.db2.gz OOLWAVXOQFJDDX-QWRGUYRKSA-N 2 0 249.358 0.914 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000578014498 366181329 /nfs/dbraw/zinc/18/13/29/366181329.db2.gz OOLWAVXOQFJDDX-WDEREUQCSA-N 2 0 249.358 0.914 20 0 BCADRP CN(C(=O)C1(C[NH3+])CCCC1)[C@H]1CC[NH2+]C1 ZINC000179064578 366202973 /nfs/dbraw/zinc/20/29/73/366202973.db2.gz FOFBBIQLMGAGFS-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP O=C1[C@@H](N2CCC[NH2+]CC2)CCN1C1CC1 ZINC000334660240 354459346 /nfs/dbraw/zinc/45/93/46/354459346.db2.gz GBBHHYROHYYBGC-NSHDSACASA-N 2 0 223.320 0.045 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)CCC[NH3+] ZINC000578070900 366218827 /nfs/dbraw/zinc/21/88/27/366218827.db2.gz QEJUEZDKUBETNG-IVZWLZJFSA-N 2 0 202.298 0.117 20 0 BCADRP C[C@@H]1C[NH2+]CCN1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000578070832 366218912 /nfs/dbraw/zinc/21/89/12/366218912.db2.gz MJWDEWKAMPDUIE-UPJWGTAASA-N 2 0 239.363 0.143 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CC(F)F)C1CC1 ZINC000345690769 354732719 /nfs/dbraw/zinc/73/27/19/354732719.db2.gz KXXBQJZZBMZNCM-RKDXNWHRSA-N 2 0 249.305 0.425 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])CC(F)F)C1CC1 ZINC000345690767 354733027 /nfs/dbraw/zinc/73/30/27/354733027.db2.gz KXXBQJZZBMZNCM-DTWKUNHWSA-N 2 0 249.305 0.425 20 0 BCADRP C[NH2+]CCC[NH+]1CCC([C@@H](C)O)CC1 ZINC000234391926 363421240 /nfs/dbraw/zinc/42/12/40/363421240.db2.gz CQYUUYPNDZNQGA-SNVBAGLBSA-N 2 0 200.326 0.689 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449750836 202021256 /nfs/dbraw/zinc/02/12/56/202021256.db2.gz WTPASDNGZHJORG-RKDXNWHRSA-N 2 0 213.325 0.371 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449750226 202021072 /nfs/dbraw/zinc/02/10/72/202021072.db2.gz IBQJKFUFVUEMEG-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000366951163 355004581 /nfs/dbraw/zinc/00/45/81/355004581.db2.gz IXPLICHYRLZBID-DCAQKATOSA-N 2 0 243.326 0.144 20 0 BCADRP CN(C)c1ncc(C[NH+]2CCC(C[NH3+])CC2)cn1 ZINC000346683077 355010725 /nfs/dbraw/zinc/01/07/25/355010725.db2.gz FQDYYDNWJAKRRR-UHFFFAOYSA-N 2 0 249.362 0.713 20 0 BCADRP CC[C@H](NC[C@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000530227748 324547638 /nfs/dbraw/zinc/54/76/38/324547638.db2.gz ZSIQFJPHDFOTSX-SRVKXCTJSA-N 2 0 227.352 0.095 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(Cc2cnc(N(C)C)nc2)C1 ZINC000346693023 355076338 /nfs/dbraw/zinc/07/63/38/355076338.db2.gz KJPMDRYGEWXMFM-PWSUYJOCSA-N 2 0 249.362 0.712 20 0 BCADRP CN(C(=O)[C@H]1CC[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000335186436 355084526 /nfs/dbraw/zinc/08/45/26/355084526.db2.gz ZHWILIZYODGHEC-GHMZBOCLSA-N 2 0 223.320 0.043 20 0 BCADRP COC(=O)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346825143 355126526 /nfs/dbraw/zinc/12/65/26/355126526.db2.gz LHXPAWLNTGZNDV-LLVKDONJSA-N 2 0 240.347 0.871 20 0 BCADRP COC(=O)[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346835822 355131441 /nfs/dbraw/zinc/13/14/41/355131441.db2.gz OENFHLQAOLKLIA-NEPJUHHUSA-N 2 0 240.347 0.871 20 0 BCADRP COC(=O)[C@@]1(C)CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346971116 355207485 /nfs/dbraw/zinc/20/74/85/355207485.db2.gz KMIUFNPIPYKPTI-AAEUAGOBSA-N 2 0 240.347 0.871 20 0 BCADRP COC(=O)[C@]1(C)CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346971117 355207592 /nfs/dbraw/zinc/20/75/92/355207592.db2.gz KMIUFNPIPYKPTI-DGCLKSJQSA-N 2 0 240.347 0.871 20 0 BCADRP COC[C@](C)(CCO)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000346982281 355184641 /nfs/dbraw/zinc/18/46/41/355184641.db2.gz NWDSKDODARMEJO-RYUDHWBXSA-N 2 0 230.352 0.363 20 0 BCADRP COC[C@@](C)(CCO)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000346982282 355184708 /nfs/dbraw/zinc/18/47/08/355184708.db2.gz NWDSKDODARMEJO-VXGBXAGGSA-N 2 0 230.352 0.363 20 0 BCADRP CC(C)([NH3+])CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335258163 355195917 /nfs/dbraw/zinc/19/59/17/355195917.db2.gz SRZOLVFCBDBXHU-PHIMTYICSA-N 2 0 211.353 0.655 20 0 BCADRP C[C@H]1CN(Cc2cnc(N(C)C)nc2)CC[C@@H]1[NH3+] ZINC000347003705 355200680 /nfs/dbraw/zinc/20/06/80/355200680.db2.gz LRDPTQROINLHLB-JQWIXIFHSA-N 2 0 249.362 0.712 20 0 BCADRP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113512342 355248451 /nfs/dbraw/zinc/24/84/51/355248451.db2.gz HRDOBUXIRUCKIB-OLZOCXBDSA-N 2 0 244.379 0.656 20 0 BCADRP CNC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516237 355234043 /nfs/dbraw/zinc/23/40/43/355234043.db2.gz LSHJEPWZEVYLHD-SNVBAGLBSA-N 2 0 213.325 0.006 20 0 BCADRP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000347611545 355234748 /nfs/dbraw/zinc/23/47/48/355234748.db2.gz PRKHKORBSJOKIM-GRYCIOLGSA-N 2 0 237.347 0.101 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000335288093 355258359 /nfs/dbraw/zinc/25/83/59/355258359.db2.gz LAGCQBROKFVYKJ-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCNC2=O)CC[N@@H+]1C ZINC000639259624 355309895 /nfs/dbraw/zinc/30/98/95/355309895.db2.gz BTANNCDYEMHTRC-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000583502553 355331826 /nfs/dbraw/zinc/33/18/26/355331826.db2.gz UXETWNLHXNSOAJ-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000211760384 355359438 /nfs/dbraw/zinc/35/94/38/355359438.db2.gz JRUABEXCBREGFR-WDEREUQCSA-N 2 0 227.352 0.380 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000335789062 355439916 /nfs/dbraw/zinc/43/99/16/355439916.db2.gz CETUZRXWEZFWKG-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH3+])[NH+](C)C ZINC000349950914 355534441 /nfs/dbraw/zinc/53/44/41/355534441.db2.gz KQGABVQDCRJQBE-VHSXEESVSA-N 2 0 215.341 0.426 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH3+])[NH+](C)C ZINC000349950913 355534570 /nfs/dbraw/zinc/53/45/70/355534570.db2.gz KQGABVQDCRJQBE-UWVGGRQHSA-N 2 0 215.341 0.426 20 0 BCADRP Cn1nncc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350148414 355615582 /nfs/dbraw/zinc/61/55/82/355615582.db2.gz RDORYBWTDSIRLV-UHFFFAOYSA-N 2 0 237.351 0.589 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC(C)(C)CC[NH3+] ZINC000582182608 355650997 /nfs/dbraw/zinc/65/09/97/355650997.db2.gz LVYJLKZNVGYMET-MRVPVSSYSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000417886837 355632134 /nfs/dbraw/zinc/63/21/34/355632134.db2.gz ZGUDSWHAQZDEOW-QXEWZRGKSA-N 2 0 240.351 0.116 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)CC[NH2+]C1CC1 ZINC000582190907 355700220 /nfs/dbraw/zinc/70/02/20/355700220.db2.gz IBKCAAZUVJTNFS-LLVKDONJSA-N 2 0 225.336 0.339 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000417284978 191784952 /nfs/dbraw/zinc/78/49/52/191784952.db2.gz KUNOOZNLAPPUAP-MNOVXSKESA-N 2 0 242.367 0.363 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C2(C)C[NH2+]C2)C1 ZINC000399146679 355769060 /nfs/dbraw/zinc/76/90/60/355769060.db2.gz FABGSVIRLACLBH-JTQLQIEISA-N 2 0 225.336 0.054 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000417317704 191792104 /nfs/dbraw/zinc/79/21/04/191792104.db2.gz JOFULTPWQHSXHN-ZJUUUORDSA-N 2 0 230.356 0.363 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000417318078 191792301 /nfs/dbraw/zinc/79/23/01/191792301.db2.gz KTNRMOZULYZCMO-GHMZBOCLSA-N 2 0 242.367 0.378 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417449553 191844953 /nfs/dbraw/zinc/84/49/53/191844953.db2.gz YCIVKVGEPPCEAZ-DCAQKATOSA-N 2 0 244.383 0.752 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC(C)(C)CC[NH3+] ZINC000584349492 355859113 /nfs/dbraw/zinc/85/91/13/355859113.db2.gz WXDOHSPHYZGIBI-DTWKUNHWSA-N 2 0 230.356 0.539 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000583614172 355830566 /nfs/dbraw/zinc/83/05/66/355830566.db2.gz FSNKGGYUUKWPOZ-IVZWLZJFSA-N 2 0 227.352 0.474 20 0 BCADRP NC(=O)CC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000043493619 181219231 /nfs/dbraw/zinc/21/92/31/181219231.db2.gz YNRTYXYXXSHOPF-GFCCVEGCSA-N 2 0 239.363 0.573 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000583631928 355941469 /nfs/dbraw/zinc/94/14/69/355941469.db2.gz IAWZNRUYPUFDGQ-RQJHMYQMSA-N 2 0 239.241 0.134 20 0 BCADRP CC[N@H+](CCNC(=O)C[C@H]1CCC[NH2+]1)C1CC1 ZINC000167207790 355977035 /nfs/dbraw/zinc/97/70/35/355977035.db2.gz VLKAKVDPHBDXEF-LLVKDONJSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000167400036 355987746 /nfs/dbraw/zinc/98/77/46/355987746.db2.gz XYNALZIXCXKFBT-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP CN(CC[NH3+])C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000417821088 191930300 /nfs/dbraw/zinc/93/03/00/191930300.db2.gz DHKMISVJSPFCIP-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000417824523 191931409 /nfs/dbraw/zinc/93/14/09/191931409.db2.gz ABJROFFHYHKJSK-MNOVXSKESA-N 2 0 227.352 0.413 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000417828625 191932453 /nfs/dbraw/zinc/93/24/53/191932453.db2.gz FQWAZZHIRCIPBR-KCJUWKMLSA-N 2 0 225.336 0.323 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000417845585 191935818 /nfs/dbraw/zinc/93/58/18/191935818.db2.gz SDUGERDXLZDUKM-VIFPVBQESA-N 2 0 215.341 0.476 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000417846872 191937581 /nfs/dbraw/zinc/93/75/81/191937581.db2.gz UGALMNPSQHWPQC-UTUOFQBUSA-N 2 0 241.379 0.947 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000583640980 355946876 /nfs/dbraw/zinc/94/68/76/355946876.db2.gz AIWMRGFVJHFQJW-LNFKQOIKSA-N 2 0 214.309 0.260 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000167198565 355968735 /nfs/dbraw/zinc/96/87/35/355968735.db2.gz UOOUDDNTGMASSD-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000617551739 356108227 /nfs/dbraw/zinc/10/82/27/356108227.db2.gz YHDRZQGIYSGOQP-NEPJUHHUSA-N 2 0 239.363 0.491 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC1(C)CC[NH2+]CC1 ZINC000335911607 356125467 /nfs/dbraw/zinc/12/54/67/356125467.db2.gz RCHTZGMKGKYSHY-WDEREUQCSA-N 2 0 239.363 0.633 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351745963 356079418 /nfs/dbraw/zinc/07/94/18/356079418.db2.gz DESLHMPHWOMHPE-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH2+]C ZINC000236825645 363459230 /nfs/dbraw/zinc/45/92/30/363459230.db2.gz OQJPNVZWFPXKID-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC000351861581 356099787 /nfs/dbraw/zinc/09/97/87/356099787.db2.gz KSPBIAGIJBQJNN-QWRGUYRKSA-N 2 0 225.336 0.278 20 0 BCADRP [NH3+]CCCNC(=O)NCC1([NH3+])CCCCCC1 ZINC000418282297 192014080 /nfs/dbraw/zinc/01/40/80/192014080.db2.gz GZVJACPSUBJRFO-UHFFFAOYSA-N 2 0 242.367 0.686 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)NC[C@H](C)[NH+](C)C ZINC000418267804 192009778 /nfs/dbraw/zinc/00/97/78/192009778.db2.gz WTCHPNBKBMMYTL-ZJUUUORDSA-N 2 0 230.356 0.091 20 0 BCADRP C[NH2+]CCCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000418277952 192012555 /nfs/dbraw/zinc/01/25/55/192012555.db2.gz KAYKYQHEHJEIGV-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCC[NH3+])C1 ZINC000418296973 192020006 /nfs/dbraw/zinc/02/00/06/192020006.db2.gz MQNMRQGCIAVVBM-JTQLQIEISA-N 2 0 228.340 0.071 20 0 BCADRP [NH3+]CCNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418299350 192020702 /nfs/dbraw/zinc/02/07/02/192020702.db2.gz SHJBHTFSXZZVJP-SNVBAGLBSA-N 2 0 228.340 0.152 20 0 BCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCC[NH3+] ZINC000418306685 192020848 /nfs/dbraw/zinc/02/08/48/192020848.db2.gz BQDLDJUBIPACOA-NSHDSACASA-N 2 0 242.367 0.318 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000418310901 192021779 /nfs/dbraw/zinc/02/17/79/192021779.db2.gz QBIOYGAALXEKLY-JTQLQIEISA-N 2 0 230.356 0.269 20 0 BCADRP C[NH2+]CCCNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000418312689 192021881 /nfs/dbraw/zinc/02/18/81/192021881.db2.gz UMANZHSHQVZBCV-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP CC[NH2+]CCNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000418315707 192022669 /nfs/dbraw/zinc/02/26/69/192022669.db2.gz IHCULXVSLINGPW-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP CC[NH2+]CCNC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000418313538 192022740 /nfs/dbraw/zinc/02/27/40/192022740.db2.gz CFDMPTQDORQJNH-QWRGUYRKSA-N 2 0 242.367 0.365 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418314659 192022836 /nfs/dbraw/zinc/02/28/36/192022836.db2.gz SUPXFBDOCRTLRC-UHFFFAOYSA-N 2 0 228.340 0.071 20 0 BCADRP CC[NH2+]CCNC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000418313539 192022944 /nfs/dbraw/zinc/02/29/44/192022944.db2.gz CFDMPTQDORQJNH-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP CC[NH2+]CCNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000418313536 192023097 /nfs/dbraw/zinc/02/30/97/192023097.db2.gz CFDMPTQDORQJNH-GHMZBOCLSA-N 2 0 242.367 0.365 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418314068 192023252 /nfs/dbraw/zinc/02/32/52/192023252.db2.gz DBQHCNIDGKNHTR-ZJUUUORDSA-N 2 0 228.340 0.165 20 0 BCADRP CC[C@H](C)[NH+]1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418317057 192023616 /nfs/dbraw/zinc/02/36/16/192023616.db2.gz XXYSBSKKJIVFNJ-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP [NH3+]C[C@@H](NC(=O)NCCC[NH2+]C1CC1)C1CC1 ZINC000418287557 192015015 /nfs/dbraw/zinc/01/50/15/192015015.db2.gz KQMZLHARAUNIQA-LLVKDONJSA-N 2 0 240.351 0.165 20 0 BCADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCC[NH3+] ZINC000418291515 192016798 /nfs/dbraw/zinc/01/67/98/192016798.db2.gz AAOKAJZMCPHPAX-JTQLQIEISA-N 2 0 228.340 0.071 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000331922742 356205093 /nfs/dbraw/zinc/20/50/93/356205093.db2.gz VJWSLMOMPGDWJS-LLVKDONJSA-N 2 0 242.367 0.318 20 0 BCADRP C[C@@H]1OCC[C@@H]1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000639457754 356243032 /nfs/dbraw/zinc/24/30/32/356243032.db2.gz XKGBHIXTPOEVAX-USZNOCQGSA-N 2 0 210.321 0.563 20 0 BCADRP O=c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc[nH]1 ZINC000639457270 356243109 /nfs/dbraw/zinc/24/31/09/356243109.db2.gz RQPVTINRNMWFPZ-QWRGUYRKSA-N 2 0 219.288 0.438 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000617760941 356323685 /nfs/dbraw/zinc/32/36/85/356323685.db2.gz JVPZQWNXVRKCGK-IJLUTSLNSA-N 2 0 241.379 0.783 20 0 BCADRP CCOC(=O)CC[NH+]1CCC(C[NH2+]C)CC1 ZINC000420296154 192204411 /nfs/dbraw/zinc/20/44/11/192204411.db2.gz PZEQTXKLQYEZNV-UHFFFAOYSA-N 2 0 228.336 0.871 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000420297960 192205155 /nfs/dbraw/zinc/20/51/55/192205155.db2.gz ZGXVKPYQMJDBKA-NXEZZACHSA-N 2 0 214.309 0.609 20 0 BCADRP CC[C@H](C(N)=O)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420320687 192195280 /nfs/dbraw/zinc/19/52/80/192195280.db2.gz UMIDFQKTANSIGI-NWDGAFQWSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H](C(N)=O)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420320684 192196225 /nfs/dbraw/zinc/19/62/25/192196225.db2.gz UMIDFQKTANSIGI-NEPJUHHUSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000420286245 192200223 /nfs/dbraw/zinc/20/02/23/192200223.db2.gz FZXZBTDZAHZKQQ-ZDUSSCGKSA-N 3 0 242.411 0.197 20 0 BCADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000617752378 356311404 /nfs/dbraw/zinc/31/14/04/356311404.db2.gz MVTNLYLTGSLJDX-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000617752643 356311667 /nfs/dbraw/zinc/31/16/67/356311667.db2.gz RGLIXDKYQPWZAH-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC000617754382 356313264 /nfs/dbraw/zinc/31/32/64/356313264.db2.gz VZVSBVHXNBALJD-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@@H](C(=O)NCC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000617755117 356313380 /nfs/dbraw/zinc/31/33/80/356313380.db2.gz IFIGXACUMZBHMT-QWRGUYRKSA-N 2 0 229.368 0.783 20 0 BCADRP CC[N@H+](CC(=O)NCC[C@@H](C)[NH+](C)C)C1CC1 ZINC000617755968 356316754 /nfs/dbraw/zinc/31/67/54/356316754.db2.gz ZLUPHQDHVPYKLI-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+][C@@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000420286843 192202185 /nfs/dbraw/zinc/20/21/85/192202185.db2.gz FUMKVGHKZUHOHD-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420292647 192203199 /nfs/dbraw/zinc/20/31/99/192203199.db2.gz PTVGENXVUHWYOO-NEPJUHHUSA-N 3 0 211.353 0.670 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338208 192215472 /nfs/dbraw/zinc/21/54/72/192215472.db2.gz XNGFBNQYWAVMRA-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP CCOC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420299640 192208045 /nfs/dbraw/zinc/20/80/45/192208045.db2.gz BDTDYRDENMTVOI-SDDRHHMPSA-N 2 0 240.347 0.999 20 0 BCADRP CC(C)[C@@H]1C(=O)NCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420307584 192208614 /nfs/dbraw/zinc/20/86/14/192208614.db2.gz RLSDGOVOUSEVFN-NWDGAFQWSA-N 2 0 239.363 0.442 20 0 BCADRP CCOC(=O)CCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000420306967 192209567 /nfs/dbraw/zinc/20/95/67/192209567.db2.gz ICQZWVMYLQPKMN-TXEJJXNPSA-N 2 0 240.347 0.871 20 0 BCADRP C[C@@H]1[C@H](C)NCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420313191 192210576 /nfs/dbraw/zinc/21/05/76/192210576.db2.gz PIKDTOJHKRQKTK-TUAOUCFPSA-N 2 0 211.353 0.668 20 0 BCADRP CCCCCNC(=O)CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000420308626 192211012 /nfs/dbraw/zinc/21/10/12/192211012.db2.gz DAQHXNWZTIYRLR-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1NCC[N@H+](CC[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000420313189 192211613 /nfs/dbraw/zinc/21/16/13/192211613.db2.gz PIKDTOJHKRQKTK-SRVKXCTJSA-N 2 0 211.353 0.668 20 0 BCADRP CC(C)OC(=O)CC[NH2+]CC1([NH3+])CCC1 ZINC000420316464 192212041 /nfs/dbraw/zinc/21/20/41/192212041.db2.gz YFAPNXQBJDRZDI-UHFFFAOYSA-N 2 0 214.309 0.799 20 0 BCADRP COC(=O)[C@@H](C)C[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420367400 192226094 /nfs/dbraw/zinc/22/60/94/192226094.db2.gz VRFIRTJHBBFRMM-WDEREUQCSA-N 2 0 228.336 0.727 20 0 BCADRP C[NH2+]CCC[NH+]1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000420367362 192226332 /nfs/dbraw/zinc/22/63/32/192226332.db2.gz VOHVMWNRVPCHSI-LLVKDONJSA-N 2 0 240.347 0.871 20 0 BCADRP C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000420369783 192226927 /nfs/dbraw/zinc/22/69/27/192226927.db2.gz OMUSSEIZLJKAHE-NQBHXWOUSA-N 2 0 225.380 0.962 20 0 BCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420321698 192228069 /nfs/dbraw/zinc/22/80/69/192228069.db2.gz RKLHCFYLRXMXFM-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP COC(=O)CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420322631 192228296 /nfs/dbraw/zinc/22/82/96/192228296.db2.gz WXUBKNBKVSOZQD-GFCCVEGCSA-N 2 0 240.347 0.871 20 0 BCADRP CC[N@H+](CCn1ccnc1C)C[C@@H](C)O ZINC000352193742 134098043 /nfs/dbraw/zinc/09/80/43/134098043.db2.gz FLKWXAHGPXWVFD-SNVBAGLBSA-N 2 0 211.309 0.894 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000420361161 192222199 /nfs/dbraw/zinc/22/21/99/192222199.db2.gz MUHGSLAJCNTOEP-CYBMUJFWSA-N 2 0 242.363 0.710 20 0 BCADRP CCC[C@H]1C(=O)NCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420360741 192222462 /nfs/dbraw/zinc/22/24/62/192222462.db2.gz MCVGGNLAFJMUNF-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP COC(=O)[C@@H](C)C[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420367399 192225200 /nfs/dbraw/zinc/22/52/00/192225200.db2.gz VRFIRTJHBBFRMM-QWRGUYRKSA-N 2 0 228.336 0.727 20 0 BCADRP C[NH2+]CCC[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000420380071 192234104 /nfs/dbraw/zinc/23/41/04/192234104.db2.gz BRUPWULHKJDVBU-GFCCVEGCSA-N 2 0 229.368 0.248 20 0 BCADRP CCC(CC)(C[NH2+]C[C@@H](C)[NH3+])C(=O)OC ZINC000420381568 192234463 /nfs/dbraw/zinc/23/44/63/192234463.db2.gz XZMFOFLJWSHOJO-SECBINFHSA-N 2 0 216.325 0.903 20 0 BCADRP CNC(=O)[C@@H]([NH2+]CCC1CC[NH2+]CC1)C(C)C ZINC000420399768 192238046 /nfs/dbraw/zinc/23/80/46/192238046.db2.gz ICZGUKLFXBYGPB-LBPRGKRZSA-N 2 0 241.379 0.736 20 0 BCADRP [NH3+]CCOCCN1C[C@H]([NH3+])Cc2ccccc21 ZINC000420412120 192239654 /nfs/dbraw/zinc/23/96/54/192239654.db2.gz YISRIOSZHAKASA-GFCCVEGCSA-N 2 0 235.331 0.352 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420418598 192240900 /nfs/dbraw/zinc/24/09/00/192240900.db2.gz XAHWVMOAWHTMNA-WDEREUQCSA-N 2 0 228.336 0.856 20 0 BCADRP [NH3+]CCOCCN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000420412178 192241368 /nfs/dbraw/zinc/24/13/68/192241368.db2.gz SEWXZSJRQIUQTB-CQSZACIVSA-N 2 0 249.358 0.608 20 0 BCADRP C[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000420415819 192241475 /nfs/dbraw/zinc/24/14/75/192241475.db2.gz VIKCKHBHBULERH-AGIUHOORSA-N 3 0 225.380 0.903 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)C(C)(C)[NH3+])CC1 ZINC000040922301 358504967 /nfs/dbraw/zinc/50/49/67/358504967.db2.gz AESOKBRCRTVYEQ-UHFFFAOYSA-N 2 0 227.352 0.713 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000019412290 356483453 /nfs/dbraw/zinc/48/34/53/356483453.db2.gz JYPQBQPHHUQSRH-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP NC(=O)[C@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000051919248 181279414 /nfs/dbraw/zinc/27/94/14/181279414.db2.gz GWGBYWACNLWZSG-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP CC[C@H](N[C@@H]1CC[N@H+](CC)C[C@H]1C)C(=O)NC ZINC000449780774 202035022 /nfs/dbraw/zinc/03/50/22/202035022.db2.gz VOZHCVBSFJVVSS-GRYCIOLGSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H](CNC(=O)C[NH+](C)C)C[NH+]1CCCC1 ZINC000171385470 366284727 /nfs/dbraw/zinc/28/47/27/366284727.db2.gz IFCYJDCJJYISPC-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP CN(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[C@@H](C[NH3+])C1CC1 ZINC000578131582 366293349 /nfs/dbraw/zinc/29/33/49/366293349.db2.gz IQXXSQPDRVEASY-GMXVVIOVSA-N 2 0 237.347 0.182 20 0 BCADRP Cc1ccc(C[NH2+][C@H]2CN(C)C[C@H]2C)c(=O)n1C ZINC000336215205 134136342 /nfs/dbraw/zinc/13/63/42/134136342.db2.gz GCDVVVNERSQFKR-MFKMUULPSA-N 2 0 249.358 0.733 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)NC(C)(C)CC[NH3+])C[NH2+]1 ZINC000627208567 363504706 /nfs/dbraw/zinc/50/47/06/363504706.db2.gz AUBWBGHVVCJTLH-NXEZZACHSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)N(C)CC(C)(C)[NH3+])C[NH2+]1 ZINC000627210184 363505100 /nfs/dbraw/zinc/50/51/00/363505100.db2.gz NHSJOEDGRWNITO-UWVGGRQHSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)N(C)C2CC([NH3+])C2)C[NH2+]1 ZINC000627209510 363505314 /nfs/dbraw/zinc/50/53/14/363505314.db2.gz GAUYNDAMOZFDRN-BZCXBAJXSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)N2CCC([NH3+])CC2)C[NH2+]1 ZINC000627207943 363505386 /nfs/dbraw/zinc/50/53/86/363505386.db2.gz UVVCZTAXYZBMGM-GXSJLCMTSA-N 2 0 240.351 0.260 20 0 BCADRP C[NH+](C)CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000193364370 538468611 /nfs/dbraw/zinc/46/86/11/538468611.db2.gz VXKHVGBFKSLKHE-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000167607541 134153049 /nfs/dbraw/zinc/15/30/49/134153049.db2.gz ARZUJHBUGDKXMT-AGIUHOORSA-N 2 0 242.363 0.410 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000627226538 363554965 /nfs/dbraw/zinc/55/49/65/363554965.db2.gz NCHFJLYKVQCHFM-MNOVXSKESA-N 2 0 240.351 0.071 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632874082 356659485 /nfs/dbraw/zinc/65/94/85/356659485.db2.gz DDTIRRCAGVRGBS-YFKTTZPYSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH+](C)C[C@@]1(O)CCCN(Cc2c[nH]cn2)C1 ZINC000639760851 356676089 /nfs/dbraw/zinc/67/60/89/356676089.db2.gz BKKFNCFZVKDHKQ-LBPRGKRZSA-N 2 0 238.335 0.298 20 0 BCADRP CCOCCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762931 356687898 /nfs/dbraw/zinc/68/78/98/356687898.db2.gz PIHFUHLCBWQGBP-CYBMUJFWSA-N 2 0 244.379 0.802 20 0 BCADRP C[C@@H](O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335627 356722658 /nfs/dbraw/zinc/72/26/58/356722658.db2.gz WCSXWLPRYVEPJA-ZJUUUORDSA-N 2 0 200.326 0.830 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]CCOCCO)CC1(C)C ZINC000623340466 356739166 /nfs/dbraw/zinc/73/91/66/356739166.db2.gz JDHDDWYAMPGENB-NSHDSACASA-N 2 0 230.352 0.458 20 0 BCADRP C[N@@H+]1CC[C@@H]([NH2+]CCOCCO)CC1(C)C ZINC000623340465 356739340 /nfs/dbraw/zinc/73/93/40/356739340.db2.gz JDHDDWYAMPGENB-LLVKDONJSA-N 2 0 230.352 0.458 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000354574510 356740844 /nfs/dbraw/zinc/74/08/44/356740844.db2.gz GYHKJHGXKHWBOL-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP CC(=O)NCCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623346766 356756917 /nfs/dbraw/zinc/75/69/17/356756917.db2.gz BIGUGFXXVANEHX-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP CC(=O)NCCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623346767 356756964 /nfs/dbraw/zinc/75/69/64/356756964.db2.gz BIGUGFXXVANEHX-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000423170538 192605130 /nfs/dbraw/zinc/60/51/30/192605130.db2.gz YCTIKTOPZKPHSW-QCNOEVLYSA-N 2 0 239.363 0.761 20 0 BCADRP CC[NH+]1CCC(NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000358252848 356864930 /nfs/dbraw/zinc/86/49/30/356864930.db2.gz OAJPWQCCFJKRGX-CYBMUJFWSA-N 2 0 241.379 0.127 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360815668 356912213 /nfs/dbraw/zinc/91/22/13/356912213.db2.gz DSKRARZLMGAGKN-YPMHNXCESA-N 2 0 239.363 0.716 20 0 BCADRP CNC(=O)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623378114 356900048 /nfs/dbraw/zinc/90/00/48/356900048.db2.gz TUZWWZITQNURJP-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H](N[C@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423196661 192622683 /nfs/dbraw/zinc/62/26/83/192622683.db2.gz VVMIDILZHOLHJZ-GRYCIOLGSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000423203882 192625834 /nfs/dbraw/zinc/62/58/34/192625834.db2.gz AKGZWHBZUBLEMQ-IACUBPJLSA-N 2 0 233.359 0.896 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCOCC2)CC[N@@H+]1C ZINC000156229401 538774442 /nfs/dbraw/zinc/77/44/42/538774442.db2.gz VGABKGIPKLHBBG-NEPJUHHUSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@H]1C[C@H](NC(=O)CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000582300229 357036717 /nfs/dbraw/zinc/03/67/17/357036717.db2.gz MNKOCCWQMZEBAU-CMPLNLGQSA-N 2 0 239.363 0.633 20 0 BCADRP CN(CCC[NH3+])CC(=O)NCc1ccccc1 ZINC000020475767 357009524 /nfs/dbraw/zinc/00/95/24/357009524.db2.gz QTYHGMYJCNTIHW-UHFFFAOYSA-N 2 0 235.331 0.583 20 0 BCADRP CC(C)([NH3+])CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000582365510 357112128 /nfs/dbraw/zinc/11/21/28/357112128.db2.gz YACOXOAXTOSEKV-UHFFFAOYSA-N 2 0 242.367 0.494 20 0 BCADRP C[C@@H](NC[C@H]1CCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000423241699 192647610 /nfs/dbraw/zinc/64/76/10/192647610.db2.gz VFTRVJCMGOJYQE-UTUOFQBUSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000389989143 357078206 /nfs/dbraw/zinc/07/82/06/357078206.db2.gz NKEDBFIUPWQWTJ-QMMMGPOBSA-N 2 0 201.314 0.025 20 0 BCADRP CC[C@@H](NC[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423229351 192641778 /nfs/dbraw/zinc/64/17/78/192641778.db2.gz AYWPATMZDPNPCM-TUAOUCFPSA-N 2 0 211.353 0.859 20 0 BCADRP [NH3+]CCCCC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000582419818 357143274 /nfs/dbraw/zinc/14/32/74/357143274.db2.gz JCEUINROOYMGPY-MRVPVSSYSA-N 2 0 235.278 0.229 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CC(F)F ZINC000582421250 357144062 /nfs/dbraw/zinc/14/40/62/357144062.db2.gz LQWFHNXDXKGARC-JGVFFNPUSA-N 2 0 237.294 0.459 20 0 BCADRP Cc1n[nH]c(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000392383410 357151101 /nfs/dbraw/zinc/15/11/01/357151101.db2.gz HCUPISVDBBGHCA-GXSJLCMTSA-N 2 0 237.351 0.585 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH2+][C@H]1C)C(C)C ZINC000583690074 357121182 /nfs/dbraw/zinc/12/11/82/357121182.db2.gz CCILBFTZRXJUSY-RYUDHWBXSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC(=O)NCC(F)F)C1 ZINC000393688000 357292469 /nfs/dbraw/zinc/29/24/69/357292469.db2.gz IHVWGSZCXQLHAM-JGVFFNPUSA-N 2 0 235.278 0.227 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC1=CC[NH2+]CC1 ZINC000393773010 357298599 /nfs/dbraw/zinc/29/85/99/357298599.db2.gz KMYARMCDAWNWCQ-IUCAKERBSA-N 2 0 211.309 0.006 20 0 BCADRP Cn1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000393870563 357304209 /nfs/dbraw/zinc/30/42/09/357304209.db2.gz XWHBTDGWCCYATF-TXEJJXNPSA-N 2 0 234.347 0.852 20 0 BCADRP C[C@]1(C(=O)NCC[N@H+]2CC=CCC2)CC[NH2+]C1 ZINC000392847895 357245194 /nfs/dbraw/zinc/24/51/94/357245194.db2.gz ZFPJRGLOSMZKHN-ZDUSSCGKSA-N 2 0 237.347 0.364 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000392877637 357260861 /nfs/dbraw/zinc/26/08/61/357260861.db2.gz MVEFROQSZZVHQU-SNVBAGLBSA-N 2 0 211.309 0.102 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC[N@H+]1CC=CCC1 ZINC000392893976 357262640 /nfs/dbraw/zinc/26/26/40/357262640.db2.gz BOBVVALFGWBJLG-LLVKDONJSA-N 2 0 225.336 0.220 20 0 BCADRP [NH3+]CCCCC(=O)NCC[N@H+]1CC=CCC1 ZINC000392974195 357266618 /nfs/dbraw/zinc/26/66/18/357266618.db2.gz WIMZVDQABHLCSK-UHFFFAOYSA-N 2 0 225.336 0.494 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000582724573 357372327 /nfs/dbraw/zinc/37/23/27/357372327.db2.gz BYQBFOKACGQMLK-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000582724673 357372613 /nfs/dbraw/zinc/37/26/13/357372613.db2.gz CGHSZIONICYXPM-MXWKQRLJSA-N 2 0 227.352 0.413 20 0 BCADRP CN(CCC[NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000584362538 357328246 /nfs/dbraw/zinc/32/82/46/357328246.db2.gz GKFWIVJIDUPJIK-GFCCVEGCSA-N 2 0 242.367 0.366 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000582544378 357330660 /nfs/dbraw/zinc/33/06/60/357330660.db2.gz KASGXXOZCXIQPZ-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000582544375 357331161 /nfs/dbraw/zinc/33/11/61/357331161.db2.gz KASGXXOZCXIQPZ-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP Cc1nc(CNC[C@]2(O)CC[N@@H+](C)C2)[nH]c1C ZINC000582617870 357354346 /nfs/dbraw/zinc/35/43/46/357354346.db2.gz RGBCMGQNDSGDEW-GFCCVEGCSA-N 2 0 238.335 0.183 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]([NH3+])C1CCC1 ZINC000582667750 357358534 /nfs/dbraw/zinc/35/85/34/357358534.db2.gz ZYCXYINERFMSAW-OYNCUSHFSA-N 2 0 213.325 0.356 20 0 BCADRP C[C@@H](C[NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000582964315 357440972 /nfs/dbraw/zinc/44/09/72/357440972.db2.gz MRAZRRXTZSBUMY-ZETCQYMHSA-N 2 0 210.281 0.860 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000582785158 357392531 /nfs/dbraw/zinc/39/25/31/357392531.db2.gz XBSHLKYHGCFLEF-GBIKHYSHSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000582839321 357411849 /nfs/dbraw/zinc/41/18/49/357411849.db2.gz VTIXXRFLUBCHGS-ZYHUDNBSSA-N 3 0 211.353 0.716 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)C[NH2+]C1CC1 ZINC000582840108 357413181 /nfs/dbraw/zinc/41/31/81/357413181.db2.gz FNQSFSSTASCRIL-SNVBAGLBSA-N 2 0 225.336 0.243 20 0 BCADRP COCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000582851154 357419467 /nfs/dbraw/zinc/41/94/67/357419467.db2.gz JJLCNZHFVVVOLK-UHFFFAOYSA-N 2 0 230.352 0.458 20 0 BCADRP C[C@H]1C[C@H](NC(=O)CC[NH2+]C2CC2)CC[NH2+]1 ZINC000582857023 357421343 /nfs/dbraw/zinc/42/13/43/357421343.db2.gz WTFYMGSEALEUFQ-GXSJLCMTSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000582899945 357424748 /nfs/dbraw/zinc/42/47/48/357424748.db2.gz RZVOHZJINVSZCL-UZWSLXQKSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000582899946 357424806 /nfs/dbraw/zinc/42/48/06/357424806.db2.gz RZVOHZJINVSZCL-WGBDABJCSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000582903562 357427261 /nfs/dbraw/zinc/42/72/61/357427261.db2.gz IIBDUVFQYDIHLB-GARJFASQSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]C[C@@H]1CCC[N@H+](CCCN2CCOCC2)C1 ZINC000582907482 357433426 /nfs/dbraw/zinc/43/34/26/357433426.db2.gz IIGWPSCXTYTQHL-ZDUSSCGKSA-N 2 0 241.379 0.379 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000583024254 357452412 /nfs/dbraw/zinc/45/24/12/357452412.db2.gz ROBLEYROIKGUNM-ONGXEEELSA-N 2 0 239.363 0.631 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000583033381 357464390 /nfs/dbraw/zinc/46/43/90/357464390.db2.gz CEMSVAZXBQSMKJ-GXFFZTMASA-N 2 0 247.342 0.598 20 0 BCADRP CC1(NC(=O)c2coc(C[NH3+])c2)CC[NH2+]CC1 ZINC000583085265 357475072 /nfs/dbraw/zinc/47/50/72/357475072.db2.gz XXSCYEVIFGEHEV-UHFFFAOYSA-N 2 0 237.303 0.610 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000583143109 357492700 /nfs/dbraw/zinc/49/27/00/357492700.db2.gz VXZZTYSPTJPSME-VHSXEESVSA-N 2 0 225.336 0.359 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000583145743 357494865 /nfs/dbraw/zinc/49/48/65/357494865.db2.gz VIMFGBWBKMDVHD-QWRGUYRKSA-N 2 0 239.363 0.633 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C(C)(C)C[NH3+] ZINC000230705438 357572388 /nfs/dbraw/zinc/57/23/88/357572388.db2.gz KMCDFIJEXSPSLJ-UHFFFAOYSA-N 2 0 229.368 0.772 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000230711526 357573570 /nfs/dbraw/zinc/57/35/70/357573570.db2.gz SYBDUPYZDQDRSX-GHMZBOCLSA-N 2 0 229.368 0.770 20 0 BCADRP CCN(CCC[NH+](CC)CC)C(=O)C[NH2+]C ZINC000230712749 357573814 /nfs/dbraw/zinc/57/38/14/357573814.db2.gz CMHUJVZMDFHXFB-UHFFFAOYSA-N 2 0 229.368 0.786 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000230711534 357573867 /nfs/dbraw/zinc/57/38/67/357573867.db2.gz SYBDUPYZDQDRSX-MNOVXSKESA-N 2 0 229.368 0.770 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C[NH2+]CCOC ZINC000230711961 357573932 /nfs/dbraw/zinc/57/39/32/357573932.db2.gz MQQWZXODMFAKRL-UHFFFAOYSA-N 2 0 245.367 0.023 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188738974 357566880 /nfs/dbraw/zinc/56/68/80/357566880.db2.gz KGBQYCMPHWLIKQ-GARJFASQSA-N 2 0 243.326 0.287 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000397612435 357627791 /nfs/dbraw/zinc/62/77/91/357627791.db2.gz SAYRSBMBGMRBIR-RYUDHWBXSA-N 3 0 241.379 0.303 20 0 BCADRP CC[C@H](COC)[NH2+]CCOCC[NH+](C)C ZINC000231786922 357629050 /nfs/dbraw/zinc/62/90/50/357629050.db2.gz SUFJRGNGIDWLNJ-LLVKDONJSA-N 2 0 218.341 0.579 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000189013073 357600352 /nfs/dbraw/zinc/60/03/52/357600352.db2.gz NEESTKJRWVTVKA-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN(C)C2CC2)CS1 ZINC000397709618 357648101 /nfs/dbraw/zinc/64/81/01/357648101.db2.gz BTIBEWUQCNQDFT-JFGNBEQYSA-N 2 0 244.404 0.925 20 0 BCADRP C[C@@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)[C@H](C)[NH3+] ZINC000583262503 357749240 /nfs/dbraw/zinc/74/92/40/357749240.db2.gz HLVKSBVXNPWWBM-HOSYDEDBSA-N 2 0 235.331 0.408 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623415170 357762873 /nfs/dbraw/zinc/76/28/73/357762873.db2.gz BICUMAJUPILOCN-DGCLKSJQSA-N 2 0 244.379 0.846 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C[NH2+]C ZINC000086065014 357808240 /nfs/dbraw/zinc/80/82/40/357808240.db2.gz PKPCVGPWLQINQB-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@H](C)C[NH2+]C ZINC000086064931 357808417 /nfs/dbraw/zinc/80/84/17/357808417.db2.gz BQIVLRQDBZXFQR-NSHDSACASA-N 2 0 229.368 0.690 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000086068256 357815106 /nfs/dbraw/zinc/81/51/06/357815106.db2.gz LRARIBNKLKHSLX-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000086068856 357815995 /nfs/dbraw/zinc/81/59/95/357815995.db2.gz PSPWIKJLYQBVMW-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CCN1CCCCC1 ZINC000234717996 357819419 /nfs/dbraw/zinc/81/94/19/357819419.db2.gz AWCRQHVSGUKFDQ-CYBMUJFWSA-N 2 0 243.395 0.816 20 0 BCADRP Cc1nn(C)cc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168516052 134225371 /nfs/dbraw/zinc/22/53/71/134225371.db2.gz PQUZVNXHGPPKLN-KOLCDFICSA-N 2 0 222.336 0.898 20 0 BCADRP COCCCN(C)CC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192603220 357846201 /nfs/dbraw/zinc/84/62/01/357846201.db2.gz HAWHVUVASOZZGF-QWHCGFSZSA-N 2 0 244.379 0.969 20 0 BCADRP CC(C)([NH3+])CNC(=O)NCC1([NH3+])CCCC1 ZINC000659521926 491115308 /nfs/dbraw/zinc/11/53/08/491115308.db2.gz XRHRYSFTGVYNNQ-UHFFFAOYSA-N 2 0 228.340 0.294 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000399074933 357895110 /nfs/dbraw/zinc/89/51/10/357895110.db2.gz PGBXTAREBUBFHU-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000583320650 357902042 /nfs/dbraw/zinc/90/20/42/357902042.db2.gz GOLJYRUXFMTFFM-LPEHRKFASA-N 2 0 228.340 0.245 20 0 BCADRP CC1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[NH2+]C1 ZINC000399302252 357902151 /nfs/dbraw/zinc/90/21/51/357902151.db2.gz PGTWRLTVRWHYCK-LLVKDONJSA-N 2 0 237.347 0.293 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000583321411 357902827 /nfs/dbraw/zinc/90/28/27/357902827.db2.gz HIVYMYBCTHVSQL-SDDRHHMPSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+]CCC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000583322165 357903755 /nfs/dbraw/zinc/90/37/55/357903755.db2.gz WDCSESGFVNQUCB-NSHDSACASA-N 3 0 227.352 0.023 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000583751463 357934061 /nfs/dbraw/zinc/93/40/61/357934061.db2.gz YBRZSGRTLXEFNF-DMDPSCGWSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH+](C)C)CC2)C1 ZINC000583762643 357938618 /nfs/dbraw/zinc/93/86/18/357938618.db2.gz ASPHKOFVCWPSLN-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP COC[C@@H](O)C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000583807685 357954838 /nfs/dbraw/zinc/95/48/38/357954838.db2.gz WBRWSDDJMHZKDY-NWDGAFQWSA-N 2 0 246.395 0.950 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000584473253 357990353 /nfs/dbraw/zinc/99/03/53/357990353.db2.gz VHIMYNIOGKOSRX-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000584467732 357993328 /nfs/dbraw/zinc/99/33/28/357993328.db2.gz FDUKFAGIRNITET-UHFFFAOYSA-N 2 0 239.363 0.588 20 0 BCADRP C[C@@H]1C[C@@H]1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103211792 358012833 /nfs/dbraw/zinc/01/28/33/358012833.db2.gz ZFXMCWKMKBOGJH-NEPJUHHUSA-N 2 0 241.379 0.594 20 0 BCADRP C[C@@H]1C[C@H]1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103211796 358013327 /nfs/dbraw/zinc/01/33/27/358013327.db2.gz ZFXMCWKMKBOGJH-VXGBXAGGSA-N 2 0 241.379 0.594 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000219815604 358013598 /nfs/dbraw/zinc/01/35/98/358013598.db2.gz SJCAHVFPEPQXLA-AAEUAGOBSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C1([NH+](C)C)CC1 ZINC000613658383 363595010 /nfs/dbraw/zinc/59/50/10/363595010.db2.gz SVJAKVJPOOUWPG-GHMZBOCLSA-N 2 0 239.363 0.680 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037485370 358072687 /nfs/dbraw/zinc/07/26/87/358072687.db2.gz NYGZQEJURMCWQC-MWLCHTKSSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000036999122 358064176 /nfs/dbraw/zinc/06/41/76/358064176.db2.gz YTODLUAVJVWCBK-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C[NH3+] ZINC000037018561 358064282 /nfs/dbraw/zinc/06/42/82/358064282.db2.gz FPCDWXCEKQZWGB-UHFFFAOYSA-N 2 0 237.303 0.654 20 0 BCADRP CC[NH2+]CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000309582918 491120140 /nfs/dbraw/zinc/12/01/40/491120140.db2.gz RAAQHKPGHCDYNS-JTQLQIEISA-N 2 0 213.325 0.244 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000583871181 358068009 /nfs/dbraw/zinc/06/80/09/358068009.db2.gz QBZJOVQJNNAWJN-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP O=C([C@H]1CC[NH2+]C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000218260340 134252732 /nfs/dbraw/zinc/25/27/32/134252732.db2.gz CABVEDSRXGRLAV-NWDGAFQWSA-N 2 0 237.347 0.293 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000584599405 358104046 /nfs/dbraw/zinc/10/40/46/358104046.db2.gz YBIOCNMKZZQXET-XWIASGKRSA-N 2 0 237.347 0.324 20 0 BCADRP COC[C@](C)(O)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000584665370 358126977 /nfs/dbraw/zinc/12/69/77/358126977.db2.gz KCXVPOPUVSSQFP-IJLUTSLNSA-N 2 0 230.352 0.633 20 0 BCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC([NH+](C)C)C2)C1 ZINC000584789611 358179307 /nfs/dbraw/zinc/17/93/07/358179307.db2.gz ZNCXVEZKEUZIQU-SNVBAGLBSA-N 2 0 225.336 0.101 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000584790479 358179681 /nfs/dbraw/zinc/17/96/81/358179681.db2.gz OXEPFCSLLUPPHM-RYUDHWBXSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[C@@H](C)[NH3+])C1 ZINC000584833764 358196199 /nfs/dbraw/zinc/19/61/99/358196199.db2.gz NYTCLSZJVQIXIG-GMTAPVOTSA-N 2 0 227.352 0.426 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCCNC2=O)C1 ZINC000222935801 358216153 /nfs/dbraw/zinc/21/61/53/358216153.db2.gz RCJXWLXIKOHQNH-OUAUKWLOSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000223584684 358225650 /nfs/dbraw/zinc/22/56/50/358225650.db2.gz LIKSHQMZLVBYJP-HBNTYKKESA-N 2 0 200.326 0.687 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040624393 358244418 /nfs/dbraw/zinc/24/44/18/358244418.db2.gz RGDTWKDEEXGVPT-JTQLQIEISA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000653232631 491128507 /nfs/dbraw/zinc/12/85/07/491128507.db2.gz GLRSQOVRLCPKJW-AEJSXWLSSA-N 2 0 213.325 0.310 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])C(C)C ZINC000041680243 358333588 /nfs/dbraw/zinc/33/35/88/358333588.db2.gz RQQONUCZEUADRJ-NSHDSACASA-N 2 0 229.368 0.770 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000041680323 358333752 /nfs/dbraw/zinc/33/37/52/358333752.db2.gz CIYQNSCQFNFITB-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)CCC[NH3+] ZINC000041680292 358334129 /nfs/dbraw/zinc/33/41/29/358334129.db2.gz CQSZUBMDYKCLKC-UHFFFAOYSA-N 2 0 215.341 0.526 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CCC[NH2+]2)CC[N@@H+]1C ZINC000226869231 358345926 /nfs/dbraw/zinc/34/59/26/358345926.db2.gz ZZSZCJGJSKXNMZ-NQBHXWOUSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226869247 358346084 /nfs/dbraw/zinc/34/60/84/358346084.db2.gz LEAFDMPDRAXVEF-YFKTTZPYSA-N 2 0 239.363 0.583 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)NCCCC[NH3+])cc1 ZINC000228095078 358368268 /nfs/dbraw/zinc/36/82/68/358368268.db2.gz VMWDZLPUSQBGIK-LBPRGKRZSA-N 2 0 235.331 0.850 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000613661111 363607457 /nfs/dbraw/zinc/60/74/57/363607457.db2.gz SQENPHNNNAPWIX-UTUOFQBUSA-N 2 0 239.363 0.680 20 0 BCADRP C([C@H]1CCCOC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282298 134274841 /nfs/dbraw/zinc/27/48/41/134274841.db2.gz HDJHWINSFNOYIX-UTUOFQBUSA-N 2 0 210.321 0.564 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CCCC[NH3+] ZINC000227833428 358364229 /nfs/dbraw/zinc/36/42/29/358364229.db2.gz GOAQMIDBCPXMFT-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C[NH2+]C1CC1 ZINC000230711648 358410166 /nfs/dbraw/zinc/41/01/66/358410166.db2.gz OSEJJDGVRZXDGT-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C1CC[NH2+]CC1 ZINC000230711643 358410320 /nfs/dbraw/zinc/41/03/20/358410320.db2.gz ZSEDLCJMUHFJJC-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP O=C([C@H]1[NH2+]CCc2ccccc21)N1CC[NH2+]CC1 ZINC000043595192 358383494 /nfs/dbraw/zinc/38/34/94/358383494.db2.gz GZXIAFFFVGNIRC-ZDUSSCGKSA-N 2 0 245.326 0.305 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538882 358389476 /nfs/dbraw/zinc/38/94/76/358389476.db2.gz OPSVMRKQUWZLCQ-SRVKXCTJSA-N 2 0 241.379 0.818 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)CCC[NH3+])C1 ZINC000044538892 358389913 /nfs/dbraw/zinc/38/99/13/358389913.db2.gz QJVIIWQMZRPEDV-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044538951 358391029 /nfs/dbraw/zinc/39/10/29/358391029.db2.gz ORJBPYUBWUAQRZ-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000044538997 358391147 /nfs/dbraw/zinc/39/11/47/358391147.db2.gz CLNWRKSPKQQHNO-WDEREUQCSA-N 2 0 241.379 0.818 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C)C1CC1 ZINC000230191431 358396032 /nfs/dbraw/zinc/39/60/32/358396032.db2.gz IZGICFNSEFDINJ-ZYHUDNBSSA-N 2 0 239.363 0.585 20 0 BCADRP CN1CCC([NH2+]CCOCC[NH+](C)C)CC1 ZINC000219323607 134281239 /nfs/dbraw/zinc/28/12/39/134281239.db2.gz HJZSEYDDRHDHRH-UHFFFAOYSA-N 2 0 229.368 0.248 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)C[NH3+])C1 ZINC000045135575 358417973 /nfs/dbraw/zinc/41/79/73/358417973.db2.gz TYXWYLDIRDPVBW-WDEREUQCSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)CC[N@@H+]1C ZINC000219307129 134281474 /nfs/dbraw/zinc/28/14/74/134281474.db2.gz ABGZKIXVZNQCBF-STQMWFEESA-N 3 0 243.395 0.637 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726753 358553099 /nfs/dbraw/zinc/55/30/99/358553099.db2.gz XIXZOYXWRJCXHL-PWSUYJOCSA-N 2 0 239.363 0.713 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C[NH3+])C(C)C)C1 ZINC000044805834 358554380 /nfs/dbraw/zinc/55/43/80/358554380.db2.gz VPKIBRHVOYGNAQ-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000086270939 358566563 /nfs/dbraw/zinc/56/65/63/358566563.db2.gz NKXAOXKRVZWAIE-GXSJLCMTSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+](C)C1CC1 ZINC000086271920 358573741 /nfs/dbraw/zinc/57/37/41/358573741.db2.gz GFBFLVOYQARZMK-MWLCHTKSSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000129900601 358601529 /nfs/dbraw/zinc/60/15/29/358601529.db2.gz GCUIYVILHFUHFK-PWSUYJOCSA-N 2 0 225.336 0.102 20 0 BCADRP C[NH+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175444995 134287357 /nfs/dbraw/zinc/28/73/57/134287357.db2.gz FXQWUWOBTKAGCN-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC000131523299 358680983 /nfs/dbraw/zinc/68/09/83/358680983.db2.gz OWGYSJUTTMTBMG-LLVKDONJSA-N 2 0 239.363 0.764 20 0 BCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000131760098 358692601 /nfs/dbraw/zinc/69/26/01/358692601.db2.gz MDDLJZNTUSYXTG-VXGBXAGGSA-N 2 0 233.315 0.116 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)CC1CC[NH2+]CC1 ZINC000049559706 358695036 /nfs/dbraw/zinc/69/50/36/358695036.db2.gz PJCDZVZSDGHWTI-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000049559647 358695091 /nfs/dbraw/zinc/69/50/91/358695091.db2.gz VYWYJENXRJJBEP-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CCOC[C@H](C)[NH2+]C[C@@H]1CN(C)CCN1C ZINC000133451598 358755528 /nfs/dbraw/zinc/75/55/28/358755528.db2.gz MEEJOZSAYKENNF-NWDGAFQWSA-N 2 0 229.368 0.247 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)C ZINC000176372694 134291315 /nfs/dbraw/zinc/29/13/15/134291315.db2.gz NTTWDMRWUZMXEP-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)CCCC[NH3+])[C@H]1C ZINC000309456059 358708906 /nfs/dbraw/zinc/70/89/06/358708906.db2.gz NSNFBNFADZMLJX-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COC)C1 ZINC000177033597 134293913 /nfs/dbraw/zinc/29/39/13/134293913.db2.gz XRQJSPVWVNZYLG-OLZOCXBDSA-N 2 0 244.379 0.657 20 0 BCADRP OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134871831 358808502 /nfs/dbraw/zinc/80/85/02/358808502.db2.gz HBLRCYCVDMDGMP-YPMHNXCESA-N 2 0 224.348 0.927 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000564083622 358849587 /nfs/dbraw/zinc/84/95/87/358849587.db2.gz YCUHHACSGUTEOU-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@H]1CCN(C(=O)c2c[nH+]ccc2N)C[C@@H]1C[NH3+] ZINC000564083757 358849784 /nfs/dbraw/zinc/84/97/84/358849784.db2.gz BHMYFJCCWSGLSG-UWVGGRQHSA-N 2 0 248.330 0.551 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000054129048 358854235 /nfs/dbraw/zinc/85/42/35/358854235.db2.gz RKPAWRZABOQCIA-LLVKDONJSA-N 2 0 227.352 0.429 20 0 BCADRP COCC[N@H+](C)CCC[NH2+]C1CSC1 ZINC000308605222 491137363 /nfs/dbraw/zinc/13/73/63/491137363.db2.gz PKKNVBVEBQIYIA-UHFFFAOYSA-N 2 0 218.366 0.660 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000578324092 366508145 /nfs/dbraw/zinc/50/81/45/366508145.db2.gz PBOMWFUJTCGXSU-YPMHNXCESA-N 2 0 237.347 0.196 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000578321514 366509860 /nfs/dbraw/zinc/50/98/60/366509860.db2.gz GFDPAQQRJZAQLZ-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP CN(C)C(=O)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086403308 358967617 /nfs/dbraw/zinc/96/76/17/358967617.db2.gz GZQOVOLCUWRJMA-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP CS(=O)(=O)CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086403380 358967884 /nfs/dbraw/zinc/96/78/84/358967884.db2.gz HFGPNBVYGRZNFA-UWVGGRQHSA-N 2 0 234.365 0.281 20 0 BCADRP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000086403545 358967902 /nfs/dbraw/zinc/96/79/02/358967902.db2.gz GRGJWXODCCJOFC-GHMZBOCLSA-N 2 0 208.309 0.780 20 0 BCADRP C[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086404784 358968769 /nfs/dbraw/zinc/96/87/69/358968769.db2.gz FEZLVVSPIUOKEM-OUAUKWLOSA-N 2 0 200.326 0.864 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000059931444 358921440 /nfs/dbraw/zinc/92/14/40/358921440.db2.gz MQDDIDPOWSNXDI-KOLCDFICSA-N 2 0 227.352 0.570 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061645162 358936028 /nfs/dbraw/zinc/93/60/28/358936028.db2.gz KZVFOMIEACJHID-WDEREUQCSA-N 2 0 227.352 0.666 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061645160 358936703 /nfs/dbraw/zinc/93/67/03/358936703.db2.gz KZVFOMIEACJHID-GHMZBOCLSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623433055 358946579 /nfs/dbraw/zinc/94/65/79/358946579.db2.gz YJRDYOPIXZDDFC-UWVGGRQHSA-N 2 0 200.326 0.830 20 0 BCADRP COC(=O)CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000069627121 359030287 /nfs/dbraw/zinc/03/02/87/359030287.db2.gz JVJAXLCSKYHJNR-GHMZBOCLSA-N 2 0 228.336 0.999 20 0 BCADRP CC(C)C[C@@H](CNC1=[NH+]CCCN1)[NH+](C)C ZINC000066245051 359005412 /nfs/dbraw/zinc/00/54/12/359005412.db2.gz VITVBSHTBPZZJO-NSHDSACASA-N 2 0 226.368 0.902 20 0 BCADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COC)C1 ZINC000177838247 134303701 /nfs/dbraw/zinc/30/37/01/134303701.db2.gz WLHYWHWVEBRPEG-RYUDHWBXSA-N 2 0 230.352 0.267 20 0 BCADRP CS(=O)(=O)CCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070543156 359059672 /nfs/dbraw/zinc/05/96/72/359059672.db2.gz DIFQVULFAWDAPL-LLVKDONJSA-N 2 0 248.392 0.482 20 0 BCADRP Nc1cc(CN2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000246598582 359149937 /nfs/dbraw/zinc/14/99/37/359149937.db2.gz VPQMOBMMORXGDO-LBPRGKRZSA-N 2 0 232.331 0.944 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CCOCCOC)[C@@H](C)C1 ZINC000247117591 359214753 /nfs/dbraw/zinc/21/47/53/359214753.db2.gz QZJFFPBONKKYDV-STQMWFEESA-N 2 0 244.379 0.969 20 0 BCADRP CC[NH2+][C@H](C)CN[C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423403736 192744525 /nfs/dbraw/zinc/74/45/25/192744525.db2.gz ZLKMWRIXPDOICO-IJLUTSLNSA-N 2 0 229.368 0.341 20 0 BCADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)COC)C1 ZINC000076003903 359264153 /nfs/dbraw/zinc/26/41/53/359264153.db2.gz HGIMMUCQVWYMSN-STQMWFEESA-N 2 0 244.379 0.657 20 0 BCADRP CC(C)[C@@H](Cn1cccn1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423423931 192751260 /nfs/dbraw/zinc/75/12/60/192751260.db2.gz FAEOELBOUVGJRO-XQHKEYJVSA-N 2 0 234.347 0.715 20 0 BCADRP COCCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086723895 359370815 /nfs/dbraw/zinc/37/08/15/359370815.db2.gz WQEAQUDKYBQXEJ-UHFFFAOYSA-N 2 0 230.352 0.853 20 0 BCADRP CC[C@H](NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCC[NH2+]1 ZINC000423495729 192794282 /nfs/dbraw/zinc/79/42/82/192794282.db2.gz VCOBFOZVVOEGNA-AVGNSLFASA-N 2 0 241.379 0.485 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000574987674 359522861 /nfs/dbraw/zinc/52/28/61/359522861.db2.gz JSOLXCNKYBLZPS-ONGXEEELSA-N 2 0 227.352 0.476 20 0 BCADRP CC[C@H](NC[C@@H]1C[NH2+]CCN1C)[C@@H]1CCC[NH2+]1 ZINC000423498723 192795276 /nfs/dbraw/zinc/79/52/76/192795276.db2.gz BXBFWCFXCVFDBZ-AVGNSLFASA-N 2 0 240.395 0.010 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@H]1C ZINC000572406370 359490016 /nfs/dbraw/zinc/49/00/16/359490016.db2.gz QRZKJSNZGTXCHX-USZNOCQGSA-N 2 0 239.363 0.583 20 0 BCADRP COC[C@H](C)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000379529735 359536911 /nfs/dbraw/zinc/53/69/11/359536911.db2.gz IEBMLSOLHJNPML-GMTAPVOTSA-N 2 0 200.326 0.857 20 0 BCADRP CCN(C)C[C@@H](O)C[N@H+](C)C1CCC1 ZINC000379611734 359565966 /nfs/dbraw/zinc/56/59/66/359565966.db2.gz UUJJIAZQESKQSA-LLVKDONJSA-N 2 0 200.326 0.783 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)C1(C)C[NH2+]C1 ZINC000423674223 192821580 /nfs/dbraw/zinc/82/15/80/192821580.db2.gz ATLHNRQNZJARTP-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H](O)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000580431572 359542692 /nfs/dbraw/zinc/54/26/92/359542692.db2.gz REEUTEJLPKBRKU-RWMBFGLXSA-N 2 0 244.379 0.438 20 0 BCADRP C[NH+](C)C[C@@](C)(O)C[NH2+]CC1(C)CC1 ZINC000379586912 359560614 /nfs/dbraw/zinc/56/06/14/359560614.db2.gz RPFPORFUWAWZIO-NSHDSACASA-N 2 0 200.326 0.689 20 0 BCADRP COC(=O)CN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404333168 359578372 /nfs/dbraw/zinc/57/83/72/359578372.db2.gz ZWFLPRLQCZHXPP-VHSXEESVSA-N 2 0 214.309 0.609 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H]([NH3+])Cc2ccccc21)[C@H](C)[NH3+] ZINC000424078329 192860287 /nfs/dbraw/zinc/86/02/87/192860287.db2.gz QLBDXJMNKDRWKK-SCVCMEIPSA-N 2 0 247.342 0.886 20 0 BCADRP CS[C@H](C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000122019375 359676450 /nfs/dbraw/zinc/67/64/50/359676450.db2.gz FDDUINQHYDCEPG-GHMZBOCLSA-N 2 0 232.393 0.784 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000578356038 366536747 /nfs/dbraw/zinc/53/67/47/366536747.db2.gz REIYXMVCJDZYIS-GARJFASQSA-N 2 0 225.336 0.100 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)Cn2ccnc2)C1 ZINC000578409612 366558448 /nfs/dbraw/zinc/55/84/48/366558448.db2.gz HFGXENREWIOYHJ-NSHDSACASA-N 2 0 236.319 0.341 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]C ZINC000578442125 366569479 /nfs/dbraw/zinc/56/94/79/366569479.db2.gz YZTNCGWGKMDFLJ-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000087471626 366581316 /nfs/dbraw/zinc/58/13/16/366581316.db2.gz DUWSKAPJAJGPCR-NSHDSACASA-N 2 0 213.325 0.196 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000087471630 366581699 /nfs/dbraw/zinc/58/16/99/366581699.db2.gz UFOZNFPQMHUFAZ-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)[C@H](C)[NH3+] ZINC000578504869 366581837 /nfs/dbraw/zinc/58/18/37/366581837.db2.gz WMTDWAWVOGWJDC-VWYCJHECSA-N 2 0 227.352 0.380 20 0 BCADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(=O)NC ZINC000578522769 366589289 /nfs/dbraw/zinc/58/92/89/366589289.db2.gz WQJBOHXNGXJCLS-AEJSXWLSSA-N 2 0 213.325 0.371 20 0 BCADRP CC[N@H+](CCOCC[NH3+])Cc1ccccn1 ZINC000087331911 359907637 /nfs/dbraw/zinc/90/76/37/359907637.db2.gz ONJIYCCHYWVFPI-UHFFFAOYSA-N 2 0 223.320 0.879 20 0 BCADRP CC(C)(C[NH3+])C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000578639426 366615429 /nfs/dbraw/zinc/61/54/29/366615429.db2.gz OUTYCLNHHJMPMV-VHSXEESVSA-N 2 0 227.352 0.605 20 0 BCADRP CCOCC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000578641412 366616543 /nfs/dbraw/zinc/61/65/43/366616543.db2.gz ZEMXANIWIOGZJA-AGIUHOORSA-N 2 0 244.379 0.846 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]([NH3+])C(C)C ZINC000087471732 366597159 /nfs/dbraw/zinc/59/71/59/366597159.db2.gz HIVSOOINKJPYQN-VIFPVBQESA-N 2 0 201.314 0.038 20 0 BCADRP C[NH2+]CCCN(C)C(=O)CC[C@@H](C)[NH3+] ZINC000087471766 366597504 /nfs/dbraw/zinc/59/75/04/366597504.db2.gz FOCDBLLCBHIERE-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP C[C@H]1CN(c2ncnc(N)c2Cl)CC[C@H]1[NH3+] ZINC000578610671 366607277 /nfs/dbraw/zinc/60/72/77/366607277.db2.gz RMCFKVMLTZQQPI-NKWVEPMBSA-N 2 0 241.726 0.886 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCC[N@H+](C)C1 ZINC000578617011 366608637 /nfs/dbraw/zinc/60/86/37/366608637.db2.gz HYOOUIUCQDUYOS-JHJVBQTASA-N 2 0 225.380 0.916 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000088091210 359937085 /nfs/dbraw/zinc/93/70/85/359937085.db2.gz ZCHJCGYUQQDBTN-DCAQKATOSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H]([NH3+])CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000578749801 366637971 /nfs/dbraw/zinc/63/79/71/366637971.db2.gz ITSQNUMQDMPOCN-TUAOUCFPSA-N 2 0 211.353 0.940 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH3+])[C@@H]2C1 ZINC000578766545 366643183 /nfs/dbraw/zinc/64/31/83/366643183.db2.gz ZLBLTTYXOMFAOG-VXGBXAGGSA-N 2 0 239.363 0.668 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C[NH2+]C3CC3)[C@@H]2C1 ZINC000578766058 366644228 /nfs/dbraw/zinc/64/42/28/366644228.db2.gz BVGJGFRNMMTYGO-CMPLNLGQSA-N 2 0 237.347 0.291 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)NC1C[NH2+]C1 ZINC000578865176 366660529 /nfs/dbraw/zinc/66/05/29/366660529.db2.gz VOTJDPICHRNPEZ-JTQLQIEISA-N 2 0 240.351 0.036 20 0 BCADRP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000578867760 366661749 /nfs/dbraw/zinc/66/17/49/366661749.db2.gz BNZYRYJZMCYCCA-AGIUHOORSA-N 3 0 223.364 0.527 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)C1CC[NH2+]CC1)C1CC1 ZINC000578869554 366661818 /nfs/dbraw/zinc/66/18/18/366661818.db2.gz WCEVHJAULRTSLB-LBPRGKRZSA-N 2 0 225.336 0.230 20 0 BCADRP C[N@H+](CCNC(=O)N[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000612879842 360151980 /nfs/dbraw/zinc/15/19/80/360151980.db2.gz DMDBPDDLDNKJCX-GFCCVEGCSA-N 2 0 240.351 0.132 20 0 BCADRP C[NH+]1CCC(NC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000612861987 360127014 /nfs/dbraw/zinc/12/70/14/360127014.db2.gz DRBRBKSPVNDUNU-GFCCVEGCSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@]1(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000612925833 360196614 /nfs/dbraw/zinc/19/66/14/360196614.db2.gz ZNSPSOGOZKNFNL-FOGDFJRCSA-N 2 0 240.351 0.165 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612917672 360178001 /nfs/dbraw/zinc/17/80/01/360178001.db2.gz IELGLNPQFOGYPS-KOLCDFICSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@]1(NC(=O)N[C@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000612919955 360181115 /nfs/dbraw/zinc/18/11/15/360181115.db2.gz AVILIMBOZFZBMH-JQWIXIFHSA-N 2 0 240.351 0.180 20 0 BCADRP C[C@@]1(NC(=O)NCC[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000612914570 360188864 /nfs/dbraw/zinc/18/88/64/360188864.db2.gz MJWABEASXDONGO-CMPLNLGQSA-N 2 0 240.351 0.037 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626954527 360531037 /nfs/dbraw/zinc/53/10/37/360531037.db2.gz DYMZQSCPZPOBOM-OUAUKWLOSA-N 2 0 242.367 0.376 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000626921614 360504865 /nfs/dbraw/zinc/50/48/65/360504865.db2.gz NFHMMNXMBHGCOO-GXSJLCMTSA-N 2 0 240.351 0.130 20 0 BCADRP CC[NH+](CC)CCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626916777 360505030 /nfs/dbraw/zinc/50/50/30/360505030.db2.gz FTHKZXRZCKIKMZ-WDEREUQCSA-N 2 0 242.367 0.378 20 0 BCADRP CCN(CC[NH3+])C(=O)NCC[NH+](CC)CC ZINC000626916750 360505491 /nfs/dbraw/zinc/50/54/91/360505491.db2.gz FCKVIXWEAQGWJL-UHFFFAOYSA-N 2 0 230.356 0.318 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000628648146 360595305 /nfs/dbraw/zinc/59/53/05/360595305.db2.gz DPKXTAZHBUJZEK-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH+](C)CC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000628753954 360633069 /nfs/dbraw/zinc/63/30/69/360633069.db2.gz FKCSHOYUAHBNRR-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000153852459 360779578 /nfs/dbraw/zinc/77/95/78/360779578.db2.gz BUNMXHDBHUBUGT-IVZWLZJFSA-N 2 0 213.325 0.051 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000036999055 200685755 /nfs/dbraw/zinc/68/57/55/200685755.db2.gz JKKAVOQOJQJRRI-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@H](C)S1 ZINC000069908573 361001384 /nfs/dbraw/zinc/00/13/84/361001384.db2.gz CUTNXIGYHLSIFC-TXEJJXNPSA-N 2 0 243.420 0.717 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418419944 200841698 /nfs/dbraw/zinc/84/16/98/200841698.db2.gz ZVURQQWIYBVYMY-GHMZBOCLSA-N 2 0 244.383 0.642 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCOCCC[NH3+])CN1C1CC1 ZINC000629401589 361052032 /nfs/dbraw/zinc/05/20/32/361052032.db2.gz TXFQOLYWJWRCEJ-NEPJUHHUSA-N 2 0 241.379 0.567 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000629405817 361053819 /nfs/dbraw/zinc/05/38/19/361053819.db2.gz UIIWRYRTNMEJFJ-GHMZBOCLSA-N 2 0 216.325 0.380 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424164303 200872481 /nfs/dbraw/zinc/87/24/81/200872481.db2.gz CAFSQVROEKLYFF-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000629455874 361079629 /nfs/dbraw/zinc/07/96/29/361079629.db2.gz LFWMXKIJPYCUBU-UWVGGRQHSA-N 2 0 213.325 0.147 20 0 BCADRP C[C@H](NCC1([NH3+])CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000629518939 361119070 /nfs/dbraw/zinc/11/90/70/361119070.db2.gz CTOPUYNCZQMNNY-NWDGAFQWSA-N 2 0 241.379 0.615 20 0 BCADRP [NH3+]C[C@H]1CCCCN1CCOC1CCOCC1 ZINC000629507717 361102241 /nfs/dbraw/zinc/10/22/41/361102241.db2.gz IBGVPXXAXMNAFW-GFCCVEGCSA-N 2 0 242.363 0.995 20 0 BCADRP CCn1nncc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000629509491 361103234 /nfs/dbraw/zinc/10/32/34/361103234.db2.gz ABIGHJLRSNABRA-JTQLQIEISA-N 2 0 225.340 0.905 20 0 BCADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424198463 200886846 /nfs/dbraw/zinc/88/68/46/200886846.db2.gz PIWVFPQVPJISBA-FRRDWIJNSA-N 2 0 247.342 0.712 20 0 BCADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1NC[C@H]1CCC[N@@H+]1C ZINC000629519880 361120463 /nfs/dbraw/zinc/12/04/63/361120463.db2.gz RRVPKEYWBUVIMU-UMSGYPCISA-N 2 0 241.379 0.423 20 0 BCADRP C[N@H+](CCC[NH3+])CCOC1CCOCC1 ZINC000629515441 361114037 /nfs/dbraw/zinc/11/40/37/361114037.db2.gz TVABDSULGKJOMO-UHFFFAOYSA-N 2 0 216.325 0.463 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000629527600 361134123 /nfs/dbraw/zinc/13/41/23/361134123.db2.gz AAVWYDRVKKAFAY-FIQHERPVSA-N 2 0 211.353 0.986 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cn(C)nc1C ZINC000629528706 361136958 /nfs/dbraw/zinc/13/69/58/361136958.db2.gz HFLPKUMXYHODSQ-JTQLQIEISA-N 2 0 240.351 0.615 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000629528522 361137067 /nfs/dbraw/zinc/13/70/67/361137067.db2.gz BDOXWLTVDQFPKY-FIQHERPVSA-N 2 0 211.353 0.857 20 0 BCADRP CC[C@@H](COC)[NH2+]CCOCC[NH2+]C ZINC000629529188 361138042 /nfs/dbraw/zinc/13/80/42/361138042.db2.gz UUDQLELWONXCMF-JTQLQIEISA-N 2 0 204.314 0.237 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000629530496 361144410 /nfs/dbraw/zinc/14/44/10/361144410.db2.gz IGCSLIBUSQUQIS-GHMZBOCLSA-N 2 0 216.325 0.237 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccncn1 ZINC000629530904 361145737 /nfs/dbraw/zinc/14/57/37/361145737.db2.gz UVSPWTFCSCTCDA-JTQLQIEISA-N 2 0 224.308 0.363 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccncn1 ZINC000629530905 361145834 /nfs/dbraw/zinc/14/58/34/361145834.db2.gz UVSPWTFCSCTCDA-SNVBAGLBSA-N 2 0 224.308 0.363 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000629531745 361148752 /nfs/dbraw/zinc/14/87/52/361148752.db2.gz WOZQUZQVURDRLL-GMTAPVOTSA-N 2 0 200.326 0.857 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1COCCN1C ZINC000629532566 361153160 /nfs/dbraw/zinc/15/31/60/361153160.db2.gz HCWVWIQRZMTQHC-VXGBXAGGSA-N 2 0 229.368 0.424 20 0 BCADRP C[C@@H](NCC1([NH3+])CCOCC1)[C@H]1CCC[NH2+]1 ZINC000629521772 361122025 /nfs/dbraw/zinc/12/20/25/361122025.db2.gz UFNIGUUBPMTMSN-GHMZBOCLSA-N 2 0 227.352 0.224 20 0 BCADRP CC[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000629524357 361123534 /nfs/dbraw/zinc/12/35/34/361123534.db2.gz PIDOLUJTPYWHNA-NAKRPEOUSA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)CC[C@@H](CO)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000629523299 361124480 /nfs/dbraw/zinc/12/44/80/361124480.db2.gz LDJDFDLIRVHZPB-PWSUYJOCSA-N 2 0 214.353 0.981 20 0 BCADRP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158637105 361206128 /nfs/dbraw/zinc/20/61/28/361206128.db2.gz RNIOBQQSIHGYID-UTUOFQBUSA-N 2 0 212.337 0.974 20 0 BCADRP CC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158639150 361206370 /nfs/dbraw/zinc/20/63/70/361206370.db2.gz JLIZYVNVYCTDJS-VWYCJHECSA-N 2 0 200.326 0.830 20 0 BCADRP C[C@@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)[C@@H]1CCC[NH2+]1 ZINC000424382320 200927424 /nfs/dbraw/zinc/92/74/24/200927424.db2.gz SADYGJSRXQFUQZ-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)[C@H]1CCC[NH2+]1 ZINC000424382315 200927824 /nfs/dbraw/zinc/92/78/24/200927824.db2.gz SADYGJSRXQFUQZ-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]C1(C(=O)NCCC[NH+]2CCCCC2)CCC1 ZINC000147529652 181326230 /nfs/dbraw/zinc/32/62/30/181326230.db2.gz VEOFYOOSPVMNQB-UHFFFAOYSA-N 2 0 239.363 0.860 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000579107326 366707665 /nfs/dbraw/zinc/70/76/65/366707665.db2.gz HHNMCFFVWCMDRS-WCQGTBRESA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000579091096 366707760 /nfs/dbraw/zinc/70/77/60/366707760.db2.gz LXZQODFILNFOFG-NSHDSACASA-N 2 0 242.367 0.411 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000579007940 366694860 /nfs/dbraw/zinc/69/48/60/366694860.db2.gz HZELQYGZBOCTOA-JTQLQIEISA-N 2 0 235.331 0.760 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CCC[NH2+]CC2)CCCC1 ZINC000364158826 181327903 /nfs/dbraw/zinc/32/79/03/181327903.db2.gz FNAPFIWMJTYPQH-JTQLQIEISA-N 2 0 225.336 0.516 20 0 BCADRP CC[C@@H](C(=O)N1CCC[NH2+]CC1)[NH+](CC)CC ZINC000428423584 201015030 /nfs/dbraw/zinc/01/50/30/201015030.db2.gz PHUDRXJPEQWBHH-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C)C1)[NH+](CC)CC ZINC000428448339 201017770 /nfs/dbraw/zinc/01/77/70/201017770.db2.gz POWHPISUJQYZGR-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCCC[NH3+] ZINC000579227119 366738354 /nfs/dbraw/zinc/73/83/54/366738354.db2.gz MTZCMGMUJCVCRZ-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000579229570 366739365 /nfs/dbraw/zinc/73/93/65/366739365.db2.gz JBELVLOMCLUJIE-GMTAPVOTSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])CC(F)F ZINC000579228959 366739979 /nfs/dbraw/zinc/73/99/79/366739979.db2.gz SELHMWKVYDOOCH-BWZBUEFSSA-N 2 0 235.278 0.083 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])CC(F)F ZINC000579228961 366739997 /nfs/dbraw/zinc/73/99/97/366739997.db2.gz SELHMWKVYDOOCH-GJMOJQLCSA-N 2 0 235.278 0.083 20 0 BCADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000622044474 370677435 /nfs/dbraw/zinc/67/74/35/370677435.db2.gz HMXXYZBBUNHFIW-IRCOFANPSA-N 3 0 211.353 0.701 20 0 BCADRP C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000428952931 201051737 /nfs/dbraw/zinc/05/17/37/201051737.db2.gz NBJNNHLHQPBMBQ-OUAUKWLOSA-N 2 0 241.379 0.864 20 0 BCADRP [NH3+]C1(CNC(=O)C2([NH3+])CCCC2)CCC1 ZINC000309586915 181330677 /nfs/dbraw/zinc/33/06/77/181330677.db2.gz WCHADAWBCFOFFK-UHFFFAOYSA-N 2 0 211.309 0.256 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000429132791 201071913 /nfs/dbraw/zinc/07/19/13/201071913.db2.gz FMIUTMAJBGWRJN-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000428981508 201053878 /nfs/dbraw/zinc/05/38/78/201053878.db2.gz QQONYHHDGJDOCX-UTUOFQBUSA-N 2 0 239.363 0.633 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000429141564 201073421 /nfs/dbraw/zinc/07/34/21/201073421.db2.gz KOILLEFETFHLCS-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000429276830 201087694 /nfs/dbraw/zinc/08/76/94/201087694.db2.gz XJAKXUGINJGKQZ-LBPRGKRZSA-N 2 0 229.368 0.818 20 0 BCADRP C1=C(C[NH2+]C[C@@H]2CCC[NH2+]C2)COCC1 ZINC000379739469 361386778 /nfs/dbraw/zinc/38/67/78/361386778.db2.gz ZDYGONPWEVZLEK-LLVKDONJSA-N 2 0 210.321 0.922 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000429163558 201076332 /nfs/dbraw/zinc/07/63/32/201076332.db2.gz AFEBWDUHMUDGAK-OUAUKWLOSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@H]1C[NH3+] ZINC000429192413 201078701 /nfs/dbraw/zinc/07/87/01/201078701.db2.gz QZNCKIZSBMUCOV-KKOKHZNYSA-N 2 0 239.363 0.700 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC000429230872 201079812 /nfs/dbraw/zinc/07/98/12/201079812.db2.gz YMHDALBSVVSZGR-JTQLQIEISA-N 2 0 227.352 0.300 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000429239477 201082426 /nfs/dbraw/zinc/08/24/26/201082426.db2.gz QPVCEONDNUEIFP-SDDRHHMPSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H]([NH2+]CCOCCC[NH3+])c1cn[nH]c1 ZINC000629539238 361404622 /nfs/dbraw/zinc/40/46/22/361404622.db2.gz PAELJJWAQSSPIW-VIFPVBQESA-N 2 0 212.297 0.426 20 0 BCADRP C[C@H](Cc1cnccn1)[NH2+]CCOCCC[NH3+] ZINC000629539279 361404688 /nfs/dbraw/zinc/40/46/88/361404688.db2.gz PDFAEBKWUGNYCK-LLVKDONJSA-N 2 0 238.335 0.363 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000629539225 361405088 /nfs/dbraw/zinc/40/50/88/361405088.db2.gz PADIDZZLWMSGFV-RYUDHWBXSA-N 3 0 229.368 0.459 20 0 BCADRP C[C@@H]1CC[C@H](N[C@@H]2C[NH2+]CC[C@H]2C)C[NH2+]1 ZINC000629536169 361398704 /nfs/dbraw/zinc/39/87/04/361398704.db2.gz DWUZHMIKIUKVMY-WISYIIOYSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000579355336 366767722 /nfs/dbraw/zinc/76/77/22/366767722.db2.gz FSASBSPULWJEGN-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP COC[C@H]([NH2+]CCOCCC[NH3+])C(C)C ZINC000629536992 361400086 /nfs/dbraw/zinc/40/00/86/361400086.db2.gz IGFCJGCKOVMGFM-NSHDSACASA-N 2 0 218.341 0.612 20 0 BCADRP CCO[C@H](C[N@H+](C)C[C@H](O)C[NH3+])C1CC1 ZINC000629537316 361400934 /nfs/dbraw/zinc/40/09/34/361400934.db2.gz ORBOFOIFAYACIW-GHMZBOCLSA-N 2 0 216.325 0.053 20 0 BCADRP C[C@H]([NH2+]CCOCCC[NH3+])[C@H]1CCCOC1 ZINC000629537215 361401280 /nfs/dbraw/zinc/40/12/80/361401280.db2.gz JBPMNTIYZOPYKY-RYUDHWBXSA-N 2 0 230.352 0.757 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000429324021 201101377 /nfs/dbraw/zinc/10/13/77/201101377.db2.gz YYJCXJMKNVZBQM-OUAUKWLOSA-N 2 0 227.352 0.665 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@@H]1CCn2ccnc21 ZINC000629538394 361403773 /nfs/dbraw/zinc/40/37/73/361403773.db2.gz MLZPVBYLVRDJQS-SNVBAGLBSA-N 2 0 224.308 0.283 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629543426 361412087 /nfs/dbraw/zinc/41/20/87/361412087.db2.gz BECVGFBLDWRCDW-UPJWGTAASA-N 2 0 241.379 0.303 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCOCCC[NH3+])[C@@H](C)O1 ZINC000629540008 361412966 /nfs/dbraw/zinc/41/29/66/361412966.db2.gz RTEUXINAUAISBK-MXWKQRLJSA-N 2 0 216.325 0.507 20 0 BCADRP C[C@H](Cn1cccn1)[NH2+]CCOCCC[NH3+] ZINC000629541060 361415175 /nfs/dbraw/zinc/41/51/75/361415175.db2.gz XBIHQGCKHHDZFH-LLVKDONJSA-N 2 0 226.324 0.227 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1COCCN1 ZINC000629534817 361408837 /nfs/dbraw/zinc/40/88/37/361408837.db2.gz BJQKJPGKEMRASY-GHMZBOCLSA-N 2 0 215.341 0.082 20 0 BCADRP CCO[C@H](C[NH+]1CCC(O)(C[NH3+])CC1)C1CC1 ZINC000629543113 361421924 /nfs/dbraw/zinc/42/19/24/361421924.db2.gz TVZLEZIKMKLFTE-GFCCVEGCSA-N 2 0 242.363 0.587 20 0 BCADRP CCN(CCO)CC[NH2+][C@@H](COC)C1CC1 ZINC000309907630 491158074 /nfs/dbraw/zinc/15/80/74/491158074.db2.gz LDJODKNXKFJROD-LBPRGKRZSA-N 2 0 230.352 0.315 20 0 BCADRP CC(C)[C@H](C(=O)N(C)CC[NH3+])[C@@H](C)[NH3+] ZINC000579472920 366821376 /nfs/dbraw/zinc/82/13/76/366821376.db2.gz WSEJJPYKYIBHTR-BDAKNGLRSA-N 2 0 201.314 0.023 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)CC[NH2+]1 ZINC000579475695 366823665 /nfs/dbraw/zinc/82/36/65/366823665.db2.gz GKPLALQYHAEVBD-LPEHRKFASA-N 2 0 227.352 0.617 20 0 BCADRP COC[C@@H](CCC[NH3+])N[C@@H]1CC[NH2+][C@H]1C ZINC000629545586 361426741 /nfs/dbraw/zinc/42/67/41/361426741.db2.gz LNVCOBQLLFRRMD-HBNTYKKESA-N 2 0 215.341 0.080 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000629546907 361428795 /nfs/dbraw/zinc/42/87/95/361428795.db2.gz ITZOMSUQCXCPCR-XQQFMLRXSA-N 2 0 242.363 0.897 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000629555811 361449104 /nfs/dbraw/zinc/44/91/04/361449104.db2.gz FWQNFABSMQBNFZ-NHCYSSNCSA-N 2 0 239.363 0.855 20 0 BCADRP C[C@@H]([NH2+]CCN(C)CC(F)F)C1C[NH2+]C1 ZINC000629554976 361436763 /nfs/dbraw/zinc/43/67/63/361436763.db2.gz PDKMEKXIBURAQZ-MRVPVSSYSA-N 2 0 221.295 0.381 20 0 BCADRP CC(C)[NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629554384 361441253 /nfs/dbraw/zinc/44/12/53/361441253.db2.gz ZTJNKGPVQJOENO-JTQLQIEISA-N 2 0 209.297 0.311 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000629549440 361441365 /nfs/dbraw/zinc/44/13/65/361441365.db2.gz VOUPBQSBSPSVOK-NOOOWODRSA-N 2 0 211.353 0.809 20 0 BCADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])C1 ZINC000629554662 361444033 /nfs/dbraw/zinc/44/40/33/361444033.db2.gz MPTWSHVVEIRPEV-IEECTRCBSA-N 2 0 242.363 0.753 20 0 BCADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H]1CCC[N@@H+]1C ZINC000629551133 361444116 /nfs/dbraw/zinc/44/41/16/361444116.db2.gz RRVPKEYWBUVIMU-CYDGBPFRSA-N 2 0 241.379 0.423 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN(C)CC(F)F ZINC000629556784 361445084 /nfs/dbraw/zinc/44/50/84/361445084.db2.gz YMCPYHFVIJHDCS-IUCAKERBSA-N 2 0 223.311 0.899 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN(C)CC(F)F ZINC000629556782 361445093 /nfs/dbraw/zinc/44/50/93/361445093.db2.gz YMCPYHFVIJHDCS-DTWKUNHWSA-N 2 0 223.311 0.899 20 0 BCADRP C[C@H](NCC[N@@H+]1CC[C@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000629556568 361449994 /nfs/dbraw/zinc/44/99/94/361449994.db2.gz SLBTZNDENFJXAG-RWMBFGLXSA-N 2 0 241.379 0.173 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629556390 361450350 /nfs/dbraw/zinc/45/03/50/361450350.db2.gz OXUHRYAHHXSKNE-FRRDWIJNSA-N 2 0 241.379 0.031 20 0 BCADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629541923 361417575 /nfs/dbraw/zinc/41/75/75/361417575.db2.gz UEVYINQPFCTJRV-SECBINFHSA-N 2 0 226.324 0.734 20 0 BCADRP CCn1cc([C@@H](C)[NH2+]CCOCCC[NH3+])cn1 ZINC000629542186 361418349 /nfs/dbraw/zinc/41/83/49/361418349.db2.gz WLXRAJDDONCYSW-LLVKDONJSA-N 2 0 240.351 0.919 20 0 BCADRP CC[C@H](COC)[NH2+]CCOCCC[NH3+] ZINC000629542289 361419005 /nfs/dbraw/zinc/41/90/05/361419005.db2.gz XSZKQCGGROAEHC-SNVBAGLBSA-N 2 0 204.314 0.366 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CC1CCOCC1 ZINC000629571318 361460725 /nfs/dbraw/zinc/46/07/25/361460725.db2.gz KXKWBEYYFNGRDC-UHFFFAOYSA-N 2 0 230.352 0.581 20 0 BCADRP C[N@H+](CCOCC[NH3+])CCOCC(F)F ZINC000629578594 361465166 /nfs/dbraw/zinc/46/51/66/361465166.db2.gz SUOVBODBURLUBA-UHFFFAOYSA-N 2 0 226.267 0.175 20 0 BCADRP C[C@@H](F)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629580153 361466334 /nfs/dbraw/zinc/46/63/34/361466334.db2.gz NNMHMDWPJXDHDB-MNOVXSKESA-N 2 0 218.316 0.781 20 0 BCADRP O[C@@H](C[NH2+]CCC1CC(O)C1)C[NH+]1CCCC1 ZINC000629584361 361469691 /nfs/dbraw/zinc/46/96/91/361469691.db2.gz PJPHGZNHLOKNGQ-BPCQOVAHSA-N 2 0 242.363 0.194 20 0 BCADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629581893 361472875 /nfs/dbraw/zinc/47/28/75/361472875.db2.gz JFQYUBMLYYQSEF-GARJFASQSA-N 2 0 225.336 0.182 20 0 BCADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629581633 361473091 /nfs/dbraw/zinc/47/30/91/361473091.db2.gz FCZMPKDCYZNVPR-SDDRHHMPSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000433175566 201164354 /nfs/dbraw/zinc/16/43/54/201164354.db2.gz MEDYKFIAWMJRMG-VWYCJHECSA-N 2 0 227.352 0.474 20 0 BCADRP CC(=O)NC[C@@H]1CCCC[N@@H+]1CCC[NH3+] ZINC000629595185 361481831 /nfs/dbraw/zinc/48/18/31/361481831.db2.gz KTLVWJXKCSTSKZ-NSHDSACASA-N 2 0 213.325 0.326 20 0 BCADRP COC[C@]1(C)C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000629594340 361486083 /nfs/dbraw/zinc/48/60/83/361486083.db2.gz ADOOGCKAZZZEPR-STQMWFEESA-N 2 0 242.363 0.723 20 0 BCADRP O[C@@H](C[NH2+]CCn1cccc1)C[NH+]1CCCC1 ZINC000629566062 361457549 /nfs/dbraw/zinc/45/75/49/361457549.db2.gz RWVCBNVJQQWHSY-ZDUSSCGKSA-N 2 0 237.347 0.534 20 0 BCADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH3+])[NH+](C)C ZINC000629612717 361498926 /nfs/dbraw/zinc/49/89/26/361498926.db2.gz GRZKPYDEDSMYBG-WDEREUQCSA-N 2 0 229.368 0.960 20 0 BCADRP CC[C@@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+](C)C ZINC000629612547 361499244 /nfs/dbraw/zinc/49/92/44/361499244.db2.gz DLVMBEFWBFIEEG-AXFHLTTASA-N 2 0 225.336 0.004 20 0 BCADRP CC[C@@H](C(=O)N[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000629610420 361500195 /nfs/dbraw/zinc/50/01/95/361500195.db2.gz CPBFLSMJDXCROP-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]C)C1)[NH+](C)C ZINC000629610674 361500700 /nfs/dbraw/zinc/50/07/00/361500700.db2.gz DUNWZHTXGJHJRT-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@@H](C(=O)N1CCC[C@H]([NH3+])C1)[NH+](C)C ZINC000629611335 361501281 /nfs/dbraw/zinc/50/12/81/361501281.db2.gz RKNJNLRVQRWISC-UWVGGRQHSA-N 2 0 213.325 0.276 20 0 BCADRP CC[C@@H](C(=O)N1CCC([NH3+])CC1)[NH+](C)C ZINC000629611527 361501865 /nfs/dbraw/zinc/50/18/65/361501865.db2.gz WGBLIUKLKWTFDG-JTQLQIEISA-N 2 0 213.325 0.276 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]C)C1)[NH+](C)C ZINC000629611344 361501876 /nfs/dbraw/zinc/50/18/76/361501876.db2.gz RNTADYXDHKQGGW-VHSXEESVSA-N 2 0 213.325 0.147 20 0 BCADRP CC[C@H](C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)[NH+](C)C ZINC000629612232 361502089 /nfs/dbraw/zinc/50/20/89/361502089.db2.gz YLXUINAYXMTUNS-HBNTYKKESA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@H](C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)[NH+](C)C ZINC000629611998 361502894 /nfs/dbraw/zinc/50/28/94/361502894.db2.gz OGKTWTFCBIICAP-GARJFASQSA-N 2 0 227.352 0.441 20 0 BCADRP CC[C@@H](C(=O)NCC(C)(C)[NH3+])[NH+](C)C ZINC000629614882 361503475 /nfs/dbraw/zinc/50/34/75/361503475.db2.gz PKHNGSWIDJVVSL-QMMMGPOBSA-N 2 0 201.314 0.180 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000629614679 361503585 /nfs/dbraw/zinc/50/35/85/361503585.db2.gz MGLCJMQTEWBFTO-QJPTWQEYSA-N 2 0 241.379 0.912 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC000629614694 361503637 /nfs/dbraw/zinc/50/36/37/361503637.db2.gz MSEJDUDCYBKZQX-VIFPVBQESA-N 2 0 201.314 0.052 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH+](C)C ZINC000629613062 361507075 /nfs/dbraw/zinc/50/70/75/361507075.db2.gz KWSOZAQIWRVJPX-GMTAPVOTSA-N 2 0 227.352 0.441 20 0 BCADRP CC[C@H](C(=O)NCC[C@@H]([NH3+])C(C)C)[NH+](C)C ZINC000629613476 361507412 /nfs/dbraw/zinc/50/74/12/361507412.db2.gz OOPBZXAOVHNWKE-GHMZBOCLSA-N 2 0 229.368 0.816 20 0 BCADRP CC[C@H](C(=O)N(C)CCC[NH2+]C)[NH+](C)C ZINC000629613520 361507606 /nfs/dbraw/zinc/50/76/06/361507606.db2.gz BSGQYHOOUZOKML-SNVBAGLBSA-N 2 0 215.341 0.395 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000629613548 361507916 /nfs/dbraw/zinc/50/79/16/361507916.db2.gz CEEYAJIODVCRGV-OUAUKWLOSA-N 2 0 227.352 0.570 20 0 BCADRP CO[C@H]1C[C@@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629616940 361511365 /nfs/dbraw/zinc/51/13/65/361511365.db2.gz NLPXQVZOOAIRPN-UPJWGTAASA-N 2 0 242.363 0.458 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000629655434 361560038 /nfs/dbraw/zinc/56/00/38/361560038.db2.gz WVMIHUNQLZWVRE-FIQHERPVSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]1CC[C@H](NC[C@]23C[C@H]2C[NH2+]C3)C[NH2+]1 ZINC000629660138 361564504 /nfs/dbraw/zinc/56/45/04/361564504.db2.gz OMRPCSPBUPIBJJ-NOOOWODRSA-N 2 0 209.337 0.326 20 0 BCADRP C[C@]1(C(=O)NC[C@H]([NH3+])c2ccccc2)CC[NH2+]C1 ZINC000152089201 201189163 /nfs/dbraw/zinc/18/91/63/201189163.db2.gz QJIKIWBWOFIOPO-JSGCOSHPSA-N 2 0 247.342 0.802 20 0 BCADRP CCO[C@@H]1C[N@H+](Cc2ccn(C)c2)C[C@H]1C[NH3+] ZINC000629650705 361548192 /nfs/dbraw/zinc/54/81/92/361548192.db2.gz ZVVYQTKLNBBSGG-CHWSQXEVSA-N 2 0 237.347 0.821 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000629653182 361551095 /nfs/dbraw/zinc/55/10/95/361551095.db2.gz HSTSBYPFUDMAGI-CHWSQXEVSA-N 3 0 243.395 0.542 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CC1(F)CC1 ZINC000629652700 361551115 /nfs/dbraw/zinc/55/11/15/361551115.db2.gz CVQIYDQFEPUEMM-UHFFFAOYSA-N 2 0 204.289 0.656 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@H](C)COC ZINC000629652656 361551571 /nfs/dbraw/zinc/55/15/71/361551571.db2.gz BDGSWYHDIAAGTL-NSHDSACASA-N 2 0 218.341 0.437 20 0 BCADRP C[NH2+]CCOCCN(C)C[C@@H]([NH3+])CC(C)C ZINC000629653279 361553461 /nfs/dbraw/zinc/55/34/61/361553461.db2.gz JVALAGPMQTWQQT-LBPRGKRZSA-N 3 0 231.384 0.528 20 0 BCADRP C[NH2+]CCOCCN(C)C[C@H]([NH3+])CC(C)C ZINC000629653268 361553514 /nfs/dbraw/zinc/55/35/14/361553514.db2.gz JVALAGPMQTWQQT-GFCCVEGCSA-N 3 0 231.384 0.528 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@H]1CCSC1 ZINC000629662059 361594665 /nfs/dbraw/zinc/59/46/65/361594665.db2.gz CJFKCYISADYVBJ-SNVBAGLBSA-N 2 0 218.366 0.647 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+]CCOCCC[NH3+])CC[NH2+]1 ZINC000629677037 361599736 /nfs/dbraw/zinc/59/97/36/361599736.db2.gz AGAQLSBSCYZHDD-VXGBXAGGSA-N 3 0 229.368 0.330 20 0 BCADRP Cc1ccncc1C[NH2+]CCOCCC[NH3+] ZINC000629677941 361600690 /nfs/dbraw/zinc/60/06/90/361600690.db2.gz JDGYNZAJSULDJL-UHFFFAOYSA-N 2 0 223.320 0.845 20 0 BCADRP C[C@@H]1CN(C(=O)C[NH2+]CC2CC2)C[C@@H](C)[NH2+]1 ZINC000153807346 201249042 /nfs/dbraw/zinc/24/90/42/201249042.db2.gz XRIMRZDHSXSINJ-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000153264183 201229182 /nfs/dbraw/zinc/22/91/82/201229182.db2.gz KQLNDRZXCIYYBS-PHIMTYICSA-N 2 0 227.352 0.537 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CCC[NH2+][C@@H]1C)[NH+](C)C ZINC000434708095 201233150 /nfs/dbraw/zinc/23/31/50/201233150.db2.gz UISCCZSTPGPNRC-WOPDTQHZSA-N 2 0 241.379 0.829 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000434703785 201235650 /nfs/dbraw/zinc/23/56/50/201235650.db2.gz BENJZGIBOCBDJY-GARJFASQSA-N 2 0 227.352 0.761 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000154020902 201257191 /nfs/dbraw/zinc/25/71/91/201257191.db2.gz XEPXWDWYHNHZFK-UKKRHICBSA-N 2 0 227.352 0.569 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000435756990 201285514 /nfs/dbraw/zinc/28/55/14/201285514.db2.gz WSDSSRIELTZZQG-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000435878569 201292807 /nfs/dbraw/zinc/29/28/07/201292807.db2.gz DBNKWYYMZOCPKY-GFCCVEGCSA-N 2 0 227.352 0.444 20 0 BCADRP CC[C@H]1CN(CCC[NH2+]C)CC[N@@H+]1C[C@H](C)O ZINC000435872909 201294219 /nfs/dbraw/zinc/29/42/19/201294219.db2.gz SIWSFGHGPQPUMQ-STQMWFEESA-N 2 0 243.395 0.373 20 0 BCADRP C[NH2+]CCCN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000435881776 201294477 /nfs/dbraw/zinc/29/44/77/201294477.db2.gz QDKOIAUJXITGEH-ZDUSSCGKSA-N 2 0 241.379 0.250 20 0 BCADRP C[C@@H](C(=O)NCC[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000155346181 201324725 /nfs/dbraw/zinc/32/47/25/201324725.db2.gz OFJWXRJFGFFQKU-TUAOUCFPSA-N 2 0 241.379 0.926 20 0 BCADRP [NH3+]CC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973400 181349229 /nfs/dbraw/zinc/34/92/29/181349229.db2.gz IFYPRXGDNGQLFJ-JTQLQIEISA-N 2 0 211.309 0.032 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627244662 363848297 /nfs/dbraw/zinc/84/82/97/363848297.db2.gz FRZDZPBNJIXDBF-LMLFDSFASA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000627245615 363849489 /nfs/dbraw/zinc/84/94/89/363849489.db2.gz QVTUWKPORSIIAV-LMLFDSFASA-N 2 0 240.351 0.129 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000627245618 363849534 /nfs/dbraw/zinc/84/95/34/363849534.db2.gz QVTUWKPORSIIAV-VPOLOUISSA-N 2 0 240.351 0.129 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000627245533 363849575 /nfs/dbraw/zinc/84/95/75/363849575.db2.gz OXFSYNDLWULBTC-VHSXEESVSA-N 2 0 242.367 0.363 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000627246181 363849974 /nfs/dbraw/zinc/84/99/74/363849974.db2.gz YDIMQVNBEFNRMI-UKKRHICBSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000627246179 363850046 /nfs/dbraw/zinc/85/00/46/363850046.db2.gz YDIMQVNBEFNRMI-LMLFDSFASA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627252222 363877257 /nfs/dbraw/zinc/87/72/57/363877257.db2.gz OEFJBNOQGNGMDN-MWLCHTKSSA-N 2 0 240.351 0.117 20 0 BCADRP [NH3+]CC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000164734481 181354449 /nfs/dbraw/zinc/35/44/49/181354449.db2.gz LHRBFLSFOKTIHS-UHFFFAOYSA-N 2 0 247.342 0.857 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000068195874 370752903 /nfs/dbraw/zinc/75/29/03/370752903.db2.gz FTQBUJUZZFTTIO-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP [NH3+]CC1(CC(=O)N[C@H]2CC[NH2+]C2)CCCCC1 ZINC000184131031 181359424 /nfs/dbraw/zinc/35/94/24/181359424.db2.gz WJRKOOVOCIPHDY-NSHDSACASA-N 2 0 239.363 0.764 20 0 BCADRP C[NH2+][C@H](C)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630605176 364324621 /nfs/dbraw/zinc/32/46/21/364324621.db2.gz GJSRAEPQEYATRF-BDAKNGLRSA-N 2 0 209.297 0.311 20 0 BCADRP c1c(C[C@H]2CCC[NH2+]C2)nnn1C[C@H]1CCC[NH2+]1 ZINC000630606378 364330228 /nfs/dbraw/zinc/33/02/28/364330228.db2.gz XZBVVLYJAABMGJ-VXGBXAGGSA-N 2 0 249.362 0.572 20 0 BCADRP c1c(C[C@@H]2CCC[NH2+]C2)nnn1C[C@H]1CCC[NH2+]1 ZINC000630606376 364330355 /nfs/dbraw/zinc/33/03/55/364330355.db2.gz XZBVVLYJAABMGJ-NWDGAFQWSA-N 2 0 249.362 0.572 20 0 BCADRP C[C@@H]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)CN1 ZINC000398951098 364278654 /nfs/dbraw/zinc/27/86/54/364278654.db2.gz CALNDIXVCQKWJW-HBIQZDMRSA-N 2 0 211.353 0.986 20 0 BCADRP C[C@@H]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)CN1 ZINC000398951115 364279413 /nfs/dbraw/zinc/27/94/13/364279413.db2.gz CALNDIXVCQKWJW-YYJSSNLHSA-N 2 0 211.353 0.986 20 0 BCADRP c1c(C[C@@H]2CC[NH2+]C2)nnn1[C@@H]1CCC[NH2+]C1 ZINC000630595917 364310130 /nfs/dbraw/zinc/31/01/30/364310130.db2.gz KUEWLDMPYRTLAJ-CMPLNLGQSA-N 2 0 235.335 0.355 20 0 BCADRP c1c(C[C@@H]2CCC[NH2+]C2)nnn1CC1C[NH2+]C1 ZINC000630614709 364346931 /nfs/dbraw/zinc/34/69/31/364346931.db2.gz XYWAAESIEFCGAG-JTQLQIEISA-N 2 0 235.335 0.040 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]CCC[NH+]1CCCC1 ZINC000135818433 364450260 /nfs/dbraw/zinc/45/02/60/364450260.db2.gz OIMQRSPTMPPUJD-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000579540486 366850316 /nfs/dbraw/zinc/85/03/16/366850316.db2.gz YLSSVYRDZFJLPL-VXGBXAGGSA-N 2 0 241.379 0.783 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000366635979 181366755 /nfs/dbraw/zinc/36/67/55/181366755.db2.gz YSXZDXMJLNGISB-GHMZBOCLSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]CCC(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000365097305 181366195 /nfs/dbraw/zinc/36/61/95/181366195.db2.gz YPBLHMZOPNDWEP-ONGXEEELSA-N 2 0 211.309 0.065 20 0 BCADRP [NH3+]CCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000237850125 181366198 /nfs/dbraw/zinc/36/61/98/181366198.db2.gz LGJWLVJECCNQPX-NSHDSACASA-N 2 0 225.336 0.280 20 0 BCADRP [NH3+]CCC(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000365097303 181366240 /nfs/dbraw/zinc/36/62/40/181366240.db2.gz YPBLHMZOPNDWEP-KOLCDFICSA-N 2 0 211.309 0.065 20 0 BCADRP [NH3+]CCC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000002599546 181367083 /nfs/dbraw/zinc/36/70/83/181367083.db2.gz OBCLGQWTCWBSQU-UHFFFAOYSA-N 2 0 225.336 0.422 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C)[NH+](C)C ZINC000615314882 364687767 /nfs/dbraw/zinc/68/77/67/364687767.db2.gz QARFTAWPPWQJPS-TUAOUCFPSA-N 2 0 241.379 0.878 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C)[NH+](C)C ZINC000615314883 364688012 /nfs/dbraw/zinc/68/80/12/364688012.db2.gz QARFTAWPPWQJPS-UTUOFQBUSA-N 2 0 241.379 0.878 20 0 BCADRP [NH3+]CCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000250844500 181369357 /nfs/dbraw/zinc/36/93/57/181369357.db2.gz MUROODXZZZXBHU-VHSXEESVSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@H](O)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248135778 364627229 /nfs/dbraw/zinc/62/72/29/364627229.db2.gz PAQRGLIFFZRUPY-VWYCJHECSA-N 2 0 200.326 0.830 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NC[C@H](C)[NH+](C)C ZINC000573321852 364798024 /nfs/dbraw/zinc/79/80/24/364798024.db2.gz AIUUJWRPSYIMHR-UTLUCORTSA-N 2 0 230.356 0.362 20 0 BCADRP [NH3+]CCCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000237906291 181371052 /nfs/dbraw/zinc/37/10/52/181371052.db2.gz ZMTSWTVHLYKPGP-LBPRGKRZSA-N 2 0 239.363 0.670 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371226603 181371213 /nfs/dbraw/zinc/37/12/13/181371213.db2.gz CCPWZSJBZVGTPE-RYUDHWBXSA-N 2 0 239.363 0.716 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCCC[NH2+]C1CC1 ZINC000573567031 364862888 /nfs/dbraw/zinc/86/28/88/364862888.db2.gz LYRYYERTIBCZGL-SNVBAGLBSA-N 2 0 227.352 0.633 20 0 BCADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000573379507 364817238 /nfs/dbraw/zinc/81/72/38/364817238.db2.gz KGSIPURPXXJCDZ-PWSUYJOCSA-N 3 0 229.368 0.016 20 0 BCADRP [NH3+]CCCN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000573431496 364830628 /nfs/dbraw/zinc/83/06/28/364830628.db2.gz OSQUSBGTKSAVCV-NEPJUHHUSA-N 2 0 211.353 0.942 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000573562995 364862104 /nfs/dbraw/zinc/86/21/04/364862104.db2.gz MTDUXCFWSOGOIC-MXWKQRLJSA-N 2 0 225.336 0.230 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000573576200 364867422 /nfs/dbraw/zinc/86/74/22/364867422.db2.gz JFNBYWHDISNKSY-GARJFASQSA-N 2 0 225.336 0.052 20 0 BCADRP CC(C)(C[NH3+])NC(=O)c1csc(CC[NH3+])n1 ZINC000573608652 364873855 /nfs/dbraw/zinc/87/38/55/364873855.db2.gz AGOBUPVATCPTPH-UHFFFAOYSA-N 2 0 242.348 0.111 20 0 BCADRP [NH3+]CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000370222721 181371580 /nfs/dbraw/zinc/37/15/80/181371580.db2.gz NBDWQECITZXQSV-QWHCGFSZSA-N 2 0 247.342 0.679 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000418399079 219960069 /nfs/dbraw/zinc/96/00/69/219960069.db2.gz FUBYGMSMYQSGPU-JTQLQIEISA-N 2 0 244.383 0.596 20 0 BCADRP [NH3+]CCCC(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000269273517 181374396 /nfs/dbraw/zinc/37/43/96/181374396.db2.gz USKBXVITUAHACU-UHFFFAOYSA-N 2 0 245.286 0.945 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000573924121 364946654 /nfs/dbraw/zinc/94/66/54/364946654.db2.gz RGNPMSBCKRVFIL-GHMZBOCLSA-N 2 0 227.352 0.300 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000573924128 364947819 /nfs/dbraw/zinc/94/78/19/364947819.db2.gz RGNPMSBCKRVFIL-MNOVXSKESA-N 2 0 227.352 0.300 20 0 BCADRP [NH3+]CCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000226826935 181376600 /nfs/dbraw/zinc/37/66/00/181376600.db2.gz DROPERGIBNIZCW-SRVKXCTJSA-N 2 0 239.363 0.762 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000669511978 541422143 /nfs/dbraw/zinc/42/21/43/541422143.db2.gz QBUOWEFMVQIQKU-CYBMUJFWSA-N 2 0 247.342 0.681 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000573954120 364953438 /nfs/dbraw/zinc/95/34/38/364953438.db2.gz URUUQDDIQSAHRR-BQBZGAKWSA-N 2 0 241.257 0.238 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000574039722 364964993 /nfs/dbraw/zinc/96/49/93/364964993.db2.gz YBUNWIWHIBNCIX-DGCLKSJQSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1CCN(C(=O)CCC[NH3+])C[C@H]1C[NH3+] ZINC000574039320 364965031 /nfs/dbraw/zinc/96/50/31/364965031.db2.gz KNNPXQLBQCKVKA-NXEZZACHSA-N 2 0 213.325 0.169 20 0 BCADRP C[C@H]1CCN(C(=O)CCC[NH3+])C[C@@H]1C[NH3+] ZINC000574039321 364965095 /nfs/dbraw/zinc/96/50/95/364965095.db2.gz KNNPXQLBQCKVKA-UWVGGRQHSA-N 2 0 213.325 0.169 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH2+]CC1 ZINC000574083403 364983075 /nfs/dbraw/zinc/98/30/75/364983075.db2.gz BPZUEBGWAMTWRT-UHFFFAOYSA-N 2 0 248.330 0.629 20 0 BCADRP [NH3+]CCCN(CC1CCCC1)C(=O)C[NH3+] ZINC000309581916 181379957 /nfs/dbraw/zinc/37/99/57/181379957.db2.gz SURLCVMUVZNPGJ-UHFFFAOYSA-N 2 0 213.325 0.313 20 0 BCADRP [NH3+]CCC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000574201172 365009671 /nfs/dbraw/zinc/00/96/71/365009671.db2.gz JIUYQYYMPQCQLZ-UHFFFAOYSA-N 2 0 205.261 0.577 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CCCCC1 ZINC000574205187 365010441 /nfs/dbraw/zinc/01/04/41/365010441.db2.gz RVLSCPCEYNXYMT-TUAOUCFPSA-N 2 0 239.363 0.748 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000574219093 365013733 /nfs/dbraw/zinc/01/37/33/365013733.db2.gz NFCODETUVVFJGK-QJPTWQEYSA-N 3 0 211.353 0.846 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)N(C)CCC[NH3+])CC[NH2+]1 ZINC000574221290 365014328 /nfs/dbraw/zinc/01/43/28/365014328.db2.gz YONDQSQEZQEWPB-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]1C[C@H](NC(=O)N(C)CCC[NH3+])CC[NH2+]1 ZINC000574221291 365014428 /nfs/dbraw/zinc/01/44/28/365014428.db2.gz YONDQSQEZQEWPB-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)N(C)CCC[NH3+])CC[NH2+]1 ZINC000574221289 365014908 /nfs/dbraw/zinc/01/49/08/365014908.db2.gz YONDQSQEZQEWPB-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)C1CC1)[NH+](C)C ZINC000162173919 541446855 /nfs/dbraw/zinc/44/68/55/541446855.db2.gz PECIJZIQCARMPP-PWSUYJOCSA-N 2 0 241.379 0.926 20 0 BCADRP [NH3+]CCN1CC[NH+](C2CCCCC2)CC1 ZINC000019688080 181392042 /nfs/dbraw/zinc/39/20/42/181392042.db2.gz CDCBWZFCCPFAPS-UHFFFAOYSA-N 2 0 211.353 0.895 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000574453464 365064761 /nfs/dbraw/zinc/06/47/61/365064761.db2.gz OWCHHSINLZWFLV-PWSUYJOCSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C1CC[NH+](C)CC1 ZINC000574451938 365065235 /nfs/dbraw/zinc/06/52/35/365065235.db2.gz XITSGZPTFVBSLK-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+]C1(C(=O)NC[C@H]2CCCC[NH2+]2)CCCC1 ZINC000237801063 541449483 /nfs/dbraw/zinc/44/94/83/541449483.db2.gz MWNWOYAXHVGKIT-SNVBAGLBSA-N 2 0 225.336 0.516 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000574276320 365025968 /nfs/dbraw/zinc/02/59/68/365025968.db2.gz VIOZYYCHYUPBMA-DJLDLDEBSA-N 2 0 247.289 0.098 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(F)F)C[C@H](C)[NH2+]1 ZINC000574319238 365036336 /nfs/dbraw/zinc/03/63/36/365036336.db2.gz PWDVMNDEUGLTJW-RNJXMRFFSA-N 2 0 235.278 0.178 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C[NH3+])C(C)C ZINC000433129207 192985474 /nfs/dbraw/zinc/98/54/74/192985474.db2.gz YSIOIFXTEDVBSK-MNOVXSKESA-N 2 0 227.352 0.428 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000574573362 365087990 /nfs/dbraw/zinc/08/79/90/365087990.db2.gz KGXSSKVVWLCBJY-DTWKUNHWSA-N 2 0 247.289 0.322 20 0 BCADRP CO[C@H](C[NH3+])CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000574571294 365091907 /nfs/dbraw/zinc/09/19/07/365091907.db2.gz JIUYGHIIOAFENZ-NSHDSACASA-N 2 0 237.303 0.448 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000574573679 365094087 /nfs/dbraw/zinc/09/40/87/365094087.db2.gz FJXUWACBEGVDDK-UTUOFQBUSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000574636889 365107743 /nfs/dbraw/zinc/10/77/43/365107743.db2.gz ILMSRLRJTSIWKM-BJDJZHNGSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+]CCOCCN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000357079044 181399119 /nfs/dbraw/zinc/39/91/19/181399119.db2.gz CINDXXVGUIYAJI-UONOGXRCSA-N 2 0 249.358 0.388 20 0 BCADRP C[C@]1(C(=O)N2CCC(C[NH3+])CC2)CC[NH2+]C1 ZINC000574689794 365120646 /nfs/dbraw/zinc/12/06/46/365120646.db2.gz YVHSUZWPWUIBRF-LBPRGKRZSA-N 2 0 225.336 0.183 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000574688977 365121168 /nfs/dbraw/zinc/12/11/68/365121168.db2.gz WIACHGOMEABKBK-GXFFZTMASA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)C[NH2+]CC1CC1 ZINC000357375228 181409707 /nfs/dbraw/zinc/40/97/07/181409707.db2.gz NHKYUULTCUXBEW-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000574873420 365163537 /nfs/dbraw/zinc/16/35/37/365163537.db2.gz QTOZTPQYRMDMHK-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000575044954 365175629 /nfs/dbraw/zinc/17/56/29/365175629.db2.gz GQNJPBPMTVMWKV-IVZWLZJFSA-N 2 0 213.325 0.086 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC000575047417 365176912 /nfs/dbraw/zinc/17/69/12/365176912.db2.gz QCZIWTZJWGIIFL-TUAOUCFPSA-N 2 0 245.326 0.640 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000574809819 365146208 /nfs/dbraw/zinc/14/62/08/365146208.db2.gz SZNVAEKCIAXJFI-SCZZXKLOSA-N 2 0 213.325 0.310 20 0 BCADRP CSC[C@H](O)C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000574806077 365147167 /nfs/dbraw/zinc/14/71/67/365147167.db2.gz UPDSJDPHDWEDFL-NXEZZACHSA-N 2 0 241.360 0.511 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC000443060346 193012576 /nfs/dbraw/zinc/01/25/76/193012576.db2.gz OVFVMELVWJEIRO-LBPRGKRZSA-N 2 0 239.363 0.670 20 0 BCADRP CCOC1CC(O)(C[NH2+][C@@H]2CN(C)C[C@H]2C)C1 ZINC000444014374 193033093 /nfs/dbraw/zinc/03/30/93/193033093.db2.gz PHJCDZFGIPMHMT-CQLXCSJHSA-N 2 0 242.363 0.456 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000575173562 365227207 /nfs/dbraw/zinc/22/72/07/365227207.db2.gz BOPZJXMEFIINHB-NNYUYHANSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)C[NH+]1CCC(NC(=O)C[NH+](C)C)CC1 ZINC000171399616 365196126 /nfs/dbraw/zinc/19/61/26/365196126.db2.gz UWCWFJNGQVCRGL-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)C[C@H](C)[NH2+]1 ZINC000444160324 193037803 /nfs/dbraw/zinc/03/78/03/193037803.db2.gz YQFOOBVPIGYASW-NOHGZBONSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000575121825 365210999 /nfs/dbraw/zinc/21/09/99/365210999.db2.gz IRTYJMCEVKKRNJ-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1CC[N@H+](CC(=O)NCCN2CCC2)C1 ZINC000575135425 365217970 /nfs/dbraw/zinc/21/79/70/365217970.db2.gz ALCPGMHZRHJHBL-NSHDSACASA-N 2 0 225.336 0.150 20 0 BCADRP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000575198649 365240738 /nfs/dbraw/zinc/24/07/38/365240738.db2.gz SAVGMAOLCZUZBI-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH+](C)CCCCNC(=O)c1coc(C[NH3+])c1 ZINC000444178056 193039237 /nfs/dbraw/zinc/03/92/37/193039237.db2.gz VILRZDOUKHWXSW-UHFFFAOYSA-N 2 0 239.319 0.810 20 0 BCADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)[C@H]1CC[NH2+]1 ZINC000444177013 193039470 /nfs/dbraw/zinc/03/94/70/193039470.db2.gz SBCWHPPFBJVITQ-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444172991 193039865 /nfs/dbraw/zinc/03/98/65/193039865.db2.gz YKHOBTOQBKAGIF-AAEUAGOBSA-N 2 0 237.347 0.196 20 0 BCADRP O=C(NCC[NH+]1CCCC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444167464 193039877 /nfs/dbraw/zinc/03/98/77/193039877.db2.gz LPHDRAPAWSMLGR-YPMHNXCESA-N 2 0 237.347 0.198 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444172996 193040532 /nfs/dbraw/zinc/04/05/32/193040532.db2.gz YKHOBTOQBKAGIF-YPMHNXCESA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CC[NH2+]1 ZINC000444177011 193040636 /nfs/dbraw/zinc/04/06/36/193040636.db2.gz SBCWHPPFBJVITQ-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)[NH+](C)C ZINC000444187711 193041181 /nfs/dbraw/zinc/04/11/81/193041181.db2.gz SMKRKEOIYDMDMR-SCVCMEIPSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444188197 193041652 /nfs/dbraw/zinc/04/16/52/193041652.db2.gz UJDKMVHJNLJKOD-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000444267923 193042989 /nfs/dbraw/zinc/04/29/89/193042989.db2.gz RDHXDUXEUCMUJA-SDDRHHMPSA-N 2 0 237.347 0.434 20 0 BCADRP CC[C@@]1(C(=O)NCC[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000444271153 193043595 /nfs/dbraw/zinc/04/35/95/193043595.db2.gz XEUQEHDIMHECRI-YPMHNXCESA-N 2 0 239.363 0.777 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000192126845 365276688 /nfs/dbraw/zinc/27/66/88/365276688.db2.gz JZLFCPJCAZRTQR-IUCAKERBSA-N 2 0 201.314 0.086 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000192127197 365276488 /nfs/dbraw/zinc/27/64/88/365276488.db2.gz MZJNBDOEOFUEIZ-UWVGGRQHSA-N 2 0 227.352 0.476 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)C2([NH3+])CCC2)C1 ZINC000575309294 365283569 /nfs/dbraw/zinc/28/35/69/365283569.db2.gz LDGJIFCDMAOFTK-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000575310862 365283890 /nfs/dbraw/zinc/28/38/90/365283890.db2.gz DDOHGNLHTMGPBK-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000575354359 365300154 /nfs/dbraw/zinc/30/01/54/365300154.db2.gz JRKUCMSFWBHHBD-NQBHXWOUSA-N 2 0 241.379 0.877 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C[NH2+]CC2CC2)CC[NH2+]1 ZINC000575867459 365395224 /nfs/dbraw/zinc/39/52/24/365395224.db2.gz SKQUAKQRASETLT-MWLCHTKSSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000575816627 365372114 /nfs/dbraw/zinc/37/21/14/365372114.db2.gz URBSQSDAKGYUEH-ONGXEEELSA-N 2 0 215.341 0.474 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000575900614 365408633 /nfs/dbraw/zinc/40/86/33/365408633.db2.gz WKFSZNYUAPFHFB-LLVKDONJSA-N 2 0 244.383 0.659 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)NCC1([NH3+])CCC1 ZINC000575973713 365430073 /nfs/dbraw/zinc/43/00/73/365430073.db2.gz LUDVFTRFNYHZNG-UHFFFAOYSA-N 2 0 242.367 0.461 20 0 BCADRP [NH3+]CCC[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000575994718 365440422 /nfs/dbraw/zinc/44/04/22/365440422.db2.gz UISXFNCLXRUDOG-UWVGGRQHSA-N 2 0 216.350 0.542 20 0 BCADRP C[C@H](NC(=O)C(C)(C)C[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000576028941 365454685 /nfs/dbraw/zinc/45/46/85/365454685.db2.gz FIYLGLVZOOUHAA-VHSXEESVSA-N 2 0 227.352 0.476 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000576038677 365458488 /nfs/dbraw/zinc/45/84/88/365458488.db2.gz JXWJFYMDKZZHRK-SECBINFHSA-N 2 0 249.305 0.427 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000579590440 366894084 /nfs/dbraw/zinc/89/40/84/366894084.db2.gz ICIKHFPLVJKCDS-KXNHARMFSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000579602892 366901103 /nfs/dbraw/zinc/90/11/03/366901103.db2.gz XHGMVVNSVTXQRM-NEPJUHHUSA-N 3 0 229.368 0.018 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](CO)C2CC2)C1 ZINC000576122057 365493287 /nfs/dbraw/zinc/49/32/87/365493287.db2.gz VFWUTJGNWXZDGX-UTUOFQBUSA-N 2 0 212.337 0.864 20 0 BCADRP C[C@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000576150164 365502026 /nfs/dbraw/zinc/50/20/26/365502026.db2.gz HDHBWGGKPWDLJI-NWDGAFQWSA-N 2 0 242.363 0.458 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)CC[NH2+]C1CC1 ZINC000579611730 366907104 /nfs/dbraw/zinc/90/71/04/366907104.db2.gz OWOFXQWETJOOPO-NSHDSACASA-N 2 0 239.363 0.633 20 0 BCADRP CNC(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156091799 541485358 /nfs/dbraw/zinc/48/53/58/541485358.db2.gz DNJMYYOWMSOZPY-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000579710544 366982595 /nfs/dbraw/zinc/98/25/95/366982595.db2.gz KCWFGPMGKTVYMA-WDEREUQCSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000579710541 366982736 /nfs/dbraw/zinc/98/27/36/366982736.db2.gz KCWFGPMGKTVYMA-GHMZBOCLSA-N 2 0 239.363 0.701 20 0 BCADRP CC(C)(O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000579712857 366985546 /nfs/dbraw/zinc/98/55/46/366985546.db2.gz GBOGYOPTLDEBKU-NEPJUHHUSA-N 2 0 242.363 0.586 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000579712374 366987682 /nfs/dbraw/zinc/98/76/82/366987682.db2.gz UDXRMGZNBMVBEK-NXEZZACHSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000564957801 325834307 /nfs/dbraw/zinc/83/43/07/325834307.db2.gz FJJSUBMWFSVXOL-UWVGGRQHSA-N 2 0 227.352 0.761 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000579714110 366989758 /nfs/dbraw/zinc/98/97/58/366989758.db2.gz VNRVVLJXYIADDH-KXUCPTDWSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000564995442 325842940 /nfs/dbraw/zinc/84/29/40/325842940.db2.gz UNFOEYMJVSVRBJ-MDZLAQPJSA-N 2 0 239.363 0.633 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000579829291 367035110 /nfs/dbraw/zinc/03/51/10/367035110.db2.gz BULBEMQKTUMMAB-UHFFFAOYSA-N 2 0 237.347 0.341 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CC[NH2+]C1CC1 ZINC000579858247 367055040 /nfs/dbraw/zinc/05/50/40/367055040.db2.gz VVYAFSZBOPIEOF-IUCAKERBSA-N 2 0 213.325 0.371 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCC3(CC[NH2+]3)CC2)C1 ZINC000579961523 367104882 /nfs/dbraw/zinc/10/48/82/367104882.db2.gz JZASGQYTZYHGSY-AOOOYVTPSA-N 2 0 223.320 0.078 20 0 BCADRP [NH3+]C1(C[NH2+]CC[C@@H]2CCC[NH2+]C2)CCC1 ZINC000580834738 367182172 /nfs/dbraw/zinc/18/21/72/367182172.db2.gz VMDUEASOPBZJSO-NSHDSACASA-N 3 0 211.353 0.847 20 0 BCADRP COCCC[NH+]1CCC([NH2+]C[C@H](C)O)CC1 ZINC000580769016 367160037 /nfs/dbraw/zinc/16/00/37/367160037.db2.gz FEZTZNYEAYYXAZ-NSHDSACASA-N 2 0 230.352 0.458 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000580773536 367162877 /nfs/dbraw/zinc/16/28/77/367162877.db2.gz OIRAMAHZMOTASU-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)CCC[NH3+] ZINC000580892222 367198895 /nfs/dbraw/zinc/19/88/95/367198895.db2.gz HGCFSMLVCKTKDC-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)CC[C@H]1[NH3+] ZINC000580891975 367198970 /nfs/dbraw/zinc/19/89/70/367198970.db2.gz VDSYBHCJLMUEEQ-IEBDPFPHSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@H](C[NH3+])NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000580892925 367199222 /nfs/dbraw/zinc/19/92/22/367199222.db2.gz VLWXQERPZARKHB-UBJLHIIHSA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000580951341 367214702 /nfs/dbraw/zinc/21/47/02/367214702.db2.gz MNOVYQHLRABMCZ-GMTAPVOTSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@@H]1CC[N@H+](CC(=O)NCCCC[NH+](C)C)C1 ZINC000581021520 367239555 /nfs/dbraw/zinc/23/95/55/367239555.db2.gz YIEIOKLVCLHYCZ-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)C1CC([NH3+])C1 ZINC000581308796 367336443 /nfs/dbraw/zinc/33/64/43/367336443.db2.gz GXXXSYGNPUSKJU-AFWXGSBKSA-N 2 0 228.340 0.243 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(C)C1CC([NH3+])C1 ZINC000581308798 367336525 /nfs/dbraw/zinc/33/65/25/367336525.db2.gz GXXXSYGNPUSKJU-LGUIWLBCSA-N 2 0 228.340 0.243 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000381041906 367340561 /nfs/dbraw/zinc/34/05/61/367340561.db2.gz CMCQINZKQYKEKB-GXSJLCMTSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000381041908 367341125 /nfs/dbraw/zinc/34/11/25/367341125.db2.gz CMCQINZKQYKEKB-KOLCDFICSA-N 2 0 213.325 0.311 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000381063513 367345859 /nfs/dbraw/zinc/34/58/59/367345859.db2.gz LWBHNMZSBUWMEY-QJPTWQEYSA-N 2 0 230.352 0.314 20 0 BCADRP CCCC[N@H+](CCO)C[C@H](O)CN(C)CC ZINC000381105006 367350451 /nfs/dbraw/zinc/35/04/51/367350451.db2.gz YMNZLEXGNNLVCA-GFCCVEGCSA-N 2 0 232.368 0.393 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000581251733 367309071 /nfs/dbraw/zinc/30/90/71/367309071.db2.gz JLBOPSVCSDKLBK-WZRBSPASSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000381346544 367384428 /nfs/dbraw/zinc/38/44/28/367384428.db2.gz ZDNDUSDZVBBCMW-KOLCDFICSA-N 2 0 213.325 0.087 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000381354465 367386671 /nfs/dbraw/zinc/38/66/71/367386671.db2.gz CLGBUYFRONGRME-RKDXNWHRSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NC1(C)CC[NH2+]CC1 ZINC000381374475 367390362 /nfs/dbraw/zinc/39/03/62/367390362.db2.gz IMDZLMOHEAZPTN-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000381382077 367391152 /nfs/dbraw/zinc/39/11/52/367391152.db2.gz KVSACAYCBQDRJC-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000381382079 367391722 /nfs/dbraw/zinc/39/17/22/367391722.db2.gz KVSACAYCBQDRJC-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]CCC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000381393347 367393865 /nfs/dbraw/zinc/39/38/65/367393865.db2.gz OBHYLLWUCBPURZ-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)CC[C@@H](C)[NH3+])C1 ZINC000581369012 367400556 /nfs/dbraw/zinc/40/05/56/367400556.db2.gz XXXPLWVPORXOHH-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000381436843 367403145 /nfs/dbraw/zinc/40/31/45/367403145.db2.gz YEDOIODSXKEILO-UTLUCORTSA-N 2 0 213.325 0.310 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000381441371 367405108 /nfs/dbraw/zinc/40/51/08/367405108.db2.gz ZHIXWOZXSDLZNO-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H](C[NH2+]CC1(F)CC1)N1CC[NH+](C)CC1 ZINC000381463249 367410854 /nfs/dbraw/zinc/41/08/54/367410854.db2.gz LSKYEZVCZRPHDF-NSHDSACASA-N 2 0 229.343 0.714 20 0 BCADRP C[C@H]([NH3+])CN1CCC(OCCC[NH3+])CC1 ZINC000381268589 367372343 /nfs/dbraw/zinc/37/23/43/367372343.db2.gz UWMCGGWAAGOYRN-JTQLQIEISA-N 2 0 215.341 0.163 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000581437603 367471048 /nfs/dbraw/zinc/47/10/48/367471048.db2.gz QSGIBFVJUHATSM-AGIUHOORSA-N 2 0 243.395 0.323 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000381604028 367436252 /nfs/dbraw/zinc/43/62/52/367436252.db2.gz OMKKCQDKAHDKBV-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000381785012 367458075 /nfs/dbraw/zinc/45/80/75/367458075.db2.gz YQELTNROUAZZPB-GUBZILKMSA-N 2 0 213.325 0.310 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000382555815 367538396 /nfs/dbraw/zinc/53/83/96/367538396.db2.gz JOPWTJZSYKEBCR-GMTAPVOTSA-N 2 0 216.325 0.243 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000382571533 367541838 /nfs/dbraw/zinc/54/18/38/367541838.db2.gz RNDYNHWBRONDMU-FDYHWXHSSA-N 2 0 244.379 0.702 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000581547519 367575429 /nfs/dbraw/zinc/57/54/29/367575429.db2.gz GZOVZIGEFVZLDN-DGCLKSJQSA-N 2 0 249.358 0.800 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000383141368 367600503 /nfs/dbraw/zinc/60/05/03/367600503.db2.gz JXOAGOQXEVHOCN-GXSJLCMTSA-N 2 0 237.347 0.480 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])[C@H](C)[NH3+] ZINC000565835155 325963160 /nfs/dbraw/zinc/96/31/60/325963160.db2.gz NUMLZHNGQKDGQE-XWLWVQCSSA-N 2 0 229.368 0.848 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]1)[C@@H]1CCCCC[NH2+]1 ZINC000581656770 367657387 /nfs/dbraw/zinc/65/73/87/367657387.db2.gz OASMDJZDDHRBBN-NEPJUHHUSA-N 2 0 239.363 0.777 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000581665745 367665696 /nfs/dbraw/zinc/66/56/96/367665696.db2.gz FEARBOWUHPQWOC-MMWGEVLESA-N 2 0 242.367 0.504 20 0 BCADRP CC[C@H](C)C[N@H+](C)C[C@H](O)CN(C)CCOC ZINC000384040519 367669207 /nfs/dbraw/zinc/66/92/07/367669207.db2.gz UZUPOSRVOHVWHP-QWHCGFSZSA-N 2 0 246.395 0.903 20 0 BCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CC[NH2+]3)CC[C@@H]21 ZINC000384742965 367725658 /nfs/dbraw/zinc/72/56/58/367725658.db2.gz GRDFLUKDOXWYNL-UTUOFQBUSA-N 2 0 237.347 0.291 20 0 BCADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CC[NH2+]1 ZINC000384806178 367735942 /nfs/dbraw/zinc/73/59/42/367735942.db2.gz ZOOSDOXQOWEVPF-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[NH2+]1)c1ccccc1 ZINC000384813867 367736698 /nfs/dbraw/zinc/73/66/98/367736698.db2.gz IXWCYZJTRFQKJQ-CHWSQXEVSA-N 2 0 247.342 0.767 20 0 BCADRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000384838400 367740074 /nfs/dbraw/zinc/74/00/74/367740074.db2.gz RDHXDUXEUCMUJA-GRYCIOLGSA-N 2 0 237.347 0.434 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)[C@@H](C)O1 ZINC000384921511 367757709 /nfs/dbraw/zinc/75/77/09/367757709.db2.gz RHACSUKTWJJDFC-LPWJVIDDSA-N 2 0 242.363 0.599 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364581027 181432212 /nfs/dbraw/zinc/43/22/12/181432212.db2.gz PWQSEXXBLWFXAF-MRBYEJRBSA-N 2 0 237.347 0.230 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000581727328 367792150 /nfs/dbraw/zinc/79/21/50/367792150.db2.gz ZSUTXHLMYDPZEL-OPRDCNLKSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CC[NH2+]CC1 ZINC000566204389 326012570 /nfs/dbraw/zinc/01/25/70/326012570.db2.gz WIRJLUAHBKAYHX-MWLCHTKSSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000581884721 367875381 /nfs/dbraw/zinc/87/53/81/367875381.db2.gz UTQQRIQFMALJNL-NXEZZACHSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@H](CO)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386147025 367919644 /nfs/dbraw/zinc/91/96/44/367919644.db2.gz RJZUTYJOTLWZQX-DCAQKATOSA-N 2 0 200.326 0.735 20 0 BCADRP C[C@@H]([NH2+]C[C@H](C)CO)[C@@H]1CCCC[NH2+]1 ZINC000386147024 367919766 /nfs/dbraw/zinc/91/97/66/367919766.db2.gz RJZUTYJOTLWZQX-AXFHLTTASA-N 2 0 200.326 0.735 20 0 BCADRP C[C@@H]([NH2+]CCCOCCO)[C@H]1CCCC[NH2+]1 ZINC000386593933 367998763 /nfs/dbraw/zinc/99/87/63/367998763.db2.gz SEIYIXRUYGGASN-VXGBXAGGSA-N 2 0 230.352 0.506 20 0 BCADRP COC[C@H](C)C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000581931432 367957248 /nfs/dbraw/zinc/95/72/48/367957248.db2.gz WMHJZVZGVUGPOA-OUAUKWLOSA-N 2 0 200.326 0.986 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000582001955 368119989 /nfs/dbraw/zinc/11/99/89/368119989.db2.gz VGUFXQXHXCMRON-DBIOUOCHSA-N 2 0 240.351 0.116 20 0 BCADRP CCCN(C(=O)[C@@H]1CC[NH2+][C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000581992770 368076169 /nfs/dbraw/zinc/07/61/69/368076169.db2.gz WAQXEMDPZBVNDF-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+](C)CCCCC(=O)N1CC(C[NH+](C)C)C1 ZINC000615510848 368085204 /nfs/dbraw/zinc/08/52/04/368085204.db2.gz YEJXIYWNQHXQNS-UHFFFAOYSA-N 2 0 241.379 0.738 20 0 BCADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H](C)CO ZINC000252958408 368170175 /nfs/dbraw/zinc/17/01/75/368170175.db2.gz SUXVDDAUGWWEBB-UTUOFQBUSA-N 2 0 230.352 0.050 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H](C)CCC[NH3+] ZINC000566560636 326064091 /nfs/dbraw/zinc/06/40/91/326064091.db2.gz FIDOZZWGOIRLOA-BDAKNGLRSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)[C@H]1C[NH3+] ZINC000446157216 201676480 /nfs/dbraw/zinc/67/64/80/201676480.db2.gz IDRIARYGFTWIQV-DCAQKATOSA-N 2 0 225.336 0.182 20 0 BCADRP CC[C@@H](CO)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000163981256 202816264 /nfs/dbraw/zinc/81/62/64/202816264.db2.gz WNDHGJBZHXQZDZ-DCAQKATOSA-N 2 0 200.326 0.864 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000566853952 326088138 /nfs/dbraw/zinc/08/81/38/326088138.db2.gz LBORGKIQKLWLRZ-ZDUSSCGKSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1CC[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000566790750 326082534 /nfs/dbraw/zinc/08/25/34/326082534.db2.gz JXNDRCLXZNPTHC-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[N@H+](CC[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000566796797 326083659 /nfs/dbraw/zinc/08/36/59/326083659.db2.gz JFUGDBMYCQYBJT-LLVKDONJSA-N 3 0 211.353 0.670 20 0 BCADRP C[NH2+]C[C@](C)(O)C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000566918038 326094160 /nfs/dbraw/zinc/09/41/60/326094160.db2.gz DQOHWYQDWFGZMT-MXWKQRLJSA-N 2 0 200.326 0.545 20 0 BCADRP COC[C@]1(CNC[C@@]2(C)CC[NH2+]C2)CCC[NH2+]1 ZINC000566973638 326098564 /nfs/dbraw/zinc/09/85/64/326098564.db2.gz NAOBZXGHBIBWGI-QWHCGFSZSA-N 2 0 241.379 0.344 20 0 BCADRP CSC1(C[NH2+]CCC(N)=O)CC[NH+](C)CC1 ZINC000567043535 326105693 /nfs/dbraw/zinc/10/56/93/326105693.db2.gz GTXKFEWZOBEEGK-UHFFFAOYSA-N 2 0 245.392 0.279 20 0 BCADRP CC[C@H](CNC1=[NH+]CCCN1)[NH+]1CCCC1 ZINC000066245289 368642260 /nfs/dbraw/zinc/64/22/60/368642260.db2.gz VEYSIMMNQQXCPT-LLVKDONJSA-N 2 0 224.352 0.800 20 0 BCADRP CC[NH+](CC)CCNC(=O)NC[C@H](C)[NH+](C)C ZINC000457409936 203057078 /nfs/dbraw/zinc/05/70/78/203057078.db2.gz QTOLFVMJPDVUGO-NSHDSACASA-N 2 0 244.383 0.578 20 0 BCADRP COC[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154438409 326144046 /nfs/dbraw/zinc/14/40/46/326144046.db2.gz MZYWSBRGFVDCDJ-ZDUSSCGKSA-N 2 0 243.395 0.639 20 0 BCADRP COCCOCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086402444 368880447 /nfs/dbraw/zinc/88/04/47/368880447.db2.gz IKTZXWSAAMQJPN-VXGBXAGGSA-N 2 0 230.352 0.899 20 0 BCADRP [NH3+]CCCCNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000087618516 368895365 /nfs/dbraw/zinc/89/53/65/368895365.db2.gz POGGWTMKNSBCSF-ZDUSSCGKSA-N 2 0 247.342 0.729 20 0 BCADRP C[C@@H]1CCCN(C[C@@H]2CCc3ncnn32)[C@H]1C[NH3+] ZINC000631822150 368976247 /nfs/dbraw/zinc/97/62/47/368976247.db2.gz UPZXQIFKEGXSDT-WOPDTQHZSA-N 2 0 249.362 0.825 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000623661817 369075158 /nfs/dbraw/zinc/07/51/58/369075158.db2.gz DRVICHOOIYLWGY-FIQHERPVSA-N 2 0 237.347 0.467 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000623661818 369075225 /nfs/dbraw/zinc/07/52/25/369075225.db2.gz DRVICHOOIYLWGY-KKOKHZNYSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000155084773 326184024 /nfs/dbraw/zinc/18/40/24/326184024.db2.gz MRLZHHZKDHACDP-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)COC)CC1 ZINC000155746607 326210778 /nfs/dbraw/zinc/21/07/78/326210778.db2.gz IRWBZQIBYQTTKO-STQMWFEESA-N 2 0 243.395 0.637 20 0 BCADRP CO[C@@H](C[NH3+])c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000567587646 326220843 /nfs/dbraw/zinc/22/08/43/326220843.db2.gz ZCTJYMPAWZZEKA-SFYZADRCSA-N 2 0 228.296 0.762 20 0 BCADRP C[C@@H](CNC(=O)N(C)CC[NH+](C)C)[NH+](C)C ZINC000459047397 203227240 /nfs/dbraw/zinc/22/72/40/203227240.db2.gz WCZOUPOEKMNJNE-JTQLQIEISA-N 2 0 230.356 0.140 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1C[NH3+] ZINC000631841760 369357975 /nfs/dbraw/zinc/35/79/75/369357975.db2.gz PHODGROSMMTJIE-ZWNOBZJWSA-N 2 0 247.342 0.812 20 0 BCADRP COC(=O)CCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404884845 369438904 /nfs/dbraw/zinc/43/89/04/369438904.db2.gz IBABPHHLROQWJX-BDAKNGLRSA-N 2 0 214.309 0.655 20 0 BCADRP CCn1cc(CCN2C[C@H]([NH3+])C[C@@H]2C)cn1 ZINC000631861490 369467945 /nfs/dbraw/zinc/46/79/45/369467945.db2.gz CMWNBVAFCWSXFN-CMPLNLGQSA-N 2 0 222.336 0.867 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000567825589 326264382 /nfs/dbraw/zinc/26/43/82/326264382.db2.gz SNCKZCTWTDVUCD-GHMZBOCLSA-N 2 0 225.336 0.291 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)CCCC[NH3+] ZINC000567839341 326267735 /nfs/dbraw/zinc/26/77/35/326267735.db2.gz MMCDMVPOFXLCDE-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000567846454 326268930 /nfs/dbraw/zinc/26/89/30/326268930.db2.gz CGHSZIONICYXPM-GARJFASQSA-N 2 0 227.352 0.413 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1CC1 ZINC000165607180 203385705 /nfs/dbraw/zinc/38/57/05/203385705.db2.gz UTNIQXVXUMCKLF-WDEREUQCSA-N 2 0 241.379 0.816 20 0 BCADRP CCOC[C@H](C)[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000166115106 203387587 /nfs/dbraw/zinc/38/75/87/203387587.db2.gz GVIYNMUVACIDAX-GRYCIOLGSA-N 2 0 230.352 0.768 20 0 BCADRP CC(C)[C@@H](CO)[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000166137027 203388068 /nfs/dbraw/zinc/38/80/68/203388068.db2.gz NSFSJGSFWSXHFK-SDDRHHMPSA-N 2 0 230.352 0.360 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000619898153 369630636 /nfs/dbraw/zinc/63/06/36/369630636.db2.gz FBSTYSGTGDGQNZ-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCC)C1 ZINC000619898832 369630710 /nfs/dbraw/zinc/63/07/10/369630710.db2.gz LSLGPJQONQFTNR-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000619901673 369632323 /nfs/dbraw/zinc/63/23/23/369632323.db2.gz XGBHHELPFGSVME-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@@H](C)C[N@H+](C)C[C@](C)(O)C[NH2+]C ZINC000568050900 326300295 /nfs/dbraw/zinc/30/02/95/326300295.db2.gz MQIQICZAOQIRCG-GHMZBOCLSA-N 2 0 202.342 0.935 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)C[NH2+]C)C1 ZINC000252639637 370104098 /nfs/dbraw/zinc/10/40/98/370104098.db2.gz KAIIBRQMMZTUKS-GHMZBOCLSA-N 2 0 227.352 0.300 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C[NH2+]C ZINC000252644858 370105606 /nfs/dbraw/zinc/10/56/06/370105606.db2.gz PKPCVGPWLQINQB-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH3+])[C@@H](C)C1 ZINC000252671480 370110006 /nfs/dbraw/zinc/11/00/06/370110006.db2.gz VXAYLOZXHBEMTR-NWDGAFQWSA-N 2 0 241.379 0.914 20 0 BCADRP CC(C)[C@@H]1CN(C(=O)[C@H](C)[NH+](C)C)CC[NH2+]1 ZINC000621154598 370127541 /nfs/dbraw/zinc/12/75/41/370127541.db2.gz OJLPNLVXILWRDC-QWRGUYRKSA-N 2 0 227.352 0.393 20 0 BCADRP CC[C@H](C(=O)N1CC[NH2+][C@H](C(C)C)C1)[NH+](C)C ZINC000621155838 370128376 /nfs/dbraw/zinc/12/83/76/370128376.db2.gz MZSWCCZLCWUSTN-NWDGAFQWSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252852072 370136393 /nfs/dbraw/zinc/13/63/93/370136393.db2.gz IIMMJBYBGQKDOM-VPOLOUISSA-N 2 0 227.352 0.569 20 0 BCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252870829 370138602 /nfs/dbraw/zinc/13/86/02/370138602.db2.gz SOHSSUSWUBRXNG-SRVKXCTJSA-N 2 0 239.363 0.572 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000253171638 370155340 /nfs/dbraw/zinc/15/53/40/370155340.db2.gz JADMSRAGWPDHEP-ZYHUDNBSSA-N 2 0 239.363 0.442 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621679574 370429267 /nfs/dbraw/zinc/42/92/67/370429267.db2.gz OVXSCAQAHQABJZ-MEWQQHAOSA-N 2 0 237.347 0.454 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621679575 370429546 /nfs/dbraw/zinc/42/95/46/370429546.db2.gz OVXSCAQAHQABJZ-XZUYRWCXSA-N 2 0 237.347 0.454 20 0 BCADRP [NH3+][C@H](C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)C1CCC1 ZINC000621683102 370431303 /nfs/dbraw/zinc/43/13/03/370431303.db2.gz PYGYAVXQBXVTOO-NTZNESFSSA-N 2 0 237.347 0.454 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621682163 370431380 /nfs/dbraw/zinc/43/13/80/370431380.db2.gz AELISUWLNNDEDQ-UMNHJUIQSA-N 2 0 225.336 0.454 20 0 BCADRP [NH3+][C@H](C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)C1CCC1 ZINC000621683101 370431760 /nfs/dbraw/zinc/43/17/60/370431760.db2.gz PYGYAVXQBXVTOO-MDZLAQPJSA-N 2 0 237.347 0.454 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621682721 370431849 /nfs/dbraw/zinc/43/18/49/370431849.db2.gz JZNPBRUNUKKDQN-CWSCBRNRSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621682162 370432162 /nfs/dbraw/zinc/43/21/62/370432162.db2.gz AELISUWLNNDEDQ-NHCYSSNCSA-N 2 0 225.336 0.454 20 0 BCADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[NH2+]1)C2 ZINC000621683899 370432627 /nfs/dbraw/zinc/43/26/27/370432627.db2.gz DQUWNGJFIAKEIO-JBLDHEPKSA-N 2 0 223.320 0.078 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1CCC[NH2+]C1)C2 ZINC000621683759 370432712 /nfs/dbraw/zinc/43/27/12/370432712.db2.gz AQKWRYJMSLHYJK-WZRBSPASSA-N 2 0 237.347 0.326 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621683158 370432926 /nfs/dbraw/zinc/43/29/26/370432926.db2.gz QUVXXPXLCZOWIL-GUDRVLHUSA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+]C1(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CCCC1 ZINC000621684329 370433618 /nfs/dbraw/zinc/43/36/18/370433618.db2.gz KSEWUXQBNJFMNK-ZWNOBZJWSA-N 2 0 237.347 0.598 20 0 BCADRP [NH3+]C1(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CCCC1 ZINC000621684326 370433662 /nfs/dbraw/zinc/43/36/62/370433662.db2.gz KSEWUXQBNJFMNK-GWCFXTLKSA-N 2 0 237.347 0.598 20 0 BCADRP CC(C)([NH3+])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684136 370433887 /nfs/dbraw/zinc/43/38/87/370433887.db2.gz IAPLZAOKDKXZSZ-GZMMTYOYSA-N 2 0 211.309 0.064 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621620078 370403191 /nfs/dbraw/zinc/40/31/91/370403191.db2.gz PYXJUPIPCYZNAL-WDEREUQCSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621620077 370403326 /nfs/dbraw/zinc/40/33/26/370403326.db2.gz PYXJUPIPCYZNAL-GHMZBOCLSA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684435 370434600 /nfs/dbraw/zinc/43/46/00/370434600.db2.gz MISBGPLCMRCVEX-NTZNESFSSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)(C[NH3+])NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621622100 370406503 /nfs/dbraw/zinc/40/65/03/370406503.db2.gz UMCHSUAHWPAMPZ-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP CN(CCC[NH3+])C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621623964 370407300 /nfs/dbraw/zinc/40/73/00/370407300.db2.gz RASUOMOJUBMHPB-LLVKDONJSA-N 2 0 227.352 0.573 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684888 370434885 /nfs/dbraw/zinc/43/48/85/370434885.db2.gz VELBVGQLJNTYLB-JQWIXIFHSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684789 370434948 /nfs/dbraw/zinc/43/49/48/370434948.db2.gz SMLVEPWUAQUNRP-NHCYSSNCSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621653356 370413151 /nfs/dbraw/zinc/41/31/51/370413151.db2.gz WFUKIYSDNXKIMD-GHMZBOCLSA-N 2 0 227.352 0.477 20 0 BCADRP C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]C1)[C@H](C)[NH3+] ZINC000621658751 370416423 /nfs/dbraw/zinc/41/64/23/370416423.db2.gz RESUEQJGAHOOMH-HBNTYKKESA-N 2 0 227.352 0.618 20 0 BCADRP CCn1nccc1CC[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000621774321 370519800 /nfs/dbraw/zinc/51/98/00/370519800.db2.gz QRKVASFLBJTMJZ-LBPRGKRZSA-N 2 0 236.363 0.987 20 0 BCADRP CCNC(=O)C(C)(C)[NH2+]CC1CC[NH2+]CC1 ZINC000312823002 370551019 /nfs/dbraw/zinc/55/10/19/370551019.db2.gz CSWCHYRSUJGXGG-UHFFFAOYSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NC1CC[NH+](C)CC1 ZINC000621837451 370557631 /nfs/dbraw/zinc/55/76/31/370557631.db2.gz IIQBKHCZTCSJRD-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000114400266 370557687 /nfs/dbraw/zinc/55/76/87/370557687.db2.gz CXBNLFOOUBVIHR-VXGBXAGGSA-N 2 0 239.363 0.491 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(C[C@H]1CC[NH2+]C1)C2 ZINC000621778695 370526947 /nfs/dbraw/zinc/52/69/47/370526947.db2.gz UECBRQRDBPBDOR-SRVKXCTJSA-N 2 0 209.337 0.409 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C[C@H]1CC[NH2+]C1)C2 ZINC000621778696 370527695 /nfs/dbraw/zinc/52/76/95/370527695.db2.gz UECBRQRDBPBDOR-TUAOUCFPSA-N 2 0 209.337 0.409 20 0 BCADRP [NH3+][C@@]12CCC[C@H]1CN(CCn1cncn1)C2 ZINC000621781953 370531029 /nfs/dbraw/zinc/53/10/29/370531029.db2.gz KJTKJQYDZPNEGO-WDEREUQCSA-N 2 0 221.308 0.091 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH2+]C)[C@@H](C)C1 ZINC000568529095 326363448 /nfs/dbraw/zinc/36/34/48/326363448.db2.gz CCYXSIKFCYSACT-SRVKXCTJSA-N 2 0 241.379 0.783 20 0 BCADRP CC(C)[C@H]1CN(C[C@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000631880001 370615774 /nfs/dbraw/zinc/61/57/74/370615774.db2.gz KVOJENOZTHFNNP-CHWSQXEVSA-N 2 0 241.379 0.247 20 0 BCADRP Cn1nccc1CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889892 370996978 /nfs/dbraw/zinc/99/69/78/370996978.db2.gz KQTXETFKQIBKKE-WCQYABFASA-N 2 0 234.347 0.994 20 0 BCADRP COC(=O)C1(C[NH2+]C[C@]2(C)CC[NH2+]C2)CC1 ZINC000568749695 326374840 /nfs/dbraw/zinc/37/48/40/326374840.db2.gz LILIJMAETPCWHF-LLVKDONJSA-N 2 0 226.320 0.529 20 0 BCADRP C[C@@H]([NH2+]CCN1CC[C@H](O)C1)[C@H]1C[C@H]1C ZINC000623838191 371121358 /nfs/dbraw/zinc/12/13/58/371121358.db2.gz JZCVBZXSHHAOLS-WYUUTHIRSA-N 2 0 212.337 0.687 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C[NH2+]CC1CC1 ZINC000568998968 326385988 /nfs/dbraw/zinc/38/59/88/326385988.db2.gz LIPAHYSERSPGOI-GXSJLCMTSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCCC[NH3+] ZINC000390545172 371212982 /nfs/dbraw/zinc/21/29/82/371212982.db2.gz MQJIARWHINKEHV-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)[C@@H]1CC[NH2+]C1)C2 ZINC000364251568 181581462 /nfs/dbraw/zinc/58/14/62/181581462.db2.gz BJAVQWPAJUDFGU-WZRBSPASSA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000364780865 181581940 /nfs/dbraw/zinc/58/19/40/181581940.db2.gz XLHSJESBZXWZCT-OUAUKWLOSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000624130230 371331313 /nfs/dbraw/zinc/33/13/13/371331313.db2.gz IPQWYZFBVYBMNV-DLOVCJGASA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+][C@H]1C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc21 ZINC000333280412 181659572 /nfs/dbraw/zinc/65/95/72/181659572.db2.gz MIWLLCKBFWCKKU-ZUWCUPBKSA-N 2 0 229.327 0.939 20 0 BCADRP C[C@H]1C[C@@H](NCC[NH+]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000624228537 371416615 /nfs/dbraw/zinc/41/66/15/371416615.db2.gz VDJHLJIOBJBOQB-RWMBFGLXSA-N 2 0 241.379 0.125 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000165405391 326421849 /nfs/dbraw/zinc/42/18/49/326421849.db2.gz HEXDRZPWCXIIDA-GHMZBOCLSA-N 2 0 229.368 0.770 20 0 BCADRP Cc1cncn1CC(=O)NCC[N@@H+](C)C1CC1 ZINC000624597919 371549404 /nfs/dbraw/zinc/54/94/04/371549404.db2.gz AEUMCOWNDYXRMB-UHFFFAOYSA-N 2 0 236.319 0.402 20 0 BCADRP CCCC[NH+]1CCC(NC(=O)[C@H](C)C[NH3+])CC1 ZINC000054338228 168825997 /nfs/dbraw/zinc/82/59/97/168825997.db2.gz VTTQYSKLTJYEEV-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP Cc1nccnc1CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000631824064 372589161 /nfs/dbraw/zinc/58/91/61/372589161.db2.gz VDIDRTMDJUPMAL-MWLCHTKSSA-N 2 0 220.320 0.954 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000631821470 372594783 /nfs/dbraw/zinc/59/47/83/372594783.db2.gz ZCVXRUZGHXJQKZ-JQWIXIFHSA-N 2 0 249.362 0.825 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631821146 372594973 /nfs/dbraw/zinc/59/49/73/372594973.db2.gz QHQIJVNBDSIJPD-NWDGAFQWSA-N 2 0 249.362 0.697 20 0 BCADRP C[C@@](C[NH3+])([NH2+]C[C@H]1CCc2ncnn21)C1CC1 ZINC000631822553 372598351 /nfs/dbraw/zinc/59/83/51/372598351.db2.gz HVDUFSKPHHOYHW-PWSUYJOCSA-N 2 0 235.335 0.482 20 0 BCADRP C[C@](C[NH3+])([NH2+]C[C@H]1CCc2ncnn21)C1CC1 ZINC000631822554 372598516 /nfs/dbraw/zinc/59/85/16/372598516.db2.gz HVDUFSKPHHOYHW-ZYHUDNBSSA-N 2 0 235.335 0.482 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC000631827404 372607951 /nfs/dbraw/zinc/60/79/51/372607951.db2.gz NSAQHQKOXBTBCH-QWRGUYRKSA-N 2 0 249.362 0.743 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@H]1CCO[C@H]1C ZINC000631828820 372609722 /nfs/dbraw/zinc/60/97/22/372609722.db2.gz ZBQAKURCDQBBTH-WDEREUQCSA-N 2 0 200.326 0.953 20 0 BCADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000631829622 372610306 /nfs/dbraw/zinc/61/03/06/372610306.db2.gz WHYUPSGIEMQMJQ-UZEXVOJHSA-N 2 0 210.321 0.835 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCCCO1 ZINC000631830094 372612956 /nfs/dbraw/zinc/61/29/56/372612956.db2.gz JCZFTHDIFCSRCP-LBPRGKRZSA-N 2 0 230.352 0.723 20 0 BCADRP C[C@H]1OCC[C@H]1C[N@H+](C)CCOCC[NH3+] ZINC000631830039 372613150 /nfs/dbraw/zinc/61/31/50/372613150.db2.gz HWNIDJOIWQNUKJ-MNOVXSKESA-N 2 0 216.325 0.319 20 0 BCADRP CN(C(=O)CN1CCCCC[C@@H]([NH3+])C1)C1CC1 ZINC000631834010 372619222 /nfs/dbraw/zinc/61/92/22/372619222.db2.gz NFFXLIMDNDSHOH-LLVKDONJSA-N 2 0 239.363 0.811 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000631835062 372621170 /nfs/dbraw/zinc/62/11/70/372621170.db2.gz LMJRZIRLLKXXDU-NEPJUHHUSA-N 2 0 227.352 0.178 20 0 BCADRP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1C[NH3+] ZINC000631837012 372625787 /nfs/dbraw/zinc/62/57/87/372625787.db2.gz LMGQVIOSZUEUMK-MXWKQRLJSA-N 2 0 225.336 0.134 20 0 BCADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000631836760 372625826 /nfs/dbraw/zinc/62/58/26/372625826.db2.gz GKUSJRHXGZINKJ-GRYCIOLGSA-N 2 0 211.353 0.513 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1C[NH3+] ZINC000631838035 372632254 /nfs/dbraw/zinc/63/22/54/372632254.db2.gz YVHGLLKMGYTBIX-GMTAPVOTSA-N 2 0 235.335 0.292 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1C[NH3+] ZINC000631840842 372638208 /nfs/dbraw/zinc/63/82/08/372638208.db2.gz FYWZKVBBVHYNOX-ZWNOBZJWSA-N 2 0 247.342 0.812 20 0 BCADRP CC(C)NC(=O)N(CCC[NH3+])CCC[NH3+] ZINC000631941470 372700133 /nfs/dbraw/zinc/70/01/33/372700133.db2.gz YCDDXMHQJIYKFS-UHFFFAOYSA-N 2 0 216.329 0.104 20 0 BCADRP C([NH2+][C@]12CCC[C@@H]1C[NH2+]C2)C1CC[NH2+]CC1 ZINC000631868062 372671104 /nfs/dbraw/zinc/67/11/04/372671104.db2.gz VGIKBUIJGLSDKN-OLZOCXBDSA-N 3 0 223.364 0.718 20 0 BCADRP COCCOCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887891 372681554 /nfs/dbraw/zinc/68/15/54/372681554.db2.gz RJACDIWHNFYIIT-OLZOCXBDSA-N 2 0 242.363 0.723 20 0 BCADRP COCCOCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887887 372682259 /nfs/dbraw/zinc/68/22/59/372682259.db2.gz RJACDIWHNFYIIT-CHWSQXEVSA-N 2 0 242.363 0.723 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N2CC([NH+](C)C)C2)CC[N@@H+]1C ZINC000632191338 372800793 /nfs/dbraw/zinc/80/07/93/372800793.db2.gz AQJZPCQKVURZRF-NWDGAFQWSA-N 2 0 239.363 0.489 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]CC1)N[C@H]1CC[NH2+]C1 ZINC000336582678 182019468 /nfs/dbraw/zinc/01/94/68/182019468.db2.gz BGOYNRKTOLJDRM-MNOVXSKESA-N 2 0 225.336 0.244 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000374481939 182017702 /nfs/dbraw/zinc/01/77/02/182017702.db2.gz OPDPWEZAVDIPOP-WOPDTQHZSA-N 2 0 237.347 0.481 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CC12CC[NH2+]CC2 ZINC000368379794 182017718 /nfs/dbraw/zinc/01/77/18/182017718.db2.gz VIUAXJUIPVQYJU-QWRGUYRKSA-N 2 0 237.347 0.387 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000449611417 205493540 /nfs/dbraw/zinc/49/35/40/205493540.db2.gz VPGTUJPVBYOZPI-MWLCHTKSSA-N 2 0 213.325 0.372 20 0 BCADRP O=C(NC1CC[NH2+]CC1)[C@@H]1CCCCC[NH2+]1 ZINC000373531495 182116533 /nfs/dbraw/zinc/11/65/33/182116533.db2.gz UFRJBBMHDNMHAY-NSHDSACASA-N 2 0 225.336 0.387 20 0 BCADRP O=C(NCCC[NH+]1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000062112685 182166414 /nfs/dbraw/zinc/16/64/14/182166414.db2.gz DXZGROIJMLMHLL-GFCCVEGCSA-N 2 0 239.363 0.588 20 0 BCADRP O=C(NCC[NH+]1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000049575454 182184294 /nfs/dbraw/zinc/18/42/94/182184294.db2.gz GVXOGHVZMABGKF-GFCCVEGCSA-N 2 0 239.363 0.588 20 0 BCADRP C[NH2+]CCCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000633952037 373852560 /nfs/dbraw/zinc/85/25/60/373852560.db2.gz UYOUBGHUMJHKBT-PHIMTYICSA-N 2 0 240.351 0.132 20 0 BCADRP O=C(NCC[NH+]1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000042313294 182185733 /nfs/dbraw/zinc/18/57/33/182185733.db2.gz RIGGSRRIHNIQAJ-LLVKDONJSA-N 2 0 225.336 0.341 20 0 BCADRP CC[NH2+]CCCNC(=O)NCC[NH2+]C1CC1 ZINC000634086304 373953824 /nfs/dbraw/zinc/95/38/24/373953824.db2.gz OOZHVPDRPQVNSQ-UHFFFAOYSA-N 2 0 228.340 0.037 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634300634 374127490 /nfs/dbraw/zinc/12/74/90/374127490.db2.gz FZPOEWIRTZXUAB-GHMZBOCLSA-N 2 0 227.352 0.522 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H]2CC[NH2+]2)CC[N@@H+]1C ZINC000634300866 374129623 /nfs/dbraw/zinc/12/96/23/374129623.db2.gz NPHPSUDSRJJCEY-GHMZBOCLSA-N 2 0 225.336 0.147 20 0 BCADRP C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000634270305 374084952 /nfs/dbraw/zinc/08/49/52/374084952.db2.gz MQACQJSQEXICSV-MNOVXSKESA-N 2 0 240.351 0.132 20 0 BCADRP CN(CCC[NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634270275 374084999 /nfs/dbraw/zinc/08/49/99/374084999.db2.gz MEGDZQBZSLHCAE-SNVBAGLBSA-N 2 0 228.340 0.119 20 0 BCADRP C[C@H]1CN(C(=O)NC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000634270307 374085003 /nfs/dbraw/zinc/08/50/03/374085003.db2.gz MQACQJSQEXICSV-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418401926 206018310 /nfs/dbraw/zinc/01/83/10/206018310.db2.gz IFMCRMZPDDLZEX-ZJUUUORDSA-N 2 0 228.340 0.006 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424380338 206039526 /nfs/dbraw/zinc/03/95/26/206039526.db2.gz WWHVBOHXGIPJMS-IVZWLZJFSA-N 2 0 213.325 0.371 20 0 BCADRP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC[NH2+]CC1 ZINC000333705574 182292431 /nfs/dbraw/zinc/29/24/31/182292431.db2.gz RLDXFLGAHOQGLY-LLVKDONJSA-N 2 0 240.351 0.133 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000376528232 182303982 /nfs/dbraw/zinc/30/39/82/182303982.db2.gz UYYBDYOBHBEKIG-UTUOFQBUSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000376528229 182304090 /nfs/dbraw/zinc/30/40/90/182304090.db2.gz UYYBDYOBHBEKIG-IJLUTSLNSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[NH2+]CC1 ZINC000428473046 206060022 /nfs/dbraw/zinc/06/00/22/206060022.db2.gz CXAZZQUQLRSCKJ-QWRGUYRKSA-N 2 0 225.336 0.291 20 0 BCADRP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCCC[NH2+]1 ZINC000368385053 182326105 /nfs/dbraw/zinc/32/61/05/182326105.db2.gz LIDYGTUEWSUEHH-QWRGUYRKSA-N 2 0 237.347 0.387 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000238141583 182329331 /nfs/dbraw/zinc/32/93/31/182329331.db2.gz HRYMNNLCASPINK-QWRGUYRKSA-N 2 0 237.347 0.244 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH2+]C1)C(C)C ZINC000167203741 206145526 /nfs/dbraw/zinc/14/55/26/206145526.db2.gz DAXBNQNQVBASEB-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000368642312 182345898 /nfs/dbraw/zinc/34/58/98/182345898.db2.gz JXRVHCBMLCJCJH-QKFSQAGISA-N 2 0 249.358 0.241 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C1CC[NH2+]CC1 ZINC000522001546 259581648 /nfs/dbraw/zinc/58/16/48/259581648.db2.gz XDHLSQFPUWQLDE-UHFFFAOYSA-N 2 0 227.352 0.429 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H](C)C[NH2+]C ZINC000236846268 168964161 /nfs/dbraw/zinc/96/41/61/168964161.db2.gz CJJIAWJGCFCOPH-ZJUUUORDSA-N 2 0 215.341 0.476 20 0 BCADRP OCC1CC[NH+](CCCn2ccnc2)CC1 ZINC000050104802 183041022 /nfs/dbraw/zinc/04/10/22/183041022.db2.gz MADPSXRKXRYUJA-UHFFFAOYSA-N 2 0 223.320 0.978 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000132022360 169002394 /nfs/dbraw/zinc/00/23/94/169002394.db2.gz XIKPTSLAODTATJ-GHMZBOCLSA-N 2 0 227.352 0.620 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](C)C[NH2+]C ZINC000236911482 169002791 /nfs/dbraw/zinc/00/27/91/169002791.db2.gz CJJIAWJGCFCOPH-NXEZZACHSA-N 2 0 215.341 0.476 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000337515959 169006172 /nfs/dbraw/zinc/00/61/72/169006172.db2.gz QBNZROOBCVYUAX-DCAQKATOSA-N 2 0 227.352 0.700 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000037480482 169007460 /nfs/dbraw/zinc/00/74/60/169007460.db2.gz YAJQVSLYRWOGRO-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NCC[NH+](CC)CC ZINC000037480419 169007745 /nfs/dbraw/zinc/00/77/45/169007745.db2.gz RGQMCIBQWPNPKL-NSHDSACASA-N 2 0 229.368 0.962 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000309768747 169007933 /nfs/dbraw/zinc/00/79/33/169007933.db2.gz JYXDXZFONMMEJC-UWVGGRQHSA-N 2 0 213.325 0.372 20 0 BCADRP O[C@@H](C[NH2+]CCc1ccncc1)C[NH+]1CCCC1 ZINC000037894881 183178893 /nfs/dbraw/zinc/17/88/93/183178893.db2.gz HMBBCQYNGBZSSG-AWEZNQCLSA-N 2 0 249.358 0.670 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[NH+](C)CC1 ZINC000355475033 169068963 /nfs/dbraw/zinc/06/89/63/169068963.db2.gz SZQXMZKVIAOBMH-UHFFFAOYSA-N 2 0 227.352 0.492 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000359314623 169070026 /nfs/dbraw/zinc/07/00/26/169070026.db2.gz DPUDZCJBNXGBBO-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[NH+](C)C1CC1 ZINC000358598465 169071208 /nfs/dbraw/zinc/07/12/08/169071208.db2.gz VJMMTYLSQHSBLR-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1C ZINC000359244593 169072100 /nfs/dbraw/zinc/07/21/00/169072100.db2.gz RBFHUESDKOURJA-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CC ZINC000358939837 169073482 /nfs/dbraw/zinc/07/34/82/169073482.db2.gz UQHAEWXXHGBWRA-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000357421225 169075854 /nfs/dbraw/zinc/07/58/54/169075854.db2.gz SQFICSWDJABNSK-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH2+]C)C1 ZINC000357238595 169078200 /nfs/dbraw/zinc/07/82/00/169078200.db2.gz ILCCHCOJVXXCHK-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000309616760 169065928 /nfs/dbraw/zinc/06/59/28/169065928.db2.gz OACSLOMRDDYWHT-VIFPVBQESA-N 2 0 201.314 0.134 20 0 BCADRP O[C@H](C[NH2+]C[C@@H]1CCCOC1)C[NH+]1CCCC1 ZINC000038045486 183223920 /nfs/dbraw/zinc/22/39/20/183223920.db2.gz OOSJQZDRYSLQPW-QWHCGFSZSA-N 2 0 242.363 0.459 20 0 BCADRP O[C@H](C[NH2+]CCc1ccncc1)C[NH+]1CCCC1 ZINC000037894882 183224009 /nfs/dbraw/zinc/22/40/09/183224009.db2.gz HMBBCQYNGBZSSG-CQSZACIVSA-N 2 0 249.358 0.670 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C[NH2+]CC1CC1 ZINC000226407534 169120347 /nfs/dbraw/zinc/12/03/47/169120347.db2.gz VHTQPWHUULHSFY-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000130889112 169120509 /nfs/dbraw/zinc/12/05/09/169120509.db2.gz HXSHDZUNMOAIBS-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000378204441 169123794 /nfs/dbraw/zinc/12/37/94/169123794.db2.gz WDTBOHHRSFKGGJ-LBPRGKRZSA-N 2 0 245.342 0.536 20 0 BCADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)C[NH+](C)C ZINC000359782344 169125214 /nfs/dbraw/zinc/12/52/14/169125214.db2.gz GENJFNXKYBSEEY-LLVKDONJSA-N 2 0 229.368 0.785 20 0 BCADRP CCC[N@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)NC ZINC000051919245 169171252 /nfs/dbraw/zinc/17/12/52/169171252.db2.gz CJBRIPNVBFOVLM-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP CCC[NH+]1CCC(C[NH2+][C@H](C)CC(N)=O)CC1 ZINC000341897904 169186330 /nfs/dbraw/zinc/18/63/30/169186330.db2.gz MEMZYEHKUZKXKO-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP CCC[NH+]1CCC(CNC(=O)C[NH2+]C)CC1 ZINC000236758900 169186612 /nfs/dbraw/zinc/18/66/12/169186612.db2.gz LMYIHSTUSVFTEX-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)C[NH3+])CC1 ZINC000054342432 169187565 /nfs/dbraw/zinc/18/75/65/169187565.db2.gz YFFSMFALXVCFLU-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP CCC[NH+]1CCC([NH2+]C[C@@H]2COCCO2)CC1 ZINC000038060155 169187923 /nfs/dbraw/zinc/18/79/23/169187923.db2.gz XCMGAQVVSSNPMW-CYBMUJFWSA-N 2 0 242.363 0.866 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000040829656 169188610 /nfs/dbraw/zinc/18/86/10/169188610.db2.gz CESKJUDBPPCNLF-LBPRGKRZSA-N 2 0 239.363 0.729 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000050465040 169188980 /nfs/dbraw/zinc/18/89/80/169188980.db2.gz ONRJSUXRJJPNER-MNOVXSKESA-N 2 0 225.336 0.324 20 0 BCADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC(=O)NC2)CC1 ZINC000111018488 169189121 /nfs/dbraw/zinc/18/91/21/169189121.db2.gz GBDYVFYRTJJYCL-GFCCVEGCSA-N 2 0 239.363 0.729 20 0 BCADRP c1c[nH]c(C[NH2+]CCCC[NH+]2CCOCC2)n1 ZINC000067691299 183326100 /nfs/dbraw/zinc/32/61/00/183326100.db2.gz BLLYEKAWCQGYAF-UHFFFAOYSA-N 2 0 238.335 0.612 20 0 BCADRP CCC[N@@H+]1CCCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000373799141 169193733 /nfs/dbraw/zinc/19/37/33/169193733.db2.gz HGEUDIAFGWLZTP-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000236763757 169195225 /nfs/dbraw/zinc/19/52/25/169195225.db2.gz QHJDCFCQQPSESD-GHMZBOCLSA-N 2 0 225.336 0.420 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC ZINC000358950052 169198269 /nfs/dbraw/zinc/19/82/69/169198269.db2.gz WKZMQCXPNKMQBO-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000236765772 169199032 /nfs/dbraw/zinc/19/90/32/169199032.db2.gz XSLKXFQHIOBEPQ-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236766306 169200095 /nfs/dbraw/zinc/20/00/95/169200095.db2.gz YSRAZLGDMHHHJJ-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP CCCNC(=O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000036780835 169228693 /nfs/dbraw/zinc/22/86/93/169228693.db2.gz BOAIAQZIPTYQLO-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CCCNC(=O)CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000360165256 169217203 /nfs/dbraw/zinc/21/72/03/169217203.db2.gz KVSHXDRMWGRKIG-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP CCCNC(=O)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366557478 169222383 /nfs/dbraw/zinc/22/23/83/169222383.db2.gz JCASGKRIWVDERP-ZDUSSCGKSA-N 2 0 239.363 0.540 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000236787793 169257954 /nfs/dbraw/zinc/25/79/54/169257954.db2.gz FDZNUXQAYVMKDI-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000377803673 169258556 /nfs/dbraw/zinc/25/85/56/169258556.db2.gz YZCUZMNZELPBFI-NEPJUHHUSA-N 2 0 241.379 0.736 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000375633911 169259076 /nfs/dbraw/zinc/25/90/76/169259076.db2.gz DNJCDADCMJKSLT-DGCLKSJQSA-N 2 0 239.363 0.492 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H](C[NH3+])C(C)C ZINC000336738127 169259106 /nfs/dbraw/zinc/25/91/06/169259106.db2.gz KAXHMKNQEKFCNL-SNVBAGLBSA-N 2 0 215.341 0.333 20 0 BCADRP CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074297 169240795 /nfs/dbraw/zinc/24/07/95/169240795.db2.gz KJOIJGQWUCKJRC-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224295281 169246644 /nfs/dbraw/zinc/24/66/44/169246644.db2.gz KJOIJGQWUCKJRC-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]([NH3+])C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000178818600 134315520 /nfs/dbraw/zinc/31/55/20/134315520.db2.gz VTEVNAGCTAXDQD-WDEREUQCSA-N 2 0 227.352 0.666 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1CCC ZINC000359209654 169388338 /nfs/dbraw/zinc/38/83/38/169388338.db2.gz AXJMEYOIVNSUSO-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCO)[C@@H](C)C1 ZINC000221702582 134326165 /nfs/dbraw/zinc/32/61/65/134326165.db2.gz UWJLOANLYIIQCE-WDEREUQCSA-N 2 0 200.326 0.689 20 0 BCADRP C[C@]1(C(=O)N2CC[C@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000180896417 134332095 /nfs/dbraw/zinc/33/20/95/134332095.db2.gz CYJDREJGNSSFQP-ZYHUDNBSSA-N 2 0 225.336 0.326 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000040673764 169452679 /nfs/dbraw/zinc/45/26/79/169452679.db2.gz KQCICCNIEJTDAY-CMPLNLGQSA-N 2 0 227.352 0.714 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000340157388 169501258 /nfs/dbraw/zinc/50/12/58/169501258.db2.gz WEWTUXBSCYNQNY-MXWKQRLJSA-N 2 0 227.352 0.700 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000373830670 169547100 /nfs/dbraw/zinc/54/71/00/169547100.db2.gz DVVISZXDFYOLTR-UMNHJUIQSA-N 2 0 225.336 0.182 20 0 BCADRP CC1(CNC(=O)[C@H]2CCCC[NH2+]2)CC[NH2+]CC1 ZINC000183363510 134350993 /nfs/dbraw/zinc/35/09/93/134350993.db2.gz QSRQAMDOTUJWJE-LLVKDONJSA-N 2 0 239.363 0.634 20 0 BCADRP CC[C@]1(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CCC[NH2+]1 ZINC000184075033 134357565 /nfs/dbraw/zinc/35/75/65/134357565.db2.gz XBQLLIWWLCYNLL-NTZNESFSSA-N 2 0 239.363 0.727 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000165323458 535472335 /nfs/dbraw/zinc/47/23/35/535472335.db2.gz FSHLWTHCSNXGKC-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]2CSCN2)CC[C@@H]1[NH3+] ZINC000648124607 383842686 /nfs/dbraw/zinc/84/26/86/383842686.db2.gz AAOWLZRTOJKGFQ-UTLUCORTSA-N 2 0 243.376 0.235 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCCC[NH+](C)C ZINC000069838890 383849095 /nfs/dbraw/zinc/84/90/95/383849095.db2.gz WIGISLMGKHHVNT-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000449326001 383861275 /nfs/dbraw/zinc/86/12/75/383861275.db2.gz RJMYASGTQBVNIK-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812660 383863077 /nfs/dbraw/zinc/86/30/77/383863077.db2.gz KKPQCLFVBATCJJ-DGCLKSJQSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@H](CNC(=O)c1c[nH+]ccc1N)[NH+](C)C ZINC000088112525 383880698 /nfs/dbraw/zinc/88/06/98/383880698.db2.gz LKQVGMAFRXVMQM-MRVPVSSYSA-N 2 0 222.292 0.344 20 0 BCADRP C[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000037826067 383864571 /nfs/dbraw/zinc/86/45/71/383864571.db2.gz KKYRHDIXKDDGJY-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000131862303 383873583 /nfs/dbraw/zinc/87/35/83/383873583.db2.gz XVXNZRRLRBIHKC-GUBZILKMSA-N 2 0 213.325 0.179 20 0 BCADRP COC(=O)CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000069627116 383835276 /nfs/dbraw/zinc/83/52/76/383835276.db2.gz XRQCKMKAKUPBFM-BDAKNGLRSA-N 2 0 200.282 0.219 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C1([NH3+])CC1)c1ccccc1 ZINC000088130749 383881881 /nfs/dbraw/zinc/88/18/81/383881881.db2.gz VDILZFJZWMTDEF-LBPRGKRZSA-N 2 0 247.342 0.897 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@H](C)Cn1ccnc1 ZINC000037621627 383991088 /nfs/dbraw/zinc/99/10/88/383991088.db2.gz CTVWITCYDLSTCQ-ZYHUDNBSSA-N 2 0 238.335 0.905 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[C@H]1[NH3+] ZINC000648126622 383992590 /nfs/dbraw/zinc/99/25/90/383992590.db2.gz OYTSPHWXOWACNG-OOCWMUITSA-N 2 0 237.347 0.323 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000357234019 383964436 /nfs/dbraw/zinc/96/44/36/383964436.db2.gz AFSNEXVQTZKIGB-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](C)[NH3+] ZINC000394296554 383971093 /nfs/dbraw/zinc/97/10/93/383971093.db2.gz QPVMHNRUQIBAEF-TUAOUCFPSA-N 2 0 211.353 0.892 20 0 BCADRP C[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000070946071 383972671 /nfs/dbraw/zinc/97/26/71/383972671.db2.gz ZCHMETFJKSZINN-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C[NH3+])C1 ZINC000357237276 383972747 /nfs/dbraw/zinc/97/27/47/383972747.db2.gz FLJVPDBLBPMSSG-MNOVXSKESA-N 2 0 227.352 0.381 20 0 BCADRP C[NH+](C)CCOc1ccc(NC(=O)C[NH3+])cc1 ZINC000037766027 384013083 /nfs/dbraw/zinc/01/30/83/384013083.db2.gz UHBXPKBBEQQPHE-UHFFFAOYSA-N 2 0 237.303 0.524 20 0 BCADRP C[C@]1(c2nc([C@H]3CCC[NH2+]3)no2)CC[NH2+]C1 ZINC000647156989 384043172 /nfs/dbraw/zinc/04/31/72/384043172.db2.gz ZIIIHBGBDUQWFI-KCJUWKMLSA-N 2 0 222.292 0.745 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)CC[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000648127732 384053658 /nfs/dbraw/zinc/05/36/58/384053658.db2.gz UQGFMBNISOGHFZ-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)[C@H]1C ZINC000648127728 384054006 /nfs/dbraw/zinc/05/40/06/384054006.db2.gz UFYGFMVANOARFT-GUBZILKMSA-N 2 0 225.336 0.193 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186843846 384054357 /nfs/dbraw/zinc/05/43/57/384054357.db2.gz LZYDPAJLMKJWID-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)NCC1([NH3+])CCC1 ZINC000449383128 384109328 /nfs/dbraw/zinc/10/93/28/384109328.db2.gz FGDSNVKJEWEARX-QWRGUYRKSA-N 2 0 239.363 0.892 20 0 BCADRP C[N@H+](C[C@H](O)CNC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000310226252 384127983 /nfs/dbraw/zinc/12/79/83/384127983.db2.gz GVPFZPCPERZOSH-QWHCGFSZSA-N 2 0 241.379 0.125 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000237356482 384157891 /nfs/dbraw/zinc/15/78/91/384157891.db2.gz APQXCMJBLDLCJH-GHMZBOCLSA-N 2 0 241.379 0.688 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)CC1([NH3+])CCC1 ZINC000648141462 384171726 /nfs/dbraw/zinc/17/17/26/384171726.db2.gz ORVPFVVIVFWGOA-UHFFFAOYSA-N 2 0 227.352 0.892 20 0 BCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC[NH3+] ZINC000237400497 384172011 /nfs/dbraw/zinc/17/20/11/384172011.db2.gz YYUZBYGLQPNPIQ-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000648137850 384158516 /nfs/dbraw/zinc/15/85/16/384158516.db2.gz OXKAJGLIKKBMJF-SFTQSGBHSA-N 2 0 249.358 0.054 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227805633 134395479 /nfs/dbraw/zinc/39/54/79/134395479.db2.gz GTMBDMZHFQKCBL-OUAUKWLOSA-N 2 0 227.352 0.570 20 0 BCADRP O=C(C1C[NH2+]C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000336575794 384165715 /nfs/dbraw/zinc/16/57/15/384165715.db2.gz MNDPTLLSLFPNIO-GFCCVEGCSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)C1([NH3+])CCCC1 ZINC000648139734 384166492 /nfs/dbraw/zinc/16/64/92/384166492.db2.gz IEDHHKBEMBOYBD-SNVBAGLBSA-N 2 0 227.352 0.892 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000178405234 384167101 /nfs/dbraw/zinc/16/71/01/384167101.db2.gz PZSOWNOOFPTANV-STQMWFEESA-N 2 0 247.342 0.364 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648139979 384169449 /nfs/dbraw/zinc/16/94/49/384169449.db2.gz WMOFRLMOXKJCJW-QJPTWQEYSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000648140835 384171208 /nfs/dbraw/zinc/17/12/08/384171208.db2.gz MYAUBPVHJUREBL-NAKRPEOUSA-N 2 0 243.326 0.191 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000163233038 384184581 /nfs/dbraw/zinc/18/45/81/384184581.db2.gz WFMGPJIAHQXTBX-GWCFXTLKSA-N 2 0 247.342 0.955 20 0 BCADRP C[NH+]1CCC(C[NH2+]Cc2cn[nH]c2)CC1 ZINC000054243275 384203017 /nfs/dbraw/zinc/20/30/17/384203017.db2.gz PYEKUVZPFQBIIW-UHFFFAOYSA-N 2 0 208.309 0.841 20 0 BCADRP C[C@H](C(=O)N(C)C)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336599575 384206095 /nfs/dbraw/zinc/20/60/95/384206095.db2.gz PJVJKXVOIMNZFO-YPMHNXCESA-N 2 0 239.363 0.491 20 0 BCADRP Cc1cnccc1NC(=O)[C@H]1CSCN1 ZINC000082523264 384234574 /nfs/dbraw/zinc/23/45/74/384234574.db2.gz ZRTZRRFPRCMXJY-SECBINFHSA-N 2 0 223.301 0.991 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)co1 ZINC000336601207 384212701 /nfs/dbraw/zinc/21/27/01/384212701.db2.gz IRTHGIRLKRTNQT-VHSXEESVSA-N 2 0 237.303 0.738 20 0 BCADRP C[C@@H](C(=O)NCC[NH3+])[NH+]1CCCCCC1 ZINC000237469349 384219358 /nfs/dbraw/zinc/21/93/58/384219358.db2.gz NYXFSUYLJGMNNG-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)C1([NH3+])CCCC1 ZINC000648144313 384249041 /nfs/dbraw/zinc/24/90/41/384249041.db2.gz DXMGDPCQRLWQJP-VIFPVBQESA-N 2 0 213.325 0.502 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])[N@H+](C)C1CC1 ZINC000235484373 384249787 /nfs/dbraw/zinc/24/97/87/384249787.db2.gz KKKUIRQKPRMSLH-UTLUCORTSA-N 2 0 227.352 0.569 20 0 BCADRP C[C@@]1(C(=O)N[C@@H](C[NH3+])C2CC2)CCCC[NH2+]1 ZINC000237513369 384257963 /nfs/dbraw/zinc/25/79/63/384257963.db2.gz DNWAHJDCTGYKQX-JQWIXIFHSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@]1(C(=O)N[C@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000237515158 384258378 /nfs/dbraw/zinc/25/83/78/384258378.db2.gz LLEFQFFGYPFWEU-CMPLNLGQSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000647506563 384297203 /nfs/dbraw/zinc/29/72/03/384297203.db2.gz RZLBQRHDAKBCBF-LPWJVIDDSA-N 3 0 241.379 0.423 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)CCCC[NH3+])C[C@H]1C[NH3+] ZINC000648179696 384350401 /nfs/dbraw/zinc/35/04/01/384350401.db2.gz SKTRYGXJFUCDRP-GRYCIOLGSA-N 2 0 241.379 0.947 20 0 BCADRP CC[N@H+](C)CCNC(=O)c1coc(C[NH3+])c1 ZINC000188132264 384362662 /nfs/dbraw/zinc/36/26/62/384362662.db2.gz UHEKSOULXSBZRP-UHFFFAOYSA-N 2 0 225.292 0.420 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC000335603045 384372090 /nfs/dbraw/zinc/37/20/90/384372090.db2.gz ILZPUTYEAWIJEO-SNVBAGLBSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)CCC(C)(C)[NH3+] ZINC000648144902 384409191 /nfs/dbraw/zinc/40/91/91/384409191.db2.gz GQZWXTBAJBDSBF-YUMQZZPRSA-N 2 0 201.314 0.356 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000248883421 384409355 /nfs/dbraw/zinc/40/93/55/384409355.db2.gz TVILRYQEMNMYLR-GMXVVIOVSA-N 2 0 239.363 0.775 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000237885196 384420214 /nfs/dbraw/zinc/42/02/14/384420214.db2.gz DXYPPPXONOWGSV-RYUDHWBXSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@]1(C(=O)N[C@H](C[NH3+])C2CC2)CCCC[NH2+]1 ZINC000237769463 384375519 /nfs/dbraw/zinc/37/55/19/384375519.db2.gz DNWAHJDCTGYKQX-ZYHUDNBSSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC1CC[NH+](C)CC1 ZINC000069840022 384386559 /nfs/dbraw/zinc/38/65/59/384386559.db2.gz IUYZSCFFPSDBSC-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]1CCC[N@H+](CCNC(=O)CC(C)(C)[NH3+])C1 ZINC000178703012 384389228 /nfs/dbraw/zinc/38/92/28/384389228.db2.gz ZQQOSEASRYKMAS-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H](C)[C@H](C)[NH3+])C1CC1 ZINC000248983188 384445821 /nfs/dbraw/zinc/44/58/21/384445821.db2.gz FXERRLMPWAGLDD-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN(C(C)C)C1COC1 ZINC000566425956 384447502 /nfs/dbraw/zinc/44/75/02/384447502.db2.gz JOSXHPUVFRPFEG-GFCCVEGCSA-N 2 0 230.352 0.408 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H](C)[NH3+] ZINC000648145427 384448523 /nfs/dbraw/zinc/44/85/23/384448523.db2.gz ROEUPIVLLDFJLA-SGIHWFKDSA-N 2 0 213.325 0.179 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000565003867 384456425 /nfs/dbraw/zinc/45/64/25/384456425.db2.gz LNCYBWQWHOUDEJ-IVZWLZJFSA-N 2 0 215.341 0.617 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C[NH+](C)C)C1 ZINC000175399681 384437415 /nfs/dbraw/zinc/43/74/15/384437415.db2.gz KAODSIGJUYDHDF-NSHDSACASA-N 2 0 227.352 0.491 20 0 BCADRP C(C[N@@H+]1CCC2(CCC2)C1)N1CC[NH2+]CC1 ZINC000335662546 384469942 /nfs/dbraw/zinc/46/99/42/384469942.db2.gz GONRDLLBAAIIGU-UHFFFAOYSA-N 2 0 223.364 0.768 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000565005385 384471087 /nfs/dbraw/zinc/47/10/87/384471087.db2.gz SLQFJMQDODNWJB-JBLDHEPKSA-N 2 0 235.331 0.928 20 0 BCADRP CCCC[NH+]1CCC(NC(=O)C[NH3+])CC1 ZINC000037005004 384471419 /nfs/dbraw/zinc/47/14/19/384471419.db2.gz RPGXMPWDJBYMFG-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180672 384474992 /nfs/dbraw/zinc/47/49/92/384474992.db2.gz LVTWCCXHAHZMTR-SNVBAGLBSA-N 2 0 239.363 0.905 20 0 BCADRP [NH3+]C[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000178454342 384476544 /nfs/dbraw/zinc/47/65/44/384476544.db2.gz QMLHQFXUVKTPHK-VXGBXAGGSA-N 2 0 233.315 0.207 20 0 BCADRP COC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000569595762 384486115 /nfs/dbraw/zinc/48/61/15/384486115.db2.gz UXUHOSPDLBXANO-OLZOCXBDSA-N 2 0 244.379 0.704 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000249007222 384458489 /nfs/dbraw/zinc/45/84/89/384458489.db2.gz JEMAQFPESHBLTH-FIQHERPVSA-N 2 0 241.379 0.959 20 0 BCADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCO)C1 ZINC000304287090 384511701 /nfs/dbraw/zinc/51/17/01/384511701.db2.gz AYAWNAVKPOGJDQ-NSHDSACASA-N 2 0 200.326 0.642 20 0 BCADRP C[NH+](C)CCCNC(=O)C[NH2+]CC1CC1 ZINC000037478133 384503056 /nfs/dbraw/zinc/50/30/56/384503056.db2.gz IMHWQQOKEBLQKS-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648181028 384491559 /nfs/dbraw/zinc/49/15/59/384491559.db2.gz XDGGJURKTSLITG-JTQLQIEISA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000236616369 384534279 /nfs/dbraw/zinc/53/42/79/384534279.db2.gz XPTNBCJVRVRHJM-DCAQKATOSA-N 2 0 239.363 0.761 20 0 BCADRP C[NH+](C)C[C@@H]1CC[N@H+](CCn2ccnc2)C1 ZINC000161854097 384535338 /nfs/dbraw/zinc/53/53/38/384535338.db2.gz ISZYSOWMFFIVMH-LBPRGKRZSA-N 2 0 222.336 0.767 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](C)CC1 ZINC000048112401 384513365 /nfs/dbraw/zinc/51/33/65/384513365.db2.gz OCDDDRIZMXDIOF-SNVBAGLBSA-N 2 0 213.325 0.276 20 0 BCADRP O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648147292 384521591 /nfs/dbraw/zinc/52/15/91/384521591.db2.gz CQTGKKLRKOKXBF-KKOKHZNYSA-N 2 0 237.347 0.385 20 0 BCADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000569605692 384524964 /nfs/dbraw/zinc/52/49/64/384524964.db2.gz PFENRCJMIBRCSD-WRWGMCAJSA-N 3 0 211.353 0.986 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000236595447 384529810 /nfs/dbraw/zinc/52/98/10/384529810.db2.gz UEOJCVZVTPDXAC-GHMZBOCLSA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)([NH3+])CNC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000561182306 384546570 /nfs/dbraw/zinc/54/65/70/384546570.db2.gz IDRZJDWMHSDNFL-GFCCVEGCSA-N 2 0 249.358 0.800 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373039254 384551072 /nfs/dbraw/zinc/55/10/72/384551072.db2.gz BCEKZYUZCSYOOZ-VXGBXAGGSA-N 2 0 239.363 0.811 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000561195007 384555007 /nfs/dbraw/zinc/55/50/07/384555007.db2.gz QPHNZJBZOURPED-YPMHNXCESA-N 2 0 247.342 0.727 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000151272232 384558307 /nfs/dbraw/zinc/55/83/07/384558307.db2.gz WCKSNFUBSXSZKU-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH2+]C ZINC000236753624 384571632 /nfs/dbraw/zinc/57/16/32/384571632.db2.gz QMXKXSXFAPIASS-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@H]1CCN(C(=O)[C@H]2CCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000648177661 384572972 /nfs/dbraw/zinc/57/29/72/384572972.db2.gz MDBITOVOIIZNDV-GARJFASQSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000517932970 384581549 /nfs/dbraw/zinc/58/15/49/384581549.db2.gz ZNYSJAGGTHDYAX-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)C[C@@H]([NH3+])c1noc(C2(C)C[NH2+]C2)n1 ZINC000517935364 384582945 /nfs/dbraw/zinc/58/29/45/384582945.db2.gz RPNLCCBZPDQPDJ-MRVPVSSYSA-N 2 0 224.308 0.976 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000236842645 384588638 /nfs/dbraw/zinc/58/86/38/384588638.db2.gz FWKKYXQZVJLHJX-LLVKDONJSA-N 2 0 229.368 0.818 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000236843205 384588863 /nfs/dbraw/zinc/58/88/63/384588863.db2.gz XZFBUFPKESXZCB-GFCCVEGCSA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000306067012 384567883 /nfs/dbraw/zinc/56/78/83/384567883.db2.gz YYWMKFXGOAGNRW-WDEREUQCSA-N 2 0 245.367 0.197 20 0 BCADRP C[NH+](C)CCCNCc1ccc(CO)o1 ZINC000081546867 384621999 /nfs/dbraw/zinc/62/19/99/384621999.db2.gz QJQDFJWOXWDXPU-UHFFFAOYSA-N 2 0 212.293 0.813 20 0 BCADRP CC(C)[C@H]([NH2+]CCN1CC[NH2+]CC1)C1CC1 ZINC000564821997 384622611 /nfs/dbraw/zinc/62/26/11/384622611.db2.gz AVMTWXHRNANQHZ-ZDUSSCGKSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000037889556 384627303 /nfs/dbraw/zinc/62/73/03/384627303.db2.gz FMVKFIHXHOEPHD-ZYHUDNBSSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[C@@H]1C[NH3+] ZINC000648177803 384591918 /nfs/dbraw/zinc/59/19/18/384591918.db2.gz UVZLAVITPOJKOQ-MJDLHHQISA-N 2 0 237.347 0.180 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCCCC[NH3+] ZINC000040832506 384596500 /nfs/dbraw/zinc/59/65/00/384596500.db2.gz SNWLLGQDCHWERT-JTQLQIEISA-N 2 0 201.314 0.359 20 0 BCADRP CC[C@](C)(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)OC ZINC000319905314 384597204 /nfs/dbraw/zinc/59/72/04/384597204.db2.gz QMQYPWQLFJWBCI-SDDRHHMPSA-N 2 0 212.337 0.953 20 0 BCADRP CNC(=O)C(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000183838505 384599940 /nfs/dbraw/zinc/59/99/40/384599940.db2.gz SMGXMCTUQBQUPT-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000449597392 384665441 /nfs/dbraw/zinc/66/54/41/384665441.db2.gz FCJIWGLDVACMJV-STQMWFEESA-N 2 0 247.342 0.554 20 0 BCADRP COC[C@H](C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000045695883 384666310 /nfs/dbraw/zinc/66/63/10/384666310.db2.gz WDKAXNKSKSYPSD-VXGBXAGGSA-N 2 0 230.352 0.315 20 0 BCADRP CCn1ccnc1CNCC(F)(F)CN ZINC000556938282 384667856 /nfs/dbraw/zinc/66/78/56/384667856.db2.gz NYKUXGIXHLJKDT-UHFFFAOYSA-N 2 0 218.251 0.587 20 0 BCADRP C[C@@]1(C[N@@H+]2CC[C@H](n3cncn3)C2)CC[NH2+]C1 ZINC000647538498 384668861 /nfs/dbraw/zinc/66/88/61/384668861.db2.gz VNUKFGKOJBGBLN-NWDGAFQWSA-N 2 0 235.335 0.525 20 0 BCADRP c1nc(N[C@@H]2CC[NH2+]C2)cc(N2CCOCC2)n1 ZINC000258703414 384636244 /nfs/dbraw/zinc/63/62/44/384636244.db2.gz RPTFOPGRFZRUQC-SNVBAGLBSA-N 2 0 249.318 0.087 20 0 BCADRP Cn1ccnc1CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647532785 384640358 /nfs/dbraw/zinc/64/03/58/384640358.db2.gz DGPLWJLBTDQAHT-MNOVXSKESA-N 2 0 220.320 0.604 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647534773 384645701 /nfs/dbraw/zinc/64/57/01/384645701.db2.gz VWAOXUKJEZUUMG-AGIUHOORSA-N 2 0 223.364 0.670 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647534776 384646843 /nfs/dbraw/zinc/64/68/43/384646843.db2.gz VWAOXUKJEZUUMG-UPJWGTAASA-N 2 0 223.364 0.670 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1CC1CC[NH2+]CC1 ZINC000647540016 384679762 /nfs/dbraw/zinc/67/97/62/384679762.db2.gz RJGFTHGMXOBIGU-RYUDHWBXSA-N 2 0 229.343 0.618 20 0 BCADRP O=C(NCCC[NH+]1CCCCCC1)[C@H]1CC[NH2+]1 ZINC000444173109 384681399 /nfs/dbraw/zinc/68/13/99/384681399.db2.gz SUOPZWYAEBYYAO-GFCCVEGCSA-N 2 0 239.363 0.731 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449604197 384691270 /nfs/dbraw/zinc/69/12/70/384691270.db2.gz SOTFTZWSUHUCGQ-RKDXNWHRSA-N 2 0 201.314 0.180 20 0 BCADRP CN(CC[NH3+])C(=O)c1ccccc1CC[NH3+] ZINC000564462176 384693937 /nfs/dbraw/zinc/69/39/37/384693937.db2.gz JCNMEOCKNYIDJL-UHFFFAOYSA-N 2 0 221.304 0.219 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000449606833 384702480 /nfs/dbraw/zinc/70/24/80/384702480.db2.gz ZZGKKDXAQJPVBF-MPPDQPJWSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[NH3+] ZINC000086932089 384719796 /nfs/dbraw/zinc/71/97/96/384719796.db2.gz NAUBAUIABXHOLK-NXEZZACHSA-N 2 0 211.309 0.030 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC[NH2+]C1 ZINC000368565552 384774281 /nfs/dbraw/zinc/77/42/81/384774281.db2.gz AZWGXHORMDIGDZ-LOWVWBTDSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000647546460 384730083 /nfs/dbraw/zinc/73/00/83/384730083.db2.gz LDZKPNUFNRZDGT-GRYCIOLGSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@]1(CNC[C@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000647546530 384731267 /nfs/dbraw/zinc/73/12/67/384731267.db2.gz OBRCRXWLKGLBFA-VXGBXAGGSA-N 2 0 211.353 0.718 20 0 BCADRP C1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[NH2+]1 ZINC000647546791 384733099 /nfs/dbraw/zinc/73/30/99/384733099.db2.gz BMVSODYCIXCVSY-KXNHARMFSA-N 3 0 209.337 0.326 20 0 BCADRP C1[NH2+]C[C@@H]2C[C@H]([NH2+][C@@H]3CCCNC3)CC[C@@H]12 ZINC000647546846 384733149 /nfs/dbraw/zinc/73/31/49/384733149.db2.gz DHLZCDWZJQAELI-WUHRBBMRSA-N 2 0 223.364 0.716 20 0 BCADRP C1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[NH2+]1 ZINC000647546790 384733289 /nfs/dbraw/zinc/73/32/89/384733289.db2.gz BMVSODYCIXCVSY-KKOKHZNYSA-N 3 0 209.337 0.326 20 0 BCADRP CC(C)[C@H](C(=O)N(C)CC[NH+](C)C)[NH+](C)C ZINC000151723991 384733587 /nfs/dbraw/zinc/73/35/87/384733587.db2.gz NAXFGOZBNOWIQJ-LLVKDONJSA-N 2 0 229.368 0.593 20 0 BCADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000647546712 384733459 /nfs/dbraw/zinc/73/34/59/384733459.db2.gz XHASCUMQPLOKDT-YIYPIFLZSA-N 3 0 237.391 0.964 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@H](CC[NH3+])C(F)F)C1 ZINC000647546837 384733480 /nfs/dbraw/zinc/73/34/80/384733480.db2.gz DETGIBWEZIXHHN-DJLDLDEBSA-N 2 0 221.295 0.557 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000647546816 384733866 /nfs/dbraw/zinc/73/38/66/384733866.db2.gz CQCLIEKUQGEONU-NNYUYHANSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000647547415 384736015 /nfs/dbraw/zinc/73/60/15/384736015.db2.gz VOPCNIACCURKTO-XQQFMLRXSA-N 2 0 225.380 0.964 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648177996 384737369 /nfs/dbraw/zinc/73/73/69/384737369.db2.gz GXURUSXXJUOOFK-GHMZBOCLSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H]1CNC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000647547017 384737713 /nfs/dbraw/zinc/73/77/13/384737713.db2.gz KXRBTOQLEMBYIU-NWDGAFQWSA-N 2 0 225.380 0.964 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000647547206 384737931 /nfs/dbraw/zinc/73/79/31/384737931.db2.gz RBYMPNPUYFBKMD-NNYUYHANSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648186102 384738515 /nfs/dbraw/zinc/73/85/15/384738515.db2.gz NQNIICCMWHATPO-QWRGUYRKSA-N 2 0 239.363 0.905 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CC[NH2+]1 ZINC000648186544 384747348 /nfs/dbraw/zinc/74/73/48/384747348.db2.gz XJWXOJSTGWDVKJ-NXEZZACHSA-N 2 0 223.320 0.139 20 0 BCADRP CC(C)[C@@H](C(=O)N1CCC[N@H+](C)CC1)[C@@H](C)[NH3+] ZINC000335495755 384748219 /nfs/dbraw/zinc/74/82/19/384748219.db2.gz LPASZWRVVVUOIF-VXGBXAGGSA-N 2 0 241.379 0.770 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN[C@@H]2CCC[NH2+]C2)C1 ZINC000647548052 384749610 /nfs/dbraw/zinc/74/96/10/384749610.db2.gz SUZGKRIHZODXFT-AEJSXWLSSA-N 2 0 201.289 0.028 20 0 BCADRP C[C@H]1C[NH2+]C[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000647548030 384750055 /nfs/dbraw/zinc/75/00/55/384750055.db2.gz SEYYVZJVNVLPDY-YTWAJWBKSA-N 2 0 215.316 0.274 20 0 BCADRP C1[C@@H]([NH2+][C@H]2CCCNC2)C12CC[NH2+]CC2 ZINC000647547876 384750241 /nfs/dbraw/zinc/75/02/41/384750241.db2.gz JURPRBZPELXCIE-WDEREUQCSA-N 2 0 209.337 0.470 20 0 BCADRP C[C@H]1C[NH2+]C[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000647548029 384750309 /nfs/dbraw/zinc/75/03/09/384750309.db2.gz SEYYVZJVNVLPDY-RCWTZXSCSA-N 2 0 215.316 0.274 20 0 BCADRP CCOC(=O)CC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325658 384751327 /nfs/dbraw/zinc/75/13/27/384751327.db2.gz FDLNXOYOGRMRAK-NXEZZACHSA-N 2 0 214.309 0.466 20 0 BCADRP CCOC(=O)CC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601325660 384752544 /nfs/dbraw/zinc/75/25/44/384752544.db2.gz FDLNXOYOGRMRAK-VHSXEESVSA-N 2 0 214.309 0.466 20 0 BCADRP [NH3+]C/C=C/CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000644198963 384756506 /nfs/dbraw/zinc/75/65/06/384756506.db2.gz HZGZURWUPNCWGS-HIHHVFROSA-N 2 0 226.324 0.070 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000335435550 384760842 /nfs/dbraw/zinc/76/08/42/384760842.db2.gz UECSLNILOMBOTN-ZJUUUORDSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H](CNC(=O)C1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000083883711 384772786 /nfs/dbraw/zinc/77/27/86/384772786.db2.gz SPNLDCJBCJLBTK-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP COC(=O)CCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000126977788 384835031 /nfs/dbraw/zinc/83/50/31/384835031.db2.gz MOERWAKBVNUDOM-NXEZZACHSA-N 2 0 214.309 0.609 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC1CC[NH+](C)CC1 ZINC000101522400 384783898 /nfs/dbraw/zinc/78/38/98/384783898.db2.gz RIVPKMFRIXJODF-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP [NH3+]CCOCCN1CCC[C@H]1C[NH+]1CCCC1 ZINC000357083272 384786149 /nfs/dbraw/zinc/78/61/49/384786149.db2.gz OSKDKEPQFXPIEB-ZDUSSCGKSA-N 2 0 241.379 0.522 20 0 BCADRP CC1(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C[NH2+]C1 ZINC000335057582 384786470 /nfs/dbraw/zinc/78/64/70/384786470.db2.gz ITNHPRIXWLTERH-WDEREUQCSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000648188093 384799836 /nfs/dbraw/zinc/79/98/36/384799836.db2.gz RIEIBJIRPLORJI-HRDYMLBCSA-N 2 0 215.341 0.602 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)CC(C)(C)[NH3+] ZINC000648188070 384800018 /nfs/dbraw/zinc/80/00/18/384800018.db2.gz QFZXLKPTJSNFPZ-SFYZADRCSA-N 2 0 201.314 0.356 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000648188092 384800161 /nfs/dbraw/zinc/80/01/61/384800161.db2.gz RIEIBJIRPLORJI-DJLDLDEBSA-N 2 0 215.341 0.602 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C1([NH3+])CCCC1 ZINC000648187914 384800210 /nfs/dbraw/zinc/80/02/10/384800210.db2.gz CGMXHSBJTAXIOJ-DTWKUNHWSA-N 2 0 213.325 0.500 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C[NH2+]CC1CC1 ZINC000648188126 384800782 /nfs/dbraw/zinc/80/07/82/384800782.db2.gz TWBMOAOEQBVWKZ-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000648190236 384802965 /nfs/dbraw/zinc/80/29/65/384802965.db2.gz JQGWMVYUSOJLAT-MEWQQHAOSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccnc(C[NH3+])c1 ZINC000648190259 384803189 /nfs/dbraw/zinc/80/31/89/384803189.db2.gz LFOXPTZLNANDSQ-IUCAKERBSA-N 2 0 236.319 0.396 20 0 BCADRP CCN(CCO)CC[NH2+]C[C@@H]1C[C@H]1C ZINC000308626047 384876639 /nfs/dbraw/zinc/87/66/39/384876639.db2.gz WINFHVFBQNTGQD-MNOVXSKESA-N 2 0 200.326 0.546 20 0 BCADRP [NH3+]CCC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648205719 384841536 /nfs/dbraw/zinc/84/15/36/384841536.db2.gz MDXBWNSZTKGZDU-VIFPVBQESA-N 2 0 211.309 0.126 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449661073 384841749 /nfs/dbraw/zinc/84/17/49/384841749.db2.gz ZAMNIGUKKGZCCA-WCBMZHEXSA-N 2 0 249.305 0.617 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648205616 384842023 /nfs/dbraw/zinc/84/20/23/384842023.db2.gz JTZDUZUEUOWPLJ-UWVGGRQHSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423379336 384848606 /nfs/dbraw/zinc/84/86/06/384848606.db2.gz XEXITHFQPPIKLN-QCNOEVLYSA-N 2 0 211.353 0.986 20 0 BCADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C(C)(C)[NH3+] ZINC000236934976 384849723 /nfs/dbraw/zinc/84/97/23/384849723.db2.gz CJELPYBDEFPZNX-SNVBAGLBSA-N 2 0 245.367 0.197 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648210094 384852258 /nfs/dbraw/zinc/85/22/58/384852258.db2.gz JTZDUZUEUOWPLJ-ZJUUUORDSA-N 2 0 225.336 0.515 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@H]1CC[NH2+]1 ZINC000648210327 384855329 /nfs/dbraw/zinc/85/53/29/384855329.db2.gz PLFSWCDWOAMNHG-NXEZZACHSA-N 2 0 223.320 0.139 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC000104448488 384855339 /nfs/dbraw/zinc/85/53/39/384855339.db2.gz KYDUPEVSESBOQM-SNVBAGLBSA-N 2 0 239.363 0.666 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000568628867 384950893 /nfs/dbraw/zinc/95/08/93/384950893.db2.gz HJLUGTLUHWSANP-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP Fc1cccc(C[NH2+]C[C@H]2CNCCO2)c1 ZINC000259018718 384955285 /nfs/dbraw/zinc/95/52/85/384955285.db2.gz YEHXXMRZDGSLFS-GFCCVEGCSA-N 2 0 224.279 0.904 20 0 BCADRP Fc1ccccc1CNC[C@H]1C[NH2+]CCO1 ZINC000258973352 384955540 /nfs/dbraw/zinc/95/55/40/384955540.db2.gz TYHSYIFJVMMDQV-LLVKDONJSA-N 2 0 224.279 0.904 20 0 BCADRP CC[N@H+](C[C@@H](O)CN(C)CCOC)C1CC1 ZINC000381042249 384897679 /nfs/dbraw/zinc/89/76/79/384897679.db2.gz GHJZTCRSIBGCTL-LBPRGKRZSA-N 2 0 230.352 0.410 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000491861383 384906701 /nfs/dbraw/zinc/90/67/01/384906701.db2.gz AMKIUFAVMHFNCR-WAYWQWQTSA-N 2 0 239.363 0.657 20 0 BCADRP C[C@H]([NH3+])CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000251113484 384909123 /nfs/dbraw/zinc/90/91/23/384909123.db2.gz PKNXUJDEJKECSK-RYUDHWBXSA-N 2 0 211.353 0.751 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000647603346 384920506 /nfs/dbraw/zinc/92/05/06/384920506.db2.gz RJVYJMIPTYSGHN-OUAUKWLOSA-N 2 0 225.336 0.276 20 0 BCADRP CC(C)[C@H]1CNCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000257798690 384926957 /nfs/dbraw/zinc/92/69/57/384926957.db2.gz WLMFTTYNVJCTJP-CYBMUJFWSA-N 2 0 225.380 0.916 20 0 BCADRP C[NH2+]Cc1cccc(NC(=O)[C@H](C)[NH3+])c1 ZINC000237107880 384927135 /nfs/dbraw/zinc/92/71/35/384927135.db2.gz WPVODTLUMIXHFU-QMMMGPOBSA-N 2 0 207.277 0.692 20 0 BCADRP C[N@H+](CCNC(=O)c1c[nH+]ccc1N)C1CC1 ZINC000127669648 384929579 /nfs/dbraw/zinc/92/95/79/384929579.db2.gz DTMHYMOXXGCULF-UHFFFAOYSA-N 2 0 234.303 0.488 20 0 BCADRP CC(C)[C@@H]1CNCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000257773221 384929798 /nfs/dbraw/zinc/92/97/98/384929798.db2.gz DSKSEXCKEKXRMT-OLZOCXBDSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@H](O)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000644523466 384936270 /nfs/dbraw/zinc/93/62/70/384936270.db2.gz KALYEYRKZJDYJV-NSHDSACASA-N 2 0 216.325 0.069 20 0 BCADRP C[C@H](C(=O)NCC[NH+](C)C)[NH+]1CC(C)C1 ZINC000557444015 384942974 /nfs/dbraw/zinc/94/29/74/384942974.db2.gz JURTXUNCJBXMAC-SNVBAGLBSA-N 2 0 213.325 0.004 20 0 BCADRP COC(=O)[C@H](C)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368312486 384944940 /nfs/dbraw/zinc/94/49/40/384944940.db2.gz MXBJRGRSMFBBRP-YPMHNXCESA-N 2 0 240.347 0.823 20 0 BCADRP C[C@@H](C(=O)NCC[NH+]1CCC(C)CC1)[C@H](C)[NH3+] ZINC000156742326 384946784 /nfs/dbraw/zinc/94/67/84/384946784.db2.gz IVOOXPXOLGONRH-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@@H](O)C[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000644540887 384947719 /nfs/dbraw/zinc/94/77/19/384947719.db2.gz LPEGNQNVAHXOHE-CYBMUJFWSA-N 2 0 244.379 0.848 20 0 BCADRP COCC[C@](C)(O)C[NH2+]C1CCN(C)CC1 ZINC000177344362 384968918 /nfs/dbraw/zinc/96/89/18/384968918.db2.gz YFSJZYVHHHVOQE-LBPRGKRZSA-N 2 0 230.352 0.458 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000564947422 384969366 /nfs/dbraw/zinc/96/93/66/384969366.db2.gz CKBUWRDCOSOFNC-GHMZBOCLSA-N 2 0 237.347 0.326 20 0 BCADRP CC[NH+](CC)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000557481190 384969706 /nfs/dbraw/zinc/96/97/06/384969706.db2.gz HPFNRPDJCAUFLY-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP CCOCC[C@@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000644562961 384970147 /nfs/dbraw/zinc/97/01/47/384970147.db2.gz IVULYHMEFHYINJ-NWDGAFQWSA-N 2 0 232.368 0.704 20 0 BCADRP CCSCC[NH2+]C[C@@H]1CN(C)CCN1C ZINC000128965809 384971103 /nfs/dbraw/zinc/97/11/03/384971103.db2.gz OWBQVIFMRMVSGS-LLVKDONJSA-N 2 0 231.409 0.575 20 0 BCADRP CSCC[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000156821979 384982870 /nfs/dbraw/zinc/98/28/70/384982870.db2.gz XCAPXYMEASZHJT-LBPRGKRZSA-N 2 0 245.436 0.965 20 0 BCADRP C[NH+](C)Cc1cccc(CNC(=O)C[NH3+])c1 ZINC000164419811 384984340 /nfs/dbraw/zinc/98/43/40/384984340.db2.gz TXSGOEHHUBPWSY-UHFFFAOYSA-N 2 0 221.304 0.323 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023752 384993516 /nfs/dbraw/zinc/99/35/16/384993516.db2.gz ZAMSGQAZDDQKKC-QJPTWQEYSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H](CN1CCOCC1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000310344212 384995126 /nfs/dbraw/zinc/99/51/26/384995126.db2.gz FNTXIJDTVXKPIG-QWHCGFSZSA-N 2 0 243.395 0.814 20 0 BCADRP C[C@@H](C[NH2+]Cc1cc[nH]c1)N1CC[NH+](C)CC1 ZINC000086252941 385002705 /nfs/dbraw/zinc/00/27/05/385002705.db2.gz NGMBCDBDTRZFEH-LBPRGKRZSA-N 2 0 236.363 0.740 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH2+]C1)C1CC1 ZINC000226398169 385006744 /nfs/dbraw/zinc/00/67/44/385006744.db2.gz SPFPNKVGJMNQIU-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP CC[N@H+](CCNC(=O)C1([NH3+])CC1)C1CC1 ZINC000226397317 385006935 /nfs/dbraw/zinc/00/69/35/385006935.db2.gz OXMUBNZXAYEXPU-UHFFFAOYSA-N 2 0 211.309 0.078 20 0 BCADRP C[NH+](C)CCn1ccc(NC(=O)CCC[NH3+])n1 ZINC000236989324 385008564 /nfs/dbraw/zinc/00/85/64/385008564.db2.gz CTIJWOSMPYEMSD-UHFFFAOYSA-N 2 0 239.323 0.122 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000226397920 385009340 /nfs/dbraw/zinc/00/93/40/385009340.db2.gz UCGFBFBULLNBMF-NSHDSACASA-N 2 0 225.336 0.339 20 0 BCADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)CCN1CCOCC1 ZINC000259129751 384961483 /nfs/dbraw/zinc/96/14/83/384961483.db2.gz CVYQAGWWVCZIFG-ZDUSSCGKSA-N 2 0 241.379 0.250 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCCN1CCOCC1 ZINC000404758765 385052462 /nfs/dbraw/zinc/05/24/62/385052462.db2.gz BBAIKYZUXFMECL-VXGBXAGGSA-N 2 0 241.379 0.424 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000404758763 385052747 /nfs/dbraw/zinc/05/27/47/385052747.db2.gz BBAIKYZUXFMECL-RYUDHWBXSA-N 2 0 241.379 0.424 20 0 BCADRP COC(=O)CCCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000377391480 385054180 /nfs/dbraw/zinc/05/41/80/385054180.db2.gz KENAXTNWDODPGV-CYBMUJFWSA-N 2 0 240.347 0.967 20 0 BCADRP C[N@H+](CCNC(=O)c1ccc(C[NH3+])cc1)C1CC1 ZINC000059931311 385056934 /nfs/dbraw/zinc/05/69/34/385056934.db2.gz RZEIUJLFMXGCSU-UHFFFAOYSA-N 2 0 247.342 0.969 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H](C)C[NH2+]C ZINC000449118084 385061933 /nfs/dbraw/zinc/06/19/33/385061933.db2.gz WSTHSOVCSVACNR-VHSXEESVSA-N 2 0 215.341 0.346 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000157068095 385066546 /nfs/dbraw/zinc/06/65/46/385066546.db2.gz RCAGYUSSYAYWBT-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP O=C(NCC1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000647640698 385068699 /nfs/dbraw/zinc/06/86/99/385068699.db2.gz ZPLKTIPALRPIHG-NSHDSACASA-N 2 0 225.336 0.244 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)[NH+](C)C ZINC000646937795 385071494 /nfs/dbraw/zinc/07/14/94/385071494.db2.gz SSPBDLUECQIRPY-IJLUTSLNSA-N 2 0 239.363 0.489 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000359224728 385074893 /nfs/dbraw/zinc/07/48/93/385074893.db2.gz FPYRTWPGYQVEOG-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+](C)C ZINC000644623708 385029986 /nfs/dbraw/zinc/02/99/86/385029986.db2.gz LLTQOYIIQWYDGK-MNOVXSKESA-N 2 0 229.368 0.781 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C[C@@H]1CCC[C@@H]1[NH3+] ZINC000340122799 385037371 /nfs/dbraw/zinc/03/73/71/385037371.db2.gz MTBYQMXTIJUYSW-WOPDTQHZSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]CCSCCN1CCO[C@H](C)C1 ZINC000566183716 385045057 /nfs/dbraw/zinc/04/50/57/385045057.db2.gz UGRPESPLROGXPO-SNVBAGLBSA-N 2 0 218.366 0.660 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364138979 385046494 /nfs/dbraw/zinc/04/64/94/385046494.db2.gz ABAFKZVDXXEJGE-WCQYABFASA-N 2 0 239.363 0.444 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000530836255 385108866 /nfs/dbraw/zinc/10/88/66/385108866.db2.gz NQQUHRLEZOBILZ-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP [NH3+][C@@H](C(=O)N[C@@H]1CCC[NH2+]CC1)C1CCC1 ZINC000646985254 385111495 /nfs/dbraw/zinc/11/14/95/385111495.db2.gz VIDZKSLIMPXVOL-GHMZBOCLSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[NH2+]CC1)[C@H](C)[NH3+] ZINC000646985293 385111549 /nfs/dbraw/zinc/11/15/49/385111549.db2.gz WYDLCMBBOKJPJG-TUAOUCFPSA-N 2 0 241.379 0.864 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646985170 385112019 /nfs/dbraw/zinc/11/20/19/385112019.db2.gz RBPRHVJQTJQKFV-UTUOFQBUSA-N 2 0 239.363 0.633 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)N[C@H]1CCC[NH2+]CC1 ZINC000646984906 385112256 /nfs/dbraw/zinc/11/22/56/385112256.db2.gz CWHJDRHFUHXVJP-RYUDHWBXSA-N 2 0 239.363 0.777 20 0 BCADRP CC[C@H]1CN(C(=O)CCC[NH2+]C)CC[C@H]1[NH3+] ZINC000647015366 385141559 /nfs/dbraw/zinc/14/15/59/385141559.db2.gz OOKJLBZJLFZRDT-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646987422 385113062 /nfs/dbraw/zinc/11/30/62/385113062.db2.gz WUAXHUYSCKXTQC-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@H]2CCC[NH2+]CC2)o1 ZINC000646988289 385118259 /nfs/dbraw/zinc/11/82/59/385118259.db2.gz LTXHBGBLLOZUCJ-VIFPVBQESA-N 2 0 237.303 0.610 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)N[C@@H]1CCC[NH2+]CC1 ZINC000646988182 385118316 /nfs/dbraw/zinc/11/83/16/385118316.db2.gz IFHMBCRGSHTMLQ-VXGBXAGGSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CC[NH3+] ZINC000246184699 385119254 /nfs/dbraw/zinc/11/92/54/385119254.db2.gz CMAYYLCLMHMSAT-UTUOFQBUSA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+]CC1(C(=O)N[C@H]2CCC[NH2+]CC2)CCCC1 ZINC000646988506 385120336 /nfs/dbraw/zinc/12/03/36/385120336.db2.gz RQOZGTUCCFQALH-NSHDSACASA-N 2 0 239.363 0.764 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000646988582 385120986 /nfs/dbraw/zinc/12/09/86/385120986.db2.gz UTLULPNLJQYPHE-JQWIXIFHSA-N 2 0 225.336 0.244 20 0 BCADRP CC(C)[C@@H](C(=O)N1CCC(C)([NH3+])CC1)[C@H](C)[NH3+] ZINC000646993375 385124173 /nfs/dbraw/zinc/12/41/73/385124173.db2.gz TWHUOYCVLZCMQQ-WDEREUQCSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000646990492 385126172 /nfs/dbraw/zinc/12/61/72/385126172.db2.gz KLUJLWLMUAMCNT-SECBINFHSA-N 2 0 233.315 0.643 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000646990552 385126782 /nfs/dbraw/zinc/12/67/82/385126782.db2.gz OXNCQXRNPDGVLF-CYBMUJFWSA-N 2 0 247.342 0.889 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000246240267 385132764 /nfs/dbraw/zinc/13/27/64/385132764.db2.gz IRJGTILJGFOWAD-JFGNBEQYSA-N 2 0 237.347 0.480 20 0 BCADRP [NH3+]CC1(CC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000646996549 385133760 /nfs/dbraw/zinc/13/37/60/385133760.db2.gz HKTZBNKGSTUZOM-ZJUUUORDSA-N 2 0 225.336 0.502 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C2CCC2)CC[NH2+]1 ZINC000647018320 385142493 /nfs/dbraw/zinc/14/24/93/385142493.db2.gz BLQHRCMNLKQZRZ-MIMYLULJSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000647018125 385142571 /nfs/dbraw/zinc/14/25/71/385142571.db2.gz HJOGHCBODYGFJB-GWOFURMSSA-N 2 0 225.336 0.241 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1CCN1CCO[C@@H](C)C1 ZINC000566246099 385136067 /nfs/dbraw/zinc/13/60/67/385136067.db2.gz FAROVAAAKHUURM-STQMWFEESA-N 2 0 241.379 0.391 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000157286312 385136421 /nfs/dbraw/zinc/13/64/21/385136421.db2.gz YABOFKWGGPVFSE-NXEZZACHSA-N 2 0 245.392 0.229 20 0 BCADRP C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000566246432 385137447 /nfs/dbraw/zinc/13/74/47/385137447.db2.gz ZYTPYHDDSHWDSH-AGIUHOORSA-N 2 0 241.379 0.376 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC1([NH3+])CCC1 ZINC000647001656 385137584 /nfs/dbraw/zinc/13/75/84/385137584.db2.gz ICVIQESZIDKVNP-NXEZZACHSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC[C@@H]1[NH3+] ZINC000647015038 385139530 /nfs/dbraw/zinc/13/95/30/385139530.db2.gz FWPNTEZBARMFRR-VWYCJHECSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@H]1CN(C(=O)CC2([NH3+])CCC2)CC[C@H]1[NH3+] ZINC000647015496 385139784 /nfs/dbraw/zinc/13/97/84/385139784.db2.gz SOOXHBPQVLSNDT-WDEREUQCSA-N 2 0 239.363 0.844 20 0 BCADRP CC[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000647015193 385139826 /nfs/dbraw/zinc/13/98/26/385139826.db2.gz JQWKHMRUJRIPQR-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H](C)C[NH2+]C)CC[C@H]1[NH3+] ZINC000647015368 385140322 /nfs/dbraw/zinc/14/03/22/385140322.db2.gz OPHVTAHOXHLRNZ-GMTAPVOTSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000646956092 385085589 /nfs/dbraw/zinc/08/55/89/385085589.db2.gz UXAZVVJOVHDIKY-ZJUUUORDSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000646965984 385090640 /nfs/dbraw/zinc/09/06/40/385090640.db2.gz ONIPMKBYEQDLKW-GVXVVHGQSA-N 2 0 239.363 0.490 20 0 BCADRP CC1(CNC(=O)CC2([NH3+])CCC2)CC[NH2+]CC1 ZINC000646963659 385090680 /nfs/dbraw/zinc/09/06/80/385090680.db2.gz UAZMXYKNVLBTHR-UHFFFAOYSA-N 2 0 239.363 0.764 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CC[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000647018128 385142824 /nfs/dbraw/zinc/14/28/24/385142824.db2.gz HPYKSXMTUYLQRL-GRYCIOLGSA-N 2 0 239.363 0.633 20 0 BCADRP COC[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C)OC ZINC000404842986 385104586 /nfs/dbraw/zinc/10/45/86/385104586.db2.gz CHRCPQRULVJOPB-GUBZILKMSA-N 2 0 216.325 0.363 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000647046326 385184193 /nfs/dbraw/zinc/18/41/93/385184193.db2.gz VDXNGKVOXVCATN-GMTAPVOTSA-N 2 0 227.352 0.605 20 0 BCADRP CC[NH2+]CCNC(=O)c1conc1C(C)(C)[NH3+] ZINC000564668274 385185019 /nfs/dbraw/zinc/18/50/19/385185019.db2.gz RLGMITDRKJYOLJ-UHFFFAOYSA-N 2 0 240.307 0.208 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000647051336 385187715 /nfs/dbraw/zinc/18/77/15/385187715.db2.gz QFPRCKALUFIWJN-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@H]2CC23CC[NH2+]CC3)co1 ZINC000647055189 385195171 /nfs/dbraw/zinc/19/51/71/385195171.db2.gz OIJWOAWNPCPMRA-NSHDSACASA-N 2 0 249.314 0.610 20 0 BCADRP C[NH+](C)[C@H]1CCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000062964616 385198712 /nfs/dbraw/zinc/19/87/12/385198712.db2.gz QXOJLBIVVAQDPR-ZDUSSCGKSA-N 2 0 247.342 0.921 20 0 BCADRP [NH3+]C[C@@H]1CCCN1C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449131696 385198966 /nfs/dbraw/zinc/19/89/66/385198966.db2.gz OXDHHHBVXOGLFW-SDDRHHMPSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CC[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000647018131 385143001 /nfs/dbraw/zinc/14/30/01/385143001.db2.gz HPYKSXMTUYLQRL-WOPDTQHZSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CC[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000647018129 385144157 /nfs/dbraw/zinc/14/41/57/385144157.db2.gz HPYKSXMTUYLQRL-IJLUTSLNSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000647016187 385144240 /nfs/dbraw/zinc/14/42/40/385144240.db2.gz WHRNZIWVYBBRCH-SDDRHHMPSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000246291033 385145207 /nfs/dbraw/zinc/14/52/07/385145207.db2.gz NFQDIYRTZKPSDR-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP CCOC[C@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000564859036 385145501 /nfs/dbraw/zinc/14/55/01/385145501.db2.gz BZIKNAVQUVJEBF-CYBMUJFWSA-N 2 0 249.314 0.821 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000647020603 385148085 /nfs/dbraw/zinc/14/80/85/385148085.db2.gz GEOONFDGFRWJCU-SNVBAGLBSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647054996 385200135 /nfs/dbraw/zinc/20/01/35/385200135.db2.gz HFBMWGACVKOFMS-UWVGGRQHSA-N 2 0 225.336 0.372 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449753449 385154862 /nfs/dbraw/zinc/15/48/62/385154862.db2.gz OONGJDOESHPJKI-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000647023222 385155608 /nfs/dbraw/zinc/15/56/08/385155608.db2.gz SVFYOBSCTHZREP-KOLCDFICSA-N 2 0 221.304 0.192 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647025486 385157365 /nfs/dbraw/zinc/15/73/65/385157365.db2.gz ZWOTZCOLXZBUHG-GRYCIOLGSA-N 2 0 237.347 0.149 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000647026431 385160265 /nfs/dbraw/zinc/16/02/65/385160265.db2.gz SYBPYDUWHRWLQN-SDDRHHMPSA-N 2 0 239.363 0.572 20 0 BCADRP CC[NH+](CC)C[C@@H](C)N[C@@H](C)C1C[NH2+]C1 ZINC000422723216 385200949 /nfs/dbraw/zinc/20/09/49/385200949.db2.gz ZZZPLRGTSQVCHM-MNOVXSKESA-N 2 0 213.369 0.914 20 0 BCADRP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000246487224 385170983 /nfs/dbraw/zinc/17/09/83/385170983.db2.gz XBJDOLQEDCXNHU-UTUOFQBUSA-N 2 0 237.347 0.420 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647055063 385201048 /nfs/dbraw/zinc/20/10/48/385201048.db2.gz JNPDVQTURAHGIE-GHMZBOCLSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000647035846 385172395 /nfs/dbraw/zinc/17/23/95/385172395.db2.gz DHZRQMATQYZEMX-VWYCJHECSA-N 2 0 243.326 0.144 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647054984 385201403 /nfs/dbraw/zinc/20/14/03/385201403.db2.gz GJDRWVLPSGDTCH-VHSXEESVSA-N 2 0 225.336 0.228 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCSC2)CC1 ZINC000308847030 385206233 /nfs/dbraw/zinc/20/62/33/385206233.db2.gz ALRCBLJMNGGXRJ-SNVBAGLBSA-N 2 0 230.377 0.538 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647060762 385206990 /nfs/dbraw/zinc/20/69/90/385206990.db2.gz TXYZDWYHMXQYPL-PHIMTYICSA-N 2 0 225.336 0.054 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC1CC[NH+](C)CC1 ZINC000107801917 385212513 /nfs/dbraw/zinc/21/25/13/385212513.db2.gz NAHAPTSGXSTWGV-GFCCVEGCSA-N 2 0 211.353 0.764 20 0 BCADRP CCCCNC(=O)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359317097 385212528 /nfs/dbraw/zinc/21/25/28/385212528.db2.gz GPMUXKVDUVRRDM-VXGBXAGGSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)CC1CC[NH2+]CC1 ZINC000647068816 385214968 /nfs/dbraw/zinc/21/49/68/385214968.db2.gz WNOSRVMTZJLQCP-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(C[NH3+])o1 ZINC000647068714 385216107 /nfs/dbraw/zinc/21/61/07/385216107.db2.gz LFPWGFMEXQHKKH-RNFRBKRXSA-N 2 0 211.265 0.204 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000647072035 385219034 /nfs/dbraw/zinc/21/90/34/385219034.db2.gz WNTVMGAHHMKSOK-ZCFIWIBFSA-N 2 0 223.267 0.213 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000364176803 385219410 /nfs/dbraw/zinc/21/94/10/385219410.db2.gz PKQNPQVSTRPFNS-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1NCCC[NH+](C)C ZINC000252716537 385226755 /nfs/dbraw/zinc/22/67/55/385226755.db2.gz YSCZKPPXZQUTQB-VXGBXAGGSA-N 2 0 213.369 0.868 20 0 BCADRP C[C@H]1C[N@H+](C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000108356761 385233647 /nfs/dbraw/zinc/23/36/47/385233647.db2.gz JNEJUWQHHRHPLY-NWDGAFQWSA-N 2 0 211.353 0.622 20 0 BCADRP C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000166407156 385242199 /nfs/dbraw/zinc/24/21/99/385242199.db2.gz HQABWJLNUDJCNO-NSHDSACASA-N 2 0 235.331 0.928 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000647082765 385243055 /nfs/dbraw/zinc/24/30/55/385243055.db2.gz GTSNBGQCRBOTGE-DTWKUNHWSA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)o1 ZINC000647082948 385243298 /nfs/dbraw/zinc/24/32/98/385243298.db2.gz VKYMTNQQMBVALH-IUCAKERBSA-N 2 0 237.303 0.596 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000647082941 385243643 /nfs/dbraw/zinc/24/36/43/385243643.db2.gz VGEUBYPVEXGGCP-WDEREUQCSA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000647083722 385246015 /nfs/dbraw/zinc/24/60/15/385246015.db2.gz DAXVVYZPEAWHLK-ZCFIWIBFSA-N 2 0 241.257 0.510 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000647083778 385246028 /nfs/dbraw/zinc/24/60/28/385246028.db2.gz KMGRBXDMXIYISA-RITPCOANSA-N 2 0 227.230 0.120 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000647086387 385248574 /nfs/dbraw/zinc/24/85/74/385248574.db2.gz AUQFHLUNIGPQEZ-FXPVBKGRSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000647086499 385250030 /nfs/dbraw/zinc/25/00/30/385250030.db2.gz UXLVZNMQDZXUBV-NQBHXWOUSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C[C@H]1C[NH3+] ZINC000647086840 385251638 /nfs/dbraw/zinc/25/16/38/385251638.db2.gz MVCSJZCOMXSISE-MXWKQRLJSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)CC[N@@H+]1C ZINC000559872477 385203413 /nfs/dbraw/zinc/20/34/13/385203413.db2.gz YWIUPJCGHNAPEE-RVMXOQNASA-N 2 0 242.363 0.599 20 0 BCADRP CN(CC[NH2+]C(C)(C)C)CCN1CC[NH2+]CC1 ZINC000647492680 385302861 /nfs/dbraw/zinc/30/28/61/385302861.db2.gz SJGAAEWJXPCVHO-UHFFFAOYSA-N 2 0 242.411 0.212 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000167466928 385317796 /nfs/dbraw/zinc/31/77/96/385317796.db2.gz IATKBIPGRJJALH-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1CC12C[NH2+]C2 ZINC000364219609 385264244 /nfs/dbraw/zinc/26/42/44/385264244.db2.gz KEQGCPQYFNSWJN-HBNTYKKESA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000227881363 385266624 /nfs/dbraw/zinc/26/66/24/385266624.db2.gz FWOAMLOFZJKVCD-QJPTWQEYSA-N 2 0 239.363 0.537 20 0 BCADRP [NH3+]C1(c2noc(C[C@H]3CC[NH2+]C3)n2)CCC1 ZINC000647140969 385278629 /nfs/dbraw/zinc/27/86/29/385278629.db2.gz OHXUZDALBOEWCO-MRVPVSSYSA-N 2 0 222.292 0.560 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000647490237 385280653 /nfs/dbraw/zinc/28/06/53/385280653.db2.gz HHAPCEPBYBLBHZ-UTUOFQBUSA-N 3 0 211.353 0.655 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000647490236 385282883 /nfs/dbraw/zinc/28/28/83/385282883.db2.gz HHAPCEPBYBLBHZ-IJLUTSLNSA-N 3 0 211.353 0.655 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647650199 385286302 /nfs/dbraw/zinc/28/63/02/385286302.db2.gz RPYZPAJDSSNRTR-GCHJQGSQSA-N 2 0 237.347 0.180 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368641974 385287494 /nfs/dbraw/zinc/28/74/94/385287494.db2.gz IUDPLDCPUDXXGP-ATZCPNFKSA-N 2 0 231.315 0.320 20 0 BCADRP C[NH2+][C@@H](C)Cc1noc(-c2ccc(C[NH3+])o2)n1 ZINC000647141974 385292049 /nfs/dbraw/zinc/29/20/49/385292049.db2.gz DBCDIRLSIPUOTQ-ZETCQYMHSA-N 2 0 236.275 0.939 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN(C)CCN1CC[NH2+]CC1 ZINC000647492724 385300567 /nfs/dbraw/zinc/30/05/67/385300567.db2.gz VIOZFBOWIBMSAE-CYBMUJFWSA-N 2 0 242.411 0.197 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000164959389 385330826 /nfs/dbraw/zinc/33/08/26/385330826.db2.gz FIFDPUWAZYWIIA-CMPLNLGQSA-N 2 0 241.379 0.960 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000517036160 385331620 /nfs/dbraw/zinc/33/16/20/385331620.db2.gz XBWAZLSGOVINNL-OLZOCXBDSA-N 2 0 243.395 0.230 20 0 BCADRP C[C@H]1CCC[N@H+](CCNC(=O)CC[NH3+])C1 ZINC000164997651 385334656 /nfs/dbraw/zinc/33/46/56/385334656.db2.gz UJFVDJDDAXPZPY-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000643973996 385338140 /nfs/dbraw/zinc/33/81/40/385338140.db2.gz QTQXHLCFWJJPTR-RKDXNWHRSA-N 2 0 247.289 0.181 20 0 BCADRP C[C@@H](NC(=O)N1CCC(CC[NH3+])CC1)[C@H](C)[NH3+] ZINC000517035480 385338724 /nfs/dbraw/zinc/33/87/24/385338724.db2.gz KDJLUSAWDHMEDY-VHSXEESVSA-N 2 0 242.367 0.493 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000165017205 385339142 /nfs/dbraw/zinc/33/91/42/385339142.db2.gz GMCPABWEOTXCMX-IJLUTSLNSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]([NH3+])C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000165019094 385340225 /nfs/dbraw/zinc/34/02/25/385340225.db2.gz GMCPABWEOTXCMX-UTUOFQBUSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H](C(=O)NCC[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000165115691 385350692 /nfs/dbraw/zinc/35/06/92/385350692.db2.gz QHTKOHBVHIBYCU-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[N@H+](C)CCN[C@@H]1C[NH+](C)C[C@@H]1C ZINC000309011689 385359524 /nfs/dbraw/zinc/35/95/24/385359524.db2.gz SAEWCUNGVXUYQG-NWDGAFQWSA-N 2 0 213.369 0.866 20 0 BCADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C[NH3+] ZINC000076623962 385361572 /nfs/dbraw/zinc/36/15/72/385361572.db2.gz YSOVJYCVFZJBQT-UHFFFAOYSA-N 2 0 241.360 0.597 20 0 BCADRP C[C@@H]1C[C@H](CN(C)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000647494979 385362964 /nfs/dbraw/zinc/36/29/64/385362964.db2.gz BGSXDCKIPCIAAZ-IJLUTSLNSA-N 2 0 211.353 0.668 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH3+] ZINC000309018709 385372864 /nfs/dbraw/zinc/37/28/64/385372864.db2.gz VRXBGXWTLGDBEB-DTWKUNHWSA-N 2 0 201.314 0.071 20 0 BCADRP CC[C@@H](COC)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000155110201 385376851 /nfs/dbraw/zinc/37/68/51/385376851.db2.gz JRSBTZMQNKCABX-OLZOCXBDSA-N 2 0 243.395 0.637 20 0 BCADRP CC[NH+](CC)CCN[C@H]1C[N@H+](C)C[C@H]1C ZINC000309040628 385377555 /nfs/dbraw/zinc/37/75/55/385377555.db2.gz KZYKSHFBPYXIFQ-NEPJUHHUSA-N 2 0 213.369 0.868 20 0 BCADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)CC(N)=O ZINC000309079951 385400130 /nfs/dbraw/zinc/40/01/30/385400130.db2.gz OECRIKOARXWLPL-JTQLQIEISA-N 2 0 215.341 0.570 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000644068857 385417817 /nfs/dbraw/zinc/41/78/17/385417817.db2.gz UBGNIUAMOLZWGO-BDAKNGLRSA-N 2 0 247.289 0.085 20 0 BCADRP C[C@H]1c2nncn2CCN1CCCn1ccnc1 ZINC000362072453 385419799 /nfs/dbraw/zinc/41/97/99/385419799.db2.gz NIFZXTJYMAIKGE-NSHDSACASA-N 2 0 246.318 0.942 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1[NH2+]CC1(C)C ZINC000644077980 385423577 /nfs/dbraw/zinc/42/35/77/385423577.db2.gz BNHHJNHZGXTRCV-SECBINFHSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000644089816 385441813 /nfs/dbraw/zinc/44/18/13/385441813.db2.gz NKDDZMNYBDDXSR-BDAKNGLRSA-N 2 0 247.289 0.052 20 0 BCADRP C[C@H](O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000194950231 385453907 /nfs/dbraw/zinc/45/39/07/385453907.db2.gz SPLBMKMBEFRMAD-LBPRGKRZSA-N 2 0 243.395 0.325 20 0 BCADRP [NH3+]Cc1cc(C(=O)NC[C@H]2CCCC[NH2+]2)ccn1 ZINC000644080547 385427462 /nfs/dbraw/zinc/42/74/62/385427462.db2.gz SFNUBYSDSFLRAK-LLVKDONJSA-N 2 0 248.330 0.412 20 0 BCADRP C[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000644082245 385429613 /nfs/dbraw/zinc/42/96/13/385429613.db2.gz RKBNSMPXOUNVET-GARJFASQSA-N 2 0 239.363 0.489 20 0 BCADRP CCCN(C(=O)[C@@H]1[NH2+]CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000644085362 385430423 /nfs/dbraw/zinc/43/04/23/385430423.db2.gz XYDUNQSJJDJYJX-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644084990 385431246 /nfs/dbraw/zinc/43/12/46/385431246.db2.gz AEDWRHZGZFSEMD-ZETCQYMHSA-N 2 0 235.278 0.085 20 0 BCADRP O=C(NCC[NH2+]C1CC1)c1ccc2c[nH+]cn2c1 ZINC000644083668 385433571 /nfs/dbraw/zinc/43/35/71/385433571.db2.gz BAOITHIFKSMGLY-UHFFFAOYSA-N 2 0 244.298 0.816 20 0 BCADRP O=C(NCC[NH2+]C1CC1)[C@H]1C[NH2+]CCC1(F)F ZINC000644084227 385433659 /nfs/dbraw/zinc/43/36/59/385433659.db2.gz NVDPSNWTJGTKBW-SECBINFHSA-N 2 0 247.289 0.099 20 0 BCADRP C[C@@]([NH3+])(C(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000195231615 385464729 /nfs/dbraw/zinc/46/47/29/385464729.db2.gz ZQSGSVRGNXYIIF-YPMHNXCESA-N 2 0 233.315 0.339 20 0 BCADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CCCO1 ZINC000309201042 385475913 /nfs/dbraw/zinc/47/59/13/385475913.db2.gz AIWBQTATCFBJJS-VXGBXAGGSA-N 2 0 230.352 0.722 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364583424 385478680 /nfs/dbraw/zinc/47/86/80/385478680.db2.gz VJKNIWRTMJBAKI-DRZSPHRISA-N 2 0 239.363 0.476 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)NCC1C[NH2+]C1 ZINC000644105028 385478797 /nfs/dbraw/zinc/47/87/97/385478797.db2.gz SSLDVSAGOFUSMD-UHFFFAOYSA-N 2 0 247.342 0.398 20 0 BCADRP CC(C)[C@@H](CO)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000309204497 385480398 /nfs/dbraw/zinc/48/03/98/385480398.db2.gz AWMXYPZIGFNNQN-VXGBXAGGSA-N 2 0 230.352 0.048 20 0 BCADRP C[NH+](C)CC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000171392877 385481790 /nfs/dbraw/zinc/48/17/90/385481790.db2.gz SJTRYEPWALWSBU-UHFFFAOYSA-N 2 0 249.358 0.796 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000257669582 385485420 /nfs/dbraw/zinc/48/54/20/385485420.db2.gz GCQDWFSUESXWOW-GHMZBOCLSA-N 2 0 225.336 0.278 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000257656433 385487172 /nfs/dbraw/zinc/48/71/72/385487172.db2.gz CKKANVLPXNFTAC-VXGBXAGGSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@]([NH3+])(C(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000195231758 385463211 /nfs/dbraw/zinc/46/32/11/385463211.db2.gz DVPWNEUZONVSEJ-RISCZKNCSA-N 2 0 247.342 0.668 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000257730385 385493016 /nfs/dbraw/zinc/49/30/16/385493016.db2.gz UXUWKXVXBXJDGS-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000257685956 385493052 /nfs/dbraw/zinc/49/30/52/385493052.db2.gz KIUXLTNZJTVBRB-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000257753725 385495878 /nfs/dbraw/zinc/49/58/78/385495878.db2.gz ODYWCGRUUZYOQA-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000257754448 385497027 /nfs/dbraw/zinc/49/70/27/385497027.db2.gz QFNCFTBKFHBCOP-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000106364185 385506299 /nfs/dbraw/zinc/50/62/99/385506299.db2.gz VQHJAERWXZBVTG-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000644131448 385512140 /nfs/dbraw/zinc/51/21/40/385512140.db2.gz FBTNMXCYUFAORF-VHSXEESVSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+]C1CC1 ZINC000449072881 385514232 /nfs/dbraw/zinc/51/42/32/385514232.db2.gz HBCGMZBKSHIPPM-SCVCMEIPSA-N 2 0 239.363 0.855 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000206532291 385490349 /nfs/dbraw/zinc/49/03/49/385490349.db2.gz DIDVEVLTDRDBAO-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)[C@H](C)[NH3+] ZINC000644145640 385536494 /nfs/dbraw/zinc/53/64/94/385536494.db2.gz MTBDPDNAKCQYPJ-KXUCPTDWSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000644145639 385536502 /nfs/dbraw/zinc/53/65/02/385536502.db2.gz MTBDPDNAKCQYPJ-GUBZILKMSA-N 2 0 225.336 0.228 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000644144637 385536676 /nfs/dbraw/zinc/53/66/76/385536676.db2.gz IPAIAVWZTKAUPL-ZJUUUORDSA-N 2 0 225.336 0.100 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCn1cccn1 ZINC000163726973 134453746 /nfs/dbraw/zinc/45/37/46/134453746.db2.gz OVYVEFKIJPVTPL-NWDGAFQWSA-N 2 0 222.336 0.990 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000644139673 385524224 /nfs/dbraw/zinc/52/42/24/385524224.db2.gz JNGFDNYBZNYOAQ-RKDXNWHRSA-N 2 0 213.325 0.310 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000364990978 385557262 /nfs/dbraw/zinc/55/72/62/385557262.db2.gz XIVRUYOSRKRUJG-WOPDTQHZSA-N 2 0 239.363 0.666 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)C[C@@H](C)[NH3+] ZINC000309380059 385558135 /nfs/dbraw/zinc/55/81/35/385558135.db2.gz DDQZIUVCBNHYJA-SNVBAGLBSA-N 2 0 215.341 0.572 20 0 BCADRP CCn1ccnc1/C=C\C(=O)N1CCC([NH3+])CC1 ZINC000493388073 385571248 /nfs/dbraw/zinc/57/12/48/385571248.db2.gz NHMQDZTTXJZBDY-ARJAWSKDSA-N 2 0 248.330 0.866 20 0 BCADRP CC(C)([NH3+])C(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000365092622 385594736 /nfs/dbraw/zinc/59/47/36/385594736.db2.gz ILUBIMNCMIIQCO-SKDRFNHKSA-N 2 0 225.336 0.454 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000309466585 385594933 /nfs/dbraw/zinc/59/49/33/385594933.db2.gz QCMZNZXZPLOVAQ-NXEZZACHSA-N 2 0 213.325 0.167 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000054074229 385597411 /nfs/dbraw/zinc/59/74/11/385597411.db2.gz QCMNKDRKDXBOBV-VIFPVBQESA-N 2 0 225.336 0.337 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CCCC[C@H]1C[NH3+] ZINC000647705824 385580369 /nfs/dbraw/zinc/58/03/69/385580369.db2.gz PLOOTWHRDADVNB-JTQLQIEISA-N 2 0 227.352 0.844 20 0 BCADRP C[NH+](C)C/C=C\C(=O)NCC1([NH+](C)C)CC1 ZINC000493655567 385589915 /nfs/dbraw/zinc/58/99/15/385589915.db2.gz GQFAQBMUGLGHBO-WAYWQWQTSA-N 2 0 225.336 0.315 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000647711455 385613231 /nfs/dbraw/zinc/61/32/31/385613231.db2.gz USFGDSBQEXNYRO-RKDXNWHRSA-N 2 0 247.289 0.052 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000309509974 385643994 /nfs/dbraw/zinc/64/39/94/385643994.db2.gz XACXLMJKTUDZLD-ZJUUUORDSA-N 2 0 213.325 0.372 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000309514281 385646757 /nfs/dbraw/zinc/64/67/57/385646757.db2.gz YFDBYBRBRVPDKF-KOLCDFICSA-N 2 0 215.341 0.603 20 0 BCADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000647792274 385675589 /nfs/dbraw/zinc/67/55/89/385675589.db2.gz YBVHVSKWWJOHLB-GMTAPVOTSA-N 2 0 225.336 0.147 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC([NH3+])(CC)CC ZINC000308984164 385681410 /nfs/dbraw/zinc/68/14/10/385681410.db2.gz JCKIWZJTYLGQMG-MRVPVSSYSA-N 2 0 201.314 0.357 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645221955 385688598 /nfs/dbraw/zinc/68/85/98/385688598.db2.gz SLXDXVJBYCGTCO-LBPRGKRZSA-N 2 0 248.330 0.468 20 0 BCADRP OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647792999 385697864 /nfs/dbraw/zinc/69/78/64/385697864.db2.gz HEJSUWIEEOUPPI-RYMFRWLXSA-N 2 0 236.359 0.901 20 0 BCADRP O[C@@H](C[NH2+]CCc1ccco1)C[NH+]1CCCC1 ZINC000038059453 385707196 /nfs/dbraw/zinc/70/71/96/385707196.db2.gz HAGKDOJKUUOCLB-LBPRGKRZSA-N 2 0 238.331 0.868 20 0 BCADRP CC(C)C[C@H](CN)[NH2+]CC1CC[NH2+]CC1 ZINC000414855917 385707363 /nfs/dbraw/zinc/70/73/63/385707363.db2.gz XXIDYTDVVLVYGA-GFCCVEGCSA-N 2 0 213.369 0.949 20 0 BCADRP COCCOCCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000221839791 385728239 /nfs/dbraw/zinc/72/82/39/385728239.db2.gz LXVFVWSVHNUJRP-QWHCGFSZSA-N 2 0 244.379 0.969 20 0 BCADRP C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)C(N)=O ZINC000116396184 385729131 /nfs/dbraw/zinc/72/91/31/385729131.db2.gz PICUKZSBPFVEQU-NXEZZACHSA-N 2 0 229.368 0.816 20 0 BCADRP CC[C@H](COC)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000336698699 385752055 /nfs/dbraw/zinc/75/20/55/385752055.db2.gz VPJHSRHUTJWNFK-MXWKQRLJSA-N 2 0 200.326 0.999 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH3+])[NH+](C)C ZINC000309649488 385770141 /nfs/dbraw/zinc/77/01/41/385770141.db2.gz XGQZTVJNWWYAQI-DTWKUNHWSA-N 2 0 201.314 0.036 20 0 BCADRP CC(=O)N1CCC([NH2+]C[C@@H](C)C[NH+](C)C)CC1 ZINC000336703237 385773137 /nfs/dbraw/zinc/77/31/37/385773137.db2.gz KKJJTUMZHYLZKN-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP O=C(C=Cc1c[nH]cn1)NCC[N@H+]1CC=CCC1 ZINC000282681689 385776791 /nfs/dbraw/zinc/77/67/91/385776791.db2.gz DFSQEFVXGOPMNN-SNAWJCMRSA-N 2 0 246.314 0.801 20 0 BCADRP C1=C(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000647799679 385799499 /nfs/dbraw/zinc/79/94/99/385799499.db2.gz NSXRYYIWQIXDFU-MGPQQGTHSA-N 3 0 235.375 0.884 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000186812084 385800142 /nfs/dbraw/zinc/80/01/42/385800142.db2.gz NPRVIAIRUDJRLB-IVZWLZJFSA-N 2 0 227.352 0.474 20 0 BCADRP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647799278 385800753 /nfs/dbraw/zinc/80/07/53/385800753.db2.gz CFLOWEOWCUYTQV-MTVMDMGHSA-N 2 0 210.321 0.487 20 0 BCADRP CC[NH2+]CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647799980 385802971 /nfs/dbraw/zinc/80/29/71/385802971.db2.gz VWWORJNWFXPBMW-FRRDWIJNSA-N 3 0 225.380 0.964 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000521432809 385827116 /nfs/dbraw/zinc/82/71/16/385827116.db2.gz HTQTXGCNGLYVGC-MAUMQABQSA-N 2 0 216.329 0.147 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000261747406 385829191 /nfs/dbraw/zinc/82/91/91/385829191.db2.gz NCTPTHIOZFNUFE-ZWNOBZJWSA-N 2 0 235.331 0.585 20 0 BCADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CO[C@H](C)C1 ZINC000647804250 385840372 /nfs/dbraw/zinc/84/03/72/385840372.db2.gz MRMBPIUUUWZDPR-WTPMCQDGSA-N 2 0 228.336 0.506 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000516649569 385849039 /nfs/dbraw/zinc/84/90/39/385849039.db2.gz WEQHIKKYEXGSGU-GUBZILKMSA-N 2 0 228.340 0.163 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000638114152 385849333 /nfs/dbraw/zinc/84/93/33/385849333.db2.gz HLDBLCCNLJHGQV-MXWKQRLJSA-N 2 0 227.352 0.583 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)c1ccc(C[NH3+])o1 ZINC000647806274 385851308 /nfs/dbraw/zinc/85/13/08/385851308.db2.gz DSUHAFYJTPRHMY-UHFFFAOYSA-N 2 0 239.319 0.986 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647845305 385885032 /nfs/dbraw/zinc/88/50/32/385885032.db2.gz USNMXVBPQDOXNY-YPMHNXCESA-N 2 0 249.358 0.945 20 0 BCADRP CCCN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000647768054 385896323 /nfs/dbraw/zinc/89/63/23/385896323.db2.gz RSEXWOONTTYZQG-WYUUTHIRSA-N 2 0 237.347 0.052 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnn(C)c1 ZINC000122294527 385897200 /nfs/dbraw/zinc/89/72/00/385897200.db2.gz ZFRNJLJPPWDPFY-NXEZZACHSA-N 2 0 208.309 0.589 20 0 BCADRP CN(CCC[NH3+])[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000647848362 385899144 /nfs/dbraw/zinc/89/91/44/385899144.db2.gz NQORXSBPXJETPG-LLVKDONJSA-N 2 0 239.294 0.633 20 0 BCADRP CC(C)([NH3+])CCC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000647768438 385925132 /nfs/dbraw/zinc/92/51/32/385925132.db2.gz ZXXKQQJFKQKLNG-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP CC1(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[NH2+]C1 ZINC000335036139 385925988 /nfs/dbraw/zinc/92/59/88/385925988.db2.gz KTQIKONJYUGFJV-SNVBAGLBSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000647811048 385862527 /nfs/dbraw/zinc/86/25/27/385862527.db2.gz QEHOGYRGWAAWNE-SFYZADRCSA-N 2 0 235.278 0.037 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)CCC(C)(C)[NH3+] ZINC000647811067 385862793 /nfs/dbraw/zinc/86/27/93/385862793.db2.gz VNPWWGKZXQZHID-JTQLQIEISA-N 2 0 229.368 0.994 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000262619237 385866099 /nfs/dbraw/zinc/86/60/99/385866099.db2.gz DPLJZESJWMSKKX-STQMWFEESA-N 2 0 247.342 0.863 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000647825025 385867323 /nfs/dbraw/zinc/86/73/23/385867323.db2.gz UMQQHOMMRXHSFU-MXWKQRLJSA-N 2 0 227.352 0.426 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000647816899 385868626 /nfs/dbraw/zinc/86/86/26/385868626.db2.gz ANXMEAFKNLQUKY-FOGDFJRCSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1CN(C(=O)CCC(C)(C)[NH3+])CC[C@H]1[NH3+] ZINC000647816087 385869040 /nfs/dbraw/zinc/86/90/40/385869040.db2.gz PKMATWCYVVUWFU-VHSXEESVSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000647818237 385870949 /nfs/dbraw/zinc/87/09/49/385870949.db2.gz FRIWMXQUWJXMIJ-HGCLJGPKSA-N 2 0 237.347 0.323 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC(F)F)[C@@H]1C[NH3+] ZINC000647820964 385871241 /nfs/dbraw/zinc/87/12/41/385871241.db2.gz XAZYLVBLUCBTEF-HRDYMLBCSA-N 2 0 249.305 0.555 20 0 BCADRP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CCC(F)(F)C1 ZINC000308820441 385872627 /nfs/dbraw/zinc/87/26/27/385872627.db2.gz BUCSCEMCEOFQOY-DTWKUNHWSA-N 2 0 222.279 0.673 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000262669634 385872835 /nfs/dbraw/zinc/87/28/35/385872835.db2.gz RBFXCTDNZLFRRS-YPMHNXCESA-N 2 0 247.342 0.815 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000262669630 385873196 /nfs/dbraw/zinc/87/31/96/385873196.db2.gz RBFXCTDNZLFRRS-DGCLKSJQSA-N 2 0 247.342 0.815 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000647828484 385876291 /nfs/dbraw/zinc/87/62/91/385876291.db2.gz WJXUFCUCYALQHK-WZRBSPASSA-N 2 0 241.379 0.816 20 0 BCADRP Cn1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1=O ZINC000647829408 385878017 /nfs/dbraw/zinc/87/80/17/385878017.db2.gz AIPVMEAXFNJOOY-NSHDSACASA-N 2 0 221.304 0.166 20 0 BCADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C[NH+](C)C ZINC000647830147 385878060 /nfs/dbraw/zinc/87/80/60/385878060.db2.gz NUIWLJZNSMUSDJ-ZJUUUORDSA-N 2 0 213.325 0.099 20 0 BCADRP [NH3+]C[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000647829670 385878490 /nfs/dbraw/zinc/87/84/90/385878490.db2.gz KNGQIDRSXUURNM-NWDGAFQWSA-N 3 0 211.353 0.657 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000647829258 385878628 /nfs/dbraw/zinc/87/86/28/385878628.db2.gz CRWZYCGSPHRUMB-OUAUKWLOSA-N 2 0 225.336 0.372 20 0 BCADRP CCCN(C(=O)[C@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000647767318 385881268 /nfs/dbraw/zinc/88/12/68/385881268.db2.gz CMURXDLCCPZFGX-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000647836861 385882262 /nfs/dbraw/zinc/88/22/62/385882262.db2.gz MXRILZMJOXSWSK-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP CC(C)[C@@H](C)NC(=O)CN1CCC(C)([NH3+])CC1 ZINC000647926871 385985580 /nfs/dbraw/zinc/98/55/80/385985580.db2.gz PRAHIIQJKOYIIU-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000295171185 385985842 /nfs/dbraw/zinc/98/58/42/385985842.db2.gz UJCDGJIWHCHXAR-SKDRFNHKSA-N 2 0 233.315 0.164 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000295185944 385986733 /nfs/dbraw/zinc/98/67/33/385986733.db2.gz IEVKSNIGUJNRNX-NWDGAFQWSA-N 2 0 235.331 0.410 20 0 BCADRP C[C@@H](C[NH3+])CNCc1c(Cl)cnn1C ZINC000414881169 385987228 /nfs/dbraw/zinc/98/72/28/385987228.db2.gz SBHFNABRIRTOJW-ZETCQYMHSA-N 2 0 216.716 0.758 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000295192977 385988292 /nfs/dbraw/zinc/98/82/92/385988292.db2.gz ODEYBXVHDSLFTD-GWCFXTLKSA-N 2 0 247.342 0.943 20 0 BCADRP [NH3+]C[C@@H](C(=O)N[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000295222366 385992777 /nfs/dbraw/zinc/99/27/77/385992777.db2.gz RDMRYNLCFXQZGX-CHWSQXEVSA-N 2 0 247.342 0.582 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000335040759 385933932 /nfs/dbraw/zinc/93/39/32/385933932.db2.gz ZRMGKMFMFZACOT-JQWIXIFHSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H](CO)[NH+](C)C/C=C/C[N@@H+](C)[C@@H](C)CO ZINC000342087824 385936229 /nfs/dbraw/zinc/93/62/29/385936229.db2.gz RGCLWSRWKRKAIN-MTJJXUSZSA-N 2 0 230.352 0.168 20 0 BCADRP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH3+] ZINC000335042632 385936747 /nfs/dbraw/zinc/93/67/47/385936747.db2.gz FFEYRCDGRWAQPB-VHSXEESVSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1cn[nH]c1 ZINC000309012983 385937061 /nfs/dbraw/zinc/93/70/61/385937061.db2.gz PTJIZVFODFHWHR-KOLCDFICSA-N 2 0 208.309 0.764 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCCC[NH2+]C ZINC000417445526 385937828 /nfs/dbraw/zinc/93/78/28/385937828.db2.gz HJDNRBAWZJKOHH-NSHDSACASA-N 2 0 244.383 0.625 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)CC2(C[NH3+])CC2)[C@@H]1C ZINC000335044558 385939497 /nfs/dbraw/zinc/93/94/97/385939497.db2.gz KTUWLCBVKCCYEX-NXEZZACHSA-N 2 0 225.336 0.324 20 0 BCADRP COC(=O)c1ccc(C[NH2+]C[C@H](C)C[NH3+])[nH]1 ZINC000414879454 385944264 /nfs/dbraw/zinc/94/42/64/385944264.db2.gz PHWVAWXCSHPIDT-MRVPVSSYSA-N 2 0 225.292 0.486 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](C)CC[NH3+] ZINC000417448774 385951362 /nfs/dbraw/zinc/95/13/62/385951362.db2.gz WIVHTUPQAMZBAY-MNOVXSKESA-N 2 0 244.383 0.753 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH2+]CC1 ZINC000417447080 385956892 /nfs/dbraw/zinc/95/68/92/385956892.db2.gz OHGYFFIFZAGSTM-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000417446801 385957996 /nfs/dbraw/zinc/95/79/96/385957996.db2.gz NHGKKHYJNZEVGU-GHMZBOCLSA-N 2 0 244.383 0.705 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000417447849 385959413 /nfs/dbraw/zinc/95/94/13/385959413.db2.gz RWEQPWJYLHYOSA-MNOVXSKESA-N 2 0 242.367 0.378 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251311509 385964225 /nfs/dbraw/zinc/96/42/25/385964225.db2.gz KKPQCLFVBATCJJ-WCQYABFASA-N 2 0 239.363 0.811 20 0 BCADRP CCCCNC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000111612392 385968645 /nfs/dbraw/zinc/96/86/45/385968645.db2.gz NWKOGVAVGNXMGC-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000295263900 386002688 /nfs/dbraw/zinc/00/26/88/386002688.db2.gz VCVAPQXICVNVJJ-LDYMZIIASA-N 2 0 234.303 0.521 20 0 BCADRP C[NH2+]CC1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000309333124 386006655 /nfs/dbraw/zinc/00/66/55/386006655.db2.gz UJRKIPCQXSBFBF-UHFFFAOYSA-N 2 0 222.336 0.884 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000334433803 386056065 /nfs/dbraw/zinc/05/60/65/386056065.db2.gz XVJIVZTYKCDJOF-ZYHUDNBSSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@]1(C(=O)NC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000128760831 386007958 /nfs/dbraw/zinc/00/79/58/386007958.db2.gz FAULNUUQOIHDON-CYBMUJFWSA-N 2 0 239.363 0.729 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000295306531 386011097 /nfs/dbraw/zinc/01/10/97/386011097.db2.gz YCDKQEBSWTYXHI-WCQYABFASA-N 2 0 247.342 0.815 20 0 BCADRP CC[N@H+](CCNC(=O)NC[C@@H](C)C[NH3+])C(C)C ZINC000417458814 386011794 /nfs/dbraw/zinc/01/17/94/386011794.db2.gz IOLHKOPDHHKPPL-NSHDSACASA-N 2 0 244.383 0.611 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000295307727 386012391 /nfs/dbraw/zinc/01/23/91/386012391.db2.gz VTZFTWQJRYLIBZ-PWSUYJOCSA-N 2 0 235.331 0.848 20 0 BCADRP C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H]1C[NH2+]CCN1C ZINC000414976083 386015936 /nfs/dbraw/zinc/01/59/36/386015936.db2.gz NJNYYCCDTHKHHK-AGIUHOORSA-N 3 0 240.395 0.010 20 0 BCADRP CN(C[C@@H](O)C[N@H+](C)C[C@H]1CCOC1)C1CC1 ZINC000336729344 386105289 /nfs/dbraw/zinc/10/52/89/386105289.db2.gz XGJJXZXFRYMNDD-YPMHNXCESA-N 2 0 242.363 0.410 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000054132960 386111380 /nfs/dbraw/zinc/11/13/80/386111380.db2.gz IGGPGVLWCAMLJH-GFCCVEGCSA-N 2 0 235.331 0.754 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000054337792 386120400 /nfs/dbraw/zinc/12/04/00/386120400.db2.gz KHXOWLDBBSHHNE-NSHDSACASA-N 2 0 227.352 0.573 20 0 BCADRP C[NH2+][C@@H]1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414649189 386059311 /nfs/dbraw/zinc/05/93/11/386059311.db2.gz CBKXUSIWLUIGHG-IJLUTSLNSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335073462 386065035 /nfs/dbraw/zinc/06/50/35/386065035.db2.gz NPVMNMDGSASFFK-MNOVXSKESA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335073466 386065177 /nfs/dbraw/zinc/06/51/77/386065177.db2.gz NPVMNMDGSASFFK-WDEREUQCSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1CCN(C(=O)C2(C)C[NH2+]C2)C[C@H]1C[NH3+] ZINC000335073183 386065775 /nfs/dbraw/zinc/06/57/75/386065775.db2.gz HSURPNMNYXOXGW-VHSXEESVSA-N 2 0 225.336 0.039 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000274384003 386096520 /nfs/dbraw/zinc/09/65/20/386096520.db2.gz BPVLKXGYMUAAKM-VXGBXAGGSA-N 2 0 249.358 0.970 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000647870814 386098254 /nfs/dbraw/zinc/09/82/54/386098254.db2.gz ARLFSHXVFRPAIT-KXNHARMFSA-N 2 0 239.363 0.569 20 0 BCADRP [NH3+]CC1(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000414662523 386098429 /nfs/dbraw/zinc/09/84/29/386098429.db2.gz AGBICAHENZGLII-SDDRHHMPSA-N 2 0 223.364 0.785 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000647874919 386144256 /nfs/dbraw/zinc/14/42/56/386144256.db2.gz JWPNCHOHCBGKOX-GRYCIOLGSA-N 2 0 241.379 0.960 20 0 BCADRP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414676067 386149854 /nfs/dbraw/zinc/14/98/54/386149854.db2.gz USCMLDZZFVVJBL-GFCCVEGCSA-N 2 0 241.379 0.916 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055086329 386154135 /nfs/dbraw/zinc/15/41/35/386154135.db2.gz UYMTYURJCZULGW-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP CC[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CCOC1 ZINC000647878405 386160114 /nfs/dbraw/zinc/16/01/14/386160114.db2.gz DAAPVVUCQNUOFF-CYBMUJFWSA-N 2 0 241.379 0.250 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@@H]2C(N)=O)CC[NH2+]1 ZINC000414681594 386163573 /nfs/dbraw/zinc/16/35/73/386163573.db2.gz PMYFCGIKIUYOHZ-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](C[NH+](C)C)NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000346139737 386165788 /nfs/dbraw/zinc/16/57/88/386165788.db2.gz OMTCGVZTZUKKIL-ZYHUDNBSSA-N 2 0 239.363 0.680 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C[NH+](C)C ZINC000338893399 386168671 /nfs/dbraw/zinc/16/86/71/386168671.db2.gz KHLSANRGWVCMCH-UHFFFAOYSA-N 2 0 215.341 0.348 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000338896869 386169743 /nfs/dbraw/zinc/16/97/43/386169743.db2.gz PNYNSVFHVUFFGN-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCNC1 ZINC000414996187 386176549 /nfs/dbraw/zinc/17/65/49/386176549.db2.gz OGPQIMPIPWRKQB-IJLVLRJLSA-N 2 0 223.364 0.844 20 0 BCADRP COC(=O)C(C)(C)CC[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414895439 386191117 /nfs/dbraw/zinc/19/11/17/386191117.db2.gz XAUAWPBUZDSUOH-SNVBAGLBSA-N 2 0 228.336 0.903 20 0 BCADRP O[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000393458176 386130767 /nfs/dbraw/zinc/13/07/67/386130767.db2.gz FRKAQTZRFUGHEK-DDHJBXDOSA-N 2 0 210.321 0.726 20 0 BCADRP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000414669917 386134775 /nfs/dbraw/zinc/13/47/75/386134775.db2.gz CFAMYIMCZJVKNB-WOPDTQHZSA-N 2 0 241.379 0.946 20 0 BCADRP COC(=O)C[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414671609 386141816 /nfs/dbraw/zinc/14/18/16/386141816.db2.gz GOCQVEQURMVVGF-NXEZZACHSA-N 2 0 214.309 0.479 20 0 BCADRP Cn1cccc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000382368022 386142928 /nfs/dbraw/zinc/14/29/28/386142928.db2.gz XUGPSUYGOSFHCY-QWRGUYRKSA-N 2 0 205.305 0.676 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](CO)OC[C@H]2C)CC[NH2+]1 ZINC000414702519 386211181 /nfs/dbraw/zinc/21/11/81/386211181.db2.gz HWOIFBPMCMMHRT-FDYHWXHSSA-N 2 0 242.363 0.456 20 0 BCADRP CNC(=O)[C@H](C)C[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414704800 386215054 /nfs/dbraw/zinc/21/50/54/386215054.db2.gz JRBPLZIMFMMOGX-GRYCIOLGSA-N 2 0 241.379 0.688 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645306121 386219609 /nfs/dbraw/zinc/21/96/09/386219609.db2.gz KFBNREMZDNBCLX-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP CN(CC[NH3+])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000417512760 386238833 /nfs/dbraw/zinc/23/88/33/386238833.db2.gz YYJGBHYJJLTCEQ-UHFFFAOYSA-N 2 0 242.367 0.461 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000638351018 386239651 /nfs/dbraw/zinc/23/96/51/386239651.db2.gz RVOUGVFPFYRZCB-KXUCPTDWSA-N 2 0 213.325 0.241 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)NC(C)(C)CC[NH3+] ZINC000638355364 386245723 /nfs/dbraw/zinc/24/57/23/386245723.db2.gz JZESGLXYGAEKLO-UHFFFAOYSA-N 2 0 239.319 0.904 20 0 BCADRP C[C@@H](NC(=O)C[NH+](C)C)C1=CC[N@H+](C)CC1 ZINC000275956677 386255961 /nfs/dbraw/zinc/25/59/61/386255961.db2.gz HQBGZVYEXYARSY-SNVBAGLBSA-N 2 0 225.336 0.315 20 0 BCADRP CC[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414695137 386197975 /nfs/dbraw/zinc/19/79/75/386197975.db2.gz OEBDJPSKICXIGC-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]CCCN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000414730508 386284595 /nfs/dbraw/zinc/28/45/95/386284595.db2.gz GNJQHXOZVCJHRJ-QWHCGFSZSA-N 2 0 219.332 0.762 20 0 BCADRP CN(C)CC(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000264974498 386289959 /nfs/dbraw/zinc/28/99/59/386289959.db2.gz BXAOTYBWBTWNPD-UHFFFAOYSA-N 2 0 245.286 0.767 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1CCC[N@H+](CC)CC1 ZINC000331939148 386306158 /nfs/dbraw/zinc/30/61/58/386306158.db2.gz IFYBBNNQMNMZGZ-LLVKDONJSA-N 2 0 242.367 0.461 20 0 BCADRP C[C@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)CCCC[NH2+]1 ZINC000180897130 386306954 /nfs/dbraw/zinc/30/69/54/386306954.db2.gz CSBDGWHPHDGWQA-WCQYABFASA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000331942057 386309575 /nfs/dbraw/zinc/30/95/75/386309575.db2.gz XRXGWSJEGLIOLS-NGZCFLSTSA-N 2 0 240.351 0.116 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000237924307 259685333 /nfs/dbraw/zinc/68/53/33/259685333.db2.gz HPAFEEHIFRMURI-SRVKXCTJSA-N 2 0 239.363 0.844 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000236899528 386323202 /nfs/dbraw/zinc/32/32/02/386323202.db2.gz QRCAIDMWVGWHPU-JTQLQIEISA-N 2 0 213.325 0.135 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1([NH+](C)C)CC1 ZINC000416308442 386270925 /nfs/dbraw/zinc/27/09/25/386270925.db2.gz QPQMTSFRJVEXPT-WDEREUQCSA-N 2 0 239.363 0.395 20 0 BCADRP C[NH+](C)C[C@@H]1CC[N@H+](CC2(O)CCC2)C1 ZINC000336653902 386272989 /nfs/dbraw/zinc/27/29/89/386272989.db2.gz ZFFOLNLSCSBVLX-NSHDSACASA-N 2 0 212.337 0.785 20 0 BCADRP C[C@@H](O)C[N@H+](CCO)CC[C@H]1CCC[NH+]1C ZINC000336656821 386274060 /nfs/dbraw/zinc/27/40/60/386274060.db2.gz LRFJWBBAKVPQSA-VXGBXAGGSA-N 2 0 230.352 0.146 20 0 BCADRP C[C@H](CNC(=O)/C=C/C[NH+](C)C)[NH+](C)C ZINC000265602996 386350179 /nfs/dbraw/zinc/35/01/79/386350179.db2.gz CRFHPONINXTVAH-VQCYPWCPSA-N 2 0 213.325 0.171 20 0 BCADRP C[NH+](C)C/C=C/C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000265708516 386362035 /nfs/dbraw/zinc/36/20/35/386362035.db2.gz UJWYFCIZTABJLK-QRGHLMKCSA-N 2 0 225.336 0.267 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000237314495 386369584 /nfs/dbraw/zinc/36/95/84/386369584.db2.gz NOGCBHGGZVZUMA-NXEZZACHSA-N 2 0 229.368 0.816 20 0 BCADRP C[N@H+](CCCOc1ccccc1)C[C@@H](O)C[NH3+] ZINC000336732035 386370002 /nfs/dbraw/zinc/37/00/02/386370002.db2.gz ZEJHSAMTJMEBAZ-LBPRGKRZSA-N 2 0 238.331 0.707 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000347371852 386371364 /nfs/dbraw/zinc/37/13/64/386371364.db2.gz QEHSCXBKGPHWLL-JTQLQIEISA-N 2 0 213.325 0.278 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCC[NH+]1CCCCC1 ZINC000133768151 386377369 /nfs/dbraw/zinc/37/73/69/386377369.db2.gz QOWNPBIITJSKBO-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH+](CC)CCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000416786277 386381359 /nfs/dbraw/zinc/38/13/59/386381359.db2.gz CMFHSIUVJSOWLP-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C[NH2+]C ZINC000226396679 386385135 /nfs/dbraw/zinc/38/51/35/386385135.db2.gz FBNZSNCVCFUJBT-SECBINFHSA-N 2 0 201.314 0.052 20 0 BCADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000340599823 386327874 /nfs/dbraw/zinc/32/78/74/386327874.db2.gz HVXVRHAYGTUOBY-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP COCCC[N@H+](CCO)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414742994 386332008 /nfs/dbraw/zinc/33/20/08/386332008.db2.gz GUOSIPNSVBUAAF-OLZOCXBDSA-N 2 0 244.379 0.705 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@@H]1CC[NH2+]C1 ZINC000647989047 386334203 /nfs/dbraw/zinc/33/42/03/386334203.db2.gz BOLBIWGLRPDUGO-IJLUTSLNSA-N 2 0 211.353 0.620 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000417002705 386437250 /nfs/dbraw/zinc/43/72/50/386437250.db2.gz GJSRKYIRJNKVHZ-GMTAPVOTSA-N 2 0 244.383 0.752 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000417043704 386438076 /nfs/dbraw/zinc/43/80/76/386438076.db2.gz XOFMNCPSAPRLNH-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCNC1=O ZINC000414767271 386438485 /nfs/dbraw/zinc/43/84/85/386438485.db2.gz SIAHNQMEDGSPOE-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000417043707 386438580 /nfs/dbraw/zinc/43/85/80/386438580.db2.gz XOFMNCPSAPRLNH-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000417043705 386439198 /nfs/dbraw/zinc/43/91/98/386439198.db2.gz XOFMNCPSAPRLNH-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)N[C@H](C)C[NH3+] ZINC000417607869 386439767 /nfs/dbraw/zinc/43/97/67/386439767.db2.gz HNAMKRFZTHGRQN-SNVBAGLBSA-N 2 0 230.356 0.365 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)NC[C@@H](C)C[NH3+] ZINC000417606400 386440228 /nfs/dbraw/zinc/44/02/28/386440228.db2.gz DVMODRLDDLOFAO-NSHDSACASA-N 2 0 244.383 0.612 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000417612691 386450093 /nfs/dbraw/zinc/45/00/93/386450093.db2.gz RNYIQQSAPIEWNL-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP CC(C)[NH+](CCNC(=O)N[C@H](C)C[NH3+])C(C)C ZINC000416797274 386387782 /nfs/dbraw/zinc/38/77/82/386387782.db2.gz AKNHQZXTCIJMKH-LLVKDONJSA-N 2 0 244.383 0.752 20 0 BCADRP CC[NH+](CC)CCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000416796345 386388098 /nfs/dbraw/zinc/38/80/98/386388098.db2.gz AFOGABFQEJZQEI-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)C[NH3+] ZINC000417583697 386412988 /nfs/dbraw/zinc/41/29/88/386412988.db2.gz LILPPBQMZNCHQV-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)C[NH3+] ZINC000417583696 386413304 /nfs/dbraw/zinc/41/33/04/386413304.db2.gz LILPPBQMZNCHQV-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](CCC[NH3+])[C@@H]1C ZINC000414761988 386421400 /nfs/dbraw/zinc/42/14/00/386421400.db2.gz VEHRTEGNMJMTSK-RKDXNWHRSA-N 2 0 200.282 0.219 20 0 BCADRP C[C@H]1C[C@H](O)C[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414761508 386421533 /nfs/dbraw/zinc/42/15/33/386421533.db2.gz UABRMEYMDMUEAR-KXNHARMFSA-N 2 0 212.337 0.830 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000237999736 386430302 /nfs/dbraw/zinc/43/03/02/386430302.db2.gz MBJJNFKXQHNFJS-STQMWFEESA-N 2 0 247.342 0.945 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000347471806 386432612 /nfs/dbraw/zinc/43/26/12/386432612.db2.gz HRFNAELRMPNEAW-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1CC[NH2+]C[C@](C)(F)C1 ZINC000414766182 386433366 /nfs/dbraw/zinc/43/33/66/386433366.db2.gz DHLRTJIYFUWXCI-NEPJUHHUSA-N 2 0 231.359 0.993 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)NC(C)(C)C[NH3+] ZINC000417010948 386434954 /nfs/dbraw/zinc/43/49/54/386434954.db2.gz QUGMQTFLHWQXCZ-SNVBAGLBSA-N 2 0 244.383 0.753 20 0 BCADRP C[C@@H](CNC(=O)NCC[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000417009696 386435094 /nfs/dbraw/zinc/43/50/94/386435094.db2.gz KOGPGJWXZHBBBY-MNOVXSKESA-N 2 0 242.367 0.365 20 0 BCADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)C[NH3+])C1 ZINC000417243122 386466331 /nfs/dbraw/zinc/46/63/31/386466331.db2.gz VDKPPZYOGBYYTP-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)[C@H](C)[NH3+] ZINC000417276946 386471448 /nfs/dbraw/zinc/47/14/48/386471448.db2.gz FOCFDDOHPOSSAH-AEJSXWLSSA-N 2 0 228.340 0.116 20 0 BCADRP CC[C@@H]1C[N@H+](CCC(=O)N(C)CC)CC[C@@H]1[NH3+] ZINC000647934787 386480405 /nfs/dbraw/zinc/48/04/05/386480405.db2.gz QGNFYFJERRLDCQ-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000417315839 386483884 /nfs/dbraw/zinc/48/38/84/386483884.db2.gz DDOMAIBLFMOBJU-QWRGUYRKSA-N 2 0 244.383 0.481 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000335430618 386485587 /nfs/dbraw/zinc/48/55/87/386485587.db2.gz SKFAHXYKUKJJMS-BXKDBHETSA-N 2 0 233.315 0.418 20 0 BCADRP CC[NH+](CC)CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000183326576 386486284 /nfs/dbraw/zinc/48/62/84/386486284.db2.gz NERIXNADWMHLMR-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000417318081 386495061 /nfs/dbraw/zinc/49/50/61/386495061.db2.gz KTNRMOZULYZCMO-WDEREUQCSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)NCC[C@H](C)[NH3+] ZINC000417317282 386495545 /nfs/dbraw/zinc/49/55/45/386495545.db2.gz ICOWSRCZZINCIQ-VHSXEESVSA-N 2 0 230.356 0.363 20 0 BCADRP C([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000415013678 386495748 /nfs/dbraw/zinc/49/57/48/386495748.db2.gz VFWYTJLSGNVUPD-FPMFFAJLSA-N 3 0 237.391 0.964 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)C[NH3+])C[NH+]1CCCC1 ZINC000062073593 386496548 /nfs/dbraw/zinc/49/65/48/386496548.db2.gz JQYLTYGBZVEXNG-MNOVXSKESA-N 2 0 227.352 0.429 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000519598992 386496702 /nfs/dbraw/zinc/49/67/02/386496702.db2.gz KGIDQINRIRXLRZ-PWSUYJOCSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH3+] ZINC000417323214 386498421 /nfs/dbraw/zinc/49/84/21/386498421.db2.gz GHJVKUICCXTAJF-QWRGUYRKSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@@H]1C[C@@H](CN2CC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000414780518 386498714 /nfs/dbraw/zinc/49/87/14/386498714.db2.gz BMFWWIWAWCXROC-XQHKEYJVSA-N 2 0 223.364 0.668 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062888051 386529534 /nfs/dbraw/zinc/52/95/34/386529534.db2.gz DVKLBSKBZWHPED-ZDUSSCGKSA-N 2 0 241.379 0.690 20 0 BCADRP CC(C)C[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000062116051 386502592 /nfs/dbraw/zinc/50/25/92/386502592.db2.gz WSMVDXRKMRLILC-VXGBXAGGSA-N 2 0 241.379 0.688 20 0 BCADRP CN(C(=O)[C@H]1CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000062112336 386503330 /nfs/dbraw/zinc/50/33/30/386503330.db2.gz OPYRRNVHWUSOEF-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP Cc1c[nH]nc1CN1C[C@H](C[NH3+])C[C@H]1C ZINC000335448312 386517386 /nfs/dbraw/zinc/51/73/86/386517386.db2.gz MNTKLOFFIMRYKX-ZJUUUORDSA-N 2 0 208.309 0.887 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062861122 386530162 /nfs/dbraw/zinc/53/01/62/386530162.db2.gz IYMBZBFMQUSGCV-CYBMUJFWSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@H]1C[C@H](C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC000415033982 386521950 /nfs/dbraw/zinc/52/19/50/386521950.db2.gz JHSNZXJHHCWQGD-KVSVUVNWSA-N 2 0 224.348 0.999 20 0 BCADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC000415038712 386524226 /nfs/dbraw/zinc/52/42/26/386524226.db2.gz OFCLRDMMQRWKAU-BNDIWNMDSA-N 2 0 224.348 0.997 20 0 BCADRP C[C@H]1C[C@@H]1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414787583 386526532 /nfs/dbraw/zinc/52/65/32/386526532.db2.gz ZGAQMBHIWAVZNP-NWDGAFQWSA-N 2 0 211.353 0.527 20 0 BCADRP C[C@H](CNC(=O)[C@@H]([NH3+])C1CCC1)[NH+](C)C ZINC000399223146 386459965 /nfs/dbraw/zinc/45/99/65/386459965.db2.gz LKUFORIRDMWYOF-SCZZXKLOSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH2+]CCNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000417131086 386461407 /nfs/dbraw/zinc/46/14/07/386461407.db2.gz CPBRVTTVCSUYRH-LLVKDONJSA-N 2 0 242.367 0.237 20 0 BCADRP C[C@@H]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000638422431 386462690 /nfs/dbraw/zinc/46/26/90/386462690.db2.gz BYSIWCOWRSWACN-USWWRNFRSA-N 2 0 237.347 0.620 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226403717 386464748 /nfs/dbraw/zinc/46/47/48/386464748.db2.gz HOZUDCICINUDKJ-GUBZILKMSA-N 2 0 213.325 0.323 20 0 BCADRP Cc1ccc(C[NH2+]CCCN2CC[NH2+]CC2)nc1 ZINC000414774409 386465770 /nfs/dbraw/zinc/46/57/70/386465770.db2.gz BCXPRWILLMJQLV-UHFFFAOYSA-N 2 0 248.374 0.775 20 0 BCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)C[NH3+])C1 ZINC000417243119 386465836 /nfs/dbraw/zinc/46/58/36/386465836.db2.gz VDKPPZYOGBYYTP-MNOVXSKESA-N 2 0 242.367 0.365 20 0 BCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)C[NH3+])C1 ZINC000417243121 386465911 /nfs/dbraw/zinc/46/59/11/386465911.db2.gz VDKPPZYOGBYYTP-QWRGUYRKSA-N 2 0 242.367 0.365 20 0 BCADRP CC1(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)CC[NH2+]CC1 ZINC000335411172 386574365 /nfs/dbraw/zinc/57/43/65/386574365.db2.gz DLCDATQUZNZEDW-MFKMUULPSA-N 2 0 237.347 0.244 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000647779458 386581463 /nfs/dbraw/zinc/58/14/63/386581463.db2.gz KQVJWNUFXLSUPI-JQWIXIFHSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+]CC1(CC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000335423729 386598973 /nfs/dbraw/zinc/59/89/73/386598973.db2.gz NJDHPTRHLUQAKU-WDEREUQCSA-N 2 0 237.347 0.183 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000647905612 386594811 /nfs/dbraw/zinc/59/48/11/386594811.db2.gz KXRDWVQGMRVVKM-CMPLNLGQSA-N 2 0 235.331 0.554 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000647905614 386596064 /nfs/dbraw/zinc/59/60/64/386596064.db2.gz KXRDWVQGMRVVKM-PWSUYJOCSA-N 2 0 235.331 0.554 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000335455194 386531733 /nfs/dbraw/zinc/53/17/33/386531733.db2.gz NRMVLIFYEIJVEG-AOOOYVTPSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000417675167 386531849 /nfs/dbraw/zinc/53/18/49/386531849.db2.gz BHOMDPFKEPBHIS-UWVGGRQHSA-N 2 0 240.351 0.260 20 0 BCADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C12CCC2 ZINC000415047460 386534751 /nfs/dbraw/zinc/53/47/51/386534751.db2.gz YUVJNNAJOYJZOZ-BSKUUZOQSA-N 2 0 236.359 0.997 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062972769 386534857 /nfs/dbraw/zinc/53/48/57/386534857.db2.gz UVVBUFAJFQQSTB-QWRGUYRKSA-N 2 0 227.352 0.666 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000062972647 386536052 /nfs/dbraw/zinc/53/60/52/386536052.db2.gz PISBFLKPNWOLSG-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP CCC[C@H](C)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000519703055 386536990 /nfs/dbraw/zinc/53/69/90/386536990.db2.gz DUWAQSCVJSRLLC-QJPTWQEYSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+]CC[C@H](NCC1CC[NH2+]CC1)C(F)F ZINC000519708821 386538666 /nfs/dbraw/zinc/53/86/66/386538666.db2.gz NKVHHIDRWSCFDD-VIFPVBQESA-N 2 0 221.295 0.558 20 0 BCADRP c1cnc(N[C@H]2CCN(C[C@@H]3CC[NH2+]C3)C2)nc1 ZINC000647995344 386539513 /nfs/dbraw/zinc/53/95/13/386539513.db2.gz QNBLHRWVDPQJLK-NEPJUHHUSA-N 2 0 247.346 0.572 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000335460899 386544033 /nfs/dbraw/zinc/54/40/33/386544033.db2.gz HCWLXDVFWAQAAK-ZANVPECISA-N 2 0 245.326 0.852 20 0 BCADRP [NH3+]C1(C(=O)N2CC[NH+]3CCC2CC3)CCC1 ZINC000335463130 386547545 /nfs/dbraw/zinc/54/75/45/386547545.db2.gz LCUKYFJWXIXVKR-UHFFFAOYSA-N 2 0 223.320 0.174 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC000165080728 386547845 /nfs/dbraw/zinc/54/78/45/386547845.db2.gz WXOZFLSCCOXXAC-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000335463097 386548672 /nfs/dbraw/zinc/54/86/72/386548672.db2.gz KQSZNOLNXSIDDU-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H](C(=O)N[C@H](CC[NH3+])C(F)F)[C@H](C)[NH3+] ZINC000519771746 386554184 /nfs/dbraw/zinc/55/41/84/386554184.db2.gz MUDXMNPNBQCROI-DSYKOEDSSA-N 2 0 223.267 0.068 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[NH+]2CCC1CC2 ZINC000519771676 386555529 /nfs/dbraw/zinc/55/55/29/386555529.db2.gz NFTVKLNEHQGKAE-UHFFFAOYSA-N 2 0 225.336 0.293 20 0 BCADRP C[C@@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)[NH+](C)C ZINC000332057376 386557131 /nfs/dbraw/zinc/55/71/31/386557131.db2.gz XPEUOESKNYQTDE-QWRGUYRKSA-N 2 0 242.367 0.378 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000417691008 386557910 /nfs/dbraw/zinc/55/79/10/386557910.db2.gz WHGASBCUZGGCSF-JTQLQIEISA-N 2 0 240.351 0.132 20 0 BCADRP C[C@@H]([NH3+])CN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000335405055 386560669 /nfs/dbraw/zinc/56/06/69/386560669.db2.gz CATRXFYHMXUVQE-MFKMUULPSA-N 2 0 219.332 0.892 20 0 BCADRP COCCC[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000062031625 386561406 /nfs/dbraw/zinc/56/14/06/386561406.db2.gz YKAGIJXGJBGJEV-LLVKDONJSA-N 2 0 200.326 0.954 20 0 BCADRP O=C1NCC[C@@H]1N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904041 386561810 /nfs/dbraw/zinc/56/18/10/386561810.db2.gz VJHRPTWLILMQII-SRVKXCTJSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H](NC(=O)C1([NH3+])CCC1)[C@@H]1CCC[NH2+]C1 ZINC000335406998 386566756 /nfs/dbraw/zinc/56/67/56/386566756.db2.gz OAXLJSVSKXIAOC-NXEZZACHSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000062116899 386568035 /nfs/dbraw/zinc/56/80/35/386568035.db2.gz ZAWTUAAKZSTYLZ-JTQLQIEISA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@]1(C(=O)NC2CCC([NH3+])CC2)CCCC[NH2+]1 ZINC000136125786 386568543 /nfs/dbraw/zinc/56/85/43/386568543.db2.gz GZIQRNMRAXCQBD-XIVSLSHWSA-N 2 0 239.363 0.905 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903581 386570183 /nfs/dbraw/zinc/57/01/83/386570183.db2.gz MLVUMULLRUAJGS-QWHCGFSZSA-N 3 0 241.379 0.426 20 0 BCADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000647997619 386619532 /nfs/dbraw/zinc/61/95/32/386619532.db2.gz SGIJMLMVIQHUKL-IJLUTSLNSA-N 2 0 212.337 0.831 20 0 BCADRP CC(C)([NH3+])CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000183370609 386622406 /nfs/dbraw/zinc/62/24/06/386622406.db2.gz ZCKOMUVDZTYGTP-UHFFFAOYSA-N 2 0 227.352 0.620 20 0 BCADRP CCN(C)C(=O)[C@H](C)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415104726 386623952 /nfs/dbraw/zinc/62/39/52/386623952.db2.gz LJGKDPAENSUJHX-GRYCIOLGSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+]CCCN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415123599 386627796 /nfs/dbraw/zinc/62/77/96/386627796.db2.gz LKHHGZLFERIYFP-WCQYABFASA-N 2 0 237.322 0.901 20 0 BCADRP CC1(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C[NH2+]C1 ZINC000335502800 386632168 /nfs/dbraw/zinc/63/21/68/386632168.db2.gz ZTMVKOSYSPYOPD-CYBMUJFWSA-N 2 0 237.347 0.198 20 0 BCADRP C[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000337190276 386642434 /nfs/dbraw/zinc/64/24/34/386642434.db2.gz SIWZLKHPEDARJX-QNWHQSFQSA-N 2 0 242.363 0.551 20 0 BCADRP COC[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)OC ZINC000336758683 386647415 /nfs/dbraw/zinc/64/74/15/386647415.db2.gz IMLCRCITUJZBOE-SRVKXCTJSA-N 2 0 230.352 0.578 20 0 BCADRP CCOC[C@H](O)CN(C)CCC[NH+]1CCCC1 ZINC000337198790 386649302 /nfs/dbraw/zinc/64/93/02/386649302.db2.gz AMDPRWHEDQDGHG-CYBMUJFWSA-N 2 0 244.379 0.802 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000335513089 386649995 /nfs/dbraw/zinc/64/99/95/386649995.db2.gz VQMSLDCRNPMFAL-NSHDSACASA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)C[C@H](C)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000336644902 386599157 /nfs/dbraw/zinc/59/91/57/386599157.db2.gz AUXOINLHSQEBFO-WDEREUQCSA-N 2 0 202.342 0.920 20 0 BCADRP [NH3+]CCNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000417721786 386599370 /nfs/dbraw/zinc/59/93/70/386599370.db2.gz YQXWIKZYFUEQRB-JTQLQIEISA-N 2 0 240.351 0.261 20 0 BCADRP [NH3+]CCNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000417721787 386599485 /nfs/dbraw/zinc/59/94/85/386599485.db2.gz YQXWIKZYFUEQRB-SNVBAGLBSA-N 2 0 240.351 0.261 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000335425033 386601539 /nfs/dbraw/zinc/60/15/39/386601539.db2.gz VJIGXVWJVYNCFV-VIFPVBQESA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000520228405 386608295 /nfs/dbraw/zinc/60/82/95/386608295.db2.gz JTOPDQWOQYBGMN-BIIVOSGPSA-N 2 0 235.278 0.083 20 0 BCADRP CC(C)(C)[C@@H](O)C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415090463 386611197 /nfs/dbraw/zinc/61/11/97/386611197.db2.gz OXOKRGSOSFFATE-JQWIXIFHSA-N 2 0 214.353 0.983 20 0 BCADRP C[C@@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000414924050 386614033 /nfs/dbraw/zinc/61/40/33/386614033.db2.gz JKXKWTFNKRIZPJ-SDDRHHMPSA-N 2 0 211.353 0.859 20 0 BCADRP COC[C@@H]1C[C@H](OC)C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000415109312 386616494 /nfs/dbraw/zinc/61/64/94/386616494.db2.gz RASCREYYSJMBQV-AVGNSLFASA-N 2 0 242.363 0.722 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)C[NH3+] ZINC000638490549 386616871 /nfs/dbraw/zinc/61/68/71/386616871.db2.gz YJYCZDAFSLZHPV-UWVGGRQHSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@@H](O)C[N@H+](C)[C@H]1CCC[NH+](C[C@H](C)O)CC1 ZINC000337183126 386655354 /nfs/dbraw/zinc/65/53/54/386655354.db2.gz NLKRIBFZIWECIU-AGIUHOORSA-N 2 0 244.379 0.534 20 0 BCADRP CCOCC[NH+]1CCN(c2nccn2C)CC1 ZINC000268629151 386672240 /nfs/dbraw/zinc/67/22/40/386672240.db2.gz OBNPAQVIKPAZLK-UHFFFAOYSA-N 2 0 238.335 0.579 20 0 BCADRP C[C@H](C(N)=O)N(C)CCC[NH+]1CCCC1 ZINC000337241417 386672871 /nfs/dbraw/zinc/67/28/71/386672871.db2.gz GTWRDMSQUHXKGY-SNVBAGLBSA-N 2 0 213.325 0.278 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000335529079 386675148 /nfs/dbraw/zinc/67/51/48/386675148.db2.gz DQLYHMAJLDIDQB-ZYHUDNBSSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]([NH3+])CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979424 386678622 /nfs/dbraw/zinc/67/86/22/386678622.db2.gz BJIVHFDGWMCVEZ-RYUDHWBXSA-N 2 0 211.353 0.894 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000520547001 386695233 /nfs/dbraw/zinc/69/52/33/386695233.db2.gz KCCNLWWVDKSCJZ-IJLUTSLNSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000520547000 386695368 /nfs/dbraw/zinc/69/53/68/386695368.db2.gz KCCNLWWVDKSCJZ-GRYCIOLGSA-N 2 0 241.379 0.816 20 0 BCADRP O=C(C[NH2+]CC1CC1)NCCC[C@@H]1CCC[NH2+]1 ZINC000520580635 386699915 /nfs/dbraw/zinc/69/99/15/386699915.db2.gz DGPCCFVFQJXMED-LBPRGKRZSA-N 2 0 239.363 0.634 20 0 BCADRP C(C[C@H]1CC[NH2+]C1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414828694 386700374 /nfs/dbraw/zinc/70/03/74/386700374.db2.gz JHQCFXQSRFOIIU-VXGBXAGGSA-N 3 0 211.353 0.575 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000520579457 386701823 /nfs/dbraw/zinc/70/18/23/386701823.db2.gz WHWAZAOJVBOIDO-RYUDHWBXSA-N 2 0 227.352 0.701 20 0 BCADRP C[C@@]1(F)CNCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000335477903 386704165 /nfs/dbraw/zinc/70/41/65/386704165.db2.gz COMKARYKXSMHOO-GFCCVEGCSA-N 2 0 229.343 0.619 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)Cn1cccn1 ZINC000414829916 386705384 /nfs/dbraw/zinc/70/53/84/386705384.db2.gz BPSLNFSUEPASFM-WDEREUQCSA-N 2 0 210.325 0.717 20 0 BCADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)Cn1cccn1 ZINC000414829906 386706887 /nfs/dbraw/zinc/70/68/87/386706887.db2.gz BPSLNFSUEPASFM-GHMZBOCLSA-N 2 0 210.325 0.717 20 0 BCADRP CN(CCOCC[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000357078911 386712453 /nfs/dbraw/zinc/71/24/53/386712453.db2.gz KMVAXAMBYXEDFU-LBPRGKRZSA-N 2 0 227.352 0.130 20 0 BCADRP [NH3+]CCOCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000357067397 386708709 /nfs/dbraw/zinc/70/87/09/386708709.db2.gz CRNPQOVASLOYBH-CYBMUJFWSA-N 2 0 241.379 0.379 20 0 BCADRP CNC(=O)c1ccc(C[NH2+]C[C@H](C)C[NH2+]C)cc1 ZINC000414838741 386738678 /nfs/dbraw/zinc/73/86/78/386738678.db2.gz LOLQUSIEAOCMMA-LLVKDONJSA-N 2 0 249.358 0.991 20 0 BCADRP CNC(=O)c1ccc(C[NH2+]C[C@@H](C)C[NH2+]C)cc1 ZINC000414838753 386739370 /nfs/dbraw/zinc/73/93/70/386739370.db2.gz LOLQUSIEAOCMMA-NSHDSACASA-N 2 0 249.358 0.991 20 0 BCADRP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)OCC1CC1 ZINC000357083390 386713527 /nfs/dbraw/zinc/71/35/27/386713527.db2.gz PDQPTALEVUXFJT-QWHCGFSZSA-N 2 0 224.348 0.954 20 0 BCADRP C[C@H](O)C[N@H+](CCOCC[NH3+])C1CCCCC1 ZINC000357084170 386714141 /nfs/dbraw/zinc/71/41/41/386714141.db2.gz ZANGOJIDBDZBCM-LBPRGKRZSA-N 2 0 244.379 0.977 20 0 BCADRP Cn1nncc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357082522 386714507 /nfs/dbraw/zinc/71/45/07/386714507.db2.gz OPDBVMBSRWOZKW-LBPRGKRZSA-N 2 0 249.362 0.637 20 0 BCADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000335485671 386714871 /nfs/dbraw/zinc/71/48/71/386714871.db2.gz GPGBQQXKLPUYTC-CABZTGNLSA-N 2 0 233.315 0.798 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000417785967 386721138 /nfs/dbraw/zinc/72/11/38/386721138.db2.gz QIJWFWWQWJCWME-KXUCPTDWSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000357246599 386746130 /nfs/dbraw/zinc/74/61/30/386746130.db2.gz YHAQOZXAIBOEAY-RYUDHWBXSA-N 2 0 239.363 0.526 20 0 BCADRP C[C@H]([NH3+])C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000165931934 386750506 /nfs/dbraw/zinc/75/05/06/386750506.db2.gz MSTAKUXVEXNZMN-NSHDSACASA-N 2 0 235.331 0.582 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000357313989 386757082 /nfs/dbraw/zinc/75/70/82/386757082.db2.gz KTSHIEPQPYGSQN-NRUUGDAUSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357350812 386763866 /nfs/dbraw/zinc/76/38/66/386763866.db2.gz JKBQNOPUKQIWFI-LLVKDONJSA-N 2 0 241.379 0.949 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000357348666 386764613 /nfs/dbraw/zinc/76/46/13/386764613.db2.gz RHRCPECHDPKZEJ-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000357348667 386765097 /nfs/dbraw/zinc/76/50/97/386765097.db2.gz RHRCPECHDPKZEJ-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000357222682 386742205 /nfs/dbraw/zinc/74/22/05/386742205.db2.gz HQHSUXLTGYSKNS-NXEZZACHSA-N 2 0 229.368 0.674 20 0 BCADRP C[C@]1(C(=O)N[C@H](C[NH3+])C2CCCC2)CC[NH2+]C1 ZINC000417835810 386794294 /nfs/dbraw/zinc/79/42/94/386794294.db2.gz OCBGXTARYGIQEX-YPMHNXCESA-N 2 0 239.363 0.620 20 0 BCADRP CC[C@H]([NH3+])C(=O)Nc1c[nH+]ccc1-n1ccnc1 ZINC000269267175 386771452 /nfs/dbraw/zinc/77/14/52/386771452.db2.gz PUSCJIKTVCQUPC-VIFPVBQESA-N 2 0 245.286 0.943 20 0 BCADRP CC1(C)C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CO1 ZINC000396537577 386771986 /nfs/dbraw/zinc/77/19/86/386771986.db2.gz QGNUALXGKPNNTJ-VXGBXAGGSA-N 2 0 242.363 0.600 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417836586 386796950 /nfs/dbraw/zinc/79/69/50/386796950.db2.gz XDGMJNPPALORPK-MNOVXSKESA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000417812604 386781205 /nfs/dbraw/zinc/78/12/05/386781205.db2.gz PVRZPUMMMGLRCP-DVVUODLYSA-N 2 0 225.336 0.228 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000417813992 386781560 /nfs/dbraw/zinc/78/15/60/386781560.db2.gz MQPZLFBNJIEKQQ-LLVKDONJSA-N 2 0 242.367 0.461 20 0 BCADRP C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@H]1C[NH3+] ZINC000417827143 386784877 /nfs/dbraw/zinc/78/48/77/386784877.db2.gz CVAPQGDUEUNYCU-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417805980 386786774 /nfs/dbraw/zinc/78/67/74/386786774.db2.gz IBSLZUCCPOJHFN-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP CO[C@H](C)C[N@H+](CCOCC[NH3+])C(C)C ZINC000336671673 386818255 /nfs/dbraw/zinc/81/82/55/386818255.db2.gz GCKOQJUCCAEFSD-LLVKDONJSA-N 2 0 218.341 0.707 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000417845189 386799624 /nfs/dbraw/zinc/79/96/24/386799624.db2.gz XKGPZHAPRPMNGG-KXNHARMFSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417841219 386800170 /nfs/dbraw/zinc/80/01/70/386800170.db2.gz PBEDATNPBSPIBR-DCAQKATOSA-N 2 0 241.379 0.959 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417840716 386800340 /nfs/dbraw/zinc/80/03/40/386800340.db2.gz SCGZSXFBTAFXHK-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CN(C(=O)C[C@@H]1CCC[NH2+]1)[C@@H](C[NH3+])C1CC1 ZINC000417845072 386800705 /nfs/dbraw/zinc/80/07/05/386800705.db2.gz RRPHBOAEZGKCNU-QWRGUYRKSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417841732 386800762 /nfs/dbraw/zinc/80/07/62/386800762.db2.gz TWSBZSMJLRPJCZ-WCBMZHEXSA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000417852306 386801676 /nfs/dbraw/zinc/80/16/76/386801676.db2.gz ZEOLCWVBTOMMQW-ZJUUUORDSA-N 2 0 229.368 0.707 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000417848240 386804702 /nfs/dbraw/zinc/80/47/02/386804702.db2.gz KISUAXWXEKCTFT-MXWKQRLJSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000417857621 386804894 /nfs/dbraw/zinc/80/48/94/386804894.db2.gz UEJLKGVUHLLZJJ-KATARQTJSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000417847422 386805208 /nfs/dbraw/zinc/80/52/08/386805208.db2.gz UQOWEOKDLFITBD-VPOLOUISSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417847662 386805401 /nfs/dbraw/zinc/80/54/01/386805401.db2.gz ZKUURDDEFVZLGI-SCZZXKLOSA-N 2 0 213.325 0.215 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000417848183 386805497 /nfs/dbraw/zinc/80/54/97/386805497.db2.gz VJAWAUHJBIZSCD-GARJFASQSA-N 2 0 241.379 0.864 20 0 BCADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](C)O)C1 ZINC000192988542 386806771 /nfs/dbraw/zinc/80/67/71/386806771.db2.gz JBYBXOCSRLLDNZ-GHMZBOCLSA-N 2 0 200.326 0.641 20 0 BCADRP FC1(F)CC[NH2+]C[C@@H]1NC[C@H]1CCC[NH2+]C1 ZINC000334844029 386891114 /nfs/dbraw/zinc/89/11/14/386891114.db2.gz BURSQSGVYIIHMJ-UWVGGRQHSA-N 2 0 233.306 0.573 20 0 BCADRP C[C@H]1[C@@H](NC(=O)NCC(C)(C)[NH3+])CCC[N@@H+]1C ZINC000418010792 386891144 /nfs/dbraw/zinc/89/11/44/386891144.db2.gz WEACIKKTWJJNHL-UWVGGRQHSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@H]1[C@H](NC(=O)NCC(C)(C)[NH3+])CCC[N@@H+]1C ZINC000418010795 386891581 /nfs/dbraw/zinc/89/15/81/386891581.db2.gz WEACIKKTWJJNHL-VHSXEESVSA-N 2 0 242.367 0.506 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)CC[NH3+])C1 ZINC000166356418 386854046 /nfs/dbraw/zinc/85/40/46/386854046.db2.gz YZZKUITVBIXDHA-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CCC[NH2+]1 ZINC000331487663 386861431 /nfs/dbraw/zinc/86/14/31/386861431.db2.gz QRBDVYIRBHJQCN-TUAOUCFPSA-N 2 0 211.353 0.988 20 0 BCADRP C[NH+](C)C1(CNC(=O)C2([NH3+])CC2)CCCC1 ZINC000125647253 386861595 /nfs/dbraw/zinc/86/15/95/386861595.db2.gz JNHLFXZZABAJFE-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000341263501 386871316 /nfs/dbraw/zinc/87/13/16/386871316.db2.gz PFXXSYOKPXPWJY-GRYCIOLGSA-N 2 0 241.379 0.498 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH+](C)C ZINC000341274501 386874705 /nfs/dbraw/zinc/87/47/05/386874705.db2.gz CBIMFARPHKICQX-MNOVXSKESA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH+](C)C ZINC000341274502 386875527 /nfs/dbraw/zinc/87/55/27/386875527.db2.gz CBIMFARPHKICQX-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000334839616 386882232 /nfs/dbraw/zinc/88/22/32/386882232.db2.gz NLVFJQSAWCSDQC-MMVSWEMESA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)[C@@H]2CCOC2)CC[N@@H+]1C ZINC000358049301 386886442 /nfs/dbraw/zinc/88/64/42/386886442.db2.gz QSRITLQOLPTHGK-LPWJVIDDSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H](C)[NH3+] ZINC000331746176 386889900 /nfs/dbraw/zinc/88/99/00/386889900.db2.gz DBYOWNLCCYCFLU-IVZWLZJFSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@]1(CNC(=O)[C@@H]([NH3+])C2CCC2)CCC[NH2+]C1 ZINC000331827174 386915508 /nfs/dbraw/zinc/91/55/08/386915508.db2.gz CURSKYZOOZMXSS-AAEUAGOBSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000331855463 386916336 /nfs/dbraw/zinc/91/63/36/386916336.db2.gz MVLCDZYDGWOOPF-JMJZKYOTSA-N 2 0 225.336 0.228 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335763515 386904297 /nfs/dbraw/zinc/90/42/97/386904297.db2.gz MIOHQRCUTRLDRZ-DGCLKSJQSA-N 2 0 239.363 0.716 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000341521257 386920872 /nfs/dbraw/zinc/92/08/72/386920872.db2.gz XWIQDKFHRDAXJD-NWDGAFQWSA-N 2 0 241.379 0.642 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1CN[C@H]1CC[NH2+]C1 ZINC000334865366 386922078 /nfs/dbraw/zinc/92/20/78/386922078.db2.gz TXQRWKKFTDQXEI-WDEREUQCSA-N 2 0 211.353 0.716 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1CN[C@H]1CC[NH2+]C1 ZINC000334865365 386922144 /nfs/dbraw/zinc/92/21/44/386922144.db2.gz TXQRWKKFTDQXEI-QWRGUYRKSA-N 2 0 211.353 0.716 20 0 BCADRP CC1(C[NH2+][C@H]2CCCNC2)CC[NH2+]CC1 ZINC000334867081 386923243 /nfs/dbraw/zinc/92/32/43/386923243.db2.gz ZPLQNSZDLVCPIE-NSHDSACASA-N 2 0 211.353 0.718 20 0 BCADRP CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C[C@@H]2C)C1 ZINC000358271265 386925222 /nfs/dbraw/zinc/92/52/22/386925222.db2.gz XPTISAAVMXJPBZ-DRZSPHRISA-N 2 0 239.363 0.537 20 0 BCADRP CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C[C@H]2C)C1 ZINC000358271266 386925714 /nfs/dbraw/zinc/92/57/14/386925714.db2.gz XPTISAAVMXJPBZ-KGYLQXTDSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368183320 386948093 /nfs/dbraw/zinc/94/80/93/386948093.db2.gz HEVHZMLYXDWWMA-WDEREUQCSA-N 2 0 225.336 0.147 20 0 BCADRP CC(=O)N1CCC([NH2+][C@H]2CN(C)C[C@@H]2C)CC1 ZINC000358411488 386952684 /nfs/dbraw/zinc/95/26/84/386952684.db2.gz YYEPDNDQJQSVSD-GWCFXTLKSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH+](C)CCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052880974 386961491 /nfs/dbraw/zinc/96/14/91/386961491.db2.gz QJGULEUMTBGSQB-CYBMUJFWSA-N 2 0 235.331 0.538 20 0 BCADRP C[C@@]1(CNCC2(C[NH3+])CC2)CCC[NH2+]C1 ZINC000332123072 386962780 /nfs/dbraw/zinc/96/27/80/386962780.db2.gz IAHJBKPQGQHKLD-LLVKDONJSA-N 2 0 211.353 0.705 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000332163858 386964081 /nfs/dbraw/zinc/96/40/81/386964081.db2.gz RPBOLKMHRFIDTL-GARJFASQSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000332167023 386966094 /nfs/dbraw/zinc/96/60/94/386966094.db2.gz SJJLOWGVCXUEOR-INTQDDNPSA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)[NH2+]CCc1nc(C2([NH3+])CCC2)no1 ZINC000518977326 386967151 /nfs/dbraw/zinc/96/71/51/386967151.db2.gz KSCPJFVCAIPCGY-UHFFFAOYSA-N 2 0 224.308 0.948 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368385796 386967857 /nfs/dbraw/zinc/96/78/57/386967857.db2.gz QVOOPQXUWYVZQE-GARJFASQSA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(N)=O)C1 ZINC000341906118 386986535 /nfs/dbraw/zinc/98/65/35/386986535.db2.gz WTKKQLKHCXIXRH-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)C[C@H]21 ZINC000368610061 386994031 /nfs/dbraw/zinc/99/40/31/386994031.db2.gz CYNFDDZBUJJBTO-QCNOEVLYSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)CC(C)(C)[NH3+])C[C@H]1C[NH3+] ZINC000643425975 386997188 /nfs/dbraw/zinc/99/71/88/386997188.db2.gz ZROCRYJLOGMRDX-GMTAPVOTSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H]1NCCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000334822826 386952082 /nfs/dbraw/zinc/95/20/82/386952082.db2.gz XGSITQYDKWAAFW-JQWIXIFHSA-N 2 0 211.353 0.716 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000648106316 387030573 /nfs/dbraw/zinc/03/05/73/387030573.db2.gz YTVZHOYIPHHECE-BDAKNGLRSA-N 2 0 247.289 0.085 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000334954936 387032170 /nfs/dbraw/zinc/03/21/70/387032170.db2.gz GLBSCBRAQIIAPR-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH+](C)CCCNC(=O)CC1CC[NH2+]CC1 ZINC000019438445 387035081 /nfs/dbraw/zinc/03/50/81/387035081.db2.gz SQVVYGVGQXHTGP-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]([NH3+])C1CCC1)C1CC1 ZINC000399007716 387036919 /nfs/dbraw/zinc/03/69/19/387036919.db2.gz AJERVSFEQOCCCI-GFCCVEGCSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000333534259 387042253 /nfs/dbraw/zinc/04/22/53/387042253.db2.gz IIVVYYUWVYIBFJ-QWRGUYRKSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+]C[C@@H](NC(=O)N1CC[C@H]([NH3+])C1)C1CCCC1 ZINC000334962158 387042886 /nfs/dbraw/zinc/04/28/86/387042886.db2.gz REBQJUFTSKSBHE-WDEREUQCSA-N 2 0 240.351 0.247 20 0 BCADRP [NH3+]C[C@H](NC(=O)N1CC[C@@H]([NH3+])C1)C1CCCC1 ZINC000334962156 387043035 /nfs/dbraw/zinc/04/30/35/387043035.db2.gz REBQJUFTSKSBHE-MNOVXSKESA-N 2 0 240.351 0.247 20 0 BCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074251 387043193 /nfs/dbraw/zinc/04/31/93/387043193.db2.gz QLLQRKGMXHVZMR-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074181 387044148 /nfs/dbraw/zinc/04/41/48/387044148.db2.gz LFYSRASCGPPNEX-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000648107410 387047987 /nfs/dbraw/zinc/04/79/87/387047987.db2.gz NCVYVHLORPMTMS-JTQLQIEISA-N 2 0 247.342 0.336 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000237407566 387050015 /nfs/dbraw/zinc/05/00/15/387050015.db2.gz RPGYPQZQDMYSTG-QWRGUYRKSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333707000 387051934 /nfs/dbraw/zinc/05/19/34/387051934.db2.gz RQIHRPROKAAMJF-HBNTYKKESA-N 2 0 240.351 0.130 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCC2([NH3+])CCC2)C1 ZINC000334969841 387054473 /nfs/dbraw/zinc/05/44/73/387054473.db2.gz FKTCGMPSINQCML-VHSXEESVSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]1C(=O)NCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000334970115 387054804 /nfs/dbraw/zinc/05/48/04/387054804.db2.gz PSPTXHCBSFIODU-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NCC2([NH3+])CCC2)C1 ZINC000334969840 387055121 /nfs/dbraw/zinc/05/51/21/387055121.db2.gz FKTCGMPSINQCML-UWVGGRQHSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@]1(F)CNCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000334970785 387055162 /nfs/dbraw/zinc/05/51/62/387055162.db2.gz GIKIIHTWCUTYAM-NEPJUHHUSA-N 2 0 229.343 0.619 20 0 BCADRP CC1(C(=O)N[C@H](C[NH3+])C2CCCC2)C[NH2+]C1 ZINC000333844892 387058879 /nfs/dbraw/zinc/05/88/79/387058879.db2.gz OZHPZVSSWGTOLS-SNVBAGLBSA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000228005583 387060005 /nfs/dbraw/zinc/06/00/05/387060005.db2.gz TYBYVUQANOMUIO-PWSUYJOCSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC1CC[NH2+]CC1 ZINC000514601584 387010308 /nfs/dbraw/zinc/01/03/08/387010308.db2.gz VDENFASNCJYJQA-ZJUUUORDSA-N 2 0 242.367 0.411 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000368806465 387012827 /nfs/dbraw/zinc/01/28/27/387012827.db2.gz NZPVEXIRFFKWPM-CMPLNLGQSA-N 2 0 225.336 0.054 20 0 BCADRP C[C@@H]1CC[C@@H](O)CN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000399487095 387016589 /nfs/dbraw/zinc/01/65/89/387016589.db2.gz RWWLWJKVQGYDAK-RTXFEEFZSA-N 2 0 242.363 0.287 20 0 BCADRP O=C(C[C@@H]1CC[NH2+]C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000648103409 387019144 /nfs/dbraw/zinc/01/91/44/387019144.db2.gz PZWUNGWUBXEPOQ-CMPLNLGQSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000333237290 387022393 /nfs/dbraw/zinc/02/23/93/387022393.db2.gz DFPAMVDNCRQUPE-YFKTTZPYSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[NH+](C)CC2)C1 ZINC000519176548 387028011 /nfs/dbraw/zinc/02/80/11/387028011.db2.gz BBQWTNHTMVDMRN-GFCCVEGCSA-N 2 0 239.363 0.492 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)NCC2C[NH2+]C2)cc1 ZINC000648105981 387028789 /nfs/dbraw/zinc/02/87/89/387028789.db2.gz WTJMHAPSDGHYRI-GFCCVEGCSA-N 2 0 233.315 0.330 20 0 BCADRP [NH3+]CCN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000334983402 387069996 /nfs/dbraw/zinc/06/99/96/387069996.db2.gz JTDQACYOIYYJHZ-CMPLNLGQSA-N 2 0 223.295 0.511 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000333896281 387073322 /nfs/dbraw/zinc/07/33/22/387073322.db2.gz ASKIWIWAMNDSIQ-AXFHLTTASA-N 2 0 240.351 0.212 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070256268 387074428 /nfs/dbraw/zinc/07/44/28/387074428.db2.gz LUJMTXYBKKDLPS-NSHDSACASA-N 2 0 239.363 0.444 20 0 BCADRP CC(C)(O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334995005 387085798 /nfs/dbraw/zinc/08/57/98/387085798.db2.gz XSQBWYBNBQEVLO-GFCCVEGCSA-N 2 0 212.337 0.833 20 0 BCADRP CC[C@@H](C)NC(=O)CN1CC[C@H](C[NH2+]C)C1 ZINC000070799845 387090710 /nfs/dbraw/zinc/09/07/10/387090710.db2.gz BKOAZKZVKYEDJN-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP CCN(CC)C(=O)CN1CC[C@H](C[NH2+]C)C1 ZINC000070799875 387091208 /nfs/dbraw/zinc/09/12/08/387091208.db2.gz JIBFJWPIIHEHEM-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000186356018 387098945 /nfs/dbraw/zinc/09/89/45/387098945.db2.gz GZFVWPMYGXHIJC-VXGBXAGGSA-N 2 0 237.347 0.540 20 0 BCADRP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH3+])[NH+](CC)CC ZINC000359429345 387099565 /nfs/dbraw/zinc/09/95/65/387099565.db2.gz RFLSGBYQNVTPTO-QWRGUYRKSA-N 2 0 229.368 0.912 20 0 BCADRP C[NH+]1CCC(C(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000359426954 387100490 /nfs/dbraw/zinc/10/04/90/387100490.db2.gz FLFZJIXDWIBXMR-VXGBXAGGSA-N 2 0 237.347 0.006 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000186356000 387100796 /nfs/dbraw/zinc/10/07/96/387100796.db2.gz GZFVWPMYGXHIJC-NWDGAFQWSA-N 2 0 237.347 0.540 20 0 BCADRP COC(=O)c1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c[nH]1 ZINC000359469806 387108661 /nfs/dbraw/zinc/10/86/61/387108661.db2.gz BNSZRFHVGFTJMO-PHIMTYICSA-N 2 0 249.314 0.453 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000645666134 387111634 /nfs/dbraw/zinc/11/16/34/387111634.db2.gz MDVIOSRTPFSTFW-UWVGGRQHSA-N 2 0 225.336 0.052 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C1)c1ccc2c[nH+]cn2c1 ZINC000335031294 387127337 /nfs/dbraw/zinc/12/73/37/387127337.db2.gz RRIBFBNUUGXUOG-JTQLQIEISA-N 2 0 230.271 0.426 20 0 BCADRP CN(CCC[NH+]1CCCC1)C(=O)NCCC[NH3+] ZINC000418361389 387129793 /nfs/dbraw/zinc/12/97/93/387129793.db2.gz UMBNNIYEMQWINV-UHFFFAOYSA-N 2 0 242.367 0.463 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1CCC ZINC000359209663 387067629 /nfs/dbraw/zinc/06/76/29/387067629.db2.gz AXJMEYOIVNSUSO-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1CCC ZINC000359209659 387068286 /nfs/dbraw/zinc/06/82/86/387068286.db2.gz AXJMEYOIVNSUSO-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CCC[NH2+]CCN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423305962 387141695 /nfs/dbraw/zinc/14/16/95/387141695.db2.gz CWCHAOLEWFSFDN-CHWSQXEVSA-N 2 0 241.379 0.343 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000353128278 387142467 /nfs/dbraw/zinc/14/24/67/387142467.db2.gz KPIPGYZWSJJUDI-TUAOUCFPSA-N 2 0 239.363 0.474 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000353154617 387145244 /nfs/dbraw/zinc/14/52/44/387145244.db2.gz SFKDCQUBYPUVCC-GARJFASQSA-N 2 0 227.352 0.474 20 0 BCADRP CC[NH+](CC)CCC[N@H+](C)CCC(N)=O ZINC000353166576 387147231 /nfs/dbraw/zinc/14/72/31/387147231.db2.gz CTRXLBGAEDQDPK-UHFFFAOYSA-N 2 0 215.341 0.526 20 0 BCADRP COCC[NH2+]CCN[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423319641 387161535 /nfs/dbraw/zinc/16/15/35/387161535.db2.gz CQBPAKHDWOSNJG-DGCLKSJQSA-N 2 0 241.379 0.295 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000571773074 387164653 /nfs/dbraw/zinc/16/46/53/387164653.db2.gz YYKCTHGZNRIXJB-GMTAPVOTSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@H]([NH3+])C1CC1 ZINC000423327437 387171131 /nfs/dbraw/zinc/17/11/31/387171131.db2.gz RODRJMHAULVXKR-JIMOISOXSA-N 2 0 223.364 0.796 20 0 BCADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423331650 387175475 /nfs/dbraw/zinc/17/54/75/387175475.db2.gz CQORYPTUMLARAO-SMDDNHRTSA-N 2 0 235.375 0.978 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371230832 387176305 /nfs/dbraw/zinc/17/63/05/387176305.db2.gz NKAVIPBFBBBJAX-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@@H]1CN(C(=O)C2([NH3+])CC2)C[C@H]1c1ccccc1 ZINC000336346110 387176428 /nfs/dbraw/zinc/17/64/28/387176428.db2.gz ZWYMXJKIFNUJFV-NWDGAFQWSA-N 2 0 245.326 0.431 20 0 BCADRP CC[C@]1(C(=O)N[C@H](C)CC[NH+](C)C)CC[NH2+]C1 ZINC000062901836 387179545 /nfs/dbraw/zinc/17/95/45/387179545.db2.gz BTLFTYIIAQBXIR-YPMHNXCESA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@]1(C(=O)N[C@@H](C)CC[NH+](C)C)CC[NH2+]C1 ZINC000062901834 387179784 /nfs/dbraw/zinc/17/97/84/387179784.db2.gz BTLFTYIIAQBXIR-WCQYABFASA-N 2 0 241.379 0.833 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@]12C[C@H]1CC[NH2+]2 ZINC000423334051 387181276 /nfs/dbraw/zinc/18/12/76/387181276.db2.gz FLRPIYOICYVCBR-CZXHOFHRSA-N 2 0 249.358 0.481 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000371261768 387184791 /nfs/dbraw/zinc/18/47/91/387184791.db2.gz CRMCSGUUJVWIQA-VWYCJHECSA-N 2 0 225.336 0.419 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)C1(C)C[NH2+]C1 ZINC000423337259 387186002 /nfs/dbraw/zinc/18/60/02/387186002.db2.gz UBNQBNVVMDTZEC-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1C[C@@H](NC[C@@H]([NH3+])C2CC2)C[N@@H+]1C1CC1 ZINC000423337685 387186583 /nfs/dbraw/zinc/18/65/83/387186583.db2.gz YRGZBMZFXPNLJH-IRUJWGPZSA-N 2 0 223.364 0.939 20 0 BCADRP C[N@@H+]1CC[C@H](NC2C[NH2+]C2)[C@@H]2CCC[C@H]21 ZINC000571908120 387189401 /nfs/dbraw/zinc/18/94/01/387189401.db2.gz FHKKTKZKPYHQGC-SDDRHHMPSA-N 2 0 209.337 0.421 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH3+] ZINC000418176147 387189582 /nfs/dbraw/zinc/18/95/82/387189582.db2.gz BWFMHDOEOWKCSJ-NSHDSACASA-N 2 0 242.367 0.509 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062967603 387190426 /nfs/dbraw/zinc/19/04/26/387190426.db2.gz ZGAVTPNDNWNHBA-MNOVXSKESA-N 2 0 227.352 0.380 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)C[NH3+] ZINC000418188080 387206063 /nfs/dbraw/zinc/20/60/63/387206063.db2.gz SJNGFHRZTJNZIT-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H](C[C@@H]1COCCN1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356498 387206803 /nfs/dbraw/zinc/20/68/03/387206803.db2.gz JZYUGLTXBUFMIG-JHJVBQTASA-N 2 0 241.379 0.485 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000571939505 387206854 /nfs/dbraw/zinc/20/68/54/387206854.db2.gz PBUOOVAAYZGXQW-JGVFFNPUSA-N 2 0 201.314 0.084 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000353462600 387207882 /nfs/dbraw/zinc/20/78/82/387207882.db2.gz SXOJGRFVPKBMAJ-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000423357129 387208761 /nfs/dbraw/zinc/20/87/61/387208761.db2.gz HUJDKORRHKQFJS-LOWDOPEQSA-N 2 0 241.379 0.341 20 0 BCADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)C[NH3+] ZINC000418200741 387211315 /nfs/dbraw/zinc/21/13/15/387211315.db2.gz QKMXAMRCGRLFLO-WDEREUQCSA-N 2 0 244.383 0.753 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)C[NH3+] ZINC000418199853 387212386 /nfs/dbraw/zinc/21/23/86/387212386.db2.gz OQZUTPZWOIBBLB-ZJUUUORDSA-N 2 0 230.356 0.362 20 0 BCADRP C[NH+](C)CCN(C(=O)C1CC[NH2+]CC1)C1CC1 ZINC000571998664 387217098 /nfs/dbraw/zinc/21/70/98/387217098.db2.gz RTIRKSYFFQZVJN-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)[C@H](C[NH3+])OC ZINC000353506842 387217947 /nfs/dbraw/zinc/21/79/47/387217947.db2.gz DWVMBVZVAUWNQD-NSHDSACASA-N 2 0 245.367 0.198 20 0 BCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000418203753 387218282 /nfs/dbraw/zinc/21/82/82/387218282.db2.gz WGNZSMGBLJZFLD-QWRGUYRKSA-N 2 0 242.367 0.376 20 0 BCADRP C[C@H](N[C@H]1C[NH2+]CC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423370046 387223401 /nfs/dbraw/zinc/22/34/01/387223401.db2.gz UBBVCYISOKFXLQ-KXNHARMFSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)NCC1([NH3+])CCC1 ZINC000418213745 387223655 /nfs/dbraw/zinc/22/36/55/387223655.db2.gz WCVHIYZNDQFCKN-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H](N[C@@H]1C[NH2+]CC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423370041 387224803 /nfs/dbraw/zinc/22/48/03/387224803.db2.gz UBBVCYISOKFXLQ-DDHJBXDOSA-N 2 0 211.353 0.715 20 0 BCADRP CCn1cc(C[NH2+]CCOCC[NH+](C)C)cn1 ZINC000230005073 387225737 /nfs/dbraw/zinc/22/57/37/387225737.db2.gz HNZXGYASLJGYKK-UHFFFAOYSA-N 2 0 240.351 0.571 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423373581 387228566 /nfs/dbraw/zinc/22/85/66/387228566.db2.gz HRQSHZNVTWRQPF-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423402167 387237250 /nfs/dbraw/zinc/23/72/50/387237250.db2.gz RIXACUOERXSUTR-PWSUYJOCSA-N 2 0 225.336 0.195 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423406271 387242535 /nfs/dbraw/zinc/24/25/35/387242535.db2.gz UOEQPXOWUKXKGO-UKKRHICBSA-N 2 0 200.326 0.997 20 0 BCADRP CC[N@H+](C)CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000572147850 387243916 /nfs/dbraw/zinc/24/39/16/387243916.db2.gz RNOAMHLDVAQGKX-NWDGAFQWSA-N 2 0 213.369 0.916 20 0 BCADRP CC[N@H+](C)CCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000572147849 387244157 /nfs/dbraw/zinc/24/41/57/387244157.db2.gz RNOAMHLDVAQGKX-NEPJUHHUSA-N 2 0 213.369 0.916 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000423406842 387244559 /nfs/dbraw/zinc/24/45/59/387244559.db2.gz VEBNLCBNETVXPI-MROQNXINSA-N 2 0 225.380 0.914 20 0 BCADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423410901 387245787 /nfs/dbraw/zinc/24/57/87/387245787.db2.gz ARAAPPVANLOZFR-NMKXLXIOSA-N 2 0 249.358 0.434 20 0 BCADRP COC[C@@]1(CN[C@H](C)[C@@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000423417491 387248306 /nfs/dbraw/zinc/24/83/06/387248306.db2.gz SLWBUMZFOKQTSH-AGIUHOORSA-N 2 0 241.379 0.485 20 0 BCADRP C[N@@H+]1CC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]2CCC[C@H]21 ZINC000423420050 387248881 /nfs/dbraw/zinc/24/88/81/387248881.db2.gz AQZUNBCJMHXBHN-BSCCGWMCSA-N 2 0 235.375 0.667 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423423768 387249918 /nfs/dbraw/zinc/24/99/18/387249918.db2.gz FDPRGHHYEZFOEX-ZMHPAJMFSA-N 2 0 221.348 0.277 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CCC([NH2+]C)CC1 ZINC000572155582 387250125 /nfs/dbraw/zinc/25/01/25/387250125.db2.gz MJCIKRQJSQDCFZ-LBPRGKRZSA-N 2 0 227.352 0.714 20 0 BCADRP O=C([C@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000162039928 387250464 /nfs/dbraw/zinc/25/04/64/387250464.db2.gz AYEYRUHJTMUZHD-RYUDHWBXSA-N 2 0 237.347 0.293 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000572155574 387250574 /nfs/dbraw/zinc/25/05/74/387250574.db2.gz MBKSFLCRQTUXHM-UWVGGRQHSA-N 2 0 239.363 0.713 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@@H](C)C[NH+](C)C ZINC000418179838 387194208 /nfs/dbraw/zinc/19/42/08/387194208.db2.gz AWNLCQNSCMVVAU-WDEREUQCSA-N 2 0 244.383 0.753 20 0 BCADRP COCC[N@@H+]1CC[C@H](N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000423374255 387198394 /nfs/dbraw/zinc/19/83/94/387198394.db2.gz JQXUMFAMCDVNGZ-AVGNSLFASA-N 2 0 241.379 0.437 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)CC1(C[NH3+])CC1)C1CC1 ZINC000423349568 387201078 /nfs/dbraw/zinc/20/10/78/387201078.db2.gz WYBDFIAYMHOJAC-LLVKDONJSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000648121499 387309976 /nfs/dbraw/zinc/30/99/76/387309976.db2.gz QRJJCFZQUKROLS-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000643500248 387312865 /nfs/dbraw/zinc/31/28/65/387312865.db2.gz YMRAQBWWJAHOPE-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000423470839 387316735 /nfs/dbraw/zinc/31/67/35/387316735.db2.gz GVIRFKZAWRTKDD-OPRDCNLKSA-N 2 0 233.306 0.523 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188185034 387256386 /nfs/dbraw/zinc/25/63/86/387256386.db2.gz CJPFZKZRUSRACL-DVVUODLYSA-N 2 0 243.326 0.272 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)co1 ZINC000336429987 387257150 /nfs/dbraw/zinc/25/71/50/387257150.db2.gz JFWYDSKTXFYNPB-PHIMTYICSA-N 2 0 249.314 0.705 20 0 BCADRP C[C@@]1(C(=O)N[C@@H]2CCC[NH2+]CC2)CCC[NH2+]C1 ZINC000648119883 387258819 /nfs/dbraw/zinc/25/88/19/387258819.db2.gz BFZYXSOKNHLBBG-DGCLKSJQSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000423470837 387317131 /nfs/dbraw/zinc/31/71/31/387317131.db2.gz GVIRFKZAWRTKDD-KXUCPTDWSA-N 2 0 233.306 0.523 20 0 BCADRP C[C@@H](Cn1cccn1)[NH2+]CCN1CCCC1 ZINC000230318833 387261827 /nfs/dbraw/zinc/26/18/27/387261827.db2.gz KROSFABDGGBRPJ-LBPRGKRZSA-N 2 0 222.336 0.957 20 0 BCADRP CC[NH2+][C@H](C)CN[C@H](C)C(C)(C)n1cncn1 ZINC000423379578 387262410 /nfs/dbraw/zinc/26/24/10/387262410.db2.gz MDJRYZYBAHGIPT-GHMZBOCLSA-N 2 0 239.367 0.989 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC000645684596 387267528 /nfs/dbraw/zinc/26/75/28/387267528.db2.gz APNKWUYXRZBRED-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+][C@H](C)CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000423387835 387271024 /nfs/dbraw/zinc/27/10/24/387271024.db2.gz KEWAWQUWCVOZFK-DDHJBXDOSA-N 2 0 213.369 0.913 20 0 BCADRP CC[N@H+](CCNC(=O)[C@]12C[C@H]1CC[NH2+]2)C(C)C ZINC000423387691 387271526 /nfs/dbraw/zinc/27/15/26/387271526.db2.gz HYTYWBDEXDPPAV-YPMHNXCESA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH2+]CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000520808693 387273484 /nfs/dbraw/zinc/27/34/84/387273484.db2.gz AJSZCROBZWHBEA-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423391280 387276383 /nfs/dbraw/zinc/27/63/83/387276383.db2.gz KQQFMJGFNQOTDP-WISYIIOYSA-N 2 0 211.353 0.572 20 0 BCADRP CC[NH2+]CCCN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000643498950 387276873 /nfs/dbraw/zinc/27/68/73/387276873.db2.gz ZSCLVFMNUXPRJV-VXGBXAGGSA-N 2 0 213.369 0.916 20 0 BCADRP C[C@@H](NC[C@@H]1[NH2+]CCCC1(C)C)C1C[NH2+]C1 ZINC000423390459 387277178 /nfs/dbraw/zinc/27/71/78/387277178.db2.gz OKKBTOUVZXWHBT-PWSUYJOCSA-N 2 0 225.380 0.962 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000423392252 387278497 /nfs/dbraw/zinc/27/84/97/387278497.db2.gz LOJSYPFZOGCMGG-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCCCC[NH+](C)C ZINC000353812822 387279599 /nfs/dbraw/zinc/27/95/99/387279599.db2.gz IJECBSZLDWBAEE-UHFFFAOYSA-N 2 0 229.368 0.785 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000423470840 387317890 /nfs/dbraw/zinc/31/78/90/387317890.db2.gz GVIRFKZAWRTKDD-UTLUCORTSA-N 2 0 233.306 0.523 20 0 BCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000514732467 387282859 /nfs/dbraw/zinc/28/28/59/387282859.db2.gz JORTZDZATZNWJP-WDMOLILDSA-N 2 0 249.358 0.339 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000423433229 387283923 /nfs/dbraw/zinc/28/39/23/387283923.db2.gz NCPKVIXYANOAAO-NSHDSACASA-N 2 0 239.363 0.396 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423432597 387284280 /nfs/dbraw/zinc/28/42/80/387284280.db2.gz OPQVHAYGUCXCCW-KLTVKPSUSA-N 2 0 249.358 0.337 20 0 BCADRP C[C@@H]1CCNC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423435040 387286794 /nfs/dbraw/zinc/28/67/94/387286794.db2.gz OLJANQUZSCCDLX-YXCITZCRSA-N 2 0 237.391 0.962 20 0 BCADRP CC[C@]1(C(=O)NCC[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000360465666 387290584 /nfs/dbraw/zinc/29/05/84/387290584.db2.gz GWAASYWLXNMAPW-YPMHNXCESA-N 2 0 239.363 0.492 20 0 BCADRP CC[C@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000360466400 387291276 /nfs/dbraw/zinc/29/12/76/387291276.db2.gz LQAYZTQEIROCSM-JQWIXIFHSA-N 2 0 225.336 0.244 20 0 BCADRP CC[C@H]([NH3+])CN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423441199 387291352 /nfs/dbraw/zinc/29/13/52/387291352.db2.gz AZVSATVIWNAVTD-GARJFASQSA-N 2 0 211.353 0.939 20 0 BCADRP Cc1noc(CCC[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)n1 ZINC000514938586 387318358 /nfs/dbraw/zinc/31/83/58/387318358.db2.gz MRYRYAMYBPAGOU-KOLCDFICSA-N 2 0 238.335 0.980 20 0 BCADRP COC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCC1 ZINC000423442727 387293728 /nfs/dbraw/zinc/29/37/28/387293728.db2.gz VHSBZKPDEIFMQY-QNWHQSFQSA-N 2 0 224.348 0.999 20 0 BCADRP CO[C@@H]1CCC[C@@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000643499615 387299857 /nfs/dbraw/zinc/29/98/57/387299857.db2.gz PFVYHDFSDGHYPY-CHWSQXEVSA-N 2 0 241.379 0.439 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000514865437 387300789 /nfs/dbraw/zinc/30/07/89/387300789.db2.gz UWKANUWXIDWLQF-WOPDTQHZSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000258848037 387303029 /nfs/dbraw/zinc/30/30/29/387303029.db2.gz QWGDSSYVSLZVMQ-MNOVXSKESA-N 2 0 227.352 0.381 20 0 BCADRP C[NH+](C)CCCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000372479728 387306314 /nfs/dbraw/zinc/30/63/14/387306314.db2.gz ADPMXVAMQOUCDJ-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH2+]CCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000572286949 387307392 /nfs/dbraw/zinc/30/73/92/387307392.db2.gz OQLTVHXWWFRQKX-UHFFFAOYSA-N 3 0 229.368 0.426 20 0 BCADRP CCC[C@H](C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)[NH+](C)C ZINC000423533450 387361632 /nfs/dbraw/zinc/36/16/32/387361632.db2.gz TWVCKFWBQAYVFM-IJLUTSLNSA-N 2 0 241.379 0.912 20 0 BCADRP O=C([C@H]1CCC[NH2+]1)N(C1CC1)C1CC[NH2+]CC1 ZINC000207820538 387362102 /nfs/dbraw/zinc/36/21/02/387362102.db2.gz ZBUQHFCMUQYPDA-GFCCVEGCSA-N 2 0 237.347 0.481 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538472 387364013 /nfs/dbraw/zinc/36/40/13/387364013.db2.gz MZIJSXGMIHVGBM-YPMHNXCESA-N 2 0 223.364 0.836 20 0 BCADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000515338845 387365763 /nfs/dbraw/zinc/36/57/63/387365763.db2.gz HTHBRUZCLKRTMA-BXKDBHETSA-N 2 0 233.315 0.684 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NC[C@H]1CCCC[NH2+]1 ZINC000643502429 387366054 /nfs/dbraw/zinc/36/60/54/387366054.db2.gz GBXAAVOYKAAIAV-QJPTWQEYSA-N 2 0 211.353 0.846 20 0 BCADRP CCC[C@H](C(=O)N[C@H](C)C[NH3+])[NH+](C)C ZINC000423539653 387366619 /nfs/dbraw/zinc/36/66/19/387366619.db2.gz PACNRPGATIYWPF-RKDXNWHRSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000515338846 387366937 /nfs/dbraw/zinc/36/69/37/387366937.db2.gz HTHBRUZCLKRTMA-JOYOIKCWSA-N 2 0 233.315 0.684 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000373425832 387367096 /nfs/dbraw/zinc/36/70/96/387367096.db2.gz GRCBCWCEWMGEGW-WZRBSPASSA-N 2 0 237.347 0.196 20 0 BCADRP COCC[N@@H+]1CC[C@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000423544420 387367492 /nfs/dbraw/zinc/36/74/92/387367492.db2.gz CZZUSDIUWYTGML-OLZOCXBDSA-N 2 0 241.379 0.439 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000423543885 387367689 /nfs/dbraw/zinc/36/76/89/387367689.db2.gz IBOVRKTZCCGHPU-NXEZZACHSA-N 2 0 225.336 0.230 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000367170727 387367685 /nfs/dbraw/zinc/36/76/85/387367685.db2.gz CLNHTLMITLTQCW-YEJSDXFRSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000515384445 387372914 /nfs/dbraw/zinc/37/29/14/387372914.db2.gz RDEUHLZIBKJSDE-IONNQARKSA-N 2 0 234.303 0.183 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000515384376 387373594 /nfs/dbraw/zinc/37/35/94/387373594.db2.gz PMCHTTXSHHBSMD-OUAUKWLOSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423563243 387377373 /nfs/dbraw/zinc/37/73/73/387377373.db2.gz WZSXJZRNKWHEHF-KSTCHIGDSA-N 2 0 237.391 0.962 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C[NH+]1CCC(C)CC1 ZINC000423573635 387379099 /nfs/dbraw/zinc/37/90/99/387379099.db2.gz ZHGOKLFZYHRDNF-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H](NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCCC[NH2+]1 ZINC000423571221 387379605 /nfs/dbraw/zinc/37/96/05/387379605.db2.gz NGSPENQVFLFISB-WOPDTQHZSA-N 2 0 227.352 0.095 20 0 BCADRP COCC[N@@H+]1CC[C@H](NCCC[NH2+]C2CC2)C1 ZINC000423570875 387379864 /nfs/dbraw/zinc/37/98/64/387379864.db2.gz XGTATZQUBHACBO-ZDUSSCGKSA-N 2 0 241.379 0.439 20 0 BCADRP CC1(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C[NH2+]C1 ZINC000423577592 387380176 /nfs/dbraw/zinc/38/01/76/387380176.db2.gz SJALZFQSVDMRNM-HBNTYKKESA-N 2 0 237.347 0.182 20 0 BCADRP O=C(C1C[NH2+]C1)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000373564299 387382214 /nfs/dbraw/zinc/38/22/14/387382214.db2.gz XXVDLKHZLIIQIA-JQWIXIFHSA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000195263837 387319847 /nfs/dbraw/zinc/31/98/47/387319847.db2.gz XQJKPUPCTFITID-BETUJISGSA-N 2 0 245.326 0.437 20 0 BCADRP [NH3+][C@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC000423474172 387321713 /nfs/dbraw/zinc/32/17/13/387321713.db2.gz HXNXNIVJDOTXIE-LLVKDONJSA-N 2 0 237.347 0.468 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000648121692 387325204 /nfs/dbraw/zinc/32/52/04/387325204.db2.gz KWQAYQDKZODRHZ-PHIMTYICSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000390513742 387330345 /nfs/dbraw/zinc/33/03/45/387330345.db2.gz CKVPWOZWQXLYAR-XFWSIPNHSA-N 2 0 213.325 0.308 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000390509212 387332560 /nfs/dbraw/zinc/33/25/60/387332560.db2.gz YSSRKLMYRRIFJL-RKDXNWHRSA-N 2 0 233.381 0.166 20 0 BCADRP C[NH+](C)C[C@H]1CCN([C@H]2CCCNC2=O)C1 ZINC000336508960 387333552 /nfs/dbraw/zinc/33/35/52/387333552.db2.gz HIJHGCBTTAUQAY-MNOVXSKESA-N 2 0 225.336 0.149 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC(CC[NH3+])CC1 ZINC000520830533 387383037 /nfs/dbraw/zinc/38/30/37/387383037.db2.gz MASKUZDWQGOSSQ-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP C[NH+](C)C[C@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC000336508959 387334127 /nfs/dbraw/zinc/33/41/27/387334127.db2.gz HIJHGCBTTAUQAY-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)[C@H]1C[C@H]1C ZINC000423490848 387336160 /nfs/dbraw/zinc/33/61/60/387336160.db2.gz IQTVEXQFSUPROK-KKOKHZNYSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000354156109 387338134 /nfs/dbraw/zinc/33/81/34/387338134.db2.gz VPSKSYROLJBGEQ-UWVGGRQHSA-N 2 0 213.325 0.147 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)C[NH+]1CCC(C)CC1 ZINC000423494718 387338635 /nfs/dbraw/zinc/33/86/35/387338635.db2.gz DGOYRLODLPYKDT-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP CCC[C@H](C(=O)NCC[NH2+]CCOC)[NH+](C)C ZINC000423500319 387341093 /nfs/dbraw/zinc/34/10/93/387341093.db2.gz DAOQLUWGVPHWDH-LLVKDONJSA-N 2 0 245.367 0.069 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C[NH+](C)C ZINC000423512649 387348812 /nfs/dbraw/zinc/34/88/12/387348812.db2.gz PADNQFGXOUKQEJ-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP CC(C)(C)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000572378713 387353173 /nfs/dbraw/zinc/35/31/73/387353173.db2.gz PERKYIYQUCQUNR-QWRGUYRKSA-N 2 0 239.363 0.666 20 0 BCADRP O=C(NCC[N@H+]1CC=CCC1)C1CC[NH2+]CC1 ZINC000083887484 387428349 /nfs/dbraw/zinc/42/83/49/387428349.db2.gz LYAANKDIQRPNHR-UHFFFAOYSA-N 2 0 237.347 0.364 20 0 BCADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH3+] ZINC000423800324 387429034 /nfs/dbraw/zinc/42/90/34/387429034.db2.gz LJXAHNOJGPSBTJ-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423839234 387433763 /nfs/dbraw/zinc/43/37/63/387433763.db2.gz CWDXGVLMPXCZSD-MFKMUULPSA-N 2 0 237.347 0.291 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)CCC[NH3+] ZINC000423855442 387436445 /nfs/dbraw/zinc/43/64/45/387436445.db2.gz XDSNSWXHKVMQOD-UHFFFAOYSA-N 2 0 213.325 0.278 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000423893726 387446573 /nfs/dbraw/zinc/44/65/73/387446573.db2.gz ATDBXJKZAYBNOQ-SDDRHHMPSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000037821712 387449349 /nfs/dbraw/zinc/44/93/49/387449349.db2.gz JQYXUCKUTMIAGQ-LLVKDONJSA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000423945349 387455521 /nfs/dbraw/zinc/45/55/21/387455521.db2.gz AUTPTHBJPDMCCY-JTQLQIEISA-N 2 0 229.368 0.816 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000423940769 387455713 /nfs/dbraw/zinc/45/57/13/387455713.db2.gz BCXJWRPULYRHFB-LLVKDONJSA-N 2 0 227.352 0.524 20 0 BCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)[NH+](CC)CC ZINC000423939300 387456009 /nfs/dbraw/zinc/45/60/09/387456009.db2.gz AGWXQTLENBGDOZ-GRYCIOLGSA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[NH2+][C@@H](C)C1)[C@@H](C)[NH3+] ZINC000423604452 387385365 /nfs/dbraw/zinc/38/53/65/387385365.db2.gz FYKASYDBYVBKKS-AXFHLTTASA-N 2 0 227.352 0.426 20 0 BCADRP CCC[C@@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)[NH+](C)C ZINC000423611884 387387058 /nfs/dbraw/zinc/38/70/58/387387058.db2.gz ORZFXTZULBWUQB-AAEUAGOBSA-N 2 0 241.379 0.914 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423656638 387392059 /nfs/dbraw/zinc/39/20/59/387392059.db2.gz XICAELQFNMYBCA-IJLUTSLNSA-N 2 0 239.363 0.809 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH3+])[C@@H]1C)[NH+](C)C ZINC000423656167 387392674 /nfs/dbraw/zinc/39/26/74/387392674.db2.gz WLLPFVALYMUTSL-AXFHLTTASA-N 2 0 227.352 0.521 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)[C@@H](C)[NH3+] ZINC000423976087 387460199 /nfs/dbraw/zinc/46/01/99/387460199.db2.gz FSMBXLJGOFGLAK-VPOLOUISSA-N 2 0 227.352 0.554 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC[N@@H+]1C ZINC000648112098 387394543 /nfs/dbraw/zinc/39/45/43/387394543.db2.gz UOJVDJSGVXMKLP-DDHJBXDOSA-N 2 0 239.363 0.441 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000423721376 387403372 /nfs/dbraw/zinc/40/33/72/387403372.db2.gz BRKSNUSDJQNAEQ-IJLUTSLNSA-N 2 0 239.363 0.809 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000423740685 387404324 /nfs/dbraw/zinc/40/43/24/387404324.db2.gz JESZPWSFXPSACW-TUAOUCFPSA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000423743250 387406350 /nfs/dbraw/zinc/40/63/50/387406350.db2.gz JVHAGEDQJOMIBW-MCIGGMRASA-N 2 0 241.379 0.960 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000423744143 387407596 /nfs/dbraw/zinc/40/75/96/387407596.db2.gz NGGRKMYVJIYYSC-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CC[NH+]2CCC1CC2 ZINC000423760980 387414637 /nfs/dbraw/zinc/41/46/37/387414637.db2.gz RAPPMHFHKZPTSS-UHFFFAOYSA-N 2 0 237.347 0.293 20 0 BCADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)[NH3+] ZINC000423769992 387420128 /nfs/dbraw/zinc/42/01/28/387420128.db2.gz GSPXXSMGUOXOFC-GARJFASQSA-N 2 0 225.336 0.419 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000336598198 387422288 /nfs/dbraw/zinc/42/22/88/387422288.db2.gz SCOAHHPYKMVWLM-QWRGUYRKSA-N 2 0 239.363 0.701 20 0 BCADRP [NH3+]CC1(CC(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000516286482 387494581 /nfs/dbraw/zinc/49/45/81/387494581.db2.gz SYRMWJZUWAWPHN-SNVBAGLBSA-N 2 0 225.336 0.231 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCN2CCC(O)CC2)C1 ZINC000321776526 387506148 /nfs/dbraw/zinc/50/61/48/387506148.db2.gz HBKSSVFNZUKXNL-RYUDHWBXSA-N 2 0 241.379 0.303 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000361620679 387511058 /nfs/dbraw/zinc/51/10/58/387511058.db2.gz JOHJMKRJCTXHHJ-NSHDSACASA-N 2 0 241.379 0.997 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000375257531 387519131 /nfs/dbraw/zinc/51/91/31/387519131.db2.gz YUQQSHLVEVOXSE-ZSBIGDGJSA-N 2 0 239.363 0.807 20 0 BCADRP COC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408717 387520659 /nfs/dbraw/zinc/52/06/59/387520659.db2.gz KJZWSUIFIAPKKQ-AGIUHOORSA-N 2 0 242.363 0.600 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000361724729 387527645 /nfs/dbraw/zinc/52/76/45/387527645.db2.gz APXMZVAPVHSHEK-QJPTWQEYSA-N 2 0 237.347 0.420 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422020208 387538255 /nfs/dbraw/zinc/53/82/55/387538255.db2.gz LIJHXAJGACQTHU-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000375428214 387539089 /nfs/dbraw/zinc/53/90/89/387539089.db2.gz MXIGHXLPYRPXRG-MRBYEJRBSA-N 2 0 239.363 0.700 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CCC[NH2+]C ZINC000424017038 387466074 /nfs/dbraw/zinc/46/60/74/387466074.db2.gz FQGBLRFKPOEIAK-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000424007344 387466773 /nfs/dbraw/zinc/46/67/73/387466773.db2.gz VGRGZBPXHCQTEH-NWDGAFQWSA-N 2 0 241.379 0.770 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC(C)(C)CC[NH3+] ZINC000424048046 387470573 /nfs/dbraw/zinc/47/05/73/387470573.db2.gz PVQQEHONRJBHQH-UHFFFAOYSA-N 2 0 215.341 0.570 20 0 BCADRP CC(C)([NH3+])CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000374608403 387472261 /nfs/dbraw/zinc/47/22/61/387472261.db2.gz COFHSXYQJXCHAE-DCAQKATOSA-N 2 0 239.363 0.700 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CC[NH2+]C3)C[C@H]21 ZINC000374628330 387473345 /nfs/dbraw/zinc/47/33/45/387473345.db2.gz FRIDYVPQLJRCOP-IRCOFANPSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@@H](O)C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000361505571 387474784 /nfs/dbraw/zinc/47/47/84/387474784.db2.gz PZAQLGYUYKBQDI-GHMZBOCLSA-N 2 0 200.326 0.783 20 0 BCADRP Cc1cnn(CC[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000304437642 387479703 /nfs/dbraw/zinc/47/97/03/387479703.db2.gz URNWZZSMETZMPP-RYUDHWBXSA-N 2 0 222.336 0.861 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1NCC[NH2+]C1CC1 ZINC000643508040 387481754 /nfs/dbraw/zinc/48/17/54/387481754.db2.gz CYADGTYXHGNYFQ-PWSUYJOCSA-N 2 0 211.353 0.716 20 0 BCADRP CC[NH+]1CCC(N(C)CC(=O)NC)CC1 ZINC000362185392 387582484 /nfs/dbraw/zinc/58/24/84/387582484.db2.gz KWXJLNYEJLFXGD-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000375835769 387586259 /nfs/dbraw/zinc/58/62/59/387586259.db2.gz YUMALGQHHJNHJH-YTWAJWBKSA-N 2 0 225.336 0.167 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000375912754 387592744 /nfs/dbraw/zinc/59/27/44/387592744.db2.gz QYUFKTBRTSSEFQ-UTUOFQBUSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+][C@@H](C(=O)NC[C@@H]([NH3+])c1ccccc1)C1CCC1 ZINC000422534227 387594938 /nfs/dbraw/zinc/59/49/38/387594938.db2.gz ALPIZHDUCZSSLK-CHWSQXEVSA-N 2 0 247.342 0.930 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)CCC[NH3+])C[C@@H]1C[NH3+] ZINC000422537481 387594960 /nfs/dbraw/zinc/59/49/60/387594960.db2.gz GYMOXNMOYBPUBS-MXWKQRLJSA-N 2 0 227.352 0.557 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000375932374 387594965 /nfs/dbraw/zinc/59/49/65/387594965.db2.gz FWEIICJVLYKWSU-GMXVVIOVSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H](N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000400736009 387595073 /nfs/dbraw/zinc/59/50/73/387595073.db2.gz RSALLRSFYKULGN-LOWVWBTDSA-N 2 0 223.364 0.953 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NC(C)(C)CC[NH3+] ZINC000422537542 387595097 /nfs/dbraw/zinc/59/50/97/387595097.db2.gz HHBUQLGPCSONRB-SECBINFHSA-N 2 0 215.341 0.461 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422536579 387595754 /nfs/dbraw/zinc/59/57/54/387595754.db2.gz FPNZXBRNDVETDY-YTWAJWBKSA-N 2 0 227.352 0.556 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)C[C@@]1(C)C[NH3+] ZINC000422542974 387597222 /nfs/dbraw/zinc/59/72/22/387597222.db2.gz RGDMFEOBBGLQEU-SUZMYJTESA-N 2 0 239.363 0.557 20 0 BCADRP Cc1cn2c(n1)CC[C@H](NC(=O)[C@H](C)C[NH3+])C2 ZINC000375977555 387598269 /nfs/dbraw/zinc/59/82/69/387598269.db2.gz YKHDCBMZAFVGRI-SCZZXKLOSA-N 2 0 236.319 0.217 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000527532216 387598756 /nfs/dbraw/zinc/59/87/56/387598756.db2.gz KITVXQIRIXHUJY-VWYCJHECSA-N 2 0 209.337 0.740 20 0 BCADRP COC[C@@H]([NH3+])C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375984976 387598935 /nfs/dbraw/zinc/59/89/35/387598935.db2.gz CKNWKKNYQPSLRG-LLVKDONJSA-N 2 0 249.314 0.245 20 0 BCADRP C([NH2+][C@H]1CCC[NH2+]CC1)C12CC(C1)CO2 ZINC000527531597 387600769 /nfs/dbraw/zinc/60/07/69/387600769.db2.gz HYLUSCYKLOSVAQ-CXQJBGSLSA-N 2 0 210.321 0.897 20 0 BCADRP C1CC2(C1)[NH2+]CC[C@@H]2N[C@H]1CCC[NH2+]C1 ZINC000527531459 387602031 /nfs/dbraw/zinc/60/20/31/387602031.db2.gz FGAOYRONLTWUMT-QWRGUYRKSA-N 2 0 209.337 0.613 20 0 BCADRP C1CC2(C1)[NH2+]CC[C@@H]2N[C@@H]1CCC[NH2+]C1 ZINC000527531457 387602115 /nfs/dbraw/zinc/60/21/15/387602115.db2.gz FGAOYRONLTWUMT-MNOVXSKESA-N 2 0 209.337 0.613 20 0 BCADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000527531560 387603291 /nfs/dbraw/zinc/60/32/91/387603291.db2.gz HNBQKWQYDYTFAD-WOPDTQHZSA-N 2 0 221.348 0.470 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422603797 387605797 /nfs/dbraw/zinc/60/57/97/387605797.db2.gz ADFSFYYMYVYADX-MNOVXSKESA-N 2 0 242.367 0.317 20 0 BCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCC(C)(C)[NH3+] ZINC000422606654 387606183 /nfs/dbraw/zinc/60/61/83/387606183.db2.gz JHKGTTTWUXQXHK-SNVBAGLBSA-N 2 0 242.367 0.459 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(CC(=O)N2CCC2)C1 ZINC000362398559 387607454 /nfs/dbraw/zinc/60/74/54/387607454.db2.gz UIMXIRBXWBZSJI-GFCCVEGCSA-N 2 0 239.363 0.492 20 0 BCADRP CC[N@@H+]1CC[C@H](CN[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422687715 387612141 /nfs/dbraw/zinc/61/21/41/387612141.db2.gz BYKASLQYIHTPCT-XQQFMLRXSA-N 2 0 225.380 0.916 20 0 BCADRP CC[C@@H](C(=O)NCC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422687643 387613006 /nfs/dbraw/zinc/61/30/06/387613006.db2.gz BQSAQUZHXFQHLY-ZDUSSCGKSA-N 2 0 249.358 0.972 20 0 BCADRP CC[C@@H](C(=O)NCC[NH+](CC)CC)[NH+](C)C ZINC000124409331 387615393 /nfs/dbraw/zinc/61/53/93/387615393.db2.gz LPWMBXBRUQHHEF-NSHDSACASA-N 2 0 229.368 0.785 20 0 BCADRP COC[C@@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422702993 387617812 /nfs/dbraw/zinc/61/78/12/387617812.db2.gz MAFIMCMNCWMFRO-HBNTYKKESA-N 2 0 200.326 0.999 20 0 BCADRP CC[N@H+](C)CCN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422709766 387624186 /nfs/dbraw/zinc/62/41/86/387624186.db2.gz DYVZCSNMEMYVIW-STQMWFEESA-N 2 0 241.379 0.295 20 0 BCADRP CCC[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)[NH+](C)C ZINC000422712449 387625768 /nfs/dbraw/zinc/62/57/68/387625768.db2.gz OFNYVZCMVGCUSA-ZJUUUORDSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCN1CCSCC1 ZINC000422712494 387626262 /nfs/dbraw/zinc/62/62/62/387626262.db2.gz OILJVMSZYZYFTK-GHMZBOCLSA-N 2 0 231.409 0.751 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000036984206 387558022 /nfs/dbraw/zinc/55/80/22/387558022.db2.gz USCCXYUJHURWNW-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000367392124 387573541 /nfs/dbraw/zinc/57/35/41/387573541.db2.gz MGDZMRBYXQKHNM-WDSKDSINSA-N 2 0 240.332 0.245 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CCNC[C@H]1C(F)F ZINC000367392263 387576274 /nfs/dbraw/zinc/57/62/74/387576274.db2.gz NWBYYXSFUMHDAA-BDAKNGLRSA-N 2 0 247.289 0.052 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H](C)C[NH3+])cc1 ZINC000430605515 387632332 /nfs/dbraw/zinc/63/23/32/387632332.db2.gz RKQXQCSAQPNOEX-JQWIXIFHSA-N 2 0 235.331 0.706 20 0 BCADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422719478 387633459 /nfs/dbraw/zinc/63/34/59/387633459.db2.gz YGAAFWSSAGWNIW-XWLWVQCSSA-N 2 0 200.326 0.863 20 0 BCADRP C[C@@H]1COCCN1CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422720909 387633467 /nfs/dbraw/zinc/63/34/67/387633467.db2.gz UDJWUTTYZBVBLL-JHJVBQTASA-N 2 0 241.379 0.424 20 0 BCADRP CCCCNC(=O)CC[NH+]1CCC([NH3+])CC1 ZINC000430642503 387635033 /nfs/dbraw/zinc/63/50/33/387635033.db2.gz OSXABOSJQUJYMM-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000430698386 387640470 /nfs/dbraw/zinc/64/04/70/387640470.db2.gz VAUFGXGTFJJSKZ-WCQYABFASA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)C[C@@H](C)[NH3+] ZINC000430698228 387640624 /nfs/dbraw/zinc/64/06/24/387640624.db2.gz YRGXCQMUWYGLKH-LLVKDONJSA-N 2 0 229.368 0.962 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430708201 387642580 /nfs/dbraw/zinc/64/25/80/387642580.db2.gz RVVAQQQPQIJUKI-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP COCC[N@H+](C)CCCNC(=O)[C@H]([NH3+])C(C)C ZINC000430702722 387643156 /nfs/dbraw/zinc/64/31/56/387643156.db2.gz RPPVUUKJIJJHAX-LLVKDONJSA-N 2 0 245.367 0.054 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH3+])C[C@H]1C ZINC000430795864 387652570 /nfs/dbraw/zinc/65/25/70/387652570.db2.gz IMXCEHWTVWYABR-MXWKQRLJSA-N 2 0 227.352 0.665 20 0 BCADRP C[NH2+]CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000430802244 387653864 /nfs/dbraw/zinc/65/38/64/387653864.db2.gz KTNALVGEXCFZTA-LBPRGKRZSA-N 2 0 239.363 0.396 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430899996 387658904 /nfs/dbraw/zinc/65/89/04/387658904.db2.gz OCAGDRRPDXBYEN-QWRGUYRKSA-N 2 0 225.336 0.419 20 0 BCADRP C[C@H]([NH2+]CCCN1CCCC1=O)[C@@H]1CCC[NH2+]1 ZINC000422755828 387659426 /nfs/dbraw/zinc/65/94/26/387659426.db2.gz BPZCWXRMODHKHK-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP CN(C(=O)CC[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430900944 387659480 /nfs/dbraw/zinc/65/94/80/387659480.db2.gz RWQVXNBMDKWMPR-JTQLQIEISA-N 2 0 211.309 0.030 20 0 BCADRP CC(C)C(=O)NCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422761696 387662682 /nfs/dbraw/zinc/66/26/82/387662682.db2.gz RMDAKBBSBGKIKI-RYUDHWBXSA-N 2 0 241.379 0.736 20 0 BCADRP CC(C)C(=O)NCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422761695 387663497 /nfs/dbraw/zinc/66/34/97/387663497.db2.gz RMDAKBBSBGKIKI-NWDGAFQWSA-N 2 0 241.379 0.736 20 0 BCADRP CCCCNC(=O)CC[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430937508 387664061 /nfs/dbraw/zinc/66/40/61/387664061.db2.gz CHDXQWZOXQKVQL-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NCC[NH+]1CCCC1 ZINC000422763905 387664843 /nfs/dbraw/zinc/66/48/43/387664843.db2.gz OBAVCOZMGFOXAG-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP CN(CC[NH+](C)C)C(=O)CC1CC[NH+](C)CC1 ZINC000362872500 387666090 /nfs/dbraw/zinc/66/60/90/387666090.db2.gz CNNNPNCPMGQFAD-UHFFFAOYSA-N 2 0 241.379 0.738 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CN[C@H](C)C1C[NH2+]C1 ZINC000422769020 387669006 /nfs/dbraw/zinc/66/90/06/387669006.db2.gz ZWRAGSZWFABDRJ-PWSUYJOCSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000431022324 387670518 /nfs/dbraw/zinc/67/05/18/387670518.db2.gz NICAIGMHNQUEJZ-IVZWLZJFSA-N 2 0 225.336 0.465 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000431025371 387671229 /nfs/dbraw/zinc/67/12/29/387671229.db2.gz YZKCFKPIIMPVKR-JFGNBEQYSA-N 2 0 237.347 0.195 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000431022920 387671500 /nfs/dbraw/zinc/67/15/00/387671500.db2.gz FXJAPMRBBGQPIO-UMNHJUIQSA-N 2 0 239.363 0.441 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000431022322 387671549 /nfs/dbraw/zinc/67/15/49/387671549.db2.gz NICAIGMHNQUEJZ-AEJSXWLSSA-N 2 0 225.336 0.465 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000431025372 387671627 /nfs/dbraw/zinc/67/16/27/387671627.db2.gz YZKCFKPIIMPVKR-SCVCMEIPSA-N 2 0 237.347 0.195 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424138637 387671881 /nfs/dbraw/zinc/67/18/81/387671881.db2.gz DKAOWZODDPAKRB-UTUOFQBUSA-N 2 0 239.363 0.524 20 0 BCADRP CC(C)[C@H](O)CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000422775876 387673075 /nfs/dbraw/zinc/67/30/75/387673075.db2.gz BPRQMRBBPXOSKF-QJPTWQEYSA-N 2 0 214.353 0.981 20 0 BCADRP C[C@@H]([NH3+])CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000422777192 387675888 /nfs/dbraw/zinc/67/58/88/387675888.db2.gz FQPQMTMCRFKWNN-SECBINFHSA-N 2 0 232.287 0.801 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000422781781 387681761 /nfs/dbraw/zinc/68/17/61/387681761.db2.gz JGGFJZPTPHGYMR-JTQLQIEISA-N 2 0 248.330 0.629 20 0 BCADRP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000126463305 387683305 /nfs/dbraw/zinc/68/33/05/387683305.db2.gz CBUDERRNLUKJAS-MNOVXSKESA-N 2 0 227.352 0.395 20 0 BCADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C ZINC000356644299 387684969 /nfs/dbraw/zinc/68/49/69/387684969.db2.gz MCAYPRGDHVSJPB-LLVKDONJSA-N 2 0 229.368 0.785 20 0 BCADRP COCCC[N@H+](C)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422787276 387686578 /nfs/dbraw/zinc/68/65/78/387686578.db2.gz UMNJASSIMBJYSK-CHWSQXEVSA-N 2 0 243.395 0.672 20 0 BCADRP CN(C(=O)[C@@H]1C[C@@H]1[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000424140586 387689892 /nfs/dbraw/zinc/68/98/92/387689892.db2.gz BJOMWSUAAMECQG-AXFHLTTASA-N 2 0 223.320 0.029 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1NCCC[NH+](C)C ZINC000422742954 387690271 /nfs/dbraw/zinc/69/02/71/387690271.db2.gz HJQUWHPLFREFLI-NWDGAFQWSA-N 2 0 213.369 0.916 20 0 BCADRP C[C@H](NCC[N@@H+]1CCC[C@H](C)C1)C1C[NH2+]C1 ZINC000422862208 387743730 /nfs/dbraw/zinc/74/37/30/387743730.db2.gz PISMDUHMYFMUJG-RYUDHWBXSA-N 2 0 225.380 0.916 20 0 BCADRP CCC[C@H](C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])[NH+](C)C ZINC000422864480 387747592 /nfs/dbraw/zinc/74/75/92/387747592.db2.gz NEOVXFFAMMNSOR-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000422863439 387747889 /nfs/dbraw/zinc/74/78/89/387747889.db2.gz PBFGXSLBVOPQSH-MNOVXSKESA-N 2 0 239.363 0.749 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CC1(C[NH3+])CC1 ZINC000422871665 387749814 /nfs/dbraw/zinc/74/98/14/387749814.db2.gz ZMSQOFKAONHSKS-GFCCVEGCSA-N 2 0 241.379 0.995 20 0 BCADRP CC[C@]1(C(=O)NCCC[NH+](C)C)CCC[NH2+]1 ZINC000128723500 387754164 /nfs/dbraw/zinc/75/41/64/387754164.db2.gz VZWMLPPANHOQNI-GFCCVEGCSA-N 2 0 227.352 0.587 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000424141100 387699878 /nfs/dbraw/zinc/69/98/78/387699878.db2.gz GTFHQOUKBPYSJD-SDDRHHMPSA-N 2 0 237.347 0.278 20 0 BCADRP CCCN(C(=O)CC1(C[NH3+])CC1)[C@H]1CC[NH2+]C1 ZINC000422802390 387701496 /nfs/dbraw/zinc/70/14/96/387701496.db2.gz HLICEHBXZLEHLS-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]1CN(C(=O)CC2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000237574824 387710185 /nfs/dbraw/zinc/71/01/85/387710185.db2.gz HRLXSEWEJMNBSS-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[NH+](C)C ZINC000629613985 387712737 /nfs/dbraw/zinc/71/27/37/387712737.db2.gz UOFGBQLAVSEDCT-GARJFASQSA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[NH+](C)C ZINC000629613987 387713997 /nfs/dbraw/zinc/71/39/97/387713997.db2.gz UOFGBQLAVSEDCT-HBNTYKKESA-N 2 0 227.352 0.713 20 0 BCADRP CCC[N@H+](CC)CCN[C@@H](C)C1C[NH2+]C1 ZINC000422822819 387716385 /nfs/dbraw/zinc/71/63/85/387716385.db2.gz KSFLFTIPDQLCKQ-NSHDSACASA-N 2 0 213.369 0.916 20 0 BCADRP CC[C@@H](C(=O)NCCC1(C[NH3+])CC1)[NH+](C)C ZINC000629614207 387716463 /nfs/dbraw/zinc/71/64/63/387716463.db2.gz DXZWOLPBWDXBPK-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[NH+](C/C=C/C[N@H+](C)CCCO)CCCO ZINC000440955782 387717259 /nfs/dbraw/zinc/71/72/59/387717259.db2.gz YECRMHMVODMPJQ-ONEGZZNKSA-N 2 0 230.352 0.171 20 0 BCADRP COC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000127587025 387719779 /nfs/dbraw/zinc/71/97/79/387719779.db2.gz ARZUJHBUGDKXMT-XQQFMLRXSA-N 2 0 242.363 0.410 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424141706 387719943 /nfs/dbraw/zinc/71/99/43/387719943.db2.gz HNRVIEZCEUACAB-TUAOUCFPSA-N 2 0 239.363 0.524 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000422824665 387720370 /nfs/dbraw/zinc/72/03/70/387720370.db2.gz HTFIGZROWWHKAB-HBNTYKKESA-N 2 0 229.368 0.578 20 0 BCADRP C[NH+](C)[C@]1(CN[C@H]2CCC[C@H]2[NH3+])CCSC1 ZINC000422828086 387721880 /nfs/dbraw/zinc/72/18/80/387721880.db2.gz SSDFZLGQSLSLBZ-WOPDTQHZSA-N 2 0 243.420 0.893 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[NH2+][C@H](C)C1)[C@@H](C)[NH3+] ZINC000422832784 387726986 /nfs/dbraw/zinc/72/69/86/387726986.db2.gz FYKASYDBYVBKKS-MXWKQRLJSA-N 2 0 227.352 0.426 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000424142529 387730742 /nfs/dbraw/zinc/73/07/42/387730742.db2.gz YKHXNEBCUBMROU-VPOLOUISSA-N 2 0 223.320 0.077 20 0 BCADRP COCC[N@H+](C)CCCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422852228 387737933 /nfs/dbraw/zinc/73/79/33/387737933.db2.gz XSDVHFYMTWFICM-QWHCGFSZSA-N 2 0 243.395 0.685 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000367647608 387739652 /nfs/dbraw/zinc/73/96/52/387739652.db2.gz BXCQPQJUKNWUEU-WOPDTQHZSA-N 2 0 239.363 0.572 20 0 BCADRP COCC[N@@H+]1CC[C@H](N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422890336 387763655 /nfs/dbraw/zinc/76/36/55/387763655.db2.gz RSRNZORJSDVXEV-AGIUHOORSA-N 2 0 241.379 0.295 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)CC1(C[NH3+])CC1 ZINC000422894483 387764971 /nfs/dbraw/zinc/76/49/71/387764971.db2.gz CKGPNAQZOJECNL-UHFFFAOYSA-N 2 0 227.352 0.559 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000378204362 387771371 /nfs/dbraw/zinc/77/13/71/387771371.db2.gz UFYSANOYWDWZKA-LBPRGKRZSA-N 2 0 243.326 0.146 20 0 BCADRP C[C@@H]([NH2+][C@H]1CC(=O)N([C@H]2C[C@H]2C)C1)C1C[NH2+]C1 ZINC000422919379 387775206 /nfs/dbraw/zinc/77/52/06/387775206.db2.gz JSYZSDBFXGPVMD-LSKIRQOJSA-N 2 0 237.347 0.193 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000422924091 387777859 /nfs/dbraw/zinc/77/78/59/387777859.db2.gz XQGVVBLIFRGXOW-IVZWLZJFSA-N 2 0 225.336 0.465 20 0 BCADRP C[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)C1C[NH2+]C1 ZINC000422922081 387777900 /nfs/dbraw/zinc/77/79/00/387777900.db2.gz RXHOCWPONVTDFF-KOLCDFICSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000422959361 387812431 /nfs/dbraw/zinc/81/24/31/387812431.db2.gz RSXXGXRIODSWRD-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424147500 387780917 /nfs/dbraw/zinc/78/09/17/387780917.db2.gz RHSKWGZVOTWLLL-AXFHLTTASA-N 2 0 225.336 0.276 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000433162626 387781928 /nfs/dbraw/zinc/78/19/28/387781928.db2.gz VDMGVNORAMDVOE-GRYCIOLGSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000527952683 387782676 /nfs/dbraw/zinc/78/26/76/387782676.db2.gz ISJJIZFMPZGUSE-MROQNXINSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H]([NH3+])CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000442650281 387812508 /nfs/dbraw/zinc/81/25/08/387812508.db2.gz OTMBQGJAYBMPTQ-CHWSQXEVSA-N 2 0 241.379 0.378 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCN[C@@H](C)C1C[NH2+]C1 ZINC000422901817 387787199 /nfs/dbraw/zinc/78/71/99/387787199.db2.gz CLDNGECAJUVUDL-MNOVXSKESA-N 2 0 213.369 0.914 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCn1cccn1 ZINC000422985200 387795552 /nfs/dbraw/zinc/79/55/52/387795552.db2.gz CNJYKVDHKAJHHY-VXGBXAGGSA-N 2 0 222.336 0.861 20 0 BCADRP C[C@@H](N[C@H]1C[N@H+](C)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000422988088 387797185 /nfs/dbraw/zinc/79/71/85/387797185.db2.gz ICTIXDATTJJFBX-NDBYEHHHSA-N 2 0 225.380 0.914 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NCCC[NH2+]C ZINC000418301842 387804684 /nfs/dbraw/zinc/80/46/84/387804684.db2.gz ADCBXXZAPZSXJC-JTQLQIEISA-N 2 0 230.356 0.413 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442605224 387807280 /nfs/dbraw/zinc/80/72/80/387807280.db2.gz ZXVXHHVYIKTQAF-RYUDHWBXSA-N 2 0 241.379 0.947 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442598803 387808691 /nfs/dbraw/zinc/80/86/91/387808691.db2.gz AUVFBAKZIGLTLJ-TUAOUCFPSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccoc1 ZINC000309503243 387809298 /nfs/dbraw/zinc/80/92/98/387809298.db2.gz BKWBMWSDKICXOB-JQWIXIFHSA-N 2 0 224.304 0.997 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)CC1(C[NH3+])CC1 ZINC000422881318 387757412 /nfs/dbraw/zinc/75/74/12/387757412.db2.gz QAGZPAVUZUIGSO-UHFFFAOYSA-N 2 0 227.352 0.749 20 0 BCADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H](C)[NH3+] ZINC000643526928 387760318 /nfs/dbraw/zinc/76/03/18/387760318.db2.gz HQIDEHMUBMUOGF-QWRGUYRKSA-N 2 0 210.325 0.845 20 0 BCADRP C[C@@H]([NH3+])CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000442667076 387820065 /nfs/dbraw/zinc/82/00/65/387820065.db2.gz VDBQPVNPPMQRMM-DGCLKSJQSA-N 2 0 225.380 0.997 20 0 BCADRP C[C@H](NC[C@@H](O)C[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422973249 387822085 /nfs/dbraw/zinc/82/20/85/387822085.db2.gz BONYSBUMJWHZMV-QJPTWQEYSA-N 2 0 229.368 0.029 20 0 BCADRP CC[C@@H]([NH2+][C@@H](C)CCO)[C@@H]1CCC[NH2+]1 ZINC000422975237 387822766 /nfs/dbraw/zinc/82/27/66/387822766.db2.gz GGCZQBDQCAPAFE-AXFHLTTASA-N 2 0 200.326 0.878 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000528011681 387823058 /nfs/dbraw/zinc/82/30/58/387823058.db2.gz MSMLMFZCJXTTFN-ZYHUDNBSSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H](CO)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422974633 387823628 /nfs/dbraw/zinc/82/36/28/387823628.db2.gz RJZUTYJOTLWZQX-OUAUKWLOSA-N 2 0 200.326 0.735 20 0 BCADRP CC[C@@H](CCO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422973716 387823663 /nfs/dbraw/zinc/82/36/63/387823663.db2.gz CKVZXLDUCRGGOK-DCAQKATOSA-N 2 0 200.326 0.878 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000424156693 387825565 /nfs/dbraw/zinc/82/55/65/387825565.db2.gz PVSMGBIHIORXJL-QJPTWQEYSA-N 2 0 237.347 0.324 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000442711693 387826887 /nfs/dbraw/zinc/82/68/87/387826887.db2.gz FEMLAZJQVNIQEZ-GARJFASQSA-N 2 0 227.352 0.748 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000442711692 387827160 /nfs/dbraw/zinc/82/71/60/387827160.db2.gz FEMLAZJQVNIQEZ-DCAQKATOSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H](C)CO ZINC000423005883 387828745 /nfs/dbraw/zinc/82/87/45/387828745.db2.gz NKOHLSXJTRPROM-GVXVVHGQSA-N 2 0 222.332 0.915 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2COC2)[C@H](C)C1 ZINC000528023093 387828943 /nfs/dbraw/zinc/82/89/43/387828943.db2.gz DIKCUNGSEGAYKB-ZYHUDNBSSA-N 2 0 212.337 0.953 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000442715450 387829213 /nfs/dbraw/zinc/82/92/13/387829213.db2.gz MVHTUOURNHJYDB-SNVBAGLBSA-N 2 0 229.368 0.947 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000424157579 387830686 /nfs/dbraw/zinc/83/06/86/387830686.db2.gz PZQIIDLSBULDOL-ADEWGFFLSA-N 2 0 237.347 0.467 20 0 BCADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCC[NH2+]C)C[C@@H]1C ZINC000418324180 387831250 /nfs/dbraw/zinc/83/12/50/387831250.db2.gz HGXBTCBCRMQIKL-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000442734530 387832952 /nfs/dbraw/zinc/83/29/52/387832952.db2.gz UEKFXZUHCKHSNJ-DCAQKATOSA-N 2 0 229.368 0.994 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NCCOCC[NH+](C)C ZINC000423075738 387873292 /nfs/dbraw/zinc/87/32/92/387873292.db2.gz XSYFXSVQYJSBMQ-NWDGAFQWSA-N 2 0 229.368 0.152 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@H]1CCN(C2CC2)C1=O ZINC000442751177 387834867 /nfs/dbraw/zinc/83/48/67/387834867.db2.gz BTVJGUFSYGFANK-SCVCMEIPSA-N 2 0 237.347 0.419 20 0 BCADRP CC[C@H]([NH2+]CC1(CO)CC1)[C@@H]1CCC[NH2+]1 ZINC000643459394 387836056 /nfs/dbraw/zinc/83/60/56/387836056.db2.gz XMPNRXNDDZXIMG-QWRGUYRKSA-N 2 0 212.337 0.879 20 0 BCADRP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442777708 387837644 /nfs/dbraw/zinc/83/76/44/387837644.db2.gz JQWTVBFTJHGUDT-GRYCIOLGSA-N 2 0 241.379 0.911 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424159447 387839086 /nfs/dbraw/zinc/83/90/86/387839086.db2.gz SUYSWBDJPWBVCQ-BBBLOLIVSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424159411 387839484 /nfs/dbraw/zinc/83/94/84/387839484.db2.gz SPMIGJFCQIFPLJ-TUAOUCFPSA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+][C@H]1CCC[C@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000070502768 387840393 /nfs/dbraw/zinc/84/03/93/387840393.db2.gz JQUFIXBPFBQGJB-QWRGUYRKSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000645845694 387841081 /nfs/dbraw/zinc/84/10/81/387841081.db2.gz ALTKRZYWSWAXOQ-LLVKDONJSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)C(=O)NCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423017828 387841788 /nfs/dbraw/zinc/84/17/88/387841788.db2.gz XFFMZDHTNSSKON-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)C1=O ZINC000442792520 387842207 /nfs/dbraw/zinc/84/22/07/387842207.db2.gz QHVSIVAYKQVARA-TUAOUCFPSA-N 2 0 239.363 0.665 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423029440 387845704 /nfs/dbraw/zinc/84/57/04/387845704.db2.gz AHNONIAUKPBVFO-CHWSQXEVSA-N 3 0 243.395 0.814 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000424163388 387845792 /nfs/dbraw/zinc/84/57/92/387845792.db2.gz DPRTWVVWFLXSDG-WUHRBBMRSA-N 2 0 245.326 0.287 20 0 BCADRP Cc1ncc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(=O)[nH]1 ZINC000423028806 387846742 /nfs/dbraw/zinc/84/67/42/387846742.db2.gz HEQVPAJUGKVQHZ-HTQZYQBOSA-N 2 0 224.308 0.706 20 0 BCADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCn1ccnn1 ZINC000423031990 387849757 /nfs/dbraw/zinc/84/97/57/387849757.db2.gz LYYUMAIDUKATLI-NWDGAFQWSA-N 2 0 237.351 0.918 20 0 BCADRP CC[C@H]([NH2+]CCCOCCO)[C@@H]1CCC[NH2+]1 ZINC000423044336 387855234 /nfs/dbraw/zinc/85/52/34/387855234.db2.gz QYTCSPCRGPQFCJ-RYUDHWBXSA-N 2 0 230.352 0.506 20 0 BCADRP CC1=CC[N@H+](CCN[C@H](C)C2C[NH2+]C2)CC1 ZINC000423041898 387856195 /nfs/dbraw/zinc/85/61/95/387856195.db2.gz YBEWBIQPPVUBSC-GFCCVEGCSA-N 2 0 223.364 0.836 20 0 BCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424168432 387857637 /nfs/dbraw/zinc/85/76/37/387857637.db2.gz FSHPPZPQOWGIMS-VWYCJHECSA-N 2 0 225.336 0.132 20 0 BCADRP CCN(C)C(=O)CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193653512 387858241 /nfs/dbraw/zinc/85/82/41/387858241.db2.gz RPXSYBRVUGSFBD-TXEJJXNPSA-N 2 0 239.363 0.348 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000433115779 387863921 /nfs/dbraw/zinc/86/39/21/387863921.db2.gz JGNNXUUGERUVRN-SDDRHHMPSA-N 2 0 241.379 0.851 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000433110809 387865827 /nfs/dbraw/zinc/86/58/27/387865827.db2.gz CIGKMWZNEVHWBH-ZYHUDNBSSA-N 2 0 227.352 0.461 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424172881 387869501 /nfs/dbraw/zinc/86/95/01/387869501.db2.gz LOEDZEMYKYPSBU-KXUCPTDWSA-N 2 0 225.336 0.228 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000442667703 387819024 /nfs/dbraw/zinc/81/90/24/387819024.db2.gz ZRDLKLVNBDQFIP-TUAOUCFPSA-N 2 0 213.369 0.996 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000433175593 387876057 /nfs/dbraw/zinc/87/60/57/387876057.db2.gz MJIDXNUKEMGGDY-RYUDHWBXSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000433175591 387876881 /nfs/dbraw/zinc/87/68/81/387876881.db2.gz MJIDXNUKEMGGDY-NEPJUHHUSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538883 387877626 /nfs/dbraw/zinc/87/76/26/387877626.db2.gz YTZPZLUHGZFJNE-RCWTZXSCSA-N 2 0 215.316 0.274 20 0 BCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC[C@H]21 ZINC000424175002 387877774 /nfs/dbraw/zinc/87/77/74/387877774.db2.gz OZJQLFCDHUBVBL-WISYIIOYSA-N 2 0 237.347 0.276 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1[NH2+]CC1(C)C)C1CC1 ZINC000645857438 387877819 /nfs/dbraw/zinc/87/78/19/387877819.db2.gz FPWOKRWOPZMHKS-LLVKDONJSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000643538345 387878291 /nfs/dbraw/zinc/87/82/91/387878291.db2.gz HHDPYVKDSARGCW-RCWTZXSCSA-N 2 0 215.316 0.417 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCN1CC=CCC1 ZINC000423094546 387885643 /nfs/dbraw/zinc/88/56/43/387885643.db2.gz KJDWDJUSJMLSPO-VXGBXAGGSA-N 2 0 211.353 0.964 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000423100270 387887973 /nfs/dbraw/zinc/88/79/73/387887973.db2.gz UZHYGJWXIURFPS-VXGBXAGGSA-N 2 0 209.337 0.718 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]([NH3+])CC(C)C ZINC000019512413 387918532 /nfs/dbraw/zinc/91/85/32/387918532.db2.gz PRSDSRSMKXMODF-LLVKDONJSA-N 2 0 229.368 0.818 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H](C)C[NH2+]C ZINC000236672815 387900673 /nfs/dbraw/zinc/90/06/73/387900673.db2.gz BIHZDIVNAYFVIN-JTQLQIEISA-N 2 0 229.368 0.723 20 0 BCADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)C1C[NH2+]C1 ZINC000423123103 387902537 /nfs/dbraw/zinc/90/25/37/387902537.db2.gz MATQISLUGOKDNN-MNOVXSKESA-N 2 0 213.369 0.913 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000236765620 387905253 /nfs/dbraw/zinc/90/52/53/387905253.db2.gz QHJDCFCQQPSESD-QWRGUYRKSA-N 2 0 225.336 0.420 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000236763784 387906397 /nfs/dbraw/zinc/90/63/97/387906397.db2.gz QHJDCFCQQPSESD-WDEREUQCSA-N 2 0 225.336 0.420 20 0 BCADRP CC1CC[NH+](CC(=O)NCC[NH+](C)C)CC1 ZINC000195131862 387908935 /nfs/dbraw/zinc/90/89/35/387908935.db2.gz YGKUSOOBSSIFPH-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195232643 387910019 /nfs/dbraw/zinc/91/00/19/387910019.db2.gz LSQXFKGRCPBILB-UKKRHICBSA-N 2 0 225.336 0.038 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195232620 387910715 /nfs/dbraw/zinc/91/07/15/387910715.db2.gz LSQXFKGRCPBILB-MMWGEVLESA-N 2 0 225.336 0.038 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000238061811 387931087 /nfs/dbraw/zinc/93/10/87/387931087.db2.gz VJFIYOBYSMEZAW-NEPJUHHUSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424217838 387935749 /nfs/dbraw/zinc/93/57/49/387935749.db2.gz OMOYBRWXJFFTQH-HBNTYKKESA-N 2 0 227.352 0.603 20 0 BCADRP CC[C@H]([NH2+]CC[C@@](C)(O)COC)[C@@H]1CCC[NH2+]1 ZINC000423143465 387919997 /nfs/dbraw/zinc/91/99/97/387919997.db2.gz DEDWISWXCNXULK-RWMBFGLXSA-N 2 0 244.379 0.894 20 0 BCADRP [NH3+]CCC[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])c1ccccc1 ZINC000424197307 387923225 /nfs/dbraw/zinc/92/32/25/387923225.db2.gz OATHPODBSNGYDG-FRRDWIJNSA-N 2 0 247.342 0.930 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCCC(=O)N(C)C)CC[N@@H+]1C ZINC000156142682 387923226 /nfs/dbraw/zinc/92/32/26/387923226.db2.gz HDBGXQMGCZRCNC-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C[NH3+])Cc1ccccc1 ZINC000237191175 387924139 /nfs/dbraw/zinc/92/41/39/387924139.db2.gz IXOMEICPBZWBOA-LBPRGKRZSA-N 2 0 235.331 0.234 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCCNc1cc[nH+]cc1 ZINC000645642549 387948522 /nfs/dbraw/zinc/94/85/22/387948522.db2.gz JDDYMDRDDUVMJF-VHSXEESVSA-N 2 0 236.319 0.015 20 0 BCADRP [NH3+]C[C@@H](CN1CC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000424275409 387948774 /nfs/dbraw/zinc/94/87/74/387948774.db2.gz XBWFPUVTLLRXPJ-WCQYABFASA-N 2 0 237.322 0.901 20 0 BCADRP C[C@@H](CNC(=O)C1CC[NH2+]CC1)[N@H+](C)C1CC1 ZINC000226398458 387949221 /nfs/dbraw/zinc/94/92/21/387949221.db2.gz FNEAFFQNOFWTIA-JTQLQIEISA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](NCCCN1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000423176037 387961361 /nfs/dbraw/zinc/96/13/61/387961361.db2.gz BQEYFYDKYKEDSN-CHWSQXEVSA-N 2 0 240.395 0.012 20 0 BCADRP COC[C@@H](C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000158849849 387966635 /nfs/dbraw/zinc/96/66/35/387966635.db2.gz CYBRFWPAUSYDFF-GFCCVEGCSA-N 2 0 230.352 0.723 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000245650519 387970024 /nfs/dbraw/zinc/97/00/24/387970024.db2.gz ARZUJHBUGDKXMT-FRRDWIJNSA-N 2 0 242.363 0.410 20 0 BCADRP CC[N@@H+]1C[C@@H](C)[C@@H](NC2CC[NH2+]CC2)C1 ZINC000423185897 387970221 /nfs/dbraw/zinc/97/02/21/387970221.db2.gz NUUPLMWZJGSOAO-PWSUYJOCSA-N 2 0 211.353 0.668 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000424337390 387980370 /nfs/dbraw/zinc/98/03/70/387980370.db2.gz LBPXDGUXIKAHDR-NKWVEPMBSA-N 2 0 208.265 0.612 20 0 BCADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCC[NH3+])CO2 ZINC000423192963 387978003 /nfs/dbraw/zinc/97/80/03/387978003.db2.gz QJWHDTUXZPDQAY-LLVKDONJSA-N 2 0 236.315 0.937 20 0 BCADRP C[C@H]1CC2(C[N@@H+]1Cc1cnnn1C)CC[NH2+]CC2 ZINC000424368494 387992198 /nfs/dbraw/zinc/99/21/98/387992198.db2.gz AAWMPJCURXPTSA-NSHDSACASA-N 2 0 249.362 0.779 20 0 BCADRP FC1(F)CNCC[C@@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000424368046 387992211 /nfs/dbraw/zinc/99/22/11/387992211.db2.gz OQXGRXIIWFFITG-LLVKDONJSA-N 2 0 247.333 0.820 20 0 BCADRP Cc1ccncc1[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423207854 387993631 /nfs/dbraw/zinc/99/36/31/387993631.db2.gz SINCLFYGJKFCQJ-CYBMUJFWSA-N 2 0 248.374 0.946 20 0 BCADRP COC[C@H]([NH2+]CCN1CC[NH2+]CC1)C(C)C ZINC000423211068 387994889 /nfs/dbraw/zinc/99/48/89/387994889.db2.gz XUVOLLLEOLFPLN-LBPRGKRZSA-N 2 0 229.368 0.152 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423196997 387982458 /nfs/dbraw/zinc/98/24/58/387982458.db2.gz XENIDKKPRFSLPM-NQBHXWOUSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@@H]1CC[N@H+](CCN2CCCC2=O)C[C@@H]1C[NH3+] ZINC000420405873 387998776 /nfs/dbraw/zinc/99/87/76/387998776.db2.gz NBISYCUBACMDNE-NEPJUHHUSA-N 2 0 239.363 0.526 20 0 BCADRP COCCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424374876 387999636 /nfs/dbraw/zinc/99/96/36/387999636.db2.gz LYEXGEKBZIJZMR-YNEHKIRRSA-N 2 0 241.379 0.567 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)[C@H]1CCC[NH2+]1 ZINC000424382314 388000808 /nfs/dbraw/zinc/00/08/08/388000808.db2.gz SADYGJSRXQFUQZ-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000446139385 388003168 /nfs/dbraw/zinc/00/31/68/388003168.db2.gz NYMWPVVPDALXSL-VWYCJHECSA-N 2 0 225.336 0.230 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645889487 388006446 /nfs/dbraw/zinc/00/64/46/388006446.db2.gz LLHKRUSUVVLDEE-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H]([NH3+])CCN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423226368 388009007 /nfs/dbraw/zinc/00/90/07/388009007.db2.gz QMERZEOKSUIOCO-JBLDHEPKSA-N 2 0 211.353 0.796 20 0 BCADRP C[C@H]([NH3+])CCN[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423226370 388009080 /nfs/dbraw/zinc/00/90/80/388009080.db2.gz QMERZEOKSUIOCO-NHCYSSNCSA-N 2 0 211.353 0.796 20 0 BCADRP COc1ccc2c(c1)C[C@@H](N[C@@H]1CC[NH2+]C1)CO2 ZINC000423212500 387996114 /nfs/dbraw/zinc/99/61/14/387996114.db2.gz JPKHGPMSTYXHEA-VXGBXAGGSA-N 2 0 248.326 0.950 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424370983 387996288 /nfs/dbraw/zinc/99/62/88/387996288.db2.gz FLPMIKUPOMHMRF-DDHJBXDOSA-N 2 0 211.353 0.796 20 0 BCADRP C[NH2+]CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423239975 388023994 /nfs/dbraw/zinc/02/39/94/388023994.db2.gz GMIINQTZOMWZKL-NEPJUHHUSA-N 2 0 205.305 0.940 20 0 BCADRP C[NH2+]CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423239978 388024479 /nfs/dbraw/zinc/02/44/79/388024479.db2.gz GMIINQTZOMWZKL-VXGBXAGGSA-N 2 0 205.305 0.940 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424460589 388012009 /nfs/dbraw/zinc/01/20/09/388012009.db2.gz BLPZYCLIPDTWCO-HBNTYKKESA-N 2 0 242.367 0.683 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424469858 388012110 /nfs/dbraw/zinc/01/21/10/388012110.db2.gz PUAQEQGHQSSLKS-AXTSPUMRSA-N 2 0 228.340 0.291 20 0 BCADRP C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])[C@H](C)[NH3+] ZINC000424469860 388012218 /nfs/dbraw/zinc/01/22/18/388012218.db2.gz PUAQEQGHQSSLKS-SGIHWFKDSA-N 2 0 228.340 0.291 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424471403 388014320 /nfs/dbraw/zinc/01/43/20/388014320.db2.gz CTLXSVJRKCOCMX-GMTAPVOTSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@@H]1CCC[NH2+]1 ZINC000423229375 388014949 /nfs/dbraw/zinc/01/49/49/388014949.db2.gz BASYYRQXCQEJNA-MDZLAQPJSA-N 2 0 223.364 0.811 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000424473625 388018698 /nfs/dbraw/zinc/01/86/98/388018698.db2.gz HKRRQMBPZDFDOR-HBNTYKKESA-N 2 0 240.351 0.308 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000424473624 388019582 /nfs/dbraw/zinc/01/95/82/388019582.db2.gz HKRRQMBPZDFDOR-GMTAPVOTSA-N 2 0 240.351 0.308 20 0 BCADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000423237108 388021264 /nfs/dbraw/zinc/02/12/64/388021264.db2.gz SWONWQDERKCPLG-WDEREUQCSA-N 2 0 229.368 0.960 20 0 BCADRP CC[NH2+]CCN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423236371 388021464 /nfs/dbraw/zinc/02/14/64/388021464.db2.gz CBKAAUYOHOZEAO-QWRGUYRKSA-N 2 0 211.353 0.811 20 0 BCADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000423256153 388036379 /nfs/dbraw/zinc/03/63/79/388036379.db2.gz BISHUBWNVGECCL-MNOVXSKESA-N 2 0 239.367 0.847 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000424480518 388037361 /nfs/dbraw/zinc/03/73/61/388037361.db2.gz QAMUIXNYLLQOKI-HBNTYKKESA-N 2 0 240.351 0.308 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423258243 388038105 /nfs/dbraw/zinc/03/81/05/388038105.db2.gz LVIMEVUCVWIXEX-JHJVBQTASA-N 2 0 225.380 0.916 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424474736 388026359 /nfs/dbraw/zinc/02/63/59/388026359.db2.gz IMPXGENLSZTQRC-OPRDCNLKSA-N 2 0 228.340 0.293 20 0 BCADRP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000423244861 388028014 /nfs/dbraw/zinc/02/80/14/388028014.db2.gz XWMOPMZQAUYLGW-WOPDTQHZSA-N 2 0 223.364 0.953 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000645892957 388029736 /nfs/dbraw/zinc/02/97/36/388029736.db2.gz RMBPNFILPLTRPL-WDEREUQCSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000645892956 388029951 /nfs/dbraw/zinc/02/99/51/388029951.db2.gz RMBPNFILPLTRPL-QWRGUYRKSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C1([NH3+])CC1 ZINC000083834470 388063721 /nfs/dbraw/zinc/06/37/21/388063721.db2.gz HIWGKKIDIWAIMN-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000423281595 388063789 /nfs/dbraw/zinc/06/37/89/388063789.db2.gz VUQBHAWDTGSWSD-WDEREUQCSA-N 3 0 201.358 0.949 20 0 BCADRP [NH3+]CC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000083960798 388068470 /nfs/dbraw/zinc/06/84/70/388068470.db2.gz NKOGTRFIIXVXTR-UHFFFAOYSA-N 2 0 239.363 0.670 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000447438086 388070219 /nfs/dbraw/zinc/07/02/19/388070219.db2.gz FTXMYCIJHUQGMJ-ZWNOBZJWSA-N 2 0 235.331 0.714 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000447434871 388072205 /nfs/dbraw/zinc/07/22/05/388072205.db2.gz KALCOSHIPFDKOY-MFKMUULPSA-N 2 0 235.331 0.572 20 0 BCADRP C[C@@]([NH3+])(C(=O)NCC1([NH3+])CCC1)c1ccccc1 ZINC000447438102 388072553 /nfs/dbraw/zinc/07/25/53/388072553.db2.gz DHCDBCVWNRATQN-ZDUSSCGKSA-N 2 0 247.342 0.858 20 0 BCADRP CCN1C[C@H]([NH2+]C[C@@]2(C)CCC(=O)N2)[C@@H](C)C1 ZINC000453405149 388075241 /nfs/dbraw/zinc/07/52/41/388075241.db2.gz DXYVKVOCVSIXGW-GMXVVIOVSA-N 2 0 239.363 0.585 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423294461 388076956 /nfs/dbraw/zinc/07/69/56/388076956.db2.gz CAIMKIZLFADBOG-MDZLAQPJSA-N 2 0 237.347 0.339 20 0 BCADRP COCC[N@@H+]1CC[C@@H](NC[C@@H]([NH3+])C(C)C)C1 ZINC000423271322 388049254 /nfs/dbraw/zinc/04/92/54/388049254.db2.gz IXZQUKPQMSZSPU-VXGBXAGGSA-N 2 0 229.368 0.280 20 0 BCADRP C[C@@H]([NH3+])CC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000646156662 388157429 /nfs/dbraw/zinc/15/74/29/388157429.db2.gz PDDXXHGYRLLCEJ-SECBINFHSA-N 2 0 236.319 0.819 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC1CCC([NH3+])CC1 ZINC000646198734 388162905 /nfs/dbraw/zinc/16/29/05/388162905.db2.gz IWEFINKWURQRQM-IZUQBHJASA-N 2 0 242.367 0.681 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[NH2+]C1CC1 ZINC000646196693 388163059 /nfs/dbraw/zinc/16/30/59/388163059.db2.gz REOIEXZVYRKJBA-DTWKUNHWSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000646204812 388163277 /nfs/dbraw/zinc/16/32/77/388163277.db2.gz JODOKAATELKTKL-UKKRHICBSA-N 2 0 242.367 0.681 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000646205573 388163924 /nfs/dbraw/zinc/16/39/24/388163924.db2.gz KNBZIQRIGHWNGB-SECBINFHSA-N 2 0 236.319 0.292 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C1([NH3+])CCC1)C1CC1 ZINC000449330523 388174341 /nfs/dbraw/zinc/17/43/41/388174341.db2.gz ULHVKHMRSMPORH-SNVBAGLBSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC000488500213 388183234 /nfs/dbraw/zinc/18/32/34/388183234.db2.gz DCTKFUKGPXTPBJ-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000449368028 388184132 /nfs/dbraw/zinc/18/41/32/388184132.db2.gz BMQSLQBAUURSJF-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H](C)CC[NH3+] ZINC000449372413 388185336 /nfs/dbraw/zinc/18/53/36/388185336.db2.gz HQBHPIZUOWLZRT-PWSUYJOCSA-N 2 0 235.331 0.848 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)NC[C@H](C)[NH+](C)C ZINC000454466562 388119565 /nfs/dbraw/zinc/11/95/65/388119565.db2.gz ILGMSTXMYUHJCI-NSHDSACASA-N 2 0 244.383 0.576 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)CC[NH3+] ZINC000646010909 388123519 /nfs/dbraw/zinc/12/35/19/388123519.db2.gz YNMDYWJNGIZSRN-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C[C@@H](C)[NH3+] ZINC000646010764 388124101 /nfs/dbraw/zinc/12/41/01/388124101.db2.gz KHEYADZPFRTNEE-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449079657 388139787 /nfs/dbraw/zinc/13/97/87/388139787.db2.gz ZSJBEFVAIQCSNI-KXNHARMFSA-N 2 0 239.363 0.570 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000449084950 388140366 /nfs/dbraw/zinc/14/03/66/388140366.db2.gz JVJXRUYAHGMAPT-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000449098314 388142247 /nfs/dbraw/zinc/14/22/47/388142247.db2.gz PFRVEJGEZVLGBK-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000449105360 388142815 /nfs/dbraw/zinc/14/28/15/388142815.db2.gz YOFNABFNORNZLR-SDDRHHMPSA-N 2 0 239.363 0.762 20 0 BCADRP COC[C@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104867 388142949 /nfs/dbraw/zinc/14/29/49/388142949.db2.gz ZXILCKOAQUSQKF-LBPRGKRZSA-N 2 0 242.363 0.818 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000449111783 388144070 /nfs/dbraw/zinc/14/40/70/388144070.db2.gz NYRTUMWJYWDPSR-NWDGAFQWSA-N 2 0 241.379 0.880 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000449117227 388144285 /nfs/dbraw/zinc/14/42/85/388144285.db2.gz TVZHGWNPUMZVSC-GHMZBOCLSA-N 2 0 243.395 0.982 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449115316 388144549 /nfs/dbraw/zinc/14/45/49/388144549.db2.gz LJAMGFALHVULTR-QJPTWQEYSA-N 2 0 241.379 0.866 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC1(C[NH3+])CCCC1 ZINC000449112930 388144703 /nfs/dbraw/zinc/14/47/03/388144703.db2.gz DWMNAEQPJKFTRL-SNVBAGLBSA-N 2 0 227.352 0.762 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000449121193 388145125 /nfs/dbraw/zinc/14/51/25/388145125.db2.gz GUVHKNHONMBNDP-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]C[C@H](NC(=O)C1([NH3+])CCC1)C1CCCCC1 ZINC000449117670 388145299 /nfs/dbraw/zinc/14/52/99/388145299.db2.gz PJMKFTCKJDGYPI-NSHDSACASA-N 2 0 239.363 0.892 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449121675 388145341 /nfs/dbraw/zinc/14/53/41/388145341.db2.gz INBAFZLUOREMDE-GRYCIOLGSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000449122427 388145521 /nfs/dbraw/zinc/14/55/21/388145521.db2.gz LIXULBJNKNHSRD-IQJOONFLSA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000449125746 388146120 /nfs/dbraw/zinc/14/61/20/388146120.db2.gz TZWOAVUBLKBWIM-CABZTGNLSA-N 2 0 227.352 0.617 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C1([NH3+])CCC1 ZINC000449137086 388147960 /nfs/dbraw/zinc/14/79/60/388147960.db2.gz DJKLSKXXZBLHAD-SNVBAGLBSA-N 2 0 227.352 0.700 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449145832 388148475 /nfs/dbraw/zinc/14/84/75/388148475.db2.gz MIOVLSGITQXQTN-KOLCDFICSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H](NC[C@@H]([NH3+])C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000517553890 256527233 /nfs/dbraw/zinc/52/72/33/256527233.db2.gz BGXZBVRMJDLEMP-JLLWLGSASA-N 2 0 211.353 0.844 20 0 BCADRP OCCCN1CCC[C@H]1C[NH2+][C@H]1CCSC1 ZINC000449388033 388191115 /nfs/dbraw/zinc/19/11/15/388191115.db2.gz NTWSGXJQVGYUGX-RYUDHWBXSA-N 2 0 244.404 0.928 20 0 BCADRP CCCN(C(=O)CC[NH2+]C(C)C)[C@H]1CC[NH2+]C1 ZINC000517900038 256553789 /nfs/dbraw/zinc/55/37/89/256553789.db2.gz PAVJXNMNFVWCOX-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000517940968 256554761 /nfs/dbraw/zinc/55/47/61/256554761.db2.gz HQWPLPKUGJOASK-CIUDSAMLSA-N 2 0 201.314 0.084 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000489552892 388220767 /nfs/dbraw/zinc/22/07/67/388220767.db2.gz NIVCZBSGJNNNIR-RYUDHWBXSA-N 2 0 235.331 0.786 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000449517017 388221803 /nfs/dbraw/zinc/22/18/03/388221803.db2.gz DHZNESRCMZCFJG-ZJUUUORDSA-N 2 0 229.368 0.735 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449529909 388225340 /nfs/dbraw/zinc/22/53/40/388225340.db2.gz ATIDGTHSHAOJSO-WRWGMCAJSA-N 2 0 239.363 0.842 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000449539120 388227425 /nfs/dbraw/zinc/22/74/25/388227425.db2.gz VIANVBVPEFUJMG-CMPLNLGQSA-N 2 0 239.363 0.857 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000646327572 388229541 /nfs/dbraw/zinc/22/95/41/388229541.db2.gz HIGTUOACXDCYGG-VXGBXAGGSA-N 2 0 239.363 0.442 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000449558605 388231961 /nfs/dbraw/zinc/23/19/61/388231961.db2.gz YLFDMJHWXVQCAW-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C2(C)C[NH2+]C2)CC[NH2+]1 ZINC000646329763 388235465 /nfs/dbraw/zinc/23/54/65/388235465.db2.gz ZLOCFCGBRWIGLU-SNVBAGLBSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449570418 388236270 /nfs/dbraw/zinc/23/62/70/388236270.db2.gz JKNLJHFZFNOXAN-YFVNTRNASA-N 2 0 237.347 0.193 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000449604434 388240962 /nfs/dbraw/zinc/24/09/62/388240962.db2.gz SWNPILCBVKHQIG-DNRKLUKYSA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000449608640 388241550 /nfs/dbraw/zinc/24/15/50/388241550.db2.gz JCDHAHBRTMKUPZ-KOLCDFICSA-N 2 0 213.325 0.372 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH3+])CC ZINC000449608567 388241642 /nfs/dbraw/zinc/24/16/42/388241642.db2.gz IKABFTBXTUWDAO-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C[N@H+](C)C(C)C ZINC000449608503 388241779 /nfs/dbraw/zinc/24/17/79/388241779.db2.gz IDANXQIBNQQUMK-VIFPVBQESA-N 2 0 201.314 0.180 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000449624195 388245011 /nfs/dbraw/zinc/24/50/11/388245011.db2.gz MTFKVUBRQPTQBQ-MRVPVSSYSA-N 2 0 244.245 0.206 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449635625 388246967 /nfs/dbraw/zinc/24/69/67/388246967.db2.gz UXAWOVDHBBJAMY-OUAUKWLOSA-N 2 0 241.379 0.994 20 0 BCADRP C[NH+](C)C/C=C/C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000491636833 388307273 /nfs/dbraw/zinc/30/72/73/388307273.db2.gz HWEIWKYPJBKFAG-WMADIVHISA-N 2 0 239.363 0.657 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)/C=C\C[NH+](C)C ZINC000491845194 388324649 /nfs/dbraw/zinc/32/46/49/388324649.db2.gz JSCWWACGTAQLHE-LAUAKBEESA-N 2 0 241.379 0.951 20 0 BCADRP CC[N@H+](C)CCNC(=O)/C=C\C[NH+](C)C ZINC000491868743 388325476 /nfs/dbraw/zinc/32/54/76/388325476.db2.gz MNQWTMWZPAQMCE-SREVYHEPSA-N 2 0 213.325 0.172 20 0 BCADRP C[NH+](C)C/C=C\C(=O)NCC[N@H+]1CC=CCC1 ZINC000491959884 388329640 /nfs/dbraw/zinc/32/96/40/388329640.db2.gz FQWMGQWCDUUMNS-SREVYHEPSA-N 2 0 237.347 0.482 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)o1 ZINC000646336041 388261863 /nfs/dbraw/zinc/26/18/63/388261863.db2.gz FYKLXDOJOMFVPR-GXSJLCMTSA-N 2 0 249.314 0.562 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646335907 388261984 /nfs/dbraw/zinc/26/19/84/388261984.db2.gz BOAYZLVBGKNJKA-BJDJZHNGSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953095 388268806 /nfs/dbraw/zinc/26/88/06/388268806.db2.gz ANFHBZVGXMIKGG-JBLDHEPKSA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+][C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)C1CCC1 ZINC000646338359 388272188 /nfs/dbraw/zinc/27/21/88/388272188.db2.gz JYWLYSDCTGUFLT-DLOVCJGASA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+]CC1(CC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000646338736 388272862 /nfs/dbraw/zinc/27/28/62/388272862.db2.gz UBDCHUBEHWWXIV-WDEREUQCSA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCC1 ZINC000646338520 388272883 /nfs/dbraw/zinc/27/28/83/388272883.db2.gz PFEFKGIFQGSJIB-VHSXEESVSA-N 2 0 223.320 0.078 20 0 BCADRP C[C@]1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000646368084 388346752 /nfs/dbraw/zinc/34/67/52/388346752.db2.gz VKTNJLNCIGFKHN-GVXVVHGQSA-N 2 0 237.347 0.054 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646385248 388348779 /nfs/dbraw/zinc/34/87/79/388348779.db2.gz ZUQGNOOTLZFFIB-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP Cc1cc(NC(=O)[C@H]2[NH2+]CC2(C)C)ccn1 ZINC000646394881 388350260 /nfs/dbraw/zinc/35/02/60/388350260.db2.gz ZLOJDIYRKPAJDX-SNVBAGLBSA-N 2 0 219.288 0.748 20 0 BCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(N)=[NH2+])C1 ZINC000303265083 388350354 /nfs/dbraw/zinc/35/03/54/388350354.db2.gz TXLYGQJTLYSQEW-NXEZZACHSA-N 2 0 212.341 0.837 20 0 BCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(N)=[NH2+])C1 ZINC000303265081 388350571 /nfs/dbraw/zinc/35/05/71/388350571.db2.gz TXLYGQJTLYSQEW-AOOOYVTPSA-N 2 0 212.341 0.837 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000646664041 388406978 /nfs/dbraw/zinc/40/69/78/388406978.db2.gz KGTVQHAQJCDOKB-NNYUYHANSA-N 2 0 239.363 0.489 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000646417778 388354345 /nfs/dbraw/zinc/35/43/45/388354345.db2.gz DSWVHMXNHDZWEW-QWRGUYRKSA-N 2 0 239.363 0.442 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000516580230 388356450 /nfs/dbraw/zinc/35/64/50/388356450.db2.gz DMWWAQJGRGYSOX-MXWKQRLJSA-N 2 0 227.352 0.713 20 0 BCADRP CC1(NC(=O)CC[NH2+]C2CC2)CC[NH2+]CC1 ZINC000572616186 388360818 /nfs/dbraw/zinc/36/08/18/388360818.db2.gz QLRHPOCCAUZONI-UHFFFAOYSA-N 2 0 225.336 0.387 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000646450208 388361105 /nfs/dbraw/zinc/36/11/05/388361105.db2.gz LKYQMKYBUXNTFE-NSHDSACASA-N 2 0 237.347 0.291 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000646657705 388405200 /nfs/dbraw/zinc/40/52/00/388405200.db2.gz POZNQIHPKRHCTG-AXFHLTTASA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H](C[NH3+])NCc1cccc2c1OCO2 ZINC000235139030 388365271 /nfs/dbraw/zinc/36/52/71/388365271.db2.gz DWMITKWGLILYKN-QMMMGPOBSA-N 2 0 208.261 0.852 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000646484490 388365612 /nfs/dbraw/zinc/36/56/12/388365612.db2.gz QBHXXNOCJMNTEQ-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000316148298 388405510 /nfs/dbraw/zinc/40/55/10/388405510.db2.gz JIHDYACTXZGIPE-QJPTWQEYSA-N 2 0 212.337 0.864 20 0 BCADRP C[C@@H](NC(=O)C[NH2+]CC1CC1)[C@H]1CCC[NH2+]C1 ZINC000572760107 388373226 /nfs/dbraw/zinc/37/32/26/388373226.db2.gz GMUCBBDJENFHJR-PWSUYJOCSA-N 2 0 239.363 0.490 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000646533964 388377361 /nfs/dbraw/zinc/37/73/61/388377361.db2.gz ZDNLMZPNUYLUET-MNOVXSKESA-N 2 0 239.363 0.395 20 0 BCADRP [NH3+]CCN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000572842547 388380286 /nfs/dbraw/zinc/38/02/86/388380286.db2.gz HQLMRUIVGQVRRA-RYUDHWBXSA-N 3 0 227.352 0.163 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(CC2(C[NH3+])CC2)C1 ZINC000572879709 388383323 /nfs/dbraw/zinc/38/33/23/388383323.db2.gz SWSNHQNGLDTCHI-GHMZBOCLSA-N 2 0 211.353 0.785 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000236800615 388383462 /nfs/dbraw/zinc/38/34/62/388383462.db2.gz ODEKHSAWPYELHO-LLVKDONJSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000572869597 388383527 /nfs/dbraw/zinc/38/35/27/388383527.db2.gz DLSCMVDFETWILC-LLVKDONJSA-N 2 0 225.336 0.313 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NCC[NH2+]CCC ZINC000236797011 388383579 /nfs/dbraw/zinc/38/35/79/388383579.db2.gz YHSCDSSOZCRSID-JTQLQIEISA-N 2 0 215.341 0.620 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@H](C)C[NH2+]C ZINC000236808735 388383921 /nfs/dbraw/zinc/38/39/21/388383921.db2.gz WKNPBLWPMSTMNS-ZJUUUORDSA-N 2 0 215.341 0.476 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000646568052 388384500 /nfs/dbraw/zinc/38/45/00/388384500.db2.gz VTFXZEDQKDVWST-LLVKDONJSA-N 2 0 225.336 0.420 20 0 BCADRP CC[N@H+](CCNC(=O)CC[NH3+])C(C)C ZINC000236857615 388385023 /nfs/dbraw/zinc/38/50/23/388385023.db2.gz GNTQLZWGGSWBBC-UHFFFAOYSA-N 2 0 201.314 0.182 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000236906972 388385606 /nfs/dbraw/zinc/38/56/06/388385606.db2.gz LUXVWMSKEUONJL-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000646664744 388407053 /nfs/dbraw/zinc/40/70/53/388407053.db2.gz XQSUURYYQIHRAG-UDNWOFFPSA-N 2 0 225.336 0.371 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC000237115340 388389592 /nfs/dbraw/zinc/38/95/92/388389592.db2.gz XOOXYIOBOXZRLR-JTQLQIEISA-N 2 0 215.341 0.298 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000237137965 388391082 /nfs/dbraw/zinc/39/10/82/388391082.db2.gz QCIIFGGHPCJRPU-JQWIXIFHSA-N 2 0 235.331 0.658 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237153266 388391088 /nfs/dbraw/zinc/39/10/88/388391088.db2.gz LDIDKLGJASPCAA-GARJFASQSA-N 2 0 227.352 0.476 20 0 BCADRP Cc1c[nH+]ccc1N1CCCO[C@H](C[NH3+])C1 ZINC000313357941 388391992 /nfs/dbraw/zinc/39/19/92/388391992.db2.gz PNCFLRJWFDEROU-LLVKDONJSA-N 2 0 221.304 0.944 20 0 BCADRP C[N@H+](CCOCC[NH3+])CC[C@H]1CCCO1 ZINC000300767587 388392330 /nfs/dbraw/zinc/39/23/30/388392330.db2.gz AAAOUFRSKBAMFJ-LLVKDONJSA-N 2 0 216.325 0.463 20 0 BCADRP C[C@@H](CC(=O)N1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000237333740 388392744 /nfs/dbraw/zinc/39/27/44/388392744.db2.gz CVCKSFHOMRYDCV-NSHDSACASA-N 2 0 239.363 0.444 20 0 BCADRP [NH3+]CC1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000646609098 388394153 /nfs/dbraw/zinc/39/41/53/388394153.db2.gz MOLMOKGOCRYYTD-UHFFFAOYSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237356567 388394283 /nfs/dbraw/zinc/39/42/83/388394283.db2.gz MMMSVLAAAWOXST-ONGXEEELSA-N 2 0 213.325 0.087 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000646609128 388394357 /nfs/dbraw/zinc/39/43/57/388394357.db2.gz PYWDQVUTBLBXAT-KOLCDFICSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000646612438 388394847 /nfs/dbraw/zinc/39/48/47/388394847.db2.gz RKZDEKLJQGLFRQ-LLVKDONJSA-N 2 0 227.352 0.476 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NCC2CC[NH2+]CC2)o1 ZINC000646615535 388395955 /nfs/dbraw/zinc/39/59/55/388395955.db2.gz UFFHBFUTDZYRJQ-UHFFFAOYSA-N 2 0 237.303 0.468 20 0 BCADRP CN(C(=O)CC[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000646629491 388398038 /nfs/dbraw/zinc/39/80/38/388398038.db2.gz PYOMWPWHMPSRMX-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000238000480 388400508 /nfs/dbraw/zinc/40/05/08/388400508.db2.gz LNDHMYNZXRPDNJ-GARJFASQSA-N 2 0 225.336 0.372 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000520579455 256676003 /nfs/dbraw/zinc/67/60/03/256676003.db2.gz WHWAZAOJVBOIDO-NEPJUHHUSA-N 2 0 227.352 0.701 20 0 BCADRP C[C@H](NC(=O)CC1([NH3+])CCC1)[C@H]1CCC[NH2+]C1 ZINC000646664080 388406895 /nfs/dbraw/zinc/40/68/95/388406895.db2.gz PIJMYJWGKWBLMK-QWRGUYRKSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH+](C)CC1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000335021121 388448539 /nfs/dbraw/zinc/44/85/39/388448539.db2.gz BTDBIKQLXWYXRZ-UHFFFAOYSA-N 2 0 239.363 0.396 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]C ZINC000646742805 388451586 /nfs/dbraw/zinc/45/15/86/388451586.db2.gz FGPSTRKRWINXTR-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCN(C)C[C@@H]1C ZINC000335663458 388454173 /nfs/dbraw/zinc/45/41/73/388454173.db2.gz PYCQIEIAPXJIRZ-UWVGGRQHSA-N 2 0 225.336 0.289 20 0 BCADRP C[C@H]([NH3+])CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000194927856 388456273 /nfs/dbraw/zinc/45/62/73/388456273.db2.gz YMNBAMDWWRTPKX-OFLUOSHYSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H](NC(=O)CC[NH2+]C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000515433696 256745524 /nfs/dbraw/zinc/74/55/24/256745524.db2.gz YIQNAJMKECQSKB-GHMZBOCLSA-N 2 0 239.363 0.633 20 0 BCADRP C[N@H+](C[C@H](O)CN1CCC[C@@](C)(O)C1)C1CC1 ZINC000336716928 388467917 /nfs/dbraw/zinc/46/79/17/388467917.db2.gz QDRIOYFHFKNRGM-QWHCGFSZSA-N 2 0 242.363 0.288 20 0 BCADRP CN(CCOc1ccccc1)C[C@@H](O)C[NH3+] ZINC000336722134 388468894 /nfs/dbraw/zinc/46/88/94/388468894.db2.gz APAUUPBVRWSJMD-NSHDSACASA-N 2 0 224.304 0.317 20 0 BCADRP CN(CCOc1ccccc1)C[C@H](O)C[NH3+] ZINC000336722127 388468910 /nfs/dbraw/zinc/46/89/10/388468910.db2.gz APAUUPBVRWSJMD-LLVKDONJSA-N 2 0 224.304 0.317 20 0 BCADRP CC1CC[NH+](CC(=O)NCCC[NH+](C)C)CC1 ZINC000177569599 388469188 /nfs/dbraw/zinc/46/91/88/388469188.db2.gz KPCVHPIUGSUDBL-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CC[C@@H](CO)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000084215781 256759142 /nfs/dbraw/zinc/75/91/42/256759142.db2.gz WNDHGJBZHXQZDZ-VWYCJHECSA-N 2 0 200.326 0.864 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000516059238 256762093 /nfs/dbraw/zinc/76/20/93/256762093.db2.gz CYFRGMMPIABYFF-WISYIIOYSA-N 2 0 239.363 0.700 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000646672795 388411553 /nfs/dbraw/zinc/41/15/53/388411553.db2.gz ONBSIXMGTUPGRV-ZJUUUORDSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000646672853 388411726 /nfs/dbraw/zinc/41/17/26/388411726.db2.gz XBIGKSHDHOZWRR-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000646672854 388411757 /nfs/dbraw/zinc/41/17/57/388411757.db2.gz XBIGKSHDHOZWRR-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000646672000 388411846 /nfs/dbraw/zinc/41/18/46/388411846.db2.gz PQVZMJCQSHFWQP-WDEREUQCSA-N 2 0 241.379 0.818 20 0 BCADRP CC1CC[NH+](CC(=O)NCC[NH2+]C2CC2)CC1 ZINC000646687299 388416438 /nfs/dbraw/zinc/41/64/38/388416438.db2.gz XJHUPHSVHMYQHS-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000646688519 388417015 /nfs/dbraw/zinc/41/70/15/388417015.db2.gz MJRXFNRHXRKATE-ZYHUDNBSSA-N 2 0 241.379 0.946 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000646713383 388426509 /nfs/dbraw/zinc/42/65/09/388426509.db2.gz IYSWHRLAESJPNR-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)C(C)(C)[NH3+])C1 ZINC000514792223 256720253 /nfs/dbraw/zinc/72/02/53/256720253.db2.gz IZCQRABCOWETDS-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000573205489 388431528 /nfs/dbraw/zinc/43/15/28/388431528.db2.gz VEBHPKIWFDTWSL-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H](NC(=O)[C@H](C)[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000649270235 388480128 /nfs/dbraw/zinc/48/01/28/388480128.db2.gz KPCSAAQVPYWGFM-OUAUKWLOSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C[NH2+]CC1CC1 ZINC000517139623 388539988 /nfs/dbraw/zinc/53/99/88/388539988.db2.gz LFZZRBMTSOZEKZ-ONGXEEELSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000517168145 388540755 /nfs/dbraw/zinc/54/07/55/388540755.db2.gz ONVDCYQYBMJPMH-YTWAJWBKSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000517168143 388541197 /nfs/dbraw/zinc/54/11/97/388541197.db2.gz ONVDCYQYBMJPMH-NAKRPEOUSA-N 2 0 225.336 0.323 20 0 BCADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCN(C2CC2)CC1 ZINC000649287077 388543062 /nfs/dbraw/zinc/54/30/62/388543062.db2.gz ZUBLEASGLHZESM-JLLWLGSASA-N 2 0 235.331 0.043 20 0 BCADRP C[C@H](NC(=O)C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000517234597 388543197 /nfs/dbraw/zinc/54/31/97/388543197.db2.gz MFMWPOSKZPRQFJ-CMPLNLGQSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000517234898 388543796 /nfs/dbraw/zinc/54/37/96/388543796.db2.gz UEYKREYRYOUBJD-GMXVVIOVSA-N 2 0 237.347 0.183 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000517237601 388544504 /nfs/dbraw/zinc/54/45/04/388544504.db2.gz LUBVXIOENXRJSC-BBBLOLIVSA-N 2 0 215.341 0.602 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)NCCC[C@H]1CCC[NH2+]1 ZINC000517235245 388544599 /nfs/dbraw/zinc/54/45/99/388544599.db2.gz JWWQAKWKOSOTCI-NEPJUHHUSA-N 2 0 239.363 0.777 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1c[nH+]ccc1N ZINC000517237946 388544712 /nfs/dbraw/zinc/54/47/12/388544712.db2.gz VDGWELUVSFGDIU-SFYZADRCSA-N 2 0 222.292 0.350 20 0 BCADRP C[NH2+]CCCN1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000378678878 388482296 /nfs/dbraw/zinc/48/22/96/388482296.db2.gz SPWCOJDLHKBBBZ-UWVGGRQHSA-N 2 0 203.305 0.228 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH3+] ZINC000649273240 388483924 /nfs/dbraw/zinc/48/39/24/388483924.db2.gz ZMNXGIVKIPVSDY-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP C[NH+](C)CCCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000340112918 388487274 /nfs/dbraw/zinc/48/72/74/388487274.db2.gz VOPHNBHIAJFYFB-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000646769898 388493347 /nfs/dbraw/zinc/49/33/47/388493347.db2.gz JQQYMYMGFSBANL-MNOVXSKESA-N 2 0 239.363 0.844 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649276338 388496313 /nfs/dbraw/zinc/49/63/13/388496313.db2.gz ODIZVAVQFCDWJA-SECBINFHSA-N 2 0 249.305 0.299 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649276339 388496643 /nfs/dbraw/zinc/49/66/43/388496643.db2.gz ODIZVAVQFCDWJA-VIFPVBQESA-N 2 0 249.305 0.299 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](OC)C1CC1 ZINC000356335033 388548986 /nfs/dbraw/zinc/54/89/86/388548986.db2.gz FPGJFWSRGLZHAH-NWDGAFQWSA-N 2 0 230.352 0.755 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CC1CC[NH2+]CC1 ZINC000646777291 388498143 /nfs/dbraw/zinc/49/81/43/388498143.db2.gz QCCBZRDRKGPSFA-LLVKDONJSA-N 2 0 227.352 0.476 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649277219 388499855 /nfs/dbraw/zinc/49/98/55/388499855.db2.gz MXDOLKMLPOUOQG-NNYUYHANSA-N 2 0 237.347 0.052 20 0 BCADRP CN(CCC[NH3+])C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000646783062 388500994 /nfs/dbraw/zinc/50/09/94/388500994.db2.gz LKQASMBBVZLTJK-YOGCLGLASA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000646784520 388501382 /nfs/dbraw/zinc/50/13/82/388501382.db2.gz LDALPYOEVWNZKK-QWRGUYRKSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H](CC(=O)N(C)CCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000646783275 388501519 /nfs/dbraw/zinc/50/15/19/388501519.db2.gz ZHCCHGZKKCXQNV-RYUDHWBXSA-N 2 0 241.379 0.819 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000646783872 388502011 /nfs/dbraw/zinc/50/20/11/388502011.db2.gz MGNLNFRUXVJUST-SNVBAGLBSA-N 2 0 225.336 0.183 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649278071 388502672 /nfs/dbraw/zinc/50/26/72/388502672.db2.gz JLXMZIRTCSHEHD-BBBLOLIVSA-N 2 0 225.336 0.193 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000646789404 388505343 /nfs/dbraw/zinc/50/53/43/388505343.db2.gz LEQQMIMDEQFNQN-SNVBAGLBSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]CCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000646789403 388505576 /nfs/dbraw/zinc/50/55/76/388505576.db2.gz KPMZCHVODNMGBO-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000576821496 388506944 /nfs/dbraw/zinc/50/69/44/388506944.db2.gz OLSCSSDYVWQUSO-XWLWVQCSSA-N 2 0 242.367 0.409 20 0 BCADRP Cc1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)nc1 ZINC000344552290 388507876 /nfs/dbraw/zinc/50/78/76/388507876.db2.gz MNZHISZZNCAMBS-UHFFFAOYSA-N 2 0 249.358 0.936 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](COC)C1CC1 ZINC000397968758 388513185 /nfs/dbraw/zinc/51/31/85/388513185.db2.gz SGRFIWIYLUOFDO-ONGXEEELSA-N 2 0 200.326 0.857 20 0 BCADRP COC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)C1CC1 ZINC000397972558 388513821 /nfs/dbraw/zinc/51/38/21/388513821.db2.gz ULTRBKSYIVBLFH-GHMZBOCLSA-N 2 0 200.326 0.984 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CC[NH+](C)C1 ZINC000548113438 388513962 /nfs/dbraw/zinc/51/39/62/388513962.db2.gz YSKYUPPQRRASLD-NSHDSACASA-N 2 0 239.363 0.491 20 0 BCADRP CC[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C1CCC1 ZINC000516759335 388516007 /nfs/dbraw/zinc/51/60/07/388516007.db2.gz GHTFGUPDXNSPGP-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP Cc1ncc(C[NH2+]CCc2cn(C)cn2)n1C ZINC000516787407 388518303 /nfs/dbraw/zinc/51/83/03/388518303.db2.gz VLGBFINHTUZZSG-UHFFFAOYSA-N 2 0 233.319 0.794 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCn1ccnn1 ZINC000346853841 388520407 /nfs/dbraw/zinc/52/04/07/388520407.db2.gz BECLACMLCCJGMF-RYUDHWBXSA-N 2 0 237.351 0.598 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C3([NH3+])CCC3)C[C@@H]21 ZINC000516866311 388521095 /nfs/dbraw/zinc/52/10/95/388521095.db2.gz MYVGWXVOCDJXFC-OUAUKWLOSA-N 2 0 237.347 0.454 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@]1(C)CCC[NH2+]1)C1CC1 ZINC000516929467 388526061 /nfs/dbraw/zinc/52/60/61/388526061.db2.gz AIVFRRDLQHCTBQ-YPMHNXCESA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000261543934 135184773 /nfs/dbraw/zinc/18/47/73/135184773.db2.gz IIEKDBDDRBKKMB-DTWKUNHWSA-N 2 0 215.341 0.413 20 0 BCADRP CO[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000516970671 388529922 /nfs/dbraw/zinc/52/99/22/388529922.db2.gz YTZFJYGFOXSVSS-RWMBFGLXSA-N 2 0 241.379 0.424 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649303760 388587487 /nfs/dbraw/zinc/58/74/87/388587487.db2.gz AOSKYXYHALKBJR-QCNOEVLYSA-N 2 0 239.363 0.583 20 0 BCADRP COC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000245593538 388592647 /nfs/dbraw/zinc/59/26/47/388592647.db2.gz MEHACJLCGCGDMK-IJLUTSLNSA-N 2 0 230.352 0.456 20 0 BCADRP COC[C@H](O)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000245593535 388592968 /nfs/dbraw/zinc/59/29/68/388592968.db2.gz MEHACJLCGCGDMK-GRYCIOLGSA-N 2 0 230.352 0.456 20 0 BCADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000649316900 388607172 /nfs/dbraw/zinc/60/71/72/388607172.db2.gz YAXSTOQLAZETME-WUHRBBMRSA-N 2 0 249.358 0.149 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000646817591 388552910 /nfs/dbraw/zinc/55/29/10/388552910.db2.gz NRJWRVVKRTXXTI-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP CC1(C(=O)Nc2ccc3nccn3c2)C[NH2+]C1 ZINC000517560797 388553312 /nfs/dbraw/zinc/55/33/12/388553312.db2.gz ZEIGUZKFFDMDBR-UHFFFAOYSA-N 2 0 230.271 0.882 20 0 BCADRP C[NH+](C)C1(CNc2cc[nH+]cc2C(N)=O)CC1 ZINC000521009057 388560090 /nfs/dbraw/zinc/56/00/90/388560090.db2.gz LNRBFUBVAYYVLX-UHFFFAOYSA-N 2 0 234.303 0.109 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000521042515 388560396 /nfs/dbraw/zinc/56/03/96/388560396.db2.gz IUXOPBHSKTUFJE-GFCCVEGCSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCCC[NH+]1CCCCCC1 ZINC000521068229 388561730 /nfs/dbraw/zinc/56/17/30/388561730.db2.gz QPFHHZLSKAKIQP-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP COC(=O)[C@@H](C)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368312485 388568392 /nfs/dbraw/zinc/56/83/92/388568392.db2.gz MXBJRGRSMFBBRP-WCQYABFASA-N 2 0 240.347 0.823 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000581129985 388571575 /nfs/dbraw/zinc/57/15/75/388571575.db2.gz FIXBNQUATWMTLO-VWYCJHECSA-N 2 0 225.336 0.052 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217810328 388573314 /nfs/dbraw/zinc/57/33/14/388573314.db2.gz MBDZZULCUKOODP-VWYCJHECSA-N 2 0 225.336 0.467 20 0 BCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649298140 388576370 /nfs/dbraw/zinc/57/63/70/388576370.db2.gz UGVDIRVKIBUZCH-XEZLXBQYSA-N 2 0 249.358 0.052 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)C(N)=O ZINC000252815599 388580382 /nfs/dbraw/zinc/58/03/82/388580382.db2.gz JVIYPXAKYUGWNS-VHSXEESVSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000261594900 135235209 /nfs/dbraw/zinc/23/52/09/135235209.db2.gz XTLQXOXVLYQJPJ-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000521998620 388673533 /nfs/dbraw/zinc/67/35/33/388673533.db2.gz NXGIGUHUXPGAON-GMTAPVOTSA-N 2 0 225.336 0.243 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000521999178 388673708 /nfs/dbraw/zinc/67/37/08/388673708.db2.gz KVHPEEGWCGQHIE-BDAKNGLRSA-N 2 0 216.329 0.021 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000248485911 388682188 /nfs/dbraw/zinc/68/21/88/388682188.db2.gz KYOGTXDEKNMLLG-UWVGGRQHSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000521628495 388620000 /nfs/dbraw/zinc/62/00/00/388620000.db2.gz JILMILMGRUMXRS-JCIQBVFBSA-N 2 0 239.363 0.556 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000521628501 388620066 /nfs/dbraw/zinc/62/00/66/388620066.db2.gz JILMILMGRUMXRS-OOCWMUITSA-N 2 0 239.363 0.556 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646856980 388625950 /nfs/dbraw/zinc/62/59/50/388625950.db2.gz UROTXZJKQYRCSC-SCVCMEIPSA-N 2 0 243.351 0.079 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])N[C@H]1CC[NH2+]C12CCC2 ZINC000530215267 388629117 /nfs/dbraw/zinc/62/91/17/388629117.db2.gz GEMCMHPJBDTRCF-AXFHLTTASA-N 2 0 211.353 0.986 20 0 BCADRP [NH3+][C@@H]1C[C@H](NC[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC000530220053 388632004 /nfs/dbraw/zinc/63/20/04/388632004.db2.gz BIELMBQBTMLWTI-HONMWMINSA-N 2 0 247.342 0.709 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1COCC[NH2+]1 ZINC000530220691 388632583 /nfs/dbraw/zinc/63/25/83/388632583.db2.gz CMYZHDINFYATQP-QJPTWQEYSA-N 2 0 227.352 0.224 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)CCC[NH+](C)C ZINC000538316339 388684565 /nfs/dbraw/zinc/68/45/65/388684565.db2.gz UNAPCORGZZOPKQ-UHFFFAOYSA-N 2 0 229.368 0.738 20 0 BCADRP CC[C@H](NC[C@@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000530227751 388635698 /nfs/dbraw/zinc/63/56/98/388635698.db2.gz ZSIQFJPHDFOTSX-WOPDTQHZSA-N 2 0 227.352 0.095 20 0 BCADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(CCOC)CC1 ZINC000530225957 388635794 /nfs/dbraw/zinc/63/57/94/388635794.db2.gz ZBECKBIHMYYAFG-ZDUSSCGKSA-N 2 0 244.379 0.705 20 0 BCADRP C[C@@H]([NH3+])CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240790 388638144 /nfs/dbraw/zinc/63/81/44/388638144.db2.gz NVNYPRPDQIVRCI-DGCLKSJQSA-N 2 0 241.379 0.424 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000521876952 388638466 /nfs/dbraw/zinc/63/84/66/388638466.db2.gz LKEHTVMRNSYUIF-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@H]1COCCN1 ZINC000530247403 388639543 /nfs/dbraw/zinc/63/95/43/388639543.db2.gz RTXFCRZYWAGGRK-WOPDTQHZSA-N 2 0 227.352 0.095 20 0 BCADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@H]1COCCN1 ZINC000530247402 388639743 /nfs/dbraw/zinc/63/97/43/388639743.db2.gz RTXFCRZYWAGGRK-UTUOFQBUSA-N 2 0 227.352 0.095 20 0 BCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000522248418 388733995 /nfs/dbraw/zinc/73/39/95/388733995.db2.gz GIIPHDBRUGXHTN-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[N@@H+](Cc1ccnc2ccccc12)C[C@H](O)C[NH3+] ZINC000310825486 388742972 /nfs/dbraw/zinc/74/29/72/388742972.db2.gz KPDQZVPYRAYPPF-GFCCVEGCSA-N 2 0 245.326 0.986 20 0 BCADRP C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227455414 388751094 /nfs/dbraw/zinc/75/10/94/388751094.db2.gz MHILTEGARHRASF-GUBZILKMSA-N 2 0 211.309 0.029 20 0 BCADRP C[C@H](CO)[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H](C)O ZINC000248865746 388696690 /nfs/dbraw/zinc/69/66/90/388696690.db2.gz AXHHHVPRXONZHJ-FRRDWIJNSA-N 2 0 244.379 0.534 20 0 BCADRP C[C@H](CO)[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H](C)O ZINC000248865743 388696712 /nfs/dbraw/zinc/69/67/12/388696712.db2.gz AXHHHVPRXONZHJ-AGIUHOORSA-N 2 0 244.379 0.534 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC000522146141 388705644 /nfs/dbraw/zinc/70/56/44/388705644.db2.gz MEVJHKCEJNQTRE-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC000127852115 388732947 /nfs/dbraw/zinc/73/29/47/388732947.db2.gz PBJHKBRSPOEEHF-AAEUAGOBSA-N 2 0 236.363 0.892 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC000127851907 388733002 /nfs/dbraw/zinc/73/30/02/388733002.db2.gz PBJHKBRSPOEEHF-YPMHNXCESA-N 2 0 236.363 0.892 20 0 BCADRP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1C ZINC000540022471 388793099 /nfs/dbraw/zinc/79/30/99/388793099.db2.gz PJNRKYCVCVNKRH-GRYCIOLGSA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000229601045 388796870 /nfs/dbraw/zinc/79/68/70/388796870.db2.gz NGZLZRVQBVTSHD-DCAQKATOSA-N 2 0 200.326 0.687 20 0 BCADRP COCCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252713683 388774779 /nfs/dbraw/zinc/77/47/79/388774779.db2.gz PYCISRSOMRCECU-GHMZBOCLSA-N 2 0 200.326 0.953 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000553794141 388789897 /nfs/dbraw/zinc/78/98/97/388789897.db2.gz FYNFAMBDNZTDSR-UWVGGRQHSA-N 2 0 213.325 0.004 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000092956710 388821920 /nfs/dbraw/zinc/82/19/20/388821920.db2.gz MRPQORNIVUZYEX-QJPTWQEYSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000129372811 388835685 /nfs/dbraw/zinc/83/56/85/388835685.db2.gz OGAXMHBRBTWGMZ-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000564739538 388885313 /nfs/dbraw/zinc/88/53/13/388885313.db2.gz IWQTZQZQRODBQV-JFGNBEQYSA-N 2 0 227.352 0.487 20 0 BCADRP [NH3+][C@@H](C(=O)N1CCC([NH3+])CC1)C1CCC1 ZINC000564796371 388889524 /nfs/dbraw/zinc/88/95/24/388889524.db2.gz FQTXXYTXDVIFPE-SNVBAGLBSA-N 2 0 211.309 0.064 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000564840874 388892846 /nfs/dbraw/zinc/89/28/46/388892846.db2.gz ZFXDOLALXOMBRA-XWLWVQCSSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)[C@H](C(=O)NC1CC[NH2+]CC1)[C@@H](C)[NH3+] ZINC000564939337 388899639 /nfs/dbraw/zinc/89/96/39/388899639.db2.gz HPWGSTLGJZTQGG-KOLCDFICSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NCC[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000564942363 388899795 /nfs/dbraw/zinc/89/97/95/388899795.db2.gz NVTIOMWIDBTMIJ-TUAOUCFPSA-N 2 0 239.363 0.490 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC(C[NH2+]C)CC1 ZINC000564944325 388900595 /nfs/dbraw/zinc/90/05/95/388900595.db2.gz MWYGYZPAZQNPBZ-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000564955388 388901511 /nfs/dbraw/zinc/90/15/11/388901511.db2.gz YUQUSJFBTRAZQR-LPEHRKFASA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000564957292 388901628 /nfs/dbraw/zinc/90/16/28/388901628.db2.gz LJAWFIHXSJFUFO-JQWIXIFHSA-N 2 0 235.331 0.930 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564985212 388905471 /nfs/dbraw/zinc/90/54/71/388905471.db2.gz FVLFXZMYZWOPGT-GFCCVEGCSA-N 2 0 227.352 0.037 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000565214455 388926950 /nfs/dbraw/zinc/92/69/50/388926950.db2.gz PDMQNTAZUBFWHF-INTQDDNPSA-N 2 0 225.336 0.099 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000262464840 388935428 /nfs/dbraw/zinc/93/54/28/388935428.db2.gz XRDMIBPVUHZWSH-GFCCVEGCSA-N 2 0 249.358 0.829 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(Cc2nc(C3CC3)nn2C)C1 ZINC000564987697 388905243 /nfs/dbraw/zinc/90/52/43/388905243.db2.gz HFJFZHUIAQMVGG-GXSJLCMTSA-N 2 0 249.362 0.862 20 0 BCADRP C[NH2+][C@@H]1CCCN(CCN2CCO[C@@H](C)C2)C1 ZINC000564988103 388905348 /nfs/dbraw/zinc/90/53/48/388905348.db2.gz IAANUPWGRJYPJD-QWHCGFSZSA-N 2 0 241.379 0.391 20 0 BCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@H]3CC[NH2+]3)CC[C@@H]21 ZINC000565361119 388938913 /nfs/dbraw/zinc/93/89/13/388938913.db2.gz GRDFLUKDOXWYNL-TUAOUCFPSA-N 2 0 237.347 0.291 20 0 BCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@H]3CC[NH2+]3)CC[C@H]21 ZINC000565361117 388939534 /nfs/dbraw/zinc/93/95/34/388939534.db2.gz GRDFLUKDOXWYNL-QJPTWQEYSA-N 2 0 237.347 0.291 20 0 BCADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COCC)C1 ZINC000565416614 388943698 /nfs/dbraw/zinc/94/36/98/388943698.db2.gz FKLPHISZRFHDKZ-QWHCGFSZSA-N 2 0 244.379 0.705 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCN1CCO[C@H](C)C1 ZINC000566069135 388985595 /nfs/dbraw/zinc/98/55/95/388985595.db2.gz WRIUHTPNRSHROP-XQQFMLRXSA-N 2 0 241.379 0.376 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000566067895 388985584 /nfs/dbraw/zinc/98/55/84/388985584.db2.gz HPUSULXOBWGAAR-ATZCPNFKSA-N 2 0 225.336 0.371 20 0 BCADRP CCCC[C@H](CC)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000566088054 388985723 /nfs/dbraw/zinc/98/57/23/388985723.db2.gz SFPDBUBYBHQMBZ-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccnc(C[NH3+])c1 ZINC000566099213 388987077 /nfs/dbraw/zinc/98/70/77/388987077.db2.gz YDNUZNXGAUIFNZ-BXKDBHETSA-N 2 0 248.330 0.268 20 0 BCADRP C[C@@H]([NH2+]C[C@H](C)O)C(C)(C)C[NH+](C)C ZINC000566117061 388989034 /nfs/dbraw/zinc/98/90/34/388989034.db2.gz RYRCEPVKACOUDX-VHSXEESVSA-N 2 0 202.342 0.933 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@@H](C[NH3+])C2CC2)ccn1 ZINC000565827884 388971473 /nfs/dbraw/zinc/97/14/73/388971473.db2.gz GFKKIBDWCBXHDP-NSHDSACASA-N 2 0 234.303 0.007 20 0 BCADRP COC[C@]1(CNCC[NH2+]C(C)(C)C)CCC[NH2+]1 ZINC000414957138 533235853 /nfs/dbraw/zinc/23/58/53/533235853.db2.gz PTGMORGLRIDMGG-CYBMUJFWSA-N 2 0 243.395 0.733 20 0 BCADRP C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC000259245521 533362169 /nfs/dbraw/zinc/36/21/69/533362169.db2.gz LXOLXEONCZUKFL-ZDUSSCGKSA-N 2 0 239.363 0.004 20 0 BCADRP C[C@@H]([NH2+]CCCN1CCOC1=O)[C@H]1CCC[NH2+]1 ZINC000497070187 533383492 /nfs/dbraw/zinc/38/34/92/533383492.db2.gz HQAIEJJCDUKBEZ-GHMZBOCLSA-N 2 0 241.335 0.559 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1CCCC[NH2+]1 ZINC000494703049 533536952 /nfs/dbraw/zinc/53/69/52/533536952.db2.gz MPEMFELXFQQALF-WDEREUQCSA-N 2 0 227.352 0.762 20 0 BCADRP c1cc(N[C@@H]2CC[NH2+]C2)ncc1N1CC[NH2+]CC1 ZINC000333821037 132245685 /nfs/dbraw/zinc/24/56/85/132245685.db2.gz KWETXNYJGCWRNN-LLVKDONJSA-N 2 0 247.346 0.265 20 0 BCADRP CC[NH+]1CCC(CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000044526717 322840572 /nfs/dbraw/zinc/84/05/72/322840572.db2.gz JHYHIZTUEGWBTD-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251834215 133647737 /nfs/dbraw/zinc/64/77/37/133647737.db2.gz NQBDEPUFWOLEAX-WOPDTQHZSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000343435234 133680869 /nfs/dbraw/zinc/68/08/69/133680869.db2.gz BJIZOZFQYQFSAK-KXNHARMFSA-N 2 0 239.363 0.570 20 0 BCADRP COC1CC([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000347352557 133831347 /nfs/dbraw/zinc/83/13/47/133831347.db2.gz DMTHTLQYABGBOM-UHFFFAOYSA-N 2 0 242.363 0.458 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000335406472 133857427 /nfs/dbraw/zinc/85/74/27/133857427.db2.gz MZKXSHIBWNMYPY-JTQLQIEISA-N 2 0 223.320 0.174 20 0 BCADRP [NH3+]CC1(CC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000335489974 133864756 /nfs/dbraw/zinc/86/47/56/133864756.db2.gz ZELMZWMIQRXHEZ-MNOVXSKESA-N 2 0 237.347 0.468 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C12CCC[NH+]1CCC2 ZINC000335506654 133869969 /nfs/dbraw/zinc/86/99/69/133869969.db2.gz CSWYXZUMMSOKHI-GHMZBOCLSA-N 2 0 237.347 0.563 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000335529078 133876440 /nfs/dbraw/zinc/87/64/40/133876440.db2.gz DQLYHMAJLDIDQB-PWSUYJOCSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000335923352 134007846 /nfs/dbraw/zinc/00/78/46/134007846.db2.gz OIOGWAJLMIDMJF-SKDRFNHKSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000335963671 134027670 /nfs/dbraw/zinc/02/76/70/134027670.db2.gz VFMWCSVIZIGRMZ-MNOVXSKESA-N 2 0 239.363 0.844 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000335963670 134027881 /nfs/dbraw/zinc/02/78/81/134027881.db2.gz VFMWCSVIZIGRMZ-GHMZBOCLSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000335990080 134039646 /nfs/dbraw/zinc/03/96/46/134039646.db2.gz HCWLXDVFWAQAAK-NOZJJQNGSA-N 2 0 245.326 0.852 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335990377 134040091 /nfs/dbraw/zinc/04/00/91/134040091.db2.gz AUVQFBAVPWSSRQ-AAEUAGOBSA-N 2 0 239.363 0.716 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000336004073 134048491 /nfs/dbraw/zinc/04/84/91/134048491.db2.gz UIPAOEWCPNIXMI-RYUDHWBXSA-N 2 0 239.363 0.572 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336031847 134058717 /nfs/dbraw/zinc/05/87/17/134058717.db2.gz YFNVDXFOZBYBHK-WCQYABFASA-N 2 0 237.347 0.341 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NC2(C[NH3+])CCCC2)CC[NH2+]1 ZINC000336083568 134075843 /nfs/dbraw/zinc/07/58/43/134075843.db2.gz FRUZNBQTOOVLLC-QWRGUYRKSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(C)(C)[NH3+] ZINC000336127629 134093357 /nfs/dbraw/zinc/09/33/57/134093357.db2.gz GAVWISNBIFVIQU-WCBMZHEXSA-N 2 0 225.336 0.323 20 0 BCADRP C[NH+](C)CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000167944651 134154925 /nfs/dbraw/zinc/15/49/25/134154925.db2.gz UWQHVOXUOICVDI-JTQLQIEISA-N 2 0 213.325 0.278 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C[NH+](C)C ZINC000167939793 134154943 /nfs/dbraw/zinc/15/49/43/134154943.db2.gz IAPKJMJHTJUEHG-SECBINFHSA-N 2 0 201.314 0.038 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085012201 134220895 /nfs/dbraw/zinc/22/08/95/134220895.db2.gz GTMBDMZHFQKCBL-VWYCJHECSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000168987977 134248898 /nfs/dbraw/zinc/24/88/98/134248898.db2.gz NOGCBHGGZVZUMA-UWVGGRQHSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@H]1C[NH+](CC2CC[NH2+]CC2)C[C@H](C)N1 ZINC000169110987 134249449 /nfs/dbraw/zinc/24/94/49/134249449.db2.gz ZHTOUSYTAYNHJR-QWRGUYRKSA-N 2 0 211.353 0.668 20 0 BCADRP CCNC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173901398 134278351 /nfs/dbraw/zinc/27/83/51/134278351.db2.gz HAGMTVUPSSNWNP-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CCOC1 ZINC000219317020 134281265 /nfs/dbraw/zinc/28/12/65/134281265.db2.gz HOSRBAFHSCJIJY-RYUDHWBXSA-N 2 0 230.352 0.579 20 0 BCADRP CN(CC[NH+](C)C)C(=O)NC1CC[NH+](C)CC1 ZINC000176147311 134290612 /nfs/dbraw/zinc/29/06/12/134290612.db2.gz TZAGBXBFPRPZKN-UHFFFAOYSA-N 2 0 242.367 0.284 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000178405447 134309989 /nfs/dbraw/zinc/30/99/89/134309989.db2.gz QWKMIMWYFPRDOD-JQWIXIFHSA-N 2 0 233.315 0.494 20 0 BCADRP CCCN(C(=O)[C@@H]([NH3+])CC)[C@H]1CC[NH2+]C1 ZINC000178408206 134310196 /nfs/dbraw/zinc/31/01/96/134310196.db2.gz OMIJXRMNDDUHLV-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP O=C(CC1CC[NH2+]CC1)NC[C@H]1CCC[NH2+]1 ZINC000178757294 134310835 /nfs/dbraw/zinc/31/08/35/134310835.db2.gz PNJIPLLCQOTWTM-LLVKDONJSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000178735947 134311086 /nfs/dbraw/zinc/31/10/86/134311086.db2.gz MUGONMNJIRCCPC-QWRGUYRKSA-N 2 0 225.336 0.420 20 0 BCADRP C[NH2+]CCCC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000178702946 134313368 /nfs/dbraw/zinc/31/33/68/134313368.db2.gz JEJYQKWGDCXMCU-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP C[C@@H](CS(C)(=O)=O)[N@H+](C)CC1CC[NH2+]CC1 ZINC000178973217 134314138 /nfs/dbraw/zinc/31/41/38/134314138.db2.gz XHIICLBTXFYTQT-JTQLQIEISA-N 2 0 248.392 0.351 20 0 BCADRP NC(=O)C[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178976307 134314186 /nfs/dbraw/zinc/31/41/86/134314186.db2.gz MNEWSRWRXIBRJO-GFCCVEGCSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@H](NC(=O)[C@H]1CCC[NH2+]1)C(C)(C)C[NH+](C)C ZINC000178817998 134315651 /nfs/dbraw/zinc/31/56/51/134315651.db2.gz MMYNJHUAPMZLGM-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000178815853 134315859 /nfs/dbraw/zinc/31/58/59/134315859.db2.gz BUSXAUUSPSUJSC-GUBZILKMSA-N 2 0 213.325 0.275 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)O)[C@@H](C)C1 ZINC000221672912 134325734 /nfs/dbraw/zinc/32/57/34/134325734.db2.gz QCIBDOVOWLACPH-AXFHLTTASA-N 2 0 200.326 0.687 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000180897495 134331984 /nfs/dbraw/zinc/33/19/84/134331984.db2.gz OWVGIEPDCROBPU-JQWIXIFHSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000223584732 134340703 /nfs/dbraw/zinc/34/07/03/134340703.db2.gz LIKSHQMZLVBYJP-GARJFASQSA-N 2 0 200.326 0.687 20 0 BCADRP CCC[NH+]1CCC([NH2+]CC[C@H](O)COC)CC1 ZINC000223821409 134343023 /nfs/dbraw/zinc/34/30/23/134343023.db2.gz XXOJONAPQDJMOV-ZDUSSCGKSA-N 2 0 244.379 0.848 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226868782 134370359 /nfs/dbraw/zinc/37/03/59/134370359.db2.gz VVILLYPXRWIEPG-GARJFASQSA-N 2 0 227.352 0.713 20 0 BCADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOCCO)CC[C@H]21 ZINC000227342777 134378162 /nfs/dbraw/zinc/37/81/62/134378162.db2.gz FTNBVPNCVNTAER-QWHCGFSZSA-N 2 0 242.363 0.411 20 0 BCADRP CCN(CCC[NH+](CC)CC)C(=O)CC[NH3+] ZINC000230705554 134534020 /nfs/dbraw/zinc/53/40/20/134534020.db2.gz UJXKYCIIZXONSN-UHFFFAOYSA-N 2 0 229.368 0.916 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000192127240 134582414 /nfs/dbraw/zinc/58/24/14/134582414.db2.gz KGJQZTPBGJKGCF-MFDAYCCISA-N 2 0 225.336 0.165 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237619062 134845853 /nfs/dbraw/zinc/84/58/53/134845853.db2.gz KIQRDEZBMXYQDG-ZJUUUORDSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH2+]3)C[C@H]12 ZINC000248568245 135004729 /nfs/dbraw/zinc/00/47/29/135004729.db2.gz CEGAKGSHZHSQCN-KXNHARMFSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000248857291 135023469 /nfs/dbraw/zinc/02/34/69/135023469.db2.gz LGHKLMXHRLRQAP-GUBZILKMSA-N 2 0 213.325 0.323 20 0 BCADRP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCOC3)CC[N@@H+]2C1 ZINC000251099792 135064398 /nfs/dbraw/zinc/06/43/98/135064398.db2.gz JSZXLGPKWCXSBP-GRYCIOLGSA-N 2 0 210.321 0.992 20 0 BCADRP CC[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251088132 135064500 /nfs/dbraw/zinc/06/45/00/135064500.db2.gz NTRFOANFQOITMM-WOPDTQHZSA-N 2 0 212.337 0.974 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NCC[N@H+](CC)C(C)C ZINC000236854967 135067402 /nfs/dbraw/zinc/06/74/02/135067402.db2.gz GRINEVBNOZFNKF-NSHDSACASA-N 2 0 229.368 0.960 20 0 BCADRP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000251333856 135068691 /nfs/dbraw/zinc/06/86/91/135068691.db2.gz PJQSMFZWGLWATL-RWMBFGLXSA-N 2 0 224.348 0.974 20 0 BCADRP C[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000237401832 135070121 /nfs/dbraw/zinc/07/01/21/135070121.db2.gz HRLXSEWEJMNBSS-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1C[NH2+]CCN1CC[C@H]1CCC[NH2+]C1 ZINC000251611044 135072098 /nfs/dbraw/zinc/07/20/98/135072098.db2.gz DMIXMQCSUZVZQA-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)CC[C@H]1[NH3+] ZINC000251931288 135081053 /nfs/dbraw/zinc/08/10/53/135081053.db2.gz YSZPSDPUPQQCQH-GXFFZTMASA-N 2 0 247.342 0.955 20 0 BCADRP Cc1ncsc1C[N@H+](C)CCOCC[NH3+] ZINC000086435798 135084244 /nfs/dbraw/zinc/08/42/44/135084244.db2.gz JPSZBBDNERPAFW-UHFFFAOYSA-N 2 0 229.349 0.859 20 0 BCADRP Cc1c(CN2CCC[NH2+]CC2)cnn1C ZINC000086552420 135089781 /nfs/dbraw/zinc/08/97/81/135089781.db2.gz MJWCDFWGUPAVOW-UHFFFAOYSA-N 2 0 208.309 0.524 20 0 BCADRP COC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000252464842 135091042 /nfs/dbraw/zinc/09/10/42/135091042.db2.gz MWDXAOQTVWLLLE-WRWGMCAJSA-N 2 0 230.352 0.312 20 0 BCADRP Cn1cccc1CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252661548 135093741 /nfs/dbraw/zinc/09/37/41/135093741.db2.gz LYMSDGURTDUHSM-UONOGXRCSA-N 2 0 249.358 0.978 20 0 BCADRP C[N@H+](C[C@H]1CCOC1)CC1CC[NH2+]CC1 ZINC000086701723 135095434 /nfs/dbraw/zinc/09/54/34/135095434.db2.gz JBJCQHSREXXTSE-GFCCVEGCSA-N 2 0 212.337 0.954 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252715720 135101576 /nfs/dbraw/zinc/10/15/76/135101576.db2.gz WMZDSUPPKAJHAR-IJLUTSLNSA-N 2 0 230.352 0.314 20 0 BCADRP COC[C@H](O)CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252728278 135102817 /nfs/dbraw/zinc/10/28/17/135102817.db2.gz ARVFXOWXPPKYIX-UTUOFQBUSA-N 2 0 230.352 0.314 20 0 BCADRP C[C@H]([NH3+])C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000086930507 135102883 /nfs/dbraw/zinc/10/28/83/135102883.db2.gz OWWCSQBRLBTKBL-GARJFASQSA-N 2 0 225.336 0.419 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H]1O ZINC000261533449 135109197 /nfs/dbraw/zinc/10/91/97/135109197.db2.gz BAGOVGAEKNFATB-GRYCIOLGSA-N 2 0 212.337 0.689 20 0 BCADRP CO[C@]1(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCOC1 ZINC000252860072 135113631 /nfs/dbraw/zinc/11/36/31/135113631.db2.gz NQTRJQNIMDKNRJ-AGIUHOORSA-N 2 0 242.363 0.864 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCCO ZINC000253283538 135126129 /nfs/dbraw/zinc/12/61/29/135126129.db2.gz MCSXLZAGVWFVQI-WDEREUQCSA-N 2 0 200.326 0.689 20 0 BCADRP Cc1c[nH]nc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000257645746 135137317 /nfs/dbraw/zinc/13/73/17/135137317.db2.gz CBXYUTUARMXPEG-LBPRGKRZSA-N 2 0 220.320 0.904 20 0 BCADRP COc1ccc(CC[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000259170820 135137530 /nfs/dbraw/zinc/13/75/30/135137530.db2.gz VUJRGIAWKFUUJK-GFCCVEGCSA-N 2 0 238.331 0.489 20 0 BCADRP C([C@@H]1CCOC1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257669138 135138164 /nfs/dbraw/zinc/13/81/64/135138164.db2.gz HZNBWYBUTHUGRT-NWDGAFQWSA-N 2 0 210.321 0.708 20 0 BCADRP O=C([C@@H]1CC[NH2+]C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257725679 135140764 /nfs/dbraw/zinc/14/07/64/135140764.db2.gz WJPDTHZPIKVZFH-YPMHNXCESA-N 2 0 237.347 0.198 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000261545430 135146623 /nfs/dbraw/zinc/14/66/23/135146623.db2.gz JYUVEUXOAWVEAJ-GXSJLCMTSA-N 2 0 213.325 0.243 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)C[NH3+] ZINC000261529317 135155911 /nfs/dbraw/zinc/15/59/11/135155911.db2.gz AOEJIMFSALFFOE-NXEZZACHSA-N 2 0 215.341 0.428 20 0 BCADRP C[N@H+](CC1(CO)CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000261532521 135163544 /nfs/dbraw/zinc/16/35/44/135163544.db2.gz ALKJYJJZNKZZRM-NSHDSACASA-N 2 0 212.337 0.690 20 0 BCADRP C[N@@H+](CCC(N)=O)CC[C@H]1CCC[NH+]1C ZINC000353169366 135166940 /nfs/dbraw/zinc/16/69/40/135166940.db2.gz OLPPADIBHVJYHG-SNVBAGLBSA-N 2 0 213.325 0.278 20 0 BCADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCn1cccn1 ZINC000261537112 135173082 /nfs/dbraw/zinc/17/30/82/135173082.db2.gz UWZQYNVTWFMPNL-NSHDSACASA-N 2 0 210.325 0.846 20 0 BCADRP C[N@H+](C[C@H]1CCOC1)C[C@H]1CCC[NH2+]C1 ZINC000261537700 135174305 /nfs/dbraw/zinc/17/43/05/135174305.db2.gz WENUDZNARJNPJO-NWDGAFQWSA-N 2 0 212.337 0.954 20 0 BCADRP C[C@@H]1CN(C)CCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000261539692 135178468 /nfs/dbraw/zinc/17/84/68/135178468.db2.gz BBAWGDPLNDEZJP-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C[C@H](C[NH3+])OC ZINC000261539947 135178714 /nfs/dbraw/zinc/17/87/14/135178714.db2.gz CQXZNPXFPSSVGA-WDEREUQCSA-N 2 0 245.367 0.197 20 0 BCADRP CCOC[C@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000261540028 135178986 /nfs/dbraw/zinc/17/89/86/135178986.db2.gz DOXOXQHWPVTPMW-NSHDSACASA-N 2 0 216.325 0.320 20 0 BCADRP C[C@@H]1[NH2+]CCN(C[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000261540245 135179424 /nfs/dbraw/zinc/17/94/24/135179424.db2.gz DWDVWGCDROPZLJ-SRVKXCTJSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@]1(C[NH3+])CCN(CC(=O)N2CCCCC2)C1 ZINC000261540635 135179779 /nfs/dbraw/zinc/17/97/79/135179779.db2.gz AICVTVGBWAFKIU-CYBMUJFWSA-N 2 0 239.363 0.670 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000261542659 135183090 /nfs/dbraw/zinc/18/30/90/135183090.db2.gz HCIOTJYJBIBAMS-SECBINFHSA-N 2 0 213.325 0.359 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000261542604 135183142 /nfs/dbraw/zinc/18/31/42/135183142.db2.gz PVXFZGHFFQRGIC-JBLDHEPKSA-N 2 0 241.379 0.959 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000261544156 135185639 /nfs/dbraw/zinc/18/56/39/135185639.db2.gz XHCJYEMXDPKYJV-GHMZBOCLSA-N 2 0 241.379 0.688 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000261549639 135188166 /nfs/dbraw/zinc/18/81/66/135188166.db2.gz OWJALCAIYAZZHM-RKDXNWHRSA-N 2 0 215.341 0.603 20 0 BCADRP CC1(C)C[N@H+](CC2CC[NH2+]CC2)C[C@H]1O ZINC000261549409 135188534 /nfs/dbraw/zinc/18/85/34/135188534.db2.gz OMGVLJHGXJERHT-LLVKDONJSA-N 2 0 212.337 0.689 20 0 BCADRP CC1(C)C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H]1O ZINC000261551150 135190426 /nfs/dbraw/zinc/19/04/26/135190426.db2.gz QFIANAOPNFPWSO-JQWIXIFHSA-N 2 0 212.337 0.689 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000261551397 135190595 /nfs/dbraw/zinc/19/05/95/135190595.db2.gz QMNYBJBKKUZDQF-MWLCHTKSSA-N 2 0 213.325 0.372 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000261551399 135190651 /nfs/dbraw/zinc/19/06/51/135190651.db2.gz QMNYBJBKKUZDQF-ONGXEEELSA-N 2 0 213.325 0.372 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH2+]C)C1 ZINC000261553445 135193237 /nfs/dbraw/zinc/19/32/37/135193237.db2.gz SMCJCHAUACDHFA-SNVBAGLBSA-N 2 0 213.325 0.006 20 0 BCADRP CN(CC(C)(C)C[NH3+])C[C@@]1(C)CC[NH2+]C1 ZINC000261554786 135194210 /nfs/dbraw/zinc/19/42/10/135194210.db2.gz UOMVSCVMBZGYLJ-LBPRGKRZSA-N 2 0 213.369 0.903 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@@H]1O ZINC000261555778 135195267 /nfs/dbraw/zinc/19/52/67/135195267.db2.gz VGWZHVOJHQZODK-WOPDTQHZSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000261555146 135195694 /nfs/dbraw/zinc/19/56/94/135195694.db2.gz UTROXKLHGVALHZ-VIFPVBQESA-N 2 0 213.325 0.502 20 0 BCADRP C[C@H](C(=O)NC1CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261558854 135199371 /nfs/dbraw/zinc/19/93/71/135199371.db2.gz STXCIIBFCIKYHU-FOGDFJRCSA-N 2 0 237.347 0.337 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]21 ZINC000261562883 135204821 /nfs/dbraw/zinc/20/48/21/135204821.db2.gz WQPNTQAQJBQSGB-GRYCIOLGSA-N 2 0 235.335 0.337 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000261563456 135205145 /nfs/dbraw/zinc/20/51/45/135205145.db2.gz BWOCUBSAEATSKK-BBBLOLIVSA-N 2 0 213.325 0.167 20 0 BCADRP c1cnn(CCN2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261564473 135206014 /nfs/dbraw/zinc/20/60/14/135206014.db2.gz CPMCWOGMLSLTQZ-VXGBXAGGSA-N 2 0 220.320 0.567 20 0 BCADRP C[C@H](C(=O)NCC(C)(C)C[NH+](C)C)C1C[NH2+]C1 ZINC000163808490 135207920 /nfs/dbraw/zinc/20/79/20/135207920.db2.gz FQIQPFAXJMKPTL-JTQLQIEISA-N 2 0 241.379 0.546 20 0 BCADRP [NH3+]C1(C[NH2+]CCN2CCCC2=O)CCC1 ZINC000261566933 135208293 /nfs/dbraw/zinc/20/82/93/135208293.db2.gz DSYZMZIVTQJDQG-UHFFFAOYSA-N 2 0 211.309 0.080 20 0 BCADRP CC[C@@H]1C[N@H+](CCOCC[NH3+])C[C@H](C)O1 ZINC000261569157 135211167 /nfs/dbraw/zinc/21/11/67/135211167.db2.gz GFDYYSYAMMNMKT-WDEREUQCSA-N 2 0 216.325 0.461 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@](C)([NH3+])CCC ZINC000261570683 135212933 /nfs/dbraw/zinc/21/29/33/135212933.db2.gz HBRIEVGXNBUUIB-NSHDSACASA-N 2 0 215.341 0.620 20 0 BCADRP C[C@@H](Cn1cncn1)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000164123392 135213240 /nfs/dbraw/zinc/21/32/40/135213240.db2.gz RRKHONOHMNEOPY-TUAOUCFPSA-N 2 0 237.351 0.739 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000261571649 135214235 /nfs/dbraw/zinc/21/42/35/135214235.db2.gz HQSXQYIGQFGBNF-XHNCKOQMSA-N 2 0 213.325 0.308 20 0 BCADRP Cc1n[nH]cc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261572003 135214360 /nfs/dbraw/zinc/21/43/60/135214360.db2.gz HYJUGLMDBHIESU-SCZZXKLOSA-N 2 0 208.309 0.887 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C[C@@H](C)[NH3+] ZINC000261572821 135214529 /nfs/dbraw/zinc/21/45/29/135214529.db2.gz IISWTVOREXNGGW-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)CC[C@H](C)[NH3+] ZINC000261573114 135214782 /nfs/dbraw/zinc/21/47/82/135214782.db2.gz IODOCWUUNZGHBS-ONGXEEELSA-N 2 0 215.341 0.603 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C[C@H](C)[NH3+] ZINC000261572822 135214908 /nfs/dbraw/zinc/21/49/08/135214908.db2.gz IISWTVOREXNGGW-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CNC(=O)[C@]1(C)CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261573423 135215676 /nfs/dbraw/zinc/21/56/76/135215676.db2.gz IUPNSEAZBJMACK-LLVKDONJSA-N 2 0 213.325 0.182 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)NCC[NH+]1CCCC1 ZINC000084381955 135215897 /nfs/dbraw/zinc/21/58/97/135215897.db2.gz NEVVUJDYYXSTNP-LLVKDONJSA-N 2 0 225.336 0.198 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000261574134 135216053 /nfs/dbraw/zinc/21/60/53/135216053.db2.gz JCOVBVMXLCGIFB-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000261575490 135216475 /nfs/dbraw/zinc/21/64/75/135216475.db2.gz JUQDZWCOIIMLGX-YPMHNXCESA-N 2 0 223.364 0.894 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000084383165 135216517 /nfs/dbraw/zinc/21/65/17/135216517.db2.gz XAMNHHXINAZCFZ-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP COCC[NH+](CCOC)CC[C@H]1CC[NH2+]C1 ZINC000084385081 135218434 /nfs/dbraw/zinc/21/84/34/135218434.db2.gz VPCMQMOPPPAUCM-GFCCVEGCSA-N 2 0 230.352 0.581 20 0 BCADRP COC[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261580061 135220673 /nfs/dbraw/zinc/22/06/73/135220673.db2.gz MQECEAWOBAGWHX-RYUDHWBXSA-N 2 0 227.352 0.001 20 0 BCADRP C[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000261582725 135223558 /nfs/dbraw/zinc/22/35/58/135223558.db2.gz OPAKKGCSCMOANI-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP CCSCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261587274 135228782 /nfs/dbraw/zinc/22/87/82/135228782.db2.gz RQEVEGICVQJZEX-GFCCVEGCSA-N 2 0 243.420 0.719 20 0 BCADRP Cn1cnnc1[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261588547 135229350 /nfs/dbraw/zinc/22/93/50/135229350.db2.gz VTRORBYHLMAIJX-GFCCVEGCSA-N 2 0 249.362 0.952 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000261588255 135229589 /nfs/dbraw/zinc/22/95/89/135229589.db2.gz SHHHJJUUVZIRLW-LLVKDONJSA-N 2 0 214.309 0.074 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000261590661 135230920 /nfs/dbraw/zinc/23/09/20/135230920.db2.gz USYUOBXDNLKCRK-IVZWLZJFSA-N 2 0 215.341 0.459 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000261593381 135233630 /nfs/dbraw/zinc/23/36/30/135233630.db2.gz WSOFBDHWBMASRX-BDAKNGLRSA-N 2 0 215.341 0.603 20 0 BCADRP C[C@@H](CNC(=O)CC[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000261594000 135234453 /nfs/dbraw/zinc/23/44/53/135234453.db2.gz XGTARNGSBHWAEV-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]1CC[NH2+]1 ZINC000261593586 135234560 /nfs/dbraw/zinc/23/45/60/135234560.db2.gz WYOLVPORLLJJBG-KOLCDFICSA-N 2 0 213.325 0.228 20 0 BCADRP NC[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261595263 135235395 /nfs/dbraw/zinc/23/53/95/135235395.db2.gz YACOUELMHGNWLQ-LBPRGKRZSA-N 2 0 211.353 0.799 20 0 BCADRP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CC1CC[NH2+]CC1 ZINC000261546532 135238828 /nfs/dbraw/zinc/23/88/28/135238828.db2.gz GWWQHPMUAFAXEY-QSLWVIQJSA-N 2 0 236.359 0.687 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000261547091 135239628 /nfs/dbraw/zinc/23/96/28/135239628.db2.gz LUJVSUVQHUJLFG-ZYUZMQFOSA-N 2 0 213.325 0.179 20 0 BCADRP O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2C[C@H]1CCC[NH2+]C1 ZINC000261636614 135241936 /nfs/dbraw/zinc/24/19/36/135241936.db2.gz CZIJPQKMXOHNMH-QJPTWQEYSA-N 2 0 237.347 0.196 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000261649992 135242487 /nfs/dbraw/zinc/24/24/87/135242487.db2.gz FJROVMJVEZYKEZ-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])[NH+](C)C ZINC000261643531 135242920 /nfs/dbraw/zinc/24/29/20/135242920.db2.gz CUXUYHMLJIDIRR-OUAUKWLOSA-N 2 0 227.352 0.570 20 0 BCADRP OCCO[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261640585 135242963 /nfs/dbraw/zinc/24/29/63/135242963.db2.gz FPOSRJHUAYGASK-CYBMUJFWSA-N 2 0 242.363 0.459 20 0 BCADRP FC(F)CN1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261638276 135243002 /nfs/dbraw/zinc/24/30/02/135243002.db2.gz FLPZXFZQXUJMEG-UHFFFAOYSA-N 2 0 247.333 0.869 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)[C@H]1C ZINC000261689487 135245938 /nfs/dbraw/zinc/24/59/38/135245938.db2.gz AZRYIHQVPLUKSE-DMDPSCGWSA-N 2 0 240.347 0.869 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000261685502 135245964 /nfs/dbraw/zinc/24/59/64/135245964.db2.gz CCGQXSLIMZQNKT-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261719121 135247281 /nfs/dbraw/zinc/24/72/81/135247281.db2.gz CIBLXLXPHZSXKL-LBPRGKRZSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000084420100 135249474 /nfs/dbraw/zinc/24/94/74/135249474.db2.gz RAWDPQROEMYBJY-WDEREUQCSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000084420094 135249580 /nfs/dbraw/zinc/24/95/80/135249580.db2.gz RAWDPQROEMYBJY-QWRGUYRKSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@@H]1CCC[N@H+](CCNC2=[NH+]CCCN2)C1 ZINC000261749532 135249649 /nfs/dbraw/zinc/24/96/49/135249649.db2.gz JPZAGQUANARWFH-LLVKDONJSA-N 2 0 224.352 0.657 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000261774733 135251564 /nfs/dbraw/zinc/25/15/64/135251564.db2.gz JBNYFUXCLHTDOX-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000261822443 135255686 /nfs/dbraw/zinc/25/56/86/135255686.db2.gz MPHLRUYFWIARJI-GARJFASQSA-N 2 0 227.352 0.522 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261812783 135255693 /nfs/dbraw/zinc/25/56/93/135255693.db2.gz HBVUTVAUGOWZHF-YPMHNXCESA-N 2 0 241.379 0.866 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000261833725 135256338 /nfs/dbraw/zinc/25/63/38/135256338.db2.gz JHDKWKGSUYWVKC-ZDUSSCGKSA-N 2 0 239.363 0.002 20 0 BCADRP C[C@H](CNC(=O)C[C@H](C)[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000261852161 135257233 /nfs/dbraw/zinc/25/72/33/135257233.db2.gz OVLWCLIQVQONAC-GRYCIOLGSA-N 2 0 241.379 0.960 20 0 BCADRP CCOCCOCC[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261878429 135259175 /nfs/dbraw/zinc/25/91/75/135259175.db2.gz QKAKMQAMKNEUEP-CYBMUJFWSA-N 2 0 244.379 0.971 20 0 BCADRP CN(CCN1CCOCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000261881891 135260155 /nfs/dbraw/zinc/26/01/55/135260155.db2.gz RDRWVIIASNFHJD-ZDUSSCGKSA-N 2 0 241.379 0.250 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000261881390 135260384 /nfs/dbraw/zinc/26/03/84/135260384.db2.gz RWWQFWBVPAXHOQ-GXSJLCMTSA-N 2 0 245.392 0.277 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H]1C ZINC000261890815 135260826 /nfs/dbraw/zinc/26/08/26/135260826.db2.gz VDNATQLNZIQSBR-FIQHERPVSA-N 2 0 239.363 0.713 20 0 BCADRP OCCO[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261922934 135263441 /nfs/dbraw/zinc/26/34/41/135263441.db2.gz KRTKKEMFYUMHQX-CHWSQXEVSA-N 2 0 242.363 0.459 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000261923074 135263756 /nfs/dbraw/zinc/26/37/56/135263756.db2.gz IUYHBGQZXGIHAT-FOGDFJRCSA-N 2 0 227.352 0.700 20 0 BCADRP CC[C@H](C(=O)NC[C@H]([NH3+])C1CC1)[NH+](CC)CC ZINC000261925206 135263759 /nfs/dbraw/zinc/26/37/59/135263759.db2.gz JXPCGOXLPGZINK-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000261931793 135264691 /nfs/dbraw/zinc/26/46/91/135264691.db2.gz YYWOWFMCYVZENB-PWSUYJOCSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000262004486 135271111 /nfs/dbraw/zinc/27/11/11/135271111.db2.gz IAHLLOYLHIHPAO-SRVKXCTJSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000262004491 135271165 /nfs/dbraw/zinc/27/11/65/135271165.db2.gz IAHLLOYLHIHPAO-UTUOFQBUSA-N 2 0 239.363 0.727 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262005276 135271656 /nfs/dbraw/zinc/27/16/56/135271656.db2.gz LSEWAZVWZQDMLY-PWSUYJOCSA-N 2 0 226.320 0.481 20 0 BCADRP COCCO[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262012415 135272065 /nfs/dbraw/zinc/27/20/65/135272065.db2.gz MKDDZVKMQSRBKB-CHWSQXEVSA-N 2 0 242.363 0.723 20 0 BCADRP CN(CCc1cnccn1)C[C@@H]1CCC[NH2+]C1 ZINC000262023491 135274107 /nfs/dbraw/zinc/27/41/07/135274107.db2.gz WLDINCRQABYLJK-GFCCVEGCSA-N 2 0 234.347 0.951 20 0 BCADRP CNC(=O)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262039508 135275157 /nfs/dbraw/zinc/27/51/57/135275157.db2.gz OYTJIVFUWBRICH-ZDUSSCGKSA-N 2 0 239.363 0.444 20 0 BCADRP CNC(=O)[C@]1(C)CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262033503 135275217 /nfs/dbraw/zinc/27/52/17/135275217.db2.gz OHVKHFMMAPPJKV-CHWSQXEVSA-N 2 0 239.363 0.444 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000262049243 135276272 /nfs/dbraw/zinc/27/62/72/135276272.db2.gz UVRWCPIYCBODNB-GHMZBOCLSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@]1(C[N@@H+]2CCCC[C@@H]2CC(N)=O)CC[NH2+]C1 ZINC000262064596 135276602 /nfs/dbraw/zinc/27/66/02/135276602.db2.gz RMLDTVJZYZRGLP-YPMHNXCESA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC(C)(C)C[NH3+] ZINC000262090941 135279117 /nfs/dbraw/zinc/27/91/17/135279117.db2.gz GYMZWKBMVJOVAY-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](CNC(=O)CCC[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000262147564 135282180 /nfs/dbraw/zinc/28/21/80/135282180.db2.gz NBMFEWJSHFTDPK-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C(C1CC[NH2+]CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000262238449 135287323 /nfs/dbraw/zinc/28/73/23/135287323.db2.gz OVTOZOVYGNJNKJ-CYBMUJFWSA-N 2 0 223.364 0.812 20 0 BCADRP C[C@@H]1[C@@H](C)CC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262280646 135289729 /nfs/dbraw/zinc/28/97/29/135289729.db2.gz ZGGZRZRPJXAACS-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000262310249 135292177 /nfs/dbraw/zinc/29/21/77/135292177.db2.gz CUUIPRXGVNIRAA-WDEREUQCSA-N 2 0 227.352 0.429 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000262338319 135293644 /nfs/dbraw/zinc/29/36/44/135293644.db2.gz HOMLMPPIGYMTLL-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000262332794 135293861 /nfs/dbraw/zinc/29/38/61/135293861.db2.gz GWAWCYBVEZWQCC-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000262415500 135295332 /nfs/dbraw/zinc/29/53/32/135295332.db2.gz RCRCEWUVMHXUAX-SNVBAGLBSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000262376986 135297712 /nfs/dbraw/zinc/29/77/12/135297712.db2.gz MJZNWXLNCLXNCV-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000262375750 135298051 /nfs/dbraw/zinc/29/80/51/135298051.db2.gz MGKMLPSZZCFPJT-JTQLQIEISA-N 2 0 239.363 0.572 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262374371 135298061 /nfs/dbraw/zinc/29/80/61/135298061.db2.gz MPISLLLOAYIXGO-KQXIARHKSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)C1C[NH2+]C1 ZINC000262394627 135299032 /nfs/dbraw/zinc/29/90/32/135299032.db2.gz ORDOJGKIWLQIOE-JOYOIKCWSA-N 2 0 239.363 0.298 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262448759 135299346 /nfs/dbraw/zinc/29/93/46/135299346.db2.gz QSGNCYUWMOQMGQ-WDEREUQCSA-N 2 0 227.352 0.748 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@]1(CC)CCC[NH2+]1 ZINC000262454142 135300352 /nfs/dbraw/zinc/30/03/52/135300352.db2.gz KNQBSGNFQRBJQY-PWSUYJOCSA-N 2 0 227.352 0.633 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000262451680 135300684 /nfs/dbraw/zinc/30/06/84/135300684.db2.gz WAGGJXMEOHBUOW-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+][C@H](Cc1ccccc1)C(=O)NCC1([NH3+])CCC1 ZINC000342602642 135301608 /nfs/dbraw/zinc/30/16/08/135301608.db2.gz YPINWEXHEBHPBA-GFCCVEGCSA-N 2 0 247.342 0.554 20 0 BCADRP C[C@@H](CC(=O)NC(C)(C)C[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000262510800 135303356 /nfs/dbraw/zinc/30/33/56/135303356.db2.gz NQLHHLDKNANCQC-WDEREUQCSA-N 2 0 241.379 0.866 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000262544794 135305464 /nfs/dbraw/zinc/30/54/64/135305464.db2.gz ZOCDQILURJUOOU-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH3+])[NH+]1CCCCC1 ZINC000262551341 135305857 /nfs/dbraw/zinc/30/58/57/135305857.db2.gz YMMUABBBIRLZRT-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]CC1(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000262571476 135306296 /nfs/dbraw/zinc/30/62/96/135306296.db2.gz DLOGMZRNOQTAGP-GHMZBOCLSA-N 2 0 239.363 0.892 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[NH2+]CC1CC1 ZINC000262579661 135306529 /nfs/dbraw/zinc/30/65/29/135306529.db2.gz IGDSTVSIOIFJBC-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000342702501 135306780 /nfs/dbraw/zinc/30/67/80/135306780.db2.gz CZZOFCZTNIQCIN-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000262582700 135306827 /nfs/dbraw/zinc/30/68/27/135306827.db2.gz QMJSPNDDDIDYFR-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C[C@H]1CCC[NH2+]1 ZINC000262588688 135307380 /nfs/dbraw/zinc/30/73/80/135307380.db2.gz QYNOZDWDXMDICZ-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000262611459 135309026 /nfs/dbraw/zinc/30/90/26/135309026.db2.gz BWRZLKTUDGQTDF-CHWSQXEVSA-N 2 0 247.342 0.848 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000262624126 135309522 /nfs/dbraw/zinc/30/95/22/135309522.db2.gz JVQDKWQXFQLMEM-SECBINFHSA-N 2 0 229.368 0.994 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000342753257 135311761 /nfs/dbraw/zinc/31/17/61/135311761.db2.gz PVGYDPKCOVBTQN-GVXVVHGQSA-N 2 0 241.379 0.864 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H]1CC[NH2+]C1)[NH+](CC)CC ZINC000342723470 135314481 /nfs/dbraw/zinc/31/44/81/135314481.db2.gz IWZGDRHYKASLPI-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@H](C(=O)NC[C@H]1CC[NH2+]C1)[NH+](CC)CC ZINC000342723473 135314553 /nfs/dbraw/zinc/31/45/53/135314553.db2.gz IWZGDRHYKASLPI-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CCCC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000262781454 135317997 /nfs/dbraw/zinc/31/79/97/135317997.db2.gz YCBJAEPIHIBGKO-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000263095193 135332649 /nfs/dbraw/zinc/33/26/49/135332649.db2.gz NPEHFRDXZYORBE-HBNTYKKESA-N 2 0 225.336 0.243 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000263102401 135332711 /nfs/dbraw/zinc/33/27/11/135332711.db2.gz ZMWPRGSHIKGNAY-NHCYSSNCSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000263102405 135333025 /nfs/dbraw/zinc/33/30/25/135333025.db2.gz ZMWPRGSHIKGNAY-UMNHJUIQSA-N 2 0 225.336 0.372 20 0 BCADRP CN(C(=O)[C@@H]1CCCC[C@]1(C)[NH3+])[C@H]1CC[NH2+]C1 ZINC000263260531 135343700 /nfs/dbraw/zinc/34/37/00/135343700.db2.gz QVOYPDQAPZXVKX-GVXVVHGQSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000081000094 135385572 /nfs/dbraw/zinc/38/55/72/135385572.db2.gz RIESWCQBYNHNMW-HTAVTVPLSA-N 2 0 239.363 0.905 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000081000095 135385592 /nfs/dbraw/zinc/38/55/92/135385592.db2.gz RIESWCQBYNHNMW-MCIGGMRASA-N 2 0 239.363 0.905 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC[NH2+]CC1)[C@@H](C)[NH3+] ZINC000335603408 135417835 /nfs/dbraw/zinc/41/78/35/135417835.db2.gz HSCQFFCCSHMCCU-MNOVXSKESA-N 2 0 227.352 0.428 20 0 BCADRP C[NH+](C)C1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000335647905 135419818 /nfs/dbraw/zinc/41/98/18/135419818.db2.gz FSWJCKMGSPIAAY-UHFFFAOYSA-N 2 0 225.336 0.149 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000080993052 135427027 /nfs/dbraw/zinc/42/70/27/135427027.db2.gz HZLZEXAZCVIGPF-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP Cn1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)c1 ZINC000343191327 135436410 /nfs/dbraw/zinc/43/64/10/135436410.db2.gz XXZCPCCQXVRVGA-UHFFFAOYSA-N 2 0 237.347 0.571 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000164965898 135453676 /nfs/dbraw/zinc/45/36/76/135453676.db2.gz AGCLPOLAJFVIBG-VHSXEESVSA-N 2 0 229.368 0.674 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC1CC[NH+](C)CC1 ZINC000086065552 135489604 /nfs/dbraw/zinc/48/96/04/135489604.db2.gz GSMHFPZALCJIQB-VIFPVBQESA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]CCCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000086932190 135499765 /nfs/dbraw/zinc/49/97/65/135499765.db2.gz QDCJJUHYKONMBA-VXGBXAGGSA-N 2 0 211.353 0.764 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCCC[NH+](C)C ZINC000094647992 135616859 /nfs/dbraw/zinc/61/68/59/135616859.db2.gz UWODBQFHDSXIPE-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@]1(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CCC[NH2+]1 ZINC000343781052 135702014 /nfs/dbraw/zinc/70/20/14/135702014.db2.gz AESUMEBUEQFMSF-GMXVVIOVSA-N 2 0 239.363 0.714 20 0 BCADRP CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1(C[NH3+])CCC1 ZINC000334621386 135794027 /nfs/dbraw/zinc/79/40/27/135794027.db2.gz UWGRXVVNSZUIFM-GHMZBOCLSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000334959591 135850758 /nfs/dbraw/zinc/85/07/58/135850758.db2.gz ARJXAHHYWXNJPS-WCQYABFASA-N 2 0 247.342 0.754 20 0 BCADRP CC(C)(O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334995007 135861145 /nfs/dbraw/zinc/86/11/45/135861145.db2.gz XSQBWYBNBQEVLO-LBPRGKRZSA-N 2 0 212.337 0.833 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000335031399 135869452 /nfs/dbraw/zinc/86/94/52/135869452.db2.gz UFNAGTGUFUOGLT-LLVKDONJSA-N 2 0 244.298 0.898 20 0 BCADRP CN(CC[NH3+])C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000335047091 135872665 /nfs/dbraw/zinc/87/26/65/135872665.db2.gz LWGNQFWRKCZBLI-GHMZBOCLSA-N 2 0 227.352 0.701 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335062488 135886432 /nfs/dbraw/zinc/88/64/32/135886432.db2.gz OVDWHICYDPDYDY-KOLCDFICSA-N 2 0 233.315 0.498 20 0 BCADRP C[C@@]1(CNC(=O)[C@@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000335164222 135933468 /nfs/dbraw/zinc/93/34/68/135933468.db2.gz SYRNBWJLXSAFJD-DGCLKSJQSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@H](C[NH3+])NC(=O)CC1(C[NH3+])CCCCC1 ZINC000347651715 136001168 /nfs/dbraw/zinc/00/11/68/136001168.db2.gz LFBPOAOUJCJCFJ-SNVBAGLBSA-N 2 0 227.352 0.749 20 0 BCADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCC[NH3+])C[C@@H]1C ZINC000335296090 136006227 /nfs/dbraw/zinc/00/62/27/136006227.db2.gz RCXVYCBDBCBVCT-VHSXEESVSA-N 2 0 228.340 0.069 20 0 BCADRP COC[C@@H](O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000348127396 136033017 /nfs/dbraw/zinc/03/30/17/136033017.db2.gz ROTITAOWESLKEQ-ZDUSSCGKSA-N 2 0 244.379 0.798 20 0 BCADRP C[C@H]([NH3+])C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000335346676 136066763 /nfs/dbraw/zinc/06/67/63/136066763.db2.gz UECSLNILOMBOTN-UWVGGRQHSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@@H]1C[C@@H](C(=O)NCCC[NH+](C)C)CC[N@@H+]1C ZINC000348344395 136071733 /nfs/dbraw/zinc/07/17/33/136071733.db2.gz WKRUTQGCZVYABF-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)C1([NH3+])CCC1 ZINC000335357644 136074477 /nfs/dbraw/zinc/07/44/77/136074477.db2.gz CWTOGLHXPUIMRS-IXBNRNDTSA-N 2 0 237.347 0.500 20 0 BCADRP C[C@H]1CCN(C(=O)NCC(C)(C)[NH3+])[C@H](C[NH3+])C1 ZINC000335361828 136081213 /nfs/dbraw/zinc/08/12/13/136081213.db2.gz WXZDSNJFMGZEQI-UWVGGRQHSA-N 2 0 242.367 0.493 20 0 BCADRP [NH3+]CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000335375218 136085720 /nfs/dbraw/zinc/08/57/20/136085720.db2.gz MMCYFLBMAGOKIO-PWSUYJOCSA-N 2 0 237.347 0.420 20 0 BCADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)NC1CC[NH2+]CC1 ZINC000335378086 136086193 /nfs/dbraw/zinc/08/61/93/136086193.db2.gz CBSXZTJVJZZZCJ-PWSUYJOCSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000335383589 136088042 /nfs/dbraw/zinc/08/80/42/136088042.db2.gz BBGSMLLTTITGDZ-LLVKDONJSA-N 3 0 211.353 0.799 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000335388045 136089876 /nfs/dbraw/zinc/08/98/76/136089876.db2.gz ALUFAYFZLYWKFZ-SNVBAGLBSA-N 2 0 230.271 0.508 20 0 BCADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000335389060 136090197 /nfs/dbraw/zinc/09/01/97/136090197.db2.gz HTQCFBBHVKVZRL-BXKDBHETSA-N 2 0 233.315 0.880 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH3+])[C@@H]2C1 ZINC000335390859 136090447 /nfs/dbraw/zinc/09/04/47/136090447.db2.gz YLYZKUJSPMIUSG-GHMZBOCLSA-N 2 0 225.336 0.278 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)CCC[NH3+])[C@H]2C1 ZINC000335390861 136090519 /nfs/dbraw/zinc/09/05/19/136090519.db2.gz YLYZKUJSPMIUSG-QWRGUYRKSA-N 2 0 225.336 0.278 20 0 BCADRP NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000335394274 136091634 /nfs/dbraw/zinc/09/16/34/136091634.db2.gz GJDUQPWWSHUSEA-JTQLQIEISA-N 2 0 211.309 0.843 20 0 BCADRP NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000335394275 136091913 /nfs/dbraw/zinc/09/19/13/136091913.db2.gz GJDUQPWWSHUSEA-SNVBAGLBSA-N 2 0 211.309 0.843 20 0 BCADRP CNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335397744 136092920 /nfs/dbraw/zinc/09/29/20/136092920.db2.gz WURHIUAZDDAFPG-MNOVXSKESA-N 2 0 225.336 0.054 20 0 BCADRP CN(C)C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335397087 136093172 /nfs/dbraw/zinc/09/31/72/136093172.db2.gz UUYPSISWQOIGMO-UHFFFAOYSA-N 2 0 225.336 0.150 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335570979 136109261 /nfs/dbraw/zinc/10/92/61/136109261.db2.gz WURPFRCLPMHICP-NEPJUHHUSA-N 2 0 225.380 0.964 20 0 BCADRP C[C@@H]1CCNC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335570982 136109608 /nfs/dbraw/zinc/10/96/08/136109608.db2.gz WURPFRCLPMHICP-VXGBXAGGSA-N 2 0 225.380 0.964 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000348663724 136115631 /nfs/dbraw/zinc/11/56/31/136115631.db2.gz FAKNVARMLSMYIX-WDEREUQCSA-N 2 0 229.368 0.639 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCCC[NH+]1CCCCC1 ZINC000054071948 322855365 /nfs/dbraw/zinc/85/53/65/322855365.db2.gz BMBZOQGJORQEPX-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP CC[C@@]1(C(=O)NCC(C)(C)[NH3+])CC[NH2+]C1 ZINC000119230050 171195710 /nfs/dbraw/zinc/19/57/10/171195710.db2.gz DPRVAYMPMIQCHB-LLVKDONJSA-N 2 0 213.325 0.230 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000257725144 397828537 /nfs/dbraw/zinc/82/85/37/397828537.db2.gz UFRIXOUISSHKGJ-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000390432904 397889297 /nfs/dbraw/zinc/88/92/97/397889297.db2.gz QKRCCQSNBKMVEX-SCZZXKLOSA-N 2 0 207.277 0.150 20 0 BCADRP CC[NH+](CC)CC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000531297279 397969097 /nfs/dbraw/zinc/96/90/97/397969097.db2.gz LEYAEPSXPHQNRZ-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)c1ccc(C[NH3+])o1 ZINC000390552892 397895829 /nfs/dbraw/zinc/89/58/29/397895829.db2.gz PLCVUDRHTHLWEI-ZETCQYMHSA-N 2 0 211.265 0.205 20 0 BCADRP CC1(C)SC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000393825895 397896908 /nfs/dbraw/zinc/89/69/08/397896908.db2.gz GORFEOAETCZZSO-WDEREUQCSA-N 2 0 244.404 0.927 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000382965598 397911014 /nfs/dbraw/zinc/91/10/14/397911014.db2.gz PXTOMANLXYDBSN-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C[C@H]2CCC[N@@H+]2C)C1 ZINC000649530911 397922334 /nfs/dbraw/zinc/92/23/34/397922334.db2.gz PCXGNKILIFFLMH-QWHCGFSZSA-N 2 0 225.380 0.964 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000372497455 398004661 /nfs/dbraw/zinc/00/46/61/398004661.db2.gz UENACKQRMLKBEF-NTZNESFSSA-N 2 0 239.363 0.442 20 0 BCADRP Cn1ccnc1[C@H]1CCC[N@H+](CCO)C1 ZINC000373116031 398013819 /nfs/dbraw/zinc/01/38/19/398013819.db2.gz RBPNFVUTGHEIPO-JTQLQIEISA-N 2 0 209.293 0.592 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000648122446 398016879 /nfs/dbraw/zinc/01/68/79/398016879.db2.gz YBTXVGVQLGGXRF-WRWGMCAJSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000637845691 398029724 /nfs/dbraw/zinc/02/97/24/398029724.db2.gz BSMXBUSCZDHXPX-MNOVXSKESA-N 2 0 229.368 0.849 20 0 BCADRP CC[NH2+]CCNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000418317511 398033312 /nfs/dbraw/zinc/03/33/12/398033312.db2.gz MWFUOIKEPVZRDY-QWRGUYRKSA-N 2 0 242.367 0.365 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)[NH3+])C1 ZINC000389148928 398038102 /nfs/dbraw/zinc/03/81/02/398038102.db2.gz IXNFCBDTORKHLA-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP C[NH2+]CCCC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000383791544 398040608 /nfs/dbraw/zinc/04/06/08/398040608.db2.gz LWLLKZOUWJTTRA-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP CN(CC(=O)NC(C)(C)C)C[C@H]1CC[NH2+]C1 ZINC000382754702 397972561 /nfs/dbraw/zinc/97/25/61/397972561.db2.gz MGMFBFMZCVQWCY-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP COC[C@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313341740 398043832 /nfs/dbraw/zinc/04/38/32/398043832.db2.gz FXPPIFGYPVPKKG-UWVGGRQHSA-N 2 0 202.298 0.071 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638048390 398066701 /nfs/dbraw/zinc/06/67/01/398066701.db2.gz OHDJBSMMFTUSOS-NSHDSACASA-N 2 0 239.363 0.738 20 0 BCADRP C[C@@H](CNC(=O)/C=C\C[NH+](C)C)[N@H+](C)C1CC1 ZINC000491853794 398075243 /nfs/dbraw/zinc/07/52/43/398075243.db2.gz WFCOYQRRELYSLP-GZTOBOFZSA-N 2 0 239.363 0.703 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638244490 398081421 /nfs/dbraw/zinc/08/14/21/398081421.db2.gz WXPPEKNVFWRMJS-KOLCDFICSA-N 2 0 225.336 0.668 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000289315372 398085963 /nfs/dbraw/zinc/08/59/63/398085963.db2.gz UDKYKRCNECYJLL-RTXFEEFZSA-N 2 0 247.342 0.505 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418433326 398088102 /nfs/dbraw/zinc/08/81/02/398088102.db2.gz CZVNJBGURXKMBQ-NXEZZACHSA-N 2 0 230.356 0.396 20 0 BCADRP COC[C@H]1C[C@@H](O)C[N@@H+]1CCCn1ccnc1 ZINC000649763823 398091301 /nfs/dbraw/zinc/09/13/01/398091301.db2.gz FVWBCCGKFRQVJJ-VXGBXAGGSA-N 2 0 239.319 0.355 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000224886489 171243844 /nfs/dbraw/zinc/24/38/44/171243844.db2.gz VMHLYPMSNLJYHU-OPRDCNLKSA-N 2 0 213.325 0.310 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000384744257 398104139 /nfs/dbraw/zinc/10/41/39/398104139.db2.gz LSUGNOGZVAESQE-FIQHERPVSA-N 2 0 230.352 0.896 20 0 BCADRP C[C@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000566120070 398096685 /nfs/dbraw/zinc/09/66/85/398096685.db2.gz GBURKBASCGYWBD-QWRGUYRKSA-N 2 0 200.326 0.689 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236929478 398117732 /nfs/dbraw/zinc/11/77/32/398117732.db2.gz YNMRECXAUZJGNW-WOPDTQHZSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000236937550 398118334 /nfs/dbraw/zinc/11/83/34/398118334.db2.gz JAICIVGZINGAJC-ZJUUUORDSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638507908 398109544 /nfs/dbraw/zinc/10/95/44/398109544.db2.gz JJQLWBBYTVTYIS-AXFHLTTASA-N 2 0 237.347 0.385 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638509475 398110683 /nfs/dbraw/zinc/11/06/83/398110683.db2.gz VNWXFPPPPQTXTH-AXFHLTTASA-N 2 0 237.347 0.515 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc(C[NH3+])o1 ZINC000237644663 398112986 /nfs/dbraw/zinc/11/29/86/398112986.db2.gz OAPLUALBYPAVHL-DTWKUNHWSA-N 2 0 237.303 0.561 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000627158052 398114788 /nfs/dbraw/zinc/11/47/88/398114788.db2.gz HVAARXCNAPMNRZ-UMNHJUIQSA-N 2 0 240.351 0.178 20 0 BCADRP C[N@H+](CCCO)CC[C@@H]1CCC[NH+]1C ZINC000336691311 398133109 /nfs/dbraw/zinc/13/31/09/398133109.db2.gz PTKKXWHBUATZAA-NSHDSACASA-N 2 0 200.326 0.785 20 0 BCADRP C[NH2+]CCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000237258853 173349007 /nfs/dbraw/zinc/34/90/07/173349007.db2.gz RCCGCYCZRISDBG-NSHDSACASA-N 2 0 213.325 0.244 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000237246128 173363582 /nfs/dbraw/zinc/36/35/82/173363582.db2.gz KZXCECBYMQQHNO-MWLCHTKSSA-N 2 0 215.341 0.332 20 0 BCADRP COC[C@H](C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)OC ZINC000662275921 487529380 /nfs/dbraw/zinc/52/93/80/487529380.db2.gz FPBUJNBHJOQGSR-QWHCGFSZSA-N 2 0 242.363 0.723 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CCCC[NH3+] ZINC000227833451 487560630 /nfs/dbraw/zinc/56/06/30/487560630.db2.gz WQMFIXHILASDML-LLVKDONJSA-N 2 0 229.368 0.962 20 0 BCADRP CC[C@H](CCO)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000094953530 487565204 /nfs/dbraw/zinc/56/52/04/487565204.db2.gz ONNXMUBVJGBJDQ-CHWSQXEVSA-N 2 0 244.379 0.441 20 0 BCADRP CC[C@@H](CCO)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000094953529 487565226 /nfs/dbraw/zinc/56/52/26/487565226.db2.gz ONNXMUBVJGBJDQ-QWHCGFSZSA-N 2 0 244.379 0.441 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000086853420 487566260 /nfs/dbraw/zinc/56/62/60/487566260.db2.gz PREPKLZGVZUNMT-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000162439202 487569419 /nfs/dbraw/zinc/56/94/19/487569419.db2.gz HDWTZOFBNGIGHE-GMTAPVOTSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000249151803 487572717 /nfs/dbraw/zinc/57/27/17/487572717.db2.gz USURGALLSGKDOI-MMWGEVLESA-N 2 0 225.336 0.371 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[NH2+]CC1(C)C ZINC000393744222 487579108 /nfs/dbraw/zinc/57/91/08/487579108.db2.gz KEVNBYPATNINKX-VIFPVBQESA-N 2 0 213.325 0.052 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000082241602 487580321 /nfs/dbraw/zinc/58/03/21/487580321.db2.gz MHOIBQXMLYTPRU-LLVKDONJSA-N 2 0 225.336 0.293 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NC(C)(C)C[NH3+])C1 ZINC000082244832 487582090 /nfs/dbraw/zinc/58/20/90/487582090.db2.gz HCNBXPJIMPOUOB-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCN2C)CS1 ZINC000086936046 487587687 /nfs/dbraw/zinc/58/76/87/487587687.db2.gz KLESITKRKPYQMH-IJLUTSLNSA-N 2 0 243.420 0.716 20 0 BCADRP CC(C)NC(=O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000393838274 487587175 /nfs/dbraw/zinc/58/71/75/487587175.db2.gz DWIJCACWXPPBEM-AAEUAGOBSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](O)C[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000228106958 487587495 /nfs/dbraw/zinc/58/74/95/487587495.db2.gz YCNLZZTUWANTBC-SDDRHHMPSA-N 2 0 230.352 0.192 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000669391379 487596592 /nfs/dbraw/zinc/59/65/92/487596592.db2.gz WAFGWGLJHZSWLW-AXFHLTTASA-N 2 0 240.351 0.260 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000662411143 487601759 /nfs/dbraw/zinc/60/17/59/487601759.db2.gz ZDEYHQYPHOPYPL-GXSJLCMTSA-N 2 0 227.352 0.570 20 0 BCADRP CC(=O)N[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000228271784 487603151 /nfs/dbraw/zinc/60/31/51/487603151.db2.gz HREWKGKPORBDKE-CYBMUJFWSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]C1(CC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000398114263 487605451 /nfs/dbraw/zinc/60/54/51/487605451.db2.gz OJEBLFSTRUJEKI-UHFFFAOYSA-N 2 0 225.336 0.470 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662263397 409557801 /nfs/dbraw/zinc/55/78/01/409557801.db2.gz ARNAOUXCCJMYKQ-GRYCIOLGSA-N 3 0 239.363 0.177 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662266322 409563716 /nfs/dbraw/zinc/56/37/16/409563716.db2.gz LZKVBSZIELGXRV-SDDRHHMPSA-N 3 0 239.363 0.177 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)OC ZINC000662266264 409565494 /nfs/dbraw/zinc/56/54/94/409565494.db2.gz LAFZUYMLVBAFOA-RYUDHWBXSA-N 2 0 228.336 0.333 20 0 BCADRP C[C@@H]1CSCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254124 409553216 /nfs/dbraw/zinc/55/32/16/409553216.db2.gz FZUYUTFCOWSUFW-MNOVXSKESA-N 2 0 242.388 0.945 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662317406 409636834 /nfs/dbraw/zinc/63/68/34/409636834.db2.gz ONEJLOGUTWSGBE-FRRDWIJNSA-N 2 0 224.348 0.954 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662317408 409637307 /nfs/dbraw/zinc/63/73/07/409637307.db2.gz ONEJLOGUTWSGBE-UPJWGTAASA-N 2 0 224.348 0.954 20 0 BCADRP CO[C@@H](C[N@@H+]1CCCO[C@@H](C[NH3+])C1)C1CCC1 ZINC000662280697 409600031 /nfs/dbraw/zinc/60/00/31/409600031.db2.gz GYZWQTCKIMLPQY-STQMWFEESA-N 2 0 242.363 0.851 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2C[C@@H]1C[NH2+]CCO1 ZINC000662282484 409606519 /nfs/dbraw/zinc/60/65/19/409606519.db2.gz ACXWLMBVEBABLN-CPCZMJQVSA-N 2 0 239.363 0.178 20 0 BCADRP [NH3+]CCC1CC[NH+](C[C@@H]2CNCCO2)CC1 ZINC000662282492 409606911 /nfs/dbraw/zinc/60/69/11/409606911.db2.gz AMHWDWUZIQTTBY-LBPRGKRZSA-N 2 0 227.352 0.036 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662427474 409712420 /nfs/dbraw/zinc/71/24/20/409712420.db2.gz HKOFBBXVQOCKJS-DCAQKATOSA-N 2 0 227.352 0.556 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2[NH2+]CCC2(C)C)CC[NH2+]1 ZINC000662416825 409704968 /nfs/dbraw/zinc/70/49/68/409704968.db2.gz BSIIILDISPDYFS-VHSXEESVSA-N 2 0 225.336 0.195 20 0 BCADRP [NH3+]CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662389801 409692185 /nfs/dbraw/zinc/69/21/85/409692185.db2.gz DWXFBJYZMHCADC-LLVKDONJSA-N 2 0 219.288 0.296 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000662605687 409781459 /nfs/dbraw/zinc/78/14/59/409781459.db2.gz QHZPSRRHAGUXHZ-NSHDSACASA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000662515996 409743340 /nfs/dbraw/zinc/74/33/40/409743340.db2.gz XSMCKDLLSUPENE-PHIMTYICSA-N 2 0 225.336 0.337 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000662530125 409746703 /nfs/dbraw/zinc/74/67/03/409746703.db2.gz JBNNAHUYUDLIQR-LLVKDONJSA-N 2 0 225.336 0.291 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000662566482 409760249 /nfs/dbraw/zinc/76/02/49/409760249.db2.gz VEIQJHUKUJNUTQ-ZJUUUORDSA-N 2 0 225.336 0.243 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662602758 409776568 /nfs/dbraw/zinc/77/65/68/409776568.db2.gz QCXPCRYUNKCZST-WDEREUQCSA-N 2 0 239.363 0.713 20 0 BCADRP Cc1nccn1CCN1CCO[C@H]([C@H](C)O)C1 ZINC000660809893 409778526 /nfs/dbraw/zinc/77/85/26/409778526.db2.gz AIGRSHUAQCHGBQ-JQWIXIFHSA-N 2 0 239.319 0.273 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)CC1([NH3+])CC1 ZINC000662433257 409715306 /nfs/dbraw/zinc/71/53/06/409715306.db2.gz ZEWDVDUFJOAFRU-VIFPVBQESA-N 2 0 213.325 0.502 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000655246938 409717517 /nfs/dbraw/zinc/71/75/17/409717517.db2.gz QAEZPKQOSHWGSC-TUAOUCFPSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653115775 409829744 /nfs/dbraw/zinc/82/97/44/409829744.db2.gz ZNEOFFGQVPGGOX-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653134964 409855059 /nfs/dbraw/zinc/85/50/59/409855059.db2.gz OCKWLLRYHUPINM-KXNHARMFSA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662683285 409833720 /nfs/dbraw/zinc/83/37/20/409833720.db2.gz QKOQYDZCRWUMER-ZUXSNHBTSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)C1CC1 ZINC000653127495 409838045 /nfs/dbraw/zinc/83/80/45/409838045.db2.gz DGCXLSLHOZKVMY-UTUOFQBUSA-N 2 0 237.347 0.371 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000653127527 409839134 /nfs/dbraw/zinc/83/91/34/409839134.db2.gz HHPNARPUJADYMU-MNOVXSKESA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000653128574 409841131 /nfs/dbraw/zinc/84/11/31/409841131.db2.gz LWJXDLNDDQGEQU-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CC[NH2+]1 ZINC000662695045 409843845 /nfs/dbraw/zinc/84/38/45/409843845.db2.gz WTOFBZQNOCIMNZ-VXGBXAGGSA-N 2 0 239.363 0.585 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653130831 409847444 /nfs/dbraw/zinc/84/74/44/409847444.db2.gz CDXQEXXFHJLDSU-STQMWFEESA-N 2 0 249.358 0.553 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653133587 409849843 /nfs/dbraw/zinc/84/98/43/409849843.db2.gz RIJYMFGQBRZANK-QJPTWQEYSA-N 2 0 239.363 0.762 20 0 BCADRP O=C(NCC[NH+]1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000653105785 409798997 /nfs/dbraw/zinc/79/89/97/409798997.db2.gz JPOVTQYTXBVUGK-GFCCVEGCSA-N 2 0 239.363 0.588 20 0 BCADRP C[C@@H](CCNC(=O)[C@H]([NH3+])C1CCC1)[NH+](C)C ZINC000662632587 409803764 /nfs/dbraw/zinc/80/37/64/409803764.db2.gz FMZDAKIKQMDKLJ-GXSJLCMTSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](CCNC(=O)[C@H]1[NH2+]CC1(C)C)[NH+](C)C ZINC000662636500 409807264 /nfs/dbraw/zinc/80/72/64/409807264.db2.gz YVTXKVMOHIVNMR-NXEZZACHSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653135660 409854259 /nfs/dbraw/zinc/85/42/59/409854259.db2.gz LJORTDUHFWUBBI-SRVKXCTJSA-N 2 0 239.363 0.633 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653110457 409813832 /nfs/dbraw/zinc/81/38/32/409813832.db2.gz JCXDKWQAFURGDC-VXGBXAGGSA-N 2 0 239.363 0.444 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662781519 409905484 /nfs/dbraw/zinc/90/54/84/409905484.db2.gz CGYNBYFRDPKFPV-ZETCQYMHSA-N 2 0 240.307 0.336 20 0 BCADRP CC[N@H+](CCOCC[NH3+])C[C@@H]1CCOC1 ZINC000308805247 409906013 /nfs/dbraw/zinc/90/60/13/409906013.db2.gz OIRONVBRAKKSRK-NSHDSACASA-N 2 0 216.325 0.320 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662783312 409912397 /nfs/dbraw/zinc/91/23/97/409912397.db2.gz DYBNDGPJRLKHOA-GUBZILKMSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H](NC(=O)C1([NH3+])CC2(CCC2)C1)[C@H](C)[NH3+] ZINC000662782355 409913748 /nfs/dbraw/zinc/91/37/48/409913748.db2.gz JCCRSXCLAWHECK-DTWKUNHWSA-N 2 0 225.336 0.500 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653139379 409861561 /nfs/dbraw/zinc/86/15/61/409861561.db2.gz BYEJQEUCKCYFNU-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653144531 409866362 /nfs/dbraw/zinc/86/63/62/409866362.db2.gz YNBYGXXWCTUDPS-ADEWGFFLSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CCC[NH2+]CC1)[C@H](C)[NH3+] ZINC000653144271 409866526 /nfs/dbraw/zinc/86/65/26/409866526.db2.gz MBOFTMUHVQVMKZ-IVZWLZJFSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653144934 409868712 /nfs/dbraw/zinc/86/87/12/409868712.db2.gz MQQQYMFBJXVVLY-HLFFCZDVSA-N 2 0 225.336 0.369 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662730784 409874369 /nfs/dbraw/zinc/87/43/69/409874369.db2.gz PLJZGOVPMJNANY-IJLUTSLNSA-N 2 0 241.379 0.864 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662746395 409880198 /nfs/dbraw/zinc/88/01/98/409880198.db2.gz KVRXIWYVYIPELX-FXPVBKGRSA-N 2 0 231.315 0.402 20 0 BCADRP C[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000308588242 409886931 /nfs/dbraw/zinc/88/69/31/409886931.db2.gz JHFAJDWTFHBEPE-DCAQKATOSA-N 2 0 200.326 0.830 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662764632 409887864 /nfs/dbraw/zinc/88/78/64/409887864.db2.gz LKXXOFRHGRCDOT-HBNTYKKESA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662764631 409888449 /nfs/dbraw/zinc/88/84/49/409888449.db2.gz LKXXOFRHGRCDOT-GARJFASQSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)C[C@H]2CC[NH2+]C2)[C@H]1C ZINC000662775114 409895902 /nfs/dbraw/zinc/89/59/02/409895902.db2.gz PYPDCSBSZZJAFJ-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H]2CCC[NH2+]CC2)CCCC1 ZINC000662863335 409957089 /nfs/dbraw/zinc/95/70/89/409957089.db2.gz OKVQDPAUHDUVLV-NSHDSACASA-N 2 0 239.363 0.764 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000662910592 409977277 /nfs/dbraw/zinc/97/72/77/409977277.db2.gz PTAQWAAYDFIJQL-WYUUTHIRSA-N 2 0 237.347 0.052 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000662952831 409986468 /nfs/dbraw/zinc/98/64/68/409986468.db2.gz HWIQBALCQWFZRO-USZNOCQGSA-N 2 0 239.363 0.631 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000662954190 409988461 /nfs/dbraw/zinc/98/84/61/409988461.db2.gz SRZUDLLAYRAELU-PWSUYJOCSA-N 2 0 235.331 0.281 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000662953880 409988485 /nfs/dbraw/zinc/98/84/85/409988485.db2.gz QRDVUTKWTXPWDX-MFKMUULPSA-N 2 0 247.342 0.598 20 0 BCADRP C[C@H]1CCCN(C(=O)CC2([NH3+])CC2)[C@H]1CC[NH3+] ZINC000662828604 409936706 /nfs/dbraw/zinc/93/67/06/409936706.db2.gz GAKQPOZNWSAVBA-QWRGUYRKSA-N 2 0 239.363 0.844 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@@H](C)[NH3+] ZINC000308918087 409937158 /nfs/dbraw/zinc/93/71/58/409937158.db2.gz BPXGSAGWUZCFJS-RKDXNWHRSA-N 2 0 201.314 0.213 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662834314 409943430 /nfs/dbraw/zinc/94/34/30/409943430.db2.gz FOBMYXJRFKQLLM-SDDRHHMPSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662834316 409943471 /nfs/dbraw/zinc/94/34/71/409943471.db2.gz FOBMYXJRFKQLLM-SRVKXCTJSA-N 2 0 239.363 0.727 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662839450 409948430 /nfs/dbraw/zinc/94/84/30/409948430.db2.gz QPRWLDURWSQYMO-UTUOFQBUSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@]1(NC(=O)[C@@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000663015733 410034475 /nfs/dbraw/zinc/03/44/75/410034475.db2.gz XQZUBQBOYOJFFC-PWSUYJOCSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000662965629 409996763 /nfs/dbraw/zinc/99/67/63/409996763.db2.gz RRKZUXDVFVDEES-ZJUUUORDSA-N 2 0 213.325 0.243 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000662969194 409998516 /nfs/dbraw/zinc/99/85/16/409998516.db2.gz YLVJPSCLUGVIFM-KXUCPTDWSA-N 2 0 213.325 0.099 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000309013592 487612955 /nfs/dbraw/zinc/61/29/55/487612955.db2.gz QBTHYYJPHZBXBS-UTLUCORTSA-N 2 0 213.325 0.193 20 0 BCADRP C[NH2+]CC(=O)NCCC[N@H+](C)CC(C)C ZINC000653176501 410151649 /nfs/dbraw/zinc/15/16/49/410151649.db2.gz WSEXVHMPEMNKFX-UHFFFAOYSA-N 2 0 215.341 0.300 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000653169410 410137500 /nfs/dbraw/zinc/13/75/00/410137500.db2.gz OPDYKCRRBKIRND-YSPJCORJSA-N 2 0 249.358 0.182 20 0 BCADRP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCC[NH2+]CC1 ZINC000655411698 410215167 /nfs/dbraw/zinc/21/51/67/410215167.db2.gz HLFFFLDBIXGEKI-AAEUAGOBSA-N 2 0 237.347 0.198 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655413045 410216006 /nfs/dbraw/zinc/21/60/06/410216006.db2.gz JTQZASNBLFUOQV-JQWIXIFHSA-N 2 0 225.336 0.102 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000653193190 410157963 /nfs/dbraw/zinc/15/79/63/410157963.db2.gz IMDXXYAJFWUHDI-KQXIARHKSA-N 2 0 237.347 0.311 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653193894 410159643 /nfs/dbraw/zinc/15/96/43/410159643.db2.gz LUDGGOYZYUUALS-MDZLAQPJSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653193862 410160288 /nfs/dbraw/zinc/16/02/88/410160288.db2.gz KGYMCFMPXQIZBN-NHCYSSNCSA-N 2 0 225.336 0.169 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653197837 410160619 /nfs/dbraw/zinc/16/06/19/410160619.db2.gz WPFYPPLRWBOMOU-GVXVVHGQSA-N 2 0 239.363 0.429 20 0 BCADRP [NH3+]CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653194297 410160795 /nfs/dbraw/zinc/16/07/95/410160795.db2.gz BTNZLSWVTWPTRT-AAEUAGOBSA-N 2 0 239.363 0.703 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)CC[NH2+]C1CC1 ZINC000655415128 410218424 /nfs/dbraw/zinc/21/84/24/410218424.db2.gz JILYMNAAQWXQTF-UHFFFAOYSA-N 2 0 227.352 0.762 20 0 BCADRP [NH3+]CC1(CCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000653221049 410168635 /nfs/dbraw/zinc/16/86/35/410168635.db2.gz FOWHYNKOFHNUOS-GXFFZTMASA-N 2 0 237.347 0.231 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NCCC1(C[NH3+])CC1 ZINC000653221063 410169208 /nfs/dbraw/zinc/16/92/08/410169208.db2.gz GBBLBQJESSTQFI-UHFFFAOYSA-N 2 0 241.379 0.997 20 0 BCADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH3+])CC1 ZINC000653221134 410170015 /nfs/dbraw/zinc/17/00/15/410170015.db2.gz JTYXGMOVTKSYNL-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP C[C@@H]1CCCN(C(=O)CC[NH3+])[C@H]1CC[NH3+] ZINC000653233410 410175475 /nfs/dbraw/zinc/17/54/75/410175475.db2.gz WNKSUNXZLQLDQW-ZJUUUORDSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655415559 410219156 /nfs/dbraw/zinc/21/91/56/410219156.db2.gz WZAUKADPTNBRKS-WZRBSPASSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC(CC[NH3+])CC1 ZINC000653256434 410237160 /nfs/dbraw/zinc/23/71/60/410237160.db2.gz DPWBWSRLUPNMOT-UWVGGRQHSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)[NH+](C)C ZINC000655445986 410268543 /nfs/dbraw/zinc/26/85/43/410268543.db2.gz WJVSGEPOIIWKLR-NTZNESFSSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H](CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)[NH+](C)C ZINC000655445987 410268590 /nfs/dbraw/zinc/26/85/90/410268590.db2.gz WJVSGEPOIIWKLR-WZRBSPASSA-N 2 0 239.363 0.442 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)C1 ZINC000655416483 410220487 /nfs/dbraw/zinc/22/04/87/410220487.db2.gz VWXZJKCHSSXFFZ-LOWVWBTDSA-N 2 0 237.347 0.183 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655415282 410220633 /nfs/dbraw/zinc/22/06/33/410220633.db2.gz ACNSYCNMDBRVMJ-GMXVVIOVSA-N 2 0 237.347 0.244 20 0 BCADRP O=C(NCC[NH2+]C1CC1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655416376 410220830 /nfs/dbraw/zinc/22/08/30/410220830.db2.gz RGOCZUHDUNVZOP-DGCLKSJQSA-N 2 0 237.347 0.244 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655417648 410224226 /nfs/dbraw/zinc/22/42/26/410224226.db2.gz OSBWCHVORODFLJ-SKDRFNHKSA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655417645 410225013 /nfs/dbraw/zinc/22/50/13/410225013.db2.gz OSBWCHVORODFLJ-BXKDBHETSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)C1CC1 ZINC000655417556 410225577 /nfs/dbraw/zinc/22/55/77/410225577.db2.gz KLDUWLPQLSMXOT-GVXVVHGQSA-N 2 0 237.347 0.230 20 0 BCADRP C[C@@H]1CNC[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000650714246 410346967 /nfs/dbraw/zinc/34/69/67/410346967.db2.gz WZCIIPOMJCKCDX-QWRGUYRKSA-N 2 0 211.353 0.703 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000653266449 410305884 /nfs/dbraw/zinc/30/58/84/410305884.db2.gz AFUZJGCAVNRESU-GFCCVEGCSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H](C[C@H]1COCCN1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650747565 410388046 /nfs/dbraw/zinc/38/80/46/410388046.db2.gz CJUSWFGHBIDXKW-RYUDHWBXSA-N 2 0 241.379 0.472 20 0 BCADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650747564 410388101 /nfs/dbraw/zinc/38/81/01/410388101.db2.gz CJUSWFGHBIDXKW-NWDGAFQWSA-N 2 0 241.379 0.472 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000309222513 410459562 /nfs/dbraw/zinc/45/95/62/410459562.db2.gz YOVULUROVXCTKM-HTQZYQBOSA-N 2 0 235.278 0.179 20 0 BCADRP C[C@@H](CNC(=O)N(C)CC1C[NH+](C)C1)[NH+](C)C ZINC000661276202 410446084 /nfs/dbraw/zinc/44/60/84/410446084.db2.gz WETXVMRRQSZEPL-JTQLQIEISA-N 2 0 242.367 0.140 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000655457811 410522423 /nfs/dbraw/zinc/52/24/23/410522423.db2.gz FFQWEHJRAVETKU-CMPLNLGQSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000669395541 487617168 /nfs/dbraw/zinc/61/71/68/487617168.db2.gz RXGUBWMYTBVPGK-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP [NH3+]CC1(CC(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000653273075 410545208 /nfs/dbraw/zinc/54/52/08/410545208.db2.gz NPXYMCSUAQPPNX-UHFFFAOYSA-N 2 0 239.363 0.621 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000655465853 410666069 /nfs/dbraw/zinc/66/60/69/410666069.db2.gz PMEDLRWJLKXUIG-ONGXEEELSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ccc(N)nc2)C[C@@]1(C)C[NH3+] ZINC000647547912 410640665 /nfs/dbraw/zinc/64/06/65/410640665.db2.gz LDZHULGINSFWNB-ZWNOBZJWSA-N 2 0 234.347 1.081 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655463976 410651020 /nfs/dbraw/zinc/65/10/20/410651020.db2.gz BTTTZPQZJWDMMR-NTZNESFSSA-N 2 0 239.363 0.620 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655478946 410713365 /nfs/dbraw/zinc/71/33/65/410713365.db2.gz FFYVUSFJXRKVIQ-DGCLKSJQSA-N 2 0 239.363 0.444 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655479593 410715362 /nfs/dbraw/zinc/71/53/62/410715362.db2.gz FEEDGQZBQHPVFY-MFKMUULPSA-N 2 0 239.363 0.620 20 0 BCADRP COC[C@@H](CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)OC ZINC000665234372 410724523 /nfs/dbraw/zinc/72/45/23/410724523.db2.gz BUYUPWBAHJVMMI-UTUOFQBUSA-N 2 0 230.352 0.768 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)[C@@H](C)C[NH3+] ZINC000357179246 169769846 /nfs/dbraw/zinc/76/98/46/169769846.db2.gz UQYZDBNRNFUQHG-NSHDSACASA-N 2 0 229.368 0.819 20 0 BCADRP CCC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000665273898 410742834 /nfs/dbraw/zinc/74/28/34/410742834.db2.gz GKBULXNFVUWTKJ-SDDRHHMPSA-N 2 0 211.353 0.940 20 0 BCADRP Cc1cncc(CC[NH2+][C@H]2CCC[C@H]2[NH3+])n1 ZINC000665274748 410745587 /nfs/dbraw/zinc/74/55/87/410745587.db2.gz XKSJBEBKPRZGMK-NEPJUHHUSA-N 2 0 220.320 0.797 20 0 BCADRP CC(C)[C@H]([NH3+])CCN[C@@H]1C[N@H+](C)C[C@H]1C ZINC000665280679 410754588 /nfs/dbraw/zinc/75/45/88/410754588.db2.gz IZNGVUVYHKCFID-IJLUTSLNSA-N 2 0 213.369 0.900 20 0 BCADRP C[C@@H](NCC12CC(C1)C[NH2+]2)[C@H]1CCC[NH2+]1 ZINC000665280038 410755288 /nfs/dbraw/zinc/75/52/88/410755288.db2.gz RLMPQLJUTNTFGT-QTAHKJALSA-N 2 0 209.337 0.469 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665280246 410755385 /nfs/dbraw/zinc/75/53/85/410755385.db2.gz WRBAENYPGHTILJ-QTAHKJALSA-N 2 0 209.337 0.326 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000393789583 410761354 /nfs/dbraw/zinc/76/13/54/410761354.db2.gz CSDAEMHUYPUGMA-GFCCVEGCSA-N 2 0 222.336 0.884 20 0 BCADRP C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H](C)[NH3+] ZINC000655489438 410797147 /nfs/dbraw/zinc/79/71/47/410797147.db2.gz RWKRAZMJOKUJJL-YTWAJWBKSA-N 2 0 227.352 0.426 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000655488606 410797492 /nfs/dbraw/zinc/79/74/92/410797492.db2.gz DFZUNABGVILTBS-PHIMTYICSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000655489406 410798806 /nfs/dbraw/zinc/79/88/06/410798806.db2.gz QMDOJBOUSMZJOS-JGZJWPJOSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655488681 410801260 /nfs/dbraw/zinc/80/12/60/410801260.db2.gz FAXNLIAYFSJAMV-LPEHRKFASA-N 2 0 213.325 0.051 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111263398 169773853 /nfs/dbraw/zinc/77/38/53/169773853.db2.gz GLGNKIJDXPPJPJ-RYUDHWBXSA-N 2 0 241.379 0.690 20 0 BCADRP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000665298626 410829509 /nfs/dbraw/zinc/82/95/09/410829509.db2.gz ZERIFVVSIAGVBS-DCAQKATOSA-N 2 0 200.326 0.999 20 0 BCADRP C[NH2+]C[C@H](C)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000665298628 410830016 /nfs/dbraw/zinc/83/00/16/410830016.db2.gz ZERIFVVSIAGVBS-HBNTYKKESA-N 2 0 200.326 0.999 20 0 BCADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)CC[NH3+] ZINC000019268041 169775863 /nfs/dbraw/zinc/77/58/63/169775863.db2.gz STDAJBKLWWOHBX-LLVKDONJSA-N 2 0 229.368 0.962 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000040673744 410885589 /nfs/dbraw/zinc/88/55/89/410885589.db2.gz JZSKLHSVANDEKC-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000655494653 410874382 /nfs/dbraw/zinc/87/43/82/410874382.db2.gz LYJWZNVDTVKWNJ-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396446563 410882803 /nfs/dbraw/zinc/88/28/03/410882803.db2.gz CTPSTJWCSQATQB-CMPLNLGQSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000082462783 167003483 /nfs/dbraw/zinc/00/34/83/167003483.db2.gz RSVGUBNOHITPID-UHFFFAOYSA-N 2 0 214.353 0.936 20 0 BCADRP CC(C)N1C[C@@H]([NH2+][C@@H]2CN(C)C[C@H]2C)CC1=O ZINC000358150681 167031797 /nfs/dbraw/zinc/03/17/97/167031797.db2.gz ILZNLWLQSIZDSQ-GRYCIOLGSA-N 2 0 239.363 0.535 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062887509 169779397 /nfs/dbraw/zinc/77/93/97/169779397.db2.gz MQOHDNFELGEFIH-GFCCVEGCSA-N 2 0 227.352 0.444 20 0 BCADRP CC(C)NC(=O)C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000051919321 167049210 /nfs/dbraw/zinc/04/92/10/167049210.db2.gz ILRKCNUJHGLRIL-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)OC[C@H](C)[NH2+]C[C@H]1CN(C)CCN1C ZINC000337346120 167265086 /nfs/dbraw/zinc/26/50/86/167265086.db2.gz VUYIEMPJUIZNOB-STQMWFEESA-N 2 0 243.395 0.635 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000129906636 167341559 /nfs/dbraw/zinc/34/15/59/167341559.db2.gz LRLMLMCMLWTKSD-NEPJUHHUSA-N 2 0 241.379 0.688 20 0 BCADRP CC(C)[C@@H](C(=O)N1CCC(C[NH3+])CC1)[NH+](C)C ZINC000236710627 167342249 /nfs/dbraw/zinc/34/22/49/167342249.db2.gz CVYLBVQINLQVJX-LBPRGKRZSA-N 2 0 241.379 0.770 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H](C[NH3+])C(C)C ZINC000336697770 167395563 /nfs/dbraw/zinc/39/55/63/167395563.db2.gz ZHQVWQJLHRSLII-ZJUUUORDSA-N 2 0 215.341 0.317 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NC1CC[NH+](C)CC1 ZINC000044800958 167395701 /nfs/dbraw/zinc/39/57/01/167395701.db2.gz BWHVAGKZODQXQB-LLVKDONJSA-N 2 0 227.352 0.428 20 0 BCADRP [NH3+][C@@H](C(=O)NCc1c[nH]cn1)C1CCC1 ZINC000399021438 411008970 /nfs/dbraw/zinc/00/89/70/411008970.db2.gz IDPNGITVCOZRKS-SECBINFHSA-N 2 0 208.265 0.153 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661623329 411077968 /nfs/dbraw/zinc/07/79/68/411077968.db2.gz ZMKMYSIGPSKWHS-QNWHQSFQSA-N 2 0 244.379 0.248 20 0 BCADRP [NH3+]CCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655961348 411162994 /nfs/dbraw/zinc/16/29/94/411162994.db2.gz OIZUSIJMHHNVOO-QWRGUYRKSA-N 2 0 240.351 0.261 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538955 411137366 /nfs/dbraw/zinc/13/73/66/411137366.db2.gz BAZFUDSHGWZUKR-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655967786 411164102 /nfs/dbraw/zinc/16/41/02/411164102.db2.gz DQQNQQSBNCUOKE-DBIOUOCHSA-N 2 0 242.367 0.362 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000659549717 411152444 /nfs/dbraw/zinc/15/24/44/411152444.db2.gz ODGXPLIHXVUUFF-KXUCPTDWSA-N 2 0 230.356 0.395 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000659549718 411152549 /nfs/dbraw/zinc/15/25/49/411152549.db2.gz ODGXPLIHXVUUFF-LPEHRKFASA-N 2 0 230.356 0.395 20 0 BCADRP [NH3+]C1(CNC(=O)C[C@@H]2CCC[NH2+]2)CCC1 ZINC000309552553 411152879 /nfs/dbraw/zinc/15/28/79/411152879.db2.gz KYFGXHZCCOVGGF-VIFPVBQESA-N 2 0 211.309 0.126 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCC1([NH3+])CCCC1 ZINC000659551231 411156578 /nfs/dbraw/zinc/15/65/78/411156578.db2.gz UBKLOXBELLUSGW-SECBINFHSA-N 2 0 228.340 0.294 20 0 BCADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](COC)OC)C1 ZINC000659989627 411159231 /nfs/dbraw/zinc/15/92/31/411159231.db2.gz PWYUNFPPFUIAAB-OLZOCXBDSA-N 2 0 244.379 0.921 20 0 BCADRP CC[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000309381023 411120925 /nfs/dbraw/zinc/12/09/25/411120925.db2.gz DIDQKLCHAYJUDQ-UTUOFQBUSA-N 2 0 211.353 0.655 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000309399761 411162717 /nfs/dbraw/zinc/16/27/17/411162717.db2.gz HEJFREQJIHBRDP-IVZWLZJFSA-N 2 0 213.325 0.165 20 0 BCADRP OCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000400989608 411168392 /nfs/dbraw/zinc/16/83/92/411168392.db2.gz XKYXAGPYWKHKDO-GRYCIOLGSA-N 2 0 224.348 0.737 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000652213314 411172649 /nfs/dbraw/zinc/17/26/49/411172649.db2.gz KPFYXBODENLZAZ-LLVKDONJSA-N 2 0 242.367 0.461 20 0 BCADRP C[C@H]([NH3+])CNC(=O)NCCC1CC[NH2+]CC1 ZINC000652218141 411173120 /nfs/dbraw/zinc/17/31/20/411173120.db2.gz YDKQGLOIFJIWTR-VIFPVBQESA-N 2 0 228.340 0.023 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)NCCC1CC[NH2+]CC1 ZINC000652218140 411173201 /nfs/dbraw/zinc/17/32/01/411173201.db2.gz YDKQGLOIFJIWTR-SECBINFHSA-N 2 0 228.340 0.023 20 0 BCADRP C[C@H](CCO)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401032882 411173641 /nfs/dbraw/zinc/17/36/41/411173641.db2.gz XOZFWXQUHXFFLX-FVCCEPFGSA-N 2 0 226.364 0.983 20 0 BCADRP c1cn(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000401050064 411174146 /nfs/dbraw/zinc/17/41/46/411174146.db2.gz XVDDRXPGYNRDBG-YNEHKIRRSA-N 2 0 249.362 0.646 20 0 BCADRP CC(C)[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401059992 411174753 /nfs/dbraw/zinc/17/47/53/411174753.db2.gz JEENTRDGAIBSEG-UMSGYPCISA-N 2 0 226.364 0.981 20 0 BCADRP c1n[nH]cc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401080203 411176091 /nfs/dbraw/zinc/17/60/91/411176091.db2.gz ODJOAECADRXSFC-RWMBFGLXSA-N 2 0 234.347 0.930 20 0 BCADRP c1cn(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000401117415 411176767 /nfs/dbraw/zinc/17/67/67/411176767.db2.gz IQXUACAQLSGQLO-JHJVBQTASA-N 2 0 234.347 0.861 20 0 BCADRP Cn1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000401146128 411178353 /nfs/dbraw/zinc/17/83/53/411178353.db2.gz VGAIXMBVPIVBHU-YNEHKIRRSA-N 2 0 234.347 0.898 20 0 BCADRP C[C@H](CO)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401165889 411179103 /nfs/dbraw/zinc/17/91/03/411179103.db2.gz VDQPSEOYFAMMQZ-IRCOFANPSA-N 2 0 212.337 0.593 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000659289896 411181153 /nfs/dbraw/zinc/18/11/53/411181153.db2.gz FOFDRSDHBUWQIN-JQWIXIFHSA-N 2 0 245.367 0.228 20 0 BCADRP CCNC(=O)C[N@H+](C)CCC1CC[NH2+]CC1 ZINC000049727329 411243479 /nfs/dbraw/zinc/24/34/79/411243479.db2.gz GYUFDUKBFBFRTP-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP [NH3+]C[C@H](NC(=O)CC[NH2+]C1CC1)C(F)(F)F ZINC000655517099 411187050 /nfs/dbraw/zinc/18/70/50/411187050.db2.gz DIUQDDAYKOSHIZ-ZETCQYMHSA-N 2 0 239.241 0.134 20 0 BCADRP C[C@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)S(C)(=O)=O ZINC000656153765 411188409 /nfs/dbraw/zinc/18/84/09/411188409.db2.gz MUDBPTWCMVDDDK-MXWKQRLJSA-N 2 0 248.392 0.349 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000656193014 411198196 /nfs/dbraw/zinc/19/81/96/411198196.db2.gz HVIDDIDJEZTTJR-MMWGEVLESA-N 2 0 215.316 0.546 20 0 BCADRP C[C@]1(CN[C@H](C[NH3+])C(F)(F)F)CC[NH2+]C1 ZINC000656194690 411202268 /nfs/dbraw/zinc/20/22/68/411202268.db2.gz NZLILCTWFZKFLG-SFYZADRCSA-N 2 0 225.258 0.465 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656200264 411203788 /nfs/dbraw/zinc/20/37/88/411203788.db2.gz KPDREHRSEJMFBA-NDBYEHHHSA-N 2 0 225.380 0.914 20 0 BCADRP CCO[C@H]1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000652337233 411203905 /nfs/dbraw/zinc/20/39/05/411203905.db2.gz XIBLINHYYBRCLO-RYUDHWBXSA-N 2 0 230.352 0.458 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000652338642 411204392 /nfs/dbraw/zinc/20/43/92/411204392.db2.gz KFPSGHXJWYKFME-QWHCGFSZSA-N 2 0 243.395 0.230 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000652341124 411205275 /nfs/dbraw/zinc/20/52/75/411205275.db2.gz ICSKUAQXHRNRNN-CHWSQXEVSA-N 2 0 241.379 0.032 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000652341829 411205280 /nfs/dbraw/zinc/20/52/80/411205280.db2.gz XZFZWYVQWRIHNN-ZIAGYGMSSA-N 2 0 249.358 0.841 20 0 BCADRP Cn1cnc(CCC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000656200449 411205374 /nfs/dbraw/zinc/20/53/74/411205374.db2.gz QDCQNKOPAUELLE-WDEREUQCSA-N 2 0 237.351 0.607 20 0 BCADRP COCCC[NH+]1CCC([NH2+]CCOC)CC1 ZINC000652344758 411208338 /nfs/dbraw/zinc/20/83/38/411208338.db2.gz OXGZKRWJINPVEH-UHFFFAOYSA-N 2 0 230.352 0.723 20 0 BCADRP COCC[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000652344637 411208951 /nfs/dbraw/zinc/20/89/51/411208951.db2.gz WNXIKSSEKCVDRL-GFCCVEGCSA-N 2 0 242.363 0.723 20 0 BCADRP [NH3+]CCN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349253 411211055 /nfs/dbraw/zinc/21/10/55/411211055.db2.gz HVDDOKXVRZOAJX-TUAOUCFPSA-N 2 0 227.352 0.163 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000652353136 411211885 /nfs/dbraw/zinc/21/18/85/411211885.db2.gz GCSJPDVAVGQHGF-CHWSQXEVSA-N 2 0 244.379 0.846 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000237849990 411224582 /nfs/dbraw/zinc/22/45/82/411224582.db2.gz JGSZLKFNSGTABU-LLVKDONJSA-N 2 0 239.363 0.845 20 0 BCADRP CC(C)[N@H+](C)CCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422884537 411233554 /nfs/dbraw/zinc/23/35/54/411233554.db2.gz XFYCVSAMCSYKIH-RYUDHWBXSA-N 2 0 213.369 0.914 20 0 BCADRP CC(C)C[C@@H](CN(C)C)[NH2+]C[C@@H](C)O ZINC000049555749 411240784 /nfs/dbraw/zinc/24/07/84/411240784.db2.gz UIPATMXMVHCQPG-MNOVXSKESA-N 2 0 202.342 0.933 20 0 BCADRP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)N(C)C ZINC000396728957 411240913 /nfs/dbraw/zinc/24/09/13/411240913.db2.gz CKCPMNKWIADHHO-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP CO[C@@H]1CCCN(C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000310542888 411241466 /nfs/dbraw/zinc/24/14/66/411241466.db2.gz RLSYKQAPQMGYRI-QWHCGFSZSA-N 2 0 244.379 0.798 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655964866 411165254 /nfs/dbraw/zinc/16/52/54/411165254.db2.gz HQAGPMINMBRWFJ-GARJFASQSA-N 2 0 242.367 0.363 20 0 BCADRP C1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CO1 ZINC000400904764 411165428 /nfs/dbraw/zinc/16/54/28/411165428.db2.gz ADJWNNOYCBIPDE-KKOKHZNYSA-N 2 0 210.321 0.753 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000655971233 411165519 /nfs/dbraw/zinc/16/55/19/411165519.db2.gz XSYOHNANSXAINV-GARJFASQSA-N 2 0 240.351 0.069 20 0 BCADRP [NH3+]CCCCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000309537527 411165873 /nfs/dbraw/zinc/16/58/73/411165873.db2.gz FTHLJZAFHYPUDP-NXEZZACHSA-N 2 0 213.325 0.502 20 0 BCADRP CC[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400968056 411166486 /nfs/dbraw/zinc/16/64/86/411166486.db2.gz CPQNUEDJHSQNSO-IRCOFANPSA-N 2 0 212.337 0.735 20 0 BCADRP COC[C@H](CCO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400981387 411167207 /nfs/dbraw/zinc/16/72/07/411167207.db2.gz VQWLETSYKFPSRO-RVMXOQNASA-N 2 0 242.363 0.362 20 0 BCADRP O[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCOC1 ZINC000400970641 411167627 /nfs/dbraw/zinc/16/76/27/411167627.db2.gz MLHOYRKXPJHFBJ-XQHKEYJVSA-N 2 0 240.347 0.116 20 0 BCADRP O[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCOC1 ZINC000400970637 411167865 /nfs/dbraw/zinc/16/78/65/411167865.db2.gz MLHOYRKXPJHFBJ-LPWJVIDDSA-N 2 0 240.347 0.116 20 0 BCADRP c1c([C@H]2CCC[NH2+]C2)nnn1C1CC[NH2+]CC1 ZINC000656457341 411266306 /nfs/dbraw/zinc/26/63/06/411266306.db2.gz UIZRBNJGLXEATA-JTQLQIEISA-N 2 0 235.335 0.670 20 0 BCADRP C[C@@H](C[NH3+])n1cc(C2CC[NH2+]CC2)nn1 ZINC000656457827 411266998 /nfs/dbraw/zinc/26/69/98/411266998.db2.gz GOJCHTPXAJGKPZ-QMMMGPOBSA-N 2 0 209.297 0.265 20 0 BCADRP [NH3+]CCCCCn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000656452365 411274062 /nfs/dbraw/zinc/27/40/62/411274062.db2.gz FEWUOCQFOMQBOU-LLVKDONJSA-N 2 0 237.351 0.874 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000659641249 411275559 /nfs/dbraw/zinc/27/55/59/411275559.db2.gz FPWOLJAZORKCCH-OPRDCNLKSA-N 2 0 228.340 0.163 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)C[NH2+]C ZINC000659641229 411275928 /nfs/dbraw/zinc/27/59/28/411275928.db2.gz FHDXLIVBUBHCBJ-WDEREUQCSA-N 2 0 242.367 0.378 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000659642185 411277438 /nfs/dbraw/zinc/27/74/38/411277438.db2.gz JTASSOOJHGNRTL-QWRGUYRKSA-N 2 0 242.367 0.330 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)C[NH2+]C ZINC000659642458 411277548 /nfs/dbraw/zinc/27/75/48/411277548.db2.gz KOVQFQPUKLEUSO-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP [NH3+]CCCCc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656467284 411279717 /nfs/dbraw/zinc/27/97/17/411279717.db2.gz MXELRPFGYQSUHM-NSHDSACASA-N 2 0 223.324 0.484 20 0 BCADRP [NH3+]Cc1cccc(-c2cn([C@@H]3CC[NH2+]C3)nn2)c1 ZINC000656468249 411280498 /nfs/dbraw/zinc/28/04/98/411280498.db2.gz YCOQFNLGCJXXTB-GFCCVEGCSA-N 2 0 243.314 0.938 20 0 BCADRP C[C@@H]1CC[C@@H](C[N@H+](C)CCN2CC[NH2+]CC2)O1 ZINC000129383586 411280667 /nfs/dbraw/zinc/28/06/67/411280667.db2.gz YUQYMVZRTCEESC-OLZOCXBDSA-N 2 0 241.379 0.391 20 0 BCADRP CC[C@@](C)([NH3+])c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656468693 411280896 /nfs/dbraw/zinc/28/08/96/411280896.db2.gz RCUAAASUPCGXTR-GXSJLCMTSA-N 2 0 223.324 0.787 20 0 BCADRP c1c(C[C@H]2CCC[NH2+]C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000656468736 411280963 /nfs/dbraw/zinc/28/09/63/411280963.db2.gz RGMDBXGNQSPISU-ZYHUDNBSSA-N 2 0 235.335 0.355 20 0 BCADRP c1c(C2CC[NH2+]CC2)nnn1[C@H]1CC[NH2+]C1 ZINC000656468631 411280990 /nfs/dbraw/zinc/28/09/90/411280990.db2.gz PSEOIPHXSZOKFD-JTQLQIEISA-N 2 0 221.308 0.280 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)[NH+](C)C ZINC000649359076 411281434 /nfs/dbraw/zinc/28/14/34/411281434.db2.gz NGFDRDINFBRMCC-GUBZILKMSA-N 2 0 213.325 0.051 20 0 BCADRP CC[C@@H]1CN(C(=O)C2([NH3+])CC2)CC[C@H]1[NH3+] ZINC000393734754 411282499 /nfs/dbraw/zinc/28/24/99/411282499.db2.gz ASOHOKQKTNGETF-RKDXNWHRSA-N 2 0 211.309 0.064 20 0 BCADRP C[C@@H]([NH3+])CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000381043924 411284169 /nfs/dbraw/zinc/28/41/69/411284169.db2.gz CUSDMFNBAUZSNC-MRVPVSSYSA-N 2 0 207.277 0.821 20 0 BCADRP C[N@@H+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1(C)C ZINC000070650495 411284193 /nfs/dbraw/zinc/28/41/93/411284193.db2.gz GHYJYMOKKWCXLR-NSHDSACASA-N 2 0 227.352 0.001 20 0 BCADRP CC(C)[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000051889524 411285292 /nfs/dbraw/zinc/28/52/92/411285292.db2.gz NMOSZJJWOWJLFG-GFCCVEGCSA-N 2 0 211.353 0.622 20 0 BCADRP CCNC(=O)C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000051919222 411286501 /nfs/dbraw/zinc/28/65/01/411286501.db2.gz TYFPHOWUZKUHRB-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP Cc1ncccc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000310856833 411289476 /nfs/dbraw/zinc/28/94/76/411289476.db2.gz PNBUIGGWDKQMOP-UHFFFAOYSA-N 2 0 248.374 0.727 20 0 BCADRP C[C@H](CNC(=O)C[NH2+]C1CC1)C[NH+]1CCCC1 ZINC000062076586 411329270 /nfs/dbraw/zinc/32/92/70/411329270.db2.gz IAUFUBGNZISXOL-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000062899022 411329340 /nfs/dbraw/zinc/32/93/40/411329340.db2.gz QFAGZUYHVPHUGP-PWSUYJOCSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000659643293 411294012 /nfs/dbraw/zinc/29/40/12/411294012.db2.gz PYFQCTMUSMKSIG-GHMZBOCLSA-N 2 0 242.367 0.235 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000659302670 411294338 /nfs/dbraw/zinc/29/43/38/411294338.db2.gz IFWUKMREDASRSN-QWRGUYRKSA-N 2 0 227.352 0.713 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000659643807 411295294 /nfs/dbraw/zinc/29/52/94/411295294.db2.gz UNTVOTSRZLMALX-MNOVXSKESA-N 2 0 244.383 0.609 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000659644120 411296005 /nfs/dbraw/zinc/29/60/05/411296005.db2.gz VVJOIGBJTGZYHU-VWYCJHECSA-N 2 0 242.367 0.221 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(=O)N2)[C@H](C)C1 ZINC000658259670 411318099 /nfs/dbraw/zinc/31/80/99/411318099.db2.gz NGGNMRYGWZBUBD-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@]1(CN2CCC(C)([NH3+])CC2)CC[NH2+]C1 ZINC000309801093 411252727 /nfs/dbraw/zinc/25/27/27/411252727.db2.gz REENICHRTOPTSJ-NSHDSACASA-N 2 0 211.353 0.799 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)CC[N@@H+]1C ZINC000653444549 411256137 /nfs/dbraw/zinc/25/61/37/411256137.db2.gz QQMFKGSWCWEEOR-WHOHXGKFSA-N 2 0 239.363 0.665 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000062858944 411326760 /nfs/dbraw/zinc/32/67/60/411326760.db2.gz XMLZEYSQEANKNE-AAEUAGOBSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]CCCCn1cc(C2CC[NH2+]CC2)nn1 ZINC000656439675 411257264 /nfs/dbraw/zinc/25/72/64/411257264.db2.gz SJDJORPFAVOHTN-UHFFFAOYSA-N 2 0 223.324 0.484 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CCC(=O)N(C)CC1 ZINC000656792249 411372720 /nfs/dbraw/zinc/37/27/20/411372720.db2.gz PZPMHLUGTHXPKO-NSHDSACASA-N 2 0 227.352 0.524 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000660616469 411355880 /nfs/dbraw/zinc/35/58/80/411355880.db2.gz LOGFAQXVXXSOFM-QWHCGFSZSA-N 2 0 242.363 0.675 20 0 BCADRP [NH3+]C1(C[NH2+]CC2CC[NH2+]CC2)CCCC1 ZINC000656789488 411369558 /nfs/dbraw/zinc/36/95/58/411369558.db2.gz OURXLKCONLZVHF-UHFFFAOYSA-N 3 0 211.353 0.847 20 0 BCADRP C[C@H](CC(=O)N(C)C)[NH2+]CC1([NH3+])CCCC1 ZINC000656789689 411370160 /nfs/dbraw/zinc/37/01/60/411370160.db2.gz VMCMUGWRJMPCRC-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP C[N@H+](CC1CC[NH2+]CC1)C[C@@H]1COCCO1 ZINC000656790578 411370357 /nfs/dbraw/zinc/37/03/57/411370357.db2.gz BIJHLFSMKWBUPY-GFCCVEGCSA-N 2 0 228.336 0.333 20 0 BCADRP C[C@@H]1C[C@H](C[N@H+](C)C[C@H]2COCCO2)CC[NH2+]1 ZINC000656790586 411371061 /nfs/dbraw/zinc/37/10/61/411371061.db2.gz BSEVCROAIRLBNZ-UPJWGTAASA-N 2 0 242.363 0.722 20 0 BCADRP CCCNC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000070188592 411371313 /nfs/dbraw/zinc/37/13/13/411371313.db2.gz LKESHDGDIXTGPH-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1C[C@@H](C[N@H+](C)C[C@@H]2COCCO2)CC[NH2+]1 ZINC000656790584 411371286 /nfs/dbraw/zinc/37/12/86/411371286.db2.gz BSEVCROAIRLBNZ-FRRDWIJNSA-N 2 0 242.363 0.722 20 0 BCADRP CC1(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC000193362808 168058880 /nfs/dbraw/zinc/05/88/80/168058880.db2.gz YOAKOVRWTRQOOF-GHMZBOCLSA-N 2 0 239.363 0.762 20 0 BCADRP CC1CCN(C(=O)CN2CC[C@H](C[NH3+])C2)CC1 ZINC000050247216 168172751 /nfs/dbraw/zinc/17/27/51/168172751.db2.gz RDHDRGHHWUHAQK-GFCCVEGCSA-N 2 0 239.363 0.526 20 0 BCADRP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH+](C)C ZINC000353494873 168178056 /nfs/dbraw/zinc/17/80/56/168178056.db2.gz QZLVCDZJHLSXKP-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP CC1CC[NH+](CC(=O)N(C)CC[NH+](C)C)CC1 ZINC000121906494 168178066 /nfs/dbraw/zinc/17/80/66/168178066.db2.gz IHYDFKJIAOZZGD-UHFFFAOYSA-N 2 0 241.379 0.738 20 0 BCADRP CC1CC[NH+](CCNC(=O)CC[NH3+])CC1 ZINC000040772554 168180604 /nfs/dbraw/zinc/18/06/04/168180604.db2.gz LLLLRNWPQNFTSO-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP CC1CC[NH+](CCNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062115885 168181380 /nfs/dbraw/zinc/18/13/80/168181380.db2.gz QVUMLDLBTMOAPE-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[NH+](C)C)[C@H]1CC[NH3+] ZINC000404286500 411388905 /nfs/dbraw/zinc/38/89/05/411388905.db2.gz IGQDRFSVMHIZFA-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[NH+](C)C)[C@@H]1CC[NH3+] ZINC000404286498 411388980 /nfs/dbraw/zinc/38/89/80/411388980.db2.gz IGQDRFSVMHIZFA-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])COC(C)C ZINC000659296542 411390249 /nfs/dbraw/zinc/39/02/49/411390249.db2.gz FZUXFIKIFMTESG-QWRGUYRKSA-N 2 0 245.367 0.228 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000659493350 411459184 /nfs/dbraw/zinc/45/91/84/411459184.db2.gz FKXMBJCNVFYZLE-MNOVXSKESA-N 2 0 244.383 0.622 20 0 BCADRP CC(C)[NH2+]CC(=O)NCCC1CC[NH2+]CC1 ZINC000659330666 411395473 /nfs/dbraw/zinc/39/54/73/411395473.db2.gz TUGWXTSJIONUGT-UHFFFAOYSA-N 2 0 227.352 0.490 20 0 BCADRP CCNC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404424797 411396697 /nfs/dbraw/zinc/39/66/97/411396697.db2.gz KYUFWEWKVBTPIW-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000126883444 411460955 /nfs/dbraw/zinc/46/09/55/411460955.db2.gz DQODFOPTIOEVDE-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659347825 411400721 /nfs/dbraw/zinc/40/07/21/411400721.db2.gz KFUUNIJCAGPYQP-CYZMBNFOSA-N 2 0 247.342 0.596 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653044488 411401850 /nfs/dbraw/zinc/40/18/50/411401850.db2.gz IPJIKEOQSBDWJC-GRYCIOLGSA-N 2 0 237.347 0.385 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653044188 411402030 /nfs/dbraw/zinc/40/20/30/411402030.db2.gz WGDLBRJTHWUOLT-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+]C1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653042906 411402066 /nfs/dbraw/zinc/40/20/66/411402066.db2.gz MBXUBKZZZBNFBC-NWDGAFQWSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+]CCc1ccccc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000653043706 411402074 /nfs/dbraw/zinc/40/20/74/411402074.db2.gz VQAJJIUQHVNOIG-LLVKDONJSA-N 2 0 233.315 0.361 20 0 BCADRP [NH3+]CCc1ccccc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000653045347 411402861 /nfs/dbraw/zinc/40/28/61/411402861.db2.gz FLYZUYSXTRGNJC-NSHDSACASA-N 2 0 233.315 0.280 20 0 BCADRP O=C(NCC[NH2+]C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000653048209 411403796 /nfs/dbraw/zinc/40/37/96/411403796.db2.gz PWPMQHONUALJAL-SNVBAGLBSA-N 2 0 225.336 0.244 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653048278 411404373 /nfs/dbraw/zinc/40/43/73/411404373.db2.gz UEFGIABNGZPLFV-QWRGUYRKSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000653050790 411404852 /nfs/dbraw/zinc/40/48/52/411404852.db2.gz WZTMYBBLRUIHHB-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653048758 411404964 /nfs/dbraw/zinc/40/49/64/411404964.db2.gz YDTCVCHQQAFBAC-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCC[NH2+]C1CC1 ZINC000653048765 411405283 /nfs/dbraw/zinc/40/52/83/411405283.db2.gz YSJZTZVEMNCJMQ-GXSJLCMTSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653053820 411406023 /nfs/dbraw/zinc/40/60/23/411406023.db2.gz MDIPTLAXPMFDFE-VHSXEESVSA-N 2 0 225.336 0.371 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653052946 411406299 /nfs/dbraw/zinc/40/62/99/411406299.db2.gz PZVJTDADGITYBA-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000659378169 411406263 /nfs/dbraw/zinc/40/62/63/411406263.db2.gz XRXZYBCLXDENJB-GMTAPVOTSA-N 2 0 227.352 0.700 20 0 BCADRP CN(CCC[NH3+])C(=O)c1ccccc1CC[NH3+] ZINC000653052456 411406397 /nfs/dbraw/zinc/40/63/97/411406397.db2.gz GCLOICKMXVCMLK-UHFFFAOYSA-N 2 0 235.331 0.609 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000659375677 411406948 /nfs/dbraw/zinc/40/69/48/411406948.db2.gz FESNVHPRNFSCBO-IJLUTSLNSA-N 2 0 241.379 0.947 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653054584 411407262 /nfs/dbraw/zinc/40/72/62/411407262.db2.gz ASLRFZJHGUIOLE-LLVKDONJSA-N 2 0 241.379 0.819 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653054667 411407473 /nfs/dbraw/zinc/40/74/73/411407473.db2.gz ILSSXJFKMSHWKS-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H](C(=O)NCC[N@@H+]1CCCC1(C)C)[NH+](C)C ZINC000654534740 411408761 /nfs/dbraw/zinc/40/87/61/411408761.db2.gz GMYCTFBMCUVPQZ-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP CC[NH+](CC)CCCNC(=O)N[C@H](C)C[NH2+]C ZINC000659426300 411413691 /nfs/dbraw/zinc/41/36/91/411413691.db2.gz YJWFTFYRSYIGJJ-LLVKDONJSA-N 2 0 244.383 0.625 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)N[C@H](C)C[NH2+]C ZINC000659455168 411416545 /nfs/dbraw/zinc/41/65/45/411416545.db2.gz UQEZEZADEHTOES-LLVKDONJSA-N 2 0 244.383 0.625 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)N[C@@H](C)C[NH2+]C ZINC000659462741 411418212 /nfs/dbraw/zinc/41/82/12/411418212.db2.gz GSGWBMAZTACTHC-NSHDSACASA-N 2 0 244.383 0.625 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](C)[NH+](C)C ZINC000659501353 411422957 /nfs/dbraw/zinc/42/29/57/411422957.db2.gz KTGPUJOMCJKCEG-WDEREUQCSA-N 2 0 244.383 0.609 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN(C)C[C@H](O)C1CC1 ZINC000653566731 411423583 /nfs/dbraw/zinc/42/35/83/411423583.db2.gz HMGLUCFNGJQXNG-RYUDHWBXSA-N 2 0 230.352 0.002 20 0 BCADRP C[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000659511129 411424886 /nfs/dbraw/zinc/42/48/86/411424886.db2.gz OSHCDIMMXZVOMG-VWYCJHECSA-N 2 0 240.351 0.036 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000659513949 411425378 /nfs/dbraw/zinc/42/53/78/411425378.db2.gz MUGJQEFNPZEVES-JTQLQIEISA-N 2 0 242.367 0.365 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000659520277 411427322 /nfs/dbraw/zinc/42/73/22/411427322.db2.gz YWVFCXLEHUFDKN-MNOVXSKESA-N 2 0 242.367 0.396 20 0 BCADRP CCO[C@@H]1C[N@H+](CC(C)(C)O)C[C@H]1C[NH3+] ZINC000405371942 411427366 /nfs/dbraw/zinc/42/73/66/411427366.db2.gz JZFIGDKNQGNVRK-NXEZZACHSA-N 2 0 216.325 0.053 20 0 BCADRP CC[NH2+]CCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659506058 411462982 /nfs/dbraw/zinc/46/29/82/411462982.db2.gz WYZPSPFKCMECJF-UHFFFAOYSA-N 2 0 230.356 0.365 20 0 BCADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000126930067 411463064 /nfs/dbraw/zinc/46/30/64/411463064.db2.gz UJUAYPFYMUZSNL-WOPDTQHZSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000659543476 411432884 /nfs/dbraw/zinc/43/28/84/411432884.db2.gz QGMRDADNPJNNKB-UTLUCORTSA-N 2 0 228.340 0.034 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000659543474 411433194 /nfs/dbraw/zinc/43/31/94/411433194.db2.gz QGMRDADNPJNNKB-LPEHRKFASA-N 2 0 228.340 0.034 20 0 BCADRP CCO[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000405513484 411433461 /nfs/dbraw/zinc/43/34/61/411433461.db2.gz GNUCMPZQOUIYHK-FRRDWIJNSA-N 2 0 242.363 0.851 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)CCC[NH3+] ZINC000659552368 411434723 /nfs/dbraw/zinc/43/47/23/411434723.db2.gz FYQZCVNMATUSGB-GHMZBOCLSA-N 2 0 244.383 0.786 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NCCC1CC[NH2+]CC1 ZINC000659561727 411436275 /nfs/dbraw/zinc/43/62/75/411436275.db2.gz REZSNMDMKFRHCT-SNVBAGLBSA-N 2 0 242.367 0.283 20 0 BCADRP C[C@H]1CN(C(=O)NCC2([NH3+])CCCC2)CC[NH2+]1 ZINC000659575294 411439590 /nfs/dbraw/zinc/43/95/90/411439590.db2.gz LNUNQEYBGBOGBX-JTQLQIEISA-N 2 0 240.351 0.261 20 0 BCADRP [NH3+]C1(CNC(=O)N2CCC[NH2+]CC2)CCCC1 ZINC000659579238 411439659 /nfs/dbraw/zinc/43/96/59/411439659.db2.gz XUHVAMKOZPTWJY-UHFFFAOYSA-N 2 0 240.351 0.263 20 0 BCADRP C[C@@]1(C(=O)NCC[NH+]2CCCC2)CCC[NH2+]1 ZINC000070618740 411440936 /nfs/dbraw/zinc/44/09/36/411440936.db2.gz AQDUCGQYSGGIGV-LBPRGKRZSA-N 2 0 225.336 0.341 20 0 BCADRP C[C@H](CNC(=O)[C@]1(C)CCC[NH2+]1)[NH+](C)C ZINC000070618974 411441110 /nfs/dbraw/zinc/44/11/10/411441110.db2.gz GWOVGCIQKHTMOY-KOLCDFICSA-N 2 0 213.325 0.195 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659609726 411441524 /nfs/dbraw/zinc/44/15/24/411441524.db2.gz LDGYRRLVVPXSAV-GHMZBOCLSA-N 2 0 242.367 0.378 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)N(C)CC[NH3+])C1 ZINC000659608999 411441758 /nfs/dbraw/zinc/44/17/58/411441758.db2.gz HSZKODUVOISPFF-SNVBAGLBSA-N 2 0 228.340 0.071 20 0 BCADRP CCCN(C(=O)[C@@H](C)[NH2+]CC)[C@H]1CC[NH2+]C1 ZINC000637834026 411443971 /nfs/dbraw/zinc/44/39/71/411443971.db2.gz UIEIGMTUBRFMJY-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC[C@@H]1[NH3+] ZINC000637845517 411445212 /nfs/dbraw/zinc/44/52/12/411445212.db2.gz PUKWZXWSQKLEMN-WOPDTQHZSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NCCC[NH2+]C(C)C ZINC000659513758 411466900 /nfs/dbraw/zinc/46/69/00/411466900.db2.gz YROYWSCMYBSMKC-SNVBAGLBSA-N 2 0 230.356 0.282 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000659514956 411467486 /nfs/dbraw/zinc/46/74/86/411467486.db2.gz AFKMFCRTUXBROK-WDEREUQCSA-N 2 0 242.367 0.411 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000659515039 411468554 /nfs/dbraw/zinc/46/85/54/411468554.db2.gz HGZGDLWJPYLBPN-GHMZBOCLSA-N 2 0 242.367 0.411 20 0 BCADRP O=C1NCCC[C@@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657338110 411473152 /nfs/dbraw/zinc/47/31/52/411473152.db2.gz QCCLDQMUYQCYOH-JTQLQIEISA-N 2 0 234.303 0.198 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)NCC1([NH3+])CCCC1 ZINC000659525809 411482975 /nfs/dbraw/zinc/48/29/75/411482975.db2.gz IOMHIGNLICYCKZ-SECBINFHSA-N 2 0 228.340 0.152 20 0 BCADRP CCC[NH2+]CCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659527316 411485621 /nfs/dbraw/zinc/48/56/21/411485621.db2.gz VOCQJQIZASUXMZ-UHFFFAOYSA-N 2 0 240.351 0.119 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000127644580 411499015 /nfs/dbraw/zinc/49/90/15/411499015.db2.gz CDNSDEXYXDVALB-NSHDSACASA-N 2 0 227.352 0.490 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@H]1CC[NH2+]C1 ZINC000127668646 411500540 /nfs/dbraw/zinc/50/05/40/411500540.db2.gz RGJCUDTWANMTRY-ZYHUDNBSSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659539650 411506069 /nfs/dbraw/zinc/50/60/69/411506069.db2.gz SYXNINAXLFKLLT-BBBLOLIVSA-N 2 0 228.340 0.102 20 0 BCADRP [NH3+]C1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC2(CCC2)C1 ZINC000638927114 411513874 /nfs/dbraw/zinc/51/38/74/411513874.db2.gz QTDXFKNCPRQWGK-PHIMTYICSA-N 2 0 249.358 0.611 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925174 411513966 /nfs/dbraw/zinc/51/39/66/411513966.db2.gz JQIRKVNPYMMPHW-PHIMTYICSA-N 2 0 225.336 0.289 20 0 BCADRP C[C@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806243 411520491 /nfs/dbraw/zinc/52/04/91/411520491.db2.gz SIBDIQIARPEBPU-RVMXOQNASA-N 2 0 225.380 0.866 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000655829617 411530487 /nfs/dbraw/zinc/53/04/87/411530487.db2.gz NURAJSNHKBDCHS-SCVCMEIPSA-N 2 0 249.362 0.212 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000037643432 170007589 /nfs/dbraw/zinc/00/75/89/170007589.db2.gz IUOBWCFAUKOWBT-NWDGAFQWSA-N 2 0 239.363 0.444 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000040464014 170008019 /nfs/dbraw/zinc/00/80/19/170008019.db2.gz GMMJRYOEPXPMCZ-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C[NH3+])C(C)C)C1 ZINC000044802669 170008031 /nfs/dbraw/zinc/00/80/31/170008031.db2.gz YFKAYFBHZIUWDY-RYUDHWBXSA-N 2 0 241.379 0.675 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000372119202 170008114 /nfs/dbraw/zinc/00/81/14/170008114.db2.gz XPTFEOGGUXUXAK-JQWIXIFHSA-N 2 0 243.326 0.146 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH2+]C)C[C@@H]1C ZINC000357254782 170009346 /nfs/dbraw/zinc/00/93/46/170009346.db2.gz ZIZFDQJRGKEUBT-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000335150591 170012448 /nfs/dbraw/zinc/01/24/48/170012448.db2.gz OEUYKNPUPCSGPY-MNOVXSKESA-N 2 0 225.336 0.291 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)CCC[NH3+])[C@H](C)C1 ZINC000336741141 170018687 /nfs/dbraw/zinc/01/86/87/170018687.db2.gz MYNRJZUWDGZZLX-NEPJUHHUSA-N 2 0 213.369 0.997 20 0 BCADRP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000335150592 170019317 /nfs/dbraw/zinc/01/93/17/170019317.db2.gz OEUYKNPUPCSGPY-QWRGUYRKSA-N 2 0 225.336 0.291 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)O)[C@H](C)C1 ZINC000119445320 170020330 /nfs/dbraw/zinc/02/03/30/170020330.db2.gz QCIBDOVOWLACPH-VWYCJHECSA-N 2 0 200.326 0.687 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](COC)OC)[C@H](C)C1 ZINC000358428906 170020375 /nfs/dbraw/zinc/02/03/75/170020375.db2.gz DWKKBHSVJCZMOF-AGIUHOORSA-N 2 0 244.379 0.968 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C(F)F)[C@@H](C)C1 ZINC000336778401 170020912 /nfs/dbraw/zinc/02/09/12/170020912.db2.gz LHIZJRSNACUMCZ-GUBZILKMSA-N 2 0 236.306 0.932 20 0 BCADRP CC[N@@H+]1CC[C@H](NC[C@@H](O)C[NH+](C)C)[C@H](C)C1 ZINC000305130881 170021478 /nfs/dbraw/zinc/02/14/78/170021478.db2.gz MZNYLUSXAQBZNU-UPJWGTAASA-N 2 0 243.395 0.229 20 0 BCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH3+] ZINC000236848573 170023698 /nfs/dbraw/zinc/02/36/98/170023698.db2.gz QJOOVEGLCIVJGB-MNOVXSKESA-N 2 0 225.336 0.420 20 0 BCADRP CCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000309806122 170049393 /nfs/dbraw/zinc/04/93/93/170049393.db2.gz SEKGKYXKAXADGU-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP CCNC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000082475024 170058796 /nfs/dbraw/zinc/05/87/96/170058796.db2.gz VHRDWHJVBJKBHV-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP CCNC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063199725 170059035 /nfs/dbraw/zinc/05/90/35/170059035.db2.gz DQHXDQLJKSVEQY-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP CCNC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626500 170059718 /nfs/dbraw/zinc/05/97/18/170059718.db2.gz JBMGCTVVPUFMRZ-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000250242611 170096064 /nfs/dbraw/zinc/09/60/64/170096064.db2.gz HNTZFDZMTXUWRW-GARJFASQSA-N 2 0 227.352 0.618 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000236944050 170114268 /nfs/dbraw/zinc/11/42/68/170114268.db2.gz JPXGQWXUZYTSPR-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000366409838 170114409 /nfs/dbraw/zinc/11/44/09/170114409.db2.gz ZUBZWXURLXRQDO-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000236915556 170114425 /nfs/dbraw/zinc/11/44/25/170114425.db2.gz YTXDSNRSTOBQOY-GFCCVEGCSA-N 2 0 235.331 0.802 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000236916644 170114557 /nfs/dbraw/zinc/11/45/57/170114557.db2.gz GVQNHZJMQQWPEY-NSHDSACASA-N 2 0 241.379 0.738 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000236930448 170114607 /nfs/dbraw/zinc/11/46/07/170114607.db2.gz AKVJOUCTDKWXGN-LBPRGKRZSA-N 2 0 235.331 0.455 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000236943224 170114831 /nfs/dbraw/zinc/11/48/31/170114831.db2.gz MINJDEVOSGAWBF-JTQLQIEISA-N 2 0 215.341 0.298 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000366409841 170114836 /nfs/dbraw/zinc/11/48/36/170114836.db2.gz ZUBZWXURLXRQDO-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H](C[NH3+])C(C)C ZINC000336756073 170157908 /nfs/dbraw/zinc/15/79/08/170157908.db2.gz YHAZRZYYASSKMT-NXEZZACHSA-N 2 0 215.341 0.332 20 0 BCADRP CCOC(=O)CC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000042430838 170206284 /nfs/dbraw/zinc/20/62/84/170206284.db2.gz YHFBDEYSJFCRON-NSHDSACASA-N 2 0 228.336 0.871 20 0 BCADRP OC/C=C/C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657592717 411556624 /nfs/dbraw/zinc/55/66/24/411556624.db2.gz ALZXOXMCSGWKFT-NUYITTKVSA-N 2 0 210.321 0.751 20 0 BCADRP CCOCCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000336711948 170373284 /nfs/dbraw/zinc/37/32/84/170373284.db2.gz QDVGAKOSYARKOL-CYBMUJFWSA-N 2 0 241.379 0.393 20 0 BCADRP CCOCCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000336646894 170382419 /nfs/dbraw/zinc/38/24/19/170382419.db2.gz DILVSPICPKGJDC-GHMZBOCLSA-N 2 0 200.326 0.953 20 0 BCADRP CCOCCN(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309396044 170389398 /nfs/dbraw/zinc/38/93/98/170389398.db2.gz IKEBORWBDNJJEG-LBPRGKRZSA-N 2 0 230.352 0.410 20 0 BCADRP CCOCC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040600583 170398484 /nfs/dbraw/zinc/39/84/84/170398484.db2.gz OTXFOIHTNHADKG-NSHDSACASA-N 2 0 200.326 0.954 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H](CO)CC1CC1 ZINC000657700210 411582548 /nfs/dbraw/zinc/58/25/48/411582548.db2.gz MSYNQMHEPQEQPU-RAIGVLPGSA-N 2 0 226.364 0.935 20 0 BCADRP CN1CCC([NH2+][C@@H]2C[C@H](O)C23CCC3)CC1 ZINC000657704255 411583744 /nfs/dbraw/zinc/58/37/44/411583744.db2.gz RJVLNNVHNJUTQK-NEPJUHHUSA-N 2 0 224.348 0.974 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657840714 411610064 /nfs/dbraw/zinc/61/00/64/411610064.db2.gz VLRAAQKQJHREQH-FRRDWIJNSA-N 2 0 249.362 0.883 20 0 BCADRP C[NH2+]CCNCc1nc2c(s1)C[NH2+]CC2 ZINC000663495063 411668025 /nfs/dbraw/zinc/66/80/25/411668025.db2.gz UWBZTHRNVNMXDT-UHFFFAOYSA-N 2 0 226.349 0.098 20 0 BCADRP [NH3+]CC1(CC[NH2+]C[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC000663496508 411669125 /nfs/dbraw/zinc/66/91/25/411669125.db2.gz HGOFBZJHFQMQSW-JQWIXIFHSA-N 3 0 209.337 0.315 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC[C@]12C[C@H]1C[NH2+]C2 ZINC000663495539 411669170 /nfs/dbraw/zinc/66/91/70/411669170.db2.gz YSVYXCYIOHDHLG-QJPTWQEYSA-N 2 0 211.353 0.559 20 0 BCADRP C(N1CC[C@H]2[NH2+]CC[C@@H]2C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493062 411671766 /nfs/dbraw/zinc/67/17/66/411671766.db2.gz FGZUUDNOGLUZTJ-LPWJVIDDSA-N 2 0 221.348 0.280 20 0 BCADRP [NH3+][C@@H]1CCN(Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663493954 411672248 /nfs/dbraw/zinc/67/22/48/411672248.db2.gz FHSPMBVDQBYBEJ-MRVPVSSYSA-N 2 0 238.360 0.322 20 0 BCADRP [NH3+][C@H](CNC[C@@]12C[C@@H]1C[NH2+]C2)c1ccccc1 ZINC000663493756 411673510 /nfs/dbraw/zinc/67/35/10/411673510.db2.gz JORRBXSRVULTOD-MCIONIFRSA-N 2 0 231.343 0.886 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@]12C[C@H]1C[NH2+]C2 ZINC000663493962 411673631 /nfs/dbraw/zinc/67/36/31/411673631.db2.gz FNPYDUKMLHNMHU-ZDEQEGDKSA-N 2 0 223.364 0.798 20 0 BCADRP CN(CC(C)(C)C[NH3+])C[C@]12C[C@H]1C[NH2+]C2 ZINC000663494010 411673723 /nfs/dbraw/zinc/67/37/23/411673723.db2.gz GQLYJCFMIGOYFQ-CMPLNLGQSA-N 2 0 211.353 0.513 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C[C@]12C[C@H]1C[NH2+]C2 ZINC000663493681 411673782 /nfs/dbraw/zinc/67/37/82/411673782.db2.gz CXPJPRURCPFCQY-SDDRHHMPSA-N 2 0 209.337 0.280 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](C[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC000663494585 411675773 /nfs/dbraw/zinc/67/57/73/411675773.db2.gz JNDMHVYTBOBYLK-WCFLWFBJSA-N 3 0 223.364 0.655 20 0 BCADRP C[C@@H]1CCN(C[C@@]23C[C@@H]2C[NH2+]C3)C[C@@H]1C[NH3+] ZINC000663495876 411677458 /nfs/dbraw/zinc/67/74/58/411677458.db2.gz BGMHFRIWCMIIIK-XQHKEYJVSA-N 2 0 223.364 0.513 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1CN(C[C@@]13C[C@@H]1C[NH2+]C3)C2 ZINC000663496222 411677490 /nfs/dbraw/zinc/67/74/90/411677490.db2.gz DQKLUWVBJGICGK-CRWXNKLISA-N 2 0 235.375 0.657 20 0 BCADRP C[NH+]1CCC(NCC23CC(C2)C[NH2+]3)CC1 ZINC000663497333 411679894 /nfs/dbraw/zinc/67/98/94/411679894.db2.gz DXWKIDGWIJRUIM-UHFFFAOYSA-N 2 0 209.337 0.422 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC[C@]12C[C@H]1C[NH2+]C2 ZINC000663500167 411683351 /nfs/dbraw/zinc/68/33/51/411683351.db2.gz YNBRDQGLNLHHAL-GMXVVIOVSA-N 2 0 223.364 0.574 20 0 BCADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)CC(=O)N(C)C ZINC000663504137 411687511 /nfs/dbraw/zinc/68/75/11/411687511.db2.gz WPZIEQAHGGNMDR-GHMZBOCLSA-N 2 0 229.368 0.816 20 0 BCADRP Cn1cncc1CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000314415416 411690097 /nfs/dbraw/zinc/69/00/97/411690097.db2.gz VHBJKQFEBWQNIW-TXEJJXNPSA-N 2 0 234.347 0.504 20 0 BCADRP C[NH+](C)CCC[C@@H]1CN(CC(C)(C)[NH3+])CCO1 ZINC000663514678 411695187 /nfs/dbraw/zinc/69/51/87/411695187.db2.gz RZPKTHMKFJUSTF-GFCCVEGCSA-N 2 0 243.395 0.766 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCNc1cnccn1 ZINC000576695370 411838361 /nfs/dbraw/zinc/83/83/61/411838361.db2.gz LWCBHDNHPRGHQL-VXGBXAGGSA-N 2 0 249.362 0.866 20 0 BCADRP C[C@@H]([NH2+]Cc1ccc(N)nc1)[C@H]1CCC[NH2+]C1 ZINC000647546204 411888567 /nfs/dbraw/zinc/88/85/67/411888567.db2.gz FJOLDGDMYQJIGW-PWSUYJOCSA-N 2 0 234.347 1.142 20 0 BCADRP CC1(C[NH2+]Cc2ccc(N)nc2)CC[NH2+]CC1 ZINC000647547106 411890284 /nfs/dbraw/zinc/89/02/84/411890284.db2.gz NWUKHSOTRTURLU-UHFFFAOYSA-N 2 0 234.347 1.143 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NCc1cnc(N)s1 ZINC000580714589 411890437 /nfs/dbraw/zinc/89/04/37/411890437.db2.gz BJYPQWMPJHMPLQ-QMMMGPOBSA-N 2 0 226.349 0.955 20 0 BCADRP CC1(C)[C@H]([NH2+]Cc2ccnc(N)c2)C[C@@H]1[NH3+] ZINC000641804357 411890906 /nfs/dbraw/zinc/89/09/06/411890906.db2.gz YVZJNNMJKGGCKI-VHSXEESVSA-N 2 0 220.320 0.879 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1Nc1nc(N)[nH+]c2c1CCCC2 ZINC000630546168 411915920 /nfs/dbraw/zinc/91/59/20/411915920.db2.gz UHXWQHRMLVYBOG-WCBMZHEXSA-N 2 0 247.346 0.522 20 0 BCADRP C[C@@]1(C[NH2+]Cc2ccc(N)nc2)CCC[NH2+]C1 ZINC000647547232 411918479 /nfs/dbraw/zinc/91/84/79/411918479.db2.gz SBWJURXDFQTPBR-CYBMUJFWSA-N 2 0 234.347 1.143 20 0 BCADRP C[C@H]1C[N@H+](Cc2cnc(N)s2)C[C@H]1C[NH3+] ZINC000634999108 411930294 /nfs/dbraw/zinc/93/02/94/411930294.db2.gz QBOJWUSBEHFTOQ-JGVFFNPUSA-N 2 0 226.349 0.752 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@@H](C)O ZINC000661766689 411877904 /nfs/dbraw/zinc/87/79/04/411877904.db2.gz HLSUSKYSHFYYSE-FRRDWIJNSA-N 2 0 244.379 0.533 20 0 BCADRP C[C@@H](CC[NH3+])[NH2+]Cc1cnc(N)s1 ZINC000581310552 411880379 /nfs/dbraw/zinc/88/03/79/411880379.db2.gz GQZYNFWPEGICQP-LURJTMIESA-N 2 0 200.311 0.552 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(N)nc1 ZINC000647552049 411883406 /nfs/dbraw/zinc/88/34/06/411883406.db2.gz CNAMRDJXDGBAKG-RKDXNWHRSA-N 2 0 208.309 0.879 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N)nc1 ZINC000647552046 411884101 /nfs/dbraw/zinc/88/41/01/411884101.db2.gz CNAMRDJXDGBAKG-BDAKNGLRSA-N 2 0 208.309 0.879 20 0 BCADRP Nc1ncc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000647546805 411964388 /nfs/dbraw/zinc/96/43/88/411964388.db2.gz CAOIDPUCYZQDFY-YUMQZZPRSA-N 2 0 226.349 1.085 20 0 BCADRP Cc1nc(N)nc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000631188889 411965826 /nfs/dbraw/zinc/96/58/26/411965826.db2.gz LBEVMNGXKDLEHC-HTQZYQBOSA-N 2 0 236.323 0.291 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000036871814 170861171 /nfs/dbraw/zinc/86/11/71/170861171.db2.gz FPLXQTVOTIYLOJ-LLVKDONJSA-N 2 0 227.352 0.666 20 0 BCADRP Nc1ncc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)s1 ZINC000563136251 411976082 /nfs/dbraw/zinc/97/60/82/411976082.db2.gz VFXBDOMPDLYURA-SFYZADRCSA-N 2 0 226.349 0.942 20 0 BCADRP Nc1nc(-n2cccn2)cc(NCCCC[NH3+])[nH+]1 ZINC000420229099 411976406 /nfs/dbraw/zinc/97/64/06/411976406.db2.gz GFKIQXKZUBOPIP-UHFFFAOYSA-N 2 0 247.306 0.395 20 0 BCADRP Nc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)ccn1 ZINC000563153266 411976902 /nfs/dbraw/zinc/97/69/02/411976902.db2.gz DJALJVYHTGIJLF-NSHDSACASA-N 2 0 220.320 0.835 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000133849270 411980914 /nfs/dbraw/zinc/98/09/14/411980914.db2.gz LCCWYYYDKRGBCV-ZJUUUORDSA-N 2 0 213.325 0.052 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662139787 412001672 /nfs/dbraw/zinc/00/16/72/412001672.db2.gz BTNPENVXZWDTHX-FRRDWIJNSA-N 2 0 244.379 0.249 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000219974955 412010165 /nfs/dbraw/zinc/01/01/65/412010165.db2.gz UHWANJPHWODOJM-JTQLQIEISA-N 2 0 227.352 0.583 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](COC)OC)C1 ZINC000662237352 412033712 /nfs/dbraw/zinc/03/37/12/412033712.db2.gz IRUBEDBJPYGXBO-NEPJUHHUSA-N 2 0 230.352 0.579 20 0 BCADRP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC[NH2+]CC1 ZINC000662238799 412034466 /nfs/dbraw/zinc/03/44/66/412034466.db2.gz WQPDXWGNVAMNPG-LBPRGKRZSA-N 3 0 239.363 0.191 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662243692 412039401 /nfs/dbraw/zinc/03/94/01/412039401.db2.gz OXZNUPZQHXXMOK-NEPJUHHUSA-N 2 0 239.363 0.321 20 0 BCADRP CCN1CC[C@@H]([NH+]2CCC(C[NH2+]C)CC2)C1=O ZINC000662245570 412040938 /nfs/dbraw/zinc/04/09/38/412040938.db2.gz KZLOSASNRSUION-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662245118 412041237 /nfs/dbraw/zinc/04/12/37/412041237.db2.gz KOEIUCSQBFPCBY-VXGBXAGGSA-N 3 0 239.363 0.191 20 0 BCADRP C[NH2+]CC1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000662244739 412042133 /nfs/dbraw/zinc/04/21/33/412042133.db2.gz GSFGVEUSNXHCPQ-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH2+]CC1CC[NH+](C[C@H](COC)OC)CC1 ZINC000662246413 412043835 /nfs/dbraw/zinc/04/38/35/412043835.db2.gz UFHBGLLZTLMKNS-CYBMUJFWSA-N 2 0 244.379 0.969 20 0 BCADRP C[C@@](C[NH3+])([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662248022 412046242 /nfs/dbraw/zinc/04/62/42/412046242.db2.gz RARBYVWQOLUBFU-NEPJUHHUSA-N 3 0 239.363 0.224 20 0 BCADRP COC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662249010 412046351 /nfs/dbraw/zinc/04/63/51/412046351.db2.gz NEVCHKZGLYOGHJ-LBPRGKRZSA-N 2 0 240.347 0.618 20 0 BCADRP CO[C@H](C[N@H+](C)C[C@@H](O)C[NH3+])C1CCC1 ZINC000662275610 412048379 /nfs/dbraw/zinc/04/83/79/412048379.db2.gz CYQFNCOPTXQCOZ-WDEREUQCSA-N 2 0 216.325 0.053 20 0 BCADRP COC[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255083 412049096 /nfs/dbraw/zinc/04/90/96/412049096.db2.gz OFXHTDIAXWOQQN-VXGBXAGGSA-N 2 0 240.347 0.476 20 0 BCADRP C[C@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCCO1 ZINC000662255254 412051896 /nfs/dbraw/zinc/05/18/96/412051896.db2.gz BOCLAASHNSJMQA-NWDGAFQWSA-N 2 0 240.347 0.618 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C[NH2+]C(C)C ZINC000220125143 412056658 /nfs/dbraw/zinc/05/66/58/412056658.db2.gz NUCDBWFZUOTNJB-LLVKDONJSA-N 2 0 229.368 0.831 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CNCCO3)C[C@@H]21 ZINC000662267517 412061138 /nfs/dbraw/zinc/06/11/38/412061138.db2.gz WFLOHYKUNCFMIR-FVCCEPFGSA-N 2 0 239.363 0.034 20 0 BCADRP CN1CCC[C@H]([N@@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000662272319 412062611 /nfs/dbraw/zinc/06/26/11/412062611.db2.gz DXYGLPDYHBSQGG-CMPLNLGQSA-N 2 0 225.336 0.278 20 0 BCADRP CN(Cc1cccc2c1CC[NH2+]C2)C1C[NH2+]C1 ZINC000662272285 412063439 /nfs/dbraw/zinc/06/34/39/412063439.db2.gz DIAKIMBWXBBVEY-UHFFFAOYSA-N 2 0 231.343 0.736 20 0 BCADRP C1=CCC(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000662272281 412063564 /nfs/dbraw/zinc/06/35/64/412063564.db2.gz DFROSLKQZXQCFA-AWEZNQCLSA-N 2 0 235.375 0.932 20 0 BCADRP CO[C@@H](C[N@H+](C)C[C@H](O)C[NH3+])C1CCC1 ZINC000662275608 412066984 /nfs/dbraw/zinc/06/69/84/412066984.db2.gz CYQFNCOPTXQCOZ-MNOVXSKESA-N 2 0 216.325 0.053 20 0 BCADRP C[C@@H](CCNC(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000665044604 412067390 /nfs/dbraw/zinc/06/73/90/412067390.db2.gz WGHJQJXQRLBGMM-QWRGUYRKSA-N 2 0 244.383 0.576 20 0 BCADRP COC[C@@H](C[N@H+](C)C1CC([NH3+])C1)OC ZINC000662274770 412067989 /nfs/dbraw/zinc/06/79/89/412067989.db2.gz WWBBHRRFNKCQBF-UDNWOFFPSA-N 2 0 202.298 0.069 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000353461019 171146482 /nfs/dbraw/zinc/14/64/82/171146482.db2.gz PVJXGFDSBJSTRT-BJDJZHNGSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000353473814 171146603 /nfs/dbraw/zinc/14/66/03/171146603.db2.gz VOXBXTADWROICB-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000353135591 171148855 /nfs/dbraw/zinc/14/88/55/171148855.db2.gz WTBCETCFQGBDTJ-MXWKQRLJSA-N 2 0 227.352 0.474 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](C)C[NH2+]C ZINC000353178655 171148979 /nfs/dbraw/zinc/14/89/79/171148979.db2.gz AQMYNZQPJBODBP-MXWKQRLJSA-N 2 0 227.352 0.346 20 0 BCADRP CC[C@@]1(C(=O)N(C)[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000378226505 171195022 /nfs/dbraw/zinc/19/50/22/171195022.db2.gz VHPKKALNNADZKS-CMPLNLGQSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@@]1(C(=O)NCC[NH2+]C2CC2)CC[NH2+]C1 ZINC000360467458 171196239 /nfs/dbraw/zinc/19/62/39/171196239.db2.gz QOEKEPPZORSPRJ-GFCCVEGCSA-N 2 0 225.336 0.244 20 0 BCADRP CC[C@@]1(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)CCC[NH2+]1 ZINC000332676910 171196302 /nfs/dbraw/zinc/19/63/02/171196302.db2.gz RZJLHORQNFJZQD-NHCYSSNCSA-N 2 0 225.336 0.467 20 0 BCADRP CC[C@@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000360465665 171196381 /nfs/dbraw/zinc/19/63/81/171196381.db2.gz GWAASYWLXNMAPW-WCQYABFASA-N 2 0 239.363 0.492 20 0 BCADRP C[C@H](O)C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662285166 412077648 /nfs/dbraw/zinc/07/76/48/412077648.db2.gz YMWBPXUKUIJUJC-CMPLNLGQSA-N 2 0 240.347 0.353 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[NH+](C)C ZINC000373041641 171226490 /nfs/dbraw/zinc/22/64/90/171226490.db2.gz HFASKCNARXKUBC-SDDRHHMPSA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@H](C(=O)NCCC[NH+]1CCCC1)[NH+](C)C ZINC000359461271 171228513 /nfs/dbraw/zinc/22/85/13/171228513.db2.gz UIJOVKYNMYYUIT-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000338963481 171234003 /nfs/dbraw/zinc/23/40/03/171234003.db2.gz KCEDLNMJVPFPHL-SDDRHHMPSA-N 2 0 241.379 0.926 20 0 BCADRP CC[C@H](C)[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298589 171304556 /nfs/dbraw/zinc/30/45/56/171304556.db2.gz ITWXETUCGMFYHU-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000365049025 171306224 /nfs/dbraw/zinc/30/62/24/171306224.db2.gz RQXWERDHLXSZDF-CMPLNLGQSA-N 2 0 245.342 0.535 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)CC[NH3+] ZINC000226397250 171306542 /nfs/dbraw/zinc/30/65/42/171306542.db2.gz JVHSLRZGIVTVDE-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP C[NH2+]CCC[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000662294916 412084530 /nfs/dbraw/zinc/08/45/30/412084530.db2.gz GYPRGSUOQAPVIN-LLVKDONJSA-N 2 0 223.324 0.210 20 0 BCADRP CC[C@H](C)NC(=O)CN1CC[C@@H](C[NH3+])C1 ZINC000224223639 171325374 /nfs/dbraw/zinc/32/53/74/171325374.db2.gz GVLGYSGMQHHFCM-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH+](CC)CCNC(=O)C1([NH+](C)C)CC1 ZINC000665061991 412078229 /nfs/dbraw/zinc/07/82/29/412078229.db2.gz IEAXPSOVWNINJD-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291924 412081773 /nfs/dbraw/zinc/08/17/73/412081773.db2.gz ARPBGKGEYICAMS-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP c1cn(C[C@@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)nn1 ZINC000662294338 412081878 /nfs/dbraw/zinc/08/18/78/412081878.db2.gz ASADYMGSPUSFTL-QWHCGFSZSA-N 2 0 249.362 0.600 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089259 171370796 /nfs/dbraw/zinc/37/07/96/171370796.db2.gz FVDNLMRZZJWPRH-IVZWLZJFSA-N 2 0 215.341 0.426 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](C)[NH2+]C ZINC000308979019 171371010 /nfs/dbraw/zinc/37/10/10/171371010.db2.gz HLHFHEWQAKHUHE-XHNCKOQMSA-N 2 0 201.314 0.084 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH2+]C ZINC000308979007 171371473 /nfs/dbraw/zinc/37/14/73/171371473.db2.gz HLHFHEWQAKHUHE-DJLDLDEBSA-N 2 0 201.314 0.084 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH3+] ZINC000309004418 171371709 /nfs/dbraw/zinc/37/17/09/171371709.db2.gz PFIZNFTVLGIJMH-HRDYMLBCSA-N 2 0 201.314 0.071 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C[NH2+]C(C)C)C1 ZINC000662392135 412143211 /nfs/dbraw/zinc/14/32/11/412143211.db2.gz OLLZLPDVCUOHIU-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000337523731 171393960 /nfs/dbraw/zinc/39/39/60/171393960.db2.gz WXLJHZZXUSHCID-MMWGEVLESA-N 2 0 227.352 0.556 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000037467305 171394009 /nfs/dbraw/zinc/39/40/09/171394009.db2.gz NMOJBYMXWNIQEV-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000366498285 171394021 /nfs/dbraw/zinc/39/40/21/171394021.db2.gz ROHDMNIEJQPXAV-YFKTTZPYSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368104654 171394110 /nfs/dbraw/zinc/39/41/10/171394110.db2.gz IKQJXNCJNZKQOA-QCNOEVLYSA-N 2 0 239.363 0.428 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248590575 171394189 /nfs/dbraw/zinc/39/41/89/171394189.db2.gz HATPCRGEDSYUKX-NGDQXYMTSA-N 2 0 239.363 0.556 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000051694731 171394378 /nfs/dbraw/zinc/39/43/78/171394378.db2.gz GEVYUZODZZZQRQ-PMUOWJKOSA-N 2 0 227.352 0.746 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000662388876 412140306 /nfs/dbraw/zinc/14/03/06/412140306.db2.gz SULFGAWDRHNJAB-JTQLQIEISA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000662387869 412140577 /nfs/dbraw/zinc/14/05/77/412140577.db2.gz LXTBYGDIUQKJAW-NWDGAFQWSA-N 2 0 241.379 0.947 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC[NH+]1CCCCC1 ZINC000662388148 412140758 /nfs/dbraw/zinc/14/07/58/412140758.db2.gz NXYWJFSCOKGIPA-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[N@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1COCCO1 ZINC000662307735 412092373 /nfs/dbraw/zinc/09/23/73/412092373.db2.gz YKRKZGXLVLKITQ-VXGBXAGGSA-N 2 0 228.336 0.333 20 0 BCADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1COCCO1 ZINC000662307728 412093126 /nfs/dbraw/zinc/09/31/26/412093126.db2.gz YJXANWIVQABUJX-CHWSQXEVSA-N 2 0 242.363 0.723 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662316221 412094907 /nfs/dbraw/zinc/09/49/07/412094907.db2.gz XJJMBGCGENTCDZ-QWHCGFSZSA-N 2 0 242.363 0.459 20 0 BCADRP [NH3+]CCC[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662318201 412098730 /nfs/dbraw/zinc/09/87/30/412098730.db2.gz XLXOFDIUQBBOSX-NSHDSACASA-N 2 0 225.336 0.280 20 0 BCADRP C[C@@H]1CCC[N@H+](CCOCC[NH3+])[C@@H]1CCC[NH3+] ZINC000662318106 412098853 /nfs/dbraw/zinc/09/88/53/412098853.db2.gz VYSPZFUHHRWUAC-CHWSQXEVSA-N 3 0 243.395 0.801 20 0 BCADRP C[NH+](C)CCC[C@@H]1C[N@H+](CC(C)(C)O)CCO1 ZINC000662322986 412099629 /nfs/dbraw/zinc/09/96/29/412099629.db2.gz NZXXQOQRMFIOMV-GFCCVEGCSA-N 2 0 244.379 0.800 20 0 BCADRP C[C@@H](O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321705 412099839 /nfs/dbraw/zinc/09/98/39/412099839.db2.gz CRJOGDMASSNAPS-NEPJUHHUSA-N 2 0 230.352 0.410 20 0 BCADRP C[C@H](CO)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326025 412102667 /nfs/dbraw/zinc/10/26/67/412102667.db2.gz TXWYNAVTOWDUGV-QWHCGFSZSA-N 2 0 244.379 0.657 20 0 BCADRP C[C@H](CO)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326026 412103225 /nfs/dbraw/zinc/10/32/25/412103225.db2.gz TXWYNAVTOWDUGV-STQMWFEESA-N 2 0 244.379 0.657 20 0 BCADRP [NH3+]CCNC(=O)c1ccc(C2=CC[NH2+]CC2)cn1 ZINC000665174433 412120364 /nfs/dbraw/zinc/12/03/64/412120364.db2.gz NDZNAXPOBCOJAY-UHFFFAOYSA-N 2 0 246.314 0.147 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCCC[NH+]1CCCCC1 ZINC000662354095 412120656 /nfs/dbraw/zinc/12/06/56/412120656.db2.gz BUAJKLCFDWCXAJ-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@H](CC)[NH2+]C)CC1 ZINC000662357192 412121961 /nfs/dbraw/zinc/12/19/61/412121961.db2.gz YGWAYAYXEGCESW-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000662364296 412123388 /nfs/dbraw/zinc/12/33/88/412123388.db2.gz XOGBLVZAXXGQBC-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])c1 ZINC000662393115 412142765 /nfs/dbraw/zinc/14/27/65/412142765.db2.gz PAYKMAIFCDSJQI-NEPJUHHUSA-N 2 0 249.314 0.448 20 0 BCADRP CC[C@@H](O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000218785226 412131629 /nfs/dbraw/zinc/13/16/29/412131629.db2.gz OYFSXHFVBWGJNL-VXGBXAGGSA-N 2 0 230.352 0.194 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])c1 ZINC000662393120 412142993 /nfs/dbraw/zinc/14/29/93/412142993.db2.gz PAYKMAIFCDSJQI-VXGBXAGGSA-N 2 0 249.314 0.448 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000662555194 412215871 /nfs/dbraw/zinc/21/58/71/412215871.db2.gz ZMDAXVOOENLBRN-CYBMUJFWSA-N 2 0 249.358 0.972 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C[NH2+]C(C)C ZINC000662461697 412183196 /nfs/dbraw/zinc/18/31/96/412183196.db2.gz DRXYYYWFDWWRHG-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](CC)[NH2+]C ZINC000662462840 412183241 /nfs/dbraw/zinc/18/32/41/412183241.db2.gz OQNYNANNSDETFF-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CO[C@@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665244156 412187238 /nfs/dbraw/zinc/18/72/38/412187238.db2.gz HKHBKFNIGOXOLO-ZDEQEGDKSA-N 2 0 242.363 0.768 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000662474813 412188032 /nfs/dbraw/zinc/18/80/32/412188032.db2.gz CSBZQVLPBFQWOV-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP CO[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000665245334 412188907 /nfs/dbraw/zinc/18/89/07/412188907.db2.gz FSXANZXUBQVJPR-VPOLOUISSA-N 2 0 216.325 0.363 20 0 BCADRP C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)C1C[NH2+]C1 ZINC000665244454 412189010 /nfs/dbraw/zinc/18/90/10/412189010.db2.gz NUMBFTGMUKRXRT-APPZFPTMSA-N 2 0 220.263 0.608 20 0 BCADRP C[C@H]([NH2+]CCO[C@H]1CC1(F)F)C1C[NH2+]C1 ZINC000665244455 412189631 /nfs/dbraw/zinc/18/96/31/412189631.db2.gz NUMBFTGMUKRXRT-CBAPKCEASA-N 2 0 220.263 0.608 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000662486912 412190769 /nfs/dbraw/zinc/19/07/69/412190769.db2.gz YEJUGKXCNLILLO-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H](CC)[NH2+]C ZINC000662485607 412191030 /nfs/dbraw/zinc/19/10/30/412191030.db2.gz HIFVYPOHNNELGY-LLVKDONJSA-N 2 0 229.368 0.833 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1NCC1([NH3+])CCCC1 ZINC000665246599 412191227 /nfs/dbraw/zinc/19/12/27/412191227.db2.gz JLZSKAUEWHIOQN-MNOVXSKESA-N 2 0 211.353 0.975 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000662556506 412215696 /nfs/dbraw/zinc/21/56/96/412215696.db2.gz TURFOHNDNJAJON-VWYCJHECSA-N 2 0 225.336 0.372 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C[NH2+]C(C)C ZINC000662553719 412215042 /nfs/dbraw/zinc/21/50/42/412215042.db2.gz OQPPZESGBYSUGD-NSHDSACASA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662519626 412197952 /nfs/dbraw/zinc/19/79/52/412197952.db2.gz SWMZYVMUIGPZAD-WDEREUQCSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000662513647 412200741 /nfs/dbraw/zinc/20/07/41/412200741.db2.gz CIWYIFNPVRSVJV-NXEZZACHSA-N 2 0 213.325 0.193 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000662515934 412201453 /nfs/dbraw/zinc/20/14/53/412201453.db2.gz VEWAWONSHBIGIR-GHMZBOCLSA-N 2 0 227.352 0.441 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662518194 412203112 /nfs/dbraw/zinc/20/31/12/412203112.db2.gz AVSPGUKGEAQGHI-GARJFASQSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000662537722 412208566 /nfs/dbraw/zinc/20/85/66/412208566.db2.gz FEJBNTCGXKBPQK-UHFFFAOYSA-N 2 0 227.352 0.537 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000662539007 412209072 /nfs/dbraw/zinc/20/90/72/412209072.db2.gz XVYMQOBWFHLERI-NSHDSACASA-N 2 0 227.352 0.537 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000665273829 412215970 /nfs/dbraw/zinc/21/59/70/412215970.db2.gz FAEQFKDZLLQCQM-AXFHLTTASA-N 2 0 225.336 0.515 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662548180 412211358 /nfs/dbraw/zinc/21/13/58/412211358.db2.gz CLLCMWIHJUEYKF-MBYGNEARSA-N 2 0 239.363 0.726 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662548399 412211479 /nfs/dbraw/zinc/21/14/79/412211479.db2.gz DXXYMIWMFKUOND-ZWNOBZJWSA-N 2 0 247.342 0.932 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000662550236 412212282 /nfs/dbraw/zinc/21/22/82/412212282.db2.gz FIZBZQQZAWSTAJ-CMPLNLGQSA-N 2 0 241.379 0.851 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000662395133 412144279 /nfs/dbraw/zinc/14/42/79/412144279.db2.gz QMGGWADHOXBXPG-NWDGAFQWSA-N 2 0 248.330 0.159 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC(C[NH3+])CC1 ZINC000662395207 412144419 /nfs/dbraw/zinc/14/44/19/412144419.db2.gz RICPBPNOALSKCS-UHFFFAOYSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[NH2+]CC(=O)NCCNc1cc[nH+]cc1 ZINC000662395064 412144975 /nfs/dbraw/zinc/14/49/75/412144975.db2.gz POKAISVBCVEEBL-UHFFFAOYSA-N 2 0 236.319 0.030 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CCC[NH2+]C2)CC2(CCC2)C1 ZINC000662396010 412146324 /nfs/dbraw/zinc/14/63/24/412146324.db2.gz RHBJBLOIQBVVJT-JTQLQIEISA-N 2 0 237.347 0.516 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662397533 412147474 /nfs/dbraw/zinc/14/74/74/412147474.db2.gz FLLFCOSLSZLALJ-SECBINFHSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662397514 412147651 /nfs/dbraw/zinc/14/76/51/412147651.db2.gz GMSIDCWFHYEQCA-GWOFURMSSA-N 2 0 225.336 0.452 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000662404202 412149923 /nfs/dbraw/zinc/14/99/23/412149923.db2.gz QVHVITVVPKBLQF-SRVKXCTJSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000662403734 412150141 /nfs/dbraw/zinc/15/01/41/412150141.db2.gz OMAKKTXQUTYUDO-DCAQKATOSA-N 2 0 227.352 0.489 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H]([NH3+])C1 ZINC000662403544 412150818 /nfs/dbraw/zinc/15/08/18/412150818.db2.gz FYHUXYYKHGYWHI-QWRGUYRKSA-N 2 0 227.352 0.557 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000662406399 412151473 /nfs/dbraw/zinc/15/14/73/412151473.db2.gz YHFOQVFSIVUMSC-UWVGGRQHSA-N 2 0 213.325 0.100 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000662406398 412151665 /nfs/dbraw/zinc/15/16/65/412151665.db2.gz YHFOQVFSIVUMSC-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000662405609 412151740 /nfs/dbraw/zinc/15/17/40/412151740.db2.gz ZPMAILWHBRLGGS-LPEHRKFASA-N 2 0 213.325 0.099 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000662551271 412213569 /nfs/dbraw/zinc/21/35/69/412213569.db2.gz BHTZICAPCWGQJZ-BJDJZHNGSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+]CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662408745 412153684 /nfs/dbraw/zinc/15/36/84/412153684.db2.gz ZOECQQMZUXPOAJ-LBPRGKRZSA-N 2 0 233.315 0.557 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662408893 412154846 /nfs/dbraw/zinc/15/48/46/412154846.db2.gz CPHALOQFAVVKPO-NSHDSACASA-N 2 0 229.368 0.723 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000662412741 412155281 /nfs/dbraw/zinc/15/52/81/412155281.db2.gz IONQYDWCBBODAE-ZJUUUORDSA-N 2 0 213.325 0.100 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000662412652 412155348 /nfs/dbraw/zinc/15/53/48/412155348.db2.gz RPYUMNZVMVBAHJ-VHSXEESVSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000662412739 412155928 /nfs/dbraw/zinc/15/59/28/412155928.db2.gz IONQYDWCBBODAE-UWVGGRQHSA-N 2 0 213.325 0.100 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000662414801 412156705 /nfs/dbraw/zinc/15/67/05/412156705.db2.gz DUQRGBVLIQKPHT-GHMZBOCLSA-N 2 0 229.368 0.831 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662414351 412156812 /nfs/dbraw/zinc/15/68/12/412156812.db2.gz RAXVJPVLXBKHHM-MXWKQRLJSA-N 2 0 225.336 0.182 20 0 BCADRP CN(C(=O)C1([NH2+]C2CC2)CCC1)[C@H]1CC[NH2+]C1 ZINC000662415058 412157513 /nfs/dbraw/zinc/15/75/13/412157513.db2.gz MDEMJYRSNHHTOM-NSHDSACASA-N 2 0 237.347 0.481 20 0 BCADRP [NH3+]C[C@@H](NC(=O)CC1([NH3+])CC1)C1CCCCC1 ZINC000662417638 412158187 /nfs/dbraw/zinc/15/81/87/412158187.db2.gz MQXSNEGTVJIWRH-LLVKDONJSA-N 2 0 239.363 0.892 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662415979 412158985 /nfs/dbraw/zinc/15/89/85/412158985.db2.gz OYXPFEBLASUIFH-LLVKDONJSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)c1cccc2c1C[NH2+]C2 ZINC000662418367 412159542 /nfs/dbraw/zinc/15/95/42/412159542.db2.gz SSGXDFUMGSXVOJ-VIFPVBQESA-N 2 0 233.315 0.709 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC1(C[NH3+])CCCC1 ZINC000662417955 412160232 /nfs/dbraw/zinc/16/02/32/412160232.db2.gz YFDNRLIIRRGOGB-SECBINFHSA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000662421617 412161035 /nfs/dbraw/zinc/16/10/35/412161035.db2.gz FFAFYUUVLMKMAF-BDAKNGLRSA-N 2 0 201.314 0.084 20 0 BCADRP C[C@H]1CCCN(C(=O)C[C@H]2CC[NH2+]C2)[C@@H]1C[NH3+] ZINC000662420586 412162033 /nfs/dbraw/zinc/16/20/33/412162033.db2.gz BDNUKXPZNSKMIR-QJPTWQEYSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]C[C@H](NC(=O)c1cccc2c1C[NH2+]C2)C1CC1 ZINC000662422652 412162867 /nfs/dbraw/zinc/16/28/67/412162867.db2.gz YIRYFKOIJWSWRB-ZDUSSCGKSA-N 2 0 245.326 0.757 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662423948 412163702 /nfs/dbraw/zinc/16/37/02/412163702.db2.gz QEDJDVPJYBSIIE-LMLFDSFASA-N 2 0 225.336 0.310 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662423949 412163705 /nfs/dbraw/zinc/16/37/05/412163705.db2.gz QEDJDVPJYBSIIE-NAKRPEOUSA-N 2 0 225.336 0.310 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000662427338 412164888 /nfs/dbraw/zinc/16/48/88/412164888.db2.gz GJCWOQFKXGEVIN-LLVKDONJSA-N 2 0 229.368 0.816 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000662425228 412165108 /nfs/dbraw/zinc/16/51/08/412165108.db2.gz YSKAMNNDNCOPAH-KXUCPTDWSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000662429202 412166951 /nfs/dbraw/zinc/16/69/51/412166951.db2.gz UCNWJSDXYXXLEM-MNOVXSKESA-N 2 0 229.368 0.816 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[NH2+]C(C)C ZINC000662427520 412167429 /nfs/dbraw/zinc/16/74/29/412167429.db2.gz QDPJCHNIECSIIT-JTQLQIEISA-N 2 0 213.325 0.195 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662427403 412167500 /nfs/dbraw/zinc/16/75/00/412167500.db2.gz OEFVGMPFORHYEI-SNVBAGLBSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000662556885 412215857 /nfs/dbraw/zinc/21/58/57/412215857.db2.gz WUCYTEUUAVGHDF-VHSXEESVSA-N 2 0 213.325 0.371 20 0 BCADRP COC[C@@H](CC[NH2+][C@@H](C)C1C[NH2+]C1)OC ZINC000665234456 412173859 /nfs/dbraw/zinc/17/38/59/412173859.db2.gz DCFOJQUUZKBGQH-GXSJLCMTSA-N 2 0 216.325 0.235 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CO)C1CCC1 ZINC000665235518 412174242 /nfs/dbraw/zinc/17/42/42/412174242.db2.gz WYYUMESUWRYNRO-ATZCPNFKSA-N 2 0 200.326 0.863 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+](CC)C1CC1 ZINC000662438355 412174339 /nfs/dbraw/zinc/17/43/39/412174339.db2.gz ZPTIYKFLTNOUKM-LLVKDONJSA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](CC)[NH2+]C ZINC000662439338 412174995 /nfs/dbraw/zinc/17/49/95/412174995.db2.gz KPZWEYMWVWLPKU-GHMZBOCLSA-N 2 0 229.368 0.831 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCC1([NH3+])CCCC1 ZINC000662645750 412254979 /nfs/dbraw/zinc/25/49/79/412254979.db2.gz CVWGAFSHTGMANU-WDEREUQCSA-N 2 0 239.363 0.892 20 0 BCADRP C[C@@]1(C(=O)NCC2([NH3+])CCCC2)CC[NH2+]C1 ZINC000662649954 412256070 /nfs/dbraw/zinc/25/60/70/412256070.db2.gz TYDRVXYJPLNVMV-LLVKDONJSA-N 2 0 225.336 0.374 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC1([NH3+])CCCC1 ZINC000662648810 412256465 /nfs/dbraw/zinc/25/64/65/412256465.db2.gz KEFHRVJUUPRXLA-VIFPVBQESA-N 2 0 213.325 0.502 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H]2CCC[NH2+]2)CCCC1 ZINC000662655157 412257362 /nfs/dbraw/zinc/25/73/62/412257362.db2.gz NIZHMRSMDYMKHN-SECBINFHSA-N 2 0 211.309 0.126 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662650288 412257821 /nfs/dbraw/zinc/25/78/21/412257821.db2.gz YPORSZXEHZLTIF-SECBINFHSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)[NH+](C)C ZINC000662693037 412266955 /nfs/dbraw/zinc/26/69/55/412266955.db2.gz NCEFQGRFSHUJHN-NXEZZACHSA-N 2 0 227.352 0.441 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000662680958 412268683 /nfs/dbraw/zinc/26/86/83/412268683.db2.gz PRHLULBXYFWOQZ-XSRFYTQQSA-N 2 0 237.347 0.326 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662681456 412269733 /nfs/dbraw/zinc/26/97/33/412269733.db2.gz FHGMUFSUHNAKMC-MSLYCWSTSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000662682690 412269980 /nfs/dbraw/zinc/26/99/80/412269980.db2.gz RZNWDXGPLARDIS-BJDJZHNGSA-N 2 0 237.347 0.467 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000662685635 412270649 /nfs/dbraw/zinc/27/06/49/412270649.db2.gz WOMLBBABENRCAI-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]1[NH2+]CCC1(C)C)C1CC1 ZINC000662696490 412274236 /nfs/dbraw/zinc/27/42/36/412274236.db2.gz LIJRRWDDEDUAHW-NSHDSACASA-N 2 0 239.363 0.585 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](CCC)C1 ZINC000662702633 412275408 /nfs/dbraw/zinc/27/54/08/412275408.db2.gz AQJFQWVIHLSBHU-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662702740 412275550 /nfs/dbraw/zinc/27/55/50/412275550.db2.gz MEWYTAPZEMUHAK-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000662700373 412276058 /nfs/dbraw/zinc/27/60/58/412276058.db2.gz HTWURHFKBPGQDK-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000662711293 412279407 /nfs/dbraw/zinc/27/94/07/412279407.db2.gz AVAFQZOLFYRKSM-OPRDCNLKSA-N 2 0 225.336 0.323 20 0 BCADRP O=C(NCC12CC(C1)C[NH2+]2)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662714222 412281044 /nfs/dbraw/zinc/28/10/44/412281044.db2.gz BSPJGUMARKQUTC-PVLDGBANSA-N 2 0 249.358 0.385 20 0 BCADRP [NH3+][C@H](C(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000662722757 412283070 /nfs/dbraw/zinc/28/30/70/412283070.db2.gz CTYGOPLYSFBHOM-KHJSKFAYSA-N 2 0 245.326 0.555 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662725741 412284387 /nfs/dbraw/zinc/28/43/87/412284387.db2.gz VVWRWKWUDCECTJ-MXWKQRLJSA-N 2 0 229.368 0.849 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000662730040 412285164 /nfs/dbraw/zinc/28/51/64/412285164.db2.gz ZFPSXUFKKQKPDD-SDDRHHMPSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C[NH+](C)C ZINC000662728001 412285515 /nfs/dbraw/zinc/28/55/15/412285515.db2.gz DHINBRALNJUTLJ-SECBINFHSA-N 2 0 201.314 0.038 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)CCCC[NH3+] ZINC000662731105 412286574 /nfs/dbraw/zinc/28/65/74/412286574.db2.gz YLDIWYNQKCYKMF-SNVBAGLBSA-N 2 0 215.341 0.605 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662730845 412286856 /nfs/dbraw/zinc/28/68/56/412286856.db2.gz RIXRPGCZJBGFGB-GHMZBOCLSA-N 2 0 229.368 0.864 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662568047 412216067 /nfs/dbraw/zinc/21/60/67/412216067.db2.gz PLRVUJSGKPMTAM-WDEREUQCSA-N 2 0 229.368 0.851 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000662556505 412216382 /nfs/dbraw/zinc/21/63/82/412216382.db2.gz TURFOHNDNJAJON-OUAUKWLOSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000662556209 412216427 /nfs/dbraw/zinc/21/64/27/412216427.db2.gz NBLUCYSDQMBTGB-BBBLOLIVSA-N 2 0 213.325 0.371 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000662557149 412216600 /nfs/dbraw/zinc/21/66/00/412216600.db2.gz GPXQEHCLECVDFK-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000662556886 412216642 /nfs/dbraw/zinc/21/66/42/412216642.db2.gz WUCYTEUUAVGHDF-ZJUUUORDSA-N 2 0 213.325 0.371 20 0 BCADRP CC[C@H]1CN(C(=O)C[NH2+]C(C)C)CC[C@@H]1[NH3+] ZINC000662558060 412217302 /nfs/dbraw/zinc/21/73/02/412217302.db2.gz SLOBDDSENGXWLC-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000662560550 412218516 /nfs/dbraw/zinc/21/85/16/412218516.db2.gz GFGLSPLFEUPCPN-VHSXEESVSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277652 412220739 /nfs/dbraw/zinc/22/07/39/412220739.db2.gz HNDOBKNJDGTHRN-QTAHKJALSA-N 2 0 209.337 0.278 20 0 BCADRP C[C@@H]1C[C@H](NCC23CC(C2)C[NH2+]3)C[N@@H+]1C1CC1 ZINC000665277516 412221071 /nfs/dbraw/zinc/22/10/71/412221071.db2.gz DFDRRKNGBCCXRT-JJMZSNKZSA-N 2 0 235.375 0.953 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662566523 412221201 /nfs/dbraw/zinc/22/12/01/412221201.db2.gz WBJIEWGBKPENHJ-TXEJJXNPSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)CCO1 ZINC000665278342 412221641 /nfs/dbraw/zinc/22/16/41/412221641.db2.gz BLUCJANWLOGCIZ-ZYGVAYEYSA-N 2 0 210.321 0.896 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665279841 412222498 /nfs/dbraw/zinc/22/24/98/412222498.db2.gz NMEJCWXQNBAGQB-CQLXCSJHSA-N 2 0 223.364 0.716 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662566743 412222923 /nfs/dbraw/zinc/22/29/23/412222923.db2.gz QSRBBRUEGPPUPK-SNVBAGLBSA-N 2 0 233.315 0.757 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000662571459 412223796 /nfs/dbraw/zinc/22/37/96/412223796.db2.gz PBMUJTAKEDQISK-VHSXEESVSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)CC(N)=O ZINC000665279944 412224560 /nfs/dbraw/zinc/22/45/60/412224560.db2.gz PUZBKYKBZSMQER-RKDXNWHRSA-N 2 0 201.314 0.213 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000662571790 412225040 /nfs/dbraw/zinc/22/50/40/412225040.db2.gz KMOVVUQVOZUKGH-MNOVXSKESA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@@H]1C[NH3+] ZINC000662574642 412226185 /nfs/dbraw/zinc/22/61/85/412226185.db2.gz ORTLJNBCDXDLAW-YFKTTZPYSA-N 2 0 239.363 0.557 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000662574787 412226365 /nfs/dbraw/zinc/22/63/65/412226365.db2.gz PPEUGASKOQGVTH-MXWKQRLJSA-N 2 0 227.352 0.428 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000662584011 412228539 /nfs/dbraw/zinc/22/85/39/412228539.db2.gz JXLNZDCCNOBRSW-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCCC1CC[NH2+]CC1 ZINC000662585461 412231113 /nfs/dbraw/zinc/23/11/13/412231113.db2.gz YRNJVKJCKUEIRS-LLVKDONJSA-N 2 0 227.352 0.490 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC(CC[NH3+])CC1 ZINC000662584602 412231253 /nfs/dbraw/zinc/23/12/53/412231253.db2.gz PKDJLYCFOKRCJA-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000662606045 412235404 /nfs/dbraw/zinc/23/54/04/412235404.db2.gz WTCJHZPFOSMPMJ-SNVBAGLBSA-N 2 0 239.363 0.572 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C(C)(C)C[NH3+] ZINC000662604141 412235886 /nfs/dbraw/zinc/23/58/86/412235886.db2.gz BYUFHDCASKSVQZ-UHFFFAOYSA-N 2 0 201.314 0.167 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N(C)CC(C)(C)[NH3+] ZINC000662604996 412237246 /nfs/dbraw/zinc/23/72/46/412237246.db2.gz IMYXACFJSFLRSO-MRVPVSSYSA-N 2 0 201.314 0.165 20 0 BCADRP C[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291033 412237240 /nfs/dbraw/zinc/23/72/40/412237240.db2.gz RWNQTQXKNUWARC-SCZZXKLOSA-N 2 0 236.319 0.919 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)CC1([NH3+])CC1 ZINC000662733335 412287922 /nfs/dbraw/zinc/28/79/22/412287922.db2.gz JMHVSIINSSROGA-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C[C@H]1CSCC[NH2+]1 ZINC000662605899 412237563 /nfs/dbraw/zinc/23/75/63/412237563.db2.gz UBWXMRGHMOUEDH-VIFPVBQESA-N 2 0 245.392 0.277 20 0 BCADRP C[C@@H](CC1CC1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290594 412237757 /nfs/dbraw/zinc/23/77/57/412237757.db2.gz DKVOKKSRLYHUOD-QMMMGPOBSA-N 2 0 236.319 0.919 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)CC1CC[NH2+]CC1 ZINC000662605001 412237744 /nfs/dbraw/zinc/23/77/44/412237744.db2.gz IQLHGOCBYYOUNQ-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[C@@H](C(=O)N(C)CC(C)(C)[NH3+])[C@@H](C)[NH3+] ZINC000662605880 412237978 /nfs/dbraw/zinc/23/79/78/412237978.db2.gz SYNQHRVRMHIIBF-NXEZZACHSA-N 2 0 229.368 0.802 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCC[NH3+])C1 ZINC000662622192 412244452 /nfs/dbraw/zinc/24/44/52/412244452.db2.gz QGLCCXNVOGOLTA-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621847 412244525 /nfs/dbraw/zinc/24/45/25/412244525.db2.gz XMIUPZRYNLVASF-MNOVXSKESA-N 2 0 241.379 0.973 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621066 412245139 /nfs/dbraw/zinc/24/51/39/412245139.db2.gz TZKMKJKVJMLGQB-NSHDSACASA-N 2 0 241.379 0.973 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCOCCF ZINC000665299356 412245904 /nfs/dbraw/zinc/24/59/04/412245904.db2.gz LJHXFUQWVORAIF-ZJUUUORDSA-N 2 0 204.289 0.690 20 0 BCADRP CCn1nccc1C[NH2+][C@@H](CCC[NH3+])COC ZINC000665298884 412247805 /nfs/dbraw/zinc/24/78/05/412247805.db2.gz BUIAORWZXLUCDA-NSHDSACASA-N 2 0 240.351 0.747 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000665299292 412247942 /nfs/dbraw/zinc/24/79/42/412247942.db2.gz JYEGELURPUBUJA-DJLDLDEBSA-N 2 0 222.354 0.135 20 0 BCADRP C[C@@H](CCNC(=O)C[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000662629683 412249179 /nfs/dbraw/zinc/24/91/79/412249179.db2.gz AXVOBILSPYSQQS-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H](CCNC(=O)C[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000662632348 412250000 /nfs/dbraw/zinc/25/00/00/412250000.db2.gz CKNNHRVXWWEBFL-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H](CCNC(=O)C(C)(C)C[NH3+])[NH+](C)C ZINC000662632317 412250199 /nfs/dbraw/zinc/25/01/99/412250199.db2.gz BRIURLQXFPAHID-VIFPVBQESA-N 2 0 215.341 0.428 20 0 BCADRP C[C@@H](CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000662633088 412251470 /nfs/dbraw/zinc/25/14/70/412251470.db2.gz JKYYIHXBWNJLGC-SRVKXCTJSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H](CCNC(=O)c1coc(C[NH3+])c1)[NH+](C)C ZINC000662635424 412251769 /nfs/dbraw/zinc/25/17/69/412251769.db2.gz VLZDPCSOFUTADO-SECBINFHSA-N 2 0 239.319 0.808 20 0 BCADRP C[C@@H](CCNC(=O)[C@@]1(C)CC[NH2+]C1)[NH+](C)C ZINC000662635019 412251778 /nfs/dbraw/zinc/25/17/78/412251778.db2.gz TYBIQCWSDRMXDV-JQWIXIFHSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[NH2+]C1)[C@H]([NH3+])c1ccccc1 ZINC000662639471 412252148 /nfs/dbraw/zinc/25/21/48/412252148.db2.gz BLYYWDKBJQXLNE-WXHSDQCUSA-N 2 0 247.342 0.801 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)CC1([NH3+])CC1 ZINC000662802344 412306189 /nfs/dbraw/zinc/30/61/89/412306189.db2.gz NWKHNYWGICYGQR-UHFFFAOYSA-N 2 0 225.336 0.420 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)[C@@H]2C1 ZINC000662806621 412307349 /nfs/dbraw/zinc/30/73/49/412307349.db2.gz SJMYKKQYBBYCML-FIQHERPVSA-N 2 0 237.347 0.276 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000662820835 412308013 /nfs/dbraw/zinc/30/80/13/412308013.db2.gz LLPLFGJQJHDHEF-OPRDCNLKSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C1([NH2+]C2CC2)CCC1 ZINC000662817681 412309659 /nfs/dbraw/zinc/30/96/59/412309659.db2.gz VHQLTTBVABCDPF-UHFFFAOYSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2C[C@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000662817562 412309690 /nfs/dbraw/zinc/30/96/90/412309690.db2.gz JILMILMGRUMXRS-LZQZFOIKSA-N 2 0 239.363 0.556 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000662818633 412310067 /nfs/dbraw/zinc/31/00/67/412310067.db2.gz CCXWAEGJLXDVQA-OUAUKWLOSA-N 2 0 243.351 0.125 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662821551 412310748 /nfs/dbraw/zinc/31/07/48/412310748.db2.gz HCHKLZIHZFQHJE-UHFFFAOYSA-N 2 0 239.363 0.811 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000662823215 412311983 /nfs/dbraw/zinc/31/19/83/412311983.db2.gz PZQCJWHPUCXUFW-GFCCVEGCSA-N 2 0 235.331 0.760 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000662824345 412312040 /nfs/dbraw/zinc/31/20/40/412312040.db2.gz KQSQAZDBDRIFNF-DCAQKATOSA-N 2 0 237.347 0.515 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H](CC)[NH2+]C ZINC000662822281 412312080 /nfs/dbraw/zinc/31/20/80/412312080.db2.gz MAERTWMJUZFZJO-LLVKDONJSA-N 2 0 229.368 0.785 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCCC[NH2+]C1CC1 ZINC000662823914 412312197 /nfs/dbraw/zinc/31/21/97/412312197.db2.gz KFRDHJNCOSWERN-JTQLQIEISA-N 2 0 213.325 0.243 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662825065 412312729 /nfs/dbraw/zinc/31/27/29/412312729.db2.gz YKKUMTWSARVIDV-ZJUUUORDSA-N 2 0 239.363 0.890 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662831171 412313611 /nfs/dbraw/zinc/31/36/11/412313611.db2.gz CYRHSFVLAGFSEK-TVWIJHCHSA-N 2 0 225.336 0.180 20 0 BCADRP [NH3+]CCC1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662830777 412314193 /nfs/dbraw/zinc/31/41/93/412314193.db2.gz NXDNJWVDRAFJKQ-XYPYZODXSA-N 2 0 225.336 0.311 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000662834884 412315364 /nfs/dbraw/zinc/31/53/64/412315364.db2.gz XJXVNTKLGCCLCQ-DCAQKATOSA-N 2 0 243.351 0.077 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662837777 412316407 /nfs/dbraw/zinc/31/64/07/412316407.db2.gz KZICEJBNLOMQAC-GARJFASQSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+]CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662836781 412316799 /nfs/dbraw/zinc/31/67/99/412316799.db2.gz DIAVDCPMSHNMSX-NXEZZACHSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662837781 412316970 /nfs/dbraw/zinc/31/69/70/412316970.db2.gz KZICEJBNLOMQAC-MXWKQRLJSA-N 2 0 225.336 0.467 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000662845872 412319736 /nfs/dbraw/zinc/31/97/36/412319736.db2.gz YJJRCNBCLSBPQR-GFCCVEGCSA-N 2 0 227.352 0.572 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000662845473 412320177 /nfs/dbraw/zinc/32/01/77/412320177.db2.gz SGYUALLYVAORIT-JTQLQIEISA-N 2 0 241.379 0.960 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000662861049 412327857 /nfs/dbraw/zinc/32/78/57/412327857.db2.gz VIVQDQFKJQIKRK-BJDJZHNGSA-N 2 0 237.347 0.385 20 0 BCADRP C[C@H](CCNC(=O)[C@]1(C)CCC[NH2+]1)[NH+](C)C ZINC000662860972 412327863 /nfs/dbraw/zinc/32/78/63/412327863.db2.gz WIBFDPCLMLTXKG-PWSUYJOCSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H](CCNC(=O)[C@@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000662860924 412328154 /nfs/dbraw/zinc/32/81/54/412328154.db2.gz VNOOMKPAKHIILH-YPMHNXCESA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@]1(C(=O)N2CC3CC2(C[NH3+])C3)CCC[NH2+]1 ZINC000662876232 412333114 /nfs/dbraw/zinc/33/31/14/412333114.db2.gz RVPGSEWVIPJDOP-ZYXZCXLHSA-N 2 0 223.320 0.078 20 0 BCADRP CC[C@]1(C(=O)N2CC3CC2(C[NH3+])C3)CCC[NH2+]1 ZINC000662876077 412333687 /nfs/dbraw/zinc/33/36/87/412333687.db2.gz PRHHUTVOGCAVLK-KGPNIALWSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+]C1(C(=O)NCC23CC(C2)C[NH2+]3)CCCCC1 ZINC000662925378 412346678 /nfs/dbraw/zinc/34/66/78/412346678.db2.gz PJKAVZOZQWJPNI-UHFFFAOYSA-N 2 0 237.347 0.516 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663003451 412367589 /nfs/dbraw/zinc/36/75/89/412367589.db2.gz FZBDRSHUIFMDDU-LLVKDONJSA-N 2 0 213.325 0.372 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662945147 412350629 /nfs/dbraw/zinc/35/06/29/412350629.db2.gz GYENYLBGWBNIGS-OPRDCNLKSA-N 2 0 243.326 0.272 20 0 BCADRP [NH3+][C@@H]1CN(C(=O)C2([NH3+])CCCC2)CC[C@H]1F ZINC000662943934 412350664 /nfs/dbraw/zinc/35/06/64/412350664.db2.gz FENGPULXTUATCI-RKDXNWHRSA-N 2 0 229.299 0.156 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132905654 412351223 /nfs/dbraw/zinc/35/12/23/412351223.db2.gz SEPUZIDVGRGBDW-HBNTYKKESA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+](C)C ZINC000662945936 412351253 /nfs/dbraw/zinc/35/12/53/412351253.db2.gz XZXRRCFBUFNUDF-GMTAPVOTSA-N 2 0 245.342 0.470 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000662945158 412351668 /nfs/dbraw/zinc/35/16/68/412351668.db2.gz HMXRPOCUGREVKQ-CKYFFXLPSA-N 2 0 243.326 0.416 20 0 BCADRP CC[C@]1(C(=O)NC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000360466401 171711020 /nfs/dbraw/zinc/71/10/20/171711020.db2.gz LQAYZTQEIROCSM-PWSUYJOCSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000662964503 412356898 /nfs/dbraw/zinc/35/68/98/412356898.db2.gz FNKJEWVUQVUCPS-GUBZILKMSA-N 2 0 213.325 0.099 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@H](C)C[NH2+]C ZINC000662965342 412357290 /nfs/dbraw/zinc/35/72/90/412357290.db2.gz PHDBOAFHPCYLKK-BDAKNGLRSA-N 2 0 201.314 0.099 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000662965158 412357987 /nfs/dbraw/zinc/35/79/87/412357987.db2.gz MFRNWKIDKWPWHF-ADEWGFFLSA-N 2 0 239.363 0.346 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000662965965 412358128 /nfs/dbraw/zinc/35/81/28/412358128.db2.gz UUXBHGQCTBCDQT-SECBINFHSA-N 2 0 232.287 0.672 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]C ZINC000662966389 412358289 /nfs/dbraw/zinc/35/82/89/412358289.db2.gz RBBACCSFIYRPHI-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000662966307 412359018 /nfs/dbraw/zinc/35/90/18/412359018.db2.gz XGHGYRCQTOELAX-UWVGGRQHSA-N 2 0 229.368 0.735 20 0 BCADRP C[C@]1(NC(=O)CC2([NH3+])CCC2)CC[NH2+]C1 ZINC000663004160 412367993 /nfs/dbraw/zinc/36/79/93/412367993.db2.gz LKQJFJRLEDDLTJ-JTQLQIEISA-N 2 0 211.309 0.126 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662968484 412359387 /nfs/dbraw/zinc/35/93/87/412359387.db2.gz IYIPCKPGKPPTPS-SECBINFHSA-N 2 0 225.336 0.385 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000662968503 412359695 /nfs/dbraw/zinc/35/96/95/412359695.db2.gz JGVOSJIMOAMWBF-UWVGGRQHSA-N 2 0 213.325 0.100 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH2+]C)[C@H](C)C1 ZINC000662744058 412289698 /nfs/dbraw/zinc/28/96/98/412289698.db2.gz CCYXSIKFCYSACT-GRYCIOLGSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@@H]1C[C@@H](N(C)C(=O)CC2([NH3+])CC2)CC[N@@H+]1C ZINC000662746228 412289777 /nfs/dbraw/zinc/28/97/77/412289777.db2.gz SBTFOVBRLNDWKA-MNOVXSKESA-N 2 0 239.363 0.809 20 0 BCADRP C[C@H]1C[C@H](N(C)C(=O)CC2([NH3+])CC2)CC[N@@H+]1C ZINC000662746231 412289970 /nfs/dbraw/zinc/28/99/70/412289970.db2.gz SBTFOVBRLNDWKA-WDEREUQCSA-N 2 0 239.363 0.809 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662744917 412290298 /nfs/dbraw/zinc/29/02/98/412290298.db2.gz ADLKSBJDRZXZQY-KXUCPTDWSA-N 2 0 231.315 0.258 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CC2([NH3+])CC2)C[N@@H+]1C1CC1 ZINC000662755368 412290817 /nfs/dbraw/zinc/29/08/17/412290817.db2.gz YTIWZZIZBNEBRP-ZJUUUORDSA-N 2 0 237.347 0.609 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000662759316 412293009 /nfs/dbraw/zinc/29/30/09/412293009.db2.gz ZNKNUUVFWAPJAO-MNOVXSKESA-N 2 0 225.336 0.337 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000662762787 412293401 /nfs/dbraw/zinc/29/34/01/412293401.db2.gz BYQBMYLYLFWLQD-VHSXEESVSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662763738 412294003 /nfs/dbraw/zinc/29/40/03/412294003.db2.gz IJYVFUQMEGPELH-VIFPVBQESA-N 2 0 225.336 0.515 20 0 BCADRP [NH3+][C@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)C1CC1 ZINC000662763431 412294027 /nfs/dbraw/zinc/29/40/27/412294027.db2.gz BHGFTEQZOKABJR-SNVBAGLBSA-N 2 0 237.347 0.502 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662763944 412294547 /nfs/dbraw/zinc/29/45/47/412294547.db2.gz KRXZEVGQDZPXBA-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2[NH2+]CCC2(C)C)CC[NH2+]1 ZINC000662774704 412297865 /nfs/dbraw/zinc/29/78/65/412297865.db2.gz QXJTYAMJFYBFIA-MXWKQRLJSA-N 2 0 239.363 0.631 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662772977 412297948 /nfs/dbraw/zinc/29/79/48/412297948.db2.gz DIWPCHWPXFOQSJ-NXEZZACHSA-N 2 0 227.352 0.489 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000662773600 412298213 /nfs/dbraw/zinc/29/82/13/412298213.db2.gz VOXJGNYTKIFBKT-VHSXEESVSA-N 2 0 223.320 0.078 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000662777423 412299164 /nfs/dbraw/zinc/29/91/64/412299164.db2.gz BRUMQLPGZFLVJV-LPEHRKFASA-N 2 0 243.326 0.191 20 0 BCADRP [NH3+]C1(CC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000662777813 412299996 /nfs/dbraw/zinc/29/99/96/412299996.db2.gz DIRQJDHRNAWZIF-SECBINFHSA-N 2 0 223.320 0.126 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662778851 412300031 /nfs/dbraw/zinc/30/00/31/412300031.db2.gz GVYOEUKRSCUSSH-NQYKUJLISA-N 2 0 239.363 0.605 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662782485 412300553 /nfs/dbraw/zinc/30/05/53/412300553.db2.gz ZVYFROJEZJUWKP-ISUQUUIWSA-N 2 0 225.336 0.226 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000662785381 412301305 /nfs/dbraw/zinc/30/13/05/412301305.db2.gz PAIBKKTUYYZVOS-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000662785531 412301487 /nfs/dbraw/zinc/30/14/87/412301487.db2.gz POWSHCCYEDTQIO-HOMQSWHASA-N 2 0 231.299 0.966 20 0 BCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662792991 412304953 /nfs/dbraw/zinc/30/49/53/412304953.db2.gz QGCGETLXGOLIMU-SRVKXCTJSA-N 2 0 239.363 0.522 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663010961 412369878 /nfs/dbraw/zinc/36/98/78/412369878.db2.gz MWEMSPZHJBTMHT-NHCYSSNCSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@@H](C(=O)N[C@]1(C)CC[NH2+]C1)[NH+](CC)CC ZINC000663011730 412370111 /nfs/dbraw/zinc/37/01/11/412370111.db2.gz QTBKKOUMFFIMGP-WCQYABFASA-N 2 0 241.379 0.975 20 0 BCADRP C[C@]1(NC(=O)C[C@H]([NH3+])c2ccccc2)CC[NH2+]C1 ZINC000663012761 412370832 /nfs/dbraw/zinc/37/08/32/412370832.db2.gz YUPQWAKAXXWGFG-JSGCOSHPSA-N 2 0 247.342 0.945 20 0 BCADRP CC1CC[NH+](CC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000663014449 412371572 /nfs/dbraw/zinc/37/15/72/412371572.db2.gz VILOMKCQEARZCD-CYBMUJFWSA-N 2 0 239.363 0.587 20 0 BCADRP CCc1nocc1C[NH2+]CCOCC[NH+](C)C ZINC000339358849 172099870 /nfs/dbraw/zinc/09/98/70/172099870.db2.gz MGSFEEXNURABGY-UHFFFAOYSA-N 2 0 241.335 0.905 20 0 BCADRP CCn1cc(CN2CC[C@@H](C[NH2+]C)C2)cn1 ZINC000070800118 172166118 /nfs/dbraw/zinc/16/61/18/172166118.db2.gz AJLLRCVCLHKTKN-NSHDSACASA-N 2 0 222.336 0.944 20 0 BCADRP CN(C(=O)C(C)(C)[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000336598377 172295360 /nfs/dbraw/zinc/29/53/60/172295360.db2.gz RIKZEWQJLDNUKS-JTQLQIEISA-N 2 0 225.336 0.419 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000082594483 172358354 /nfs/dbraw/zinc/35/83/54/172358354.db2.gz IQDFVXJZJMQGDJ-LLVKDONJSA-N 2 0 227.352 0.668 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309395290 172359125 /nfs/dbraw/zinc/35/91/25/172359125.db2.gz STSRGIOOJSEEJT-WDEREUQCSA-N 2 0 225.336 0.006 20 0 BCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000132293361 172386820 /nfs/dbraw/zinc/38/68/20/172386820.db2.gz KIVFNQBQMZKCLD-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000040430470 172395302 /nfs/dbraw/zinc/39/53/02/172395302.db2.gz XCSVUWGAGUDJEY-VIFPVBQESA-N 2 0 213.325 0.195 20 0 BCADRP C[NH+](C)C/C=C/C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000363058359 172396381 /nfs/dbraw/zinc/39/63/81/172396381.db2.gz NRUZRYVIUKROFN-FUEXJSSKSA-N 2 0 237.347 0.411 20 0 BCADRP C[NH+](C)C/C=C/C(=O)N1CC[NH+]2CCC1CC2 ZINC000364930315 172398022 /nfs/dbraw/zinc/39/80/22/172398022.db2.gz DPTJBSKUFLTHAJ-ONEGZZNKSA-N 2 0 237.347 0.411 20 0 BCADRP C[NH+](C)C/C=C/C(=O)NC1CC[NH+](C)CC1 ZINC000265938430 172398990 /nfs/dbraw/zinc/39/89/90/172398990.db2.gz XMOOQBVDKJRISU-SNAWJCMRSA-N 2 0 225.336 0.315 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000019411835 172422536 /nfs/dbraw/zinc/42/25/36/172422536.db2.gz LQUWWSOJUWHJDJ-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000094647349 487624626 /nfs/dbraw/zinc/62/46/26/487624626.db2.gz RYJLOFNCVMQKGF-SRVKXCTJSA-N 2 0 239.363 0.442 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364564723 172624812 /nfs/dbraw/zinc/62/48/12/172624812.db2.gz UYTCHALSSGCADP-MFKMUULPSA-N 2 0 239.363 0.429 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364564717 172625555 /nfs/dbraw/zinc/62/55/55/172625555.db2.gz UYTCHALSSGCADP-GWCFXTLKSA-N 2 0 239.363 0.429 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000044526594 172985246 /nfs/dbraw/zinc/98/52/46/172985246.db2.gz RSZRQOSVLGYSPB-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CCCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000020217824 173012551 /nfs/dbraw/zinc/01/25/51/173012551.db2.gz JXKHAOVBDKLMKK-UHFFFAOYSA-N 2 0 225.336 0.150 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000246866909 173014288 /nfs/dbraw/zinc/01/42/88/173014288.db2.gz JHTPKFYUIGVNHV-WDEREUQCSA-N 2 0 225.336 0.278 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](O)C1 ZINC000305660807 173027147 /nfs/dbraw/zinc/02/71/47/173027147.db2.gz OFTHRMWRZMBWKG-NEPJUHHUSA-N 2 0 212.337 0.927 20 0 BCADRP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCC[NH3+] ZINC000371261588 173033846 /nfs/dbraw/zinc/03/38/46/173033846.db2.gz AWGADRZJBCYAAS-VXGBXAGGSA-N 2 0 239.363 0.811 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042171180 173043474 /nfs/dbraw/zinc/04/34/74/173043474.db2.gz SADCWKMZYUOLLO-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000040673645 173044522 /nfs/dbraw/zinc/04/45/22/173044522.db2.gz MOPWEKGNEWQRKR-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000226394580 173053020 /nfs/dbraw/zinc/05/30/20/173053020.db2.gz GRPKGLUGWSUJST-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C3C[NH2+]C3)CC[C@@H]21 ZINC000129082182 173058835 /nfs/dbraw/zinc/05/88/35/173058835.db2.gz OEALRTFTRUVKTM-JQWIXIFHSA-N 2 0 237.347 0.149 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000062855961 173145394 /nfs/dbraw/zinc/14/53/94/173145394.db2.gz GLLMLBMRASTLMW-DGCLKSJQSA-N 2 0 239.363 0.444 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000037484882 173145882 /nfs/dbraw/zinc/14/58/82/173145882.db2.gz QJVHVQVYVNJXBH-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP CNC(=[NH2+])NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000360285814 173209305 /nfs/dbraw/zinc/20/93/05/173209305.db2.gz VQDTWDNYAJBCCT-GHMZBOCLSA-N 2 0 240.351 0.231 20 0 BCADRP CNC(=O)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000043493534 173224582 /nfs/dbraw/zinc/22/45/82/173224582.db2.gz QRVILWGYILYQJD-LLVKDONJSA-N 2 0 239.363 0.444 20 0 BCADRP CNC(=O)CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000358020748 173241879 /nfs/dbraw/zinc/24/18/79/173241879.db2.gz GKBYVCNXYMEWBU-SDDRHHMPSA-N 2 0 241.379 0.831 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+]CCC[N@H+](C)CCOC ZINC000359081200 173280447 /nfs/dbraw/zinc/28/04/47/173280447.db2.gz JCYOHYBIHPVQJQ-LLVKDONJSA-N 2 0 245.367 0.069 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000336759466 173280571 /nfs/dbraw/zinc/28/05/71/173280571.db2.gz JAOBQZNRAWMQRJ-LLVKDONJSA-N 2 0 229.368 0.831 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000336761114 173282760 /nfs/dbraw/zinc/28/27/60/173282760.db2.gz KGJFXHLLVQCTEM-GARJFASQSA-N 2 0 227.352 0.441 20 0 BCADRP CNC(=O)[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000341865021 173296833 /nfs/dbraw/zinc/29/68/33/173296833.db2.gz DBPPLBNOBZZWDS-NEPJUHHUSA-N 2 0 241.379 0.831 20 0 BCADRP CNC(=O)[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000250397382 173307324 /nfs/dbraw/zinc/30/73/24/173307324.db2.gz RIORFFPCVVBEKT-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000371263362 173326530 /nfs/dbraw/zinc/32/65/30/173326530.db2.gz XWAGAMMZCPNGCH-MNOVXSKESA-N 2 0 225.336 0.291 20 0 BCADRP C[NH2+]CC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000037826934 173327120 /nfs/dbraw/zinc/32/71/20/173327120.db2.gz UEXXGSYDKJDMSI-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH2+]CC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000019517304 173328889 /nfs/dbraw/zinc/32/88/89/173328889.db2.gz UXBCSSOMFDQRGO-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]CC(=O)NCC[NH2+]C1CCCCCC1 ZINC000237225318 173329453 /nfs/dbraw/zinc/32/94/53/173329453.db2.gz FVHIXOTVWFLCNA-UHFFFAOYSA-N 2 0 227.352 0.634 20 0 BCADRP C[NH2+]CC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000237220628 173329461 /nfs/dbraw/zinc/32/94/61/173329461.db2.gz GMBXHAJLTNZJQI-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH2+]CC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000038029500 173329775 /nfs/dbraw/zinc/32/97/75/173329775.db2.gz AICSBSAIFQHFQK-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP C[NH2+]CC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000059930855 173329950 /nfs/dbraw/zinc/32/99/50/173329950.db2.gz HEUHFVYYJYPJMH-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP C[NH2+]CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000237251166 173330862 /nfs/dbraw/zinc/33/08/62/173330862.db2.gz CIXIGXCDFBXGHO-VIFPVBQESA-N 2 0 215.341 0.298 20 0 BCADRP C[NH2+]CC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000237258098 173332356 /nfs/dbraw/zinc/33/23/56/173332356.db2.gz FWIIGOSCXJJUHH-CYBMUJFWSA-N 2 0 249.358 0.495 20 0 BCADRP C[NH2+]CC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000040809143 173332634 /nfs/dbraw/zinc/33/26/34/173332634.db2.gz ZSFPXUQWTSOULF-GFCCVEGCSA-N 2 0 235.331 0.625 20 0 BCADRP C[NH2+]CC1CC[NH+](CCN2CCOCC2)CC1 ZINC000051756211 173338265 /nfs/dbraw/zinc/33/82/65/173338265.db2.gz UCEOIQYUNOHARS-UHFFFAOYSA-N 2 0 241.379 0.250 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000361725218 173338314 /nfs/dbraw/zinc/33/83/14/173338314.db2.gz CVLZMDIWEYOSNS-GFCCVEGCSA-N 2 0 243.326 0.146 20 0 BCADRP C[NH2+]CCC(=O)NCCC1CC[NH+](C)CC1 ZINC000125166788 173339839 /nfs/dbraw/zinc/33/98/39/173339839.db2.gz CYFPNGIQQJSNLA-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973396 173340099 /nfs/dbraw/zinc/34/00/99/173340099.db2.gz VFUHVVACTQMFDZ-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000375834068 173340243 /nfs/dbraw/zinc/34/02/43/173340243.db2.gz KKNXPNXRUALSCF-HBNTYKKESA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]CCC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000367648802 173340496 /nfs/dbraw/zinc/34/04/96/173340496.db2.gz MMPYEAOBGJNSER-UHFFFAOYSA-N 2 0 233.315 0.516 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000375991527 173340901 /nfs/dbraw/zinc/34/09/01/173340901.db2.gz MYLYDYDTHNQXIC-CYBMUJFWSA-N 2 0 247.342 0.599 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000221434355 173341305 /nfs/dbraw/zinc/34/13/05/173341305.db2.gz DJAVFUJTDGOVTR-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]CCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000357225463 173341502 /nfs/dbraw/zinc/34/15/02/173341502.db2.gz NIKVAQWUVKKLEY-SNVBAGLBSA-N 2 0 229.368 0.688 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC([NH+](C)C)CC1 ZINC000037477793 173343165 /nfs/dbraw/zinc/34/31/65/173343165.db2.gz PINYRLHICMULPM-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP C[NH2+]CCCC(=O)NCC(C)(C)C[NH+](C)C ZINC000037477516 173343633 /nfs/dbraw/zinc/34/36/33/173343633.db2.gz YECJNZZITMEVKE-UHFFFAOYSA-N 2 0 229.368 0.690 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227455203 173343787 /nfs/dbraw/zinc/34/37/87/173343787.db2.gz WBRDFRRXMYBHRU-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000340156188 173343828 /nfs/dbraw/zinc/34/38/28/173343828.db2.gz BENIZRVRTMTLDE-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726833 173344223 /nfs/dbraw/zinc/34/42/23/173344223.db2.gz LLKLYSGJQCKSPJ-SNVBAGLBSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000357294271 173344311 /nfs/dbraw/zinc/34/43/11/173344311.db2.gz JCVSDEQRVUDHEF-JBLDHEPKSA-N 2 0 227.352 0.489 20 0 BCADRP C[NH2+]CCCC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367365006 173344896 /nfs/dbraw/zinc/34/48/96/173344896.db2.gz JXCCPSIEVYMBFP-UHFFFAOYSA-N 2 0 248.330 0.665 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000237214822 173344900 /nfs/dbraw/zinc/34/49/00/173344900.db2.gz RGKOKHDEAYFLGX-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+]CCCN(C)CC[C@@H]([NH3+])C(C)C ZINC000309143424 173346113 /nfs/dbraw/zinc/34/61/13/173346113.db2.gz UHIOSMQNQWYQDV-LLVKDONJSA-N 2 0 201.358 0.901 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000124626208 173346140 /nfs/dbraw/zinc/34/61/40/173346140.db2.gz LTWJYNJDIVQZIA-ZDUSSCGKSA-N 2 0 249.358 0.624 20 0 BCADRP C[NH2+]CCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042396272 173346773 /nfs/dbraw/zinc/34/67/73/173346773.db2.gz ALZOHFPTKNFRRU-UHFFFAOYSA-N 3 0 213.369 0.870 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000375287329 173347848 /nfs/dbraw/zinc/34/78/48/173347848.db2.gz NSFMQADVEXVNEY-LLVKDONJSA-N 2 0 227.352 0.492 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000121101641 173348119 /nfs/dbraw/zinc/34/81/19/173348119.db2.gz STUCCSGWLMPHDT-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000083362625 173348315 /nfs/dbraw/zinc/34/83/15/173348315.db2.gz WDSQFFZWBWVAJP-GFCCVEGCSA-N 2 0 235.331 0.802 20 0 BCADRP C[NH2+]CCN(C)C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000237290769 173351349 /nfs/dbraw/zinc/35/13/49/173351349.db2.gz AWHFXZPJAMOALZ-NSHDSACASA-N 2 0 241.379 0.690 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000368127235 173351780 /nfs/dbraw/zinc/35/17/80/173351780.db2.gz WXBHTIXRQCIHOU-WDEREUQCSA-N 2 0 227.352 0.298 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000070304858 173352056 /nfs/dbraw/zinc/35/20/56/173352056.db2.gz SMCBFJKKZKIGDO-LBPRGKRZSA-N 2 0 235.331 0.234 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000237061054 173355215 /nfs/dbraw/zinc/35/52/15/173355215.db2.gz JTFUEIARPKWILN-JQWIXIFHSA-N 2 0 235.331 0.658 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000364643652 173362348 /nfs/dbraw/zinc/36/23/48/173362348.db2.gz WLDDWGSGEYKNAX-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000092133864 173363153 /nfs/dbraw/zinc/36/31/53/173363153.db2.gz VUXIEMUGYLVDPV-GHMZBOCLSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC000237066391 173367501 /nfs/dbraw/zinc/36/75/01/173367501.db2.gz ISAINIKVSFPRQF-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000226420519 173370269 /nfs/dbraw/zinc/37/02/69/173370269.db2.gz VHGPLZAYOBOPHO-LBPRGKRZSA-N 2 0 212.337 0.954 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000374630746 173373953 /nfs/dbraw/zinc/37/39/53/173373953.db2.gz NEDAMRIIFXSEIQ-BJDJZHNGSA-N 2 0 239.363 0.428 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000261551634 173374219 /nfs/dbraw/zinc/37/42/19/173374219.db2.gz QQEITJAYVCHWQL-AEJSXWLSSA-N 2 0 213.325 0.051 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000375069917 173374263 /nfs/dbraw/zinc/37/42/63/173374263.db2.gz DETPRDHANIBMBX-GUBZILKMSA-N 2 0 231.315 0.000 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357312928 173374695 /nfs/dbraw/zinc/37/46/95/173374695.db2.gz KKTPVRAMKDQNMB-VPOLOUISSA-N 2 0 227.352 0.345 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000237056601 173374928 /nfs/dbraw/zinc/37/49/28/173374928.db2.gz ZRBPADDAGASXQW-SDDRHHMPSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000237347831 173374935 /nfs/dbraw/zinc/37/49/35/173374935.db2.gz KZXCECBYMQQHNO-ONGXEEELSA-N 2 0 215.341 0.332 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000353181426 173375230 /nfs/dbraw/zinc/37/52/30/173375230.db2.gz FBCDTOGFGTYQSL-SRVKXCTJSA-N 2 0 241.379 0.592 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000040601356 173379189 /nfs/dbraw/zinc/37/91/89/173379189.db2.gz QVBRFFRQBPQJHA-CYBMUJFWSA-N 2 0 241.379 0.250 20 0 BCADRP C[NH2+]C[C@H]1CCCN(CC(=O)N(C)C)C1 ZINC000040601222 173379204 /nfs/dbraw/zinc/37/92/04/173379204.db2.gz PLNFAOPHERBXHB-SNVBAGLBSA-N 2 0 213.325 0.006 20 0 BCADRP C[NH2+]C[C@H]1CCCN1CCc1cnn(C)c1 ZINC000226428437 173379837 /nfs/dbraw/zinc/37/98/37/173379837.db2.gz DMHDMGYIQGHOSO-GFCCVEGCSA-N 2 0 222.336 0.646 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000334149382 173380762 /nfs/dbraw/zinc/38/07/62/173380762.db2.gz GJMXNWCGKYNGQM-YPMHNXCESA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000132798723 173432769 /nfs/dbraw/zinc/43/27/69/173432769.db2.gz WBESDVOXNTWAJQ-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335399261 487626461 /nfs/dbraw/zinc/62/64/61/487626461.db2.gz NYGGRWHONFJLEF-ZDUSSCGKSA-N 2 0 239.363 0.540 20 0 BCADRP COC1CC[NH+](C(C)(C)CNC(N)=[NH2+])CC1 ZINC000341599356 174027625 /nfs/dbraw/zinc/02/76/25/174027625.db2.gz PPUWPHSNOGTHBH-UHFFFAOYSA-N 2 0 228.340 0.359 20 0 BCADRP COCCC[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000361893636 174263317 /nfs/dbraw/zinc/26/33/17/174263317.db2.gz YAXOWUUKCLUIDJ-LBPRGKRZSA-N 2 0 244.379 0.848 20 0 BCADRP COCC[NH+](C)C/C=C/C[N@@H+](C)CCOC ZINC000122934923 174275574 /nfs/dbraw/zinc/27/55/74/174275574.db2.gz CMUHZLBZPAJTDB-AATRIKPKSA-N 2 0 230.352 0.699 20 0 BCADRP COCC[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000234650363 174278476 /nfs/dbraw/zinc/27/84/76/174278476.db2.gz NXNVPZMDUXONJN-QWRGUYRKSA-N 2 0 200.326 0.953 20 0 BCADRP COCC[NH2+]CC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000237233211 174331378 /nfs/dbraw/zinc/33/13/78/174331378.db2.gz VINOTVKJMCVKSS-LBPRGKRZSA-N 2 0 245.367 0.102 20 0 BCADRP COCCOCCN1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000377112478 174354504 /nfs/dbraw/zinc/35/45/04/174354504.db2.gz GACRGAINNPZJEG-CHWSQXEVSA-N 2 0 242.363 0.675 20 0 BCADRP COCCOCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000234648724 174354764 /nfs/dbraw/zinc/35/47/64/174354764.db2.gz BKEVCXBHZUCKIV-NSHDSACASA-N 2 0 216.325 0.320 20 0 BCADRP COCCOCCN1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000377112479 174355192 /nfs/dbraw/zinc/35/51/92/174355192.db2.gz GACRGAINNPZJEG-OLZOCXBDSA-N 2 0 242.363 0.675 20 0 BCADRP COCCOC[C@H](C)[NH2+][C@H]1CN(C)C[C@H]1C ZINC000309674665 174363539 /nfs/dbraw/zinc/36/35/39/174363539.db2.gz XJPZRBNEUAZXKB-WOPDTQHZSA-N 2 0 230.352 0.578 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)C[NH3+])C[NH+]1CCCCC1 ZINC000054342380 175705329 /nfs/dbraw/zinc/70/53/29/175705329.db2.gz KYDZDIPCKUPBON-NEPJUHHUSA-N 2 0 241.379 0.819 20 0 BCADRP C[C@@H]([NH3+])CCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368122556 175804854 /nfs/dbraw/zinc/80/48/54/175804854.db2.gz BBYPQTXZKBCWRG-ADEWGFFLSA-N 2 0 239.363 0.476 20 0 BCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C[NH3+])C1 ZINC000237399869 176097727 /nfs/dbraw/zinc/09/77/27/176097727.db2.gz AMGRDQSTTCMEAS-LLVKDONJSA-N 2 0 227.352 0.573 20 0 BCADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237540205 176097882 /nfs/dbraw/zinc/09/78/82/176097882.db2.gz RJWZCSDWSCFEJG-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CCC[C@](CNC(=O)CC[NH3+])([NH+](C)C)C1 ZINC000040670533 176152158 /nfs/dbraw/zinc/15/21/58/176152158.db2.gz AQDUBAHGIDLLPX-YPMHNXCESA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000368818781 176185248 /nfs/dbraw/zinc/18/52/48/176185248.db2.gz QNFPUIFZWQCYAA-BLFANLJRSA-N 2 0 237.347 0.100 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000357292437 176186912 /nfs/dbraw/zinc/18/69/12/176186912.db2.gz GETPHWHCKYJVTD-LDMBFOFVSA-N 2 0 239.363 0.617 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000357299302 176187361 /nfs/dbraw/zinc/18/73/61/176187361.db2.gz NDZKGCMQXHWGAP-DBIOUOCHSA-N 2 0 225.336 0.099 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000127158832 176187480 /nfs/dbraw/zinc/18/74/80/176187480.db2.gz SJBLJAHBVNDXMC-PWSUYJOCSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CN(C(=O)C2([NH3+])CCCC2)CC[NH2+]1 ZINC000188467893 176242736 /nfs/dbraw/zinc/24/27/36/176242736.db2.gz ADMRQLFQDFWQBQ-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@@H]1[NH3+] ZINC000333652242 176252528 /nfs/dbraw/zinc/25/25/28/176252528.db2.gz JZVJMOXSTCEDQH-VWYCJHECSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC[NH2+]1 ZINC000131880485 176257244 /nfs/dbraw/zinc/25/72/44/176257244.db2.gz KPBCFWZXIZCSBO-DGCLKSJQSA-N 2 0 247.342 0.377 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000188410675 176257711 /nfs/dbraw/zinc/25/77/11/176257711.db2.gz DAHKPCOAMOXWIL-ZYHUDNBSSA-N 2 0 233.315 0.507 20 0 BCADRP C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccccc2)CC[NH2+]1 ZINC000262932329 176258922 /nfs/dbraw/zinc/25/89/22/176258922.db2.gz SUYSNWDNCLOPCK-BXUZGUMPSA-N 2 0 247.342 0.681 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H](O)[C@H]1CCOC1 ZINC000358048269 176268401 /nfs/dbraw/zinc/26/84/01/176268401.db2.gz PBLYAQUGGNWJMC-VOAKCMCISA-N 2 0 242.363 0.314 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000340420806 176269695 /nfs/dbraw/zinc/26/96/95/176269695.db2.gz ZIRJAKPKAYOLEH-NDBYEHHHSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1COCCO1 ZINC000309792225 176271204 /nfs/dbraw/zinc/27/12/04/176271204.db2.gz PMYSRILVIDTMFS-GRYCIOLGSA-N 2 0 228.336 0.332 20 0 BCADRP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000362498295 176271755 /nfs/dbraw/zinc/27/17/55/176271755.db2.gz LLIMYRNIYVSNCS-MXWKQRLJSA-N 2 0 227.352 0.250 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH+](C)C ZINC000362357094 176275816 /nfs/dbraw/zinc/27/58/16/176275816.db2.gz DNWZTOFXRNJFJR-GHMZBOCLSA-N 2 0 227.352 0.252 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000336506042 176277749 /nfs/dbraw/zinc/27/77/49/176277749.db2.gz OZAJKTBKNFUXGS-DGCLKSJQSA-N 2 0 225.380 0.868 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1COCCO1 ZINC000038060878 176278633 /nfs/dbraw/zinc/27/86/33/176278633.db2.gz KMEHOFPZBWQXGE-LPWJVIDDSA-N 2 0 242.363 0.720 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCOCCO ZINC000300418630 176279113 /nfs/dbraw/zinc/27/91/13/176279113.db2.gz YFBTWINERVPSMY-UPJWGTAASA-N 2 0 244.379 0.704 20 0 BCADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCC[NH3+] ZINC000251638292 176323420 /nfs/dbraw/zinc/32/34/20/176323420.db2.gz FTGYNEFEGFUWFR-MNOVXSKESA-N 2 0 225.336 0.420 20 0 BCADRP C[C@@H]1C[NH2+]CCN1CCC1CC[NH2+]CC1 ZINC000108356881 176326794 /nfs/dbraw/zinc/32/67/94/176326794.db2.gz NQNZHZPFGNXDII-LLVKDONJSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000365334703 176327839 /nfs/dbraw/zinc/32/78/39/176327839.db2.gz RVZZOYWXAUIKQH-WOPDTQHZSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000336754184 176342256 /nfs/dbraw/zinc/34/22/56/176342256.db2.gz IAFYEGPQCKPKME-WYUUTHIRSA-N 2 0 212.337 0.951 20 0 BCADRP C[C@@H]1CSCCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336671385 176351467 /nfs/dbraw/zinc/35/14/67/176351467.db2.gz SFQUDCHYOLAZBG-ZYHUDNBSSA-N 2 0 244.404 0.879 20 0 BCADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C[NH3+])C1 ZINC000237463549 176360494 /nfs/dbraw/zinc/36/04/94/176360494.db2.gz DOHFIIFKFGGYSA-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N2CC[NH2+]CC2)C1 ZINC000019434778 176360716 /nfs/dbraw/zinc/36/07/16/176360716.db2.gz HXBAAJNRMXHTEV-VXGBXAGGSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CSCN2)CC[N@@H+]1C ZINC000132975667 176374120 /nfs/dbraw/zinc/37/41/20/176374120.db2.gz YUYPTIUYMZBORP-UTLUCORTSA-N 2 0 243.376 0.248 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000094648347 176457851 /nfs/dbraw/zinc/45/78/51/176457851.db2.gz FWOAMLOFZJKVCD-SRVKXCTJSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C(C)(C)C[NH3+] ZINC000044752129 176624658 /nfs/dbraw/zinc/62/46/58/176624658.db2.gz XKRFTUJWMRGZQM-SECBINFHSA-N 2 0 215.341 0.428 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000044808281 176656468 /nfs/dbraw/zinc/65/64/68/176656468.db2.gz GRAINDIZMCFROX-MRVPVSSYSA-N 2 0 201.314 0.038 20 0 BCADRP C[C@H](CNC(=O)CC[NH3+])C[NH+]1CCCCC1 ZINC000038042239 176672467 /nfs/dbraw/zinc/67/24/67/176672467.db2.gz FCBYRRREITULHM-LLVKDONJSA-N 2 0 227.352 0.573 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000336003846 176755735 /nfs/dbraw/zinc/75/57/35/176755735.db2.gz QUVPNHLOXUBLPG-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220875780 176755749 /nfs/dbraw/zinc/75/57/49/176755749.db2.gz IUXYTMNLPSZOGO-SDDRHHMPSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C)CC(C)(C)C[NH3+] ZINC000336728165 176757055 /nfs/dbraw/zinc/75/70/55/176757055.db2.gz CJAHDBRCQQRXFI-VIFPVBQESA-N 2 0 215.341 0.557 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000131627994 176765559 /nfs/dbraw/zinc/76/55/59/176765559.db2.gz HRIKTGCMUZAKRR-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH2+]Cc1nncn1C)C1CC[NH+](C)CC1 ZINC000038007736 176884751 /nfs/dbraw/zinc/88/47/51/176884751.db2.gz NRBGYPDNBXKGAO-JTQLQIEISA-N 2 0 237.351 0.635 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000019512864 177074612 /nfs/dbraw/zinc/07/46/12/177074612.db2.gz QNCTYLPLEIVUAZ-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]1CCC[C@](CNC(=O)CC[NH3+])([NH+](C)C)C1 ZINC000040670536 177143328 /nfs/dbraw/zinc/14/33/28/177143328.db2.gz AQDUBAHGIDLLPX-AAEUAGOBSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC000126109535 177175222 /nfs/dbraw/zinc/17/52/22/177175222.db2.gz NLMWXUASJUETSV-CMPLNLGQSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCC(C)(C)[NH+](C)C)C1 ZINC000126903863 177175800 /nfs/dbraw/zinc/17/58/00/177175800.db2.gz YZOBHOSLXBPJLL-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[NH2+]CC1 ZINC000336111976 177186089 /nfs/dbraw/zinc/18/60/89/177186089.db2.gz FBJSUNORZYWVLM-TXEJJXNPSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCCC[NH3+] ZINC000357805435 177199430 /nfs/dbraw/zinc/19/94/30/177199430.db2.gz XQKFTPQIVAPHGT-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C1CC[NH2+]CC1 ZINC000083354158 177213952 /nfs/dbraw/zinc/21/39/52/177213952.db2.gz TWCLZGCIMOJPOS-VHSXEESVSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000237629784 177224310 /nfs/dbraw/zinc/22/43/10/177224310.db2.gz DAHKPCOAMOXWIL-CMPLNLGQSA-N 2 0 233.315 0.507 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000362390423 177234679 /nfs/dbraw/zinc/23/46/79/177234679.db2.gz SMNAERXXTSQEFF-RYUDHWBXSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH+](C)C ZINC000362357097 177237052 /nfs/dbraw/zinc/23/70/52/177237052.db2.gz DNWZTOFXRNJFJR-WDEREUQCSA-N 2 0 227.352 0.252 20 0 BCADRP C[C@H]1CN(C)C[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335605721 177237688 /nfs/dbraw/zinc/23/76/88/177237688.db2.gz FPTCYSPKGIFOKC-WCQYABFASA-N 3 0 223.364 0.788 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000331821202 177242665 /nfs/dbraw/zinc/24/26/65/177242665.db2.gz ZGUDSWHAQZDEOW-IQJOONFLSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227410373 177279631 /nfs/dbraw/zinc/27/96/31/177279631.db2.gz NWPSSCNPVYZVNX-WOPDTQHZSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000333643043 177283094 /nfs/dbraw/zinc/28/30/94/177283094.db2.gz IPJGTAAKMIFMEB-AXFHLTTASA-N 2 0 240.351 0.130 20 0 BCADRP C[C@H]1C[NH2+]CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000108356869 177284293 /nfs/dbraw/zinc/28/42/93/177284293.db2.gz DMIXMQCSUZVZQA-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000377564340 177284512 /nfs/dbraw/zinc/28/45/12/177284512.db2.gz NRZYBENBYQHOFT-QCNOEVLYSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)CC[NH2+]1 ZINC000235691418 177308759 /nfs/dbraw/zinc/30/87/59/177308759.db2.gz UXSQQRRNTQTCGT-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CC[NH3+])C1 ZINC000237637389 177313083 /nfs/dbraw/zinc/31/30/83/177313083.db2.gz HYARGWQAQNKOSB-TXEJJXNPSA-N 2 0 241.379 0.819 20 0 BCADRP C[C@@H]1C[C@H](C)N(CC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000332191340 177323838 /nfs/dbraw/zinc/32/38/38/177323838.db2.gz ZIMRGRZSXDALNV-OUAUKWLOSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000131745224 177324928 /nfs/dbraw/zinc/32/49/28/177324928.db2.gz YEHVNTFGBDBODS-JQWIXIFHSA-N 2 0 247.342 0.955 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCn1cccn1 ZINC000122318045 177324958 /nfs/dbraw/zinc/32/49/58/177324958.db2.gz DQHHNKDWTQQFOA-QWRGUYRKSA-N 2 0 208.309 0.552 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH3+])CC[N@@H+]1C ZINC000132923660 177328669 /nfs/dbraw/zinc/32/86/69/177328669.db2.gz GWTDEJXCYCNVQR-IUCAKERBSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCn1cccn1 ZINC000122317666 177361255 /nfs/dbraw/zinc/36/12/55/177361255.db2.gz DQHHNKDWTQQFOA-WDEREUQCSA-N 2 0 208.309 0.552 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000131722203 177361242 /nfs/dbraw/zinc/36/12/42/177361242.db2.gz DXISTHWBVWGFHC-CMPLNLGQSA-N 2 0 247.342 0.955 20 0 BCADRP C[C@H]1C[C@H](NC(=O)c2c[nH+]ccc2N)CC[NH2+]1 ZINC000295005545 177367908 /nfs/dbraw/zinc/36/79/08/177367908.db2.gz LQFZKYRZVRJHJK-DTWKUNHWSA-N 2 0 234.303 0.534 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)OCCO)CC[N@@H+]1C ZINC000336724643 177369057 /nfs/dbraw/zinc/36/90/57/177369057.db2.gz USGLFFNXSZESFI-NWDGAFQWSA-N 2 0 244.379 0.846 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCN2CCC2)CC[N@@H+]1C ZINC000309098291 177369146 /nfs/dbraw/zinc/36/91/46/177369146.db2.gz DOYRWRDJQGZENF-NWDGAFQWSA-N 2 0 211.353 0.764 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC(=O)N(C)C ZINC000037751910 177369522 /nfs/dbraw/zinc/36/95/22/177369522.db2.gz KDNWHEHKQPFKGQ-WOPDTQHZSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCn2cccn2)CC[N@@H+]1C ZINC000128006743 177369981 /nfs/dbraw/zinc/36/99/81/177369981.db2.gz KVBPCEXVAZSMFN-NWDGAFQWSA-N 2 0 222.336 0.955 20 0 BCADRP C[C@H]1C[C@H]1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000336780840 177382074 /nfs/dbraw/zinc/38/20/74/177382074.db2.gz SGIXZDFMLXIBFR-STQMWFEESA-N 2 0 225.380 0.870 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333435456 177395303 /nfs/dbraw/zinc/39/53/03/177395303.db2.gz VHVIEJQGGWPCJE-MXWKQRLJSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000367386415 177395670 /nfs/dbraw/zinc/39/56/70/177395670.db2.gz SJJLOWGVCXUEOR-FBIMIBRVSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@]1(C(=O)NC[C@H]([NH3+])C2CC2)CCC[NH2+]C1 ZINC000237763462 177454627 /nfs/dbraw/zinc/45/46/27/177454627.db2.gz PJKXDISRRHFWAQ-JQWIXIFHSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@]1(C(=O)NC[C@H]([NH3+])C2CC2)CCCC[NH2+]1 ZINC000237763401 177455116 /nfs/dbraw/zinc/45/51/16/177455116.db2.gz GTDDMHGISCHHBB-CMPLNLGQSA-N 2 0 225.336 0.372 20 0 BCADRP CN(C(=O)C1([NH3+])CCCC1)[C@H]1CC[NH2+]C1 ZINC000178409434 487641198 /nfs/dbraw/zinc/64/11/98/487641198.db2.gz UQKBZMICGFXJJN-VIFPVBQESA-N 2 0 211.309 0.078 20 0 BCADRP COC[C@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400386460 225129795 /nfs/dbraw/zinc/12/97/95/225129795.db2.gz MAFIMCMNCWMFRO-GMTAPVOTSA-N 2 0 200.326 0.999 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[NH2+]CC1(C)C ZINC000393769181 487644113 /nfs/dbraw/zinc/64/41/13/487644113.db2.gz ISJAXCFDMZYYMY-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)C2([NH3+])CC2)CC1 ZINC000565659860 322933440 /nfs/dbraw/zinc/93/34/40/322933440.db2.gz PZRLBHIIHRTHBS-MGCOHNPYSA-N 2 0 225.336 0.359 20 0 BCADRP CCn1cc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000671623411 487649001 /nfs/dbraw/zinc/64/90/01/487649001.db2.gz BNVAIJNTEPHSNJ-CHWSQXEVSA-N 2 0 234.347 0.597 20 0 BCADRP C[NH+](C)C/C=C/C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000493824467 226255804 /nfs/dbraw/zinc/25/58/04/226255804.db2.gz OQURKDODUXEWPJ-RUULKOMLSA-N 2 0 237.347 0.267 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000493900369 226258322 /nfs/dbraw/zinc/25/83/22/226258322.db2.gz LOYWZUAFRJCTNO-ATZCPNFKSA-N 2 0 227.352 0.426 20 0 BCADRP COCC[N@H+](C)CCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400335040 226340985 /nfs/dbraw/zinc/34/09/85/226340985.db2.gz FTLYIYSGZJMVTM-NEPJUHHUSA-N 2 0 229.368 0.295 20 0 BCADRP C[NH2+]CCCN(C)C(=O)CCC(C)(C)[NH3+] ZINC000087471801 487659613 /nfs/dbraw/zinc/65/96/13/487659613.db2.gz RNXQXULIOZKRKY-UHFFFAOYSA-N 2 0 215.341 0.572 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662595259 487664711 /nfs/dbraw/zinc/66/47/11/487664711.db2.gz ZFTHYVAMAPJXOR-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)CC[NH2+]CC1CC1 ZINC000870948685 583931888 /nfs/dbraw/zinc/93/18/88/583931888.db2.gz YFGLPHSNQDIGDX-SNVBAGLBSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[NH3+] ZINC000307652136 229218248 /nfs/dbraw/zinc/21/82/48/229218248.db2.gz JILKFMLNCFFGLX-AAEUAGOBSA-N 2 0 247.342 0.582 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186718676 487675072 /nfs/dbraw/zinc/67/50/72/487675072.db2.gz WNMHTWXDLAOTFN-DCAQKATOSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000648109817 487682561 /nfs/dbraw/zinc/68/25/61/487682561.db2.gz VZIIRYSMYCXHIU-CYBMUJFWSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000653112644 487687673 /nfs/dbraw/zinc/68/76/73/487687673.db2.gz FJNCPJBGYXMZIX-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000669402965 487704172 /nfs/dbraw/zinc/70/41/72/487704172.db2.gz CBAXWCNDVXTAFB-GHMZBOCLSA-N 2 0 240.351 0.117 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)NC(C)(C)C[NH3+])C1 ZINC000669403086 487705070 /nfs/dbraw/zinc/70/50/70/487705070.db2.gz IOYWLTYRCUBERF-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000669403339 487705257 /nfs/dbraw/zinc/70/52/57/487705257.db2.gz VZEUACGBKRUULL-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)N2CCC[NH2+]CC2)C1 ZINC000669403042 487705724 /nfs/dbraw/zinc/70/57/24/487705724.db2.gz GKNBQMKDHWVHMD-NSHDSACASA-N 2 0 240.351 0.086 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000669403142 487705825 /nfs/dbraw/zinc/70/58/25/487705825.db2.gz LNNXRIFHCDYQRB-QWRGUYRKSA-N 2 0 240.351 0.117 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000669403335 487706254 /nfs/dbraw/zinc/70/62/54/487706254.db2.gz VULWCJYQIAMKDV-GHMZBOCLSA-N 2 0 240.351 0.213 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000309513857 487715808 /nfs/dbraw/zinc/71/58/08/487715808.db2.gz YASPQLHUHGAQAL-NXEZZACHSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000674245421 487718844 /nfs/dbraw/zinc/71/88/44/487718844.db2.gz LXOWVDAJGQIWSH-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662824990 487723379 /nfs/dbraw/zinc/72/33/79/487723379.db2.gz XLKBFRNUQSQUNK-NXEZZACHSA-N 2 0 239.363 0.903 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000249979931 487726527 /nfs/dbraw/zinc/72/65/27/487726527.db2.gz QZJJEUNFTYMBBX-QWHCGFSZSA-N 2 0 241.379 0.391 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CC1([NH3+])CCC1 ZINC000226394854 487731001 /nfs/dbraw/zinc/73/10/01/487731001.db2.gz OMAQPIRELJUROM-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000082772399 487731343 /nfs/dbraw/zinc/73/13/43/487731343.db2.gz CFMAJKZJIARGCS-VIFPVBQESA-N 2 0 225.336 0.467 20 0 BCADRP C[NH+](C)CCCCNC(=O)CC(C)(C)[NH3+] ZINC000082772431 487731679 /nfs/dbraw/zinc/73/16/79/487731679.db2.gz PESOVCLOWPCIRR-UHFFFAOYSA-N 2 0 215.341 0.572 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)CC(C)(C)[NH3+] ZINC000082772437 487731716 /nfs/dbraw/zinc/73/17/16/487731716.db2.gz CHLXLWGDYRBXKA-UHFFFAOYSA-N 2 0 229.368 0.914 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226403947 487734788 /nfs/dbraw/zinc/73/47/88/487734788.db2.gz SIHOOBDCXLALAL-GUBZILKMSA-N 2 0 213.325 0.323 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC[NH+]1CCCCC1 ZINC000049575505 487751789 /nfs/dbraw/zinc/75/17/89/487751789.db2.gz FKZYZJWKHODSQO-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP CC[NH2+]CCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659514448 487760074 /nfs/dbraw/zinc/76/00/74/487760074.db2.gz KCHOCDYATCROPQ-SNVBAGLBSA-N 2 0 230.356 0.269 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000357412278 487766846 /nfs/dbraw/zinc/76/68/46/487766846.db2.gz KUMCHVKIFFQNRC-NWDGAFQWSA-N 2 0 241.379 0.926 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655505231 487770419 /nfs/dbraw/zinc/77/04/19/487770419.db2.gz TVCIJNPRTMZJHO-YFKPBYRVSA-N 2 0 227.230 0.120 20 0 BCADRP [NH3+]C[C@H](NC(=O)NCC1([NH3+])CCCC1)C1CC1 ZINC000659519398 487776844 /nfs/dbraw/zinc/77/68/44/487776844.db2.gz RFEUFYGITFUQSW-JTQLQIEISA-N 2 0 240.351 0.294 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)[NH+](C)C)[NH+]1CCCC1 ZINC000674287626 487779130 /nfs/dbraw/zinc/77/91/30/487779130.db2.gz KNJVRRLYLWWNCI-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCCOCC1 ZINC000309213616 487780754 /nfs/dbraw/zinc/78/07/54/487780754.db2.gz FATLLGZKJMSOOA-GFCCVEGCSA-N 2 0 230.352 0.410 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)NCC[NH2+]C1CC1 ZINC000669420037 487809889 /nfs/dbraw/zinc/80/98/89/487809889.db2.gz OWISRXGCBWUIAD-SNVBAGLBSA-N 2 0 242.367 0.378 20 0 BCADRP C[N@H+](CCC[NH3+])CC(C)(C)CN1CCOCC1 ZINC000414704089 487819465 /nfs/dbraw/zinc/81/94/65/487819465.db2.gz KFJWLKCGZGTVRY-UHFFFAOYSA-N 2 0 243.395 0.625 20 0 BCADRP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCC[NH3+] ZINC000414745106 487821666 /nfs/dbraw/zinc/82/16/66/487821666.db2.gz PBALKYKNSPEJLI-MXWKQRLJSA-N 2 0 200.326 0.817 20 0 BCADRP C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCC[NH3+] ZINC000414745105 487822209 /nfs/dbraw/zinc/82/22/09/487822209.db2.gz PBALKYKNSPEJLI-GMTAPVOTSA-N 2 0 200.326 0.817 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCC[NH2+]1 ZINC000252714804 487830851 /nfs/dbraw/zinc/83/08/51/487830851.db2.gz SZHOSNJOPBWCLC-QJPTWQEYSA-N 2 0 237.347 0.481 20 0 BCADRP [NH3+]CCCNC[C@H]1[NH2+]CCc2ccccc21 ZINC000414959132 487831467 /nfs/dbraw/zinc/83/14/67/487831467.db2.gz RVQGFVBCUSFJON-CYBMUJFWSA-N 2 0 219.332 0.812 20 0 BCADRP [NH3+]CCCNC[C@@H]1[NH2+]CCc2ccccc21 ZINC000414959135 487831485 /nfs/dbraw/zinc/83/14/85/487831485.db2.gz RVQGFVBCUSFJON-ZDUSSCGKSA-N 2 0 219.332 0.812 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000156525551 487832420 /nfs/dbraw/zinc/83/24/20/487832420.db2.gz AJEDMYYOKZYEPU-DCAQKATOSA-N 2 0 227.352 0.522 20 0 BCADRP CC(C)([NH3+])CC(=O)NC1(C[NH3+])CCCC1 ZINC000309307536 487833908 /nfs/dbraw/zinc/83/39/08/487833908.db2.gz WCAIZXWTOSPNHP-UHFFFAOYSA-N 2 0 213.325 0.502 20 0 BCADRP CC(=O)N[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000252799737 487834529 /nfs/dbraw/zinc/83/45/29/487834529.db2.gz TXMFKVOEKPZTEA-CHWSQXEVSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]CCC[NH2+]CCn1c2ccccc2[nH]c1=O ZINC000415088696 487836289 /nfs/dbraw/zinc/83/62/89/487836289.db2.gz WTILPPBBVXSBFH-UHFFFAOYSA-N 2 0 234.303 0.680 20 0 BCADRP Cc1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)nc1 ZINC000156598369 487837515 /nfs/dbraw/zinc/83/75/15/487837515.db2.gz KLSVZKSHELSGTC-UHFFFAOYSA-N 2 0 248.374 0.727 20 0 BCADRP CCNC(=[NH2+])NCC[C@@H]1CCC[N@H+](C)C1 ZINC000849041664 588448170 /nfs/dbraw/zinc/44/81/70/588448170.db2.gz VDDZTGYSIRKSKV-JTQLQIEISA-N 2 0 212.341 0.852 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000659538541 487847568 /nfs/dbraw/zinc/84/75/68/487847568.db2.gz OITJKQIUGPKDBG-UWVGGRQHSA-N 2 0 242.367 0.635 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000666627545 487848212 /nfs/dbraw/zinc/84/82/12/487848212.db2.gz ATDONKSHOXSSBJ-SNVBAGLBSA-N 2 0 208.309 0.938 20 0 BCADRP [NH3+]CCC[NH2+][C@]1(CO)CCc2ccccc21 ZINC000666652668 487851932 /nfs/dbraw/zinc/85/19/32/487851932.db2.gz OWWMQZCIVHWEOQ-ZDUSSCGKSA-N 2 0 220.316 0.759 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000648121884 487854884 /nfs/dbraw/zinc/85/48/84/487854884.db2.gz SMYUKXGPBXFMPQ-ZJUUUORDSA-N 2 0 227.352 0.890 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000373091163 487858486 /nfs/dbraw/zinc/85/84/86/487858486.db2.gz VDYJAINZTACYKM-JTQLQIEISA-N 2 0 247.342 0.336 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000681789166 487862285 /nfs/dbraw/zinc/86/22/85/487862285.db2.gz LAQCULOMASHCII-VXGBXAGGSA-N 2 0 241.379 0.926 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000224907657 487868989 /nfs/dbraw/zinc/86/89/89/487868989.db2.gz YHRGXKDFFOLXKL-RYUDHWBXSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]1CN(C(=O)c2ccnc(C[NH3+])c2)[C@@H](C)C[NH2+]1 ZINC000564931833 322963407 /nfs/dbraw/zinc/96/34/07/322963407.db2.gz VCNLISKJAHLVHE-UWVGGRQHSA-N 2 0 248.330 0.363 20 0 BCADRP CC[C@](C)(C[NH3+])c1nc(C[C@H](C)[NH2+]C)no1 ZINC000569361473 322964199 /nfs/dbraw/zinc/96/41/99/322964199.db2.gz BRWWWUSJBMJUFM-GZMMTYOYSA-N 2 0 226.324 0.846 20 0 BCADRP [NH3+]C[C@@H](NC(=O)NCCC1(C[NH3+])CC1)C1CC1 ZINC000652207557 487879537 /nfs/dbraw/zinc/87/95/37/487879537.db2.gz NKWCDRRAFIIEAK-SNVBAGLBSA-N 2 0 240.351 0.152 20 0 BCADRP [NH3+]C/C=C/CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000652219893 487884584 /nfs/dbraw/zinc/88/45/84/487884584.db2.gz ORSVCTKRVOVHCH-OWOJBTEDSA-N 2 0 240.351 0.272 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCC1CC[NH2+]CC1 ZINC000652220842 487885541 /nfs/dbraw/zinc/88/55/41/487885541.db2.gz KQZVUSKHSPOTNN-NXEZZACHSA-N 2 0 242.367 0.411 20 0 BCADRP CC[C@H]1C[N@H+](CCOCC[NH3+])[C@@H](C)CO1 ZINC000403808059 487891410 /nfs/dbraw/zinc/89/14/10/487891410.db2.gz JYQQVZXUPITFHU-QWRGUYRKSA-N 2 0 216.325 0.461 20 0 BCADRP CC[C@H]1C[N@H+](CCOCC[NH3+])[C@H](C)CO1 ZINC000403808058 487891510 /nfs/dbraw/zinc/89/15/10/487891510.db2.gz JYQQVZXUPITFHU-MNOVXSKESA-N 2 0 216.325 0.461 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC[NH+]1CCCCCC1 ZINC000092135541 487898686 /nfs/dbraw/zinc/89/86/86/487898686.db2.gz GTBFJFYPIUFMAF-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C1CC[NH2+]CC1 ZINC000083367395 487904833 /nfs/dbraw/zinc/90/48/33/487904833.db2.gz NUVIYZPMRSGQGK-GFCCVEGCSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000417285128 487922847 /nfs/dbraw/zinc/92/28/47/487922847.db2.gz GQXXQPGWGKGVJZ-QWRGUYRKSA-N 2 0 244.383 0.753 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](C)CC[NH3+] ZINC000417306152 487923673 /nfs/dbraw/zinc/92/36/73/487923673.db2.gz ZMLYCBKPIYHBGK-WDEREUQCSA-N 2 0 244.383 0.753 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)NCC[C@H](C)[NH3+] ZINC000417293960 487923700 /nfs/dbraw/zinc/92/37/00/487923700.db2.gz APWIIXIWHXXJLL-QWRGUYRKSA-N 2 0 244.383 0.753 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)NCCCC[NH3+] ZINC000417298268 487923750 /nfs/dbraw/zinc/92/37/50/487923750.db2.gz KRCKZPGYGBMSPT-NSHDSACASA-N 2 0 244.383 0.755 20 0 BCADRP C[C@@H](C(=O)N(C)CC1([NH+](C)C)CCC1)[NH+](C)C ZINC000682172783 487925101 /nfs/dbraw/zinc/92/51/01/487925101.db2.gz WRDJRYHQDZROJU-NSHDSACASA-N 2 0 241.379 0.879 20 0 BCADRP CO[C@@]1(C[NH2+]CCC[NH+](C)C)CCOC1 ZINC000125778853 487927338 /nfs/dbraw/zinc/92/73/38/487927338.db2.gz QIQOVIHDPIOJMZ-LLVKDONJSA-N 2 0 216.325 0.333 20 0 BCADRP [NH3+]CCN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652364131 487932989 /nfs/dbraw/zinc/93/29/89/487932989.db2.gz ZBIBWFNUHDGDTP-QJPTWQEYSA-N 3 0 227.352 0.306 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659556367 487939149 /nfs/dbraw/zinc/93/91/49/487939149.db2.gz RWHALNAKXNFBFC-UTINFBMNSA-N 2 0 246.330 0.193 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000659556512 487940346 /nfs/dbraw/zinc/94/03/46/487940346.db2.gz UIHZXHSWCQXIEV-OUAUKWLOSA-N 2 0 244.383 0.785 20 0 BCADRP CC(C)[NH+](CCNC(=O)NC[C@@H](C)[NH3+])C(C)C ZINC000668565045 487941252 /nfs/dbraw/zinc/94/12/52/487941252.db2.gz LJENVAHYSZAFOF-LLVKDONJSA-N 2 0 244.383 0.752 20 0 BCADRP C[C@H](CNC(=O)CC[NH2+]C1CC1)[NH+](C)C ZINC000038089341 487947710 /nfs/dbraw/zinc/94/77/10/487947710.db2.gz XVJQHSLHUSCJPH-SECBINFHSA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188766624 487949875 /nfs/dbraw/zinc/94/98/75/487949875.db2.gz OXNCQXRNPDGVLF-ZDUSSCGKSA-N 2 0 247.342 0.889 20 0 BCADRP [NH3+]CCC(=O)NCc1ccc(C[NH3+])cc1 ZINC000569576860 322971187 /nfs/dbraw/zinc/97/11/87/322971187.db2.gz IIAYSDCUGMBOPL-UHFFFAOYSA-N 2 0 207.277 0.110 20 0 BCADRP [NH3+]CC1(C(=O)NCC[C@@H]2CC[NH2+]C2)CCCC1 ZINC000572600169 322971407 /nfs/dbraw/zinc/97/14/07/322971407.db2.gz DHNNFZSRRKXKCS-NSHDSACASA-N 2 0 239.363 0.621 20 0 BCADRP C[C@@H]1C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000569605690 322972517 /nfs/dbraw/zinc/97/25/17/322972517.db2.gz PFENRCJMIBRCSD-NOOOWODRSA-N 2 0 211.353 0.986 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000564941402 322976094 /nfs/dbraw/zinc/97/60/94/322976094.db2.gz RMJRMKBNAQIQHK-JTQLQIEISA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000565000056 322993983 /nfs/dbraw/zinc/99/39/83/322993983.db2.gz IPZNLEQNJDOHRJ-CYBMUJFWSA-N 2 0 247.342 0.904 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000561195411 322996868 /nfs/dbraw/zinc/99/68/68/322996868.db2.gz NYKZAUILGZEDJM-KXNHARMFSA-N 2 0 239.363 0.489 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449606284 323000688 /nfs/dbraw/zinc/00/06/88/323000688.db2.gz YEIRQCOGTXOHRF-IUCAKERBSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CC[NH3+] ZINC000566853724 323019201 /nfs/dbraw/zinc/01/92/01/323019201.db2.gz RYWYSAVSDYUVJJ-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000562805302 323031014 /nfs/dbraw/zinc/03/10/14/323031014.db2.gz GNIRDYLQJFCETJ-NSHDSACASA-N 2 0 227.352 0.633 20 0 BCADRP [NH3+][C@@H](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000562804918 323031135 /nfs/dbraw/zinc/03/11/35/323031135.db2.gz HMRJWVHABVUSNA-CYBMUJFWSA-N 2 0 247.342 0.378 20 0 BCADRP C[NH2+]CCC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404940973 323032000 /nfs/dbraw/zinc/03/20/00/323032000.db2.gz DYMXEEHVLRAGMS-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP C[NH2+]CCCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000569721389 323038610 /nfs/dbraw/zinc/03/86/10/323038610.db2.gz WUYZQZFAWWYDFA-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+][C@@H]1CCN(CCN2CCO[C@@H](C)C2)C1 ZINC000569723616 323038790 /nfs/dbraw/zinc/03/87/90/323038790.db2.gz GACMCZWXHHHPFL-NWDGAFQWSA-N 2 0 227.352 0.001 20 0 BCADRP C[C@@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC[NH2+]C1 ZINC000569723097 323038832 /nfs/dbraw/zinc/03/88/32/323038832.db2.gz BLLXUPITKMLJAW-NTZNESFSSA-N 2 0 237.347 0.054 20 0 BCADRP COCCCN(C)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000569745378 323039755 /nfs/dbraw/zinc/03/97/55/323039755.db2.gz UYDPKSGVZKUCIE-CHWSQXEVSA-N 2 0 243.395 0.814 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)C1CC[NH2+]CC1 ZINC000569848134 323042504 /nfs/dbraw/zinc/04/25/04/323042504.db2.gz RZSLIPJJHBEGDH-SCVCMEIPSA-N 2 0 239.363 0.489 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])C1 ZINC000569967373 323045955 /nfs/dbraw/zinc/04/59/55/323045955.db2.gz LMJVELRDXKKYEQ-WOPDTQHZSA-N 2 0 241.379 0.674 20 0 BCADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000569972488 323046114 /nfs/dbraw/zinc/04/61/14/323046114.db2.gz BJUZEVJBEYFOLR-LLVKDONJSA-N 2 0 219.288 0.706 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000570066442 323049176 /nfs/dbraw/zinc/04/91/76/323049176.db2.gz VULXSUAVKVCFCC-SNVBAGLBSA-N 2 0 229.368 0.864 20 0 BCADRP COC[C@H](C)C[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000570144017 323050780 /nfs/dbraw/zinc/05/07/80/323050780.db2.gz ZJESGUHZCXLBMK-NEPJUHHUSA-N 2 0 230.352 0.627 20 0 BCADRP [NH3+][C@@H](CNC(=O)CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000570278572 323054813 /nfs/dbraw/zinc/05/48/13/323054813.db2.gz DHHSGVXNJJXXAE-ONGXEEELSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+][C@@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000570278569 323054856 /nfs/dbraw/zinc/05/48/56/323054856.db2.gz DHHSGVXNJJXXAE-KOLCDFICSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000570307087 323055924 /nfs/dbraw/zinc/05/59/24/323055924.db2.gz BMGFWDQLCDRONR-WCQGTBRESA-N 2 0 237.347 0.337 20 0 BCADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C1CCCC1 ZINC000570320873 323055955 /nfs/dbraw/zinc/05/59/55/323055955.db2.gz HPRATONIPKNREC-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000570330259 323056485 /nfs/dbraw/zinc/05/64/85/323056485.db2.gz VAQRXCIZBWMTJR-NAKRPEOUSA-N 2 0 242.367 0.491 20 0 BCADRP CN1CC[NH2+]C[C@@H]1CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000570507426 323061341 /nfs/dbraw/zinc/06/13/41/323061341.db2.gz BKVDSSARRSILCM-AGIUHOORSA-N 2 0 240.395 0.140 20 0 BCADRP C[C@@]1(C(=O)N[C@@H](CC[NH3+])C(F)F)CC[NH2+]C1 ZINC000570514120 323061352 /nfs/dbraw/zinc/06/13/52/323061352.db2.gz GDZKTJOTEZZMGR-OIBJUYFYSA-N 2 0 235.278 0.085 20 0 BCADRP C[C@@]1(C(=O)N[C@H](CC[NH3+])C(F)F)CC[NH2+]C1 ZINC000570514119 323061392 /nfs/dbraw/zinc/06/13/92/323061392.db2.gz GDZKTJOTEZZMGR-GMSGAONNSA-N 2 0 235.278 0.085 20 0 BCADRP CCn1ncnc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000570582849 323063998 /nfs/dbraw/zinc/06/39/98/323063998.db2.gz LITWXUYTHXTIEX-UWVGGRQHSA-N 2 0 223.324 0.658 20 0 BCADRP C[NH+](C)CC1CCC(NC(=O)CCC[NH3+])CC1 ZINC000570681296 323066762 /nfs/dbraw/zinc/06/67/62/323066762.db2.gz MAOUFKVQHIXRDF-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000570716174 323068463 /nfs/dbraw/zinc/06/84/63/323068463.db2.gz BRQKTIJJTAKTAF-GARJFASQSA-N 2 0 244.383 0.929 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000570738709 323068847 /nfs/dbraw/zinc/06/88/47/323068847.db2.gz KYTMKUSYBVSMBA-UWVGGRQHSA-N 2 0 227.352 0.489 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000570800058 323071019 /nfs/dbraw/zinc/07/10/19/323071019.db2.gz ICEGDWPQJVFGGM-UWVGGRQHSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)C)C1 ZINC000570820708 323071573 /nfs/dbraw/zinc/07/15/73/323071573.db2.gz UWFCPRARMPBWCR-JTQLQIEISA-N 2 0 213.325 0.006 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH3+] ZINC000570840800 323072311 /nfs/dbraw/zinc/07/23/11/323072311.db2.gz IQAKMCPLHGMOEH-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000570845479 323072603 /nfs/dbraw/zinc/07/26/03/323072603.db2.gz MPMLIEXHSQOPIY-UWVGGRQHSA-N 2 0 229.368 0.994 20 0 BCADRP CC(C)([NH3+])C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000309420353 323082098 /nfs/dbraw/zinc/08/20/98/323082098.db2.gz WPUYAZJGXQXYAX-NSHDSACASA-N 2 0 230.352 0.899 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062971997 323088817 /nfs/dbraw/zinc/08/88/17/323088817.db2.gz AYRFDIJGXXTTEH-VWYCJHECSA-N 2 0 227.352 0.522 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H]1CCC[NH2+]1 ZINC000563105625 323092654 /nfs/dbraw/zinc/09/26/54/323092654.db2.gz BHXWDNUWQZVQGU-QWRGUYRKSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000563109726 323092901 /nfs/dbraw/zinc/09/29/01/323092901.db2.gz KXGGNGCBFNLNNE-MWLCHTKSSA-N 2 0 221.304 0.192 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000563109047 323093009 /nfs/dbraw/zinc/09/30/09/323093009.db2.gz ZBCXMELBGUTASB-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000563117704 323093299 /nfs/dbraw/zinc/09/32/99/323093299.db2.gz RMTJAAUHMIOIFI-UTUOFQBUSA-N 2 0 239.363 0.300 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC(C)(C)CCC[NH3+] ZINC000563163810 323098530 /nfs/dbraw/zinc/09/85/30/323098530.db2.gz YOESLXUIUUSTPJ-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000563169109 323099656 /nfs/dbraw/zinc/09/96/56/323099656.db2.gz DZLPYXKYNMVBBJ-GARJFASQSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000563169275 323099695 /nfs/dbraw/zinc/09/96/95/323099695.db2.gz GJRLBAGUQXINQP-YIZRAAEISA-N 2 0 201.314 0.212 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000563169108 323099709 /nfs/dbraw/zinc/09/97/09/323099709.db2.gz DZLPYXKYNMVBBJ-DCAQKATOSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@H]([NH3+])CC(F)F ZINC000563170487 323099942 /nfs/dbraw/zinc/09/99/42/323099942.db2.gz SDJRZBODHJDSPZ-ZCFIWIBFSA-N 2 0 223.267 0.213 20 0 BCADRP Cc1c[nH+]ccc1NC[C@H]1C[NH2+]CCN1C ZINC000394746999 323100791 /nfs/dbraw/zinc/10/07/91/323100791.db2.gz RGWXNTCQHBKLDX-LLVKDONJSA-N 2 0 220.320 0.127 20 0 BCADRP Cc1c[nH+]ccc1NC[C@@H]1C[NH2+]CCN1C ZINC000394747000 323100792 /nfs/dbraw/zinc/10/07/92/323100792.db2.gz RGWXNTCQHBKLDX-NSHDSACASA-N 2 0 220.320 0.127 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000563200963 323101424 /nfs/dbraw/zinc/10/14/24/323101424.db2.gz CTLQCRFRBCRIJB-TUAOUCFPSA-N 2 0 239.363 0.680 20 0 BCADRP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)[C@H]1CCCO1 ZINC000571058034 323106194 /nfs/dbraw/zinc/10/61/94/323106194.db2.gz KPGKRGGBUKXLOR-FRRDWIJNSA-N 2 0 244.379 0.846 20 0 BCADRP C[C@H](C(=O)NC[C@H]1CCC[C@H]([NH3+])C1)C1C[NH2+]C1 ZINC000564796861 323107138 /nfs/dbraw/zinc/10/71/38/323107138.db2.gz AYROFPSJXQVHAD-NHCYSSNCSA-N 2 0 239.363 0.476 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040624378 323109325 /nfs/dbraw/zinc/10/93/25/323109325.db2.gz QNVKRXAFSLDOOI-NWDGAFQWSA-N 2 0 241.379 0.816 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000309963880 323122651 /nfs/dbraw/zinc/12/26/51/323122651.db2.gz MPESRQUVRXMVRP-GRYCIOLGSA-N 2 0 230.352 0.456 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC1CC[NH2+]CC1 ZINC000563450216 323126384 /nfs/dbraw/zinc/12/63/84/323126384.db2.gz AWQWCWNZZVMFLM-UHFFFAOYSA-N 2 0 213.325 0.100 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C[NH2+]C(C)C ZINC000563451671 323126605 /nfs/dbraw/zinc/12/66/05/323126605.db2.gz OSVREDWLIZDWFZ-UHFFFAOYSA-N 2 0 215.341 0.618 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)CC[NH2+]C1CC1 ZINC000563548193 323129758 /nfs/dbraw/zinc/12/97/58/323129758.db2.gz CKLFLIYKHNIITL-SECBINFHSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000563583135 323130472 /nfs/dbraw/zinc/13/04/72/323130472.db2.gz RHSQAHNWUIRROZ-ZDUSSCGKSA-N 2 0 249.358 0.672 20 0 BCADRP C[C@@]1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CCC[NH2+]1 ZINC000563588302 323130713 /nfs/dbraw/zinc/13/07/13/323130713.db2.gz AATZYBZCDSLIRK-WPRPVWTQSA-N 2 0 247.289 0.242 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000563589017 323130715 /nfs/dbraw/zinc/13/07/15/323130715.db2.gz YNQJMPZTMXSUSR-NXEZZACHSA-N 2 0 213.325 0.372 20 0 BCADRP C[N@H+](CCOC[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000563622592 323132013 /nfs/dbraw/zinc/13/20/13/323132013.db2.gz JZGBFBWYLVWRQH-ZDUSSCGKSA-N 2 0 242.363 0.866 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1C[C@H](C)OC(C)(C)C1 ZINC000310493692 323132354 /nfs/dbraw/zinc/13/23/54/323132354.db2.gz GLTXVZWKRXZJPZ-NWDGAFQWSA-N 2 0 244.379 0.798 20 0 BCADRP C[NH2+]CCCNC(=O)c1ccccc1CC[NH3+] ZINC000563630666 323132638 /nfs/dbraw/zinc/13/26/38/323132638.db2.gz NZCAUDWYENDPOI-UHFFFAOYSA-N 2 0 235.331 0.527 20 0 BCADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC3CCCC3)CCN2C1=O ZINC000563635888 323132834 /nfs/dbraw/zinc/13/28/34/323132834.db2.gz MCLLDIDUOPKOKU-VXGBXAGGSA-N 2 0 237.347 0.420 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000571080737 323134985 /nfs/dbraw/zinc/13/49/85/323134985.db2.gz CTODWBIGLVNCJJ-QWRGUYRKSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000571082037 323135068 /nfs/dbraw/zinc/13/50/68/323135068.db2.gz LBQRRBMBGSVKRU-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000571157965 323136877 /nfs/dbraw/zinc/13/68/77/323136877.db2.gz XIJKDHCFKZQMQN-JQWIXIFHSA-N 2 0 227.352 0.348 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CC(F)F ZINC000571165686 323137247 /nfs/dbraw/zinc/13/72/47/323137247.db2.gz HMLCDPJXFBMRHL-RNFRBKRXSA-N 2 0 237.294 0.459 20 0 BCADRP [NH3+]CCCC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000571165901 323137272 /nfs/dbraw/zinc/13/72/72/323137272.db2.gz UDBYGTUGJMNNMK-SNVBAGLBSA-N 2 0 248.330 0.575 20 0 BCADRP COC[C@@H](C)C[NH2+]CCCN1CC[NH2+]CC1 ZINC000571265773 323139391 /nfs/dbraw/zinc/13/93/91/323139391.db2.gz QGTRLUXQZDZPHT-LBPRGKRZSA-N 2 0 229.368 0.154 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000571282309 323140074 /nfs/dbraw/zinc/14/00/74/323140074.db2.gz IRAFZZWJMWSJIO-JTQLQIEISA-N 2 0 247.342 0.875 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000571313434 323140965 /nfs/dbraw/zinc/14/09/65/323140965.db2.gz VGJZQIZQZBTQBB-MXWKQRLJSA-N 2 0 225.336 0.357 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C ZINC000571401967 323143633 /nfs/dbraw/zinc/14/36/33/323143633.db2.gz CMHDVRFFDQYHHM-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP [NH3+]CC(F)(F)Cc1nc(C2([NH3+])CCCC2)no1 ZINC000571449544 323145115 /nfs/dbraw/zinc/14/51/15/323145115.db2.gz HUHAYGROFVAPLF-UHFFFAOYSA-N 2 0 246.261 0.934 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CCSC2)C1 ZINC000571462881 323145476 /nfs/dbraw/zinc/14/54/76/323145476.db2.gz ZIEIRZNJULJHAF-MXWKQRLJSA-N 2 0 230.377 0.714 20 0 BCADRP CCC(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000571539637 323147628 /nfs/dbraw/zinc/14/76/28/323147628.db2.gz ZAYKYKOXNKMLGY-SRVKXCTJSA-N 2 0 239.363 0.857 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[NH2+]CC1 ZINC000571562305 323148040 /nfs/dbraw/zinc/14/80/40/323148040.db2.gz CDLKESNUIHEPMD-UHFFFAOYSA-N 2 0 234.303 0.193 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000571643585 323150687 /nfs/dbraw/zinc/15/06/87/323150687.db2.gz AGWJLDCFJLFZLZ-JOYOIKCWSA-N 2 0 225.336 0.230 20 0 BCADRP CO[C@@H]1CCN(C[C@@H]([NH3+])CC(C)C)[C@H](C[NH3+])C1 ZINC000414654297 323150998 /nfs/dbraw/zinc/15/09/98/323150998.db2.gz BWESESFZYWEJJL-RWMBFGLXSA-N 2 0 243.395 0.798 20 0 BCADRP CC[C@H](C(=O)NCC[N@@H+]1CC[C@H](C)C1)[NH+](C)C ZINC000531959095 323157894 /nfs/dbraw/zinc/15/78/94/323157894.db2.gz OWWZPLGVRJUMPL-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@@H](C(=O)NCC[N@@H+]1CC[C@@H](C)C1)[NH+](C)C ZINC000531959094 323158003 /nfs/dbraw/zinc/15/80/03/323158003.db2.gz OWWZPLGVRJUMPL-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP CNC(=O)CCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000398413342 323185726 /nfs/dbraw/zinc/18/57/26/323185726.db2.gz UQVBTJXVMUENSV-WDEREUQCSA-N 2 0 227.352 0.633 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000399095545 323196881 /nfs/dbraw/zinc/19/68/81/323196881.db2.gz VMBCXCXRJAUTND-LBPRGKRZSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2COCCN2)CC[N@@H+]1C ZINC000530222437 323218362 /nfs/dbraw/zinc/21/83/62/323218362.db2.gz NDXCEAYPBHDMNI-IJLUTSLNSA-N 2 0 227.352 0.047 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2COCCN2)CC[N@@H+]1C ZINC000530222438 323218498 /nfs/dbraw/zinc/21/84/98/323218498.db2.gz NDXCEAYPBHDMNI-UTUOFQBUSA-N 2 0 227.352 0.047 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2COCCN2)[C@H](C)C1 ZINC000530226750 323219567 /nfs/dbraw/zinc/21/95/67/323219567.db2.gz YJPXLLTZNBGHFW-AGIUHOORSA-N 2 0 241.379 0.295 20 0 BCADRP CC[C@@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000104533130 323275906 /nfs/dbraw/zinc/27/59/06/323275906.db2.gz IVABTLGVBZTLET-GFCCVEGCSA-N 2 0 243.395 0.984 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000309378918 323349242 /nfs/dbraw/zinc/34/92/42/323349242.db2.gz DAONRQACXGZRSJ-QMMMGPOBSA-N 2 0 213.325 0.310 20 0 BCADRP CC(C)C[C@H](CNC(=O)C1(C)C[NH2+]C1)[NH+](C)C ZINC000399511292 323397298 /nfs/dbraw/zinc/39/72/98/323397298.db2.gz ZNQIAMXKIIJAQU-LLVKDONJSA-N 2 0 241.379 0.688 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000564065219 323423570 /nfs/dbraw/zinc/42/35/70/323423570.db2.gz UPTIDWIRNDDBPC-DLOVCJGASA-N 2 0 239.363 0.618 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC[NH2+]C(C)(C)C ZINC000564081401 323426322 /nfs/dbraw/zinc/42/63/22/323426322.db2.gz QHEFRBGFYDBPBA-SNVBAGLBSA-N 2 0 229.368 0.879 20 0 BCADRP C[C@H]([NH3+])CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000571921289 323503098 /nfs/dbraw/zinc/50/30/98/323503098.db2.gz KGWMLMYLZUYZKV-WCQGTBRESA-N 2 0 227.352 0.162 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000572001541 323521015 /nfs/dbraw/zinc/52/10/15/323521015.db2.gz IIDKCDYXYVYSBX-SNVBAGLBSA-N 2 0 248.330 0.582 20 0 BCADRP CCn1ncnc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000572001395 323521316 /nfs/dbraw/zinc/52/13/16/323521316.db2.gz FMHLGUCXHBCOEI-UHFFFAOYSA-N 2 0 249.362 0.874 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000572245129 323571856 /nfs/dbraw/zinc/57/18/56/323571856.db2.gz PUAGKLVZLPGPIP-SECBINFHSA-N 2 0 221.304 0.356 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000572273706 323583909 /nfs/dbraw/zinc/58/39/09/323583909.db2.gz XYCMWUACCNSWKI-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000572361901 323608229 /nfs/dbraw/zinc/60/82/29/323608229.db2.gz HZRHLLGECNMCDD-CMPLNLGQSA-N 2 0 241.379 0.674 20 0 BCADRP C[C@H](CCO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000121318408 324011612 /nfs/dbraw/zinc/01/16/12/324011612.db2.gz KZBUNNCWHGWCDJ-GRYCIOLGSA-N 2 0 212.337 0.974 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000572485134 324126533 /nfs/dbraw/zinc/12/65/33/324126533.db2.gz IVBBBSDDIDWUTG-IQJOONFLSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@H](O)C[NH2+]CCC[N@H+](C)CCOC ZINC000572511827 324137479 /nfs/dbraw/zinc/13/74/79/324137479.db2.gz UQBYSTDWSNTNLW-NSHDSACASA-N 2 0 218.341 0.315 20 0 BCADRP CC[N@H+](CC(=O)NC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000152560284 324186140 /nfs/dbraw/zinc/18/61/40/324186140.db2.gz RISHUZJAIBXBPG-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000572525864 324189677 /nfs/dbraw/zinc/18/96/77/324189677.db2.gz UJYZPWHJPFHHDW-NTZNESFSSA-N 2 0 237.347 0.326 20 0 BCADRP CC(C)([NH3+])CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529333932 324275071 /nfs/dbraw/zinc/27/50/71/324275071.db2.gz PWDGWMDPMMRLBH-VIFPVBQESA-N 2 0 240.351 0.308 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCC(C)(C)[NH3+] ZINC000529331013 324275412 /nfs/dbraw/zinc/27/54/12/324275412.db2.gz DTFXUZZBVRDFKJ-SNVBAGLBSA-N 2 0 242.367 0.363 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000529344365 324277483 /nfs/dbraw/zinc/27/74/83/324277483.db2.gz XZUSCIMLSBMSTI-GHMZBOCLSA-N 2 0 242.367 0.363 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000158530323 487963797 /nfs/dbraw/zinc/96/37/97/487963797.db2.gz KGCRAVLVHMHPOU-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)C[C@H]1CC[NH2+]C1 ZINC000127665618 324781058 /nfs/dbraw/zinc/78/10/58/324781058.db2.gz NAPDACAVUDOBHB-DGCLKSJQSA-N 2 0 241.379 0.866 20 0 BCADRP O=C(NCCC[NH2+]C1CC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000564215430 324826357 /nfs/dbraw/zinc/82/63/57/324826357.db2.gz YQUDTNQXECLNNP-DGCLKSJQSA-N 2 0 237.347 0.244 20 0 BCADRP [NH3+]CCC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000083913243 487965499 /nfs/dbraw/zinc/96/54/99/487965499.db2.gz QXJFTMWBRFWATI-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000158550628 487965733 /nfs/dbraw/zinc/96/57/33/487965733.db2.gz NHOBNWLZICSKHF-HBNTYKKESA-N 2 0 225.336 0.337 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)NC/C=C\C[NH3+] ZINC000669477902 487966780 /nfs/dbraw/zinc/96/67/80/487966780.db2.gz GNVPWEDJWQFTMW-WAYWQWQTSA-N 2 0 242.367 0.532 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)C1CC1 ZINC000130504778 325058709 /nfs/dbraw/zinc/05/87/09/325058709.db2.gz RNTPTKOUKIQSTG-ZYHUDNBSSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000130504133 325058764 /nfs/dbraw/zinc/05/87/64/325058764.db2.gz RNTPTKOUKIQSTG-JQWIXIFHSA-N 2 0 239.363 0.442 20 0 BCADRP Cn1ccc(C[NH2+]CCOCC[NH+](C)C)n1 ZINC000231675738 325101151 /nfs/dbraw/zinc/10/11/51/325101151.db2.gz GXFOZAMYYXOBMB-UHFFFAOYSA-N 2 0 226.324 0.088 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)[C@H]2COCCN2)cc1 ZINC000131206711 325125607 /nfs/dbraw/zinc/12/56/07/325125607.db2.gz CIDJAVDBYORYQN-LLVKDONJSA-N 2 0 235.287 0.072 20 0 BCADRP CC[C@H](C(=O)NCC[NH+](C)C)[NH+](C)C ZINC000131279926 325133733 /nfs/dbraw/zinc/13/37/33/325133733.db2.gz RBJZZCPWWBLCQW-SECBINFHSA-N 2 0 201.314 0.004 20 0 BCADRP CC[C@H](C(=O)NCC[N@H+](C)C(C)C)[NH+](C)C ZINC000131472807 325155167 /nfs/dbraw/zinc/15/51/67/325155167.db2.gz PVCNJQXQXMUPHT-LLVKDONJSA-N 2 0 229.368 0.783 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(C)CC1 ZINC000131574101 325165507 /nfs/dbraw/zinc/16/55/07/325165507.db2.gz ZNPBTULLWLXHEL-LBPRGKRZSA-N 2 0 239.363 0.635 20 0 BCADRP C[NH2+]CCCNC(=O)CC[NH2+]C(C)C ZINC000131621776 325171066 /nfs/dbraw/zinc/17/10/66/325171066.db2.gz VRYBQFDBUZCEBQ-UHFFFAOYSA-N 2 0 201.314 0.100 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000131912058 325190521 /nfs/dbraw/zinc/19/05/21/325190521.db2.gz KHGOLQZEOGPING-DCAQKATOSA-N 2 0 227.352 0.700 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000073988519 325221854 /nfs/dbraw/zinc/22/18/54/325221854.db2.gz KSKGLUQHYORWCG-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000132911674 325252664 /nfs/dbraw/zinc/25/26/64/325252664.db2.gz STCNJOBUEJXWHN-WOPDTQHZSA-N 2 0 237.347 0.339 20 0 BCADRP CC[N@H+](CCNC(=O)NCC[NH+](C)C)C1CC1 ZINC000133583648 325302142 /nfs/dbraw/zinc/30/21/42/325302142.db2.gz VBDDVBCYNCXYSQ-UHFFFAOYSA-N 2 0 242.367 0.332 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000134995785 325387187 /nfs/dbraw/zinc/38/71/87/325387187.db2.gz DYQCUPBWWVQKNT-LBPRGKRZSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@H](C(=O)N1CC([NH+](C)C)C1)[NH+](C)C ZINC000135028387 325389225 /nfs/dbraw/zinc/38/92/25/325389225.db2.gz RJNLQRFKRKZQLS-SNVBAGLBSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H](C)[NH+](C)C ZINC000122221618 487969143 /nfs/dbraw/zinc/96/91/43/487969143.db2.gz BBRKQSXHSYEQAX-OUAUKWLOSA-N 2 0 227.352 0.665 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCCC1CC[NH+](C)CC1 ZINC000122179293 487969346 /nfs/dbraw/zinc/96/93/46/487969346.db2.gz RFQOFQJOJNYYMK-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)CC(=O)N(C)C ZINC000564821914 325812419 /nfs/dbraw/zinc/81/24/19/325812419.db2.gz LLFSMCFMKPECFE-NSHDSACASA-N 2 0 229.368 0.831 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000564838446 325814614 /nfs/dbraw/zinc/81/46/14/325814614.db2.gz MBVMQFGSXQHNSC-VHSXEESVSA-N 2 0 227.352 0.346 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000564936136 325828997 /nfs/dbraw/zinc/82/89/97/325828997.db2.gz DHMGIFUAUAQMBZ-GFCCVEGCSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@@H]1CCC[NH2+]1 ZINC000564994175 325843034 /nfs/dbraw/zinc/84/30/34/325843034.db2.gz AQOLYSRMVWJPST-UXGOBAPMSA-N 2 0 237.347 0.371 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CC[NH2+]C1)[C@H](C)[NH3+] ZINC000565250967 325887872 /nfs/dbraw/zinc/88/78/72/325887872.db2.gz VLQJVJUSLZRQEV-GUBZILKMSA-N 2 0 213.325 0.084 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000565421596 325908819 /nfs/dbraw/zinc/90/88/19/325908819.db2.gz ZLDWWJVPJBAEIJ-GHMZBOCLSA-N 2 0 221.304 0.540 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000565948882 325977537 /nfs/dbraw/zinc/97/75/37/325977537.db2.gz LIHSLLSEABUAMO-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000566206429 326006106 /nfs/dbraw/zinc/00/61/06/326006106.db2.gz KILIKXWBTUKCNF-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)CCCC[NH3+] ZINC000566184552 326007748 /nfs/dbraw/zinc/00/77/48/326007748.db2.gz MGKNOFBNNVYILZ-UHFFFAOYSA-N 2 0 215.341 0.620 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000566212051 326014316 /nfs/dbraw/zinc/01/43/16/326014316.db2.gz PVKDYFRHYHECOJ-IVZWLZJFSA-N 2 0 213.325 0.025 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000566191731 326009572 /nfs/dbraw/zinc/00/95/72/326009572.db2.gz CFZPIHWXSAMBPN-LPEHRKFASA-N 2 0 230.356 0.409 20 0 BCADRP CC1(CNC(=O)[C@H]([NH3+])C2CCC2)CC[NH2+]CC1 ZINC000566206892 326013109 /nfs/dbraw/zinc/01/31/09/326013109.db2.gz BGQFKLUXIXFXDA-LLVKDONJSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000566211294 326014254 /nfs/dbraw/zinc/01/42/54/326014254.db2.gz JCMBYVUZUPWWHT-YFKTTZPYSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000566212045 326014333 /nfs/dbraw/zinc/01/43/33/326014333.db2.gz PVKDYFRHYHECOJ-AEJSXWLSSA-N 2 0 213.325 0.025 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)CCCC[NH3+] ZINC000566213052 326014486 /nfs/dbraw/zinc/01/44/86/326014486.db2.gz YFLJSBCIMFIBJN-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP [NH3+]C1(c2noc([C@@]3(F)CC[NH2+]C3)n2)CCCC1 ZINC000566215823 326015801 /nfs/dbraw/zinc/01/58/01/326015801.db2.gz WCIKPTKXJLQDRY-SNVBAGLBSA-N 2 0 240.282 0.956 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000566244581 326022957 /nfs/dbraw/zinc/02/29/57/326022957.db2.gz YZHLWYIYQWFAHU-HTQZYQBOSA-N 2 0 235.278 0.179 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000566248945 326024037 /nfs/dbraw/zinc/02/40/37/326024037.db2.gz MMJZIRYQLNZIOJ-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP O=C([C@H]1CCCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000566252115 326024756 /nfs/dbraw/zinc/02/47/56/326024756.db2.gz GQHVVPSWWVCJHG-SDDRHHMPSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566287068 326029280 /nfs/dbraw/zinc/02/92/80/326029280.db2.gz XJTKKYPNZDUXCI-BBBLOLIVSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000566296314 326030272 /nfs/dbraw/zinc/03/02/72/326030272.db2.gz FJXUWACBEGVDDK-SRVKXCTJSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccccc2CC[NH3+])C[C@H]1[NH3+] ZINC000566405656 326040085 /nfs/dbraw/zinc/04/00/85/326040085.db2.gz BXMDGTICWWRCTO-ZWNOBZJWSA-N 2 0 247.342 0.607 20 0 BCADRP C[C@@H]1CN(CC[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)CCO1 ZINC000566412292 326040967 /nfs/dbraw/zinc/04/09/67/326040967.db2.gz DWSPMIBWYDANHM-JHJVBQTASA-N 2 0 241.379 0.519 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH2+]C)C[C@@H]1C ZINC000566471706 326050296 /nfs/dbraw/zinc/05/02/96/326050296.db2.gz YGJBIALHCOVBKA-SRVKXCTJSA-N 2 0 241.379 0.926 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH2+]C)C[C@H]1C ZINC000566471711 326050845 /nfs/dbraw/zinc/05/08/45/326050845.db2.gz YGJBIALHCOVBKA-WOPDTQHZSA-N 2 0 241.379 0.926 20 0 BCADRP CC[C@@]1(C(=O)N[C@H](C)CCC[NH3+])CCC[NH2+]1 ZINC000566621007 326069003 /nfs/dbraw/zinc/06/90/03/326069003.db2.gz RMIQZPFQEQXCSM-PWSUYJOCSA-N 2 0 227.352 0.762 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566739978 326079049 /nfs/dbraw/zinc/07/90/49/326079049.db2.gz LASWGRCEEFISKT-SVDPJWKOSA-N 2 0 237.347 0.323 20 0 BCADRP C[C@H]1CC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000566790749 326082453 /nfs/dbraw/zinc/08/24/53/326082453.db2.gz JXNDRCLXZNPTHC-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000566845293 326087239 /nfs/dbraw/zinc/08/72/39/326087239.db2.gz HTPKXTYQJGJYJO-GUBZILKMSA-N 2 0 225.336 0.241 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566855213 326088413 /nfs/dbraw/zinc/08/84/13/326088413.db2.gz WBYHJFBGVAAXID-KKOKHZNYSA-N 2 0 239.363 0.618 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000566913304 326093503 /nfs/dbraw/zinc/09/35/03/326093503.db2.gz XILVMSGSBLFKOY-UWVGGRQHSA-N 2 0 244.383 0.929 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000566913066 326093509 /nfs/dbraw/zinc/09/35/09/326093509.db2.gz PKVSANCNXFNQLS-HOSYDEDBSA-N 2 0 237.347 0.337 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000566913305 326093587 /nfs/dbraw/zinc/09/35/87/326093587.db2.gz XILVMSGSBLFKOY-VHSXEESVSA-N 2 0 244.383 0.929 20 0 BCADRP C[C@]1(CN2CCCO[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000566916173 326093855 /nfs/dbraw/zinc/09/38/55/326093855.db2.gz VQSIQGBPMGHIHC-NEPJUHHUSA-N 2 0 227.352 0.036 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567108374 326117106 /nfs/dbraw/zinc/11/71/06/326117106.db2.gz KNOGCDBRFPOZQI-MXWKQRLJSA-N 2 0 225.336 0.182 20 0 BCADRP CC[NH2+]CCCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000567159324 326125542 /nfs/dbraw/zinc/12/55/42/326125542.db2.gz GBPQUCCNUZKTFK-OLZOCXBDSA-N 2 0 241.379 0.343 20 0 BCADRP NC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000567179800 326130778 /nfs/dbraw/zinc/13/07/78/326130778.db2.gz VDPFFPPPJLMKEF-XWLWVQCSSA-N 2 0 225.336 0.500 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N(C)CC(C)(C)C[NH3+])CC[NH2+]1 ZINC000567235579 326147999 /nfs/dbraw/zinc/14/79/99/326147999.db2.gz QHEFNEINPLKBFY-QWRGUYRKSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H](C)C[NH3+] ZINC000567261675 326152349 /nfs/dbraw/zinc/15/23/49/326152349.db2.gz DGVLSQDAZKCKRX-WDEREUQCSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000567261674 326152413 /nfs/dbraw/zinc/15/24/13/326152413.db2.gz DGVLSQDAZKCKRX-QWRGUYRKSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)C1([NH3+])CCC1 ZINC000567268507 326153619 /nfs/dbraw/zinc/15/36/19/326153619.db2.gz CTVNOTFZBKAHMY-VIFPVBQESA-N 2 0 213.325 0.502 20 0 BCADRP [NH3+][C@H]1CCN(CCOC[C@@H]2CCCO2)C1 ZINC000309588851 326160940 /nfs/dbraw/zinc/16/09/40/326160940.db2.gz XTXZORWVZJICRM-QWRGUYRKSA-N 2 0 214.309 0.215 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000309784628 326163163 /nfs/dbraw/zinc/16/31/63/326163163.db2.gz NSFLIWUGFWMTEB-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000155236253 326189949 /nfs/dbraw/zinc/18/99/49/326189949.db2.gz AOYPCACEJJJNCL-GUBZILKMSA-N 2 0 213.325 0.180 20 0 BCADRP [NH3+]CCCCC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000567384154 326180861 /nfs/dbraw/zinc/18/08/61/326180861.db2.gz XDRUGJGQGPYGJX-LLVKDONJSA-N 2 0 227.352 0.749 20 0 BCADRP C[C@@]1(C(=O)NCCC[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000567454672 326195827 /nfs/dbraw/zinc/19/58/27/326195827.db2.gz RLEJZYWLAORCMV-YPMHNXCESA-N 2 0 239.363 0.777 20 0 BCADRP CC(C)[C@@H](C(=O)NCC1=CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000567463312 326197464 /nfs/dbraw/zinc/19/74/64/326197464.db2.gz YTUCNTMLYGDZDO-CMPLNLGQSA-N 2 0 239.363 0.642 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H](C)CCC[NH3+] ZINC000567470236 326199075 /nfs/dbraw/zinc/19/90/75/326199075.db2.gz WARLYKWMVXMERU-VIFPVBQESA-N 2 0 201.314 0.230 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC(CC[NH3+])CC1 ZINC000567481814 326201335 /nfs/dbraw/zinc/20/13/35/326201335.db2.gz WTRTZDMERMFODG-JTQLQIEISA-N 2 0 227.352 0.701 20 0 BCADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)COC)CC1 ZINC000155746844 326208875 /nfs/dbraw/zinc/20/88/75/326208875.db2.gz IRWBZQIBYQTTKO-OLZOCXBDSA-N 2 0 243.395 0.637 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000567586998 326223746 /nfs/dbraw/zinc/22/37/46/326223746.db2.gz PZWXMYMATYULCO-NEPJUHHUSA-N 2 0 233.315 0.540 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000567589741 326224854 /nfs/dbraw/zinc/22/48/54/326224854.db2.gz CEFKUWPQATZCCS-UWVGGRQHSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000567604977 326227632 /nfs/dbraw/zinc/22/76/32/326227632.db2.gz WXTFJHJRTVEBFZ-ATZCPNFKSA-N 2 0 225.336 0.323 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCC(C)(C)[NH3+] ZINC000572586664 326251148 /nfs/dbraw/zinc/25/11/48/326251148.db2.gz CZRAKPKQQXXFSK-JTQLQIEISA-N 2 0 242.367 0.459 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567737569 326253176 /nfs/dbraw/zinc/25/31/76/326253176.db2.gz QYGBIQIYHLDPCA-AXFHLTTASA-N 2 0 239.363 0.618 20 0 BCADRP Cn1cnc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000313248519 326260172 /nfs/dbraw/zinc/26/01/72/326260172.db2.gz BRKBAUUIBAZTFJ-GHMZBOCLSA-N 2 0 222.336 0.822 20 0 BCADRP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCCC[C@H]2O)CCCO1 ZINC000313349199 326264142 /nfs/dbraw/zinc/26/41/42/326264142.db2.gz LLPAAIZVDDVYRB-JHJVBQTASA-N 2 0 242.363 0.587 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000567824729 326264485 /nfs/dbraw/zinc/26/44/85/326264485.db2.gz BOOYGPSAKDMQHZ-ZJUUUORDSA-N 2 0 213.325 0.276 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)NCC[C@@H]1CC[NH2+]C1 ZINC000567828899 326264846 /nfs/dbraw/zinc/26/48/46/326264846.db2.gz QRJGCKNAHPPMJM-NEPJUHHUSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000567831047 326265700 /nfs/dbraw/zinc/26/57/00/326265700.db2.gz ISQQRBQZWDHNBR-ZMLRMANQSA-N 2 0 239.363 0.700 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000567833942 326266305 /nfs/dbraw/zinc/26/63/05/326266305.db2.gz FUZZTWIAOODJBG-GFCCVEGCSA-N 2 0 231.299 0.463 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000567834831 326266530 /nfs/dbraw/zinc/26/65/30/326266530.db2.gz IECBNXRZCJOYAF-HBNTYKKESA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000567839291 326267757 /nfs/dbraw/zinc/26/77/57/326267757.db2.gz GGOHWFFKKRKYNQ-CMPLNLGQSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000567846458 326269111 /nfs/dbraw/zinc/26/91/11/326269111.db2.gz CGUBFKBLHLBFAR-BQBZGAKWSA-N 2 0 241.257 0.510 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000567895350 326278508 /nfs/dbraw/zinc/27/85/08/326278508.db2.gz DMEXNWMNHLADKN-MNOVXSKESA-N 2 0 214.309 0.073 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000567901798 326280198 /nfs/dbraw/zinc/28/01/98/326280198.db2.gz SPLXKHIFWDUVIH-PTOFAABTSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)C(F)F ZINC000567912242 326282297 /nfs/dbraw/zinc/28/22/97/326282297.db2.gz KHNJZQHQGOFIHU-YUMQZZPRSA-N 2 0 235.278 0.227 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000567913610 326282342 /nfs/dbraw/zinc/28/23/42/326282342.db2.gz LISWLRGDOLUPJL-RITPCOANSA-N 2 0 227.230 0.120 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@@H](C)CCC[NH3+] ZINC000567912977 326282512 /nfs/dbraw/zinc/28/25/12/326282512.db2.gz YSCJJIAWHLPCTR-JTQLQIEISA-N 2 0 229.368 0.995 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CC1CC[NH2+]CC1 ZINC000567925867 326283823 /nfs/dbraw/zinc/28/38/23/326283823.db2.gz WQNQGUPJTZCJRX-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000567925827 326284219 /nfs/dbraw/zinc/28/42/19/326284219.db2.gz VNRVVLJXYIADDH-IVZWLZJFSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC)[NH+](C)C ZINC000157773959 326295415 /nfs/dbraw/zinc/29/54/15/326295415.db2.gz MQWAQSMXWVGPHU-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP [NH3+]CCC1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000568153066 326314309 /nfs/dbraw/zinc/31/43/09/326314309.db2.gz VFSSHEKPHJFJMX-UHFFFAOYSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@@H]1CN(C(=O)CC[NH2+]C2CC2)[C@@H](C)C[NH2+]1 ZINC000568230981 326328964 /nfs/dbraw/zinc/32/89/64/326328964.db2.gz IZBRUTSXNSYZBK-ZJUUUORDSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568248572 326334360 /nfs/dbraw/zinc/33/43/60/326334360.db2.gz VDIBVYJGADDZHJ-KKOKHZNYSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@H](C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)C1C[NH2+]C1 ZINC000568264739 326337213 /nfs/dbraw/zinc/33/72/13/326337213.db2.gz UNKLGQPXLMJOPN-BBBLOLIVSA-N 2 0 225.336 0.051 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000568265524 326337491 /nfs/dbraw/zinc/33/74/91/326337491.db2.gz BFORPIKLEPTJMH-CQSZACIVSA-N 2 0 247.342 0.956 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C[NH2+]C(C)C ZINC000568286683 326341193 /nfs/dbraw/zinc/34/11/93/326341193.db2.gz BWSZRTBKAGEYLR-SECBINFHSA-N 2 0 201.314 0.099 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000159067612 326348781 /nfs/dbraw/zinc/34/87/81/326348781.db2.gz JPNVUCNTIBFDMT-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000568371794 326350693 /nfs/dbraw/zinc/35/06/93/326350693.db2.gz WMVQLTBKNNDOAG-IJLUTSLNSA-N 2 0 239.363 0.620 20 0 BCADRP CC[NH+](CC)CCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000568390576 326352992 /nfs/dbraw/zinc/35/29/92/326352992.db2.gz VTXMCLIBMXINHD-WDEREUQCSA-N 2 0 244.383 0.753 20 0 BCADRP C[NH+](C)Cc1ccnc(NC(=O)C2([NH3+])CCC2)c1 ZINC000568389479 326353051 /nfs/dbraw/zinc/35/30/51/326353051.db2.gz KUOZJONGZQUTNO-UHFFFAOYSA-N 2 0 248.330 0.963 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000568393561 326353541 /nfs/dbraw/zinc/35/35/41/326353541.db2.gz GXPYNLBDABDLAF-UTUOFQBUSA-N 2 0 209.337 0.280 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000568509198 326361029 /nfs/dbraw/zinc/36/10/29/326361029.db2.gz CAVPUSCEHXYWIW-OUAUKWLOSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1C[C@@H](O)C[NH+](C)CC ZINC000568527091 326363287 /nfs/dbraw/zinc/36/32/87/326363287.db2.gz KWAVDRFAYPRMIK-STQMWFEESA-N 2 0 243.395 0.325 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000568626405 326368589 /nfs/dbraw/zinc/36/85/89/326368589.db2.gz DWIJEAHHIXUNPJ-GWCFXTLKSA-N 2 0 247.342 0.584 20 0 BCADRP CN(C(=O)CC[NH2+]C1CC1)[C@@H](C[NH3+])C1CC1 ZINC000568662732 326371600 /nfs/dbraw/zinc/37/16/00/326371600.db2.gz ITWDALYPZXVLGO-NSHDSACASA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]CC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000568864834 326379907 /nfs/dbraw/zinc/37/99/07/326379907.db2.gz RGLIONQFJOTISS-GFCCVEGCSA-N 2 0 235.331 0.802 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000568901341 326382149 /nfs/dbraw/zinc/38/21/49/326382149.db2.gz UHUYTHFMHAQUFG-GHMZBOCLSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000569105956 326390438 /nfs/dbraw/zinc/39/04/38/326390438.db2.gz DFWHCWPBYBRLAT-MMWGEVLESA-N 2 0 225.336 0.323 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000569117295 326390911 /nfs/dbraw/zinc/39/09/11/326390911.db2.gz FFAHTYCPGVKETN-SDDRHHMPSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]([NH3+])COC)c1 ZINC000569117245 326391452 /nfs/dbraw/zinc/39/14/52/326391452.db2.gz IQHJNIYYCWWJEL-NSHDSACASA-N 2 0 237.303 0.318 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H](C)C[C@@H](C)[NH3+])[NH+](C)C ZINC000569124519 326391996 /nfs/dbraw/zinc/39/19/96/326391996.db2.gz UUAYCROXSKJJNW-MXWKQRLJSA-N 2 0 229.368 0.815 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000572833872 326413842 /nfs/dbraw/zinc/41/38/42/326413842.db2.gz PWJDQOZTKFSSRQ-NEPJUHHUSA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)NCC[NH+](C)C ZINC000573190406 326434105 /nfs/dbraw/zinc/43/41/05/326434105.db2.gz UNFQQPDITYVLNR-UHFFFAOYSA-N 2 0 230.356 0.235 20 0 BCADRP CSC[C@@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000494186154 533712640 /nfs/dbraw/zinc/71/26/40/533712640.db2.gz PYKYWPQJJUDGHL-LBPRGKRZSA-N 2 0 246.420 0.984 20 0 BCADRP CN1CCN(C(=O)Nc2cccnc2)[C@H](C[NH3+])C1 ZINC000623067097 488001261 /nfs/dbraw/zinc/00/12/61/488001261.db2.gz ZCIWYTZGALVUNL-LLVKDONJSA-N 2 0 249.318 0.188 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC000235697163 488006140 /nfs/dbraw/zinc/00/61/40/488006140.db2.gz APNKWUYXRZBRED-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP COC[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000053172731 488009234 /nfs/dbraw/zinc/00/92/34/488009234.db2.gz KCOAJKSYNPPNIS-LBPRGKRZSA-N 2 0 243.395 0.637 20 0 BCADRP CC[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000229963139 488015386 /nfs/dbraw/zinc/01/53/86/488015386.db2.gz PMLPREZNXTZJHF-GMTAPVOTSA-N 2 0 200.326 0.864 20 0 BCADRP CC[C@H]1CN(CC(=O)NCC2CC2)CC[C@@H]1[NH3+] ZINC000147442765 488023616 /nfs/dbraw/zinc/02/36/16/488023616.db2.gz OQYDMFKTLGVYSH-RYUDHWBXSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](CCO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401068745 488024721 /nfs/dbraw/zinc/02/47/21/488024721.db2.gz ZYVTZVDPWMWRMB-WRWGMCAJSA-N 2 0 212.337 0.735 20 0 BCADRP Cc1cnn(CC[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000235935610 488032013 /nfs/dbraw/zinc/03/20/13/488032013.db2.gz DYSSSPHVCMFECE-LLVKDONJSA-N 2 0 208.309 0.472 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000084182416 488033501 /nfs/dbraw/zinc/03/35/01/488033501.db2.gz XJJCNELMCUWXRD-UHFFFAOYSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1CCc2nccn2C1 ZINC000655450361 488041043 /nfs/dbraw/zinc/04/10/43/488041043.db2.gz LGXZAMUGBWBVIV-NXEZZACHSA-N 2 0 236.319 0.157 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@]34C[C@@H]3C[NH2+]C4)C[C@@H]21 ZINC000663493927 488043262 /nfs/dbraw/zinc/04/32/62/488043262.db2.gz DUDLJDMNDCDRMH-RGDJUOJXSA-N 3 0 235.375 0.655 20 0 BCADRP [NH3+][C@@H]1Cc2ccccc2N(C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663499957 488049329 /nfs/dbraw/zinc/04/93/29/488049329.db2.gz XSBCIIJNVSPTSC-NFAWXSAZSA-N 2 0 243.354 0.986 20 0 BCADRP C[C@@H](NCc1nc2c(s1)C[NH2+]CC2)[C@H](C)[NH3+] ZINC000663500021 488049473 /nfs/dbraw/zinc/04/94/73/488049473.db2.gz YDHRHLUIYXKKBA-JGVFFNPUSA-N 2 0 240.376 0.614 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000084420006 488051375 /nfs/dbraw/zinc/05/13/75/488051375.db2.gz JXXAFGAEMKFSPE-JTQLQIEISA-N 2 0 227.352 0.666 20 0 BCADRP CC1(C)C[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CO1 ZINC000396892476 488057315 /nfs/dbraw/zinc/05/73/15/488057315.db2.gz QXSNIULZLOPVJB-AXFHLTTASA-N 2 0 210.321 0.705 20 0 BCADRP C[NH+](C)CC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000401340216 488063724 /nfs/dbraw/zinc/06/37/24/488063724.db2.gz BBKYVVPICIBOEN-SNVBAGLBSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@H]1COC(C)(C)C1 ZINC000396913895 488064800 /nfs/dbraw/zinc/06/48/00/488064800.db2.gz FISOSVVDGOTGDI-LLVKDONJSA-N 2 0 230.352 0.722 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000044538848 488071010 /nfs/dbraw/zinc/07/10/10/488071010.db2.gz BYXRZXVFZCJYNV-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000515174464 488071414 /nfs/dbraw/zinc/07/14/14/488071414.db2.gz JIAYQAPTJXYZFS-QWHCGFSZSA-N 3 0 241.379 0.032 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000236649385 488079837 /nfs/dbraw/zinc/07/98/37/488079837.db2.gz YTBXJTVLYQLWQO-LLVKDONJSA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000236685663 488080433 /nfs/dbraw/zinc/08/04/33/488080433.db2.gz YQTZAQPAROLRFM-JTQLQIEISA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H](C)[NH+](C)C ZINC000236687112 488081172 /nfs/dbraw/zinc/08/11/72/488081172.db2.gz SRIBIJPUNXDLAD-JQWIXIFHSA-N 2 0 229.368 0.816 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000257698328 488082663 /nfs/dbraw/zinc/08/26/63/488082663.db2.gz NNJYCXGRGOTARH-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP CCCN1CC[C@@H]([NH2+][C@H](CCC[NH3+])COC)C1 ZINC000389307172 488088007 /nfs/dbraw/zinc/08/80/07/488088007.db2.gz FNHZRBSBOPGYRN-CHWSQXEVSA-N 2 0 243.395 0.814 20 0 BCADRP CC(C)[C@H]1CN(C[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000257788017 488088771 /nfs/dbraw/zinc/08/87/71/488088771.db2.gz NEGDGLPVKZNIOG-QWHCGFSZSA-N 2 0 225.380 0.916 20 0 BCADRP C(c1nc([C@@H]2CCC[NH2+]2)no1)[C@@H]1CC[NH2+]C1 ZINC000257930443 488091817 /nfs/dbraw/zinc/09/18/17/488091817.db2.gz HAGMZEPNYZZHOS-IUCAKERBSA-N 2 0 222.292 0.646 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000236862819 488093198 /nfs/dbraw/zinc/09/31/98/488093198.db2.gz ILQMUVYMCQHWCY-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP C(c1nc([C@H]2CCC[NH2+]2)no1)[C@@H]1CCC[NH2+]1 ZINC000257994791 488094619 /nfs/dbraw/zinc/09/46/19/488094619.db2.gz LVRQLDHKDXHHCW-DTWKUNHWSA-N 2 0 222.292 0.789 20 0 BCADRP CCC[NH2+]CCNC(=O)CC1([NH3+])CCC1 ZINC000236905384 488098345 /nfs/dbraw/zinc/09/83/45/488098345.db2.gz CQFWAEKYFZXJMP-UHFFFAOYSA-N 2 0 213.325 0.374 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000378674085 488100301 /nfs/dbraw/zinc/10/03/01/488100301.db2.gz NDDCLRNVKIQEFN-NXEZZACHSA-N 2 0 213.325 0.180 20 0 BCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CC(C)(C)[NH3+] ZINC000237085153 488101141 /nfs/dbraw/zinc/10/11/41/488101141.db2.gz NIDZXYRSIWLCLF-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP CC(C)[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000229981103 488105110 /nfs/dbraw/zinc/10/51/10/488105110.db2.gz XIYKCJYPJUYMFJ-NEPJUHHUSA-N 2 0 230.352 0.050 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000669509142 488108082 /nfs/dbraw/zinc/10/80/82/488108082.db2.gz NTKPKLBMUKEQEA-LLVKDONJSA-N 2 0 241.379 0.880 20 0 BCADRP C[C@]1(C(=O)NCC2([NH3+])CCCCC2)CCC[NH2+]1 ZINC000669508299 488108835 /nfs/dbraw/zinc/10/88/35/488108835.db2.gz BIZQGJXMVOEDML-GFCCVEGCSA-N 2 0 239.363 0.906 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@]1(CC)CCC[NH2+]1 ZINC000669509152 488108983 /nfs/dbraw/zinc/10/89/83/488108983.db2.gz PWGSUMYVRQRIMT-LBPRGKRZSA-N 2 0 227.352 0.634 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000669509606 488109892 /nfs/dbraw/zinc/10/98/92/488109892.db2.gz HHTHMJYGHGNZCL-WOPDTQHZSA-N 2 0 239.363 0.633 20 0 BCADRP O=C(C[NH2+]CC1CC1)NC[C@@H]1CCCC[NH2+]1 ZINC000669509525 488110190 /nfs/dbraw/zinc/11/01/90/488110190.db2.gz ZQNZJBFSMMAPRB-NSHDSACASA-N 2 0 225.336 0.244 20 0 BCADRP C[C@@]1(C(=O)NC[C@@H]2CCCC[NH2+]2)CCC[NH2+]1 ZINC000669509814 488110872 /nfs/dbraw/zinc/11/08/72/488110872.db2.gz YGAWFKABYXPZOL-JQWIXIFHSA-N 2 0 225.336 0.387 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000669510376 488112286 /nfs/dbraw/zinc/11/22/86/488112286.db2.gz UAYLAHRWBKQHQK-WDEREUQCSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000669510375 488112362 /nfs/dbraw/zinc/11/23/62/488112362.db2.gz UAYLAHRWBKQHQK-QWRGUYRKSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[NH2+]C2CC2)[C@H]1C[NH3+] ZINC000669511336 488114174 /nfs/dbraw/zinc/11/41/74/488114174.db2.gz KNUMQJSLCQIBGY-KOLCDFICSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)CC1([NH3+])CCC1 ZINC000669511017 488114387 /nfs/dbraw/zinc/11/43/87/488114387.db2.gz HGDUBAXYTSBYKJ-JTQLQIEISA-N 2 0 227.352 0.748 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[NH2+]C2CC2)[C@@H]1C[NH3+] ZINC000669511337 488114415 /nfs/dbraw/zinc/11/44/15/488114415.db2.gz KNUMQJSLCQIBGY-MWLCHTKSSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1CCCN(C(=O)C[NH2+]C2CC2)[C@@H]1C[NH3+] ZINC000669511335 488114436 /nfs/dbraw/zinc/11/44/36/488114436.db2.gz KNUMQJSLCQIBGY-GXSJLCMTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000669511304 488114560 /nfs/dbraw/zinc/11/45/60/488114560.db2.gz FBNQXFCFCBHESV-KKOKHZNYSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cn(C)nn1 ZINC000389831271 488116482 /nfs/dbraw/zinc/11/64/82/488116482.db2.gz GZUVEVHVRNEULY-SECBINFHSA-N 2 0 211.313 0.422 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]CC1(C)C ZINC000669512434 488118564 /nfs/dbraw/zinc/11/85/64/488118564.db2.gz VBEORDCFWDLSNJ-ZJUUUORDSA-N 2 0 225.336 0.195 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000669512407 488118746 /nfs/dbraw/zinc/11/87/46/488118746.db2.gz PPPOOHYVQVCTFT-SNVBAGLBSA-N 2 0 225.336 0.339 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]CC1(C)C ZINC000669512455 488118774 /nfs/dbraw/zinc/11/87/74/488118774.db2.gz XWFYYBCSGNQKPA-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000669512389 488118782 /nfs/dbraw/zinc/11/87/82/488118782.db2.gz NFJDRGPEXXHLMN-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000669513312 488120481 /nfs/dbraw/zinc/12/04/81/488120481.db2.gz YNBWVSPRYXBFAZ-DCAQKATOSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C1([NH+](C)C)CC1 ZINC000668693135 488122766 /nfs/dbraw/zinc/12/27/66/488122766.db2.gz NQKMNTTYUBRPJJ-SNVBAGLBSA-N 2 0 227.352 0.537 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC[NH2+]1 ZINC000669514697 488124259 /nfs/dbraw/zinc/12/42/59/488124259.db2.gz ADNCHCLYEQZWFQ-GMTAPVOTSA-N 2 0 227.352 0.426 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC[NH2+]1 ZINC000669514855 488124337 /nfs/dbraw/zinc/12/43/37/488124337.db2.gz NAMRSMHJIPFGED-GHMZBOCLSA-N 2 0 241.379 0.816 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000669514879 488124521 /nfs/dbraw/zinc/12/45/21/488124521.db2.gz OPOHGLUQIIXETB-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H](C(=O)NC[C@H](C)[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000669517033 488127367 /nfs/dbraw/zinc/12/73/67/488127367.db2.gz SHWFKCPBHYDZIM-UMNHJUIQSA-N 2 0 235.331 0.786 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000669517065 488127593 /nfs/dbraw/zinc/12/75/93/488127593.db2.gz ZCIOUWIGJJLXMI-GMSGAONNSA-N 2 0 241.722 0.803 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)CC1([NH3+])CCC1 ZINC000669518599 488130401 /nfs/dbraw/zinc/13/04/01/488130401.db2.gz LQEHLSGPUWAVDR-LLVKDONJSA-N 2 0 239.363 0.988 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CC1([NH3+])CCC1 ZINC000669518586 488130447 /nfs/dbraw/zinc/13/04/47/488130447.db2.gz FFLYZZAQYZAGHM-FOGDFJRCSA-N 2 0 239.363 0.761 20 0 BCADRP C1CC1[NH+]1CCC(N[C@@H]2CC[NH2+]C2)CC1 ZINC000086727860 487537730 /nfs/dbraw/zinc/53/77/30/487537730.db2.gz XFYRIPLWKXWZKM-LLVKDONJSA-N 2 0 209.337 0.565 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](C)[NH+](C)C ZINC000162103249 487538245 /nfs/dbraw/zinc/53/82/45/487538245.db2.gz UUBAOWQWFJKSMR-QWRGUYRKSA-N 2 0 229.368 0.768 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000382413146 487541374 /nfs/dbraw/zinc/54/13/74/487541374.db2.gz VEANNFNXPAMJIR-KXUCPTDWSA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C(=O)NCC[NH2+]C2CC2)C1 ZINC000237974671 487542632 /nfs/dbraw/zinc/54/26/32/487542632.db2.gz HYFFCCDBBNJIQY-VHSXEESVSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000382426227 487543125 /nfs/dbraw/zinc/54/31/25/487543125.db2.gz YHMOEODJERBARX-LPEHRKFASA-N 2 0 213.325 0.215 20 0 BCADRP CC(C)(C[NH3+])NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000382427338 487543245 /nfs/dbraw/zinc/54/32/45/487543245.db2.gz YSXNITFGFNWFLL-DTWKUNHWSA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)c1ccc(C[NH3+])o1 ZINC000094571454 487544390 /nfs/dbraw/zinc/54/43/90/487544390.db2.gz NFHCQSIVHHEWIH-UHFFFAOYSA-N 2 0 239.319 0.808 20 0 BCADRP C[C@@H](C(=O)N1CCC[N@H+](C)CC1)[NH+](C)C ZINC000674283964 487544988 /nfs/dbraw/zinc/54/49/88/487544988.db2.gz JOPFOSMVZPMGFN-JTQLQIEISA-N 2 0 213.325 0.101 20 0 BCADRP C[C@@H]1CCC[N@H+](CCC[NH3+])[C@@H]1CCO ZINC000662302275 487546395 /nfs/dbraw/zinc/54/63/95/487546395.db2.gz LRNALSWOWCSAHE-GHMZBOCLSA-N 2 0 200.326 0.818 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH+](C)C)C1 ZINC000674286835 487546802 /nfs/dbraw/zinc/54/68/02/487546802.db2.gz BXJZBGSUGMSTEE-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H](C(=O)N(C)CCCC[NH+](C)C)[NH+](C)C ZINC000674288415 487549442 /nfs/dbraw/zinc/54/94/42/487549442.db2.gz FCTVAXULNAPSQV-NSHDSACASA-N 2 0 229.368 0.737 20 0 BCADRP C[C@@H](NC(=O)[C@H](C)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000674289777 487550266 /nfs/dbraw/zinc/55/02/66/487550266.db2.gz RGKXRQNHMHLKJU-MNOVXSKESA-N 2 0 241.379 0.783 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000261751910 487551027 /nfs/dbraw/zinc/55/10/27/487551027.db2.gz IZUXOWHSMBEREW-WHOHXGKFSA-N 2 0 239.363 0.890 20 0 BCADRP C[C@@H](C(=O)NCCCC[NH+](C)C)[NH+](C)C ZINC000674289897 487551645 /nfs/dbraw/zinc/55/16/45/487551645.db2.gz UAURQXIVFVRVRD-JTQLQIEISA-N 2 0 215.341 0.395 20 0 BCADRP CC(C)(CO)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000168616718 487530218 /nfs/dbraw/zinc/53/02/18/487530218.db2.gz ABCMHKZEAUTIQT-NXEZZACHSA-N 2 0 200.326 0.864 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227153307 487555733 /nfs/dbraw/zinc/55/57/33/487555733.db2.gz VTGTYPJGAXWSJR-AXFHLTTASA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H](C(=O)NCC[NH+]1CCCCC1)[NH+](C)C ZINC000674245259 487533726 /nfs/dbraw/zinc/53/37/26/487533726.db2.gz JFMABKJFIFCLCR-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NC[C@@H]2CCCC[NH2+]2)o1 ZINC000237915689 487533665 /nfs/dbraw/zinc/53/36/65/487533665.db2.gz KKRWAIDRRIEUGR-VIFPVBQESA-N 2 0 237.303 0.610 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)C[NH2+]C(C)C)C1 ZINC000037484151 487471566 /nfs/dbraw/zinc/47/15/66/487471566.db2.gz LYRUBGLOQOPVSR-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP O=C(C[C@@H]1CC[NH2+]C1)NCCC1CC[NH2+]CC1 ZINC000653272384 487471880 /nfs/dbraw/zinc/47/18/80/487471880.db2.gz LBZQWBRGTSZJGQ-LBPRGKRZSA-N 2 0 239.363 0.492 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)NCCC1CC[NH2+]CC1 ZINC000653272390 487472070 /nfs/dbraw/zinc/47/20/70/487472070.db2.gz LIUJRDZUHJXFAE-VIFPVBQESA-N 2 0 249.305 0.475 20 0 BCADRP C[C@H](CNC(=O)c1ccccc1CC[NH3+])[NH+](C)C ZINC000070541956 487482132 /nfs/dbraw/zinc/48/21/32/487482132.db2.gz JRXLPPJDELJTSR-LLVKDONJSA-N 2 0 249.358 0.868 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000086067804 487477069 /nfs/dbraw/zinc/47/70/69/487477069.db2.gz ZGNWYABTMPDFPL-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP Cc1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc[nH+]1 ZINC000405460043 487484036 /nfs/dbraw/zinc/48/40/36/487484036.db2.gz IPTWMXHLDSDIBN-QWHCGFSZSA-N 2 0 233.315 0.645 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC1CCC([NH3+])CC1 ZINC000086068660 487479194 /nfs/dbraw/zinc/47/91/94/487479194.db2.gz BGLFOJLJHQDBOH-XNWIYYODSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](C(=O)N(C)CCC[NH+]1CCCC1)[NH+](C)C ZINC000684986908 487484647 /nfs/dbraw/zinc/48/46/47/487484647.db2.gz IUKFXCBNJSPPGM-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])[NH+](C)C ZINC000237573982 487486566 /nfs/dbraw/zinc/48/65/66/487486566.db2.gz FFFJRWMUBVUHDJ-DCAQKATOSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C)[NH+](C)C ZINC000237607333 487490831 /nfs/dbraw/zinc/49/08/31/487490831.db2.gz PLMTZOVRKSIWAS-LPEHRKFASA-N 2 0 213.325 0.275 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000516968823 487492119 /nfs/dbraw/zinc/49/21/19/487492119.db2.gz QDOWRFDRSASJCJ-UWVGGRQHSA-N 2 0 244.383 0.739 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])[NH+](C)C ZINC000237611849 487493243 /nfs/dbraw/zinc/49/32/43/487493243.db2.gz CSEPHAPVRWZUGK-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](C(=O)N[C@@H](C[NH3+])C1CCCCC1)[NH+](C)C ZINC000237611639 487493315 /nfs/dbraw/zinc/49/33/15/487493315.db2.gz SQYKBZUHPWWUGB-JQWIXIFHSA-N 2 0 241.379 0.960 20 0 BCADRP Cn1cc(CNCc2cccc3nccn32)nn1 ZINC000679931742 487494790 /nfs/dbraw/zinc/49/47/90/487494790.db2.gz AVFKWMMWZLBMRS-UHFFFAOYSA-N 2 0 242.286 0.753 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCC[NH3+] ZINC000381221442 487502427 /nfs/dbraw/zinc/50/24/27/487502427.db2.gz ITUCSPUOCQUUKM-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1)OC ZINC000662266623 487503992 /nfs/dbraw/zinc/50/39/92/487503992.db2.gz NREQEQKXPSXYIA-AXFHLTTASA-N 2 0 216.325 0.317 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C)CC[NH2+]C ZINC000449373045 487504480 /nfs/dbraw/zinc/50/44/80/487504480.db2.gz BCMSAKXMBNQWIL-VIFPVBQESA-N 2 0 201.314 0.052 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000381361391 487504982 /nfs/dbraw/zinc/50/49/82/487504982.db2.gz FBJBAKHHXZUXHO-NXEZZACHSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CC(C)(C)[NH3+] ZINC000381566949 487512758 /nfs/dbraw/zinc/51/27/58/487512758.db2.gz TWUDGWMBTVGHIT-LLVKDONJSA-N 2 0 215.341 0.603 20 0 BCADRP C[NH2+]CCC[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000300400303 487513159 /nfs/dbraw/zinc/51/31/59/487513159.db2.gz WAFCIAGJDXZSOC-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP COC[C@H](C[NH2+]CC1([NH3+])CCC1)OC ZINC000300363476 487510270 /nfs/dbraw/zinc/51/02/70/487510270.db2.gz DOJVAVORLZLMBJ-VIFPVBQESA-N 2 0 202.298 0.119 20 0 BCADRP [NH3+]CCCC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237918048 487534176 /nfs/dbraw/zinc/53/41/76/487534176.db2.gz ZMKHLLUFHNNIGR-JTQLQIEISA-N 2 0 213.325 0.231 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000186781176 487674567 /nfs/dbraw/zinc/67/45/67/487674567.db2.gz YFIQDZNLTOCVQN-ZRUFSTJUSA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250240991 487728472 /nfs/dbraw/zinc/72/84/72/487728472.db2.gz LFCLZMVLVCROBQ-GARJFASQSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000653042836 487943933 /nfs/dbraw/zinc/94/39/33/487943933.db2.gz HUSSUYISLMYPLE-IJLUTSLNSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[NH+](C)C ZINC000158309947 487952550 /nfs/dbraw/zinc/95/25/50/487952550.db2.gz LPDDAWAWYBDYKY-CMPLNLGQSA-N 2 0 225.336 0.149 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C1([NH+](C)C)CC1 ZINC000668701716 488136521 /nfs/dbraw/zinc/13/65/21/488136521.db2.gz VCZSEXGURAPKBE-UHFFFAOYSA-N 2 0 227.352 0.537 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000669520878 488149652 /nfs/dbraw/zinc/14/96/52/488149652.db2.gz LBNINVAHLLXYMM-SNVBAGLBSA-N 2 0 227.352 0.631 20 0 BCADRP C[NH+]1CCC(C(=O)N2CC[NH2+]CC2(C)C)CC1 ZINC000259183565 488153192 /nfs/dbraw/zinc/15/31/92/488153192.db2.gz OXKGBEQGAYGZIF-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CC(C)(C)[NH3+] ZINC000237414720 488155297 /nfs/dbraw/zinc/15/52/97/488155297.db2.gz QBZAZHYZNHWFHE-UWVGGRQHSA-N 2 0 227.352 0.842 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1ccnn1C ZINC000230775484 488156844 /nfs/dbraw/zinc/15/68/44/488156844.db2.gz SDCQFIXMFUBVLV-GHMZBOCLSA-N 2 0 222.336 0.774 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1ccnn1C ZINC000230775486 488156934 /nfs/dbraw/zinc/15/69/34/488156934.db2.gz SDCQFIXMFUBVLV-WDEREUQCSA-N 2 0 222.336 0.774 20 0 BCADRP CC(C)(CO)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000168616809 488159229 /nfs/dbraw/zinc/15/92/29/488159229.db2.gz ABCMHKZEAUTIQT-ZJUUUORDSA-N 2 0 200.326 0.864 20 0 BCADRP CC[C@@H](C)[N@H+](CCO)C[C@H](O)C[NH+](C)C(C)C ZINC000380016248 488168279 /nfs/dbraw/zinc/16/82/79/488168279.db2.gz LVECXPSMTVOWPE-CHWSQXEVSA-N 2 0 246.395 0.780 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](C)CC2(C)C)C1 ZINC000678040948 488176898 /nfs/dbraw/zinc/17/68/98/488176898.db2.gz VXBJBADNSPFIPJ-NSHDSACASA-N 2 0 239.363 0.491 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322380577 488182804 /nfs/dbraw/zinc/18/28/04/488182804.db2.gz MZLFWYLLTXOONB-JQYRIEHKSA-N 2 0 239.363 0.711 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000161899341 488189849 /nfs/dbraw/zinc/18/98/49/488189849.db2.gz WANVFSWDFOGQFM-WOPDTQHZSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H](C(=O)NCC1([NH+](C)C)CC1)[NH+](C)C ZINC000668050798 488195847 /nfs/dbraw/zinc/19/58/47/488195847.db2.gz VNXWJFGSIWKEHY-VIFPVBQESA-N 2 0 213.325 0.147 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322830117 488197190 /nfs/dbraw/zinc/19/71/90/488197190.db2.gz GEGJXZVHXZLNKE-UBJLHIIHSA-N 2 0 225.336 0.323 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H](C)[NH2+]C)CC[C@@H]1[NH3+] ZINC000655457423 488198428 /nfs/dbraw/zinc/19/84/28/488198428.db2.gz AIBXZHDFDIFGKO-AEJSXWLSSA-N 2 0 213.325 0.180 20 0 BCADRP Cc1n[nH]cc1[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000683691610 488207881 /nfs/dbraw/zinc/20/78/81/488207881.db2.gz FSKMZWAPCSUGLD-JTQLQIEISA-N 2 0 240.351 0.947 20 0 BCADRP C[NH+]1CCC(CCNC(=O)CC2([NH3+])CC2)CC1 ZINC000398142200 488212066 /nfs/dbraw/zinc/21/20/66/488212066.db2.gz OXNCBFBNNRXMMI-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH+](C)CCCCNC(=O)CC1([NH3+])CC1 ZINC000398161997 488213547 /nfs/dbraw/zinc/21/35/47/488213547.db2.gz QUORCFRPYGTHAJ-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[N@H+](C)C(C)C ZINC000054133613 488213857 /nfs/dbraw/zinc/21/38/57/488213857.db2.gz KBLUYUZISYZUEP-VIFPVBQESA-N 2 0 201.314 0.051 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC[N@H+](C)C(C)C ZINC000054133652 488214166 /nfs/dbraw/zinc/21/41/66/488214166.db2.gz VQMSYBKJQGOHTF-UHFFFAOYSA-N 2 0 215.341 0.441 20 0 BCADRP c1cc2n(n1)C[C@H](C[NH+]1C[C@H]3C[NH2+]C[C@@H]3C1)CN2 ZINC000684202697 488276161 /nfs/dbraw/zinc/27/61/61/488276161.db2.gz XUKIOGYQOKAFRY-QJPTWQEYSA-N 2 0 247.346 0.076 20 0 BCADRP CCN(CCO)CC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000684395034 488305147 /nfs/dbraw/zinc/30/51/47/488305147.db2.gz QKPGWAULEZASEG-QWHCGFSZSA-N 2 0 244.379 0.848 20 0 BCADRP CN(CCCC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000673840946 488309437 /nfs/dbraw/zinc/30/94/37/488309437.db2.gz OAXZMEFEUFYMHE-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP C[C@H](CCCCO)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000679339939 488341845 /nfs/dbraw/zinc/34/18/45/488341845.db2.gz GLLWSWVNPITPKB-GFCCVEGCSA-N 2 0 244.379 0.584 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000662396592 490064953 /nfs/dbraw/zinc/06/49/53/490064953.db2.gz YNYRPIFXJSCSBA-NSHDSACASA-N 2 0 239.363 0.490 20 0 BCADRP CC(=O)NCCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000121465287 490093847 /nfs/dbraw/zinc/09/38/47/490093847.db2.gz CSCGRCJNPITAGY-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NCC2([NH3+])CCCC2)o1 ZINC000662649413 490116444 /nfs/dbraw/zinc/11/64/44/490116444.db2.gz OWCGLVMZZHFBIU-UHFFFAOYSA-N 2 0 237.303 0.740 20 0 BCADRP C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)C1CC[NH+](C)CC1 ZINC000079929113 490128832 /nfs/dbraw/zinc/12/88/32/490128832.db2.gz ABSHQSHDAWBVMK-JQWIXIFHSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)([NH3+])CC(=O)NCC[NH+]1CCCC1 ZINC000082771809 490133216 /nfs/dbraw/zinc/13/32/16/490133216.db2.gz PSPFXQDFYWUPOZ-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP [NH3+]C1CCC([NH2+]C[C@H]2CCCCN2)CC1 ZINC000236203367 490192889 /nfs/dbraw/zinc/19/28/89/490192889.db2.gz WAEQMJVOAXDCFZ-HTAVTVPLSA-N 2 0 211.353 0.988 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000078755345 490229047 /nfs/dbraw/zinc/22/90/47/490229047.db2.gz DOKMKFMCWCXHLV-NWDGAFQWSA-N 2 0 241.379 0.879 20 0 BCADRP C([C@@H]1C[NH2+]CCO1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000070941766 490251069 /nfs/dbraw/zinc/25/10/69/490251069.db2.gz FNKCZKJFFWPQGX-STQMWFEESA-N 2 0 239.363 0.145 20 0 BCADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@](C)(O)C[NH+](C)C)C1 ZINC000300525715 490564044 /nfs/dbraw/zinc/56/40/44/490564044.db2.gz ZCQPNAZLEGPZAZ-UPJWGTAASA-N 2 0 244.379 0.846 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309458106 491055209 /nfs/dbraw/zinc/05/52/09/491055209.db2.gz NBTINQHPAKAHMJ-FRRDWIJNSA-N 2 0 223.364 0.622 20 0 BCADRP C[NH2+]CCOCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000629531245 491078277 /nfs/dbraw/zinc/07/82/77/491078277.db2.gz FQDIUCCZCQCSOY-ZIAGYGMSSA-N 2 0 249.358 0.957 20 0 BCADRP C[NH2+]CCOCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000629531244 491078306 /nfs/dbraw/zinc/07/83/06/491078306.db2.gz FQDIUCCZCQCSOY-UONOGXRCSA-N 2 0 249.358 0.957 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000309795186 491076990 /nfs/dbraw/zinc/07/69/90/491076990.db2.gz PZVZWYSTJVSWEE-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000659305190 491078053 /nfs/dbraw/zinc/07/80/53/491078053.db2.gz FMTZSGZVUDLZLT-VHSXEESVSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H](C)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685619 491090511 /nfs/dbraw/zinc/09/05/11/491090511.db2.gz GYRRXHSKWVPMAA-LBPRGKRZSA-N 2 0 241.379 0.738 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000366493846 491105054 /nfs/dbraw/zinc/10/50/54/491105054.db2.gz BDPVJKYQXLQYDU-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000340170001 491112033 /nfs/dbraw/zinc/11/20/33/491112033.db2.gz XIIGZPKTXXWPPT-OUAUKWLOSA-N 2 0 227.352 0.700 20 0 BCADRP [NH3+]CCC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663001179 491121613 /nfs/dbraw/zinc/12/16/13/491121613.db2.gz QHNHKPWKEVQSRQ-GFCCVEGCSA-N 2 0 239.363 0.573 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559737 491128788 /nfs/dbraw/zinc/12/87/88/491128788.db2.gz DAGZUZYRQNQLFB-IUCAKERBSA-N 2 0 201.314 0.180 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559738 491128801 /nfs/dbraw/zinc/12/88/01/491128801.db2.gz DAGZUZYRQNQLFB-DTWKUNHWSA-N 2 0 201.314 0.180 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559743 491128827 /nfs/dbraw/zinc/12/88/27/491128827.db2.gz ZHNUNLVBNOJWMU-ZJUUUORDSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)CCC[NH3+] ZINC000049559658 491128833 /nfs/dbraw/zinc/12/88/33/491128833.db2.gz ASFIIHBWNVFFQW-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP COC(C)(C)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000230413861 491129999 /nfs/dbraw/zinc/12/99/99/491129999.db2.gz GWRLKMFSOJKJHF-QWRGUYRKSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCC(=O)N(C)C)CC[N@@H+]1C ZINC000132209073 491134723 /nfs/dbraw/zinc/13/47/23/491134723.db2.gz MYAGVJIDDSEIBY-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H](C(=O)N1CC[NH2+]C(C)(C)C1)[NH+](C)C ZINC000308908150 491140081 /nfs/dbraw/zinc/14/00/81/491140081.db2.gz DAOMFIKMYAEDSY-VIFPVBQESA-N 2 0 213.325 0.147 20 0 BCADRP C[C@@H](CO)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000083218498 491160625 /nfs/dbraw/zinc/16/06/25/491160625.db2.gz BCBCPKICNSPIIH-MNOVXSKESA-N 2 0 214.353 0.935 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC000262360172 535511089 /nfs/dbraw/zinc/51/10/89/535511089.db2.gz KEEAPKQOSSLQSA-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP COC(=O)N1CC([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000496893461 533934387 /nfs/dbraw/zinc/93/43/87/533934387.db2.gz NJRPVGLYZFCSKL-ONGXEEELSA-N 2 0 241.335 0.415 20 0 BCADRP COC(=O)N1CC([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000496500063 533935459 /nfs/dbraw/zinc/93/54/59/533935459.db2.gz VGGZSNCWVIJPNF-WPRPVWTQSA-N 2 0 227.308 0.154 20 0 BCADRP C[NH2+]CCNC(=O)NC1(C[NH3+])CCCCC1 ZINC000891993177 582755437 /nfs/dbraw/zinc/75/54/37/582755437.db2.gz PLQHADUVXWYYHL-UHFFFAOYSA-N 2 0 228.340 0.167 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891988284 582754491 /nfs/dbraw/zinc/75/44/91/582754491.db2.gz OBYNVYAFSYZGHB-XYPYZODXSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000891998411 582757896 /nfs/dbraw/zinc/75/78/96/582757896.db2.gz FEWKNQJTIGTFIT-VWYCJHECSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H](CNc1cc[nH+]cc1CO)[NH+](C)C ZINC000892027754 582765060 /nfs/dbraw/zinc/76/50/60/582765060.db2.gz IZAZAWFSPGEXHK-VIFPVBQESA-N 2 0 209.293 0.358 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000892037147 582769570 /nfs/dbraw/zinc/76/95/70/582769570.db2.gz VBOXODUAOCYJJT-ZJUUUORDSA-N 2 0 242.367 0.635 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C(=O)N[C@@H](C)CC[NH3+] ZINC000892052600 582776016 /nfs/dbraw/zinc/77/60/16/582776016.db2.gz CQGAWQPQLBZWRK-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892090143 582789023 /nfs/dbraw/zinc/78/90/23/582789023.db2.gz DPNJCGCJFAPJHH-MXWKQRLJSA-N 2 0 240.351 0.117 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000892146183 582800577 /nfs/dbraw/zinc/80/05/77/582800577.db2.gz NQBCLHTUZHGLKH-MNOVXSKESA-N 2 0 242.367 0.637 20 0 BCADRP C[C@@H](NC(=O)N1CCCC[C@@H]1C[NH3+])[C@H](C)[NH3+] ZINC000892144136 582800598 /nfs/dbraw/zinc/80/05/98/582800598.db2.gz HXIMZERWRDGTIR-IVZWLZJFSA-N 2 0 228.340 0.245 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000892146184 582800743 /nfs/dbraw/zinc/80/07/43/582800743.db2.gz NQBCLHTUZHGLKH-QWRGUYRKSA-N 2 0 242.367 0.637 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000892175616 582805406 /nfs/dbraw/zinc/80/54/06/582805406.db2.gz MLUSRVASMYHOJJ-GMTAPVOTSA-N 2 0 240.351 0.247 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)C[NH2+]1 ZINC000892289083 582828748 /nfs/dbraw/zinc/82/87/48/582828748.db2.gz BAGRIEJUUIIBCC-DBIOUOCHSA-N 2 0 240.351 0.163 20 0 BCADRP CN1CC[C@@H]([N@@H+]2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000227071886 536451849 /nfs/dbraw/zinc/45/18/49/536451849.db2.gz SBCSBPHSZMJWIF-WDEREUQCSA-N 2 0 225.336 0.278 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(CC(C)(C)[NH3+])[C@@H]2C1 ZINC000261585450 536463616 /nfs/dbraw/zinc/46/36/16/536463616.db2.gz QJHVIEUNCJXKAU-GHMZBOCLSA-N 2 0 211.353 0.750 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000494900325 527817248 /nfs/dbraw/zinc/81/72/48/527817248.db2.gz JBDXAQLFIDTMLL-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000494900323 527818921 /nfs/dbraw/zinc/81/89/21/527818921.db2.gz JBDXAQLFIDTMLL-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494643456 528398295 /nfs/dbraw/zinc/39/82/95/528398295.db2.gz QVKCOSFXWXFPMX-MNOVXSKESA-N 2 0 227.352 0.633 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494643455 528398671 /nfs/dbraw/zinc/39/86/71/528398671.db2.gz QVKCOSFXWXFPMX-GHMZBOCLSA-N 2 0 227.352 0.633 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H](C)[C@H](C)[NH3+])C(C)C ZINC000493888492 528500506 /nfs/dbraw/zinc/50/05/06/528500506.db2.gz NKFORGRJAUHWLJ-MNOVXSKESA-N 2 0 229.368 0.816 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494576561 528515153 /nfs/dbraw/zinc/51/51/53/528515153.db2.gz XIGKDVVAJUZXIB-QWRGUYRKSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000495169892 528552457 /nfs/dbraw/zinc/55/24/57/528552457.db2.gz VDQUTBGITCOURL-MNOVXSKESA-N 2 0 229.368 0.994 20 0 BCADRP CON(C)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000850479841 582920188 /nfs/dbraw/zinc/92/01/88/582920188.db2.gz DGDGCNFOKSFBAU-MNOVXSKESA-N 2 0 215.341 0.552 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335335593 535048058 /nfs/dbraw/zinc/04/80/58/535048058.db2.gz ZNLUDLQURXUBOH-WCQYABFASA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342714052 535049620 /nfs/dbraw/zinc/04/96/20/535049620.db2.gz OOJADTDXJXTTOW-YFKTTZPYSA-N 2 0 239.363 0.556 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000184958231 535049549 /nfs/dbraw/zinc/04/95/49/535049549.db2.gz BGPKDDGURFSVQU-ZDCRXTMVSA-N 2 0 225.336 0.165 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000345787543 535075524 /nfs/dbraw/zinc/07/55/24/535075524.db2.gz ISASQLQYULDVFB-NQBHXWOUSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000348663719 535137876 /nfs/dbraw/zinc/13/78/76/535137876.db2.gz FAKNVARMLSMYIX-MNOVXSKESA-N 2 0 229.368 0.639 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000347659042 535148553 /nfs/dbraw/zinc/14/85/53/535148553.db2.gz RGTDEHPZSSCMAR-JTQLQIEISA-N 2 0 227.352 0.570 20 0 BCADRP CCC[NH2+]CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000154119293 535160406 /nfs/dbraw/zinc/16/04/06/535160406.db2.gz JXNDTTRYLOVATQ-SNVBAGLBSA-N 2 0 213.325 0.244 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000084419991 535204363 /nfs/dbraw/zinc/20/43/63/535204363.db2.gz BWGSVXNXQYHDKX-GHMZBOCLSA-N 2 0 227.352 0.522 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000336091938 535204579 /nfs/dbraw/zinc/20/45/79/535204579.db2.gz RKRCBMRXAWPVBS-MWLCHTKSSA-N 2 0 227.352 0.556 20 0 BCADRP CCCN(C(=O)C[C@@H](C)[NH3+])[C@@H]1CC[NH2+]C1 ZINC000261584534 535207334 /nfs/dbraw/zinc/20/73/34/535207334.db2.gz PXJWXQABRPKRRL-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP CCCN(C(=O)C[C@H](C)[NH3+])[C@H]1CC[NH2+]C1 ZINC000261584535 535208705 /nfs/dbraw/zinc/20/87/05/535208705.db2.gz PXJWXQABRPKRRL-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[NH+]2CCC1CC2 ZINC000356999285 535246732 /nfs/dbraw/zinc/24/67/32/535246732.db2.gz PLHMAPONWLATQP-UHFFFAOYSA-N 2 0 239.363 0.635 20 0 BCADRP CC(C)([NH2+]CCOCC[NH3+])c1nccs1 ZINC000232558408 535248877 /nfs/dbraw/zinc/24/88/77/535248877.db2.gz ZDGSNBNCVRZAGW-UHFFFAOYSA-N 2 0 229.349 0.943 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000262487443 535331242 /nfs/dbraw/zinc/33/12/42/535331242.db2.gz VGWOXUGAFHBNNT-HOSYDEDBSA-N 2 0 229.368 0.849 20 0 BCADRP CC[C@@H](C(=O)N(C)CC[NH2+]C)[NH+](CC)CC ZINC000352092738 535398196 /nfs/dbraw/zinc/39/81/96/535398196.db2.gz WUMGXBIFHQBODF-NSHDSACASA-N 2 0 229.368 0.785 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263192705 535474783 /nfs/dbraw/zinc/47/47/83/535474783.db2.gz IDDXLYVEPFMKNR-PWSUYJOCSA-N 2 0 227.352 0.620 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000089747550 535573771 /nfs/dbraw/zinc/57/37/71/535573771.db2.gz RVQCKARYYJPWBL-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C[C@@H](C[NH3+])OC ZINC000232119483 535587196 /nfs/dbraw/zinc/58/71/96/535587196.db2.gz HBCZBEMPDWPYLT-QWRGUYRKSA-N 2 0 245.367 0.197 20 0 BCADRP CCOCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261560926 535608265 /nfs/dbraw/zinc/60/82/65/535608265.db2.gz AJDRWYZURMNCFZ-GFCCVEGCSA-N 2 0 227.352 0.002 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335627375 535758867 /nfs/dbraw/zinc/75/88/67/535758867.db2.gz QJMIAWIIURFRMZ-LBPRGKRZSA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@@H](COC)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000070658493 535761310 /nfs/dbraw/zinc/76/13/10/535761310.db2.gz HOSWVCBTMXTGBU-NWDGAFQWSA-N 2 0 230.352 0.458 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085012515 535830394 /nfs/dbraw/zinc/83/03/94/535830394.db2.gz WQKVXIOYNRJNCJ-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159587464 535837023 /nfs/dbraw/zinc/83/70/23/535837023.db2.gz JEVGQKYUNYBFTP-GFCCVEGCSA-N 2 0 227.352 0.587 20 0 BCADRP CC[C@]1(C(=O)N(C)CC(C)(C)C[NH3+])CCC[NH2+]1 ZINC000262468857 535877897 /nfs/dbraw/zinc/87/78/97/535877897.db2.gz YRJWGCZWXWDTSC-CYBMUJFWSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CCC[NH2+]1 ZINC000262991273 535882394 /nfs/dbraw/zinc/88/23/94/535882394.db2.gz ZXJISDRWTKDEIA-NTZNESFSSA-N 2 0 239.363 0.775 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000336041363 535943172 /nfs/dbraw/zinc/94/31/72/535943172.db2.gz KVUNHELKXSTBSP-NWDGAFQWSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237019235 535951877 /nfs/dbraw/zinc/95/18/77/535951877.db2.gz LVWWEKPFXDFGLK-GDGRRUBZSA-N 2 0 239.363 0.759 20 0 BCADRP CN(C(=O)N[C@H]1CCC[C@H]([NH3+])C1)C1CC([NH3+])C1 ZINC000334954706 536053350 /nfs/dbraw/zinc/05/33/50/536053350.db2.gz DLMFKDGGVTTZIH-XEAZBWPWSA-N 2 0 240.351 0.387 20 0 BCADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](C)C1 ZINC000335675451 536063682 /nfs/dbraw/zinc/06/36/82/536063682.db2.gz ANRYJVWTNNMPOG-VXGBXAGGSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000080998473 536110332 /nfs/dbraw/zinc/11/03/32/536110332.db2.gz SEKPJRMMUDZBMF-LLVKDONJSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000165602514 536134654 /nfs/dbraw/zinc/13/46/54/536134654.db2.gz WXHYUKAJSTZIJI-VXGBXAGGSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000261546026 536138944 /nfs/dbraw/zinc/13/89/44/536138944.db2.gz KOROXIAVZOAAGT-UTLUCORTSA-N 2 0 213.325 0.452 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000178405600 536359452 /nfs/dbraw/zinc/35/94/52/536359452.db2.gz VDZNVUGQAMDMGO-CHWSQXEVSA-N 2 0 247.342 0.897 20 0 BCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000335972451 536369671 /nfs/dbraw/zinc/36/96/71/536369671.db2.gz VZDWPMXZDWSPMO-GFCCVEGCSA-N 2 0 237.347 0.387 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000263097299 536373552 /nfs/dbraw/zinc/37/35/52/536373552.db2.gz ZCBGCLPHVSNMJL-NQBHXWOUSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+][C@@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000261551329 536375707 /nfs/dbraw/zinc/37/57/07/536375707.db2.gz QJAHIZLITJHDJY-GFCCVEGCSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000334932975 536456539 /nfs/dbraw/zinc/45/65/39/536456539.db2.gz DJIATLXHNGCHHA-MNOVXSKESA-N 2 0 240.351 0.132 20 0 BCADRP COCCOCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000217806480 536515069 /nfs/dbraw/zinc/51/50/69/536515069.db2.gz DPXLNJSONYAWPQ-YNEHKIRRSA-N 2 0 244.379 0.968 20 0 BCADRP COC[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000261823223 536583485 /nfs/dbraw/zinc/58/34/85/536583485.db2.gz IOUGWVZZMCVUFG-DGCLKSJQSA-N 2 0 242.363 0.722 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000892850132 582996023 /nfs/dbraw/zinc/99/60/23/582996023.db2.gz KSSOMBDJXFMSJO-VIFPVBQESA-N 2 0 228.340 0.104 20 0 BCADRP CCC1([NH3+])CCN(C(=O)N(C)CCC[NH3+])CC1 ZINC000892933087 583011742 /nfs/dbraw/zinc/01/17/42/583011742.db2.gz DGQHMDPPOSEBRG-UHFFFAOYSA-N 2 0 242.367 0.590 20 0 BCADRP C[NH2+]CCN(C)Cc1nc2c(s1)C[NH2+]CC2 ZINC000853245647 588728494 /nfs/dbraw/zinc/72/84/94/588728494.db2.gz AQBBMLTWAPMNLX-UHFFFAOYSA-N 2 0 240.376 0.440 20 0 BCADRP COC(=O)N(C)CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000854225877 588780586 /nfs/dbraw/zinc/78/05/86/588780586.db2.gz BBGYQUQPWIOEOD-QWRGUYRKSA-N 2 0 243.351 0.662 20 0 BCADRP C[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)C1C[NH2+]C1 ZINC000854229810 588780844 /nfs/dbraw/zinc/78/08/44/588780844.db2.gz XQKVQJQORUKGKN-IEBDPFPHSA-N 2 0 246.301 0.998 20 0 BCADRP CC(C)NC(=[NH2+])NC[C@H](C)[NH+]1CCCC1 ZINC000112800799 588817189 /nfs/dbraw/zinc/81/71/89/588817189.db2.gz KVSQNQOQAGPMDU-JTQLQIEISA-N 2 0 212.341 0.993 20 0 BCADRP CC[C@@H]1C(=O)NCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000113218436 588827458 /nfs/dbraw/zinc/82/74/58/588827458.db2.gz XKOXPDMWRJYQNW-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)C(C)(C)CNc1cc[nH+]cc1CO ZINC000891494557 582693248 /nfs/dbraw/zinc/69/32/48/582693248.db2.gz FZWHWLVBGGZFFS-UHFFFAOYSA-N 2 0 223.320 0.748 20 0 BCADRP C[N@H+](CCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000891547281 582695736 /nfs/dbraw/zinc/69/57/36/582695736.db2.gz ZPWUZGFCPVAJSE-AOOOYVTPSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC[N@H+](C)C1CC1 ZINC000891545053 582696161 /nfs/dbraw/zinc/69/61/61/582696161.db2.gz HQHNVAOXJCKVPF-ZJUUUORDSA-N 2 0 240.351 0.212 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000891978741 582751758 /nfs/dbraw/zinc/75/17/58/582751758.db2.gz FVYFQHSKKVDRFA-GARJFASQSA-N 2 0 240.351 0.023 20 0 BCADRP [NH3+]CCCNC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000891985024 582752470 /nfs/dbraw/zinc/75/24/70/582752470.db2.gz RIAUEHIRBNMSLD-SNVBAGLBSA-N 2 0 228.340 0.248 20 0 BCADRP [NH3+]CCCNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000891985352 582752629 /nfs/dbraw/zinc/75/26/29/582752629.db2.gz ABKXKMDOGHUVPA-MGCOHNPYSA-N 2 0 228.340 0.152 20 0 BCADRP C[NH2+]CCNC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000891992198 582755238 /nfs/dbraw/zinc/75/52/38/582755238.db2.gz DPGICXHNEGHMON-SNVBAGLBSA-N 2 0 228.340 0.119 20 0 BCADRP CCN(C(=O)NC[C@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000891998692 582758028 /nfs/dbraw/zinc/75/80/28/582758028.db2.gz FRWDTAFKGYCUEW-MNOVXSKESA-N 2 0 240.351 0.132 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)N[C@H]1CC[NH2+]C1 ZINC000892001093 582758355 /nfs/dbraw/zinc/75/83/55/582758355.db2.gz DSNCUFNAQHJZIJ-BMQDGWLCSA-N 2 0 238.335 0.014 20 0 BCADRP OCc1c[nH+]ccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000892000887 582758441 /nfs/dbraw/zinc/75/84/41/582758441.db2.gz WDHQZEVOGRNNMF-NSHDSACASA-N 2 0 233.315 0.644 20 0 BCADRP CCN(C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000892015875 582761604 /nfs/dbraw/zinc/76/16/04/582761604.db2.gz CTJWFJWKTVBZJQ-QWRGUYRKSA-N 2 0 240.351 0.132 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892023615 582764632 /nfs/dbraw/zinc/76/46/32/582764632.db2.gz YLQNNLCZIXVDFW-NXEZZACHSA-N 2 0 228.340 0.102 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892038779 582770257 /nfs/dbraw/zinc/77/02/57/582770257.db2.gz ZQPXLMIGDVQWKI-AXFHLTTASA-N 2 0 242.367 0.396 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000892053533 582774865 /nfs/dbraw/zinc/77/48/65/582774865.db2.gz LWLHAKBBIYORGM-SNVBAGLBSA-N 2 0 242.367 0.459 20 0 BCADRP CCN(C(=O)NC[C@@H]([NH3+])C1CC1)[C@@H]1CC[NH2+]C1 ZINC000892051104 582775502 /nfs/dbraw/zinc/77/55/02/582775502.db2.gz MWVBSECFKUCBKB-GHMZBOCLSA-N 2 0 240.351 0.117 20 0 BCADRP CCN(C(=O)NCC1([NH3+])CCC1)[C@@H]1CC[NH2+]C1 ZINC000892054372 582776966 /nfs/dbraw/zinc/77/69/66/582776966.db2.gz USCWQFSOVCWYNT-SNVBAGLBSA-N 2 0 240.351 0.261 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000892054166 582777158 /nfs/dbraw/zinc/77/71/58/582777158.db2.gz RCHOHSLUQNQJFU-ZJUUUORDSA-N 2 0 228.340 0.247 20 0 BCADRP [NH3+]C1(CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000892054400 582777320 /nfs/dbraw/zinc/77/73/20/582777320.db2.gz STNAQDRWZIIQKV-AOOOYVTPSA-N 2 0 238.335 0.014 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000892056224 582778180 /nfs/dbraw/zinc/77/81/80/582778180.db2.gz RCHOHSLUQNQJFU-VHSXEESVSA-N 2 0 228.340 0.247 20 0 BCADRP CCC1([NH3+])CCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000892062648 582780833 /nfs/dbraw/zinc/78/08/33/582780833.db2.gz DZMUVSHJWOFLBW-SECBINFHSA-N 2 0 228.340 0.247 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC1=CC[NH2+]CC1 ZINC000892066387 582783235 /nfs/dbraw/zinc/78/32/35/582783235.db2.gz HAAXBQKHSHYJCY-ONGXEEELSA-N 2 0 238.335 0.037 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCC(C)(C)[NH3+] ZINC000892079937 582786633 /nfs/dbraw/zinc/78/66/33/582786633.db2.gz PBQAHYOCWPQDNK-NXEZZACHSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000892079767 582786857 /nfs/dbraw/zinc/78/68/57/582786857.db2.gz ZWAMVMMHFQUFAL-YTWAJWBKSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892078157 582786909 /nfs/dbraw/zinc/78/69/09/582786909.db2.gz MXIITSVYEQVZPG-ZNSHCXBVSA-N 2 0 240.351 0.021 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892078052 582787065 /nfs/dbraw/zinc/78/70/65/582787065.db2.gz MXIITSVYEQVZPG-NAKRPEOUSA-N 2 0 240.351 0.021 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000892083241 582787788 /nfs/dbraw/zinc/78/77/88/582787788.db2.gz SEMKWNITUORVFE-GMTAPVOTSA-N 2 0 240.351 0.165 20 0 BCADRP [NH3+]C/C=C/CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000892124026 582795824 /nfs/dbraw/zinc/79/58/24/582795824.db2.gz OCOPPUUMOYSSDC-PBKGFPTLSA-N 2 0 226.324 0.024 20 0 BCADRP [NH3+]C/C=C\CNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892123018 582795993 /nfs/dbraw/zinc/79/59/93/582795993.db2.gz WSFWGUBJSFJXSZ-IQAMVVKDSA-N 2 0 238.335 0.085 20 0 BCADRP C[C@@H](NC(=O)N1CCCCC[C@@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000892141255 582799588 /nfs/dbraw/zinc/79/95/88/582799588.db2.gz IAQJCYQAXVSYEH-HBNTYKKESA-N 2 0 242.367 0.635 20 0 BCADRP CCN(C(=O)N[C@@H](C)CCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000892141451 582799592 /nfs/dbraw/zinc/79/95/92/582799592.db2.gz OGDXRNJOWFDDRM-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000892142554 582799726 /nfs/dbraw/zinc/79/97/26/582799726.db2.gz VJUJFUKTFXDXLG-MXWKQRLJSA-N 2 0 242.367 0.683 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000892143388 582799913 /nfs/dbraw/zinc/79/99/13/582799913.db2.gz FHTIMVHVMSOHAK-HBNTYKKESA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000892142556 582800219 /nfs/dbraw/zinc/80/02/19/582800219.db2.gz VJUJFUKTFXDXLG-OUAUKWLOSA-N 2 0 242.367 0.683 20 0 BCADRP CCC1([NH3+])CCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000892145135 582800542 /nfs/dbraw/zinc/80/05/42/582800542.db2.gz KZFWUWSIHQTXPK-NXEZZACHSA-N 2 0 242.367 0.635 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000892144137 582800634 /nfs/dbraw/zinc/80/06/34/582800634.db2.gz HXIMZERWRDGTIR-KXUCPTDWSA-N 2 0 228.340 0.245 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCCC(C)(C)[NH3+] ZINC000892146394 582801483 /nfs/dbraw/zinc/80/14/83/582801483.db2.gz KCYVUSGKPPCXFN-QMMMGPOBSA-N 2 0 216.329 0.150 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000892148251 582802199 /nfs/dbraw/zinc/80/21/99/582802199.db2.gz WLEJZWKPBZRVMW-SNVBAGLBSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892200018 582807319 /nfs/dbraw/zinc/80/73/19/582807319.db2.gz OYKMSEZYPGLWPF-KYXWUPHJSA-N 2 0 228.340 0.149 20 0 BCADRP CC[C@H](CNC1=[NH+]C[C@@H](C)N1)[NH+]1CCCC1 ZINC000848986415 582817242 /nfs/dbraw/zinc/81/72/42/582817242.db2.gz PWOMAOGOMOZNFV-GHMZBOCLSA-N 2 0 224.352 0.798 20 0 BCADRP CCNC(=[NH2+])NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000848986866 582818058 /nfs/dbraw/zinc/81/80/58/582818058.db2.gz IVCCMAIJDLZAAI-LLVKDONJSA-N 2 0 241.383 0.146 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[NH2+]1 ZINC000892289082 582828781 /nfs/dbraw/zinc/82/87/81/582828781.db2.gz BAGRIEJUUIIBCC-CHWFTXMASA-N 2 0 240.351 0.163 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)NCCC(C)(C)[NH3+])C[NH2+]1 ZINC000892293518 582829004 /nfs/dbraw/zinc/82/90/04/582829004.db2.gz FRYDWSCRZXRFPU-UWVGGRQHSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)NCCC(C)(C)[NH3+])C[NH2+]1 ZINC000892293520 582829380 /nfs/dbraw/zinc/82/93/80/582829380.db2.gz FRYDWSCRZXRFPU-ZJUUUORDSA-N 2 0 242.367 0.554 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000137395029 582873087 /nfs/dbraw/zinc/87/30/87/582873087.db2.gz SPHAXXOYXMQVCQ-NWDGAFQWSA-N 2 0 239.363 0.666 20 0 BCADRP CC1(C)CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000892548215 582910403 /nfs/dbraw/zinc/91/04/03/582910403.db2.gz AJBKUSAWMGWRQD-AOOOYVTPSA-N 2 0 240.351 0.117 20 0 BCADRP CON(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000850479840 582920119 /nfs/dbraw/zinc/92/01/19/582920119.db2.gz DGDGCNFOKSFBAU-GHMZBOCLSA-N 2 0 215.341 0.552 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCC(C)(C)[NH3+] ZINC000892846151 582995393 /nfs/dbraw/zinc/99/53/93/582995393.db2.gz JVDUHQQQXRGOLU-RKDXNWHRSA-N 2 0 228.340 0.245 20 0 BCADRP CN1CCC([NH2+]C[C@H](O)c2ccccn2)CC1 ZINC000853096899 583028541 /nfs/dbraw/zinc/02/85/41/583028541.db2.gz OXYDZKBLCCDDLS-ZDUSSCGKSA-N 2 0 235.331 0.799 20 0 BCADRP Cn1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000393632175 583095699 /nfs/dbraw/zinc/09/56/99/583095699.db2.gz MZPQVWOUCGVGRF-VXGBXAGGSA-N 2 0 205.305 0.676 20 0 BCADRP C[C@H]1C(=O)N(C)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000893713338 583211261 /nfs/dbraw/zinc/21/12/61/583211261.db2.gz XKMNRHYJSLNIGJ-NSHDSACASA-N 2 0 239.363 0.491 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000857104036 588887764 /nfs/dbraw/zinc/88/77/64/588887764.db2.gz LDAGJKBKAZMKDP-VHSXEESVSA-N 2 0 228.340 0.023 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NCCC[NH2+]C1CC1 ZINC000857104230 588887830 /nfs/dbraw/zinc/88/78/30/588887830.db2.gz QBKQBKQEDKUHNZ-VIFPVBQESA-N 2 0 228.340 0.165 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H](C)CCC[NH3+] ZINC000857104906 588888066 /nfs/dbraw/zinc/88/80/66/588888066.db2.gz ZVENFWKBPYVUGT-IUCAKERBSA-N 2 0 216.329 0.150 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000857106861 588888215 /nfs/dbraw/zinc/88/82/15/588888215.db2.gz CLUKLRZCRAIABQ-AEJSXWLSSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000857107127 588888325 /nfs/dbraw/zinc/88/83/25/588888325.db2.gz LRUYFCMXLBYXKG-GARJFASQSA-N 2 0 242.367 0.350 20 0 BCADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ncnn1C ZINC000893963169 583257814 /nfs/dbraw/zinc/25/78/14/583257814.db2.gz AACARRDRWGTTJR-JTQLQIEISA-N 2 0 237.351 0.808 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000857107539 588888522 /nfs/dbraw/zinc/88/85/22/588888522.db2.gz YGMFPHIGCMTHBP-UWVGGRQHSA-N 2 0 228.340 0.104 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@]2(CCO)CCOC2)CC1 ZINC000894069821 583295162 /nfs/dbraw/zinc/29/51/62/583295162.db2.gz GZXYAJVFPARXIK-CYBMUJFWSA-N 2 0 242.363 0.459 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000877243174 583304803 /nfs/dbraw/zinc/30/48/03/583304803.db2.gz IIPSVHTVTUOLDL-IWSPIJDZSA-N 2 0 247.289 0.085 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C[C@H]([NH3+])C1CC1 ZINC000841848354 583361788 /nfs/dbraw/zinc/36/17/88/583361788.db2.gz GDJZDQGSLASOKI-JTQLQIEISA-N 2 0 227.352 0.748 20 0 BCADRP C[NH+](C)C1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000857229362 588896330 /nfs/dbraw/zinc/89/63/30/588896330.db2.gz QSGRUEXUQCPOHR-VQXHTEKXSA-N 2 0 225.336 0.289 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000333684407 583418002 /nfs/dbraw/zinc/41/80/02/583418002.db2.gz ZYWDSDILPMBJMY-DCAQKATOSA-N 2 0 239.363 0.631 20 0 BCADRP C[NH+](C)C1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000857231034 588897334 /nfs/dbraw/zinc/89/73/34/588897334.db2.gz SDMNJFXMAJIAHQ-WHXUTIOJSA-N 2 0 225.336 0.147 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333746508 583441248 /nfs/dbraw/zinc/44/12/48/583441248.db2.gz YJHJYCOYAFAQCT-QWRGUYRKSA-N 2 0 240.351 0.261 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNc2cc[nH+]cc2CO)C1 ZINC000894426722 583457149 /nfs/dbraw/zinc/45/71/49/583457149.db2.gz CMPBJJOSGLRMSY-KLPPZKSPSA-N 2 0 235.331 0.748 20 0 BCADRP CN(CC1C[NH+](C)C1)c1nccn2cncc12 ZINC000894541258 583480832 /nfs/dbraw/zinc/48/08/32/583480832.db2.gz WFYBBNOLJJQQAV-UHFFFAOYSA-N 2 0 231.303 0.727 20 0 BCADRP C[C@H](CCO)[NH2+]C[C@@H]1CCCN1CCCO ZINC000894667716 583501878 /nfs/dbraw/zinc/50/18/78/583501878.db2.gz KJQGIZBTGDWDTM-NEPJUHHUSA-N 2 0 230.352 0.194 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)CC1 ZINC000894780268 583520776 /nfs/dbraw/zinc/52/07/76/583520776.db2.gz CJAVRDQVOBZLIA-NWDGAFQWSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CCO[C@@H](CF)C2)CC1 ZINC000894886878 583546660 /nfs/dbraw/zinc/54/66/60/583546660.db2.gz BYPGOLJMEKPYNO-LBPRGKRZSA-N 2 0 230.327 0.999 20 0 BCADRP COC(=O)C1(C)C[NH+](CC2CC[NH+](C)CC2)C1 ZINC000895017327 583568816 /nfs/dbraw/zinc/56/88/16/583568816.db2.gz CVLVPBSGRNLDQV-UHFFFAOYSA-N 2 0 240.347 0.823 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC(=O)N2CCC[NH2+]CC2)C1 ZINC000334953275 583597006 /nfs/dbraw/zinc/59/70/06/583597006.db2.gz SZAIUFXFYRAQCD-QWRGUYRKSA-N 2 0 240.351 0.261 20 0 BCADRP CCON(C)C(=O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000895162951 583611117 /nfs/dbraw/zinc/61/11/17/583611117.db2.gz KJNBFJZYBGMUKI-UHFFFAOYSA-N 2 0 243.351 0.328 20 0 BCADRP C[C@H](CC[NH2+][C@H]1CCNC(=O)CC1)[NH+](C)C ZINC000895294605 583638250 /nfs/dbraw/zinc/63/82/50/583638250.db2.gz XICNRTAJMDHIAV-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP COC(=O)[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000895466421 583678706 /nfs/dbraw/zinc/67/87/06/583678706.db2.gz UTIRDBORDUIQKP-HAQNSBGRSA-N 2 0 240.347 0.869 20 0 BCADRP CCn1ncc(C[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000895561411 583691106 /nfs/dbraw/zinc/69/11/06/583691106.db2.gz RDPILSWRBPHZHJ-UHFFFAOYSA-N 2 0 237.351 0.729 20 0 BCADRP C[C@H]1[C@@H](Nc2cc[nH+]cc2CO)CC[N@@H+]1C ZINC000895736257 583717942 /nfs/dbraw/zinc/71/79/42/583717942.db2.gz IRYMHTMHNILNMR-ONGXEEELSA-N 2 0 221.304 0.500 20 0 BCADRP C[N@@H+]1CCC[C@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000895799568 583731098 /nfs/dbraw/zinc/73/10/98/583731098.db2.gz UNVBOWWDJZDVEU-LBPRGKRZSA-N 2 0 248.330 0.126 20 0 BCADRP CC[NH+]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883421944 583803100 /nfs/dbraw/zinc/80/31/00/583803100.db2.gz ABIXQZGLJNBSMR-QWRGUYRKSA-N 2 0 215.316 0.324 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]C(C)(C)C)C1 ZINC000896507590 583808246 /nfs/dbraw/zinc/80/82/46/583808246.db2.gz YFPIDXSDHMJBPI-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000896821912 583837138 /nfs/dbraw/zinc/83/71/38/583837138.db2.gz XKWQIZPJVXFIQQ-NSHDSACASA-N 2 0 241.379 0.879 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000144977324 583930607 /nfs/dbraw/zinc/93/06/07/583930607.db2.gz HNSYLYCEDXELFN-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870946392 583931944 /nfs/dbraw/zinc/93/19/44/583931944.db2.gz HJIUZRJTKDZXSA-GHHKWEBWSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000897429477 583973158 /nfs/dbraw/zinc/97/31/58/583973158.db2.gz FEPKELZOLIZDEO-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP CC[N@H+](CCNC(=[NH2+])N[C@@H]1C[C@H]1C)C1CC1 ZINC000864458276 584006803 /nfs/dbraw/zinc/00/68/03/584006803.db2.gz YALRSQTTWCTTEL-MWLCHTKSSA-N 2 0 224.352 0.993 20 0 BCADRP C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC000897896964 584058402 /nfs/dbraw/zinc/05/84/02/584058402.db2.gz FWQPZDDYGATCSD-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP Cc1cccnc1NC(=O)CN(C)CCC[NH3+] ZINC000866660654 584121576 /nfs/dbraw/zinc/12/15/76/584121576.db2.gz IESLRLRCXNOCRA-UHFFFAOYSA-N 2 0 236.319 0.609 20 0 BCADRP C[C@@H](C[C@H]1COCCN1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249921 584128354 /nfs/dbraw/zinc/12/83/54/584128354.db2.gz NJBFRJMLWBJZJZ-YFKTTZPYSA-N 2 0 227.352 0.080 20 0 BCADRP c1nc(N2CC[NH2+]CC2)cnc1C1=CC[NH2+]CC1 ZINC000899324029 584196742 /nfs/dbraw/zinc/19/67/42/584196742.db2.gz TXEGFQAJXJSUGR-UHFFFAOYSA-N 2 0 245.330 0.263 20 0 BCADRP [NH3+]Cc1nnnn1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000899633335 584221435 /nfs/dbraw/zinc/22/14/35/584221435.db2.gz UDSULAHYWPJMIJ-PBINXNQUSA-N 2 0 236.323 0.053 20 0 BCADRP [NH3+]Cc1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000899740552 584233966 /nfs/dbraw/zinc/23/39/66/584233966.db2.gz HOAAAROMWVTXGU-VIFPVBQESA-N 2 0 209.297 0.127 20 0 BCADRP [NH3+]Cc1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899740551 584234161 /nfs/dbraw/zinc/23/41/61/584234161.db2.gz HOAAAROMWVTXGU-SECBINFHSA-N 2 0 209.297 0.127 20 0 BCADRP O[C@@H](C[NH2+]CCCn1ccnc1)C1(O)CCC1 ZINC000899856490 584243880 /nfs/dbraw/zinc/24/38/80/584243880.db2.gz USUJXBSVUJIGAO-NSHDSACASA-N 2 0 239.319 0.139 20 0 BCADRP C[NH2+][C@@H](C)Cc1noc(C[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000900009016 584264570 /nfs/dbraw/zinc/26/45/70/584264570.db2.gz SRVGQUKNXWAWAC-KXUCPTDWSA-N 2 0 238.335 0.618 20 0 BCADRP O=C(NCC[NH+]1CCCC1)C12CC[NH+](CC1)C2 ZINC000900010796 584265224 /nfs/dbraw/zinc/26/52/24/584265224.db2.gz DKFIHMSENIEKOG-UHFFFAOYSA-N 2 0 237.347 0.294 20 0 BCADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH+](C)C ZINC000900162570 584281396 /nfs/dbraw/zinc/28/13/96/584281396.db2.gz GVQTYGKWRBKWIO-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000900588684 584328848 /nfs/dbraw/zinc/32/88/48/584328848.db2.gz GESPZLLNOXTDHQ-JTQLQIEISA-N 2 0 236.319 0.553 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)CNc1ccccn1 ZINC000900696404 584339080 /nfs/dbraw/zinc/33/90/80/584339080.db2.gz XXKVKWVGQVYEDY-NSHDSACASA-N 2 0 248.330 0.704 20 0 BCADRP CC[C@@H](C(=O)N1CCN(C)[C@@H](C)[C@@H]1C)[NH+](C)C ZINC000901306349 584420111 /nfs/dbraw/zinc/42/01/11/584420111.db2.gz JZCGHJOQKREARC-SRVKXCTJSA-N 2 0 241.379 0.878 20 0 BCADRP C[C@H](CO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361246 584572040 /nfs/dbraw/zinc/57/20/40/584572040.db2.gz OXUYKRLBSYKCMA-ZJUUUORDSA-N 2 0 200.326 0.735 20 0 BCADRP CC(C)[C@H](Cn1cccn1)[NH2+]CC1([NH3+])CC1 ZINC000902408174 584574512 /nfs/dbraw/zinc/57/45/12/584574512.db2.gz XZROKBPKXHZWIA-NSHDSACASA-N 2 0 222.336 0.989 20 0 BCADRP CC1(C)C[NH2+]CC[C@H](NCC2([NH3+])CC2)C1 ZINC000902411392 584576048 /nfs/dbraw/zinc/57/60/48/584576048.db2.gz ZBAQXAONZMTTQW-JTQLQIEISA-N 2 0 211.353 0.846 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CNC(=O)C2)C1 ZINC000902390894 584582070 /nfs/dbraw/zinc/58/20/70/584582070.db2.gz QSRKYBGFORYKFP-GHMZBOCLSA-N 2 0 239.363 0.490 20 0 BCADRP COCC[NH2+]CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391976 584582746 /nfs/dbraw/zinc/58/27/46/584582746.db2.gz DAKZWGUVQWUJHG-GFCCVEGCSA-N 2 0 243.395 0.590 20 0 BCADRP CC1(C)C[NH2+]CC[C@H](NC[C@H]2C[NH2+]CCO2)C1 ZINC000902394296 584583329 /nfs/dbraw/zinc/58/33/29/584583329.db2.gz UPPZYNJZCZDJJC-NWDGAFQWSA-N 2 0 241.379 0.343 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000902395477 584584441 /nfs/dbraw/zinc/58/44/41/584584441.db2.gz FUFADGVYOAPZAZ-GFCCVEGCSA-N 3 0 243.395 0.720 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902402474 584588254 /nfs/dbraw/zinc/58/82/54/584588254.db2.gz LUCJDANNELYITC-GRYCIOLGSA-N 2 0 225.380 0.962 20 0 BCADRP NOCCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000902415452 584589621 /nfs/dbraw/zinc/58/96/21/584589621.db2.gz OCYNCWPFMCUJQB-UWVGGRQHSA-N 2 0 201.314 0.516 20 0 BCADRP C[C@H]1C[C@@H](NCC2([NH3+])CC2)C[N@@H+]1C1CC1 ZINC000902415582 584589686 /nfs/dbraw/zinc/58/96/86/584589686.db2.gz JILNTKMGHPVPGA-VHSXEESVSA-N 2 0 209.337 0.693 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCCON)CC[N@@H+]1C ZINC000902420521 584592241 /nfs/dbraw/zinc/59/22/41/584592241.db2.gz XZCMAXTYXXSWEF-VHSXEESVSA-N 2 0 201.314 0.339 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000902440933 584597674 /nfs/dbraw/zinc/59/76/74/584597674.db2.gz BLGTWSYDXSVLPP-VWYCJHECSA-N 2 0 211.353 0.844 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000902441505 584597693 /nfs/dbraw/zinc/59/76/93/584597693.db2.gz DMELIQRMOQWSHN-GHMZBOCLSA-N 2 0 211.353 0.716 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000902440928 584597716 /nfs/dbraw/zinc/59/77/16/584597716.db2.gz BLGTWSYDXSVLPP-AXFHLTTASA-N 2 0 211.353 0.844 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1N[C@H]1CC[NH2+]C1(C)C ZINC000902444413 584599171 /nfs/dbraw/zinc/59/91/71/584599171.db2.gz NJZXWLVFQOUSKO-VHSXEESVSA-N 2 0 211.353 0.715 20 0 BCADRP NOCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000902414790 584600210 /nfs/dbraw/zinc/60/02/10/584600210.db2.gz CJADGBHTERTEPZ-HBNTYKKESA-N 2 0 213.325 0.245 20 0 BCADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902415033 584600972 /nfs/dbraw/zinc/60/09/72/584600972.db2.gz JTLGDCKYCKOZET-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)[NH2+]2 ZINC000902460029 584610904 /nfs/dbraw/zinc/61/09/04/584610904.db2.gz FNIHHBOLWDCDBK-QCXNTBKTSA-N 2 0 235.375 0.998 20 0 BCADRP C1CC2(C1)[NH2+]CC[C@H]2N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461497 584611367 /nfs/dbraw/zinc/61/13/67/584611367.db2.gz NYLVLYGBLNBDDI-IRCOFANPSA-N 2 0 221.348 0.754 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461254 584611436 /nfs/dbraw/zinc/61/14/36/584611436.db2.gz NFKNZTYZHMWRSZ-KKJSVHSVSA-N 2 0 209.337 0.596 20 0 BCADRP COC[C@H](CCC[NH3+])N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902462634 584612379 /nfs/dbraw/zinc/61/23/79/584612379.db2.gz WLEXWXLZWBQQLX-NNYUYHANSA-N 2 0 227.352 0.223 20 0 BCADRP C1C[C@@H]2[NH2+][C@H]1C[C@@H]2[NH2+][C@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000902462390 584612595 /nfs/dbraw/zinc/61/25/95/584612595.db2.gz VNLUXSMFYWQZSE-PRFQISJJSA-N 3 0 235.375 0.857 20 0 BCADRP Cn1cnc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000902462640 584612665 /nfs/dbraw/zinc/61/26/65/584612665.db2.gz WQQCQJPRHSIWEB-IJLUTSLNSA-N 2 0 234.347 0.898 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)[NH2+]2 ZINC000902464918 584613128 /nfs/dbraw/zinc/61/31/28/584613128.db2.gz FNIHHBOLWDCDBK-BFJAEPJVSA-N 2 0 235.375 0.998 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902465606 584613885 /nfs/dbraw/zinc/61/38/85/584613885.db2.gz HLCMVSWISFISSM-CKIKVBCHSA-N 2 0 223.364 0.986 20 0 BCADRP [NH3+][C@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C12CCC2 ZINC000902469251 584615745 /nfs/dbraw/zinc/61/57/45/584615745.db2.gz ZYPQELGXKVIKOB-CSYMLDBXSA-N 2 0 221.348 0.739 20 0 BCADRP C1C[C@@H]2[NH2+][C@H]1C[C@H]2[NH2+][C@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000902469277 584615946 /nfs/dbraw/zinc/61/59/46/584615946.db2.gz VNLUXSMFYWQZSE-IKKURHKOSA-N 3 0 235.375 0.857 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470824 584616253 /nfs/dbraw/zinc/61/62/53/584616253.db2.gz HGLIZGVUWGEIHH-ZJMQZLNVSA-N 2 0 235.375 0.952 20 0 BCADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902491351 584618063 /nfs/dbraw/zinc/61/80/63/584618063.db2.gz VTIJMDWJJGRTFW-MRBYEJRBSA-N 2 0 223.364 0.796 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000902503868 584621254 /nfs/dbraw/zinc/62/12/54/584621254.db2.gz LNELKRDVMABIFV-TUAOUCFPSA-N 2 0 212.337 0.864 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000902503867 584621295 /nfs/dbraw/zinc/62/12/95/584621295.db2.gz LNELKRDVMABIFV-SRVKXCTJSA-N 2 0 212.337 0.864 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H](O)C1CC1 ZINC000902506617 584622028 /nfs/dbraw/zinc/62/20/28/584622028.db2.gz YSJXQLLDNDSLOY-ATZCPNFKSA-N 2 0 200.326 0.863 20 0 BCADRP C[C@H](C[C@@H]1COCCN1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486263 584625188 /nfs/dbraw/zinc/62/51/88/584625188.db2.gz CMWWJUDSERDURB-DDHJBXDOSA-N 2 0 227.352 0.080 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000902486261 584625345 /nfs/dbraw/zinc/62/53/45/584625345.db2.gz CMEPTPJEBIVVJL-YYHQMBLXSA-N 3 0 223.364 0.701 20 0 BCADRP C[C@@H](C[C@@H]1COCCN1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486264 584625396 /nfs/dbraw/zinc/62/53/96/584625396.db2.gz CMWWJUDSERDURB-FIQHERPVSA-N 2 0 227.352 0.080 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000902487104 584625792 /nfs/dbraw/zinc/62/57/92/584625792.db2.gz IMIDJEYKZILYMQ-KKOKHZNYSA-N 3 0 211.353 0.831 20 0 BCADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1)[NH2+]2 ZINC000902487539 584625857 /nfs/dbraw/zinc/62/58/57/584625857.db2.gz JRMBEVVDXBYPRZ-RJRAAQABSA-N 3 0 223.364 0.842 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000902488245 584627011 /nfs/dbraw/zinc/62/70/11/584627011.db2.gz MKRAYYLUOKUCTG-UJPLBGJFSA-N 3 0 221.348 0.310 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cn(C)nn1 ZINC000903042984 584720981 /nfs/dbraw/zinc/72/09/81/584720981.db2.gz MRKMQUCJDUEIHI-MXWKQRLJSA-N 2 0 237.351 0.806 20 0 BCADRP COC[C@@](C)(CCO)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903440841 584763331 /nfs/dbraw/zinc/76/33/31/584763331.db2.gz FDRPQONIBYFOBG-GRYCIOLGSA-N 2 0 230.352 0.219 20 0 BCADRP NC[C@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903420975 584763839 /nfs/dbraw/zinc/76/38/39/584763839.db2.gz IRTYCOOOXSQVPW-GRYCIOLGSA-N 2 0 211.353 0.927 20 0 BCADRP CCCN(C[C@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000903423348 584764207 /nfs/dbraw/zinc/76/42/07/584764207.db2.gz SOQFITNEPFKBAV-NEPJUHHUSA-N 2 0 211.353 0.812 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H](C[NH3+])C1 ZINC000903422360 584764392 /nfs/dbraw/zinc/76/43/92/584764392.db2.gz ZWZKNYUDLFAFTO-UTUOFQBUSA-N 2 0 211.353 0.513 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903425132 584765007 /nfs/dbraw/zinc/76/50/07/584765007.db2.gz UEKHTBCSQZDVSK-GRYCIOLGSA-N 2 0 211.353 0.526 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903424952 584765183 /nfs/dbraw/zinc/76/51/83/584765183.db2.gz NBWKDKAJRZJROT-QJPTWQEYSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000903424895 584765289 /nfs/dbraw/zinc/76/52/89/584765289.db2.gz KSXPDBGFSXBKMN-USZNOCQGSA-N 3 0 211.353 0.783 20 0 BCADRP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903458463 584765402 /nfs/dbraw/zinc/76/54/02/584765402.db2.gz AMPDZNZLJBVROR-UTUOFQBUSA-N 2 0 222.336 0.717 20 0 BCADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCO1 ZINC000903458724 584765504 /nfs/dbraw/zinc/76/55/04/584765504.db2.gz IHCMYLYVIBLGNH-NOOOWODRSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000903459335 584765706 /nfs/dbraw/zinc/76/57/06/584765706.db2.gz GYLJAHHFCRUNCZ-AGIUHOORSA-N 2 0 249.362 0.771 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000903459802 584766493 /nfs/dbraw/zinc/76/64/93/584766493.db2.gz NKQNHCFGIMXYEH-AGIUHOORSA-N 2 0 223.364 0.670 20 0 BCADRP C(CN1CCC2(CC[NH2+]2)CC1)OC1CC1 ZINC000903459963 584766779 /nfs/dbraw/zinc/76/67/79/584766779.db2.gz SFXOUQYBEJXRMN-UHFFFAOYSA-N 2 0 210.321 0.993 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(CCOC1CC1)C2 ZINC000903464207 584767469 /nfs/dbraw/zinc/76/74/69/584767469.db2.gz DFGKYCSDNMUSIQ-PWSUYJOCSA-N 2 0 210.321 0.979 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000903452451 584771752 /nfs/dbraw/zinc/77/17/52/584771752.db2.gz MOEQNSYQQYMVLK-QJPTWQEYSA-N 2 0 209.337 0.422 20 0 BCADRP CON1CC[C@H]([N@@H+]2CCC[C@H](CC[NH3+])C2)C1=O ZINC000903450321 584772309 /nfs/dbraw/zinc/77/23/09/584772309.db2.gz UDKYMXYGYXTGSF-MNOVXSKESA-N 2 0 241.335 0.210 20 0 BCADRP CC[C@H]1CN(C[C@@H]2C[NH2+]C[C@H]2C)CC[C@H]1[NH3+] ZINC000903450463 584772322 /nfs/dbraw/zinc/77/23/22/584772322.db2.gz WLIYNHYITRJXQJ-MROQNXINSA-N 2 0 225.380 0.901 20 0 BCADRP C[C@@H]1CN[C@@H](C)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903453820 584772658 /nfs/dbraw/zinc/77/26/58/584772658.db2.gz MTJAMZPHRVXCGR-QCNOEVLYSA-N 2 0 211.353 0.796 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000903452884 584773050 /nfs/dbraw/zinc/77/30/50/584773050.db2.gz UNFVTICKIUKIGS-CHWSQXEVSA-N 2 0 223.364 0.814 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000903454580 584773212 /nfs/dbraw/zinc/77/32/12/584773212.db2.gz CRVKRANRVGFGSQ-NJMOYASZSA-N 2 0 225.380 0.818 20 0 BCADRP COC(=O)[C@H](C)C[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903454933 584773657 /nfs/dbraw/zinc/77/36/57/584773657.db2.gz OBMSDAYRMKKLGI-MXWKQRLJSA-N 2 0 228.336 0.583 20 0 BCADRP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H]1CCOC1 ZINC000903470464 584774674 /nfs/dbraw/zinc/77/46/74/584774674.db2.gz LXJAGZSSPSFRTB-GHMZBOCLSA-N 2 0 210.321 0.897 20 0 BCADRP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1CCOC1 ZINC000903470465 584774912 /nfs/dbraw/zinc/77/49/12/584774912.db2.gz LXJAGZSSPSFRTB-MNOVXSKESA-N 2 0 210.321 0.897 20 0 BCADRP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903471292 584775527 /nfs/dbraw/zinc/77/55/27/584775527.db2.gz IECDIQYWNHQILO-RYUDHWBXSA-N 3 0 223.364 0.860 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000903474919 584776829 /nfs/dbraw/zinc/77/68/29/584776829.db2.gz URHAYYIVUNCNLY-RQJABVFESA-N 3 0 237.391 0.773 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC([NH2+]CCO)CC2)C1 ZINC000903477354 584778148 /nfs/dbraw/zinc/77/81/48/584778148.db2.gz ZKZUAIGKMHZDEK-NWDGAFQWSA-N 3 0 241.379 0.160 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000903482586 584779089 /nfs/dbraw/zinc/77/90/89/584779089.db2.gz LVCUGZKCTDSUPZ-YTWAJWBKSA-N 2 0 211.353 0.557 20 0 BCADRP C[NH2+]CCCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000903484868 584779312 /nfs/dbraw/zinc/77/93/12/584779312.db2.gz XFLMULMMEDNSQI-LLVKDONJSA-N 2 0 211.353 0.860 20 0 BCADRP C[NH2+]CCCN[C@H]1CC[NH2+]C12CCCC2 ZINC000903484869 584779645 /nfs/dbraw/zinc/77/96/45/584779645.db2.gz XFLMULMMEDNSQI-NSHDSACASA-N 2 0 211.353 0.860 20 0 BCADRP CON1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)C1=O ZINC000903499745 584779992 /nfs/dbraw/zinc/77/99/92/584779992.db2.gz ZKTQZNYGZGMXGA-GMTAPVOTSA-N 2 0 241.335 0.065 20 0 BCADRP C[C@@H]1C[N@H+](CCc2cncn2C)C[C@H]1CC[NH3+] ZINC000903498477 584780194 /nfs/dbraw/zinc/78/01/94/584780194.db2.gz HBBKJTFXNBOCNF-VXGBXAGGSA-N 3 0 236.363 0.879 20 0 BCADRP CCC[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491040 584781172 /nfs/dbraw/zinc/78/11/72/584781172.db2.gz SAKNHIDTJXKFGL-UMNHJUIQSA-N 2 0 226.320 0.609 20 0 BCADRP [NH3+]CCN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903538665 584781602 /nfs/dbraw/zinc/78/16/02/584781602.db2.gz CVMIJTIWDWDDIY-BQBZGAKWSA-N 2 0 211.231 0.157 20 0 BCADRP C[NH2+]C[C@@H]1CCCCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000903526531 584781810 /nfs/dbraw/zinc/78/18/10/584781810.db2.gz KFWWKTNOLXBSQU-SRVKXCTJSA-N 2 0 229.343 0.760 20 0 BCADRP C[C@](C[NH3+])(NC[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000903717334 584792063 /nfs/dbraw/zinc/79/20/63/584792063.db2.gz NSKYVOYPVSCGID-CHWSQXEVSA-N 2 0 241.379 0.160 20 0 BCADRP C[NH2+][C@@H]1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903713414 584793370 /nfs/dbraw/zinc/79/33/70/584793370.db2.gz PSVKXFWJWQNHHL-UPJWGTAASA-N 2 0 239.363 0.049 20 0 BCADRP [NH3+][C@@H]1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903712859 584793437 /nfs/dbraw/zinc/79/34/37/584793437.db2.gz AIUNUQYWHIUKBO-VXGBXAGGSA-N 2 0 239.363 0.178 20 0 BCADRP [NH3+][C@@H]1CCCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903713233 584793664 /nfs/dbraw/zinc/79/36/64/584793664.db2.gz JDJRVSMBLBLIFC-AGIUHOORSA-N 2 0 239.363 0.178 20 0 BCADRP CN(C[C@H]1CC2(CO1)CC[NH2+]CC2)C1C[NH2+]C1 ZINC000903749888 584794578 /nfs/dbraw/zinc/79/45/78/584794578.db2.gz RMNPCQLWVGNMRQ-GFCCVEGCSA-N 2 0 239.363 0.049 20 0 BCADRP C[N@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC([NH3+])C1 ZINC000903748869 584794779 /nfs/dbraw/zinc/79/47/79/584794779.db2.gz CAYHNVLYJWCVJU-FIYWTHMPSA-N 3 0 239.363 0.177 20 0 BCADRP FC(F)[C@H]1C[NH2+]CCN1C[C@H]1CCCC[NH2+]C1 ZINC000903749641 584794965 /nfs/dbraw/zinc/79/49/65/584794965.db2.gz NNLGBBLDHVZZTR-WDEREUQCSA-N 2 0 247.333 0.915 20 0 BCADRP C([C@@H]1CCCC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000903751024 584795683 /nfs/dbraw/zinc/79/56/83/584795683.db2.gz BMDAJUGQQACZQK-UPJWGTAASA-N 2 0 223.364 0.670 20 0 BCADRP C[C@H]1CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC[NH2+]1 ZINC000903751695 584795704 /nfs/dbraw/zinc/79/57/04/584795704.db2.gz LWYMPBCYEKCPEQ-AVGNSLFASA-N 2 0 239.363 0.049 20 0 BCADRP C[NH2+]CCCN(C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903760372 584797091 /nfs/dbraw/zinc/79/70/91/584797091.db2.gz GNDFRFKVLKKMJF-CHWSQXEVSA-N 2 0 241.379 0.296 20 0 BCADRP O[C@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903764266 584797133 /nfs/dbraw/zinc/79/71/33/584797133.db2.gz QQIVOEIGQYCUSQ-NEPJUHHUSA-N 2 0 212.337 0.833 20 0 BCADRP O[C@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903764268 584797577 /nfs/dbraw/zinc/79/75/77/584797577.db2.gz QQIVOEIGQYCUSQ-RYUDHWBXSA-N 2 0 212.337 0.833 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000903774970 584799067 /nfs/dbraw/zinc/79/90/67/584799067.db2.gz DGPUQGOPJAYIEN-WRWGMCAJSA-N 2 0 240.347 0.712 20 0 BCADRP C[C@@H]([NH3+])CN(C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903774923 584799343 /nfs/dbraw/zinc/79/93/43/584799343.db2.gz CECRWCRRDDOCIC-VXGBXAGGSA-N 2 0 241.379 0.424 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903778646 584799945 /nfs/dbraw/zinc/79/99/45/584799945.db2.gz QJQXIFQQOKQYIH-VOAKCMCISA-N 2 0 239.363 0.177 20 0 BCADRP C[NH2+]CCCN1CC[NH2+]CCC12CCOCC2 ZINC000903817649 584800845 /nfs/dbraw/zinc/80/08/45/584800845.db2.gz CEXHUBMBPBUZFU-UHFFFAOYSA-N 2 0 241.379 0.440 20 0 BCADRP C[N@H+](CC1CC[NH2+]CC1)C1(CN)CCOCC1 ZINC000903806334 584803061 /nfs/dbraw/zinc/80/30/61/584803061.db2.gz VXZPJYDSJZZIRW-UHFFFAOYSA-N 2 0 241.379 0.426 20 0 BCADRP C[N@H+](CCCCCC[NH3+])C1(CN)CCOCC1 ZINC000903809587 584803248 /nfs/dbraw/zinc/80/32/48/584803248.db2.gz GKUOCBDYNMJYHF-UHFFFAOYSA-N 2 0 243.395 0.945 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000903821278 584803792 /nfs/dbraw/zinc/80/37/92/584803792.db2.gz JABILLOLQAWFOI-NSHDSACASA-N 3 0 211.353 0.574 20 0 BCADRP CC[N@@H+](CCC(=O)NC)CC[C@H]1CC[NH2+]C1 ZINC000903825913 584804624 /nfs/dbraw/zinc/80/46/24/584804624.db2.gz FBVSUNWULACKID-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP CC[N@@H+](CCC(=O)NC)CC[C@@H]1CCC[NH2+]C1 ZINC000903826341 584805040 /nfs/dbraw/zinc/80/50/40/584805040.db2.gz IVDGZCNVZUQHDO-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP CC[N@@H+](CCC(=O)NC)CC[C@H]1CCC[NH2+]C1 ZINC000903826340 584805188 /nfs/dbraw/zinc/80/51/88/584805188.db2.gz IVDGZCNVZUQHDO-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP OCC[C@H]1COCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000903829147 584805357 /nfs/dbraw/zinc/80/53/57/584805357.db2.gz AUYQVYOJDBYYOS-OLZOCXBDSA-N 2 0 242.363 0.459 20 0 BCADRP CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903829597 584805491 /nfs/dbraw/zinc/80/54/91/584805491.db2.gz IDNPGNGKQBRHPT-GRYCIOLGSA-N 2 0 240.347 0.474 20 0 BCADRP [NH3+]CCCCCCC[N@@H+]1CCOC[C@H]1CCO ZINC000903829325 584805713 /nfs/dbraw/zinc/80/57/13/584805713.db2.gz DCJSCTMSYAFPHG-CYBMUJFWSA-N 2 0 244.379 0.979 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]([NH3+])C3)C1 ZINC000903839453 584807112 /nfs/dbraw/zinc/80/71/12/584807112.db2.gz LCZYFXGNAJOBBQ-WJTVCTBASA-N 3 0 223.364 0.925 20 0 BCADRP NC[C@]12CC[C@@H]1CC[N@@H+]2CC[C@H]1CC[NH2+]C1 ZINC000903858872 584810849 /nfs/dbraw/zinc/81/08/49/584810849.db2.gz JROHLZUXWDTKCK-JHJVBQTASA-N 2 0 223.364 0.799 20 0 BCADRP [NH3+]C[C@@]12CC[C@@H]1CCN2C[C@H]1CCC[NH2+]1 ZINC000903861447 584812167 /nfs/dbraw/zinc/81/21/67/584812167.db2.gz XFCZYOKBVSKCJE-UTUOFQBUSA-N 2 0 209.337 0.552 20 0 BCADRP [NH3+]C[C@@]12CC[C@@H]1CCN2CCC[NH2+]C1CC1 ZINC000903862953 584813128 /nfs/dbraw/zinc/81/31/28/584813128.db2.gz HHDYAJLENWYZHY-YPMHNXCESA-N 2 0 223.364 0.942 20 0 BCADRP CN(C[C@H]([NH3+])CC(F)F)[C@H]1CCCCNC1=O ZINC000903889414 584813565 /nfs/dbraw/zinc/81/35/65/584813565.db2.gz RTWFHPDSAQJPEO-BDAKNGLRSA-N 2 0 249.305 0.569 20 0 BCADRP c1nc2n(n1)[C@@H](CN1CCC[C@@]13CC[NH2+]C3)CC2 ZINC000903869123 584813784 /nfs/dbraw/zinc/81/37/84/584813784.db2.gz BOYAQDTYENWQPO-YPMHNXCESA-N 2 0 247.346 0.593 20 0 BCADRP C(CN1CCC[C@@]12CC[NH2+]C2)O[C@@H]1CCOC1 ZINC000903869125 584813809 /nfs/dbraw/zinc/81/38/09/584813809.db2.gz BOZVWYAAOHJFEH-OLZOCXBDSA-N 2 0 240.347 0.620 20 0 BCADRP c1nc2n(n1)[C@@H](CN1CCC[C@]13CC[NH2+]C3)CC2 ZINC000903869121 584814018 /nfs/dbraw/zinc/81/40/18/584814018.db2.gz BOYAQDTYENWQPO-DGCLKSJQSA-N 2 0 247.346 0.593 20 0 BCADRP CCN(C)C(=O)CCN1CCC[C@]12CC[NH2+]C2 ZINC000903871423 584815235 /nfs/dbraw/zinc/81/52/35/584815235.db2.gz UKIUKDJJMXXXIM-CYBMUJFWSA-N 2 0 239.363 0.683 20 0 BCADRP CN(C[C@@H]([NH3+])CC(F)F)[C@H]1CC[NH2+]C1 ZINC000903874002 584815712 /nfs/dbraw/zinc/81/57/12/584815712.db2.gz QGPHYAATQRNGAF-YUMQZZPRSA-N 2 0 207.268 0.263 20 0 BCADRP C[C@@H]1[NH2+]CCN(C[C@@H]([NH3+])CC(F)F)[C@H]1C ZINC000903874171 584815850 /nfs/dbraw/zinc/81/58/50/584815850.db2.gz UNBFBCOYUYJEGQ-CIUDSAMLSA-N 2 0 221.295 0.651 20 0 BCADRP C[NH2+][C@@H]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903874390 584816145 /nfs/dbraw/zinc/81/61/45/584816145.db2.gz ZOVGYLBVXGISKD-PSEXLTFBSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)C[C@H](C)[NH2+]1 ZINC000903874097 584816224 /nfs/dbraw/zinc/81/62/24/584816224.db2.gz SHVXLANBEGQZBF-HRDYMLBCSA-N 2 0 221.295 0.651 20 0 BCADRP CCN(C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903877515 584816464 /nfs/dbraw/zinc/81/64/64/584816464.db2.gz BFTCHYYRAMBTEG-SNVBAGLBSA-N 2 0 223.324 0.654 20 0 BCADRP COC[C@@H]1C[NH2+]CCN1CCCCCCC[NH3+] ZINC000903880983 584817005 /nfs/dbraw/zinc/81/70/05/584817005.db2.gz OHQRPPBNWVBVPR-ZDUSSCGKSA-N 2 0 243.395 0.816 20 0 BCADRP COC[C@H]1C[NH2+]CCN1CCCCCCC[NH3+] ZINC000903880982 584817468 /nfs/dbraw/zinc/81/74/68/584817468.db2.gz OHQRPPBNWVBVPR-CYBMUJFWSA-N 2 0 243.395 0.816 20 0 BCADRP COC[C@H]1CNCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903883886 584818382 /nfs/dbraw/zinc/81/83/82/584818382.db2.gz ZYQBWAAIGITDJN-GRYCIOLGSA-N 2 0 227.352 0.034 20 0 BCADRP COC[C@H]1C[NH2+]CCN1CCC[NH2+]C1CC1 ZINC000903883172 584818433 /nfs/dbraw/zinc/81/84/33/584818433.db2.gz UNOCCUSGNJRUTK-GFCCVEGCSA-N 2 0 227.352 0.049 20 0 BCADRP C[C@@H]1C[C@@H](O)C[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903914773 584819268 /nfs/dbraw/zinc/81/92/68/584819268.db2.gz WDSBODRDOHHABI-JVGWCMFKSA-N 2 0 224.348 0.972 20 0 BCADRP C[C@H](O)C[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903904684 584820934 /nfs/dbraw/zinc/82/09/34/584820934.db2.gz YGULHBQFBKCIFT-YEJSDXFRSA-N 2 0 212.337 0.830 20 0 BCADRP C[C@@H](O)C[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903904683 584821129 /nfs/dbraw/zinc/82/11/29/584821129.db2.gz YGULHBQFBKCIFT-WAAKLRNESA-N 2 0 212.337 0.830 20 0 BCADRP CC(C)(C)[C@@H](CO)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903903489 584821342 /nfs/dbraw/zinc/82/13/42/584821342.db2.gz LKUSYMBYHUJDKE-JGVFFNPUSA-N 2 0 224.295 0.966 20 0 BCADRP C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1[NH3+] ZINC000903915349 584822754 /nfs/dbraw/zinc/82/27/54/584822754.db2.gz BEQRSSVKGIYRLL-JVGWCMFKSA-N 3 0 223.364 0.796 20 0 BCADRP C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C)[NH3+] ZINC000903920983 584822912 /nfs/dbraw/zinc/82/29/12/584822912.db2.gz ZGCITCNYTBJHDE-JQYRIEHKSA-N 3 0 211.353 0.842 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]([NH3+])CC(F)F ZINC000903918837 584823097 /nfs/dbraw/zinc/82/30/97/584823097.db2.gz JCLXTJQVFHXQGG-YIZRAAEISA-N 2 0 221.295 0.699 20 0 BCADRP [NH3+][C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)CC(F)F ZINC000903920572 584823229 /nfs/dbraw/zinc/82/32/29/584823229.db2.gz WCNQDSCVLKORSP-HRDYMLBCSA-N 2 0 221.295 0.828 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC[C@@H]([NH3+])CC(F)F ZINC000903934212 584825203 /nfs/dbraw/zinc/82/52/03/584825203.db2.gz DRCFMRSKFQUWMJ-XHNCKOQMSA-N 2 0 221.295 0.699 20 0 BCADRP CN(C[C@@H]([NH3+])CC(F)F)CC(C)(C)[NH3+] ZINC000903933045 584825230 /nfs/dbraw/zinc/82/52/30/584825230.db2.gz KFDSJGLJJFYNAI-ZETCQYMHSA-N 2 0 209.284 0.638 20 0 BCADRP [NH3+][C@H](CN[C@@]12CCC[C@@H]1[NH2+]CC2)CC(F)F ZINC000903937647 584826201 /nfs/dbraw/zinc/82/62/01/584826201.db2.gz OUDIDCBRHRBBHP-ATZCPNFKSA-N 2 0 233.306 0.843 20 0 BCADRP [NH3+][C@H](CNC[C@@H]1CCCC[NH2+]1)CC(F)F ZINC000903918286 584827038 /nfs/dbraw/zinc/82/70/38/584827038.db2.gz WGOZPLNWOYAYME-IUCAKERBSA-N 2 0 221.295 0.701 20 0 BCADRP C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)C[C@H]1[NH3+] ZINC000903916265 584827118 /nfs/dbraw/zinc/82/71/18/584827118.db2.gz GEWVFWALWHXTEX-BWZBUEFSSA-N 2 0 207.268 0.248 20 0 BCADRP FC1(F)CC[NH2+]C[C@@H]1CN[C@@H]1CC[NH2+]C1 ZINC000903956966 584827646 /nfs/dbraw/zinc/82/76/46/584827646.db2.gz OBLUIACKABWQBY-RKDXNWHRSA-N 2 0 219.279 0.183 20 0 BCADRP [NH3+]CC1(CNC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903957662 584827868 /nfs/dbraw/zinc/82/78/68/584827868.db2.gz SETBJDOUUAMRJW-SECBINFHSA-N 2 0 233.306 0.560 20 0 BCADRP [NH3+]Cc1nc2c(s1)CCN([C@@H]1CC[NH2+]C1)C2 ZINC000903945057 584829796 /nfs/dbraw/zinc/82/97/96/584829796.db2.gz PNTLNAOZYOAFIU-MRVPVSSYSA-N 2 0 238.360 0.322 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(N)nc1 ZINC000903973343 584832478 /nfs/dbraw/zinc/83/24/78/584832478.db2.gz ABFZWPLMAVFYNC-ZYHUDNBSSA-N 2 0 234.347 0.999 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]CC1CC[NH2+]CC1 ZINC000903973866 584832511 /nfs/dbraw/zinc/83/25/11/584832511.db2.gz HJIDPZRTIIIYRA-DGCLKSJQSA-N 3 0 225.380 0.821 20 0 BCADRP CC(C)([NH3+])CN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903983287 584833184 /nfs/dbraw/zinc/83/31/84/584833184.db2.gz DXHQJWIMSUQMEL-JGVFFNPUSA-N 2 0 239.285 0.935 20 0 BCADRP C[C@@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000903964715 584834117 /nfs/dbraw/zinc/83/41/17/584834117.db2.gz UIRGJRRLVYESOA-NOOOWODRSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CNC1CC[NH+](C)CC1 ZINC000903967343 584835088 /nfs/dbraw/zinc/83/50/88/584835088.db2.gz HTSIGDRIPHVHML-MNOVXSKESA-N 2 0 211.353 0.526 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000903968519 584835181 /nfs/dbraw/zinc/83/51/81/584835181.db2.gz XFPPPSCONUYFLL-IKOXMDCHSA-N 3 0 237.391 0.820 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000903968455 584835199 /nfs/dbraw/zinc/83/51/99/584835199.db2.gz WORPOFPUHXEVOD-WOPDTQHZSA-N 2 0 211.353 0.574 20 0 BCADRP CC[N@H+](CCC(N)=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903987987 584836057 /nfs/dbraw/zinc/83/60/57/584836057.db2.gz LXPDGMFWSYZGDS-YOGCLGLASA-N 2 0 239.363 0.714 20 0 BCADRP CCCN(C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000904299380 584860196 /nfs/dbraw/zinc/86/01/96/584860196.db2.gz CBMYCCAWAMGPNY-TUAOUCFPSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@]1(C[N@@H+]2CC[C@@H](CO)C2)CCC[NH2+]C1 ZINC000904315879 584860208 /nfs/dbraw/zinc/86/02/08/584860208.db2.gz GAUVBINWOMSRLY-VXGBXAGGSA-N 2 0 212.337 0.690 20 0 BCADRP [NH3+]Cc1ccc(CN2CC[C@@H]([NH3+])C2)cc1 ZINC000904298711 584860241 /nfs/dbraw/zinc/86/02/41/584860241.db2.gz YFWMJXAREKNWDA-GFCCVEGCSA-N 2 0 205.305 0.678 20 0 BCADRP CCCN(C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000904299377 584860393 /nfs/dbraw/zinc/86/03/93/584860393.db2.gz CBMYCCAWAMGPNY-GRYCIOLGSA-N 2 0 211.353 0.798 20 0 BCADRP C[NH2+]CC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904300081 584860514 /nfs/dbraw/zinc/86/05/14/584860514.db2.gz VRWMGQPEQUBIIU-TXEJJXNPSA-N 3 0 211.353 0.655 20 0 BCADRP C[NH2+]CC1CC[NH+](Cc2ccc(N)nn2)CC1 ZINC000904299477 584860564 /nfs/dbraw/zinc/86/05/64/584860564.db2.gz FMPINCILJKRZRZ-UHFFFAOYSA-N 2 0 235.335 0.490 20 0 BCADRP CC[N@@H+](CC(=O)OC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904316186 584860584 /nfs/dbraw/zinc/86/05/84/584860584.db2.gz LRZUIHYMIQIKBM-DTORHVGOSA-N 2 0 200.282 0.219 20 0 BCADRP C[C@@H]1CN(C[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000904299428 584860812 /nfs/dbraw/zinc/86/08/12/584860812.db2.gz DDRYOXNYJPTJSW-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP [NH3+]Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000904299805 584860936 /nfs/dbraw/zinc/86/09/36/584860936.db2.gz OSMUJEZOCOFWHM-ZDUSSCGKSA-N 3 0 219.332 0.926 20 0 BCADRP C[C@@]1(C[N@@H+]2CCC[C@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904301535 584861337 /nfs/dbraw/zinc/86/13/37/584861337.db2.gz NCNOCUAILXARII-WCQYABFASA-N 2 0 239.363 0.573 20 0 BCADRP C[N@H+](CCC[NH3+])Cc1ccc(C[NH3+])cc1 ZINC000904301337 584861591 /nfs/dbraw/zinc/86/15/91/584861591.db2.gz KOIJKWASGYFBKI-UHFFFAOYSA-N 3 0 207.321 0.926 20 0 BCADRP C[C@@]1(C[N@@H+]2CCC[C@H](O)C2)CCC[NH2+]C1 ZINC000904301604 584861605 /nfs/dbraw/zinc/86/16/05/584861605.db2.gz JSGZIJNRGWAOGW-NWDGAFQWSA-N 2 0 212.337 0.833 20 0 BCADRP CC(C)NC(=O)CN(C)C[C@]1(C)CCC[NH2+]C1 ZINC000904304147 584861661 /nfs/dbraw/zinc/86/16/61/584861661.db2.gz SNXPVMIXHYBTMK-CYBMUJFWSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+]CC1CC[NH+](Cc2ccc(N)nn2)CC1 ZINC000904302853 584861762 /nfs/dbraw/zinc/86/17/62/584861762.db2.gz ZRUFHXZKVOHTMD-UHFFFAOYSA-N 2 0 249.362 0.880 20 0 BCADRP CN(CC(=O)N(C)C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904304317 584862202 /nfs/dbraw/zinc/86/22/02/584862202.db2.gz YQNQPOUMFKSODW-LBPRGKRZSA-N 2 0 227.352 0.396 20 0 BCADRP COC(=O)[C@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904305670 584862314 /nfs/dbraw/zinc/86/23/14/584862314.db2.gz SJXWJXQEJNINIL-OUAUKWLOSA-N 2 0 226.320 0.751 20 0 BCADRP NC(=O)CC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904310007 584862532 /nfs/dbraw/zinc/86/25/32/584862532.db2.gz UUPRFDYOVDKXBU-PHIMTYICSA-N 2 0 225.336 0.311 20 0 BCADRP COC(=O)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904312057 584862561 /nfs/dbraw/zinc/86/25/61/584862561.db2.gz FGZDNYIWFHTSEW-AOOOYVTPSA-N 2 0 227.308 0.108 20 0 BCADRP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309204 584862739 /nfs/dbraw/zinc/86/27/39/584862739.db2.gz CSSFGVJXJMBWKS-XWLWVQCSSA-N 2 0 225.336 0.310 20 0 BCADRP COC(=O)[C@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904310210 584863039 /nfs/dbraw/zinc/86/30/39/584863039.db2.gz YBLZQTHEZPYIFW-AAEUAGOBSA-N 2 0 240.347 0.871 20 0 BCADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCCNC1=O ZINC000904313122 584863246 /nfs/dbraw/zinc/86/32/46/584863246.db2.gz CWDDGLWDILWQMV-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP NC(=O)CC[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314383 584863723 /nfs/dbraw/zinc/86/37/23/584863723.db2.gz VRTRFBVCUSSDQS-UTUOFQBUSA-N 2 0 239.363 0.701 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](OCCO)C2)C1 ZINC000904318726 584863940 /nfs/dbraw/zinc/86/39/40/584863940.db2.gz UPGNSKQLHWBGFG-TUAOUCFPSA-N 2 0 228.336 0.197 20 0 BCADRP C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321662 584865009 /nfs/dbraw/zinc/86/50/09/584865009.db2.gz BBKZXQOFSJCEKH-XWLWVQCSSA-N 2 0 248.392 0.477 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCS[C@H]3COCC[C@H]32)C1 ZINC000904326914 584865475 /nfs/dbraw/zinc/86/54/75/584865475.db2.gz SYYXTYUCMHYNBU-KXNHARMFSA-N 2 0 242.388 0.930 20 0 BCADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904326661 584865503 /nfs/dbraw/zinc/86/55/03/584865503.db2.gz PQKIPJZXFHFDSB-UPJWGTAASA-N 3 0 225.380 0.997 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(Cn3ccnn3)CC2)C1 ZINC000904328043 584865539 /nfs/dbraw/zinc/86/55/39/584865539.db2.gz LTIYRTALTWDXBX-BETUJISGSA-N 2 0 249.362 0.727 20 0 BCADRP CCCCC[N@@H+](CC(N)=O)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904332904 584865926 /nfs/dbraw/zinc/86/59/26/584865926.db2.gz TVYCEAAZTRGKCK-PHIMTYICSA-N 2 0 227.352 0.701 20 0 BCADRP CC[C@](C)(CCO)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904328821 584865984 /nfs/dbraw/zinc/86/59/84/584865984.db2.gz HYLNOWWPWJNVCH-OUAUKWLOSA-N 2 0 200.326 0.864 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCC3(C2)OCCO3)C1 ZINC000904328990 584866256 /nfs/dbraw/zinc/86/62/56/584866256.db2.gz JXZGCZOBASNOOO-PHIMTYICSA-N 2 0 226.320 0.563 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904333838 584866494 /nfs/dbraw/zinc/86/64/94/584866494.db2.gz HQKDBOPPRBIGQR-SDDRHHMPSA-N 3 0 211.353 0.785 20 0 BCADRP CC(C)[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCN1 ZINC000904334053 584866598 /nfs/dbraw/zinc/86/65/98/584866598.db2.gz KKDUDVQMIAXIJJ-GRYCIOLGSA-N 2 0 211.353 0.654 20 0 BCADRP CC1(C)C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1O ZINC000904340862 584867015 /nfs/dbraw/zinc/86/70/15/584867015.db2.gz MIIOTZYGVQKLJV-AXFHLTTASA-N 2 0 212.337 0.817 20 0 BCADRP C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904342074 584867173 /nfs/dbraw/zinc/86/71/73/584867173.db2.gz WOJCJDMHXRTGFZ-WHOHXGKFSA-N 2 0 211.353 0.748 20 0 BCADRP C[C@]1(C(N)=O)CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904342681 584867291 /nfs/dbraw/zinc/86/72/91/584867291.db2.gz NGDNTCAFRDOVRG-OLZOCXBDSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@@]1(C(N)=O)CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904342682 584867332 /nfs/dbraw/zinc/86/73/32/584867332.db2.gz NGDNTCAFRDOVRG-QWHCGFSZSA-N 2 0 239.363 0.573 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCOCC3(CC3)C2)C1 ZINC000904345668 584868106 /nfs/dbraw/zinc/86/81/06/584868106.db2.gz IKVNZRUAHVKQHE-PHIMTYICSA-N 2 0 210.321 0.836 20 0 BCADRP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904347951 584868114 /nfs/dbraw/zinc/86/81/14/584868114.db2.gz LBGOBSJRFYWESM-ZIQFBCGOSA-N 2 0 237.347 0.310 20 0 BCADRP C[C@]1(CN2CC[C@@H]3C[NH2+]C[C@@H]32)CCC[NH2+]C1 ZINC000904349537 584868982 /nfs/dbraw/zinc/86/89/82/584868982.db2.gz ACDBVHFGDXOOKC-AGIUHOORSA-N 2 0 223.364 0.670 20 0 BCADRP CCC([NH3+])(CC)C[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904350062 584869144 /nfs/dbraw/zinc/86/91/44/584869144.db2.gz GRQNYUJGPGDBDC-UHFFFAOYSA-N 3 0 242.411 0.517 20 0 BCADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350099 584869159 /nfs/dbraw/zinc/86/91/59/584869159.db2.gz HXSXBJBWRYIDKB-TUAOUCFPSA-N 3 0 211.353 0.927 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1C ZINC000904348987 584869181 /nfs/dbraw/zinc/86/91/81/584869181.db2.gz ZAENWBXPOGCCBU-CHWFTXMASA-N 2 0 226.320 0.607 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC3(CC[NH2+]C3)CC2)C1 ZINC000904349895 584869193 /nfs/dbraw/zinc/86/91/93/584869193.db2.gz FKYQNXNJVYGIEF-TXEJJXNPSA-N 3 0 223.364 0.799 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904351004 584869300 /nfs/dbraw/zinc/86/93/00/584869300.db2.gz TXOBWDKPSWJLQD-MMWGEVLESA-N 2 0 215.316 0.356 20 0 BCADRP C[NH2+]CCCNCc1nccn1C1CC1 ZINC000904353223 584869924 /nfs/dbraw/zinc/86/99/24/584869924.db2.gz JFPPKHYCYAGQDM-UHFFFAOYSA-N 2 0 208.309 0.917 20 0 BCADRP CC[NH2+]CCNCc1ccc(C[NH3+])cc1 ZINC000904352842 584869959 /nfs/dbraw/zinc/86/99/59/584869959.db2.gz DGDXPQPPOSBKBI-UHFFFAOYSA-N 3 0 207.321 0.844 20 0 BCADRP C[C@]1(C[NH2+]CC[C@H]2CC[NH2+]C2)CCC[NH2+]C1 ZINC000904353855 584870362 /nfs/dbraw/zinc/87/03/62/584870362.db2.gz SVNPWKRQDWNQJC-OLZOCXBDSA-N 3 0 225.380 0.965 20 0 BCADRP [NH3+]CC1CC([NH2+]CCC[C@@H]2CCC[NH2+]2)C1 ZINC000904354371 584870482 /nfs/dbraw/zinc/87/04/82/584870482.db2.gz GVOANPAWVVQYBN-CXQJBGSLSA-N 3 0 211.353 0.846 20 0 BCADRP C[C@]1(C[NH2+]C2CC(C[NH3+])C2)CCC[NH2+]C1 ZINC000904355002 584870702 /nfs/dbraw/zinc/87/07/02/584870702.db2.gz JMCRESOHUTZIFE-MCIGGMRASA-N 3 0 211.353 0.703 20 0 BCADRP C[C@]1(CNC[C@@H]2C[C@H](F)C[NH2+]2)CCC[NH2+]C1 ZINC000904355282 584870728 /nfs/dbraw/zinc/87/07/28/584870728.db2.gz PJYUIGZRUGDPHH-SRVKXCTJSA-N 2 0 229.343 0.666 20 0 BCADRP [NH3+]Cc1ccc(CNC[C@H]([NH3+])C2CC2)cc1 ZINC000904355154 584870733 /nfs/dbraw/zinc/87/07/33/584870733.db2.gz KHPKHRIMNMLSLV-ZDUSSCGKSA-N 2 0 219.332 0.972 20 0 BCADRP C[C@]1(CN[C@H](CC[NH3+])C(F)F)CCC[NH2+]C1 ZINC000904355116 584870934 /nfs/dbraw/zinc/87/09/34/584870934.db2.gz NVAALVUKBUTKTP-KOLCDFICSA-N 2 0 235.322 0.948 20 0 BCADRP C[C@]1(CNC[C@@H]([NH3+])C2CC2)CCC[NH2+]C1 ZINC000904355725 584871220 /nfs/dbraw/zinc/87/12/20/584871220.db2.gz QWVHZJICDOGQCB-NEPJUHHUSA-N 2 0 211.353 0.703 20 0 BCADRP CC[C@@H]([NH3+])CNCc1ccc(C[NH3+])cc1 ZINC000904355598 584871451 /nfs/dbraw/zinc/87/14/51/584871451.db2.gz UOUCTZDQDBEIKR-GFCCVEGCSA-N 2 0 207.321 0.972 20 0 BCADRP C[C@]1(CNC[C@H]2C[NH2+]CCCO2)CCC[NH2+]C1 ZINC000904357721 584871976 /nfs/dbraw/zinc/87/19/76/584871976.db2.gz ANMRJVWTGUFTHO-OLZOCXBDSA-N 2 0 241.379 0.344 20 0 BCADRP CNC(=O)c1cccc(C[NH2+]C2CC(C[NH3+])C2)c1 ZINC000904360851 584872115 /nfs/dbraw/zinc/87/21/15/584872115.db2.gz QFLPARLGYXFECH-UHFFFAOYSA-N 2 0 247.342 0.873 20 0 BCADRP C[C@]1(CN2CCCO[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904371508 584873171 /nfs/dbraw/zinc/87/31/71/584873171.db2.gz OULDXDUMGWBQOO-STQMWFEESA-N 2 0 241.379 0.426 20 0 BCADRP CN(CC[NH3+])Cc1ccc(N2CC[NH2+]CC2)o1 ZINC000904371335 584873256 /nfs/dbraw/zinc/87/32/56/584873256.db2.gz MSSZYFLCXVOVKA-UHFFFAOYSA-N 2 0 238.335 0.080 20 0 BCADRP [NH3+]Cc1ccc(C[NH2+]C[C@@H]2CNCCO2)cc1 ZINC000904371682 584873485 /nfs/dbraw/zinc/87/34/85/584873485.db2.gz QYKLLMGGYWXUJM-ZDUSSCGKSA-N 2 0 235.331 0.223 20 0 BCADRP CC1(C)CN(CC[NH2+]C2CC(C[NH3+])C2)CCO1 ZINC000904363726 584874177 /nfs/dbraw/zinc/87/41/77/584874177.db2.gz BLOLSILGBRYOSW-UHFFFAOYSA-N 2 0 241.379 0.424 20 0 BCADRP [NH3+]CCN1CCC([NH2+]CC2CCOCC2)CC1 ZINC000904366125 584874663 /nfs/dbraw/zinc/87/46/63/584874663.db2.gz FQHVERGZGCXERR-UHFFFAOYSA-N 2 0 241.379 0.426 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CNC[C@@]1(C)CCC[NH2+]C1 ZINC000904388684 584874840 /nfs/dbraw/zinc/87/48/40/584874840.db2.gz NDAZZODVDPOBDA-AGIUHOORSA-N 2 0 225.380 0.821 20 0 BCADRP CC(C)([NH3+])CN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000904391520 584875223 /nfs/dbraw/zinc/87/52/23/584875223.db2.gz HUBCSMKTBNPRMV-LLVKDONJSA-N 2 0 241.379 0.554 20 0 BCADRP [NH3+]CCN1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000904376212 584875963 /nfs/dbraw/zinc/87/59/63/584875963.db2.gz MOTHKOOFUFRBPY-UHFFFAOYSA-N 3 0 240.395 0.128 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCc3nccnc3C2)C1 ZINC000904378551 584876079 /nfs/dbraw/zinc/87/60/79/584876079.db2.gz FTOOLQWZDJLAFH-AOOOYVTPSA-N 2 0 218.304 0.572 20 0 BCADRP CCN(CC[NH3+])Cc1ccc(C[NH3+])cc1 ZINC000904380898 584876647 /nfs/dbraw/zinc/87/66/47/584876647.db2.gz PIUSAQMUOGPVSD-UHFFFAOYSA-N 2 0 207.321 0.926 20 0 BCADRP N[C@H]1CCCCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904380494 584876676 /nfs/dbraw/zinc/87/66/76/584876676.db2.gz CWXIGFJZCPHFES-SDDRHHMPSA-N 2 0 211.353 0.927 20 0 BCADRP C[C@H]([NH3+])CN(C)Cc1ccc(C[NH3+])cc1 ZINC000904381738 584877086 /nfs/dbraw/zinc/87/70/86/584877086.db2.gz STQUZKRXSMDVSH-JTQLQIEISA-N 2 0 207.321 0.924 20 0 BCADRP C[C@H]([NH2+]C1CC(C[NH3+])C1)c1ccnn1C ZINC000904384028 584877306 /nfs/dbraw/zinc/87/73/06/584877306.db2.gz GNVPSMCBSQVPDR-IDKOKCKLSA-N 2 0 208.309 0.808 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)C1 ZINC000904381881 584877340 /nfs/dbraw/zinc/87/73/40/584877340.db2.gz WVVJDKQSPBTMFB-WUHRBBMRSA-N 2 0 224.348 0.818 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CC(C[NH3+])C1 ZINC000904388154 584877943 /nfs/dbraw/zinc/87/79/43/584877943.db2.gz FGBNKHBPKJHAGI-QTAHKJALSA-N 3 0 211.353 0.559 20 0 BCADRP c1cc(CN2CC[NH2+]CC[NH2+]CC2)cs1 ZINC000904399000 584878579 /nfs/dbraw/zinc/87/85/79/584878579.db2.gz WAWMTHVZHDICLL-UHFFFAOYSA-N 2 0 225.361 0.743 20 0 BCADRP C[C@H]1C[N@H+](CC2(C[NH3+])CC2)CC[C@@H]1C[NH3+] ZINC000904410586 584879235 /nfs/dbraw/zinc/87/92/35/584879235.db2.gz PAXIPLQQJDAOOW-WDEREUQCSA-N 3 0 211.353 0.642 20 0 BCADRP C[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)CC[C@H]1C[NH3+] ZINC000904411312 584879709 /nfs/dbraw/zinc/87/97/09/584879709.db2.gz UKCLOKJQJZMKRN-UTLUCORTSA-N 2 0 235.322 0.886 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420498 584881987 /nfs/dbraw/zinc/88/19/87/584881987.db2.gz QTIDBFSRZVGTPU-AEJSXWLSSA-N 2 0 233.306 0.510 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@H]1C[NH3+] ZINC000904419412 584882079 /nfs/dbraw/zinc/88/20/79/584882079.db2.gz VDRZOBBTUJSSRH-FVCCEPFGSA-N 3 0 225.380 0.901 20 0 BCADRP C[C@]1(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCC[NH2+]C1 ZINC000904420211 584882296 /nfs/dbraw/zinc/88/22/96/584882296.db2.gz GSRBURJZWXSSRT-MJBXVCDLSA-N 2 0 237.391 0.917 20 0 BCADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N[C@H]1CC[NH2+]C1 ZINC000876511039 584885464 /nfs/dbraw/zinc/88/54/64/584885464.db2.gz UJNVQDZWNXSLRR-SEUFLZDSSA-N 2 0 223.320 0.020 20 0 BCADRP C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000876515937 584885654 /nfs/dbraw/zinc/88/56/54/584885654.db2.gz GVVDUABVUDPENU-WZRBSPASSA-N 2 0 239.363 0.633 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000876507982 584885716 /nfs/dbraw/zinc/88/57/16/584885716.db2.gz RBEUYYUQGPTIEP-WDEREUQCSA-N 2 0 239.363 0.476 20 0 BCADRP CN(C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)[C@H]1CC[NH2+]C1 ZINC000876527573 584885794 /nfs/dbraw/zinc/88/57/94/584885794.db2.gz AWPJEWWCWSWBMM-GUBZILKMSA-N 2 0 225.336 0.180 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876530035 584885833 /nfs/dbraw/zinc/88/58/33/584885833.db2.gz JDTSFHBOKHQZQE-VHSXEESVSA-N 2 0 245.342 0.568 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC[C@@H]1[NH3+] ZINC000876533584 584885957 /nfs/dbraw/zinc/88/59/57/584885957.db2.gz UAOJOOKHGBGYAX-XGEHTFHBSA-N 2 0 247.289 0.022 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000876538808 584886095 /nfs/dbraw/zinc/88/60/95/584886095.db2.gz OGGCAQLCSDSEBD-NUNSBDKSSA-N 2 0 225.336 0.252 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876707145 584886894 /nfs/dbraw/zinc/88/68/94/584886894.db2.gz UQTDWTOSQGISNJ-MNOVXSKESA-N 2 0 245.342 0.392 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876790845 584887324 /nfs/dbraw/zinc/88/73/24/584887324.db2.gz ZYWWGKBZEARKKO-KBIXYVOKSA-N 2 0 237.347 0.363 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876831780 584887510 /nfs/dbraw/zinc/88/75/10/584887510.db2.gz KATLHFNFMJPNSF-WHOHXGKFSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000876924692 584887985 /nfs/dbraw/zinc/88/79/85/584887985.db2.gz QDCQJHCWXFVOPG-DGCLKSJQSA-N 2 0 235.331 0.388 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000876952977 584888206 /nfs/dbraw/zinc/88/82/06/584888206.db2.gz XUFIPKRFDSCVKL-QCNOEVLYSA-N 2 0 239.363 0.842 20 0 BCADRP CC1(C)[C@H](C(=O)NCC2([NH3+])CCCC2)C[C@@H]1[NH3+] ZINC000876964051 584888316 /nfs/dbraw/zinc/88/83/16/584888316.db2.gz QKDDTCXOTAFOQZ-UWVGGRQHSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)C[NH2+]1 ZINC000877051175 584889013 /nfs/dbraw/zinc/88/90/13/584889013.db2.gz KBVNTOSZUAXKHF-GARJFASQSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000877105617 584890081 /nfs/dbraw/zinc/89/00/81/584890081.db2.gz QFUIAANFUQNSTC-LSJOCFKGSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000877108785 584890328 /nfs/dbraw/zinc/89/03/28/584890328.db2.gz WUFRTWNPQAORQJ-PZIAFJOJSA-N 2 0 225.336 0.348 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC[C@H](C)[NH3+] ZINC000884022344 584898301 /nfs/dbraw/zinc/89/83/01/584898301.db2.gz FKHDDXSWSFCNIW-VHSXEESVSA-N 2 0 229.368 0.849 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cccc(C[NH3+])c1 ZINC000834822741 584914867 /nfs/dbraw/zinc/91/48/67/584914867.db2.gz YYPUOUDLXQFVQR-RKDXNWHRSA-N 2 0 221.304 0.611 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC2(C)C)CC[C@@H]1[NH3+] ZINC000884033526 584937665 /nfs/dbraw/zinc/93/76/65/584937665.db2.gz OVIYIKAHFNHJFK-VWYCJHECSA-N 2 0 239.363 0.428 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884043374 584940301 /nfs/dbraw/zinc/94/03/01/584940301.db2.gz UUGWBTIOBPXFGB-GHMZBOCLSA-N 2 0 227.352 0.748 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000733367597 584947337 /nfs/dbraw/zinc/94/73/37/584947337.db2.gz GEVOKCJGCJXKCJ-RYUDHWBXSA-N 2 0 239.363 0.348 20 0 BCADRP CN(C(=O)[C@@H]1C[NH2+]CC1(C)C)[C@@H](C[NH3+])C1CC1 ZINC000884338361 584950576 /nfs/dbraw/zinc/95/05/76/584950576.db2.gz FXXKBBXOTIELDT-QWRGUYRKSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884359286 584951370 /nfs/dbraw/zinc/95/13/70/584951370.db2.gz HBVKBUWXDKBMOQ-HGNGGELXSA-N 2 0 225.336 0.369 20 0 BCADRP C[C@H](O)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000760833090 585398885 /nfs/dbraw/zinc/39/88/85/585398885.db2.gz YWWQSMCDNYCCOK-ZDUSSCGKSA-N 2 0 241.379 0.081 20 0 BCADRP C[NH+](C)C[C@H]1CCN(CC[NH+]2CCCC2)C1 ZINC000760841331 585398957 /nfs/dbraw/zinc/39/89/57/585398957.db2.gz UWSALYTWGKSPCG-CYBMUJFWSA-N 2 0 225.380 0.966 20 0 BCADRP CCN(CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NC ZINC000760847339 585399861 /nfs/dbraw/zinc/39/98/61/585399861.db2.gz ODZIQWXGQKRFDV-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@H](CCO)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000770000345 585569093 /nfs/dbraw/zinc/56/90/93/585569093.db2.gz CODHEIXYDLDLLS-CHWSQXEVSA-N 2 0 243.395 0.373 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(Cn2cnnc2)C1 ZINC000776760092 585704608 /nfs/dbraw/zinc/70/46/08/585704608.db2.gz JPLKTACTXIMJMM-GFCCVEGCSA-N 2 0 237.351 0.899 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(Cn2cnnc2)C1 ZINC000776760523 585704761 /nfs/dbraw/zinc/70/47/61/585704761.db2.gz SDCKMSPJLGDRQV-NSHDSACASA-N 2 0 223.324 0.509 20 0 BCADRP c1cc(N2CCN(CC3OCCO3)CC2)cc[nH+]1 ZINC000777600498 585716699 /nfs/dbraw/zinc/71/66/99/585716699.db2.gz ROPKMFNFFTUKRD-UHFFFAOYSA-N 2 0 249.314 0.577 20 0 BCADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCO)C1 ZINC000779339868 585751425 /nfs/dbraw/zinc/75/14/25/585751425.db2.gz GFYUGOIOJQFNEO-GHMZBOCLSA-N 2 0 200.326 0.689 20 0 BCADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)CCO)CC1 ZINC000779407117 585753808 /nfs/dbraw/zinc/75/38/08/585753808.db2.gz RTNCCEHJDCEKTD-GFCCVEGCSA-N 2 0 244.379 0.582 20 0 BCADRP C[N@H+]1C[C@H]2[C@@H](CCN2CC[NH+]2CCCC2)C1 ZINC000794953054 586056976 /nfs/dbraw/zinc/05/69/76/586056976.db2.gz HSKRMKASHJPYOJ-STQMWFEESA-N 2 0 223.364 0.718 20 0 BCADRP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000795140553 586069331 /nfs/dbraw/zinc/06/93/31/586069331.db2.gz OVTQZSSHOUOQMN-NEPJUHHUSA-N 2 0 235.331 0.973 20 0 BCADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCO ZINC000795143819 586069524 /nfs/dbraw/zinc/06/95/24/586069524.db2.gz NHDOKTNJPOHJHU-LLVKDONJSA-N 2 0 221.304 0.584 20 0 BCADRP C[S@](=O)CC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000798196430 586140084 /nfs/dbraw/zinc/14/00/84/586140084.db2.gz KEYUMKLDQUCLKT-INIZCTEOSA-N 2 0 241.360 0.968 20 0 BCADRP CC[NH2+]CC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000817860295 586830686 /nfs/dbraw/zinc/83/06/86/586830686.db2.gz FXALXQCKVHAXIG-AXFHLTTASA-N 2 0 227.352 0.428 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CCN1CCC[C@@H]1C ZINC000817912135 586838075 /nfs/dbraw/zinc/83/80/75/586838075.db2.gz FOFUEIBBKCKXMT-QWHCGFSZSA-N 2 0 243.395 0.814 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(C)OCCO1 ZINC000817916033 586839778 /nfs/dbraw/zinc/83/97/78/586839778.db2.gz CMECDNKRWFZRDC-GHMZBOCLSA-N 2 0 228.336 0.727 20 0 BCADRP CN(CCC[NH3+])C(=O)c1cccc(C[NH3+])c1 ZINC000818522555 586897265 /nfs/dbraw/zinc/89/72/65/586897265.db2.gz KRWPTAMNRFICHB-UHFFFAOYSA-N 2 0 221.304 0.566 20 0 BCADRP [NH3+]CCOc1cccc(NC(=O)[C@H]2CC[NH2+]2)c1 ZINC000818543361 586899724 /nfs/dbraw/zinc/89/97/24/586899724.db2.gz RDNUXJHWWYECPN-LLVKDONJSA-N 2 0 235.287 0.325 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH3+])c2)C1 ZINC000818557281 586900805 /nfs/dbraw/zinc/90/08/05/586900805.db2.gz PHHVYZCUKPSIJN-GFCCVEGCSA-N 2 0 233.315 0.579 20 0 BCADRP CC[NH2+]CC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000818613266 586906298 /nfs/dbraw/zinc/90/62/98/586906298.db2.gz LDPHMIAFMSPUQR-LLVKDONJSA-N 2 0 233.315 0.513 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818612883 586906546 /nfs/dbraw/zinc/90/65/46/586906546.db2.gz WXLWQJZOLYPOGJ-LBPRGKRZSA-N 2 0 223.320 0.093 20 0 BCADRP CC[NH2+]CC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000818613267 586906805 /nfs/dbraw/zinc/90/68/05/586906805.db2.gz LDPHMIAFMSPUQR-NSHDSACASA-N 2 0 233.315 0.513 20 0 BCADRP C[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC000821727624 587134951 /nfs/dbraw/zinc/13/49/51/587134951.db2.gz CNRLTIOLCVLWIS-UHFFFAOYSA-N 2 0 237.347 0.460 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)C[NH+]1CCCC1 ZINC000823492907 587227200 /nfs/dbraw/zinc/22/72/00/587227200.db2.gz BPIPKEBEPVIYIT-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000825558989 587325269 /nfs/dbraw/zinc/32/52/69/587325269.db2.gz WGVWWSSSXVJQON-NNYUYHANSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000825558991 587325282 /nfs/dbraw/zinc/32/52/82/587325282.db2.gz WGVWWSSSXVJQON-WRWGMCAJSA-N 2 0 237.347 0.324 20 0 BCADRP CN(CC[S@@](C)=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000827878463 587407049 /nfs/dbraw/zinc/40/70/49/587407049.db2.gz WUXYTDZKRBGIKC-IAQYHMDHSA-N 2 0 232.393 0.639 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000829478884 587499675 /nfs/dbraw/zinc/49/96/75/587499675.db2.gz NDOZNJHVTXVUHT-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP CC1(C)CN(C(=O)Cc2ncc[nH]2)CC[NH2+]1 ZINC000829582730 587504620 /nfs/dbraw/zinc/50/46/20/587504620.db2.gz MSAFTSPZLSPEEU-UHFFFAOYSA-N 2 0 222.292 0.163 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)Cc2ncc[nH]2)C[N@@H+]1C1CC1 ZINC000829864002 587525809 /nfs/dbraw/zinc/52/58/09/587525809.db2.gz UZQGRJGWASYZRT-VHSXEESVSA-N 2 0 248.330 0.694 20 0 BCADRP C[C@@H](CNC(=O)NCCCCCC[NH3+])[NH+](C)C ZINC000831172892 587588853 /nfs/dbraw/zinc/58/88/53/587588853.db2.gz OBQGFSFMTRNWOT-NSHDSACASA-N 2 0 244.383 0.755 20 0 BCADRP [NH3+]CCCCCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000831177712 587589635 /nfs/dbraw/zinc/58/96/35/587589635.db2.gz AOCCJDQSMWTSHK-LLVKDONJSA-N 2 0 242.367 0.542 20 0 BCADRP [NH3+]CCCCCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000831178116 587589835 /nfs/dbraw/zinc/58/98/35/587589835.db2.gz IRBJROIITKJEQZ-NSHDSACASA-N 2 0 242.367 0.557 20 0 BCADRP C[C@H](C[NH3+])NC(=O)NCCCCCC[NH3+] ZINC000831183918 587590230 /nfs/dbraw/zinc/59/02/30/587590230.db2.gz GUOMIVNRGXYVHO-SECBINFHSA-N 2 0 216.329 0.152 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C[C@H]([NH3+])C1CC1)C1CC1 ZINC000831860127 587634892 /nfs/dbraw/zinc/63/48/92/587634892.db2.gz KSIJCMGYEZMJLY-RYUDHWBXSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000831898647 587635767 /nfs/dbraw/zinc/63/57/67/587635767.db2.gz MAVBBPHKEILPQN-JQWIXIFHSA-N 2 0 243.326 0.241 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000831970396 587640034 /nfs/dbraw/zinc/64/00/34/587640034.db2.gz FYXCRZLRRPBKLA-DTWKUNHWSA-N 2 0 249.305 0.569 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000831970317 587640311 /nfs/dbraw/zinc/64/03/11/587640311.db2.gz CHQHUCVAGAHJDB-AAEUAGOBSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000831971047 587640442 /nfs/dbraw/zinc/64/04/42/587640442.db2.gz QFLUEHJTSUPHJX-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]CCCC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831971452 587640570 /nfs/dbraw/zinc/64/05/70/587640570.db2.gz XUSIHDINCLFUPS-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000831970262 587640665 /nfs/dbraw/zinc/64/06/65/587640665.db2.gz BDRQPXUHIKFDKW-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C1CC[NH2+]CC1 ZINC000831971381 587640801 /nfs/dbraw/zinc/64/08/01/587640801.db2.gz WQQSNQJZWAWBIN-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000831970285 587640973 /nfs/dbraw/zinc/64/09/73/587640973.db2.gz BPLTYITZRBQEEI-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP [NH3+]Cc1cccc(C(=O)NC2CC[NH2+]CC2)c1 ZINC000832212391 587650596 /nfs/dbraw/zinc/65/05/96/587650596.db2.gz ALQDCABKJOZASY-UHFFFAOYSA-N 2 0 233.315 0.627 20 0 BCADRP [NH3+]Cc1cccc(C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000832322012 587653992 /nfs/dbraw/zinc/65/39/92/587653992.db2.gz CGULTZHSAUJJLZ-LBPRGKRZSA-N 2 0 233.315 0.627 20 0 BCADRP C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000832497428 587663357 /nfs/dbraw/zinc/66/33/57/587663357.db2.gz DCRUCSFNRMHZTH-MVWJERBFSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)c1cccc(C[NH3+])c1 ZINC000832564706 587667156 /nfs/dbraw/zinc/66/71/56/587667156.db2.gz FQGQISINWDAGOS-VIFPVBQESA-N 2 0 221.304 0.612 20 0 BCADRP [NH3+]CCOc1cccc(NC(=O)CC[NH3+])c1 ZINC000832606439 587669100 /nfs/dbraw/zinc/66/91/00/587669100.db2.gz HHARURKRFOKNBT-UHFFFAOYSA-N 2 0 223.276 0.311 20 0 BCADRP C[C@H]([NH3+])CC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000832606283 587669162 /nfs/dbraw/zinc/66/91/62/587669162.db2.gz DTBSLJILMJILHK-VIFPVBQESA-N 2 0 237.303 0.700 20 0 BCADRP C[NH2+]CC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000832607232 587669256 /nfs/dbraw/zinc/66/92/56/587669256.db2.gz VCUCIDABMZWIAM-UHFFFAOYSA-N 2 0 223.276 0.182 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000832750139 587683756 /nfs/dbraw/zinc/68/37/56/587683756.db2.gz KPJRSHQQOSGWOO-WCQGTBRESA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CCC([NH3+])CC1 ZINC000832828714 587692714 /nfs/dbraw/zinc/69/27/14/587692714.db2.gz KQARZFGZXHPJGE-XKGSQUFQSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000834608824 587760485 /nfs/dbraw/zinc/76/04/85/587760485.db2.gz VCVMEQXYFJDNQP-GXSJLCMTSA-N 2 0 221.304 0.020 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000834608606 587760494 /nfs/dbraw/zinc/76/04/94/587760494.db2.gz DROVDQCEAVFXOM-GZMMTYOYSA-N 2 0 239.294 0.331 20 0 BCADRP C[C@H]1C[C@H](NC(=O)CCCCC[NH3+])CC[NH2+]1 ZINC000834673143 587763461 /nfs/dbraw/zinc/76/34/61/587763461.db2.gz KEFSUWZXDHSSJG-WDEREUQCSA-N 2 0 227.352 0.762 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000834786171 587766920 /nfs/dbraw/zinc/76/69/20/587766920.db2.gz LOCBDDDBPQBYEB-GXSJLCMTSA-N 2 0 231.315 0.322 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000834791380 587767138 /nfs/dbraw/zinc/76/71/38/587767138.db2.gz IOVCYNSFWPUUTN-NSHDSACASA-N 2 0 239.363 0.764 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)CCCCC[NH3+] ZINC000834813557 587767372 /nfs/dbraw/zinc/76/73/72/587767372.db2.gz PZWQPAHHSAEGNX-JTQLQIEISA-N 2 0 215.341 0.749 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)c1cccc(C[NH3+])c1 ZINC000834827196 587767856 /nfs/dbraw/zinc/76/78/56/587767856.db2.gz RSZJURBHRWAWNZ-NSHDSACASA-N 2 0 221.304 0.612 20 0 BCADRP CN(C(=O)CCCCC[NH3+])C1CC([NH3+])C1 ZINC000834835770 587768284 /nfs/dbraw/zinc/76/82/84/587768284.db2.gz XPCFASBCGWACNX-UHFFFAOYSA-N 2 0 213.325 0.454 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000834846204 587768451 /nfs/dbraw/zinc/76/84/51/587768451.db2.gz PDUOUABBIQBCBT-SSDOTTSWSA-N 2 0 235.278 0.227 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000834862710 587768683 /nfs/dbraw/zinc/76/86/83/587768683.db2.gz XAIVDCSLRDIJRM-WDEREUQCSA-N 2 0 227.352 0.749 20 0 BCADRP COCC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000104083733 587933941 /nfs/dbraw/zinc/93/39/41/587933941.db2.gz FNGYXNDYGTXFRR-UHFFFAOYSA-N 2 0 200.326 0.906 20 0 BCADRP C[C@H]1C[C@@H](C[N@@H+]2CCC3(C2)OCCO3)CC[NH2+]1 ZINC000841007557 587934797 /nfs/dbraw/zinc/93/47/97/587934797.db2.gz YWTWXHOFVCYQSZ-RYUDHWBXSA-N 2 0 240.347 0.823 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000841725592 587973383 /nfs/dbraw/zinc/97/33/83/587973383.db2.gz NRFBEEWWZYHMTN-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000841845555 587977164 /nfs/dbraw/zinc/97/71/64/587977164.db2.gz DEPNWUTWBSXBPY-MNOVXSKESA-N 2 0 225.336 0.454 20 0 BCADRP [NH3+][C@H](CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000841848468 587977472 /nfs/dbraw/zinc/97/74/72/587977472.db2.gz NZPVAMLCVKCIQH-VXGBXAGGSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@]1(CNC(=O)C[C@@H]([NH3+])C2CC2)CCC[NH2+]C1 ZINC000841849566 587977616 /nfs/dbraw/zinc/97/76/16/587977616.db2.gz AXTGIDYWXBKQLN-YPMHNXCESA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000841850196 587977671 /nfs/dbraw/zinc/97/76/71/587977671.db2.gz DGJYUQKXBPTMEU-GDPRMGEGSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000841850209 587977626 /nfs/dbraw/zinc/97/76/26/587977626.db2.gz DYUMSMFUCQLLQZ-OIBJUYFYSA-N 2 0 241.722 0.803 20 0 BCADRP CC[NH2+]CC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000841848744 587977642 /nfs/dbraw/zinc/97/76/42/587977642.db2.gz RTFZMMNZLOJPKK-UHFFFAOYSA-N 2 0 233.315 0.880 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000841849153 587977834 /nfs/dbraw/zinc/97/78/34/587977834.db2.gz XQMSJBGMXOHKPL-JTQLQIEISA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000841851788 587978363 /nfs/dbraw/zinc/97/83/63/587978363.db2.gz PKUPZSKWNVDLOO-SDDRHHMPSA-N 2 0 239.363 0.633 20 0 BCADRP CC[NH2+]CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000841855820 587978515 /nfs/dbraw/zinc/97/85/15/587978515.db2.gz ILOZPRWKAFBYJL-MRVPVSSYSA-N 2 0 201.314 0.086 20 0 BCADRP O=C(N1CC[C@@]2(CCC[NH2+]2)C1)[C@]1(F)CC[NH2+]C1 ZINC000842514530 588032157 /nfs/dbraw/zinc/03/21/57/588032157.db2.gz XOEFKZLCVLNZKG-RYUDHWBXSA-N 2 0 241.310 0.043 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)co1 ZINC000842511934 588032179 /nfs/dbraw/zinc/03/21/79/588032179.db2.gz HAGPYUODLIMGAT-ZDUSSCGKSA-N 2 0 249.314 0.706 20 0 BCADRP [NH3+][C@H](CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1)C1CC1 ZINC000842514326 588032298 /nfs/dbraw/zinc/03/22/98/588032298.db2.gz WHOVBWMKFIKUJU-YPMHNXCESA-N 2 0 237.347 0.468 20 0 BCADRP CN(C(=O)c1cccc(C[NH3+])c1)[C@@H](C[NH3+])C1CC1 ZINC000842510956 588032330 /nfs/dbraw/zinc/03/23/30/588032330.db2.gz VOVNWAFNIGDFSH-ZDUSSCGKSA-N 2 0 247.342 0.955 20 0 BCADRP [NH3+][C@H](CC(=O)N1CCC2(CC[NH2+]2)CC1)C1CC1 ZINC000842512507 588032404 /nfs/dbraw/zinc/03/24/04/588032404.db2.gz PJOGLHIGUGCWBC-LLVKDONJSA-N 2 0 237.347 0.468 20 0 BCADRP O=C(N1CCC2(CC[NH2+]2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000842512130 588032508 /nfs/dbraw/zinc/03/25/08/588032508.db2.gz KNTBWNJHSLIRSH-LBPRGKRZSA-N 2 0 241.310 0.043 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@H]1CO[C@H](C)C1 ZINC000842667675 588050708 /nfs/dbraw/zinc/05/07/08/588050708.db2.gz BGFUCUYQTNTLED-VXGBXAGGSA-N 2 0 230.352 0.722 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000842667674 588050944 /nfs/dbraw/zinc/05/09/44/588050944.db2.gz BGFUCUYQTNTLED-RYUDHWBXSA-N 2 0 230.352 0.722 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000843125859 588084531 /nfs/dbraw/zinc/08/45/31/588084531.db2.gz JRILDDPKUQVXDB-GUBZILKMSA-N 2 0 233.306 0.571 20 0 BCADRP CCCOC(=O)[C@@H](C)N1CC[C@@](C)(C[NH3+])C1 ZINC000843381706 588105625 /nfs/dbraw/zinc/10/56/25/588105625.db2.gz GOTMLAUEFSYNQD-PWSUYJOCSA-N 2 0 228.336 0.999 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000843469638 588113115 /nfs/dbraw/zinc/11/31/15/588113115.db2.gz TURFOHNDNJAJON-GARJFASQSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000843479404 588114146 /nfs/dbraw/zinc/11/41/46/588114146.db2.gz SNMZQFVDVTUBFS-MPPDQPJWSA-N 2 0 239.363 0.489 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000843483945 588114396 /nfs/dbraw/zinc/11/43/96/588114396.db2.gz LGORFSYHCOTMDQ-MRVPVSSYSA-N 2 0 249.305 0.617 20 0 BCADRP CC[NH2+]CC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000843498892 588116085 /nfs/dbraw/zinc/11/60/85/588116085.db2.gz VRXNUGQGKIMIBV-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@]1(C(=O)NCCCCCC[NH3+])CC[NH2+]C1 ZINC000843506239 588117219 /nfs/dbraw/zinc/11/72/19/588117219.db2.gz QMRDPDISBAOSQY-LBPRGKRZSA-N 2 0 227.352 0.621 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCCCCCC[NH3+] ZINC000843505699 588117287 /nfs/dbraw/zinc/11/72/87/588117287.db2.gz JBTHXYPFBCOACP-JTQLQIEISA-N 2 0 215.341 0.477 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NCCCCCC[NH3+] ZINC000843505704 588117346 /nfs/dbraw/zinc/11/73/46/588117346.db2.gz JJUBYRGOGBKPCN-JTQLQIEISA-N 2 0 247.408 0.702 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCCCCCC[NH3+] ZINC000843511683 588117828 /nfs/dbraw/zinc/11/78/28/588117828.db2.gz HFKGTIUCGCSGLR-VIFPVBQESA-N 2 0 201.314 0.217 20 0 BCADRP CC1(C(=O)NCCCCCC[NH3+])C[NH2+]C1 ZINC000843511293 588117877 /nfs/dbraw/zinc/11/78/77/588117877.db2.gz KDNPVEGFTUYCQX-UHFFFAOYSA-N 2 0 213.325 0.231 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCCCCCC[NH3+] ZINC000843512826 588118272 /nfs/dbraw/zinc/11/82/72/588118272.db2.gz RGOUZKOXVCWJQX-VHSXEESVSA-N 2 0 215.341 0.605 20 0 BCADRP O=C(CCCC[NH+]1CCCC1)N1CC[NH2+]CC1 ZINC000844162383 588171570 /nfs/dbraw/zinc/17/15/70/588171570.db2.gz NNJJDTCXXVJVKH-UHFFFAOYSA-N 2 0 239.363 0.684 20 0 BCADRP [NH3+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC000844162297 588171580 /nfs/dbraw/zinc/17/15/80/588171580.db2.gz BWGBLJLEVLBZNU-UHFFFAOYSA-N 2 0 227.352 0.718 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000844170809 588171656 /nfs/dbraw/zinc/17/16/56/588171656.db2.gz DHHCTTZPHOKXNB-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000844183050 588171975 /nfs/dbraw/zinc/17/19/75/588171975.db2.gz ONGXFOVZEZVKJO-NSHDSACASA-N 2 0 225.336 0.291 20 0 BCADRP CC[NH2+]CC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000844171462 588172402 /nfs/dbraw/zinc/17/24/02/588172402.db2.gz IQRGKQPUGGPEPU-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP O=C(CCCC[NH+]1CCCC1)NCC1C[NH2+]C1 ZINC000844193314 588172694 /nfs/dbraw/zinc/17/26/94/588172694.db2.gz RIIZUIURWBEZNQ-UHFFFAOYSA-N 2 0 239.363 0.588 20 0 BCADRP CC[NH2+]CC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000844190513 588172814 /nfs/dbraw/zinc/17/28/14/588172814.db2.gz JFHGSKQBXWEJDG-ZJUUUORDSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H](C[NH3+])NC(=O)CCCC[NH+]1CCCC1 ZINC000844193777 588172831 /nfs/dbraw/zinc/17/28/31/588172831.db2.gz MHPRQJYUHXKNCP-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[NH+](C)C ZINC000844196961 588173132 /nfs/dbraw/zinc/17/31/32/588173132.db2.gz GZNAGUJEHHCYSO-JGVFFNPUSA-N 2 0 235.278 0.050 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000846221498 588261311 /nfs/dbraw/zinc/26/13/11/588261311.db2.gz ZGMBGKNHLYDARF-OCCSQVGLSA-N 2 0 249.358 0.841 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000846220477 588261413 /nfs/dbraw/zinc/26/14/13/588261413.db2.gz QIMNGOLBYIBTAG-LBPRGKRZSA-N 2 0 241.379 0.032 20 0 BCADRP [NH3+]CCCCCC[NH+]1CCC(O)(C[NH3+])CC1 ZINC000846223966 588261656 /nfs/dbraw/zinc/26/16/56/588261656.db2.gz QZBVLSAZWOKNQH-UHFFFAOYSA-N 3 0 229.368 0.291 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000846696148 588283464 /nfs/dbraw/zinc/28/34/64/588283464.db2.gz XRZISAZNBAVSGE-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000846743493 588284225 /nfs/dbraw/zinc/28/42/25/588284225.db2.gz ZLUDOCYVFABDNP-WCABBAIRSA-N 2 0 229.299 0.026 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000848395253 588377050 /nfs/dbraw/zinc/37/70/50/588377050.db2.gz ATBCFVMSQLIBJQ-IDKOKCKLSA-N 2 0 213.325 0.323 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000848418526 588382445 /nfs/dbraw/zinc/38/24/45/588382445.db2.gz NBODKLDTGIMIGC-ZYHUDNBSSA-N 2 0 225.336 0.054 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000848429321 588383841 /nfs/dbraw/zinc/38/38/41/588383841.db2.gz PILAWSSRVSJSEI-ZDUSSCGKSA-N 2 0 237.347 0.483 20 0 BCADRP CC[NH2+]CC(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000848432888 588384067 /nfs/dbraw/zinc/38/40/67/588384067.db2.gz VDYDEUOGPNOSLV-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@@H](CCO)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848557298 588397278 /nfs/dbraw/zinc/39/72/78/588397278.db2.gz HCPJEISYWUFLAH-GARJFASQSA-N 2 0 200.326 0.687 20 0 BCADRP Cn1ncc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000848563867 588397706 /nfs/dbraw/zinc/39/77/06/588397706.db2.gz YAHUYVOHJQGXII-JGZJWPJOSA-N 2 0 223.324 0.245 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000848675962 588405004 /nfs/dbraw/zinc/40/50/04/588405004.db2.gz GTRNLSRBWIEIFD-ADEWGFFLSA-N 2 0 212.337 0.687 20 0 BCADRP CC1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)OCCCO1 ZINC000848722141 588408294 /nfs/dbraw/zinc/40/82/94/588408294.db2.gz KDYRCZKJVQBTLD-WDEREUQCSA-N 2 0 228.336 0.999 20 0 BCADRP Cn1ncc(CCC[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000848720090 588408366 /nfs/dbraw/zinc/40/83/66/588408366.db2.gz JIBURTSHDGXDAR-QWRGUYRKSA-N 2 0 237.351 0.607 20 0 BCADRP CNC(=[NH2+])NCC1([NH+](C)C)CCCCC1 ZINC000848981079 588423589 /nfs/dbraw/zinc/42/35/89/588423589.db2.gz HQOYVGWPLHDRIM-UHFFFAOYSA-N 2 0 212.341 0.995 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCC1 ZINC000848980965 588423691 /nfs/dbraw/zinc/42/36/91/588423691.db2.gz NEDUDQMBEIPJNI-JTQLQIEISA-N 2 0 210.325 0.701 20 0 BCADRP CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000848986996 588425585 /nfs/dbraw/zinc/42/55/85/588425585.db2.gz DKZZIGSXPUYKTD-NXEZZACHSA-N 2 0 212.341 0.993 20 0 BCADRP C[C@H](CNC(=[NH2+])N1CCOCC1)[NH+]1CCCC1 ZINC000848986546 588425631 /nfs/dbraw/zinc/42/56/31/588425631.db2.gz DKHLALNICMJSSI-LLVKDONJSA-N 2 0 240.351 0.327 20 0 BCADRP C[C@H]1CCC[N@H+](CCNC2=[NH+]CCCN2C)C1 ZINC000848987765 588425974 /nfs/dbraw/zinc/42/59/74/588425974.db2.gz YTDBMUQIIHWXDG-LBPRGKRZSA-N 2 0 238.379 0.999 20 0 BCADRP C[C@@H]1CCC[N@H+](CCNC2=[NH+]CCCN2C)C1 ZINC000848987764 588425979 /nfs/dbraw/zinc/42/59/79/588425979.db2.gz YTDBMUQIIHWXDG-GFCCVEGCSA-N 2 0 238.379 0.999 20 0 BCADRP CCN1CC[NH+](CCCCNC(=[NH2+])NC)CC1 ZINC000848989840 588426719 /nfs/dbraw/zinc/42/67/19/588426719.db2.gz FOAYXFURBCSOJX-UHFFFAOYSA-N 2 0 241.383 0.148 20 0 BCADRP CCNC(=[NH2+])NCCC[N@H+](C)CCOC ZINC000848993308 588427836 /nfs/dbraw/zinc/42/78/36/588427836.db2.gz XXYYOYUJBWOPNY-UHFFFAOYSA-N 2 0 216.329 0.089 20 0 BCADRP CN1CCC[NH+]=C1NC[C@@H](C1CC1)[NH+](C)C ZINC000848994992 588428704 /nfs/dbraw/zinc/42/87/04/588428704.db2.gz XOQUZCBADVVCBC-NSHDSACASA-N 2 0 224.352 0.608 20 0 BCADRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCC2)C1 ZINC000848997352 588429602 /nfs/dbraw/zinc/42/96/02/588429602.db2.gz BEQJLUJLSPFDSF-LLVKDONJSA-N 2 0 224.352 0.948 20 0 BCADRP CC(C)[N@H+](C)CCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000849001013 588430720 /nfs/dbraw/zinc/43/07/20/588430720.db2.gz OWHFHKSHLXPNGU-NSHDSACASA-N 2 0 242.367 0.572 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=[NH2+])N2CCOCC2)C1 ZINC000849004730 588432133 /nfs/dbraw/zinc/43/21/33/588432133.db2.gz XSMPFQJXAPFFLQ-LLVKDONJSA-N 2 0 240.351 0.185 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)CNC1=[NH+]CCN1C ZINC000849012193 588435415 /nfs/dbraw/zinc/43/54/15/588435415.db2.gz QYQKNXLEWANKHA-NSHDSACASA-N 2 0 242.367 0.234 20 0 BCADRP C[N@H+]1CC=C(CNC(=[NH2+])NC2CCC2)CC1 ZINC000849016708 588437013 /nfs/dbraw/zinc/43/70/13/588437013.db2.gz DQZGHZQPSFQTPT-UHFFFAOYSA-N 2 0 222.336 0.915 20 0 BCADRP C[N@H+]1CC=C(CNC(=[NH2+])N2CCC2)CC1 ZINC000849016800 588437452 /nfs/dbraw/zinc/43/74/52/588437452.db2.gz KQUFYLYIIKAAPG-UHFFFAOYSA-N 2 0 208.309 0.478 20 0 BCADRP CCCNC(=[NH2+])NCCOCC[NH+](CC)CC ZINC000849018467 588438269 /nfs/dbraw/zinc/43/82/69/588438269.db2.gz YZHAFAWTAPJGLQ-UHFFFAOYSA-N 2 0 244.383 0.869 20 0 BCADRP COCCNC(=[NH2+])NCC1([NH+](C)C)CCC1 ZINC000849020572 588438656 /nfs/dbraw/zinc/43/86/56/588438656.db2.gz IOIMFTAZYHBTBL-UHFFFAOYSA-N 2 0 228.340 0.231 20 0 BCADRP CC[C@@H](CO)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000849020704 588438985 /nfs/dbraw/zinc/43/89/85/588438985.db2.gz YAKJIKXLXOKKQW-WDEREUQCSA-N 2 0 242.367 0.356 20 0 BCADRP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)C[NH+](C)C ZINC000849030609 588442888 /nfs/dbraw/zinc/44/28/88/588442888.db2.gz PPDGJXMARSEIFF-QWRGUYRKSA-N 2 0 242.367 0.477 20 0 BCADRP [NH2+]=C(NC[C@@H]1CCC[N@H+]1CCCO)N1CCC1 ZINC000849033887 588443823 /nfs/dbraw/zinc/44/38/23/588443823.db2.gz DGEAGUKKLLHWNR-NSHDSACASA-N 2 0 240.351 0.063 20 0 BCADRP CN1CC[NH+]=C1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849048025 588450517 /nfs/dbraw/zinc/45/05/17/588450517.db2.gz CCFXVSDRVRVOLN-AOOOYVTPSA-N 2 0 210.325 0.218 20 0 BCADRP CC(C)[C@H]1CN(C[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000108356936 588460819 /nfs/dbraw/zinc/46/08/19/588460819.db2.gz DGPXYKOZUWSLQN-NWDGAFQWSA-N 2 0 211.353 0.668 20 0 BCADRP CCN(CCO)CC[NH2+][C@H]1COC2(CCC2)C1 ZINC000850460631 588547894 /nfs/dbraw/zinc/54/78/94/588547894.db2.gz ANAGYEJFNMIBBT-GFCCVEGCSA-N 2 0 242.363 0.602 20 0 BCADRP CC[N@H+](CCNC(=O)N[C@H](C)C[NH2+]C)C(C)C ZINC000851656599 588613259 /nfs/dbraw/zinc/61/32/59/588613259.db2.gz MNXKPLJMVFOJRD-LLVKDONJSA-N 2 0 244.383 0.624 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000851663607 588613798 /nfs/dbraw/zinc/61/37/98/588613798.db2.gz FBJMMYIZWQMCQP-UWVGGRQHSA-N 2 0 242.367 0.506 20 0 BCADRP CN(C(=O)N[C@H]1CC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000851670708 588614373 /nfs/dbraw/zinc/61/43/73/588614373.db2.gz XVWCIMYXQCMLGQ-YVNMAJEFSA-N 2 0 240.351 0.260 20 0 BCADRP CCCN(C)CC(C)(C)[NH2+]C[C@H]1CNC(=O)C1 ZINC000852716064 588697749 /nfs/dbraw/zinc/69/77/49/588697749.db2.gz GYHNYYUZLXRVCN-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP COC(=O)NC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000852762091 588700948 /nfs/dbraw/zinc/70/09/48/588700948.db2.gz YDQJFCNBUMTQJK-JTQLQIEISA-N 2 0 241.335 0.416 20 0 BCADRP CC[NH2+]CCCNC(=O)C=C1CC[NH2+]CC1 ZINC000852792729 588702954 /nfs/dbraw/zinc/70/29/54/588702954.db2.gz ATNOIVPVAVTQJE-UHFFFAOYSA-N 2 0 225.336 0.412 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)NCC[C@H]1CC[NH2+]C1 ZINC000852794608 588703284 /nfs/dbraw/zinc/70/32/84/588703284.db2.gz ANUPITNSFCOUIP-GFCCVEGCSA-N 2 0 237.347 0.412 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000852823235 588705737 /nfs/dbraw/zinc/70/57/37/588705737.db2.gz CVWBHSXDALDEPC-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1[NH2+]CC12CCCC2 ZINC000852825468 588705931 /nfs/dbraw/zinc/70/59/31/588705931.db2.gz KQWOYZPEMVCEIE-NSHDSACASA-N 2 0 239.363 0.634 20 0 BCADRP [NH3+]C1CCN(C(=O)[C@H]2[NH2+]CC23CCCC3)CC1 ZINC000852825488 588706020 /nfs/dbraw/zinc/70/60/20/588706020.db2.gz LCYUGRKJEYSPBQ-LLVKDONJSA-N 2 0 237.347 0.468 20 0 BCADRP CN(C(=O)[C@@H]1[NH2+]CC12CCCC2)[C@H]1CC[NH2+]C1 ZINC000852825924 588706112 /nfs/dbraw/zinc/70/61/12/588706112.db2.gz WUCSNDWNQBHEFS-QWRGUYRKSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2[NH2+]CC23CCCC3)C1 ZINC000852825547 588706115 /nfs/dbraw/zinc/70/61/15/588706115.db2.gz QZVRJCATHMNGBB-NXEZZACHSA-N 2 0 223.320 0.078 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000852832544 588706825 /nfs/dbraw/zinc/70/68/25/588706825.db2.gz NDYGIWVRRIJVFH-SFYZADRCSA-N 2 0 235.278 0.098 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)C=C1CC[NH2+]CC1 ZINC000852861674 588709119 /nfs/dbraw/zinc/70/91/19/588709119.db2.gz GXKCTWDKGUDRBR-LBPRGKRZSA-N 2 0 237.347 0.507 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852874478 588709933 /nfs/dbraw/zinc/70/99/33/588709933.db2.gz MHOWZYQQFKSCSF-ZYHUDNBSSA-N 2 0 237.347 0.492 20 0 BCADRP C[C@@H]1CN(C(=O)C=C2CC[NH2+]CC2)[C@H](C)C[NH2+]1 ZINC000852874791 588710002 /nfs/dbraw/zinc/71/00/02/588710002.db2.gz POTMAVIDLGGILQ-GHMZBOCLSA-N 2 0 237.347 0.505 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)NCC1=CC[NH2+]CC1 ZINC000852876228 588710182 /nfs/dbraw/zinc/71/01/82/588710182.db2.gz GABIOBXEUMDWMC-UHFFFAOYSA-N 2 0 235.331 0.332 20 0 BCADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C=C3CC[NH2+]CC3)C[C@@H]12 ZINC000852875769 588710200 /nfs/dbraw/zinc/71/02/00/588710200.db2.gz PCTCWKULQUCVSD-YNEHKIRRSA-N 2 0 249.358 0.492 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000852879299 588710751 /nfs/dbraw/zinc/71/07/51/588710751.db2.gz USRDUXUXWXKKJK-GFCCVEGCSA-N 2 0 237.347 0.470 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C=C1CC[NH2+]CC1 ZINC000852881776 588711070 /nfs/dbraw/zinc/71/10/70/588711070.db2.gz PQWFIHBMYUMTHS-IUCAKERBSA-N 2 0 211.309 0.148 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)C=C1CC[NH2+]CC1 ZINC000852881609 588711112 /nfs/dbraw/zinc/71/11/12/588711112.db2.gz NTJQZVUDHMFEEL-UHFFFAOYSA-N 2 0 239.363 0.930 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)C=C1CC[NH2+]CC1 ZINC000852882186 588711131 /nfs/dbraw/zinc/71/11/31/588711131.db2.gz ZQNMLWSSQLSJMZ-SNVBAGLBSA-N 2 0 225.336 0.540 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000852909788 588712959 /nfs/dbraw/zinc/71/29/59/588712959.db2.gz ADAPMMWITRUKIX-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)CCCCCC[NH3+] ZINC000852920724 588713423 /nfs/dbraw/zinc/71/34/23/588713423.db2.gz XZLOCGZBWBLYBA-SNVBAGLBSA-N 2 0 215.341 0.620 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C=C1CC[NH2+]CC1 ZINC000852924433 588713610 /nfs/dbraw/zinc/71/36/10/588713610.db2.gz PESYREGVRXIJQC-SECBINFHSA-N 2 0 211.309 0.020 20 0 BCADRP CC[NH+](CC)CCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861547273 589167547 /nfs/dbraw/zinc/16/75/47/589167547.db2.gz RYVKZVCQHIBNAF-JTQLQIEISA-N 2 0 230.356 0.317 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)NC1CCC([NH3+])CC1 ZINC000861639218 589172101 /nfs/dbraw/zinc/17/21/01/589172101.db2.gz BTUXAXMDBRKJDO-IDKOKCKLSA-N 2 0 228.340 0.245 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000861643725 589172557 /nfs/dbraw/zinc/17/25/57/589172557.db2.gz ZDFOMQSKTPZKFX-IVZWLZJFSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000861642589 589172588 /nfs/dbraw/zinc/17/25/88/589172588.db2.gz BPFABNFKCRKBBZ-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP CCN(CC[NH3+])C(=O)NCCCCCC[NH3+] ZINC000861647801 589172821 /nfs/dbraw/zinc/17/28/21/589172821.db2.gz IXRNTPYELMIUIR-UHFFFAOYSA-N 2 0 230.356 0.496 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000861645685 589172945 /nfs/dbraw/zinc/17/29/45/589172945.db2.gz IHMYJKXSKKZGRS-LPEHRKFASA-N 2 0 228.340 0.102 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861645237 589173057 /nfs/dbraw/zinc/17/30/57/589173057.db2.gz ZJYRSMJCBPCXMJ-DTWKUNHWSA-N 2 0 216.329 0.102 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000861651527 589173174 /nfs/dbraw/zinc/17/31/74/589173174.db2.gz VHLOGMJWRAZWDT-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000861653577 589173268 /nfs/dbraw/zinc/17/32/68/589173268.db2.gz CREGMUXPUPVNMP-NXEZZACHSA-N 2 0 240.351 0.117 20 0 BCADRP C[NH2+]CCN(C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861659382 589173603 /nfs/dbraw/zinc/17/36/03/589173603.db2.gz ZJAJWXAHXADFQU-JTQLQIEISA-N 2 0 240.351 0.132 20 0 BCADRP O[C@@H]1CCN(CC[NH2+]C2CC(C(F)F)C2)C1 ZINC000862532168 589218289 /nfs/dbraw/zinc/21/82/89/589218289.db2.gz RRQNAJALLGDVFB-UDNWOFFPSA-N 2 0 234.290 0.686 20 0 BCADRP COC(=O)C1=CC[C@H]([NH2+][C@@H](C)C2C[NH2+]C2)C1 ZINC000863541002 589296639 /nfs/dbraw/zinc/29/66/39/589296639.db2.gz FNZPWGSLWGHBFP-KWQFWETISA-N 2 0 224.304 0.446 20 0 BCADRP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000863541661 589297234 /nfs/dbraw/zinc/29/72/34/589297234.db2.gz LITSGEJDVHVGET-GRYCIOLGSA-N 2 0 238.331 0.965 20 0 BCADRP CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000863545762 589298081 /nfs/dbraw/zinc/29/80/81/589298081.db2.gz BCTFFSSCYADWBA-OPRDCNLKSA-N 2 0 229.324 0.254 20 0 BCADRP CC[C@H](C(=O)N1CC[C@]2(CCC[NH2+]2)C1)[NH+](C)C ZINC000863585850 589302415 /nfs/dbraw/zinc/30/24/15/589302415.db2.gz NHMOUKCJTWXTCK-DGCLKSJQSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000863972757 589331156 /nfs/dbraw/zinc/33/11/56/589331156.db2.gz OXWJRTVJAHZLMM-WYUUTHIRSA-N 2 0 239.363 0.618 20 0 BCADRP O=C(N1CC([NH+]2CCCC2)C1)C12CC[NH+](CC1)C2 ZINC000864068774 589338726 /nfs/dbraw/zinc/33/87/26/589338726.db2.gz UQQNTBSFSKBPLL-UHFFFAOYSA-N 2 0 249.358 0.389 20 0 BCADRP COCC[N@H+](C)CCCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864453715 589366053 /nfs/dbraw/zinc/36/60/53/589366053.db2.gz BCYOBBSABHOTLI-GHMZBOCLSA-N 2 0 242.367 0.477 20 0 BCADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C ZINC000864455449 589366453 /nfs/dbraw/zinc/36/64/53/589366453.db2.gz PYUDIWWGDSEIIV-DVVUODLYSA-N 2 0 224.352 0.849 20 0 BCADRP C[C@H]1C[C@H]1NC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000864455743 589367131 /nfs/dbraw/zinc/36/71/31/589367131.db2.gz BUFNZDZJZUFPJY-GXSJLCMTSA-N 2 0 224.352 0.851 20 0 BCADRP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 ZINC000864457263 589367404 /nfs/dbraw/zinc/36/74/04/589367404.db2.gz CCEUOIDUVOOVTN-GMTAPVOTSA-N 2 0 224.352 0.851 20 0 BCADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000864468070 589372283 /nfs/dbraw/zinc/37/22/83/589372283.db2.gz APIPKWOFEAKIPY-ZNSHCXBVSA-N 2 0 224.352 0.849 20 0 BCADRP C[NH2+]CCC[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000866703672 589513555 /nfs/dbraw/zinc/51/35/55/589513555.db2.gz OAPNEHQAZLVALR-SNVBAGLBSA-N 2 0 200.326 0.689 20 0 BCADRP C[NH2+]CCCN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866704131 589513728 /nfs/dbraw/zinc/51/37/28/589513728.db2.gz QNQNFXKKILPQMQ-NEPJUHHUSA-N 2 0 211.353 0.622 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866704723 589513882 /nfs/dbraw/zinc/51/38/82/589513882.db2.gz XDOAQMJBUJKQSI-GHMZBOCLSA-N 2 0 230.377 0.647 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706443 589514662 /nfs/dbraw/zinc/51/46/62/589514662.db2.gz BSHYSZAXROSKDY-AXFHLTTASA-N 2 0 239.319 0.262 20 0 BCADRP CCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707139 589514706 /nfs/dbraw/zinc/51/47/06/589514706.db2.gz GXKKQJXGGHQYNU-MXWKQRLJSA-N 2 0 239.319 0.263 20 0 BCADRP C(C1CC[NH2+]CC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866720358 589515100 /nfs/dbraw/zinc/51/51/00/589515100.db2.gz JTSAHPIZOZTHPB-QWHCGFSZSA-N 2 0 223.364 0.812 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868007251 589543779 /nfs/dbraw/zinc/54/37/79/589543779.db2.gz JBHBFCTXMGBEPA-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000868005387 589543802 /nfs/dbraw/zinc/54/38/02/589543802.db2.gz NJWVNPVIUDBHDF-NXEZZACHSA-N 2 0 227.352 0.346 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868012794 589544151 /nfs/dbraw/zinc/54/41/51/589544151.db2.gz VLIOHMIKVPQSAP-BDAKNGLRSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@H](NC(=O)CC1([NH3+])CCC1)C1CC[NH2+]CC1 ZINC000868012228 589544193 /nfs/dbraw/zinc/54/41/93/589544193.db2.gz BBSIIAHBUPHJJZ-JTQLQIEISA-N 2 0 239.363 0.762 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000868022491 589544699 /nfs/dbraw/zinc/54/46/99/589544699.db2.gz PZIKRHCNCBMBQR-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000868036190 589545210 /nfs/dbraw/zinc/54/52/10/589545210.db2.gz UXWWMYMXCJTWPX-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1)C1CC1 ZINC000870874138 589693575 /nfs/dbraw/zinc/69/35/75/589693575.db2.gz VCNASCVDFRSMKX-PHIMTYICSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000870892816 589695060 /nfs/dbraw/zinc/69/50/60/589695060.db2.gz MPHLRUYFWIARJI-HBNTYKKESA-N 2 0 227.352 0.522 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870895813 589695235 /nfs/dbraw/zinc/69/52/35/589695235.db2.gz CXVAZJCWVZZZEH-SDDRHHMPSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1CN(C(=O)CC[NH2+]CC2CC2)CC[NH2+]1 ZINC000870912801 589695419 /nfs/dbraw/zinc/69/54/19/589695419.db2.gz MKQFBPVPMBNQNR-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870936352 589696369 /nfs/dbraw/zinc/69/63/69/589696369.db2.gz HJXTVUKMLRXBIZ-GRZMOONWSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC000870913397 589696688 /nfs/dbraw/zinc/69/66/88/589696688.db2.gz UHPGUUYKIUHQBK-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000870912944 589696729 /nfs/dbraw/zinc/69/67/29/589696729.db2.gz NYOCHXMHSMKYOP-SVPLCASGSA-N 2 0 249.358 0.467 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870937588 589696864 /nfs/dbraw/zinc/69/68/64/589696864.db2.gz NKQNOMHUJIGOQL-MGCOHNPYSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@@H](C)C[NH2+]1 ZINC000870912508 589696940 /nfs/dbraw/zinc/69/69/40/589696940.db2.gz GYQLYPYOHXQHKN-OQEOFVATSA-N 2 0 237.347 0.323 20 0 BCADRP C[C@@H](CNC(=O)CCC12CC(C1)C[NH2+]2)[NH+](C)C ZINC000870921119 589697101 /nfs/dbraw/zinc/69/71/01/589697101.db2.gz MPHFORDFMOQNCA-ZBOXLXRLSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000870931614 589697567 /nfs/dbraw/zinc/69/75/67/589697567.db2.gz YIHOWFBUZPMECI-GMTAPVOTSA-N 2 0 225.336 0.454 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870931059 589697696 /nfs/dbraw/zinc/69/76/96/589697696.db2.gz LCSZSIBTNHNPPC-LLVKDONJSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000870932139 589697815 /nfs/dbraw/zinc/69/78/15/589697815.db2.gz ABMLPMQIOKUUOK-DCAQKATOSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870933309 589698060 /nfs/dbraw/zinc/69/80/60/589698060.db2.gz UGBCNFBXLAIDRL-MGCOHNPYSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870933599 589698070 /nfs/dbraw/zinc/69/80/70/589698070.db2.gz QRCYDSHOKQUEPB-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870933187 589698078 /nfs/dbraw/zinc/69/80/78/589698078.db2.gz QRBYAQQDHIAXML-XYPYZODXSA-N 2 0 227.352 0.620 20 0 BCADRP CN(C(=O)CC[NH2+]CC1CC1)C1CC[NH2+]CC1 ZINC000870932825 589698168 /nfs/dbraw/zinc/69/81/68/589698168.db2.gz LEZQMKGUWZQKEZ-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000870933956 589698216 /nfs/dbraw/zinc/69/82/16/589698216.db2.gz BJZUKVYWABBQGW-KXUCPTDWSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000870935670 589698410 /nfs/dbraw/zinc/69/84/10/589698410.db2.gz BBHPGCCUFCCGIK-KXUCPTDWSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000870935672 589698466 /nfs/dbraw/zinc/69/84/66/589698466.db2.gz BBHPGCCUFCCGIK-UTLUCORTSA-N 2 0 213.325 0.310 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870935740 589698608 /nfs/dbraw/zinc/69/86/08/589698608.db2.gz RVCVVJRXDOATHJ-MDZLAQPJSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000870937681 589698777 /nfs/dbraw/zinc/69/87/77/589698777.db2.gz PTKYKUDJCVJVPT-ILOGHGLZSA-N 2 0 249.358 0.467 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000870937279 589698791 /nfs/dbraw/zinc/69/87/91/589698791.db2.gz YKGXWAKKDVVGJX-IVZWLZJFSA-N 2 0 213.325 0.310 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870937084 589698795 /nfs/dbraw/zinc/69/87/95/589698795.db2.gz SXVHJWLXKZALTP-WDCWCFNPSA-N 2 0 225.336 0.213 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)C1CC1 ZINC000870936670 589698898 /nfs/dbraw/zinc/69/88/98/589698898.db2.gz APGXBPDWVCPVNQ-AXFHLTTASA-N 2 0 225.336 0.357 20 0 BCADRP C[C@@H]1CN(C(=O)CC[NH2+]CC2CC2)C[C@@H](C)[NH2+]1 ZINC000870936758 589698916 /nfs/dbraw/zinc/69/89/16/589698916.db2.gz OMSHWBXUXNYFRS-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870937161 589698974 /nfs/dbraw/zinc/69/89/74/589698974.db2.gz VNXAUZLEGPROJL-XZUYRWCXSA-N 2 0 239.363 0.603 20 0 BCADRP CN(C(=O)CCC12CC(C1)C[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000870937211 589698992 /nfs/dbraw/zinc/69/89/92/589698992.db2.gz WKNDZIVTCWTVGO-QWKFWESOSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000870939192 589699108 /nfs/dbraw/zinc/69/91/08/589699108.db2.gz MMVGOKOZRGONTR-YTWAJWBKSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870939582 589699206 /nfs/dbraw/zinc/69/92/06/589699206.db2.gz YOMCERHCKLNGTL-OPRDCNLKSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870941359 589699451 /nfs/dbraw/zinc/69/94/51/589699451.db2.gz WBYHJFBGVAAXID-QCNOEVLYSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000870941605 589699460 /nfs/dbraw/zinc/69/94/60/589699460.db2.gz ZJJVLCZIOSRLSN-WHOHXGKFSA-N 2 0 239.363 0.890 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000870941602 589699753 /nfs/dbraw/zinc/69/97/53/589699753.db2.gz ZJJVLCZIOSRLSN-KKOKHZNYSA-N 2 0 239.363 0.890 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870943055 589699995 /nfs/dbraw/zinc/69/99/95/589699995.db2.gz FGHAVGPOYZAINE-CYBMUJFWSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)C[C@H]1[NH3+] ZINC000870944963 589700059 /nfs/dbraw/zinc/70/00/59/589700059.db2.gz GILJJTDAMWDZPJ-CHWFTXMASA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000870945038 589700224 /nfs/dbraw/zinc/70/02/24/589700224.db2.gz NQVOWTJHDFZQQQ-QCNOEVLYSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870946633 589700485 /nfs/dbraw/zinc/70/04/85/589700485.db2.gz JLUADRIFOONNPC-WYFGTUCQSA-N 2 0 225.336 0.357 20 0 BCADRP O=C(CC[NH2+]CC1CC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000870947844 589700811 /nfs/dbraw/zinc/70/08/11/589700811.db2.gz UBDWXUDRKLFXTP-QWRGUYRKSA-N 2 0 243.326 0.192 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000870955653 589701064 /nfs/dbraw/zinc/70/10/64/589701064.db2.gz VWWUTHDYUJDDCD-PHIMTYICSA-N 2 0 239.363 0.892 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)CC[NH2+]CC1CC1 ZINC000870954867 589701166 /nfs/dbraw/zinc/70/11/66/589701166.db2.gz LDJONDWTXWWBTI-UHFFFAOYSA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000870957595 589701418 /nfs/dbraw/zinc/70/14/18/589701418.db2.gz OWZKUGZORSXWKD-LMLFDSFASA-N 2 0 243.326 0.402 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870956926 589701685 /nfs/dbraw/zinc/70/16/85/589701685.db2.gz PEWIDOAUVHLQMC-XZUYRWCXSA-N 2 0 239.363 0.603 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870967191 589702780 /nfs/dbraw/zinc/70/27/80/589702780.db2.gz LJNDTMSRZVPTSV-AOOOYVTPSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000870972039 589703568 /nfs/dbraw/zinc/70/35/68/589703568.db2.gz OKWAHTUVDOWAJD-HOMQSWHASA-N 2 0 244.298 0.801 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000870972803 589703708 /nfs/dbraw/zinc/70/37/08/589703708.db2.gz VPOWOTUNOOAVON-HKWIRBFKSA-N 2 0 237.347 0.371 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973168 589704043 /nfs/dbraw/zinc/70/40/43/589704043.db2.gz LQJXTGTZYVYOPY-USZNOCQGSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870980760 589704353 /nfs/dbraw/zinc/70/43/53/589704353.db2.gz BOIJITJJODSUFE-YFKTTZPYSA-N 2 0 239.363 0.522 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH3+])CC[C@@H]21 ZINC000870981582 589704447 /nfs/dbraw/zinc/70/44/47/589704447.db2.gz JMNYILXVKBHVBP-NEPJUHHUSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870980847 589704521 /nfs/dbraw/zinc/70/45/21/589704521.db2.gz CZYYWVFPBZAHOE-DCAQKATOSA-N 2 0 225.336 0.276 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH3+])CC[C@@H]21 ZINC000870981052 589704668 /nfs/dbraw/zinc/70/46/68/589704668.db2.gz FMFDSKMOAGJPCI-QWRGUYRKSA-N 2 0 225.336 0.278 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870982664 589705025 /nfs/dbraw/zinc/70/50/25/589705025.db2.gz OITBNNSUGFSMAR-SRVKXCTJSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H](NC(=O)CC[C@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000870984404 589705109 /nfs/dbraw/zinc/70/51/09/589705109.db2.gz RJCBQBRIMTWFSK-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870983066 589705341 /nfs/dbraw/zinc/70/53/41/589705341.db2.gz SIDKKOQXTOFJRI-GARJFASQSA-N 2 0 225.336 0.147 20 0 BCADRP C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000870984003 589705558 /nfs/dbraw/zinc/70/55/58/589705558.db2.gz FXUBGIJWQHVQGW-MNOVXSKESA-N 2 0 239.363 0.490 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870986055 589705731 /nfs/dbraw/zinc/70/57/31/589705731.db2.gz CZIBHQLFONZMNQ-WPRPVWTQSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000870987039 589705979 /nfs/dbraw/zinc/70/59/79/589705979.db2.gz FXUBGIJWQHVQGW-QWRGUYRKSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H](NC(=O)C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000870986037 589706345 /nfs/dbraw/zinc/70/63/45/589706345.db2.gz CMBCBCUAKBQYHT-SNVBAGLBSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H](NC(=O)C[NH2+]CC1CC1)C1CC[NH2+]CC1 ZINC000870987946 589707252 /nfs/dbraw/zinc/70/72/52/589707252.db2.gz WMPPLNNEBUDPQI-JTQLQIEISA-N 2 0 239.363 0.490 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870987949 589707316 /nfs/dbraw/zinc/70/73/16/589707316.db2.gz WNPKXJMIOPPASC-VIFPVBQESA-N 2 0 213.325 0.100 20 0 BCADRP CC(C)([NH3+])C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870993717 589707966 /nfs/dbraw/zinc/70/79/66/589707966.db2.gz KVYMFBDDUGQVSF-ZDUSSCGKSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870991652 589707991 /nfs/dbraw/zinc/70/79/91/589707991.db2.gz FXQDZWDVTIXCES-SKDRFNHKSA-N 2 0 227.352 0.557 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000871005878 589709250 /nfs/dbraw/zinc/70/92/50/589709250.db2.gz IIINHDFFTWJERE-NTZNESFSSA-N 2 0 237.347 0.326 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000123495605 589734286 /nfs/dbraw/zinc/73/42/86/589734286.db2.gz UWQMJFVIEKYPII-LLVKDONJSA-N 2 0 241.379 0.818 20 0 BCADRP COCC1([N@H+](C)CCN2CC[NH2+]CC2)CCC1 ZINC000872156917 589885694 /nfs/dbraw/zinc/88/56/94/589885694.db2.gz DNJPNLLLPMXHPQ-UHFFFAOYSA-N 2 0 241.379 0.393 20 0 BCADRP CC(C)(O)CN1CC[C@H]([NH2+]C[C@H](O)C2CC2)C1 ZINC000872219129 589896001 /nfs/dbraw/zinc/89/60/01/589896001.db2.gz VOEZHEHXYQCMKE-RYUDHWBXSA-N 2 0 242.363 0.192 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000872256514 589901266 /nfs/dbraw/zinc/90/12/66/589901266.db2.gz UNUJRRMQKBBOCK-NWDGAFQWSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872256052 589901530 /nfs/dbraw/zinc/90/15/30/589901530.db2.gz LLNQMEDSSZSCQG-AXFHLTTASA-N 2 0 225.336 0.454 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872258182 589901681 /nfs/dbraw/zinc/90/16/81/589901681.db2.gz VVVUZYFWZCCJJK-NRUUGDAUSA-N 2 0 239.363 0.557 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[NH2+]CCC1(C)C ZINC000872290471 589906313 /nfs/dbraw/zinc/90/63/13/589906313.db2.gz SGCLWOCIUJFHPD-UHFFFAOYSA-N 2 0 241.379 0.975 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872293472 589907598 /nfs/dbraw/zinc/90/75/98/589907598.db2.gz WEPRLHZERMWBSH-YCGPCKTQSA-N 2 0 249.358 0.324 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)C[NH2+]C1CC1 ZINC000872297033 589907617 /nfs/dbraw/zinc/90/76/17/589907617.db2.gz DYYCKJDJCWLIHZ-UHFFFAOYSA-N 2 0 225.336 0.339 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)CC1(C[NH3+])CC1 ZINC000872300086 589907825 /nfs/dbraw/zinc/90/78/25/589907825.db2.gz SOZPRNOBGULWGV-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000872298905 589908138 /nfs/dbraw/zinc/90/81/38/589908138.db2.gz WJLSZGXLDCLIKY-URLYPYJESA-N 2 0 237.347 0.052 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872306823 589908327 /nfs/dbraw/zinc/90/83/27/589908327.db2.gz XXBBDMMIVKPPGU-MXWKQRLJSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872307607 589908685 /nfs/dbraw/zinc/90/86/85/589908685.db2.gz CAPHOLPNPUPEMO-AXFHLTTASA-N 2 0 227.352 0.700 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000872311580 589909487 /nfs/dbraw/zinc/90/94/87/589909487.db2.gz RPDLWAOAKCNJSN-ILOGHGLZSA-N 2 0 249.358 0.467 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000873211250 589996160 /nfs/dbraw/zinc/99/61/60/589996160.db2.gz WQHZMFGOQIGOLU-WOPDTQHZSA-N 2 0 211.353 0.511 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NCc1cnc(N)cn1 ZINC000873214035 589996942 /nfs/dbraw/zinc/99/69/42/589996942.db2.gz VLEUUUWIBDPPPE-JGVFFNPUSA-N 2 0 209.297 0.274 20 0 BCADRP Nc1cnc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cn1 ZINC000873212895 589997188 /nfs/dbraw/zinc/99/71/88/589997188.db2.gz RRYVVQQFYOZTRO-DTWKUNHWSA-N 2 0 221.308 0.276 20 0 BCADRP C(N1CC[C@@]2(CCC[NH2+]2)C1)C12CC(C1)C[NH2+]2 ZINC000873213705 589997254 /nfs/dbraw/zinc/99/72/54/589997254.db2.gz NKMZQYIVHCXIQD-CPCZMJQVSA-N 2 0 221.348 0.566 20 0 BCADRP C[C@H]1CCN(Cc2cnc(N)cn2)C[C@@H]1C[NH3+] ZINC000873214004 589997355 /nfs/dbraw/zinc/99/73/55/589997355.db2.gz ULIXFOVPWOUTOK-UWVGGRQHSA-N 2 0 235.335 0.476 20 0 BCADRP CC(C)([NH3+])C[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000873215785 589997830 /nfs/dbraw/zinc/99/78/30/589997830.db2.gz FMYRYOHDGDPTLZ-LADJIXMOSA-N 2 0 210.321 0.737 20 0 BCADRP C[C@@H]([NH2+]C[C@]12C[C@H]1C[NH2+]C2)C1CC[NH2+]CC1 ZINC000873220899 589999356 /nfs/dbraw/zinc/99/93/56/589999356.db2.gz WFRKRRNAQURMKD-KGYLQXTDSA-N 3 0 223.364 0.574 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(Cc3cnc(N)cn3)CC[C@@H]21 ZINC000873221609 590000189 /nfs/dbraw/zinc/00/01/89/590000189.db2.gz LQIFCXUPFLMOKK-PWSUYJOCSA-N 2 0 247.346 0.585 20 0 BCADRP C[C@H](NC[C@H]1CCC(C)(C)C[NH2+]1)C1C[NH2+]C1 ZINC000873234024 590003369 /nfs/dbraw/zinc/00/33/69/590003369.db2.gz BFWGWLVFQVNBEP-CMPLNLGQSA-N 2 0 225.380 0.962 20 0 BCADRP CC(C)(O)C[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000873236161 590004868 /nfs/dbraw/zinc/00/48/68/590004868.db2.gz VIYMKUXBLJPBKG-SDDRHHMPSA-N 2 0 241.379 0.301 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000873248665 590007144 /nfs/dbraw/zinc/00/71/44/590007144.db2.gz DDFYVJLFUDYKAL-MGAJPHDKSA-N 2 0 239.363 0.080 20 0 BCADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000873251603 590009183 /nfs/dbraw/zinc/00/91/83/590009183.db2.gz XBTBGHSHSSDCID-KXNHARMFSA-N 3 0 211.353 0.844 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000873253616 590009421 /nfs/dbraw/zinc/00/94/21/590009421.db2.gz BEDGFMGGTHTRSE-YFKTTZPYSA-N 3 0 211.353 0.796 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CN1C1CC1 ZINC000873253970 590009699 /nfs/dbraw/zinc/00/96/99/590009699.db2.gz IHOWCSVJMMMFAC-NNYUYHANSA-N 2 0 223.364 0.939 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CN1C1CC1 ZINC000873253972 590009760 /nfs/dbraw/zinc/00/97/60/590009760.db2.gz IHOWCSVJMMMFAC-WYUUTHIRSA-N 2 0 223.364 0.939 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000873255040 590010005 /nfs/dbraw/zinc/01/00/05/590010005.db2.gz DOJLAMDPNRNJCK-DDHJBXDOSA-N 3 0 211.353 0.844 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873254675 590010395 /nfs/dbraw/zinc/01/03/95/590010395.db2.gz ACJQWYPENUOAIO-DDHJBXDOSA-N 3 0 211.353 0.831 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000873255969 590011026 /nfs/dbraw/zinc/01/10/26/590011026.db2.gz KGLJNMWLYHXWJE-CYDGBPFRSA-N 3 0 223.364 0.940 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261879 590013945 /nfs/dbraw/zinc/01/39/45/590013945.db2.gz SMLUJTOCIMKKRB-MLGHIDQZSA-N 3 0 223.364 0.986 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccnn1C ZINC000873274181 590017044 /nfs/dbraw/zinc/01/70/44/590017044.db2.gz BJXNGJDXCCDODV-GHMZBOCLSA-N 2 0 240.351 0.825 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000873282667 590019708 /nfs/dbraw/zinc/01/97/08/590019708.db2.gz KSYTYYOTCYBOOF-NXEZZACHSA-N 2 0 215.341 0.570 20 0 BCADRP Cc1nonc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000873295417 590022958 /nfs/dbraw/zinc/02/29/58/590022958.db2.gz IAORAJFOYMLDER-OUAUKWLOSA-N 2 0 236.319 0.856 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873297573 590025183 /nfs/dbraw/zinc/02/51/83/590025183.db2.gz YEWCULDRDISGOA-KKOKHZNYSA-N 2 0 212.337 0.735 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)C[NH+]1CCCC1 ZINC000873840279 590074682 /nfs/dbraw/zinc/07/46/82/590074682.db2.gz RBBXTPSOQPSCTB-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP C[N@@H+]1CCCN(C(=O)CCCCC[NH3+])CC1 ZINC000020217833 590088843 /nfs/dbraw/zinc/08/88/43/590088843.db2.gz FWQHEYQVYHIZMJ-UHFFFAOYSA-N 2 0 227.352 0.670 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC000874462404 590113905 /nfs/dbraw/zinc/11/39/05/590113905.db2.gz NZJKBUZYNQOCEQ-UHFFFAOYSA-N 2 0 241.379 0.930 20 0 BCADRP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)C(C)C ZINC000874470816 590114174 /nfs/dbraw/zinc/11/41/74/590114174.db2.gz XTRKLMHKAPLGIA-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C)[NH+](C)C ZINC000874822164 590141285 /nfs/dbraw/zinc/14/12/85/590141285.db2.gz GKIBRNVPZUCDEM-SRVKXCTJSA-N 2 0 239.363 0.632 20 0 BCADRP C[NH+](C)C[C@@](C)(O)C[NH2+]C1CCCC1 ZINC000125898348 590196520 /nfs/dbraw/zinc/19/65/20/590196520.db2.gz PFEUXHINWBJXKW-NSHDSACASA-N 2 0 200.326 0.831 20 0 BCADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NC1CC[NH2+]CC1 ZINC000876503000 590203698 /nfs/dbraw/zinc/20/36/98/590203698.db2.gz VTPHBYKYRXTPBE-UFFNRZRYSA-N 2 0 237.347 0.410 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000876506050 590204438 /nfs/dbraw/zinc/20/44/38/590204438.db2.gz PAVVCXGDUYYWGP-CKOMJFDNSA-N 2 0 237.347 0.218 20 0 BCADRP C[NH2+]CCCNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876507331 590204562 /nfs/dbraw/zinc/20/45/62/590204562.db2.gz BALNTGGAAGMJIO-QRGHLMKCSA-N 2 0 225.336 0.268 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000876506005 590204714 /nfs/dbraw/zinc/20/47/14/590204714.db2.gz NIAKWXKKODMPSW-NXEZZACHSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000876508868 590204886 /nfs/dbraw/zinc/20/48/86/590204886.db2.gz APWHNTAVOXWLBY-UTLUCORTSA-N 2 0 213.325 0.452 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000876507708 590204953 /nfs/dbraw/zinc/20/49/53/590204953.db2.gz LMROLNDXDMLILL-IVZWLZJFSA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000876514727 590206511 /nfs/dbraw/zinc/20/65/11/590206511.db2.gz YLVMJDLYEXAIEU-RYUDHWBXSA-N 2 0 241.379 0.947 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876515734 590206597 /nfs/dbraw/zinc/20/65/97/590206597.db2.gz WUXUTDNDVQXXHS-GARJFASQSA-N 2 0 243.326 0.274 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000876514647 590206725 /nfs/dbraw/zinc/20/67/25/590206725.db2.gz GOPBLPKOYUMEHL-HBNTYKKESA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)C1 ZINC000876518762 590207027 /nfs/dbraw/zinc/20/70/27/590207027.db2.gz YSBXELMFMOZYBV-LXYZTQFVSA-N 2 0 237.347 0.349 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000876522008 590207290 /nfs/dbraw/zinc/20/72/90/590207290.db2.gz DSNPZMUDHDDVMP-RXUHEVMZSA-N 2 0 237.347 0.266 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876522574 590207788 /nfs/dbraw/zinc/20/77/88/590207788.db2.gz WBYUHGFPZOTBBV-LOWVWBTDSA-N 2 0 237.347 0.387 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000876526301 590208478 /nfs/dbraw/zinc/20/84/78/590208478.db2.gz WHUCRNWFSBIBJS-HBNTYKKESA-N 2 0 239.363 0.476 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876524792 590208799 /nfs/dbraw/zinc/20/87/99/590208799.db2.gz SVLXTPBMBMWLNA-GHMZBOCLSA-N 2 0 241.379 0.864 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000876530770 590209728 /nfs/dbraw/zinc/20/97/28/590209728.db2.gz UPMZIEFXIXXUHA-CRTFULIASA-N 2 0 237.347 0.218 20 0 BCADRP [NH3+]CC1(NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CCCC1 ZINC000876530641 590209921 /nfs/dbraw/zinc/20/99/21/590209921.db2.gz OWMQNLPSOCTQRC-UWVGGRQHSA-N 2 0 243.326 0.322 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C[C@H](C)[NH2+]1 ZINC000876530025 590210031 /nfs/dbraw/zinc/21/00/31/590210031.db2.gz IXYQDZZKSGODRL-JBDRJPRFSA-N 2 0 247.289 0.035 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)NC2(C[NH3+])CCCC2)C1(F)F ZINC000876531136 590210401 /nfs/dbraw/zinc/21/04/01/590210401.db2.gz WGHZASVPYIPDHD-HTQZYQBOSA-N 2 0 247.289 0.214 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876534850 590210699 /nfs/dbraw/zinc/21/06/99/590210699.db2.gz UGBBAGFBVGWEEF-BBBLOLIVSA-N 2 0 231.315 0.034 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876534757 590210854 /nfs/dbraw/zinc/21/08/54/590210854.db2.gz DGTHQQZKVZWNGK-GKKDLHFNSA-N 2 0 239.363 0.642 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]([NH3+])C(C)C ZINC000876534853 590210875 /nfs/dbraw/zinc/21/08/75/590210875.db2.gz FDENULSKJZRLCX-UMOJZNBSSA-N 2 0 239.363 0.498 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC[C@@H]1[NH3+] ZINC000876533581 590210930 /nfs/dbraw/zinc/21/09/30/590210930.db2.gz UAOJOOKHGBGYAX-JBDRJPRFSA-N 2 0 247.289 0.022 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000876537647 590211600 /nfs/dbraw/zinc/21/16/00/590211600.db2.gz XLVDBIJNOMWBPV-LPEHRKFASA-N 2 0 225.336 0.213 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC000876537157 590211685 /nfs/dbraw/zinc/21/16/85/590211685.db2.gz LFFHEPVZLUNIST-WZRBSPASSA-N 2 0 237.347 0.372 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876539413 590212083 /nfs/dbraw/zinc/21/20/83/590212083.db2.gz GLZUJUUSVBGSNU-UWVGGRQHSA-N 2 0 245.342 0.568 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876539414 590212244 /nfs/dbraw/zinc/21/22/44/590212244.db2.gz GLZUJUUSVBGSNU-VHSXEESVSA-N 2 0 245.342 0.568 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876539412 590212372 /nfs/dbraw/zinc/21/23/72/590212372.db2.gz GLZUJUUSVBGSNU-NXEZZACHSA-N 2 0 245.342 0.568 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876543498 590212828 /nfs/dbraw/zinc/21/28/28/590212828.db2.gz LUKCSUUXAVRCEM-CIUDSAMLSA-N 2 0 249.305 0.460 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876544466 590213368 /nfs/dbraw/zinc/21/33/68/590213368.db2.gz ULCYOJIEWULVRQ-VWYCJHECSA-N 2 0 241.379 0.994 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876711196 590232635 /nfs/dbraw/zinc/23/26/35/590232635.db2.gz UQSKBJCUFOCDOV-NXEZZACHSA-N 2 0 241.379 0.816 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876710404 590232838 /nfs/dbraw/zinc/23/28/38/590232838.db2.gz KBKQEWDFMHJOHR-GHMZBOCLSA-N 2 0 239.363 0.570 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000876712754 590232942 /nfs/dbraw/zinc/23/29/42/590232942.db2.gz JJRPHXKQGXVDPK-MNOVXSKESA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C)[NH+](C)C ZINC000876735414 590234195 /nfs/dbraw/zinc/23/41/95/590234195.db2.gz NKCJPKOCNPOCNC-BBBLOLIVSA-N 2 0 227.352 0.426 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876732665 590234639 /nfs/dbraw/zinc/23/46/39/590234639.db2.gz CGNIGQKYXLSANW-HBNTYKKESA-N 2 0 243.326 0.144 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000876737456 590235401 /nfs/dbraw/zinc/23/54/01/590235401.db2.gz QWADFSUOYIZTLG-KOLCDFICSA-N 2 0 243.326 0.144 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876750521 590237635 /nfs/dbraw/zinc/23/76/35/590237635.db2.gz WFQUVVRKDIKVHO-MNOVXSKESA-N 2 0 241.379 0.816 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)C1 ZINC000876784291 590240409 /nfs/dbraw/zinc/24/04/09/590240409.db2.gz DGHQAQBECSIQHT-WZQADMAKSA-N 2 0 223.320 0.102 20 0 BCADRP C[NH2+]CCN(C)C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876791313 590241332 /nfs/dbraw/zinc/24/13/32/590241332.db2.gz CAFPCZMWMIYDJC-MVIFTORASA-N 2 0 225.336 0.220 20 0 BCADRP [NH3+][C@H](CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000876790644 590241449 /nfs/dbraw/zinc/24/14/49/590241449.db2.gz AEFNZRRNFYGYCP-FAXSMGADSA-N 2 0 237.347 0.396 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000876796994 590242765 /nfs/dbraw/zinc/24/27/65/590242765.db2.gz QFVFQCIBOAOGTQ-SCVCMEIPSA-N 2 0 225.336 0.324 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000876797592 590242831 /nfs/dbraw/zinc/24/28/31/590242831.db2.gz VKZNQOCUNCZCIX-PNRLHAQJSA-N 2 0 225.336 0.252 20 0 BCADRP C[C@H](C[NH3+])NC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876805800 590244316 /nfs/dbraw/zinc/24/43/16/590244316.db2.gz FUNQRWDUCIYQEW-BYIQDMNASA-N 2 0 211.309 0.006 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876806261 590244474 /nfs/dbraw/zinc/24/44/74/590244474.db2.gz MIUOTZGULWNZFF-MNOVXSKESA-N 2 0 239.363 0.524 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876813893 590245305 /nfs/dbraw/zinc/24/53/05/590245305.db2.gz YIZVRCVKYDJVKS-CHWFTXMASA-N 2 0 243.326 0.048 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876813869 590245368 /nfs/dbraw/zinc/24/53/68/590245368.db2.gz YAQJBWLVGTWKQS-CHWFTXMASA-N 2 0 239.363 0.474 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H]1C ZINC000876831766 590247457 /nfs/dbraw/zinc/24/74/57/590247457.db2.gz JUBGRIBHRUTKGO-JBDRJPRFSA-N 2 0 247.289 0.035 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876831574 590247508 /nfs/dbraw/zinc/24/75/08/590247508.db2.gz HKAAWFWNKRBHID-LNFKQOIKSA-N 2 0 243.326 0.143 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC[NH2+]1 ZINC000876832442 590247570 /nfs/dbraw/zinc/24/75/70/590247570.db2.gz CVECPYYFFZBDAD-CHWFTXMASA-N 2 0 239.363 0.617 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NC1(C)CC[NH2+]CC1 ZINC000876833013 590247627 /nfs/dbraw/zinc/24/76/27/590247627.db2.gz KLNQDYCDOMWVAZ-ZJUUUORDSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876833831 590247860 /nfs/dbraw/zinc/24/78/60/590247860.db2.gz YGXBXDWVYYROAS-ZRUFSTJUSA-N 2 0 239.363 0.569 20 0 BCADRP C[C@H]([NH3+])CNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876836328 590247972 /nfs/dbraw/zinc/24/79/72/590247972.db2.gz UNNUDCBNODNONC-YVDHIRPGSA-N 2 0 211.309 0.006 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000876840020 590248205 /nfs/dbraw/zinc/24/82/05/590248205.db2.gz GREQUTCHSRXDGH-OYNCUSHFSA-N 2 0 247.289 0.024 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876836654 590248440 /nfs/dbraw/zinc/24/84/40/590248440.db2.gz FOWWJTMNHVDCMZ-UTLUCORTSA-N 2 0 227.352 0.474 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000876843713 590248987 /nfs/dbraw/zinc/24/89/87/590248987.db2.gz SWDSCMKAYJVQRL-OCCSQVGLSA-N 2 0 249.358 0.636 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876861326 590249066 /nfs/dbraw/zinc/24/90/66/590249066.db2.gz WOOIUUAYMSIFEC-XSPKLOCKSA-N 2 0 213.325 0.212 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000876847673 590249260 /nfs/dbraw/zinc/24/92/60/590249260.db2.gz DLBHQRDHFJOBEX-SDNRWEOFSA-N 2 0 213.325 0.226 20 0 BCADRP CC1(C)[C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C[C@@H]1[NH3+] ZINC000876857771 590250103 /nfs/dbraw/zinc/25/01/03/590250103.db2.gz VUIWPWWNRIZTRM-XKNYDFJKSA-N 2 0 243.326 0.176 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876858627 590250740 /nfs/dbraw/zinc/25/07/40/590250740.db2.gz UYGGVFFHYALROU-LOWVWBTDSA-N 2 0 239.363 0.762 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876865109 590251323 /nfs/dbraw/zinc/25/13/23/590251323.db2.gz ZRFUZKCBIRUWSX-YIZRAAEISA-N 2 0 213.325 0.213 20 0 BCADRP CN(C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)C1(C[NH3+])CCC1 ZINC000876866412 590251453 /nfs/dbraw/zinc/25/14/53/590251453.db2.gz FNNXKUVHXDGOCY-UWVGGRQHSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[NH+](C)C ZINC000876865774 590251670 /nfs/dbraw/zinc/25/16/70/590251670.db2.gz GZNAGUJEHHCYSO-HTQZYQBOSA-N 2 0 235.278 0.050 20 0 BCADRP CN(C(=O)[C@@H](F)[C@H]1CC[NH2+]C1)C1(C[NH3+])CCC1 ZINC000876867828 590251684 /nfs/dbraw/zinc/25/16/84/590251684.db2.gz NGJMSXHPMLEDSB-UWVGGRQHSA-N 2 0 243.326 0.274 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000876873115 590251983 /nfs/dbraw/zinc/25/19/83/590251983.db2.gz WCLUZVCPYNWQHA-ZJUUUORDSA-N 2 0 239.363 0.570 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876872452 590252066 /nfs/dbraw/zinc/25/20/66/590252066.db2.gz ZYYLSGYOAUFYBO-OUAUKWLOSA-N 2 0 239.363 0.761 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000876914788 590256443 /nfs/dbraw/zinc/25/64/43/590256443.db2.gz VOWPWEASLOFSAB-GMTAPVOTSA-N 2 0 241.379 0.994 20 0 BCADRP CN(C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)[C@H](C[NH3+])C1CC1 ZINC000876913788 590256469 /nfs/dbraw/zinc/25/64/69/590256469.db2.gz LIMVOWUZVZKDQV-HBNTYKKESA-N 2 0 239.363 0.556 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876916082 590256981 /nfs/dbraw/zinc/25/69/81/590256981.db2.gz KLPRIABDUYGNQQ-FZHXTVGLSA-N 2 0 237.347 0.490 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876936391 590258652 /nfs/dbraw/zinc/25/86/52/590258652.db2.gz YNHAJYCJPBUISV-ZRUFSTJUSA-N 2 0 227.352 0.746 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876935007 590258781 /nfs/dbraw/zinc/25/87/81/590258781.db2.gz PVUHZFYZYXJGFX-NGJRWZKOSA-N 2 0 235.278 0.068 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000876935712 590258900 /nfs/dbraw/zinc/25/89/00/590258900.db2.gz UKMBMQKWAUPARI-LNFKQOIKSA-N 2 0 227.352 0.746 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCCCCCC[NH3+] ZINC000876937839 590258915 /nfs/dbraw/zinc/25/89/15/590258915.db2.gz FRQKRNFKXIJWRY-JTQLQIEISA-N 2 0 215.341 0.620 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCCCCCC[NH3+] ZINC000876938261 590259058 /nfs/dbraw/zinc/25/90/58/590259058.db2.gz XEGBOODHEIWMKL-GHMZBOCLSA-N 2 0 241.379 0.995 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000876948371 590259721 /nfs/dbraw/zinc/25/97/21/590259721.db2.gz HTDLLEOAWPNJFZ-GMTAPVOTSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000876948372 590259938 /nfs/dbraw/zinc/25/99/38/590259938.db2.gz HTDLLEOAWPNJFZ-HBNTYKKESA-N 2 0 227.352 0.700 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000876948370 590259942 /nfs/dbraw/zinc/25/99/42/590259942.db2.gz HTDLLEOAWPNJFZ-AXFHLTTASA-N 2 0 227.352 0.700 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876952575 590260181 /nfs/dbraw/zinc/26/01/81/590260181.db2.gz UETHYFDDBBWAHV-CHWFTXMASA-N 2 0 239.363 0.698 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876957985 590260816 /nfs/dbraw/zinc/26/08/16/590260816.db2.gz NNCNUUAGYSOOMA-IUCAKERBSA-N 2 0 227.352 0.556 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000876956279 590260993 /nfs/dbraw/zinc/26/09/93/590260993.db2.gz ITFKJRIRYUYEON-IJLUTSLNSA-N 2 0 239.363 0.857 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000876969772 590262376 /nfs/dbraw/zinc/26/23/76/590262376.db2.gz ZHYDBAVWYHGAAK-YZOMMJAFSA-N 2 0 237.347 0.310 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876968525 590262460 /nfs/dbraw/zinc/26/24/60/590262460.db2.gz PYAJRXKLOQJQPH-VINYVNAESA-N 2 0 249.358 0.492 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876976475 590263404 /nfs/dbraw/zinc/26/34/04/590263404.db2.gz LWXUJFHFWVGIDD-GMTAPVOTSA-N 2 0 245.342 0.424 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000876974717 590263660 /nfs/dbraw/zinc/26/36/60/590263660.db2.gz QSKRGXQHBDZXOC-YZOMMJAFSA-N 2 0 237.347 0.228 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)C[NH2+]C ZINC000876978214 590263898 /nfs/dbraw/zinc/26/38/98/590263898.db2.gz LPJCDBBUJOXPFQ-LOTCAWRZSA-N 2 0 225.336 0.122 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876977828 590264010 /nfs/dbraw/zinc/26/40/10/590264010.db2.gz GTAVKBQNFAFFFD-CIUDSAMLSA-N 2 0 213.325 0.084 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](C)C[NH2+]C ZINC000876978213 590264072 /nfs/dbraw/zinc/26/40/72/590264072.db2.gz LPJCDBBUJOXPFQ-IHJCATOESA-N 2 0 225.336 0.122 20 0 BCADRP C[C@]1(NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000876980065 590264307 /nfs/dbraw/zinc/26/43/07/590264307.db2.gz DYHGLENHBWVHHJ-PYIQSQQJSA-N 2 0 237.347 0.410 20 0 BCADRP C[C@@]1(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]C1 ZINC000876981242 590264617 /nfs/dbraw/zinc/26/46/17/590264617.db2.gz SBZZRDCRCASQSJ-CKYFFXLPSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@]1(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CCC[NH2+]1 ZINC000876985040 590264782 /nfs/dbraw/zinc/26/47/82/590264782.db2.gz MXQZNMZCSPIRMW-DRZSPHRISA-N 2 0 237.347 0.468 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000876998722 590267681 /nfs/dbraw/zinc/26/76/81/590267681.db2.gz QGYVVQRLSYWTCX-PWSUYJOCSA-N 2 0 239.363 0.583 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000877003636 590267850 /nfs/dbraw/zinc/26/78/50/590267850.db2.gz AVUWGQPRJYSKHN-GFCCVEGCSA-N 2 0 249.358 0.697 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@]1(F)CC[NH2+]C1 ZINC000877002455 590268099 /nfs/dbraw/zinc/26/80/99/590268099.db2.gz VHIFVHRNEYSHBZ-KOLCDFICSA-N 2 0 241.310 0.089 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000877005291 590268161 /nfs/dbraw/zinc/26/81/61/590268161.db2.gz QYPWAFBZCKZQCG-KOLCDFICSA-N 2 0 237.347 0.528 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(CC)CC[NH3+] ZINC000877005992 590268288 /nfs/dbraw/zinc/26/82/88/590268288.db2.gz OQUYJRIWLKXNMB-VRJVPJCWSA-N 2 0 225.336 0.205 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000877009722 590268651 /nfs/dbraw/zinc/26/86/51/590268651.db2.gz XWDRVPDQZZFBPI-QWHCGFSZSA-N 2 0 247.342 0.468 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CCCCC[NH3+] ZINC000877022105 590269664 /nfs/dbraw/zinc/26/96/64/590269664.db2.gz PAXOBDFHTKSHSW-WDEREUQCSA-N 2 0 227.352 0.762 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C[NH2+]1 ZINC000877045689 590274012 /nfs/dbraw/zinc/27/40/12/590274012.db2.gz DTUUSTCVEZHSHX-XGEHTFHBSA-N 2 0 247.289 0.083 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N(C)C[C@H](C)[NH3+] ZINC000877094667 590281212 /nfs/dbraw/zinc/28/12/12/590281212.db2.gz BBYIABGSDJPTIW-IUCAKERBSA-N 2 0 201.314 0.165 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000877095024 590281734 /nfs/dbraw/zinc/28/17/34/590281734.db2.gz GTVNNLALYVQYMY-CMPLNLGQSA-N 2 0 235.331 0.362 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000877095766 590281899 /nfs/dbraw/zinc/28/18/99/590281899.db2.gz QJQYEIVGOAKUIA-SRVKXCTJSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H](CC(=O)N(C)C[C@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000877095098 590282060 /nfs/dbraw/zinc/28/20/60/590282060.db2.gz ITPVXTXGDTWUGP-MNOVXSKESA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000877095743 590282143 /nfs/dbraw/zinc/28/21/43/590282143.db2.gz PWZHWPJBDNLKAT-VIFPVBQESA-N 2 0 221.304 0.565 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N(C)C[C@H](C)[NH3+] ZINC000877102738 590283559 /nfs/dbraw/zinc/28/35/59/590283559.db2.gz NIJCDFRYXZKUCF-CMPLNLGQSA-N 2 0 235.331 0.800 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)c1cccc(C[NH3+])c1 ZINC000877103263 590283836 /nfs/dbraw/zinc/28/38/36/590283836.db2.gz SIEJLJJWPSMNTR-SECBINFHSA-N 2 0 221.304 0.565 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877103075 590283850 /nfs/dbraw/zinc/28/38/50/590283850.db2.gz PVRGIPJJKXBTQD-VHSXEESVSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000877104074 590284024 /nfs/dbraw/zinc/28/40/24/590284024.db2.gz BBRINGOJLPKNPW-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000877104073 590284138 /nfs/dbraw/zinc/28/41/38/590284138.db2.gz BBRINGOJLPKNPW-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH3+])[NH+](C)C ZINC000877103639 590284289 /nfs/dbraw/zinc/28/42/89/590284289.db2.gz XBKJWWYLKQHAIA-NXEZZACHSA-N 2 0 215.341 0.378 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000877104710 590284571 /nfs/dbraw/zinc/28/45/71/590284571.db2.gz IHXFPWNGKRFVJJ-OPRDCNLKSA-N 2 0 213.325 0.132 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000877104708 590284578 /nfs/dbraw/zinc/28/45/78/590284578.db2.gz IHXFPWNGKRFVJJ-IVZWLZJFSA-N 2 0 213.325 0.132 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000877105353 590284820 /nfs/dbraw/zinc/28/48/20/590284820.db2.gz OJPXFDFXZRFBKG-ZWNOBZJWSA-N 2 0 247.342 0.679 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000877105888 590284967 /nfs/dbraw/zinc/28/49/67/590284967.db2.gz STXJUFPOQYZCHZ-UTLUCORTSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000877107424 590286050 /nfs/dbraw/zinc/28/60/50/590286050.db2.gz FHMQROBNKBBMGU-BBBLOLIVSA-N 2 0 213.325 0.310 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000877109003 590286147 /nfs/dbraw/zinc/28/61/47/590286147.db2.gz YTYNNWXMIUTIFO-OUAUKWLOSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000877109352 590286857 /nfs/dbraw/zinc/28/68/57/590286857.db2.gz HPCCELPKPBCBCV-XWLWVQCSSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877111236 590287322 /nfs/dbraw/zinc/28/73/22/590287322.db2.gz HTEJSFIHEUCHKQ-WGBDABJCSA-N 2 0 237.347 0.385 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000877126408 590289817 /nfs/dbraw/zinc/28/98/17/590289817.db2.gz JYTCGFGTMUGHAL-MNOVXSKESA-N 2 0 239.363 0.857 20 0 BCADRP CC1(C)CC[C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)[NH2+]C1 ZINC000877151939 590292714 /nfs/dbraw/zinc/29/27/14/590292714.db2.gz VVVYRMLZCPSWAM-GMTAPVOTSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877157286 590293952 /nfs/dbraw/zinc/29/39/52/590293952.db2.gz BYSNISYRGVLSMA-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877157979 590294049 /nfs/dbraw/zinc/29/40/49/590294049.db2.gz MUPCAQFCXISUEY-WDEREUQCSA-N 2 0 241.379 0.736 20 0 BCADRP CC1(C)CC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)[NH2+]C1 ZINC000877158650 590294113 /nfs/dbraw/zinc/29/41/13/590294113.db2.gz WNYSCEDQVXCKES-GHMZBOCLSA-N 2 0 239.363 0.633 20 0 BCADRP O=C(CCC12CC(C1)C[NH2+]2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168563 590295361 /nfs/dbraw/zinc/29/53/61/590295361.db2.gz OHPVKHNDDODCJA-ZRZGDYATSA-N 2 0 235.331 0.091 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000877171364 590296447 /nfs/dbraw/zinc/29/64/47/590296447.db2.gz FJRNKXMPNCKRJX-UKKRHICBSA-N 2 0 225.336 0.452 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000877173079 590296613 /nfs/dbraw/zinc/29/66/13/590296613.db2.gz XZRBOHLGNKQWML-GWOFURMSSA-N 2 0 225.336 0.452 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000877173080 590296675 /nfs/dbraw/zinc/29/66/75/590296675.db2.gz XZRBOHLGNKQWML-LNFKQOIKSA-N 2 0 225.336 0.452 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000877173081 590296711 /nfs/dbraw/zinc/29/67/11/590296711.db2.gz XZRBOHLGNKQWML-ZDCRXTMVSA-N 2 0 225.336 0.452 20 0 BCADRP CC[C@H](C(=O)N1C2CCC1(C[NH3+])CC2)[NH+](C)C ZINC000877183629 590298209 /nfs/dbraw/zinc/29/82/09/590298209.db2.gz ANWZVBKEBUTXRR-QWKFWESOSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187904 590298305 /nfs/dbraw/zinc/29/83/05/590298305.db2.gz LSNLSEWUWIRJKK-SKMKEBHYSA-N 2 0 225.336 0.452 20 0 BCADRP C[C@@]1(C(=O)N2C3CCC2(C[NH3+])CC3)CCC[NH2+]1 ZINC000877184613 590298504 /nfs/dbraw/zinc/29/85/04/590298504.db2.gz FPTBASCVIVTVLI-YDGIUTOCSA-N 2 0 237.347 0.611 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187759 590298557 /nfs/dbraw/zinc/29/85/57/590298557.db2.gz GONQNOSCXXYEOG-FJJSSXBZSA-N 2 0 237.347 0.609 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877184421 590298572 /nfs/dbraw/zinc/29/85/72/590298572.db2.gz MNYINCAFVIFFIC-SILCLGDVSA-N 2 0 211.309 0.077 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000877187738 590298624 /nfs/dbraw/zinc/29/86/24/590298624.db2.gz FTKLTQQJXZOQCQ-ZMZJUVBNSA-N 2 0 235.331 0.219 20 0 BCADRP [NH3+]CC1(CC(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000877185749 590298649 /nfs/dbraw/zinc/29/86/49/590298649.db2.gz GCXKFINTFLUWCD-UHFFFAOYSA-N 2 0 237.347 0.598 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000877185846 590298666 /nfs/dbraw/zinc/29/86/66/590298666.db2.gz JPIMAWHSGVYITI-GJYTXDDASA-N 2 0 223.320 0.206 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877184415 590298748 /nfs/dbraw/zinc/29/87/48/590298748.db2.gz MIYUIEXWOXKKIJ-SILCLGDVSA-N 2 0 211.309 0.206 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)C[C@@H]1CCC[NH2+]1 ZINC000877191742 590298872 /nfs/dbraw/zinc/29/88/72/590298872.db2.gz DLEUIBRZKOQBTC-ZBOXLXRLSA-N 2 0 237.347 0.611 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187915 590299092 /nfs/dbraw/zinc/29/90/92/590299092.db2.gz MBNBEOREQILBPB-RUETXSTFSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)C1CC[NH2+]CC1 ZINC000877192949 590299366 /nfs/dbraw/zinc/29/93/66/590299366.db2.gz VMNYGZRNYYAAIN-UHFFFAOYSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@H](C(=O)N1CC[NH2+]CCC1(C)C)[NH+](C)C ZINC000877233086 590301929 /nfs/dbraw/zinc/30/19/29/590301929.db2.gz LBQRLWFCKAUIGU-SNVBAGLBSA-N 2 0 227.352 0.537 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242483 590302719 /nfs/dbraw/zinc/30/27/19/590302719.db2.gz QRXVFYWMKXRGGA-AEJSXWLSSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877243138 590302796 /nfs/dbraw/zinc/30/27/96/590302796.db2.gz GLQASTHHQLWAQM-DDHJBXDOSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000877245226 590303000 /nfs/dbraw/zinc/30/30/00/590303000.db2.gz DKPJQZVUIIKWTD-YFKTTZPYSA-N 2 0 239.363 0.583 20 0 BCADRP [NH3+]C1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000877245639 590303021 /nfs/dbraw/zinc/30/30/21/590303021.db2.gz JVRRAFLWQHRFIA-ILWJIGKKSA-N 2 0 223.320 0.125 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC[C@@H]21 ZINC000877248878 590303519 /nfs/dbraw/zinc/30/35/19/590303519.db2.gz FZRQFUUYMUCGKB-IEECTRCBSA-N 2 0 249.358 0.004 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3=CC[C@H]([NH3+])C3)CC[C@H]21 ZINC000877249101 590303834 /nfs/dbraw/zinc/30/38/34/590303834.db2.gz HSRHTRMECMLYCI-FRRDWIJNSA-N 2 0 249.358 0.587 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)CC[C@@H]21 ZINC000877250325 590304002 /nfs/dbraw/zinc/30/40/02/590304002.db2.gz PEGXUAWKFUXPFX-SRVKXCTJSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000877254189 590304377 /nfs/dbraw/zinc/30/43/77/590304377.db2.gz RECFOPDBLJMXIL-CABZTGNLSA-N 2 0 237.347 0.538 20 0 BCADRP [NH3+]C1(CC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000877271892 590305495 /nfs/dbraw/zinc/30/54/95/590305495.db2.gz FOFLKRHMXUCIDG-NXEZZACHSA-N 2 0 223.320 0.221 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000877273297 590305584 /nfs/dbraw/zinc/30/55/84/590305584.db2.gz NTDQSNDMLZEVCW-WOPDTQHZSA-N 2 0 235.331 0.387 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877280300 590306226 /nfs/dbraw/zinc/30/62/26/590306226.db2.gz CFPMOPVNRNMFTD-FIQHERPVSA-N 2 0 237.347 0.337 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)co1 ZINC000877280906 590306470 /nfs/dbraw/zinc/30/64/70/590306470.db2.gz FBCGTENGUSSLRJ-RYUDHWBXSA-N 2 0 249.314 0.705 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877284038 590306704 /nfs/dbraw/zinc/30/67/04/590306704.db2.gz RUWYELGCGABOCC-MNXVOIDGSA-N 2 0 249.358 0.339 20 0 BCADRP [NH3+]CCCCCC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877282775 590306782 /nfs/dbraw/zinc/30/67/82/590306782.db2.gz NAZJHRGAEVNCRJ-VXGBXAGGSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877282726 590306816 /nfs/dbraw/zinc/30/68/16/590306816.db2.gz MUDSKUFPTQAULA-ZMLRMANQSA-N 2 0 237.347 0.480 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877282439 590306845 /nfs/dbraw/zinc/30/68/45/590306845.db2.gz LWJUKACJYUTIJD-GHMZBOCLSA-N 2 0 223.320 0.091 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877285356 590307283 /nfs/dbraw/zinc/30/72/83/590307283.db2.gz ZXCGXNPMDVYVDG-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP O=C(N1CCC[C@@H]2[NH2+]CC[C@@H]21)[C@]1(F)CC[NH2+]C1 ZINC000877287116 590307428 /nfs/dbraw/zinc/30/74/28/590307428.db2.gz JEQJPNQXVSOPII-NHCYSSNCSA-N 2 0 241.310 0.041 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000877293351 590307817 /nfs/dbraw/zinc/30/78/17/590307817.db2.gz MLBNZFOABGEQJJ-GWOFURMSSA-N 2 0 239.363 0.746 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877346393 590318872 /nfs/dbraw/zinc/31/88/72/590318872.db2.gz CLRZNRKCUGZXEV-ZDUSSCGKSA-N 2 0 247.342 0.427 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ccc(C[NH3+])o1)C2 ZINC000877379583 590319646 /nfs/dbraw/zinc/31/96/46/590319646.db2.gz LJIYWKKJHBFCHX-TVQRCGJNSA-N 2 0 249.314 0.420 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C[NH2+]CC1CC1)C2 ZINC000877379776 590319722 /nfs/dbraw/zinc/31/97/22/590319722.db2.gz MKNVWGOXBCJHRY-WCQYABFASA-N 2 0 237.347 0.054 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877379509 590320021 /nfs/dbraw/zinc/32/00/21/590320021.db2.gz JADBHNTTYFAGQP-JBLDHEPKSA-N 2 0 225.336 0.038 20 0 BCADRP C[C@@]1(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[NH2+]C1 ZINC000877379516 590320091 /nfs/dbraw/zinc/32/00/91/590320091.db2.gz JFAPSYLRCVSRBB-CYZMBNFOSA-N 2 0 237.347 0.054 20 0 BCADRP C[C@H](C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2)[NH+](C)C ZINC000877384644 590320605 /nfs/dbraw/zinc/32/06/05/590320605.db2.gz KZSGPXPUOVZPIU-CKYFFXLPSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877386708 590320664 /nfs/dbraw/zinc/32/06/64/590320664.db2.gz SOOOINPCHORRCZ-ATZCPNFKSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C1([NH3+])CCCC1)C2 ZINC000877380234 590320675 /nfs/dbraw/zinc/32/06/75/590320675.db2.gz YEMUKVRSWXEUJI-CMPLNLGQSA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000877384159 590320731 /nfs/dbraw/zinc/32/07/31/590320731.db2.gz DMJAEQBQXBKXJD-WZRBSPASSA-N 2 0 235.331 0.435 20 0 BCADRP C[C@@H](C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2)[NH+](C)C ZINC000877384649 590321102 /nfs/dbraw/zinc/32/11/02/590321102.db2.gz KZSGPXPUOVZPIU-NHCYSSNCSA-N 2 0 225.336 0.337 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877387850 590321480 /nfs/dbraw/zinc/32/14/80/590321480.db2.gz RRIZSPQLLISCDV-HOSYDEDBSA-N 2 0 225.336 0.385 20 0 BCADRP O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@H]1C[C@]12CC[NH2+]C2 ZINC000877389430 590321502 /nfs/dbraw/zinc/32/15/02/590321502.db2.gz CQUDGIQAIIIZJT-XWUBHJNHSA-N 2 0 249.358 0.387 20 0 BCADRP O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000877389428 590321540 /nfs/dbraw/zinc/32/15/40/590321540.db2.gz CQUDGIQAIIIZJT-VTPLQMEGSA-N 2 0 249.358 0.387 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391044 590322039 /nfs/dbraw/zinc/32/20/39/590322039.db2.gz MAMONKIYHVSBKF-AAEUAGOBSA-N 2 0 239.363 0.729 20 0 BCADRP O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC000877392839 590322145 /nfs/dbraw/zinc/32/21/45/590322145.db2.gz URQKEGGXCLCEIH-NTZNESFSSA-N 2 0 237.347 0.387 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877391081 590322250 /nfs/dbraw/zinc/32/22/50/590322250.db2.gz MLQBBYSAXATDDX-SOCHQFKDSA-N 2 0 247.289 0.370 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391503 590322295 /nfs/dbraw/zinc/32/22/95/590322295.db2.gz OGTATBVWLSSVSI-GAFUQQFSSA-N 2 0 237.347 0.528 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877398875 590322911 /nfs/dbraw/zinc/32/29/11/590322911.db2.gz INELJJYXZIEWHM-YPMHNXCESA-N 2 0 239.363 0.775 20 0 BCADRP O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@@]1(F)CC[NH2+]C1 ZINC000877398015 590322932 /nfs/dbraw/zinc/32/29/32/590322932.db2.gz ADZDIPSELRNMJN-WCQGTBRESA-N 2 0 241.310 0.089 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877400927 590324269 /nfs/dbraw/zinc/32/42/69/590324269.db2.gz YJPAFSSSBLNDSH-ZYHUDNBSSA-N 2 0 225.336 0.387 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CCCCCC[NH3+] ZINC000877438051 590327886 /nfs/dbraw/zinc/32/78/86/590327886.db2.gz HULRWALZYRETFN-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N(C)CCCCCC[NH3+] ZINC000877438255 590328045 /nfs/dbraw/zinc/32/80/45/590328045.db2.gz MIXWFXPUVHWXEQ-LLVKDONJSA-N 2 0 229.368 0.947 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)C(C)(C)C[NH3+] ZINC000877441503 590328309 /nfs/dbraw/zinc/32/83/09/590328309.db2.gz CRRYYJYGJLPHDZ-UHFFFAOYSA-N 2 0 229.368 0.949 20 0 BCADRP C[NH2+]CC(=O)N(C)CCCCCC[NH3+] ZINC000877444770 590328636 /nfs/dbraw/zinc/32/86/36/590328636.db2.gz PXOMNAHPMLKGTJ-UHFFFAOYSA-N 2 0 201.314 0.183 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)[C@@H]1CCC[NH2+]1 ZINC000877445970 590328981 /nfs/dbraw/zinc/32/89/81/590328981.db2.gz XALUCXVRZRHZSJ-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)[C@]1(C)CC[NH2+]C1 ZINC000877445290 590329264 /nfs/dbraw/zinc/32/92/64/590329264.db2.gz SPPNHUDUROKBPI-CYBMUJFWSA-N 2 0 241.379 0.964 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC[NH2+]1 ZINC000877451501 590329761 /nfs/dbraw/zinc/32/97/61/590329761.db2.gz OTFKHKBOYUATMO-VWYCJHECSA-N 2 0 223.320 0.043 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(CC(=O)NC3CC3)CC[C@@H]21 ZINC000879567170 590807085 /nfs/dbraw/zinc/80/70/85/590807085.db2.gz NJMGIAUXSHIXGA-PWSUYJOCSA-N 2 0 237.347 0.291 20 0 BCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573655 590811748 /nfs/dbraw/zinc/81/17/48/590811748.db2.gz PJGBNSUXYPKZJP-IJLUTSLNSA-N 2 0 228.336 0.020 20 0 BCADRP CC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573771 590814679 /nfs/dbraw/zinc/81/46/79/590814679.db2.gz RCUJKGZVFOUZPS-WOPDTQHZSA-N 2 0 212.337 0.783 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)C3CC3)CC[C@H]21 ZINC000879580583 590822350 /nfs/dbraw/zinc/82/23/50/590822350.db2.gz UHLDXAQOPZTRTB-JHJVBQTASA-N 2 0 224.348 0.783 20 0 BCADRP CN1CCO[C@@H](CSCC[NH+](C)C)C1 ZINC000566067788 631260627 /nfs/dbraw/zinc/26/06/27/631260627.db2.gz CVWVZWLRRVIHMB-SNVBAGLBSA-N 2 0 218.366 0.612 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000882486924 591363974 /nfs/dbraw/zinc/36/39/74/591363974.db2.gz YPZKLKKCSPWHQJ-NWDGAFQWSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C[C@H]([NH3+])C1CC1 ZINC000129840099 591412313 /nfs/dbraw/zinc/41/23/13/591412313.db2.gz JEHUAPHHNACEAD-ONGXEEELSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC000214349075 591550054 /nfs/dbraw/zinc/55/00/54/591550054.db2.gz NHAJOYNDNATXMF-GQPNGRKGSA-N 2 0 245.754 0.526 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000131144931 591559518 /nfs/dbraw/zinc/55/95/18/591559518.db2.gz PAQGMWYTVMANLB-WDEREUQCSA-N 2 0 225.336 0.468 20 0 BCADRP [NH3+]C[C@H]1CCCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883417589 591652529 /nfs/dbraw/zinc/65/25/29/591652529.db2.gz GIMUGFCQTZKSJM-LPEHRKFASA-N 2 0 201.289 0.110 20 0 BCADRP C[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000883416728 591652903 /nfs/dbraw/zinc/65/29/03/591652903.db2.gz CNYQZBUOOARVQR-ZNSHCXBVSA-N 2 0 215.316 0.369 20 0 BCADRP C[NH2+]C1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883417108 591652986 /nfs/dbraw/zinc/65/29/86/591652986.db2.gz NTUOSRRDALSLRG-ONGXEEELSA-N 2 0 215.316 0.370 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883424436 591658836 /nfs/dbraw/zinc/65/88/36/591658836.db2.gz RYDKPTIHGVEXNR-AVGNSLFASA-N 2 0 243.370 0.960 20 0 BCADRP NC[C@@H]([NH2+]CCn1cnnn1)C1CCCCC1 ZINC000883429813 591660427 /nfs/dbraw/zinc/66/04/27/591660427.db2.gz FTLWRWJPYJGOBO-LLVKDONJSA-N 2 0 238.339 0.170 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883427902 591660548 /nfs/dbraw/zinc/66/05/48/591660548.db2.gz FXBOMXWPCVTEIA-SRVKXCTJSA-N 2 0 229.343 0.890 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000883428102 591660771 /nfs/dbraw/zinc/66/07/71/591660771.db2.gz LSRANQDNNWNLLJ-RWMBFGLXSA-N 2 0 241.354 0.762 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883427629 591660947 /nfs/dbraw/zinc/66/09/47/591660947.db2.gz XECVPANAGQMPHY-SRVKXCTJSA-N 2 0 229.343 0.747 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883430533 591661723 /nfs/dbraw/zinc/66/17/23/591661723.db2.gz XBVDSQWTZSNDQW-GARJFASQSA-N 2 0 229.343 0.664 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000883430344 591661742 /nfs/dbraw/zinc/66/17/42/591661742.db2.gz SMYBLKQLCIKVBQ-RWMBFGLXSA-N 2 0 241.354 0.762 20 0 BCADRP C[C@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C[NH3+] ZINC000883432373 591663145 /nfs/dbraw/zinc/66/31/45/591663145.db2.gz QFNRGSQFDNTFSE-BJDJZHNGSA-N 2 0 229.343 0.603 20 0 BCADRP CCN(CC[NH3+])C[C@H]1CCC2(CCOCC2)O1 ZINC000883437401 591667117 /nfs/dbraw/zinc/66/71/17/591667117.db2.gz QYOFSXDOSCJHGA-GFCCVEGCSA-N 2 0 242.363 0.995 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C[C@@H]3C[C@H](F)C[NH2+]3)CC[C@H]21 ZINC000883438806 591667418 /nfs/dbraw/zinc/66/74/18/591667418.db2.gz CQDNSCUFRZWECS-ZDEQEGDKSA-N 2 0 241.354 0.712 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883441219 591668565 /nfs/dbraw/zinc/66/85/65/591668565.db2.gz KCBUACNVPLZROE-AXTSPUMRSA-N 2 0 215.316 0.402 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000883440693 591668981 /nfs/dbraw/zinc/66/89/81/591668981.db2.gz WWXHDIWVTMBTJJ-MROQNXINSA-N 2 0 241.354 0.760 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)C[C@H](C)[NH2+]1 ZINC000131856885 591671307 /nfs/dbraw/zinc/67/13/07/591671307.db2.gz ZHASAPYCVOCJDP-GMXVVIOVSA-N 2 0 247.342 0.895 20 0 BCADRP COc1cccc([C@H]2C[NH2+]CCN2CCC[NH3+])c1 ZINC000883455801 591672191 /nfs/dbraw/zinc/67/21/91/591672191.db2.gz LCEGWDZIVPVPRM-CQSZACIVSA-N 2 0 249.358 0.990 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000131860427 591672610 /nfs/dbraw/zinc/67/26/10/591672610.db2.gz XVXNZRRLRBIHKC-LPEHRKFASA-N 2 0 213.325 0.179 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000884004591 591792640 /nfs/dbraw/zinc/79/26/40/591792640.db2.gz DQCNPZCBNIAGGS-JTQLQIEISA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N1CCC([NH3+])CC1 ZINC000884005082 591792705 /nfs/dbraw/zinc/79/27/05/591792705.db2.gz SXKRBTYEOQQCKN-SNVBAGLBSA-N 2 0 211.309 0.064 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC1CC[NH2+]CC1 ZINC000884005895 591794566 /nfs/dbraw/zinc/79/45/66/591794566.db2.gz YUXOHQZQFBFPNQ-NSHDSACASA-N 2 0 241.379 0.864 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCC[NH2+]CC1 ZINC000884009444 591796538 /nfs/dbraw/zinc/79/65/38/591796538.db2.gz WOTZBOIDGOSESD-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP COCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000884013711 591799210 /nfs/dbraw/zinc/79/92/10/591799210.db2.gz QLOJIPMBJPJZGK-OUAUKWLOSA-N 2 0 243.351 0.079 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000884016830 591800117 /nfs/dbraw/zinc/80/01/17/591800117.db2.gz FKIKSVKVCKEPLE-WDEREUQCSA-N 2 0 239.363 0.348 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000884016829 591800631 /nfs/dbraw/zinc/80/06/31/591800631.db2.gz FKIKSVKVCKEPLE-QWRGUYRKSA-N 2 0 239.363 0.348 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000884017376 591800787 /nfs/dbraw/zinc/80/07/87/591800787.db2.gz VGUCXBPTNNVICA-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[C@H]([NH3+])C1 ZINC000884019992 591801815 /nfs/dbraw/zinc/80/18/15/591801815.db2.gz KFIFERKCLQAQRB-UWVGGRQHSA-N 2 0 227.352 0.556 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000884021065 591802217 /nfs/dbraw/zinc/80/22/17/591802217.db2.gz QYDVXMBQDIEXLM-WDEREUQCSA-N 2 0 241.379 0.803 20 0 BCADRP CC[NH2+]CCNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884023183 591804003 /nfs/dbraw/zinc/80/40/03/591804003.db2.gz FACGCODQUBFFNP-JTQLQIEISA-N 2 0 229.368 0.722 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000884026445 591809036 /nfs/dbraw/zinc/80/90/36/591809036.db2.gz DCZQUIJGHKZWNR-NEPJUHHUSA-N 2 0 241.379 0.736 20 0 BCADRP CN(C(=O)[C@H]1C[NH2+]CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000884028221 591812856 /nfs/dbraw/zinc/81/28/56/591812856.db2.gz ASWTYLWBNSJPQO-VHSXEESVSA-N 2 0 225.336 0.052 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000884028806 591812925 /nfs/dbraw/zinc/81/29/25/591812925.db2.gz SAWZECACCZJABE-GHMZBOCLSA-N 2 0 241.379 0.816 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000884029377 591813735 /nfs/dbraw/zinc/81/37/35/591813735.db2.gz KCSTVLGXUNTRPH-NSHDSACASA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000884030199 591814083 /nfs/dbraw/zinc/81/40/83/591814083.db2.gz JAXVNOXWCIJCAK-TUAOUCFPSA-N 2 0 241.379 0.829 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC2(C)C)C[C@@H](C)[NH2+]1 ZINC000884030403 591814295 /nfs/dbraw/zinc/81/42/95/591814295.db2.gz NMLUSHLRLORGBS-GMTAPVOTSA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000884031846 591815551 /nfs/dbraw/zinc/81/55/51/591815551.db2.gz AYGWGRRATXCZRS-GHMZBOCLSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884035205 591817908 /nfs/dbraw/zinc/81/79/08/591817908.db2.gz UPXYPAZWWJSJGN-YPMHNXCESA-N 2 0 241.379 0.994 20 0 BCADRP COCC[C@H]([NH3+])C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000884040813 591823165 /nfs/dbraw/zinc/82/31/65/591823165.db2.gz DYFKFGHJIVXHDQ-QWRGUYRKSA-N 2 0 245.367 0.182 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000133757627 591852879 /nfs/dbraw/zinc/85/28/79/591852879.db2.gz WQIZOFPXCINEGR-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+]1CCCC1 ZINC000884180195 591869072 /nfs/dbraw/zinc/86/90/72/591869072.db2.gz PSEGOXAMPKPLGC-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])CC1CC1)C1CC1 ZINC000884196531 591872251 /nfs/dbraw/zinc/87/22/51/591872251.db2.gz UFLOSEOEGOAUMM-RYUDHWBXSA-N 2 0 239.363 0.570 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884206779 591873202 /nfs/dbraw/zinc/87/32/02/591873202.db2.gz DUDPGMJNJLGBFP-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H](C)C[NH3+] ZINC000884237890 591876931 /nfs/dbraw/zinc/87/69/31/591876931.db2.gz OFMSFGUEBRHMTG-ZJUUUORDSA-N 2 0 229.368 0.707 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000884238363 591878099 /nfs/dbraw/zinc/87/80/99/591878099.db2.gz ZYJCJXHLFYQPNM-NWDGAFQWSA-N 2 0 237.347 0.467 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000884244204 591880449 /nfs/dbraw/zinc/88/04/49/591880449.db2.gz AIZWGNMGBZHNCI-TUAOUCFPSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000884245085 591881612 /nfs/dbraw/zinc/88/16/12/591881612.db2.gz PTMNGRXCQXYNKI-HBNTYKKESA-N 2 0 239.363 0.428 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000884244671 591881970 /nfs/dbraw/zinc/88/19/70/591881970.db2.gz JJQMNSWUDRYUCA-SRVKXCTJSA-N 2 0 241.379 0.829 20 0 BCADRP C[C@]1(CNC(=O)[C@@H]([NH3+])CC2CC2)CCC[NH2+]C1 ZINC000884246964 591883026 /nfs/dbraw/zinc/88/30/26/591883026.db2.gz DTEFBMRANXLCBF-AAEUAGOBSA-N 2 0 239.363 0.620 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000884254764 591885532 /nfs/dbraw/zinc/88/55/32/591885532.db2.gz RJLKTRRLYNESMW-GRYCIOLGSA-N 2 0 241.379 0.735 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884254362 591885720 /nfs/dbraw/zinc/88/57/20/591885720.db2.gz JWZVRBKQGDHIQX-IEBDPFPHSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000884265689 591888143 /nfs/dbraw/zinc/88/81/43/591888143.db2.gz QNSSWZSRIOXNFO-MNOVXSKESA-N 2 0 225.336 0.372 20 0 BCADRP CC1([NH3+])CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884266335 591888428 /nfs/dbraw/zinc/88/84/28/591888428.db2.gz OKNBWBSETGRBMK-JTQLQIEISA-N 2 0 225.336 0.454 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000884265691 591888915 /nfs/dbraw/zinc/88/89/15/591888915.db2.gz QNSSWZSRIOXNFO-WDEREUQCSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000884271967 591889478 /nfs/dbraw/zinc/88/94/78/591889478.db2.gz NNZDMLOUQIWHJQ-UTUOFQBUSA-N 2 0 241.379 0.877 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H](C)[NH3+] ZINC000884274877 591889717 /nfs/dbraw/zinc/88/97/17/591889717.db2.gz WYGNWQGUJFYFPV-IUCAKERBSA-N 2 0 215.341 0.459 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884275885 591891016 /nfs/dbraw/zinc/89/10/16/591891016.db2.gz ZADLVSDVOGOCBE-NXEZZACHSA-N 2 0 227.352 0.346 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884277402 591892034 /nfs/dbraw/zinc/89/20/34/591892034.db2.gz NTOZMVJXAFPPGR-NEPJUHHUSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884286285 591893027 /nfs/dbraw/zinc/89/30/27/591893027.db2.gz AVDDWQQEMAEFTQ-CNVPUSNMSA-N 2 0 239.363 0.617 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000884294435 591895564 /nfs/dbraw/zinc/89/55/64/591895564.db2.gz AYSISDVNYRIDHH-QWRGUYRKSA-N 2 0 229.368 0.864 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000884293274 591895721 /nfs/dbraw/zinc/89/57/21/591895721.db2.gz YSDISELIPDGFIK-DCAQKATOSA-N 2 0 245.342 0.437 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884292363 591896237 /nfs/dbraw/zinc/89/62/37/591896237.db2.gz XHTPFZJRKFIVAH-GHMZBOCLSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000884296600 591897357 /nfs/dbraw/zinc/89/73/57/591897357.db2.gz BEKHINXHPOVHMM-AEJSXWLSSA-N 2 0 229.368 0.848 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884296340 591897413 /nfs/dbraw/zinc/89/74/13/591897413.db2.gz VKHBUWPLUATVLT-PSASIEDQSA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000884299654 591897900 /nfs/dbraw/zinc/89/79/00/591897900.db2.gz ZWDJYHNYLXWOPD-RKDXNWHRSA-N 2 0 247.289 0.227 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000884299652 591898038 /nfs/dbraw/zinc/89/80/38/591898038.db2.gz ZWDJYHNYLXWOPD-DTWKUNHWSA-N 2 0 247.289 0.227 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000884299651 591898524 /nfs/dbraw/zinc/89/85/24/591898524.db2.gz ZWDJYHNYLXWOPD-BDAKNGLRSA-N 2 0 247.289 0.227 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000884304407 591898761 /nfs/dbraw/zinc/89/87/61/591898761.db2.gz OCADPUYUJWOFPT-QWRGUYRKSA-N 2 0 241.379 0.877 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000884302974 591899443 /nfs/dbraw/zinc/89/94/43/591899443.db2.gz CTTJRGLBTHYIGR-HBNTYKKESA-N 2 0 239.363 0.476 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000884304729 591900379 /nfs/dbraw/zinc/90/03/79/591900379.db2.gz ZBJNENLGLYJQTI-SNVBAGLBSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000884304614 591900719 /nfs/dbraw/zinc/90/07/19/591900719.db2.gz VOFXELBQPUGXKY-NSHDSACASA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@H]([NH3+])CC1CC1)C1CCCC1 ZINC000884336891 591905953 /nfs/dbraw/zinc/90/59/53/591905953.db2.gz ZGXUDLVBTKDXLW-VXGBXAGGSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884339826 591907109 /nfs/dbraw/zinc/90/71/09/591907109.db2.gz XZTSLLOBJQKYAY-AEJSXWLSSA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884347775 591908413 /nfs/dbraw/zinc/90/84/13/591908413.db2.gz FOJTVFCYLHQGSC-YUMQZZPRSA-N 2 0 213.325 0.213 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C1CC[NH2+]CC1 ZINC000884347882 591908799 /nfs/dbraw/zinc/90/87/99/591908799.db2.gz IUXPDNICQYKMTJ-ZJUUUORDSA-N 2 0 225.336 0.228 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884347759 591908825 /nfs/dbraw/zinc/90/88/25/591908825.db2.gz DZKRTTBCTHDQJH-YIZRAAEISA-N 2 0 245.392 0.309 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884347815 591908888 /nfs/dbraw/zinc/90/88/88/591908888.db2.gz HBQVGEWUNSJRCW-GUBZILKMSA-N 2 0 227.352 0.602 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000884344646 591908929 /nfs/dbraw/zinc/90/89/29/591908929.db2.gz LZZMIVRCWLUKKC-YPMHNXCESA-N 2 0 237.347 0.468 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000884348430 591909635 /nfs/dbraw/zinc/90/96/35/591909635.db2.gz YVNAEKPFAWXSRY-IVZWLZJFSA-N 2 0 225.336 0.371 20 0 BCADRP CN1CCN(C(=O)CNCc2ccoc2)CC1 ZINC000134287230 591911433 /nfs/dbraw/zinc/91/14/33/591911433.db2.gz SAUZBQADXWNYQL-UHFFFAOYSA-N 2 0 237.303 0.143 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1ccnc(C[NH3+])c1 ZINC000884357542 591911792 /nfs/dbraw/zinc/91/17/92/591911792.db2.gz AHNXLGGRGLEIHB-QWRGUYRKSA-N 2 0 248.330 0.396 20 0 BCADRP C[C@@H](C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C)[NH+](C)C ZINC000884358118 591912695 /nfs/dbraw/zinc/91/26/95/591912695.db2.gz LKKVIHOECJZKDI-YIZRAAEISA-N 2 0 213.325 0.179 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000884358048 591913151 /nfs/dbraw/zinc/91/31/51/591913151.db2.gz KUXIFVXOYPLYEP-HBNTYKKESA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)CC[N@@H+]1C ZINC000884361706 591914439 /nfs/dbraw/zinc/91/44/39/591914439.db2.gz XJKFJQOFRANMFX-GWOFURMSSA-N 2 0 239.363 0.569 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C)[C@@H](C)[NH3+] ZINC000884361602 591914537 /nfs/dbraw/zinc/91/45/37/591914537.db2.gz VRGJFTWJGXHESJ-YTWAJWBKSA-N 2 0 241.379 0.848 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000884361317 591914851 /nfs/dbraw/zinc/91/48/51/591914851.db2.gz QDYLQWIBHSMPKE-RKDXNWHRSA-N 2 0 225.336 0.357 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CC[NH2+]C1CC1 ZINC000884362665 591915834 /nfs/dbraw/zinc/91/58/34/591915834.db2.gz PGBPRQLQYHQABB-NXEZZACHSA-N 2 0 225.336 0.371 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884363462 591916347 /nfs/dbraw/zinc/91/63/47/591916347.db2.gz CZQDQIUUSHGPCP-IWSPIJDZSA-N 2 0 213.325 0.226 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884363461 591916656 /nfs/dbraw/zinc/91/66/56/591916656.db2.gz CZQDQIUUSHGPCP-HRDYMLBCSA-N 2 0 213.325 0.226 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884363806 591916835 /nfs/dbraw/zinc/91/68/35/591916835.db2.gz JAPUJWFNDNPXNT-HBNTYKKESA-N 2 0 241.379 0.992 20 0 BCADRP C[C@H](C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C)[NH+](C)C ZINC000884365604 591917066 /nfs/dbraw/zinc/91/70/66/591917066.db2.gz LKKVIHOECJZKDI-VGMNWLOBSA-N 2 0 213.325 0.179 20 0 BCADRP CC1(C)[C@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C[C@@H]1[NH3+] ZINC000884365712 591917277 /nfs/dbraw/zinc/91/72/77/591917277.db2.gz NIFCZJSBKIIXIG-ASKWGEHWSA-N 2 0 237.347 0.356 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000884366297 591917404 /nfs/dbraw/zinc/91/74/04/591917404.db2.gz XKAUOKFFPXJGJS-OUAUKWLOSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000884372477 591918970 /nfs/dbraw/zinc/91/89/70/591918970.db2.gz NWCLMZDAGOUFGD-VWYCJHECSA-N 2 0 229.368 0.863 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)NCCC[NH2+]C1CC1 ZINC000884375807 591920200 /nfs/dbraw/zinc/92/02/00/591920200.db2.gz MMOZBIGAJDSYHQ-LLVKDONJSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]CC1(CCNC(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884384642 591921843 /nfs/dbraw/zinc/92/18/43/591921843.db2.gz SIGYAHLVCJNBLT-JTQLQIEISA-N 2 0 225.336 0.359 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NCCC1(C[NH3+])CC1 ZINC000884385812 591922291 /nfs/dbraw/zinc/92/22/91/591922291.db2.gz WARUTPFSNYMLQZ-NSHDSACASA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000884390349 591923775 /nfs/dbraw/zinc/92/37/75/591923775.db2.gz UKLXDVDGPMUKFE-UTUOFQBUSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000884416104 591927699 /nfs/dbraw/zinc/92/76/99/591927699.db2.gz QLQIECQHLABTID-GHMZBOCLSA-N 2 0 227.352 0.603 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884420634 591930217 /nfs/dbraw/zinc/93/02/17/591930217.db2.gz ZAJKUHFYQPNZRB-UWVGGRQHSA-N 2 0 229.368 0.720 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000884426880 591930547 /nfs/dbraw/zinc/93/05/47/591930547.db2.gz XOYSOYSLRPKGOL-WZRBSPASSA-N 2 0 237.347 0.454 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000884444631 591936595 /nfs/dbraw/zinc/93/65/95/591936595.db2.gz QVPSXNAOADHACA-NXEZZACHSA-N 2 0 229.368 0.802 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884430537 591931632 /nfs/dbraw/zinc/93/16/32/591931632.db2.gz SRJJBBZUIGSKNF-RYUDHWBXSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000884438087 591934084 /nfs/dbraw/zinc/93/40/84/591934084.db2.gz UJUPRKHDFRDLBP-WOPDTQHZSA-N 2 0 241.379 0.877 20 0 BCADRP C[C@H](CNC(=O)CC[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000134528854 591934992 /nfs/dbraw/zinc/93/49/92/591934992.db2.gz MLOYHYFKXJPDNS-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884458299 591940090 /nfs/dbraw/zinc/94/00/90/591940090.db2.gz BBRHNFVHKJDSKF-FKTZTGRPSA-N 2 0 211.309 0.062 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884458194 591940376 /nfs/dbraw/zinc/94/03/76/591940376.db2.gz ZBSMFLQYDYLQOY-DCAQKATOSA-N 2 0 225.336 0.193 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884459261 591940933 /nfs/dbraw/zinc/94/09/33/591940933.db2.gz ZPSZMCMYILXILH-KXUCPTDWSA-N 2 0 225.336 0.180 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@H]([NH3+])CC1CC1 ZINC000884461013 591941120 /nfs/dbraw/zinc/94/11/20/591941120.db2.gz RDEKBEKYMYOOMV-QWKFWESOSA-N 2 0 237.347 0.596 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000884469697 591944253 /nfs/dbraw/zinc/94/42/53/591944253.db2.gz SFXJKBJCXVCJDO-GMTAPVOTSA-N 2 0 241.379 0.849 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C[C@@](C)(O)C(F)F)C1 ZINC000886010839 592130018 /nfs/dbraw/zinc/13/00/18/592130018.db2.gz QMQZENVUQJBGQF-MWLCHTKSSA-N 2 0 236.306 0.886 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000137385221 592175933 /nfs/dbraw/zinc/17/59/33/592175933.db2.gz OTXNONUERWIUFJ-CMPLNLGQSA-N 2 0 241.379 0.960 20 0 BCADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)CC1(C)C ZINC000886249042 592185375 /nfs/dbraw/zinc/18/53/75/592185375.db2.gz BKHXVXANWCMNKY-KKOKHZNYSA-N 2 0 242.363 0.333 20 0 BCADRP C[N@H+](C[C@@H]1C[C@@]12CCOC2)C1CC([NH3+])C1 ZINC000886838321 592358157 /nfs/dbraw/zinc/35/81/57/592358157.db2.gz VJEKRDUEJNWNLJ-WNYYMSAVSA-N 2 0 210.321 0.835 20 0 BCADRP CCN(C[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000886846849 592364553 /nfs/dbraw/zinc/36/45/53/592364553.db2.gz PVWIUBDZNHQWOZ-DCAQKATOSA-N 2 0 215.316 0.370 20 0 BCADRP c1nnn2c1C[N@H+](CC[C@@H]1CC[NH2+]C1)CCC2 ZINC000886858302 592369275 /nfs/dbraw/zinc/36/92/75/592369275.db2.gz VQEJROVNINQWAW-NSHDSACASA-N 2 0 235.335 0.483 20 0 BCADRP c1nnn2c1C[N@H+](CC[C@H]1CC[NH2+]C1)CCC2 ZINC000886858301 592369646 /nfs/dbraw/zinc/36/96/46/592369646.db2.gz VQEJROVNINQWAW-LLVKDONJSA-N 2 0 235.335 0.483 20 0 BCADRP c1ncn(CC[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000886872336 592377202 /nfs/dbraw/zinc/37/72/02/592377202.db2.gz PVPCBUGVSISTTE-CYBMUJFWSA-N 2 0 249.362 0.744 20 0 BCADRP CCNC(=[NH2+])NCCC[N@H+](C)C(C)C ZINC000221875306 592455884 /nfs/dbraw/zinc/45/58/84/592455884.db2.gz YBKYYOTVMQBVEY-UHFFFAOYSA-N 2 0 200.330 0.851 20 0 BCADRP C[N@H+](CCCF)CC(=O)NC1CC[NH+](C)CC1 ZINC000887142759 592458348 /nfs/dbraw/zinc/45/83/48/592458348.db2.gz YTYNAQFVZXQALA-UHFFFAOYSA-N 2 0 245.342 0.488 20 0 BCADRP CC[NH+](CC)CCNC(=[NH2+])NCC(F)F ZINC000887346059 592483742 /nfs/dbraw/zinc/48/37/42/592483742.db2.gz OZPXZZYQXVYLJQ-UHFFFAOYSA-N 2 0 222.283 0.707 20 0 BCADRP C[NH+](C)CCCNC(=[NH2+])NCC(F)F ZINC000887345715 592484017 /nfs/dbraw/zinc/48/40/17/592484017.db2.gz AUXXLTKUTVYAHH-UHFFFAOYSA-N 2 0 208.256 0.317 20 0 BCADRP CC[NH+](CC)CCNC(=[NH2+])NCC1CC1 ZINC000887345941 592484132 /nfs/dbraw/zinc/48/41/32/592484132.db2.gz KABMLFUZKKYAGC-UHFFFAOYSA-N 2 0 212.341 0.852 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NCC2CC2)C1 ZINC000887350185 592485329 /nfs/dbraw/zinc/48/53/29/592485329.db2.gz XYWMPPHNYPKZPD-SNVBAGLBSA-N 2 0 210.325 0.462 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NCC2CC2)C1 ZINC000887349800 592485353 /nfs/dbraw/zinc/48/53/53/592485353.db2.gz JJHFDXJUVRVBLE-LLVKDONJSA-N 2 0 224.352 0.852 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NCC2CC2)C1 ZINC000887354028 592486875 /nfs/dbraw/zinc/48/68/75/592486875.db2.gz MZIPFCQACDICKI-LLVKDONJSA-N 2 0 224.352 0.852 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCC2CC2)C1 ZINC000887354029 592487043 /nfs/dbraw/zinc/48/70/43/592487043.db2.gz MZIPFCQACDICKI-NSHDSACASA-N 2 0 224.352 0.852 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CC2CC2)CC[N@@H+]1C ZINC000302708633 592551980 /nfs/dbraw/zinc/55/19/80/592551980.db2.gz XNUOOYHIHAKRRA-USWWRNFRSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+]CC1(CC[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925703044 634379647 /nfs/dbraw/zinc/37/96/47/634379647.db2.gz SHMXBSAGPTXCHM-NSHDSACASA-N 3 0 223.364 0.990 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925703940 634381445 /nfs/dbraw/zinc/38/14/45/634381445.db2.gz WMWXJFBXIFYCCR-JXUBOQSCSA-N 2 0 223.320 0.110 20 0 BCADRP CCC[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925703669 634381494 /nfs/dbraw/zinc/38/14/94/634381494.db2.gz AXBWEWGMQUMBEJ-NWDGAFQWSA-N 2 0 227.352 0.049 20 0 BCADRP C[NH2+]Cc1ccccc1CN[C@@H]1C[NH2+]CCOC1 ZINC000925703929 634381669 /nfs/dbraw/zinc/38/16/69/634381669.db2.gz WFWNYZVXYWVYHP-CQSZACIVSA-N 2 0 249.358 0.484 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000925704970 634384293 /nfs/dbraw/zinc/38/42/93/634384293.db2.gz HBJDDDMTLRCGIP-RCWTZXSCSA-N 2 0 215.316 0.417 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NCCC[NH2+]C1CC1 ZINC000925705464 634385719 /nfs/dbraw/zinc/38/57/19/634385719.db2.gz JDBRMUUDJBKZQN-ZYHUDNBSSA-N 2 0 211.353 0.859 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000925707605 634396221 /nfs/dbraw/zinc/39/62/21/634396221.db2.gz LXZMBKSKKMUAKH-DTWKUNHWSA-N 2 0 233.306 0.714 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925708186 634397986 /nfs/dbraw/zinc/39/79/86/634397986.db2.gz GMIMUFXLCGRTPU-NNYUYHANSA-N 2 0 242.363 0.896 20 0 BCADRP COC[C@@H](CC[NH2+][C@@H]1CC[NH2+]C12CCC2)OC ZINC000925713190 634414351 /nfs/dbraw/zinc/41/43/51/634414351.db2.gz KSMFFSAFMCRNDM-VXGBXAGGSA-N 2 0 242.363 0.912 20 0 BCADRP C[NH2+]C[C@H](C)N[C@H]1CC[NH2+]C12CCCC2 ZINC000925715393 634437568 /nfs/dbraw/zinc/43/75/68/634437568.db2.gz CJCITZUJCYFNIN-QWRGUYRKSA-N 2 0 211.353 0.859 20 0 BCADRP C[NH2+]C[C@H](C)N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925716213 634448164 /nfs/dbraw/zinc/44/81/64/634448164.db2.gz LWKFNTSNXFWSDY-USZNOCQGSA-N 2 0 225.380 0.961 20 0 BCADRP [NH3+][C@H]1C[C@H](NCC23CC(C2)C[NH2+]3)C12CCC2 ZINC000925717634 634454596 /nfs/dbraw/zinc/45/45/96/634454596.db2.gz VLFVXQBOODKLEH-YECOWLKZSA-N 2 0 221.348 0.598 20 0 BCADRP C([C@H]1CCOC1)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000257711174 634477673 /nfs/dbraw/zinc/47/76/73/634477673.db2.gz SXQKSAUOXSKPMD-VXGBXAGGSA-N 2 0 210.321 0.851 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925726707 634522343 /nfs/dbraw/zinc/52/23/43/634522343.db2.gz KCXLXWKAKQRDRB-QCECGRHHSA-N 3 0 221.348 0.310 20 0 BCADRP O=C(NCC1CC[NH2+]CC1)NC1CC[NH2+]CC1 ZINC000258495809 635162838 /nfs/dbraw/zinc/16/28/38/635162838.db2.gz LVEHTJORHGRLKJ-UHFFFAOYSA-N 2 0 240.351 0.037 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652231896 634532755 /nfs/dbraw/zinc/53/27/55/634532755.db2.gz JRPYHPBZRSQPPS-SNVBAGLBSA-N 2 0 240.351 0.119 20 0 BCADRP C[C@H]1CN(C)CCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000227433247 634541581 /nfs/dbraw/zinc/54/15/81/634541581.db2.gz HKPWMHUNBGWCML-CMPLNLGQSA-N 2 0 225.336 0.291 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)CCC[NH2+]C ZINC000236747226 634551979 /nfs/dbraw/zinc/55/19/79/634551979.db2.gz QZIKYCLPLYUJBU-UHFFFAOYSA-N 2 0 215.341 0.620 20 0 BCADRP CC[C@H]([NH2+]C1CC(CC(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000925819989 635396238 /nfs/dbraw/zinc/39/62/38/635396238.db2.gz BDUTVOHZUGUCMK-QQFIATSDSA-N 2 0 239.363 0.761 20 0 BCADRP C(N[C@@H]1C[NH2+]CCOC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840376 635504140 /nfs/dbraw/zinc/50/41/40/635504140.db2.gz VRYZRIXEACGFMR-JHJVBQTASA-N 2 0 239.363 0.097 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CNOC2)[C@H]2CCC[C@@H]21 ZINC000925859217 635554076 /nfs/dbraw/zinc/55/40/76/635554076.db2.gz GGQOSDDEPYNHRY-WYUUTHIRSA-N 2 0 225.336 0.352 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CCO[C@H]1CCOC1 ZINC000925874042 635593628 /nfs/dbraw/zinc/59/36/28/635593628.db2.gz GVPVKUVFXINYNA-RYUDHWBXSA-N 2 0 246.351 0.135 20 0 BCADRP CCOCCOCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000925875188 635597499 /nfs/dbraw/zinc/59/74/99/635597499.db2.gz QEBAHMTZGPCMBL-RYUDHWBXSA-N 2 0 230.352 0.899 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC[NH2+]C(C)(C)C ZINC000236685615 635603980 /nfs/dbraw/zinc/60/39/80/635603980.db2.gz XTPPGQIEJHNXPZ-JTQLQIEISA-N 2 0 229.368 0.864 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000925880543 635608979 /nfs/dbraw/zinc/60/89/79/635608979.db2.gz RTJOSYANKOWHRB-NNYUYHANSA-N 3 0 211.353 0.973 20 0 BCADRP OC[C@H]1CC[NH+]1CCCCC[N@H+]1CC[C@@H]1CO ZINC000934016095 631609462 /nfs/dbraw/zinc/60/94/62/631609462.db2.gz DYPOZGMMIXEUJK-CHWSQXEVSA-N 2 0 242.363 0.290 20 0 BCADRP CC(C)OCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000308806108 631667090 /nfs/dbraw/zinc/66/70/90/631667090.db2.gz FYVGARYRHKBILL-NWDGAFQWSA-N 2 0 212.337 0.953 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000891999582 631696979 /nfs/dbraw/zinc/69/69/79/631696979.db2.gz LSJYIVAGUJSZLK-JTQLQIEISA-N 2 0 242.367 0.413 20 0 BCADRP CC[NH2+]CC(=O)NC(CC)(CC)C[NH3+] ZINC000308883486 631716790 /nfs/dbraw/zinc/71/67/90/631716790.db2.gz VBLYTLAPMPWNTF-UHFFFAOYSA-N 2 0 201.314 0.230 20 0 BCADRP C[C@H]([NH3+])CNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892101927 631730416 /nfs/dbraw/zinc/73/04/16/631730416.db2.gz GTJXBLNYYDGSMF-UWVGGRQHSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892101929 631730940 /nfs/dbraw/zinc/73/09/40/631730940.db2.gz GTJXBLNYYDGSMF-ZJUUUORDSA-N 2 0 242.367 0.411 20 0 BCADRP [NH3+]C/C=C/CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000892122388 631736539 /nfs/dbraw/zinc/73/65/39/631736539.db2.gz OCOPPUUMOYSSDC-VMZHVLLKSA-N 2 0 226.324 0.024 20 0 BCADRP CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001022648105 631740244 /nfs/dbraw/zinc/74/02/44/631740244.db2.gz QKEOSCQVSPZTSG-TXEJJXNPSA-N 2 0 239.363 0.585 20 0 BCADRP CCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])[C@@H]1CC[NH2+]C1 ZINC000892198898 631778157 /nfs/dbraw/zinc/77/81/57/631778157.db2.gz QMSKXHXRPFYQRI-HBNTYKKESA-N 2 0 242.367 0.506 20 0 BCADRP COC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1 ZINC000849004787 631903497 /nfs/dbraw/zinc/90/34/97/631903497.db2.gz ZUGSSHGJPPXZJF-GHMZBOCLSA-N 2 0 242.367 0.477 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]([NH3+])CC1CC1 ZINC000308849927 631918988 /nfs/dbraw/zinc/91/89/88/631918988.db2.gz MNFNGTZKMNPEEW-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000091395010 631959881 /nfs/dbraw/zinc/95/98/81/631959881.db2.gz GDVSWGRFPSCHLH-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CN1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CC1=O ZINC000309258444 631982039 /nfs/dbraw/zinc/98/20/39/631982039.db2.gz BIPOALCSVSYKMX-NSHDSACASA-N 2 0 225.336 0.149 20 0 BCADRP CC(C)C[N@H+](CC[C@H]1CCC[NH2+]C1)CC(N)=O ZINC000051919349 632012858 /nfs/dbraw/zinc/01/28/58/632012858.db2.gz PDZKJNWWGRMZTC-GFCCVEGCSA-N 2 0 241.379 0.819 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000309383863 632022866 /nfs/dbraw/zinc/02/28/66/632022866.db2.gz DTVOBNRYJNETCD-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP CC[NH2+]CCCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000309367124 632023638 /nfs/dbraw/zinc/02/36/38/632023638.db2.gz BKKISIDXWORFAL-SNVBAGLBSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000308871924 632037406 /nfs/dbraw/zinc/03/74/06/632037406.db2.gz SOVNNGKIXRGCRD-GHMZBOCLSA-N 2 0 218.341 0.048 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000161553558 632079538 /nfs/dbraw/zinc/07/95/38/632079538.db2.gz UGNKCEHNNAZJSX-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000161553687 632079565 /nfs/dbraw/zinc/07/95/65/632079565.db2.gz UGNKCEHNNAZJSX-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023086456 632125153 /nfs/dbraw/zinc/12/51/53/632125153.db2.gz MPXPXBBDCWSFCU-SDDRHHMPSA-N 2 0 239.363 0.583 20 0 BCADRP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023090258 632129401 /nfs/dbraw/zinc/12/94/01/632129401.db2.gz LATJHWKNRWVVPO-TXEJJXNPSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000841851780 635796968 /nfs/dbraw/zinc/79/69/68/635796968.db2.gz XGGRQWZZNZBGKG-DCAQKATOSA-N 2 0 242.367 0.506 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157780127 632449344 /nfs/dbraw/zinc/44/93/44/632449344.db2.gz OZLZMOJIMVOWRD-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)CCCCCC[NH3+] ZINC000309019894 632615999 /nfs/dbraw/zinc/61/59/99/632615999.db2.gz WKGAUVDCAQRXHV-SECBINFHSA-N 2 0 201.314 0.359 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(CO)CC2)C1 ZINC000309094526 632638805 /nfs/dbraw/zinc/63/88/05/632638805.db2.gz GBZQXDWEJLVURL-NWDGAFQWSA-N 2 0 212.337 0.818 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)CCCCC[NH3+])C1 ZINC000309772879 632669052 /nfs/dbraw/zinc/66/90/52/632669052.db2.gz KYAILFLACZCOFR-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000310263050 632712118 /nfs/dbraw/zinc/71/21/18/632712118.db2.gz MEMAUXZMXAANSD-UPJWGTAASA-N 2 0 241.379 0.255 20 0 BCADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)C[C@@H](C)[NH2+]1 ZINC000310279379 632713982 /nfs/dbraw/zinc/71/39/82/632713982.db2.gz PDSIQHWDPWMZHT-JHJVBQTASA-N 2 0 241.379 0.125 20 0 BCADRP COC(=O)CCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000310489822 632749008 /nfs/dbraw/zinc/74/90/08/632749008.db2.gz GXHDJUXXTUJHDI-NWDGAFQWSA-N 2 0 240.347 0.823 20 0 BCADRP C1=CC[C@@H]2C[N@@H+](CCN3CC[NH2+]CC3)C[C@@H]2C1 ZINC000310557889 632757804 /nfs/dbraw/zinc/75/78/04/632757804.db2.gz IWXHTNBWSRBZIY-OKILXGFUSA-N 2 0 235.375 0.790 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](CO)CCF ZINC000926655336 632778294 /nfs/dbraw/zinc/77/82/94/632778294.db2.gz MDKLOYHBASBLSP-FBTJUVTCSA-N 2 0 230.327 0.637 20 0 BCADRP [NH2+]=C(NCC[NH+]1CCCCC1)NC1CC1 ZINC000052043896 632782008 /nfs/dbraw/zinc/78/20/08/632782008.db2.gz WKMHBZKMUUDKGB-UHFFFAOYSA-N 2 0 210.325 0.749 20 0 BCADRP CC(C)(C[NH3+])NC(=O)CCCCCC[NH3+] ZINC000309263072 632858810 /nfs/dbraw/zinc/85/88/10/632858810.db2.gz IOXJCRDDZKNSEZ-UHFFFAOYSA-N 2 0 215.341 0.749 20 0 BCADRP CNC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C ZINC000066245054 632859809 /nfs/dbraw/zinc/85/98/09/632859809.db2.gz UOVYMILFEWNGDW-SECBINFHSA-N 2 0 200.330 0.497 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN1CC[NH+](C2CC2)CC1 ZINC000309365866 632979855 /nfs/dbraw/zinc/97/98/55/632979855.db2.gz AJFKHXDUOOMFKR-VIFPVBQESA-N 2 0 233.306 0.749 20 0 BCADRP C[C@@H]([NH3+])CNc1ccc(OCC[NH3+])cc1 ZINC000309467133 633110712 /nfs/dbraw/zinc/11/07/12/633110712.db2.gz QDZWLIDNMMEMDQ-SECBINFHSA-N 2 0 209.293 0.783 20 0 BCADRP CC[NH2+]CCCNC(=O)CCCCC[NH3+] ZINC000309473532 633131274 /nfs/dbraw/zinc/13/12/74/633131274.db2.gz RKYJOTSGSBFLTR-UHFFFAOYSA-N 2 0 215.341 0.621 20 0 BCADRP C[C@@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC000928429999 635913302 /nfs/dbraw/zinc/91/33/02/635913302.db2.gz FAWKZRDLHGACPA-ZYHUDNBSSA-N 2 0 239.363 0.680 20 0 BCADRP CC[N@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC000928432223 635916418 /nfs/dbraw/zinc/91/64/18/635916418.db2.gz CNWHDPLHVZUMJC-ZYHUDNBSSA-N 2 0 239.363 0.680 20 0 BCADRP CC[NH2+]CC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000309734842 633233381 /nfs/dbraw/zinc/23/33/81/633233381.db2.gz CBIWBSHETQWPGF-NSHDSACASA-N 2 0 215.341 0.476 20 0 BCADRP C[C@H](CNC(=O)[C@H]([NH3+])CC1CC1)[N@H+](C)C1CC1 ZINC000310190351 636005176 /nfs/dbraw/zinc/00/51/76/636005176.db2.gz XSKJDSJIUARBSK-BXKDBHETSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C(C)(C)CO ZINC000925119215 636102278 /nfs/dbraw/zinc/10/22/78/636102278.db2.gz WNKGZHLEWDXTJT-LLVKDONJSA-N 2 0 244.379 0.440 20 0 BCADRP C[N@@H+]1CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000928554593 636091070 /nfs/dbraw/zinc/09/10/70/636091070.db2.gz QSCXPRBHUNHFNH-QWRGUYRKSA-N 2 0 225.336 0.149 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)CCCCC[NH3+])C1 ZINC000309772878 633729608 /nfs/dbraw/zinc/72/96/08/633729608.db2.gz KYAILFLACZCOFR-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CC[NH+](C2CCC2)CC1 ZINC000328367488 633758625 /nfs/dbraw/zinc/75/86/25/633758625.db2.gz CSOPWMCJNQVYOU-GFCCVEGCSA-N 2 0 223.364 0.909 20 0 BCADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328444204 633765748 /nfs/dbraw/zinc/76/57/48/633765748.db2.gz NOYKKWULSFJNMN-ARFNZGECSA-N 2 0 238.375 0.979 20 0 BCADRP C[C@H](CCO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328544163 633774053 /nfs/dbraw/zinc/77/40/53/633774053.db2.gz LGWMTSFJKJTVHC-AYAQEJOPSA-N 2 0 210.321 0.343 20 0 BCADRP CC[NH+](CC)CCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328486742 633774597 /nfs/dbraw/zinc/77/45/97/633774597.db2.gz MHOMYYGGHDTECT-MEBFFEOJSA-N 2 0 237.391 0.914 20 0 BCADRP CC[C@H](CCO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328561547 633777257 /nfs/dbraw/zinc/77/72/57/633777257.db2.gz GRPWOVVZOJPBMC-JSAZDUPASA-N 2 0 224.348 0.733 20 0 BCADRP CC(C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001020029043 633805903 /nfs/dbraw/zinc/80/59/03/633805903.db2.gz RXRQHRWFTQUMRT-SRVKXCTJSA-N 2 0 239.363 0.726 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925511430 633852264 /nfs/dbraw/zinc/85/22/64/633852264.db2.gz MVBUKNHEQSQUCY-OUAUKWLOSA-N 2 0 235.335 0.526 20 0 BCADRP C[NH+](C)C1(CN[C@@H]2C[NH2+]CCOC2)CCCC1 ZINC000925518076 633874792 /nfs/dbraw/zinc/87/47/92/633874792.db2.gz ICRGQOVQBLCFLM-GFCCVEGCSA-N 2 0 241.379 0.439 20 0 BCADRP COCC[N@@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925558326 634032962 /nfs/dbraw/zinc/03/29/62/634032962.db2.gz SYWWMOKYMBSRQO-VXGBXAGGSA-N 2 0 241.379 0.437 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000236692361 634095437 /nfs/dbraw/zinc/09/54/37/634095437.db2.gz TXFKHYQAZRRMQC-GHMZBOCLSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)C[C@H](C)[NH2+]1 ZINC000310279377 634105105 /nfs/dbraw/zinc/10/51/05/634105105.db2.gz PDSIQHWDPWMZHT-FRRDWIJNSA-N 2 0 241.379 0.125 20 0 BCADRP C[C@]1(C[NH3+])CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000310325042 634117166 /nfs/dbraw/zinc/11/71/66/634117166.db2.gz AHWICIZRPXENHG-CHWSQXEVSA-N 2 0 241.379 0.114 20 0 BCADRP C[C@]1(C[NH3+])CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000310325052 634117673 /nfs/dbraw/zinc/11/76/73/634117673.db2.gz AHWICIZRPXENHG-QWHCGFSZSA-N 2 0 241.379 0.114 20 0 BCADRP C[NH+](C)C[C@H](O)CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925607170 634136942 /nfs/dbraw/zinc/13/69/42/634136942.db2.gz AGJFSFKJSVRZBM-GRYCIOLGSA-N 2 0 243.395 0.405 20 0 BCADRP C[NH+](C)C[C@H](O)CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925607172 634137178 /nfs/dbraw/zinc/13/71/78/634137178.db2.gz AGJFSFKJSVRZBM-QJPTWQEYSA-N 2 0 243.395 0.405 20 0 BCADRP C[C@@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925613237 634154292 /nfs/dbraw/zinc/15/42/92/634154292.db2.gz BHCYVBVHHINFTB-LPEHRKFASA-N 2 0 200.326 0.863 20 0 BCADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C12CCC2 ZINC000925616600 634163878 /nfs/dbraw/zinc/16/38/78/634163878.db2.gz SEOHBNJGKAWOGH-QCNOEVLYSA-N 2 0 222.332 0.783 20 0 BCADRP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925646381 634201631 /nfs/dbraw/zinc/20/16/31/634201631.db2.gz UJEDKOMDFFPHFN-WGSKYGEUSA-N 2 0 236.359 0.876 20 0 BCADRP O=C1C[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)CN1 ZINC000925684467 634292378 /nfs/dbraw/zinc/29/23/78/634292378.db2.gz BIMRMXAFMHNRNW-QWRGUYRKSA-N 2 0 237.347 0.387 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCNC2=O)C12CCC2 ZINC000925685774 634296617 /nfs/dbraw/zinc/29/66/17/634296617.db2.gz NCZWRFLJQMYANO-HBNTYKKESA-N 2 0 237.347 0.372 20 0 BCADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCCNC2=O)C12CCC2 ZINC000925685775 634297459 /nfs/dbraw/zinc/29/74/59/634297459.db2.gz NCZWRFLJQMYANO-MXWKQRLJSA-N 2 0 237.347 0.372 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H]2CC[NH2+]C2)C1 ZINC000925687771 634304192 /nfs/dbraw/zinc/30/41/92/634304192.db2.gz AZVIPZCSZBGMSG-GMTAPVOTSA-N 2 0 211.353 0.844 20 0 BCADRP CC[NH2+]CCCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925689178 634306663 /nfs/dbraw/zinc/30/66/63/634306663.db2.gz HEFFIKNHZDMVES-MNOVXSKESA-N 2 0 211.353 0.846 20 0 BCADRP CC[NH2+]CCCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925689179 634307292 /nfs/dbraw/zinc/30/72/92/634307292.db2.gz HEFFIKNHZDMVES-QWRGUYRKSA-N 2 0 211.353 0.846 20 0 BCADRP [NH3+][C@H]1C[C@@H](NC2CC[NH2+]CC2)C12CCC2 ZINC000925691862 634319973 /nfs/dbraw/zinc/31/99/73/634319973.db2.gz NFQQNBVVKWYRPA-WDEREUQCSA-N 2 0 209.337 0.598 20 0 BCADRP C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@H]1CCC[NH2+]C1 ZINC000925693595 634329579 /nfs/dbraw/zinc/32/95/79/634329579.db2.gz PRIWKSCLHWKLJH-KQBRZWLDSA-N 2 0 249.402 0.961 20 0 BCADRP C[NH2+]CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925694110 634332350 /nfs/dbraw/zinc/33/23/50/634332350.db2.gz QTKSDERSROVAAP-VWYCJHECSA-N 2 0 211.353 0.572 20 0 BCADRP C[NH2+]CCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925695239 634346615 /nfs/dbraw/zinc/34/66/15/634346615.db2.gz UUGRQWUMPPOGQG-STQMWFEESA-N 2 0 225.380 0.964 20 0 BCADRP CC(C)[C@H]([NH3+])CN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925695716 634348799 /nfs/dbraw/zinc/34/87/99/634348799.db2.gz WCXFKBZKSHWWGR-OUAUKWLOSA-N 2 0 211.353 0.829 20 0 BCADRP CCO[C@@H]1COC[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925695491 634352946 /nfs/dbraw/zinc/35/29/46/634352946.db2.gz XIAIHCIYUQBYME-DDHJBXDOSA-N 2 0 240.347 0.650 20 0 BCADRP CC[NH2+]CCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925696238 634353481 /nfs/dbraw/zinc/35/34/81/634353481.db2.gz YKZIDMJXMACWKF-RNWYCLNJSA-N 2 0 209.337 0.182 20 0 BCADRP O[C@@H]1CCC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925697246 634356894 /nfs/dbraw/zinc/35/68/94/634356894.db2.gz WITAMXZYTZREHN-VRABFAILSA-N 2 0 222.332 0.486 20 0 BCADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ncc[nH]1 ZINC000925697343 634360003 /nfs/dbraw/zinc/36/00/03/634360003.db2.gz DTYAHIRFVVYIBO-VIFPVBQESA-N 2 0 206.293 0.980 20 0 BCADRP [NH3+][C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)C1CC1 ZINC000925698532 634364917 /nfs/dbraw/zinc/36/49/17/634364917.db2.gz KJDBODPBTOELHE-VWYCJHECSA-N 2 0 209.337 0.583 20 0 BCADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CCC[NH2+]C1)[NH2+]2 ZINC000925699175 634365909 /nfs/dbraw/zinc/36/59/09/634365909.db2.gz NQQPCDDRZNTCEB-JZRPKSSGSA-N 2 0 223.364 0.857 20 0 BCADRP CCCC[C@@H](C[NH3+])N[C@H]1C[NH2+]CCOC1 ZINC000925699647 634366859 /nfs/dbraw/zinc/36/68/59/634366859.db2.gz PDBXVIBVIOBUTQ-QWRGUYRKSA-N 2 0 215.341 0.082 20 0 BCADRP C[C@@H]1C[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC[NH2+]1 ZINC000925698963 634366968 /nfs/dbraw/zinc/36/69/68/634366968.db2.gz HYSHNWFDFWKEAC-ZIIDRAPCSA-N 2 0 235.375 0.713 20 0 BCADRP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CC[NH2+]C2)C12CCC2 ZINC000925700075 634367871 /nfs/dbraw/zinc/36/78/71/634367871.db2.gz RILVFUJRXQKINY-GMTAPVOTSA-N 2 0 209.337 0.455 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NCC1=CC[NH2+]CC1 ZINC000925699978 634369165 /nfs/dbraw/zinc/36/91/65/634369165.db2.gz QTHSEVWPWKESRL-ZYHUDNBSSA-N 2 0 209.337 0.636 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC000925777106 635258660 /nfs/dbraw/zinc/25/86/60/635258660.db2.gz LFBKPVOCLJQMRP-GHMZBOCLSA-N 2 0 240.351 0.119 20 0 BCADRP C[C@@H](C[C@H]1COCCN1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925786003 635302223 /nfs/dbraw/zinc/30/22/23/635302223.db2.gz MWINXCOFMZOOAK-VOAKCMCISA-N 2 0 241.379 0.199 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925832870 635474935 /nfs/dbraw/zinc/47/49/35/635474935.db2.gz QNOCYFJRLFIZKP-HGCLJGPKSA-N 2 0 228.336 0.506 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000925873447 635588867 /nfs/dbraw/zinc/58/88/67/635588867.db2.gz AGECSNLSFRENNH-JHJVBQTASA-N 2 0 242.363 0.770 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000925873457 635589960 /nfs/dbraw/zinc/58/99/60/635589960.db2.gz AGECSNLSFRENNH-UPJWGTAASA-N 2 0 242.363 0.770 20 0 BCADRP C[C@H]([NH2+]CCO[C@@H]1CCOC1)[C@@H]1CCC[NH2+]C1 ZINC000925874410 635594352 /nfs/dbraw/zinc/59/43/52/635594352.db2.gz JIZFZAQIGIYQPT-YNEHKIRRSA-N 2 0 242.363 0.770 20 0 BCADRP Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])CC2 ZINC000925893492 635619186 /nfs/dbraw/zinc/61/91/86/635619186.db2.gz OOUQPCUCZPKVNZ-HBNTYKKESA-N 2 0 249.362 0.389 20 0 BCADRP CCC[NH+]1CCC(CNC(=O)[C@H](C)C[NH3+])CC1 ZINC000262329200 636230081 /nfs/dbraw/zinc/23/00/81/636230081.db2.gz GKZYUKOGEKHXJS-LLVKDONJSA-N 2 0 241.379 0.819 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870936599 636383729 /nfs/dbraw/zinc/38/37/29/636383729.db2.gz AACOPPRQCBFHKE-DTORHVGOSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H]1CN(C(=O)CC[NH2+]CC2CC2)C[C@H](C)[NH2+]1 ZINC000870936760 636383833 /nfs/dbraw/zinc/38/38/33/636383833.db2.gz OMSHWBXUXNYFRS-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000870963972 636391595 /nfs/dbraw/zinc/39/15/95/636391595.db2.gz VPOWOTUNOOAVON-SASUGWTJSA-N 2 0 237.347 0.371 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000237357130 636751546 /nfs/dbraw/zinc/75/15/46/636751546.db2.gz NYJPONZHXAHPBW-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP CC[N@H+](CCS(C)(=O)=O)CC1CC[NH2+]CC1 ZINC000086703173 636887733 /nfs/dbraw/zinc/88/77/33/636887733.db2.gz HJOYJPMAJGYAKK-UHFFFAOYSA-N 2 0 248.392 0.353 20 0 BCADRP CC[C@@H]1COC[C@H]1[NH2+]CCC[N@H+](C)CCOC ZINC000924654095 636977564 /nfs/dbraw/zinc/97/75/64/636977564.db2.gz OZMNWPAOMLGCOL-CHWSQXEVSA-N 2 0 244.379 0.969 20 0 BCADRP C[C@H](CC(=O)N(C)[C@H](C)C[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000237504377 637022295 /nfs/dbraw/zinc/02/22/95/637022295.db2.gz BCJMSAAVLPYXNJ-IJLUTSLNSA-N 2 0 241.379 0.818 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1COCCO1 ZINC000924723857 637036309 /nfs/dbraw/zinc/03/63/09/637036309.db2.gz MPKMIVVJGYHLOG-DAAZQVBGSA-N 2 0 240.347 0.332 20 0 BCADRP C[NH+](C)C1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000042166246 637078416 /nfs/dbraw/zinc/07/84/16/637078416.db2.gz VHVUYUGENQEPND-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP COCCC[N@H+](CCOC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000111273367 637098040 /nfs/dbraw/zinc/09/80/40/637098040.db2.gz FYAYVWAYJYEFRF-OLZOCXBDSA-N 2 0 244.379 0.827 20 0 BCADRP CC[NH+]1CCC(N[C@H]2CC[N@H+](C)C2)CC1 ZINC000042543899 637280789 /nfs/dbraw/zinc/28/07/89/637280789.db2.gz SCLIBCJPGXYPDB-LBPRGKRZSA-N 2 0 211.353 0.764 20 0 BCADRP COC[C@@H](O)CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902368218 637296385 /nfs/dbraw/zinc/29/63/85/637296385.db2.gz FNCBAOFOMHBYTR-RYUDHWBXSA-N 2 0 244.379 0.752 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCOCCO)C1 ZINC000902368672 637297103 /nfs/dbraw/zinc/29/71/03/637297103.db2.gz HKHZFYNSAGTGKW-GFCCVEGCSA-N 2 0 244.379 0.753 20 0 BCADRP CN1C[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1=O ZINC000902362808 637299830 /nfs/dbraw/zinc/29/98/30/637299830.db2.gz WEFVISONIMSAEW-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP NOCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000902419627 637303248 /nfs/dbraw/zinc/30/32/48/637303248.db2.gz RZXKMBWWZLTMBI-MNOVXSKESA-N 2 0 213.325 0.483 20 0 BCADRP CC[N@@H+](CCC(N)=O)CC[C@@H]1CC[NH2+]C1 ZINC000903577246 637374435 /nfs/dbraw/zinc/37/44/35/637374435.db2.gz HMMYQOZMBQWFBF-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000903461621 637363193 /nfs/dbraw/zinc/36/31/93/637363193.db2.gz WHFKYBWBHPLPQF-NOOOWODRSA-N 2 0 211.353 0.654 20 0 BCADRP C[C@@H]1CCN(C[C@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000903463907 637364009 /nfs/dbraw/zinc/36/40/09/637364009.db2.gz RWLSFTAATQQWAN-UTUOFQBUSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000903463657 637364712 /nfs/dbraw/zinc/36/47/12/637364712.db2.gz IHRQFWXCDYLRRQ-MROQNXINSA-N 2 0 224.348 0.810 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000903463660 637365054 /nfs/dbraw/zinc/36/50/54/637365054.db2.gz IHRQFWXCDYLRRQ-YVECIDJPSA-N 2 0 224.348 0.810 20 0 BCADRP CC1(C)CN(C[C@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000903551766 637371580 /nfs/dbraw/zinc/37/15/80/637371580.db2.gz YBDVPUFTYJRCSF-WDEREUQCSA-N 2 0 211.353 0.655 20 0 BCADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+]1CCSCC1 ZINC000903722968 637379337 /nfs/dbraw/zinc/37/93/37/637379337.db2.gz FNHDMYKARHWYGX-RYUDHWBXSA-N 2 0 242.388 0.804 20 0 BCADRP COCCC[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903726200 637379839 /nfs/dbraw/zinc/37/98/39/637379839.db2.gz KMPFCEJQRFIUOK-OLZOCXBDSA-N 2 0 242.363 0.723 20 0 BCADRP COCC[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722884 637379904 /nfs/dbraw/zinc/37/99/04/637379904.db2.gz FCKABJYDNAMZSL-NWDGAFQWSA-N 2 0 228.336 0.333 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000903788587 637381246 /nfs/dbraw/zinc/38/12/46/637381246.db2.gz OHKJPCYZMRQVBR-WDEREUQCSA-N 2 0 230.352 0.565 20 0 BCADRP [NH3+][C@H]1C[C@@H](CN2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000904429473 637397474 /nfs/dbraw/zinc/39/74/74/637397474.db2.gz ITBLWIOGOHPZJV-FRRDWIJNSA-N 2 0 223.364 0.942 20 0 BCADRP NOCCC[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000904458506 637420759 /nfs/dbraw/zinc/42/07/59/637420759.db2.gz XXGDMMUBXWPGKR-UHFFFAOYSA-N 2 0 235.331 0.702 20 0 BCADRP C[C@H]1C[C@@H](C[NH2+]CCCON)CC[NH2+]1 ZINC000904458263 637420868 /nfs/dbraw/zinc/42/08/68/637420868.db2.gz WGBZJQGRQNEGIN-UWVGGRQHSA-N 2 0 201.314 0.245 20 0 BCADRP N[C@@H]1c2ccccc2C[C@H]1[NH2+]C1CC(C[NH3+])C1 ZINC000904458106 637421275 /nfs/dbraw/zinc/42/12/75/637421275.db2.gz BHYPISLTRBEPJK-NZPNUOCISA-N 2 0 231.343 0.938 20 0 BCADRP CC[N@H+](CCC(=O)NC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000904469467 637423321 /nfs/dbraw/zinc/42/33/21/637423321.db2.gz MZJJPNHYOCZPJZ-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000904916578 637522746 /nfs/dbraw/zinc/52/27/46/637522746.db2.gz JFQUSWYCKCKKDO-RYUDHWBXSA-N 2 0 229.368 0.994 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000904918785 637524415 /nfs/dbraw/zinc/52/44/15/637524415.db2.gz JZHUPQXTHWFRQO-ZYHUDNBSSA-N 2 0 227.352 0.844 20 0 BCADRP C[C@@H](Cn1ccnc1)[NH2+]C[C@](C)(O)C(F)F ZINC000905047986 637565812 /nfs/dbraw/zinc/56/58/12/637565812.db2.gz WDTGHLNPDTUADJ-WPRPVWTQSA-N 2 0 233.262 0.877 20 0 BCADRP CC(C)N(C)Cc1cn(C[C@@H](C)[NH3+])nn1 ZINC000905059879 637591861 /nfs/dbraw/zinc/59/18/61/637591861.db2.gz XXUIVLIGNUKOKH-SECBINFHSA-N 2 0 211.313 0.466 20 0 BCADRP [NH3+]C1CC(Cc2nc([C@H]3CCC[NH2+]3)no2)C1 ZINC000905304230 637761741 /nfs/dbraw/zinc/76/17/41/637761741.db2.gz JHKMXFQAZQCWDF-AMDVSUOASA-N 2 0 222.292 0.774 20 0 BCADRP C1C[NH2+][C@H](c2noc([C@@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)C1 ZINC000905304894 637763194 /nfs/dbraw/zinc/76/31/94/637763194.db2.gz NPZXKHSGHBIEQJ-XFWSIPNHSA-N 2 0 234.303 0.817 20 0 BCADRP C[NH2+][C@@H](C)Cc1noc([C@H]2C[NH2+]CC2(C)C)n1 ZINC000905305919 637764179 /nfs/dbraw/zinc/76/41/79/637764179.db2.gz ZYCLTCDEQMEMLP-DTWKUNHWSA-N 2 0 238.335 0.933 20 0 BCADRP [NH3+][C@H]1C[C@H](c2nc(CC3CC[NH2+]CC3)no2)C1 ZINC000905307950 637766013 /nfs/dbraw/zinc/76/60/13/637766013.db2.gz BPGDZABDCDARQW-MGCOHNPYSA-N 2 0 236.319 0.816 20 0 BCADRP CC1([NH+]2CCC2)CCC([NH2+]CCC(N)=O)CC1 ZINC000905601302 637852475 /nfs/dbraw/zinc/85/24/75/637852475.db2.gz PUPWBHAZWCZORC-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@@H]1[C@@H](NC(=S)NCC[NH+](C)C)CC[N@@H+]1C ZINC000905647636 637881750 /nfs/dbraw/zinc/88/17/50/637881750.db2.gz KPRJWYSWZNZELS-ZJUUUORDSA-N 2 0 244.408 0.105 20 0 BCADRP C[C@@H]1[C@H](NC(=S)NCC[NH+](C)C)CC[N@@H+]1C ZINC000905647630 637882360 /nfs/dbraw/zinc/88/23/60/637882360.db2.gz KPRJWYSWZNZELS-NXEZZACHSA-N 2 0 244.408 0.105 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000906091976 638048294 /nfs/dbraw/zinc/04/82/94/638048294.db2.gz RJSASJYUNOAJFW-GMTAPVOTSA-N 2 0 227.352 0.617 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000906092020 638048516 /nfs/dbraw/zinc/04/85/16/638048516.db2.gz SCVXTOXHTFCQNP-GMTAPVOTSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000906092192 638048827 /nfs/dbraw/zinc/04/88/27/638048827.db2.gz UPIPMFDCNKRXJO-DJLDLDEBSA-N 2 0 201.314 0.212 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000906091974 638049564 /nfs/dbraw/zinc/04/95/64/638049564.db2.gz RJSASJYUNOAJFW-GARJFASQSA-N 2 0 227.352 0.617 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000906092313 638052023 /nfs/dbraw/zinc/05/20/23/638052023.db2.gz KURLBDPVAZLQPB-UTUOFQBUSA-N 2 0 239.363 0.570 20 0 BCADRP CN(C(=O)CC[NH2+]C1CC1)c1cc(C[NH3+])ccn1 ZINC000906228383 638121379 /nfs/dbraw/zinc/12/13/79/638121379.db2.gz WNQWADKTUMMDES-UHFFFAOYSA-N 2 0 248.330 0.645 20 0 BCADRP COC(=O)c1ccc(CNC2CC([NH3+])C2)[nH]1 ZINC000906510037 638181851 /nfs/dbraw/zinc/18/18/51/638181851.db2.gz LKIJZVHAEZBBNX-UHFFFAOYSA-N 2 0 223.276 0.381 20 0 BCADRP O=C(NCC[N@H+]1CC=CCC1)C12CC[NH+](CC1)C2 ZINC000907888684 638500341 /nfs/dbraw/zinc/50/03/41/638500341.db2.gz XTKUBEKPKMMFJR-UHFFFAOYSA-N 2 0 249.358 0.460 20 0 BCADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH+](C)C ZINC000908347330 638659977 /nfs/dbraw/zinc/65/99/77/638659977.db2.gz PESGNROCZROGFU-NSHDSACASA-N 2 0 239.363 0.396 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)[NH+](C)C ZINC000908349728 638660708 /nfs/dbraw/zinc/66/07/08/638660708.db2.gz SSPBDLUECQIRPY-SRVKXCTJSA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)[NH+](C)C ZINC000908349729 638662425 /nfs/dbraw/zinc/66/24/25/638662425.db2.gz SSPBDLUECQIRPY-WOPDTQHZSA-N 2 0 239.363 0.489 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+](C)C)[C@H](C)C1 ZINC000910264723 639397366 /nfs/dbraw/zinc/39/73/66/639397366.db2.gz BOFPDFFIFNEBRZ-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CCC([NH3+])CC1 ZINC000911619934 639682472 /nfs/dbraw/zinc/68/24/72/639682472.db2.gz MSSZNPDOMGHHMK-LLVKDONJSA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911621824 639682715 /nfs/dbraw/zinc/68/27/15/639682715.db2.gz BRTYXPSUAVUMGP-GHMZBOCLSA-N 2 0 227.352 0.700 20 0 BCADRP [NH3+]C1CCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)CC1 ZINC000911619241 639683850 /nfs/dbraw/zinc/68/38/50/639683850.db2.gz GSHVBCVIMDDQBM-SKDRFNHKSA-N 2 0 223.320 0.078 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000911625354 639687082 /nfs/dbraw/zinc/68/70/82/639687082.db2.gz VPOVIYBOZHKWGS-MXWKQRLJSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]CCCSCCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000911625803 639687815 /nfs/dbraw/zinc/68/78/15/639687815.db2.gz YZXAMHVEWLVOME-JTQLQIEISA-N 2 0 245.392 0.408 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)c2ccccc2C[NH3+])C1 ZINC000911659575 639692923 /nfs/dbraw/zinc/69/29/23/639692923.db2.gz CVHKZDHQQJWBNC-LLVKDONJSA-N 2 0 233.315 0.579 20 0 BCADRP O=C(NCC1CC[NH2+]CC1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911671924 639696890 /nfs/dbraw/zinc/69/68/90/639696890.db2.gz FDSLIGSLHATNRG-QJPTWQEYSA-N 2 0 237.347 0.243 20 0 BCADRP C[NH+](C)C1(C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000911671127 639697225 /nfs/dbraw/zinc/69/72/25/639697225.db2.gz WVZKONOUKMSDMZ-UHFFFAOYSA-N 2 0 225.336 0.278 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911671016 639697500 /nfs/dbraw/zinc/69/75/00/639697500.db2.gz UNBWVAKRANDVCB-QJPTWQEYSA-N 2 0 237.347 0.324 20 0 BCADRP C[NH+](C)C1(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000911647148 639698503 /nfs/dbraw/zinc/69/85/03/639698503.db2.gz RJBBMAJWAXQLQA-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911672120 639698679 /nfs/dbraw/zinc/69/86/79/639698679.db2.gz AOZVNZVXRAQPGZ-GMTAPVOTSA-N 2 0 225.336 0.100 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911672379 639699424 /nfs/dbraw/zinc/69/94/24/639699424.db2.gz DDXINERUTZRZMW-WCQYABFASA-N 2 0 241.379 0.866 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)c1 ZINC000911647643 639702159 /nfs/dbraw/zinc/70/21/59/639702159.db2.gz DOKZOMIJCYBZGP-AGIUHOORSA-N 2 0 245.326 0.939 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH3+] ZINC000911647492 639702610 /nfs/dbraw/zinc/70/26/10/639702610.db2.gz DIBLJYSNGNRBRO-SNVBAGLBSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)NCCC[NH3+] ZINC000911648642 639703721 /nfs/dbraw/zinc/70/37/21/639703721.db2.gz RLPYKLBKDDOZMD-SECBINFHSA-N 2 0 201.314 0.215 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)NCCC[NH3+] ZINC000911648643 639704520 /nfs/dbraw/zinc/70/45/20/639704520.db2.gz RLPYKLBKDDOZMD-VIFPVBQESA-N 2 0 201.314 0.215 20 0 BCADRP Cc1ncc2n1C[C@@H](C(=O)N1CC[NH2+]CC1)CC2 ZINC000911648423 639704673 /nfs/dbraw/zinc/70/46/73/639704673.db2.gz IUISFEZGGXIUHY-NSHDSACASA-N 2 0 248.330 0.186 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])C(=O)NCCC[NH3+] ZINC000911648997 639704713 /nfs/dbraw/zinc/70/47/13/639704713.db2.gz YRDFCENMJVXUEH-NSHDSACASA-N 2 0 215.341 0.463 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000911652793 639710250 /nfs/dbraw/zinc/71/02/50/639710250.db2.gz YXPGXKIBSSUSHE-RKDXNWHRSA-N 2 0 213.325 0.310 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911652382 639710474 /nfs/dbraw/zinc/71/04/74/639710474.db2.gz PWRSKOURODOWBG-AEJSXWLSSA-N 2 0 213.325 0.310 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@](C)(C[NH3+])CC(C)C)C1 ZINC000911654940 639710529 /nfs/dbraw/zinc/71/05/29/639710529.db2.gz DKTCOTJJGLBTTG-DGCLKSJQSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)CCSCCC[NH3+])C1 ZINC000911656391 639711464 /nfs/dbraw/zinc/71/14/64/639711464.db2.gz MKRUVAWOEYPJAD-SNVBAGLBSA-N 2 0 245.392 0.279 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000911674836 639713779 /nfs/dbraw/zinc/71/37/79/639713779.db2.gz XLIDUXYGRVKCSS-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C23CCC(CC2)[NH2+]3)C1 ZINC000911657469 639714405 /nfs/dbraw/zinc/71/44/05/639714405.db2.gz UTIJLFWPZZIGJT-SQLBVSGCSA-N 2 0 223.320 0.091 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C[C@@H]([NH3+])C(C)(C)C)C1 ZINC000911657749 639715391 /nfs/dbraw/zinc/71/53/91/639715391.db2.gz YWNRTWGSKSAYCT-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911674991 639715418 /nfs/dbraw/zinc/71/54/18/639715418.db2.gz ZGGXQDVMQGWLSU-NEPJUHHUSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000911675753 639716449 /nfs/dbraw/zinc/71/64/49/639716449.db2.gz FJCJIOCNLAKUQQ-NSHDSACASA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+]CCCNC(=O)c1ccc2c(n1)C[NH2+]CC2 ZINC000911676813 639716640 /nfs/dbraw/zinc/71/66/40/639716640.db2.gz LEKOBSOYFSKSOZ-UHFFFAOYSA-N 2 0 248.330 0.067 20 0 BCADRP C[NH2+]CCCNC(=O)C(F)(F)C1CC[NH2+]CC1 ZINC000911676872 639718581 /nfs/dbraw/zinc/71/85/81/639718581.db2.gz NEPHQNXIOBQXSM-UHFFFAOYSA-N 2 0 249.305 0.347 20 0 BCADRP C[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911683488 639723187 /nfs/dbraw/zinc/72/31/87/639723187.db2.gz XPSDAMVLTHPXFF-GHMZBOCLSA-N 2 0 233.315 0.939 20 0 BCADRP CC[NH2+]CCCNC(=O)C1([NH+](C)C)CC1 ZINC000911684735 639726312 /nfs/dbraw/zinc/72/63/12/639726312.db2.gz HVHAQAWIJIXNQW-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP CC[NH2+]CCCNC(=O)C[C@H]([NH3+])CC(C)C ZINC000911688709 639726813 /nfs/dbraw/zinc/72/68/13/639726813.db2.gz UHMAVJKJMRYKMV-LLVKDONJSA-N 2 0 229.368 0.866 20 0 BCADRP CC[NH2+]CCCNC(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911688335 639728409 /nfs/dbraw/zinc/72/84/09/639728409.db2.gz MYBHYUFRBZFDNS-JTQLQIEISA-N 2 0 229.368 0.866 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]C1 ZINC000911698420 639733109 /nfs/dbraw/zinc/73/31/09/639733109.db2.gz HFXHPNBQTPDTNK-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP O=C(NC[C@H]1CCCC[NH2+]1)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911712641 639740166 /nfs/dbraw/zinc/74/01/66/639740166.db2.gz CJTFCLRFUHHXOG-WZRBSPASSA-N 2 0 237.347 0.387 20 0 BCADRP C[C@@H](NC(=O)C1([NH+](C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000911719715 639743288 /nfs/dbraw/zinc/74/32/88/639743288.db2.gz OASJOTGJEIYWJC-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)C1=CCC[NH2+]CC1 ZINC000911723099 639745040 /nfs/dbraw/zinc/74/50/40/639745040.db2.gz YFZBRUKVQFGFTF-LBPRGKRZSA-N 2 0 237.347 0.636 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911723365 639748392 /nfs/dbraw/zinc/74/83/92/639748392.db2.gz AJCTVICUWIJIJM-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000911724830 639751209 /nfs/dbraw/zinc/75/12/09/639751209.db2.gz GVVDUABVUDPENU-NQBHXWOUSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C ZINC000911725805 639751343 /nfs/dbraw/zinc/75/13/43/639751343.db2.gz YIPIJEJJLGWKHZ-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)CCSCCC[NH3+] ZINC000911725578 639752223 /nfs/dbraw/zinc/75/22/23/639752223.db2.gz WZGCVNCKWDBXNQ-SNVBAGLBSA-N 2 0 245.392 0.279 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000911707302 639759452 /nfs/dbraw/zinc/75/94/52/639759452.db2.gz LNRAZFCHIYGNJP-KPPDAEKUSA-N 2 0 225.336 0.182 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911706094 639760410 /nfs/dbraw/zinc/76/04/10/639760410.db2.gz CRBLNTGWJITNLE-WZRBSPASSA-N 2 0 237.347 0.244 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]C1)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911706093 639760843 /nfs/dbraw/zinc/76/08/43/639760843.db2.gz CRBLNTGWJITNLE-LOWVWBTDSA-N 2 0 237.347 0.244 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)C23CCC(CC2)[NH2+]3)C1 ZINC000911734627 639761883 /nfs/dbraw/zinc/76/18/83/639761883.db2.gz OYMKGYPGRVWCBL-GRZMOONWSA-N 2 0 223.320 0.078 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]([NH3+])CC(C)C)C1 ZINC000911735814 639762200 /nfs/dbraw/zinc/76/22/00/639762200.db2.gz MPNJFIYNYYKVBA-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911737864 639765431 /nfs/dbraw/zinc/76/54/31/639765431.db2.gz DAUCJXQPOGNTPN-GARJFASQSA-N 2 0 227.352 0.557 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000911739916 639767620 /nfs/dbraw/zinc/76/76/20/639767620.db2.gz DEPVFLHLDRNPEE-GUBZILKMSA-N 2 0 215.341 0.603 20 0 BCADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000911740601 639769245 /nfs/dbraw/zinc/76/92/45/639769245.db2.gz MPJXNTGMLBSXBW-WDEREUQCSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)CC(C)(C)C[NH3+] ZINC000911740705 639769699 /nfs/dbraw/zinc/76/96/99/639769699.db2.gz OPMMSUUWCUEARK-QMMMGPOBSA-N 2 0 201.314 0.215 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@]12CC[NH2+][C@H]1CCCC2 ZINC000911746725 639771027 /nfs/dbraw/zinc/77/10/27/639771027.db2.gz WRPPLWSWJVWTLJ-GMXVVIOVSA-N 2 0 239.363 0.762 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]([NH3+])C[C@@H](C)CC ZINC000911751033 639776753 /nfs/dbraw/zinc/77/67/53/639776753.db2.gz TUGUJXQOLIUCHR-VHSXEESVSA-N 2 0 215.341 0.476 20 0 BCADRP C[NH2+]C1(C(=O)N2CCC([C@H](C)[NH3+])CC2)CCC1 ZINC000911752162 639779927 /nfs/dbraw/zinc/77/99/27/639779927.db2.gz AEQFDYNOAQORDX-JTQLQIEISA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[C@H](C(=O)NCC[NH2+]C2CC2)CC[NH2+]1 ZINC000911751656 639780071 /nfs/dbraw/zinc/78/00/71/639780071.db2.gz ADXNLZKJKAMDNK-NXEZZACHSA-N 2 0 225.336 0.243 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911753456 639780720 /nfs/dbraw/zinc/78/07/20/639780720.db2.gz CHNDOJAMXQULLK-MNOVXSKESA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]Cc1ccccc1C(=O)NCC[NH2+]C1CC1 ZINC000911754033 639780755 /nfs/dbraw/zinc/78/07/55/639780755.db2.gz HKBUFGSFJVUVFT-UHFFFAOYSA-N 2 0 233.315 0.627 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000911754273 639784724 /nfs/dbraw/zinc/78/47/24/639784724.db2.gz UCPDEAFLOQTEEI-JTQLQIEISA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)NC(C)(C)C[NH3+] ZINC000911762064 639788474 /nfs/dbraw/zinc/78/84/74/639788474.db2.gz KVFWWLLLYZSXDQ-BDAKNGLRSA-N 2 0 215.341 0.603 20 0 BCADRP CCCN(C(=O)CC(C)(C)C[NH3+])[C@H]1CC[NH2+]C1 ZINC000911766973 639793239 /nfs/dbraw/zinc/79/32/39/639793239.db2.gz ILFLDNHMQYTUHH-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)CC(C)(C)C[NH3+])C1 ZINC000911773633 639795729 /nfs/dbraw/zinc/79/57/29/639795729.db2.gz FIAQBJNRFLCOGW-SNVBAGLBSA-N 2 0 227.352 0.429 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]([NH3+])C(C)(C)C)C1 ZINC000911774751 639796376 /nfs/dbraw/zinc/79/63/76/639796376.db2.gz MRSMPOYFHZZJIU-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911774034 639796467 /nfs/dbraw/zinc/79/64/67/639796467.db2.gz GLOCPVCUSMBCMM-GRYCIOLGSA-N 2 0 239.363 0.348 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC000911776671 639797464 /nfs/dbraw/zinc/79/74/64/639797464.db2.gz CTHWEXCUOFUFIN-GHMZBOCLSA-N 2 0 225.336 0.039 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911788876 639805081 /nfs/dbraw/zinc/80/50/81/639805081.db2.gz SHAZPHISFRVDFX-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP CN(C(=O)C[C@@H]([NH3+])C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000911787169 639805484 /nfs/dbraw/zinc/80/54/84/639805484.db2.gz HUBUMADTYWBSLQ-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCC([NH2+]C)CC1 ZINC000911787817 639805618 /nfs/dbraw/zinc/80/56/18/639805618.db2.gz VULOJFOBHBKZAL-CMPLNLGQSA-N 2 0 241.379 0.960 20 0 BCADRP CN(C(=O)CC(C)(C)C[NH3+])[C@@H]1CC[NH2+]C1 ZINC000911788370 639806028 /nfs/dbraw/zinc/80/60/28/639806028.db2.gz PUXJGZUFMJWZHJ-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]C1CCN(C(=O)C[C@H]([NH3+])CC(C)C)CC1 ZINC000911786896 639806039 /nfs/dbraw/zinc/80/60/39/639806039.db2.gz JKRZWQLXCLMPIN-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]C1CCN(C(=O)C[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000911787829 639806233 /nfs/dbraw/zinc/80/62/33/639806233.db2.gz WIFZZDRUWZITQE-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+]1CCC[C@@H]1CN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000930543813 639808399 /nfs/dbraw/zinc/80/83/99/639808399.db2.gz GUJARTOPKBMCGI-UPJWGTAASA-N 2 0 223.364 0.717 20 0 BCADRP C[C@@H]1CN(C(=O)CC2CC([NH3+])C2)C[C@H](C)[NH2+]1 ZINC000911796612 639808540 /nfs/dbraw/zinc/80/85/40/639808540.db2.gz NTEPUTSYMSDSBL-IXBNRNDTSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccccc2C[NH3+])C[C@@H](C)[NH2+]1 ZINC000911795720 639808669 /nfs/dbraw/zinc/80/86/69/639808669.db2.gz KUISYYGHJAFFJN-GHMZBOCLSA-N 2 0 247.342 0.968 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911799012 639820495 /nfs/dbraw/zinc/82/04/95/639820495.db2.gz FLYZGTNJUHZUNE-KOLCDFICSA-N 2 0 245.392 0.310 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000911798851 639820916 /nfs/dbraw/zinc/82/09/16/639820916.db2.gz XHMFPAAGKWVXKK-NNYUYHANSA-N 2 0 241.379 0.959 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911801646 639824457 /nfs/dbraw/zinc/82/44/57/639824457.db2.gz FJRQUYNXJPMFBE-NDMJEZRESA-N 2 0 241.379 0.994 20 0 BCADRP C[C@](C[NH3+])(NC(=O)C1=CCC[NH2+]CC1)C1CC1 ZINC000911802896 639824673 /nfs/dbraw/zinc/82/46/73/639824673.db2.gz MHNQADLAXGZNNV-CYBMUJFWSA-N 2 0 237.347 0.540 20 0 BCADRP C[C@@H]1C[C@H](C(=O)N[C@@](C)(C[NH3+])C2CC2)CC[NH2+]1 ZINC000911804112 639826286 /nfs/dbraw/zinc/82/62/86/639826286.db2.gz ZVKIRYSTGUFENQ-BREBYQMCSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000911812793 639834745 /nfs/dbraw/zinc/83/47/45/639834745.db2.gz JBMJUKMLCYJRQM-VHSXEESVSA-N 2 0 215.341 0.556 20 0 BCADRP C[NH2+]C1(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CCC1 ZINC000911824426 639837922 /nfs/dbraw/zinc/83/79/22/639837922.db2.gz NVXBKDCHWUOKMW-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000911826394 639838624 /nfs/dbraw/zinc/83/86/24/639838624.db2.gz RYPLHIFARKWAIY-QKEWWQLBSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1CN(C(=O)C23CCC(CC2)[NH2+]3)CC[C@H]1[NH3+] ZINC000911827977 639838902 /nfs/dbraw/zinc/83/89/02/639838902.db2.gz YMQSCNOXNWYXLQ-YLXHPXFOSA-N 2 0 237.347 0.467 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CCSCCC[NH3+] ZINC000911829050 639841326 /nfs/dbraw/zinc/84/13/26/639841326.db2.gz GUGNXGDANQKRIF-SNVBAGLBSA-N 2 0 247.408 0.558 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)NC[C@@H]([NH3+])C(C)C ZINC000911830064 639841444 /nfs/dbraw/zinc/84/14/44/639841444.db2.gz OFKWIYQBNBZTAD-GHMZBOCLSA-N 2 0 229.368 0.849 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911831065 639842989 /nfs/dbraw/zinc/84/29/89/639842989.db2.gz CBPOWVXRPGXOLG-MPPDQPJWSA-N 2 0 239.363 0.332 20 0 BCADRP C[NH2+]C1CC(C(=O)N[C@](C)(C[NH3+])C(C)C)C1 ZINC000911833194 639843683 /nfs/dbraw/zinc/84/36/83/639843683.db2.gz HTWRQAUGGPMREH-RTYFJBAXSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000911833039 639844360 /nfs/dbraw/zinc/84/43/60/639844360.db2.gz YANFFXRKVBYFML-GMTAPVOTSA-N 2 0 227.352 0.332 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911834311 639845259 /nfs/dbraw/zinc/84/52/59/639845259.db2.gz POLGNGAIQVSEIP-UWVGGRQHSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000911833898 639845393 /nfs/dbraw/zinc/84/53/93/639845393.db2.gz LRKABXLYPJMYSC-GHMZBOCLSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911834313 639845731 /nfs/dbraw/zinc/84/57/31/639845731.db2.gz POLGNGAIQVSEIP-VHSXEESVSA-N 2 0 227.352 0.603 20 0 BCADRP C[NH2+]C1(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CCC1 ZINC000911816371 639848440 /nfs/dbraw/zinc/84/84/40/639848440.db2.gz BNXBURGCNWWLNJ-VHSXEESVSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000911817074 639849199 /nfs/dbraw/zinc/84/91/99/639849199.db2.gz AORNJXXYUCFUOE-UTUOFQBUSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C1=CCC[NH2+]CC1 ZINC000911817510 639850247 /nfs/dbraw/zinc/85/02/47/639850247.db2.gz DSXWOHRIVGILPT-LBPRGKRZSA-N 2 0 239.363 0.786 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C1([NH+](C)C)CC1 ZINC000911864624 639851952 /nfs/dbraw/zinc/85/19/52/639851952.db2.gz KTWXWOAVDSUTSR-UHFFFAOYSA-N 2 0 227.352 0.524 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000911868134 639853211 /nfs/dbraw/zinc/85/32/11/639853211.db2.gz MVQUJUQFRVALGV-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000911869529 639853597 /nfs/dbraw/zinc/85/35/97/639853597.db2.gz WMIHKBSJNMQOAL-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]C1CC(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)C1 ZINC000911872299 639854827 /nfs/dbraw/zinc/85/48/27/639854827.db2.gz XXGVWPFSCWDAFS-HTAVTVPLSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)([NH3+])CNC(=O)C1=CCC[NH2+]CC1 ZINC000911845700 639855390 /nfs/dbraw/zinc/85/53/90/639855390.db2.gz KOUUHMMQFDFFJH-UHFFFAOYSA-N 2 0 211.309 0.150 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911855387 639860251 /nfs/dbraw/zinc/86/02/51/639860251.db2.gz JLELBPJSJGXZET-GWCFXTLKSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2C[C@@H]2C[NH3+])cc1 ZINC000911856287 639860354 /nfs/dbraw/zinc/86/03/54/639860354.db2.gz OTQMJVMSEGKYQX-OASPWFOLSA-N 2 0 247.342 0.917 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C1CC([NH2+]C)C1 ZINC000911878433 639864479 /nfs/dbraw/zinc/86/44/79/639864479.db2.gz GAJPBFAJRZYLSP-YVNMAJEFSA-N 2 0 227.352 0.618 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C12CCC(CC1)[NH2+]2 ZINC000911879141 639864658 /nfs/dbraw/zinc/86/46/58/639864658.db2.gz DJLVQZWWYFLKIE-QWKFWESOSA-N 2 0 239.363 0.905 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911878483 639865642 /nfs/dbraw/zinc/86/56/42/639865642.db2.gz HHVUVBUAZOPRSP-USZNOCQGSA-N 2 0 239.363 0.476 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911882290 639866419 /nfs/dbraw/zinc/86/64/19/639866419.db2.gz VDLOWZSFRQYTSJ-IRCOFANPSA-N 2 0 239.363 0.761 20 0 BCADRP C[NH+](C)C[C@]1(O)CCCN(CCOC2CC2)C1 ZINC000930904972 639977918 /nfs/dbraw/zinc/97/79/18/639977918.db2.gz XKGHYFAQMAIXEA-CYBMUJFWSA-N 2 0 242.363 0.554 20 0 BCADRP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH+](C)C ZINC000912389894 640048858 /nfs/dbraw/zinc/04/88/58/640048858.db2.gz HLSRDLFFZXROIG-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)[C@@H]1[C@H]2CN(C[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC000931277051 640125687 /nfs/dbraw/zinc/12/56/87/640125687.db2.gz GVDTVAOLUMXRCJ-NDBYEHHHSA-N 2 0 223.364 0.572 20 0 BCADRP CO[C@@H](C)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436038 640201619 /nfs/dbraw/zinc/20/16/19/640201619.db2.gz JZBDYXNRHJQAQH-SDDRHHMPSA-N 2 0 212.337 0.905 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCOC3=O)C[C@@H]2C1 ZINC000931433579 640203231 /nfs/dbraw/zinc/20/32/31/640203231.db2.gz CSIQCXWFCGKTDU-VWYCJHECSA-N 2 0 224.304 0.185 20 0 BCADRP Cn1cc(CC[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)nn1 ZINC000931441451 640205606 /nfs/dbraw/zinc/20/56/06/640205606.db2.gz ITKIFLGXACQHKI-NEPJUHHUSA-N 2 0 249.362 0.241 20 0 BCADRP C[C@H](C(=O)N1CCC([NH+]2CCC2)CC1)[NH+](C)C ZINC000912868363 640230186 /nfs/dbraw/zinc/23/01/86/640230186.db2.gz AGZWNKXFUBOIDK-LLVKDONJSA-N 2 0 239.363 0.633 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912917663 640241923 /nfs/dbraw/zinc/24/19/23/640241923.db2.gz LEIWJVAMEUETQD-LBPRGKRZSA-N 2 0 239.363 0.635 20 0 BCADRP Cc1cncn1CC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912902101 640246508 /nfs/dbraw/zinc/24/65/08/640246508.db2.gz DIJOKWJTVRTWKY-GFCCVEGCSA-N 2 0 248.330 0.498 20 0 BCADRP C[C@@H](C(=O)N1CCC(C)([NH+](C)C)CC1)[NH+](C)C ZINC000913391281 640362599 /nfs/dbraw/zinc/36/25/99/640362599.db2.gz GRZHUORPAPXJQP-NSHDSACASA-N 2 0 241.379 0.879 20 0 BCADRP CC(C)NC(=O)[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000044518291 640399450 /nfs/dbraw/zinc/39/94/50/640399450.db2.gz TXXOMZUTAPVJQF-LLVKDONJSA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH2+]CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000044646679 640445281 /nfs/dbraw/zinc/44/52/81/640445281.db2.gz UMZUJSCZQLLVQL-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP CC[NH2+]CC(=O)NCC1CC[NH+](C)CC1 ZINC000044651685 640447862 /nfs/dbraw/zinc/44/78/62/640447862.db2.gz FMZNCYSFZXYHQJ-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000044650621 640448084 /nfs/dbraw/zinc/44/80/84/640448084.db2.gz QFUFGAOWEFSGBD-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP O=C(C[NH2+]CC1CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726838 640462491 /nfs/dbraw/zinc/46/24/91/640462491.db2.gz PFJGARKZIVLQFH-NSHDSACASA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H](CNC(=O)c1cccc(C[NH3+])c1)[NH+](C)C ZINC000045093760 640499816 /nfs/dbraw/zinc/49/98/16/640499816.db2.gz STAAVDPKZWMOBW-JTQLQIEISA-N 2 0 235.331 0.825 20 0 BCADRP CC(C)NC(=[NH2+])NCC1([NH+](C)C)CCC1 ZINC000165123669 640541397 /nfs/dbraw/zinc/54/13/97/640541397.db2.gz CKDMIFZOEKUUHV-UHFFFAOYSA-N 2 0 212.341 0.993 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[NH+](C)C)C1 ZINC000167370365 640712972 /nfs/dbraw/zinc/71/29/72/640712972.db2.gz PVTWMEKSNIGBAU-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[NH+](C)C)C1 ZINC000167370156 640713543 /nfs/dbraw/zinc/71/35/43/640713543.db2.gz PVTWMEKSNIGBAU-ZJUUUORDSA-N 2 0 213.325 0.052 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000225865624 640713680 /nfs/dbraw/zinc/71/36/80/640713680.db2.gz FFEIRZRZWPLYPF-NWDGAFQWSA-N 2 0 230.352 0.315 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167517237 640726034 /nfs/dbraw/zinc/72/60/34/640726034.db2.gz IUXYTMNLPSZOGO-UTUOFQBUSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000226102084 640733515 /nfs/dbraw/zinc/73/35/15/640733515.db2.gz PULWXFXFKPYUIL-CHWSQXEVSA-N 2 0 244.379 0.440 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000877102724 640747423 /nfs/dbraw/zinc/74/74/23/640747423.db2.gz MUXHIHRTNAGUFY-GWCFXTLKSA-N 2 0 235.331 0.666 20 0 BCADRP C[N@@H+]1C[C@@H]2CN(C[C@](C)(O)C(F)F)C[C@]2(C)C1 ZINC000933732516 640754634 /nfs/dbraw/zinc/75/46/34/640754634.db2.gz LEPIXRLKVSKWCN-USWWRNFRSA-N 2 0 248.317 0.886 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000226399002 640759588 /nfs/dbraw/zinc/75/95/88/640759588.db2.gz HHLRZKMYBHUVNT-VIFPVBQESA-N 2 0 213.325 0.195 20 0 BCADRP Cn1cc(CC[N@@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000226418905 640762135 /nfs/dbraw/zinc/76/21/35/640762135.db2.gz GHTYUNYKNGBOCM-NSHDSACASA-N 2 0 222.336 0.633 20 0 BCADRP CC1(C)[C@H](O)C[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000226720553 640791346 /nfs/dbraw/zinc/79/13/46/640791346.db2.gz OGYNTEAUROGXTG-IJLUTSLNSA-N 2 0 242.363 0.192 20 0 BCADRP OCCCCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000226834844 640799424 /nfs/dbraw/zinc/79/94/24/640799424.db2.gz GABALRLUAXTOFN-RYUDHWBXSA-N 2 0 212.337 0.690 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)CC[N@@H+]1C ZINC000158109923 640806148 /nfs/dbraw/zinc/80/61/48/640806148.db2.gz GQXVTZVLTGISIL-GHMZBOCLSA-N 2 0 240.351 0.084 20 0 BCADRP Cn1ccc(CC[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000227223578 640821134 /nfs/dbraw/zinc/82/11/34/640821134.db2.gz BTYHJADTXVDNPN-UHFFFAOYSA-N 2 0 236.363 0.894 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000228532297 640878478 /nfs/dbraw/zinc/87/84/78/640878478.db2.gz XTSSTOLYHNXFKC-WDEREUQCSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000228608870 640885660 /nfs/dbraw/zinc/88/56/60/640885660.db2.gz CBLXUIGXNNAODH-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000228608878 640885731 /nfs/dbraw/zinc/88/57/31/640885731.db2.gz CBLXUIGXNNAODH-WOPDTQHZSA-N 2 0 241.379 0.960 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000228792456 640895277 /nfs/dbraw/zinc/89/52/77/640895277.db2.gz JXYAQWVCBCETLG-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH+]1CCC(C[NH2+]CCC[S@](C)=O)CC1 ZINC000229205242 640933069 /nfs/dbraw/zinc/93/30/69/640933069.db2.gz DXMMBGBGEKIHEZ-HNNXBMFYSA-N 2 0 232.393 0.686 20 0 BCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229256779 640939679 /nfs/dbraw/zinc/93/96/79/640939679.db2.gz MBXBAMCLOBOTPZ-NXEZZACHSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229258751 640939986 /nfs/dbraw/zinc/93/99/86/640939986.db2.gz KYDKPLFQBHZYEK-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229258105 640940172 /nfs/dbraw/zinc/94/01/72/640940172.db2.gz SIAQTAXSOSOAFQ-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H](CNC(=O)C[C@H]([NH3+])C1CC1)[N@H+](C)C1CC1 ZINC000230063712 641011341 /nfs/dbraw/zinc/01/13/41/641011341.db2.gz XQIGCUQMWZELHN-CABZTGNLSA-N 2 0 239.363 0.713 20 0 BCADRP CO[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000230315863 641047069 /nfs/dbraw/zinc/04/70/69/641047069.db2.gz HTKCLJAPZHEWCZ-SNVBAGLBSA-N 2 0 202.298 0.073 20 0 BCADRP C[C@]1(C(=O)NCC[NH+]2CCCC2)CC[NH2+]C1 ZINC000062890624 641105929 /nfs/dbraw/zinc/10/59/29/641105929.db2.gz HSWWDDORUFAUBQ-LBPRGKRZSA-N 2 0 225.336 0.198 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973416 641114069 /nfs/dbraw/zinc/11/40/69/641114069.db2.gz FEJWGJDULNFACQ-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP C[C@@H](O)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063121317 641135259 /nfs/dbraw/zinc/13/52/59/641135259.db2.gz KLQVBDPJFVJQGQ-SNVBAGLBSA-N 2 0 200.326 0.641 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307943015 641198548 /nfs/dbraw/zinc/19/85/48/641198548.db2.gz QVVPKYPKTRISSR-YUMQZZPRSA-N 2 0 226.242 0.580 20 0 BCADRP C1CC1[C@@H]1OCC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000232569362 641301203 /nfs/dbraw/zinc/30/12/03/641301203.db2.gz PJYUWVOIZWNLIN-NEPJUHHUSA-N 2 0 210.321 0.896 20 0 BCADRP CN(CC[NH+](C)C)c1cc[nH+]cc1CO ZINC000088110301 641315882 /nfs/dbraw/zinc/31/58/82/641315882.db2.gz JQRWYEKJQMOLJY-UHFFFAOYSA-N 2 0 209.293 0.572 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)[C@H](C)O)C1 ZINC000929782575 641541998 /nfs/dbraw/zinc/54/19/98/641541998.db2.gz XFUZHJKVDAWVAQ-AVGNSLFASA-N 2 0 244.379 0.392 20 0 BCADRP CC(C)COCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000158916978 641658504 /nfs/dbraw/zinc/65/85/04/641658504.db2.gz UKPRKDKDCJSWAR-LLVKDONJSA-N 2 0 200.326 0.940 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000048215296 641681380 /nfs/dbraw/zinc/68/13/80/641681380.db2.gz LEHBGQWFJRUYGY-SECBINFHSA-N 2 0 213.325 0.276 20 0 BCADRP [NH3+][C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CC1 ZINC000159611178 641689395 /nfs/dbraw/zinc/68/93/95/641689395.db2.gz CWSWZYGEJZNDBS-TUAOUCFPSA-N 2 0 237.347 0.467 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000153187092 641718316 /nfs/dbraw/zinc/71/83/16/641718316.db2.gz NSWYNXPHBZHRKT-GMTAPVOTSA-N 2 0 227.352 0.569 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000915153321 641805861 /nfs/dbraw/zinc/80/58/61/641805861.db2.gz NMUSAOKXYWPHKY-GHMZBOCLSA-N 2 0 242.367 0.330 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000884036825 641863537 /nfs/dbraw/zinc/86/35/37/641863537.db2.gz IFNJSMBVWPCZGG-NXEZZACHSA-N 2 0 225.336 0.086 20 0 BCADRP CCCN1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001031260638 641867872 /nfs/dbraw/zinc/86/78/72/641867872.db2.gz SNWUQZAWBPQEJS-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1CN(C(=O)CCCCC[NH3+])CC[NH2+]1 ZINC000154147922 641970581 /nfs/dbraw/zinc/97/05/81/641970581.db2.gz UPSNCQAJTZCITP-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)CCCCC[NH3+] ZINC000154153211 641972413 /nfs/dbraw/zinc/97/24/13/641972413.db2.gz NXMDFFSCCLFDJQ-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@H](C)O)[C@@H](C)C1 ZINC000930001291 642142995 /nfs/dbraw/zinc/14/29/95/642142995.db2.gz TWYLNFHRMNJHSV-CYDGBPFRSA-N 2 0 244.379 0.390 20 0 BCADRP C[N@H+](CCNC(=O)NC[C@H]1CC[NH+]1C)C1CC1 ZINC000918182234 642176291 /nfs/dbraw/zinc/17/62/91/642176291.db2.gz WLCOEILSFKLCON-LLVKDONJSA-N 2 0 240.351 0.084 20 0 BCADRP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971200244 642323606 /nfs/dbraw/zinc/32/36/06/642323606.db2.gz FWUGUXJYAGRZIO-NEPJUHHUSA-N 2 0 239.363 0.633 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CC[NH+]1C ZINC000924022926 642370254 /nfs/dbraw/zinc/37/02/54/642370254.db2.gz UXLRZHLRTTXTDJ-QWRGUYRKSA-N 2 0 240.351 0.084 20 0 BCADRP CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001021893450 642438872 /nfs/dbraw/zinc/43/88/72/642438872.db2.gz BFQQTCPVKABHKH-TUAOUCFPSA-N 2 0 239.363 0.727 20 0 BCADRP CC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000962704225 642731024 /nfs/dbraw/zinc/73/10/24/642731024.db2.gz QQCBQEMRQRULNW-MOENNCHZSA-N 2 0 239.363 0.442 20 0 BCADRP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000962592624 642731378 /nfs/dbraw/zinc/73/13/78/642731378.db2.gz SIZBPOAOSCISSQ-NNYUYHANSA-N 2 0 237.347 0.004 20 0 BCADRP CC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000962704224 642731538 /nfs/dbraw/zinc/73/15/38/642731538.db2.gz QQCBQEMRQRULNW-CXQJBGSLSA-N 2 0 239.363 0.442 20 0 BCADRP CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000967709066 642802309 /nfs/dbraw/zinc/80/23/09/642802309.db2.gz VCQBMNOFVGHHSZ-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000969076919 642822837 /nfs/dbraw/zinc/82/28/37/642822837.db2.gz FPZMPFCDPGANAM-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP CCC[N@H+](C[C@@H](O)COCC)C1CC[NH2+]CC1 ZINC000069280008 642845332 /nfs/dbraw/zinc/84/53/32/642845332.db2.gz JOOIKUSYMJPLAH-CYBMUJFWSA-N 2 0 244.379 0.848 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001018971720 643015216 /nfs/dbraw/zinc/01/52/16/643015216.db2.gz PNLQSZOKSSDTDR-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001018966610 643017159 /nfs/dbraw/zinc/01/71/59/643017159.db2.gz NOUYZUHILJVCHJ-RYUDHWBXSA-N 2 0 239.363 0.537 20 0 BCADRP CCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001019035029 643019602 /nfs/dbraw/zinc/01/96/02/643019602.db2.gz WMIFZBDTPUGBKU-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)C2CC2)CC1 ZINC000070882562 643074274 /nfs/dbraw/zinc/07/42/74/643074274.db2.gz HBBYMWVCSWAIOX-GFCCVEGCSA-N 2 0 212.337 0.689 20 0 BCADRP C([NH2+][C@@H]1CCOC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000070967457 643088779 /nfs/dbraw/zinc/08/87/79/643088779.db2.gz PCWHBXFTWOPZJW-GHMZBOCLSA-N 2 0 210.321 0.849 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000969955693 643256225 /nfs/dbraw/zinc/25/62/25/643256225.db2.gz RMJFZQFYTMXSOP-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CCC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000969986313 643263477 /nfs/dbraw/zinc/26/34/77/643263477.db2.gz WMIFZBDTPUGBKU-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP [NH3+]C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000655505055 643267597 /nfs/dbraw/zinc/26/75/97/643267597.db2.gz PCPVYTIWLMAMKJ-BQBZGAKWSA-N 2 0 239.241 0.134 20 0 BCADRP CCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032186204 643284509 /nfs/dbraw/zinc/28/45/09/643284509.db2.gz KZFDVMXJGLZYHS-GFCCVEGCSA-N 2 0 239.363 0.396 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H]([NH3+])CC1CC1 ZINC000306101649 643300112 /nfs/dbraw/zinc/30/01/12/643300112.db2.gz PSEBUEPLUOYZIP-GFCCVEGCSA-N 2 0 241.379 0.914 20 0 BCADRP Cn1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1=O ZINC000843346356 643345684 /nfs/dbraw/zinc/34/56/84/643345684.db2.gz FJNACVPZKYSHFZ-LBPRGKRZSA-N 2 0 235.331 0.556 20 0 BCADRP [NH3+]Cc1cccc(C(=O)N2CC[NH2+]CC2)c1 ZINC000082643062 643357160 /nfs/dbraw/zinc/35/71/60/643357160.db2.gz HUBAODZZMZHTHT-UHFFFAOYSA-N 2 0 219.288 0.191 20 0 BCADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC000082681029 643367211 /nfs/dbraw/zinc/36/72/11/643367211.db2.gz ZMGRFIQQTQSTBX-SECBINFHSA-N 2 0 240.269 0.841 20 0 BCADRP CC(C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001021044408 643392974 /nfs/dbraw/zinc/39/29/74/643392974.db2.gz MPXPXBBDCWSFCU-SRVKXCTJSA-N 2 0 239.363 0.583 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000084420088 643557882 /nfs/dbraw/zinc/55/78/82/643557882.db2.gz XYUWDQKYVLYFHL-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)CCCCCC[NH3+])C1 ZINC000160483436 643638375 /nfs/dbraw/zinc/63/83/75/643638375.db2.gz NXNULCMZCJQZNM-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCn1cccn1 ZINC000084216447 643651141 /nfs/dbraw/zinc/65/11/41/643651141.db2.gz ZIPRWWDQCIMXOS-RYUDHWBXSA-N 2 0 222.336 0.990 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C3CC3)CC2)C1 ZINC000085015174 643678987 /nfs/dbraw/zinc/67/89/87/643678987.db2.gz ZGEMFZNZSDQKOY-NWDGAFQWSA-N 2 0 223.364 0.894 20 0 BCADRP CCN1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000085014415 643680145 /nfs/dbraw/zinc/68/01/45/643680145.db2.gz HAUXZUYBEJRZRK-NEPJUHHUSA-N 2 0 211.353 0.751 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000922161845 643885152 /nfs/dbraw/zinc/88/51/52/643885152.db2.gz YBBVERBGVYZSOF-NSHDSACASA-N 2 0 237.347 0.293 20 0 BCADRP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000922744201 644085345 /nfs/dbraw/zinc/08/53/45/644085345.db2.gz WWFAPAZHVNDOAH-HBNTYKKESA-N 2 0 242.367 0.328 20 0 BCADRP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C)[NH+](C)C ZINC000922744199 644086509 /nfs/dbraw/zinc/08/65/09/644086509.db2.gz WWFAPAZHVNDOAH-DCAQKATOSA-N 2 0 242.367 0.328 20 0 BCADRP C[N@H+](CCc1cccs1)C[C@@H](O)C[NH3+] ZINC000086440848 644137678 /nfs/dbraw/zinc/13/76/78/644137678.db2.gz HZERSJPZXRHMLY-VIFPVBQESA-N 2 0 214.334 0.542 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000192541030 644162347 /nfs/dbraw/zinc/16/23/47/644162347.db2.gz JCFDLCKVLUNQAZ-AWEZNQCLSA-N 2 0 249.358 0.976 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CC[C@@H](C)[NH3+] ZINC000193170979 644219617 /nfs/dbraw/zinc/21/96/17/644219617.db2.gz BZNPQUWRWUPTED-GHMZBOCLSA-N 2 0 229.368 0.946 20 0 BCADRP COCC[N@H+](C)CCCNC(=O)CC[C@@H](C)[NH3+] ZINC000193300590 644232732 /nfs/dbraw/zinc/23/27/32/644232732.db2.gz GOZJGYOLKPFFGU-LLVKDONJSA-N 2 0 245.367 0.198 20 0 BCADRP CC(C)OCC[C@@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000923276977 644308604 /nfs/dbraw/zinc/30/86/04/644308604.db2.gz HVASUHWMCNMYIX-CYBMUJFWSA-N 2 0 244.379 0.833 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000923283694 644309811 /nfs/dbraw/zinc/30/98/11/644309811.db2.gz XKACMPQSBHTVMB-OLZOCXBDSA-N 2 0 244.379 0.705 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923279429 644311839 /nfs/dbraw/zinc/31/18/39/644311839.db2.gz AQKBPISKKGCBNM-VHSXEESVSA-N 2 0 218.366 0.381 20 0 BCADRP CCOCCOCC[N@H+](C)C1CC[NH2+]CC1 ZINC000923279962 644312178 /nfs/dbraw/zinc/31/21/78/644312178.db2.gz USWJDWGNXZUJAU-UHFFFAOYSA-N 2 0 230.352 0.723 20 0 BCADRP CC(C)COC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923279853 644312788 /nfs/dbraw/zinc/31/27/88/644312788.db2.gz DQVNKGZDFGDJSJ-QWHCGFSZSA-N 2 0 244.379 0.691 20 0 BCADRP CSC[C@@H](O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923281562 644315278 /nfs/dbraw/zinc/31/52/78/644315278.db2.gz MVMAAOJNLPXYJO-LBPRGKRZSA-N 2 0 244.404 0.927 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000923290194 644324171 /nfs/dbraw/zinc/32/41/71/644324171.db2.gz VLQBYJXREZPXOM-XQQFMLRXSA-N 2 0 244.379 0.833 20 0 BCADRP C[N@H+](CCC[NH3+])C[C@@H](O)Cc1ccccc1 ZINC000923290370 644324280 /nfs/dbraw/zinc/32/42/80/644324280.db2.gz IILKGGGTFSUHGM-ZDUSSCGKSA-N 2 0 222.332 0.871 20 0 BCADRP C[C@H]1C[C@H](C)C[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923300096 644325555 /nfs/dbraw/zinc/32/55/55/644325555.db2.gz NUAMXVJDVUWBEY-HTFCKZLJSA-N 2 0 212.337 0.815 20 0 BCADRP C[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H](C)O1 ZINC000923299100 644325855 /nfs/dbraw/zinc/32/58/55/644325855.db2.gz IEHRRZGDBZCIGH-GRYCIOLGSA-N 2 0 240.347 0.474 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](O)COCC(C)C)C1 ZINC000923290827 644326268 /nfs/dbraw/zinc/32/62/68/644326268.db2.gz OSNAQNWPNWACEH-CHWSQXEVSA-N 2 0 244.379 0.561 20 0 BCADRP CCOCC[C@H](O)CN1CCC[C@H]1C[NH3+] ZINC000923293155 644328179 /nfs/dbraw/zinc/32/81/79/644328179.db2.gz OIDILROVKDLTEF-QWRGUYRKSA-N 2 0 216.325 0.197 20 0 BCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923291772 644328593 /nfs/dbraw/zinc/32/85/93/644328593.db2.gz UNJVEXFUSWMCFW-UPJWGTAASA-N 2 0 244.379 0.689 20 0 BCADRP CC1(C)C[NH2+]CCN1CCC[NH2+]C1CC1 ZINC000923293620 644328849 /nfs/dbraw/zinc/32/88/49/644328849.db2.gz ZKCBJQOEDSUITP-UHFFFAOYSA-N 2 0 211.353 0.812 20 0 BCADRP CC(C)OCC[C@@H](O)CN1CCC[C@H]1C[NH3+] ZINC000923293114 644329103 /nfs/dbraw/zinc/32/91/03/644329103.db2.gz NLYJYAOCFASQNV-NWDGAFQWSA-N 2 0 230.352 0.586 20 0 BCADRP CSC[C@H](O)CN1CCC[C@@H]1C[NH3+] ZINC000923292315 644330270 /nfs/dbraw/zinc/33/02/70/644330270.db2.gz HRHLEHHAVFWSBL-RKDXNWHRSA-N 2 0 204.339 0.133 20 0 BCADRP C[N@H+](C[C@H](O)Cn1cccn1)CC(C)(C)C[NH3+] ZINC000923294426 644331669 /nfs/dbraw/zinc/33/16/69/644331669.db2.gz LNSGXMUBWAWJGS-NSHDSACASA-N 2 0 240.351 0.161 20 0 BCADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H](O)Cn1cccn1 ZINC000923295802 644332481 /nfs/dbraw/zinc/33/24/81/644332481.db2.gz HSBLRNHVWIOLJO-RYUDHWBXSA-N 2 0 240.351 0.207 20 0 BCADRP C[C@](C[NH3+])([NH2+]CCO[C@@H]1CCOC1)C1CC1 ZINC000923295759 644332679 /nfs/dbraw/zinc/33/26/79/644332679.db2.gz GLCLKUGFNGDBPV-VXGBXAGGSA-N 2 0 228.336 0.509 20 0 BCADRP CSC[C@@H](O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000923295131 644332901 /nfs/dbraw/zinc/33/29/01/644332901.db2.gz UTPWWQHUUKAKDX-VIFPVBQESA-N 2 0 220.382 0.627 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CN(CCC[NH2+]C2CC2)CCO1 ZINC000923296137 644335026 /nfs/dbraw/zinc/33/50/26/644335026.db2.gz CYSOTNKFWZAMEX-ZYHUDNBSSA-N 2 0 227.352 0.177 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923301174 644337129 /nfs/dbraw/zinc/33/71/29/644337129.db2.gz PJNWXOGIWTYFAR-NEPJUHHUSA-N 2 0 240.347 0.476 20 0 BCADRP COCCC[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923308218 644337885 /nfs/dbraw/zinc/33/78/85/644337885.db2.gz AFAPWIOCAWGLEJ-LLVKDONJSA-N 2 0 228.336 0.333 20 0 BCADRP C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923301257 644338063 /nfs/dbraw/zinc/33/80/63/644338063.db2.gz RVVCGKNUJBIHHL-RYUDHWBXSA-N 2 0 240.347 0.476 20 0 BCADRP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCCOCC1 ZINC000923306466 644339748 /nfs/dbraw/zinc/33/97/48/644339748.db2.gz LJOWMLKYHYJNSA-LLVKDONJSA-N 2 0 226.320 0.087 20 0 BCADRP CC1(C)C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923305894 644341251 /nfs/dbraw/zinc/34/12/51/644341251.db2.gz LDYLDLLQUPACHJ-LLVKDONJSA-N 2 0 240.347 0.476 20 0 BCADRP CCOC[C@@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923314493 644341445 /nfs/dbraw/zinc/34/14/45/644341445.db2.gz JKBCNCSVZPHNAQ-RHYQMDGZSA-N 2 0 228.336 0.195 20 0 BCADRP C[N@H+](CC1CC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923305487 644342367 /nfs/dbraw/zinc/34/23/67/644342367.db2.gz CEQVETVBUATORK-NSHDSACASA-N 2 0 210.321 0.707 20 0 BCADRP CC(C)[C@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923318187 644342585 /nfs/dbraw/zinc/34/25/85/644342585.db2.gz JJDFLPDOYOZFBM-BJDJZHNGSA-N 2 0 212.337 0.815 20 0 BCADRP OCC[C@@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923315626 644343345 /nfs/dbraw/zinc/34/33/45/644343345.db2.gz LBLDGKJHKPMFEC-NWDGAFQWSA-N 2 0 240.347 0.069 20 0 BCADRP OCC[C@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923315625 644343765 /nfs/dbraw/zinc/34/37/65/644343765.db2.gz LBLDGKJHKPMFEC-NEPJUHHUSA-N 2 0 240.347 0.069 20 0 BCADRP C[C@@H]1C[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C ZINC000923317160 644345139 /nfs/dbraw/zinc/34/51/39/644345139.db2.gz VBSNDMQZPGRNBM-UTUOFQBUSA-N 2 0 224.348 0.953 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCCO1 ZINC000923311890 644345594 /nfs/dbraw/zinc/34/55/94/644345594.db2.gz AMWRUVRGMYGSMS-NEPJUHHUSA-N 2 0 240.347 0.476 20 0 BCADRP C(C[NH2+]C1CC1)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000923331322 644346746 /nfs/dbraw/zinc/34/67/46/644346746.db2.gz JJKSCNJOZCBDIE-ZDUSSCGKSA-N 2 0 223.364 0.814 20 0 BCADRP CC[NH+](CC)[C@H]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923318880 644347039 /nfs/dbraw/zinc/34/70/39/644347039.db2.gz IROIRJUAXOKAOP-CYDGBPFRSA-N 2 0 241.379 0.253 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2CN(CCC[NH2+]C3CC3)C[C@H]12 ZINC000923330521 644348526 /nfs/dbraw/zinc/34/85/26/644348526.db2.gz AFZSRVACIOFGFJ-KGYLQXTDSA-N 2 0 223.364 0.798 20 0 BCADRP C(C[NH2+]C1CC1)CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923329804 644348799 /nfs/dbraw/zinc/34/87/99/644348799.db2.gz PBWXFAWPEOICFV-CYBMUJFWSA-N 2 0 223.364 0.955 20 0 BCADRP CC[N@H+](CCc1ccccn1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923321392 644348870 /nfs/dbraw/zinc/34/88/70/644348870.db2.gz DNSZLMLZDUGBPK-UBHSHLNASA-N 2 0 249.358 0.797 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923330676 644350058 /nfs/dbraw/zinc/35/00/58/644350058.db2.gz CDHSFNSYCXVAIF-QWRGUYRKSA-N 2 0 230.377 0.396 20 0 BCADRP CCCCOC[C@H](O)C[NH2+]CC1([NH3+])CCC1 ZINC000923330620 644350137 /nfs/dbraw/zinc/35/01/37/644350137.db2.gz BRPVQBCTZALXFY-LLVKDONJSA-N 2 0 230.352 0.635 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000923323480 644351882 /nfs/dbraw/zinc/35/18/82/644351882.db2.gz HDSUWCFFNDWKPM-RNJOBUHISA-N 2 0 239.363 0.007 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000923333091 644353623 /nfs/dbraw/zinc/35/36/23/644353623.db2.gz TXXSUZMVTSTHCC-WOPDTQHZSA-N 2 0 230.352 0.443 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000923332775 644354896 /nfs/dbraw/zinc/35/48/96/644354896.db2.gz NHRQUHHHSQAJLR-ZDEQEGDKSA-N 2 0 242.363 0.443 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000923348406 644360122 /nfs/dbraw/zinc/36/01/22/644360122.db2.gz GFYIFMLLBYMPOH-WDEREUQCSA-N 2 0 232.393 0.771 20 0 BCADRP CC(C)COC[C@@H](O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000923347269 644360936 /nfs/dbraw/zinc/36/09/36/644360936.db2.gz XBFXAJLQQXSTRI-LBPRGKRZSA-N 2 0 244.379 0.833 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000195119610 644362192 /nfs/dbraw/zinc/36/21/92/644362192.db2.gz WNVADWVUWPZHDJ-JTQLQIEISA-N 2 0 213.325 0.276 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000923349696 644362386 /nfs/dbraw/zinc/36/23/86/644362386.db2.gz VUTIUBDTGUCGDF-OLZOCXBDSA-N 2 0 244.379 0.835 20 0 BCADRP C(C[NH2+]C1CC1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000923349264 644362685 /nfs/dbraw/zinc/36/26/85/644362685.db2.gz SYGQQYLXCCVJFA-PHIMTYICSA-N 2 0 209.337 0.280 20 0 BCADRP C[C@@H]1[NH2+]CCN(C[C@H]2CC3(C[NH2+]C3)CO2)[C@H]1C ZINC000923344308 644363851 /nfs/dbraw/zinc/36/38/51/644363851.db2.gz GPMFOIATDLMNHB-SDDRHHMPSA-N 2 0 239.363 0.047 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1CCC[NH2+]C1CC1 ZINC000923345746 644364731 /nfs/dbraw/zinc/36/47/31/644364731.db2.gz MHBWEBQKCAWNIP-WDEREUQCSA-N 2 0 211.353 0.811 20 0 BCADRP CC1([NH3+])CCN(CCC[NH2+]C2CC2)CC1 ZINC000923344556 644364799 /nfs/dbraw/zinc/36/47/99/644364799.db2.gz DXJJFYUUDZOSFQ-UHFFFAOYSA-N 2 0 211.353 0.942 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000923345876 644364842 /nfs/dbraw/zinc/36/48/42/644364842.db2.gz QVMBVYORMHYUJS-RWMBFGLXSA-N 2 0 244.379 0.833 20 0 BCADRP Cc1nc(C(C)C)ccc1CNC(C[NH3+])C[NH3+] ZINC000923358437 644367379 /nfs/dbraw/zinc/36/73/79/644367379.db2.gz BVUPVKABYYDRBB-UHFFFAOYSA-N 2 0 236.363 0.889 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923358499 644367902 /nfs/dbraw/zinc/36/79/02/644367902.db2.gz HSDYPYJKFWXABZ-HBNTYKKESA-N 2 0 230.377 0.394 20 0 BCADRP OCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358139 644368137 /nfs/dbraw/zinc/36/81/37/644368137.db2.gz DJYIEIJVMHGTFV-NEPJUHHUSA-N 2 0 212.337 0.690 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923357681 644368178 /nfs/dbraw/zinc/36/81/78/644368178.db2.gz ZWCSCAWZYUGUBM-RYUDHWBXSA-N 2 0 230.352 0.445 20 0 BCADRP [NH3+]CC(C[NH3+])NCCOc1ccc(F)cc1 ZINC000923351433 644368354 /nfs/dbraw/zinc/36/83/54/644368354.db2.gz HTUDRDOVSNZEDF-UHFFFAOYSA-N 2 0 227.283 0.080 20 0 BCADRP COC[C@H](O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000923352850 644369270 /nfs/dbraw/zinc/36/92/70/644369270.db2.gz GILPQKVFDWSAJY-CYBMUJFWSA-N 2 0 244.379 0.835 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000923352361 644369540 /nfs/dbraw/zinc/36/95/40/644369540.db2.gz DEHANCQVHGJALR-QWRGUYRKSA-N 2 0 232.393 0.914 20 0 BCADRP C[C@@H]1CCCC[C@@H]1OCCNC(C[NH3+])C[NH3+] ZINC000923352194 644370312 /nfs/dbraw/zinc/37/03/12/644370312.db2.gz QIONQQOATSZPBV-PWSUYJOCSA-N 2 0 229.368 0.457 20 0 BCADRP C[C@H](NC(C[NH3+])C[NH3+])c1ccc(F)c(F)c1 ZINC000923352310 644370453 /nfs/dbraw/zinc/37/04/53/644370453.db2.gz ULMQDOLKCWYSJT-ZETCQYMHSA-N 2 0 229.274 0.901 20 0 BCADRP [NH3+]CC(C[NH3+])NC[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000923356542 644371122 /nfs/dbraw/zinc/37/11/22/644371122.db2.gz MWLIFZMOBVFQGQ-UONOGXRCSA-N 2 0 249.358 0.782 20 0 BCADRP Cc1ccc(CNC(C[NH3+])C[NH3+])nc1Cl ZINC000923355621 644372091 /nfs/dbraw/zinc/37/20/91/644372091.db2.gz BSYNGVYBTVGDGO-UHFFFAOYSA-N 2 0 228.727 0.419 20 0 BCADRP CC(C)(C)c1nc(CNC(C[NH3+])C[NH3+])cs1 ZINC000923354452 644372139 /nfs/dbraw/zinc/37/21/39/644372139.db2.gz PDQXFKFHTDNOCS-UHFFFAOYSA-N 2 0 242.392 0.816 20 0 BCADRP COc1ccc(CNC(C[NH3+])C[NH3+])cc1Cl ZINC000923354836 644373596 /nfs/dbraw/zinc/37/35/96/644373596.db2.gz WEBMBNCMKWOZDD-UHFFFAOYSA-N 2 0 243.738 0.724 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1scnc1Cl ZINC000923356982 644374969 /nfs/dbraw/zinc/37/49/69/644374969.db2.gz SNWOTBIYGXBZTG-UHFFFAOYSA-N 2 0 220.729 0.172 20 0 BCADRP CSC[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000923368980 644381288 /nfs/dbraw/zinc/38/12/88/644381288.db2.gz IHCMBTPMADSJIH-NXEZZACHSA-N 2 0 232.393 0.688 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@H](c3ccccn3)C2)C1 ZINC000923369113 644382215 /nfs/dbraw/zinc/38/22/15/644382215.db2.gz HQUXWJUSHMDKJV-IMIFBBOLSA-N 2 0 247.342 0.722 20 0 BCADRP COC[C@@H](O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000923360182 644382871 /nfs/dbraw/zinc/38/28/71/644382871.db2.gz XZVCPPUDQBWKLI-NSHDSACASA-N 2 0 228.336 0.069 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923359551 644383261 /nfs/dbraw/zinc/38/32/61/644383261.db2.gz RPHPZVUSJACNKG-AVGNSLFASA-N 2 0 242.363 0.458 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1cccc(C(F)F)c1 ZINC000923359471 644384378 /nfs/dbraw/zinc/38/43/78/644384378.db2.gz QOJURQADHNAJHT-UHFFFAOYSA-N 2 0 229.274 1.000 20 0 BCADRP CC(C)OC[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000923371277 644385047 /nfs/dbraw/zinc/38/50/47/644385047.db2.gz WTADKBGOHUEWRW-VXGBXAGGSA-N 2 0 244.379 0.750 20 0 BCADRP CSC[C@@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC000923361689 644387350 /nfs/dbraw/zinc/38/73/50/644387350.db2.gz KVCMHTDTSNAPMX-HACHORDNSA-N 2 0 204.339 0.132 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000923375416 644389375 /nfs/dbraw/zinc/38/93/75/644389375.db2.gz LVOZQISSKGUXPM-QWHCGFSZSA-N 2 0 244.379 0.956 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000923375675 644389733 /nfs/dbraw/zinc/38/97/33/644389733.db2.gz OYEKNWLFCRZLRS-XQQFMLRXSA-N 2 0 244.379 0.691 20 0 BCADRP CC[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923380377 644394177 /nfs/dbraw/zinc/39/41/77/644394177.db2.gz VWTVLWVKAFMKEC-SSRBZLIGSA-N 2 0 200.326 0.861 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000923381647 644394551 /nfs/dbraw/zinc/39/45/51/644394551.db2.gz KGRJKHQAWVARLQ-QJPTWQEYSA-N 2 0 228.336 0.651 20 0 BCADRP C[C@H](O)C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923391258 644395672 /nfs/dbraw/zinc/39/56/72/644395672.db2.gz XBJHXTHLFJDJER-JQWIXIFHSA-N 2 0 240.347 0.210 20 0 BCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000923390028 644396486 /nfs/dbraw/zinc/39/64/86/644396486.db2.gz AUUBKIGWFJXBDY-YNEHKIRRSA-N 2 0 244.379 0.832 20 0 BCADRP C[C@H](CO)C1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923387422 644397699 /nfs/dbraw/zinc/39/76/99/644397699.db2.gz NNDIBKFTOGBKOL-IXOXFDKPSA-N 2 0 242.363 0.177 20 0 BCADRP C[N@H+](CC1=CCCOC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923392490 644398331 /nfs/dbraw/zinc/39/83/31/644398331.db2.gz WZUYODDOLYWFAI-SRVKXCTJSA-N 2 0 226.320 0.116 20 0 BCADRP CCC[N@H+](CC)CCNC(=[NH2+])N[C@@H](C)COC ZINC000083052933 644398927 /nfs/dbraw/zinc/39/89/27/644398927.db2.gz NLQPKALUUNIWLG-NSHDSACASA-N 2 0 244.383 0.658 20 0 BCADRP CCOCC[C@@H](O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000923386225 644399703 /nfs/dbraw/zinc/39/97/03/644399703.db2.gz IAARGMKVUUKVIU-CYBMUJFWSA-N 2 0 244.379 0.835 20 0 BCADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000923393521 644402975 /nfs/dbraw/zinc/40/29/75/644402975.db2.gz SAKLEDXKJZRVIT-AVGNSLFASA-N 2 0 244.379 0.974 20 0 BCADRP CN(CCC[NH2+]C1CC1)[C@H](C[NH3+])C(F)(F)F ZINC000923397622 644404838 /nfs/dbraw/zinc/40/48/38/644404838.db2.gz NIXXCAUMRIXPEO-SECBINFHSA-N 2 0 239.285 0.950 20 0 BCADRP OCC[NH2+][C@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000923401729 644407183 /nfs/dbraw/zinc/40/71/83/644407183.db2.gz FGBPLFRURDJFIS-ZDUSSCGKSA-N 2 0 241.379 0.032 20 0 BCADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[NH+](C1CC1)C1CC1 ZINC000923401996 644407614 /nfs/dbraw/zinc/40/76/14/644407614.db2.gz RJXPDVLGYAVUMS-LBPRGKRZSA-N 2 0 222.332 0.992 20 0 BCADRP OCC[NH2+][C@@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000923408878 644411029 /nfs/dbraw/zinc/41/10/29/644411029.db2.gz IAURYZMHCROZCO-CYBMUJFWSA-N 2 0 241.379 0.175 20 0 BCADRP CC(C)OCC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000923410477 644412150 /nfs/dbraw/zinc/41/21/50/644412150.db2.gz IEQCQAPSAVTTJE-XQQFMLRXSA-N 2 0 244.379 0.689 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923414214 644416121 /nfs/dbraw/zinc/41/61/21/644416121.db2.gz KKNDQUIPQOCZGS-IJLUTSLNSA-N 2 0 244.404 0.784 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923414217 644416532 /nfs/dbraw/zinc/41/65/32/644416532.db2.gz KKNDQUIPQOCZGS-QJPTWQEYSA-N 2 0 244.404 0.784 20 0 BCADRP CN1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CCC1=O ZINC000084060479 644417165 /nfs/dbraw/zinc/41/71/65/644417165.db2.gz PMSUQBBQKXAKBU-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP CC(=O)[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923423013 644418507 /nfs/dbraw/zinc/41/85/07/644418507.db2.gz YMHLREZRYBEYJU-RHYQMDGZSA-N 2 0 226.320 0.138 20 0 BCADRP CC(C)OC[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923423600 644419597 /nfs/dbraw/zinc/41/95/97/644419597.db2.gz XWXDQUZLHZUWFC-GMTAPVOTSA-N 2 0 230.352 0.488 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)C1 ZINC000923426078 644419796 /nfs/dbraw/zinc/41/97/96/644419796.db2.gz CDHRQXUALQBEFV-MOLYVOAJSA-N 2 0 240.347 0.338 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NCCC[NH2+]C1CC1 ZINC000923423253 644419811 /nfs/dbraw/zinc/41/98/11/644419811.db2.gz WVDWVNBMQGSNDW-MNOVXSKESA-N 2 0 211.353 0.844 20 0 BCADRP C[C@@H]1COCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923432713 644426594 /nfs/dbraw/zinc/42/65/94/644426594.db2.gz IPJUJZRAGCWGJO-RYUDHWBXSA-N 2 0 240.347 0.333 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1[C@H](C)[C@H](C)[NH2+]C[C@@H]1C ZINC000923435506 644427568 /nfs/dbraw/zinc/42/75/68/644427568.db2.gz IPPFLAHWGVAQTP-SJHCENCUSA-N 2 0 225.380 0.913 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000923436290 644427972 /nfs/dbraw/zinc/42/79/72/644427972.db2.gz OWUUTBHRMWBCNO-LVEVGFFFSA-N 2 0 229.343 0.757 20 0 BCADRP C[C@H](O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923438658 644432246 /nfs/dbraw/zinc/43/22/46/644432246.db2.gz BFLHGRPIBMTXOE-WDEREUQCSA-N 2 0 228.336 0.197 20 0 BCADRP Cc1ccc(CN2CC[NH2+]CC[NH2+]CC2)cn1 ZINC000923459163 644439471 /nfs/dbraw/zinc/43/94/71/644439471.db2.gz BOBKAMDOCJOQJF-UHFFFAOYSA-N 2 0 234.347 0.385 20 0 BCADRP C(CN1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000923454325 644443667 /nfs/dbraw/zinc/44/36/67/644443667.db2.gz GSBUIKCJXYFFBR-FRRDWIJNSA-N 2 0 223.364 0.670 20 0 BCADRP ClC(Cl)=CCN1CC[NH2+]CC[NH2+]CC1 ZINC000923461567 644446071 /nfs/dbraw/zinc/44/60/71/644446071.db2.gz ZMGSWHJQLYELLR-UHFFFAOYSA-N 2 0 238.162 0.800 20 0 BCADRP Cc1ccc(CN2CC[NH2+]CC[NH2+]CC2)c(C)n1 ZINC000923460122 644446418 /nfs/dbraw/zinc/44/64/18/644446418.db2.gz QWNWVGUFZIQVLI-UHFFFAOYSA-N 2 0 248.374 0.693 20 0 BCADRP COc1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923460841 644447589 /nfs/dbraw/zinc/44/75/89/644447589.db2.gz WRNAMTXODATCLQ-UHFFFAOYSA-N 2 0 249.358 0.690 20 0 BCADRP [NH3+][C@]1(CO)CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000923470889 644448265 /nfs/dbraw/zinc/44/82/65/644448265.db2.gz BWEKNEPGSCUZHJ-QWHCGFSZSA-N 2 0 241.379 0.162 20 0 BCADRP [NH3+]CCCCCCCN1CCC[C@@]([NH3+])(CO)C1 ZINC000923474249 644451384 /nfs/dbraw/zinc/45/13/84/644451384.db2.gz ZJMTZMUFPOBCMO-ZDUSSCGKSA-N 2 0 243.395 0.681 20 0 BCADRP CC[NH+](CC)CCCN1CCC[C@]([NH3+])(CO)C1 ZINC000923473066 644456861 /nfs/dbraw/zinc/45/68/61/644456861.db2.gz PALBYYWUROIYJV-CYBMUJFWSA-N 2 0 243.395 0.504 20 0 BCADRP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480645 644459757 /nfs/dbraw/zinc/45/97/57/644459757.db2.gz AWGSHHDPGWRJLL-VXGBXAGGSA-N 2 0 241.379 0.912 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000923480992 644460376 /nfs/dbraw/zinc/46/03/76/644460376.db2.gz NJHVRIGCIJBJKA-NWDGAFQWSA-N 3 0 211.353 0.657 20 0 BCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)CC[C@H]1C[NH3+] ZINC000923495131 644463215 /nfs/dbraw/zinc/46/32/15/644463215.db2.gz UECQSOLWSXOWDZ-GRYCIOLGSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CC[C@H]1C[NH3+] ZINC000923489373 644464759 /nfs/dbraw/zinc/46/47/59/644464759.db2.gz JGFOHLYGSMGLJT-BJDJZHNGSA-N 2 0 229.343 0.603 20 0 BCADRP CC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923490658 644465096 /nfs/dbraw/zinc/46/50/96/644465096.db2.gz FDGWIUBWIZOIFV-MXWKQRLJSA-N 2 0 200.326 0.674 20 0 BCADRP CC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923490653 644466041 /nfs/dbraw/zinc/46/60/41/644466041.db2.gz FDGWIUBWIZOIFV-AXFHLTTASA-N 2 0 200.326 0.674 20 0 BCADRP C[C@@H]1C[N@H+](CCc2cnn(C)c2)CC[C@@H]1C[NH3+] ZINC000923491117 644466397 /nfs/dbraw/zinc/46/63/97/644466397.db2.gz RBWBHTPPAJYZIS-DGCLKSJQSA-N 2 0 236.363 0.879 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923492369 644466778 /nfs/dbraw/zinc/46/67/78/644466778.db2.gz NZICQUAHMANFHC-GARJFASQSA-N 2 0 232.393 0.627 20 0 BCADRP C[C@H]1C[N@H+](Cc2ccnn2C)CC[C@@H]1C[NH3+] ZINC000923491444 644466871 /nfs/dbraw/zinc/46/68/71/644466871.db2.gz RWYPOZOWDSNGIU-WDEREUQCSA-N 2 0 222.336 0.837 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923492371 644468153 /nfs/dbraw/zinc/46/81/53/644468153.db2.gz NZICQUAHMANFHC-HBNTYKKESA-N 2 0 232.393 0.627 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cnns2)CC[C@@H]1C[NH3+] ZINC000923492811 644468670 /nfs/dbraw/zinc/46/86/70/644468670.db2.gz OZQNMTFRJTUYRI-RKDXNWHRSA-N 2 0 226.349 0.955 20 0 BCADRP Cn1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1=O ZINC000923494335 644469782 /nfs/dbraw/zinc/46/97/82/644469782.db2.gz WUZDOHAIOPJJPE-NSHDSACASA-N 2 0 235.331 0.556 20 0 BCADRP CCOC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923497080 644470285 /nfs/dbraw/zinc/47/02/85/644470285.db2.gz KTRJQPKCMWMCKF-NXEZZACHSA-N 2 0 214.309 0.466 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923494259 644471147 /nfs/dbraw/zinc/47/11/47/644471147.db2.gz WXLULJOSJDHYHM-STQMWFEESA-N 2 0 244.379 0.956 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)CC[C@@H]1C[NH3+] ZINC000923500419 644472602 /nfs/dbraw/zinc/47/26/02/644472602.db2.gz QEJADYRRPILGAG-DGCLKSJQSA-N 2 0 249.358 0.802 20 0 BCADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC000923499731 644473947 /nfs/dbraw/zinc/47/39/47/644473947.db2.gz LSWZLNDVKHNLGU-DGCLKSJQSA-N 3 0 225.380 0.903 20 0 BCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923503642 644477366 /nfs/dbraw/zinc/47/73/66/644477366.db2.gz KCJABFVUZANYCJ-VWYCJHECSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)OCC[C@@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923514915 644477479 /nfs/dbraw/zinc/47/74/79/644477479.db2.gz IEQCQAPSAVTTJE-JHJVBQTASA-N 2 0 244.379 0.689 20 0 BCADRP CC(C)OCC[C@@H](O)CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923508704 644477878 /nfs/dbraw/zinc/47/78/78/644477878.db2.gz MPUBIPWVORBDHZ-IJLUTSLNSA-N 2 0 230.352 0.441 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000923515048 644478094 /nfs/dbraw/zinc/47/80/94/644478094.db2.gz BHBLXQUAHMHADJ-WUHRBBMRSA-N 3 0 223.364 0.655 20 0 BCADRP C[C@H]1OCC[C@@H]1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516173 644479221 /nfs/dbraw/zinc/47/92/21/644479221.db2.gz TYHQEUQURYBASP-FVCCEPFGSA-N 2 0 224.348 0.953 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CCO[C@H]2C)C[C@H]1C[NH3+] ZINC000923515326 644479236 /nfs/dbraw/zinc/47/92/36/644479236.db2.gz QMBRGXJYFHNQBJ-WRWGMCAJSA-N 2 0 212.337 0.938 20 0 BCADRP C[C@@H](O)[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000087129160 644480470 /nfs/dbraw/zinc/48/04/70/644480470.db2.gz SKGXNIMVGOHHKD-NXEZZACHSA-N 2 0 200.326 0.687 20 0 BCADRP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923518167 644483371 /nfs/dbraw/zinc/48/33/71/644483371.db2.gz AUJFAKPHEHWGQP-QJPTWQEYSA-N 2 0 237.347 0.149 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000923529862 644484101 /nfs/dbraw/zinc/48/41/01/644484101.db2.gz CHBZUBJGSSCLGK-RWMBFGLXSA-N 2 0 241.354 0.904 20 0 BCADRP C[NH2+]CCC[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000923526370 644484777 /nfs/dbraw/zinc/48/47/77/644484777.db2.gz OYZBXMUQXPJMHJ-NSHDSACASA-N 2 0 241.335 0.416 20 0 BCADRP [NH3+]CCC[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000923528803 644485561 /nfs/dbraw/zinc/48/55/61/644485561.db2.gz YBIFHEKTQNZZET-UHFFFAOYSA-N 2 0 227.308 0.300 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000923532995 644489901 /nfs/dbraw/zinc/48/99/01/644489901.db2.gz IHFLNKKZTVWDMN-CYDGBPFRSA-N 2 0 239.363 0.055 20 0 BCADRP [NH3+]CCOCCN1C[C@H](CC[NH3+])c2ccccc21 ZINC000923554677 644496902 /nfs/dbraw/zinc/49/69/02/644496902.db2.gz JVFOIMCZZURJPA-LBPRGKRZSA-N 2 0 249.358 0.914 20 0 BCADRP COC[C@H]1COCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000923556445 644501846 /nfs/dbraw/zinc/50/18/46/644501846.db2.gz GZRVRVHDIUKIBS-RYUDHWBXSA-N 2 0 228.336 0.333 20 0 BCADRP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)CC[C@H]1C[NH3+] ZINC000251838998 644826965 /nfs/dbraw/zinc/82/69/65/644826965.db2.gz QGXAUDIGTGGZKQ-MNOVXSKESA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)CC[C@H]1C[NH3+] ZINC000251863177 644828138 /nfs/dbraw/zinc/82/81/38/644828138.db2.gz SRKDFMAGSNMQQL-ZJUUUORDSA-N 2 0 225.336 0.182 20 0 BCADRP CC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252839600 644913411 /nfs/dbraw/zinc/91/34/11/644913411.db2.gz BBDCPNNEIAGCOL-BJDJZHNGSA-N 2 0 212.337 0.817 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252859042 644918102 /nfs/dbraw/zinc/91/81/02/644918102.db2.gz MFYGTWGYBQNFQJ-QNWHQSFQSA-N 2 0 242.363 0.443 20 0 BCADRP C[C@@H](CNC1=[NH+]C[C@H](C)N1)[NH+]1CCCCC1 ZINC000304622383 644921286 /nfs/dbraw/zinc/92/12/86/644921286.db2.gz XSQPGINKNFNGEP-QWRGUYRKSA-N 2 0 224.352 0.798 20 0 BCADRP [NH3+]Cc1cccc(C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000818432805 644996559 /nfs/dbraw/zinc/99/65/59/644996559.db2.gz XXFWTFXMLXJDPJ-GFCCVEGCSA-N 2 0 233.315 0.709 20 0 BCADRP CN(C(=O)c1cccc(C[NH3+])c1)C1CC[NH2+]CC1 ZINC000832388254 645134719 /nfs/dbraw/zinc/13/47/19/645134719.db2.gz KIINKIZSHWOCFB-UHFFFAOYSA-N 2 0 247.342 0.969 20 0 BCADRP CN(C(=O)CCCCC[NH3+])C1CC[NH2+]CC1 ZINC000832388897 645135207 /nfs/dbraw/zinc/13/52/07/645135207.db2.gz UNOATUBNKQJLMP-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP [NH3+][C@H](CC(=O)NCCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000834848716 645149230 /nfs/dbraw/zinc/14/92/30/645149230.db2.gz HBXNBNKVVOQPJT-VXGBXAGGSA-N 2 0 239.363 0.762 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000834857634 645150273 /nfs/dbraw/zinc/15/02/73/645150273.db2.gz KKJPPXOMZOSJMP-SKDRFNHKSA-N 2 0 243.326 0.192 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000841855865 645230027 /nfs/dbraw/zinc/23/00/27/645230027.db2.gz JFSBNNFIHLABPU-NXEZZACHSA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CCCCC[NH3+] ZINC000841856268 645230068 /nfs/dbraw/zinc/23/00/68/645230068.db2.gz MIJBINIGEAWRPP-JTQLQIEISA-N 2 0 229.368 0.995 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000843389007 645287832 /nfs/dbraw/zinc/28/78/32/645287832.db2.gz JBQUNAVISROPIT-LBPRGKRZSA-N 2 0 235.331 0.846 20 0 BCADRP CC[NH2+]CC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000843508218 645293145 /nfs/dbraw/zinc/29/31/45/645293145.db2.gz SWFCHBGPANMMQK-JTQLQIEISA-N 2 0 225.336 0.387 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H](CC[NH+](C)C)OCC ZINC000844188763 645315728 /nfs/dbraw/zinc/31/57/28/645315728.db2.gz BKLAZXNSYYWMFA-NSHDSACASA-N 2 0 245.367 0.069 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000844185698 645315945 /nfs/dbraw/zinc/31/59/45/645315945.db2.gz PCPZDRYODWHEAH-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP CC[NH2+]CC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000844187902 645316650 /nfs/dbraw/zinc/31/66/50/645316650.db2.gz MDHZCEXMYVQZOJ-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000844184220 645317143 /nfs/dbraw/zinc/31/71/43/645317143.db2.gz DWKBYCWGMJVAQG-LBPRGKRZSA-N 2 0 241.379 0.690 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H](O)C(F)F ZINC000926782443 645428044 /nfs/dbraw/zinc/42/80/44/645428044.db2.gz BEXRQGLHJLANNW-JDUUOCRZSA-N 2 0 248.317 0.932 20 0 BCADRP COC(=O)[C@]1(F)CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000852753176 645487946 /nfs/dbraw/zinc/48/79/46/645487946.db2.gz AIKWNVBHFUNALY-PWSUYJOCSA-N 2 0 244.310 0.573 20 0 BCADRP CCCCOCCC[NH2+][C@@H]1CNCCOC1 ZINC000925488858 645522654 /nfs/dbraw/zinc/52/26/54/645522654.db2.gz MRRKNYYEDQSBJF-GFCCVEGCSA-N 2 0 230.352 0.771 20 0 BCADRP C[C@@H]1[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000928432136 645746708 /nfs/dbraw/zinc/74/67/08/645746708.db2.gz PKNQRFXISXTPQT-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP C[N@@H+]1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000123570305 645760789 /nfs/dbraw/zinc/76/07/89/645760789.db2.gz XCFFIUXOPOUKBR-LLVKDONJSA-N 2 0 225.336 0.278 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@]1(C)CCC[NH2+]1)C2 ZINC000877371409 645793033 /nfs/dbraw/zinc/79/30/33/645793033.db2.gz PYKCNUSBHAKWLU-UHTWSYAYSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)CCC1C[NH2+]C1)C2 ZINC000877371253 645793583 /nfs/dbraw/zinc/79/35/83/645793583.db2.gz OGPOJLYZWNVCDP-WCQYABFASA-N 2 0 237.347 0.054 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C1=CC[C@H]([NH3+])C1)C2 ZINC000877372236 645794868 /nfs/dbraw/zinc/79/48/68/645794868.db2.gz YYFOBSHREBOECZ-GMXVVIOVSA-N 2 0 235.331 0.102 20 0 BCADRP C[C@@H](CN[C@@H]1C[NH2+]CCOC1)C[NH+]1CCCC1 ZINC000925482570 645869396 /nfs/dbraw/zinc/86/93/96/645869396.db2.gz VXFCHENOAVGFCB-QWHCGFSZSA-N 2 0 241.379 0.296 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884269977 645872508 /nfs/dbraw/zinc/87/25/08/645872508.db2.gz DFVBHNCCPRAFHR-GMTAPVOTSA-N 2 0 239.363 0.346 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]([NH3+])CC2CC2)[C@H]1C ZINC000884271639 645873042 /nfs/dbraw/zinc/87/30/42/645873042.db2.gz IBNOMPCSEREVPX-QXEWZRGKSA-N 2 0 225.336 0.323 20 0 BCADRP CCCNC(=[NH2+])NC[C@H](C)[N@H+](C)C1CC1 ZINC000221887594 645893839 /nfs/dbraw/zinc/89/38/39/645893839.db2.gz SHRVDDSBULMCSH-VIFPVBQESA-N 2 0 212.341 0.993 20 0 BCADRP CCNC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC000221882838 645894745 /nfs/dbraw/zinc/89/47/45/645894745.db2.gz NAJJZHOWQFNKDS-UHFFFAOYSA-N 2 0 212.341 0.852 20 0 BCADRP C([C@@H]1CCC2(COC2)O1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929311656 646072885 /nfs/dbraw/zinc/07/28/85/646072885.db2.gz FNMACHIJGQYNSG-TUAOUCFPSA-N 2 0 238.331 0.086 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C ZINC000924653491 646085441 /nfs/dbraw/zinc/08/54/41/646085441.db2.gz KMURJENCADRKFM-RWMBFGLXSA-N 2 0 244.379 0.968 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@H]2C(=O)NCC2(C)C)CC1 ZINC000924961601 646144429 /nfs/dbraw/zinc/14/44/29/646144429.db2.gz AHOOZLQZPVMEQP-NSHDSACASA-N 2 0 239.363 0.442 20 0 BCADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)C2(O)CCC2)C1 ZINC000929639542 646217528 /nfs/dbraw/zinc/21/75/28/646217528.db2.gz POBUJALVSDZHBL-NWDGAFQWSA-N 2 0 242.363 0.146 20 0 BCADRP COCC(COC)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000929699137 646255300 /nfs/dbraw/zinc/25/53/00/646255300.db2.gz GKZRMZUMTRNUQB-GFCCVEGCSA-N 2 0 244.379 0.921 20 0 BCADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2COCCO2)C[C@@H]([NH3+])C1 ZINC000925485272 646298004 /nfs/dbraw/zinc/29/80/04/646298004.db2.gz MQVVUWZQESYPSO-GRYCIOLGSA-N 2 0 242.363 0.897 20 0 BCADRP CC1(C)C[C@@H]([NH2+]CCS(C)(=O)=O)C[C@@H]([NH3+])C1 ZINC000925512123 646311249 /nfs/dbraw/zinc/31/12/49/646311249.db2.gz ZRQQQASWJLPVOF-ZJUUUORDSA-N 2 0 248.392 0.527 20 0 BCADRP C(C[NH+]1CCCCC1)N[C@H]1C[NH2+]CCOC1 ZINC000925534094 646314126 /nfs/dbraw/zinc/31/41/26/646314126.db2.gz SBDIJSPVIWTVLJ-LBPRGKRZSA-N 2 0 227.352 0.050 20 0 BCADRP CC(=O)NCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925521178 646315998 /nfs/dbraw/zinc/31/59/98/646315998.db2.gz YNRJNJZNZVERQR-GFCCVEGCSA-N 2 0 239.363 0.777 20 0 BCADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)[C@@H](C)O)C1 ZINC000929787695 646318688 /nfs/dbraw/zinc/31/86/88/646318688.db2.gz MJNIIHXGSQVADO-WOPDTQHZSA-N 2 0 230.352 0.002 20 0 BCADRP CCC[N@H+](CC)CCN[C@H]1C[NH2+]CCOC1 ZINC000925529884 646319090 /nfs/dbraw/zinc/31/90/90/646319090.db2.gz NBEXRCCKQSBBCI-LBPRGKRZSA-N 2 0 229.368 0.296 20 0 BCADRP CC1(C)C[C@@H]([NH2+][C@H]2CCCNC2=O)C[C@@H]([NH3+])C1 ZINC000925534566 646320525 /nfs/dbraw/zinc/32/05/25/646320525.db2.gz MXGPDVMWYKKBPG-VWYCJHECSA-N 2 0 239.363 0.761 20 0 BCADRP CC1CC[NH+](CCN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925547389 646327184 /nfs/dbraw/zinc/32/71/84/646327184.db2.gz OGFGSQDUQNWXRP-CYBMUJFWSA-N 2 0 241.379 0.296 20 0 BCADRP CC[N@H+](CCN[C@@H]1C[NH2+]CCOC1)C(C)C ZINC000925556498 646329422 /nfs/dbraw/zinc/32/94/22/646329422.db2.gz JVHVCCUYWBFWPL-GFCCVEGCSA-N 2 0 229.368 0.295 20 0 BCADRP CCn1cnnc1CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925575101 646342314 /nfs/dbraw/zinc/34/23/14/646342314.db2.gz UXVBEIMCINECDN-GHMZBOCLSA-N 2 0 249.362 0.700 20 0 BCADRP CN1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1=O ZINC000925593103 646348103 /nfs/dbraw/zinc/34/81/03/646348103.db2.gz CVSJVYXWBLRGJY-GARJFASQSA-N 2 0 239.363 0.713 20 0 BCADRP CN1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1=O ZINC000925593108 646349464 /nfs/dbraw/zinc/34/94/64/646349464.db2.gz CVSJVYXWBLRGJY-OUAUKWLOSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)(C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C(N)=O ZINC000925602625 646352532 /nfs/dbraw/zinc/35/25/32/646352532.db2.gz VBIYZNYQVAQEOE-VHSXEESVSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@H](O)[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000929848471 646357777 /nfs/dbraw/zinc/35/77/77/646357777.db2.gz SJVWFSQPQMNIHD-UMSGYPCISA-N 2 0 242.363 0.144 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1C=C[C@H](CO)C1 ZINC000925613146 646362833 /nfs/dbraw/zinc/36/28/33/646362833.db2.gz AMAIEUCBDONOTA-YFKTTZPYSA-N 2 0 210.321 0.654 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1C=C[C@H](CO)C1 ZINC000925613145 646363398 /nfs/dbraw/zinc/36/33/98/646363398.db2.gz AMAIEUCBDONOTA-WRWGMCAJSA-N 2 0 210.321 0.654 20 0 BCADRP OCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925613606 646363617 /nfs/dbraw/zinc/36/36/17/646363617.db2.gz ZUUQLHDECIOAJN-NEPJUHHUSA-N 2 0 212.337 0.737 20 0 BCADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCc3ncnn3C2)C12CCC2 ZINC000925621752 646368096 /nfs/dbraw/zinc/36/80/96/646368096.db2.gz NKCDODAAYVBDOQ-MXWKQRLJSA-N 2 0 247.346 0.452 20 0 BCADRP OCCOCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925631266 646375909 /nfs/dbraw/zinc/37/59/09/646375909.db2.gz GSYKDKYIYQLIIP-LLVKDONJSA-N 2 0 228.336 0.260 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCOCCO ZINC000925632258 646376745 /nfs/dbraw/zinc/37/67/45/646376745.db2.gz QFVCELJPCSSIRL-MPEURRAXSA-N 2 0 242.363 0.491 20 0 BCADRP COCC1(C[NH2+][C@H]2CNCCOC2)CCC1 ZINC000925662964 646397623 /nfs/dbraw/zinc/39/76/23/646397623.db2.gz QCIVTWWBUABENZ-NSHDSACASA-N 2 0 228.336 0.381 20 0 BCADRP COCC1(C[NH2+][C@@H]2CNCCOC2)CCC1 ZINC000925662962 646398478 /nfs/dbraw/zinc/39/84/78/646398478.db2.gz QCIVTWWBUABENZ-LLVKDONJSA-N 2 0 228.336 0.381 20 0 BCADRP C[N@@H+]1CCC[C@H](CCN[C@H]2C[NH2+]CCOC2)C1 ZINC000925686374 646413406 /nfs/dbraw/zinc/41/34/06/646413406.db2.gz SKUPHKONDHVJSJ-OLZOCXBDSA-N 2 0 241.379 0.296 20 0 BCADRP CC1(C)[C@@H]([NH2+][C@H]2C[C@@H](O)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925692209 646417886 /nfs/dbraw/zinc/41/78/86/646417886.db2.gz NHIRAQVEAKTFNS-LVEVGFFFSA-N 2 0 224.348 0.876 20 0 BCADRP [NH3+]CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925694419 646419772 /nfs/dbraw/zinc/41/97/72/646419772.db2.gz UIPHHOYQFSZBGS-NEPJUHHUSA-N 2 0 211.353 0.703 20 0 BCADRP C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@@H]1CCC[NH2+]1 ZINC000925695312 646419862 /nfs/dbraw/zinc/41/98/62/646419862.db2.gz VREMMOSEHDQRCY-LIBFEPKXSA-N 2 0 221.348 0.324 20 0 BCADRP [NH3+]CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925694424 646420216 /nfs/dbraw/zinc/42/02/16/646420216.db2.gz UIPHHOYQFSZBGS-VXGBXAGGSA-N 2 0 211.353 0.703 20 0 BCADRP COCC[NH2+]CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925696893 646421887 /nfs/dbraw/zinc/42/18/87/646421887.db2.gz BSOFHJMOUIYPNC-MNOVXSKESA-N 2 0 227.352 0.082 20 0 BCADRP [NH3+]C1(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCC1 ZINC000925697356 646421961 /nfs/dbraw/zinc/42/19/61/646421961.db2.gz FAYXTLSOIVGLFS-KKJSVHSVSA-N 2 0 221.348 0.454 20 0 BCADRP C[NH2+][C@@H](C)CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925700059 646423113 /nfs/dbraw/zinc/42/31/13/646423113.db2.gz NFUFJWQFIBOGLV-WDEREUQCSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H](C[NH3+])N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925699592 646423327 /nfs/dbraw/zinc/42/33/27/646423327.db2.gz KYRVFWZHGLMNIB-ZRUFSTJUSA-N 2 0 211.353 0.700 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925699120 646423484 /nfs/dbraw/zinc/42/34/84/646423484.db2.gz JDVWNSIXHXMBGL-BJDJZHNGSA-N 2 0 223.364 0.986 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925701045 646425045 /nfs/dbraw/zinc/42/50/45/646425045.db2.gz UYWSVYDINSFCLE-KXNHARMFSA-N 2 0 223.364 0.844 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925703506 646426395 /nfs/dbraw/zinc/42/63/95/646426395.db2.gz GNANMMYTHPAFAD-LITXJTQSSA-N 2 0 235.375 0.842 20 0 BCADRP C[C@H]([NH3+])[C@H](NC[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000925706194 646431092 /nfs/dbraw/zinc/43/10/92/646431092.db2.gz MKZOEVPOKMOIAG-YUTCNCBUSA-N 2 0 249.358 0.653 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925706880 646431411 /nfs/dbraw/zinc/43/14/11/646431411.db2.gz KVQPZFZYVORXML-ZRHTZCORSA-N 2 0 239.338 0.272 20 0 BCADRP C[C@H]([NH3+])[C@@H](NC[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000925706190 646431415 /nfs/dbraw/zinc/43/14/15/646431415.db2.gz MKZOEVPOKMOIAG-IACUBPJLSA-N 2 0 249.358 0.653 20 0 BCADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CC[NH2+]C1)[NH2+]2 ZINC000925708103 646432291 /nfs/dbraw/zinc/43/22/91/646432291.db2.gz CRECLKWBLYWMIJ-KKJSVHSVSA-N 2 0 209.337 0.467 20 0 BCADRP CC1(C)[C@@H]([NH2+]C/C=C\CO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925710159 646435213 /nfs/dbraw/zinc/43/52/13/646435213.db2.gz VRDRFDPCKMXXMS-PDBFFVIBSA-N 2 0 224.348 0.901 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NCC1([NH3+])CCCC1 ZINC000925711748 646436306 /nfs/dbraw/zinc/43/63/06/646436306.db2.gz OFJIREQKUYDVRM-GHMZBOCLSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NCCOCCC[NH3+] ZINC000925719030 646438234 /nfs/dbraw/zinc/43/82/34/646438234.db2.gz PWGYQVRGVHXNSE-WDEREUQCSA-N 2 0 215.341 0.082 20 0 BCADRP [NH3+]C1(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCCC1 ZINC000925713294 646438798 /nfs/dbraw/zinc/43/87/98/646438798.db2.gz UJJZHUJPQLJPAW-OBPIAQAESA-N 2 0 235.375 0.844 20 0 BCADRP [NH3+]CCCOCCN[C@H]1CC[NH2+]C12CCC2 ZINC000925716701 646440526 /nfs/dbraw/zinc/44/05/26/646440526.db2.gz GBOSCOKXIZFCBV-NSHDSACASA-N 2 0 227.352 0.226 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@H](N[C@@H]2CC[NH2+]C2)C1 ZINC000925716602 646440819 /nfs/dbraw/zinc/44/08/19/646440819.db2.gz AZVIPZCSZBGMSG-AXFHLTTASA-N 2 0 211.353 0.844 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NCCOCCC[NH3+] ZINC000925717111 646441545 /nfs/dbraw/zinc/44/15/45/646441545.db2.gz ITDZWONPZXONOX-JTQLQIEISA-N 2 0 215.341 0.082 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925719451 646444110 /nfs/dbraw/zinc/44/41/10/646444110.db2.gz RXWQCCABKFGXKL-LSUSWQKBSA-N 3 0 239.363 0.079 20 0 BCADRP C[C@H]([NH3+])[C@H](NC[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000925720536 646446040 /nfs/dbraw/zinc/44/60/40/646446040.db2.gz YPZHMJPVBHWXDH-UBHSHLNASA-N 2 0 249.358 0.653 20 0 BCADRP C(N[C@@H]1CC[NH2+]C12CCCC2)[C@H]1COCC[NH2+]1 ZINC000925720539 646446373 /nfs/dbraw/zinc/44/63/73/646446373.db2.gz YQOCNEGDSBTVGS-NWDGAFQWSA-N 2 0 239.363 0.239 20 0 BCADRP C(N[C@H]1CC[NH2+]C12CCCC2)[C@H]1COCC[NH2+]1 ZINC000925720540 646446796 /nfs/dbraw/zinc/44/67/96/646446796.db2.gz YQOCNEGDSBTVGS-RYUDHWBXSA-N 2 0 239.363 0.239 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925726552 646451949 /nfs/dbraw/zinc/45/19/49/646451949.db2.gz JLFURXDROLOGPZ-GRYCIOLGSA-N 3 0 223.364 0.988 20 0 BCADRP CC(C)([NH3+])CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925737930 646461130 /nfs/dbraw/zinc/46/11/30/646461130.db2.gz QZWGVOKPXIMHOG-JTQLQIEISA-N 2 0 211.353 0.988 20 0 BCADRP Nc1cc[nH+]c(CN[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000925765782 646466232 /nfs/dbraw/zinc/46/62/32/646466232.db2.gz FHFWPGLLORQFSN-QWRGUYRKSA-N 2 0 206.293 0.633 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NCc1cc(N)cc[nH+]1 ZINC000925765506 646466364 /nfs/dbraw/zinc/46/63/64/646466364.db2.gz CQFCPRFOZOHIQQ-BDAKNGLRSA-N 2 0 208.309 0.879 20 0 BCADRP OC[C@@H](C[C@H]1CCCO1)[NH2+]C1CC[NH2+]CC1 ZINC000925768475 646469165 /nfs/dbraw/zinc/46/91/65/646469165.db2.gz VLJFRLLUQUBNBU-VXGBXAGGSA-N 2 0 228.336 0.258 20 0 BCADRP C[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000925769246 646470717 /nfs/dbraw/zinc/47/07/17/646470717.db2.gz ZZGFMQSELQAUNS-CYDGBPFRSA-N 2 0 242.363 0.504 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1C[NH2+]CCC1(F)F ZINC000925775598 646475953 /nfs/dbraw/zinc/47/59/53/646475953.db2.gz HSETXCCOLIKIGD-GMTAPVOTSA-N 2 0 247.333 0.819 20 0 BCADRP C[C@H](NC[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[NH2+]1 ZINC000925776842 646476036 /nfs/dbraw/zinc/47/60/36/646476036.db2.gz MVECIBJJPFCARE-HBNTYKKESA-N 2 0 247.333 0.961 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925778832 646477221 /nfs/dbraw/zinc/47/72/21/646477221.db2.gz FRXDOMPWOUNUDB-GWOFURMSSA-N 2 0 209.337 0.454 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925784578 646481214 /nfs/dbraw/zinc/48/12/14/646481214.db2.gz HLUZCXJIMAHACF-OUAUKWLOSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000925788060 646482317 /nfs/dbraw/zinc/48/23/17/646482317.db2.gz XWPWESBMNLIBPZ-RNJOBUHISA-N 2 0 225.380 0.820 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000925786837 646482848 /nfs/dbraw/zinc/48/28/48/646482848.db2.gz VTSYPAGIHFXDBH-RHYQMDGZSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925791568 646484839 /nfs/dbraw/zinc/48/48/39/646484839.db2.gz BDYHAIKRXROSEB-NOOOWODRSA-N 3 0 213.369 0.947 20 0 BCADRP CCOC[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925812220 646490662 /nfs/dbraw/zinc/49/06/62/646490662.db2.gz VUKBLKQKESNJMO-NSHDSACASA-N 2 0 229.368 0.424 20 0 BCADRP C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)C1C[NH2+]C1 ZINC000925824433 646492277 /nfs/dbraw/zinc/49/22/77/646492277.db2.gz SWSGAYOCGRIVGO-FXAINCCUSA-N 2 0 210.321 0.751 20 0 BCADRP [NH3+]C1CCN(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000925817059 646492814 /nfs/dbraw/zinc/49/28/14/646492814.db2.gz MIKZANMRNCXYPE-CHWSQXEVSA-N 3 0 240.395 0.269 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817455 646493570 /nfs/dbraw/zinc/49/35/70/646493570.db2.gz SMXHRCWOVRCGIY-QWRGUYRKSA-N 3 0 228.384 0.125 20 0 BCADRP CCO[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)C[NH+](C)C ZINC000925837689 646504513 /nfs/dbraw/zinc/50/45/13/646504513.db2.gz HRHPJAKDKKXECY-UPJWGTAASA-N 2 0 243.395 0.541 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000925841120 646506869 /nfs/dbraw/zinc/50/68/69/646506869.db2.gz ZOYNTKXKOSIPAR-WOPDTQHZSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842355 646507459 /nfs/dbraw/zinc/50/74/59/646507459.db2.gz LZPJRQIJNKUKLJ-HOSYDEDBSA-N 2 0 225.336 0.372 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CNOC2)[C@@H]2CCC[C@H]21 ZINC000925859213 646512328 /nfs/dbraw/zinc/51/23/28/646512328.db2.gz GGQOSDDEPYNHRY-NOOOWODRSA-N 2 0 225.336 0.352 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000925874054 646523545 /nfs/dbraw/zinc/52/35/45/646523545.db2.gz GZSPECVSOGTVJZ-AVGNSLFASA-N 2 0 242.363 0.899 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NCCO[C@H]1CCOC1 ZINC000925873487 646524212 /nfs/dbraw/zinc/52/42/12/646524212.db2.gz APVMCEAXQKPSKT-GRYCIOLGSA-N 2 0 228.336 0.380 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NCCO[C@@H]1CCOC1 ZINC000925873491 646524572 /nfs/dbraw/zinc/52/45/72/646524572.db2.gz APVMCEAXQKPSKT-UTUOFQBUSA-N 2 0 228.336 0.380 20 0 BCADRP CCOCCOCC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000925874423 646526256 /nfs/dbraw/zinc/52/62/56/646526256.db2.gz JMLSSWROJBHSPY-SNVBAGLBSA-N 2 0 216.325 0.237 20 0 BCADRP CCOCCOCC[NH2+]C1CC[NH2+]CC1 ZINC000925875167 646526401 /nfs/dbraw/zinc/52/64/01/646526401.db2.gz PWQZEFDGNIYBHD-UHFFFAOYSA-N 2 0 216.325 0.381 20 0 BCADRP Cn1nccc1[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000925891574 646533580 /nfs/dbraw/zinc/53/35/80/646533580.db2.gz WDZZPLJVFZWGBB-CKYFFXLPSA-N 2 0 238.335 0.171 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1COC[C@@H]1C ZINC000926150847 646583472 /nfs/dbraw/zinc/58/34/72/646583472.db2.gz OFIQPVGUHGLSNO-QWHCGFSZSA-N 2 0 244.379 0.969 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723699842 711534711 /nfs/dbraw/zinc/53/47/11/711534711.db2.gz VTRWEZCHTZFPCX-MNOVXSKESA-N 2 0 216.325 0.055 20 0 BCADRP CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000724156752 711565450 /nfs/dbraw/zinc/56/54/50/711565450.db2.gz RBZSNABLCCXJOM-NOOOWODRSA-N 2 0 212.337 0.951 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892099581 711574504 /nfs/dbraw/zinc/57/45/04/711574504.db2.gz SCPAMEAYGMWSLN-BBBLOLIVSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@@H](C(=O)N(C)C1CCC([NH3+])CC1)[NH+](C)C ZINC000161506622 711603001 /nfs/dbraw/zinc/60/30/01/711603001.db2.gz SADUXELYEMULCF-WHXUTIOJSA-N 2 0 227.352 0.665 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CCC[NH3+] ZINC000720901663 711686998 /nfs/dbraw/zinc/68/69/98/711686998.db2.gz SVDGVQIWFIMOCU-WDEREUQCSA-N 2 0 225.336 0.420 20 0 BCADRP C[NH2+]CCC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069730456 711893484 /nfs/dbraw/zinc/89/34/84/711893484.db2.gz HWXWLJXVKPKTTL-SNVBAGLBSA-N 2 0 200.326 0.689 20 0 BCADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000069724255 711893508 /nfs/dbraw/zinc/89/35/08/711893508.db2.gz XWESNKIIEFVGEG-BDAKNGLRSA-N 2 0 240.269 0.970 20 0 BCADRP COC(=O)N(C)CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000701925301 712033880 /nfs/dbraw/zinc/03/38/80/712033880.db2.gz SOOLNOWZAXZELI-MNOVXSKESA-N 2 0 243.351 0.792 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(CCO[C@H]1CC1(F)F)C2 ZINC000702053974 712037097 /nfs/dbraw/zinc/03/70/97/712037097.db2.gz QWFIYSBYISZJFL-GARJFASQSA-N 2 0 246.301 0.952 20 0 BCADRP C[C@H](O)CC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702278031 712044585 /nfs/dbraw/zinc/04/45/85/712044585.db2.gz KALDZIHSRXNECK-SDDRHHMPSA-N 2 0 212.337 0.641 20 0 BCADRP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H]1CC(C)(C)OC1(C)C ZINC000709695618 712216053 /nfs/dbraw/zinc/21/60/53/712216053.db2.gz GNRCNHFSSXZJLZ-QWRGUYRKSA-N 2 0 244.379 0.832 20 0 BCADRP COC1(OC)CC[C@@H]1[NH2+]C1CCN(C)CC1 ZINC000711043007 712276148 /nfs/dbraw/zinc/27/61/48/712276148.db2.gz UGJPQBNNWLPMEH-NSHDSACASA-N 2 0 228.336 0.822 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711308308 712294026 /nfs/dbraw/zinc/29/40/26/712294026.db2.gz MTUFGWZBSOZUCV-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711387496 712296635 /nfs/dbraw/zinc/29/66/35/712296635.db2.gz ZXSOONLYZZUDDP-NSHDSACASA-N 2 0 241.379 0.690 20 0 BCADRP C(C[N@@H+]1C[C@@H]2CSC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000711534345 712310106 /nfs/dbraw/zinc/31/01/06/712310106.db2.gz MDTPPWIDNMQFFF-TXEJJXNPSA-N 2 0 241.404 0.186 20 0 BCADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711543562 712310252 /nfs/dbraw/zinc/31/02/52/712310252.db2.gz VLXBWNKHHONLJF-MXWKQRLJSA-N 2 0 212.362 0.891 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478738 712334476 /nfs/dbraw/zinc/33/44/76/712334476.db2.gz HTQIYHSBEJSQPI-WOPDTQHZSA-N 3 0 211.353 0.513 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000378860341 712363748 /nfs/dbraw/zinc/36/37/48/712363748.db2.gz OTYPFDJKWHASAK-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1[NH2+]CCN(C[C@H](O)C[NH+]2CCCC2)[C@H]1C ZINC000379455641 712385123 /nfs/dbraw/zinc/38/51/23/712385123.db2.gz OIYLVDFSIQIWSM-RWMBFGLXSA-N 2 0 241.379 0.125 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCC[NH2+]CC1 ZINC000713099778 712452957 /nfs/dbraw/zinc/45/29/57/712452957.db2.gz LJSVZOLGSVRELI-NSHDSACASA-N 2 0 241.379 0.818 20 0 BCADRP C[NH+]1CCC(C[NH2+]CC[C@@H](O)C(F)F)CC1 ZINC000716696282 712570230 /nfs/dbraw/zinc/57/02/30/712570230.db2.gz HGRBAKFUJMICJE-SNVBAGLBSA-N 2 0 236.306 0.934 20 0 BCADRP CC(C)([NH3+])CC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000379825306 712613297 /nfs/dbraw/zinc/61/32/97/712613297.db2.gz VYGGMQOBGBZCTD-SECBINFHSA-N 2 0 234.365 0.281 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876795971 712629549 /nfs/dbraw/zinc/62/95/49/712629549.db2.gz IIUNEWRDLQTJND-WQMVXFAESA-N 2 0 225.336 0.396 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876795975 712629604 /nfs/dbraw/zinc/62/96/04/712629604.db2.gz IIUNEWRDLQTJND-ZJRFNNFUSA-N 2 0 225.336 0.396 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000380176031 712706329 /nfs/dbraw/zinc/70/63/29/712706329.db2.gz XSEJPDHEYXWTSX-OLZOCXBDSA-N 2 0 241.379 0.256 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000384949632 712707089 /nfs/dbraw/zinc/70/70/89/712707089.db2.gz LMIUOGIZSBABAY-CMPLNLGQSA-N 2 0 228.336 0.332 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+][C@]23C[C@H]2COC3)CC[NH2+]1 ZINC000718028933 712736496 /nfs/dbraw/zinc/73/64/96/712736496.db2.gz XOXFSFZINIXQLE-WYUUTHIRSA-N 2 0 210.321 0.753 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000038029465 712800226 /nfs/dbraw/zinc/80/02/26/712800226.db2.gz ACBMTIJIOPACQO-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP CC(=O)NCC[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719276956 712803020 /nfs/dbraw/zinc/80/30/20/712803020.db2.gz FGTVMDQUQSTZCM-YHWZYXNKSA-N 2 0 239.363 0.585 20 0 BCADRP CC1(C)CN(CCc2cn[nH]c2)C[C@H]1[NH3+] ZINC000720797666 712866366 /nfs/dbraw/zinc/86/63/66/712866366.db2.gz FTDZNCZAINPECF-SNVBAGLBSA-N 2 0 208.309 0.621 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720898705 712874919 /nfs/dbraw/zinc/87/49/19/712874919.db2.gz KWSFPEUWYGCSKX-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP CN1CCC[C@H]2[C@@H]1CC[N@@H+]2CCOCC[NH3+] ZINC000720890347 712875383 /nfs/dbraw/zinc/87/53/83/712875383.db2.gz LRGLTITZKCHIPW-RYUDHWBXSA-N 2 0 227.352 0.130 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CCC[NH3+] ZINC000720901659 712875576 /nfs/dbraw/zinc/87/55/76/712875576.db2.gz SVDGVQIWFIMOCU-QWRGUYRKSA-N 2 0 225.336 0.420 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720896767 712876557 /nfs/dbraw/zinc/87/65/57/712876557.db2.gz DNYZAMFRMPHSFK-IJLUTSLNSA-N 2 0 239.363 0.680 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720897360 712876570 /nfs/dbraw/zinc/87/65/70/712876570.db2.gz HATCIPPQPKDZAP-GHMZBOCLSA-N 2 0 225.336 0.291 20 0 BCADRP C([C@@H]1CCOC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720932975 712880204 /nfs/dbraw/zinc/88/02/04/712880204.db2.gz YVPIOFHKKYITSK-SDDRHHMPSA-N 2 0 210.321 0.849 20 0 BCADRP O[C@@H](C[NH2+][C@@H]1CC12CCC2)C[NH+]1CCCC1 ZINC000721173798 712894504 /nfs/dbraw/zinc/89/45/04/712894504.db2.gz FXOVZSYWVVOUJI-NWDGAFQWSA-N 2 0 224.348 0.975 20 0 BCADRP C[C@H](NC(C[NH3+])C[NH3+])c1ccc(F)cc1 ZINC000381267709 710615241 /nfs/dbraw/zinc/61/52/41/710615241.db2.gz UPUWXLKEKPVFSX-QMMMGPOBSA-N 2 0 211.284 0.762 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000381715834 710684383 /nfs/dbraw/zinc/68/43/83/710684383.db2.gz LDQAPTFJRRAAGV-AEJSXWLSSA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039030340 710718420 /nfs/dbraw/zinc/71/84/20/710718420.db2.gz YVUQKLFPAIXYRN-VXGBXAGGSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000723548350 710727592 /nfs/dbraw/zinc/72/75/92/710727592.db2.gz UCYXFCMNFLJLSB-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CC[NH3+] ZINC000723909398 710734565 /nfs/dbraw/zinc/73/45/65/710734565.db2.gz NVSLTXNGUGIHFU-GHMZBOCLSA-N 2 0 248.392 0.338 20 0 BCADRP CC[C@@H]1C[N@H+](CCO[C@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000724920735 710749303 /nfs/dbraw/zinc/74/93/03/710749303.db2.gz HTWJUYHROWBMPN-AGIUHOORSA-N 2 0 242.363 0.851 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@H](C)CCCC[NH3+] ZINC000393824002 710804527 /nfs/dbraw/zinc/80/45/27/710804527.db2.gz LQQJYLSYDQJWPL-LLVKDONJSA-N 2 0 229.368 0.962 20 0 BCADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1CCC[NH2+]C1CC1 ZINC000399379644 710910791 /nfs/dbraw/zinc/91/07/91/710910791.db2.gz WCVWRHGALWWYSS-ZYHUDNBSSA-N 2 0 212.337 0.974 20 0 BCADRP CNC(=O)[C@@H](C)C[N@H+](C)CCC[NH2+]C1CC1 ZINC000382528965 710972499 /nfs/dbraw/zinc/97/24/99/710972499.db2.gz IYSPRZUGSNFZTD-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@]1(C[NH3+])CCN(CCC[NH2+]C2CC2)C1 ZINC000382532499 710972521 /nfs/dbraw/zinc/97/25/21/710972521.db2.gz JNZXIUIWZAHQMQ-LBPRGKRZSA-N 2 0 211.353 0.799 20 0 BCADRP CC(C)[N@H+](C)CCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000383360214 710979832 /nfs/dbraw/zinc/97/98/32/710979832.db2.gz WGOSZRAAVYSPSL-QSLWVIQJSA-N 2 0 237.391 0.913 20 0 BCADRP C[N@H+](CCCCCCO)C1CC([NH3+])C1 ZINC000384707740 710995736 /nfs/dbraw/zinc/99/57/36/710995736.db2.gz CQGZPVSLKDUPCW-UHFFFAOYSA-N 2 0 200.326 0.961 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000384839532 710998239 /nfs/dbraw/zinc/99/82/39/710998239.db2.gz IBAWALZUIXVXGH-MWLCHTKSSA-N 2 0 216.325 0.317 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000384839530 710998417 /nfs/dbraw/zinc/99/84/17/710998417.db2.gz IBAWALZUIXVXGH-GXSJLCMTSA-N 2 0 216.325 0.317 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000380652898 712902294 /nfs/dbraw/zinc/90/22/94/712902294.db2.gz RDNGWQYQEZNHSV-VHSXEESVSA-N 2 0 235.322 0.995 20 0 BCADRP c1cn(CCc2nc(C3CC[NH2+]CC3)no2)cn1 ZINC000385894004 711019550 /nfs/dbraw/zinc/01/95/50/711019550.db2.gz DVOUPQOBMKQDIU-UHFFFAOYSA-N 2 0 247.302 0.976 20 0 BCADRP C[C@@H](CNC1=[NH+]CCCN1C)[NH+]1CCCC1 ZINC000386598791 711033926 /nfs/dbraw/zinc/03/39/26/711033926.db2.gz UEINEQNYVUAWMS-NSHDSACASA-N 2 0 224.352 0.752 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000389664465 711085654 /nfs/dbraw/zinc/08/56/54/711085654.db2.gz STKMIYKSQJWWQN-NEPJUHHUSA-N 2 0 239.363 0.714 20 0 BCADRP CNC(=O)CC[N@H+](C)CCCCCC[NH3+] ZINC000389646010 711085663 /nfs/dbraw/zinc/08/56/63/711085663.db2.gz SVBXMTONICOVCK-UHFFFAOYSA-N 2 0 215.341 0.573 20 0 BCADRP Cn1cnc(C[NH2+]CCOCC[NH+](C)C)c1 ZINC000390223221 711108347 /nfs/dbraw/zinc/10/83/47/711108347.db2.gz ZXWDTPHKMQRNRG-UHFFFAOYSA-N 2 0 226.324 0.088 20 0 BCADRP C[C@H](C[NH2+][C@H]1CCCNC(=O)C1)C[NH+](C)C ZINC000390299726 711111962 /nfs/dbraw/zinc/11/19/62/711111962.db2.gz CBAATHGAYAVCPX-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H]1C[N@H+](CCn2cncn2)CC[C@@H]1C[NH3+] ZINC000390583762 711127049 /nfs/dbraw/zinc/12/70/49/711127049.db2.gz QBGVHQAQPSIVHG-WDEREUQCSA-N 2 0 223.324 0.195 20 0 BCADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H](CN)C1CC1 ZINC000390612052 711127795 /nfs/dbraw/zinc/12/77/95/711127795.db2.gz FJXNLWKWGQLBAU-ADEWGFFLSA-N 2 0 211.353 0.783 20 0 BCADRP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CCOCC1 ZINC000392787912 711152359 /nfs/dbraw/zinc/15/23/59/711152359.db2.gz BIFGFYJJPZYMQH-QSLWVIQJSA-N 2 0 236.359 0.999 20 0 BCADRP C[C@H](CC[NH+](C)C)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000392873022 711153661 /nfs/dbraw/zinc/15/36/61/711153661.db2.gz DVJHYAMLYFAZIM-WFQJECDVSA-N 2 0 237.391 0.913 20 0 BCADRP CO[C@H](C)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000392889506 711154192 /nfs/dbraw/zinc/15/41/92/711154192.db2.gz SFECEOFMTZUWMC-JIMTYQMOSA-N 2 0 224.348 0.997 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000393823722 711176921 /nfs/dbraw/zinc/17/69/21/711176921.db2.gz BFZOQZVGVWSSAS-FRRDWIJNSA-N 2 0 243.395 0.323 20 0 BCADRP CC[C@H]1C[N@@H+](C(COC)COC)CC[C@H]1[NH3+] ZINC000395339116 711209014 /nfs/dbraw/zinc/20/90/14/711209014.db2.gz ARNBANXJCXOXEO-CMPLNLGQSA-N 2 0 230.352 0.707 20 0 BCADRP OCC1(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000395898240 711216854 /nfs/dbraw/zinc/21/68/54/711216854.db2.gz UWCIDZOAPQXVTL-JZRPKSSGSA-N 2 0 236.359 0.735 20 0 BCADRP COC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)C1CC1 ZINC000398033414 711399824 /nfs/dbraw/zinc/39/98/24/711399824.db2.gz OIBANBJJYLVLDN-CYBMUJFWSA-N 2 0 241.379 0.424 20 0 BCADRP C[C@H]1CN(CCOC(F)F)CC[C@H]1[NH3+] ZINC000398176062 711404207 /nfs/dbraw/zinc/40/42/07/711404207.db2.gz KACHRZOUCKFAGB-JGVFFNPUSA-N 2 0 208.252 0.895 20 0 BCADRP CNC(=O)[C@H](C)C[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000381061583 710599839 /nfs/dbraw/zinc/59/98/39/710599839.db2.gz LGWUUPXPMHYVPF-MXWKQRLJSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000381268708 710614512 /nfs/dbraw/zinc/61/45/12/710614512.db2.gz UYDPOYXFRYJGBO-KXUCPTDWSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000381268710 710614548 /nfs/dbraw/zinc/61/45/48/710614548.db2.gz UYDPOYXFRYJGBO-OPRDCNLKSA-N 2 0 213.325 0.180 20 0 BCADRP [NH3+]CC1CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000724563940 710742239 /nfs/dbraw/zinc/74/22/39/710742239.db2.gz QCBPJGRKFFMAKE-RWMBFGLXSA-N 2 0 240.347 0.461 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000385007120 711002625 /nfs/dbraw/zinc/00/26/25/711002625.db2.gz WYHCNXMNTQRSTF-GFCCVEGCSA-N 2 0 228.336 0.333 20 0 BCADRP CN1CCC[NH+]=C1NCC1CC[NH+](C)CC1 ZINC000386530200 711032049 /nfs/dbraw/zinc/03/20/49/711032049.db2.gz AKAQYSJMGXOGGB-UHFFFAOYSA-N 2 0 224.352 0.609 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H](O)C1CCC1 ZINC000396715992 711363964 /nfs/dbraw/zinc/36/39/64/711363964.db2.gz OHVPCCOUFYIUOW-ZMLRMANQSA-N 2 0 212.337 0.878 20 0 BCADRP C[C@H]1NCCC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397552789 711386900 /nfs/dbraw/zinc/38/69/00/711386900.db2.gz ZLRCCFWVEZTWRH-VXGBXAGGSA-N 2 0 241.379 0.173 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075108709 711445249 /nfs/dbraw/zinc/44/52/49/711445249.db2.gz FAPWAKBHSIPZMO-SRVKXCTJSA-N 2 0 239.363 0.537 20 0 BCADRP O[C@@H]1CC[C@H](C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000383257387 711493403 /nfs/dbraw/zinc/49/34/03/711493403.db2.gz FQNFPSQOVNYKTO-XVZUFCMUSA-N 2 0 236.359 0.733 20 0 BCADRP Cc1nonc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723692461 711534115 /nfs/dbraw/zinc/53/41/15/711534115.db2.gz YETUFKYFXSMJST-SECBINFHSA-N 2 0 210.281 0.549 20 0 BCADRP CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723697862 711535036 /nfs/dbraw/zinc/53/50/36/711535036.db2.gz CXVCWMKXJDMZBG-NXEZZACHSA-N 2 0 214.309 0.609 20 0 BCADRP CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723713675 711535997 /nfs/dbraw/zinc/53/59/97/711535997.db2.gz XGUVZBBMJRHKJE-WDEREUQCSA-N 2 0 228.336 0.999 20 0 BCADRP C[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1CC[NH3+] ZINC000723907792 711544701 /nfs/dbraw/zinc/54/47/01/711544701.db2.gz ALAYZPLKAKJYRL-DGCLKSJQSA-N 2 0 236.363 0.879 20 0 BCADRP CCOC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723907915 711544806 /nfs/dbraw/zinc/54/48/06/711544806.db2.gz OTLNDGGCBSMCIV-OUAUKWLOSA-N 2 0 228.336 0.855 20 0 BCADRP CCOC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723899558 711544845 /nfs/dbraw/zinc/54/48/45/711544845.db2.gz DSLCJUDBAMSPAC-NXEZZACHSA-N 2 0 214.309 0.466 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000309061086 711585810 /nfs/dbraw/zinc/58/58/10/711585810.db2.gz VXTZSZSVAWWENH-QWRGUYRKSA-N 2 0 216.325 0.055 20 0 BCADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000724564425 711592892 /nfs/dbraw/zinc/59/28/92/711592892.db2.gz TUATZSLFDVGVFZ-WUHRBBMRSA-N 2 0 240.347 0.461 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000724601520 711596951 /nfs/dbraw/zinc/59/69/51/711596951.db2.gz TYUMNOUVFGMMFA-MROQNXINSA-N 2 0 240.347 0.461 20 0 BCADRP CC1([NH3+])CC[NH+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC000724612560 711598472 /nfs/dbraw/zinc/59/84/72/711598472.db2.gz KMEGMLHYIYPUGA-SRVKXCTJSA-N 2 0 240.347 0.604 20 0 BCADRP CO[C@@H]1CCOC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000724887087 711625477 /nfs/dbraw/zinc/62/54/77/711625477.db2.gz NXRFNZYOJFLZPD-YNEHKIRRSA-N 2 0 242.363 0.864 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000724923286 711628745 /nfs/dbraw/zinc/62/87/45/711628745.db2.gz UDDCPGUJKPMJGT-YPMHNXCESA-N 2 0 242.363 0.851 20 0 BCADRP [NH3+]CC[C@H]1CCC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724924584 711629375 /nfs/dbraw/zinc/62/93/75/711629375.db2.gz YGQCGHKTVVZWJG-OLZOCXBDSA-N 2 0 242.363 0.853 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724923856 711629397 /nfs/dbraw/zinc/62/93/97/711629397.db2.gz FOUHIIOQPNCCAI-RWMBFGLXSA-N 2 0 242.363 0.851 20 0 BCADRP C[NH+]1CCC(N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000383125982 711682751 /nfs/dbraw/zinc/68/27/51/711682751.db2.gz HSNONLFMZAQVMU-KYYPQDQFSA-N 2 0 235.375 0.667 20 0 BCADRP Cn1nncc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000394897849 711690804 /nfs/dbraw/zinc/69/08/04/711690804.db2.gz DSUPUYZABKARSC-BDAKNGLRSA-N 2 0 209.297 0.175 20 0 BCADRP COCCC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313353211 711717860 /nfs/dbraw/zinc/71/78/60/711717860.db2.gz PAQUZSVTPKLCDV-SNVBAGLBSA-N 2 0 202.298 0.073 20 0 BCADRP CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000722184856 711718119 /nfs/dbraw/zinc/71/81/19/711718119.db2.gz XHRDUMOTYLRLPR-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000257647023 711721212 /nfs/dbraw/zinc/72/12/12/711721212.db2.gz AMCNJTTWCKHVOL-NEPJUHHUSA-N 2 0 239.363 0.668 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257660875 711724693 /nfs/dbraw/zinc/72/46/93/711724693.db2.gz GHPCFEMFIAXSGI-CHWSQXEVSA-N 2 0 223.364 0.814 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000925788112 711751894 /nfs/dbraw/zinc/75/18/94/711751894.db2.gz YFCQXZDNDOMXAG-NDBYEHHHSA-N 3 0 225.380 0.949 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000160044965 711805426 /nfs/dbraw/zinc/80/54/26/711805426.db2.gz BPVLKTUPKGWBOW-NSHDSACASA-N 2 0 225.336 0.280 20 0 BCADRP CC(C)CNC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000160054547 711805709 /nfs/dbraw/zinc/80/57/09/711805709.db2.gz JFMKNSGSWVSQHH-NSHDSACASA-N 2 0 227.352 0.429 20 0 BCADRP CCOC[C@H](O)CN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000069726961 711893450 /nfs/dbraw/zinc/89/34/50/711893450.db2.gz MFYUODVFSYXRPL-TUAOUCFPSA-N 2 0 230.352 0.443 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000069724249 711893516 /nfs/dbraw/zinc/89/35/16/711893516.db2.gz AEMGIWIKYPJNER-VHSXEESVSA-N 2 0 212.293 0.363 20 0 BCADRP [NH3+]CC[C@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000069724244 711893564 /nfs/dbraw/zinc/89/35/64/711893564.db2.gz AEMGIWIKYPJNER-NXEZZACHSA-N 2 0 212.293 0.363 20 0 BCADRP COC[C@H](C[N@@H+]1CCCO[C@H](C[NH3+])C1)C(C)C ZINC000721918710 711920062 /nfs/dbraw/zinc/92/00/62/711920062.db2.gz LLZOGXYBOYVJDF-QWHCGFSZSA-N 2 0 244.379 0.955 20 0 BCADRP CO[C@H]1C[C@@H](C[N@@H+]2CC3CC2(C[NH3+])C3)C1 ZINC000721937923 711941029 /nfs/dbraw/zinc/94/10/29/711941029.db2.gz AMKMOUMRSGEWIU-CIWCUSHGSA-N 2 0 210.321 0.835 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@H](CCF)C2)C1 ZINC000700588753 711999225 /nfs/dbraw/zinc/99/92/25/711999225.db2.gz VSKSRRMKVUERFI-OUAUKWLOSA-N 2 0 216.300 0.784 20 0 BCADRP Cc1noc(CCCN(C)C[C@H](C)[NH3+])n1 ZINC000700798959 712005619 /nfs/dbraw/zinc/00/56/19/712005619.db2.gz ZUZQUKUROSIFRV-QMMMGPOBSA-N 2 0 212.297 0.590 20 0 BCADRP [NH3+]C[C@@H]1CN(CCO)CC[C@H]1C(F)(F)F ZINC000700798228 712005898 /nfs/dbraw/zinc/00/58/98/712005898.db2.gz VXYQYGUVNPHWMH-HTQZYQBOSA-N 2 0 226.242 0.438 20 0 BCADRP Cc1noc(CCCN(C)C[C@@H](C)[NH3+])n1 ZINC000700798956 712006117 /nfs/dbraw/zinc/00/61/17/712006117.db2.gz ZUZQUKUROSIFRV-MRVPVSSYSA-N 2 0 212.297 0.590 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000700932968 712010556 /nfs/dbraw/zinc/01/05/56/712010556.db2.gz WUDMNIVVMQXKLM-JTQLQIEISA-N 2 0 235.331 0.825 20 0 BCADRP COC(=O)N(C)CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000701667891 712026840 /nfs/dbraw/zinc/02/68/40/712026840.db2.gz HAOPZQBPZQTPQS-JTQLQIEISA-N 2 0 231.340 0.792 20 0 BCADRP C[C@H](C(=O)NC1CC1)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702077574 712038081 /nfs/dbraw/zinc/03/80/81/712038081.db2.gz TXSXQKRLDQCKEU-GBIKHYSHSA-N 2 0 237.347 0.195 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C1CC([NH3+])C1 ZINC000703465456 712075733 /nfs/dbraw/zinc/07/57/33/712075733.db2.gz BRIBJTMYJMBQHG-ILDUYXDCSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH+](C)CC1CC[NH+](Cc2ccc(N)nn2)CC1 ZINC000703973343 712097412 /nfs/dbraw/zinc/09/74/12/712097412.db2.gz QQOUYHXCGLBYEN-UHFFFAOYSA-N 2 0 249.362 0.832 20 0 BCADRP CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001035124388 712114311 /nfs/dbraw/zinc/11/43/11/712114311.db2.gz MKSDZRPOLCKLOF-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP CO[C@](C)(CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000705352003 712130268 /nfs/dbraw/zinc/13/02/68/712130268.db2.gz HITUCWJNUNEKMZ-WVMKXHBISA-N 2 0 242.363 0.599 20 0 BCADRP CCO[C@H]1CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000706545825 712149283 /nfs/dbraw/zinc/14/92/83/712149283.db2.gz YWKLALYIVNYLRY-LBPRGKRZSA-N 2 0 227.352 0.002 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H]1C ZINC000706763302 712154405 /nfs/dbraw/zinc/15/44/05/712154405.db2.gz PPQAJDYYXIMFND-QWRGUYRKSA-N 2 0 200.326 0.782 20 0 BCADRP CSC1CC([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000708274565 712184609 /nfs/dbraw/zinc/18/46/09/712184609.db2.gz PJUCGZQAKNYJEI-CXQJBGSLSA-N 2 0 244.404 0.927 20 0 BCADRP C[C@H]1COC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709463326 712222424 /nfs/dbraw/zinc/22/24/24/712222424.db2.gz DUZLLFAQGBMEGE-LAVVOLMRSA-N 2 0 210.321 0.894 20 0 BCADRP CCc1ccccc1CNC(C[NH3+])C[NH3+] ZINC000710087199 712245158 /nfs/dbraw/zinc/24/51/58/712245158.db2.gz WKWKBOFFUWPTRZ-UHFFFAOYSA-N 2 0 207.321 0.625 20 0 BCADRP C[N@H+](CCCCCC[NH3+])[C@H]1CCOC1=O ZINC000710713401 712254586 /nfs/dbraw/zinc/25/45/86/712254586.db2.gz ICMCABXLBKLKHP-JTQLQIEISA-N 2 0 214.309 0.753 20 0 BCADRP C[NH+](C)CC1(O)CC[NH+](CCCF)CC1 ZINC000710641776 712264912 /nfs/dbraw/zinc/26/49/12/712264912.db2.gz KYNOWWYLWDZABV-UHFFFAOYSA-N 2 0 218.316 0.735 20 0 BCADRP C[NH+](C)CC1(O)CC[NH+](CCCCCO)CC1 ZINC000710665186 712265475 /nfs/dbraw/zinc/26/54/75/712265475.db2.gz OQYYJEDQGRUTTA-UHFFFAOYSA-N 2 0 244.379 0.538 20 0 BCADRP COC1(OC)CC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000710995776 712273457 /nfs/dbraw/zinc/27/34/57/712273457.db2.gz NQIWHIYQJADWIB-NSHDSACASA-N 2 0 246.351 0.306 20 0 BCADRP COC1(OC)CC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000710995772 712273697 /nfs/dbraw/zinc/27/36/97/712273697.db2.gz NQIWHIYQJADWIB-LLVKDONJSA-N 2 0 246.351 0.306 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CC1(C)C)[NH+](C)C ZINC000711250282 712290622 /nfs/dbraw/zinc/29/06/22/712290622.db2.gz OIGACFJDPBSRRJ-UWVGGRQHSA-N 2 0 227.352 0.298 20 0 BCADRP O=C(N1CCC[NH2+]CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711249982 712290706 /nfs/dbraw/zinc/29/07/06/712290706.db2.gz ISRAFJQHQSXCTR-YPMHNXCESA-N 2 0 237.347 0.341 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711254227 712291041 /nfs/dbraw/zinc/29/10/41/712291041.db2.gz WEHXYRUTYXSPMF-SNVBAGLBSA-N 2 0 227.352 0.300 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000711308647 712294083 /nfs/dbraw/zinc/29/40/83/712294083.db2.gz AWDXRIUKKSEMHF-MNOVXSKESA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H](CCNC(=O)[C@H]1C[NH2+]CC1(C)C)[NH+](C)C ZINC000711383927 712298156 /nfs/dbraw/zinc/29/81/56/712298156.db2.gz FYXWGIPXUSDMAL-WDEREUQCSA-N 2 0 241.379 0.688 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](CF)C1 ZINC000711440214 712300980 /nfs/dbraw/zinc/30/09/80/712300980.db2.gz CWIGEDKNRYJUTP-JTQLQIEISA-N 2 0 204.289 0.643 20 0 BCADRP O[C@@H](CN1CC[C@H](CF)C1)C[NH+]1CCCC1 ZINC000711471370 712303096 /nfs/dbraw/zinc/30/30/96/712303096.db2.gz SQCOQDKGBQHSRX-VXGBXAGGSA-N 2 0 230.327 0.735 20 0 BCADRP O[C@H](CN1CC[C@@H](CF)C1)C[NH+]1CCCC1 ZINC000711471367 712303425 /nfs/dbraw/zinc/30/34/25/712303425.db2.gz SQCOQDKGBQHSRX-RYUDHWBXSA-N 2 0 230.327 0.735 20 0 BCADRP O[C@H](C[NH2+]C[C@@H]1C=CCC1)C[NH+]1CCCC1 ZINC000711653877 712314204 /nfs/dbraw/zinc/31/42/04/712314204.db2.gz FXAUGTNRHXKKHY-CHWSQXEVSA-N 2 0 224.348 0.999 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C[C@H]1CCC[NH2+]1 ZINC000923434879 712322360 /nfs/dbraw/zinc/32/23/60/712322360.db2.gz BPUNPGXTAZHYEC-NNYUYHANSA-N 2 0 211.353 0.809 20 0 BCADRP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)OC1CC1 ZINC000711755680 712324724 /nfs/dbraw/zinc/32/47/24/712324724.db2.gz YCHRNXOTGBTSLF-JQWIXIFHSA-N 2 0 210.321 0.849 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923479773 712334150 /nfs/dbraw/zinc/33/41/50/712334150.db2.gz SOIIPACRTSXBEU-RYUDHWBXSA-N 3 0 239.363 0.036 20 0 BCADRP NC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923487805 712334232 /nfs/dbraw/zinc/33/42/32/712334232.db2.gz NVYFLOLFURCTOY-WCQYABFASA-N 2 0 247.342 0.884 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923479776 712334237 /nfs/dbraw/zinc/33/42/37/712334237.db2.gz SOIIPACRTSXBEU-VXGBXAGGSA-N 3 0 239.363 0.036 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC[C@H](O)C[NH+](C)C1CC1 ZINC000712577587 712432761 /nfs/dbraw/zinc/43/27/61/712432761.db2.gz GTYNJGOTMVJWCR-OLZOCXBDSA-N 2 0 241.379 0.125 20 0 BCADRP C[C@@H](C(=O)N1CC[N@H+](C)C(C)(C)CC1)[C@H](C)[NH3+] ZINC000712672061 712440565 /nfs/dbraw/zinc/44/05/65/712440565.db2.gz GANSASAYGXPONF-MNOVXSKESA-N 2 0 241.379 0.912 20 0 BCADRP CN1CC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000712558488 712445668 /nfs/dbraw/zinc/44/56/68/712445668.db2.gz PQRCPAHXDWTULI-JHJVBQTASA-N 2 0 223.364 0.907 20 0 BCADRP C[C@@H]1CCC[N@H+](CCn2cnnn2)[C@@H]1CC[NH3+] ZINC000712574852 712448289 /nfs/dbraw/zinc/44/82/89/712448289.db2.gz DNJOXHMOKWJFBS-GHMZBOCLSA-N 2 0 238.339 0.122 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000713223678 712455576 /nfs/dbraw/zinc/45/55/76/712455576.db2.gz ABHSTHKYPNMQKA-NRUUGDAUSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713241298 712456002 /nfs/dbraw/zinc/45/60/02/712456002.db2.gz YPGCATFXGNIBED-NOHGZBONSA-N 2 0 239.363 0.570 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713238895 712456060 /nfs/dbraw/zinc/45/60/60/712456060.db2.gz HLWMMTIDJCBDCJ-MDZLAQPJSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715144724 712511984 /nfs/dbraw/zinc/51/19/84/712511984.db2.gz RJECPABMWPXEJJ-IUCAKERBSA-N 2 0 249.305 0.284 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715562454 712528602 /nfs/dbraw/zinc/52/86/02/712528602.db2.gz POGKKVMNTFOBMG-VWYCJHECSA-N 2 0 227.352 0.713 20 0 BCADRP CC1(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)OCCO1 ZINC000716033749 712547286 /nfs/dbraw/zinc/54/72/86/712547286.db2.gz NKVOHBALXNBIIH-GHMZBOCLSA-N 2 0 240.347 0.999 20 0 BCADRP C[C@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)C1C[NH2+]C1 ZINC000716772510 712573012 /nfs/dbraw/zinc/57/30/12/712573012.db2.gz NXFZFUOXDHWLEN-CABZTGNLSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)C1C[NH2+]C1 ZINC000716772509 712573016 /nfs/dbraw/zinc/57/30/16/712573016.db2.gz NXFZFUOXDHWLEN-BXKDBHETSA-N 2 0 237.347 0.195 20 0 BCADRP CC1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])OCCO1 ZINC000716792784 712573964 /nfs/dbraw/zinc/57/39/64/712573964.db2.gz JDUUUIUCQIFQCX-WDEREUQCSA-N 2 0 228.336 0.857 20 0 BCADRP CC[N@@H+]1CCC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925489839 712615561 /nfs/dbraw/zinc/61/55/61/712615561.db2.gz AOPCVFHLKMMUDV-VXGBXAGGSA-N 2 0 227.352 0.049 20 0 BCADRP CN1CC[NH+]=C1NC[C@@H]1CCC[N@H+](C)C1 ZINC000379870114 712619494 /nfs/dbraw/zinc/61/94/94/712619494.db2.gz QDKBXMCJCLRKAA-JTQLQIEISA-N 2 0 210.325 0.219 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)CC[NH2+]CC1CC1 ZINC000717225863 712640504 /nfs/dbraw/zinc/64/05/04/712640504.db2.gz GNWOBKRLGIYZRG-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000884016036 712643365 /nfs/dbraw/zinc/64/33/65/712643365.db2.gz KZNSQPPCOGUAOC-VHSXEESVSA-N 2 0 227.352 0.474 20 0 BCADRP OC[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CCC1 ZINC000717604254 712662022 /nfs/dbraw/zinc/66/20/22/712662022.db2.gz PULZRUWYCKXIJB-VZKILSJISA-N 2 0 236.359 0.733 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000380026400 712683208 /nfs/dbraw/zinc/68/32/08/712683208.db2.gz FKKYFQFSMSWCKZ-NEPJUHHUSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000380090126 712685522 /nfs/dbraw/zinc/68/55/22/712685522.db2.gz GNYTZPCIMLVORW-XQQFMLRXSA-N 2 0 241.379 0.112 20 0 BCADRP [NH3+]C[C@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000037718547 712750021 /nfs/dbraw/zinc/75/00/21/712750021.db2.gz ZUOKONJYIWGUFJ-GFCCVEGCSA-N 2 0 205.305 0.905 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000038029529 712800187 /nfs/dbraw/zinc/80/01/87/712800187.db2.gz QYAVDCGLPUFQQV-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H](CNC(=O)CCC[NH3+])[NH+]1CCCCC1 ZINC000038029494 712800432 /nfs/dbraw/zinc/80/04/32/712800432.db2.gz RIWWWDCZHWWFLV-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP C[C@@H](CNC(=O)CCCCC[NH3+])[NH+](C)C ZINC000038089238 712806776 /nfs/dbraw/zinc/80/67/76/712806776.db2.gz NATSGWRWYHRALU-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP C[C@@H]1[C@@H](NC[C@@H](O)C[NH+](C)C2CC2)CC[N@@H+]1C ZINC000719634349 712815154 /nfs/dbraw/zinc/81/51/54/712815154.db2.gz BLGYUSGOPPUTFS-RTXFEEFZSA-N 2 0 241.379 0.124 20 0 BCADRP C[NH2+]CCN(C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000720748891 712863569 /nfs/dbraw/zinc/86/35/69/712863569.db2.gz QZCZBEMGFPVULW-ZDUSSCGKSA-N 2 0 243.395 0.373 20 0 BCADRP CC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720802384 712866497 /nfs/dbraw/zinc/86/64/97/712866497.db2.gz BONZIZPJTZBPRC-HRDYMLBCSA-N 2 0 240.269 0.826 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CC[NH3+] ZINC000720886018 712874535 /nfs/dbraw/zinc/87/45/35/712874535.db2.gz GSBVTDUHXIRHII-VHSXEESVSA-N 2 0 211.309 0.030 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C1([NH3+])CC1 ZINC000720884551 712874632 /nfs/dbraw/zinc/87/46/32/712874632.db2.gz CCRCQZDKMZPGLD-UWVGGRQHSA-N 2 0 223.320 0.173 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720898701 712874898 /nfs/dbraw/zinc/87/48/98/712874898.db2.gz KWSFPEUWYGCSKX-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]CCCN1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720899757 712874979 /nfs/dbraw/zinc/87/49/79/712874979.db2.gz MVQMXFBRXHAOHS-NEPJUHHUSA-N 2 0 211.353 0.764 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720898675 712875182 /nfs/dbraw/zinc/87/51/82/712875182.db2.gz KQCQDSXKIWEKQG-SDDRHHMPSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720898764 712875331 /nfs/dbraw/zinc/87/53/31/712875331.db2.gz LDQCHINXUBFPQF-BJDJZHNGSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720898766 712875437 /nfs/dbraw/zinc/87/54/37/712875437.db2.gz LDQCHINXUBFPQF-FIQHERPVSA-N 2 0 239.363 0.665 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720904073 712875824 /nfs/dbraw/zinc/87/58/24/712875824.db2.gz WGWKBLQNRYCSSF-MXWKQRLJSA-N 2 0 225.336 0.419 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000720901454 712875830 /nfs/dbraw/zinc/87/58/30/712875830.db2.gz SALRTASNGGPNAT-DDHJBXDOSA-N 2 0 237.347 0.419 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C[NH2+]C1CC1 ZINC000720904082 712876145 /nfs/dbraw/zinc/87/61/45/712876145.db2.gz WOYQZWDYQAPBGX-NWDGAFQWSA-N 2 0 237.347 0.434 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C[C@H]1CCC[NH2+]1 ZINC000720896249 712876533 /nfs/dbraw/zinc/87/65/33/712876533.db2.gz PVSURXCYYHJAKG-JHJVBQTASA-N 2 0 223.364 0.907 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720897368 712876549 /nfs/dbraw/zinc/87/65/49/712876549.db2.gz HATCIPPQPKDZAP-QWRGUYRKSA-N 2 0 225.336 0.291 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720897372 712876613 /nfs/dbraw/zinc/87/66/13/712876613.db2.gz HATCIPPQPKDZAP-WDEREUQCSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720895500 712876849 /nfs/dbraw/zinc/87/68/49/712876849.db2.gz XWGJZHOOZNRBSB-KXUCPTDWSA-N 2 0 211.309 0.029 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@H]2C[C@H](O)C2)CC1 ZINC000720961515 712883787 /nfs/dbraw/zinc/88/37/87/712883787.db2.gz BEOPGLDHDCKVRC-UMSPYCQHSA-N 2 0 212.337 0.831 20 0 BCADRP O[C@H]1C[C@H](C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000720979059 712885149 /nfs/dbraw/zinc/88/51/49/712885149.db2.gz YSTCFSQUPNXZRL-UJPLBGJFSA-N 2 0 222.332 0.343 20 0 BCADRP CC(C)N(CC(N)=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721038789 712887706 /nfs/dbraw/zinc/88/77/06/712887706.db2.gz UPJTWENKLUDONR-ZJUUUORDSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)CC(=O)NC1CC1 ZINC000721039322 712887758 /nfs/dbraw/zinc/88/77/58/712887758.db2.gz GICKWXWEFPTFAC-ZJUUUORDSA-N 2 0 225.336 0.052 20 0 BCADRP CNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000721040678 712888161 /nfs/dbraw/zinc/88/81/61/712888161.db2.gz WQOXFIHXOCRZNV-UTUOFQBUSA-N 2 0 239.363 0.300 20 0 BCADRP C[N@@H+]1CCO[C@H]2CN(c3cc(N)cc[nH+]3)C[C@H]21 ZINC001164670436 719369322 /nfs/dbraw/zinc/36/93/22/719369322.db2.gz UUTOJRJBDUTJJM-MNOVXSKESA-N 2 0 234.303 0.183 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc(C[NH3+])ncn1 ZINC001164633643 719181251 /nfs/dbraw/zinc/18/12/51/719181251.db2.gz HWGDZDIUXRRRML-VHSXEESVSA-N 2 0 235.335 0.464 20 0 BCADRP CC(C)C[NH+]1CCN(c2cc(C[NH3+])ncn2)CC1 ZINC000310983023 719331656 /nfs/dbraw/zinc/33/16/56/719331656.db2.gz YFSZWFYLTAVOKW-UHFFFAOYSA-N 2 0 249.362 0.713 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(c2cc(C[NH3+])ncn2)C1 ZINC000383876384 721889128 /nfs/dbraw/zinc/88/91/28/721889128.db2.gz BYPUVJVGOFWLLY-LLVKDONJSA-N 2 0 235.335 0.466 20 0 BCADRP C[N@H+](CCNC(=O)CC[NH2+]C1CC1)C1CC1 ZINC000062010189 349436689 /nfs/dbraw/zinc/43/66/89/349436689.db2.gz KNUNDHMRHZYAEL-UHFFFAOYSA-N 2 0 225.336 0.339 20 0 BCADRP CC[NH2+]CCNC(=O)NCC[N@H+]1CC=CCC1 ZINC000418330678 192025308 /nfs/dbraw/zinc/02/53/08/192025308.db2.gz WHUIITAQOPOPLL-UHFFFAOYSA-N 2 0 240.351 0.157 20 0 BCADRP C[NH2+]CCNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000418333059 192025443 /nfs/dbraw/zinc/02/54/43/192025443.db2.gz RNKYOKPDNRONRY-UHFFFAOYSA-N 2 0 242.367 0.333 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@H](C)C[NH3+] ZINC000336679286 168321233 /nfs/dbraw/zinc/32/12/33/168321233.db2.gz AHYJUDFWXUDVKO-SECBINFHSA-N 2 0 215.341 0.463 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000228765320 168321810 /nfs/dbraw/zinc/32/18/10/168321810.db2.gz MFDHLWFVXMXZFT-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649322655 398144607 /nfs/dbraw/zinc/14/46/07/398144607.db2.gz CTSBPLBCNJVZFY-NDBYEHHHSA-N 2 0 249.358 0.052 20 0 BCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649322627 398144635 /nfs/dbraw/zinc/14/46/35/398144635.db2.gz AUCQBSUMAHAYQY-LPWJVIDDSA-N 2 0 249.358 0.337 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000153239004 136212778 /nfs/dbraw/zinc/21/27/78/136212778.db2.gz PXVOZVYZVUQVSD-QWRGUYRKSA-N 2 0 227.352 0.535 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643160 398146887 /nfs/dbraw/zinc/14/68/87/398146887.db2.gz LHMCVLQONOLWFA-ZNSHCXBVSA-N 2 0 225.336 0.241 20 0 BCADRP NC(=O)CC[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000257780751 349483859 /nfs/dbraw/zinc/48/38/59/349483859.db2.gz LRTPEPSZFLQQDI-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)C2([NH3+])CCCC2)C1 ZINC000649342228 398158706 /nfs/dbraw/zinc/15/87/06/398158706.db2.gz VEAFVWBFRIOJGL-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)CCC(C)(C)[NH3+])C1 ZINC000649341938 398159019 /nfs/dbraw/zinc/15/90/19/398159019.db2.gz AYWZTVUXDRRRBF-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1C ZINC000649333346 398149855 /nfs/dbraw/zinc/14/98/55/398149855.db2.gz NQNHGZLCUPKNKP-RNWYCLNJSA-N 2 0 237.347 0.051 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000649335037 398152437 /nfs/dbraw/zinc/15/24/37/398152437.db2.gz AJWOPASRQJASKX-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000649335046 398152492 /nfs/dbraw/zinc/15/24/92/398152492.db2.gz ARIVPEUHHDRKNJ-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000649341526 398157964 /nfs/dbraw/zinc/15/79/64/398157964.db2.gz DKZSJFLXDQPWSM-RYUDHWBXSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000516968824 398169167 /nfs/dbraw/zinc/16/91/67/398169167.db2.gz QDOWRFDRSASJCJ-VHSXEESVSA-N 2 0 244.383 0.739 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000390358319 398170117 /nfs/dbraw/zinc/17/01/17/398170117.db2.gz QYTZRKJLVYQMQM-LLVKDONJSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H]([NH3+])CNC(=O)c1sccc1C[NH+](C)C ZINC000649359997 398172843 /nfs/dbraw/zinc/17/28/43/398172843.db2.gz VDWVVFCYUAZCSO-QMMMGPOBSA-N 2 0 241.360 0.887 20 0 BCADRP C[C@@H](C(=O)N1CC[C@](C)(C[NH3+])C1)[NH+](C)C ZINC000649360345 398172856 /nfs/dbraw/zinc/17/28/56/398172856.db2.gz CADZCDDLVOFHQS-GXSJLCMTSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)CC(C)(C)[NH3+] ZINC000390627642 398177706 /nfs/dbraw/zinc/17/77/06/398177706.db2.gz KGGJONZYZFXPFK-SECBINFHSA-N 2 0 215.341 0.748 20 0 BCADRP C[C@@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)[NH+](C)C ZINC000649366963 398179759 /nfs/dbraw/zinc/17/97/59/398179759.db2.gz KINXPQJQQSRZMH-ONGXEEELSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)[C@@H](C)O ZINC000519765444 398180882 /nfs/dbraw/zinc/18/08/82/398180882.db2.gz JERQPKHLUWLPCY-VXGBXAGGSA-N 2 0 232.368 0.704 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H]([NH3+])Cc2ccccc21)[NH+](C)C ZINC000649368848 398182265 /nfs/dbraw/zinc/18/22/65/398182265.db2.gz AOMFORJLYMQGCR-JQWIXIFHSA-N 2 0 247.342 0.853 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649348656 398162199 /nfs/dbraw/zinc/16/21/99/398162199.db2.gz PXGIMJUDZMXHSG-VXJWHYQWSA-N 2 0 249.358 0.336 20 0 BCADRP C[C@H](O)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000649351919 398164117 /nfs/dbraw/zinc/16/41/17/398164117.db2.gz QSODNGJAMUXEKQ-LBPRGKRZSA-N 2 0 235.331 0.975 20 0 BCADRP CC[N@@H+]1C[C@@H](C)[C@@H](NCC[NH2+]CCOC)C1 ZINC000423343894 398166270 /nfs/dbraw/zinc/16/62/70/398166270.db2.gz WJPNAXWEDLZHCA-NEPJUHHUSA-N 2 0 229.368 0.152 20 0 BCADRP CC(C)C[N@H+](CC[C@@H]1CC[NH2+]C1)CC(N)=O ZINC000396740386 398167139 /nfs/dbraw/zinc/16/71/39/398167139.db2.gz OWMSCBRZKHVKIC-NSHDSACASA-N 2 0 227.352 0.429 20 0 BCADRP CC[C@@H](CO)[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000072797911 398187079 /nfs/dbraw/zinc/18/70/79/398187079.db2.gz FSPVZZLZZWDNDS-NSHDSACASA-N 2 0 238.335 0.298 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000576228522 365529749 /nfs/dbraw/zinc/52/97/49/365529749.db2.gz VUIOAIHHMUHOIA-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1cnccn1 ZINC000576230623 365531186 /nfs/dbraw/zinc/53/11/86/365531186.db2.gz IVTNBMMWTCQRIZ-LLVKDONJSA-N 2 0 220.320 0.908 20 0 BCADRP CC(C)([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000576236658 365532282 /nfs/dbraw/zinc/53/22/82/365532282.db2.gz YZVRBKPAWJITRM-UHFFFAOYSA-N 2 0 225.336 0.454 20 0 BCADRP OC[C@H](CC(F)F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647795567 398196762 /nfs/dbraw/zinc/19/67/62/398196762.db2.gz RZAUSRZULXQKMC-YTWAJWBKSA-N 2 0 248.317 0.980 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000446391554 398204305 /nfs/dbraw/zinc/20/43/05/398204305.db2.gz AGLLMHYGVAPDAD-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000446396497 398204533 /nfs/dbraw/zinc/20/45/33/398204533.db2.gz KCOBAGYGJZXEGU-MNOVXSKESA-N 2 0 227.352 0.713 20 0 BCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CC[NH3+] ZINC000237079502 187327922 /nfs/dbraw/zinc/32/79/22/187327922.db2.gz BBXALNIXUNHZPG-SNVBAGLBSA-N 2 0 213.325 0.135 20 0 BCADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000576291659 365555333 /nfs/dbraw/zinc/55/53/33/365555333.db2.gz OQNWUJBSVUZESM-KKOKHZNYSA-N 2 0 239.363 0.761 20 0 BCADRP CCNCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000643505392 398213902 /nfs/dbraw/zinc/21/39/02/398213902.db2.gz WSKYACBCFCQRCH-LLVKDONJSA-N 3 0 213.369 0.916 20 0 BCADRP CN(C[C@@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000649412604 398215063 /nfs/dbraw/zinc/21/50/63/398215063.db2.gz WWIDQCBKOCXMSE-YPMHNXCESA-N 2 0 223.364 0.764 20 0 BCADRP Cc1cc(C)n(CC[NH2+]CC2([NH3+])CCC2)n1 ZINC000649415672 398215190 /nfs/dbraw/zinc/21/51/90/398215190.db2.gz DKZOFEXMWKXOEW-UHFFFAOYSA-N 2 0 222.336 0.971 20 0 BCADRP Cc1noc(CCC[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000576346688 365571569 /nfs/dbraw/zinc/57/15/69/365571569.db2.gz VNBGPJQGKZHYHM-MWLCHTKSSA-N 2 0 238.335 0.980 20 0 BCADRP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H](C)O ZINC000386680846 398216157 /nfs/dbraw/zinc/21/61/57/398216157.db2.gz IFBUMRZMDJKMBW-WOPDTQHZSA-N 2 0 230.352 0.192 20 0 BCADRP [NH3+][C@@H](CNC(=O)C[NH2+]CC1CC1)c1ccccc1 ZINC000262596852 398216369 /nfs/dbraw/zinc/21/63/69/398216369.db2.gz VMKWFJLWXWEUOR-ZDUSSCGKSA-N 2 0 247.342 0.802 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)N(C)CCC[NH3+])CC[N@@H+]1C ZINC000576361078 365577724 /nfs/dbraw/zinc/57/77/24/365577724.db2.gz MMLJVUSBFHDLNO-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP CCn1cc(CN(C)C[C@@H]2CC[NH2+]C2)cn1 ZINC000649413543 398211867 /nfs/dbraw/zinc/21/18/67/398211867.db2.gz HMAQSYUZJKDVTE-LLVKDONJSA-N 2 0 222.336 0.944 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000573205487 398212486 /nfs/dbraw/zinc/21/24/86/398212486.db2.gz VEBHPKIWFDTWSL-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCCC[NH3+])C[C@H]1C ZINC000418367177 192028970 /nfs/dbraw/zinc/02/89/70/192028970.db2.gz ZDIQPMBKLLXWOG-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP c1cnn(CCN2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000649419368 398220619 /nfs/dbraw/zinc/22/06/19/398220619.db2.gz MYUPURGDHOSUEF-NEPJUHHUSA-N 2 0 220.320 0.567 20 0 BCADRP C(CN1CC[C@@H]2CC[NH2+][C@H]2C1)N1CCOCC1 ZINC000649419286 398220822 /nfs/dbraw/zinc/22/08/22/398220822.db2.gz KVWNODAVILRBIU-STQMWFEESA-N 2 0 239.363 0.002 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000262441355 187330859 /nfs/dbraw/zinc/33/08/59/187330859.db2.gz NHBBVGPMASSEFJ-NSHDSACASA-N 2 0 235.331 0.410 20 0 BCADRP CC(C)(C[NH3+])NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000262946680 187331584 /nfs/dbraw/zinc/33/15/84/187331584.db2.gz BYRDRIQJAAZKJK-LLVKDONJSA-N 2 0 235.331 0.930 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062972912 192028615 /nfs/dbraw/zinc/02/86/15/192028615.db2.gz NUVZVGABGFADQH-NEPJUHHUSA-N 2 0 239.363 0.666 20 0 BCADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCCC[NH3+])C[C@@H]1C ZINC000418367183 192028634 /nfs/dbraw/zinc/02/86/34/192028634.db2.gz ZDIQPMBKLLXWOG-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000418365734 192028752 /nfs/dbraw/zinc/02/87/52/192028752.db2.gz FEUXMUOICBOFGZ-GARJFASQSA-N 2 0 242.367 0.234 20 0 BCADRP O=C(CCN1CCC(F)(F)C1)N1CC[NH2+]CC1 ZINC000313415498 398229570 /nfs/dbraw/zinc/22/95/70/398229570.db2.gz YAYFFGNJHGWRKK-UHFFFAOYSA-N 2 0 247.289 0.149 20 0 BCADRP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418396190 192033048 /nfs/dbraw/zinc/03/30/48/192033048.db2.gz ZKYUDCXILVGZJN-LLVKDONJSA-N 2 0 242.367 0.330 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NCC1([NH3+])CCC1 ZINC000418397669 192033098 /nfs/dbraw/zinc/03/30/98/192033098.db2.gz DMZZARBCJIJJOP-SECBINFHSA-N 2 0 228.340 0.150 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418397152 192033153 /nfs/dbraw/zinc/03/31/53/192033153.db2.gz BTDDFKAOPZVJSP-VWYCJHECSA-N 2 0 242.367 0.540 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418382977 192030914 /nfs/dbraw/zinc/03/09/14/192030914.db2.gz MTYKMFZWPMCZKI-VHSXEESVSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418385198 192031412 /nfs/dbraw/zinc/03/14/12/192031412.db2.gz PXZTWFFTJJVJCT-VWYCJHECSA-N 2 0 240.351 0.036 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418394398 192032305 /nfs/dbraw/zinc/03/23/05/192032305.db2.gz RRCXLYWNIMCJOT-VHSXEESVSA-N 2 0 230.356 0.124 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418396275 192032732 /nfs/dbraw/zinc/03/27/32/192032732.db2.gz HZQUZDOCZPNYDH-JTQLQIEISA-N 2 0 242.367 0.540 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418405249 192033494 /nfs/dbraw/zinc/03/34/94/192033494.db2.gz JZFXMPBXCJJIMM-VWYCJHECSA-N 2 0 242.367 0.398 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418405240 192033729 /nfs/dbraw/zinc/03/37/29/192033729.db2.gz JZFXMPBXCJJIMM-GMTAPVOTSA-N 2 0 242.367 0.398 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418407833 192033912 /nfs/dbraw/zinc/03/39/12/192033912.db2.gz MCTLHTWGNLVLKW-XWLWVQCSSA-N 2 0 242.367 0.539 20 0 BCADRP CCC[NH2+]CCNC(=O)NCC(C)(C)[NH3+] ZINC000418411472 192034227 /nfs/dbraw/zinc/03/42/27/192034227.db2.gz FTMDKMHOQBUJPJ-UHFFFAOYSA-N 2 0 216.329 0.023 20 0 BCADRP CC(C)(C[NH3+])NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418411701 192034461 /nfs/dbraw/zinc/03/44/61/192034461.db2.gz PNGXRELLWCXKKJ-UWVGGRQHSA-N 2 0 242.367 0.540 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418413184 192034551 /nfs/dbraw/zinc/03/45/51/192034551.db2.gz YODXYZXYVXQYJZ-SNVBAGLBSA-N 2 0 228.340 0.023 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NCC[C@H](C)[NH3+] ZINC000418411206 192034592 /nfs/dbraw/zinc/03/45/92/192034592.db2.gz QCDQFGYEUBJPHT-DTWKUNHWSA-N 2 0 216.329 0.006 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000430759002 398230882 /nfs/dbraw/zinc/23/08/82/398230882.db2.gz FAWGICLFOIDAFB-HBNTYKKESA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418417398 192035024 /nfs/dbraw/zinc/03/50/24/192035024.db2.gz VEFFMIXJZQRSBR-LPEHRKFASA-N 2 0 228.340 0.150 20 0 BCADRP C[C@@H](CNC(=O)C[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000430759981 398231144 /nfs/dbraw/zinc/23/11/44/398231144.db2.gz HTTZKBDUMIKJRV-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@H]([NH3+])C1 ZINC000418413340 192035207 /nfs/dbraw/zinc/03/52/07/192035207.db2.gz QQVGUKAXHIMOOK-DCAQKATOSA-N 2 0 240.351 0.247 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000418403272 192033304 /nfs/dbraw/zinc/03/33/04/192033304.db2.gz JEODAOVYJNGYFF-GMTAPVOTSA-N 2 0 242.367 0.348 20 0 BCADRP C[NH+](CC(=O)NCC[N@@H+](C)C1CC1)C1CCC1 ZINC000629952155 361796927 /nfs/dbraw/zinc/79/69/27/361796927.db2.gz KMTDDEOYJRQVIC-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC000629955751 361799908 /nfs/dbraw/zinc/79/99/08/361799908.db2.gz MIJKSRHYPSPIAB-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418417947 192035331 /nfs/dbraw/zinc/03/53/31/192035331.db2.gz WYIACBYTNYZHFE-HBNTYKKESA-N 2 0 242.367 0.539 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418438465 192035574 /nfs/dbraw/zinc/03/55/74/192035574.db2.gz DWSRGQSYYUJBEL-MNOVXSKESA-N 2 0 242.367 0.540 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N(C)C1CC([NH3+])C1 ZINC000418440905 192035624 /nfs/dbraw/zinc/03/56/24/192035624.db2.gz LHJYSCBBQVDLFG-HSOILSAZSA-N 2 0 242.367 0.491 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000418442368 192036315 /nfs/dbraw/zinc/03/63/15/192036315.db2.gz MVVQCFPBLDIPCL-UWVGGRQHSA-N 2 0 230.356 0.348 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N(C)C1CC([NH3+])C1 ZINC000418442982 192036779 /nfs/dbraw/zinc/03/67/79/192036779.db2.gz KQGIEEXOSIIMEJ-YVNMAJEFSA-N 2 0 242.367 0.635 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](C)C[NH3+] ZINC000418446590 192036806 /nfs/dbraw/zinc/03/68/06/192036806.db2.gz OCYZKKSAPNGIHM-UWVGGRQHSA-N 2 0 230.356 0.398 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NCC[NH2+]CCC ZINC000418447344 192036593 /nfs/dbraw/zinc/03/65/93/192036593.db2.gz PHMGYPQJFQDAIF-NSHDSACASA-N 2 0 244.383 0.803 20 0 BCADRP C[C@H]1CN(CC[NH+]2CCC(C[NH3+])CC2)CCO1 ZINC000576465525 365603808 /nfs/dbraw/zinc/60/38/08/365603808.db2.gz DXQIXMXAQJJPIE-LBPRGKRZSA-N 2 0 241.379 0.378 20 0 BCADRP C[C@H](CC(C)(C)C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000576506889 365611536 /nfs/dbraw/zinc/61/15/36/365611536.db2.gz LLWCBKMBMABEDQ-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]([NH3+])[C@H](C)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000381251904 398244502 /nfs/dbraw/zinc/24/45/02/398244502.db2.gz PSQHLUJXVDLKJE-BIIVOSGPSA-N 2 0 210.281 0.945 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)N[C@H](C[NH3+])CC(C)C)C1 ZINC000418422648 192037076 /nfs/dbraw/zinc/03/70/76/192037076.db2.gz BCGKSLDGFZFLGF-QWRGUYRKSA-N 2 0 242.367 0.363 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@H](C)C[NH3+] ZINC000418448266 192037383 /nfs/dbraw/zinc/03/73/83/192037383.db2.gz QLCKYAHGYAONRA-RKDXNWHRSA-N 2 0 216.329 0.150 20 0 BCADRP C[C@H]1OCC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336778246 398245337 /nfs/dbraw/zinc/24/53/37/398245337.db2.gz KUICDSLTQALJAC-GHMZBOCLSA-N 2 0 228.336 0.210 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000576584221 365630357 /nfs/dbraw/zinc/63/03/57/365630357.db2.gz BLXHHCUEEQBILB-CYBMUJFWSA-N 2 0 235.331 0.846 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N(C)C1CC[NH+](C)CC1 ZINC000069838818 398248977 /nfs/dbraw/zinc/24/89/77/398248977.db2.gz ZIUZUJSECMTCOG-SNVBAGLBSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@@H]1OCC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336778248 398245369 /nfs/dbraw/zinc/24/53/69/398245369.db2.gz KUICDSLTQALJAC-QWRGUYRKSA-N 2 0 228.336 0.210 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)NC[C@@H](C)C[NH3+] ZINC000418465683 192037958 /nfs/dbraw/zinc/03/79/58/192037958.db2.gz GKUIPOZRWGAGCA-NSHDSACASA-N 2 0 244.383 0.564 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCCC[NH+]1CCCC1 ZINC000069839047 398249365 /nfs/dbraw/zinc/24/93/65/398249365.db2.gz LYLXIHFQZKNLLP-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP Cc1c[nH+]ccc1N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000580903392 398250695 /nfs/dbraw/zinc/25/06/95/398250695.db2.gz SRGJKTJSCFBJQU-MNOVXSKESA-N 2 0 246.314 0.138 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000381313523 398253144 /nfs/dbraw/zinc/25/31/44/398253144.db2.gz MFRPIRHUMKHMIJ-ZYUZMQFOSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)c1ccc(C[NH3+])cc1 ZINC000381258957 398253171 /nfs/dbraw/zinc/25/31/71/398253171.db2.gz RLPYHEDPEYJFCQ-MRVPVSSYSA-N 2 0 207.277 0.222 20 0 BCADRP CC[C@@H]1C[N@H+](CCOCC[NH3+])CC[C@@H]1[NH3+] ZINC000381308675 398253259 /nfs/dbraw/zinc/25/32/59/398253259.db2.gz KSRCJIBGGUUIIQ-MNOVXSKESA-N 3 0 215.341 0.021 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H](C)C[NH3+])CC[C@@H]1[NH3+] ZINC000381469689 398253750 /nfs/dbraw/zinc/25/37/50/398253750.db2.gz NUTDATUWDYFBHU-AEJSXWLSSA-N 2 0 213.325 0.167 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000381277997 398249649 /nfs/dbraw/zinc/24/96/49/398249649.db2.gz XKARINXHBGLUFQ-RYUDHWBXSA-N 2 0 211.353 0.657 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000381413374 398256278 /nfs/dbraw/zinc/25/62/78/398256278.db2.gz UCPCMEWQQCWLRG-MWLCHTKSSA-N 2 0 213.325 0.039 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000576705144 365664831 /nfs/dbraw/zinc/66/48/31/365664831.db2.gz RWWVGVVQIZCLHO-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C[C@@H]1CC[NH2+]C1 ZINC000381363315 398254612 /nfs/dbraw/zinc/25/46/12/398254612.db2.gz FPDCGAUSPOZWIN-NEPJUHHUSA-N 2 0 211.353 0.799 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)C2([NH3+])CCC2)C1 ZINC000576754670 365676532 /nfs/dbraw/zinc/67/65/32/365676532.db2.gz XINOWZMMSROOLS-DTWKUNHWSA-N 2 0 211.309 0.111 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000378766996 346829306 /nfs/dbraw/zinc/82/93/06/346829306.db2.gz DFBGPUXQCUUXLR-IVZWLZJFSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000381708827 398270529 /nfs/dbraw/zinc/27/05/29/398270529.db2.gz JXVFPKCMAOZGIJ-GHMZBOCLSA-N 3 0 211.353 0.655 20 0 BCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000334925563 398274107 /nfs/dbraw/zinc/27/41/07/398274107.db2.gz LPKCEHZERVMQOS-WDEREUQCSA-N 2 0 240.351 0.084 20 0 BCADRP C[NH2+]CC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000381835932 398274958 /nfs/dbraw/zinc/27/49/58/398274958.db2.gz OTBJZFSOMRLMGI-GFCCVEGCSA-N 3 0 211.353 0.527 20 0 BCADRP [NH3+][C@@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000418487557 192041050 /nfs/dbraw/zinc/04/10/50/192041050.db2.gz LOPSEMIQHXJKOY-MXWKQRLJSA-N 2 0 240.351 0.293 20 0 BCADRP C[C@@H]1CO[C@@H](CO)CN1CC[C@@H]1CCC[N@@H+]1C ZINC000162279204 349612377 /nfs/dbraw/zinc/61/23/77/349612377.db2.gz MKPNUXARRBAXRC-FRRDWIJNSA-N 2 0 242.363 0.552 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000418494805 192042556 /nfs/dbraw/zinc/04/25/56/192042556.db2.gz SWOUWNXSMIKKBO-ZJUUUORDSA-N 2 0 228.340 0.104 20 0 BCADRP [NH3+][C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000418491536 192041475 /nfs/dbraw/zinc/04/14/75/192041475.db2.gz SAXJUQLOFLXSKN-MNOVXSKESA-N 2 0 240.351 0.165 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000418494038 192042010 /nfs/dbraw/zinc/04/20/10/192042010.db2.gz RQKVIUKETDJDCV-HBNTYKKESA-N 2 0 242.367 0.350 20 0 BCADRP C[C@H]([NH2+]CCC(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000037751841 538963924 /nfs/dbraw/zinc/96/39/24/538963924.db2.gz JUBRUTHBEIMHOR-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000165422856 361839971 /nfs/dbraw/zinc/83/99/71/361839971.db2.gz KYOGTXDEKNMLLG-VHSXEESVSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000418496039 192042337 /nfs/dbraw/zinc/04/23/37/192042337.db2.gz VBSNNFXWMXZUPS-OUAUKWLOSA-N 2 0 242.367 0.493 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N2CC[NH2+]CC2)cc1 ZINC000082653076 398277208 /nfs/dbraw/zinc/27/72/08/398277208.db2.gz YPUJPQFHQUXMAZ-LBPRGKRZSA-N 2 0 233.315 0.427 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)C2([NH3+])CC2)C1 ZINC000309587548 342716303 /nfs/dbraw/zinc/71/63/03/342716303.db2.gz WPRLBHQBUYQRHZ-VIFPVBQESA-N 2 0 211.309 0.065 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000583921134 342723174 /nfs/dbraw/zinc/72/31/74/342723174.db2.gz SYQJHIIHHNVNRI-WHOHXGKFSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000335605000 136235963 /nfs/dbraw/zinc/23/59/63/136235963.db2.gz FBBXZXNCIPGWSL-QWRGUYRKSA-N 2 0 240.351 0.261 20 0 BCADRP C[C@]1(C[NH+]2CCC(C[NH3+])CC2)CC[NH2+]C1 ZINC000335603755 136236078 /nfs/dbraw/zinc/23/60/78/136236078.db2.gz UOMRPNCSOFLEAF-LBPRGKRZSA-N 3 0 211.353 0.657 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@H](C)C[NH3+] ZINC000418451581 192043164 /nfs/dbraw/zinc/04/31/64/192043164.db2.gz WCLYCOHACLEOJC-RKDXNWHRSA-N 2 0 216.329 0.006 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000418450563 192042714 /nfs/dbraw/zinc/04/27/14/192042714.db2.gz UZTXHQZXGIHRQE-GHMZBOCLSA-N 2 0 242.367 0.363 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]C)CCC1 ZINC000629999829 361885017 /nfs/dbraw/zinc/88/50/17/361885017.db2.gz BDPZSFWGISAFJF-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418500946 192044057 /nfs/dbraw/zinc/04/40/57/192044057.db2.gz PXZTWFFTJJVJCT-GARJFASQSA-N 2 0 240.351 0.036 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000418509224 192044556 /nfs/dbraw/zinc/04/45/56/192044556.db2.gz GCTRARXDSMOJPM-OPRDCNLKSA-N 2 0 228.340 0.102 20 0 BCADRP CC[N@@H+]1C[C@@H](C)N(C(=O)N[C@H](C)C[NH3+])C[C@@H]1C ZINC000418509041 192044748 /nfs/dbraw/zinc/04/47/48/192044748.db2.gz ATXJBCXALGQJGT-OUAUKWLOSA-N 2 0 242.367 0.458 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000418509222 192044958 /nfs/dbraw/zinc/04/49/58/192044958.db2.gz GCTRARXDSMOJPM-BBBLOLIVSA-N 2 0 228.340 0.102 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](C(C)C)CC1 ZINC000379994565 342797307 /nfs/dbraw/zinc/79/73/07/342797307.db2.gz VGWHDOAGFVCHKJ-CYBMUJFWSA-N 2 0 243.395 0.325 20 0 BCADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000649488957 398286087 /nfs/dbraw/zinc/28/60/87/398286087.db2.gz GRUHEISUFDUONU-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@]1(C(=O)N2CC[NH+]3CCC2CC3)CC[NH2+]C1 ZINC000335464303 398288803 /nfs/dbraw/zinc/28/88/03/398288803.db2.gz PCNAOOBPZPQXLW-ZDUSSCGKSA-N 2 0 237.347 0.293 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335621901 136239931 /nfs/dbraw/zinc/23/99/31/136239931.db2.gz BQNWFKPYVCDEPM-SECBINFHSA-N 2 0 225.336 0.337 20 0 BCADRP CC1(C)CN(C(=O)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000335621938 136240027 /nfs/dbraw/zinc/24/00/27/136240027.db2.gz CKSDJIHQMDSGIB-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP CCC[NH+]1CCC([NH2+]CCC(=O)NC)CC1 ZINC000044987817 538991062 /nfs/dbraw/zinc/99/10/62/538991062.db2.gz GJFZMDMKCWETKI-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)C1CC[NH+](C)CC1 ZINC000379893807 538980762 /nfs/dbraw/zinc/98/07/62/538980762.db2.gz BKXUCUSOISXDHQ-CMPLNLGQSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)C1CC[NH+](C)CC1 ZINC000379893810 538980848 /nfs/dbraw/zinc/98/08/48/538980848.db2.gz BKXUCUSOISXDHQ-ZYHUDNBSSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)C1CC[NH+](C)CC1 ZINC000379893808 538981039 /nfs/dbraw/zinc/98/10/39/538981039.db2.gz BKXUCUSOISXDHQ-JQWIXIFHSA-N 2 0 239.363 0.537 20 0 BCADRP COCC(C)(C)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000379982910 538983145 /nfs/dbraw/zinc/98/31/45/538983145.db2.gz IKEBTPXFPMIZBI-GHMZBOCLSA-N 2 0 212.337 0.810 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000418520736 192047096 /nfs/dbraw/zinc/04/70/96/192047096.db2.gz HLUQWYTWMHPBLW-MXWKQRLJSA-N 2 0 242.367 0.493 20 0 BCADRP CC(C)(C(=O)NCC[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000417821938 398294652 /nfs/dbraw/zinc/29/46/52/398294652.db2.gz ZJCVKGXPDAXYMU-LLVKDONJSA-N 2 0 235.331 0.788 20 0 BCADRP [NH3+][C@@H]1C[C@@H](NC2C[NH2+]C2)c2ccccc21 ZINC000335626295 136240635 /nfs/dbraw/zinc/24/06/35/136240635.db2.gz ZXNBCNYGUGQHKZ-VXGBXAGGSA-N 2 0 203.289 0.693 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335626386 136240645 /nfs/dbraw/zinc/24/06/45/136240645.db2.gz CYUOVDYVJZPAMS-SECBINFHSA-N 2 0 213.325 0.052 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000382568825 539009789 /nfs/dbraw/zinc/00/97/89/539009789.db2.gz PTVWODRQJQCQAU-DGCLKSJQSA-N 2 0 244.379 0.704 20 0 BCADRP COCC[C@H](CO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000382678400 539010440 /nfs/dbraw/zinc/01/04/40/539010440.db2.gz CSCBSWUCJLTOFD-DGCLKSJQSA-N 2 0 244.379 0.704 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000418520738 192046972 /nfs/dbraw/zinc/04/69/72/192046972.db2.gz HLUQWYTWMHPBLW-VWYCJHECSA-N 2 0 242.367 0.493 20 0 BCADRP CC(C)CC[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000390354577 539021034 /nfs/dbraw/zinc/02/10/34/539021034.db2.gz QDVAVCUUVTUJPW-UPJWGTAASA-N 2 0 226.364 0.935 20 0 BCADRP CN1CC[NH+](CCCC[NH2+]C2CSC2)CC1 ZINC000390561339 539026502 /nfs/dbraw/zinc/02/65/02/539026502.db2.gz RZSSSRUZPJLTPX-UHFFFAOYSA-N 2 0 243.420 0.719 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)NC(C)(C)C[NH+](C)C ZINC000418526489 192047494 /nfs/dbraw/zinc/04/74/94/192047494.db2.gz NDUVCYWWXHMYHE-VIFPVBQESA-N 2 0 230.356 0.363 20 0 BCADRP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000087646621 259325314 /nfs/dbraw/zinc/32/53/14/259325314.db2.gz LALQJOHYSQZCDC-RYUDHWBXSA-N 2 0 222.336 0.861 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H](C)CC[NH3+] ZINC000418534942 192049256 /nfs/dbraw/zinc/04/92/56/192049256.db2.gz YKKQHIYSJCDXLL-MNOVXSKESA-N 2 0 244.383 0.739 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000418536022 192049150 /nfs/dbraw/zinc/04/91/50/192049150.db2.gz BKVVZEJLQDTXQC-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023803 342855131 /nfs/dbraw/zinc/85/51/31/342855131.db2.gz SZPAPAYGOCOIHD-OPRDCNLKSA-N 2 0 211.309 0.077 20 0 BCADRP COC[C@H](O)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000300396282 259326920 /nfs/dbraw/zinc/32/69/20/259326920.db2.gz BIOFYVRCFHVXEV-HBNTYKKESA-N 2 0 216.325 0.243 20 0 BCADRP CC[NH+](CC)CCNC(=O)C[NH2+]C(C)C ZINC000037477069 488185650 /nfs/dbraw/zinc/18/56/50/488185650.db2.gz DLDNWJZMNBMSAG-UHFFFAOYSA-N 2 0 215.341 0.442 20 0 BCADRP C[C@H]1CCN(C(=O)CC[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000584004203 342899909 /nfs/dbraw/zinc/89/99/09/342899909.db2.gz CUXIHEOQRICIHZ-WDEREUQCSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000167341989 136245445 /nfs/dbraw/zinc/24/54/45/136245445.db2.gz HVGIAZIOVOLLQG-PWSUYJOCSA-N 2 0 241.379 0.959 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000418554741 192050113 /nfs/dbraw/zinc/05/01/13/192050113.db2.gz VUUFSOCMILMYTH-GARJFASQSA-N 2 0 240.351 0.308 20 0 BCADRP C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000167341443 136245763 /nfs/dbraw/zinc/24/57/63/136245763.db2.gz NGCNSHGCDDZUGY-MNOVXSKESA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CC[NH+](C)C ZINC000418556404 192050598 /nfs/dbraw/zinc/05/05/98/192050598.db2.gz OVWVWBFONPMCHE-QWRGUYRKSA-N 2 0 242.367 0.187 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000035738373 342891329 /nfs/dbraw/zinc/89/13/29/342891329.db2.gz AZJPGWLXEPUMHW-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CCN(C4CC4)C3=O)C[C@@H]12 ZINC000351474772 136246156 /nfs/dbraw/zinc/24/61/56/136246156.db2.gz GRZDOUNXLITWFK-OJAKKHQRSA-N 2 0 249.358 0.419 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000036873044 342912796 /nfs/dbraw/zinc/91/27/96/342912796.db2.gz FRQZSTZLCBPSKQ-JTQLQIEISA-N 2 0 213.325 0.278 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)NCC[N@H+]1CC=CCC1 ZINC000418568841 192051513 /nfs/dbraw/zinc/05/15/13/192051513.db2.gz XOKNCPRWOHVSPY-LLVKDONJSA-N 2 0 240.351 0.285 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418572954 192052448 /nfs/dbraw/zinc/05/24/48/192052448.db2.gz KZOLMKJCBNKZCY-GHMZBOCLSA-N 2 0 242.367 0.426 20 0 BCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)CC[NH3+] ZINC000036999069 342915117 /nfs/dbraw/zinc/91/51/17/342915117.db2.gz UXKAGXPVEUUCPG-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322436327 488187228 /nfs/dbraw/zinc/18/72/28/488187228.db2.gz QIPGDYIYOCUKQE-UBJLHIIHSA-N 2 0 225.336 0.465 20 0 BCADRP C[NH2+]CCN(C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418582696 192053372 /nfs/dbraw/zinc/05/33/72/192053372.db2.gz AIGYDYKIFAMZFU-NSHDSACASA-N 2 0 242.367 0.365 20 0 BCADRP CC(C)(C[NH3+])NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418586273 192053405 /nfs/dbraw/zinc/05/34/05/192053405.db2.gz FHSUTNHCEVTVAV-JTQLQIEISA-N 2 0 242.367 0.540 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000418597094 192054043 /nfs/dbraw/zinc/05/40/43/192054043.db2.gz DBOLXRWZEVASLK-SNVBAGLBSA-N 2 0 244.383 0.611 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000564945199 398329226 /nfs/dbraw/zinc/32/92/26/398329226.db2.gz WYUFUWFAKJHHCR-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CC[NH+]1CCC(NC(=O)C[C@H](C)[NH3+])CC1 ZINC000038098304 398336112 /nfs/dbraw/zinc/33/61/12/398336112.db2.gz PXEUHVMVBYGJPP-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2CCC[NH2+]C2)CCCC[NH2+]1 ZINC000237768757 398337225 /nfs/dbraw/zinc/33/72/25/398337225.db2.gz PFBIFGWMVPGZHQ-ZYHUDNBSSA-N 2 0 225.336 0.387 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418595775 192055433 /nfs/dbraw/zinc/05/54/33/192055433.db2.gz XGIINKHWZLQRSF-NAKRPEOUSA-N 2 0 240.351 0.387 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000038089212 398335922 /nfs/dbraw/zinc/33/59/22/398335922.db2.gz QJTLHBCIAXWPKM-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449749735 398340157 /nfs/dbraw/zinc/34/01/57/398340157.db2.gz GWCDWZYAJLRUTH-NXEZZACHSA-N 2 0 227.352 0.474 20 0 BCADRP O=C(CC[NH+]1CCCCC1)N1CC[NH2+]CC1 ZINC000019685409 342953590 /nfs/dbraw/zinc/95/35/90/342953590.db2.gz AYVSDLPIYBQQKD-UHFFFAOYSA-N 2 0 225.336 0.294 20 0 BCADRP C[C@@H]1C[NH+](CCC[N@H+]2C[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000351811817 136254941 /nfs/dbraw/zinc/25/49/41/136254941.db2.gz COSHRIQPSMBJMP-FNFFVJSTSA-N 2 0 242.363 0.002 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000353128277 187207890 /nfs/dbraw/zinc/20/78/90/187207890.db2.gz KPIPGYZWSJJUDI-SRVKXCTJSA-N 2 0 239.363 0.474 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351830771 136256388 /nfs/dbraw/zinc/25/63/88/136256388.db2.gz UCBFLNXGUMRJEQ-WDEREUQCSA-N 2 0 241.379 0.947 20 0 BCADRP CN1CCN(C(=O)CN2CC[C@@](C)(F)C2)CC1 ZINC000335901147 136259080 /nfs/dbraw/zinc/25/90/80/136259080.db2.gz NJKDVDVCNCDXIP-GFCCVEGCSA-N 2 0 243.326 0.194 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000357082728 187213810 /nfs/dbraw/zinc/21/38/10/187213810.db2.gz PBWWHQPLMMGMEP-UHFFFAOYSA-N 2 0 242.363 0.854 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044808425 343008316 /nfs/dbraw/zinc/00/83/16/343008316.db2.gz NRELEFTYOFIPFP-ZJUUUORDSA-N 2 0 213.325 0.039 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000418625551 192057673 /nfs/dbraw/zinc/05/76/73/192057673.db2.gz JFLUZXSKCFCLJO-GMTAPVOTSA-N 2 0 242.367 0.363 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000367385986 187218751 /nfs/dbraw/zinc/21/87/51/187218751.db2.gz NOOUBZUWLYYZKQ-GRYCIOLGSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000368122727 187221198 /nfs/dbraw/zinc/22/11/98/187221198.db2.gz BYDIJHMOMHEVNK-RYUDHWBXSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000562809425 323031232 /nfs/dbraw/zinc/03/12/32/323031232.db2.gz UTLIPHAUHYGJBQ-YTWAJWBKSA-N 2 0 225.336 0.193 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)c1coc(C[NH3+])c1 ZINC000309462057 259343286 /nfs/dbraw/zinc/34/32/86/259343286.db2.gz PCNVKWDUPAEKCN-ZETCQYMHSA-N 2 0 211.265 0.063 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(C)C[C@@H]1C ZINC000235724692 343058720 /nfs/dbraw/zinc/05/87/20/343058720.db2.gz GIOFIMSFRWTMTO-QJPTWQEYSA-N 2 0 239.363 0.537 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CO)C2CCOCC2)C1 ZINC000521271323 259344538 /nfs/dbraw/zinc/34/45/38/259344538.db2.gz GDLZCHGTYUTKRP-JHJVBQTASA-N 2 0 242.363 0.633 20 0 BCADRP CC[NH+]1CCC(NC(=O)CCC[NH3+])CC1 ZINC000038098255 343063385 /nfs/dbraw/zinc/06/33/85/343063385.db2.gz KWNPONVQNJAENW-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N(C)Cc1nccn1C ZINC000037823006 187230027 /nfs/dbraw/zinc/23/00/27/187230027.db2.gz ZNKQBQJBACMTKS-SNVBAGLBSA-N 2 0 238.335 0.752 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000576877096 365699263 /nfs/dbraw/zinc/69/92/63/365699263.db2.gz YVHJFEYKHVZFJR-RCWTZXSCSA-N 2 0 227.352 0.617 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000234264775 187229204 /nfs/dbraw/zinc/22/92/04/187229204.db2.gz WKUMLTTYBBXUEO-OLZOCXBDSA-N 3 0 243.395 0.672 20 0 BCADRP C[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000119004613 343065434 /nfs/dbraw/zinc/06/54/34/343065434.db2.gz PAQRGLIFFZRUPY-HBNTYKKESA-N 2 0 200.326 0.830 20 0 BCADRP CC(C)[NH+]1CCC(N[C@H](C)C(=O)N(C)C)CC1 ZINC000035139999 187229887 /nfs/dbraw/zinc/22/98/87/187229887.db2.gz PPMPPWNUDFINIG-LLVKDONJSA-N 2 0 241.379 0.926 20 0 BCADRP CC[C@](C)([NH3+])c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000584880934 343081511 /nfs/dbraw/zinc/08/15/11/343081511.db2.gz BEKQRQFSQISPAF-WPRPVWTQSA-N 2 0 209.297 0.396 20 0 BCADRP C[C@@H]1C[C@H](N(C)C(=O)C[NH+](C)C)CC[N@@H+]1C ZINC000175100583 362026704 /nfs/dbraw/zinc/02/67/04/362026704.db2.gz AAODAFGBWNIPJZ-GHMZBOCLSA-N 2 0 227.352 0.489 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000335349443 187231133 /nfs/dbraw/zinc/23/11/33/187231133.db2.gz WEFFCOMZUCBMAC-LLVKDONJSA-N 2 0 225.336 0.337 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)C1CC[NH2+]CC1 ZINC000236651496 343105569 /nfs/dbraw/zinc/10/55/69/343105569.db2.gz RKCHWRZMFMKQEC-ZDUSSCGKSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236749606 343109701 /nfs/dbraw/zinc/10/97/01/343109701.db2.gz VPLCNAXDHKJJTG-MNOVXSKESA-N 2 0 227.352 0.476 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000418687776 192060223 /nfs/dbraw/zinc/06/02/23/192060223.db2.gz AJUCJIZNWDPMAE-AATLWQCWSA-N 2 0 228.340 0.114 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000237042972 343121815 /nfs/dbraw/zinc/12/18/15/343121815.db2.gz XSYMVEFIXRWUAJ-NWDGAFQWSA-N 2 0 239.363 0.811 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC[N@H+](CC)C(C)C ZINC000237048722 343122001 /nfs/dbraw/zinc/12/20/01/343122001.db2.gz CVJXLITXOWGHAF-SNVBAGLBSA-N 2 0 215.341 0.570 20 0 BCADRP C[NH+](C)Cc1ccnc(NC(=O)C[NH2+]C2CC2)c1 ZINC000237061254 343122430 /nfs/dbraw/zinc/12/24/30/343122430.db2.gz QEMHUVJKUMJFRH-UHFFFAOYSA-N 2 0 248.330 0.834 20 0 BCADRP CC[NH2+]CC1CC[NH+](CC(=O)NC)CC1 ZINC000082645668 362074520 /nfs/dbraw/zinc/07/45/20/362074520.db2.gz XHFYZBSMWQPGSC-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP CC[NH2+]CCNC(=O)CCC1CC[NH2+]CC1 ZINC000236893121 343113607 /nfs/dbraw/zinc/11/36/07/343113607.db2.gz LYIOHIGWHAKDNU-UHFFFAOYSA-N 2 0 227.352 0.492 20 0 BCADRP CCC[NH2+]CCNC(=O)C(C)(C)C[NH3+] ZINC000236899999 343113693 /nfs/dbraw/zinc/11/36/93/343113693.db2.gz ACXZSJJETCCMQO-UHFFFAOYSA-N 2 0 201.314 0.087 20 0 BCADRP CC[NH2+]CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000236971174 343116488 /nfs/dbraw/zinc/11/64/88/343116488.db2.gz MPGSSJNDDGJDPM-UHFFFAOYSA-N 2 0 221.304 0.485 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000236997384 343117030 /nfs/dbraw/zinc/11/70/30/343117030.db2.gz YAQQAZLSDNSLLH-AXFHLTTASA-N 2 0 227.352 0.557 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)C[NH2+]C1CC1 ZINC000237509350 343146959 /nfs/dbraw/zinc/14/69/59/343146959.db2.gz NNRCSPICCULLPK-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000237197964 343128713 /nfs/dbraw/zinc/12/87/13/343128713.db2.gz VNCAGELQLRYJFE-YPMHNXCESA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000237235748 343131100 /nfs/dbraw/zinc/13/11/00/343131100.db2.gz RSBQWDKSULRVKD-KCJUWKMLSA-N 2 0 213.325 0.086 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237294091 343132208 /nfs/dbraw/zinc/13/22/08/343132208.db2.gz YGURNYYKGSRVQT-NXEZZACHSA-N 2 0 245.392 0.053 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)CCC1CC[NH2+]CC1 ZINC000237321242 343135383 /nfs/dbraw/zinc/13/53/83/343135383.db2.gz BZOXPQZAQYCGIR-JTQLQIEISA-N 2 0 227.352 0.477 20 0 BCADRP C[NH2+]CCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237387374 343135775 /nfs/dbraw/zinc/13/57/75/343135775.db2.gz QABWGWPMVVPOIT-GFCCVEGCSA-N 2 0 235.331 0.802 20 0 BCADRP Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nn1 ZINC000576944042 365728002 /nfs/dbraw/zinc/72/80/02/365728002.db2.gz QFPCEEPIBBXHGP-VXGBXAGGSA-N 2 0 249.362 0.637 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000580549943 365740245 /nfs/dbraw/zinc/74/02/45/365740245.db2.gz VVZHBBAMHWCCRI-BBBLOLIVSA-N 2 0 245.392 0.263 20 0 BCADRP C[NH2+]CCCN(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000124632322 343163265 /nfs/dbraw/zinc/16/32/65/343163265.db2.gz OKFRKLSRBPDMQN-UHFFFAOYSA-N 2 0 235.331 0.827 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237034558 136272154 /nfs/dbraw/zinc/27/21/54/136272154.db2.gz VZBUCQTYHMLWGZ-MBYGNEARSA-N 2 0 239.363 0.855 20 0 BCADRP C[C@@]1(C(=O)NC[C@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000237506663 136272329 /nfs/dbraw/zinc/27/23/29/136272329.db2.gz DIMJAUIHROIXBG-WCQYABFASA-N 2 0 239.363 0.492 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)N(C)C ZINC000126877644 343171186 /nfs/dbraw/zinc/17/11/86/343171186.db2.gz ZQGMBXAAJMBCCZ-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000126956892 343171835 /nfs/dbraw/zinc/17/18/35/343171835.db2.gz VVEHRYQCSVLVRC-UTLUCORTSA-N 2 0 213.325 0.132 20 0 BCADRP C[NH2+]CC1CCN(C(=O)C[NH+](C)C)CC1 ZINC000149820456 343196476 /nfs/dbraw/zinc/19/64/76/343196476.db2.gz PFOKICHAIAXMHE-UHFFFAOYSA-N 2 0 213.325 0.006 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CC[NH2+]C2CC2)CC[N@@H+]1C ZINC000157876827 343200140 /nfs/dbraw/zinc/20/01/40/343200140.db2.gz MVLGVVHFTDQNDO-ZYHUDNBSSA-N 2 0 239.363 0.727 20 0 BCADRP CN1CCN(C(=O)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000158238984 343200730 /nfs/dbraw/zinc/20/07/30/343200730.db2.gz MFBXDYROTPPGAR-LBPRGKRZSA-N 2 0 233.315 0.402 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000158920076 343201245 /nfs/dbraw/zinc/20/12/45/343201245.db2.gz WWXNJIOUJQTYPR-QWRGUYRKSA-N 2 0 241.379 0.959 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000167946522 343209952 /nfs/dbraw/zinc/20/99/52/343209952.db2.gz SXBHMKCJXDMOOG-JTQLQIEISA-N 2 0 213.325 0.135 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000168554652 343210273 /nfs/dbraw/zinc/21/02/73/343210273.db2.gz JGYQQNHSPUJMFZ-GUBZILKMSA-N 2 0 213.325 0.132 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)N(C)C)C1 ZINC000168558181 343210496 /nfs/dbraw/zinc/21/04/96/343210496.db2.gz ODKKJJWPPUYQQK-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP CC(=O)NCC[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000569723318 323038733 /nfs/dbraw/zinc/03/87/33/323038733.db2.gz JDTGUVBDJCIVHO-ZYHUDNBSSA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000082777045 136277061 /nfs/dbraw/zinc/27/70/61/136277061.db2.gz HWSJBFKWBYQSAF-JTQLQIEISA-N 2 0 225.336 0.420 20 0 BCADRP [NH3+]C1(CC(=O)NCCCCn2ccnc2)CC1 ZINC000398066683 488206871 /nfs/dbraw/zinc/20/68/71/488206871.db2.gz DNFXZNLEMZPDNP-UHFFFAOYSA-N 2 0 236.319 0.661 20 0 BCADRP CC1(C)C[C@H]([NH2+]CCN2CC[C@H](O)C2)CCO1 ZINC000634687072 343235609 /nfs/dbraw/zinc/23/56/09/343235609.db2.gz XPXOPZRSQHTPNH-NEPJUHHUSA-N 2 0 242.363 0.600 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000569738339 323039305 /nfs/dbraw/zinc/03/93/05/323039305.db2.gz AWDRMPHOTXHAPS-RWMBFGLXSA-N 2 0 244.379 0.656 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000019413522 343249655 /nfs/dbraw/zinc/24/96/55/343249655.db2.gz WYZCOZZBXJSMNN-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[C@@H](CO)[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000036908624 343327513 /nfs/dbraw/zinc/32/75/13/343327513.db2.gz KDHJJDXICLPTGG-RCWTZXSCSA-N 2 0 200.326 0.686 20 0 BCADRP Cc1nccn1CCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000348753825 136296994 /nfs/dbraw/zinc/29/69/94/136296994.db2.gz XXRDNPURIQQEBR-GFCCVEGCSA-N 2 0 222.336 0.862 20 0 BCADRP [NH3+][C@H](CC(=O)N1CCC[NH2+]CC1)c1ccccc1 ZINC000035738359 343303625 /nfs/dbraw/zinc/30/36/25/343303625.db2.gz WVGCHYGQVUMPEY-CYBMUJFWSA-N 2 0 247.342 0.898 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H](CO)C1 ZINC000621373559 343316744 /nfs/dbraw/zinc/31/67/44/343316744.db2.gz KUWWGSKRVVDUBZ-AVGNSLFASA-N 2 0 244.379 0.249 20 0 BCADRP CC1(C)CN(C(=O)[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000335627372 136299793 /nfs/dbraw/zinc/29/97/93/136299793.db2.gz QIWSIXKHFBRYBI-CYBMUJFWSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335626883 136299839 /nfs/dbraw/zinc/29/98/39/136299839.db2.gz KXUJQRXNHIROJY-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](CNC(=O)[C@H]([NH3+])Cc1ccccc1)[NH+](C)C ZINC000038089225 343370082 /nfs/dbraw/zinc/37/00/82/343370082.db2.gz LCGLZGUTFIYPSW-DGCLKSJQSA-N 2 0 249.358 0.623 20 0 BCADRP C[C@H](CNC(=O)c1ccc(C[NH3+])cc1)[NH+](C)C ZINC000038089235 343370491 /nfs/dbraw/zinc/37/04/91/343370491.db2.gz LSLNLWBYVJUJSO-SNVBAGLBSA-N 2 0 235.331 0.825 20 0 BCADRP C[NH+](C)CCCC[NH2+]CC1(C)COC1 ZINC000070617422 343335493 /nfs/dbraw/zinc/33/54/93/343335493.db2.gz RIQTXIONQOFOTA-UHFFFAOYSA-N 2 0 200.326 0.954 20 0 BCADRP C[C@H]1CCNC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335638492 136303131 /nfs/dbraw/zinc/30/31/31/136303131.db2.gz SIPVKEIWDLKHSY-XKGSQUFQSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(CC(=O)N(C)C2CC2)C1 ZINC000166210961 136305297 /nfs/dbraw/zinc/30/52/97/136305297.db2.gz YVQCNCRSEFLWSZ-ZJUUUORDSA-N 2 0 225.336 0.276 20 0 BCADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](C)C1 ZINC000335675448 136318198 /nfs/dbraw/zinc/31/81/98/136318198.db2.gz ANRYJVWTNNMPOG-NEPJUHHUSA-N 2 0 239.363 0.633 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000335654063 136306081 /nfs/dbraw/zinc/30/60/81/136306081.db2.gz QVPQWFMNDFDHLF-QWRGUYRKSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000335654038 136306085 /nfs/dbraw/zinc/30/60/85/136306085.db2.gz PZUNKGDIDCYLSZ-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC000166221286 136310264 /nfs/dbraw/zinc/31/02/64/136310264.db2.gz BZAVZJXTDFQYTK-MNOVXSKESA-N 2 0 208.309 0.552 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC000166220915 136310346 /nfs/dbraw/zinc/31/03/46/136310346.db2.gz BZAVZJXTDFQYTK-WDEREUQCSA-N 2 0 208.309 0.552 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000335662264 136315390 /nfs/dbraw/zinc/31/53/90/136315390.db2.gz IFNAFCJNOQFLJO-WDEREUQCSA-N 2 0 239.363 0.892 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000569938106 323044887 /nfs/dbraw/zinc/04/48/87/323044887.db2.gz SFWJSRACXGTVNB-ZJUUUORDSA-N 2 0 214.309 0.751 20 0 BCADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CSCN1 ZINC000335662344 136315638 /nfs/dbraw/zinc/31/56/38/136315638.db2.gz JRNZBDKHNFJACM-NSHDSACASA-N 2 0 249.339 0.891 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)o1 ZINC000335663100 136316084 /nfs/dbraw/zinc/31/60/84/136316084.db2.gz REBCKCPYAPKRDK-GXSJLCMTSA-N 2 0 249.314 0.562 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCO)[C@H](C)C1 ZINC000166251889 136322170 /nfs/dbraw/zinc/32/21/70/136322170.db2.gz UWJLOANLYIIQCE-GHMZBOCLSA-N 2 0 200.326 0.689 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000039102543 343384518 /nfs/dbraw/zinc/38/45/18/343384518.db2.gz HUPNWUGAQMUASO-NSHDSACASA-N 2 0 225.336 0.293 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C[NH+](C)C)CC[N@@H+]1C ZINC000335687493 136323750 /nfs/dbraw/zinc/32/37/50/136323750.db2.gz AIJRADXBQLFFAG-NXEZZACHSA-N 2 0 213.325 0.147 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C[NH+](C)C)CC[N@@H+]1C ZINC000335687495 136323972 /nfs/dbraw/zinc/32/39/72/136323972.db2.gz AIJRADXBQLFFAG-VHSXEESVSA-N 2 0 213.325 0.147 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[C@H](C)[NH3+])C1 ZINC000569967372 323046049 /nfs/dbraw/zinc/04/60/49/323046049.db2.gz LMJVELRDXKKYEQ-SRVKXCTJSA-N 2 0 241.379 0.674 20 0 BCADRP CC1CC[NH+](CCNC(=O)C[NH2+]C2CC2)CC1 ZINC000040772654 343408789 /nfs/dbraw/zinc/40/87/89/343408789.db2.gz DWONZMPNFXHTSE-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000040827137 343410126 /nfs/dbraw/zinc/41/01/26/343410126.db2.gz SVYOTDPACJPRGH-BDAKNGLRSA-N 2 0 241.360 0.814 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000418705551 192062718 /nfs/dbraw/zinc/06/27/18/192062718.db2.gz DWYJVXRAPYBJAV-DCAQKATOSA-N 2 0 242.367 0.493 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418705001 192062719 /nfs/dbraw/zinc/06/27/19/192062719.db2.gz DJPUOEVLNQUYSF-WDEREUQCSA-N 2 0 242.367 0.555 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418705968 192062761 /nfs/dbraw/zinc/06/27/61/192062761.db2.gz SDJTUKUNMKLNET-QWRGUYRKSA-N 2 0 244.383 0.705 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418704309 192062849 /nfs/dbraw/zinc/06/28/49/192062849.db2.gz RISYXFJWGYMMDV-GMTAPVOTSA-N 2 0 242.367 0.506 20 0 BCADRP Cc1ncc(C[NH2+]CCOCC[NH+](C)C)cn1 ZINC000349252417 136333153 /nfs/dbraw/zinc/33/31/53/136333153.db2.gz MGUJTYBCTNQEGF-UHFFFAOYSA-N 2 0 238.335 0.453 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC000350301901 136357955 /nfs/dbraw/zinc/35/79/55/136357955.db2.gz QGRVSXXZXPODBV-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)C1CC[NH2+]CC1 ZINC000166637333 136362073 /nfs/dbraw/zinc/36/20/73/136362073.db2.gz TYIHKJNTQKOBJA-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NC1(C)CC[NH2+]CC1 ZINC000576988653 365746113 /nfs/dbraw/zinc/74/61/13/365746113.db2.gz AZGNELWHIXBGOW-NXEZZACHSA-N 2 0 225.336 0.243 20 0 BCADRP CC(=O)NCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000247968164 136373316 /nfs/dbraw/zinc/37/33/16/136373316.db2.gz IOCYJJCHHDZSMR-GMXVVIOVSA-N 2 0 241.379 0.831 20 0 BCADRP COC(=O)[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000082475160 343444426 /nfs/dbraw/zinc/44/44/26/343444426.db2.gz HUMJUWSRJKZRDS-DTWKUNHWSA-N 2 0 214.309 0.607 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000418706926 192063138 /nfs/dbraw/zinc/06/31/38/192063138.db2.gz SVNLXAWLEQNXDY-GWOFURMSSA-N 2 0 242.367 0.491 20 0 BCADRP CCCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000077304751 187262436 /nfs/dbraw/zinc/26/24/36/187262436.db2.gz LVGBHENZCPNJQB-GFCCVEGCSA-N 2 0 211.353 0.766 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000084420016 343530564 /nfs/dbraw/zinc/53/05/64/343530564.db2.gz LPRDYPCPWVKSST-VHSXEESVSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000418706922 192063209 /nfs/dbraw/zinc/06/32/09/192063209.db2.gz SVNLXAWLEQNXDY-DBIOUOCHSA-N 2 0 242.367 0.491 20 0 BCADRP CNC(=O)CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152478411 343557635 /nfs/dbraw/zinc/55/76/35/343557635.db2.gz MLNHWGBADINFCR-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2cn[nH]c2)C1 ZINC000379585166 343577775 /nfs/dbraw/zinc/57/77/75/343577775.db2.gz XPGYOKJUCCUYEO-MNOVXSKESA-N 2 0 208.309 0.812 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)N[C@H](C)C[NH3+] ZINC000580565384 365783559 /nfs/dbraw/zinc/78/35/59/365783559.db2.gz GGBXUOVEZZJORN-SNVBAGLBSA-N 2 0 235.331 0.526 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)C2(C)C[NH2+]C2)C1 ZINC000570215768 323053385 /nfs/dbraw/zinc/05/33/85/323053385.db2.gz KXVWDRMPGHZFKP-SNVBAGLBSA-N 2 0 225.336 0.054 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCCCC[NH+](C)C ZINC000086068529 343609400 /nfs/dbraw/zinc/60/94/00/343609400.db2.gz NIGQBLJQMFCQIA-JTQLQIEISA-N 2 0 215.341 0.300 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]C1)NCC[NH2+]C1CC1 ZINC000621622160 343677159 /nfs/dbraw/zinc/67/71/59/343677159.db2.gz WPBACJWJQWQZNV-NSHDSACASA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621653075 343693273 /nfs/dbraw/zinc/69/32/73/343693273.db2.gz OSKWDRDIESXVOD-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC1([NH3+])CCC1 ZINC000584111439 343696239 /nfs/dbraw/zinc/69/62/39/343696239.db2.gz DPJCHBUDUAMSNE-DTWKUNHWSA-N 2 0 228.340 0.293 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC[C@H](C)[NH3+] ZINC000584111933 343697250 /nfs/dbraw/zinc/69/72/50/343697250.db2.gz DJZOUHAPHIEZTC-DJLDLDEBSA-N 2 0 216.329 0.149 20 0 BCADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000178408558 346954706 /nfs/dbraw/zinc/95/47/06/346954706.db2.gz FNCRVRADUOAESA-GHMZBOCLSA-N 2 0 225.336 0.102 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000154049483 343709365 /nfs/dbraw/zinc/70/93/65/343709365.db2.gz SEOOCRRTFZDONG-WDEREUQCSA-N 2 0 227.352 0.713 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000261544412 349850062 /nfs/dbraw/zinc/85/00/62/349850062.db2.gz XXQABRKUHWBNPB-DGCLKSJQSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000261563379 349850608 /nfs/dbraw/zinc/85/06/08/349850608.db2.gz BUSXAUUSPSUJSC-OPRDCNLKSA-N 2 0 213.325 0.275 20 0 BCADRP C[C@H]1C[C@H](N(C)C(=O)C[NH2+]C2CC2)CC[N@@H+]1C ZINC000154669729 343745674 /nfs/dbraw/zinc/74/56/74/343745674.db2.gz GWYJYIILNQPAMY-CMPLNLGQSA-N 2 0 239.363 0.680 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000418726515 192064674 /nfs/dbraw/zinc/06/46/74/192064674.db2.gz LRDDRSBCFGQRQB-QWRGUYRKSA-N 2 0 244.383 0.739 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000154273800 343712976 /nfs/dbraw/zinc/71/29/76/343712976.db2.gz UXBQTHSSADPGIZ-WDEREUQCSA-N 2 0 227.352 0.666 20 0 BCADRP [NH3+]Cc1cc(C(=O)NCC2=CC[NH2+]CC2)ccn1 ZINC000584167267 343767611 /nfs/dbraw/zinc/76/76/11/343767611.db2.gz OWVJBLNNIMOAIT-UHFFFAOYSA-N 2 0 246.314 0.190 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000584182636 343770819 /nfs/dbraw/zinc/77/08/19/343770819.db2.gz HDXINIZEBLBCIF-UTUOFQBUSA-N 2 0 211.353 0.988 20 0 BCADRP CC[NH2+]CCCNC(=O)CC[C@@H](C)[NH3+] ZINC000309117058 346967825 /nfs/dbraw/zinc/96/78/25/346967825.db2.gz LYVHAEYTUMIXNH-SECBINFHSA-N 2 0 201.314 0.230 20 0 BCADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1C[NH2+]C1 ZINC000584225975 343774742 /nfs/dbraw/zinc/77/47/42/343774742.db2.gz UUNYDMNJGINCJB-GXFFZTMASA-N 2 0 219.332 0.506 20 0 BCADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C[NH2+]CC1CC1)C2 ZINC000621684896 343746526 /nfs/dbraw/zinc/74/65/26/343746526.db2.gz VHJMDCZZLHLDNB-DGCLKSJQSA-N 2 0 237.347 0.326 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C[NH2+]C ZINC000262637347 349860823 /nfs/dbraw/zinc/86/08/23/349860823.db2.gz INDQVYNDVMPBDX-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621685783 343749244 /nfs/dbraw/zinc/74/92/44/343749244.db2.gz KGIAIAXLUMJZTG-MFKMUULPSA-N 2 0 239.363 0.844 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261632665 349854254 /nfs/dbraw/zinc/85/42/54/349854254.db2.gz FOTSMPRDSNGABZ-QJPTWQEYSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261632663 349854339 /nfs/dbraw/zinc/85/43/39/349854339.db2.gz FOTSMPRDSNGABZ-IJLUTSLNSA-N 2 0 239.363 0.727 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N[C@H](C)CC[NH3+] ZINC000309091872 346963865 /nfs/dbraw/zinc/96/38/65/346963865.db2.gz BLGLUTWDGBWYLC-RKDXNWHRSA-N 2 0 201.314 0.357 20 0 BCADRP CC(C)N(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418731479 192065150 /nfs/dbraw/zinc/06/51/50/192065150.db2.gz SVYONPPIHKTRAJ-GHMZBOCLSA-N 2 0 244.383 0.704 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000621702078 343755090 /nfs/dbraw/zinc/75/50/90/343755090.db2.gz DQAZFIJIKCDNPF-NHCYSSNCSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+][C@H]1CCC[C@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000584113030 343759449 /nfs/dbraw/zinc/75/94/49/343759449.db2.gz WYLMKWLFDBHHGR-XWLWVQCSSA-N 2 0 243.326 0.320 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000262675448 349861392 /nfs/dbraw/zinc/86/13/92/349861392.db2.gz RPGXZIJBPIOUMU-RYUDHWBXSA-N 2 0 241.379 0.690 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(CCn1cccn1)C2 ZINC000621781186 343906164 /nfs/dbraw/zinc/90/61/64/343906164.db2.gz ABDYVGAYGXDSJA-RYUDHWBXSA-N 2 0 220.320 0.696 20 0 BCADRP [NH3+][C@]12CCC[C@H]1C[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000621784311 343908843 /nfs/dbraw/zinc/90/88/43/343908843.db2.gz MXHMIKYVOSEVRB-AVGNSLFASA-N 3 0 223.364 0.799 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000040924097 187355007 /nfs/dbraw/zinc/35/50/07/187355007.db2.gz AHQJCPGVNCYNDS-NSHDSACASA-N 2 0 239.363 0.811 20 0 BCADRP CCC[C@@H](CCO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000634724049 343921192 /nfs/dbraw/zinc/92/11/92/343921192.db2.gz ITWNWEHSDIKFLJ-STQMWFEESA-N 2 0 244.379 0.584 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000335890059 344044270 /nfs/dbraw/zinc/04/42/70/344044270.db2.gz DOGWKUOUJPXVDL-MFKMUULPSA-N 2 0 239.363 0.572 20 0 BCADRP CN(C[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]1O)C1CC1 ZINC000634730609 344045938 /nfs/dbraw/zinc/04/59/38/344045938.db2.gz LZWLEWQSYCBGDC-XQQFMLRXSA-N 2 0 242.363 0.335 20 0 BCADRP c1c([C@@H]2CCC[NH2+]C2)nnn1CC1CC[NH2+]CC1 ZINC000641232402 362288026 /nfs/dbraw/zinc/28/80/26/362288026.db2.gz DKNWVELMXZQJQJ-GFCCVEGCSA-N 2 0 249.362 0.745 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)N2CC[NH2+]CC2)CC1 ZINC000082654322 187282608 /nfs/dbraw/zinc/28/26/08/187282608.db2.gz YHZCFRGMJQVANS-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@]12C[C@H]1C[NH2+]C2 ZINC000634733609 344114067 /nfs/dbraw/zinc/11/40/67/344114067.db2.gz JIRZOUVWPHCORG-XQHKEYJVSA-N 2 0 221.348 0.328 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000335904618 344083486 /nfs/dbraw/zinc/08/34/86/344083486.db2.gz KGIWCDBIEJSBOA-LLVKDONJSA-N 2 0 225.336 0.455 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634742047 344163482 /nfs/dbraw/zinc/16/34/82/344163482.db2.gz XXVXLZVHUUUPQP-WCFLWFBJSA-N 2 0 239.363 0.442 20 0 BCADRP c1ncn(CC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000381185607 344133174 /nfs/dbraw/zinc/13/31/74/344133174.db2.gz MCMHJZSQFQQMAW-ZDUSSCGKSA-N 2 0 249.362 0.742 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000130373769 344134436 /nfs/dbraw/zinc/13/44/36/344134436.db2.gz FNCZECHNNCEUPC-NXEZZACHSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCCC1CC[NH+](CC)CC1 ZINC000130508621 344143512 /nfs/dbraw/zinc/14/35/12/344143512.db2.gz MBKXPMZCWBFQCQ-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP [NH3+]CC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000082275046 344152882 /nfs/dbraw/zinc/15/28/82/344152882.db2.gz VDTOMGDTRXQNLG-QMMMGPOBSA-N 2 0 208.265 0.422 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000570710055 323068130 /nfs/dbraw/zinc/06/81/30/323068130.db2.gz CALJPLMTDHGEAB-QCNOEVLYSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCOCCO)CC[N@@H+]1C ZINC000129749499 344214488 /nfs/dbraw/zinc/21/44/88/344214488.db2.gz SXKWBEVMVLZQQE-MNOVXSKESA-N 2 0 216.325 0.068 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236649009 187289401 /nfs/dbraw/zinc/28/94/01/187289401.db2.gz GCNFKSUVZGAKQQ-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634750088 344192744 /nfs/dbraw/zinc/19/27/44/344192744.db2.gz MWSLPTYDVMJODF-ZMLRMANQSA-N 2 0 225.336 0.182 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000634751955 344203572 /nfs/dbraw/zinc/20/35/72/344203572.db2.gz ASLFXRBCHWUGLP-GHMZBOCLSA-N 2 0 239.363 0.633 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)CC[NH3+])C1 ZINC000634752501 344203956 /nfs/dbraw/zinc/20/39/56/344203956.db2.gz NCTJVUOCCMMDLO-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752814 344205332 /nfs/dbraw/zinc/20/53/32/344205332.db2.gz STWKFZLMZUFQAL-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)C2([NH3+])CCC2)C1 ZINC000634761575 344253453 /nfs/dbraw/zinc/25/34/53/344253453.db2.gz DYBKWWPJUZTMTK-SNVBAGLBSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761922 344254000 /nfs/dbraw/zinc/25/40/00/344254000.db2.gz MBEXDTPVXYQIPR-ZJUUUORDSA-N 2 0 227.352 0.476 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634764045 344275848 /nfs/dbraw/zinc/27/58/48/344275848.db2.gz KEEURKMWJDAKMB-GHMZBOCLSA-N 2 0 241.379 0.879 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000634765611 344276658 /nfs/dbraw/zinc/27/66/58/344276658.db2.gz XHTHNPUIUYGZMR-NOHGZBONSA-N 2 0 237.347 0.372 20 0 BCADRP O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC000634765407 344276703 /nfs/dbraw/zinc/27/67/03/344276703.db2.gz ROFPIZJKDFOPBY-LOWVWBTDSA-N 2 0 237.347 0.244 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000381250282 344279074 /nfs/dbraw/zinc/27/90/74/344279074.db2.gz PFLUXLAHGWXHSX-UWVGGRQHSA-N 2 0 215.341 0.474 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768516 344280237 /nfs/dbraw/zinc/28/02/37/344280237.db2.gz NIXZERPVTSPVRM-WZRBSPASSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCN2CCOCC2)C1 ZINC000093210366 344312274 /nfs/dbraw/zinc/31/22/74/344312274.db2.gz GMVHTLIHGMCHSR-CHWSQXEVSA-N 2 0 241.379 0.568 20 0 BCADRP CC[C@@H](C(N)=O)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072914 344325429 /nfs/dbraw/zinc/32/54/29/344325429.db2.gz TUQUCABGSQVEPT-NSHDSACASA-N 2 0 243.351 0.080 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000570800059 323071082 /nfs/dbraw/zinc/07/10/82/323071082.db2.gz ICEGDWPQJVFGGM-VHSXEESVSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000131877465 344355477 /nfs/dbraw/zinc/35/54/77/344355477.db2.gz STGPMDCXHFGUOT-BXKDBHETSA-N 2 0 225.336 0.230 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CCCCC(=O)OC)C1 ZINC000600705368 344360148 /nfs/dbraw/zinc/36/01/48/344360148.db2.gz QUCFCEZESMXLLA-LLVKDONJSA-N 2 0 228.336 0.871 20 0 BCADRP COC(=O)CCCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000600709053 344361069 /nfs/dbraw/zinc/36/10/69/344361069.db2.gz NXFOCDQSEJAQLA-GHMZBOCLSA-N 2 0 228.336 0.999 20 0 BCADRP COC(=O)CCCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000600709058 344361095 /nfs/dbraw/zinc/36/10/95/344361095.db2.gz NXFOCDQSEJAQLA-WDEREUQCSA-N 2 0 228.336 0.999 20 0 BCADRP CN(CCC[NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000582133935 347045267 /nfs/dbraw/zinc/04/52/67/347045267.db2.gz VZPXKBDAGTVOIX-UHFFFAOYSA-N 2 0 228.340 0.071 20 0 BCADRP CCN(CC[NH3+])Cc1c[nH]c(C(=O)OC)c1 ZINC000600773290 344372501 /nfs/dbraw/zinc/37/25/01/344372501.db2.gz GFXVOGPJENMYDE-UHFFFAOYSA-N 2 0 225.292 0.582 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000600947408 344400914 /nfs/dbraw/zinc/40/09/14/344400914.db2.gz SVACIBAQXWMPHK-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP CC[NH+]1CCC(NC(=O)C(C)(C)[NH3+])CC1 ZINC000040924364 344410786 /nfs/dbraw/zinc/41/07/86/344410786.db2.gz IJMXRKHGYZRITA-UHFFFAOYSA-N 2 0 213.325 0.324 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH3+] ZINC000040920265 344410935 /nfs/dbraw/zinc/41/09/35/344410935.db2.gz GBITUVCHXRSXFZ-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)CC1CC[NH2+]CC1 ZINC000381434553 344505489 /nfs/dbraw/zinc/50/54/89/344505489.db2.gz XQLYPLXRKJKSFN-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000158868997 344465650 /nfs/dbraw/zinc/46/56/50/344465650.db2.gz GGIAELCFSFAUDJ-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000573667903 344477056 /nfs/dbraw/zinc/47/70/56/344477056.db2.gz AEYZBPIBLYVAFT-TXEJJXNPSA-N 2 0 239.363 0.727 20 0 BCADRP Cc1c[nH]c(CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)n1 ZINC000628291866 347052570 /nfs/dbraw/zinc/05/25/70/347052570.db2.gz YDELSNOARHYGCG-GHMZBOCLSA-N 2 0 220.320 0.854 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000382965603 344483654 /nfs/dbraw/zinc/48/36/54/344483654.db2.gz PXTOMANLXYDBSN-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CCC[NH2+]1 ZINC000037001228 344485174 /nfs/dbraw/zinc/48/51/74/344485174.db2.gz RWVLYNZETWRGPN-VXGBXAGGSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000037117221 344495516 /nfs/dbraw/zinc/49/55/16/344495516.db2.gz MTSKKVYZLYMFFO-LLVKDONJSA-N 2 0 225.336 0.339 20 0 BCADRP CC[NH+](CC)CCCNC(=O)CCC[NH2+]C ZINC000037477560 344508941 /nfs/dbraw/zinc/50/89/41/344508941.db2.gz MKUBXEUAPIHWSN-UHFFFAOYSA-N 2 0 229.368 0.834 20 0 BCADRP CCN1CCC[C@H]1C[NH2+][C@H](CCC[NH3+])COC ZINC000300023265 344509924 /nfs/dbraw/zinc/50/99/24/344509924.db2.gz DHMDNWKGVBRSMD-OLZOCXBDSA-N 2 0 243.395 0.814 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000570845482 323072646 /nfs/dbraw/zinc/07/26/46/323072646.db2.gz MPMLIEXHSQOPIY-ZJUUUORDSA-N 2 0 229.368 0.994 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N(C)CC[NH+]1CCCC1 ZINC000641413528 362403282 /nfs/dbraw/zinc/40/32/82/362403282.db2.gz JTQMCPHCIWEYKW-JTQLQIEISA-N 2 0 228.340 0.071 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](C)C[NH3+] ZINC000044806575 344548457 /nfs/dbraw/zinc/54/84/57/344548457.db2.gz AWNHNEHXXLDHPB-IUCAKERBSA-N 2 0 201.314 0.038 20 0 BCADRP O=C(C[NH2+]CC1CC1)NCCC[NH+]1CCCC1 ZINC000037612174 344552705 /nfs/dbraw/zinc/55/27/05/344552705.db2.gz JRTOGWTYZKCQRF-UHFFFAOYSA-N 2 0 239.363 0.588 20 0 BCADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](C)[NH3+])CC1 ZINC000037804611 344589960 /nfs/dbraw/zinc/58/99/60/344589960.db2.gz QUEHJZUAJYYVRR-SNVBAGLBSA-N 2 0 227.352 0.665 20 0 BCADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C[NH3+] ZINC000037812222 344591112 /nfs/dbraw/zinc/59/11/12/344591112.db2.gz TZWBOBISGKKLMJ-UHFFFAOYSA-N 2 0 229.368 0.772 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)C[NH3+] ZINC000045708904 344578296 /nfs/dbraw/zinc/57/82/96/344578296.db2.gz ZNIOHPMMVKTECQ-UWVGGRQHSA-N 2 0 215.341 0.428 20 0 BCADRP CC(C)[C@@H]1CN(C(=O)NC[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000641474809 362442566 /nfs/dbraw/zinc/44/25/66/362442566.db2.gz LZAPWGUWYHTRNI-MNOVXSKESA-N 2 0 242.367 0.315 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H](C)[NH3+] ZINC000641423902 362408280 /nfs/dbraw/zinc/40/82/80/362408280.db2.gz FNDZSCZMCNJWNJ-NXEZZACHSA-N 2 0 230.356 0.348 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000641424264 362408649 /nfs/dbraw/zinc/40/86/49/362408649.db2.gz IWIBYJRIKUMXJP-VHSXEESVSA-N 2 0 228.340 0.069 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000641424262 362408956 /nfs/dbraw/zinc/40/89/56/362408956.db2.gz IWIBYJRIKUMXJP-NXEZZACHSA-N 2 0 228.340 0.069 20 0 BCADRP C[C@]1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000158293795 344584400 /nfs/dbraw/zinc/58/44/00/344584400.db2.gz DDLZDYGBLCKQOR-QWHCGFSZSA-N 2 0 237.347 0.198 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000237067583 344588509 /nfs/dbraw/zinc/58/85/09/344588509.db2.gz ORIHFUPZTXAHHN-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@H](C)[NH3+])C[C@H]1C ZINC000641493724 362460149 /nfs/dbraw/zinc/46/01/49/362460149.db2.gz PLXWGTNFYIMWET-AXFHLTTASA-N 2 0 242.367 0.458 20 0 BCADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H](C)[NH3+] ZINC000641494130 362460643 /nfs/dbraw/zinc/46/06/43/362460643.db2.gz SPJVMDZREMXOGO-LLVKDONJSA-N 2 0 244.383 0.707 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000309447953 347066261 /nfs/dbraw/zinc/06/62/61/347066261.db2.gz LUNYPLUKSVENPJ-AATLWQCWSA-N 2 0 213.325 0.165 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000582124364 344723730 /nfs/dbraw/zinc/72/37/30/344723730.db2.gz AKEZQEBLTBXCFD-ZDUSSCGKSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H](C)CCCC[NH3+] ZINC000309466622 347070061 /nfs/dbraw/zinc/07/00/61/347070061.db2.gz QDMWPOFJHDEUSP-JTQLQIEISA-N 2 0 215.341 0.620 20 0 BCADRP CSC[C@@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000400004795 344748339 /nfs/dbraw/zinc/74/83/39/344748339.db2.gz QHEZSCSLKCRGHZ-LBPRGKRZSA-N 2 0 243.420 0.719 20 0 BCADRP CN(CCOCCO)CC[C@H]1CCCC[N@@H+]1C ZINC000075860319 344785832 /nfs/dbraw/zinc/78/58/32/344785832.db2.gz CJGDQQZYNVFYQC-CYBMUJFWSA-N 2 0 244.379 0.802 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000044802161 187292848 /nfs/dbraw/zinc/29/28/48/187292848.db2.gz LZEBIYFFDVSPBA-JTQLQIEISA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000562976306 323077759 /nfs/dbraw/zinc/07/77/59/323077759.db2.gz AFUYFHUGNMNJLK-CHWFTXMASA-N 2 0 225.336 0.180 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000562977541 323077775 /nfs/dbraw/zinc/07/77/75/323077775.db2.gz FZGWZMVMLHWQAV-GHMZBOCLSA-N 2 0 227.352 0.490 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH2+]1)C(C)C ZINC000167200212 323078240 /nfs/dbraw/zinc/07/82/40/323078240.db2.gz NZEWVYUTHAMKCO-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)CC[NH2+]1 ZINC000583382170 344858857 /nfs/dbraw/zinc/85/88/57/344858857.db2.gz LMDHYPLDMSSGQE-FOGDFJRCSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000583382214 344859082 /nfs/dbraw/zinc/85/90/82/344859082.db2.gz PFTPNOGAMRYMJE-WZRBSPASSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000049575483 187294077 /nfs/dbraw/zinc/29/40/77/187294077.db2.gz MLBARRSOOYZOTK-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC(=O)N2)CC[N@@H+]1C ZINC000433088900 537873258 /nfs/dbraw/zinc/87/32/58/537873258.db2.gz DSCHOTQXZYPWIS-UTUOFQBUSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368226173 187297362 /nfs/dbraw/zinc/29/73/62/187297362.db2.gz MVFTVTHGMVRHNQ-VWYCJHECSA-N 2 0 225.336 0.180 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000583430289 344948397 /nfs/dbraw/zinc/94/83/97/344948397.db2.gz FUYXBUKDRLZSFH-LBPRGKRZSA-N 2 0 227.352 0.492 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000583430288 344948480 /nfs/dbraw/zinc/94/84/80/344948480.db2.gz FUYXBUKDRLZSFH-GFCCVEGCSA-N 2 0 227.352 0.492 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000309493184 323082147 /nfs/dbraw/zinc/08/21/47/323082147.db2.gz SQNWTOWUTTXISF-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000583448482 344997220 /nfs/dbraw/zinc/99/72/20/344997220.db2.gz COGXHOPAOAEPLO-QWRGUYRKSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](O)C[NH+](C)C ZINC000154303037 345026011 /nfs/dbraw/zinc/02/60/11/345026011.db2.gz XXNMEYNELWPRSA-FVCCEPFGSA-N 2 0 243.395 0.227 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CC[NH2+]C1CC1 ZINC000569623362 345039538 /nfs/dbraw/zinc/03/95/38/345039538.db2.gz MNOJWWFPZHRZIV-ZYHUDNBSSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000574876630 345068284 /nfs/dbraw/zinc/06/82/84/345068284.db2.gz AASFQQRXFYKZDK-DJLDLDEBSA-N 2 0 249.305 0.697 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000155238937 345074710 /nfs/dbraw/zinc/07/47/10/345074710.db2.gz XBTQQLFEDXMCAZ-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000044428441 345061986 /nfs/dbraw/zinc/06/19/86/345061986.db2.gz PKPAKTWPIZXGLS-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1COCCO1 ZINC000156051479 345120526 /nfs/dbraw/zinc/12/05/26/345120526.db2.gz OQDMYZADAXSOJT-JHJVBQTASA-N 2 0 240.347 0.618 20 0 BCADRP CC[C@H](C)[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000319032741 259382509 /nfs/dbraw/zinc/38/25/09/259382509.db2.gz SNYYBCCKUCFUEZ-RYUDHWBXSA-N 2 0 213.369 0.916 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN1CC[C@](C)(C[NH3+])C1 ZINC000634993621 345191364 /nfs/dbraw/zinc/19/13/64/345191364.db2.gz ACCDODDUUNSYHZ-NWDGAFQWSA-N 3 0 213.369 0.888 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C[C@@H](C[NH3+])C(C)C)C1 ZINC000634990844 345173102 /nfs/dbraw/zinc/17/31/02/345173102.db2.gz FOIWMWPUTKSKDD-NWDGAFQWSA-N 2 0 213.369 0.759 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634991141 345173978 /nfs/dbraw/zinc/17/39/78/345173978.db2.gz RNLKLEPYZNFVJA-HIFPTAJRSA-N 2 0 223.364 0.670 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000634991299 345174140 /nfs/dbraw/zinc/17/41/40/345174140.db2.gz YHWXBCJHVUYWMO-IJLUTSLNSA-N 2 0 213.369 0.886 20 0 BCADRP C(N(C1CC1)C1CC[NH2+]CC1)C12CC(C1)C[NH2+]2 ZINC000634990972 345174325 /nfs/dbraw/zinc/17/43/25/345174325.db2.gz JPVATKNFANZLGG-UHFFFAOYSA-N 2 0 235.375 0.955 20 0 BCADRP CC(C)[NH+]1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991590 345177608 /nfs/dbraw/zinc/17/76/08/345177608.db2.gz KCGAPGLKRADRSQ-UHFFFAOYSA-N 2 0 223.364 0.764 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000634991735 345178244 /nfs/dbraw/zinc/17/82/44/345178244.db2.gz PVACGGNUJSXGDT-QJPTWQEYSA-N 2 0 229.368 0.265 20 0 BCADRP C(C[C@H]1CC[NH2+]C1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634994542 345181633 /nfs/dbraw/zinc/18/16/33/345181633.db2.gz GXDOJMGWASJJGM-VOMCLLRMSA-N 3 0 209.337 0.328 20 0 BCADRP CC(C)[C@H](C[NH3+])CNC[C@H]1CCC[NH2+]C1 ZINC000634994357 345181840 /nfs/dbraw/zinc/18/18/40/345181840.db2.gz ACOYPDBTIGAFDP-NWDGAFQWSA-N 2 0 213.369 0.807 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(CC34CC(C3)C[NH2+]4)[C@H]2C1 ZINC000634994576 345182000 /nfs/dbraw/zinc/18/20/00/345182000.db2.gz HQHSDNALBOUUEX-QPPOZKHWSA-N 2 0 235.375 0.764 20 0 BCADRP C(NCC12CC(C1)C[NH2+]2)[C@H]1CCCC[NH2+]1 ZINC000634994383 345182046 /nfs/dbraw/zinc/18/20/46/345182046.db2.gz AVKOOPSLEWAVHL-MOENNCHZSA-N 2 0 209.337 0.470 20 0 BCADRP CC(C)[C@@H](C[NH3+])C[NH2+]CCCN1CC[NH2+]CC1 ZINC000634994664 345182675 /nfs/dbraw/zinc/18/26/75/345182675.db2.gz JXHQMVYRPGWQBA-ZDUSSCGKSA-N 3 0 242.411 0.102 20 0 BCADRP C(N1CC[C@]2(CC[NH2+]C2)C1)C12CC(C1)C[NH2+]2 ZINC000634995158 345183246 /nfs/dbraw/zinc/18/32/46/345183246.db2.gz WXCPSNGQUDSEKQ-CPCZMJQVSA-N 2 0 221.348 0.424 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000634994980 345183420 /nfs/dbraw/zinc/18/34/20/345183420.db2.gz RKVUFJCNWBJHQH-JHJVBQTASA-N 2 0 225.380 0.901 20 0 BCADRP C(N1CC[C@@]2(CC[NH2+]C2)C1)C12CC(C1)C[NH2+]2 ZINC000634995159 345183717 /nfs/dbraw/zinc/18/37/17/345183717.db2.gz WXCPSNGQUDSEKQ-OTTFEQOBSA-N 2 0 221.348 0.424 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN[C@H](CC[NH3+])C(F)F ZINC000634995422 345184231 /nfs/dbraw/zinc/18/42/31/345184231.db2.gz DQGFFDPZAYHKMC-DTWKUNHWSA-N 2 0 223.311 0.789 20 0 BCADRP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000634995229 345184406 /nfs/dbraw/zinc/18/44/06/345184406.db2.gz YNFUHJNBDDTBRT-OLZOCXBDSA-N 3 0 225.380 0.903 20 0 BCADRP C(N[C@H]1CC12CC[NH2+]CC2)C12CC(C1)C[NH2+]2 ZINC000634995415 345184413 /nfs/dbraw/zinc/18/44/13/345184413.db2.gz DHPBNMGQZANMGC-AKJDGMEZSA-N 3 0 221.348 0.470 20 0 BCADRP CC(C)[C@@H](C[NH3+])C[NH2+][C@@H](C)CCC[NH3+] ZINC000634995384 345184485 /nfs/dbraw/zinc/18/44/85/345184485.db2.gz CFUDIZNZAHUSBL-QWRGUYRKSA-N 2 0 201.358 0.934 20 0 BCADRP C(C[NH2+]CC12CC(C1)C[NH2+]2)C[C@@H]1CCC[NH2+]1 ZINC000634995607 345185395 /nfs/dbraw/zinc/18/53/95/345185395.db2.gz KFLLLYVMYBKUES-OTTFEQOBSA-N 3 0 223.364 0.860 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000634995976 345185706 /nfs/dbraw/zinc/18/57/06/345185706.db2.gz VJYWNDZBVHZBMN-QTAHKJALSA-N 3 0 209.337 0.455 20 0 BCADRP C(N[C@H]1CCCC[NH2+]C1)C12CC(C1)C[NH2+]2 ZINC000634996008 345185883 /nfs/dbraw/zinc/18/58/83/345185883.db2.gz WHIAHNCLZLCRHT-CXQJBGSLSA-N 2 0 209.337 0.470 20 0 BCADRP [NH3+]C[C@H]1CC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000634995978 345185887 /nfs/dbraw/zinc/18/58/87/345185887.db2.gz VJYWNDZBVHZBMN-VOBJUBJWSA-N 3 0 209.337 0.455 20 0 BCADRP CC1(C[NH2+]CC2(C[NH3+])CC2)CC[NH2+]CC1 ZINC000634995915 345186146 /nfs/dbraw/zinc/18/61/46/345186146.db2.gz SVCMFEMQGJWFCE-UHFFFAOYSA-N 3 0 211.353 0.705 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NCC12CC(C1)C[NH2+]2 ZINC000634995880 345186163 /nfs/dbraw/zinc/18/61/63/345186163.db2.gz RSYKUIPGAUAFKA-SQLBVSGCSA-N 2 0 211.353 0.701 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN1CC[NH2+]C(C)(C)C1 ZINC000634996110 345186626 /nfs/dbraw/zinc/18/66/26/345186626.db2.gz ZMMHDWAFVLFAEV-NSHDSACASA-N 2 0 213.369 0.901 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000634996108 345186900 /nfs/dbraw/zinc/18/69/00/345186900.db2.gz ZLKUPKMTGDCAIU-QWKFWESOSA-N 2 0 223.364 0.716 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1CC12CC(C1)C[NH2+]2 ZINC000634996628 345191419 /nfs/dbraw/zinc/19/14/19/345191419.db2.gz PQPPQDHFSNBRRE-UZEXVOJHSA-N 2 0 209.337 0.550 20 0 BCADRP C[C@H](C[NH2+][C@H]1CCNC(=O)CC1)N(C)C1CC1 ZINC000634959792 345133070 /nfs/dbraw/zinc/13/30/70/345133070.db2.gz BBWIBZCZTIWODA-GHMZBOCLSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]1CCN(CC23CC(C2)C[NH2+]3)C[C@H]1C[NH3+] ZINC000634996417 345187572 /nfs/dbraw/zinc/18/75/72/345187572.db2.gz JEHPQETZDLBUPS-GMKTYKIGSA-N 2 0 223.364 0.655 20 0 BCADRP CN(C[C@@H]1COCCO1)CC12CC(C1)C[NH2+]2 ZINC000634996351 345187757 /nfs/dbraw/zinc/18/77/57/345187757.db2.gz HQMXMTQFTVJAEJ-MOENNCHZSA-N 2 0 226.320 0.086 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN(C)CC(C)(C)[NH3+] ZINC000634996540 345188379 /nfs/dbraw/zinc/18/83/79/345188379.db2.gz NEPNHMLRDPLKAG-JTQLQIEISA-N 2 0 201.358 0.886 20 0 BCADRP CC[NH+](CC)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635058961 345232708 /nfs/dbraw/zinc/23/27/08/345232708.db2.gz QUMBFZSARBJLPA-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP C[NH+](C)CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635068119 345236527 /nfs/dbraw/zinc/23/65/27/345236527.db2.gz GBBIVJSMHQMLNO-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP C[C@H](C(=O)NCCC[NH+](C)C)[NH+](C)C ZINC000635068785 345236990 /nfs/dbraw/zinc/23/69/90/345236990.db2.gz LDGJOEQLIYNJQW-SECBINFHSA-N 2 0 201.314 0.004 20 0 BCADRP C[NH+](C)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC000635068881 345237213 /nfs/dbraw/zinc/23/72/13/345237213.db2.gz MOJNLMGCOMCBLW-UHFFFAOYSA-N 2 0 229.368 0.642 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000381284631 345241466 /nfs/dbraw/zinc/24/14/66/345241466.db2.gz ZFXZELKJQFNVFF-ZJUUUORDSA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@H]1C[N@H+](CCC(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000147459646 537892276 /nfs/dbraw/zinc/89/22/76/537892276.db2.gz KBVOTZRKVWBDBI-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP c1ncn([C@H]2CCN(CC34CC(C3)C[NH2+]4)C2)n1 ZINC000634993935 345191901 /nfs/dbraw/zinc/19/19/01/345191901.db2.gz KTSZYXXNSIFXJO-CXQJBGSLSA-N 2 0 233.319 0.277 20 0 BCADRP C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C12CC(C1)C[NH2+]2 ZINC000634993957 345192751 /nfs/dbraw/zinc/19/27/51/345192751.db2.gz LQJQJKDXVNAENN-UNTZMWQOSA-N 2 0 221.348 0.565 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634994269 345193484 /nfs/dbraw/zinc/19/34/84/345193484.db2.gz XLZZSKMFWXAWQS-HIFPTAJRSA-N 2 0 223.364 0.799 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)CC[N@@H+]1C ZINC000565042189 345193949 /nfs/dbraw/zinc/19/39/49/345193949.db2.gz XTJUMPKPOBKWKL-UZWSLXQKSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@@H]1CN(CC23CC(C2)C[NH2+]3)C[C@H]1C[NH3+] ZINC000634999298 345199267 /nfs/dbraw/zinc/19/92/67/345199267.db2.gz SEENZNFILYZQRF-QTAHKJALSA-N 2 0 209.337 0.265 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999789 345201280 /nfs/dbraw/zinc/20/12/80/345201280.db2.gz ZBDXYRWAOINUIV-IJLUTSLNSA-N 3 0 213.369 0.744 20 0 BCADRP C[C@H]1CN(Cc2nccn2C)C[C@H]1C[NH3+] ZINC000634999807 345201457 /nfs/dbraw/zinc/20/14/57/345201457.db2.gz ZFTWTNMOCBRWPV-VHSXEESVSA-N 2 0 208.309 0.447 20 0 BCADRP OCC[NH2+]C1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000635002812 345204564 /nfs/dbraw/zinc/20/45/64/345204564.db2.gz YZRCVWHFMCLLBK-NSHDSACASA-N 2 0 244.404 0.786 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635002801 345204686 /nfs/dbraw/zinc/20/46/86/345204686.db2.gz YNPAPEKBJKGTSY-UTUOFQBUSA-N 2 0 211.353 0.654 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000449078628 201803835 /nfs/dbraw/zinc/80/38/35/201803835.db2.gz VYOFYOGNHPQKJS-JTQLQIEISA-N 2 0 229.368 0.736 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000449085087 201805307 /nfs/dbraw/zinc/80/53/07/201805307.db2.gz KENNZTNJVBQFLQ-GXSJLCMTSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H](C(=O)NC1CC[NH+](C2CC2)CC1)[NH+](C)C ZINC000635168840 345263581 /nfs/dbraw/zinc/26/35/81/345263581.db2.gz NIUOIHFTNBOAII-SNVBAGLBSA-N 2 0 239.363 0.680 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000158636041 345359247 /nfs/dbraw/zinc/35/92/47/345359247.db2.gz MOTWDKQCMNHVOT-SDDRHHMPSA-N 2 0 239.363 0.762 20 0 BCADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635449793 345376436 /nfs/dbraw/zinc/37/64/36/345376436.db2.gz HZLXWCZQDBMSQI-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H](CNC(=O)Cn1ccnc1)Cn1ccnc1 ZINC000569639975 345378790 /nfs/dbraw/zinc/37/87/90/345378790.db2.gz PDHCGUGTGQSICK-NSHDSACASA-N 2 0 247.302 0.532 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)[NH+](C)C)C[NH+]1CCCC1 ZINC000635377965 345333822 /nfs/dbraw/zinc/33/38/22/345333822.db2.gz ZHAOTRRKLAJMSZ-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159055297 345404356 /nfs/dbraw/zinc/40/43/56/345404356.db2.gz HZOVTWVBGAQITJ-YFKTTZPYSA-N 2 0 239.363 0.713 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000635506583 345406166 /nfs/dbraw/zinc/40/61/66/345406166.db2.gz CRWNZKCJNRBOLB-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC([NH3+])CC1 ZINC000575121251 345420136 /nfs/dbraw/zinc/42/01/36/345420136.db2.gz FNCYCSZMOWGCJB-IUCAKERBSA-N 2 0 228.340 0.245 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000449117231 201813317 /nfs/dbraw/zinc/81/33/17/201813317.db2.gz TVZHGWNPUMZVSC-WDEREUQCSA-N 2 0 243.395 0.982 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061644080 192088519 /nfs/dbraw/zinc/08/85/19/192088519.db2.gz OBVFOPDFXFLNJC-NEPJUHHUSA-N 2 0 241.379 0.770 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449127443 201814910 /nfs/dbraw/zinc/81/49/10/201814910.db2.gz WQWMKRJFSBTVII-FOGDFJRCSA-N 2 0 227.352 0.332 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@H]1C[NH3+] ZINC000449133428 201816053 /nfs/dbraw/zinc/81/60/53/201816053.db2.gz YKUBZRGUNCCTGI-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@]1(C(=O)N2CCC[NH2+]CC2)CCCC[NH2+]1 ZINC000159544802 345442171 /nfs/dbraw/zinc/44/21/71/345442171.db2.gz SVJIZXPGYXHVKJ-LBPRGKRZSA-N 2 0 225.336 0.341 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449143410 201818534 /nfs/dbraw/zinc/81/85/34/201818534.db2.gz WVRLUHKQWFJZLB-GMTAPVOTSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000575122199 345450516 /nfs/dbraw/zinc/45/05/16/345450516.db2.gz BNUSKLWBWDEMTN-USZNOCQGSA-N 2 0 239.363 0.570 20 0 BCADRP Cn1ncnc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158948802 345391306 /nfs/dbraw/zinc/39/13/06/345391306.db2.gz JYAGESBBSBCQJV-NEPJUHHUSA-N 2 0 249.362 0.731 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159034467 345401550 /nfs/dbraw/zinc/40/15/50/345401550.db2.gz LJCUXLLAPZIZKN-TXEJJXNPSA-N 2 0 237.347 0.339 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000134105259 345540412 /nfs/dbraw/zinc/54/04/12/345540412.db2.gz XBTQQLFEDXMCAZ-VWYCJHECSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000236616978 192089303 /nfs/dbraw/zinc/08/93/03/192089303.db2.gz YRCCTFBXHSOPNN-LLVKDONJSA-N 2 0 213.325 0.372 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)O)[C@@H](C)C1 ZINC000221672864 323090812 /nfs/dbraw/zinc/09/08/12/323090812.db2.gz QCIBDOVOWLACPH-HBNTYKKESA-N 2 0 200.326 0.687 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH+](C)C ZINC000635548946 345591470 /nfs/dbraw/zinc/59/14/70/345591470.db2.gz ZHALUDOHGANDFR-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000563112522 323093184 /nfs/dbraw/zinc/09/31/84/323093184.db2.gz HRUCCAIEOVUCKB-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP C[C@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000635559449 345751893 /nfs/dbraw/zinc/75/18/93/345751893.db2.gz RGKXRQNHMHLKJU-WDEREUQCSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635558710 345756363 /nfs/dbraw/zinc/75/63/63/345756363.db2.gz MLVZAEPEFVERAE-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000381382288 345769517 /nfs/dbraw/zinc/76/95/17/345769517.db2.gz LPHHZMWKHLWTKR-BBBLOLIVSA-N 2 0 213.325 0.086 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)c1c[nH+]ccc1N ZINC000127632198 187359860 /nfs/dbraw/zinc/35/98/60/187359860.db2.gz CSKRFYTUXVLGKM-UHFFFAOYSA-N 2 0 236.319 0.734 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)[NH+](C)C ZINC000635564127 345781491 /nfs/dbraw/zinc/78/14/91/345781491.db2.gz DCAUHQWOWWDMEE-MNOVXSKESA-N 2 0 227.352 0.347 20 0 BCADRP C[C@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000635571785 345825076 /nfs/dbraw/zinc/82/50/76/345825076.db2.gz YUAWTYUMNQRPBP-NEPJUHHUSA-N 2 0 241.379 0.737 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000567891964 323097140 /nfs/dbraw/zinc/09/71/40/323097140.db2.gz ASOISRZRRGSHEF-TUAOUCFPSA-N 3 0 211.353 0.655 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000309744635 187310346 /nfs/dbraw/zinc/31/03/46/187310346.db2.gz FEJCEYJZEIBGME-VHSXEESVSA-N 2 0 215.341 0.459 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635625709 345898900 /nfs/dbraw/zinc/89/89/00/345898900.db2.gz DOKMKFMCWCXHLV-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635625467 345898926 /nfs/dbraw/zinc/89/89/26/345898926.db2.gz BUFRFAXMVHZXLK-NEPJUHHUSA-N 2 0 241.379 0.737 20 0 BCADRP C[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000635665104 345967435 /nfs/dbraw/zinc/96/74/35/345967435.db2.gz UZLRFSMLJGRFLJ-GMTAPVOTSA-N 2 0 239.363 0.678 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000449326977 201869178 /nfs/dbraw/zinc/86/91/78/201869178.db2.gz ATSRGPJQTLQFRI-ZYHUDNBSSA-N 2 0 241.379 0.831 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC000635749217 346047770 /nfs/dbraw/zinc/04/77/70/346047770.db2.gz DYPXJRJTGKGGEX-SDDRHHMPSA-N 2 0 241.379 0.878 20 0 BCADRP CC[N@@H+]1C[C@@H](C)N(C(=O)[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC000635749216 346047899 /nfs/dbraw/zinc/04/78/99/346047899.db2.gz DYPXJRJTGKGGEX-QJPTWQEYSA-N 2 0 241.379 0.878 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH+](C)C ZINC000635953811 346123229 /nfs/dbraw/zinc/12/32/29/346123229.db2.gz MZLVAYUVQUMEQU-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)C1(C[NH+](C)C)CC1 ZINC000636013489 346154532 /nfs/dbraw/zinc/15/45/32/346154532.db2.gz ZWYWHLVRUBPPFU-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](C(=O)NCC1([NH+](C)C)CC1)[NH+](C)C ZINC000636035806 346180677 /nfs/dbraw/zinc/18/06/77/346180677.db2.gz VNXWJFGSIWKEHY-SECBINFHSA-N 2 0 213.325 0.147 20 0 BCADRP C[C@@H]1CCC[C@@](CNC(N)=[NH2+])([NH+](C)C)C1 ZINC000052020231 346234509 /nfs/dbraw/zinc/23/45/09/346234509.db2.gz VUOLADOUNZMGAY-MWLCHTKSSA-N 2 0 212.341 0.980 20 0 BCADRP Cc1nccn1CC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000336775871 187317663 /nfs/dbraw/zinc/31/76/63/187317663.db2.gz CXPAYNHIQSOUDJ-ZYHUDNBSSA-N 2 0 222.336 0.731 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH2+]C ZINC000381534732 346284317 /nfs/dbraw/zinc/28/43/17/346284317.db2.gz DUNMHHPWQCZDQE-ZJUUUORDSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000563091813 349950172 /nfs/dbraw/zinc/95/01/72/349950172.db2.gz FLADQUWXWYHJGY-XKNYDFJKSA-N 2 0 230.356 0.537 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000381535804 346288732 /nfs/dbraw/zinc/28/87/32/346288732.db2.gz GRMCIWNDGSEVRG-KOLCDFICSA-N 2 0 213.325 0.228 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626458 349950904 /nfs/dbraw/zinc/95/09/04/349950904.db2.gz GBQMSYBCBQNBQI-LLVKDONJSA-N 2 0 227.352 0.526 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C)[NH+](C)C ZINC000636092742 346317381 /nfs/dbraw/zinc/31/73/81/346317381.db2.gz UYWFWEUZHZALBZ-AXFHLTTASA-N 2 0 241.379 0.781 20 0 BCADRP C[NH+](C)CC(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000636092718 346317442 /nfs/dbraw/zinc/31/74/42/346317442.db2.gz UMQBMHPRQUOPRW-ZJUUUORDSA-N 2 0 227.352 0.393 20 0 BCADRP CC[C@@H](C(=O)N1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000390747370 346323913 /nfs/dbraw/zinc/32/39/13/346323913.db2.gz AMFJPGXWRVUKLI-UWVGGRQHSA-N 2 0 213.325 0.147 20 0 BCADRP C[C@H](C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C)[NH+](C)C ZINC000636121171 346324729 /nfs/dbraw/zinc/32/47/29/346324729.db2.gz UYWFWEUZHZALBZ-GMTAPVOTSA-N 2 0 241.379 0.781 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCC[NH3+] ZINC000069732787 349954742 /nfs/dbraw/zinc/95/47/42/349954742.db2.gz GDBMRCFBXKCUJN-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000636170554 346343415 /nfs/dbraw/zinc/34/34/15/346343415.db2.gz BLGRKXBWXLOGRZ-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)CCCC[NH3+] ZINC000069734279 349956224 /nfs/dbraw/zinc/95/62/24/349956224.db2.gz HIQQHZXYXRAZMP-LLVKDONJSA-N 2 0 227.352 0.668 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@H](C)[NH3+] ZINC000574915511 346412733 /nfs/dbraw/zinc/41/27/33/346412733.db2.gz CQILPHQPWMDOCS-NNYUYHANSA-N 2 0 239.363 0.284 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H](C)[NH3+] ZINC000574915513 346412742 /nfs/dbraw/zinc/41/27/42/346412742.db2.gz CQILPHQPWMDOCS-WYUUTHIRSA-N 2 0 239.363 0.284 20 0 BCADRP C[NH+](C)CCN(CC[NH+](C)C)CC1(F)CC1 ZINC000574943712 346422979 /nfs/dbraw/zinc/42/29/79/346422979.db2.gz IQWYUSIIQUTFJF-UHFFFAOYSA-N 2 0 231.359 0.914 20 0 BCADRP C[C@@H]1CC[N@H+](CCc2cncn2C)C[C@H]1C[NH3+] ZINC000641797961 362738565 /nfs/dbraw/zinc/73/85/65/362738565.db2.gz AXXRPFLJMCBUHV-VXGBXAGGSA-N 3 0 236.363 0.879 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000069840023 349962296 /nfs/dbraw/zinc/96/22/96/349962296.db2.gz KHXXMVWCDNFTLB-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)CC[C@H](C)[NH3+] ZINC000069840102 349962312 /nfs/dbraw/zinc/96/23/12/349962312.db2.gz MHTBSRYMALYLER-NSHDSACASA-N 2 0 229.368 0.914 20 0 BCADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000563452153 323126538 /nfs/dbraw/zinc/12/65/38/323126538.db2.gz UJUAYPFYMUZSNL-SRVKXCTJSA-N 2 0 239.363 0.762 20 0 BCADRP COc1cc(C[NH+]2CCC(C[NH3+])CC2)on1 ZINC000641796795 362740063 /nfs/dbraw/zinc/74/00/63/362740063.db2.gz KVIPHPBAMXZVEL-UHFFFAOYSA-N 2 0 225.292 0.854 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000574974728 346478245 /nfs/dbraw/zinc/47/82/45/346478245.db2.gz NHIDJRLPGMCCBH-ZNSHCXBVSA-N 2 0 225.336 0.099 20 0 BCADRP C[NH2+]CCSCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000575178135 346483473 /nfs/dbraw/zinc/48/34/73/346483473.db2.gz KBKPIPSXDJVJQT-PHIMTYICSA-N 2 0 230.377 0.802 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)NCC1=CC[NH2+]CC1 ZINC000186369905 346504247 /nfs/dbraw/zinc/50/42/47/346504247.db2.gz LZXDKDVFUVDSOH-LLVKDONJSA-N 2 0 223.320 0.164 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000580072669 346508956 /nfs/dbraw/zinc/50/89/56/346508956.db2.gz DKADLFFVQYCVNG-MXWKQRLJSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@H]1C[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC000580075099 346511006 /nfs/dbraw/zinc/51/10/06/346511006.db2.gz ULXXYTLNLAVZOH-QNWHQSFQSA-N 3 0 223.364 0.526 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000580071855 346511982 /nfs/dbraw/zinc/51/19/82/346511982.db2.gz OVUSLKQSLXIHOG-GXSJLCMTSA-N 2 0 225.336 0.337 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000641801831 362757733 /nfs/dbraw/zinc/75/77/33/362757733.db2.gz FPPFNUGKQODWNL-QWRGUYRKSA-N 3 0 211.353 0.701 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000641802301 362760063 /nfs/dbraw/zinc/76/00/63/362760063.db2.gz IYIAIEVNFGOEAF-QJPTWQEYSA-N 2 0 242.363 0.897 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)c2c[nH+]ccc2N)C1 ZINC000187173025 346559286 /nfs/dbraw/zinc/55/92/86/346559286.db2.gz TXCMEABLNDXCLP-SECBINFHSA-N 2 0 234.303 0.488 20 0 BCADRP C[C@@H]1CC[C@H](C[NH3+])N(C[C@@H]2C[NH2+]CCO2)[C@@H]1C ZINC000641809547 362766367 /nfs/dbraw/zinc/76/63/67/362766367.db2.gz RGHYMLKHZGVVMR-LPWJVIDDSA-N 2 0 241.379 0.423 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1cncn1C ZINC000641818004 362769116 /nfs/dbraw/zinc/76/91/16/362769116.db2.gz BMONLBGMFNDHLT-WDEREUQCSA-N 2 0 222.336 0.774 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186840086 346540454 /nfs/dbraw/zinc/54/04/54/346540454.db2.gz SPYIKTDHSXWDMQ-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](C)(O)CC1 ZINC000380157926 346582637 /nfs/dbraw/zinc/58/26/37/346582637.db2.gz KFYVXZHHJDJQBD-CHWSQXEVSA-N 2 0 244.379 0.536 20 0 BCADRP C[C@H](NC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000580713477 346595680 /nfs/dbraw/zinc/59/56/80/346595680.db2.gz RXHYVWNAAKRTTI-HBNTYKKESA-N 2 0 225.336 0.243 20 0 BCADRP COC[C@H](C)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000187708738 346601296 /nfs/dbraw/zinc/60/12/96/346601296.db2.gz BXJDVLKBRQDONM-GFCCVEGCSA-N 2 0 244.379 0.705 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1cncn1C ZINC000641818003 362769648 /nfs/dbraw/zinc/76/96/48/362769648.db2.gz BMONLBGMFNDHLT-QWRGUYRKSA-N 2 0 222.336 0.774 20 0 BCADRP CC[C@H](C(=O)N(C)[C@H]1CC[NH2+]C1)[NH+](CC)CC ZINC000580201525 346658310 /nfs/dbraw/zinc/65/83/10/346658310.db2.gz RNGJJBOMJXRWFV-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP CC[NH+](CC)CC(=O)NCC[C@H](C)[NH3+] ZINC000178620075 346706249 /nfs/dbraw/zinc/70/62/49/346706249.db2.gz SYGOYJXSYQPRLQ-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP C[C@@H]1CN(C(=O)CC[NH2+]C2CC2)CC[C@@H]1[NH3+] ZINC000580215948 346697998 /nfs/dbraw/zinc/69/79/98/346697998.db2.gz IXJPELSTAONBIP-KOLCDFICSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1CN(C(=O)CC[NH2+]C2CC2)CC[C@H]1[NH3+] ZINC000580215947 346698134 /nfs/dbraw/zinc/69/81/34/346698134.db2.gz IXJPELSTAONBIP-GXSJLCMTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000381719298 346744702 /nfs/dbraw/zinc/74/47/02/346744702.db2.gz LPLSZOFANWJADE-QJPTWQEYSA-N 2 0 211.353 0.655 20 0 BCADRP CCC[NH2+]CCNC(=O)c1coc(C[NH3+])c1 ZINC000188285688 346798249 /nfs/dbraw/zinc/79/82/49/346798249.db2.gz MNKFAVPPNCLGFP-UHFFFAOYSA-N 2 0 225.292 0.468 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)[C@@H]1C ZINC000582056708 347151156 /nfs/dbraw/zinc/15/11/56/347151156.db2.gz ZFGYUMBKHVYZAT-GMTAPVOTSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)[C@@H]1C ZINC000582056709 347151338 /nfs/dbraw/zinc/15/13/38/347151338.db2.gz ZFGYUMBKHVYZAT-MXWKQRLJSA-N 2 0 225.336 0.052 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000582062089 347159384 /nfs/dbraw/zinc/15/93/84/347159384.db2.gz QBFLQEJOPMNKNT-YIZRAAEISA-N 2 0 249.305 0.603 20 0 BCADRP COC(=O)CCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601326450 347208648 /nfs/dbraw/zinc/20/86/48/347208648.db2.gz MYQHNMDAEKBCCJ-NXEZZACHSA-N 2 0 214.309 0.466 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)NCC[C@H]1CCC[NH2+]1 ZINC000571282810 323140186 /nfs/dbraw/zinc/14/01/86/323140186.db2.gz RSTUIXFKLOHJBK-NWDGAFQWSA-N 2 0 239.363 0.634 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC/C=C\C[NH3+] ZINC000641862732 362790766 /nfs/dbraw/zinc/79/07/66/362790766.db2.gz QIZHUHCEQIYZBG-DLRQAJBASA-N 2 0 240.351 0.285 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000310073698 347226270 /nfs/dbraw/zinc/22/62/70/347226270.db2.gz FKHXWSGSWPWIPG-IUCAKERBSA-N 2 0 249.305 0.569 20 0 BCADRP C[NH2+]CCC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000070189712 349975856 /nfs/dbraw/zinc/97/58/56/349975856.db2.gz KOMYNRQSLCCWJD-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CC(C)([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000571325643 323141447 /nfs/dbraw/zinc/14/14/47/323141447.db2.gz VJMXYAVFEMTDRH-SECBINFHSA-N 2 0 213.325 0.372 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188913107 347292520 /nfs/dbraw/zinc/29/25/20/347292520.db2.gz DOMFLULZXQZLLU-DTWKUNHWSA-N 2 0 231.315 0.191 20 0 BCADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C[NH3+] ZINC000019439234 347325052 /nfs/dbraw/zinc/32/50/52/347325052.db2.gz UGAWEZMMHNXESY-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP C[N@@H+](Cc1ccc2ncccc2c1)C[C@H](O)C[NH3+] ZINC000310884572 347316992 /nfs/dbraw/zinc/31/69/92/347316992.db2.gz XHBCIVJGNVGYQT-CYBMUJFWSA-N 2 0 245.326 0.986 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000019409408 347322309 /nfs/dbraw/zinc/32/23/09/347322309.db2.gz ITUGWEYRMNACAI-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP C[C@H](C(=O)N(C)C)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000380839563 347399071 /nfs/dbraw/zinc/39/90/71/347399071.db2.gz TUYSVJWNQXZICN-OUAUKWLOSA-N 2 0 225.336 0.004 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H]1CC[NH2+]1 ZINC000577215823 365886000 /nfs/dbraw/zinc/88/60/00/365886000.db2.gz TYYUDSUDRRLUOP-HBNTYKKESA-N 2 0 225.336 0.147 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000382974015 347517166 /nfs/dbraw/zinc/51/71/66/347517166.db2.gz SACAVOJCOBFFEM-JQWIXIFHSA-N 2 0 239.363 0.680 20 0 BCADRP C[NH2+]CCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000195231992 347619595 /nfs/dbraw/zinc/61/95/95/347619595.db2.gz VDWUUFIDSVJFEH-LBPRGKRZSA-N 2 0 221.304 0.196 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000591423103 347657926 /nfs/dbraw/zinc/65/79/26/347657926.db2.gz CRGSVPJXVNDYTD-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CO[C@@H]1CCN(C[C@H]([NH3+])CC(C)C)[C@H](C[NH3+])C1 ZINC000414654295 323150958 /nfs/dbraw/zinc/15/09/58/323150958.db2.gz BWESESFZYWEJJL-FRRDWIJNSA-N 2 0 243.395 0.798 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000343497559 133689596 /nfs/dbraw/zinc/68/95/96/133689596.db2.gz DSDDBRVTALCBFG-WYUUTHIRSA-N 2 0 239.363 0.489 20 0 BCADRP CSC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000591726584 347692811 /nfs/dbraw/zinc/69/28/11/347692811.db2.gz QLKCCKXFEYXOOX-IJLUTSLNSA-N 2 0 244.404 0.927 20 0 BCADRP COC(=O)[C@H](C)N1CC[C@](C)(C[NH3+])C1 ZINC000308519873 347774239 /nfs/dbraw/zinc/77/42/39/347774239.db2.gz XGSAMHFZQZMGRJ-WCBMZHEXSA-N 2 0 200.282 0.219 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000335728851 535065213 /nfs/dbraw/zinc/06/52/13/535065213.db2.gz RVVCFNRPMIDKNG-NXEZZACHSA-N 2 0 225.336 0.039 20 0 BCADRP Cn1cncc1CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000401759860 347761488 /nfs/dbraw/zinc/76/14/88/347761488.db2.gz ULEHBOVGYBHGNY-GHMZBOCLSA-N 2 0 222.336 0.822 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000592488206 347786802 /nfs/dbraw/zinc/78/68/02/347786802.db2.gz HDRGHKLSJQHYBE-QWRGUYRKSA-N 2 0 228.336 0.999 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000592488207 347787101 /nfs/dbraw/zinc/78/71/01/347787101.db2.gz HDRGHKLSJQHYBE-WDEREUQCSA-N 2 0 228.336 0.999 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000334310606 535065626 /nfs/dbraw/zinc/06/56/26/535065626.db2.gz PLHFJWCFRLSZKO-UHFFFAOYSA-N 2 0 239.363 0.573 20 0 BCADRP COC(=O)CC1([NH2+]C[C@H]2CCCN2C)CC1 ZINC000593057932 347848129 /nfs/dbraw/zinc/84/81/29/347848129.db2.gz YKQHBRZCMBZOOV-SNVBAGLBSA-N 2 0 226.320 0.766 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000343648328 133701060 /nfs/dbraw/zinc/70/10/60/133701060.db2.gz VQCYJYQNIDUWEE-NAKRPEOUSA-N 2 0 225.336 0.323 20 0 BCADRP [NH3+]CCCC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000577372647 365936590 /nfs/dbraw/zinc/93/65/90/365936590.db2.gz JHLUCNKBYMKGAM-NXEZZACHSA-N 2 0 213.325 0.359 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000295154380 179324064 /nfs/dbraw/zinc/32/40/64/179324064.db2.gz JVABLRKQXVREQM-QWHCGFSZSA-N 2 0 247.342 0.848 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000577392122 365944146 /nfs/dbraw/zinc/94/41/46/365944146.db2.gz OQOPVWAUIDSSIC-PWSUYJOCSA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000577399027 365945961 /nfs/dbraw/zinc/94/59/61/365945961.db2.gz HOXJHKLGBVDTNR-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+]CCCCC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000070203792 349978021 /nfs/dbraw/zinc/97/80/21/349978021.db2.gz ZKGHVCBTMWPRTR-LBPRGKRZSA-N 2 0 239.363 0.812 20 0 BCADRP CN(CC1CC[NH+](C)CC1)C(=O)CCCC[NH3+] ZINC000070203807 349978334 /nfs/dbraw/zinc/97/83/34/349978334.db2.gz DSGZCTWZKXHLKJ-UHFFFAOYSA-N 2 0 241.379 0.916 20 0 BCADRP COC(=O)C1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000594581091 348076329 /nfs/dbraw/zinc/07/63/29/348076329.db2.gz MUZSYEACLYLUIH-ZJUUUORDSA-N 2 0 226.320 0.799 20 0 BCADRP COC(=O)C1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000594581089 348076437 /nfs/dbraw/zinc/07/64/37/348076437.db2.gz MUZSYEACLYLUIH-UWVGGRQHSA-N 2 0 226.320 0.799 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000563712763 323175009 /nfs/dbraw/zinc/17/50/09/323175009.db2.gz KEBSYUXPBKEIFC-MXWKQRLJSA-N 2 0 225.336 0.243 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000295284999 179341451 /nfs/dbraw/zinc/34/14/51/179341451.db2.gz WQBJQEJVVJESLW-AAEUAGOBSA-N 2 0 247.342 0.815 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000296570208 179341583 /nfs/dbraw/zinc/34/15/83/179341583.db2.gz VYSVGSRSPOEGLM-AAEUAGOBSA-N 2 0 247.342 0.863 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000294955329 179342099 /nfs/dbraw/zinc/34/20/99/179342099.db2.gz FOYAKIRSXAHZHN-NSHDSACASA-N 2 0 235.331 0.848 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000295027443 179342790 /nfs/dbraw/zinc/34/27/90/179342790.db2.gz NPKKWONJJXRWPM-DRZSPHRISA-N 2 0 247.342 0.943 20 0 BCADRP COC1(C[NH+]2CCC(O)(C[NH3+])CC2)CCCC1 ZINC000397092144 362853149 /nfs/dbraw/zinc/85/31/49/362853149.db2.gz KROUFEFFZHIIKR-UHFFFAOYSA-N 2 0 242.363 0.731 20 0 BCADRP C[C@@H]1C[C@H]1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000082648665 348241645 /nfs/dbraw/zinc/24/16/45/348241645.db2.gz JDOJVJZCJLDTCU-MNOVXSKESA-N 2 0 225.336 0.006 20 0 BCADRP COC[C@@](C)(O)C[NH2+]C1CCN(C)CC1 ZINC000308845744 323179801 /nfs/dbraw/zinc/17/98/01/323179801.db2.gz ACGKIWMBIJKPBG-NSHDSACASA-N 2 0 216.325 0.068 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@H]2CSCN2)C1 ZINC000563887829 323183375 /nfs/dbraw/zinc/18/33/75/323183375.db2.gz DAAYBKHZEDFAKP-OPRDCNLKSA-N 2 0 243.376 0.283 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[N@H+](CC3CC=CC3)CCN2C1=O ZINC000595902600 348395056 /nfs/dbraw/zinc/39/50/56/348395056.db2.gz AMQQPYKSBQYVME-NWDGAFQWSA-N 2 0 235.331 0.196 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[N@H+](CC3CC=CC3)CCN2C1=O ZINC000595902601 348395202 /nfs/dbraw/zinc/39/52/02/348395202.db2.gz AMQQPYKSBQYVME-RYUDHWBXSA-N 2 0 235.331 0.196 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000340082690 535074918 /nfs/dbraw/zinc/07/49/18/535074918.db2.gz OAANFDZEGBXUPH-GARJFASQSA-N 2 0 227.352 0.461 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000070318106 349993696 /nfs/dbraw/zinc/99/36/96/349993696.db2.gz CGVSQIGUIMUDQX-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP CSCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000596649162 348604715 /nfs/dbraw/zinc/60/47/15/348604715.db2.gz CCUJGDJJJHABJX-KXUCPTDWSA-N 2 0 218.366 0.691 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]([NH3+])C1CCC1 ZINC000399238199 323201209 /nfs/dbraw/zinc/20/12/09/323201209.db2.gz SHNIXUCYNYNAKO-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000054076113 348878525 /nfs/dbraw/zinc/87/85/25/348878525.db2.gz YUJLILUNASIBBN-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)[NH2+]C ZINC000054076846 348880206 /nfs/dbraw/zinc/88/02/06/348880206.db2.gz LIFBWEQDDOPEGM-UWVGGRQHSA-N 2 0 215.341 0.441 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000308859373 348908584 /nfs/dbraw/zinc/90/85/84/348908584.db2.gz QYYPTBZTQGXWJU-JGVFFNPUSA-N 2 0 201.314 0.071 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000308866841 348979896 /nfs/dbraw/zinc/97/98/96/348979896.db2.gz XHEZZZMIIJVABO-IWSPIJDZSA-N 2 0 201.314 0.069 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2COCCO2)C1 ZINC000250631744 349176555 /nfs/dbraw/zinc/17/65/55/349176555.db2.gz DFMHFBDWEYJUOK-VWYCJHECSA-N 2 0 214.309 0.261 20 0 BCADRP O=C(C[NH2+]C1CC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000250886548 349181164 /nfs/dbraw/zinc/18/11/64/349181164.db2.gz WODMKDYOSDZPBF-VXGBXAGGSA-N 2 0 237.347 0.481 20 0 BCADRP CCCCNC(=O)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000249903135 349165797 /nfs/dbraw/zinc/16/57/97/349165797.db2.gz XFHSPAQFBQJSAM-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H](C(=O)NC[C@H](C)[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000252852519 349218751 /nfs/dbraw/zinc/21/87/51/349218751.db2.gz IRHILZFQYKHCQM-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000253164812 349228260 /nfs/dbraw/zinc/22/82/60/349228260.db2.gz YJWSOEKJMZMPQH-UTUOFQBUSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000252596911 349201110 /nfs/dbraw/zinc/20/11/10/349201110.db2.gz IQUCCLUFMPQDTR-VWYCJHECSA-N 2 0 227.352 0.441 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC(C)(C)CC[NH3+] ZINC000422539913 192424181 /nfs/dbraw/zinc/42/41/81/192424181.db2.gz LCFATHKEHSJXNW-SECBINFHSA-N 2 0 215.341 0.618 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422536313 192424557 /nfs/dbraw/zinc/42/45/57/192424557.db2.gz FGKFCGADMOCNGS-GCHJQGSQSA-N 2 0 241.379 0.802 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000070619287 350029582 /nfs/dbraw/zinc/02/95/82/350029582.db2.gz SCGXBDZRWWGFBE-NSHDSACASA-N 2 0 213.325 0.196 20 0 BCADRP C[N@@H+]1CCC[C@H](C[NH2+]CC2(C)COC2)C1 ZINC000070617359 350030978 /nfs/dbraw/zinc/03/09/78/350030978.db2.gz GKYSAOYVWGQHFG-LLVKDONJSA-N 2 0 212.337 0.954 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000070618491 350031048 /nfs/dbraw/zinc/03/10/48/350031048.db2.gz FEMYZHPTOCITRW-LBPRGKRZSA-N 2 0 227.352 0.587 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)co1 ZINC000563103300 350057210 /nfs/dbraw/zinc/05/72/10/350057210.db2.gz BWHSXAHCQKZGJB-MNOVXSKESA-N 2 0 249.314 0.705 20 0 BCADRP C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000563106905 350062736 /nfs/dbraw/zinc/06/27/36/350062736.db2.gz UIWMTXXQXRCIDW-LLVKDONJSA-N 2 0 227.352 0.585 20 0 BCADRP Cc1cnn(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000303029875 350103577 /nfs/dbraw/zinc/10/35/77/350103577.db2.gz RORMBYQLCGCJSJ-VXGBXAGGSA-N 2 0 220.320 0.343 20 0 BCADRP [NH3+][C@H](CCC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000071400435 350105363 /nfs/dbraw/zinc/10/53/63/350105363.db2.gz GSGSJEMBTBPXQA-CYBMUJFWSA-N 2 0 247.342 0.898 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H](C)C[NH3+] ZINC000309150536 350107528 /nfs/dbraw/zinc/10/75/28/350107528.db2.gz WGJXQRDQBSFNRM-MRVPVSSYSA-N 2 0 201.314 0.215 20 0 BCADRP Cc1ncccc1CNC[C@](C)(O)C[NH+](C)C ZINC000131488412 191016604 /nfs/dbraw/zinc/01/66/04/191016604.db2.gz OJUIUZZXKMANIS-ZDUSSCGKSA-N 2 0 237.347 0.792 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000345727898 133787655 /nfs/dbraw/zinc/78/76/55/133787655.db2.gz VMWADROSIWFWHX-JQWIXIFHSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H]([NH2+]CCC[NH+](C)C)[C@@H]1CCOC1 ZINC000132002296 191021535 /nfs/dbraw/zinc/02/15/35/191021535.db2.gz BIYQCAWXMGKDAU-WDEREUQCSA-N 2 0 200.326 0.953 20 0 BCADRP CC[N@H+](CCNC(=O)C1([NH3+])CCC1)C1CC1 ZINC000219923844 350149393 /nfs/dbraw/zinc/14/93/93/350149393.db2.gz LNAIKHGBXZWLSB-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP CCOCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000132420943 191032059 /nfs/dbraw/zinc/03/20/59/191032059.db2.gz ZSFLLMWVKGXAGJ-WDEREUQCSA-N 2 0 200.326 0.953 20 0 BCADRP Cc1cnn(CC[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000304430404 350156834 /nfs/dbraw/zinc/15/68/34/350156834.db2.gz SQHXTHHTMCZOFX-RYUDHWBXSA-N 2 0 222.336 0.861 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000449609602 201986622 /nfs/dbraw/zinc/98/66/22/201986622.db2.gz NUVYTPCTJMCDHU-GXSJLCMTSA-N 2 0 213.325 0.230 20 0 BCADRP CC(C)([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334268662 538062998 /nfs/dbraw/zinc/06/29/98/538062998.db2.gz CFFMQQFLEBXCIS-LBPRGKRZSA-N 2 0 225.336 0.326 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)CC[NH2+]C ZINC000236837113 191061501 /nfs/dbraw/zinc/06/15/01/191061501.db2.gz LSFIWSKOAKJTTQ-UHFFFAOYSA-N 2 0 201.314 0.006 20 0 BCADRP CC(C)([NH3+])CC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000370785747 191067570 /nfs/dbraw/zinc/06/75/70/191067570.db2.gz GCEKPUJNUJQTQF-UHFFFAOYSA-N 2 0 239.363 0.857 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000428442526 191073110 /nfs/dbraw/zinc/07/31/10/191073110.db2.gz UOTADDVEUPMKND-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP C[C@@H]1CCCN(C(=O)CCC[NH3+])[C@H]1CC[NH3+] ZINC000653232734 490393469 /nfs/dbraw/zinc/39/34/69/490393469.db2.gz IKOBTGAXNOEKFV-MNOVXSKESA-N 2 0 227.352 0.701 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000427592103 191083440 /nfs/dbraw/zinc/08/34/40/191083440.db2.gz OEWGEERCHIWCRA-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000427614217 191084988 /nfs/dbraw/zinc/08/49/88/191084988.db2.gz WCHIIUWOJYZIRG-NQBHXWOUSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H]1C[C@H](N(C)C[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000125479805 490436134 /nfs/dbraw/zinc/43/61/34/490436134.db2.gz ZSACQKBDOOEXSQ-UPJWGTAASA-N 2 0 241.379 0.389 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)[NH3+])C[NH+]1CCCCC1 ZINC000038042251 350302728 /nfs/dbraw/zinc/30/27/28/350302728.db2.gz BPDNUWKNWMDMCA-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050465570 350343561 /nfs/dbraw/zinc/34/35/61/350343561.db2.gz PUBNYWNNFLZYNJ-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP CCOC[C@@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000069277002 350351679 /nfs/dbraw/zinc/35/16/79/350351679.db2.gz PBMYVMOYTSVMFE-ZDUSSCGKSA-N 2 0 244.379 0.657 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000309413149 350376322 /nfs/dbraw/zinc/37/63/22/350376322.db2.gz IXCLIUPNADFTPV-RQJHMYQMSA-N 2 0 223.267 0.083 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCC([NH+](C)C)CC1 ZINC000069839294 350412159 /nfs/dbraw/zinc/41/21/59/350412159.db2.gz UUPOPVDNCYUWEC-SNVBAGLBSA-N 2 0 227.352 0.666 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)CC[C@@H](C)[NH3+])C1 ZINC000069839777 350414714 /nfs/dbraw/zinc/41/47/14/350414714.db2.gz UNJCFRKZNNDVCV-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000069840046 350415043 /nfs/dbraw/zinc/41/50/43/350415043.db2.gz PVZVFMCWJAFAEE-NXEZZACHSA-N 2 0 225.336 0.467 20 0 BCADRP Cc1nn(C)cc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000228328939 191102089 /nfs/dbraw/zinc/10/20/89/191102089.db2.gz WFLKKKJHFAYEMH-MWLCHTKSSA-N 2 0 222.336 0.898 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CC(F)(F)CN)CC[N@@H+]1C ZINC000563968686 323335597 /nfs/dbraw/zinc/33/55/97/323335597.db2.gz NLUBNVULLMMQND-BDAKNGLRSA-N 2 0 249.305 0.569 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCC[NH2+]C1CC1 ZINC000637339515 350464778 /nfs/dbraw/zinc/46/47/78/350464778.db2.gz IODNACMCUFFRQB-NSHDSACASA-N 2 0 240.351 0.132 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NCC[NH2+]C1CC1 ZINC000637338679 350464917 /nfs/dbraw/zinc/46/49/17/350464917.db2.gz AXMOFSJEYYSARK-LLVKDONJSA-N 2 0 242.367 0.555 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)NCC[NH2+]C1CC1 ZINC000637340679 350465666 /nfs/dbraw/zinc/46/56/66/350465666.db2.gz UWXXVHFDNQUTRJ-LLVKDONJSA-N 2 0 242.367 0.411 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000577474102 365962647 /nfs/dbraw/zinc/96/26/47/365962647.db2.gz RJZDPYRYMYFHSX-WDEREUQCSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000309447956 350499554 /nfs/dbraw/zinc/49/95/54/350499554.db2.gz LUNYPLUKSVENPJ-XKNYDFJKSA-N 2 0 213.325 0.165 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH2+]C1CC1 ZINC000577495558 365969773 /nfs/dbraw/zinc/96/97/73/365969773.db2.gz ZTDCDNLQSPRIGA-NEPJUHHUSA-N 2 0 239.363 0.633 20 0 BCADRP CO[C@H](C)[C@@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000577499457 365970489 /nfs/dbraw/zinc/97/04/89/365970489.db2.gz LSOOLYDMATUIAS-NXEZZACHSA-N 2 0 200.326 0.999 20 0 BCADRP C[C@@]1(CN2CC[NH2+]C(C)(C)C2)CC[NH2+]C1 ZINC000335269983 133824715 /nfs/dbraw/zinc/82/47/15/133824715.db2.gz NTZMHXPXAVEBTE-GFCCVEGCSA-N 2 0 211.353 0.670 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000309452912 323410458 /nfs/dbraw/zinc/41/04/58/323410458.db2.gz MYYQJIYFBMGOKO-AEJSXWLSSA-N 2 0 213.325 0.084 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)C1CC[NH2+]CC1 ZINC000309478770 323413182 /nfs/dbraw/zinc/41/31/82/323413182.db2.gz CTXQKDHHSRCJAM-VIFPVBQESA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]CCCNC(=O)c1ccccc1CC[NH2+]C ZINC000570964134 350667514 /nfs/dbraw/zinc/66/75/14/350667514.db2.gz CYLPIMIEGLCHJA-UHFFFAOYSA-N 2 0 249.358 0.788 20 0 BCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH3+])C1 ZINC000236770133 350741717 /nfs/dbraw/zinc/74/17/17/350741717.db2.gz SBTLYZCIMPNEOO-NSHDSACASA-N 2 0 227.352 0.429 20 0 BCADRP CO[C@](C)(CO)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623560505 362984605 /nfs/dbraw/zinc/98/46/05/362984605.db2.gz IHURTUHCVQMZSY-AAEUAGOBSA-N 2 0 244.379 0.846 20 0 BCADRP CO[C@@](C)(CO)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623560506 362984705 /nfs/dbraw/zinc/98/47/05/362984705.db2.gz IHURTUHCVQMZSY-DGCLKSJQSA-N 2 0 244.379 0.846 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000052060486 350901221 /nfs/dbraw/zinc/90/12/21/350901221.db2.gz AOHHYWSWTGSHRF-NWDGAFQWSA-N 2 0 237.347 0.420 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)CC[NH2+]C(C)C)C1 ZINC000571402425 350974587 /nfs/dbraw/zinc/97/45/87/350974587.db2.gz UCCQXTLMFMSRFZ-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000577612187 366018839 /nfs/dbraw/zinc/01/88/39/366018839.db2.gz JQHBREUJRMSWSD-ZDUSSCGKSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H](CNC(=O)CC[NH2+]C1CC1)[NH+]1CCCC1 ZINC000161075756 351026102 /nfs/dbraw/zinc/02/61/02/351026102.db2.gz DCRVRAXUKCYFPE-LLVKDONJSA-N 2 0 239.363 0.729 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079510953 351067185 /nfs/dbraw/zinc/06/71/85/351067185.db2.gz HWUWKFLGSUPHLN-YPMHNXCESA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@]1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000079520687 351071052 /nfs/dbraw/zinc/07/10/52/351071052.db2.gz RYBNISQZNQGOKY-GWCFXTLKSA-N 2 0 237.347 0.481 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079520748 351071212 /nfs/dbraw/zinc/07/12/12/351071212.db2.gz VIITYCYRULJABO-YPMHNXCESA-N 2 0 241.379 0.975 20 0 BCADRP [NH3+]CCN1C[C@H](C[NH3+])Cc2ccccc21 ZINC000616671103 351231791 /nfs/dbraw/zinc/23/17/91/351231791.db2.gz GKNXZXBEUIHMIX-JTQLQIEISA-N 2 0 205.305 0.583 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000571999671 323520259 /nfs/dbraw/zinc/52/02/59/323520259.db2.gz PKDJRBZJIHCEBL-DDHJBXDOSA-N 2 0 239.363 0.761 20 0 BCADRP CCN(CC[NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000626969794 363070287 /nfs/dbraw/zinc/07/02/87/363070287.db2.gz GRWZUSWZSSGONX-JTQLQIEISA-N 2 0 242.367 0.459 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000577625650 366024225 /nfs/dbraw/zinc/02/42/25/366024225.db2.gz OXARJTXEAOJEHL-CMPLNLGQSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH+](C)CCCNC(=O)c1c[nH+]ccc1N ZINC000088112060 351597446 /nfs/dbraw/zinc/59/74/46/351597446.db2.gz SSRXBGRGUFRXGK-UHFFFAOYSA-N 2 0 222.292 0.345 20 0 BCADRP CCN(CC[NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000626975860 363073701 /nfs/dbraw/zinc/07/37/01/363073701.db2.gz HUUWZLYSRFYFAY-UHFFFAOYSA-N 2 0 228.340 0.071 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000637800494 351636392 /nfs/dbraw/zinc/63/63/92/351636392.db2.gz BBZIHMAYGBWIKJ-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(CCn2cncn2)C1 ZINC000072860610 351638553 /nfs/dbraw/zinc/63/85/53/351638553.db2.gz KWSAGCKMZXAHHS-LBPRGKRZSA-N 2 0 237.351 0.552 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC000637804477 351641533 /nfs/dbraw/zinc/64/15/33/351641533.db2.gz PKROVXRRBJBCNA-GFCCVEGCSA-N 2 0 241.379 0.947 20 0 BCADRP C[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000637805986 351642070 /nfs/dbraw/zinc/64/20/70/351642070.db2.gz NJMKYXOCLAELFD-UHFFFAOYSA-N 2 0 239.363 0.588 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000637806273 351642822 /nfs/dbraw/zinc/64/28/22/351642822.db2.gz WECOZSDMUFSIAM-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000637806613 351643842 /nfs/dbraw/zinc/64/38/42/351643842.db2.gz YXZXSHAHYXTCAY-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@H+](CC(=O)N[C@H]1CCC[NH2+]C1)CC(C)(C)C ZINC000637806608 351643916 /nfs/dbraw/zinc/64/39/16/351643916.db2.gz YWZFCZQXIYWKDF-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000637807011 351644013 /nfs/dbraw/zinc/64/40/13/351644013.db2.gz QBOZKHDTCRZJCR-VIFPVBQESA-N 2 0 225.336 0.467 20 0 BCADRP CC[C@H](C(=O)N(C)C1CC[NH2+]CC1)[NH+](C)C ZINC000637809423 351646277 /nfs/dbraw/zinc/64/62/77/351646277.db2.gz QFTLVKMOHWPWCW-LLVKDONJSA-N 2 0 227.352 0.537 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000637811923 351647306 /nfs/dbraw/zinc/64/73/06/351647306.db2.gz SOUXUEWQBSNPQL-ZJUUUORDSA-N 2 0 213.325 0.228 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000637812078 351647588 /nfs/dbraw/zinc/64/75/88/351647588.db2.gz PHPCFYVRQGJGFH-MRVPVSSYSA-N 2 0 223.276 0.138 20 0 BCADRP COc1cccc([C@@H]([NH3+])C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000637810295 351650101 /nfs/dbraw/zinc/65/01/01/351650101.db2.gz GEWYNJLSQADXEF-CMPLNLGQSA-N 2 0 249.314 0.173 20 0 BCADRP COc1cccc([C@H]([NH3+])C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000637810300 351650438 /nfs/dbraw/zinc/65/04/38/351650438.db2.gz GEWYNJLSQADXEF-PWSUYJOCSA-N 2 0 249.314 0.173 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000637811337 351652437 /nfs/dbraw/zinc/65/24/37/351652437.db2.gz JVYIVXPRJAUNGW-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N2CC[NH2+]C[C@@H]2C)CC[N@@H+]1C ZINC000637815395 351654675 /nfs/dbraw/zinc/65/46/75/351654675.db2.gz AICOMEUZGWIWBK-SDDRHHMPSA-N 2 0 239.363 0.537 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000637816258 351655956 /nfs/dbraw/zinc/65/59/56/351655956.db2.gz FMRNNXFDWVHLPA-NWDGAFQWSA-N 2 0 239.363 0.668 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000637817001 351657763 /nfs/dbraw/zinc/65/77/63/351657763.db2.gz QEXCRUPCHCNDLL-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000637798184 351626664 /nfs/dbraw/zinc/62/66/64/351626664.db2.gz MWWHTSHXKHGCOK-NWDGAFQWSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000637799153 351627912 /nfs/dbraw/zinc/62/79/12/351627912.db2.gz KPGAAWQXTRDGKP-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000637798894 351628025 /nfs/dbraw/zinc/62/80/25/351628025.db2.gz ODXHRYNKEDJVDP-GHMZBOCLSA-N 2 0 227.352 0.700 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH3+])CC2)CC[N@@H+]1C ZINC000637799570 351629157 /nfs/dbraw/zinc/62/91/57/351629157.db2.gz VWKPQIQBGJTZLX-NWDGAFQWSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@@H](C(=O)NC(C)(C)C[NH3+])[NH+](C)C ZINC000637828913 351677301 /nfs/dbraw/zinc/67/73/01/351677301.db2.gz ITQOOHKEEQEVQM-QMMMGPOBSA-N 2 0 201.314 0.180 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000637832120 351680984 /nfs/dbraw/zinc/68/09/84/351680984.db2.gz HSSNTJYDTHIWPF-ZYHUDNBSSA-N 2 0 235.331 0.801 20 0 BCADRP CCCN(C(=O)CCC1C[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000637832436 351681926 /nfs/dbraw/zinc/68/19/26/351681926.db2.gz ISVNACAVIPHYNL-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP C[N@H+](CC(=O)NC(C)(C)C[NH3+])CC(C)(C)C ZINC000637831332 351685038 /nfs/dbraw/zinc/68/50/38/351685038.db2.gz WGLLXMQLFIPFJR-UHFFFAOYSA-N 2 0 229.368 0.818 20 0 BCADRP [NH3+][C@@H](CNC(=O)CCC1C[NH2+]C1)c1ccccc1 ZINC000637831528 351685926 /nfs/dbraw/zinc/68/59/26/351685926.db2.gz DGWAFOZWBJFITD-ZDUSSCGKSA-N 2 0 247.342 0.802 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000637835288 351686768 /nfs/dbraw/zinc/68/67/68/351686768.db2.gz GFWRTJXSKUKRBH-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP Cc1nc[nH]c1CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000637834876 351688534 /nfs/dbraw/zinc/68/85/34/351688534.db2.gz AVMWUXKLSHYKKB-VIFPVBQESA-N 2 0 222.292 0.081 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H]([NH3+])CCC(C)C)CC1 ZINC000637838025 351692887 /nfs/dbraw/zinc/69/28/87/351692887.db2.gz OVYYASSLNLXWDD-LBPRGKRZSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000637838797 351693710 /nfs/dbraw/zinc/69/37/10/351693710.db2.gz CGAYZHVROINPLE-KXUCPTDWSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H](C)[NH2+]1 ZINC000637840088 351694498 /nfs/dbraw/zinc/69/44/98/351694498.db2.gz NBNNLTKXYJDKOY-LMLFDSFASA-N 2 0 248.330 0.722 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000637840678 351696637 /nfs/dbraw/zinc/69/66/37/351696637.db2.gz HFZABZPQFYTNSO-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[NH2+]1 ZINC000637841297 351697679 /nfs/dbraw/zinc/69/76/79/351697679.db2.gz OEXSOYLCFFEVPL-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP CCc1c[nH]c(CC(=O)N2CC[NH2+][C@@H](C)C2)n1 ZINC000637841850 351698254 /nfs/dbraw/zinc/69/82/54/351698254.db2.gz QUWFVVOPWKEPLA-VIFPVBQESA-N 2 0 236.319 0.335 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C1(C[NH+](C)C)CC1 ZINC000637844616 351699593 /nfs/dbraw/zinc/69/95/93/351699593.db2.gz PLQQWLMWTHWZRK-LLVKDONJSA-N 2 0 241.379 0.818 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@H]([NH3+])C(C)C ZINC000637850925 351707521 /nfs/dbraw/zinc/70/75/21/351707521.db2.gz YFLUVIBENVVUOF-BDAKNGLRSA-N 2 0 201.314 0.084 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC(CC)(CC)C[NH3+] ZINC000637843589 351702333 /nfs/dbraw/zinc/70/23/33/351702333.db2.gz XUUOEFDSSSVRHR-VIFPVBQESA-N 2 0 215.341 0.618 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)CCC1C[NH2+]C1 ZINC000637843635 351702367 /nfs/dbraw/zinc/70/23/67/351702367.db2.gz YDWWQZRQIWVLEQ-UHFFFAOYSA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)CCC1C[NH2+]C1 ZINC000637843739 351703106 /nfs/dbraw/zinc/70/31/06/351703106.db2.gz GNVKIUUORHYIKZ-LLVKDONJSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000637843847 351703369 /nfs/dbraw/zinc/70/33/69/351703369.db2.gz ZKJLHPNAKAFGJQ-WCQYABFASA-N 2 0 241.379 0.994 20 0 BCADRP C[C@H](C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])[NH+](C)C ZINC000637846119 351704202 /nfs/dbraw/zinc/70/42/02/351704202.db2.gz FFFJRWMUBVUHDJ-AXFHLTTASA-N 2 0 227.352 0.522 20 0 BCADRP C[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000637846697 351704326 /nfs/dbraw/zinc/70/43/26/351704326.db2.gz YLTMCRAVFFUFIO-MIMYLULJSA-N 2 0 223.320 0.230 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000637846072 351704359 /nfs/dbraw/zinc/70/43/59/351704359.db2.gz URKTZWSUTCERAJ-WOPDTQHZSA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000637846070 351704757 /nfs/dbraw/zinc/70/47/57/351704757.db2.gz URKTZWSUTCERAJ-TUAOUCFPSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000637824674 351664516 /nfs/dbraw/zinc/66/45/16/351664516.db2.gz PPSJBQSSXLERKR-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000637822572 351667586 /nfs/dbraw/zinc/66/75/86/351667586.db2.gz LCXDIABYOARGCC-QWRGUYRKSA-N 2 0 227.352 0.557 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NC(C)(C)C[NH3+] ZINC000637828100 351671296 /nfs/dbraw/zinc/67/12/96/351671296.db2.gz BHPRINSUTPDDIN-VIFPVBQESA-N 2 0 215.341 0.603 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CCC1C[NH2+]C1 ZINC000637848780 351706160 /nfs/dbraw/zinc/70/61/60/351706160.db2.gz KLRPIRLTCOAVJF-SNVBAGLBSA-N 2 0 213.325 0.086 20 0 BCADRP CC[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC000637827303 351676155 /nfs/dbraw/zinc/67/61/55/351676155.db2.gz PLZPNXZTAPIAQW-UHFFFAOYSA-N 2 0 229.368 0.690 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000637858818 351720204 /nfs/dbraw/zinc/72/02/04/351720204.db2.gz OUKDCIKLDGXQNF-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@@H](C(=O)N(C)CC(C)(C)C[NH3+])[NH+](C)C ZINC000637861662 351722848 /nfs/dbraw/zinc/72/28/48/351722848.db2.gz JRYPFSAEWABFLK-JTQLQIEISA-N 2 0 229.368 0.770 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637861973 351722998 /nfs/dbraw/zinc/72/29/98/351722998.db2.gz KZYZJSHIPPETBN-GHMZBOCLSA-N 2 0 223.320 0.244 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC1=CC[NH2+]CC1 ZINC000577769839 366058952 /nfs/dbraw/zinc/05/89/52/366058952.db2.gz XUUAWKOQFOCQQG-UHFFFAOYSA-N 2 0 211.309 0.020 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637863011 351724363 /nfs/dbraw/zinc/72/43/63/351724363.db2.gz WIMRHGJBFYRKAB-JTQLQIEISA-N 2 0 225.336 0.477 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000637865584 351725521 /nfs/dbraw/zinc/72/55/21/351725521.db2.gz COCGSFGSCBEYIB-QWRGUYRKSA-N 2 0 225.336 0.668 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637865582 351725569 /nfs/dbraw/zinc/72/55/69/351725569.db2.gz COCGSFGSCBEYIB-MNOVXSKESA-N 2 0 225.336 0.668 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637865580 351725623 /nfs/dbraw/zinc/72/56/23/351725623.db2.gz COCGSFGSCBEYIB-GHMZBOCLSA-N 2 0 225.336 0.668 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C1(C[NH+](C)C)CC1 ZINC000637866146 351726312 /nfs/dbraw/zinc/72/63/12/351726312.db2.gz IRACURXNVFSHJN-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(=O)[nH]1 ZINC000577768877 366059564 /nfs/dbraw/zinc/05/95/64/366059564.db2.gz VBDPVFVAFNECAB-GHMZBOCLSA-N 2 0 236.319 0.850 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000637853200 351708897 /nfs/dbraw/zinc/70/88/97/351708897.db2.gz SENLARRDVPVCAX-WCQYABFASA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N(C)CCC[NH3+] ZINC000637853076 351708965 /nfs/dbraw/zinc/70/89/65/351708965.db2.gz KWJOOBMKJCBALC-SNVBAGLBSA-N 2 0 215.341 0.557 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637853208 351709040 /nfs/dbraw/zinc/70/90/40/351709040.db2.gz SFHUSWNEVPSPOX-TUAOUCFPSA-N 2 0 237.347 0.668 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000637851653 351710548 /nfs/dbraw/zinc/71/05/48/351710548.db2.gz JXCSNWHXMWBJJS-WCQYABFASA-N 2 0 241.379 0.818 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000637854713 351714301 /nfs/dbraw/zinc/71/43/01/351714301.db2.gz DOFNSNKEPHFPAN-KOLCDFICSA-N 2 0 225.336 0.182 20 0 BCADRP Cc1nccn1-c1ccc(NC(=O)[C@@H](C)[NH3+])cn1 ZINC000037005277 358465970 /nfs/dbraw/zinc/46/59/70/358465970.db2.gz KBIKXXHTXNFISU-MRVPVSSYSA-N 2 0 245.286 0.861 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637856415 351715091 /nfs/dbraw/zinc/71/50/91/351715091.db2.gz AYCUSYMFCLTVLP-SNVBAGLBSA-N 2 0 223.320 0.244 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000637855850 351715682 /nfs/dbraw/zinc/71/56/82/351715682.db2.gz ZDLVQJSVXTZBOE-GHMZBOCLSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@]1(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000577841474 366079680 /nfs/dbraw/zinc/07/96/80/366079680.db2.gz QDFANFLVGQYZFN-WZRBSPASSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCN2CCC(O)CC2)C1 ZINC000321776522 323640475 /nfs/dbraw/zinc/64/04/75/323640475.db2.gz HBKSSVFNZUKXNL-NEPJUHHUSA-N 2 0 241.379 0.303 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000638059958 351933168 /nfs/dbraw/zinc/93/31/68/351933168.db2.gz XCUWMRBXDLCZJO-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000638071506 351943471 /nfs/dbraw/zinc/94/34/71/351943471.db2.gz FXDNITDMKBGWHW-UPJWGTAASA-N 2 0 249.358 0.777 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000638072835 351944532 /nfs/dbraw/zinc/94/45/32/351944532.db2.gz PZEKDWWTVRQBJO-CMPLNLGQSA-N 2 0 249.358 0.634 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000638076119 351948971 /nfs/dbraw/zinc/94/89/71/351948971.db2.gz JAKRAIXKESRTOM-KOLCDFICSA-N 2 0 227.352 0.441 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368385323 187559619 /nfs/dbraw/zinc/55/96/19/187559619.db2.gz NLFQMQIEQXJAKH-LLVKDONJSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638144302 352007187 /nfs/dbraw/zinc/00/71/87/352007187.db2.gz AANKYBZTJYINLZ-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C1(C[NH+](C)C)CC1 ZINC000638144212 352008627 /nfs/dbraw/zinc/00/86/27/352008627.db2.gz BOTYIHOZKWDZON-GHMZBOCLSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C1(C[NH+](C)C)CC1 ZINC000638144217 352008803 /nfs/dbraw/zinc/00/88/03/352008803.db2.gz BOTYIHOZKWDZON-WDEREUQCSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638147599 352008814 /nfs/dbraw/zinc/00/88/14/352008814.db2.gz WOWZXNVODQWFOR-WOPDTQHZSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C1(C[NH+](C)C)CC1 ZINC000638144214 352009049 /nfs/dbraw/zinc/00/90/49/352009049.db2.gz BOTYIHOZKWDZON-MNOVXSKESA-N 2 0 239.363 0.524 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000638080233 351953279 /nfs/dbraw/zinc/95/32/79/351953279.db2.gz MYVHYGXIYQYAMO-RKDXNWHRSA-N 2 0 201.314 0.051 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000638080102 351953684 /nfs/dbraw/zinc/95/36/84/351953684.db2.gz YOXJDFZSBDUCSW-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP C[NH+](C)Cc1cc(CNC(=O)C[NH3+])ccc1F ZINC000237037702 191144575 /nfs/dbraw/zinc/14/45/75/191144575.db2.gz DYOTWBGGIPKJQQ-UHFFFAOYSA-N 2 0 239.294 0.462 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)CCC1C[NH2+]C1 ZINC000638095689 351975436 /nfs/dbraw/zinc/97/54/36/351975436.db2.gz BPZTUIFTLAJUEQ-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000638098317 351977579 /nfs/dbraw/zinc/97/75/79/351977579.db2.gz BLWDHLXHMICNKB-PWSUYJOCSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](CNC(=O)CCC1C[NH2+]C1)[N@H+](C)C1CC1 ZINC000638099674 351980033 /nfs/dbraw/zinc/98/00/33/351980033.db2.gz DAMYBKDBYRNKES-SNVBAGLBSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000638100576 351980620 /nfs/dbraw/zinc/98/06/20/351980620.db2.gz KFRATBXVYWMEBL-NXEZZACHSA-N 2 0 227.352 0.583 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C1 ZINC000638138344 352003873 /nfs/dbraw/zinc/00/38/73/352003873.db2.gz CQZJFZZJRLHGMC-CMPLNLGQSA-N 2 0 235.331 0.387 20 0 BCADRP CC[C@@H](C(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000638139014 352005539 /nfs/dbraw/zinc/00/55/39/352005539.db2.gz RYULSHCFWYMGOL-RYUDHWBXSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000638176103 352042546 /nfs/dbraw/zinc/04/25/46/352042546.db2.gz CCIFVONQJMGKIT-WOPDTQHZSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638177733 352044988 /nfs/dbraw/zinc/04/49/88/352044988.db2.gz MEDHDIJKSPCHJL-DVVUODLYSA-N 2 0 223.320 0.148 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638177740 352045530 /nfs/dbraw/zinc/04/55/30/352045530.db2.gz MEDHDIJKSPCHJL-IEBDPFPHSA-N 2 0 223.320 0.148 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000638179127 352046077 /nfs/dbraw/zinc/04/60/77/352046077.db2.gz QBIRTHZEJXEDBX-BBBLOLIVSA-N 2 0 213.325 0.099 20 0 BCADRP C[NH+](C)CC1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000638214185 352076340 /nfs/dbraw/zinc/07/63/40/352076340.db2.gz QIUNITCNVJWWSG-PHIMTYICSA-N 2 0 237.347 0.006 20 0 BCADRP CC1([NH3+])CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638196290 352060296 /nfs/dbraw/zinc/06/02/96/352060296.db2.gz UDLGMBLMWKEIRE-SNVBAGLBSA-N 2 0 223.320 0.374 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000638196140 352060451 /nfs/dbraw/zinc/06/04/51/352060451.db2.gz WEUOYLNWMJBZJE-NXEZZACHSA-N 2 0 213.325 0.243 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000638199130 352062290 /nfs/dbraw/zinc/06/22/90/352062290.db2.gz PFBBRDKTFDDFMD-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000638199132 352062331 /nfs/dbraw/zinc/06/23/31/352062331.db2.gz PFBBRDKTFDDFMD-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000638199078 352062476 /nfs/dbraw/zinc/06/24/76/352062476.db2.gz GUXCDQNPTSXRPJ-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC000638202894 352063812 /nfs/dbraw/zinc/06/38/12/352063812.db2.gz BRTNAXGUJXZYSD-WOPDTQHZSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)[NH+](C)C ZINC000638203615 352065076 /nfs/dbraw/zinc/06/50/76/352065076.db2.gz NGFDRDINFBRMCC-AEJSXWLSSA-N 2 0 213.325 0.051 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)CCC2C[NH2+]C2)[C@@H]1C ZINC000638203809 352065111 /nfs/dbraw/zinc/06/51/11/352065111.db2.gz HRSBGZBZQYLBGS-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638205972 352067971 /nfs/dbraw/zinc/06/79/71/352067971.db2.gz KDUFMKQFIZBLSZ-NGZCFLSTSA-N 2 0 223.320 0.243 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)C2=CC[C@H]([NH3+])C2)[C@H]1C ZINC000638205974 352068464 /nfs/dbraw/zinc/06/84/64/352068464.db2.gz KDUFMKQFIZBLSZ-QXEWZRGKSA-N 2 0 223.320 0.243 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH2+]1 ZINC000638209739 352072279 /nfs/dbraw/zinc/07/22/79/352072279.db2.gz FLJUBMATIJXXNH-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000638209718 352072400 /nfs/dbraw/zinc/07/24/00/352072400.db2.gz ZNAPSYMHKCEDEB-GMTAPVOTSA-N 2 0 227.352 0.570 20 0 BCADRP COc1cccc([C@H]([NH3+])C(=O)NCC2C[NH2+]C2)c1 ZINC000638152649 352016656 /nfs/dbraw/zinc/01/66/56/352016656.db2.gz KUWYWJRHLHTNIQ-LBPRGKRZSA-N 2 0 249.314 0.031 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000638209928 352073129 /nfs/dbraw/zinc/07/31/29/352073129.db2.gz FYDZLEVQWPEQFU-WOPDTQHZSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000638158806 352022890 /nfs/dbraw/zinc/02/28/90/352022890.db2.gz STRQBHCYPNCXAA-TUAOUCFPSA-N 2 0 239.363 0.666 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)[NH+](C)C ZINC000638159075 352023357 /nfs/dbraw/zinc/02/33/57/352023357.db2.gz OCBFFMXTMZWBEG-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)[C@H](C)C[NH2+]1 ZINC000638159509 352023954 /nfs/dbraw/zinc/02/39/54/352023954.db2.gz XPZUAEXRMJUUNS-KKZNHRDASA-N 2 0 223.320 0.243 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638159555 352023998 /nfs/dbraw/zinc/02/39/98/352023998.db2.gz CBLQTUHEOIYGTE-NEPJUHHUSA-N 2 0 237.347 0.634 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH3+])CCC2)C1 ZINC000638161669 352025408 /nfs/dbraw/zinc/02/54/08/352025408.db2.gz HQPXPOQGTFVKTM-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH3+])CCC2)C1 ZINC000638161670 352025435 /nfs/dbraw/zinc/02/54/35/352025435.db2.gz HQPXPOQGTFVKTM-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](C)C[NH2+]1 ZINC000638160884 352028263 /nfs/dbraw/zinc/02/82/63/352028263.db2.gz ZVEHCJJRTQOPDS-WOPDTQHZSA-N 2 0 239.363 0.537 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638214546 352076280 /nfs/dbraw/zinc/07/62/80/352076280.db2.gz ZWOTZCOLXZBUHG-TUAOUCFPSA-N 2 0 237.347 0.149 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000638165089 352029702 /nfs/dbraw/zinc/02/97/02/352029702.db2.gz OOIMSMYSOIKTNU-RHYQMDGZSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[NH+](C)C ZINC000638170512 352035209 /nfs/dbraw/zinc/03/52/09/352035209.db2.gz LPDDAWAWYBDYKY-ZYHUDNBSSA-N 2 0 225.336 0.149 20 0 BCADRP C[N@@H+]1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638168276 352036220 /nfs/dbraw/zinc/03/62/20/352036220.db2.gz CRXOWGRSABFKRD-NSHDSACASA-N 2 0 223.320 0.198 20 0 BCADRP CN(C(=O)C1=CC[C@@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000638171388 352039188 /nfs/dbraw/zinc/03/91/88/352039188.db2.gz VEVRGALWCVETQZ-LLVKDONJSA-N 2 0 237.347 0.587 20 0 BCADRP C[C@]1(C(=O)Nc2ccc(C[NH3+])cc2)C[NH2+]CCO1 ZINC000638175139 352040807 /nfs/dbraw/zinc/04/08/07/352040807.db2.gz WPLFIHNWTZWQPA-CYBMUJFWSA-N 2 0 249.314 0.462 20 0 BCADRP C[NH+](C)CC1(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000638175637 352041622 /nfs/dbraw/zinc/04/16/22/352041622.db2.gz IFNZZWHETUXHRX-UHFFFAOYSA-N 2 0 237.347 0.364 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000638285026 352121882 /nfs/dbraw/zinc/12/18/82/352121882.db2.gz FCQCXFAUAWRFCG-SRVKXCTJSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000638288166 352124324 /nfs/dbraw/zinc/12/43/24/352124324.db2.gz KEBGXZUNFMARCY-UNXYVOJBSA-N 2 0 239.363 0.857 20 0 BCADRP CO[C@@H](C[NH2+]CCC[NH+](C)C)[C@H]1CCOC1 ZINC000638289233 352125152 /nfs/dbraw/zinc/12/51/52/352125152.db2.gz FVEAEHOJCAUGDO-RYUDHWBXSA-N 2 0 230.352 0.579 20 0 BCADRP CO[C@H](C[NH2+]CCC[NH+](C)C)[C@H]1CCOC1 ZINC000638289232 352125254 /nfs/dbraw/zinc/12/52/54/352125254.db2.gz FVEAEHOJCAUGDO-NWDGAFQWSA-N 2 0 230.352 0.579 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638303401 352132947 /nfs/dbraw/zinc/13/29/47/352132947.db2.gz FLRTYHOAKPMOQU-LLVKDONJSA-N 2 0 237.347 0.587 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[NH2+]1 ZINC000638211135 352077100 /nfs/dbraw/zinc/07/71/00/352077100.db2.gz PNZTUGSFUTXUEI-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000638218016 352077605 /nfs/dbraw/zinc/07/76/05/352077605.db2.gz RWGAVJAHKVGRLR-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000638218971 352078848 /nfs/dbraw/zinc/07/88/48/352078848.db2.gz FIOAVSNXNWOURI-WCQYABFASA-N 2 0 241.379 0.947 20 0 BCADRP CC[C@H](C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)[NH+](C)C ZINC000638229188 352084881 /nfs/dbraw/zinc/08/48/81/352084881.db2.gz DHNCTXAJYXSUFH-IRCOFANPSA-N 2 0 241.379 0.829 20 0 BCADRP C[C@H](C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C)[NH+](C)C ZINC000638229706 352085238 /nfs/dbraw/zinc/08/52/38/352085238.db2.gz GRSPHDIVHXDESV-GWOFURMSSA-N 2 0 227.352 0.439 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638234129 352085573 /nfs/dbraw/zinc/08/55/73/352085573.db2.gz XYVDXTMKPKZYRX-BREBYQMCSA-N 2 0 239.363 0.489 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000638233759 352085723 /nfs/dbraw/zinc/08/57/23/352085723.db2.gz KANQJFHTVMNZAN-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000638233590 352085893 /nfs/dbraw/zinc/08/58/93/352085893.db2.gz WFRFNCPVNUTTKI-UKKRHICBSA-N 2 0 227.352 0.487 20 0 BCADRP C[C@H](C(=O)N1CCCC[C@@H]1CC[NH3+])[NH+](C)C ZINC000638235160 352086316 /nfs/dbraw/zinc/08/63/16/352086316.db2.gz RJPBKKLZTRNYBA-GHMZBOCLSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638243659 352091444 /nfs/dbraw/zinc/09/14/44/352091444.db2.gz QPYYDSNWJMVBMZ-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638240837 352091495 /nfs/dbraw/zinc/09/14/95/352091495.db2.gz LTWZYOCVKVZDDU-SRVKXCTJSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638243653 352091731 /nfs/dbraw/zinc/09/17/31/352091731.db2.gz QPYYDSNWJMVBMZ-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000638248543 352094782 /nfs/dbraw/zinc/09/47/82/352094782.db2.gz PQPFKDQKVCUXIW-TUAOUCFPSA-N 2 0 235.331 0.244 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000638249528 352095103 /nfs/dbraw/zinc/09/51/03/352095103.db2.gz ZHACTPDLLQUPOQ-GARJFASQSA-N 2 0 245.342 0.566 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](C)CCC[NH3+] ZINC000638252112 352095203 /nfs/dbraw/zinc/09/52/03/352095203.db2.gz PDKMXZQGUWAPLD-QWRGUYRKSA-N 2 0 229.368 0.994 20 0 BCADRP CC[NH+]1CCC(NC(=O)C[NH+](C)C)CC1 ZINC000340234067 352095472 /nfs/dbraw/zinc/09/54/72/352095472.db2.gz AKEVRWHSHOWWLJ-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH3+])C1)[C@H](C)[NH3+] ZINC000577848380 366082650 /nfs/dbraw/zinc/08/26/50/366082650.db2.gz SVVZMBCBXJKAPE-SRVKXCTJSA-N 2 0 241.379 0.803 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638254027 352096917 /nfs/dbraw/zinc/09/69/17/352096917.db2.gz FEBRLAJPVDLNQV-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638254029 352096991 /nfs/dbraw/zinc/09/69/91/352096991.db2.gz FEBRLAJPVDLNQV-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP CN(C(=O)C1(C[NH+](C)C)CC1)C1CC([NH3+])C1 ZINC000638254441 352097449 /nfs/dbraw/zinc/09/74/49/352097449.db2.gz AHHVPBWJSRYPMF-UHFFFAOYSA-N 2 0 225.336 0.276 20 0 BCADRP CC[C@@H](C(=O)N(C)C1CC([NH3+])C1)[NH+](C)C ZINC000638254567 352097772 /nfs/dbraw/zinc/09/77/72/352097772.db2.gz CUEZVXAJYGYGGC-RTBKNWGFSA-N 2 0 213.325 0.275 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000638257784 352101163 /nfs/dbraw/zinc/10/11/63/352101163.db2.gz WOBLDEQXLVIULM-VPOLOUISSA-N 2 0 227.352 0.569 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)Cn1ccnc1C(C)C ZINC000638258021 352101177 /nfs/dbraw/zinc/10/11/77/352101177.db2.gz XKRPPAOSKJHIDR-JTQLQIEISA-N 2 0 238.335 0.860 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000638261278 352103635 /nfs/dbraw/zinc/10/36/35/352103635.db2.gz DJYWHEUZKRWTSI-VHSXEESVSA-N 2 0 227.352 0.489 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000638261705 352104470 /nfs/dbraw/zinc/10/44/70/352104470.db2.gz IPTVSNIBOTUMDG-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000638266658 352106202 /nfs/dbraw/zinc/10/62/02/352106202.db2.gz CYICSTONCBYGTH-UTUOFQBUSA-N 2 0 241.379 0.994 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000638270859 352109308 /nfs/dbraw/zinc/10/93/08/352109308.db2.gz NKZKIQVMRUMPIY-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000638271315 352109329 /nfs/dbraw/zinc/10/93/29/352109329.db2.gz VLVJQNYALNEAQP-RKDXNWHRSA-N 2 0 213.325 0.241 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000638271651 352109594 /nfs/dbraw/zinc/10/95/94/352109594.db2.gz YMXZTLSUSRZINO-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)CCC1C[NH2+]C1 ZINC000638276164 352113171 /nfs/dbraw/zinc/11/31/71/352113171.db2.gz QWQFYRGXGAFMCL-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000638332021 352153973 /nfs/dbraw/zinc/15/39/73/352153973.db2.gz CMOXIEPLHUFDHJ-RKDXNWHRSA-N 2 0 215.341 0.474 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638371809 352184931 /nfs/dbraw/zinc/18/49/31/352184931.db2.gz TTZLIRGPYIBTSE-XKSSXDPKSA-N 2 0 211.309 0.276 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H](C)[NH2+]CC ZINC000638375572 352185129 /nfs/dbraw/zinc/18/51/29/352185129.db2.gz CELGQHJBRYCIOG-NSHDSACASA-N 2 0 229.368 0.785 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCCC[NH2+]C1CC1 ZINC000638374653 352187265 /nfs/dbraw/zinc/18/72/65/352187265.db2.gz PDVGWQVPIHXIGU-SECBINFHSA-N 2 0 213.325 0.243 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)CCC2C[NH2+]C2)cc1 ZINC000638374932 352187374 /nfs/dbraw/zinc/18/73/74/352187374.db2.gz RTIIHFMKRJXKKH-UHFFFAOYSA-N 2 0 247.342 0.761 20 0 BCADRP CC[C@H](C(=O)NCCC[NH2+]C1CC1)[NH+](C)C ZINC000638377510 352188869 /nfs/dbraw/zinc/18/88/69/352188869.db2.gz LYJRZHGHUBEKAF-LLVKDONJSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000638389580 352196438 /nfs/dbraw/zinc/19/64/38/352196438.db2.gz HTDLLEOAWPNJFZ-OUAUKWLOSA-N 2 0 227.352 0.700 20 0 BCADRP C[NH+](C)CC1(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000638387586 352196636 /nfs/dbraw/zinc/19/66/36/352196636.db2.gz GQFKNYLHRHHTCH-UHFFFAOYSA-N 2 0 239.363 0.573 20 0 BCADRP CN(C(=O)C1(C[NH+](C)C)CC1)[C@@H](C[NH3+])C1CC1 ZINC000638328913 352146760 /nfs/dbraw/zinc/14/67/60/352146760.db2.gz MNIKSKSSTAFQMG-NSHDSACASA-N 2 0 239.363 0.524 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638427220 352235143 /nfs/dbraw/zinc/23/51/43/352235143.db2.gz VFAOPWCUUMJHBZ-NEPJUHHUSA-N 2 0 237.347 0.634 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000638427434 352235514 /nfs/dbraw/zinc/23/55/14/352235514.db2.gz IXOZPAHAKZWVCJ-UHFFFAOYSA-N 2 0 249.314 0.529 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638427223 352235846 /nfs/dbraw/zinc/23/58/46/352235846.db2.gz VFAOPWCUUMJHBZ-VXGBXAGGSA-N 2 0 237.347 0.634 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000638428534 352236549 /nfs/dbraw/zinc/23/65/49/352236549.db2.gz WLEIKDUYZVIXDU-NXEZZACHSA-N 2 0 215.341 0.474 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638394578 352200722 /nfs/dbraw/zinc/20/07/22/352200722.db2.gz GCCMOPWAJZOSEJ-ZMLRMANQSA-N 2 0 237.347 0.490 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000638396041 352203293 /nfs/dbraw/zinc/20/32/93/352203293.db2.gz HKGVTSIIHHBASC-BBBLOLIVSA-N 2 0 213.325 0.323 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000638396043 352203461 /nfs/dbraw/zinc/20/34/61/352203461.db2.gz HKGVTSIIHHBASC-OPRDCNLKSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000638399542 352204295 /nfs/dbraw/zinc/20/42/95/352204295.db2.gz ITFKJRIRYUYEON-TUAOUCFPSA-N 2 0 239.363 0.857 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000638432332 352240528 /nfs/dbraw/zinc/24/05/28/352240528.db2.gz YKKFYXZXLHHRFM-LLVKDONJSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)[NH3+])CC[N@@H+]1C ZINC000638403139 352210006 /nfs/dbraw/zinc/21/00/06/352210006.db2.gz YCUDKYBNRGLEEQ-WDEREUQCSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H](CCNC(=O)C1=CC[C@H]([NH3+])C1)[NH+](C)C ZINC000638408247 352213857 /nfs/dbraw/zinc/21/38/57/352213857.db2.gz FTOXBTVIJDVNJA-KOLCDFICSA-N 2 0 225.336 0.490 20 0 BCADRP O[C@@H](C[NH2+]CCC[C@H]1CCO1)C[NH+]1CCCC1 ZINC000638412336 352219616 /nfs/dbraw/zinc/21/96/16/352219616.db2.gz OBZWUSBXIFTTAT-STQMWFEESA-N 2 0 242.363 0.602 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638432963 352241401 /nfs/dbraw/zinc/24/14/01/352241401.db2.gz OHXXCLDDAISLGQ-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638424327 352232107 /nfs/dbraw/zinc/23/21/07/352232107.db2.gz HRWBPTMFVWFOHA-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP CO[C@H](C[NH2+]CCCC[NH+](C)C)[C@@H]1CCOC1 ZINC000638451841 352262088 /nfs/dbraw/zinc/26/20/88/352262088.db2.gz RZRZILPJDBRHAL-CHWSQXEVSA-N 2 0 244.379 0.969 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000638442401 352251916 /nfs/dbraw/zinc/25/19/16/352251916.db2.gz UQWFBEFGLDFGAZ-NQBHXWOUSA-N 2 0 235.331 0.374 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCCC[NH2+]1 ZINC000638498150 352318362 /nfs/dbraw/zinc/31/83/62/352318362.db2.gz JXRZOPZMHBRWPL-MNOVXSKESA-N 2 0 237.347 0.529 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC[NH2+]C1 ZINC000638499512 352319159 /nfs/dbraw/zinc/31/91/59/352319159.db2.gz PZWPCVMOZISLNW-JQWIXIFHSA-N 2 0 237.347 0.387 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627064007 363179427 /nfs/dbraw/zinc/17/94/27/363179427.db2.gz NUCRTYOVOVJOEV-QWRGUYRKSA-N 2 0 242.367 0.426 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627063568 363179945 /nfs/dbraw/zinc/17/99/45/363179945.db2.gz SVWNBOBYDGRDGK-SNVBAGLBSA-N 2 0 240.351 0.180 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627063215 363181236 /nfs/dbraw/zinc/18/12/36/363181236.db2.gz OUHSRORPQCHICX-NXEZZACHSA-N 2 0 228.340 0.036 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638489565 352300924 /nfs/dbraw/zinc/30/09/24/352300924.db2.gz OCQCAXUTXMVJJF-NEPJUHHUSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638499904 352319986 /nfs/dbraw/zinc/31/99/86/352319986.db2.gz SOECOYSSVYOIAQ-VHSXEESVSA-N 2 0 239.363 0.761 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)CCCC[NH3+] ZINC000638490024 352302567 /nfs/dbraw/zinc/30/25/67/352302567.db2.gz STRQWAZCMGSIFP-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]1CCCC[N@@H+]1C ZINC000638519273 352351960 /nfs/dbraw/zinc/35/19/60/352351960.db2.gz VQSHMDRIDLRLMW-SNVBAGLBSA-N 2 0 213.325 0.278 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638506327 352327406 /nfs/dbraw/zinc/32/74/06/352327406.db2.gz SUYHTQSAUGVTRM-NSHDSACASA-N 2 0 246.314 0.509 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[NH2+]C12CCC2)[NH+](C)C ZINC000638506280 352327541 /nfs/dbraw/zinc/32/75/41/352327541.db2.gz SCAQIZCXZNRUBH-VHSXEESVSA-N 2 0 225.336 0.337 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000638522439 352354982 /nfs/dbraw/zinc/35/49/82/352354982.db2.gz GYFDBJULCMIGTJ-GFCCVEGCSA-N 2 0 235.331 0.364 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638507459 352330405 /nfs/dbraw/zinc/33/04/05/352330405.db2.gz IGKBCMTZDSZNPZ-VHSXEESVSA-N 2 0 225.336 0.385 20 0 BCADRP CC[C@@H](C(=O)N(CC)CC[NH3+])[NH+](C)C ZINC000638511954 352335525 /nfs/dbraw/zinc/33/55/25/352335525.db2.gz CVKTZLBKYACGCK-VIFPVBQESA-N 2 0 201.314 0.134 20 0 BCADRP CCN(CC[NH3+])C(=O)c1oc(C[NH3+])cc1C ZINC000638513522 352337203 /nfs/dbraw/zinc/33/72/03/352337203.db2.gz RSMDVZUPDDWPFH-UHFFFAOYSA-N 2 0 225.292 0.468 20 0 BCADRP CCN(CC[NH3+])C(=O)c1cccc2c1C[NH2+]C2 ZINC000638512749 352339199 /nfs/dbraw/zinc/33/91/99/352339199.db2.gz LHSNXNILNWRFOP-UHFFFAOYSA-N 2 0 233.315 0.711 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000638516477 352343064 /nfs/dbraw/zinc/34/30/64/352343064.db2.gz SKDSIZURXNNXHA-WDEREUQCSA-N 2 0 225.336 0.324 20 0 BCADRP CCN(CC[NH3+])C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000638517018 352344974 /nfs/dbraw/zinc/34/49/74/352344974.db2.gz KYDUTTZUUWFNLL-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@]1(CC)CCC[NH2+]1 ZINC000638516613 352345310 /nfs/dbraw/zinc/34/53/10/352345310.db2.gz FHTVNLZQXPBEBH-NSHDSACASA-N 2 0 213.325 0.326 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000638516638 352345827 /nfs/dbraw/zinc/34/58/27/352345827.db2.gz FYGSVDVIYJVSMP-JQWIXIFHSA-N 2 0 227.352 0.701 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000638517638 352348054 /nfs/dbraw/zinc/34/80/54/352348054.db2.gz XZPKFIRUZVMGNX-LBPRGKRZSA-N 2 0 235.331 0.802 20 0 BCADRP CCN(CC[NH3+])C(=O)C1CC[NH+](C(C)C)CC1 ZINC000638517723 352349134 /nfs/dbraw/zinc/34/91/34/352349134.db2.gz ZWQPTSHJSUOCAG-UHFFFAOYSA-N 2 0 241.379 0.914 20 0 BCADRP CCN(CC[NH3+])C(=O)c1ccc2c[nH+]cn2c1 ZINC000638518956 352351020 /nfs/dbraw/zinc/35/10/20/352351020.db2.gz SNCNNPBZQOYDOU-UHFFFAOYSA-N 2 0 232.287 0.755 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000638572600 352401217 /nfs/dbraw/zinc/40/12/17/352401217.db2.gz QKBNDHNTHUYBOO-OUAUKWLOSA-N 2 0 225.336 0.243 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000638535755 352367000 /nfs/dbraw/zinc/36/70/00/352367000.db2.gz DXIYGLWZSOITDZ-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP C(C[NH2+][C@H]1CCCNC1)C[C@@H]1CCC[NH2+]1 ZINC000414957910 352378560 /nfs/dbraw/zinc/37/85/60/352378560.db2.gz CDCHIDAVXSRUFW-RYUDHWBXSA-N 2 0 211.353 0.860 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000638566997 352393939 /nfs/dbraw/zinc/39/39/39/352393939.db2.gz GLSGDSOJNNCLBT-IVZWLZJFSA-N 2 0 227.352 0.617 20 0 BCADRP C(C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000126244163 187707087 /nfs/dbraw/zinc/70/70/87/187707087.db2.gz NSJYSEDZGYWVLW-BETUJISGSA-N 2 0 223.364 0.624 20 0 BCADRP C[C@H](O)CC[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000411738741 191207687 /nfs/dbraw/zinc/20/76/87/191207687.db2.gz UUELLYVRGMYQEH-ZDUSSCGKSA-N 2 0 245.411 0.573 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638575314 352402237 /nfs/dbraw/zinc/40/22/37/352402237.db2.gz GBQGWMBLIUJZSY-OUAUKWLOSA-N 2 0 223.320 0.291 20 0 BCADRP CC(C)([NH3+])CCC(=O)NC1(C[NH3+])CCOCC1 ZINC000638637973 352478941 /nfs/dbraw/zinc/47/89/41/352478941.db2.gz YXVAWCQWMNWGBX-UHFFFAOYSA-N 2 0 243.351 0.128 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[NH2+]1 ZINC000638638225 352479679 /nfs/dbraw/zinc/47/96/79/352479679.db2.gz BOTHXUVLMYLXRD-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)C[NH2+]1 ZINC000638638192 352479863 /nfs/dbraw/zinc/47/98/63/352479863.db2.gz BHMKLDRZWGHJPP-MIMYLULJSA-N 2 0 223.320 0.291 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C[NH2+]1 ZINC000638638245 352479905 /nfs/dbraw/zinc/47/99/05/352479905.db2.gz BSRFFITUOMFJRH-SRVKXCTJSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)c2ccnc(C[NH3+])c2)C[NH2+]1 ZINC000638640753 352482632 /nfs/dbraw/zinc/48/26/32/352482632.db2.gz BTNDHNCKKILYCF-GXSJLCMTSA-N 2 0 248.330 0.411 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638642419 352484161 /nfs/dbraw/zinc/48/41/61/352484161.db2.gz GOLNPKGNVAIKGJ-NXEZZACHSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[NH+](C)C ZINC000638642586 352484602 /nfs/dbraw/zinc/48/46/02/352484602.db2.gz XBENFZLRTFWQEU-BBBLOLIVSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])C2CCC2)C[NH2+]1 ZINC000638641559 352484946 /nfs/dbraw/zinc/48/49/46/352484946.db2.gz DRMGTGYVLOAGKY-IEBDPFPHSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC000638642704 352484978 /nfs/dbraw/zinc/48/49/78/352484978.db2.gz JMRYLBNDAHIJTJ-WOPDTQHZSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)[NH+](C)C ZINC000638642583 352485006 /nfs/dbraw/zinc/48/50/06/352485006.db2.gz XBENFZLRTFWQEU-AEJSXWLSSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[NH+](C)C ZINC000638642599 352485035 /nfs/dbraw/zinc/48/50/35/352485035.db2.gz XBENFZLRTFWQEU-UTLUCORTSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C[NH2+]1 ZINC000638642260 352485620 /nfs/dbraw/zinc/48/56/20/352485620.db2.gz WCJWAFDVXHQKOK-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638643908 352486073 /nfs/dbraw/zinc/48/60/73/352486073.db2.gz NEBOGDGGOBIUDU-NAKRPEOUSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@]23CC[NH2+]C3)C[NH2+]1 ZINC000638646311 352489030 /nfs/dbraw/zinc/48/90/30/352489030.db2.gz YUIJUGXYOOZXRZ-XZUYRWCXSA-N 2 0 237.347 0.243 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638653807 352494302 /nfs/dbraw/zinc/49/43/02/352494302.db2.gz HJORRMCCFJXBNF-DCAQKATOSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C[NH2+]1 ZINC000638653763 352494668 /nfs/dbraw/zinc/49/46/68/352494668.db2.gz HBRNITLEMYCTBK-AXFHLTTASA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)C[NH2+]1 ZINC000638653770 352495316 /nfs/dbraw/zinc/49/53/16/352495316.db2.gz HBRNITLEMYCTBK-VWYCJHECSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)CC2([NH3+])CCC2)C[NH2+]1 ZINC000638653783 352495373 /nfs/dbraw/zinc/49/53/73/352495373.db2.gz HGDLPNVULOCGAY-NXEZZACHSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC000638652510 352496248 /nfs/dbraw/zinc/49/62/48/352496248.db2.gz SGEWHIPIXCOSQU-UTUOFQBUSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC000638652511 352496299 /nfs/dbraw/zinc/49/62/99/352496299.db2.gz SGEWHIPIXCOSQU-WOPDTQHZSA-N 2 0 239.363 0.633 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638653908 352496851 /nfs/dbraw/zinc/49/68/51/352496851.db2.gz IQTWELHZXCQJBK-FOGDFJRCSA-N 2 0 227.352 0.761 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)C2([NH3+])CCCC2)C[NH2+]1 ZINC000638654216 352496959 /nfs/dbraw/zinc/49/69/59/352496959.db2.gz KRMJUIMOFGNTDM-VHSXEESVSA-N 2 0 225.336 0.515 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638654524 352497379 /nfs/dbraw/zinc/49/73/79/352497379.db2.gz LSURCFHPPUJRCL-UTLUCORTSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C[NH2+]1 ZINC000638657775 352500866 /nfs/dbraw/zinc/50/08/66/352500866.db2.gz YLYCYRHWLHVWRP-KXUCPTDWSA-N 2 0 227.352 0.617 20 0 BCADRP [NH3+]CCCOCCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000638661970 352505315 /nfs/dbraw/zinc/50/53/15/352505315.db2.gz DFUBHUUNQIELSQ-NSHDSACASA-N 2 0 243.351 0.000 20 0 BCADRP CC(C)[C@@H](C(=O)N(C)CCOCC[NH3+])[C@H](C)[NH3+] ZINC000638672069 352513524 /nfs/dbraw/zinc/51/35/24/352513524.db2.gz CCMLAKORKSZIPP-WDEREUQCSA-N 2 0 245.367 0.040 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638727832 352586375 /nfs/dbraw/zinc/58/63/75/352586375.db2.gz MIXXRJFRFQAWAM-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000040459714 352597924 /nfs/dbraw/zinc/59/79/24/352597924.db2.gz GAFMLAKIMXIGIW-SNVBAGLBSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](CNC(=O)C(C)(C)[NH3+])C[NH+]1CCCCC1 ZINC000040924312 352600489 /nfs/dbraw/zinc/60/04/89/352600489.db2.gz JVVVYTSYNLVBHZ-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000040807310 352604707 /nfs/dbraw/zinc/60/47/07/352604707.db2.gz LMBRUOJQCSWRNB-VIFPVBQESA-N 2 0 247.408 0.523 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042165698 352613676 /nfs/dbraw/zinc/61/36/76/352613676.db2.gz RZYGVPRTGOOPLS-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)[N@H+](C)C1CC1 ZINC000300422202 352563037 /nfs/dbraw/zinc/56/30/37/352563037.db2.gz WUVZITFKJYAFDA-JFGNBEQYSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@@H]([NH2+]CCCNC(C)=O)[C@@H]1CCC[NH2+]1 ZINC000422802294 192473810 /nfs/dbraw/zinc/47/38/10/192473810.db2.gz HBGDWNOXWUROJF-NEPJUHHUSA-N 2 0 227.352 0.633 20 0 BCADRP C[N@H+](CC(=O)N1CC[NH2+]CC1)CC(C)(C)C ZINC000044376426 352652404 /nfs/dbraw/zinc/65/24/04/352652404.db2.gz OHIVWFAMFJJWAG-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP C[NH+]1CCC(CNC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000044526605 352653929 /nfs/dbraw/zinc/65/39/29/352653929.db2.gz NEIXJCGPYHMZAZ-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP CCN(CC[NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000627065827 363193154 /nfs/dbraw/zinc/19/31/54/363193154.db2.gz LMECRAPDZXHKKQ-SNVBAGLBSA-N 2 0 228.340 0.119 20 0 BCADRP CCN(CC[NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000627065826 363193297 /nfs/dbraw/zinc/19/32/97/363193297.db2.gz LMECRAPDZXHKKQ-JTQLQIEISA-N 2 0 228.340 0.119 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638765192 352703974 /nfs/dbraw/zinc/70/39/74/352703974.db2.gz DSSSIRVNJGYAFY-AXFHLTTASA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000638773253 352714200 /nfs/dbraw/zinc/71/42/00/352714200.db2.gz MNCJBLZDJLBNCI-QJPTWQEYSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000638774055 352720166 /nfs/dbraw/zinc/72/01/66/352720166.db2.gz WRENIGXXOKSFQX-VHSXEESVSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334185720 352774661 /nfs/dbraw/zinc/77/46/61/352774661.db2.gz CDZVHPNVOZHDTH-VXGBXAGGSA-N 2 0 212.337 0.785 20 0 BCADRP CC[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000341914626 352731401 /nfs/dbraw/zinc/73/14/01/352731401.db2.gz VVMIPRWWWSJJRI-UHFFFAOYSA-N 2 0 241.379 0.346 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000638792368 352752377 /nfs/dbraw/zinc/75/23/77/352752377.db2.gz KIZAQUAKTPOVIB-WDEREUQCSA-N 2 0 227.352 0.476 20 0 BCADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N[C@@H]1CC[NH2+]C1 ZINC000638792179 352753738 /nfs/dbraw/zinc/75/37/38/352753738.db2.gz BDFYXSCIKLFZSM-YPMHNXCESA-N 2 0 245.326 0.699 20 0 BCADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CC[NH2+]1 ZINC000334218409 352819297 /nfs/dbraw/zinc/81/92/97/352819297.db2.gz YEEJMIBQAHRYRO-CMPLNLGQSA-N 2 0 237.347 0.481 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000334198309 352790986 /nfs/dbraw/zinc/79/09/86/352790986.db2.gz LMBJPJXPTYNWAK-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]1[C@@H](CO)CCC[N@@H+]1CCn1ccnc1 ZINC000412068159 191251877 /nfs/dbraw/zinc/25/18/77/191251877.db2.gz DYLYPJMGVVAPFA-VXGBXAGGSA-N 2 0 223.320 0.976 20 0 BCADRP C[C@@H]1[C@H](CO)CCC[N@@H+]1CCn1ccnc1 ZINC000412068151 191251947 /nfs/dbraw/zinc/25/19/47/191251947.db2.gz DYLYPJMGVVAPFA-NEPJUHHUSA-N 2 0 223.320 0.976 20 0 BCADRP C[C@@H](C(=O)NCC[NH+]1CCCCC1)C1C[NH2+]C1 ZINC000164457403 352804898 /nfs/dbraw/zinc/80/48/98/352804898.db2.gz WMXZHSSFBKLGGO-LLVKDONJSA-N 2 0 239.363 0.444 20 0 BCADRP [NH3+]C1(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000334298607 352918890 /nfs/dbraw/zinc/91/88/90/352918890.db2.gz DZNGLRIRCPMWTD-UHFFFAOYSA-N 2 0 249.289 0.901 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)NCC[NH2+]C2CC2)C[NH2+]1 ZINC000627068963 363200238 /nfs/dbraw/zinc/20/02/38/363200238.db2.gz NYBRSJBDJYWJGZ-ONGXEEELSA-N 2 0 240.351 0.178 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638845851 353026696 /nfs/dbraw/zinc/02/66/96/353026696.db2.gz WQNSVSKKBAIQAM-SNVBAGLBSA-N 2 0 247.342 0.543 20 0 BCADRP CN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@H]1C[NH+]2CCC1CC2 ZINC000638854891 353031946 /nfs/dbraw/zinc/03/19/46/353031946.db2.gz VQALDSLAJCAAIB-OLZOCXBDSA-N 2 0 249.358 0.587 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638815067 352995487 /nfs/dbraw/zinc/99/54/87/352995487.db2.gz KZMLFFPVOHSEEC-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCCCC[C@@H]([NH3+])C2)C1 ZINC000638815174 352996545 /nfs/dbraw/zinc/99/65/45/352996545.db2.gz FRLVYEQSOXGWTL-MXWKQRLJSA-N 2 0 225.336 0.454 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638818623 352998598 /nfs/dbraw/zinc/99/85/98/352998598.db2.gz CTAKQVZEABUWHP-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638818601 352998843 /nfs/dbraw/zinc/99/88/43/352998843.db2.gz ZNPGCWPYNMXPSM-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638818719 352998906 /nfs/dbraw/zinc/99/89/06/352998906.db2.gz FHQMRCMRPNSSIT-BDAKNGLRSA-N 2 0 249.305 0.699 20 0 BCADRP CO[C@H](C[NH3+])CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638819585 352999663 /nfs/dbraw/zinc/99/96/63/352999663.db2.gz KUSACYKSRZWHET-MNOVXSKESA-N 2 0 243.351 0.080 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638819834 353000387 /nfs/dbraw/zinc/00/03/87/353000387.db2.gz NRAIMCVVWQRPPE-NXEZZACHSA-N 2 0 213.325 0.454 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638822337 353003204 /nfs/dbraw/zinc/00/32/04/353003204.db2.gz IVNHOWSPUWDYOW-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000638822972 353004314 /nfs/dbraw/zinc/00/43/14/353004314.db2.gz NAADJNIKKGUHIU-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000638823848 353005213 /nfs/dbraw/zinc/00/52/13/353005213.db2.gz YLERHHIQLCMVNB-RYUDHWBXSA-N 2 0 239.363 0.858 20 0 BCADRP CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000334392625 353064905 /nfs/dbraw/zinc/06/49/05/353064905.db2.gz XXUBADMKLKYLIP-LLVKDONJSA-N 2 0 239.363 0.633 20 0 BCADRP CCCC[N@H+](CC)CCC(=O)N1CC[NH2+]CC1 ZINC000032021955 353070074 /nfs/dbraw/zinc/07/00/74/353070074.db2.gz BUMHPPXWQUYBSJ-UHFFFAOYSA-N 2 0 241.379 0.930 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914139 353072672 /nfs/dbraw/zinc/07/26/72/353072672.db2.gz MWSAOQRYPWSIAK-DCAQKATOSA-N 2 0 223.320 0.043 20 0 BCADRP C[C@@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000638915449 353074070 /nfs/dbraw/zinc/07/40/70/353074070.db2.gz QUUXFEZRRGAAGP-ICCXJUOJSA-N 2 0 245.326 0.893 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915126 353074245 /nfs/dbraw/zinc/07/42/45/353074245.db2.gz NJZMARCNOFFBOB-DCAQKATOSA-N 2 0 237.347 0.337 20 0 BCADRP [NH3+][C@@H](CCNC(=O)C1([NH3+])CC1)Cc1ccccc1 ZINC000638873600 353043903 /nfs/dbraw/zinc/04/39/03/353043903.db2.gz JTVATFJTYFKKRP-LBPRGKRZSA-N 2 0 247.342 0.554 20 0 BCADRP [NH3+][C@H](CCNC(=O)C1([NH3+])CC1)Cc1ccccc1 ZINC000638873598 353043950 /nfs/dbraw/zinc/04/39/50/353043950.db2.gz JTVATFJTYFKKRP-GFCCVEGCSA-N 2 0 247.342 0.554 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)CCC[NH3+])CC1 ZINC000019688018 188003404 /nfs/dbraw/zinc/00/34/04/188003404.db2.gz PPOIIKYGNAFMBV-UHFFFAOYSA-N 2 0 213.325 0.278 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000638937688 353111506 /nfs/dbraw/zinc/11/15/06/353111506.db2.gz UOVXKWWZSAXYNC-TVQRCGJNSA-N 2 0 245.326 0.852 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638937265 353111553 /nfs/dbraw/zinc/11/15/53/353111553.db2.gz SHYVGPAALKXSPL-UWVGGRQHSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)CCC1CC[NH2+]CC1 ZINC000638937260 353111586 /nfs/dbraw/zinc/11/15/86/353111586.db2.gz SHVRWIPBHMQOFF-CMPLNLGQSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)([NH3+])C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000261585807 535197979 /nfs/dbraw/zinc/19/79/79/535197979.db2.gz QQDPZZGZQWGXLM-SECBINFHSA-N 2 0 213.325 0.454 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627072129 363202778 /nfs/dbraw/zinc/20/27/78/363202778.db2.gz OVFIOJIHNHUYHO-SNVBAGLBSA-N 2 0 240.351 0.180 20 0 BCADRP O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917337 353081363 /nfs/dbraw/zinc/08/13/63/353081363.db2.gz OGFRWDBAWGWURJ-NNYUYHANSA-N 2 0 235.331 0.090 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000638918648 353083070 /nfs/dbraw/zinc/08/30/70/353083070.db2.gz BJJKKGYHEDXBHJ-DTORHVGOSA-N 2 0 235.287 0.315 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926241 353086695 /nfs/dbraw/zinc/08/66/95/353086695.db2.gz XKQKHJPARZXWPT-BBBLOLIVSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)CC1(C[NH3+])CC1 ZINC000638927952 353087888 /nfs/dbraw/zinc/08/78/88/353087888.db2.gz CRGWQMKJMJADON-IUCAKERBSA-N 2 0 211.309 0.064 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638929846 353090353 /nfs/dbraw/zinc/09/03/53/353090353.db2.gz IDTQADQQRNSJMX-IUCAKERBSA-N 2 0 237.303 0.608 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)c1cccc2c1C[NH2+]C2 ZINC000638929794 353090491 /nfs/dbraw/zinc/09/04/91/353090491.db2.gz HTBJGPHDRDVXEE-ONGXEEELSA-N 2 0 245.326 0.852 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000638931522 353092472 /nfs/dbraw/zinc/09/24/72/353092472.db2.gz PVKQKGIXOVAUFU-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000638931452 353092615 /nfs/dbraw/zinc/09/26/15/353092615.db2.gz LZORLPXTNMHKDR-MWLCHTKSSA-N 2 0 244.298 0.896 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000638933900 353096860 /nfs/dbraw/zinc/09/68/60/353096860.db2.gz DAOIVDIDEZSJAU-KKOKHZNYSA-N 2 0 239.363 0.807 20 0 BCADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCOC2)CC1 ZINC000341278557 188044082 /nfs/dbraw/zinc/04/40/82/188044082.db2.gz MFZKIBPJPPPKFK-GFCCVEGCSA-N 2 0 242.363 0.600 20 0 BCADRP CC(C)[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000336683206 188010898 /nfs/dbraw/zinc/01/08/98/188010898.db2.gz JPNQICYHIAHXNE-RYUDHWBXSA-N 2 0 214.353 0.887 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000059931330 188013060 /nfs/dbraw/zinc/01/30/60/188013060.db2.gz FDUJCXWJAFJGMI-JTQLQIEISA-N 2 0 213.325 0.180 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C2([NH3+])CCCC2)CC1 ZINC000638942771 353139150 /nfs/dbraw/zinc/13/91/50/353139150.db2.gz KDGPGZIXNOZBSL-XYPYZODXSA-N 2 0 239.363 0.892 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000340155001 188033449 /nfs/dbraw/zinc/03/34/49/188033449.db2.gz NJVKIUUZVAZQRF-UTUOFQBUSA-N 2 0 241.379 0.803 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000638943434 353141171 /nfs/dbraw/zinc/14/11/71/353141171.db2.gz UABMCQRMQAQLQO-SRVKXCTJSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000040921795 188043243 /nfs/dbraw/zinc/04/32/43/188043243.db2.gz JHOFEGXERBREBJ-VHSXEESVSA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)[N@@H+](C)CCN[C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000133970786 188049306 /nfs/dbraw/zinc/04/93/06/188049306.db2.gz BDTXXNBFRRMVKL-CHWSQXEVSA-N 2 0 243.395 0.683 20 0 BCADRP Cn1cncc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336298036 188054849 /nfs/dbraw/zinc/05/48/49/188054849.db2.gz ZAMSJLKPGCFNPL-UHFFFAOYSA-N 3 0 234.347 0.996 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000638946356 353148451 /nfs/dbraw/zinc/14/84/51/353148451.db2.gz MMOUCMUCXPTAJD-KXUCPTDWSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CCC(C)(C)[NH3+] ZINC000638945189 353148845 /nfs/dbraw/zinc/14/88/45/353148845.db2.gz CHRKNJVWLQIZOG-BDAKNGLRSA-N 2 0 213.325 0.452 20 0 BCADRP CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)[NH+](C)C ZINC000638950642 353153879 /nfs/dbraw/zinc/15/38/79/353153879.db2.gz LEZKIUHTOIOCHL-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)CC2([NH3+])CC2)CC1 ZINC000638950172 353155432 /nfs/dbraw/zinc/15/54/32/353155432.db2.gz JEQLHOJRCOKIRC-MGCOHNPYSA-N 2 0 225.336 0.502 20 0 BCADRP CC(C)[C@H](C[NH2+][C@@H](C)CC(N)=O)[NH+]1CCCC1 ZINC000341899343 188044919 /nfs/dbraw/zinc/04/49/19/188044919.db2.gz OFDFJQDNFWHGJJ-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638967234 353175176 /nfs/dbraw/zinc/17/51/76/353175176.db2.gz LASMHTGNVQGRPS-HAQNSBGRSA-N 2 0 241.379 0.962 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C[NH2+]C2CC2)CC1 ZINC000638971587 353179044 /nfs/dbraw/zinc/17/90/44/353179044.db2.gz ZWCDHAHEEWPVIM-HOMQSWHASA-N 2 0 225.336 0.372 20 0 BCADRP CCC1([NH+](C)C)CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000638975543 353182461 /nfs/dbraw/zinc/18/24/61/353182461.db2.gz KVHNHMDEBRWKKH-UHFFFAOYSA-N 2 0 239.363 0.811 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC1(C[NH3+])CCCCC1 ZINC000639000323 353248306 /nfs/dbraw/zinc/24/83/06/353248306.db2.gz QCWBBKKXZXLOBA-SNVBAGLBSA-N 2 0 227.352 0.762 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639022652 353278416 /nfs/dbraw/zinc/27/84/16/353278416.db2.gz OFESKHKJWXFIIZ-NHCYSSNCSA-N 2 0 227.352 0.890 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639022660 353278661 /nfs/dbraw/zinc/27/86/61/353278661.db2.gz OTLGLSXWKAXNOJ-MGCOHNPYSA-N 2 0 213.325 0.372 20 0 BCADRP CCN(CC)C(=O)[C@H](C)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000250042986 353267644 /nfs/dbraw/zinc/26/76/44/353267644.db2.gz VBZZLXCUWRLRQA-SRVKXCTJSA-N 2 0 241.379 0.912 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000250344580 353269662 /nfs/dbraw/zinc/26/96/62/353269662.db2.gz QFFWTMABOORHKT-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000353128684 188233724 /nfs/dbraw/zinc/23/37/24/188233724.db2.gz LLLNKIRNHSJVIW-TUAOUCFPSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639026876 353287397 /nfs/dbraw/zinc/28/73/97/353287397.db2.gz HOXCLXAQNOTTIN-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+](C)C ZINC000377745243 188251842 /nfs/dbraw/zinc/25/18/42/188251842.db2.gz BDMBPFNGMXYHIE-NEPJUHHUSA-N 2 0 241.379 0.688 20 0 BCADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)[NH3+] ZINC000037001285 188279416 /nfs/dbraw/zinc/27/94/16/188279416.db2.gz LXDJCPSHEJRFDS-ZJUUUORDSA-N 2 0 215.341 0.426 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089244 188282768 /nfs/dbraw/zinc/28/27/68/188282768.db2.gz WPATXAAHLJOCHQ-BDAKNGLRSA-N 2 0 201.314 0.036 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639030503 353297555 /nfs/dbraw/zinc/29/75/55/353297555.db2.gz GBIFPLHHKPLNHI-NAKRPEOUSA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)(O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724388 188284746 /nfs/dbraw/zinc/28/47/46/188284746.db2.gz PQFYKOVYPUPHIQ-SNVBAGLBSA-N 2 0 200.326 0.818 20 0 BCADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[NH2+]C1CC1 ZINC000037609221 188287180 /nfs/dbraw/zinc/28/71/80/188287180.db2.gz QBNQYBPQNXRWHN-LBPRGKRZSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639031343 353299356 /nfs/dbraw/zinc/29/93/56/353299356.db2.gz RGQCVUXESVUJPX-JXUBOQSCSA-N 2 0 213.325 0.356 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000038029440 188289816 /nfs/dbraw/zinc/28/98/16/188289816.db2.gz BEWRVKXGJMWVEC-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000165323198 353300016 /nfs/dbraw/zinc/30/00/16/353300016.db2.gz FSHLWTHCSNXGKC-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)N[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000639031959 353301255 /nfs/dbraw/zinc/30/12/55/353301255.db2.gz JMQVVGKPGUMSQK-BJDJZHNGSA-N 2 0 239.363 0.761 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](C)CC1 ZINC000055368225 188300555 /nfs/dbraw/zinc/30/05/55/188300555.db2.gz DZNHGTLDHHJMCX-GFCCVEGCSA-N 2 0 241.379 0.912 20 0 BCADRP O[C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]12 ZINC000252841689 353312093 /nfs/dbraw/zinc/31/20/93/353312093.db2.gz APCRVSADWOGUKO-FVCCEPFGSA-N 2 0 224.348 0.689 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062976485 188303848 /nfs/dbraw/zinc/30/38/48/188303848.db2.gz ZZYZIZAKCVFTFK-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062976486 188304019 /nfs/dbraw/zinc/30/40/19/188304019.db2.gz ZZYZIZAKCVFTFK-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000236621195 188259310 /nfs/dbraw/zinc/25/93/10/188259310.db2.gz YUPCJGFXEHJUKI-LLVKDONJSA-N 2 0 213.325 0.230 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C[N@H+](C)C(C)C ZINC000162737180 353330054 /nfs/dbraw/zinc/33/00/54/353330054.db2.gz HETVZIFPUCIGOE-NSHDSACASA-N 2 0 229.368 0.960 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000627075878 363216077 /nfs/dbraw/zinc/21/60/77/363216077.db2.gz PJYYPSXKHFHRMO-VWYCJHECSA-N 2 0 240.351 0.178 20 0 BCADRP CC(C)N1CC[C@@H]([NH+]2CCC(C[NH3+])CC2)C1=O ZINC000336200504 535226689 /nfs/dbraw/zinc/22/66/89/535226689.db2.gz NFMBUEWBPAMZGK-GFCCVEGCSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+]CCCCC(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000563713872 353358189 /nfs/dbraw/zinc/35/81/89/353358189.db2.gz OTZTXGSMVJFRDI-NSHDSACASA-N 2 0 225.336 0.468 20 0 BCADRP CC(C)[NH+]1CCC([NH2+]CCC(=O)N(C)C)CC1 ZINC000037751437 188325745 /nfs/dbraw/zinc/32/57/45/188325745.db2.gz MNULILYJOQEEAX-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000055085657 353346009 /nfs/dbraw/zinc/34/60/09/353346009.db2.gz NSLOARPELUVXPV-UHFFFAOYSA-N 2 0 241.379 0.772 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CSCN1 ZINC000163478933 353353215 /nfs/dbraw/zinc/35/32/15/353353215.db2.gz IZHMSNQDJUJRCI-VHSXEESVSA-N 2 0 243.376 0.249 20 0 BCADRP CCN(CC[NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000627077108 363217794 /nfs/dbraw/zinc/21/77/94/363217794.db2.gz SOGQFZILVRLNCT-UHFFFAOYSA-N 2 0 228.340 0.247 20 0 BCADRP [NH3+]CC(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639071247 353387067 /nfs/dbraw/zinc/38/70/67/353387067.db2.gz IVBNRBASGYHHPL-VIFPVBQESA-N 2 0 219.288 0.424 20 0 BCADRP CC(C)(O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000163667181 188365859 /nfs/dbraw/zinc/36/58/59/188365859.db2.gz GDTXBXRXPAQOPM-AXFHLTTASA-N 2 0 212.337 0.817 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)[NH+](C)C ZINC000412392876 191278594 /nfs/dbraw/zinc/27/85/94/191278594.db2.gz FTXRHBWFWJKGSB-JQWIXIFHSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(N)nc1 ZINC000262523242 188370727 /nfs/dbraw/zinc/37/07/27/188370727.db2.gz YWEIBWQELHYKQC-VIFPVBQESA-N 2 0 222.292 0.976 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627081923 363229257 /nfs/dbraw/zinc/22/92/57/363229257.db2.gz WNMAPAOXJNOYDF-WDEREUQCSA-N 2 0 242.367 0.426 20 0 BCADRP CC[NH2+]CCCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000571669492 353490201 /nfs/dbraw/zinc/49/02/01/353490201.db2.gz QIERPOJUFCHUDQ-NEPJUHHUSA-N 2 0 213.369 0.964 20 0 BCADRP CC[C@@H]1C(=O)NCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000134490651 353491491 /nfs/dbraw/zinc/49/14/91/353491491.db2.gz ZOAQPIYVHBSBAY-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000574986411 353514228 /nfs/dbraw/zinc/51/42/28/353514228.db2.gz ILVKXRTZEVNHHF-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627082647 363233435 /nfs/dbraw/zinc/23/34/35/363233435.db2.gz METIJBNVKFWDPY-UWVGGRQHSA-N 2 0 240.351 0.308 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)NCC2([NH3+])CCC2)C[NH2+]1 ZINC000627083803 363233501 /nfs/dbraw/zinc/23/35/01/363233501.db2.gz KVJMJYKWYDCHHD-VHSXEESVSA-N 2 0 240.351 0.308 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000334514254 353579437 /nfs/dbraw/zinc/57/94/37/353579437.db2.gz HTDLMFBHSQZXGD-GHMZBOCLSA-N 2 0 227.352 0.535 20 0 BCADRP COCCC[N@H+](C)CCNC(=O)CC[C@H](C)[NH3+] ZINC000193318920 353583468 /nfs/dbraw/zinc/58/34/68/353583468.db2.gz KKDMKZHVNADOTN-NSHDSACASA-N 2 0 245.367 0.198 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627090635 363243229 /nfs/dbraw/zinc/24/32/29/363243229.db2.gz XTGDIQWWGGCJFV-HBNTYKKESA-N 2 0 242.367 0.424 20 0 BCADRP CC[C@@]1(C(=O)NC[C@H]2CCC[N@@H+]2C)CCC[NH2+]1 ZINC000231786583 353655121 /nfs/dbraw/zinc/65/51/21/353655121.db2.gz DOHPQRTUZYBHEC-YPMHNXCESA-N 2 0 239.363 0.729 20 0 BCADRP CC[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+]2C)CCC[NH2+]1 ZINC000231786576 353655349 /nfs/dbraw/zinc/65/53/49/353655349.db2.gz DOHPQRTUZYBHEC-AAEUAGOBSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC/C=C\C[NH3+] ZINC000627092693 363250907 /nfs/dbraw/zinc/25/09/07/363250907.db2.gz DAIFOTVZIJIVFA-DLRQAJBASA-N 2 0 240.351 0.141 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)CCC[NH3+] ZINC000627096730 363253449 /nfs/dbraw/zinc/25/34/49/363253449.db2.gz YTCKUISYLKXQPA-OUAUKWLOSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N(C)CCC[NH+](C)C ZINC000639122120 353769995 /nfs/dbraw/zinc/76/99/95/353769995.db2.gz RTUCIEGDBLGODT-SNVBAGLBSA-N 2 0 230.356 0.174 20 0 BCADRP O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C1 ZINC000627101882 363261683 /nfs/dbraw/zinc/26/16/83/363261683.db2.gz YGVHXMNQJJAANY-WDEREUQCSA-N 2 0 240.351 0.180 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000343410173 353879124 /nfs/dbraw/zinc/87/91/24/353879124.db2.gz BGBHIFUYWGKXGI-GARJFASQSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000343418291 353880538 /nfs/dbraw/zinc/88/05/38/353880538.db2.gz LCFJXCFTWDBOEQ-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627106898 363266040 /nfs/dbraw/zinc/26/60/40/363266040.db2.gz MVJRNCWUAJMSDX-QCLAVDOMSA-N 2 0 228.340 0.162 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000627109115 363266810 /nfs/dbraw/zinc/26/68/10/363266810.db2.gz QOICDHRGLKPQAV-GFCCVEGCSA-N 2 0 248.330 0.306 20 0 BCADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)c1c[nH+]ccc1N ZINC000343660123 353943265 /nfs/dbraw/zinc/94/32/65/353943265.db2.gz LNYVFDJWKLXHCD-IONNQARKSA-N 2 0 220.276 0.056 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000343468492 353899120 /nfs/dbraw/zinc/89/91/20/353899120.db2.gz DPTLWSZXCVIINR-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000577951694 366135190 /nfs/dbraw/zinc/13/51/90/366135190.db2.gz LIDXYXRTUDOHBV-ZJUUUORDSA-N 2 0 243.351 0.126 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000366844081 353983778 /nfs/dbraw/zinc/98/37/78/353983778.db2.gz MRWCWPGFTVPIMW-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000343775011 353985341 /nfs/dbraw/zinc/98/53/41/353985341.db2.gz TUWCIZMEORALKB-NSHDSACASA-N 2 0 235.331 0.711 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)C1 ZINC000334551537 353991575 /nfs/dbraw/zinc/99/15/75/353991575.db2.gz JUQWGBUQDSYSOF-OLZOCXBDSA-N 2 0 247.342 0.815 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)C1 ZINC000334551541 353991665 /nfs/dbraw/zinc/99/16/65/353991665.db2.gz JUQWGBUQDSYSOF-STQMWFEESA-N 2 0 247.342 0.815 20 0 BCADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000577955180 366138471 /nfs/dbraw/zinc/13/84/71/366138471.db2.gz GOZKYMIREOTTEF-NRUUGDAUSA-N 2 0 235.331 0.091 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CC1CC[NH2+]CC1 ZINC000343642500 353951789 /nfs/dbraw/zinc/95/17/89/353951789.db2.gz OXLFBGYEUTUOIP-KOLCDFICSA-N 2 0 225.336 0.324 20 0 BCADRP CO[C@@]1(C[N@H+](C)CCC[NH+](C)C)CCOC1 ZINC000639167706 354038586 /nfs/dbraw/zinc/03/85/86/354038586.db2.gz JWOGOLUDWDBJMT-GFCCVEGCSA-N 2 0 230.352 0.675 20 0 BCADRP CO[C@@H]1C[N@H+](CCOCC[NH3+])CC[C@@H]1C ZINC000230312140 363303982 /nfs/dbraw/zinc/30/39/82/363303982.db2.gz CQEFDPHIXYKQNH-WDEREUQCSA-N 2 0 216.325 0.319 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449643508 201996245 /nfs/dbraw/zinc/99/62/45/201996245.db2.gz IDXWYWRFHIYTIJ-TUAOUCFPSA-N 2 0 241.379 0.851 20 0 BCADRP O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000449684339 202002122 /nfs/dbraw/zinc/00/21/22/202002122.db2.gz KOAYDVFDRSNVIQ-VXGBXAGGSA-N 2 0 239.363 0.777 20 0 BCADRP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000449684338 202002511 /nfs/dbraw/zinc/00/25/11/202002511.db2.gz KOAYDVFDRSNVIQ-RYUDHWBXSA-N 2 0 239.363 0.777 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449734029 202010729 /nfs/dbraw/zinc/01/07/29/202010729.db2.gz LLDDLWVRYJKTPK-JFGNBEQYSA-N 2 0 237.347 0.337 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449732261 202010840 /nfs/dbraw/zinc/01/08/40/202010840.db2.gz AQEGZBCFYHENHU-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167517115 134000891 /nfs/dbraw/zinc/00/08/91/134000891.db2.gz IUXYTMNLPSZOGO-TUAOUCFPSA-N 2 0 239.363 0.666 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449745445 202018670 /nfs/dbraw/zinc/01/86/70/202018670.db2.gz BZAUNNKISCRQBK-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000178601233 366145191 /nfs/dbraw/zinc/14/51/91/366145191.db2.gz QCBQIOHALZBPIK-VHSXEESVSA-N 2 0 227.352 0.428 20 0 BCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(C)(C)[NH3+])CC[C@H]21 ZINC000167532603 134004457 /nfs/dbraw/zinc/00/44/57/134004457.db2.gz AOQZKPSHHJVBRD-WDEREUQCSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H](NC(=O)C1([NH3+])CCCCC1)[C@H](C)[NH3+] ZINC000334621316 354358528 /nfs/dbraw/zinc/35/85/28/354358528.db2.gz SWXMXOXLBVCZBD-DTWKUNHWSA-N 2 0 213.325 0.500 20 0 BCADRP C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC000578016350 366179636 /nfs/dbraw/zinc/17/96/36/366179636.db2.gz VXHIZEAKEDMTFN-GARJFASQSA-N 2 0 241.379 0.816 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000179012516 366199815 /nfs/dbraw/zinc/19/98/15/366199815.db2.gz CTGLHFZRBCGONR-AXFHLTTASA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)[NH+]1CCC(N[C@@H]2CCNC2=O)CC1 ZINC000179068825 366203001 /nfs/dbraw/zinc/20/30/01/366203001.db2.gz UNNJJFVGSSRGLQ-LLVKDONJSA-N 2 0 225.336 0.337 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)COC)[C@H](C)C1 ZINC000178979355 366197378 /nfs/dbraw/zinc/19/73/78/366197378.db2.gz UFJRPAWHTQKHSN-FRRDWIJNSA-N 2 0 244.379 0.656 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)CC2CC[NH2+]CC2)[C@H]1C ZINC000334662478 354462760 /nfs/dbraw/zinc/46/27/60/354462760.db2.gz DQDFFUVZTHZQOH-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@]1(F)CNCCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000334663877 354464360 /nfs/dbraw/zinc/46/43/60/354464360.db2.gz YLKHATNZXGQCCE-ZYHUDNBSSA-N 2 0 243.326 0.274 20 0 BCADRP C[C@H]1CN(C(=O)C2(C[NH3+])CCCC2)CC[C@H]1[NH3+] ZINC000334708622 354504053 /nfs/dbraw/zinc/50/40/53/354504053.db2.gz NOTXVTWPAFPANN-WDEREUQCSA-N 2 0 239.363 0.701 20 0 BCADRP CC(C)N1CCC[C@@H]([N@@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000334802075 354557683 /nfs/dbraw/zinc/55/76/83/354557683.db2.gz XADLOOZFSZESLK-NWDGAFQWSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](C)[C@H]1C ZINC000345327950 354611194 /nfs/dbraw/zinc/61/11/94/354611194.db2.gz UMBRKEFUIXVEPF-NWDGAFQWSA-N 2 0 241.379 0.926 20 0 BCADRP C[NH2+]CCNC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418317349 491066222 /nfs/dbraw/zinc/06/62/22/491066222.db2.gz MLGRRGLMSLCUJQ-SNVBAGLBSA-N 2 0 242.367 0.283 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000345722790 354743981 /nfs/dbraw/zinc/74/39/81/354743981.db2.gz ROIDKZPGHMOIEW-UMNHJUIQSA-N 2 0 227.352 0.748 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC(C)(C)CC[NH3+] ZINC000627158089 363398916 /nfs/dbraw/zinc/39/89/16/363398916.db2.gz IQJVKFCTUUJXPE-VHSXEESVSA-N 2 0 242.367 0.554 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H](C[NH3+])C1 ZINC000627158745 363398976 /nfs/dbraw/zinc/39/89/76/363398976.db2.gz CVPRQYMIOLWWTL-OUAUKWLOSA-N 2 0 240.351 0.117 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](COC)C1 ZINC000234392187 363421418 /nfs/dbraw/zinc/42/14/18/363421418.db2.gz SDOZPTHAHZSVAK-LLVKDONJSA-N 2 0 200.326 0.954 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449750831 202020638 /nfs/dbraw/zinc/02/06/38/202020638.db2.gz WTPASDNGZHJORG-BDAKNGLRSA-N 2 0 213.325 0.371 20 0 BCADRP CCn1nncc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000530206319 324523382 /nfs/dbraw/zinc/52/33/82/324523382.db2.gz ANDSOMAUPHZNNA-UHFFFAOYSA-N 2 0 237.351 0.905 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000449747990 202021369 /nfs/dbraw/zinc/02/13/69/202021369.db2.gz AFCRBKREIXDHBL-GHMZBOCLSA-N 2 0 239.363 0.775 20 0 BCADRP COC[C@@H](NC[C@H]1CCC[NH2+]1)C(C)C ZINC000234715769 363427236 /nfs/dbraw/zinc/42/72/36/363427236.db2.gz SCHBMWAQCNVDSL-GHMZBOCLSA-N 2 0 200.326 0.999 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000366942950 354908955 /nfs/dbraw/zinc/90/89/55/354908955.db2.gz JATZXUCZEAFUHR-LPEHRKFASA-N 2 0 231.315 0.272 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000366943150 354950939 /nfs/dbraw/zinc/95/09/39/354950939.db2.gz JYQRGZUGABKFHY-DCAQKATOSA-N 2 0 243.326 0.287 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000335204144 355038788 /nfs/dbraw/zinc/03/87/88/355038788.db2.gz GUUWYPPGIJMBBZ-JTQLQIEISA-N 2 0 225.336 0.455 20 0 BCADRP C[C@@H](NC(=O)C1(C)C[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000335219559 355058591 /nfs/dbraw/zinc/05/85/91/355058591.db2.gz PTUFAPWOSSKCDS-NXEZZACHSA-N 2 0 225.336 0.100 20 0 BCADRP COC(=O)[C@]1(C)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000346954338 355166598 /nfs/dbraw/zinc/16/65/98/355166598.db2.gz AWVQAWQHZPVFBQ-CYBMUJFWSA-N 2 0 240.347 0.871 20 0 BCADRP COC(=O)[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346830208 355128839 /nfs/dbraw/zinc/12/88/39/355128839.db2.gz KEFQTFQGADACJW-QWRGUYRKSA-N 2 0 226.320 0.481 20 0 BCADRP OCC[N@@H+](Cc1cccnc1)CC1CC[NH2+]CC1 ZINC000346848224 355136659 /nfs/dbraw/zinc/13/66/59/355136659.db2.gz PWOUIPVUAMFSQA-UHFFFAOYSA-N 2 0 249.358 0.876 20 0 BCADRP CC(C)C(=O)N[C@H]1CCCN(CC(C)(C)[NH3+])C1 ZINC000346856782 355140267 /nfs/dbraw/zinc/14/02/67/355140267.db2.gz WKDHIEFHFNOFCR-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH2+]C)C1 ZINC000040503659 358493771 /nfs/dbraw/zinc/49/37/71/358493771.db2.gz VGGXEQNTEUBUKX-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C[C@@]1(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC[NH2+]C1 ZINC000335241595 355176736 /nfs/dbraw/zinc/17/67/36/355176736.db2.gz TYKNJEGJTYVKOX-QWHCGFSZSA-N 2 0 239.363 0.492 20 0 BCADRP COC[C@](C)(CCO)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000346982278 355184786 /nfs/dbraw/zinc/18/47/86/355184786.db2.gz NWDSKDODARMEJO-NEPJUHHUSA-N 2 0 230.352 0.363 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000346985981 355187394 /nfs/dbraw/zinc/18/73/94/355187394.db2.gz RHFLOYWWLVUHHK-UPJWGTAASA-N 2 0 223.364 0.670 20 0 BCADRP CC(C)([NH3+])CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000347001828 355200000 /nfs/dbraw/zinc/20/00/00/355200000.db2.gz IGVJSSSSUVZSGE-LBPRGKRZSA-N 2 0 241.379 0.378 20 0 BCADRP COC(=O)c1ccc(CN2CC[C@H](C[NH3+])C2)[nH]1 ZINC000347015477 355205583 /nfs/dbraw/zinc/20/55/83/355205583.db2.gz JNUXVTLJMVWRFH-SECBINFHSA-N 2 0 237.303 0.582 20 0 BCADRP CC(C)NC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113512257 355248228 /nfs/dbraw/zinc/24/82/28/355248228.db2.gz XEVUYNUOOMYTTI-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000347612201 355234812 /nfs/dbraw/zinc/23/48/12/355234812.db2.gz PRKHKORBSJOKIM-TUAOUCFPSA-N 2 0 237.347 0.101 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000347685308 355269481 /nfs/dbraw/zinc/26/94/81/355269481.db2.gz LCBCJRUMEVTCLL-BBBLOLIVSA-N 2 0 213.325 0.323 20 0 BCADRP CCNC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335281764 355272963 /nfs/dbraw/zinc/27/29/63/355272963.db2.gz XFFTTXFPBGFXPS-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC(=O)N2)CC[N@@H+]1C ZINC000639245674 355254961 /nfs/dbraw/zinc/25/49/61/355254961.db2.gz ZTHQQCKPLMKAFU-NQBHXWOUSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CC1(C[NH3+])CC1 ZINC000335436526 355307827 /nfs/dbraw/zinc/30/78/27/355307827.db2.gz NGEQQHKWCYEQEL-IUCAKERBSA-N 2 0 211.309 0.064 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC000639259626 355309937 /nfs/dbraw/zinc/30/99/37/355309937.db2.gz BTANNCDYEMHTRC-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1C[C@H](O)C[N@@H+]1CCCc1cncn1C ZINC000314638118 355359089 /nfs/dbraw/zinc/35/90/89/355359089.db2.gz UNLTZQONBQVSLW-JQWIXIFHSA-N 2 0 223.320 0.808 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000191364176 355394760 /nfs/dbraw/zinc/39/47/60/355394760.db2.gz WNVADWVUWPZHDJ-SNVBAGLBSA-N 2 0 213.325 0.276 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)c1ccc2c(c1)C[NH2+]C2 ZINC000335800719 355493703 /nfs/dbraw/zinc/49/37/03/355493703.db2.gz YVHZTDHRRHUIAR-ZDUSSCGKSA-N 2 0 245.326 0.772 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000335820992 355539094 /nfs/dbraw/zinc/53/90/94/355539094.db2.gz HNRNNKKJZFBCPB-MNOVXSKESA-N 2 0 227.352 0.522 20 0 BCADRP [NH2+]=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CC1 ZINC000112332699 181198515 /nfs/dbraw/zinc/19/85/15/181198515.db2.gz HVBDGFPKGVLCJU-GHMZBOCLSA-N 2 0 238.335 0.126 20 0 BCADRP CCN(C)C(=O)[C@H](C)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415104728 191680843 /nfs/dbraw/zinc/68/08/43/191680843.db2.gz LJGKDPAENSUJHX-SRVKXCTJSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+]CC1(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)CCCC1 ZINC000335839347 355569107 /nfs/dbraw/zinc/56/91/07/355569107.db2.gz MFJFQCJFTCFEAY-PWSUYJOCSA-N 2 0 237.347 0.374 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CC[NH+](CC(C)C)CC1 ZINC000582186012 355660450 /nfs/dbraw/zinc/66/04/50/355660450.db2.gz JOOZWIYTHSWNCG-ZDUSSCGKSA-N 2 0 243.395 0.230 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CC[NH3+] ZINC000417011322 191774065 /nfs/dbraw/zinc/77/40/65/191774065.db2.gz RNJGSZDVYHCXLJ-SNVBAGLBSA-N 2 0 230.356 0.317 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000582190966 355700395 /nfs/dbraw/zinc/70/03/95/355700395.db2.gz JRFVHEWVONPNTQ-LBPRGKRZSA-N 2 0 225.336 0.326 20 0 BCADRP CC[NH+](CC)CCCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000416807809 191764719 /nfs/dbraw/zinc/76/47/19/191764719.db2.gz GNXVSKXSBHIRQH-NSHDSACASA-N 2 0 244.383 0.707 20 0 BCADRP CC(C)[NH+](CCNC(=O)NCCC[NH3+])C(C)C ZINC000416818196 191765712 /nfs/dbraw/zinc/76/57/12/191765712.db2.gz ZNIYDHCYDSOLNL-UHFFFAOYSA-N 2 0 244.383 0.753 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NC(C)(C)CC[NH3+] ZINC000584349491 355859212 /nfs/dbraw/zinc/85/92/12/355859212.db2.gz WXDOHSPHYZGIBI-BDAKNGLRSA-N 2 0 230.356 0.539 20 0 BCADRP C([C@H]1CCC[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000336028963 134058037 /nfs/dbraw/zinc/05/80/37/134058037.db2.gz BKVYPCPCHMLVPT-STQMWFEESA-N 2 0 223.364 0.671 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000583614173 355830572 /nfs/dbraw/zinc/83/05/72/355830572.db2.gz FSNKGGYUUKWPOZ-LPEHRKFASA-N 2 0 227.352 0.474 20 0 BCADRP C[C@H](CNC1=[NH+]CCCN1)[NH+]1CCCC1 ZINC000386429544 355936541 /nfs/dbraw/zinc/93/65/41/355936541.db2.gz LFEOWAYDMCMSGE-SNVBAGLBSA-N 2 0 210.325 0.410 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000417843383 191934951 /nfs/dbraw/zinc/93/49/51/191934951.db2.gz VIXKOMAXPOZOIX-VXGBXAGGSA-N 2 0 239.363 0.762 20 0 BCADRP CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H](C[NH3+])C1CC1 ZINC000417841836 191934966 /nfs/dbraw/zinc/93/49/66/191934966.db2.gz PFRMIYWUUKKVDT-UTUOFQBUSA-N 2 0 239.363 0.557 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417841146 191935313 /nfs/dbraw/zinc/93/53/13/191935313.db2.gz SOAXNGSRMOLZGA-NWDGAFQWSA-N 2 0 241.379 0.851 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000216465667 356063377 /nfs/dbraw/zinc/06/33/77/356063377.db2.gz JSNUNZYKHVBANE-NSHDSACASA-N 2 0 227.352 0.491 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)[NH+](C)C ZINC000351746863 356078959 /nfs/dbraw/zinc/07/89/59/356078959.db2.gz HWMLFGWYIYLFQT-IJLUTSLNSA-N 2 0 241.379 0.768 20 0 BCADRP CC(C)N1CC[C@H]([N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)C1=O ZINC000351867617 356102882 /nfs/dbraw/zinc/10/28/82/356102882.db2.gz YXNVNQFCPHHGLM-TUAOUCFPSA-N 2 0 239.363 0.665 20 0 BCADRP C[NH2+]CCCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000418277953 192012849 /nfs/dbraw/zinc/01/28/49/192012849.db2.gz KAYKYQHEHJEIGV-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP C[NH2+]CCCNC(=O)NCC[N@H+]1CC=CCC1 ZINC000418278668 192013103 /nfs/dbraw/zinc/01/31/03/192013103.db2.gz MNMOJVOXWRLZDY-UHFFFAOYSA-N 2 0 240.351 0.157 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NCC1([NH3+])CCCCC1 ZINC000418298250 192019968 /nfs/dbraw/zinc/01/99/68/192019968.db2.gz POILNHRICFEBKX-JTQLQIEISA-N 2 0 242.367 0.685 20 0 BCADRP CC[NH2+]CCNC(=O)NCC1([NH3+])CCCCC1 ZINC000418295376 192020009 /nfs/dbraw/zinc/02/00/09/192020009.db2.gz JRULXOHVVNSSGI-UHFFFAOYSA-N 2 0 242.367 0.557 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418312768 192021924 /nfs/dbraw/zinc/02/19/24/192021924.db2.gz HNJBSSDGUJBODX-QWRGUYRKSA-N 2 0 242.367 0.269 20 0 BCADRP C[C@@]1(CNC(=O)NCCC[NH3+])CCC[NH2+]C1 ZINC000418310370 192022132 /nfs/dbraw/zinc/02/21/32/192022132.db2.gz JQWBIUSFALZLBF-LLVKDONJSA-N 2 0 228.340 0.024 20 0 BCADRP C[NH2+]CCNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418321716 192024037 /nfs/dbraw/zinc/02/40/37/192024037.db2.gz ZZSFREAFEOGRCT-XYPYZODXSA-N 2 0 242.367 0.270 20 0 BCADRP [NH3+][C@@H](CNC(=O)NCCC[NH2+]C1CC1)C1CC1 ZINC000418290425 192016500 /nfs/dbraw/zinc/01/65/00/192016500.db2.gz REUOFGGATCJOKD-NSHDSACASA-N 2 0 240.351 0.165 20 0 BCADRP C[C@@H]1OCC[C@@H]1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000639457753 356243147 /nfs/dbraw/zinc/24/31/47/356243147.db2.gz XKGBHIXTPOEVAX-IRCOFANPSA-N 2 0 210.321 0.563 20 0 BCADRP NC[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420292664 192203870 /nfs/dbraw/zinc/20/38/70/192203870.db2.gz PUQANGORTNXRLO-NWDGAFQWSA-N 2 0 211.353 0.799 20 0 BCADRP CC[NH+](CC)CCCN1CCO[C@@H](C[NH3+])C1 ZINC000420298950 192204870 /nfs/dbraw/zinc/20/48/70/192204870.db2.gz AJMADKYNCQFFBZ-LBPRGKRZSA-N 2 0 229.368 0.378 20 0 BCADRP C[C@@H]1CN(CC[N@H+](C)CC(C)(C)C[NH3+])CCO1 ZINC000420295941 192205134 /nfs/dbraw/zinc/20/51/34/192205134.db2.gz WIQKGIIFXFPQDE-GFCCVEGCSA-N 2 0 243.395 0.624 20 0 BCADRP [NH3+]C[C@H]1CN(CCC[NH+]2CCCCC2)CCO1 ZINC000420299992 192207533 /nfs/dbraw/zinc/20/75/33/192207533.db2.gz CAWQOEAPAAXDMR-ZDUSSCGKSA-N 2 0 241.379 0.522 20 0 BCADRP NC(=O)C[C@@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420302909 192206203 /nfs/dbraw/zinc/20/62/03/192206203.db2.gz MSQHGCDFYAWGPI-RYUDHWBXSA-N 2 0 239.363 0.716 20 0 BCADRP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420319222 192196085 /nfs/dbraw/zinc/19/60/85/192196085.db2.gz RINUTRYUKYXLHL-BFHYXJOUSA-N 3 0 237.391 0.917 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@](C)(C[NH3+])C2)CCC[NH2+]1 ZINC000336125205 134092792 /nfs/dbraw/zinc/09/27/92/134092792.db2.gz MCXYUVJVCXZPGH-CHWSQXEVSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)[NH3+] ZINC000336127628 134093550 /nfs/dbraw/zinc/09/35/50/134093550.db2.gz GAVWISNBIFVIQU-SCZZXKLOSA-N 2 0 225.336 0.323 20 0 BCADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000639488826 356305450 /nfs/dbraw/zinc/30/54/50/356305450.db2.gz LNOAXDXXDZFKHO-VXGBXAGGSA-N 2 0 249.362 0.649 20 0 BCADRP CCCCCNC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000420276441 192199034 /nfs/dbraw/zinc/19/90/34/192199034.db2.gz RRULDNPIKNHMMR-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000617750318 356308660 /nfs/dbraw/zinc/30/86/60/356308660.db2.gz AXJHRQOEEGOSEP-LLVKDONJSA-N 2 0 229.368 0.783 20 0 BCADRP C[C@@H](CN1CCOCC1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000420289988 192201169 /nfs/dbraw/zinc/20/11/69/192201169.db2.gz LAWUTOYIFHBOMN-LBPRGKRZSA-N 2 0 243.395 0.624 20 0 BCADRP COC(=O)CC1(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000420292901 192202499 /nfs/dbraw/zinc/20/24/99/192202499.db2.gz QHEGIBREDYFQLB-QWRGUYRKSA-N 2 0 240.347 0.999 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420294131 192202730 /nfs/dbraw/zinc/20/27/30/192202730.db2.gz SLIWOBNOTXABAX-NWDGAFQWSA-N 2 0 241.379 0.914 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420337359 192213669 /nfs/dbraw/zinc/21/36/69/192213669.db2.gz WUAOEDCKQNFIIO-CHWSQXEVSA-N 3 0 225.380 0.917 20 0 BCADRP COCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329823 192214202 /nfs/dbraw/zinc/21/42/02/192214202.db2.gz PCAGPWOTFOHMMO-NWDGAFQWSA-N 2 0 212.337 0.954 20 0 BCADRP COCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329826 192214342 /nfs/dbraw/zinc/21/43/42/192214342.db2.gz PCAGPWOTFOHMMO-VXGBXAGGSA-N 2 0 212.337 0.954 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000336425953 356368174 /nfs/dbraw/zinc/36/81/74/356368174.db2.gz TXVQAFLZSRKDAR-QWRGUYRKSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420299674 192207662 /nfs/dbraw/zinc/20/76/62/192207662.db2.gz BGFVJVVUQSUFBK-SRVKXCTJSA-N 2 0 240.347 0.997 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000420303340 192207831 /nfs/dbraw/zinc/20/78/31/192207831.db2.gz XECGQMCWVNWXHY-SNVBAGLBSA-N 2 0 214.309 0.609 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000420312971 192209898 /nfs/dbraw/zinc/20/98/98/192209898.db2.gz SUDWXZKDYQZCQX-SDDRHHMPSA-N 2 0 239.363 0.524 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420309700 192209934 /nfs/dbraw/zinc/20/99/34/192209934.db2.gz FBOOAVCIVIXEDD-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420311173 192210949 /nfs/dbraw/zinc/21/09/49/192210949.db2.gz GYSGYLZOWXPNRR-WDEREUQCSA-N 2 0 226.320 0.481 20 0 BCADRP C[NH2+]CCC[NH2+][C@@](C)(COC)CC(=O)OC ZINC000420367555 192225966 /nfs/dbraw/zinc/22/59/66/192225966.db2.gz GZIKWVPLEASWMJ-LLVKDONJSA-N 2 0 232.324 0.154 20 0 BCADRP C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000420369786 192228032 /nfs/dbraw/zinc/22/80/32/192228032.db2.gz OMUSSEIZLJKAHE-WZRBSPASSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@H](N)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327688 192229261 /nfs/dbraw/zinc/22/92/61/192229261.db2.gz LSCYMIUSFAQSTB-QJPTWQEYSA-N 2 0 211.353 0.655 20 0 BCADRP C[NH2+]CCCN1CC[NH2+]C[C@](C)(F)C1 ZINC000420325387 192230086 /nfs/dbraw/zinc/23/00/86/192230086.db2.gz DDJGWGFDLRGAHT-JTQLQIEISA-N 2 0 203.305 0.229 20 0 BCADRP CCC[C@H]1C(=O)NCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420360745 192222725 /nfs/dbraw/zinc/22/27/25/192222725.db2.gz MCVGGNLAFJMUNF-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@@H]1CC(=O)OC ZINC000420365863 192224574 /nfs/dbraw/zinc/22/45/74/192224574.db2.gz SWPBOAHCJHDGAJ-SNVBAGLBSA-N 2 0 214.309 0.623 20 0 BCADRP C[NH2+]CCC[NH2+][C@](C)(COC)CC(=O)OC ZINC000420367556 192225154 /nfs/dbraw/zinc/22/51/54/192225154.db2.gz GZIKWVPLEASWMJ-NSHDSACASA-N 2 0 232.324 0.154 20 0 BCADRP C[C@@H]([NH3+])CN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420393584 192236204 /nfs/dbraw/zinc/23/62/04/192236204.db2.gz XVWFGZWQDDKSLH-SUZMYJTESA-N 2 0 237.322 0.899 20 0 BCADRP C[C@H]([NH3+])CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420396094 192236629 /nfs/dbraw/zinc/23/66/29/192236629.db2.gz LRCGAMBZERSXOG-TUAOUCFPSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@H]([NH3+])CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420396091 192236838 /nfs/dbraw/zinc/23/68/38/192236838.db2.gz LRCGAMBZERSXOG-QJPTWQEYSA-N 2 0 211.353 0.798 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CCC1 ZINC000336147220 134102626 /nfs/dbraw/zinc/10/26/26/134102626.db2.gz BJWACEOAAPNPLI-ZWNOBZJWSA-N 2 0 237.347 0.374 20 0 BCADRP C[N@@H+]1CC[C@H](NCC[NH3+])[C@H]1c1ccccc1 ZINC000420408706 192239428 /nfs/dbraw/zinc/23/94/28/192239428.db2.gz PSJHXUWBUSXPBR-QWHCGFSZSA-N 2 0 219.332 0.980 20 0 BCADRP CO[C@@]1(C[NH2+]CC2CC[NH+](C)CC2)CCOC1 ZINC000160136734 356424082 /nfs/dbraw/zinc/42/40/82/356424082.db2.gz KVXUDFYUQHMGBT-CYBMUJFWSA-N 2 0 242.363 0.723 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420418594 192241392 /nfs/dbraw/zinc/24/13/92/192241392.db2.gz XAHWVMOAWHTMNA-GHMZBOCLSA-N 2 0 228.336 0.856 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000019412422 356483007 /nfs/dbraw/zinc/48/30/07/356483007.db2.gz VDKMULDBZGUXMP-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000019409109 356483143 /nfs/dbraw/zinc/48/31/43/356483143.db2.gz NJOWXDVSRBOVSK-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](C)[NH3+] ZINC000019422954 356483515 /nfs/dbraw/zinc/48/35/15/356483515.db2.gz YDXVGWGFLSXDFX-GHMZBOCLSA-N 2 0 229.368 0.960 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@H]([NH3+])C(C)C ZINC000019428902 356483622 /nfs/dbraw/zinc/48/36/22/356483622.db2.gz XLJMMHPVGNRSAV-NSHDSACASA-N 2 0 229.368 0.818 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCCn1ccnc1 ZINC000020506370 356489512 /nfs/dbraw/zinc/48/95/12/356489512.db2.gz ZKWZUNLTPNTPQL-MNOVXSKESA-N 2 0 238.335 0.763 20 0 BCADRP NC(=O)[C@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000250824119 181279713 /nfs/dbraw/zinc/27/97/13/181279713.db2.gz GWGBYWACNLWZSG-VXGBXAGGSA-N 2 0 239.363 0.716 20 0 BCADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(=O)NC)C1 ZINC000420968352 192285117 /nfs/dbraw/zinc/28/51/17/192285117.db2.gz BPKSLYAABSPQJI-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CCCC[NH3+] ZINC000578121737 366279209 /nfs/dbraw/zinc/27/92/09/366279209.db2.gz KAXVSHDMLVWSFA-GFCCVEGCSA-N 2 0 229.368 0.995 20 0 BCADRP C[NH2+]CCN(C)C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000578131375 366291720 /nfs/dbraw/zinc/29/17/20/366291720.db2.gz WQTMEPMGGLJYER-JTQLQIEISA-N 2 0 235.331 0.998 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000578130784 366291755 /nfs/dbraw/zinc/29/17/55/366291755.db2.gz DGKDKUPHFODYIO-NXEZZACHSA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000578130484 366291905 /nfs/dbraw/zinc/29/19/05/366291905.db2.gz MVFTVTHGMVRHNQ-GMTAPVOTSA-N 2 0 225.336 0.180 20 0 BCADRP CN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)[C@@H](C[NH3+])C1CC1 ZINC000578131583 366286005 /nfs/dbraw/zinc/28/60/05/366286005.db2.gz IQXXSQPDRVEASY-GVXVVHGQSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000578132911 366295285 /nfs/dbraw/zinc/29/52/85/366295285.db2.gz FSASBSPULWJEGN-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000578132909 366295302 /nfs/dbraw/zinc/29/53/02/366295302.db2.gz FSASBSPULWJEGN-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP Cn1cncc1CC[N@H+](C)C(C)(C)C(N)=O ZINC000639659245 356567002 /nfs/dbraw/zinc/56/70/02/356567002.db2.gz IQBBTDBQNCLYRG-UHFFFAOYSA-N 2 0 224.308 0.158 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)N2CC[NH2+][C@@H](C)C2)C[NH2+]1 ZINC000627207760 363503042 /nfs/dbraw/zinc/50/30/42/363503042.db2.gz TVFRCTVDVYIPDG-VWYCJHECSA-N 2 0 240.351 0.130 20 0 BCADRP CC[C@H]([NH2+]C[C@H](C)CO)[C@@H]1CCC[NH2+]1 ZINC000422978562 192514145 /nfs/dbraw/zinc/51/41/45/192514145.db2.gz ZPNBSJVWEZLUGV-DCAQKATOSA-N 2 0 200.326 0.735 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627207008 363503289 /nfs/dbraw/zinc/50/32/89/363503289.db2.gz NEMQEURTQHGTGG-IVZWLZJFSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CCn2cncc2C1)[NH+](C)C ZINC000623307396 356610745 /nfs/dbraw/zinc/61/07/45/356610745.db2.gz FZIJKPLWQYZDPE-VHSXEESVSA-N 2 0 236.319 0.264 20 0 BCADRP CC[NH+](CC)CCCN1CC[NH+](C)CC1 ZINC000041227188 358507229 /nfs/dbraw/zinc/50/72/29/358507229.db2.gz WVCUAOMFTNIJBF-UHFFFAOYSA-N 2 0 213.369 0.966 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000433175594 192561292 /nfs/dbraw/zinc/56/12/92/192561292.db2.gz MJIDXNUKEMGGDY-VXGBXAGGSA-N 2 0 239.363 0.570 20 0 BCADRP CNC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755140 356658243 /nfs/dbraw/zinc/65/82/43/356658243.db2.gz GUGDHEXWJXCYHL-UHFFFAOYSA-N 2 0 225.336 0.150 20 0 BCADRP CNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000346652673 134153247 /nfs/dbraw/zinc/15/32/47/134153247.db2.gz SNWOXYOXYNIUJT-WDEREUQCSA-N 2 0 241.379 0.688 20 0 BCADRP CC[NH+](CC)CCN(CCOC)C(=O)[C@@H](C)[NH3+] ZINC000167674242 134153551 /nfs/dbraw/zinc/15/35/51/134153551.db2.gz YMIAJCLSDSOOEE-LLVKDONJSA-N 2 0 245.367 0.150 20 0 BCADRP C[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000632881189 356665713 /nfs/dbraw/zinc/66/57/13/356665713.db2.gz ZAKMZEVQADUWKE-UWVGGRQHSA-N 2 0 233.315 0.498 20 0 BCADRP CNC(=O)CC[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000179981262 366345783 /nfs/dbraw/zinc/34/57/83/366345783.db2.gz AUFUILOMOGWXBW-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000578173031 366354934 /nfs/dbraw/zinc/35/49/34/366354934.db2.gz ZBMRMHSBJXEINB-IJLUTSLNSA-N 2 0 239.363 0.762 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000353787269 356718964 /nfs/dbraw/zinc/71/89/64/356718964.db2.gz PUYZUFNTUZCXHY-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000639781390 356730331 /nfs/dbraw/zinc/73/03/31/356730331.db2.gz AXNCCSSEMFQACG-YNEHKIRRSA-N 2 0 242.363 0.288 20 0 BCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)C[NH3+] ZINC000357254085 356820636 /nfs/dbraw/zinc/82/06/36/356820636.db2.gz YQTHLZPKDBWYJU-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[N@@H+]1CCC[C@H]2CN(Cc3cn[nH]n3)CC[C@H]21 ZINC000450498941 202186756 /nfs/dbraw/zinc/18/67/56/202186756.db2.gz HTMONGKVLBWERT-CMPLNLGQSA-N 2 0 235.335 0.721 20 0 BCADRP C[N@@H+]1CCC[C@@H]2CN(Cc3cn[nH]n3)CC[C@H]21 ZINC000450498944 202187568 /nfs/dbraw/zinc/18/75/68/202187568.db2.gz HTMONGKVLBWERT-ZYHUDNBSSA-N 2 0 235.335 0.721 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](O)C[C@@]1(C)CO ZINC000639850469 356853190 /nfs/dbraw/zinc/85/31/90/356853190.db2.gz VRTGCOLOWDKMDW-UPJWGTAASA-N 2 0 242.363 0.288 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]([NH3+])C(C)C ZINC000041680068 358512827 /nfs/dbraw/zinc/51/28/27/358512827.db2.gz PJNBBBYNBFLDHM-WDEREUQCSA-N 2 0 229.368 0.816 20 0 BCADRP CC[NH+]1CCC([NH2+]CCNC(=O)C(C)C)CC1 ZINC000020125140 356998476 /nfs/dbraw/zinc/99/84/76/356998476.db2.gz KGCNOTYRYKFGPO-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156113893 538769527 /nfs/dbraw/zinc/76/95/27/538769527.db2.gz KFNZBTPDCRCACF-IJLUTSLNSA-N 2 0 212.337 0.974 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000389615399 357004418 /nfs/dbraw/zinc/00/44/18/357004418.db2.gz GHLLRDLYWAUOMW-DTWKUNHWSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@@]1(CNC(=O)CCC[NH3+])CCC[NH2+]C1 ZINC000390582947 357102282 /nfs/dbraw/zinc/10/22/82/357102282.db2.gz XGSHHJALQKZADU-LLVKDONJSA-N 2 0 213.325 0.231 20 0 BCADRP C[C@H](C[NH2+]CCC(N)=O)N(C)Cc1ccccc1 ZINC000390652582 357109141 /nfs/dbraw/zinc/10/91/41/357109141.db2.gz YTEJRPMHZTVCKU-GFCCVEGCSA-N 2 0 249.358 0.972 20 0 BCADRP C[C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)[C@H](C)[NH3+] ZINC000390648009 357109183 /nfs/dbraw/zinc/10/91/83/357109183.db2.gz OLSZPLZVSOEHMW-KXUCPTDWSA-N 2 0 213.325 0.086 20 0 BCADRP CCOC(=O)CCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000610080245 357067437 /nfs/dbraw/zinc/06/74/37/357067437.db2.gz ICQZWVMYLQPKMN-RYUDHWBXSA-N 2 0 240.347 0.871 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](C)C[NH3+] ZINC000389942454 357070451 /nfs/dbraw/zinc/07/04/51/357070451.db2.gz PFIZNFTVLGIJMH-HLTSFMKQSA-N 2 0 201.314 0.071 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000390406367 357097886 /nfs/dbraw/zinc/09/78/86/357097886.db2.gz BNMYPXDTMWHSKE-BBBLOLIVSA-N 2 0 213.325 0.357 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)C[C@H]1CCCOC1 ZINC000582425715 357146159 /nfs/dbraw/zinc/14/61/59/357146159.db2.gz KMUJICHECVJQGG-VXGBXAGGSA-N 2 0 230.352 0.315 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC2=[NH+]CCCN2)C1 ZINC000582431321 357147285 /nfs/dbraw/zinc/14/72/85/357147285.db2.gz AAPSTPIETPOSGU-SNVBAGLBSA-N 2 0 210.325 0.267 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000392827707 357239858 /nfs/dbraw/zinc/23/98/58/357239858.db2.gz YKDYDIRRAHXDPJ-RYUDHWBXSA-N 2 0 239.363 0.738 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000393808217 357301077 /nfs/dbraw/zinc/30/10/77/357301077.db2.gz ROGOEDCXUPZOQJ-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)NCCN1CC=CCC1 ZINC000392882625 357261018 /nfs/dbraw/zinc/26/10/18/357261018.db2.gz OHPBHJMKCUNBSI-VIFPVBQESA-N 2 0 247.289 0.347 20 0 BCADRP C[C@H](C(=O)NCCC[NH+](C)C)[NH+]1CC(C)C1 ZINC000582613903 357353699 /nfs/dbraw/zinc/35/36/99/357353699.db2.gz IMIHALWKUPJKEN-LLVKDONJSA-N 2 0 227.352 0.395 20 0 BCADRP Nc1cccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000582846496 357414948 /nfs/dbraw/zinc/41/49/48/357414948.db2.gz QPCOSORCDOLZFG-CYBMUJFWSA-N 2 0 235.331 0.818 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)CC[NH2+]C2CC2)CC[NH2+]1 ZINC000582857026 357421598 /nfs/dbraw/zinc/42/15/98/357421598.db2.gz WTFYMGSEALEUFQ-ONGXEEELSA-N 2 0 225.336 0.385 20 0 BCADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C)[NH2+]C ZINC000582856341 357421664 /nfs/dbraw/zinc/42/16/64/357421664.db2.gz NWXSNRFIODNJSM-WDEREUQCSA-N 2 0 245.367 0.067 20 0 BCADRP CN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000582904074 357427194 /nfs/dbraw/zinc/42/71/94/357427194.db2.gz YEAJRIOUJKBYMU-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+]C[C@@H](NC(=O)CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000582903585 357427468 /nfs/dbraw/zinc/42/74/68/357427468.db2.gz AFYTUCFFUKJAAB-MWLCHTKSSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000582905904 357428143 /nfs/dbraw/zinc/42/81/43/357428143.db2.gz BZCXEAZNJAOGID-LPEHRKFASA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+]CCC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000381566615 357507227 /nfs/dbraw/zinc/50/72/27/357507227.db2.gz SWXWRUGMTHPBLC-MGCOHNPYSA-N 2 0 213.325 0.217 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000582965576 357445816 /nfs/dbraw/zinc/44/58/16/357445816.db2.gz SRLHJDFSPAJKBR-GWCFXTLKSA-N 2 0 247.342 0.760 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NCC1CC[NH2+]CC1 ZINC000583014299 357460281 /nfs/dbraw/zinc/46/02/81/357460281.db2.gz PFDLYWJAXFKVRX-NSHDSACASA-N 2 0 242.367 0.269 20 0 BCADRP C[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000583041591 357462129 /nfs/dbraw/zinc/46/21/29/357462129.db2.gz LADOKRSHBFNJMZ-JTQLQIEISA-N 2 0 213.325 0.006 20 0 BCADRP C[C@@H]1C[C@@H](C)N(Cc2ncnn2C)C[C@H]1C[NH3+] ZINC000397340865 357512651 /nfs/dbraw/zinc/51/26/51/357512651.db2.gz AVSIDOVHZJHBAN-GMTAPVOTSA-N 2 0 237.351 0.620 20 0 BCADRP [NH3+]Cc1cc(C(=O)NC[C@H]2CCC[NH2+]C2)ccn1 ZINC000583079023 357473634 /nfs/dbraw/zinc/47/36/34/357473634.db2.gz ACEMQLJCGCTNBV-JTQLQIEISA-N 2 0 248.330 0.270 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC1=CC[NH2+]CC1 ZINC000583083457 357474232 /nfs/dbraw/zinc/47/42/32/357474232.db2.gz SGVRCQZZQOJTCJ-ZJUUUORDSA-N 2 0 240.351 0.331 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC1=CC[NH2+]CC1 ZINC000583083454 357474394 /nfs/dbraw/zinc/47/43/94/357474394.db2.gz SGVRCQZZQOJTCJ-NXEZZACHSA-N 2 0 240.351 0.331 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)co1 ZINC000583084007 357474610 /nfs/dbraw/zinc/47/46/10/357474610.db2.gz QSCHDECQLJYQSB-SCZZXKLOSA-N 2 0 237.303 0.596 20 0 BCADRP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000583084339 357475011 /nfs/dbraw/zinc/47/50/11/357475011.db2.gz OZHXXXKLLFUEFD-SDDRHHMPSA-N 3 0 209.337 0.137 20 0 BCADRP C[C@H](c1ccccn1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397028458 357489630 /nfs/dbraw/zinc/48/96/30/357489630.db2.gz NWTPDRDSOGMGCG-LLVKDONJSA-N 2 0 235.331 0.928 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC([NH3+])CC1 ZINC000583141444 357492651 /nfs/dbraw/zinc/49/26/51/357492651.db2.gz BWCXPWUVRBGASH-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188686325 357571949 /nfs/dbraw/zinc/57/19/49/357571949.db2.gz HPSJVEXDFIFAOO-VHSXEESVSA-N 2 0 231.315 0.144 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H]1CCCC[NH2+]1 ZINC000230711017 357572873 /nfs/dbraw/zinc/57/28/73/357572873.db2.gz YGWLNYYTXMNRBJ-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]([NH3+])C(C)C ZINC000230712026 357573466 /nfs/dbraw/zinc/57/34/66/357573466.db2.gz IJFFYDQSNJKLFT-NSHDSACASA-N 2 0 229.368 0.770 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000230712065 357574086 /nfs/dbraw/zinc/57/40/86/357574086.db2.gz JIBQYCVBIUTFMO-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000583198126 357517178 /nfs/dbraw/zinc/51/71/78/357517178.db2.gz HMJOFDOYSWLAOJ-VNUKXSOBSA-N 2 0 245.370 0.752 20 0 BCADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000583198127 357517214 /nfs/dbraw/zinc/51/72/14/357517214.db2.gz HMJOFDOYSWLAOJ-XKNKYKOPSA-N 2 0 245.370 0.752 20 0 BCADRP CCCCNC(=O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166293 357551135 /nfs/dbraw/zinc/55/11/35/357551135.db2.gz SLPRLHSCXAWIGS-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188726945 357565830 /nfs/dbraw/zinc/56/58/30/357565830.db2.gz ZKOCBNMMTUKKDH-OUAUKWLOSA-N 2 0 243.326 0.144 20 0 BCADRP C[NH+](C)CCOCC[NH2+]C[C@H]1CCCOC1 ZINC000231676248 357619496 /nfs/dbraw/zinc/61/94/96/357619496.db2.gz KCJONKWLFOXBBN-GFCCVEGCSA-N 2 0 230.352 0.581 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN(C)C2CC2)CS1 ZINC000397709616 357648173 /nfs/dbraw/zinc/64/81/73/357648173.db2.gz BTIBEWUQCNQDFT-FOGDFJRCSA-N 2 0 244.404 0.925 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)C ZINC000063466449 357659647 /nfs/dbraw/zinc/65/96/47/357659647.db2.gz NEIUSYBVYHLWGQ-JTQLQIEISA-N 2 0 215.341 0.393 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCCOCC[NH+](C)C ZINC000233315412 357711946 /nfs/dbraw/zinc/71/19/46/357711946.db2.gz IYCLHQXBHDAGOK-GFCCVEGCSA-N 2 0 245.367 0.198 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H](C)C[NH2+]C ZINC000086064933 357808536 /nfs/dbraw/zinc/80/85/36/357808536.db2.gz BQIVLRQDBZXFQR-LLVKDONJSA-N 2 0 229.368 0.690 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000086064872 357808800 /nfs/dbraw/zinc/80/88/00/357808800.db2.gz HLORIGKXXJLWDE-JTQLQIEISA-N 2 0 227.352 0.395 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000086070274 357818178 /nfs/dbraw/zinc/81/81/78/357818178.db2.gz NFRFNQJPOZEVNJ-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP Cc1c[nH+]ccc1N1CC[N@H+](CCO)[C@H](C)C1 ZINC000192803906 357855926 /nfs/dbraw/zinc/85/59/26/357855926.db2.gz VCKSDFUPKOZMPV-GFCCVEGCSA-N 2 0 235.331 0.893 20 0 BCADRP COCCCN(C)CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000192603193 357846287 /nfs/dbraw/zinc/84/62/87/357846287.db2.gz HAWHVUVASOZZGF-STQMWFEESA-N 2 0 244.379 0.969 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168558082 134226489 /nfs/dbraw/zinc/22/64/89/134226489.db2.gz PHDPTLVYRZWAPU-ZJUUUORDSA-N 2 0 214.309 0.609 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2(C)C[NH2+]C2)C1 ZINC000399307531 357902342 /nfs/dbraw/zinc/90/23/42/357902342.db2.gz ZVXNQLRDGCYVHI-NSHDSACASA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]Cc1ccccc1NC(=O)[C@@H](C)C[NH3+] ZINC000583747372 357932619 /nfs/dbraw/zinc/93/26/19/357932619.db2.gz IVONTRAAAJWADM-VIFPVBQESA-N 2 0 221.304 0.939 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000583751687 357933951 /nfs/dbraw/zinc/93/39/51/357933951.db2.gz QWGVSHKCJZFRMV-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000583752245 357934093 /nfs/dbraw/zinc/93/40/93/357934093.db2.gz YOSDKCQMRJOORR-ZETCQYMHSA-N 2 0 241.257 0.382 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000583751464 357934305 /nfs/dbraw/zinc/93/43/05/357934305.db2.gz YBRZSGRTLXEFNF-GMXVVIOVSA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+][C@H](CC(=O)NC1CC[NH2+]CC1)c1ccccc1 ZINC000584468544 357987270 /nfs/dbraw/zinc/98/72/70/357987270.db2.gz XAYCVELCCQXTSJ-CYBMUJFWSA-N 2 0 247.342 0.945 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H](C)[NH2+]C ZINC000220010613 358024611 /nfs/dbraw/zinc/02/46/11/358024611.db2.gz HGLDKOLJBPSJOQ-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP C[C@@H](NC(=O)[C@H]([NH3+])c1ccccc1)[C@H](C)[NH3+] ZINC000584529222 358041925 /nfs/dbraw/zinc/04/19/25/358041925.db2.gz VWCAOPHUWBBAAQ-IQJOONFLSA-N 2 0 221.304 0.538 20 0 BCADRP C[C@@H](NC(=O)[C@@H]([NH3+])c1ccccc1)[C@H](C)[NH3+] ZINC000584529223 358042131 /nfs/dbraw/zinc/04/21/31/358042131.db2.gz VWCAOPHUWBBAAQ-NGZCFLSTSA-N 2 0 221.304 0.538 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000584524326 358038854 /nfs/dbraw/zinc/03/88/54/358038854.db2.gz MSXZJWLPKXXJBX-MNOVXSKESA-N 2 0 223.320 0.091 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH2+]C1CC1 ZINC000037476898 358071268 /nfs/dbraw/zinc/07/12/68/358071268.db2.gz XMQGNXAFUIUCBG-NSHDSACASA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000169240345 134250004 /nfs/dbraw/zinc/25/00/04/134250004.db2.gz YJXOSNHSJGBXNI-RYUDHWBXSA-N 2 0 239.363 0.811 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000037643511 358084536 /nfs/dbraw/zinc/08/45/36/358084536.db2.gz CYFGOKGRGHEJEJ-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)CC[NH2+]C(C)C)C1 ZINC000037643486 358084970 /nfs/dbraw/zinc/08/49/70/358084970.db2.gz YADWAXDIUCYABZ-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217810398 134250714 /nfs/dbraw/zinc/25/07/14/134250714.db2.gz MBDZZULCUKOODP-DCAQKATOSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000170786946 134254131 /nfs/dbraw/zinc/25/41/31/134254131.db2.gz IWADRCPCQVXXHI-SECBINFHSA-N 2 0 211.309 0.208 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000221616757 358101300 /nfs/dbraw/zinc/10/13/00/358101300.db2.gz IQUCCLUFMPQDTR-MXWKQRLJSA-N 2 0 227.352 0.441 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000584589394 358103292 /nfs/dbraw/zinc/10/32/92/358103292.db2.gz OZIKXNINCXGXHA-MWLCHTKSSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000584720752 358162226 /nfs/dbraw/zinc/16/22/26/358162226.db2.gz RHJSGVXMQBDTKU-DLOVCJGASA-N 2 0 237.347 0.337 20 0 BCADRP C[C@@H](C[NH3+])C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000584833604 358196253 /nfs/dbraw/zinc/19/62/53/358196253.db2.gz FZHDNDPKILWOJS-WCBMZHEXSA-N 2 0 248.330 0.431 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@H+](CCCOC)C1 ZINC000040601617 358243315 /nfs/dbraw/zinc/24/33/15/358243315.db2.gz QSLHTWOJBKYTIH-LLVKDONJSA-N 2 0 200.326 0.954 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)CCC[NH3+])C1 ZINC000040624353 358244008 /nfs/dbraw/zinc/24/40/08/358244008.db2.gz LGTDYAXNNGUPSE-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH3+])C1 ZINC000040624384 358244563 /nfs/dbraw/zinc/24/45/63/358244563.db2.gz AGWAACZGTXWJKZ-NXEZZACHSA-N 2 0 213.325 0.180 20 0 BCADRP [NH3+]CCCCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000040832460 358246593 /nfs/dbraw/zinc/24/65/93/358246593.db2.gz VIRHGJORFPIMSA-NSHDSACASA-N 2 0 221.304 0.542 20 0 BCADRP [NH3+]CC1(CCNC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000653216235 491128301 /nfs/dbraw/zinc/12/83/01/491128301.db2.gz UIVLCJBAIBSEME-SNVBAGLBSA-N 2 0 225.336 0.374 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)CCC[NH2+]C ZINC000041680309 358334160 /nfs/dbraw/zinc/33/41/60/358334160.db2.gz IDHQMMYUAPUVDC-UHFFFAOYSA-N 2 0 229.368 0.786 20 0 BCADRP Cc1c(C[NH2+]CC2CC[NH2+]CC2)cnn1C ZINC000226304098 358337743 /nfs/dbraw/zinc/33/77/43/358337743.db2.gz ZRBWPOCYSUQPQJ-UHFFFAOYSA-N 2 0 222.336 0.818 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000655447741 491129161 /nfs/dbraw/zinc/12/91/61/491129161.db2.gz DZHNXYPKWMTPKJ-RYUDHWBXSA-N 2 0 241.379 0.688 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000655447740 491129165 /nfs/dbraw/zinc/12/91/65/491129165.db2.gz DZHNXYPKWMTPKJ-NWDGAFQWSA-N 2 0 241.379 0.688 20 0 BCADRP CC(C)OC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226875015 358346646 /nfs/dbraw/zinc/34/66/46/358346646.db2.gz XBRAAYKMEQSXBP-YNEHKIRRSA-N 2 0 244.379 0.845 20 0 BCADRP C(C[N@@H+]1CCO[C@@H]2CCC[C@@H]21)N1CC[NH2+]CC1 ZINC000043427993 358375522 /nfs/dbraw/zinc/37/55/22/358375522.db2.gz PFQVVSKRPSYPQJ-QWHCGFSZSA-N 2 0 239.363 0.145 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)NCCCC[NH3+] ZINC000228502006 358377348 /nfs/dbraw/zinc/37/73/48/358377348.db2.gz ALPWLSOCBRTPBL-UHFFFAOYSA-N 2 0 249.358 0.917 20 0 BCADRP COC(C)(C)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000230413858 491130032 /nfs/dbraw/zinc/13/00/32/491130032.db2.gz GWRLKMFSOJKJHF-GHMZBOCLSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@@H](CNC(=O)CCCC[NH3+])[N@H+](C)C1CC1 ZINC000227833475 358364705 /nfs/dbraw/zinc/36/47/05/358364705.db2.gz WAHBLHKTCXVMTN-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000230711438 358410416 /nfs/dbraw/zinc/41/04/16/358410416.db2.gz DTPBNZFEANKXPE-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000229971634 358387834 /nfs/dbraw/zinc/38/78/34/358387834.db2.gz AEJGRXDNDKEYAB-GMTAPVOTSA-N 2 0 200.326 0.863 20 0 BCADRP CC(C)[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000229971648 358388278 /nfs/dbraw/zinc/38/82/78/358388278.db2.gz AEJGRXDNDKEYAB-OUAUKWLOSA-N 2 0 200.326 0.863 20 0 BCADRP COC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514588 358388852 /nfs/dbraw/zinc/38/88/52/358388852.db2.gz KYSFGAWGMLITPK-QMMMGPOBSA-N 2 0 200.282 0.219 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538969 358390586 /nfs/dbraw/zinc/39/05/86/358390586.db2.gz ORXBUXDQHXYJHM-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726849 358392545 /nfs/dbraw/zinc/39/25/45/358392545.db2.gz JDWJJYVBOWIYMG-LLVKDONJSA-N 2 0 239.363 0.727 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH2+][C@@H]1C)C1CC1 ZINC000230191435 358396410 /nfs/dbraw/zinc/39/64/10/358396410.db2.gz IZGICFNSEFDINJ-PWSUYJOCSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(N)=O ZINC000230382135 358397562 /nfs/dbraw/zinc/39/75/62/358397562.db2.gz OZDGVPANFKEEGR-BDAKNGLRSA-N 2 0 213.325 0.357 20 0 BCADRP CO[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CC[C@@H]1C ZINC000230312651 358397592 /nfs/dbraw/zinc/39/75/92/358397592.db2.gz CYVDYUQFNDELQS-QWHCGFSZSA-N 2 0 241.379 0.248 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC000229357914 358403114 /nfs/dbraw/zinc/40/31/14/358403114.db2.gz CZAAUHZRNBKFRF-GHMZBOCLSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCN2CCSCC2)C1 ZINC000230931762 358412414 /nfs/dbraw/zinc/41/24/14/358412414.db2.gz GSFYNXLOQXYGMN-RYUDHWBXSA-N 2 0 243.420 0.895 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000230948487 358412822 /nfs/dbraw/zinc/41/28/22/358412822.db2.gz BIHCHFYVRFRIFT-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CC(C)(C)O1 ZINC000045693855 358415927 /nfs/dbraw/zinc/41/59/27/358415927.db2.gz OZNJUVRWEIYGGU-LBPRGKRZSA-N 2 0 241.379 0.391 20 0 BCADRP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCOC1 ZINC000219316958 134281357 /nfs/dbraw/zinc/28/13/57/134281357.db2.gz HOSRBAFHSCJIJY-NWDGAFQWSA-N 2 0 230.352 0.579 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000131840655 491133567 /nfs/dbraw/zinc/13/35/67/491133567.db2.gz WRALAZSKOHDOGP-GFCCVEGCSA-N 2 0 241.379 0.880 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NCCCC[NH+](C)C ZINC000045708575 358565104 /nfs/dbraw/zinc/56/51/04/358565104.db2.gz MZXSSIXCJAFJKT-NSHDSACASA-N 2 0 229.368 0.675 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC1([NH+](C)C)CCCC1 ZINC000132430562 491135998 /nfs/dbraw/zinc/13/59/98/491135998.db2.gz LGEQODDFFNWHEU-UHFFFAOYSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)[NH3+] ZINC000167196228 358653006 /nfs/dbraw/zinc/65/30/06/358653006.db2.gz MBTIKOZIVUQAAG-RKDXNWHRSA-N 2 0 201.314 0.180 20 0 BCADRP CC(C)[C@H](C(=O)NCC[NH+](C)C)[NH+](C)C ZINC000131127063 358661499 /nfs/dbraw/zinc/66/14/99/358661499.db2.gz YWLBPXBDIMAFHZ-SNVBAGLBSA-N 2 0 215.341 0.250 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000158461322 358673584 /nfs/dbraw/zinc/67/35/84/358673584.db2.gz RNZGXDHMGUGMJS-VHSXEESVSA-N 2 0 211.309 0.078 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000131701793 358691118 /nfs/dbraw/zinc/69/11/18/358691118.db2.gz ZANJQMDDQWQAAH-IXMYILBSSA-N 2 0 225.336 0.369 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C[C@H](C)[NH3+] ZINC000049559748 358692824 /nfs/dbraw/zinc/69/28/24/358692824.db2.gz IIIOAMZUOLOLBP-DTWKUNHWSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000049559607 358694386 /nfs/dbraw/zinc/69/43/86/358694386.db2.gz ZQIXKEROJHNMTD-VHSXEESVSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000049559608 358694585 /nfs/dbraw/zinc/69/45/85/358694585.db2.gz ZQIXKEROJHNMTD-NXEZZACHSA-N 2 0 229.368 0.816 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000131865748 358697594 /nfs/dbraw/zinc/69/75/94/358697594.db2.gz DUWAALGEJPNNQT-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000131935419 358701374 /nfs/dbraw/zinc/70/13/74/358701374.db2.gz RTVNXHIZUOKOIN-AMUVOQDHSA-N 2 0 229.299 0.074 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000131927415 358701708 /nfs/dbraw/zinc/70/17/08/358701708.db2.gz MBWJBAPSNKRKRH-AXFHLTTASA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)CC(=O)NC1CC1 ZINC000133294173 358749808 /nfs/dbraw/zinc/74/98/08/358749808.db2.gz CNNWZZJCUZZSJM-LLVKDONJSA-N 2 0 227.352 0.570 20 0 BCADRP CCCC[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(N)=O ZINC000051919344 358767518 /nfs/dbraw/zinc/76/75/18/358767518.db2.gz LWRRLTXNGFYKQW-LBPRGKRZSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)CCCC[NH3+])[C@H]1C ZINC000309456057 358708440 /nfs/dbraw/zinc/70/84/40/358708440.db2.gz NSNFBNFADZMLJX-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CC[NH+]1CCC([NH2+]CC[C@H](O)COC)CC1 ZINC000132349115 358719321 /nfs/dbraw/zinc/71/93/21/358719321.db2.gz ZHAGAVUOKKBEQX-LBPRGKRZSA-N 2 0 230.352 0.458 20 0 BCADRP [NH3+]CC1(C(=O)N2CCC[NH2+]CC2)CCCC1 ZINC000132603165 358730848 /nfs/dbraw/zinc/73/08/48/358730848.db2.gz WIMGPVXIMADSDS-UHFFFAOYSA-N 2 0 225.336 0.327 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132875291 358737890 /nfs/dbraw/zinc/73/78/90/358737890.db2.gz IAZHUFAFLOFHEJ-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000578236437 366459995 /nfs/dbraw/zinc/45/99/95/366459995.db2.gz RKCGOHUEWQBXTE-QWRGUYRKSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000134210465 358784053 /nfs/dbraw/zinc/78/40/53/358784053.db2.gz ZIQKGDIELGLKJJ-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCOCCO ZINC000134725154 358804283 /nfs/dbraw/zinc/80/42/83/358804283.db2.gz HJWWAFUBFJRFOT-NEPJUHHUSA-N 2 0 230.352 0.315 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000578306552 366478267 /nfs/dbraw/zinc/47/82/67/366478267.db2.gz RGDIOSCHGFCDTN-CYBMUJFWSA-N 2 0 249.358 0.754 20 0 BCADRP CC[N@H+](C)CCNC(=O)C(CC)(CC)C[NH3+] ZINC000054128959 358853953 /nfs/dbraw/zinc/85/39/53/358853953.db2.gz WITNOLQGXMYRAC-UHFFFAOYSA-N 2 0 229.368 0.819 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000054129052 358854497 /nfs/dbraw/zinc/85/44/97/358854497.db2.gz RKPAWRZABOQCIA-NSHDSACASA-N 2 0 227.352 0.429 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000137337076 358896206 /nfs/dbraw/zinc/89/62/06/358896206.db2.gz BTLXIDZLHVHXHM-WDEREUQCSA-N 2 0 237.347 0.230 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2COCCO2)C1 ZINC000086403387 358967414 /nfs/dbraw/zinc/96/74/14/358967414.db2.gz DFMHFBDWEYJUOK-GMTAPVOTSA-N 2 0 214.309 0.261 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000059930667 358921008 /nfs/dbraw/zinc/92/10/08/358921008.db2.gz ICJBDDOUTDVTCA-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000059930897 358921486 /nfs/dbraw/zinc/92/14/86/358921486.db2.gz RKMVJNPNUJUNJM-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP C[N@H+](CCOCC[NH3+])CC1CCOCC1 ZINC000086435791 358976632 /nfs/dbraw/zinc/97/66/32/358976632.db2.gz CCRQBPBNOIJRPT-UHFFFAOYSA-N 2 0 216.325 0.320 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NCC[N@H+](C)CCOC ZINC000061380735 358933127 /nfs/dbraw/zinc/93/31/27/358933127.db2.gz SQLUEBVYZUPNIM-LLVKDONJSA-N 2 0 245.367 0.198 20 0 BCADRP CC[C@@H](C(N)=O)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000061679219 358936566 /nfs/dbraw/zinc/93/65/66/358936566.db2.gz NBIJIPXZCXICAE-NSHDSACASA-N 2 0 227.352 0.524 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000309662050 358988957 /nfs/dbraw/zinc/98/89/57/358988957.db2.gz YFPLGOPYURXNFR-NWDGAFQWSA-N 2 0 211.353 0.527 20 0 BCADRP COCC[NH2+]CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423321751 192706305 /nfs/dbraw/zinc/70/63/05/192706305.db2.gz FSRKPAVHISEASH-VXGBXAGGSA-N 2 0 229.368 0.343 20 0 BCADRP CCCNC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246580430 359149167 /nfs/dbraw/zinc/14/91/67/359149167.db2.gz FJZTYWDGWOZZCJ-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1CC[NH2+]C1 ZINC000247116960 359214551 /nfs/dbraw/zinc/21/45/51/359214551.db2.gz MCJCGWBCLXSAQF-YATPEIPISA-N 2 0 237.347 0.385 20 0 BCADRP C[C@H](NC[C@H]1[NH2+]CCCC1(C)C)C1C[NH2+]C1 ZINC000423390455 192762387 /nfs/dbraw/zinc/76/23/87/192762387.db2.gz OKKBTOUVZXWHBT-CMPLNLGQSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)[C@H](C)C[NH3+] ZINC000572282491 359348147 /nfs/dbraw/zinc/34/81/47/359348147.db2.gz DFYJXZZLBQACSG-DJLDLDEBSA-N 2 0 216.329 0.101 20 0 BCADRP C[C@@H](NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCCC[NH2+]1 ZINC000423494646 192794373 /nfs/dbraw/zinc/79/43/73/192794373.db2.gz SMUZLIZSLCUSPQ-FRRDWIJNSA-N 2 0 241.379 0.485 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CC1(C[NH3+])CC1 ZINC000423510215 192797939 /nfs/dbraw/zinc/79/79/39/192797939.db2.gz MHVKACRIYOVONF-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCCC[NH2+]C1CC1 ZINC000574990064 359526489 /nfs/dbraw/zinc/52/64/89/359526489.db2.gz DKUYGLURBMDLHT-SECBINFHSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)C12CCC[NH+]1CCC2 ZINC000423499517 192795054 /nfs/dbraw/zinc/79/50/54/192795054.db2.gz BSOHHMHYBLNRDO-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@@H]1C ZINC000572406369 359490080 /nfs/dbraw/zinc/49/00/80/359490080.db2.gz QRZKJSNZGTXCHX-QCNOEVLYSA-N 2 0 239.363 0.583 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCCOCC[NH+](C)C ZINC000423788890 192836833 /nfs/dbraw/zinc/83/68/33/192836833.db2.gz DRQISNDMDKAMHN-NSHDSACASA-N 2 0 245.367 0.069 20 0 BCADRP CN(C(=O)CC1(C[NH3+])CC1)C1CC([NH3+])C1 ZINC000423706785 192824666 /nfs/dbraw/zinc/82/46/66/192824666.db2.gz NGGXFZQZPQQWMV-UHFFFAOYSA-N 2 0 211.309 0.064 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000424016067 192854180 /nfs/dbraw/zinc/85/41/80/192854180.db2.gz BBPZCYHUJXKXER-YPMHNXCESA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424062370 192858592 /nfs/dbraw/zinc/85/85/92/192858592.db2.gz VFQOINKQPBSETO-DOLQZWNJSA-N 2 0 211.309 0.062 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000424078324 192860734 /nfs/dbraw/zinc/86/07/34/192860734.db2.gz QLBDXJMNKDRWKK-JBLDHEPKSA-N 2 0 247.342 0.886 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]C ZINC000578442126 366569420 /nfs/dbraw/zinc/56/94/20/366569420.db2.gz YZTNCGWGKMDFLJ-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP C1[NH2+]CC1N[C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000578497279 366578897 /nfs/dbraw/zinc/57/88/97/366578897.db2.gz QSFVPUVYKDLUJJ-UPJWGTAASA-N 2 0 223.364 0.859 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1CCCCC[NH2+]1 ZINC000087471649 366581566 /nfs/dbraw/zinc/58/15/66/366581566.db2.gz PSDJKWSAHBEVOP-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP [NH3+]CC1(NC(=O)CC[C@@H]2CC[NH2+]C2)CCCC1 ZINC000578533616 366593136 /nfs/dbraw/zinc/59/31/36/366593136.db2.gz YKBZUDGKTRKUQX-LLVKDONJSA-N 2 0 239.363 0.764 20 0 BCADRP CN(C)C(=O)CC[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000578532201 366593266 /nfs/dbraw/zinc/59/32/66/366593266.db2.gz FWGDAHJYGYHMCU-LLVKDONJSA-N 2 0 213.325 0.054 20 0 BCADRP CC(C)(C[NH3+])C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000578639427 366615570 /nfs/dbraw/zinc/61/55/70/366615570.db2.gz OUTYCLNHHJMPMV-ZJUUUORDSA-N 2 0 227.352 0.605 20 0 BCADRP C[NH2+]CCCN(C)C(=O)CCCC[NH3+] ZINC000087471802 366597394 /nfs/dbraw/zinc/59/73/94/366597394.db2.gz AOPDGMZYVIEJMM-UHFFFAOYSA-N 2 0 201.314 0.183 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCC[N@H+](C)C1 ZINC000578617009 366608868 /nfs/dbraw/zinc/60/88/68/366608868.db2.gz HYOOUIUCQDUYOS-AGIUHOORSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000088091207 359936984 /nfs/dbraw/zinc/93/69/84/359936984.db2.gz ZCHJCGYUQQDBTN-HBNTYKKESA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000088091208 359937531 /nfs/dbraw/zinc/93/75/31/359937531.db2.gz ZCHJCGYUQQDBTN-AXFHLTTASA-N 2 0 225.336 0.276 20 0 BCADRP [NH3+]C1(C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000088130984 359938442 /nfs/dbraw/zinc/93/84/42/359938442.db2.gz QAYKCYMBJWIWRL-UHFFFAOYSA-N 2 0 237.347 0.565 20 0 BCADRP [NH3+]CC1(CC(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000578758419 366641219 /nfs/dbraw/zinc/64/12/19/366641219.db2.gz VXYUHYMIZCGUKH-SNVBAGLBSA-N 2 0 225.336 0.231 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000578894267 366669675 /nfs/dbraw/zinc/66/96/75/366669675.db2.gz QGHDKDNMQJQYBT-QXEWZRGKSA-N 2 0 225.336 0.323 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000612872859 360148665 /nfs/dbraw/zinc/14/86/65/360148665.db2.gz WOLRWFKMHJOFGE-PWSUYJOCSA-N 2 0 240.351 0.132 20 0 BCADRP CC[NH+](CC)CCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612866527 360128143 /nfs/dbraw/zinc/12/81/43/360128143.db2.gz VFAGIGNIJHIEQL-LBPRGKRZSA-N 2 0 242.367 0.379 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612875444 360135350 /nfs/dbraw/zinc/13/53/50/360135350.db2.gz FPZKDUYYEGVRSJ-ZYHUDNBSSA-N 2 0 242.367 0.378 20 0 BCADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@]2(O)CCOC2)CC1(C)C ZINC000623472946 360197034 /nfs/dbraw/zinc/19/70/34/360197034.db2.gz CGGIZKBNQPCTOX-DGCLKSJQSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@@]1(NC(=O)NC[C@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000612910931 360174068 /nfs/dbraw/zinc/17/40/68/360174068.db2.gz BMBALNGBXLPFMM-ZYHUDNBSSA-N 2 0 240.351 0.180 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612917098 360176475 /nfs/dbraw/zinc/17/64/75/360176475.db2.gz DYMOPLHZXJHOHA-PWSUYJOCSA-N 2 0 242.367 0.411 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612917673 360177924 /nfs/dbraw/zinc/17/79/24/360177924.db2.gz IELGLNPQFOGYPS-MWLCHTKSSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)N[C@@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000612922058 360182655 /nfs/dbraw/zinc/18/26/55/360182655.db2.gz ATOCZPNBYGVHEQ-SCVCMEIPSA-N 2 0 240.351 0.178 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612913745 360185435 /nfs/dbraw/zinc/18/54/35/360185435.db2.gz DHKBLDKBDZOBMY-GFCCVEGCSA-N 2 0 242.367 0.426 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612986065 360238867 /nfs/dbraw/zinc/23/88/67/360238867.db2.gz IZEWWCVDKOEELM-SNVBAGLBSA-N 2 0 240.351 0.037 20 0 BCADRP CC(C)([NH3+])CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612989487 360239799 /nfs/dbraw/zinc/23/97/99/360239799.db2.gz ZAPAMPAEPHXMTF-VIFPVBQESA-N 2 0 240.351 0.165 20 0 BCADRP CC(C)(C[NH3+])NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612995200 360249052 /nfs/dbraw/zinc/24/90/52/360249052.db2.gz WYNOHBKIRZYCBK-SECBINFHSA-N 2 0 240.351 0.165 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612996562 360249996 /nfs/dbraw/zinc/24/99/96/360249996.db2.gz QNBJPLVOCLEVRS-VHSXEESVSA-N 2 0 240.351 0.036 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309458108 491148604 /nfs/dbraw/zinc/14/86/04/491148604.db2.gz NBTINQHPAKAHMJ-RWMBFGLXSA-N 3 0 223.364 0.622 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000626946080 360529017 /nfs/dbraw/zinc/52/90/17/360529017.db2.gz RDEJQQCQWNXTAH-JTQLQIEISA-N 2 0 228.340 0.071 20 0 BCADRP CCN(CC[NH3+])C(=O)NCCC[NH+](CC)CC ZINC000626919076 360508570 /nfs/dbraw/zinc/50/85/70/360508570.db2.gz YJNFWNAKLPYDSF-UHFFFAOYSA-N 2 0 244.383 0.709 20 0 BCADRP OC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000631197069 360710022 /nfs/dbraw/zinc/71/00/22/360710022.db2.gz FDZIICJRLYUAJT-RVMXOQNASA-N 2 0 224.348 0.974 20 0 BCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH3+])C[C@@H](C)[NH2+]1 ZINC000153595780 360774987 /nfs/dbraw/zinc/77/49/87/360774987.db2.gz DDRXAVSYGVDAKX-RKDXNWHRSA-N 2 0 213.325 0.180 20 0 BCADRP COC(=O)CCCCN1CCC[C@@H]1C[NH3+] ZINC000238327021 360875392 /nfs/dbraw/zinc/87/53/92/360875392.db2.gz GGGKJTVCXJECKV-SNVBAGLBSA-N 2 0 214.309 0.753 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]([NH3+])C1 ZINC000155234787 360860168 /nfs/dbraw/zinc/86/01/68/360860168.db2.gz XGCGMFLQBMKCAB-GUBZILKMSA-N 2 0 213.325 0.310 20 0 BCADRP C(CN1CC[NH2+]CC1)[NH2+][C@H]1CCCSC1 ZINC000414860375 200771977 /nfs/dbraw/zinc/77/19/77/200771977.db2.gz CQCAFMWBJFCSSQ-NSHDSACASA-N 2 0 229.393 0.377 20 0 BCADRP CC(C)([NH3+])CNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418345211 200836137 /nfs/dbraw/zinc/83/61/37/200836137.db2.gz LGYMRZSRWLUGQB-JTQLQIEISA-N 2 0 242.367 0.413 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH2+][C@H]1C ZINC000629407434 361055935 /nfs/dbraw/zinc/05/59/35/361055935.db2.gz ACXDNYALSGTKEW-DJIHRAIXSA-N 2 0 223.364 0.809 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418433328 200841790 /nfs/dbraw/zinc/84/17/90/200841790.db2.gz CZVNJBGURXKMBQ-VHSXEESVSA-N 2 0 230.356 0.396 20 0 BCADRP CC[NH+]1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629398343 361048948 /nfs/dbraw/zinc/04/89/48/361048948.db2.gz RFNVFAONZYRNHH-UHFFFAOYSA-N 3 0 229.368 0.426 20 0 BCADRP CCOC[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629399141 361049517 /nfs/dbraw/zinc/04/95/17/361049517.db2.gz MLCRXFSXPSNCKY-SNVBAGLBSA-N 2 0 204.314 0.366 20 0 BCADRP CCn1nccc1C[NH2+]CCOCCC[NH3+] ZINC000629399666 361050789 /nfs/dbraw/zinc/05/07/89/361050789.db2.gz JUMKXWIHUPAAPW-UHFFFAOYSA-N 2 0 226.324 0.358 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCSC1 ZINC000629401439 361051961 /nfs/dbraw/zinc/05/19/61/361051961.db2.gz AQPBMRCDZDVKRX-SNVBAGLBSA-N 2 0 218.366 0.708 20 0 BCADRP CC(C)n1cc(C[NH2+]CCOCCC[NH3+])cn1 ZINC000629400383 361052117 /nfs/dbraw/zinc/05/21/17/361052117.db2.gz VUIRRBJHGDHVSD-UHFFFAOYSA-N 2 0 240.351 0.919 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CCCOCC1 ZINC000629402761 361053069 /nfs/dbraw/zinc/05/30/69/361053069.db2.gz FANHEWFBCWLNAM-NSHDSACASA-N 2 0 216.325 0.381 20 0 BCADRP C[C@H]1C[C@H](N[C@@H]2CC[NH2+][C@H]2C)C[N@@H+]1C1CC1 ZINC000629408657 361059513 /nfs/dbraw/zinc/05/95/13/361059513.db2.gz YBUHJOWKOKIDAU-MRBYEJRBSA-N 2 0 223.364 0.952 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000578986410 366686935 /nfs/dbraw/zinc/68/69/35/366686935.db2.gz YLZFHONHYHQMEA-SNVBAGLBSA-N 2 0 239.363 0.666 20 0 BCADRP COC[C@@H]([NH2+]CC1([NH3+])CCOCC1)C(C)C ZINC000629521370 361118209 /nfs/dbraw/zinc/11/82/09/361118209.db2.gz NSNYKRVLEDHYHM-LLVKDONJSA-N 2 0 230.352 0.755 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@H]1NCC1([NH3+])CCOCC1 ZINC000629519051 361118958 /nfs/dbraw/zinc/11/89/58/361118958.db2.gz DTWDBJXQEAXOHI-VXGBXAGGSA-N 2 0 241.379 0.744 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424248484 200894257 /nfs/dbraw/zinc/89/42/57/200894257.db2.gz UVFJTWULISQOIA-UKKRHICBSA-N 2 0 225.336 0.500 20 0 BCADRP [NH3+]C1(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000336529763 181324134 /nfs/dbraw/zinc/32/41/34/181324134.db2.gz MTYXSVCUQLHGBP-LLVKDONJSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+][C@H]1CCCN(CCOC2CCOCC2)C1 ZINC000629509015 361102172 /nfs/dbraw/zinc/10/21/72/361102172.db2.gz GZMOCGRTURTLLY-NSHDSACASA-N 2 0 228.336 0.605 20 0 BCADRP CCn1nncc1C[NH2+][C@@H](CCC[NH3+])COC ZINC000629512244 361107481 /nfs/dbraw/zinc/10/74/81/361107481.db2.gz UEGPFJAHUKJTAS-JTQLQIEISA-N 2 0 241.339 0.142 20 0 BCADRP CCO[C@H](CN1CCO[C@@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000629512668 361107860 /nfs/dbraw/zinc/10/78/60/361107860.db2.gz BPJNTWOAZSCDIQ-CYZMBNFOSA-N 2 0 242.363 0.850 20 0 BCADRP COC[C@@H](CCC[NH3+])N[C@H]1CC[NH2+]C12CCC2 ZINC000629516082 361109562 /nfs/dbraw/zinc/10/95/62/361109562.db2.gz WZVOEYIJJUVGSA-NEPJUHHUSA-N 2 0 241.379 0.615 20 0 BCADRP [NH3+]C1(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000334989125 181323690 /nfs/dbraw/zinc/32/36/90/181323690.db2.gz WWEGJTAZAYTALC-NSHDSACASA-N 2 0 223.320 0.080 20 0 BCADRP C[C@](C[NH3+])([NH2+]CCOC1CCOCC1)C1CC1 ZINC000629515580 361113931 /nfs/dbraw/zinc/11/39/31/361113931.db2.gz SWEJBAIHDUMDNK-CYBMUJFWSA-N 2 0 242.363 0.899 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOC1CCOCC1 ZINC000629516544 361114881 /nfs/dbraw/zinc/11/48/81/361114881.db2.gz JUOJRSAUIYVFKN-RYUDHWBXSA-N 2 0 242.363 0.851 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC[C@H]1CCC[N@@H+]1C ZINC000629520882 361116525 /nfs/dbraw/zinc/11/65/25/361116525.db2.gz YQJDENBXVDVLJQ-QJPTWQEYSA-N 2 0 211.353 0.668 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccncc1 ZINC000629530076 361147963 /nfs/dbraw/zinc/14/79/63/361147963.db2.gz UMIWYSAHIUMQKY-NSHDSACASA-N 2 0 223.320 0.968 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000629531424 361148964 /nfs/dbraw/zinc/14/89/64/361148964.db2.gz KRUOTCANAVXHEP-VXGBXAGGSA-N 3 0 229.368 0.200 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629531522 361149101 /nfs/dbraw/zinc/14/91/01/361149101.db2.gz NWZVCWXWLVDHES-JHJVBQTASA-N 3 0 241.379 0.200 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1COCCN1C ZINC000629532565 361152587 /nfs/dbraw/zinc/15/25/87/361152587.db2.gz HCWVWIQRZMTQHC-RYUDHWBXSA-N 2 0 229.368 0.424 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1COCCN1C ZINC000629532659 361154405 /nfs/dbraw/zinc/15/44/05/361154405.db2.gz LFAFHZZEFINATA-UPJWGTAASA-N 2 0 241.379 0.295 20 0 BCADRP [NH3+]C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC000424471955 200929162 /nfs/dbraw/zinc/92/91/62/200929162.db2.gz DQKLMAHXQNOVBW-GMTAPVOTSA-N 2 0 240.351 0.293 20 0 BCADRP O=C(NCC[NH2+]C1CC1)NC[C@@H]1CCCC[NH2+]1 ZINC000634269474 361165470 /nfs/dbraw/zinc/16/54/70/361165470.db2.gz HJAORJHYDHLULL-NSHDSACASA-N 2 0 240.351 0.180 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC000237804778 181327652 /nfs/dbraw/zinc/32/76/52/181327652.db2.gz WKQIUSKIWPXTAS-SNVBAGLBSA-N 2 0 225.336 0.516 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)C1 ZINC000579004345 366689135 /nfs/dbraw/zinc/68/91/35/366689135.db2.gz HPZWQYFORJMXAR-YFKTTZPYSA-N 2 0 228.336 0.386 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)C1 ZINC000579004342 366692500 /nfs/dbraw/zinc/69/25/00/366692500.db2.gz HPZWQYFORJMXAR-KKOKHZNYSA-N 2 0 228.336 0.386 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000579004872 366693317 /nfs/dbraw/zinc/69/33/17/366693317.db2.gz SWOCIGTTZQJVCX-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2C[C@@]2(O)C1 ZINC000640481999 361267808 /nfs/dbraw/zinc/26/78/08/361267808.db2.gz PDEZKKVJBNCWMX-IJLUTSLNSA-N 2 0 210.321 0.537 20 0 BCADRP CCCN(C(=O)[C@@H]([NH3+])CC(F)F)[C@@H]1CC[NH2+]C1 ZINC000579109110 366712197 /nfs/dbraw/zinc/71/21/97/366712197.db2.gz OAASYQSSHQMBAN-BDAKNGLRSA-N 2 0 249.305 0.569 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C[NH2+]C1CC1 ZINC000579107040 366712212 /nfs/dbraw/zinc/71/22/12/366712212.db2.gz AQHIGPCPSQPERB-CABZTGNLSA-N 2 0 237.347 0.337 20 0 BCADRP [NH3+]C[C@H](NC(=O)C1CC[NH2+]CC1)C1CCCC1 ZINC000579121748 366716270 /nfs/dbraw/zinc/71/62/70/366716270.db2.gz LRAFZHKENPERHK-LBPRGKRZSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1CN(C(=O)CC2(C[NH3+])CC2)CC[C@H]1[NH3+] ZINC000579120755 366716593 /nfs/dbraw/zinc/71/65/93/366716593.db2.gz PFADYEYCZWGWOH-NXEZZACHSA-N 2 0 225.336 0.311 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000579124421 366718169 /nfs/dbraw/zinc/71/81/69/366718169.db2.gz RHWOSYLGUFZZML-WCABBAIRSA-N 2 0 213.325 0.213 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCC1 ZINC000147674651 181328398 /nfs/dbraw/zinc/32/83/98/181328398.db2.gz ZECYPNUATXVLCZ-MNOVXSKESA-N 2 0 237.347 0.611 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000428413214 201013390 /nfs/dbraw/zinc/01/33/90/201013390.db2.gz OLXDFAMDUHJNFW-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000622044525 370673040 /nfs/dbraw/zinc/67/30/40/370673040.db2.gz JBYMQHCDJQWYRT-TUAOUCFPSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH3+] ZINC000428482535 201023604 /nfs/dbraw/zinc/02/36/04/201023604.db2.gz OZKVTTIACFUQPU-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP COC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1CCOCC1 ZINC000622044721 370676646 /nfs/dbraw/zinc/67/66/46/370676646.db2.gz QESKQZIKRJSABO-CMPLNLGQSA-N 2 0 230.352 0.755 20 0 BCADRP C[C@H]([NH3+])CC[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000622044480 370677000 /nfs/dbraw/zinc/67/70/00/370677000.db2.gz HPPGHLYDAIBBNI-MVWJERBFSA-N 2 0 227.352 0.080 20 0 BCADRP C[C@H]([NH3+])CC[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000622044479 370677067 /nfs/dbraw/zinc/67/70/67/370677067.db2.gz HPPGHLYDAIBBNI-DLOVCJGASA-N 2 0 227.352 0.080 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC1([NH3+])CCCCCC1 ZINC000428574420 201027686 /nfs/dbraw/zinc/02/76/86/201027686.db2.gz NCAOBZSDNLTHAO-SNVBAGLBSA-N 2 0 227.352 0.892 20 0 BCADRP [NH3+]C1(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000269253301 181329585 /nfs/dbraw/zinc/32/95/85/181329585.db2.gz ILJZVVTXYDDMRB-UHFFFAOYSA-N 2 0 243.270 0.697 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000428904085 201048214 /nfs/dbraw/zinc/04/82/14/201048214.db2.gz YHELKBLMYWQECO-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)NC(C)(C)C[NH3+])CC1 ZINC000428911718 201045757 /nfs/dbraw/zinc/04/57/57/201045757.db2.gz CZHXZONAOJONEB-UHFFFAOYSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000429112247 201068673 /nfs/dbraw/zinc/06/86/73/201068673.db2.gz ILDPTWLGRTYAMZ-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000429156110 201073091 /nfs/dbraw/zinc/07/30/91/201073091.db2.gz DSVIABNYWCJSCU-NWDGAFQWSA-N 2 0 241.379 0.914 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H](C[NH3+])C1)[NH+](CC)CC ZINC000429066300 201065473 /nfs/dbraw/zinc/06/54/73/201065473.db2.gz SRKLGVCIBXFVAE-NWDGAFQWSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000429069029 201066412 /nfs/dbraw/zinc/06/64/12/201066412.db2.gz OURVRJBHQNGTKW-IJLUTSLNSA-N 2 0 239.363 0.666 20 0 BCADRP CC[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000429085197 201066605 /nfs/dbraw/zinc/06/66/05/201066605.db2.gz ZITOYQXAVRHQRX-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000429192626 201077857 /nfs/dbraw/zinc/07/78/57/201077857.db2.gz IBWBPUWLGIMZQP-GHMZBOCLSA-N 2 0 239.363 0.749 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000429393397 201106170 /nfs/dbraw/zinc/10/61/70/201106170.db2.gz KFESKPJJYQUWNH-FOGDFJRCSA-N 2 0 227.352 0.713 20 0 BCADRP C[NH+](C)CCCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000036757236 361396034 /nfs/dbraw/zinc/39/60/34/361396034.db2.gz SMYVEGPIVUKULO-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP CN(C(=O)c1ccnc(C[NH3+])c1)C1(C[NH3+])CCC1 ZINC000579343364 366763047 /nfs/dbraw/zinc/76/30/47/366763047.db2.gz UBSALKLYIURZME-UHFFFAOYSA-N 2 0 248.330 0.494 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@]1(C)CC[NH2+]C1 ZINC000429503620 201112514 /nfs/dbraw/zinc/11/25/14/201112514.db2.gz NBKQMWBSQHCUPL-GFCCVEGCSA-N 2 0 227.352 0.429 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)CC[C@H]1[NH3+] ZINC000579355338 366767746 /nfs/dbraw/zinc/76/77/46/366767746.db2.gz FSASBSPULWJEGN-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629537096 361400022 /nfs/dbraw/zinc/40/00/22/361400022.db2.gz IDZZQGGDDTUFES-FRRDWIJNSA-N 3 0 241.379 0.330 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000429289532 201095963 /nfs/dbraw/zinc/09/59/63/201095963.db2.gz BZEWFNDIAVBHGW-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](NCCOCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000629537477 361401252 /nfs/dbraw/zinc/40/12/52/361401252.db2.gz JMNVULKAWTYSAS-QWRGUYRKSA-N 2 0 215.341 0.082 20 0 BCADRP [NH3+]C1(CNC(=O)CC[NH2+]C2CC2)CCCCC1 ZINC000579376573 366773976 /nfs/dbraw/zinc/77/39/76/366773976.db2.gz XBOIMRKTZPYKNB-UHFFFAOYSA-N 2 0 239.363 0.906 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000429324018 201102262 /nfs/dbraw/zinc/10/22/62/201102262.db2.gz YYJCXJMKNVZBQM-AXFHLTTASA-N 2 0 227.352 0.665 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000629538835 361403422 /nfs/dbraw/zinc/40/34/22/361403422.db2.gz OUIYWKGHCPGBOV-MNOVXSKESA-N 3 0 215.341 0.211 20 0 BCADRP C[C@@H]1CC[C@H](N[C@H]2CCC[C@@H]2C[NH3+])C[NH2+]1 ZINC000629535662 361410177 /nfs/dbraw/zinc/41/01/77/361410177.db2.gz CSIMLFJHGOOOIN-WYUUTHIRSA-N 2 0 211.353 0.844 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429556875 201116627 /nfs/dbraw/zinc/11/66/27/201116627.db2.gz ZEWMPQSUWCNWRK-CHWSQXEVSA-N 2 0 244.379 0.800 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000629543724 361412681 /nfs/dbraw/zinc/41/26/81/361412681.db2.gz ALXBUPFKWQZPSW-IRCOFANPSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])[C@@H](C)O1 ZINC000629540007 361413162 /nfs/dbraw/zinc/41/31/62/361413162.db2.gz RTEUXINAUAISBK-GMTAPVOTSA-N 2 0 216.325 0.507 20 0 BCADRP CC[C@H](C(=O)NCC(C)(C)[NH3+])[NH+](CC)CC ZINC000429660784 201123022 /nfs/dbraw/zinc/12/30/22/201123022.db2.gz OMDOEFKVBSZXDL-SNVBAGLBSA-N 2 0 229.368 0.960 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC(C)(C)[NH3+] ZINC000429651249 201123638 /nfs/dbraw/zinc/12/36/38/201123638.db2.gz RTQDMXIFEDQIMM-NXEZZACHSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H]([NH2+]CCOCCC[NH3+])C1CC[NH+](C)CC1 ZINC000629534596 361407549 /nfs/dbraw/zinc/40/75/49/361407549.db2.gz AYIVVIFXMJIWHI-GFCCVEGCSA-N 3 0 243.395 0.672 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)NC)[C@@H](C)C1 ZINC000429808870 201132677 /nfs/dbraw/zinc/13/26/77/201132677.db2.gz NHHTVXKWICQNAL-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000429554769 201113636 /nfs/dbraw/zinc/11/36/36/201113636.db2.gz CGMVEMKBCXYAJZ-CKYFFXLPSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H](C[C@H]1COCC[NH2+]1)N[C@@H]1CC[NH2+][C@H]1C ZINC000629544302 361422880 /nfs/dbraw/zinc/42/28/80/361422880.db2.gz HNRDWOKEFXZMLG-FIQHERPVSA-N 2 0 227.352 0.093 20 0 BCADRP C[C@@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1CC[NH2+][C@H]1C ZINC000629544305 361423329 /nfs/dbraw/zinc/42/33/29/361423329.db2.gz HNRDWOKEFXZMLG-NNYUYHANSA-N 2 0 227.352 0.093 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)c1ccnc(C[NH3+])c1 ZINC000579471819 366819878 /nfs/dbraw/zinc/81/98/78/366819878.db2.gz AJPIGXMXTAJIMD-LLVKDONJSA-N 2 0 236.319 0.253 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH2+]C1CC1 ZINC000579476213 366822669 /nfs/dbraw/zinc/82/26/69/366822669.db2.gz XCSIQOMGPRPQCP-ONGXEEELSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H](NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000629547396 361430658 /nfs/dbraw/zinc/43/06/58/361430658.db2.gz SLBTZNDENFJXAG-JHJVBQTASA-N 2 0 241.379 0.173 20 0 BCADRP C1C[C@@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C[NH2+]1 ZINC000629553613 361438410 /nfs/dbraw/zinc/43/84/10/361438410.db2.gz BMVSODYCIXCVSY-IRCOFANPSA-N 3 0 209.337 0.326 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOC1CCOCC1 ZINC000629549992 361442515 /nfs/dbraw/zinc/44/25/15/361442515.db2.gz UYKASSIZICPIDO-NEPJUHHUSA-N 2 0 242.363 0.994 20 0 BCADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1NC[C@@H]1CCC[N@@H+]1C ZINC000629551155 361443607 /nfs/dbraw/zinc/44/36/07/361443607.db2.gz RRVPKEYWBUVIMU-RVMXOQNASA-N 2 0 241.379 0.423 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCC[N@@H+]1C ZINC000629551966 361444667 /nfs/dbraw/zinc/44/46/67/361444667.db2.gz YQJDENBXVDVLJQ-SRVKXCTJSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000629541712 361416392 /nfs/dbraw/zinc/41/63/92/361416392.db2.gz UTCUBHWXOAFESL-KXNHARMFSA-N 2 0 211.353 0.857 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000629541304 361416933 /nfs/dbraw/zinc/41/69/33/361416933.db2.gz YHWZGLMFKHTRCY-GHMZBOCLSA-N 3 0 215.341 0.069 20 0 BCADRP C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C[NH2+]1 ZINC000629542012 361417749 /nfs/dbraw/zinc/41/77/49/361417749.db2.gz WRZRIRZSOWQVPQ-KKOKHZNYSA-N 2 0 211.353 0.986 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1C[C@H]1C ZINC000629572400 361463933 /nfs/dbraw/zinc/46/39/33/361463933.db2.gz RTSYVEXJZASIES-MNOVXSKESA-N 2 0 200.326 0.810 20 0 BCADRP C[N@H+](CCCc1ccncc1)CCOCC[NH3+] ZINC000629580476 361466413 /nfs/dbraw/zinc/46/64/13/361466413.db2.gz DEALNCTVPGDVQH-UHFFFAOYSA-N 2 0 237.347 0.921 20 0 BCADRP CC[C@H](C)[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629583464 361467622 /nfs/dbraw/zinc/46/76/22/361467622.db2.gz FRZWTUPZCAOKAH-AVGNSLFASA-N 2 0 244.379 0.440 20 0 BCADRP Cc1cc(CN(C)CCOCC[NH3+])ncn1 ZINC000629581060 361471661 /nfs/dbraw/zinc/47/16/61/361471661.db2.gz LPTSNQXBPMFKFW-UHFFFAOYSA-N 2 0 224.308 0.192 20 0 BCADRP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000629581576 361472153 /nfs/dbraw/zinc/47/21/53/361472153.db2.gz CZQGWTVVRARIQL-TUAOUCFPSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCCC[C@H]1C[NH3+] ZINC000433169230 201162826 /nfs/dbraw/zinc/16/28/26/201162826.db2.gz VUNRRPMYQZRMHE-QWRGUYRKSA-N 2 0 227.352 0.557 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000433179516 201163069 /nfs/dbraw/zinc/16/30/69/201163069.db2.gz YJUYTPCDQPHQHX-AXFHLTTASA-N 2 0 227.352 0.426 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000433172210 201163233 /nfs/dbraw/zinc/16/32/33/201163233.db2.gz GTSDKJXEHZUTIA-VXGBXAGGSA-N 2 0 241.379 0.723 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000433172207 201163346 /nfs/dbraw/zinc/16/33/46/201163346.db2.gz GTSDKJXEHZUTIA-NWDGAFQWSA-N 2 0 241.379 0.723 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000433172920 201164302 /nfs/dbraw/zinc/16/43/02/201164302.db2.gz DTCHHFAMMSEIJK-MXWKQRLJSA-N 2 0 227.352 0.426 20 0 BCADRP O[C@@H](C[NH2+]C[C@@H]1CCC[C@H]1O)C[NH+]1CCCC1 ZINC000629592887 361484737 /nfs/dbraw/zinc/48/47/37/361484737.db2.gz GDOUPAYQYPQPMN-RWMBFGLXSA-N 2 0 242.363 0.194 20 0 BCADRP C[C@H]([NH3+])CN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561833 361456350 /nfs/dbraw/zinc/45/63/50/361456350.db2.gz JTKMLEQSDXOVDR-CIUDSAMLSA-N 2 0 239.285 0.793 20 0 BCADRP C(C[NH+](C1CC1)C1CC1)N1CC[NH2+]CC1 ZINC000629566805 361457302 /nfs/dbraw/zinc/45/73/02/361457302.db2.gz IBKBFAIKOHJUAF-UHFFFAOYSA-N 2 0 209.337 0.518 20 0 BCADRP CC[C@@H](C(=O)N1CCC[C@H](CC[NH3+])C1)[NH+](C)C ZINC000629612368 361498382 /nfs/dbraw/zinc/49/83/82/361498382.db2.gz AZUPNRYEAFHJGL-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP CC[C@@H](C(=O)N[C@H](C)CCC[NH3+])[NH+](C)C ZINC000629612590 361499609 /nfs/dbraw/zinc/49/96/09/361499609.db2.gz DQNYEWCWYQKUHL-ZJUUUORDSA-N 2 0 215.341 0.570 20 0 BCADRP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]C)C1)[NH+](C)C ZINC000629610670 361500275 /nfs/dbraw/zinc/50/02/75/361500275.db2.gz DUNWZHTXGJHJRT-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H](C)C[NH3+])[NH+](C)C ZINC000629611770 361501663 /nfs/dbraw/zinc/50/16/63/361501663.db2.gz FLNFUNUVDSCLKQ-IUCAKERBSA-N 2 0 201.314 0.038 20 0 BCADRP CC[C@H](C(=O)NC[C@H]([NH3+])C1CC1)[NH+](C)C ZINC000629612174 361502243 /nfs/dbraw/zinc/50/22/43/361502243.db2.gz WFYHEFWCSMRHSU-VHSXEESVSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+](C)C ZINC000629611999 361502833 /nfs/dbraw/zinc/50/28/33/361502833.db2.gz OGKTWTFCBIICAP-GMTAPVOTSA-N 2 0 227.352 0.441 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC000629614693 361503551 /nfs/dbraw/zinc/50/35/51/361503551.db2.gz MSEJDUDCYBKZQX-SECBINFHSA-N 2 0 201.314 0.052 20 0 BCADRP CC[C@H](C(=O)NC[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000629614992 361503979 /nfs/dbraw/zinc/50/39/79/361503979.db2.gz RDBYUVBZJQMECD-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000629615918 361504931 /nfs/dbraw/zinc/50/49/31/361504931.db2.gz ZDJPPVDTHSWEMY-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@@H](C(=O)N1CCC([C@@H](C)[NH3+])CC1)[NH+](C)C ZINC000629615589 361505616 /nfs/dbraw/zinc/50/56/16/361505616.db2.gz VVFHDGKHGNMOMG-PWSUYJOCSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@@H](C(=O)N1CCC2(CC[NH2+]2)CC1)[NH+](C)C ZINC000629616336 361506597 /nfs/dbraw/zinc/50/65/97/361506597.db2.gz ZXZGGLDDKYPROE-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)[NH+](C)C ZINC000629613347 361507655 /nfs/dbraw/zinc/50/76/55/361507655.db2.gz OIPXQZXGRDXYKL-JQWIXIFHSA-N 2 0 227.352 0.524 20 0 BCADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]C)C1)[NH+](C)C ZINC000629612337 361497891 /nfs/dbraw/zinc/49/78/91/361497891.db2.gz CSKMZXNTKARYLD-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP CCOC1CC(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000309956857 491158826 /nfs/dbraw/zinc/15/88/26/491158826.db2.gz IREBULJTTNPAII-UNTZMWQOSA-N 2 0 224.348 0.953 20 0 BCADRP C1=C(C[NH2+]CCCN2CC[NH2+]CC2)COCC1 ZINC000629655153 361560630 /nfs/dbraw/zinc/56/06/30/361560630.db2.gz SQTUCNUHSOMZIF-UHFFFAOYSA-N 2 0 239.363 0.218 20 0 BCADRP Cn1ccc(C[NH+]2CCC(O)(C[NH3+])CC2)c1 ZINC000629648254 361540789 /nfs/dbraw/zinc/54/07/89/361540789.db2.gz JYPHEQSXRUJMHC-UHFFFAOYSA-N 2 0 223.320 0.311 20 0 BCADRP COC1(C[NH2+]C[C@H]2C[NH2+]CCCO2)CCCC1 ZINC000629648890 361542232 /nfs/dbraw/zinc/54/22/32/361542232.db2.gz BPWHEKYXOPHSDM-GFCCVEGCSA-N 2 0 242.363 0.914 20 0 BCADRP C[C@H]1CC[C@H]([NH2+]CC2CC[NH2+]CC2)CN1 ZINC000629660311 361565300 /nfs/dbraw/zinc/56/53/00/361565300.db2.gz RJRRLUUTVOSUDB-JQWIXIFHSA-N 2 0 211.353 0.716 20 0 BCADRP COC1(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCC1 ZINC000629649023 361543847 /nfs/dbraw/zinc/54/38/47/361543847.db2.gz FARWZPGXTPQPHL-URLYPYJESA-N 2 0 210.321 0.753 20 0 BCADRP C[C@@H]1CC[C@@H](NC[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000629660295 361566111 /nfs/dbraw/zinc/56/61/11/361566111.db2.gz REZSLBREMGAETR-GRYCIOLGSA-N 2 0 211.353 0.716 20 0 BCADRP CC(C)C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629652161 361550391 /nfs/dbraw/zinc/55/03/91/361550391.db2.gz BTZLOBUCNIBDQS-UHFFFAOYSA-N 2 0 210.281 0.387 20 0 BCADRP C[NH2+]CCOCCN(C)Cc1n[nH]cc1C ZINC000629652657 361551364 /nfs/dbraw/zinc/55/13/64/361551364.db2.gz BDQFFELRKITLTB-UHFFFAOYSA-N 2 0 226.324 0.386 20 0 BCADRP CCN(CC[NH3+])Cc1nc2c(s1)C[NH2+]CC2 ZINC000629651763 361556910 /nfs/dbraw/zinc/55/69/10/361556910.db2.gz XZYUOLVSLUMFSC-UHFFFAOYSA-N 2 0 240.376 0.569 20 0 BCADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+][C@H]1C ZINC000629671683 361590965 /nfs/dbraw/zinc/59/09/65/361590965.db2.gz DCFVCKWOKAAOBB-WRWGMCAJSA-N 2 0 211.353 0.857 20 0 BCADRP C[C@@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+][C@H]1C ZINC000629671681 361591033 /nfs/dbraw/zinc/59/10/33/361591033.db2.gz DCFVCKWOKAAOBB-NNYUYHANSA-N 2 0 211.353 0.857 20 0 BCADRP [NH3+]CCCOCC[NH2+]CC[C@H]1CCOC1 ZINC000629678809 361601094 /nfs/dbraw/zinc/60/10/94/361601094.db2.gz KRNCMQHDXAGARY-NSHDSACASA-N 2 0 216.325 0.368 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000379739503 361574366 /nfs/dbraw/zinc/57/43/66/361574366.db2.gz ZNQBGXOPSDHICA-PWSUYJOCSA-N 2 0 210.321 0.921 20 0 BCADRP CN(CC[NH2+]C(C)(C)C)CCOCC[NH3+] ZINC000629665869 361587573 /nfs/dbraw/zinc/58/75/73/361587573.db2.gz QLBCLOMXQCVWDK-UHFFFAOYSA-N 2 0 217.357 0.282 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H](C)[NH2+]1 ZINC000153552754 201242878 /nfs/dbraw/zinc/24/28/78/201242878.db2.gz MKEBKIGZJIEGSW-KKOKHZNYSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000434858637 201243889 /nfs/dbraw/zinc/24/38/89/201243889.db2.gz APQUTIPHXURVGP-VHSXEESVSA-N 2 0 245.392 0.181 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]2(C)CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000153556740 201244167 /nfs/dbraw/zinc/24/41/67/201244167.db2.gz BAQHLHDOHDXBNP-JFGNBEQYSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000629672226 361614577 /nfs/dbraw/zinc/61/45/77/361614577.db2.gz OQNZSFJGBMZTPL-FIQHERPVSA-N 3 0 211.353 0.715 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000434672552 201232271 /nfs/dbraw/zinc/23/22/71/201232271.db2.gz BKUSVOBLLQKYBO-KOLCDFICSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000434682309 201233659 /nfs/dbraw/zinc/23/36/59/201233659.db2.gz VUJQZIQAQDETFM-CMPLNLGQSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000434706361 201236768 /nfs/dbraw/zinc/23/67/68/201236768.db2.gz JOGFRVJXMSFFLS-LOWVWBTDSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000051694787 181341043 /nfs/dbraw/zinc/34/10/43/181341043.db2.gz JBZSVIDCFSTBNK-KPPDAEKUSA-N 2 0 225.336 0.372 20 0 BCADRP CCCC[C@H](COC)[NH2+]C[C@H](O)CN(C)C ZINC000154329716 201275806 /nfs/dbraw/zinc/27/58/06/201275806.db2.gz RCHXPAOHYUAZHN-NEPJUHHUSA-N 2 0 232.368 0.704 20 0 BCADRP C[NH2+]CCC[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000435879893 201292576 /nfs/dbraw/zinc/29/25/76/201292576.db2.gz GCFXFLPIMPYKHZ-STQMWFEESA-N 2 0 241.379 0.248 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000435875423 201293729 /nfs/dbraw/zinc/29/37/29/201293729.db2.gz CMKBOGBPSFPWHP-GFCCVEGCSA-N 2 0 225.336 0.198 20 0 BCADRP C[C@@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)[NH+](C)C ZINC000436309628 201321326 /nfs/dbraw/zinc/32/13/26/201321326.db2.gz OVKOUAMEFLKLQT-DMDPSCGWSA-N 2 0 239.363 0.442 20 0 BCADRP COc1cccc(C[C@@H](C)[NH2+]CCC[NH3+])n1 ZINC000437788607 201374821 /nfs/dbraw/zinc/37/48/21/201374821.db2.gz UOGYRELKAQCRBD-SNVBAGLBSA-N 2 0 223.320 0.960 20 0 BCADRP COCC[N@H+](C)CCC[NH2+]CC[C@H]1CCOC1 ZINC000438087786 201388665 /nfs/dbraw/zinc/38/86/65/201388665.db2.gz MRMKURMZYKKBMS-ZDUSSCGKSA-N 2 0 244.379 0.971 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000627245616 363849406 /nfs/dbraw/zinc/84/94/06/363849406.db2.gz QVTUWKPORSIIAV-UKKRHICBSA-N 2 0 240.351 0.129 20 0 BCADRP NC(=O)c1c[nH+]ccc1N[C@H]1CC[NH2+]C12CCC2 ZINC000630521906 364207608 /nfs/dbraw/zinc/20/76/08/364207608.db2.gz QBPQQHLBGRKMGY-NSHDSACASA-N 2 0 246.314 0.299 20 0 BCADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C[NH+](C)C ZINC000132274845 364236202 /nfs/dbraw/zinc/23/62/02/364236202.db2.gz MXWHIQSBGFSHGG-LLVKDONJSA-N 2 0 245.367 0.021 20 0 BCADRP C[NH2+][C@@H](C)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630605177 364324444 /nfs/dbraw/zinc/32/44/44/364324444.db2.gz GJSRAEPQEYATRF-DTWKUNHWSA-N 2 0 209.297 0.311 20 0 BCADRP c1c([C@H]2CCC[NH2+]C2)nnn1C[C@H]1CCC[NH2+]1 ZINC000630606318 364328491 /nfs/dbraw/zinc/32/84/91/364328491.db2.gz WZFGPIIVZBXBFJ-WDEREUQCSA-N 2 0 235.335 0.497 20 0 BCADRP C[NH+](C)CCc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630604568 364328508 /nfs/dbraw/zinc/32/85/08/364328508.db2.gz BKMVEVLVKSJESN-JTQLQIEISA-N 2 0 223.324 0.134 20 0 BCADRP CCC[C@@H]([NH3+])c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630606478 364329632 /nfs/dbraw/zinc/32/96/32/364329632.db2.gz YNFLEBCLTKIDEF-NXEZZACHSA-N 2 0 223.324 0.830 20 0 BCADRP [NH3+]CCc1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607053 364331849 /nfs/dbraw/zinc/33/18/49/364331849.db2.gz BJECIASSACOKDS-UHFFFAOYSA-N 2 0 217.276 0.227 20 0 BCADRP [NH3+]Cc1cccc(-n2cc(C[NH2+]C3CC3)nn2)c1 ZINC000630607577 364332881 /nfs/dbraw/zinc/33/28/81/364332881.db2.gz KOEADINXJKGJPP-UHFFFAOYSA-N 2 0 243.314 0.978 20 0 BCADRP CC(C)(C)[C@H]([NH3+])c1cn(CC2C[NH2+]C2)nn1 ZINC000630613140 364341347 /nfs/dbraw/zinc/34/13/47/364341347.db2.gz IEZMJFWUNHSAOA-SNVBAGLBSA-N 2 0 223.324 0.543 20 0 BCADRP [NH3+]CCCCn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000630586448 364293228 /nfs/dbraw/zinc/29/32/28/364293228.db2.gz NTIJQJLDPKLWSU-SNVBAGLBSA-N 2 0 223.324 0.169 20 0 BCADRP COCC[NH2+]CCc1cn(-c2ccncc2)nn1 ZINC000630587333 364294657 /nfs/dbraw/zinc/29/46/57/364294657.db2.gz YTMJDNFBHHIZBS-UHFFFAOYSA-N 2 0 247.302 0.441 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000134365297 364401112 /nfs/dbraw/zinc/40/11/12/364401112.db2.gz LCWXSHFTZPBNCX-MWLCHTKSSA-N 2 0 211.309 0.078 20 0 BCADRP [NH3+]Cc1cccc(-c2cn(CC3C[NH2+]C3)nn2)c1 ZINC000630614715 364346788 /nfs/dbraw/zinc/34/67/88/364346788.db2.gz YCAADXBXXVUAGN-UHFFFAOYSA-N 2 0 243.314 0.623 20 0 BCADRP NC(=O)c1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000044513689 181365159 /nfs/dbraw/zinc/36/51/59/181365159.db2.gz FMFUVZOYUZDNDZ-UHFFFAOYSA-N 2 0 247.342 0.956 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000375285723 181365479 /nfs/dbraw/zinc/36/54/79/181365479.db2.gz FAGORJHHSZDXLN-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]CCC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000336508941 181366532 /nfs/dbraw/zinc/36/65/32/181366532.db2.gz BSZJUWYIEBIBKF-UHFFFAOYSA-N 2 0 225.336 0.327 20 0 BCADRP [NH3+]CCC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973477 181366396 /nfs/dbraw/zinc/36/63/96/181366396.db2.gz ORHDYLGGZZQCSW-LLVKDONJSA-N 2 0 225.336 0.422 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000366635981 181367025 /nfs/dbraw/zinc/36/70/25/181367025.db2.gz YSXZDXMJLNGISB-MNOVXSKESA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000615309113 364683866 /nfs/dbraw/zinc/68/38/66/364683866.db2.gz QJQISWSHBAUOTO-GRYCIOLGSA-N 2 0 239.363 0.632 20 0 BCADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C1([NH+](C)C)CC1 ZINC000615320975 364690825 /nfs/dbraw/zinc/69/08/25/364690825.db2.gz YUIMSRHOHUFUCS-GHMZBOCLSA-N 2 0 239.363 0.632 20 0 BCADRP [NH3+]CCCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000374624418 181371094 /nfs/dbraw/zinc/37/10/94/181371094.db2.gz QCAPYURFQMUIJH-AXFHLTTASA-N 2 0 225.336 0.311 20 0 BCADRP [NH3+]CCC1CC[NH+](CCN2CCOCC2)CC1 ZINC000042427621 181371238 /nfs/dbraw/zinc/37/12/38/181371238.db2.gz STNAWMZDCWXDCX-UHFFFAOYSA-N 2 0 241.379 0.379 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371226601 181371301 /nfs/dbraw/zinc/37/13/01/181371301.db2.gz CCPWZSJBZVGTPE-NEPJUHHUSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000573566064 364862963 /nfs/dbraw/zinc/86/29/63/364862963.db2.gz VNEPXQKUXGSWNB-ONGXEEELSA-N 2 0 213.325 0.372 20 0 BCADRP CC(C)([NH3+])C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000573565387 364863064 /nfs/dbraw/zinc/86/30/64/364863064.db2.gz IHOYWJRCUSRKAL-VIFPVBQESA-N 2 0 248.330 0.573 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000573379505 364816042 /nfs/dbraw/zinc/81/60/42/364816042.db2.gz KGSIPURPXXJCDZ-CMPLNLGQSA-N 3 0 229.368 0.016 20 0 BCADRP C[NH+]1CCN(C[C@@H](O)C[N@@H+]2CCC2(C)C)CC1 ZINC000573403949 364824625 /nfs/dbraw/zinc/82/46/25/364824625.db2.gz WAEGYSXLVGLJLD-GFCCVEGCSA-N 2 0 241.379 0.079 20 0 BCADRP C[NH+](C)CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000167998200 364829352 /nfs/dbraw/zinc/82/93/52/364829352.db2.gz GYHUJGUGEMZXJA-UHFFFAOYSA-N 2 0 221.304 0.323 20 0 BCADRP [NH3+]CCCN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000573431498 364831348 /nfs/dbraw/zinc/83/13/48/364831348.db2.gz OSQUSBGTKSAVCV-RYUDHWBXSA-N 2 0 211.353 0.942 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000573487689 364845690 /nfs/dbraw/zinc/84/56/90/364845690.db2.gz JJTAVLNWGGFWTB-OIBJUYFYSA-N 2 0 237.294 0.603 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000573494182 364846774 /nfs/dbraw/zinc/84/67/74/364846774.db2.gz ONHCINOXUSGXGS-SDDRHHMPSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+]CCSCCC[NH+]1CCOCC1 ZINC000573681438 364890964 /nfs/dbraw/zinc/89/09/64/364890964.db2.gz WHUKXPNKGQOXAG-UHFFFAOYSA-N 2 0 218.366 0.661 20 0 BCADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@@H]1CC1(C)C ZINC000573675004 364889901 /nfs/dbraw/zinc/88/99/01/364889901.db2.gz ZEPGJEVVUWYDAC-QWRGUYRKSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@H]1CC1(C)C ZINC000573675005 364889977 /nfs/dbraw/zinc/88/99/77/364889977.db2.gz ZEPGJEVVUWYDAC-WDEREUQCSA-N 2 0 239.363 0.442 20 0 BCADRP [NH3+]CCCC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000340643149 181371641 /nfs/dbraw/zinc/37/16/41/181371641.db2.gz XIXSBISDNKQWIZ-UHFFFAOYSA-N 2 0 249.358 0.755 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371226602 181371824 /nfs/dbraw/zinc/37/18/24/181371824.db2.gz CCPWZSJBZVGTPE-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000573799638 364917440 /nfs/dbraw/zinc/91/74/40/364917440.db2.gz YLRCNBBKZFQCOU-VXGBXAGGSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]CCCC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188753081 181372593 /nfs/dbraw/zinc/37/25/93/181372593.db2.gz AQFDJXBIDLDMJK-UHFFFAOYSA-N 2 0 233.315 0.645 20 0 BCADRP [NH3+]CCCCCCC(=O)N1CCC[NH2+]CC1 ZINC000035738345 181373532 /nfs/dbraw/zinc/37/35/32/181373532.db2.gz RUGQNQZRDFULNZ-UHFFFAOYSA-N 2 0 227.352 0.718 20 0 BCADRP C[C@]1(C(=O)NCC[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000573942088 364951928 /nfs/dbraw/zinc/95/19/28/364951928.db2.gz DFYNKPKZWXTWBR-ZYHUDNBSSA-N 2 0 225.336 0.387 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000573921827 364946720 /nfs/dbraw/zinc/94/67/20/364946720.db2.gz UPVHDMNUOODPRQ-LBPRGKRZSA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+]CCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000367966057 181377586 /nfs/dbraw/zinc/37/75/86/181377586.db2.gz XDZHFOMYGNAERF-RYUDHWBXSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]CCC1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000583507395 541422158 /nfs/dbraw/zinc/42/21/58/541422158.db2.gz XATYONFBZPYOHM-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH2+]CC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000573966047 364956486 /nfs/dbraw/zinc/95/64/86/364956486.db2.gz OAZSEFSWOZBHQP-ZDUSSCGKSA-N 3 0 225.380 0.917 20 0 BCADRP OCCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151300093 541441224 /nfs/dbraw/zinc/44/12/24/541441224.db2.gz HYPWTBYJZXWECM-UHFFFAOYSA-N 2 0 235.331 0.976 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)c1coc(C[NH3+])c1 ZINC000574042648 364973844 /nfs/dbraw/zinc/97/38/44/364973844.db2.gz RTLHOYXDFCCBEA-UHFFFAOYSA-N 2 0 239.319 0.986 20 0 BCADRP CC[NH2+]CCCNC(=O)NCCC[NH2+]CC ZINC000574060104 364979743 /nfs/dbraw/zinc/97/97/43/364979743.db2.gz UEZWVYJYQXINEB-UHFFFAOYSA-N 2 0 230.356 0.285 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000574159880 364999588 /nfs/dbraw/zinc/99/95/88/364999588.db2.gz MDPLEBYPWYJUGV-GRYCIOLGSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]CCC[N@H+](CCO)C1CCCCC1 ZINC000036732248 181379836 /nfs/dbraw/zinc/37/98/36/181379836.db2.gz VLKJXVWYLMLFIN-UHFFFAOYSA-N 2 0 200.326 0.962 20 0 BCADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)C1CC1)[NH+](C)C ZINC000162174076 541446753 /nfs/dbraw/zinc/44/67/53/541446753.db2.gz PECIJZIQCARMPP-ZYHUDNBSSA-N 2 0 241.379 0.926 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC1CC[NH2+]CC1 ZINC000574156117 364997081 /nfs/dbraw/zinc/99/70/81/364997081.db2.gz IYDLVZHGMCGIHJ-SNVBAGLBSA-N 2 0 227.352 0.490 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000168986033 365048362 /nfs/dbraw/zinc/04/83/62/365048362.db2.gz LOPRVBGGLHHJJQ-ZJUUUORDSA-N 2 0 214.309 0.751 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000574398172 365048456 /nfs/dbraw/zinc/04/84/56/365048456.db2.gz RPOLIDRNHPNGRJ-HBNTYKKESA-N 2 0 244.383 0.785 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000574414694 365058186 /nfs/dbraw/zinc/05/81/86/365058186.db2.gz ZVDMGXURVHDTGX-LBPRGKRZSA-N 2 0 241.379 0.783 20 0 BCADRP [NH3+]CCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000107213676 181392133 /nfs/dbraw/zinc/39/21/33/181392133.db2.gz YOXBUSUJTNLVQJ-GFCCVEGCSA-N 2 0 211.353 0.895 20 0 BCADRP [NH3+]CCN(CC[NH3+])CCc1ccccc1 ZINC000038585902 181390082 /nfs/dbraw/zinc/39/00/82/181390082.db2.gz YRXJBYDJAZSXDL-UHFFFAOYSA-N 2 0 207.321 0.449 20 0 BCADRP O=C(C1CC[NH2+]CC1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000574325727 365036976 /nfs/dbraw/zinc/03/69/76/365036976.db2.gz FRJDOWNBENZYBO-GFCCVEGCSA-N 2 0 237.347 0.339 20 0 BCADRP CC[C@H](C)[C@H](C)[NH2+]C[C@](C)(O)C[NH2+]C ZINC000574525572 365084079 /nfs/dbraw/zinc/08/40/79/365084079.db2.gz RCYTYVYCHYABBG-GARJFASQSA-N 2 0 202.342 0.981 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000433144580 192986511 /nfs/dbraw/zinc/98/65/11/192986511.db2.gz NAHSEIIPDTVUOB-VWYCJHECSA-N 2 0 227.352 0.332 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C)CC1(C)C ZINC000574581709 365096404 /nfs/dbraw/zinc/09/64/04/365096404.db2.gz PLKASUYELFGZOM-LBPRGKRZSA-N 2 0 243.395 0.325 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000574636891 365109111 /nfs/dbraw/zinc/10/91/11/365109111.db2.gz ILMSRLRJTSIWKM-USZNOCQGSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCC[NH2+]C1CC1 ZINC000574517034 365073911 /nfs/dbraw/zinc/07/39/11/365073911.db2.gz MWYAZVVFXQJVAF-VHSXEESVSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCC[NH2+]C1CC1 ZINC000574517032 365078378 /nfs/dbraw/zinc/07/83/78/365078378.db2.gz MWYAZVVFXQJVAF-NXEZZACHSA-N 2 0 242.367 0.554 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000433116692 192984736 /nfs/dbraw/zinc/98/47/36/192984736.db2.gz LOIXQYHDHKRMQW-OUAUKWLOSA-N 2 0 227.352 0.461 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000433116390 192984792 /nfs/dbraw/zinc/98/47/92/192984792.db2.gz KUKVNNGBPKKLSW-PWSUYJOCSA-N 2 0 229.368 0.707 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000574811727 365150738 /nfs/dbraw/zinc/15/07/38/365150738.db2.gz QKVXIASCOQQOPB-OUAUKWLOSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[NH+](C)C ZINC000443214385 193014563 /nfs/dbraw/zinc/01/45/63/193014563.db2.gz NOEHCUBAOHXFSH-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000444158170 193037948 /nfs/dbraw/zinc/03/79/48/193037948.db2.gz GPDMYQIYJHQHHR-VXGBXAGGSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000191987367 365220011 /nfs/dbraw/zinc/22/00/11/365220011.db2.gz BFFPHDIFHAZJGI-LPEHRKFASA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000444158162 193038747 /nfs/dbraw/zinc/03/87/47/193038747.db2.gz GPDMYQIYJHQHHR-NWDGAFQWSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444176213 193039339 /nfs/dbraw/zinc/03/93/39/193039339.db2.gz OEGPPWHQWAUFEB-YPMHNXCESA-N 2 0 239.363 0.444 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)co1 ZINC000444177246 193040100 /nfs/dbraw/zinc/04/01/00/193040100.db2.gz UFHXEUZTTKSKRP-SNVBAGLBSA-N 2 0 249.314 0.705 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444176212 193040495 /nfs/dbraw/zinc/04/04/95/193040495.db2.gz OEGPPWHQWAUFEB-WCQYABFASA-N 2 0 239.363 0.444 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)c1c[nH+]ccc1N)C1CC1 ZINC000444182259 193040644 /nfs/dbraw/zinc/04/06/44/193040644.db2.gz KRMCGGKVXUKYHQ-GFCCVEGCSA-N 2 0 248.330 0.564 20 0 BCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444191697 193041469 /nfs/dbraw/zinc/04/14/69/193041469.db2.gz YFVAENFRQCPMNA-VXGBXAGGSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000444191664 193041678 /nfs/dbraw/zinc/04/16/78/193041678.db2.gz XVFYDXGVKXAUFX-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444193458 193041720 /nfs/dbraw/zinc/04/17/20/193041720.db2.gz RELDJENSIIENGC-WZRBSPASSA-N 2 0 237.347 0.196 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444193455 193041878 /nfs/dbraw/zinc/04/18/78/193041878.db2.gz RELDJENSIIENGC-MDZLAQPJSA-N 2 0 237.347 0.196 20 0 BCADRP CC(C)[C@H](C(=O)NCC[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000444259475 193042388 /nfs/dbraw/zinc/04/23/88/193042388.db2.gz MXZCJDINAQSTQZ-VXGBXAGGSA-N 2 0 241.379 0.831 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH2+]2)C[C@@H]1C ZINC000444274058 193043316 /nfs/dbraw/zinc/04/33/16/193043316.db2.gz WYRNVDRZXWGVRK-QJPTWQEYSA-N 2 0 239.363 0.680 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000444261987 193043401 /nfs/dbraw/zinc/04/34/01/193043401.db2.gz HZMDUMYHZPNVBQ-GRYCIOLGSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@H](C)C[NH2+]1 ZINC000444265853 193043996 /nfs/dbraw/zinc/04/39/96/193043996.db2.gz RWLXTQXNHKPMBZ-HNCHTBHHSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[NH2+]2)CC[N@@H+]1C ZINC000444269720 193044171 /nfs/dbraw/zinc/04/41/71/193044171.db2.gz MAGMWZFKCRNAIG-OUAUKWLOSA-N 2 0 225.336 0.289 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000192127191 365276358 /nfs/dbraw/zinc/27/63/58/365276358.db2.gz MZJNBDOEOFUEIZ-NXEZZACHSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H](C)C[NH3+] ZINC000379795345 365273653 /nfs/dbraw/zinc/27/36/53/365273653.db2.gz KGONHJHZQBZWRU-WPRPVWTQSA-N 2 0 201.314 0.071 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000575310861 365283978 /nfs/dbraw/zinc/28/39/78/365283978.db2.gz DDOHGNLHTMGPBK-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP Cn1cncc1CCC[N@H+](C)CCC(N)=O ZINC000575326860 365290513 /nfs/dbraw/zinc/29/05/13/365290513.db2.gz IPENXERJCPXUCJ-UHFFFAOYSA-N 2 0 224.308 0.160 20 0 BCADRP [NH3+][C@H]1CCC[C@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000575400300 365309560 /nfs/dbraw/zinc/30/95/60/365309560.db2.gz YFLCVRZWBZVSFH-RYUDHWBXSA-N 2 0 239.363 0.620 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000575744925 365349283 /nfs/dbraw/zinc/34/92/83/365349283.db2.gz BMUNPNOPGLLOOJ-BDAKNGLRSA-N 2 0 216.329 0.021 20 0 BCADRP CSC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000575917322 365412290 /nfs/dbraw/zinc/41/22/90/365412290.db2.gz UYPWFQBEWVJSCJ-GARJFASQSA-N 2 0 232.393 0.783 20 0 BCADRP C[C@@H](NC(=O)C(C)(C)C[NH3+])[C@H]1CCC[NH2+]C1 ZINC000576028942 365455614 /nfs/dbraw/zinc/45/56/14/365455614.db2.gz FIYLGLVZOOUHAA-ZJUUUORDSA-N 2 0 227.352 0.476 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000576038678 365457972 /nfs/dbraw/zinc/45/79/72/365457972.db2.gz JXWJFYMDKZZHRK-VIFPVBQESA-N 2 0 249.305 0.427 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000579590162 366893958 /nfs/dbraw/zinc/89/39/58/366893958.db2.gz MUSUGLJNVAWQQN-ZNSHCXBVSA-N 2 0 225.336 0.099 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000579590303 366894249 /nfs/dbraw/zinc/89/42/49/366894249.db2.gz WXKMDPCJNYJNOD-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)C[NH2+]C1CC1 ZINC000579590150 366894354 /nfs/dbraw/zinc/89/43/54/366894354.db2.gz MAKPAHMZEYBROP-HMKSTLMESA-N 2 0 237.347 0.371 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000576105610 365487341 /nfs/dbraw/zinc/48/73/41/365487341.db2.gz GSNBTLWHWKXLCN-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1CC[NH2+]1 ZINC000576116997 365491215 /nfs/dbraw/zinc/49/12/15/365491215.db2.gz AYDVYDDHNAXHKR-SQLBVSGCSA-N 2 0 223.320 0.078 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000576146992 365500262 /nfs/dbraw/zinc/50/02/62/365500262.db2.gz VGHZRIXEJLUAPS-TUAOUCFPSA-N 2 0 211.353 0.988 20 0 BCADRP CNC(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156091933 541485585 /nfs/dbraw/zinc/48/55/85/541485585.db2.gz DNJMYYOWMSOZPY-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H](C(=O)NCC[NH2+]C(C)(C)C)[C@H](C)[NH3+] ZINC000564929214 325827273 /nfs/dbraw/zinc/82/72/73/325827273.db2.gz KWCKWOYRUPYPEZ-BDAKNGLRSA-N 2 0 215.341 0.474 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000564955450 325832750 /nfs/dbraw/zinc/83/27/50/325832750.db2.gz SGFJUTKALMZJGL-QWRGUYRKSA-N 2 0 227.352 0.762 20 0 BCADRP CC(C)CC[C@@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000579699386 366982822 /nfs/dbraw/zinc/98/28/22/366982822.db2.gz HYLVJWRGOWNONL-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+]CCCN[C@@H]1CC[N@H+](CCOC)C1 ZINC000579701416 366983083 /nfs/dbraw/zinc/98/30/83/366983083.db2.gz ZWOHCTQXNPRPIG-GFCCVEGCSA-N 2 0 229.368 0.296 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)CCCC[NH3+] ZINC000579710724 366988248 /nfs/dbraw/zinc/98/82/48/366988248.db2.gz PIGBYUVTCUNNQN-UHFFFAOYSA-N 2 0 227.352 0.668 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000579859241 367056425 /nfs/dbraw/zinc/05/64/25/367056425.db2.gz LQGMPVRQMFQSAF-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CC[NH2+]C1CC1 ZINC000579972287 367098880 /nfs/dbraw/zinc/09/88/80/367098880.db2.gz SMDIEHVSACEYBC-NXEZZACHSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000579961607 367105098 /nfs/dbraw/zinc/10/50/98/367105098.db2.gz MCDSYCKEXFYTEP-RMPHRYRLSA-N 2 0 237.347 0.310 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000580831986 367180640 /nfs/dbraw/zinc/18/06/40/367180640.db2.gz NKSCUODKALQESI-SDDRHHMPSA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000580726686 367151029 /nfs/dbraw/zinc/15/10/29/367151029.db2.gz ZTTZAMPYQVXOFH-NWDGAFQWSA-N 2 0 241.379 0.973 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CC[C@H](C)[NH3+])C1 ZINC000193170639 367154470 /nfs/dbraw/zinc/15/44/70/367154470.db2.gz WIDDPOCPFOOLSR-AXFHLTTASA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)NC[C@H](C)C[NH3+] ZINC000580764015 367159351 /nfs/dbraw/zinc/15/93/51/367159351.db2.gz ATCMEXCVHDOLRD-SNVBAGLBSA-N 2 0 230.356 0.269 20 0 BCADRP C[NH2+]CCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000580892856 367199194 /nfs/dbraw/zinc/19/91/94/367199194.db2.gz SKRVLJJPOUOZQW-UHFFFAOYSA-N 2 0 232.287 0.957 20 0 BCADRP C[NH+](C)CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000580892526 367199335 /nfs/dbraw/zinc/19/93/35/367199335.db2.gz LGWNYFOEBPIVPU-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000580941854 367211909 /nfs/dbraw/zinc/21/19/09/367211909.db2.gz DNHRBKRKFALMLI-IJLUTSLNSA-N 2 0 239.363 0.633 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000580951339 367214287 /nfs/dbraw/zinc/21/42/87/367214287.db2.gz MLICUSOAQAAFCH-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000580951234 367214628 /nfs/dbraw/zinc/21/46/28/367214628.db2.gz DPKFBOMACQZKMY-MXWKQRLJSA-N 2 0 227.352 0.631 20 0 BCADRP CCC[NH2+]CCNC(=O)c1ccccc1CC[NH3+] ZINC000580959503 367218070 /nfs/dbraw/zinc/21/80/70/367218070.db2.gz MMDCQBCEIQJAGL-UHFFFAOYSA-N 2 0 249.358 0.917 20 0 BCADRP C[C@]1(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000581132154 367271568 /nfs/dbraw/zinc/27/15/68/367271568.db2.gz HDGRFAWDTYJKDP-UMNHJUIQSA-N 2 0 225.336 0.230 20 0 BCADRP CC[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000581012599 367235622 /nfs/dbraw/zinc/23/56/22/367235622.db2.gz ITKRTJJFOVWTLS-QWHCGFSZSA-N 2 0 241.379 0.391 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000581061735 367248452 /nfs/dbraw/zinc/24/84/52/367248452.db2.gz MVLFANDANCNHAI-NSHDSACASA-N 2 0 242.367 0.317 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000381020742 367335570 /nfs/dbraw/zinc/33/55/70/367335570.db2.gz AARLSWOBZTYJOW-VHSXEESVSA-N 2 0 213.325 0.311 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000581250579 367309256 /nfs/dbraw/zinc/30/92/56/367309256.db2.gz QGVVLFNKJIEBFS-NXEZZACHSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000581252477 367310649 /nfs/dbraw/zinc/31/06/49/367310649.db2.gz USFLCQXCXFXLOI-IVZWLZJFSA-N 2 0 227.352 0.556 20 0 BCADRP CC[C@H](C)[N@H+](C)C[C@H](O)CN(C)CCOC ZINC000380971545 367326689 /nfs/dbraw/zinc/32/66/89/367326689.db2.gz APWHGKLVMCSBEV-NWDGAFQWSA-N 2 0 232.368 0.656 20 0 BCADRP [NH3+]CCCCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000381317342 367379458 /nfs/dbraw/zinc/37/94/58/367379458.db2.gz UAEFMJGCSHGBOR-MNOVXSKESA-N 2 0 227.352 0.749 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NC1(C)CC[NH2+]CC1 ZINC000381374493 367390324 /nfs/dbraw/zinc/39/03/24/367390324.db2.gz IMDZLMOHEAZPTN-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000565303718 325893261 /nfs/dbraw/zinc/89/32/61/325893261.db2.gz YQFHYGVRWYNEKG-VIFPVBQESA-N 2 0 221.304 0.612 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000381391204 367392695 /nfs/dbraw/zinc/39/26/95/367392695.db2.gz NJBVMEXSUBRXKI-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H]1CN(C(=O)CCCC[NH3+])C[C@H](C)[NH2+]1 ZINC000381401439 367394873 /nfs/dbraw/zinc/39/48/73/367394873.db2.gz QEQGWMNBPMKGJQ-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC1(C)CC[NH2+]CC1 ZINC000381435684 367403169 /nfs/dbraw/zinc/40/31/69/367403169.db2.gz CNSUFIHEDDMDMP-VIFPVBQESA-N 2 0 213.325 0.372 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000381989795 367477043 /nfs/dbraw/zinc/47/70/43/367477043.db2.gz HHYCKZXVFIPXQP-IVZWLZJFSA-N 2 0 213.325 0.500 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000381646844 367442792 /nfs/dbraw/zinc/44/27/92/367442792.db2.gz QQJJKGHPAKKALW-VIFPVBQESA-N 2 0 213.325 0.087 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1CC(O)C1 ZINC000382843512 367563264 /nfs/dbraw/zinc/56/32/64/367563264.db2.gz XTKWUJGTMDXBIP-XKGSQUFQSA-N 2 0 212.337 0.687 20 0 BCADRP COC(C)(C)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000382229280 367499513 /nfs/dbraw/zinc/49/95/13/367499513.db2.gz CJPYISDKRTVCMW-UHFFFAOYSA-N 2 0 229.368 0.248 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000581488182 367519334 /nfs/dbraw/zinc/51/93/34/367519334.db2.gz SYGFDVMBQICIOZ-HTRCEHHLSA-N 2 0 235.278 0.226 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000382949218 367571323 /nfs/dbraw/zinc/57/13/23/367571323.db2.gz LDYGGYYZANJHTP-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000382943039 367571843 /nfs/dbraw/zinc/57/18/43/367571843.db2.gz JKOHKXCJKGRRIG-JTQLQIEISA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000382976437 367579072 /nfs/dbraw/zinc/57/90/72/367579072.db2.gz SPOYODNJHOZELX-NHCYSSNCSA-N 2 0 239.363 0.726 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCC(C)(C)C[NH+](C)C ZINC000382962643 367573137 /nfs/dbraw/zinc/57/31/37/367573137.db2.gz PCBSJGXZBLKTEY-JTQLQIEISA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCC[NH+]1CCCC1 ZINC000383123592 367597951 /nfs/dbraw/zinc/59/79/51/367597951.db2.gz HCBWIPXDXHRKJL-SNVBAGLBSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000581606771 367630276 /nfs/dbraw/zinc/63/02/76/367630276.db2.gz HZCOIIQNDBMWFX-AXFHLTTASA-N 2 0 227.352 0.476 20 0 BCADRP C[NH2+]Cc1ccc(NC(=O)C2([NH3+])CC2)cc1 ZINC000565834017 325962334 /nfs/dbraw/zinc/96/23/34/325962334.db2.gz RJTKZALVQXIXSU-UHFFFAOYSA-N 2 0 219.288 0.836 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)C1CCOCC1 ZINC000383679959 367648894 /nfs/dbraw/zinc/64/88/94/367648894.db2.gz QMTLHARXRNLIQU-WCQYABFASA-N 2 0 244.379 0.704 20 0 BCADRP [NH3+]CC1(O)CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000383819627 367654259 /nfs/dbraw/zinc/65/42/59/367654259.db2.gz HBXVEHFUWKKLDB-NSHDSACASA-N 2 0 228.336 0.341 20 0 BCADRP [NH3+]CC1(O)CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000383819626 367654587 /nfs/dbraw/zinc/65/45/87/367654587.db2.gz HBXVEHFUWKKLDB-LLVKDONJSA-N 2 0 228.336 0.341 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000384339387 367685589 /nfs/dbraw/zinc/68/55/89/367685589.db2.gz CCIQEEMUYUBIRM-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)C[NH+]1CCCCC1 ZINC000384781669 367731651 /nfs/dbraw/zinc/73/16/51/367731651.db2.gz NHGDFINSDCFPEJ-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H]1CC[NH2+]1 ZINC000384785191 367733405 /nfs/dbraw/zinc/73/34/05/367733405.db2.gz NBCOXUHKEVLMLZ-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000384797467 367734546 /nfs/dbraw/zinc/73/45/46/367734546.db2.gz AUOCLZPORVFSPF-OUAUKWLOSA-N 2 0 223.320 0.043 20 0 BCADRP CC[NH+]1CCC(CNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000384809309 367734995 /nfs/dbraw/zinc/73/49/95/367734995.db2.gz FNNCTDCCKUNBBP-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH+](C)C[C@@H](NC(=O)[C@H]1CC[NH2+]1)c1ccccc1 ZINC000384819821 367736589 /nfs/dbraw/zinc/73/65/89/367736589.db2.gz OKBDILIHNIAKIN-CHWSQXEVSA-N 2 0 247.342 0.767 20 0 BCADRP O=C(NCCC[NH+]1CCCCC1)[C@H]1CC[NH2+]1 ZINC000384836255 367740542 /nfs/dbraw/zinc/74/05/42/367740542.db2.gz PCMAXGVRESPBBK-LLVKDONJSA-N 2 0 225.336 0.341 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000566181671 326003876 /nfs/dbraw/zinc/00/38/76/326003876.db2.gz MPKVTHHFOMKEGX-KOLCDFICSA-N 2 0 245.392 0.277 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)CCC[NH3+] ZINC000581882803 367873476 /nfs/dbraw/zinc/87/34/76/367873476.db2.gz OOXOJFSSQLKQMW-UHFFFAOYSA-N 2 0 201.314 0.230 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000581884722 367875511 /nfs/dbraw/zinc/87/55/11/367875511.db2.gz UTQQRIQFMALJNL-VHSXEESVSA-N 2 0 227.352 0.476 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH3+])CC1 ZINC000581824891 367832546 /nfs/dbraw/zinc/83/25/46/367832546.db2.gz JFGMMEVPSWZKOS-UHFFFAOYSA-N 2 0 248.330 0.711 20 0 BCADRP CN(C(=O)CCCC[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000566193868 326009868 /nfs/dbraw/zinc/00/98/68/326009868.db2.gz OBYVCLTZLFMZIM-GFCCVEGCSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@H]([NH2+]CCCOCCO)[C@H]1CCCC[NH2+]1 ZINC000386593677 367998014 /nfs/dbraw/zinc/99/80/14/367998014.db2.gz SEIYIXRUYGGASN-NWDGAFQWSA-N 2 0 230.352 0.506 20 0 BCADRP C[C@H](C(=O)NCC[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000087645622 367952285 /nfs/dbraw/zinc/95/22/85/367952285.db2.gz VPYUKDVKTRFKIU-GXSJLCMTSA-N 2 0 221.304 0.397 20 0 BCADRP COC[C@H](C)C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000581931431 367956505 /nfs/dbraw/zinc/95/65/05/367956505.db2.gz WMHJZVZGVUGPOA-MXWKQRLJSA-N 2 0 200.326 0.986 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC2=[NH+]CCCN2)C1 ZINC000386488882 367980789 /nfs/dbraw/zinc/98/07/89/367980789.db2.gz UAMDHZFFVCJUFF-NSHDSACASA-N 2 0 224.352 0.656 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000441626501 201559691 /nfs/dbraw/zinc/55/96/91/201559691.db2.gz YAGYLEPMJVENMY-WYUUTHIRSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH+](C)CC1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000615505673 368081579 /nfs/dbraw/zinc/08/15/79/368081579.db2.gz SQXHXIQRKCYLRN-LBPRGKRZSA-N 2 0 239.363 0.491 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)CCC[NH3+] ZINC000566560637 326064239 /nfs/dbraw/zinc/06/42/39/326064239.db2.gz FIDOZZWGOIRLOA-IUCAKERBSA-N 2 0 201.314 0.213 20 0 BCADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000063119635 368580648 /nfs/dbraw/zinc/58/06/48/368580648.db2.gz ZYAGMMLCFSOOJT-MNOVXSKESA-N 2 0 225.336 0.134 20 0 BCADRP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000081018630 368567106 /nfs/dbraw/zinc/56/71/06/368567106.db2.gz FCVQJOTZNMDWEL-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@@H](C)[NH+](C)C ZINC000068064573 368712037 /nfs/dbraw/zinc/71/20/37/368712037.db2.gz IXHUBAHZWRETDM-SNVBAGLBSA-N 2 0 215.341 0.395 20 0 BCADRP CN(C)CC(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457075796 203004609 /nfs/dbraw/zinc/00/46/09/203004609.db2.gz NEOLBYZPQCUTIT-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000457366988 203046684 /nfs/dbraw/zinc/04/66/84/203046684.db2.gz WAFVEXGIOVOAIC-NAKRPEOUSA-N 2 0 227.352 0.554 20 0 BCADRP CN(C)C(=O)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086403306 368880384 /nfs/dbraw/zinc/88/03/84/368880384.db2.gz GZQOVOLCUWRJMA-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP Cn1nccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000086701155 368883842 /nfs/dbraw/zinc/88/38/42/368883842.db2.gz NAERKRMMAGPRIT-UHFFFAOYSA-N 2 0 208.309 0.509 20 0 BCADRP c1nc2n(n1)[C@H](CN1CCC[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000631827568 368995013 /nfs/dbraw/zinc/99/50/13/368995013.db2.gz QNHRXLFXJDNNST-SDDRHHMPSA-N 2 0 247.346 0.449 20 0 BCADRP CCO[C@@H]1C[N@H+](C[C@@H]2CCO[C@H]2C)C[C@H]1C[NH3+] ZINC000631828996 369003810 /nfs/dbraw/zinc/00/38/10/369003810.db2.gz DGKCEUVWELMZTJ-WUHRBBMRSA-N 2 0 242.363 0.707 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)CC1C[NH+](C)C1 ZINC000618194022 369085134 /nfs/dbraw/zinc/08/51/34/369085134.db2.gz MRYAYLOMAVUPMM-UHFFFAOYSA-N 2 0 227.352 0.348 20 0 BCADRP C[C@@H](CNC(=O)NC(C)(C)C[NH+](C)C)[NH+](C)C ZINC000459066112 203228352 /nfs/dbraw/zinc/22/83/52/203228352.db2.gz URRFRQLZQVYRMX-JTQLQIEISA-N 2 0 244.383 0.576 20 0 BCADRP COC(=O)CCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404884850 369438249 /nfs/dbraw/zinc/43/82/49/369438249.db2.gz IBABPHHLROQWJX-RKDXNWHRSA-N 2 0 214.309 0.655 20 0 BCADRP CCOC(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404905641 369438666 /nfs/dbraw/zinc/43/86/66/369438666.db2.gz ROMYLLLROYFRBR-DTWKUNHWSA-N 2 0 214.309 0.655 20 0 BCADRP COC(=O)C[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000259913048 370955239 /nfs/dbraw/zinc/95/52/39/370955239.db2.gz GODONDJBEMPMLO-GHMZBOCLSA-N 2 0 226.320 0.623 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000567847296 326269274 /nfs/dbraw/zinc/26/92/74/326269274.db2.gz HAKQXFMNDQYCON-UMNHJUIQSA-N 2 0 227.352 0.748 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000336420548 181480658 /nfs/dbraw/zinc/48/06/58/181480658.db2.gz HEUNSGBWMUJCCX-GDNZZTSVSA-N 2 0 231.299 0.093 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000165603594 203384676 /nfs/dbraw/zinc/38/46/76/203384676.db2.gz BSOWTVUKSDCEEQ-VXGBXAGGSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000165603192 203385282 /nfs/dbraw/zinc/38/52/82/203385282.db2.gz OLAQUEAYHGUHHC-NWDGAFQWSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000567897269 326278884 /nfs/dbraw/zinc/27/88/84/326278884.db2.gz RVOZMFZKHHJUEY-JTQLQIEISA-N 2 0 227.352 0.346 20 0 BCADRP CN(C(=O)[C@H]([NH3+])CC(F)F)C1(C[NH3+])CCC1 ZINC000567912762 326282578 /nfs/dbraw/zinc/28/25/78/326282578.db2.gz UDHVACJVSZVCDA-SSDOTTSWSA-N 2 0 235.278 0.309 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000619898152 369630810 /nfs/dbraw/zinc/63/08/10/369630810.db2.gz FBSTYSGTGDGQNZ-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H](C)[NH+](C)C)CC[NH2+]1 ZINC000621154599 370127183 /nfs/dbraw/zinc/12/71/83/370127183.db2.gz OJLPNLVXILWRDC-WDEREUQCSA-N 2 0 227.352 0.393 20 0 BCADRP C[C@@H]1CCN(Cc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000253194120 370161263 /nfs/dbraw/zinc/16/12/63/370161263.db2.gz POINZBWRPOJIHR-ZYHUDNBSSA-N 2 0 222.336 0.837 20 0 BCADRP C[C@@H]1CN(C(=O)CCCC[NH3+])[C@@H](C)C[NH2+]1 ZINC000309760655 370255495 /nfs/dbraw/zinc/25/54/95/370255495.db2.gz IPQBNYLMVMUKTF-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H]1CCC[NH2+]C1 ZINC000309759206 370255702 /nfs/dbraw/zinc/25/57/02/370255702.db2.gz IHDLZHPFRMLUIP-WOPDTQHZSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C)C1CC[NH2+]CC1 ZINC000309802386 370261869 /nfs/dbraw/zinc/26/18/69/370261869.db2.gz RKUKSLWBGPWUIQ-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000309831901 370266214 /nfs/dbraw/zinc/26/62/14/370266214.db2.gz YSQMRVKDWGGRMO-WOPDTQHZSA-N 2 0 211.353 0.655 20 0 BCADRP C[NH+](C[C@H](O)CNCC[N@@H+](C)C1CC1)C1CC1 ZINC000310530108 370350812 /nfs/dbraw/zinc/35/08/12/370350812.db2.gz NVWPDPUTHVMRDZ-CYBMUJFWSA-N 2 0 241.379 0.125 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000310364554 370340105 /nfs/dbraw/zinc/34/01/05/370340105.db2.gz LNUKMLTWUXMPBR-IUCAKERBSA-N 2 0 249.305 0.427 20 0 BCADRP C[C@@]1(NC(=O)CC[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000621670949 370421978 /nfs/dbraw/zinc/42/19/78/370421978.db2.gz DFSQIGFLKIKSGK-DGCLKSJQSA-N 2 0 239.363 0.634 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621679793 370429539 /nfs/dbraw/zinc/42/95/39/370429539.db2.gz UQYLYUSGWBRYMS-JBLDHEPKSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)[C@H]1CCCC[NH2+]1)C2 ZINC000621685347 370435920 /nfs/dbraw/zinc/43/59/20/370435920.db2.gz CUGGFKHRARXNLR-NQBHXWOUSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)CC[NH2+]C1CC1)C2 ZINC000621681827 370430281 /nfs/dbraw/zinc/43/02/81/370430281.db2.gz XDXMYMCQPLKSBY-GXFFZTMASA-N 2 0 237.347 0.468 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621682161 370431192 /nfs/dbraw/zinc/43/11/92/370431192.db2.gz AELISUWLNNDEDQ-JBLDHEPKSA-N 2 0 225.336 0.454 20 0 BCADRP [NH3+][C@H](C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)C1CCC1 ZINC000621683099 370431291 /nfs/dbraw/zinc/43/12/91/370431291.db2.gz PYGYAVXQBXVTOO-GMXVVIOVSA-N 2 0 237.347 0.454 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621682722 370431550 /nfs/dbraw/zinc/43/15/50/370431550.db2.gz JZNPBRUNUKKDQN-GIPNMCIBSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+]C1(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC000621683516 370432842 /nfs/dbraw/zinc/43/28/42/370432842.db2.gz XDZMARXFFRHJQB-SKDRFNHKSA-N 2 0 223.320 0.208 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1CCC[NH2+]1)C2 ZINC000621683902 370433604 /nfs/dbraw/zinc/43/36/04/370433604.db2.gz DQUWNGJFIAKEIO-SCVCMEIPSA-N 2 0 223.320 0.078 20 0 BCADRP CC(C)([NH3+])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684138 370433670 /nfs/dbraw/zinc/43/36/70/370433670.db2.gz IAPLZAOKDKXZSZ-KWQFWETISA-N 2 0 211.309 0.064 20 0 BCADRP CC(C)([NH3+])CC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684479 370434638 /nfs/dbraw/zinc/43/46/38/370434638.db2.gz NAAURUKSNAJAKY-JOYOIKCWSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621622768 370407765 /nfs/dbraw/zinc/40/77/65/370407765.db2.gz MGIUIYMVNQQOKH-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684433 370434709 /nfs/dbraw/zinc/43/47/09/370434709.db2.gz MISBGPLCMRCVEX-GVXVVHGQSA-N 2 0 239.363 0.700 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684506 370434760 /nfs/dbraw/zinc/43/47/60/370434760.db2.gz NIMLWGATBSDWNQ-XLDPMVHQSA-N 2 0 247.289 0.309 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684515 370434801 /nfs/dbraw/zinc/43/48/01/370434801.db2.gz NOVAWWSAWHQDGF-NQBHXWOUSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621653357 370412831 /nfs/dbraw/zinc/41/28/31/370412831.db2.gz WFUKIYSDNXKIMD-MNOVXSKESA-N 2 0 227.352 0.477 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621653358 370413328 /nfs/dbraw/zinc/41/33/28/370413328.db2.gz WFUKIYSDNXKIMD-QWRGUYRKSA-N 2 0 227.352 0.477 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621656213 370414060 /nfs/dbraw/zinc/41/40/60/370414060.db2.gz JIACMYKEBNGWMT-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621698644 370445022 /nfs/dbraw/zinc/44/50/22/370445022.db2.gz CBNOSMSGDBYFAP-ZANVPECISA-N 2 0 246.314 0.448 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621699911 370445993 /nfs/dbraw/zinc/44/59/93/370445993.db2.gz DQQONNJXVVISQZ-QFOLPQNPSA-N 2 0 223.320 0.064 20 0 BCADRP [NH3+]C1(CC(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621700444 370446157 /nfs/dbraw/zinc/44/61/57/370446157.db2.gz OWWARTZYOIGGSE-CABZTGNLSA-N 2 0 223.320 0.208 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621699907 370446410 /nfs/dbraw/zinc/44/64/10/370446410.db2.gz DQQONNJXVVISQZ-DNRKLUKYSA-N 2 0 223.320 0.064 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621686661 370436761 /nfs/dbraw/zinc/43/67/61/370436761.db2.gz WSBYPNBNJHLYFG-DRZSPHRISA-N 2 0 239.363 0.844 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621690551 370439146 /nfs/dbraw/zinc/43/91/46/370439146.db2.gz VVCIDAKGUUTPGH-WCQYABFASA-N 2 0 239.363 0.668 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(C[C@H]1CCC[NH2+]C1)C2 ZINC000621777300 370525509 /nfs/dbraw/zinc/52/55/09/370525509.db2.gz ABNXYQHTMGUWHA-AVGNSLFASA-N 2 0 223.364 0.799 20 0 BCADRP [NH3+][C@@]12CCC[C@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000621777484 370527571 /nfs/dbraw/zinc/52/75/71/370527571.db2.gz CYFWDHPMYWEGFW-QWHCGFSZSA-N 3 0 223.364 0.799 20 0 BCADRP Cn1cc(CCN2C[C@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000621781959 370531077 /nfs/dbraw/zinc/53/10/77/370531077.db2.gz KLNFDXNHWHKLSL-OLZOCXBDSA-N 2 0 234.347 0.776 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCN2CC[C@H](O)C2)C[C@H](C)O1 ZINC000623838259 371120138 /nfs/dbraw/zinc/12/01/38/371120138.db2.gz MSCCSYOYJUICKP-LOWDOPEQSA-N 2 0 242.363 0.599 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC000569004613 326386455 /nfs/dbraw/zinc/38/64/55/326386455.db2.gz HZSIJAIVKOWWTD-GHMZBOCLSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H](NC(=O)C[NH2+]C1CC1)[C@H]1CCC[NH2+]C1 ZINC000569095025 326389499 /nfs/dbraw/zinc/38/94/99/326389499.db2.gz BSKJMHLWVJIFAH-ZJUUUORDSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@]1(C(=O)N2CCC([NH3+])CC2)CCC[NH2+]1 ZINC000390483618 371206366 /nfs/dbraw/zinc/20/63/66/371206366.db2.gz NTTRIERUNVZIHO-LLVKDONJSA-N 2 0 211.309 0.078 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000366683041 181576953 /nfs/dbraw/zinc/57/69/53/181576953.db2.gz RJXISEQIIWVWTQ-SBFPOUOMSA-N 2 0 237.347 0.372 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)C[C@H]21 ZINC000368610057 181582542 /nfs/dbraw/zinc/58/25/42/181582542.db2.gz CYNFDDZBUJJBTO-KKOKHZNYSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@H](C(N)=O)C2)CC1 ZINC000624129216 371330572 /nfs/dbraw/zinc/33/05/72/371330572.db2.gz DZLRRGZOHRBIPT-UMSPYCQHSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2COCCN2C)CC[N@@H+]1C ZINC000624174264 371365467 /nfs/dbraw/zinc/36/54/67/371365467.db2.gz UVCCXYHPXAQQDR-UPJWGTAASA-N 2 0 241.379 0.389 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)CC[N@@H+]1C ZINC000624219015 371407596 /nfs/dbraw/zinc/40/75/96/371407596.db2.gz IMDQSPQNGIAMSO-WYUUTHIRSA-N 2 0 212.337 0.830 20 0 BCADRP Cc1cncn1CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000627488144 371653938 /nfs/dbraw/zinc/65/39/38/371653938.db2.gz SBNUPEMDDIJWAM-VXGBXAGGSA-N 2 0 248.330 0.354 20 0 BCADRP Cc1cncn1CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000627488143 371654519 /nfs/dbraw/zinc/65/45/19/371654519.db2.gz SBNUPEMDDIJWAM-RYUDHWBXSA-N 2 0 248.330 0.354 20 0 BCADRP C[NH+](C)Cc1ccnc(NC(=O)CCC[NH3+])c1 ZINC000573243901 326437469 /nfs/dbraw/zinc/43/74/69/326437469.db2.gz GVEPDVNVMSKKII-UHFFFAOYSA-N 2 0 236.319 0.821 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627650131 371807566 /nfs/dbraw/zinc/80/75/66/371807566.db2.gz YWNLKMOEVFOAKC-PJXYFTJBSA-N 2 0 239.363 0.347 20 0 BCADRP CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)[NH+](C)C ZINC000627652768 371811687 /nfs/dbraw/zinc/81/16/87/371811687.db2.gz SBLNQJVZHLWDEN-KXNHARMFSA-N 2 0 239.363 0.345 20 0 BCADRP C[C@@H](CNC(=O)C[NH+](C)C)[N@H+](C)C1CC1 ZINC000171103450 372313244 /nfs/dbraw/zinc/31/32/44/372313244.db2.gz RFOCUPDQOUILCB-VIFPVBQESA-N 2 0 213.325 0.147 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C[NH+](C)C ZINC000171179435 372420536 /nfs/dbraw/zinc/42/05/36/372420536.db2.gz MDGBCRGMABBNML-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CCCC[NH+]1CCC(NC(=O)C[NH+](C)C)CC1 ZINC000171192657 372454069 /nfs/dbraw/zinc/45/40/69/372454069.db2.gz QPCYNRZWIGEJHQ-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631825884 372603564 /nfs/dbraw/zinc/60/35/64/372603564.db2.gz XVWWUDNZUBWDPB-CMPLNLGQSA-N 2 0 235.335 0.436 20 0 BCADRP [NH3+]C1(C[NH2+]C[C@@H]2CCc3ncnn32)CCC1 ZINC000631823970 372601792 /nfs/dbraw/zinc/60/17/92/372601792.db2.gz RMFBQQIRWUKIEZ-VIFPVBQESA-N 2 0 221.308 0.236 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631823510 372602561 /nfs/dbraw/zinc/60/25/61/372602561.db2.gz GIOJSSSNXMXXOV-HBNTYKKESA-N 2 0 235.335 0.435 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000631821471 372594818 /nfs/dbraw/zinc/59/48/18/372594818.db2.gz ZCVXRUZGHXJQKZ-PWSUYJOCSA-N 2 0 249.362 0.825 20 0 BCADRP C[N@H+](C[C@H]1CCc2ncnn21)CC(C)(C)C[NH3+] ZINC000631821692 372597600 /nfs/dbraw/zinc/59/76/00/372597600.db2.gz GBMSTNULCAMSOS-SNVBAGLBSA-N 2 0 237.351 0.682 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631822249 372598620 /nfs/dbraw/zinc/59/86/20/372598620.db2.gz XVXBTSSXZSFDLC-QJPTWQEYSA-N 2 0 249.362 0.825 20 0 BCADRP C[N@H+](C[C@@H]1CCc2ncnn21)C1CC([NH3+])C1 ZINC000631826365 372606508 /nfs/dbraw/zinc/60/65/08/372606508.db2.gz LTDVHUMXEKLHGS-KYHHOPLUSA-N 2 0 221.308 0.187 20 0 BCADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000631828748 372609659 /nfs/dbraw/zinc/60/96/59/372609659.db2.gz XIFPKEYTYRNZGT-QJPTWQEYSA-N 2 0 228.336 0.461 20 0 BCADRP [NH3+][C@H]1CCCCCN(CCN2CCOCC2)C1 ZINC000631833920 372618008 /nfs/dbraw/zinc/61/80/08/372618008.db2.gz LMGOJPRNGWNXKP-ZDUSSCGKSA-N 2 0 241.379 0.522 20 0 BCADRP C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000631836761 372625768 /nfs/dbraw/zinc/62/57/68/372625768.db2.gz GKUSJRHXGZINKJ-IJLUTSLNSA-N 2 0 211.353 0.513 20 0 BCADRP CCN(C)C(=O)CC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837528 372629948 /nfs/dbraw/zinc/62/99/48/372629948.db2.gz CLPSELJTNCCIJV-GHMZBOCLSA-N 2 0 227.352 0.381 20 0 BCADRP C[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1C[NH3+] ZINC000631838347 372631845 /nfs/dbraw/zinc/63/18/45/372631845.db2.gz MTGKWWWZHARFAT-GHMZBOCLSA-N 2 0 208.309 0.410 20 0 BCADRP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843439 372640536 /nfs/dbraw/zinc/64/05/36/372640536.db2.gz NSZHXYINTWHVFM-KXUCPTDWSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843440 372641212 /nfs/dbraw/zinc/64/12/12/372641212.db2.gz NSZHXYINTWHVFM-OPRDCNLKSA-N 2 0 225.336 0.180 20 0 BCADRP C(CN1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000631849028 372647219 /nfs/dbraw/zinc/64/72/19/372647219.db2.gz UNHCLMDVCIITLF-WOPDTQHZSA-N 2 0 209.337 0.422 20 0 BCADRP C(CN1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000631852292 372651180 /nfs/dbraw/zinc/65/11/80/372651180.db2.gz JVLFTPIYGNISLC-SDDRHHMPSA-N 2 0 209.337 0.422 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)CC[C@H]1[NH3+] ZINC000631824779 372604010 /nfs/dbraw/zinc/60/40/10/372604010.db2.gz QBDXSEYSPHXPBL-GRYCIOLGSA-N 2 0 249.362 0.825 20 0 BCADRP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000631825864 372604577 /nfs/dbraw/zinc/60/45/77/372604577.db2.gz XKGBHIXTPOEVAX-WHOHXGKFSA-N 2 0 210.321 0.563 20 0 BCADRP CC1(F)CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000631867331 372669759 /nfs/dbraw/zinc/66/97/59/372669759.db2.gz QSTSXIHMAZQPLO-UHFFFAOYSA-N 2 0 229.343 0.716 20 0 BCADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867670 372669811 /nfs/dbraw/zinc/66/98/11/372669811.db2.gz YQZGNRZUZMEVLO-UPJWGTAASA-N 3 0 223.364 0.718 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889126 372685286 /nfs/dbraw/zinc/68/52/86/372685286.db2.gz GCAHCJQGOILUMJ-VXGBXAGGSA-N 3 0 227.352 0.036 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368088479 181976104 /nfs/dbraw/zinc/97/61/04/181976104.db2.gz FOWMZAXFYJHQGG-NEPJUHHUSA-N 2 0 237.347 0.054 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368370667 182017598 /nfs/dbraw/zinc/01/75/98/182017598.db2.gz QTIPFCWVUWHSJM-WOPDTQHZSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000364482290 182028556 /nfs/dbraw/zinc/02/85/56/182028556.db2.gz JWGSACOPFGCBDL-NSHDSACASA-N 2 0 225.336 0.198 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632854292 373192041 /nfs/dbraw/zinc/19/20/41/373192041.db2.gz DPLFGEWGHCXRTN-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]CCC(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000632868363 373198920 /nfs/dbraw/zinc/19/89/20/373198920.db2.gz INDIBROXIHOVOS-JTQLQIEISA-N 2 0 233.315 0.499 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000632878908 373205472 /nfs/dbraw/zinc/20/54/72/373205472.db2.gz QUGVXUIMSNUJDF-WDEREUQCSA-N 2 0 247.342 0.888 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000449608190 205494536 /nfs/dbraw/zinc/49/45/36/205494536.db2.gz FULUUNBHOCHBNP-GARJFASQSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)([NH3+])c1cn(CC[NH+]2CCCC2)nn1 ZINC000069679497 373585138 /nfs/dbraw/zinc/58/51/38/373585138.db2.gz ITWSPETWRQTHIM-UHFFFAOYSA-N 2 0 223.324 0.568 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]2CN)CC[NH2+]1 ZINC000414655864 205768221 /nfs/dbraw/zinc/76/82/21/205768221.db2.gz HUABUNAIJXZJKE-IJLUTSLNSA-N 2 0 211.353 0.798 20 0 BCADRP O=C(NCC[NH+]1CCCCC1)C1CC[NH2+]CC1 ZINC000049575451 182184120 /nfs/dbraw/zinc/18/41/20/182184120.db2.gz XSEBOVUALKGFKV-UHFFFAOYSA-N 2 0 239.363 0.588 20 0 BCADRP O=C(NCC[NH2+]C1CC1)[C@H]1CCCCC[NH2+]1 ZINC000364469651 182189020 /nfs/dbraw/zinc/18/90/20/182189020.db2.gz VFRCBKGUDUKFLY-LLVKDONJSA-N 2 0 225.336 0.387 20 0 BCADRP C[NH2+]CCCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000633952032 373853235 /nfs/dbraw/zinc/85/32/35/373853235.db2.gz OGUDWQWBWRRPTB-SNVBAGLBSA-N 2 0 228.340 0.037 20 0 BCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000131839423 182199605 /nfs/dbraw/zinc/19/96/05/182199605.db2.gz KUOUPIYBLBPUOQ-NWDGAFQWSA-N 2 0 239.363 0.634 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000131839804 182200675 /nfs/dbraw/zinc/20/06/75/182200675.db2.gz KUOUPIYBLBPUOQ-VXGBXAGGSA-N 2 0 239.363 0.634 20 0 BCADRP CC(C)([NH3+])CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634269134 374083465 /nfs/dbraw/zinc/08/34/65/374083465.db2.gz FJZZZBQUOQYVPR-SECBINFHSA-N 2 0 228.340 0.165 20 0 BCADRP CC(C)[C@H]1CN(C(=O)CC[C@H](C)[NH3+])CC[N@@H+]1C ZINC000634300521 374127423 /nfs/dbraw/zinc/12/74/23/374127423.db2.gz BHGWGOOZCCGQCR-NWDGAFQWSA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000634301031 374128376 /nfs/dbraw/zinc/12/83/76/374128376.db2.gz URKKOJFRGJZPFE-NWDGAFQWSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000634301118 374128614 /nfs/dbraw/zinc/12/86/14/374128614.db2.gz XAYHULNCWHJQRU-QJPTWQEYSA-N 2 0 241.379 0.768 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634271837 374086241 /nfs/dbraw/zinc/08/62/41/374086241.db2.gz WQEJTSZRCDBUTF-VHSXEESVSA-N 2 0 228.340 0.165 20 0 BCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000188753232 182251683 /nfs/dbraw/zinc/25/16/83/182251683.db2.gz CEMIEJASAOERIG-LBPRGKRZSA-N 2 0 245.326 0.516 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000418388826 206017925 /nfs/dbraw/zinc/01/79/25/206017925.db2.gz VUUFSOCMILMYTH-MXWKQRLJSA-N 2 0 240.351 0.308 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000044726729 182302863 /nfs/dbraw/zinc/30/28/63/182302863.db2.gz MNRZXWQSIHQOMO-MWLCHTKSSA-N 2 0 223.320 0.091 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C1)c1ccc2c(c1)C[NH2+]C2 ZINC000336548463 182336009 /nfs/dbraw/zinc/33/60/09/182336009.db2.gz FEQRGTAAIMBHGO-LBPRGKRZSA-N 2 0 231.299 0.382 20 0 BCADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000368642311 182345340 /nfs/dbraw/zinc/34/53/40/182345340.db2.gz JXRVHCBMLCJCJH-NLMKBYRWSA-N 2 0 249.358 0.241 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000178408640 134310167 /nfs/dbraw/zinc/31/01/67/134310167.db2.gz BFNGDJMMEZNFHK-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000178735957 134311109 /nfs/dbraw/zinc/31/11/09/134311109.db2.gz MUGONMNJIRCCPC-MNOVXSKESA-N 2 0 225.336 0.420 20 0 BCADRP CCCN(C(=O)C[C@@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000178927151 134313811 /nfs/dbraw/zinc/31/38/11/134313811.db2.gz JWKVWWMSIRFKTB-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP OCC1CC[NH+](CCn2ccnc2)CC1 ZINC000050104680 183041152 /nfs/dbraw/zinc/04/11/52/183041152.db2.gz FLOMVPVBAKXIPB-UHFFFAOYSA-N 2 0 209.293 0.587 20 0 BCADRP OCCOCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300418583 183081955 /nfs/dbraw/zinc/08/19/55/183081955.db2.gz WYEFZKMYSGHMFL-STQMWFEESA-N 2 0 242.363 0.602 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](C)C[NH3+] ZINC000336757738 169002320 /nfs/dbraw/zinc/00/23/20/169002320.db2.gz KFWHVLTYBYABMA-DTWKUNHWSA-N 2 0 201.314 0.215 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000377150266 169002723 /nfs/dbraw/zinc/00/27/23/169002723.db2.gz FGHSMFNHYRMHOO-MWLCHTKSSA-N 2 0 231.315 0.322 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484940 169006899 /nfs/dbraw/zinc/00/68/99/169006899.db2.gz TWGJYSXRARKWDZ-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CC[NH2+]C1 ZINC000236917731 169001900 /nfs/dbraw/zinc/00/19/00/169001900.db2.gz CLDUSONVABYKLN-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH2+]C)C1 ZINC000236762218 169077958 /nfs/dbraw/zinc/07/79/58/169077958.db2.gz NTZVKQWOZFTDSN-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000357421224 169072249 /nfs/dbraw/zinc/07/22/49/169072249.db2.gz SQFICSWDJABNSK-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000359261532 169074010 /nfs/dbraw/zinc/07/40/10/169074010.db2.gz FFFSSEBNDUQQNT-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH3+])C1 ZINC000236764549 169078303 /nfs/dbraw/zinc/07/83/03/169078303.db2.gz PANRKCKJPVFITN-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C[NH3+])C1 ZINC000357234622 169078580 /nfs/dbraw/zinc/07/85/80/169078580.db2.gz CCOAGLCFBMBQAR-RYUDHWBXSA-N 2 0 241.379 0.772 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000226406832 169120414 /nfs/dbraw/zinc/12/04/14/169120414.db2.gz GOWXIQYKFHJLCL-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CCC[NH+](CCC)CCC(=O)N1CC[NH2+]CC1 ZINC000032021953 169148039 /nfs/dbraw/zinc/14/80/39/169148039.db2.gz GROVTQTYJDLAQB-UHFFFAOYSA-N 2 0 241.379 0.930 20 0 BCADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)COC)CC1 ZINC000127328701 169187526 /nfs/dbraw/zinc/18/75/26/169187526.db2.gz BIPTTWDRDJUPFT-CYBMUJFWSA-N 2 0 244.379 0.800 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000040829684 169187789 /nfs/dbraw/zinc/18/77/89/169187789.db2.gz YBXIWKBQDIKTBX-GFCCVEGCSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[NH+]1CCC(NC(=O)CC[NH3+])CC1 ZINC000040829679 169187934 /nfs/dbraw/zinc/18/79/34/169187934.db2.gz JLEUVFCMPRSSMP-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP CCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C)C2)CC1 ZINC000336716337 169190423 /nfs/dbraw/zinc/19/04/23/169190423.db2.gz PZULBTMJRAHGJK-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP CCC[N@@H+]1CCCN(C(=O)C2([NH3+])CC2)CC1 ZINC000370778412 169191445 /nfs/dbraw/zinc/19/14/45/169191445.db2.gz FGEUSXGXRJXMCZ-UHFFFAOYSA-N 2 0 225.336 0.422 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000236764814 169196782 /nfs/dbraw/zinc/19/67/82/169196782.db2.gz YSRAZLGDMHHHJJ-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH3+] ZINC000236765896 169197987 /nfs/dbraw/zinc/19/79/87/169197987.db2.gz XJGDEQPIWFSIIL-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC(N)=O)C1 ZINC000336751239 169207356 /nfs/dbraw/zinc/20/73/56/169207356.db2.gz CESKDRMLDRUDRE-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP CCCNC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112801258 169211473 /nfs/dbraw/zinc/21/14/73/169211473.db2.gz IANYMEOCBPTUNO-MNOVXSKESA-N 2 0 240.351 0.374 20 0 BCADRP CCC[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC000236917928 169257979 /nfs/dbraw/zinc/25/79/79/169257979.db2.gz JYQQRXUCARNHMW-UHFFFAOYSA-N 2 0 215.341 0.442 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000236787390 169258223 /nfs/dbraw/zinc/25/82/23/169258223.db2.gz ZSDNGXBJSFZXMA-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP CCC[NH2+]CCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000236769371 169258683 /nfs/dbraw/zinc/25/86/83/169258683.db2.gz SMFUVLUSVWKNMN-JTQLQIEISA-N 2 0 245.392 0.197 20 0 BCADRP CCC[NH2+]CCNC(=O)C[NH+](CC)CC ZINC000236918384 169258749 /nfs/dbraw/zinc/25/87/49/169258749.db2.gz ZIRHWNPOTLBBMY-UHFFFAOYSA-N 2 0 215.341 0.444 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000134621707 169258935 /nfs/dbraw/zinc/25/89/35/169258935.db2.gz ILQDTSGFIHWROE-GFCCVEGCSA-N 2 0 227.352 0.634 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000377803674 169259255 /nfs/dbraw/zinc/25/92/55/169259255.db2.gz YZCUZMNZELPBFI-NWDGAFQWSA-N 2 0 241.379 0.736 20 0 BCADRP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228071695 169245982 /nfs/dbraw/zinc/24/59/82/169245982.db2.gz VNZZCQQFAZKGFO-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000377144815 169388217 /nfs/dbraw/zinc/38/82/17/169388217.db2.gz KOXIPGLLMNZRPC-OUAUKWLOSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000178815829 134315568 /nfs/dbraw/zinc/31/55/68/134315568.db2.gz BUSXAUUSPSUJSC-LPEHRKFASA-N 2 0 213.325 0.275 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000262430629 169389681 /nfs/dbraw/zinc/38/96/81/169389681.db2.gz JIGNNIVYCGAFIV-VXGBXAGGSA-N 2 0 235.331 0.930 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000362278419 169391768 /nfs/dbraw/zinc/39/17/68/169391768.db2.gz JVIYSYJIAGKVNY-LLVKDONJSA-N 2 0 248.330 0.793 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368648968 169392140 /nfs/dbraw/zinc/39/21/40/169392140.db2.gz YWWYPDLQLVPNFT-ZJUUUORDSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCOC2)CC[N@@H+]1C ZINC000222425388 134332231 /nfs/dbraw/zinc/33/22/31/134332231.db2.gz HBLBHPCEMHISAR-WOPDTQHZSA-N 2 0 228.336 0.210 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193476947 259603599 /nfs/dbraw/zinc/60/35/99/259603599.db2.gz FOLMXAFBLYJHON-OPRDCNLKSA-N 2 0 245.392 0.324 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C[NH+](CC)CC ZINC000359196496 169423114 /nfs/dbraw/zinc/42/31/14/169423114.db2.gz LSVQYFIPGKVOMB-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC000493799398 532966748 /nfs/dbraw/zinc/96/67/48/532966748.db2.gz VBXKHRVHSLRHFD-NXEZZACHSA-N 2 0 227.352 0.748 20 0 BCADRP CO[C@@H](C[NH3+])C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000227351769 134378508 /nfs/dbraw/zinc/37/85/08/134378508.db2.gz AMYJLALQRYKJDY-MNOVXSKESA-N 2 0 245.367 0.053 20 0 BCADRP C[NH+](C)CCCCNC(=O)C(C)(C)C[NH3+] ZINC000045708547 383825848 /nfs/dbraw/zinc/82/58/48/383825848.db2.gz QTCALVJLXXXYOB-UHFFFAOYSA-N 2 0 215.341 0.429 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC[C@@H]1[NH3+] ZINC000648124750 383844634 /nfs/dbraw/zinc/84/46/34/383844634.db2.gz BQPKTWLVLRGTTR-OUAUKWLOSA-N 2 0 241.379 0.946 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368100423 383847981 /nfs/dbraw/zinc/84/79/81/383847981.db2.gz QCPYEPYYOKJHGC-MDZLAQPJSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH+](C)CC1CCN(C(=O)CC[NH3+])CC1 ZINC000037826087 383866372 /nfs/dbraw/zinc/86/63/72/383866372.db2.gz WZTKYIAKXNKLFY-UHFFFAOYSA-N 2 0 213.325 0.135 20 0 BCADRP CC(C)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1=O ZINC000565903222 383918049 /nfs/dbraw/zinc/91/80/49/383918049.db2.gz FXIVCXIOIQWLDF-TUAOUCFPSA-N 2 0 239.363 0.855 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C[NH3+])C1CCCCC1 ZINC000237136589 383925928 /nfs/dbraw/zinc/92/59/28/383925928.db2.gz FJPJHINRGNOZOD-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@H]([NH3+])C(C)C ZINC000131916497 383891028 /nfs/dbraw/zinc/89/10/28/383891028.db2.gz FOXAZRGNTBPOIH-JTQLQIEISA-N 2 0 215.341 0.474 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C(C)(C)[NH3+])C1CC1 ZINC000237187493 383981120 /nfs/dbraw/zinc/98/11/20/383981120.db2.gz JHSUZKBKDZPBEY-SECBINFHSA-N 2 0 213.325 0.180 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H](C)C[NH3+] ZINC000449360919 383981515 /nfs/dbraw/zinc/98/15/15/383981515.db2.gz VXVNGSIOTWHBBP-DTWKUNHWSA-N 2 0 201.314 0.086 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000178598488 383991673 /nfs/dbraw/zinc/99/16/73/383991673.db2.gz AFZSZQGXOSINET-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP CC1(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000564968884 383967464 /nfs/dbraw/zinc/96/74/64/383967464.db2.gz KHDZWZPNUDBGFO-LLVKDONJSA-N 2 0 239.363 0.573 20 0 BCADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000643542397 383967250 /nfs/dbraw/zinc/96/72/50/383967250.db2.gz KOPUKQDLWBUIQB-XQQFMLRXSA-N 2 0 242.363 0.912 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237183314 383976701 /nfs/dbraw/zinc/97/67/01/383976701.db2.gz FOTSMPRDSNGABZ-UTUOFQBUSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000237184698 383977674 /nfs/dbraw/zinc/97/76/74/383977674.db2.gz BAIDJJLIILDQKN-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000449148489 384016176 /nfs/dbraw/zinc/01/61/76/384016176.db2.gz TWVMDNAFDHJIBU-UTUOFQBUSA-N 2 0 241.379 0.973 20 0 BCADRP Cc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc[nH+]1 ZINC000518564854 384016726 /nfs/dbraw/zinc/01/67/26/384016726.db2.gz YKQMKEPDYPSEEP-NWDGAFQWSA-N 2 0 246.314 0.138 20 0 BCADRP C[C@@H](C(=O)N(C)CC[NH+](C)C)[NH+]1CC(C)C1 ZINC000518561131 384009189 /nfs/dbraw/zinc/00/91/89/384009189.db2.gz HBRBCFXVYZYTMZ-NSHDSACASA-N 2 0 227.352 0.347 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449372472 384041771 /nfs/dbraw/zinc/04/17/71/384041771.db2.gz IGKZFQBZMMZBLD-OUAUKWLOSA-N 2 0 227.352 0.748 20 0 BCADRP CC[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221159771 384092429 /nfs/dbraw/zinc/09/24/29/384092429.db2.gz NWMNPVYXQURMMZ-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648129742 384086513 /nfs/dbraw/zinc/08/65/13/384086513.db2.gz BBDWIKGQAWTRKZ-GMTAPVOTSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(C[NH3+])C2)CC[N@@H+]1C ZINC000648130993 384091828 /nfs/dbraw/zinc/09/18/28/384091828.db2.gz RISDCOGZGZQBQE-WZRBSPASSA-N 2 0 239.363 0.524 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000517373041 384063562 /nfs/dbraw/zinc/06/35/62/384063562.db2.gz AHWSRIMKWCYFQZ-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CCCC[NH3+])C[N@@H+]1C1CC1 ZINC000572600399 384080169 /nfs/dbraw/zinc/08/01/69/384080169.db2.gz SLJCYOSURSOSDR-GHMZBOCLSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000648129283 384080660 /nfs/dbraw/zinc/08/06/60/384080660.db2.gz RJDZOLFWTRSUDC-CABZTGNLSA-N 2 0 221.304 0.324 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000648129284 384081308 /nfs/dbraw/zinc/08/13/08/384081308.db2.gz RJDZOLFWTRSUDC-JOYOIKCWSA-N 2 0 221.304 0.324 20 0 BCADRP C[C@@H](O)[C@H](C)[NH2+]C[C@H](O)CN1CCCCC1 ZINC000564976169 384101000 /nfs/dbraw/zinc/10/10/00/384101000.db2.gz SNIDWNKOEMJOCO-TUAOUCFPSA-N 2 0 230.352 0.192 20 0 BCADRP Cc1cnn(C)c1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000336547429 384103984 /nfs/dbraw/zinc/10/39/84/384103984.db2.gz HGDIFNJPURTMLR-TXEJJXNPSA-N 2 0 234.347 0.722 20 0 BCADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCC1([NH3+])CCC1 ZINC000449383127 384109566 /nfs/dbraw/zinc/10/95/66/384109566.db2.gz FGDSNVKJEWEARX-MNOVXSKESA-N 2 0 239.363 0.892 20 0 BCADRP C[N@H+](C[C@H](O)CNC[C@H]1CCC[NH+]1C)C1CC1 ZINC000310226250 384127165 /nfs/dbraw/zinc/12/71/65/384127165.db2.gz GVPFZPCPERZOSH-CHWSQXEVSA-N 2 0 241.379 0.125 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000237400611 384171799 /nfs/dbraw/zinc/17/17/99/384171799.db2.gz XZJXJPHWHVAZMN-VWYCJHECSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[NH3+] ZINC000237400523 384172375 /nfs/dbraw/zinc/17/23/75/384172375.db2.gz VUBDXQQKTXDVAS-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648139940 384168529 /nfs/dbraw/zinc/16/85/29/384168529.db2.gz RMFMSVKFZWIDLZ-ZDCRXTMVSA-N 2 0 225.336 0.371 20 0 BCADRP Cn1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)nn1 ZINC000236104934 384181677 /nfs/dbraw/zinc/18/16/77/384181677.db2.gz BLVFYMOBTRXIFQ-SNVBAGLBSA-N 2 0 223.324 0.376 20 0 BCADRP C[C@@H](C(=O)N(C)C)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336599574 384206852 /nfs/dbraw/zinc/20/68/52/384206852.db2.gz PJVJKXVOIMNZFO-WCQYABFASA-N 2 0 239.363 0.491 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000309455643 384188286 /nfs/dbraw/zinc/18/82/86/384188286.db2.gz NPGSRABAVLCKOQ-NGZCFLSTSA-N 2 0 211.309 0.064 20 0 BCADRP C[C@H]1SCC[N@H+](CCOCC[NH3+])[C@@H]1C ZINC000132515181 384194088 /nfs/dbraw/zinc/19/40/88/384194088.db2.gz KYVKQRLFJKFRRX-NXEZZACHSA-N 2 0 218.366 0.788 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000564937936 384199780 /nfs/dbraw/zinc/19/97/80/384199780.db2.gz QFTPAUSPVJGTOD-XKSSXDPKSA-N 2 0 228.340 0.149 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000564938036 384200296 /nfs/dbraw/zinc/20/02/96/384200296.db2.gz RPEDVJYVUCKBRH-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000237465827 384223133 /nfs/dbraw/zinc/22/31/33/384223133.db2.gz XXVKCKSNENAWES-SNVBAGLBSA-N 2 0 235.331 0.712 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000569558822 384228875 /nfs/dbraw/zinc/22/88/75/384228875.db2.gz URYYUBQEKQYESQ-CHWSQXEVSA-N 2 0 247.342 0.897 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000566214439 384229018 /nfs/dbraw/zinc/22/90/18/384229018.db2.gz RMTJZEFNUMVXEC-BDAKNGLRSA-N 2 0 221.304 0.611 20 0 BCADRP C[C@@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@H](C)[NH3+] ZINC000644164763 384243690 /nfs/dbraw/zinc/24/36/90/384243690.db2.gz KGRJIJNGWKLWKG-DSYKOEDSSA-N 2 0 241.257 0.366 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000644164358 384246512 /nfs/dbraw/zinc/24/65/12/384246512.db2.gz INLPXZLDGXNCKD-DTWKUNHWSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000521042939 384264730 /nfs/dbraw/zinc/26/47/30/384264730.db2.gz YXJVBHGFXIKMGP-OYNCUSHFSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648144485 384264953 /nfs/dbraw/zinc/26/49/53/384264953.db2.gz DRKWJRBDTNJWBI-IUCAKERBSA-N 2 0 249.305 0.475 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCCNc1cc[nH+]cc1 ZINC000569571110 384267878 /nfs/dbraw/zinc/26/78/78/384267878.db2.gz AZENGIRVTHMXTA-JTQLQIEISA-N 2 0 236.319 0.159 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)[C@H]([NH3+])C1CCC1)C(F)F ZINC000569574689 384270514 /nfs/dbraw/zinc/27/05/14/384270514.db2.gz OJYBESFQKGRJRJ-HTQZYQBOSA-N 2 0 235.278 0.213 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)c1coc(C[NH3+])c1 ZINC000569575184 384273872 /nfs/dbraw/zinc/27/38/72/384273872.db2.gz YFPXXBFPDMCMMP-VIFPVBQESA-N 2 0 239.319 0.986 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000187573321 384274729 /nfs/dbraw/zinc/27/47/29/384274729.db2.gz SABIUNKPAKBEAT-WDEREUQCSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H](CNC(=O)C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000237543119 384276236 /nfs/dbraw/zinc/27/62/36/384276236.db2.gz KFLZNSYHAZXXHT-NSHDSACASA-N 2 0 235.331 0.582 20 0 BCADRP C[C@H]1CN(CC[N@@H+]2CC[C@@](C)(C[NH3+])C2)CCO1 ZINC000564986619 384304641 /nfs/dbraw/zinc/30/46/41/384304641.db2.gz AKVOKEAXAJQPCE-STQMWFEESA-N 2 0 241.379 0.378 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CCO1 ZINC000647506736 384306820 /nfs/dbraw/zinc/30/68/20/384306820.db2.gz BCJGYOMFTSRZCK-SRVKXCTJSA-N 2 0 227.352 0.034 20 0 BCADRP C[C@H](C[NH2+][C@@H]1CO[C@@H](C)C1)C[NH+](C)C ZINC000401936150 384313707 /nfs/dbraw/zinc/31/37/07/384313707.db2.gz MSJFKHRPOADUNF-VWYCJHECSA-N 2 0 200.326 0.951 20 0 BCADRP CO[C@]1(C[NH2+]CCCC[NH+](C)C)CCOC1 ZINC000401946313 384316005 /nfs/dbraw/zinc/31/60/05/384316005.db2.gz WGUXLNAZAFKZFK-LBPRGKRZSA-N 2 0 230.352 0.723 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCN1CCCC1=O ZINC000405429523 384317668 /nfs/dbraw/zinc/31/76/68/384317668.db2.gz IZPBSHAQFOLWQL-NXEZZACHSA-N 2 0 225.336 0.324 20 0 BCADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCOC)C1 ZINC000173894848 384281203 /nfs/dbraw/zinc/28/12/03/384281203.db2.gz XGLOMYQLXVPRIO-NSHDSACASA-N 2 0 200.326 0.906 20 0 BCADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CCC[NH3+] ZINC000308785606 384288689 /nfs/dbraw/zinc/28/86/89/384288689.db2.gz FVHVPDSPIUKTQQ-LLVKDONJSA-N 2 0 210.325 0.846 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000647506577 384296965 /nfs/dbraw/zinc/29/69/65/384296965.db2.gz SZJBKPIAPCAEFU-QJPTWQEYSA-N 2 0 227.352 0.034 20 0 BCADRP CC[NH+](CC)CCCNC(=O)C1([NH3+])CC1 ZINC000083347582 384297816 /nfs/dbraw/zinc/29/78/16/384297816.db2.gz LICKUXXLUZEZCX-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000647506564 384298227 /nfs/dbraw/zinc/29/82/27/384298227.db2.gz RZLBQRHDAKBCBF-XQHKEYJVSA-N 3 0 241.379 0.423 20 0 BCADRP CC1(C(=O)N2CC[NH+](CC3CC3)CC2)C[NH2+]C1 ZINC000335496086 384300178 /nfs/dbraw/zinc/30/01/78/384300178.db2.gz KYRWLEFACLINPM-UHFFFAOYSA-N 2 0 237.347 0.150 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCSC2)CC[N@@H+]1C ZINC000158142633 384301517 /nfs/dbraw/zinc/30/15/17/384301517.db2.gz HCVRNASDLQRFFZ-GRYCIOLGSA-N 2 0 244.404 0.927 20 0 BCADRP C[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)[C@H](C)[NH3+] ZINC000248504682 384346614 /nfs/dbraw/zinc/34/66/14/384346614.db2.gz VRRSODKSVUBIRP-VWYCJHECSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)CCCC[NH3+])C[C@@H]1C[NH3+] ZINC000648179699 384348156 /nfs/dbraw/zinc/34/81/56/384348156.db2.gz SKTRYGXJFUCDRP-WOPDTQHZSA-N 2 0 241.379 0.947 20 0 BCADRP c1ncn(CC[NH2+][C@@H]2CCC[NH2+]CC2)n1 ZINC000331497569 384331251 /nfs/dbraw/zinc/33/12/51/384331251.db2.gz NXTFGNCLOOAAES-SNVBAGLBSA-N 2 0 209.297 0.010 20 0 BCADRP COCC[N@H+](C)CCCNC(=O)CC(C)(C)[NH3+] ZINC000178709624 384401272 /nfs/dbraw/zinc/40/12/72/384401272.db2.gz GKACRQKDAAOMCL-UHFFFAOYSA-N 2 0 245.367 0.198 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000040807229 384403456 /nfs/dbraw/zinc/40/34/56/384403456.db2.gz YECDCBKACJOBHJ-QMMMGPOBSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000237769851 384376451 /nfs/dbraw/zinc/37/64/51/384376451.db2.gz LLEFQFFGYPFWEU-JQWIXIFHSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169030847 384389507 /nfs/dbraw/zinc/38/95/07/384389507.db2.gz VTBDKBMVOKAFRD-BBBLOLIVSA-N 2 0 213.325 0.323 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648145870 384447395 /nfs/dbraw/zinc/44/73/95/384447395.db2.gz RYIJWUMOILWDBM-OPRDCNLKSA-N 2 0 213.325 0.180 20 0 BCADRP [NH3+]CC[C@H](NC(=O)C1([NH3+])CCCC1)C(F)F ZINC000648145749 384449507 /nfs/dbraw/zinc/44/95/07/384449507.db2.gz DAAPCXSFYYTAAR-ZETCQYMHSA-N 2 0 235.278 0.357 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)C1([NH3+])CCCC1)C(F)F ZINC000648145748 384449754 /nfs/dbraw/zinc/44/97/54/384449754.db2.gz DAAPCXSFYYTAAR-SSDOTTSWSA-N 2 0 235.278 0.357 20 0 BCADRP CCCN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000565540299 384429835 /nfs/dbraw/zinc/42/98/35/384429835.db2.gz OVKISOPCDVSYRF-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)N(C)C)C1 ZINC000082645449 384438328 /nfs/dbraw/zinc/43/83/28/384438328.db2.gz XYBLZQQHYSDWIU-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP C[NH2+]CCC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000648176413 384473013 /nfs/dbraw/zinc/47/30/13/384473013.db2.gz PDCPMGJIIKUKJU-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H](C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[C@H](C)[NH3+] ZINC000249133983 384497146 /nfs/dbraw/zinc/49/71/46/384497146.db2.gz YKMNVTKAWBMLKZ-UTUOFQBUSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000565598091 384503172 /nfs/dbraw/zinc/50/31/72/384503172.db2.gz YBLKPSZASSIGAP-GARJFASQSA-N 2 0 225.336 0.243 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000037481446 384503920 /nfs/dbraw/zinc/50/39/20/384503920.db2.gz ODDDJQRLEZAEBL-LLVKDONJSA-N 2 0 213.325 0.326 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C[C@H]1[NH3+] ZINC000648176811 384506179 /nfs/dbraw/zinc/50/61/79/384506179.db2.gz ODXPANGRORCVOB-HRDYMLBCSA-N 2 0 247.289 0.037 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180906 384488902 /nfs/dbraw/zinc/48/89/02/384488902.db2.gz TVTUBDDJQNNJAX-LLVKDONJSA-N 2 0 239.363 0.777 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)[C@H]3CCC[NH2+]3)[C@@H]2C1 ZINC000648168916 384491710 /nfs/dbraw/zinc/49/17/10/384491710.db2.gz GYELERMNZDVYQZ-QJPTWQEYSA-N 2 0 237.347 0.291 20 0 BCADRP COC[C@@H](O)C[N@H+](C)CCCn1ccnc1C ZINC000136386768 384493123 /nfs/dbraw/zinc/49/31/23/384493123.db2.gz FZBGYEWVINDHSX-LBPRGKRZSA-N 2 0 241.335 0.521 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C2([NH3+])CCC2)C1 ZINC000148270257 384534572 /nfs/dbraw/zinc/53/45/72/384534572.db2.gz KADKNMWIRXTPKH-NSHDSACASA-N 2 0 239.363 0.811 20 0 BCADRP CNC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150817837 384515071 /nfs/dbraw/zinc/51/50/71/384515071.db2.gz AODAREHLHLHWPK-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CCC[NH2+]1 ZINC000248741099 384518673 /nfs/dbraw/zinc/51/86/73/384518673.db2.gz RERLLMNPELNYRC-DMDPSCGWSA-N 2 0 239.363 0.762 20 0 BCADRP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648147293 384521969 /nfs/dbraw/zinc/52/19/69/384521969.db2.gz CQTGKKLRKOKXBF-KXNHARMFSA-N 2 0 237.347 0.385 20 0 BCADRP CN(C[C@@H]1CCS(=O)(=O)C1)CC(C)(C)C[NH3+] ZINC000569605612 384525831 /nfs/dbraw/zinc/52/58/31/384525831.db2.gz PPZMOVOKDVLSKZ-JTQLQIEISA-N 2 0 248.392 0.338 20 0 BCADRP C[C@]1(CN2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]C1 ZINC000085542331 384529602 /nfs/dbraw/zinc/52/96/02/384529602.db2.gz NDLVENFIAGDJNS-TUAOUCFPSA-N 2 0 210.321 0.849 20 0 BCADRP CC[C@@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000647522911 384545021 /nfs/dbraw/zinc/54/50/21/384545021.db2.gz WDEKUURULKCRIE-CHWSQXEVSA-N 2 0 244.379 0.584 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CCCC[NH3+] ZINC000648177326 384546960 /nfs/dbraw/zinc/54/69/60/384546960.db2.gz SWGGWHZVIXRJCI-SECBINFHSA-N 2 0 215.341 0.605 20 0 BCADRP CC[C@H](C)[C@H](O)C[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000647523849 384559443 /nfs/dbraw/zinc/55/94/43/384559443.db2.gz MXDURJFMMJJZIK-WCFLWFBJSA-N 2 0 244.379 0.438 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH3+])C(C)(C)C)CC[N@@H+]1C ZINC000648177127 384541492 /nfs/dbraw/zinc/54/14/92/384541492.db2.gz JOCBWCMOFWNNDV-MXWKQRLJSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@@H]1CCN(C(=O)CCC(C)(C)[NH3+])C[C@@H]1C[NH3+] ZINC000648177735 384569778 /nfs/dbraw/zinc/56/97/78/384569778.db2.gz RNLQBLWWMHEBEP-MNOVXSKESA-N 2 0 241.379 0.947 20 0 BCADRP C[C@H]1CCN(C(=O)CCC(C)(C)[NH3+])C[C@@H]1C[NH3+] ZINC000648177736 384570069 /nfs/dbraw/zinc/57/00/69/384570069.db2.gz RNLQBLWWMHEBEP-QWRGUYRKSA-N 2 0 241.379 0.947 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000236842275 384590552 /nfs/dbraw/zinc/59/05/52/384590552.db2.gz GWXAIOVHMAQCHP-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000517932835 384577187 /nfs/dbraw/zinc/57/71/87/384577187.db2.gz YRYXKEWBZGPSST-SRVKXCTJSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H]1C[NH+](CCN2CC[NH2+]CC2)C[C@@H]1C ZINC000086010077 384585384 /nfs/dbraw/zinc/58/53/84/384585384.db2.gz LUIRVHQFRPNEGN-RYUDHWBXSA-N 2 0 211.353 0.479 20 0 BCADRP C[C@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@H]1C ZINC000086010075 384587348 /nfs/dbraw/zinc/58/73/48/384587348.db2.gz LUIRVHQFRPNEGN-TXEJJXNPSA-N 2 0 211.353 0.479 20 0 BCADRP CCC[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000171594635 384609850 /nfs/dbraw/zinc/60/98/50/384609850.db2.gz RGDDWXROARUISX-UHFFFAOYSA-N 2 0 200.326 0.785 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(CCOCCO)C1 ZINC000081572273 384623408 /nfs/dbraw/zinc/62/34/08/384623408.db2.gz RRSDQRSRNUWGNK-ZDUSSCGKSA-N 2 0 244.379 0.659 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCCC[NH3+] ZINC000040832456 384596534 /nfs/dbraw/zinc/59/65/34/384596534.db2.gz DCZKKKXQKACDOX-BDAKNGLRSA-N 2 0 201.314 0.215 20 0 BCADRP CC[C@](C)(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)OC ZINC000319905313 384596611 /nfs/dbraw/zinc/59/66/11/384596611.db2.gz QMQYPWQLFJWBCI-IJLUTSLNSA-N 2 0 212.337 0.953 20 0 BCADRP COC[C@H](C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000045695880 384665596 /nfs/dbraw/zinc/66/55/96/384665596.db2.gz WDKAXNKSKSYPSD-NEPJUHHUSA-N 2 0 230.352 0.315 20 0 BCADRP c1ncn([C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647538212 384667952 /nfs/dbraw/zinc/66/79/52/384667952.db2.gz JCSDBFATADXDGK-VXGBXAGGSA-N 2 0 235.335 0.525 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCC[NH2+]1 ZINC000258705774 384635978 /nfs/dbraw/zinc/63/59/78/384635978.db2.gz UVJALTRONOGWOF-QWRGUYRKSA-N 2 0 240.351 0.180 20 0 BCADRP C[C@]1(CN2CC[C@H]3CC[NH2+][C@H]3C2)CC[NH2+]C1 ZINC000647534599 384647207 /nfs/dbraw/zinc/64/72/07/384647207.db2.gz ROYVXWHYHNHRCS-AGIUHOORSA-N 2 0 223.364 0.670 20 0 BCADRP C[NH+](C)CC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363599746 384650206 /nfs/dbraw/zinc/65/02/06/384650206.db2.gz GLURLAQGZJJBAI-WDEREUQCSA-N 2 0 225.336 0.291 20 0 BCADRP CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000044526695 384651040 /nfs/dbraw/zinc/65/10/40/384651040.db2.gz JHYHIZTUEGWBTD-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)Cc1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC000082262501 384654098 /nfs/dbraw/zinc/65/40/98/384654098.db2.gz XJWIBNGVIUFADP-UHFFFAOYSA-N 2 0 247.342 0.794 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000044538765 384658133 /nfs/dbraw/zinc/65/81/33/384658133.db2.gz UXEMOPCRHTUVJA-NWDGAFQWSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449604012 384690653 /nfs/dbraw/zinc/69/06/53/384690653.db2.gz SEJIIKADWZCXSJ-OPRDCNLKSA-N 2 0 229.368 0.863 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000335918578 384700572 /nfs/dbraw/zinc/70/05/72/384700572.db2.gz BMJOMRWKBBTKAI-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[C@H]1CN(C)CCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000648155499 384727174 /nfs/dbraw/zinc/72/71/74/384727174.db2.gz FWXRCUMDZQOMGH-VXGBXAGGSA-N 2 0 239.363 0.537 20 0 BCADRP [NH3+]CCCN1CCC[C@H]1C[NH+]1CCCC1 ZINC000107213588 384780709 /nfs/dbraw/zinc/78/07/09/384780709.db2.gz PTKLDVKOFGRJND-LBPRGKRZSA-N 2 0 211.353 0.895 20 0 BCADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546340 384731183 /nfs/dbraw/zinc/73/11/83/384731183.db2.gz GZULRMIEXIUMRM-AAVRWANBSA-N 3 0 237.391 0.964 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000647546493 384731469 /nfs/dbraw/zinc/73/14/69/384731469.db2.gz MMEVEVGSJUUUQQ-SDDRHHMPSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647546817 384732963 /nfs/dbraw/zinc/73/29/63/384732963.db2.gz CQCLIEKUQGEONU-QCNOEVLYSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](NC[C@@H]2CCC[NH2+]C2)C1 ZINC000647546574 384733063 /nfs/dbraw/zinc/73/30/63/384733063.db2.gz PYRSJFSICPXPJC-QJPTWQEYSA-N 2 0 211.353 0.574 20 0 BCADRP [NH3+][C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000647546820 384733392 /nfs/dbraw/zinc/73/33/92/384733392.db2.gz CTHGXLDBIANFRU-UMSGYPCISA-N 3 0 223.364 0.701 20 0 BCADRP C[C@@H](N[C@H]1C[NH2+]C[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000647546726 384733791 /nfs/dbraw/zinc/73/37/91/384733791.db2.gz YBECZBSTBQTWPA-QNWHQSFQSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1N[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647546815 384734444 /nfs/dbraw/zinc/73/44/44/384734444.db2.gz CQCLIEKUQGEONU-IRCOFANPSA-N 2 0 211.353 0.572 20 0 BCADRP C1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C[NH2+]1 ZINC000647546793 384734684 /nfs/dbraw/zinc/73/46/84/384734684.db2.gz BMVSODYCIXCVSY-YFKTTZPYSA-N 3 0 209.337 0.326 20 0 BCADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647547396 384736220 /nfs/dbraw/zinc/73/62/20/384736220.db2.gz VBKSSLXSFUVILU-KKJSVHSVSA-N 3 0 211.353 0.700 20 0 BCADRP C1[NH2+]C[C@@H]2[C@H]1[C@H]2[NH2+][C@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647547437 384738193 /nfs/dbraw/zinc/73/81/93/384738193.db2.gz WKWFATIMAPTBBG-QKFSQAGISA-N 3 0 221.348 0.182 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648185961 384739143 /nfs/dbraw/zinc/73/91/43/384739143.db2.gz KMBCZGRHGVYJMS-UWVGGRQHSA-N 2 0 225.336 0.372 20 0 BCADRP COC[C@]1(CN[C@H]2C[NH2+]C[C@H](C)C2)CCC[NH2+]1 ZINC000647547522 384740094 /nfs/dbraw/zinc/74/00/94/384740094.db2.gz YGMSQIQZWPRTLH-JHJVBQTASA-N 2 0 241.379 0.343 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648185943 384740764 /nfs/dbraw/zinc/74/07/64/384740764.db2.gz JSABCERGMVVXBL-GARJFASQSA-N 2 0 239.363 0.761 20 0 BCADRP O=C(C[NH2+]C1CC1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648186374 384744935 /nfs/dbraw/zinc/74/49/35/384744935.db2.gz TVVMMMDFBZWQPF-LLVKDONJSA-N 2 0 237.347 0.529 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000648156235 384748423 /nfs/dbraw/zinc/74/84/23/384748423.db2.gz KRSBHHPZMUYQFU-QJPTWQEYSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1CN([C@@H]2C[NH2+]C[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000647547776 384750299 /nfs/dbraw/zinc/75/02/99/384750299.db2.gz DGHXUQNILSYKQO-FVCCEPFGSA-N 2 0 225.380 0.901 20 0 BCADRP C[C@]1(C[NH2+][C@H]2CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC000647548060 384750533 /nfs/dbraw/zinc/75/05/33/384750533.db2.gz UAONZJUIJTTWGU-RYUDHWBXSA-N 3 0 223.364 0.718 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000647547833 384750623 /nfs/dbraw/zinc/75/06/23/384750623.db2.gz HBXXTVMZOUHAJD-SDDRHHMPSA-N 2 0 223.364 0.716 20 0 BCADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CC[NH2+]1 ZINC000335431734 384753061 /nfs/dbraw/zinc/75/30/61/384753061.db2.gz YKUFOCDPJKTVGU-CHWSQXEVSA-N 2 0 245.326 0.433 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000647552115 384757914 /nfs/dbraw/zinc/75/79/14/384757914.db2.gz GQTSKNQIJNBOEP-IRCOFANPSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647552313 384757987 /nfs/dbraw/zinc/75/79/87/384757987.db2.gz QREQBHMVZONOLP-WHOHXGKFSA-N 2 0 211.353 0.715 20 0 BCADRP CCOC[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309984302 384764341 /nfs/dbraw/zinc/76/43/41/384764341.db2.gz XPAWOHQZWSBKQO-NSHDSACASA-N 2 0 230.352 0.458 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000309509229 384764502 /nfs/dbraw/zinc/76/45/02/384764502.db2.gz WVNVYWRJNIDZGF-ZYHUDNBSSA-N 2 0 211.353 0.655 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000648202458 384824483 /nfs/dbraw/zinc/82/44/83/384824483.db2.gz VBTXTXSNNXYTMZ-JTQLQIEISA-N 2 0 247.342 0.902 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000648202442 384825716 /nfs/dbraw/zinc/82/57/16/384825716.db2.gz RSJXSNPNXIMSIW-ZDUSSCGKSA-N 2 0 247.342 0.761 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]CCCC[NH+](C)C ZINC000308583975 384830725 /nfs/dbraw/zinc/83/07/25/384830725.db2.gz QTPGZBXLIVODPC-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP COC(=O)CCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126978452 384834964 /nfs/dbraw/zinc/83/49/64/384834964.db2.gz MOERWAKBVNUDOM-UWVGGRQHSA-N 2 0 214.309 0.609 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000648148126 384835832 /nfs/dbraw/zinc/83/58/32/384835832.db2.gz KTPYUISCMJNMBY-NXEZZACHSA-N 2 0 225.336 0.243 20 0 BCADRP CC1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[NH2+]C1 ZINC000335057580 384789466 /nfs/dbraw/zinc/78/94/66/384789466.db2.gz ITNHPRIXWLTERH-MNOVXSKESA-N 2 0 237.347 0.339 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000038089363 384791093 /nfs/dbraw/zinc/79/10/93/384791093.db2.gz UOFYPLZWXIIIHA-GXSJLCMTSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CCC(C)(C)[NH3+] ZINC000648187869 384800151 /nfs/dbraw/zinc/80/01/51/384800151.db2.gz AFHGLMLJHZAYGV-DTWKUNHWSA-N 2 0 215.341 0.746 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)CCCC[NH3+] ZINC000648190272 384802188 /nfs/dbraw/zinc/80/21/88/384802188.db2.gz MADHTJRPTAVKIO-RKDXNWHRSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000648190354 384803013 /nfs/dbraw/zinc/80/30/13/384803013.db2.gz SZDPDOUGGCGAAP-AXFHLTTASA-N 2 0 227.352 0.761 20 0 BCADRP CC[N@H+](C[C@@H](O)CN(C)C1CC1)C[C@H](C)OC ZINC000361557466 384812031 /nfs/dbraw/zinc/81/20/31/384812031.db2.gz AIFSCRIMCZQBAB-AAEUAGOBSA-N 2 0 244.379 0.798 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CC[NH2+]C(C)C ZINC000557191532 384872214 /nfs/dbraw/zinc/87/22/14/384872214.db2.gz ISDMVINXXQLACN-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000648162446 384889813 /nfs/dbraw/zinc/88/98/13/384889813.db2.gz HPOTUBQRBBOIOE-OBJOEFQTSA-N 2 0 249.358 0.339 20 0 BCADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000648162445 384889878 /nfs/dbraw/zinc/88/98/78/384889878.db2.gz HPOTUBQRBBOIOE-MBNYWOFBSA-N 2 0 249.358 0.339 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000262652739 384841601 /nfs/dbraw/zinc/84/16/01/384841601.db2.gz BAIDJJLIILDQKN-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423379337 384847913 /nfs/dbraw/zinc/84/79/13/384847913.db2.gz XEXITHFQPPIKLN-USZNOCQGSA-N 2 0 211.353 0.986 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648210079 384849470 /nfs/dbraw/zinc/84/94/70/384849470.db2.gz JKJMGLZWHYDKPA-GHMZBOCLSA-N 2 0 239.363 0.905 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000557171467 384861563 /nfs/dbraw/zinc/86/15/63/384861563.db2.gz PXQAWTLHNGSSIC-LLVKDONJSA-N 2 0 227.352 0.634 20 0 BCADRP C[NH+](C)CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000127462556 384868326 /nfs/dbraw/zinc/86/83/26/384868326.db2.gz UORBHYOSRKJLGJ-NSHDSACASA-N 2 0 213.325 0.196 20 0 BCADRP CC(C)CCC[NH2+]C[C@H]1CNCCN1C ZINC000258936570 384951364 /nfs/dbraw/zinc/95/13/64/384951364.db2.gz PEEAMTGUZJNCSE-LBPRGKRZSA-N 2 0 213.369 0.916 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000647613734 384956248 /nfs/dbraw/zinc/95/62/48/384956248.db2.gz MYXGEFYTJXEYCL-OUAUKWLOSA-N 2 0 225.336 0.147 20 0 BCADRP CO[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1OC ZINC000234843082 384894811 /nfs/dbraw/zinc/89/48/11/384894811.db2.gz CCDAAYUFQMJVBN-QNWHQSFQSA-N 2 0 242.363 0.720 20 0 BCADRP CC(C)C[C@@H]([NH3+])c1noc(COCC[NH3+])n1 ZINC000647129992 384909066 /nfs/dbraw/zinc/90/90/66/384909066.db2.gz UUFGWWZPYNPLDQ-MRVPVSSYSA-N 2 0 228.296 0.591 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000187177056 384919122 /nfs/dbraw/zinc/91/91/22/384919122.db2.gz KEBILYWIDAYUIB-SECBINFHSA-N 2 0 234.303 0.393 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000257362134 384923703 /nfs/dbraw/zinc/92/37/03/384923703.db2.gz JDVNFTZJPCEBFT-GARJFASQSA-N 2 0 223.320 0.030 20 0 BCADRP CC[C@@H](O)C[NH2+]CCC[N@H+](C)CCOC ZINC000644520903 384927049 /nfs/dbraw/zinc/92/70/49/384927049.db2.gz UQBYSTDWSNTNLW-LLVKDONJSA-N 2 0 218.341 0.315 20 0 BCADRP C[NH2+]Cc1cccc(NC(=O)CC[NH3+])c1 ZINC000237106295 384929069 /nfs/dbraw/zinc/92/90/69/384929069.db2.gz HBISZJPPTPGZGL-UHFFFAOYSA-N 2 0 207.277 0.693 20 0 BCADRP C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C)C1C[NH2+]C1 ZINC000226078112 384938860 /nfs/dbraw/zinc/93/88/60/384938860.db2.gz DHXDSSZUGFKCSQ-GXSJLCMTSA-N 2 0 225.336 0.052 20 0 BCADRP CN1CC[NH2+]C[C@@H]1CNCc1ccc(F)cc1 ZINC000258818587 384939224 /nfs/dbraw/zinc/93/92/24/384939224.db2.gz CEFDCDQDTMZKOZ-CYBMUJFWSA-N 2 0 237.322 0.819 20 0 BCADRP CCN(C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCOC1 ZINC000310280995 384939294 /nfs/dbraw/zinc/93/92/94/384939294.db2.gz POHDBYPEHLQMCF-STQMWFEESA-N 2 0 242.363 0.552 20 0 BCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)C[NH3+] ZINC000335616441 384969383 /nfs/dbraw/zinc/96/93/83/384969383.db2.gz GVAMPWRXRGOHGJ-GHMZBOCLSA-N 2 0 242.367 0.315 20 0 BCADRP CC[C@@H](O)C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000644562677 384969394 /nfs/dbraw/zinc/96/93/94/384969394.db2.gz GJXZVRBKMQLRSP-CHWSQXEVSA-N 2 0 243.395 0.230 20 0 BCADRP C[C@@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C ZINC000644574351 384977267 /nfs/dbraw/zinc/97/72/67/384977267.db2.gz RYRCEPVKACOUDX-NXEZZACHSA-N 2 0 202.342 0.933 20 0 BCADRP CC[C@]1(C(=O)N2CC[NH2+]C(C)(C)C2)CCC[NH2+]1 ZINC000335627944 384978790 /nfs/dbraw/zinc/97/87/90/384978790.db2.gz WPKJOVZIJFKMBG-CYBMUJFWSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000518373034 385001000 /nfs/dbraw/zinc/00/10/00/385001000.db2.gz MKMNZDBXTCBXAO-JQWIXIFHSA-N 2 0 235.331 0.410 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC000648148570 385001506 /nfs/dbraw/zinc/00/15/06/385001506.db2.gz PNJFAKWKLFDGNI-NOOOWODRSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000648148533 385001695 /nfs/dbraw/zinc/00/16/95/385001695.db2.gz NMUVAYNPRDJVPK-ZJUUUORDSA-N 2 0 227.352 0.748 20 0 BCADRP C[NH+](C)CC[C@H](NC(=O)C[NH3+])C(C)(C)C ZINC000236986203 385002513 /nfs/dbraw/zinc/00/25/13/385002513.db2.gz UFFULHQXGUOSTM-VIFPVBQESA-N 2 0 215.341 0.428 20 0 BCADRP c1cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)sn1 ZINC000404441780 385006014 /nfs/dbraw/zinc/00/60/14/385006014.db2.gz HSAYENUOWWBWAW-RKDXNWHRSA-N 2 0 209.318 0.794 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000226394887 385008779 /nfs/dbraw/zinc/00/87/79/385008779.db2.gz AUGYUSCLOPLOFF-CMPLNLGQSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000648148696 385009869 /nfs/dbraw/zinc/00/98/69/385009869.db2.gz XIBMRMMTNZHKJZ-VHSXEESVSA-N 2 0 225.336 0.324 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000648148585 385010585 /nfs/dbraw/zinc/01/05/85/385010585.db2.gz PXQWUJXNACGMOL-GRYCIOLGSA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000364115112 385013499 /nfs/dbraw/zinc/01/34/99/385013499.db2.gz HRZISQUVILOMJW-WRWGMCAJSA-N 2 0 237.347 0.467 20 0 BCADRP COC[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000304652274 385018635 /nfs/dbraw/zinc/01/86/35/385018635.db2.gz YMRPGZHHAISFQX-VXGBXAGGSA-N 2 0 227.352 0.001 20 0 BCADRP C[C@@H](O)C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000644561685 384961258 /nfs/dbraw/zinc/96/12/58/384961258.db2.gz DZQDKJRUHMHPKS-VXGBXAGGSA-N 2 0 241.379 0.125 20 0 BCADRP CC[C@H](C(=O)N1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000189021696 385066342 /nfs/dbraw/zinc/06/63/42/385066342.db2.gz AMFJPGXWRVUKLI-NXEZZACHSA-N 2 0 213.325 0.147 20 0 BCADRP C(C[N@@H+]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000051919460 385068444 /nfs/dbraw/zinc/06/84/44/385068444.db2.gz AGVALAQGYAASBY-LBPRGKRZSA-N 2 0 211.353 0.671 20 0 BCADRP C[C@@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000644663773 385075188 /nfs/dbraw/zinc/07/51/88/385075188.db2.gz KUWZTGROCPFXFF-SNVBAGLBSA-N 2 0 212.337 0.974 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000423593187 385034955 /nfs/dbraw/zinc/03/49/55/385034955.db2.gz MLQNHNKTRQNJFD-YFKTTZPYSA-N 2 0 241.379 0.992 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000310411376 385046472 /nfs/dbraw/zinc/04/64/72/385046472.db2.gz WUWOIVASYZMEOW-DTWKUNHWSA-N 2 0 249.305 0.522 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000646985486 385110720 /nfs/dbraw/zinc/11/07/20/385110720.db2.gz AFTHSMYHUUDHNJ-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2CCC[NH2+]CC2)CCC1 ZINC000646984868 385111602 /nfs/dbraw/zinc/11/16/02/385111602.db2.gz BGNCZJXLCWQFPI-SECBINFHSA-N 2 0 211.309 0.126 20 0 BCADRP [NH3+][C@@H](C(=O)N[C@H]1CCC[NH2+]CC1)C1CCC1 ZINC000646985257 385111789 /nfs/dbraw/zinc/11/17/89/385111789.db2.gz VIDZKSLIMPXVOL-WDEREUQCSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[NH2+]CC1)[C@@H](C)[NH3+] ZINC000646985294 385112226 /nfs/dbraw/zinc/11/22/26/385112226.db2.gz WYDLCMBBOKJPJG-UTUOFQBUSA-N 2 0 241.379 0.864 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000646983402 385115240 /nfs/dbraw/zinc/11/52/40/385115240.db2.gz PUGJVKLINDWHSO-HTQZYQBOSA-N 2 0 235.278 0.227 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646988373 385118266 /nfs/dbraw/zinc/11/82/66/385118266.db2.gz NWKBEIKDGFDPCV-DCAQKATOSA-N 2 0 225.336 0.243 20 0 BCADRP CC1([NH3+])CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000646993523 385123409 /nfs/dbraw/zinc/12/34/09/385123409.db2.gz ZVLUNOOQAQJGMW-UHFFFAOYSA-N 2 0 211.309 0.208 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CCC(C)([NH3+])CC1 ZINC000646993646 385123855 /nfs/dbraw/zinc/12/38/55/385123855.db2.gz CKAAOGMAGIAVTR-LBPRGKRZSA-N 2 0 227.352 0.844 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC(C)([NH3+])CC1)[C@@H](C)[NH3+] ZINC000646993373 385124051 /nfs/dbraw/zinc/12/40/51/385124051.db2.gz TWHUOYCVLZCMQQ-MNOVXSKESA-N 2 0 241.379 0.946 20 0 BCADRP CC1([NH3+])CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000646991525 385125275 /nfs/dbraw/zinc/12/52/75/385125275.db2.gz CYMZRGZTGQKZKT-UHFFFAOYSA-N 2 0 225.336 0.598 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061610894 385126628 /nfs/dbraw/zinc/12/66/28/385126628.db2.gz GKIRDGFRYGYFKH-ZDUSSCGKSA-N 2 0 249.358 0.797 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000646998060 385128218 /nfs/dbraw/zinc/12/82/18/385128218.db2.gz FSVYRNILOOPCIB-FIQHERPVSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000157265989 385129505 /nfs/dbraw/zinc/12/95/05/385129505.db2.gz OKLPOLJOSDOFNG-QJPTWQEYSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000157265882 385131673 /nfs/dbraw/zinc/13/16/73/385131673.db2.gz OKLPOLJOSDOFNG-IJLUTSLNSA-N 2 0 239.363 0.727 20 0 BCADRP COCCC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000566245210 385134367 /nfs/dbraw/zinc/13/43/67/385134367.db2.gz KRCCDXCOWXCIPI-LBPRGKRZSA-N 2 0 242.363 0.710 20 0 BCADRP [NH3+]CC1(CC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000646996546 385135268 /nfs/dbraw/zinc/13/52/68/385135268.db2.gz HKTZBNKGSTUZOM-NXEZZACHSA-N 2 0 225.336 0.502 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000647001777 385136763 /nfs/dbraw/zinc/13/67/63/385136763.db2.gz YEJXWUPCUIOXNE-UTUOFQBUSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000647001747 385137352 /nfs/dbraw/zinc/13/73/52/385137352.db2.gz UPZHEKNMAPJAMQ-MXWKQRLJSA-N 2 0 225.336 0.243 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000157286470 385137973 /nfs/dbraw/zinc/13/79/73/385137973.db2.gz YABOFKWGGPVFSE-VHSXEESVSA-N 2 0 245.392 0.229 20 0 BCADRP CC[C@H]1CN(C(=O)C2(C)C[NH2+]C2)CC[C@H]1[NH3+] ZINC000647005487 385139548 /nfs/dbraw/zinc/13/95/48/385139548.db2.gz AMYXQRJRYZAAAO-VHSXEESVSA-N 2 0 225.336 0.182 20 0 BCADRP CC[C@H]1CN(C(=O)C2([NH3+])CCC2)CC[C@@H]1[NH3+] ZINC000647006128 385139683 /nfs/dbraw/zinc/13/96/83/385139683.db2.gz LJDWMCACCGZWTP-UWVGGRQHSA-N 2 0 225.336 0.454 20 0 BCADRP CC[C@@H]1CN(C(=O)CC[C@@H](C)[NH3+])CC[C@H]1[NH3+] ZINC000647014955 385139699 /nfs/dbraw/zinc/13/96/99/385139699.db2.gz DHDKMPVDWTURGS-GMTAPVOTSA-N 2 0 227.352 0.700 20 0 BCADRP CC[C@@H]1CN(C(=O)CC[NH2+]C(C)C)CC[C@H]1[NH3+] ZINC000647015649 385139762 /nfs/dbraw/zinc/13/97/62/385139762.db2.gz WQXAWSYHIJBFKV-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@]2(C)CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000647014945 385139950 /nfs/dbraw/zinc/13/99/50/385139950.db2.gz DECBJGLALCWERW-WZRBSPASSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H]1CN(C(=O)C2([NH3+])CCC2)CC[C@@H]1[NH3+] ZINC000647006130 385139977 /nfs/dbraw/zinc/13/99/77/385139977.db2.gz LJDWMCACCGZWTP-ZJUUUORDSA-N 2 0 225.336 0.454 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC[C@@H]1[NH3+] ZINC000647015245 385140397 /nfs/dbraw/zinc/14/03/97/385140397.db2.gz LDCWXVAFNMMSAM-DBIOUOCHSA-N 2 0 227.352 0.556 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000367653496 385086465 /nfs/dbraw/zinc/08/64/65/385086465.db2.gz NVENDTGKBSCHKK-JTQLQIEISA-N 2 0 225.336 0.278 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646969314 385095507 /nfs/dbraw/zinc/09/55/07/385095507.db2.gz QLPYQPNFVUYCJY-DVVUODLYSA-N 2 0 225.336 0.086 20 0 BCADRP [NH3+]C1(c2noc(C[C@H]3CC[NH2+]C3)n2)CCCC1 ZINC000647137448 385102605 /nfs/dbraw/zinc/10/26/05/385102605.db2.gz FHOLPNBDCPCKGC-SECBINFHSA-N 2 0 236.319 0.950 20 0 BCADRP CC[C@H]1CN(C(=O)CC[NH2+]C(C)C)CC[C@@H]1[NH3+] ZINC000647015648 385141122 /nfs/dbraw/zinc/14/11/22/385141122.db2.gz WQXAWSYHIJBFKV-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647054995 385201491 /nfs/dbraw/zinc/20/14/91/385201491.db2.gz HFBMWGACVKOFMS-NXEZZACHSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000647047082 385183185 /nfs/dbraw/zinc/18/31/85/385183185.db2.gz CCVDDALEEXFRHU-GMTAPVOTSA-N 2 0 227.352 0.463 20 0 BCADRP [NH3+]C1(CC(=O)N[C@H]2CC23CC[NH2+]CC3)CCC1 ZINC000647055186 385195070 /nfs/dbraw/zinc/19/50/70/385195070.db2.gz OFDGUMUSLQAOHX-JTQLQIEISA-N 2 0 237.347 0.516 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)co1 ZINC000647055188 385195630 /nfs/dbraw/zinc/19/56/30/385195630.db2.gz OIJWOAWNPCPMRA-LLVKDONJSA-N 2 0 249.314 0.610 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647055423 385195871 /nfs/dbraw/zinc/19/58/71/385195871.db2.gz YWZCZXKBPKJOEO-AXFHLTTASA-N 2 0 237.347 0.243 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CCC1 ZINC000647055943 385198803 /nfs/dbraw/zinc/19/88/03/385198803.db2.gz LLEBSSMGLZDERV-SECBINFHSA-N 2 0 223.320 0.126 20 0 BCADRP [NH3+]C[C@@H]1CCCN1C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449131698 385199410 /nfs/dbraw/zinc/19/94/10/385199410.db2.gz OXDHHHBVXOGLFW-WOPDTQHZSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH3+])o2)CC[NH2+]1 ZINC000647018089 385143491 /nfs/dbraw/zinc/14/34/91/385143491.db2.gz CMPIJFGOJKSMHI-IUCAKERBSA-N 2 0 237.303 0.609 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC[NH2+]1 ZINC000647018269 385144002 /nfs/dbraw/zinc/14/40/02/385144002.db2.gz XXISXMFDCGHXAC-UZWSLXQKSA-N 2 0 237.347 0.243 20 0 BCADRP CCOC[C@@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000564859039 385144632 /nfs/dbraw/zinc/14/46/32/385144632.db2.gz BZIKNAVQUVJEBF-ZDUSSCGKSA-N 2 0 249.314 0.821 20 0 BCADRP CC[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1[NH3+] ZINC000647012654 385145111 /nfs/dbraw/zinc/14/51/11/385145111.db2.gz YARQDZLOTULLDC-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@H]([NH3+])CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000647021014 385150559 /nfs/dbraw/zinc/15/05/59/385150559.db2.gz VWZNOPCEWNTHTE-IUCAKERBSA-N 2 0 221.304 0.783 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000647021015 385150649 /nfs/dbraw/zinc/15/06/49/385150649.db2.gz VWZNOPCEWNTHTE-RKDXNWHRSA-N 2 0 221.304 0.783 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000647021012 385151461 /nfs/dbraw/zinc/15/14/61/385151461.db2.gz VWZNOPCEWNTHTE-BDAKNGLRSA-N 2 0 221.304 0.783 20 0 BCADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](C)[NH3+])cc1 ZINC000647021013 385151847 /nfs/dbraw/zinc/15/18/47/385151847.db2.gz VWZNOPCEWNTHTE-DTWKUNHWSA-N 2 0 221.304 0.783 20 0 BCADRP C[C@H]([NH3+])CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000647023355 385157552 /nfs/dbraw/zinc/15/75/52/385157552.db2.gz YGMHKMMXGZHFNS-CMPLNLGQSA-N 2 0 235.331 0.930 20 0 BCADRP C[C@H]([NH3+])CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000647023356 385157630 /nfs/dbraw/zinc/15/76/30/385157630.db2.gz YGMHKMMXGZHFNS-JQWIXIFHSA-N 2 0 235.331 0.930 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000647026432 385160259 /nfs/dbraw/zinc/16/02/59/385160259.db2.gz SYBPYDUWHRWLQN-SRVKXCTJSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000647030294 385162292 /nfs/dbraw/zinc/16/22/92/385162292.db2.gz MXARHJKXXFKQSY-CMPLNLGQSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CC[NH3+] ZINC000165644828 385169504 /nfs/dbraw/zinc/16/95/04/385169504.db2.gz XGJUAEBZOTWWRD-CYBMUJFWSA-N 2 0 249.358 0.624 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000647036199 385173138 /nfs/dbraw/zinc/17/31/38/385173138.db2.gz XRSLXOMPXBLXRV-NAKRPEOUSA-N 2 0 243.326 0.143 20 0 BCADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000647054925 385201267 /nfs/dbraw/zinc/20/12/67/385201267.db2.gz CUYMINXLVRNXMH-MISXGVKJSA-N 2 0 249.358 0.244 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647054998 385201314 /nfs/dbraw/zinc/20/13/14/385201314.db2.gz HFBMWGACVKOFMS-ZJUUUORDSA-N 2 0 225.336 0.372 20 0 BCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC000178205681 385206887 /nfs/dbraw/zinc/20/68/87/385206887.db2.gz OWZNLGOPBBLUIY-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000647063830 385207026 /nfs/dbraw/zinc/20/70/26/385207026.db2.gz VFZPGVZCJMLIGV-QWRGUYRKSA-N 2 0 227.352 0.762 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000019411838 385207141 /nfs/dbraw/zinc/20/71/41/385207141.db2.gz LQUWWSOJUWHJDJ-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000647064685 385209937 /nfs/dbraw/zinc/20/99/37/385209937.db2.gz PFYXVCANMDKJOM-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP CO[C@@H](C[NH3+])CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000521046436 385212962 /nfs/dbraw/zinc/21/29/62/385212962.db2.gz OYLIYEPHIBHPHR-GHMZBOCLSA-N 2 0 243.351 0.080 20 0 BCADRP CO[C@@H](C[NH3+])CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000521046439 385212977 /nfs/dbraw/zinc/21/29/77/385212977.db2.gz OYLIYEPHIBHPHR-WDEREUQCSA-N 2 0 243.351 0.080 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647068792 385215494 /nfs/dbraw/zinc/21/54/94/385215494.db2.gz UOESANWQCQUEKB-IACCCYARSA-N 2 0 239.363 0.759 20 0 BCADRP COCCOCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252713569 385217493 /nfs/dbraw/zinc/21/74/93/385217493.db2.gz PNOPSKRGRTVZFD-VXGBXAGGSA-N 2 0 230.352 0.579 20 0 BCADRP [NH3+]CC[C@H](NC(=O)c1ccc(C[NH3+])o1)C(F)F ZINC000647072022 385218380 /nfs/dbraw/zinc/21/83/80/385218380.db2.gz PTHPVVCJXMDXQC-ZETCQYMHSA-N 2 0 247.245 0.451 20 0 BCADRP C[NH+](C)CCNC(=O)CC1CC[NH2+]CC1 ZINC000019437246 385222324 /nfs/dbraw/zinc/22/23/24/385222324.db2.gz RNVMQKVVNFTFIV-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP CC[N@H+](CCN1CC[NH2+]CC1)CC1CC1 ZINC000068947141 385228631 /nfs/dbraw/zinc/22/86/31/385228631.db2.gz AYOJRTOIQRGUCF-UHFFFAOYSA-N 2 0 211.353 0.624 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404996613 385231975 /nfs/dbraw/zinc/23/19/75/385231975.db2.gz XCOQBVZLWQTXIJ-QWRGUYRKSA-N 2 0 227.352 0.666 20 0 BCADRP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[NH2+]2)CCCC1 ZINC000110374318 385232589 /nfs/dbraw/zinc/23/25/89/385232589.db2.gz QUUCDXKJZUDXHA-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404996609 385232713 /nfs/dbraw/zinc/23/27/13/385232713.db2.gz XCOQBVZLWQTXIJ-MNOVXSKESA-N 2 0 227.352 0.666 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)[C@H]2C1 ZINC000569124542 385240745 /nfs/dbraw/zinc/24/07/45/385240745.db2.gz SJMYKKQYBBYCML-YFKTTZPYSA-N 2 0 237.347 0.276 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246919032 385257564 /nfs/dbraw/zinc/25/75/64/385257564.db2.gz MOBNGBUJBDDESE-QJPTWQEYSA-N 2 0 237.347 0.420 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000647082939 385243633 /nfs/dbraw/zinc/24/36/33/385243633.db2.gz VGEUBYPVEXGGCP-MNOVXSKESA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000647082938 385244162 /nfs/dbraw/zinc/24/41/62/385244162.db2.gz VGEUBYPVEXGGCP-GHMZBOCLSA-N 2 0 225.336 0.230 20 0 BCADRP CCOC[C@@H]1CC[N@H+](CCC[NH2+]C)C1 ZINC000308891020 385245686 /nfs/dbraw/zinc/24/56/86/385245686.db2.gz WTIVKCPGYFCCJH-LLVKDONJSA-N 2 0 200.326 0.954 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC([NH3+])CC1 ZINC000157680464 385246666 /nfs/dbraw/zinc/24/66/66/385246666.db2.gz VBHISGLZOXTYOC-JTQLQIEISA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000647086893 385251626 /nfs/dbraw/zinc/25/16/26/385251626.db2.gz SHNBZNYKLYMITM-GRYCIOLGSA-N 2 0 239.363 0.429 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647060476 385203696 /nfs/dbraw/zinc/20/36/96/385203696.db2.gz AWYKALAIPSFFIY-OUAUKWLOSA-N 2 0 225.336 0.182 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058143 385204802 /nfs/dbraw/zinc/20/48/02/385204802.db2.gz QDBKLYLJACOMOS-UWVGGRQHSA-N 2 0 231.315 0.144 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178589429 385304158 /nfs/dbraw/zinc/30/41/58/385304158.db2.gz YYXZIYHYZXFPNO-UWVGGRQHSA-N 2 0 213.325 0.167 20 0 BCADRP C[NH+](C)C[C@H](O)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157931918 385313199 /nfs/dbraw/zinc/31/31/99/385313199.db2.gz FHYHZIZHPBDJHO-YNEHKIRRSA-N 2 0 241.379 0.125 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1CC12C[NH2+]C2 ZINC000364219607 385262752 /nfs/dbraw/zinc/26/27/52/385262752.db2.gz KEQGCPQYFNSWJN-DCAQKATOSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000227881353 385268526 /nfs/dbraw/zinc/26/85/26/385268526.db2.gz FWOAMLOFZJKVCD-TUAOUCFPSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H](O)CC[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000308902937 385273114 /nfs/dbraw/zinc/27/31/14/385273114.db2.gz JKSYKVNKAUJOBA-WDEREUQCSA-N 2 0 200.326 0.689 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000237048464 385273218 /nfs/dbraw/zinc/27/32/18/385273218.db2.gz BAIDJJLIILDQKN-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000237046738 385274754 /nfs/dbraw/zinc/27/47/54/385274754.db2.gz BAIDJJLIILDQKN-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]C1(c2noc(CC[C@H]3CC[NH2+]C3)n2)CCC1 ZINC000647140950 385278543 /nfs/dbraw/zinc/27/85/43/385278543.db2.gz HXRACMKBKAIPGG-VIFPVBQESA-N 2 0 236.319 0.950 20 0 BCADRP CCCN(C(=O)C[C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000189905894 385323107 /nfs/dbraw/zinc/32/31/07/385323107.db2.gz QNWHSOIBGDYYSO-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000336407576 385280130 /nfs/dbraw/zinc/28/01/30/385280130.db2.gz MHNILQGHCJXOQJ-NWDGAFQWSA-N 2 0 237.347 0.435 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000647650205 385285990 /nfs/dbraw/zinc/28/59/90/385285990.db2.gz RVFKLANAFHPZLP-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+][C@H](C)Cc1noc(-c2ccc(C[NH3+])o2)n1 ZINC000647141973 385292643 /nfs/dbraw/zinc/29/26/43/385292643.db2.gz DBCDIRLSIPUOTQ-SSDOTTSWSA-N 2 0 236.275 0.939 20 0 BCADRP CCC[C@H](C)C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000308957624 385323844 /nfs/dbraw/zinc/32/38/44/385323844.db2.gz XXSACYMKEGZAGW-AXFHLTTASA-N 2 0 200.326 0.593 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000164959168 385329494 /nfs/dbraw/zinc/32/94/94/385329494.db2.gz FIFDPUWAZYWIIA-JQWIXIFHSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000164959489 385330873 /nfs/dbraw/zinc/33/08/73/385330873.db2.gz FIFDPUWAZYWIIA-ZYHUDNBSSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089245 385332652 /nfs/dbraw/zinc/33/26/52/385332652.db2.gz WPATXAAHLJOCHQ-RKDXNWHRSA-N 2 0 201.314 0.036 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCC(CC[NH3+])CC1 ZINC000517035478 385337374 /nfs/dbraw/zinc/33/73/74/385337374.db2.gz KDJLUSAWDHMEDY-NXEZZACHSA-N 2 0 242.367 0.493 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC[N@H+](C)CC1 ZINC000165054933 385340490 /nfs/dbraw/zinc/34/04/90/385340490.db2.gz DWKBEMISORJQTD-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000178867001 385340817 /nfs/dbraw/zinc/34/08/17/385340817.db2.gz AEDKBIUBNWOWIL-DJLDLDEBSA-N 2 0 211.309 0.075 20 0 BCADRP C[NH2+]Cc1ccccc1NC(=O)COCC[NH3+] ZINC000647654971 385344990 /nfs/dbraw/zinc/34/49/90/385344990.db2.gz FMLSPINGRJYULG-UHFFFAOYSA-N 2 0 237.303 0.320 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000165153612 385355157 /nfs/dbraw/zinc/35/51/57/385355157.db2.gz GMOYIRSGNOWZFR-MNOVXSKESA-N 2 0 227.352 0.522 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000131827384 385362437 /nfs/dbraw/zinc/36/24/37/385362437.db2.gz SRYYSXFVJOQQTI-QWHCGFSZSA-N 2 0 247.342 0.802 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)c1ccc2nccn2c1 ZINC000179170376 385371038 /nfs/dbraw/zinc/37/10/38/385371038.db2.gz ZWIZZOXWSKVNEZ-JTQLQIEISA-N 2 0 246.314 0.920 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178774263 385326849 /nfs/dbraw/zinc/32/68/49/385326849.db2.gz MYZPJUKICBEDCP-UTLUCORTSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[NH+]1CCC([NH2+]C[C@]2(O)CCOC2)CC1 ZINC000180461669 385391644 /nfs/dbraw/zinc/39/16/44/385391644.db2.gz MHYOILHWAYPZTN-CYBMUJFWSA-N 2 0 242.363 0.600 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[NH+](C)C ZINC000155666558 385405380 /nfs/dbraw/zinc/40/53/80/385405380.db2.gz BCFKYPWYVIENES-WCQYABFASA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H]1CCCC[NH2+]1)[C@@H](C)[NH3+] ZINC000644080502 385425741 /nfs/dbraw/zinc/42/57/41/385425741.db2.gz QPXHIUKLRMIDRJ-WOPDTQHZSA-N 2 0 241.379 0.864 20 0 BCADRP CC[C@H]1CN(CC2(C[NH3+])CC2)CC[C@H]1[NH3+] ZINC000647497407 385406469 /nfs/dbraw/zinc/40/64/69/385406469.db2.gz GRXQPIVHRYNQAK-WDEREUQCSA-N 2 0 211.353 0.785 20 0 BCADRP CC[C@@H]1CN(CC2(C[NH3+])CC2)CC[C@@H]1[NH3+] ZINC000647497405 385406976 /nfs/dbraw/zinc/40/69/76/385406976.db2.gz GRXQPIVHRYNQAK-MNOVXSKESA-N 2 0 211.353 0.785 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CC2(C)C)[C@@H]1C[NH3+] ZINC000644063461 385411378 /nfs/dbraw/zinc/41/13/78/385411378.db2.gz AHMACTRBJBUPMN-MXWKQRLJSA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000644068860 385418679 /nfs/dbraw/zinc/41/86/79/385418679.db2.gz UBGNIUAMOLZWGO-RKDXNWHRSA-N 2 0 247.289 0.085 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000259065358 385440159 /nfs/dbraw/zinc/44/01/59/385440159.db2.gz HSIFPENKFASMMJ-LLVKDONJSA-N 2 0 241.379 0.772 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000644081805 385427295 /nfs/dbraw/zinc/42/72/95/385427295.db2.gz BQKSOBIFXHOOKG-UWVGGRQHSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](NC(=O)CC1(C[NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC000644082431 385428368 /nfs/dbraw/zinc/42/83/68/385428368.db2.gz TUXMWXNKJGGBBW-MNOVXSKESA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)[C@@H]1[NH2+]CC1(C)C)C1CC1 ZINC000644087814 385435627 /nfs/dbraw/zinc/43/56/27/385435627.db2.gz WJHSOVBEARKNMX-CABZTGNLSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000644086284 385437705 /nfs/dbraw/zinc/43/77/05/385437705.db2.gz RZFQEWRBFGUTPB-IJLUTSLNSA-N 2 0 239.363 0.348 20 0 BCADRP C[NH+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000171179626 385471466 /nfs/dbraw/zinc/47/14/66/385471466.db2.gz ISHOJRWCDVXJRX-CYBMUJFWSA-N 2 0 249.358 0.967 20 0 BCADRP [NH3+]C1(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1 ZINC000644102323 385472566 /nfs/dbraw/zinc/47/25/66/385472566.db2.gz DOONGELVPCCUGX-UHFFFAOYSA-N 2 0 232.287 0.157 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000518767612 385475108 /nfs/dbraw/zinc/47/51/08/385475108.db2.gz RVOHRRKZIIIBPE-VHSXEESVSA-N 2 0 245.392 0.183 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000518767611 385475865 /nfs/dbraw/zinc/47/58/65/385475865.db2.gz RVOHRRKZIIIBPE-UWVGGRQHSA-N 2 0 245.392 0.183 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000364561430 385476003 /nfs/dbraw/zinc/47/60/03/385476003.db2.gz NWFYHTHLJNSLMM-KQXIARHKSA-N 2 0 239.363 0.985 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C1CC1 ZINC000364599231 385478912 /nfs/dbraw/zinc/47/89/12/385478912.db2.gz KRRHFKJQYFCHDR-WCQYABFASA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCn1cncn1 ZINC000309210013 385480408 /nfs/dbraw/zinc/48/04/08/385480408.db2.gz NQDJZCGKVCEOMT-QWRGUYRKSA-N 2 0 223.324 0.208 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000257647060 385480466 /nfs/dbraw/zinc/48/04/66/385480466.db2.gz ANCFBPJWDBDUSN-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644115465 385493784 /nfs/dbraw/zinc/49/37/84/385493784.db2.gz WKUGXGZOWYKBQF-BBBLOLIVSA-N 2 0 225.336 0.099 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000644115963 385493959 /nfs/dbraw/zinc/49/39/59/385493959.db2.gz PSGLKPCBSYBKDY-JTQLQIEISA-N 2 0 223.320 0.020 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000644115964 385494142 /nfs/dbraw/zinc/49/41/42/385494142.db2.gz PSGLKPCBSYBKDY-SNVBAGLBSA-N 2 0 223.320 0.020 20 0 BCADRP CC(C)[C@H]1CN(C[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000257790620 385495274 /nfs/dbraw/zinc/49/52/74/385495274.db2.gz PAXYFSVWBPRPKD-CHWSQXEVSA-N 2 0 225.380 0.868 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000257747619 385496008 /nfs/dbraw/zinc/49/60/08/385496008.db2.gz ZECUMRTXXLCCBC-LBPRGKRZSA-N 2 0 241.379 0.914 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000257750171 385496930 /nfs/dbraw/zinc/49/69/30/385496930.db2.gz YJWXMQLMWYARJP-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111263400 385499015 /nfs/dbraw/zinc/49/90/15/385499015.db2.gz GLGNKIJDXPPJPJ-VXGBXAGGSA-N 2 0 241.379 0.690 20 0 BCADRP CC[C@H](CO)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000309250270 385500173 /nfs/dbraw/zinc/50/01/73/385500173.db2.gz ZZXFHHUQKVPMRW-UMNHJUIQSA-N 2 0 212.337 0.830 20 0 BCADRP C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CCOCC[NH3+] ZINC000302268419 385507189 /nfs/dbraw/zinc/50/71/89/385507189.db2.gz ABQCLXRQNRSLHK-SNVBAGLBSA-N 2 0 245.367 0.197 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000644132348 385513127 /nfs/dbraw/zinc/51/31/27/385513127.db2.gz QIHHTTUHFLYHQJ-QWRGUYRKSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH+](C)CC1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000336597925 385530848 /nfs/dbraw/zinc/53/08/48/385530848.db2.gz VMAPRONTIDQLMK-LLVKDONJSA-N 2 0 225.336 0.149 20 0 BCADRP [NH3+]C1(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000644139122 385520545 /nfs/dbraw/zinc/52/05/45/385520545.db2.gz HCSFMPDNMPCGEW-UHFFFAOYSA-N 2 0 217.272 0.720 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000644139671 385524007 /nfs/dbraw/zinc/52/40/07/385524007.db2.gz JNGFDNYBZNYOAQ-DTWKUNHWSA-N 2 0 213.325 0.310 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]C[C@H]2CCSC2)CC1 ZINC000309416678 385574880 /nfs/dbraw/zinc/57/48/80/385574880.db2.gz CTSSHKSZYBQESE-LLVKDONJSA-N 2 0 244.404 0.786 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000082475030 385551313 /nfs/dbraw/zinc/55/13/13/385551313.db2.gz PWTPLQJESCLFFV-VIFPVBQESA-N 2 0 225.336 0.324 20 0 BCADRP COC(=O)CCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000309381425 385559245 /nfs/dbraw/zinc/55/92/45/385559245.db2.gz RODXZURHJPLDEI-GARJFASQSA-N 2 0 226.320 0.609 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000054074185 385597242 /nfs/dbraw/zinc/59/72/42/385597242.db2.gz MCSJIPVCDAVDFQ-JTQLQIEISA-N 2 0 227.352 0.583 20 0 BCADRP CCCCNC(=O)CN1CC[C@](C)(C[NH3+])C1 ZINC000309474768 385603363 /nfs/dbraw/zinc/60/33/63/385603363.db2.gz XXPITEPQFDDHJN-GFCCVEGCSA-N 2 0 227.352 0.573 20 0 BCADRP CN(C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCOC1 ZINC000309495166 385615282 /nfs/dbraw/zinc/61/52/82/385615282.db2.gz YZCHDTQHCRAAOU-RYUDHWBXSA-N 2 0 228.336 0.162 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000336680830 385634663 /nfs/dbraw/zinc/63/46/63/385634663.db2.gz RIGGCOQNXYVBMI-GXSJLCMTSA-N 2 0 213.325 0.086 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000337418080 385646237 /nfs/dbraw/zinc/64/62/37/385646237.db2.gz SLLYIOMEUFUXPE-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H](NC(=O)C(C)(C)[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000309512121 385646799 /nfs/dbraw/zinc/64/67/99/385646799.db2.gz XPYZBZPQRJRABX-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000337448905 385665912 /nfs/dbraw/zinc/66/59/12/385665912.db2.gz HACJXDNJNAPBRK-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP CC[C@]1(C(=O)NC[C@@H](C)[NH2+]C)CC[NH2+]C1 ZINC000309534237 385672135 /nfs/dbraw/zinc/67/21/35/385672135.db2.gz WQBGGTMPDRCDRV-KOLCDFICSA-N 2 0 213.325 0.100 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC[C@H]1CCC[NH2+]C1 ZINC000414856755 385717359 /nfs/dbraw/zinc/71/73/59/385717359.db2.gz ZLBDXJJYSBGFDQ-NWDGAFQWSA-N 3 0 213.369 0.949 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645220907 385686559 /nfs/dbraw/zinc/68/65/59/385686559.db2.gz ARWDAKSXNPPFSU-NSHDSACASA-N 2 0 248.330 0.325 20 0 BCADRP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647793418 385698752 /nfs/dbraw/zinc/69/87/52/385698752.db2.gz XKBDRKUBTFILPI-UMSGYPCISA-N 2 0 226.364 0.981 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+](C)C(C)C ZINC000353456655 385715063 /nfs/dbraw/zinc/71/50/63/385715063.db2.gz DNSHDMZAMAKKMA-VXGBXAGGSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000571648349 385731149 /nfs/dbraw/zinc/73/11/49/385731149.db2.gz NFJTWCYJOQVWQP-WOPDTQHZSA-N 2 0 228.336 0.068 20 0 BCADRP C[C@@H](Cn1cccn1)[NH2+]CCC[NH+](C)C ZINC000116399460 385734106 /nfs/dbraw/zinc/73/41/06/385734106.db2.gz OZTVNNRSCCENBT-NSHDSACASA-N 2 0 210.325 0.813 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000647761827 385761359 /nfs/dbraw/zinc/76/13/59/385761359.db2.gz XNTRONIMFVVEJK-VXGBXAGGSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000414863877 385761476 /nfs/dbraw/zinc/76/14/76/385761476.db2.gz JKXKWTFNKRIZPJ-WOPDTQHZSA-N 2 0 211.353 0.859 20 0 BCADRP CCn1ncnc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647797137 385763192 /nfs/dbraw/zinc/76/31/92/385763192.db2.gz ZUFOZCYDZYPPGD-SDDRHHMPSA-N 2 0 249.362 0.776 20 0 BCADRP CCn1ncnc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647797136 385764003 /nfs/dbraw/zinc/76/40/03/385764003.db2.gz ZUFOZCYDZYPPGD-QJPTWQEYSA-N 2 0 249.362 0.776 20 0 BCADRP CC[C@@H](C(=O)NCC[NH3+])[NH+](CC)CC ZINC000336656403 385780989 /nfs/dbraw/zinc/78/09/89/385780989.db2.gz HVLXICRXHQDTMA-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H](C)[NH3+] ZINC000638536511 385798054 /nfs/dbraw/zinc/79/80/54/385798054.db2.gz HCPBQYFHEJCCNA-RKDXNWHRSA-N 2 0 216.329 0.006 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000186812050 385799914 /nfs/dbraw/zinc/79/99/14/385799914.db2.gz NPRVIAIRUDJRLB-LPEHRKFASA-N 2 0 227.352 0.474 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H](C)C[NH2+]C ZINC000336737515 385799927 /nfs/dbraw/zinc/79/99/27/385799927.db2.gz JLTXTQWQYLWFKX-MWLCHTKSSA-N 2 0 215.341 0.476 20 0 BCADRP C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)NC1CC1 ZINC000647799459 385800161 /nfs/dbraw/zinc/80/01/61/385800161.db2.gz HKZZVGDUEFPEEK-GMXVVIOVSA-N 2 0 223.364 0.716 20 0 BCADRP CC[C@]1(C(=O)NC[C@@H](C)C[NH3+])CCC[NH2+]1 ZINC000336740560 385805978 /nfs/dbraw/zinc/80/59/78/385805978.db2.gz MKULPCRFDIIUBH-GXSJLCMTSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@](C)(C[NH3+])C2CC2)CC[N@@H+]1C ZINC000647807264 385859306 /nfs/dbraw/zinc/85/93/06/385859306.db2.gz ZWCZVYDYHVRCOX-IRUJWGPZSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647807098 385856939 /nfs/dbraw/zinc/85/69/39/385856939.db2.gz CQGUFLVEBTTZKY-CABZTGNLSA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186898996 385811977 /nfs/dbraw/zinc/81/19/77/385811977.db2.gz JILBOESVBQFCOV-GUBZILKMSA-N 2 0 213.325 0.084 20 0 BCADRP C[NH2+]C1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000521433552 385824574 /nfs/dbraw/zinc/82/45/74/385824574.db2.gz HEHUVOQRYPFCAP-NSHDSACASA-N 2 0 225.336 0.339 20 0 BCADRP COC[C@@]1(CN[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000414951051 385828131 /nfs/dbraw/zinc/82/81/31/385828131.db2.gz GIADPQUZIODAOK-NEPJUHHUSA-N 2 0 227.352 0.097 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261887835 385832116 /nfs/dbraw/zinc/83/21/16/385832116.db2.gz ZFWREUCJQBAGOH-RWMBFGLXSA-N 2 0 247.342 0.677 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@]1(C)CC[NH2+]C1 ZINC000414953949 385834268 /nfs/dbraw/zinc/83/42/68/385834268.db2.gz MHTUJKCNTAPFRB-TUAOUCFPSA-N 2 0 211.353 0.716 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647802624 385836419 /nfs/dbraw/zinc/83/64/19/385836419.db2.gz QHUMLYMKUFNDAR-KIJLLGNVSA-N 2 0 240.347 0.378 20 0 BCADRP C[C@H]1CN(C(=O)CCC(C)(C)[NH3+])C[C@H](C)[NH2+]1 ZINC000647803347 385838055 /nfs/dbraw/zinc/83/80/55/385838055.db2.gz XCEFZEXSBAKHEB-UWVGGRQHSA-N 2 0 227.352 0.713 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000262430625 385845408 /nfs/dbraw/zinc/84/54/08/385845408.db2.gz JIGNNIVYCGAFIV-NWDGAFQWSA-N 2 0 235.331 0.930 20 0 BCADRP C[C@@H]1C[C@@H](C[NH2+][C@H]2CCCNC2)CC[NH2+]1 ZINC000414867025 385795749 /nfs/dbraw/zinc/79/57/49/385795749.db2.gz NUGOSWHTALOCLQ-WOPDTQHZSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H]1[C@H](C(=O)NCC(C)(C)[NH3+])CC[N@@H+]1C ZINC000647843649 385892713 /nfs/dbraw/zinc/89/27/13/385892713.db2.gz SPJLXNABLPPQLH-RKDXNWHRSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H](C[NH3+])C[NH2+]Cc1cnc(N(C)C)s1 ZINC000414875541 385894149 /nfs/dbraw/zinc/89/41/49/385894149.db2.gz JVKIACROYNWYMU-MRVPVSSYSA-N 2 0 228.365 0.894 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000647857053 385907572 /nfs/dbraw/zinc/90/75/72/385907572.db2.gz PUCNPUZFIGMUMJ-TXEJJXNPSA-N 2 0 239.363 0.572 20 0 BCADRP CC[NH2+]CC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647854914 385910712 /nfs/dbraw/zinc/91/07/12/385910712.db2.gz JCZPFWSBFUQTSH-ZDUSSCGKSA-N 3 0 225.380 0.917 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC[NH2+]C ZINC000417441059 385921971 /nfs/dbraw/zinc/92/19/71/385921971.db2.gz ABKACNLBNGFRNL-SNVBAGLBSA-N 2 0 230.356 0.235 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000335036412 385926555 /nfs/dbraw/zinc/92/65/55/385926555.db2.gz CPHYBQGFJMNEPA-NSHDSACASA-N 2 0 237.347 0.435 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC000647732337 385862598 /nfs/dbraw/zinc/86/25/98/385862598.db2.gz CSVXIZFBCFVSCV-GMTAPVOTSA-N 2 0 225.336 0.134 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000647811046 385862798 /nfs/dbraw/zinc/86/27/98/385862798.db2.gz QEHOGYRGWAAWNE-HTQZYQBOSA-N 2 0 235.278 0.037 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000647732617 385864406 /nfs/dbraw/zinc/86/44/06/385864406.db2.gz PRRQZTKYLNDHPO-DTWKUNHWSA-N 2 0 247.289 0.038 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000647824967 385867416 /nfs/dbraw/zinc/86/74/16/385867416.db2.gz JRAYWNGCOATBGT-RKDXNWHRSA-N 2 0 249.305 0.331 20 0 BCADRP CN(CC[NH+](C)C)C(=O)c1ccc2c[nH+]cn2c1 ZINC000284425868 385869213 /nfs/dbraw/zinc/86/92/13/385869213.db2.gz SRYRLZWPPPBZOX-UHFFFAOYSA-N 2 0 246.314 0.968 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000647818239 385870745 /nfs/dbraw/zinc/87/07/45/385870745.db2.gz FRIWMXQUWJXMIJ-OOCWMUITSA-N 2 0 237.347 0.323 20 0 BCADRP C[C@@H]1[C@H](C(=O)N(C)CCC[NH3+])CC[N@@H+]1C ZINC000647830618 385872784 /nfs/dbraw/zinc/87/27/84/385872784.db2.gz WPWJWIFGROJEKK-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647826241 385875418 /nfs/dbraw/zinc/87/54/18/385875418.db2.gz KFUVRYPUMAKSDA-MPPDQPJWSA-N 2 0 239.363 0.332 20 0 BCADRP CC[NH+](CC)CCCN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000647940599 385877646 /nfs/dbraw/zinc/87/76/46/385877646.db2.gz JPZHLMZBGNFNFI-STQMWFEESA-N 2 0 243.395 0.325 20 0 BCADRP [NH3+]C[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000647829672 385877911 /nfs/dbraw/zinc/87/79/11/385877911.db2.gz KNGQIDRSXUURNM-VXGBXAGGSA-N 3 0 211.353 0.657 20 0 BCADRP CC1(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)C[NH2+]C1 ZINC000335037927 385928272 /nfs/dbraw/zinc/92/82/72/385928272.db2.gz KJEQGHJKNNOACZ-UWVGGRQHSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000647829451 385878592 /nfs/dbraw/zinc/87/85/92/385878592.db2.gz IRDNKNMAVHALKH-MMWGEVLESA-N 2 0 225.336 0.357 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000647836743 385880334 /nfs/dbraw/zinc/88/03/34/385880334.db2.gz OREPBVOCMINYTF-STQMWFEESA-N 2 0 225.380 0.917 20 0 BCADRP CC1(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C[NH2+]C1 ZINC000335037929 385928372 /nfs/dbraw/zinc/92/83/72/385928372.db2.gz KJEQGHJKNNOACZ-ZJUUUORDSA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000295149752 385977580 /nfs/dbraw/zinc/97/75/80/385977580.db2.gz JMABUWZXTCHZFG-GXTWGEPZSA-N 2 0 249.358 0.960 20 0 BCADRP C[C@H]1CN(C)C[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335021136 385981194 /nfs/dbraw/zinc/98/11/94/385981194.db2.gz CGLUMENDNYUKPP-NWDGAFQWSA-N 2 0 225.380 0.916 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000295173100 385983855 /nfs/dbraw/zinc/98/38/55/385983855.db2.gz LRKWRXDKUKAJSK-STQMWFEESA-N 2 0 249.358 0.828 20 0 BCADRP C[C@H](C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21)[NH+](C)C ZINC000639020083 385933439 /nfs/dbraw/zinc/93/34/39/385933439.db2.gz JPORKPRXZKXTNY-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NCC1=CC[N@H+](C)CC1 ZINC000335041470 385933529 /nfs/dbraw/zinc/93/35/29/385933529.db2.gz ICLAEQBFZMGTJL-YPMHNXCESA-N 2 0 223.364 0.836 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000309017885 385936075 /nfs/dbraw/zinc/93/60/75/385936075.db2.gz VJAVVZXZYAEOLM-IUCAKERBSA-N 2 0 201.314 0.357 20 0 BCADRP CN(CC[NH3+])C(=O)C12CCC[NH+]1CCC2 ZINC000335044890 385938659 /nfs/dbraw/zinc/93/86/59/385938659.db2.gz DVUPYNLWHHPIRS-UHFFFAOYSA-N 2 0 211.309 0.032 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000638568207 385957919 /nfs/dbraw/zinc/95/79/19/385957919.db2.gz XCVGQVXFRJKDCL-WDEREUQCSA-N 2 0 239.363 0.762 20 0 BCADRP COc1ccc2c(c1)[C@H]([NH3+])CCN2C(=O)[C@H](C)[NH3+] ZINC000365220601 385960882 /nfs/dbraw/zinc/96/08/82/385960882.db2.gz HYUXTKXRFCLTLV-GZMMTYOYSA-N 2 0 249.314 0.779 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000295096948 385966959 /nfs/dbraw/zinc/96/69/59/385966959.db2.gz UJCDGJIWHCHXAR-CABZTGNLSA-N 2 0 233.315 0.164 20 0 BCADRP CC(C)([NH3+])CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000331793708 385969258 /nfs/dbraw/zinc/96/92/58/385969258.db2.gz SVPCYYXETLIQCY-VIFPVBQESA-N 2 0 240.351 0.260 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000638574914 386000340 /nfs/dbraw/zinc/00/03/40/386000340.db2.gz YUEASSWUCQWJKK-YFKTTZPYSA-N 2 0 239.363 0.631 20 0 BCADRP C[NH2+]CCC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000309263623 386001363 /nfs/dbraw/zinc/00/13/63/386001363.db2.gz QTVXHKCTBXYRHE-LLVKDONJSA-N 2 0 225.336 0.149 20 0 BCADRP C[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1nccs1 ZINC000336750384 386003943 /nfs/dbraw/zinc/00/39/43/386003943.db2.gz UUJLVSOLAXPFKC-GXSJLCMTSA-N 2 0 241.360 0.860 20 0 BCADRP C[C@@]1(CNC(=O)[C@@H]([NH3+])C2CCC2)CCC[NH2+]C1 ZINC000331827180 386056218 /nfs/dbraw/zinc/05/62/18/386056218.db2.gz CURSKYZOOZMXSS-WCQYABFASA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000295334316 386013278 /nfs/dbraw/zinc/01/32/78/386013278.db2.gz ZTSCDYQIQZWYBZ-STQMWFEESA-N 2 0 249.358 0.656 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000309516004 386015963 /nfs/dbraw/zinc/01/59/63/386015963.db2.gz YSNOGWCAXBLQME-AEJSXWLSSA-N 2 0 213.325 0.357 20 0 BCADRP CCCC[C@@H](COC)[NH2+]CCN1CC[NH2+]CC1 ZINC000414883048 386026773 /nfs/dbraw/zinc/02/67/73/386026773.db2.gz NHOQXBFKQWFBGA-ZDUSSCGKSA-N 2 0 243.395 0.686 20 0 BCADRP [NH3+][C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000335061293 386027366 /nfs/dbraw/zinc/02/73/66/386027366.db2.gz MEOXOGVLPCEQBT-VXGBXAGGSA-N 2 0 245.326 0.513 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335062523 386030450 /nfs/dbraw/zinc/03/04/50/386030450.db2.gz OVDWHICYDPDYDY-ONGXEEELSA-N 2 0 233.315 0.498 20 0 BCADRP CC[N@H+](CCNC(=O)NCC[NH2+]C)C(C)C ZINC000417465749 386033917 /nfs/dbraw/zinc/03/39/17/386033917.db2.gz SUFISDCSFHTXIR-UHFFFAOYSA-N 2 0 230.356 0.235 20 0 BCADRP CC[N@H+](CCNC(=O)NCC[C@H](C)[NH3+])C(C)C ZINC000417464640 386041509 /nfs/dbraw/zinc/04/15/09/386041509.db2.gz QWSBDOJOSRKYRS-NSHDSACASA-N 2 0 244.383 0.753 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000237045447 259680562 /nfs/dbraw/zinc/68/05/62/259680562.db2.gz WQGWNBCYSBWFBU-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)C[NH3+] ZINC000037801503 386102950 /nfs/dbraw/zinc/10/29/50/386102950.db2.gz ZZUYTIZHXBXYMC-UHFFFAOYSA-N 2 0 235.331 0.536 20 0 BCADRP CC[N@H+](CCO)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414663558 386111500 /nfs/dbraw/zinc/11/15/00/386111500.db2.gz BIIJGZHGCVPHLE-QWRGUYRKSA-N 2 0 200.326 0.689 20 0 BCADRP CC[N@H+](CCO)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414663556 386111971 /nfs/dbraw/zinc/11/19/71/386111971.db2.gz BIIJGZHGCVPHLE-GHMZBOCLSA-N 2 0 200.326 0.689 20 0 BCADRP CC[C@@H](Cn1cncn1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000340522471 386116798 /nfs/dbraw/zinc/11/67/98/386116798.db2.gz AYMGZCNMQAXUFG-ZDUSSCGKSA-N 2 0 249.362 0.908 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000054340069 386120163 /nfs/dbraw/zinc/12/01/63/386120163.db2.gz FKQVBFHBTKYWDD-NXEZZACHSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)C[NH3+])C[NH+]1CCCCC1 ZINC000054342382 386121815 /nfs/dbraw/zinc/12/18/15/386121815.db2.gz KYDZDIPCKUPBON-VXGBXAGGSA-N 2 0 241.379 0.819 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000129218902 386064974 /nfs/dbraw/zinc/06/49/74/386064974.db2.gz UKEFIKKOPRYDIB-JTQLQIEISA-N 2 0 227.352 0.298 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C1(C[NH3+])CCCC1 ZINC000334440566 386067862 /nfs/dbraw/zinc/06/78/62/386067862.db2.gz XHQSYYUKYZMREE-QWRGUYRKSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](N)C2)CC[NH2+]1 ZINC000414651700 386073958 /nfs/dbraw/zinc/07/39/58/386073958.db2.gz FWGVDFJMGSWUFY-UTUOFQBUSA-N 2 0 211.353 0.798 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000310085515 386081940 /nfs/dbraw/zinc/08/19/40/386081940.db2.gz GNZZJFDYAHMICL-PWSUYJOCSA-N 2 0 239.363 0.395 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000310085516 386081986 /nfs/dbraw/zinc/08/19/86/386081986.db2.gz GNZZJFDYAHMICL-ZYHUDNBSSA-N 2 0 239.363 0.395 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000310085511 386084234 /nfs/dbraw/zinc/08/42/34/386084234.db2.gz GNZZJFDYAHMICL-CMPLNLGQSA-N 2 0 239.363 0.395 20 0 BCADRP CC[N@@H+]1CC[C@@H](NCC[NH2+]CCOC)[C@H](C)C1 ZINC000414887609 386092612 /nfs/dbraw/zinc/09/26/12/386092612.db2.gz QSFBLTPZUJRKRE-CHWSQXEVSA-N 2 0 243.395 0.542 20 0 BCADRP CC(C)([NH3+])C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000334473687 386145633 /nfs/dbraw/zinc/14/56/33/386145633.db2.gz JTRQWMZGGASQMO-GFCCVEGCSA-N 2 0 247.342 0.727 20 0 BCADRP COC[C@H]([NH3+])C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000354074832 386146864 /nfs/dbraw/zinc/14/68/64/386146864.db2.gz XHTJABSGKUTFRO-UWVGGRQHSA-N 2 0 245.367 0.053 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C1CC[NH+](C)CC1 ZINC000346114512 386152532 /nfs/dbraw/zinc/15/25/32/386152532.db2.gz BPUVRLWKIUKRQE-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP CC[N@H+](CCNC(=O)NCCC[NH3+])C1CC1 ZINC000417489895 386154003 /nfs/dbraw/zinc/15/40/03/386154003.db2.gz QQZPMPYGJOTVJT-UHFFFAOYSA-N 2 0 228.340 0.119 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055088188 386155276 /nfs/dbraw/zinc/15/52/76/386155276.db2.gz ZQZRPYIDITVDRC-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP CC[N@H+](CCNC(=O)NCC[C@H](C)[NH3+])C1CC1 ZINC000417492699 386158174 /nfs/dbraw/zinc/15/81/74/386158174.db2.gz VKWDUBMEDBQANP-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000346139735 386165891 /nfs/dbraw/zinc/16/58/91/386165891.db2.gz OMTCGVZTZUKKIL-JQWIXIFHSA-N 2 0 239.363 0.680 20 0 BCADRP CC[C@@H]([NH3+])c1cn(C[C@H](O)C[N@H+](C)CC)nn1 ZINC000310315109 386173520 /nfs/dbraw/zinc/17/35/20/386173520.db2.gz XIFFNPRRHJPJGR-NXEZZACHSA-N 2 0 241.339 0.001 20 0 BCADRP C[NH+](C)CC(=O)NCC[NH2+]C1CCCCCC1 ZINC000130106805 386136297 /nfs/dbraw/zinc/13/62/97/386136297.db2.gz OZJBRSSFSFHBAT-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH+](C)C/C=C/C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000365505171 386136605 /nfs/dbraw/zinc/13/66/05/386136605.db2.gz DVSSOGDUFWOLMK-AHWSKYQCSA-N 2 0 237.347 0.124 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000647875032 386142323 /nfs/dbraw/zinc/14/23/23/386142323.db2.gz SETMENFCUBHLAI-KXUCPTDWSA-N 2 0 213.325 0.357 20 0 BCADRP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414699502 386202850 /nfs/dbraw/zinc/20/28/50/386202850.db2.gz IKRLFIWETGZQSQ-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](c1ccccc1)N(CCC[NH3+])CC(N)=O ZINC000414700285 386205064 /nfs/dbraw/zinc/20/50/64/386205064.db2.gz GCHHGNIUYZVELY-LLVKDONJSA-N 2 0 235.331 0.884 20 0 BCADRP [NH3+]CCC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000414702489 386208280 /nfs/dbraw/zinc/20/82/80/386208280.db2.gz XLEAKMISVXGPNY-ZDUSSCGKSA-N 2 0 241.379 0.522 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)CC[NH2+]1 ZINC000414702529 386209715 /nfs/dbraw/zinc/20/97/15/386209715.db2.gz HWOIFBPMCMMHRT-XQHKEYJVSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000131628397 386211593 /nfs/dbraw/zinc/21/15/93/386211593.db2.gz HRIKTGCMUZAKRR-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000647757319 386212604 /nfs/dbraw/zinc/21/26/04/386212604.db2.gz OAWIQVXTPDZZGD-HKWIRBFKSA-N 2 0 237.347 0.323 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000647757294 386212718 /nfs/dbraw/zinc/21/27/18/386212718.db2.gz IVILNYMDDBRSGD-OHBODLIOSA-N 2 0 237.347 0.038 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1Cc1nnnn1C1CC1 ZINC000131642360 386213754 /nfs/dbraw/zinc/21/37/54/386213754.db2.gz OTIUKEQCTVRRKN-RKDXNWHRSA-N 2 0 236.323 0.177 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000131722015 386214722 /nfs/dbraw/zinc/21/47/22/386214722.db2.gz DXISTHWBVWGFHC-ZYHUDNBSSA-N 2 0 247.342 0.955 20 0 BCADRP CNC(=O)[C@H](C)C[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414704803 386215094 /nfs/dbraw/zinc/21/50/94/386215094.db2.gz JRBPLZIMFMMOGX-WOPDTQHZSA-N 2 0 241.379 0.688 20 0 BCADRP C[N@H+](CCNC(=O)NCC[NH3+])C1CCCC1 ZINC000417508564 386216398 /nfs/dbraw/zinc/21/63/98/386216398.db2.gz PVKBBRLILFNGJW-UHFFFAOYSA-N 2 0 228.340 0.119 20 0 BCADRP CNC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000347034465 386222825 /nfs/dbraw/zinc/22/28/25/386222825.db2.gz GBMYEQVVJNZOSC-GFCCVEGCSA-N 2 0 247.342 0.827 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN(CCC[NH3+])C1 ZINC000414711906 386226398 /nfs/dbraw/zinc/22/63/98/386226398.db2.gz TUWIFBCCLJHCTN-GFCCVEGCSA-N 2 0 213.369 0.999 20 0 BCADRP CC[C@@]1(C(=O)NC[C@H]2CC[N@H+](C)C2)CCC[NH2+]1 ZINC000215331959 386231102 /nfs/dbraw/zinc/23/11/02/386231102.db2.gz YPUJTFHQTRMJIL-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)C1(CNC(=O)C2([NH3+])CCC2)CCCC1 ZINC000132438505 386233895 /nfs/dbraw/zinc/23/38/95/386233895.db2.gz QBPMFICDQMNHNW-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP O=C1CN(C[C@@H]2CC[NH2+]C2)[C@H]2CCCC[C@H]2N1 ZINC000647882944 386234089 /nfs/dbraw/zinc/23/40/89/386234089.db2.gz RECOZQZJSFMGFI-UTUOFQBUSA-N 2 0 237.347 0.339 20 0 BCADRP O=C1CN(C[C@@H]2CC[NH2+]C2)[C@H]2CCCC[C@@H]2N1 ZINC000647882945 386234708 /nfs/dbraw/zinc/23/47/08/386234708.db2.gz RECOZQZJSFMGFI-WOPDTQHZSA-N 2 0 237.347 0.339 20 0 BCADRP O=C1CN(C[C@@H]2CC[NH2+]C2)[C@@H]2CCCC[C@@H]2N1 ZINC000647882942 386235141 /nfs/dbraw/zinc/23/51/41/386235141.db2.gz RECOZQZJSFMGFI-GRYCIOLGSA-N 2 0 237.347 0.339 20 0 BCADRP CCC[C@H]1CN(CCC[NH3+])CC[N@@H+]1CCOC ZINC000414717021 386241282 /nfs/dbraw/zinc/24/12/82/386241282.db2.gz YXPMNFOLVPGUCL-ZDUSSCGKSA-N 2 0 243.395 0.768 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000638350039 386241249 /nfs/dbraw/zinc/24/12/49/386241249.db2.gz AMFXONQRZFXCJL-ZYHUDNBSSA-N 2 0 247.342 0.901 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000132935527 386260817 /nfs/dbraw/zinc/26/08/17/386260817.db2.gz OKLPOLJOSDOFNG-UTUOFQBUSA-N 2 0 239.363 0.727 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NC(C)(C)CC[NH3+])C1 ZINC000638355131 386245933 /nfs/dbraw/zinc/24/59/33/386245933.db2.gz FWIGKCZZHVVRER-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NC(C)(C)CC[NH3+] ZINC000638355171 386246455 /nfs/dbraw/zinc/24/64/55/386246455.db2.gz GURHCUPJMAEIDY-SNVBAGLBSA-N 2 0 229.368 0.994 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC(C)(C)CC[NH3+] ZINC000638355441 386247397 /nfs/dbraw/zinc/24/73/97/386247397.db2.gz MCZXAFAWGIBPHX-QMMMGPOBSA-N 2 0 201.314 0.228 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1CCO[C@H](C[NH3+])C1 ZINC000414719595 386252896 /nfs/dbraw/zinc/25/28/96/386252896.db2.gz YZEXWTUUIREMOP-GHMZBOCLSA-N 2 0 215.341 0.019 20 0 BCADRP C[C@@H]1C[C@H](O)C[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000336647263 386257528 /nfs/dbraw/zinc/25/75/28/386257528.db2.gz LWBQZYOOKAZLRG-UTUOFQBUSA-N 2 0 212.337 0.926 20 0 BCADRP CC(C)C[N@@H+](CC(N)=O)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414693521 386192042 /nfs/dbraw/zinc/19/20/42/386192042.db2.gz BZGCOAYYAFIDHY-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CCN1 ZINC000414693955 386192069 /nfs/dbraw/zinc/19/20/69/386192069.db2.gz SEYJFWKIFNNAFW-QJPTWQEYSA-N 2 0 211.353 0.668 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000132913800 386259051 /nfs/dbraw/zinc/25/90/51/386259051.db2.gz LNFAMSRJEFTHPY-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000414698092 386198775 /nfs/dbraw/zinc/19/87/75/386198775.db2.gz RUKOZHQHLCNGFG-ZDUSSCGKSA-N 2 0 241.379 0.379 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@H+](CC2(C[NH3+])CC2)C1 ZINC000414732887 386292667 /nfs/dbraw/zinc/29/26/67/386292667.db2.gz IUVSVAWMPMDIDE-NSHDSACASA-N 2 0 211.353 0.786 20 0 BCADRP CC[C@@H]1C(=O)N(CC)CCN1CCC[NH3+] ZINC000414734936 386297407 /nfs/dbraw/zinc/29/74/07/386297407.db2.gz FEUQNEHFHDJJAW-SNVBAGLBSA-N 2 0 213.325 0.278 20 0 BCADRP C[C@@H](CNC(=O)NCCC[NH3+])[N@H+](C)C1CC1 ZINC000417538072 386299015 /nfs/dbraw/zinc/29/90/15/386299015.db2.gz DAQZUNMVSWSOLW-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000180896547 386305083 /nfs/dbraw/zinc/30/50/83/386305083.db2.gz MFNKWTZPJYJVEK-YPMHNXCESA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000180896495 386305143 /nfs/dbraw/zinc/30/51/43/386305143.db2.gz MFNKWTZPJYJVEK-WCQYABFASA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H]1CN(CC[NH2+]C(C)(C)C)C[C@H]1CO ZINC000414737127 386305455 /nfs/dbraw/zinc/30/54/55/386305455.db2.gz IKTMBMFCOAOXOR-MNOVXSKESA-N 2 0 214.353 0.935 20 0 BCADRP COCCCN(CCO)CC[NH2+]C(C)(C)C ZINC000414737113 386305608 /nfs/dbraw/zinc/30/56/08/386305608.db2.gz AAOYIJHUJOTDMD-UHFFFAOYSA-N 2 0 232.368 0.705 20 0 BCADRP C[C@@]1(C(=O)N2CCC[C@H]([NH3+])C2)CCCC[NH2+]1 ZINC000180894987 386307165 /nfs/dbraw/zinc/30/71/65/386307165.db2.gz AAABEMVCFFTBGA-JQWIXIFHSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@H](O)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000336670416 386314658 /nfs/dbraw/zinc/31/46/58/386314658.db2.gz GQCHMTOWOYCCJO-QWRGUYRKSA-N 2 0 200.326 0.641 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1CO ZINC000414738386 386315794 /nfs/dbraw/zinc/31/57/94/386315794.db2.gz JFOMKQQEJRTHJR-VOAKCMCISA-N 2 0 226.364 0.935 20 0 BCADRP CC(C)[C@H](C(=O)NCC1([NH+](C)C)CC1)[NH+](C)C ZINC000416299041 386264041 /nfs/dbraw/zinc/26/40/41/386264041.db2.gz FFFRQLGJHBKXHU-LLVKDONJSA-N 2 0 241.379 0.783 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000339134258 386264849 /nfs/dbraw/zinc/26/48/49/386264849.db2.gz UCGCEPAXYKLIEY-VHSXEESVSA-N 2 0 215.341 0.297 20 0 BCADRP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000416302023 386267777 /nfs/dbraw/zinc/26/77/77/386267777.db2.gz MVKKMCYQEKMCHB-JTQLQIEISA-N 2 0 225.336 0.291 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]C)[NH+](CC)CC ZINC000339136285 386268006 /nfs/dbraw/zinc/26/80/06/386268006.db2.gz JTPRRWIBDOQTTK-MNOVXSKESA-N 2 0 229.368 0.831 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1([NH+](C)C)CC1 ZINC000416308439 386269539 /nfs/dbraw/zinc/26/95/39/386269539.db2.gz QPQMTSFRJVEXPT-GHMZBOCLSA-N 2 0 239.363 0.395 20 0 BCADRP C([C@H]1CCC[NH2+]C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000347176739 386270689 /nfs/dbraw/zinc/27/06/89/386270689.db2.gz QYPKCQQGKUWFKO-WCQYABFASA-N 2 0 223.364 0.812 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000414746574 386346402 /nfs/dbraw/zinc/34/64/02/386346402.db2.gz SIGUKYHYMITPEO-FRRDWIJNSA-N 2 0 225.380 0.853 20 0 BCADRP C[C@H](CNC(=O)N1CC[NH2+]CC1)[N@H+](C)C1CC1 ZINC000417547081 386348033 /nfs/dbraw/zinc/34/80/33/386348033.db2.gz GOYRDZWPNBNQIK-SNVBAGLBSA-N 2 0 240.351 0.084 20 0 BCADRP CC1(C)CN(C[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000335268198 386349592 /nfs/dbraw/zinc/34/95/92/386349592.db2.gz DMJKSBLPKVILDJ-LLVKDONJSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH+](C)C/C=C/C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000265606319 386351916 /nfs/dbraw/zinc/35/19/16/386351916.db2.gz BFBHAHUJERGRDS-OKPNEXGHSA-N 2 0 225.336 0.315 20 0 BCADRP C1CC[C@@H](N[C@@H]2CCC[NH2+]CC2)C[NH2+]C1 ZINC000335269931 386353810 /nfs/dbraw/zinc/35/38/10/386353810.db2.gz LAGXQZWVISDQHK-VXGBXAGGSA-N 2 0 211.353 0.860 20 0 BCADRP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CCC[NH3+] ZINC000414753116 386386696 /nfs/dbraw/zinc/38/66/96/386386696.db2.gz DBBBLSDAXVYNRH-GHMZBOCLSA-N 2 0 244.335 0.378 20 0 BCADRP c1ncn([C@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000647989538 386357935 /nfs/dbraw/zinc/35/79/35/386357935.db2.gz BALKPZYHIPNPCA-ZDUSSCGKSA-N 2 0 249.362 0.915 20 0 BCADRP C[C@H]1C[C@H](C[NH2+][C@H]2CCCNC2)CC[NH2+]1 ZINC000414905259 386358401 /nfs/dbraw/zinc/35/84/01/386358401.db2.gz NUGOSWHTALOCLQ-TUAOUCFPSA-N 2 0 211.353 0.716 20 0 BCADRP c1ncn([C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000647989571 386359627 /nfs/dbraw/zinc/35/96/27/386359627.db2.gz GFKUMUWPUBJHRK-WDEREUQCSA-N 2 0 221.308 0.134 20 0 BCADRP CCN(CCO)CC[NH2+]C[C@@H]1CCSC1 ZINC000336774464 386372683 /nfs/dbraw/zinc/37/26/83/386372683.db2.gz ZWDWRFWXKRPXDF-NSHDSACASA-N 2 0 232.393 0.643 20 0 BCADRP C[C@H](CNC(=O)C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000237402696 386376716 /nfs/dbraw/zinc/37/67/16/386376716.db2.gz RIIGEBOEPFYFPD-LLVKDONJSA-N 2 0 247.342 0.508 20 0 BCADRP C[C@H](C(=O)N[C@@H](C)C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000276863220 386384236 /nfs/dbraw/zinc/38/42/36/386384236.db2.gz BPVLKXGYMUAAKM-NWDGAFQWSA-N 2 0 249.358 0.970 20 0 BCADRP COC(=O)[C@]1(C)C[N@H+](CCC[NH3+])C[C@H]1C ZINC000414741934 386327721 /nfs/dbraw/zinc/32/77/21/386327721.db2.gz LICGKBZKZYGXLK-MWLCHTKSSA-N 2 0 214.309 0.466 20 0 BCADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC[NH3+] ZINC000417541561 386333192 /nfs/dbraw/zinc/33/31/92/386333192.db2.gz YVGJNMKBTXSFSU-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000334490087 386334352 /nfs/dbraw/zinc/33/43/52/386334352.db2.gz DOPSNHMLKPDMGF-VXGBXAGGSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335276559 386338293 /nfs/dbraw/zinc/33/82/93/386338293.db2.gz NWYBLPDKLKHCIW-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000417134116 386452644 /nfs/dbraw/zinc/45/26/44/386452644.db2.gz IFCKSPWQCDFMBE-MXWKQRLJSA-N 2 0 240.351 0.260 20 0 BCADRP C[NH2+]CCNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000417036998 386438048 /nfs/dbraw/zinc/43/80/48/386438048.db2.gz TUFUGLWICXYJMJ-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccn1 ZINC000647992060 386438363 /nfs/dbraw/zinc/43/83/63/386438363.db2.gz AEEFESKLCDLIKJ-LBPRGKRZSA-N 2 0 234.347 0.637 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000414771075 386452796 /nfs/dbraw/zinc/45/27/96/386452796.db2.gz PBJNGBBOGCQLTK-AGIUHOORSA-N 2 0 225.380 0.901 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CCC2(CC[NH2+]2)CC1 ZINC000647992504 386448729 /nfs/dbraw/zinc/44/87/29/386448729.db2.gz HECASBBXJLQHMB-NSHDSACASA-N 2 0 209.337 0.424 20 0 BCADRP CC[NH+](CC)CCCNC(=O)N(C)CC[NH3+] ZINC000416796408 386388265 /nfs/dbraw/zinc/38/82/65/386388265.db2.gz ANVLFLFBVIYVAK-UHFFFAOYSA-N 2 0 230.356 0.318 20 0 BCADRP CC[NH+](CC)CCCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000416825029 386391889 /nfs/dbraw/zinc/39/18/89/386391889.db2.gz YPJNGOHIQBYZGZ-WDEREUQCSA-N 2 0 244.383 0.753 20 0 BCADRP Cc1cccn2cc(CNC(=O)[C@@H]3C[C@@H]3[NH3+])nc12 ZINC000335279451 386391968 /nfs/dbraw/zinc/39/19/68/386391968.db2.gz HKPADNNCDGFQCB-MNOVXSKESA-N 2 0 244.298 0.606 20 0 BCADRP COC[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000647891619 386393877 /nfs/dbraw/zinc/39/38/77/386393877.db2.gz YLFDSOOLOLYILX-GFCCVEGCSA-N 2 0 227.352 0.002 20 0 BCADRP CC[NH+](CC)CCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000416804250 386394495 /nfs/dbraw/zinc/39/44/95/386394495.db2.gz WRACOTOSSQJRAZ-LLVKDONJSA-N 2 0 242.367 0.461 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000347417943 386397243 /nfs/dbraw/zinc/39/72/43/386397243.db2.gz QHNTVHVSNSQIIM-JHJVBQTASA-N 2 0 244.379 0.704 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000347417948 386397264 /nfs/dbraw/zinc/39/72/64/386397264.db2.gz QHNTVHVSNSQIIM-XQQFMLRXSA-N 2 0 244.379 0.704 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000237644497 386397742 /nfs/dbraw/zinc/39/77/42/386397742.db2.gz DHBJFVHWNDGJEA-WDEREUQCSA-N 2 0 247.342 0.968 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000637829285 386406290 /nfs/dbraw/zinc/40/62/90/386406290.db2.gz KEYNSDKJOCDJMJ-SKDRFNHKSA-N 2 0 237.347 0.620 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000417134118 386451672 /nfs/dbraw/zinc/45/16/72/386451672.db2.gz IFCKSPWQCDFMBE-OUAUKWLOSA-N 2 0 240.351 0.260 20 0 BCADRP COC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339427869 386422682 /nfs/dbraw/zinc/42/26/82/386422682.db2.gz YXTFQVFSAARTHJ-ZDUSSCGKSA-N 2 0 240.347 0.967 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000134365901 386424010 /nfs/dbraw/zinc/42/40/10/386424010.db2.gz GZWHFIXFQSBMOU-ZYHUDNBSSA-N 2 0 225.336 0.387 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CCC[NH2+]1 ZINC000134368801 386427010 /nfs/dbraw/zinc/42/70/10/386427010.db2.gz RERLLMNPELNYRC-NQBHXWOUSA-N 2 0 239.363 0.762 20 0 BCADRP CN(C(=O)NCC[N@H+](C)C1CC1)C1CC([NH3+])C1 ZINC000417623368 386469934 /nfs/dbraw/zinc/46/99/34/386469934.db2.gz ISLLTCNLLXGXQO-UHFFFAOYSA-N 2 0 240.351 0.212 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)NCC(C)(C)[NH3+] ZINC000417290766 386478947 /nfs/dbraw/zinc/47/89/47/386478947.db2.gz YSASGJZKTZSDIQ-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000335426862 386479753 /nfs/dbraw/zinc/47/97/53/386479753.db2.gz CTWSABBVTMNCDH-GXFFZTMASA-N 2 0 247.342 0.808 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)cc1 ZINC000335425905 386480239 /nfs/dbraw/zinc/48/02/39/386480239.db2.gz MJICEDKUQMTIPF-MFKMUULPSA-N 2 0 231.299 0.836 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000187177449 386484455 /nfs/dbraw/zinc/48/44/55/386484455.db2.gz IYFFDZZWJNJCSD-SNVBAGLBSA-N 2 0 248.330 0.783 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000335431458 386487784 /nfs/dbraw/zinc/48/77/84/386487784.db2.gz WNGOQHRPAWNUGK-GXFFZTMASA-N 2 0 247.342 0.666 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000335432878 386489162 /nfs/dbraw/zinc/48/91/62/386489162.db2.gz DWUXUXGCZOBUNS-CABZTGNLSA-N 2 0 244.298 0.896 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417318097 386495011 /nfs/dbraw/zinc/49/50/11/386495011.db2.gz KWBSNAMYPFGVCQ-ONGXEEELSA-N 2 0 242.367 0.363 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@H](C)CC[NH+](C)C ZINC000417317701 386495492 /nfs/dbraw/zinc/49/54/92/386495492.db2.gz JOFULTPWQHSXHN-NXEZZACHSA-N 2 0 230.356 0.363 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417320442 386496068 /nfs/dbraw/zinc/49/60/68/386496068.db2.gz QBXXNKLIWFFKBO-GHMZBOCLSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000417318080 386496095 /nfs/dbraw/zinc/49/60/95/386496095.db2.gz KTNRMOZULYZCMO-QWRGUYRKSA-N 2 0 242.367 0.378 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000519598980 386496636 /nfs/dbraw/zinc/49/66/36/386496636.db2.gz KGIDQINRIRXLRZ-CMPLNLGQSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)NCC1([NH3+])CCC1 ZINC000417319836 386496662 /nfs/dbraw/zinc/49/66/62/386496662.db2.gz OINAKBMJWKTWGC-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP CN(C(=O)[C@@H]1CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000062112335 386503198 /nfs/dbraw/zinc/50/31/98/386503198.db2.gz OPYRRNVHWUSOEF-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062113121 386503614 /nfs/dbraw/zinc/50/36/14/386503614.db2.gz MWPBPHAZQDQRBD-NEPJUHHUSA-N 2 0 241.379 0.688 20 0 BCADRP CC[N@@H+]1CC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)C1 ZINC000415020033 386509145 /nfs/dbraw/zinc/50/91/45/386509145.db2.gz APZXROIHRNQVDO-IEECTRCBSA-N 2 0 223.364 0.524 20 0 BCADRP C[C@@H]1C[C@@H](C[NH+]2CCC([NH3+])CC2)CC[NH2+]1 ZINC000335447256 386513933 /nfs/dbraw/zinc/51/39/33/386513933.db2.gz BFSSXUKCRBIFMR-MNOVXSKESA-N 2 0 211.353 0.798 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000188439802 386516813 /nfs/dbraw/zinc/51/68/13/386516813.db2.gz CQHPHGJFAOPGQF-SNVBAGLBSA-N 2 0 213.325 0.147 20 0 BCADRP CC(C)([NH3+])CN[C@@H]1C[NH2+]CCC1(F)F ZINC000335448817 386516997 /nfs/dbraw/zinc/51/69/97/386516997.db2.gz UURAYWBURKFRIM-SSDOTTSWSA-N 2 0 207.268 0.311 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1CCC2(CC[NH2+]2)CC1 ZINC000335449207 386517806 /nfs/dbraw/zinc/51/78/06/386517806.db2.gz YFERUNVHSZZOEL-GFCCVEGCSA-N 2 0 223.364 0.814 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000335448396 386517983 /nfs/dbraw/zinc/51/79/83/386517983.db2.gz PLADRHMXQQUAPB-VXGBXAGGSA-N 3 0 211.353 0.846 20 0 BCADRP [NH3+]CC1(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000335449149 386518136 /nfs/dbraw/zinc/51/81/36/386518136.db2.gz WCVNRUGOXJKJSM-MNOVXSKESA-N 3 0 209.337 0.267 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000335448780 386518148 /nfs/dbraw/zinc/51/81/48/386518148.db2.gz SFITWXSBEOKOCT-NEPJUHHUSA-N 2 0 225.380 0.964 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000519654882 386518697 /nfs/dbraw/zinc/51/86/97/386518697.db2.gz WHUVFUSCJNYGAB-XZUYRWCXSA-N 2 0 237.347 0.324 20 0 BCADRP CC1(C)[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]2CCO[C@@H]21 ZINC000415037285 386524569 /nfs/dbraw/zinc/52/45/69/386524569.db2.gz MVAGDSPGYVONFW-IXJGYNTHSA-N 2 0 222.332 0.607 20 0 BCADRP C1CC2(C1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)[C@H]1CCO[C@H]12 ZINC000415040735 386525895 /nfs/dbraw/zinc/52/58/95/386525895.db2.gz QPIDGNBEBHVDEQ-PQCBQTOFSA-N 2 0 234.343 0.751 20 0 BCADRP C[C@@H]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000638422430 386461918 /nfs/dbraw/zinc/46/19/18/386461918.db2.gz BYSIWCOWRSWACN-JLLWLGSASA-N 2 0 237.347 0.620 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000059931551 386462492 /nfs/dbraw/zinc/46/24/92/386462492.db2.gz AFNYHQPSFOAKRU-ZDUSSCGKSA-N 2 0 247.342 0.897 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000638422707 386463025 /nfs/dbraw/zinc/46/30/25/386463025.db2.gz HKPKLIJOTGVWCC-VWYCJHECSA-N 2 0 227.352 0.570 20 0 BCADRP C[N@H+](CCNC(=O)C1([NH3+])CCCC1)C1CC1 ZINC000059931540 386463501 /nfs/dbraw/zinc/46/35/01/386463501.db2.gz UEDQTCJGYSPNTJ-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000417625482 386463512 /nfs/dbraw/zinc/46/35/12/386463512.db2.gz MKONLCXFLUWLNA-SNVBAGLBSA-N 2 0 240.351 0.084 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)NCC[N@H+](C)C1CC1 ZINC000417625429 386463869 /nfs/dbraw/zinc/46/38/69/386463869.db2.gz MCSCAFBWUVXSPC-SECBINFHSA-N 2 0 228.340 0.069 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000647779034 386576456 /nfs/dbraw/zinc/57/64/56/386576456.db2.gz MWPCLQRWCVKZOL-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335414307 386580127 /nfs/dbraw/zinc/58/01/27/386580127.db2.gz AZRNARXWYRFJFW-LBPRGKRZSA-N 2 0 239.363 0.858 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)NCC1C[NH2+]C1 ZINC000335415818 386582186 /nfs/dbraw/zinc/58/21/86/386582186.db2.gz WORLLAFUGCUDFV-JTQLQIEISA-N 2 0 225.336 0.100 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[C@@H](C)CC[NH2+]2)C1 ZINC000647779785 386582338 /nfs/dbraw/zinc/58/23/38/386582338.db2.gz QZAFMLNPGAEUSZ-SDDRHHMPSA-N 2 0 239.363 0.442 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NCC1C[NH2+]C1 ZINC000335415820 386582690 /nfs/dbraw/zinc/58/26/90/386582690.db2.gz WORLLAFUGCUDFV-SNVBAGLBSA-N 2 0 225.336 0.100 20 0 BCADRP CN(C)c1nccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000414800760 386587131 /nfs/dbraw/zinc/58/71/31/386587131.db2.gz LICVCTLLOFHSEM-JQWIXIFHSA-N 2 0 249.362 0.760 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062902354 386531501 /nfs/dbraw/zinc/53/15/01/386531501.db2.gz JKPHKKKZSLURTM-ZDUSSCGKSA-N 2 0 239.363 0.444 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062971981 386534581 /nfs/dbraw/zinc/53/45/81/386534581.db2.gz YABOFKWGGPVFSE-ZJUUUORDSA-N 2 0 245.392 0.229 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062972562 386535818 /nfs/dbraw/zinc/53/58/18/386535818.db2.gz BLAHZEGQBYVESY-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)Cn1cccn1 ZINC000414789124 386535977 /nfs/dbraw/zinc/53/59/77/386535977.db2.gz FALZLFYDFVIBCT-WDEREUQCSA-N 2 0 210.325 0.845 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)CC[NH2+]C)C1 ZINC000062972604 386536138 /nfs/dbraw/zinc/53/61/38/386536138.db2.gz YQNNGBWPQWUXRN-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000519702144 386536879 /nfs/dbraw/zinc/53/68/79/386536879.db2.gz GFZSPGOHWCFUOJ-XHNCKOQMSA-N 2 0 247.289 0.179 20 0 BCADRP Cc1ccc(CN(C)C[C@@H](O)C[NH3+])cc1F ZINC000415056838 386537120 /nfs/dbraw/zinc/53/71/20/386537120.db2.gz OSQLSMXPAWDSPN-NSHDSACASA-N 2 0 226.295 0.886 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000417681830 386538960 /nfs/dbraw/zinc/53/89/60/386538960.db2.gz KDYCPSHGSCQPFA-UWVGGRQHSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@H](CC(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415059758 386540832 /nfs/dbraw/zinc/54/08/32/386540832.db2.gz YWAIEZGHUAQGOO-NQBHXWOUSA-N 2 0 241.379 0.770 20 0 BCADRP Cn1cc(CN[C@H](C[NH3+])C(C)(C)C)cn1 ZINC000415061545 386540954 /nfs/dbraw/zinc/54/09/54/386540954.db2.gz YJSHFGVAYYUENA-SNVBAGLBSA-N 2 0 210.325 0.883 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H](C)[NH3+])C1 ZINC000193321332 386547939 /nfs/dbraw/zinc/54/79/39/386547939.db2.gz JIINUHQGBYVVOU-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP CCO[C@@H]1C[C@@H]1[NH2+][C@H](CCC[NH3+])COC ZINC000519762373 386551556 /nfs/dbraw/zinc/55/15/56/386551556.db2.gz INPIPZDBJKXAHT-OUAUKWLOSA-N 2 0 216.325 0.507 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000519776881 386554953 /nfs/dbraw/zinc/55/49/53/386554953.db2.gz YZLVDWZVHGCAFA-WDEREUQCSA-N 2 0 227.352 0.348 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000519776120 386555288 /nfs/dbraw/zinc/55/52/88/386555288.db2.gz YITAUCLNZFRWPU-UTUOFQBUSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000417691476 386558682 /nfs/dbraw/zinc/55/86/82/386558682.db2.gz WVBQCAXRSZQVQL-UWVGGRQHSA-N 2 0 240.351 0.260 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000417690167 386559507 /nfs/dbraw/zinc/55/95/07/386559507.db2.gz UMKVYFSOOMPBBS-ZJUUUORDSA-N 2 0 240.351 0.260 20 0 BCADRP CC(C)C[C@@H]([NH3+])CNCCCN1CC[NH2+]CC1 ZINC000414794711 386560012 /nfs/dbraw/zinc/56/00/12/386560012.db2.gz MAGNEDJUYKECDJ-CYBMUJFWSA-N 2 0 242.411 0.245 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000062112052 386566422 /nfs/dbraw/zinc/56/64/22/386566422.db2.gz RFDSIUMZOPTGHY-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP C[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000335497158 386620687 /nfs/dbraw/zinc/62/06/87/386620687.db2.gz WXCWVEIHSWCWLK-MRVPVSSYSA-N 2 0 219.288 0.823 20 0 BCADRP COc1ccc2c(c1)OC[C@@H](N[C@H]1CC[NH2+]C1)C2 ZINC000415102116 386624787 /nfs/dbraw/zinc/62/47/87/386624787.db2.gz JIVKFCFJUCILEA-RYUDHWBXSA-N 2 0 248.326 0.950 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000124431635 386632616 /nfs/dbraw/zinc/63/26/16/386632616.db2.gz WMMJJLLJZPOWKX-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647906588 386635710 /nfs/dbraw/zinc/63/57/10/386635710.db2.gz HDELQMUNJXJOMH-PWSUYJOCSA-N 2 0 235.331 0.554 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647906587 386637504 /nfs/dbraw/zinc/63/75/04/386637504.db2.gz HDELQMUNJXJOMH-JQWIXIFHSA-N 2 0 235.331 0.554 20 0 BCADRP Cc1noc(CCC[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000647906743 386638590 /nfs/dbraw/zinc/63/85/90/386638590.db2.gz XZLQZXHQKYAXIL-MWLCHTKSSA-N 2 0 238.335 0.980 20 0 BCADRP Cc1noc(CCC[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000647906742 386640819 /nfs/dbraw/zinc/64/08/19/386640819.db2.gz XZLQZXHQKYAXIL-KOLCDFICSA-N 2 0 238.335 0.980 20 0 BCADRP COC[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)OC ZINC000336758682 386647042 /nfs/dbraw/zinc/64/70/42/386647042.db2.gz IMLCRCITUJZBOE-SDDRHHMPSA-N 2 0 230.352 0.578 20 0 BCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH3+] ZINC000335511858 386647626 /nfs/dbraw/zinc/64/76/26/386647626.db2.gz AWIOJXHPSYTNSK-GHMZBOCLSA-N 2 0 237.347 0.420 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000062942844 386648467 /nfs/dbraw/zinc/64/84/67/386648467.db2.gz SKWZOSIVWFMXHE-ZJUUUORDSA-N 2 0 211.309 0.030 20 0 BCADRP Cc1nc[nH]c1CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279241175 386653722 /nfs/dbraw/zinc/65/37/22/386653722.db2.gz SLPCXUJXXCABEA-GFCCVEGCSA-N 2 0 248.330 0.961 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000335423633 386599558 /nfs/dbraw/zinc/59/95/58/386599558.db2.gz NVDBEVHQTSCKKZ-SKDRFNHKSA-N 2 0 239.363 0.700 20 0 BCADRP CC[N@H+](CCCO)C[C@@H](O)CN(C)C1CC1 ZINC000336645339 386599489 /nfs/dbraw/zinc/59/94/89/386599489.db2.gz CXEYBLHYJVGHOB-LBPRGKRZSA-N 2 0 230.352 0.146 20 0 BCADRP [NH3+]CCNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000335488562 386604752 /nfs/dbraw/zinc/60/47/52/386604752.db2.gz VJZGWHPPWDHECO-LBPRGKRZSA-N 2 0 248.330 0.213 20 0 BCADRP C1C[C@@H]([NH2+][C@H]2CCC[C@H]3OCC[C@@H]32)C[NH2+]1 ZINC000415087153 386606740 /nfs/dbraw/zinc/60/67/40/386606740.db2.gz KPBKBHPOEBEMQJ-WISYIIOYSA-N 2 0 210.321 0.896 20 0 BCADRP CC(C)(C)[C@@H](O)C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415090462 386610546 /nfs/dbraw/zinc/61/05/46/386610546.db2.gz OXOKRGSOSFFATE-CMPLNLGQSA-N 2 0 214.353 0.983 20 0 BCADRP Cc1nc[nH]c1CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000278967443 386612063 /nfs/dbraw/zinc/61/20/63/386612063.db2.gz XFGMUJHNKVSQMT-VIFPVBQESA-N 2 0 238.335 0.717 20 0 BCADRP CC[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@H]1C[C@H]1C ZINC000520393205 386660593 /nfs/dbraw/zinc/66/05/93/386660593.db2.gz RYELNEAALFRMIP-WOPDTQHZSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@]1(C[NH3+])CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000647954732 386682170 /nfs/dbraw/zinc/68/21/70/386682170.db2.gz UPHXJZGKZWLELD-NWDGAFQWSA-N 3 0 211.353 0.657 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000062972549 386666416 /nfs/dbraw/zinc/66/64/16/386666416.db2.gz RNWQBLBLRWLBGO-VHSXEESVSA-N 2 0 213.325 0.276 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062972292 386667788 /nfs/dbraw/zinc/66/77/88/386667788.db2.gz VJWQHOQVGHCDCY-GHMZBOCLSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)C[NH+](C)C ZINC000425934031 386671260 /nfs/dbraw/zinc/67/12/60/386671260.db2.gz YSLHEFXSOKKABM-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)C[NH+](C)C ZINC000425934032 386672065 /nfs/dbraw/zinc/67/20/65/386672065.db2.gz YSLHEFXSOKKABM-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H](N[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000414822159 386671981 /nfs/dbraw/zinc/67/19/81/386671981.db2.gz MRENSVCVAWEWBS-TUAOUCFPSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@H]1C[C@H](C[NH2+][C@@H]2CCCNC2)CC[NH2+]1 ZINC000414926856 386673446 /nfs/dbraw/zinc/67/34/46/386673446.db2.gz NUGOSWHTALOCLQ-QJPTWQEYSA-N 2 0 211.353 0.716 20 0 BCADRP CC(C)C[C@@H]([NH3+])C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414843236 583413922 /nfs/dbraw/zinc/41/39/22/583413922.db2.gz CAMQUHOWPFCRMK-NWDGAFQWSA-N 3 0 213.369 0.949 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000335475440 386698279 /nfs/dbraw/zinc/69/82/79/386698279.db2.gz AJUWTIBKNKASMM-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)CCC[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000336649005 386702178 /nfs/dbraw/zinc/70/21/78/386702178.db2.gz CVMWYGXUTQPIQJ-WDEREUQCSA-N 2 0 200.326 0.593 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000335477413 386704442 /nfs/dbraw/zinc/70/44/42/386704442.db2.gz FZEXXXWBOKJKIG-MNOVXSKESA-N 2 0 227.352 0.666 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CC)C[C@@H]1C ZINC000520603943 386704398 /nfs/dbraw/zinc/70/43/98/386704398.db2.gz GNZWLADTFFQOPX-STQMWFEESA-N 2 0 243.395 0.325 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000335481299 386707695 /nfs/dbraw/zinc/70/76/95/386707695.db2.gz VHOXLUUJEWKLLH-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP CN(CCOCC[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000357078910 386712804 /nfs/dbraw/zinc/71/28/04/386712804.db2.gz KMVAXAMBYXEDFU-GFCCVEGCSA-N 2 0 227.352 0.130 20 0 BCADRP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)OCC1CC1 ZINC000357083388 386715450 /nfs/dbraw/zinc/71/54/50/386715450.db2.gz PDQPTALEVUXFJT-OLZOCXBDSA-N 2 0 224.348 0.954 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C1 ZINC000417781981 386716584 /nfs/dbraw/zinc/71/65/84/386716584.db2.gz LCARAVPIYXMXRT-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@@H](C)CC[NH2+]2)C1 ZINC000417781979 386716783 /nfs/dbraw/zinc/71/67/83/386716783.db2.gz LCARAVPIYXMXRT-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)C1 ZINC000417781980 386717362 /nfs/dbraw/zinc/71/73/62/386717362.db2.gz LCARAVPIYXMXRT-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H](C)C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000093110019 386721490 /nfs/dbraw/zinc/72/14/90/386721490.db2.gz CYDULJRWODVQGR-WDEREUQCSA-N 2 0 202.342 0.935 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645105483 386722797 /nfs/dbraw/zinc/72/27/97/386722797.db2.gz RLXZMFGTWBLDPX-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417792731 386729088 /nfs/dbraw/zinc/72/90/88/386729088.db2.gz YPHCOBPLMMCFIK-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH2+]C)C1 ZINC000357240652 386744893 /nfs/dbraw/zinc/74/48/93/386744893.db2.gz JRCCGHIGTJPZNA-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000357236378 386745225 /nfs/dbraw/zinc/74/52/25/386745225.db2.gz CVMZDWAVLXKZCK-FXPVBKGRSA-N 2 0 225.336 0.180 20 0 BCADRP [NH3+][C@H]1CCC[C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000366530981 386751786 /nfs/dbraw/zinc/75/17/86/386751786.db2.gz RSHHFTRIHQNWOF-FIQHERPVSA-N 2 0 237.347 0.324 20 0 BCADRP CC[N@H+](CC(=O)N1CCN(C)CC1)C1CCC1 ZINC000357304568 386757197 /nfs/dbraw/zinc/75/71/97/386757197.db2.gz JZLUUPQDCQSAJW-UHFFFAOYSA-N 2 0 239.363 0.635 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357319853 386758951 /nfs/dbraw/zinc/75/89/51/386758951.db2.gz XKQOCPIKHKSGGC-FYLLDIAZSA-N 2 0 227.352 0.617 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000357318497 386759402 /nfs/dbraw/zinc/75/94/02/386759402.db2.gz USAAMWCCAKNRRI-GMXVVIOVSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000357385737 386769899 /nfs/dbraw/zinc/76/98/99/386769899.db2.gz XLMBPOAHNBQGFQ-RYUDHWBXSA-N 2 0 241.379 0.947 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000417800895 386763079 /nfs/dbraw/zinc/76/30/79/386763079.db2.gz TXMHPXRZOCGYFH-OUAUKWLOSA-N 2 0 227.352 0.346 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000357348661 386765372 /nfs/dbraw/zinc/76/53/72/386765372.db2.gz RFWCKDHJKZSUEW-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000357354513 386766498 /nfs/dbraw/zinc/76/64/98/386766498.db2.gz OCAYILQQKWKLAS-MNOVXSKESA-N 2 0 227.352 0.844 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357356327 386766852 /nfs/dbraw/zinc/76/68/52/386766852.db2.gz QUHYZAZYUQELPR-SNVBAGLBSA-N 2 0 227.352 0.701 20 0 BCADRP O=C1NCC[C@@H]1[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000269253532 386768630 /nfs/dbraw/zinc/76/86/30/386768630.db2.gz CLUQFIWGGAKRNJ-UWVGGRQHSA-N 2 0 234.303 0.478 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@]12C[NH2+]C[C@H]1CCCC2 ZINC000357231470 386741314 /nfs/dbraw/zinc/74/13/14/386741314.db2.gz ZVQHVWYZJFMHDG-WZRBSPASSA-N 2 0 239.363 0.477 20 0 BCADRP [NH3+]C[C@@H](N[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000414838939 386742373 /nfs/dbraw/zinc/74/23/73/386742373.db2.gz KYVMEXYIFATODR-VXGBXAGGSA-N 2 0 211.353 0.846 20 0 BCADRP Cn1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1=O ZINC000647908299 386744238 /nfs/dbraw/zinc/74/42/38/386744238.db2.gz MGSWZHWULZTTGB-CQSZACIVSA-N 2 0 247.342 0.571 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417829753 386789644 /nfs/dbraw/zinc/78/96/44/386789644.db2.gz ITGLGNQZWDTUFS-MWLCHTKSSA-N 2 0 227.352 0.748 20 0 BCADRP CN1CC[C@@](O)(C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000417988434 386790939 /nfs/dbraw/zinc/79/09/39/386790939.db2.gz KAKLDTLEXIYHHT-ZYHUDNBSSA-N 2 0 228.336 0.210 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417810495 386791024 /nfs/dbraw/zinc/79/10/24/386791024.db2.gz INLIHNXYXHVFOI-UWVGGRQHSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417810494 386791363 /nfs/dbraw/zinc/79/13/63/386791363.db2.gz INLIHNXYXHVFOI-NXEZZACHSA-N 2 0 227.352 0.476 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000417835312 386793505 /nfs/dbraw/zinc/79/35/05/386793505.db2.gz NRYOAOAZDQUBCA-KXUCPTDWSA-N 2 0 213.325 0.310 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000417835314 386793534 /nfs/dbraw/zinc/79/35/34/386793534.db2.gz NRYOAOAZDQUBCA-UTLUCORTSA-N 2 0 213.325 0.310 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000417835313 386793716 /nfs/dbraw/zinc/79/37/16/386793716.db2.gz NRYOAOAZDQUBCA-LPEHRKFASA-N 2 0 213.325 0.310 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000417833337 386793737 /nfs/dbraw/zinc/79/37/37/386793737.db2.gz JGKYREFBOGWUSX-DTWKUNHWSA-N 2 0 215.341 0.603 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000417831630 386794069 /nfs/dbraw/zinc/79/40/69/386794069.db2.gz HZJOHFQXYVMSHM-NQBHXWOUSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000417837298 386795331 /nfs/dbraw/zinc/79/53/31/386795331.db2.gz MDBITOVOIIZNDV-VWYCJHECSA-N 2 0 225.336 0.182 20 0 BCADRP CC1(C)C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CO1 ZINC000396537576 386772897 /nfs/dbraw/zinc/77/28/97/386772897.db2.gz QGNUALXGKPNNTJ-RYUDHWBXSA-N 2 0 242.363 0.600 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000019408870 386777314 /nfs/dbraw/zinc/77/73/14/386777314.db2.gz LUTODMMKZYXWOU-LLVKDONJSA-N 2 0 241.379 0.690 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000417813993 386780388 /nfs/dbraw/zinc/78/03/88/386780388.db2.gz MQPZLFBNJIEKQQ-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000417812605 386780783 /nfs/dbraw/zinc/78/07/83/386780783.db2.gz PVRZPUMMMGLRCP-FBIMIBRVSA-N 2 0 225.336 0.228 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000417812580 386781086 /nfs/dbraw/zinc/78/10/86/386781086.db2.gz OSCHDGWOUNTBOM-UWVGGRQHSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417813388 386781574 /nfs/dbraw/zinc/78/15/74/386781574.db2.gz GLBSCBRAQIIAPR-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000417827231 386783453 /nfs/dbraw/zinc/78/34/53/386783453.db2.gz CZZLKDNYAFGNIZ-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417839038 386796805 /nfs/dbraw/zinc/79/68/05/386796805.db2.gz RDRJJFQXSQCVNK-KKOKHZNYSA-N 2 0 237.347 0.195 20 0 BCADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)C[NH3+] ZINC000417841849 386798531 /nfs/dbraw/zinc/79/85/31/386798531.db2.gz UIXDTHSCUOYRJX-LLVKDONJSA-N 2 0 221.304 0.324 20 0 BCADRP CN(C(=O)C[C@@H]1CCC[NH2+]1)[C@H](C[NH3+])C1CC1 ZINC000417845074 386798617 /nfs/dbraw/zinc/79/86/17/386798617.db2.gz RRPHBOAEZGKCNU-WDEREUQCSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000417845124 386799129 /nfs/dbraw/zinc/79/91/29/386799129.db2.gz RWXJPQJWJASXNG-DCAQKATOSA-N 2 0 241.379 0.864 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417851716 386802392 /nfs/dbraw/zinc/80/23/92/386802392.db2.gz NPSLLXUORDBMPL-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000417848238 386804220 /nfs/dbraw/zinc/80/42/20/386804220.db2.gz KISUAXWXEKCTFT-HBNTYKKESA-N 2 0 242.367 0.506 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000417845584 386805442 /nfs/dbraw/zinc/80/54/42/386805442.db2.gz SDUGERDXLZDUKM-SECBINFHSA-N 2 0 215.341 0.476 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000417848603 386807485 /nfs/dbraw/zinc/80/74/85/386807485.db2.gz VQJXOUWRHLUANE-NQBHXWOUSA-N 2 0 239.363 0.429 20 0 BCADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCn1cncn1 ZINC000336672490 386824373 /nfs/dbraw/zinc/82/43/73/386824373.db2.gz SVFFIGBRFYQMCK-NSHDSACASA-N 2 0 225.340 0.583 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000417850444 386808151 /nfs/dbraw/zinc/80/81/51/386808151.db2.gz XPHQHITVLCMUMU-SRVKXCTJSA-N 2 0 241.379 0.803 20 0 BCADRP C[C@@H]1[C@H](NC(=O)N2CC[C@H]([NH3+])C2)CCC[N@@H+]1C ZINC000417993831 386808809 /nfs/dbraw/zinc/80/88/09/386808809.db2.gz BBMYQEVVBLNDOX-OUAUKWLOSA-N 2 0 240.351 0.212 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417848583 386809116 /nfs/dbraw/zinc/80/91/16/386809116.db2.gz VOWPWEASLOFSAB-VWYCJHECSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@H]1[C@H](NC(=O)N2CC[NH2+]CC2)CCC[N@@H+]1C ZINC000417993820 386809893 /nfs/dbraw/zinc/80/98/93/386809893.db2.gz BAKRDTIDCZEWMW-WDEREUQCSA-N 2 0 240.351 0.084 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)C[C@@H](C)[NH3+] ZINC000336673021 386832672 /nfs/dbraw/zinc/83/26/72/386832672.db2.gz OHVSEOKUPGFRAB-MWLCHTKSSA-N 2 0 215.341 0.603 20 0 BCADRP CCN(CC[NH3+])C(=O)c1ccc(C[NH3+])cc1 ZINC000638522636 386844209 /nfs/dbraw/zinc/84/42/09/386844209.db2.gz LWFNCULECWFIGE-UHFFFAOYSA-N 2 0 221.304 0.566 20 0 BCADRP CN(C)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341176994 386852164 /nfs/dbraw/zinc/85/21/64/386852164.db2.gz SRJDUGJNAFSNLB-UHFFFAOYSA-N 2 0 227.352 0.348 20 0 BCADRP CN(C)C(=O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341182220 386852692 /nfs/dbraw/zinc/85/26/92/386852692.db2.gz IFAMXQUHUMPVTQ-UHFFFAOYSA-N 2 0 241.379 0.738 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NCC[NH2+]C(C)(C)C ZINC000414937995 386857174 /nfs/dbraw/zinc/85/71/74/386857174.db2.gz VUBLYFMVPPLBNT-WDEREUQCSA-N 2 0 213.369 0.962 20 0 BCADRP [NH3+]C1(CN[C@@H]2CC[NH2+]C2)CCCCCC1 ZINC000334837364 386879373 /nfs/dbraw/zinc/87/93/73/386879373.db2.gz LDJICPNHZZVPTB-LLVKDONJSA-N 2 0 211.353 0.990 20 0 BCADRP COC[C@]1(CNC[C@@H]([NH3+])CC(C)C)CCC[NH2+]1 ZINC000414942401 386888739 /nfs/dbraw/zinc/88/87/39/386888739.db2.gz BUABJTNWHDTDTC-QWHCGFSZSA-N 2 0 243.395 0.718 20 0 BCADRP [NH3+][C@@H](C(=O)NCC1([NH3+])CCCCC1)C1CCC1 ZINC000331874303 386919532 /nfs/dbraw/zinc/91/95/32/386919532.db2.gz MKYIDRGNDAIWRM-LLVKDONJSA-N 2 0 239.363 0.892 20 0 BCADRP C[C@H]1C[C@@H](C[N@@H+]2CCN(C)C(=O)C2)CC[NH2+]1 ZINC000334852871 386902865 /nfs/dbraw/zinc/90/28/65/386902865.db2.gz BKJNDGJXJNLGIV-QWRGUYRKSA-N 2 0 225.336 0.149 20 0 BCADRP [NH3+]CCCN1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000334860425 386912997 /nfs/dbraw/zinc/91/29/97/386912997.db2.gz SJAQZVMVNQXODF-VHSXEESVSA-N 2 0 211.309 0.078 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000334877923 386938524 /nfs/dbraw/zinc/93/85/24/386938524.db2.gz DQVLKDMXRQEOHT-NEPJUHHUSA-N 2 0 241.379 0.878 20 0 BCADRP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368088904 386938797 /nfs/dbraw/zinc/93/87/97/386938797.db2.gz GQHVVPSWWVCJHG-WOPDTQHZSA-N 2 0 237.347 0.196 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368101119 386942385 /nfs/dbraw/zinc/94/23/85/386942385.db2.gz SMRUQXJRQYHNGH-SRVKXCTJSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000332018985 386943032 /nfs/dbraw/zinc/94/30/32/386943032.db2.gz QPAQVEBEKYXMSS-WDEREUQCSA-N 2 0 242.367 0.378 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000368122728 386943742 /nfs/dbraw/zinc/94/37/42/386943742.db2.gz BYDIJHMOMHEVNK-VXGBXAGGSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000334817907 386944814 /nfs/dbraw/zinc/94/48/14/386944814.db2.gz ADYRUYNGEQSTPX-AAEUAGOBSA-N 3 0 225.380 0.903 20 0 BCADRP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CN(C)C[C@H]1C ZINC000358412116 386952271 /nfs/dbraw/zinc/95/22/71/386952271.db2.gz XZCNQTLZORUISN-WZRBSPASSA-N 2 0 236.363 0.891 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000334890067 386962578 /nfs/dbraw/zinc/96/25/78/386962578.db2.gz MVSUEZJYNOCLQO-JQWIXIFHSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CCCC[NH2+]1 ZINC000368372845 386966815 /nfs/dbraw/zinc/96/68/15/386966815.db2.gz CHVJYMOQPGQHFM-LOWVWBTDSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000332180690 386966893 /nfs/dbraw/zinc/96/68/93/386966893.db2.gz OOTSNDGNANYIII-NGZCFLSTSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H](C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)[C@H](C)[NH3+] ZINC000368460206 386974718 /nfs/dbraw/zinc/97/47/18/386974718.db2.gz AIPVTHAKRNFLCR-OUAUKWLOSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)C1CC1 ZINC000368537731 386983486 /nfs/dbraw/zinc/98/34/86/386983486.db2.gz JPLSLOURUJIDOJ-NQBHXWOUSA-N 2 0 237.347 0.230 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC[NH2+]C1 ZINC000368562420 386983672 /nfs/dbraw/zinc/98/36/72/386983672.db2.gz PSGUZJNSGLGXIF-NHCYSSNCSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000334920894 386996888 /nfs/dbraw/zinc/99/68/88/386996888.db2.gz BOFFHYPHPRCRNU-QWRGUYRKSA-N 2 0 240.351 0.084 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+](C)C ZINC000368684620 387001664 /nfs/dbraw/zinc/00/16/64/387001664.db2.gz VQQHJUPZLJZYOE-MNOVXSKESA-N 2 0 227.352 0.298 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCC[NH3+] ZINC000368687144 387002201 /nfs/dbraw/zinc/00/22/01/387002201.db2.gz IUEQTWBXPMYYFY-WDEREUQCSA-N 2 0 227.352 0.476 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368210772 386949515 /nfs/dbraw/zinc/94/95/15/386949515.db2.gz DKIGZAZMDUSVOX-AXFHLTTASA-N 2 0 237.347 0.372 20 0 BCADRP C[C@H]1NCCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000334822828 386951171 /nfs/dbraw/zinc/95/11/71/386951171.db2.gz XGSITQYDKWAAFW-ZYHUDNBSSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333435454 387035331 /nfs/dbraw/zinc/03/53/31/387035331.db2.gz VHVIEJQGGWPCJE-HBNTYKKESA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000398998471 387036935 /nfs/dbraw/zinc/03/69/35/387036935.db2.gz BKLDRYRWUGVMHR-CMPLNLGQSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]C[C@@H](NC(=O)N1CC[C@@H]([NH3+])C1)C1CCCC1 ZINC000334962155 387043301 /nfs/dbraw/zinc/04/33/01/387043301.db2.gz REBQJUFTSKSBHE-GHMZBOCLSA-N 2 0 240.351 0.247 20 0 BCADRP CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074209 387043365 /nfs/dbraw/zinc/04/33/65/387043365.db2.gz HQVBZERFBOSMGL-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]([NH3+])CC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000648107073 387043609 /nfs/dbraw/zinc/04/36/09/387043609.db2.gz VVXSYGIYTFFSME-SCZZXKLOSA-N 2 0 248.330 0.573 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C1CC[NH2+]CC1 ZINC000237334775 387050813 /nfs/dbraw/zinc/05/08/13/387050813.db2.gz UAICEVMRSZRREL-PWSUYJOCSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]C[C@@H]1CCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333735774 387051873 /nfs/dbraw/zinc/05/18/73/387051873.db2.gz WXBPOBXEGXRJBB-QWRGUYRKSA-N 2 0 240.351 0.261 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000333707001 387051901 /nfs/dbraw/zinc/05/19/01/387051901.db2.gz RQIHRPROKAAMJF-OUAUKWLOSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC2([NH3+])CCC2)C1 ZINC000334969842 387054299 /nfs/dbraw/zinc/05/42/99/387054299.db2.gz FKTCGMPSINQCML-ZJUUUORDSA-N 2 0 225.336 0.372 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000648108243 387056015 /nfs/dbraw/zinc/05/60/15/387056015.db2.gz OLFNEWGWXXCIIV-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648108469 387058683 /nfs/dbraw/zinc/05/86/83/387058683.db2.gz YZPBUZMLUWGFKV-NNYUYHANSA-N 2 0 237.347 0.052 20 0 BCADRP C[C@@H]1[C@H](C(=O)NCC2([NH3+])CCC2)CC[N@@H+]1C ZINC000648108699 387061899 /nfs/dbraw/zinc/06/18/99/387061899.db2.gz VEVINNGOHNLVQX-NXEZZACHSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@@H]3CCCC[NH2+]3)C[C@H]12 ZINC000648109163 387064990 /nfs/dbraw/zinc/06/49/90/387064990.db2.gz CEGAKGSHZHSQCN-YFKTTZPYSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)C1CC([NH3+])C1 ZINC000334933946 387011205 /nfs/dbraw/zinc/01/12/05/387011205.db2.gz JLKWGDNGKQLYOC-AGVGLQIMSA-N 2 0 240.351 0.116 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)o1 ZINC000648103337 387019561 /nfs/dbraw/zinc/01/95/61/387019561.db2.gz NQZUSJSBLCDJMZ-JTQLQIEISA-N 2 0 249.314 0.705 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCC(C)(C)[NH3+])C1 ZINC000334943916 387022209 /nfs/dbraw/zinc/02/22/09/387022209.db2.gz KTAHNFKHGHSBIW-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC(C)(C)[NH3+])C1 ZINC000334943918 387022425 /nfs/dbraw/zinc/02/24/25/387022425.db2.gz KTAHNFKHGHSBIW-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000519165900 387024066 /nfs/dbraw/zinc/02/40/66/387024066.db2.gz IAOJOXKQWMIUQB-RNJOBUHISA-N 3 0 241.379 0.016 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)C[NH2+]C ZINC000359218834 387070417 /nfs/dbraw/zinc/07/04/17/387070417.db2.gz PGUPPQWZZUTMIE-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH+](C)C1(CNC(=O)NCCCC[NH3+])CCC1 ZINC000418054096 387077291 /nfs/dbraw/zinc/07/72/91/387077291.db2.gz DVGWPNVTSBCMDV-UHFFFAOYSA-N 2 0 242.367 0.509 20 0 BCADRP CN(CC[NH3+])C(=O)NCC1([NH+](C)C)CCC1 ZINC000418054237 387077449 /nfs/dbraw/zinc/07/74/49/387077449.db2.gz FDPFTTARSYMOQG-UHFFFAOYSA-N 2 0 228.340 0.071 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000648111253 387081726 /nfs/dbraw/zinc/08/17/26/387081726.db2.gz BEDWCDWMEWTRFT-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH+](C)C1(CNC(=O)NCCC[NH3+])CCC1 ZINC000418064726 387081724 /nfs/dbraw/zinc/08/17/24/387081724.db2.gz UWKJYLTWZSKJOU-UHFFFAOYSA-N 2 0 228.340 0.119 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000370223704 387098046 /nfs/dbraw/zinc/09/80/46/387098046.db2.gz VBPXMQFOJBOVCT-ADEWGFFLSA-N 2 0 233.315 0.287 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000071378475 387101662 /nfs/dbraw/zinc/10/16/62/387101662.db2.gz PFJSVJWMXCLJFZ-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@@H](C(=O)NC(C)(C)C[NH3+])[NH+](CC)CC ZINC000359436702 387102374 /nfs/dbraw/zinc/10/23/74/387102374.db2.gz XTCJJJBNIUJFGQ-JTQLQIEISA-N 2 0 229.368 0.960 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000335010057 387105533 /nfs/dbraw/zinc/10/55/33/387105533.db2.gz MIOOEVAKMHKMGM-MNOVXSKESA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCNC(=O)C1CC1 ZINC000160685101 387111857 /nfs/dbraw/zinc/11/18/57/387111857.db2.gz PFQSKAOCHLLXNK-RYUDHWBXSA-N 2 0 239.363 0.620 20 0 BCADRP CC[C@]1(C(=O)N2CCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000119217019 387112033 /nfs/dbraw/zinc/11/20/33/387112033.db2.gz PPNDFHVARPQQHX-JQWIXIFHSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@]1(F)C[NH2+]CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647981639 387114499 /nfs/dbraw/zinc/11/44/99/387114499.db2.gz CNFXEHLIYQTQOS-QWRGUYRKSA-N 2 0 215.316 0.229 20 0 BCADRP COC(=O)[C@H](C1CC1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000359600543 387132519 /nfs/dbraw/zinc/13/25/19/387132519.db2.gz REGKEFLRHCYNAI-JQWIXIFHSA-N 2 0 240.347 0.822 20 0 BCADRP CCC[NH2+]CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423312652 387151114 /nfs/dbraw/zinc/15/11/14/387151114.db2.gz SITSTACOWOVAAB-NWDGAFQWSA-N 2 0 213.369 0.964 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000250243168 387154562 /nfs/dbraw/zinc/15/45/62/387154562.db2.gz MYKPOFHKNQWAPD-WOPDTQHZSA-N 2 0 239.363 0.809 20 0 BCADRP CC[N@@H+]1C[C@@H](C)[C@H](NCC2([NH3+])CCC2)C1 ZINC000423343140 387192810 /nfs/dbraw/zinc/19/28/10/387192810.db2.gz ZGGVVLOOXYHLQN-GHMZBOCLSA-N 2 0 211.353 0.798 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)C(F)F ZINC000571763585 387163226 /nfs/dbraw/zinc/16/32/26/387163226.db2.gz KHNJZQHQGOFIHU-HTQZYQBOSA-N 2 0 235.278 0.227 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000571761076 387163517 /nfs/dbraw/zinc/16/35/17/387163517.db2.gz FFWQBSSGVOKYTH-PWSUYJOCSA-N 2 0 247.342 0.955 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062860052 387164749 /nfs/dbraw/zinc/16/47/49/387164749.db2.gz ZYXAOJGAXPUAHJ-AAEUAGOBSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000423323555 387166872 /nfs/dbraw/zinc/16/68/72/387166872.db2.gz ICTIZRKGGQDHIS-JHJVBQTASA-N 2 0 225.380 0.916 20 0 BCADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000336360748 387193435 /nfs/dbraw/zinc/19/34/35/387193435.db2.gz ZNPKDZGFVZPIIW-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000571802214 387173347 /nfs/dbraw/zinc/17/33/47/387173347.db2.gz IRWRYWNMYBZYPE-GARJFASQSA-N 2 0 227.352 0.761 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000571802212 387173919 /nfs/dbraw/zinc/17/39/19/387173919.db2.gz IRWRYWNMYBZYPE-DCAQKATOSA-N 2 0 227.352 0.761 20 0 BCADRP COc1ccc2c(c1)C[C@@H]([NH2+]CC1C[NH2+]C1)CO2 ZINC000423331698 387175595 /nfs/dbraw/zinc/17/55/95/387175595.db2.gz UTLVBGMJODHSCG-GFCCVEGCSA-N 2 0 248.326 0.808 20 0 BCADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCCC[NH3+] ZINC000423333035 387177597 /nfs/dbraw/zinc/17/75/97/387177597.db2.gz NTPUJCPJCZFXHC-JQWIXIFHSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]1C[C@H](NC[C@H]([NH3+])C2CC2)C[N@@H+]1C1CC1 ZINC000423337684 387186083 /nfs/dbraw/zinc/18/60/83/387186083.db2.gz YRGZBMZFXPNLJH-CDMKHQONSA-N 2 0 223.364 0.939 20 0 BCADRP COCC[NH2+]CCN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423339248 387187540 /nfs/dbraw/zinc/18/75/40/387187540.db2.gz SESUAPDNPKRHAD-VXGBXAGGSA-N 2 0 241.379 0.437 20 0 BCADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCO ZINC000371300064 387188268 /nfs/dbraw/zinc/18/82/68/387188268.db2.gz MOHHNBGQQNZEAW-UTUOFQBUSA-N 2 0 228.336 0.162 20 0 BCADRP CC(C)[C@H](C(=O)NCC1CC[NH2+]CC1)[NH+](C)C ZINC000120499017 387189465 /nfs/dbraw/zinc/18/94/65/387189465.db2.gz NAHCRBUHKFBLAE-GFCCVEGCSA-N 2 0 241.379 0.688 20 0 BCADRP C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000571883570 387191441 /nfs/dbraw/zinc/19/14/41/387191441.db2.gz BSESZVRCBQWMJY-SDDRHHMPSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000571883571 387191535 /nfs/dbraw/zinc/19/15/35/387191535.db2.gz BSESZVRCBQWMJY-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H](NCC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423352263 387203916 /nfs/dbraw/zinc/20/39/16/387203916.db2.gz AENIPDFTCZXPMM-UTUOFQBUSA-N 2 0 211.353 0.859 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000353448430 387204473 /nfs/dbraw/zinc/20/44/73/387204473.db2.gz MMHVKVJEOWMQER-TUAOUCFPSA-N 2 0 241.379 0.687 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336374083 387205445 /nfs/dbraw/zinc/20/54/45/387205445.db2.gz ZEUUCFWOENTPEN-STQMWFEESA-N 3 0 223.364 0.527 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000353462593 387207427 /nfs/dbraw/zinc/20/74/27/387207427.db2.gz SXOJGRFVPKBMAJ-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP COC[C@H](O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000300414286 387207949 /nfs/dbraw/zinc/20/79/49/387207949.db2.gz KUQNFOHZSMLBTJ-YVECIDJPSA-N 2 0 244.379 0.702 20 0 BCADRP C[C@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000423358468 387211284 /nfs/dbraw/zinc/21/12/84/387211284.db2.gz NKGPZKOINXECST-QJPTWQEYSA-N 2 0 223.364 0.953 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418192969 387213986 /nfs/dbraw/zinc/21/39/86/387213986.db2.gz BCKMOIDLTUGQHD-HBNTYKKESA-N 2 0 244.383 0.750 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)CC[NH3+] ZINC000418196454 387217156 /nfs/dbraw/zinc/21/71/56/387217156.db2.gz HLAZWEXBYVMURX-QWRGUYRKSA-N 2 0 244.383 0.752 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)CC[NH3+] ZINC000418202983 387218345 /nfs/dbraw/zinc/21/83/45/387218345.db2.gz UUYANDMEANYWDX-NSHDSACASA-N 2 0 244.383 0.707 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)[C@H](C)C[NH3+] ZINC000418205441 387220058 /nfs/dbraw/zinc/22/00/58/387220058.db2.gz ZBUMZDXOPBIUPR-WDEREUQCSA-N 2 0 244.383 0.704 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000418210674 387221404 /nfs/dbraw/zinc/22/14/04/387221404.db2.gz SSAYOTJFDODDCP-DCAQKATOSA-N 2 0 242.367 0.328 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH3+])C2CC2)CC[NH2+]1 ZINC000572156247 387253041 /nfs/dbraw/zinc/25/30/41/387253041.db2.gz CRPMCLPSLXWSRC-INTQDDNPSA-N 2 0 225.336 0.228 20 0 BCADRP C[NH+](C)CCOCC[NH2+]Cc1cccnc1 ZINC000230004977 387227688 /nfs/dbraw/zinc/22/76/88/387227688.db2.gz AOONCCCCBRVHCZ-UHFFFAOYSA-N 2 0 223.320 0.749 20 0 BCADRP C[NH+](C)C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000572102398 387234427 /nfs/dbraw/zinc/23/44/27/387234427.db2.gz QMIVHCNECGVNCI-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@H](C)CC[NH3+] ZINC000572119048 387239389 /nfs/dbraw/zinc/23/93/89/387239389.db2.gz GGMNQZHSAMPGJS-BDAKNGLRSA-N 2 0 201.314 0.228 20 0 BCADRP [NH3+]C[C@@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000336417944 387244096 /nfs/dbraw/zinc/24/40/96/387244096.db2.gz HTWURDSGPNQXDZ-NEPJUHHUSA-N 2 0 239.363 0.716 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000423406849 387244206 /nfs/dbraw/zinc/24/42/06/387244206.db2.gz VEBNLCBNETVXPI-ZDEQEGDKSA-N 2 0 225.380 0.914 20 0 BCADRP COC[C@@]1(CN[C@H](C)[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000423417507 387247632 /nfs/dbraw/zinc/24/76/32/387247632.db2.gz SLWBUMZFOKQTSH-UPJWGTAASA-N 2 0 241.379 0.485 20 0 BCADRP C[N@@H+]1CC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]2CCC[C@@H]21 ZINC000423420052 387248683 /nfs/dbraw/zinc/24/86/83/387248683.db2.gz AQZUNBCJMHXBHN-BSOLPCOYSA-N 2 0 235.375 0.667 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C[NH2+]C2CC2)C1 ZINC000572155912 387250259 /nfs/dbraw/zinc/25/02/59/387250259.db2.gz XLCSVHIXTGSOII-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCCC[NH2+]1 ZINC000423422008 387251032 /nfs/dbraw/zinc/25/10/32/387251032.db2.gz CGMKALKMMDBKSM-HHHUOAJASA-N 2 0 209.337 0.324 20 0 BCADRP CC[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCC[NH2+]1 ZINC000423423977 387251165 /nfs/dbraw/zinc/25/11/65/387251165.db2.gz FCUHVARSRCUKRY-LVEVGFFFSA-N 2 0 209.337 0.324 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423426307 387252166 /nfs/dbraw/zinc/25/21/66/387252166.db2.gz HPHJOAWTOXFGQH-PREPNJAASA-N 2 0 209.337 0.134 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH2+]C ZINC000418180869 387194664 /nfs/dbraw/zinc/19/46/64/387194664.db2.gz HZPNTBZETXLGGJ-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH2+]C)C1 ZINC000571893821 387195737 /nfs/dbraw/zinc/19/57/37/387195737.db2.gz FBNBFCMPIXWHRQ-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP CC[N@H+]1C[C@H](NC[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000423348143 387197987 /nfs/dbraw/zinc/19/79/87/387197987.db2.gz SSVZHTLTYZSHCT-SRVKXCTJSA-N 2 0 211.353 0.526 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)CC1(C[NH3+])CC1)C1CC1 ZINC000423349569 387199210 /nfs/dbraw/zinc/19/92/10/387199210.db2.gz WYBDFIAYMHOJAC-NSHDSACASA-N 2 0 239.363 0.572 20 0 BCADRP CCN1C[C@@H](C)[C@@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000423348626 387200259 /nfs/dbraw/zinc/20/02/59/387200259.db2.gz UOOWMPGTBVPLLV-YPMHNXCESA-N 2 0 223.364 0.836 20 0 BCADRP CC(C)[C@H]1CN(C(=O)CCC(C)(C)[NH3+])CC[NH2+]1 ZINC000648121517 387310152 /nfs/dbraw/zinc/31/01/52/387310152.db2.gz RPGNRCYJOWLFLE-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]CCC1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000514945641 387312343 /nfs/dbraw/zinc/31/23/43/387312343.db2.gz OCWPTEBYIJTMIW-GFCCVEGCSA-N 2 0 239.363 0.701 20 0 BCADRP [NH3+]CC1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000514953497 387313891 /nfs/dbraw/zinc/31/38/91/387313891.db2.gz XRKQRSHPVHKBAD-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]CC1(CC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000423468265 387314408 /nfs/dbraw/zinc/31/44/08/387314408.db2.gz ZBZNPCARSYEYCF-LLVKDONJSA-N 2 0 237.347 0.468 20 0 BCADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1(C)C ZINC000423429789 387255213 /nfs/dbraw/zinc/25/52/13/387255213.db2.gz KPIQPJYPBVLKLF-RNWYCLNJSA-N 2 0 224.348 0.997 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000648119753 387258001 /nfs/dbraw/zinc/25/80/01/387258001.db2.gz ZLUVSJSMQNGEPO-SNVBAGLBSA-N 2 0 227.352 0.762 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000336432900 387258579 /nfs/dbraw/zinc/25/85/79/387258579.db2.gz PNWQTRADPKNUHF-RYUDHWBXSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2CCC[NH2+]CC2)CCC[NH2+]C1 ZINC000648119885 387259775 /nfs/dbraw/zinc/25/97/75/387259775.db2.gz BFZYXSOKNHLBBG-YPMHNXCESA-N 2 0 239.363 0.634 20 0 BCADRP CC[NH2+][C@H](C)CN[C@@H](C)C(C)(C)n1cncn1 ZINC000423379587 387262491 /nfs/dbraw/zinc/26/24/91/387262491.db2.gz MDJRYZYBAHGIPT-MNOVXSKESA-N 2 0 239.367 0.989 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000645685053 387266805 /nfs/dbraw/zinc/26/68/05/387266805.db2.gz RUSJVBFHOKLBDW-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000645684964 387270297 /nfs/dbraw/zinc/27/02/97/387270297.db2.gz PARJQVVLACRSEW-LOWVWBTDSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC000423388164 387273874 /nfs/dbraw/zinc/27/38/74/387273874.db2.gz UBJPURFSKPPYBO-DDHJBXDOSA-N 2 0 211.353 0.715 20 0 BCADRP CC[NH2+][C@H](C)CN[C@H]1C[N@H+](CC)C[C@H]1C ZINC000423393110 387278087 /nfs/dbraw/zinc/27/80/87/387278087.db2.gz YKHMKAONZRRYIN-UTUOFQBUSA-N 2 0 213.369 0.914 20 0 BCADRP CC[NH2+][C@H](C)CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423393902 387279832 /nfs/dbraw/zinc/27/98/32/387279832.db2.gz ROLDASGNJPYMMW-QJPTWQEYSA-N 2 0 213.369 0.962 20 0 BCADRP CC/C=C\CNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000572227737 387280809 /nfs/dbraw/zinc/28/08/09/387280809.db2.gz VTPUVXPBJLNRRF-WYGGZMRJSA-N 2 0 240.351 0.237 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418375429 387285220 /nfs/dbraw/zinc/28/52/20/387285220.db2.gz TXWMKXHDQKXFEZ-JTQLQIEISA-N 2 0 242.367 0.555 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000336459601 387285378 /nfs/dbraw/zinc/28/53/78/387285378.db2.gz KRUSPFSVVXBICP-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]([NH3+])CCSC ZINC000572241141 387286276 /nfs/dbraw/zinc/28/62/76/387286276.db2.gz NGXBERNBFPFEJR-VIFPVBQESA-N 2 0 247.408 0.701 20 0 BCADRP CC[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCCC[NH2+]1 ZINC000423438895 387288371 /nfs/dbraw/zinc/28/83/71/387288371.db2.gz VRCLPMOMYLQILF-OBPIAQAESA-N 2 0 223.364 0.715 20 0 BCADRP CC1(C)[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]2CCCO[C@@H]21 ZINC000423442719 387292732 /nfs/dbraw/zinc/29/27/32/387292732.db2.gz VHBBRRSNZFPSGO-QXMWZZNTSA-N 2 0 236.359 0.997 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000514857580 387296412 /nfs/dbraw/zinc/29/64/12/387296412.db2.gz YRHMSRIJYOYAIS-ZYHUDNBSSA-N 2 0 239.363 0.442 20 0 BCADRP Cc1cc(N2CCCO[C@@H](C[NH3+])C2)cc[nH+]1 ZINC000313397711 387303445 /nfs/dbraw/zinc/30/34/45/387303445.db2.gz ZDGISKNJHMIJCS-LBPRGKRZSA-N 2 0 221.304 0.944 20 0 BCADRP CCC[C@H](C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)[NH+](C)C ZINC000423461562 387308347 /nfs/dbraw/zinc/30/83/47/387308347.db2.gz JUJYSIKNFQHDEM-QJPTWQEYSA-N 2 0 241.379 0.912 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000354291775 387355023 /nfs/dbraw/zinc/35/50/23/387355023.db2.gz PEJNUMALFPYHOH-VXGBXAGGSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000423603487 387385026 /nfs/dbraw/zinc/38/50/26/387385026.db2.gz HRTPHZAJDYIGGW-NXEZZACHSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@H]1C[NH2+]CCO1 ZINC000423530854 387359981 /nfs/dbraw/zinc/35/99/81/387359981.db2.gz XJICVMBAUYHZIN-RTXFEEFZSA-N 2 0 239.363 0.047 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000515300617 387360579 /nfs/dbraw/zinc/36/05/79/387360579.db2.gz MQZDULBGWZCUKN-MXWKQRLJSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538470 387363116 /nfs/dbraw/zinc/36/31/16/387363116.db2.gz MZIJSXGMIHVGBM-DGCLKSJQSA-N 2 0 223.364 0.836 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000643502728 387363547 /nfs/dbraw/zinc/36/35/47/387363547.db2.gz ORRYUAOKUOQJCS-WOPDTQHZSA-N 2 0 211.353 0.716 20 0 BCADRP CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC)[NH+](C)C ZINC000423603764 387384323 /nfs/dbraw/zinc/38/43/23/387384323.db2.gz HQGGTCIFJQFLIC-MNOVXSKESA-N 2 0 229.368 0.831 20 0 BCADRP CC[C@H](Cn1cncn1)[NH2+]CCC[NH2+]C1CC1 ZINC000423543509 387367728 /nfs/dbraw/zinc/36/77/28/387367728.db2.gz BZRUJDJMCHKAJJ-LLVKDONJSA-N 2 0 237.351 0.788 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000373436590 387368387 /nfs/dbraw/zinc/36/83/87/387368387.db2.gz VPYIJVBYLCEIBE-PWSUYJOCSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000423543887 387368455 /nfs/dbraw/zinc/36/84/55/387368455.db2.gz IBOVRKTZCCGHPU-VHSXEESVSA-N 2 0 225.336 0.230 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000515351615 387369903 /nfs/dbraw/zinc/36/99/03/387369903.db2.gz MULJHITVIIOFPQ-ZYHUDNBSSA-N 2 0 243.351 0.080 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000648122933 387373163 /nfs/dbraw/zinc/37/31/63/387373163.db2.gz DFGLELPMZKKSDX-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H](N[C@@H]1CCCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423552389 387373873 /nfs/dbraw/zinc/37/38/73/387373873.db2.gz JVLBCMVZHPALMA-IJLUTSLNSA-N 2 0 211.353 0.859 20 0 BCADRP CC[C@@H](C(=O)NCCCC[NH+](C)C)[NH+](C)C ZINC000360955870 387374269 /nfs/dbraw/zinc/37/42/69/387374269.db2.gz DWOBTIXUVOEPJI-NSHDSACASA-N 2 0 229.368 0.785 20 0 BCADRP C[C@@H](NCCC[NH2+]C1CC1)[C@H]1CCC[NH2+]1 ZINC000423555958 387375669 /nfs/dbraw/zinc/37/56/69/387375669.db2.gz MEAROCJILNVBDF-ZYHUDNBSSA-N 2 0 211.353 0.859 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NCCC[NH2+]C1CC1 ZINC000423567940 387376789 /nfs/dbraw/zinc/37/67/89/387376789.db2.gz VLYXFQUFGRFHEL-CMPLNLGQSA-N 2 0 211.353 0.846 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000191352922 387382485 /nfs/dbraw/zinc/38/24/85/387382485.db2.gz YKNSFQUXKWBLSR-GMTAPVOTSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000423473887 387320257 /nfs/dbraw/zinc/32/02/57/387320257.db2.gz GYIYMBHUGIFJHO-KXUCPTDWSA-N 2 0 233.306 0.714 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000643462775 387321185 /nfs/dbraw/zinc/32/11/85/387321185.db2.gz LVWJYTBXCFHSJA-JHJVBQTASA-N 2 0 223.364 0.940 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000643462781 387321908 /nfs/dbraw/zinc/32/19/08/387321908.db2.gz LVWJYTBXCFHSJA-YNEHKIRRSA-N 2 0 223.364 0.940 20 0 BCADRP C[C@]1(C(=O)NC2CC[NH2+]CC2)CCCC[NH2+]1 ZINC000336498322 387322199 /nfs/dbraw/zinc/32/21/99/387322199.db2.gz WPGDCUZPTYIWLB-GFCCVEGCSA-N 2 0 225.336 0.387 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423430664 387325960 /nfs/dbraw/zinc/32/59/60/387325960.db2.gz IDVGWGDLUBRWJX-YXCITZCRSA-N 2 0 237.391 0.914 20 0 BCADRP C[C@H]1CN(C)C[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423430663 387326577 /nfs/dbraw/zinc/32/65/77/387326577.db2.gz IDVGWGDLUBRWJX-SCUASFONSA-N 2 0 237.391 0.914 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000423483938 387328313 /nfs/dbraw/zinc/32/83/13/387328313.db2.gz QKBRMYKUCWYJJP-LPEHRKFASA-N 2 0 233.306 0.701 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372875211 387331334 /nfs/dbraw/zinc/33/13/34/387331334.db2.gz GOCOSIUUSOCVHM-MMWGEVLESA-N 2 0 225.336 0.180 20 0 BCADRP CC[C@@H](NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCC[NH2+]1 ZINC000423495730 387338688 /nfs/dbraw/zinc/33/86/88/387338688.db2.gz VCOBFOZVVOEGNA-UPJWGTAASA-N 2 0 241.379 0.485 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C12CCC[NH+]1CCC2 ZINC000423499518 387340477 /nfs/dbraw/zinc/34/04/77/387340477.db2.gz BSOHHMHYBLNRDO-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000572362301 387347873 /nfs/dbraw/zinc/34/78/73/387347873.db2.gz CPBODDFQDKWLTA-KOLCDFICSA-N 2 0 221.304 0.397 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](C)C[NH3+] ZINC000515223186 387348455 /nfs/dbraw/zinc/34/84/55/387348455.db2.gz JMQLBSCSWFHZNL-WDEREUQCSA-N 2 0 242.367 0.317 20 0 BCADRP COCC[N@@H+]1CC[C@@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000643501246 387352528 /nfs/dbraw/zinc/35/25/28/387352528.db2.gz AWHPBNBNMIKHKH-CHWSQXEVSA-N 2 0 241.379 0.439 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000423781857 387425888 /nfs/dbraw/zinc/42/58/88/387425888.db2.gz YEXLPXRUSVYLCY-GRYCIOLGSA-N 2 0 237.347 0.434 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000643469706 387426791 /nfs/dbraw/zinc/42/67/91/387426791.db2.gz BXYUYBBORNZXAH-CMPLNLGQSA-N 2 0 239.363 0.762 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418399709 387428689 /nfs/dbraw/zinc/42/86/89/387428689.db2.gz GLKRLZXFOCMYFJ-WDEREUQCSA-N 2 0 244.383 0.786 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000423816547 387431123 /nfs/dbraw/zinc/43/11/23/387431123.db2.gz KABWZRVUHGVEGB-LBPRGKRZSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000423808937 387432728 /nfs/dbraw/zinc/43/27/28/387432728.db2.gz XOBZBPKOIGOQFW-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000515843133 387433594 /nfs/dbraw/zinc/43/35/94/387433594.db2.gz RSNYMWONHIVBLJ-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423837651 387433628 /nfs/dbraw/zinc/43/36/28/387433628.db2.gz BGEKEDAIMDWROR-CMPLNLGQSA-N 2 0 241.379 0.912 20 0 BCADRP C[NH+](C)CCC1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000361296097 387434856 /nfs/dbraw/zinc/43/48/56/387434856.db2.gz IRZGWYGIZJYGOF-QWHCGFSZSA-N 2 0 242.363 0.410 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000648124287 387434857 /nfs/dbraw/zinc/43/48/57/387434857.db2.gz WROSQGYVRICSQO-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000516059237 387451694 /nfs/dbraw/zinc/45/16/94/387451694.db2.gz CYFRGMMPIABYFF-KKOKHZNYSA-N 2 0 239.363 0.700 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC)CC1 ZINC000038098300 387452549 /nfs/dbraw/zinc/45/25/49/387452549.db2.gz URPFCTFQAAZZFD-SNVBAGLBSA-N 2 0 213.325 0.324 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000423949947 387457568 /nfs/dbraw/zinc/45/75/68/387457568.db2.gz NNOAAPLCBAEDGI-NSHDSACASA-N 2 0 227.352 0.524 20 0 BCADRP CCC[C@@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+](C)C ZINC000423612056 387388152 /nfs/dbraw/zinc/38/81/52/387388152.db2.gz SYZVCWOGPSOPJX-TUAOUCFPSA-N 2 0 239.363 0.395 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH3+])[C@H]1C)[NH+](C)C ZINC000423656292 387391175 /nfs/dbraw/zinc/39/11/75/387391175.db2.gz WLLPFVALYMUTSL-MXWKQRLJSA-N 2 0 227.352 0.521 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423963310 387460023 /nfs/dbraw/zinc/46/00/23/387460023.db2.gz PNRNDJDCUAZLMA-GFCCVEGCSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000423656527 387391485 /nfs/dbraw/zinc/39/14/85/387391485.db2.gz XAIJRQSEYNFKMA-KXNHARMFSA-N 2 0 239.363 0.807 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000423656636 387392572 /nfs/dbraw/zinc/39/25/72/387392572.db2.gz XICAELQFNMYBCA-GRYCIOLGSA-N 2 0 239.363 0.809 20 0 BCADRP CCC[C@@H](C(=O)NC[C@H]([NH3+])CC)[NH+](C)C ZINC000423676279 387394928 /nfs/dbraw/zinc/39/49/28/387394928.db2.gz IQFWTKICEUDTEA-ZJUUUORDSA-N 2 0 215.341 0.570 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C[NH+]1CCC(C)CC1 ZINC000423677314 387395288 /nfs/dbraw/zinc/39/52/88/387395288.db2.gz JVLWYJWADUFFAV-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[C@@H](C(=O)NC[C@@H]([NH3+])CC)[NH+](C)C ZINC000423676275 387395420 /nfs/dbraw/zinc/39/54/20/387395420.db2.gz IQFWTKICEUDTEA-UWVGGRQHSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH3+] ZINC000423679644 387397825 /nfs/dbraw/zinc/39/78/25/387397825.db2.gz MEAGHUGWCOLTRT-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC000572402451 387399913 /nfs/dbraw/zinc/39/99/13/387399913.db2.gz NIVXMZSJNUTESD-BDAKNGLRSA-N 2 0 213.325 0.180 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000423744138 387406364 /nfs/dbraw/zinc/40/63/64/387406364.db2.gz NGGRKMYVJIYYSC-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000036871369 387408769 /nfs/dbraw/zinc/40/87/69/387408769.db2.gz FXKXMVMLOAVYOC-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP CO[C@@H](C)[C@@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000361175805 387410461 /nfs/dbraw/zinc/41/04/61/387410461.db2.gz STXNIKSYVBPKPM-NEPJUHHUSA-N 2 0 244.379 0.704 20 0 BCADRP CCN(C)C(=O)CC[NH2+]CC1([NH3+])CCC1 ZINC000515649967 387413579 /nfs/dbraw/zinc/41/35/79/387413579.db2.gz VNBCECYVVTXWFT-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCC[NH3+] ZINC000423769234 387418764 /nfs/dbraw/zinc/41/87/64/387418764.db2.gz GAZDSRMHUALZBO-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)C[NH3+] ZINC000423767081 387418788 /nfs/dbraw/zinc/41/87/88/387418788.db2.gz DFHOMABPLBNIIR-QJPTWQEYSA-N 2 0 239.363 0.666 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CC(C)(CCOC)C1 ZINC000514680528 387543323 /nfs/dbraw/zinc/54/33/23/387543323.db2.gz ZFYKOHDKGLJTPW-GFCCVEGCSA-N 2 0 244.379 0.657 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000516470147 387513872 /nfs/dbraw/zinc/51/38/72/387513872.db2.gz GPLMAUYTXWCPHL-IUCAKERBSA-N 2 0 213.325 0.371 20 0 BCADRP C[NH+](C)CCN(C(=O)C[NH+](C)C)C1CCCC1 ZINC000355340960 387521866 /nfs/dbraw/zinc/52/18/66/387521866.db2.gz LFTHZMDMAIDZEF-UHFFFAOYSA-N 2 0 241.379 0.881 20 0 BCADRP C[NH+](C)[C@@]1(C(=O)NCC[NH3+])CCc2ccccc21 ZINC000361734908 387526806 /nfs/dbraw/zinc/52/68/06/387526806.db2.gz TYKQNOZMNAUFBW-AWEZNQCLSA-N 2 0 247.342 0.465 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000361724731 387526814 /nfs/dbraw/zinc/52/68/14/387526814.db2.gz APXMZVAPVHSHEK-UTUOFQBUSA-N 2 0 237.347 0.420 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000424007345 387465822 /nfs/dbraw/zinc/46/58/22/387465822.db2.gz VGRGZBPXHCQTEH-RYUDHWBXSA-N 2 0 241.379 0.770 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000424015775 387466364 /nfs/dbraw/zinc/46/63/64/387466364.db2.gz AHORPLWGCOBZOL-DGCLKSJQSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000516183019 387468259 /nfs/dbraw/zinc/46/82/59/387468259.db2.gz DXEVEOAMMUCWCN-LPEHRKFASA-N 2 0 213.325 0.371 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]CC1(C)COC1 ZINC000352774871 387473847 /nfs/dbraw/zinc/47/38/47/387473847.db2.gz RTFPINRCSPJZQI-LBPRGKRZSA-N 2 0 244.379 0.969 20 0 BCADRP [NH3+]CCCNC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000516166940 387475432 /nfs/dbraw/zinc/47/54/32/387475432.db2.gz CJBQTEWADQZREQ-GFCCVEGCSA-N 2 0 235.331 0.412 20 0 BCADRP CCNC(=O)C[N@H+](CC)CC[C@H]1CC[NH2+]C1 ZINC000396743059 387488804 /nfs/dbraw/zinc/48/88/04/387488804.db2.gz UJIYVQQKLFPUKQ-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP CCOC[C@H](O)C[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000362182206 387582054 /nfs/dbraw/zinc/58/20/54/387582054.db2.gz BZJZNMKJNIJSRW-RWMBFGLXSA-N 2 0 244.379 0.798 20 0 BCADRP CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H](C)[NH3+] ZINC000375852737 387587541 /nfs/dbraw/zinc/58/75/41/387587541.db2.gz VBWBZBCTJAYUKF-SDDRHHMPSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@](C[NH3+])(NCC(=O)NC1CCCC1)C1CC1 ZINC000430556832 387628441 /nfs/dbraw/zinc/62/84/41/387628441.db2.gz ZUXMYSVPJBBZFZ-CYBMUJFWSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000238032394 387591832 /nfs/dbraw/zinc/59/18/32/387591832.db2.gz DYUOKWUQACPJCI-LLVKDONJSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000237857817 387593606 /nfs/dbraw/zinc/59/36/06/387593606.db2.gz XYQHIHFTDKEOQI-GHMZBOCLSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000238057597 387593628 /nfs/dbraw/zinc/59/36/28/387593628.db2.gz LGDWFTJVTATGHL-JTQLQIEISA-N 2 0 225.336 0.455 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000422536217 387594983 /nfs/dbraw/zinc/59/49/83/387594983.db2.gz DUNOHBUFSSMIEP-RYUDHWBXSA-N 2 0 241.379 0.946 20 0 BCADRP O=C(CCn1ccnc1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000375935227 387595205 /nfs/dbraw/zinc/59/52/05/387595205.db2.gz VEORQNLHONWFNW-RYUDHWBXSA-N 2 0 248.330 0.484 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422535785 387595420 /nfs/dbraw/zinc/59/54/20/387595420.db2.gz DEFYFDPBQQIFSB-TUAOUCFPSA-N 2 0 241.379 0.818 20 0 BCADRP O=C(CCn1ccnc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000375935224 387595413 /nfs/dbraw/zinc/59/54/13/387595413.db2.gz VEORQNLHONWFNW-NWDGAFQWSA-N 2 0 248.330 0.484 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@@H]([NH3+])C1CCC1)c1ccccc1 ZINC000422534228 387595713 /nfs/dbraw/zinc/59/57/13/387595713.db2.gz ALPIZHDUCZSSLK-OLZOCXBDSA-N 2 0 247.342 0.930 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422538816 387596829 /nfs/dbraw/zinc/59/68/29/387596829.db2.gz JCIBEFMNZDGYDL-RHYQMDGZSA-N 2 0 241.379 0.946 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422545764 387596923 /nfs/dbraw/zinc/59/69/23/387596923.db2.gz XVIIIANAQISBSX-VLEAKVRGSA-N 2 0 227.352 0.556 20 0 BCADRP Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H](C)C[NH3+])C2 ZINC000375977557 387599220 /nfs/dbraw/zinc/59/92/20/387599220.db2.gz YKHDCBMZAFVGRI-WPRPVWTQSA-N 2 0 236.319 0.217 20 0 BCADRP Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H](C)C[NH3+])C2 ZINC000375977554 387599476 /nfs/dbraw/zinc/59/94/76/387599476.db2.gz YKHDCBMZAFVGRI-PSASIEDQSA-N 2 0 236.319 0.217 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000041679543 387604435 /nfs/dbraw/zinc/60/44/35/387604435.db2.gz LISGLRYVXZIVSX-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]CCCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422631772 387610106 /nfs/dbraw/zinc/61/01/06/387610106.db2.gz FXICPZMPNUTUFC-WOPDTQHZSA-N 2 0 213.369 0.901 20 0 BCADRP C[C@@H]1C[C@H](C)[N@H+](CCOCC[NH3+])C[C@@H]1C[NH3+] ZINC000422636573 387610323 /nfs/dbraw/zinc/61/03/23/387610323.db2.gz NCZGCUWIHLBNOJ-WOPDTQHZSA-N 3 0 229.368 0.267 20 0 BCADRP CCC(CC)[C@H](O)C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422700873 387616246 /nfs/dbraw/zinc/61/62/46/387616246.db2.gz AYBMKJCRZQUJQN-JOYOIKCWSA-N 2 0 214.353 0.981 20 0 BCADRP CCC(CC)[C@@H](O)C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422700872 387616605 /nfs/dbraw/zinc/61/66/05/387616605.db2.gz AYBMKJCRZQUJQN-CABZTGNLSA-N 2 0 214.353 0.981 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000399523583 387552764 /nfs/dbraw/zinc/55/27/64/387552764.db2.gz PPHLRSBWSCJMMK-VHSXEESVSA-N 2 0 215.341 0.284 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H](C)[NH+](C)C)[C@@H](C)[NH3+] ZINC000399554378 387555361 /nfs/dbraw/zinc/55/53/61/387555361.db2.gz ASSUZFTUXRDIOI-MXWKQRLJSA-N 2 0 229.368 0.672 20 0 BCADRP CC[NH+](CC)CCN1CCO[C@H](C[NH+](C)C)C1 ZINC000119639338 387555577 /nfs/dbraw/zinc/55/55/77/387555577.db2.gz AKXWXYDCULZNND-CYBMUJFWSA-N 2 0 243.395 0.591 20 0 BCADRP CCC[C@H](C(=O)N1CC[C@@H]([NH2+]C)C1)[NH+](C)C ZINC000422714031 387627439 /nfs/dbraw/zinc/62/74/39/387627439.db2.gz QLXIZUPYBYSFSP-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000399727210 387567316 /nfs/dbraw/zinc/56/73/16/387567316.db2.gz KSNGBLXLCBQLDS-GHMZBOCLSA-N 2 0 229.368 0.674 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000399727213 387567348 /nfs/dbraw/zinc/56/73/48/387567348.db2.gz KSNGBLXLCBQLDS-WDEREUQCSA-N 2 0 229.368 0.674 20 0 BCADRP CC(C)[C@@H](C(=O)NCCC[NH+](C)C)[C@@H](C)[NH3+] ZINC000399727220 387567416 /nfs/dbraw/zinc/56/74/16/387567416.db2.gz KTAFLHVJOPGAES-GHMZBOCLSA-N 2 0 229.368 0.674 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000038042293 387570587 /nfs/dbraw/zinc/57/05/87/387570587.db2.gz PZZWQFRSXOVIAT-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP O=C([C@H]1CCC[NH2+]C1)N1CCNC[C@H]1C(F)F ZINC000367392265 387576998 /nfs/dbraw/zinc/57/69/98/387576998.db2.gz NWBYYXSFUMHDAA-IUCAKERBSA-N 2 0 247.289 0.052 20 0 BCADRP CC[N@H+](CC(=O)NC[C@H](C)C[NH+](C)C)C1CC1 ZINC000355752085 387577637 /nfs/dbraw/zinc/57/76/37/387577637.db2.gz ZTBAHBONCCSBRF-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000377144339 387694650 /nfs/dbraw/zinc/69/46/50/387694650.db2.gz BFXCYLFZJMQWAI-LLVKDONJSA-N 2 0 231.315 0.131 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000377144816 387694676 /nfs/dbraw/zinc/69/46/76/387694676.db2.gz KOXIPGLLMNZRPC-VWYCJHECSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]1COCCN1CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422720907 387632677 /nfs/dbraw/zinc/63/26/77/387632677.db2.gz UDJWUTTYZBVBLL-AGIUHOORSA-N 2 0 241.379 0.424 20 0 BCADRP C[C@@H](C[NH+]1CCC(C[NH3+])CC1)CS(C)(=O)=O ZINC000430639024 387634804 /nfs/dbraw/zinc/63/48/04/387634804.db2.gz HCFWVYXIOZFIMW-JTQLQIEISA-N 2 0 248.392 0.338 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@]1(F)CC[NH2+]C1 ZINC000377144340 387694892 /nfs/dbraw/zinc/69/48/92/387694892.db2.gz BFXCYLFZJMQWAI-NSHDSACASA-N 2 0 231.315 0.131 20 0 BCADRP CCC[C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000422794696 387694927 /nfs/dbraw/zinc/69/49/27/387694927.db2.gz ZIWJXOAGPAQPHH-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000430698381 387640887 /nfs/dbraw/zinc/64/08/87/387640887.db2.gz VAUFGXGTFJJSKZ-AAEUAGOBSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC000422794539 387694996 /nfs/dbraw/zinc/69/49/96/387694996.db2.gz YXFXMNOCOOCUNJ-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP CC(C)(C[NH3+])C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430705296 387642146 /nfs/dbraw/zinc/64/21/46/387642146.db2.gz KQFIHSFHKLZBSM-JTQLQIEISA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430714300 387642991 /nfs/dbraw/zinc/64/29/91/387642991.db2.gz NFAVMTRHEUWBNL-LLVKDONJSA-N 2 0 241.379 0.880 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000422735591 387644056 /nfs/dbraw/zinc/64/40/56/387644056.db2.gz WGNYFCFVXCDUHW-NXEZZACHSA-N 2 0 215.341 0.332 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430730116 387644789 /nfs/dbraw/zinc/64/47/89/387644789.db2.gz IFTZFTJVSDVIPF-QWRGUYRKSA-N 2 0 241.379 0.736 20 0 BCADRP C[C@H](CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000422738552 387646412 /nfs/dbraw/zinc/64/64/12/387646412.db2.gz JUDKAJANJKNELR-RTXFEEFZSA-N 2 0 241.379 0.293 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCN(C2CC2)C1 ZINC000422746165 387649924 /nfs/dbraw/zinc/64/99/24/387649924.db2.gz WBVXXFJVAAEFJY-AXFHLTTASA-N 2 0 211.353 0.939 20 0 BCADRP [NH3+][C@H](CC1CCCCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000422746672 387650398 /nfs/dbraw/zinc/65/03/98/387650398.db2.gz OCJMIRBYSZSWNY-NWDGAFQWSA-N 2 0 239.363 0.762 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH3+])C[C@H]1C ZINC000430795865 387651068 /nfs/dbraw/zinc/65/10/68/387651068.db2.gz IMXCEHWTVWYABR-OUAUKWLOSA-N 2 0 227.352 0.665 20 0 BCADRP C[C@@H]1C[C@H](N(C)C(=O)C2([NH3+])CC2)CC[N@@H+]1C ZINC000430783607 387652474 /nfs/dbraw/zinc/65/24/74/387652474.db2.gz MZVHILXFVFFRAM-NXEZZACHSA-N 2 0 225.336 0.419 20 0 BCADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@@H](C)N1CCOCC1 ZINC000422747968 387652948 /nfs/dbraw/zinc/65/29/48/387652948.db2.gz ZZPDKEWRXBVXFB-WUHRBBMRSA-N 2 0 243.395 0.811 20 0 BCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000430808723 387654954 /nfs/dbraw/zinc/65/49/54/387654954.db2.gz NNDPBRHUSCHORC-LLVKDONJSA-N 2 0 225.336 0.135 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000362770826 387658006 /nfs/dbraw/zinc/65/80/06/387658006.db2.gz VHGPEADBUHYNEG-GHMZBOCLSA-N 2 0 227.352 0.252 20 0 BCADRP C[C@@H]([NH2+]CCCN1CCCC1=O)[C@H]1CCC[NH2+]1 ZINC000422755829 387658586 /nfs/dbraw/zinc/65/85/86/387658586.db2.gz BPZCWXRMODHKHK-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP CN(C(=O)C(C)(C)C[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430898988 387659639 /nfs/dbraw/zinc/65/96/39/387659639.db2.gz YLBWTAFKHAWYKR-NSHDSACASA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)N1CC[C@@H](N2CC[C@H]([NH3+])[C@H](C)C2)C1=O ZINC000430932884 387662444 /nfs/dbraw/zinc/66/24/44/387662444.db2.gz GRRUMFLVXGIYCF-GRYCIOLGSA-N 2 0 239.363 0.665 20 0 BCADRP COCC[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000305966091 387668153 /nfs/dbraw/zinc/66/81/53/387668153.db2.gz XUJIOXPHUDYDNB-XQQFMLRXSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(C)(C)C[NH3+] ZINC000431019067 387670575 /nfs/dbraw/zinc/67/05/75/387670575.db2.gz KPMGYJUXPFQRJC-GXSJLCMTSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C12CCC[NH+]1CCC2 ZINC000422776501 387672290 /nfs/dbraw/zinc/67/22/90/387672290.db2.gz DTBAODMAFLKLQJ-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP C[C@@H]([NH3+])CCNC(=O)C12CCC[NH+]1CCC2 ZINC000422776502 387672936 /nfs/dbraw/zinc/67/29/36/387672936.db2.gz DTBAODMAFLKLQJ-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP COCCC[N@H+](C)CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422785327 387683118 /nfs/dbraw/zinc/68/31/18/387683118.db2.gz QVEOMKTZDYBQKV-VXGBXAGGSA-N 2 0 229.368 0.424 20 0 BCADRP COCCC[N@H+](C)CCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422786549 387686073 /nfs/dbraw/zinc/68/60/73/387686073.db2.gz SMAFJRYAVKQAPL-QWHCGFSZSA-N 2 0 243.395 0.542 20 0 BCADRP COCCC[N@H+](C)CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422786548 387686913 /nfs/dbraw/zinc/68/69/13/387686913.db2.gz SMAFJRYAVKQAPL-OLZOCXBDSA-N 2 0 243.395 0.542 20 0 BCADRP C[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC000422786605 387688005 /nfs/dbraw/zinc/68/80/05/387688005.db2.gz SUFVXNZRPARBAW-UHFFFAOYSA-N 2 0 222.292 0.097 20 0 BCADRP CN(C(=O)[C@@H]1C[C@@H]1[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000424140589 387690425 /nfs/dbraw/zinc/69/04/25/387690425.db2.gz BJOMWSUAAMECQG-MXWKQRLJSA-N 2 0 223.320 0.029 20 0 BCADRP CCC[C@H](C(=O)N[C@H]1CCC[C@@H]1C[NH3+])[NH+](C)C ZINC000422864479 387745736 /nfs/dbraw/zinc/74/57/36/387745736.db2.gz NEOVXFFAMMNSOR-GRYCIOLGSA-N 2 0 241.379 0.960 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000377756103 387747477 /nfs/dbraw/zinc/74/74/77/387747477.db2.gz OODUDYNOBKRNAZ-IJLUTSLNSA-N 2 0 237.347 0.054 20 0 BCADRP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424143167 387748923 /nfs/dbraw/zinc/74/89/23/387748923.db2.gz ZFSDZKKFLWQRGE-NEPJUHHUSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377807281 387749293 /nfs/dbraw/zinc/74/92/93/387749293.db2.gz PDUXOIZKLJPLKL-ADEWGFFLSA-N 2 0 239.363 0.428 20 0 BCADRP CC1CC[NH+](CC(=O)NC(C)(C)C[NH3+])CC1 ZINC000422799651 387700135 /nfs/dbraw/zinc/70/01/35/387700135.db2.gz XVVADOCDEGOEEA-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000422804705 387701462 /nfs/dbraw/zinc/70/14/62/387701462.db2.gz KXZXPJHMEDRFNC-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]1NCC[NH+]1CCCCC1 ZINC000422801812 387702143 /nfs/dbraw/zinc/70/21/43/387702143.db2.gz AQLFUHMSHFTCML-RYUDHWBXSA-N 2 0 211.353 0.942 20 0 BCADRP COC[C@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000127115998 387707115 /nfs/dbraw/zinc/70/71/15/387707115.db2.gz NYTBWTGFXRODNW-QWHCGFSZSA-N 2 0 244.379 0.800 20 0 BCADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)COC)C1 ZINC000127213742 387709429 /nfs/dbraw/zinc/70/94/29/387709429.db2.gz HGIMMUCQVWYMSN-QWHCGFSZSA-N 2 0 244.379 0.657 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000422814999 387713278 /nfs/dbraw/zinc/71/32/78/387713278.db2.gz WUTCFJWZRLLLOV-QWRGUYRKSA-N 2 0 241.379 0.879 20 0 BCADRP CC[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH3+])[NH+](C)C ZINC000629614016 387713792 /nfs/dbraw/zinc/71/37/92/387713792.db2.gz VIRGNPIUAPLSMK-HRDYMLBCSA-N 2 0 201.314 0.179 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000422814996 387714449 /nfs/dbraw/zinc/71/44/49/387714449.db2.gz WUTCFJWZRLLLOV-GHMZBOCLSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[C@H]([NH3+])C1 ZINC000431645833 387724588 /nfs/dbraw/zinc/72/45/88/387724588.db2.gz ZNONNEOFXVWFCN-DCAQKATOSA-N 2 0 225.336 0.419 20 0 BCADRP CC[C@H](COC)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000127773241 387724904 /nfs/dbraw/zinc/72/49/04/387724904.db2.gz QJGUEQVBHQFDAU-CHWSQXEVSA-N 2 0 243.395 0.637 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000422834975 387729873 /nfs/dbraw/zinc/72/98/73/387729873.db2.gz XVGVYJCRSNZTAO-JTQLQIEISA-N 2 0 246.314 0.920 20 0 BCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424142549 387730292 /nfs/dbraw/zinc/73/02/92/387730292.db2.gz IKKDHPMACPWESC-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP COCC[N@H+](C)CCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422843746 387730855 /nfs/dbraw/zinc/73/08/55/387730855.db2.gz JIOVJFZMOJVXHC-NWDGAFQWSA-N 2 0 229.368 0.424 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000422845935 387735170 /nfs/dbraw/zinc/73/51/70/387735170.db2.gz DFBBIMVPRWVNFD-MXWKQRLJSA-N 2 0 229.368 0.705 20 0 BCADRP CO[C@@H]1C[C@H]([NH2+][C@@H](C)C2C[NH2+]C2)C1(C)C ZINC000422854299 387738693 /nfs/dbraw/zinc/73/86/93/387738693.db2.gz UAPMQDTVCKMHNY-INTQDDNPSA-N 2 0 212.337 0.997 20 0 BCADRP CCC[C@H](C(=O)NC[C@H]([NH3+])C(C)C)[NH+](C)C ZINC000422856568 387740627 /nfs/dbraw/zinc/74/06/27/387740627.db2.gz WYIQCVIBHHYEOR-WDEREUQCSA-N 2 0 229.368 0.816 20 0 BCADRP COCC[N@@H+]1CC[C@@H](N[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422892908 387762911 /nfs/dbraw/zinc/76/29/11/387762911.db2.gz ZSDWLCWJDGTOBS-YNEHKIRRSA-N 2 0 241.379 0.437 20 0 BCADRP COCC[N@@H+]1CC[C@H](N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422890338 387763148 /nfs/dbraw/zinc/76/31/48/387763148.db2.gz RSRNZORJSDVXEV-AVGNSLFASA-N 2 0 241.379 0.295 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000422889524 387763688 /nfs/dbraw/zinc/76/36/88/387763688.db2.gz GJOWPIDKZGHSOM-UHFFFAOYSA-N 2 0 239.363 0.444 20 0 BCADRP COc1cccc(C[C@H](C)[NH2+]C[C@H](C)[NH3+])n1 ZINC000643527390 387765255 /nfs/dbraw/zinc/76/52/55/387765255.db2.gz LZGXUXKMSOIGAD-UWVGGRQHSA-N 2 0 223.320 0.958 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCC[N@@H+]1C ZINC000422908557 387768582 /nfs/dbraw/zinc/76/85/82/387768582.db2.gz YQJDENBXVDVLJQ-UTUOFQBUSA-N 2 0 211.353 0.668 20 0 BCADRP CC[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422911164 387768613 /nfs/dbraw/zinc/76/86/13/387768613.db2.gz KAXJEVDGRUCZHA-JTQLQIEISA-N 2 0 228.336 0.917 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000441599599 387771620 /nfs/dbraw/zinc/77/16/20/387771620.db2.gz OYUDLYLSSGSYLK-PWSUYJOCSA-N 2 0 235.331 0.788 20 0 BCADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000129547253 387772766 /nfs/dbraw/zinc/77/27/66/387772766.db2.gz FVSASCBPFSWPOB-XQQFMLRXSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000441626727 387773210 /nfs/dbraw/zinc/77/32/10/387773210.db2.gz JHBMYABFDCWNIX-CMPLNLGQSA-N 2 0 235.331 0.267 20 0 BCADRP CC(C)C[C@H](CNC(=O)C[NH+](C)C)[NH+](C)C ZINC000442645586 387812412 /nfs/dbraw/zinc/81/24/12/387812412.db2.gz DZRUXQAIAVVROJ-LLVKDONJSA-N 2 0 229.368 0.641 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)NCC1([NH3+])CCCCC1 ZINC000418301425 387812513 /nfs/dbraw/zinc/81/25/13/387812513.db2.gz YPJXMELHMBZGCT-SNVBAGLBSA-N 2 0 242.367 0.542 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000527952687 387783250 /nfs/dbraw/zinc/78/32/50/387783250.db2.gz ISJJIZFMPZGUSE-XQHKEYJVSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CC(=O)N(C)C1 ZINC000422959362 387812493 /nfs/dbraw/zinc/81/24/93/387812493.db2.gz RSXXGXRIODSWRD-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@H](NC[C@@H](O)C[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422980252 387791522 /nfs/dbraw/zinc/79/15/22/387791522.db2.gz OZBUHILMJAJWNB-WOPDTQHZSA-N 2 0 229.368 0.029 20 0 BCADRP O=C(C1C[NH2+]C1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000378644322 387792251 /nfs/dbraw/zinc/79/22/51/387792251.db2.gz XTUYTGOPITYABM-CMPLNLGQSA-N 2 0 237.347 0.196 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424152781 387800608 /nfs/dbraw/zinc/80/06/08/387800608.db2.gz IZQHHBMPGGDQKZ-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH2+][C@H](CO)CC(C)(C)C)C1C[NH2+]C1 ZINC000422992520 387800987 /nfs/dbraw/zinc/80/09/87/387800987.db2.gz CUVBFSVVSJPAQN-ONGXEEELSA-N 2 0 214.353 0.981 20 0 BCADRP CC[C@@H]1CN(C[C@H](C)[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000442654293 387807690 /nfs/dbraw/zinc/80/76/90/387807690.db2.gz AYDFZLNEGSLGPZ-SDDRHHMPSA-N 2 0 229.368 0.111 20 0 BCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424154231 387813549 /nfs/dbraw/zinc/81/35/49/387813549.db2.gz LGWJFRZEQNOSHT-KXNHARMFSA-N 2 0 239.363 0.570 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H]1C ZINC000424144273 387759871 /nfs/dbraw/zinc/75/98/71/387759871.db2.gz KYYKAPCSAGVKNZ-KKOKHZNYSA-N 2 0 239.363 0.665 20 0 BCADRP CC(C)[C@H](C(=O)NCC(C)(C)[NH3+])[C@@H](C)[NH3+] ZINC000422887135 387760482 /nfs/dbraw/zinc/76/04/82/387760482.db2.gz YLTPJLSEGQLNQD-BDAKNGLRSA-N 2 0 215.341 0.459 20 0 BCADRP Cc1nc(C[C@H]2CCCN(C[C@H](C)[NH3+])C2)no1 ZINC000442665760 387819734 /nfs/dbraw/zinc/81/97/34/387819734.db2.gz NUTDYJAYRGZJMY-GXSJLCMTSA-N 2 0 238.335 0.980 20 0 BCADRP C[C@@H](CO)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422974634 387822637 /nfs/dbraw/zinc/82/26/37/387822637.db2.gz RJZUTYJOTLWZQX-VWYCJHECSA-N 2 0 200.326 0.735 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)CC[NH2+]C1CC1 ZINC000564101076 387826436 /nfs/dbraw/zinc/82/64/36/387826436.db2.gz WZPSXNIHHPQODT-LLVKDONJSA-N 2 0 227.352 0.762 20 0 BCADRP C[NH2+]CCNC(=O)N(CC[NH+](C)C)C(C)C ZINC000418323229 387829790 /nfs/dbraw/zinc/82/97/90/387829790.db2.gz FRAOMCWHSRABOF-UHFFFAOYSA-N 2 0 230.356 0.187 20 0 BCADRP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442777713 387832778 /nfs/dbraw/zinc/83/27/78/387832778.db2.gz JQWTVBFTJHGUDT-WOPDTQHZSA-N 2 0 241.379 0.911 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCNc1ccccn1 ZINC000423010296 387834634 /nfs/dbraw/zinc/83/46/34/387834634.db2.gz XKHNECMVCMHBDO-GHMZBOCLSA-N 2 0 220.320 0.963 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCN1CCCC1=O ZINC000442774864 387837224 /nfs/dbraw/zinc/83/72/24/387837224.db2.gz DNIWCFIUNNGXTD-QWRGUYRKSA-N 2 0 225.336 0.278 20 0 BCADRP Cc1ncc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c(=O)[nH]1 ZINC000423026109 387842937 /nfs/dbraw/zinc/84/29/37/387842937.db2.gz ALTCIUBREJFWKF-ONGXEEELSA-N 2 0 236.319 0.708 20 0 BCADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCn1ccnn1 ZINC000423031991 387849059 /nfs/dbraw/zinc/84/90/59/387849059.db2.gz LYYUMAIDUKATLI-RYUDHWBXSA-N 2 0 237.351 0.918 20 0 BCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424168430 387857436 /nfs/dbraw/zinc/85/74/36/387857436.db2.gz FSHPPZPQOWGIMS-OUAUKWLOSA-N 2 0 225.336 0.132 20 0 BCADRP C[NH+](C)C1(CN[C@@H]2CCC[C@H]2[NH3+])CCC1 ZINC000423057671 387865122 /nfs/dbraw/zinc/86/51/22/387865122.db2.gz HVQDPAMVTMEUKK-GHMZBOCLSA-N 2 0 211.353 0.940 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000433116392 387866642 /nfs/dbraw/zinc/86/66/42/387866642.db2.gz KUKVNNGBPKKLSW-ZYHUDNBSSA-N 2 0 229.368 0.707 20 0 BCADRP C[C@@H]1C[C@@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433128655 387867255 /nfs/dbraw/zinc/86/72/55/387867255.db2.gz BIPCQPGICMGBOV-PWSUYJOCSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000433122633 387867349 /nfs/dbraw/zinc/86/73/49/387867349.db2.gz WKNYRRFHJCZOLW-VWYCJHECSA-N 2 0 227.352 0.413 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H](C[NH3+])C(C)C ZINC000433129769 387867851 /nfs/dbraw/zinc/86/78/51/387867851.db2.gz FITFTBDQFNLSAU-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1CCNC[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536230 387867990 /nfs/dbraw/zinc/86/79/90/387867990.db2.gz OVTRGLBLWWYHFQ-IJLUTSLNSA-N 2 0 223.364 0.716 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424172885 387868070 /nfs/dbraw/zinc/86/80/70/387868070.db2.gz LOEDZEMYKYPSBU-UTLUCORTSA-N 2 0 225.336 0.228 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423065175 387868109 /nfs/dbraw/zinc/86/81/09/387868109.db2.gz AXEZJJDORZBODG-STQMWFEESA-N 3 0 243.395 0.814 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000433136279 387868672 /nfs/dbraw/zinc/86/86/72/387868672.db2.gz XGVIPXJUTALDHZ-GMTAPVOTSA-N 2 0 227.352 0.426 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000433144579 387871293 /nfs/dbraw/zinc/87/12/93/387871293.db2.gz NAHSEIIPDTVUOB-OUAUKWLOSA-N 2 0 227.352 0.332 20 0 BCADRP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422964842 387814274 /nfs/dbraw/zinc/81/42/74/387814274.db2.gz JWRDJOIHXLSYDY-GHMZBOCLSA-N 2 0 241.379 0.866 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)C[NH+](C)C ZINC000442655162 387814876 /nfs/dbraw/zinc/81/48/76/387814876.db2.gz UPDWEMBYUNCHSJ-UHFFFAOYSA-N 2 0 229.368 0.786 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000442654367 387815271 /nfs/dbraw/zinc/81/52/71/387815271.db2.gz QUBULAHKXSAMIW-SNVBAGLBSA-N 2 0 213.325 0.101 20 0 BCADRP CC[C@H]([NH2+]CC(C)(C)C(N)=O)[C@@H]1CCC[NH2+]1 ZINC000422966267 387816887 /nfs/dbraw/zinc/81/68/87/387816887.db2.gz NGAAIZKOMQKTOD-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN(C[C@@H](C)[NH3+])C1 ZINC000442665485 387817038 /nfs/dbraw/zinc/81/70/38/387817038.db2.gz MNQSNZJOJRYEBH-VXGBXAGGSA-N 2 0 213.369 0.997 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000309554376 387819248 /nfs/dbraw/zinc/81/92/48/387819248.db2.gz LSUAJISLKZPTEU-WPRPVWTQSA-N 2 0 207.277 0.150 20 0 BCADRP CCOCC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000444645122 387893572 /nfs/dbraw/zinc/89/35/72/387893572.db2.gz XCPWKGNXRJEFDH-QWHCGFSZSA-N 2 0 244.379 0.657 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424182525 387897941 /nfs/dbraw/zinc/89/79/41/387897941.db2.gz UHLBTXGTJKXQRC-MXWKQRLJSA-N 2 0 225.336 0.276 20 0 BCADRP CC[C@H]1CN(CC[NH2+][C@@H](C)CCC[NH3+])CCO1 ZINC000423079739 387876198 /nfs/dbraw/zinc/87/61/98/387876198.db2.gz APIAZEDQMGMGOL-STQMWFEESA-N 2 0 243.395 0.814 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538393 387876195 /nfs/dbraw/zinc/87/61/95/387876195.db2.gz JDQMZCODOILRNF-RHYQMDGZSA-N 2 0 229.343 0.664 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1[NH2+]CC1(C)C)C1CC1 ZINC000645857439 387876566 /nfs/dbraw/zinc/87/65/66/387876566.db2.gz FPWOKRWOPZMHKS-NSHDSACASA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+][C@H]1CCCCC[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538658 387878529 /nfs/dbraw/zinc/87/85/29/387878529.db2.gz QYBPMWUVBVQBAT-FIQHERPVSA-N 2 0 229.343 0.936 20 0 BCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC[C@H]21 ZINC000424174999 387879173 /nfs/dbraw/zinc/87/91/73/387879173.db2.gz OZJQLFCDHUBVBL-WHOHXGKFSA-N 2 0 237.347 0.276 20 0 BCADRP CC[C@@H]1CN(CC[NH2+]C2CC[NH2+]CC2)CCO1 ZINC000423090356 387883598 /nfs/dbraw/zinc/88/35/98/387883598.db2.gz VFXILWZYJLVSDT-CYBMUJFWSA-N 2 0 241.379 0.439 20 0 BCADRP CC[NH2+]CCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236891868 387910421 /nfs/dbraw/zinc/91/04/21/387910421.db2.gz KAPRBBLUMCYELX-YOGCLGLASA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195232631 387911384 /nfs/dbraw/zinc/91/13/84/387911384.db2.gz LSQXFKGRCPBILB-CHWFTXMASA-N 2 0 225.336 0.038 20 0 BCADRP C[C@@H]([NH2+]C[C@@H](CO)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423134729 387912245 /nfs/dbraw/zinc/91/22/45/387912245.db2.gz FCBXHOUYAAVWBX-ADEWGFFLSA-N 2 0 212.337 0.735 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000237985679 387931220 /nfs/dbraw/zinc/93/12/20/387931220.db2.gz VJFIYOBYSMEZAW-RYUDHWBXSA-N 2 0 239.363 0.620 20 0 BCADRP CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423153887 387932529 /nfs/dbraw/zinc/93/25/29/387932529.db2.gz IJUWMWZAJFKSGF-UKKRHICBSA-N 2 0 216.325 0.506 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCCC(=O)N(C)C)CC[N@@H+]1C ZINC000156142932 387922705 /nfs/dbraw/zinc/92/27/05/387922705.db2.gz HDBGXQMGCZRCNC-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000424198598 387926816 /nfs/dbraw/zinc/92/68/16/387926816.db2.gz PQNKWIHDLPIAFO-WUHRBBMRSA-N 2 0 245.326 0.205 20 0 BCADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424198462 387927101 /nfs/dbraw/zinc/92/71/01/387927101.db2.gz PIWVFPQVPJISBA-AGIUHOORSA-N 2 0 247.342 0.712 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC[C@H]1CCCC[N@@H+]1CCO ZINC000423149581 387928052 /nfs/dbraw/zinc/92/80/52/387928052.db2.gz XUPNWBODHGOJFY-YNEHKIRRSA-N 2 0 243.395 0.549 20 0 BCADRP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])C(=O)NC ZINC000423167611 387952517 /nfs/dbraw/zinc/95/25/17/387952517.db2.gz SPVPMYMPEFHELY-GARJFASQSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000423170539 387956014 /nfs/dbraw/zinc/95/60/14/387956014.db2.gz YCTIKTOPZKPHSW-USZNOCQGSA-N 2 0 239.363 0.761 20 0 BCADRP CCN1C[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])CC1=O ZINC000423158416 387937956 /nfs/dbraw/zinc/93/79/56/387937956.db2.gz WRUCLGACZUXLOB-IVZWLZJFSA-N 2 0 213.325 0.323 20 0 BCADRP CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423158304 387938817 /nfs/dbraw/zinc/93/88/17/387938817.db2.gz NXOHJXNYLMOKNG-FVCCEPFGSA-N 2 0 242.363 0.768 20 0 BCADRP COCC[N@H+](C)CCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000156222870 387940808 /nfs/dbraw/zinc/94/08/08/387940808.db2.gz RKWKSVBYEUNOLE-OLZOCXBDSA-N 2 0 243.395 0.637 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CCN1CC=CCC1 ZINC000392233458 387941869 /nfs/dbraw/zinc/94/18/69/387941869.db2.gz CGRHURSTZGYYEG-CYBMUJFWSA-N 2 0 241.379 0.592 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)CCCC[NH3+] ZINC000423166073 387949650 /nfs/dbraw/zinc/94/96/50/387949650.db2.gz CDUCIWPXWUAHIS-OUAUKWLOSA-N 2 0 216.325 0.507 20 0 BCADRP c1cn([C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)nn1 ZINC000424298373 387958524 /nfs/dbraw/zinc/95/85/24/387958524.db2.gz DBRVWOLQPJOLHE-CHWSQXEVSA-N 2 0 249.362 0.915 20 0 BCADRP CC[N@H+](C)CCN[C@H]1CC[NH+](C)C[C@@H]1C ZINC000158784404 387961331 /nfs/dbraw/zinc/96/13/31/387961331.db2.gz FZFFEUOCBCYWMG-RYUDHWBXSA-N 2 0 213.369 0.868 20 0 BCADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)[C@@H]1C[C@H]1C ZINC000423176988 387962412 /nfs/dbraw/zinc/96/24/12/387962412.db2.gz DGPLWRIDQVCBOG-JHJVBQTASA-N 2 0 225.380 0.916 20 0 BCADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)C1CC1 ZINC000423178533 387963556 /nfs/dbraw/zinc/96/35/56/387963556.db2.gz KWPCXCUATBKXOW-NSHDSACASA-N 2 0 211.353 0.670 20 0 BCADRP CC[C@@H](NC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423178458 387964940 /nfs/dbraw/zinc/96/49/40/387964940.db2.gz GEHYLNDTOPHDOV-NEPJUHHUSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H](N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423196667 387981563 /nfs/dbraw/zinc/98/15/63/387981563.db2.gz VVMIDILZHOLHJZ-UTUOFQBUSA-N 2 0 211.353 0.859 20 0 BCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(N)=[NH2+] ZINC000439010858 387973983 /nfs/dbraw/zinc/97/39/83/387973983.db2.gz OXCPHJQEJAXDRE-JTQLQIEISA-N 2 0 212.341 0.980 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000424333138 387976744 /nfs/dbraw/zinc/97/67/44/387976744.db2.gz LMNTWVCHDOCFIY-SNVBAGLBSA-N 2 0 209.297 0.264 20 0 BCADRP COc1ccc2c(c1)C[C@H]([NH2+]CCC[NH3+])CO2 ZINC000423192964 387977928 /nfs/dbraw/zinc/97/79/28/387977928.db2.gz QJWHDTUXZPDQAY-NSHDSACASA-N 2 0 236.315 0.937 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000423192620 387978409 /nfs/dbraw/zinc/97/84/09/387978409.db2.gz PVKGBIJJVHFCRU-WOPDTQHZSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(O)c1 ZINC000423201394 387988514 /nfs/dbraw/zinc/98/85/14/387988514.db2.gz INXXLDOVYWGBGF-LBPRGKRZSA-N 2 0 249.358 0.948 20 0 BCADRP C[C@H](NCCN1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000423211470 387994858 /nfs/dbraw/zinc/99/48/58/387994858.db2.gz YHLWGOWYVBIPKV-QWHCGFSZSA-N 3 0 240.395 0.012 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000423196996 387982439 /nfs/dbraw/zinc/98/24/39/387982439.db2.gz XENIDKKPRFSLPM-MDZLAQPJSA-N 2 0 223.364 0.811 20 0 BCADRP C[NH2+]CCc1nc(C2([NH3+])CCCCC2)no1 ZINC000424345633 387984297 /nfs/dbraw/zinc/98/42/97/387984297.db2.gz MYRXAKOEQOPIKH-UHFFFAOYSA-N 2 0 224.308 0.950 20 0 BCADRP C[NH2+]CCCN[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423200330 387986213 /nfs/dbraw/zinc/98/62/13/387986213.db2.gz LVEBNANFCIWRAK-ZYHUDNBSSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423200097 387986522 /nfs/dbraw/zinc/98/65/22/387986522.db2.gz LQWICXTUOAFVFP-JTQLQIEISA-N 2 0 227.352 0.892 20 0 BCADRP C[NH2+]CCN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423222206 388001416 /nfs/dbraw/zinc/00/14/16/388001416.db2.gz AFMOLAURXMYNRC-AXFHLTTASA-N 2 0 212.337 0.999 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000309660629 388002501 /nfs/dbraw/zinc/00/25/01/388002501.db2.gz ATUSHUWRFKWVQX-UWVGGRQHSA-N 2 0 213.325 0.039 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000309660630 388003053 /nfs/dbraw/zinc/00/30/53/388003053.db2.gz ATUSHUWRFKWVQX-VHSXEESVSA-N 2 0 213.325 0.039 20 0 BCADRP C[C@H]1C[N@H+](CCC(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000086887009 135101054 /nfs/dbraw/zinc/10/10/54/135101054.db2.gz GEKSOVGSMWNEFB-UWVGGRQHSA-N 2 0 213.325 0.134 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000246258843 388024255 /nfs/dbraw/zinc/02/42/55/388024255.db2.gz KUMQAUPQSMGDDG-JBLDHEPKSA-N 2 0 243.326 0.322 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424460588 388011936 /nfs/dbraw/zinc/01/19/36/388011936.db2.gz BLPZYCLIPDTWCO-GMTAPVOTSA-N 2 0 242.367 0.683 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@@H]1CCC[NH2+]1 ZINC000423229377 388015154 /nfs/dbraw/zinc/01/51/54/388015154.db2.gz BASYYRQXCQEJNA-NTZNESFSSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+]C1 ZINC000446363884 388016752 /nfs/dbraw/zinc/01/67/52/388016752.db2.gz QRVWWBVCEYQBPX-SDDRHHMPSA-N 2 0 237.347 0.291 20 0 BCADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000423237107 388020062 /nfs/dbraw/zinc/02/00/62/388020062.db2.gz SWONWQDERKCPLG-QWRGUYRKSA-N 2 0 229.368 0.960 20 0 BCADRP C[NH2+]CCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423237679 388021052 /nfs/dbraw/zinc/02/10/52/388021052.db2.gz DMGVKGPUSQACKD-WCQYABFASA-N 2 0 221.348 0.754 20 0 BCADRP CCN1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000423251377 388033442 /nfs/dbraw/zinc/03/34/42/388033442.db2.gz RXUDNNPWQSJFCE-XQQFMLRXSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254773 388037177 /nfs/dbraw/zinc/03/71/77/388037177.db2.gz ZJBAUUPREIVOLS-WOPDTQHZSA-N 2 0 211.353 0.526 20 0 BCADRP C[C@@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])[NH+](C)C ZINC000424482429 388040436 /nfs/dbraw/zinc/04/04/36/388040436.db2.gz UHXATZCLZXXWMZ-HBNTYKKESA-N 2 0 242.367 0.506 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCC1([NH3+])CCC1 ZINC000424482082 388040923 /nfs/dbraw/zinc/04/09/23/388040923.db2.gz SOZOQNSOUGQGNO-NXEZZACHSA-N 2 0 240.351 0.437 20 0 BCADRP CC[N@H+]1C[C@H](NC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000423244461 388027764 /nfs/dbraw/zinc/02/77/64/388027764.db2.gz XNZPYUYKRNKLMG-TUAOUCFPSA-N 2 0 211.353 0.668 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000423274879 388055883 /nfs/dbraw/zinc/05/58/83/388055883.db2.gz MKJJYEZGBAYFBX-AXFHLTTASA-N 2 0 200.326 0.999 20 0 BCADRP CC[N@H+]1C[C@H](NC[C@@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000423277348 388058228 /nfs/dbraw/zinc/05/82/28/388058228.db2.gz PXLXMLBCRWYYSP-SRVKXCTJSA-N 2 0 213.369 0.772 20 0 BCADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1([NH3+])CC1 ZINC000083834497 388063223 /nfs/dbraw/zinc/06/32/23/388063223.db2.gz JDKZTNQUIZXWFI-JTQLQIEISA-N 2 0 227.352 0.570 20 0 BCADRP CC[N@H+]1C[C@H](NC[C@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000423285272 388068278 /nfs/dbraw/zinc/06/82/78/388068278.db2.gz YZPUEHKUKQQGMF-SRVKXCTJSA-N 2 0 213.369 0.900 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H](C[NH3+])C1CC1 ZINC000423285486 388069987 /nfs/dbraw/zinc/06/99/87/388069987.db2.gz YFXVYQBXCNSFPF-WQAKAFBOSA-N 2 0 223.364 0.796 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000447434872 388072047 /nfs/dbraw/zinc/07/20/47/388072047.db2.gz KALCOSHIPFDKOY-ZWNOBZJWSA-N 2 0 235.331 0.572 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)C[C@@H](C[NH3+])OC ZINC000447442063 388072588 /nfs/dbraw/zinc/07/25/88/388072588.db2.gz QPODDYHWRQXFDR-NSHDSACASA-N 2 0 245.367 0.198 20 0 BCADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423289781 388075100 /nfs/dbraw/zinc/07/51/00/388075100.db2.gz YFBVYGNVPCIYTN-SNVBAGLBSA-N 2 0 229.368 0.960 20 0 BCADRP CCCC[C@H](C[NH3+])N[C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423298290 388079503 /nfs/dbraw/zinc/07/95/03/388079503.db2.gz NYGOWRZQEXUYJY-XQQFMLRXSA-N 2 0 243.395 0.861 20 0 BCADRP CCCC[C@H](C[NH3+])N[C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423298289 388080087 /nfs/dbraw/zinc/08/00/87/388080087.db2.gz NYGOWRZQEXUYJY-UPJWGTAASA-N 2 0 243.395 0.861 20 0 BCADRP C[C@H](CC(=O)N(C)C)[NH2+]CCOCC[NH+](C)C ZINC000447597120 388081997 /nfs/dbraw/zinc/08/19/97/388081997.db2.gz DPRJBRZZJZCWJD-LLVKDONJSA-N 2 0 245.367 0.021 20 0 BCADRP C[C@@H](CC(=O)N(C)C)[NH2+]CCOCC[NH+](C)C ZINC000447597121 388082068 /nfs/dbraw/zinc/08/20/68/388082068.db2.gz DPRJBRZZJZCWJD-NSHDSACASA-N 2 0 245.367 0.021 20 0 BCADRP C[NH2+]C[C@H](C)CN[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423271185 388048697 /nfs/dbraw/zinc/04/86/97/388048697.db2.gz IRJGQDYYSFBWSX-LOWVWBTDSA-N 2 0 225.380 0.914 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)[NH2+]C1CC1 ZINC000449379700 388187612 /nfs/dbraw/zinc/18/76/12/388187612.db2.gz JQKDMVNFDQEOJV-CMPLNLGQSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC1CCC([NH3+])CC1 ZINC000646198737 388162977 /nfs/dbraw/zinc/16/29/77/388162977.db2.gz IWEFINKWURQRQM-SAAXCQNUSA-N 2 0 242.367 0.681 20 0 BCADRP [NH3+]C/C=C\CNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000646206295 388164218 /nfs/dbraw/zinc/16/42/18/388164218.db2.gz OPKUOMBETDNOFG-UPHRSURJSA-N 2 0 248.330 0.459 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000646216841 388167297 /nfs/dbraw/zinc/16/72/97/388167297.db2.gz ZZBHNDWCPZHHJY-AEJSXWLSSA-N 2 0 228.340 0.102 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC000449315606 388171639 /nfs/dbraw/zinc/17/16/39/388171639.db2.gz JGIYVBDSWAYOQC-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC[NH+]1CCCC1 ZINC000449312392 388171793 /nfs/dbraw/zinc/17/17/93/388171793.db2.gz QMESNZMBJALICH-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000449327774 388173312 /nfs/dbraw/zinc/17/33/12/388173312.db2.gz GCTOWVQAMPSATN-YUSALJHKSA-N 2 0 239.363 0.298 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000449328426 388173385 /nfs/dbraw/zinc/17/33/85/388173385.db2.gz JHYQNOYDIRNEAD-BXKDBHETSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000646297880 388178172 /nfs/dbraw/zinc/17/81/72/388178172.db2.gz WMIRVVQPLDWRBK-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH3+] ZINC000449361789 388182675 /nfs/dbraw/zinc/18/26/75/388182675.db2.gz YPEQJWRNAFMCPG-CABZTGNLSA-N 2 0 235.331 0.706 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000449368029 388184217 /nfs/dbraw/zinc/18/42/17/388184217.db2.gz BMQSLQBAUURSJF-GMTAPVOTSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)[N@H+](C)C1CC1 ZINC000645906572 388123578 /nfs/dbraw/zinc/12/35/78/388123578.db2.gz SZUFQVJYMMEFJI-GXSJLCMTSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C[NH2+]C1CC1 ZINC000646012789 388124031 /nfs/dbraw/zinc/12/40/31/388124031.db2.gz YLLGGHFJNOYBDO-LLVKDONJSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000454635036 388126247 /nfs/dbraw/zinc/12/62/47/388126247.db2.gz UHSLDVYLMRTNOY-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000646051003 388132413 /nfs/dbraw/zinc/13/24/13/388132413.db2.gz XDOCAKWUVSHKKG-LLVKDONJSA-N 2 0 241.379 0.880 20 0 BCADRP [NH3+]CCCNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449065481 388138149 /nfs/dbraw/zinc/13/81/49/388138149.db2.gz ZKRRFZMEVNLAEG-AWEZNQCLSA-N 2 0 247.342 0.383 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000449064202 388138495 /nfs/dbraw/zinc/13/84/95/388138495.db2.gz SZBGHYBTKFPNSM-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000449085862 388140695 /nfs/dbraw/zinc/14/06/95/388140695.db2.gz PJVNWEXHEGLRFD-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000449085859 388140769 /nfs/dbraw/zinc/14/07/69/388140769.db2.gz PJVNWEXHEGLRFD-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000449118040 388141506 /nfs/dbraw/zinc/14/15/06/388141506.db2.gz WHMNNSPKPFWDSA-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000449100616 388142282 /nfs/dbraw/zinc/14/22/82/388142282.db2.gz CIYQOQNUOOYUPG-NXEZZACHSA-N 2 0 213.325 0.243 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000449102707 388142809 /nfs/dbraw/zinc/14/28/09/388142809.db2.gz LAAWWCGFXWRVOM-QWRGUYRKSA-N 2 0 241.379 0.879 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000449105356 388142929 /nfs/dbraw/zinc/14/29/29/388142929.db2.gz YOFNABFNORNZLR-GRYCIOLGSA-N 2 0 239.363 0.762 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000449102786 388143245 /nfs/dbraw/zinc/14/32/45/388143245.db2.gz LPYAFIAYHLDFQY-MNOVXSKESA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449117285 388143413 /nfs/dbraw/zinc/14/34/13/388143413.db2.gz OBFQIFVUMWWMCL-OUAUKWLOSA-N 2 0 227.352 0.332 20 0 BCADRP COC(=O)COC[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000449106815 388143672 /nfs/dbraw/zinc/14/36/72/388143672.db2.gz JZWXDYDGGDPWSQ-QWRGUYRKSA-N 2 0 246.351 0.494 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449115406 388143738 /nfs/dbraw/zinc/14/37/38/388143738.db2.gz HMZQLHBUCXHWLV-OUAUKWLOSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@@H](O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106387 388144197 /nfs/dbraw/zinc/14/41/97/388144197.db2.gz WRKZOVBJJZOUJI-LLVKDONJSA-N 2 0 228.336 0.164 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000449116975 388144393 /nfs/dbraw/zinc/14/43/93/388144393.db2.gz SCYCOMBUUURYTG-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000449115435 388144419 /nfs/dbraw/zinc/14/44/19/388144419.db2.gz LKNFASLVODQBDP-VIFPVBQESA-N 2 0 227.352 0.761 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000449118411 388144442 /nfs/dbraw/zinc/14/44/42/388144442.db2.gz SKBUDFGRVXMFJW-WDEREUQCSA-N 2 0 229.368 0.864 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC000449115889 388144516 /nfs/dbraw/zinc/14/45/16/388144516.db2.gz NMQTXXKOVSISCG-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000449115281 388144552 /nfs/dbraw/zinc/14/45/52/388144552.db2.gz LFDRENIBGNSRDC-CABZTGNLSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449115317 388144601 /nfs/dbraw/zinc/14/46/01/388144601.db2.gz LJAMGFALHVULTR-SDDRHHMPSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000449112105 388144737 /nfs/dbraw/zinc/14/47/37/388144737.db2.gz BJKNVZULKXBDET-UFBFGSQYSA-N 2 0 225.336 0.371 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC[N@H+](CC)C1CC1 ZINC000449115271 388144749 /nfs/dbraw/zinc/14/47/49/388144749.db2.gz LBZAGSWCFVZMNP-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000449117229 388144873 /nfs/dbraw/zinc/14/48/73/388144873.db2.gz TVZHGWNPUMZVSC-MNOVXSKESA-N 2 0 243.395 0.982 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]([NH3+])c1ccccc1C ZINC000449116498 388144932 /nfs/dbraw/zinc/14/49/32/388144932.db2.gz PVXREZDIQWTMFO-GXFFZTMASA-N 2 0 249.358 0.967 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000449123962 388145072 /nfs/dbraw/zinc/14/50/72/388145072.db2.gz ORBZILNQLOPXII-UMNHJUIQSA-N 2 0 239.363 0.761 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449121676 388145218 /nfs/dbraw/zinc/14/52/18/388145218.db2.gz INBAFZLUOREMDE-IJLUTSLNSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449120974 388145256 /nfs/dbraw/zinc/14/52/56/388145256.db2.gz GGVJLNZVUITRAU-PSASIEDQSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000449123960 388145624 /nfs/dbraw/zinc/14/56/24/388145624.db2.gz ORBZILNQLOPXII-JBLDHEPKSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000449117476 388145727 /nfs/dbraw/zinc/14/57/27/388145727.db2.gz UQXAMNOGCIPKKW-GWOFURMSSA-N 2 0 225.336 0.051 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000449127598 388146105 /nfs/dbraw/zinc/14/61/05/388146105.db2.gz WQSGEWLVZKMHAE-QJPTWQEYSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000449127455 388146454 /nfs/dbraw/zinc/14/64/54/388146454.db2.gz WSGZGINVBDCCEK-MXWKQRLJSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000195232498 388149727 /nfs/dbraw/zinc/14/97/27/388149727.db2.gz WXMCMVZIPZGZTP-BXUZGUMPSA-N 2 0 249.358 0.832 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC1([NH3+])CCC1 ZINC000449176353 388153427 /nfs/dbraw/zinc/15/34/27/388153427.db2.gz MRBHETJETMTIMU-SECBINFHSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000449179715 388154213 /nfs/dbraw/zinc/15/42/13/388154213.db2.gz WOGZAPKQANRIEJ-BBBLOLIVSA-N 2 0 225.336 0.336 20 0 BCADRP C[C@H](O)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000166161390 388254395 /nfs/dbraw/zinc/25/43/95/388254395.db2.gz UEOLLFJSHKLSEK-CMPLNLGQSA-N 2 0 212.337 0.689 20 0 BCADRP C[NH+](C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000167967541 388256182 /nfs/dbraw/zinc/25/61/82/388256182.db2.gz PFAJQRXQAHPLSZ-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCC(C)(C)CO ZINC000449409257 388189508 /nfs/dbraw/zinc/18/95/08/388189508.db2.gz SFDHBEUQVOYUFE-QWRGUYRKSA-N 2 0 214.353 0.935 20 0 BCADRP O=C([C@H]1CC[NH2+]C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250803852 388189666 /nfs/dbraw/zinc/18/96/66/388189666.db2.gz CABVEDSRXGRLAV-RYUDHWBXSA-N 2 0 237.347 0.293 20 0 BCADRP CCN1C[C@H]([NH2+]CC[C@](C)(O)COC)[C@@H](C)C1 ZINC000449386335 388190405 /nfs/dbraw/zinc/19/04/05/388190405.db2.gz TWAYBHPDYMGCAB-AVGNSLFASA-N 2 0 244.379 0.704 20 0 BCADRP CCOC[C@@H](C)[NH2+]C[C@H]1CCCN1CCCO ZINC000449387893 388190741 /nfs/dbraw/zinc/19/07/41/388190741.db2.gz NKDBSGFAYSBFLU-CHWSQXEVSA-N 2 0 244.379 0.848 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000646318028 388216645 /nfs/dbraw/zinc/21/66/45/388216645.db2.gz BTKOCWOKEKCPOW-LBPRGKRZSA-N 2 0 225.336 0.326 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449498708 388218803 /nfs/dbraw/zinc/21/88/03/388218803.db2.gz KVJUEHMLHQWKAD-RKDXNWHRSA-N 2 0 213.325 0.241 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000489552893 388220796 /nfs/dbraw/zinc/22/07/96/388220796.db2.gz NIVCZBSGJNNNIR-VXGBXAGGSA-N 2 0 235.331 0.786 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000449543752 388228284 /nfs/dbraw/zinc/22/82/84/388228284.db2.gz OVXAERJPKZYZQW-DDHJBXDOSA-N 2 0 241.379 0.877 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000449546144 388229354 /nfs/dbraw/zinc/22/93/54/388229354.db2.gz UVWCZBZCNNUXKK-MWGHHZFTSA-N 2 0 239.363 0.630 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449582803 388238093 /nfs/dbraw/zinc/23/80/93/388238093.db2.gz ARMDPJZCVRIYIO-KDXUFGMBSA-N 2 0 201.314 0.212 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000449597441 388239440 /nfs/dbraw/zinc/23/94/40/388239440.db2.gz FGIIDGKYGGINCU-HTQZYQBOSA-N 2 0 201.314 0.213 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449598154 388239449 /nfs/dbraw/zinc/23/94/49/388239449.db2.gz AZCIIMCDOPGAAC-IUCAKERBSA-N 2 0 201.314 0.179 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]([NH3+])CC ZINC000449605363 388240011 /nfs/dbraw/zinc/24/00/11/388240011.db2.gz ZEOJTKWURORHQU-SCZZXKLOSA-N 2 0 201.314 0.357 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000449604248 388240930 /nfs/dbraw/zinc/24/09/30/388240930.db2.gz WVUVBBWASGEEML-YFKTTZPYSA-N 2 0 239.363 0.761 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000449608642 388241083 /nfs/dbraw/zinc/24/10/83/388241083.db2.gz JCDHAHBRTMKUPZ-ONGXEEELSA-N 2 0 213.325 0.372 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])CC ZINC000449608494 388241863 /nfs/dbraw/zinc/24/18/63/388241863.db2.gz IBYGKBPGVGWQJF-RKDXNWHRSA-N 2 0 201.314 0.357 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)F ZINC000449610841 388242784 /nfs/dbraw/zinc/24/27/84/388242784.db2.gz SCBWNVKPLYNNNN-JGVFFNPUSA-N 2 0 237.294 0.459 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H](CC)[NH+](CC)CC ZINC000449611412 388243514 /nfs/dbraw/zinc/24/35/14/388243514.db2.gz VOOXDTBRAJUNJK-QWRGUYRKSA-N 2 0 229.368 0.960 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449621556 388244286 /nfs/dbraw/zinc/24/42/86/388244286.db2.gz HUCCGKCJVLVWHF-QMMMGPOBSA-N 2 0 237.294 0.427 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C)C1CC([NH3+])C1 ZINC000449634027 388247243 /nfs/dbraw/zinc/24/72/43/388247243.db2.gz QLCDCVNKRBWRAF-IDKOKCKLSA-N 2 0 213.325 0.323 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449635623 388247263 /nfs/dbraw/zinc/24/72/63/388247263.db2.gz UXAWOVDHBBJAMY-GMTAPVOTSA-N 2 0 241.379 0.994 20 0 BCADRP C[NH+](C)C/C=C\C(=O)NCC[N@H+](C)C1CC1 ZINC000491687869 388310813 /nfs/dbraw/zinc/31/08/13/388310813.db2.gz YDWRCUQPQINQEW-PLNGDYQASA-N 2 0 225.336 0.315 20 0 BCADRP C[NH+](C)C/C=C\C(=O)NC1CC[NH+](C)CC1 ZINC000492046702 388332846 /nfs/dbraw/zinc/33/28/46/388332846.db2.gz XMOOQBVDKJRISU-PLNGDYQASA-N 2 0 225.336 0.315 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)/C=C\C[NH+](C)C ZINC000491841398 388324282 /nfs/dbraw/zinc/32/42/82/388324282.db2.gz CGUIQVGZKPIJPS-SREVYHEPSA-N 2 0 227.352 0.561 20 0 BCADRP C[NH+](C)C/C=C\C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000491861917 388324962 /nfs/dbraw/zinc/32/49/62/388324962.db2.gz BFBHAHUJERGRDS-JPVGGKMYSA-N 2 0 225.336 0.315 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336094 388261851 /nfs/dbraw/zinc/26/18/51/388261851.db2.gz IANJUNKCDHQPKC-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646373754 388347099 /nfs/dbraw/zinc/34/70/99/388347099.db2.gz ZUQGNOOTLZFFIB-SDDRHHMPSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[C@@H](CO)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086404891 388349310 /nfs/dbraw/zinc/34/93/10/388349310.db2.gz OUWOZHQYHNTFTC-GARJFASQSA-N 2 0 200.326 0.863 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000646392206 388349576 /nfs/dbraw/zinc/34/95/76/388349576.db2.gz WAOUYHIIBWJWEV-SECBINFHSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000646394514 388350061 /nfs/dbraw/zinc/35/00/61/388350061.db2.gz YFQFOGHWMDERIS-SECBINFHSA-N 2 0 227.352 0.441 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000646396598 388350361 /nfs/dbraw/zinc/35/03/61/388350361.db2.gz PKDXNEVICZBROH-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)[NH+]1CCCC1 ZINC000646408514 388352154 /nfs/dbraw/zinc/35/21/54/388352154.db2.gz VYGQAFPKEGBWRL-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000646417777 388354136 /nfs/dbraw/zinc/35/41/36/388354136.db2.gz DSWVHMXNHDZWEW-MNOVXSKESA-N 2 0 239.363 0.442 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000646417779 388354376 /nfs/dbraw/zinc/35/43/76/388354376.db2.gz DSWVHMXNHDZWEW-WDEREUQCSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H](CNC(=O)CC1(C[NH3+])CC1)[NH+](C)C ZINC000646427220 388357392 /nfs/dbraw/zinc/35/73/92/388357392.db2.gz UEKHYPBNGQWOLF-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[NH+]3CCC2CC3)CCC1 ZINC000646449963 388359659 /nfs/dbraw/zinc/35/96/59/388359659.db2.gz FRSWIVWIUFVOGV-UHFFFAOYSA-N 2 0 237.347 0.565 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000309547996 388367208 /nfs/dbraw/zinc/36/72/08/388367208.db2.gz CNEMKGABMCXDNI-LBPRGKRZSA-N 2 0 211.353 0.527 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC(C)(C)C[NH3+] ZINC000572759355 388373382 /nfs/dbraw/zinc/37/33/82/388373382.db2.gz ATJUVDQIOQNZIM-YUMQZZPRSA-N 2 0 216.329 0.149 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646523232 388375375 /nfs/dbraw/zinc/37/53/75/388375375.db2.gz SLTRHMNBSIKPKE-NSHDSACASA-N 2 0 239.363 0.537 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000646533886 388377354 /nfs/dbraw/zinc/37/73/54/388377354.db2.gz NRFUPPHSMYLLOS-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000354292800 388378206 /nfs/dbraw/zinc/37/82/06/388378206.db2.gz XOFNPPQJVVMCLJ-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000519763043 256658844 /nfs/dbraw/zinc/65/88/44/256658844.db2.gz JNNCVUKFCDMXDD-BDAKNGLRSA-N 2 0 213.325 0.099 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]([NH3+])C(C)(C)C ZINC000236800124 388383768 /nfs/dbraw/zinc/38/37/68/388383768.db2.gz HPRKIDOKKQPMEH-VIFPVBQESA-N 2 0 215.341 0.476 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000646568578 388384260 /nfs/dbraw/zinc/38/42/60/388384260.db2.gz TZEKIQWQPFLUHS-KOLCDFICSA-N 2 0 225.336 0.324 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000236874003 388384657 /nfs/dbraw/zinc/38/46/57/388384657.db2.gz XTIKQTXTWVDNAV-LLVKDONJSA-N 2 0 241.379 0.772 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)[C@H](C)C[NH3+] ZINC000236837253 388384973 /nfs/dbraw/zinc/38/49/73/388384973.db2.gz PUYAQRRVSNPHGQ-SECBINFHSA-N 2 0 201.314 0.134 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000519821678 256660893 /nfs/dbraw/zinc/66/08/93/256660893.db2.gz DGALUUFNEAUFIQ-MFKMUULPSA-N 2 0 239.363 0.620 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000236990827 388387586 /nfs/dbraw/zinc/38/75/86/388387586.db2.gz XXUUOBNCJCDJNW-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000237058858 388388934 /nfs/dbraw/zinc/38/89/34/388388934.db2.gz NVQWAXHBTIZBRU-NSHDSACASA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000237130444 388390183 /nfs/dbraw/zinc/39/01/83/388390183.db2.gz GYVOUPHTWVUCOQ-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP COCC[NH2+]CC(=O)NCC1([NH3+])CCCCC1 ZINC000237176097 388390634 /nfs/dbraw/zinc/39/06/34/388390634.db2.gz KJYSJVSTBAMQHN-UHFFFAOYSA-N 2 0 243.351 0.000 20 0 BCADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)C)CC[N@@H+]1C ZINC000648806900 388391688 /nfs/dbraw/zinc/39/16/88/388391688.db2.gz CNYAUHPJPRVRSQ-GHMZBOCLSA-N 2 0 227.352 0.347 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000646594463 388391791 /nfs/dbraw/zinc/39/17/91/388391791.db2.gz JWEFAZPZMAACBI-WDEREUQCSA-N 2 0 225.336 0.291 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000237303738 388393159 /nfs/dbraw/zinc/39/31/59/388393159.db2.gz QCIIFGGHPCJRPU-PWSUYJOCSA-N 2 0 235.331 0.658 20 0 BCADRP COc1ccccc1[C@H]([NH3+])CNC(=O)CC[NH3+] ZINC000646601049 388393221 /nfs/dbraw/zinc/39/32/21/388393221.db2.gz SAJWCKUXZYFZTO-SNVBAGLBSA-N 2 0 237.303 0.160 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000646611737 388394772 /nfs/dbraw/zinc/39/47/72/388394772.db2.gz VMCBPCNKKOCGKC-WDEREUQCSA-N 2 0 225.336 0.387 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000646625171 388397502 /nfs/dbraw/zinc/39/75/02/388397502.db2.gz XECLARDQYGKPNK-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C[C@]1(C(=O)N[C@H](C[NH3+])C2CC2)CCC[NH2+]C1 ZINC000237769495 388398379 /nfs/dbraw/zinc/39/83/79/388398379.db2.gz JGTHNWNPADBSIV-PWSUYJOCSA-N 2 0 225.336 0.230 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000646646969 388401562 /nfs/dbraw/zinc/40/15/62/388401562.db2.gz ASQPWVSFBDRRCZ-WOPDTQHZSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]C1(C(=O)NC[C@@H]2CCCC[NH2+]2)CCC1 ZINC000646650549 388402954 /nfs/dbraw/zinc/40/29/54/388402954.db2.gz BSCOBAOEESLXOT-VIFPVBQESA-N 2 0 211.309 0.126 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000393747168 388440214 /nfs/dbraw/zinc/44/02/14/388440214.db2.gz NQAIQJLIXXSUCK-BBBLOLIVSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000646730866 388441273 /nfs/dbraw/zinc/44/12/73/388441273.db2.gz GOJBNMSEYZUHFH-GHMZBOCLSA-N 2 0 239.363 0.633 20 0 BCADRP C[N@H+](CCC[NH3+])C[C@@H]1CCCC[C@@H]1O ZINC000336904831 388442435 /nfs/dbraw/zinc/44/24/35/388442435.db2.gz WLJOBFGDMUATQM-QWRGUYRKSA-N 2 0 200.326 0.818 20 0 BCADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000394058191 388450268 /nfs/dbraw/zinc/45/02/68/388450268.db2.gz VLDJYCVHYJGMTE-SDDRHHMPSA-N 2 0 214.353 0.968 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CC=CCC2)C1 ZINC000526026300 388454718 /nfs/dbraw/zinc/45/47/18/388454718.db2.gz QGGBCJHWGBVGMV-GFCCVEGCSA-N 2 0 237.347 0.316 20 0 BCADRP C[NH+](C)CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134463215 388476520 /nfs/dbraw/zinc/47/65/20/388476520.db2.gz RMIISCDPHVVXGN-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC1CCC([NH3+])CC1 ZINC000646664729 388407273 /nfs/dbraw/zinc/40/72/73/388407273.db2.gz VNBGLNCZOMRPIW-KPPDAEKUSA-N 2 0 227.352 0.761 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000646672792 388411560 /nfs/dbraw/zinc/41/15/60/388411560.db2.gz ONBSIXMGTUPGRV-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000646671992 388411792 /nfs/dbraw/zinc/41/17/92/388411792.db2.gz PEUFUYWWOWNRAP-LOWVWBTDSA-N 2 0 239.363 0.701 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000646672083 388411814 /nfs/dbraw/zinc/41/18/14/388411814.db2.gz XMNMSHSABMSTLB-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000646688138 388416854 /nfs/dbraw/zinc/41/68/54/388416854.db2.gz CTNCHOREINQPHA-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000646718178 388430228 /nfs/dbraw/zinc/43/02/28/388430228.db2.gz HFJZDGBFBVSIBM-NXEZZACHSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000646718179 388430665 /nfs/dbraw/zinc/43/06/65/388430665.db2.gz HFJZDGBFBVSIBM-UWVGGRQHSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000646718181 388430677 /nfs/dbraw/zinc/43/06/77/388430677.db2.gz HFJZDGBFBVSIBM-ZJUUUORDSA-N 2 0 227.352 0.428 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000573244966 388435067 /nfs/dbraw/zinc/43/50/67/388435067.db2.gz ARYGVWRYDLLVTK-IEBDPFPHSA-N 2 0 225.336 0.323 20 0 BCADRP C[NH2+]CCNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000573245328 388435154 /nfs/dbraw/zinc/43/51/54/388435154.db2.gz YFHBZMIIUQRLGS-UHFFFAOYSA-N 2 0 236.319 0.164 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C[NH2+]CC1CC1 ZINC000517139621 388539159 /nfs/dbraw/zinc/53/91/59/388539159.db2.gz LFZZRBMTSOZEKZ-KOLCDFICSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000517168144 388540640 /nfs/dbraw/zinc/54/06/40/388540640.db2.gz ONVDCYQYBMJPMH-RCWTZXSCSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H](NC(=O)C1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000517234599 388543466 /nfs/dbraw/zinc/54/34/66/388543466.db2.gz MFMWPOSKZPRQFJ-PWSUYJOCSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000517234328 388543532 /nfs/dbraw/zinc/54/35/32/388543532.db2.gz AKJAYUXXRGIPOY-TUAOUCFPSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@]1(C(=O)NC[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000517230374 388544012 /nfs/dbraw/zinc/54/40/12/388544012.db2.gz NCGPRSACRQKXIP-CMPLNLGQSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1CCC(CC[NH3+])CC1 ZINC000517240699 388544413 /nfs/dbraw/zinc/54/44/13/388544413.db2.gz KVIAWSSFSAYXND-SNVBAGLBSA-N 2 0 242.367 0.494 20 0 BCADRP CCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310572401 388485498 /nfs/dbraw/zinc/48/54/98/388485498.db2.gz OMXCEOKZZVFLLQ-TXEJJXNPSA-N 2 0 239.363 0.444 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000564331974 388486515 /nfs/dbraw/zinc/48/65/15/388486515.db2.gz NFQHAIROPPROEV-OUAUKWLOSA-N 2 0 225.336 0.372 20 0 BCADRP COC(C)(C)[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000340251459 388489121 /nfs/dbraw/zinc/48/91/21/388489121.db2.gz QRLBYJXKBWWKEF-NSHDSACASA-N 2 0 244.379 0.846 20 0 BCADRP CC[C@@]1([NH2+]C[C@H](O)C[N@H+](C)C(C)C)CCOC1 ZINC000378736175 388490446 /nfs/dbraw/zinc/49/04/46/388490446.db2.gz GGVYBIXAQMQDTM-QWHCGFSZSA-N 2 0 244.379 0.846 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000646769959 388493277 /nfs/dbraw/zinc/49/32/77/388493277.db2.gz NPZXQJNSESOAOR-DCAQKATOSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000646769929 388493415 /nfs/dbraw/zinc/49/34/15/388493415.db2.gz LHTRWHPMBCRHIW-GARJFASQSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@]1(O)CC[NH+](CCC[N@H+]2CC[C@@](C)(O)C2)C1 ZINC000177967772 388494378 /nfs/dbraw/zinc/49/43/78/388494378.db2.gz XUFGBJVTAGCRJJ-CHWSQXEVSA-N 2 0 242.363 0.290 20 0 BCADRP C[C@]1(C(=O)N2CCC(CC[NH3+])CC2)CC[NH2+]C1 ZINC000517387655 388548871 /nfs/dbraw/zinc/54/88/71/388548871.db2.gz GUPSCVASKUJMAO-ZDUSSCGKSA-N 2 0 239.363 0.573 20 0 BCADRP [NH3+]C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000646784521 388501388 /nfs/dbraw/zinc/50/13/88/388501388.db2.gz LDALPYOEVWNZKK-WDEREUQCSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](CC(=O)N(C)CCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000646783276 388501405 /nfs/dbraw/zinc/50/14/05/388501405.db2.gz ZHCCHGZKKCXQNV-VXGBXAGGSA-N 2 0 241.379 0.819 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000646783871 388501998 /nfs/dbraw/zinc/50/19/98/388501998.db2.gz MGNLNFRUXVJUST-JTQLQIEISA-N 2 0 225.336 0.183 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@H](C[NH3+])C2CC2)o1 ZINC000646784936 388502734 /nfs/dbraw/zinc/50/27/34/388502734.db2.gz VMXZBKKWMQWYSP-SECBINFHSA-N 2 0 223.276 0.205 20 0 BCADRP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000648931161 388504045 /nfs/dbraw/zinc/50/40/45/388504045.db2.gz PZGGCTJBXQSCDS-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000576821493 388506964 /nfs/dbraw/zinc/50/69/64/388506964.db2.gz OLSCSSDYVWQUSO-NAKRPEOUSA-N 2 0 242.367 0.409 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000516969101 256808916 /nfs/dbraw/zinc/80/89/16/256808916.db2.gz JMBYQGJGCFCIMZ-JTQLQIEISA-N 2 0 227.352 0.300 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000516969103 388528837 /nfs/dbraw/zinc/52/88/37/388528837.db2.gz JMBYQGJGCFCIMZ-SNVBAGLBSA-N 2 0 227.352 0.300 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CCC[NH2+]C2)C1 ZINC000517030434 388531962 /nfs/dbraw/zinc/53/19/62/388531962.db2.gz OCXKTKYMYXVBKQ-UTUOFQBUSA-N 2 0 211.353 0.846 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC[C@H]2CCC[NH2+]C2)C1 ZINC000517030433 388532010 /nfs/dbraw/zinc/53/20/10/388532010.db2.gz OCXKTKYMYXVBKQ-TUAOUCFPSA-N 2 0 211.353 0.846 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000517028043 388533576 /nfs/dbraw/zinc/53/35/76/388533576.db2.gz FQRBATIXSNNULK-WDEREUQCSA-N 2 0 227.352 0.490 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)CCO)[C@H](C)C1 ZINC000079462379 388535138 /nfs/dbraw/zinc/53/51/38/388535138.db2.gz BPXTWNGHMULXLK-MNOVXSKESA-N 2 0 200.326 0.641 20 0 BCADRP C[C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000084382473 135216228 /nfs/dbraw/zinc/21/62/28/135216228.db2.gz CXHWMETXOBSHMS-ZJUUUORDSA-N 2 0 213.325 0.052 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000020217836 388590792 /nfs/dbraw/zinc/59/07/92/388590792.db2.gz KPGZIIXNYJNOTA-SNVBAGLBSA-N 2 0 213.325 0.134 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000649310584 388596781 /nfs/dbraw/zinc/59/67/81/388596781.db2.gz XBGPDOSISNNTBI-MNOVXSKESA-N 2 0 239.363 0.442 20 0 BCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCNC1=O ZINC000245689110 388598554 /nfs/dbraw/zinc/59/85/54/388598554.db2.gz OWZNLGOPBBLUIY-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649312808 388600085 /nfs/dbraw/zinc/60/00/85/388600085.db2.gz YYZKMAIMNYGZBY-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)CC[NH2+]C ZINC000220124141 388601363 /nfs/dbraw/zinc/60/13/63/388601363.db2.gz ZRIDJHVOWFNHQS-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2O)CC1(C)C ZINC000623767087 388604548 /nfs/dbraw/zinc/60/45/48/388604548.db2.gz PRGHQCSHBOEXLG-QJPTWQEYSA-N 2 0 242.363 0.599 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000646839283 388612799 /nfs/dbraw/zinc/61/27/99/388612799.db2.gz ALKOTFCNXAYDLF-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646839282 388612940 /nfs/dbraw/zinc/61/29/40/388612940.db2.gz ALKOTFCNXAYDLF-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000646817588 388552983 /nfs/dbraw/zinc/55/29/83/388552983.db2.gz NRJWRVVKRTXXTI-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP Cc1noc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000358021493 388553135 /nfs/dbraw/zinc/55/31/35/388553135.db2.gz HPKRINVWULLNNM-KOLCDFICSA-N 2 0 238.335 0.850 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H](C)[NH2+]C ZINC000517585852 388554504 /nfs/dbraw/zinc/55/45/04/388554504.db2.gz INPHKWWXRPEDOB-QMMMGPOBSA-N 2 0 201.314 0.228 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000365094234 388564233 /nfs/dbraw/zinc/56/42/33/388564233.db2.gz NPGSRABAVLCKOQ-WCABBAIRSA-N 2 0 211.309 0.064 20 0 BCADRP C[N@H+](CCCO)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367600334 388565414 /nfs/dbraw/zinc/56/54/14/388565414.db2.gz BRWSBRFUAIDZOI-FOSCPWQOSA-N 2 0 212.337 0.926 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCCC[NH3+] ZINC000368010361 388567277 /nfs/dbraw/zinc/56/72/77/388567277.db2.gz RQNOEQMUUMIIAF-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649295510 388573449 /nfs/dbraw/zinc/57/34/49/388573449.db2.gz QURUTPVPXFUZSU-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649297732 388575492 /nfs/dbraw/zinc/57/54/92/388575492.db2.gz UGMBHUNOFOMPQF-KVSVUVNWSA-N 2 0 249.358 0.195 20 0 BCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649298139 388576338 /nfs/dbraw/zinc/57/63/38/388576338.db2.gz UGVDIRVKIBUZCH-FTYKPCCVSA-N 2 0 249.358 0.052 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN([C@H](C)C(N)=O)C1 ZINC000247531510 388666251 /nfs/dbraw/zinc/66/62/51/388666251.db2.gz OGATZTNMCSNWCU-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000521999030 388673847 /nfs/dbraw/zinc/67/38/47/388673847.db2.gz VPLCNAXDHKJJTG-WDEREUQCSA-N 2 0 227.352 0.476 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000522001378 388674023 /nfs/dbraw/zinc/67/40/23/388674023.db2.gz HNZDZZYLFAPUEC-WZRBSPASSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000621702383 388677724 /nfs/dbraw/zinc/67/77/24/388677724.db2.gz UBDKOJACUMXIHD-JMJZKYOTSA-N 2 0 225.336 0.371 20 0 BCADRP C(C1CCOCC1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000078570870 388682978 /nfs/dbraw/zinc/68/29/78/388682978.db2.gz SLASAZMRKWCCLM-VXGBXAGGSA-N 2 0 210.321 0.564 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000521873786 388637259 /nfs/dbraw/zinc/63/72/59/388637259.db2.gz OJINUFIKKMYOAA-WDEREUQCSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@@H]([NH3+])CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240792 388637571 /nfs/dbraw/zinc/63/75/71/388637571.db2.gz NVNYPRPDQIVRCI-YPMHNXCESA-N 2 0 241.379 0.424 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000521876362 388638222 /nfs/dbraw/zinc/63/82/22/388638222.db2.gz ZNWHSPDKJKPYFT-MXWKQRLJSA-N 2 0 227.352 0.476 20 0 BCADRP [NH3+][C@@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000521885235 388638566 /nfs/dbraw/zinc/63/85/66/388638566.db2.gz PZAYWYJZYXQTDC-CQSZACIVSA-N 2 0 231.343 0.865 20 0 BCADRP C[C@@]1(CN[C@H]2CC[NH2+]C23CCC3)CC[NH2+]C1 ZINC000530244742 388638926 /nfs/dbraw/zinc/63/89/26/388638926.db2.gz NCVGULUYRJMSIV-NWDGAFQWSA-N 2 0 223.364 0.860 20 0 BCADRP [NH3+]CC1(CN[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530244014 388638941 /nfs/dbraw/zinc/63/89/41/388638941.db2.gz JYEMJMZAEIFOCU-SNVBAGLBSA-N 2 0 209.337 0.600 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH3+])[C@@H](C)C1 ZINC000246490056 388639550 /nfs/dbraw/zinc/63/95/50/388639550.db2.gz PFISQAIHJLOXSU-DCAQKATOSA-N 2 0 227.352 0.522 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000530345488 388651192 /nfs/dbraw/zinc/65/11/92/388651192.db2.gz MUYWNGKYBWTBRJ-GFCCVEGCSA-N 2 0 241.379 0.738 20 0 BCADRP CC[NH+](CC)CC(=O)NCC[NH+](C)C ZINC000194490348 388734120 /nfs/dbraw/zinc/73/41/20/388734120.db2.gz XTIYPVRJGREBME-UHFFFAOYSA-N 2 0 201.314 0.006 20 0 BCADRP C[C@H](CO)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000251078802 388744528 /nfs/dbraw/zinc/74/45/28/388744528.db2.gz HABDTNKAVPPOEF-DCAQKATOSA-N 2 0 200.326 0.722 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC000522146677 388705253 /nfs/dbraw/zinc/70/52/53/388705253.db2.gz SERVIIDAOHIRNQ-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000522248417 388733695 /nfs/dbraw/zinc/73/36/95/388733695.db2.gz GIIPHDBRUGXHTN-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CO[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000229602643 388796601 /nfs/dbraw/zinc/79/66/01/388796601.db2.gz FDINCDHGFSZXJZ-AXFHLTTASA-N 2 0 200.326 0.951 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)COC)C[C@@H]1C ZINC000539719201 388772351 /nfs/dbraw/zinc/77/23/51/388772351.db2.gz PLPOUKIMAULKGI-XQQFMLRXSA-N 2 0 244.379 0.798 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092004759 388782134 /nfs/dbraw/zinc/78/21/34/388782134.db2.gz YLKAXBFMLBDGEG-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000129372404 388835035 /nfs/dbraw/zinc/83/50/35/388835035.db2.gz OGAXMHBRBTWGMZ-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCn2ccnc2)CC[N@@H+]1C ZINC000129662123 388863118 /nfs/dbraw/zinc/86/31/18/388863118.db2.gz OYTGZFIXSMDBGO-NEPJUHHUSA-N 2 0 222.336 0.955 20 0 BCADRP Cn1nccc1CCN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000300015232 388847643 /nfs/dbraw/zinc/84/76/43/388847643.db2.gz DXVRVRQLNNUOKT-WCQYABFASA-N 2 0 234.347 0.646 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000523662592 388849958 /nfs/dbraw/zinc/84/99/58/388849958.db2.gz XBFJLAIMWRXYPZ-JTQLQIEISA-N 2 0 213.325 0.006 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC1(C)CC[NH2+]CC1 ZINC000193324101 388850368 /nfs/dbraw/zinc/85/03/68/388850368.db2.gz ABCVARBXRIHJJD-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000564586802 388880554 /nfs/dbraw/zinc/88/05/54/388880554.db2.gz SKWRPBSBNTZXOE-ZETCQYMHSA-N 2 0 241.257 0.380 20 0 BCADRP CN(C[C@H](O)C[NH2+]C[C@@H]1CC12CC2)C1CC1 ZINC000564855795 388893810 /nfs/dbraw/zinc/89/38/10/388893810.db2.gz FASMXVULPJBQAX-CMPLNLGQSA-N 2 0 224.348 0.831 20 0 BCADRP COC[C@@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000564851303 388893837 /nfs/dbraw/zinc/89/38/37/388893837.db2.gz BERSSBDURZNTQW-BPCQOVAHSA-N 2 0 244.379 0.704 20 0 BCADRP C[NH+](C)Cc1ccnc(NC(=O)C2(C)C[NH2+]C2)c1 ZINC000564924887 388897716 /nfs/dbraw/zinc/89/77/16/388897716.db2.gz SAKPRBANCUAPGP-UHFFFAOYSA-N 2 0 248.330 0.691 20 0 BCADRP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000564933012 388899121 /nfs/dbraw/zinc/89/91/21/388899121.db2.gz HYDRQBJIZXJNDT-GFQSEFKGSA-N 2 0 249.358 0.339 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)c1coc(C[NH3+])c1 ZINC000564944292 388899721 /nfs/dbraw/zinc/89/97/21/388899721.db2.gz LGAVHGSKZLUVDJ-QMMMGPOBSA-N 2 0 225.292 0.324 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000194857387 388899800 /nfs/dbraw/zinc/89/98/00/388899800.db2.gz OYGXETZJAJSNNQ-VHSXEESVSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@H](CC(=O)NC[C@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000194857428 388900197 /nfs/dbraw/zinc/90/01/97/388900197.db2.gz OYGXETZJAJSNNQ-ZJUUUORDSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000564949552 388900615 /nfs/dbraw/zinc/90/06/15/388900615.db2.gz ANEWJLNEPUMBDJ-UTLUCORTSA-N 2 0 225.336 0.323 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)ccn1 ZINC000564957100 388901116 /nfs/dbraw/zinc/90/11/16/388901116.db2.gz ZMFDFKDEEWOQMT-MWLCHTKSSA-N 2 0 248.330 0.398 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000564956847 388901476 /nfs/dbraw/zinc/90/14/76/388901476.db2.gz TXNIXONAGNEJJH-IVZWLZJFSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000564955449 388901622 /nfs/dbraw/zinc/90/16/22/388901622.db2.gz SGFJUTKALMZJGL-MNOVXSKESA-N 2 0 227.352 0.762 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000564956539 388901829 /nfs/dbraw/zinc/90/18/29/388901829.db2.gz NEKDBBJSGRSCAN-QWRGUYRKSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000564955385 388901804 /nfs/dbraw/zinc/90/18/04/388901804.db2.gz YUQUSJFBTRAZQR-IVZWLZJFSA-N 2 0 213.325 0.357 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000564459214 388875805 /nfs/dbraw/zinc/87/58/05/388875805.db2.gz QIGRNJACCCSLGY-QWRGUYRKSA-N 2 0 216.325 0.068 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCO[C@H](C)C1 ZINC000564459213 388876289 /nfs/dbraw/zinc/87/62/89/388876289.db2.gz QIGRNJACCCSLGY-MNOVXSKESA-N 2 0 216.325 0.068 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000564994149 388906587 /nfs/dbraw/zinc/90/65/87/388906587.db2.gz NNLHJLDZCQHOGT-VWYCJHECSA-N 2 0 225.336 0.276 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)c1coc(C[NH3+])c1 ZINC000565000729 388907744 /nfs/dbraw/zinc/90/77/44/388907744.db2.gz GLKIWAZMOXQVNQ-UHFFFAOYSA-N 2 0 225.292 0.596 20 0 BCADRP [NH3+]CCc1ccccc1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000565149730 388916992 /nfs/dbraw/zinc/91/69/92/388916992.db2.gz ABVTYUGHNDQYMC-ITGUQSILSA-N 2 0 245.326 0.135 20 0 BCADRP CCN(C)C[C@H](O)C[N@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000565158471 388918819 /nfs/dbraw/zinc/91/88/19/388918819.db2.gz SDJJTAJHJSNIEK-XQQFMLRXSA-N 2 0 244.379 0.534 20 0 BCADRP CC[C@H](C)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565233680 388924857 /nfs/dbraw/zinc/92/48/57/388924857.db2.gz OJNHYPCGUDIDPF-GARJFASQSA-N 2 0 225.336 0.276 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC2(C1)CCOCC2 ZINC000565224678 388927897 /nfs/dbraw/zinc/92/78/97/388927897.db2.gz MJYLHVRZJZAGHS-LBPRGKRZSA-N 2 0 242.363 0.411 20 0 BCADRP CC(C)CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565234690 388930031 /nfs/dbraw/zinc/93/00/31/388930031.db2.gz XEWDKORZHBFPGX-NWDGAFQWSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(Cc2nc(C3CC3)nn2C)C1 ZINC000564987700 388905131 /nfs/dbraw/zinc/90/51/31/388905131.db2.gz HFJFZHUIAQMVGG-ONGXEEELSA-N 2 0 249.362 0.862 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCCNc1cc[nH+]cc1 ZINC000565714122 388963290 /nfs/dbraw/zinc/96/32/90/388963290.db2.gz QPIVDNCMSXHCCW-NSHDSACASA-N 2 0 236.319 0.015 20 0 BCADRP C[NH+](C)Cc1ccccc1C(=O)NCC[NH3+] ZINC000565540210 388952691 /nfs/dbraw/zinc/95/26/91/388952691.db2.gz MBDMUVAZBNWRRO-UHFFFAOYSA-N 2 0 221.304 0.437 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000566067897 388985613 /nfs/dbraw/zinc/98/56/13/388985613.db2.gz HPUSULXOBWGAAR-NGZCFLSTSA-N 2 0 225.336 0.371 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000565833907 388971626 /nfs/dbraw/zinc/97/16/26/388971626.db2.gz UHZZJUCPUNADNK-JHJVBQTASA-N 2 0 223.364 0.670 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000236874720 169707588 /nfs/dbraw/zinc/70/75/88/169707588.db2.gz HIVPROXZAQFOSF-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)CC[NH2+]C1CC1 ZINC000041680279 322836397 /nfs/dbraw/zinc/83/63/97/322836397.db2.gz RQZWUNAFCWYLEG-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@@H](C(=O)NCC1([NH+](C)C)CCCC1)[C@H](C)[NH3+] ZINC000157068367 133480299 /nfs/dbraw/zinc/48/02/99/133480299.db2.gz RCAGYUSSYAYWBT-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1CCN(C(=O)C2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000334264514 133607964 /nfs/dbraw/zinc/60/79/64/133607964.db2.gz LBBAFDSFOKDKTP-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000335437224 133845616 /nfs/dbraw/zinc/84/56/16/133845616.db2.gz OUSGXINHZYDCBK-WDEREUQCSA-N 2 0 242.367 0.458 20 0 BCADRP C[NH+](C)CC1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000335453967 133851503 /nfs/dbraw/zinc/85/15/03/133851503.db2.gz ICDSOVSSXVKSOX-TXEJJXNPSA-N 2 0 239.363 0.524 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000335419685 133861807 /nfs/dbraw/zinc/86/18/07/133861807.db2.gz XFFYIJFJKVSUTQ-NSHDSACASA-N 2 0 237.347 0.422 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167516907 134000766 /nfs/dbraw/zinc/00/07/66/134000766.db2.gz IUXYTMNLPSZOGO-QJPTWQEYSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@]1(C(=O)N2CCC[C@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000335946094 134020024 /nfs/dbraw/zinc/02/00/24/134020024.db2.gz AQQGMDRPEXATPF-DGCLKSJQSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335990378 134040356 /nfs/dbraw/zinc/04/03/56/134040356.db2.gz AUVQFBAVPWSSRQ-DGCLKSJQSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000336032487 134058669 /nfs/dbraw/zinc/05/86/69/134058669.db2.gz BEKUDQZSWQQMIF-WCQYABFASA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000336118323 134089436 /nfs/dbraw/zinc/08/94/36/134089436.db2.gz RPNFYULUGUWAGR-WDEREUQCSA-N 2 0 225.336 0.326 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CC([NH3+])C1 ZINC000336212077 134134722 /nfs/dbraw/zinc/13/47/22/134134722.db2.gz YGTJJFBKBWGQKY-JPPWEJMLSA-N 2 0 225.336 0.323 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CC([NH3+])C1 ZINC000336212081 134134749 /nfs/dbraw/zinc/13/47/49/134134749.db2.gz YGTJJFBKBWGQKY-TVUZUIDESA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C2([NH3+])CCC2)C[N@@H+]1C1CC1 ZINC000336213114 134135635 /nfs/dbraw/zinc/13/56/35/134135635.db2.gz CVVVXOIPVGCNDZ-NXEZZACHSA-N 2 0 237.347 0.609 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168557911 134226371 /nfs/dbraw/zinc/22/63/71/134226371.db2.gz PHDPTLVYRZWAPU-NXEZZACHSA-N 2 0 214.309 0.609 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169031019 134248907 /nfs/dbraw/zinc/24/89/07/134248907.db2.gz VTBDKBMVOKAFRD-UTLUCORTSA-N 2 0 213.325 0.323 20 0 BCADRP CCc1cc(N(C)C2C[NH2+]C2)nc(C)n1 ZINC000085258515 134273032 /nfs/dbraw/zinc/27/30/32/134273032.db2.gz TZXGDZCPOQPUNR-UHFFFAOYSA-N 2 0 206.293 0.755 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000219974191 134295883 /nfs/dbraw/zinc/29/58/83/134295883.db2.gz IFAQTJTUTXXUCU-VIFPVBQESA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H]1CN(C(=O)C2([NH3+])CCCC2)C[C@H](C)[NH2+]1 ZINC000178409883 134310128 /nfs/dbraw/zinc/31/01/28/134310128.db2.gz CTUAVQKKMACZPN-AOOOYVTPSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+][C@@H](C(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000178406710 134310241 /nfs/dbraw/zinc/31/02/41/134310241.db2.gz PNNFGEYLGNZUBU-VXGBXAGGSA-N 2 0 233.315 0.555 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747479 134310917 /nfs/dbraw/zinc/31/09/17/134310917.db2.gz ZYWYIHQFVNHRIW-SECBINFHSA-N 2 0 211.309 0.030 20 0 BCADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000178787358 134311143 /nfs/dbraw/zinc/31/11/43/134311143.db2.gz NZTVQCGOEPMKJI-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000178601112 134312239 /nfs/dbraw/zinc/31/22/39/134312239.db2.gz DXFSPXLMRBIZGY-MWLCHTKSSA-N 2 0 241.379 0.946 20 0 BCADRP CCCN(C(=O)[C@@]1(F)CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000178936467 134313729 /nfs/dbraw/zinc/31/37/29/134313729.db2.gz TZSXOGIPZKAYEV-ZYHUDNBSSA-N 2 0 243.326 0.289 20 0 BCADRP CNC(=O)[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178972919 134314070 /nfs/dbraw/zinc/31/40/70/134314070.db2.gz ZVHBIKAAPOKPNQ-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP COC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000178974128 134314220 /nfs/dbraw/zinc/31/42/20/134314220.db2.gz PRZKMNJRGMJFRS-LBPRGKRZSA-N 2 0 228.336 0.333 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH2+]C)[C@H](C)C1 ZINC000178814062 134315438 /nfs/dbraw/zinc/31/54/38/134315438.db2.gz JECQIJLBTFMYMS-GHMZBOCLSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000178817788 134315630 /nfs/dbraw/zinc/31/56/30/134315630.db2.gz OPVHUGYVEFBHED-IUCAKERBSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(C)(C)C[NH+](C)C ZINC000178817918 134315834 /nfs/dbraw/zinc/31/58/34/134315834.db2.gz MMYNJHUAPMZLGM-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000178867237 134316013 /nfs/dbraw/zinc/31/60/13/134316013.db2.gz AEDKBIUBNWOWIL-VGMNWLOBSA-N 2 0 211.309 0.075 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CCC[NH3+])C[N@@H+]1C1CC1 ZINC000178867489 134316069 /nfs/dbraw/zinc/31/60/69/134316069.db2.gz KDNRQSQPUVZHGU-ZJUUUORDSA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179123277 134317804 /nfs/dbraw/zinc/31/78/04/134317804.db2.gz FBJBAKHHXZUXHO-UWVGGRQHSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@@H]([NH3+])C2)CCCC[NH2+]1 ZINC000180896359 134332172 /nfs/dbraw/zinc/33/21/72/134332172.db2.gz XCRVMXMXHQIIRN-KOLCDFICSA-N 2 0 211.309 0.078 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000180897214 134332244 /nfs/dbraw/zinc/33/22/44/134332244.db2.gz IOHAMTODPRKSSM-DGCLKSJQSA-N 2 0 239.363 0.587 20 0 BCADRP COC[C@H](CCO)[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000223968941 134343406 /nfs/dbraw/zinc/34/34/06/134343406.db2.gz GSNHCJQMVRARRD-WOPDTQHZSA-N 2 0 242.363 0.599 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000224044776 134344398 /nfs/dbraw/zinc/34/43/98/134344398.db2.gz MAJFXMKLOKIFJY-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@H](C[NH2+]C)C2)CCC[NH2+]1 ZINC000184074769 134357609 /nfs/dbraw/zinc/35/76/09/134357609.db2.gz FVORQNDAJWODED-DGCLKSJQSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185174579 134372207 /nfs/dbraw/zinc/37/22/07/134372207.db2.gz WEXQVIXYAIJQQY-ZRUFSTJUSA-N 2 0 239.363 0.556 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000227002645 134373383 /nfs/dbraw/zinc/37/33/83/134373383.db2.gz YRQSZXUHSOLPCC-GRYCIOLGSA-N 2 0 241.379 0.960 20 0 BCADRP Cn1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)nn1 ZINC000227330131 134377951 /nfs/dbraw/zinc/37/79/51/134377951.db2.gz MZDAIDVHIPMBDT-UHFFFAOYSA-N 2 0 237.351 0.637 20 0 BCADRP CCOC(=O)C[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000227747485 134392213 /nfs/dbraw/zinc/39/22/13/134392213.db2.gz DJMFCLUBVBEXPZ-SECBINFHSA-N 2 0 202.298 0.609 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000186898814 134444346 /nfs/dbraw/zinc/44/43/46/134444346.db2.gz DXYGYRNNJZBCSF-MXWKQRLJSA-N 2 0 225.336 0.100 20 0 BCADRP CC[C@]1(C(=O)NCCC[NH+](C)C)CC[NH2+]C1 ZINC000062889451 134455822 /nfs/dbraw/zinc/45/58/22/134455822.db2.gz UEEATSJHAZMJIN-LBPRGKRZSA-N 2 0 227.352 0.444 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973201 134463828 /nfs/dbraw/zinc/46/38/28/134463828.db2.gz HIUVRCMQLZLMNT-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973203 134464270 /nfs/dbraw/zinc/46/42/70/134464270.db2.gz VWGRGQKDTGHGSC-QWRGUYRKSA-N 2 0 225.336 0.420 20 0 BCADRP C[C@@H]1C[C@@H](C(=O)NCCCC[NH+](C)C)CC[NH2+]1 ZINC000235272960 134590210 /nfs/dbraw/zinc/59/02/10/134590210.db2.gz HXBSCFPHYUMYCM-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000131832787 134634561 /nfs/dbraw/zinc/63/45/61/134634561.db2.gz TZDXQZLDYPOZOJ-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@H]1C[NH3+] ZINC000131913271 134636614 /nfs/dbraw/zinc/63/66/14/134636614.db2.gz SIOFMJIRCJWSOJ-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@]1(C(=O)N2CC[C@H]([NH2+]C)C2)CCC[NH2+]1 ZINC000134365471 134707282 /nfs/dbraw/zinc/70/72/82/134707282.db2.gz GAKTUUJRPBKKHM-JQWIXIFHSA-N 2 0 225.336 0.339 20 0 BCADRP CC[C@@]1(C(=O)N2CCC([NH2+]C)CC2)CCC[NH2+]1 ZINC000134368154 134708336 /nfs/dbraw/zinc/70/83/36/134708336.db2.gz WSKHOIFAPKYXFA-ZDUSSCGKSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134547920 134713137 /nfs/dbraw/zinc/71/31/37/134713137.db2.gz LGCIQSKQKLLBRU-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP CCNC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056525061 134782700 /nfs/dbraw/zinc/78/27/00/134782700.db2.gz ZRNHQSPRZZLFMM-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CC1CC[NH2+]CC1 ZINC000236801506 134837028 /nfs/dbraw/zinc/83/70/28/134837028.db2.gz STJMOFIKNXXXJT-CYBMUJFWSA-N 2 0 241.379 0.866 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH2+]CC1 ZINC000237906564 134847118 /nfs/dbraw/zinc/84/71/18/134847118.db2.gz SIFCTEJVKAJDIQ-NWDGAFQWSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]CC1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000238023714 134848556 /nfs/dbraw/zinc/84/85/56/134848556.db2.gz ULRSEOPQAZGXPG-UHFFFAOYSA-N 2 0 225.336 0.455 20 0 BCADRP C[C@H]1NCCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335644691 134851703 /nfs/dbraw/zinc/85/17/03/134851703.db2.gz XQBUICQYOXCWRF-YYJSSNLHSA-N 2 0 211.353 0.986 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000248604430 135015623 /nfs/dbraw/zinc/01/56/23/135015623.db2.gz JRDRNQVBYUUAEV-PREPNJAASA-N 2 0 237.347 0.310 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248665507 135018662 /nfs/dbraw/zinc/01/86/62/135018662.db2.gz WEXQVIXYAIJQQY-UKKRHICBSA-N 2 0 239.363 0.556 20 0 BCADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C[NH2+]CC3CC3)C[C@H]12 ZINC000248703147 135019633 /nfs/dbraw/zinc/01/96/33/135019633.db2.gz ZZTVLPUSOXTSGT-SDDRHHMPSA-N 2 0 237.347 0.182 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000248573774 135020638 /nfs/dbraw/zinc/02/06/38/135020638.db2.gz DDVJVYFATFBBIH-UKKRHICBSA-N 2 0 225.336 0.038 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000249017546 135029117 /nfs/dbraw/zinc/02/91/17/135029117.db2.gz KGJQZTPBGJKGCF-QHZLYTNSSA-N 2 0 225.336 0.165 20 0 BCADRP CN(C)C(=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250346535 135052598 /nfs/dbraw/zinc/05/25/98/135052598.db2.gz PZERZKBBEFDZJS-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH+](C)CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250358577 135052636 /nfs/dbraw/zinc/05/26/36/135052636.db2.gz QZXGXEBDDLRJKD-RYUDHWBXSA-N 2 0 211.353 0.764 20 0 BCADRP C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251072337 135062197 /nfs/dbraw/zinc/06/21/97/135062197.db2.gz FSORNWBJNQZQAA-TUAOUCFPSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@H]1CN(CC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000251646527 135073207 /nfs/dbraw/zinc/07/32/07/135073207.db2.gz GEIDDZKMQLSEPV-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC(C)(C)[NH3+] ZINC000251704136 135074220 /nfs/dbraw/zinc/07/42/20/135074220.db2.gz JASUVJIQZNIHFT-MNOVXSKESA-N 2 0 239.363 0.809 20 0 BCADRP C[C@@H]1CN(C)CC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251863129 135080388 /nfs/dbraw/zinc/08/03/88/135080388.db2.gz SRCRPHLQRLQJJG-VXGBXAGGSA-N 2 0 211.353 0.622 20 0 BCADRP COC(=O)CCC[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638426 135092030 /nfs/dbraw/zinc/09/20/30/135092030.db2.gz IJLKTEVGOYNHEV-UHFFFAOYSA-N 2 0 216.325 0.856 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000252639465 135092988 /nfs/dbraw/zinc/09/29/88/135092988.db2.gz JXKAFVKRFKGZIE-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP COC(=O)[C@@H](C)C[N@H+](C)CC1CC[NH2+]CC1 ZINC000086702781 135095416 /nfs/dbraw/zinc/09/54/16/135095416.db2.gz OFLIWIDXKZUPQG-JTQLQIEISA-N 2 0 228.336 0.727 20 0 BCADRP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252698183 135098042 /nfs/dbraw/zinc/09/80/42/135098042.db2.gz LMYACUBMOAPZPS-GRYCIOLGSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(O)CCC1 ZINC000252709084 135098496 /nfs/dbraw/zinc/09/84/96/135098496.db2.gz BYAJVTYHQJETNV-WDEREUQCSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCOC1 ZINC000252710161 135099106 /nfs/dbraw/zinc/09/91/06/135099106.db2.gz FVSASCBPFSWPOB-RWMBFGLXSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000252727052 135102313 /nfs/dbraw/zinc/10/23/13/135102313.db2.gz OHAYBIBSMIOKSK-ZRUFSTJUSA-N 2 0 227.352 0.569 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC(=O)N(C)C ZINC000252716873 135102646 /nfs/dbraw/zinc/10/26/46/135102646.db2.gz ZKQYYUMJLGCYKI-GHMZBOCLSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCC[NH+](C)C ZINC000087121778 135107153 /nfs/dbraw/zinc/10/71/53/135107153.db2.gz PUXBAOVFEQPSLB-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CC[NH2+]CC1 ZINC000261555830 135108589 /nfs/dbraw/zinc/10/85/89/135108589.db2.gz QCJCRFHAGBWRDZ-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000261774734 135111245 /nfs/dbraw/zinc/11/12/45/135111245.db2.gz JBNYFUXCLHTDOX-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C(C[NH+]1CCCCC1)NC1=[NH+]CCCN1 ZINC000261703549 135111289 /nfs/dbraw/zinc/11/12/89/135111289.db2.gz CRTUIDHIYJFCKS-UHFFFAOYSA-N 2 0 210.325 0.411 20 0 BCADRP c1cn(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)nn1 ZINC000252856006 135114131 /nfs/dbraw/zinc/11/41/31/135114131.db2.gz KNMWYYHRIHHEKP-STQMWFEESA-N 2 0 249.362 0.885 20 0 BCADRP CO[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCOC1 ZINC000252860073 135114279 /nfs/dbraw/zinc/11/42/79/135114279.db2.gz NQTRJQNIMDKNRJ-UPJWGTAASA-N 2 0 242.363 0.864 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000252874631 135115410 /nfs/dbraw/zinc/11/54/10/135115410.db2.gz VHSXYEUCBVVDSP-DCAQKATOSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000253151490 135121789 /nfs/dbraw/zinc/12/17/89/135121789.db2.gz HKVUWSRFEIZSCX-IJLUTSLNSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]1C[NH+](C[C@@H]2CCCN2CC[NH3+])C[C@@H](C)O1 ZINC000263086730 135124653 /nfs/dbraw/zinc/12/46/53/135124653.db2.gz XZOBSYCBVPBJNT-UPJWGTAASA-N 2 0 241.379 0.519 20 0 BCADRP COCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000259150237 135137442 /nfs/dbraw/zinc/13/74/42/135137442.db2.gz FGBCDZYXTOJICU-LBPRGKRZSA-N 2 0 212.337 0.954 20 0 BCADRP Cc1n[nH]cc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000257764748 135141311 /nfs/dbraw/zinc/14/13/11/135141311.db2.gz ZAAZEKDLPIQTJR-CYBMUJFWSA-N 2 0 249.362 0.198 20 0 BCADRP C[C@@H]1COCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261545764 135151109 /nfs/dbraw/zinc/15/11/09/135151109.db2.gz KJBFMBFCAJKYIX-NWDGAFQWSA-N 2 0 212.337 0.954 20 0 BCADRP C[N@@H+]1CCN(CC[NH3+])C2(CCCCC2)C1 ZINC000261530837 135159028 /nfs/dbraw/zinc/15/90/28/135159028.db2.gz DGQMWUKQTDHTPP-UHFFFAOYSA-N 2 0 211.353 0.895 20 0 BCADRP OC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC[NH2+]C1 ZINC000087647880 135161390 /nfs/dbraw/zinc/16/13/90/135161390.db2.gz CIMGCWGBTFIFHF-ACJTYDJDSA-N 2 0 224.348 0.974 20 0 BCADRP [NH3+]CCNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000261531879 135161888 /nfs/dbraw/zinc/16/18/88/135161888.db2.gz IEWIXRGKMKUZTF-SNVBAGLBSA-N 2 0 213.325 0.359 20 0 BCADRP CNC(=O)[C@H](C)C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261535263 135169674 /nfs/dbraw/zinc/16/96/74/135169674.db2.gz XKSMTIDRQDKNKH-MNOVXSKESA-N 2 0 227.352 0.300 20 0 BCADRP C[C@H](CNC(=O)C[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000261536304 135171363 /nfs/dbraw/zinc/17/13/63/135171363.db2.gz REQCWXWOZUWGGD-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH+](C)CC(=O)NCC1([NH3+])CCCCC1 ZINC000261537613 135174264 /nfs/dbraw/zinc/17/42/64/135174264.db2.gz VVELSSUSGZRXOL-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP CC1(C)CC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000261538415 135176192 /nfs/dbraw/zinc/17/61/92/135176192.db2.gz XZOLTBRIIIVTNB-LLVKDONJSA-N 2 0 211.353 0.670 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000261539537 135177674 /nfs/dbraw/zinc/17/76/74/135177674.db2.gz CRZWGNITFFKKDH-ZJUUUORDSA-N 2 0 213.325 0.243 20 0 BCADRP CCOC[C@@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000261540027 135178525 /nfs/dbraw/zinc/17/85/25/135178525.db2.gz DOXOXQHWPVTPMW-LLVKDONJSA-N 2 0 216.325 0.320 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C[C@H]1CCC[NH2+]C1 ZINC000261540246 135179506 /nfs/dbraw/zinc/17/95/06/135179506.db2.gz DWDVWGCDROPZLJ-TUAOUCFPSA-N 2 0 211.353 0.668 20 0 BCADRP CNC(=O)[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261541068 135181119 /nfs/dbraw/zinc/18/11/19/135181119.db2.gz JECWZALUGMHDSD-RYUDHWBXSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@]1(C[N@@H+]2C[C@@H](O)C3(CC3)C2)CC[NH2+]C1 ZINC000261541096 135181270 /nfs/dbraw/zinc/18/12/70/135181270.db2.gz FNCPZKSOUQIKRX-MNOVXSKESA-N 2 0 210.321 0.443 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000261543938 135184481 /nfs/dbraw/zinc/18/44/81/135184481.db2.gz IIEKDBDDRBKKMB-RKDXNWHRSA-N 2 0 215.341 0.413 20 0 BCADRP C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000261543524 135184790 /nfs/dbraw/zinc/18/47/90/135184790.db2.gz UBAFHKCJHYXIAS-UTUOFQBUSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000261550815 135190030 /nfs/dbraw/zinc/19/00/30/135190030.db2.gz PSSIZZBJPDSDNC-GUBZILKMSA-N 2 0 213.325 0.051 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000084186728 135191135 /nfs/dbraw/zinc/19/11/35/135191135.db2.gz IXXIJXVLMDGPRA-LLVKDONJSA-N 2 0 239.363 0.811 20 0 BCADRP CN(CCOCC[NH3+])CC[C@H]1CCCC[N@@H+]1C ZINC000261553834 135193418 /nfs/dbraw/zinc/19/34/18/135193418.db2.gz OGTVOAVRAIDTDH-CYBMUJFWSA-N 2 0 243.395 0.768 20 0 BCADRP C[NH+](C)CC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000261557680 135198157 /nfs/dbraw/zinc/19/81/57/135198157.db2.gz CTPBKWNLYGQFQN-CYBMUJFWSA-N 2 0 247.342 0.551 20 0 BCADRP CCCN(CCOCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000261558195 135198929 /nfs/dbraw/zinc/19/89/29/135198929.db2.gz XZVFNBGJMKCDGQ-LLVKDONJSA-N 2 0 215.341 0.036 20 0 BCADRP COCCOCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261561177 135202211 /nfs/dbraw/zinc/20/22/11/135202211.db2.gz AKWYJFLOKNJHKW-NEPJUHHUSA-N 2 0 228.336 0.191 20 0 BCADRP CCC(C)(C)NC(=O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000261562213 135203665 /nfs/dbraw/zinc/20/36/65/135203665.db2.gz WCPWNXCKOPDZOR-ZDUSSCGKSA-N 2 0 241.379 0.962 20 0 BCADRP c1cnn(CCN2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261564471 135205696 /nfs/dbraw/zinc/20/56/96/135205696.db2.gz CPMCWOGMLSLTQZ-NWDGAFQWSA-N 2 0 220.320 0.567 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000084308890 135207026 /nfs/dbraw/zinc/20/70/26/135207026.db2.gz RBFDTBWDEMHWLI-QWRGUYRKSA-N 2 0 227.352 0.429 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000261565759 135207537 /nfs/dbraw/zinc/20/75/37/135207537.db2.gz DFLXAMYZXZAIJU-GUBZILKMSA-N 2 0 213.325 0.084 20 0 BCADRP O[C@@H](C[NH2+][C@H]1CCCSC1)C[NH+]1CCCC1 ZINC000163972519 135209779 /nfs/dbraw/zinc/20/97/79/135209779.db2.gz CMUBTVBVNLEORX-RYUDHWBXSA-N 2 0 244.404 0.928 20 0 BCADRP C[C@@H](Cn1cncn1)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000164123280 135212740 /nfs/dbraw/zinc/21/27/40/135212740.db2.gz RRKHONOHMNEOPY-SDDRHHMPSA-N 2 0 237.351 0.739 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C[C@H](C)[NH3+] ZINC000261572823 135214557 /nfs/dbraw/zinc/21/45/57/135214557.db2.gz IISWTVOREXNGGW-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP CCSCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261573126 135214968 /nfs/dbraw/zinc/21/49/68/135214968.db2.gz IPRMWFBJDZYONN-LBPRGKRZSA-N 2 0 243.420 0.719 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000084383166 135216741 /nfs/dbraw/zinc/21/67/41/135216741.db2.gz XAMNHHXINAZCFZ-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1C[NH2+]C1 ZINC000164227749 135216963 /nfs/dbraw/zinc/21/69/63/135216963.db2.gz QAKWGDWYLJOSCB-CMPLNLGQSA-N 2 0 237.347 0.149 20 0 BCADRP CCNC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261581681 135222683 /nfs/dbraw/zinc/22/26/83/135222683.db2.gz NQFAETAVYSFMNH-UHFFFAOYSA-N 2 0 225.336 0.198 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCOCC(F)F ZINC000261583275 135224343 /nfs/dbraw/zinc/22/43/43/135224343.db2.gz OWYYJVTVRPYXHO-RKDXNWHRSA-N 2 0 222.279 0.937 20 0 BCADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000164380743 135225389 /nfs/dbraw/zinc/22/53/89/135225389.db2.gz VOLIIZQXENCANE-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP CN1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1=O ZINC000261584549 135226138 /nfs/dbraw/zinc/22/61/38/135226138.db2.gz PXXUYJCUVGVEAK-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP C[N@H+](CC1CC[NH2+]CC1)[C@H](CN)C1CC1 ZINC000261591717 135231906 /nfs/dbraw/zinc/23/19/06/135231906.db2.gz VNJQJRPWCQTUTM-GFCCVEGCSA-N 2 0 211.353 0.655 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000261593382 135233581 /nfs/dbraw/zinc/23/35/81/135233581.db2.gz WSOFBDHWBMASRX-DTWKUNHWSA-N 2 0 215.341 0.603 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(C)(C)C[NH3+] ZINC000261594241 135234484 /nfs/dbraw/zinc/23/44/84/135234484.db2.gz XJCFGBWOIFLKRP-DTWKUNHWSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(C)(C)C[NH3+] ZINC000261594240 135234521 /nfs/dbraw/zinc/23/45/21/135234521.db2.gz XJCFGBWOIFLKRP-BDAKNGLRSA-N 2 0 213.325 0.086 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000261594892 135235268 /nfs/dbraw/zinc/23/52/68/135235268.db2.gz XTLQXOXVLYQJPJ-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)([NH3+])CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261594964 135235362 /nfs/dbraw/zinc/23/53/62/135235362.db2.gz XWKAYKPPLMMOSQ-AXFHLTTASA-N 2 0 211.353 0.783 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000261597527 135236796 /nfs/dbraw/zinc/23/67/96/135236796.db2.gz ZEMRZGKWEQUHJS-QWRGUYRKSA-N 2 0 223.324 0.337 20 0 BCADRP CCC[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000261599129 135237360 /nfs/dbraw/zinc/23/73/60/135237360.db2.gz ATUNUFHETYLTRZ-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000261547763 135240922 /nfs/dbraw/zinc/24/09/22/135240922.db2.gz MSJKLBRGOSXPHI-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[NH2+]1 ZINC000261657123 135243320 /nfs/dbraw/zinc/24/33/20/135243320.db2.gz BUCNRLWLBUOXDA-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000261616852 135244695 /nfs/dbraw/zinc/24/46/95/135244695.db2.gz BBFURUKTFRNXLX-SNVBAGLBSA-N 2 0 225.336 0.598 20 0 BCADRP COC(=O)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@@H]1C ZINC000261677606 135245125 /nfs/dbraw/zinc/24/51/25/135245125.db2.gz GQBDEYSWKKLFNO-PWSUYJOCSA-N 2 0 240.347 0.869 20 0 BCADRP C[C@@H]1CCN(C(=O)C[NH2+]CC2CC2)[C@H](C[NH3+])C1 ZINC000261680127 135245143 /nfs/dbraw/zinc/24/51/43/135245143.db2.gz DFNQVPHYSOGYQY-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@]1(C[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261687603 135246054 /nfs/dbraw/zinc/24/60/54/135246054.db2.gz AQLOHXXXPTZXNY-CMPLNLGQSA-N 2 0 225.336 0.183 20 0 BCADRP CN(Cc1cnccn1)C[C@@]1(C)CC[NH2+]C1 ZINC000261695759 135246822 /nfs/dbraw/zinc/24/68/22/135246822.db2.gz BIFXWSKLHQOCJT-LBPRGKRZSA-N 2 0 220.320 0.908 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000261708176 135247297 /nfs/dbraw/zinc/24/72/97/135247297.db2.gz GBJLCAQRCBUPHU-HBNTYKKESA-N 2 0 225.336 0.372 20 0 BCADRP CC[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCNC1=O ZINC000261729077 135248571 /nfs/dbraw/zinc/24/85/71/135248571.db2.gz KCTNTJCKSALJKJ-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000084419812 135248671 /nfs/dbraw/zinc/24/86/71/135248671.db2.gz FVAXQZABMLDZNZ-JTQLQIEISA-N 2 0 227.352 0.524 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C2([NH3+])CC2)C1 ZINC000084419980 135248699 /nfs/dbraw/zinc/24/86/99/135248699.db2.gz AWQJLNPUTSJLIW-SECBINFHSA-N 2 0 211.309 0.030 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C2C[NH2+]C2)C1 ZINC000084412049 135249417 /nfs/dbraw/zinc/24/94/17/135249417.db2.gz PQVVYTYOPGOXPF-NSHDSACASA-N 2 0 225.336 0.149 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000084420062 135249428 /nfs/dbraw/zinc/24/94/28/135249428.db2.gz MCYDCWWCGNXKGF-QWRGUYRKSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000261774736 135251951 /nfs/dbraw/zinc/25/19/51/135251951.db2.gz JBNYFUXCLHTDOX-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000261779635 135252224 /nfs/dbraw/zinc/25/22/24/135252224.db2.gz BDCLKLDGGMKJDY-VOMCLLRMSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000261830885 135256451 /nfs/dbraw/zinc/25/64/51/135256451.db2.gz NDMSVVJZWIYGER-DCAQKATOSA-N 2 0 227.352 0.665 20 0 BCADRP C[C@@H]([NH3+])CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261849003 135256692 /nfs/dbraw/zinc/25/66/92/135256692.db2.gz VDULHKXTIPYLNP-KGYLQXTDSA-N 2 0 219.332 0.760 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])[C@H](C)[NH3+] ZINC000261838453 135256712 /nfs/dbraw/zinc/25/67/12/135256712.db2.gz PKFVEAXFMWPROP-ZNSHCXBVSA-N 2 0 227.352 0.556 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000261882549 135259655 /nfs/dbraw/zinc/25/96/55/135259655.db2.gz RXUCZJRICWACDQ-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261886394 135259930 /nfs/dbraw/zinc/25/99/30/135259930.db2.gz VESZVSLLLWNAMI-RYUDHWBXSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C[C@H](C)[NH3+] ZINC000261898657 135260666 /nfs/dbraw/zinc/26/06/66/135260666.db2.gz UVENNRBTZBHIBE-SDDRHHMPSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H]1C ZINC000261890818 135260963 /nfs/dbraw/zinc/26/09/63/135260963.db2.gz VDNATQLNZIQSBR-WISYIIOYSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261901246 135261567 /nfs/dbraw/zinc/26/15/67/135261567.db2.gz WIOATEMRWRQWOT-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261909731 135261719 /nfs/dbraw/zinc/26/17/19/135261719.db2.gz GKRUBNJKGRRDBJ-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)[NH3+])C1 ZINC000261903344 135261737 /nfs/dbraw/zinc/26/17/37/135261737.db2.gz VIGAFRBUFCEZGI-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)[NH3+])C1 ZINC000261903339 135261886 /nfs/dbraw/zinc/26/18/86/135261886.db2.gz VIGAFRBUFCEZGI-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261901244 135262043 /nfs/dbraw/zinc/26/20/43/135262043.db2.gz WIOATEMRWRQWOT-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000261923078 135263210 /nfs/dbraw/zinc/26/32/10/135263210.db2.gz IUYHBGQZXGIHAT-SCVCMEIPSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000261933119 135264242 /nfs/dbraw/zinc/26/42/42/135264242.db2.gz ZDXMPJOSQUAGRK-JTQLQIEISA-N 2 0 239.363 0.714 20 0 BCADRP CCOCCOCC[N@H+](C)CC1CC[NH2+]CC1 ZINC000261943949 135265241 /nfs/dbraw/zinc/26/52/41/135265241.db2.gz NCUSUXFDJGXQLZ-UHFFFAOYSA-N 2 0 244.379 0.971 20 0 BCADRP C[C@]1(C[N@@H+]2CCSC[C@@H]2CCO)CC[NH2+]C1 ZINC000261986607 135269369 /nfs/dbraw/zinc/26/93/69/135269369.db2.gz JTNDUOPDFVIFNV-RYUDHWBXSA-N 2 0 244.404 0.786 20 0 BCADRP C[C@@]1(C[NH+]2CCC(OCCO)CC2)CC[NH2+]C1 ZINC000262017677 135273162 /nfs/dbraw/zinc/27/31/62/135273162.db2.gz MXBBLVZZODQWCQ-CYBMUJFWSA-N 2 0 242.363 0.459 20 0 BCADRP C[C@@]1(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)CC[NH2+]C1 ZINC000262075432 135277538 /nfs/dbraw/zinc/27/75/38/135277538.db2.gz SODZOHCUBWVQPD-WCQYABFASA-N 2 0 239.363 0.573 20 0 BCADRP [NH3+]CCOCCN1CC[NH+](C2CCC2)CC1 ZINC000262116387 135279671 /nfs/dbraw/zinc/27/96/71/135279671.db2.gz BMLOFEAJZNZFHR-UHFFFAOYSA-N 2 0 227.352 0.132 20 0 BCADRP C[C@@H]1C[C@@H](N(C)C(=O)C2C[NH2+]C2)CC[N@@H+]1C ZINC000262266000 135288624 /nfs/dbraw/zinc/28/86/24/135288624.db2.gz SAZXZARKUQTRNP-KOLCDFICSA-N 2 0 225.336 0.147 20 0 BCADRP C[C@@H]1C[C@H](N(C)C(=O)C2C[NH2+]C2)CC[N@@H+]1C ZINC000262266001 135288947 /nfs/dbraw/zinc/28/89/47/135288947.db2.gz SAZXZARKUQTRNP-MWLCHTKSSA-N 2 0 225.336 0.147 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000262324750 135292757 /nfs/dbraw/zinc/29/27/57/135292757.db2.gz FWAIVMWWGMKDCD-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262321668 135293105 /nfs/dbraw/zinc/29/31/05/135293105.db2.gz FGSYRPWUKLAPDE-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](C)C[NH3+] ZINC000262322738 135293282 /nfs/dbraw/zinc/29/32/82/135293282.db2.gz FKAISXKLTYXEDR-GRYCIOLGSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000262338327 135294043 /nfs/dbraw/zinc/29/40/43/135294043.db2.gz HOMLMPPIGYMTLL-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)NCC[NH+](C)C)CC[N@@H+]1C ZINC000342637659 135299355 /nfs/dbraw/zinc/29/93/55/135299355.db2.gz BQOJZUOKZTZBHW-MNOVXSKESA-N 2 0 242.367 0.330 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000262459478 135300306 /nfs/dbraw/zinc/30/03/06/135300306.db2.gz JCDBPMFLODLLBI-UKKRHICBSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000262472442 135301153 /nfs/dbraw/zinc/30/11/53/135301153.db2.gz YMGYKEKPEVPXAS-PSASIEDQSA-N 2 0 213.325 0.038 20 0 BCADRP [NH3+][C@H](C(=O)NCC1([NH3+])CCC1)c1ccccc1 ZINC000342600837 135301833 /nfs/dbraw/zinc/30/18/33/135301833.db2.gz XFXNNQMCHLGQRE-NSHDSACASA-N 2 0 233.315 0.684 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000262543955 135305414 /nfs/dbraw/zinc/30/54/14/135305414.db2.gz YNCVCFFLPPRNBW-GHMZBOCLSA-N 2 0 227.352 0.441 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000262582702 135307152 /nfs/dbraw/zinc/30/71/52/135307152.db2.gz QMJSPNDDDIDYFR-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000262585314 135307206 /nfs/dbraw/zinc/30/72/06/135307206.db2.gz UNAUWSQHETZEQT-VXGBXAGGSA-N 2 0 241.379 0.641 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC(C)C ZINC000262596521 135307988 /nfs/dbraw/zinc/30/79/88/135307988.db2.gz KZWFCRYUTXMTPR-QWRGUYRKSA-N 2 0 229.368 0.994 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000262611958 135308902 /nfs/dbraw/zinc/30/89/02/135308902.db2.gz FBHBDHOBOYIPFV-MMWGEVLESA-N 2 0 227.352 0.603 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000262610488 135309043 /nfs/dbraw/zinc/30/90/43/135309043.db2.gz DOGCZEZXTZFQLK-IRUJWGPZSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000342750103 135310812 /nfs/dbraw/zinc/31/08/12/135310812.db2.gz KZMQOZGMBASDDG-WHOHXGKFSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)C[C@H](C)[NH2+]1 ZINC000342751264 135311058 /nfs/dbraw/zinc/31/10/58/135311058.db2.gz NNYDTAWPWJKOGC-WHOHXGKFSA-N 2 0 239.363 0.583 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000342750252 135311445 /nfs/dbraw/zinc/31/14/45/135311445.db2.gz MBVXHWPTXCKBHD-DCAQKATOSA-N 2 0 227.352 0.346 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1CC[NH2+]C1 ZINC000342721117 135314357 /nfs/dbraw/zinc/31/43/57/135314357.db2.gz SPPSKXSWYLMGPP-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000262715797 135315312 /nfs/dbraw/zinc/31/53/12/135315312.db2.gz DMZRHXNASMFXSX-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)C[NH2+]CC2CC2)[C@@H]1C ZINC000262779801 135318248 /nfs/dbraw/zinc/31/82/48/135318248.db2.gz LGUZXGMRDYXBRR-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000262902612 135323451 /nfs/dbraw/zinc/32/34/51/135323451.db2.gz DSORFYSMCVXKQP-CKYFFXLPSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@]([NH3+])(C(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000262918965 135324026 /nfs/dbraw/zinc/32/40/26/135324026.db2.gz RPGWAKPQDNEXFO-GXTWGEPZSA-N 2 0 247.342 0.714 20 0 BCADRP C[C@H](C(N)=O)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000079492115 135327190 /nfs/dbraw/zinc/32/71/90/135327190.db2.gz VCMNWANZVICRFM-SNVBAGLBSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000263098461 135332561 /nfs/dbraw/zinc/33/25/61/135332561.db2.gz ZCZBUHDNPPXZER-GMXVVIOVSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000263094687 135332587 /nfs/dbraw/zinc/33/25/87/135332587.db2.gz YVFPDXNLNZQEHC-JQWIXIFHSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000263102403 135332804 /nfs/dbraw/zinc/33/28/04/135332804.db2.gz ZMWPRGSHIKGNAY-SCVCMEIPSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000263197144 135338332 /nfs/dbraw/zinc/33/83/32/135338332.db2.gz IOZMSOZQJQRIOR-MDZLAQPJSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC000263241486 135341760 /nfs/dbraw/zinc/34/17/60/135341760.db2.gz LLMXSQJMYSSUSN-UHFFFAOYSA-N 2 0 213.325 0.006 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000263296630 135344874 /nfs/dbraw/zinc/34/48/74/135344874.db2.gz WKWCSQOZGLKMME-LOWVWBTDSA-N 2 0 239.363 0.844 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1C[NH2+]C1 ZINC000263293774 135345191 /nfs/dbraw/zinc/34/51/91/135345191.db2.gz MAJMXLGDRTYKQN-NEPJUHHUSA-N 2 0 237.347 0.291 20 0 BCADRP [NH3+]CCC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334377408 135378170 /nfs/dbraw/zinc/37/81/70/135378170.db2.gz GBRBEAQQDMTACP-LLVKDONJSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000334382205 135380724 /nfs/dbraw/zinc/38/07/24/135380724.db2.gz KEVRNNDMAMCTIM-NSHDSACASA-N 2 0 239.363 0.845 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000334388926 135384388 /nfs/dbraw/zinc/38/43/88/135384388.db2.gz RFQHXEOXUIIIQG-VIFPVBQESA-N 2 0 227.352 0.557 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000334410779 135392367 /nfs/dbraw/zinc/39/23/67/135392367.db2.gz MVSUEZJYNOCLQO-PWSUYJOCSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]CCC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000083907648 135460410 /nfs/dbraw/zinc/46/04/10/135460410.db2.gz CVZAFPAMXXFEJL-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CCC[NH2+]1 ZINC000343790706 135693854 /nfs/dbraw/zinc/69/38/54/135693854.db2.gz WKHLBSLAYJHFPY-GMXVVIOVSA-N 2 0 239.363 0.714 20 0 BCADRP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335251170 135984187 /nfs/dbraw/zinc/98/41/87/135984187.db2.gz AJKZROQNAGVMED-OKILXGFUSA-N 3 0 237.391 0.917 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335288040 135996990 /nfs/dbraw/zinc/99/69/90/135996990.db2.gz JXCNWIDZHMQHPD-SECBINFHSA-N 2 0 228.340 0.117 20 0 BCADRP CN1CCN(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000335301371 136020493 /nfs/dbraw/zinc/02/04/93/136020493.db2.gz OFSVXGCYZNBDSG-WDEREUQCSA-N 2 0 240.351 0.071 20 0 BCADRP C[C@H]([NH3+])CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000335308988 136028242 /nfs/dbraw/zinc/02/82/42/136028242.db2.gz RXHOMTNLHPLAMM-CMPLNLGQSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C1([NH3+])CCCC1 ZINC000335327683 136052519 /nfs/dbraw/zinc/05/25/19/136052519.db2.gz JRPDIKWXGBPFNA-ZJUUUORDSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](C)[NH3+] ZINC000335346678 136066574 /nfs/dbraw/zinc/06/65/74/136066574.db2.gz UECSLNILOMBOTN-VHSXEESVSA-N 2 0 227.352 0.522 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000335347378 136067053 /nfs/dbraw/zinc/06/70/53/136067053.db2.gz YVNFYEFTUSIFGL-NXEZZACHSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000335347057 136067127 /nfs/dbraw/zinc/06/71/27/136067127.db2.gz QYVCVBGXKPVPEM-ZJUUUORDSA-N 2 0 225.336 0.502 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000335350332 136068148 /nfs/dbraw/zinc/06/81/48/136068148.db2.gz USJIUVVYXIGDQO-LBPRGKRZSA-N 2 0 248.330 0.388 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)NCC(C)(C)[NH3+])C1 ZINC000335354879 136071085 /nfs/dbraw/zinc/07/10/85/136071085.db2.gz BYRPNTGKPXFQCN-SNVBAGLBSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC(C)(C)[NH3+] ZINC000335358559 136075078 /nfs/dbraw/zinc/07/50/78/136075078.db2.gz LUAKFZFGUAKVTJ-UWVGGRQHSA-N 2 0 242.367 0.635 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCC(C)(C)[NH3+] ZINC000335361647 136080820 /nfs/dbraw/zinc/08/08/20/136080820.db2.gz UCDWFLLPGSWDLW-DTWKUNHWSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@@H]1CCN(C(=O)NCC(C)(C)[NH3+])[C@@H](C[NH3+])C1 ZINC000335361805 136081174 /nfs/dbraw/zinc/08/11/74/136081174.db2.gz WXZDSNJFMGZEQI-NXEZZACHSA-N 2 0 242.367 0.493 20 0 BCADRP CN(CC[NH3+])C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000335402052 136087411 /nfs/dbraw/zinc/08/74/11/136087411.db2.gz YMHCDYBZDCRAAR-GFCCVEGCSA-N 2 0 233.315 0.291 20 0 BCADRP O=C(NC1CC[NH2+]CC1)c1ccc2c[nH+]cn2c1 ZINC000335380486 136087551 /nfs/dbraw/zinc/08/75/51/136087551.db2.gz LWNDAYWAIBFQSJ-UHFFFAOYSA-N 2 0 244.298 0.816 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000335387817 136089776 /nfs/dbraw/zinc/08/97/76/136089776.db2.gz UKMCQWXKOCPQGW-ZYHUDNBSSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]CCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000335394208 136091606 /nfs/dbraw/zinc/09/16/06/136091606.db2.gz DQCCJPCJTIMHOI-MNOVXSKESA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[NH2+]1 ZINC000335394071 136091834 /nfs/dbraw/zinc/09/18/34/136091834.db2.gz DKTZVQYOJPFBJY-JTQLQIEISA-N 2 0 244.298 0.768 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C[NH3+])CC1 ZINC000335393390 136091899 /nfs/dbraw/zinc/09/18/99/136091899.db2.gz CGQKJJLTVDFMBL-LLVKDONJSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000335395184 136092279 /nfs/dbraw/zinc/09/22/79/136092279.db2.gz KBRGDUWNGHIQRU-WDEREUQCSA-N 2 0 237.278 0.038 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C1CC[NH2+]CC1 ZINC000335398235 136093375 /nfs/dbraw/zinc/09/33/75/136093375.db2.gz HVFQRDMIBFEIPQ-MWLCHTKSSA-N 2 0 225.336 0.052 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000335400000 136093863 /nfs/dbraw/zinc/09/38/63/136093863.db2.gz PIBQQROELUNKGO-VXGBXAGGSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000335399193 136093916 /nfs/dbraw/zinc/09/39/16/136093916.db2.gz MVILJSDUSZDTMH-DGCLKSJQSA-N 2 0 245.326 0.352 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000335554048 136098688 /nfs/dbraw/zinc/09/86/88/136098688.db2.gz AGXRNHOPAMAFPI-MWLCHTKSSA-N 2 0 237.347 0.195 20 0 BCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)C[NH3+] ZINC000335562678 136106594 /nfs/dbraw/zinc/10/65/94/136106594.db2.gz KNFHWIPQDVFQMY-GHMZBOCLSA-N 2 0 227.352 0.380 20 0 BCADRP CC1(C)CN(C(=O)[C@H]([NH3+])CC(F)F)CC[NH2+]1 ZINC000335599285 136113944 /nfs/dbraw/zinc/11/39/44/136113944.db2.gz SXPCTNVSUJQOGT-SSDOTTSWSA-N 2 0 235.278 0.179 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000257708814 397826680 /nfs/dbraw/zinc/82/66/80/397826680.db2.gz QFIMTYAEKMKSFF-QJPTWQEYSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC(C)(C)CCC[NH3+] ZINC000382391670 397884800 /nfs/dbraw/zinc/88/48/00/397884800.db2.gz MKWSLAMSOWGQDL-QMMMGPOBSA-N 2 0 201.314 0.357 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@H](C[NH3+])C1CC1 ZINC000390211351 397883416 /nfs/dbraw/zinc/88/34/16/397883416.db2.gz VKKARADYTYTSND-SECBINFHSA-N 2 0 213.325 0.357 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccn(C)n1 ZINC000629531271 397936563 /nfs/dbraw/zinc/93/65/63/397936563.db2.gz GIRNSSZHVARPBM-JTQLQIEISA-N 2 0 226.324 0.307 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449554643 397955267 /nfs/dbraw/zinc/95/52/67/397955267.db2.gz OTIJGAFIPHJZRZ-HMUNZLOLSA-N 2 0 237.347 0.228 20 0 BCADRP C[NH+](C)C/C=C/C(=O)NCC[N@H+](C)C1CC1 ZINC000264670065 397922021 /nfs/dbraw/zinc/92/20/21/397922021.db2.gz YDWRCUQPQINQEW-SNAWJCMRSA-N 2 0 225.336 0.315 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CCC(C)(C)[NH3+])CC[NH2+]1 ZINC000648128523 397924200 /nfs/dbraw/zinc/92/42/00/397924200.db2.gz WYYMKWBJZKYCDZ-NXEZZACHSA-N 2 0 227.352 0.761 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000418202186 397992091 /nfs/dbraw/zinc/99/20/91/397992091.db2.gz IQXFQWRIVDZFDN-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP CC[N@H+](CCC[NH2+]C)C[C@H]1CCOC1 ZINC000389910197 397997903 /nfs/dbraw/zinc/99/79/03/397997903.db2.gz ITQVCVBRRLLSKH-LLVKDONJSA-N 2 0 200.326 0.954 20 0 BCADRP CC[C@@]1(C(=O)N2CCC(C)([NH3+])CC2)CCC[NH2+]1 ZINC000648121302 398004195 /nfs/dbraw/zinc/00/41/95/398004195.db2.gz ATMUTKRQCZTGOX-ZDUSSCGKSA-N 2 0 239.363 0.858 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953195 398010552 /nfs/dbraw/zinc/01/05/52/398010552.db2.gz HXUDMWLNGLACRR-NSHDSACASA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000375438022 398023426 /nfs/dbraw/zinc/02/34/26/398023426.db2.gz PQERXPHAHPYBKK-UWVGGRQHSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]([NH3+])C(=O)NCCC1CC[NH+](C)CC1 ZINC000083911658 398036705 /nfs/dbraw/zinc/03/67/05/398036705.db2.gz JGULSFBKHUQREA-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP C[C@]1(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC[NH2+]C1 ZINC000564726161 398039617 /nfs/dbraw/zinc/03/96/17/398039617.db2.gz HVXDLYRWITXMFU-LOWVWBTDSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+][C@H](C)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000582676817 398041671 /nfs/dbraw/zinc/04/16/71/398041671.db2.gz KQISDXXEQWBGHC-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP CC(C)(C)C[N@H+](CCCO)CCOCC[NH3+] ZINC000357086423 397978943 /nfs/dbraw/zinc/97/89/43/397978943.db2.gz LUELGUPBOLGANC-UHFFFAOYSA-N 2 0 232.368 0.692 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@H](CO)C1 ZINC000398807690 398062948 /nfs/dbraw/zinc/06/29/48/398062948.db2.gz OKVXHEDPJLENCE-AVGNSLFASA-N 2 0 244.379 0.249 20 0 BCADRP COC[C@H]1C[C@@H](O)C[N@@H+]1CCc1cncn1C ZINC000649764814 398092707 /nfs/dbraw/zinc/09/27/07/398092707.db2.gz QKOFTKPFTHNLSI-VXGBXAGGSA-N 2 0 239.319 0.044 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000384071700 398064849 /nfs/dbraw/zinc/06/48/49/398064849.db2.gz VKNDFBBUWWRYIL-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP C1[C@H](c2nc([C@@H]3CCC[NH2+]3)no2)[C@@]12CC[NH2+]C2 ZINC000647148334 398093200 /nfs/dbraw/zinc/09/32/00/398093200.db2.gz LXAGLDFGQIESTQ-PTRXPTGYSA-N 2 0 234.303 0.961 20 0 BCADRP CC[N@H+](CCNC(=O)/C=C/C[NH+](C)C)C(C)C ZINC000491853676 398075543 /nfs/dbraw/zinc/07/55/43/398075543.db2.gz VVZUAUCIUAQZTK-BQYQJAHWSA-N 2 0 241.379 0.951 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)/C=C\C[NH+](C)C)CC[N@@H+]1C ZINC000491904977 398076883 /nfs/dbraw/zinc/07/68/83/398076883.db2.gz NAZOTLITDZQCFA-GKKDLHFNSA-N 2 0 239.363 0.703 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)[NH+](C)C ZINC000638244249 398080701 /nfs/dbraw/zinc/08/07/01/398080701.db2.gz HMYHODJGZSEVLX-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NC[C@@H]2CCC[NH2+]2)o1 ZINC000646683329 398082802 /nfs/dbraw/zinc/08/28/02/398082802.db2.gz GVIFGLAJLNACFM-QMMMGPOBSA-N 2 0 223.276 0.220 20 0 BCADRP COC[C@H]1C[C@@H](O)C[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000649764065 398091368 /nfs/dbraw/zinc/09/13/68/398091368.db2.gz OWGQKZXPQYEZCO-YNEHKIRRSA-N 2 0 242.363 0.552 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C[NH2+]C1CC1 ZINC000638490002 398100980 /nfs/dbraw/zinc/10/09/80/398100980.db2.gz SLKVSKOKDJLEHI-NSHDSACASA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000309294898 398119016 /nfs/dbraw/zinc/11/90/16/398119016.db2.gz WYKHOPFGQNAUQQ-GXSJLCMTSA-N 2 0 225.336 0.276 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)C(C)(C)[NH3+] ZINC000083357038 398109753 /nfs/dbraw/zinc/10/97/53/398109753.db2.gz YODNJZAGXQDMLJ-UHFFFAOYSA-N 2 0 229.368 0.962 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000062010153 398110306 /nfs/dbraw/zinc/11/03/06/398110306.db2.gz CDDXQXXSFLLQPL-JTQLQIEISA-N 2 0 245.392 0.277 20 0 BCADRP CCN1CC[C@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000389524915 398110367 /nfs/dbraw/zinc/11/03/67/398110367.db2.gz HPBWBZGOUYEZKC-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]([NH3+])CCC(C)C ZINC000638512257 398111560 /nfs/dbraw/zinc/11/15/60/398111560.db2.gz HVTFWLQIAXNDPJ-SNVBAGLBSA-N 2 0 215.341 0.557 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000019474250 398130577 /nfs/dbraw/zinc/13/05/77/398130577.db2.gz JIYVUENINBJGSG-SNVBAGLBSA-N 2 0 229.368 0.674 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000638567731 398131502 /nfs/dbraw/zinc/13/15/02/398131502.db2.gz QQSJREMALMUZKA-YNEHKIRRSA-N 2 0 247.342 0.943 20 0 BCADRP CC(C)C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000052379221 167004493 /nfs/dbraw/zinc/00/44/93/167004493.db2.gz UHZDKPBWGIVFRS-GFCCVEGCSA-N 2 0 213.369 0.868 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000257362767 322872872 /nfs/dbraw/zinc/87/28/72/322872872.db2.gz JHLMIUIGKMKTRJ-SDDRHHMPSA-N 2 0 237.347 0.420 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000040768297 167096861 /nfs/dbraw/zinc/09/68/61/167096861.db2.gz QNZCHWNPRJBXKO-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[NH+](C(C)C)CC1 ZINC000037618342 167100190 /nfs/dbraw/zinc/10/01/90/167100190.db2.gz NUDAGNRHUIJZCQ-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[N@H+](C)CC1 ZINC000037480122 167099671 /nfs/dbraw/zinc/09/96/71/167099671.db2.gz NSURADWMKUPITA-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP COCCOCCN1CCC[C@@H]([NH3+])C1 ZINC000070028336 174353935 /nfs/dbraw/zinc/35/39/35/174353935.db2.gz WZBUWKHZICSMFU-SNVBAGLBSA-N 2 0 202.298 0.073 20 0 BCADRP COc1ccc([C@@H](C[NH3+])CN2CC[NH2+]CC2)cc1 ZINC000258437267 322875112 /nfs/dbraw/zinc/87/51/12/322875112.db2.gz WUYOVNQINKOONH-ZDUSSCGKSA-N 2 0 249.358 0.643 20 0 BCADRP [NH3+]C[C@@H](NC[C@@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000662276153 487529306 /nfs/dbraw/zinc/52/93/06/487529306.db2.gz FXCNYIUMQMSNCG-QWHCGFSZSA-N 2 0 241.379 0.472 20 0 BCADRP [NH3+]C[C@H](NC[C@@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000662276154 487529445 /nfs/dbraw/zinc/52/94/45/487529445.db2.gz FXCNYIUMQMSNCG-STQMWFEESA-N 2 0 241.379 0.472 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000037609837 487560207 /nfs/dbraw/zinc/56/02/07/487560207.db2.gz PAZIFDCNUBBRAR-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000037610301 487560832 /nfs/dbraw/zinc/56/08/32/487560832.db2.gz VYZCYFHVRZNLRA-UHFFFAOYSA-N 2 0 241.379 0.973 20 0 BCADRP CN(C)CC(=O)Nc1cc(N(C)C)ccn1 ZINC000680325224 487561651 /nfs/dbraw/zinc/56/16/51/487561651.db2.gz WLKCAJDJVKKJTI-UHFFFAOYSA-N 2 0 222.292 0.648 20 0 BCADRP C[C@H]([NH3+])CNC(=O)NCCC[NH+]1CCCCC1 ZINC000668803244 487567990 /nfs/dbraw/zinc/56/79/90/487567990.db2.gz JGPLLGQPJSPXBC-NSHDSACASA-N 2 0 242.367 0.509 20 0 BCADRP C[N@@H+]1CCCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000086853121 487569965 /nfs/dbraw/zinc/56/99/65/487569965.db2.gz GFPQOIYXVNKUQC-UHFFFAOYSA-N 2 0 225.336 0.422 20 0 BCADRP CC(C)OCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308895829 167217276 /nfs/dbraw/zinc/21/72/76/167217276.db2.gz ZHWBIUXUBRWPAG-TXEJJXNPSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@H]1CN(C(=O)CC(C)(C)[NH3+])[C@@H](C)C[NH2+]1 ZINC000393768867 487580036 /nfs/dbraw/zinc/58/00/36/487580036.db2.gz DJEIIWQQMMDNBJ-IUCAKERBSA-N 2 0 213.325 0.323 20 0 BCADRP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CN(C)CCN1C ZINC000337346117 167255162 /nfs/dbraw/zinc/25/51/62/167255162.db2.gz VUYIEMPJUIZNOB-CHWSQXEVSA-N 2 0 243.395 0.635 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000565537393 322915687 /nfs/dbraw/zinc/91/56/87/322915687.db2.gz FHROOZVRANTPSR-LLVKDONJSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+]CC1CCN(C(=O)C[NH2+]C(C)C)CC1 ZINC000662414143 487603150 /nfs/dbraw/zinc/60/31/50/487603150.db2.gz OESUXTLKCPMSJC-UHFFFAOYSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+]Cc1cn[nH]c1 ZINC000680483115 487605417 /nfs/dbraw/zinc/60/54/17/487605417.db2.gz FLTNUKPMWWOXFX-UHFFFAOYSA-N 2 0 240.351 0.858 20 0 BCADRP c1cc(CN[C@@H]2CC[NH2+]C2)c2c(c1)C[NH2+]CC2 ZINC000662263670 409560170 /nfs/dbraw/zinc/56/01/70/409560170.db2.gz CVWFGJZZKSPRKX-CYBMUJFWSA-N 2 0 231.343 0.784 20 0 BCADRP COC[C@@H](C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)OC ZINC000662266259 409563692 /nfs/dbraw/zinc/56/36/92/409563692.db2.gz LAFZUYMLVBAFOA-NEPJUHHUSA-N 2 0 228.336 0.333 20 0 BCADRP Cc1cc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)ncn1 ZINC000662243206 409535670 /nfs/dbraw/zinc/53/56/70/409535670.db2.gz GQYLULQXQOTHBN-JOYOIKCWSA-N 2 0 220.320 0.954 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)CC1CC=CC1 ZINC000662247563 409546543 /nfs/dbraw/zinc/54/65/43/409546543.db2.gz XSFWZOALCWEIKM-UHFFFAOYSA-N 2 0 223.364 0.790 20 0 BCADRP CN(C)C(=O)N(C)[C@H]1CC[N@H+](CCC[NH3+])C1 ZINC000662317751 409636304 /nfs/dbraw/zinc/63/63/04/409636304.db2.gz RRUMSSJTRYSIEW-JTQLQIEISA-N 2 0 228.340 0.023 20 0 BCADRP COC[C@H](C[N@@H+]1CCCC[C@H]1CC[NH3+])OC ZINC000662272858 409578563 /nfs/dbraw/zinc/57/85/63/409578563.db2.gz JLVUFVMEWAWHHN-RYUDHWBXSA-N 2 0 230.352 0.851 20 0 BCADRP COC[C@H](C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C)OC ZINC000662283078 409606393 /nfs/dbraw/zinc/60/63/93/409606393.db2.gz KJJLTYBDXCKJIM-RNJOBUHISA-N 2 0 244.379 0.953 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662393428 409695161 /nfs/dbraw/zinc/69/51/61/409695161.db2.gz GCVREQHLEUKCKH-SNVBAGLBSA-N 2 0 231.299 0.463 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000662404218 409699196 /nfs/dbraw/zinc/69/91/96/409699196.db2.gz MDWQRLXIZQVHHJ-ZJUUUORDSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]1CN(C(=O)C2([NH2+]C3CC3)CCC2)CC[NH2+]1 ZINC000662416787 409704531 /nfs/dbraw/zinc/70/45/31/409704531.db2.gz BFJIIQGYWZQAFV-JTQLQIEISA-N 2 0 237.347 0.481 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000662421532 409705186 /nfs/dbraw/zinc/70/51/86/409705186.db2.gz FGTMOLGAUNKKHC-IVZWLZJFSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1CN(C(=O)c2cccc3c2C[NH2+]C3)CC[NH2+]1 ZINC000662417454 409706212 /nfs/dbraw/zinc/70/62/12/409706212.db2.gz HOWDKPLWGZNDHK-SNVBAGLBSA-N 2 0 245.326 0.724 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@@H]([NH3+])C(C)C ZINC000662423594 409709606 /nfs/dbraw/zinc/70/96/06/409709606.db2.gz NTWKLLNHEWYFOX-SECBINFHSA-N 2 0 201.314 0.084 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000662549995 409752120 /nfs/dbraw/zinc/75/21/20/409752120.db2.gz WUONYQNYCHSQFM-GUBZILKMSA-N 2 0 213.325 0.180 20 0 BCADRP [NH3+][C@H](CNC(=O)c1cccc2c1C[NH2+]C2)C1CC1 ZINC000662550964 409752642 /nfs/dbraw/zinc/75/26/42/409752642.db2.gz MQDBDJJBBCWXOP-CYBMUJFWSA-N 2 0 245.326 0.757 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000662564109 409759810 /nfs/dbraw/zinc/75/98/10/409759810.db2.gz YGCDBRPLNJMAQM-BBBLOLIVSA-N 2 0 213.325 0.241 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000662566480 409761680 /nfs/dbraw/zinc/76/16/80/409761680.db2.gz VEIQJHUKUJNUTQ-UWVGGRQHSA-N 2 0 225.336 0.243 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)CC1(C[NH3+])CC1 ZINC000662605457 409780045 /nfs/dbraw/zinc/78/00/45/409780045.db2.gz OKOWTHYOMHMECY-UHFFFAOYSA-N 2 0 213.325 0.311 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000662605788 409780065 /nfs/dbraw/zinc/78/00/65/409780065.db2.gz SFPSHYJFDPIHIA-LBPRGKRZSA-N 2 0 249.358 0.925 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000662605785 409780302 /nfs/dbraw/zinc/78/03/02/409780302.db2.gz SFPSHYJFDPIHIA-GFCCVEGCSA-N 2 0 249.358 0.925 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)CC1([NH3+])CC1 ZINC000662433256 409713864 /nfs/dbraw/zinc/71/38/64/409713864.db2.gz ZEWDVDUFJOAFRU-SECBINFHSA-N 2 0 213.325 0.502 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653113075 409822298 /nfs/dbraw/zinc/82/22/98/409822298.db2.gz SDYKTOARVPSJIX-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653135753 409854746 /nfs/dbraw/zinc/85/47/46/409854746.db2.gz OSIRMDWUWFOSHU-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C)[NH3+])C1 ZINC000040624514 409825939 /nfs/dbraw/zinc/82/59/39/409825939.db2.gz NHLOCQSWZPDVNU-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000653125500 409836022 /nfs/dbraw/zinc/83/60/22/409836022.db2.gz ATTIWVJXZCLQJC-AXFHLTTASA-N 2 0 223.320 0.077 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653126872 409837074 /nfs/dbraw/zinc/83/70/74/409837074.db2.gz MRSDKYIHAPNYOC-NOOOWODRSA-N 2 0 239.363 0.700 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653127313 409838057 /nfs/dbraw/zinc/83/80/57/409838057.db2.gz IPJIKEOQSBDWJC-TUAOUCFPSA-N 2 0 237.347 0.385 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CCC1 ZINC000653129197 409842571 /nfs/dbraw/zinc/84/25/71/409842571.db2.gz ZBGBYVCJBAUVLP-WDEREUQCSA-N 2 0 237.347 0.515 20 0 BCADRP O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000653136760 409856882 /nfs/dbraw/zinc/85/68/82/409856882.db2.gz DKUCIULNYRMZBK-YVECIDJPSA-N 2 0 249.358 0.195 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC[NH2+]1 ZINC000653133763 409851990 /nfs/dbraw/zinc/85/19/90/409851990.db2.gz ZUXYMVPUSZNUTL-ZMLRMANQSA-N 2 0 237.347 0.337 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)c1ccc(C[NH3+])cc1 ZINC000662607939 409783438 /nfs/dbraw/zinc/78/34/38/409783438.db2.gz SYJWGENUKAFPOK-UHFFFAOYSA-N 2 0 235.331 0.955 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000662608408 409783742 /nfs/dbraw/zinc/78/37/42/409783742.db2.gz YIXCIBVCLZBTSM-NXEZZACHSA-N 2 0 227.352 0.700 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000662703905 409853849 /nfs/dbraw/zinc/85/38/49/409853849.db2.gz QBWIZFGYHUQASL-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H](CCNC(=O)CC[NH2+]C1CC1)[NH+](C)C ZINC000662636461 409807344 /nfs/dbraw/zinc/80/73/44/409807344.db2.gz YRUNTWIWFJUTLG-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+]C1(CNC(=O)C[C@@H]2CC[NH2+]C2)CCCC1 ZINC000662649775 409814373 /nfs/dbraw/zinc/81/43/73/409814373.db2.gz SERWXLWCMAQTOU-JTQLQIEISA-N 2 0 225.336 0.374 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000215297916 409908649 /nfs/dbraw/zinc/90/86/49/409908649.db2.gz UDJJRWIBLOXJGR-WCQYABFASA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662782354 409912474 /nfs/dbraw/zinc/91/24/74/409912474.db2.gz JCCRSXCLAWHECK-BDAKNGLRSA-N 2 0 225.336 0.500 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662793282 409925489 /nfs/dbraw/zinc/92/54/89/409925489.db2.gz JQMZWHNVNMDBMW-SRVKXCTJSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+]Cc1cc(C(=O)NCC23CC(C2)C[NH2+]3)co1 ZINC000662719013 409868691 /nfs/dbraw/zinc/86/86/91/409868691.db2.gz UVQVLJBTGKLXCS-UHFFFAOYSA-N 2 0 235.287 0.220 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662717711 409868763 /nfs/dbraw/zinc/86/87/63/409868763.db2.gz CNXKHGIOAJOJNB-ZRZGDYATSA-N 2 0 237.347 0.243 20 0 BCADRP O=C(CC1CC[NH2+]CC1)NCC12CC(C1)C[NH2+]2 ZINC000662718139 409869201 /nfs/dbraw/zinc/86/92/01/409869201.db2.gz GUBMXELVMSFKHD-UHFFFAOYSA-N 2 0 237.347 0.244 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])cc1 ZINC000662765911 409888392 /nfs/dbraw/zinc/88/83/92/409888392.db2.gz FWFAMCPVJGUFDU-RYUDHWBXSA-N 2 0 249.314 0.448 20 0 BCADRP C[C@@H](CCNC(=O)[C@@H]1[NH2+]CCC1(C)C)[NH+](C)C ZINC000662860183 409957797 /nfs/dbraw/zinc/95/77/97/409957797.db2.gz RENWZXPHHKBZCU-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)C1CCCC1 ZINC000662813210 409932280 /nfs/dbraw/zinc/93/22/80/409932280.db2.gz LMGYDWLBOHNZHV-GMTAPVOTSA-N 2 0 225.336 0.357 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@@H](C)[NH3+] ZINC000308918083 409936381 /nfs/dbraw/zinc/93/63/81/409936381.db2.gz BPXGSAGWUZCFJS-BDAKNGLRSA-N 2 0 201.314 0.213 20 0 BCADRP C[NH2+]CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662839039 409946414 /nfs/dbraw/zinc/94/64/14/409946414.db2.gz OUTFAHLIQAWXCU-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)c1c[nH+]ccc1N ZINC000662845181 409949588 /nfs/dbraw/zinc/94/95/88/409949588.db2.gz MMPJQUQHLWJXCE-UHFFFAOYSA-N 2 0 222.292 0.303 20 0 BCADRP C[C@]1(NC(=O)[C@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000663015732 410034608 /nfs/dbraw/zinc/03/46/08/410034608.db2.gz XQZUBQBOYOJFFC-JQWIXIFHSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000662969195 409998064 /nfs/dbraw/zinc/99/80/64/409998064.db2.gz YLVJPSCLUGVIFM-LPEHRKFASA-N 2 0 213.325 0.099 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662968870 409999031 /nfs/dbraw/zinc/99/90/31/409999031.db2.gz KUMRKSPFPPRDJV-GXFFZTMASA-N 2 0 247.342 0.945 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653162946 410106637 /nfs/dbraw/zinc/10/66/37/410106637.db2.gz WBLWNYKYGOCKNQ-VGDYDELISA-N 2 0 237.347 0.465 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000653176031 410152184 /nfs/dbraw/zinc/15/21/84/410152184.db2.gz ILPYLMMUWYSFLE-TXEJJXNPSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653166568 410132434 /nfs/dbraw/zinc/13/24/34/410132434.db2.gz NIJRIFRRAFPTHG-VPOLOUISSA-N 2 0 227.352 0.746 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653167023 410133770 /nfs/dbraw/zinc/13/37/70/410133770.db2.gz FQPKOXZCKYLDAQ-DCAQKATOSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCC[NH2+]C1CC1 ZINC000653168175 410135210 /nfs/dbraw/zinc/13/52/10/410135210.db2.gz RPEWACRSUPFHSD-CMPLNLGQSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)COCC[NH3+] ZINC000653175867 410152693 /nfs/dbraw/zinc/15/26/93/410152693.db2.gz DPYTXJAQEMUDID-UHFFFAOYSA-N 2 0 245.367 0.056 20 0 BCADRP C[NH2+]CCC(=O)NCCC[N@H+](C)CC(C)C ZINC000653176080 410152889 /nfs/dbraw/zinc/15/28/89/410152889.db2.gz JVZLPTBNEQKVAO-UHFFFAOYSA-N 2 0 229.368 0.690 20 0 BCADRP O=C(NC1CC[NH2+]CC1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655411174 410213857 /nfs/dbraw/zinc/21/38/57/410213857.db2.gz PWOPCUKYXYSZPB-DGCLKSJQSA-N 2 0 237.347 0.244 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000655412779 410215864 /nfs/dbraw/zinc/21/58/64/410215864.db2.gz ZMGKCDUUADYQLD-VIFPVBQESA-N 2 0 225.336 0.337 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC000653193836 410159981 /nfs/dbraw/zinc/15/99/81/410159981.db2.gz JJDLSSPNNHBPSJ-ROEYZRMQSA-N 2 0 249.358 0.039 20 0 BCADRP CC(C)([NH3+])CC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653198327 410160025 /nfs/dbraw/zinc/16/00/25/410160025.db2.gz SRHXBNLNCIZRJJ-GWCFXTLKSA-N 2 0 239.363 0.701 20 0 BCADRP CC(C)([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653197961 410160292 /nfs/dbraw/zinc/16/02/92/410160292.db2.gz BRMHAEAUHTYABS-CABZTGNLSA-N 2 0 225.336 0.311 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653194035 410160652 /nfs/dbraw/zinc/16/06/52/410160652.db2.gz RVBWBVWLQHDFBJ-NOHGZBONSA-N 2 0 239.363 0.557 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[NH2+]1)C2 ZINC000653198127 410160672 /nfs/dbraw/zinc/16/06/72/410160672.db2.gz KENAWDDSXLLDFM-GVXVVHGQSA-N 2 0 237.347 0.326 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653193841 410160706 /nfs/dbraw/zinc/16/07/06/410160706.db2.gz JQRMCMGHPHBNMA-LOWVWBTDSA-N 2 0 239.363 0.557 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)[C@@H](C)[NH3+] ZINC000653210740 410166059 /nfs/dbraw/zinc/16/60/59/410166059.db2.gz GRKOYYPQLRWHSU-SECBINFHSA-N 2 0 221.304 0.369 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH3+])CC1 ZINC000653221066 410168926 /nfs/dbraw/zinc/16/89/26/410168926.db2.gz GEYHHDXUVQWXLA-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH3+])CC2)CC[N@@H+]1C ZINC000653222942 410171052 /nfs/dbraw/zinc/17/10/52/410171052.db2.gz WFYUTWFXEMSZJR-GHMZBOCLSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[C@H](C(=O)NCCC1(C[NH3+])CC1)[C@@H](C)[NH3+] ZINC000653222637 410171339 /nfs/dbraw/zinc/17/13/39/410171339.db2.gz JSWREXGFSGLTLB-MNOVXSKESA-N 2 0 241.379 0.851 20 0 BCADRP C[NH2+]CCC(=O)NCc1ccc(C[NH3+])cc1F ZINC000653223457 410171521 /nfs/dbraw/zinc/17/15/21/410171521.db2.gz OFRQMSVVILKKKI-UHFFFAOYSA-N 2 0 239.294 0.510 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653223467 410171672 /nfs/dbraw/zinc/17/16/72/410171672.db2.gz OMHNEPRKDCNHES-QMMMGPOBSA-N 2 0 239.294 0.495 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000653232800 410175084 /nfs/dbraw/zinc/17/50/84/410175084.db2.gz JWCVZVQRSFTVBU-GARJFASQSA-N 2 0 227.352 0.700 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000653233287 410175490 /nfs/dbraw/zinc/17/54/90/410175490.db2.gz UGINJSKXOOCHRY-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)C[C@H](C)[NH3+])CC1 ZINC000037476345 410177138 /nfs/dbraw/zinc/17/71/38/410177138.db2.gz XGFDAODXIPSZCI-JTQLQIEISA-N 2 0 227.352 0.666 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H]1CC[NH3+] ZINC000653243832 410183192 /nfs/dbraw/zinc/18/31/92/410183192.db2.gz OWQQGHVNZZFQCT-NNYUYHANSA-N 2 0 239.363 0.700 20 0 BCADRP CN(C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000655415445 410219331 /nfs/dbraw/zinc/21/93/31/410219331.db2.gz NRARZAXXOQLIIS-GMXVVIOVSA-N 2 0 237.347 0.196 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000308974823 410192174 /nfs/dbraw/zinc/19/21/74/410192174.db2.gz GHLLRDLYWAUOMW-BDAKNGLRSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC(CC[NH3+])CC1 ZINC000653257362 410240785 /nfs/dbraw/zinc/24/07/85/410240785.db2.gz RVFMYLLCNIHBER-SECBINFHSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)[NH+](C)C ZINC000655445984 410269653 /nfs/dbraw/zinc/26/96/53/410269653.db2.gz WJVSGEPOIIWKLR-MDZLAQPJSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655450475 410272283 /nfs/dbraw/zinc/27/22/83/410272283.db2.gz PRUDXTZYQCTKPH-CKYFFXLPSA-N 2 0 225.336 0.087 20 0 BCADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000663512626 410282687 /nfs/dbraw/zinc/28/26/87/410282687.db2.gz GVQQRLYRZZIEJZ-IRCOFANPSA-N 3 0 211.353 0.572 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655415283 410220453 /nfs/dbraw/zinc/22/04/53/410220453.db2.gz ACNSYCNMDBRVMJ-GVXVVHGQSA-N 2 0 237.347 0.244 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)C1 ZINC000655416481 410221590 /nfs/dbraw/zinc/22/15/90/410221590.db2.gz VWXZJKCHSSXFFZ-GMXVVIOVSA-N 2 0 237.347 0.183 20 0 BCADRP C[N@@H+](Cc1cccc2c1CCC2)C[C@@H](O)C[NH3+] ZINC000650704170 410334739 /nfs/dbraw/zinc/33/47/39/410334739.db2.gz LEYMWQPBOXRVPL-ZDUSSCGKSA-N 2 0 234.343 0.927 20 0 BCADRP [NH3+]CC1(CC[NH2+]CC2CC[NH2+]CC2)CC1 ZINC000650713122 410345797 /nfs/dbraw/zinc/34/57/97/410345797.db2.gz GRYIWUQMQUWJQX-UHFFFAOYSA-N 3 0 211.353 0.705 20 0 BCADRP Nc1ncc(C[NH2+]CCC2(C[NH3+])CC2)s1 ZINC000650714329 410347202 /nfs/dbraw/zinc/34/72/02/410347202.db2.gz YZVVULZXSRAPKT-UHFFFAOYSA-N 2 0 226.349 0.774 20 0 BCADRP CCO[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000650714458 410348058 /nfs/dbraw/zinc/34/80/58/410348058.db2.gz GJFMSKPNSDXSMO-JHJVBQTASA-N 2 0 241.379 0.282 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655453407 410297811 /nfs/dbraw/zinc/29/78/11/410297811.db2.gz JMRPYTIFPQTXMK-OCCSQVGLSA-N 2 0 249.358 0.412 20 0 BCADRP [NH3+]CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650724766 410361313 /nfs/dbraw/zinc/36/13/13/410361313.db2.gz LXBQOUJTADYHNN-UPJWGTAASA-N 3 0 241.379 0.696 20 0 BCADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000650747665 410386866 /nfs/dbraw/zinc/38/68/66/410386866.db2.gz FKVWAQCYYNSSAQ-MNOVXSKESA-N 3 0 211.353 0.846 20 0 BCADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000650747666 410387751 /nfs/dbraw/zinc/38/77/51/410387751.db2.gz FKVWAQCYYNSSAQ-QWRGUYRKSA-N 3 0 211.353 0.846 20 0 BCADRP Cn1cncc1CCC[N@@H+]1CC[C@@H](CO)C1 ZINC000314562880 410387966 /nfs/dbraw/zinc/38/79/66/410387966.db2.gz MAUZPUSCCOAJDK-LLVKDONJSA-N 2 0 223.320 0.667 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CCC1(C[NH3+])CC1 ZINC000650748240 410388303 /nfs/dbraw/zinc/38/83/03/410388303.db2.gz QJSWQVWPVGYZQO-NSHDSACASA-N 3 0 229.368 0.459 20 0 BCADRP [NH3+]CC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000650748136 410388369 /nfs/dbraw/zinc/38/83/69/410388369.db2.gz NSLNRXLJRKUXEU-FOSCPWQOSA-N 3 0 223.364 0.988 20 0 BCADRP C[C@H]1CCNC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650748506 410390747 /nfs/dbraw/zinc/39/07/47/410390747.db2.gz VLNYSNSIZBHPCM-WDEREUQCSA-N 2 0 211.353 0.703 20 0 BCADRP C[C@@H](CC(=O)N(C)C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763526 410414078 /nfs/dbraw/zinc/41/40/78/410414078.db2.gz CPYUEMRDSMBDHA-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000655456490 410507448 /nfs/dbraw/zinc/50/74/48/410507448.db2.gz CYIOPZLCQVYMJD-KOLCDFICSA-N 2 0 225.336 0.515 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000655456494 410507591 /nfs/dbraw/zinc/50/75/91/410507591.db2.gz CYIOPZLCQVYMJD-ONGXEEELSA-N 2 0 225.336 0.515 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000655457813 410520983 /nfs/dbraw/zinc/52/09/83/410520983.db2.gz FFQWEHJRAVETKU-PWSUYJOCSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000655457812 410521274 /nfs/dbraw/zinc/52/12/74/410521274.db2.gz FFQWEHJRAVETKU-JQWIXIFHSA-N 2 0 237.347 0.339 20 0 BCADRP CC[NH+](CC)CC(=O)NCCC1CC[NH2+]CC1 ZINC000653271650 410535604 /nfs/dbraw/zinc/53/56/04/410535604.db2.gz DBIRKUTVNLBWKI-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CC[NH2+]C1CC1 ZINC000655460521 410572713 /nfs/dbraw/zinc/57/27/13/410572713.db2.gz RCZKXBUCUZFMHP-ONGXEEELSA-N 2 0 243.326 0.287 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000653272587 410540633 /nfs/dbraw/zinc/54/06/33/410540633.db2.gz VCUUTJNELHGFMD-PWSUYJOCSA-N 2 0 239.363 0.490 20 0 BCADRP CN(CC[NH+]1CCCCC1)C(=O)C[NH2+]C1CC1 ZINC000653274590 410554561 /nfs/dbraw/zinc/55/45/61/410554561.db2.gz JZPZIBRNFCAHGJ-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP CN(CC[NH+]1CCCCC1)C(=O)C1([NH3+])CC1 ZINC000653274648 410555139 /nfs/dbraw/zinc/55/51/39/410555139.db2.gz LKURBTGUUOIHAE-UHFFFAOYSA-N 2 0 225.336 0.422 20 0 BCADRP CN(CC[NH+]1CCCCC1)C(=O)CCC[NH3+] ZINC000653275243 410556916 /nfs/dbraw/zinc/55/69/16/410556916.db2.gz ZYBHGBWNHVDCGQ-UHFFFAOYSA-N 2 0 227.352 0.670 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000130861188 169763779 /nfs/dbraw/zinc/76/37/79/169763779.db2.gz PLTSXNXVWZSAHO-LLVKDONJSA-N 2 0 227.352 0.668 20 0 BCADRP O=C(CC[NH2+]C1CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000655463699 410646481 /nfs/dbraw/zinc/64/64/81/410646481.db2.gz UQRJBLWCPGCNTQ-LLVKDONJSA-N 2 0 237.347 0.387 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655463975 410651354 /nfs/dbraw/zinc/65/13/54/410651354.db2.gz BTTTZPQZJWDMMR-NQBHXWOUSA-N 2 0 239.363 0.620 20 0 BCADRP O=C(CC[NH2+]C1CC1)NCCC[C@H]1CCC[NH2+]1 ZINC000655464175 410656755 /nfs/dbraw/zinc/65/67/55/410656755.db2.gz BZPHNHWSMYEIES-LLVKDONJSA-N 2 0 239.363 0.777 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655478947 410712558 /nfs/dbraw/zinc/71/25/58/410712558.db2.gz FFYVUSFJXRKVIQ-WCQYABFASA-N 2 0 239.363 0.444 20 0 BCADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCOC1 ZINC000665235369 410727099 /nfs/dbraw/zinc/72/70/99/410727099.db2.gz VAIIPUAZRAPBOV-YVECIDJPSA-N 2 0 242.363 0.897 20 0 BCADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCOC1 ZINC000665235366 410727539 /nfs/dbraw/zinc/72/75/39/410727539.db2.gz VAIIPUAZRAPBOV-FDYHWXHSSA-N 2 0 242.363 0.897 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1NCC1([NH3+])CCCC1 ZINC000665248838 410731789 /nfs/dbraw/zinc/73/17/89/410731789.db2.gz DGASLIZPQNULPE-MNOVXSKESA-N 2 0 211.353 0.798 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000655483141 410739837 /nfs/dbraw/zinc/73/98/37/410739837.db2.gz TWZHUQZDTQAFPL-UWVGGRQHSA-N 2 0 225.336 0.385 20 0 BCADRP CCC[N@@H+]1CC[C@H](N[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000665273899 410744033 /nfs/dbraw/zinc/74/40/33/410744033.db2.gz GKBULXNFVUWTKJ-SRVKXCTJSA-N 2 0 211.353 0.940 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000655484454 410751916 /nfs/dbraw/zinc/75/19/16/410751916.db2.gz SKACPBBRMDEDQA-NHCYSSNCSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665280249 410755431 /nfs/dbraw/zinc/75/54/31/410755431.db2.gz WRBAENYPGHTILJ-ZYGVAYEYSA-N 2 0 209.337 0.326 20 0 BCADRP COC[C@H](C)CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000393747819 410757745 /nfs/dbraw/zinc/75/77/45/410757745.db2.gz OGTUBEIUCJMTIK-IJLUTSLNSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489175 410796125 /nfs/dbraw/zinc/79/61/25/410796125.db2.gz MUIMDOXQWMBSBA-BBBLOLIVSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000655489445 410798779 /nfs/dbraw/zinc/79/87/79/410798779.db2.gz SAUFRDNMWXEEDZ-ADEWGFFLSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000655488567 410799058 /nfs/dbraw/zinc/79/90/58/410799058.db2.gz CNJVDVTUJWTQJQ-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655488891 410801181 /nfs/dbraw/zinc/80/11/81/410801181.db2.gz IJAHLUBTRKXNOW-SDDRHHMPSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+]CC1(CCNC(=O)CC[NH2+]C2CC2)CC1 ZINC000655484043 410748586 /nfs/dbraw/zinc/74/85/86/410748586.db2.gz KMQJLJFBCONYKE-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396460139 410885621 /nfs/dbraw/zinc/88/56/21/410885621.db2.gz MEMYSBPDXQQOKJ-JQWIXIFHSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396460580 410886021 /nfs/dbraw/zinc/88/60/21/410886021.db2.gz MEMYSBPDXQQOKJ-ZYHUDNBSSA-N 2 0 241.379 0.960 20 0 BCADRP CCC(C)(C)[NH+]1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000655494862 410877089 /nfs/dbraw/zinc/87/70/89/410877089.db2.gz PFEJFYNLVPYPKC-UHFFFAOYSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000396476183 410880394 /nfs/dbraw/zinc/88/03/94/410880394.db2.gz WQMSOILUEFCNLN-VWYCJHECSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@@H](NC(=O)CC[C@H](C)[NH3+])C1CC[NH+](C)CC1 ZINC000396443918 410882940 /nfs/dbraw/zinc/88/29/40/410882940.db2.gz XIELUOSLKACODP-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396431233 410883052 /nfs/dbraw/zinc/88/30/52/410883052.db2.gz GCGCGQVRAJQZEP-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](NC(=O)[C@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000396439625 410883324 /nfs/dbraw/zinc/88/33/24/410883324.db2.gz RPXIBVQAGOIDJA-CMPLNLGQSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396446570 410883794 /nfs/dbraw/zinc/88/37/94/410883794.db2.gz CTPSTJWCSQATQB-ZYHUDNBSSA-N 2 0 241.379 0.816 20 0 BCADRP NC(=O)C[N@H+](CC[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000396745465 410896279 /nfs/dbraw/zinc/89/62/79/410896279.db2.gz XYVCWYXAVQYVST-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP CC[NH+](CC)CCNC(=O)CC[C@H](C)[NH3+] ZINC000069838728 169778538 /nfs/dbraw/zinc/77/85/38/169778538.db2.gz BPKJRFADQVWEJC-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP CC(C)N1CC[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000359298653 167025299 /nfs/dbraw/zinc/02/52/99/167025299.db2.gz FOSQTHAGOSQFIC-SRVKXCTJSA-N 2 0 237.347 0.147 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000038029518 167096652 /nfs/dbraw/zinc/09/66/52/167096652.db2.gz OLGYKMNTDRPORR-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)([NH3+])CNC(=O)c1ccc(C[NH3+])o1 ZINC000309260889 410914372 /nfs/dbraw/zinc/91/43/72/410914372.db2.gz HZNXCBRUSJLPQY-UHFFFAOYSA-N 2 0 211.265 0.205 20 0 BCADRP CC(C)[C@@H](C(=O)NCCCC[NH3+])[NH+](C)C ZINC000236710912 167343235 /nfs/dbraw/zinc/34/32/35/167343235.db2.gz NCDIPTMZANEZAU-JTQLQIEISA-N 2 0 215.341 0.428 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)[NH+](C)C ZINC000368199269 167343354 /nfs/dbraw/zinc/34/33/54/167343354.db2.gz FPJFBPPQNJPLMG-DCAQKATOSA-N 2 0 245.342 0.389 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000309277517 167394333 /nfs/dbraw/zinc/39/43/33/167394333.db2.gz DYIODGNQZFGAGD-VHSXEESVSA-N 2 0 213.325 0.038 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC000044802175 167394544 /nfs/dbraw/zinc/39/45/44/167394544.db2.gz VZBZNEHAAYKVBH-GFCCVEGCSA-N 2 0 241.379 0.770 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000336667213 167395721 /nfs/dbraw/zinc/39/57/21/167395721.db2.gz MDYYLAJTZAZWGQ-NXEZZACHSA-N 2 0 213.325 0.086 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C[C@@H](C)[NH3+] ZINC000041680174 410933503 /nfs/dbraw/zinc/93/35/03/410933503.db2.gz RZCFOTSYUGGIBW-ZJUUUORDSA-N 2 0 215.341 0.570 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000398989302 411007338 /nfs/dbraw/zinc/00/73/38/411007338.db2.gz JHAQOOQHIFGQFE-WDEREUQCSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@H](C(=O)NCc1c[nH]cn1)C1CCC1 ZINC000399021439 411008128 /nfs/dbraw/zinc/00/81/28/411008128.db2.gz IDPNGITVCOZRKS-VIFPVBQESA-N 2 0 208.265 0.153 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)c1ccc(C[NH3+])o1 ZINC000309458723 410945053 /nfs/dbraw/zinc/94/50/53/410945053.db2.gz OEUYEFAAXGRXEZ-SSDOTTSWSA-N 2 0 211.265 0.063 20 0 BCADRP CC1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C[NH2+]C1 ZINC000399190048 411023363 /nfs/dbraw/zinc/02/33/63/411023363.db2.gz YHHPDRHUHREULX-QWRGUYRKSA-N 2 0 237.347 0.339 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000309397142 411162895 /nfs/dbraw/zinc/16/28/95/411162895.db2.gz GSDSQRMFABLDNI-ONGXEEELSA-N 2 0 213.325 0.311 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CCC([NH3+])CC1 ZINC000309399038 411163008 /nfs/dbraw/zinc/16/30/08/411163008.db2.gz HCSRUPPYXZJHGV-NSHDSACASA-N 2 0 213.325 0.454 20 0 BCADRP COCC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400936005 411163359 /nfs/dbraw/zinc/16/33/59/411163359.db2.gz ASVFNWMMANXEBR-YVECIDJPSA-N 2 0 242.363 0.362 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044538985 411137523 /nfs/dbraw/zinc/13/75/23/411137523.db2.gz WRYCAMYTUFDAMG-YPMHNXCESA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655968141 411163901 /nfs/dbraw/zinc/16/39/01/411163901.db2.gz NSSBMQQSEZCLOC-GARJFASQSA-N 2 0 242.367 0.363 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)[C@@H](C)C1 ZINC000651939016 411154352 /nfs/dbraw/zinc/15/43/52/411154352.db2.gz PYFFDJVBLFUJSZ-YFKTTZPYSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]([NH3+])CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000309501229 411154894 /nfs/dbraw/zinc/15/48/94/411154894.db2.gz UZBHAJVCKKQSDU-SDDRHHMPSA-N 2 0 211.353 0.798 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000651939391 411155670 /nfs/dbraw/zinc/15/56/70/411155670.db2.gz DRVICHOOIYLWGY-WYUUTHIRSA-N 2 0 237.347 0.467 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000651939389 411155985 /nfs/dbraw/zinc/15/59/85/411155985.db2.gz DRVICHOOIYLWGY-NNYUYHANSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)CC(C)(C)[NH3+] ZINC000309374064 411113769 /nfs/dbraw/zinc/11/37/69/411113769.db2.gz CKEBNCAPCIVWDR-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(C[C@H]2CCSC2)CCO1 ZINC000300231208 411116718 /nfs/dbraw/zinc/11/67/18/411116718.db2.gz GKVZAFFYMNZIIH-AXFHLTTASA-N 2 0 230.377 0.788 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000309388883 411120447 /nfs/dbraw/zinc/12/04/47/411120447.db2.gz BPVQXJAFOYDSEI-UMNHJUIQSA-N 2 0 225.336 0.311 20 0 BCADRP [NH3+]CCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655961349 411162814 /nfs/dbraw/zinc/16/28/14/411162814.db2.gz OIZUSIJMHHNVOO-WDEREUQCSA-N 2 0 240.351 0.261 20 0 BCADRP C[NH2+]CCNC(=O)N(C)CC[NH+]1CCCCC1 ZINC000652203937 411168223 /nfs/dbraw/zinc/16/82/23/411168223.db2.gz AUSMMRAYPXRRGQ-UHFFFAOYSA-N 2 0 242.367 0.333 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C1([NH3+])CC2(CCC2)C1)C1CC1 ZINC000659289572 411169616 /nfs/dbraw/zinc/16/96/16/411169616.db2.gz CURLSOUMGSAEJZ-SNVBAGLBSA-N 2 0 237.347 0.502 20 0 BCADRP [NH3+]CCCCC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000309559556 411171115 /nfs/dbraw/zinc/17/11/15/411171115.db2.gz NZBOMGNKVOHDAX-JTQLQIEISA-N 2 0 213.325 0.374 20 0 BCADRP [NH3+]CC1(CCNC(=O)NC2CC[NH2+]CC2)CC1 ZINC000652200410 411171199 /nfs/dbraw/zinc/17/11/99/411171199.db2.gz ZUUKMWGZEOKIFP-UHFFFAOYSA-N 2 0 240.351 0.167 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000309557732 411171372 /nfs/dbraw/zinc/17/13/72/411171372.db2.gz NECALYFIFRQPRB-KXUCPTDWSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652213077 411171768 /nfs/dbraw/zinc/17/17/68/411171768.db2.gz AZIUIBOQSCFBTI-SCVCMEIPSA-N 2 0 240.351 0.104 20 0 BCADRP C[C@H](C[NH3+])NC(=O)NCCC1CC[NH2+]CC1 ZINC000652213560 411172549 /nfs/dbraw/zinc/17/25/49/411172549.db2.gz VNAANWIRJZAXFB-SECBINFHSA-N 2 0 228.340 0.023 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000652216643 411173089 /nfs/dbraw/zinc/17/30/89/411173089.db2.gz AVQYJYADXZWDGS-SECBINFHSA-N 2 0 228.340 0.104 20 0 BCADRP CC(=O)NCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401035113 411173281 /nfs/dbraw/zinc/17/32/81/411173281.db2.gz RDEOKKNNPZLOLC-JHJVBQTASA-N 2 0 239.363 0.490 20 0 BCADRP O=C1NCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401022629 411173519 /nfs/dbraw/zinc/17/35/19/411173519.db2.gz YNWFJYYYTPFYGP-QCNOEVLYSA-N 2 0 237.347 0.243 20 0 BCADRP CC(C)(CO)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401037909 411173726 /nfs/dbraw/zinc/17/37/26/411173726.db2.gz ZOTIQQFTCZESAF-GRYCIOLGSA-N 2 0 226.364 0.983 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652210403 411173857 /nfs/dbraw/zinc/17/38/57/411173857.db2.gz SHHLJXRMFCMZFD-SECBINFHSA-N 2 0 228.340 0.009 20 0 BCADRP CC(C)[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401059991 411174235 /nfs/dbraw/zinc/17/42/35/411174235.db2.gz JEENTRDGAIBSEG-FDYHWXHSSA-N 2 0 226.364 0.981 20 0 BCADRP CC(C)[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401059993 411174305 /nfs/dbraw/zinc/17/43/05/411174305.db2.gz JEENTRDGAIBSEG-WUHRBBMRSA-N 2 0 226.364 0.981 20 0 BCADRP CC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401040986 411174557 /nfs/dbraw/zinc/17/45/57/411174557.db2.gz OYZDQUKMLXHTTE-KXNHARMFSA-N 2 0 212.337 0.735 20 0 BCADRP CO[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401055989 411174595 /nfs/dbraw/zinc/17/45/95/411174595.db2.gz VRHPJVWSOSQCPG-WISYIIOYSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000657940752 411175265 /nfs/dbraw/zinc/17/52/65/411175265.db2.gz MQAJGLTVPSPSFR-LLVKDONJSA-N 2 0 235.335 0.518 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCCC1CC[NH2+]CC1 ZINC000652221261 411175937 /nfs/dbraw/zinc/17/59/37/411175937.db2.gz UQZWEEVHIGDFNP-NSHDSACASA-N 2 0 242.367 0.413 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652222236 411176133 /nfs/dbraw/zinc/17/61/33/411176133.db2.gz INZMRQOXLSEFPU-SECBINFHSA-N 2 0 228.340 0.152 20 0 BCADRP CN(C(=O)NCCC1(C[NH3+])CC1)C1CC([NH3+])C1 ZINC000652231601 411176607 /nfs/dbraw/zinc/17/66/07/411176607.db2.gz AFGSDLSCZBKTMW-UHFFFAOYSA-N 2 0 240.351 0.247 20 0 BCADRP CNC(=O)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401125924 411178160 /nfs/dbraw/zinc/17/81/60/411178160.db2.gz LASGBUNLQOLWPH-QJPTWQEYSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H](CO)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401165888 411179092 /nfs/dbraw/zinc/17/90/92/411179092.db2.gz VDQPSEOYFAMMQZ-FIQHERPVSA-N 2 0 212.337 0.593 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)C)C1CC1 ZINC000062010155 411186412 /nfs/dbraw/zinc/18/64/12/411186412.db2.gz CCCFOJNSTSSPGW-SNVBAGLBSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000656193083 411198399 /nfs/dbraw/zinc/19/83/99/411198399.db2.gz MBRBAMNOFNYWSI-UTUOFQBUSA-N 3 0 223.364 0.988 20 0 BCADRP [NH3+]C[C@H](NCC1CC[NH2+]CC1)C(F)(F)F ZINC000656194805 411200606 /nfs/dbraw/zinc/20/06/06/411200606.db2.gz OUFJASAUBRFHSY-QMMMGPOBSA-N 2 0 225.258 0.465 20 0 BCADRP C[C@@]1(CN[C@@H](C[NH3+])C(F)(F)F)CC[NH2+]C1 ZINC000656194689 411201401 /nfs/dbraw/zinc/20/14/01/411201401.db2.gz NZLILCTWFZKFLG-JGVFFNPUSA-N 2 0 225.258 0.465 20 0 BCADRP CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656199096 411201404 /nfs/dbraw/zinc/20/14/04/411201404.db2.gz LIZACRJKAWNGBG-FVCCEPFGSA-N 2 0 242.363 0.897 20 0 BCADRP C[C@]1(CN[C@@H](C[NH3+])C(F)(F)F)CC[NH2+]C1 ZINC000656194691 411201751 /nfs/dbraw/zinc/20/17/51/411201751.db2.gz NZLILCTWFZKFLG-YUMQZZPRSA-N 2 0 225.258 0.465 20 0 BCADRP CCc1nncn1CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656196786 411202030 /nfs/dbraw/zinc/20/20/30/411202030.db2.gz HIHJSKVHZZPCGL-GHMZBOCLSA-N 2 0 237.351 0.700 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOC[C@@H]2CCOC2)C1 ZINC000656197685 411203139 /nfs/dbraw/zinc/20/31/39/411203139.db2.gz XQUMIGXSMKACMC-JHJVBQTASA-N 2 0 242.363 0.899 20 0 BCADRP CCOCC[N@H+](CC)C[C@](C)(O)C[NH2+]C ZINC000652337589 411203636 /nfs/dbraw/zinc/20/36/36/411203636.db2.gz XHOWQLCXZAEVQQ-LLVKDONJSA-N 2 0 218.341 0.315 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000652338481 411204570 /nfs/dbraw/zinc/20/45/70/411204570.db2.gz ICPMTHOPRFDOEU-VXGBXAGGSA-N 2 0 228.336 0.069 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H]2[NH3+])C1 ZINC000656201385 411206161 /nfs/dbraw/zinc/20/61/61/411206161.db2.gz WUJBTCVBWNYAIL-KXNHARMFSA-N 2 0 211.353 0.796 20 0 BCADRP COCC[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000652344638 411209379 /nfs/dbraw/zinc/20/93/79/411209379.db2.gz WNXIKSSEKCVDRL-LBPRGKRZSA-N 2 0 242.363 0.723 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000335479365 411210765 /nfs/dbraw/zinc/21/07/65/411210765.db2.gz MXWZPFISUKZLDY-NWDGAFQWSA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000335479364 411210770 /nfs/dbraw/zinc/21/07/70/411210770.db2.gz MXWZPFISUKZLDY-NEPJUHHUSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H]([NH3+])CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349709 411211133 /nfs/dbraw/zinc/21/11/33/411211133.db2.gz ZULPCGXIILCUDK-CYDGBPFRSA-N 2 0 241.379 0.552 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000365199067 411246361 /nfs/dbraw/zinc/24/63/61/411246361.db2.gz FSZGDRMJKMJBNN-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1CCC[N@H+](CCOCC[NH3+])[C@@H]1CC[NH3+] ZINC000652355973 411215279 /nfs/dbraw/zinc/21/52/79/411215279.db2.gz OIPUSRZBZGEIRO-NWDGAFQWSA-N 3 0 229.368 0.411 20 0 BCADRP C[C@@H](CO)C1CC[NH+](CCOCC[NH3+])CC1 ZINC000652358646 411216875 /nfs/dbraw/zinc/21/68/75/411216875.db2.gz ZKPJTOLLFPYTDO-NSHDSACASA-N 2 0 230.352 0.302 20 0 BCADRP [NH3+]C1(C(=O)NCC[NH2+]C2CC2)CC2(CCC2)C1 ZINC000659294188 411219747 /nfs/dbraw/zinc/21/97/47/411219747.db2.gz IHVCNOMZIKQIFL-UHFFFAOYSA-N 2 0 237.347 0.516 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)N(C)CCC[NH3+])C1 ZINC000659608430 411228483 /nfs/dbraw/zinc/22/84/83/411228483.db2.gz CUJHOWQTXNJNIM-LLVKDONJSA-N 2 0 242.367 0.461 20 0 BCADRP CNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129109260 411229930 /nfs/dbraw/zinc/22/99/30/411229930.db2.gz RSPAGOIFHVCQSQ-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH3+])C1 ZINC000659611189 411232146 /nfs/dbraw/zinc/23/21/46/411232146.db2.gz QLOQPJTZCJKRIY-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CCO)C1 ZINC000310422134 411236397 /nfs/dbraw/zinc/23/63/97/411236397.db2.gz QVIBSFNSRAYOOJ-CHWSQXEVSA-N 2 0 244.379 0.393 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000309406507 411241918 /nfs/dbraw/zinc/24/19/18/411241918.db2.gz HZHSIDZDMILYHF-RKDXNWHRSA-N 2 0 213.325 0.310 20 0 BCADRP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400946381 411165762 /nfs/dbraw/zinc/16/57/62/411165762.db2.gz CYOWSSZCPBANIB-WHOHXGKFSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659557458 411166702 /nfs/dbraw/zinc/16/67/02/411166702.db2.gz YDALHRBQOUEOSV-XTQFYOIMSA-N 2 0 240.351 0.163 20 0 BCADRP CC[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400968058 411166736 /nfs/dbraw/zinc/16/67/36/411166736.db2.gz CPQNUEDJHSQNSO-NNYUYHANSA-N 2 0 212.337 0.735 20 0 BCADRP COCC(COC)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400968444 411166750 /nfs/dbraw/zinc/16/67/50/411166750.db2.gz IIBIDTIRWFIYJF-IJLUTSLNSA-N 2 0 242.363 0.626 20 0 BCADRP O[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCOC1 ZINC000400970639 411167371 /nfs/dbraw/zinc/16/73/71/411167371.db2.gz MLHOYRKXPJHFBJ-RVMXOQNASA-N 2 0 240.347 0.116 20 0 BCADRP CN(C)C(=O)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400986869 411167596 /nfs/dbraw/zinc/16/75/96/411167596.db2.gz VWPGOIDKIWGIFV-QJPTWQEYSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N(C)C ZINC000400989057 411167670 /nfs/dbraw/zinc/16/76/70/411167670.db2.gz XAAMZCPETFBCOL-IRCOFANPSA-N 2 0 239.363 0.441 20 0 BCADRP c1c(C[C@H]2CCC[NH2+]C2)nnn1C1CC[NH2+]CC1 ZINC000656456578 411265705 /nfs/dbraw/zinc/26/57/05/411265705.db2.gz DRHXNBLJPNACQZ-LLVKDONJSA-N 2 0 249.362 0.745 20 0 BCADRP [NH3+]CCCNC(=O)CCC1CC[NH2+]CC1 ZINC000050950334 411268849 /nfs/dbraw/zinc/26/88/49/411268849.db2.gz HDDRWNMHDYCLQN-UHFFFAOYSA-N 2 0 213.325 0.231 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000659641233 411275948 /nfs/dbraw/zinc/27/59/48/411275948.db2.gz FHVROMOYHAFXQJ-ONGXEEELSA-N 2 0 240.351 0.130 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000659642585 411277864 /nfs/dbraw/zinc/27/78/64/411277864.db2.gz YCONLZLTCCMCCS-GHMZBOCLSA-N 2 0 242.367 0.187 20 0 BCADRP C[NH+](C)CCc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656466217 411277869 /nfs/dbraw/zinc/27/78/69/411277869.db2.gz ABCBQUXJHORUAZ-NSHDSACASA-N 2 0 223.324 0.307 20 0 BCADRP CC[C@@H]([NH3+])c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656467358 411279333 /nfs/dbraw/zinc/27/93/33/411279333.db2.gz OQOWWJQLJKSPBM-RKDXNWHRSA-N 2 0 209.297 0.612 20 0 BCADRP CC(C)(C)[C@H]([NH3+])c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000656467458 411279564 /nfs/dbraw/zinc/27/95/64/411279564.db2.gz CIPBROPWDWPTIC-WCBMZHEXSA-N 2 0 223.324 0.858 20 0 BCADRP [NH3+][C@H](c1cn([C@@H]2CC[NH2+]C2)nn1)c1ccccc1 ZINC000656468345 411280723 /nfs/dbraw/zinc/28/07/23/411280723.db2.gz LLVKCWHTBZZIGB-YPMHNXCESA-N 2 0 243.314 0.861 20 0 BCADRP CC[NH2+]Cc1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656468774 411280816 /nfs/dbraw/zinc/28/08/16/411280816.db2.gz SEYDSHDNSJWVMT-SNVBAGLBSA-N 2 0 209.297 0.312 20 0 BCADRP CC[C@@](C)([NH3+])c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656468695 411280939 /nfs/dbraw/zinc/28/09/39/411280939.db2.gz RCUAAASUPCGXTR-MWLCHTKSSA-N 2 0 223.324 0.787 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000051694921 411281185 /nfs/dbraw/zinc/28/11/85/411281185.db2.gz OFESKHKJWXFIIZ-RTYFJBAXSA-N 2 0 227.352 0.890 20 0 BCADRP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889768 411285521 /nfs/dbraw/zinc/28/55/21/411285521.db2.gz LVUJZYXEWSRXGL-GMTAPVOTSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H](CNC(=O)C[NH2+]C1CC1)C[NH+]1CCCC1 ZINC000062076583 411329202 /nfs/dbraw/zinc/32/92/02/411329202.db2.gz IAUFUBGNZISXOL-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP CCCN(C(=O)N[C@H](C)C[NH2+]C)[C@@H]1CC[NH2+]C1 ZINC000659643285 411293848 /nfs/dbraw/zinc/29/38/48/411293848.db2.gz PWAFFXBATJHGAD-GHMZBOCLSA-N 2 0 242.367 0.378 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000659643809 411295370 /nfs/dbraw/zinc/29/53/70/411295370.db2.gz UNTVOTSRZLMALX-QWRGUYRKSA-N 2 0 244.383 0.609 20 0 BCADRP CCCN(C[C@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000309853159 411296211 /nfs/dbraw/zinc/29/62/11/411296211.db2.gz ZBDFLNFKPUIZTL-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000659303702 411296420 /nfs/dbraw/zinc/29/64/20/411296420.db2.gz VBCOAHZBUBTSNY-VHSXEESVSA-N 2 0 213.325 0.180 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062980243 411330253 /nfs/dbraw/zinc/33/02/53/411330253.db2.gz FHHJAEUFJKWHCV-OLZOCXBDSA-N 2 0 223.364 0.766 20 0 BCADRP Cc1cn2cc(NC(=O)[C@H]3CC[NH2+]3)ccc2n1 ZINC000336596698 411253872 /nfs/dbraw/zinc/25/38/72/411253872.db2.gz HYBJKXAMONYRKN-SNVBAGLBSA-N 2 0 230.271 0.943 20 0 BCADRP C[C@H]([NH2+]C/C=C/CO)C1CC[NH+](C)CC1 ZINC000658131730 411254987 /nfs/dbraw/zinc/25/49/87/411254987.db2.gz DBZYDSAALRJPLN-UFFNRZRYSA-N 2 0 212.337 0.855 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)CC[N@@H+]1C ZINC000653444547 411256120 /nfs/dbraw/zinc/25/61/20/411256120.db2.gz QQMFKGSWCWEEOR-DDHJBXDOSA-N 2 0 239.363 0.665 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000050464462 411259353 /nfs/dbraw/zinc/25/93/53/411259353.db2.gz HMKZVTPFPPMGMW-MXWKQRLJSA-N 2 0 225.336 0.180 20 0 BCADRP CN1CCN(C[C@]2(C)CC[NH2+]C2)CCC1=O ZINC000656792671 411372906 /nfs/dbraw/zinc/37/29/06/411372906.db2.gz VLSKUNIXVGEZGC-GFCCVEGCSA-N 2 0 225.336 0.150 20 0 BCADRP CC[N@@H+]1CC[C@@H](N[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000656788225 411367108 /nfs/dbraw/zinc/36/71/08/411367108.db2.gz WWNDESOMUPWAEZ-GRYCIOLGSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@@]12COC[C@H]1C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000656790892 411370726 /nfs/dbraw/zinc/37/07/26/411370726.db2.gz BXMDPJRNCJGPQA-FRRDWIJNSA-N 2 0 224.348 0.954 20 0 BCADRP CC[C@H](C)[NH+]1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000654137775 411340943 /nfs/dbraw/zinc/34/09/43/411340943.db2.gz QRDPGIPDIWOBRH-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP CO[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C1CCC1 ZINC000659848474 411341434 /nfs/dbraw/zinc/34/14/34/411341434.db2.gz AAZJYCXFODGAFJ-JHJVBQTASA-N 2 0 224.348 0.953 20 0 BCADRP CC1(NC(=O)C[C@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000193387396 168056375 /nfs/dbraw/zinc/05/63/75/168056375.db2.gz PLHMSNQNAWAWQY-SNVBAGLBSA-N 2 0 225.336 0.387 20 0 BCADRP CC1(NC(=O)C[C@@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000193387383 168057079 /nfs/dbraw/zinc/05/70/79/168057079.db2.gz PLHMSNQNAWAWQY-JTQLQIEISA-N 2 0 225.336 0.387 20 0 BCADRP C(Cc1nc([C@H]2CCC[NH2+]2)no1)[NH2+]C1CC1 ZINC000653491130 411381981 /nfs/dbraw/zinc/38/19/81/411381981.db2.gz LWYUBSZLDFTWQD-SECBINFHSA-N 2 0 222.292 0.789 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000102559456 168179842 /nfs/dbraw/zinc/17/98/42/168179842.db2.gz ROBMDFFWJXKGLG-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](CNC(=O)C1([NH3+])CC1)[NH+]1CCC(C)CC1 ZINC000236723133 168187057 /nfs/dbraw/zinc/18/70/57/168187057.db2.gz IWGYSBIELJMHBT-LLVKDONJSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@@H](CNC(=O)C[NH3+])[NH+]1CCC(C)CC1 ZINC000236680721 168187768 /nfs/dbraw/zinc/18/77/68/168187768.db2.gz PTEHQMHACYPGBU-GFCCVEGCSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C[NH2+]C(C)C ZINC000659296955 411390158 /nfs/dbraw/zinc/39/01/58/411390158.db2.gz JMAIBCBCRZTXMZ-SNVBAGLBSA-N 2 0 215.341 0.474 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000659295932 411386952 /nfs/dbraw/zinc/38/69/52/411386952.db2.gz HNXVJTAZYAVZDP-NSHDSACASA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000659327554 411395297 /nfs/dbraw/zinc/39/52/97/411395297.db2.gz FLBAWQNLULUWQR-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000580763865 411395445 /nfs/dbraw/zinc/39/54/45/411395445.db2.gz WIXQOWIPYREPML-WYUUTHIRSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC(C)([NH3+])CC1 ZINC000309449466 411396606 /nfs/dbraw/zinc/39/66/06/411396606.db2.gz MDYZMKIODSRZSM-IUCAKERBSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000309446303 411397189 /nfs/dbraw/zinc/39/71/89/411397189.db2.gz LLMMNHHTCLVQGW-IUCAKERBSA-N 2 0 213.325 0.310 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000653044365 411401274 /nfs/dbraw/zinc/40/12/74/411401274.db2.gz ABNSMTUPAHNIEM-WDEREUQCSA-N 2 0 225.336 0.244 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000653044363 411401286 /nfs/dbraw/zinc/40/12/86/411401286.db2.gz ABNSMTUPAHNIEM-MNOVXSKESA-N 2 0 225.336 0.244 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653044491 411401385 /nfs/dbraw/zinc/40/13/85/411401385.db2.gz IPJIKEOQSBDWJC-WOPDTQHZSA-N 2 0 237.347 0.385 20 0 BCADRP [NH3+]CCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659348779 411401430 /nfs/dbraw/zinc/40/14/30/411401430.db2.gz OJGBEBDZPSZZGE-CHWSQXEVSA-N 2 0 247.342 0.597 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653044576 411401990 /nfs/dbraw/zinc/40/19/90/411401990.db2.gz OZNOQYDXPHWJCJ-JTQLQIEISA-N 2 0 213.325 0.102 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000653049369 411402590 /nfs/dbraw/zinc/40/25/90/411402590.db2.gz GSBGVYOCNLVSLO-SDDRHHMPSA-N 2 0 239.363 0.572 20 0 BCADRP O=C(NCC[NH2+]C1CC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653048223 411404213 /nfs/dbraw/zinc/40/42/13/411404213.db2.gz QKPGNDDBRRAFIS-VXGBXAGGSA-N 2 0 237.347 0.385 20 0 BCADRP CN(C(=O)[C@H]1CCC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000653049816 411404224 /nfs/dbraw/zinc/40/42/24/411404224.db2.gz GMEAFWHBGWECJN-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+]CCC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659365809 411404640 /nfs/dbraw/zinc/40/46/40/411404640.db2.gz IHAOGXANYSFRLI-GFCCVEGCSA-N 2 0 249.314 0.635 20 0 BCADRP C[NH2+]C1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000653049957 411404905 /nfs/dbraw/zinc/40/49/05/411404905.db2.gz VQEUNOZKEURSNC-CMPLNLGQSA-N 2 0 239.363 0.714 20 0 BCADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000653049007 411405338 /nfs/dbraw/zinc/40/53/38/411405338.db2.gz MBAKWKWQZRCKLH-NWDGAFQWSA-N 2 0 239.363 0.492 20 0 BCADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000653049009 411405500 /nfs/dbraw/zinc/40/55/00/411405500.db2.gz MBAKWKWQZRCKLH-VXGBXAGGSA-N 2 0 239.363 0.492 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653053139 411406378 /nfs/dbraw/zinc/40/63/78/411406378.db2.gz WPFPPDHQCLSRDA-DGCLKSJQSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000659375676 411406909 /nfs/dbraw/zinc/40/69/09/411406909.db2.gz FESNVHPRNFSCBO-GRYCIOLGSA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+](C)C)C1 ZINC000654548430 411410902 /nfs/dbraw/zinc/41/09/02/411410902.db2.gz QNDJXWKHEWYULO-RYUDHWBXSA-N 2 0 241.379 0.878 20 0 BCADRP CCCNC(=O)CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000653501770 411414244 /nfs/dbraw/zinc/41/42/44/411414244.db2.gz ICYYJDRBVSQCAL-RYUDHWBXSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000659460321 411417123 /nfs/dbraw/zinc/41/71/23/411417123.db2.gz OAIJNDLMDOHOQH-HBNTYKKESA-N 2 0 242.367 0.376 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659456778 411417445 /nfs/dbraw/zinc/41/74/45/411417445.db2.gz SFSIYPAFPMCLNH-VHSXEESVSA-N 2 0 240.351 0.130 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659522544 411428392 /nfs/dbraw/zinc/42/83/92/411428392.db2.gz CQOGKKPTESBTAS-JTQLQIEISA-N 2 0 244.383 0.883 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000659537291 411431050 /nfs/dbraw/zinc/43/10/50/411431050.db2.gz RRQXOCLWZRZIBN-JTQLQIEISA-N 2 0 228.340 0.119 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659547857 411431194 /nfs/dbraw/zinc/43/11/94/411431194.db2.gz FFKMXQGCRXCYMB-YUMQZZPRSA-N 2 0 216.329 0.101 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCCCCC1 ZINC000126353699 411432126 /nfs/dbraw/zinc/43/21/26/411432126.db2.gz HFSXAIFPNUDEKD-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](C)[NH3+])C1 ZINC000659541088 411432461 /nfs/dbraw/zinc/43/24/61/411432461.db2.gz ZOJLCXDMIQTUSB-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP [NH3+]C/C=C/CNC(=O)NCC1([NH3+])CCCC1 ZINC000659544615 411433028 /nfs/dbraw/zinc/43/30/28/411433028.db2.gz VFQFOUHIANKVMA-ONEGZZNKSA-N 2 0 226.324 0.072 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)NC/C=C\C[NH3+])C1 ZINC000659544194 411433208 /nfs/dbraw/zinc/43/32/08/411433208.db2.gz QYVQZXZWNALZMO-BYCRGOAPSA-N 2 0 240.351 0.285 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659547854 411433851 /nfs/dbraw/zinc/43/38/51/411433851.db2.gz FFKMXQGCRXCYMB-HTQZYQBOSA-N 2 0 216.329 0.101 20 0 BCADRP C[C@H](O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657285155 411443199 /nfs/dbraw/zinc/44/31/99/411443199.db2.gz XAMJYXOSOHBZNL-JTQLQIEISA-N 2 0 232.287 0.738 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CCC(CC[NH3+])CC1 ZINC000659636292 411445051 /nfs/dbraw/zinc/44/50/51/411445051.db2.gz OVJQWPXZAOEZIE-JTQLQIEISA-N 2 0 242.367 0.365 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000659641199 411446276 /nfs/dbraw/zinc/44/62/76/411446276.db2.gz DSIOOZXTNOXVEU-DCAQKATOSA-N 2 0 242.367 0.506 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000659642503 411446555 /nfs/dbraw/zinc/44/65/55/411446555.db2.gz LBRCYBAUFMPURI-AXFHLTTASA-N 2 0 240.351 0.130 20 0 BCADRP CN(C)C(=O)C[NH2+]Cc1cnc2n1CCC2 ZINC000657292471 411453563 /nfs/dbraw/zinc/45/35/63/411453563.db2.gz OQMMBSBBJWJIAS-UHFFFAOYSA-N 2 0 222.292 0.007 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000659520550 411474848 /nfs/dbraw/zinc/47/48/48/411474848.db2.gz BZEVQZUGLYPHTA-AXFHLTTASA-N 2 0 242.367 0.411 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000659520552 411475636 /nfs/dbraw/zinc/47/56/36/411475636.db2.gz BZEVQZUGLYPHTA-GARJFASQSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)[NH+](C)C ZINC000407298455 411477622 /nfs/dbraw/zinc/47/76/22/411477622.db2.gz AYLGKLKJKSQWLN-USWWRNFRSA-N 2 0 239.363 0.583 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](CCO)CC1CC1 ZINC000659857412 411479374 /nfs/dbraw/zinc/47/93/74/411479374.db2.gz KAYDFIJTMAMMSO-ZDUSSCGKSA-N 2 0 244.379 0.392 20 0 BCADRP Cc1c[nH]c(C[NH2+]CC2(O)CC[NH+](C)CC2)n1 ZINC000657370307 411483736 /nfs/dbraw/zinc/48/37/36/411483736.db2.gz BPXBOGOEKQEXED-UHFFFAOYSA-N 2 0 238.335 0.264 20 0 BCADRP [NH3+][C@@H](CNC(=O)NCC1([NH3+])CCCC1)C1CC1 ZINC000659527188 411485461 /nfs/dbraw/zinc/48/54/61/411485461.db2.gz JZLOKTNBKUUHFP-JTQLQIEISA-N 2 0 240.351 0.294 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)CCCC[NH3+] ZINC000309468933 411496475 /nfs/dbraw/zinc/49/64/75/411496475.db2.gz QPXIQGINEVWZOW-UHFFFAOYSA-N 2 0 215.341 0.559 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000127644835 411498931 /nfs/dbraw/zinc/49/89/31/411498931.db2.gz CDNSDEXYXDVALB-LLVKDONJSA-N 2 0 227.352 0.490 20 0 BCADRP [NH3+]CC1(NC(=O)C[C@H]2CC[NH2+]C2)CCCC1 ZINC000127654687 411499871 /nfs/dbraw/zinc/49/98/71/411499871.db2.gz HJHVVYHOIUPUCI-SNVBAGLBSA-N 2 0 225.336 0.374 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659535198 411500981 /nfs/dbraw/zinc/50/09/81/411500981.db2.gz IIRKDDIXCLRSFW-NXEZZACHSA-N 2 0 242.367 0.363 20 0 BCADRP COC[C@@H](C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)OC ZINC000659947054 411507064 /nfs/dbraw/zinc/50/70/64/411507064.db2.gz JNUUQPXCHKVTJB-CHWSQXEVSA-N 2 0 244.379 0.921 20 0 BCADRP C[C@@H](C(=O)NCc1ccc2c[nH+]cn2c1)[NH+](C)C ZINC000655153550 411507654 /nfs/dbraw/zinc/50/76/54/411507654.db2.gz ZHJWWFPRPVKHQM-JTQLQIEISA-N 2 0 246.314 0.901 20 0 BCADRP [NH3+]CCCC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638873139 411511875 /nfs/dbraw/zinc/51/18/75/411511875.db2.gz DQSJRDHXNSWYMN-CYBMUJFWSA-N 2 0 249.358 0.802 20 0 BCADRP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805788 411520187 /nfs/dbraw/zinc/52/01/87/411520187.db2.gz SDDZOUORTLXBAJ-GARJFASQSA-N 2 0 248.392 0.349 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655807011 411520519 /nfs/dbraw/zinc/52/05/19/411520519.db2.gz GRUNRHPBVLZORD-LPEHRKFASA-N 2 0 213.325 0.180 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000655826045 411528051 /nfs/dbraw/zinc/52/80/51/411528051.db2.gz DWBZJORBZFMOGC-JGZJWPJOSA-N 2 0 208.309 0.840 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCC[NH3+])C[C@H]1C ZINC000357065268 170009177 /nfs/dbraw/zinc/00/91/77/170009177.db2.gz ABXNLHFIEQXVHO-CHWSQXEVSA-N 2 0 243.395 0.766 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH2+]C)[C@@H](C)C1 ZINC000246244329 170010766 /nfs/dbraw/zinc/01/07/66/170010766.db2.gz JECQIJLBTFMYMS-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000335150590 170011248 /nfs/dbraw/zinc/01/12/48/170011248.db2.gz OEUYKNPUPCSGPY-GHMZBOCLSA-N 2 0 225.336 0.291 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C(N)=O)[C@@H](C)C1 ZINC000245870672 170013146 /nfs/dbraw/zinc/01/31/46/170013146.db2.gz LBWYCNXDSQAVFU-WDEREUQCSA-N 2 0 241.379 0.818 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)CCC[NH3+])C1 ZINC000037484138 170015211 /nfs/dbraw/zinc/01/52/11/170015211.db2.gz JFVYFTFLUKUYRZ-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)CC[C@@H](C)[NH3+])C1 ZINC000069839429 170015407 /nfs/dbraw/zinc/01/54/07/170015407.db2.gz ILDMHQHVUANJFM-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C[NH3+])C[C@@H]1C ZINC000357253133 170018479 /nfs/dbraw/zinc/01/84/79/170018479.db2.gz WRUGUOCSNKKDDI-SRVKXCTJSA-N 2 0 241.379 0.912 20 0 BCADRP CC[N@@H+]1CC[C@H](NC[C@H](O)C[NH+](C)C)[C@H](C)C1 ZINC000305130878 170021307 /nfs/dbraw/zinc/02/13/07/170021307.db2.gz MZNYLUSXAQBZNU-AGIUHOORSA-N 2 0 243.395 0.229 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COCCO2)[C@H](C)C1 ZINC000358224508 170021457 /nfs/dbraw/zinc/02/14/57/170021457.db2.gz QXQUBJFMKFFZSZ-UPJWGTAASA-N 2 0 242.363 0.722 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C(N)=O)[C@@H](C)C1 ZINC000245870669 170021519 /nfs/dbraw/zinc/02/15/19/170021519.db2.gz LBWYCNXDSQAVFU-QWRGUYRKSA-N 2 0 241.379 0.818 20 0 BCADRP CC[N@@H+]1CC[C@H](NC[C@@H](O)C[NH+](C)C)[C@@H](C)C1 ZINC000305130882 170021642 /nfs/dbraw/zinc/02/16/42/170021642.db2.gz MZNYLUSXAQBZNU-XQQFMLRXSA-N 2 0 243.395 0.229 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(N)=O)[C@@H](C)C1 ZINC000309910796 170022592 /nfs/dbraw/zinc/02/25/92/170022592.db2.gz MRXNRUVLSHJQLF-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C[NH3+] ZINC000357246084 170023893 /nfs/dbraw/zinc/02/38/93/170023893.db2.gz XBPALCYQHITJET-TUAOUCFPSA-N 2 0 239.363 0.666 20 0 BCADRP CCN1C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000332600932 170040821 /nfs/dbraw/zinc/04/08/21/170040821.db2.gz AULWXNAVCLXBSW-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP CC[NH2+]CC1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000104427825 170111117 /nfs/dbraw/zinc/11/11/17/170111117.db2.gz YFFDTORNNMOGMU-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC000113656117 170111993 /nfs/dbraw/zinc/11/19/93/170111993.db2.gz GAJHVSPEPWMGHN-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000309517230 170114686 /nfs/dbraw/zinc/11/46/86/170114686.db2.gz SBWHIKNJPSOMCA-SNVBAGLBSA-N 2 0 213.325 0.244 20 0 BCADRP CC[NH2+][C@@H](C)CNC(=O)C1(C[NH3+])CCCC1 ZINC000358946454 170139098 /nfs/dbraw/zinc/13/90/98/170139098.db2.gz QZVAGAGEYDJAES-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP CC[NH2+][C@@H](C)CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000358946632 170139120 /nfs/dbraw/zinc/13/91/20/170139120.db2.gz RKGJGHRRMXNIKL-NWDGAFQWSA-N 2 0 241.379 0.880 20 0 BCADRP CC[NH2+][C@@H](C)CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000358915909 170140491 /nfs/dbraw/zinc/14/04/91/170140491.db2.gz QICCLIVPDNLRBK-CMPLNLGQSA-N 2 0 227.352 0.490 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H](C[NH3+])C(C)C ZINC000336756076 170157390 /nfs/dbraw/zinc/15/73/90/170157390.db2.gz YHAZRZYYASSKMT-ZJUUUORDSA-N 2 0 215.341 0.332 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000368526827 170157395 /nfs/dbraw/zinc/15/73/95/170157395.db2.gz JHLRTMOYJARMAX-NQBHXWOUSA-N 2 0 239.363 0.490 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000366454498 170157463 /nfs/dbraw/zinc/15/74/63/170157463.db2.gz SMXWOEDFDDGNIB-MNOVXSKESA-N 2 0 227.352 0.633 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000353428340 170157553 /nfs/dbraw/zinc/15/75/53/170157553.db2.gz MTABPHWXIWPESL-GRYCIOLGSA-N 2 0 241.379 0.735 20 0 BCADRP CCC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000217871259 411567431 /nfs/dbraw/zinc/56/74/31/411567431.db2.gz AOIUMXITRPZOEI-NEPJUHHUSA-N 2 0 230.352 0.194 20 0 BCADRP CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226328081 170247807 /nfs/dbraw/zinc/24/78/07/170247807.db2.gz YGJSKEHPOUFDMJ-MNOVXSKESA-N 2 0 228.336 0.999 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+]CCC[NH+]1CCCC1 ZINC000657823440 411606940 /nfs/dbraw/zinc/60/69/40/411606940.db2.gz GPBQBXJOODFLQK-GFCCVEGCSA-N 2 0 237.351 0.742 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000657836913 411609352 /nfs/dbraw/zinc/60/93/52/411609352.db2.gz XVHBZMZDPSBIGG-NEPJUHHUSA-N 2 0 249.362 0.741 20 0 BCADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCO)C2 ZINC000660654087 411613255 /nfs/dbraw/zinc/61/32/55/411613255.db2.gz FQONITGEDPXPIP-LBPRGKRZSA-N 2 0 212.337 0.787 20 0 BCADRP c1cn(CCNc2ncnc3[nH]ccc32)cn1 ZINC000339235999 411704352 /nfs/dbraw/zinc/70/43/52/411704352.db2.gz ZPGVGEBCOXPLNO-UHFFFAOYSA-N 2 0 228.259 1.267 20 0 BCADRP C[C@H](O)C[N@H+](C)CCCc1cncn1C ZINC000314497832 411713568 /nfs/dbraw/zinc/71/35/68/411713568.db2.gz DXJSSSAFDYDDFH-JTQLQIEISA-N 2 0 211.309 0.665 20 0 BCADRP CCO[C@H](CC[NH+](C)C)C[NH2+]CC1(C)COC1 ZINC000352774870 170504044 /nfs/dbraw/zinc/50/40/44/170504044.db2.gz RTFPINRCSPJZQI-GFCCVEGCSA-N 2 0 244.379 0.969 20 0 BCADRP C[C@]1(C[NH3+])CCN(C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663495418 411667851 /nfs/dbraw/zinc/66/78/51/411667851.db2.gz XSWZDUOWDAJPTN-QJPTWQEYSA-N 2 0 209.337 0.267 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663496421 411669088 /nfs/dbraw/zinc/66/90/88/411669088.db2.gz VTOWAIOOCGSATD-TUAOUCFPSA-N 2 0 209.337 0.137 20 0 BCADRP CN(C[C@@]12C[C@@H]1C[NH2+]C2)C1(C[NH3+])CCC1 ZINC000663494298 411673504 /nfs/dbraw/zinc/67/35/04/411673504.db2.gz NMJZOZZYXBKCCL-MNOVXSKESA-N 2 0 209.337 0.409 20 0 BCADRP [NH3+]CC1CC[NH+](C[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC000663493434 411673789 /nfs/dbraw/zinc/67/37/89/411673789.db2.gz BPEFZMNQIIHSFC-NWDGAFQWSA-N 3 0 209.337 0.267 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663496250 411677423 /nfs/dbraw/zinc/67/74/23/411677423.db2.gz FICXMEGDRABFGM-KKOKHZNYSA-N 2 0 209.337 0.455 20 0 BCADRP C[NH2+][C@@H]1CCCN(C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663496145 411677609 /nfs/dbraw/zinc/67/76/09/411677609.db2.gz SKIBREREFXCVGL-QJPTWQEYSA-N 2 0 209.337 0.280 20 0 BCADRP CC1(C)CN(C[C@]23C[C@H]2C[NH2+]C3)CC[NH2+]1 ZINC000663497905 411678818 /nfs/dbraw/zinc/67/88/18/411678818.db2.gz PAKDPFVFZHHGEG-CMPLNLGQSA-N 2 0 209.337 0.280 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663497271 411678954 /nfs/dbraw/zinc/67/89/54/411678954.db2.gz MMFRYAGQUFCTHH-KKOKHZNYSA-N 2 0 209.337 0.408 20 0 BCADRP C[C@@H]1C[C@H](NC[C@]23C[C@H]2C[NH2+]C3)CC[NH2+]1 ZINC000663497000 411680024 /nfs/dbraw/zinc/68/00/24/411680024.db2.gz KLZRUQAVGGPDNT-WRWGMCAJSA-N 2 0 209.337 0.326 20 0 BCADRP [NH3+]CC[C@H](NC[C@]12C[C@H]1C[NH2+]C2)C(F)(F)F ZINC000663500166 411683269 /nfs/dbraw/zinc/68/32/69/411683269.db2.gz YMSUBCBIVXINEX-XHNCKOQMSA-N 2 0 237.269 0.465 20 0 BCADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cnn(C)c1 ZINC000663499414 411683506 /nfs/dbraw/zinc/68/35/06/411683506.db2.gz ZQVYKBLIHAHQOR-LLVKDONJSA-N 2 0 210.325 0.883 20 0 BCADRP [NH3+]C[C@H](NC[C@]12C[C@H]1C[NH2+]C2)C(F)(F)F ZINC000663500305 411683945 /nfs/dbraw/zinc/68/39/45/411683945.db2.gz ZZESDPMMHQZLBV-BIIVOSGPSA-N 2 0 223.242 0.075 20 0 BCADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cncn1C ZINC000663500075 411684365 /nfs/dbraw/zinc/68/43/65/411684365.db2.gz NPXOTPNUTVVALP-LLVKDONJSA-N 2 0 210.325 0.883 20 0 BCADRP C[C@H]1C[NH2+]C[C@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000663501252 411685492 /nfs/dbraw/zinc/68/54/92/411685492.db2.gz UCRLMWXUVLOUPX-QTAHKJALSA-N 2 0 209.337 0.326 20 0 BCADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000663501471 411686350 /nfs/dbraw/zinc/68/63/50/411686350.db2.gz WBHMYYPYIOAYGA-VWGAPNJBSA-N 3 0 235.375 0.716 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC[C@@]1(C)CC[NH2+]C1 ZINC000663503935 411686988 /nfs/dbraw/zinc/68/69/88/411686988.db2.gz UHHWAYDLNDDKGB-VXGBXAGGSA-N 2 0 213.369 0.949 20 0 BCADRP C[C@]1(CN2CC[C@@H](F)[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000663505517 411688695 /nfs/dbraw/zinc/68/86/95/411688695.db2.gz JOBGPIZMQGKJTM-MXWKQRLJSA-N 2 0 215.316 0.357 20 0 BCADRP C[C@H]1C[C@H](C[N@@H+]2CCOC3(CNC3)C2)CC[NH2+]1 ZINC000663512202 411694234 /nfs/dbraw/zinc/69/42/34/411694234.db2.gz ZIXSLUQNCIPQTA-NWDGAFQWSA-N 2 0 239.363 0.049 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccnc(N)c1 ZINC000566244399 411913254 /nfs/dbraw/zinc/91/32/54/411913254.db2.gz NCQKKSOPKHURBL-MWLCHTKSSA-N 2 0 220.320 0.833 20 0 BCADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccnc(N)c2)C1 ZINC000516291689 411916861 /nfs/dbraw/zinc/91/68/61/411916861.db2.gz YVDOSJHSVLNEEK-LBPRGKRZSA-N 2 0 220.320 0.835 20 0 BCADRP C[C@@H](CNc1nc(N)[nH+]c2c1CCCC2)[NH+](C)C ZINC000645139394 411880266 /nfs/dbraw/zinc/88/02/66/411880266.db2.gz LUAGQACHKREQPV-VIFPVBQESA-N 2 0 249.362 0.722 20 0 BCADRP Nc1ncc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)s1 ZINC000647548165 411963920 /nfs/dbraw/zinc/96/39/20/411963920.db2.gz XIUYZFMPVNSRPK-SECBINFHSA-N 2 0 238.360 0.957 20 0 BCADRP Nc1ncc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)s1 ZINC000563136249 411976252 /nfs/dbraw/zinc/97/62/52/411976252.db2.gz VFXBDOMPDLYURA-HTQZYQBOSA-N 2 0 226.349 0.942 20 0 BCADRP Nc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cn1 ZINC000647547771 411976608 /nfs/dbraw/zinc/97/66/08/411976608.db2.gz DDGYSARGHMTYJC-GXSJLCMTSA-N 2 0 220.320 0.881 20 0 BCADRP CCC[N@H+](C)CC(C)(C)NC(=O)CC[NH3+] ZINC000664718833 412014345 /nfs/dbraw/zinc/01/43/45/412014345.db2.gz CJJMPHHTJGWBTK-UHFFFAOYSA-N 2 0 215.341 0.572 20 0 BCADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1CC[NH2+]1 ZINC000664719362 412015004 /nfs/dbraw/zinc/01/50/04/412015004.db2.gz PKPBLPSSYANJGL-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP Nc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000647544515 411954113 /nfs/dbraw/zinc/95/41/13/411954113.db2.gz CVTMKOGIZIMRRO-BETUJISGSA-N 2 0 246.358 1.095 20 0 BCADRP Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000647546823 411956880 /nfs/dbraw/zinc/95/68/80/411956880.db2.gz CXSDAZBYTJZARQ-GHMZBOCLSA-N 2 0 220.320 1.023 20 0 BCADRP Nc1ncc(C[NH2+][C@H]2CC23CC[NH2+]CC3)s1 ZINC000647548166 411963511 /nfs/dbraw/zinc/96/35/11/411963511.db2.gz XIUYZFMPVNSRPK-VIFPVBQESA-N 2 0 238.360 0.957 20 0 BCADRP Nc1ncc(C[NH2+][C@@H]2CCC[NH2+]CC2)s1 ZINC000647547010 411963590 /nfs/dbraw/zinc/96/35/90/411963590.db2.gz KNBYLIHEVUJTSB-MRVPVSSYSA-N 2 0 226.349 0.957 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662228607 412031880 /nfs/dbraw/zinc/03/18/80/412031880.db2.gz IVUSMJAJJQRIHI-QWHCGFSZSA-N 2 0 224.348 0.954 20 0 BCADRP COC[C@@H](C[N@H+](C1CC1)C1CC[NH2+]CC1)OC ZINC000662234209 412032528 /nfs/dbraw/zinc/03/25/28/412032528.db2.gz JTXRMPQJSWQKIF-CYBMUJFWSA-N 2 0 242.363 0.864 20 0 BCADRP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)ncn1 ZINC000662233343 412033151 /nfs/dbraw/zinc/03/31/51/412033151.db2.gz DMSRWTPYQMXGFV-UHFFFAOYSA-N 2 0 220.320 0.956 20 0 BCADRP COC[C@H](C[NH2+][C@@](C)(C[NH3+])C(C)C)OC ZINC000662248686 412037632 /nfs/dbraw/zinc/03/76/32/412037632.db2.gz AQURPOPJJQQPPK-QWRGUYRKSA-N 2 0 218.341 0.611 20 0 BCADRP COC[C@@H](C[N@H+](C)CC(C)(C)C[NH3+])OC ZINC000662247774 412044466 /nfs/dbraw/zinc/04/44/66/412044466.db2.gz KKNNMWPPXIYLAS-SNVBAGLBSA-N 2 0 218.341 0.565 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662247174 412044778 /nfs/dbraw/zinc/04/47/78/412044778.db2.gz USPHRLJEZHFKCW-NWDGAFQWSA-N 3 0 239.363 0.049 20 0 BCADRP CCN1CC[C@H](N2CCC[C@@H]([C@H](C)[NH3+])C2)C1=O ZINC000662246881 412045218 /nfs/dbraw/zinc/04/52/18/412045218.db2.gz UQZJCZFBXJJTJV-TUAOUCFPSA-N 2 0 239.363 0.666 20 0 BCADRP COCCC[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254141 412048937 /nfs/dbraw/zinc/04/89/37/412048937.db2.gz MAYNZPWDOSAWFQ-LLVKDONJSA-N 2 0 228.336 0.476 20 0 BCADRP CO[C@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662251539 412049854 /nfs/dbraw/zinc/04/98/54/412049854.db2.gz DXWATNYALRASBP-RYUDHWBXSA-N 2 0 240.347 0.618 20 0 BCADRP CC[NH+]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662257195 412051922 /nfs/dbraw/zinc/05/19/22/412051922.db2.gz BJLJJPFUIKFVSB-LBPRGKRZSA-N 2 0 239.363 0.145 20 0 BCADRP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCOC1 ZINC000662258988 412054369 /nfs/dbraw/zinc/05/43/69/412054369.db2.gz ZSGYUXFAIQESNV-WDEREUQCSA-N 2 0 226.320 0.228 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[NH3+] ZINC000375846329 171099149 /nfs/dbraw/zinc/09/91/49/171099149.db2.gz DSGMRNTWAAHYBD-GHMZBOCLSA-N 2 0 225.336 0.420 20 0 BCADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662272568 412064124 /nfs/dbraw/zinc/06/41/24/412064124.db2.gz GSZMGLVUCFPNJO-NEPJUHHUSA-N 3 0 239.363 0.178 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CNCCO2)C1 ZINC000662273757 412064661 /nfs/dbraw/zinc/06/46/61/412064661.db2.gz ZWGJNEINKKNYRM-RYUDHWBXSA-N 2 0 227.352 0.036 20 0 BCADRP COC[C@H](C[N@@H+]1CCC[C@H](CC[NH3+])C1)OC ZINC000662273733 412064762 /nfs/dbraw/zinc/06/47/62/412064762.db2.gz ZIFGJYIDTBNCDU-NEPJUHHUSA-N 2 0 230.352 0.709 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@H](COC)OC)CC[C@H]1[NH3+] ZINC000662273107 412066362 /nfs/dbraw/zinc/06/63/62/412066362.db2.gz SYSBDKGJUSAGNU-IJLUTSLNSA-N 2 0 230.352 0.707 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000353136483 171145973 /nfs/dbraw/zinc/14/59/73/171145973.db2.gz XILVIBHZJBQNOY-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000353136489 171146477 /nfs/dbraw/zinc/14/64/77/171146477.db2.gz XILVIBHZJBQNOY-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000353130901 171147950 /nfs/dbraw/zinc/14/79/50/171147950.db2.gz PQHJILYQUMOLHM-NOOOWODRSA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000353159894 171148374 /nfs/dbraw/zinc/14/83/74/171148374.db2.gz CWXQXJSUBMCRQK-WOPDTQHZSA-N 2 0 241.379 0.864 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]C ZINC000353164313 171148974 /nfs/dbraw/zinc/14/89/74/171148974.db2.gz FMPUQNCYMRFPME-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000353423475 171149716 /nfs/dbraw/zinc/14/97/16/171149716.db2.gz DYBRMNKVLSRHAN-VWYCJHECSA-N 2 0 225.336 0.228 20 0 BCADRP C([C@@H]1C[NH2+]CCO1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662277575 412069017 /nfs/dbraw/zinc/06/90/17/412069017.db2.gz QFSVZJXDXLPINB-QWHCGFSZSA-N 2 0 239.363 0.050 20 0 BCADRP CC[C@@](C)([NH2+]Cc1cncn1C)C(N)=O ZINC000336694800 171175350 /nfs/dbraw/zinc/17/53/50/171175350.db2.gz NNSNQULXBWLFNN-SNVBAGLBSA-N 2 0 210.281 0.164 20 0 BCADRP CC[C@@]1(C(=O)N(C)[C@@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000184074928 171194675 /nfs/dbraw/zinc/19/46/75/171194675.db2.gz OQAPIBIOGQHIIM-PWSUYJOCSA-N 2 0 225.336 0.339 20 0 BCADRP OCC1([NH2+]CCCc2ccncc2)CC[NH2+]CC1 ZINC000662284952 412077119 /nfs/dbraw/zinc/07/71/19/412077119.db2.gz SCCAUXZAYYPDCU-UHFFFAOYSA-N 2 0 249.358 0.718 20 0 BCADRP CC[C@@]1(C(=O)N2CC[C@@H](C[NH2+]C)C2)CC[NH2+]C1 ZINC000360465650 171195977 /nfs/dbraw/zinc/19/59/77/171195977.db2.gz GSRRZSBJNUXTGJ-WCQYABFASA-N 2 0 239.363 0.444 20 0 BCADRP CC[C@@]1(C(=O)NCc2[nH]cnc2C)CCC[NH2+]1 ZINC000274637069 171196484 /nfs/dbraw/zinc/19/64/84/171196484.db2.gz SOBMGBZPSFXLJX-LBPRGKRZSA-N 2 0 236.319 0.867 20 0 BCADRP CC[C@@]1(C(=O)NC[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000360468511 171196522 /nfs/dbraw/zinc/19/65/22/171196522.db2.gz WDBKDALHRCGODK-WCQYABFASA-N 2 0 239.363 0.492 20 0 BCADRP CC[C@@]1(C(=O)NCC(C)(C)[NH3+])CCC[NH2+]1 ZINC000184075441 171196585 /nfs/dbraw/zinc/19/65/85/171196585.db2.gz UDIDOUOTIQNVMQ-NSHDSACASA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@@]1(C(=O)N[C@H](C[NH3+])C2CC2)CCC[NH2+]1 ZINC000134369090 171197838 /nfs/dbraw/zinc/19/78/38/171197838.db2.gz IPBPMEWIUUEMQW-PWSUYJOCSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CNCCO2)C[C@@H]1C[NH3+] ZINC000662282399 412072406 /nfs/dbraw/zinc/07/24/06/412072406.db2.gz HEZBNYMWEDDTTK-MROQNXINSA-N 2 0 241.379 0.280 20 0 BCADRP CC[C@H](C(=O)N(C)[C@@H](C)C[NH3+])[NH+](CC)CC ZINC000359429347 171222269 /nfs/dbraw/zinc/22/22/69/171222269.db2.gz RFLSGBYQNVTPTO-WDEREUQCSA-N 2 0 229.368 0.912 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[NH+](C)C ZINC000366282035 171226241 /nfs/dbraw/zinc/22/62/41/171226241.db2.gz FCOANYIFZPERPB-SDDRHHMPSA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@H](C(=O)NCC[N@H+](C)CC)[NH+](C)C ZINC000125220103 171228939 /nfs/dbraw/zinc/22/89/39/171228939.db2.gz WYJVBGSQRKVJRS-SNVBAGLBSA-N 2 0 215.341 0.395 20 0 BCADRP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000126463038 171229169 /nfs/dbraw/zinc/22/91/69/171229169.db2.gz CBUDERRNLUKJAS-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP CC[C@H](C(=O)NC[C@H](C)C[NH+](C)C)[NH+](C)C ZINC000341258022 171229377 /nfs/dbraw/zinc/22/93/77/171229377.db2.gz KTGAYGOQTYOTIG-WDEREUQCSA-N 2 0 229.368 0.641 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000338963480 171231409 /nfs/dbraw/zinc/23/14/09/171231409.db2.gz KCEDLNMJVPFPHL-QJPTWQEYSA-N 2 0 241.379 0.926 20 0 BCADRP OCC1([NH2+]CC[C@H]2CCCO2)CC[NH2+]CC1 ZINC000662283332 412074898 /nfs/dbraw/zinc/07/48/98/412074898.db2.gz IANQTXQUNDBSCX-LLVKDONJSA-N 2 0 228.336 0.260 20 0 BCADRP CC[C@H](C)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000037482577 171273048 /nfs/dbraw/zinc/27/30/48/171273048.db2.gz QNJKWWFIGSFLLL-LBPRGKRZSA-N 2 0 213.369 0.870 20 0 BCADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291922 412082550 /nfs/dbraw/zinc/08/25/50/412082550.db2.gz ARPBGKGEYICAMS-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000365049027 171307164 /nfs/dbraw/zinc/30/71/64/171307164.db2.gz RQXWERDHLXSZDF-JQWIXIFHSA-N 2 0 245.342 0.535 20 0 BCADRP CNC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291175 412079881 /nfs/dbraw/zinc/07/98/81/412079881.db2.gz CPYYEKGRUAWHBX-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP [NH3+]CCN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291327 412080001 /nfs/dbraw/zinc/08/00/01/412080001.db2.gz DWFFFHIZASPSKJ-GFCCVEGCSA-N 2 0 211.353 0.657 20 0 BCADRP CN(C[C@H]1CCC2(C[NH2+]C2)O1)CC(C)(C)[NH3+] ZINC000662293283 412081546 /nfs/dbraw/zinc/08/15/46/412081546.db2.gz FTTHNEGNSNKIJI-SNVBAGLBSA-N 2 0 227.352 0.177 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000020217842 171370183 /nfs/dbraw/zinc/37/01/83/171370183.db2.gz BESCCYVNRMPBFO-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000364775515 171370995 /nfs/dbraw/zinc/37/09/95/171370995.db2.gz HYPOGRBTDRMZEI-HBNTYKKESA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)C1CC[NH+](C)CC1 ZINC000040458337 171393508 /nfs/dbraw/zinc/39/35/08/171393508.db2.gz FYRFSERMHKRZGQ-JQWIXIFHSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365227472 171393850 /nfs/dbraw/zinc/39/38/50/171393850.db2.gz RTSHAIMCLOICPU-USZNOCQGSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000248865243 171396280 /nfs/dbraw/zinc/39/62/80/171396280.db2.gz NACZGKGFOFYYJN-NAKRPEOUSA-N 2 0 227.352 0.617 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000662388877 412139618 /nfs/dbraw/zinc/13/96/18/412139618.db2.gz SULFGAWDRHNJAB-SNVBAGLBSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000662387712 412139758 /nfs/dbraw/zinc/13/97/58/412139758.db2.gz JHTUXWKSHBROIO-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP [NH3+]CCN1C[C@@H]([NH3+])CCc2ccccc21 ZINC000662303230 412088210 /nfs/dbraw/zinc/08/82/10/412088210.db2.gz VBSRZIQGQNLBHQ-NSHDSACASA-N 2 0 205.305 0.725 20 0 BCADRP C[N@H+](CCOCC[NH3+])CC1=CCCOC1 ZINC000662307103 412092878 /nfs/dbraw/zinc/09/28/78/412092878.db2.gz WCHKOSPFVPAWJF-UHFFFAOYSA-N 2 0 214.309 0.240 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000662390115 412141630 /nfs/dbraw/zinc/14/16/30/412141630.db2.gz IBDKYBYFDNYUHY-UTUOFQBUSA-N 2 0 239.363 0.727 20 0 BCADRP FCC[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000662311040 412094347 /nfs/dbraw/zinc/09/43/47/412094347.db2.gz PXZKANKNEPRIFV-ZDUSSCGKSA-N 2 0 243.370 0.963 20 0 BCADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662314699 412095395 /nfs/dbraw/zinc/09/53/95/412095395.db2.gz AXTOXIAIBVVBOU-QJPTWQEYSA-N 2 0 210.321 0.564 20 0 BCADRP C[NH2+]CCC[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662318014 412099230 /nfs/dbraw/zinc/09/92/30/412099230.db2.gz VYJHELDVIASTGM-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP N[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000662323120 412100522 /nfs/dbraw/zinc/10/05/22/412100522.db2.gz LCQGUXDOBUDULH-QJPTWQEYSA-N 2 0 229.343 0.747 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000662389451 412142018 /nfs/dbraw/zinc/14/20/18/412142018.db2.gz XOZNIJCZYBVKFJ-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH+](C)CCC[C@H]1C[N@H+](CCCCO)CCO1 ZINC000662324090 412102280 /nfs/dbraw/zinc/10/22/80/412102280.db2.gz UONPZHONEQVZGR-ZDUSSCGKSA-N 2 0 244.379 0.802 20 0 BCADRP N[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CC[C@H]1F ZINC000662325926 412103175 /nfs/dbraw/zinc/10/31/75/412103175.db2.gz LMCGYDNDNQYLPI-HBNTYKKESA-N 2 0 215.316 0.357 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CC1(C)C ZINC000662330828 412104887 /nfs/dbraw/zinc/10/48/87/412104887.db2.gz ILUNCFJNHNAQRU-LBPRGKRZSA-N 2 0 225.380 0.870 20 0 BCADRP [NH3+]CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662390907 412142078 /nfs/dbraw/zinc/14/20/78/412142078.db2.gz SPOUOPOXSWESQC-LBPRGKRZSA-N 2 0 247.342 0.754 20 0 BCADRP CN(CC[C@@H]1CC[NH2+]C1)[C@@H](C[NH3+])C(F)(F)F ZINC000662331715 412105970 /nfs/dbraw/zinc/10/59/70/412105970.db2.gz QAVGFCHFFKNLRW-IUCAKERBSA-N 2 0 239.285 0.807 20 0 BCADRP C[NH2+]CCCN(C)[C@H](C[NH3+])C(F)(F)F ZINC000662332095 412106024 /nfs/dbraw/zinc/10/60/24/412106024.db2.gz NIXSTXRICFFACL-SSDOTTSWSA-N 2 0 213.247 0.417 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000662389439 412142186 /nfs/dbraw/zinc/14/21/86/412142186.db2.gz XIZNJNVNQZFTEJ-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000662364298 412123663 /nfs/dbraw/zinc/12/36/63/412123663.db2.gz XOGBLVZAXXGQBC-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000662393210 412142870 /nfs/dbraw/zinc/14/28/70/412142870.db2.gz DCERGZXRUNUSKI-DGCLKSJQSA-N 2 0 245.326 0.781 20 0 BCADRP COC[C@H](CC[NH2+][C@H]1CCC[C@@H]1[NH3+])OC ZINC000665234338 412175116 /nfs/dbraw/zinc/17/51/16/412175116.db2.gz BJIAHULTRKEDEZ-DCAQKATOSA-N 2 0 216.325 0.507 20 0 BCADRP C[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C2)[C@H]2CCC[C@H]21 ZINC000665241610 412185598 /nfs/dbraw/zinc/18/55/98/412185598.db2.gz STSMDFUDXQTYRF-QNWHQSFQSA-N 2 0 223.364 0.811 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000662474328 412187919 /nfs/dbraw/zinc/18/79/19/412187919.db2.gz ZAILDWFIQHJNQY-DCAQKATOSA-N 2 0 227.352 0.535 20 0 BCADRP CO[C@@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000665244757 412188692 /nfs/dbraw/zinc/18/86/92/412188692.db2.gz VRHPJVWSOSQCPG-FIQHERPVSA-N 2 0 212.337 0.999 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH2+]C(C)C)C1 ZINC000662483473 412190568 /nfs/dbraw/zinc/19/05/68/412190568.db2.gz VLWVWEYYEGSOSX-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662518196 412202986 /nfs/dbraw/zinc/20/29/86/412202986.db2.gz AVSPGUKGEAQGHI-VWYCJHECSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000662520283 412203040 /nfs/dbraw/zinc/20/30/40/412203040.db2.gz HEJSPPCXPWQBJO-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H](O)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000665261957 412203619 /nfs/dbraw/zinc/20/36/19/412203619.db2.gz PMLPREZNXTZJHF-AXFHLTTASA-N 2 0 200.326 0.864 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000662530339 412204899 /nfs/dbraw/zinc/20/48/99/412204899.db2.gz MDILGYRIUKPXLN-NWDGAFQWSA-N 2 0 237.347 0.420 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000662527954 412205449 /nfs/dbraw/zinc/20/54/49/412205449.db2.gz HNKVLAHIFKZSFD-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000662542654 412210024 /nfs/dbraw/zinc/21/00/24/412210024.db2.gz RFYKQMPYKXCBRG-LLVKDONJSA-N 2 0 227.352 0.537 20 0 BCADRP CCCN(C(=O)[C@@H](CC)[NH2+]C)C1CC[NH2+]CC1 ZINC000662547611 412211109 /nfs/dbraw/zinc/21/11/09/412211109.db2.gz BIIGWYBQCXITTP-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000665272576 412213085 /nfs/dbraw/zinc/21/30/85/412213085.db2.gz HSHRPIRMVKWEPU-GARJFASQSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCC(=O)N2)CC1 ZINC000665272934 412213140 /nfs/dbraw/zinc/21/31/40/412213140.db2.gz NSRVMKICDZPLRJ-ILDUYXDCSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662394988 412144335 /nfs/dbraw/zinc/14/43/35/412144335.db2.gz ALRBDPHJLBVQAB-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2CCC[NH2+]C2)CC2(CCC2)C1 ZINC000662396011 412145843 /nfs/dbraw/zinc/14/58/43/412145843.db2.gz RHBJBLOIQBVVJT-SNVBAGLBSA-N 2 0 237.347 0.516 20 0 BCADRP CC[NH2+]CCCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662400002 412148733 /nfs/dbraw/zinc/14/87/33/412148733.db2.gz YCELFEIFDFPWEE-UHFFFAOYSA-N 2 0 239.363 0.777 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)C1CC[NH2+]CC1 ZINC000662399989 412148968 /nfs/dbraw/zinc/14/89/68/412148968.db2.gz GHWMYFSADHHTDX-UHFFFAOYSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000662404192 412150321 /nfs/dbraw/zinc/15/03/21/412150321.db2.gz QBUVSHMJRGSKDN-IJLUTSLNSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662403730 412150662 /nfs/dbraw/zinc/15/06/62/412150662.db2.gz IHSHNXHOXDMLHJ-JTQLQIEISA-N 2 0 237.347 0.468 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000662405104 412151690 /nfs/dbraw/zinc/15/16/90/412151690.db2.gz VIOWFKODMRXVBT-NEPJUHHUSA-N 2 0 241.379 0.805 20 0 BCADRP C[NH2+]CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662408744 412152942 /nfs/dbraw/zinc/15/29/42/412152942.db2.gz ZOECQQMZUXPOAJ-GFCCVEGCSA-N 2 0 233.315 0.557 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000662412663 412155985 /nfs/dbraw/zinc/15/59/85/412155985.db2.gz RTVZRQLZKIPRQI-SNVBAGLBSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000662412484 412156087 /nfs/dbraw/zinc/15/60/87/412156087.db2.gz GXDXYJSRQVCECI-SRVKXCTJSA-N 2 0 233.315 0.540 20 0 BCADRP CN(C(=O)C1([NH2+]C2CC2)CCC1)[C@@H]1CC[NH2+]C1 ZINC000662415057 412156943 /nfs/dbraw/zinc/15/69/43/412156943.db2.gz MDEMJYRSNHHTOM-LLVKDONJSA-N 2 0 237.347 0.481 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000662413740 412157121 /nfs/dbraw/zinc/15/71/21/412157121.db2.gz ITJMLDQKMXQYEO-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000662414221 412157226 /nfs/dbraw/zinc/15/72/26/412157226.db2.gz WRTFZVFPBNBYGI-VXGBXAGGSA-N 2 0 235.331 0.801 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000662415627 412157403 /nfs/dbraw/zinc/15/74/03/412157403.db2.gz IJIQFDKEDFJMCH-KXUCPTDWSA-N 2 0 213.325 0.193 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000662418865 412159491 /nfs/dbraw/zinc/15/94/91/412159491.db2.gz XPQLXIWRPZAXMN-VHSXEESVSA-N 2 0 215.341 0.474 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)c1cccc2c1CC[NH2+]C2 ZINC000662418113 412159874 /nfs/dbraw/zinc/15/98/74/412159874.db2.gz PINALFBVRGEVQP-JTQLQIEISA-N 2 0 247.342 0.752 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)CC1([NH3+])CC1)C1CC1 ZINC000662417957 412160037 /nfs/dbraw/zinc/16/00/37/412160037.db2.gz YHBWLFQLUWEIEM-JTQLQIEISA-N 2 0 211.309 0.111 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000662419191 412160044 /nfs/dbraw/zinc/16/00/44/412160044.db2.gz FQOIOXGPKINTSG-NWDGAFQWSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CC1([NH3+])CC1 ZINC000662421878 412161144 /nfs/dbraw/zinc/16/11/44/412161144.db2.gz QUJPSGQZLBYFLV-ZJUUUORDSA-N 2 0 225.336 0.502 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662420800 412161188 /nfs/dbraw/zinc/16/11/88/412161188.db2.gz IRDNKNMAVHALKH-GWOFURMSSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662420552 412161729 /nfs/dbraw/zinc/16/17/29/412161729.db2.gz ATVKWDJFUSTTTO-ZJUUUORDSA-N 2 0 225.336 0.454 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662422054 412162581 /nfs/dbraw/zinc/16/25/81/412162581.db2.gz HMHGHCCCWRNXBJ-NHCYSSNCSA-N 2 0 227.352 0.603 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000662425226 412165036 /nfs/dbraw/zinc/16/50/36/412165036.db2.gz YSKAMNNDNCOPAH-GUBZILKMSA-N 2 0 213.325 0.180 20 0 BCADRP COC1CC(CC[NH2+][C@@H](C)C2C[NH2+]C2)C1 ZINC000665230869 412168413 /nfs/dbraw/zinc/16/84/13/412168413.db2.gz XJZQLIHNTQCAEA-BMQDGWLCSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@@H]([NH2+]Cc1cccc(N)c1)C1C[NH2+]C1 ZINC000665232635 412170535 /nfs/dbraw/zinc/17/05/35/412170535.db2.gz QSCMPKQBPHDBHF-SECBINFHSA-N 2 0 205.305 0.966 20 0 BCADRP C[C@H]([NH2+]Cc1cccc(N)c1)C1C[NH2+]C1 ZINC000665232636 412170579 /nfs/dbraw/zinc/17/05/79/412170579.db2.gz QSCMPKQBPHDBHF-VIFPVBQESA-N 2 0 205.305 0.966 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@H](CO)C1CCC1 ZINC000665235113 412173871 /nfs/dbraw/zinc/17/38/71/412173871.db2.gz PXYRWPHOZKALBQ-NWDGAFQWSA-N 2 0 230.352 0.491 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CO)C1CCC1 ZINC000665235521 412174141 /nfs/dbraw/zinc/17/41/41/412174141.db2.gz WYYUMESUWRYNRO-NGZCFLSTSA-N 2 0 200.326 0.863 20 0 BCADRP [NH3+]CC1(C(=O)NCC2([NH3+])CCCC2)CCCC1 ZINC000662647766 412255106 /nfs/dbraw/zinc/25/51/06/412255106.db2.gz CYGIDVRYYILNCG-UHFFFAOYSA-N 2 0 239.363 0.893 20 0 BCADRP [NH3+]C1(CC(=O)NCC2([NH3+])CCCC2)CCC1 ZINC000662649758 412255301 /nfs/dbraw/zinc/25/53/01/412255301.db2.gz RXHZXGDPKCFSKO-UHFFFAOYSA-N 2 0 225.336 0.646 20 0 BCADRP C[C@@H](C(=O)NCC1([NH3+])CCCC1)[C@H](C)[NH3+] ZINC000662648520 412256260 /nfs/dbraw/zinc/25/62/60/412256260.db2.gz IAWUTBCLJNNVRG-BDAKNGLRSA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+]C1(CNC(=O)C[NH2+]C2CC2)CCCC1 ZINC000662654222 412258602 /nfs/dbraw/zinc/25/86/02/412258602.db2.gz GWRKCWSYKNOLBC-UHFFFAOYSA-N 2 0 211.309 0.126 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662671480 412265722 /nfs/dbraw/zinc/26/57/22/412265722.db2.gz NGRMLFFUDXXYQD-XYPYZODXSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662674049 412267620 /nfs/dbraw/zinc/26/76/20/412267620.db2.gz XPOCSIUGDPEKSO-SRVKXCTJSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662679779 412268064 /nfs/dbraw/zinc/26/80/64/412268064.db2.gz BSESZVRCBQWMJY-SRVKXCTJSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)CC1CC[NH2+]CC1 ZINC000662683252 412269309 /nfs/dbraw/zinc/26/93/09/412269309.db2.gz PPYTVXMESBEHBO-UHFFFAOYSA-N 2 0 237.347 0.326 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662683282 412269848 /nfs/dbraw/zinc/26/98/48/412269848.db2.gz QKOQYDZCRWUMER-PCQVFGIUSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000662682656 412269958 /nfs/dbraw/zinc/26/99/58/412269958.db2.gz NFNCSLKYRPQUFI-AKJDGMEZSA-N 2 0 237.347 0.468 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000662688304 412271977 /nfs/dbraw/zinc/27/19/77/412271977.db2.gz OAGYRNSJVNFPFO-SRVKXCTJSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)CC1([NH3+])CC1)C1CC1 ZINC000662688936 412272402 /nfs/dbraw/zinc/27/24/02/412272402.db2.gz ROXZLPXJWDLYKT-SNVBAGLBSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000662694274 412273485 /nfs/dbraw/zinc/27/34/85/412273485.db2.gz ZTMZBFFBJOAQRL-DCAQKATOSA-N 2 0 248.330 0.853 20 0 BCADRP COc1ccncc1NC(=O)CC1([NH3+])CC1 ZINC000662701512 412275161 /nfs/dbraw/zinc/27/51/61/412275161.db2.gz QFRHYBMXXPJHBC-UHFFFAOYSA-N 2 0 221.260 0.910 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000662697866 412275191 /nfs/dbraw/zinc/27/51/91/412275191.db2.gz DOUKLQUBPHSHEI-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]C1(CC(=O)N2CCC(c3ncc[nH]3)CC2)CC1 ZINC000662699546 412276009 /nfs/dbraw/zinc/27/60/09/412276009.db2.gz BSOBOHHHDQMROP-UHFFFAOYSA-N 2 0 248.330 0.997 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000662703779 412276327 /nfs/dbraw/zinc/27/63/27/412276327.db2.gz NGHHWWLQDHLRNO-CMPLNLGQSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000662703783 412276894 /nfs/dbraw/zinc/27/68/94/412276894.db2.gz NGHHWWLQDHLRNO-PWSUYJOCSA-N 2 0 241.379 0.831 20 0 BCADRP O=C(NCC12CC(C1)C[NH2+]2)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000662714602 412280779 /nfs/dbraw/zinc/28/07/79/412280779.db2.gz JKKGBQVMCIEHJO-QCKFIBFJSA-N 2 0 249.358 0.244 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]1C[C@H]([NH3+])C1)C1CCCC1 ZINC000662721056 412283358 /nfs/dbraw/zinc/28/33/58/412283358.db2.gz PSXJXERQPRRPMZ-XYPYZODXSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662726023 412284341 /nfs/dbraw/zinc/28/43/41/412284341.db2.gz YJZQQXFYLVHETQ-GHMZBOCLSA-N 2 0 229.368 0.849 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662728481 412285426 /nfs/dbraw/zinc/28/54/26/412285426.db2.gz SCEKCBMEWAPFCE-LLVKDONJSA-N 2 0 229.368 0.818 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)CC1(C[NH3+])CC1 ZINC000662730994 412286377 /nfs/dbraw/zinc/28/63/77/412286377.db2.gz WCDIXBCDUMFVET-SNVBAGLBSA-N 2 0 227.352 0.605 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C)C[NH3+] ZINC000662730703 412286541 /nfs/dbraw/zinc/28/65/41/412286541.db2.gz NBSVOBGZHGGDGT-RKDXNWHRSA-N 2 0 201.314 0.071 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000662730457 412286643 /nfs/dbraw/zinc/28/66/43/412286643.db2.gz FWLCNFULHKODOP-GHMZBOCLSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C(C)(C)[NH3+] ZINC000662730812 412286830 /nfs/dbraw/zinc/28/68/30/412286830.db2.gz QATJZAICZZYMNL-MRVPVSSYSA-N 2 0 201.314 0.213 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000662731083 412286956 /nfs/dbraw/zinc/28/69/56/412286956.db2.gz XVZFYYJJQFFYOU-DMDPSCGWSA-N 2 0 239.363 0.476 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000662556970 412216423 /nfs/dbraw/zinc/21/64/23/412216423.db2.gz XZTPZRQTIMJPKP-AXFHLTTASA-N 2 0 243.351 0.125 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000662556401 412216680 /nfs/dbraw/zinc/21/66/80/412216680.db2.gz QOTLZGAIPUXIQQ-CHWFTXMASA-N 2 0 225.336 0.500 20 0 BCADRP C[C@H]([NH3+])CNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662558938 412217113 /nfs/dbraw/zinc/21/71/13/412217113.db2.gz MXEXSYBYQZGCJU-ZETCQYMHSA-N 2 0 239.344 0.471 20 0 BCADRP C[C@H]([NH3+])CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662558466 412217632 /nfs/dbraw/zinc/21/76/32/412217632.db2.gz FYXJIALGJPVKPF-QMMMGPOBSA-N 2 0 219.288 0.367 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000662559554 412217679 /nfs/dbraw/zinc/21/76/79/412217679.db2.gz AQSPIBNTCDJGEE-KXUCPTDWSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000662559448 412217716 /nfs/dbraw/zinc/21/77/16/412217716.db2.gz ACACTQFQMDZFLC-DBIOUOCHSA-N 2 0 225.336 0.371 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000662560361 412218948 /nfs/dbraw/zinc/21/89/48/412218948.db2.gz IOHOWOVKMGIYPE-GUBZILKMSA-N 2 0 231.315 0.143 20 0 BCADRP CCS(=O)(=O)C1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CC1 ZINC000665275877 412219726 /nfs/dbraw/zinc/21/97/26/412219726.db2.gz UYGJARBJCKDYLZ-VHSXEESVSA-N 2 0 248.392 0.669 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000662564876 412219875 /nfs/dbraw/zinc/21/98/75/412219875.db2.gz AVHYEGJRNNEQBN-MNOVXSKESA-N 2 0 245.367 0.372 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000662572095 412220264 /nfs/dbraw/zinc/22/02/64/412220264.db2.gz MDRBZKPULDAOCE-RNFRBKRXSA-N 2 0 241.257 0.380 20 0 BCADRP C[C@H](NCC12CC(C1)C[NH2+]2)[C@@H]1CCCC[NH2+]1 ZINC000665280368 412221054 /nfs/dbraw/zinc/22/10/54/412221054.db2.gz ZROZVSAEFMGUDN-QCXCNERSSA-N 2 0 223.364 0.859 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000662565522 412221094 /nfs/dbraw/zinc/22/10/94/412221094.db2.gz OKVBNGUGZCSEMS-MEWQQHAOSA-N 2 0 239.363 0.332 20 0 BCADRP C[C@@H](NC(=O)c1cccc2c1C[NH2+]C2)[C@H](C)[NH3+] ZINC000662565930 412221438 /nfs/dbraw/zinc/22/14/38/412221438.db2.gz ASXGSMHGCKCVSS-DTWKUNHWSA-N 2 0 233.315 0.755 20 0 BCADRP C[C@@H](C[C@@H]1COCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000665279464 412221490 /nfs/dbraw/zinc/22/14/90/412221490.db2.gz CWYCGTSFHGKZFI-GMKTYKIGSA-N 2 0 239.363 0.095 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665280221 412224813 /nfs/dbraw/zinc/22/48/13/412224813.db2.gz WEUURQTWAJCFHU-CMOBGSAGSA-N 2 0 223.364 0.846 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000662572716 412224862 /nfs/dbraw/zinc/22/48/62/412224862.db2.gz CMODFMRULIOMJA-MNOVXSKESA-N 2 0 227.352 0.428 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665280222 412224975 /nfs/dbraw/zinc/22/49/75/412224975.db2.gz WEUURQTWAJCFHU-QBHFIFKDSA-N 2 0 223.364 0.846 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000662584355 412228415 /nfs/dbraw/zinc/22/84/15/412228415.db2.gz NUSJEZNKAGZVFR-NWDGAFQWSA-N 2 0 239.363 0.620 20 0 BCADRP CC[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665289045 412235109 /nfs/dbraw/zinc/23/51/09/412235109.db2.gz DSYMSJUPSOCTHG-ZETCQYMHSA-N 2 0 210.281 0.529 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C[C@@H]1CCC[NH2+]1 ZINC000662604259 412236830 /nfs/dbraw/zinc/23/68/30/412236830.db2.gz DMZJZKFYHLBXDE-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H](CC1CC1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290593 412237318 /nfs/dbraw/zinc/23/73/18/412237318.db2.gz DKVOKKSRLYHUOD-MRVPVSSYSA-N 2 0 236.319 0.919 20 0 BCADRP CC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)C1CC1 ZINC000665292191 412237470 /nfs/dbraw/zinc/23/74/70/412237470.db2.gz VLPNJKUALJTUPW-JTQLQIEISA-N 2 0 236.319 0.919 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000662605624 412237499 /nfs/dbraw/zinc/23/74/99/412237499.db2.gz PJOIMGVAYXDAFJ-CABZTGNLSA-N 2 0 225.336 0.182 20 0 BCADRP CO[C@@H](C)[C@@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291568 412237544 /nfs/dbraw/zinc/23/75/44/412237544.db2.gz FWYJTOQRNQYORJ-SFYZADRCSA-N 2 0 240.307 0.154 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)[C@H]1C ZINC000665293044 412238126 /nfs/dbraw/zinc/23/81/26/412238126.db2.gz PSAFGCDKHNKUDJ-WEDXCCLWSA-N 2 0 236.319 0.775 20 0 BCADRP C[NH2+]C[C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000665295224 412242473 /nfs/dbraw/zinc/24/24/73/412242473.db2.gz ALBVPIUYSWQXBA-GHMZBOCLSA-N 3 0 213.369 0.914 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000662620800 412244255 /nfs/dbraw/zinc/24/42/55/412244255.db2.gz BNDBUEJRLQJLJS-LLVKDONJSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000662618989 412244387 /nfs/dbraw/zinc/24/43/87/412244387.db2.gz HEXZWDRJZMKLQT-NXEZZACHSA-N 2 0 225.336 0.337 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000662618990 412244641 /nfs/dbraw/zinc/24/46/41/412244641.db2.gz HEXZWDRJZMKLQT-VHSXEESVSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H](CCNC(=O)C(C)(C)[NH3+])[NH+](C)C ZINC000662632359 412247082 /nfs/dbraw/zinc/24/70/82/412247082.db2.gz CNZOQROLSPMMBU-QMMMGPOBSA-N 2 0 201.314 0.180 20 0 BCADRP C[NH2+]C[C@H](C)N[C@@H](C)c1c[nH+]ccc1N ZINC000665299904 412248655 /nfs/dbraw/zinc/24/86/55/412248655.db2.gz VFSVPVFQJRBQQA-IUCAKERBSA-N 2 0 208.309 0.753 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662633983 412251574 /nfs/dbraw/zinc/25/15/74/412251574.db2.gz PGQOKMJVMWVEQP-MNOVXSKESA-N 2 0 245.367 0.195 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662633656 412251592 /nfs/dbraw/zinc/25/15/92/412251592.db2.gz NAZXLGIARSLTBD-ZJUUUORDSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@@H](CCNC(=O)C1([NH3+])CCC1)[NH+](C)C ZINC000662634328 412251704 /nfs/dbraw/zinc/25/17/04/412251704.db2.gz RDWZSACKFJEHKF-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H](CCNC(=O)CC[NH2+]C1CC1)[NH+](C)C ZINC000662636460 412252352 /nfs/dbraw/zinc/25/23/52/412252352.db2.gz YRUNTWIWFJUTLG-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000662793371 412305486 /nfs/dbraw/zinc/30/54/86/412305486.db2.gz GMOJYOJMZMHECN-SRVKXCTJSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000662818121 412306687 /nfs/dbraw/zinc/30/66/87/412306687.db2.gz PIDAWODBENXVRB-RCWTZXSCSA-N 2 0 227.352 0.426 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662815664 412308585 /nfs/dbraw/zinc/30/85/85/412308585.db2.gz LNKRGKHSRWTOCC-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000662820942 412310877 /nfs/dbraw/zinc/31/08/77/412310877.db2.gz BVPCXCGPZNYHJQ-HAQNSBGRSA-N 2 0 233.315 0.499 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000662824503 412311551 /nfs/dbraw/zinc/31/15/51/412311551.db2.gz WEBCJGWJOXZHAZ-QWRGUYRKSA-N 2 0 239.363 0.775 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000662823943 412311726 /nfs/dbraw/zinc/31/17/26/412311726.db2.gz YYMANRVIYPXPNJ-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000662824052 412311741 /nfs/dbraw/zinc/31/17/41/412311741.db2.gz VMRAGSQTOZVBEH-NSHDSACASA-N 2 0 239.363 0.775 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662823177 412311885 /nfs/dbraw/zinc/31/18/85/412311885.db2.gz OWFNLDZCTOSUGE-XYPYZODXSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662825062 412313084 /nfs/dbraw/zinc/31/30/84/412313084.db2.gz YKKUMTWSARVIDV-NXEZZACHSA-N 2 0 239.363 0.890 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662825063 412313132 /nfs/dbraw/zinc/31/31/32/412313132.db2.gz YKKUMTWSARVIDV-UWVGGRQHSA-N 2 0 239.363 0.890 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000662828999 412313643 /nfs/dbraw/zinc/31/36/43/412313643.db2.gz KEVNUMIGZBOTCC-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662829533 412313851 /nfs/dbraw/zinc/31/38/51/412313851.db2.gz NFSXPAHFUREWLE-JOCQHMNTSA-N 2 0 247.342 0.760 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H]1CC[NH3+] ZINC000662829662 412314108 /nfs/dbraw/zinc/31/41/08/412314108.db2.gz OWQQGHVNZZFQCT-DDHJBXDOSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662835668 412316788 /nfs/dbraw/zinc/31/67/88/412316788.db2.gz RJFCXXIHBMZABX-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCCC[NH2+]1 ZINC000662842977 412318165 /nfs/dbraw/zinc/31/81/65/412318165.db2.gz OAXUQJKZOHGGAG-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H](CCNC(=O)CC1([NH3+])CC1)[NH+](C)C ZINC000662857333 412326501 /nfs/dbraw/zinc/32/65/01/412326501.db2.gz ADDRPWWMHVDRIJ-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H](CCNC(=O)[C@@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000662860921 412328241 /nfs/dbraw/zinc/32/82/41/412328241.db2.gz VNOOMKPAKHIILH-AAEUAGOBSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H](C(=O)NCC1([NH3+])CCCC1)[NH+](C)C ZINC000662862603 412329215 /nfs/dbraw/zinc/32/92/15/412329215.db2.gz DEFKRDQAIKZNSW-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662875712 412331817 /nfs/dbraw/zinc/33/18/17/412331817.db2.gz MDXMGBOZCDZZSW-UHFFFAOYSA-N 2 0 249.358 0.598 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)C1([NH3+])CCCCC1 ZINC000662875114 412331885 /nfs/dbraw/zinc/33/18/85/412331885.db2.gz CDJIKFPEFXBUNM-UHFFFAOYSA-N 2 0 237.347 0.598 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662876551 412332920 /nfs/dbraw/zinc/33/29/20/412332920.db2.gz ZWZASRFTZYNIQN-YLXHPXFOSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662877012 412333690 /nfs/dbraw/zinc/33/36/90/412333690.db2.gz MRWAEIDTLBUIEF-UHFFFAOYSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@]1(C(=O)N2CC3CC2(C[NH3+])C3)CCC[NH2+]C1 ZINC000662876508 412333710 /nfs/dbraw/zinc/33/37/10/412333710.db2.gz YNEDLBNHOYEBNQ-YDGIUTOCSA-N 2 0 237.347 0.326 20 0 BCADRP C[C@@H]1[C@H](C(=O)NCC23CC(C2)C[NH2+]3)CC[N@@H+]1C ZINC000662923611 412347119 /nfs/dbraw/zinc/34/71/19/412347119.db2.gz QHNPHTQJASXXDO-YLXHPXFOSA-N 2 0 237.347 0.195 20 0 BCADRP [NH3+]C1(C(=O)NCC23CC(C2)C[NH2+]3)CCCC1 ZINC000662925087 412347551 /nfs/dbraw/zinc/34/75/51/412347551.db2.gz LVNGJJPKVBFXOL-UHFFFAOYSA-N 2 0 223.320 0.126 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662945114 412350875 /nfs/dbraw/zinc/35/08/75/412350875.db2.gz FOMWXYWGJMHNDD-NXEZZACHSA-N 2 0 245.342 0.649 20 0 BCADRP CC[C@]1(C(=O)N2CC[NH2+][C@H](C)C2)CC[NH2+]C1 ZINC000364167980 171710248 /nfs/dbraw/zinc/71/02/48/171710248.db2.gz DVXVNDLEBSYODO-PWSUYJOCSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)CC1CC[NH2+]CC1 ZINC000662954774 412353373 /nfs/dbraw/zinc/35/33/73/412353373.db2.gz ZJEYZLPXSQOMKI-VIFPVBQESA-N 2 0 213.325 0.100 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000662954530 412353527 /nfs/dbraw/zinc/35/35/27/412353527.db2.gz WBCGRROLJMMJOP-MNOVXSKESA-N 2 0 241.379 0.736 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000662954782 412353930 /nfs/dbraw/zinc/35/39/30/412353930.db2.gz ZRPPDHQHLQXMQH-JGVFFNPUSA-N 2 0 201.314 0.084 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000662953691 412353968 /nfs/dbraw/zinc/35/39/68/412353968.db2.gz OOVZCZUDZWQKPE-GXSJLCMTSA-N 2 0 221.304 0.411 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000662964715 412357547 /nfs/dbraw/zinc/35/75/47/412357547.db2.gz HOFBQCQAOCFHBR-VIFPVBQESA-N 2 0 236.319 0.485 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000662966055 412358107 /nfs/dbraw/zinc/35/81/07/412358107.db2.gz OHXXCLDDAISLGQ-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000662966396 412358311 /nfs/dbraw/zinc/35/83/11/412358311.db2.gz RDMBYDOGPSIUPO-NSHDSACASA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2nccn2C1 ZINC000662968137 412359642 /nfs/dbraw/zinc/35/96/42/412359642.db2.gz FOPJLPTXFPSBJX-NXEZZACHSA-N 2 0 236.319 0.170 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)c1conc1C(C)(C)[NH3+] ZINC000662970397 412360833 /nfs/dbraw/zinc/36/08/33/412360833.db2.gz XRRXHFYEBUNDNV-SSDOTTSWSA-N 2 0 240.307 0.206 20 0 BCADRP C[C@]1(NC(=O)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000663005619 412368096 /nfs/dbraw/zinc/36/80/96/412368096.db2.gz YLHGDYYLNNGCDO-LBPRGKRZSA-N 2 0 225.336 0.244 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662744918 412289660 /nfs/dbraw/zinc/28/96/60/412289660.db2.gz ADLKSBJDRZXZQY-OPRDCNLKSA-N 2 0 231.315 0.258 20 0 BCADRP [NH3+][C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)CC[C@H]1F ZINC000662748115 412289666 /nfs/dbraw/zinc/28/96/66/412289666.db2.gz LVQISVHHXAJHPF-OPRDCNLKSA-N 2 0 229.299 0.026 20 0 BCADRP C[C@H](NC(=O)CC1([NH3+])CC1)C(C)(C)C[NH+](C)C ZINC000662744831 412289839 /nfs/dbraw/zinc/28/98/39/412289839.db2.gz ICTIVENFBUUDRP-JTQLQIEISA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662747760 412289866 /nfs/dbraw/zinc/28/98/66/412289866.db2.gz APODSKNSDGDWAR-LNFKQOIKSA-N 2 0 243.326 0.402 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)CC2([NH3+])CC2)C1 ZINC000662746579 412290429 /nfs/dbraw/zinc/29/04/29/412290429.db2.gz QAJDMTBYIOXLEH-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP Cc1nc[nH]c1CNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662753153 412290943 /nfs/dbraw/zinc/29/09/43/412290943.db2.gz OTBLOHZEJZBWQC-UHFFFAOYSA-N 2 0 248.330 0.996 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662750053 412291267 /nfs/dbraw/zinc/29/12/67/412291267.db2.gz OPNAHWSKDXJXTA-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000662759320 412292845 /nfs/dbraw/zinc/29/28/45/412292845.db2.gz ZNKNUUVFWAPJAO-WDEREUQCSA-N 2 0 225.336 0.337 20 0 BCADRP [NH3+][C@@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)C1CC1 ZINC000662763430 412293565 /nfs/dbraw/zinc/29/35/65/412293565.db2.gz BHGFTEQZOKABJR-JTQLQIEISA-N 2 0 237.347 0.502 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662765097 412294870 /nfs/dbraw/zinc/29/48/70/412294870.db2.gz VRIYBQGGGNXUCV-VIFPVBQESA-N 2 0 225.336 0.502 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000662774186 412297967 /nfs/dbraw/zinc/29/79/67/412297967.db2.gz LZYWVLCVUXJIDX-ZJUUUORDSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662773900 412298059 /nfs/dbraw/zinc/29/80/59/412298059.db2.gz WIQUYGNGGRZQGU-GMTAPVOTSA-N 2 0 239.363 0.489 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCNc1cnccn1 ZINC000422892015 412299701 /nfs/dbraw/zinc/29/97/01/412299701.db2.gz XITKYZHJTRQMKC-WDEREUQCSA-N 2 0 235.335 0.606 20 0 BCADRP [NH3+]C1(CC(=O)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000662779814 412299839 /nfs/dbraw/zinc/29/98/39/412299839.db2.gz OUAUXBBYUNKIMJ-UHFFFAOYSA-N 2 0 237.347 0.470 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662778044 412299910 /nfs/dbraw/zinc/29/99/10/412299910.db2.gz BZCXEAZNJAOGID-OPRDCNLKSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CC1([NH3+])CC1 ZINC000662780954 412300036 /nfs/dbraw/zinc/30/00/36/412300036.db2.gz SVJBUZZFTMZDSL-KKZNHRDASA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000662782711 412300189 /nfs/dbraw/zinc/30/01/89/412300189.db2.gz GNXVKRMYBXOTFS-DTWKUNHWSA-N 2 0 211.309 0.111 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)CC1([NH3+])CC1 ZINC000662783180 412300474 /nfs/dbraw/zinc/30/04/74/412300474.db2.gz JRXBKAJKJYDZJI-MRVPVSSYSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662783479 412300704 /nfs/dbraw/zinc/30/07/04/412300704.db2.gz PISFBPSAJCPELI-ZJUUUORDSA-N 2 0 247.342 0.798 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662783474 412300926 /nfs/dbraw/zinc/30/09/26/412300926.db2.gz PISFBPSAJCPELI-UWVGGRQHSA-N 2 0 247.342 0.798 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662795123 412305036 /nfs/dbraw/zinc/30/50/36/412305036.db2.gz XAQWVDNWXXWZMI-DDHJBXDOSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@@]1(NC(=O)[C@@H]2CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC000663010014 412368615 /nfs/dbraw/zinc/36/86/15/412368615.db2.gz HMVSVCVSSPVVKE-CMPLNLGQSA-N 2 0 237.347 0.244 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663011326 412369973 /nfs/dbraw/zinc/36/99/73/412369973.db2.gz PJVKJFOMDWKHHN-GXFFZTMASA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000663012732 412371079 /nfs/dbraw/zinc/37/10/79/412371079.db2.gz YHTMWCCAAQPAOO-JBLDHEPKSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000663012733 412371289 /nfs/dbraw/zinc/37/12/89/412371289.db2.gz YHTMWCCAAQPAOO-NHCYSSNCSA-N 2 0 225.336 0.243 20 0 BCADRP CN(C(=O)C[NH+]1CCC(C[NH3+])CC1)C1CC1 ZINC000049305750 172308073 /nfs/dbraw/zinc/30/80/73/172308073.db2.gz VOQHTVCGLRMYPK-UHFFFAOYSA-N 2 0 225.336 0.278 20 0 BCADRP CN(C(=O)C[C@@H]1CCC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000364468739 172314126 /nfs/dbraw/zinc/31/41/26/172314126.db2.gz RPPVMQYVEMUYLG-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCC[NH2+]CC1 ZINC000364639378 172328381 /nfs/dbraw/zinc/32/83/81/172328381.db2.gz BNUGOZBTLLSSDA-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP CN(C)C(=[NH2+])NCc1cnc2n1CCCC2 ZINC000376730608 172353220 /nfs/dbraw/zinc/35/32/20/172353220.db2.gz YVXVOBJXRXUUOH-UHFFFAOYSA-N 2 0 221.308 0.805 20 0 BCADRP CN(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000043447906 172356606 /nfs/dbraw/zinc/35/66/06/172356606.db2.gz IXHRPQXFCATYSQ-UHFFFAOYSA-N 2 0 213.325 0.278 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000082594485 172357911 /nfs/dbraw/zinc/35/79/11/172357911.db2.gz IQDFVXJZJMQGDJ-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP C[NH+](C)C/C=C/C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000265708515 172399603 /nfs/dbraw/zinc/39/96/03/172399603.db2.gz UJWYFCIZTABJLK-MVIFTORASA-N 2 0 225.336 0.267 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)C[NH2+]CC1CC1 ZINC000037611756 172421877 /nfs/dbraw/zinc/42/18/77/172421877.db2.gz UYSDAPKYVTZCFW-UHFFFAOYSA-N 2 0 241.379 0.690 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055085993 172461693 /nfs/dbraw/zinc/46/16/93/172461693.db2.gz LSVKBBRDBNJDIJ-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000094647347 487624850 /nfs/dbraw/zinc/62/48/50/487624850.db2.gz RYJLOFNCVMQKGF-SDDRHHMPSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C1CC[NH2+]CC1)C1CC1 ZINC000237132665 172520217 /nfs/dbraw/zinc/52/02/17/172520217.db2.gz AFWDRXYEBDBBOC-LBPRGKRZSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH+]1CCC(CNC(=O)C[NH2+]CC2CC2)CC1 ZINC000044526616 172985942 /nfs/dbraw/zinc/98/59/42/172985942.db2.gz NCNLCSAEZALZFN-UHFFFAOYSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C3COC3)C2)CC1 ZINC000367234503 172991875 /nfs/dbraw/zinc/99/18/75/172991875.db2.gz PJUIFULEFLXBRU-LLVKDONJSA-N 2 0 239.363 0.143 20 0 BCADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@@H](O)C[C@H]1CO ZINC000364201945 173006912 /nfs/dbraw/zinc/00/69/12/173006912.db2.gz GZLCGEHZIFITKI-AVGNSLFASA-N 2 0 242.363 0.288 20 0 BCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000336595572 173012000 /nfs/dbraw/zinc/01/20/00/173012000.db2.gz XYXQKBYBSGSIQH-NSHDSACASA-N 2 0 225.336 0.245 20 0 BCADRP C[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000042165846 173012167 /nfs/dbraw/zinc/01/21/67/173012167.db2.gz UBBQALBAKWMWJB-NSHDSACASA-N 2 0 225.336 0.293 20 0 BCADRP C[N@@H+]1CCCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000020217564 173014981 /nfs/dbraw/zinc/01/49/81/173014981.db2.gz UBNQNFQVJKAMRG-UHFFFAOYSA-N 2 0 247.342 0.923 20 0 BCADRP C[NH+](C)C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC000353380700 173026320 /nfs/dbraw/zinc/02/63/20/173026320.db2.gz KRRZHNFFYBKCNS-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C(N)=O)CC1 ZINC000124648167 173027799 /nfs/dbraw/zinc/02/77/99/173027799.db2.gz SVJMIFFHNOCCBJ-GFCCVEGCSA-N 2 0 239.363 0.668 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CC1CC[NH2+]CC1 ZINC000226394532 173029942 /nfs/dbraw/zinc/02/99/42/173029942.db2.gz XIFDBFJSWFKFHA-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C3C[NH2+]C3)CC[C@H]21 ZINC000227334574 173035724 /nfs/dbraw/zinc/03/57/24/173035724.db2.gz OEALRTFTRUVKTM-ZYHUDNBSSA-N 2 0 237.347 0.149 20 0 BCADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOCCO)CC[C@@H]21 ZINC000129155400 173037107 /nfs/dbraw/zinc/03/71/07/173037107.db2.gz FTNBVPNCVNTAER-OLZOCXBDSA-N 2 0 242.363 0.411 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000226394561 173055804 /nfs/dbraw/zinc/05/58/04/173055804.db2.gz JIVOUGRSDHQHBF-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH+]1CCN(CCC[NH2+]CC2CC2)CC1 ZINC000036882441 173080396 /nfs/dbraw/zinc/08/03/96/173080396.db2.gz ZZZUHZSPSYRLPM-UHFFFAOYSA-N 2 0 211.353 0.624 20 0 BCADRP C[NH+]1CCN(CCC[NH2+]Cc2cc[nH]c2)CC1 ZINC000090994268 173079276 /nfs/dbraw/zinc/07/92/76/173079276.db2.gz VRWDCBGOUZGNFE-UHFFFAOYSA-N 2 0 236.363 0.742 20 0 BCADRP CN1CC[N@H+](CC2CC[NH2+]CC2)C(C)(C)C1=O ZINC000094865922 173080073 /nfs/dbraw/zinc/08/00/73/173080073.db2.gz YRNKJGPZSKYUCZ-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000041225821 173081071 /nfs/dbraw/zinc/08/10/71/173081071.db2.gz HYRHAZBCSXNXGC-UHFFFAOYSA-N 2 0 211.353 0.720 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000037484875 173115257 /nfs/dbraw/zinc/11/52/57/173115257.db2.gz HAWPYXPQEOBVTQ-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)[C@@H]([NH2+]CCN1CC[NH2+]CC1)C1CC1 ZINC000564821986 322930596 /nfs/dbraw/zinc/93/05/96/322930596.db2.gz AVMTWXHRNANQHZ-CYBMUJFWSA-N 2 0 225.380 0.916 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000051691784 173145750 /nfs/dbraw/zinc/14/57/50/173145750.db2.gz MITZELJONFIRHP-SNVBAGLBSA-N 2 0 224.352 0.995 20 0 BCADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC000228544508 173150885 /nfs/dbraw/zinc/15/08/85/173150885.db2.gz GLJOZNYXFRAZIE-QCNOEVLYSA-N 2 0 237.347 0.276 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]CCCO)[C@@H]2CCC[C@H]21 ZINC000308902258 173153318 /nfs/dbraw/zinc/15/33/18/173153318.db2.gz BOFMZMICLHCMKT-SDDRHHMPSA-N 2 0 212.337 0.831 20 0 BCADRP C[NH+]1CCC[C@H]1CCN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000365873027 173198043 /nfs/dbraw/zinc/19/80/43/173198043.db2.gz LJPGXPLSAJBELA-MJBXVCDLSA-N 2 0 237.391 0.964 20 0 BCADRP CNC(=O)CCC[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000340709275 173238467 /nfs/dbraw/zinc/23/84/67/173238467.db2.gz HJURIMFXTULVJB-LBPRGKRZSA-N 2 0 227.352 0.444 20 0 BCADRP CNC(=O)CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000358020742 173242563 /nfs/dbraw/zinc/24/25/63/173242563.db2.gz GKBYVCNXYMEWBU-GRYCIOLGSA-N 2 0 241.379 0.831 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000309616742 173281699 /nfs/dbraw/zinc/28/16/99/173281699.db2.gz DAXOTFXBTKVBCO-JTQLQIEISA-N 2 0 229.368 0.688 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359089659 173282205 /nfs/dbraw/zinc/28/22/05/173282205.db2.gz BSTVUVJDGVUCAE-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+]C[C@H]1CCCN1C ZINC000336756586 173282214 /nfs/dbraw/zinc/28/22/14/173282214.db2.gz IRWNXXHSSSABTQ-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000336769441 173282919 /nfs/dbraw/zinc/28/29/19/173282919.db2.gz RYNAGCGCBDTBSL-GARJFASQSA-N 2 0 227.352 0.583 20 0 BCADRP CNC(=O)[C@@H](C)C[N@H+](C)CCC1CC[NH2+]CC1 ZINC000234358083 173293559 /nfs/dbraw/zinc/29/35/59/173293559.db2.gz BNTPUJJNDBIBQF-NSHDSACASA-N 2 0 241.379 0.690 20 0 BCADRP CNC(=O)[C@H](C)C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000234375212 173301437 /nfs/dbraw/zinc/30/14/37/173301437.db2.gz CBZLEJXISZYXCO-NEPJUHHUSA-N 2 0 241.379 0.690 20 0 BCADRP CNC(=O)[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000043497682 173306307 /nfs/dbraw/zinc/30/63/07/173306307.db2.gz HYYHZROWPBATTJ-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000037897519 173322573 /nfs/dbraw/zinc/32/25/73/173322573.db2.gz ROXXBRCFCXAVBH-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP C[NH2+]C1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000335622413 173322825 /nfs/dbraw/zinc/32/28/25/173322825.db2.gz JISYKCRGPCMVQS-GFCCVEGCSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000237197692 173326376 /nfs/dbraw/zinc/32/63/76/173326376.db2.gz ATJLYEIWINWHIY-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH2+]CC(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000237191501 173326534 /nfs/dbraw/zinc/32/65/34/173326534.db2.gz QKICPNCSHNDOJJ-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000366626520 173326574 /nfs/dbraw/zinc/32/65/74/173326574.db2.gz BQCGJVRNGCUVOC-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227410806 173327773 /nfs/dbraw/zinc/32/77/73/173327773.db2.gz KHHJQBVMLQHXFZ-QWRGUYRKSA-N 2 0 225.336 0.291 20 0 BCADRP C[NH2+]CC(=O)NCCC[NH+]1CCCCC1 ZINC000037467389 173328451 /nfs/dbraw/zinc/32/84/51/173328451.db2.gz DZKJJOJINHZTRZ-UHFFFAOYSA-N 2 0 213.325 0.198 20 0 BCADRP C[NH2+]CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000237251818 173329969 /nfs/dbraw/zinc/32/99/69/173329969.db2.gz BGCXGKDJLZAQJE-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000261546665 173330724 /nfs/dbraw/zinc/33/07/24/173330724.db2.gz LEPHBGPOMCEGHR-JTQLQIEISA-N 2 0 241.360 0.686 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000040420119 173331028 /nfs/dbraw/zinc/33/10/28/173331028.db2.gz OUGZJOSSKQFLJT-LBPRGKRZSA-N 2 0 235.331 0.625 20 0 BCADRP C[NH2+]CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000237257949 173331812 /nfs/dbraw/zinc/33/18/12/173331812.db2.gz FQJNGSASTJPQLX-JTQLQIEISA-N 2 0 229.368 0.688 20 0 BCADRP C[NH2+]CC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000237266664 173332068 /nfs/dbraw/zinc/33/20/68/173332068.db2.gz NDTTWRBMHJMKMR-IJLUTSLNSA-N 2 0 241.379 0.688 20 0 BCADRP C[NH2+]CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000237270957 173332591 /nfs/dbraw/zinc/33/25/91/173332591.db2.gz FQJNGSASTJPQLX-SNVBAGLBSA-N 2 0 229.368 0.688 20 0 BCADRP C[NH2+]CC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000377567330 173335589 /nfs/dbraw/zinc/33/55/89/173335589.db2.gz XIKRFRFYTDQVQT-LURJTMIESA-N 2 0 240.332 0.117 20 0 BCADRP C[NH2+]CC1CC[NH+](CCOCCOC)CC1 ZINC000070027611 173338236 /nfs/dbraw/zinc/33/82/36/173338236.db2.gz BWPZOSOSTKIJMD-UHFFFAOYSA-N 2 0 230.352 0.581 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000361725222 173338696 /nfs/dbraw/zinc/33/86/96/173338696.db2.gz CVLZMDIWEYOSNS-LBPRGKRZSA-N 2 0 243.326 0.146 20 0 BCADRP C[NH2+]CCC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000309500172 173338768 /nfs/dbraw/zinc/33/87/68/173338768.db2.gz USDLYGHBKFBZOU-SNVBAGLBSA-N 2 0 215.341 0.428 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000375965845 173339137 /nfs/dbraw/zinc/33/91/37/173339137.db2.gz TXHNAVQKFDJBIO-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000357234499 173339586 /nfs/dbraw/zinc/33/95/86/173339586.db2.gz AOXYQVVGVYSHKU-UHFFFAOYSA-N 2 0 235.331 0.583 20 0 BCADRP C[NH2+]CCC(=O)NCCC[NH+]1CCCCC1 ZINC000043599998 173340237 /nfs/dbraw/zinc/34/02/37/173340237.db2.gz RJYZAWVHQAOLDQ-UHFFFAOYSA-N 2 0 227.352 0.588 20 0 BCADRP C[NH2+]CCCC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000237118103 173342590 /nfs/dbraw/zinc/34/25/90/173342590.db2.gz SUIYMEZWKVNYPX-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812649 173343672 /nfs/dbraw/zinc/34/36/72/173343672.db2.gz GFARNKOIMPLEBX-LLVKDONJSA-N 2 0 225.336 0.293 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000376454281 173344119 /nfs/dbraw/zinc/34/41/19/173344119.db2.gz KMJSMRZBUJGUDN-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000237206430 173344573 /nfs/dbraw/zinc/34/45/73/173344573.db2.gz PCUKMPPMUUKKDI-GFCCVEGCSA-N 2 0 229.368 0.866 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000310123948 173346367 /nfs/dbraw/zinc/34/63/67/173346367.db2.gz IRSKIOFOXNSCFL-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]([NH3+])c1ccccc1C ZINC000083362642 173347979 /nfs/dbraw/zinc/34/79/79/173347979.db2.gz LTVUYQFGQOFOCR-GFCCVEGCSA-N 2 0 235.331 0.721 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246251023 173348000 /nfs/dbraw/zinc/34/80/00/173348000.db2.gz HXIWFQZGAAQIGD-UTUOFQBUSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+]CCCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000368606704 173348028 /nfs/dbraw/zinc/34/80/28/173348028.db2.gz XBYNVENGGDMFKG-WCQYABFASA-N 2 0 239.363 0.492 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000070304873 173352021 /nfs/dbraw/zinc/35/20/21/173352021.db2.gz XRPCADMHEBKFEA-CYBMUJFWSA-N 2 0 235.331 0.538 20 0 BCADRP C[NH2+]CCNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000262622024 173355147 /nfs/dbraw/zinc/35/51/47/173355147.db2.gz FEQLIGGGJHSFMJ-LLVKDONJSA-N 2 0 221.304 0.330 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237071697 173355378 /nfs/dbraw/zinc/35/53/78/173355378.db2.gz LNPHKSLTZOEMRY-LBPRGKRZSA-N 2 0 233.315 0.037 20 0 BCADRP C[NH2+]CCNC(=O)c1sccc1C[NH+](C)C ZINC000269142431 173356266 /nfs/dbraw/zinc/35/62/66/173356266.db2.gz BLEUQDWVPIQVSC-UHFFFAOYSA-N 2 0 241.360 0.759 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000246698455 173362712 /nfs/dbraw/zinc/36/27/12/173362712.db2.gz WAYIDDJVMCZYIP-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000237224341 173363125 /nfs/dbraw/zinc/36/31/25/173363125.db2.gz WEABQDWJZFRUEF-MNOVXSKESA-N 2 0 243.395 0.934 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000237303674 173364038 /nfs/dbraw/zinc/36/40/38/173364038.db2.gz LQLPHKHXMGKANV-RKDXNWHRSA-N 2 0 215.341 0.332 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)COC)C1 ZINC000251000096 173367772 /nfs/dbraw/zinc/36/77/72/173367772.db2.gz PHXWYSLJSOAZLF-MNOVXSKESA-N 2 0 200.326 0.953 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237186672 173368327 /nfs/dbraw/zinc/36/83/27/173368327.db2.gz DVNYNWVCWSPNJI-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1CCOCCOC ZINC000070027584 173368980 /nfs/dbraw/zinc/36/89/80/173368980.db2.gz AOKPZQKYMPUPEM-NSHDSACASA-N 2 0 216.325 0.333 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000368554842 173370083 /nfs/dbraw/zinc/37/00/83/173370083.db2.gz DLZOGTRWZUZHLS-GRYCIOLGSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000366933993 173372061 /nfs/dbraw/zinc/37/20/61/173372061.db2.gz NCCYWXVTVMAYEL-XKNYDFJKSA-N 2 0 231.315 0.128 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000237281769 173372966 /nfs/dbraw/zinc/37/29/66/173372966.db2.gz GMAORGXHHLVFIS-RYUDHWBXSA-N 2 0 241.379 0.642 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000237327238 173373863 /nfs/dbraw/zinc/37/38/63/173373863.db2.gz GKWKVGRAWZEHSH-JQWIXIFHSA-N 2 0 235.331 0.658 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000374630749 173373943 /nfs/dbraw/zinc/37/39/43/173373943.db2.gz NEDAMRIIFXSEIQ-YFKTTZPYSA-N 2 0 239.363 0.428 20 0 BCADRP C[NH2+]C[C@H]1CCCN(CC(=O)NC(C)C)C1 ZINC000040601144 173378447 /nfs/dbraw/zinc/37/84/47/173378447.db2.gz ADXRZJWIJKPQKB-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@H+](CCc2cnn(C)c2)C1 ZINC000226418719 173378519 /nfs/dbraw/zinc/37/85/19/173378519.db2.gz RRXHETCMQMCNEU-GFCCVEGCSA-N 2 0 236.363 0.894 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000237302195 173378991 /nfs/dbraw/zinc/37/89/91/173378991.db2.gz ZDIXTVKLIHXRLS-YPMHNXCESA-N 2 0 239.363 0.444 20 0 BCADRP COCCC[N@H+](CCOC)C[C@@H]1CCC[NH2+]C1 ZINC000042425402 174223593 /nfs/dbraw/zinc/22/35/93/174223593.db2.gz RDKXGNVTICUGCW-CYBMUJFWSA-N 2 0 244.379 0.971 20 0 BCADRP COCC[N@H+](C)CCC1CC[NH2+]CC1 ZINC000042459406 174276101 /nfs/dbraw/zinc/27/61/01/174276101.db2.gz LFJMIRQNVWSORF-UHFFFAOYSA-N 2 0 200.326 0.954 20 0 BCADRP COCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118843399 174279169 /nfs/dbraw/zinc/27/91/69/174279169.db2.gz BEHAAHPIYSPHMX-NSHDSACASA-N 2 0 200.326 0.906 20 0 BCADRP COCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371292672 174311248 /nfs/dbraw/zinc/31/12/48/174311248.db2.gz CUSVERRKUJRFTO-YNEHKIRRSA-N 2 0 242.363 0.816 20 0 BCADRP COCC[N@@H+]1CC[C@@H](Nc2ccnc(C)n2)C1 ZINC000266422633 174313064 /nfs/dbraw/zinc/31/30/64/174313064.db2.gz SFBQTTSKZNCORB-LLVKDONJSA-N 2 0 236.319 0.918 20 0 BCADRP COCCOCCN(C)[C@H](C[NH3+])C1CC1 ZINC000126709081 174351859 /nfs/dbraw/zinc/35/18/59/174351859.db2.gz ZIQWGGAGCZICJK-LLVKDONJSA-N 2 0 216.325 0.319 20 0 BCADRP COCCOCCN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000070027559 174353886 /nfs/dbraw/zinc/35/38/86/174353886.db2.gz XXYLDXYOIWYYFH-NWDGAFQWSA-N 2 0 230.352 0.709 20 0 BCADRP COCCOCCN1CCCC[C@H]1[C@H](C)[NH3+] ZINC000070531747 174353938 /nfs/dbraw/zinc/35/39/38/174353938.db2.gz ARMLCRUIXSAKGB-RYUDHWBXSA-N 2 0 230.352 0.851 20 0 BCADRP COCCOCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070028372 174353949 /nfs/dbraw/zinc/35/39/49/174353949.db2.gz LDPMLGZGXMBWNW-GFCCVEGCSA-N 2 0 230.352 0.710 20 0 BCADRP COCCOCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128018634 174358093 /nfs/dbraw/zinc/35/80/93/174358093.db2.gz MGHHBVXEQZZEFE-CHWSQXEVSA-N 2 0 242.363 0.866 20 0 BCADRP COCC[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000045018328 174383128 /nfs/dbraw/zinc/38/31/28/174383128.db2.gz CEGIQYXTGRWRGH-CYBMUJFWSA-N 2 0 243.395 0.639 20 0 BCADRP [NH3+]CCCCc1cn(CC[NH+]2CCCC2)nn1 ZINC000228376725 487630548 /nfs/dbraw/zinc/63/05/48/487630548.db2.gz YESLCIFDBFNNNY-UHFFFAOYSA-N 2 0 237.351 0.655 20 0 BCADRP C[C@@H](CC(=O)NCC(C)(C)[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000237406559 175641593 /nfs/dbraw/zinc/64/15/93/175641593.db2.gz ZLJLOFWVGPKSRI-WDEREUQCSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000357348660 175670625 /nfs/dbraw/zinc/67/06/25/175670625.db2.gz RFWCKDHJKZSUEW-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000335918577 175704704 /nfs/dbraw/zinc/70/47/04/175704704.db2.gz BMJOMRWKBBTKAI-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000237472218 175797912 /nfs/dbraw/zinc/79/79/12/175797912.db2.gz NOGCBHGGZVZUMA-ZJUUUORDSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)[NH3+] ZINC000237400207 176100321 /nfs/dbraw/zinc/10/03/21/176100321.db2.gz NQZLXVBWFVNRDW-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000336756679 176150388 /nfs/dbraw/zinc/15/03/88/176150388.db2.gz JNNYRFLIJIXZKG-UTUOFQBUSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@@H]1CCN(C(=O)CC2(C[NH3+])CC2)C[C@H]1C[NH3+] ZINC000332040398 176154912 /nfs/dbraw/zinc/15/49/12/176154912.db2.gz ZKHZUFUJGVNFHW-GHMZBOCLSA-N 2 0 239.363 0.559 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000368818783 176184896 /nfs/dbraw/zinc/18/48/96/176184896.db2.gz QNFPUIFZWQCYAA-HNCHTBHHSA-N 2 0 237.347 0.100 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2nccn2C)C1 ZINC000127198012 176185878 /nfs/dbraw/zinc/18/58/78/176185878.db2.gz NTHQIMUPJWQNTM-NXEZZACHSA-N 2 0 236.319 0.424 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000126064652 176186448 /nfs/dbraw/zinc/18/64/48/176186448.db2.gz YSGXBMQDMIIACC-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000226084621 176187428 /nfs/dbraw/zinc/18/74/28/176187428.db2.gz DWKWFORBWOYJLU-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000043493609 176196888 /nfs/dbraw/zinc/19/68/88/176196888.db2.gz NQBDEPUFWOLEAX-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1CN(C(=O)C2([NH3+])CCCCC2)CC[C@@H]1[NH3+] ZINC000336302900 176242783 /nfs/dbraw/zinc/24/27/83/176242783.db2.gz BFTIBPHEIMEZOA-MNOVXSKESA-N 2 0 239.363 0.844 20 0 BCADRP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C)C[C@@H]1[NH3+] ZINC000333948728 176251201 /nfs/dbraw/zinc/25/12/01/176251201.db2.gz WOYYIXBTNDEQIE-VWYCJHECSA-N 2 0 240.351 0.069 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@H]1[NH3+] ZINC000333652239 176252469 /nfs/dbraw/zinc/25/24/69/176252469.db2.gz JZVJMOXSTCEDQH-OUAUKWLOSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000336778661 176270512 /nfs/dbraw/zinc/27/05/12/176270512.db2.gz LXWNTKSMSLDCTP-ZYHUDNBSSA-N 2 0 222.336 0.882 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000362875587 176270856 /nfs/dbraw/zinc/27/08/56/176270856.db2.gz MFPJCHPLBNWYDW-MNOVXSKESA-N 2 0 239.363 0.395 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000336777719 176276801 /nfs/dbraw/zinc/27/68/01/176276801.db2.gz JIEFUJYDPPAGEF-VXGBXAGGSA-N 2 0 229.368 0.104 20 0 BCADRP C[C@@H]1C[N@H+](CCc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000226422277 176295973 /nfs/dbraw/zinc/29/59/73/176295973.db2.gz ZJAGLBAFOSSRIK-PWSUYJOCSA-N 2 0 222.336 0.632 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCO ZINC000305067907 176300549 /nfs/dbraw/zinc/30/05/49/176300549.db2.gz JQVVKRBKMXNELM-JHJVBQTASA-N 2 0 242.363 0.458 20 0 BCADRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC[NH3+] ZINC000251694020 176323566 /nfs/dbraw/zinc/32/35/66/176323566.db2.gz ILZJCSCUHIDZHP-MNOVXSKESA-N 2 0 225.336 0.420 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)C1CC[NH+](C)CC1 ZINC000125014127 176325524 /nfs/dbraw/zinc/32/55/24/176325524.db2.gz YXTPXBGUSXIROZ-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333640043 176325573 /nfs/dbraw/zinc/32/55/73/176325573.db2.gz HZIXCEMVYSXYNC-GHMZBOCLSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000365334701 176328032 /nfs/dbraw/zinc/32/80/32/176328032.db2.gz RVZZOYWXAUIKQH-IJLUTSLNSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000377564337 176328253 /nfs/dbraw/zinc/32/82/53/176328253.db2.gz NRZYBENBYQHOFT-DDHJBXDOSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000333274410 176329627 /nfs/dbraw/zinc/32/96/27/176329627.db2.gz LDEXJPKPBMREIT-GWOFURMSSA-N 2 0 225.336 0.099 20 0 BCADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CN(C)CCN1C ZINC000302164237 176341797 /nfs/dbraw/zinc/34/17/97/176341797.db2.gz LPZGJOKBBZPUFZ-AGIUHOORSA-N 2 0 241.379 0.247 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000300055631 176358964 /nfs/dbraw/zinc/35/89/64/176358964.db2.gz JASZTQHZGCOSBE-MXWKQRLJSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC[NH2+][C@H](C)C1 ZINC000300130650 176359355 /nfs/dbraw/zinc/35/93/55/176359355.db2.gz AXRKWBIPGXAMKT-UTUOFQBUSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCn1cccn1 ZINC000122317862 176368161 /nfs/dbraw/zinc/36/81/61/176368161.db2.gz DQHHNKDWTQQFOA-MNOVXSKESA-N 2 0 208.309 0.552 20 0 BCADRP C[C@@H]1C[C@@H](N(C)CC(=O)N(C)C)CC[N@@H+]1C ZINC000123806599 176370701 /nfs/dbraw/zinc/37/07/01/176370701.db2.gz CGZBCGRWAUWMHP-MNOVXSKESA-N 2 0 227.352 0.489 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C(C)(C)C[NH3+])CC[N@@H+]1C ZINC000133150579 176372582 /nfs/dbraw/zinc/37/25/82/176372582.db2.gz KYPUKFULLNOADH-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000333254943 176458279 /nfs/dbraw/zinc/45/82/79/176458279.db2.gz HRTPHZAJDYIGGW-UWVGGRQHSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CCCCC[NH2+]1 ZINC000377562815 176501495 /nfs/dbraw/zinc/50/14/95/176501495.db2.gz KUJVRYIRUWMRJW-GMTAPVOTSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)CCCC[NH2+]1 ZINC000237505349 176525395 /nfs/dbraw/zinc/52/53/95/176525395.db2.gz MIXMDEXLXUOKOB-YPMHNXCESA-N 2 0 239.363 0.634 20 0 BCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383511698 487634267 /nfs/dbraw/zinc/63/42/67/487634267.db2.gz GVDRKWRJJHDHLB-MDZLAQPJSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000357035924 176759277 /nfs/dbraw/zinc/75/92/77/176759277.db2.gz IXZXXWJTAZNQTF-GMXVVIOVSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H](C(=O)N(C)[C@H]1CCC[NH2+]CC1)[C@H](C)[NH3+] ZINC000375423475 176763468 /nfs/dbraw/zinc/76/34/68/176763468.db2.gz BMXXLUMVMZIUCY-VWYCJHECSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368110378 176768158 /nfs/dbraw/zinc/76/81/58/176768158.db2.gz CENVVDUXFNYQPU-UKKRHICBSA-N 2 0 225.336 0.038 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000375428213 176768452 /nfs/dbraw/zinc/76/84/52/176768452.db2.gz MXIGHXLPYRPXRG-MEWQQHAOSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC000036793946 176887633 /nfs/dbraw/zinc/88/76/33/176887633.db2.gz YRXCSBXMYKCLPC-QWRGUYRKSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C[NH3+])C1 ZINC000224214914 177072296 /nfs/dbraw/zinc/07/22/96/177072296.db2.gz GKYCLXOOCJTTQD-RYUDHWBXSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000195157535 177104327 /nfs/dbraw/zinc/10/43/27/177104327.db2.gz GOELIICOPAXDHI-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000249820841 177104876 /nfs/dbraw/zinc/10/48/76/177104876.db2.gz GOELIICOPAXDHI-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NCC(C)(C)[NH+](C)C)C1 ZINC000126903503 177175687 /nfs/dbraw/zinc/17/56/87/177175687.db2.gz YZOBHOSLXBPJLL-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCC[NH3+] ZINC000357805431 177186665 /nfs/dbraw/zinc/18/66/65/177186665.db2.gz XQKFTPQIVAPHGT-PHIMTYICSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC[NH2+]C1CC1 ZINC000042438671 177197925 /nfs/dbraw/zinc/19/79/25/177197925.db2.gz IIOYNAWEUYFHOI-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000043497691 177198470 /nfs/dbraw/zinc/19/84/70/177198470.db2.gz ZEIRHQIIQLMJJI-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333831763 177221270 /nfs/dbraw/zinc/22/12/70/177221270.db2.gz MRBATDPEVOPWOL-AXFHLTTASA-N 2 0 240.351 0.130 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000333498278 177221342 /nfs/dbraw/zinc/22/13/42/177221342.db2.gz FBRKREDIHAGJSP-AXFHLTTASA-N 2 0 240.351 0.130 20 0 BCADRP C[C@H]1CN(C(=O)N[C@H]2CCC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000333831770 177221401 /nfs/dbraw/zinc/22/14/01/177221401.db2.gz MRBATDPEVOPWOL-DCAQKATOSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC000358233393 177234852 /nfs/dbraw/zinc/23/48/52/177234852.db2.gz OFIMMJQPHCFYLI-CMPLNLGQSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000336777718 177235729 /nfs/dbraw/zinc/23/57/29/177235729.db2.gz JIEFUJYDPPAGEF-RYUDHWBXSA-N 2 0 229.368 0.104 20 0 BCADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000336748662 177236000 /nfs/dbraw/zinc/23/60/00/177236000.db2.gz DLDIBRHFEJELAE-RYUDHWBXSA-N 2 0 213.369 0.868 20 0 BCADRP C[C@H]1C[NH2+]CCN1CCC1CC[NH2+]CC1 ZINC000108356885 177283950 /nfs/dbraw/zinc/28/39/50/177283950.db2.gz NQNZHZPFGNXDII-NSHDSACASA-N 2 0 211.353 0.670 20 0 BCADRP C[C@H]1COCC[C@H]1[NH2+]CCn1ccnc1 ZINC000192128789 177296701 /nfs/dbraw/zinc/29/67/01/177296701.db2.gz KEWZOBVBEUPYSV-WDEREUQCSA-N 2 0 209.293 0.898 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)C)CC[NH2+]1 ZINC000235634311 177308171 /nfs/dbraw/zinc/30/81/71/177308171.db2.gz WLQOHRWKGVRVSC-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]1 ZINC000366551995 177308214 /nfs/dbraw/zinc/30/82/14/177308214.db2.gz BBJJDMGFSQMXCT-NAKRPEOUSA-N 2 0 243.326 0.191 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1CC(=O)N1CCCCC1 ZINC000131540578 177323661 /nfs/dbraw/zinc/32/36/61/177323661.db2.gz HBGKGIGWKWKCTE-RYUDHWBXSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1CC(=O)NCC1CC1 ZINC000122311570 177323760 /nfs/dbraw/zinc/32/37/60/177323760.db2.gz HEMZREOWDOYXAC-ONGXEEELSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC1CC[NH2+]CC1 ZINC000335605242 177361488 /nfs/dbraw/zinc/36/14/88/177361488.db2.gz HTQPASBDBAWNGE-CMPLNLGQSA-N 3 0 211.353 0.655 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CC2(O)CCC2)CC[N@@H+]1C ZINC000133413845 177369605 /nfs/dbraw/zinc/36/96/05/177369605.db2.gz IVGVVPQKVCXQFA-WDEREUQCSA-N 2 0 212.337 0.974 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000094647226 177394903 /nfs/dbraw/zinc/39/49/03/177394903.db2.gz IEZWQPCJFDCHAF-PWSUYJOCSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC[N@H+](C)C1CC1 ZINC000094648276 177395885 /nfs/dbraw/zinc/39/58/85/177395885.db2.gz KMIBQVPJOGPENJ-ZYHUDNBSSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000367386416 177395922 /nfs/dbraw/zinc/39/59/22/177395922.db2.gz SJJLOWGVCXUEOR-IEBDPFPHSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000368009970 177395955 /nfs/dbraw/zinc/39/59/55/177395955.db2.gz YUBNLVRMABQHBU-IJLUTSLNSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)c2ccc(C[NH3+])cc2)[C@@H]1C ZINC000262827699 177396883 /nfs/dbraw/zinc/39/68/83/177396883.db2.gz UJJTXRYHJQRMBA-GHMZBOCLSA-N 2 0 247.342 0.968 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CCCC[NH2+]1 ZINC000237768968 177455668 /nfs/dbraw/zinc/45/56/68/177455668.db2.gz PQTTWQPRUXKRCD-NQBHXWOUSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)CC[C@@H](C)[NH3+])C1 ZINC000193170186 487640675 /nfs/dbraw/zinc/64/06/75/487640675.db2.gz OGRGYXSQANZLGD-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCN1C ZINC000226016924 487643566 /nfs/dbraw/zinc/64/35/66/487643566.db2.gz MMGHKXWGJLSOGM-NWDGAFQWSA-N 3 0 229.368 0.424 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000493900431 226258959 /nfs/dbraw/zinc/25/89/59/226258959.db2.gz LYTXZHCGHVXMCU-QFOLPQNPSA-N 2 0 239.363 0.569 20 0 BCADRP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[C@H](C)[NH3+] ZINC000493966383 226259379 /nfs/dbraw/zinc/25/93/79/226259379.db2.gz AGQBAYFGQSUNOF-SCVCMEIPSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000493966382 226259394 /nfs/dbraw/zinc/25/93/94/226259394.db2.gz AGQBAYFGQSUNOF-NHCYSSNCSA-N 2 0 239.363 0.665 20 0 BCADRP COCC[N@H+](C)CCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400335044 226341125 /nfs/dbraw/zinc/34/11/25/226341125.db2.gz FTLYIYSGZJMVTM-VXGBXAGGSA-N 2 0 229.368 0.295 20 0 BCADRP C[C@@H](NCCOCC[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000400438629 226343627 /nfs/dbraw/zinc/34/36/27/226343627.db2.gz LVOABESDBLMUGI-VXGBXAGGSA-N 2 0 229.368 0.295 20 0 BCADRP C[C@H](N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000400736002 226350708 /nfs/dbraw/zinc/35/07/08/226350708.db2.gz RSALLRSFYKULGN-GMXVVIOVSA-N 2 0 223.364 0.953 20 0 BCADRP CC(C)(O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335616219 487654080 /nfs/dbraw/zinc/65/40/80/487654080.db2.gz RHMMLOXETWAHKL-LBPRGKRZSA-N 2 0 212.337 0.833 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@H]1C[NH+](C)C)[NH+](C)C ZINC000674920107 487655478 /nfs/dbraw/zinc/65/54/78/487655478.db2.gz JRKCCGBXXKDLLL-QWRGUYRKSA-N 2 0 227.352 0.489 20 0 BCADRP O[C@H](C[NH2+][C@@H]1CCCC[C@@H]1O)C[NH+]1CCCC1 ZINC000226087745 487656152 /nfs/dbraw/zinc/65/61/52/487656152.db2.gz NREYEYKDUKTLQO-UPJWGTAASA-N 2 0 242.363 0.336 20 0 BCADRP CCN(CCCO)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431089321 487665645 /nfs/dbraw/zinc/66/56/45/487665645.db2.gz ZCKSTRZLZBJCSQ-UHFFFAOYSA-N 2 0 242.323 0.468 20 0 BCADRP Cn1cncc1CCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000314865453 487669111 /nfs/dbraw/zinc/66/91/11/487669111.db2.gz JTZMVILYSVVTMD-NSHDSACASA-N 2 0 222.336 0.633 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CCCc2cncn2C)C1 ZINC000314866724 487669125 /nfs/dbraw/zinc/66/91/25/487669125.db2.gz JZLVEDUDOYSYQF-LBPRGKRZSA-N 2 0 236.363 0.894 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]([NH3+])c1ccccc1 ZINC000662611876 487671550 /nfs/dbraw/zinc/67/15/50/487671550.db2.gz HRNVBPABRNOZQO-LLVKDONJSA-N 2 0 235.331 0.882 20 0 BCADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CC12CC2 ZINC000424376842 229160280 /nfs/dbraw/zinc/16/02/80/229160280.db2.gz PZDGPJYYCRYADI-MMWGEVLESA-N 2 0 210.321 0.881 20 0 BCADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC12CC2 ZINC000424376844 229160322 /nfs/dbraw/zinc/16/03/22/229160322.db2.gz PZDGPJYYCRYADI-UKKRHICBSA-N 2 0 210.321 0.881 20 0 BCADRP C[NH+](C)C[C@]1(O)CCC[N@H+](CCCCO)C1 ZINC000639760521 487673462 /nfs/dbraw/zinc/67/34/62/487673462.db2.gz BJEJWRRQJNBZOR-GFCCVEGCSA-N 2 0 230.352 0.147 20 0 BCADRP CC(C)([NH3+])CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000393780548 487687237 /nfs/dbraw/zinc/68/72/37/487687237.db2.gz BKWMSEAUPKAVLJ-JQWIXIFHSA-N 2 0 211.353 0.785 20 0 BCADRP CC(C)[C@H](CCO)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000384039966 487689656 /nfs/dbraw/zinc/68/96/56/487689656.db2.gz UWSBGFOYNOFCJY-STQMWFEESA-N 2 0 246.395 0.684 20 0 BCADRP CC(C)[NH+](CCNC(=O)C1(C)C[NH2+]C1)C(C)C ZINC000399498518 262814522 /nfs/dbraw/zinc/81/45/22/262814522.db2.gz VXUIWWZDQYHKBX-UHFFFAOYSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+]CCC[NH2+][C@@H]1COc2ccccc2C1 ZINC000328497093 487699698 /nfs/dbraw/zinc/69/96/98/487699698.db2.gz VHNSVLWOISGFBC-NSHDSACASA-N 2 0 206.289 0.929 20 0 BCADRP OCCC1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000097817917 487703106 /nfs/dbraw/zinc/70/31/06/487703106.db2.gz GXBRVBQADMWHOZ-GFCCVEGCSA-N 2 0 242.363 0.195 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000353423245 487703993 /nfs/dbraw/zinc/70/39/93/487703993.db2.gz COIQECNTXWANKJ-USZNOCQGSA-N 2 0 239.363 0.761 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH3+])C1 ZINC000669402958 487704707 /nfs/dbraw/zinc/70/47/07/487704707.db2.gz BYVXWGAZGSZYRD-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000669403140 487705509 /nfs/dbraw/zinc/70/55/09/487705509.db2.gz LNNXRIFHCDYQRB-GHMZBOCLSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000669403274 487705948 /nfs/dbraw/zinc/70/59/48/487705948.db2.gz QVVHTMINWHQHJV-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000669403239 487706240 /nfs/dbraw/zinc/70/62/40/487706240.db2.gz PNIOFHLTCQUEFX-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000193661525 487712874 /nfs/dbraw/zinc/71/28/74/487712874.db2.gz LMZTYRDTOFWWMS-VLEAKVRGSA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[NH2+]CC1 ZINC000088276199 487715753 /nfs/dbraw/zinc/71/57/53/487715753.db2.gz PCEKJHBHQZAAPZ-LBPRGKRZSA-N 2 0 241.379 0.819 20 0 BCADRP O=C1CC[C@@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N1 ZINC000156106891 487721043 /nfs/dbraw/zinc/72/10/43/487721043.db2.gz YNZBRXZUEAXIPC-GRYCIOLGSA-N 2 0 237.347 0.481 20 0 BCADRP CC(C)([NH3+])CC(=O)NC1CCC([NH3+])CC1 ZINC000082772472 487729855 /nfs/dbraw/zinc/72/98/55/487729855.db2.gz RHILEPDHTZAOTI-UHFFFAOYSA-N 2 0 213.325 0.500 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000082772223 487730659 /nfs/dbraw/zinc/73/06/59/487730659.db2.gz UNNRPXKBNHUFIZ-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000250362091 487730926 /nfs/dbraw/zinc/73/09/26/487730926.db2.gz UTWDVPHCGCRNSY-RYUDHWBXSA-N 2 0 211.353 0.622 20 0 BCADRP CC(C)([NH3+])CC(=O)NCC[NH+]1CCCCC1 ZINC000082772350 487731791 /nfs/dbraw/zinc/73/17/91/487731791.db2.gz SAXBZHGRWNOHGY-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])[N@H+](C)C1CC1 ZINC000226398387 487734418 /nfs/dbraw/zinc/73/44/18/487734418.db2.gz SOUXLMIZMYMHKR-JLLWLGSASA-N 2 0 239.363 0.713 20 0 BCADRP CC[C@@H](O)C[NH2+][C@@H](CCC[NH3+])COC ZINC000233903067 487751588 /nfs/dbraw/zinc/75/15/88/487751588.db2.gz FDXWDLWDETUGLF-VHSXEESVSA-N 2 0 204.314 0.101 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])[NH+](C)C ZINC000082921101 487753135 /nfs/dbraw/zinc/75/31/35/487753135.db2.gz CCDCVDHXVQJULN-AEJSXWLSSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H](C(=O)NCC[N@H+](C)C1CCCC1)[NH+](C)C ZINC000674263646 487758532 /nfs/dbraw/zinc/75/85/32/487758532.db2.gz MWFNXACREOMOBY-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP O[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000251532170 487765060 /nfs/dbraw/zinc/76/50/60/487765060.db2.gz XPVLHGJSWJJHRV-VXGBXAGGSA-N 2 0 212.337 0.833 20 0 BCADRP CO[C@H](C[NH2+][C@H](C)CC[NH+](C)C)[C@H]1CCOC1 ZINC000668444998 487766557 /nfs/dbraw/zinc/76/65/57/487766557.db2.gz VEAABPVMXUIIHZ-FRRDWIJNSA-N 2 0 244.379 0.968 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655505230 487770430 /nfs/dbraw/zinc/77/04/30/487770430.db2.gz TVCIJNPRTMZJHO-RXMQYKEDSA-N 2 0 227.230 0.120 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000662964458 487772480 /nfs/dbraw/zinc/77/24/80/487772480.db2.gz BMYDBRIWFIMMHP-CMPLNLGQSA-N 2 0 235.331 0.801 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)c1coc(C[NH3+])c1 ZINC000662965165 487773657 /nfs/dbraw/zinc/77/36/57/487773657.db2.gz MJYBCWOBZXHZLV-SSDOTTSWSA-N 2 0 211.265 0.076 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000662965778 487774821 /nfs/dbraw/zinc/77/48/21/487774821.db2.gz NVCNRWFCQFOBON-MXWKQRLJSA-N 2 0 227.352 0.583 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000674286527 487777342 /nfs/dbraw/zinc/77/73/42/487777342.db2.gz ZOUBWYLGFIRDEO-QJPTWQEYSA-N 2 0 239.363 0.680 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000309211830 487779941 /nfs/dbraw/zinc/77/99/41/487779941.db2.gz SODDOZGTULRSPL-AXFHLTTASA-N 2 0 225.336 0.337 20 0 BCADRP CC(C)(O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335616217 487798283 /nfs/dbraw/zinc/79/82/83/487798283.db2.gz RHMMLOXETWAHKL-GFCCVEGCSA-N 2 0 212.337 0.833 20 0 BCADRP C[NH+]1CCC(NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000234309631 487799297 /nfs/dbraw/zinc/79/92/97/487799297.db2.gz MMXSPJATNGRLJD-LBPRGKRZSA-N 2 0 211.353 0.812 20 0 BCADRP CC[C@@H]1CN(CC(=O)NC(C)C)CC[C@H]1[NH3+] ZINC000251862928 487803749 /nfs/dbraw/zinc/80/37/49/487803749.db2.gz SZORBOFTGOGMEK-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP CN(C)C1(C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000666424260 487804882 /nfs/dbraw/zinc/80/48/82/487804882.db2.gz KCGCAQVBESZRLO-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC([NH3+])CC1 ZINC000390470961 487806939 /nfs/dbraw/zinc/80/69/39/487806939.db2.gz JEEPRXICVFWHCU-UHFFFAOYSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@]1(C(N)=O)CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000300528613 487808209 /nfs/dbraw/zinc/80/82/09/487808209.db2.gz GZDIHWDUHQETOA-YPMHNXCESA-N 2 0 239.363 0.573 20 0 BCADRP [NH3+]C1(CNC(=O)NCC2([NH3+])CCCC2)CCC1 ZINC000659530916 487808950 /nfs/dbraw/zinc/80/89/50/487808950.db2.gz WCKMJLHZRMYTOJ-UHFFFAOYSA-N 2 0 240.351 0.439 20 0 BCADRP C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCC[NH3+] ZINC000414745108 487821412 /nfs/dbraw/zinc/82/14/12/487821412.db2.gz PBALKYKNSPEJLI-VWYCJHECSA-N 2 0 200.326 0.817 20 0 BCADRP CC[C@]1(CO)CCC[N@H+](CCC[NH3+])C1 ZINC000414752712 487821805 /nfs/dbraw/zinc/82/18/05/487821805.db2.gz CLTNPQTUPYSHPS-NSHDSACASA-N 2 0 200.326 0.820 20 0 BCADRP CCOCCOCC[N@H+](C)CCC[NH3+] ZINC000414760391 487823212 /nfs/dbraw/zinc/82/32/12/487823212.db2.gz YLWNFCOPJZFNGQ-UHFFFAOYSA-N 2 0 204.314 0.320 20 0 BCADRP CO[C@@H](C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000224176609 487824662 /nfs/dbraw/zinc/82/46/62/487824662.db2.gz BQKNDCFZTSLPEX-WDEREUQCSA-N 2 0 216.325 0.068 20 0 BCADRP CC[NH+](CC)CCNC(=O)C[NH+](C)C ZINC000095865658 322943927 /nfs/dbraw/zinc/94/39/27/322943927.db2.gz RDNXYLUZGKDADY-UHFFFAOYSA-N 2 0 201.314 0.006 20 0 BCADRP Cn1cc(CN[C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)nn1 ZINC000671760114 487829593 /nfs/dbraw/zinc/82/95/93/487829593.db2.gz DXAZLPHWOMWLSP-AVGNSLFASA-N 2 0 249.362 0.778 20 0 BCADRP CN(C)c1ncc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000414931525 487830149 /nfs/dbraw/zinc/83/01/49/487830149.db2.gz USGZLTZWLQBGTK-NWDGAFQWSA-N 2 0 249.362 0.902 20 0 BCADRP CC(C)([NH3+])CNC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911846206 639855811 /nfs/dbraw/zinc/85/58/11/639855811.db2.gz OFKYTFROJHANDE-MRVPVSSYSA-N 2 0 215.341 0.603 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)OC ZINC000234727002 487868471 /nfs/dbraw/zinc/86/84/71/487868471.db2.gz FYIJHMOIHBBUTD-VHSXEESVSA-N 2 0 204.314 0.365 20 0 BCADRP Cn1cncc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000085170904 322961273 /nfs/dbraw/zinc/96/12/73/322961273.db2.gz BRYCCMZRPOMDEP-UHFFFAOYSA-N 2 0 222.336 0.981 20 0 BCADRP C[C@]1(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CCC[NH2+]1 ZINC000518360966 322961920 /nfs/dbraw/zinc/96/19/20/322961920.db2.gz HWXKUTMCOLSZBJ-SBFPOUOMSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000569455637 322966798 /nfs/dbraw/zinc/96/67/98/322966798.db2.gz OMTDNCCTSFFJRQ-OPRDCNLKSA-N 2 0 213.325 0.213 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@H](C[NH3+])C1 ZINC000309496388 487887968 /nfs/dbraw/zinc/88/79/68/487887968.db2.gz UASWDYVWUCNTMP-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@@H]1C[N@H+](CCOCC[NH3+])[C@@H](C)CO1 ZINC000403808061 487891702 /nfs/dbraw/zinc/89/17/02/487891702.db2.gz JYQQVZXUPITFHU-WDEREUQCSA-N 2 0 216.325 0.461 20 0 BCADRP CC[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)[C@H](C)CO1 ZINC000403818394 487891781 /nfs/dbraw/zinc/89/17/81/487891781.db2.gz MOOZXJKEYPMKIK-CHWSQXEVSA-N 2 0 241.379 0.391 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000582554318 487917008 /nfs/dbraw/zinc/91/70/08/487917008.db2.gz JQIAJSZTEKLHHI-UPJWGTAASA-N 2 0 244.379 0.392 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000194842424 487920202 /nfs/dbraw/zinc/92/02/02/487920202.db2.gz LRDIKYWFNFYDOM-SKDRFNHKSA-N 2 0 233.315 0.337 20 0 BCADRP O=C(C[NH2+]C1CC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000157800568 487921188 /nfs/dbraw/zinc/92/11/88/487921188.db2.gz RXSKOXKTZIQRGW-RYUDHWBXSA-N 2 0 237.347 0.481 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000194871199 487921789 /nfs/dbraw/zinc/92/17/89/487921789.db2.gz HRUKCZFDLUWMPE-BXKDBHETSA-N 2 0 233.315 0.164 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)[NH+](C)C ZINC000679354766 487927102 /nfs/dbraw/zinc/92/71/02/487927102.db2.gz ZNHZVHLGTLQRJQ-SRVKXCTJSA-N 2 0 239.363 0.489 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396444228 487933334 /nfs/dbraw/zinc/93/33/34/487933334.db2.gz AZZDODPREOXXPE-LLVKDONJSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]CCN(C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000417550315 487935082 /nfs/dbraw/zinc/93/50/82/487935082.db2.gz KZGFMTXNNRLKOE-JTQLQIEISA-N 2 0 242.367 0.330 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659555619 487936435 /nfs/dbraw/zinc/93/64/35/487936435.db2.gz NFJKWINZGFIEDO-DTWKUNHWSA-N 2 0 230.356 0.491 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000188754164 487949376 /nfs/dbraw/zinc/94/93/76/487949376.db2.gz VPNJJOLQFVLFAD-GXSJLCMTSA-N 2 0 243.326 0.287 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)CC1CC[NH2+]CC1 ZINC000569453349 322966510 /nfs/dbraw/zinc/96/65/10/322966510.db2.gz VWLLRQGHSBDYBC-UHFFFAOYSA-N 2 0 241.379 0.880 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000569574464 322970816 /nfs/dbraw/zinc/97/08/16/322970816.db2.gz DMFCGNQPADVTIQ-WDEREUQCSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@@H](C(=O)NC(C)(C)C[NH+](C)C)[NH+]1CC(C)C1 ZINC000569589823 322971334 /nfs/dbraw/zinc/97/13/34/322971334.db2.gz NQQZJOAGBMUHRW-NSHDSACASA-N 2 0 241.379 0.783 20 0 BCADRP [NH3+]CC1(C(=O)NCC[C@H]2CC[NH2+]C2)CCCC1 ZINC000572600168 322971403 /nfs/dbraw/zinc/97/14/03/322971403.db2.gz DHNNFZSRRKXKCS-LLVKDONJSA-N 2 0 239.363 0.621 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000569603564 322972501 /nfs/dbraw/zinc/97/25/01/322972501.db2.gz RJSASJYUNOAJFW-VWYCJHECSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)[C@H]2CC[NH2+]C2)C1 ZINC000561182740 322996621 /nfs/dbraw/zinc/99/66/21/322996621.db2.gz OOXYMJABYVCVGS-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449606211 323000714 /nfs/dbraw/zinc/00/07/14/323000714.db2.gz YEIRQCOGTXOHRF-BDAKNGLRSA-N 2 0 201.314 0.180 20 0 BCADRP CC(C)COC[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000566481883 323001229 /nfs/dbraw/zinc/00/12/29/323001229.db2.gz HNGTUVKRBQICQA-RWMBFGLXSA-N 2 0 244.379 0.879 20 0 BCADRP C[NH2+]CC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000566619881 323007407 /nfs/dbraw/zinc/00/74/07/323007407.db2.gz UUOKMOXHOZAQKC-UHFFFAOYSA-N 2 0 205.261 0.448 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000566678754 323010271 /nfs/dbraw/zinc/01/02/71/323010271.db2.gz JLLMYQMDIYQLSH-UTUOFQBUSA-N 2 0 239.363 0.666 20 0 BCADRP CN(CCC[NH3+])C(=O)NCC1([NH+](C)C)CCC1 ZINC000562813576 323031117 /nfs/dbraw/zinc/03/11/17/323031117.db2.gz GAVDIEZRFKCMDF-UHFFFAOYSA-N 2 0 242.367 0.461 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H]2CCCCC[NH2+]2)CCC1 ZINC000572976193 323038114 /nfs/dbraw/zinc/03/81/14/323038114.db2.gz KSVVSKWRZYHLHJ-SNVBAGLBSA-N 2 0 225.336 0.516 20 0 BCADRP CC(=O)NCC[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000569723316 323038817 /nfs/dbraw/zinc/03/88/17/323038817.db2.gz JDTGUVBDJCIVHO-JQWIXIFHSA-N 2 0 227.352 0.442 20 0 BCADRP COCCCN(C)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000569745380 323039682 /nfs/dbraw/zinc/03/96/82/323039682.db2.gz UYDPKSGVZKUCIE-OLZOCXBDSA-N 2 0 243.395 0.814 20 0 BCADRP CCOC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000569962456 323045797 /nfs/dbraw/zinc/04/57/97/323045797.db2.gz YDGCXUVDMBVQDB-STQMWFEESA-N 2 0 244.379 0.705 20 0 BCADRP CCOC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000569962455 323045919 /nfs/dbraw/zinc/04/59/19/323045919.db2.gz YDGCXUVDMBVQDB-QWHCGFSZSA-N 2 0 244.379 0.705 20 0 BCADRP C[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000570082160 323049273 /nfs/dbraw/zinc/04/92/73/323049273.db2.gz SAEGKPWNZXQTDF-CYZMBNFOSA-N 2 0 242.363 0.335 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000570103654 323049978 /nfs/dbraw/zinc/04/99/78/323049978.db2.gz AMQOFXXXTPAATC-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000570165794 323051650 /nfs/dbraw/zinc/05/16/50/323051650.db2.gz CVBOTGPIEDJAPQ-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000570265075 323054319 /nfs/dbraw/zinc/05/43/19/323054319.db2.gz KZYMQYAUFKJCTE-WDEREUQCSA-N 2 0 242.367 0.283 20 0 BCADRP [NH3+]CCC1CC[NH+](CCN2CCCC2=O)CC1 ZINC000570403719 323058660 /nfs/dbraw/zinc/05/86/60/323058660.db2.gz SHHODKGJWNRCHW-UHFFFAOYSA-N 2 0 239.363 0.670 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)C[NH2+]CC1CC1)C(F)F ZINC000570569721 323063409 /nfs/dbraw/zinc/06/34/09/323063409.db2.gz FVZYCVGXZMLRBO-MRVPVSSYSA-N 2 0 235.278 0.085 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000570570893 323063568 /nfs/dbraw/zinc/06/35/68/323063568.db2.gz JNYBEPOHZVZATO-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000570630599 323065398 /nfs/dbraw/zinc/06/53/98/323065398.db2.gz FFKBVZNYUAITDU-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP CN(CCOC[C@H]1CCCO1)[C@@H](C[NH3+])C1CC1 ZINC000570682814 323066893 /nfs/dbraw/zinc/06/68/93/323066893.db2.gz ANIOOTRJWNXPJJ-OLZOCXBDSA-N 2 0 242.363 0.851 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000570716171 323068401 /nfs/dbraw/zinc/06/84/01/323068401.db2.gz BRQKTIJJTAKTAF-AXFHLTTASA-N 2 0 244.383 0.929 20 0 BCADRP CC(C)[NH2+]CCCN[C@@H]1C[N@H+](C)C[C@H]1C ZINC000570918476 323074307 /nfs/dbraw/zinc/07/43/07/323074307.db2.gz PGJTZEDQVLDDFD-VXGBXAGGSA-N 2 0 213.369 0.914 20 0 BCADRP C[C@]1(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC[NH2+]C1 ZINC000562976598 323077738 /nfs/dbraw/zinc/07/77/38/323077738.db2.gz JNPDLEZUTYDHII-NOHGZBONSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@]1(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC[NH2+]C1 ZINC000562976597 323077757 /nfs/dbraw/zinc/07/77/57/323077757.db2.gz JNPDLEZUTYDHII-KQXIARHKSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000562981446 323077867 /nfs/dbraw/zinc/07/78/67/323077867.db2.gz LYIFCZNSGCMAIH-MXWKQRLJSA-N 2 0 227.352 0.380 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000309623126 323082587 /nfs/dbraw/zinc/08/25/87/323082587.db2.gz IDYPAZJOSUSYBJ-MWLCHTKSSA-N 2 0 213.325 0.100 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000309815204 323082742 /nfs/dbraw/zinc/08/27/42/323082742.db2.gz VCRPGQDGARYNCS-UTLUCORTSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973560 323088792 /nfs/dbraw/zinc/08/87/92/323088792.db2.gz HVARXZHIGQUUED-NWDGAFQWSA-N 2 0 239.363 0.811 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000563086897 323090651 /nfs/dbraw/zinc/09/06/51/323090651.db2.gz VBZYPGDHYVAGJH-SRVKXCTJSA-N 2 0 239.363 0.395 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000563086895 323090672 /nfs/dbraw/zinc/09/06/72/323090672.db2.gz VBZYPGDHYVAGJH-SDDRHHMPSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000563088880 323091401 /nfs/dbraw/zinc/09/14/01/323091401.db2.gz LCNOOLYTRKSOIZ-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000563091477 323091750 /nfs/dbraw/zinc/09/17/50/323091750.db2.gz BMANHIFXSZKCKZ-NAKRPEOUSA-N 2 0 242.367 0.409 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000563105723 323092660 /nfs/dbraw/zinc/09/26/60/323092660.db2.gz RGZBEKFHMJJLFK-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1CCC[NH2+]1 ZINC000563105624 323092693 /nfs/dbraw/zinc/09/26/93/323092693.db2.gz BHXWDNUWQZVQGU-MNOVXSKESA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+][C@@H](CC(=O)N1CC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000563107048 323092772 /nfs/dbraw/zinc/09/27/72/323092772.db2.gz QZOFVCXROJCQQW-CHWSQXEVSA-N 2 0 247.342 0.506 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000563107553 323092786 /nfs/dbraw/zinc/09/27/86/323092786.db2.gz JBBLMOARHAVAJK-MNOVXSKESA-N 2 0 227.352 0.490 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000563116843 323093314 /nfs/dbraw/zinc/09/33/14/323093314.db2.gz OMTDNCCTSFFJRQ-BBBLOLIVSA-N 2 0 213.325 0.213 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000563116566 323093336 /nfs/dbraw/zinc/09/33/36/323093336.db2.gz JFWBVAGWQHWYPV-IEBDPFPHSA-N 2 0 225.336 0.357 20 0 BCADRP C[NH+](C)CC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000563115121 323093382 /nfs/dbraw/zinc/09/33/82/323093382.db2.gz LGUHTEWGFWAXMS-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]([NH3+])C1CCC1 ZINC000563115751 323093462 /nfs/dbraw/zinc/09/34/62/323093462.db2.gz LSDBVLYQYNZEPL-UJNFCWOMSA-N 2 0 211.309 0.062 20 0 BCADRP C[NH2+]C[C@H]1CCCN1CCOC[C@@H]1CCCO1 ZINC000563154743 323095674 /nfs/dbraw/zinc/09/56/74/323095674.db2.gz VKIAIFGQQVCVQX-OLZOCXBDSA-N 2 0 242.363 0.866 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000563152917 323095916 /nfs/dbraw/zinc/09/59/16/323095916.db2.gz QNVRZGLRQRBZGB-VIFPVBQESA-N 2 0 247.408 0.510 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000563164373 323099147 /nfs/dbraw/zinc/09/91/47/323099147.db2.gz MBIIKHHPTVPPQB-WZRBSPASSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000563209525 323102000 /nfs/dbraw/zinc/10/20/00/323102000.db2.gz JDRYFADFFKUTHJ-WHOHXGKFSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC1)C1C[NH2+]C1 ZINC000571043948 323105086 /nfs/dbraw/zinc/10/50/86/323105086.db2.gz GOXMBVHKVULHAB-SNVBAGLBSA-N 2 0 239.363 0.395 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)COC)[C@H](C)C1 ZINC000531711375 323112011 /nfs/dbraw/zinc/11/20/11/323112011.db2.gz VPRHVFXNIMMSFP-AGIUHOORSA-N 2 0 244.379 0.704 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC000563339952 323119308 /nfs/dbraw/zinc/11/93/08/323119308.db2.gz XSYGLPKZYCHCIR-UHFFFAOYSA-N 2 0 213.325 0.311 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000563415760 323123488 /nfs/dbraw/zinc/12/34/88/323123488.db2.gz FXGAYOAYVWTRQJ-ONGXEEELSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+][C@H](CNC(=O)CC[NH2+]C1CC1)c1ccccc1 ZINC000563417361 323123711 /nfs/dbraw/zinc/12/37/11/323123711.db2.gz NUQWKNVGJAIZHO-CYBMUJFWSA-N 2 0 247.342 0.945 20 0 BCADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000563452154 323126501 /nfs/dbraw/zinc/12/65/01/323126501.db2.gz UJUAYPFYMUZSNL-TUAOUCFPSA-N 2 0 239.363 0.762 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000563529173 323129102 /nfs/dbraw/zinc/12/91/02/323129102.db2.gz RLNIKHJEYNPKBG-RWMBFGLXSA-N 2 0 244.379 0.846 20 0 BCADRP C[C@]1(CN2CC[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000563622002 323132000 /nfs/dbraw/zinc/13/20/00/323132000.db2.gz CBIPRZAJRSBBRG-AVGNSLFASA-N 2 0 223.364 0.527 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC000571081960 323134995 /nfs/dbraw/zinc/13/49/95/323134995.db2.gz RYNQPDUQCIKHMI-FIQHERPVSA-N 2 0 239.363 0.489 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)CCC[NH3+] ZINC000571083165 323135165 /nfs/dbraw/zinc/13/51/65/323135165.db2.gz GIFYVFBOUSSVAS-GXSJLCMTSA-N 2 0 215.341 0.748 20 0 BCADRP [NH3+]CCCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000571162679 323137085 /nfs/dbraw/zinc/13/70/85/323137085.db2.gz BUPTYICDHSRWEM-UHFFFAOYSA-N 2 0 232.287 0.803 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000161017237 323143149 /nfs/dbraw/zinc/14/31/49/323143149.db2.gz XLYZZWKODPQHEQ-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP FC1(F)CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000259479614 323146659 /nfs/dbraw/zinc/14/66/59/323146659.db2.gz MMVNKSUVZJJSCI-UHFFFAOYSA-N 2 0 233.306 0.623 20 0 BCADRP CCC(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000571539642 323147635 /nfs/dbraw/zinc/14/76/35/323147635.db2.gz ZAYKYKOXNKMLGY-WOPDTQHZSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH+](C)C ZINC000571579714 323148322 /nfs/dbraw/zinc/14/83/22/323148322.db2.gz KJWJCBVAORVXAV-NEPJUHHUSA-N 2 0 241.379 0.642 20 0 BCADRP CN(CCn1ccnc1)Cc1nnc2n1CCC2 ZINC000535034816 323164236 /nfs/dbraw/zinc/16/42/36/323164236.db2.gz KJDKBFKYHUHIBT-UHFFFAOYSA-N 2 0 246.318 0.553 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]([NH3+])C1)[C@H]([NH3+])c1ccccc1 ZINC000152327226 323176479 /nfs/dbraw/zinc/17/64/79/323176479.db2.gz WFNAPAKLWLVHNH-DRZSPHRISA-N 2 0 247.342 0.882 20 0 BCADRP C[C@@H](C(=O)N[C@H](C[NH3+])C1CCCC1)C1C[NH2+]C1 ZINC000563885583 323183333 /nfs/dbraw/zinc/18/33/33/323183333.db2.gz CBUOGQMLOFKBIQ-BXKDBHETSA-N 2 0 239.363 0.476 20 0 BCADRP CNC(=O)CCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000398413336 323185755 /nfs/dbraw/zinc/18/57/55/323185755.db2.gz UQVBTJXVMUENSV-GHMZBOCLSA-N 2 0 227.352 0.633 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC([NH2+]C)CC1 ZINC000519598908 323203680 /nfs/dbraw/zinc/20/36/80/323203680.db2.gz JELRWFIYUFEGCZ-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1COCCN1 ZINC000530182679 323205761 /nfs/dbraw/zinc/20/57/61/323205761.db2.gz YPGHXBGKMGGKTJ-RWMBFGLXSA-N 2 0 239.363 0.191 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COCCN2)CC[N@@H+]1C ZINC000530222436 323218328 /nfs/dbraw/zinc/21/83/28/323218328.db2.gz NDXCEAYPBHDMNI-GRYCIOLGSA-N 2 0 227.352 0.047 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCCN1CCOCC1 ZINC000565155141 323319836 /nfs/dbraw/zinc/31/98/36/323319836.db2.gz CPPOTINEAVZSFA-QWHCGFSZSA-N 2 0 241.379 0.520 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563956813 323331196 /nfs/dbraw/zinc/33/11/96/323331196.db2.gz VGLZZOHWPZAPIF-WISYIIOYSA-N 2 0 237.347 0.337 20 0 BCADRP Cn1ccc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000309257962 323332407 /nfs/dbraw/zinc/33/24/07/323332407.db2.gz GZZANNPBDJACLM-ZYHUDNBSSA-N 2 0 220.320 0.604 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000309265522 323337525 /nfs/dbraw/zinc/33/75/25/323337525.db2.gz CAQZMSANJVSYAK-ZJUUUORDSA-N 2 0 215.341 0.603 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000571683210 323346560 /nfs/dbraw/zinc/34/65/60/323346560.db2.gz GCWIPNJUJHAURL-CABZTGNLSA-N 2 0 237.347 0.480 20 0 BCADRP C[NH2+]Cc1ccccc1NC(=O)CC[NH3+] ZINC000309383861 323365156 /nfs/dbraw/zinc/36/51/56/323365156.db2.gz DTPBZDXICJRTLB-UHFFFAOYSA-N 2 0 207.277 0.693 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000309416908 323394814 /nfs/dbraw/zinc/39/48/14/323394814.db2.gz JJAUUHMMKVEVRK-BBBLOLIVSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H](C(=O)N1CCCC[C@H]1C[NH3+])C1C[NH2+]C1 ZINC000571797791 323482806 /nfs/dbraw/zinc/48/28/06/323482806.db2.gz YOZSTNGMVDINTB-KOLCDFICSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCC(=O)N1 ZINC000571820414 323487155 /nfs/dbraw/zinc/48/71/55/323487155.db2.gz CJKNGIIIBYPJQE-HOSYDEDBSA-N 2 0 225.336 0.515 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C[NH2+]C3CC3)C[C@H]21 ZINC000571873581 323491320 /nfs/dbraw/zinc/49/13/20/323491320.db2.gz UVQLPCOOCOBHIO-MVWJERBFSA-N 2 0 237.347 0.324 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC000041679613 487959358 /nfs/dbraw/zinc/95/93/58/487959358.db2.gz WXNPDKANTURVLC-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC000572402453 323622482 /nfs/dbraw/zinc/62/24/82/323622482.db2.gz NIVXMZSJNUTESD-IUCAKERBSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[C@H](C(=O)NCC[NH+](C)C)[C@H](C)[NH3+] ZINC000399483415 324080407 /nfs/dbraw/zinc/08/04/07/324080407.db2.gz CUIWLXIEXGVPSN-UWVGGRQHSA-N 2 0 215.341 0.284 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NCC1=CC[NH2+]CC1 ZINC000520815366 324110967 /nfs/dbraw/zinc/11/09/67/324110967.db2.gz HRDBBZDTWCIEQI-UHFFFAOYSA-N 2 0 239.363 0.787 20 0 BCADRP C[C@H](C[NH3+])C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000572479658 324120906 /nfs/dbraw/zinc/12/09/06/324120906.db2.gz CXNKHYZAEKMAKQ-SECBINFHSA-N 2 0 236.319 0.677 20 0 BCADRP CCC[C@@H](O)[C@H](CO)[NH2+]Cc1cnc(C)n1C ZINC000572498356 324134645 /nfs/dbraw/zinc/13/46/45/324134645.db2.gz PZVCMUXCOGLEMM-NWDGAFQWSA-N 2 0 241.335 0.340 20 0 BCADRP CCC[C@H](O)[C@H](CO)[NH2+]Cc1cnc(C)n1C ZINC000572498357 324134531 /nfs/dbraw/zinc/13/45/31/324134531.db2.gz PZVCMUXCOGLEMM-RYUDHWBXSA-N 2 0 241.335 0.340 20 0 BCADRP C[NH2+]CC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000083913249 487964924 /nfs/dbraw/zinc/96/49/24/487964924.db2.gz YOVOPUSCSUIOSH-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)c1csc(CC[NH3+])n1 ZINC000564214218 324820521 /nfs/dbraw/zinc/82/05/21/324820521.db2.gz OWBDRYPNVLIYJP-ZETCQYMHSA-N 2 0 242.348 0.111 20 0 BCADRP [NH3+]CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000083913240 487965663 /nfs/dbraw/zinc/96/56/63/487965663.db2.gz QKFCMCJFSUMOSS-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP CN(C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000542978265 325065573 /nfs/dbraw/zinc/06/55/73/325065573.db2.gz ZRPFNEGQTDQWCF-UHFFFAOYSA-N 2 0 230.356 0.093 20 0 BCADRP CNC(=O)CCC[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000131808712 325185342 /nfs/dbraw/zinc/18/53/42/325185342.db2.gz OELUAVFDPWUIIN-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132936986 325255028 /nfs/dbraw/zinc/25/50/28/325255028.db2.gz DIDCVDIMUICVEU-VXGBXAGGSA-N 2 0 241.379 0.973 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000132973190 325257887 /nfs/dbraw/zinc/25/78/87/325257887.db2.gz OQVMXYUGNLLGJF-HBNTYKKESA-N 2 0 225.336 0.195 20 0 BCADRP C[C@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC[NH2+]C1 ZINC000564726163 325805149 /nfs/dbraw/zinc/80/51/49/325805149.db2.gz HVXDLYRWITXMFU-MDZLAQPJSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H](NC[C@@H]([NH3+])C1CC1)[C@H]1CCCC[NH2+]1 ZINC000564827946 325813778 /nfs/dbraw/zinc/81/37/78/325813778.db2.gz BGXZBVRMJDLEMP-YUSALJHKSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC(C[NH3+])CC1 ZINC000564937043 325829416 /nfs/dbraw/zinc/82/94/16/325829416.db2.gz IYYGMHZWJHEDNI-VHSXEESVSA-N 2 0 242.367 0.493 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000564955986 325833680 /nfs/dbraw/zinc/83/36/80/325833680.db2.gz DTBXLVSFUHBOTN-USZNOCQGSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000564956540 325833652 /nfs/dbraw/zinc/83/36/52/325833652.db2.gz NEKDBBJSGRSCAN-WDEREUQCSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CC1(C[NH3+])CC1 ZINC000565597024 325932402 /nfs/dbraw/zinc/93/24/02/325932402.db2.gz QRGPVHXYASPUFO-VIFPVBQESA-N 2 0 213.325 0.215 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000565833906 325962374 /nfs/dbraw/zinc/96/23/74/325962374.db2.gz UHZZJUCPUNADNK-FRRDWIJNSA-N 2 0 223.364 0.670 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000566206426 326005270 /nfs/dbraw/zinc/00/52/70/326005270.db2.gz KILIKXWBTUKCNF-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCCNc1cc[nH+]cc1 ZINC000566171717 326005921 /nfs/dbraw/zinc/00/59/21/326005921.db2.gz QPIVDNCMSXHCCW-LLVKDONJSA-N 2 0 236.319 0.015 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCCNc1cc[nH+]cc1 ZINC000566171682 326006158 /nfs/dbraw/zinc/00/61/58/326006158.db2.gz JYALXKCVEOLHNL-UHFFFAOYSA-N 2 0 236.319 0.017 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)c1ccnc(C[NH3+])c1 ZINC000566200482 326011715 /nfs/dbraw/zinc/01/17/15/326011715.db2.gz WTYGUADJCUUPTK-LBPRGKRZSA-N 2 0 248.330 0.364 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C2([NH3+])CCC2)C1 ZINC000566201704 326012031 /nfs/dbraw/zinc/01/20/31/326012031.db2.gz YAWBHQBZIZJHFC-UWVGGRQHSA-N 2 0 225.336 0.454 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000566207627 326013729 /nfs/dbraw/zinc/01/37/29/326013729.db2.gz FHSKYVFKPNVNPY-UTLUCORTSA-N 2 0 245.392 0.263 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000566207537 326013887 /nfs/dbraw/zinc/01/38/87/326013887.db2.gz FHSKYVFKPNVNPY-AEJSXWLSSA-N 2 0 245.392 0.263 20 0 BCADRP CN(C(=O)CC[C@H]1CC[NH2+]C1)[C@H](C[NH3+])C1CC1 ZINC000566212882 326014139 /nfs/dbraw/zinc/01/41/39/326014139.db2.gz ICVSQUOLUDEPIX-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000566214647 326015066 /nfs/dbraw/zinc/01/50/66/326015066.db2.gz WMKGPOKRPJTYAS-PHIMTYICSA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+]C1(c2noc([C@]3(F)CC[NH2+]C3)n2)CCCC1 ZINC000566215822 326015579 /nfs/dbraw/zinc/01/55/79/326015579.db2.gz WCIKPTKXJLQDRY-JTQLQIEISA-N 2 0 240.282 0.956 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000566230013 326019128 /nfs/dbraw/zinc/01/91/28/326019128.db2.gz ZKKSDSITNACWSQ-VXGBXAGGSA-N 3 0 211.353 0.703 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000566244582 326022576 /nfs/dbraw/zinc/02/25/76/326022576.db2.gz YZHLWYIYQWFAHU-JGVFFNPUSA-N 2 0 235.278 0.179 20 0 BCADRP C[NH2+]CC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000566244759 326022848 /nfs/dbraw/zinc/02/28/48/326022848.db2.gz LJRSUGSKSBITFZ-LBPRGKRZSA-N 3 0 225.380 0.917 20 0 BCADRP C[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000566249303 326024297 /nfs/dbraw/zinc/02/42/97/326024297.db2.gz RDEUHLZIBKJSDE-VXNVDRBHSA-N 2 0 234.303 0.183 20 0 BCADRP O=C([C@H]1CCCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000566252113 326024761 /nfs/dbraw/zinc/02/47/61/326024761.db2.gz GQHVVPSWWVCJHG-IJLUTSLNSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCCC[NH2+]C1CC1 ZINC000566256875 326025743 /nfs/dbraw/zinc/02/57/43/326025743.db2.gz OFMRPACEBKSFGS-SECBINFHSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566287070 326029309 /nfs/dbraw/zinc/02/93/09/326029309.db2.gz XJTKKYPNZDUXCI-LPEHRKFASA-N 2 0 213.325 0.180 20 0 BCADRP C[NH+](C)CC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000566407710 326040612 /nfs/dbraw/zinc/04/06/12/326040612.db2.gz YICUGSBUDZIIBL-UHFFFAOYSA-N 2 0 225.336 0.278 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000566412406 326040982 /nfs/dbraw/zinc/04/09/82/326040982.db2.gz VVXJQGGKRWRZRQ-GHMZBOCLSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@@H]1CN(CC[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)CCO1 ZINC000566412295 326041507 /nfs/dbraw/zinc/04/15/07/326041507.db2.gz DWSPMIBWYDANHM-YNEHKIRRSA-N 2 0 241.379 0.519 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000566412408 326041523 /nfs/dbraw/zinc/04/15/23/326041523.db2.gz VVXJQGGKRWRZRQ-QWRGUYRKSA-N 2 0 227.352 0.666 20 0 BCADRP Cn1cncc1CCC[N@H+](C)[C@@H]1CCNC1=O ZINC000566417633 326043383 /nfs/dbraw/zinc/04/33/83/326043383.db2.gz ZPBTVVGTKPUJIM-LLVKDONJSA-N 2 0 236.319 0.173 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000566551349 326063359 /nfs/dbraw/zinc/06/33/59/326063359.db2.gz RMBWKUFHDRSXQH-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)[NH2+]C ZINC000566571829 326065305 /nfs/dbraw/zinc/06/53/05/326065305.db2.gz JZDMNQSSRXMXKI-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566739977 326079146 /nfs/dbraw/zinc/07/91/46/326079146.db2.gz LASWGRCEEFISKT-MWGHHZFTSA-N 2 0 237.347 0.323 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)COC1CCC([NH3+])CC1 ZINC000566796202 326082712 /nfs/dbraw/zinc/08/27/12/326082712.db2.gz OJCDPYSIFYHBCB-NKVNRFPTSA-N 2 0 243.351 0.125 20 0 BCADRP C[C@@]1(C(=O)N2CCC[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000566797205 326083900 /nfs/dbraw/zinc/08/39/00/326083900.db2.gz HLSPWAHTOGDJBC-JQWIXIFHSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000566845295 326087193 /nfs/dbraw/zinc/08/71/93/326087193.db2.gz HTPKXTYQJGJYJO-LPEHRKFASA-N 2 0 225.336 0.241 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)NCCNc1cc[nH+]cc1 ZINC000566852973 326087918 /nfs/dbraw/zinc/08/79/18/326087918.db2.gz SNKRGRBVDRDZPE-GFCCVEGCSA-N 2 0 248.330 0.174 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000566913068 326093596 /nfs/dbraw/zinc/09/35/96/326093596.db2.gz PKVSANCNXFNQLS-NHCYSSNCSA-N 2 0 237.347 0.337 20 0 BCADRP C[NH2+]CCN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC000566913726 326093637 /nfs/dbraw/zinc/09/36/37/326093637.db2.gz JHODGSQJQRZSRZ-UHFFFAOYSA-N 2 0 232.287 0.626 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)CC2(C[NH3+])CC2)CC[NH2+]1 ZINC000566972580 326098299 /nfs/dbraw/zinc/09/82/99/326098299.db2.gz KWYLAKPGYYBKIY-UWVGGRQHSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000566982798 326100282 /nfs/dbraw/zinc/10/02/82/326100282.db2.gz NGBCIMHVLHRGLE-LBPRGKRZSA-N 2 0 241.379 0.783 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404880397 326102053 /nfs/dbraw/zinc/10/20/53/326102053.db2.gz JDESXNBBZXPWAF-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H]1CCC[NH2+]C1 ZINC000567047687 326106331 /nfs/dbraw/zinc/10/63/31/326106331.db2.gz RPYAMHVRXDNBMO-NEPJUHHUSA-N 2 0 239.363 0.492 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000567061197 326108070 /nfs/dbraw/zinc/10/80/70/326108070.db2.gz PHBYMORHFKZMNQ-VIFPVBQESA-N 2 0 213.325 0.147 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000567108375 326117049 /nfs/dbraw/zinc/11/70/49/326117049.db2.gz KNOGCDBRFPOZQI-OUAUKWLOSA-N 2 0 225.336 0.182 20 0 BCADRP CNC(=O)c1cccc(CC[NH2+]CC(C)(C)[NH3+])c1 ZINC000567166492 326127765 /nfs/dbraw/zinc/12/77/65/326127765.db2.gz BIFZBCZTJQHUGL-UHFFFAOYSA-N 2 0 249.358 0.916 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000567240827 326148933 /nfs/dbraw/zinc/14/89/33/326148933.db2.gz CQRCHXXYMDPQIM-JTQLQIEISA-N 2 0 242.367 0.352 20 0 BCADRP C[C@@H](CNc1cc[nH+]cc1C(N)=O)[NH+](C)C ZINC000309589732 326161352 /nfs/dbraw/zinc/16/13/52/326161352.db2.gz UKQKJRZADMLDFA-QMMMGPOBSA-N 2 0 222.292 0.543 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567354092 326172058 /nfs/dbraw/zinc/17/20/58/326172058.db2.gz XAQWVDNWXXWZMI-YFKTTZPYSA-N 2 0 239.363 0.522 20 0 BCADRP C[NH2+]CCC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000567353619 326172601 /nfs/dbraw/zinc/17/26/01/326172601.db2.gz BKERZOAJIMCYPC-ZDUSSCGKSA-N 2 0 247.342 0.681 20 0 BCADRP [NH3+]C[C@@H]1CCCN1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000567362549 326174411 /nfs/dbraw/zinc/17/44/11/326174411.db2.gz GNKQELSCBQWTMG-MNOVXSKESA-N 2 0 240.351 0.261 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000567406973 326184550 /nfs/dbraw/zinc/18/45/50/326184550.db2.gz YCRJFLMGRYPHMV-UWVGGRQHSA-N 2 0 213.325 0.243 20 0 BCADRP COC[C@@H](C)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000310250759 326188319 /nfs/dbraw/zinc/18/83/19/326188319.db2.gz NZJXIZZAWVUTME-STQMWFEESA-N 2 0 241.379 0.248 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)N(C)CCC[NH3+] ZINC000567477799 326200594 /nfs/dbraw/zinc/20/05/94/326200594.db2.gz VJQRLKUVYJPUEY-UHFFFAOYSA-N 2 0 244.383 0.709 20 0 BCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C)C1 ZINC000155671824 326206735 /nfs/dbraw/zinc/20/67/35/326206735.db2.gz SGJIBCANTVMYQU-GFCCVEGCSA-N 2 0 241.379 0.642 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000567505068 326206748 /nfs/dbraw/zinc/20/67/48/326206748.db2.gz LFXSQZYDIZCPQQ-VWYCJHECSA-N 2 0 227.352 0.428 20 0 BCADRP CCC[C@@H](C(=O)NCC[N@H+](C)CC)[NH+](C)C ZINC000155882042 326213648 /nfs/dbraw/zinc/21/36/48/326213648.db2.gz SZRBUJDTSPCUBO-NSHDSACASA-N 2 0 229.368 0.785 20 0 BCADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000567639079 326236217 /nfs/dbraw/zinc/23/62/17/326236217.db2.gz RDQNVMDNBSORPS-GFCCVEGCSA-N 2 0 247.342 0.769 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000567655662 326239889 /nfs/dbraw/zinc/23/98/89/326239889.db2.gz KWOWLNMCJRHNEM-IRCOFANPSA-N 2 0 239.363 0.631 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+]C[C@H](C)O ZINC000567710864 326249334 /nfs/dbraw/zinc/24/93/34/326249334.db2.gz UFRHTDNVWQKHCC-NSHDSACASA-N 2 0 218.341 0.315 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000567731996 326252817 /nfs/dbraw/zinc/25/28/17/326252817.db2.gz JFJCUMKNTSPVDC-WCQYABFASA-N 2 0 241.379 0.914 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000567817532 326262367 /nfs/dbraw/zinc/26/23/67/326262367.db2.gz ZNFUABDLBQSMMN-MNXVOIDGSA-N 2 0 249.358 0.196 20 0 BCADRP CC[NH2+]CCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000567834898 326265777 /nfs/dbraw/zinc/26/57/77/326265777.db2.gz QNYLEWFCPIVVDL-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000567834640 326266100 /nfs/dbraw/zinc/26/61/00/326266100.db2.gz QTMFYODHYVFKOO-CMPLNLGQSA-N 2 0 235.331 0.930 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000567833977 326266231 /nfs/dbraw/zinc/26/62/31/326266231.db2.gz RJLFLKIRVAZUFM-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1coc(C[NH3+])c1 ZINC000567835936 326266702 /nfs/dbraw/zinc/26/67/02/326266702.db2.gz RBIMQWDOWBVKRD-LDYMZIIASA-N 2 0 237.303 0.466 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CCC2(CC[NH2+]2)CC1 ZINC000567842566 326268195 /nfs/dbraw/zinc/26/81/95/326268195.db2.gz SHOPHYOEFQXJDZ-LLVKDONJSA-N 2 0 237.347 0.341 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000567846934 326268943 /nfs/dbraw/zinc/26/89/43/326268943.db2.gz XDYMHCZMZWMJNE-DCAQKATOSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000567846456 326268996 /nfs/dbraw/zinc/26/89/96/326268996.db2.gz CGHSZIONICYXPM-HBNTYKKESA-N 2 0 227.352 0.413 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000567847263 326269290 /nfs/dbraw/zinc/26/92/90/326269290.db2.gz FYFZFSLEUCPYKZ-UTUOFQBUSA-N 2 0 237.347 0.196 20 0 BCADRP CC(C)C[N@@H+]1CCC[C@H](CNC(N)=[NH2+])C1 ZINC000157362632 326270882 /nfs/dbraw/zinc/27/08/82/326270882.db2.gz ZGWBOVUSFLTBBD-SNVBAGLBSA-N 2 0 212.341 0.837 20 0 BCADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+]CC1CC[NH2+]CC1 ZINC000567870874 326273367 /nfs/dbraw/zinc/27/33/67/326273367.db2.gz UELRKMSIQKACPD-LBPRGKRZSA-N 3 0 225.380 0.965 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000567897270 326278951 /nfs/dbraw/zinc/27/89/51/326278951.db2.gz RVOZMFZKHHJUEY-SNVBAGLBSA-N 2 0 227.352 0.346 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)c1coc(C[NH3+])c1 ZINC000567908979 326281288 /nfs/dbraw/zinc/28/12/88/326281288.db2.gz WJLHVHMGKIFSFM-JTQLQIEISA-N 2 0 239.319 0.842 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000567907875 326281296 /nfs/dbraw/zinc/28/12/96/326281296.db2.gz DGGWBGBMYRMYQO-DTWKUNHWSA-N 2 0 249.305 0.569 20 0 BCADRP CC1(NC(=O)CC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000567915722 326282816 /nfs/dbraw/zinc/28/28/16/326282816.db2.gz IDIXEFRIQUNHDS-UHFFFAOYSA-N 2 0 239.363 0.634 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000567925536 326284174 /nfs/dbraw/zinc/28/41/74/326284174.db2.gz OASMBNLCYJVDEP-JLIMGVALSA-N 2 0 215.341 0.602 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000567925611 326284313 /nfs/dbraw/zinc/28/43/13/326284313.db2.gz PDXAJSREPFPMBF-LPEHRKFASA-N 2 0 245.392 0.324 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000567926252 326284472 /nfs/dbraw/zinc/28/44/72/326284472.db2.gz DRHOVVLZKQJHAN-UTINFBMNSA-N 2 0 213.325 0.165 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CO)[C@H]1C ZINC000568181188 326321451 /nfs/dbraw/zinc/32/14/51/326321451.db2.gz MZCXNXPJVVAYNQ-UPJWGTAASA-N 2 0 244.379 0.392 20 0 BCADRP C[NH2+]Cc1ccc(NC(=O)[C@H](C)[NH2+]C)cc1 ZINC000568231481 326330524 /nfs/dbraw/zinc/33/05/24/326330524.db2.gz VNSMTGDBRJBKNN-VIFPVBQESA-N 2 0 221.304 0.952 20 0 BCADRP O=C(C[NH2+]C1CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000158803762 326343556 /nfs/dbraw/zinc/34/35/56/326343556.db2.gz GVOOTRVYJHBUAG-PHIMTYICSA-N 2 0 223.320 0.091 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000568509286 326361022 /nfs/dbraw/zinc/36/10/22/326361022.db2.gz KADYUPNMUFBRLU-MDZLAQPJSA-N 2 0 237.347 0.102 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)CC[NH3+])CC1 ZINC000568507945 326361089 /nfs/dbraw/zinc/36/10/89/326361089.db2.gz QNNQNPQXZBJFCJ-JTQLQIEISA-N 2 0 213.325 0.278 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000568509336 326361150 /nfs/dbraw/zinc/36/11/50/326361150.db2.gz LUSBHHXBDUKMBD-KOLCDFICSA-N 2 0 221.304 0.540 20 0 BCADRP FC(F)[C@H]1C[NH2+]CCN1CC[C@H]1CCC[NH2+]C1 ZINC000568512137 326361278 /nfs/dbraw/zinc/36/12/78/326361278.db2.gz IPWLQEWEWLRMED-GHMZBOCLSA-N 2 0 247.333 0.915 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000568511491 326361466 /nfs/dbraw/zinc/36/14/66/326361466.db2.gz NJJYJVXSIQVDEY-VIFPVBQESA-N 2 0 248.330 0.694 20 0 BCADRP C[C@]1(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000568510839 326361482 /nfs/dbraw/zinc/36/14/82/326361482.db2.gz BUFFJOHAUCZTAX-TUAOUCFPSA-N 3 0 211.353 0.703 20 0 BCADRP CC[NH2+]CCCNC(=O)NCCC[NH2+]C1CC1 ZINC000568856401 326378756 /nfs/dbraw/zinc/37/87/56/326378756.db2.gz XOXRDHMVZWLUEF-UHFFFAOYSA-N 2 0 242.367 0.427 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]1CCC[NH2+]C1)[C@@H](C)[NH3+] ZINC000568870772 326380434 /nfs/dbraw/zinc/38/04/34/326380434.db2.gz QGHVIERDMMQVGY-WOPDTQHZSA-N 2 0 241.379 0.722 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000568869401 326380465 /nfs/dbraw/zinc/38/04/65/326380465.db2.gz ZMLYDHBTEYQVGX-HBNTYKKESA-N 2 0 227.352 0.665 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000568879352 326380957 /nfs/dbraw/zinc/38/09/57/326380957.db2.gz XOIOFOHYCSBEKW-NXEZZACHSA-N 2 0 227.352 0.522 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000568901342 326381971 /nfs/dbraw/zinc/38/19/71/326381971.db2.gz UHUYTHFMHAQUFG-MNOVXSKESA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000568900722 326382153 /nfs/dbraw/zinc/38/21/53/326382153.db2.gz DHQWVAOAUYNQRJ-VIFPVBQESA-N 2 0 213.325 0.147 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000569105957 326390339 /nfs/dbraw/zinc/39/03/39/326390339.db2.gz DFWHCWPBYBRLAT-UKKRHICBSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000569105958 326390533 /nfs/dbraw/zinc/39/05/33/326390533.db2.gz DFWHCWPBYBRLAT-ZNSHCXBVSA-N 2 0 225.336 0.323 20 0 BCADRP C(C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000569104815 326390538 /nfs/dbraw/zinc/39/05/38/326390538.db2.gz YSQRDEIVZCVMLV-OLZOCXBDSA-N 2 0 239.363 0.002 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569116995 326391020 /nfs/dbraw/zinc/39/10/20/326391020.db2.gz FFAHTYCPGVKETN-GRYCIOLGSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[C@@H](C)[NH3+])[NH+](C)C ZINC000569124523 326392130 /nfs/dbraw/zinc/39/21/30/326392130.db2.gz UUAYCROXSKJJNW-VWYCJHECSA-N 2 0 229.368 0.815 20 0 BCADRP C[C@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000569223076 326396009 /nfs/dbraw/zinc/39/60/09/326396009.db2.gz TWBZZOFSQOAACT-XWLWVQCSSA-N 2 0 225.336 0.167 20 0 BCADRP CC(C)[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000572868619 326415628 /nfs/dbraw/zinc/41/56/28/326415628.db2.gz UCPBGJZFZKWLIV-ZDUSSCGKSA-N 2 0 239.363 0.442 20 0 BCADRP Cn1ncnc1C[NH2+]CCCC[NH+](C)C ZINC000083970940 487976321 /nfs/dbraw/zinc/97/63/21/487976321.db2.gz GCROXNMHCCPELW-UHFFFAOYSA-N 2 0 211.313 0.247 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000446408940 487980936 /nfs/dbraw/zinc/98/09/36/487980936.db2.gz POPZSIKTGVBNND-WZRBSPASSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000158869429 487981122 /nfs/dbraw/zinc/98/11/22/487981122.db2.gz GGIAELCFSFAUDJ-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CCC[NH3+] ZINC000123349413 487994086 /nfs/dbraw/zinc/99/40/86/487994086.db2.gz IDTYZWSXERUDPO-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@]1(C(=O)N2CCC[NH2+]CC2)CCC[NH2+]C1 ZINC000062853862 487998189 /nfs/dbraw/zinc/99/81/89/487998189.db2.gz QPAIILWOGYPWAB-LBPRGKRZSA-N 2 0 225.336 0.198 20 0 BCADRP C[C@@H](C(=O)NCC1([NH+](C)C)CCC1)[NH+](C)C ZINC000682168975 488000242 /nfs/dbraw/zinc/00/02/42/488000242.db2.gz UFAKDVHFBPRACY-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000309632010 488003426 /nfs/dbraw/zinc/00/34/26/488003426.db2.gz KVUGBTWLHNGOJZ-SNVBAGLBSA-N 2 0 213.325 0.244 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000309640310 488004395 /nfs/dbraw/zinc/00/43/95/488004395.db2.gz ULGHDLHLYJSFEX-VIFPVBQESA-N 2 0 211.309 0.065 20 0 BCADRP CC(C)[NH2+]CC(=O)NCCC1CC[NH+](C)CC1 ZINC000229944112 488005434 /nfs/dbraw/zinc/00/54/34/488005434.db2.gz CGUZOZWZPWWPCF-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+]CCCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000309645779 488010169 /nfs/dbraw/zinc/01/01/69/488010169.db2.gz QHMHVGNMDNWTTP-JTQLQIEISA-N 2 0 213.325 0.102 20 0 BCADRP [NH3+]C[C@H](NC(=O)CC1([NH3+])CCC1)C1CC1 ZINC000309648641 488011423 /nfs/dbraw/zinc/01/14/23/488011423.db2.gz WXAMHLGTIWBRGP-VIFPVBQESA-N 2 0 211.309 0.111 20 0 BCADRP C[C@]1(C(N)=O)CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000235739779 488012969 /nfs/dbraw/zinc/01/29/69/488012969.db2.gz AACUOWAMOXRTCO-ZDUSSCGKSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@]1(C(N)=O)CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000235741080 488013049 /nfs/dbraw/zinc/01/30/49/488013049.db2.gz GZDIHWDUHQETOA-AAEUAGOBSA-N 2 0 239.363 0.573 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226868736 488033350 /nfs/dbraw/zinc/03/33/50/488033350.db2.gz QBTHYYJPHZBXBS-LPEHRKFASA-N 2 0 213.325 0.193 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000084182050 488033733 /nfs/dbraw/zinc/03/37/33/488033733.db2.gz FPAHMPCYNZITKU-UHFFFAOYSA-N 2 0 239.363 0.668 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655450425 488040496 /nfs/dbraw/zinc/04/04/96/488040496.db2.gz NQHDWLPMCDZLTC-DMDPSCGWSA-N 2 0 237.347 0.244 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655450675 488042450 /nfs/dbraw/zinc/04/24/50/488042450.db2.gz WUVNGQLJEWSBTA-AAEUAGOBSA-N 2 0 239.363 0.492 20 0 BCADRP C(N1CC[C@H]2CC[NH2+][C@@H]2C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494630 488044299 /nfs/dbraw/zinc/04/42/99/488044299.db2.gz PTXUFCIKFSJSMI-LPWJVIDDSA-N 2 0 221.348 0.280 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)CN(C)[C@@H]1CCCOC1 ZINC000401676069 488046597 /nfs/dbraw/zinc/04/65/97/488046597.db2.gz SSRZYIQHWDBMCO-CHWSQXEVSA-N 2 0 244.379 0.798 20 0 BCADRP CC(C)C[C@H]([NH3+])CNCC12CC(C1)C[NH2+]2 ZINC000663500042 488049196 /nfs/dbraw/zinc/04/91/96/488049196.db2.gz IJJBSENSENSEDY-CXQJBGSLSA-N 2 0 211.353 0.701 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000084420009 488051436 /nfs/dbraw/zinc/05/14/36/488051436.db2.gz JXXAFGAEMKFSPE-SNVBAGLBSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000669491123 488052138 /nfs/dbraw/zinc/05/21/38/488052138.db2.gz MPZVWGPWMMMPKE-KOLCDFICSA-N 2 0 240.351 0.117 20 0 BCADRP C[NH+]1CCC(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000221693044 488055019 /nfs/dbraw/zinc/05/50/19/488055019.db2.gz QFQFANPDXCNXMS-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]C)C1 ZINC000389150292 488078486 /nfs/dbraw/zinc/07/84/86/488078486.db2.gz JFOAAVXAXUYPQT-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000257676763 488079078 /nfs/dbraw/zinc/07/90/78/488079078.db2.gz HWHUUSVFCGYSSE-VHSXEESVSA-N 2 0 211.309 0.030 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C[NH3+])C1 ZINC000389169807 488079631 /nfs/dbraw/zinc/07/96/31/488079631.db2.gz NNACNANAMJMRME-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC000236691817 488081824 /nfs/dbraw/zinc/08/18/24/488081824.db2.gz GQZSBDHBMXWYTC-LLVKDONJSA-N 2 0 227.352 0.557 20 0 BCADRP CCCN1CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)C1 ZINC000389307817 488087902 /nfs/dbraw/zinc/08/79/02/488087902.db2.gz FNHZRBSBOPGYRN-STQMWFEESA-N 2 0 243.395 0.814 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000257754447 488088219 /nfs/dbraw/zinc/08/82/19/488088219.db2.gz QFNCFTBKFHBCOP-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCCC1CC[NH2+]CC1 ZINC000653268241 488090990 /nfs/dbraw/zinc/09/09/90/488090990.db2.gz BIYPRCKOSZJFFI-SNVBAGLBSA-N 2 0 227.352 0.348 20 0 BCADRP C[NH2+]CCCC(=O)NCCC1CC[NH2+]CC1 ZINC000653268268 488091332 /nfs/dbraw/zinc/09/13/32/488091332.db2.gz CRWUVGLNJNTMCN-UHFFFAOYSA-N 2 0 227.352 0.492 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CC2)C1 ZINC000389428795 488095687 /nfs/dbraw/zinc/09/56/87/488095687.db2.gz XNCPAYGUFAVWNL-VIFPVBQESA-N 2 0 211.309 0.078 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000389437366 488096046 /nfs/dbraw/zinc/09/60/46/488096046.db2.gz MXLRDVYYPUVTHL-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP Cc1ncc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)n1C ZINC000667712351 488097349 /nfs/dbraw/zinc/09/73/49/488097349.db2.gz DBGSRTUPBBUJOB-GHMZBOCLSA-N 2 0 220.320 0.380 20 0 BCADRP c1nc2n(c1CN1C[C@@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000667712458 488097430 /nfs/dbraw/zinc/09/74/30/488097430.db2.gz GRMUYEOKTOMAPK-QWRGUYRKSA-N 2 0 232.331 0.481 20 0 BCADRP c1nc2n(c1CN1C[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000667712457 488097589 /nfs/dbraw/zinc/09/75/89/488097589.db2.gz GRMUYEOKTOMAPK-PHIMTYICSA-N 2 0 232.331 0.481 20 0 BCADRP C1C[NH2+][C@@H](c2noc([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000258140309 488102763 /nfs/dbraw/zinc/10/27/63/488102763.db2.gz VIZOOWKSWUPXME-RKDXNWHRSA-N 2 0 222.292 0.961 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CC1 ZINC000237142275 488103075 /nfs/dbraw/zinc/10/30/75/488103075.db2.gz NTZCUDGLFZLKIV-WOPDTQHZSA-N 2 0 239.363 0.570 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000092953195 488104582 /nfs/dbraw/zinc/10/45/82/488104582.db2.gz URTTUQPFZWOWER-IJLUTSLNSA-N 2 0 239.363 0.442 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000092955082 488105185 /nfs/dbraw/zinc/10/51/85/488105185.db2.gz TUSVDVPRONYMLT-JQWIXIFHSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000092955081 488104612 /nfs/dbraw/zinc/10/46/12/488104612.db2.gz TUSVDVPRONYMLT-CMPLNLGQSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000669509151 488109028 /nfs/dbraw/zinc/10/90/28/488109028.db2.gz PWGSUMYVRQRIMT-GFCCVEGCSA-N 2 0 227.352 0.634 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000669509605 488109833 /nfs/dbraw/zinc/10/98/33/488109833.db2.gz HHTHMJYGHGNZCL-UTUOFQBUSA-N 2 0 239.363 0.633 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669509693 488109913 /nfs/dbraw/zinc/10/99/13/488109913.db2.gz OPWJRJFRBOZTBI-QWRGUYRKSA-N 2 0 227.352 0.633 20 0 BCADRP CN(Cc1ncnn1C)CC1CC[NH+](C)CC1 ZINC000674249723 487537105 /nfs/dbraw/zinc/53/71/05/487537105.db2.gz HKQUAUMZJLMONL-UHFFFAOYSA-N 2 0 237.351 0.589 20 0 BCADRP O=C(C[NH2+]CC1CC1)NC[C@H]1CCCC[NH2+]1 ZINC000669509524 488110000 /nfs/dbraw/zinc/11/00/00/488110000.db2.gz ZQNZJBFSMMAPRB-LLVKDONJSA-N 2 0 225.336 0.244 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669509435 488110307 /nfs/dbraw/zinc/11/03/07/488110307.db2.gz DWGJDRMYDMHGOS-ZYHUDNBSSA-N 2 0 227.352 0.762 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000669510311 488112168 /nfs/dbraw/zinc/11/21/68/488112168.db2.gz CCIPRPFLJWKLTD-NSHDSACASA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000669510455 488112728 /nfs/dbraw/zinc/11/27/28/488112728.db2.gz LSBQSZRYILNZGJ-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP CC(C)([NH3+])CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000669510641 488113388 /nfs/dbraw/zinc/11/33/88/488113388.db2.gz DBYQDLFOKAATLH-LLVKDONJSA-N 2 0 235.331 0.930 20 0 BCADRP CCCN(C(=O)CC1([NH3+])CCC1)[C@H]1CC[NH2+]C1 ZINC000669510674 488113418 /nfs/dbraw/zinc/11/34/18/488113418.db2.gz NYUJBIYZZYVIHF-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP C[C@]1(C(=O)NC[C@H]([NH3+])c2ccccc2)CCC[NH2+]1 ZINC000669510721 488113508 /nfs/dbraw/zinc/11/35/08/488113508.db2.gz XNFSXEFUJPRAGB-GXTWGEPZSA-N 2 0 247.342 0.945 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000669511303 488114461 /nfs/dbraw/zinc/11/44/61/488114461.db2.gz FBNQXFCFCBHESV-DDHJBXDOSA-N 2 0 239.363 0.570 20 0 BCADRP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403140654 488115760 /nfs/dbraw/zinc/11/57/60/488115760.db2.gz CZEHFZNSZYKZBT-WISYIIOYSA-N 2 0 212.337 0.674 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000669511856 488116899 /nfs/dbraw/zinc/11/68/99/488116899.db2.gz JULLOQHPWISJOF-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CC1([NH3+])CCC1 ZINC000669511945 488116931 /nfs/dbraw/zinc/11/69/31/488116931.db2.gz OENICVURQLVXLU-QWRGUYRKSA-N 2 0 239.363 0.892 20 0 BCADRP CN(CCC[NH3+])C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000669511937 488116999 /nfs/dbraw/zinc/11/69/99/488116999.db2.gz OAMAJHGBVOPMDH-GFCCVEGCSA-N 2 0 235.331 0.884 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]CC1(C)C ZINC000669512452 488118679 /nfs/dbraw/zinc/11/86/79/488118679.db2.gz XWFYYBCSGNQKPA-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[NH2+]CC1(C)C ZINC000669512398 488118899 /nfs/dbraw/zinc/11/88/99/488118899.db2.gz OUWYCYHTDWHJLP-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H](CS(C)(=O)=O)[NH2+]CCC1(C[NH3+])CC1 ZINC000650745893 488119763 /nfs/dbraw/zinc/11/97/63/488119763.db2.gz QGDHCVCTKFBSKH-SECBINFHSA-N 2 0 234.365 0.138 20 0 BCADRP C[C@H]1CN(C(=O)CC2([NH3+])CCC2)[C@@H](C)C[NH2+]1 ZINC000669513557 488121730 /nfs/dbraw/zinc/12/17/30/488121730.db2.gz JDIHFHLQHXPHIZ-UWVGGRQHSA-N 2 0 225.336 0.467 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000669514757 488124093 /nfs/dbraw/zinc/12/40/93/488124093.db2.gz FXHOPNPRUMHKNB-UTUOFQBUSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H]2C)CC[NH2+]1 ZINC000669514880 488124398 /nfs/dbraw/zinc/12/43/98/488124398.db2.gz OQURFPHYEZVMQM-GRYCIOLGSA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000669514900 488124448 /nfs/dbraw/zinc/12/44/48/488124448.db2.gz QDZOEDALJYDWAQ-QWRGUYRKSA-N 2 0 227.352 0.761 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000669514898 488124571 /nfs/dbraw/zinc/12/45/71/488124571.db2.gz QDZOEDALJYDWAQ-GHMZBOCLSA-N 2 0 227.352 0.761 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000669517948 488128671 /nfs/dbraw/zinc/12/86/71/488128671.db2.gz ZXVXHHVYIKTQAF-NWDGAFQWSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CC1([NH3+])CCC1 ZINC000669518587 488130087 /nfs/dbraw/zinc/13/00/87/488130087.db2.gz FFLYZZAQYZAGHM-JFGNBEQYSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)C[NH2+]C1CC1 ZINC000669518628 488130533 /nfs/dbraw/zinc/13/05/33/488130533.db2.gz URTCNVXDGJFLKM-VDDIYKPWSA-N 2 0 225.336 0.241 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040624528 488131384 /nfs/dbraw/zinc/13/13/84/488131384.db2.gz QZSLUVXCUVGFKP-LBPRGKRZSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000674264555 487540871 /nfs/dbraw/zinc/54/08/71/487540871.db2.gz YSKJTJBSNKTCCG-QWRGUYRKSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H](CO)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000121223099 490080396 /nfs/dbraw/zinc/08/03/96/490080396.db2.gz SXPAQFVATODHLQ-LBPRGKRZSA-N 2 0 235.331 0.832 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H](C)[NH+](C)C ZINC000674287443 487548743 /nfs/dbraw/zinc/54/87/43/487548743.db2.gz DNWRCHDWBJNWRI-NSHDSACASA-N 2 0 229.368 0.737 20 0 BCADRP [NH3+][C@H](C(=O)NC[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000238019906 487550172 /nfs/dbraw/zinc/55/01/72/487550172.db2.gz GPQZOEBXLBNONJ-STQMWFEESA-N 2 0 247.342 0.945 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C[C@@H]1C[NH2+]CCO1 ZINC000662236174 487470972 /nfs/dbraw/zinc/47/09/72/487470972.db2.gz VAGSTUBRHJYTSU-SDDRHHMPSA-N 2 0 227.352 0.177 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484924 487471801 /nfs/dbraw/zinc/47/18/01/487471801.db2.gz NNHSCHVNIKOZAT-JTQLQIEISA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)C[NH+](C)C)CC1 ZINC000167951051 487476211 /nfs/dbraw/zinc/47/62/11/487476211.db2.gz QSJBSMVXLRMMGB-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP CC[C@@H]1CN(C(=O)C[NH+](C)C)CC[C@@H]1[NH3+] ZINC000167999176 487477277 /nfs/dbraw/zinc/47/72/77/487477277.db2.gz KTHCOPCXNRWLII-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000653275183 487491337 /nfs/dbraw/zinc/49/13/37/487491337.db2.gz YNLJDIRTTFVDDC-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP CN(C[C@@H]1CC[NH2+]C1)C[C@H]1CCC[N@@H+]1C ZINC000086188753 487489557 /nfs/dbraw/zinc/48/95/57/487489557.db2.gz WVWUAEAWLQNHQH-VXGBXAGGSA-N 2 0 211.353 0.622 20 0 BCADRP CC[C@@H](C)NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000019843229 487502803 /nfs/dbraw/zinc/50/28/03/487502803.db2.gz HYKAKEQEFWEIRN-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](COC)OC)C1 ZINC000300375672 487511962 /nfs/dbraw/zinc/51/19/62/487511962.db2.gz PUDUUIKLSKSJSW-WDEREUQCSA-N 2 0 216.325 0.189 20 0 BCADRP C[C@]1(C(=O)NC[C@@H]2CCCC[NH2+]2)CCC[NH2+]C1 ZINC000237762895 487512617 /nfs/dbraw/zinc/51/26/17/487512617.db2.gz HHQQAZBTLASZBF-AAEUAGOBSA-N 2 0 239.363 0.634 20 0 BCADRP O[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000107153146 487507651 /nfs/dbraw/zinc/50/76/51/487507651.db2.gz NLECTWJKKXZURH-GFCCVEGCSA-N 2 0 212.337 0.833 20 0 BCADRP O[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000107153157 487507734 /nfs/dbraw/zinc/50/77/34/487507734.db2.gz XPVLHGJSWJJHRV-NEPJUHHUSA-N 2 0 212.337 0.833 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000169808883 487507855 /nfs/dbraw/zinc/50/78/55/487507855.db2.gz QNXVJQNQPJJPIU-MNOVXSKESA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000169808885 487507871 /nfs/dbraw/zinc/50/78/71/487507871.db2.gz QNXVJQNQPJJPIU-QWRGUYRKSA-N 2 0 239.363 0.857 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161651672 487508321 /nfs/dbraw/zinc/50/83/21/487508321.db2.gz KCOBAGYGJZXEGU-QWRGUYRKSA-N 2 0 227.352 0.713 20 0 BCADRP Cc1ncc(C[N@@H+]2CCC[C@](O)(CO)C2)n1C ZINC000668234698 487509732 /nfs/dbraw/zinc/50/97/32/487509732.db2.gz QXGHOOIWNWGRKK-GFCCVEGCSA-N 2 0 239.319 0.048 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000220562131 487518082 /nfs/dbraw/zinc/51/80/82/487518082.db2.gz FHHJAEUFJKWHCV-QWHCGFSZSA-N 2 0 223.364 0.766 20 0 BCADRP CN(CCC[NH3+])C(=O)C1([NH3+])CCCCC1 ZINC000381751358 487521353 /nfs/dbraw/zinc/52/13/53/487521353.db2.gz RHCBLDZSIRBUQW-UHFFFAOYSA-N 2 0 213.325 0.455 20 0 BCADRP Cc1cccnc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000161851028 487521920 /nfs/dbraw/zinc/52/19/20/487521920.db2.gz KVIQYKGTDSAWOL-UHFFFAOYSA-N 2 0 248.374 0.727 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000161899216 487525925 /nfs/dbraw/zinc/52/59/25/487525925.db2.gz WANVFSWDFOGQFM-UTUOFQBUSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H](C(=O)NC1CC[NH+](C)CC1)[NH+](C)C ZINC000674244861 487533945 /nfs/dbraw/zinc/53/39/45/487533945.db2.gz YKHFIFASOVICEP-VIFPVBQESA-N 2 0 213.325 0.147 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000162049535 487534693 /nfs/dbraw/zinc/53/46/93/487534693.db2.gz ZMIHDILHYZNGMA-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP CCn1cc(C[NH2+][C@@H](CCC[NH3+])COC)nn1 ZINC000404472161 488166313 /nfs/dbraw/zinc/16/63/13/488166313.db2.gz ZXENBACMZKYSDN-JTQLQIEISA-N 2 0 241.339 0.142 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(C(=O)[C@H](C)[NH+](C)C)C[C@@H]1C ZINC000677974103 488167859 /nfs/dbraw/zinc/16/78/59/488167859.db2.gz DYPXJRJTGKGGEX-SRVKXCTJSA-N 2 0 241.379 0.878 20 0 BCADRP C[N@H+](CC[C@@H]1CCCO1)CCN1CC[NH2+]CC1 ZINC000087266423 487629694 /nfs/dbraw/zinc/62/96/94/487629694.db2.gz JMRYMSGMAWOEDQ-ZDUSSCGKSA-N 2 0 241.379 0.393 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000154747735 487725920 /nfs/dbraw/zinc/72/59/20/487725920.db2.gz GQHCBSOFDBOUIS-UWVGGRQHSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@@H]1C[C@@H](NCC23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000663499578 488047837 /nfs/dbraw/zinc/04/78/37/488047837.db2.gz DFSCQTFGDACJSK-ZYGVAYEYSA-N 2 0 209.337 0.469 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H](C)C1 ZINC000379446766 488137451 /nfs/dbraw/zinc/13/74/51/488137451.db2.gz XSPOOWFQSPHWEG-VXGBXAGGSA-N 2 0 246.420 0.984 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000258815730 488137492 /nfs/dbraw/zinc/13/74/92/488137492.db2.gz XLUKEQFNOSMTKE-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP CCN(CC[NH3+])CCC[NH+](CC)CC ZINC000230701055 488138927 /nfs/dbraw/zinc/13/89/27/488138927.db2.gz RTCFNULDJVTATQ-UHFFFAOYSA-N 2 0 201.358 0.999 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000236764325 488147740 /nfs/dbraw/zinc/14/77/40/488147740.db2.gz NWVMCYOKKCUWMQ-GFCCVEGCSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)CC1([NH3+])CCC1)C1CC1 ZINC000237133574 488149734 /nfs/dbraw/zinc/14/97/34/488149734.db2.gz PLNWTLNBIOSEJM-NSHDSACASA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC000230775573 488156815 /nfs/dbraw/zinc/15/68/15/488156815.db2.gz FZHIHBBOYKWGGQ-MNOVXSKESA-N 2 0 222.336 0.632 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000085373108 488164353 /nfs/dbraw/zinc/16/43/53/488164353.db2.gz CDJWIPIFSPDBAK-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)CC(C)(C)[NH3+])[C@H]1C ZINC000390526921 488164194 /nfs/dbraw/zinc/16/41/94/488164194.db2.gz HBWBYLQRMGPDCH-BDAKNGLRSA-N 2 0 213.325 0.323 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085373379 488164441 /nfs/dbraw/zinc/16/44/41/488164441.db2.gz PXPXRDIIPKBATH-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+](C)CCCn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000404869139 488182597 /nfs/dbraw/zinc/18/25/97/488182597.db2.gz MMLROZCYDMCEPU-NSHDSACASA-N 2 0 237.351 0.697 20 0 BCADRP C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](C)[NH3+] ZINC000322380580 488182970 /nfs/dbraw/zinc/18/29/70/488182970.db2.gz MZLFWYLLTXOONB-RTWBTXMESA-N 2 0 239.363 0.711 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322363035 488182988 /nfs/dbraw/zinc/18/29/88/488182988.db2.gz BSZQWOYYFYUDIJ-HUAZRZQGSA-N 2 0 225.336 0.465 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322380576 488183196 /nfs/dbraw/zinc/18/31/96/488183196.db2.gz MZLFWYLLTXOONB-IACCCYARSA-N 2 0 239.363 0.711 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000668022609 488188563 /nfs/dbraw/zinc/18/85/63/488188563.db2.gz LAUMVLOSWVJLBO-LLVKDONJSA-N 2 0 239.363 0.633 20 0 BCADRP CNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000299963138 488195585 /nfs/dbraw/zinc/19/55/85/488195585.db2.gz VJDFQPGMRPFVAZ-WDEREUQCSA-N 2 0 225.336 0.054 20 0 BCADRP C[NH+](C)C1(CNC(=O)CC2([NH3+])CC2)CCCC1 ZINC000398061584 488206118 /nfs/dbraw/zinc/20/61/18/488206118.db2.gz GDPYFKVTDDGSJO-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP CN(CC1CC[NH+](C)CC1)C(=O)CC1([NH3+])CC1 ZINC000398067693 488206998 /nfs/dbraw/zinc/20/69/98/488206998.db2.gz DVBJDUWGGBVGKV-UHFFFAOYSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)CC2([NH3+])CC2)CC[N@@H+]1C ZINC000398073943 488207499 /nfs/dbraw/zinc/20/74/99/488207499.db2.gz AVAUGHRBQPFWQP-UWVGGRQHSA-N 2 0 225.336 0.467 20 0 BCADRP CC[NH+](CC)CCCNC(=O)CC1([NH3+])CC1 ZINC000398080301 488208570 /nfs/dbraw/zinc/20/85/70/488208570.db2.gz JQSUGGNKADUYEZ-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP C[C@H]1CN(c2nc(N)[nH+]c3c2CCCC3)CC[NH2+]1 ZINC000231611245 488215328 /nfs/dbraw/zinc/21/53/28/488215328.db2.gz CQFCGHYSAXZWPM-VIFPVBQESA-N 2 0 247.346 0.736 20 0 BCADRP c1cc2n(n1)C[C@@H](C[N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CN2 ZINC000684202700 488275972 /nfs/dbraw/zinc/27/59/72/488275972.db2.gz XUKIOGYQOKAFRY-UTUOFQBUSA-N 2 0 247.346 0.076 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH+](C)C)C1 ZINC000078698746 490057831 /nfs/dbraw/zinc/05/78/31/490057831.db2.gz MGNQAMUHMVOTNS-RYUDHWBXSA-N 2 0 241.379 0.783 20 0 BCADRP CC(=O)NCCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000121465454 490093949 /nfs/dbraw/zinc/09/39/49/490093949.db2.gz CSCGRCJNPITAGY-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCC(=O)N2)CC1 ZINC000079928954 490128192 /nfs/dbraw/zinc/12/81/92/490128192.db2.gz AEDIDYWJWRKRFD-LBPRGKRZSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)NCCC1CC[NH2+]CC1 ZINC000652323826 490187593 /nfs/dbraw/zinc/18/75/93/490187593.db2.gz QAICMLKUDKMERN-SNVBAGLBSA-N 2 0 242.367 0.365 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000575780258 490217471 /nfs/dbraw/zinc/21/74/71/490217471.db2.gz IQGRRUOVFTXROV-GBIKHYSHSA-N 2 0 239.363 0.476 20 0 BCADRP C[C@@H](CNC(=O)[C@H](C)[NH+](C)C)[N@H+](C)C1CC1 ZINC000078711938 490220051 /nfs/dbraw/zinc/22/00/51/490220051.db2.gz IRWLRKFJNQOKBP-UWVGGRQHSA-N 2 0 227.352 0.535 20 0 BCADRP C[C@H]([C@H](C)O)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000070823080 490238648 /nfs/dbraw/zinc/23/86/48/490238648.db2.gz KNSWPWURGNGKFY-OUAUKWLOSA-N 2 0 200.326 0.639 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC000662967293 490246611 /nfs/dbraw/zinc/24/66/11/490246611.db2.gz ZHVPOULPYPFIMZ-SECBINFHSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662968190 490249278 /nfs/dbraw/zinc/24/92/78/490249278.db2.gz GNCWZFUHUAUEOA-SSDOTTSWSA-N 2 0 240.307 0.206 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000070941764 490250549 /nfs/dbraw/zinc/25/05/49/490250549.db2.gz QZJJEUNFTYMBBX-STQMWFEESA-N 2 0 241.379 0.391 20 0 BCADRP C[C@H]1CCCN(C(=O)CCC[NH3+])[C@H]1CC[NH3+] ZINC000653232735 490393797 /nfs/dbraw/zinc/39/37/97/490393797.db2.gz IKOBTGAXNOEKFV-QWRGUYRKSA-N 2 0 227.352 0.701 20 0 BCADRP C([C@H]1CCSC1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000300230659 490552581 /nfs/dbraw/zinc/55/25/81/490552581.db2.gz CCFGJHWGJNKRNF-VWYCJHECSA-N 2 0 212.362 0.891 20 0 BCADRP C[NH+](C)C/C=C\C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000491849942 491080868 /nfs/dbraw/zinc/08/08/68/491080868.db2.gz XALZESZJGYBWOV-BYCRGOAPSA-N 2 0 237.347 0.457 20 0 BCADRP C[NH+](C)CCN1CC[N@@H+](C2CCCC2)CC1=O ZINC000649685759 491090530 /nfs/dbraw/zinc/09/05/30/491090530.db2.gz LNHWPOAGEPOTTO-UHFFFAOYSA-N 2 0 239.363 0.635 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000309367106 491093816 /nfs/dbraw/zinc/09/38/16/491093816.db2.gz BJZUKVYWABBQGW-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C[NH2+]CC1CC1 ZINC000662605021 491107027 /nfs/dbraw/zinc/10/70/27/491107027.db2.gz JRECUBIFDBUZQL-UHFFFAOYSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000662823596 491115594 /nfs/dbraw/zinc/11/55/94/491115594.db2.gz UDCDQGHGSKKZCD-DTWKUNHWSA-N 2 0 201.314 0.226 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000669514403 491122906 /nfs/dbraw/zinc/12/29/06/491122906.db2.gz UNPPUKZSJDUEDR-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334238960 491123806 /nfs/dbraw/zinc/12/38/06/491123806.db2.gz UDXPHOOERRALJM-WCQYABFASA-N 2 0 239.363 0.716 20 0 BCADRP CC(C)([NH3+])CC(=O)NCCC1(C[NH3+])CC1 ZINC000653216040 491128256 /nfs/dbraw/zinc/12/82/56/491128256.db2.gz OXADZEKARRHXLQ-UHFFFAOYSA-N 2 0 213.325 0.359 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCCC1(C[NH3+])CC1 ZINC000653216225 491128278 /nfs/dbraw/zinc/12/82/78/491128278.db2.gz SVPBAQUYZHFKFH-VIFPVBQESA-N 2 0 213.325 0.087 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCCC1(C[NH3+])CC1 ZINC000653215901 491128289 /nfs/dbraw/zinc/12/82/89/491128289.db2.gz HSEBNFNWKULJSH-UHFFFAOYSA-N 2 0 213.325 0.217 20 0 BCADRP [NH3+]CC1(CCNC(=O)C2([NH3+])CCCCC2)CC1 ZINC000653215711 491128444 /nfs/dbraw/zinc/12/84/44/491128444.db2.gz XWKMJCCHKZJOOR-UHFFFAOYSA-N 2 0 239.363 0.893 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000666184250 491131811 /nfs/dbraw/zinc/13/18/11/491131811.db2.gz AYTFDHNTCOOMMT-WCFLWFBJSA-N 2 0 242.363 0.720 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@H]1C[NH3+] ZINC000131913466 491133923 /nfs/dbraw/zinc/13/39/23/491133923.db2.gz SIOFMJIRCJWSOJ-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCC(=O)N(C)C)CC[N@@H+]1C ZINC000132209266 491134783 /nfs/dbraw/zinc/13/47/83/491134783.db2.gz MYAGVJIDDSEIBY-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP C[NH+](C)C[C@@](C)(O)CNc1cc[nH+]c(CO)c1 ZINC000858456343 582460917 /nfs/dbraw/zinc/46/09/17/582460917.db2.gz GBXNRGHGZNEUNJ-LBPRGKRZSA-N 2 0 239.319 0.298 20 0 BCADRP C[C@@H](CC[N@H+](C)CCCO)[NH+](C)CCCO ZINC000440943600 582497028 /nfs/dbraw/zinc/49/70/28/582497028.db2.gz ZBNSZOBWDKVHES-LBPRGKRZSA-N 2 0 232.368 0.393 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000262949927 535493147 /nfs/dbraw/zinc/49/31/47/535493147.db2.gz VIXVUCMTGCXCNH-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000493897308 533805789 /nfs/dbraw/zinc/80/57/89/533805789.db2.gz NDODYNJMQCYJSI-DCAQKATOSA-N 2 0 227.352 0.748 20 0 BCADRP CC[C@@H](C)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000238265382 535514316 /nfs/dbraw/zinc/51/43/16/535514316.db2.gz NBNWZGRJNVPDEP-SNVBAGLBSA-N 2 0 200.326 0.818 20 0 BCADRP C[C@H]([NH2+]CCCN1CCOC1=O)[C@@H]1CCC[NH2+]1 ZINC000496714123 533848671 /nfs/dbraw/zinc/84/86/71/533848671.db2.gz HQAIEJJCDUKBEZ-QWRGUYRKSA-N 2 0 241.335 0.559 20 0 BCADRP C[C@H](NCC[N@H+]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000400367320 533857798 /nfs/dbraw/zinc/85/77/98/533857798.db2.gz SEFZBOJMUSTQNM-STQMWFEESA-N 2 0 223.364 0.978 20 0 BCADRP C[C@H](NCCOCC[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000400438628 533859131 /nfs/dbraw/zinc/85/91/31/533859131.db2.gz LVOABESDBLMUGI-RYUDHWBXSA-N 2 0 229.368 0.295 20 0 BCADRP COC(=O)N1CC([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000496162897 533929689 /nfs/dbraw/zinc/92/96/89/533929689.db2.gz YEHBQQHWVMMVLH-UHFFFAOYSA-N 2 0 241.335 0.544 20 0 BCADRP COC(=O)N1CC([NH2+][C@H](C)CCC[NH3+])C1 ZINC000496697628 533932738 /nfs/dbraw/zinc/93/27/38/533932738.db2.gz KBPRAXVXPGZBNK-MRVPVSSYSA-N 2 0 215.297 0.154 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494661421 534122085 /nfs/dbraw/zinc/12/20/85/534122085.db2.gz MQRHKLIWIGKLJC-QJPTWQEYSA-N 2 0 239.363 0.775 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000892020654 582764780 /nfs/dbraw/zinc/76/47/80/582764780.db2.gz YELJQEBXOJXKGT-OPRDCNLKSA-N 2 0 228.340 0.101 20 0 BCADRP CC(C)([NH3+])CNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892034778 582766581 /nfs/dbraw/zinc/76/65/81/582766581.db2.gz UICXXNSRVNVTSV-CABZTGNLSA-N 2 0 240.351 0.308 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000892037681 582769476 /nfs/dbraw/zinc/76/94/76/582769476.db2.gz JIVKBTRJHHBQRX-GMTAPVOTSA-N 2 0 242.367 0.491 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000892040382 582769906 /nfs/dbraw/zinc/76/99/06/582769906.db2.gz LVNPLUBZZJRGQA-HBNTYKKESA-N 2 0 242.367 0.635 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000892044643 582770648 /nfs/dbraw/zinc/77/06/48/582770648.db2.gz LRMSHZGEBGJAQU-GHMZBOCLSA-N 2 0 242.367 0.494 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892045801 582771731 /nfs/dbraw/zinc/77/17/31/582771731.db2.gz WMPDPJKRHYINHV-DCAQKATOSA-N 2 0 242.367 0.398 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000892045213 582773631 /nfs/dbraw/zinc/77/36/31/582773631.db2.gz RJKDCAHFPWGGOJ-SNVBAGLBSA-N 2 0 242.367 0.317 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)C[C@H](C)[N@H+]1C ZINC000418379447 534343785 /nfs/dbraw/zinc/34/37/85/534343785.db2.gz KMFNJQUBDWTSJT-AXFHLTTASA-N 2 0 240.351 0.082 20 0 BCADRP [NH3+]C/C=C\CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000892124027 582795921 /nfs/dbraw/zinc/79/59/21/582795921.db2.gz OCOPPUUMOYSSDC-ZMWSMAPVSA-N 2 0 226.324 0.024 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CCCC[C@@H]1C[NH2+]C ZINC000892142705 582799676 /nfs/dbraw/zinc/79/96/76/582799676.db2.gz BFGJOIHKWATUSE-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[NH2+]1 ZINC000892289092 582828704 /nfs/dbraw/zinc/82/87/04/582828704.db2.gz BAGRIEJUUIIBCC-ZNSHCXBVSA-N 2 0 240.351 0.163 20 0 BCADRP CC(C)[C@H](C(=O)NCC[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000262590177 534898728 /nfs/dbraw/zinc/89/87/28/534898728.db2.gz QUAMEKJSVMJLFZ-VXGBXAGGSA-N 2 0 241.379 0.688 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000262543961 534900909 /nfs/dbraw/zinc/90/09/09/534900909.db2.gz YNCVCFFLPPRNBW-WDEREUQCSA-N 2 0 227.352 0.441 20 0 BCADRP C([C@H]1CCC[NH2+]C1)N1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000469974254 527493784 /nfs/dbraw/zinc/49/37/84/527493784.db2.gz RHFLOYWWLVUHHK-RWMBFGLXSA-N 2 0 223.364 0.670 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H](O)COC)C[C@H]1C ZINC000508874979 527754541 /nfs/dbraw/zinc/75/45/41/527754541.db2.gz PLPOUKIMAULKGI-JHJVBQTASA-N 2 0 244.379 0.798 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000484693673 528355709 /nfs/dbraw/zinc/35/57/09/528355709.db2.gz HWMLFGWYIYLFQT-SRVKXCTJSA-N 2 0 241.379 0.768 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H]1C ZINC000892568525 582915413 /nfs/dbraw/zinc/91/54/13/582915413.db2.gz VOBARFZEAFFASN-GWOFURMSSA-N 2 0 240.351 0.116 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892567870 582916148 /nfs/dbraw/zinc/91/61/48/582916148.db2.gz MPUAAUDAZNGNGV-KYZUINATSA-N 2 0 228.340 0.102 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NC(C)(C)C[NH3+] ZINC000418419242 528520601 /nfs/dbraw/zinc/52/06/01/528520601.db2.gz YNWATXAYWSPNOL-QMMMGPOBSA-N 2 0 216.329 0.006 20 0 BCADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)/C=C\C[NH+](C)C ZINC000493654558 528825552 /nfs/dbraw/zinc/82/55/52/528825552.db2.gz ZXZGCWQEHJCURC-QDZRJHCZSA-N 2 0 241.379 0.949 20 0 BCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)/C=C\C[NH+](C)C ZINC000493239877 528829462 /nfs/dbraw/zinc/82/94/62/528829462.db2.gz ZXZGCWQEHJCURC-KRZKBDHCSA-N 2 0 241.379 0.949 20 0 BCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)/C=C/C[NH+](C)C ZINC000493239873 528829135 /nfs/dbraw/zinc/82/91/35/528829135.db2.gz ZXZGCWQEHJCURC-GUOLPTJISA-N 2 0 241.379 0.949 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892571335 582917454 /nfs/dbraw/zinc/91/74/54/582917454.db2.gz CFOGGBUCHZOGMW-XYPYZODXSA-N 2 0 242.367 0.317 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000494872673 528969931 /nfs/dbraw/zinc/96/99/31/528969931.db2.gz HDJMSUZWDAPDNN-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@H](CO)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400322380 529023568 /nfs/dbraw/zinc/02/35/68/529023568.db2.gz CIAOOZOTUGTPOR-GRYCIOLGSA-N 2 0 214.353 0.981 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494576562 529053062 /nfs/dbraw/zinc/05/30/62/529053062.db2.gz XIGKDVVAJUZXIB-WDEREUQCSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@H](CCO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400362172 529332223 /nfs/dbraw/zinc/33/22/23/529332223.db2.gz CKVZXLDUCRGGOK-AXFHLTTASA-N 2 0 200.326 0.878 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000261976796 534932954 /nfs/dbraw/zinc/93/29/54/534932954.db2.gz NUONDBGGBRKACW-NSHDSACASA-N 2 0 241.379 0.867 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261977517 534933166 /nfs/dbraw/zinc/93/31/66/534933166.db2.gz VMNTYCXRPGTMMG-JTQLQIEISA-N 2 0 227.352 0.605 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179050629 534995296 /nfs/dbraw/zinc/99/52/96/534995296.db2.gz JRCNCWSJMJWWDY-SNVBAGLBSA-N 2 0 213.325 0.147 20 0 BCADRP CC(C)(C)[C@@H](CO)[NH2+]CC1CC[NH2+]CC1 ZINC000261544247 535047408 /nfs/dbraw/zinc/04/74/08/535047408.db2.gz ISJIPMOICPVVEG-LLVKDONJSA-N 2 0 214.353 0.983 20 0 BCADRP CC(C)C[NH+]1CCC(NC(=O)C[C@H](C)[NH3+])CC1 ZINC000261802931 535068212 /nfs/dbraw/zinc/06/82/12/535068212.db2.gz LGRYSSCRYXVGDW-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000223646909 535160958 /nfs/dbraw/zinc/16/09/58/535160958.db2.gz ZSEGQNVXHALTGD-SDDRHHMPSA-N 2 0 214.353 0.933 20 0 BCADRP CC(C)([NH3+])CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000335358517 535201985 /nfs/dbraw/zinc/20/19/85/535201985.db2.gz KFCCVOVXKUPUPK-VIFPVBQESA-N 2 0 228.340 0.247 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263254410 535206578 /nfs/dbraw/zinc/20/65/78/535206578.db2.gz QJJNENMXJTZIBR-JOYOIKCWSA-N 2 0 227.352 0.748 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000166636839 535224551 /nfs/dbraw/zinc/22/45/51/535224551.db2.gz OSUMFKHRRBLBKP-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP CCCN(C(=O)[C@@H](C)C[NH3+])[C@H]1CC[NH2+]C1 ZINC000261565204 535230406 /nfs/dbraw/zinc/23/04/06/535230406.db2.gz CXUIFOQZGQMCFZ-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000261577347 535307393 /nfs/dbraw/zinc/30/73/93/535307393.db2.gz LBGOMQGPFSUKBW-ATZCPNFKSA-N 2 0 215.341 0.459 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[NH+](C)C ZINC000168721561 535307481 /nfs/dbraw/zinc/30/74/81/535307481.db2.gz QGHLMTPAMAQKMA-SNVBAGLBSA-N 2 0 201.314 0.038 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)[NH+](C)C ZINC000261806445 535323620 /nfs/dbraw/zinc/32/36/20/535323620.db2.gz MFZBVDHPIVWYML-QJPTWQEYSA-N 2 0 241.379 0.768 20 0 BCADRP CC(C)[C@H](C(=O)NC1CC[NH2+]CC1)[NH+](C)C ZINC000262494704 535325777 /nfs/dbraw/zinc/32/57/77/535325777.db2.gz BQPDSLKPMRKQIG-LLVKDONJSA-N 2 0 227.352 0.441 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)C[NH+](C)C ZINC000168683210 535331442 /nfs/dbraw/zinc/33/14/42/535331442.db2.gz KWZBKIHDYOCKOL-LLVKDONJSA-N 2 0 215.341 0.428 20 0 BCADRP CC[NH+]1CCC(CCNC(=O)C[C@@H](C)[NH3+])CC1 ZINC000261672820 535446898 /nfs/dbraw/zinc/44/68/98/535446898.db2.gz AUHLBSPBXKZYOC-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)[NH3+] ZINC000261929263 535480697 /nfs/dbraw/zinc/48/06/97/535480697.db2.gz YRZLHLMXRNVANT-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261911481 535491259 /nfs/dbraw/zinc/49/12/59/535491259.db2.gz XPUNPYOEECTUDB-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000335957371 535534843 /nfs/dbraw/zinc/53/48/43/535534843.db2.gz BVEKVPGOWGMCNT-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)CC[C@H](C)[NH3+])C1 ZINC000250364601 535572744 /nfs/dbraw/zinc/57/27/44/535572744.db2.gz UNJCFRKZNNDVCV-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@@H](O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182964026 535812199 /nfs/dbraw/zinc/81/21/99/535812199.db2.gz RGZRPOJJGGTAPB-CYBMUJFWSA-N 2 0 243.395 0.327 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000261542698 535886418 /nfs/dbraw/zinc/88/64/18/535886418.db2.gz CIHKRVDXNGMOEM-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226877409 535995195 /nfs/dbraw/zinc/99/51/95/535995195.db2.gz JLIZYVNVYCTDJS-DCAQKATOSA-N 2 0 200.326 0.830 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C1CC[NH+](C)CC1 ZINC000344304885 536108421 /nfs/dbraw/zinc/10/84/21/536108421.db2.gz BGMQODMVKZQSQY-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261564127 536108787 /nfs/dbraw/zinc/10/87/87/536108787.db2.gz XMGQZYUGIASJPG-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP C[NH+]1CCC(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261735437 536340890 /nfs/dbraw/zinc/34/08/90/536340890.db2.gz LITXLZDYFQMRQU-CMPLNLGQSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+][C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261549700 536362265 /nfs/dbraw/zinc/36/22/65/536362265.db2.gz PBJJQJXAPNPTNP-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000263097297 536373062 /nfs/dbraw/zinc/37/30/62/536373062.db2.gz ZCBGCLPHVSNMJL-MDZLAQPJSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000133364535 536410624 /nfs/dbraw/zinc/41/06/24/536410624.db2.gz LBVONRVFQBEQOF-CMPLNLGQSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000133364348 536410772 /nfs/dbraw/zinc/41/07/72/536410772.db2.gz LBVONRVFQBEQOF-JQWIXIFHSA-N 2 0 225.336 0.196 20 0 BCADRP COC(=O)[C@H](C)C[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261999390 536603621 /nfs/dbraw/zinc/60/36/21/536603621.db2.gz LELBTJJVJWJBKL-ZYHUDNBSSA-N 2 0 228.336 0.727 20 0 BCADRP COC(=O)[C@H](C)C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261532458 536603422 /nfs/dbraw/zinc/60/34/22/536603422.db2.gz BWVILGDTDLKLMI-MNOVXSKESA-N 2 0 228.336 0.727 20 0 BCADRP COC[C@](C)(CCO)[NH2+]CC1CC[NH2+]CC1 ZINC000178977576 536628881 /nfs/dbraw/zinc/62/88/81/536628881.db2.gz PPKKBZDGKVDGLG-LBPRGKRZSA-N 2 0 230.352 0.363 20 0 BCADRP C[C@@H]([NH2+][C@@H](C)CC(N)=O)C1CC[NH+](C)CC1 ZINC000160676998 566324892 /nfs/dbraw/zinc/32/48/92/566324892.db2.gz BWJWMSPBPWGMFW-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NCC[NH2+]C ZINC000418318940 566420567 /nfs/dbraw/zinc/42/05/67/566420567.db2.gz QDFKIZLBLOKXQM-UHFFFAOYSA-N 2 0 216.329 0.023 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NC(C)(C)C[NH3+] ZINC000892850952 582996414 /nfs/dbraw/zinc/99/64/14/582996414.db2.gz PRSZPUUMDNLZRL-UHFFFAOYSA-N 2 0 216.329 0.150 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N1CCC([NH3+])CC1 ZINC000892851672 582996833 /nfs/dbraw/zinc/99/68/33/582996833.db2.gz XBJYBEWJELQFDL-UHFFFAOYSA-N 2 0 228.340 0.247 20 0 BCADRP C[C@H]1CN(C(=O)NCCC(C)(C)[NH3+])[C@@H](C)C[NH2+]1 ZINC000892852071 582996904 /nfs/dbraw/zinc/99/69/04/582996904.db2.gz ZXZOPGJKGWMGOF-UWVGGRQHSA-N 2 0 242.367 0.506 20 0 BCADRP COC(=O)N(C)CC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000854228316 588780856 /nfs/dbraw/zinc/78/08/56/588780856.db2.gz VANJCNZEEVNBBV-DTWKUNHWSA-N 2 0 215.297 0.154 20 0 BCADRP CCCNC(=[NH2+])NC[C@@H](C)[NH+]1CCCC1 ZINC000112800780 588817238 /nfs/dbraw/zinc/81/72/38/588817238.db2.gz BNXLLKQYSSZWQB-SNVBAGLBSA-N 2 0 212.341 0.995 20 0 BCADRP C[NH+](C)CCN1CCC[C@]12CCC[NH2+]C2 ZINC000757129207 582504580 /nfs/dbraw/zinc/50/45/80/582504580.db2.gz KXSHKPDKNRCDPS-LBPRGKRZSA-N 2 0 211.353 0.766 20 0 BCADRP CC[NH2+]CCCNC(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000891966428 582749059 /nfs/dbraw/zinc/74/90/59/582749059.db2.gz NQBFBYBWLAKFBY-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000891970333 582749657 /nfs/dbraw/zinc/74/96/57/582749657.db2.gz FBICCBGGUYAWTO-OUAUKWLOSA-N 2 0 240.351 0.165 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000891996780 582756868 /nfs/dbraw/zinc/75/68/68/582756868.db2.gz GAOZFRVTCOQDBL-XYPYZODXSA-N 2 0 242.367 0.413 20 0 BCADRP CC[NH2+]CCNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000891996944 582757421 /nfs/dbraw/zinc/75/74/21/582757421.db2.gz MSBUCIZDFAQYGS-UHFFFAOYSA-N 2 0 242.367 0.332 20 0 BCADRP CCN(C(=O)N[C@H](C[NH3+])C1CC1)[C@@H]1CC[NH2+]C1 ZINC000892029355 582765856 /nfs/dbraw/zinc/76/58/56/582765856.db2.gz VBGTTZCFGKKWOY-GHMZBOCLSA-N 2 0 240.351 0.117 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000892037146 582769580 /nfs/dbraw/zinc/76/95/80/582769580.db2.gz VBOXODUAOCYJJT-VHSXEESVSA-N 2 0 242.367 0.635 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892037787 582769919 /nfs/dbraw/zinc/76/99/19/582769919.db2.gz LZMHYKDEKQTTPH-VWYCJHECSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892044981 582772216 /nfs/dbraw/zinc/77/22/16/582772216.db2.gz QSFBMNLSGUUGPJ-FOGDFJRCSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@H](C[NH3+])NC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000892061641 582779964 /nfs/dbraw/zinc/77/99/64/582779964.db2.gz IYLVNLFNQZZSDA-NXEZZACHSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCC(C)(C)[NH3+] ZINC000892079939 582786523 /nfs/dbraw/zinc/78/65/23/582786523.db2.gz PBQAHYOCWPQDNK-VHSXEESVSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892091239 582788902 /nfs/dbraw/zinc/78/89/02/582788902.db2.gz DHOGGEMRKGTRCC-UKKRHICBSA-N 2 0 240.351 0.021 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000892090662 582788930 /nfs/dbraw/zinc/78/89/30/582788930.db2.gz XNKQKYZPLVRTCC-XWLWVQCSSA-N 2 0 240.351 0.293 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892091229 582789003 /nfs/dbraw/zinc/78/90/03/582789003.db2.gz DHOGGEMRKGTRCC-GWOFURMSSA-N 2 0 240.351 0.021 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000892089659 582789014 /nfs/dbraw/zinc/78/90/14/582789014.db2.gz VQZNRKXFHRDXTO-GMTAPVOTSA-N 2 0 240.351 0.389 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000892089546 582789042 /nfs/dbraw/zinc/78/90/42/582789042.db2.gz RQNGIXLRZABCHU-ZNSHCXBVSA-N 2 0 238.335 0.012 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000892090665 582789067 /nfs/dbraw/zinc/78/90/67/582789067.db2.gz XNKQKYZPLVRTCC-ZNSHCXBVSA-N 2 0 240.351 0.293 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000892098121 582790634 /nfs/dbraw/zinc/79/06/34/582790634.db2.gz XRRPLEDLQJCDLE-MMWGEVLESA-N 2 0 240.351 0.163 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892099153 582791011 /nfs/dbraw/zinc/79/10/11/582791011.db2.gz DINGQDULQOOKGI-MXWKQRLJSA-N 2 0 240.351 0.130 20 0 BCADRP [NH3+]C/C=C\CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000892124008 582795795 /nfs/dbraw/zinc/79/57/95/582795795.db2.gz NKPBHVHBHMVCCP-BSANDHCLSA-N 2 0 226.324 0.070 20 0 BCADRP [NH3+]C/C=C/CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892122812 582795817 /nfs/dbraw/zinc/79/58/17/582795817.db2.gz TXELSKNGXLWVFE-YOUZAFMCSA-N 2 0 240.351 0.318 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000892146185 582800310 /nfs/dbraw/zinc/80/03/10/582800310.db2.gz NQBCLHTUZHGLKH-WDEREUQCSA-N 2 0 242.367 0.637 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N(C)CCCCCC[NH3+] ZINC000892144061 582800488 /nfs/dbraw/zinc/80/04/88/582800488.db2.gz HJOUVEZWNHPBDD-MNOVXSKESA-N 2 0 244.383 0.883 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000892175630 582805176 /nfs/dbraw/zinc/80/51/76/582805176.db2.gz MMPGRMRBUCZDAM-UWVGGRQHSA-N 2 0 242.367 0.540 20 0 BCADRP CCN(CC)C(=[NH2+])NCCNc1cc[nH+]cc1 ZINC000848995266 582820753 /nfs/dbraw/zinc/82/07/53/582820753.db2.gz OBLJAFUKSSKURS-UHFFFAOYSA-N 2 0 235.335 0.782 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)C[NH2+]1 ZINC000892289091 582828895 /nfs/dbraw/zinc/82/88/95/582828895.db2.gz BAGRIEJUUIIBCC-XWLWVQCSSA-N 2 0 240.351 0.163 20 0 BCADRP CSC1(CNC(=[NH2+])N(C)C)CC[NH+](C)CC1 ZINC000849029428 582832926 /nfs/dbraw/zinc/83/29/26/582832926.db2.gz MWDSSRIAOVPEIE-UHFFFAOYSA-N 2 0 244.408 0.900 20 0 BCADRP COCCOC[C@H](C)[NH2+]CCC[NH+](C)C ZINC000892429845 582885656 /nfs/dbraw/zinc/88/56/56/582885656.db2.gz RWTKRSKYFYNWCA-NSHDSACASA-N 2 0 218.341 0.579 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892436006 582887235 /nfs/dbraw/zinc/88/72/35/582887235.db2.gz JSUJJZKQVVCHOX-DCAQKATOSA-N 2 0 242.367 0.493 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)N1CC[C@H]([NH3+])C1 ZINC000892455658 582891923 /nfs/dbraw/zinc/89/19/23/582891923.db2.gz KAUAJLIKGACKFU-BMQDGWLCSA-N 2 0 238.335 0.095 20 0 BCADRP CON(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000850479843 582919933 /nfs/dbraw/zinc/91/99/33/582919933.db2.gz DGDGCNFOKSFBAU-WDEREUQCSA-N 2 0 215.341 0.552 20 0 BCADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)COCCOC)C1 ZINC000892612921 582929525 /nfs/dbraw/zinc/92/95/25/582929525.db2.gz GJWCHJKJCYGLPW-OLZOCXBDSA-N 2 0 244.379 0.969 20 0 BCADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)COC(C)=O)C1 ZINC000892614508 582930175 /nfs/dbraw/zinc/93/01/75/582930175.db2.gz QWBAFPOKXFTCOO-ZYHUDNBSSA-N 2 0 228.336 0.869 20 0 BCADRP CC(=O)OC[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000892762525 582977800 /nfs/dbraw/zinc/97/78/00/582977800.db2.gz BCXHWMWCXODRHK-NXEZZACHSA-N 2 0 216.325 0.868 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCC(C)(C)[NH3+] ZINC000892846148 582995482 /nfs/dbraw/zinc/99/54/82/582995482.db2.gz JVDUHQQQXRGOLU-BDAKNGLRSA-N 2 0 228.340 0.245 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N1CCC(C[NH3+])CC1 ZINC000892849867 582996447 /nfs/dbraw/zinc/99/64/47/582996447.db2.gz HATJIHVWESUXFF-UHFFFAOYSA-N 2 0 242.367 0.494 20 0 BCADRP O=C([C@@H]1[NH2+]CC12CCCC2)N1CCC[NH2+]CC1 ZINC000852826756 583018244 /nfs/dbraw/zinc/01/82/44/583018244.db2.gz XOIAEOLMSXAZHX-NSHDSACASA-N 2 0 237.347 0.341 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000852864270 583021438 /nfs/dbraw/zinc/02/14/38/583021438.db2.gz QROOERNIMHCFPU-ZYHUDNBSSA-N 2 0 243.326 0.289 20 0 BCADRP CNC(=O)CCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000396456036 583082160 /nfs/dbraw/zinc/08/21/60/583082160.db2.gz KAMKYORGJCDYLP-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CCn1ncc(CN2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000857084702 588886515 /nfs/dbraw/zinc/88/65/15/588886515.db2.gz XZRYLVLNERBNAJ-VHSXEESVSA-N 2 0 223.324 0.467 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](n3cncn3)C2)CC1 ZINC000893694481 583202324 /nfs/dbraw/zinc/20/23/24/583202324.db2.gz VSISALBFKZOPCZ-CYBMUJFWSA-N 2 0 249.362 0.867 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2COCCO2)CC1(C)C ZINC000858100890 583214869 /nfs/dbraw/zinc/21/48/69/583214869.db2.gz QZMVEKFJSHHAJT-RYUDHWBXSA-N 2 0 242.363 0.864 20 0 BCADRP CCn1ncc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000857084418 588886296 /nfs/dbraw/zinc/88/62/96/588886296.db2.gz SBLMHZKKAGSMIT-WCFLWFBJSA-N 2 0 249.362 0.857 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000857103126 588887653 /nfs/dbraw/zinc/88/76/53/588887653.db2.gz CAJHEAKHCSKBNF-GUBZILKMSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000857104297 588887926 /nfs/dbraw/zinc/88/79/26/588887926.db2.gz RVSNOPPPZPINTH-UWVGGRQHSA-N 2 0 230.356 0.540 20 0 BCADRP CC[NH2+]CCCNC(=O)NCC[C@H](C)[NH3+] ZINC000857104364 588887927 /nfs/dbraw/zinc/88/79/27/588887927.db2.gz RMXLPEQSWAAXNI-VIFPVBQESA-N 2 0 216.329 0.023 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000857106265 588888067 /nfs/dbraw/zinc/88/80/67/588888067.db2.gz GYZMQGJLZGGYLD-AEJSXWLSSA-N 2 0 228.340 0.150 20 0 BCADRP CC[C@@H]1CN(C(=O)NCC[C@H](C)[NH3+])CC[C@@H]1[NH3+] ZINC000857107229 588888079 /nfs/dbraw/zinc/88/80/79/588888079.db2.gz PEDDMUMYIBCSRV-AXFHLTTASA-N 2 0 242.367 0.493 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NC(C)(C)CC[NH3+] ZINC000857107038 588888100 /nfs/dbraw/zinc/88/81/00/588888100.db2.gz IZTXOFLWHXLPKH-QMMMGPOBSA-N 2 0 216.329 0.150 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NCC1CC[NH2+]CC1 ZINC000857104424 588888332 /nfs/dbraw/zinc/88/83/32/588888332.db2.gz ULRWVQLZDPYDMW-VIFPVBQESA-N 2 0 228.340 0.023 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000857107171 588888359 /nfs/dbraw/zinc/88/83/59/588888359.db2.gz NKDCOOZHWNCTDT-UTLUCORTSA-N 2 0 228.340 0.102 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)NCC[C@H](C)[NH3+])C1 ZINC000857107413 588888414 /nfs/dbraw/zinc/88/84/14/588888414.db2.gz USMRTYKCERJBJW-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP CCCN(C(=O)NCC[C@H](C)[NH3+])[C@H]1CC[NH2+]C1 ZINC000857107566 588888476 /nfs/dbraw/zinc/88/84/76/588888476.db2.gz ZFZPLAUTHJHNQG-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000877242992 583304771 /nfs/dbraw/zinc/30/47/71/583304771.db2.gz KHTREEAJRYFYES-CHWFTXMASA-N 2 0 225.336 0.228 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]([NH3+])C3)CC[C@@H]21 ZINC000877250381 583305003 /nfs/dbraw/zinc/30/50/03/583305003.db2.gz PNHQDZOKQAUEJF-KKOKHZNYSA-N 2 0 237.347 0.276 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)C(C)(C)C[NH3+] ZINC000571204428 583311897 /nfs/dbraw/zinc/31/18/97/583311897.db2.gz VZKVHELETZRELX-UHFFFAOYSA-N 2 0 215.341 0.476 20 0 BCADRP CCCC[N@@H+](CC(N)=O)CC1CC[NH+](C)CC1 ZINC000788011155 583349830 /nfs/dbraw/zinc/34/98/30/583349830.db2.gz DQPSRGIRAWPBEO-UHFFFAOYSA-N 2 0 241.379 0.916 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000841857259 583438700 /nfs/dbraw/zinc/43/87/00/583438700.db2.gz SONJYSRJRNCDAG-JFGNBEQYSA-N 2 0 243.326 0.131 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C1([NH+](C)C)CC1 ZINC000668011427 583445639 /nfs/dbraw/zinc/44/56/39/583445639.db2.gz APYBLEXNEXEVNA-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](CC(N)=O)C2)CC1 ZINC000894519229 583477020 /nfs/dbraw/zinc/47/70/20/583477020.db2.gz GHJKQKKKXCKXOI-LBPRGKRZSA-N 2 0 239.363 0.526 20 0 BCADRP CCC[N@@H+](CC(N)=O)CC1CC[NH+](C)CC1 ZINC000894592846 583491786 /nfs/dbraw/zinc/49/17/86/583491786.db2.gz NWTJRCGNDPDKNH-UHFFFAOYSA-N 2 0 227.352 0.526 20 0 BCADRP C[NH+]1CCC(C[NH2+]C[C@]2(C)CCC(=O)N2)CC1 ZINC000894804112 583522208 /nfs/dbraw/zinc/52/22/08/583522208.db2.gz HRNNQNJBIIGTQD-ZDUSSCGKSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@@H]2COCO2)CC1 ZINC000894878805 583543206 /nfs/dbraw/zinc/54/32/06/583543206.db2.gz IYJVANMKGCHECZ-LLVKDONJSA-N 2 0 214.309 0.433 20 0 BCADRP CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cnc[nH]1 ZINC000894889603 583548152 /nfs/dbraw/zinc/54/81/52/583548152.db2.gz VSMSVDJSKBCVAB-KOLCDFICSA-N 2 0 225.292 0.551 20 0 BCADRP CCn1ncnc1C[NH2+]CCCC[NH+](C)C ZINC000083977987 583581826 /nfs/dbraw/zinc/58/18/26/583581826.db2.gz QDMCCSYZAJQNMY-UHFFFAOYSA-N 2 0 225.340 0.729 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417799843 583612694 /nfs/dbraw/zinc/61/26/94/583612694.db2.gz RXIUWCZCXBQLAG-GHMZBOCLSA-N 2 0 241.379 0.736 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895291624 583637012 /nfs/dbraw/zinc/63/70/12/583637012.db2.gz HDMOQVMVOKXEHP-MNOVXSKESA-N 2 0 225.340 0.596 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C ZINC000895681341 583708938 /nfs/dbraw/zinc/70/89/38/583708938.db2.gz QXAWJLWWGDJWLV-GHMZBOCLSA-N 2 0 241.379 0.926 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000895927417 583748556 /nfs/dbraw/zinc/74/85/56/583748556.db2.gz KKSXNMMZHSVFLI-BETUJISGSA-N 2 0 224.348 0.906 20 0 BCADRP [NH3+]CCCN(CCOCC[NH3+])CC(F)(F)F ZINC000883444090 583816091 /nfs/dbraw/zinc/81/60/91/583816091.db2.gz YKGDOPVPHGBQHF-UHFFFAOYSA-N 2 0 243.273 0.175 20 0 BCADRP C[NH+]1CCC(C[NH2+]CC[C@@H]2CNC(=O)C2)CC1 ZINC000896896186 583849007 /nfs/dbraw/zinc/84/90/07/583849007.db2.gz DHMSQESDUBLNFI-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP CC[N@H+](CCNC(=[NH2+])N[C@H]1C[C@@H]1C)C1CC1 ZINC000864458279 584006809 /nfs/dbraw/zinc/00/68/09/584006809.db2.gz YALRSQTTWCTTEL-ONGXEEELSA-N 2 0 224.352 0.993 20 0 BCADRP C[C@@H](C[NH+](C)C)Nc1cc[nH+]c(CO)c1 ZINC000858545380 588964297 /nfs/dbraw/zinc/96/42/97/588964297.db2.gz DLPLWAKLVRZNKP-VIFPVBQESA-N 2 0 209.293 0.936 20 0 BCADRP OC1(c2ccc(C3=CC[NH2+]CC3)cc2)C[NH2+]C1 ZINC000899324053 584196842 /nfs/dbraw/zinc/19/68/42/584196842.db2.gz UMXPKSKOWDVEEM-UHFFFAOYSA-N 2 0 230.311 0.854 20 0 BCADRP c1nn2c(c1C1=CCC[NH2+]C1)C[NH2+]CC2 ZINC000899325605 584197951 /nfs/dbraw/zinc/19/79/51/584197951.db2.gz WYLDOZVLMXCCFO-UHFFFAOYSA-N 2 0 204.277 0.363 20 0 BCADRP CON(C)C(=O)[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000858580034 588968837 /nfs/dbraw/zinc/96/88/37/588968837.db2.gz VVVCLZBORGFMBM-GARJFASQSA-N 2 0 243.351 0.467 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000899919610 584252606 /nfs/dbraw/zinc/25/26/06/584252606.db2.gz CGDFWKGFEPVINY-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+][C@H](C)Cc1noc(C23CCC(CC2)[NH2+]3)n1 ZINC000900009382 584264680 /nfs/dbraw/zinc/26/46/80/584264680.db2.gz XXBMRSNJVPVSOC-YDNLMGDJSA-N 2 0 236.319 0.961 20 0 BCADRP C[NH2+][C@@H](C)Cc1noc(C23CCC(CC2)[NH2+]3)n1 ZINC000900009381 584264835 /nfs/dbraw/zinc/26/48/35/584264835.db2.gz XXBMRSNJVPVSOC-QTZUAFFRSA-N 2 0 236.319 0.961 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000900666531 584337527 /nfs/dbraw/zinc/33/75/27/584337527.db2.gz NMDAGWNYOKTJLR-DDHJBXDOSA-N 2 0 239.363 0.535 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC000900700892 584342543 /nfs/dbraw/zinc/34/25/43/584342543.db2.gz SJYVHSZMPJZHFJ-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP OCc1cc(NCC[N@@H+]2CC[C@@H](O)C2)cc[nH+]1 ZINC000858812049 588977273 /nfs/dbraw/zinc/97/72/73/588977273.db2.gz LSGHRHSYQJJMIW-GFCCVEGCSA-N 2 0 237.303 0.052 20 0 BCADRP CC[N@@H+]1CCN(C(=O)Cc2cnc[nH]2)C[C@H]1C ZINC000901198014 584397534 /nfs/dbraw/zinc/39/75/34/584397534.db2.gz FWZVBQGUCFGULQ-SNVBAGLBSA-N 2 0 236.319 0.505 20 0 BCADRP CC[C@@H](C(=O)N1CCN(C)[C@@H](C)[C@H]1C)[NH+](C)C ZINC000901306352 584419825 /nfs/dbraw/zinc/41/98/25/584419825.db2.gz JZCGHJOQKREARC-TUAOUCFPSA-N 2 0 241.379 0.878 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@]2(O)CCOC2)C1 ZINC000902360589 584571522 /nfs/dbraw/zinc/57/15/22/584571522.db2.gz HIJGMZLUNRFROA-YPMHNXCESA-N 2 0 242.363 0.506 20 0 BCADRP C[C@@H](O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902363913 584573554 /nfs/dbraw/zinc/57/35/54/584573554.db2.gz PGXAYNXRSRCPBG-ZJUUUORDSA-N 2 0 200.326 0.735 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CNC(=O)C2)C1 ZINC000902390896 584582075 /nfs/dbraw/zinc/58/20/75/584582075.db2.gz QSRKYBGFORYKFP-QWRGUYRKSA-N 2 0 239.363 0.490 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000902390750 584582406 /nfs/dbraw/zinc/58/24/06/584582406.db2.gz AIFRGVYSYMDBCJ-UWVGGRQHSA-N 2 0 225.336 0.243 20 0 BCADRP NOCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000902415414 584589891 /nfs/dbraw/zinc/58/98/91/584589891.db2.gz NOTVPLWVLDQECF-IJLUTSLNSA-N 2 0 227.352 0.777 20 0 BCADRP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1C[NH2+]CC1(C)C ZINC000902444831 584598833 /nfs/dbraw/zinc/59/88/33/584598833.db2.gz OTRYQAIEPKNACI-IJLUTSLNSA-N 2 0 241.379 0.341 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000902445233 584598902 /nfs/dbraw/zinc/59/89/02/584598902.db2.gz PIKNECUBWMUQTK-VQXHTEKXSA-N 3 0 211.353 0.844 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1CC[NH2+]C1(C)C ZINC000902444411 584599163 /nfs/dbraw/zinc/59/91/63/584599163.db2.gz NJZXWLVFQOUSKO-UWVGGRQHSA-N 2 0 211.353 0.715 20 0 BCADRP [NH3+]C1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000902413508 584599383 /nfs/dbraw/zinc/59/93/83/584599383.db2.gz NFCCIPYWJKQMJF-MNOVXSKESA-N 2 0 209.337 0.694 20 0 BCADRP C(N[C@@H]1C[NH2+]CCOC1)[C@H]1CCCCC[NH2+]1 ZINC000902477796 584603230 /nfs/dbraw/zinc/60/32/30/584603230.db2.gz SCFYEUMRKKNULY-VXGBXAGGSA-N 2 0 227.352 0.097 20 0 BCADRP C[C@H](N[C@H]1C[NH2+]CC1(C)C)[C@H]1CCC[NH2+]1 ZINC000902447522 584604775 /nfs/dbraw/zinc/60/47/75/584604775.db2.gz YWOCETAANTVBSA-AXFHLTTASA-N 2 0 211.353 0.715 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902449941 584606428 /nfs/dbraw/zinc/60/64/28/584606428.db2.gz AMQCIIXRNTWFRX-WTMYBKBASA-N 2 0 210.321 0.878 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902450437 584606684 /nfs/dbraw/zinc/60/66/84/584606684.db2.gz DHFVAWNPHKSWEG-YNRVRDPVSA-N 2 0 222.332 0.879 20 0 BCADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)[NH2+]2 ZINC000902460030 584610633 /nfs/dbraw/zinc/61/06/33/584610633.db2.gz FNIHHBOLWDCDBK-QUTCXQLSSA-N 2 0 235.375 0.998 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902459097 584611108 /nfs/dbraw/zinc/61/11/08/584611108.db2.gz BCSLMKRCKRICPO-YBXAARCKSA-N 2 0 209.337 0.609 20 0 BCADRP C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000902461757 584611658 /nfs/dbraw/zinc/61/16/58/584611658.db2.gz REOKODJWVDYGHC-KKJSVHSVSA-N 2 0 209.337 0.609 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902460659 584611730 /nfs/dbraw/zinc/61/17/30/584611730.db2.gz IEBJETQWYGDTJQ-IYKVGLELSA-N 2 0 209.337 0.467 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902460598 584611783 /nfs/dbraw/zinc/61/17/83/584611783.db2.gz HLCMVSWISFISSM-NZEXEKPDSA-N 2 0 223.364 0.986 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cn(C)cn1 ZINC000902463061 584612169 /nfs/dbraw/zinc/61/21/69/584612169.db2.gz ZEPHNVLWTQNMII-SNVBAGLBSA-N 2 0 226.324 0.264 20 0 BCADRP C1C[C@@H]2[NH2+][C@H]1C[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000902462389 584612512 /nfs/dbraw/zinc/61/25/12/584612512.db2.gz VNLUXSMFYWQZSE-KJKVDNPUSA-N 3 0 235.375 0.857 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)[NH2+]2 ZINC000902464926 584612858 /nfs/dbraw/zinc/61/28/58/584612858.db2.gz FNIHHBOLWDCDBK-MCKGTNQJSA-N 2 0 235.375 0.998 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466792 584614094 /nfs/dbraw/zinc/61/40/94/584614094.db2.gz MQXPLNJSYQAOPR-GIFOWTIRSA-N 3 0 235.375 0.985 20 0 BCADRP C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1CCC[NH2+]1 ZINC000902467898 584614604 /nfs/dbraw/zinc/61/46/04/584614604.db2.gz REOKODJWVDYGHC-MTVMDMGHSA-N 2 0 209.337 0.609 20 0 BCADRP [NH3+][C@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C12CCC2 ZINC000902469253 584615726 /nfs/dbraw/zinc/61/57/26/584615726.db2.gz ZYPQELGXKVIKOB-LVEVGFFFSA-N 2 0 221.348 0.739 20 0 BCADRP C[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469395 584615737 /nfs/dbraw/zinc/61/57/37/584615737.db2.gz PXPGWJXIJJXXQR-KKJSVHSVSA-N 2 0 210.321 0.894 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470821 584616889 /nfs/dbraw/zinc/61/68/89/584616889.db2.gz HGLIZGVUWGEIHH-BJKGOZRQSA-N 2 0 235.375 0.952 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1csc(N)n1 ZINC000902498372 584619490 /nfs/dbraw/zinc/61/94/90/584619490.db2.gz DYLUETDOJBNDMB-MRVPVSSYSA-N 2 0 244.364 0.569 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H](O)C1CC1 ZINC000902505890 584621592 /nfs/dbraw/zinc/62/15/92/584621592.db2.gz WHPNALGOVNWXTO-NWDGAFQWSA-N 2 0 230.352 0.491 20 0 BCADRP O=CN1CCC([NH2+]C[C@H]2CCCCC[NH2+]2)CC1 ZINC000902482976 584624170 /nfs/dbraw/zinc/62/41/70/584624170.db2.gz OHWDTSPZNOTCJB-CYBMUJFWSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H](C[C@H]1COCCN1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486265 584625249 /nfs/dbraw/zinc/62/52/49/584625249.db2.gz CMWWJUDSERDURB-KKOKHZNYSA-N 2 0 227.352 0.080 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000902485994 584625432 /nfs/dbraw/zinc/62/54/32/584625432.db2.gz DSKWPCYBTJRRGC-CYDGBPFRSA-N 3 0 223.364 0.940 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000902486340 584625460 /nfs/dbraw/zinc/62/54/60/584625460.db2.gz FBHGAGSIFVHUSJ-SRVKXCTJSA-N 3 0 223.364 0.988 20 0 BCADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccn(C)n1 ZINC000902486972 584626170 /nfs/dbraw/zinc/62/61/70/584626170.db2.gz IEOPIVHMXFCXCG-OPRDCNLKSA-N 2 0 208.309 0.808 20 0 BCADRP C[C@@](CN)([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000903426077 584761001 /nfs/dbraw/zinc/76/10/01/584761001.db2.gz FKYIJWXKILMTGJ-USWWRNFRSA-N 2 0 211.353 0.831 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903426052 584761151 /nfs/dbraw/zinc/76/11/51/584761151.db2.gz CYNWPLIXPUUTAH-WOPDTQHZSA-N 2 0 213.369 0.805 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000903439557 584762647 /nfs/dbraw/zinc/76/26/47/584762647.db2.gz KJTTVSTVJPWHAY-WOPDTQHZSA-N 2 0 239.363 0.429 20 0 BCADRP NC(=O)C1([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)CCCCC1 ZINC000903441381 584764106 /nfs/dbraw/zinc/76/41/06/584764106.db2.gz PTILDVYIGMPYIQ-WDEREUQCSA-N 2 0 239.363 0.892 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903423034 584764380 /nfs/dbraw/zinc/76/43/80/584764380.db2.gz NPSFXXQKNQSDSD-WOPDTQHZSA-N 2 0 211.353 0.383 20 0 BCADRP C[NH2+]CC1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903422865 584764492 /nfs/dbraw/zinc/76/44/92/584764492.db2.gz KLWBAEPYTYXMCQ-YPMHNXCESA-N 3 0 225.380 0.773 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903422319 584764503 /nfs/dbraw/zinc/76/45/03/584764503.db2.gz YBWHOHPWTBINLC-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]CC1CC[NH+]([C@@H]2CCN(OC)C2=O)CC1 ZINC000903423043 584764520 /nfs/dbraw/zinc/76/45/20/584764520.db2.gz OJAUZZXMQQYANM-LLVKDONJSA-N 2 0 241.335 0.080 20 0 BCADRP C[C@@H]1CCN(C[C@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000903458719 584764971 /nfs/dbraw/zinc/76/49/71/584764971.db2.gz ICGLAXKZSHXOTN-IJLUTSLNSA-N 2 0 211.353 0.655 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000903424785 584765029 /nfs/dbraw/zinc/76/50/29/584765029.db2.gz GWXOMXPUKRLIOF-FVCCEPFGSA-N 2 0 225.380 0.901 20 0 BCADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCO1 ZINC000903458725 584765162 /nfs/dbraw/zinc/76/51/62/584765162.db2.gz IHCMYLYVIBLGNH-RHYQMDGZSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000903425032 584765523 /nfs/dbraw/zinc/76/55/23/584765523.db2.gz PCBAKNLYLPLKCY-RHYQMDGZSA-N 2 0 211.353 0.511 20 0 BCADRP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCCO1 ZINC000903458976 584765738 /nfs/dbraw/zinc/76/57/38/584765738.db2.gz OTXISZDREIDENE-WOPDTQHZSA-N 3 0 227.352 0.163 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000903459336 584765939 /nfs/dbraw/zinc/76/59/39/584765939.db2.gz GYLJAHHFCRUNCZ-FRRDWIJNSA-N 2 0 249.362 0.771 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CCC2(C1)CC[NH2+]CC2 ZINC000903447558 584770467 /nfs/dbraw/zinc/77/04/67/584770467.db2.gz XSTLXZFVSUQKNA-GFCCVEGCSA-N 2 0 223.364 0.814 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000903452452 584771877 /nfs/dbraw/zinc/77/18/77/584771877.db2.gz MOEQNSYQQYMVLK-TUAOUCFPSA-N 2 0 209.337 0.422 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@](C)(C[NH3+])C1 ZINC000903452474 584772043 /nfs/dbraw/zinc/77/20/43/584772043.db2.gz NCYAZAZXLXCCKW-GRYCIOLGSA-N 2 0 211.353 0.513 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)CN1 ZINC000903453819 584772664 /nfs/dbraw/zinc/77/26/64/584772664.db2.gz MTJAMZPHRVXCGR-KXNHARMFSA-N 2 0 211.353 0.796 20 0 BCADRP [NH3+][C@@H]1CC[C@H](CN2CC[NH2+]C[C@@H]2C(F)F)C1 ZINC000903452857 584772801 /nfs/dbraw/zinc/77/28/01/584772801.db2.gz SXCPPNCQMGJUNA-IVZWLZJFSA-N 2 0 233.306 0.653 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000903454577 584773369 /nfs/dbraw/zinc/77/33/69/584773369.db2.gz CRVKRANRVGFGSQ-BNDIWNMDSA-N 2 0 225.380 0.818 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC[C@H]1CCC[NH2+]1 ZINC000903454969 584773371 /nfs/dbraw/zinc/77/33/71/584773371.db2.gz PFDWXNROXKOWAA-KKOKHZNYSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CCc1cnccn1 ZINC000903456275 584774247 /nfs/dbraw/zinc/77/42/47/584774247.db2.gz FFCWNFSMEKRHNW-NEPJUHHUSA-N 2 0 234.347 0.806 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](n3cncn3)C2)C1 ZINC000903457434 584774513 /nfs/dbraw/zinc/77/45/13/584774513.db2.gz SLUTXOQSVRECFT-QJPTWQEYSA-N 2 0 235.335 0.652 20 0 BCADRP C[C@@H]1CN(C[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C[NH3+] ZINC000903477267 584777157 /nfs/dbraw/zinc/77/71/57/584777157.db2.gz WVEMAANFVZUMDP-KKOKHZNYSA-N 2 0 211.353 0.369 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000903476480 584777580 /nfs/dbraw/zinc/77/75/80/584777580.db2.gz YLWFAIFXGYAVCS-JHJVBQTASA-N 2 0 223.364 0.812 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C[C@H]3CCC[NH2+]3)CC[C@H]21 ZINC000903476463 584777598 /nfs/dbraw/zinc/77/75/98/584777598.db2.gz XREFVPAVLOKUOX-JHJVBQTASA-N 2 0 223.364 0.764 20 0 BCADRP CCN(C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000903481563 584777890 /nfs/dbraw/zinc/77/78/90/584777890.db2.gz GHWRDSUXZPOQBD-GRYCIOLGSA-N 2 0 211.353 0.526 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000903482066 584778591 /nfs/dbraw/zinc/77/85/91/584778591.db2.gz WKBCULMUQFBKGN-SDDRHHMPSA-N 2 0 241.354 0.951 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000903482067 584778691 /nfs/dbraw/zinc/77/86/91/584778691.db2.gz WKBCULMUQFBKGN-SRVKXCTJSA-N 2 0 241.354 0.951 20 0 BCADRP CC1(C)[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1[NH3+] ZINC000903482923 584778803 /nfs/dbraw/zinc/77/88/03/584778803.db2.gz YQQHHXBSIUILIU-VPOLOUISSA-N 3 0 211.353 0.829 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903494954 584781112 /nfs/dbraw/zinc/78/11/12/584781112.db2.gz SHMITKQRIDHPNB-IJLUTSLNSA-N 3 0 211.353 0.513 20 0 BCADRP [NH3+][C@@H]1CN(C[C@H]2CCC[NH2+]2)C[C@H]1C(F)(F)F ZINC000903512711 584781337 /nfs/dbraw/zinc/78/13/37/584781337.db2.gz DXGGAZHSQXECQM-IWSPIJDZSA-N 2 0 237.269 0.560 20 0 BCADRP C[NH2+]C[C@@H]1CCCCN1CCOCC[NH3+] ZINC000903528400 584781857 /nfs/dbraw/zinc/78/18/57/584781857.db2.gz KHEIWOFXKMCBBJ-NSHDSACASA-N 2 0 215.341 0.036 20 0 BCADRP CC1(C)CN(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@H]1[NH3+] ZINC000903560028 584782392 /nfs/dbraw/zinc/78/23/92/584782392.db2.gz QYBYUHZDEHUZHR-LPEHRKFASA-N 2 0 215.316 0.356 20 0 BCADRP COC(=O)CC1(CN2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000903558039 584782720 /nfs/dbraw/zinc/78/27/20/584782720.db2.gz SQOBTPUDOOFGPX-JTQLQIEISA-N 2 0 240.347 0.999 20 0 BCADRP C[C@@H](CN1CCOCC1)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903558124 584782929 /nfs/dbraw/zinc/78/29/29/584782929.db2.gz VPHJNJHPSBBCFX-RYUDHWBXSA-N 2 0 241.379 0.376 20 0 BCADRP CN1CCC[C@H](N2C[C@H]([NH3+])C(C)(C)C2)C1=O ZINC000903557832 584783220 /nfs/dbraw/zinc/78/32/20/584783220.db2.gz RYNJQPIQIJIPBX-UWVGGRQHSA-N 2 0 225.336 0.276 20 0 BCADRP C[NH2+]CCN(CC1CC[NH2+]CC1)C(C)C ZINC000903570297 584784000 /nfs/dbraw/zinc/78/40/00/584784000.db2.gz ZEWLXLSSNZKWBN-UHFFFAOYSA-N 2 0 213.369 0.916 20 0 BCADRP C[N@H+](CCC[NH3+])C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717145 584792183 /nfs/dbraw/zinc/79/21/83/584792183.db2.gz HRIVNARVWDTZTP-GFCCVEGCSA-N 3 0 241.379 0.426 20 0 BCADRP C[C@](C[NH3+])([NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1)C1CC1 ZINC000903716995 584792320 /nfs/dbraw/zinc/79/23/20/584792320.db2.gz GFDQACXZGWYVAS-FTYKPCCVSA-N 2 0 240.347 0.507 20 0 BCADRP C[C@H](C[NH3+])N(C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717041 584792340 /nfs/dbraw/zinc/79/23/40/584792340.db2.gz XSFJRORIOWECCT-UTUOFQBUSA-N 2 0 227.352 0.034 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC[C@H](O)C[NH+]1CCCC1 ZINC000903718114 584792645 /nfs/dbraw/zinc/79/26/45/584792645.db2.gz ZVMOAAUFXVLCCA-STQMWFEESA-N 2 0 243.395 0.406 20 0 BCADRP C[C@H](O)CC[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903732291 584792921 /nfs/dbraw/zinc/79/29/21/584792921.db2.gz FARSQWKPVZIEAJ-RWMBFGLXSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@H](O)CC[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903732292 584793006 /nfs/dbraw/zinc/79/30/06/584793006.db2.gz FARSQWKPVZIEAJ-XQQFMLRXSA-N 2 0 242.363 0.458 20 0 BCADRP C[NH2+][C@H]1CCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903713507 584793377 /nfs/dbraw/zinc/79/33/77/584793377.db2.gz UEIJHEYHHDJBEM-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP [NH3+][C@@H]1CCCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903713235 584793407 /nfs/dbraw/zinc/79/34/07/584793407.db2.gz JDJRVSMBLBLIFC-JHJVBQTASA-N 2 0 239.363 0.178 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCC(C)([NH3+])CC1 ZINC000903745330 584794393 /nfs/dbraw/zinc/79/43/93/584794393.db2.gz CTUCUEBNGDHEHP-WDEREUQCSA-N 2 0 240.347 0.999 20 0 BCADRP CN(C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1C[NH2+]C1 ZINC000903749889 584794595 /nfs/dbraw/zinc/79/45/95/584794595.db2.gz RMNPCQLWVGNMRQ-LBPRGKRZSA-N 2 0 239.363 0.049 20 0 BCADRP C[NH2+]CCN(C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903751209 584795395 /nfs/dbraw/zinc/79/53/95/584795395.db2.gz FTHYSGJAVCYHFW-LBPRGKRZSA-N 2 0 241.379 0.296 20 0 BCADRP OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903753047 584796301 /nfs/dbraw/zinc/79/63/01/584796301.db2.gz ZABCUYBIUKSADP-RYUDHWBXSA-N 2 0 212.337 0.833 20 0 BCADRP [NH3+]CCN(CCO)CCOC1CCSCC1 ZINC000903742959 584796659 /nfs/dbraw/zinc/79/66/59/584796659.db2.gz DIBBURDKNCPLQP-UHFFFAOYSA-N 2 0 248.392 0.152 20 0 BCADRP [NH3+]C1(C[NH2+]C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCC1 ZINC000903743352 584796679 /nfs/dbraw/zinc/79/66/79/584796679.db2.gz IXKCMRCTZKPMCE-VXGBXAGGSA-N 3 0 239.363 0.226 20 0 BCADRP C[C@H]1C[NH2+]CCN1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903744881 584796809 /nfs/dbraw/zinc/79/68/09/584796809.db2.gz YLZXNIAFYFZMCF-XQQFMLRXSA-N 2 0 239.363 0.049 20 0 BCADRP CN(C[C@H]1C[C@]2(CC[NH2+]C2)CO1)CC(C)(C)[NH3+] ZINC000903766882 584796994 /nfs/dbraw/zinc/79/69/94/584796994.db2.gz CLTDXQSJLCSQDT-YPMHNXCESA-N 2 0 241.379 0.424 20 0 BCADRP C[NH2+]CCCN(C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903760375 584797053 /nfs/dbraw/zinc/79/70/53/584797053.db2.gz GNDFRFKVLKKMJF-STQMWFEESA-N 2 0 241.379 0.296 20 0 BCADRP C[N@H+](C[C@@H]1COCCO1)C[C@H]1CCCC[NH2+]C1 ZINC000903765455 584797255 /nfs/dbraw/zinc/79/72/55/584797255.db2.gz HKAFTLYXVMGMLX-QWHCGFSZSA-N 2 0 242.363 0.723 20 0 BCADRP C[NH2+]CCCN(C)C[C@H]1CCCC[NH2+]C1 ZINC000903760346 584797392 /nfs/dbraw/zinc/79/73/92/584797392.db2.gz FQEOZGDYDJHBMC-LBPRGKRZSA-N 2 0 213.369 0.917 20 0 BCADRP O[C@@H]1CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903763002 584797582 /nfs/dbraw/zinc/79/75/82/584797582.db2.gz GORKFAZZJOEQJS-AGIUHOORSA-N 2 0 240.347 0.212 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000903766929 584797587 /nfs/dbraw/zinc/79/75/87/584797587.db2.gz DEZJXJLAEXQWSZ-FIQHERPVSA-N 2 0 240.347 0.997 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)CCOCC[NH3+] ZINC000903769609 584797793 /nfs/dbraw/zinc/79/77/93/584797793.db2.gz KDKOHJMHBQRRRX-WDEREUQCSA-N 2 0 244.335 0.093 20 0 BCADRP CCN(CC[NH3+])C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903769367 584798130 /nfs/dbraw/zinc/79/81/30/584798130.db2.gz DWTMHHQVPLYVDS-RYUDHWBXSA-N 2 0 227.352 0.036 20 0 BCADRP C[C@H]([NH3+])CN(C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903774921 584799088 /nfs/dbraw/zinc/79/90/88/584799088.db2.gz CECRWCRRDDOCIC-NWDGAFQWSA-N 2 0 241.379 0.424 20 0 BCADRP OC[C@H]1CCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903785503 584800074 /nfs/dbraw/zinc/80/00/74/584800074.db2.gz ZOMZHRSFTHTGBK-AGIUHOORSA-N 2 0 240.347 0.212 20 0 BCADRP [NH3+]C[C@H]1CCCN1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903784279 584800087 /nfs/dbraw/zinc/80/00/87/584800087.db2.gz MZMXWSCWHKSEAN-AGIUHOORSA-N 2 0 239.363 0.178 20 0 BCADRP CC[N@H+](CCC(N)=O)C[C@@H]1CCCC[NH2+]C1 ZINC000903786356 584800251 /nfs/dbraw/zinc/80/02/51/584800251.db2.gz HOMXLSJYDZSWQC-LLVKDONJSA-N 2 0 227.352 0.573 20 0 BCADRP [NH3+]C[C@]12CC[C@H]1CCCN2C[C@@H]1CC[NH2+]C1 ZINC000903795606 584801165 /nfs/dbraw/zinc/80/11/65/584801165.db2.gz NSKUSAXQBCLQKX-JHJVBQTASA-N 2 0 223.364 0.799 20 0 BCADRP [NH3+]CCOCCN1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903799992 584801310 /nfs/dbraw/zinc/80/13/10/584801310.db2.gz FUBCXGPVODSZNC-NWDGAFQWSA-N 2 0 227.352 0.165 20 0 BCADRP [NH3+]C[C@]12CC[C@@H]1CCCN2C[C@H]1C[NH2+]CCO1 ZINC000903801473 584802080 /nfs/dbraw/zinc/80/20/80/584802080.db2.gz NPAFSTFMMDGMMB-YNEHKIRRSA-N 2 0 239.363 0.178 20 0 BCADRP CCOCC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903813359 584803190 /nfs/dbraw/zinc/80/31/90/584803190.db2.gz DFTDEAPEJDNEOY-UHFFFAOYSA-N 2 0 242.363 0.867 20 0 BCADRP CN(C[C@H]1CCC[NH2+]1)C1(C[NH3+])CCOCC1 ZINC000903809556 584803619 /nfs/dbraw/zinc/80/36/19/584803619.db2.gz DMWWVPWCWRCNAV-LLVKDONJSA-N 2 0 227.352 0.178 20 0 BCADRP COCC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903813988 584803633 /nfs/dbraw/zinc/80/36/33/584803633.db2.gz DSOHOCCUVUTZQR-UHFFFAOYSA-N 2 0 228.336 0.477 20 0 BCADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2CCO)CCC1 ZINC000903812110 584803641 /nfs/dbraw/zinc/80/36/41/584803641.db2.gz PZYPVKHGBZZBHX-LLVKDONJSA-N 2 0 212.337 0.962 20 0 BCADRP CC[N@H+](CCC[NH2+]C)CCC(=O)NC ZINC000903826965 584805087 /nfs/dbraw/zinc/80/50/87/584805087.db2.gz PMEJOWUNWAOGMK-UHFFFAOYSA-N 2 0 201.314 0.054 20 0 BCADRP CC[N@H+](CCC(=O)NC)C[C@H]1CCCC[NH2+]C1 ZINC000903826925 584805147 /nfs/dbraw/zinc/80/51/47/584805147.db2.gz ODMSIGRBBOTECZ-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCOCC[C@H]1C ZINC000903830929 584805296 /nfs/dbraw/zinc/80/52/96/584805296.db2.gz BNMZIZGWFURZPT-UTUOFQBUSA-N 2 0 212.337 0.953 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCCCCNC(=O)CC1 ZINC000903829959 584805430 /nfs/dbraw/zinc/80/54/30/584805430.db2.gz PBEAHAXAHUGOBG-UHFFFAOYSA-N 2 0 227.352 0.588 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@H+](C)[C@H]1CC[C@H]1OC ZINC000903830161 584805752 /nfs/dbraw/zinc/80/57/52/584805752.db2.gz VIBHFQORZRJQLA-AXFHLTTASA-N 2 0 216.325 0.066 20 0 BCADRP OCC[C@@H]1COCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903830191 584805839 /nfs/dbraw/zinc/80/58/39/584805839.db2.gz VWRAMKHXQJUUNR-NWDGAFQWSA-N 2 0 228.336 0.069 20 0 BCADRP COCC[C@@H]1CNCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903838493 584806856 /nfs/dbraw/zinc/80/68/56/584806856.db2.gz YMCWGFJTGFVEBW-CHWSQXEVSA-N 2 0 241.379 0.296 20 0 BCADRP O[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C[C@H]1F ZINC000903840193 584807208 /nfs/dbraw/zinc/80/72/08/584807208.db2.gz PETMQDWUKVESAG-VXGBXAGGSA-N 2 0 230.327 0.781 20 0 BCADRP NC[C@]12CC[C@@H]1CC[N@@H+]2CC1CC[NH2+]CC1 ZINC000903850131 584808072 /nfs/dbraw/zinc/80/80/72/584808072.db2.gz KWAJNJBSVOBTFJ-CHWSQXEVSA-N 2 0 223.364 0.799 20 0 BCADRP NC[C@]12CC[C@H]1CC[N@@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000903858873 584810965 /nfs/dbraw/zinc/81/09/65/584810965.db2.gz JROHLZUXWDTKCK-RWMBFGLXSA-N 2 0 223.364 0.799 20 0 BCADRP [NH3+]C[C@@]12CC[C@H]1CCN2C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000903859912 584811747 /nfs/dbraw/zinc/81/17/47/584811747.db2.gz PXKBOJPMTXOPCO-BJDJZHNGSA-N 2 0 227.327 0.500 20 0 BCADRP NC[C@@]12CC[C@H]1CC[N@@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903861219 584812556 /nfs/dbraw/zinc/81/25/56/584812556.db2.gz WFONAOPRHVIMDU-VOAKCMCISA-N 2 0 223.364 0.927 20 0 BCADRP CSC[C@H](O)CN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903864094 584813065 /nfs/dbraw/zinc/81/30/65/584813065.db2.gz RCVKNLTZWKNDHU-HBNTYKKESA-N 2 0 230.377 0.524 20 0 BCADRP [NH3+]C[C@@]12CC[C@H]1CCN2CCC[NH2+]C1CC1 ZINC000903862950 584813445 /nfs/dbraw/zinc/81/34/45/584813445.db2.gz HHDYAJLENWYZHY-AAEUAGOBSA-N 2 0 223.364 0.942 20 0 BCADRP C(CN1CCC[C@]12CC[NH2+]C2)O[C@@H]1CCOC1 ZINC000903869124 584813585 /nfs/dbraw/zinc/81/35/85/584813585.db2.gz BOZVWYAAOHJFEH-CHWSQXEVSA-N 2 0 240.347 0.620 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@]23CC[NH2+]C3)C1 ZINC000903869155 584814473 /nfs/dbraw/zinc/81/44/73/584814473.db2.gz CMSDRMVCKAHDHY-XQQFMLRXSA-N 3 0 223.364 0.942 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1CCC[C@H]([NH3+])C1 ZINC000903873105 584815108 /nfs/dbraw/zinc/81/51/08/584815108.db2.gz FQMWAMXXVUQJLJ-JGVFFNPUSA-N 2 0 207.268 0.392 20 0 BCADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCCC2)cnn1C ZINC000903872054 584815154 /nfs/dbraw/zinc/81/51/54/584815154.db2.gz CAVWVWOFESNXAW-GFCCVEGCSA-N 2 0 236.363 0.942 20 0 BCADRP [NH3+][C@H](CC(F)F)CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000903873015 584815218 /nfs/dbraw/zinc/81/52/18/584815218.db2.gz DCUGQNDNEIOTSM-SCZZXKLOSA-N 2 0 233.306 0.795 20 0 BCADRP C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)CC[C@@H]1[NH3+] ZINC000903873058 584815288 /nfs/dbraw/zinc/81/52/88/584815288.db2.gz FGVYDKQQJFNHMS-HLTSFMKQSA-N 2 0 221.295 0.638 20 0 BCADRP C[C@]12CSC[C@H]1C[N@H+](CCOCC[NH3+])C2 ZINC000903871926 584815293 /nfs/dbraw/zinc/81/52/93/584815293.db2.gz SPAAELRYQFKOBU-MNOVXSKESA-N 2 0 230.377 0.647 20 0 BCADRP C[NH2+][C@H]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903874391 584815715 /nfs/dbraw/zinc/81/57/15/584815715.db2.gz ZOVGYLBVXGISKD-WVMKXHBISA-N 2 0 223.364 0.811 20 0 BCADRP CN(C[C@H]([NH3+])CC(F)F)CC(C)(C)C[NH3+] ZINC000903873727 584815872 /nfs/dbraw/zinc/81/58/72/584815872.db2.gz LROGREGSSMTLHB-MRVPVSSYSA-N 2 0 223.311 0.886 20 0 BCADRP C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)C[C@@H](C)[NH2+]1 ZINC000903874098 584816099 /nfs/dbraw/zinc/81/60/99/584816099.db2.gz SHVXLANBEGQZBF-IWSPIJDZSA-N 2 0 221.295 0.651 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1CCC[NH2+]CC1 ZINC000903874017 584816105 /nfs/dbraw/zinc/81/61/05/584816105.db2.gz QRDPMJZYSPIWCR-MRVPVSSYSA-N 2 0 207.268 0.264 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C[C@@H]([NH3+])CC(F)F ZINC000903873682 584816160 /nfs/dbraw/zinc/81/61/60/584816160.db2.gz KEZGGJQHBAVCOQ-IUCAKERBSA-N 2 0 221.295 0.653 20 0 BCADRP [NH3+]CC1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903873949 584816174 /nfs/dbraw/zinc/81/61/74/584816174.db2.gz OPNLZYYQWJLMRE-SECBINFHSA-N 2 0 221.295 0.640 20 0 BCADRP CCCN(CCO)C[C@H]([NH3+])CC(F)F ZINC000903876991 584816649 /nfs/dbraw/zinc/81/66/49/584816649.db2.gz JRRYJAJTSXZTTK-MRVPVSSYSA-N 2 0 210.268 0.673 20 0 BCADRP CCN(C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903877513 584816810 /nfs/dbraw/zinc/81/68/10/584816810.db2.gz BFTCHYYRAMBTEG-JTQLQIEISA-N 2 0 223.324 0.654 20 0 BCADRP C[C@@H](O)CCN(C)C[C@@H]([NH3+])CC(F)F ZINC000903897019 584820070 /nfs/dbraw/zinc/82/00/70/584820070.db2.gz XUULQEGQHJCRRV-SFYZADRCSA-N 2 0 210.268 0.672 20 0 BCADRP [NH3+][C@@H](CN[C@H]1C[NH2+]CCC1(F)F)CC(F)F ZINC000903918634 584822579 /nfs/dbraw/zinc/82/25/79/584822579.db2.gz DAPKAFVMVNNXIR-RQJHMYQMSA-N 2 0 243.248 0.556 20 0 BCADRP C([NH2+][C@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918568 584822836 /nfs/dbraw/zinc/82/28/36/584822836.db2.gz BULVFLRPDOKVCO-YATPEIPISA-N 3 0 209.337 0.469 20 0 BCADRP COCCNCC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918767 584822994 /nfs/dbraw/zinc/82/29/94/584822994.db2.gz HJIZKCKWRKWUBZ-YHWZYXNKSA-N 2 0 241.379 0.343 20 0 BCADRP C([NH2+][C@H]1CCCNC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920445 584823224 /nfs/dbraw/zinc/82/32/24/584823224.db2.gz VEBSMPGWJHRFHW-WVMKXHBISA-N 2 0 223.364 0.859 20 0 BCADRP C[C@]1(CNC[C@H]([NH3+])CC(F)F)CCC[NH2+]C1 ZINC000903921005 584823377 /nfs/dbraw/zinc/82/33/77/584823377.db2.gz ZLKKEOHGCZSGBK-KOLCDFICSA-N 2 0 235.322 0.948 20 0 BCADRP CC(C)C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903924882 584823623 /nfs/dbraw/zinc/82/36/23/584823623.db2.gz JFAXWCOXYXXCJL-LLVKDONJSA-N 2 0 237.351 0.948 20 0 BCADRP [NH3+][C@@H](CN[C@@H]1CCCC[C@H]1[NH3+])CC(F)F ZINC000903929995 584824086 /nfs/dbraw/zinc/82/40/86/584824086.db2.gz PRFABNVIJJEVBA-IWSPIJDZSA-N 2 0 221.295 0.828 20 0 BCADRP C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N(C)C ZINC000903925649 584823738 /nfs/dbraw/zinc/82/37/38/584823738.db2.gz HLHCOFBSGSFJSV-YEJSDXFRSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H](O)C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903923380 584823768 /nfs/dbraw/zinc/82/37/68/584823768.db2.gz SIMBBEORDOZHNG-SNVBAGLBSA-N 2 0 220.316 0.803 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1CCC[C@@H]1CCO ZINC000903929640 584824469 /nfs/dbraw/zinc/82/44/69/584824469.db2.gz IIOXIJOQCILLRP-RKDXNWHRSA-N 2 0 222.279 0.816 20 0 BCADRP [NH3+][C@@H](CN[C@@H]1CC[NH2+]C12CCC2)CC(F)F ZINC000903936346 584825499 /nfs/dbraw/zinc/82/54/99/584825499.db2.gz ZMEAZXFZFBBANS-RKDXNWHRSA-N 2 0 233.306 0.843 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903935122 584825788 /nfs/dbraw/zinc/82/57/88/584825788.db2.gz NQCYJZISURFJBF-HLTSFMKQSA-N 2 0 219.279 0.405 20 0 BCADRP [NH3+][C@H](CN[C@H]1CC[NH2+]C12CCC2)CC(F)F ZINC000903936345 584825988 /nfs/dbraw/zinc/82/59/88/584825988.db2.gz ZMEAZXFZFBBANS-IUCAKERBSA-N 2 0 233.306 0.843 20 0 BCADRP C[C@H]([NH2+]C[C@@H](N)CC(F)F)C1CC[NH2+]CC1 ZINC000903937506 584826132 /nfs/dbraw/zinc/82/61/32/584826132.db2.gz MGMDZZFOIWASAY-WPRPVWTQSA-N 2 0 235.322 0.947 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C[C@H]([NH3+])CC(F)F)CC[C@H]21 ZINC000903937403 584826565 /nfs/dbraw/zinc/82/65/65/584826565.db2.gz KEVAYWSPTZQGPA-GMTAPVOTSA-N 2 0 247.333 0.995 20 0 BCADRP C[C@@H]([NH2+]C[C@H](N)CC(F)F)C1CC[NH2+]CC1 ZINC000903937503 584826630 /nfs/dbraw/zinc/82/66/30/584826630.db2.gz MGMDZZFOIWASAY-PSASIEDQSA-N 2 0 235.322 0.947 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1CC[NH2+]C[C@H]1C(F)F ZINC000903916999 584826869 /nfs/dbraw/zinc/82/68/69/584826869.db2.gz JGSBYKRFTPUURN-RQJHMYQMSA-N 2 0 243.248 0.508 20 0 BCADRP [NH3+][C@@H](CNC[C@H]1CCCC[NH2+]1)CC(F)F ZINC000903918287 584827007 /nfs/dbraw/zinc/82/70/07/584827007.db2.gz WGOZPLNWOYAYME-RKDXNWHRSA-N 2 0 221.295 0.701 20 0 BCADRP CCS(=O)(=O)C[C@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000903939738 584829187 /nfs/dbraw/zinc/82/91/87/584829187.db2.gz LDMYMNIWWLTGHC-VIFPVBQESA-N 2 0 236.381 0.527 20 0 BCADRP C[C@@H]1C[C@@H](C[NH2+][C@]23C[C@H]2COC3)CC[NH2+]1 ZINC000903951370 584830638 /nfs/dbraw/zinc/83/06/38/584830638.db2.gz XOXFSFZINIXQLE-RHYQMDGZSA-N 2 0 210.321 0.753 20 0 BCADRP C[C@@]1(CNC[C@@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000903956109 584831826 /nfs/dbraw/zinc/83/18/26/584831826.db2.gz GZSHFWDQWBBXHW-WDEREUQCSA-N 2 0 247.333 0.820 20 0 BCADRP CC(C)[C@H](C[NH3+])CNCc1cc(N)cc[nH+]1 ZINC000903954323 584832353 /nfs/dbraw/zinc/83/23/53/584832353.db2.gz QOMGQNFKSRXHNZ-SNVBAGLBSA-N 2 0 222.336 0.984 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CNC[C@@H](C)C1 ZINC000903979210 584833487 /nfs/dbraw/zinc/83/34/87/584833487.db2.gz YPWFMLHQAPUHDW-UMSGYPCISA-N 2 0 225.380 0.820 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1NC[C@@H]([NH3+])CC(F)F ZINC000903963540 584833617 /nfs/dbraw/zinc/83/36/17/584833617.db2.gz AQSZZUINOBLHEN-GJMOJQLCSA-N 2 0 207.268 0.166 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000903966722 584834516 /nfs/dbraw/zinc/83/45/16/584834516.db2.gz AIGYUHVBHPRRIR-RHYQMDGZSA-N 2 0 211.353 0.701 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000903968453 584834924 /nfs/dbraw/zinc/83/49/24/584834924.db2.gz WORPOFPUHXEVOD-GRYCIOLGSA-N 2 0 211.353 0.574 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CNC[C@@H]([NH3+])CC(F)F ZINC000903967075 584835013 /nfs/dbraw/zinc/83/50/13/584835013.db2.gz GMISSKRWMKWFSM-VGMNWLOBSA-N 2 0 221.295 0.414 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CNC[C@]12C[C@H]1C[NH2+]C2 ZINC000903967411 584835194 /nfs/dbraw/zinc/83/51/94/584835194.db2.gz JFPDFBQBKUQCOM-RHYQMDGZSA-N 2 0 209.337 0.041 20 0 BCADRP C[NH2+][C@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904298539 584860039 /nfs/dbraw/zinc/86/00/39/584860039.db2.gz WJWJNICXGJVUFE-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@H](C[NH3+])N(C)Cc1ccc(C[NH3+])cc1 ZINC000904299342 584860148 /nfs/dbraw/zinc/86/01/48/584860148.db2.gz BMOPUGSCLMTAHO-SNVBAGLBSA-N 2 0 207.321 0.924 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299896 584860869 /nfs/dbraw/zinc/86/08/69/584860869.db2.gz QWYALPGGHDZLFD-FIQHERPVSA-N 2 0 211.353 0.783 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904299673 584860922 /nfs/dbraw/zinc/86/09/22/584860922.db2.gz LKDRJMCYYJFHKI-STQMWFEESA-N 2 0 225.380 0.917 20 0 BCADRP C[C@]1(C[N@@H+]2CCC[C@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904301533 584861481 /nfs/dbraw/zinc/86/14/81/584861481.db2.gz NCNOCUAILXARII-AAEUAGOBSA-N 2 0 239.363 0.573 20 0 BCADRP CCNC(=O)CN(CC)C[C@@]1(C)CCC[NH2+]C1 ZINC000904304005 584862087 /nfs/dbraw/zinc/86/20/87/584862087.db2.gz ORTOTJSLQPVWKK-ZDUSSCGKSA-N 2 0 241.379 0.834 20 0 BCADRP C[C@]1(C[N@H+](CCO)C2CC2)CCC[NH2+]C1 ZINC000904308648 584862795 /nfs/dbraw/zinc/86/27/95/584862795.db2.gz UJVGBLGIVFISNW-LBPRGKRZSA-N 2 0 212.337 0.833 20 0 BCADRP CCCNC(=O)C[N@H+](CCC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313718 584863353 /nfs/dbraw/zinc/86/33/53/584863353.db2.gz YMVTVENPNFXSRO-TXEJJXNPSA-N 2 0 241.379 0.962 20 0 BCADRP C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313619 584863434 /nfs/dbraw/zinc/86/34/34/584863434.db2.gz XBLMHVKOLICOIM-BJHJDKERSA-N 2 0 247.342 0.955 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](C3OCCO3)C2)C1 ZINC000904316921 584864108 /nfs/dbraw/zinc/86/41/08/584864108.db2.gz SCPLPNTWGBODFN-SDDRHHMPSA-N 2 0 240.347 0.809 20 0 BCADRP C[C@@H](O)C[C@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321885 584864487 /nfs/dbraw/zinc/86/44/87/584864487.db2.gz JLXMDOIDTUZECE-WISYIIOYSA-N 2 0 212.337 0.959 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCOC[C@@H]2C2CC2)C1 ZINC000904323726 584864523 /nfs/dbraw/zinc/86/45/23/584864523.db2.gz RIXWZCAPVHDTQP-ADEWGFFLSA-N 2 0 210.321 0.835 20 0 BCADRP NC(=O)CCC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904324349 584864868 /nfs/dbraw/zinc/86/48/68/584864868.db2.gz WBNNZKIQZLBISU-TXEJJXNPSA-N 2 0 239.363 0.701 20 0 BCADRP CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904326738 584865517 /nfs/dbraw/zinc/86/55/17/584865517.db2.gz RNRLJVJXMGQWBY-GARJFASQSA-N 2 0 228.336 0.996 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)C1 ZINC000904328437 584865604 /nfs/dbraw/zinc/86/56/04/584865604.db2.gz OPDJIASKRCDTBN-YVECIDJPSA-N 2 0 240.347 0.604 20 0 BCADRP C[C@@H](O)[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904330094 584866097 /nfs/dbraw/zinc/86/60/97/584866097.db2.gz ZIORQYJWJNHBFT-WYUUTHIRSA-N 2 0 212.337 0.817 20 0 BCADRP CC(C)[C@@H]1CN(C)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904332080 584866269 /nfs/dbraw/zinc/86/62/69/584866269.db2.gz MZVPUENPGZTWPQ-XQQFMLRXSA-N 2 0 225.380 0.996 20 0 BCADRP Nc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)nn1 ZINC000904333969 584866800 /nfs/dbraw/zinc/86/68/00/584866800.db2.gz HVVMPIBQRCTHTL-SNVBAGLBSA-N 2 0 235.335 0.620 20 0 BCADRP CC(C)C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341185 584867077 /nfs/dbraw/zinc/86/70/77/584867077.db2.gz KBWSJOVQHUIDQM-GRYCIOLGSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@]1(C(N)=O)CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904342683 584867254 /nfs/dbraw/zinc/86/72/54/584867254.db2.gz NGDNTCAFRDOVRG-STQMWFEESA-N 2 0 239.363 0.573 20 0 BCADRP CCC[C@]1(C)C(=O)NCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904342564 584867350 /nfs/dbraw/zinc/86/73/50/584867350.db2.gz KQWGKRAGZUFFBI-NTZNESFSSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]1C(=O)N(CC)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343268 584867702 /nfs/dbraw/zinc/86/77/02/584867702.db2.gz ROFLNVTXAGKSOE-GRYCIOLGSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@H]1C(=O)N(CC)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343269 584867735 /nfs/dbraw/zinc/86/77/35/584867735.db2.gz ROFLNVTXAGKSOE-TUAOUCFPSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H](N3CCCC3=O)C2)C1 ZINC000904345909 584868251 /nfs/dbraw/zinc/86/82/51/584868251.db2.gz LNECLYCEBPAJBO-TUAOUCFPSA-N 2 0 237.347 0.420 20 0 BCADRP COCCC[N@H+](CCO)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345331 584868599 /nfs/dbraw/zinc/86/85/99/584868599.db2.gz GUSHIKLWRFWXSI-PHIMTYICSA-N 2 0 216.325 0.055 20 0 BCADRP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350098 584868845 /nfs/dbraw/zinc/86/88/45/584868845.db2.gz HXSXBJBWRYIDKB-GRYCIOLGSA-N 3 0 211.353 0.927 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000904351627 584869569 /nfs/dbraw/zinc/86/95/69/584869569.db2.gz ZVXROMFAWNNXOD-TUAOUCFPSA-N 3 0 209.337 0.409 20 0 BCADRP c1cn(C2CC2)c(CN[C@H]2CC[NH2+]C2)n1 ZINC000904353204 584869974 /nfs/dbraw/zinc/86/99/74/584869974.db2.gz IKERSMJIVSYARL-VIFPVBQESA-N 2 0 206.293 0.670 20 0 BCADRP C[C@@]1(CN[C@@H]2C[NH2+]CCC2(F)F)CCC[NH2+]C1 ZINC000904354648 584870738 /nfs/dbraw/zinc/87/07/38/584870738.db2.gz IGQIIXXETFWIKS-GHMZBOCLSA-N 2 0 247.333 0.963 20 0 BCADRP C[C@@]1(CN[C@H]2C[NH2+]CCC2(F)F)CCC[NH2+]C1 ZINC000904354651 584870931 /nfs/dbraw/zinc/87/09/31/584870931.db2.gz IGQIIXXETFWIKS-WDEREUQCSA-N 2 0 247.333 0.963 20 0 BCADRP CC[NH2+][C@H](C)CNC[C@@]1(C)CCC[NH2+]C1 ZINC000904356710 584871264 /nfs/dbraw/zinc/87/12/64/584871264.db2.gz YHYOJVJVTAZZJI-NEPJUHHUSA-N 2 0 213.369 0.964 20 0 BCADRP CC1(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC000904356407 584871314 /nfs/dbraw/zinc/87/13/14/584871314.db2.gz WVEJZGBMYJHPQM-PHIMTYICSA-N 3 0 211.353 0.703 20 0 BCADRP C[C@H](O)CN1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904368655 584872662 /nfs/dbraw/zinc/87/26/62/584872662.db2.gz LRSVQTZYQMNVRL-ZDEQEGDKSA-N 2 0 241.379 0.111 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+]C2(CO)CCSCC2)C1 ZINC000904371537 584873363 /nfs/dbraw/zinc/87/33/63/584873363.db2.gz PTUDFEYEMJVBLE-AOOOYVTPSA-N 2 0 230.377 0.571 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](n3ccnn3)C2)C1 ZINC000904373138 584873877 /nfs/dbraw/zinc/87/38/77/584873877.db2.gz BLCBBZAEVYFSRY-TUAOUCFPSA-N 2 0 235.335 0.652 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC3(CC[NH2+]3)CC2)C1 ZINC000904373540 584873975 /nfs/dbraw/zinc/87/39/75/584873975.db2.gz SVWIDXQNRSUBAH-PHIMTYICSA-N 3 0 209.337 0.552 20 0 BCADRP CC(C)N1CC[C@H]([NH2+]C2CC(C[NH3+])C2)C1=O ZINC000904363453 584874515 /nfs/dbraw/zinc/87/45/15/584874515.db2.gz FXHFGSUXNIQGGD-ILDUYXDCSA-N 2 0 225.336 0.323 20 0 BCADRP CCOC(=O)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000904389858 584875399 /nfs/dbraw/zinc/87/53/99/584875399.db2.gz WQCQTBAEZWOHLG-LBPRGKRZSA-N 2 0 240.347 0.871 20 0 BCADRP Cc1ncsc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396341 584875494 /nfs/dbraw/zinc/87/54/94/584875494.db2.gz HCEQNIIYIBUSFK-UHFFFAOYSA-N 2 0 240.376 0.446 20 0 BCADRP CCOC(=O)[C@H]1CC[N@H+](CCC[NH3+])C1 ZINC000904389339 584875514 /nfs/dbraw/zinc/87/55/14/584875514.db2.gz KOXSUSLYNUWJMM-VIFPVBQESA-N 2 0 200.282 0.220 20 0 BCADRP CCO[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000904376360 584876399 /nfs/dbraw/zinc/87/63/99/584876399.db2.gz PPFFCWPEHCYRIV-WISYIIOYSA-N 3 0 227.352 0.019 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000904380131 584876478 /nfs/dbraw/zinc/87/64/78/584876478.db2.gz IQRQAANOVLTQTI-NNYUYHANSA-N 3 0 209.337 0.537 20 0 BCADRP [NH3+]Cc1ccc(C[NH2+]C[C@H]2COCCN2)cc1 ZINC000904381450 584876705 /nfs/dbraw/zinc/87/67/05/584876705.db2.gz PJXPBPCJEXXHNV-ZDUSSCGKSA-N 2 0 235.331 0.223 20 0 BCADRP C[C@@]12COC[C@H]1C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904379230 584876722 /nfs/dbraw/zinc/87/67/22/584876722.db2.gz RJFDCPHTXFWEGF-WISYIIOYSA-N 2 0 210.321 0.692 20 0 BCADRP COCCC1([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC000904384371 584877284 /nfs/dbraw/zinc/87/72/84/584877284.db2.gz JZIWCACLLCOFJQ-TXEJJXNPSA-N 3 0 241.379 0.472 20 0 BCADRP [NH3+]CC[C@@H]1CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000904407104 584878202 /nfs/dbraw/zinc/87/82/02/584878202.db2.gz NINXIFABNRYCJC-VOMCLLRMSA-N 2 0 209.337 0.409 20 0 BCADRP COC[C@H](C)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420746 584881869 /nfs/dbraw/zinc/88/18/69/584881869.db2.gz WBAFGQXJRFLOHI-GRYCIOLGSA-N 2 0 212.337 0.810 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000904419172 584881942 /nfs/dbraw/zinc/88/19/42/584881942.db2.gz PETUAZBACAMHBF-IJLUTSLNSA-N 3 0 213.369 0.886 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000904419600 584882070 /nfs/dbraw/zinc/88/20/70/584882070.db2.gz ZBDXYRWAOINUIV-GRYCIOLGSA-N 2 0 213.369 0.744 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[NH2+]1 ZINC000904420505 584882191 /nfs/dbraw/zinc/88/21/91/584882191.db2.gz QVLCJRVHZZFPTH-YIYPIFLZSA-N 3 0 237.391 0.916 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC[C@H]1[NH3+] ZINC000876533583 584885874 /nfs/dbraw/zinc/88/58/74/584885874.db2.gz UAOJOOKHGBGYAX-XAVMHZPKSA-N 2 0 247.289 0.022 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000876530344 584885961 /nfs/dbraw/zinc/88/59/61/584885961.db2.gz LZHKEIXLWOWPQW-VHSXEESVSA-N 2 0 239.363 0.748 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CC[NH2+]CC1(C)C ZINC000876537931 584885965 /nfs/dbraw/zinc/88/59/65/584885965.db2.gz HVYLFSVZBZBMKF-NXEZZACHSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)C1CC1 ZINC000876529666 584885968 /nfs/dbraw/zinc/88/59/68/584885968.db2.gz JQWHLOPQAFKAMZ-PTOFAABTSA-N 2 0 243.326 0.178 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H]1C ZINC000876831781 584887540 /nfs/dbraw/zinc/88/75/40/584887540.db2.gz KATLHFNFMJPNSF-WRWGMCAJSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)C[C@H]1[NH3+] ZINC000876915211 584887850 /nfs/dbraw/zinc/88/78/50/584887850.db2.gz NLXBNQNYLFQFNH-UZWSLXQKSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000876996735 584888718 /nfs/dbraw/zinc/88/87/18/584888718.db2.gz AVDFHKWVACMCGP-PWSUYJOCSA-N 2 0 243.326 0.144 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC000877107212 584890350 /nfs/dbraw/zinc/89/03/50/584890350.db2.gz ZYYWPLTVQHQPLR-LLVKDONJSA-N 2 0 227.352 0.524 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884027378 584901947 /nfs/dbraw/zinc/90/19/47/584901947.db2.gz AAQIVUFNCJAZHJ-GHMZBOCLSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000834608860 584914139 /nfs/dbraw/zinc/91/41/39/584914139.db2.gz YGEITAZJDPHBIC-CMPLNLGQSA-N 2 0 235.331 0.930 20 0 BCADRP CC[C@@H]1CN(C(=O)C[C@@H]([NH3+])C2CC2)CC[C@H]1[NH3+] ZINC000834648288 584914369 /nfs/dbraw/zinc/91/43/69/584914369.db2.gz ULBVAUUMRINHDD-YUSALJHKSA-N 2 0 239.363 0.700 20 0 BCADRP CC[C@@H]1CN(C(=O)C[C@@H]([NH3+])C2CC2)CC[C@@H]1[NH3+] ZINC000834648277 584914409 /nfs/dbraw/zinc/91/44/09/584914409.db2.gz ULBVAUUMRINHDD-ADEWGFFLSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H](NC(=O)c1cccc(C[NH3+])c1)[C@H](C)[NH3+] ZINC000834822734 584914881 /nfs/dbraw/zinc/91/48/81/584914881.db2.gz YYPUOUDLXQFVQR-DTWKUNHWSA-N 2 0 221.304 0.611 20 0 BCADRP COCC[C@@H]([NH3+])C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000884034740 584939588 /nfs/dbraw/zinc/93/95/88/584939588.db2.gz KSSMFPDOOFJNRY-PWSUYJOCSA-N 2 0 245.367 0.230 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884043376 584940487 /nfs/dbraw/zinc/94/04/87/584940487.db2.gz UUGWBTIOBPXFGB-QWRGUYRKSA-N 2 0 227.352 0.748 20 0 BCADRP CN(C(=O)[C@@H]1C[NH2+]CC1(C)C)C1CC([NH3+])C1 ZINC000884298503 584949031 /nfs/dbraw/zinc/94/90/31/584949031.db2.gz UERDIDMLUJMHPA-RTBKNWGFSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884359288 584951282 /nfs/dbraw/zinc/95/12/82/584951282.db2.gz HBVKBUWXDKBMOQ-UJNFCWOMSA-N 2 0 225.336 0.369 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000884363722 584951409 /nfs/dbraw/zinc/95/14/09/584951409.db2.gz HTRIWCYCDJEKGS-JXUBOQSCSA-N 2 0 243.326 0.176 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000884363723 584951422 /nfs/dbraw/zinc/95/14/22/584951422.db2.gz HTRIWCYCDJEKGS-QCLAVDOMSA-N 2 0 243.326 0.176 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000884363721 584951578 /nfs/dbraw/zinc/95/15/78/584951578.db2.gz HTRIWCYCDJEKGS-IMSYWVGJSA-N 2 0 243.326 0.176 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CCC(=O)O2)C1 ZINC000821386733 585016261 /nfs/dbraw/zinc/01/62/61/585016261.db2.gz NBEUFMJUHRYFJA-RYUDHWBXSA-N 2 0 240.347 0.966 20 0 BCADRP CC[C@]1(C(=O)NC[C@@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000215296995 585023620 /nfs/dbraw/zinc/02/36/20/585023620.db2.gz MWEUWSNVIVAGAM-ZYHUDNBSSA-N 2 0 227.352 0.585 20 0 BCADRP CC(=O)NCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000738876561 585053947 /nfs/dbraw/zinc/05/39/47/585053947.db2.gz KHPZZRIXGLEOJE-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP C[NH+](C)CCCCC(=O)NCC[NH+]1CCC1 ZINC000752296119 585244773 /nfs/dbraw/zinc/24/47/73/585244773.db2.gz PYNXKPHXTZXMHM-UHFFFAOYSA-N 2 0 227.352 0.540 20 0 BCADRP [NH3+][C@@H]1CCN(Cc2ccc(-n3ccnc3)nc2)C1 ZINC000843044379 585330490 /nfs/dbraw/zinc/33/04/90/585330490.db2.gz ABOQJQRADCPVSV-GFCCVEGCSA-N 2 0 243.314 0.800 20 0 BCADRP C[C@@H](O)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000760833087 585398323 /nfs/dbraw/zinc/39/83/23/585398323.db2.gz YWWQSMCDNYCCOK-CYBMUJFWSA-N 2 0 241.379 0.081 20 0 BCADRP C[N@@H+]1CCC[C@H]1CCNC1(C(N)=O)CCCC1 ZINC000767429131 585520185 /nfs/dbraw/zinc/52/01/85/585520185.db2.gz KTPKQHQEGDBCBW-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CCO ZINC000770000368 585569105 /nfs/dbraw/zinc/56/91/05/585569105.db2.gz CODHEIXYDLDLLS-OLZOCXBDSA-N 2 0 243.395 0.373 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(Cn2cnnc2)C1 ZINC000776760093 585704803 /nfs/dbraw/zinc/70/48/03/585704803.db2.gz JPLKTACTXIMJMM-LBPRGKRZSA-N 2 0 237.351 0.899 20 0 BCADRP C[C@@H](CCO)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000779383801 585752854 /nfs/dbraw/zinc/75/28/54/585752854.db2.gz PDUQVYXUTBJSML-LBPRGKRZSA-N 2 0 243.395 0.373 20 0 BCADRP C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000788327764 585922042 /nfs/dbraw/zinc/92/20/42/585922042.db2.gz RNQPHYPHRGVPAM-VXGBXAGGSA-N 2 0 235.331 0.973 20 0 BCADRP CC(C)C[N@@H+](CC(N)=O)CC1CC[NH+](C)CC1 ZINC000788475715 585925118 /nfs/dbraw/zinc/92/51/18/585925118.db2.gz TVBNJRLZFQTXIM-UHFFFAOYSA-N 2 0 241.379 0.772 20 0 BCADRP COCC[NH+](CCOC)CC1CC[NH+](C)CC1 ZINC000788470179 585925213 /nfs/dbraw/zinc/92/52/13/585925213.db2.gz MRIZUMLXMSUIQN-UHFFFAOYSA-N 2 0 244.379 0.923 20 0 BCADRP C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000795140559 586069452 /nfs/dbraw/zinc/06/94/52/586069452.db2.gz OVTQZSSHOUOQMN-VXGBXAGGSA-N 2 0 235.331 0.973 20 0 BCADRP CC[NH2+]CC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000817860296 586831003 /nfs/dbraw/zinc/83/10/03/586831003.db2.gz FXALXQCKVHAXIG-DCAQKATOSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000817914338 586831828 /nfs/dbraw/zinc/83/18/28/586831828.db2.gz VHZMJPJHHPUHOQ-WOPDTQHZSA-N 2 0 211.353 0.940 20 0 BCADRP CN1CC[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000817888522 586832371 /nfs/dbraw/zinc/83/23/71/586832371.db2.gz HGLLXMXHQMHZAD-SRVKXCTJSA-N 2 0 211.353 0.940 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(C)OCCO1 ZINC000817916035 586839762 /nfs/dbraw/zinc/83/97/62/586839762.db2.gz CMECDNKRWFZRDC-MNOVXSKESA-N 2 0 228.336 0.727 20 0 BCADRP C[C@@H]([NH2+][C@H](CCO)C1CC1)[C@H]1CCC[NH2+]1 ZINC000817919709 586840190 /nfs/dbraw/zinc/84/01/90/586840190.db2.gz UIRZQRIBHWZMGN-YUSALJHKSA-N 2 0 212.337 0.878 20 0 BCADRP [NH3+]Cc1cccc(C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000818561445 586901721 /nfs/dbraw/zinc/90/17/21/586901721.db2.gz UUZXZOXYLHZDAS-NSHDSACASA-N 2 0 219.288 0.237 20 0 BCADRP CC[NH2+]CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000818574775 586902644 /nfs/dbraw/zinc/90/26/44/586902644.db2.gz NHGGLNMNTDZECX-AXFHLTTASA-N 2 0 225.336 0.182 20 0 BCADRP CC[NH2+]CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000818595118 586904517 /nfs/dbraw/zinc/90/45/17/586904517.db2.gz COYQUOWXNHCCHG-JTQLQIEISA-N 2 0 213.325 0.244 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CCC[NH2+]1 ZINC000818612886 586906286 /nfs/dbraw/zinc/90/62/86/586906286.db2.gz WYBBPJIRKDTYSE-QWHCGFSZSA-N 2 0 237.347 0.483 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC000822571665 587175553 /nfs/dbraw/zinc/17/55/53/587175553.db2.gz UOGUQYPOCHSRAI-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000824681660 587282487 /nfs/dbraw/zinc/28/24/87/587282487.db2.gz OQXFROHPPVHCEY-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000827777016 587401513 /nfs/dbraw/zinc/40/15/13/587401513.db2.gz KJTQISWFHXUCIG-CMPLNLGQSA-N 2 0 245.342 0.535 20 0 BCADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1COCCO1 ZINC000827798157 587403192 /nfs/dbraw/zinc/40/31/92/587403192.db2.gz MDCMEJVZMUFION-CYBMUJFWSA-N 2 0 242.363 0.675 20 0 BCADRP CC[C@H](O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830653091 587562874 /nfs/dbraw/zinc/56/28/74/587562874.db2.gz UHZVEOMBAJXYFM-LBPRGKRZSA-N 2 0 242.363 0.554 20 0 BCADRP [NH3+]CCCCCCNC(=O)NCCC[NH3+] ZINC000831178544 587589591 /nfs/dbraw/zinc/58/95/91/587589591.db2.gz TXPMJFSVHSICBY-UHFFFAOYSA-N 2 0 216.329 0.154 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)NCCCCCC[NH3+] ZINC000831191123 587590785 /nfs/dbraw/zinc/59/07/85/587590785.db2.gz GUOMIVNRGXYVHO-VIFPVBQESA-N 2 0 216.329 0.152 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCCCCC[NH3+] ZINC000831224078 587592901 /nfs/dbraw/zinc/59/29/01/587592901.db2.gz WDZNRGVDWUFPBX-GHMZBOCLSA-N 2 0 244.383 0.931 20 0 BCADRP [NH3+]Cc1cccc(C(=O)NCC2([NH3+])CCC2)c1 ZINC000831545874 587618160 /nfs/dbraw/zinc/61/81/60/587618160.db2.gz BGKTYZCPEOQSHA-UHFFFAOYSA-N 2 0 233.315 0.757 20 0 BCADRP [NH3+]CCCCCC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000831578274 587620128 /nfs/dbraw/zinc/62/01/28/587620128.db2.gz MCAYIDSDDOGTKD-ZDUSSCGKSA-N 2 0 239.363 0.718 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000831898645 587635784 /nfs/dbraw/zinc/63/57/84/587635784.db2.gz MAVBBPHKEILPQN-CMPLNLGQSA-N 2 0 243.326 0.241 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000831898648 587635839 /nfs/dbraw/zinc/63/58/39/587635839.db2.gz MAVBBPHKEILPQN-PWSUYJOCSA-N 2 0 243.326 0.241 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000831898650 587636013 /nfs/dbraw/zinc/63/60/13/587636013.db2.gz MAVBBPHKEILPQN-ZYHUDNBSSA-N 2 0 243.326 0.241 20 0 BCADRP C[C@@H](C(=O)NCC[N@@H+]1CCC[C@@H]1C)[C@H](C)[NH3+] ZINC000831971259 587639787 /nfs/dbraw/zinc/63/97/87/587639787.db2.gz UPEAVNDDJBAVLO-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000831970398 587639951 /nfs/dbraw/zinc/63/99/51/587639951.db2.gz FYXCRZLRRPBKLA-RKDXNWHRSA-N 2 0 249.305 0.569 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000831970627 587640217 /nfs/dbraw/zinc/64/02/17/587640217.db2.gz JUXRMFXUJVDMTC-ZYHUDNBSSA-N 2 0 243.326 0.289 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000831970320 587640233 /nfs/dbraw/zinc/64/02/33/587640233.db2.gz CHQHUCVAGAHJDB-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000831970282 587640295 /nfs/dbraw/zinc/64/02/95/587640295.db2.gz BPLTYITZRBQEEI-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+]CCCC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831971451 587640586 /nfs/dbraw/zinc/64/05/86/587640586.db2.gz XUSIHDINCLFUPS-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831970426 587640607 /nfs/dbraw/zinc/64/06/07/587640607.db2.gz HCLPMCACEOCPSV-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831970602 587640658 /nfs/dbraw/zinc/64/06/58/587640658.db2.gz JJTZXWCULULILF-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831970628 587640720 /nfs/dbraw/zinc/64/07/20/587640720.db2.gz JWUNCSYGRLJUCV-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831970840 587640740 /nfs/dbraw/zinc/64/07/40/587640740.db2.gz NBMRSLMHUYIKQN-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831970842 587640762 /nfs/dbraw/zinc/64/07/62/587640762.db2.gz NBMRSLMHUYIKQN-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000832089393 587644510 /nfs/dbraw/zinc/64/45/10/587644510.db2.gz YKHCLBMXHJYXKA-LBPRGKRZSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+][C@@H](CC(=O)NCC[C@H]1CC[NH2+]C1)C1CC1 ZINC000832630647 587671298 /nfs/dbraw/zinc/67/12/98/587671298.db2.gz UBIFJDSKXRHYNH-KOLCDFICSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)c1cccc(C[NH3+])c1 ZINC000832726382 587679922 /nfs/dbraw/zinc/67/99/22/587679922.db2.gz SCVJQCSGEGILJL-SECBINFHSA-N 2 0 221.304 0.565 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000832828436 587692761 /nfs/dbraw/zinc/69/27/61/587692761.db2.gz APRQPCCISDBRCE-MNOVXSKESA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000832828437 587692835 /nfs/dbraw/zinc/69/28/35/587692835.db2.gz APRQPCCISDBRCE-QWRGUYRKSA-N 2 0 225.336 0.324 20 0 BCADRP CO[C@@H](C[NH3+])CC(=O)N(C)C1CCC([NH3+])CC1 ZINC000832829427 587692883 /nfs/dbraw/zinc/69/28/83/587692883.db2.gz XUMUHHJJHYVWFA-VQXHTEKXSA-N 2 0 243.351 0.079 20 0 BCADRP [NH3+][C@H](CC(=O)NCC1=CC[NH2+]CC1)C1CC1 ZINC000834543928 587759087 /nfs/dbraw/zinc/75/90/87/587759087.db2.gz WIJUDXWAVOPHHD-LLVKDONJSA-N 2 0 223.320 0.150 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000834640982 587762351 /nfs/dbraw/zinc/76/23/51/587762351.db2.gz CKILKDNDYJGMQK-DVVUODLYSA-N 2 0 225.336 0.228 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000834747609 587765516 /nfs/dbraw/zinc/76/55/16/587765516.db2.gz WNBJRNBOSZUFPK-DCAQKATOSA-N 2 0 243.326 0.272 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)CCCCCC[NH3+] ZINC000834821218 587767574 /nfs/dbraw/zinc/76/75/74/587767574.db2.gz LZFIHNZUBJFUJE-NXEZZACHSA-N 2 0 215.341 0.748 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)C[C@H]([NH3+])C1CC1)C(F)F ZINC000834832661 587768198 /nfs/dbraw/zinc/76/81/98/587768198.db2.gz YDUIKSBWNZGNGO-JGVFFNPUSA-N 2 0 235.278 0.213 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)C[C@@H]([NH3+])C1CC1)C(F)F ZINC000834832654 587768233 /nfs/dbraw/zinc/76/82/33/587768233.db2.gz YDUIKSBWNZGNGO-HTQZYQBOSA-N 2 0 235.278 0.213 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000834861618 587768895 /nfs/dbraw/zinc/76/88/95/587768895.db2.gz KPYNBIBORAVVOG-WCFLWFBJSA-N 2 0 247.342 0.930 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC3(C2)OCCO3)CC[NH2+]1 ZINC000841007553 587934902 /nfs/dbraw/zinc/93/49/02/587934902.db2.gz YWTWXHOFVCYQSZ-NEPJUHHUSA-N 2 0 240.347 0.823 20 0 BCADRP C[C@H]1C[C@H](C[N@@H+]2CCC3(C2)OCCO3)CC[NH2+]1 ZINC000841007555 587935012 /nfs/dbraw/zinc/93/50/12/587935012.db2.gz YWTWXHOFVCYQSZ-NWDGAFQWSA-N 2 0 240.347 0.823 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000841851805 587975959 /nfs/dbraw/zinc/97/59/59/587975959.db2.gz XXJVCQKCBQRKEP-PWSUYJOCSA-N 2 0 243.326 0.418 20 0 BCADRP [NH3+][C@H](CC(=O)NC[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000841848027 587977343 /nfs/dbraw/zinc/97/73/43/587977343.db2.gz QRLYAEBCOZGWPZ-CHWSQXEVSA-N 2 0 247.342 0.930 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C[C@H]([NH3+])C1CC1 ZINC000841848387 587977422 /nfs/dbraw/zinc/97/74/22/587977422.db2.gz HXIMMQIQDBNQFV-JTQLQIEISA-N 2 0 227.352 0.557 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000841849430 587977813 /nfs/dbraw/zinc/97/78/13/587977813.db2.gz UCMIIZAYEIIDEK-TUAOUCFPSA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+]C1(CC(=O)N[C@@H]2C[NH2+]CCC2(F)F)CCC1 ZINC000841852690 587978374 /nfs/dbraw/zinc/97/83/74/587978374.db2.gz OLVMAUCEVWZFIW-MRVPVSSYSA-N 2 0 247.289 0.371 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000841851206 587978419 /nfs/dbraw/zinc/97/84/19/587978419.db2.gz MTGFVIHHRBAYGK-RUSTZOOPSA-N 2 0 239.363 0.617 20 0 BCADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCCCNC1=O ZINC000842471860 588029208 /nfs/dbraw/zinc/02/92/08/588029208.db2.gz DJBUUVXTCRHWPN-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CN(C(=O)CCCCCC[NH3+])C[C@H]1[NH3+] ZINC000842509878 588031557 /nfs/dbraw/zinc/03/15/57/588031557.db2.gz KJKVHYKYTWRZKC-GHMZBOCLSA-N 2 0 227.352 0.701 20 0 BCADRP [NH3+]CCCCCC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842513653 588032286 /nfs/dbraw/zinc/03/22/86/588032286.db2.gz OSSQSNZINOUQAT-CYBMUJFWSA-N 2 0 239.363 0.860 20 0 BCADRP C[NH2+][C@H](C)Cc1noc(CCCCC[NH3+])n1 ZINC000842630933 588046624 /nfs/dbraw/zinc/04/66/24/588046624.db2.gz ILJKDWBJPWZGJM-SECBINFHSA-N 2 0 226.324 0.892 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CO[C@H](C)C1 ZINC000842667671 588050448 /nfs/dbraw/zinc/05/04/48/588050448.db2.gz BGFUCUYQTNTLED-NEPJUHHUSA-N 2 0 230.352 0.722 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CCCC2(C1)OCCO2 ZINC000843071103 588079187 /nfs/dbraw/zinc/07/91/87/588079187.db2.gz YPOHUVCQANVFSE-UHFFFAOYSA-N 2 0 240.347 0.825 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000843125861 588082115 /nfs/dbraw/zinc/08/21/15/588082115.db2.gz JRILDDPKUQVXDB-LPEHRKFASA-N 2 0 233.306 0.571 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843327061 588099968 /nfs/dbraw/zinc/09/99/68/588099968.db2.gz BRJMCEUEBZRTNK-SECBINFHSA-N 2 0 221.304 0.151 20 0 BCADRP [NH3+]CCCCCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000843343290 588101537 /nfs/dbraw/zinc/10/15/37/588101537.db2.gz ZCKUUHORWJCMNQ-NSHDSACASA-N 2 0 248.392 0.672 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]CCCCCC[NH3+] ZINC000843343731 588101605 /nfs/dbraw/zinc/10/16/05/588101605.db2.gz XCQLNGJGBGPDDL-SECBINFHSA-N 2 0 201.314 0.359 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000843452735 588112104 /nfs/dbraw/zinc/11/21/04/588112104.db2.gz XIXPCWZGBOQKKD-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843473004 588113694 /nfs/dbraw/zinc/11/36/94/588113694.db2.gz FNHJAXPKPXEGPO-ZDUSSCGKSA-N 2 0 239.363 0.716 20 0 BCADRP CC[NH2+]CC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843480010 588113786 /nfs/dbraw/zinc/11/37/86/588113786.db2.gz JULXGWOSXHIVKK-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)C[C@@H]2CC[NH2+]C2)[C@@H]1C ZINC000843473818 588113954 /nfs/dbraw/zinc/11/39/54/588113954.db2.gz PYPDCSBSZZJAFJ-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843484809 588114438 /nfs/dbraw/zinc/11/44/38/588114438.db2.gz LWSCTUYPRNLSSS-NEPJUHHUSA-N 2 0 239.363 0.444 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000843481658 588114460 /nfs/dbraw/zinc/11/44/60/588114460.db2.gz LZNWZTLPHMBFPB-LLVKDONJSA-N 2 0 231.315 0.322 20 0 BCADRP CC[NH2+]CC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000843499794 588116141 /nfs/dbraw/zinc/11/61/41/588116141.db2.gz NJONCZGOUDYCSJ-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000843511146 588117906 /nfs/dbraw/zinc/11/79/06/588117906.db2.gz IOENFVHMBFKIHA-NSHDSACASA-N 2 0 227.352 0.749 20 0 BCADRP CC[NH2+]CC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000844170859 588171502 /nfs/dbraw/zinc/17/15/02/588171502.db2.gz KPOYWUVZBLMRFU-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+]CC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000844171461 588171643 /nfs/dbraw/zinc/17/16/43/588171643.db2.gz IQRGKQPUGGPEPU-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC000844163007 588171690 /nfs/dbraw/zinc/17/16/90/588171690.db2.gz YACYPHFJPTUEDJ-GFCCVEGCSA-N 2 0 239.363 0.812 20 0 BCADRP CC[NH2+]CC(=O)NCC[N@H+](CC)C(C)C ZINC000844181161 588172165 /nfs/dbraw/zinc/17/21/65/588172165.db2.gz YHQCPNMTLCNXAE-UHFFFAOYSA-N 2 0 215.341 0.442 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000844190510 588172753 /nfs/dbraw/zinc/17/27/53/588172753.db2.gz JFHGSKQBXWEJDG-NXEZZACHSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)CCCC[NH+]1CCCC1 ZINC000844196622 588172768 /nfs/dbraw/zinc/17/27/68/588172768.db2.gz MHPRQJYUHXKNCP-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000844202798 588173719 /nfs/dbraw/zinc/17/37/19/588173719.db2.gz OLFSUMFHYJOJIE-GFCCVEGCSA-N 2 0 245.342 0.488 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](C)C[NH3+] ZINC000846174461 588259243 /nfs/dbraw/zinc/25/92/43/588259243.db2.gz ZFGJCDHWCGONTC-NSHDSACASA-N 2 0 244.383 0.611 20 0 BCADRP CC(C)[C@@H]1C(=O)NCC[N@H+]1CCCCCC[NH3+] ZINC000846218829 588260709 /nfs/dbraw/zinc/26/07/09/588260709.db2.gz XZTCLOCMHOYVMS-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[C@H]1C(=O)NCC[N@H+]1CCCCCC[NH3+] ZINC000846218830 588260977 /nfs/dbraw/zinc/26/09/77/588260977.db2.gz XZTCLOCMHOYVMS-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000846743490 588284078 /nfs/dbraw/zinc/28/40/78/588284078.db2.gz ZLUDOCYVFABDNP-FXPVBKGRSA-N 2 0 229.299 0.026 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CCO)C1CC1 ZINC000846855322 588293475 /nfs/dbraw/zinc/29/34/75/588293475.db2.gz UQUGDBTVNRNNLC-RYUDHWBXSA-N 2 0 230.352 0.050 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000848431739 588384151 /nfs/dbraw/zinc/38/41/51/588384151.db2.gz NGOKIUCVZPIQSM-ADEWGFFLSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000848431741 588384308 /nfs/dbraw/zinc/38/43/08/588384308.db2.gz NGOKIUCVZPIQSM-WCQGTBRESA-N 2 0 239.363 0.570 20 0 BCADRP Cn1cnc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000848562395 588397538 /nfs/dbraw/zinc/39/75/38/588397538.db2.gz JELAYWONZXIVST-KLPPZKSPSA-N 2 0 222.336 0.850 20 0 BCADRP C[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)C1C[NH2+]C1 ZINC000848721032 588408415 /nfs/dbraw/zinc/40/84/15/588408415.db2.gz GNNFGMMPVRGVAD-GZMMTYOYSA-N 2 0 239.319 0.167 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)C2CC2)C1 ZINC000848722928 588409144 /nfs/dbraw/zinc/40/91/44/588409144.db2.gz UETYMPJSKJPFTM-VHSXEESVSA-N 2 0 246.376 0.423 20 0 BCADRP CCNC(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000848989233 588422539 /nfs/dbraw/zinc/42/25/39/588422539.db2.gz HRAUPNUVXPTRAM-UHFFFAOYSA-N 2 0 228.340 0.233 20 0 BCADRP C[C@H]1C[NH+](CCCNC(=[NH2+])N(C)C)C[C@H](C)O1 ZINC000848983611 588424418 /nfs/dbraw/zinc/42/44/18/588424418.db2.gz VWBNVMYNYKJCHE-QWRGUYRKSA-N 2 0 242.367 0.572 20 0 BCADRP COC[C@H](C)NC(=[NH2+])NC[C@@H](C)[NH+]1CCCC1 ZINC000848986540 588425592 /nfs/dbraw/zinc/42/55/92/588425592.db2.gz CYCYAPQVLHVEOA-WDEREUQCSA-N 2 0 242.367 0.620 20 0 BCADRP CNC(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000848986949 588425687 /nfs/dbraw/zinc/42/56/87/588425687.db2.gz BPSRWALHOWPIGC-UWVGGRQHSA-N 2 0 212.341 0.851 20 0 BCADRP CCNC(=[NH2+])NC[C@@H](C)[NH+](CC)CC ZINC000848986568 588425831 /nfs/dbraw/zinc/42/58/31/588425831.db2.gz GIKSCMALYDKQHL-SECBINFHSA-N 2 0 200.330 0.851 20 0 BCADRP CNC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000848986997 588425934 /nfs/dbraw/zinc/42/59/34/588425934.db2.gz DKZZIGSXPUYKTD-UWVGGRQHSA-N 2 0 212.341 0.993 20 0 BCADRP CC(C)[N@H+](C)CCCNC(=[NH2+])N1CCOCC1 ZINC000848987542 588426487 /nfs/dbraw/zinc/42/64/87/588426487.db2.gz DYNVGVZDXVHLJK-UHFFFAOYSA-N 2 0 242.367 0.573 20 0 BCADRP CNC(=[NH2+])NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000848998761 588429941 /nfs/dbraw/zinc/42/99/41/588429941.db2.gz SRBOMZWMJVCIKY-JTQLQIEISA-N 2 0 212.341 0.851 20 0 BCADRP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCC1)C1CC1 ZINC000848994977 588428659 /nfs/dbraw/zinc/42/86/59/588428659.db2.gz VCCJSVDJUGXBEH-JTQLQIEISA-N 2 0 210.325 0.557 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])N(C)C)C1 ZINC000848996212 588429207 /nfs/dbraw/zinc/42/92/07/588429207.db2.gz LSXVPWXYXLNGNC-JTQLQIEISA-N 2 0 212.341 0.803 20 0 BCADRP CNC(=[NH2+])NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000848998762 588430041 /nfs/dbraw/zinc/43/00/41/588430041.db2.gz SRBOMZWMJVCIKY-SNVBAGLBSA-N 2 0 212.341 0.851 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=[NH2+])NC2CCC2)C1 ZINC000849004613 588431843 /nfs/dbraw/zinc/43/18/43/588431843.db2.gz RMNZVZDTAHDZFD-JTQLQIEISA-N 2 0 224.352 0.995 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=[NH2+])N2CCC2)C1 ZINC000849004677 588432310 /nfs/dbraw/zinc/43/23/10/588432310.db2.gz VMVQOCHRUMHMNF-SNVBAGLBSA-N 2 0 210.325 0.558 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])NC(C)C ZINC000849012189 588435503 /nfs/dbraw/zinc/43/55/03/588435503.db2.gz QTCRVLKCDYCEAA-NSHDSACASA-N 2 0 244.383 0.866 20 0 BCADRP COCCNC(=[NH2+])NCC1(C)CC[NH+](C)CC1 ZINC000849016510 588436994 /nfs/dbraw/zinc/43/69/94/588436994.db2.gz LWOQEBUISIDJSO-UHFFFAOYSA-N 2 0 242.367 0.479 20 0 BCADRP CC[NH+](CC)CCOCCNC(=[NH2+])NC(C)C ZINC000849018123 588437891 /nfs/dbraw/zinc/43/78/91/588437891.db2.gz CGYWKTVCOOQOPB-UHFFFAOYSA-N 2 0 244.383 0.867 20 0 BCADRP CC[C@@H](CO)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000849020703 588438883 /nfs/dbraw/zinc/43/88/83/588438883.db2.gz YAKJIKXLXOKKQW-QWRGUYRKSA-N 2 0 242.367 0.356 20 0 BCADRP CCNC(=[NH2+])NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000849026759 588441121 /nfs/dbraw/zinc/44/11/21/588441121.db2.gz SGXWMRXUPYIEEP-UHFFFAOYSA-N 2 0 241.383 0.146 20 0 BCADRP [NH2+]=C(NC[C@H]1CCC[N@H+]1CCCO)NC1CC1 ZINC000849033915 588443776 /nfs/dbraw/zinc/44/37/76/588443776.db2.gz DYRDWVHCATYCFT-LLVKDONJSA-N 2 0 240.351 0.110 20 0 BCADRP CN(C)C(=[NH2+])NCC[N@@H+]1CCCC1(C)C ZINC000849039356 588446913 /nfs/dbraw/zinc/44/69/13/588446913.db2.gz UCTBNTRTRRACLK-UHFFFAOYSA-N 2 0 212.341 0.947 20 0 BCADRP C[C@H]1C[NH+]=C(NCc2ccc3c[nH+]cn3c2)N1 ZINC000849040012 588447173 /nfs/dbraw/zinc/44/71/73/588447173.db2.gz DYBNDDBMDODBBW-VIFPVBQESA-N 2 0 229.287 0.772 20 0 BCADRP C[N@@H+]1C[C@@H](CNC(N)=[NH2+])[C@H](c2ccccc2)C1 ZINC000849046238 588449924 /nfs/dbraw/zinc/44/99/24/588449924.db2.gz OUJPEPLLSDVDLC-NEPJUHHUSA-N 2 0 232.331 0.815 20 0 BCADRP CN1CCC[NH+]=C1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849048166 588451073 /nfs/dbraw/zinc/45/10/73/588451073.db2.gz FHJRCLZRCGOKPT-PHIMTYICSA-N 2 0 224.352 0.608 20 0 BCADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+][C@@H]2C=CCC2)C1 ZINC000849349523 588474464 /nfs/dbraw/zinc/47/44/64/588474464.db2.gz CBFWXIYVEBWFFN-VXGBXAGGSA-N 2 0 237.347 0.492 20 0 BCADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2C=CCC2)C1 ZINC000849349521 588474596 /nfs/dbraw/zinc/47/45/96/588474596.db2.gz CBFWXIYVEBWFFN-NWDGAFQWSA-N 2 0 237.347 0.492 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CCN(C)OC)[C@H](C)C1 ZINC000850480357 588550985 /nfs/dbraw/zinc/55/09/85/588550985.db2.gz QGXLQAALRPQFES-NEPJUHHUSA-N 2 0 229.368 0.800 20 0 BCADRP CO[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000851732270 588619409 /nfs/dbraw/zinc/61/94/09/588619409.db2.gz NFNFBJBVVWKHOP-WRWGMCAJSA-N 2 0 210.321 0.705 20 0 BCADRP CC1(C)OC[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000851732878 588619951 /nfs/dbraw/zinc/61/99/51/588619951.db2.gz ZHAJNHFCADTLPM-OUAUKWLOSA-N 2 0 226.320 0.289 20 0 BCADRP CN1CCC[C@@H]([N@@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000852743537 588698686 /nfs/dbraw/zinc/69/86/86/588698686.db2.gz DYJWCSKOXSNWJX-WDEREUQCSA-N 2 0 225.336 0.278 20 0 BCADRP O=C1CCC2=C(CC[N@H+](C[C@H]3CC[NH2+]C3)C2)N1 ZINC000852754158 588700718 /nfs/dbraw/zinc/70/07/18/588700718.db2.gz QPXZZFBGAKFPOF-JTQLQIEISA-N 2 0 235.331 0.466 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)NCC1CC[NH2+]CC1 ZINC000852793027 588702869 /nfs/dbraw/zinc/70/28/69/588702869.db2.gz NDCCLXKKBGJAIJ-UHFFFAOYSA-N 2 0 237.347 0.412 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000852798425 588702936 /nfs/dbraw/zinc/70/29/36/588702936.db2.gz JKHOLYNUTXGRSA-VQXHTEKXSA-N 2 0 227.352 0.713 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N[C@H]1CCC[NH2+]C1 ZINC000852792457 588703047 /nfs/dbraw/zinc/70/30/47/588703047.db2.gz WQKZMLFCLVBDQB-NSHDSACASA-N 2 0 223.320 0.164 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000852794174 588703150 /nfs/dbraw/zinc/70/31/50/588703150.db2.gz MFWIHHWKIHCXNB-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+]CCc1ccc(CNC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000852794779 588703169 /nfs/dbraw/zinc/70/31/69/588703169.db2.gz RXWXBWAZILGMMW-JOCQHMNTSA-N 2 0 247.342 0.541 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852794781 588703312 /nfs/dbraw/zinc/70/33/12/588703312.db2.gz RYGSBUMABSUTDI-GFCCVEGCSA-N 2 0 237.347 0.507 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C=C1CC[NH2+]CC1 ZINC000852796908 588703346 /nfs/dbraw/zinc/70/33/46/588703346.db2.gz JLWBCZYCTLQOIU-LBPRGKRZSA-N 2 0 239.363 0.786 20 0 BCADRP C[C@@H]1CN(C(=O)C=C2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000852797929 588703693 /nfs/dbraw/zinc/70/36/93/588703693.db2.gz CZLUNVCOVDVKOQ-PWSUYJOCSA-N 2 0 237.347 0.492 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N(C)CC(C)(C)[NH3+] ZINC000852842536 588705796 /nfs/dbraw/zinc/70/57/96/588705796.db2.gz XQWOVEVMHXPRTK-MRVPVSSYSA-N 2 0 213.325 0.323 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CC12CCCC2 ZINC000852825359 588705990 /nfs/dbraw/zinc/70/59/90/588705990.db2.gz OZCPCBMORMTXEJ-QWRGUYRKSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1[NH2+]CC12CCCC2 ZINC000852825323 588705992 /nfs/dbraw/zinc/70/59/92/588705992.db2.gz NXSHHPSDYRKWKJ-SECBINFHSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]C1CCN(C(=O)[C@@H]2[NH2+]CC23CCCC3)CC1 ZINC000852825489 588706058 /nfs/dbraw/zinc/70/60/58/588706058.db2.gz LCYUGRKJEYSPBQ-NSHDSACASA-N 2 0 237.347 0.468 20 0 BCADRP C[NH+]1CCC(NC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852854171 588708675 /nfs/dbraw/zinc/70/86/75/588708675.db2.gz DFNSSYIFBRKEQJ-UHFFFAOYSA-N 2 0 237.347 0.507 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000852859500 588708768 /nfs/dbraw/zinc/70/87/68/588708768.db2.gz VTJSOGKFXRAPGN-YDNLMGDJSA-N 2 0 223.320 0.077 20 0 BCADRP [NH3+]CCCCCCC(=O)N1CC2CC1(C[NH3+])C2 ZINC000852858776 588708877 /nfs/dbraw/zinc/70/88/77/588708877.db2.gz GZPOWMIUOOUVEC-UHFFFAOYSA-N 2 0 239.363 0.845 20 0 BCADRP C[N@H+](CCNC(=O)C=C1CC[NH2+]CC1)C1CC1 ZINC000852862422 588709099 /nfs/dbraw/zinc/70/90/99/588709099.db2.gz DJEJCBNTCNOEFD-UHFFFAOYSA-N 2 0 237.347 0.507 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000852863700 588709276 /nfs/dbraw/zinc/70/92/76/588709276.db2.gz QYHZYNMBHINLNG-JFGNBEQYSA-N 2 0 243.326 0.274 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C=C1CC[NH2+]CC1 ZINC000852863072 588709298 /nfs/dbraw/zinc/70/92/98/588709298.db2.gz PTHCFEDLCSGAQG-LLVKDONJSA-N 2 0 239.363 0.753 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000852864268 588709343 /nfs/dbraw/zinc/70/93/43/588709343.db2.gz QROOERNIMHCFPU-JQWIXIFHSA-N 2 0 243.326 0.289 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000852867887 588709465 /nfs/dbraw/zinc/70/94/65/588709465.db2.gz GHAYEPYXBOTKCL-KOLCDFICSA-N 2 0 231.315 0.178 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852874476 588709717 /nfs/dbraw/zinc/70/97/17/588709717.db2.gz MHOWZYQQFKSCSF-JQWIXIFHSA-N 2 0 237.347 0.492 20 0 BCADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000852874953 588710004 /nfs/dbraw/zinc/71/00/04/588710004.db2.gz XQRKFCVGNPQTJU-GFGDYIMDSA-N 2 0 237.347 0.595 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)C=C2CC[NH2+]CC2)[C@H]1C ZINC000852878095 588710295 /nfs/dbraw/zinc/71/02/95/588710295.db2.gz HSZUUIMIZSXEMK-QWRGUYRKSA-N 2 0 237.347 0.505 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852878128 588710574 /nfs/dbraw/zinc/71/05/74/588710574.db2.gz IOSQDNRSELKBAF-RYUDHWBXSA-N 2 0 237.347 0.682 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C=C1CC[NH2+]CC1 ZINC000852894730 588712098 /nfs/dbraw/zinc/71/20/98/588712098.db2.gz YDOOBNYNBVDSQT-VHSXEESVSA-N 2 0 225.336 0.538 20 0 BCADRP Cc1cncn1CC(=O)OCc1cncn1C ZINC000860575841 589106674 /nfs/dbraw/zinc/10/66/74/589106674.db2.gz IYMNXLUQFFYBKE-UHFFFAOYSA-N 2 0 234.259 0.668 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861555544 589168182 /nfs/dbraw/zinc/16/81/82/589168182.db2.gz PNZVYGZNMQUKHG-GHMZBOCLSA-N 2 0 244.383 0.705 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000861643120 589169683 /nfs/dbraw/zinc/16/96/83/589169683.db2.gz QJUUETISFWAQCX-LPEHRKFASA-N 2 0 228.340 0.245 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861639059 589172075 /nfs/dbraw/zinc/17/20/75/589172075.db2.gz PWXFLKBXTVGBHW-SNVBAGLBSA-N 2 0 230.356 0.363 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000861642591 589172577 /nfs/dbraw/zinc/17/25/77/589172577.db2.gz BPFABNFKCRKBBZ-ZJUUUORDSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000861646605 589172847 /nfs/dbraw/zinc/17/28/47/589172847.db2.gz WEQIBMMJCHIGLZ-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000861646602 589173027 /nfs/dbraw/zinc/17/30/27/589173027.db2.gz WEQIBMMJCHIGLZ-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP Cc1csc(C[NH2+]CCOCCC[NH3+])n1 ZINC000863484870 589293359 /nfs/dbraw/zinc/29/33/59/589293359.db2.gz OOFLAEXSSQYPDS-UHFFFAOYSA-N 2 0 229.349 0.907 20 0 BCADRP CON(C)C(=O)[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000863546162 589295837 /nfs/dbraw/zinc/29/58/37/589295837.db2.gz FAZCDOYDCOBNMB-YIZRAAEISA-N 2 0 217.313 0.110 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(C)nn1C ZINC000863544203 589297080 /nfs/dbraw/zinc/29/70/80/589297080.db2.gz NIPZLRAKKQKSGA-LLVKDONJSA-N 2 0 240.351 0.615 20 0 BCADRP CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)C2C[NH2+]C2)C1 ZINC000863542126 589297130 /nfs/dbraw/zinc/29/71/30/589297130.db2.gz ABSXGELTLXLIEO-CABZTGNLSA-N 2 0 238.331 0.836 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CCC12CCOCC2 ZINC000863544635 589297931 /nfs/dbraw/zinc/29/79/31/589297931.db2.gz ZUJJMYFKJTZDIL-LBPRGKRZSA-N 2 0 242.363 0.771 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC000863972439 589330558 /nfs/dbraw/zinc/33/05/58/589330558.db2.gz DWRRVIQHROLUEH-BJDJZHNGSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000864452149 589365054 /nfs/dbraw/zinc/36/50/54/589365054.db2.gz MQSXYEQTPMPFFD-RKDXNWHRSA-N 2 0 212.341 0.849 20 0 BCADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000864452146 589365322 /nfs/dbraw/zinc/36/53/22/589365322.db2.gz MQSXYEQTPMPFFD-BDAKNGLRSA-N 2 0 212.341 0.849 20 0 BCADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCCC[NH+](C)C ZINC000864452954 589365766 /nfs/dbraw/zinc/36/57/66/589365766.db2.gz QYVUMKIBYGBRQA-ZJUUUORDSA-N 2 0 212.341 0.851 20 0 BCADRP C[C@H]1C[C@H]1NC(=[NH2+])NCCNc1cc[nH+]cc1 ZINC000864455281 589366398 /nfs/dbraw/zinc/36/63/98/589366398.db2.gz LVHHTSUBTYEWMN-GXSJLCMTSA-N 2 0 233.319 0.438 20 0 BCADRP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C ZINC000864455450 589366698 /nfs/dbraw/zinc/36/66/98/589366698.db2.gz PYUDIWWGDSEIIV-FBIMIBRVSA-N 2 0 224.352 0.849 20 0 BCADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000864455745 589366925 /nfs/dbraw/zinc/36/69/25/589366925.db2.gz BUFNZDZJZUFPJY-KOLCDFICSA-N 2 0 224.352 0.851 20 0 BCADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000864462280 589369473 /nfs/dbraw/zinc/36/94/73/589369473.db2.gz LBMPQLMIDSSURE-KOLCDFICSA-N 2 0 222.336 0.771 20 0 BCADRP C[C@H]1C[C@@H]1NC(=[NH2+])NCC1([NH+](C)C)CCC1 ZINC000864463552 589370216 /nfs/dbraw/zinc/37/02/16/589370216.db2.gz IBKMVUYLYKDZLK-UWVGGRQHSA-N 2 0 224.352 0.993 20 0 BCADRP C[NH+](C)C[C@H]1CC[N@H+](CC[C@@H]2CCOC2=O)C1 ZINC000120594754 589440630 /nfs/dbraw/zinc/44/06/30/589440630.db2.gz VBPBPVGRASWCHZ-VXGBXAGGSA-N 2 0 240.347 0.823 20 0 BCADRP CC1(C)CC[NH2+]CCN1C[C@H]1CC[NH2+]C1 ZINC000866699072 589513108 /nfs/dbraw/zinc/51/31/08/589513108.db2.gz HSOYGMVWDWPOLN-NSHDSACASA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709391 589514127 /nfs/dbraw/zinc/51/41/27/589514127.db2.gz XEBJTYGBDYMSCV-CABZTGNLSA-N 2 0 227.352 0.557 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705962 589514294 /nfs/dbraw/zinc/51/42/94/589514294.db2.gz DCJLRJITVTYOOR-MFKMUULPSA-N 2 0 241.379 0.947 20 0 BCADRP [NH3+]CCC[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000866704877 589514301 /nfs/dbraw/zinc/51/43/01/589514301.db2.gz ZPEYYSIGUHWSMU-CYBMUJFWSA-N 2 0 242.363 0.995 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705963 589514597 /nfs/dbraw/zinc/51/45/97/589514597.db2.gz DCJLRJITVTYOOR-ZWNOBZJWSA-N 2 0 241.379 0.947 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000866704806 589514836 /nfs/dbraw/zinc/51/48/36/589514836.db2.gz YDTKBFBPPVYHSB-ZYHUDNBSSA-N 2 0 230.352 0.050 20 0 BCADRP C[C@@H](NC(=O)C[NH2+]C1CC1)C1CC[NH2+]CC1 ZINC000868006264 589544020 /nfs/dbraw/zinc/54/40/20/589544020.db2.gz LXZFUQYJJHPMIP-SECBINFHSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868012748 589544180 /nfs/dbraw/zinc/54/41/80/589544180.db2.gz UCHXOZNEZKOYQB-AEJSXWLSSA-N 2 0 227.352 0.474 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)C1CC1 ZINC000870936671 589696491 /nfs/dbraw/zinc/69/64/91/589696491.db2.gz APGXBPDWVCPVNQ-DCAQKATOSA-N 2 0 225.336 0.357 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000870914295 589696639 /nfs/dbraw/zinc/69/66/39/589696639.db2.gz MKDAQRDQMDEQJV-CYRBOEJBSA-N 2 0 249.358 0.324 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC000870913400 589696651 /nfs/dbraw/zinc/69/66/51/589696651.db2.gz UHPGUUYKIUHQBK-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)C[NH2+]1 ZINC000870913114 589696756 /nfs/dbraw/zinc/69/67/56/589696756.db2.gz QLBZGAMJKGFWJE-NNYUYHANSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC2([NH3+])CCC2)C1 ZINC000870913528 589696788 /nfs/dbraw/zinc/69/67/88/589696788.db2.gz WKFBOVIMIHANGU-YGOYTEALSA-N 2 0 223.320 0.111 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000870914299 589696989 /nfs/dbraw/zinc/69/69/89/589696989.db2.gz MKDAQRDQMDEQJV-YCGPCKTQSA-N 2 0 249.358 0.324 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[NH+](C)C ZINC000870921093 589697437 /nfs/dbraw/zinc/69/74/37/589697437.db2.gz LSWJDLNXASQXCD-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000870932138 589697522 /nfs/dbraw/zinc/69/75/22/589697522.db2.gz ABMLPMQIOKUUOK-AXFHLTTASA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000870930853 589697600 /nfs/dbraw/zinc/69/76/00/589697600.db2.gz DMSUBGLBPYXBAX-UXCLJVHYSA-N 2 0 223.320 0.064 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000870934346 589697928 /nfs/dbraw/zinc/69/79/28/589697928.db2.gz KZJGSYIYLYNLOL-IJLUTSLNSA-N 2 0 239.363 0.620 20 0 BCADRP O=C(CC[NH2+]CC1CC1)NCC1CC[NH2+]CC1 ZINC000870933304 589698160 /nfs/dbraw/zinc/69/81/60/589698160.db2.gz UDRUGUDHLSFQPC-UHFFFAOYSA-N 2 0 239.363 0.492 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000870933911 589698167 /nfs/dbraw/zinc/69/81/67/589698167.db2.gz ALZDMUTYQKMZIZ-IJLUTSLNSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000870934228 589698244 /nfs/dbraw/zinc/69/82/44/589698244.db2.gz HTVQGRICKHXPGR-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870935601 589698331 /nfs/dbraw/zinc/69/83/31/589698331.db2.gz ZOGVDGNNCGOJBZ-YZRBJQDESA-N 2 0 223.320 0.078 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)CC[NH2+]CC1CC1 ZINC000870936277 589698378 /nfs/dbraw/zinc/69/83/78/589698378.db2.gz FPTVWCIVNUKXNH-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)CC[NH2+]CC1CC1 ZINC000870936322 589698424 /nfs/dbraw/zinc/69/84/24/589698424.db2.gz GVHWIRRMNWCNQC-GFCCVEGCSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)CC[NH2+]CC1CC1 ZINC000870936276 589698593 /nfs/dbraw/zinc/69/85/93/589698593.db2.gz FPTVWCIVNUKXNH-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870937272 589698680 /nfs/dbraw/zinc/69/86/80/589698680.db2.gz YJCGCVNJIOIYKO-LPEHRKFASA-N 2 0 213.325 0.310 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870937170 589698729 /nfs/dbraw/zinc/69/87/29/589698729.db2.gz VQSPQMKLRSRABD-SRVKXCTJSA-N 2 0 241.379 0.994 20 0 BCADRP CN(C(=O)CC[NH2+]CC1CC1)[C@H]1CC[NH2+]C1 ZINC000870937255 589698757 /nfs/dbraw/zinc/69/87/57/589698757.db2.gz XOGFSVFVOIPKOB-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC000870936610 589698864 /nfs/dbraw/zinc/69/88/64/589698864.db2.gz NTVIPQUHFKKLSV-KKOKHZNYSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)CC[NH2+]CC1CC1 ZINC000870937908 589698878 /nfs/dbraw/zinc/69/88/78/589698878.db2.gz CJXHVKMQVCTQIZ-SECBINFHSA-N 2 0 213.325 0.087 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC000870936607 589699005 /nfs/dbraw/zinc/69/90/05/589699005.db2.gz NTVIPQUHFKKLSV-CDECOKDKSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000870939469 589699079 /nfs/dbraw/zinc/69/90/79/589699079.db2.gz UTASJSQOQPVAFQ-WISYIIOYSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870939140 589699147 /nfs/dbraw/zinc/69/91/47/589699147.db2.gz KWGVCORWGMTYQB-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870940286 589699161 /nfs/dbraw/zinc/69/91/61/589699161.db2.gz HPLBSICUCPSRKA-QCNOEVLYSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])CC1)C1CC1 ZINC000870939201 589699253 /nfs/dbraw/zinc/69/92/53/589699253.db2.gz MORQIULRTOSPQS-DCAQKATOSA-N 2 0 225.336 0.357 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000870940227 589699324 /nfs/dbraw/zinc/69/93/24/589699324.db2.gz IRTHFPABXJBEPM-DDHJBXDOSA-N 2 0 239.363 0.890 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870939024 589699354 /nfs/dbraw/zinc/69/93/54/589699354.db2.gz JJAUUHMMKVEVRK-IVZWLZJFSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000870941405 589699592 /nfs/dbraw/zinc/69/95/92/589699592.db2.gz XGSUPBCQKBXQDB-PWSUYJOCSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870943238 589699866 /nfs/dbraw/zinc/69/98/66/589699866.db2.gz HYPFVXFUIICCCW-SSSAOXCUSA-N 2 0 223.320 0.062 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870943033 589699898 /nfs/dbraw/zinc/69/98/98/589699898.db2.gz DRUBAIUJXKKCPJ-MMWGEVLESA-N 2 0 225.336 0.452 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C(F)F ZINC000870944177 589700012 /nfs/dbraw/zinc/70/00/12/589700012.db2.gz CGIIBLHEKHPBOL-GLLZPBPUSA-N 2 0 247.289 0.213 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870942507 589700028 /nfs/dbraw/zinc/70/00/28/589700028.db2.gz ONQBBBQGCRKBFD-GMTAPVOTSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870944859 589700081 /nfs/dbraw/zinc/70/00/81/589700081.db2.gz LSEZEXRFDXXNMO-UGCHFJIKSA-N 2 0 237.347 0.357 20 0 BCADRP O=C(CCC12CC(C1)C[NH2+]2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000870944241 589700103 /nfs/dbraw/zinc/70/01/03/589700103.db2.gz DBUSQHAKHIKUJN-BEVNXUHPSA-N 2 0 249.358 0.339 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CC[NH2+]CC1CC1 ZINC000870943712 589700106 /nfs/dbraw/zinc/70/01/06/589700106.db2.gz TVPCRDRFAKCLTG-ONGXEEELSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)CC[NH2+]CC2CC2)C1 ZINC000870945415 589700352 /nfs/dbraw/zinc/70/03/52/589700352.db2.gz TUNMEEJBHWQEGE-RYUDHWBXSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)CC[NH2+]CC2CC2)C1 ZINC000870945412 589700400 /nfs/dbraw/zinc/70/04/00/589700400.db2.gz TUNMEEJBHWQEGE-NEPJUHHUSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)CC[NH2+]CC1CC1 ZINC000870946078 589700445 /nfs/dbraw/zinc/70/04/45/589700445.db2.gz DEDMLENTKJYLLO-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870946963 589700586 /nfs/dbraw/zinc/70/05/86/589700586.db2.gz MMMFPABQLKEIDL-HBNTYKKESA-N 2 0 227.352 0.748 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)CC[NH2+]CC1CC1 ZINC000870946076 589700591 /nfs/dbraw/zinc/70/05/91/589700591.db2.gz DEDMLENTKJYLLO-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000870947917 589700739 /nfs/dbraw/zinc/70/07/39/589700739.db2.gz UVYSMCGUNJLYNY-NAKRPEOUSA-N 2 0 243.326 0.320 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H](C)[NH3+] ZINC000870965319 589701395 /nfs/dbraw/zinc/70/13/95/589701395.db2.gz NXCBIKBGZNLEQN-ZNSHCXBVSA-N 2 0 227.352 0.459 20 0 BCADRP [NH3+][C@@H](CC(=O)NC[C@@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000870964398 589701927 /nfs/dbraw/zinc/70/19/27/589701927.db2.gz BKRMLOANRPRKGF-UHTWSYAYSA-N 2 0 247.342 0.930 20 0 BCADRP [NH3+]Cc1cccc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000870965576 589702144 /nfs/dbraw/zinc/70/21/44/589702144.db2.gz RLSGWNRUUJDJFA-KLPPZKSPSA-N 2 0 233.315 0.612 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965591 589702228 /nfs/dbraw/zinc/70/22/28/589702228.db2.gz SEBATGMCARTUKJ-BBBLOLIVSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000870966008 589702271 /nfs/dbraw/zinc/70/22/71/589702271.db2.gz ZGPSJINYWSPBKZ-TXEJJXNPSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965437 589702296 /nfs/dbraw/zinc/70/22/96/589702296.db2.gz QERHELJTHHYDNP-SRRSOLGSSA-N 2 0 239.363 0.748 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870971318 589703355 /nfs/dbraw/zinc/70/33/55/589703355.db2.gz ZHNISZDMLMQSDC-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP CC1CC[NH+](CC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000870971110 589703367 /nfs/dbraw/zinc/70/33/67/589703367.db2.gz CODWPJQMPVDBOF-HAQNSBGRSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)C1 ZINC000870972599 589703717 /nfs/dbraw/zinc/70/37/17/589703717.db2.gz MXRRYFIVKVTEMD-MRBYEJRBSA-N 2 0 237.347 0.230 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000870972782 589703813 /nfs/dbraw/zinc/70/38/13/589703813.db2.gz VCRBLQKMASORFG-IJLUTSLNSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974758 589704069 /nfs/dbraw/zinc/70/40/69/589704069.db2.gz PNJGZNQEQBHPNP-WRWGMCAJSA-N 2 0 239.363 0.617 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973791 589704209 /nfs/dbraw/zinc/70/42/09/589704209.db2.gz FSZDQIIKBDWYHD-NGDQXYMTSA-N 2 0 239.363 0.617 20 0 BCADRP CC(C)([NH3+])CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870975175 589704317 /nfs/dbraw/zinc/70/43/17/589704317.db2.gz RYEIKMFPRDPUPL-JGPRNRPPSA-N 2 0 239.363 0.761 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)CC(C)(C)[NH3+])CC[C@@H]21 ZINC000870980763 589704394 /nfs/dbraw/zinc/70/43/94/589704394.db2.gz BPBOLITWLAFOQZ-QWRGUYRKSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870980846 589704432 /nfs/dbraw/zinc/70/44/32/589704432.db2.gz CZYYWVFPBZAHOE-AXFHLTTASA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870994190 589704761 /nfs/dbraw/zinc/70/47/61/589704761.db2.gz ORCYQCSBYXKMGS-ZWNOBZJWSA-N 2 0 241.379 0.805 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870980852 589704821 /nfs/dbraw/zinc/70/48/21/589704821.db2.gz CZYYWVFPBZAHOE-OUAUKWLOSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870980757 589704850 /nfs/dbraw/zinc/70/48/50/589704850.db2.gz BOIJITJJODSUFE-BJDJZHNGSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@@H](NC(=O)CCC[NH3+])C1CC[NH2+]CC1 ZINC000870983977 589705088 /nfs/dbraw/zinc/70/50/88/589705088.db2.gz FGFKNWIDENBGKR-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH2+]3)CC[C@@H]21 ZINC000870982763 589705324 /nfs/dbraw/zinc/70/53/24/589705324.db2.gz PEGXUAWKFUXPFX-UTUOFQBUSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@@H](NC(=O)[C@]1(F)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000870983790 589705571 /nfs/dbraw/zinc/70/55/71/589705571.db2.gz APPTWGVIMFDSHY-SKDRFNHKSA-N 2 0 243.326 0.192 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870987535 589707047 /nfs/dbraw/zinc/70/70/47/589707047.db2.gz LREQITFGVXFUGG-WDEREUQCSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870988189 589707225 /nfs/dbraw/zinc/70/72/25/589707225.db2.gz IBRGXLYQRIBZHN-ZWNOBZJWSA-N 2 0 241.379 0.947 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870989819 589707970 /nfs/dbraw/zinc/70/79/70/589707970.db2.gz PTYQCSGBXLZLJM-GXFFZTMASA-N 2 0 241.379 0.818 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])N(C)CCOC)C1 ZINC000871604148 589773938 /nfs/dbraw/zinc/77/39/38/589773938.db2.gz VWFKVNDUWDVPCY-NSHDSACASA-N 2 0 242.367 0.431 20 0 BCADRP C[NH2+]CCCN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872153005 589884668 /nfs/dbraw/zinc/88/46/68/589884668.db2.gz XUZUGBHQCLYEPA-BDAKNGLRSA-N 2 0 239.285 0.665 20 0 BCADRP [NH3+]CCN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872151924 589884731 /nfs/dbraw/zinc/88/47/31/589884731.db2.gz NMOPKTHVLQAZMX-RQJHMYQMSA-N 2 0 211.231 0.014 20 0 BCADRP C[NH+]1CCC(CNC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000123989134 589889127 /nfs/dbraw/zinc/88/91/27/589889127.db2.gz XIYSCFNZLPMDAQ-GFCCVEGCSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]CC1(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CCCC1 ZINC000872257952 589901041 /nfs/dbraw/zinc/90/10/41/589901041.db2.gz NHWHKGGSMNRYGI-NRUUGDAUSA-N 2 0 237.347 0.502 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000872258052 589901248 /nfs/dbraw/zinc/90/12/48/589901248.db2.gz ROKHLWSWGTZPJH-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872256569 589901339 /nfs/dbraw/zinc/90/13/39/589901339.db2.gz VSQKNVXLCBICNO-AXFHLTTASA-N 2 0 227.352 0.748 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872256647 589901356 /nfs/dbraw/zinc/90/13/56/589901356.db2.gz YHJSRKVHNSBMFG-UTUOFQBUSA-N 2 0 239.363 0.701 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872258055 589901689 /nfs/dbraw/zinc/90/16/89/589901689.db2.gz RPDOKKKSEIIFEA-WOPDTQHZSA-N 2 0 241.379 0.994 20 0 BCADRP CC[C@H](C(=O)N1CC[NH2+]CCC1(C)C)[NH+](C)C ZINC000872299772 589902841 /nfs/dbraw/zinc/90/28/41/589902841.db2.gz BHBXCFWVKHKLTH-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872288353 589906462 /nfs/dbraw/zinc/90/64/62/589906462.db2.gz LDQAPTFJRRAAGV-BBBLOLIVSA-N 2 0 213.325 0.357 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[NH2+]CCC1(C)C ZINC000872290352 589906842 /nfs/dbraw/zinc/90/68/42/589906842.db2.gz MSRSBOCJOBVIJS-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)CC1([NH3+])CC1 ZINC000872301809 589907929 /nfs/dbraw/zinc/90/79/29/589907929.db2.gz UOJBFZPQNBFZLA-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C[NH2+]1 ZINC000872309391 589908635 /nfs/dbraw/zinc/90/86/35/589908635.db2.gz VAUWMCXIPXDHCE-IIEKFROSSA-N 2 0 237.347 0.371 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C[NH2+]1 ZINC000872309392 589908800 /nfs/dbraw/zinc/90/88/00/589908800.db2.gz VAUWMCXIPXDHCE-UGCHFJIKSA-N 2 0 237.347 0.371 20 0 BCADRP C[NH+](C)C[C@@H]1CC[N@H+](CCC2OCCO2)C1 ZINC000124301207 589974055 /nfs/dbraw/zinc/97/40/55/589974055.db2.gz FTCNGBDPNBNHGB-NSHDSACASA-N 2 0 228.336 0.633 20 0 BCADRP FC(F)[C@H]1C[NH2+]CCN1CC12CC(C1)C[NH2+]2 ZINC000873210569 589994326 /nfs/dbraw/zinc/99/43/26/589994326.db2.gz KGHWJGOXOZGKRH-INWMGODYSA-N 2 0 231.290 0.277 20 0 BCADRP Nc1cnc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000873210205 589994965 /nfs/dbraw/zinc/99/49/65/589994965.db2.gz YUDRDMJKHCZIPW-JTQLQIEISA-N 2 0 235.335 0.620 20 0 BCADRP C(N1CC[C@@H]2C[NH2+]C[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000873210325 589995202 /nfs/dbraw/zinc/99/52/02/589995202.db2.gz CAAQJNKEBINKSY-UPOSSJBDSA-N 2 0 207.321 0.032 20 0 BCADRP Nc1cnc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000873211338 589996150 /nfs/dbraw/zinc/99/61/50/589996150.db2.gz YVLMVCSOEMZFSM-UHFFFAOYSA-N 2 0 247.346 0.634 20 0 BCADRP C[C@]1(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)CC[NH2+]C1 ZINC000873217347 589998097 /nfs/dbraw/zinc/99/80/97/589998097.db2.gz JXCQXKMWVOLZKX-GAURVVSWSA-N 2 0 236.359 0.999 20 0 BCADRP C[C@@H]([NH2+]C[C@]1(C)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000873221025 589999532 /nfs/dbraw/zinc/99/95/32/589999532.db2.gz XMJOXMPPYQRPJR-DGCLKSJQSA-N 3 0 225.380 0.964 20 0 BCADRP C[C@@H]([NH2+][C@@H]1CNC[C@H](C)C1)C1CC[NH2+]CC1 ZINC000873221023 589999793 /nfs/dbraw/zinc/99/97/93/589999793.db2.gz XEWXGMHXMPNWDI-WZRBSPASSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@@]1(C[NH+]2CCC(CO)(CO)CC2)CC[NH2+]C1 ZINC000873228020 590000775 /nfs/dbraw/zinc/00/07/75/590000775.db2.gz PZTSHEBAHBKXJL-GFCCVEGCSA-N 2 0 242.363 0.053 20 0 BCADRP CC(C)[C@H](C[NH3+])C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873229316 590000818 /nfs/dbraw/zinc/00/08/18/590000818.db2.gz RSXVMOKTQBGVES-FRRDWIJNSA-N 3 0 225.380 0.759 20 0 BCADRP C[C@H]1C[C@H](C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[NH2+]1 ZINC000873228995 590001180 /nfs/dbraw/zinc/00/11/80/590001180.db2.gz NAIURGVKBYRUCZ-RFQIPJPRSA-N 3 0 237.391 0.916 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873248428 590004843 /nfs/dbraw/zinc/00/48/43/590004843.db2.gz ACJQWYPENUOAIO-YFKTTZPYSA-N 3 0 211.353 0.831 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000873255042 590010079 /nfs/dbraw/zinc/01/00/79/590010079.db2.gz DOJLAMDPNRNJCK-KKOKHZNYSA-N 3 0 211.353 0.844 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000873255026 590010379 /nfs/dbraw/zinc/01/03/79/590010379.db2.gz DDFYVJLFUDYKAL-XYJRDEOASA-N 2 0 239.363 0.080 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000873255025 590010439 /nfs/dbraw/zinc/01/04/39/590010439.db2.gz DDFYVJLFUDYKAL-OJAKKHQRSA-N 2 0 239.363 0.080 20 0 BCADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CN1C1CC1 ZINC000873255696 590011161 /nfs/dbraw/zinc/01/11/61/590011161.db2.gz IHOWCSVJMMMFAC-BJDJZHNGSA-N 2 0 223.364 0.939 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000873257669 590012375 /nfs/dbraw/zinc/01/23/75/590012375.db2.gz WFONOBXHRFNDRL-SYLRKERUSA-N 3 0 223.364 0.701 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccnn1C ZINC000873259142 590013535 /nfs/dbraw/zinc/01/35/35/590013535.db2.gz ZYNCLBCYHIYMQF-GUBZILKMSA-N 2 0 208.309 0.808 20 0 BCADRP C[C@@H]([NH2+][C@H]1CNCC[C@H]1C)C1CC[NH2+]CC1 ZINC000873270386 590016102 /nfs/dbraw/zinc/01/61/02/590016102.db2.gz RVEKBRDWAVUCFY-WZRBSPASSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)C1C[NH2+]C1 ZINC000873270913 590016275 /nfs/dbraw/zinc/01/62/75/590016275.db2.gz CEWNCIHQMXRUKR-UWVGGRQHSA-N 3 0 211.353 0.572 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccnn1C ZINC000873274182 590017019 /nfs/dbraw/zinc/01/70/19/590017019.db2.gz BJXNGJDXCCDODV-MNOVXSKESA-N 2 0 240.351 0.825 20 0 BCADRP C[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC000873835358 590073938 /nfs/dbraw/zinc/07/39/38/590073938.db2.gz OAQWCAMPAHTQKB-UHFFFAOYSA-N 2 0 225.336 0.293 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC000874102300 590091485 /nfs/dbraw/zinc/09/14/85/590091485.db2.gz RCPKFOWIKIABHZ-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)C1CC1 ZINC000874325803 590103493 /nfs/dbraw/zinc/10/34/93/590103493.db2.gz DGPKRDCABDUINB-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H](C)[NH+](C)C)C(C)C ZINC000874470243 590114318 /nfs/dbraw/zinc/11/43/18/590114318.db2.gz HIZDCXVHIXJZQN-LLVKDONJSA-N 2 0 229.368 0.783 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C[NH+]1CCCC1 ZINC000874471000 590114882 /nfs/dbraw/zinc/11/48/82/590114882.db2.gz SWUUUXPJORZIKI-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000876501942 590203383 /nfs/dbraw/zinc/20/33/83/590203383.db2.gz SAYUGQGNEAJWEM-NXEZZACHSA-N 2 0 225.336 0.310 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000876501945 590203408 /nfs/dbraw/zinc/20/34/08/590203408.db2.gz SAYUGQGNEAJWEM-ZJUUUORDSA-N 2 0 225.336 0.310 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000876503124 590203733 /nfs/dbraw/zinc/20/37/33/590203733.db2.gz ZNNXOPOTYGFLIS-ZJUUUORDSA-N 2 0 225.336 0.228 20 0 BCADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCC[NH2+]CC1 ZINC000876506676 590204697 /nfs/dbraw/zinc/20/46/97/590204697.db2.gz XMXDPGJHBPPYQV-ITKZLYELSA-N 2 0 237.347 0.364 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC(C[NH3+])CC2)C1(F)F ZINC000876507869 590205138 /nfs/dbraw/zinc/20/51/38/590205138.db2.gz FNRJTSDPKDZRQP-RKDXNWHRSA-N 2 0 247.289 0.024 20 0 BCADRP CC[NH2+]CCCNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876510821 590205483 /nfs/dbraw/zinc/20/54/83/590205483.db2.gz XLWKALYAHCSDOS-DGMVEKRQSA-N 2 0 239.363 0.658 20 0 BCADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000876513874 590205907 /nfs/dbraw/zinc/20/59/07/590205907.db2.gz JWCNLKBLBLGBRY-NSHDSACASA-N 2 0 239.363 0.526 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH3+])C2)C1(F)F ZINC000876513738 590206099 /nfs/dbraw/zinc/20/60/99/590206099.db2.gz HYAVXPNWGOGKRO-DJLDLDEBSA-N 2 0 247.289 0.024 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876515775 590206298 /nfs/dbraw/zinc/20/62/98/590206298.db2.gz XKYGPDCEGWNOBM-OPRDCNLKSA-N 2 0 225.336 0.180 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000876517097 590206694 /nfs/dbraw/zinc/20/66/94/590206694.db2.gz IYUFERXSWJTPKW-UMNHJUIQSA-N 2 0 223.320 0.078 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876519346 590206824 /nfs/dbraw/zinc/20/68/24/590206824.db2.gz WQCNAXNOROIWMI-XHNCKOQMSA-N 2 0 213.325 0.213 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000876518253 590206981 /nfs/dbraw/zinc/20/69/81/590206981.db2.gz OIBCKDURFZOHJV-GKBWCTFZSA-N 2 0 237.347 0.205 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000876521932 590207393 /nfs/dbraw/zinc/20/73/93/590207393.db2.gz BVXOCUHEJUAQLE-ZJUUUORDSA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)(C[NH3+])NC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876523771 590207861 /nfs/dbraw/zinc/20/78/61/590207861.db2.gz DDHUMQPXAYRAAH-OMMCCPJFSA-N 2 0 225.336 0.396 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000876526300 590208573 /nfs/dbraw/zinc/20/85/73/590208573.db2.gz WHUCRNWFSBIBJS-GMTAPVOTSA-N 2 0 239.363 0.476 20 0 BCADRP CN(C(=O)/C=C\[C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000876528637 590208851 /nfs/dbraw/zinc/20/88/51/590208851.db2.gz UAHMIFDYOCALHH-KBIXYVOKSA-N 2 0 237.347 0.363 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000876526800 590209121 /nfs/dbraw/zinc/20/91/21/590209121.db2.gz GPQTWGCBDMGHBJ-DCAQKATOSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000876530370 590209552 /nfs/dbraw/zinc/20/95/52/590209552.db2.gz MTSSBXQYLCCHEJ-ZRUFSTJUSA-N 2 0 243.326 0.143 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876528941 590210022 /nfs/dbraw/zinc/21/00/22/590210022.db2.gz BRYWHANRTXOFDI-UWVGGRQHSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876531572 590210231 /nfs/dbraw/zinc/21/02/31/590210231.db2.gz JONXWIZLHABMMY-VGMNWLOBSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)[C@H]1CC[C@H]([NH3+])CC1)C1CC1 ZINC000876531018 590210316 /nfs/dbraw/zinc/21/03/16/590210316.db2.gz XWILFHPASBSDCW-GAFUQQFSSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC[NH2+]1 ZINC000876531512 590210369 /nfs/dbraw/zinc/21/03/69/590210369.db2.gz IAMYIYCZRCWGOV-WZRBSPASSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000876532017 590210507 /nfs/dbraw/zinc/21/05/07/590210507.db2.gz ANXMEAFKNLQUKY-NHCYSSNCSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000876534673 590210816 /nfs/dbraw/zinc/21/08/16/590210816.db2.gz FPWAABDUCHDYEE-NQBHXWOUSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC[C@H]1[NH3+] ZINC000876533935 590210940 /nfs/dbraw/zinc/21/09/40/590210940.db2.gz XCYCJYNSVULPPQ-LMLFDSFASA-N 2 0 239.363 0.556 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876535345 590211135 /nfs/dbraw/zinc/21/11/35/590211135.db2.gz NJGOYYFHLUWQOH-KWBADKCTSA-N 2 0 241.379 0.849 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876538554 590211631 /nfs/dbraw/zinc/21/16/31/590211631.db2.gz KLRNPOOSXPITBV-SFYZADRCSA-N 2 0 213.325 0.213 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC000876537156 590211909 /nfs/dbraw/zinc/21/19/09/590211909.db2.gz LFFHEPVZLUNIST-LOWVWBTDSA-N 2 0 237.347 0.372 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000876539953 590211971 /nfs/dbraw/zinc/21/19/71/590211971.db2.gz CEZFNKPRGPFLFR-WHXUTIOJSA-N 2 0 227.352 0.713 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876539800 590212368 /nfs/dbraw/zinc/21/23/68/590212368.db2.gz BUQYLAGVEUFSOO-GARJFASQSA-N 2 0 243.326 0.144 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876707128 590232251 /nfs/dbraw/zinc/23/22/51/590232251.db2.gz UCDBYNIQLGSGFM-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876707296 590232390 /nfs/dbraw/zinc/23/23/90/590232390.db2.gz AODAQJZPLNAOPN-NXEZZACHSA-N 2 0 231.315 0.002 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000876712756 590232995 /nfs/dbraw/zinc/23/29/95/590232995.db2.gz JJRPHXKQGXVDPK-WDEREUQCSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876726197 590233348 /nfs/dbraw/zinc/23/33/48/590233348.db2.gz VSHMPTHDEXMYRG-MNOVXSKESA-N 2 0 245.342 0.392 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876726198 590233459 /nfs/dbraw/zinc/23/34/59/590233459.db2.gz VSHMPTHDEXMYRG-QWRGUYRKSA-N 2 0 245.342 0.392 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876732663 590234576 /nfs/dbraw/zinc/23/45/76/590234576.db2.gz CGNIGQKYXLSANW-AXFHLTTASA-N 2 0 243.326 0.144 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876732664 590234678 /nfs/dbraw/zinc/23/46/78/590234678.db2.gz CGNIGQKYXLSANW-GMTAPVOTSA-N 2 0 243.326 0.144 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876738349 590235472 /nfs/dbraw/zinc/23/54/72/590235472.db2.gz BGDGNCDPFPIZRB-GMTAPVOTSA-N 2 0 245.342 0.390 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876750524 590238231 /nfs/dbraw/zinc/23/82/31/590238231.db2.gz WFQUVVRKDIKVHO-QWRGUYRKSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876786451 590240825 /nfs/dbraw/zinc/24/08/25/590240825.db2.gz HZPGHQRXHKDITE-KWKBKKAHSA-N 2 0 225.336 0.253 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876796786 590242704 /nfs/dbraw/zinc/24/27/04/590242704.db2.gz NQKSWFVCTBVTAX-HLTSFMKQSA-N 2 0 213.325 0.213 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000876808762 590244919 /nfs/dbraw/zinc/24/49/19/590244919.db2.gz AQXPFICSAVLSGQ-WDEREUQCSA-N 2 0 237.347 0.396 20 0 BCADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)NCC1=CC[NH2+]CC1 ZINC000876810685 590245557 /nfs/dbraw/zinc/24/55/57/590245557.db2.gz YSIPYVDDHGWVAC-AAOUONPWSA-N 2 0 249.358 0.578 20 0 BCADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000876826345 590246228 /nfs/dbraw/zinc/24/62/28/590246228.db2.gz PMCRLHIANDCWCB-IEVRTODYSA-N 2 0 237.347 0.410 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC000876827706 590246716 /nfs/dbraw/zinc/24/67/16/590246716.db2.gz SFFYFLAOQXVDNE-NXEZZACHSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876831642 590247641 /nfs/dbraw/zinc/24/76/41/590247641.db2.gz JKLPMSPUXNWKAY-VLEAKVRGSA-N 2 0 239.363 0.617 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)CC[NH2+]1 ZINC000876834036 590247862 /nfs/dbraw/zinc/24/78/62/590247862.db2.gz LMDHYPLDMSSGQE-UMNHJUIQSA-N 2 0 225.336 0.385 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876836529 590248345 /nfs/dbraw/zinc/24/83/45/590248345.db2.gz BEDLPYMFLZEXFB-UXFRKABBSA-N 2 0 239.363 0.656 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876838642 590248397 /nfs/dbraw/zinc/24/83/97/590248397.db2.gz SQOGEDUMFWZDGO-ZRUFSTJUSA-N 2 0 237.347 0.038 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000876843737 590248826 /nfs/dbraw/zinc/24/88/26/590248826.db2.gz UGHYFLKVNKPULO-DGCLKSJQSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876861325 590248999 /nfs/dbraw/zinc/24/89/99/590248999.db2.gz WOOIUUAYMSIFEC-RBXMUDONSA-N 2 0 213.325 0.212 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000876850828 590249594 /nfs/dbraw/zinc/24/95/94/590249594.db2.gz CKDLMVNTGDBXNS-GXIIKTRPSA-N 2 0 237.347 0.346 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876858015 590249768 /nfs/dbraw/zinc/24/97/68/590249768.db2.gz NFJFNWJRKQAFBK-BYAJROORSA-N 2 0 239.363 0.786 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876857947 590249850 /nfs/dbraw/zinc/24/98/50/590249850.db2.gz LCVVAOYKBJEKGY-KXUCPTDWSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876857951 590249863 /nfs/dbraw/zinc/24/98/63/590249863.db2.gz LCVVAOYKBJEKGY-OPRDCNLKSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCC[NH2+]1 ZINC000876856284 590250215 /nfs/dbraw/zinc/25/02/15/590250215.db2.gz DSWBQUCXZAMREG-WZRBSPASSA-N 2 0 237.347 0.339 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000876861237 590250509 /nfs/dbraw/zinc/25/05/09/590250509.db2.gz UNZRDUJGKSICAL-CCKBRIGJSA-N 2 0 225.336 0.250 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876864985 590250906 /nfs/dbraw/zinc/25/09/06/590250906.db2.gz XMYBZARYZTVOBE-MXFLAHGMSA-N 2 0 225.336 0.396 20 0 BCADRP CN(C(=O)/C=C/[C@H]1CCC[NH2+]C1)C1CC([NH3+])C1 ZINC000876862885 590251117 /nfs/dbraw/zinc/25/11/17/590251117.db2.gz WUESWBICKXKJGQ-AEEGQBCJSA-N 2 0 237.347 0.490 20 0 BCADRP CN(C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)C1(C[NH3+])CCC1 ZINC000876866414 590251475 /nfs/dbraw/zinc/25/14/75/590251475.db2.gz FNNXKUVHXDGOCY-VHSXEESVSA-N 2 0 239.363 0.700 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000876871933 590251812 /nfs/dbraw/zinc/25/18/12/590251812.db2.gz OGALAOGCWQHVCE-AEJSXWLSSA-N 2 0 239.363 0.617 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876871957 590251848 /nfs/dbraw/zinc/25/18/48/590251848.db2.gz OUEGHHULJCJUTH-UTUOFQBUSA-N 2 0 239.363 0.570 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000876871982 590251867 /nfs/dbraw/zinc/25/18/67/590251867.db2.gz PWGDCOYMNDYYKC-LLVKDONJSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876915752 590256297 /nfs/dbraw/zinc/25/62/97/590256297.db2.gz ALYOJSFNYOWTRH-GMTAPVOTSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876926770 590257742 /nfs/dbraw/zinc/25/77/42/590257742.db2.gz FZHDHFULEPPNNM-MGCOHNPYSA-N 2 0 227.352 0.748 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000876924691 590257821 /nfs/dbraw/zinc/25/78/21/590257821.db2.gz QDCQJHCWXFVOPG-AAEUAGOBSA-N 2 0 235.331 0.388 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876926961 590257872 /nfs/dbraw/zinc/25/78/72/590257872.db2.gz MNDOUNYCUITNSP-BQBZGAKWSA-N 2 0 235.278 0.070 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000876927549 590258236 /nfs/dbraw/zinc/25/82/36/590258236.db2.gz FPNZXBRNDVETDY-ZNSHCXBVSA-N 2 0 227.352 0.556 20 0 BCADRP [NH3+]CCCCCCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000876938170 590258612 /nfs/dbraw/zinc/25/86/12/590258612.db2.gz SRCNKAJLOOGBKN-NSHDSACASA-N 2 0 225.336 0.669 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCCCCCC[NH3+] ZINC000876938264 590258973 /nfs/dbraw/zinc/25/89/73/590258973.db2.gz XEGBOODHEIWMKL-WDEREUQCSA-N 2 0 241.379 0.995 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000876935314 590258993 /nfs/dbraw/zinc/25/89/93/590258993.db2.gz RMLOAEHXDMGGBV-KIENENRBSA-N 2 0 239.363 0.761 20 0 BCADRP CC1(C)[C@H](C(=O)NCCC2(C[NH3+])CC2)C[C@@H]1[NH3+] ZINC000876948986 590259921 /nfs/dbraw/zinc/25/99/21/590259921.db2.gz YFRZUUGRFDGWTR-UWVGGRQHSA-N 2 0 239.363 0.605 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC000876958283 590261141 /nfs/dbraw/zinc/26/11/41/590261141.db2.gz XTSJWZUTQDMBSB-XIJCSBCJSA-N 2 0 239.363 0.594 20 0 BCADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)NCC12CC(C1)C[NH2+]2 ZINC000876976177 590263442 /nfs/dbraw/zinc/26/34/42/590263442.db2.gz IZGYIHAPNDSPPM-GPAGNBSZSA-N 2 0 249.358 0.410 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000876974715 590263496 /nfs/dbraw/zinc/26/34/96/590263496.db2.gz QSKRGXQHBDZXOC-LIVJGEBJSA-N 2 0 237.347 0.228 20 0 BCADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCC12CC(C1)C[NH2+]2 ZINC000876976179 590263717 /nfs/dbraw/zinc/26/37/17/590263717.db2.gz IZGYIHAPNDSPPM-WUXXMHMDSA-N 2 0 249.358 0.410 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876976928 590263884 /nfs/dbraw/zinc/26/38/84/590263884.db2.gz PNBJCHPPEBJOMX-MXWKQRLJSA-N 2 0 241.379 0.849 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876978685 590264270 /nfs/dbraw/zinc/26/42/70/590264270.db2.gz STQHZIZINFWGSL-FOGDFJRCSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@]1(NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC[NH2+]C1 ZINC000876981243 590264851 /nfs/dbraw/zinc/26/48/51/590264851.db2.gz SBZZRDCRCASQSJ-JFGNBEQYSA-N 2 0 225.336 0.372 20 0 BCADRP CC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000876996811 590266896 /nfs/dbraw/zinc/26/68/96/590266896.db2.gz FBVZUUPMAMXKGU-JTQLQIEISA-N 2 0 213.325 0.052 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@]1(F)CC[NH2+]C1 ZINC000877002456 590268144 /nfs/dbraw/zinc/26/81/44/590268144.db2.gz VHIFVHRNEYSHBZ-MWLCHTKSSA-N 2 0 241.310 0.089 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000877021254 590270039 /nfs/dbraw/zinc/27/00/39/590270039.db2.gz DCDOYVPKSSAAKQ-DVVUODLYSA-N 2 0 225.336 0.384 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000877023336 590270446 /nfs/dbraw/zinc/27/04/46/590270446.db2.gz NRMCPSWHSJREKW-MAUMQABQSA-N 2 0 247.289 0.083 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000877023587 590270674 /nfs/dbraw/zinc/27/06/74/590270674.db2.gz WVYIOGYNOJYKIM-YTWAJWBKSA-N 2 0 239.363 0.617 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C[NH2+]1 ZINC000877045708 590274100 /nfs/dbraw/zinc/27/41/00/590274100.db2.gz FKJZUDQFTSUKOJ-WISYIIOYSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000877094705 590281321 /nfs/dbraw/zinc/28/13/21/590281321.db2.gz BNQCMSHUCXVYEL-QCNOEVLYSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877095607 590281772 /nfs/dbraw/zinc/28/17/72/590281772.db2.gz MZNWVVVTUBATTQ-GWCFXTLKSA-N 2 0 247.342 0.507 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877095611 590282182 /nfs/dbraw/zinc/28/21/82/590282182.db2.gz MZNWVVVTUBATTQ-MFKMUULPSA-N 2 0 247.342 0.507 20 0 BCADRP CC[C@]1(C(=O)N(C)C[C@@H](C)[NH3+])CCC[NH2+]1 ZINC000877103478 590283545 /nfs/dbraw/zinc/28/35/45/590283545.db2.gz VGCPADVWVPEYSY-MWLCHTKSSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000877102466 590283854 /nfs/dbraw/zinc/28/38/54/590283854.db2.gz ISZPPXCGKJLMHR-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000877103649 590284299 /nfs/dbraw/zinc/28/42/99/590284299.db2.gz XGXKHLNPACYIEZ-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000877104088 590284307 /nfs/dbraw/zinc/28/43/07/590284307.db2.gz BGXMIHUZVKKRCM-JBLDHEPKSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000877104075 590284367 /nfs/dbraw/zinc/28/43/67/590284367.db2.gz BBRINGOJLPKNPW-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)C[C@H](C)[NH3+] ZINC000877103645 590284376 /nfs/dbraw/zinc/28/43/76/590284376.db2.gz XCSFCZPOAAGHLI-VGMNWLOBSA-N 2 0 201.314 0.165 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000877105707 590284814 /nfs/dbraw/zinc/28/48/14/590284814.db2.gz LVHQIODQRZAOJW-JTQLQIEISA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)c1ccccc1CC[NH3+] ZINC000877105720 590285020 /nfs/dbraw/zinc/28/50/20/590285020.db2.gz RONNEKWEABJYSD-SNVBAGLBSA-N 2 0 235.331 0.607 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000877106108 590285082 /nfs/dbraw/zinc/28/50/82/590285082.db2.gz QKCJSPTZHLWIDD-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)N(C)C[C@H](C)[NH3+] ZINC000877106287 590285384 /nfs/dbraw/zinc/28/53/84/590285384.db2.gz WOVUNPMFIIQHFX-NSHDSACASA-N 2 0 249.358 0.868 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877107412 590285658 /nfs/dbraw/zinc/28/56/58/590285658.db2.gz FDFSIRZEKCXFCA-UMNHJUIQSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000877107736 590285856 /nfs/dbraw/zinc/28/58/56/590285856.db2.gz KUYDEDQTFSHUHE-GRZMOONWSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000877107735 590286045 /nfs/dbraw/zinc/28/60/45/590286045.db2.gz KUYDEDQTFSHUHE-BMQDGWLCSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000877108741 590286528 /nfs/dbraw/zinc/28/65/28/590286528.db2.gz WGPSVCHVPPFBJD-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@H]([NH3+])C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877134857 590290947 /nfs/dbraw/zinc/29/09/47/590290947.db2.gz ZSBWIVXDMDONKY-BKDNQFJXSA-N 2 0 219.288 0.787 20 0 BCADRP CC1(C)CC[C@@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)[NH2+]C1 ZINC000877151938 590293030 /nfs/dbraw/zinc/29/30/30/590293030.db2.gz VVVYRMLZCPSWAM-DCAQKATOSA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)CC[C@@H](CNC(=O)CC2([NH3+])CC2)[NH2+]C1 ZINC000877155519 590293137 /nfs/dbraw/zinc/29/31/37/590293137.db2.gz URAOJORPJAFSON-JTQLQIEISA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877157283 590293184 /nfs/dbraw/zinc/29/31/84/590293184.db2.gz BYSNISYRGVLSMA-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)(C[NH3+])C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877158832 590293809 /nfs/dbraw/zinc/29/38/09/590293809.db2.gz ZCCODWOOEYVKQO-SNVBAGLBSA-N 2 0 241.379 0.866 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877158571 590294139 /nfs/dbraw/zinc/29/41/39/590294139.db2.gz UQDIZZURHBKXTQ-JTQLQIEISA-N 2 0 227.352 0.490 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877169851 590295766 /nfs/dbraw/zinc/29/57/66/590295766.db2.gz HNVOONUGPVRURJ-INTQDDNPSA-N 2 0 223.320 0.090 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877172600 590296162 /nfs/dbraw/zinc/29/61/62/590296162.db2.gz URJMEOIVWRRGRX-LMLFDSFASA-N 2 0 237.347 0.323 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000877176236 590297281 /nfs/dbraw/zinc/29/72/81/590297281.db2.gz NOYNCVUGURSGGP-CIUDSAMLSA-N 2 0 211.309 0.075 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187758 590298610 /nfs/dbraw/zinc/29/86/10/590298610.db2.gz GONQNOSCXXYEOG-CBZQXFMTSA-N 2 0 237.347 0.609 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000877184124 590298743 /nfs/dbraw/zinc/29/87/43/590298743.db2.gz JPIMAWHSGVYITI-LTWNSYFBSA-N 2 0 223.320 0.206 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877188441 590298920 /nfs/dbraw/zinc/29/89/20/590298920.db2.gz CILFLEJGNNXKBH-UHFFFAOYSA-N 2 0 239.363 0.809 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877192273 590299098 /nfs/dbraw/zinc/29/90/98/590299098.db2.gz JWFVMYLLZPZAQQ-YUCVTWSNSA-N 2 0 211.309 0.206 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)C[NH2+]CC1CC1 ZINC000877192867 590299186 /nfs/dbraw/zinc/29/91/86/590299186.db2.gz RUZABSALNVFOPN-UHFFFAOYSA-N 2 0 237.347 0.468 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877192314 590299246 /nfs/dbraw/zinc/29/92/46/590299246.db2.gz LIOGFUUIBPXOPS-UHFFFAOYSA-N 2 0 239.363 0.986 20 0 BCADRP CC(C)[NH+]1CCC(CCNC(=O)C[NH3+])CC1 ZINC000877200121 590300475 /nfs/dbraw/zinc/30/04/75/590300475.db2.gz FWTNQYMEJFZAMA-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+]CC1(NC(=O)[C@@]2(F)CC[NH2+]C2)CCCCC1 ZINC000877205945 590301224 /nfs/dbraw/zinc/30/12/24/590301224.db2.gz YZHTZJPVMWMEML-GFCCVEGCSA-N 2 0 243.326 0.466 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877243137 590302573 /nfs/dbraw/zinc/30/25/73/590302573.db2.gz GLQASTHHQLWAQM-CDECOKDKSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+]CCc1ccccc1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242560 590302615 /nfs/dbraw/zinc/30/26/15/590302615.db2.gz SSRGRIGEJRDVBQ-KLPPZKSPSA-N 2 0 247.342 0.655 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877243028 590302692 /nfs/dbraw/zinc/30/26/92/590302692.db2.gz KTZXTHSRUFOCEY-OUAUKWLOSA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)[NH+](CC)CC ZINC000877244057 590302978 /nfs/dbraw/zinc/30/29/78/590302978.db2.gz UDHCQBULIIDIAD-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)[NH+](CC)CC ZINC000877244055 590303193 /nfs/dbraw/zinc/30/31/93/590303193.db2.gz UDHCQBULIIDIAD-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000877244751 590303281 /nfs/dbraw/zinc/30/32/81/590303281.db2.gz NCRLQXRAPDSMAT-DCAQKATOSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000877246519 590303536 /nfs/dbraw/zinc/30/35/36/590303536.db2.gz WZKOQEWEEICXLN-SYEHKZFSSA-N 2 0 249.358 0.681 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000877246352 590303919 /nfs/dbraw/zinc/30/39/19/590303919.db2.gz FCWKXMCLMYDMMR-JSBBFPJPSA-N 2 0 237.347 0.371 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3CCC[NH2+]3)CC[C@H]21 ZINC000877250323 590304005 /nfs/dbraw/zinc/30/40/05/590304005.db2.gz PEGXUAWKFUXPFX-QJPTWQEYSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877271833 590305478 /nfs/dbraw/zinc/30/54/78/590305478.db2.gz FHJNUQBATIZHBP-IVZWLZJFSA-N 2 0 211.309 0.077 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877272293 590305577 /nfs/dbraw/zinc/30/55/77/590305577.db2.gz HIVBKTAJHCAEEU-VWYCJHECSA-N 2 0 225.336 0.337 20 0 BCADRP [NH3+][C@H](CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)C1CC1 ZINC000877279977 590306290 /nfs/dbraw/zinc/30/62/90/590306290.db2.gz AUCPZBWWNAPTJF-GRYCIOLGSA-N 2 0 237.347 0.467 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877285034 590306595 /nfs/dbraw/zinc/30/65/95/590306595.db2.gz XSLFGAMKMGGBAM-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877282441 590306745 /nfs/dbraw/zinc/30/67/45/590306745.db2.gz LWJUKACJYUTIJD-QWRGUYRKSA-N 2 0 223.320 0.091 20 0 BCADRP [NH3+]CCCCCC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877282773 590307026 /nfs/dbraw/zinc/30/70/26/590307026.db2.gz NAZJHRGAEVNCRJ-RYUDHWBXSA-N 2 0 239.363 0.858 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877288784 590307195 /nfs/dbraw/zinc/30/71/95/590307195.db2.gz QTGVRDDCJBOPPT-TUAOUCFPSA-N 2 0 237.347 0.481 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877288472 590307415 /nfs/dbraw/zinc/30/74/15/590307415.db2.gz PFBNTBFCBQXQAY-AEJSXWLSSA-N 2 0 211.309 0.077 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877289276 590307767 /nfs/dbraw/zinc/30/77/67/590307767.db2.gz TWGKXRLPTZQYHX-RYUDHWBXSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877290092 590307851 /nfs/dbraw/zinc/30/78/51/590307851.db2.gz YHLYRXBSZRWHNK-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP [NH3+]CCCC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877347900 590318696 /nfs/dbraw/zinc/31/86/96/590318696.db2.gz VUCAOYSLPNBHJQ-ZDUSSCGKSA-N 2 0 247.342 0.556 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877347605 590319012 /nfs/dbraw/zinc/31/90/12/590319012.db2.gz LHNRGNNFTMCEHN-SKDRFNHKSA-N 2 0 233.315 0.164 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373720 590320026 /nfs/dbraw/zinc/32/00/26/590320026.db2.gz GRGSNYRWPAQAMD-NTZNESFSSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877380259 590320416 /nfs/dbraw/zinc/32/04/16/590320416.db2.gz ZHWGLJQEFSAYMX-OPQQBVKSSA-N 2 0 239.363 0.428 20 0 BCADRP [NH3+]CC1(CC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000877386113 590320425 /nfs/dbraw/zinc/32/04/25/590320425.db2.gz GLXOCRFEAVVPPW-GWCFXTLKSA-N 2 0 237.347 0.516 20 0 BCADRP O=C(CCC1C[NH2+]C1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877384603 590320565 /nfs/dbraw/zinc/32/05/65/590320565.db2.gz KFOYPCRQMUUJOQ-YPMHNXCESA-N 2 0 237.347 0.387 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000877386188 590321034 /nfs/dbraw/zinc/32/10/34/590321034.db2.gz PUPFZKGWHZJBPI-BFLSOPEQSA-N 2 0 223.320 0.125 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000877387700 590321451 /nfs/dbraw/zinc/32/14/51/590321451.db2.gz PUPFZKGWHZJBPI-DTHBNOIPSA-N 2 0 223.320 0.125 20 0 BCADRP [NH3+]C1(CC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000877387424 590321492 /nfs/dbraw/zinc/32/14/92/590321492.db2.gz YQNLUYGCFNTNOO-SKDRFNHKSA-N 2 0 223.320 0.269 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877392925 590322011 /nfs/dbraw/zinc/32/20/11/590322011.db2.gz VXQFRIAZKCPYSE-WZRBSPASSA-N 2 0 239.363 0.775 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877391487 590322390 /nfs/dbraw/zinc/32/23/90/590322390.db2.gz NZERPMMRIICRPQ-DGCLKSJQSA-N 2 0 239.363 0.729 20 0 BCADRP O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC000877392838 590322507 /nfs/dbraw/zinc/32/25/07/590322507.db2.gz URQKEGGXCLCEIH-NQBHXWOUSA-N 2 0 237.347 0.387 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877400924 590323873 /nfs/dbraw/zinc/32/38/73/590323873.db2.gz YJPAFSSSBLNDSH-CMPLNLGQSA-N 2 0 225.336 0.387 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)CC1([NH3+])CC1 ZINC000877436817 590327969 /nfs/dbraw/zinc/32/79/69/590327969.db2.gz NMSXHGZPUMCTMF-UHFFFAOYSA-N 2 0 227.352 0.845 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(C)CCCCCC[NH3+] ZINC000877438423 590327987 /nfs/dbraw/zinc/32/79/87/590327987.db2.gz OWVBSZXWBJLCOG-JTQLQIEISA-N 2 0 215.341 0.559 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCCCCC[NH3+] ZINC000877438048 590328457 /nfs/dbraw/zinc/32/84/57/590328457.db2.gz HULRWALZYRETFN-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000877450962 590328557 /nfs/dbraw/zinc/32/85/57/590328557.db2.gz IVCFKYXEWYGITQ-BNDIWNMDSA-N 2 0 249.358 0.432 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000877450963 590328914 /nfs/dbraw/zinc/32/89/14/590328914.db2.gz IVCFKYXEWYGITQ-LBELIVKGSA-N 2 0 249.358 0.432 20 0 BCADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CC[C@H]2O)CC1 ZINC000877597533 590371132 /nfs/dbraw/zinc/37/11/32/590371132.db2.gz OXRGHYCEBVDMEP-VXGBXAGGSA-N 2 0 242.363 0.335 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(CC(=O)NC3CC3)CC[C@H]21 ZINC000879567165 590807284 /nfs/dbraw/zinc/80/72/84/590807284.db2.gz NJMGIAUXSHIXGA-CMPLNLGQSA-N 2 0 237.347 0.291 20 0 BCADRP COC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573657 590808659 /nfs/dbraw/zinc/80/86/59/590808659.db2.gz PJGBNSUXYPKZJP-TUAOUCFPSA-N 2 0 228.336 0.020 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000879581341 590822400 /nfs/dbraw/zinc/82/24/00/590822400.db2.gz YRCFIYBGUNBIJN-RWMBFGLXSA-N 2 0 242.363 0.674 20 0 BCADRP C[NH+](C)CC1(C(=O)NC2CC([NH+](C)C)C2)CC1 ZINC000879873236 590886580 /nfs/dbraw/zinc/88/65/80/590886580.db2.gz UIMQUGGJKGEGBQ-UHFFFAOYSA-N 2 0 239.363 0.537 20 0 BCADRP OC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH]cn1 ZINC000880071599 590917112 /nfs/dbraw/zinc/91/71/12/590917112.db2.gz KLVDUMHIENDVHA-NWDGAFQWSA-N 2 0 236.319 0.051 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000882486282 591359215 /nfs/dbraw/zinc/35/92/15/591359215.db2.gz PCROKQZMKMVLCI-QWRGUYRKSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@@H](CNC(=O)C[C@@H]([NH3+])C1CC1)[NH+](C)C ZINC000129810531 591410538 /nfs/dbraw/zinc/41/05/38/591410538.db2.gz MCYJLZZKCRLZAU-WCBMZHEXSA-N 2 0 213.325 0.180 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000131207376 591571787 /nfs/dbraw/zinc/57/17/87/591571787.db2.gz UBYNHJWKUKCFFY-GFCCVEGCSA-N 2 0 237.278 0.785 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000131207182 591571919 /nfs/dbraw/zinc/57/19/19/591571919.db2.gz UBYNHJWKUKCFFY-LBPRGKRZSA-N 2 0 237.278 0.785 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883417891 591651540 /nfs/dbraw/zinc/65/15/40/591651540.db2.gz QIEHWZLSDNSWKS-RHYQMDGZSA-N 2 0 229.343 0.746 20 0 BCADRP [NH3+][C@@H]1CCN(C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000883415500 591652789 /nfs/dbraw/zinc/65/27/89/591652789.db2.gz WYUGCVGNEAMZMR-VXGBXAGGSA-N 2 0 240.347 0.748 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883416279 591652894 /nfs/dbraw/zinc/65/28/94/591652894.db2.gz QTETWMPXYBIDER-WOPDTQHZSA-N 2 0 229.343 0.618 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883416083 591653142 /nfs/dbraw/zinc/65/31/42/591653142.db2.gz LPYYVWIXGAZJMN-BJDJZHNGSA-N 2 0 229.343 0.888 20 0 BCADRP C[C@@H](C[NH3+])N(C)C[C@H]1CCC2(CCOCC2)O1 ZINC000883418170 591654159 /nfs/dbraw/zinc/65/41/59/591654159.db2.gz ZOMQGJMBWDJWSU-NWDGAFQWSA-N 2 0 242.363 0.994 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CC[NH+](C3CCC3)CC2)C1 ZINC000883424624 591659278 /nfs/dbraw/zinc/65/92/78/591659278.db2.gz YHMQCOJKGFQYRY-RYUDHWBXSA-N 2 0 241.354 0.857 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000883425532 591659420 /nfs/dbraw/zinc/65/94/20/591659420.db2.gz WRJGYOVHZRIZQS-SRVKXCTJSA-N 2 0 227.327 0.372 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883427562 591660581 /nfs/dbraw/zinc/66/05/81/591660581.db2.gz VRQLWEQOYYGNDO-VLEAKVRGSA-N 2 0 215.316 0.369 20 0 BCADRP C[C@@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@H]1C[NH3+] ZINC000883432376 591663114 /nfs/dbraw/zinc/66/31/14/591663114.db2.gz QFNRGSQFDNTFSE-WYUUTHIRSA-N 2 0 229.343 0.603 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883435127 591664577 /nfs/dbraw/zinc/66/45/77/591664577.db2.gz LDOCXUDAJGABOP-MMWGEVLESA-N 2 0 215.316 0.498 20 0 BCADRP CCN(CC[NH3+])C[C@@H]1CCC2(CCOCC2)O1 ZINC000883437402 591667205 /nfs/dbraw/zinc/66/72/05/591667205.db2.gz QYOFSXDOSCJHGA-LBPRGKRZSA-N 2 0 242.363 0.995 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883438012 591667561 /nfs/dbraw/zinc/66/75/61/591667561.db2.gz HZGZNWBIAGRXNR-QEYWKRMJSA-N 2 0 201.289 0.108 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000883440695 591668636 /nfs/dbraw/zinc/66/86/36/591668636.db2.gz WWXHDIWVTMBTJJ-ZDEQEGDKSA-N 2 0 241.354 0.760 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000883440515 591668823 /nfs/dbraw/zinc/66/88/23/591668823.db2.gz SGEPEIRJUAQTTK-BJDJZHNGSA-N 2 0 227.327 0.513 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCN1CCOC1=O ZINC000883441148 591668857 /nfs/dbraw/zinc/66/88/57/591668857.db2.gz IHBCNQUQGPUWIO-RKDXNWHRSA-N 2 0 227.308 0.154 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](CF)C1 ZINC000883447534 591671032 /nfs/dbraw/zinc/67/10/32/591671032.db2.gz DZHBCSYFOHKUCR-UWVGGRQHSA-N 2 0 204.289 0.248 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132968442 591751370 /nfs/dbraw/zinc/75/13/70/591751370.db2.gz SIHOOBDCXLALAL-BBBLOLIVSA-N 2 0 213.325 0.323 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000884005554 591794081 /nfs/dbraw/zinc/79/40/81/591794081.db2.gz LULBNUMJUCEKMU-SNVBAGLBSA-N 2 0 225.336 0.100 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000884008056 591795780 /nfs/dbraw/zinc/79/57/80/591795780.db2.gz AFKBCRZLMQSMFA-ZJUUUORDSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[NH2+]CC1 ZINC000884007458 591795666 /nfs/dbraw/zinc/79/56/66/591795666.db2.gz AVUOFFPFYAHCTA-JTQLQIEISA-N 2 0 213.325 0.052 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000884009059 591796295 /nfs/dbraw/zinc/79/62/95/591796295.db2.gz KFIFERKCLQAQRB-NXEZZACHSA-N 2 0 227.352 0.556 20 0 BCADRP C[NH2+]CCCNC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884013091 591798445 /nfs/dbraw/zinc/79/84/45/591798445.db2.gz BVUSWYMUQYRJAJ-SNVBAGLBSA-N 2 0 229.368 0.722 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000884012496 591798785 /nfs/dbraw/zinc/79/87/85/591798785.db2.gz MCYIYJFLFSAJCA-WDEREUQCSA-N 2 0 241.379 0.864 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H](CC(C)C)[NH2+]C ZINC000884014727 591799534 /nfs/dbraw/zinc/79/95/34/591799534.db2.gz VQRSWCBBPHCJDZ-NSHDSACASA-N 2 0 229.368 0.736 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000884016827 591800415 /nfs/dbraw/zinc/80/04/15/591800415.db2.gz FKIKSVKVCKEPLE-GHMZBOCLSA-N 2 0 239.363 0.348 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000884021062 591802270 /nfs/dbraw/zinc/80/22/70/591802270.db2.gz QYDVXMBQDIEXLM-GHMZBOCLSA-N 2 0 241.379 0.803 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000884024653 591804697 /nfs/dbraw/zinc/80/46/97/591804697.db2.gz YBJORZULLZDVMY-SNVBAGLBSA-N 2 0 225.336 0.100 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000884024698 591804705 /nfs/dbraw/zinc/80/47/05/591804705.db2.gz ZISPEFCHFJXZQM-NXEZZACHSA-N 2 0 225.336 0.100 20 0 BCADRP CCCN(C(=O)[C@@H]([NH3+])CC1CC1)[C@H]1CC[NH2+]C1 ZINC000884026631 591808758 /nfs/dbraw/zinc/80/87/58/591808758.db2.gz IGWWIRCWJHDMKB-RYUDHWBXSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000884027729 591811703 /nfs/dbraw/zinc/81/17/03/591811703.db2.gz LOLQXSYJUGGGSM-QWRGUYRKSA-N 2 0 239.363 0.300 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000884028889 591813042 /nfs/dbraw/zinc/81/30/42/591813042.db2.gz VIYZJZZPHROOIM-MNOVXSKESA-N 2 0 227.352 0.441 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000884030200 591813918 /nfs/dbraw/zinc/81/39/18/591813918.db2.gz JAXVNOXWCIJCAK-UTUOFQBUSA-N 2 0 241.379 0.829 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884032654 591816047 /nfs/dbraw/zinc/81/60/47/591816047.db2.gz ZGIFFICWMGPMJO-BDAKNGLRSA-N 2 0 213.325 0.038 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000884032928 591816416 /nfs/dbraw/zinc/81/64/16/591816416.db2.gz DUIRCZRHESWXAQ-TUAOUCFPSA-N 2 0 241.379 0.816 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000884032927 591816842 /nfs/dbraw/zinc/81/68/42/591816842.db2.gz DUIRCZRHESWXAQ-SRVKXCTJSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884035202 591817397 /nfs/dbraw/zinc/81/73/97/591817397.db2.gz UPXYPAZWWJSJGN-AAEUAGOBSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884035824 591817847 /nfs/dbraw/zinc/81/78/47/591817847.db2.gz IVHQHXBTIPEGAQ-ZWNOBZJWSA-N 2 0 241.379 0.722 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884042509 591822973 /nfs/dbraw/zinc/82/29/73/591822973.db2.gz AZKWSEVROPQZBP-GHMZBOCLSA-N 2 0 241.379 0.866 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884040705 591823216 /nfs/dbraw/zinc/82/32/16/591823216.db2.gz BFJKKTWLAZRPPI-SNVBAGLBSA-N 2 0 241.379 0.675 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H](C)[NH+](C)C ZINC000884199159 591872595 /nfs/dbraw/zinc/87/25/95/591872595.db2.gz QWVYUYIHLDBFBR-QWRGUYRKSA-N 2 0 229.368 0.687 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H](CC(C)C)[NH2+]C ZINC000884342883 591907707 /nfs/dbraw/zinc/90/77/07/591907707.db2.gz MDDOITXDGQTIHT-NSHDSACASA-N 2 0 229.368 0.688 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000884241953 591879216 /nfs/dbraw/zinc/87/92/16/591879216.db2.gz GSAPNUONGXWYIE-QWRGUYRKSA-N 2 0 241.379 0.849 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000884241862 591879689 /nfs/dbraw/zinc/87/96/89/591879689.db2.gz DMFDHHFXDLKWJO-NXEZZACHSA-N 2 0 225.336 0.086 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000884244672 591882095 /nfs/dbraw/zinc/88/20/95/591882095.db2.gz JJQMNSWUDRYUCA-TUAOUCFPSA-N 2 0 241.379 0.829 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000884245082 591882418 /nfs/dbraw/zinc/88/24/18/591882418.db2.gz PTMNGRXCQXYNKI-AXFHLTTASA-N 2 0 239.363 0.428 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)NCC1([NH3+])CCC1 ZINC000884247470 591883058 /nfs/dbraw/zinc/88/30/58/591883058.db2.gz VXDHECODSUOYRI-SECBINFHSA-N 2 0 211.309 0.111 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC000884267239 591888703 /nfs/dbraw/zinc/88/87/03/591888703.db2.gz YEOAVQZQFKUVRS-SNVBAGLBSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000884267997 591888729 /nfs/dbraw/zinc/88/87/29/591888729.db2.gz SMPCBZWKTDFQCE-TUAOUCFPSA-N 2 0 237.347 0.467 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000884276611 591891298 /nfs/dbraw/zinc/89/12/98/591891298.db2.gz VBEQIDAYDBCVNU-TUAOUCFPSA-N 2 0 239.363 0.298 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000884293480 591895617 /nfs/dbraw/zinc/89/56/17/591895617.db2.gz DHXQIHFVQGQLCC-QJPTWQEYSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H](NC(=O)[C@H]1C[NH2+]CC1(C)C)[C@H](C)[NH3+] ZINC000884297335 591898014 /nfs/dbraw/zinc/89/80/14/591898014.db2.gz OTSWOCFSZMYOQD-DJLDLDEBSA-N 2 0 213.325 0.084 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884304434 591898953 /nfs/dbraw/zinc/89/89/53/591898953.db2.gz OPXWJKWQEUOTDE-ZJUUUORDSA-N 2 0 225.336 0.371 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000884303385 591899540 /nfs/dbraw/zinc/89/95/40/591899540.db2.gz NJNBWBLEOGNEHX-UTUOFQBUSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884338822 591904186 /nfs/dbraw/zinc/90/41/86/591904186.db2.gz TVIOBLNFMCXEIQ-VHSXEESVSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884338771 591905781 /nfs/dbraw/zinc/90/57/81/591905781.db2.gz RGXXSZLKJLMJDG-ZJUUUORDSA-N 2 0 241.379 0.722 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)CC[NH3+] ZINC000884341989 591907081 /nfs/dbraw/zinc/90/70/81/591907081.db2.gz MZFJRVZFKUSEAV-VIFPVBQESA-N 2 0 215.341 0.413 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000884344643 591909065 /nfs/dbraw/zinc/90/90/65/591909065.db2.gz LZZMIVRCWLUKKC-AAEUAGOBSA-N 2 0 237.347 0.468 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884347814 591909127 /nfs/dbraw/zinc/90/91/27/591909127.db2.gz HBQVGEWUNSJRCW-AEJSXWLSSA-N 2 0 227.352 0.602 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884347756 591909164 /nfs/dbraw/zinc/90/91/64/591909164.db2.gz DZKRTTBCTHDQJH-CIUDSAMLSA-N 2 0 245.392 0.309 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884348291 591909659 /nfs/dbraw/zinc/90/96/59/591909659.db2.gz TZHFHYYCHKUXES-IWSPIJDZSA-N 2 0 227.352 0.602 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884347981 591909716 /nfs/dbraw/zinc/90/97/16/591909716.db2.gz LIWAGXUVBRPTNV-ZJUUUORDSA-N 2 0 227.352 0.617 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000884348084 591909753 /nfs/dbraw/zinc/90/97/53/591909753.db2.gz NSOGEQMIICIYBJ-IVZWLZJFSA-N 2 0 225.336 0.371 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1ccc(C[NH3+])o1 ZINC000884348343 591909787 /nfs/dbraw/zinc/90/97/87/591909787.db2.gz WKJOOTSXBXPSNK-UWVGGRQHSA-N 2 0 237.303 0.594 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000884348450 591909825 /nfs/dbraw/zinc/90/98/25/591909825.db2.gz ZNZUSCKVAQFCJE-GRYCIOLGSA-N 2 0 247.342 0.928 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000884348227 591910054 /nfs/dbraw/zinc/91/00/54/591910054.db2.gz RDYSSCLWKPSYBL-QWRGUYRKSA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000884347997 591910187 /nfs/dbraw/zinc/91/01/87/591910187.db2.gz LUWXVBUFYITKQF-OPRDCNLKSA-N 2 0 225.336 0.228 20 0 BCADRP CC1(C)[C@H](NC(=O)CCCCC[NH3+])C[C@@H]1[NH3+] ZINC000884358597 591910583 /nfs/dbraw/zinc/91/05/83/591910583.db2.gz TYMAYIIHZNBVMQ-VHSXEESVSA-N 2 0 227.352 0.748 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000884358540 591912281 /nfs/dbraw/zinc/91/22/81/591912281.db2.gz RWUZRWFVHJNKBL-DCAQKATOSA-N 2 0 239.363 0.761 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884358762 591912418 /nfs/dbraw/zinc/91/24/18/591912418.db2.gz XOLXHRSONUOCBH-VHSXEESVSA-N 2 0 227.352 0.569 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884358766 591912478 /nfs/dbraw/zinc/91/24/78/591912478.db2.gz XOOXXSFBLQUFHV-RBXMUDONSA-N 2 0 213.325 0.212 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884357611 591912576 /nfs/dbraw/zinc/91/25/76/591912576.db2.gz BCGVJELAMFPLLY-QEYWKRMJSA-N 2 0 227.352 0.602 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000884358100 591912814 /nfs/dbraw/zinc/91/28/14/591912814.db2.gz LHADDFOBELLTNK-ORXSELOVSA-N 2 0 237.347 0.228 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C)[NH+](C)C ZINC000884358857 591913007 /nfs/dbraw/zinc/91/30/07/591913007.db2.gz ZNUCGPISUYEMDO-AXFHLTTASA-N 2 0 241.379 0.815 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]([NH3+])C1CCC1 ZINC000884361433 591914746 /nfs/dbraw/zinc/91/47/46/591914746.db2.gz SHKJQTKVSLFLNA-OPRDCNLKSA-N 2 0 225.336 0.356 20 0 BCADRP CC1(C)[C@H](NC(=O)C[C@H]2CC[NH2+]C2)C[C@@H]1[NH3+] ZINC000884362625 591915756 /nfs/dbraw/zinc/91/57/56/591915756.db2.gz OTTZHTLCUAATMF-KXUCPTDWSA-N 2 0 225.336 0.228 20 0 BCADRP CC1(C)[C@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C[C@@H]1[NH3+] ZINC000884366368 591917013 /nfs/dbraw/zinc/91/70/13/591917013.db2.gz YPMXESOMFICKFT-HSNKUXOKSA-N 2 0 247.289 0.068 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884364937 591917209 /nfs/dbraw/zinc/91/72/09/591917209.db2.gz APKMHWDTLVXWGY-UTLUCORTSA-N 2 0 239.363 0.474 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000884366296 591917329 /nfs/dbraw/zinc/91/73/29/591917329.db2.gz XKAUOKFFPXJGJS-MXWKQRLJSA-N 2 0 239.363 0.570 20 0 BCADRP CC1(C)[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C[C@@H]1[NH3+] ZINC000884365916 591917647 /nfs/dbraw/zinc/91/76/47/591917647.db2.gz QKMHJFHHMNDZMW-ZRUFSTJUSA-N 2 0 239.363 0.746 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)NCCC1CC[NH2+]CC1 ZINC000884388677 591921802 /nfs/dbraw/zinc/92/18/02/591921802.db2.gz CPLFEGMQQFDRFH-LBPRGKRZSA-N 2 0 239.363 0.620 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000884385585 591922161 /nfs/dbraw/zinc/92/21/61/591922161.db2.gz QOYUGEXJIHBNSY-JTQLQIEISA-N 2 0 239.363 0.477 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000884390350 591922834 /nfs/dbraw/zinc/92/28/34/591922834.db2.gz UKLXDVDGPMUKFE-WOPDTQHZSA-N 2 0 241.379 0.959 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884390463 591923348 /nfs/dbraw/zinc/92/33/48/591923348.db2.gz WWSUAPTWZILRRN-TUAOUCFPSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884389911 591923361 /nfs/dbraw/zinc/92/33/61/591923361.db2.gz JCDYHIXQJBMVCM-DVVUODLYSA-N 2 0 225.336 0.452 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000884408957 591926862 /nfs/dbraw/zinc/92/68/62/591926862.db2.gz WBFAMCFILFASTJ-AKJDGMEZSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884430535 591931883 /nfs/dbraw/zinc/93/18/83/591931883.db2.gz SRJJBBZUIGSKNF-NEPJUHHUSA-N 2 0 239.363 0.570 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884431755 591932369 /nfs/dbraw/zinc/93/23/69/591932369.db2.gz FXPMXTDZCHXGEB-VIFPVBQESA-N 2 0 213.325 0.039 20 0 BCADRP CCN(CC[NH3+])C(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884431746 591932427 /nfs/dbraw/zinc/93/24/27/591932427.db2.gz FRLXEGVVGUOOTF-JTQLQIEISA-N 2 0 229.368 0.803 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884434289 591933410 /nfs/dbraw/zinc/93/34/10/591933410.db2.gz GXLVVUOHTYSWSC-GARJFASQSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)C[NH2+]1 ZINC000884437298 591934326 /nfs/dbraw/zinc/93/43/26/591934326.db2.gz CLCOPJFQRYLSPL-VWYCJHECSA-N 2 0 239.363 0.489 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000884438085 591934340 /nfs/dbraw/zinc/93/43/40/591934340.db2.gz UJUPRKHDFRDLBP-TUAOUCFPSA-N 2 0 241.379 0.877 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884445851 591936581 /nfs/dbraw/zinc/93/65/81/591936581.db2.gz YWKYLTRFYDCWMG-LPEHRKFASA-N 2 0 225.336 0.099 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884444574 591936737 /nfs/dbraw/zinc/93/67/37/591936737.db2.gz OPDCSQFOYYUBNU-RKDXNWHRSA-N 2 0 213.325 0.038 20 0 BCADRP COCC[C@@H]([NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884449609 591937115 /nfs/dbraw/zinc/93/71/15/591937115.db2.gz JLTPPUSNBBFNAK-WDEREUQCSA-N 2 0 243.351 0.080 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884449947 591938587 /nfs/dbraw/zinc/93/85/87/591938587.db2.gz SNGWQEYVYABOGB-NWDGAFQWSA-N 2 0 239.363 0.844 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000884469447 591943999 /nfs/dbraw/zinc/94/39/99/591943999.db2.gz JBNKPBGAQANNOH-DCAQKATOSA-N 2 0 227.352 0.474 20 0 BCADRP Cc1cc(NCC[N@H+](C)CCO)nc(C)n1 ZINC000884824126 592018402 /nfs/dbraw/zinc/01/84/02/592018402.db2.gz RTPJWFZTPCLTPZ-UHFFFAOYSA-N 2 0 224.308 0.429 20 0 BCADRP C[N@H+](CCO)CCNc1cc[nH+]cc1C1CC1 ZINC000884826334 592023548 /nfs/dbraw/zinc/02/35/48/592023548.db2.gz ZKSQOKRCCMUVIY-UHFFFAOYSA-N 2 0 235.331 0.717 20 0 BCADRP CCc1cc(NCC[N@H+](C)CCO)cc[nH+]1 ZINC000884825210 592024058 /nfs/dbraw/zinc/02/40/58/592024058.db2.gz LHVRWVBYYVHIQC-UHFFFAOYSA-N 2 0 223.320 0.402 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000137394971 592175756 /nfs/dbraw/zinc/17/57/56/592175756.db2.gz SPHAXXOYXMQVCQ-NEPJUHHUSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+][C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000137383711 592176117 /nfs/dbraw/zinc/17/61/17/592176117.db2.gz SZDVZKMMXRMNKV-ZYHUDNBSSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@H](CNC(=O)C[C@@H]([NH3+])C1CC1)[NH+]1CCCC1 ZINC000137447002 592183866 /nfs/dbraw/zinc/18/38/66/592183866.db2.gz DUKYHPBQSMCKEU-ZYHUDNBSSA-N 2 0 239.363 0.714 20 0 BCADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)CC1(C)C ZINC000886251377 592186639 /nfs/dbraw/zinc/18/66/39/592186639.db2.gz BKHXVXANWCMNKY-WISYIIOYSA-N 2 0 242.363 0.333 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886826981 592348201 /nfs/dbraw/zinc/34/82/01/592348201.db2.gz BBOOSSBZJZEEJZ-SRVKXCTJSA-N 2 0 210.321 0.694 20 0 BCADRP C([C@H]1C[C@]12CCOC2)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000886838412 592358574 /nfs/dbraw/zinc/35/85/74/592358574.db2.gz XBFJAIXCPDUXNU-XQHKEYJVSA-N 2 0 222.332 0.564 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@@H]1C[C@@]12CCOC2 ZINC000886841643 592363400 /nfs/dbraw/zinc/36/34/00/592363400.db2.gz RINCTWYZKIOFHE-NWDGAFQWSA-N 2 0 228.336 0.320 20 0 BCADRP CCN(C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CC[NH2+]C1 ZINC000886847059 592365596 /nfs/dbraw/zinc/36/55/96/592365596.db2.gz YACVRGAIPNPYKB-NWDGAFQWSA-N 2 0 239.363 0.191 20 0 BCADRP CCN(CC[C@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000886848717 592365948 /nfs/dbraw/zinc/36/59/48/592365948.db2.gz LWFATGJFILGCGH-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP c1nnn2c1C[N@H+](CC1CC[NH2+]CC1)CCC2 ZINC000886858048 592370665 /nfs/dbraw/zinc/37/06/65/592370665.db2.gz KKHGXCOSUNNWSQ-UHFFFAOYSA-N 2 0 235.335 0.483 20 0 BCADRP C[C@@H](CNC(=[NH2+])NCC(F)F)[NH+]1CCCC1 ZINC000887348789 592484714 /nfs/dbraw/zinc/48/47/14/592484714.db2.gz XMHFLGDKVPKFLN-QMMMGPOBSA-N 2 0 234.294 0.850 20 0 BCADRP [NH2+]=C(NCC1CC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000887349816 592485397 /nfs/dbraw/zinc/48/53/97/592485397.db2.gz KIMLIYDXXQNESY-LLVKDONJSA-N 2 0 236.363 0.995 20 0 BCADRP C[NH+](C)CCCCNC(=[NH2+])NCC(F)F ZINC000887349640 592485600 /nfs/dbraw/zinc/48/56/00/592485600.db2.gz CRDZUSYVZJHXIO-UHFFFAOYSA-N 2 0 222.283 0.707 20 0 BCADRP [NH2+]=C(NCC(F)F)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000887349984 592485862 /nfs/dbraw/zinc/48/58/62/592485862.db2.gz PVKBBXHNODBVGF-MRVPVSSYSA-N 2 0 246.305 0.850 20 0 BCADRP CC(C)[N@H+](C)CCNC(=[NH2+])NCC1CC1 ZINC000887352932 592486497 /nfs/dbraw/zinc/48/64/97/592486497.db2.gz VBHUJMRPRDTIQL-UHFFFAOYSA-N 2 0 212.341 0.851 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000302695369 592552581 /nfs/dbraw/zinc/55/25/81/592552581.db2.gz UKKQJSQPUSYBQH-JQWIXIFHSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]1NCCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000925703040 634379058 /nfs/dbraw/zinc/37/90/58/634379058.db2.gz SDHNZVGUKXKRAB-MNOVXSKESA-N 2 0 211.353 0.846 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925703945 634382064 /nfs/dbraw/zinc/38/20/64/634382064.db2.gz WMWXJFBXIFYCCR-RGOKHQFPSA-N 2 0 223.320 0.110 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925703942 634382396 /nfs/dbraw/zinc/38/23/96/634382396.db2.gz WMWXJFBXIFYCCR-QCLAVDOMSA-N 2 0 223.320 0.110 20 0 BCADRP CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001026916911 634390440 /nfs/dbraw/zinc/39/04/40/634390440.db2.gz RRRGQPNZPMBAHV-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925708187 634399468 /nfs/dbraw/zinc/39/94/68/634399468.db2.gz GMIMUFXLCGRTPU-WRWGMCAJSA-N 2 0 242.363 0.896 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925710635 634407832 /nfs/dbraw/zinc/40/78/32/634407832.db2.gz QIRYZHXNSYZHCR-MXWKQRLJSA-N 3 0 211.353 0.973 20 0 BCADRP CC[C@@H](O)C[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925711666 634412227 /nfs/dbraw/zinc/41/22/27/634412227.db2.gz UYHIOPNRVRIYSJ-IIRVCBMXSA-N 2 0 228.336 0.099 20 0 BCADRP CO[C@@H](C)C[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925713255 634416510 /nfs/dbraw/zinc/41/65/10/634416510.db2.gz SYSFKJDHMZHBSL-HHHUOAJASA-N 2 0 228.336 0.363 20 0 BCADRP CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027217010 634457729 /nfs/dbraw/zinc/45/77/29/634457729.db2.gz DNVQXUFOMJIXBM-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000257693962 634469148 /nfs/dbraw/zinc/46/91/48/634469148.db2.gz OGYHTIXDQMLRCZ-NWDGAFQWSA-N 2 0 209.337 0.424 20 0 BCADRP C[C@@H]1CN(C(=O)NCCC2(C[NH3+])CC2)C[C@H]1[NH3+] ZINC000652232064 634534247 /nfs/dbraw/zinc/53/42/47/634534247.db2.gz PHJNGPNWVNKZBY-NXEZZACHSA-N 2 0 240.351 0.104 20 0 BCADRP [NH3+]CC1(CCNC(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000652232307 634534609 /nfs/dbraw/zinc/53/46/09/634534609.db2.gz WNOIVFBAOYXCNN-SNVBAGLBSA-N 2 0 240.351 0.248 20 0 BCADRP [NH3+]C1CC(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925729520 634544358 /nfs/dbraw/zinc/54/43/58/634544358.db2.gz KCXLXWKAKQRDRB-CHIXHJKISA-N 3 0 221.348 0.310 20 0 BCADRP C[C@]1(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000663012145 634556730 /nfs/dbraw/zinc/55/67/30/634556730.db2.gz UQMFOSSJLNLFBC-WPRPVWTQSA-N 2 0 247.289 0.099 20 0 BCADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000423312424 634580637 /nfs/dbraw/zinc/58/06/37/634580637.db2.gz VCYVMEOQHGVFEL-WCBMZHEXSA-N 2 0 208.309 0.972 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1NC[C@H]1C[NH2+]CCC1(F)F ZINC000925775944 635250591 /nfs/dbraw/zinc/25/05/91/635250591.db2.gz IIJORCQPWOZMKR-OPRDCNLKSA-N 2 0 233.306 0.701 20 0 BCADRP C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)C1C[NH2+]C1 ZINC000925832107 635472383 /nfs/dbraw/zinc/47/23/83/635472383.db2.gz QTDPEUFCDYBZKT-XZUYRWCXSA-N 2 0 222.332 0.775 20 0 BCADRP CCO[C@H](CN[C@H]1CCC[NH2+][C@H]1C)C[NH+](C)C ZINC000925837306 635494245 /nfs/dbraw/zinc/49/42/45/635494245.db2.gz PCSBXTJSMDFGCV-XQQFMLRXSA-N 2 0 243.395 0.683 20 0 BCADRP CCCS(=O)(=O)CC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000233262863 635529435 /nfs/dbraw/zinc/52/94/35/635529435.db2.gz NYHBSZSGGWWRQX-NSHDSACASA-N 2 0 248.392 0.482 20 0 BCADRP C(COC1CCOCC1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000925878742 635605409 /nfs/dbraw/zinc/60/54/09/635605409.db2.gz ZAOCLLWNCHJJKP-GFCCVEGCSA-N 2 0 242.363 0.914 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000925880542 635607640 /nfs/dbraw/zinc/60/76/40/635607640.db2.gz RTJOSYANKOWHRB-IRCOFANPSA-N 3 0 211.353 0.973 20 0 BCADRP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001022104068 631351763 /nfs/dbraw/zinc/35/17/63/631351763.db2.gz SPAVCXVJVZTJBZ-WISYIIOYSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000082679990 631410960 /nfs/dbraw/zinc/41/09/60/631410960.db2.gz OLSKMGRLEASOHR-CBAPKCEASA-N 2 0 240.269 0.969 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000891963729 631643803 /nfs/dbraw/zinc/64/38/03/631643803.db2.gz LXIGKANVPWAXBI-VHSXEESVSA-N 2 0 228.340 0.165 20 0 BCADRP Cc1cc(N)nc(NC2CC[NH+](C)CC2)[nH+]1 ZINC000258987608 631709839 /nfs/dbraw/zinc/70/98/39/631709839.db2.gz VTGWKSSXYDXTLA-UHFFFAOYSA-N 2 0 221.308 0.873 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)NCC1=CC[NH2+]CC1 ZINC000892072433 631719886 /nfs/dbraw/zinc/71/98/86/631719886.db2.gz SNNFYPRFTQWUSE-LLVKDONJSA-N 2 0 238.335 0.039 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000892171385 631752164 /nfs/dbraw/zinc/75/21/64/631752164.db2.gz XWCSLRWXLQNAQO-XWLWVQCSSA-N 2 0 240.351 0.150 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000892199052 631778941 /nfs/dbraw/zinc/77/89/41/631778941.db2.gz IPNCWFMTRNGZGK-XKNYDFJKSA-N 2 0 228.340 0.243 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NCCCCCC[NH3+] ZINC000892212670 631787475 /nfs/dbraw/zinc/78/74/75/631787475.db2.gz SVUWLHUJRBXQER-UHFFFAOYSA-N 2 0 244.383 0.932 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000068890889 631789125 /nfs/dbraw/zinc/78/91/25/631789125.db2.gz ITYHMKRSPRLNGQ-MXWKQRLJSA-N 2 0 216.325 0.053 20 0 BCADRP [NH3+]C[C@@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000309014274 631798641 /nfs/dbraw/zinc/79/86/41/631798641.db2.gz QJBKDSMILPEOKH-JTQLQIEISA-N 2 0 208.309 0.623 20 0 BCADRP CC[NH2+]CC(=O)NCC(C)(C)C[NH+](C)C ZINC000044646651 631819887 /nfs/dbraw/zinc/81/98/87/631819887.db2.gz LHEXFNWLLQZBNH-UHFFFAOYSA-N 2 0 215.341 0.300 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)CCCCC[NH3+] ZINC000309092510 631882350 /nfs/dbraw/zinc/88/23/50/631882350.db2.gz BQKYWXZARVZQIJ-VIFPVBQESA-N 2 0 201.314 0.217 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC2=[NH+]CCN2C)C1 ZINC000849004982 631905350 /nfs/dbraw/zinc/90/53/50/631905350.db2.gz NDRZDJUNCGARIZ-SNVBAGLBSA-N 2 0 210.325 0.219 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000309283310 631992938 /nfs/dbraw/zinc/99/29/38/631992938.db2.gz NXBOWTCBVQLPDD-VIFPVBQESA-N 2 0 213.325 0.311 20 0 BCADRP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000122290512 632060075 /nfs/dbraw/zinc/06/00/75/632060075.db2.gz QGXAUDIGTGGZKQ-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000125538792 632108899 /nfs/dbraw/zinc/10/88/99/632108899.db2.gz YXYPTUDLGJESIT-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCF)C2)C1 ZINC001023086823 632125446 /nfs/dbraw/zinc/12/54/46/632125446.db2.gz YLGYBOMCXWYNEE-MXWKQRLJSA-N 2 0 243.326 0.144 20 0 BCADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001023089067 632127189 /nfs/dbraw/zinc/12/71/89/632127189.db2.gz XFKLTPYZQAAOSQ-PHIMTYICSA-N 2 0 243.326 0.289 20 0 BCADRP Cc1c(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cnn1C ZINC000226308724 632402461 /nfs/dbraw/zinc/40/24/61/632402461.db2.gz SASHBDXCEMKMRT-JQWIXIFHSA-N 2 0 222.336 0.946 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC000226539951 632408292 /nfs/dbraw/zinc/40/82/92/632408292.db2.gz VYXREODAAHPIOT-CMPLNLGQSA-N 2 0 222.336 0.632 20 0 BCADRP CC[NH2+]CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000309503930 632432505 /nfs/dbraw/zinc/43/25/05/632432505.db2.gz VJXQEBSRKFNSFV-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP Cc1cccc([C@@H](C)NC(C[NH3+])C[NH3+])c1 ZINC000309509252 632432883 /nfs/dbraw/zinc/43/28/83/632432883.db2.gz WVYHHTIESPQYDB-SNVBAGLBSA-N 2 0 207.321 0.932 20 0 BCADRP C1=CC[C@@H]2C[N@@H+](C[C@@H]3CNCCO3)C[C@@H]2C1 ZINC000309516027 632435542 /nfs/dbraw/zinc/43/55/42/632435542.db2.gz RMXKWKWCMXDSFU-XQQFMLRXSA-N 2 0 222.332 0.873 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000247318798 632453808 /nfs/dbraw/zinc/45/38/08/632453808.db2.gz SELZZUBWBXYPNU-GMTAPVOTSA-N 2 0 225.336 0.372 20 0 BCADRP COCC[C@@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000052790779 632489299 /nfs/dbraw/zinc/48/92/99/632489299.db2.gz OHIOXEVTYRWWJG-SNVBAGLBSA-N 2 0 245.367 0.054 20 0 BCADRP C[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1C[NH3+] ZINC000253188648 632566529 /nfs/dbraw/zinc/56/65/29/632566529.db2.gz JXGBKYYYKAHPQG-GMTAPVOTSA-N 2 0 225.336 0.134 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)C[C@H]1CCC[N@@H+]1C ZINC000235262288 632591838 /nfs/dbraw/zinc/59/18/38/632591838.db2.gz JFAFQUPRWRWLRM-FRRDWIJNSA-N 2 0 225.380 0.868 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000310295470 632716820 /nfs/dbraw/zinc/71/68/20/632716820.db2.gz SLKAAWJKMFMIIV-OLZOCXBDSA-N 2 0 241.379 0.127 20 0 BCADRP [NH3+]CC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000310299749 632717028 /nfs/dbraw/zinc/71/70/28/632717028.db2.gz UCOOWBHLJSLPIX-CYBMUJFWSA-N 3 0 241.379 0.114 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000310295473 632717286 /nfs/dbraw/zinc/71/72/86/632717286.db2.gz SLKAAWJKMFMIIV-QWHCGFSZSA-N 2 0 241.379 0.127 20 0 BCADRP CCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000052042161 632781109 /nfs/dbraw/zinc/78/11/09/632781109.db2.gz KMOHXNMRNOISEK-VIFPVBQESA-N 2 0 210.325 0.605 20 0 BCADRP CCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 ZINC000052043905 632781981 /nfs/dbraw/zinc/78/19/81/632781981.db2.gz BAWCBTJQDWZQSJ-JTQLQIEISA-N 2 0 212.341 0.852 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CCCCC[NH3+] ZINC000309249411 632841051 /nfs/dbraw/zinc/84/10/51/632841051.db2.gz DKQMPNNEOFNZMV-JTQLQIEISA-N 2 0 215.341 0.605 20 0 BCADRP COCCNC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C ZINC000066245045 632859934 /nfs/dbraw/zinc/85/99/34/632859934.db2.gz ZRKFVQRGFRARTO-NSHDSACASA-N 2 0 244.383 0.513 20 0 BCADRP CC(C)[N@H+](C)CCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000066246562 632860712 /nfs/dbraw/zinc/86/07/12/632860712.db2.gz UGNPNSMINIPLQR-LLVKDONJSA-N 2 0 242.367 0.410 20 0 BCADRP COCCNC(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000066245405 632861028 /nfs/dbraw/zinc/86/10/28/632861028.db2.gz ORZKMHYDZUJZCS-UHFFFAOYSA-N 2 0 242.367 0.413 20 0 BCADRP OCCCCCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000236496141 632950563 /nfs/dbraw/zinc/95/05/63/632950563.db2.gz DZKWPKADNDPCTJ-ZDUSSCGKSA-N 2 0 244.379 0.585 20 0 BCADRP C[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C[NH2+]1 ZINC000892549488 632957940 /nfs/dbraw/zinc/95/79/40/632957940.db2.gz UFIQUWKVKVZHSI-YTWAJWBKSA-N 2 0 240.351 0.116 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062891180 633134174 /nfs/dbraw/zinc/13/41/74/633134174.db2.gz AXJCEDQNJPUVOR-ZDUSSCGKSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](C)C[NH3+])C1 ZINC000062967647 633160887 /nfs/dbraw/zinc/16/08/87/633160887.db2.gz XGEUGHHDZRMPMM-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP CC(=O)NCC[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000308180873 633191211 /nfs/dbraw/zinc/19/12/11/633191211.db2.gz HCIQQMPQIRYRHB-MNOVXSKESA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1[C@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1C ZINC000928453664 635996156 /nfs/dbraw/zinc/99/61/56/635996156.db2.gz YINPWHZUMJAXTA-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+]2C)CC[N@@H+]1C ZINC000928551842 636085037 /nfs/dbraw/zinc/08/50/37/636085037.db2.gz FGYWDFCPNRRKQS-SDDRHHMPSA-N 2 0 239.363 0.537 20 0 BCADRP Cc1cc(NC[C@@H](C)C[NH+](C)C)nc(N)[nH+]1 ZINC000309806395 633764029 /nfs/dbraw/zinc/76/40/29/633764029.db2.gz XRRXIOCBDXYYDG-MRVPVSSYSA-N 2 0 223.324 0.977 20 0 BCADRP CC[C@H](CCO)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328561549 633776649 /nfs/dbraw/zinc/77/66/49/633776649.db2.gz GRPWOVVZOJPBMC-NURVWSNCSA-N 2 0 224.348 0.733 20 0 BCADRP CC(C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001019774743 633792108 /nfs/dbraw/zinc/79/21/08/633792108.db2.gz GJXWXMSFPSHIDW-NEPJUHHUSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925511428 633851726 /nfs/dbraw/zinc/85/17/26/633851726.db2.gz MVBUKNHEQSQUCY-GMTAPVOTSA-N 2 0 235.335 0.526 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000309373086 633902688 /nfs/dbraw/zinc/90/26/88/633902688.db2.gz CHKWVWFQZYQSDP-WOPDTQHZSA-N 3 0 211.353 0.655 20 0 BCADRP C(C[NH+]1CCCCCC1)N[C@@H]1C[NH2+]CCOC1 ZINC000925525562 633903978 /nfs/dbraw/zinc/90/39/78/633903978.db2.gz IBMIODYBFLCTRW-CYBMUJFWSA-N 2 0 241.379 0.440 20 0 BCADRP Cc1cn[nH]c1C[NH2+]CCOCC[NH+](C)C ZINC000309913819 633934074 /nfs/dbraw/zinc/93/40/74/633934074.db2.gz OFWKPUBXHDXOKK-UHFFFAOYSA-N 2 0 226.324 0.386 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000309553571 633952927 /nfs/dbraw/zinc/95/29/27/633952927.db2.gz LJIFWJQFUQHVNT-JTQLQIEISA-N 2 0 213.325 0.359 20 0 BCADRP COCC[N@@H+]1CC[C@@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925558322 634032749 /nfs/dbraw/zinc/03/27/49/634032749.db2.gz SYWWMOKYMBSRQO-NEPJUHHUSA-N 2 0 241.379 0.437 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000310295475 634107648 /nfs/dbraw/zinc/10/76/48/634107648.db2.gz SLKAAWJKMFMIIV-STQMWFEESA-N 2 0 241.379 0.127 20 0 BCADRP C[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925611183 634151013 /nfs/dbraw/zinc/15/10/13/634151013.db2.gz BHCYVBVHHINFTB-OPRDCNLKSA-N 2 0 200.326 0.863 20 0 BCADRP CCC[N@@H+]1CC[C@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925613439 634151960 /nfs/dbraw/zinc/15/19/60/634151960.db2.gz RBIXMVCCFWZBBQ-OLZOCXBDSA-N 2 0 241.379 0.296 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCO ZINC000925654744 634215559 /nfs/dbraw/zinc/21/55/59/634215559.db2.gz CKGLEVXLLQLTKB-ZYANWLCNSA-N 2 0 212.337 0.864 20 0 BCADRP COC[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925661324 634225427 /nfs/dbraw/zinc/22/54/27/634225427.db2.gz DCZOGMDAEHXGDU-DCAQKATOSA-N 2 0 230.352 0.489 20 0 BCADRP COC[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925661325 634226751 /nfs/dbraw/zinc/22/67/51/634226751.db2.gz DCZOGMDAEHXGDU-MXWKQRLJSA-N 2 0 230.352 0.489 20 0 BCADRP Cn1nncc1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925674610 634259247 /nfs/dbraw/zinc/25/92/47/634259247.db2.gz SJQWVZNEXPEPTE-VHSXEESVSA-N 2 0 237.351 0.811 20 0 BCADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CNC(=O)C2)C[C@@H]([NH3+])C1 ZINC000925685564 634300171 /nfs/dbraw/zinc/30/01/71/634300171.db2.gz LDFYDGNFOPEUNH-AXFHLTTASA-N 2 0 239.363 0.618 20 0 BCADRP C[NH+](C)[C@@H]1[C@H]2CN(CC[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC000931278360 634303363 /nfs/dbraw/zinc/30/33/63/634303363.db2.gz AAOWVWNKCPNLNC-MQYQWHSLSA-N 2 0 237.391 0.963 20 0 BCADRP C1[NH2+][C@H]2[C@H](N[C@@H]3CCC[NH2+]C3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000925688787 634305885 /nfs/dbraw/zinc/30/58/85/634305885.db2.gz FQGSPPAARJIYNN-ASHHDVGLSA-N 2 0 221.348 0.324 20 0 BCADRP C[C@@H]([NH3+])[C@@H](NC1C[NH2+]C1)c1ccccc1 ZINC000925690501 634313932 /nfs/dbraw/zinc/31/39/32/634313932.db2.gz GPVIGSLOTPOGIK-BXKDBHETSA-N 2 0 205.305 0.636 20 0 BCADRP CC[NH2+]CCCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925691158 634315957 /nfs/dbraw/zinc/31/59/57/634315957.db2.gz LYYOCFNUQQXDCQ-JZRPKSSGSA-N 2 0 223.364 0.572 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925693062 634324009 /nfs/dbraw/zinc/32/40/09/634324009.db2.gz NYZULJNCAWEFSW-WGSKYGEUSA-N 2 0 235.375 0.700 20 0 BCADRP C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@@H]1CCC[NH2+]C1 ZINC000925693597 634329925 /nfs/dbraw/zinc/32/99/25/634329925.db2.gz PRIWKSCLHWKLJH-MXTYMHHPSA-N 2 0 249.402 0.961 20 0 BCADRP [NH3+][C@@H]1C[C@H](NC[C@@H]2CCCC[NH2+]2)C12CCC2 ZINC000925694099 634331213 /nfs/dbraw/zinc/33/12/13/634331213.db2.gz QSVORVHZDCPRBI-TUAOUCFPSA-N 2 0 223.364 0.988 20 0 BCADRP CC(C)C[C@H](C[NH3+])N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925694801 634341212 /nfs/dbraw/zinc/34/12/12/634341212.db2.gz TXVRFBVAFJBRMY-VPCRRHSYSA-N 2 0 237.391 0.946 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925696202 634351678 /nfs/dbraw/zinc/35/16/78/634351678.db2.gz YCFQDENEAHNUGM-FIQHERPVSA-N 2 0 223.364 0.973 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925696201 634352139 /nfs/dbraw/zinc/35/21/39/634352139.db2.gz YCFQDENEAHNUGM-BJDJZHNGSA-N 2 0 223.364 0.973 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925696099 634352561 /nfs/dbraw/zinc/35/25/61/634352561.db2.gz ZISSUDMIYBKXAV-AYLPWXGPSA-N 2 0 223.364 1.000 20 0 BCADRP C[NH2+]CCCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925695941 634352583 /nfs/dbraw/zinc/35/25/83/634352583.db2.gz YVSJNPCNWGQQCO-NGDQXYMTSA-N 2 0 209.337 0.182 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000925697016 634358650 /nfs/dbraw/zinc/35/86/50/634358650.db2.gz CVRHBTPUEDPIBR-VFPQWFPESA-N 3 0 223.364 0.701 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CNCCOC1 ZINC000925698146 634361583 /nfs/dbraw/zinc/36/15/83/634361583.db2.gz CKPDSECHBACOAP-GHMZBOCLSA-N 3 0 215.341 0.082 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925698132 634362232 /nfs/dbraw/zinc/36/22/32/634362232.db2.gz CDPBVVOKNNFBCA-YDQFZURESA-N 2 0 235.375 0.842 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CNCCOC1 ZINC000925698150 634363220 /nfs/dbraw/zinc/36/32/20/634363220.db2.gz CKPDSECHBACOAP-WDEREUQCSA-N 3 0 215.341 0.082 20 0 BCADRP C(N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1C[NH2+]C1 ZINC000925699332 634366697 /nfs/dbraw/zinc/36/66/97/634366697.db2.gz ODLKXBOCVIUWED-ZIAGYGMSSA-N 2 0 237.391 0.964 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000236702740 634368590 /nfs/dbraw/zinc/36/85/90/634368590.db2.gz IMFKOAALTULNCO-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]C[C@H](N[C@H]1C[C@H]([NH3+])C12CCC2)C1CC1 ZINC000925700003 634368632 /nfs/dbraw/zinc/36/86/32/634368632.db2.gz QWGOWYKFFALCLY-DCAQKATOSA-N 2 0 209.337 0.583 20 0 BCADRP [NH3+]C1(CN[C@@H]2CC[NH2+]C23CCC3)CCC1 ZINC000925700589 634370547 /nfs/dbraw/zinc/37/05/47/634370547.db2.gz VFZOQCXYRVLNEZ-SNVBAGLBSA-N 2 0 209.337 0.742 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424031211 635153266 /nfs/dbraw/zinc/15/32/66/635153266.db2.gz SIVYQNFKXKVZKM-DGCLKSJQSA-N 2 0 239.363 0.729 20 0 BCADRP CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCOC1 ZINC000925782357 635278498 /nfs/dbraw/zinc/27/84/98/635278498.db2.gz JNOLGCZTRIICAX-WRWGMCAJSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925792809 635324336 /nfs/dbraw/zinc/32/43/36/635324336.db2.gz WGTSYXUZYGCZGY-WYUUTHIRSA-N 2 0 211.353 0.382 20 0 BCADRP CO[C@@H](C)[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925792934 635324422 /nfs/dbraw/zinc/32/44/22/635324422.db2.gz XCKISMFDRQGOOS-RCWTZXSCSA-N 2 0 200.326 0.855 20 0 BCADRP [NH3+]C1CCN(CC[NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000925817410 635386766 /nfs/dbraw/zinc/38/67/66/635386766.db2.gz RNDSNJQXUDWWJT-ZDUSSCGKSA-N 3 0 240.395 0.141 20 0 BCADRP [NH3+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250818509 635700841 /nfs/dbraw/zinc/70/08/41/635700841.db2.gz FTLOPCVADYFDOA-AXFHLTTASA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](CNC1=[NH+]CCN1C)[NH+]1CCCCC1 ZINC000304589920 635945297 /nfs/dbraw/zinc/94/52/97/635945297.db2.gz RVOXFQAEKMXETB-LLVKDONJSA-N 2 0 224.352 0.752 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000928442527 635945829 /nfs/dbraw/zinc/94/58/29/635945829.db2.gz BBJYCNHTGKXRDM-MNOVXSKESA-N 2 0 227.352 0.535 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000928442533 635945933 /nfs/dbraw/zinc/94/59/33/635945933.db2.gz BBJYCNHTGKXRDM-WDEREUQCSA-N 2 0 227.352 0.535 20 0 BCADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000665282721 636103525 /nfs/dbraw/zinc/10/35/25/636103525.db2.gz AKWFMPXIGUEEQP-UMSGYPCISA-N 2 0 243.395 0.702 20 0 BCADRP CCC[NH+]1CCC(CNC(=O)[C@@H](C)C[NH3+])CC1 ZINC000262329202 636230140 /nfs/dbraw/zinc/23/01/40/636230140.db2.gz GKZYUKOGEKHXJS-NSHDSACASA-N 2 0 241.379 0.819 20 0 BCADRP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)N(C)C ZINC000054243369 636242612 /nfs/dbraw/zinc/24/26/12/636242612.db2.gz KCDIIBFCECISEQ-NSHDSACASA-N 3 0 213.369 0.868 20 0 BCADRP C[C@@H]1OCC[C@H]1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154696 636573795 /nfs/dbraw/zinc/57/37/95/636573795.db2.gz WHDKSXOFYGADKI-ZDEQEGDKSA-N 2 0 224.348 0.953 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC000987529989 636652238 /nfs/dbraw/zinc/65/22/38/636652238.db2.gz FRGVHNIWJRCWDF-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000323014941 636888879 /nfs/dbraw/zinc/88/88/79/636888879.db2.gz IJFYXFYNIACYGG-WAAKLRNESA-N 2 0 239.363 0.726 20 0 BCADRP CON1CCC([NH2+]CCCC[NH+](C)C)CC1 ZINC000323067793 636895796 /nfs/dbraw/zinc/89/57/96/636895796.db2.gz OHTUSVCIYGDIOC-UHFFFAOYSA-N 2 0 229.368 0.944 20 0 BCADRP CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000990279624 636927337 /nfs/dbraw/zinc/92/73/37/636927337.db2.gz XVFDSROCCYHFON-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP CON1CCC([NH2+]CCOCC[NH+](C)C)CC1 ZINC000323375742 636927546 /nfs/dbraw/zinc/92/75/46/636927546.db2.gz OFQYTOUGVSDSMA-UHFFFAOYSA-N 2 0 245.367 0.180 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C[C@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000866702729 636931651 /nfs/dbraw/zinc/93/16/51/636931651.db2.gz AIOAKNGIXHYMDR-XQQFMLRXSA-N 2 0 223.364 0.622 20 0 BCADRP CNC(=O)CN1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866706019 636933732 /nfs/dbraw/zinc/93/37/32/636933732.db2.gz DZJAMMFZXOFIMM-LBPRGKRZSA-N 2 0 227.352 0.429 20 0 BCADRP CC[C@@H]1COC[C@@H]1[NH2+]CCC[N@H+](C)CCOC ZINC000924654096 636978477 /nfs/dbraw/zinc/97/84/77/636978477.db2.gz OZMNWPAOMLGCOL-OLZOCXBDSA-N 2 0 244.379 0.969 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1COCCO1 ZINC000924723861 637035677 /nfs/dbraw/zinc/03/56/77/637035677.db2.gz MPKMIVVJGYHLOG-FXJUQPSGSA-N 2 0 240.347 0.332 20 0 BCADRP COC[C@H](O)CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902368217 637296675 /nfs/dbraw/zinc/29/66/75/637296675.db2.gz FNCBAOFOMHBYTR-NWDGAFQWSA-N 2 0 244.379 0.752 20 0 BCADRP COC[C@H](O)CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902368219 637297281 /nfs/dbraw/zinc/29/72/81/637297281.db2.gz FNCBAOFOMHBYTR-VXGBXAGGSA-N 2 0 244.379 0.752 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2(CO)COC2)C1 ZINC000902363470 637300576 /nfs/dbraw/zinc/30/05/76/637300576.db2.gz VKQWQIPFCSRJSY-LLVKDONJSA-N 2 0 242.363 0.363 20 0 BCADRP C[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902363912 637301260 /nfs/dbraw/zinc/30/12/60/637301260.db2.gz PGXAYNXRSRCPBG-VHSXEESVSA-N 2 0 200.326 0.735 20 0 BCADRP NOCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000902419630 637303874 /nfs/dbraw/zinc/30/38/74/637303874.db2.gz RZXKMBWWZLTMBI-QWRGUYRKSA-N 2 0 213.325 0.483 20 0 BCADRP CCO[C@@H]1CN(C[C@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000903461860 637362167 /nfs/dbraw/zinc/36/21/67/637362167.db2.gz YWQKLZXTQXVTGS-IJLUTSLNSA-N 2 0 227.352 0.034 20 0 BCADRP CC1(C)C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1N ZINC000903559640 637368914 /nfs/dbraw/zinc/36/89/14/637368914.db2.gz AIQGTDUUIXIASV-VWYCJHECSA-N 2 0 211.353 0.783 20 0 BCADRP [NH3+][C@H]1CCCN(C[C@@H]2C[C@]23CCOC3)C1 ZINC000903551321 637371539 /nfs/dbraw/zinc/37/15/39/637371539.db2.gz FHGVDZOGHXMAHV-SRVKXCTJSA-N 2 0 210.321 0.836 20 0 BCADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCCOCC1 ZINC000903722924 637378810 /nfs/dbraw/zinc/37/88/10/637378810.db2.gz QQFFHVIADWKXFK-OLZOCXBDSA-N 2 0 240.347 0.477 20 0 BCADRP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+]1CCSCC1 ZINC000903722969 637380023 /nfs/dbraw/zinc/38/00/23/637380023.db2.gz FNHDMYKARHWYGX-VXGBXAGGSA-N 2 0 242.388 0.804 20 0 BCADRP CC(C)(C)[NH2+]CCN[C@H]1C[NH2+]CC1(C)C ZINC000904462614 637406060 /nfs/dbraw/zinc/40/60/60/637406060.db2.gz XJWGJVJCMJCATN-JTQLQIEISA-N 2 0 213.369 0.962 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1NC[C@H]([NH3+])CC(F)F ZINC000904462247 637406271 /nfs/dbraw/zinc/40/62/71/637406271.db2.gz SMRXLMAWZFXPDS-HTQZYQBOSA-N 2 0 221.295 0.557 20 0 BCADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2C[NH2+]CC2(C)C)CC[NH2+]1 ZINC000904461392 637406686 /nfs/dbraw/zinc/40/66/86/637406686.db2.gz IXIXJAKCWSOUFG-GRYCIOLGSA-N 3 0 225.380 0.962 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000904462298 637406849 /nfs/dbraw/zinc/40/68/49/637406849.db2.gz UFMFGPPWLCCEQD-DGCLKSJQSA-N 2 0 225.380 0.964 20 0 BCADRP [NH3+]C1(CNCc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000904445611 637414875 /nfs/dbraw/zinc/41/48/75/637414875.db2.gz XSCPCCQTMZZLTK-UHFFFAOYSA-N 2 0 237.372 0.975 20 0 BCADRP NOCCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000904455887 637416439 /nfs/dbraw/zinc/41/64/39/637416439.db2.gz AWMOAEHQUAJDMS-UHFFFAOYSA-N 2 0 227.352 0.731 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1NC[C@]1(C)CC[NH2+]C1 ZINC000904461199 637420450 /nfs/dbraw/zinc/42/04/50/637420450.db2.gz GRVRWKCWQJKWPA-ZYHUDNBSSA-N 2 0 211.353 0.574 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000904916723 637522446 /nfs/dbraw/zinc/52/24/46/637522446.db2.gz JFQUSWYCKCKKDO-VXGBXAGGSA-N 2 0 229.368 0.994 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000904931944 637534479 /nfs/dbraw/zinc/53/44/79/637534479.db2.gz RKCXHPMQYPKXLA-BXKDBHETSA-N 2 0 227.352 0.761 20 0 BCADRP C[NH+](C)CCCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905040375 637558823 /nfs/dbraw/zinc/55/88/23/637558823.db2.gz CWSGDJBAKJRVES-JTQLQIEISA-N 2 0 244.408 0.948 20 0 BCADRP CC(C)(C)[NH2+]Cc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000905057986 637590921 /nfs/dbraw/zinc/59/09/21/637590921.db2.gz BCHDFBYEAYJUHR-SNVBAGLBSA-N 2 0 237.351 0.918 20 0 BCADRP C[C@@H]([NH3+])Cn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000905058618 637592161 /nfs/dbraw/zinc/59/21/61/637592161.db2.gz JUJBOUNJXPNBCV-MRVPVSSYSA-N 2 0 211.313 0.513 20 0 BCADRP CC(C)[NH2+]Cc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000905058164 637592439 /nfs/dbraw/zinc/59/24/39/637592439.db2.gz FJEHATPQHHCIDV-NSHDSACASA-N 2 0 223.324 0.701 20 0 BCADRP CC(C)[NH2+]Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000905059876 637592883 /nfs/dbraw/zinc/59/28/83/637592883.db2.gz XVIFNGIFYDXSGJ-JTQLQIEISA-N 2 0 223.324 0.528 20 0 BCADRP CC(C)(C)[NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000905058030 637593288 /nfs/dbraw/zinc/59/32/88/637593288.db2.gz DCIVMZIDZNXMEC-SNVBAGLBSA-N 2 0 223.324 0.701 20 0 BCADRP C[NH+](C)CCn1cc(-c2ccc(C[NH3+])cc2)nn1 ZINC000905061100 637596199 /nfs/dbraw/zinc/59/61/99/637596199.db2.gz CLMVSWFIMOPGED-UHFFFAOYSA-N 2 0 245.330 0.965 20 0 BCADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905109381 637615629 /nfs/dbraw/zinc/61/56/29/637615629.db2.gz BXPWIGCYNSGZFV-MNOVXSKESA-N 2 0 230.352 0.192 20 0 BCADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905109382 637616157 /nfs/dbraw/zinc/61/61/57/637616157.db2.gz BXPWIGCYNSGZFV-QWRGUYRKSA-N 2 0 230.352 0.192 20 0 BCADRP [NH3+]C1CC(Cc2nc(C3([NH3+])CCC3)no2)C1 ZINC000905304171 637761440 /nfs/dbraw/zinc/76/14/40/637761440.db2.gz IARAFPMAJVAMFB-UHFFFAOYSA-N 2 0 222.292 0.687 20 0 BCADRP C[N@H+](C[C@H](O)CNC/C=C/Cl)C1CC1 ZINC000905707432 637891110 /nfs/dbraw/zinc/89/11/10/637891110.db2.gz JLMMIIFUGDVAPG-JYBNPQIESA-N 2 0 218.728 0.784 20 0 BCADRP Nc1ccc(Cn2cc(C[NH2+]C3CC3)nn2)cn1 ZINC000905817757 637944740 /nfs/dbraw/zinc/94/47/40/637944740.db2.gz STRCYCNBMRKRCL-UHFFFAOYSA-N 2 0 244.302 0.556 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000906092245 638052190 /nfs/dbraw/zinc/05/21/90/638052190.db2.gz WNMHTWXDLAOTFN-AXFHLTTASA-N 2 0 227.352 0.474 20 0 BCADRP CN(C(=O)CC1([NH3+])CCC1)c1cc(C[NH3+])ccn1 ZINC000906226453 638118625 /nfs/dbraw/zinc/11/86/25/638118625.db2.gz AFAHKHZDSSSUPN-UHFFFAOYSA-N 2 0 248.330 0.775 20 0 BCADRP [NH3+]C1CC([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000906511453 638183210 /nfs/dbraw/zinc/18/32/10/638183210.db2.gz UMEQJHZTDMARCB-UHFFFAOYSA-N 3 0 231.343 0.912 20 0 BCADRP [NH3+]C1CC(NCc2nc3c(s2)C[NH2+]CC3)C1 ZINC000906510576 638183773 /nfs/dbraw/zinc/18/37/73/638183773.db2.gz MECHMBRNBGOYQQ-UHFFFAOYSA-N 2 0 238.360 0.368 20 0 BCADRP COC(=O)N1CCC([NH2+][C@H]2C[C@H]([NH3+])C2)CC1 ZINC000906518433 638187179 /nfs/dbraw/zinc/18/71/79/638187179.db2.gz NNYIOZNWWVTXRK-CZMCAQCFSA-N 2 0 227.308 0.297 20 0 BCADRP [NH3+]Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1 ZINC000906518556 638187886 /nfs/dbraw/zinc/18/78/86/638187886.db2.gz RPMISCDVHIEZNP-HAQNSBGRSA-N 3 0 205.305 0.725 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)[C@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000910263947 639396756 /nfs/dbraw/zinc/39/67/56/639396756.db2.gz BOFPDFFIFNEBRZ-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP C[NH2+]C1(C(=O)N2CCC[C@@H]([NH3+])C2)CCC1 ZINC000911618475 639681564 /nfs/dbraw/zinc/68/15/64/639681564.db2.gz AYFUDFMLKSGNTH-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)C23CCC(CC2)[NH2+]3)C1 ZINC000911621748 639682983 /nfs/dbraw/zinc/68/29/83/639682983.db2.gz ALTJLIRAZTUHMO-BMQDGWLCSA-N 2 0 223.320 0.221 20 0 BCADRP C[NH+](C)C1(C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000911620307 639683264 /nfs/dbraw/zinc/68/32/64/639683264.db2.gz PIURILIDLCSUPL-VIFPVBQESA-N 2 0 211.309 0.030 20 0 BCADRP C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911620056 639683824 /nfs/dbraw/zinc/68/38/24/639683824.db2.gz PAKMFVOTARARCR-VHSXEESVSA-N 2 0 236.319 0.538 20 0 BCADRP [NH3+]CCCSCCC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911625804 639687724 /nfs/dbraw/zinc/68/77/24/639687724.db2.gz YZXAMHVEWLVOME-SNVBAGLBSA-N 2 0 245.392 0.408 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)c2ccccc2C[NH3+])C1 ZINC000911659576 639693192 /nfs/dbraw/zinc/69/31/92/639693192.db2.gz CVHKZDHQQJWBNC-NSHDSACASA-N 2 0 233.315 0.579 20 0 BCADRP O=C(NCC1CC[NH2+]CC1)C12CCC(CC1)[NH2+]2 ZINC000911671737 639696803 /nfs/dbraw/zinc/69/68/03/639696803.db2.gz BEHGIJPWNSVLHT-UHFFFAOYSA-N 2 0 237.347 0.387 20 0 BCADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000911671722 639697522 /nfs/dbraw/zinc/69/75/22/639697522.db2.gz AOCFJYVYLVUOSC-ZYHUDNBSSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]C1CC(C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000911646796 639698929 /nfs/dbraw/zinc/69/89/29/639698929.db2.gz ASDQJLWTDGGIQN-UHFFFAOYSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911672380 639700172 /nfs/dbraw/zinc/70/01/72/639700172.db2.gz DDXINERUTZRZMW-YPMHNXCESA-N 2 0 241.379 0.866 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12 ZINC000911648015 639701996 /nfs/dbraw/zinc/70/19/96/639701996.db2.gz MCPVCMVOILUFDN-QJPTWQEYSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1[NH2+]CCn2c(C(=O)N3CC[NH2+]CC3)ccc21 ZINC000911647293 639702462 /nfs/dbraw/zinc/70/24/62/639702462.db2.gz ZDFYVLINVRSBFF-JTQLQIEISA-N 2 0 248.330 0.198 20 0 BCADRP C[C@]1(C(=O)Nc2cccc(C[NH3+])c2)C[C@H](O)C[NH2+]1 ZINC000911649538 639704237 /nfs/dbraw/zinc/70/42/37/639704237.db2.gz VCCWLLAFZOJVMV-WCQYABFASA-N 2 0 249.314 0.197 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911652384 639709315 /nfs/dbraw/zinc/70/93/15/639709315.db2.gz PWRSKOURODOWBG-IVZWLZJFSA-N 2 0 213.325 0.310 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@](C)(C[NH3+])CC(C)C)C1 ZINC000911654942 639709333 /nfs/dbraw/zinc/70/93/33/639709333.db2.gz DKTCOTJJGLBTTG-YPMHNXCESA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911654944 639710464 /nfs/dbraw/zinc/71/04/64/639710464.db2.gz DOPYYMNGLGIIEB-MXWKQRLJSA-N 2 0 225.336 0.052 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000911656366 639711325 /nfs/dbraw/zinc/71/13/25/639711325.db2.gz LVJDXKLFVSLYAI-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000911656272 639711453 /nfs/dbraw/zinc/71/14/53/639711453.db2.gz MOJKMZKUGPEOKA-CYBMUJFWSA-N 2 0 241.379 0.819 20 0 BCADRP C[NH2+]CCCCC(=O)N[C@H]1CCC[NH2+]C1 ZINC000911672640 639713959 /nfs/dbraw/zinc/71/39/59/639713959.db2.gz FNFIXZQKVIKBKR-JTQLQIEISA-N 2 0 213.325 0.244 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000911657566 639715163 /nfs/dbraw/zinc/71/51/63/639715163.db2.gz VYZNZUJUPOUNJT-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C[C@@H]([NH3+])CCSC)C1 ZINC000911657052 639715724 /nfs/dbraw/zinc/71/57/24/639715724.db2.gz RLJPYKMENXSHIT-VHSXEESVSA-N 2 0 245.392 0.277 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911676126 639717018 /nfs/dbraw/zinc/71/70/18/639717018.db2.gz HEVMVPPYCOMXIO-SECBINFHSA-N 2 0 215.341 0.476 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911682290 639723057 /nfs/dbraw/zinc/72/30/57/639723057.db2.gz AHIVFUGCMPJTMN-DBIOUOCHSA-N 2 0 225.336 0.310 20 0 BCADRP CC[NH2+]CCCNC(=O)C1CC([NH2+]C)C1 ZINC000911684982 639726240 /nfs/dbraw/zinc/72/62/40/639726240.db2.gz JOKQQIGOQOTYST-UHFFFAOYSA-N 2 0 213.325 0.100 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000911689007 639729194 /nfs/dbraw/zinc/72/91/94/639729194.db2.gz YHPJJLQUSAKHLN-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)N(C)C1CC[NH2+]CC1 ZINC000911692589 639729236 /nfs/dbraw/zinc/72/92/36/639729236.db2.gz TWGDYTMGJIKDGM-ZYHUDNBSSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]C1(C(=O)NCC2CC[NH2+]CC2)CCC1 ZINC000911673248 639736281 /nfs/dbraw/zinc/73/62/81/639736281.db2.gz TUJLFLRYJRCTSH-UHFFFAOYSA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)C23CCC(CC2)[NH2+]3)C1 ZINC000911712408 639736846 /nfs/dbraw/zinc/73/68/46/639736846.db2.gz AYOXUHOAMOKYTR-ZBOXLXRLSA-N 2 0 237.347 0.468 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000911712424 639737200 /nfs/dbraw/zinc/73/72/00/639737200.db2.gz BADCDKDBPJANMT-NWDGAFQWSA-N 2 0 241.379 0.947 20 0 BCADRP C[NH2+]C1CC(C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000911713796 639739444 /nfs/dbraw/zinc/73/94/44/639739444.db2.gz LEMNWZAVMAKTHP-HSOILSAZSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911720886 639742704 /nfs/dbraw/zinc/74/27/04/639742704.db2.gz JQGLEGRYQHRFDP-IRCOFANPSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@H](NC(=O)CC1CC([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000911721218 639742939 /nfs/dbraw/zinc/74/29/39/639742939.db2.gz UJPYWAUBUTWVET-VOBJUBJWSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH2+]C1(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CCC1 ZINC000911719749 639743231 /nfs/dbraw/zinc/74/32/31/639743231.db2.gz OUDWGLZDTCQVAJ-QWRGUYRKSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000911722416 639744951 /nfs/dbraw/zinc/74/49/51/639744951.db2.gz RTIPJMZZHOETLP-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH+](C)C1(C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000911724812 639750942 /nfs/dbraw/zinc/75/09/42/639750942.db2.gz GIJQUTXCMKBJAL-UHFFFAOYSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000911724831 639752569 /nfs/dbraw/zinc/75/25/69/639752569.db2.gz GVVDUABVUDPENU-NTZNESFSSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+]C1CCC(NC(=O)C23CCC(CC2)[NH2+]3)CC1 ZINC000911726726 639753791 /nfs/dbraw/zinc/75/37/91/639753791.db2.gz GSJMIYQLSSPXHW-UHFFFAOYSA-N 2 0 237.347 0.657 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911705740 639758323 /nfs/dbraw/zinc/75/83/23/639758323.db2.gz BVYCLPVAPIIILV-USZNOCQGSA-N 2 0 237.347 0.039 20 0 BCADRP [NH3+]Cc1ccccc1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911703423 639758548 /nfs/dbraw/zinc/75/85/48/639758548.db2.gz DMXBQGSGIKXESJ-NSHDSACASA-N 2 0 247.342 0.875 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911706120 639759731 /nfs/dbraw/zinc/75/97/31/639759731.db2.gz DEVVFBKKUYIXJM-MNOVXSKESA-N 2 0 241.379 0.866 20 0 BCADRP [NH3+]Cc1ccccc1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000911707178 639760098 /nfs/dbraw/zinc/76/00/98/639760098.db2.gz LJWIQLYVADVSPW-NSHDSACASA-N 2 0 247.342 0.956 20 0 BCADRP C[C@@H](O)[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930461390 639761158 /nfs/dbraw/zinc/76/11/58/639761158.db2.gz VXCOWRSEHALIJF-OCIKQUFWSA-N 2 0 242.363 0.285 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000911737047 639763111 /nfs/dbraw/zinc/76/31/11/639763111.db2.gz QWPDOHIZEWFPTG-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911737916 639763819 /nfs/dbraw/zinc/76/38/19/639763819.db2.gz FDNOHSHFTDKNMD-AAEUAGOBSA-N 2 0 241.379 0.805 20 0 BCADRP [NH3+][C@H](C(=O)N1CC[C@H]([NH3+])C1)C1CCCCCC1 ZINC000911739472 639766483 /nfs/dbraw/zinc/76/64/83/639766483.db2.gz WJTUXZPAEYRNAE-RYUDHWBXSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000911741134 639768472 /nfs/dbraw/zinc/76/84/72/639768472.db2.gz PYBBXAUYFLMZPJ-KXUCPTDWSA-N 2 0 213.325 0.086 20 0 BCADRP CC[NH2+]CCNC(=O)CCCC[NH2+]C ZINC000911749984 639774955 /nfs/dbraw/zinc/77/49/55/639774955.db2.gz CSOJGQNHVILTIJ-UHFFFAOYSA-N 2 0 201.314 0.102 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000911752423 639779342 /nfs/dbraw/zinc/77/93/42/639779342.db2.gz OFSYEHXZOAWSFP-ZDUSSCGKSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000911752108 639779699 /nfs/dbraw/zinc/77/96/99/639779699.db2.gz JZXKVEZGVDZCTP-GXSJLCMTSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911752646 639781112 /nfs/dbraw/zinc/78/11/12/639781112.db2.gz XJZXHWLUBRAABE-VHSXEESVSA-N 2 0 236.319 0.457 20 0 BCADRP [NH3+]CCCSCCC(=O)NCC[NH2+]C1CC1 ZINC000911753085 639781173 /nfs/dbraw/zinc/78/11/73/639781173.db2.gz YLLBWIJIGYPGLT-UHFFFAOYSA-N 2 0 245.392 0.327 20 0 BCADRP C[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911752648 639781319 /nfs/dbraw/zinc/78/13/19/639781319.db2.gz XJZXHWLUBRAABE-ZJUUUORDSA-N 2 0 236.319 0.457 20 0 BCADRP C[NH2+]CCCCC(=O)NCC[NH2+]C1CC1 ZINC000911753410 639781370 /nfs/dbraw/zinc/78/13/70/639781370.db2.gz AQDNAPANVROAOZ-UHFFFAOYSA-N 2 0 213.325 0.244 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)C[NH3+] ZINC000911762478 639788126 /nfs/dbraw/zinc/78/81/26/639788126.db2.gz OYMFRIIPDNICEY-JTQLQIEISA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911733892 639788655 /nfs/dbraw/zinc/78/86/55/639788655.db2.gz DVDFRVGJRAFFDD-OUAUKWLOSA-N 2 0 225.336 0.039 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911763528 639791843 /nfs/dbraw/zinc/79/18/43/639791843.db2.gz JFEQWGWPIIBZRA-GRYCIOLGSA-N 2 0 239.363 0.346 20 0 BCADRP CCCN(C(=O)C1CC([NH2+]C)C1)[C@@H]1CC[NH2+]C1 ZINC000911769900 639793829 /nfs/dbraw/zinc/79/38/29/639793829.db2.gz ZUEJPRFDKJQDSC-HTAVTVPLSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)C2([NH2+]C)CCC2)C1 ZINC000911773251 639795425 /nfs/dbraw/zinc/79/54/25/639795425.db2.gz BYHHSADFPBDKAW-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)C[C@H]([NH3+])C(C)(C)C)C1 ZINC000911774753 639795718 /nfs/dbraw/zinc/79/57/18/639795718.db2.gz MRSMPOYFHZZJIU-QWRGUYRKSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000911773085 639796449 /nfs/dbraw/zinc/79/64/49/639796449.db2.gz AKIGAAKHYAYZSL-SDDRHHMPSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)C[C@H]([NH3+])CC(C)C)C1 ZINC000911777869 639797974 /nfs/dbraw/zinc/79/79/74/639797974.db2.gz MEZZRIKTUKKFPG-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)CC1 ZINC000911785990 639804263 /nfs/dbraw/zinc/80/42/63/639804263.db2.gz BEQXXJJOHJBSFJ-GWCFXTLKSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+]C1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000911787222 639805377 /nfs/dbraw/zinc/80/53/77/639805377.db2.gz OVNRPAKDUBMUCQ-UHFFFAOYSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CC2)C[C@H](C)[NH2+]1 ZINC000911795026 639808783 /nfs/dbraw/zinc/80/87/83/639808783.db2.gz GXVHWKBZAFHNIE-UWVGGRQHSA-N 2 0 225.336 0.289 20 0 BCADRP C[C@H](O)[C@@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000930600736 639816811 /nfs/dbraw/zinc/81/68/11/639816811.db2.gz AOXFBZVVUUFICA-RWMBFGLXSA-N 2 0 242.363 0.146 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(C)(C)C)C[C@@H](C)[NH2+]1 ZINC000911796277 639818799 /nfs/dbraw/zinc/81/87/99/639818799.db2.gz NGMCXLSPOJGLCT-GMTAPVOTSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)C[C@@H](C)[NH2+]1 ZINC000911799600 639820638 /nfs/dbraw/zinc/82/06/38/639820638.db2.gz IPXOOIKZHOOEKT-MOCCIAMBSA-N 2 0 237.347 0.179 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)C[C@@H](C)[NH2+]1 ZINC000911799572 639821466 /nfs/dbraw/zinc/82/14/66/639821466.db2.gz HURDOEDGENQBBQ-DCQANWLSSA-N 2 0 237.347 0.195 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000911800116 639822074 /nfs/dbraw/zinc/82/20/74/639822074.db2.gz NFDZFFYKDWTHLF-IJLUTSLNSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000911800118 639822220 /nfs/dbraw/zinc/82/22/20/639822220.db2.gz NFDZFFYKDWTHLF-SDDRHHMPSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000911800121 639823147 /nfs/dbraw/zinc/82/31/47/639823147.db2.gz NFDZFFYKDWTHLF-TUAOUCFPSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)CC1CC([NH3+])C1 ZINC000911811464 639833484 /nfs/dbraw/zinc/83/34/84/639833484.db2.gz AKCRSODRXFPJDZ-VQXHTEKXSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000911813171 639835829 /nfs/dbraw/zinc/83/58/29/639835829.db2.gz WJQOQEGAFHMCRX-NEPJUHHUSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000911819473 639836322 /nfs/dbraw/zinc/83/63/22/639836322.db2.gz DMJYOZHMCQQABX-WOPDTQHZSA-N 2 0 241.379 0.946 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])C1CCCCC1 ZINC000911820484 639836355 /nfs/dbraw/zinc/83/63/55/639836355.db2.gz RTVNHZFCIWKZKY-UTUOFQBUSA-N 2 0 239.363 0.605 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])[C@@H]1C[NH3+] ZINC000911825969 639837211 /nfs/dbraw/zinc/83/72/11/639837211.db2.gz PGDUAVDGAAAHRQ-LNFKQOIKSA-N 2 0 225.336 0.167 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])C1 ZINC000911825939 639837751 /nfs/dbraw/zinc/83/77/51/639837751.db2.gz PCOPPEHCRVPGOX-YYJSSNLHSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)c1ccccc1C[NH3+] ZINC000911828103 639839642 /nfs/dbraw/zinc/83/96/42/639839642.db2.gz ZHTSYOVYUCWBIT-GFCCVEGCSA-N 2 0 235.331 0.858 20 0 BCADRP C[C@H]1CCCN(C(=O)CC2CC([NH3+])C2)[C@@H]1C[NH3+] ZINC000911828231 639840639 /nfs/dbraw/zinc/84/06/39/639840639.db2.gz YUTHYIBFEZFKMF-WNYYMSAVSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)NC[C@H]([NH3+])C(C)C ZINC000911830066 639840828 /nfs/dbraw/zinc/84/08/28/639840828.db2.gz OFKWIYQBNBZTAD-QWRGUYRKSA-N 2 0 229.368 0.849 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000911828302 639841351 /nfs/dbraw/zinc/84/13/51/639841351.db2.gz ZRACBEAQAZIKLN-NQBHXWOUSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000911830688 639842224 /nfs/dbraw/zinc/84/22/24/639842224.db2.gz QTYLLCBXCFFHKD-OUAUKWLOSA-N 2 0 227.352 0.603 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911832227 639844130 /nfs/dbraw/zinc/84/41/30/639844130.db2.gz GXLLIMWDFRRMFJ-JMJZKYOTSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911834308 639845210 /nfs/dbraw/zinc/84/52/10/639845210.db2.gz PLIDTMCPENYNCY-IEBDPFPHSA-N 2 0 225.336 0.086 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911833900 639845997 /nfs/dbraw/zinc/84/59/97/639845997.db2.gz LRKABXLYPJMYSC-QWRGUYRKSA-N 2 0 227.352 0.603 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000911835862 639847335 /nfs/dbraw/zinc/84/73/35/639847335.db2.gz VGJZQIZQZBTQBB-OUAUKWLOSA-N 2 0 225.336 0.357 20 0 BCADRP C[NH2+]C1(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CCC1 ZINC000911816369 639848888 /nfs/dbraw/zinc/84/88/88/639848888.db2.gz BNXBURGCNWWLNJ-NXEZZACHSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]([NH3+])C(C)(C)C)CC[C@@H]1[NH3+] ZINC000911817290 639849797 /nfs/dbraw/zinc/84/97/97/639849797.db2.gz GRVGFQLLRWECKU-VWYCJHECSA-N 2 0 241.379 0.946 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC000911861252 639849955 /nfs/dbraw/zinc/84/99/55/639849955.db2.gz GGQOBYWXAVVURT-VXGBXAGGSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@H]1CN(C(=O)c2ccccc2C[NH3+])CC[C@@H]1[NH3+] ZINC000911817693 639850274 /nfs/dbraw/zinc/85/02/74/639850274.db2.gz JCQJRIKUTXUSAJ-GWCFXTLKSA-N 2 0 247.342 0.955 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]([NH3+])CCSC ZINC000911864614 639851870 /nfs/dbraw/zinc/85/18/70/639851870.db2.gz SGFMSNCEXFKJJX-VHSXEESVSA-N 2 0 245.392 0.277 20 0 BCADRP C[NH2+]C1(C(=O)N(C)CC(C)(C)C[NH3+])CCC1 ZINC000911864048 639852379 /nfs/dbraw/zinc/85/23/79/639852379.db2.gz GFYLDLVJHPDWIQ-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911865734 639852422 /nfs/dbraw/zinc/85/24/22/639852422.db2.gz VYIKQOBVAJYTRH-VWYCJHECSA-N 2 0 239.363 0.285 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911868986 639852853 /nfs/dbraw/zinc/85/28/53/639852853.db2.gz TXNPBQVUTVLKPP-GWCFXTLKSA-N 2 0 239.363 0.429 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH3+] ZINC000911847548 639855984 /nfs/dbraw/zinc/85/59/84/639855984.db2.gz ZCNIYOKBTCGGRJ-RKDXNWHRSA-N 2 0 231.365 0.017 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N1CC[NH2+]CC1(C)C ZINC000911847791 639856678 /nfs/dbraw/zinc/85/66/78/639856678.db2.gz QENQBNNTNZBGRQ-JTQLQIEISA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]CCCSCCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000911850715 639857878 /nfs/dbraw/zinc/85/78/78/639857878.db2.gz AGAFSHPTMJYZSK-SNVBAGLBSA-N 2 0 245.392 0.408 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH3+] ZINC000911852133 639858652 /nfs/dbraw/zinc/85/86/52/639858652.db2.gz NGBIWGJRENFLRZ-AXFHLTTASA-N 2 0 227.352 0.700 20 0 BCADRP O=C(N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911852111 639859052 /nfs/dbraw/zinc/85/90/52/639859052.db2.gz MXTAEVIDJIHCBL-OPDFLTKYSA-N 2 0 249.358 0.339 20 0 BCADRP C[C@@H]1C[N@H+](CCO)CCN1CC[NH+]1CCCC1 ZINC000930675892 639859365 /nfs/dbraw/zinc/85/93/65/639859365.db2.gz RFTBBBGBHNGVHY-CYBMUJFWSA-N 2 0 241.379 0.081 20 0 BCADRP O=C(N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C12CCC(CC1)[NH2+]2 ZINC000911855487 639859549 /nfs/dbraw/zinc/85/95/49/639859549.db2.gz GUFUZVIMHPWKPZ-JJMZSNKZSA-N 2 0 249.358 0.624 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911853123 639859859 /nfs/dbraw/zinc/85/98/59/639859859.db2.gz WZIDGBPISBMZSB-LNFKQOIKSA-N 2 0 223.320 0.077 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000911852652 639860131 /nfs/dbraw/zinc/86/01/31/639860131.db2.gz RCDSICNFANQROS-GMTAPVOTSA-N 2 0 225.336 0.182 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911878484 639865550 /nfs/dbraw/zinc/86/55/50/639865550.db2.gz HHVUVBUAZOPRSP-WHOHXGKFSA-N 2 0 239.363 0.476 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C1=CCC[NH2+]CC1 ZINC000911883251 639866657 /nfs/dbraw/zinc/86/66/57/639866657.db2.gz XUYSLTQAOXPGQM-LBPRGKRZSA-N 2 0 239.363 0.930 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911880393 639866805 /nfs/dbraw/zinc/86/68/05/639866805.db2.gz VFXMFBLEDJHOLH-ZIQFBCGOSA-N 2 0 239.363 0.603 20 0 BCADRP CC[C@@H](CO)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823255 639924822 /nfs/dbraw/zinc/92/48/22/639924822.db2.gz GSHGSEYVUUXDRT-LBPRGKRZSA-N 2 0 242.363 0.554 20 0 BCADRP CC[C@H](CO)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823254 639926152 /nfs/dbraw/zinc/92/61/52/639926152.db2.gz GSHGSEYVUUXDRT-GFCCVEGCSA-N 2 0 242.363 0.554 20 0 BCADRP CC[NH+](CC)CCCN1CC[N@H+](C)[C@H](CO)C1 ZINC000931402128 640183625 /nfs/dbraw/zinc/18/36/25/640183625.db2.gz SFCLYDXWZVLTOP-ZDUSSCGKSA-N 2 0 243.395 0.327 20 0 BCADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433893 640201726 /nfs/dbraw/zinc/20/17/26/640201726.db2.gz KPCMBWGAQYPYKG-AXFHLTTASA-N 2 0 225.336 0.134 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC(=O)N3)C[C@@H]2C1 ZINC000931441913 640201972 /nfs/dbraw/zinc/20/19/72/640201972.db2.gz QRGGFBKYSYMFMM-WOPDTQHZSA-N 2 0 237.347 0.149 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC(=O)O3)C[C@@H]2C1 ZINC000931438798 640204063 /nfs/dbraw/zinc/20/40/63/640204063.db2.gz OSRQZIUVEQYEBJ-WOPDTQHZSA-N 2 0 238.331 0.576 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3COCCO3)C[C@@H]2C1 ZINC000931439289 640205577 /nfs/dbraw/zinc/20/55/77/640205577.db2.gz TYGIBDKUHILNQP-AGIUHOORSA-N 2 0 240.347 0.285 20 0 BCADRP CC(=O)[C@@](C)(O)C[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC000931439348 640206589 /nfs/dbraw/zinc/20/65/89/640206589.db2.gz UXQSEQLVBRTCBC-AGIUHOORSA-N 2 0 240.347 0.210 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](CCn3ccnc3)C[C@@H]2C1 ZINC000931440904 640208307 /nfs/dbraw/zinc/20/83/07/640208307.db2.gz ZVDGPHPKPIXYSC-OLZOCXBDSA-N 2 0 234.347 0.767 20 0 BCADRP C[NH+](C)CC1(O)CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000931480668 640234032 /nfs/dbraw/zinc/23/40/32/640234032.db2.gz IVMGDYBATLXWEI-LBPRGKRZSA-N 2 0 242.363 0.146 20 0 BCADRP CC[C@H](CO)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931480256 640235172 /nfs/dbraw/zinc/23/51/72/640235172.db2.gz QVLYOETUPARGHT-LLVKDONJSA-N 2 0 230.352 0.146 20 0 BCADRP COCCC[NH2+]CC1CC[NH+](C)CC1 ZINC000044518339 640399963 /nfs/dbraw/zinc/39/99/63/640399963.db2.gz LORIHAGIDCRNJP-UHFFFAOYSA-N 2 0 200.326 0.954 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000044649354 640446319 /nfs/dbraw/zinc/44/63/19/640446319.db2.gz UBONEIPZTRNNFV-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP CC[NH2+]CC(=O)NCC[NH+]1CCC(C)CC1 ZINC000044651227 640448351 /nfs/dbraw/zinc/44/83/51/640448351.db2.gz CTSDSDWKNOWKIC-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726751 640461753 /nfs/dbraw/zinc/46/17/53/640461753.db2.gz QAYUKVNNXZJMGM-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)C[NH3+])[NH+]1CCCCC1 ZINC000044995413 640482007 /nfs/dbraw/zinc/48/20/07/640482007.db2.gz KYYZDIUXVXKRTB-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]([NH3+])c1cn(CC[NH+]2CCCC2)nn1 ZINC000167120963 640702254 /nfs/dbraw/zinc/70/22/54/640702254.db2.gz UHPIEVJORZHBBC-VIFPVBQESA-N 2 0 209.297 0.394 20 0 BCADRP CC[C@H](O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226328407 640747731 /nfs/dbraw/zinc/74/77/31/640747731.db2.gz YOGDIUYMJDBKRH-QWRGUYRKSA-N 2 0 200.326 0.818 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000877104318 640752968 /nfs/dbraw/zinc/75/29/68/640752968.db2.gz AAGCUHHQEPILRE-VIFPVBQESA-N 2 0 225.336 0.454 20 0 BCADRP COCC(COC)[N@@H+]1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000933731776 640754934 /nfs/dbraw/zinc/75/49/34/640754934.db2.gz AUFVZHDYKFOMFB-WCQYABFASA-N 2 0 242.363 0.531 20 0 BCADRP CCNC(=O)CC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933741910 640759815 /nfs/dbraw/zinc/75/98/15/640759815.db2.gz AXKAEFSFBUUMOD-WCQYABFASA-N 2 0 239.363 0.396 20 0 BCADRP CC[NH2+]CC(=O)NCC[N@H+](C)[C@H](C)CC ZINC000226396722 640760895 /nfs/dbraw/zinc/76/08/95/640760895.db2.gz NDNTZFZRDNKVFY-SNVBAGLBSA-N 2 0 215.341 0.442 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](CCCCCCO)C1 ZINC000226419810 640762671 /nfs/dbraw/zinc/76/26/71/640762671.db2.gz CFSBZJHIASWXBF-NSHDSACASA-N 2 0 200.326 0.820 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000059931438 640841593 /nfs/dbraw/zinc/84/15/93/640841593.db2.gz MIUKFHPBXZJCQM-LLVKDONJSA-N 2 0 225.336 0.339 20 0 BCADRP CN(C[C@H]1CCC[NH2+]1)C[C@H]1CCC[N@@H+]1C ZINC000227650064 640844411 /nfs/dbraw/zinc/84/44/11/640844411.db2.gz CXVOPWOBIXVRHM-VXGBXAGGSA-N 2 0 211.353 0.764 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC1CC[NH+](C)CC1 ZINC000060283659 640853619 /nfs/dbraw/zinc/85/36/19/640853619.db2.gz OAYRWXZUVIRCKR-LBPRGKRZSA-N 2 0 241.379 0.831 20 0 BCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228548095 640881005 /nfs/dbraw/zinc/88/10/05/640881005.db2.gz RDVMLUUHVAXUSF-IRCOFANPSA-N 2 0 228.336 0.053 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000228792430 640895188 /nfs/dbraw/zinc/89/51/88/640895188.db2.gz JXYAQWVCBCETLG-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229257053 640939665 /nfs/dbraw/zinc/93/96/65/640939665.db2.gz WFYKQKJPKCGMGT-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)CNC(=[NH2+])NCCN(C)C1CC1 ZINC000062010567 641015310 /nfs/dbraw/zinc/01/53/10/641015310.db2.gz IVKGWBIEJIJJPN-UHFFFAOYSA-N 2 0 212.341 0.851 20 0 BCADRP CCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCCC1 ZINC000062072509 641019910 /nfs/dbraw/zinc/01/99/10/641019910.db2.gz ZEHMQRJGVWJCNW-SNVBAGLBSA-N 2 0 212.341 0.852 20 0 BCADRP COC[C@H](O)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000230142869 641030212 /nfs/dbraw/zinc/03/02/12/641030212.db2.gz FRJJZRUVACICII-GFCCVEGCSA-N 2 0 230.352 0.315 20 0 BCADRP CC[NH+](CC)CCC[N@H+](CC)CCC(N)=O ZINC000230730007 641088961 /nfs/dbraw/zinc/08/89/61/641088961.db2.gz NMONXSNPQRKLRJ-UHFFFAOYSA-N 2 0 229.368 0.916 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000050464112 641154580 /nfs/dbraw/zinc/15/45/80/641154580.db2.gz XSJCZTNJSMEAGK-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP CCN(C)C(=O)[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000231847030 641207894 /nfs/dbraw/zinc/20/78/94/641207894.db2.gz JEBCWVHSGPTIQP-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](CC(=O)NC(C)(C)C[NH3+])C1CC[NH2+]CC1 ZINC000151911239 641479718 /nfs/dbraw/zinc/47/97/18/641479718.db2.gz ZWCVDOJNIJIMCU-SNVBAGLBSA-N 2 0 241.379 0.866 20 0 BCADRP CC[NH+](CC)CCNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000913831576 641493318 /nfs/dbraw/zinc/49/33/18/641493318.db2.gz QWULDWVLCMJNBJ-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000935976175 641512186 /nfs/dbraw/zinc/51/21/86/641512186.db2.gz JWORTDJPVJNNRY-RYUDHWBXSA-N 2 0 241.379 0.926 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000040673691 641535408 /nfs/dbraw/zinc/53/54/08/641535408.db2.gz PUOAKJFPYKSWLD-LLVKDONJSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH+](C)C1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000044751760 641607361 /nfs/dbraw/zinc/60/73/61/641607361.db2.gz PVKZDODGUXEUDO-UHFFFAOYSA-N 2 0 227.352 0.524 20 0 BCADRP C[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000914315614 641638167 /nfs/dbraw/zinc/63/81/67/641638167.db2.gz WDUNGMYMHYRMIR-MNOVXSKESA-N 2 0 240.351 0.084 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N)CC[N@@H+]1C ZINC000158968093 641660065 /nfs/dbraw/zinc/66/00/65/641660065.db2.gz XSBIPDHHDJXQSB-UWVGGRQHSA-N 2 0 248.330 0.876 20 0 BCADRP C[C@H](CNC(=S)NCCC[NH+](C)C)[NH+](C)C ZINC000914704849 641754564 /nfs/dbraw/zinc/75/45/64/641754564.db2.gz GCKJFWQAVVGBCZ-SNVBAGLBSA-N 2 0 246.424 0.352 20 0 BCADRP CCN1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001031260900 641866923 /nfs/dbraw/zinc/86/69/23/641866923.db2.gz WYZQOXITOQRXOS-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307940712 642351181 /nfs/dbraw/zinc/35/11/81/642351181.db2.gz NHKYRKWJFFPSFR-DJLDLDEBSA-N 2 0 240.269 0.969 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@@H](O)CC(F)(F)F ZINC000307943235 642352397 /nfs/dbraw/zinc/35/23/97/642352397.db2.gz RMEQFHYCVVNHSZ-QMMMGPOBSA-N 2 0 228.258 0.841 20 0 BCADRP [NH3+]CCOCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000647158444 642422706 /nfs/dbraw/zinc/42/27/06/642422706.db2.gz IYONUOWALDNXKJ-UHFFFAOYSA-N 2 0 248.286 0.671 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)C[NH3+] ZINC000417282730 642639917 /nfs/dbraw/zinc/63/99/17/642639917.db2.gz BBRYQDSYJCYMNC-UWVGGRQHSA-N 2 0 230.356 0.363 20 0 BCADRP CCS(=O)(=O)CC[NH2+]CC1CC[NH2+]CC1 ZINC000233819823 642697582 /nfs/dbraw/zinc/69/75/82/642697582.db2.gz JPBQQWRMZDSXKQ-UHFFFAOYSA-N 2 0 234.365 0.010 20 0 BCADRP [NH3+]CC1(CCNC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000652205337 642788767 /nfs/dbraw/zinc/78/87/67/642788767.db2.gz UZQHXSOYGWQARP-JTQLQIEISA-N 2 0 240.351 0.167 20 0 BCADRP CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000967709067 642802609 /nfs/dbraw/zinc/80/26/09/642802609.db2.gz VCQBMNOFVGHHSZ-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP COC[C@H](O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000068890898 642806709 /nfs/dbraw/zinc/80/67/09/642806709.db2.gz JQEARNAYRVIYNP-GXSJLCMTSA-N 2 0 216.325 0.053 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000068953504 642814263 /nfs/dbraw/zinc/81/42/63/642814263.db2.gz FFEIRZRZWPLYPF-NEPJUHHUSA-N 2 0 230.352 0.315 20 0 BCADRP CC[NH2+]CC1CC[NH+](C[C@@H](O)COCC)CC1 ZINC000069280286 642845242 /nfs/dbraw/zinc/84/52/42/642845242.db2.gz PQUJXIWVHUINRL-CYBMUJFWSA-N 2 0 244.379 0.705 20 0 BCADRP CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000939759644 642893012 /nfs/dbraw/zinc/89/30/12/642893012.db2.gz QQUOYUZGTVZMRO-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]([NH3+])CC(C)C ZINC000069803151 642918432 /nfs/dbraw/zinc/91/84/32/642918432.db2.gz HTNRHFSSYFLEAU-SECBINFHSA-N 2 0 201.314 0.038 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016248939 642950813 /nfs/dbraw/zinc/95/08/13/642950813.db2.gz FGTVBWVSINUSQO-NEPJUHHUSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016248940 642952536 /nfs/dbraw/zinc/95/25/36/642952536.db2.gz FGTVBWVSINUSQO-NWDGAFQWSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016248942 642953772 /nfs/dbraw/zinc/95/37/72/642953772.db2.gz FGTVBWVSINUSQO-VXGBXAGGSA-N 2 0 239.363 0.537 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(CC2OCCO2)C1 ZINC000182404283 643015444 /nfs/dbraw/zinc/01/54/44/643015444.db2.gz JUKWIWQPUIOGIF-LLVKDONJSA-N 2 0 228.336 0.633 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001018966609 643017279 /nfs/dbraw/zinc/01/72/79/643017279.db2.gz NOUYZUHILJVCHJ-NWDGAFQWSA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCF)C1)[NH+](C)C ZINC001019395068 643030540 /nfs/dbraw/zinc/03/05/40/643030540.db2.gz ZDTZLPSZFGUMAL-QWRGUYRKSA-N 2 0 245.342 0.487 20 0 BCADRP COC(OC)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000070652914 643054801 /nfs/dbraw/zinc/05/48/01/643054801.db2.gz QYDCYSJWRDQLPL-JTQLQIEISA-N 2 0 230.352 0.925 20 0 BCADRP C[NH+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC000074693482 643094778 /nfs/dbraw/zinc/09/47/78/643094778.db2.gz SJUBLNLDQADMHT-UHFFFAOYSA-N 2 0 213.325 0.150 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]([NH3+])CC1CC1)C1CC1 ZINC000304362774 643107437 /nfs/dbraw/zinc/10/74/37/643107437.db2.gz MZFTVHUFOYAKAS-NSHDSACASA-N 2 0 225.336 0.324 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC000969356750 643152709 /nfs/dbraw/zinc/15/27/09/643152709.db2.gz MKWLQRACQLVTEN-LLVKDONJSA-N 2 0 236.319 0.402 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000120610150 643239465 /nfs/dbraw/zinc/23/94/65/643239465.db2.gz GLJDCPNXNJEGNE-NWDGAFQWSA-N 2 0 239.363 0.620 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000969947152 643253649 /nfs/dbraw/zinc/25/36/49/643253649.db2.gz BEOWUEORTDUQNI-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000969955694 643256369 /nfs/dbraw/zinc/25/63/69/643256369.db2.gz RMJFZQFYTMXSOP-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001020929033 643341235 /nfs/dbraw/zinc/34/12/35/643341235.db2.gz STANTNKPTYXGFE-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000068953521 643436846 /nfs/dbraw/zinc/43/68/46/643436846.db2.gz CISVCRYDICWQSD-MNOVXSKESA-N 2 0 216.325 0.055 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000077867143 643480570 /nfs/dbraw/zinc/48/05/70/643480570.db2.gz FCMIQIMWMCPSJX-JTQLQIEISA-N 2 0 213.325 0.374 20 0 BCADRP C[C@@H](CNC(=O)C(C)(C)[NH3+])[NH+]1CCCCC1 ZINC000040924294 643493023 /nfs/dbraw/zinc/49/30/23/643493023.db2.gz BFGIYXLHJXIRTM-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970714417 643509206 /nfs/dbraw/zinc/50/92/06/643509206.db2.gz GJXWXMSFPSHIDW-NWDGAFQWSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970714436 643509249 /nfs/dbraw/zinc/50/92/49/643509249.db2.gz GJXWXMSFPSHIDW-VXGBXAGGSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H](O)C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000083676565 643541994 /nfs/dbraw/zinc/54/19/94/643541994.db2.gz IVJQTQHPVTWUNP-SNVBAGLBSA-N 2 0 200.326 0.961 20 0 BCADRP CC[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000997307786 643608208 /nfs/dbraw/zinc/60/82/08/643608208.db2.gz UWEFPYIPJQCMSG-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP C[C@H](O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086723813 643639054 /nfs/dbraw/zinc/63/90/54/643639054.db2.gz OYOHETWHOZVFMN-JTQLQIEISA-N 2 0 216.325 0.197 20 0 BCADRP CCCNC(=O)CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084221165 643650946 /nfs/dbraw/zinc/65/09/46/643650946.db2.gz XMPGSXFHLKWICO-GHMZBOCLSA-N 2 0 227.352 0.620 20 0 BCADRP CC[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000251255094 643699951 /nfs/dbraw/zinc/69/99/51/643699951.db2.gz KOFRGVZLRBKJRO-DCAQKATOSA-N 2 0 200.326 0.864 20 0 BCADRP CC[C@H](O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000085869944 643823997 /nfs/dbraw/zinc/82/39/97/643823997.db2.gz UZHABUXECFDVDV-ILDUYXDCSA-N 2 0 200.326 0.959 20 0 BCADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCO ZINC000086500853 644143594 /nfs/dbraw/zinc/14/35/94/644143594.db2.gz YPODRGLJQTVOGU-WDEREUQCSA-N 2 0 200.326 0.879 20 0 BCADRP C=CCNC(=[NH2+])NCC[NH+]1CCC(OC)CC1 ZINC000079382923 644177658 /nfs/dbraw/zinc/17/76/58/644177658.db2.gz YMYDUDKCMULUDP-UHFFFAOYSA-N 2 0 240.351 0.188 20 0 BCADRP OC[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000923004476 644228872 /nfs/dbraw/zinc/22/88/72/644228872.db2.gz FDZIICJRLYUAJT-FDYHWXHSSA-N 2 0 224.348 0.974 20 0 BCADRP CCOCC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000923283696 644308750 /nfs/dbraw/zinc/30/87/50/644308750.db2.gz XKACMPQSBHTVMB-QWHCGFSZSA-N 2 0 244.379 0.705 20 0 BCADRP CC(C)COC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000923279851 644310926 /nfs/dbraw/zinc/31/09/26/644310926.db2.gz DQVNKGZDFGDJSJ-OLZOCXBDSA-N 2 0 244.379 0.691 20 0 BCADRP [NH3+]CC1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923278031 644310994 /nfs/dbraw/zinc/31/09/94/644310994.db2.gz WAGCLNSUBVBHLJ-LBPRGKRZSA-N 3 0 239.363 0.036 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923279428 644312490 /nfs/dbraw/zinc/31/24/90/644312490.db2.gz AQKBPISKKGCBNM-UWVGGRQHSA-N 2 0 218.366 0.381 20 0 BCADRP CC(C)OCC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923279479 644312824 /nfs/dbraw/zinc/31/28/24/644312824.db2.gz CCMCKCIGQQROPY-QWHCGFSZSA-N 2 0 244.379 0.833 20 0 BCADRP [NH3+][C@H]1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923282208 644314664 /nfs/dbraw/zinc/31/46/64/644314664.db2.gz SSXPHGINAQDLQR-FOIKRFTLSA-N 2 0 223.364 0.940 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000923282520 644318037 /nfs/dbraw/zinc/31/80/37/644318037.db2.gz VIHRAFXXOPFGHY-NSHDSACASA-N 2 0 216.325 0.320 20 0 BCADRP C[NH2+]CC1CC[NH+](C[C@@H](O)CSC)CC1 ZINC000923289909 644321915 /nfs/dbraw/zinc/32/19/15/644321915.db2.gz KDWCMAVKQFPBTD-LLVKDONJSA-N 2 0 232.393 0.642 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000923290192 644322494 /nfs/dbraw/zinc/32/24/94/644322494.db2.gz VLQBYJXREZPXOM-AVGNSLFASA-N 2 0 244.379 0.833 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923289730 644322846 /nfs/dbraw/zinc/32/28/46/644322846.db2.gz LBCGEZZHODASPB-NEPJUHHUSA-N 2 0 230.352 0.709 20 0 BCADRP CCOCC[C@@H](O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000923300072 644325563 /nfs/dbraw/zinc/32/55/63/644325563.db2.gz NLLVJRZOPJPAIX-VXGBXAGGSA-N 2 0 232.368 0.737 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923294589 644332336 /nfs/dbraw/zinc/33/23/36/644332336.db2.gz KEYQKDMGEJPASZ-NEPJUHHUSA-N 2 0 239.363 0.049 20 0 BCADRP CSC[C@@H](O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000923298400 644337278 /nfs/dbraw/zinc/33/72/78/644337278.db2.gz BLZMNVNEQKRSTC-VHSXEESVSA-N 2 0 220.382 0.673 20 0 BCADRP COC[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923312492 644340891 /nfs/dbraw/zinc/34/08/91/644340891.db2.gz IJXYDNDGXPBCHW-RHYQMDGZSA-N 2 0 228.336 0.195 20 0 BCADRP COC[C@@](C)(CCO)[NH2+]CCC[NH2+]C1CC1 ZINC000923318694 644344356 /nfs/dbraw/zinc/34/43/56/644344356.db2.gz NXKBZNSUBVSISS-GFCCVEGCSA-N 2 0 230.352 0.506 20 0 BCADRP CC(C)CO[C@@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923319315 644345809 /nfs/dbraw/zinc/34/58/09/644345809.db2.gz VUUQFJMPZMPBIS-RNJOBUHISA-N 2 0 242.363 0.584 20 0 BCADRP C[C@H]1C[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)S1 ZINC000923309253 644346068 /nfs/dbraw/zinc/34/60/68/644346068.db2.gz OPHUHLKFLCJSOE-QHZLYTNSSA-N 2 0 230.377 0.663 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCS1 ZINC000923311041 644346441 /nfs/dbraw/zinc/34/64/41/644346441.db2.gz FRQSALPOVZNAKL-GHMZBOCLSA-N 2 0 242.388 0.802 20 0 BCADRP CCC1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923310782 644346605 /nfs/dbraw/zinc/34/66/05/644346605.db2.gz YNPGACLRHZRSEJ-SRVKXCTJSA-N 2 0 212.337 0.959 20 0 BCADRP C[C@@H]1C[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H](C)S1 ZINC000923309255 644347300 /nfs/dbraw/zinc/34/73/00/644347300.db2.gz OPHUHLKFLCJSOE-UVOCVTCTSA-N 2 0 230.377 0.663 20 0 BCADRP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCOC1 ZINC000923311054 644347412 /nfs/dbraw/zinc/34/74/12/644347412.db2.gz GDERFQOKEFEXQD-MNOVXSKESA-N 2 0 226.320 0.086 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331432 644348388 /nfs/dbraw/zinc/34/83/88/644348388.db2.gz KTSCMSVVXQBMFF-CYBMUJFWSA-N 2 0 242.363 0.725 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923330425 644349214 /nfs/dbraw/zinc/34/92/14/644349214.db2.gz FDGUIVMZLUIRRA-VXGBXAGGSA-N 2 0 230.352 0.709 20 0 BCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000923333196 644353569 /nfs/dbraw/zinc/35/35/69/644353569.db2.gz VLQVLOHXSBSURT-YNEHKIRRSA-N 2 0 244.379 0.689 20 0 BCADRP CSC[C@H](O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000923333995 644353917 /nfs/dbraw/zinc/35/39/17/644353917.db2.gz FBOYKKGLOSSLFQ-GHMZBOCLSA-N 2 0 232.393 0.784 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000923352362 644368891 /nfs/dbraw/zinc/36/88/91/644368891.db2.gz DEHANCQVHGJALR-WDEREUQCSA-N 2 0 232.393 0.914 20 0 BCADRP [NH3+]C1(C[NH2+]C[C@@H](O)CC(F)(F)F)CCC1 ZINC000923334556 644356094 /nfs/dbraw/zinc/35/60/94/644356094.db2.gz WDXWDLCSIHKMHC-ZETCQYMHSA-N 2 0 226.242 0.771 20 0 BCADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000923332025 644361431 /nfs/dbraw/zinc/36/14/31/644361431.db2.gz OFGQGSZGSCZBCX-AVGNSLFASA-N 2 0 244.379 0.832 20 0 BCADRP COC[C@H](O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000923357514 644364332 /nfs/dbraw/zinc/36/43/32/644364332.db2.gz PCSUUJWNUWHVTM-CHWSQXEVSA-N 2 0 242.363 0.315 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@H](O)CSC)CC[C@@H]1[NH3+] ZINC000923344322 644365429 /nfs/dbraw/zinc/36/54/29/644365429.db2.gz GHMBKYPGYNUVCM-VWYCJHECSA-N 2 0 232.393 0.770 20 0 BCADRP CC(=O)Nc1cccc(CNC(C[NH3+])C[NH3+])c1 ZINC000923351308 644366353 /nfs/dbraw/zinc/36/63/53/644366353.db2.gz HLVIFSMFOXWKDD-UHFFFAOYSA-N 2 0 236.319 0.021 20 0 BCADRP OCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358142 644367010 /nfs/dbraw/zinc/36/70/10/644367010.db2.gz DJYIEIJVMHGTFV-VXGBXAGGSA-N 2 0 212.337 0.690 20 0 BCADRP CSC[C@@H](O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000923358187 644367216 /nfs/dbraw/zinc/36/72/16/644367216.db2.gz FGPMDJRAYQYDLF-NSHDSACASA-N 2 0 244.404 0.786 20 0 BCADRP CSC[C@H](O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000923358186 644368311 /nfs/dbraw/zinc/36/83/11/644368311.db2.gz FGPMDJRAYQYDLF-LLVKDONJSA-N 2 0 244.404 0.786 20 0 BCADRP [NH3+]CC(C[NH3+])NCCOc1ccccc1F ZINC000923353365 644369256 /nfs/dbraw/zinc/36/92/56/644369256.db2.gz UZOBXPQUQGFRIO-UHFFFAOYSA-N 2 0 227.283 0.080 20 0 BCADRP C[C@H](NC(C[NH3+])C[NH3+])c1cc(F)ccc1F ZINC000923352305 644369387 /nfs/dbraw/zinc/36/93/87/644369387.db2.gz UGLQWUSZLZOGHX-ZETCQYMHSA-N 2 0 229.274 0.901 20 0 BCADRP [NH3+]CC(C[NH3+])NCCc1ccc2c(c1)CCO2 ZINC000923352632 644369406 /nfs/dbraw/zinc/36/94/06/644369406.db2.gz YNZWJNLNIFTRHT-UHFFFAOYSA-N 2 0 235.331 0.040 20 0 BCADRP C[C@H](NC(C[NH3+])C[NH3+])c1ccc(F)cc1F ZINC000923351829 644369603 /nfs/dbraw/zinc/36/96/03/644369603.db2.gz NQNDQXZZTJKLDN-ZETCQYMHSA-N 2 0 229.274 0.901 20 0 BCADRP CCc1cccc(OCCNC(C[NH3+])C[NH3+])c1 ZINC000923352624 644369819 /nfs/dbraw/zinc/36/98/19/644369819.db2.gz PLWSSFYRDJOESR-UHFFFAOYSA-N 2 0 237.347 0.503 20 0 BCADRP CC1(C)CCC[C@H](CNC(C[NH3+])C[NH3+])O1 ZINC000923356367 644373949 /nfs/dbraw/zinc/37/39/49/644373949.db2.gz MDOUXOMIWIFXMM-SNVBAGLBSA-N 2 0 215.341 0.210 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923364220 644375925 /nfs/dbraw/zinc/37/59/25/644375925.db2.gz JXKLQNKVLCLTFP-AVGNSLFASA-N 2 0 242.363 0.458 20 0 BCADRP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H](O)C[NH3+] ZINC000923366130 644376996 /nfs/dbraw/zinc/37/69/96/644376996.db2.gz JSJBLWURQHWXJH-PSEXLTFBSA-N 3 0 241.379 0.159 20 0 BCADRP CC(C)CC[C@H](O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000923366154 644377202 /nfs/dbraw/zinc/37/72/02/644377202.db2.gz KDPOTGYNXNKENB-QWRGUYRKSA-N 2 0 218.341 0.035 20 0 BCADRP CC(C)CC[C@@H](O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000923366152 644378593 /nfs/dbraw/zinc/37/85/93/644378593.db2.gz KDPOTGYNXNKENB-GHMZBOCLSA-N 2 0 218.341 0.035 20 0 BCADRP CC(C)OC[C@H](O)CN[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000923370711 644380543 /nfs/dbraw/zinc/38/05/43/644380543.db2.gz QJVYUNSTWNMHNA-WUHRBBMRSA-N 2 0 244.379 0.748 20 0 BCADRP CC(C)(C)[C@@H](CN)[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923369110 644381504 /nfs/dbraw/zinc/38/15/04/644381504.db2.gz VXSNTQOERVERFT-WDEREUQCSA-N 2 0 241.379 0.328 20 0 BCADRP CSC[C@H](O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000923368983 644382001 /nfs/dbraw/zinc/38/20/01/644382001.db2.gz IHCMBTPMADSJIH-ZJUUUORDSA-N 2 0 232.393 0.688 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000923371086 644382919 /nfs/dbraw/zinc/38/29/19/644382919.db2.gz VLYRKMZVWPUXIQ-RYUDHWBXSA-N 2 0 242.363 0.770 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923359552 644383951 /nfs/dbraw/zinc/38/39/51/644383951.db2.gz RPHPZVUSJACNKG-FRRDWIJNSA-N 2 0 242.363 0.458 20 0 BCADRP [NH3+]CC(C[NH3+])NCCCc1ccsc1 ZINC000923359914 644384294 /nfs/dbraw/zinc/38/42/94/644384294.db2.gz WRWREXFINZUUPT-UHFFFAOYSA-N 2 0 213.350 0.556 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000923371087 644384303 /nfs/dbraw/zinc/38/43/03/644384303.db2.gz VLYRKMZVWPUXIQ-VXGBXAGGSA-N 2 0 242.363 0.770 20 0 BCADRP CSC[C@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC000923361688 644386278 /nfs/dbraw/zinc/38/62/78/644386278.db2.gz KVCMHTDTSNAPMX-AMDVSUOASA-N 2 0 204.339 0.132 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923362599 644387196 /nfs/dbraw/zinc/38/71/96/644387196.db2.gz PGRPNCQLTGEQDZ-FRRDWIJNSA-N 2 0 242.363 0.315 20 0 BCADRP CO[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@H]1C ZINC000923374590 644388291 /nfs/dbraw/zinc/38/82/91/644388291.db2.gz ZWZQDIOMJFGLJC-WTPMCQDGSA-N 2 0 228.336 0.194 20 0 BCADRP C[C@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCCO1 ZINC000923376694 644391411 /nfs/dbraw/zinc/39/14/11/644391411.db2.gz DSCXEXVNPNQXNV-TUAOUCFPSA-N 2 0 240.347 0.522 20 0 BCADRP CNC(=O)[C@H]([NH2+]CCC[NH2+]C1CC1)C(C)C ZINC000923376685 644391713 /nfs/dbraw/zinc/39/17/13/644391713.db2.gz DPXMOQCVELIVKT-LLVKDONJSA-N 2 0 227.352 0.489 20 0 BCADRP CCOCC[C@@H](O)C[N@H+](C)CCC[NH2+]C ZINC000923380027 644393785 /nfs/dbraw/zinc/39/37/85/644393785.db2.gz TXSRWQYMAKMZTR-LLVKDONJSA-N 2 0 218.341 0.315 20 0 BCADRP CC(C)CC[C@H](O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000923383071 644393951 /nfs/dbraw/zinc/39/39/51/644393951.db2.gz WPILNDGQECBIHC-LBPRGKRZSA-N 2 0 244.379 0.569 20 0 BCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000923390022 644396427 /nfs/dbraw/zinc/39/64/27/644396427.db2.gz AUUBKIGWFJXBDY-JHJVBQTASA-N 2 0 244.379 0.832 20 0 BCADRP CCC[N@H+](CC)CCNC(=[NH2+])N[C@H](C)COC ZINC000083052935 644397737 /nfs/dbraw/zinc/39/77/37/644397737.db2.gz NLQPKALUUNIWLG-LLVKDONJSA-N 2 0 244.383 0.658 20 0 BCADRP CC[C@H](O)C[NH+]1CCC([NH2+]CCOC)CC1 ZINC000923387704 644398998 /nfs/dbraw/zinc/39/89/98/644398998.db2.gz KCYPYVOGTUQZPR-LBPRGKRZSA-N 2 0 230.352 0.458 20 0 BCADRP C[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000923388677 644401365 /nfs/dbraw/zinc/40/13/65/644401365.db2.gz QPRRVRICXPUUFX-WUHRBBMRSA-N 2 0 242.363 0.586 20 0 BCADRP C[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000923388672 644403037 /nfs/dbraw/zinc/40/30/37/644403037.db2.gz QPRRVRICXPUUFX-CYDGBPFRSA-N 2 0 242.363 0.586 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(CCC[NH2+]C1CC1)C2 ZINC000923399316 644404307 /nfs/dbraw/zinc/40/43/07/644404307.db2.gz QBEFVJZHHBBCHY-YPMHNXCESA-N 2 0 223.364 0.942 20 0 BCADRP OCC[NH2+][C@@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000923401727 644405941 /nfs/dbraw/zinc/40/59/41/644405941.db2.gz FGBPLFRURDJFIS-CYBMUJFWSA-N 2 0 241.379 0.032 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCCC(F)(F)CC2)C1 ZINC000923402056 644406245 /nfs/dbraw/zinc/40/62/45/644406245.db2.gz SXVMHCUVGCHUKW-GUBZILKMSA-N 2 0 234.290 0.958 20 0 BCADRP CCOCCOCCN(CC)CC[NH3+] ZINC000923399954 644407695 /nfs/dbraw/zinc/40/76/95/644407695.db2.gz TWNFESADLAQASQ-UHFFFAOYSA-N 2 0 204.314 0.320 20 0 BCADRP CC(C)CC[C@@H](O)C[N@H+](C)CCOCC[NH3+] ZINC000923402741 644407706 /nfs/dbraw/zinc/40/77/06/644407706.db2.gz LLOBPBCUAFLGPF-GFCCVEGCSA-N 2 0 232.368 0.691 20 0 BCADRP COC[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923401906 644407943 /nfs/dbraw/zinc/40/79/43/644407943.db2.gz ACVZNBCQJURUEG-RYUDHWBXSA-N 2 0 240.347 0.476 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000923392859 644409816 /nfs/dbraw/zinc/40/98/16/644409816.db2.gz LLEZJMHFQWUGMC-NEPJUHHUSA-N 2 0 230.352 0.851 20 0 BCADRP C[C@H]([NH3+])CN(C)C[C@@H](O)COc1ccccc1 ZINC000923409683 644410893 /nfs/dbraw/zinc/41/08/93/644410893.db2.gz QXIAXNILAXXXMG-NWDGAFQWSA-N 2 0 238.331 0.705 20 0 BCADRP C[C@@H]([NH3+])CN(C)C[C@@H](O)COc1ccccc1 ZINC000923409685 644412086 /nfs/dbraw/zinc/41/20/86/644412086.db2.gz QXIAXNILAXXXMG-VXGBXAGGSA-N 2 0 238.331 0.705 20 0 BCADRP CC(C)OCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923410474 644412727 /nfs/dbraw/zinc/41/27/27/644412727.db2.gz IEQCQAPSAVTTJE-AGIUHOORSA-N 2 0 244.379 0.689 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NCCC[NH2+]C1CC1 ZINC000923423254 644419665 /nfs/dbraw/zinc/41/96/65/644419665.db2.gz WVDWVNBMQGSNDW-QWRGUYRKSA-N 2 0 211.353 0.844 20 0 BCADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000923411394 644413619 /nfs/dbraw/zinc/41/36/19/644413619.db2.gz OMVYIVCOWAYJCX-YNEHKIRRSA-N 2 0 244.379 0.547 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000923422440 644418660 /nfs/dbraw/zinc/41/86/60/644418660.db2.gz RXEGVNAQDJEDOB-MXWKQRLJSA-N 2 0 228.336 0.507 20 0 BCADRP CCOCC[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000923422803 644418722 /nfs/dbraw/zinc/41/87/22/644418722.db2.gz SGNIUDSHLROUNN-DCAQKATOSA-N 2 0 230.352 0.489 20 0 BCADRP CC(C)COC[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923423669 644419828 /nfs/dbraw/zinc/41/98/28/644419828.db2.gz YGNYLFOCMHWIKS-IJLUTSLNSA-N 2 0 244.379 0.735 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923422366 644420101 /nfs/dbraw/zinc/42/01/01/644420101.db2.gz QMELLYIFTLZILA-GMTAPVOTSA-N 3 0 239.363 0.080 20 0 BCADRP C[C@@H](O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923426882 644422359 /nfs/dbraw/zinc/42/23/59/644422359.db2.gz HRCNTADNTCHGON-NEPJUHHUSA-N 2 0 212.337 0.833 20 0 BCADRP CO[C@H]1COCC[C@@H]1[N@H+](C)CCC[NH2+]C1CC1 ZINC000923426961 644422376 /nfs/dbraw/zinc/42/23/76/644422376.db2.gz PUHSMRPCMSBBNQ-STQMWFEESA-N 2 0 242.363 0.864 20 0 BCADRP CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923419472 644424069 /nfs/dbraw/zinc/42/40/69/644424069.db2.gz APPFANBUKVWOSJ-GRYCIOLGSA-N 2 0 244.379 0.879 20 0 BCADRP CC(C)OCC[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000923419806 644425580 /nfs/dbraw/zinc/42/55/80/644425580.db2.gz CXTLLOZEBCCJRV-SRVKXCTJSA-N 2 0 244.379 0.878 20 0 BCADRP C[NH2+]CCN(C[C@H]1CC2(C[NH2+]C2)CO1)C(C)C ZINC000923433161 644426352 /nfs/dbraw/zinc/42/63/52/644426352.db2.gz OPALZVQBDJHKOC-GFCCVEGCSA-N 2 0 241.379 0.295 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1[C@H](C)C[NH2+][C@@H](C)[C@@H]1C ZINC000923435503 644428764 /nfs/dbraw/zinc/42/87/64/644428764.db2.gz IPPFLAHWGVAQTP-BNDIWNMDSA-N 2 0 225.380 0.913 20 0 BCADRP Cc1cc(CN2CC[NH2+]CC[NH2+]CC2)ccn1 ZINC000923459484 644440240 /nfs/dbraw/zinc/44/02/40/644440240.db2.gz CJXMJEJAGHZJEF-UHFFFAOYSA-N 2 0 234.347 0.385 20 0 BCADRP C(C[N@@H+]1CCNCC[NH2+]CC1)[C@@H]1C[C@H]1C1CC1 ZINC000923461560 644445990 /nfs/dbraw/zinc/44/59/90/644445990.db2.gz ZBXQTEZCHTVNMW-KGLIPLIRSA-N 2 0 237.391 0.917 20 0 BCADRP c1nc(CN2CC[NH2+]CC[NH2+]CC2)cs1 ZINC000923462089 644446333 /nfs/dbraw/zinc/44/63/33/644446333.db2.gz CJNFSGNDECIJFN-UHFFFAOYSA-N 2 0 226.349 0.138 20 0 BCADRP CN1CCC[C@@H]([N@@H+]2CC[C@H](CC[NH3+])C2)C1=O ZINC000923480498 644459095 /nfs/dbraw/zinc/45/90/95/644459095.db2.gz HUDMPFDJRDJLRY-WDEREUQCSA-N 2 0 225.336 0.278 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000923482294 644459548 /nfs/dbraw/zinc/45/95/48/644459548.db2.gz YGOAALOVHXCGLD-NEPJUHHUSA-N 3 0 211.353 0.657 20 0 BCADRP Cc1nonc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923488120 644463776 /nfs/dbraw/zinc/46/37/76/644463776.db2.gz DNKLXCDUWRYZPQ-SCZZXKLOSA-N 2 0 224.308 0.795 20 0 BCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CC[C@H]1C[NH3+] ZINC000923495338 644463809 /nfs/dbraw/zinc/46/38/09/644463809.db2.gz BPNQYPSAASZUQE-OUAUKWLOSA-N 2 0 225.336 0.134 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923490168 644464547 /nfs/dbraw/zinc/46/45/47/644464547.db2.gz BONITBKQWNDHAT-SDDRHHMPSA-N 2 0 230.352 0.301 20 0 BCADRP CCN1CC[C@H]([N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923491073 644465942 /nfs/dbraw/zinc/46/59/42/644465942.db2.gz QNZOGLWPGMNNKG-UTUOFQBUSA-N 2 0 239.363 0.524 20 0 BCADRP COC[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923491821 644467294 /nfs/dbraw/zinc/46/72/94/644467294.db2.gz UJEUUPRKYVQCQP-DCAQKATOSA-N 2 0 200.326 0.938 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000923491547 644467946 /nfs/dbraw/zinc/46/79/46/644467946.db2.gz STYARVMYLATJIA-FRRDWIJNSA-N 3 0 225.380 0.903 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000923491546 644468356 /nfs/dbraw/zinc/46/83/56/644468356.db2.gz STYARVMYLATJIA-AGIUHOORSA-N 3 0 225.380 0.903 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492861 644468620 /nfs/dbraw/zinc/46/86/20/644468620.db2.gz QKYNHINYOJWDOQ-AGIUHOORSA-N 2 0 244.379 0.691 20 0 BCADRP C[C@@H]1C[N@H+](CC2(O)CCOCC2)CC[C@@H]1C[NH3+] ZINC000923492937 644468894 /nfs/dbraw/zinc/46/88/94/644468894.db2.gz ZPIRAUAZPMKXPK-VXGBXAGGSA-N 2 0 242.363 0.445 20 0 BCADRP C[C@@H]1C[N@@H+]([C@@H]2CCOC2=O)CC[C@@H]1C[NH3+] ZINC000923496992 644470446 /nfs/dbraw/zinc/47/04/46/644470446.db2.gz DEBHNZPTIQXOHQ-OPRDCNLKSA-N 2 0 212.293 0.219 20 0 BCADRP [NH3+]CCCCCC(=O)NC[C@H]1CCC[NH2+]1 ZINC000187174849 644471209 /nfs/dbraw/zinc/47/12/09/644471209.db2.gz ATKNJCXOPLHYEH-SNVBAGLBSA-N 2 0 213.325 0.374 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000923499846 644471749 /nfs/dbraw/zinc/47/17/49/644471749.db2.gz MMDINTJWVPOXNK-GRYCIOLGSA-N 3 0 211.353 0.513 20 0 BCADRP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923497758 644472713 /nfs/dbraw/zinc/47/27/13/644472713.db2.gz DLAXMOLLGSCWRP-SDDRHHMPSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC000923499735 644473516 /nfs/dbraw/zinc/47/35/16/644473516.db2.gz LSWZLNDVKHNLGU-YPMHNXCESA-N 3 0 225.380 0.903 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000923499849 644473797 /nfs/dbraw/zinc/47/37/97/644473797.db2.gz MMDINTJWVPOXNK-UTUOFQBUSA-N 3 0 211.353 0.513 20 0 BCADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516801 644480780 /nfs/dbraw/zinc/48/07/80/644480780.db2.gz SOOXQVUMSJFRES-GRYCIOLGSA-N 3 0 209.337 0.137 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515376 644480839 /nfs/dbraw/zinc/48/08/39/644480839.db2.gz FEPCVXJATMOBHI-AXFHLTTASA-N 2 0 230.377 0.252 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923529585 644485662 /nfs/dbraw/zinc/48/56/62/644485662.db2.gz AVXNZQNZYJKKIH-OLZOCXBDSA-N 2 0 223.364 0.956 20 0 BCADRP OC1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000088430320 644519546 /nfs/dbraw/zinc/51/95/46/644519546.db2.gz RWWNFBPTROPWPP-TXEJJXNPSA-N 2 0 224.348 0.833 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000247319742 644632620 /nfs/dbraw/zinc/63/26/20/644632620.db2.gz SELZZUBWBXYPNU-HBNTYKKESA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000248506318 644683752 /nfs/dbraw/zinc/68/37/52/644683752.db2.gz WQRGMYSFOKCPHJ-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000250572826 644764312 /nfs/dbraw/zinc/76/43/12/644764312.db2.gz WQHJFOOVSQJNNV-AXFHLTTASA-N 2 0 216.325 0.053 20 0 BCADRP CC[C@H](O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251034494 644789544 /nfs/dbraw/zinc/78/95/44/644789544.db2.gz BAIYHLVTUVEWIK-DCAQKATOSA-N 2 0 200.326 0.817 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251898159 644829722 /nfs/dbraw/zinc/82/97/22/644829722.db2.gz WOUNUJHSEBOHDR-IJLUTSLNSA-N 2 0 230.352 0.443 20 0 BCADRP C[C@@H]1C[N@H+](CCN2CCOCC2)CC[C@H]1C[NH3+] ZINC000251888208 644829790 /nfs/dbraw/zinc/82/97/90/644829790.db2.gz VICNZOXVPXNTNV-OLZOCXBDSA-N 2 0 241.379 0.235 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000252683877 644879174 /nfs/dbraw/zinc/87/91/74/644879174.db2.gz FJAYZHYBSOPLSD-OUAUKWLOSA-N 2 0 216.325 0.195 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000304414951 644905191 /nfs/dbraw/zinc/90/51/91/644905191.db2.gz YTWDGVGTCLHRAG-QWRGUYRKSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC2=[NH+]CCN2C)C1 ZINC000304531092 644915751 /nfs/dbraw/zinc/91/57/51/644915751.db2.gz IRYSQZAIGVAAAF-LLVKDONJSA-N 2 0 224.352 0.608 20 0 BCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252867818 644917082 /nfs/dbraw/zinc/91/70/82/644917082.db2.gz RDVMLUUHVAXUSF-WHOHXGKFSA-N 2 0 228.336 0.053 20 0 BCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252867817 644918178 /nfs/dbraw/zinc/91/81/78/644918178.db2.gz RDVMLUUHVAXUSF-USZNOCQGSA-N 2 0 228.336 0.053 20 0 BCADRP CC[NH+]1CCC(CNC2=[NH+]C[C@@H](C)N2)CC1 ZINC000304630633 644921562 /nfs/dbraw/zinc/92/15/62/644921562.db2.gz ZBFGAMCOXPNJAK-SNVBAGLBSA-N 2 0 224.352 0.656 20 0 BCADRP CC[NH+]1CCC(CNC2=[NH+]C[C@H](C)N2)CC1 ZINC000304630632 644922250 /nfs/dbraw/zinc/92/22/50/644922250.db2.gz ZBFGAMCOXPNJAK-JTQLQIEISA-N 2 0 224.352 0.656 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000823615403 645048315 /nfs/dbraw/zinc/04/83/15/645048315.db2.gz KIZGVWCBLMOUFH-NWDGAFQWSA-N 2 0 241.379 0.926 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000823615404 645048450 /nfs/dbraw/zinc/04/84/50/645048450.db2.gz KIZGVWCBLMOUFH-RYUDHWBXSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C2CC2)C[C@H](C)[NH2+]1 ZINC000841855088 645230417 /nfs/dbraw/zinc/23/04/17/645230417.db2.gz LTVMRFVTUGAFJP-WCABBAIRSA-N 2 0 225.336 0.323 20 0 BCADRP [NH3+]C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)C1CCCC1 ZINC000841855848 645231282 /nfs/dbraw/zinc/23/12/82/645231282.db2.gz IPCKWYFQMZNVKG-RYUDHWBXSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@@H]1CN(C(=O)c2cccc(C[NH3+])c2)C[C@H](C)[NH2+]1 ZINC000841855321 645231317 /nfs/dbraw/zinc/23/13/17/645231317.db2.gz MWKOJEXTPJDTEL-PHIMTYICSA-N 2 0 247.342 0.968 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C2CC2)C[C@@H](C)[NH2+]1 ZINC000841855084 645231355 /nfs/dbraw/zinc/23/13/55/645231355.db2.gz LTVMRFVTUGAFJP-FXPVBKGRSA-N 2 0 225.336 0.323 20 0 BCADRP Cn1cnc(CC[NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](C)C3)c1 ZINC000926562344 645283280 /nfs/dbraw/zinc/28/32/80/645283280.db2.gz VSXRDUQZEFXQID-ONXXMXGDSA-N 2 0 248.374 0.892 20 0 BCADRP CC[C@](C)(CC(=O)OC)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000843390103 645289933 /nfs/dbraw/zinc/28/99/33/645289933.db2.gz KOGBPFMDMVJTDC-ZYHUDNBSSA-N 2 0 228.336 0.917 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CNC(=O)C1 ZINC000926575347 645292618 /nfs/dbraw/zinc/29/26/18/645292618.db2.gz DOZRVJKIEMKVGT-WHKIEGFNSA-N 2 0 237.347 0.052 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CNC(=O)C1 ZINC000926575344 645293228 /nfs/dbraw/zinc/29/32/28/645293228.db2.gz DOZRVJKIEMKVGT-HQFGAJJPSA-N 2 0 237.347 0.052 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)CCCCC[NH3+] ZINC000843509107 645293620 /nfs/dbraw/zinc/29/36/20/645293620.db2.gz WJNPPJDKMMVQTJ-ZJUUUORDSA-N 2 0 215.341 0.748 20 0 BCADRP CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000844187066 645317298 /nfs/dbraw/zinc/31/72/98/645317298.db2.gz CGNVUGVGRAOJKN-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000926647643 645333389 /nfs/dbraw/zinc/33/33/89/645333389.db2.gz UOCHEZCRGXLUHI-ORZCXNSNSA-N 2 0 237.347 0.180 20 0 BCADRP C[C@H]1COC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926665534 645345319 /nfs/dbraw/zinc/34/53/19/645345319.db2.gz GQJZAVMSRNUYCT-YFKTTZPYSA-N 2 0 212.337 0.951 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOCCF ZINC000926735438 645394814 /nfs/dbraw/zinc/39/48/14/645394814.db2.gz PCXWGWOPSVYWQD-FOSCPWQOSA-N 2 0 230.327 0.902 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCO ZINC000849023448 645447120 /nfs/dbraw/zinc/44/71/20/645447120.db2.gz VNKKSBJIJZISLB-NSHDSACASA-N 2 0 242.367 0.357 20 0 BCADRP C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC000928429404 645745236 /nfs/dbraw/zinc/74/52/36/645745236.db2.gz BXSMWUYHUAEVFG-QWRGUYRKSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC000928429402 645747774 /nfs/dbraw/zinc/74/77/74/645747774.db2.gz BXSMWUYHUAEVFG-GHMZBOCLSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1C)[NH+](C)C ZINC000928436440 645757674 /nfs/dbraw/zinc/75/76/74/645757674.db2.gz GCJIPUCYEWADAZ-SRVKXCTJSA-N 2 0 241.379 0.781 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H](C)C[NH2+]1 ZINC000876796548 645787035 /nfs/dbraw/zinc/78/70/35/645787035.db2.gz GEXRNXRYDWKHHW-HXFLIBJXSA-N 2 0 247.289 0.035 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000877049677 645788116 /nfs/dbraw/zinc/78/81/16/645788116.db2.gz CZSRGSRQCOUDQY-KKZNHRDASA-N 2 0 225.336 0.384 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+]2C)CC[N@@H+]1C ZINC000928557401 645815249 /nfs/dbraw/zinc/81/52/49/645815249.db2.gz RWIKQCQIMPGIGC-SDDRHHMPSA-N 2 0 239.363 0.537 20 0 BCADRP CC1(NC(=O)[C@@H]([NH3+])CC2CC2)CC[NH2+]CC1 ZINC000884270475 645872987 /nfs/dbraw/zinc/87/29/87/645872987.db2.gz MWYQEAHZBFFFGL-JTQLQIEISA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000884369543 645874708 /nfs/dbraw/zinc/87/47/08/645874708.db2.gz HSZIIXFUXXZUDB-OUAUKWLOSA-N 2 0 225.336 0.500 20 0 BCADRP Cn1cc(C[N@H+](C)C2CCC([NH3+])CC2)nn1 ZINC000220323463 645889959 /nfs/dbraw/zinc/88/99/59/645889959.db2.gz FSPMJLGXGLABJX-UHFFFAOYSA-N 2 0 223.324 0.517 20 0 BCADRP CC(C)NC(=[NH2+])NC[C@H](C)[N@H+](C)C1CC1 ZINC000221887883 645894642 /nfs/dbraw/zinc/89/46/42/645894642.db2.gz MRRBHPPWNYNIEI-VIFPVBQESA-N 2 0 212.341 0.991 20 0 BCADRP CCCNC(=[NH2+])NCC[N@H+](CC)C1CC1 ZINC000221886817 645894834 /nfs/dbraw/zinc/89/48/34/645894834.db2.gz YWDBAYMRGHVNJW-UHFFFAOYSA-N 2 0 212.341 0.995 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[NH2+]CC1 ZINC000929065199 645931958 /nfs/dbraw/zinc/93/19/58/645931958.db2.gz QGACCOXQXCICAE-WDEREUQCSA-N 2 0 240.351 0.180 20 0 BCADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)CO)CC1 ZINC000929504795 646156691 /nfs/dbraw/zinc/15/66/91/646156691.db2.gz ANQDZLXBWAFNCS-ZDUSSCGKSA-N 2 0 244.379 0.392 20 0 BCADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)CO)CC1 ZINC000929504794 646157844 /nfs/dbraw/zinc/15/78/44/646157844.db2.gz ANQDZLXBWAFNCS-CYBMUJFWSA-N 2 0 244.379 0.392 20 0 BCADRP C[C@@H](CCNC(=O)NC[C@@H]1CC[N@@H+]1C)[NH+](C)C ZINC000925436030 646281764 /nfs/dbraw/zinc/28/17/64/646281764.db2.gz VVMIAJTZSQMZQF-QWRGUYRKSA-N 2 0 242.367 0.330 20 0 BCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@H](O)CO)C1 ZINC000929762600 646294414 /nfs/dbraw/zinc/29/44/14/646294414.db2.gz GMIGEVRJTGTORH-STQMWFEESA-N 2 0 242.363 0.003 20 0 BCADRP C[C@H](CN[C@@H]1C[NH2+]CCOC1)[N@H+](C)C1CC1 ZINC000925496279 646301545 /nfs/dbraw/zinc/30/15/45/646301545.db2.gz PUYPHIULLNCUPO-GHMZBOCLSA-N 2 0 227.352 0.047 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C[C@H](O)CO)C[C@@H]1C ZINC000929779152 646304506 /nfs/dbraw/zinc/30/45/06/646304506.db2.gz DUYZYUMDCAWYAI-TUAOUCFPSA-N 2 0 230.352 0.144 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C[C@H](O)CO)C[C@@H]1C ZINC000929779151 646305081 /nfs/dbraw/zinc/30/50/81/646305081.db2.gz DUYZYUMDCAWYAI-SRVKXCTJSA-N 2 0 230.352 0.144 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)[C@@H](C)O)C1 ZINC000929782574 646309724 /nfs/dbraw/zinc/30/97/24/646309724.db2.gz XFUZHJKVDAWVAQ-AGIUHOORSA-N 2 0 244.379 0.392 20 0 BCADRP COCCC[N@H+](C)CCN[C@H]1CCC[NH2+][C@@H]1C ZINC000925519624 646313053 /nfs/dbraw/zinc/31/30/53/646313053.db2.gz VAMFDMJGXCDPSA-OLZOCXBDSA-N 2 0 243.395 0.685 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(COC)COC)C1 ZINC000929789403 646318835 /nfs/dbraw/zinc/31/88/35/646318835.db2.gz FAPXZVPHGKNAJH-GFCCVEGCSA-N 2 0 244.379 0.921 20 0 BCADRP C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CCOC2)C[N@@H+]1C1CC1 ZINC000925543592 646324307 /nfs/dbraw/zinc/32/43/07/646324307.db2.gz VNFLTJAEJNHVBV-GRYCIOLGSA-N 2 0 239.363 0.190 20 0 BCADRP C[C@H]1CCC[N@H+](CCN[C@H]2C[NH2+]CCOC2)C1 ZINC000925550391 646328483 /nfs/dbraw/zinc/32/84/83/646328483.db2.gz LUDUNSGZYZGCBZ-STQMWFEESA-N 2 0 241.379 0.296 20 0 BCADRP C1C[N@@H+]2CCCC[C@@H]2[C@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925553552 646330826 /nfs/dbraw/zinc/33/08/26/646330826.db2.gz QQEUUUMSZQXQDS-FRRDWIJNSA-N 2 0 239.363 0.191 20 0 BCADRP COCCOCCN[C@@H]1CC[NH2+]C1(C)C ZINC000925565438 646337581 /nfs/dbraw/zinc/33/75/81/646337581.db2.gz RCOYETBITMVZEO-SNVBAGLBSA-N 2 0 216.325 0.380 20 0 BCADRP CCn1cnnc1CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925570964 646339162 /nfs/dbraw/zinc/33/91/62/646339162.db2.gz CBINSBRQIQMWID-LLVKDONJSA-N 2 0 249.362 0.715 20 0 BCADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)C12CCC2 ZINC000925574511 646341098 /nfs/dbraw/zinc/34/10/98/646341098.db2.gz BUCCCSXDWROMJY-JLLWLGSASA-N 2 0 249.358 0.609 20 0 BCADRP COCCOC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925576085 646342434 /nfs/dbraw/zinc/34/24/34/646342434.db2.gz VDBVHELJALKJDA-SRVKXCTJSA-N 2 0 242.363 0.897 20 0 BCADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1C[NH2+]CCOC1 ZINC000925577616 646343810 /nfs/dbraw/zinc/34/38/10/646343810.db2.gz PCIJZQWENFLLFR-NWDGAFQWSA-N 2 0 229.368 0.295 20 0 BCADRP CN(C)C(=O)CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925588339 646348263 /nfs/dbraw/zinc/34/82/63/646348263.db2.gz VPGQAHNFKJZLTN-LLVKDONJSA-N 2 0 239.363 0.729 20 0 BCADRP CN(C)C(=O)CCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925588340 646348970 /nfs/dbraw/zinc/34/89/70/646348970.db2.gz VPGQAHNFKJZLTN-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP CC1(C)[C@H]([NH2+]CCn2cncn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925589740 646349146 /nfs/dbraw/zinc/34/91/46/646349146.db2.gz JPGNQUKFPWHSGW-GRYCIOLGSA-N 2 0 249.362 0.644 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCOCCO)C1 ZINC000925610808 646360497 /nfs/dbraw/zinc/36/04/97/646360497.db2.gz IPQSVBINZLQNAW-WDEREUQCSA-N 2 0 230.352 0.491 20 0 BCADRP C[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925610622 646360829 /nfs/dbraw/zinc/36/08/29/646360829.db2.gz IFIQYFAIUYBFHG-IVZWLZJFSA-N 2 0 200.326 0.863 20 0 BCADRP OCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925613607 646362479 /nfs/dbraw/zinc/36/24/79/646362479.db2.gz ZUUQLHDECIOAJN-NWDGAFQWSA-N 2 0 212.337 0.737 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1C=C[C@H](CO)C1 ZINC000925613144 646362567 /nfs/dbraw/zinc/36/25/67/646362567.db2.gz AMAIEUCBDONOTA-NNYUYHANSA-N 2 0 210.321 0.654 20 0 BCADRP OCC1(CN[C@@H]2CC[NH2+]C23CCCC3)COC1 ZINC000925616168 646364798 /nfs/dbraw/zinc/36/47/98/646364798.db2.gz KQZUVMHUIJEAOQ-LLVKDONJSA-N 2 0 240.347 0.260 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ncnn3C2)C12CCC2 ZINC000925621750 646366969 /nfs/dbraw/zinc/36/69/69/646366969.db2.gz NKCDODAAYVBDOQ-GMTAPVOTSA-N 2 0 247.346 0.452 20 0 BCADRP CC(C)[C@@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925622844 646369639 /nfs/dbraw/zinc/36/96/39/646369639.db2.gz NHVIDTQAYBIAKH-MXWKQRLJSA-N 2 0 212.337 0.863 20 0 BCADRP COC[C@H](O)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925626228 646372718 /nfs/dbraw/zinc/37/27/18/646372718.db2.gz MDHIMECHMJEWHB-SDDRHHMPSA-N 2 0 244.379 0.879 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCC1CC(O)C1 ZINC000925651919 646391986 /nfs/dbraw/zinc/39/19/86/646391986.db2.gz LEUUMPQFOGLKPO-VQXHTEKXSA-N 2 0 212.337 0.878 20 0 BCADRP COC[C@H](O)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925665390 646397743 /nfs/dbraw/zinc/39/77/43/646397743.db2.gz FPMGCHLZEBWHAS-WYUUTHIRSA-N 2 0 242.363 0.360 20 0 BCADRP CO[C@@H]1COCC[C@H]1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925682629 646408311 /nfs/dbraw/zinc/40/83/11/646408311.db2.gz YTLSZXKVVITIGK-TUAOUCFPSA-N 2 0 242.363 0.768 20 0 BCADRP CC[NH2+]CCCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925688270 646414654 /nfs/dbraw/zinc/41/46/54/646414654.db2.gz CMASAWODNOORER-LLVKDONJSA-N 2 0 211.353 0.860 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NCC[NH+]1CCC(O)CC1 ZINC000925688366 646414763 /nfs/dbraw/zinc/41/47/63/646414763.db2.gz OQNLWAHCLWZUHV-GFCCVEGCSA-N 2 0 241.379 0.173 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925690141 646415254 /nfs/dbraw/zinc/41/52/54/646415254.db2.gz FJJUIYBKECWOIX-OCIKQUFWSA-N 2 0 223.364 1.000 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@@H]2COC[C@H]2O)C1 ZINC000925691373 646416740 /nfs/dbraw/zinc/41/67/40/646416740.db2.gz MWZPLYNBIKNUKC-UKKRHICBSA-N 2 0 228.336 0.242 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@@H]2COC[C@H]2O)C1 ZINC000925691369 646417046 /nfs/dbraw/zinc/41/70/46/646417046.db2.gz MWZPLYNBIKNUKC-LNFKQOIKSA-N 2 0 228.336 0.242 20 0 BCADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ncc[nH]1 ZINC000925692657 646417757 /nfs/dbraw/zinc/41/77/57/646417757.db2.gz OTOGALVHBPLIKU-LLVKDONJSA-N 2 0 237.351 0.356 20 0 BCADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ncc[nH]1 ZINC000925692658 646418502 /nfs/dbraw/zinc/41/85/02/646418502.db2.gz OTOGALVHBPLIKU-NSHDSACASA-N 2 0 237.351 0.356 20 0 BCADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC[NH2+]CC1)[NH2+]2 ZINC000925694417 646419229 /nfs/dbraw/zinc/41/92/29/646419229.db2.gz UINSUYFGNVQRDI-SYEHKZFSSA-N 2 0 223.364 0.857 20 0 BCADRP [NH3+][C@@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)C12CCC2 ZINC000925693908 646419848 /nfs/dbraw/zinc/41/98/48/646419848.db2.gz SPMWBPALMDUQCX-HBNTYKKESA-N 2 0 209.337 0.598 20 0 BCADRP C[C@@H]([NH3+])CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925694243 646419890 /nfs/dbraw/zinc/41/98/90/646419890.db2.gz RLGJBEPDPGYZIN-GHMZBOCLSA-N 2 0 211.353 0.988 20 0 BCADRP [NH3+]CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925694420 646420441 /nfs/dbraw/zinc/42/04/41/646420441.db2.gz UIPHHOYQFSZBGS-NWDGAFQWSA-N 2 0 211.353 0.703 20 0 BCADRP CC[NH2+]CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925694238 646420669 /nfs/dbraw/zinc/42/06/69/646420669.db2.gz RJCBRWIBWWKDEG-WOPDTQHZSA-N 2 0 225.380 0.962 20 0 BCADRP [NH3+][C@@H]1C[C@H](N[C@H]2CCC[NH2+]C2)C12CCC2 ZINC000925693904 646420690 /nfs/dbraw/zinc/42/06/90/646420690.db2.gz SPMWBPALMDUQCX-AXFHLTTASA-N 2 0 209.337 0.598 20 0 BCADRP [NH3+][C@H](CN[C@@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000925696877 646421900 /nfs/dbraw/zinc/42/19/00/646421900.db2.gz BRLQILROSSRIKX-VXGBXAGGSA-N 2 0 223.364 0.988 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC[NH2+][C@H]1C ZINC000925698559 646422859 /nfs/dbraw/zinc/42/28/59/646422859.db2.gz FYUXOYRUDBGRPD-BJDJZHNGSA-N 2 0 211.353 0.857 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CNCCOC2)CC1 ZINC000925699021 646422933 /nfs/dbraw/zinc/42/29/33/646422933.db2.gz IJAXWSVFHZMPPS-AVGNSLFASA-N 2 0 241.379 0.330 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CCC[NH2+][C@H]1C ZINC000925698565 646423386 /nfs/dbraw/zinc/42/33/86/646423386.db2.gz FYUXOYRUDBGRPD-FIQHERPVSA-N 2 0 211.353 0.857 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCC[NH2+][C@H]1C ZINC000925699622 646423857 /nfs/dbraw/zinc/42/38/57/646423857.db2.gz LHICHHFBLVZZNZ-RHYQMDGZSA-N 2 0 211.353 0.715 20 0 BCADRP CC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC[NH2+]CC1 ZINC000925700355 646424983 /nfs/dbraw/zinc/42/49/83/646424983.db2.gz SFRCNNCCWHYNHB-QSLWVIQJSA-N 3 0 249.402 0.962 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1([NH3+])CCC1 ZINC000925700362 646425233 /nfs/dbraw/zinc/42/52/33/646425233.db2.gz SGIXPHZHBYZLSK-ZYANWLCNSA-N 3 0 223.364 0.973 20 0 BCADRP C[C@@H]([NH3+])CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925700748 646425660 /nfs/dbraw/zinc/42/56/60/646425660.db2.gz SLDDYQVDAKKURS-CHWFTXMASA-N 2 0 211.353 0.700 20 0 BCADRP CC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC[NH2+]CC1 ZINC000925700354 646425861 /nfs/dbraw/zinc/42/58/61/646425861.db2.gz SFRCNNCCWHYNHB-MEBFFEOJSA-N 3 0 249.402 0.962 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000925701391 646425911 /nfs/dbraw/zinc/42/59/11/646425911.db2.gz YRISQGNWHLQQQS-UTUOFQBUSA-N 2 0 223.364 0.859 20 0 BCADRP C[C@H]([NH3+])[C@H](C)N[C@H]1CC[NH2+]C12CCCC2 ZINC000925702516 646427162 /nfs/dbraw/zinc/42/71/62/646427162.db2.gz AZTYTMUQQOEVMC-DCAQKATOSA-N 2 0 211.353 0.986 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925705073 646429435 /nfs/dbraw/zinc/42/94/35/646429435.db2.gz JDZUZKGUJWSTMM-NEPJUHHUSA-N 2 0 241.379 0.437 20 0 BCADRP C[N@H+]1CC=C(C[NH2+][C@@H]2C(=O)NCC2(C)C)CC1 ZINC000925709120 646433071 /nfs/dbraw/zinc/43/30/71/646433071.db2.gz SKSRKNXPIWEFEM-LLVKDONJSA-N 2 0 237.347 0.363 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1C[NH2+]CCCO1 ZINC000925710780 646434891 /nfs/dbraw/zinc/43/48/91/646434891.db2.gz QSBZFFXPKAMKFE-TUAOUCFPSA-N 2 0 227.352 0.095 20 0 BCADRP C[C@H]([NH3+])[C@H](C)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925712412 646437164 /nfs/dbraw/zinc/43/71/64/646437164.db2.gz UOSCPKCZIGNJPL-ZWYQGIKHSA-N 2 0 209.337 0.308 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC[C@H]1C[NH2+]CCCO1 ZINC000925712843 646439395 /nfs/dbraw/zinc/43/93/95/646439395.db2.gz VPJJIRHLZGCBCW-MNOVXSKESA-N 2 0 227.352 0.095 20 0 BCADRP C[C@@H]1CC[C@H](N[C@@H]2CCC[NH2+][C@H]2C)C[NH2+]1 ZINC000925716120 646441258 /nfs/dbraw/zinc/44/12/58/646441258.db2.gz BERADOPEDNQTGB-NOOOWODRSA-N 2 0 211.353 0.857 20 0 BCADRP C[C@@H]1CC[C@H](N[C@H]2CCC[NH2+][C@@H]2C)C[NH2+]1 ZINC000925716123 646441635 /nfs/dbraw/zinc/44/16/35/646441635.db2.gz BERADOPEDNQTGB-WYUUTHIRSA-N 2 0 211.353 0.857 20 0 BCADRP C[C@@H]1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C[NH2+]1 ZINC000925718642 646442376 /nfs/dbraw/zinc/44/23/76/646442376.db2.gz OYFHOUQWMHECGY-LZRJYULZSA-N 2 0 235.375 0.713 20 0 BCADRP CC1(C)C[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C[C@@H]([NH3+])C1 ZINC000925719497 646443804 /nfs/dbraw/zinc/44/38/04/646443804.db2.gz OCGBBFHRINNCLM-DBIOUOCHSA-N 2 0 239.363 0.746 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C1 ZINC000925719499 646444328 /nfs/dbraw/zinc/44/43/28/646444328.db2.gz OCGBBFHRINNCLM-NAKRPEOUSA-N 2 0 239.363 0.746 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925721013 646446717 /nfs/dbraw/zinc/44/67/17/646446717.db2.gz WMWXJFBXIFYCCR-XKNYDFJKSA-N 2 0 223.320 0.110 20 0 BCADRP C([NH2+][C@H]1CNCCOC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925726989 646452395 /nfs/dbraw/zinc/45/23/95/646452395.db2.gz MNIICGIXIXBSFZ-RNJOBUHISA-N 2 0 239.363 0.095 20 0 BCADRP C[C@H](C[C@H]1COCCN1)[NH2+]CCC(C)(C)[NH3+] ZINC000925737937 646453455 /nfs/dbraw/zinc/45/34/55/646453455.db2.gz RCPJLOBHOZDMQS-MNOVXSKESA-N 2 0 229.368 0.470 20 0 BCADRP CC(C)([NH3+])CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925738390 646461043 /nfs/dbraw/zinc/46/10/43/646461043.db2.gz TUFVGSBDKDCUAL-UWVGGRQHSA-N 2 0 211.353 0.973 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000925777628 646465319 /nfs/dbraw/zinc/46/53/19/646465319.db2.gz GCSMQLILIYVQCK-UTUOFQBUSA-N 3 0 229.368 0.600 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NCc1cc(N)cc[nH+]1 ZINC000925768710 646468392 /nfs/dbraw/zinc/46/83/92/646468392.db2.gz WAHBOKMASWTEST-CABZTGNLSA-N 2 0 220.320 0.751 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(N)ccn1 ZINC000925766340 646468836 /nfs/dbraw/zinc/46/88/36/646468836.db2.gz JCEXEIUSICSWMT-NSHDSACASA-N 2 0 238.335 0.507 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000925771198 646470628 /nfs/dbraw/zinc/47/06/28/646470628.db2.gz NAJDLRIAPUBEAI-HOSYDEDBSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1C[NH2+]CCC1(F)F ZINC000925774508 646473548 /nfs/dbraw/zinc/47/35/48/646473548.db2.gz AWXBEBFOXPPZCS-AXFHLTTASA-N 2 0 247.333 0.961 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925780523 646477783 /nfs/dbraw/zinc/47/77/83/646477783.db2.gz RJCGHBQHDFKCSN-NJMOYASZSA-N 2 0 237.391 0.961 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925779784 646478020 /nfs/dbraw/zinc/47/80/20/646478020.db2.gz ZXMAEOGUDFJFNO-GUBZILKMSA-N 2 0 235.322 0.947 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CCCC[C@H]1C[NH3+] ZINC000925783237 646479234 /nfs/dbraw/zinc/47/92/34/646479234.db2.gz JDWBGGCXNJIXSG-NOOOWODRSA-N 2 0 211.353 0.701 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000925781845 646479464 /nfs/dbraw/zinc/47/94/64/646479464.db2.gz GTVSMFXSQJUOEP-DNIRFERGSA-N 2 0 223.364 0.667 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@H]1C[NH2+]CCC1(F)F ZINC000925782084 646479562 /nfs/dbraw/zinc/47/95/62/646479562.db2.gz KUNALTQOHUVQLB-GMTAPVOTSA-N 2 0 247.333 0.771 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000925788058 646482442 /nfs/dbraw/zinc/48/24/42/646482442.db2.gz XWPWESBMNLIBPZ-NDBYEHHHSA-N 2 0 225.380 0.820 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925797628 646486599 /nfs/dbraw/zinc/48/65/99/646486599.db2.gz URUMYBRFPJRFMK-ZTQNTSQUSA-N 3 0 249.402 0.818 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCN[C@H]1C ZINC000925797028 646487241 /nfs/dbraw/zinc/48/72/41/646487241.db2.gz SVRCGQWZYAQNKD-XQHKEYJVSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)[C@@H]1CCC[NH2+]1 ZINC000925812791 646489769 /nfs/dbraw/zinc/48/97/69/646489769.db2.gz PKDORBKJVKCCLR-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1COCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925811958 646490328 /nfs/dbraw/zinc/49/03/28/646490328.db2.gz LHECEIBSKGAMFW-YPMHNXCESA-N 2 0 241.379 0.424 20 0 BCADRP CN(C)c1cc[nH+]c(CN[C@@H]2CC[NH2+]C2)c1 ZINC000925813514 646492323 /nfs/dbraw/zinc/49/23/23/646492323.db2.gz URBZPVOLSOHZIV-SNVBAGLBSA-N 2 0 220.320 0.599 20 0 BCADRP NC(=O)CC1CC([NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000925825336 646498398 /nfs/dbraw/zinc/49/83/98/646498398.db2.gz ZDOGBUFMRVXGAM-HCWSGVFWSA-N 2 0 239.363 0.890 20 0 BCADRP CC[C@H](CN1CCOCC1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000925825819 646498602 /nfs/dbraw/zinc/49/86/02/646498602.db2.gz IGANQHLAUGQATE-WCQYABFASA-N 2 0 241.379 0.295 20 0 BCADRP CCO[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)C[NH+](C)C ZINC000925836445 646503480 /nfs/dbraw/zinc/50/34/80/646503480.db2.gz KXIMNTKLNIUZEP-AGIUHOORSA-N 2 0 243.395 0.683 20 0 BCADRP C[C@@H]([NH2+]CC[C@@H]1CNC(=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000925836988 646504328 /nfs/dbraw/zinc/50/43/28/646504328.db2.gz AQNLSNBYKHLPAD-WOPDTQHZSA-N 2 0 239.363 0.633 20 0 BCADRP CCO[C@H](CN[C@H]1C[NH2+]CC[C@@H]1C)C[NH+](C)C ZINC000925837690 646504602 /nfs/dbraw/zinc/50/46/02/646504602.db2.gz HRHPJAKDKKXECY-XQQFMLRXSA-N 2 0 243.395 0.541 20 0 BCADRP C[C@@H]([NH2+]CC[C@@H]1CNC(=O)C1)[C@H]1CCCC[NH2+]1 ZINC000925836981 646504691 /nfs/dbraw/zinc/50/46/91/646504691.db2.gz AQNLSNBYKHLPAD-GRYCIOLGSA-N 2 0 239.363 0.633 20 0 BCADRP CCO[C@H](CN[C@H]1CC[NH2+]C1(C)C)C[NH+](C)C ZINC000925838794 646506056 /nfs/dbraw/zinc/50/60/56/646506056.db2.gz OBKPUSLXDJCGJW-NEPJUHHUSA-N 2 0 243.395 0.683 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CNC(=O)C1 ZINC000925841119 646506448 /nfs/dbraw/zinc/50/64/48/646506448.db2.gz ZOYNTKXKOSIPAR-UTUOFQBUSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)C1C[NH2+]C1 ZINC000925839179 646507042 /nfs/dbraw/zinc/50/70/42/646507042.db2.gz GWJKLFPZEZWLSN-RAIGVLPGSA-N 2 0 223.364 0.716 20 0 BCADRP CCO[C@@H](CN[C@H](C)C1C[NH2+]C1)C[NH+](C)C ZINC000925841414 646508660 /nfs/dbraw/zinc/50/86/60/646508660.db2.gz QXSPBOLMGLFVMZ-PWSUYJOCSA-N 2 0 229.368 0.151 20 0 BCADRP [NH3+]C1CCC([NH2+]CCO[C@H]2CCOC2)CC1 ZINC000925875181 646525657 /nfs/dbraw/zinc/52/56/57/646525657.db2.gz QBLRRPWBNHKKKB-MCIGGMRASA-N 2 0 228.336 0.651 20 0 BCADRP C(CO[C@@H]1CCOC1)[NH2+]C1CC[NH2+]CC1 ZINC000925874636 646525738 /nfs/dbraw/zinc/52/57/38/646525738.db2.gz LXYRCFSTCCXBKY-LLVKDONJSA-N 2 0 214.309 0.134 20 0 BCADRP C[C@@H]([NH2+]CCOC1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000925878375 646528117 /nfs/dbraw/zinc/52/81/17/646528117.db2.gz UCAARNOBZPWHMD-VXGBXAGGSA-N 2 0 242.363 0.770 20 0 BCADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H](N[C@@H]2CC[NH2+]C2)C1 ZINC000925881233 646531394 /nfs/dbraw/zinc/53/13/94/646531394.db2.gz GNGYIVMRTWPOLN-KFWWJZLASA-N 2 0 245.370 0.997 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+][C@H]1COC[C@@H]1C ZINC000926150848 646584537 /nfs/dbraw/zinc/58/45/37/646584537.db2.gz OFIQPVGUHGLSNO-STQMWFEESA-N 2 0 244.379 0.969 20 0 BCADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cnnn1C ZINC000926254631 646605513 /nfs/dbraw/zinc/60/55/13/646605513.db2.gz MKZMXDAKGACPRQ-JTQLQIEISA-N 2 0 241.339 0.044 20 0 BCADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cnnn1C ZINC000926254634 646606253 /nfs/dbraw/zinc/60/62/53/646606253.db2.gz MKZMXDAKGACPRQ-SNVBAGLBSA-N 2 0 241.339 0.044 20 0 BCADRP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000926451361 646641412 /nfs/dbraw/zinc/64/14/12/646641412.db2.gz YXYKKTYGSQLGAH-PTRXPTGYSA-N 2 0 221.304 0.892 20 0 BCADRP COC[C@@H](C)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723708774 711535258 /nfs/dbraw/zinc/53/52/58/711535258.db2.gz ICHKAEHCJAXKOI-WDEREUQCSA-N 2 0 200.326 0.940 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723699844 711534447 /nfs/dbraw/zinc/53/44/47/711534447.db2.gz VTRWEZCHTZFPCX-QWRGUYRKSA-N 2 0 216.325 0.055 20 0 BCADRP CCc1noc(CN2CC[C@@H](CC[NH3+])C2)n1 ZINC000723701869 711535771 /nfs/dbraw/zinc/53/57/71/711535771.db2.gz VYGFWMYUSLRXFQ-SECBINFHSA-N 2 0 224.308 0.803 20 0 BCADRP COC[C@@H](C)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723880232 711542874 /nfs/dbraw/zinc/54/28/74/711542874.db2.gz FKUJQKFNCOZWIW-HBNTYKKESA-N 2 0 200.326 0.796 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)NC/C=C/C[NH3+] ZINC000892122648 711575991 /nfs/dbraw/zinc/57/59/91/711575991.db2.gz STENXIIEWRNYTH-AATRIKPKSA-N 2 0 242.367 0.662 20 0 BCADRP CC1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])OCCO1 ZINC000716823398 711584714 /nfs/dbraw/zinc/58/47/14/711584714.db2.gz YSKARDCBIBZNRN-ZJUUUORDSA-N 2 0 214.309 0.466 20 0 BCADRP C[C@@H]1C[N@H+](CCO[C@@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000724912403 711626940 /nfs/dbraw/zinc/62/69/40/711626940.db2.gz CWOFGRGSHXIXCA-UTUOFQBUSA-N 2 0 228.336 0.461 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724913212 711627168 /nfs/dbraw/zinc/62/71/68/711627168.db2.gz FPDHMZKQPLDYCE-QWRGUYRKSA-N 2 0 214.309 0.073 20 0 BCADRP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)CC[NH+]1C ZINC000383376611 711657590 /nfs/dbraw/zinc/65/75/90/711657590.db2.gz DASRKNDRVKMKCA-YPMHNXCESA-N 2 0 241.379 0.077 20 0 BCADRP CC[NH2+]CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000393789212 711678612 /nfs/dbraw/zinc/67/86/12/711678612.db2.gz KJEDEKXOHJZJAY-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000309405690 711697362 /nfs/dbraw/zinc/69/73/62/711697362.db2.gz HXZYSBODBLVJFQ-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)c1cccc(C[NH3+])c1 ZINC000309760255 711700662 /nfs/dbraw/zinc/70/06/62/711700662.db2.gz IMSJNENYNRMETL-MRVPVSSYSA-N 2 0 207.277 0.222 20 0 BCADRP C[C@]1(C[NH3+])CC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724914140 711743746 /nfs/dbraw/zinc/74/37/46/711743746.db2.gz JGMZBHJEWQXMMM-VXGBXAGGSA-N 2 0 228.336 0.463 20 0 BCADRP Cc1cc(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])nn1C ZINC000925833870 711759856 /nfs/dbraw/zinc/75/98/56/711759856.db2.gz LCMNECFGKUUFMW-RYUDHWBXSA-N 2 0 222.336 0.740 20 0 BCADRP CC(C)C(=O)NCC[NH2+]CC1CC[NH+](C)CC1 ZINC000054240134 711782580 /nfs/dbraw/zinc/78/25/80/711782580.db2.gz JEACXTRUMYPTFJ-UHFFFAOYSA-N 2 0 241.379 0.690 20 0 BCADRP C[NH2+]CCC1CC[NH+](C[C@H](C)O)CC1 ZINC000069730453 711893413 /nfs/dbraw/zinc/89/34/13/711893413.db2.gz HWXWLJXVKPKTTL-JTQLQIEISA-N 2 0 200.326 0.689 20 0 BCADRP C(C[NH+]1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283371 711932216 /nfs/dbraw/zinc/93/22/16/711932216.db2.gz DRIVYNMQEHYKGU-TXEJJXNPSA-N 2 0 209.337 0.233 20 0 BCADRP CC(C)[C@H](O)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702287161 712045354 /nfs/dbraw/zinc/04/53/54/712045354.db2.gz HDNLEZQJYTVYGG-YNEHKIRRSA-N 2 0 226.364 0.887 20 0 BCADRP CN(C[C@@H](O)C[NH+]1CCCC1)CC1(C)COC1 ZINC000702971325 712062627 /nfs/dbraw/zinc/06/26/27/712062627.db2.gz GJFTXOQZDHNGRE-GFCCVEGCSA-N 2 0 242.363 0.411 20 0 BCADRP COC(=O)CCCC[N@H+](C)C[C@H](C)[NH3+] ZINC000707526443 712171683 /nfs/dbraw/zinc/17/16/83/712171683.db2.gz XWNTXWPGEUSMCK-VIFPVBQESA-N 2 0 202.298 0.609 20 0 BCADRP CCCCOC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708830379 712200224 /nfs/dbraw/zinc/20/02/24/712200224.db2.gz LZYCKTHJPXSTMH-YNEHKIRRSA-N 2 0 244.379 0.691 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000710868824 712260088 /nfs/dbraw/zinc/26/00/88/712260088.db2.gz JMBLGEVCCCVLPR-SRVKXCTJSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000379455642 712385105 /nfs/dbraw/zinc/38/51/05/712385105.db2.gz OIYLVDFSIQIWSM-XQQFMLRXSA-N 2 0 241.379 0.125 20 0 BCADRP CC[N@@H+](CC(=O)NC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000379776571 712398808 /nfs/dbraw/zinc/39/88/08/712398808.db2.gz DDMIVVMQRVQSBI-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715145349 712511836 /nfs/dbraw/zinc/51/18/36/712511836.db2.gz ZXSPZNZRGUOEAY-IUCAKERBSA-N 2 0 249.305 0.283 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000715124866 712510940 /nfs/dbraw/zinc/51/09/40/712510940.db2.gz SEPUZIDVGRGBDW-MXWKQRLJSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715490353 712522765 /nfs/dbraw/zinc/52/27/65/712522765.db2.gz JHFAJDWTFHBEPE-GMTAPVOTSA-N 2 0 200.326 0.830 20 0 BCADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)CC[NH2+]1 ZINC000715872855 712538105 /nfs/dbraw/zinc/53/81/05/712538105.db2.gz ZGEZTNILOAUZPL-UHFFFAOYSA-N 2 0 237.347 0.293 20 0 BCADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cn(C)nn1 ZINC000715877836 712538559 /nfs/dbraw/zinc/53/85/59/712538559.db2.gz PCUUTBWIFFNTTJ-JTQLQIEISA-N 2 0 225.340 0.808 20 0 BCADRP COC[C@](C)(CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000716934201 712597307 /nfs/dbraw/zinc/59/73/07/712597307.db2.gz DVCNLSMYGNLOHT-LBPRGKRZSA-N 2 0 230.352 0.315 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](CC(C)(C)O)C[C@@H]2C1 ZINC000380108071 712687791 /nfs/dbraw/zinc/68/77/91/712687791.db2.gz RFJPGSCTLKRDKG-MNOVXSKESA-N 2 0 212.337 0.641 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718157842 712749904 /nfs/dbraw/zinc/74/99/04/712749904.db2.gz WCXBOOCJLHPERX-KXNHARMFSA-N 2 0 210.321 0.420 20 0 BCADRP CCN(C)C[C@H](O)C[NH2+][C@@H](C)C(C)(C)OC ZINC000720250678 712829841 /nfs/dbraw/zinc/82/98/41/712829841.db2.gz RCFAFPNUOKLWDZ-WDEREUQCSA-N 2 0 232.368 0.702 20 0 BCADRP COC[C@@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000305144986 712840126 /nfs/dbraw/zinc/84/01/26/712840126.db2.gz RMCUGTASXCCYGS-ZDUSSCGKSA-N 2 0 242.363 0.458 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720904072 712875580 /nfs/dbraw/zinc/87/55/80/712875580.db2.gz WGWKBLQNRYCSSF-GMTAPVOTSA-N 2 0 225.336 0.419 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720897511 712876933 /nfs/dbraw/zinc/87/69/33/712876933.db2.gz HTKCPCDZEOIPMH-DCAQKATOSA-N 2 0 225.336 0.289 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C[C@H]1CCC[NH2+]1 ZINC000720896255 712876573 /nfs/dbraw/zinc/87/65/73/712876573.db2.gz PVSURXCYYHJAKG-UPJWGTAASA-N 2 0 223.364 0.907 20 0 BCADRP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000380983896 710596076 /nfs/dbraw/zinc/59/60/76/710596076.db2.gz JDAQXNRYFTVBHO-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)c1cccc(C[NH3+])c1 ZINC000381235184 710610975 /nfs/dbraw/zinc/61/09/75/710610975.db2.gz LTYWZDWHDCDMPD-QMMMGPOBSA-N 2 0 207.277 0.222 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)CCCCCC[NH3+] ZINC000381362012 710627252 /nfs/dbraw/zinc/62/72/52/710627252.db2.gz FEJGLRPDIGHBFR-JTQLQIEISA-N 2 0 215.341 0.749 20 0 BCADRP CN(CCN1CCOC1=O)CC(C)(C)[NH3+] ZINC000381416562 710634455 /nfs/dbraw/zinc/63/44/55/710634455.db2.gz UZACIVZMNRZYJQ-UHFFFAOYSA-N 2 0 215.297 0.108 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000381786366 710716143 /nfs/dbraw/zinc/71/61/43/710716143.db2.gz YWPWNWWFZAZTGY-QCNOEVLYSA-N 3 0 211.353 0.783 20 0 BCADRP C([C@@H]1CCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000381826948 710723562 /nfs/dbraw/zinc/72/35/62/710723562.db2.gz MOEQNSYQQYMVLK-SRVKXCTJSA-N 2 0 209.337 0.422 20 0 BCADRP C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)[C@H]1CCC[NH2+]1 ZINC000723600042 710728551 /nfs/dbraw/zinc/72/85/51/710728551.db2.gz PKDORBKJVKCCLR-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cc[nH]n2)C[C@H]1CC[NH3+] ZINC000723891105 710733473 /nfs/dbraw/zinc/73/34/73/710733473.db2.gz KTOBIONTXINRCY-NXEZZACHSA-N 2 0 208.309 0.826 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CC[NH3+] ZINC000723912617 710733923 /nfs/dbraw/zinc/73/39/23/710733923.db2.gz RAYVISHHUFJXMR-NXEZZACHSA-N 2 0 223.324 0.232 20 0 BCADRP CC(C)[C@](C)(CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000398579493 710910852 /nfs/dbraw/zinc/91/08/52/710910852.db2.gz SBKMEHSMCZSCIG-STQMWFEESA-N 2 0 244.379 0.440 20 0 BCADRP COCCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000133088590 710967565 /nfs/dbraw/zinc/96/75/65/710967565.db2.gz XIEUFCWTLFVGJJ-WDEREUQCSA-N 2 0 200.326 0.940 20 0 BCADRP C[C@@]1(C(N)=O)CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000382502890 710971535 /nfs/dbraw/zinc/97/15/35/710971535.db2.gz RXWAIBXQFDPTFH-GFCCVEGCSA-N 2 0 225.336 0.326 20 0 BCADRP COCCOCCOCCN1C[C@H]([NH3+])C[C@@H]1C ZINC000385241367 711008757 /nfs/dbraw/zinc/00/87/57/711008757.db2.gz LQNFGDJZWQYXMU-NWDGAFQWSA-N 2 0 246.351 0.088 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000380652899 712902180 /nfs/dbraw/zinc/90/21/80/712902180.db2.gz RDNGWQYQEZNHSV-ZJUUUORDSA-N 2 0 235.322 0.995 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccnc(N)c3)C[C@@H]2C1 ZINC000386621984 711034019 /nfs/dbraw/zinc/03/40/19/711034019.db2.gz MOUSBVPWPWHMLF-OLZOCXBDSA-N 2 0 246.358 0.878 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000389638140 711084190 /nfs/dbraw/zinc/08/41/90/711084190.db2.gz KCDUZFHDMPSXEV-PWSUYJOCSA-N 2 0 239.363 0.727 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000389664470 711085726 /nfs/dbraw/zinc/08/57/26/711085726.db2.gz STKMIYKSQJWWQN-RYUDHWBXSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1cccnc1Cl ZINC000389930708 711098568 /nfs/dbraw/zinc/09/85/68/711098568.db2.gz KXTUCKRJPFSYQF-UHFFFAOYSA-N 2 0 214.700 0.111 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000390206177 711108343 /nfs/dbraw/zinc/10/83/43/711108343.db2.gz SIVNHIAANVKUEV-UWVGGRQHSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@]1(C(N)=O)CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000390652975 711131190 /nfs/dbraw/zinc/13/11/90/711131190.db2.gz NZDCKQUYNRXBAL-SCVCMEIPSA-N 2 0 225.336 0.311 20 0 BCADRP [NH3+][C@H](CC(=O)NCC[N@H+]1CC=CCC1)C1CC1 ZINC000392793030 711152621 /nfs/dbraw/zinc/15/26/21/711152621.db2.gz ILIXGTKOEDPJRP-GFCCVEGCSA-N 2 0 237.347 0.492 20 0 BCADRP OC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCC1 ZINC000392835588 711153703 /nfs/dbraw/zinc/15/37/03/711153703.db2.gz KVQCPJBBAMDBRC-RNWYCLNJSA-N 2 0 222.332 0.487 20 0 BCADRP C[C@@H](NC(C[NH3+])C[NH3+])c1ccccc1F ZINC000393771484 711173552 /nfs/dbraw/zinc/17/35/52/711173552.db2.gz HLUVMXBWEHYBFS-MRVPVSSYSA-N 2 0 211.284 0.762 20 0 BCADRP CC[NH2+]CC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000393789215 711175198 /nfs/dbraw/zinc/17/51/98/711175198.db2.gz KJEDEKXOHJZJAY-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000394953740 711200273 /nfs/dbraw/zinc/20/02/73/711200273.db2.gz OOHUSFPHENIBFQ-ONGXEEELSA-N 2 0 225.336 0.337 20 0 BCADRP CN(C[C@@H](O)C[NH+]1CCCC1)C1(C[NH3+])CCC1 ZINC000395502183 711211636 /nfs/dbraw/zinc/21/16/36/711211636.db2.gz LKCMTRQWLKVFED-GFCCVEGCSA-N 2 0 241.379 0.256 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NCCOCC[NH+](C)C ZINC000396587810 711357297 /nfs/dbraw/zinc/35/72/97/711357297.db2.gz AYOOATVLPUPGEK-NWDGAFQWSA-N 2 0 229.368 0.295 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCC[N@@H+]1C ZINC000396604262 711360089 /nfs/dbraw/zinc/36/00/89/711360089.db2.gz OIMJNYSNROIZNQ-SDDRHHMPSA-N 2 0 211.353 0.811 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NCC[N@H+]1CC=CCC1 ZINC000396676184 711365302 /nfs/dbraw/zinc/36/53/02/711365302.db2.gz SZWDLEDUMABWNJ-CHWSQXEVSA-N 2 0 223.364 0.978 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000397595714 711387580 /nfs/dbraw/zinc/38/75/80/711387580.db2.gz LMRIXGUGQWCXDC-LBPRGKRZSA-N 2 0 240.347 0.725 20 0 BCADRP C[C@@H]1CN(CCOC(F)F)CC[C@@H]1[NH3+] ZINC000398176063 711404413 /nfs/dbraw/zinc/40/44/13/711404413.db2.gz KACHRZOUCKFAGB-SFYZADRCSA-N 2 0 208.252 0.895 20 0 BCADRP C[C@H](O)C[C@H](C)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000398691101 711414585 /nfs/dbraw/zinc/41/45/85/711414585.db2.gz RVEPRICRNFUJDH-CLSQCYNNSA-N 2 0 238.375 0.979 20 0 BCADRP CO[C@H]1CCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000380807636 710591329 /nfs/dbraw/zinc/59/13/29/710591329.db2.gz IUUKSSGSGUEUCN-RYUDHWBXSA-N 2 0 230.352 0.722 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000722057917 710602126 /nfs/dbraw/zinc/60/21/26/710602126.db2.gz XAYBQGIQPQPCIQ-NSHDSACASA-N 2 0 237.347 0.293 20 0 BCADRP Cn1ncc(CN[C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000389834301 711090616 /nfs/dbraw/zinc/09/06/16/711090616.db2.gz MIVRHBJSFHFWTJ-KOLCDFICSA-N 2 0 223.324 0.422 20 0 BCADRP C[NH+]1CCC(C[NH2+]CCCn2cncn2)CC1 ZINC000394226779 711188613 /nfs/dbraw/zinc/18/86/13/711188613.db2.gz KBFVKCMNPALPBT-UHFFFAOYSA-N 2 0 237.351 0.600 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NCC[N@H+]1CC=CCC1 ZINC000396676188 711363598 /nfs/dbraw/zinc/36/35/98/711363598.db2.gz SZWDLEDUMABWNJ-QWHCGFSZSA-N 2 0 223.364 0.978 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000396707765 711366581 /nfs/dbraw/zinc/36/65/81/711366581.db2.gz NWOCVKZXVDQBRR-GMXVVIOVSA-N 2 0 223.364 0.953 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]C[C@H]2CCC=CO2)CC1 ZINC000397595713 711387547 /nfs/dbraw/zinc/38/75/47/711387547.db2.gz LMRIXGUGQWCXDC-GFCCVEGCSA-N 2 0 240.347 0.725 20 0 BCADRP CO[C@H]1CCC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397661650 711388123 /nfs/dbraw/zinc/38/81/23/711388123.db2.gz DESIQRQHTPWRAH-NEPJUHHUSA-N 2 0 242.363 0.600 20 0 BCADRP C(C[C@@H]1CCOC1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000383182160 711456594 /nfs/dbraw/zinc/45/65/94/711456594.db2.gz PYYQPHPAQIJOAC-BBMNEWJDSA-N 2 0 236.359 0.999 20 0 BCADRP C(C[C@@H]1CCOC1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000383182163 711456977 /nfs/dbraw/zinc/45/69/77/711456977.db2.gz PYYQPHPAQIJOAC-QQOHENMQSA-N 2 0 236.359 0.999 20 0 BCADRP CCOC[C@@H](O)C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000713373504 711488582 /nfs/dbraw/zinc/48/85/82/711488582.db2.gz MJVWZHRDGNGYAN-LBPRGKRZSA-N 2 0 244.379 0.977 20 0 BCADRP C[NH+](C)CC1CN(C(=O)CC[NH2+]C(C)(C)C)C1 ZINC000382357102 711498649 /nfs/dbraw/zinc/49/86/49/711498649.db2.gz SXLOCYGOUJOPNR-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@@H]1C[C@H]1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000723090089 711501614 /nfs/dbraw/zinc/50/16/14/711501614.db2.gz SYZDOQRNZNNZHU-OLZOCXBDSA-N 2 0 225.380 0.870 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000891395802 711511031 /nfs/dbraw/zinc/51/10/31/711511031.db2.gz ZRKRFXGZWZCBSV-LBPRGKRZSA-N 2 0 239.363 0.526 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723699876 711534508 /nfs/dbraw/zinc/53/45/08/711534508.db2.gz WGNMLAZSAHEJBT-SNVBAGLBSA-N 2 0 214.309 0.610 20 0 BCADRP CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723697865 711534638 /nfs/dbraw/zinc/53/46/38/711534638.db2.gz CXVCWMKXJDMZBG-VHSXEESVSA-N 2 0 214.309 0.609 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000723699452 711534747 /nfs/dbraw/zinc/53/47/47/711534747.db2.gz SCXASFZUQLIIEN-JGVFFNPUSA-N 2 0 226.242 0.580 20 0 BCADRP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CC[NH3+] ZINC000723889975 711544075 /nfs/dbraw/zinc/54/40/75/711544075.db2.gz CGJDOMVELPVKBE-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP CCOCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723895697 711544186 /nfs/dbraw/zinc/54/41/86/711544186.db2.gz ZCBPPKJSGJWZMU-GHMZBOCLSA-N 2 0 200.326 0.940 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1CC[NH3+] ZINC000723907369 711544714 /nfs/dbraw/zinc/54/47/14/711544714.db2.gz ARHBXMNHMJMXDV-RKDXNWHRSA-N 2 0 226.349 0.955 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NCCC(C)(C)[NH3+] ZINC000892099686 711574666 /nfs/dbraw/zinc/57/46/66/711574666.db2.gz WCMPUDDAQGJOCZ-SECBINFHSA-N 2 0 230.356 0.411 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C[C@H]1C[NH3+] ZINC000724560878 711590827 /nfs/dbraw/zinc/59/08/27/711590827.db2.gz XMQJQPDCHARBPF-NJMOYASZSA-N 2 0 240.347 0.317 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])NCCOC ZINC000849000998 711591040 /nfs/dbraw/zinc/59/10/40/711591040.db2.gz NKLPGDVMYRWZRC-SNVBAGLBSA-N 2 0 230.356 0.477 20 0 BCADRP C[C@H](CNC1=[NH+]CCN1C)[NH+]1CCCC1 ZINC000308840832 711592472 /nfs/dbraw/zinc/59/24/72/711592472.db2.gz YFIWNSKBYHHYLA-SNVBAGLBSA-N 2 0 210.325 0.362 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724562562 711592482 /nfs/dbraw/zinc/59/24/82/711592482.db2.gz HJEZSAGBXAEUFO-KVSVUVNWSA-N 2 0 240.347 0.602 20 0 BCADRP C[N@H+](C[C@@H]1C[C@H]2COC[C@@H]2O1)C1CC[NH2+]CC1 ZINC000724565587 711593148 /nfs/dbraw/zinc/59/31/48/711593148.db2.gz XWTNMCOKAPULRD-DRZSPHRISA-N 2 0 240.347 0.474 20 0 BCADRP C[C@](O)(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC1 ZINC000383342624 711594563 /nfs/dbraw/zinc/59/45/63/711594563.db2.gz SFIHKLVTJGNHHH-NYUZBCECSA-N 2 0 236.359 0.733 20 0 BCADRP CC1([NH3+])CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000724612561 711598578 /nfs/dbraw/zinc/59/85/78/711598578.db2.gz KMEGMLHYIYPUGA-WOPDTQHZSA-N 2 0 240.347 0.604 20 0 BCADRP CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)CCCC[NH3+] ZINC000724872247 711621784 /nfs/dbraw/zinc/62/17/84/711621784.db2.gz KDNOFVNHICNUDF-QJPTWQEYSA-N 2 0 230.352 0.897 20 0 BCADRP CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000724874440 711622689 /nfs/dbraw/zinc/62/26/89/711622689.db2.gz VSXFRCHPFKVQAP-DDHJBXDOSA-N 2 0 228.336 0.650 20 0 BCADRP [NH3+]C[C@H]1CCC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724915822 711627481 /nfs/dbraw/zinc/62/74/81/711627481.db2.gz RQDGQKOQJFOJLH-NEPJUHHUSA-N 2 0 228.336 0.463 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@H]2CC23CC(O)C3)CC1 ZINC000724959252 711635146 /nfs/dbraw/zinc/63/51/46/711635146.db2.gz QDSCKPHXJHHMRJ-CPCZMJQVSA-N 2 0 224.348 0.831 20 0 BCADRP C[C@@H]1C[N@H+](CCO[C@H]2CCOC2)CC[C@@H]1C[NH3+] ZINC000724995989 711641851 /nfs/dbraw/zinc/64/18/51/711641851.db2.gz XSZCSKLWKMOMGU-UPJWGTAASA-N 2 0 242.363 0.709 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CCC[N@@H+]1C ZINC000396604264 711702747 /nfs/dbraw/zinc/70/27/47/711702747.db2.gz OIMJNYSNROIZNQ-TUAOUCFPSA-N 2 0 211.353 0.811 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000857107366 711710742 /nfs/dbraw/zinc/71/07/42/711710742.db2.gz SWSZHAYNWNJUSO-UWVGGRQHSA-N 2 0 242.367 0.493 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925719182 711715248 /nfs/dbraw/zinc/71/52/48/711715248.db2.gz QEQRUMQZRFUHEC-UXFOBHDTSA-N 2 0 221.348 0.323 20 0 BCADRP C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)C1CC[NH2+]CC1 ZINC000722253575 711731480 /nfs/dbraw/zinc/73/14/80/711731480.db2.gz OBCOLGDCNRJSFB-MDZLAQPJSA-N 2 0 225.380 0.914 20 0 BCADRP C[N@H+](CC1CC[NH2+]CC1)[C@H]1CCCCNC1=O ZINC000094024786 711736687 /nfs/dbraw/zinc/73/66/87/711736687.db2.gz OALXHMXXVOKUMQ-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000925788114 711751725 /nfs/dbraw/zinc/75/17/25/711751725.db2.gz YFCQXZDNDOMXAG-VOAKCMCISA-N 3 0 225.380 0.949 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875914 711761786 /nfs/dbraw/zinc/76/17/86/711761786.db2.gz OZECEJSRPHTDLI-WYUUTHIRSA-N 2 0 211.353 0.654 20 0 BCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1COC[C@H]1C ZINC000924989963 711767787 /nfs/dbraw/zinc/76/77/87/711767787.db2.gz FYFLSDJEBMWFAT-JHJVBQTASA-N 2 0 241.379 0.247 20 0 BCADRP C[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000928564417 711778442 /nfs/dbraw/zinc/77/84/42/711778442.db2.gz UHCPUQQNECTRLT-LLVKDONJSA-N 2 0 225.336 0.149 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000160065100 711805658 /nfs/dbraw/zinc/80/56/58/711805658.db2.gz OKSQREZFAICOET-NSHDSACASA-N 2 0 225.336 0.183 20 0 BCADRP COC[C@H](O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227735941 711832688 /nfs/dbraw/zinc/83/26/88/711832688.db2.gz ZGFRSMCEMZGGEI-GHMZBOCLSA-N 2 0 218.341 0.299 20 0 BCADRP CC[NH+](CC)CCNC1=[NH+]CCCCN1 ZINC000238243222 711888485 /nfs/dbraw/zinc/88/84/85/711888485.db2.gz SQHIAVKBQHHUTH-UHFFFAOYSA-N 2 0 212.341 0.657 20 0 BCADRP C[NH2+]CCC1CC[NH+](C[C@H](O)COC)CC1 ZINC000069730585 711893902 /nfs/dbraw/zinc/89/39/02/711893902.db2.gz VKBTVQJDEGVQFO-LBPRGKRZSA-N 2 0 230.352 0.315 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@H]1C[C@@H](OC)C1 ZINC000721917942 711919717 /nfs/dbraw/zinc/91/97/17/711919717.db2.gz CRQMCKSFTZFSJW-PHIMTYICSA-N 2 0 200.326 0.953 20 0 BCADRP C[C@H](O)CN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000700800016 712005767 /nfs/dbraw/zinc/00/57/67/712005767.db2.gz BSZZQUDCEXNKJN-YIZRAAEISA-N 2 0 240.269 0.826 20 0 BCADRP C[C@H](O)CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000700800004 712006153 /nfs/dbraw/zinc/00/61/53/712006153.db2.gz BSZZQUDCEXNKJN-DJLDLDEBSA-N 2 0 240.269 0.826 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702055366 712037570 /nfs/dbraw/zinc/03/75/70/712037570.db2.gz ICYAXWQAHGXXIW-CMPLNLGQSA-N 2 0 225.336 0.006 20 0 BCADRP OCC[C@H]1COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000702243862 712041464 /nfs/dbraw/zinc/04/14/64/712041464.db2.gz XVUVTZMTFHSSPM-LBPRGKRZSA-N 2 0 228.336 0.069 20 0 BCADRP CC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702268206 712044155 /nfs/dbraw/zinc/04/41/55/712044155.db2.gz SPSBFOKJBWYUCW-SDDRHHMPSA-N 2 0 212.337 0.641 20 0 BCADRP C[N@@H+]1C[C@@H]2CN(c3cc[nH+]c(CO)c3)C[C@]2(C)C1 ZINC000702287591 712045365 /nfs/dbraw/zinc/04/53/65/712045365.db2.gz MWPGXKVMNBXFGF-RISCZKNCSA-N 2 0 247.342 0.962 20 0 BCADRP C[N@@H+]1C[C@@H]2C[NH+](CC3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702333057 712047947 /nfs/dbraw/zinc/04/79/47/712047947.db2.gz DZPGRTYKWCVPMA-KGLIPLIRSA-N 3 0 237.391 0.870 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCOCCF)C12CCC2 ZINC000702654675 712058755 /nfs/dbraw/zinc/05/87/55/712058755.db2.gz QBXAQOBNAYBNSL-NXEZZACHSA-N 2 0 216.300 0.832 20 0 BCADRP OCC[C@@H]1COCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000702650544 712058757 /nfs/dbraw/zinc/05/87/57/712058757.db2.gz BBVPMSIUBTYZRP-CYBMUJFWSA-N 2 0 242.363 0.459 20 0 BCADRP C1C[C@@H]2C[C@H](N[C@H]3CNOC3)CC[N@@H+]2C1 ZINC000703308458 712072217 /nfs/dbraw/zinc/07/22/17/712072217.db2.gz CDOYFWYNQUASSM-OUAUKWLOSA-N 2 0 211.309 0.106 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1ncccc1Cl ZINC000704288851 712103146 /nfs/dbraw/zinc/10/31/46/712103146.db2.gz CWIYPEQLMKDBDO-UHFFFAOYSA-N 2 0 214.700 0.111 20 0 BCADRP CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001035052426 712111550 /nfs/dbraw/zinc/11/15/50/712111550.db2.gz NVSIYUTWJQPKHC-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP CC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001035126241 712114111 /nfs/dbraw/zinc/11/41/11/712114111.db2.gz WAVVBSWIXJGMGI-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP CCO[C@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000706542450 712149173 /nfs/dbraw/zinc/14/91/73/712149173.db2.gz LOLNTRFSKRLVHR-JTQLQIEISA-N 2 0 202.298 0.073 20 0 BCADRP CSC1CC([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000706888255 712159082 /nfs/dbraw/zinc/15/90/82/712159082.db2.gz NNUXGMOWPZPCEQ-UHFFFAOYSA-N 2 0 244.404 0.927 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCn1cccn1)C2 ZINC000709825396 712228895 /nfs/dbraw/zinc/22/88/95/712228895.db2.gz XNMIWBROHLETTH-TUAOUCFPSA-N 2 0 220.320 0.695 20 0 BCADRP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000710563498 712230626 /nfs/dbraw/zinc/23/06/26/712230626.db2.gz WHRFFQWMGHSSRG-LBPRGKRZSA-N 2 0 242.363 0.554 20 0 BCADRP [NH3+]CC(C[NH3+])NCCc1c(F)cccc1Cl ZINC000710057196 712243553 /nfs/dbraw/zinc/24/35/53/712243553.db2.gz PHPGWJFPDMWDRH-UHFFFAOYSA-N 2 0 245.729 0.897 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710974154 712270839 /nfs/dbraw/zinc/27/08/39/712270839.db2.gz ZTQNOYLVDJYEKO-HAQNSBGRSA-N 2 0 241.379 0.962 20 0 BCADRP COC1(OC)CC[C@H]1[NH2+]C1CCN(C)CC1 ZINC000711043006 712276094 /nfs/dbraw/zinc/27/60/94/712276094.db2.gz UGJPQBNNWLPMEH-LLVKDONJSA-N 2 0 228.336 0.822 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711313095 712293628 /nfs/dbraw/zinc/29/36/28/712293628.db2.gz VNFRUEOOEWOFQW-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP FC[C@@H]1CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000711452708 712301307 /nfs/dbraw/zinc/30/13/07/712301307.db2.gz HCCWOYKTGUSNQL-NSHDSACASA-N 2 0 215.316 0.183 20 0 BCADRP CCO[C@@H]1C[N@H+](CCOC2CC2)C[C@H]1C[NH3+] ZINC000711776075 712327900 /nfs/dbraw/zinc/32/79/00/712327900.db2.gz FCXNTJZAOBYSEI-ZYHUDNBSSA-N 2 0 228.336 0.461 20 0 BCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479756 712334220 /nfs/dbraw/zinc/33/42/20/712334220.db2.gz SLNHJRUFUWPJGT-QWHCGFSZSA-N 2 0 244.379 0.691 20 0 BCADRP NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923487806 712334638 /nfs/dbraw/zinc/33/46/38/712334638.db2.gz NVYFLOLFURCTOY-YPMHNXCESA-N 2 0 247.342 0.884 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923479770 712334786 /nfs/dbraw/zinc/33/47/86/712334786.db2.gz SOIIPACRTSXBEU-NWDGAFQWSA-N 3 0 239.363 0.036 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480383 712335056 /nfs/dbraw/zinc/33/50/56/712335056.db2.gz XYKQPQRWWVABFH-UWVGGRQHSA-N 2 0 218.366 0.381 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000390469216 712418807 /nfs/dbraw/zinc/41/88/07/712418807.db2.gz IPXJUHVVBALXLW-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP COC[C@H](C[N@@H+]1CC[NH2+]CCC1(C)C)OC ZINC000712586633 712434498 /nfs/dbraw/zinc/43/44/98/712434498.db2.gz BPUIBJRXJQNVGB-NSHDSACASA-N 2 0 230.352 0.722 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712621232 712438668 /nfs/dbraw/zinc/43/86/68/712438668.db2.gz HCJDJSUGVVPXOY-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)CCC1(C)C ZINC000712668250 712439870 /nfs/dbraw/zinc/43/98/70/712439870.db2.gz HTXNKTBAWQUHBW-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712667909 712439935 /nfs/dbraw/zinc/43/99/35/712439935.db2.gz DGMAZJONMBCECV-JTQLQIEISA-N 2 0 227.352 0.666 20 0 BCADRP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000714244325 712479996 /nfs/dbraw/zinc/47/99/96/712479996.db2.gz HONQEYXNQFYDHP-LMLFDSFASA-N 2 0 246.376 0.422 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000715124868 712510961 /nfs/dbraw/zinc/51/09/61/712510961.db2.gz SEPUZIDVGRGBDW-VWYCJHECSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H](O)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715490354 712523092 /nfs/dbraw/zinc/52/30/92/712523092.db2.gz JHFAJDWTFHBEPE-MXWKQRLJSA-N 2 0 200.326 0.830 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000715573341 712529282 /nfs/dbraw/zinc/52/92/82/712529282.db2.gz QBKKZIJRASAIQB-WDEREUQCSA-N 2 0 239.363 0.857 20 0 BCADRP C1C[C@H]([NH2+]C2CCC3(CC2)OCCO3)C[NH2+]1 ZINC000715731316 712531280 /nfs/dbraw/zinc/53/12/80/712531280.db2.gz KMNBMNCKLBDFRD-NSHDSACASA-N 2 0 226.320 0.624 20 0 BCADRP CC(C)(C)[NH2+]CCC(=O)NC12CC[NH+](CC1)C2 ZINC000715853319 712536613 /nfs/dbraw/zinc/53/66/13/712536613.db2.gz SLLJGRPVTMTYDU-UHFFFAOYSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH+]1CCC(C[NH2+]CC[C@H](O)C(F)F)CC1 ZINC000716696281 712570418 /nfs/dbraw/zinc/57/04/18/712570418.db2.gz HGRBAKFUJMICJE-JTQLQIEISA-N 2 0 236.306 0.934 20 0 BCADRP CC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)OCCO1 ZINC000716903922 712581351 /nfs/dbraw/zinc/58/13/51/712581351.db2.gz SJALEYQAKKXMGC-GRYCIOLGSA-N 2 0 240.347 0.727 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000876795672 712629669 /nfs/dbraw/zinc/62/96/69/712629669.db2.gz HLVUTAJJSNMPHM-LMLFDSFASA-N 2 0 243.326 0.143 20 0 BCADRP C[C@H](CNC(=[NH2+])NC1CC1)[N@H+](C)C1CC1 ZINC000221246926 712658802 /nfs/dbraw/zinc/65/88/02/712658802.db2.gz MQIBCTPKVVSINV-MRVPVSSYSA-N 2 0 210.325 0.745 20 0 BCADRP CC1(C)[C@H]([NH2+]C/C=C/CO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000717533551 712660443 /nfs/dbraw/zinc/66/04/43/712660443.db2.gz VRDRFDPCKMXXMS-SPXIEQKPSA-N 2 0 224.348 0.901 20 0 BCADRP OCC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCC1 ZINC000717621865 712662864 /nfs/dbraw/zinc/66/28/64/712662864.db2.gz LQJKAJWLVPIJRM-OBPIAQAESA-N 2 0 236.359 0.735 20 0 BCADRP C[NH+](C)C1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000037612335 712679233 /nfs/dbraw/zinc/67/92/33/712679233.db2.gz SAARZQTZLLHREN-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000925495403 712698621 /nfs/dbraw/zinc/69/86/21/712698621.db2.gz NBTPVSCYAGJTQZ-CMPLNLGQSA-N 2 0 223.364 0.953 20 0 BCADRP C[NH2+]CC1CC[NH+](C(COC)COC)CC1 ZINC000384913773 712704768 /nfs/dbraw/zinc/70/47/68/712704768.db2.gz DXHRAVWPHQIXAC-UHFFFAOYSA-N 2 0 230.352 0.579 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)CCCCCC[NH3+])C1 ZINC000037647114 712733751 /nfs/dbraw/zinc/73/37/51/712733751.db2.gz JBQFOHDKCUJERC-GFCCVEGCSA-N 2 0 241.379 0.964 20 0 BCADRP CCC[N@H+](C[C@H](C)O)C1CC[NH2+]CC1 ZINC000037688246 712738965 /nfs/dbraw/zinc/73/89/65/712738965.db2.gz QXOPBOFXLRRCOU-JTQLQIEISA-N 2 0 200.326 0.831 20 0 BCADRP O=C1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000719255271 712801812 /nfs/dbraw/zinc/80/18/12/712801812.db2.gz SCJFRIBGWDSDEW-YOGCLGLASA-N 2 0 237.347 0.339 20 0 BCADRP Cc1cc(N[C@H]2CC[N@H+](C)[C@@H]2C)nc(N)[nH+]1 ZINC000719364737 712805881 /nfs/dbraw/zinc/80/58/81/712805881.db2.gz GSOXXUXUIXEJAH-BDAKNGLRSA-N 2 0 221.308 0.872 20 0 BCADRP C[C@H]1[C@@H](NC(=O)CC[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC000719477865 712808487 /nfs/dbraw/zinc/80/84/87/712808487.db2.gz YEHIJRDAXVDQPU-QWRGUYRKSA-N 2 0 241.379 0.973 20 0 BCADRP C[C@@H]1[C@H](NC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000719610848 712816566 /nfs/dbraw/zinc/81/65/66/712816566.db2.gz CMTBAYFUEKZNHA-ZYHUDNBSSA-N 2 0 211.353 0.763 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720888198 712874590 /nfs/dbraw/zinc/87/45/90/712874590.db2.gz MHRJRNGKPGXDPE-OUAUKWLOSA-N 2 0 225.336 0.276 20 0 BCADRP CN1CCC[C@H]2[C@H]1CC[N@@H+]2CCOCC[NH3+] ZINC000720890336 712875417 /nfs/dbraw/zinc/87/54/17/712875417.db2.gz LRGLTITZKCHIPW-NEPJUHHUSA-N 2 0 227.352 0.130 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CCC[NH3+] ZINC000720901651 712875779 /nfs/dbraw/zinc/87/57/79/712875779.db2.gz SVDGVQIWFIMOCU-GHMZBOCLSA-N 2 0 225.336 0.420 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720896764 712876762 /nfs/dbraw/zinc/87/67/62/712876762.db2.gz DNYZAMFRMPHSFK-GRYCIOLGSA-N 2 0 239.363 0.680 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@@H]1C[NH2+]CCO1 ZINC000720904158 712877058 /nfs/dbraw/zinc/87/70/58/712877058.db2.gz YZZQTVNSDLHGOC-RWMBFGLXSA-N 2 0 239.363 0.143 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720904917 712877121 /nfs/dbraw/zinc/87/71/21/712877121.db2.gz XSTFVFIQPBRWPL-TUAOUCFPSA-N 2 0 239.363 0.537 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CC1([NH3+])CC1 ZINC000720907454 712877258 /nfs/dbraw/zinc/87/72/58/712877258.db2.gz OYVWUNCLFJCTCI-GHMZBOCLSA-N 2 0 237.347 0.563 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720946583 712881558 /nfs/dbraw/zinc/88/15/58/712881558.db2.gz GZOZDBYJKKZLPQ-DCAQKATOSA-N 2 0 200.326 0.864 20 0 BCADRP CC(=O)N1CCCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000721039769 712887939 /nfs/dbraw/zinc/88/79/39/712887939.db2.gz KOOUSJLNQMNREH-YPMHNXCESA-N 2 0 239.363 0.396 20 0 BCADRP C[N@@H+]1CCO[C@@H]2CN(c3cccc(N)[nH+]3)C[C@H]21 ZINC001164669115 719381325 /nfs/dbraw/zinc/38/13/25/719381325.db2.gz PYKZUBNJKOSOHG-NXEZZACHSA-N 2 0 234.303 0.183 20 0 BCADRP Cc1c[nH+]c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1N ZINC001164666006 719427539 /nfs/dbraw/zinc/42/75/39/719427539.db2.gz AJRCKJKSBKUSMP-NWDGAFQWSA-N 2 0 248.330 0.491 20 0 BCADRP Cc1c[nH+]c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1N ZINC001164666002 719427647 /nfs/dbraw/zinc/42/76/47/719427647.db2.gz AJRCKJKSBKUSMP-NEPJUHHUSA-N 2 0 248.330 0.491 20 0 BCADRP CC[NH2+]CCNC(=O)N1CC[NH+](C(C)C)CC1 ZINC000418326611 192025111 /nfs/dbraw/zinc/02/51/11/192025111.db2.gz OPOLLLCLUATELS-UHFFFAOYSA-N 2 0 242.367 0.332 20 0 BCADRP CC[NH2+]CCNC(=O)N1CCC[N@H+](CC)CC1 ZINC000418332073 192025550 /nfs/dbraw/zinc/02/55/50/192025550.db2.gz YKPQDXOWTGUYTR-UHFFFAOYSA-N 2 0 242.367 0.333 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000054129068 168321207 /nfs/dbraw/zinc/32/12/07/168321207.db2.gz OCTGXAOWHJRDHU-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC1CC[NH+](C)CC1 ZINC000044762597 168321551 /nfs/dbraw/zinc/32/15/51/168321551.db2.gz BIVATOIIWMQZPS-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[N@H+](C)C1CC1 ZINC000649319614 398142815 /nfs/dbraw/zinc/14/28/15/398142815.db2.gz JZJDQIZCGLJUJY-SPFNVWMYSA-N 2 0 237.347 0.336 20 0 BCADRP CC[C@@H]([NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319326 398142821 /nfs/dbraw/zinc/14/28/21/398142821.db2.gz YCLGWYJRPAJCGM-LLVKDONJSA-N 2 0 245.286 0.943 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@@H](C)CC[NH3+] ZINC000336733959 168322493 /nfs/dbraw/zinc/32/24/93/168322493.db2.gz GXQDDJLRHLNRAB-VIFPVBQESA-N 2 0 215.341 0.605 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000337545510 168323112 /nfs/dbraw/zinc/32/31/12/168323112.db2.gz LIBKYCUVLWXPGZ-JTQLQIEISA-N 2 0 229.368 0.851 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000649322814 398144644 /nfs/dbraw/zinc/14/46/44/398144644.db2.gz NXJHRDLCKMTRTP-TUAOUCFPSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)(C[NH3+])NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418342105 192025898 /nfs/dbraw/zinc/02/58/98/192025898.db2.gz IIARZWZKFQSOCM-JTQLQIEISA-N 2 0 242.367 0.413 20 0 BCADRP CC(C)(C[NH3+])NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418342106 192026346 /nfs/dbraw/zinc/02/63/46/192026346.db2.gz IIARZWZKFQSOCM-SNVBAGLBSA-N 2 0 242.367 0.413 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000062902389 349496097 /nfs/dbraw/zinc/49/60/97/349496097.db2.gz UHBNREILEZWOTA-YPMHNXCESA-N 2 0 239.363 0.444 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973209 349503000 /nfs/dbraw/zinc/50/30/00/349503000.db2.gz KDOZPDXZIHJENL-GFCCVEGCSA-N 2 0 237.347 0.435 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[N@@H+]1C ZINC000649333368 398149747 /nfs/dbraw/zinc/14/97/47/398149747.db2.gz PHKGJGFXJPZLFN-KQSJRHEJSA-N 2 0 237.347 0.336 20 0 BCADRP C[C@@H](C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000649354135 398167440 /nfs/dbraw/zinc/16/74/40/398167440.db2.gz KITIJDQKFAHGAB-GXSJLCMTSA-N 2 0 225.336 0.289 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[NH+](C)C ZINC000649355742 398167833 /nfs/dbraw/zinc/16/78/33/398167833.db2.gz FKIMDGKFLCIYIK-YFKTTZPYSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000649355333 398168980 /nfs/dbraw/zinc/16/89/80/398168980.db2.gz HCEKUXPUVDGPFG-LPEHRKFASA-N 2 0 213.325 0.132 20 0 BCADRP C[C@@H](C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)[NH+](C)C ZINC000649356252 398170545 /nfs/dbraw/zinc/17/05/45/398170545.db2.gz HRRRVSVAOMPLLJ-GUBZILKMSA-N 2 0 213.325 0.051 20 0 BCADRP C[C@@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+](C)C ZINC000649356255 398170579 /nfs/dbraw/zinc/17/05/79/398170579.db2.gz HRRRVSVAOMPLLJ-UTLUCORTSA-N 2 0 213.325 0.051 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)[NH+](C)C ZINC000649360202 398172875 /nfs/dbraw/zinc/17/28/75/398172875.db2.gz MSWODYUTWRQDEH-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H](C(=O)N1CCCC[C@H]1CC[NH3+])[NH+](C)C ZINC000649362085 398175137 /nfs/dbraw/zinc/17/51/37/398175137.db2.gz RJPBKKLZTRNYBA-QWRGUYRKSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C)[NH+](C)C ZINC000649361847 398175470 /nfs/dbraw/zinc/17/54/70/398175470.db2.gz GRSPHDIVHXDESV-CHWFTXMASA-N 2 0 227.352 0.439 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000390515407 398177033 /nfs/dbraw/zinc/17/70/33/398177033.db2.gz CSYOIBBFYQDXOP-AATLWQCWSA-N 2 0 213.325 0.356 20 0 BCADRP C[C@@H](C(=O)N(C)[C@H](C[NH3+])C1CC1)[NH+](C)C ZINC000649367342 398179860 /nfs/dbraw/zinc/17/98/60/398179860.db2.gz QIQFEYWSGWSAQX-WCBMZHEXSA-N 2 0 213.325 0.132 20 0 BCADRP c1cc2c(c(C[NH2+]C[C@@H]3CNCCO3)c1)NCC2 ZINC000415095199 398160715 /nfs/dbraw/zinc/16/07/15/398160715.db2.gz LUTMMGXVWCAFSW-ZDUSSCGKSA-N 2 0 247.342 0.733 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)CCC(C)(C)[NH3+] ZINC000380151646 398186100 /nfs/dbraw/zinc/18/61/00/398186100.db2.gz XWIVOALERWZMMS-QMMMGPOBSA-N 2 0 201.314 0.215 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000649374999 398187048 /nfs/dbraw/zinc/18/70/48/398187048.db2.gz DGZCAARHLZSFOH-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000576225488 365528903 /nfs/dbraw/zinc/52/89/03/365528903.db2.gz PHQPWKMFDSFVQY-JBLDHEPKSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000576230841 365531554 /nfs/dbraw/zinc/53/15/54/365531554.db2.gz PUYBNMRNVPZTRZ-RKDXNWHRSA-N 2 0 249.305 0.427 20 0 BCADRP OC[C@H](CC(F)F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647795563 398196722 /nfs/dbraw/zinc/19/67/22/398196722.db2.gz RZAUSRZULXQKMC-DBIOUOCHSA-N 2 0 248.317 0.980 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000390669964 398201025 /nfs/dbraw/zinc/20/10/25/398201025.db2.gz SOUCXRMSIYXURL-MWLCHTKSSA-N 2 0 225.336 0.134 20 0 BCADRP Cc1ncc(C[NH2+]CCC2CC(O)C2)n1C ZINC000576292754 365556914 /nfs/dbraw/zinc/55/69/14/365556914.db2.gz YMVMUXTXNBIFPN-UHFFFAOYSA-N 2 0 223.320 0.979 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000580539691 365559771 /nfs/dbraw/zinc/55/97/71/365559771.db2.gz FJWAPZZEDIWJJL-YPMHNXCESA-N 2 0 249.358 0.752 20 0 BCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CC[NH2+]2)C1 ZINC000576270926 365543557 /nfs/dbraw/zinc/54/35/57/365543557.db2.gz LZQFZYBXACKWIQ-IJLUTSLNSA-N 2 0 237.347 0.291 20 0 BCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)[C@H]2CC[NH2+]2)C1 ZINC000576270929 365544031 /nfs/dbraw/zinc/54/40/31/365544031.db2.gz LZQFZYBXACKWIQ-UTUOFQBUSA-N 2 0 237.347 0.291 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000446391555 398204358 /nfs/dbraw/zinc/20/43/58/398204358.db2.gz AGLLMHYGVAPDAD-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP CN(C(=O)CCC[NH3+])[C@H]1C[NH+]2CCC1CC2 ZINC000380677303 398205558 /nfs/dbraw/zinc/20/55/58/398205558.db2.gz DVNXRKWBEGGGRE-NSHDSACASA-N 2 0 225.336 0.278 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000446404485 398206155 /nfs/dbraw/zinc/20/61/55/398206155.db2.gz DXLBAGXHOGIBNY-GRYCIOLGSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](C[NH3+])C(C)C ZINC000336697768 398200641 /nfs/dbraw/zinc/20/06/41/398200641.db2.gz ZHQVWQJLHRSLII-UWVGGRQHSA-N 2 0 215.341 0.317 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638970763 398214661 /nfs/dbraw/zinc/21/46/61/398214661.db2.gz VDQKQOWUPWPJAD-DCAQKATOSA-N 2 0 227.352 0.748 20 0 BCADRP C[NH2+]CCCN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000649412586 398215137 /nfs/dbraw/zinc/21/51/37/398215137.db2.gz ULFQOPHZTYOVDO-QWHCGFSZSA-N 2 0 241.379 0.127 20 0 BCADRP CN(C[C@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000649412603 398215205 /nfs/dbraw/zinc/21/52/05/398215205.db2.gz WWIDQCBKOCXMSE-WCQYABFASA-N 2 0 223.364 0.764 20 0 BCADRP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H](C)O ZINC000386680843 398216407 /nfs/dbraw/zinc/21/64/07/398216407.db2.gz IFBUMRZMDJKMBW-SRVKXCTJSA-N 2 0 230.352 0.192 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC[NH2+]1 ZINC000647807570 398216529 /nfs/dbraw/zinc/21/65/29/398216529.db2.gz VIFRLRGRWXLGBR-IUCAKERBSA-N 2 0 247.289 0.052 20 0 BCADRP C[C@H]([NH3+])CN1CCN(c2cc[nH+]cc2)CC1 ZINC000649414664 398218508 /nfs/dbraw/zinc/21/85/08/398218508.db2.gz QAKRPFOOGXHTDP-NSHDSACASA-N 2 0 220.320 0.551 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)N(C)CCC[NH3+])CC[N@@H+]1C ZINC000576361080 365577960 /nfs/dbraw/zinc/57/79/60/365577960.db2.gz MMLJVUSBFHDLNO-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H]1CCN(CCn2cccn2)[C@H](C[NH3+])C1 ZINC000082643443 136221897 /nfs/dbraw/zinc/22/18/97/136221897.db2.gz QQRGZZUQSFSFNM-NEPJUHHUSA-N 2 0 222.336 0.942 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000576412502 365590948 /nfs/dbraw/zinc/59/09/48/365590948.db2.gz NFSVNWPGNMVWFJ-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418397633 192032815 /nfs/dbraw/zinc/03/28/15/192032815.db2.gz DIOWRPSODZVMDS-DJLDLDEBSA-N 2 0 216.329 0.005 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418373515 192029698 /nfs/dbraw/zinc/02/96/98/192029698.db2.gz BWVKAJWQEWUNRW-SNVBAGLBSA-N 2 0 242.367 0.365 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000418395370 192033017 /nfs/dbraw/zinc/03/30/17/192033017.db2.gz BYECPEHZEUIYNH-GHMZBOCLSA-N 2 0 242.367 0.363 20 0 BCADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCN1CCCC1=O ZINC000430564858 398227691 /nfs/dbraw/zinc/22/76/91/398227691.db2.gz CWSIHZPGTXAPKX-LBPRGKRZSA-N 2 0 241.379 0.914 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418383723 192030846 /nfs/dbraw/zinc/03/08/46/192030846.db2.gz ZSDWXRNRZYUIFT-UWVGGRQHSA-N 2 0 228.340 0.021 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418383721 192030907 /nfs/dbraw/zinc/03/09/07/192030907.db2.gz ZSDWXRNRZYUIFT-NXEZZACHSA-N 2 0 228.340 0.021 20 0 BCADRP [NH3+][C@H](CNC(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000418389019 192031865 /nfs/dbraw/zinc/03/18/65/192031865.db2.gz SXDPJBUYOAXKGE-NWDGAFQWSA-N 2 0 248.330 0.348 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418389249 192032031 /nfs/dbraw/zinc/03/20/31/192032031.db2.gz WEKUBIIYMKUXIA-JTQLQIEISA-N 2 0 242.367 0.378 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418394654 192032216 /nfs/dbraw/zinc/03/22/16/192032216.db2.gz YCIOTNVGFXKOIA-MWLCHTKSSA-N 2 0 242.367 0.540 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NC(C)(C)C[NH+](C)C ZINC000418395310 192032347 /nfs/dbraw/zinc/03/23/47/192032347.db2.gz BQVZNYJNDCHMII-SNVBAGLBSA-N 2 0 244.383 0.609 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418415661 192034690 /nfs/dbraw/zinc/03/46/90/192034690.db2.gz STGOFTLGQZXRJS-OUAUKWLOSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418415660 192034741 /nfs/dbraw/zinc/03/47/41/192034741.db2.gz STGOFTLGQZXRJS-MXWKQRLJSA-N 2 0 242.367 0.540 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000418414126 192034775 /nfs/dbraw/zinc/03/47/75/192034775.db2.gz KWRIISKWODMHDU-UHFFFAOYSA-N 2 0 230.356 0.350 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000430759005 398230780 /nfs/dbraw/zinc/23/07/80/398230780.db2.gz FAWGICLFOIDAFB-OUAUKWLOSA-N 2 0 227.352 0.713 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000418413342 192034950 /nfs/dbraw/zinc/03/49/50/192034950.db2.gz QQVGUKAXHIMOOK-GMTAPVOTSA-N 2 0 240.351 0.247 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000418413339 192035115 /nfs/dbraw/zinc/03/51/15/192035115.db2.gz QQVGUKAXHIMOOK-AXFHLTTASA-N 2 0 240.351 0.247 20 0 BCADRP C[C@H](CNC(=O)C[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000430759973 398231113 /nfs/dbraw/zinc/23/11/13/398231113.db2.gz HTTZKBDUMIKJRV-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000430758998 398231156 /nfs/dbraw/zinc/23/11/56/398231156.db2.gz FAWGICLFOIDAFB-GMTAPVOTSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H](CNC(=O)CC[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000430764792 398231190 /nfs/dbraw/zinc/23/11/90/398231190.db2.gz TWULJYSJZVTCOI-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]1CN(C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000334317554 136225470 /nfs/dbraw/zinc/22/54/70/136225470.db2.gz QPIRVTMACBGXHE-QWRGUYRKSA-N 2 0 225.336 0.243 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NCC[C@H](C)[NH3+] ZINC000418435123 192035812 /nfs/dbraw/zinc/03/58/12/192035812.db2.gz HFAJRIHDDHUOQY-VIFPVBQESA-N 2 0 230.356 0.540 20 0 BCADRP CCCN(C(=O)NCC(C)(C)[NH3+])[C@H]1CC[NH2+]C1 ZINC000418417848 192035422 /nfs/dbraw/zinc/03/54/22/192035422.db2.gz VWUBZFRGGDBLFC-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP C[NH2+]CCN(C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418439623 192035972 /nfs/dbraw/zinc/03/59/72/192035972.db2.gz JXNSINFSZGFJJV-SNVBAGLBSA-N 2 0 230.356 0.221 20 0 BCADRP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C1CCC1 ZINC000629943937 361789588 /nfs/dbraw/zinc/78/95/88/361789588.db2.gz DMVHEYRDRFEKKR-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)C ZINC000629946909 361794147 /nfs/dbraw/zinc/79/41/47/361794147.db2.gz DPVQFBNSXCMLHO-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NCC([NH3+])(CC)CC ZINC000418437832 192035534 /nfs/dbraw/zinc/03/55/34/192035534.db2.gz LCDNIGGVMNNUBS-SNVBAGLBSA-N 2 0 244.383 0.801 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000418444791 192036182 /nfs/dbraw/zinc/03/61/82/192036182.db2.gz XALYTRHGVNJFRU-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H](C)C[NH3+] ZINC000418442633 192036488 /nfs/dbraw/zinc/03/64/88/192036488.db2.gz KEBDSDZYRYHJNE-NXEZZACHSA-N 2 0 230.356 0.493 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC[NH2+]CC1 ZINC000418443929 192036557 /nfs/dbraw/zinc/03/65/57/192036557.db2.gz LPCXSDPXTHQCFG-LLVKDONJSA-N 2 0 242.367 0.509 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@H](C)CCC[NH3+] ZINC000418445031 192036818 /nfs/dbraw/zinc/03/68/18/192036818.db2.gz MTBRMQPGVQTEKK-GHMZBOCLSA-N 2 0 244.383 0.931 20 0 BCADRP CCC(CC)C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000308932928 168362101 /nfs/dbraw/zinc/36/21/01/168362101.db2.gz MWRHCDZMOGWOPD-QWRGUYRKSA-N 2 0 200.326 0.593 20 0 BCADRP C[C@@H]1CN(C(=O)C2([NH3+])CCC2)CC[C@H]1[NH3+] ZINC000576517015 365614713 /nfs/dbraw/zinc/61/47/13/365614713.db2.gz RSSQNYMRIHLHCJ-RKDXNWHRSA-N 2 0 211.309 0.064 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N(C)CC[NH+](C)C ZINC000418425881 192037340 /nfs/dbraw/zinc/03/73/40/192037340.db2.gz KPKCHZKJOLNIHX-UHFFFAOYSA-N 2 0 244.383 0.707 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000134102858 398240781 /nfs/dbraw/zinc/24/07/81/398240781.db2.gz QYEVCICQNHDDPN-UWVGGRQHSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000576584224 365630056 /nfs/dbraw/zinc/63/00/56/365630056.db2.gz BLXHHCUEEQBILB-ZDUSSCGKSA-N 2 0 235.331 0.846 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)NCC[N@H+](C)C1CC1 ZINC000417630152 398245613 /nfs/dbraw/zinc/24/56/13/398245613.db2.gz TUWJWXGNYACUDI-JTQLQIEISA-N 2 0 242.367 0.235 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195253716 136229385 /nfs/dbraw/zinc/22/93/85/136229385.db2.gz IREGBRLDBKFTQG-PHIMTYICSA-N 2 0 225.336 0.004 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H](C)[NH+](C)C ZINC000390772724 398246138 /nfs/dbraw/zinc/24/61/38/398246138.db2.gz XJBIEJSYTYLWMI-VIFPVBQESA-N 2 0 201.314 0.052 20 0 BCADRP C[C@](CN)([NH2+]CC1CC[NH2+]CC1)C1CC1 ZINC000381404429 398255976 /nfs/dbraw/zinc/25/59/76/398255976.db2.gz QWYMYQVPGKQLHA-GFCCVEGCSA-N 2 0 211.353 0.703 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000381414017 398256392 /nfs/dbraw/zinc/25/63/92/398256392.db2.gz UHTMLHHKAGSWMU-IVZWLZJFSA-N 2 0 213.325 0.038 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000381483395 398259356 /nfs/dbraw/zinc/25/93/56/398259356.db2.gz UGPZGYMAGPBIBH-NSHDSACASA-N 2 0 213.325 0.372 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000381414012 398256512 /nfs/dbraw/zinc/25/65/12/398256512.db2.gz UHTMLHHKAGSWMU-AEJSXWLSSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000576701832 365662480 /nfs/dbraw/zinc/66/24/80/365662480.db2.gz FGWRYKKGASPGCW-DTWKUNHWSA-N 2 0 221.304 0.670 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000576702070 365663201 /nfs/dbraw/zinc/66/32/01/365663201.db2.gz KEIUBNGCFLPILJ-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000381462458 398258717 /nfs/dbraw/zinc/25/87/17/398258717.db2.gz LMYAIIPLTZEFNI-BBBLOLIVSA-N 2 0 213.325 0.310 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000381485723 398259027 /nfs/dbraw/zinc/25/90/27/398259027.db2.gz IGQNWLUSJGLDQN-VHSXEESVSA-N 2 0 213.325 0.243 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000381485721 398259086 /nfs/dbraw/zinc/25/90/86/398259086.db2.gz IGQNWLUSJGLDQN-NXEZZACHSA-N 2 0 213.325 0.243 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCC(C)([NH3+])CC1 ZINC000381538171 398262611 /nfs/dbraw/zinc/26/26/11/398262611.db2.gz HKJFVMCBOKKIEM-UHFFFAOYSA-N 2 0 213.325 0.454 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000418471421 192039006 /nfs/dbraw/zinc/03/90/06/192039006.db2.gz MDVNUGUVETZJSL-LLVKDONJSA-N 2 0 242.367 0.317 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418479696 192039423 /nfs/dbraw/zinc/03/94/23/192039423.db2.gz AUPQFJGQQJIIJJ-SCZZXKLOSA-N 2 0 228.340 0.021 20 0 BCADRP [NH3+][C@@H](CNC(=O)C1([NH3+])CCCC1)C1CC1 ZINC000381643571 398268126 /nfs/dbraw/zinc/26/81/26/398268126.db2.gz PWLZRZOJKGEXSA-VIFPVBQESA-N 2 0 211.309 0.111 20 0 BCADRP [NH3+][C@H](CNC(=O)C1([NH3+])CCCC1)C1CC1 ZINC000381643563 398268161 /nfs/dbraw/zinc/26/81/61/398268161.db2.gz PWLZRZOJKGEXSA-SECBINFHSA-N 2 0 211.309 0.111 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000381779069 398271584 /nfs/dbraw/zinc/27/15/84/398271584.db2.gz XPBMGIDSACBORY-AEJSXWLSSA-N 2 0 213.325 0.086 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCC(C)(C)[NH3+])C[C@@H]21 ZINC000335285909 136234220 /nfs/dbraw/zinc/23/42/20/136234220.db2.gz UKNGULVAZBPQEP-ZJUUUORDSA-N 2 0 240.351 0.069 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC(C)(C)CCC[NH3+] ZINC000378864727 346849036 /nfs/dbraw/zinc/84/90/36/346849036.db2.gz XZVXOQXBZKGSHQ-MRVPVSSYSA-N 2 0 201.314 0.357 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000335388721 136235005 /nfs/dbraw/zinc/23/50/05/136235005.db2.gz KJZGAAWFPDHKSM-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC000036793948 538961114 /nfs/dbraw/zinc/96/11/14/538961114.db2.gz YRXCSBXMYKCLPC-WDEREUQCSA-N 2 0 241.379 0.783 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH3+])C1 ZINC000040503540 344001124 /nfs/dbraw/zinc/00/11/24/344001124.db2.gz AYRGNSTVFUUNST-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418485817 192040829 /nfs/dbraw/zinc/04/08/29/192040829.db2.gz IEIIFBYAXKRTIF-JTQLQIEISA-N 2 0 242.367 0.363 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCCC[NH3+] ZINC000387483660 342672088 /nfs/dbraw/zinc/67/20/88/342672088.db2.gz WTIVZDMSQCUXQQ-JTQLQIEISA-N 2 0 229.368 0.866 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCCCC[NH+](CC)CC ZINC000083357037 398278439 /nfs/dbraw/zinc/27/84/39/398278439.db2.gz DORBMQXVGYJRIN-LLVKDONJSA-N 2 0 229.368 0.962 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000131905804 342698883 /nfs/dbraw/zinc/69/88/83/342698883.db2.gz HMVGDKSVGVVNDK-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000131907559 342702504 /nfs/dbraw/zinc/70/25/04/342702504.db2.gz CCTXQOGNVHMBFH-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[N@H+](C)C1CC1 ZINC000165436327 361839988 /nfs/dbraw/zinc/83/99/88/361839988.db2.gz KEDFNDNBRSLJEN-DTWKUNHWSA-N 2 0 213.325 0.180 20 0 BCADRP CC[NH2+]CCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000381842925 398277009 /nfs/dbraw/zinc/27/70/09/398277009.db2.gz QYCCLWTZDFOABM-JTQLQIEISA-N 2 0 213.325 0.244 20 0 BCADRP C[C@@H]([NH2+]CCCO)C1CC[NH+](C)CC1 ZINC000037221470 538962068 /nfs/dbraw/zinc/96/20/68/538962068.db2.gz YZGOJYQRWKHWRL-SNVBAGLBSA-N 2 0 200.326 0.689 20 0 BCADRP COCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000037208671 538962084 /nfs/dbraw/zinc/96/20/84/538962084.db2.gz WHRMXRAMOGMFMJ-SNVBAGLBSA-N 2 0 200.326 0.953 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418493909 192042469 /nfs/dbraw/zinc/04/24/69/192042469.db2.gz ZGBYXKOKYVCPSR-MNOVXSKESA-N 2 0 242.367 0.555 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH3+] ZINC000167324893 361863425 /nfs/dbraw/zinc/86/34/25/361863425.db2.gz BCJDSSFXBIFODY-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000583921131 342723062 /nfs/dbraw/zinc/72/30/62/342723062.db2.gz SYQJHIIHHNVNRI-BJDJZHNGSA-N 2 0 239.363 0.618 20 0 BCADRP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000583934279 342728378 /nfs/dbraw/zinc/72/83/78/342728378.db2.gz YGECYMIXZWNGCU-WDEREUQCSA-N 2 0 225.336 0.387 20 0 BCADRP C[NH2+]C1(CNC(=O)C2([NH+](C)C)CC2)CCC1 ZINC000630002900 361890716 /nfs/dbraw/zinc/89/07/16/361890716.db2.gz NDQICHVAYOCBCF-UHFFFAOYSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]CCC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000309629120 342760283 /nfs/dbraw/zinc/76/02/83/342760283.db2.gz JXOMZTAZDFIGCW-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418453742 192043035 /nfs/dbraw/zinc/04/30/35/192043035.db2.gz YOPUDXXHNRHNIT-WDEREUQCSA-N 2 0 242.367 0.396 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000309644432 342775303 /nfs/dbraw/zinc/77/53/03/342775303.db2.gz PUDXMFBSAYTWTL-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCC1([NH3+])CCC1 ZINC000418452882 192043219 /nfs/dbraw/zinc/04/32/19/192043219.db2.gz XRMVMCNXMUXNMY-JTQLQIEISA-N 2 0 242.367 0.540 20 0 BCADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000037826023 342785649 /nfs/dbraw/zinc/78/56/49/342785649.db2.gz WNMUBDYMJYDTSO-LLVKDONJSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418500945 192044070 /nfs/dbraw/zinc/04/40/70/192044070.db2.gz PXZTWFFTJJVJCT-DCAQKATOSA-N 2 0 240.351 0.036 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000418502745 192044187 /nfs/dbraw/zinc/04/41/87/192044187.db2.gz VUUFSOCMILMYTH-DCAQKATOSA-N 2 0 240.351 0.308 20 0 BCADRP [NH3+]CCCCNC(=O)NCC[N@H+]1CC=CCC1 ZINC000418506396 192044836 /nfs/dbraw/zinc/04/48/36/192044836.db2.gz GQECXDOXRJBOLH-UHFFFAOYSA-N 2 0 240.351 0.286 20 0 BCADRP C[C@H]([NH2+]CCC(N)=O)C1CC[NH+](C)CC1 ZINC000036746767 398287596 /nfs/dbraw/zinc/28/75/96/398287596.db2.gz WWOMRPRJWKJQAL-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC2CC[NH2+]CC2)C1 ZINC000335464110 398288608 /nfs/dbraw/zinc/28/86/08/398288608.db2.gz HSZHRBRNAHHVIQ-KOLCDFICSA-N 2 0 225.336 0.243 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[NH+]2CCC1CC2 ZINC000335464332 398288626 /nfs/dbraw/zinc/28/86/26/398288626.db2.gz PQKLULLWKZDSDP-JSGCOSHPSA-N 2 0 249.358 0.293 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCC([NH3+])CC2)C1 ZINC000335464141 398288919 /nfs/dbraw/zinc/28/89/19/398288919.db2.gz IUHOFHBLGIJFMH-GXSJLCMTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@]1(CN2CC[NH2+]C[C@](C)(F)C2)CC[NH2+]C1 ZINC000335479508 398291256 /nfs/dbraw/zinc/29/12/56/398291256.db2.gz KPGURGMQCGFUAA-RYUDHWBXSA-N 2 0 229.343 0.619 20 0 BCADRP C[C@@]1(CN2CC[NH2+]C[C@@](C)(F)C2)CC[NH2+]C1 ZINC000335479510 398291307 /nfs/dbraw/zinc/29/13/07/398291307.db2.gz KPGURGMQCGFUAA-VXGBXAGGSA-N 2 0 229.343 0.619 20 0 BCADRP C[C@@H]1CN(C(=O)NCCCC[NH3+])C[C@H](C)[N@H+]1C ZINC000418517070 192045979 /nfs/dbraw/zinc/04/59/79/192045979.db2.gz CZSHQBAAPJKHJK-PHIMTYICSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000418516899 192046375 /nfs/dbraw/zinc/04/63/75/192046375.db2.gz UBGVYBXIVAXOBR-KXUCPTDWSA-N 2 0 228.340 0.245 20 0 BCADRP CC(C)(C)[C@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379939642 538982156 /nfs/dbraw/zinc/98/21/56/538982156.db2.gz YOSFLACDYHDPMZ-OUAUKWLOSA-N 2 0 212.337 0.545 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N(C)CC[NH+]1CCCC1 ZINC000418516065 192046026 /nfs/dbraw/zinc/04/60/26/192046026.db2.gz RJDDCWUWOYMXME-SNVBAGLBSA-N 2 0 228.340 0.071 20 0 BCADRP CC[NH+](CC)CCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000381470473 539001718 /nfs/dbraw/zinc/00/17/18/539001718.db2.gz OIBBFDTUZMCWCI-CHWSQXEVSA-N 2 0 225.380 0.870 20 0 BCADRP CN(CC[NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000417821087 398294442 /nfs/dbraw/zinc/29/44/42/398294442.db2.gz DHKMISVJSPFCIP-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)N[C@@H](C)C[NH3+] ZINC000417822695 398294468 /nfs/dbraw/zinc/29/44/68/398294468.db2.gz XFVLYUYMXHELKM-JTQLQIEISA-N 2 0 230.356 0.365 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000382568827 539009849 /nfs/dbraw/zinc/00/98/49/539009849.db2.gz PTVWODRQJQCQAU-WCQYABFASA-N 2 0 244.379 0.704 20 0 BCADRP COCC[C@@H](CO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000382678402 539010645 /nfs/dbraw/zinc/01/06/45/539010645.db2.gz CSCBSWUCJLTOFD-YPMHNXCESA-N 2 0 244.379 0.704 20 0 BCADRP [NH3+][C@H]1C[C@H](NC2C[NH2+]C2)c2ccccc21 ZINC000335626293 136240830 /nfs/dbraw/zinc/24/08/30/136240830.db2.gz ZXNBCNYGUGQHKZ-RYUDHWBXSA-N 2 0 203.289 0.693 20 0 BCADRP CC1(C)CN(C(=O)CC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000335627936 136240960 /nfs/dbraw/zinc/24/09/60/136240960.db2.gz WBUBYVZIKOHUHJ-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)C[NH3+] ZINC000418518460 192046737 /nfs/dbraw/zinc/04/67/37/192046737.db2.gz XZDRLJHKIZSUCY-LLVKDONJSA-N 2 0 244.383 0.707 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)CC[NH3+] ZINC000418523378 192047940 /nfs/dbraw/zinc/04/79/40/192047940.db2.gz KHXMNLWZYVUZTQ-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000087646617 259325297 /nfs/dbraw/zinc/32/52/97/259325297.db2.gz LALQJOHYSQZCDC-NWDGAFQWSA-N 2 0 222.336 0.861 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)NC(C)(C)C[NH+](C)C ZINC000418526487 192047567 /nfs/dbraw/zinc/04/75/67/192047567.db2.gz NDUVCYWWXHMYHE-SECBINFHSA-N 2 0 230.356 0.363 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000418527098 192047637 /nfs/dbraw/zinc/04/76/37/192047637.db2.gz NPBGJOQCVFKQFX-BBBLOLIVSA-N 2 0 228.340 0.116 20 0 BCADRP C[NH+](C)CCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418538949 192049336 /nfs/dbraw/zinc/04/93/36/192049336.db2.gz LKGFYRLWWMASTG-GFCCVEGCSA-N 2 0 242.367 0.237 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC1([NH3+])CCC1 ZINC000418529987 192048126 /nfs/dbraw/zinc/04/81/26/192048126.db2.gz VBZHRJMXKCNPLQ-NXEZZACHSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000418536020 192048786 /nfs/dbraw/zinc/04/87/86/192048786.db2.gz BKVVZEJLQDTXQC-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418534647 192049055 /nfs/dbraw/zinc/04/90/55/192049055.db2.gz XWHJBZMQLLNFGW-GXSJLCMTSA-N 2 0 242.367 0.540 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000167193489 136244229 /nfs/dbraw/zinc/24/42/29/136244229.db2.gz UDKFKCSUWBDQCZ-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000418550945 192049430 /nfs/dbraw/zinc/04/94/30/192049430.db2.gz ARVRMNNLUGNMAA-HBNTYKKESA-N 2 0 240.351 0.117 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000309779949 342896638 /nfs/dbraw/zinc/89/66/38/342896638.db2.gz MQUFNMVVNRCCEP-GUBZILKMSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@H](CNC(=O)C[NH2+]CC1CC1)[N@H+](C)C1CC1 ZINC000167339826 136245436 /nfs/dbraw/zinc/24/54/36/136245436.db2.gz ALRLVBSBMRAOPZ-SNVBAGLBSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000167341329 136245822 /nfs/dbraw/zinc/24/58/22/136245822.db2.gz NGCNSHGCDDZUGY-QWRGUYRKSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418553383 192050346 /nfs/dbraw/zinc/05/03/46/192050346.db2.gz CNPVGCMJBDDSSU-RCWTZXSCSA-N 2 0 240.351 0.116 20 0 BCADRP CN(CC[NH+](C)C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418554505 192050394 /nfs/dbraw/zinc/05/03/94/192050394.db2.gz VIIBPALEEFYSCU-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP CC(C)(C[NH3+])NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418554517 192050538 /nfs/dbraw/zinc/05/05/38/192050538.db2.gz VPHKZWYCTHURAK-GFCCVEGCSA-N 2 0 242.367 0.413 20 0 BCADRP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000418565775 192051788 /nfs/dbraw/zinc/05/17/88/192051788.db2.gz LYEKRCWUOKFDJU-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H]3CCN(C4CC4)C3=O)C[C@@H]12 ZINC000351474770 136246268 /nfs/dbraw/zinc/24/62/68/136246268.db2.gz GRZDOUNXLITWFK-JHEVNIALSA-N 2 0 249.358 0.419 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](C)C[NH3+])C1 ZINC000418565503 192050830 /nfs/dbraw/zinc/05/08/30/192050830.db2.gz LMFJNJJPSXYXGV-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000394058189 259328305 /nfs/dbraw/zinc/32/83/05/259328305.db2.gz VLDJYCVHYJGMTE-GRYCIOLGSA-N 2 0 214.353 0.968 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418573425 192052193 /nfs/dbraw/zinc/05/21/93/192052193.db2.gz LICIZWCMXRVYIK-HBNTYKKESA-N 2 0 242.367 0.411 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H](C)C[NH3+] ZINC000418571334 192052359 /nfs/dbraw/zinc/05/23/59/192052359.db2.gz RQHWVVAIJHCLTI-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)[NH2+]C ZINC000308979011 529417089 /nfs/dbraw/zinc/41/70/89/529417089.db2.gz HLHFHEWQAKHUHE-HLTSFMKQSA-N 2 0 201.314 0.084 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H](C)C[NH3+] ZINC000418573075 192052515 /nfs/dbraw/zinc/05/25/15/192052515.db2.gz UBGVYBXIVAXOBR-GUBZILKMSA-N 2 0 228.340 0.245 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000418579234 192053143 /nfs/dbraw/zinc/05/31/43/192053143.db2.gz JVQIDQZFSXVKSL-GMTAPVOTSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418578283 192052697 /nfs/dbraw/zinc/05/26/97/192052697.db2.gz PXZTWFFTJJVJCT-AXFHLTTASA-N 2 0 240.351 0.036 20 0 BCADRP C[C@H]1CN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000418579233 192052926 /nfs/dbraw/zinc/05/29/26/192052926.db2.gz JVQIDQZFSXVKSL-GARJFASQSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418580096 192053216 /nfs/dbraw/zinc/05/32/16/192053216.db2.gz SHXLCCBGQRPWNT-KXUCPTDWSA-N 2 0 228.340 0.021 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N(C)CC[NH+](C)C ZINC000418589876 192054399 /nfs/dbraw/zinc/05/43/99/192054399.db2.gz JPMCNFKHCQYVDZ-SNVBAGLBSA-N 2 0 230.356 0.187 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418584194 192053798 /nfs/dbraw/zinc/05/37/98/192053798.db2.gz BYCKPGXSMIRVCL-ATZCPNFKSA-N 2 0 242.367 0.539 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000418604580 192054988 /nfs/dbraw/zinc/05/49/88/192054988.db2.gz RJBGVHNEDROGCO-SNVBAGLBSA-N 2 0 242.367 0.378 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NC(C)(C)C[NH3+] ZINC000418605808 192054458 /nfs/dbraw/zinc/05/44/58/192054458.db2.gz URHBXSOSHDCNIZ-MRVPVSSYSA-N 2 0 216.329 0.021 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000418604305 192054861 /nfs/dbraw/zinc/05/48/61/192054861.db2.gz RACVELOKXLJQMC-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP Nc1cccc(C[NH+]2CCC(O)(C[NH3+])CC2)c1 ZINC000564988560 398337025 /nfs/dbraw/zinc/33/70/25/398337025.db2.gz CADUMOMMAVTVBE-UHFFFAOYSA-N 2 0 235.331 0.554 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000580310204 346889600 /nfs/dbraw/zinc/88/96/00/346889600.db2.gz AOWCZASLIIMBFP-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000574808593 398338703 /nfs/dbraw/zinc/33/87/03/398338703.db2.gz IZVRFQRRUIODTJ-GRYCIOLGSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000574808597 398338751 /nfs/dbraw/zinc/33/87/51/398338751.db2.gz IZVRFQRRUIODTJ-IJLUTSLNSA-N 2 0 239.363 0.429 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NCC[NH+](C)C ZINC000037480396 342937155 /nfs/dbraw/zinc/93/71/55/342937155.db2.gz MTPLEDGJUUGYNT-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000418595110 192055525 /nfs/dbraw/zinc/05/55/25/192055525.db2.gz WTYIQUQEBBYHMR-AXFHLTTASA-N 2 0 240.351 0.389 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000418595113 192055533 /nfs/dbraw/zinc/05/55/33/192055533.db2.gz WTYIQUQEBBYHMR-MXWKQRLJSA-N 2 0 240.351 0.389 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@@H](C)[NH+](C)C ZINC000038089354 398335960 /nfs/dbraw/zinc/33/59/60/398335960.db2.gz RLRUMBUHXDTYDQ-SNVBAGLBSA-N 2 0 215.341 0.441 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NC[C@@H](C)[NH2+]CC ZINC000418607519 192055724 /nfs/dbraw/zinc/05/57/24/192055724.db2.gz XHIQRWKETOBLEQ-NXEZZACHSA-N 2 0 230.356 0.282 20 0 BCADRP CC(=O)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000019513749 187206175 /nfs/dbraw/zinc/20/61/75/187206175.db2.gz HEWBWZZWPSCNQA-UHFFFAOYSA-N 2 0 225.336 0.150 20 0 BCADRP CON1CCC([N@H+](C)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000566914862 323025525 /nfs/dbraw/zinc/02/55/25/323025525.db2.gz BMSSNXFBXVZHFL-ZDUSSCGKSA-N 2 0 241.379 0.944 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000261988984 534928589 /nfs/dbraw/zinc/92/85/89/534928589.db2.gz OTJAAURAEDBSJY-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000353186205 187208285 /nfs/dbraw/zinc/20/82/85/187208285.db2.gz QJVWSSFZILVPQR-USWWRNFRSA-N 2 0 239.363 0.569 20 0 BCADRP CC[NH+](CC)CC(=O)NCCC[NH2+]C(C)C ZINC000151742134 323025750 /nfs/dbraw/zinc/02/57/50/323025750.db2.gz VVHNTHYCVMTLIS-UHFFFAOYSA-N 2 0 229.368 0.833 20 0 BCADRP Fc1ccc(C[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000040537888 342968816 /nfs/dbraw/zinc/96/88/16/342968816.db2.gz ZSBAQSDEVUNHEK-UHFFFAOYSA-N 2 0 237.322 0.821 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)CC[C@H](C)[NH3+] ZINC000380030653 342970085 /nfs/dbraw/zinc/97/00/85/342970085.db2.gz QDYWVUPGOVJXPB-DTWKUNHWSA-N 2 0 201.314 0.228 20 0 BCADRP CC(C)[C@@H]1CN(C(=O)N[C@@H](C)C[NH3+])CC[N@@H+]1C ZINC000418619916 192057211 /nfs/dbraw/zinc/05/72/11/192057211.db2.gz PSTCKMDHBNJSGR-QWRGUYRKSA-N 2 0 242.367 0.315 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000136807637 346909034 /nfs/dbraw/zinc/90/90/34/346909034.db2.gz YGLGGYISMRPDNS-MNOVXSKESA-N 2 0 237.347 0.196 20 0 BCADRP CC(C)[C@H]1CN(C(=O)N[C@@H](C)C[NH3+])CC[N@@H+]1C ZINC000418620182 192057129 /nfs/dbraw/zinc/05/71/29/192057129.db2.gz PSTCKMDHBNJSGR-WDEREUQCSA-N 2 0 242.367 0.315 20 0 BCADRP CC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037859655 342987245 /nfs/dbraw/zinc/98/72/45/342987245.db2.gz VVOSCRMNBMBCIG-MNOVXSKESA-N 2 0 200.326 0.831 20 0 BCADRP COC(=O)CN(CCc1cncn1C)C1CC1 ZINC000602780472 349746312 /nfs/dbraw/zinc/74/63/12/349746312.db2.gz QFXKEOWRLPPMCH-UHFFFAOYSA-N 2 0 237.303 0.600 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC[NH+](C)C ZINC000360134436 187216818 /nfs/dbraw/zinc/21/68/18/187216818.db2.gz GIUUBWWSJPCMIN-NSHDSACASA-N 2 0 244.383 0.576 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044808426 343008172 /nfs/dbraw/zinc/00/81/72/343008172.db2.gz NRELEFTYOFIPFP-VHSXEESVSA-N 2 0 213.325 0.039 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000342593821 534931906 /nfs/dbraw/zinc/93/19/06/534931906.db2.gz BCRUHLYDPLKTJB-UHFFFAOYSA-N 2 0 227.352 0.749 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000308976548 259340870 /nfs/dbraw/zinc/34/08/70/259340870.db2.gz GTUYSUUHKNRYKI-CIUDSAMLSA-N 2 0 201.314 0.213 20 0 BCADRP CC(C)[NH+](CCNC(=O)[C@@H]1C[C@@H]1[NH3+])C(C)C ZINC000050457087 343022032 /nfs/dbraw/zinc/02/20/32/343022032.db2.gz PIFCQTMOXURJHE-MNOVXSKESA-N 2 0 227.352 0.569 20 0 BCADRP CC1CC[NH+](CCCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000050461358 343022271 /nfs/dbraw/zinc/02/22/71/343022271.db2.gz SWRZDODVCVFUGJ-NEPJUHHUSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000373626267 187224021 /nfs/dbraw/zinc/22/40/21/187224021.db2.gz YPIGDOWKKOAILB-ZWNOBZJWSA-N 2 0 239.363 0.844 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000038089359 343059310 /nfs/dbraw/zinc/05/93/10/343059310.db2.gz JMVMNPFQGAIKFE-VHSXEESVSA-N 2 0 215.341 0.570 20 0 BCADRP Cn1ccc(CN2CC[C@@](C)(C[NH3+])C2)n1 ZINC000236095097 343074043 /nfs/dbraw/zinc/07/40/43/343074043.db2.gz NNHWMMQMUMMWNS-NSHDSACASA-N 2 0 208.309 0.591 20 0 BCADRP COC1(C[NH2+]C[C@](C)(O)C[NH+](C)C)CCCC1 ZINC000319339265 187229844 /nfs/dbraw/zinc/22/98/44/187229844.db2.gz QPBSHGXXEJKKOT-LBPRGKRZSA-N 2 0 244.379 0.848 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[NH+](C)C ZINC000011959293 343070531 /nfs/dbraw/zinc/07/05/31/343070531.db2.gz INSMHMSENKQJJL-BDAKNGLRSA-N 2 0 201.314 0.038 20 0 BCADRP C[C@@H]1C[C@@H](N(C)C(=O)C[NH+](C)C)CC[N@@H+]1C ZINC000175100613 362026179 /nfs/dbraw/zinc/02/61/79/362026179.db2.gz AAODAFGBWNIPJZ-MNOVXSKESA-N 2 0 227.352 0.489 20 0 BCADRP CC(C)([NH3+])C[N@@H+]1CCC[C@H]1CCCO ZINC000336655860 187231266 /nfs/dbraw/zinc/23/12/66/187231266.db2.gz ACGBEFVLMULKDP-JTQLQIEISA-N 2 0 200.326 0.961 20 0 BCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH2+]1 ZINC000394283655 259349041 /nfs/dbraw/zinc/34/90/41/259349041.db2.gz INZDDSNPOSBNJH-GRYCIOLGSA-N 2 0 237.347 0.434 20 0 BCADRP Cc1nccn1-c1ccc(NC(=O)C[NH3+])cn1 ZINC000037005265 187230233 /nfs/dbraw/zinc/23/02/33/187230233.db2.gz FBDRQWNTBPFKKN-UHFFFAOYSA-N 2 0 231.259 0.473 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@H]([NH3+])C(C)C ZINC000380112323 343102104 /nfs/dbraw/zinc/10/21/04/343102104.db2.gz ONMOUNNJPFMMTR-VIFPVBQESA-N 2 0 201.314 0.086 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000236648255 343105627 /nfs/dbraw/zinc/10/56/27/343105627.db2.gz CXPGLCHGYVRDFQ-WDEREUQCSA-N 2 0 227.352 0.665 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000237042789 343121794 /nfs/dbraw/zinc/12/17/94/343121794.db2.gz XSYMVEFIXRWUAJ-VXGBXAGGSA-N 2 0 239.363 0.811 20 0 BCADRP CCCN(C(=O)CC[NH3+])C1CC[NH2+]CC1 ZINC000236780607 343111455 /nfs/dbraw/zinc/11/14/55/343111455.db2.gz YGPWRLDQBYNFMC-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP CC(C)OC[C@@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557236 343111531 /nfs/dbraw/zinc/11/15/31/343111531.db2.gz DNIGWLKMECXLKM-RYUDHWBXSA-N 2 0 232.368 0.702 20 0 BCADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)Cn1cccn1 ZINC000049556990 343111678 /nfs/dbraw/zinc/11/16/78/343111678.db2.gz IORUFOHZFBJFKW-NEPJUHHUSA-N 2 0 240.351 0.174 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)CC[NH2+]C1CC1 ZINC000049559755 343111687 /nfs/dbraw/zinc/11/16/87/343111687.db2.gz DJAZUWGMHWBRFO-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)OC[C@H](O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049557237 343111860 /nfs/dbraw/zinc/11/18/60/343111860.db2.gz DNIGWLKMECXLKM-VXGBXAGGSA-N 2 0 232.368 0.702 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH3+])C1)[C@@H](C)[NH3+] ZINC000576872511 365709878 /nfs/dbraw/zinc/70/98/78/365709878.db2.gz REVSTOMLAAZMNG-UTLUCORTSA-N 2 0 213.325 0.165 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH2+]C1CC1 ZINC000236825690 343112693 /nfs/dbraw/zinc/11/26/93/343112693.db2.gz SQBREOLLYZFMQR-LBPRGKRZSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C1([NH3+])CC1 ZINC000236814435 343113032 /nfs/dbraw/zinc/11/30/32/343113032.db2.gz IOBFSRWWNWIVCY-SECBINFHSA-N 2 0 213.325 0.310 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000049575504 343113193 /nfs/dbraw/zinc/11/31/93/343113193.db2.gz BNUQULQLIXKXCG-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH2+]C ZINC000236952070 343116063 /nfs/dbraw/zinc/11/60/63/343116063.db2.gz IIAQBNZFNSOVCI-DTWKUNHWSA-N 2 0 201.314 0.086 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000092956417 343150281 /nfs/dbraw/zinc/15/02/81/343150281.db2.gz DRXAURSSEIQYSS-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@]1(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CCC[NH2+]1 ZINC000576876145 365711720 /nfs/dbraw/zinc/71/17/20/365711720.db2.gz LUAOTGLXANSKRG-JFGNBEQYSA-N 2 0 227.352 0.761 20 0 BCADRP O=C(NCC1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000120454282 343123996 /nfs/dbraw/zinc/12/39/96/343123996.db2.gz ZPLKTIPALRPIHG-LLVKDONJSA-N 2 0 225.336 0.244 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000370778927 343125752 /nfs/dbraw/zinc/12/57/52/343125752.db2.gz IMKVQKUGBBHIJA-ZYHUDNBSSA-N 2 0 243.326 0.289 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000237290348 343132321 /nfs/dbraw/zinc/13/23/21/343132321.db2.gz SPUMCBQZCAJMGV-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]CCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237379258 343135613 /nfs/dbraw/zinc/13/56/13/343135613.db2.gz RSIGSRDKICMNMW-FGWVZKOKSA-N 2 0 225.336 0.243 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261977520 534933492 /nfs/dbraw/zinc/93/34/92/534933492.db2.gz VMNTYCXRPGTMMG-SNVBAGLBSA-N 2 0 227.352 0.605 20 0 BCADRP C[NH2+]CCCN(C)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000131199748 343183024 /nfs/dbraw/zinc/18/30/24/343183024.db2.gz QGXXVDUOQITDRH-UHFFFAOYSA-N 2 0 247.342 0.971 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000576943720 365727918 /nfs/dbraw/zinc/72/79/18/365727918.db2.gz TUGMZOLZSAYWAK-LBPRGKRZSA-N 3 0 227.352 0.037 20 0 BCADRP C[NH2+]CCN(C)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000576942039 365728084 /nfs/dbraw/zinc/72/80/84/365728084.db2.gz SANRUEYVSMGWHT-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@@H](NC(=O)N1CCC[C@H]([NH+](C)C)C1)[C@H](C)[NH3+] ZINC000418693870 192061151 /nfs/dbraw/zinc/06/11/51/192061151.db2.gz HLSUUKZIHPZAMC-AXFHLTTASA-N 2 0 242.367 0.458 20 0 BCADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1([NH3+])CCC1 ZINC000147581236 136273480 /nfs/dbraw/zinc/27/34/80/136273480.db2.gz ACKGJSOVDBKGPD-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)NCC[NH3+] ZINC000123216577 343162014 /nfs/dbraw/zinc/16/20/14/343162014.db2.gz ZULKRYQPTHSSIM-UHFFFAOYSA-N 2 0 221.304 0.137 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH3+])CN1C1CC1 ZINC000229934473 136273829 /nfs/dbraw/zinc/27/38/29/136273829.db2.gz BUFJRTIURZXREK-GHMZBOCLSA-N 2 0 211.353 0.940 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)N1CCCCC1 ZINC000124599625 343163543 /nfs/dbraw/zinc/16/35/43/343163543.db2.gz VAAPDYJQGXXKMH-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000237460732 136272289 /nfs/dbraw/zinc/27/22/89/136272289.db2.gz IXEVKILGKCEVSK-VHSXEESVSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@H](CC(=O)NCCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000127258696 343172681 /nfs/dbraw/zinc/17/26/81/343172681.db2.gz MOFXZFZKCSRXGA-VXGBXAGGSA-N 2 0 241.379 0.867 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)CC[N@@H+]1C ZINC000157890697 343200402 /nfs/dbraw/zinc/20/04/02/343200402.db2.gz ZZSZCJGJSKXNMZ-WZRBSPASSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C[NH2+]C2CC2)CC[N@@H+]1C ZINC000157885730 343200448 /nfs/dbraw/zinc/20/04/48/343200448.db2.gz JVQOTCXKYGWXKD-MWLCHTKSSA-N 2 0 225.336 0.337 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000161081436 343203867 /nfs/dbraw/zinc/20/38/67/343203867.db2.gz IEZDGSFOMDCTSF-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCCCC[NH3+])C1 ZINC000167421824 343209081 /nfs/dbraw/zinc/20/90/81/343209081.db2.gz NDFMWJWMXJNNJK-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP CCCN(C(=O)C[NH+](C)C)C1CC[NH2+]CC1 ZINC000167894952 343209615 /nfs/dbraw/zinc/20/96/15/343209615.db2.gz PJLWGDAAVAHMHU-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CC(C)(C)NC(=O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000168503141 343210579 /nfs/dbraw/zinc/21/05/79/343210579.db2.gz AOYURTNEOLSPBQ-NXEZZACHSA-N 2 0 227.352 0.761 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000237916783 343219394 /nfs/dbraw/zinc/21/93/94/343219394.db2.gz BEYCFQUQDKUVCN-LBPRGKRZSA-N 2 0 247.342 0.875 20 0 BCADRP CC(C)(C)[NH+]1CCC([NH2+]CCC(N)=O)CC1 ZINC000134968915 343192248 /nfs/dbraw/zinc/19/22/48/343192248.db2.gz OJXWEPSQOMNIRQ-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H](C[NH3+])C(C)C ZINC000087471807 136281486 /nfs/dbraw/zinc/28/14/86/136281486.db2.gz VEAKJKLATDPUNL-SNVBAGLBSA-N 2 0 215.341 0.285 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000088091220 136284464 /nfs/dbraw/zinc/28/44/64/136284464.db2.gz ZCHJCGYUQQDBTN-VWYCJHECSA-N 2 0 225.336 0.276 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000082777044 136277224 /nfs/dbraw/zinc/27/72/24/136277224.db2.gz HWSJBFKWBYQSAF-SNVBAGLBSA-N 2 0 225.336 0.420 20 0 BCADRP Cn1nccc1CC[NH+]1CCC(C)([NH3+])CC1 ZINC000634688101 343247421 /nfs/dbraw/zinc/24/74/21/343247421.db2.gz IENOBLRPHIPFGP-UHFFFAOYSA-N 2 0 222.336 0.776 20 0 BCADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688112 343247602 /nfs/dbraw/zinc/24/76/02/343247602.db2.gz IMENBQSFIUQHSQ-TUAOUCFPSA-N 2 0 238.331 0.086 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000019411647 343248331 /nfs/dbraw/zinc/24/83/31/343248331.db2.gz GLWDCXQXFHASBE-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418695542 192061759 /nfs/dbraw/zinc/06/17/59/192061759.db2.gz JMDNDCFUPMNIEP-GARJFASQSA-N 2 0 244.383 0.737 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000340083641 136286068 /nfs/dbraw/zinc/28/60/68/136286068.db2.gz VXDOFHJEADZHBY-DCAQKATOSA-N 2 0 227.352 0.333 20 0 BCADRP C[NH2+]CCN(C)C(=O)CC1CC[NH2+]CC1 ZINC000069803168 343291646 /nfs/dbraw/zinc/29/16/46/343291646.db2.gz ZYTPZHZRABWLAJ-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP CC1(C)CN(C(=O)[C@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000335627038 136299660 /nfs/dbraw/zinc/29/96/60/136299660.db2.gz PHDHPCHVKJUGEA-GFCCVEGCSA-N 2 0 247.342 0.897 20 0 BCADRP C[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000569843733 323042622 /nfs/dbraw/zinc/04/26/22/323042622.db2.gz OUOIIFYLYZPTOF-UHFFFAOYSA-N 2 0 235.331 0.697 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[NH2+]1 ZINC000335630313 136300468 /nfs/dbraw/zinc/30/04/68/136300468.db2.gz TVZFSCYYDZWOMB-VHSXEESVSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335639387 136303463 /nfs/dbraw/zinc/30/34/63/136303463.db2.gz UGPMGKAXPUJJEO-PWSUYJOCSA-N 2 0 211.353 0.574 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)CC1([NH3+])CC1 ZINC000398132404 488212098 /nfs/dbraw/zinc/21/20/98/488212098.db2.gz WHICRPMMTAGSTH-JTQLQIEISA-N 2 0 225.336 0.420 20 0 BCADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000335652871 136305529 /nfs/dbraw/zinc/30/55/29/136305529.db2.gz CRNBNNALPCCGCM-BDAKNGLRSA-N 2 0 247.289 0.099 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC000166221172 136310524 /nfs/dbraw/zinc/31/05/24/136310524.db2.gz BZAVZJXTDFQYTK-QWRGUYRKSA-N 2 0 208.309 0.552 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)C1([NH3+])CC1 ZINC000335663219 136315932 /nfs/dbraw/zinc/31/59/32/136315932.db2.gz UHZYXHZCECUPTR-BQKDNTBBSA-N 2 0 223.320 0.110 20 0 BCADRP CN(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C1(C[NH3+])CCC1 ZINC000335664338 136316135 /nfs/dbraw/zinc/31/61/35/136316135.db2.gz ZYECZFZGGSMVDS-CMPLNLGQSA-N 2 0 237.347 0.326 20 0 BCADRP CC(C)CNC(=O)CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166236219 136316463 /nfs/dbraw/zinc/31/64/63/136316463.db2.gz FQPCSAFEWYSKEE-MNOVXSKESA-N 2 0 227.352 0.428 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)C ZINC000349080347 136322507 /nfs/dbraw/zinc/32/25/07/136322507.db2.gz KRBZOHQCUVJXLK-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP COC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876633 349807151 /nfs/dbraw/zinc/80/71/51/349807151.db2.gz HPUVGUGUJXHHRG-NSHDSACASA-N 2 0 240.347 0.966 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])CC)CC1 ZINC000131983551 343392513 /nfs/dbraw/zinc/39/25/13/343392513.db2.gz AKOVSFKPZXAFPP-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)CC[NH2+]C(C)C ZINC000131985325 343392713 /nfs/dbraw/zinc/39/27/13/343392713.db2.gz CWTFIEVDFFKIIU-LLVKDONJSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H](NC(=O)C1([NH3+])CCCC1)[C@H]1CCC[NH2+]C1 ZINC000335694157 136326040 /nfs/dbraw/zinc/32/60/40/136326040.db2.gz PZXAKYSWCKPVPF-MNOVXSKESA-N 2 0 239.363 0.762 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158411600 343407293 /nfs/dbraw/zinc/40/72/93/343407293.db2.gz XGCGMFLQBMKCAB-LPEHRKFASA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000040809135 343409275 /nfs/dbraw/zinc/40/92/75/343409275.db2.gz OMRQEMQQXCMUSB-PWSUYJOCSA-N 2 0 235.331 0.753 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)CC[NH3+])c1cccs1 ZINC000040827113 343410059 /nfs/dbraw/zinc/41/00/59/343410059.db2.gz FHVHAGOSMBSMGQ-SECBINFHSA-N 2 0 241.360 0.816 20 0 BCADRP [NH3+]CC1(C(=O)NC2CC[NH2+]CC2)CCCC1 ZINC000335724381 136346731 /nfs/dbraw/zinc/34/67/31/136346731.db2.gz JUZYAYWEPDPIFB-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP O=C([C@H]1CCC[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335732686 136349608 /nfs/dbraw/zinc/34/96/08/136349608.db2.gz MQUYIFNRPKMUSV-DGCLKSJQSA-N 2 0 237.347 0.341 20 0 BCADRP C[C@@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[C@H](C)[NH3+] ZINC000418703399 192062895 /nfs/dbraw/zinc/06/28/95/192062895.db2.gz QNLFVXZBWFXMAU-XFWSIPNHSA-N 2 0 228.340 0.114 20 0 BCADRP C[C@@H]1CC[N@H+](C)CCN1Cc1cncn1C ZINC000335706086 136335818 /nfs/dbraw/zinc/33/58/18/136335818.db2.gz IOZCEOHPXPIECY-LLVKDONJSA-N 2 0 222.336 0.946 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418705965 192062970 /nfs/dbraw/zinc/06/29/70/192062970.db2.gz SDJTUKUNMKLNET-GHMZBOCLSA-N 2 0 244.383 0.705 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418705000 192062998 /nfs/dbraw/zinc/06/29/98/192062998.db2.gz DJPUOEVLNQUYSF-QWRGUYRKSA-N 2 0 242.367 0.555 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H](C)[NH3+] ZINC000166638937 136362280 /nfs/dbraw/zinc/36/22/80/136362280.db2.gz IMSATVQOGWFACK-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000261542411 136374364 /nfs/dbraw/zinc/37/43/64/136374364.db2.gz CBGBHYJFDANKJN-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH3+])C1 ZINC000262671774 136374645 /nfs/dbraw/zinc/37/46/45/136374645.db2.gz OVEVWMPZLNNPSB-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP [NH3+]CCN1CC[NH2+]C[C@H]1c1ccc(F)cc1 ZINC000616635999 343528378 /nfs/dbraw/zinc/52/83/78/343528378.db2.gz PDQAEHGZLXTCND-LBPRGKRZSA-N 2 0 223.295 0.731 20 0 BCADRP CC(C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000084689084 343534901 /nfs/dbraw/zinc/53/49/01/343534901.db2.gz UQAQWEKVRMEPHN-UHFFFAOYSA-N 2 0 200.326 0.689 20 0 BCADRP CC[N@H+](CC(=O)N(C)CC1C[NH+](C)C1)C1CC1 ZINC000618192565 343583638 /nfs/dbraw/zinc/58/36/38/343583638.db2.gz RTZNUGLNBWQPKA-UHFFFAOYSA-N 2 0 239.363 0.491 20 0 BCADRP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000618193846 343603353 /nfs/dbraw/zinc/60/33/53/343603353.db2.gz GPNXUJYHSTXJHD-NSHDSACASA-N 2 0 225.336 0.101 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)NCC[C@H]1CCC[NH2+]C1 ZINC000152808638 343604372 /nfs/dbraw/zinc/60/43/72/343604372.db2.gz GTKXJRDWMDELQR-VXGBXAGGSA-N 2 0 239.363 0.634 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC[N@H+](C)C(C)C ZINC000086068755 343609346 /nfs/dbraw/zinc/60/93/46/343609346.db2.gz FAIMKOJLFRWBJI-JTQLQIEISA-N 2 0 215.341 0.298 20 0 BCADRP CN(C(=O)C1CC[NH2+]CC1)[C@H](C[NH3+])C1CC1 ZINC000580563442 365781856 /nfs/dbraw/zinc/78/18/56/365781856.db2.gz UVMSMRLWGDGIKD-LLVKDONJSA-N 2 0 225.336 0.182 20 0 BCADRP COC[C@H]([NH2+]CCC[NH+](C)C)C1CC1 ZINC000087477408 343649876 /nfs/dbraw/zinc/64/98/76/343649876.db2.gz ZNUHHYOFNLVUML-NSHDSACASA-N 2 0 200.326 0.953 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000154049392 343709446 /nfs/dbraw/zinc/70/94/46/343709446.db2.gz SEOOCRRTFZDONG-GHMZBOCLSA-N 2 0 227.352 0.713 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C[NH2+]C1CC1 ZINC000153930888 343706730 /nfs/dbraw/zinc/70/67/30/343706730.db2.gz BEDZFSNLJMMNPH-JTQLQIEISA-N 2 0 213.325 0.372 20 0 BCADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NC)CC1 ZINC000047978003 343682495 /nfs/dbraw/zinc/68/24/95/343682495.db2.gz HZGHXTFKQXNTMZ-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)CC[NH2+]C ZINC000309095698 259369119 /nfs/dbraw/zinc/36/91/19/259369119.db2.gz CRRVSAMUEUHHCB-UHFFFAOYSA-N 2 0 201.314 0.230 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)CC[NH2+]C ZINC000380184026 343689059 /nfs/dbraw/zinc/68/90/59/343689059.db2.gz GQYYYNWQUUCGPU-UHFFFAOYSA-N 2 0 201.314 0.230 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CO[C@@H](C)C1 ZINC000402120595 349849828 /nfs/dbraw/zinc/84/98/28/349849828.db2.gz GRCVNCMDITYVMF-GARJFASQSA-N 2 0 216.325 0.507 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418726502 192065054 /nfs/dbraw/zinc/06/50/54/192065054.db2.gz LPAPJYPDOZCDOO-VWYCJHECSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@H]1C[C@@H](N(C)C(=O)C[NH2+]C2CC2)CC[N@@H+]1C ZINC000154669946 343746101 /nfs/dbraw/zinc/74/61/01/343746101.db2.gz GWYJYIILNQPAMY-JQWIXIFHSA-N 2 0 239.363 0.680 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000584177651 343769519 /nfs/dbraw/zinc/76/95/19/343769519.db2.gz IAICKTWMZCUTKV-GFCCVEGCSA-N 3 0 241.379 0.032 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000584231052 343775991 /nfs/dbraw/zinc/77/59/91/343775991.db2.gz VEWNFFSTHBFAQJ-MNOVXSKESA-N 2 0 227.352 0.701 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C[NH2+]CC1CC1)C2 ZINC000621684895 343746412 /nfs/dbraw/zinc/74/64/12/343746412.db2.gz VHJMDCZZLHLDNB-AAEUAGOBSA-N 2 0 237.347 0.326 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000621703830 343756497 /nfs/dbraw/zinc/75/64/97/343756497.db2.gz RVNUGUCCNRHIPE-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP C[N@H+](CCC[NH3+])CCNC(=O)OC(C)(C)C ZINC000496922300 529886112 /nfs/dbraw/zinc/88/61/12/529886112.db2.gz RTWMYYCHPZIFKG-UHFFFAOYSA-N 2 0 231.340 0.792 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000594869859 537826246 /nfs/dbraw/zinc/82/62/46/537826246.db2.gz ARCMPHYGUZWYND-RYUDHWBXSA-N 2 0 239.363 0.396 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC000044526601 187354630 /nfs/dbraw/zinc/35/46/30/187354630.db2.gz RWRGMKSWJLFNBE-LBPRGKRZSA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000570568435 323063417 /nfs/dbraw/zinc/06/34/17/323063417.db2.gz WCPXALOGQFPSNO-VXGBXAGGSA-N 2 0 239.363 0.573 20 0 BCADRP CCn1nccc1CC[NH2+]CC1([NH3+])CCC1 ZINC000621775574 343900068 /nfs/dbraw/zinc/90/00/68/343900068.db2.gz SDNLBILGIJLALW-UHFFFAOYSA-N 2 0 222.336 0.917 20 0 BCADRP COCCN(C)C[C@@H](O)C[N@H+](C)C1CCC1 ZINC000381100273 343973682 /nfs/dbraw/zinc/97/36/82/343973682.db2.gz XPVHQVRYHBLQDB-GFCCVEGCSA-N 2 0 230.352 0.410 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000123829221 187356150 /nfs/dbraw/zinc/35/61/50/187356150.db2.gz HZIGRUMUGIONRQ-JTQLQIEISA-N 2 0 213.325 0.195 20 0 BCADRP CCN(C)C[C@H](O)C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661705111 537836831 /nfs/dbraw/zinc/83/68/31/537836831.db2.gz SVKKFSHAKHBAEA-AVGNSLFASA-N 2 0 242.363 0.267 20 0 BCADRP C[NH2+][C@H](C)c1cn(CC2CC[NH2+]CC2)nn1 ZINC000641233247 362284548 /nfs/dbraw/zinc/28/45/48/362284548.db2.gz QOLHGTJAWMSCKW-SECBINFHSA-N 2 0 223.324 0.558 20 0 BCADRP CC[C@](C)([NH3+])c1cn(CC2CC[NH2+]CC2)nn1 ZINC000641232956 362285109 /nfs/dbraw/zinc/28/51/09/362285109.db2.gz MNKNGXOSONYUOR-LBPRGKRZSA-N 2 0 237.351 0.862 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000129072857 343961830 /nfs/dbraw/zinc/96/18/30/343961830.db2.gz KOROXIAVZOAAGT-AEJSXWLSSA-N 2 0 213.325 0.452 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000393802397 343963543 /nfs/dbraw/zinc/96/35/43/343963543.db2.gz UDCSGGCNCGQFEU-BQBZGAKWSA-N 2 0 223.267 0.068 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]([NH3+])CC(F)F ZINC000393802400 343963567 /nfs/dbraw/zinc/96/35/67/343963567.db2.gz UDCSGGCNCGQFEU-RNFRBKRXSA-N 2 0 223.267 0.068 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CC1([NH3+])CC1)C2 ZINC000634741827 344163444 /nfs/dbraw/zinc/16/34/44/344163444.db2.gz QNYSQPSMRKGRAM-TXEJJXNPSA-N 2 0 237.347 0.326 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000634742521 344163695 /nfs/dbraw/zinc/16/36/95/344163695.db2.gz OADFZLBLUYNMOM-NIFPGPBJSA-N 2 0 237.347 0.182 20 0 BCADRP CC[C@@H]([NH3+])C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000130429251 344137974 /nfs/dbraw/zinc/13/79/74/344137974.db2.gz ODJCOMZRQABOHY-SECBINFHSA-N 2 0 239.323 0.121 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000130550724 344146931 /nfs/dbraw/zinc/14/69/31/344146931.db2.gz GWWCQXYTMSWICK-NWDGAFQWSA-N 2 0 239.363 0.668 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000130604603 344150523 /nfs/dbraw/zinc/15/05/23/344150523.db2.gz MFJJBKSXMMPTFK-WCABBAIRSA-N 2 0 225.336 0.465 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000129072637 344210495 /nfs/dbraw/zinc/21/04/95/344210495.db2.gz KOROXIAVZOAAGT-IVZWLZJFSA-N 2 0 213.325 0.452 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN(C)C2CC2)[C@@H](C)O1 ZINC000384894153 344216091 /nfs/dbraw/zinc/21/60/91/344216091.db2.gz LRIXFAKSUCRVMN-WFFHOREQSA-N 2 0 242.363 0.597 20 0 BCADRP C[C@@H]1C[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000130952680 344225903 /nfs/dbraw/zinc/22/59/03/344225903.db2.gz MKZKCWBJRMDKOU-WOPDTQHZSA-N 2 0 212.337 0.689 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@H](C)[NH3+] ZINC000622044459 344228041 /nfs/dbraw/zinc/22/80/41/344228041.db2.gz GMGLDLHOYGFKJM-UWVGGRQHSA-N 3 0 203.330 0.067 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]([NH3+])C(C)C)C1 ZINC000131773164 344234928 /nfs/dbraw/zinc/23/49/28/344234928.db2.gz VXJJDAYUULWWAZ-NXEZZACHSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]([NH3+])C(C)C)C1 ZINC000131772749 344235116 /nfs/dbraw/zinc/23/51/16/344235116.db2.gz VXJJDAYUULWWAZ-VHSXEESVSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000131772957 344235190 /nfs/dbraw/zinc/23/51/90/344235190.db2.gz VXJJDAYUULWWAZ-ZJUUUORDSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000236648210 187289545 /nfs/dbraw/zinc/28/95/45/187289545.db2.gz CQHPHGJFAOPGQF-JTQLQIEISA-N 2 0 213.325 0.147 20 0 BCADRP Cn1cc(C[N@H+](C)CC[C@@H]2CC[NH2+]C2)cn1 ZINC000084385202 344191451 /nfs/dbraw/zinc/19/14/51/344191451.db2.gz LQHIHFJWMOWHHR-NSHDSACASA-N 2 0 222.336 0.852 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000084420059 344191743 /nfs/dbraw/zinc/19/17/43/344191743.db2.gz NPKCJGFGKCXMSA-NSHDSACASA-N 2 0 225.336 0.291 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634749755 344193227 /nfs/dbraw/zinc/19/32/27/344193227.db2.gz DTIBIPZJHRMYKG-BETUJISGSA-N 2 0 239.363 0.429 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752454 344204027 /nfs/dbraw/zinc/20/40/27/344204027.db2.gz LZJZIXHUZJUCHB-WDEREUQCSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000580324173 347039192 /nfs/dbraw/zinc/03/91/92/347039192.db2.gz FQTUHDUKTCDTCI-SECBINFHSA-N 2 0 233.315 0.757 20 0 BCADRP C[NH+](C)CC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761557 344250847 /nfs/dbraw/zinc/25/08/47/344250847.db2.gz DOAOMJNSRQJYIT-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761921 344253724 /nfs/dbraw/zinc/25/37/24/344253724.db2.gz MBEXDTPVXYQIPR-VHSXEESVSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)CC[C@H](C)[NH3+] ZINC000381245233 344263673 /nfs/dbraw/zinc/26/36/73/344263673.db2.gz OBPDRWGIWVFPHB-VHSXEESVSA-N 2 0 215.341 0.748 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000131328086 344266669 /nfs/dbraw/zinc/26/66/69/344266669.db2.gz HHCUOXYZQRBJLB-VIFPVBQESA-N 2 0 221.304 0.939 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000573475932 344275107 /nfs/dbraw/zinc/27/51/07/344275107.db2.gz APXDVPNAHPSLLZ-JBLDHEPKSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634765131 344276185 /nfs/dbraw/zinc/27/61/85/344276185.db2.gz KNWSTQZGXWPCBN-SKDRFNHKSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634765644 344276630 /nfs/dbraw/zinc/27/66/30/344276630.db2.gz YBVHNOSBGLIION-MFKMUULPSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)o1 ZINC000634765402 344276683 /nfs/dbraw/zinc/27/66/83/344276683.db2.gz RIGBRABFQYQQKC-RNCFNFMXSA-N 2 0 249.314 0.610 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768275 344280175 /nfs/dbraw/zinc/28/01/75/344280175.db2.gz DFDPSQFTWFKATK-GUDRVLHUSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768802 344280694 /nfs/dbraw/zinc/28/06/94/344280694.db2.gz ZOKKOHCFBBTXOZ-XLDPMVHQSA-N 2 0 247.289 0.227 20 0 BCADRP COC(=O)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000212487531 344242507 /nfs/dbraw/zinc/24/25/07/344242507.db2.gz AFEYKIUVTQVQTI-UHFFFAOYSA-N 2 0 241.335 0.370 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)c1ccc(C[NH3+])cc1 ZINC000131870511 344355286 /nfs/dbraw/zinc/35/52/86/344355286.db2.gz ZSOFHNSXRWXJBX-JTQLQIEISA-N 2 0 235.331 0.731 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C1CC[NH2+]CC1 ZINC000131888511 344356671 /nfs/dbraw/zinc/35/66/71/344356671.db2.gz VFBMYSQVWCMDIP-NSHDSACASA-N 2 0 227.352 0.476 20 0 BCADRP COC(=O)CCCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000600712352 344361628 /nfs/dbraw/zinc/36/16/28/344361628.db2.gz XFQAKVJPZHCPOU-GHMZBOCLSA-N 2 0 228.336 0.999 20 0 BCADRP CC[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107368305 347050466 /nfs/dbraw/zinc/05/04/66/347050466.db2.gz WNTZNJBPIKXUJE-LBPRGKRZSA-N 2 0 211.353 0.718 20 0 BCADRP c1nc(N[C@@H]2CCC[NH2+]CC2)c2c(n1)NCCO2 ZINC000634813794 344399100 /nfs/dbraw/zinc/39/91/00/344399100.db2.gz XQOPIBMRQIUXOH-SECBINFHSA-N 2 0 249.318 0.835 20 0 BCADRP c1nc(N[C@H]2CCC[NH2+]CC2)c2c(n1)NCCO2 ZINC000634813795 344399296 /nfs/dbraw/zinc/39/92/96/344399296.db2.gz XQOPIBMRQIUXOH-VIFPVBQESA-N 2 0 249.318 0.835 20 0 BCADRP Cc1c[nH]c(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)n1 ZINC000628291869 347052098 /nfs/dbraw/zinc/05/20/98/347052098.db2.gz YDELSNOARHYGCG-WDEREUQCSA-N 2 0 220.320 0.854 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000564941362 344474534 /nfs/dbraw/zinc/47/45/34/344474534.db2.gz OPZSENWUPSYNGT-SNVBAGLBSA-N 2 0 239.363 0.701 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])CC(F)F ZINC000577396945 344526474 /nfs/dbraw/zinc/52/64/74/344526474.db2.gz UQUXWQPPLJNSCA-XHNCKOQMSA-N 2 0 249.305 0.603 20 0 BCADRP [NH3+]C1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000382004750 347054282 /nfs/dbraw/zinc/05/42/82/347054282.db2.gz KQWWNQDAPZDNLY-PWSUYJOCSA-N 2 0 212.337 0.961 20 0 BCADRP O=C(NC1C[NH2+]C1)c1cccn1C1CC[NH2+]CC1 ZINC000152424083 344558644 /nfs/dbraw/zinc/55/86/44/344558644.db2.gz GTBVHYOPUPFVIA-UHFFFAOYSA-N 2 0 248.330 0.114 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000641443730 362421822 /nfs/dbraw/zinc/42/18/22/362421822.db2.gz VLFUQOIXUICDJF-SNVBAGLBSA-N 2 0 228.340 0.069 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812665 344591715 /nfs/dbraw/zinc/59/17/15/344591715.db2.gz SAPWXHXLXSFANE-GFCCVEGCSA-N 2 0 237.347 0.293 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000037824249 344593478 /nfs/dbraw/zinc/59/34/78/344593478.db2.gz ASJNMTPLFJZPMM-GHMZBOCLSA-N 2 0 225.336 0.420 20 0 BCADRP CC[NH+](CC)CC1CCN(C(=O)C[NH2+]C)CC1 ZINC000037826233 344593656 /nfs/dbraw/zinc/59/36/56/344593656.db2.gz WJENEXMBXBLJQD-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)CC[NH3+] ZINC000045708789 344577809 /nfs/dbraw/zinc/57/78/09/344577809.db2.gz VTFGJUXBVPWFEV-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCCCC[NH+](C)C ZINC000045708585 344578306 /nfs/dbraw/zinc/57/83/06/344578306.db2.gz UCMWTCAXVYZFGU-SECBINFHSA-N 2 0 201.314 0.039 20 0 BCADRP C[C@@H]1CN(CC[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CCO1 ZINC000573966913 344578930 /nfs/dbraw/zinc/57/89/30/344578930.db2.gz AHBBVKDOHBXBGF-YNEHKIRRSA-N 2 0 241.379 0.376 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H](C)[NH3+] ZINC000641426150 362412451 /nfs/dbraw/zinc/41/24/51/362412451.db2.gz SBRROGFKVGKDIV-ZJUUUORDSA-N 2 0 228.340 0.117 20 0 BCADRP OCC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000168835509 537848641 /nfs/dbraw/zinc/84/86/41/537848641.db2.gz JDWOZFITACMYCV-VXGBXAGGSA-N 2 0 224.348 0.975 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H](C)[NH3+] ZINC000641426149 362413142 /nfs/dbraw/zinc/41/31/42/362413142.db2.gz SBRROGFKVGKDIV-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC1(C[NH3+])CCCC1 ZINC000309452268 347065360 /nfs/dbraw/zinc/06/53/60/347065360.db2.gz MVEXGXGRCLACST-SECBINFHSA-N 2 0 213.325 0.502 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000309464910 347069048 /nfs/dbraw/zinc/06/90/48/347069048.db2.gz PTDCCCMWGCWDMM-ZYHUDNBSSA-N 3 0 211.353 0.798 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000574156386 344684168 /nfs/dbraw/zinc/68/41/68/344684168.db2.gz ZZFLFVDIEBMJLQ-IVZWLZJFSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000574204925 344707835 /nfs/dbraw/zinc/70/78/35/344707835.db2.gz KVVDKKZURRYZIL-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000574204923 344708032 /nfs/dbraw/zinc/70/80/32/344708032.db2.gz KVVDKKZURRYZIL-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP O[C@H](C[NH2+]CC[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000038096755 344779675 /nfs/dbraw/zinc/77/96/75/344779675.db2.gz XBOIQOUNAGSEAQ-CHWSQXEVSA-N 2 0 242.363 0.602 20 0 BCADRP CN(C)C(=O)CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000390112495 259380523 /nfs/dbraw/zinc/38/05/23/259380523.db2.gz AZHIKPFXUUZFQL-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP CN(C)C(=O)CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000390112490 259380232 /nfs/dbraw/zinc/38/02/32/259380232.db2.gz AZHIKPFXUUZFQL-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3COC[C@H]3O)CC[C@H]21 ZINC000463105579 530059206 /nfs/dbraw/zinc/05/92/06/530059206.db2.gz HCJCTDSGZZUSMI-FVCCEPFGSA-N 2 0 240.347 0.162 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[NH2+]1 ZINC000309469518 347071528 /nfs/dbraw/zinc/07/15/28/347071528.db2.gz QSCJKAGSYIFVQS-ZJUUUORDSA-N 2 0 213.325 0.372 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)CC[NH2+]C(C)C ZINC000309471237 347071676 /nfs/dbraw/zinc/07/16/76/347071676.db2.gz AQMYTVIHIFLEOB-SNVBAGLBSA-N 2 0 215.341 0.489 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000574520155 344884331 /nfs/dbraw/zinc/88/43/31/344884331.db2.gz DXEVEOAMMUCWCN-UTLUCORTSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)c1conc1C(C)(C)[NH3+] ZINC000583391116 344877048 /nfs/dbraw/zinc/87/70/48/344877048.db2.gz KXGFYIFQOXJXNK-ZETCQYMHSA-N 2 0 240.307 0.336 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000582127377 344898087 /nfs/dbraw/zinc/89/80/87/344898087.db2.gz SZSFOLLGMNJICO-TUAOUCFPSA-N 2 0 230.352 0.314 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[NH2+]C[C@H]1C ZINC000124321583 187295734 /nfs/dbraw/zinc/29/57/34/187295734.db2.gz YNJSSODKUHQUQQ-SNVBAGLBSA-N 2 0 213.325 0.147 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccc(C[NH3+])o2)C[C@@H](C)[NH2+]1 ZINC000153710426 344957371 /nfs/dbraw/zinc/95/73/71/344957371.db2.gz ZOKLJWVWDXGNJB-RKDXNWHRSA-N 2 0 237.303 0.561 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccc(C[NH3+])o2)C[C@H](C)[NH2+]1 ZINC000153710231 344959912 /nfs/dbraw/zinc/95/99/12/344959912.db2.gz ZOKLJWVWDXGNJB-DTORHVGOSA-N 2 0 237.303 0.561 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000153738787 344962912 /nfs/dbraw/zinc/96/29/12/344962912.db2.gz GHEGNJIMUAOFSF-CHWSQXEVSA-N 2 0 244.379 0.969 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000583439675 344963794 /nfs/dbraw/zinc/96/37/94/344963794.db2.gz GNRIDJIRMJMDHG-WYUUTHIRSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@@H]1CN(C(=O)CC[C@H]2CC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000579120365 344940220 /nfs/dbraw/zinc/94/02/20/344940220.db2.gz ABGWTUFGJLDGOP-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226742837 187297272 /nfs/dbraw/zinc/29/72/72/187297272.db2.gz OWPROAMLTAFOCU-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)C1 ZINC000234839999 537879753 /nfs/dbraw/zinc/87/97/53/537879753.db2.gz ZCQPNAZLEGPZAZ-JHJVBQTASA-N 2 0 244.379 0.846 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000574749539 344989646 /nfs/dbraw/zinc/98/96/46/344989646.db2.gz AHHWYLLBRUGCHY-DCQANWLSSA-N 2 0 237.347 0.372 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000583448480 344997206 /nfs/dbraw/zinc/99/72/06/344997206.db2.gz COGXHOPAOAEPLO-GHMZBOCLSA-N 2 0 227.352 0.666 20 0 BCADRP CC(C)[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000319009606 259381812 /nfs/dbraw/zinc/38/18/12/259381812.db2.gz OXNVPPGTRIDUQM-QWRGUYRKSA-N 2 0 200.326 0.999 20 0 BCADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H](C)[NH2+]1 ZINC000154199128 345017862 /nfs/dbraw/zinc/01/78/62/345017862.db2.gz UUGBWNAYHVFEEH-QWRGUYRKSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC[C@H](O)C[NH+](C)C ZINC000154302925 345025926 /nfs/dbraw/zinc/02/59/26/345025926.db2.gz XXNMEYNELWPRSA-VOAKCMCISA-N 2 0 243.395 0.227 20 0 BCADRP CN(C)C(=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156023877 345119408 /nfs/dbraw/zinc/11/94/08/345119408.db2.gz PZERZKBBEFDZJS-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP CN(C)C(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156023746 345119487 /nfs/dbraw/zinc/11/94/87/345119487.db2.gz PZERZKBBEFDZJS-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000155657089 345095247 /nfs/dbraw/zinc/09/52/47/345095247.db2.gz OQQQKSNVYKXHSN-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000155695670 345096782 /nfs/dbraw/zinc/09/67/82/345096782.db2.gz PVXFZGHFFQRGIC-NHCYSSNCSA-N 2 0 241.379 0.959 20 0 BCADRP OCCOCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155823760 345107829 /nfs/dbraw/zinc/10/78/29/345107829.db2.gz MNMZLHWDYDGDSB-VXGBXAGGSA-N 2 0 228.336 0.212 20 0 BCADRP C[C@@H]1C[C@@H](NC[C@H](O)C(F)(F)F)CC[N@@H+]1C ZINC000155864885 345108914 /nfs/dbraw/zinc/10/89/14/345108914.db2.gz IBYJUUMRZORNSY-VGMNWLOBSA-N 2 0 240.269 0.982 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000634991302 345174067 /nfs/dbraw/zinc/17/40/67/345174067.db2.gz YHWXBCJHVUYWMO-UTUOFQBUSA-N 2 0 213.369 0.886 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1CC12CC(C1)C[NH2+]2 ZINC000634990897 345174185 /nfs/dbraw/zinc/17/41/85/345174185.db2.gz HLKMMRJZHHIYCI-IGJPJIBNSA-N 2 0 223.364 0.940 20 0 BCADRP C[NH2+][C@H]1CCCN(C[C@@H](C[NH3+])C(C)C)C1 ZINC000634991214 345174287 /nfs/dbraw/zinc/17/42/87/345174287.db2.gz UVXIJJKVERHUGW-NEPJUHHUSA-N 2 0 213.369 0.901 20 0 BCADRP COCC[NH+]1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991468 345177880 /nfs/dbraw/zinc/17/78/80/345177880.db2.gz FVSHTYCSNLXXHU-UHFFFAOYSA-N 2 0 239.363 0.002 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000634991737 345178502 /nfs/dbraw/zinc/17/85/02/345178502.db2.gz PVACGGNUJSXGDT-UTUOFQBUSA-N 2 0 229.368 0.265 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(CC34CC(C3)C[NH2+]4)C[C@@H]21 ZINC000634991688 345178507 /nfs/dbraw/zinc/17/85/07/345178507.db2.gz OBWPURSSIWWJQS-ANNIKCPVSA-N 2 0 235.375 0.798 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1CC12CC(C1)C[NH2+]2 ZINC000634991656 345178609 /nfs/dbraw/zinc/17/86/09/345178609.db2.gz NCNANMYEZGLTSO-CPCZMJQVSA-N 2 0 223.364 0.812 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634991930 345179149 /nfs/dbraw/zinc/17/91/49/345179149.db2.gz WYAWQJIZZCODQD-ZYGVAYEYSA-N 2 0 209.337 0.408 20 0 BCADRP C([N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)C12CC(C1)C[NH2+]2 ZINC000634994395 345181517 /nfs/dbraw/zinc/18/15/17/345181517.db2.gz BGVHYSBIAXMNAL-AKJUYKBHSA-N 3 0 235.375 0.670 20 0 BCADRP CC(C)[C@@H](C[NH3+])CNC[C@H]1CCC[NH2+]C1 ZINC000634994358 345181720 /nfs/dbraw/zinc/18/17/20/345181720.db2.gz ACOYPDBTIGAFDP-RYUDHWBXSA-N 2 0 213.369 0.807 20 0 BCADRP CCCC[C@H](C[NH3+])NCC12CC(C1)C[NH2+]2 ZINC000634994378 345181780 /nfs/dbraw/zinc/18/17/80/345181780.db2.gz ASXJQBPNEDHAFP-MOENNCHZSA-N 2 0 211.353 0.846 20 0 BCADRP CC(C)[C@@H](C[NH3+])CNC[C@@H]1CCC[NH2+]C1 ZINC000634994356 345181785 /nfs/dbraw/zinc/18/17/85/345181785.db2.gz ACOYPDBTIGAFDP-NEPJUHHUSA-N 2 0 213.369 0.807 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(CC34CC(C3)C[NH2+]4)[C@@H]2C1 ZINC000634994574 345181984 /nfs/dbraw/zinc/18/19/84/345181984.db2.gz HQHSDNALBOUUEX-CEUNDQEZSA-N 2 0 235.375 0.764 20 0 BCADRP C[C@H]1[C@H](C)[N@H+](C)CCN1CC12CC(C1)C[NH2+]2 ZINC000634994675 345182317 /nfs/dbraw/zinc/18/23/17/345182317.db2.gz KDKNRBPSYMVLAW-ZSVAQUKISA-N 2 0 223.364 0.763 20 0 BCADRP C(N1CC[C@@H]2[NH2+]CC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634994803 345182736 /nfs/dbraw/zinc/18/27/36/345182736.db2.gz NARQSSLCKMEDRS-QBHFIFKDSA-N 2 0 221.348 0.422 20 0 BCADRP CC(C)[C@H]([NH3+])CNC[C@H](C[NH3+])C(C)C ZINC000634995133 345183835 /nfs/dbraw/zinc/18/38/35/345183835.db2.gz VWPAKBCBMJNOQP-WDEREUQCSA-N 2 0 201.358 0.790 20 0 BCADRP CC(C)[C@H](C[NH3+])C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000634996851 345184321 /nfs/dbraw/zinc/18/43/21/345184321.db2.gz XBLOMSJFLULAHY-LLVKDONJSA-N 2 0 229.368 0.003 20 0 BCADRP CC(C)[C@H](C[NH3+])C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000634995475 345185378 /nfs/dbraw/zinc/18/53/78/345185378.db2.gz GGZGGJMGDPQNNK-NEPJUHHUSA-N 3 0 225.380 0.949 20 0 BCADRP CC(C)[C@H](C[NH3+])CN[C@@H]1CC[NH2+]C[C@@H]1C ZINC000634995904 345185958 /nfs/dbraw/zinc/18/59/58/345185958.db2.gz SHRRXDZOJLOBGI-QJPTWQEYSA-N 2 0 213.369 0.805 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1CN(CC13CC(C1)C[NH2+]3)C2 ZINC000634996654 345191080 /nfs/dbraw/zinc/19/10/80/345191080.db2.gz QAEFOOIHJBTPTK-QPPOZKHWSA-N 2 0 235.375 0.799 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1CC12CC(C1)C[NH2+]2 ZINC000634996627 345191091 /nfs/dbraw/zinc/19/10/91/345191091.db2.gz PQPPQDHFSNBRRE-QTAHKJALSA-N 2 0 209.337 0.550 20 0 BCADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634952048 345128214 /nfs/dbraw/zinc/12/82/14/345128214.db2.gz NUYZUDNNGVTQBL-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP CNC(=O)CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156145805 345128282 /nfs/dbraw/zinc/12/82/82/345128282.db2.gz AULLIQPVKISPNQ-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP CNC(=O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156145439 345128352 /nfs/dbraw/zinc/12/83/52/345128352.db2.gz AULLIQPVKISPNQ-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN1CCCO[C@H](C[NH3+])C1 ZINC000634996577 345188543 /nfs/dbraw/zinc/18/85/43/345188543.db2.gz OIKGNHTWLUKEMF-NWDGAFQWSA-N 2 0 229.368 0.267 20 0 BCADRP C[C@H](C(=O)N(C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000635059917 345229500 /nfs/dbraw/zinc/22/95/00/345229500.db2.gz SDUAKLWGYLRKMJ-SNVBAGLBSA-N 2 0 227.352 0.489 20 0 BCADRP C(N1CC[C@@H]2CC[NH2+][C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634993893 345191976 /nfs/dbraw/zinc/19/19/76/345191976.db2.gz JGXLTPREXWPVGW-ZFQMDJOTSA-N 2 0 221.348 0.422 20 0 BCADRP C[C@@H]1CC[C@@H](NCC23CC(C2)C[NH2+]3)C[NH2+]1 ZINC000634997326 345195550 /nfs/dbraw/zinc/19/55/50/345195550.db2.gz JAZGQKCXEWBWDW-QTAHKJALSA-N 2 0 209.337 0.469 20 0 BCADRP CC1(C[NH+]2CCC([NH2+]CCO)CC2)CC1 ZINC000635001337 345197402 /nfs/dbraw/zinc/19/74/02/345197402.db2.gz PFXJPZQZWPEHMQ-UHFFFAOYSA-N 2 0 212.337 0.833 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1C[NH3+] ZINC000634999469 345200667 /nfs/dbraw/zinc/20/06/67/345200667.db2.gz VDRZOBBTUJSSRH-FDYHWXHSSA-N 3 0 225.380 0.901 20 0 BCADRP CC(C)OCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000635012040 345213761 /nfs/dbraw/zinc/21/37/61/345213761.db2.gz IVOGUSGSEZHESL-QJPTWQEYSA-N 2 0 230.352 0.753 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000635349648 345318312 /nfs/dbraw/zinc/31/83/12/345318312.db2.gz ZOUBWYLGFIRDEO-IJLUTSLNSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000635255887 345289028 /nfs/dbraw/zinc/28/90/28/345289028.db2.gz YCUHWQDGPVPUAW-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@H](C(=O)N[C@@H](C)C[NH+]1CCCCC1)[NH+](C)C ZINC000635273055 345292670 /nfs/dbraw/zinc/29/26/70/345292670.db2.gz BGLCNEOBJGSZQU-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000131906899 345311190 /nfs/dbraw/zinc/31/11/90/345311190.db2.gz CCTXQOGNVHMBFH-QJPTWQEYSA-N 2 0 239.363 0.572 20 0 BCADRP CNC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000335373539 345339230 /nfs/dbraw/zinc/33/92/30/345339230.db2.gz AGQBJCSMCKNRAW-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000158528670 345345815 /nfs/dbraw/zinc/34/58/15/345345815.db2.gz QJVHVQVYVNJXBH-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H](C(=O)NC[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000635398982 345346227 /nfs/dbraw/zinc/34/62/27/345346227.db2.gz CSNNZAMMTFOOFB-NXEZZACHSA-N 2 0 213.325 0.004 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000158693976 345364821 /nfs/dbraw/zinc/36/48/21/345364821.db2.gz KUMQAUPQSMGDDG-UMNHJUIQSA-N 2 0 243.326 0.322 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000449102705 201809679 /nfs/dbraw/zinc/80/96/79/201809679.db2.gz LAAWWCGFXWRVOM-GHMZBOCLSA-N 2 0 241.379 0.879 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158782136 345376457 /nfs/dbraw/zinc/37/64/57/345376457.db2.gz STGFHXBRLSMNMI-ZDUSSCGKSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@H](C(=O)NC[C@H](C)C[NH+]1CCCC1)[NH+](C)C ZINC000635377964 345333583 /nfs/dbraw/zinc/33/35/83/345333583.db2.gz ZHAOTRRKLAJMSZ-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP CC[NH+](CC)CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000635524885 345416988 /nfs/dbraw/zinc/41/69/88/345416988.db2.gz BPSVAZRKJPFCPC-QWRGUYRKSA-N 2 0 240.351 0.084 20 0 BCADRP CC[NH+](CC)CCNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000635525659 345419095 /nfs/dbraw/zinc/41/90/95/345419095.db2.gz JIJPMNFVQMWKKP-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP CC[NH+]1CCC([NH2+]CCCOCCO)CC1 ZINC000134724735 345420365 /nfs/dbraw/zinc/42/03/65/345420365.db2.gz MCRXVFOMDSMQSJ-UHFFFAOYSA-N 2 0 230.352 0.459 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000449141196 201818820 /nfs/dbraw/zinc/81/88/20/201818820.db2.gz PJGFFDCOLODZOZ-SNVBAGLBSA-N 2 0 229.368 0.818 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000335797508 187304355 /nfs/dbraw/zinc/30/43/55/187304355.db2.gz LKQXJBBHAKATDM-DTWKUNHWSA-N 2 0 213.325 0.357 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000449172131 201827248 /nfs/dbraw/zinc/82/72/48/201827248.db2.gz BUGHRLJYKRFSST-GFCCVEGCSA-N 2 0 247.342 0.992 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635542015 345534788 /nfs/dbraw/zinc/53/47/88/345534788.db2.gz UVIPVFUTXQDZLF-LLVKDONJSA-N 2 0 227.352 0.491 20 0 BCADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)COC)CC1 ZINC000068891911 349931024 /nfs/dbraw/zinc/93/10/24/349931024.db2.gz RLYUWJSANFGUBF-LBPRGKRZSA-N 2 0 230.352 0.315 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N(CC[NH+](C)C)C1CC1 ZINC000563097337 323092230 /nfs/dbraw/zinc/09/22/30/323092230.db2.gz UFIWEAWNFLSTDF-ZYHUDNBSSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000563106133 323092641 /nfs/dbraw/zinc/09/26/41/323092641.db2.gz WQOCGXJPFJRXIU-AXFHLTTASA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071378454 187359573 /nfs/dbraw/zinc/35/95/73/187359573.db2.gz BTCBSAWKTGXHGI-LBPRGKRZSA-N 2 0 241.379 0.960 20 0 BCADRP CCCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000220578368 345746632 /nfs/dbraw/zinc/74/66/32/345746632.db2.gz MNJWJNMRKVPVEZ-LBPRGKRZSA-N 2 0 211.353 0.766 20 0 BCADRP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000635559447 345752029 /nfs/dbraw/zinc/75/20/29/345752029.db2.gz RGKXRQNHMHLKJU-GHMZBOCLSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000635559448 345752138 /nfs/dbraw/zinc/75/21/38/345752138.db2.gz BKVJTNAQVXCZRS-PWSUYJOCSA-N 2 0 239.363 0.632 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)C1CC[NH+](C)CC1 ZINC000168517552 345723026 /nfs/dbraw/zinc/72/30/26/345723026.db2.gz QHYVLSZZADHZCX-UHFFFAOYSA-N 2 0 241.379 0.738 20 0 BCADRP Cc1ccc(CNC[C@H]2C[NH2+]CCN2C)cc1 ZINC000211136802 345737192 /nfs/dbraw/zinc/73/71/92/345737192.db2.gz WSPBSEPOWVVAJG-CQSZACIVSA-N 2 0 233.359 0.988 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000563156592 323096125 /nfs/dbraw/zinc/09/61/25/323096125.db2.gz COHZOHIZHCXMBH-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000159979332 345767245 /nfs/dbraw/zinc/76/72/45/345767245.db2.gz PSWIXNRICDHKHI-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000380014377 365806003 /nfs/dbraw/zinc/80/60/03/365806003.db2.gz MRPYXFSRPUUUCW-JGVFFNPUSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)[NH+](C)C ZINC000635601382 345887925 /nfs/dbraw/zinc/88/79/25/345887925.db2.gz ATOXWWMCQZGJID-TUAOUCFPSA-N 2 0 241.379 0.735 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091392882 187360339 /nfs/dbraw/zinc/36/03/39/187360339.db2.gz LPNMIOROEZAXCS-RYUDHWBXSA-N 2 0 241.379 0.912 20 0 BCADRP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158919303 345874854 /nfs/dbraw/zinc/87/48/54/345874854.db2.gz FXTIJLIZAXIONC-AAEUAGOBSA-N 2 0 237.347 0.341 20 0 BCADRP C[C@@H]([NH2+]CCCC(=O)N(C)C)[C@@H]1CCCC[NH2+]1 ZINC000390330401 259386214 /nfs/dbraw/zinc/38/62/14/259386214.db2.gz HKEGGKRYFDJALB-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH+]1CCN(CCC[NH2+]CC2(F)CC2)CC1 ZINC000381440174 345904196 /nfs/dbraw/zinc/90/41/96/345904196.db2.gz DUIDUPFGPVOZGM-UHFFFAOYSA-N 2 0 229.343 0.716 20 0 BCADRP CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000179072082 345918384 /nfs/dbraw/zinc/91/83/84/345918384.db2.gz KJHUWFFUOHCQQT-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000563170932 323099795 /nfs/dbraw/zinc/09/97/95/323099795.db2.gz WLAJTRLNOXTFQW-VIFPVBQESA-N 2 0 213.325 0.372 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183323946 345937347 /nfs/dbraw/zinc/93/73/47/345937347.db2.gz JTJSMEJQCBZRHW-JTQLQIEISA-N 2 0 227.352 0.348 20 0 BCADRP CC[NH+](CC)CCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381470471 346001648 /nfs/dbraw/zinc/00/16/48/346001648.db2.gz OIBBFDTUZMCWCI-BETUJISGSA-N 2 0 225.380 0.870 20 0 BCADRP CC(C)[C@H](C(=O)NCC[NH+]1CCCC1)[NH+](C)C ZINC000601043348 346004780 /nfs/dbraw/zinc/00/47/80/346004780.db2.gz IRKGQVDJFLOTCH-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)C(C)(C)C ZINC000393983662 346017955 /nfs/dbraw/zinc/01/79/55/346017955.db2.gz VFMIMIPPFWPKEC-QWRGUYRKSA-N 2 0 232.368 0.296 20 0 BCADRP C[NH+](C)CC1(C(=O)N2CC([NH+](C)C)C2)CC1 ZINC000635744861 346056072 /nfs/dbraw/zinc/05/60/72/346056072.db2.gz SGSFPVLLJDAVKF-UHFFFAOYSA-N 2 0 225.336 0.101 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635768243 346058579 /nfs/dbraw/zinc/05/85/79/346058579.db2.gz CWJCZINEDHQISK-GFCCVEGCSA-N 2 0 241.379 0.738 20 0 BCADRP C[NH+](C)CC1(C(=O)NCC[NH+]2CCC2)CC1 ZINC000635722606 346031634 /nfs/dbraw/zinc/03/16/34/346031634.db2.gz BXUQNZMURJHHGD-UHFFFAOYSA-N 2 0 225.336 0.150 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000375426972 537936989 /nfs/dbraw/zinc/93/69/89/537936989.db2.gz JTSUUIRGGNFMHE-UWVGGRQHSA-N 2 0 247.342 0.889 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH+]2CCC2)C1 ZINC000635726004 346037676 /nfs/dbraw/zinc/03/76/76/346037676.db2.gz YZNHIOUADXWKHL-NSHDSACASA-N 2 0 225.336 0.150 20 0 BCADRP Cc1c(CN(C)CC(C)(C)[NH3+])cnn1C ZINC000381490024 346041370 /nfs/dbraw/zinc/04/13/70/346041370.db2.gz XBTWAIFFOOMJER-UHFFFAOYSA-N 2 0 210.325 0.898 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H](C)[NH+](C)C)C[C@H]1C ZINC000635749214 346047726 /nfs/dbraw/zinc/04/77/26/346047726.db2.gz DYPXJRJTGKGGEX-GRYCIOLGSA-N 2 0 241.379 0.878 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000332658831 187365323 /nfs/dbraw/zinc/36/53/23/187365323.db2.gz ODYXGVVSVXUKIT-KXNHARMFSA-N 2 0 239.363 0.426 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH3+] ZINC000449372412 201890311 /nfs/dbraw/zinc/89/03/11/201890311.db2.gz HQBHPIZUOWLZRT-JQWIXIFHSA-N 2 0 235.331 0.848 20 0 BCADRP C[C@H](C(=O)NCC12CCC[NH+]1CCC2)[NH+](C)C ZINC000635875706 346095122 /nfs/dbraw/zinc/09/51/22/346095122.db2.gz TYPOOXZXQUHLAE-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000449384064 201896827 /nfs/dbraw/zinc/89/68/27/201896827.db2.gz MAZMTGWZBFFPOP-AAEUAGOBSA-N 2 0 241.379 0.880 20 0 BCADRP C[NH+](C)CC1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC000635976471 346130735 /nfs/dbraw/zinc/13/07/35/346130735.db2.gz VXIXLUAOZZKBHS-UHFFFAOYSA-N 2 0 239.363 0.348 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)[NH+](C)C ZINC000635956504 346131769 /nfs/dbraw/zinc/13/17/69/346131769.db2.gz YLYFLQNXPHPMIS-OUAUKWLOSA-N 2 0 225.336 0.099 20 0 BCADRP CC(C)(C[NH3+])NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000364462773 187316035 /nfs/dbraw/zinc/31/60/35/187316035.db2.gz CXAQMUBYFHGLET-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000449399535 201904659 /nfs/dbraw/zinc/90/46/59/201904659.db2.gz BOGYYCQATVPTGF-HBNTYKKESA-N 2 0 227.352 0.489 20 0 BCADRP CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC000636028588 346164671 /nfs/dbraw/zinc/16/46/71/346164671.db2.gz DFPRMPJBWCUMOW-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000193170134 346144763 /nfs/dbraw/zinc/14/47/63/346144763.db2.gz IUTYAFOUNDXNFS-NXEZZACHSA-N 2 0 213.325 0.454 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000429410437 192098019 /nfs/dbraw/zinc/09/80/19/192098019.db2.gz QTSGBTRSFPMBDD-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP CC(C)(C[NH3+])NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000364462774 187316513 /nfs/dbraw/zinc/31/65/13/187316513.db2.gz CXAQMUBYFHGLET-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP CCOC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000069277609 349944172 /nfs/dbraw/zinc/94/41/72/349944172.db2.gz UKEHDSLNGPQDTH-AAEUAGOBSA-N 2 0 242.363 0.458 20 0 BCADRP CCOC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000069277613 349944182 /nfs/dbraw/zinc/94/41/82/349944182.db2.gz UKEHDSLNGPQDTH-YPMHNXCESA-N 2 0 242.363 0.458 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000082642413 187318354 /nfs/dbraw/zinc/31/83/54/187318354.db2.gz NZSWRTQSYPOKAM-SNVBAGLBSA-N 2 0 213.325 0.004 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)NCC[C@@H]1CCC[NH2+]C1 ZINC000152808735 346273476 /nfs/dbraw/zinc/27/34/76/346273476.db2.gz GTKXJRDWMDELQR-NWDGAFQWSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@H]1C[NH2+]CCN1C[C@H]1CCCC[NH2+]C1 ZINC000669378363 537968584 /nfs/dbraw/zinc/96/85/84/537968584.db2.gz BJIPWWDJKGWMRM-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@H]2CCC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000333668329 187366565 /nfs/dbraw/zinc/36/65/65/187366565.db2.gz MRBATDPEVOPWOL-VWYCJHECSA-N 2 0 240.351 0.130 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H](C)[NH+](C)C)CC[NH2+]1 ZINC000636239563 346365270 /nfs/dbraw/zinc/36/52/70/346365270.db2.gz OJLPNLVXILWRDC-GHMZBOCLSA-N 2 0 227.352 0.393 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000574906537 346408046 /nfs/dbraw/zinc/40/80/46/346408046.db2.gz PKNYVXXCHMFUHQ-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000069803129 349960608 /nfs/dbraw/zinc/96/06/08/349960608.db2.gz SQKMREUOLHKIMP-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000563415751 323123482 /nfs/dbraw/zinc/12/34/82/323123482.db2.gz FXGAYOAYVWTRQJ-GXSJLCMTSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1C[N@H+](CCc2cncn2C)CC[C@@H]1[NH3+] ZINC000641795867 362736737 /nfs/dbraw/zinc/73/67/37/362736737.db2.gz APDPFBASMYPSBI-PWSUYJOCSA-N 2 0 222.336 0.632 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)CC[C@@H](C)[NH3+] ZINC000069840101 349962125 /nfs/dbraw/zinc/96/21/25/349962125.db2.gz MHTBSRYMALYLER-LLVKDONJSA-N 2 0 229.368 0.914 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000070074108 349965153 /nfs/dbraw/zinc/96/51/53/349965153.db2.gz KOXDFQVZJCEPSI-LBPRGKRZSA-N 2 0 239.363 0.670 20 0 BCADRP COCC1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000070081111 349965615 /nfs/dbraw/zinc/96/56/15/349965615.db2.gz XUPIQRWYHYDMAD-UHFFFAOYSA-N 2 0 241.379 0.250 20 0 BCADRP Cn1cncc1CC[NH2+]CC1([NH3+])CCC1 ZINC000641797797 362738913 /nfs/dbraw/zinc/73/89/13/362738913.db2.gz HLPXFOMTSQYXFQ-UHFFFAOYSA-N 2 0 208.309 0.434 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC1CC[NH2+]CC1 ZINC000580071494 346507606 /nfs/dbraw/zinc/50/76/06/346507606.db2.gz UJMZQYZEPXJQAK-RKDXNWHRSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@H]1C[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC000580075101 346511224 /nfs/dbraw/zinc/51/12/24/346511224.db2.gz ULXXYTLNLAVZOH-ZDEQEGDKSA-N 3 0 223.364 0.526 20 0 BCADRP C[C@@H]1CCC[N@H+](CCNC(=O)CCCC[NH3+])C1 ZINC000577103638 365816938 /nfs/dbraw/zinc/81/69/38/365816938.db2.gz TUSAUHLYXDYVTD-GFCCVEGCSA-N 2 0 241.379 0.964 20 0 BCADRP CCCn1ncnc1CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641800627 362752204 /nfs/dbraw/zinc/75/22/04/362752204.db2.gz CAKDSRNPJZIKNL-VHSXEESVSA-N 2 0 237.351 0.904 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000641801040 362753618 /nfs/dbraw/zinc/75/36/18/362753618.db2.gz LWYOTVWQMJKDGV-AXFHLTTASA-N 3 0 239.363 0.223 20 0 BCADRP CCN(CC)C(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000070188209 349966633 /nfs/dbraw/zinc/96/66/33/349966633.db2.gz CZTQOAKFLWOLTA-UHFFFAOYSA-N 2 0 241.379 0.916 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000641801829 362757549 /nfs/dbraw/zinc/75/75/49/362757549.db2.gz FPPFNUGKQODWNL-GHMZBOCLSA-N 3 0 211.353 0.701 20 0 BCADRP CCN(C)C(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802291 362758044 /nfs/dbraw/zinc/75/80/44/362758044.db2.gz ITXQZIRXHGXMOK-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000580172429 346596556 /nfs/dbraw/zinc/59/65/56/346596556.db2.gz MZMDOHKUNHOVQI-CYBMUJFWSA-N 2 0 249.358 0.672 20 0 BCADRP COC[C@H](C)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000187673259 346596969 /nfs/dbraw/zinc/59/69/69/346596969.db2.gz NYYHMTGNYWMRPX-CYBMUJFWSA-N 2 0 244.379 0.971 20 0 BCADRP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000300396192 346613473 /nfs/dbraw/zinc/61/34/73/346613473.db2.gz BANGPYYPQDYHQL-ZRUFSTJUSA-N 2 0 232.393 0.958 20 0 BCADRP COC[C@H](CCO)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000300396419 346613477 /nfs/dbraw/zinc/61/34/77/346613477.db2.gz DPTCFWPEQQAINK-AXFHLTTASA-N 2 0 216.325 0.243 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C[NH2+]C2CC2)C[N@@H+]1C1CC1 ZINC000580644718 365832375 /nfs/dbraw/zinc/83/23/75/365832375.db2.gz VNLPYMORJZUUQN-ONGXEEELSA-N 2 0 237.347 0.480 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000580714329 346619535 /nfs/dbraw/zinc/61/95/35/346619535.db2.gz RCWDDNDWHWFCQT-SDDRHHMPSA-N 2 0 237.347 0.054 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000580192065 346646365 /nfs/dbraw/zinc/64/63/65/346646365.db2.gz VTVGOORRHKNAOF-SRVKXCTJSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000580192063 346646614 /nfs/dbraw/zinc/64/66/14/346646614.db2.gz VTVGOORRHKNAOF-QJPTWQEYSA-N 2 0 239.363 0.395 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000165605629 346655229 /nfs/dbraw/zinc/65/52/29/346655229.db2.gz UMQWUHUNOJLZJO-GFCCVEGCSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]CCC[N@@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000204536588 346659911 /nfs/dbraw/zinc/65/99/11/346659911.db2.gz ACSZCFDDFHQTAF-GHMZBOCLSA-N 2 0 200.326 0.953 20 0 BCADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000580715338 346663491 /nfs/dbraw/zinc/66/34/91/346663491.db2.gz YFOOLTZGXQSPOZ-QWHCGFSZSA-N 3 0 225.380 0.965 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000381699109 346709257 /nfs/dbraw/zinc/70/92/57/346709257.db2.gz ICPQBLSLUAWLIC-DTWKUNHWSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@H](c1cccnc1)N(C)C[C@@H](O)C[NH3+] ZINC000580650301 365844388 /nfs/dbraw/zinc/84/43/88/365844388.db2.gz VZWPKVJBMILYGA-KOLCDFICSA-N 2 0 209.293 0.394 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000167946426 346721753 /nfs/dbraw/zinc/72/17/53/346721753.db2.gz SXBHMKCJXDMOOG-SNVBAGLBSA-N 2 0 213.325 0.135 20 0 BCADRP C[C@H](c1cccnc1)N(C)C[C@H](O)C[NH3+] ZINC000580650302 365845325 /nfs/dbraw/zinc/84/53/25/365845325.db2.gz VZWPKVJBMILYGA-MWLCHTKSSA-N 2 0 209.293 0.394 20 0 BCADRP C[C@@H]1CN(C(=O)CC[NH2+]C2CC2)CC[C@H]1[NH3+] ZINC000580215949 346698182 /nfs/dbraw/zinc/69/81/82/346698182.db2.gz IXJPELSTAONBIP-MWLCHTKSSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]([NH3+])c1ccc(C(=O)NCCC[NH3+])cc1 ZINC000577176540 365858706 /nfs/dbraw/zinc/85/87/06/365858706.db2.gz RRADXPIBBGOEHO-SECBINFHSA-N 2 0 221.304 0.785 20 0 BCADRP CC[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC000577176072 365859233 /nfs/dbraw/zinc/85/92/33/365859233.db2.gz BEXDLNFLURHKFM-UHFFFAOYSA-N 2 0 215.341 0.444 20 0 BCADRP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699679 346780472 /nfs/dbraw/zinc/78/04/72/346780472.db2.gz VNZZCQQFAZKGFO-OUAUKWLOSA-N 2 0 227.352 0.570 20 0 BCADRP O=C(CCn1ccnc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209369559 346735892 /nfs/dbraw/zinc/73/58/92/346735892.db2.gz LREFMSSFWCNKIB-MNOVXSKESA-N 2 0 234.303 0.094 20 0 BCADRP CC(=O)NCC[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000308207082 346747422 /nfs/dbraw/zinc/74/74/22/346747422.db2.gz ZRXHUSRXIJMLNV-GFCCVEGCSA-N 2 0 227.352 0.444 20 0 BCADRP CC(=O)NCC[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000308207084 346747659 /nfs/dbraw/zinc/74/76/59/346747659.db2.gz ZRXHUSRXIJMLNV-LBPRGKRZSA-N 2 0 227.352 0.444 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH2+]CC ZINC000336740585 347109680 /nfs/dbraw/zinc/10/96/80/347109680.db2.gz MLMYIFWUBUDSOD-VHSXEESVSA-N 2 0 215.341 0.618 20 0 BCADRP [NH3+]CC1(CN2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622004035 370653122 /nfs/dbraw/zinc/65/31/22/370653122.db2.gz JFKHMEHWMROVTO-ZYHUDNBSSA-N 2 0 209.337 0.539 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000582061785 347155736 /nfs/dbraw/zinc/15/57/36/347155736.db2.gz VBJZLWFNZOJVGB-MMWGEVLESA-N 2 0 225.336 0.180 20 0 BCADRP COC(=O)CC1(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000601325495 347207183 /nfs/dbraw/zinc/20/71/83/347207183.db2.gz DGUQGDJSTLXQLH-GHMZBOCLSA-N 2 0 240.347 0.856 20 0 BCADRP Cc1ncccc1C[N@H+](C)CCOCC[NH3+] ZINC000380681096 347233739 /nfs/dbraw/zinc/23/37/39/347233739.db2.gz GGRDONMEGNBLQQ-UHFFFAOYSA-N 2 0 223.320 0.797 20 0 BCADRP OCC1(CC[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000395845489 362799384 /nfs/dbraw/zinc/79/93/84/362799384.db2.gz IRJCJECEQPGPPH-LBPRGKRZSA-N 2 0 242.363 0.195 20 0 BCADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000250331863 362799410 /nfs/dbraw/zinc/79/94/10/362799410.db2.gz OPKNAKVJRNXKJA-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CC(F)F ZINC000310307304 347261203 /nfs/dbraw/zinc/26/12/03/347261203.db2.gz SAFWZIWLTPRPCN-RKDXNWHRSA-N 2 0 249.305 0.569 20 0 BCADRP CC1(C)CN(C(=O)[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000335627362 347264286 /nfs/dbraw/zinc/26/42/86/347264286.db2.gz QCPNVAVKKAUPIL-JTQLQIEISA-N 2 0 225.336 0.339 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000082280636 347328658 /nfs/dbraw/zinc/32/86/58/347328658.db2.gz UHYHWTDBSRCGQL-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH+]1CCC([NH2+]CCOCCO)CC1 ZINC000020198539 347412736 /nfs/dbraw/zinc/41/27/36/347412736.db2.gz XIJGGFWYQQLFSK-UHFFFAOYSA-N 2 0 216.325 0.069 20 0 BCADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000396453151 362821051 /nfs/dbraw/zinc/82/10/51/362821051.db2.gz KSAPQFGJIOEMIJ-ZYHUDNBSSA-N 3 0 211.353 0.668 20 0 BCADRP CC(C)[C@@H]1CC[C@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000582116261 347377910 /nfs/dbraw/zinc/37/79/10/347377910.db2.gz LCCPDCURFZPVSC-NWDGAFQWSA-N 2 0 239.363 0.442 20 0 BCADRP O[C@H](C[NH2+]C[C@@H]1CCC[C@H]1O)C[NH+]1CCCC1 ZINC000250821389 362823409 /nfs/dbraw/zinc/82/34/09/362823409.db2.gz GDOUPAYQYPQPMN-YNEHKIRRSA-N 2 0 242.363 0.194 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000390551797 347390659 /nfs/dbraw/zinc/39/06/59/347390659.db2.gz PALHZUGCELLTOC-VIFPVBQESA-N 2 0 213.325 0.039 20 0 BCADRP COCC(COC)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000388423782 347398288 /nfs/dbraw/zinc/39/82/88/347398288.db2.gz JBZXOIDINYPHSH-VHSXEESVSA-N 2 0 216.325 0.507 20 0 BCADRP CN1CCC[C@H]([NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000396753676 362832967 /nfs/dbraw/zinc/83/29/67/362832967.db2.gz YGVVIFDEGWYCJB-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H]1CC[NH2+]1 ZINC000577215822 365884876 /nfs/dbraw/zinc/88/48/76/365884876.db2.gz TYYUDSUDRRLUOP-GMTAPVOTSA-N 2 0 225.336 0.147 20 0 BCADRP [NH3+]CCCOC1CC[NH+](CC2(C[NH3+])CC2)CC1 ZINC000577221287 365887704 /nfs/dbraw/zinc/88/77/04/365887704.db2.gz LWEGGBAJZOMHCT-UHFFFAOYSA-N 3 0 241.379 0.555 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000382986594 347522253 /nfs/dbraw/zinc/52/22/53/347522253.db2.gz WFLYNCHHMOVFBY-JQWIXIFHSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000382986593 347522594 /nfs/dbraw/zinc/52/25/94/347522594.db2.gz WFLYNCHHMOVFBY-CMPLNLGQSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000590786452 347557064 /nfs/dbraw/zinc/55/70/64/347557064.db2.gz DCDPPTZAXAODMY-NSHDSACASA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000571641037 323150549 /nfs/dbraw/zinc/15/05/49/323150549.db2.gz YUQUSJFBTRAZQR-GUBZILKMSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000343435218 133680728 /nfs/dbraw/zinc/68/07/28/133680728.db2.gz BJIZOZFQYQFSAK-BJDJZHNGSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@H]1C(=O)NCC[N@H+]1CC1CC[NH2+]CC1 ZINC000082476690 347618353 /nfs/dbraw/zinc/61/83/53/347618353.db2.gz SCANZYUVVIHKNX-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000591096395 347618517 /nfs/dbraw/zinc/61/85/17/347618517.db2.gz IVZGSEFSPVMVKO-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000591101272 347619664 /nfs/dbraw/zinc/61/96/64/347619664.db2.gz GONGXQIJUKIDAB-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000591442543 347662058 /nfs/dbraw/zinc/66/20/58/347662058.db2.gz QYKCTVBINHTXBO-QWRGUYRKSA-N 2 0 225.336 0.149 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000591442545 347662177 /nfs/dbraw/zinc/66/21/77/347662177.db2.gz QYKCTVBINHTXBO-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP CC[NH2+]CCCNC(=O)NC[C@H]([NH3+])CC ZINC000577270172 365910928 /nfs/dbraw/zinc/91/09/28/365910928.db2.gz RLLYCKIOHUIKLF-SECBINFHSA-N 2 0 216.329 0.023 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335306524 535065095 /nfs/dbraw/zinc/06/50/95/535065095.db2.gz CDCKJJJFRINHME-ZDUSSCGKSA-N 2 0 239.363 0.573 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000577281220 365916467 /nfs/dbraw/zinc/91/64/67/365916467.db2.gz UOTHATPFDYZSJE-OUJBWJOFSA-N 2 0 237.347 0.243 20 0 BCADRP COC(=O)[C@@H](C)C[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000592493351 347787910 /nfs/dbraw/zinc/78/79/10/347787910.db2.gz OZUBRMZEAPTCOX-UWVGGRQHSA-N 2 0 214.309 0.337 20 0 BCADRP COC[C@](C)(CC(=O)OC)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000592495827 347788441 /nfs/dbraw/zinc/78/84/41/347788441.db2.gz RARKSZLWADDTQP-JQWIXIFHSA-N 2 0 244.335 0.154 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000343643190 133700534 /nfs/dbraw/zinc/70/05/34/133700534.db2.gz PRVDPZFNFPFMIW-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000577367537 365935395 /nfs/dbraw/zinc/93/53/95/365935395.db2.gz SJZKGAGQTIQTKO-JMJZKYOTSA-N 2 0 225.336 0.180 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000449543754 201960189 /nfs/dbraw/zinc/96/01/89/201960189.db2.gz OVXAERJPKZYZQW-NNYUYHANSA-N 2 0 241.379 0.877 20 0 BCADRP CSC[C@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594576860 348075309 /nfs/dbraw/zinc/07/53/09/348075309.db2.gz CGRMJGYMKOUKLR-OUAUKWLOSA-N 2 0 232.393 0.640 20 0 BCADRP COC(=O)C1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000594581090 348076369 /nfs/dbraw/zinc/07/63/69/348076369.db2.gz MUZSYEACLYLUIH-VHSXEESVSA-N 2 0 226.320 0.799 20 0 BCADRP C(SC[C@@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000594696519 348100700 /nfs/dbraw/zinc/10/07/00/348100700.db2.gz PIGDQKXSJGQXQK-NSHDSACASA-N 2 0 230.377 0.708 20 0 BCADRP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCC[NH+](C)C ZINC000594920694 348155281 /nfs/dbraw/zinc/15/52/81/348155281.db2.gz HHGBHLGVLBTNMV-GARJFASQSA-N 2 0 228.336 0.725 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000417614886 323177670 /nfs/dbraw/zinc/17/76/70/323177670.db2.gz WFIYALGGKZYEMP-GHMZBOCLSA-N 2 0 244.383 0.753 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000334166773 535072189 /nfs/dbraw/zinc/07/21/89/535072189.db2.gz APOIQVIVQWRKSK-SECBINFHSA-N 2 0 225.336 0.230 20 0 BCADRP CC[NH2+]CCNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418316405 490145809 /nfs/dbraw/zinc/14/58/09/490145809.db2.gz JZHDUJBQUOOCKI-LLVKDONJSA-N 2 0 242.367 0.427 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C2C[NH2+]C2)C1 ZINC000253181046 348347384 /nfs/dbraw/zinc/34/73/84/348347384.db2.gz UEPRILLIBJGIPC-ZYHUDNBSSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H](CNC(=O)[C@@H]([NH3+])CC(F)F)[NH+]1CCCC1 ZINC000383341373 348347671 /nfs/dbraw/zinc/34/76/71/348347671.db2.gz KQQPHOGUBWVMKQ-BDAKNGLRSA-N 2 0 249.305 0.569 20 0 BCADRP C[C@H]1CCN(CC[NH2+]CC2(C)COC2)C1 ZINC000309095736 349985091 /nfs/dbraw/zinc/98/50/91/349985091.db2.gz CSYQVUVZWNVXPV-NSHDSACASA-N 2 0 212.337 0.954 20 0 BCADRP COC(=O)C12CC(C1)C[N@@H+]2CC1CC[NH2+]CC1 ZINC000595882431 348388607 /nfs/dbraw/zinc/38/86/07/348388607.db2.gz KEOABCDOIRMLKW-UHFFFAOYSA-N 2 0 238.331 0.623 20 0 BCADRP COC(=O)[C@H]1C[C@@H]([N@H+](C)CC2CC[NH2+]CC2)C1 ZINC000595885504 348388670 /nfs/dbraw/zinc/38/86/70/348388670.db2.gz IJZPKJJDMHGMJV-TXEJJXNPSA-N 2 0 240.347 0.869 20 0 BCADRP C[C@H](CCO)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000397791886 362913161 /nfs/dbraw/zinc/91/31/61/362913161.db2.gz SRDIIACUJRECFH-QWHCGFSZSA-N 2 0 244.379 0.441 20 0 BCADRP CC(C)=CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595902651 348395302 /nfs/dbraw/zinc/39/53/02/348395302.db2.gz CPAVXWTYRSRMGJ-RYUDHWBXSA-N 2 0 237.347 0.587 20 0 BCADRP CC(C)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595903545 348395571 /nfs/dbraw/zinc/39/55/71/348395571.db2.gz XYCZOJFDQANUNB-DCAQKATOSA-N 2 0 225.336 0.275 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CC[C@@H](C)[NH3+] ZINC000308844657 348852474 /nfs/dbraw/zinc/85/24/74/348852474.db2.gz OTDZPWAJGUNVIT-RKDXNWHRSA-N 2 0 201.314 0.213 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H](C)[NH2+]C ZINC000054071667 348873904 /nfs/dbraw/zinc/87/39/04/348873904.db2.gz RIJHKNFGOCEBBZ-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC000054071944 348874660 /nfs/dbraw/zinc/87/46/60/348874660.db2.gz VARMTCPWTZIACX-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP CC[NH+]1CCC(C[NH2+]Cc2cn(C)nn2)CC1 ZINC000054861022 349087801 /nfs/dbraw/zinc/08/78/01/349087801.db2.gz IFRHQDQJMKMYLM-UHFFFAOYSA-N 2 0 237.351 0.637 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2COCCO2)C1 ZINC000250631742 349176697 /nfs/dbraw/zinc/17/66/97/349176697.db2.gz DFMHFBDWEYJUOK-MXWKQRLJSA-N 2 0 214.309 0.261 20 0 BCADRP O=C(C[NH2+]C1CC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000250886547 349181019 /nfs/dbraw/zinc/18/10/19/349181019.db2.gz WODMKDYOSDZPBF-NWDGAFQWSA-N 2 0 237.347 0.481 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](C)COC)C1 ZINC000251134261 349182687 /nfs/dbraw/zinc/18/26/87/349182687.db2.gz UZTBHLPWMZOPCH-QWRGUYRKSA-N 2 0 200.326 0.810 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000248986144 349158729 /nfs/dbraw/zinc/15/87/29/349158729.db2.gz GIQVZGMROJQDCH-IVZWLZJFSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC000250507757 349174403 /nfs/dbraw/zinc/17/44/03/349174403.db2.gz AHRNZIAWHHVKHU-RYUDHWBXSA-N 2 0 214.353 0.935 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000252656560 349208465 /nfs/dbraw/zinc/20/84/65/349208465.db2.gz HVILLWBBZPYXTD-GRYCIOLGSA-N 2 0 239.363 0.620 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000252656327 349208597 /nfs/dbraw/zinc/20/85/97/349208597.db2.gz CTGLHFZRBCGONR-DCAQKATOSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252851467 349219109 /nfs/dbraw/zinc/21/91/09/349219109.db2.gz IBQUEOKFVAYRRW-KKOKHZNYSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252198223 349198056 /nfs/dbraw/zinc/19/80/56/349198056.db2.gz VVEHRYQCSVLVRC-BBBLOLIVSA-N 2 0 213.325 0.132 20 0 BCADRP CC[C@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])[NH+](CC)CC ZINC000449604735 201984146 /nfs/dbraw/zinc/98/41/46/201984146.db2.gz UHVOESXRFNNQSI-GARJFASQSA-N 2 0 229.368 0.959 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)CCC[NH3+])C[C@H]1C[NH3+] ZINC000422537482 192424733 /nfs/dbraw/zinc/42/47/33/192424733.db2.gz GYMOXNMOYBPUBS-OUAUKWLOSA-N 2 0 227.352 0.557 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)CC[NH2+]C1CC1 ZINC000061645134 349375836 /nfs/dbraw/zinc/37/58/36/349375836.db2.gz UJUMXWZJUPNLRC-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061645193 349376078 /nfs/dbraw/zinc/37/60/78/349376078.db2.gz WFCRIVVQKRVPSJ-GFCCVEGCSA-N 2 0 241.379 0.927 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000070618618 350032044 /nfs/dbraw/zinc/03/20/44/350032044.db2.gz OIVHMEWUOPYSEL-LBPRGKRZSA-N 2 0 225.336 0.293 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)NCC[NH+](C)C ZINC000342669202 538049295 /nfs/dbraw/zinc/04/92/95/538049295.db2.gz WTAUQTQDJZMKDU-NSHDSACASA-N 2 0 244.383 0.578 20 0 BCADRP COC[C@@H](C)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000309118633 350035879 /nfs/dbraw/zinc/03/58/79/350035879.db2.gz SBLGEVYNVASZBA-MWLCHTKSSA-N 2 0 216.325 0.066 20 0 BCADRP C[C@@]1(C(=O)NCc2ncc[nH]2)CCC[NH2+]1 ZINC000070646750 350038901 /nfs/dbraw/zinc/03/89/01/350038901.db2.gz FNRNKCAPFFKBOE-JTQLQIEISA-N 2 0 208.265 0.168 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000069839292 191006287 /nfs/dbraw/zinc/00/62/87/191006287.db2.gz LPAVPAFUCGGSNP-NSHDSACASA-N 2 0 227.352 0.666 20 0 BCADRP NC(=O)[C@@H]1CCCN1CCC[NH2+]C1CSC1 ZINC000390781852 350087740 /nfs/dbraw/zinc/08/77/40/350087740.db2.gz KQCSEHACMWVFKA-JTQLQIEISA-N 2 0 243.376 0.031 20 0 BCADRP C[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000131752109 191017026 /nfs/dbraw/zinc/01/70/26/191017026.db2.gz IOZAKVVUHSCGGL-RCWTZXSCSA-N 2 0 200.326 0.686 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CCSC1 ZINC000224611945 490332821 /nfs/dbraw/zinc/33/28/21/490332821.db2.gz TZNPTVYCZJFQMX-GFCCVEGCSA-N 2 0 243.420 0.577 20 0 BCADRP CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637014518 350140124 /nfs/dbraw/zinc/14/01/24/350140124.db2.gz GKRJKHBSLHLPMK-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP C[C@@H](C(=O)NC[C@H](C)[N@H+](C)C1CC1)C1C[NH2+]C1 ZINC000219942092 350151473 /nfs/dbraw/zinc/15/14/73/350151473.db2.gz IZCNMSMMYWSSIX-VHSXEESVSA-N 2 0 239.363 0.441 20 0 BCADRP C[NH2+]Cc1cccc(NC(=O)C2(C)C[NH2+]C2)c1 ZINC000422740061 192449098 /nfs/dbraw/zinc/44/90/98/192449098.db2.gz MDZLSIIKXAHLCX-UHFFFAOYSA-N 2 0 233.315 0.954 20 0 BCADRP C[C@@H]1CN(Cc2ccn(C)n2)C[C@@]1(C)C[NH3+] ZINC000309190783 350160519 /nfs/dbraw/zinc/16/05/19/350160519.db2.gz IVRDDGODNYHOPN-ZYHUDNBSSA-N 2 0 222.336 0.837 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC1(C[NH3+])CCCC1 ZINC000236648500 191059199 /nfs/dbraw/zinc/05/91/99/191059199.db2.gz ALWAZXGTWNNMPY-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000236758909 191061080 /nfs/dbraw/zinc/06/10/80/191061080.db2.gz TZZZLZVLXSYHGL-MNOVXSKESA-N 2 0 227.352 0.426 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC1CC[NH+](C)CC1 ZINC000037267582 191069256 /nfs/dbraw/zinc/06/92/56/191069256.db2.gz JXCJAKPJAQHBKM-NSHDSACASA-N 2 0 227.352 0.570 20 0 BCADRP Cn1ncnc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000229940711 490368616 /nfs/dbraw/zinc/36/86/16/490368616.db2.gz FIJHUDLQFSTZFF-UHFFFAOYSA-N 2 0 237.351 0.637 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000427615006 191084940 /nfs/dbraw/zinc/08/49/40/191084940.db2.gz ZCKODAPEEOZPPS-CKYFFXLPSA-N 2 0 225.336 0.100 20 0 BCADRP C[NH+](C)Cc1ccc(CNC(=O)C[NH3+])cc1 ZINC000309261255 350243706 /nfs/dbraw/zinc/24/37/06/350243706.db2.gz IDJKVBIDIAXPMU-UHFFFAOYSA-N 2 0 221.304 0.323 20 0 BCADRP CCNC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086402907 490414340 /nfs/dbraw/zinc/41/43/40/490414340.db2.gz IRKANKYIBYFUJH-GUBZILKMSA-N 2 0 213.325 0.371 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@H](C)CC[NH3+] ZINC000309101790 323317411 /nfs/dbraw/zinc/31/74/11/323317411.db2.gz GDMYIIRUHUAQBE-PSASIEDQSA-N 2 0 201.314 0.357 20 0 BCADRP COC[C@@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068891155 350300290 /nfs/dbraw/zinc/30/02/90/350300290.db2.gz OMXSRZKYRPJGLP-LBPRGKRZSA-N 2 0 230.352 0.267 20 0 BCADRP C[C@@H](CNC(=O)CC[NH3+])C[NH+]1CCCCC1 ZINC000038042238 350302860 /nfs/dbraw/zinc/30/28/60/350302860.db2.gz FCBYRRREITULHM-NSHDSACASA-N 2 0 227.352 0.573 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCN1CCOCC1 ZINC000565155142 323319678 /nfs/dbraw/zinc/31/96/78/323319678.db2.gz CPPOTINEAVZSFA-STQMWFEESA-N 2 0 241.379 0.520 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050465564 350343603 /nfs/dbraw/zinc/34/36/03/350343603.db2.gz AQSXZYOIFWFLTA-BBBLOLIVSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[N@H+](C)C(C)C ZINC000429141678 191096872 /nfs/dbraw/zinc/09/68/72/191096872.db2.gz LOKKNIXKDVPEQC-SNVBAGLBSA-N 2 0 215.341 0.426 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1CCOCC[NH3+] ZINC000309369585 350355334 /nfs/dbraw/zinc/35/53/34/350355334.db2.gz BSKQOAUKVHMAMG-LLVKDONJSA-N 2 0 215.341 0.036 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000040673702 350393423 /nfs/dbraw/zinc/39/34/23/350393423.db2.gz MBMQXMKFMLPORV-ZJUUUORDSA-N 2 0 245.392 0.277 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000069840045 350414669 /nfs/dbraw/zinc/41/46/69/350414669.db2.gz PVZVFMCWJAFAEE-VHSXEESVSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000069840249 350418553 /nfs/dbraw/zinc/41/85/53/350418553.db2.gz WIHPKUSUINNUBC-WDEREUQCSA-N 2 0 227.352 0.666 20 0 BCADRP COCC[C@H](COC)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000309346265 323344869 /nfs/dbraw/zinc/34/48/69/323344869.db2.gz MGWHAXDDANLPHV-GRYCIOLGSA-N 2 0 230.352 0.897 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)NCC[NH2+]C1CC1 ZINC000637339198 350464691 /nfs/dbraw/zinc/46/46/91/350464691.db2.gz HDGLBIFXWNKFBW-NSHDSACASA-N 2 0 240.351 0.261 20 0 BCADRP C[C@H]1CN(C(=O)NCC[NH2+]C2CC2)[C@@H](C)C[NH2+]1 ZINC000637340008 350465897 /nfs/dbraw/zinc/46/58/97/350465897.db2.gz NMPDGDKOMBCEHI-UWVGGRQHSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062116510 350539474 /nfs/dbraw/zinc/53/94/74/350539474.db2.gz AYISSJCDFTXNOJ-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)CC1(C[NH3+])CC1 ZINC000577500435 365969519 /nfs/dbraw/zinc/96/95/19/365969519.db2.gz JLONIDBPZSADHL-UHFFFAOYSA-N 2 0 213.325 0.359 20 0 BCADRP CO[C@@H](C[NH3+])C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000577501939 365970893 /nfs/dbraw/zinc/97/08/93/365970893.db2.gz VZBUHCGBJOCHIW-KWQFWETISA-N 2 0 237.303 0.619 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000220411339 490599232 /nfs/dbraw/zinc/59/92/32/490599232.db2.gz YNEKCDCLDGMGAA-UBJLHIIHSA-N 2 0 225.336 0.465 20 0 BCADRP C[NH+](C)[C@H](CNC(N)=[NH2+])C1CCCCC1 ZINC000066245343 350577907 /nfs/dbraw/zinc/57/79/07/350577907.db2.gz GUMZNEKAAQFQRV-SNVBAGLBSA-N 2 0 212.341 0.980 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCCC[NH3+] ZINC000577512118 365975715 /nfs/dbraw/zinc/97/57/15/365975715.db2.gz KBXYRJRYDZDELG-JQWIXIFHSA-N 2 0 227.352 0.749 20 0 BCADRP C[C@H]1CN(C)CC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251863127 362969274 /nfs/dbraw/zinc/96/92/74/362969274.db2.gz SRCRPHLQRLQJJG-NWDGAFQWSA-N 2 0 211.353 0.622 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)[C@@H]1C[NH3+] ZINC000156916541 191116548 /nfs/dbraw/zinc/11/65/48/191116548.db2.gz FKUHLYBTPJLSGH-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000309452914 323410451 /nfs/dbraw/zinc/41/04/51/323410451.db2.gz MYYQJIYFBMGOKO-GUBZILKMSA-N 2 0 213.325 0.084 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000335040562 191118802 /nfs/dbraw/zinc/11/88/02/191118802.db2.gz XYUWOFJQELNSHA-NSHDSACASA-N 2 0 225.336 0.276 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000309517937 350693988 /nfs/dbraw/zinc/69/39/88/350693988.db2.gz ZFXBJSUTSICTDJ-ZJUUUORDSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](CC2(C[NH3+])CC2)CC1 ZINC000571208254 350869890 /nfs/dbraw/zinc/86/98/90/350869890.db2.gz MNTKWJUFEXPFHB-JTQLQIEISA-N 3 0 211.353 0.785 20 0 BCADRP CCN1CCC[C@@H]1C[NH2+][C@H]1CCCNC(=O)C1 ZINC000250454579 350881547 /nfs/dbraw/zinc/88/15/47/350881547.db2.gz ZYOGYOZZVDQBIJ-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000571402346 350974713 /nfs/dbraw/zinc/97/47/13/350974713.db2.gz LBPOEGULQAIQMJ-MNOVXSKESA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)([NH3+])CNCc1ccc(C[NH3+])cc1 ZINC000577610318 366017599 /nfs/dbraw/zinc/01/75/99/366017599.db2.gz CPMSRXGSGMQCQP-UHFFFAOYSA-N 2 0 207.321 0.972 20 0 BCADRP CCN(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(C)(C)O ZINC000382817950 351052732 /nfs/dbraw/zinc/05/27/32/351052732.db2.gz VJEFTHFKPKNGFD-GHMZBOCLSA-N 2 0 232.368 0.390 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]C/C=C\CO)CC1(C)C ZINC000623563999 362990851 /nfs/dbraw/zinc/99/08/51/362990851.db2.gz PDGFOWGAQAPFQA-WYGGZMRJSA-N 2 0 212.337 0.997 20 0 BCADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](O)C2)CC1(C)C ZINC000623575409 363004426 /nfs/dbraw/zinc/00/44/26/363004426.db2.gz ZFKRZOHUVZVMKH-GMTAPVOTSA-N 2 0 212.337 0.972 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000079520635 351071214 /nfs/dbraw/zinc/07/12/14/351071214.db2.gz ZVQJUSGUCPKEOZ-DGCLKSJQSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@@H+]1CCN(Cc2nccn2C)[C@@H](C)C1 ZINC000264308200 351232815 /nfs/dbraw/zinc/23/28/15/351232815.db2.gz ZEWSQZDDQJBMFR-NSHDSACASA-N 2 0 222.336 0.946 20 0 BCADRP C[NH2+]Cc1ccc(NC(=O)[C@@H](C)C[NH3+])cc1 ZINC000571803089 323483285 /nfs/dbraw/zinc/48/32/85/323483285.db2.gz RFEFURFDMHAIIA-VIFPVBQESA-N 2 0 221.304 0.939 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000137277881 351380928 /nfs/dbraw/zinc/38/09/28/351380928.db2.gz XMCIZIIUIIHYFE-QWRGUYRKSA-N 2 0 237.347 0.196 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CCC[C@@H](O)C1 ZINC000414671329 351578334 /nfs/dbraw/zinc/57/83/34/351578334.db2.gz NVNJQYVDDMUDDR-WDEREUQCSA-N 2 0 200.326 0.817 20 0 BCADRP COc1cccc([C@H]([NH3+])C(=O)NCCC[NH3+])c1 ZINC000637802006 351633883 /nfs/dbraw/zinc/63/38/83/351633883.db2.gz LQLZWSOFNFIBSA-NSHDSACASA-N 2 0 237.303 0.160 20 0 BCADRP COc1cccc([C@@H]([NH3+])C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000637802731 351634210 /nfs/dbraw/zinc/63/42/10/351634210.db2.gz UBJASDVWIODPJE-ZYHUDNBSSA-N 2 0 249.314 0.255 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000637800716 351636464 /nfs/dbraw/zinc/63/64/64/351636464.db2.gz HKYDTNMSKZUPAT-NSHDSACASA-N 2 0 237.347 0.812 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000637803259 351638832 /nfs/dbraw/zinc/63/88/32/351638832.db2.gz BPLDSSKEINGUEM-QWRGUYRKSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CCC1C[NH2+]C1 ZINC000637806269 351643165 /nfs/dbraw/zinc/64/31/65/351643165.db2.gz QRSMNHXDSNCSSI-PWSUYJOCSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+](C)CC1(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000637807502 351644308 /nfs/dbraw/zinc/64/43/08/351644308.db2.gz ZHRSBMOUEOEPFK-UHFFFAOYSA-N 2 0 239.363 0.444 20 0 BCADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH2+]CC1 ZINC000637810460 351651193 /nfs/dbraw/zinc/65/11/93/351651193.db2.gz GGSJIGOOWBLNLK-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N1CC[NH2+]C[C@H]1C ZINC000637817562 351662282 /nfs/dbraw/zinc/66/22/82/351662282.db2.gz VJKJDHBFHUPNAG-SECBINFHSA-N 2 0 237.303 0.481 20 0 BCADRP C[C@H](C(=O)NC[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000637817654 351662309 /nfs/dbraw/zinc/66/23/09/351662309.db2.gz YDBDQAMZUJLHCK-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC1CCC([NH3+])CC1 ZINC000637818069 351658430 /nfs/dbraw/zinc/65/84/30/351658430.db2.gz AGGXNSPHIOHVKG-IDKOKCKLSA-N 2 0 213.325 0.371 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000637814241 351659118 /nfs/dbraw/zinc/65/91/18/351659118.db2.gz JURXRYQRVOQZTC-ONGXEEELSA-N 2 0 223.320 0.150 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000637820472 351660605 /nfs/dbraw/zinc/66/06/05/351660605.db2.gz OERKTNADVBWJLP-MXWKQRLJSA-N 2 0 227.352 0.489 20 0 BCADRP C(CC1C[NH2+]C1)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000637794491 351620202 /nfs/dbraw/zinc/62/02/02/351620202.db2.gz IJBBSVWXTPUKBC-VIFPVBQESA-N 2 0 222.292 0.646 20 0 BCADRP C[N@H+](CC(=O)NC1CC[NH2+]CC1)CC(C)(C)C ZINC000637798116 351626572 /nfs/dbraw/zinc/62/65/72/351626572.db2.gz KSIVCKBJHFTMMJ-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000637798895 351628148 /nfs/dbraw/zinc/62/81/48/351628148.db2.gz ODXHRYNKEDJVDP-MNOVXSKESA-N 2 0 227.352 0.700 20 0 BCADRP C[C@H](C(=O)NCCCC[NH+](C)C)[NH+]1CC(C)C1 ZINC000577647391 366031429 /nfs/dbraw/zinc/03/14/29/366031429.db2.gz MMYDZLQUSLBSIT-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000637832112 351680906 /nfs/dbraw/zinc/68/09/06/351680906.db2.gz HSSNTJYDTHIWPF-CMPLNLGQSA-N 2 0 235.331 0.801 20 0 BCADRP C[NH+](C)CC1(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000637831730 351680962 /nfs/dbraw/zinc/68/09/62/351680962.db2.gz BWMNRGMGAGTYSP-LLVKDONJSA-N 2 0 239.363 0.444 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000637832720 351681967 /nfs/dbraw/zinc/68/19/67/351681967.db2.gz JZAAJTRNLSQUTL-KOLCDFICSA-N 2 0 223.320 0.150 20 0 BCADRP CCCN(C(=O)CCC1C[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000637832437 351682365 /nfs/dbraw/zinc/68/23/65/351682365.db2.gz ISVNACAVIPHYNL-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000637835140 351685732 /nfs/dbraw/zinc/68/57/32/351685732.db2.gz KSGHVEYCBVAQTF-ZJUUUORDSA-N 2 0 213.325 0.004 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC000637836173 351687074 /nfs/dbraw/zinc/68/70/74/351687074.db2.gz WJKBTVGGZJAGRN-LLVKDONJSA-N 2 0 239.363 0.396 20 0 BCADRP Cc1nc[nH]c1CC(=O)NC1(C[NH3+])CCCC1 ZINC000637838826 351688586 /nfs/dbraw/zinc/68/85/86/351688586.db2.gz BIDJKQNOHAUWJR-UHFFFAOYSA-N 2 0 236.319 0.648 20 0 BCADRP CC[C@@H](C(=O)NC1(C[NH3+])CCCC1)[NH+](C)C ZINC000637839313 351689774 /nfs/dbraw/zinc/68/97/74/351689774.db2.gz IUWWUEGKXFTCGT-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000637838633 351693850 /nfs/dbraw/zinc/69/38/50/351693850.db2.gz ACCWZECUGFIBTN-TUAOUCFPSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000637838632 351693868 /nfs/dbraw/zinc/69/38/68/351693868.db2.gz ACCWZECUGFIBTN-SRVKXCTJSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H](C)[NH2+]1 ZINC000637840611 351696034 /nfs/dbraw/zinc/69/60/34/351696034.db2.gz PMVJPALTVUUIQP-TUAOUCFPSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H](C)[NH2+]1 ZINC000637841553 351697671 /nfs/dbraw/zinc/69/76/71/351697671.db2.gz SXXSTAJWGXFSRI-GHMZBOCLSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)C1=CC[C@H]([NH3+])C1)C1CC1 ZINC000637841919 351698482 /nfs/dbraw/zinc/69/84/82/351698482.db2.gz MUVREKQVKKOZOJ-JQWIXIFHSA-N 2 0 223.320 0.278 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000637842354 351698802 /nfs/dbraw/zinc/69/88/02/351698802.db2.gz QPHMLZULCGAKQZ-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000637851075 351708115 /nfs/dbraw/zinc/70/81/15/351708115.db2.gz YFLUVIBENVVUOF-RKDXNWHRSA-N 2 0 201.314 0.084 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC000637844668 351699616 /nfs/dbraw/zinc/69/96/16/351699616.db2.gz QYEGIWAJAHWDEK-SECBINFHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)[NH+](C)C ZINC000637844118 351700201 /nfs/dbraw/zinc/70/02/01/351700201.db2.gz DRPLCJWEYHXCEW-AEJSXWLSSA-N 2 0 213.325 0.132 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N(C)[C@@H](C)C[NH3+] ZINC000637843145 351701747 /nfs/dbraw/zinc/70/17/47/351701747.db2.gz WLNPDCDXGZYDMR-VHSXEESVSA-N 2 0 215.341 0.556 20 0 BCADRP COC[C@H](C)C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000577708940 366040932 /nfs/dbraw/zinc/04/09/32/366040932.db2.gz KRZAVZZGXQIVCQ-OUAUKWLOSA-N 2 0 200.326 0.999 20 0 BCADRP COC[C@H](C)C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000577708938 366040943 /nfs/dbraw/zinc/04/09/43/366040943.db2.gz KRZAVZZGXQIVCQ-GMTAPVOTSA-N 2 0 200.326 0.999 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000637847746 351703736 /nfs/dbraw/zinc/70/37/36/351703736.db2.gz CLAKEUVVXSGXPF-GHMZBOCLSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000637846694 351704576 /nfs/dbraw/zinc/70/45/76/351704576.db2.gz YLTMCRAVFFUFIO-FBIMIBRVSA-N 2 0 223.320 0.230 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000637847430 351705168 /nfs/dbraw/zinc/70/51/68/351705168.db2.gz ABHJHEOLODYORG-ZYHUDNBSSA-N 2 0 229.368 0.864 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637847009 351705387 /nfs/dbraw/zinc/70/53/87/351705387.db2.gz KRWRSWAGFXOGQJ-NXEZZACHSA-N 2 0 211.309 0.133 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000577720085 366042414 /nfs/dbraw/zinc/04/24/14/366042414.db2.gz XVIIIANAQISBSX-ZRUFSTJUSA-N 2 0 227.352 0.556 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]([NH3+])c1cccc(OC)c1 ZINC000637825292 351665892 /nfs/dbraw/zinc/66/58/92/351665892.db2.gz YNEQEKKKYKMQQY-NSHDSACASA-N 2 0 237.303 0.031 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000637825343 351665978 /nfs/dbraw/zinc/66/59/78/351665978.db2.gz VCINUKGHCANGBA-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH3+])CC[N@@H+]1C ZINC000637823011 351667480 /nfs/dbraw/zinc/66/74/80/351667480.db2.gz CNPZUMMTGZSIOG-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000637828104 351671447 /nfs/dbraw/zinc/67/14/47/351671447.db2.gz BNPFYHGRSPBLER-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000637825767 351671734 /nfs/dbraw/zinc/67/17/34/351671734.db2.gz YFSGJOMZPADMTA-NXEZZACHSA-N 2 0 213.325 0.147 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000637858819 351720376 /nfs/dbraw/zinc/72/03/76/351720376.db2.gz OUKDCIKLDGXQNF-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@@H](C)[NH2+]CC)CC1 ZINC000637860585 351722189 /nfs/dbraw/zinc/72/21/89/351722189.db2.gz BDDQOIMKSIGFHS-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)CCC1C[NH2+]C1 ZINC000637865536 351725559 /nfs/dbraw/zinc/72/55/59/351725559.db2.gz BJAAFOGHGLMHJD-LLVKDONJSA-N 2 0 227.352 0.620 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000637865932 351725697 /nfs/dbraw/zinc/72/56/97/351725697.db2.gz GMNGBNPVACGYNH-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CCC1C[NH2+]C1 ZINC000637864491 351725941 /nfs/dbraw/zinc/72/59/41/351725941.db2.gz NOZZJUIYMRHQEG-GFCCVEGCSA-N 2 0 241.379 0.818 20 0 BCADRP Cc1ncc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(=O)[nH]1 ZINC000577768878 366059743 /nfs/dbraw/zinc/05/97/43/366059743.db2.gz VBDPVFVAFNECAB-MNOVXSKESA-N 2 0 236.319 0.850 20 0 BCADRP CC[C@@H](C(=O)N[C@@H](C[NH3+])C1CC1)[NH+](C)C ZINC000637854130 351712935 /nfs/dbraw/zinc/71/29/35/351712935.db2.gz DKOBTHMEOADOKD-UWVGGRQHSA-N 2 0 213.325 0.180 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000637854715 351714049 /nfs/dbraw/zinc/71/40/49/351714049.db2.gz DOFNSNKEPHFPAN-ONGXEEELSA-N 2 0 225.336 0.182 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000637854712 351714146 /nfs/dbraw/zinc/71/41/46/351714146.db2.gz DOFNSNKEPHFPAN-GXSJLCMTSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000638075831 351947776 /nfs/dbraw/zinc/94/77/76/351947776.db2.gz UOEQKKPVFLSZNK-FRRDWIJNSA-N 2 0 249.358 0.777 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638049407 351927177 /nfs/dbraw/zinc/92/71/77/351927177.db2.gz FAUBBROAJDDWRZ-JTQLQIEISA-N 2 0 225.336 0.490 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638075595 351947997 /nfs/dbraw/zinc/94/79/97/351947997.db2.gz FUGQJVIWTQUOCB-CMPLNLGQSA-N 2 0 239.363 0.880 20 0 BCADRP O=C(CCC1C[NH2+]C1)NCC[NH+]1CCCC1 ZINC000638055206 351930004 /nfs/dbraw/zinc/93/00/04/351930004.db2.gz GTCSROIXPNVLOS-UHFFFAOYSA-N 2 0 225.336 0.198 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@H](C)[NH2+]CC)CC1 ZINC000638054807 351930454 /nfs/dbraw/zinc/93/04/54/351930454.db2.gz FRDOIOFMWVGJED-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638075603 351948034 /nfs/dbraw/zinc/94/80/34/351948034.db2.gz FUGQJVIWTQUOCB-ZYHUDNBSSA-N 2 0 239.363 0.880 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)NCCC[NH+]2CCCC2)C1 ZINC000638053002 351931095 /nfs/dbraw/zinc/93/10/95/351931095.db2.gz DSMULJQNUFCFQC-LBPRGKRZSA-N 2 0 237.347 0.636 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)NCCC[NH+]2CCCC2)C1 ZINC000638053001 351931307 /nfs/dbraw/zinc/93/13/07/351931307.db2.gz DSMULJQNUFCFQC-GFCCVEGCSA-N 2 0 237.347 0.636 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000638058404 351932727 /nfs/dbraw/zinc/93/27/27/351932727.db2.gz QDRUILNCQVMPOC-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000638060391 351933087 /nfs/dbraw/zinc/93/30/87/351933087.db2.gz USARXAOVQUNSFO-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000638069354 351941782 /nfs/dbraw/zinc/94/17/82/351941782.db2.gz JMNCTBKFKPFMIA-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638071698 351943458 /nfs/dbraw/zinc/94/34/58/351943458.db2.gz HTVHHMDSRPWUSN-KOLCDFICSA-N 2 0 223.320 0.102 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638071699 351943830 /nfs/dbraw/zinc/94/38/30/351943830.db2.gz HTVHHMDSRPWUSN-MWLCHTKSSA-N 2 0 223.320 0.102 20 0 BCADRP CC1(C)CNC(=O)CN1CCCn1ccnc1 ZINC000282825951 351945873 /nfs/dbraw/zinc/94/58/73/351945873.db2.gz SBIIPXPHSNZUAO-UHFFFAOYSA-N 2 0 236.319 0.484 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000638073909 351946060 /nfs/dbraw/zinc/94/60/60/351946060.db2.gz HIKWMIGDLJYUSF-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000638148779 352010325 /nfs/dbraw/zinc/01/03/25/352010325.db2.gz OSJFNLZLGAHCKZ-AEJSXWLSSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)[NH+](C)C ZINC000638080822 351953452 /nfs/dbraw/zinc/95/34/52/351953452.db2.gz REACOOKYXCZGCQ-PSASIEDQSA-N 2 0 211.309 0.100 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000638150061 352011125 /nfs/dbraw/zinc/01/11/25/352011125.db2.gz VHXQCAUXYQDIDD-UTUOFQBUSA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NCC1C[NH2+]C1 ZINC000638150417 352011163 /nfs/dbraw/zinc/01/11/63/352011163.db2.gz NNRHDDNDDNWVLK-JTQLQIEISA-N 2 0 213.325 0.086 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000638090888 351968487 /nfs/dbraw/zinc/96/84/87/351968487.db2.gz INFANLWUBNSMLS-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000638098346 351978255 /nfs/dbraw/zinc/97/82/55/351978255.db2.gz BUIXWNYACCSGJX-GXSJLCMTSA-N 2 0 225.336 0.324 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000638100251 351980994 /nfs/dbraw/zinc/98/09/94/351980994.db2.gz LNQBVLCPCHTVNF-PWSUYJOCSA-N 2 0 239.363 0.680 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)C=Cc2c[nH]cn2)CC1 ZINC000283882178 351985353 /nfs/dbraw/zinc/98/53/53/351985353.db2.gz IKJTVRPDGZSDFK-SNAWJCMRSA-N 2 0 248.330 0.977 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638149972 352013507 /nfs/dbraw/zinc/01/35/07/352013507.db2.gz UUOAKYHSCWBURN-FXPVBKGRSA-N 2 0 223.320 0.230 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC[N@H+](C)CCCOC ZINC000638121061 351995111 /nfs/dbraw/zinc/99/51/11/351995111.db2.gz DFJGOUWIZDLXQM-LLVKDONJSA-N 2 0 245.367 0.069 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000638126914 351998108 /nfs/dbraw/zinc/99/81/08/351998108.db2.gz RNLCDWRRNNYSAO-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638126999 351998317 /nfs/dbraw/zinc/99/83/17/351998317.db2.gz FBPYTNVDUFQREG-LBPRGKRZSA-N 2 0 239.363 0.882 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)CCC2C[NH2+]C2)C1 ZINC000638126489 351998325 /nfs/dbraw/zinc/99/83/25/351998325.db2.gz NFSWBAJVQMMUBZ-LLVKDONJSA-N 2 0 239.363 0.444 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000638138572 352003449 /nfs/dbraw/zinc/00/34/49/352003449.db2.gz HUXUXCNNQQKIIQ-MWLCHTKSSA-N 2 0 225.336 0.337 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH3+] ZINC000638140368 352003550 /nfs/dbraw/zinc/00/35/50/352003550.db2.gz AIOVEIDEVUMMIS-NXEZZACHSA-N 2 0 215.341 0.461 20 0 BCADRP C[C@H](C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000638141458 352005166 /nfs/dbraw/zinc/00/51/66/352005166.db2.gz KITIJDQKFAHGAB-MWLCHTKSSA-N 2 0 225.336 0.289 20 0 BCADRP C[C@H](C(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000638141457 352005276 /nfs/dbraw/zinc/00/52/76/352005276.db2.gz KITIJDQKFAHGAB-KOLCDFICSA-N 2 0 225.336 0.289 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]([NH3+])CCC(C)C ZINC000638212475 352074487 /nfs/dbraw/zinc/07/44/87/352074487.db2.gz JBSLXOLTCUZTSO-GHMZBOCLSA-N 2 0 229.368 0.864 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638176840 352043079 /nfs/dbraw/zinc/04/30/79/352043079.db2.gz GIHAZFCKDOPUFG-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+](C)C ZINC000638177074 352043183 /nfs/dbraw/zinc/04/31/83/352043183.db2.gz HRRRVSVAOMPLLJ-BBBLOLIVSA-N 2 0 213.325 0.051 20 0 BCADRP O=c1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c[nH]1 ZINC000638186392 352050231 /nfs/dbraw/zinc/05/02/31/352050231.db2.gz SMNREPUSBYVDQI-PHIMTYICSA-N 2 0 219.288 0.438 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000638195807 352058796 /nfs/dbraw/zinc/05/87/96/352058796.db2.gz KLUJLWLMUAMCNT-VIFPVBQESA-N 2 0 233.315 0.643 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000638200539 352061257 /nfs/dbraw/zinc/06/12/57/352061257.db2.gz RDTJTLJIZMDPGV-OPRDCNLKSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H]1C ZINC000638202892 352064156 /nfs/dbraw/zinc/06/41/56/352064156.db2.gz BRTNAXGUJXZYSD-UTUOFQBUSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC000638203581 352065084 /nfs/dbraw/zinc/06/50/84/352065084.db2.gz GDIFDMNWSQRAFY-MNOVXSKESA-N 2 0 239.363 0.537 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000638201941 352066717 /nfs/dbraw/zinc/06/67/17/352066717.db2.gz NOLLYNXXVTXHSW-AEJSXWLSSA-N 2 0 213.325 0.099 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000638205173 352067543 /nfs/dbraw/zinc/06/75/43/352067543.db2.gz GRZJCIRJBKMZQL-BBBLOLIVSA-N 2 0 213.325 0.193 20 0 BCADRP CC[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000638206181 352068492 /nfs/dbraw/zinc/06/84/92/352068492.db2.gz JYWDLUZPZNVTJK-ADEWGFFLSA-N 2 0 237.347 0.620 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)CCC1C[NH2+]C1 ZINC000638214356 352076220 /nfs/dbraw/zinc/07/62/20/352076220.db2.gz ZSRQVDWFEYJLTG-SECBINFHSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000638209436 352072141 /nfs/dbraw/zinc/07/21/41/352072141.db2.gz KJIXUAUXQBETAB-DVVUODLYSA-N 2 0 223.320 0.291 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000638209614 352072431 /nfs/dbraw/zinc/07/24/31/352072431.db2.gz FAJWCQKTFYAXFR-BBBLOLIVSA-N 2 0 213.325 0.193 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000638155846 352019217 /nfs/dbraw/zinc/01/92/17/352019217.db2.gz WFFJXLXNZWXLTK-QWRGUYRKSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC000638159290 352022991 /nfs/dbraw/zinc/02/29/91/352022991.db2.gz WTASPJRGCMIFMV-GHMZBOCLSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)[C@H](C)C[NH2+]1 ZINC000638159507 352023911 /nfs/dbraw/zinc/02/39/11/352023911.db2.gz XPZUAEXRMJUUNS-FXPVBKGRSA-N 2 0 223.320 0.243 20 0 BCADRP C[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)[C@@H](C)C[NH2+]1 ZINC000638159512 352024030 /nfs/dbraw/zinc/02/40/30/352024030.db2.gz XPZUAEXRMJUUNS-YWVKMMECSA-N 2 0 223.320 0.243 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)[NH2+]CC ZINC000638159958 352024062 /nfs/dbraw/zinc/02/40/62/352024062.db2.gz UCNFWQJSWVTUBN-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000638158029 352025370 /nfs/dbraw/zinc/02/53/70/352025370.db2.gz NYHPJJBRTAPWEH-UTUOFQBUSA-N 2 0 241.379 0.959 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000638162059 352026411 /nfs/dbraw/zinc/02/64/11/352026411.db2.gz LGMSGKFSJZNTRG-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000638165841 352030484 /nfs/dbraw/zinc/03/04/84/352030484.db2.gz SKGLUJCOYBFLBO-RNJOBUHISA-N 2 0 249.358 0.620 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000638167636 352035400 /nfs/dbraw/zinc/03/54/00/352035400.db2.gz GDSAOEGNPTUEAE-YPMHNXCESA-N 2 0 235.331 0.246 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000638173014 352040348 /nfs/dbraw/zinc/04/03/48/352040348.db2.gz ZAFOGMWEFPVFFC-PWSUYJOCSA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2=CC[NH2+]CC2)C1 ZINC000638175800 352041120 /nfs/dbraw/zinc/04/11/20/352041120.db2.gz NBGKGEVLKJRDKG-LBPRGKRZSA-N 2 0 237.347 0.364 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000638287579 352123632 /nfs/dbraw/zinc/12/36/32/352123632.db2.gz WHRFVPWWEVHBOU-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000638287974 352124617 /nfs/dbraw/zinc/12/46/17/352124617.db2.gz YOFFKZQAVDHQRA-IJLUTSLNSA-N 2 0 241.379 0.783 20 0 BCADRP CCOC(=O)[C@@H](C)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405225909 352129101 /nfs/dbraw/zinc/12/91/01/352129101.db2.gz SQDMKHKPXNPWRT-GMTAPVOTSA-N 2 0 244.335 0.234 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[NH2+]1 ZINC000638211134 352077074 /nfs/dbraw/zinc/07/70/74/352077074.db2.gz PNZTUGSFUTXUEI-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+](C)CC1(C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000638221561 352080813 /nfs/dbraw/zinc/08/08/13/352080813.db2.gz XPKYVYWHGNBWTR-GFCCVEGCSA-N 2 0 239.363 0.526 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)NCC[NH+](C)C ZINC000638227451 352082636 /nfs/dbraw/zinc/08/26/36/352082636.db2.gz RRCXNVQZFQDAGO-UHFFFAOYSA-N 2 0 225.292 0.338 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000638233583 352084911 /nfs/dbraw/zinc/08/49/11/352084911.db2.gz WFRFNCPVNUTTKI-GWOFURMSSA-N 2 0 227.352 0.487 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C)[NH+](C)C ZINC000638229181 352085291 /nfs/dbraw/zinc/08/52/91/352085291.db2.gz DHNCTXAJYXSUFH-DDHJBXDOSA-N 2 0 241.379 0.829 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000638233758 352085908 /nfs/dbraw/zinc/08/59/08/352085908.db2.gz KANQJFHTVMNZAN-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000638235956 352087112 /nfs/dbraw/zinc/08/71/12/352087112.db2.gz SPBSVCACAGOGIE-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638237531 352088062 /nfs/dbraw/zinc/08/80/62/352088062.db2.gz TYOBLXIPUIEHTN-DCAQKATOSA-N 2 0 225.336 0.419 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000638243401 352089728 /nfs/dbraw/zinc/08/97/28/352089728.db2.gz OMXZVBCGPIBZCX-NXEZZACHSA-N 2 0 215.341 0.618 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000638246684 352093333 /nfs/dbraw/zinc/09/33/33/352093333.db2.gz DCIOSQMSNXEZLB-DCAQKATOSA-N 2 0 243.326 0.287 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000638246840 352093366 /nfs/dbraw/zinc/09/33/66/352093366.db2.gz FTZFGQYZXLIXNL-DCAQKATOSA-N 2 0 243.326 0.144 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[NH+](C)C ZINC000638249466 352095077 /nfs/dbraw/zinc/09/50/77/352095077.db2.gz SNBLSBUZAOIQGM-UTUOFQBUSA-N 2 0 239.363 0.395 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000638249057 352095529 /nfs/dbraw/zinc/09/55/29/352095529.db2.gz XUBCUPBNVZFCLE-GFCCVEGCSA-N 2 0 249.358 0.636 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000638253983 352096925 /nfs/dbraw/zinc/09/69/25/352096925.db2.gz DWJBLSCTOLRTJL-SFYZADRCSA-N 2 0 225.292 0.512 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H](C)CCC[NH3+] ZINC000638251715 352099399 /nfs/dbraw/zinc/09/93/99/352099399.db2.gz JUOLJBUZLNKIDK-BDAKNGLRSA-N 2 0 201.314 0.228 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000638257189 352100475 /nfs/dbraw/zinc/10/04/75/352100475.db2.gz XDKPOQSCWYTWAU-RQJHMYQMSA-N 2 0 223.267 0.083 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000638257186 352100690 /nfs/dbraw/zinc/10/06/90/352100690.db2.gz XDKPOQSCWYTWAU-BQBZGAKWSA-N 2 0 223.267 0.083 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC000638258039 352101362 /nfs/dbraw/zinc/10/13/62/352101362.db2.gz XMSHSGYWJTUGOV-IUCAKERBSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)[C@H](C)[NH3+] ZINC000638256105 352102924 /nfs/dbraw/zinc/10/29/24/352102924.db2.gz NPUDMDVBJXEVAU-IVZWLZJFSA-N 2 0 213.325 0.180 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000638261435 352103742 /nfs/dbraw/zinc/10/37/42/352103742.db2.gz GJWYNQWAPOZSGW-QWRGUYRKSA-N 2 0 227.352 0.633 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[NH2+]CC1(C)C)[NH+](C)C ZINC000638264254 352104958 /nfs/dbraw/zinc/10/49/58/352104958.db2.gz FRLLHLJSTLRGRC-NXEZZACHSA-N 2 0 227.352 0.441 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000638263321 352105461 /nfs/dbraw/zinc/10/54/61/352105461.db2.gz WUHBTCCHLIYSGN-NEPJUHHUSA-N 2 0 237.347 0.682 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638263507 352105590 /nfs/dbraw/zinc/10/55/90/352105590.db2.gz RXVUFSXXSWYDAK-MNOVXSKESA-N 2 0 237.347 0.538 20 0 BCADRP CCC[N@@H+]1CCCN(C(=O)CC[NH3+])CC1 ZINC000083961267 352106579 /nfs/dbraw/zinc/10/65/79/352106579.db2.gz NQHWBOJQHSSCRG-UHFFFAOYSA-N 2 0 213.325 0.280 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CC[NH2+]C1(C)C)[NH+](C)C ZINC000638268281 352108107 /nfs/dbraw/zinc/10/81/07/352108107.db2.gz XRHPVUHNPZKFGN-ZJUUUORDSA-N 2 0 227.352 0.583 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[C@H](C[NH3+])C1)[NH+](C)C ZINC000638270515 352108165 /nfs/dbraw/zinc/10/81/65/352108165.db2.gz YOOKYUPYXYVKAO-UTLUCORTSA-N 2 0 213.325 0.180 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000638271314 352109232 /nfs/dbraw/zinc/10/92/32/352109232.db2.gz VLVJQNYALNEAQP-IUCAKERBSA-N 2 0 213.325 0.241 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638276217 352112915 /nfs/dbraw/zinc/11/29/15/352112915.db2.gz RPEAPLIEWRWZQF-NEPJUHHUSA-N 2 0 237.347 0.587 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000638276866 352113891 /nfs/dbraw/zinc/11/38/91/352113891.db2.gz QDNKSIPUGPXSCW-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CCN1CCC[C@@H]1C[NH2+]C[C@]1(OC)CCOC1 ZINC000638281666 352116555 /nfs/dbraw/zinc/11/65/55/352116555.db2.gz VIBSLEHUGDVHQT-CHWSQXEVSA-N 2 0 242.363 0.866 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000638332132 352153911 /nfs/dbraw/zinc/15/39/11/352153911.db2.gz OCGFEFDINMKRLT-WCBMZHEXSA-N 2 0 213.325 0.180 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC(CC[NH3+])CC1 ZINC000638391835 352197047 /nfs/dbraw/zinc/19/70/47/352197047.db2.gz BUOOUAUTEOYDMR-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000638336308 352154960 /nfs/dbraw/zinc/15/49/60/352154960.db2.gz SBEFOKATRDSJBT-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]CC1(CCNC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638387599 352197294 /nfs/dbraw/zinc/19/72/94/352197294.db2.gz GRZUFYRZQYUOSV-SNVBAGLBSA-N 2 0 223.320 0.279 20 0 BCADRP C[C@H](C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)[NH+](C)C ZINC000638340608 352160332 /nfs/dbraw/zinc/16/03/32/352160332.db2.gz IBIIWYJSUCSDGQ-AXFHLTTASA-N 2 0 227.352 0.380 20 0 BCADRP CN(CC[NH3+])C(=O)C[N@H+](C)CCc1ccccc1 ZINC000638341224 352160714 /nfs/dbraw/zinc/16/07/14/352160714.db2.gz VQPXKNQSDTXNFV-UHFFFAOYSA-N 2 0 249.358 0.578 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH3+])CC[N@@H+]1C ZINC000638344510 352163798 /nfs/dbraw/zinc/16/37/98/352163798.db2.gz UNLZPPBLPXICPR-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638344527 352163819 /nfs/dbraw/zinc/16/38/19/352163819.db2.gz ROQOOJMHWPOVIW-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000638358165 352170326 /nfs/dbraw/zinc/17/03/26/352170326.db2.gz TZEHVUXOTJJGAB-JTQLQIEISA-N 2 0 225.336 0.339 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000638366269 352178069 /nfs/dbraw/zinc/17/80/69/352178069.db2.gz MLBGGPJIGYSSDT-NWDGAFQWSA-N 2 0 249.358 0.825 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)[NH+](C)C ZINC000638368077 352179475 /nfs/dbraw/zinc/17/94/75/352179475.db2.gz HWOLMOAKCZJZMO-MNOVXSKESA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)[NH+](C)C ZINC000638368076 352179552 /nfs/dbraw/zinc/17/95/52/352179552.db2.gz HWOLMOAKCZJZMO-GHMZBOCLSA-N 2 0 239.363 0.727 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000638370728 352180820 /nfs/dbraw/zinc/18/08/20/352180820.db2.gz NCAWEVNXYPOQII-DJLDLDEBSA-N 2 0 201.314 0.226 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000638370729 352180896 /nfs/dbraw/zinc/18/08/96/352180896.db2.gz NCAWEVNXYPOQII-HRDYMLBCSA-N 2 0 201.314 0.226 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC000638369104 352181631 /nfs/dbraw/zinc/18/16/31/352181631.db2.gz PCVPKESTRKAWGS-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H](C(=O)N[C@H](C)C[C@H](C)[NH3+])[NH+](C)C ZINC000638369334 352182205 /nfs/dbraw/zinc/18/22/05/352182205.db2.gz GEDAZVMVLUEZME-IVZWLZJFSA-N 2 0 215.341 0.569 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCCC[NH2+]C1CC1 ZINC000638374656 352187095 /nfs/dbraw/zinc/18/70/95/352187095.db2.gz PDVGWQVPIHXIGU-VIFPVBQESA-N 2 0 213.325 0.243 20 0 BCADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@]2(OC)CCOC2)C1 ZINC000638381362 352193057 /nfs/dbraw/zinc/19/30/57/352193057.db2.gz KWPVDBAMIUAMSU-STQMWFEESA-N 2 0 242.363 0.723 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000638382066 352193971 /nfs/dbraw/zinc/19/39/71/352193971.db2.gz RXCYBWUNBLATHU-ZBOXLXRLSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NCCC1(C[NH3+])CC1 ZINC000638386627 352195292 /nfs/dbraw/zinc/19/52/92/352195292.db2.gz RRITXULYXAJMTD-NSHDSACASA-N 2 0 241.379 0.995 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000638312238 352138075 /nfs/dbraw/zinc/13/80/75/352138075.db2.gz FCRDSNJQNUMJJV-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP CN(C(=O)CCC1C[NH2+]C1)[C@H](C[NH3+])C1CC1 ZINC000638328392 352145943 /nfs/dbraw/zinc/14/59/43/352145943.db2.gz IBOGKUNVZJUYLV-LLVKDONJSA-N 2 0 225.336 0.182 20 0 BCADRP CN(C(=O)CCC1C[NH2+]C1)[C@@H](C[NH3+])C1CC1 ZINC000638328393 352146111 /nfs/dbraw/zinc/14/61/11/352146111.db2.gz IBOGKUNVZJUYLV-NSHDSACASA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)C1CCCC1 ZINC000638326825 352146812 /nfs/dbraw/zinc/14/68/12/352146812.db2.gz QHJVYLQRVVXQQX-NEPJUHHUSA-N 2 0 237.347 0.668 20 0 BCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1[NH3+] ZINC000638330823 352149168 /nfs/dbraw/zinc/14/91/68/352149168.db2.gz HXTBLUDBMPVIGJ-GHMZBOCLSA-N 2 0 241.379 0.770 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]([NH3+])CCC(C)C ZINC000638433088 352242088 /nfs/dbraw/zinc/24/20/88/352242088.db2.gz VZPXFQYZMODCPQ-ZJUUUORDSA-N 2 0 215.341 0.474 20 0 BCADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]C)[NH+](C)C ZINC000638429783 352238036 /nfs/dbraw/zinc/23/80/36/352238036.db2.gz AEGZERPQHNKAOH-BDAKNGLRSA-N 2 0 201.314 0.051 20 0 BCADRP C[NH+](C)CC1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000638430717 352238604 /nfs/dbraw/zinc/23/86/04/352238604.db2.gz HGEDXGRJTFHBPM-NXEZZACHSA-N 2 0 243.326 0.226 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000638399539 352204215 /nfs/dbraw/zinc/20/42/15/352204215.db2.gz ITFKJRIRYUYEON-SDDRHHMPSA-N 2 0 239.363 0.857 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C)[NH+](C)C ZINC000638399063 352205736 /nfs/dbraw/zinc/20/57/36/352205736.db2.gz YBQQFRCKEWORJP-HBNTYKKESA-N 2 0 227.352 0.665 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C1(C[NH+](C)C)CC1 ZINC000638402914 352209039 /nfs/dbraw/zinc/20/90/39/352209039.db2.gz FOCYUUQHZRXDRY-UHFFFAOYSA-N 2 0 227.352 0.524 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000638408927 352218718 /nfs/dbraw/zinc/21/87/18/352218718.db2.gz LXMOFZPPZCXKCE-UWVGGRQHSA-N 2 0 215.341 0.441 20 0 BCADRP O[C@H](C[NH2+]CCC[C@H]1CCO1)C[NH+]1CCCC1 ZINC000638412331 352219305 /nfs/dbraw/zinc/21/93/05/352219305.db2.gz OBZWUSBXIFTTAT-OLZOCXBDSA-N 2 0 242.363 0.602 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)NCC2([NH3+])CCCC2)C1 ZINC000638410456 352219495 /nfs/dbraw/zinc/21/94/95/352219495.db2.gz BVWKUTJUTITEBU-SNVBAGLBSA-N 2 0 223.320 0.422 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638433170 352242004 /nfs/dbraw/zinc/24/20/04/352242004.db2.gz QYPUZAGVHQROBH-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000638438779 352245079 /nfs/dbraw/zinc/24/50/79/352245079.db2.gz CNLLQYNUBLSBCK-ZYHUDNBSSA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000638438774 352245353 /nfs/dbraw/zinc/24/53/53/352245353.db2.gz CNLLQYNUBLSBCK-CMPLNLGQSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)CCC1C[NH2+]C1)C2 ZINC000638441393 352247599 /nfs/dbraw/zinc/24/75/99/352247599.db2.gz GRIBMFCJFKPAMA-YPMHNXCESA-N 2 0 237.347 0.326 20 0 BCADRP C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC[NH2+]C1 ZINC000638439386 352249220 /nfs/dbraw/zinc/24/92/20/352249220.db2.gz HPWSYRVUXJETDJ-KBVBSXBZSA-N 2 0 234.303 0.381 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C23CCC3)o1 ZINC000638498213 352315097 /nfs/dbraw/zinc/31/50/97/352315097.db2.gz KIFOPSWBHYUAAL-LLVKDONJSA-N 2 0 249.314 0.753 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638497797 352317556 /nfs/dbraw/zinc/31/75/56/352317556.db2.gz HVJCESJEQRVWGV-QWRGUYRKSA-N 2 0 239.363 0.761 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638497943 352317685 /nfs/dbraw/zinc/31/76/85/352317685.db2.gz IYAHEWPQANQFSS-JTQLQIEISA-N 2 0 239.363 0.905 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638498067 352318342 /nfs/dbraw/zinc/31/83/42/352318342.db2.gz JPHINHIAINPQCQ-SNVBAGLBSA-N 2 0 225.336 0.387 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638499595 352319148 /nfs/dbraw/zinc/31/91/48/352319148.db2.gz QWTZRBVLKHUZAL-ZYHUDNBSSA-N 2 0 239.363 0.905 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638499903 352319308 /nfs/dbraw/zinc/31/93/08/352319308.db2.gz SOECOYSSVYOIAQ-NXEZZACHSA-N 2 0 239.363 0.761 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638499278 352319316 /nfs/dbraw/zinc/31/93/16/352319316.db2.gz OJKORVMSHRGZKJ-GHMZBOCLSA-N 2 0 237.347 0.529 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638483721 352293045 /nfs/dbraw/zinc/29/30/45/352293045.db2.gz LMYYKSRYKIVPQB-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638499284 352319553 /nfs/dbraw/zinc/31/95/53/352319553.db2.gz OJKORVMSHRGZKJ-WDEREUQCSA-N 2 0 237.347 0.529 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638484999 352294747 /nfs/dbraw/zinc/29/47/47/352294747.db2.gz VZISAWCUYOZCAJ-WDEREUQCSA-N 2 0 227.352 0.298 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000638499636 352319572 /nfs/dbraw/zinc/31/95/72/352319572.db2.gz RMXIJQXIVCAJAG-GHMZBOCLSA-N 2 0 237.347 0.387 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000638490168 352299350 /nfs/dbraw/zinc/29/93/50/352299350.db2.gz UNQBQQHEYYBYRR-QWRGUYRKSA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000638489547 352300557 /nfs/dbraw/zinc/30/05/57/352300557.db2.gz NVYSGEOTORFGTI-NWDGAFQWSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000638489778 352301534 /nfs/dbraw/zinc/30/15/34/352301534.db2.gz QDYZNSVYCNWYMO-AXFHLTTASA-N 2 0 227.352 0.426 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[NH2+]1 ZINC000638500734 352321072 /nfs/dbraw/zinc/32/10/72/352321072.db2.gz WSTRYYWPJYTTLH-UWVGGRQHSA-N 2 0 223.320 0.139 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000638510717 352334871 /nfs/dbraw/zinc/33/48/71/352334871.db2.gz FANPTNDVOVVSPC-QWRGUYRKSA-N 2 0 235.331 0.435 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638511117 352335509 /nfs/dbraw/zinc/33/55/09/352335509.db2.gz ZOJDKZWMPMWJIG-UWVGGRQHSA-N 2 0 237.347 0.385 20 0 BCADRP CCN(CC[NH3+])C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000638512220 352336463 /nfs/dbraw/zinc/33/64/63/352336463.db2.gz FYWQGNNUSISPEN-NSHDSACASA-N 2 0 227.352 0.573 20 0 BCADRP CC[C@@H](C(=O)N[C@@H]1CC[NH2+]C12CCC2)[NH+](C)C ZINC000638511905 352336508 /nfs/dbraw/zinc/33/65/08/352336508.db2.gz HRBWKGYWLFKWKU-WDEREUQCSA-N 2 0 239.363 0.727 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N(CC)CC[NH3+] ZINC000638522486 352355731 /nfs/dbraw/zinc/35/57/31/352355731.db2.gz HURBUBVGHMUKMQ-SNVBAGLBSA-N 2 0 201.314 0.311 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000638516028 352342800 /nfs/dbraw/zinc/34/28/00/352342800.db2.gz KMAFYONUYPUITC-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000638516226 352343579 /nfs/dbraw/zinc/34/35/79/352343579.db2.gz OTIVBOMBNGCMLQ-ZYHUDNBSSA-N 2 0 225.336 0.183 20 0 BCADRP CCN(CC[NH3+])C(=O)COC1CCC([NH3+])CC1 ZINC000638516694 352345656 /nfs/dbraw/zinc/34/56/56/352345656.db2.gz GUQBTWHQGPVSDY-UHFFFAOYSA-N 2 0 243.351 0.080 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000638516927 352346066 /nfs/dbraw/zinc/34/60/66/352346066.db2.gz JUJNLLKKLNPBCJ-LLVKDONJSA-N 2 0 213.325 0.183 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000638517429 352348016 /nfs/dbraw/zinc/34/80/16/352348016.db2.gz UYGAJGPSFJHPGJ-JTQLQIEISA-N 2 0 225.336 0.183 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000638528629 352362238 /nfs/dbraw/zinc/36/22/38/352362238.db2.gz MIXXRJFRFQAWAM-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638528630 352362301 /nfs/dbraw/zinc/36/23/01/352362301.db2.gz MIXXRJFRFQAWAM-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000638535754 352367499 /nfs/dbraw/zinc/36/74/99/352367499.db2.gz DXIYGLWZSOITDZ-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH2+][C@H](C)C[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414952077 352371952 /nfs/dbraw/zinc/37/19/52/352371952.db2.gz HZSREWBUWFWHEI-TUAOUCFPSA-N 3 0 213.369 0.962 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000638572621 352401278 /nfs/dbraw/zinc/40/12/78/352401278.db2.gz RIEFFQVIQWTKHL-SDDRHHMPSA-N 2 0 239.363 0.775 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](C)[NH+](C)C ZINC000638572330 352400426 /nfs/dbraw/zinc/40/04/26/352400426.db2.gz JDMAOLGCBCBHIT-LPEHRKFASA-N 2 0 213.325 0.193 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CC[NH2+]C(C)C ZINC000638566602 352393382 /nfs/dbraw/zinc/39/33/82/352393382.db2.gz AJYQSUPTRWMGNB-WDEREUQCSA-N 2 0 227.352 0.631 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000638567269 352394711 /nfs/dbraw/zinc/39/47/11/352394711.db2.gz LLCWXKUMBLAIFZ-UMNHJUIQSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000638572677 352401497 /nfs/dbraw/zinc/40/14/97/352401497.db2.gz UCDKURMBFWNWED-QJPTWQEYSA-N 2 0 241.379 0.829 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CC[NH2+][C@H]1CC ZINC000638571870 352398283 /nfs/dbraw/zinc/39/82/83/352398283.db2.gz AVDNKQBHICPSLX-FIQHERPVSA-N 2 0 239.363 0.631 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[NH+](CC)CC ZINC000638572800 352401139 /nfs/dbraw/zinc/40/11/39/352401139.db2.gz YZBHUHHCFCPOIF-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000638522904 352357447 /nfs/dbraw/zinc/35/74/47/352357447.db2.gz TTZSPKQLLOADLY-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638652757 352493977 /nfs/dbraw/zinc/49/39/77/352493977.db2.gz UNGWCTWPWUYLBX-BBBLOLIVSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC[N@@H+]1C ZINC000638650803 352492793 /nfs/dbraw/zinc/49/27/93/352492793.db2.gz MTLQENQJZNUQAP-WISYIIOYSA-N 2 0 239.363 0.583 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638638488 352479983 /nfs/dbraw/zinc/47/99/83/352479983.db2.gz DLBMQEHBUOKSSA-OPRDCNLKSA-N 2 0 213.325 0.241 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638638485 352480205 /nfs/dbraw/zinc/48/02/05/352480205.db2.gz DLBMQEHBUOKSSA-BBBLOLIVSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C[NH2+]1 ZINC000638638190 352480232 /nfs/dbraw/zinc/48/02/32/352480232.db2.gz BHMKLDRZWGHJPP-FBIMIBRVSA-N 2 0 223.320 0.291 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[NH+](C)C ZINC000638639840 352481816 /nfs/dbraw/zinc/48/18/16/352481816.db2.gz NTSQFXLXRLEJMS-GMTAPVOTSA-N 2 0 227.352 0.583 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)c2c[nH+]ccc2N)C[NH2+]1 ZINC000638642036 352485577 /nfs/dbraw/zinc/48/55/77/352485577.db2.gz HHUMARGIHYHECN-RKDXNWHRSA-N 2 0 234.303 0.364 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643561 352486211 /nfs/dbraw/zinc/48/62/11/352486211.db2.gz LTPACJAYAQXGPQ-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638643562 352486313 /nfs/dbraw/zinc/48/63/13/352486313.db2.gz LTPACJAYAQXGPQ-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)C[NH2+]1 ZINC000638643863 352486335 /nfs/dbraw/zinc/48/63/35/352486335.db2.gz MQDAEZCKOBFLEO-PRJMDXOYSA-N 2 0 235.278 0.226 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])c2ccccc2)C[NH2+]1 ZINC000638643090 352486659 /nfs/dbraw/zinc/48/66/59/352486659.db2.gz KNOAMFFCAPQBLT-WXHSDQCUSA-N 2 0 247.342 0.943 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643991 352486838 /nfs/dbraw/zinc/48/68/38/352486838.db2.gz NTABJVGEAFYRHM-RGOKHQFPSA-N 2 0 213.325 0.226 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638644255 352487681 /nfs/dbraw/zinc/48/76/81/352487681.db2.gz OYNXCHGNTMFCOI-BJDJZHNGSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)CCCC[NH3+])C[NH2+]1 ZINC000638645057 352488207 /nfs/dbraw/zinc/48/82/07/352488207.db2.gz UBUBPHNOPDQEOO-UWVGGRQHSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@H]2[NH2+]CC2(C)C)C[NH2+]1 ZINC000638645691 352489832 /nfs/dbraw/zinc/48/98/32/352489832.db2.gz WRFOUWOVCVSEJZ-OPRDCNLKSA-N 2 0 225.336 0.241 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638652758 352493840 /nfs/dbraw/zinc/49/38/40/352493840.db2.gz UNGWCTWPWUYLBX-GUBZILKMSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C[NH2+]1 ZINC000638650313 352494274 /nfs/dbraw/zinc/49/42/74/352494274.db2.gz KYOLZLGKEUCIOK-ZDCRXTMVSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)c2ccc(C[NH3+])o2)C[NH2+]1 ZINC000638653182 352494992 /nfs/dbraw/zinc/49/49/92/352494992.db2.gz DQHQNGCCFGEOJU-DTWKUNHWSA-N 2 0 237.303 0.609 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638654114 352496804 /nfs/dbraw/zinc/49/68/04/352496804.db2.gz JBQDOBFQRNKPNJ-LPEHRKFASA-N 2 0 213.325 0.099 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)CC(C)(C)[NH3+])C[NH2+]1 ZINC000638657592 352498420 /nfs/dbraw/zinc/49/84/20/352498420.db2.gz WUWDIIWTFQPQAP-IUCAKERBSA-N 2 0 213.325 0.371 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCCNC2)C1 ZINC000415006118 352498428 /nfs/dbraw/zinc/49/84/28/352498428.db2.gz PVOZPGIKFXOWLW-IJLUTSLNSA-N 2 0 211.353 0.846 20 0 BCADRP CC(C)[C@@H](C(=O)NCCOCCC[NH3+])[C@@H](C)[NH3+] ZINC000638662317 352505299 /nfs/dbraw/zinc/50/52/99/352505299.db2.gz SPTXQBSLSOIUEI-GHMZBOCLSA-N 2 0 245.367 0.087 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NCCOCCC[NH3+] ZINC000638664125 352506291 /nfs/dbraw/zinc/50/62/91/352506291.db2.gz QSMNGNKOVVSMRY-NSHDSACASA-N 2 0 245.367 0.232 20 0 BCADRP C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638665316 352509049 /nfs/dbraw/zinc/50/90/49/352509049.db2.gz GEWOWOQZUHQWBB-QMMMGPOBSA-N 2 0 235.287 0.454 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NC/C=C\C[NH3+] ZINC000638690919 352527371 /nfs/dbraw/zinc/52/73/71/352527371.db2.gz WELRWAJIRDTBGN-LWTINBJPSA-N 2 0 228.340 0.318 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000638727429 352586307 /nfs/dbraw/zinc/58/63/07/352586307.db2.gz HQTYLFSCPKIHEV-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000040469111 352598327 /nfs/dbraw/zinc/59/83/27/352598327.db2.gz XHSBMPLYPHXIMO-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(C)(C)[NH3+] ZINC000040921033 352600003 /nfs/dbraw/zinc/60/00/03/352600003.db2.gz NSRKSUHUOSDFSN-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000040803271 352604594 /nfs/dbraw/zinc/60/45/94/352604594.db2.gz LYSUNHIONMLRRB-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CC[NH+](CC)CCCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000042165655 352613478 /nfs/dbraw/zinc/61/34/78/352613478.db2.gz UTYLBFXVFOQCSC-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000041680060 352616275 /nfs/dbraw/zinc/61/62/75/352616275.db2.gz FJMFHHTYELLULC-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000300409403 352563227 /nfs/dbraw/zinc/56/32/27/352563227.db2.gz ZYHYFQYIDQNXQI-AAEUAGOBSA-N 2 0 241.379 0.975 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CCCCO1 ZINC000042308783 352617889 /nfs/dbraw/zinc/61/78/89/352617889.db2.gz GZQDDGKWJBXZGQ-CYBMUJFWSA-N 2 0 241.379 0.393 20 0 BCADRP CN(C(=O)C(C)(C)C[NH3+])C1CC[NH+](C)CC1 ZINC000044751092 352655793 /nfs/dbraw/zinc/65/57/93/352655793.db2.gz NOOKDFDGIFJJQH-UHFFFAOYSA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)CNC(=O)CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000122299937 352662774 /nfs/dbraw/zinc/66/27/74/352662774.db2.gz URUMEQSODDSXCU-GHMZBOCLSA-N 2 0 227.352 0.428 20 0 BCADRP C(C1CC[NH2+]CC1)[NH+]1CCN(C2CC2)CC1 ZINC000042491212 352622050 /nfs/dbraw/zinc/62/20/50/352622050.db2.gz LOOSZBQSXSULGJ-UHFFFAOYSA-N 2 0 223.364 0.766 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC[N@@H+]1C ZINC000638765793 352705501 /nfs/dbraw/zinc/70/55/01/352705501.db2.gz OMCVWRVNWRJVJQ-LNFKQOIKSA-N 2 0 225.336 0.193 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638768373 352706135 /nfs/dbraw/zinc/70/61/35/352706135.db2.gz XRASWRKOZRPONX-LNFKQOIKSA-N 2 0 225.336 0.241 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000577852077 366084147 /nfs/dbraw/zinc/08/41/47/366084147.db2.gz VPCVVGXERFBNNJ-YFKPBYRVSA-N 2 0 227.230 0.120 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000638772488 352714875 /nfs/dbraw/zinc/71/48/75/352714875.db2.gz BEIBSGIKVAYINO-WGBDABJCSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000638772830 352715450 /nfs/dbraw/zinc/71/54/50/352715450.db2.gz JBKZXHOCXNCYIC-IELRGYKMSA-N 2 0 237.347 0.384 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000638774381 352716859 /nfs/dbraw/zinc/71/68/59/352716859.db2.gz RTLIJWLDKKPBCN-UKKRHICBSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334185716 352774924 /nfs/dbraw/zinc/77/49/24/352774924.db2.gz CDZVHPNVOZHDTH-NWDGAFQWSA-N 2 0 212.337 0.785 20 0 BCADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)CC(N)=O)CC1 ZINC000341962810 352734962 /nfs/dbraw/zinc/73/49/62/352734962.db2.gz VGHSFFJPJPRJBY-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+]C1)[C@@H](C)[NH3+] ZINC000638791848 352752621 /nfs/dbraw/zinc/75/26/21/352752621.db2.gz VLQJVJUSLZRQEV-BBBLOLIVSA-N 2 0 213.325 0.084 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2CC[NH2+]C2)CC2(CCC2)C1 ZINC000638792280 352753713 /nfs/dbraw/zinc/75/37/13/352753713.db2.gz IGDXAANDHGBRKS-SECBINFHSA-N 2 0 223.320 0.126 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000334198308 352790708 /nfs/dbraw/zinc/79/07/08/352790708.db2.gz LMBJPJXPTYNWAK-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000334207945 352804486 /nfs/dbraw/zinc/80/44/86/352804486.db2.gz LLIRXFYIGNNBLO-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000368126980 187897476 /nfs/dbraw/zinc/89/74/76/187897476.db2.gz VEGUXGAHUXOFCQ-TUAOUCFPSA-N 2 0 239.363 0.441 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638803197 352975603 /nfs/dbraw/zinc/97/56/03/352975603.db2.gz HMEJIJAYOTYQJP-VIFPVBQESA-N 2 0 249.314 0.608 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638803196 352975845 /nfs/dbraw/zinc/97/58/45/352975845.db2.gz HMEJIJAYOTYQJP-SECBINFHSA-N 2 0 249.314 0.608 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638804442 352978582 /nfs/dbraw/zinc/97/85/82/352978582.db2.gz VELZSVPSVBOJTE-JTQLQIEISA-N 2 0 249.314 0.608 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)NCC[NH2+]C2CC2)C[NH2+]1 ZINC000627068958 363200093 /nfs/dbraw/zinc/20/00/93/363200093.db2.gz NYBRSJBDJYWJGZ-GXSJLCMTSA-N 2 0 240.351 0.178 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638806723 352982525 /nfs/dbraw/zinc/98/25/25/352982525.db2.gz VELZSVPSVBOJTE-SNVBAGLBSA-N 2 0 249.314 0.608 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000638802884 352954178 /nfs/dbraw/zinc/95/41/78/352954178.db2.gz ZMWPRGSHIKGNAY-JFGNBEQYSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638840202 353016502 /nfs/dbraw/zinc/01/65/02/353016502.db2.gz AJGZYJGBNIQNAH-JTQLQIEISA-N 2 0 247.342 0.686 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638840420 353016971 /nfs/dbraw/zinc/01/69/71/353016971.db2.gz AVAXBMPPKYRQIM-ZDUSSCGKSA-N 2 0 247.342 0.686 20 0 BCADRP C[C@H]([NH3+])C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638841974 353018017 /nfs/dbraw/zinc/01/80/17/353018017.db2.gz IFWKTIKVMQDNAA-VIFPVBQESA-N 2 0 233.315 0.296 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334378568 535194534 /nfs/dbraw/zinc/19/45/34/535194534.db2.gz HHXBCPOJQIJZQM-NSHDSACASA-N 2 0 239.363 0.714 20 0 BCADRP CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC000638854512 353026245 /nfs/dbraw/zinc/02/62/45/353026245.db2.gz QCNOZPZAUZXPDE-QNWHQSFQSA-N 2 0 249.358 0.004 20 0 BCADRP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[NH+]2CCC1CC2 ZINC000638854628 353029258 /nfs/dbraw/zinc/02/92/58/353029258.db2.gz SAGNNPOYAMBHBM-TUAOUCFPSA-N 2 0 237.347 0.276 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638816838 352998093 /nfs/dbraw/zinc/99/80/93/352998093.db2.gz VSBJSJLKPQFHNF-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638818625 352998768 /nfs/dbraw/zinc/99/87/68/352998768.db2.gz CTAKQVZEABUWHP-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000638819255 352999624 /nfs/dbraw/zinc/99/96/24/352999624.db2.gz IEODEOUWFDUHMD-KKOKHZNYSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@@]1(C(=O)N2CCCCC[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000638819331 352999782 /nfs/dbraw/zinc/99/97/82/352999782.db2.gz JVCBBJSQTLBXNU-AAEUAGOBSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638820113 353000155 /nfs/dbraw/zinc/00/01/55/353000155.db2.gz QNJGMTAXGCZBKR-UWVGGRQHSA-N 2 0 213.325 0.311 20 0 BCADRP [NH3+]CCCCC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638820664 353001334 /nfs/dbraw/zinc/00/13/34/353001334.db2.gz YERANLUWXIHJJC-LLVKDONJSA-N 2 0 227.352 0.845 20 0 BCADRP [NH3+]CCCC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638822147 353002804 /nfs/dbraw/zinc/00/28/04/353002804.db2.gz GYGSMITZLFTMAB-JTQLQIEISA-N 2 0 213.325 0.455 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000638823042 353004176 /nfs/dbraw/zinc/00/41/76/353004176.db2.gz OLYLBFASAZMKDI-MNOVXSKESA-N 2 0 225.336 0.468 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000638823044 353004509 /nfs/dbraw/zinc/00/45/09/353004509.db2.gz OLYLBFASAZMKDI-WDEREUQCSA-N 2 0 225.336 0.468 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638822992 353004513 /nfs/dbraw/zinc/00/45/13/353004513.db2.gz NRAIMCVVWQRPPE-ZJUUUORDSA-N 2 0 213.325 0.454 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000638899835 353062458 /nfs/dbraw/zinc/06/24/58/353062458.db2.gz FHQQLEUPXBGQDP-GRYCIOLGSA-N 2 0 239.363 0.429 20 0 BCADRP [NH3+]C1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCCCC1 ZINC000638909745 353067081 /nfs/dbraw/zinc/06/70/81/353067081.db2.gz JVFNAOVJYUVSPN-UWVGGRQHSA-N 2 0 223.320 0.221 20 0 BCADRP [NH3+][C@H](CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccccc1 ZINC000638913875 353072143 /nfs/dbraw/zinc/07/21/43/353072143.db2.gz GOFWZLNHKSPGGR-RWMBFGLXSA-N 2 0 245.326 0.649 20 0 BCADRP O=C(c1ccc2c(c1)C[NH2+]C2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914722 353073242 /nfs/dbraw/zinc/07/32/42/353073242.db2.gz UEDNNBSLGRRHIS-STQMWFEESA-N 2 0 243.310 0.476 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914573 353073262 /nfs/dbraw/zinc/07/32/62/353073262.db2.gz BLFGHCZNUXDSGL-KQXIARHKSA-N 2 0 237.347 0.467 20 0 BCADRP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914746 353073400 /nfs/dbraw/zinc/07/34/00/353073400.db2.gz CXRZFKSMFDERQP-JQWIXIFHSA-N 2 0 242.282 0.521 20 0 BCADRP C[C@]([NH3+])(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccccc1 ZINC000638915451 353073951 /nfs/dbraw/zinc/07/39/51/353073951.db2.gz MPIRDIIITRTGMX-SGMGOOAPSA-N 2 0 245.326 0.433 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)CCC1CC[NH2+]CC1 ZINC000638937261 353111795 /nfs/dbraw/zinc/11/17/95/353111795.db2.gz SHVRWIPBHMQOFF-JQWIXIFHSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+]1C ZINC000638917694 353081742 /nfs/dbraw/zinc/08/17/42/353081742.db2.gz HBXKXZOJDVYAIF-FIQHERPVSA-N 2 0 237.347 0.289 20 0 BCADRP CC(C)([NH3+])C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261562143 535198291 /nfs/dbraw/zinc/19/82/91/535198291.db2.gz BCIFNLPTHDMXQB-UHFFFAOYSA-N 3 0 211.353 0.799 20 0 BCADRP O=C([C@@H]1CCCC[NH2+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638918490 353083199 /nfs/dbraw/zinc/08/31/99/353083199.db2.gz RQXBJNJHVUHBTN-AXFHLTTASA-N 2 0 223.320 0.091 20 0 BCADRP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926422 353086656 /nfs/dbraw/zinc/08/66/56/353086656.db2.gz GRMLWQVZXSPEPL-KZVDOYCCSA-N 2 0 249.358 0.339 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638926694 353087234 /nfs/dbraw/zinc/08/72/34/353087234.db2.gz LAORWOINUCTZNY-SDDRHHMPSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CCc2nccn2C1 ZINC000638930143 353091092 /nfs/dbraw/zinc/09/10/92/353091092.db2.gz IULCNQIXSXMDSQ-MXWKQRLJSA-N 2 0 248.330 0.394 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000336646416 187992209 /nfs/dbraw/zinc/99/22/09/187992209.db2.gz BEOKLFLYKYRUAP-UTLUCORTSA-N 2 0 213.325 0.165 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638932057 353093763 /nfs/dbraw/zinc/09/37/63/353093763.db2.gz QVBIGSLDRSFBDX-BBBLOLIVSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000638932952 353094890 /nfs/dbraw/zinc/09/48/90/353094890.db2.gz AUNREBMBSXRYLK-MXWKQRLJSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638929341 353099214 /nfs/dbraw/zinc/09/92/14/353099214.db2.gz FXPGCWXYYZJEBP-GMTAPVOTSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C1CC[NH+](C)CC1 ZINC000638935111 353099989 /nfs/dbraw/zinc/09/99/89/353099989.db2.gz LWCGPBYSLIWAPR-ONGXEEELSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C1CC[NH+](C)CC1 ZINC000638935106 353100006 /nfs/dbraw/zinc/10/00/06/353100006.db2.gz LWCGPBYSLIWAPR-GXSJLCMTSA-N 2 0 225.336 0.276 20 0 BCADRP CC(C)[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000336683203 188011240 /nfs/dbraw/zinc/01/12/40/188011240.db2.gz JPNQICYHIAHXNE-NEPJUHHUSA-N 2 0 214.353 0.887 20 0 BCADRP CC(C)(C[NH3+])NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000331763280 188016639 /nfs/dbraw/zinc/01/66/39/188016639.db2.gz KURRNYLHZLTLMI-SECBINFHSA-N 2 0 240.351 0.260 20 0 BCADRP CC(=O)NCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341177793 188044195 /nfs/dbraw/zinc/04/41/95/188044195.db2.gz ACNAXXUUJIRQTM-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CC(C)([NH3+])CN1CC[NH+](C2CCC2)CC1 ZINC000261591441 535199998 /nfs/dbraw/zinc/19/99/98/535199998.db2.gz VIZLCAIEWNGZNL-UHFFFAOYSA-N 2 0 211.353 0.894 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000049575435 188046005 /nfs/dbraw/zinc/04/60/05/188046005.db2.gz YGTYSLLVKMADNO-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000127131207 188047476 /nfs/dbraw/zinc/04/74/76/188047476.db2.gz HKOHWBUYNKXXKS-NEPJUHHUSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CCC[NH2+]C1 ZINC000131890010 188049116 /nfs/dbraw/zinc/04/91/16/188049116.db2.gz BNAPEJQZMBCCDA-WDEREUQCSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CC2)[C@@H](C)C[NH2+]1 ZINC000332147133 188052683 /nfs/dbraw/zinc/05/26/83/188052683.db2.gz NRZQIDDNPCYIND-WCABBAIRSA-N 2 0 240.351 0.116 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638945866 353147704 /nfs/dbraw/zinc/14/77/04/353147704.db2.gz JFMFWGIUFVCEJS-UWVGGRQHSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)CC1([NH3+])CCC1 ZINC000638946201 353148251 /nfs/dbraw/zinc/14/82/51/353148251.db2.gz LPBNGKZBFGWRJO-DTWKUNHWSA-N 2 0 211.309 0.206 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000037643488 358475815 /nfs/dbraw/zinc/47/58/15/358475815.db2.gz WDTGCNHBASYULQ-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP CCN1C[C@@H]([NH2+][C@H](C)CCCC[NH3+])CC1=O ZINC000391541584 259440418 /nfs/dbraw/zinc/44/04/18/259440418.db2.gz NMOIEWCFZYMEJR-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP COCC[NH2+]CC(=O)NC1(C[NH3+])CCCCC1 ZINC000639002074 353250353 /nfs/dbraw/zinc/25/03/53/353250353.db2.gz VILYCKYJRRZDHX-UHFFFAOYSA-N 2 0 243.351 0.000 20 0 BCADRP CC(C)CNC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074273 353253339 /nfs/dbraw/zinc/25/33/39/353253339.db2.gz ZSUSTEGATMSNSO-GFCCVEGCSA-N 2 0 241.379 0.819 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000070316919 353258841 /nfs/dbraw/zinc/25/88/41/353258841.db2.gz XYSSFMMLHILVRT-LBPRGKRZSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H](C(=O)NC1(C[NH3+])CCCCC1)[C@H](C)[NH3+] ZINC000638996971 353243165 /nfs/dbraw/zinc/24/31/65/353243165.db2.gz SFYWVSHAFKWXAY-ZJUUUORDSA-N 2 0 227.352 0.748 20 0 BCADRP [NH3+]CC(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000639020264 353274637 /nfs/dbraw/zinc/27/46/37/353274637.db2.gz MVLGBWXFXBBUNF-SECBINFHSA-N 2 0 219.288 0.109 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000639019478 353276066 /nfs/dbraw/zinc/27/60/66/353276066.db2.gz AZVIYNUVOGSASP-WISYIIOYSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639022685 353278535 /nfs/dbraw/zinc/27/85/35/353278535.db2.gz PUEQJPDBAHVGLV-GUBZILKMSA-N 2 0 213.325 0.356 20 0 BCADRP O=C([C@H]1CCC[NH2+]1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639026358 353278542 /nfs/dbraw/zinc/27/85/42/353278542.db2.gz DSFFKAKARBQOJP-QJPTWQEYSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639021126 353279186 /nfs/dbraw/zinc/27/91/86/353279186.db2.gz BGLFOJLJHQDBOH-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000639021863 353280183 /nfs/dbraw/zinc/28/01/83/353280183.db2.gz OFMOTLNHGGKRLA-XQQFMLRXSA-N 2 0 249.358 0.634 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000639023636 353282454 /nfs/dbraw/zinc/28/24/54/353282454.db2.gz XHLDUSJLAXLNDV-GUBZILKMSA-N 2 0 211.309 0.125 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C ZINC000356743767 188238408 /nfs/dbraw/zinc/23/84/08/188238408.db2.gz OGKYHNPWLKCBNA-SNVBAGLBSA-N 2 0 215.341 0.393 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+](C)C ZINC000359383838 188241547 /nfs/dbraw/zinc/24/15/47/188241547.db2.gz SNZDQINYYSFLMC-GRYCIOLGSA-N 2 0 239.363 0.250 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368101121 188247129 /nfs/dbraw/zinc/24/71/29/188247129.db2.gz SMRUQXJRQYHNGH-UTUOFQBUSA-N 2 0 239.363 0.428 20 0 BCADRP [NH3+][C@@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000368361576 188247181 /nfs/dbraw/zinc/24/71/81/188247181.db2.gz LTEANCUDCRDCHO-YNEHKIRRSA-N 2 0 245.326 0.507 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368389237 188247201 /nfs/dbraw/zinc/24/72/01/188247201.db2.gz VWLDOUVMMYKJEO-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368368345 188247354 /nfs/dbraw/zinc/24/73/54/188247354.db2.gz BRKMBACWOUBSHA-HBNTYKKESA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000370740801 188248270 /nfs/dbraw/zinc/24/82/70/188248270.db2.gz OZUMAQZMCKMOHU-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)([NH3+])CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000374608404 188250813 /nfs/dbraw/zinc/25/08/13/188250813.db2.gz COFHSXYQJXCHAE-GARJFASQSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CCC[NH2+]C1 ZINC000639030118 353292138 /nfs/dbraw/zinc/29/21/38/353292138.db2.gz AXJXVXIOSOFSJT-GVXVVHGQSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044808501 188258275 /nfs/dbraw/zinc/25/82/75/188258275.db2.gz NNTYKIKJIUBFHF-PWSUYJOCSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[C@H](C)[NH3+] ZINC000165300927 353294445 /nfs/dbraw/zinc/29/44/45/353294445.db2.gz VRRSODKSVUBIRP-OUAUKWLOSA-N 2 0 225.336 0.276 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639031852 353301433 /nfs/dbraw/zinc/30/14/33/353301433.db2.gz XQSUURYYQIHRAG-GUBZILKMSA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000639031864 353301564 /nfs/dbraw/zinc/30/15/64/353301564.db2.gz YQIGWXJZIOTPFS-IJLUTSLNSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+][C@H](C(=O)N[C@@H]1CC[C@@H]([NH3+])CC1)C1CCC1 ZINC000639032407 353301974 /nfs/dbraw/zinc/30/19/74/353301974.db2.gz WGOPSPGQWSDUCX-DCAQKATOSA-N 2 0 225.336 0.500 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062972018 188304303 /nfs/dbraw/zinc/30/43/03/188304303.db2.gz VJWQHOQVGHCDCY-MNOVXSKESA-N 2 0 227.352 0.522 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000162110275 353306159 /nfs/dbraw/zinc/30/61/59/353306159.db2.gz JGHQCVJSGDIWEX-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000162110421 353306181 /nfs/dbraw/zinc/30/61/81/353306181.db2.gz JGHQCVJSGDIWEX-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP O[C@@H]1CC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC000252876617 353312966 /nfs/dbraw/zinc/31/29/66/353312966.db2.gz QYUWWSZHDZZYIO-FRRDWIJNSA-N 2 0 224.348 0.689 20 0 BCADRP [NH3+]C[C@@H]1CN(C[C@@H]2CCCOC2)CCO1 ZINC000165490277 353367081 /nfs/dbraw/zinc/36/70/81/353367081.db2.gz XYXOEGTZQLSLSI-WDEREUQCSA-N 2 0 214.309 0.073 20 0 BCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CCC[NH3+] ZINC000237079459 188327199 /nfs/dbraw/zinc/32/71/99/188327199.db2.gz DOWMEMDHAAPKGB-LLVKDONJSA-N 2 0 227.352 0.526 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000627077427 363218853 /nfs/dbraw/zinc/21/88/53/363218853.db2.gz BYHCPHGGBKZIDM-WDEREUQCSA-N 2 0 242.367 0.494 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C[C@@H](C)[NH3+] ZINC000309261259 188343353 /nfs/dbraw/zinc/34/33/53/188343353.db2.gz IDQRIYBEFWBENY-NXEZZACHSA-N 2 0 215.341 0.556 20 0 BCADRP c1cn(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000085283199 538116410 /nfs/dbraw/zinc/11/64/10/538116410.db2.gz PHXKUNMSBKKKAA-QWRGUYRKSA-N 2 0 206.293 0.034 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)NCC(C)(C)[NH3+])C[NH2+]1 ZINC000627077872 363220512 /nfs/dbraw/zinc/22/05/12/363220512.db2.gz CWRCNBPNPYCFJX-RKDXNWHRSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000165526767 353384492 /nfs/dbraw/zinc/38/44/92/353384492.db2.gz XJVGBNRNZDUQEP-DCAQKATOSA-N 2 0 227.352 0.522 20 0 BCADRP CC(C)([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334268653 188353702 /nfs/dbraw/zinc/35/37/02/188353702.db2.gz CFFMQQFLEBXCIS-GFCCVEGCSA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)CCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000165539136 353387499 /nfs/dbraw/zinc/38/74/99/353387499.db2.gz WMHQAGAGZBHHMR-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082654321 188354935 /nfs/dbraw/zinc/35/49/35/188354935.db2.gz PYCBMKICMRWVHG-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H](CO)O1 ZINC000230072793 353419401 /nfs/dbraw/zinc/41/94/01/353419401.db2.gz KOTFVZWGFHQFIP-JQWIXIFHSA-N 2 0 228.336 0.068 20 0 BCADRP CO[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)[C@H](CN)C1 ZINC000520814262 324110114 /nfs/dbraw/zinc/11/01/14/324110114.db2.gz JEFDMTHISRJYRY-RWMBFGLXSA-N 2 0 241.379 0.424 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)[NH+](C)C ZINC000412392875 191278769 /nfs/dbraw/zinc/27/87/69/191278769.db2.gz FTXRHBWFWJKGSB-CMPLNLGQSA-N 2 0 239.363 0.680 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627080811 363226122 /nfs/dbraw/zinc/22/61/22/363226122.db2.gz HITUKXZMXOVVKL-WDEREUQCSA-N 2 0 242.367 0.426 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000353202869 188389138 /nfs/dbraw/zinc/38/91/38/188389138.db2.gz YBFQXGAOVUILBG-MXWKQRLJSA-N 2 0 225.336 0.099 20 0 BCADRP CC(C)C[C@@H](CNC(=O)C(C)(C)[NH3+])[NH+](C)C ZINC000040925223 188396658 /nfs/dbraw/zinc/39/66/58/188396658.db2.gz CGQQECUKPCHCMY-JTQLQIEISA-N 2 0 229.368 0.816 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000040467847 188397478 /nfs/dbraw/zinc/39/74/78/188397478.db2.gz PXOREVCROWYVFH-GHMZBOCLSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000123092412 188398812 /nfs/dbraw/zinc/39/88/12/188398812.db2.gz SPFAJLMDESRIEH-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)(C[NH3+])C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000123094042 188399130 /nfs/dbraw/zinc/39/91/30/188399130.db2.gz OUKZTVFQAKVEBO-JTQLQIEISA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)c1ccc(C[NH3+])cc1 ZINC000295202471 188393514 /nfs/dbraw/zinc/39/35/14/188393514.db2.gz PHELNYQGYDQUBJ-GFCCVEGCSA-N 2 0 235.331 0.858 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)NC[C@@H]([NH3+])C2CC2)C[NH2+]1 ZINC000627082582 363233902 /nfs/dbraw/zinc/23/39/02/363233902.db2.gz HOQOTLCYHCISRN-DVVUODLYSA-N 2 0 240.351 0.163 20 0 BCADRP C[NH2+]CCC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000574986410 353513807 /nfs/dbraw/zinc/51/38/07/353513807.db2.gz ILVKXRTZEVNHHF-MNOVXSKESA-N 2 0 227.352 0.395 20 0 BCADRP CC(C)[NH+](CCNC(=O)[C@@H]1CC[NH2+]C1)C(C)C ZINC000062112075 188405602 /nfs/dbraw/zinc/40/56/02/188405602.db2.gz PXLSVWKQYIWBGP-GFCCVEGCSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)NCC2([NH3+])CCC2)C[NH2+]1 ZINC000627083801 363233722 /nfs/dbraw/zinc/23/37/22/363233722.db2.gz KVJMJYKWYDCHHD-NXEZZACHSA-N 2 0 240.351 0.308 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000193300669 353589969 /nfs/dbraw/zinc/58/99/69/353589969.db2.gz JZAVKZAMWUQQRZ-NWDGAFQWSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000193309857 353590640 /nfs/dbraw/zinc/59/06/40/353590640.db2.gz NKQBHHFIDNAJBQ-NXEZZACHSA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)CCC[NH2+]1 ZINC000193545269 353600067 /nfs/dbraw/zinc/60/00/67/353600067.db2.gz RSHITAPHVNBHLR-NTZNESFSSA-N 2 0 239.363 0.775 20 0 BCADRP Cn1ncnc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000639108940 353652747 /nfs/dbraw/zinc/65/27/47/353652747.db2.gz NQEXCSYIICGUJF-UHFFFAOYSA-N 2 0 249.362 0.779 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000577867652 366091360 /nfs/dbraw/zinc/09/13/60/366091360.db2.gz RUNOJDFJHGCRCB-GARJFASQSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CC(F)(F)CN ZINC000577883104 366095014 /nfs/dbraw/zinc/09/50/14/366095014.db2.gz MIRGHHMOMOFQNW-BQBZGAKWSA-N 2 0 223.267 0.213 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000627090531 363243679 /nfs/dbraw/zinc/24/36/79/363243679.db2.gz WRYJKJVXONUXTO-UKKRHICBSA-N 2 0 240.351 0.034 20 0 BCADRP CC[C@H](O)CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000398467491 363246085 /nfs/dbraw/zinc/24/60/85/363246085.db2.gz COFIXQMEHMKRTH-STQMWFEESA-N 2 0 244.379 0.584 20 0 BCADRP CO[C@H](C[NH3+])CC(=O)NCC(C)(C)C[NH+](C)C ZINC000232110844 353695044 /nfs/dbraw/zinc/69/50/44/353695044.db2.gz XBFSRVBMPBYLJU-JTQLQIEISA-N 2 0 245.367 0.054 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CC(C)C1 ZINC000565181348 324205717 /nfs/dbraw/zinc/20/57/17/324205717.db2.gz NQUXQZZYWDSTCN-NEPJUHHUSA-N 2 0 239.363 0.489 20 0 BCADRP CO[C@]1(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCOC1 ZINC000639113706 353706699 /nfs/dbraw/zinc/70/66/99/353706699.db2.gz SFQOROPIYDSMST-XQQFMLRXSA-N 2 0 240.347 0.285 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627096021 363253524 /nfs/dbraw/zinc/25/35/24/363253524.db2.gz OQIOEGUEHZETJJ-VWYCJHECSA-N 2 0 242.367 0.554 20 0 BCADRP [NH3+][C@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000195212977 353732231 /nfs/dbraw/zinc/73/22/31/353732231.db2.gz RNTVUZXMALNDBP-XQQFMLRXSA-N 2 0 245.326 0.364 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627097343 363258284 /nfs/dbraw/zinc/25/82/84/363258284.db2.gz HFUOKNHQQMEVFW-LPEHRKFASA-N 2 0 228.340 0.163 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000232791896 353763574 /nfs/dbraw/zinc/76/35/74/353763574.db2.gz PSZYOKUXYHZDDU-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000627102462 363261439 /nfs/dbraw/zinc/26/14/39/363261439.db2.gz NCOZJEAKQFEEET-VHSXEESVSA-N 2 0 228.340 0.104 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C1([NH3+])CCC1 ZINC000220121679 353822476 /nfs/dbraw/zinc/82/24/76/353822476.db2.gz UJUWVYXTMAKFJP-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000343414950 353879689 /nfs/dbraw/zinc/87/96/89/353879689.db2.gz KFTBMROJRZCIIU-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)[C@@H](C)C[NH2+]1 ZINC000343447000 353890735 /nfs/dbraw/zinc/89/07/35/353890735.db2.gz YVRKKQFSIVXJAJ-NOOOWODRSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000627106294 363265646 /nfs/dbraw/zinc/26/56/46/363265646.db2.gz HPADQQAILPHSMJ-XWLWVQCSSA-N 2 0 242.367 0.552 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](C)CC2)C1 ZINC000334539722 353927395 /nfs/dbraw/zinc/92/73/95/353927395.db2.gz MQRTUVZJXOPHGJ-LBPRGKRZSA-N 2 0 239.363 0.396 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)CN(C)C ZINC000343672921 353951137 /nfs/dbraw/zinc/95/11/37/353951137.db2.gz RBZFGMLNTZIGOJ-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC1CCC(C[NH3+])CC1 ZINC000343637694 353950123 /nfs/dbraw/zinc/95/01/23/353950123.db2.gz IVUDDXCLIQLYPK-UNXYVOJBSA-N 2 0 241.379 0.723 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000366844078 353983809 /nfs/dbraw/zinc/98/38/09/353983809.db2.gz MRWCWPGFTVPIMW-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000343643188 353951777 /nfs/dbraw/zinc/95/17/77/353951777.db2.gz PRVDPZFNFPFMIW-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000343644698 353951896 /nfs/dbraw/zinc/95/18/96/353951896.db2.gz CXALTHLZFISFQA-YTWAJWBKSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000343644697 353951971 /nfs/dbraw/zinc/95/19/71/353951971.db2.gz CXALTHLZFISFQA-LMLFDSFASA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000343648331 353953302 /nfs/dbraw/zinc/95/33/02/353953302.db2.gz VQCYJYQNIDUWEE-ZRUFSTJUSA-N 2 0 225.336 0.323 20 0 BCADRP CCC[N@H+](C)CC(=O)NC1(C[NH+](C)C)CCC1 ZINC000343808500 354011310 /nfs/dbraw/zinc/01/13/10/354011310.db2.gz BJFWMKMMQMQGIX-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000038042304 358481957 /nfs/dbraw/zinc/48/19/57/358481957.db2.gz LHAWLSLQGXWFNE-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP CO[C@]1(C[N@H+](C)CCC[NH+](C)C)CCOC1 ZINC000639167707 354038969 /nfs/dbraw/zinc/03/89/69/354038969.db2.gz JWOGOLUDWDBJMT-LBPRGKRZSA-N 2 0 230.352 0.675 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C1(C[NH3+])CCC1 ZINC000449689466 202003191 /nfs/dbraw/zinc/00/31/91/202003191.db2.gz ZMAGIWPLVQAKKE-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP CCC[N@H+](C)CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449682116 202003240 /nfs/dbraw/zinc/00/32/40/202003240.db2.gz KUMJFHNIGZVOAF-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CC(C)(C)[NH2+]CCNCCn1ccnc1 ZINC000230973035 363332128 /nfs/dbraw/zinc/33/21/28/363332128.db2.gz PTPQIGWRNDGMHE-UHFFFAOYSA-N 3 0 210.325 0.861 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000449706265 202006359 /nfs/dbraw/zinc/00/63/59/202006359.db2.gz MVEYZWXBUMYYEC-WDEREUQCSA-N 2 0 241.379 0.722 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449736281 202013702 /nfs/dbraw/zinc/01/37/02/202013702.db2.gz UXAKYSQXECRPBC-WRWGMCAJSA-N 2 0 237.347 0.052 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000627135095 363351301 /nfs/dbraw/zinc/35/13/01/363351301.db2.gz NCHFJLYKVQCHFM-WDEREUQCSA-N 2 0 240.351 0.071 20 0 BCADRP C[C@H]1C[C@H](C[N@@H+]2CCCNCC2)CC[NH2+]1 ZINC000334587639 354213500 /nfs/dbraw/zinc/21/35/00/354213500.db2.gz YBOOIXLJDBRRSY-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP FC1(F)CNCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000334614742 354300305 /nfs/dbraw/zinc/30/03/05/354300305.db2.gz DRBVYCBUOKVIMB-GHMZBOCLSA-N 2 0 247.333 0.963 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000178601212 366144559 /nfs/dbraw/zinc/14/45/59/366144559.db2.gz QCBQIOHALZBPIK-NXEZZACHSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH+](C)CC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000578012030 366179268 /nfs/dbraw/zinc/17/92/68/366179268.db2.gz PHGQYJKXIGPHLA-WDEREUQCSA-N 2 0 225.336 0.052 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000179026547 366199697 /nfs/dbraw/zinc/19/96/97/366199697.db2.gz QKPICYRWDAEWLV-QWRGUYRKSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000578024056 366188887 /nfs/dbraw/zinc/18/88/87/366188887.db2.gz LYXSCGWVQQSVBY-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000334659952 354457551 /nfs/dbraw/zinc/45/75/51/354457551.db2.gz IBMXSADSPUHIMV-VHSXEESVSA-N 2 0 225.336 0.385 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@H](C)CCC[NH3+] ZINC000578070901 366219719 /nfs/dbraw/zinc/21/97/19/366219719.db2.gz QEJUEZDKUBETNG-OPRDCNLKSA-N 2 0 202.298 0.117 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000334708666 354504064 /nfs/dbraw/zinc/50/40/64/354504064.db2.gz ORIJPRUYDBYRBH-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000334710275 354506893 /nfs/dbraw/zinc/50/68/93/354506893.db2.gz JLIMATXAXBHEBR-MNOVXSKESA-N 2 0 239.363 0.490 20 0 BCADRP Cc1nccn1CC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000334812170 354569042 /nfs/dbraw/zinc/56/90/42/354569042.db2.gz KFADBFZWVGCJNT-PWSUYJOCSA-N 2 0 223.320 0.894 20 0 BCADRP Cn1nccc1CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000393889935 354596955 /nfs/dbraw/zinc/59/69/55/354596955.db2.gz ZJRFOPVUHVIRCN-CYBMUJFWSA-N 2 0 234.347 0.648 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000345326330 354611748 /nfs/dbraw/zinc/61/17/48/354611748.db2.gz SQAHYCFZXKIIOM-GRYCIOLGSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000345722787 354743702 /nfs/dbraw/zinc/74/37/02/354743702.db2.gz ROIDKZPGHMOIEW-HOSYDEDBSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000345721794 354743729 /nfs/dbraw/zinc/74/37/29/354743729.db2.gz VXCZDABXUOOTBN-JFGNBEQYSA-N 2 0 227.352 0.605 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000627158321 363396529 /nfs/dbraw/zinc/39/65/29/363396529.db2.gz QYQNVDPBSPFBEQ-XWLWVQCSSA-N 2 0 240.351 0.258 20 0 BCADRP COC[C@](C)(O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000639217195 354867371 /nfs/dbraw/zinc/86/73/71/354867371.db2.gz QVDQJTDIUHZZCX-RWMBFGLXSA-N 2 0 244.379 0.846 20 0 BCADRP C[C@@H]1OCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000235344029 363442584 /nfs/dbraw/zinc/44/25/84/363442584.db2.gz HNPSSGQPSFLWLY-QWRGUYRKSA-N 2 0 216.325 0.332 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449750355 202021089 /nfs/dbraw/zinc/02/10/89/202021089.db2.gz IRYVKFHOODGZJC-WPRPVWTQSA-N 2 0 225.336 0.384 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000449750035 202020931 /nfs/dbraw/zinc/02/09/31/202020931.db2.gz HQHLGTOQMXNPPR-HBNTYKKESA-N 2 0 239.363 0.761 20 0 BCADRP CC[N@H+](CCO)CCNC1CC[NH+](CC)CC1 ZINC000346515261 354963607 /nfs/dbraw/zinc/96/36/07/354963607.db2.gz BSDBUTDGKALUGN-UHFFFAOYSA-N 2 0 243.395 0.375 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000335204819 355039565 /nfs/dbraw/zinc/03/95/65/355039565.db2.gz ZIPAMNNHICXCDR-YPMHNXCESA-N 2 0 247.342 0.884 20 0 BCADRP Cc1cnc(CN2C[C@@H](C[NH3+])C[C@@H]2C)cn1 ZINC000346686316 355012538 /nfs/dbraw/zinc/01/25/38/355012538.db2.gz UAOVNTWDFWGCSL-WDEREUQCSA-N 2 0 220.320 0.954 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(Cc2cnc(N(C)C)nc2)C1 ZINC000346693021 355075950 /nfs/dbraw/zinc/07/59/50/355075950.db2.gz KJPMDRYGEWXMFM-CMPLNLGQSA-N 2 0 249.362 0.712 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000335215363 355053445 /nfs/dbraw/zinc/05/34/45/355053445.db2.gz HXVFLOAGIUCXIV-WCQYABFASA-N 2 0 237.347 0.150 20 0 BCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CC[NH+](C)C1 ZINC000335217905 355056318 /nfs/dbraw/zinc/05/63/18/355056318.db2.gz NMUJAGYVLHOHOX-NWDGAFQWSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@H](NC(=O)C1(C)C[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000335219560 355058604 /nfs/dbraw/zinc/05/86/04/355058604.db2.gz PTUFAPWOSSKCDS-UWVGGRQHSA-N 2 0 225.336 0.100 20 0 BCADRP c1ncn(C2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000346818461 355124392 /nfs/dbraw/zinc/12/43/92/355124392.db2.gz GHZMWBZGTBMYQU-LBPRGKRZSA-N 2 0 249.362 0.915 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449758463 202024659 /nfs/dbraw/zinc/02/46/59/202024659.db2.gz ZYWDSDILPMBJMY-GMTAPVOTSA-N 2 0 239.363 0.631 20 0 BCADRP C[NH+](C)CCOC1CCN(CC(C)(C)[NH3+])CC1 ZINC000346830130 355128544 /nfs/dbraw/zinc/12/85/44/355128544.db2.gz JWADFQGVUFICMB-UHFFFAOYSA-N 2 0 243.395 0.766 20 0 BCADRP Cc1n[nH]cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346832641 355129629 /nfs/dbraw/zinc/12/96/29/355129629.db2.gz RHZFAQMLXIOKQL-MVWJERBFSA-N 2 0 220.320 0.887 20 0 BCADRP C[NH+](C)C[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000346844091 355134674 /nfs/dbraw/zinc/13/46/74/355134674.db2.gz YTCCNBGUPKFKQZ-OLZOCXBDSA-N 2 0 241.379 0.248 20 0 BCADRP C[C@H](O)C[N@@H+]1CCN(CC(C)(C)[NH3+])C[C@H]1C ZINC000346848358 355136792 /nfs/dbraw/zinc/13/67/92/355136792.db2.gz QEKDCJGSPKVHKE-MNOVXSKESA-N 2 0 229.368 0.111 20 0 BCADRP COC(=O)[C@]1(C)CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346971118 355207402 /nfs/dbraw/zinc/20/74/02/355207402.db2.gz KMIUFNPIPYKPTI-WCQYABFASA-N 2 0 240.347 0.871 20 0 BCADRP COC(=O)[C@@]1(C)CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346971119 355207534 /nfs/dbraw/zinc/20/75/34/355207534.db2.gz KMIUFNPIPYKPTI-YPMHNXCESA-N 2 0 240.347 0.871 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000346985977 355187174 /nfs/dbraw/zinc/18/71/74/355187174.db2.gz RHFLOYWWLVUHHK-FRRDWIJNSA-N 2 0 223.364 0.670 20 0 BCADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2C[C@@H](O)C2)CC1 ZINC000639240689 355225229 /nfs/dbraw/zinc/22/52/29/355225229.db2.gz WDIGQEFKDLPIED-TXEJJXNPSA-N 2 0 242.363 0.335 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC(=O)N2)CC[N@@H+]1C ZINC000639245679 355261099 /nfs/dbraw/zinc/26/10/99/355261099.db2.gz ZTHQQCKPLMKAFU-WZRBSPASSA-N 2 0 239.363 0.727 20 0 BCADRP CC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513511 355250284 /nfs/dbraw/zinc/25/02/84/355250284.db2.gz UDNHERKTVFTECZ-GHMZBOCLSA-N 2 0 200.326 0.641 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@H]1C[NH+](C)C)[NH+](C)C ZINC000413344912 191374250 /nfs/dbraw/zinc/37/42/50/191374250.db2.gz XEKOHBNCLKVFOR-NWDGAFQWSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000309795188 491076940 /nfs/dbraw/zinc/07/69/40/491076940.db2.gz PZVZWYSTJVSWEE-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000584346126 355366982 /nfs/dbraw/zinc/36/69/82/355366982.db2.gz TVMJXROGARBFBF-QXEWZRGKSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccoc1 ZINC000584345109 355361541 /nfs/dbraw/zinc/36/15/41/355361541.db2.gz CHFUIPLRNKQWOH-NSHDSACASA-N 2 0 223.320 0.835 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000414732874 191557445 /nfs/dbraw/zinc/55/74/45/191557445.db2.gz ISUWBQMCGOGMTE-TUAOUCFPSA-N 2 0 211.353 0.511 20 0 BCADRP O=C([C@@H]1CCC[NH2+]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000335794174 355448638 /nfs/dbraw/zinc/44/86/38/355448638.db2.gz RKESEWOBLJOUIM-NSHDSACASA-N 2 0 237.347 0.341 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC[NH2+]1 ZINC000335786637 355436300 /nfs/dbraw/zinc/43/63/00/355436300.db2.gz QBYQRMKPRCYJES-SNVBAGLBSA-N 2 0 245.326 0.724 20 0 BCADRP C[C@]1(CNC(=O)C2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000335990410 134040274 /nfs/dbraw/zinc/04/02/74/134040274.db2.gz GCWHXXSKCSUQNI-ZDUSSCGKSA-N 2 0 239.363 0.492 20 0 BCADRP CN(C)c1nccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000414800759 191572005 /nfs/dbraw/zinc/57/20/05/191572005.db2.gz LICVCTLLOFHSEM-CMPLNLGQSA-N 2 0 249.362 0.760 20 0 BCADRP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC[NH2+]CC1 ZINC000335794758 355450483 /nfs/dbraw/zinc/45/04/83/355450483.db2.gz MYOCHWSGIYFQNJ-KGLIPLIRSA-N 3 0 237.391 0.917 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)CN(C)Cc1ccccc1 ZINC000349931707 355529804 /nfs/dbraw/zinc/52/98/04/355529804.db2.gz AKIMVYBODSRWPY-LBPRGKRZSA-N 2 0 249.358 0.972 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000349987621 355546718 /nfs/dbraw/zinc/54/67/18/355546718.db2.gz LUQLCDKQOBSGHI-JFGNBEQYSA-N 2 0 227.352 0.748 20 0 BCADRP CN(C(=O)[C@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000335852304 355596759 /nfs/dbraw/zinc/59/67/59/355596759.db2.gz VCJWZWHCAFHDPZ-CMPLNLGQSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)CCC1CC[NH2+]CC1 ZINC000583563756 355613387 /nfs/dbraw/zinc/61/33/87/355613387.db2.gz YTEBMZYLWBRAMB-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000350021034 355576824 /nfs/dbraw/zinc/57/68/24/355576824.db2.gz WTBYTXGCVLTZJY-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000582181802 355646031 /nfs/dbraw/zinc/64/60/31/355646031.db2.gz RUJZUEHGOKSNAP-UPJWGTAASA-N 2 0 241.379 0.472 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC(C)(C)CC[NH3+] ZINC000582182609 355651058 /nfs/dbraw/zinc/65/10/58/355651058.db2.gz LVYJLKZNVGYMET-QMMMGPOBSA-N 2 0 213.325 0.371 20 0 BCADRP CCN1C[C@@H](C)[C@H]([NH2+][C@@H](C)CN(C)C)C1 ZINC000380314247 355703194 /nfs/dbraw/zinc/70/31/94/355703194.db2.gz IGSZBRODQJTBLU-GRYCIOLGSA-N 2 0 213.369 0.866 20 0 BCADRP CC[NH+](CC)CCCNC(=O)NCCC[NH2+]C ZINC000416811452 191764702 /nfs/dbraw/zinc/76/47/02/191764702.db2.gz KAUVQHMPOUJXFU-UHFFFAOYSA-N 2 0 244.383 0.627 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)c2ccc(C[NH3+])o2)[C@@H]1C ZINC000335894491 355688399 /nfs/dbraw/zinc/68/83/99/355688399.db2.gz JORDCQOUHKRTRC-RKDXNWHRSA-N 2 0 237.303 0.561 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371018496 355877777 /nfs/dbraw/zinc/87/77/77/355877777.db2.gz NKAVIPBFBBBJAX-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000206534240 355935364 /nfs/dbraw/zinc/93/53/64/355935364.db2.gz JSNUNZYKHVBANE-LLVKDONJSA-N 2 0 227.352 0.491 20 0 BCADRP COC[C@H](C)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000389249292 355936105 /nfs/dbraw/zinc/93/61/05/355936105.db2.gz BWHBJEDPUXKZEM-GHMZBOCLSA-N 2 0 200.326 0.940 20 0 BCADRP CC[N@H+](CCNC(=O)C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000167207675 355977375 /nfs/dbraw/zinc/97/73/75/355977375.db2.gz VLKAKVDPHBDXEF-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000167400140 355987704 /nfs/dbraw/zinc/98/77/04/355987704.db2.gz XYNALZIXCXKFBT-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417810497 191932792 /nfs/dbraw/zinc/93/27/92/191932792.db2.gz INLIHNXYXHVFOI-ZJUUUORDSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@]1(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC[NH2+]C1 ZINC000417835809 191934364 /nfs/dbraw/zinc/93/43/64/191934364.db2.gz OCBGXTARYGIQEX-WCQYABFASA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]C[C@H](NC(=O)C[NH2+]CC1CC1)C1CCCC1 ZINC000417841310 191935470 /nfs/dbraw/zinc/93/54/70/191935470.db2.gz SZBHDUMCWQAEIP-LBPRGKRZSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000584350194 356062184 /nfs/dbraw/zinc/06/21/84/356062184.db2.gz WEYDSKWBQNQYFT-MNOVXSKESA-N 2 0 227.352 0.557 20 0 BCADRP CCN(C(=O)C[NH+](CC)CC)[C@@H]1CC[N@H+](C)C1 ZINC000617555133 356111776 /nfs/dbraw/zinc/11/17/76/356111776.db2.gz QIBUNPGNRGVTSK-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](C)C1 ZINC000617555105 356111934 /nfs/dbraw/zinc/11/19/34/356111934.db2.gz PZRFTTSESBFCKY-NEPJUHHUSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCC[NH3+] ZINC000418194374 191994152 /nfs/dbraw/zinc/99/41/52/191994152.db2.gz DNOXXQRSPDNIMR-JTQLQIEISA-N 2 0 230.356 0.363 20 0 BCADRP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351864950 356101550 /nfs/dbraw/zinc/10/15/50/356101550.db2.gz ZYPVSAMYOADBNI-TUAOUCFPSA-N 2 0 241.379 0.911 20 0 BCADRP C[C@@H](CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000418250527 192007204 /nfs/dbraw/zinc/00/72/04/192007204.db2.gz HEUYZFDSWCDIII-AXFHLTTASA-N 2 0 242.367 0.506 20 0 BCADRP C[NH2+]CCCNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000418278994 192012548 /nfs/dbraw/zinc/01/25/48/192012548.db2.gz NIQLPONMXQYGKB-UHFFFAOYSA-N 2 0 242.367 0.332 20 0 BCADRP [NH3+]CCNC(=O)NCCCCC[NH+]1CCCC1 ZINC000418220890 191998942 /nfs/dbraw/zinc/99/89/42/191998942.db2.gz SYDIYHLRYLDMPD-UHFFFAOYSA-N 2 0 242.367 0.510 20 0 BCADRP CC1(C)CCC[N@H+](CCNC(=O)NCC[NH3+])C1 ZINC000418297745 192019987 /nfs/dbraw/zinc/01/99/87/192019987.db2.gz LBOZLPDASTVCBY-UHFFFAOYSA-N 2 0 242.367 0.366 20 0 BCADRP [NH3+]CCNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418299349 192020627 /nfs/dbraw/zinc/02/06/27/192020627.db2.gz SHJBHTFSXZZVJP-JTQLQIEISA-N 2 0 228.340 0.152 20 0 BCADRP CCN(CCC[NH+]1CCCC1)C(=O)NCC[NH3+] ZINC000418308555 192021029 /nfs/dbraw/zinc/02/10/29/192021029.db2.gz UPAGNEKMRVATFN-UHFFFAOYSA-N 2 0 242.367 0.463 20 0 BCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCC[NH3+] ZINC000418310794 192021738 /nfs/dbraw/zinc/02/17/38/192021738.db2.gz KTJBLWZFEXSJDK-LLVKDONJSA-N 2 0 242.367 0.317 20 0 BCADRP [NH3+]CCCNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000418314879 192022268 /nfs/dbraw/zinc/02/22/68/192022268.db2.gz SXMSBUWLPYHZCK-UHFFFAOYSA-N 2 0 240.351 0.072 20 0 BCADRP C[NH2+]CCNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000418313548 192022760 /nfs/dbraw/zinc/02/27/60/192022760.db2.gz CGXIVYVKYVSRAW-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP CCCN(C(=O)NCC[NH2+]CC)[C@H]1CC[NH2+]C1 ZINC000418313830 192022790 /nfs/dbraw/zinc/02/27/90/192022790.db2.gz CMDQTEFGQSFBLE-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP [NH3+]CCCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418315316 192022862 /nfs/dbraw/zinc/02/28/62/192022862.db2.gz UVDWLJVVBUWDPN-VHSXEESVSA-N 2 0 228.340 0.152 20 0 BCADRP C[NH2+]CCNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000418313549 192022937 /nfs/dbraw/zinc/02/29/37/192022937.db2.gz CGXIVYVKYVSRAW-ZJUUUORDSA-N 2 0 228.340 0.117 20 0 BCADRP [NH3+]CCCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418315317 192023297 /nfs/dbraw/zinc/02/32/97/192023297.db2.gz UVDWLJVVBUWDPN-ZJUUUORDSA-N 2 0 228.340 0.152 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000336103577 134083947 /nfs/dbraw/zinc/08/39/47/134083947.db2.gz KQTYALODUYBDFA-WDEREUQCSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+]CCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418319739 192024209 /nfs/dbraw/zinc/02/42/09/192024209.db2.gz RNOPBXWEDPABPX-JTQLQIEISA-N 2 0 228.340 0.023 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NCCC[NH2+]C1CC1 ZINC000418286370 192014746 /nfs/dbraw/zinc/01/47/46/192014746.db2.gz HOBDBVMRMBMHDG-SNVBAGLBSA-N 2 0 242.367 0.426 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NCCC[NH2+]C1CC1 ZINC000418291707 192016742 /nfs/dbraw/zinc/01/67/42/192016742.db2.gz WRRIJVISUYDRTM-NSHDSACASA-N 2 0 242.367 0.411 20 0 BCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCC[NH3+] ZINC000418292956 192017484 /nfs/dbraw/zinc/01/74/84/192017484.db2.gz DJZCDKFLHBXPDI-LLVKDONJSA-N 2 0 242.367 0.461 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000331823654 356203732 /nfs/dbraw/zinc/20/37/32/356203732.db2.gz CGBVFYMIYRAJJF-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000376789440 192018571 /nfs/dbraw/zinc/01/85/71/192018571.db2.gz HZQIXFGPDISOGU-PWSUYJOCSA-N 2 0 245.342 0.520 20 0 BCADRP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H](C)N1 ZINC000420301339 192206308 /nfs/dbraw/zinc/20/63/08/192206308.db2.gz VNRJGQRGFXGZLQ-GRYCIOLGSA-N 2 0 211.353 0.668 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420319873 192195513 /nfs/dbraw/zinc/19/55/13/192195513.db2.gz ASFDWZPPZMKQSD-OLZOCXBDSA-N 3 0 241.379 0.283 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333503656 356294872 /nfs/dbraw/zinc/29/48/72/356294872.db2.gz DPSJTKBBTPPSNZ-ZDCRXTMVSA-N 2 0 237.347 0.099 20 0 BCADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000639488825 356305329 /nfs/dbraw/zinc/30/53/29/356305329.db2.gz LNOAXDXXDZFKHO-RYUDHWBXSA-N 2 0 249.362 0.649 20 0 BCADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000639488824 356305661 /nfs/dbraw/zinc/30/56/61/356305661.db2.gz LNOAXDXXDZFKHO-NWDGAFQWSA-N 2 0 249.362 0.649 20 0 BCADRP CCN(C)C(=O)CC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000420282599 192199797 /nfs/dbraw/zinc/19/97/97/192199797.db2.gz BRWBCDYELOFGBK-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000420286244 192199981 /nfs/dbraw/zinc/19/99/81/192199981.db2.gz FZXZBTDZAHZKQQ-CYBMUJFWSA-N 3 0 242.411 0.197 20 0 BCADRP CC[C@H](C(=O)NCC[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000617755115 356313480 /nfs/dbraw/zinc/31/34/80/356313480.db2.gz IFIGXACUMZBHMT-GHMZBOCLSA-N 2 0 229.368 0.783 20 0 BCADRP C[C@H](c1cnccn1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282223 356314165 /nfs/dbraw/zinc/31/41/65/356314165.db2.gz MSUFRKLXEOEHGV-MXWKQRLJSA-N 2 0 218.304 0.689 20 0 BCADRP CCOC(=O)CCN1CCC[C@H]1C[NH3+] ZINC000420290946 192201403 /nfs/dbraw/zinc/20/14/03/192201403.db2.gz MQXJGZSNYDTSEH-VIFPVBQESA-N 2 0 200.282 0.363 20 0 BCADRP COC[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000420295266 192202416 /nfs/dbraw/zinc/20/24/16/192202416.db2.gz CCGJIAPFDYQIIW-OLZOCXBDSA-N 2 0 242.363 0.723 20 0 BCADRP NC[C@@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420293213 192202446 /nfs/dbraw/zinc/20/24/46/192202446.db2.gz MVNDYNRSTGLXBZ-NEPJUHHUSA-N 2 0 211.353 0.799 20 0 BCADRP COC[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000420295264 192202670 /nfs/dbraw/zinc/20/26/70/192202670.db2.gz CCGJIAPFDYQIIW-CHWSQXEVSA-N 2 0 242.363 0.723 20 0 BCADRP COC(=O)CC1(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000420292900 192203247 /nfs/dbraw/zinc/20/32/47/192203247.db2.gz QHEGIBREDYFQLB-MNOVXSKESA-N 2 0 240.347 0.999 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)[C@H](C)CN1 ZINC000420332794 192214317 /nfs/dbraw/zinc/21/43/17/192214317.db2.gz BZAXWAKKLXTNRQ-IJLUTSLNSA-N 2 0 211.353 0.668 20 0 BCADRP COC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332534 192214360 /nfs/dbraw/zinc/21/43/60/192214360.db2.gz RUNTVKIOROCUBD-MNOVXSKESA-N 2 0 226.320 0.481 20 0 BCADRP C[NH2+]CCN(C)CCC(=O)Nc1cccnc1 ZINC000420339243 192216458 /nfs/dbraw/zinc/21/64/58/192216458.db2.gz PRIYGUPSMCXHOH-UHFFFAOYSA-N 2 0 236.319 0.561 20 0 BCADRP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@H]1CC[NH2+]C1 ZINC000420342544 192216661 /nfs/dbraw/zinc/21/66/61/192216661.db2.gz QXTGYJCSYDYRDO-MCIONIFRSA-N 3 0 237.391 0.917 20 0 BCADRP CN(CC[N@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000420350514 192217729 /nfs/dbraw/zinc/21/77/29/192217729.db2.gz HECANKAQYUXGDP-ZDUSSCGKSA-N 2 0 237.347 0.374 20 0 BCADRP C[N@H+](CC[C@H]1CC[NH2+]C1)CC(=O)NC(C)(C)C ZINC000420304247 192209002 /nfs/dbraw/zinc/20/90/02/192209002.db2.gz LIJTVDVYPALLCZ-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CCCCCNC(=O)CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000420308627 192211728 /nfs/dbraw/zinc/21/17/28/192211728.db2.gz DAQHXNWZTIYRLR-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP COc1ccc([C@@H](C[NH3+])CN(C)C2C[NH2+]C2)cc1 ZINC000420317431 192212664 /nfs/dbraw/zinc/21/26/64/192212664.db2.gz OOCCJSZMEQZHFZ-LBPRGKRZSA-N 2 0 249.358 0.641 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420316521 192212945 /nfs/dbraw/zinc/21/29/45/192212945.db2.gz SXBCNARQJQBLGU-GFCCVEGCSA-N 2 0 241.379 0.916 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420316523 192212980 /nfs/dbraw/zinc/21/29/80/192212980.db2.gz SXBCNARQJQBLGU-LBPRGKRZSA-N 2 0 241.379 0.916 20 0 BCADRP COC[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000420368275 192225813 /nfs/dbraw/zinc/22/58/13/192225813.db2.gz HYFUISVWYGQKOI-AGIUHOORSA-N 2 0 242.363 0.722 20 0 BCADRP NC(=O)[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000043497618 181269890 /nfs/dbraw/zinc/26/98/90/181269890.db2.gz QPLMTCHMWWDONA-LLVKDONJSA-N 2 0 225.336 0.183 20 0 BCADRP COC(=O)CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420328443 192230131 /nfs/dbraw/zinc/23/01/31/192230131.db2.gz MNHRDHZHCVZLLC-NEPJUHHUSA-N 2 0 240.347 0.871 20 0 BCADRP COC(=O)CCN(CC[NH3+])CC(C)C ZINC000420357549 192219157 /nfs/dbraw/zinc/21/91/57/192219157.db2.gz IDPCGBWQZXWVLW-UHFFFAOYSA-N 2 0 202.298 0.466 20 0 BCADRP CC[N@H+](CCn1ccnc1C)C[C@H](C)O ZINC000352193741 134098229 /nfs/dbraw/zinc/09/82/29/134098229.db2.gz FLKWXAHGPXWVFD-JTQLQIEISA-N 2 0 211.309 0.894 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000300406728 356414746 /nfs/dbraw/zinc/41/47/46/356414746.db2.gz BGJPUERENPFPBQ-WCQYABFASA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CCCN(C)CCN1CCO[C@@H](C)C1 ZINC000420396845 192236893 /nfs/dbraw/zinc/23/68/93/192236893.db2.gz WIVNQVXCTFNIDX-LBPRGKRZSA-N 2 0 229.368 0.248 20 0 BCADRP C[C@@H]([NH3+])CN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420398919 192237983 /nfs/dbraw/zinc/23/79/83/192237983.db2.gz ZIWOYHKGPPLAAO-JIMOISOXSA-N 2 0 237.322 0.899 20 0 BCADRP CC[C@H]1COCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000037482604 356425063 /nfs/dbraw/zinc/42/50/63/356425063.db2.gz CDQAOFTZYVEVBU-LBPRGKRZSA-N 2 0 227.352 0.002 20 0 BCADRP [NH3+]CCOCCN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000420412175 192241425 /nfs/dbraw/zinc/24/14/25/192241425.db2.gz SEWXZSJRQIUQTB-AWEZNQCLSA-N 2 0 249.358 0.608 20 0 BCADRP CCN1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)CC1=O ZINC000420380869 192233456 /nfs/dbraw/zinc/23/34/56/192233456.db2.gz WYBMOSYAYHHDQW-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420379987 192233543 /nfs/dbraw/zinc/23/35/43/192233543.db2.gz BYDVGSCPTJIJLJ-OLZOCXBDSA-N 3 0 241.379 0.426 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000019412392 356483287 /nfs/dbraw/zinc/48/32/87/356483287.db2.gz NEUYQFLDSSDPKS-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC(C)C ZINC000019511329 356484441 /nfs/dbraw/zinc/48/44/41/356484441.db2.gz KLHMAELHTCGRPJ-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@@H](C)NC(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000019843076 356486286 /nfs/dbraw/zinc/48/62/86/356486286.db2.gz KXPZVOFVYHGWFG-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000237158489 363466496 /nfs/dbraw/zinc/46/64/96/363466496.db2.gz BZSADJMJIXCESQ-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCc1cncn1C ZINC000639625524 356539132 /nfs/dbraw/zinc/53/91/32/356539132.db2.gz YLCKTNBLGGJEGP-KOLCDFICSA-N 2 0 236.319 0.077 20 0 BCADRP CC[C@H](N[C@@H]1CC[N@H+](CC)C[C@@H]1C)C(=O)NC ZINC000449780775 202034014 /nfs/dbraw/zinc/03/40/14/202034014.db2.gz VOZHCVBSFJVVSS-SDDRHHMPSA-N 2 0 241.379 0.831 20 0 BCADRP O=C(CCC1CC[NH2+]CC1)NC[C@@H]1CCC[NH2+]1 ZINC000179768984 366301548 /nfs/dbraw/zinc/30/15/48/366301548.db2.gz PPIXEOPXLHBAEC-LBPRGKRZSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C2([NH3+])CCC2)C[N@@H+]1C1CC1 ZINC000336213115 134135734 /nfs/dbraw/zinc/13/57/34/134135734.db2.gz CVVVXOIPVGCNDZ-UWVGGRQHSA-N 2 0 237.347 0.609 20 0 BCADRP Cn1cncc1CC[N@H+](C)CC(C)(C)CO ZINC000639658873 356567108 /nfs/dbraw/zinc/56/71/08/356567108.db2.gz KSEKAOJAYMMGNE-UHFFFAOYSA-N 2 0 225.336 0.913 20 0 BCADRP CC[C@H](CO)[N@H+](C)CCc1cncn1C ZINC000639658699 356567395 /nfs/dbraw/zinc/56/73/95/356567395.db2.gz CGUKSMJPSRNQBE-SNVBAGLBSA-N 2 0 211.309 0.665 20 0 BCADRP CC(=O)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000639660918 356570947 /nfs/dbraw/zinc/57/09/47/356570947.db2.gz WRICZPGKIBKETJ-LBPRGKRZSA-N 2 0 210.321 0.993 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000627205543 363501726 /nfs/dbraw/zinc/50/17/26/363501726.db2.gz BSQFOAJWTRVCRS-GMTAPVOTSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)NC(C)(C)C[NH3+])C[NH2+]1 ZINC000627205448 363502256 /nfs/dbraw/zinc/50/22/56/363502256.db2.gz AANLPEWYSMHUII-BDAKNGLRSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627207148 363503191 /nfs/dbraw/zinc/50/31/91/363503191.db2.gz OZSCPLNJIWYGQY-UTLUCORTSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]([NH3+])C2)C[NH2+]1 ZINC000627208452 363504245 /nfs/dbraw/zinc/50/42/45/363504245.db2.gz XPXYRMXEWLNEFB-MXWKQRLJSA-N 2 0 240.351 0.260 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627210481 363506391 /nfs/dbraw/zinc/50/63/91/363506391.db2.gz QNDZMQGITXLGLZ-ZJUUUORDSA-N 2 0 228.340 0.117 20 0 BCADRP CC(C)C(=O)NCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423018837 192542005 /nfs/dbraw/zinc/54/20/05/192542005.db2.gz ZXVAHTOFTHOIAT-NEPJUHHUSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@H]1CN(CC[NH2+][C@H](C)CCC[NH3+])CCO1 ZINC000423079737 192561173 /nfs/dbraw/zinc/56/11/73/192561173.db2.gz APIAZEDQMGMGOL-OLZOCXBDSA-N 2 0 243.395 0.814 20 0 BCADRP C([C@H]1CCCCO1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287496 356655072 /nfs/dbraw/zinc/65/50/72/356655072.db2.gz KMTXAAMTLRHZFX-IJLUTSLNSA-N 2 0 210.321 0.707 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C)C1CC[NH2+]CC1 ZINC000582240368 356671071 /nfs/dbraw/zinc/67/10/71/356671071.db2.gz IDADYDUWYMDLAM-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+]Cc1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000675072513 538503366 /nfs/dbraw/zinc/50/33/66/538503366.db2.gz IEKZOKAZIZZOGN-SNVBAGLBSA-N 2 0 223.324 0.387 20 0 BCADRP CC[C@@H](C[N@@H+]1CCC[C@](O)(CN(C)C)C1)OC ZINC000639760864 356675695 /nfs/dbraw/zinc/67/56/95/356675695.db2.gz BWKPDESOHXDBRN-STQMWFEESA-N 2 0 244.379 0.800 20 0 BCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167663106 134153921 /nfs/dbraw/zinc/15/39/21/134153921.db2.gz OHDKTMPFDNBLBX-VWYCJHECSA-N 2 0 227.352 0.380 20 0 BCADRP C[C@H](C(N)=O)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757869 356664780 /nfs/dbraw/zinc/66/47/80/356664780.db2.gz QAYHRVWVMWPHBN-SNVBAGLBSA-N 2 0 225.336 0.278 20 0 BCADRP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CC[NH2+]CC1 ZINC000035728224 356705753 /nfs/dbraw/zinc/70/57/53/356705753.db2.gz VANDPDIJQGGCAP-ZDUSSCGKSA-N 2 0 245.326 0.133 20 0 BCADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH3+])CC1 ZINC000353760693 356718266 /nfs/dbraw/zinc/71/82/66/356718266.db2.gz RPXHWUWQQRGLCF-LLVKDONJSA-N 2 0 239.363 0.714 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000353787271 356719015 /nfs/dbraw/zinc/71/90/15/356719015.db2.gz PUYZUFNTUZCXHY-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000353787268 356719436 /nfs/dbraw/zinc/71/94/36/356719436.db2.gz PUYZUFNTUZCXHY-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH+](C)CC1(C(=O)NCC[NH2+]C(C)(C)C)CC1 ZINC000639798241 356755913 /nfs/dbraw/zinc/75/59/13/356755913.db2.gz AQXDWYCHKCRHCH-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)C[NH3+])C1 ZINC000357245137 356820221 /nfs/dbraw/zinc/82/02/21/356820221.db2.gz UTHLTOQVBPLNMX-NEPJUHHUSA-N 2 0 241.379 0.675 20 0 BCADRP C[C@@H]1CC[C@H]([NH2+]CCN2CC[C@@H](O)C2)C1 ZINC000623759006 356821271 /nfs/dbraw/zinc/82/12/71/356821271.db2.gz WLHFDNKVLFMRQZ-GRYCIOLGSA-N 2 0 212.337 0.831 20 0 BCADRP CC[NH+]1CCC(NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000358252849 356864786 /nfs/dbraw/zinc/86/47/86/356864786.db2.gz OAJPWQCCFJKRGX-ZDUSSCGKSA-N 2 0 241.379 0.127 20 0 BCADRP CC1(C)CN(C(=O)[C@@H]2CC23C[NH2+]C3)CC[C@H]1[NH3+] ZINC000368486615 356973454 /nfs/dbraw/zinc/97/34/54/356973454.db2.gz CCVUOGVQQDAZLW-VHSXEESVSA-N 2 0 237.347 0.182 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC000369170337 356983323 /nfs/dbraw/zinc/98/33/23/356983323.db2.gz AUVPGGOQWARENP-UHFFFAOYSA-N 2 0 241.379 0.881 20 0 BCADRP [NH3+]CCNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000418114711 356953553 /nfs/dbraw/zinc/95/35/53/356953553.db2.gz MGMPILQINPHFPS-NSHDSACASA-N 2 0 240.351 0.261 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CC2(O)CCOCC2)CC[N@@H+]1C ZINC000156229292 538773747 /nfs/dbraw/zinc/77/37/47/538773747.db2.gz VGABKGIPKLHBBG-NWDGAFQWSA-N 2 0 242.363 0.600 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C1(C)C[NH2+]C1 ZINC000582296120 357029755 /nfs/dbraw/zinc/02/97/55/357029755.db2.gz RAUKWEYJRGJIRF-VIFPVBQESA-N 2 0 213.325 0.086 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)CCCC[NH3+] ZINC000389859604 357055884 /nfs/dbraw/zinc/05/58/84/357055884.db2.gz CQYLFPMIMINQBY-SECBINFHSA-N 2 0 201.314 0.087 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](C)C[C@@H]1CO ZINC000639871928 357039437 /nfs/dbraw/zinc/03/94/37/357039437.db2.gz MHEDWEKRFZDYTC-CHWSQXEVSA-N 2 0 241.379 0.079 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC2(CCC2)C1 ZINC000582306426 357043010 /nfs/dbraw/zinc/04/30/10/357043010.db2.gz OQCZNWOLYYQZKZ-NSHDSACASA-N 2 0 212.337 0.833 20 0 BCADRP CN1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1=O ZINC000623393654 357003145 /nfs/dbraw/zinc/00/31/45/357003145.db2.gz MXQYWATUXDOYSM-MNOVXSKESA-N 2 0 239.363 0.680 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN(C)[C@@H]1CCOC1 ZINC000389611404 357003237 /nfs/dbraw/zinc/00/32/37/357003237.db2.gz BDZGNAZDUBFPQI-MNOVXSKESA-N 2 0 216.325 0.020 20 0 BCADRP CCN(C)C[C@H](O)C[N@H+](C)CCCOC ZINC000389707650 357017718 /nfs/dbraw/zinc/01/77/18/357017718.db2.gz LGXRFQCOZFEIKD-NSHDSACASA-N 2 0 218.341 0.267 20 0 BCADRP [NH3+]CC1(NC(=O)C[NH2+]C2CC2)CCCC1 ZINC000390529723 357101700 /nfs/dbraw/zinc/10/17/00/357101700.db2.gz IBMGGEDMCQNWNW-UHFFFAOYSA-N 2 0 211.309 0.126 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH3+] ZINC000390545067 357103583 /nfs/dbraw/zinc/10/35/83/357103583.db2.gz MNPNQLJWUQNOPG-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP C[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000390680902 357114115 /nfs/dbraw/zinc/11/41/15/357114115.db2.gz ZQXGWOPTTRKGRK-GRYCIOLGSA-N 2 0 211.353 0.655 20 0 BCADRP CC(C)[C@H](C(=O)NCC1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000582415083 357140497 /nfs/dbraw/zinc/14/04/97/357140497.db2.gz XSSDJJBMNVZAQG-JQWIXIFHSA-N 2 0 241.379 0.722 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000582419787 357143337 /nfs/dbraw/zinc/14/33/37/357143337.db2.gz HLVKSBVXNPWWBM-FOGDFJRCSA-N 2 0 235.331 0.408 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000582432050 357149016 /nfs/dbraw/zinc/14/90/16/357149016.db2.gz BKMUCTYAZAZDOT-AXFHLTTASA-N 2 0 240.351 0.165 20 0 BCADRP Cc1n[nH]c(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000392383419 357150323 /nfs/dbraw/zinc/15/03/23/357150323.db2.gz HCUPISVDBBGHCA-ONGXEEELSA-N 2 0 237.351 0.585 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H](C)C[C@@H](C)[NH3+])[NH+](C)C ZINC000583696427 357230628 /nfs/dbraw/zinc/23/06/28/357230628.db2.gz UUAYCROXSKJJNW-GMTAPVOTSA-N 2 0 229.368 0.815 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)CCC[NH3+] ZINC000393488470 357284579 /nfs/dbraw/zinc/28/45/79/357284579.db2.gz ROXTXBSXKYVRRS-UHFFFAOYSA-N 2 0 201.314 0.359 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC(=O)NCC(F)F)C1 ZINC000393688003 357292733 /nfs/dbraw/zinc/29/27/33/357292733.db2.gz IHVWGSZCXQLHAM-YUMQZZPRSA-N 2 0 235.278 0.227 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000393749049 357295553 /nfs/dbraw/zinc/29/55/53/357295553.db2.gz AOGGJJFUBDRPDH-LLVKDONJSA-N 2 0 213.325 0.244 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC(C)(C)CCC[NH3+] ZINC000393917996 357306741 /nfs/dbraw/zinc/30/67/41/357306741.db2.gz NPOPORBACMZZDM-IUCAKERBSA-N 2 0 215.341 0.603 20 0 BCADRP CCOC[C@@H]1CC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000582490294 357319633 /nfs/dbraw/zinc/31/96/33/357319633.db2.gz ACPHNMAPTHDRNC-VXGBXAGGSA-N 2 0 230.352 0.315 20 0 BCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000582493138 357320633 /nfs/dbraw/zinc/32/06/33/357320633.db2.gz XWEUEPRZMAAYHQ-UTUOFQBUSA-N 2 0 239.363 0.524 20 0 BCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000582493137 357320649 /nfs/dbraw/zinc/32/06/49/357320649.db2.gz XWEUEPRZMAAYHQ-SDDRHHMPSA-N 2 0 239.363 0.524 20 0 BCADRP [NH3+]Cc1cc(C(=O)NC2(C[NH3+])CCCC2)ccn1 ZINC000582607040 357349278 /nfs/dbraw/zinc/34/92/78/357349278.db2.gz NCFKWJXNIZKLTK-UHFFFAOYSA-N 2 0 248.330 0.542 20 0 BCADRP CCN(C)C[C@H](O)C[N@@H+]1CC[C@@](C)(COC)C1 ZINC000394479669 357351082 /nfs/dbraw/zinc/35/10/82/357351082.db2.gz CNCGXUKUQLIBBR-QWHCGFSZSA-N 2 0 244.379 0.657 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000582664218 357357798 /nfs/dbraw/zinc/35/77/98/357357798.db2.gz AOKPPGNSGPNCIB-QWRGUYRKSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)NCCC[NH2+]C1CC1 ZINC000582667372 357358578 /nfs/dbraw/zinc/35/85/78/357358578.db2.gz MQBKMSDKKHAMNU-QMMMGPOBSA-N 2 0 235.278 0.227 20 0 BCADRP C[NH2+]CC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000582784108 357392271 /nfs/dbraw/zinc/39/22/71/357392271.db2.gz GOVIOPGRKQKNGP-UHFFFAOYSA-N 2 0 235.287 0.327 20 0 BCADRP C[C@@H](CC(=O)N(C)CC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000582964064 357440034 /nfs/dbraw/zinc/44/00/34/357440034.db2.gz SYIAUBJCHWNCOS-WDEREUQCSA-N 2 0 227.352 0.429 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)[NH2+]C ZINC000583153585 357496080 /nfs/dbraw/zinc/49/60/80/357496080.db2.gz PGSXNESMXILQBY-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H](c1cccnc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397048962 357499310 /nfs/dbraw/zinc/49/93/10/357499310.db2.gz QEYZBOSAGPSVPX-NSHDSACASA-N 2 0 235.331 0.928 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000583074210 357472727 /nfs/dbraw/zinc/47/27/27/357472727.db2.gz PGPWTBUVFBYNIB-UWVGGRQHSA-N 2 0 230.356 0.409 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000583074212 357473113 /nfs/dbraw/zinc/47/31/13/357473113.db2.gz PGPWTBUVFBYNIB-ZJUUUORDSA-N 2 0 230.356 0.409 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000583082922 357474120 /nfs/dbraw/zinc/47/41/20/357474120.db2.gz RBIVSLREDIIVTE-CYBMUJFWSA-N 2 0 247.342 0.599 20 0 BCADRP Cc1ncc(C[NH+]2CCC(O)(C[NH3+])CC2)s1 ZINC000397026476 357489864 /nfs/dbraw/zinc/48/98/64/357489864.db2.gz VDSFIAKFCPNTNZ-UHFFFAOYSA-N 2 0 241.360 0.737 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000583145742 357494658 /nfs/dbraw/zinc/49/46/58/357494658.db2.gz VIMFGBWBKMDVHD-MNOVXSKESA-N 2 0 239.363 0.633 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000583145741 357494954 /nfs/dbraw/zinc/49/49/54/357494954.db2.gz VIMFGBWBKMDVHD-GHMZBOCLSA-N 2 0 239.363 0.633 20 0 BCADRP CCC[C@@](C)(O)C[NH2+][C@H](CCC[NH3+])COC ZINC000230685136 357549154 /nfs/dbraw/zinc/54/91/54/357549154.db2.gz JKMOYSSVOUIIPH-VXGBXAGGSA-N 2 0 232.368 0.881 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000082771987 491112623 /nfs/dbraw/zinc/11/26/23/491112623.db2.gz STHNFRXHDIYIJL-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CC1CC[NH+](CC(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000189008208 357600592 /nfs/dbraw/zinc/60/05/92/357600592.db2.gz CPAYLWLZLJLGGS-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)CCn1cc([C@H]2CCCC[NH2+]2)nn1 ZINC000685946661 538886207 /nfs/dbraw/zinc/88/62/07/538886207.db2.gz MBWZMLPQRDFDNQ-SNVBAGLBSA-N 2 0 223.324 0.654 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCCOCC[NH+](C)C ZINC000232612098 357669628 /nfs/dbraw/zinc/66/96/28/357669628.db2.gz SCDXWYWPYSMRTI-NSHDSACASA-N 2 0 245.367 0.054 20 0 BCADRP CC[NH+](CC(=O)NCC[N@@H+](C)CC)C1CC1 ZINC000132430534 325215908 /nfs/dbraw/zinc/21/59/08/325215908.db2.gz UQEOUXLUYNGAQT-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC1CC[NH+](C)CC1 ZINC000086068370 357815068 /nfs/dbraw/zinc/81/50/68/357815068.db2.gz BREXXFLTXRFASR-SNVBAGLBSA-N 2 0 227.352 0.300 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000192105894 357823070 /nfs/dbraw/zinc/82/30/70/357823070.db2.gz WANAKIFZQQNHHY-WDEREUQCSA-N 2 0 239.363 0.666 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(N(C)C)CCC1 ZINC000234713116 357827153 /nfs/dbraw/zinc/82/71/53/357827153.db2.gz QZYFPBVXMYLZSV-GFCCVEGCSA-N 2 0 243.395 0.814 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(CO)CCCC1 ZINC000234713037 357827260 /nfs/dbraw/zinc/82/72/60/357827260.db2.gz BDIPQVZPWTVNMP-GFCCVEGCSA-N 2 0 244.379 0.883 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000234791975 357828564 /nfs/dbraw/zinc/82/85/64/357828564.db2.gz PGSNSXXNNVOSCZ-AGIUHOORSA-N 2 0 244.379 0.881 20 0 BCADRP Cc1c[nH+]ccc1N1CC[NH+](CCCO)CC1 ZINC000192547948 357843308 /nfs/dbraw/zinc/84/33/08/357843308.db2.gz NMNCBMGXYZSJJW-UHFFFAOYSA-N 2 0 235.331 0.894 20 0 BCADRP COCCCN(C)CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000192603207 357846040 /nfs/dbraw/zinc/84/60/40/357846040.db2.gz HAWHVUVASOZZGF-CHWSQXEVSA-N 2 0 244.379 0.969 20 0 BCADRP [NH3+][C@H](C(=O)NCC[N@H+]1CC=CCC1)C1CCC1 ZINC000399052733 357894696 /nfs/dbraw/zinc/89/46/96/357894696.db2.gz WCTWMRMGGUWTJN-LBPRGKRZSA-N 2 0 237.347 0.492 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000399082183 357895843 /nfs/dbraw/zinc/89/58/43/357895843.db2.gz SJTNNHGZFJYXED-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000399066174 357894442 /nfs/dbraw/zinc/89/44/42/357894442.db2.gz MKWAWGSVVRSTSH-LBPRGKRZSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000399066170 357894542 /nfs/dbraw/zinc/89/45/42/357894542.db2.gz MKWAWGSVVRSTSH-GFCCVEGCSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+](C)CCCCNC(=O)C1(C)C[NH2+]C1 ZINC000399151560 357896492 /nfs/dbraw/zinc/89/64/92/357896492.db2.gz GMKKUKKMEDYVQH-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP CC1(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[NH2+]C1 ZINC000399232689 357899342 /nfs/dbraw/zinc/89/93/42/357899342.db2.gz GNMFUAMGGQBELF-SNVBAGLBSA-N 2 0 237.347 0.196 20 0 BCADRP CC[NH+]1CCC(CNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000399250012 357899812 /nfs/dbraw/zinc/89/98/12/357899812.db2.gz MCYRYKBTMOKKGX-UHFFFAOYSA-N 2 0 239.363 0.444 20 0 BCADRP CC(C)[C@@H](C(=O)NCCC[NH3+])[C@H](C)[NH3+] ZINC000399422134 357906324 /nfs/dbraw/zinc/90/63/24/357906324.db2.gz FTFCAZDCYSDYRS-DTWKUNHWSA-N 2 0 201.314 0.071 20 0 BCADRP C[NH2+]Cc1ccccc1NC(=O)[C@H](C)C[NH3+] ZINC000583747371 357932742 /nfs/dbraw/zinc/93/27/42/357932742.db2.gz IVONTRAAAJWADM-SECBINFHSA-N 2 0 221.304 0.939 20 0 BCADRP C[C@@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@H](C)[NH3+] ZINC000583747615 357933495 /nfs/dbraw/zinc/93/34/95/357933495.db2.gz NFBOFOFLINLVHG-VWYCJHECSA-N 2 0 227.352 0.618 20 0 BCADRP COC[C@@](C)(CO)[NH2+]CCC[NH+]1CCCCC1 ZINC000639958520 357984006 /nfs/dbraw/zinc/98/40/06/357984006.db2.gz UNXUPAGDHKYOIG-CYBMUJFWSA-N 2 0 244.379 0.849 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000584474990 357991103 /nfs/dbraw/zinc/99/11/03/357991103.db2.gz PRKGYIYDSLUGPG-GHMZBOCLSA-N 2 0 246.376 0.168 20 0 BCADRP C[C@H]1C[C@H]1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103211799 358013147 /nfs/dbraw/zinc/01/31/47/358013147.db2.gz ZFXMCWKMKBOGJH-NWDGAFQWSA-N 2 0 241.379 0.594 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000219815520 358013689 /nfs/dbraw/zinc/01/36/89/358013689.db2.gz SJCAHVFPEPQXLA-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH+](CC)CCCNC(=O)N(C)CCC[NH3+] ZINC000584519079 358029287 /nfs/dbraw/zinc/02/92/87/358029287.db2.gz XMTBCTGNFUEVJP-UHFFFAOYSA-N 2 0 244.383 0.709 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000584536753 358044928 /nfs/dbraw/zinc/04/49/28/358044928.db2.gz CUALPMOPHGFVCM-YZRBJQDESA-N 2 0 225.336 0.454 20 0 BCADRP C[NH+](C)CCCNC(=O)CC[NH2+]C1CC1 ZINC000037478132 358071710 /nfs/dbraw/zinc/07/17/10/358071710.db2.gz SFVVOZBQEBIEJE-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP NC(=O)CC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000037261978 358060804 /nfs/dbraw/zinc/06/08/04/358060804.db2.gz KXFFFKPELCIAPW-UHFFFAOYSA-N 2 0 248.330 0.515 20 0 BCADRP CN(CC[C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000583872475 358081825 /nfs/dbraw/zinc/08/18/25/358081825.db2.gz KWGWIJLCVSXWJO-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP CN(C(=O)CC[NH2+]C1CC1)C1CC[NH+](C)CC1 ZINC000037611953 358083497 /nfs/dbraw/zinc/08/34/97/358083497.db2.gz QFSOZSUFIIDVDX-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)C[NH2+]C1CC1 ZINC000037825195 358095461 /nfs/dbraw/zinc/09/54/61/358095461.db2.gz UZHUOSZCMBTALB-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000221616699 358101831 /nfs/dbraw/zinc/10/18/31/358101831.db2.gz IQUCCLUFMPQDTR-GMTAPVOTSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000584589807 358102944 /nfs/dbraw/zinc/10/29/44/358102944.db2.gz SQSLIRYMBGXYNA-ONGXEEELSA-N 2 0 225.336 0.182 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000583881748 358116624 /nfs/dbraw/zinc/11/66/24/358116624.db2.gz KJWZQAFKXFGXBF-GFCCVEGCSA-N 2 0 237.347 0.481 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000613659534 363599075 /nfs/dbraw/zinc/59/90/75/363599075.db2.gz ALSWVNOFCKPYCV-QJPTWQEYSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]1C[C@@H]1C[N@H+](C)CC(=O)N1CCN(C)CC1 ZINC000640065695 358153797 /nfs/dbraw/zinc/15/37/97/358153797.db2.gz ZSRIVVNBRVZYDB-NWDGAFQWSA-N 2 0 239.363 0.348 20 0 BCADRP C[C@H]1C[C@H]1C[N@H+](C)CC(=O)N1CCN(C)CC1 ZINC000640065696 358153977 /nfs/dbraw/zinc/15/39/77/358153977.db2.gz ZSRIVVNBRVZYDB-RYUDHWBXSA-N 2 0 239.363 0.348 20 0 BCADRP CO[C@H](C[NH3+])CC(=O)NCC1([NH3+])CCCCC1 ZINC000584719375 358161267 /nfs/dbraw/zinc/16/12/67/358161267.db2.gz QRHDYAHFTGIETD-JTQLQIEISA-N 2 0 243.351 0.128 20 0 BCADRP C[C@@H]1CCN(C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000584783015 358176669 /nfs/dbraw/zinc/17/66/69/358176669.db2.gz IOLPGLMWEAXVNW-MNOVXSKESA-N 2 0 240.351 0.023 20 0 BCADRP C[C@@H]1CN(C(=O)C[NH2+]C2CC2)C[C@@]1(C)C[NH3+] ZINC000584828586 358193321 /nfs/dbraw/zinc/19/33/21/358193321.db2.gz FNMFSYORWVWEHA-BXKDBHETSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C[NH2+]C1CC1 ZINC000040807246 358246783 /nfs/dbraw/zinc/24/67/83/358246783.db2.gz IHWDZDLVOLWODZ-UHFFFAOYSA-N 2 0 213.325 0.195 20 0 BCADRP [NH3+]CCCCNC(=O)C1([NH3+])CCCCC1 ZINC000040832478 358246789 /nfs/dbraw/zinc/24/67/89/358246789.db2.gz UIMFUIMWWLPPAU-UHFFFAOYSA-N 2 0 213.325 0.503 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC(C)(C)[NH+](C)C ZINC000040807270 358246824 /nfs/dbraw/zinc/24/68/24/358246824.db2.gz MLPSDBCHTWWWLB-UHFFFAOYSA-N 2 0 229.368 0.831 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)CC[NH2+]C1CC1 ZINC000040807254 358246968 /nfs/dbraw/zinc/24/69/68/358246968.db2.gz AOBHLCUPJNVHEF-UHFFFAOYSA-N 2 0 227.352 0.585 20 0 BCADRP COC[C@H](C)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000225713318 358331504 /nfs/dbraw/zinc/33/15/04/358331504.db2.gz AMIQBOVPCKCZJV-MNOVXSKESA-N 2 0 200.326 0.940 20 0 BCADRP Cn1ccc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000227220677 358352599 /nfs/dbraw/zinc/35/25/99/358352599.db2.gz UIXBZIJRACGORU-JQWIXIFHSA-N 2 0 222.336 0.822 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)NCCC[NH3+])cc1 ZINC000228072652 358368110 /nfs/dbraw/zinc/36/81/10/358368110.db2.gz QFENSCBBWGXPEN-NSHDSACASA-N 2 0 221.304 0.460 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000228621085 358382431 /nfs/dbraw/zinc/38/24/31/358382431.db2.gz IRHILZFQYKHCQM-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000230711441 358409837 /nfs/dbraw/zinc/40/98/37/358409837.db2.gz DTPBNZFEANKXPE-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000230710771 358410362 /nfs/dbraw/zinc/41/03/62/358410362.db2.gz HABWBQIMQBWWHR-NSHDSACASA-N 2 0 241.379 0.642 20 0 BCADRP CCOC[C@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC000229940822 358387815 /nfs/dbraw/zinc/38/78/15/358387815.db2.gz KIUHUTFACAZEJV-CYBMUJFWSA-N 2 0 244.379 0.705 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538896 358389387 /nfs/dbraw/zinc/38/93/87/358389387.db2.gz RWYFXNVGNQFAJG-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP CC[NH+]1CCC(CNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000044526724 358390115 /nfs/dbraw/zinc/39/01/15/358390115.db2.gz SXNPZGJOEVKINX-GFCCVEGCSA-N 2 0 241.379 0.818 20 0 BCADRP CC[NH+]1CCC(CNC(=O)CC[NH3+])CC1 ZINC000044518893 358390130 /nfs/dbraw/zinc/39/01/30/358390130.db2.gz VFUNSTMTURKGPN-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000044538745 358390182 /nfs/dbraw/zinc/39/01/82/358390182.db2.gz WPGGNRSQEOXZPR-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP O=C(C[NH2+]C1CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726829 358392661 /nfs/dbraw/zinc/39/26/61/358392661.db2.gz HIAKJRCWKUSBOS-SNVBAGLBSA-N 2 0 223.320 0.091 20 0 BCADRP CO[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000230316191 358397549 /nfs/dbraw/zinc/39/75/49/358397549.db2.gz KJXZPWAMAMHHED-LBPRGKRZSA-N 2 0 227.352 0.002 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000309414046 358446725 /nfs/dbraw/zinc/44/67/25/358446725.db2.gz IXLVMEVWHGQXKR-UTLUCORTSA-N 2 0 215.341 0.603 20 0 BCADRP C[NH2+]C1CC[NH+](C[C@H](C)COC)CC1 ZINC000045706698 358416151 /nfs/dbraw/zinc/41/61/51/358416151.db2.gz MMDVJMPTMUMNDO-JTQLQIEISA-N 2 0 200.326 0.953 20 0 BCADRP CC[NH+]1CCC([NH2+]CCCn2ccnn2)CC1 ZINC000126585780 358551145 /nfs/dbraw/zinc/55/11/45/358551145.db2.gz DXQKFSYIVPHHKJ-UHFFFAOYSA-N 2 0 237.351 0.742 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H](C[NH3+])C(C)C ZINC000044793402 358554017 /nfs/dbraw/zinc/55/40/17/358554017.db2.gz KSBMBHQQKSRMEC-NSHDSACASA-N 2 0 229.368 0.675 20 0 BCADRP [NH3+][C@H](C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000131673547 358688038 /nfs/dbraw/zinc/68/80/38/358688038.db2.gz KGRMHHUFDKUBGT-QWRGUYRKSA-N 2 0 219.288 0.165 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000131707154 358690885 /nfs/dbraw/zinc/69/08/85/358690885.db2.gz XRTAZBVWQHFNKJ-WDEREUQCSA-N 2 0 225.336 0.102 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559606 358694213 /nfs/dbraw/zinc/69/42/13/358694213.db2.gz IBSKSKJEBVLHKB-AXFHLTTASA-N 2 0 229.368 0.816 20 0 BCADRP CC(=O)N1CCC([NH2+][C@@H](C)CC[NH+](C)C)CC1 ZINC000049553991 358694603 /nfs/dbraw/zinc/69/46/03/358694603.db2.gz XJZGKONTFGCEIU-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559667 358695291 /nfs/dbraw/zinc/69/52/91/358695291.db2.gz RJCWQZRYXUGVFG-WDEREUQCSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000049559625 358695297 /nfs/dbraw/zinc/69/52/97/358695297.db2.gz IQZOPSKRQROCCQ-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559669 358695330 /nfs/dbraw/zinc/69/53/30/358695330.db2.gz RJCWQZRYXUGVFG-GHMZBOCLSA-N 2 0 229.368 0.816 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559773 358695356 /nfs/dbraw/zinc/69/53/56/358695356.db2.gz WOMORZQQZXYRNU-QWRGUYRKSA-N 2 0 229.368 0.960 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559632 358695424 /nfs/dbraw/zinc/69/54/24/358695424.db2.gz XKPCFEPKSPLAQH-CMPLNLGQSA-N 2 0 229.368 0.960 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000131832999 358695869 /nfs/dbraw/zinc/69/58/69/358695869.db2.gz TZDXQZLDYPOZOJ-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000131859286 358697308 /nfs/dbraw/zinc/69/73/08/358697308.db2.gz IHZFYMBRQOFPAR-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000133783728 358767236 /nfs/dbraw/zinc/76/72/36/358767236.db2.gz JWYREZNXSUNHOW-GHMZBOCLSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)CCCC[NH3+])[C@@H]1C ZINC000309456056 358708547 /nfs/dbraw/zinc/70/85/47/358708547.db2.gz NSNFBNFADZMLJX-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP CC[NH+]1CCC([NH2+]CC[C@@H](O)COC)CC1 ZINC000132349338 358719097 /nfs/dbraw/zinc/71/90/97/358719097.db2.gz ZHAGAVUOKKBEQX-GFCCVEGCSA-N 2 0 230.352 0.458 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000130183721 358738078 /nfs/dbraw/zinc/73/80/78/358738078.db2.gz FCHMZIVPZNAJNF-UWVGGRQHSA-N 2 0 243.376 0.031 20 0 BCADRP [NH3+]CCCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132910274 358739210 /nfs/dbraw/zinc/73/92/10/358739210.db2.gz VVJQTHGYTYXNMY-GHMZBOCLSA-N 2 0 225.336 0.468 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000578240108 366468320 /nfs/dbraw/zinc/46/83/20/366468320.db2.gz HOXJHKLGBVDTNR-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP Cn1cc(C[NH2+]CCC2CC[NH+](C)CC2)nn1 ZINC000135175322 358823071 /nfs/dbraw/zinc/82/30/71/358823071.db2.gz YKNUFKLSBUTZSJ-UHFFFAOYSA-N 2 0 237.351 0.637 20 0 BCADRP C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000133995861 358775291 /nfs/dbraw/zinc/77/52/91/358775291.db2.gz SBQJEUOTRAGFJL-SDDRHHMPSA-N 2 0 228.336 0.210 20 0 BCADRP CC[C@]1(C(=O)NCC[NH2+]C2CC2)CCC[NH2+]1 ZINC000134367515 358788572 /nfs/dbraw/zinc/78/85/72/358788572.db2.gz QPYLOPMOPABYIZ-GFCCVEGCSA-N 2 0 225.336 0.387 20 0 BCADRP CC[C@]1(C(=O)N2CCC[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000134366651 358788782 /nfs/dbraw/zinc/78/87/82/358788782.db2.gz YMJVFDVPFJOITL-DGCLKSJQSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000578235973 366464536 /nfs/dbraw/zinc/46/45/36/366464536.db2.gz LYZFPADKIXUKGZ-LLVKDONJSA-N 2 0 239.363 0.573 20 0 BCADRP NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000134860284 358808812 /nfs/dbraw/zinc/80/88/12/358808812.db2.gz IWKRNLBKSBHNAT-JQWIXIFHSA-N 2 0 237.347 0.420 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136200509 358868939 /nfs/dbraw/zinc/86/89/39/358868939.db2.gz BWOWURVRTPGTIM-CYBMUJFWSA-N 2 0 241.379 0.977 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000054128999 358854567 /nfs/dbraw/zinc/85/45/67/358854567.db2.gz ZWLHLHXAAAMGPT-NSHDSACASA-N 2 0 229.368 0.674 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000136808367 358887830 /nfs/dbraw/zinc/88/78/30/358887830.db2.gz ZFLCDEUJIPBFPY-WDEREUQCSA-N 2 0 237.347 0.230 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000137337253 358895527 /nfs/dbraw/zinc/89/55/27/358895527.db2.gz BTLXIDZLHVHXHM-MNOVXSKESA-N 2 0 237.347 0.230 20 0 BCADRP CNC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523875 358898918 /nfs/dbraw/zinc/89/89/18/358898918.db2.gz USGDEWUBDJGXBL-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP C[NH+]1CCC(N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000086402725 358966992 /nfs/dbraw/zinc/96/69/92/358966992.db2.gz OATUVQZPPOPFEH-CMPLNLGQSA-N 2 0 211.353 0.940 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCn2ccnc2)C1 ZINC000086403540 358967659 /nfs/dbraw/zinc/96/76/59/358967659.db2.gz KNBMMQXWCDCQTK-MNOVXSKESA-N 2 0 208.309 0.743 20 0 BCADRP Cn1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000086403543 358967965 /nfs/dbraw/zinc/96/79/65/358967965.db2.gz GRGJWXODCCJOFC-QWRGUYRKSA-N 2 0 208.309 0.780 20 0 BCADRP C[C@H](C(N)=O)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000059490912 358920545 /nfs/dbraw/zinc/92/05/45/358920545.db2.gz ZAFRWEFRTJOOHU-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000059930892 358921563 /nfs/dbraw/zinc/92/15/63/358921563.db2.gz RKMVJNPNUJUNJM-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1C[NH+](CCOCC[NH3+])C[C@@H](C)S1 ZINC000086435823 358976510 /nfs/dbraw/zinc/97/65/10/358976510.db2.gz XFGMRRKKCNYIJT-NXEZZACHSA-N 2 0 218.366 0.788 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061645176 358936706 /nfs/dbraw/zinc/93/67/06/358936706.db2.gz UJUPVMNDVGDCQY-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000177838543 134303680 /nfs/dbraw/zinc/30/36/80/134303680.db2.gz RNKNOBUKEQSHPR-OLZOCXBDSA-N 2 0 244.379 0.657 20 0 BCADRP CCOC[C@@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247009366 359183224 /nfs/dbraw/zinc/18/32/24/359183224.db2.gz QHQGYKRQQMCZLD-STQMWFEESA-N 2 0 244.379 0.657 20 0 BCADRP NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246522760 359143733 /nfs/dbraw/zinc/14/37/33/359143733.db2.gz IWKRNLBKSBHNAT-ZYHUDNBSSA-N 2 0 237.347 0.420 20 0 BCADRP COC[C@@]1(CN[C@@H](C)[C@@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000423417500 192749724 /nfs/dbraw/zinc/74/97/24/192749724.db2.gz SLWBUMZFOKQTSH-AVGNSLFASA-N 2 0 241.379 0.485 20 0 BCADRP C[C@@H](Cn1cccn1)[NH2+]CC1CC[NH2+]CC1 ZINC000086700656 359355557 /nfs/dbraw/zinc/35/55/57/359355557.db2.gz GOARTIZBCHMBEJ-NSHDSACASA-N 2 0 222.336 0.861 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(CC[NH+](C)C)C1CC1 ZINC000572282741 359349608 /nfs/dbraw/zinc/34/96/08/359349608.db2.gz LPCSMSHKFVCYBJ-JTQLQIEISA-N 2 0 227.352 0.666 20 0 BCADRP COC[C@H](C)C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000379529740 359536606 /nfs/dbraw/zinc/53/66/06/359536606.db2.gz IEBMLSOLHJNPML-MXWKQRLJSA-N 2 0 200.326 0.857 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC[C@@H]1CCC[NH2+]C1 ZINC000580431309 359542807 /nfs/dbraw/zinc/54/28/07/359542807.db2.gz ITYNYLMWEJBFJX-MNOVXSKESA-N 2 0 213.369 0.949 20 0 BCADRP CC[C@@H](CO)[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000379609505 359566204 /nfs/dbraw/zinc/56/62/04/359566204.db2.gz SHFKVNCYYWLTOG-GARJFASQSA-N 2 0 200.326 0.687 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000580429635 359546826 /nfs/dbraw/zinc/54/68/26/359546826.db2.gz XVFQGDLRCVHNHA-INTQDDNPSA-N 2 0 225.336 0.086 20 0 BCADRP C[C@H](N[C@H]1CCCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423552392 192811420 /nfs/dbraw/zinc/81/14/20/192811420.db2.gz JVLBCMVZHPALMA-SRVKXCTJSA-N 2 0 211.353 0.859 20 0 BCADRP CC(C)[C@H](C(=O)NCC[C@H]1CCC[NH2+]1)[C@@H](C)[NH3+] ZINC000423584924 192815999 /nfs/dbraw/zinc/81/59/99/192815999.db2.gz SMNZFEYEMMCXHR-UTUOFQBUSA-N 2 0 241.379 0.864 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423840445 192839593 /nfs/dbraw/zinc/83/95/93/192839593.db2.gz DZSSKZIKBDKREK-NSHDSACASA-N 2 0 227.352 0.666 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623454901 359615996 /nfs/dbraw/zinc/61/59/96/359615996.db2.gz SZUJMUSPYWWFGH-NXEZZACHSA-N 2 0 227.352 0.713 20 0 BCADRP CC(=O)[C@@](C)(O)CN(C)CCC[NH+]1CCCC1 ZINC000450904036 202306673 /nfs/dbraw/zinc/30/66/73/202306673.db2.gz MGRYTUHDIDVJOF-ZDUSSCGKSA-N 2 0 242.363 0.744 20 0 BCADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](C)O)CC1 ZINC000578499552 366580673 /nfs/dbraw/zinc/58/06/73/366580673.db2.gz QMYVXHVTJSXJMY-OLZOCXBDSA-N 2 0 243.395 0.230 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000087471632 366581266 /nfs/dbraw/zinc/58/12/66/366581266.db2.gz UFOZNFPQMHUFAZ-ZJUUUORDSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000087471652 366582995 /nfs/dbraw/zinc/58/29/95/366582995.db2.gz ZLVUYWTWISYAFJ-JTQLQIEISA-N 2 0 245.392 0.149 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000578531186 366586375 /nfs/dbraw/zinc/58/63/75/366586375.db2.gz ZBRROZVINMEUIJ-SNVBAGLBSA-N 2 0 227.352 0.429 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C1([NH+](C)C)CC1 ZINC000613862472 363671155 /nfs/dbraw/zinc/67/11/55/363671155.db2.gz YLPWLEMXGJRNCH-UHFFFAOYSA-N 2 0 241.379 0.881 20 0 BCADRP CN(C(=O)c1ccccc1CC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000578637454 366615437 /nfs/dbraw/zinc/61/54/37/366615437.db2.gz PIPQMQXSJLEVKQ-GFCCVEGCSA-N 2 0 247.342 0.622 20 0 BCADRP CCOCC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000578641413 366616803 /nfs/dbraw/zinc/61/68/03/366616803.db2.gz ZEMXANIWIOGZJA-AVGNSLFASA-N 2 0 244.379 0.846 20 0 BCADRP C[C@@H]1CN(c2ncnc(N)c2Cl)CC[C@@H]1[NH3+] ZINC000578610673 366607665 /nfs/dbraw/zinc/60/76/65/366607665.db2.gz RMCFKVMLTZQQPI-RQJHMYQMSA-N 2 0 241.726 0.886 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000578618271 366608902 /nfs/dbraw/zinc/60/89/02/366608902.db2.gz XKURZBHTNXKTTK-DCAQKATOSA-N 2 0 227.352 0.346 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCC[N@H+](C)C1 ZINC000578617010 366608947 /nfs/dbraw/zinc/60/89/47/366608947.db2.gz HYOOUIUCQDUYOS-FRRDWIJNSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000578729745 366632761 /nfs/dbraw/zinc/63/27/61/366632761.db2.gz XKIVLPFWIDTXRY-ZJUUUORDSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]([NH2+]C2CC2)C1)[C@H](C)[NH3+] ZINC000578894270 366670162 /nfs/dbraw/zinc/67/01/62/366670162.db2.gz QGHDKDNMQJQYBT-YWVKMMECSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCN2CCO[C@H](C)C2)C1 ZINC000578868055 366662219 /nfs/dbraw/zinc/66/22/19/366662219.db2.gz OBDSILKYCFJVMO-AGIUHOORSA-N 2 0 241.379 0.376 20 0 BCADRP C[C@]1(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000612925834 360196176 /nfs/dbraw/zinc/19/61/76/360196176.db2.gz ZNSPSOGOZKNFNL-NHCYSSNCSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@]1(NC(=O)NCC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000612912753 360174224 /nfs/dbraw/zinc/17/42/24/360174224.db2.gz ZUHQZTBSWLJJLR-LBPRGKRZSA-N 2 0 240.351 0.037 20 0 BCADRP C[C@@]1(NC(=O)NC2CCC([NH3+])CC2)CC[NH2+]C1 ZINC000612919471 360179174 /nfs/dbraw/zinc/17/91/74/360179174.db2.gz VHLUZGVAQWWZKX-RTYFJBAXSA-N 2 0 240.351 0.308 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612922197 360182828 /nfs/dbraw/zinc/18/28/28/360182828.db2.gz CAISQPFCVHDCLG-FOGDFJRCSA-N 2 0 240.351 0.036 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612922662 360183887 /nfs/dbraw/zinc/18/38/87/360183887.db2.gz JSMULCKDEOUQSC-MWLCHTKSSA-N 2 0 228.340 0.036 20 0 BCADRP C[C@@]1(NC(=O)NCC[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000612914573 360188953 /nfs/dbraw/zinc/18/89/53/360188953.db2.gz MJWABEASXDONGO-ZYHUDNBSSA-N 2 0 240.351 0.037 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612987521 360238902 /nfs/dbraw/zinc/23/89/02/360238902.db2.gz OPDCJOOOCHLLQW-VHSXEESVSA-N 2 0 240.351 0.117 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612996563 360249832 /nfs/dbraw/zinc/24/98/32/360249832.db2.gz QNBJPLVOCLEVRS-ZJUUUORDSA-N 2 0 240.351 0.036 20 0 BCADRP CC[C@@H](C(=O)N1CCC2(C[NH+](C)C2)C1)[NH+](C)C ZINC000614038052 363713169 /nfs/dbraw/zinc/71/31/69/363713169.db2.gz KKUQXTSIQLSSAC-NSHDSACASA-N 2 0 239.363 0.491 20 0 BCADRP CNC(=O)CC[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000095428222 360337199 /nfs/dbraw/zinc/33/71/99/360337199.db2.gz STZFYGUCVHXJNW-GFCCVEGCSA-N 2 0 249.314 0.671 20 0 BCADRP [NH3+]CCC[C@H](NC(=O)C[NH3+])c1ccccc1 ZINC000514864261 360416585 /nfs/dbraw/zinc/41/65/85/360416585.db2.gz ZVPSSUADLKLIBF-NSHDSACASA-N 2 0 221.304 0.542 20 0 BCADRP COC[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623478365 360433989 /nfs/dbraw/zinc/43/39/89/360433989.db2.gz JGZHPDWSQYRHIY-NEPJUHHUSA-N 2 0 244.379 0.846 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000060470550 360473798 /nfs/dbraw/zinc/47/37/98/360473798.db2.gz NKBHXAJPAHFVHY-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000449181283 219829946 /nfs/dbraw/zinc/82/99/46/219829946.db2.gz GIPNGCGJVAZJTL-UTUOFQBUSA-N 2 0 239.363 0.727 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000449120364 200658738 /nfs/dbraw/zinc/65/87/38/200658738.db2.gz CPHZMETUCVYFLT-CMPLNLGQSA-N 2 0 229.368 0.864 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NCC[NH2+]C ZINC000418321259 200833951 /nfs/dbraw/zinc/83/39/51/200833951.db2.gz YEYQIIVADTZAFA-VIFPVBQESA-N 2 0 216.329 0.023 20 0 BCADRP CCOC[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629389210 361035785 /nfs/dbraw/zinc/03/57/85/361035785.db2.gz WLZHCGQMQSKRQJ-JTQLQIEISA-N 2 0 216.325 0.509 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000578984431 366685420 /nfs/dbraw/zinc/68/54/20/366685420.db2.gz GWWIMZWDSGQGPL-SDDRHHMPSA-N 2 0 237.347 0.196 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578984429 366685646 /nfs/dbraw/zinc/68/56/46/366685646.db2.gz GWWIMZWDSGQGPL-IJLUTSLNSA-N 2 0 237.347 0.196 20 0 BCADRP CCCn1cc(C[NH2+]CCOCCC[NH3+])cn1 ZINC000629399475 361051125 /nfs/dbraw/zinc/05/11/25/361051125.db2.gz HMFHOXCYNNFLAO-UHFFFAOYSA-N 2 0 240.351 0.748 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])CN1C1CC1 ZINC000629401592 361051696 /nfs/dbraw/zinc/05/16/96/361051696.db2.gz TXFQOLYWJWRCEJ-VXGBXAGGSA-N 2 0 241.379 0.567 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000629401446 361051819 /nfs/dbraw/zinc/05/18/19/361051819.db2.gz AQTSKNQNMUIGEY-YPMHNXCESA-N 2 0 241.379 0.295 20 0 BCADRP CC(C)C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[NH+](C)C ZINC000424137316 200864650 /nfs/dbraw/zinc/86/46/50/200864650.db2.gz RYMFKCTUVYPVHE-MXWKQRLJSA-N 2 0 227.352 0.426 20 0 BCADRP CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424163061 200871762 /nfs/dbraw/zinc/87/17/62/200871762.db2.gz XGMZFSOLHOPRJJ-NEPJUHHUSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H](NCC1([NH3+])CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000629518938 361118763 /nfs/dbraw/zinc/11/87/63/361118763.db2.gz CTOPUYNCZQMNNY-NEPJUHHUSA-N 2 0 241.379 0.615 20 0 BCADRP [NH3+][C@H]1CCCCC[C@@H]1NCC1([NH3+])CCOCC1 ZINC000629519050 361119034 /nfs/dbraw/zinc/11/90/34/361119034.db2.gz DTWDBJXQEAXOHI-RYUDHWBXSA-N 2 0 241.379 0.744 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCOC2CCOCC2)C1 ZINC000629519616 361119175 /nfs/dbraw/zinc/11/91/75/361119175.db2.gz DVLDIWJCWKBQBC-NEPJUHHUSA-N 2 0 242.363 0.851 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1NCC1([NH3+])CCOCC1 ZINC000629519628 361119995 /nfs/dbraw/zinc/11/99/95/361119995.db2.gz BXUDCDYUNCZCMY-WDEREUQCSA-N 2 0 227.352 0.034 20 0 BCADRP C[C@H]1C[N@H+](CCOC2CCOCC2)CC[C@@H]1[NH3+] ZINC000629510264 361107107 /nfs/dbraw/zinc/10/71/07/361107107.db2.gz PDHDLIHDOQNCTF-AAEUAGOBSA-N 2 0 242.363 0.851 20 0 BCADRP [NH3+]C1(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000361738907 181324019 /nfs/dbraw/zinc/32/40/19/181324019.db2.gz FYOFBDPWYAEAHR-SRVKXCTJSA-N 2 0 249.358 0.420 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CCCC1 ZINC000368379798 181324223 /nfs/dbraw/zinc/32/42/23/181324223.db2.gz VJUUGPXUWFRGDS-VHSXEESVSA-N 2 0 223.320 0.078 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCOC1CCOCC1 ZINC000629516545 361115503 /nfs/dbraw/zinc/11/55/03/361115503.db2.gz JUOJRSAUIYVFKN-VXGBXAGGSA-N 2 0 242.363 0.851 20 0 BCADRP [NH3+]C1(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000366634185 181323863 /nfs/dbraw/zinc/32/38/63/181323863.db2.gz UVPVZEMIKJSDPH-WDEREUQCSA-N 2 0 237.347 0.468 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@H]1C[NH3+] ZINC000629528307 361134794 /nfs/dbraw/zinc/13/47/94/361134794.db2.gz WBSDWJOJBXEXBT-NNYUYHANSA-N 2 0 211.353 0.844 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000629528299 361135045 /nfs/dbraw/zinc/13/50/45/361135045.db2.gz VZVJCOQKZZWFIJ-KSSYENDESA-N 2 0 241.379 0.469 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000629528301 361135407 /nfs/dbraw/zinc/13/54/07/361135407.db2.gz VZVJCOQKZZWFIJ-UJPOAAIJSA-N 2 0 241.379 0.469 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](COC)C1CC1 ZINC000629528694 361137474 /nfs/dbraw/zinc/13/74/74/361137474.db2.gz GYOLXXQKRKNCLU-LLVKDONJSA-N 2 0 216.325 0.237 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](COC)C(C)C ZINC000629528768 361138221 /nfs/dbraw/zinc/13/82/21/361138221.db2.gz IWABKSMFZLGEIM-NSHDSACASA-N 2 0 218.341 0.483 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000629529175 361138799 /nfs/dbraw/zinc/13/87/99/361138799.db2.gz UOMIJQZTMYPPRX-JTQLQIEISA-N 2 0 226.324 0.307 20 0 BCADRP CCn1cc([C@@H](C)[NH2+]CCOCC[NH2+]C)cn1 ZINC000629528958 361138896 /nfs/dbraw/zinc/13/88/96/361138896.db2.gz OAKGLSICXPTEEM-LLVKDONJSA-N 2 0 240.351 0.790 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000629530491 361144407 /nfs/dbraw/zinc/14/44/07/361144407.db2.gz IDFNSAPPJLSSQH-OUAUKWLOSA-N 2 0 216.325 0.378 20 0 BCADRP CCn1ccnc1[C@H](C)[NH2+]CCOCC[NH2+]C ZINC000629530484 361144483 /nfs/dbraw/zinc/14/44/83/361144483.db2.gz HXBISEGRHWSOLW-NSHDSACASA-N 2 0 240.351 0.790 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000629531033 361145784 /nfs/dbraw/zinc/14/57/84/361145784.db2.gz YCPWCCFZRMKUFI-GHMZBOCLSA-N 2 0 238.335 0.715 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000629530747 361145846 /nfs/dbraw/zinc/14/58/46/361145846.db2.gz PWUPAQCMBPMUDY-VIFPVBQESA-N 2 0 212.297 0.296 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000629530784 361145848 /nfs/dbraw/zinc/14/58/48/361145848.db2.gz REGLCAKIWIZEQM-NEPJUHHUSA-N 2 0 230.352 0.770 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000629530786 361145906 /nfs/dbraw/zinc/14/59/06/361145906.db2.gz REGLCAKIWIZEQM-RYUDHWBXSA-N 2 0 230.352 0.770 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccccn1 ZINC000629529921 361146479 /nfs/dbraw/zinc/14/64/79/361146479.db2.gz QMCRWWFGDCEELL-LLVKDONJSA-N 2 0 223.320 0.968 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000629530037 361147684 /nfs/dbraw/zinc/14/76/84/361147684.db2.gz TVSVVGOXGFYDAH-RYUDHWBXSA-N 2 0 230.352 0.627 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000629531423 361148699 /nfs/dbraw/zinc/14/86/99/361148699.db2.gz KRUOTCANAVXHEP-RYUDHWBXSA-N 3 0 229.368 0.200 20 0 BCADRP CC[C@@H](NCCOCC[NH2+]C)[C@@H]1CCC[NH2+]1 ZINC000629531325 361148907 /nfs/dbraw/zinc/14/89/07/361148907.db2.gz HNZLWEQFOQDAQD-NEPJUHHUSA-N 2 0 229.368 0.343 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000629531523 361148998 /nfs/dbraw/zinc/14/89/98/361148998.db2.gz NWZVCWXWLVDHES-RWMBFGLXSA-N 3 0 241.379 0.200 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000629531364 361149259 /nfs/dbraw/zinc/14/92/59/361149259.db2.gz IIZSIOVCFMAWIK-VXGBXAGGSA-N 3 0 229.368 0.472 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629523582 361122180 /nfs/dbraw/zinc/12/21/80/361122180.db2.gz HVHGGWZCTSUZIM-NAKRPEOUSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H]([NH2+]C[C@H]1COCCN1)C1CC[NH+](C)CC1 ZINC000629533379 361160233 /nfs/dbraw/zinc/16/02/33/361160233.db2.gz XNFINGGJKPNUBI-AAEUAGOBSA-N 2 0 241.379 0.295 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000629525029 361126059 /nfs/dbraw/zinc/12/60/59/361126059.db2.gz XZRNURBBYMQLGV-GWOFURMSSA-N 2 0 225.336 0.357 20 0 BCADRP [NH3+]C1(C(=O)NCC2=CC[NH2+]CC2)CCCCC1 ZINC000336351117 181325959 /nfs/dbraw/zinc/32/59/59/181325959.db2.gz SGBGLDLMXHRTSG-UHFFFAOYSA-N 2 0 237.347 0.684 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000579006076 366694283 /nfs/dbraw/zinc/69/42/83/366694283.db2.gz DQWSZGFKYSHHRH-YPMHNXCESA-N 2 0 249.358 0.973 20 0 BCADRP Cn1cncc1CN[C@H](C[NH3+])C(C)(C)C ZINC000578991388 366688940 /nfs/dbraw/zinc/68/89/40/366688940.db2.gz APGBXTGRUPXSRG-SNVBAGLBSA-N 2 0 210.325 0.883 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000579004871 366692683 /nfs/dbraw/zinc/69/26/83/366692683.db2.gz SWOCIGTTZQJVCX-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000579006075 366693943 /nfs/dbraw/zinc/69/39/43/366693943.db2.gz DQWSZGFKYSHHRH-WCQYABFASA-N 2 0 249.358 0.973 20 0 BCADRP C[N@H+](CCCC[NH+]1CCCCC1)CC(N)=O ZINC000640530756 361302394 /nfs/dbraw/zinc/30/23/94/361302394.db2.gz CHPFXSLNHNJLRF-UHFFFAOYSA-N 2 0 227.352 0.670 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CC23CC[NH2+]CC3)CCCC1 ZINC000368644349 181328263 /nfs/dbraw/zinc/32/82/63/181328263.db2.gz CVWSPJWORUPDER-JTQLQIEISA-N 2 0 237.347 0.516 20 0 BCADRP Cc1ncc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)n1C ZINC000579130152 366720917 /nfs/dbraw/zinc/72/09/17/366720917.db2.gz NHQXLIUKUWFHON-LDYMZIIASA-N 2 0 236.319 0.343 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)[NH+](CC)CC ZINC000428378308 201011052 /nfs/dbraw/zinc/01/10/52/201011052.db2.gz UMVOBXWRSIQFIK-MNOVXSKESA-N 2 0 227.352 0.666 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000579215966 366735475 /nfs/dbraw/zinc/73/54/75/366735475.db2.gz UVPGVDIBIMEALJ-IJLUTSLNSA-N 2 0 239.363 0.633 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000579229571 366739441 /nfs/dbraw/zinc/73/94/41/366739441.db2.gz JBELVLOMCLUJIE-HBNTYKKESA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]([NH3+])C1CCC1 ZINC000579228978 366739798 /nfs/dbraw/zinc/73/97/98/366739798.db2.gz UBZFMZNGVFACLK-YWVKMMECSA-N 2 0 225.336 0.310 20 0 BCADRP COC[C@H]([NH2+]CC[C@H](C)[NH3+])C1CCOCC1 ZINC000622044722 370672596 /nfs/dbraw/zinc/67/25/96/370672596.db2.gz QESKQZIKRJSABO-JQWIXIFHSA-N 2 0 230.352 0.755 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000622044447 370673168 /nfs/dbraw/zinc/67/31/68/370673168.db2.gz FYHGCOXFSBWZAN-ZYHUDNBSSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]([NH3+])CCN[C@@H](C)c1c[nH+]ccc1N ZINC000622044967 370674115 /nfs/dbraw/zinc/67/41/15/370674115.db2.gz YXDBVQKZFGSQQC-IUCAKERBSA-N 2 0 208.309 0.882 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH2+]CC1 ZINC000428473044 201022496 /nfs/dbraw/zinc/02/24/96/201022496.db2.gz CXAZZQUQLRSCKJ-GHMZBOCLSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@H]([NH3+])CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000622045390 370680179 /nfs/dbraw/zinc/68/01/79/370680179.db2.gz QYOVQNXLTALIMF-SRVKXCTJSA-N 2 0 211.353 0.940 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428957087 201052318 /nfs/dbraw/zinc/05/23/18/201052318.db2.gz ZTVBPMIYZOVXAL-YFKTTZPYSA-N 2 0 241.379 0.864 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[NH+](C)C ZINC000428966488 201055767 /nfs/dbraw/zinc/05/57/67/201055767.db2.gz KJNGSTIWKVHTBY-UHFFFAOYSA-N 2 0 201.314 0.006 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428975276 201056152 /nfs/dbraw/zinc/05/61/52/201056152.db2.gz HENVMAJQPWKKOZ-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000429167625 201073413 /nfs/dbraw/zinc/07/34/13/201073413.db2.gz YQRPDQRAKPQQSN-IJLUTSLNSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@@H]([NH3+])CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000429030689 201060457 /nfs/dbraw/zinc/06/04/57/201060457.db2.gz RVPQVZXHTBYWED-MXWKQRLJSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000429030687 201060889 /nfs/dbraw/zinc/06/08/89/201060889.db2.gz RVPQVZXHTBYWED-HBNTYKKESA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H](C(=O)NCC12CCC[NH+]1CCC2)[NH+](C)C ZINC000614227119 363763856 /nfs/dbraw/zinc/76/38/56/363763856.db2.gz TYPOOXZXQUHLAE-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@@H](C[NH3+])C1)[NH+](CC)CC ZINC000429066301 201066756 /nfs/dbraw/zinc/06/67/56/201066756.db2.gz SRKLGVCIBXFVAE-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@H]([NH3+])C1 ZINC000429085519 201067058 /nfs/dbraw/zinc/06/70/58/201067058.db2.gz ZNONNEOFXVWFCN-MXWKQRLJSA-N 2 0 225.336 0.419 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[NH+](C)C ZINC000429176653 201077614 /nfs/dbraw/zinc/07/76/14/201077614.db2.gz YPLNIDAUQULIJF-GRYCIOLGSA-N 2 0 241.379 0.768 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000429189621 201078055 /nfs/dbraw/zinc/07/80/55/201078055.db2.gz CLKJHOKHHVAMDN-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000429189007 201078454 /nfs/dbraw/zinc/07/84/54/201078454.db2.gz ATRJMORIIAZFKA-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]C ZINC000429233207 201079982 /nfs/dbraw/zinc/07/99/82/201079982.db2.gz CUBIDZXGXQSUNR-SNVBAGLBSA-N 2 0 215.341 0.300 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000429454395 201109003 /nfs/dbraw/zinc/10/90/03/201109003.db2.gz TXKZJABWEKOZMS-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+]C)CC1 ZINC000429468799 201110430 /nfs/dbraw/zinc/11/04/30/201110430.db2.gz LGBRJHWOMPWBOZ-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000579343042 366762559 /nfs/dbraw/zinc/76/25/59/366762559.db2.gz HQYIXFZXSPBRPS-HBNTYKKESA-N 2 0 239.363 0.557 20 0 BCADRP CC[C@H](Cn1cncn1)[NH2+]CCOCCC[NH3+] ZINC000629535935 361398557 /nfs/dbraw/zinc/39/85/57/361398557.db2.gz DPFRQBVCQZJCCU-LLVKDONJSA-N 2 0 241.339 0.012 20 0 BCADRP C[C@H](NCCOCCC[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000629536266 361398647 /nfs/dbraw/zinc/39/86/47/361398647.db2.gz FTYLBYBJFSKZPF-RYUDHWBXSA-N 2 0 229.368 0.472 20 0 BCADRP C[C@@H]([NH3+])[C@H]1COCC[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629540267 361398662 /nfs/dbraw/zinc/39/86/62/361398662.db2.gz OGMGCGJSBFGVKY-UJPOAAIJSA-N 2 0 241.379 0.469 20 0 BCADRP Cc1cc([C@H](C)[NH2+]CCOCCC[NH3+])nn1C ZINC000629536662 361399463 /nfs/dbraw/zinc/39/94/63/361399463.db2.gz GUTXGFHHRWXLGC-NSHDSACASA-N 2 0 240.351 0.745 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H](C)CCC[NH3+] ZINC000579353317 366766704 /nfs/dbraw/zinc/76/67/04/366766704.db2.gz ZBHOHQHUIYBQEQ-RKDXNWHRSA-N 2 0 201.314 0.357 20 0 BCADRP Cc1noc(CCC[N@@H+]2CCC[C@H](C[NH3+])C2)n1 ZINC000579354818 366766954 /nfs/dbraw/zinc/76/69/54/366766954.db2.gz NDMRHPIFMMIJNX-LLVKDONJSA-N 2 0 238.335 0.981 20 0 BCADRP Cc1cc([C@@H](C)[NH2+]CCOCCC[NH3+])nn1C ZINC000629536650 361400117 /nfs/dbraw/zinc/40/01/17/361400117.db2.gz GUTXGFHHRWXLGC-LLVKDONJSA-N 2 0 240.351 0.745 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000629537122 361400216 /nfs/dbraw/zinc/40/02/16/361400216.db2.gz IDZZQGGDDTUFES-RWMBFGLXSA-N 3 0 241.379 0.330 20 0 BCADRP C[C@@H]([NH2+]CCOCCC[NH3+])[C@H]1CCCO1 ZINC000629537142 361400615 /nfs/dbraw/zinc/40/06/15/361400615.db2.gz JAICSHADXCNUEW-GHMZBOCLSA-N 2 0 216.325 0.509 20 0 BCADRP C[C@@H]([NH2+]CCOCCC[NH3+])[C@@H]1CCCOC1 ZINC000629537216 361401238 /nfs/dbraw/zinc/40/12/38/361401238.db2.gz JBPMNTIYZOPYKY-VXGBXAGGSA-N 2 0 230.352 0.757 20 0 BCADRP CC[C@H](C(=O)N1CC[NH2+][C@@H](C)C1)[NH+](CC)CC ZINC000429344195 201101942 /nfs/dbraw/zinc/10/19/42/201101942.db2.gz IAKKEQVZPUNNIZ-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000629539217 361403445 /nfs/dbraw/zinc/40/34/45/361403445.db2.gz OUIYWKGHCPGBOV-QWRGUYRKSA-N 3 0 215.341 0.211 20 0 BCADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccnn1C ZINC000629538405 361403857 /nfs/dbraw/zinc/40/38/57/361403857.db2.gz MPPCPECUBZLXLI-SNVBAGLBSA-N 2 0 226.324 0.436 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000629538834 361403921 /nfs/dbraw/zinc/40/39/21/361403921.db2.gz OUIYWKGHCPGBOV-GHMZBOCLSA-N 3 0 215.341 0.211 20 0 BCADRP COC[C@H](CCC[NH3+])N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629538828 361403944 /nfs/dbraw/zinc/40/39/44/361403944.db2.gz LHRASNYROWZWAK-UTUOFQBUSA-N 2 0 229.368 0.470 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000429552117 201115668 /nfs/dbraw/zinc/11/56/68/201115668.db2.gz IALWHJAWVRJFPM-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@@H](C(=O)N[C@H](C[NH3+])C1CC1)[NH+](CC)CC ZINC000429557920 201116134 /nfs/dbraw/zinc/11/61/34/201116134.db2.gz DDPUOSSTCVVWFV-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H](Cn1cccn1)[NH2+]CCOCCC[NH3+] ZINC000629541070 361415643 /nfs/dbraw/zinc/41/56/43/361415643.db2.gz XBIHQGCKHHDZFH-NSHDSACASA-N 2 0 226.324 0.227 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000629540169 361414632 /nfs/dbraw/zinc/41/46/32/361414632.db2.gz UULOKZPHONCQEM-NWDGAFQWSA-N 2 0 229.368 0.601 20 0 BCADRP CO[C@@H]1CCC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629540668 361415400 /nfs/dbraw/zinc/41/54/00/361415400.db2.gz WJLLQQHWKXNQAJ-NWDGAFQWSA-N 2 0 230.352 0.899 20 0 BCADRP CO[C@H]1CCC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629540669 361415461 /nfs/dbraw/zinc/41/54/61/361415461.db2.gz WJLLQQHWKXNQAJ-RYUDHWBXSA-N 2 0 230.352 0.899 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629534578 361407525 /nfs/dbraw/zinc/40/75/25/361407525.db2.gz AHDGTHAIUCBEBD-NXEZZACHSA-N 3 0 203.330 0.067 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000579471825 366819618 /nfs/dbraw/zinc/81/96/18/366819618.db2.gz ASEDCELMLNXHDK-QJPTWQEYSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)[C@@H](C(=O)N(C)CC[NH3+])[C@H](C)[NH3+] ZINC000579472921 366820946 /nfs/dbraw/zinc/82/09/46/366820946.db2.gz WSEJJPYKYIBHTR-DTWKUNHWSA-N 2 0 201.314 0.023 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC1(C)CC[NH2+]CC1 ZINC000579475083 366822255 /nfs/dbraw/zinc/82/22/55/366822255.db2.gz IXTHELQBNZRDJM-VIFPVBQESA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)CC[NH2+]1 ZINC000579475696 366823612 /nfs/dbraw/zinc/82/36/12/366823612.db2.gz GKPLALQYHAEVBD-OPRDCNLKSA-N 2 0 227.352 0.617 20 0 BCADRP COC[C@H](CCC[NH3+])N[C@@H]1CC[NH2+][C@H]1C ZINC000629545582 361427036 /nfs/dbraw/zinc/42/70/36/361427036.db2.gz LNVCOBQLLFRRMD-GARJFASQSA-N 2 0 215.341 0.080 20 0 BCADRP C1C[C@@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C[NH2+]1 ZINC000629553614 361438947 /nfs/dbraw/zinc/43/89/47/361438947.db2.gz BMVSODYCIXCVSY-NNYUYHANSA-N 3 0 209.337 0.326 20 0 BCADRP C1C[NH2+][C@H]([C@H]2CCC[C@H]2N[C@@H]2CC[NH2+]C2)C1 ZINC000629554506 361443260 /nfs/dbraw/zinc/44/32/60/361443260.db2.gz JZEJVQJIZCEFJS-FVCCEPFGSA-N 2 0 223.364 0.859 20 0 BCADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1NC[C@@H]1CCC[N@@H+]1C ZINC000629551156 361444054 /nfs/dbraw/zinc/44/40/54/361444054.db2.gz RRVPKEYWBUVIMU-WUHRBBMRSA-N 2 0 241.379 0.423 20 0 BCADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])C1 ZINC000629554665 361444353 /nfs/dbraw/zinc/44/43/53/361444353.db2.gz MPTWSHVVEIRPEV-UJPOAAIJSA-N 2 0 242.363 0.753 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000629555821 361448216 /nfs/dbraw/zinc/44/82/16/361448216.db2.gz FWQNFABSMQBNFZ-UMNHJUIQSA-N 2 0 239.363 0.855 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOCCC[NH3+])[C@@H](C)C1 ZINC000629541603 361416487 /nfs/dbraw/zinc/41/64/87/361416487.db2.gz RVJVSKZFMJTSRG-QWHCGFSZSA-N 3 0 243.395 0.672 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000629541315 361416912 /nfs/dbraw/zinc/41/69/12/361416912.db2.gz YHWZGLMFKHTRCY-WDEREUQCSA-N 3 0 215.341 0.069 20 0 BCADRP C[C@@H]1CC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C[NH2+]1 ZINC000629542014 361418208 /nfs/dbraw/zinc/41/82/08/361418208.db2.gz WRZRIRZSOWQVPQ-RHYQMDGZSA-N 2 0 211.353 0.986 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CCOC(C)C ZINC000629568368 361460672 /nfs/dbraw/zinc/46/06/72/361460672.db2.gz UGAXUIFDNZLXQF-UHFFFAOYSA-N 2 0 218.341 0.579 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CCn1cccn1 ZINC000629569752 361461786 /nfs/dbraw/zinc/46/17/86/361461786.db2.gz FFJHWSVUQCXDPI-UHFFFAOYSA-N 2 0 226.324 0.051 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1C[C@@H]1C ZINC000629572402 361463746 /nfs/dbraw/zinc/46/37/46/361463746.db2.gz RTSYVEXJZASIES-WDEREUQCSA-N 2 0 200.326 0.810 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000629572401 361463967 /nfs/dbraw/zinc/46/39/67/361463967.db2.gz RTSYVEXJZASIES-QWRGUYRKSA-N 2 0 200.326 0.810 20 0 BCADRP CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000629576565 361465545 /nfs/dbraw/zinc/46/55/45/361465545.db2.gz APMFICZVVYDDCG-LLVKDONJSA-N 2 0 245.367 0.149 20 0 BCADRP Cc1cnccc1C[N@H+](C)CCOCC[NH3+] ZINC000629580379 361466517 /nfs/dbraw/zinc/46/65/17/361466517.db2.gz ABKBWRYBMCGFBY-UHFFFAOYSA-N 2 0 223.320 0.797 20 0 BCADRP Cc1noc(CCC[N@@H+](C)CCOCC[NH3+])n1 ZINC000629577804 361467328 /nfs/dbraw/zinc/46/73/28/361467328.db2.gz JGTZDGGMIREMGI-UHFFFAOYSA-N 2 0 242.323 0.218 20 0 BCADRP CCn1cc(CC[N@H+](C)CCOCC[NH3+])cn1 ZINC000629581342 361470867 /nfs/dbraw/zinc/47/08/67/361470867.db2.gz WTERVVCJEDBSQO-UHFFFAOYSA-N 2 0 240.351 0.353 20 0 BCADRP Cc1nnc([C@@H](C)N(C)CCOCC[NH3+])[nH]1 ZINC000629581029 361471062 /nfs/dbraw/zinc/47/10/62/361471062.db2.gz KFYTWHAFEHDIMH-MRVPVSSYSA-N 2 0 227.312 0.081 20 0 BCADRP C[N@H+](CCOCC[NH3+])CC[C@@H]1CCCCO1 ZINC000629581373 361471391 /nfs/dbraw/zinc/47/13/91/361471391.db2.gz YLDLTZSZIZTWMV-LBPRGKRZSA-N 2 0 230.352 0.853 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000433169228 201162614 /nfs/dbraw/zinc/16/26/14/201162614.db2.gz VUNRRPMYQZRMHE-GHMZBOCLSA-N 2 0 227.352 0.557 20 0 BCADRP CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000629595546 361482308 /nfs/dbraw/zinc/48/23/08/361482308.db2.gz SACJWTSROJTROL-STQMWFEESA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]CCCN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562992 361457039 /nfs/dbraw/zinc/45/70/39/361457039.db2.gz ORPYLSWOUMKNKN-BDAKNGLRSA-N 2 0 239.285 0.794 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]C)C1)[NH+](C)C ZINC000629612339 361498234 /nfs/dbraw/zinc/49/82/34/361498234.db2.gz CSKMZXNTKARYLD-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP CC[C@@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)[NH+](C)C ZINC000629612702 361498791 /nfs/dbraw/zinc/49/87/91/361498791.db2.gz GKFSNMJRNAZIOM-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H](C(=O)N[C@@H](C)CCC[NH3+])[NH+](C)C ZINC000629612586 361499035 /nfs/dbraw/zinc/49/90/35/361499035.db2.gz DQNYEWCWYQKUHL-UWVGGRQHSA-N 2 0 215.341 0.570 20 0 BCADRP CC[C@@H](C(=O)NCCC[NH2+]C(C)C)[NH+](C)C ZINC000629612631 361499369 /nfs/dbraw/zinc/49/93/69/361499369.db2.gz FYFCXMXDBSIHFQ-NSHDSACASA-N 2 0 229.368 0.831 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](CC)[NH+](C)C ZINC000629611718 361501480 /nfs/dbraw/zinc/50/14/80/361501480.db2.gz BZDBHOOKCYHYNU-GHMZBOCLSA-N 2 0 229.368 0.960 20 0 BCADRP CC[C@H](C(=O)NCCC[NH2+]C)[NH+](C)C ZINC000629611297 361501807 /nfs/dbraw/zinc/50/18/07/361501807.db2.gz QYUNTZORPWVVBG-SECBINFHSA-N 2 0 201.314 0.052 20 0 BCADRP CC[C@H](C(=O)NCC1(C)CC[NH2+]CC1)[NH+](C)C ZINC000629611741 361501881 /nfs/dbraw/zinc/50/18/81/361501881.db2.gz DJHADWZRZVIRBH-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CO[C@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629614667 361503512 /nfs/dbraw/zinc/50/35/12/361503512.db2.gz BHXHYJPWRNSUMI-IJLUTSLNSA-N 2 0 228.336 0.210 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)[NH+](C)C ZINC000629615385 361504105 /nfs/dbraw/zinc/50/41/05/361504105.db2.gz OMKTULVUTOZJSH-GRYCIOLGSA-N 2 0 241.379 0.770 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1)[NH+](C)C ZINC000629613748 361507581 /nfs/dbraw/zinc/50/75/81/361507581.db2.gz SAZQKOFLEAVCAW-GRYCIOLGSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)[NH+](C)C ZINC000629613639 361508129 /nfs/dbraw/zinc/50/81/29/361508129.db2.gz PZUXJAVEPJMLJU-LOWVWBTDSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@H](C(=O)N[C@H](C)CC[NH3+])[NH+](C)C ZINC000629612267 361497758 /nfs/dbraw/zinc/49/77/58/361497758.db2.gz ZWBZDJPTFNZDSF-RKDXNWHRSA-N 2 0 201.314 0.180 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC[C@@]1(C)CC[NH2+]C1 ZINC000629654980 361558547 /nfs/dbraw/zinc/55/85/47/361558547.db2.gz VCKANDGEKDTSHC-TUAOUCFPSA-N 2 0 211.353 0.716 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000629655437 361560143 /nfs/dbraw/zinc/56/01/43/361560143.db2.gz WVMIHUNQLZWVRE-WHOHXGKFSA-N 2 0 211.353 0.715 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC[C@]12C[C@H]1C[NH2+]C2 ZINC000629655497 361560544 /nfs/dbraw/zinc/56/05/44/361560544.db2.gz YESFITDHRBYSAI-NNYUYHANSA-N 2 0 209.337 0.326 20 0 BCADRP Cc1cnccc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000629656053 361561561 /nfs/dbraw/zinc/56/15/61/361561561.db2.gz ZWQHZMGJMXVYPU-UHFFFAOYSA-N 2 0 248.374 0.775 20 0 BCADRP CCOC1CC(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000309956856 491158848 /nfs/dbraw/zinc/15/88/48/491158848.db2.gz IREBULJTTNPAII-QZQSVVMZSA-N 2 0 224.348 0.953 20 0 BCADRP [NH3+][C@@H]1CN(CC2=CCCOC2)CC[C@H]1F ZINC000629649492 361544807 /nfs/dbraw/zinc/54/48/07/361544807.db2.gz CKGXETVSSCBUFU-GHMZBOCLSA-N 2 0 214.284 0.704 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070578144 361569996 /nfs/dbraw/zinc/56/99/96/361569996.db2.gz PZZONAWMASKUIG-ZYGVAYEYSA-N 2 0 239.363 0.890 20 0 BCADRP C[C@@H]1C[C@H]1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629653488 361552717 /nfs/dbraw/zinc/55/27/17/361552717.db2.gz OQCHBYVYXQGLPW-SFYZADRCSA-N 2 0 222.292 0.387 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000629653184 361552956 /nfs/dbraw/zinc/55/29/56/361552956.db2.gz HSTSBYPFUDMAGI-OLZOCXBDSA-N 3 0 243.395 0.542 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)Cc1c[nH]nc1C ZINC000629653491 361553258 /nfs/dbraw/zinc/55/32/58/361553258.db2.gz OQMXQRSBZKOGCQ-UHFFFAOYSA-N 2 0 226.324 0.386 20 0 BCADRP C[C@]1(CNCC2([NH3+])CCOCC2)CC[NH2+]C1 ZINC000629653519 361553280 /nfs/dbraw/zinc/55/32/80/361553280.db2.gz IQCUILBIUJMNAS-NSHDSACASA-N 2 0 227.352 0.084 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CC(C)(C)COC ZINC000629653653 361553335 /nfs/dbraw/zinc/55/33/35/361553335.db2.gz LBWSRDMMRCZENX-UHFFFAOYSA-N 2 0 232.368 0.827 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CC[C@@H]1CCOC1 ZINC000629654376 361554891 /nfs/dbraw/zinc/55/48/91/361554891.db2.gz QAOPRYNAOMZYST-GFCCVEGCSA-N 2 0 230.352 0.581 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CC2=CCCOC2)C1 ZINC000629651523 361557421 /nfs/dbraw/zinc/55/74/21/361557421.db2.gz IWXBFEQDQHIHDX-LLVKDONJSA-N 2 0 210.321 0.874 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@]13C[C@H]1C[NH2+]C3)C2 ZINC000629661095 361594378 /nfs/dbraw/zinc/59/43/78/361594378.db2.gz ASDKNIMEIQFFNQ-IGQOVBAYSA-N 2 0 235.375 0.527 20 0 BCADRP COCc1ccc(C[N@H+](C)CCOCC[NH3+])o1 ZINC000629661638 361594973 /nfs/dbraw/zinc/59/49/73/361594973.db2.gz BXTRHQASMVICRF-UHFFFAOYSA-N 2 0 242.319 0.833 20 0 BCADRP Cc1cn[nH]c1C[NH2+]CCOCCC[NH3+] ZINC000629677973 361600297 /nfs/dbraw/zinc/60/02/97/361600297.db2.gz JUAXAHYKBKIJKR-UHFFFAOYSA-N 2 0 212.297 0.173 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000379739502 361574474 /nfs/dbraw/zinc/57/44/74/361574474.db2.gz ZNQBGXOPSDHICA-JQWIXIFHSA-N 2 0 210.321 0.921 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]2(C)CC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000153556935 201242634 /nfs/dbraw/zinc/24/26/34/201242634.db2.gz BAQHLHDOHDXBNP-CKYFFXLPSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000434858636 201243399 /nfs/dbraw/zinc/24/33/99/201243399.db2.gz APQUTIPHXURVGP-UWVGGRQHSA-N 2 0 245.392 0.181 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@@H](C)[NH2+]1 ZINC000153798763 201249721 /nfs/dbraw/zinc/24/97/21/201249721.db2.gz KVZSSWXBTSTQAQ-OPRDCNLKSA-N 2 0 227.352 0.569 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@H](C)[NH2+]1 ZINC000153798649 201249870 /nfs/dbraw/zinc/24/98/70/201249870.db2.gz KVZSSWXBTSTQAQ-LPEHRKFASA-N 2 0 227.352 0.569 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000434697414 201233172 /nfs/dbraw/zinc/23/31/72/201233172.db2.gz ONEBIJKOORCXIB-JBLDHEPKSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CC[C@H](C)[NH3+] ZINC000434681611 201233971 /nfs/dbraw/zinc/23/39/71/201233971.db2.gz QGSIDZNKAGUJHQ-AXFHLTTASA-N 2 0 227.352 0.842 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000434712115 201235668 /nfs/dbraw/zinc/23/56/68/201235668.db2.gz UEDDKRYXIAPOLE-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000154234920 201270186 /nfs/dbraw/zinc/27/01/86/201270186.db2.gz NSWYNXPHBZHRKT-DCAQKATOSA-N 2 0 227.352 0.569 20 0 BCADRP C[N@H+](CCN1CCCC1=O)[C@H]1CCC[NH2+]CC1 ZINC000435611561 201280510 /nfs/dbraw/zinc/28/05/10/201280510.db2.gz BNKZNVVOJWVQFE-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000154618881 201285261 /nfs/dbraw/zinc/28/52/61/201285261.db2.gz JMJYSXAICQQBOT-MNOVXSKESA-N 2 0 229.368 0.544 20 0 BCADRP C[NH2+]CCC[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000435869739 201290914 /nfs/dbraw/zinc/29/09/14/201290914.db2.gz KRYDDOWIIJTOGJ-UHFFFAOYSA-N 2 0 249.358 0.974 20 0 BCADRP C[NH2+]CCC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000435876019 201294167 /nfs/dbraw/zinc/29/41/67/201294167.db2.gz GJLICEBSXIJROR-LLVKDONJSA-N 2 0 222.336 0.819 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000627244727 363848316 /nfs/dbraw/zinc/84/83/16/363848316.db2.gz GTNOZCAPTZJRTJ-XWLWVQCSSA-N 2 0 240.351 0.129 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627244735 363848323 /nfs/dbraw/zinc/84/83/23/363848323.db2.gz GVCMONOYNMAQGA-HBNTYKKESA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1(C)CC[NH2+]CC1 ZINC000627245827 363849467 /nfs/dbraw/zinc/84/94/67/363849467.db2.gz SGVJQFJELSTHBJ-VHSXEESVSA-N 2 0 240.351 0.178 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627251809 363877109 /nfs/dbraw/zinc/87/71/09/363877109.db2.gz APJQYTDMTIKSEQ-MXWKQRLJSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@]1(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC[NH2+]C1 ZINC000663013916 541321315 /nfs/dbraw/zinc/32/13/15/541321315.db2.gz HHSHWIVIQIHTSI-WXHSDQCUSA-N 2 0 237.347 0.244 20 0 BCADRP [NH3+]CC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000237979210 181353543 /nfs/dbraw/zinc/35/35/43/181353543.db2.gz CEEWATAZENRTQR-ZDUSSCGKSA-N 2 0 247.342 0.898 20 0 BCADRP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC[NH2+]CC1 ZINC000131016959 370734071 /nfs/dbraw/zinc/73/40/71/370734071.db2.gz NDFOAVAFRWWFHY-UHFFFAOYSA-N 2 0 245.326 0.725 20 0 BCADRP CC[C@@H]([NH3+])c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630604507 364328736 /nfs/dbraw/zinc/32/87/36/364328736.db2.gz AQZRBWPOVWFXPU-RKDXNWHRSA-N 2 0 209.297 0.440 20 0 BCADRP CC[C@@](C)([NH3+])c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630604485 364328851 /nfs/dbraw/zinc/32/88/51/364328851.db2.gz ALRSSPWUMSMGEW-GXSJLCMTSA-N 2 0 223.324 0.614 20 0 BCADRP c1c(CC[NH+]2CCCCC2)nnn1CC1C[NH2+]C1 ZINC000630613164 364342670 /nfs/dbraw/zinc/34/26/70/364342670.db2.gz IWARQVHNNDMYEO-UHFFFAOYSA-N 2 0 249.362 0.526 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000134367118 364401759 /nfs/dbraw/zinc/40/17/59/364401759.db2.gz LCWXSHFTZPBNCX-GXSJLCMTSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]CCC[NH+]1CCCC1 ZINC000135818464 364450591 /nfs/dbraw/zinc/45/05/91/364450591.db2.gz OIMQRSPTMPPUJD-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP [NH3+]CCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370773973 181367078 /nfs/dbraw/zinc/36/70/78/181367078.db2.gz QBSVPYRWUXJCSE-TUAOUCFPSA-N 2 0 237.347 0.278 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C)[NH+](C)C ZINC000615314880 364687643 /nfs/dbraw/zinc/68/76/43/364687643.db2.gz QARFTAWPPWQJPS-QJPTWQEYSA-N 2 0 241.379 0.878 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000615310748 364685414 /nfs/dbraw/zinc/68/54/14/364685414.db2.gz XUXYPARZLJGXNB-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)C1([NH+](C)C)CC1 ZINC000615320978 364691009 /nfs/dbraw/zinc/69/10/09/364691009.db2.gz YUIMSRHOHUFUCS-WDEREUQCSA-N 2 0 239.363 0.632 20 0 BCADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C1([NH+](C)C)CC1 ZINC000615320976 364691243 /nfs/dbraw/zinc/69/12/43/364691243.db2.gz YUIMSRHOHUFUCS-MNOVXSKESA-N 2 0 239.363 0.632 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H](C)[NH+](C)C ZINC000573321851 364797956 /nfs/dbraw/zinc/79/79/56/364797956.db2.gz AIUUJWRPSYIMHR-GUBZILKMSA-N 2 0 230.356 0.362 20 0 BCADRP C[C@@H]1CCN(Cc2ccn(C)n2)C[C@@H]1C[NH3+] ZINC000167653227 364801928 /nfs/dbraw/zinc/80/19/28/364801928.db2.gz CXIULNXZDVJENK-MNOVXSKESA-N 2 0 222.336 0.837 20 0 BCADRP [NH3+]CCCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000374624423 181371159 /nfs/dbraw/zinc/37/11/59/181371159.db2.gz QCAPYURFQMUIJH-HBNTYKKESA-N 2 0 225.336 0.311 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCCC[NH2+]C1CC1 ZINC000573567030 364863454 /nfs/dbraw/zinc/86/34/54/364863454.db2.gz LYRYYERTIBCZGL-JTQLQIEISA-N 2 0 227.352 0.633 20 0 BCADRP C[NH+]1CCN(C[C@H](O)C[N@@H+]2CCC2(C)C)CC1 ZINC000573403969 364824228 /nfs/dbraw/zinc/82/42/28/364824228.db2.gz WAEGYSXLVGLJLD-LBPRGKRZSA-N 2 0 241.379 0.079 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000573442618 364833484 /nfs/dbraw/zinc/83/34/84/364833484.db2.gz MFVLQUFXOUNPDG-SSDOTTSWSA-N 2 0 237.294 0.473 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000573562648 364861835 /nfs/dbraw/zinc/86/18/35/364861835.db2.gz AGTILRWZKHFUMX-MMWGEVLESA-N 2 0 225.336 0.310 20 0 BCADRP Cc1ncc(C[NH2+][C@@H](C)CC[S@@](C)=O)n1C ZINC000573459930 364840949 /nfs/dbraw/zinc/84/09/49/364840949.db2.gz QWVVPWDICGVCPD-XXFAHNHDSA-N 2 0 243.376 0.975 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000573562646 364862121 /nfs/dbraw/zinc/86/21/21/364862121.db2.gz AGTILRWZKHFUMX-LNFKQOIKSA-N 2 0 225.336 0.310 20 0 BCADRP NCC(F)(F)C[NH2+]CC1CC[NH2+]CC1 ZINC000573488671 364845370 /nfs/dbraw/zinc/84/53/70/364845370.db2.gz BUEGHFYANOPHHR-UHFFFAOYSA-N 2 0 207.268 0.170 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000573487234 364845555 /nfs/dbraw/zinc/84/55/55/364845555.db2.gz BNMDTEZGNLUQRJ-VXGBXAGGSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC000573584110 364868886 /nfs/dbraw/zinc/86/88/86/364868886.db2.gz VPEXGZUWAGNDDU-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP [NH3+]CCCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000037816813 181371597 /nfs/dbraw/zinc/37/15/97/181371597.db2.gz PWLFVQXVNAQTMB-UHFFFAOYSA-N 2 0 225.336 0.280 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000573799636 364917595 /nfs/dbraw/zinc/91/75/95/364917595.db2.gz YLRCNBBKZFQCOU-RYUDHWBXSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000573786584 364915022 /nfs/dbraw/zinc/91/50/22/364915022.db2.gz VQHVYGJHSQYKSQ-OUJBWJOFSA-N 2 0 247.342 0.725 20 0 BCADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H](C[NH3+])C1CC1 ZINC000573682795 364892668 /nfs/dbraw/zinc/89/26/68/364892668.db2.gz ZDTIMLNPHMYSHC-LBPRGKRZSA-N 2 0 239.363 0.524 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000573844464 364929793 /nfs/dbraw/zinc/92/97/93/364929793.db2.gz WWVOEXFUVUKVDP-VHSXEESVSA-N 2 0 213.325 0.039 20 0 BCADRP C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000573862043 364933735 /nfs/dbraw/zinc/93/37/35/364933735.db2.gz CAFJLQOAXKPNJN-VWYCJHECSA-N 2 0 248.392 0.669 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000573921826 364946695 /nfs/dbraw/zinc/94/66/95/364946695.db2.gz UPVHDMNUOODPRQ-GFCCVEGCSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]([NH2+]C[C@@H](O)CN(C)C)C1CC[NH+](C)CC1 ZINC000154387324 541417245 /nfs/dbraw/zinc/41/72/45/541417245.db2.gz FAXPTYBCOPHMQV-DGCLKSJQSA-N 2 0 243.395 0.229 20 0 BCADRP C[C@@]1(C(=O)NCC[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000573942087 364952064 /nfs/dbraw/zinc/95/20/64/364952064.db2.gz DFYNKPKZWXTWBR-PWSUYJOCSA-N 2 0 225.336 0.387 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000573934040 364950822 /nfs/dbraw/zinc/95/08/22/364950822.db2.gz MKZNOGVHUIUBEO-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1C[C@H](NC(=O)CC2(C[NH3+])CC2)CC[N@@H+]1C ZINC000573962619 364954804 /nfs/dbraw/zinc/95/48/04/364954804.db2.gz LYHRFDBTUFYFGP-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000574038398 364972863 /nfs/dbraw/zinc/97/28/63/364972863.db2.gz COGYRUHUXBZZOV-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@]1(c2nc(C3([NH3+])CCC3)no2)CC[NH2+]C1 ZINC000574082286 364983380 /nfs/dbraw/zinc/98/33/80/364983380.db2.gz MUQVUYUMAWQVHQ-SNVBAGLBSA-N 2 0 222.292 0.659 20 0 BCADRP [NH3+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[NH2+]1 ZINC000357377214 181380386 /nfs/dbraw/zinc/38/03/86/181380386.db2.gz OYZFSLMRXBYOCQ-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000368430160 181381824 /nfs/dbraw/zinc/38/18/24/181381824.db2.gz UAGKVQKPOAHDNF-GHMZBOCLSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000226826790 181382191 /nfs/dbraw/zinc/38/21/91/181382191.db2.gz JGWLQEKUGGQHRC-DCAQKATOSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000368430163 181382582 /nfs/dbraw/zinc/38/25/82/181382582.db2.gz UAGKVQKPOAHDNF-WDEREUQCSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]CCN1CC[NH+](CCc2cccs2)CC1 ZINC000049829905 181391354 /nfs/dbraw/zinc/39/13/54/181391354.db2.gz GHIGNCJGSDUCFD-UHFFFAOYSA-N 2 0 239.388 0.867 20 0 BCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000574454134 365066152 /nfs/dbraw/zinc/06/61/52/365066152.db2.gz QGCGETLXGOLIMU-GRYCIOLGSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000574297589 365032534 /nfs/dbraw/zinc/03/25/34/365032534.db2.gz PCYHEHKEJFEKJZ-VHSXEESVSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000574319531 365036139 /nfs/dbraw/zinc/03/61/39/365036139.db2.gz WBFABCBTGGBXMK-HRDYMLBCSA-N 2 0 216.329 0.006 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000574320887 365036284 /nfs/dbraw/zinc/03/62/84/365036284.db2.gz LIRXFRRWMJVTBJ-VXGBXAGGSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]CCN1CCC[N@@H+](C2CCCC2)CC1 ZINC000037039725 181392388 /nfs/dbraw/zinc/39/23/88/181392388.db2.gz HJNGYUWHFXDQHL-UHFFFAOYSA-N 2 0 211.353 0.895 20 0 BCADRP CC(C)=CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000574566805 365090327 /nfs/dbraw/zinc/09/03/27/365090327.db2.gz UALQDHGRBCODDE-CYBMUJFWSA-N 2 0 241.379 0.151 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000574755970 365136335 /nfs/dbraw/zinc/13/63/35/365136335.db2.gz CGHYNASWJOUYJG-VHSXEESVSA-N 2 0 245.392 0.183 20 0 BCADRP [NH3+]CCN[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000044365011 181396395 /nfs/dbraw/zinc/39/63/95/181396395.db2.gz XKFQWRBTGQQPEP-AWEZNQCLSA-N 2 0 233.359 0.852 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000574622956 365104751 /nfs/dbraw/zinc/10/47/51/365104751.db2.gz GNRDNLAUOQWTBA-QWRGUYRKSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000574622950 365104771 /nfs/dbraw/zinc/10/47/71/365104771.db2.gz GNRDNLAUOQWTBA-GHMZBOCLSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000574635914 365108003 /nfs/dbraw/zinc/10/80/03/365108003.db2.gz XPXRYZUKLZYBAH-HBNTYKKESA-N 2 0 242.367 0.493 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000574861918 365160314 /nfs/dbraw/zinc/16/03/14/365160314.db2.gz NGLJKVQCBPEVKT-NXEZZACHSA-N 2 0 213.325 0.357 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000575045109 365176534 /nfs/dbraw/zinc/17/65/34/365176534.db2.gz PYJHDVUKXWFKKK-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000575047418 365176607 /nfs/dbraw/zinc/17/66/07/365176607.db2.gz QDCKIHZFNSGKNY-JTQLQIEISA-N 2 0 235.331 0.617 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)C[NH2+]CC1CC1 ZINC000575060573 365181931 /nfs/dbraw/zinc/18/19/31/365181931.db2.gz DJMNTJDNRYDHQK-UHFFFAOYSA-N 2 0 227.352 0.620 20 0 BCADRP [NH3+]CC[C@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC000443060345 193012400 /nfs/dbraw/zinc/01/24/00/193012400.db2.gz OVFVMELVWJEIRO-GFCCVEGCSA-N 2 0 239.363 0.670 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000574812443 365149932 /nfs/dbraw/zinc/14/99/32/365149932.db2.gz UUVDBIMFSGZKGS-ZDUSSCGKSA-N 2 0 246.314 0.320 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000575173563 365227480 /nfs/dbraw/zinc/22/74/80/365227480.db2.gz BOPZJXMEFIINHB-WRWGMCAJSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CCC[C@@H]1C[NH3+])[NH+](C)C ZINC000157751549 193023175 /nfs/dbraw/zinc/02/31/75/193023175.db2.gz BVHONIOSPQITJS-WOPDTQHZSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444164617 193037819 /nfs/dbraw/zinc/03/78/19/193037819.db2.gz GDGSOMRTVARXLM-DGCLKSJQSA-N 2 0 239.363 0.442 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000157806016 193027847 /nfs/dbraw/zinc/02/78/47/193027847.db2.gz LNDHMYNZXRPDNJ-DCAQKATOSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000659299187 541455350 /nfs/dbraw/zinc/45/53/50/541455350.db2.gz GEACWRRAANXGDN-SNVBAGLBSA-N 2 0 237.347 0.468 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CC[NH2+]1 ZINC000444177212 193039228 /nfs/dbraw/zinc/03/92/28/193039228.db2.gz SZSQZGSEQNWFMN-HBNTYKKESA-N 2 0 223.320 0.091 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444172992 193039264 /nfs/dbraw/zinc/03/92/64/193039264.db2.gz YKHOBTOQBKAGIF-DGCLKSJQSA-N 2 0 237.347 0.196 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)[C@H]1CC[NH2+]1 ZINC000444166105 193039668 /nfs/dbraw/zinc/03/96/68/193039668.db2.gz IKIQRSRFAONVIE-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)[N@@H+]1CCCC[C@@H]1C ZINC000444180231 193039671 /nfs/dbraw/zinc/03/96/71/193039671.db2.gz HDBWDEWVJIQZOX-SDDRHHMPSA-N 2 0 239.363 0.727 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000444168554 193040279 /nfs/dbraw/zinc/04/02/79/193040279.db2.gz PCSQAVOPNWGIFV-OBJOEFQTSA-N 2 0 249.358 0.293 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444172994 193040476 /nfs/dbraw/zinc/04/04/76/193040476.db2.gz YKHOBTOQBKAGIF-WCQYABFASA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444188195 193041835 /nfs/dbraw/zinc/04/18/35/193041835.db2.gz UJDKMVHJNLJKOD-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000444257667 193043008 /nfs/dbraw/zinc/04/30/08/193043008.db2.gz FGWJXMZQQVUOBJ-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP O=C(C[NH2+]CC1CC1)NCC[C@H]1CCC[NH2+]1 ZINC000444260824 193043388 /nfs/dbraw/zinc/04/33/88/193043388.db2.gz UQZZZNXPYMIYPH-LLVKDONJSA-N 2 0 225.336 0.244 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H](C)C[NH3+] ZINC000379795344 365273703 /nfs/dbraw/zinc/27/37/03/365273703.db2.gz KGONHJHZQBZWRU-WCBMZHEXSA-N 2 0 201.314 0.071 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000575182036 365230279 /nfs/dbraw/zinc/23/02/79/365230279.db2.gz QEDJDVPJYBSIIE-ZRUFSTJUSA-N 2 0 225.336 0.310 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000575745953 365349041 /nfs/dbraw/zinc/34/90/41/365349041.db2.gz OKYOSJFKRGRNIU-NEPJUHHUSA-N 2 0 241.379 0.738 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000575744811 365349332 /nfs/dbraw/zinc/34/93/32/365349332.db2.gz AFEOIPRJUHGUJP-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000575921345 365414654 /nfs/dbraw/zinc/41/46/54/365414654.db2.gz SWOLSCIHLOKHCS-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000575869627 365396446 /nfs/dbraw/zinc/39/64/46/365396446.db2.gz DTBUWLWSAXOFJN-YWVKMMECSA-N 2 0 215.341 0.746 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000579602895 366901180 /nfs/dbraw/zinc/90/11/80/366901180.db2.gz XHGMVVNSVTXQRM-VXGBXAGGSA-N 3 0 229.368 0.018 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)C[NH2+]CC1CC1 ZINC000576159526 365504645 /nfs/dbraw/zinc/50/46/45/365504645.db2.gz ZUJDQTQDEKHTPU-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000576159321 365504861 /nfs/dbraw/zinc/50/48/61/365504861.db2.gz VJGCPCYKJQCCFQ-SCZZXKLOSA-N 2 0 213.325 0.038 20 0 BCADRP CCN(CCO)CC[NH2+]Cc1ccc(C)nc1 ZINC000346262475 541468176 /nfs/dbraw/zinc/46/81/76/541468176.db2.gz ZSCVMNQXWNLVIB-UHFFFAOYSA-N 2 0 237.347 0.794 20 0 BCADRP C[C@H](C(=O)NCC[C@H]1CCC[NH2+]1)C1C[NH2+]C1 ZINC000564948491 325831784 /nfs/dbraw/zinc/83/17/84/325831784.db2.gz LVCAGFLCWRCUPJ-GXSJLCMTSA-N 2 0 225.336 0.100 20 0 BCADRP C[NH2+]CCCN(C)CCOC[C@@H]1CCCO1 ZINC000579818114 367021089 /nfs/dbraw/zinc/02/10/89/367021089.db2.gz LPLSHQOTXXKHJY-LBPRGKRZSA-N 2 0 230.352 0.723 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000579829498 367035413 /nfs/dbraw/zinc/03/54/13/367035413.db2.gz NOUHLYHMBXXWCC-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP Cc1ncc(C[NH2+]CC2(CCO)CC2)n1C ZINC000579853428 367039875 /nfs/dbraw/zinc/03/98/75/367039875.db2.gz OXTCWKTXWTZORO-UHFFFAOYSA-N 2 0 223.320 0.981 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CCCC[NH3+] ZINC000579839709 367041915 /nfs/dbraw/zinc/04/19/15/367041915.db2.gz PAKBFDWDKVIULL-FOGDFJRCSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000579859405 367055288 /nfs/dbraw/zinc/05/52/88/367055288.db2.gz QSFFTLOYYNAMJF-QWRGUYRKSA-N 2 0 227.352 0.348 20 0 BCADRP C[NH2+]CC1CCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000579950082 367097645 /nfs/dbraw/zinc/09/76/45/367097645.db2.gz RKRSUDYUKFYKJL-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC000579950093 367097685 /nfs/dbraw/zinc/09/76/85/367097685.db2.gz SJCOTYNLYBAWJV-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)CC[NH2+]C1CC1 ZINC000579972289 367099050 /nfs/dbraw/zinc/09/90/50/367099050.db2.gz SMDIEHVSACEYBC-VHSXEESVSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000579961776 367103685 /nfs/dbraw/zinc/10/36/85/367103685.db2.gz QOGJVHSMZZBNGD-RKDXNWHRSA-N 2 0 247.289 0.322 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000579961601 367104858 /nfs/dbraw/zinc/10/48/58/367104858.db2.gz MCDSYCKEXFYTEP-HHHUOAJASA-N 2 0 237.347 0.310 20 0 BCADRP C[C@@H](NC(=O)[C@@H](C[NH3+])c1ccccc1)[C@H](C)[NH3+] ZINC000580832914 367180622 /nfs/dbraw/zinc/18/06/22/367180622.db2.gz KKNBMDCSHCTYOG-UMNHJUIQSA-N 2 0 235.331 0.581 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)CC[C@@H](C)[NH3+])C1 ZINC000193170214 367154347 /nfs/dbraw/zinc/15/43/47/367154347.db2.gz OGRGYXSQANZLGD-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CC[C@H](C)[NH3+])C1 ZINC000193170669 367154522 /nfs/dbraw/zinc/15/45/22/367154522.db2.gz WIDDPOCPFOOLSR-HBNTYKKESA-N 2 0 227.352 0.700 20 0 BCADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)COC)CC1 ZINC000580889314 367197261 /nfs/dbraw/zinc/19/72/61/367197261.db2.gz XLRWKZIDLYFEBX-ZDUSSCGKSA-N 2 0 244.379 0.848 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000580951233 367214087 /nfs/dbraw/zinc/21/40/87/367214087.db2.gz DPKFBOMACQZKMY-HBNTYKKESA-N 2 0 227.352 0.631 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000580951338 367214313 /nfs/dbraw/zinc/21/43/13/367214313.db2.gz MLICUSOAQAAFCH-LLVKDONJSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]CCC(N)=O)C1 ZINC000581126897 367269577 /nfs/dbraw/zinc/26/95/77/367269577.db2.gz FXEXJDRHGOEKIZ-GFCCVEGCSA-N 2 0 241.379 0.819 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000581010776 367234380 /nfs/dbraw/zinc/23/43/80/367234380.db2.gz SYPPBDPQHZQDKC-ONGXEEELSA-N 2 0 225.336 0.100 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)CC[NH2+]C1CC1 ZINC000581022205 367240046 /nfs/dbraw/zinc/24/00/46/367240046.db2.gz NXFLWTOEAWZZBH-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]1CN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)C[C@H]1[NH3+] ZINC000581061467 367248323 /nfs/dbraw/zinc/24/83/23/367248323.db2.gz HGFHLVPTVOHHIT-SBFPOUOMSA-N 2 0 237.347 0.182 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)C2([NH3+])CCC2)C1 ZINC000581071193 367252793 /nfs/dbraw/zinc/25/27/93/367252793.db2.gz MOKDMJBHPPTXBV-SECBINFHSA-N 2 0 211.309 0.065 20 0 BCADRP CCCC[N@H+](CCO)C[C@@H](O)CN(C)CC ZINC000381105008 367349750 /nfs/dbraw/zinc/34/97/50/367349750.db2.gz YMNZLEXGNNLVCA-LBPRGKRZSA-N 2 0 232.368 0.393 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000381402225 367394684 /nfs/dbraw/zinc/39/46/84/367394684.db2.gz AQNJOSFHVIKVOM-OPRDCNLKSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000581368985 367400127 /nfs/dbraw/zinc/40/01/27/367400127.db2.gz WEXNIPANBGNCEA-GRYCIOLGSA-N 2 0 239.363 0.490 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000381441360 367404383 /nfs/dbraw/zinc/40/43/83/367404383.db2.gz ZHIXWOZXSDLZNO-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC[NH2+]C(C)(C)C ZINC000381250849 367370603 /nfs/dbraw/zinc/37/06/03/367370603.db2.gz PJCVOQKOBWHTTC-SECBINFHSA-N 2 0 215.341 0.474 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H](C)CCCC[NH3+] ZINC000381245221 367370702 /nfs/dbraw/zinc/37/07/02/367370702.db2.gz OBPDRWGIWVFPHB-NXEZZACHSA-N 2 0 215.341 0.748 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000381626480 367440753 /nfs/dbraw/zinc/44/07/53/367440753.db2.gz LEWBMYREARDMCS-VHSXEESVSA-N 2 0 213.325 0.100 20 0 BCADRP CCN(C)C(=O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381651785 367444093 /nfs/dbraw/zinc/44/40/93/367444093.db2.gz DGEANMLBCQINHI-PHIMTYICSA-N 2 0 225.336 0.006 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000381712139 367449629 /nfs/dbraw/zinc/44/96/29/367449629.db2.gz KLHWWMNGHHVGFE-ONGXEEELSA-N 2 0 213.325 0.324 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000381784995 367458045 /nfs/dbraw/zinc/45/80/45/367458045.db2.gz YQELTNROUAZZPB-BBBLOLIVSA-N 2 0 213.325 0.310 20 0 BCADRP C[NH2+]CCCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000381831245 367461001 /nfs/dbraw/zinc/46/10/01/367461001.db2.gz NSYBLITXESYKPG-FOSCPWQOSA-N 2 0 211.353 0.811 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000382555816 367538869 /nfs/dbraw/zinc/53/88/69/367538869.db2.gz JOPWTJZSYKEBCR-HBNTYKKESA-N 2 0 216.325 0.243 20 0 BCADRP COC[C@@](C)(O)C[NH2+][C@@H](C)CCC[NH3+] ZINC000382560535 367539564 /nfs/dbraw/zinc/53/95/64/367539564.db2.gz LKWYUVNIVSXGJQ-UWVGGRQHSA-N 2 0 204.314 0.101 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000382836784 367561421 /nfs/dbraw/zinc/56/14/21/367561421.db2.gz PKYHRDKXDOKMSI-STQMWFEESA-N 3 0 243.395 0.494 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000382976440 367578409 /nfs/dbraw/zinc/57/84/09/367578409.db2.gz SPOYODNJHOZELX-SCVCMEIPSA-N 2 0 239.363 0.726 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000382976434 367578606 /nfs/dbraw/zinc/57/86/06/367578606.db2.gz SPOYODNJHOZELX-JFGNBEQYSA-N 2 0 239.363 0.726 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC1=CC[NH2+]CC1 ZINC000581547678 367574734 /nfs/dbraw/zinc/57/47/34/367574734.db2.gz PDKLUHGNMPMDJS-SNVBAGLBSA-N 2 0 225.336 0.410 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000383141377 367600602 /nfs/dbraw/zinc/60/06/02/367600602.db2.gz JXOAGOQXEVHOCN-ONGXEEELSA-N 2 0 237.347 0.480 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@H+](C)C1CC1 ZINC000383203755 367607266 /nfs/dbraw/zinc/60/72/66/367607266.db2.gz XLWIDRNFXMRHMP-VIFPVBQESA-N 2 0 225.336 0.337 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000383301362 367612299 /nfs/dbraw/zinc/61/22/99/367612299.db2.gz HQKMKFLNNHYSPR-ZYHUDNBSSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)[NH+](C)C ZINC000383359387 367616337 /nfs/dbraw/zinc/61/63/37/367616337.db2.gz MZMAQVXOTYVYIU-RKDXNWHRSA-N 2 0 213.325 0.193 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000383813086 367654308 /nfs/dbraw/zinc/65/43/08/367654308.db2.gz VRZYXLTZWSOEPZ-CHWSQXEVSA-N 2 0 243.395 0.325 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000581666238 367665413 /nfs/dbraw/zinc/66/54/13/367665413.db2.gz JLDMNQORFYBXNT-MDZLAQPJSA-N 2 0 237.347 0.244 20 0 BCADRP C[NH+]1CCC(CCNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000384833569 367738513 /nfs/dbraw/zinc/73/85/13/367738513.db2.gz LZGNIGDQFKBNRB-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000581887140 367878275 /nfs/dbraw/zinc/87/82/75/367878275.db2.gz FXNYITFFBMHSPI-WDEREUQCSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000581885218 367876427 /nfs/dbraw/zinc/87/64/27/367876427.db2.gz MKGGUHISOZWGTR-MWLCHTKSSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@]1(C(=O)NCC[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000581777074 367826763 /nfs/dbraw/zinc/82/67/63/367826763.db2.gz VHHIQSJFINXBCL-WCQYABFASA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC000153780732 367909180 /nfs/dbraw/zinc/90/91/80/367909180.db2.gz ACVIOBNFJHPNPA-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]Cc1ccc(NC(=O)[C@H](C[NH3+])OC)cc1 ZINC000566250990 326024843 /nfs/dbraw/zinc/02/48/43/326024843.db2.gz NNEPMQAAZUHDBX-NSHDSACASA-N 2 0 237.303 0.318 20 0 BCADRP C[C@@H](CNC1=[NH+]CCCN1)[NH+]1CCCC1 ZINC000386429543 367970329 /nfs/dbraw/zinc/97/03/29/367970329.db2.gz LFEOWAYDMCMSGE-JTQLQIEISA-N 2 0 210.325 0.410 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000582001956 368119538 /nfs/dbraw/zinc/11/95/38/368119538.db2.gz VGUFXQXHXCMRON-MMWGEVLESA-N 2 0 240.351 0.116 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000581992694 368074915 /nfs/dbraw/zinc/07/49/15/368074915.db2.gz OLRQUMVPADYMCM-CYBMUJFWSA-N 2 0 241.379 0.880 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000581992632 368074954 /nfs/dbraw/zinc/07/49/54/368074954.db2.gz HVVQBDZLCVOYDS-DMDPSCGWSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC(C[NH+](C)C)C2)CC[N@@H+]1C ZINC000615502803 368078166 /nfs/dbraw/zinc/07/81/66/368078166.db2.gz QEQQKLUBZVIYJE-ZYHUDNBSSA-N 2 0 239.363 0.347 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC(C[NH+](C)C)C1 ZINC000615510497 368083886 /nfs/dbraw/zinc/08/38/86/368083886.db2.gz KRMQTZIVWGHOJC-UHFFFAOYSA-N 2 0 227.352 0.348 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)c1conc1C(C)(C)[NH3+] ZINC000566468760 326052247 /nfs/dbraw/zinc/05/22/47/326052247.db2.gz CDJMKCQABZMARF-ZETCQYMHSA-N 2 0 240.307 0.336 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000566716912 326076316 /nfs/dbraw/zinc/07/63/16/326076316.db2.gz PZHVXPAGQQSXCB-QWHCGFSZSA-N 2 0 243.395 0.183 20 0 BCADRP CN(C)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056525372 368471039 /nfs/dbraw/zinc/47/10/39/368471039.db2.gz DRFIWRZALRTSGJ-UHFFFAOYSA-N 2 0 241.379 0.738 20 0 BCADRP C[C@@]1(C(=O)N2CCC[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000566797207 326083633 /nfs/dbraw/zinc/08/36/33/326083633.db2.gz HLSPWAHTOGDJBC-PWSUYJOCSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])C[NH+]1CCCC1 ZINC000062082711 368574013 /nfs/dbraw/zinc/57/40/13/368574013.db2.gz HMAAGVFCXYUENZ-AXFHLTTASA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)C[C@H](CNC1=[NH+]CCCN1)[NH+](C)C ZINC000066245052 368642522 /nfs/dbraw/zinc/64/25/22/368642522.db2.gz VITVBSHTBPZZJO-LLVKDONJSA-N 2 0 226.368 0.902 20 0 BCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC([NH3+])CC1 ZINC000082261716 368662224 /nfs/dbraw/zinc/66/22/24/368662224.db2.gz QCEHRAZRCCNFII-CYBMUJFWSA-N 2 0 247.342 0.506 20 0 BCADRP C[C@@H]1CN(C(=O)C[NH2+]CC2CC2)CC[C@H]1[NH3+] ZINC000567165200 326127101 /nfs/dbraw/zinc/12/71/01/326127101.db2.gz STAIGZPSOJWTPB-MWLCHTKSSA-N 2 0 225.336 0.182 20 0 BCADRP COC[C@@H]1CCN1C[C@H](O)C[N@H+](C)C(C)C ZINC000567179850 326130375 /nfs/dbraw/zinc/13/03/75/326130375.db2.gz WTHAQAOGXJBSER-NWDGAFQWSA-N 2 0 230.352 0.408 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC(C)(C)C[NH+](C)C ZINC000457243847 203026598 /nfs/dbraw/zinc/02/65/98/203026598.db2.gz QFAYUCDZIDZHJW-GHMZBOCLSA-N 2 0 241.379 0.641 20 0 BCADRP CCC[NH2+]CCNC(=O)C1CC[NH2+]CC1 ZINC000154197869 326134886 /nfs/dbraw/zinc/13/48/86/326134886.db2.gz OJABOGRWGCMNNZ-UHFFFAOYSA-N 2 0 213.325 0.102 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000457203879 203019606 /nfs/dbraw/zinc/01/96/06/203019606.db2.gz IZKUZVZCTOYTIG-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H]1CCN(C(=O)C(C)(C)[NH3+])[C@@H](C)[C@H]1[NH3+] ZINC000457368474 203047510 /nfs/dbraw/zinc/04/75/10/203047510.db2.gz ZGRCYHNLFJXNKD-CIUDSAMLSA-N 2 0 213.325 0.308 20 0 BCADRP C[C@H](CNC(=O)C(C)(C)[NH3+])[NH+]1CCCC1 ZINC000083883706 368833408 /nfs/dbraw/zinc/83/34/08/368833408.db2.gz KIOWABPSVDDTOT-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)C(=O)NCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086402287 368879538 /nfs/dbraw/zinc/87/95/38/368879538.db2.gz JGWFZNCBHXXDBG-GHMZBOCLSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000087619776 368895630 /nfs/dbraw/zinc/89/56/30/368895630.db2.gz ZBIXSFIHNFYITI-CYBMUJFWSA-N 2 0 247.342 0.551 20 0 BCADRP CCN1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000084384574 368853248 /nfs/dbraw/zinc/85/32/48/368853248.db2.gz SFYDZIZYWAJHJW-LBPRGKRZSA-N 2 0 211.353 0.624 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000567268873 326153037 /nfs/dbraw/zinc/15/30/37/326153037.db2.gz VGJNMPNQNRRYCD-SCVCMEIPSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)CC[C@@H]1[NH3+] ZINC000631822333 368976289 /nfs/dbraw/zinc/97/62/89/368976289.db2.gz ZNWDNMJVARYKHA-MXWKQRLJSA-N 2 0 235.335 0.435 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000091395031 369011757 /nfs/dbraw/zinc/01/17/57/369011757.db2.gz ZTZJYYQOXXGQCS-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP CCNC(=O)CN1CCCCC[C@H]([NH3+])C1 ZINC000631834974 369037646 /nfs/dbraw/zinc/03/76/46/369037646.db2.gz JNWHTOPQCVOGKA-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C[C@@H]2CCc3ncnn32)C1 ZINC000631835434 369043445 /nfs/dbraw/zinc/04/34/45/369043445.db2.gz UUSKAIQIAMKSBK-NEPJUHHUSA-N 2 0 249.362 0.969 20 0 BCADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)CN1C1CC1 ZINC000623663146 369080888 /nfs/dbraw/zinc/08/08/88/369080888.db2.gz ZKZTXFYIMIXBMM-DBIOUOCHSA-N 2 0 237.347 0.465 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000567383452 326180143 /nfs/dbraw/zinc/18/01/43/326180143.db2.gz AGXPSBIKCDBZMN-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333652275 181457179 /nfs/dbraw/zinc/45/71/79/181457179.db2.gz JZXKECGHFYMHIY-GHMZBOCLSA-N 2 0 240.351 0.261 20 0 BCADRP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000631840880 369311967 /nfs/dbraw/zinc/31/19/67/369311967.db2.gz VSCOAATYTSFOGK-UPJWGTAASA-N 2 0 242.363 0.709 20 0 BCADRP C(CN1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC000631852793 369419772 /nfs/dbraw/zinc/41/97/72/369419772.db2.gz DZURKESHGYQWCV-BETUJISGSA-N 2 0 223.364 0.812 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404969930 369440850 /nfs/dbraw/zinc/44/08/50/369440850.db2.gz KMQCNHPCLUTCIU-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)CC[N@@H+]1C ZINC000405427172 369459482 /nfs/dbraw/zinc/45/94/82/369459482.db2.gz HWZJCMGKDWSAPI-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC000567848655 326269986 /nfs/dbraw/zinc/26/99/86/326269986.db2.gz YDBPCFLZGZNUNC-DCAQKATOSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1CC1 ZINC000165607316 203385935 /nfs/dbraw/zinc/38/59/35/203385935.db2.gz UTNIQXVXUMCKLF-GHMZBOCLSA-N 2 0 241.379 0.816 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[NH2+][C@@H](CC)C1 ZINC000620902976 370050838 /nfs/dbraw/zinc/05/08/38/370050838.db2.gz DKRQUWAOMSSXKM-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1C[NH2+]C1 ZINC000253176743 370155963 /nfs/dbraw/zinc/15/59/63/370155963.db2.gz QAKWGDWYLJOSCB-JQWIXIFHSA-N 2 0 237.347 0.149 20 0 BCADRP C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC000631867327 370222233 /nfs/dbraw/zinc/22/22/33/370222233.db2.gz PZMUZRROSMLTBA-XQQFMLRXSA-N 2 0 223.364 0.718 20 0 BCADRP [NH3+]CCCC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000309652357 370240301 /nfs/dbraw/zinc/24/03/01/370240301.db2.gz YCNSORDJCHYFJD-ZJUUUORDSA-N 2 0 213.325 0.359 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]1CCC[NH2+]C1 ZINC000309759205 370255588 /nfs/dbraw/zinc/25/55/88/370255588.db2.gz IHDLZHPFRMLUIP-UTUOFQBUSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CCCC[NH3+] ZINC000309760654 370255957 /nfs/dbraw/zinc/25/59/57/370255957.db2.gz IPQBNYLMVMUKTF-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1CCC[NH2+]1 ZINC000309798286 370261812 /nfs/dbraw/zinc/26/18/12/370261812.db2.gz QSCJKAGSYIFVQS-NXEZZACHSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@H]1CN(C(=O)CC[NH2+]C2CC2)[C@@H](C)C[NH2+]1 ZINC000568230979 326328741 /nfs/dbraw/zinc/32/87/41/326328741.db2.gz IZBRUTSXNSYZBK-UWVGGRQHSA-N 2 0 225.336 0.337 20 0 BCADRP c1ncn(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000310572247 370353437 /nfs/dbraw/zinc/35/34/37/370353437.db2.gz OJUKWTQRBHUGAW-TXEJJXNPSA-N 2 0 235.335 0.210 20 0 BCADRP C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000631868014 370359126 /nfs/dbraw/zinc/35/91/26/370359126.db2.gz SIMOHGLQQKXPCX-TUAOUCFPSA-N 2 0 209.337 0.328 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000568247903 326334376 /nfs/dbraw/zinc/33/43/76/326334376.db2.gz AIWMRGFVJHFQJW-VPOLOUISSA-N 2 0 214.309 0.260 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CN(C)C[C@@H]2C)C1 ZINC000621387794 370330179 /nfs/dbraw/zinc/33/01/79/370330179.db2.gz OTHQWGIYCNVBKH-MVWJERBFSA-N 2 0 225.336 0.147 20 0 BCADRP C[C@]1(NC(=O)CC[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000621670948 370422020 /nfs/dbraw/zinc/42/20/20/370422020.db2.gz DFSQIGFLKIKSGK-AAEUAGOBSA-N 2 0 239.363 0.634 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621679573 370429418 /nfs/dbraw/zinc/42/94/18/370429418.db2.gz OVXSCAQAHQABJZ-LSCVPOLPSA-N 2 0 237.347 0.454 20 0 BCADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)[C@@H]1CCCC[NH2+]1)C2 ZINC000621685348 370435865 /nfs/dbraw/zinc/43/58/65/370435865.db2.gz CUGGFKHRARXNLR-NTZNESFSSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[C@@]13CC[NH2+]C3)C2 ZINC000621683303 370432766 /nfs/dbraw/zinc/43/27/66/370432766.db2.gz SYSUBIWKAZQVJL-WVWOOGAGSA-N 2 0 249.358 0.326 20 0 BCADRP [NH3+]C1(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CCCC1 ZINC000621684327 370433593 /nfs/dbraw/zinc/43/35/93/370433593.db2.gz KSEWUXQBNJFMNK-GXFFZTMASA-N 2 0 237.347 0.598 20 0 BCADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)[C@H]1CCC[NH2+]1)C2 ZINC000621683896 370433852 /nfs/dbraw/zinc/43/38/52/370433852.db2.gz DQUWNGJFIAKEIO-CKYFFXLPSA-N 2 0 223.320 0.078 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C[C@H]1CCC[NH2+]1)C2 ZINC000621684248 370433922 /nfs/dbraw/zinc/43/39/22/370433922.db2.gz JREIPFHPZMYBJV-WZRBSPASSA-N 2 0 237.347 0.468 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)F ZINC000568271026 326338366 /nfs/dbraw/zinc/33/83/66/326338366.db2.gz QUQUZFOWQQHESZ-RNFRBKRXSA-N 2 0 237.294 0.459 20 0 BCADRP C[NH2+]CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621622200 370403117 /nfs/dbraw/zinc/40/31/17/370403117.db2.gz YGPNQLTYVMHKGY-SNVBAGLBSA-N 2 0 213.325 0.102 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621620926 370405575 /nfs/dbraw/zinc/40/55/75/370405575.db2.gz MKUMAYOBFJYTFR-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621685133 370434620 /nfs/dbraw/zinc/43/46/20/370434620.db2.gz ZGMDETNWYCSDFQ-DGCLKSJQSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621621984 370406844 /nfs/dbraw/zinc/40/68/44/370406844.db2.gz PYXJUPIPCYZNAL-MNOVXSKESA-N 2 0 225.336 0.326 20 0 BCADRP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@H]1CCC[NH2+]1 ZINC000621622170 370407007 /nfs/dbraw/zinc/40/70/07/370407007.db2.gz WSMKAKGKCYWLHP-VXGBXAGGSA-N 2 0 239.363 0.634 20 0 BCADRP CN(CCC[NH3+])C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621623965 370407342 /nfs/dbraw/zinc/40/73/42/370407342.db2.gz RASUOMOJUBMHPB-NSHDSACASA-N 2 0 227.352 0.573 20 0 BCADRP [NH3+]CCCCC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684338 370434785 /nfs/dbraw/zinc/43/47/85/370434785.db2.gz KUASPLYBKCRLGV-ZYHUDNBSSA-N 2 0 225.336 0.455 20 0 BCADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C1CC[NH2+]CC1)C2 ZINC000621684467 370434795 /nfs/dbraw/zinc/43/47/95/370434795.db2.gz MVJZYZUEMJLVAW-WCQYABFASA-N 2 0 237.347 0.326 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684354 370434907 /nfs/dbraw/zinc/43/49/07/370434907.db2.gz KWWXTUBWLCNGCV-ZPFDUUQYSA-N 2 0 239.363 0.700 20 0 BCADRP [NH3+][C@@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000621652796 370412502 /nfs/dbraw/zinc/41/25/02/370412502.db2.gz GQEONJZNUXZKST-PWSUYJOCSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684386 370434993 /nfs/dbraw/zinc/43/49/93/370434993.db2.gz LSQZKWTTYFNFBS-CKYFFXLPSA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+]C1(CNC(=O)CC[C@H]2CCC[NH2+]C2)CCC1 ZINC000621654077 370414261 /nfs/dbraw/zinc/41/42/61/370414261.db2.gz PDJLJAJTHXUZAP-LLVKDONJSA-N 2 0 239.363 0.764 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621658437 370415629 /nfs/dbraw/zinc/41/56/29/370415629.db2.gz IKGBUFPGENBVCN-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621693575 370441633 /nfs/dbraw/zinc/44/16/33/370441633.db2.gz YDWKPPNDACBFIF-AAEUAGOBSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621699909 370446335 /nfs/dbraw/zinc/44/63/35/370446335.db2.gz DQQONNJXVVISQZ-GUDRVLHUSA-N 2 0 223.320 0.064 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000621702847 370449382 /nfs/dbraw/zinc/44/93/82/370449382.db2.gz IMYCLQIYMXLACE-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621686664 370436946 /nfs/dbraw/zinc/43/69/46/370436946.db2.gz WSBYPNBNJHLYFG-WXHSDQCUSA-N 2 0 239.363 0.844 20 0 BCADRP CC[NH+]1CCC(NC(=O)NCC[C@H](C)[NH3+])CC1 ZINC000621837680 370557195 /nfs/dbraw/zinc/55/71/95/370557195.db2.gz NPXDSIPEEGIHAK-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP Cc1cc(CN2CCCO[C@H](C[NH3+])C2)ccn1 ZINC000621776834 370526363 /nfs/dbraw/zinc/52/63/63/370526363.db2.gz XOLUBTRINZFPPD-CYBMUJFWSA-N 2 0 235.331 0.940 20 0 BCADRP [NH3+][C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCOC1)C2 ZINC000621782504 370532367 /nfs/dbraw/zinc/53/23/67/370532367.db2.gz PVTNDFCIIWNMTK-SRVKXCTJSA-N 2 0 210.321 0.836 20 0 BCADRP COCCN1CC[C@H]([NH2+][C@H]2C[C@H](OC)C2)C1 ZINC000623808603 371103653 /nfs/dbraw/zinc/10/36/53/371103653.db2.gz ZFCQIDAPIVWGMU-SRVKXCTJSA-N 2 0 228.336 0.474 20 0 BCADRP CC[C@@H]1C[C@H]([NH2+]CCN2CC[C@H](O)C2)CCO1 ZINC000623838413 371121468 /nfs/dbraw/zinc/12/14/68/371121468.db2.gz UJEUSZPSEMUVSU-FRRDWIJNSA-N 2 0 242.363 0.600 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000568882051 326381129 /nfs/dbraw/zinc/38/11/29/326381129.db2.gz QCIKQZQHWIFYIW-TUAOUCFPSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+][C@@H](CC(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000178806639 181537967 /nfs/dbraw/zinc/53/79/67/181537967.db2.gz QBRLMMLIUSETGG-OLZOCXBDSA-N 2 0 247.342 0.945 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCCC[NH3+] ZINC000390545170 371214459 /nfs/dbraw/zinc/21/44/59/371214459.db2.gz MQJIARWHINKEHV-UWVGGRQHSA-N 2 0 213.325 0.230 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[NH2+]CC3CC3)C[C@@H]12 ZINC000185007798 181593140 /nfs/dbraw/zinc/59/31/40/181593140.db2.gz ZZTVLPUSOXTSGT-IJLUTSLNSA-N 2 0 237.347 0.182 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000373864159 181644189 /nfs/dbraw/zinc/64/41/89/181644189.db2.gz UVYHYKFJSKKBOP-NTZNESFSSA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+][C@H]1CCC[C@@]12CCN(C(=O)[C@@H]1CCC[NH2+]1)C2 ZINC000373622130 181647414 /nfs/dbraw/zinc/64/74/14/181647414.db2.gz GZAVJNNEBSIIRW-GVXVVHGQSA-N 2 0 237.347 0.468 20 0 BCADRP c1n[nH]cc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000624213761 371399905 /nfs/dbraw/zinc/39/99/05/371399905.db2.gz CKRAJARFPZPBBS-UHFFFAOYSA-N 2 0 238.335 0.612 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)CC[N@@H+]1C ZINC000624219013 371407819 /nfs/dbraw/zinc/40/78/19/371407819.db2.gz IMDQSPQNGIAMSO-KKOKHZNYSA-N 2 0 212.337 0.830 20 0 BCADRP C[C@H]([NH3+])CN1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000631894261 371601757 /nfs/dbraw/zinc/60/17/57/371601757.db2.gz OQVAYIJQQRSPLL-WDEREUQCSA-N 2 0 219.332 0.971 20 0 BCADRP C[C@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000131849774 371696273 /nfs/dbraw/zinc/69/62/73/371696273.db2.gz DAJGHLUYDORNMI-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C[NH+](C)C ZINC000171199291 372459241 /nfs/dbraw/zinc/45/92/41/372459241.db2.gz LOIVEFRBDAXZPQ-JTQLQIEISA-N 2 0 215.341 0.395 20 0 BCADRP C[C@H](CNC(=O)C[NH+](C)C)C[NH+]1CCCCC1 ZINC000171388583 372564911 /nfs/dbraw/zinc/56/49/11/372564911.db2.gz OJLNDTCSLXUWFE-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP C[NH+](C)CC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000171385823 372565149 /nfs/dbraw/zinc/56/51/49/372565149.db2.gz XDWNBBGWWNFPRX-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+]CC1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000631821131 372595054 /nfs/dbraw/zinc/59/50/54/372595054.db2.gz PYODBRVIHPKQTO-NSHDSACASA-N 2 0 235.335 0.436 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000631821469 372595795 /nfs/dbraw/zinc/59/57/95/372595795.db2.gz ZCVXRUZGHXJQKZ-CMPLNLGQSA-N 2 0 249.362 0.825 20 0 BCADRP c1nc2n(n1)[C@H](C[N@@H+]1CC[C@]3(CC[NH2+]C3)C1)CC2 ZINC000631823433 372600022 /nfs/dbraw/zinc/60/00/22/372600022.db2.gz DNKUOXFUICSKDO-AAEUAGOBSA-N 2 0 247.346 0.451 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC000631827405 372607757 /nfs/dbraw/zinc/60/77/57/372607757.db2.gz NSAQHQKOXBTBCH-WDEREUQCSA-N 2 0 249.362 0.743 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC000631827402 372607766 /nfs/dbraw/zinc/60/77/66/372607766.db2.gz NSAQHQKOXBTBCH-GHMZBOCLSA-N 2 0 249.362 0.743 20 0 BCADRP C[C@@H]1CC[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1C[NH3+] ZINC000631828843 372608919 /nfs/dbraw/zinc/60/89/19/372608919.db2.gz ZUIAANGCMZJLGM-IJLUTSLNSA-N 2 0 249.362 0.682 20 0 BCADRP C[C@@H]1CC[N@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1C[NH3+] ZINC000631828845 372611361 /nfs/dbraw/zinc/61/13/61/372611361.db2.gz ZUIAANGCMZJLGM-WOPDTQHZSA-N 2 0 249.362 0.682 20 0 BCADRP C[C@H]1OCC[C@@H]1C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000631829621 372611425 /nfs/dbraw/zinc/61/14/25/372611425.db2.gz WHYUPSGIEMQMJQ-QTAHKJALSA-N 2 0 210.321 0.835 20 0 BCADRP [NH3+][C@H]1CCCCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000631831531 372615910 /nfs/dbraw/zinc/61/59/10/372615910.db2.gz HUPNAPFWEHFLDJ-RYUDHWBXSA-N 2 0 211.353 0.799 20 0 BCADRP [NH3+]CCOCCN1CCCCC[C@H]([NH3+])C1 ZINC000631835142 372621438 /nfs/dbraw/zinc/62/14/38/372621438.db2.gz NISWZPMYGPLYSX-NSHDSACASA-N 2 0 215.341 0.165 20 0 BCADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000631838374 372629183 /nfs/dbraw/zinc/62/91/83/372629183.db2.gz NEQAOBYSCUDFFD-ZYHUDNBSSA-N 3 0 211.353 0.513 20 0 BCADRP C[C@@H](CN1CCOCC1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837681 372629238 /nfs/dbraw/zinc/62/92/38/372629238.db2.gz VRUCXGFRLGALLN-FRRDWIJNSA-N 2 0 241.379 0.234 20 0 BCADRP COCCCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840036 372636529 /nfs/dbraw/zinc/63/65/29/372636529.db2.gz OUYJDRLELVIVHW-GHMZBOCLSA-N 2 0 200.326 0.940 20 0 BCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C[NH3+] ZINC000631841947 372639030 /nfs/dbraw/zinc/63/90/30/372639030.db2.gz SFFKLXWWAHLKHB-GHMZBOCLSA-N 2 0 225.336 0.135 20 0 BCADRP c1cc2c(cc1CN1C[C@@H]3C[C@H]1C[NH2+]3)C[NH2+]CC2 ZINC000631848341 372646134 /nfs/dbraw/zinc/64/61/34/372646134.db2.gz UXQDKUAPQRCKBX-GJZGRUSLSA-N 2 0 243.354 0.878 20 0 BCADRP O=C1[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1C1CCC1 ZINC000631825485 372604502 /nfs/dbraw/zinc/60/45/02/372604502.db2.gz KCQGUSDPHGJHBW-NTZNESFSSA-N 2 0 249.358 0.291 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)CC[C@@H]1[NH3+] ZINC000631824782 372604623 /nfs/dbraw/zinc/60/46/23/372604623.db2.gz QBDXSEYSPHXPBL-WOPDTQHZSA-N 2 0 249.362 0.825 20 0 BCADRP C[N@H+](C[C@H]1CCc2ncnn21)C1CC([NH3+])C1 ZINC000631826364 372605387 /nfs/dbraw/zinc/60/53/87/372605387.db2.gz LTDVHUMXEKLHGS-HWOCKDDLSA-N 2 0 221.308 0.187 20 0 BCADRP C[C@@H]1OCC[C@H]1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631861698 372663259 /nfs/dbraw/zinc/66/32/59/372663259.db2.gz HFGUZXLZRVJTRP-RYUDHWBXSA-N 2 0 242.363 0.458 20 0 BCADRP COCC[C@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863860 372666848 /nfs/dbraw/zinc/66/68/48/372666848.db2.gz DNZSCLCYNXIPGH-NSHDSACASA-N 2 0 230.352 0.458 20 0 BCADRP C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631891072 372686528 /nfs/dbraw/zinc/68/65/28/372686528.db2.gz VUYBRZWKMAAZRC-UPJWGTAASA-N 2 0 239.363 0.049 20 0 BCADRP C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631891071 372686838 /nfs/dbraw/zinc/68/68/38/372686838.db2.gz VUYBRZWKMAAZRC-JHJVBQTASA-N 2 0 239.363 0.049 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCC[NH2+]CC1 ZINC000364162369 182018210 /nfs/dbraw/zinc/01/82/10/182018210.db2.gz SCXMGNPLDYVWFG-QWRGUYRKSA-N 2 0 225.336 0.387 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CC12CC[NH2+]CC2 ZINC000368379793 182028373 /nfs/dbraw/zinc/02/83/73/182028373.db2.gz VIUAXJUIPVQYJU-MNOVXSKESA-N 2 0 237.347 0.387 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+]CC1 ZINC000364162366 182028509 /nfs/dbraw/zinc/02/85/09/182028509.db2.gz SCXMGNPLDYVWFG-GHMZBOCLSA-N 2 0 225.336 0.387 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632862294 373196430 /nfs/dbraw/zinc/19/64/30/373196430.db2.gz AQVSPPMBZHSXGL-VXGBXAGGSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632860674 373196482 /nfs/dbraw/zinc/19/64/82/373196482.db2.gz IQRYDQZQDBIQJA-SRVKXCTJSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000632878905 373205397 /nfs/dbraw/zinc/20/53/97/373205397.db2.gz QUGVXUIMSNUJDF-MNOVXSKESA-N 2 0 247.342 0.888 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000632878906 373205500 /nfs/dbraw/zinc/20/55/00/373205500.db2.gz QUGVXUIMSNUJDF-QWRGUYRKSA-N 2 0 247.342 0.888 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632879476 373206302 /nfs/dbraw/zinc/20/63/02/373206302.db2.gz TYUGNCHHWZPSOS-OUAUKWLOSA-N 2 0 225.336 0.182 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000449611035 205494805 /nfs/dbraw/zinc/49/48/05/205494805.db2.gz UAHJLHVIMNUKLO-NXEZZACHSA-N 2 0 229.368 0.864 20 0 BCADRP COC[C@H](C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000158849701 205505970 /nfs/dbraw/zinc/50/59/70/205505970.db2.gz CYBRFWPAUSYDFF-LBPRGKRZSA-N 2 0 230.352 0.723 20 0 BCADRP C[C@@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000633659361 373665959 /nfs/dbraw/zinc/66/59/59/373665959.db2.gz LRQVJNJDXOXWJV-WDEREUQCSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000633659360 373666440 /nfs/dbraw/zinc/66/64/40/373666440.db2.gz LRQVJNJDXOXWJV-QWRGUYRKSA-N 2 0 242.367 0.378 20 0 BCADRP O=C(NCCC[NH+]1CCCC1)[C@H]1CC[NH2+]C1 ZINC000062112684 182167683 /nfs/dbraw/zinc/16/76/83/182167683.db2.gz WPEFCWOFNUWXIN-NSHDSACASA-N 2 0 225.336 0.198 20 0 BCADRP CC[NH2+]CCCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634086251 373953371 /nfs/dbraw/zinc/95/33/71/373953371.db2.gz CWWVWVOMQPGPMY-LLVKDONJSA-N 2 0 242.367 0.427 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000131839591 182200224 /nfs/dbraw/zinc/20/02/24/182200224.db2.gz KUOUPIYBLBPUOQ-NEPJUHHUSA-N 2 0 239.363 0.634 20 0 BCADRP CC(C)(C[NH3+])NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634268498 374083562 /nfs/dbraw/zinc/08/35/62/374083562.db2.gz AQLBAFKXPHVFEV-VIFPVBQESA-N 2 0 228.340 0.165 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634268609 374082909 /nfs/dbraw/zinc/08/29/09/374082909.db2.gz BDSKDACJFCQMJF-WDEREUQCSA-N 2 0 242.367 0.555 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634269748 374083149 /nfs/dbraw/zinc/08/31/49/374083149.db2.gz IRZXAXTUYFFZBD-WDEREUQCSA-N 2 0 242.367 0.411 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634300973 374124419 /nfs/dbraw/zinc/12/44/19/374124419.db2.gz SKAZMQHWCGXAQN-VXGBXAGGSA-N 2 0 241.379 0.641 20 0 BCADRP [NH3+][C@@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)C1CC1 ZINC000634271394 374084792 /nfs/dbraw/zinc/08/47/92/374084792.db2.gz UGJNYDANYJGDEO-MNOVXSKESA-N 2 0 240.351 0.165 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000634271286 374084941 /nfs/dbraw/zinc/08/49/41/374084941.db2.gz SQTIZZSWAXRNEU-GHMZBOCLSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634271011 374084995 /nfs/dbraw/zinc/08/49/95/374084995.db2.gz QBGGQJQRTDFMTH-NXEZZACHSA-N 2 0 228.340 0.023 20 0 BCADRP [NH3+]C[C@H](NC(=O)NC[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000634271845 374086479 /nfs/dbraw/zinc/08/64/79/374086479.db2.gz WRSFWUOOEYEETP-QWRGUYRKSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634271854 374086540 /nfs/dbraw/zinc/08/65/40/374086540.db2.gz WWYCIDWWRLLLRW-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP CO[C@H](C)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000381628175 374136732 /nfs/dbraw/zinc/13/67/32/374136732.db2.gz NETWEFVFNDJIBQ-NEPJUHHUSA-N 2 0 230.352 0.458 20 0 BCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000037649600 182242834 /nfs/dbraw/zinc/24/28/34/182242834.db2.gz JHPZQRJXYCGVEL-PWSUYJOCSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1CCCCC[NH2+]1 ZINC000364463763 182237372 /nfs/dbraw/zinc/23/73/72/182237372.db2.gz GGOADKZSEDGKIO-MNOVXSKESA-N 2 0 225.336 0.387 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1CCCCC[NH2+]1 ZINC000368750308 182238023 /nfs/dbraw/zinc/23/80/23/182238023.db2.gz OJFMRLUVBNFCJG-RYUDHWBXSA-N 2 0 239.363 0.634 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]1)[C@H]1CCCCC[NH2+]1 ZINC000364463761 182238131 /nfs/dbraw/zinc/23/81/31/182238131.db2.gz GGOADKZSEDGKIO-GHMZBOCLSA-N 2 0 225.336 0.387 20 0 BCADRP C[NH2+]CCN(C)C(=O)NCC1([NH3+])CCCCC1 ZINC000418301345 205997346 /nfs/dbraw/zinc/99/73/46/205997346.db2.gz YBDSDZRURRJUFG-UHFFFAOYSA-N 2 0 242.367 0.509 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CC[NH2+]C1 ZINC000418376791 206014763 /nfs/dbraw/zinc/01/47/63/206014763.db2.gz INJZJRLKAUZLMH-ZJUUUORDSA-N 2 0 228.340 0.165 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000418376790 206015027 /nfs/dbraw/zinc/01/50/27/206015027.db2.gz INJZJRLKAUZLMH-VHSXEESVSA-N 2 0 228.340 0.165 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NC[C@H](C)C[NH2+]C ZINC000418388730 206017782 /nfs/dbraw/zinc/01/77/82/206017782.db2.gz NNFBFIKUHVCKFA-SNVBAGLBSA-N 2 0 244.383 0.659 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])c1ccccc1 ZINC000424131458 206031625 /nfs/dbraw/zinc/03/16/25/206031625.db2.gz GQNUCYQTNDFZAA-AGIUHOORSA-N 2 0 247.342 0.753 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000424130317 206031912 /nfs/dbraw/zinc/03/19/12/206031912.db2.gz HJXABNVMGASDLD-KKOKHZNYSA-N 2 0 239.363 0.570 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424125866 206033718 /nfs/dbraw/zinc/03/37/18/206033718.db2.gz AQZLUPYPGPGGHU-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCNCC1(F)F ZINC000424381563 206038948 /nfs/dbraw/zinc/03/89/48/206038948.db2.gz RABJBWKWGFMBTL-NXEZZACHSA-N 2 0 235.322 0.948 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000044726734 182301579 /nfs/dbraw/zinc/30/15/79/182301579.db2.gz LAFKLUBSYFAUAH-GHMZBOCLSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CC[NH2+]C1 ZINC000250895027 182302147 /nfs/dbraw/zinc/30/21/47/182302147.db2.gz YICSXTPPLUNQRY-TUAOUCFPSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000376528230 182304724 /nfs/dbraw/zinc/30/47/24/182304724.db2.gz UYYBDYOBHBEKIG-QJPTWQEYSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]([NH3+])CN1CC[NH+](CC2CCOCC2)CC1 ZINC000442665950 206083057 /nfs/dbraw/zinc/08/30/57/206083057.db2.gz RMZPXWXBFGSMRM-GFCCVEGCSA-N 2 0 241.379 0.378 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000449598942 206099028 /nfs/dbraw/zinc/09/90/28/206099028.db2.gz DVGOYZIOTNLMRE-NHCYSSNCSA-N 2 0 235.331 0.928 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449598153 206099087 /nfs/dbraw/zinc/09/90/87/206099087.db2.gz AZCIIMCDOPGAAC-DTWKUNHWSA-N 2 0 201.314 0.179 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449598155 206099215 /nfs/dbraw/zinc/09/92/15/206099215.db2.gz AZCIIMCDOPGAAC-RKDXNWHRSA-N 2 0 201.314 0.179 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449598152 206099235 /nfs/dbraw/zinc/09/92/35/206099235.db2.gz AZCIIMCDOPGAAC-BDAKNGLRSA-N 2 0 201.314 0.179 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CCCCC[NH2+]1 ZINC000375287147 182329086 /nfs/dbraw/zinc/32/90/86/182329086.db2.gz NKKOPVVXOBDSMM-WDEREUQCSA-N 2 0 225.336 0.387 20 0 BCADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C1C[NH2+]C1 ZINC000334150655 182334512 /nfs/dbraw/zinc/33/45/12/182334512.db2.gz JJOZXLPVLHDTGL-NSHDSACASA-N 2 0 237.347 0.339 20 0 BCADRP CC[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000356763512 170113163 /nfs/dbraw/zinc/11/31/63/170113163.db2.gz CBUZLMFOASXSHC-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP CCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724103 170266993 /nfs/dbraw/zinc/26/69/93/170266993.db2.gz YGJSKEHPOUFDMJ-WDEREUQCSA-N 2 0 228.336 0.999 20 0 BCADRP O[C@@H](C[NH2+]C1CCC(O)CC1)C[NH+]1CCCC1 ZINC000353494439 183027146 /nfs/dbraw/zinc/02/71/46/183027146.db2.gz CPLSNPFUYAEFSL-BPCQOVAHSA-N 2 0 242.363 0.336 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](C)C[NH2+]C ZINC000236831696 168962609 /nfs/dbraw/zinc/96/26/09/168962609.db2.gz CJJIAWJGCFCOPH-UWVGGRQHSA-N 2 0 215.341 0.476 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000037480658 168967431 /nfs/dbraw/zinc/96/74/31/168967431.db2.gz ZOEWDILUFVTKGX-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP OCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363413891 183056208 /nfs/dbraw/zinc/05/62/08/183056208.db2.gz IIMGOABYLYBMRS-AGIUHOORSA-N 2 0 224.348 0.785 20 0 BCADRP OCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363413892 183056987 /nfs/dbraw/zinc/05/69/87/183056987.db2.gz IIMGOABYLYBMRS-FRRDWIJNSA-N 2 0 224.348 0.785 20 0 BCADRP OCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000224122491 183078811 /nfs/dbraw/zinc/07/88/11/183078811.db2.gz IVFHBQQDANQSIB-GRYCIOLGSA-N 2 0 212.337 0.879 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000309408463 169005496 /nfs/dbraw/zinc/00/54/96/169005496.db2.gz IFDVUPHNUFNRPP-AEJSXWLSSA-N 2 0 213.325 0.452 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000353380745 169005733 /nfs/dbraw/zinc/00/57/33/169005733.db2.gz DCNGXJPKFFOFRZ-WOPDTQHZSA-N 2 0 239.363 0.572 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000336731423 169006184 /nfs/dbraw/zinc/00/61/84/169006184.db2.gz FIAUEADDAAMDHT-VIFPVBQESA-N 2 0 213.325 0.502 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000309807260 169006837 /nfs/dbraw/zinc/00/68/37/169006837.db2.gz SMOHWOJCLLHUIW-UWVGGRQHSA-N 2 0 213.325 0.357 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000336741321 169007374 /nfs/dbraw/zinc/00/73/74/169007374.db2.gz NDATXLTWNPVCPO-UWVGGRQHSA-N 2 0 213.325 0.357 20 0 BCADRP CCCN(C(=O)[C@H](C)[C@H](C)[NH3+])[C@@H]1CC[NH2+]C1 ZINC000249017679 169044471 /nfs/dbraw/zinc/04/44/71/169044471.db2.gz KJNYHLHWIDXDQC-OUAUKWLOSA-N 2 0 227.352 0.570 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000354955873 169068112 /nfs/dbraw/zinc/06/81/12/169068112.db2.gz XSFLYCXTLCEVLD-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C[NH3+])C1 ZINC000357234620 169078423 /nfs/dbraw/zinc/07/84/23/169078423.db2.gz CCOAGLCFBMBQAR-NEPJUHHUSA-N 2 0 241.379 0.772 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000353383233 169068990 /nfs/dbraw/zinc/06/89/90/169068990.db2.gz IVVGOGWKCZXQPM-VXGBXAGGSA-N 2 0 239.363 0.396 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[NH+]1CCCCC1 ZINC000358554068 169069904 /nfs/dbraw/zinc/06/99/04/169069904.db2.gz HWNFJGMZPASQDF-UHFFFAOYSA-N 2 0 241.379 0.930 20 0 BCADRP CCC[N@H+](C)CC(=O)NCCCC[NH+](C)C ZINC000355591162 169070147 /nfs/dbraw/zinc/07/01/47/169070147.db2.gz WZQDAPRRQZJVDT-UHFFFAOYSA-N 2 0 229.368 0.786 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[NH+](CC)CC ZINC000358562222 169070270 /nfs/dbraw/zinc/07/02/70/169070270.db2.gz OKGCUBSSHXCJBW-UHFFFAOYSA-N 2 0 229.368 0.786 20 0 BCADRP CCC[N@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000123599591 169070760 /nfs/dbraw/zinc/07/07/60/169070760.db2.gz RVSQWSYPVLHAJG-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[NH+](C)CCOC ZINC000359256222 169071341 /nfs/dbraw/zinc/07/13/41/169071341.db2.gz XCGSSXULWVYDRA-UHFFFAOYSA-N 2 0 245.367 0.023 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000357421226 169072986 /nfs/dbraw/zinc/07/29/86/169072986.db2.gz SQFICSWDJABNSK-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)C ZINC000346135129 169075657 /nfs/dbraw/zinc/07/56/57/169075657.db2.gz CKGDHBURGSDBGV-SNVBAGLBSA-N 2 0 215.341 0.395 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH3+])C1 ZINC000236762184 169078316 /nfs/dbraw/zinc/07/83/16/169078316.db2.gz NBOBLMAOBPJGEJ-NSHDSACASA-N 2 0 227.352 0.526 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(CCOCC[NH3+])C1 ZINC000357066795 169079581 /nfs/dbraw/zinc/07/95/81/169079581.db2.gz CGVCRFJPBKITJT-CYBMUJFWSA-N 2 0 243.395 0.625 20 0 BCADRP O[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(F)F ZINC000300356400 183225355 /nfs/dbraw/zinc/22/53/55/183225355.db2.gz KZWXRZVASBCJIO-KXUCPTDWSA-N 2 0 234.290 0.829 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H](C)[NH3+] ZINC000226407221 169120543 /nfs/dbraw/zinc/12/05/43/169120543.db2.gz XHTJNNMBIAFMIQ-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000226406852 169121060 /nfs/dbraw/zinc/12/10/60/169121060.db2.gz ORXCXSAMGKXCPL-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP CCC[NH+]1CCC(CNC(=O)C[NH3+])CC1 ZINC000236758861 169186044 /nfs/dbraw/zinc/18/60/44/169186044.db2.gz NKDYSMQILHBAAQ-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP CCC[NH+]1CCC(CNC(=O)C2([NH3+])CC2)CC1 ZINC000236769778 169186052 /nfs/dbraw/zinc/18/60/52/169186052.db2.gz AIGMTUGYNSYHKP-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP CCC[NH+]1CCC(NC(=O)CCC[NH3+])CC1 ZINC000040829678 169188978 /nfs/dbraw/zinc/18/89/78/169188978.db2.gz NBIALTRVIRKKFY-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP CCC[NH+]1CCC([NH2+][C@H](C)CC(=O)NC)CC1 ZINC000322774968 169190328 /nfs/dbraw/zinc/19/03/28/169190328.db2.gz JGJWMDSFTBARMX-LLVKDONJSA-N 2 0 241.379 0.975 20 0 BCADRP CCC[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])CC)CC1 ZINC000370778896 169192355 /nfs/dbraw/zinc/19/23/55/169192355.db2.gz IEPPTBIGFQKALU-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP CCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000366322556 169192966 /nfs/dbraw/zinc/19/29/66/169192966.db2.gz JJQLLBMCMZEPKR-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000236764538 169194113 /nfs/dbraw/zinc/19/41/13/169194113.db2.gz UOVRGKJYXDANQZ-VXGBXAGGSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C ZINC000236765987 169198894 /nfs/dbraw/zinc/19/88/94/169198894.db2.gz JMFUJCAPKZXPGU-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP CCCNC(=O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000070189607 169220686 /nfs/dbraw/zinc/22/06/86/169220686.db2.gz HYTJZIHAHDQKSY-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP CCCNC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000019843252 169221102 /nfs/dbraw/zinc/22/11/02/169221102.db2.gz DBNPNJQBZXWDNA-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000370397482 169257951 /nfs/dbraw/zinc/25/79/51/169257951.db2.gz FGCUFSKKGNQTKU-NSHDSACASA-N 2 0 227.352 0.634 20 0 BCADRP CCC[NH2+]CCNC(=O)CCC1CC[NH2+]CC1 ZINC000236906648 169258197 /nfs/dbraw/zinc/25/81/97/169258197.db2.gz XKBDYQAQJDXEJQ-UHFFFAOYSA-N 2 0 241.379 0.882 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000376971496 169258584 /nfs/dbraw/zinc/25/85/84/169258584.db2.gz KIZOYYPHZFTQBU-JQWIXIFHSA-N 2 0 225.336 0.102 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000236795580 169259461 /nfs/dbraw/zinc/25/94/61/169259461.db2.gz GVQDTZUFSFRXGB-NSHDSACASA-N 2 0 229.368 0.688 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000370397479 169259609 /nfs/dbraw/zinc/25/96/09/169259609.db2.gz FGCUFSKKGNQTKU-LLVKDONJSA-N 2 0 227.352 0.634 20 0 BCADRP CCCNC(=O)[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000111612169 169246573 /nfs/dbraw/zinc/24/65/73/169246573.db2.gz MVHHJZGASYNTQI-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092004614 169387975 /nfs/dbraw/zinc/38/79/75/169387975.db2.gz XPUDXSLXMNLPDD-GRYCIOLGSA-N 2 0 239.363 0.809 20 0 BCADRP C[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000178815589 134315526 /nfs/dbraw/zinc/31/55/26/134315526.db2.gz HSDPWMBBRFGBOA-VHSXEESVSA-N 2 0 213.325 0.147 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000036873045 169388312 /nfs/dbraw/zinc/38/83/12/169388312.db2.gz FRQZSTZLCBPSKQ-SNVBAGLBSA-N 2 0 213.325 0.278 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000178824343 134315576 /nfs/dbraw/zinc/31/55/76/134315576.db2.gz JTUWOJJYFBVXQM-NWDGAFQWSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000178815817 134315882 /nfs/dbraw/zinc/31/58/82/134315882.db2.gz BUSXAUUSPSUJSC-KXUCPTDWSA-N 2 0 213.325 0.275 20 0 BCADRP C[C@H]1C[C@H](NC(=O)CCC[NH3+])C[N@@H+]1C1CC1 ZINC000178867499 134315970 /nfs/dbraw/zinc/31/59/70/134315970.db2.gz KDNRQSQPUVZHGU-UWVGGRQHSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000178870894 134316219 /nfs/dbraw/zinc/31/62/19/134316219.db2.gz SBLMRGFNYCCZSL-BXKDBHETSA-N 2 0 243.326 0.274 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000180897542 134332092 /nfs/dbraw/zinc/33/20/92/134332092.db2.gz OWVGIEPDCROBPU-ZYHUDNBSSA-N 2 0 227.352 0.490 20 0 BCADRP CC[C@]1(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CCC[NH2+]1 ZINC000184075067 134357660 /nfs/dbraw/zinc/35/76/60/134357660.db2.gz XBQLLIWWLCYNLL-NQBHXWOUSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]([NH3+])C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184169301 134359618 /nfs/dbraw/zinc/35/96/18/134359618.db2.gz HRBPVSHWAQVMQC-JTQLQIEISA-N 2 0 221.304 0.321 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C[C@@H](C)[NH3+] ZINC000226397226 134364943 /nfs/dbraw/zinc/36/49/43/134364943.db2.gz MTNSINHKECHIKY-ZJUUUORDSA-N 2 0 215.341 0.570 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368100425 383846717 /nfs/dbraw/zinc/84/67/17/383846717.db2.gz QCPYEPYYOKJHGC-WZRBSPASSA-N 2 0 239.363 0.572 20 0 BCADRP CC[N@H+](C)CCNC(=O)CC[C@H](C)[NH3+] ZINC000069840200 383847580 /nfs/dbraw/zinc/84/75/80/383847580.db2.gz BVGYKMXXKPSMJW-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C1([NH3+])CC1 ZINC000237075190 383857961 /nfs/dbraw/zinc/85/79/61/383857961.db2.gz ZMGBVNUTIVDJEY-LLVKDONJSA-N 2 0 239.363 0.811 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C1([NH3+])CC1)c1ccccc1 ZINC000088130750 383881239 /nfs/dbraw/zinc/88/12/39/383881239.db2.gz VDILZFJZWMTDEF-GFCCVEGCSA-N 2 0 247.342 0.897 20 0 BCADRP [NH3+]CC1(Cc2nc([C@H]3CCC[NH2+]3)no2)CC1 ZINC000647144154 383833180 /nfs/dbraw/zinc/83/31/80/383833180.db2.gz OVIKHNRYFLAMED-MRVPVSSYSA-N 2 0 222.292 0.776 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC[NH+](C(C)C)C(C)C ZINC000036871074 383912427 /nfs/dbraw/zinc/91/24/27/383912427.db2.gz XNVIVNSRTWWTGL-NSHDSACASA-N 2 0 229.368 0.959 20 0 BCADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C)C[NH3+] ZINC000357229160 383927864 /nfs/dbraw/zinc/92/78/64/383927864.db2.gz VGLABTAVMDBOMA-GHMZBOCLSA-N 2 0 245.367 0.054 20 0 BCADRP C[NH+](C)Cc1ccccc1CNC(=O)C1([NH3+])CC1 ZINC000088130894 383882285 /nfs/dbraw/zinc/88/22/85/383882285.db2.gz PZFMDUWTYMMSSG-UHFFFAOYSA-N 2 0 247.342 0.856 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CC1([NH3+])CCC1 ZINC000646876318 383893084 /nfs/dbraw/zinc/89/30/84/383893084.db2.gz XROKCUDEKQVXTR-NXEZZACHSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)CC1([NH3+])CCC1 ZINC000646876320 383894297 /nfs/dbraw/zinc/89/42/97/383894297.db2.gz XROKCUDEKQVXTR-VHSXEESVSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CC1([NH3+])CCC1 ZINC000646876321 383894326 /nfs/dbraw/zinc/89/43/26/383894326.db2.gz XROKCUDEKQVXTR-ZJUUUORDSA-N 2 0 225.336 0.454 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000237195596 383979328 /nfs/dbraw/zinc/97/93/28/383979328.db2.gz YOCZHMZIYAIVPI-GHMZBOCLSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000518529644 383982893 /nfs/dbraw/zinc/98/28/93/383982893.db2.gz QCKLXNSMSTZRJT-QCNOEVLYSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000648126871 383993053 /nfs/dbraw/zinc/99/30/53/383993053.db2.gz XNKFJZFIBABXPU-CHWFTXMASA-N 2 0 225.336 0.310 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C[NH3+])C1CCCCC1 ZINC000237191152 383975396 /nfs/dbraw/zinc/97/53/96/383975396.db2.gz FJPJHINRGNOZOD-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[NH2+]C1)C1CC1 ZINC000237200372 384014356 /nfs/dbraw/zinc/01/43/56/384014356.db2.gz YOCZHMZIYAIVPI-WDEREUQCSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)c2ccnc(C[NH3+])c2)[C@H]1C ZINC000648127658 384053879 /nfs/dbraw/zinc/05/38/79/384053879.db2.gz DTWGHGUJIJFWOG-UWVGGRQHSA-N 2 0 248.330 0.363 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000648127729 384053977 /nfs/dbraw/zinc/05/39/77/384053977.db2.gz UFYGFMVANOARFT-IVZWLZJFSA-N 2 0 225.336 0.193 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000648127727 384054076 /nfs/dbraw/zinc/05/40/76/384054076.db2.gz UFYGFMVANOARFT-AEJSXWLSSA-N 2 0 225.336 0.193 20 0 BCADRP C[NH2+]CCCN1CC[C@H](Nc2ncccn2)C1 ZINC000569458848 384064193 /nfs/dbraw/zinc/06/41/93/384064193.db2.gz OCULRDLRERUFPH-NSHDSACASA-N 2 0 235.335 0.572 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCCCn1ccnc1 ZINC000069839031 384065292 /nfs/dbraw/zinc/06/52/92/384065292.db2.gz QAOPWIWZANTWGF-JTQLQIEISA-N 2 0 224.308 0.517 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1CCC ZINC000449380978 384096576 /nfs/dbraw/zinc/09/65/76/384096576.db2.gz PUBUBBMQMWSQSV-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP Cc1cnccc1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091312265 384117083 /nfs/dbraw/zinc/11/70/83/384117083.db2.gz SOPIXYQWRLMLOR-SNVBAGLBSA-N 2 0 235.287 0.707 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[NH2+]C[C@H]1CCC ZINC000449380979 384095339 /nfs/dbraw/zinc/09/53/39/384095339.db2.gz PUBUBBMQMWSQSV-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP C[N@H+](C[C@@H](O)CNC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000310226253 384128909 /nfs/dbraw/zinc/12/89/09/384128909.db2.gz GVPFZPCPERZOSH-STQMWFEESA-N 2 0 241.379 0.125 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)Cc1cn2ccccc2n1 ZINC000237343465 384157749 /nfs/dbraw/zinc/15/77/49/384157749.db2.gz UQMVQDRLVVZVJU-JTQLQIEISA-N 2 0 246.314 0.588 20 0 BCADRP C[NH+](C)C[C@H](NC(=O)C[NH3+])c1ccccc1 ZINC000040809084 384165742 /nfs/dbraw/zinc/16/57/42/384165742.db2.gz ABUWRGOEHDSTEJ-NSHDSACASA-N 2 0 221.304 0.364 20 0 BCADRP C[NH+](C)C[C@@H](NC(=O)C[NH3+])c1ccccc1 ZINC000040809086 384166028 /nfs/dbraw/zinc/16/60/28/384166028.db2.gz ABUWRGOEHDSTEJ-LLVKDONJSA-N 2 0 221.304 0.364 20 0 BCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCC[NH3+] ZINC000394304853 384166783 /nfs/dbraw/zinc/16/67/83/384166783.db2.gz VERRCTGDRFLMBO-NEPJUHHUSA-N 2 0 211.353 0.894 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@H]([NH3+])CC)CC1 ZINC000129089430 384166679 /nfs/dbraw/zinc/16/66/79/384166679.db2.gz AKOVSFKPZXAFPP-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)C1([NH3+])CCCC1 ZINC000648139733 384168014 /nfs/dbraw/zinc/16/80/14/384168014.db2.gz IEDHHKBEMBOYBD-JTQLQIEISA-N 2 0 227.352 0.892 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CC[N@@H+]1C ZINC000648141117 384169641 /nfs/dbraw/zinc/16/96/41/384169641.db2.gz DRCFFPIJUFWMBB-VPOLOUISSA-N 2 0 243.326 0.143 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000648140836 384171195 /nfs/dbraw/zinc/17/11/95/384171195.db2.gz MYAUBPVHJUREBL-RCWTZXSCSA-N 2 0 243.326 0.191 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000163232817 384184788 /nfs/dbraw/zinc/18/47/88/384184788.db2.gz WFMGPJIAHQXTBX-GXFFZTMASA-N 2 0 247.342 0.955 20 0 BCADRP COC[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000081066075 384179610 /nfs/dbraw/zinc/17/96/10/384179610.db2.gz ZJHUSIJOSNJRDT-GFCCVEGCSA-N 2 0 212.337 0.954 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1C ZINC000647113684 384203790 /nfs/dbraw/zinc/20/37/90/384203790.db2.gz XIXIEORTNMYFRD-WISYIIOYSA-N 2 0 237.347 0.004 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000237453277 384207340 /nfs/dbraw/zinc/20/73/40/384207340.db2.gz QTVGYDGTBUBDEG-MNOVXSKESA-N 2 0 225.336 0.278 20 0 BCADRP C[C@@H]1SCC[N@H+](CCOCC[NH3+])[C@H]1C ZINC000132514976 384193881 /nfs/dbraw/zinc/19/38/81/384193881.db2.gz KYVKQRLFJKFRRX-UWVGGRQHSA-N 2 0 218.366 0.788 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000237438630 384197256 /nfs/dbraw/zinc/19/72/56/384197256.db2.gz DHBLBGZYCREHLC-BDAKNGLRSA-N 2 0 225.336 0.465 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000237453502 384208664 /nfs/dbraw/zinc/20/86/64/384208664.db2.gz QTVGYDGTBUBDEG-GHMZBOCLSA-N 2 0 225.336 0.278 20 0 BCADRP C[C@@H](CS(C)(=O)=O)[NH2+]CCCC[NH+](C)C ZINC000081901008 384211191 /nfs/dbraw/zinc/21/11/91/384211191.db2.gz ZFPRDTIBZHZVIO-JTQLQIEISA-N 2 0 236.381 0.351 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000569558826 384229166 /nfs/dbraw/zinc/22/91/66/384229166.db2.gz URYYUBQEKQYESQ-OLZOCXBDSA-N 2 0 247.342 0.897 20 0 BCADRP C[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@H](C)[NH3+] ZINC000644164765 384243988 /nfs/dbraw/zinc/24/39/88/384243988.db2.gz KGRJIJNGWKLWKG-VQVTYTSYSA-N 2 0 241.257 0.366 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644164929 384244468 /nfs/dbraw/zinc/24/44/68/384244468.db2.gz IVXCQGUVYKEGQP-MRVPVSSYSA-N 2 0 249.305 0.475 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645629 384253271 /nfs/dbraw/zinc/25/32/71/384253271.db2.gz VMHLYPMSNLJYHU-KXUCPTDWSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000336625840 384256619 /nfs/dbraw/zinc/25/66/19/384256619.db2.gz MQHBBEJTVWELEP-QWRGUYRKSA-N 2 0 239.363 0.572 20 0 BCADRP CN(C(=O)CC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000569572897 384263800 /nfs/dbraw/zinc/26/38/00/384263800.db2.gz GSSQTKUAXVXPNC-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[C@H]1C ZINC000300023002 384277946 /nfs/dbraw/zinc/27/79/46/384277946.db2.gz CJMDHXLFHAMDKX-VWYCJHECSA-N 2 0 200.326 0.986 20 0 BCADRP C[C@@H](C(=O)N(C)[C@H](C[NH3+])C1CC1)[C@H](C)[NH3+] ZINC000521042937 384265221 /nfs/dbraw/zinc/26/52/21/384265221.db2.gz YXJVBHGFXIKMGP-KHQFGBGNSA-N 2 0 213.325 0.165 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]C(C)(C)C ZINC000174240504 384314443 /nfs/dbraw/zinc/31/44/43/384314443.db2.gz FAIMAYRPHRUKMO-UHFFFAOYSA-N 2 0 229.368 0.831 20 0 BCADRP C[C@H](NC(=O)C1([NH3+])CC1)C(C)(C)C[NH+](C)C ZINC000237547404 384279993 /nfs/dbraw/zinc/27/99/93/384279993.db2.gz AEOYYXBXOBBPNX-VIFPVBQESA-N 2 0 227.352 0.570 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000011754713 384295785 /nfs/dbraw/zinc/29/57/85/384295785.db2.gz RZFGIIROVIYOCD-NSHDSACASA-N 2 0 221.304 0.364 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370773199 384296160 /nfs/dbraw/zinc/29/61/60/384296160.db2.gz NAVSNAVGFMAKOW-WRWGMCAJSA-N 2 0 237.347 0.276 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000647506562 384298610 /nfs/dbraw/zinc/29/86/10/384298610.db2.gz RZLBQRHDAKBCBF-FDYHWXHSSA-N 3 0 241.379 0.423 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000248510205 384350427 /nfs/dbraw/zinc/35/04/27/384350427.db2.gz ZSMIAKKTXAPNLV-SDDRHHMPSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224290303 384351798 /nfs/dbraw/zinc/35/17/98/384351798.db2.gz YDPMESOZXZCGDM-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000069792112 384351983 /nfs/dbraw/zinc/35/19/83/384351983.db2.gz SPCGXLOLACSIRP-SNVBAGLBSA-N 2 0 225.336 0.054 20 0 BCADRP O=C(C[NH2+]C1CC1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188650597 384363762 /nfs/dbraw/zinc/36/37/62/384363762.db2.gz JMPCCPVFBGDINC-UHFFFAOYSA-N 2 0 245.326 0.658 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCOCC2)CO1 ZINC000647171279 384392802 /nfs/dbraw/zinc/39/28/02/384392802.db2.gz DWKYCUGMXVQQLO-CHWSQXEVSA-N 2 0 242.363 0.866 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000040807170 384402035 /nfs/dbraw/zinc/40/20/35/384402035.db2.gz ACNZELUBADOWDX-SECBINFHSA-N 2 0 215.341 0.426 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000237882379 384420384 /nfs/dbraw/zinc/42/03/84/384420384.db2.gz NYMWPVVPDALXSL-AXFHLTTASA-N 2 0 225.336 0.230 20 0 BCADRP C[C@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CCCC[NH2+]1 ZINC000237762308 384376085 /nfs/dbraw/zinc/37/60/85/384376085.db2.gz GTDDMHGISCHHBB-ZYHUDNBSSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)CCCC[NH2+]1 ZINC000237762978 384376388 /nfs/dbraw/zinc/37/63/88/384376388.db2.gz MIXMDEXLXUOKOB-DGCLKSJQSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)[C@H](C)[NH3+] ZINC000648145264 384446404 /nfs/dbraw/zinc/44/64/04/384446404.db2.gz WZEFFIRMCLDNEG-NGZCFLSTSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648145428 384447702 /nfs/dbraw/zinc/44/77/02/384447702.db2.gz ROEUPIVLLDFJLA-UTINFBMNSA-N 2 0 213.325 0.179 20 0 BCADRP C[C@@H](NC(=O)C1([NH3+])Cc2ccccc2C1)[C@H](C)[NH3+] ZINC000648144978 384438805 /nfs/dbraw/zinc/43/88/05/384438805.db2.gz TVOQCAJEOREWKB-VHSXEESVSA-N 2 0 247.342 0.335 20 0 BCADRP CC[C@]1(C(=O)NCc2nccn2C)CCC[NH2+]1 ZINC000122124126 384460116 /nfs/dbraw/zinc/46/01/16/384460116.db2.gz QKEAWZFODDVTCS-GFCCVEGCSA-N 2 0 236.319 0.569 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000249027688 384463555 /nfs/dbraw/zinc/46/35/55/384463555.db2.gz LREFDHZQOFQHFJ-XWLWVQCSSA-N 2 0 239.363 0.711 20 0 BCADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000648146262 384473022 /nfs/dbraw/zinc/47/30/22/384473022.db2.gz OZMYLOCSGOFQCW-LBPRGKRZSA-N 2 0 249.314 0.333 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180674 384476169 /nfs/dbraw/zinc/47/61/69/384476169.db2.gz LYIDNCYCNHJVCN-VIFPVBQESA-N 2 0 225.336 0.515 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180708 384478997 /nfs/dbraw/zinc/47/89/97/384478997.db2.gz MLEXRXVGVKPPMS-MNOVXSKESA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[C@H](C)[NH3+] ZINC000249097077 384484010 /nfs/dbraw/zinc/48/40/10/384484010.db2.gz UFTBTDXPTRRSOQ-WOPDTQHZSA-N 2 0 241.379 0.770 20 0 BCADRP CN(C(=O)[C@@H]1[NH2+]CC1(C)C)[C@@H](C[NH3+])C1CC1 ZINC000648176632 384500108 /nfs/dbraw/zinc/50/01/08/384500108.db2.gz FMHVYJMKAVWIOD-UWVGGRQHSA-N 2 0 225.336 0.180 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)[C@H]3CCC[NH2+]3)[C@H]2C1 ZINC000648168917 384492895 /nfs/dbraw/zinc/49/28/95/384492895.db2.gz GYELERMNZDVYQZ-TUAOUCFPSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@@H](C[NH2+][C@@H]1CO[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000647180387 384534513 /nfs/dbraw/zinc/53/45/13/384534513.db2.gz VULIAPHYDGMCNP-XQQFMLRXSA-N 2 0 241.379 0.389 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)[C@H]2C1 ZINC000648169114 384517442 /nfs/dbraw/zinc/51/74/42/384517442.db2.gz YEQXMUFETLDFFY-BNDIWNMDSA-N 2 0 249.358 0.004 20 0 BCADRP C[N@H+](CCn1ccnc1)CCn1cccn1 ZINC000161791041 384527688 /nfs/dbraw/zinc/52/76/88/384527688.db2.gz DZVFZNWCIQRIAI-UHFFFAOYSA-N 2 0 219.292 0.712 20 0 BCADRP C[C@@]1(CN2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]C1 ZINC000085542334 384530826 /nfs/dbraw/zinc/53/08/26/384530826.db2.gz NDLVENFIAGDJNS-GRYCIOLGSA-N 2 0 210.321 0.849 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C1CC[NH+](C)CC1 ZINC000236614617 384533452 /nfs/dbraw/zinc/53/34/52/384533452.db2.gz NPQQVKXAKQNNFX-LBPRGKRZSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(N)=O)CC[N@@H+]1C ZINC000183639573 384543423 /nfs/dbraw/zinc/54/34/23/384543423.db2.gz KGAJNSNGQRRPAF-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000648177261 384543957 /nfs/dbraw/zinc/54/39/57/384543957.db2.gz PPMHCMAEDKUXMQ-VIFPVBQESA-N 2 0 229.368 0.994 20 0 BCADRP C[NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000151245327 384553565 /nfs/dbraw/zinc/55/35/65/384553565.db2.gz DJKFHCUTLOZJPR-UHFFFAOYSA-N 2 0 235.331 0.697 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000236712224 384555092 /nfs/dbraw/zinc/55/50/92/384555092.db2.gz RMIJIVIPRIDHAG-NSHDSACASA-N 2 0 229.368 0.818 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000561195004 384555578 /nfs/dbraw/zinc/55/55/78/384555578.db2.gz QPHNZJBZOURPED-AAEUAGOBSA-N 2 0 247.342 0.727 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NCCC[NH2+]CC ZINC000561203624 384563393 /nfs/dbraw/zinc/56/33/93/384563393.db2.gz GUUMQGHSSLJJMF-NSHDSACASA-N 2 0 244.383 0.803 20 0 BCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH3+] ZINC000236748973 384568347 /nfs/dbraw/zinc/56/83/47/384568347.db2.gz UGVIWWGFIYIDOP-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NCC[NH2+]CCC ZINC000236745231 384568967 /nfs/dbraw/zinc/56/89/67/384568967.db2.gz YHSCDSSOZCRSID-SNVBAGLBSA-N 2 0 215.341 0.620 20 0 BCADRP C[C@@H]1CCN(C(=O)CCC(C)(C)[NH3+])C[C@H]1C[NH3+] ZINC000648177734 384570988 /nfs/dbraw/zinc/57/09/88/384570988.db2.gz RNLQBLWWMHEBEP-GHMZBOCLSA-N 2 0 241.379 0.947 20 0 BCADRP Cc1nc(N)nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000306113283 384572049 /nfs/dbraw/zinc/57/20/49/384572049.db2.gz VDUQQTWJWSPLDL-NXEZZACHSA-N 2 0 248.334 0.801 20 0 BCADRP Cc1nc(N)nc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000306113285 384572488 /nfs/dbraw/zinc/57/24/88/384572488.db2.gz VDUQQTWJWSPLDL-VHSXEESVSA-N 2 0 248.334 0.801 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000151496390 384577851 /nfs/dbraw/zinc/57/78/51/384577851.db2.gz WYHQPIJZFQEASI-NSHDSACASA-N 2 0 229.368 0.641 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000085975835 384583944 /nfs/dbraw/zinc/58/39/44/384583944.db2.gz KRCJJIAHBZYZTD-BBBLOLIVSA-N 2 0 211.309 0.029 20 0 BCADRP C[C@H](C(=O)N[C@@H](C)CC[NH+](C)C)[NH+](C)C ZINC000635558226 384563924 /nfs/dbraw/zinc/56/39/24/384563924.db2.gz IBXDJKARJALXLI-VHSXEESVSA-N 2 0 215.341 0.393 20 0 BCADRP CC[C@@H](O)C[NH2+]C[C@H]1CCCCN1CCO ZINC000647529995 384613920 /nfs/dbraw/zinc/61/39/20/384613920.db2.gz AJSDQUQLBFGKRN-VXGBXAGGSA-N 2 0 230.352 0.194 20 0 BCADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000037889553 384627077 /nfs/dbraw/zinc/62/70/77/384627077.db2.gz FMVKFIHXHOEPHD-JQWIXIFHSA-N 2 0 212.337 0.831 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCCCC[NH3+] ZINC000040832507 384595958 /nfs/dbraw/zinc/59/59/58/384595958.db2.gz SNWLLGQDCHWERT-SNVBAGLBSA-N 2 0 201.314 0.359 20 0 BCADRP C[C@@H]1C[C@@H](C)[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000157872735 384600363 /nfs/dbraw/zinc/60/03/63/384600363.db2.gz TXXCPWOVVMIACV-VXGBXAGGSA-N 2 0 211.353 0.622 20 0 BCADRP C[C@H]1C[C@H](C)[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000157872584 384601706 /nfs/dbraw/zinc/60/17/06/384601706.db2.gz TXXCPWOVVMIACV-RYUDHWBXSA-N 2 0 211.353 0.622 20 0 BCADRP C[C@]1(C(=O)NC2CCC([NH3+])CC2)CCC[NH2+]C1 ZINC000062860892 384664584 /nfs/dbraw/zinc/66/45/84/384664584.db2.gz AXJXVXIOSOFSJT-XIVSLSHWSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@]1(CN2CC[C@@H]3CC[NH2+][C@H]3C2)CC[NH2+]C1 ZINC000647534600 384645616 /nfs/dbraw/zinc/64/56/16/384645616.db2.gz ROYVXWHYHNHRCS-AVGNSLFASA-N 2 0 223.364 0.670 20 0 BCADRP CCC[NH+]1CCC(N[C@H]2CC[NH2+]C2)CC1 ZINC000086725607 384678808 /nfs/dbraw/zinc/67/88/08/384678808.db2.gz TZOOAFTUSXUDTH-LBPRGKRZSA-N 2 0 211.353 0.812 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449603933 384693802 /nfs/dbraw/zinc/69/38/02/384693802.db2.gz RTHMGUJPXTVCOK-RCWTZXSCSA-N 2 0 227.352 0.472 20 0 BCADRP C[C@@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)[C@H](C)[NH3+] ZINC000449606835 384700961 /nfs/dbraw/zinc/70/09/61/384700961.db2.gz ZZGKKDXAQJPVBF-SRRSOLGSSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@]1(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)CC[NH2+]C1 ZINC000647542284 384705956 /nfs/dbraw/zinc/70/59/56/384705956.db2.gz DRFHPAFWENVEOJ-UPJWGTAASA-N 3 0 223.364 0.670 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000178838468 384711736 /nfs/dbraw/zinc/71/17/36/384711736.db2.gz SDBCGCNKARXOEA-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000449611555 384720266 /nfs/dbraw/zinc/72/02/66/384720266.db2.gz WGKZUPKWWGBACU-HLTSFMKQSA-N 2 0 201.314 0.213 20 0 BCADRP NC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000647546228 384729253 /nfs/dbraw/zinc/72/92/53/384729253.db2.gz GBMZLJAFTWPZSD-RVMXOQNASA-N 2 0 223.364 0.701 20 0 BCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CC(C)(C)[NH3+] ZINC000648155656 384730071 /nfs/dbraw/zinc/73/00/71/384730071.db2.gz YHJUFGPSQRSNDY-NSHDSACASA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546139 384730117 /nfs/dbraw/zinc/73/01/17/384730117.db2.gz AMGFQMPPXOODSY-UMSGYPCISA-N 3 0 225.380 0.947 20 0 BCADRP COCC[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309944382 384730394 /nfs/dbraw/zinc/73/03/94/384730394.db2.gz CTLBSQXFBOGCEO-NSHDSACASA-N 2 0 230.352 0.458 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000647546495 384730547 /nfs/dbraw/zinc/73/05/47/384730547.db2.gz MMEVEVGSJUUUQQ-TUAOUCFPSA-N 2 0 211.353 0.716 20 0 BCADRP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000647546651 384733489 /nfs/dbraw/zinc/73/34/89/384733489.db2.gz UIFAJRIUCNGLIO-ACJTYDJDSA-N 2 0 223.364 0.859 20 0 BCADRP NCC(F)(F)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546935 384733522 /nfs/dbraw/zinc/73/35/22/384733522.db2.gz HSYGLADDCXFRBI-LPEHRKFASA-N 2 0 233.306 0.558 20 0 BCADRP C[C@H](CC[NH3+])[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546911 384733540 /nfs/dbraw/zinc/73/35/40/384733540.db2.gz GZTDDHPGCWPBMJ-WRWGMCAJSA-N 3 0 211.353 0.701 20 0 BCADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546799 384734323 /nfs/dbraw/zinc/73/43/23/384734323.db2.gz BTIAGDVDDZHGRM-YVECIDJPSA-N 3 0 225.380 0.962 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647547128 384736384 /nfs/dbraw/zinc/73/63/84/384736384.db2.gz OJKANJPSDUKVAN-IRCOFANPSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@H]1CNC[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000647547016 384736701 /nfs/dbraw/zinc/73/67/01/384736701.db2.gz KXRBTOQLEMBYIU-NEPJUHHUSA-N 2 0 225.380 0.964 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)[C@H]([NH3+])C2CCC2)cc1 ZINC000568271261 384737079 /nfs/dbraw/zinc/73/70/79/384737079.db2.gz ABXYKDXCQXWCRS-CYBMUJFWSA-N 2 0 247.342 0.889 20 0 BCADRP C1[NH2+]C[C@@H]2[C@H]1[C@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647547436 384737370 /nfs/dbraw/zinc/73/73/70/384737370.db2.gz WKWFATIMAPTBBG-PTEOKISQSA-N 3 0 221.348 0.182 20 0 BCADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647547165 384737579 /nfs/dbraw/zinc/73/75/79/384737579.db2.gz PNNCVWSJFODZFI-FIQHERPVSA-N 3 0 211.353 0.701 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648186056 384740580 /nfs/dbraw/zinc/74/05/80/384740580.db2.gz MXJHGJNVCYFHLL-KKOKHZNYSA-N 2 0 249.358 0.528 20 0 BCADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647547512 384741054 /nfs/dbraw/zinc/74/10/54/384741054.db2.gz YCVCZHRHQZBOEM-WRWGMCAJSA-N 3 0 211.353 0.559 20 0 BCADRP COC[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])OC ZINC000300386512 384742100 /nfs/dbraw/zinc/74/21/00/384742100.db2.gz ZDLVHQVBAORZDT-SDDRHHMPSA-N 2 0 230.352 0.755 20 0 BCADRP CC(C)N1CC[C@H](N[C@H]2C[NH2+]C[C@@H](C)C2)C1=O ZINC000647549797 384746541 /nfs/dbraw/zinc/74/65/41/384746541.db2.gz RABVJVMFTKLZOL-TUAOUCFPSA-N 2 0 239.363 0.583 20 0 BCADRP Cc1ccoc1CNC[C@@]1(O)CC[N@@H+](C)C1 ZINC000309969668 384748247 /nfs/dbraw/zinc/74/82/47/384748247.db2.gz OULXJOSEBBSBSK-LBPRGKRZSA-N 2 0 224.304 0.744 20 0 BCADRP C1[C@H]([NH2+][C@H]2CCCNC2)C12CC[NH2+]CC2 ZINC000647547875 384750474 /nfs/dbraw/zinc/75/04/74/384750474.db2.gz JURPRBZPELXCIE-QWRGUYRKSA-N 2 0 209.337 0.470 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN[C@H]2CCC[NH2+]C2)C1 ZINC000647548053 384750589 /nfs/dbraw/zinc/75/05/89/384750589.db2.gz SUZGKRIHZODXFT-GUBZILKMSA-N 2 0 201.289 0.028 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000647547835 384751444 /nfs/dbraw/zinc/75/14/44/384751444.db2.gz HBXXTVMZOUHAJD-TUAOUCFPSA-N 2 0 223.364 0.716 20 0 BCADRP OC[C@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000647551759 384753576 /nfs/dbraw/zinc/75/35/76/384753576.db2.gz JHHGAUCHRZYXOI-STQMWFEESA-N 2 0 242.363 0.363 20 0 BCADRP OC[C@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000647551757 384753855 /nfs/dbraw/zinc/75/38/55/384753855.db2.gz JHHGAUCHRZYXOI-OLZOCXBDSA-N 2 0 242.363 0.363 20 0 BCADRP C[C@@H](CNC(=O)[C@@](C)([NH3+])c1ccccc1)[NH+](C)C ZINC000052882401 384754727 /nfs/dbraw/zinc/75/47/27/384754727.db2.gz TVYWURHOODISPO-FZMZJTMJSA-N 2 0 249.358 0.927 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc2cnccn12 ZINC000647552096 384756896 /nfs/dbraw/zinc/75/68/96/384756896.db2.gz FXZONGZDWISBEO-UWVGGRQHSA-N 2 0 233.319 0.945 20 0 BCADRP CCOC[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309984301 384764770 /nfs/dbraw/zinc/76/47/70/384764770.db2.gz XPAWOHQZWSBKQO-LLVKDONJSA-N 2 0 230.352 0.458 20 0 BCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CC[NH2+]1 ZINC000335433359 384766907 /nfs/dbraw/zinc/76/69/07/384766907.db2.gz JUTWDOQQABXNIN-CMPLNLGQSA-N 2 0 239.363 0.537 20 0 BCADRP COC[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000042519557 384819467 /nfs/dbraw/zinc/81/94/67/384819467.db2.gz PRMZYXSKTLODAM-GHMZBOCLSA-N 2 0 200.326 0.953 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[NH2+]C1)[C@H]([NH3+])c1ccccc1 ZINC000126669770 384820104 /nfs/dbraw/zinc/82/01/04/384820104.db2.gz BLYYWDKBJQXLNE-UHTWSYAYSA-N 2 0 247.342 0.801 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000648202388 384824278 /nfs/dbraw/zinc/82/42/78/384824278.db2.gz BODADNPAKHNDTN-ITGUQSILSA-N 2 0 245.326 0.227 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C[NH2+]C)C1 ZINC000236899572 384788961 /nfs/dbraw/zinc/78/89/61/384788961.db2.gz JEGPTAZUYCFFLG-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP C[NH+](C)CC1CCN(CC(C)(C)[NH3+])CC1 ZINC000042388610 384791029 /nfs/dbraw/zinc/79/10/29/384791029.db2.gz ZTUWDKFTRBJBRS-UHFFFAOYSA-N 2 0 213.369 0.997 20 0 BCADRP CN(CC1CC[NH+](C)CC1)C(=O)C1([NH3+])CC1 ZINC000083836062 384800359 /nfs/dbraw/zinc/80/03/59/384800359.db2.gz APBVKXMYUCAMTC-UHFFFAOYSA-N 2 0 225.336 0.278 20 0 BCADRP C[C@H](CNC(=O)C1([NH3+])CC1)C[NH+]1CCCC1 ZINC000083835991 384800556 /nfs/dbraw/zinc/80/05/56/384800556.db2.gz NFIXGDWMYXQHFV-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449644630 384802006 /nfs/dbraw/zinc/80/20/06/384802006.db2.gz KBTKFLDJRQFRDT-UWVGGRQHSA-N 2 0 248.330 0.741 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000648190158 384802314 /nfs/dbraw/zinc/80/23/14/384802314.db2.gz CJIAXRWRTCXCOA-HBNTYKKESA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648190312 384802662 /nfs/dbraw/zinc/80/26/62/384802662.db2.gz QJJAKLMTFQWDPW-XHNCKOQMSA-N 2 0 249.305 0.473 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000648190194 384803517 /nfs/dbraw/zinc/80/35/17/384803517.db2.gz GJRLBAGUQXINQP-IWSPIJDZSA-N 2 0 201.314 0.212 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000648190156 384803795 /nfs/dbraw/zinc/80/37/95/384803795.db2.gz CJIAXRWRTCXCOA-DCAQKATOSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000648190155 384804129 /nfs/dbraw/zinc/80/41/29/384804129.db2.gz CJIAXRWRTCXCOA-AXFHLTTASA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648191164 384805098 /nfs/dbraw/zinc/80/50/98/384805098.db2.gz YIJSAHUOSVIUBU-GWOFURMSSA-N 2 0 227.352 0.569 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449650278 384814196 /nfs/dbraw/zinc/81/41/96/384814196.db2.gz TYMPHHLKUBWCEI-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000127462342 384870953 /nfs/dbraw/zinc/87/09/53/384870953.db2.gz UORBHYOSRKJLGJ-LLVKDONJSA-N 2 0 213.325 0.196 20 0 BCADRP CN(C[C@H](O)C[NH2+][C@H]1CC[C@@H](CO)C1)C1CC1 ZINC000568393442 384878992 /nfs/dbraw/zinc/87/89/92/384878992.db2.gz AXOIHJMJZCBENH-NTZNESFSSA-N 2 0 242.363 0.192 20 0 BCADRP CCCC[C@@H](C)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000305956489 384879395 /nfs/dbraw/zinc/87/93/95/384879395.db2.gz DRMSBEHBUBSLAQ-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP CC[NH2+]CCCNC(=O)NCC[N@H+](C)C1CC1 ZINC000557145686 384842176 /nfs/dbraw/zinc/84/21/76/384842176.db2.gz IAIKMUKBRHBVFJ-UHFFFAOYSA-N 2 0 242.367 0.379 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC000104448484 384855771 /nfs/dbraw/zinc/85/57/71/384855771.db2.gz KYDUPEVSESBOQM-JTQLQIEISA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)([NH3+])CNC(=O)CCC1CC[NH2+]CC1 ZINC000236596586 384868370 /nfs/dbraw/zinc/86/83/70/384868370.db2.gz RKKOGYJFOCSFQX-UHFFFAOYSA-N 2 0 227.352 0.620 20 0 BCADRP Fc1ccccc1CNC[C@@H]1C[NH2+]CCO1 ZINC000258973353 384955101 /nfs/dbraw/zinc/95/51/01/384955101.db2.gz TYHSYIFJVMMDQV-NSHDSACASA-N 2 0 224.279 0.904 20 0 BCADRP CCN(CCO)CC[NH2+][C@@H]1CO[C@H](C)C1 ZINC000647202649 384905698 /nfs/dbraw/zinc/90/56/98/384905698.db2.gz JLGJXBQSOWYYJN-MNOVXSKESA-N 2 0 216.325 0.068 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000187174665 384918726 /nfs/dbraw/zinc/91/87/26/384918726.db2.gz GPIHIEARINLCRH-QMMMGPOBSA-N 2 0 220.276 0.146 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000187177041 384920108 /nfs/dbraw/zinc/92/01/08/384920108.db2.gz KEBILYWIDAYUIB-VIFPVBQESA-N 2 0 234.303 0.393 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000647603221 384921729 /nfs/dbraw/zinc/92/17/29/384921729.db2.gz HROYDXHUCZEARO-QMMMGPOBSA-N 2 0 220.276 0.057 20 0 BCADRP C[NH+]1CCC(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000257678354 384923731 /nfs/dbraw/zinc/92/37/31/384923731.db2.gz IIOASLMAQVYUAG-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000257709668 384925171 /nfs/dbraw/zinc/92/51/71/384925171.db2.gz QJOYZEHSRQEGLQ-LLVKDONJSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000261586473 384930441 /nfs/dbraw/zinc/93/04/41/384930441.db2.gz RCGDVSRWXRKGOB-WCBMZHEXSA-N 2 0 241.360 0.814 20 0 BCADRP CSC[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000127447550 384933257 /nfs/dbraw/zinc/93/32/57/384933257.db2.gz MUWNALJMKOMTBH-WDEREUQCSA-N 2 0 232.393 0.784 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000647607579 384936822 /nfs/dbraw/zinc/93/68/22/384936822.db2.gz XKSNATWXSUOPPD-AOOOYVTPSA-N 2 0 219.288 0.821 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000647607451 384937182 /nfs/dbraw/zinc/93/71/82/384937182.db2.gz QATQOYANYALQMD-GDNZZTSVSA-N 2 0 231.299 0.549 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH3+] ZINC000368115784 384937442 /nfs/dbraw/zinc/93/74/42/384937442.db2.gz QQSYPDJNKWCHBJ-ZJUUUORDSA-N 2 0 213.325 0.086 20 0 BCADRP CC[C@@H](O)C[NH2+]CCCn1ccnc1C ZINC000644526235 384938031 /nfs/dbraw/zinc/93/80/31/384938031.db2.gz MAWZXOMMXPJQSL-LLVKDONJSA-N 2 0 211.309 0.942 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N(C)C1(C[NH3+])CCC1 ZINC000449687207 384939385 /nfs/dbraw/zinc/93/93/85/384939385.db2.gz OLAUKNMPXZZXHK-UHFFFAOYSA-N 2 0 227.352 0.666 20 0 BCADRP CCN(C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCOC1 ZINC000310280994 384939924 /nfs/dbraw/zinc/93/99/24/384939924.db2.gz POHDBYPEHLQMCF-QWHCGFSZSA-N 2 0 242.363 0.552 20 0 BCADRP CC(C)(C)C[NH2+]CCCN1CC[NH2+]CC1 ZINC000258905092 384945388 /nfs/dbraw/zinc/94/53/88/384945388.db2.gz LIKZDRATUOJNOR-UHFFFAOYSA-N 2 0 213.369 0.917 20 0 BCADRP C[C@H](CC(=O)NCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000087973448 384987247 /nfs/dbraw/zinc/98/72/47/384987247.db2.gz ZQTFSXVAXXSZDP-NXEZZACHSA-N 2 0 213.325 0.087 20 0 BCADRP CCCC[NH+]1CCC(NC(=O)[C@@H](C)[NH3+])CC1 ZINC000037005025 384988622 /nfs/dbraw/zinc/98/86/22/384988622.db2.gz NXOMNXGKHFXOLV-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023901 384992831 /nfs/dbraw/zinc/99/28/31/384992831.db2.gz MBDZZULCUKOODP-GARJFASQSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CN1CCOCC1 ZINC000310344206 384994299 /nfs/dbraw/zinc/99/42/99/384994299.db2.gz FNTXIJDTVXKPIG-CHWSQXEVSA-N 2 0 243.395 0.814 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC[N@@H+]1C ZINC000648148571 385001590 /nfs/dbraw/zinc/00/15/90/385001590.db2.gz PNJFAKWKLFDGNI-WISYIIOYSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000226398812 385007659 /nfs/dbraw/zinc/00/76/59/385007659.db2.gz ZGOLJVGELNXKHG-MFKMUULPSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000226396348 385007726 /nfs/dbraw/zinc/00/77/26/385007726.db2.gz IMZACFKZTYHTHS-MNOVXSKESA-N 2 0 229.368 0.816 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000050464545 385009162 /nfs/dbraw/zinc/00/91/62/385009162.db2.gz JNWAESUSTYBLEJ-WDEREUQCSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]1C[C@@H](CN2CC[NH2+]C[C@H]2C(F)F)CC[NH2+]1 ZINC000516650341 385009800 /nfs/dbraw/zinc/00/98/00/385009800.db2.gz KJHGXPIDFSTOEI-VWYCJHECSA-N 2 0 247.333 0.913 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000364115110 385013339 /nfs/dbraw/zinc/01/33/39/385013339.db2.gz HRZISQUVILOMJW-USZNOCQGSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000364115111 385015592 /nfs/dbraw/zinc/01/55/92/385015592.db2.gz HRZISQUVILOMJW-WHOHXGKFSA-N 2 0 237.347 0.467 20 0 BCADRP CC[C@@H](O)C[NH2+][C@H]1CCn2ccnc2C1 ZINC000644625729 385020186 /nfs/dbraw/zinc/02/01/86/385020186.db2.gz NPUZOLGMJPBRSE-VHSXEESVSA-N 2 0 209.293 0.558 20 0 BCADRP Cc1cc(CN(C)C[C@H](O)C[NH3+])ccc1F ZINC000259196529 384962913 /nfs/dbraw/zinc/96/29/13/384962913.db2.gz WSAOHXFXKHDQPS-LLVKDONJSA-N 2 0 226.295 0.886 20 0 BCADRP Cc1cnn(CC[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000404787472 385062252 /nfs/dbraw/zinc/06/22/52/385062252.db2.gz PYGUMWIVCKBTSA-GHMZBOCLSA-N 2 0 222.336 0.907 20 0 BCADRP Cn1cc(CC[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cn1 ZINC000404789185 385062436 /nfs/dbraw/zinc/06/24/36/385062436.db2.gz QQLKULBHRSIFSB-QWRGUYRKSA-N 2 0 222.336 0.678 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000157068219 385066909 /nfs/dbraw/zinc/06/69/09/385066909.db2.gz RCAGYUSSYAYWBT-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000646915382 385070523 /nfs/dbraw/zinc/07/05/23/385070523.db2.gz CZYONORXQUQPHX-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2CCC[NH2+]CC2)CCCC[NH2+]1 ZINC000364162861 385077727 /nfs/dbraw/zinc/07/77/27/385077727.db2.gz VGUYDSHWTSAETN-DGCLKSJQSA-N 2 0 239.363 0.777 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000646945650 385081673 /nfs/dbraw/zinc/08/16/73/385081673.db2.gz FHAFDKVENAZEIO-VHSXEESVSA-N 2 0 225.336 0.230 20 0 BCADRP CC[C@@H](O)C[NH2+][C@H](C)C1=CC[N@H+](C)CC1 ZINC000644619186 385026609 /nfs/dbraw/zinc/02/66/09/385026609.db2.gz WTEWEVHOTQBGRR-ZYHUDNBSSA-N 2 0 212.337 0.997 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)N[C@H]1CCC[NH2+]CC1 ZINC000646988179 385117234 /nfs/dbraw/zinc/11/72/34/385117234.db2.gz IFHMBCRGSHTMLQ-NEPJUHHUSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000646988224 385117897 /nfs/dbraw/zinc/11/78/97/385117897.db2.gz JTRBRSDKGDTHLS-SRVKXCTJSA-N 2 0 239.363 0.633 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CCC(C)([NH3+])CC1 ZINC000646993645 385122989 /nfs/dbraw/zinc/12/29/89/385122989.db2.gz CKAAOGMAGIAVTR-GFCCVEGCSA-N 2 0 227.352 0.844 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC(C)([NH3+])CC1 ZINC000646991735 385126257 /nfs/dbraw/zinc/12/62/57/385126257.db2.gz MHOUXCHMHZDVIR-UHFFFAOYSA-N 2 0 227.352 0.668 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000646990685 385126565 /nfs/dbraw/zinc/12/65/65/385126565.db2.gz YLOIYBAHIGJBQL-GFCCVEGCSA-N 2 0 233.315 0.643 20 0 BCADRP C[C@@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)[NH+](C)C ZINC000061612326 385126800 /nfs/dbraw/zinc/12/68/00/385126800.db2.gz RKICKXZXDBQDNA-WCQYABFASA-N 2 0 249.358 0.795 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC(C)([NH3+])CC1 ZINC000646991955 385127697 /nfs/dbraw/zinc/12/76/97/385127697.db2.gz UFKRJUVTTNTSIV-UHFFFAOYSA-N 2 0 227.352 0.668 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000646998031 385127811 /nfs/dbraw/zinc/12/78/11/385127811.db2.gz DHKZVYNBNZOBGI-VHSXEESVSA-N 2 0 225.336 0.644 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH3+])CC1 ZINC000646992391 385128966 /nfs/dbraw/zinc/12/89/66/385128966.db2.gz ILBKEFSIICBLCD-UHFFFAOYSA-N 2 0 227.352 0.666 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000646998228 385132013 /nfs/dbraw/zinc/13/20/13/385132013.db2.gz XDEOIXQATKPDOD-PRJMDXOYSA-N 2 0 235.278 0.355 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000646998113 385132426 /nfs/dbraw/zinc/13/24/26/385132426.db2.gz OXRSYXNQBCYYFP-TUAOUCFPSA-N 2 0 239.363 0.762 20 0 BCADRP COCCC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566245209 385133941 /nfs/dbraw/zinc/13/39/41/385133941.db2.gz KRCCDXCOWXCIPI-GFCCVEGCSA-N 2 0 242.363 0.710 20 0 BCADRP [NH3+]CC1(CC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000646996547 385135519 /nfs/dbraw/zinc/13/55/19/385135519.db2.gz HKTZBNKGSTUZOM-UWVGGRQHSA-N 2 0 225.336 0.502 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000647001778 385137737 /nfs/dbraw/zinc/13/77/37/385137737.db2.gz YEJXWUPCUIOXNE-WOPDTQHZSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449748238 385139574 /nfs/dbraw/zinc/13/95/74/385139574.db2.gz BAXWNFZNSUEGEU-SNVBAGLBSA-N 2 0 227.352 0.583 20 0 BCADRP CC[C@@H]1CN(C(=O)CCC[NH2+]C)CC[C@H]1[NH3+] ZINC000647015363 385140332 /nfs/dbraw/zinc/14/03/32/385140332.db2.gz OOKJLBZJLFZRDT-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000367653497 385086929 /nfs/dbraw/zinc/08/69/29/385086929.db2.gz NVENDTGKBSCHKK-SNVBAGLBSA-N 2 0 225.336 0.278 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000646961031 385088119 /nfs/dbraw/zinc/08/81/19/385088119.db2.gz PUANHMLVGLYCMX-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000646965985 385090094 /nfs/dbraw/zinc/09/00/94/385090094.db2.gz ONIPMKBYEQDLKW-LOWVWBTDSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000646965993 385090751 /nfs/dbraw/zinc/09/07/51/385090751.db2.gz QZADYSRTUYDFGA-JQWIXIFHSA-N 2 0 227.352 0.620 20 0 BCADRP CC[C@H]1CN(C(=O)CC(C)(C)[NH3+])CC[C@@H]1[NH3+] ZINC000647015094 385140497 /nfs/dbraw/zinc/14/04/97/385140497.db2.gz HRXSEAQAJCQSJS-UWVGGRQHSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@]1(CNC(=O)C[C@H]2CC[NH2+]C2)CCC[NH2+]C1 ZINC000646965949 385091632 /nfs/dbraw/zinc/09/16/32/385091632.db2.gz GUUADSHNHPXZOL-YPMHNXCESA-N 2 0 239.363 0.492 20 0 BCADRP C[C@]1(CNC(=O)CCCC[NH3+])CCC[NH2+]C1 ZINC000646965935 385091770 /nfs/dbraw/zinc/09/17/70/385091770.db2.gz DGVZTXLXPTTXKE-LBPRGKRZSA-N 2 0 227.352 0.621 20 0 BCADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCC(=O)NC)C1 ZINC000559642316 385099889 /nfs/dbraw/zinc/09/98/89/385099889.db2.gz WWFZHXFDUUDBMX-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]2CC[NH2+][C@H]2C)CC[C@H]1[NH3+] ZINC000647015238 385141269 /nfs/dbraw/zinc/14/12/69/385141269.db2.gz KYFOKAYIYYQMOU-IRCOFANPSA-N 2 0 239.363 0.570 20 0 BCADRP CCN1CCC([N@H+](C)CCC(=O)NC)CC1 ZINC000157443705 385181095 /nfs/dbraw/zinc/18/10/95/385181095.db2.gz TUDRUERCFSKVOH-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP O=C(CC1CC[NH2+]CC1)NCC[NH+]1CCCC1 ZINC000002583927 385183018 /nfs/dbraw/zinc/18/30/18/385183018.db2.gz XBQHBEXCFUWDCV-UHFFFAOYSA-N 2 0 239.363 0.588 20 0 BCADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H]1C[C@]12CC[NH2+]C2 ZINC000647054923 385201613 /nfs/dbraw/zinc/20/16/13/385201613.db2.gz CUYMINXLVRNXMH-GYSYKLTISA-N 2 0 249.358 0.244 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)C[C@H]1CC[NH2+]C1 ZINC000647051321 385187809 /nfs/dbraw/zinc/18/78/09/385187809.db2.gz OEEFPFOAXSGSOE-GHMZBOCLSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000647051082 385187850 /nfs/dbraw/zinc/18/78/50/385187850.db2.gz VPTQDDCKNRTXBK-LLHIFLOGSA-N 2 0 239.363 0.474 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)c1ccc(C[NH3+])o1 ZINC000647051349 385187909 /nfs/dbraw/zinc/18/79/09/385187909.db2.gz SPLSFNXRUCBPRI-SECBINFHSA-N 2 0 239.319 0.986 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000647051333 385188352 /nfs/dbraw/zinc/18/83/52/385188352.db2.gz QFPRCKALUFIWJN-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CC2([NH3+])CCC2)CC[NH2+]1 ZINC000647018138 385143020 /nfs/dbraw/zinc/14/30/20/385143020.db2.gz ILDQPXYOJTYFLJ-NXEZZACHSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@H]([NH3+])CNC(=O)C[NH+]1CCC(C)CC1 ZINC000647022291 385152666 /nfs/dbraw/zinc/15/26/66/385152666.db2.gz CXUWIMNRETYCIZ-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H](O)C[NH+](C)CCCCC[N@@H+](C)C[C@@H](C)O ZINC000361504686 385153789 /nfs/dbraw/zinc/15/37/89/385153789.db2.gz CZYWMCSAMSDCQM-CHWSQXEVSA-N 2 0 246.395 0.782 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449753450 385155035 /nfs/dbraw/zinc/15/50/35/385155035.db2.gz OONGJDOESHPJKI-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000647026382 385160467 /nfs/dbraw/zinc/16/04/67/385160467.db2.gz GRLSKMQDXFIXIS-WDEREUQCSA-N 2 0 239.363 0.572 20 0 BCADRP CC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000119719519 385167491 /nfs/dbraw/zinc/16/74/91/385167491.db2.gz ZVIVUAKHMVGFCO-UHFFFAOYSA-N 2 0 213.369 0.964 20 0 BCADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CC[NH3+] ZINC000165644966 385170069 /nfs/dbraw/zinc/17/00/69/385170069.db2.gz XGJUAEBZOTWWRD-ZDUSSCGKSA-N 2 0 249.358 0.624 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000165642621 385170242 /nfs/dbraw/zinc/17/02/42/385170242.db2.gz YHWOKKLATQBRQR-DGCLKSJQSA-N 2 0 249.358 0.623 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000566249614 385171437 /nfs/dbraw/zinc/17/14/37/385171437.db2.gz ZGYFGRPXYVLCOY-TUAOUCFPSA-N 2 0 237.347 0.339 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058098 385201229 /nfs/dbraw/zinc/20/12/29/385201229.db2.gz MOORLUDSMBFXSP-UKKRHICBSA-N 2 0 243.326 0.191 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000647064713 385210845 /nfs/dbraw/zinc/21/08/45/385210845.db2.gz SADWUYVREZMLRB-KOLCDFICSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000647064683 385211124 /nfs/dbraw/zinc/21/11/24/385211124.db2.gz PFYXVCANMDKJOM-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCOC1 ZINC000252712009 385211494 /nfs/dbraw/zinc/21/14/94/385211494.db2.gz LFXSVXRBGWYPFQ-UTUOFQBUSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647068794 385215285 /nfs/dbraw/zinc/21/52/85/385215285.db2.gz UOESANWQCQUEKB-QUDJTUOCSA-N 2 0 239.363 0.759 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647068795 385215601 /nfs/dbraw/zinc/21/56/01/385215601.db2.gz UOESANWQCQUEKB-RTWBTXMESA-N 2 0 239.363 0.759 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000157573361 385216120 /nfs/dbraw/zinc/21/61/20/385216120.db2.gz OLHAURJSIMLMOQ-LBPRGKRZSA-N 2 0 239.363 0.811 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000647070246 385217333 /nfs/dbraw/zinc/21/73/33/385217333.db2.gz NCPBRZGDNJYOBE-BQBZGAKWSA-N 2 0 223.267 0.068 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000647072049 385217450 /nfs/dbraw/zinc/21/74/50/385217450.db2.gz YTQYEQHRIXOYBW-NKWVEPMBSA-N 2 0 235.278 0.083 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC([NH3+])CC1)[NH+](C)C ZINC000157598822 385221343 /nfs/dbraw/zinc/22/13/43/385221343.db2.gz BNASWDLIUUVANR-LLVKDONJSA-N 2 0 227.352 0.522 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000336390500 385224367 /nfs/dbraw/zinc/22/43/67/385224367.db2.gz JOMWHEBWVCBKCA-LBPRGKRZSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H](CNC(=O)[C@@H]([NH3+])CC(F)F)[NH+](C)C ZINC000308872358 385227845 /nfs/dbraw/zinc/22/78/45/385227845.db2.gz ZMOVRQJEMOZNLF-RQJHMYQMSA-N 2 0 223.267 0.035 20 0 BCADRP O=C(C[C@@H]1CC[NH2+]C1)NCCC[C@H]1CCC[NH2+]1 ZINC000647077236 385230507 /nfs/dbraw/zinc/23/05/07/385230507.db2.gz AYPOSRUTORTERS-NWDGAFQWSA-N 2 0 239.363 0.634 20 0 BCADRP O=C(C[C@@H]1CC[NH2+]C1)NCCC[C@@H]1CCC[NH2+]1 ZINC000647077237 385231653 /nfs/dbraw/zinc/23/16/53/385231653.db2.gz AYPOSRUTORTERS-RYUDHWBXSA-N 2 0 239.363 0.634 20 0 BCADRP CC(C)[C@H]1CN(CC(C)(C)[NH3+])CC[N@@H+]1C ZINC000108362550 385232213 /nfs/dbraw/zinc/23/22/13/385232213.db2.gz IEKOIBBXPQPZKL-LLVKDONJSA-N 2 0 213.369 0.996 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404996608 385232867 /nfs/dbraw/zinc/23/28/67/385232867.db2.gz XCOQBVZLWQTXIJ-GHMZBOCLSA-N 2 0 227.352 0.666 20 0 BCADRP [NH3+]CCOCC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000647076283 385234498 /nfs/dbraw/zinc/23/44/98/385234498.db2.gz GHYPYMUVBOWDLI-UHFFFAOYSA-N 2 0 235.287 0.204 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649620 385235728 /nfs/dbraw/zinc/23/57/28/385235728.db2.gz KHADRUWTDZBPGA-ZYHUDNBSSA-N 2 0 239.363 0.570 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000037643494 385236016 /nfs/dbraw/zinc/23/60/16/385236016.db2.gz WLVYKVOWVDVWSN-DGCLKSJQSA-N 2 0 241.379 0.962 20 0 BCADRP C[N@H+](CCCCO)C[C@@]1(C)CC[NH2+]C1 ZINC000308881591 385236059 /nfs/dbraw/zinc/23/60/59/385236059.db2.gz QLSGZDNMFSVVPW-NSHDSACASA-N 2 0 200.326 0.690 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000647082830 385243625 /nfs/dbraw/zinc/24/36/25/385243625.db2.gz MQZDULBGWZCUKN-AXFHLTTASA-N 2 0 225.336 0.230 20 0 BCADRP CCN1CCC([NH2+][C@H](CO)[C@@H]2CCCO2)CC1 ZINC000448267734 385244929 /nfs/dbraw/zinc/24/49/29/385244929.db2.gz OENHFWZLJDOVRF-OLZOCXBDSA-N 2 0 242.363 0.600 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000647084087 385246152 /nfs/dbraw/zinc/24/61/52/385246152.db2.gz FLIXCWQLVYEUAO-VIFPVBQESA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CCC[C@H]1C[NH3+])[NH+](C)C ZINC000157689401 385246538 /nfs/dbraw/zinc/24/65/38/385246538.db2.gz BVHONIOSPQITJS-SDDRHHMPSA-N 2 0 241.379 0.816 20 0 BCADRP CN(C(=O)C[C@@H]1CC[NH2+]C1)[C@@H](C[NH3+])C1CC1 ZINC000647085526 385249030 /nfs/dbraw/zinc/24/90/30/385249030.db2.gz LRMMHFNMUPBCOO-ONGXEEELSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000238562588 385262394 /nfs/dbraw/zinc/26/23/94/385262394.db2.gz AFUDBZBULFXAQL-SNVBAGLBSA-N 2 0 208.309 0.971 20 0 BCADRP Cn1nncc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347095690 385271434 /nfs/dbraw/zinc/27/14/34/385271434.db2.gz HQAVLSAXTCEULH-CYBMUJFWSA-N 2 0 249.362 0.779 20 0 BCADRP C[C@H](O)CC[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000308902935 385275389 /nfs/dbraw/zinc/27/53/89/385275389.db2.gz JKSYKVNKAUJOBA-QWRGUYRKSA-N 2 0 200.326 0.689 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000647490238 385283221 /nfs/dbraw/zinc/28/32/21/385283221.db2.gz HHAPCEPBYBLBHZ-WOPDTQHZSA-N 3 0 211.353 0.655 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000247102352 385291652 /nfs/dbraw/zinc/29/16/52/385291652.db2.gz YJUGMYDVEXJGED-YFKTTZPYSA-N 2 0 239.363 0.761 20 0 BCADRP COCCN(CC[NH+](C)C)C(=O)CC(C)(C)[NH3+] ZINC000648152632 385295134 /nfs/dbraw/zinc/29/51/34/385295134.db2.gz OPHZOBLYQQVWSY-UHFFFAOYSA-N 2 0 245.367 0.150 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000157863882 385297966 /nfs/dbraw/zinc/29/79/66/385297966.db2.gz BZLFGZOCQVVPIX-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(C)(C)[NH3+])C1 ZINC000164992710 385335700 /nfs/dbraw/zinc/33/57/00/385335700.db2.gz LOYCBHSIBXVSMP-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000165003752 385335718 /nfs/dbraw/zinc/33/57/18/385335718.db2.gz NOUIRVWBNKXKPU-WDEREUQCSA-N 2 0 229.368 0.818 20 0 BCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C[NH3+])C1 ZINC000165125553 385352515 /nfs/dbraw/zinc/35/25/15/385352515.db2.gz JDSXNNAFWASOQA-VXGBXAGGSA-N 2 0 241.379 0.819 20 0 BCADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C[NH3+])C1 ZINC000165125435 385352793 /nfs/dbraw/zinc/35/27/93/385352793.db2.gz JDSXNNAFWASOQA-RYUDHWBXSA-N 2 0 241.379 0.819 20 0 BCADRP C[C@@H]1C[N@H+](CCc2ccnn2C)CC[C@H]1[NH3+] ZINC000299962231 385357575 /nfs/dbraw/zinc/35/75/75/385357575.db2.gz SVZJUDGDKRFLAY-ZYHUDNBSSA-N 2 0 222.336 0.632 20 0 BCADRP C[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000131752531 385357796 /nfs/dbraw/zinc/35/77/96/385357796.db2.gz IOZAKVVUHSCGGL-VPOLOUISSA-N 2 0 200.326 0.686 20 0 BCADRP C[C@@H]1C[C@@H](CN(C)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000647494978 385362498 /nfs/dbraw/zinc/36/24/98/385362498.db2.gz BGSXDCKIPCIAAZ-GRYCIOLGSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000178405992 385367563 /nfs/dbraw/zinc/36/75/63/385367563.db2.gz ZGLOSULHVLUMAJ-GXFFZTMASA-N 2 0 247.342 0.554 20 0 BCADRP CC[NH+](CC)CCN[C@H]1C[N@H+](C)C[C@@H]1C ZINC000309040630 385377133 /nfs/dbraw/zinc/37/71/33/385377133.db2.gz KZYKSHFBPYXIFQ-RYUDHWBXSA-N 2 0 213.369 0.868 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000309032028 385380058 /nfs/dbraw/zinc/38/00/58/385380058.db2.gz CIPXREUKCIRUCV-ZETCQYMHSA-N 2 0 223.267 0.037 20 0 BCADRP CC[N@H+](C)CCN[C@H]1C[NH+](CC)C[C@H]1C ZINC000309048928 385382533 /nfs/dbraw/zinc/38/25/33/385382533.db2.gz PTJMEOKJEVVHGU-NEPJUHHUSA-N 2 0 213.369 0.868 20 0 BCADRP C[C@@]1(C(=O)NCC2([NH3+])CCC2)CCC[NH2+]C1 ZINC000335895472 385326863 /nfs/dbraw/zinc/32/68/63/385326863.db2.gz SHHDGISGFFPWKR-LLVKDONJSA-N 2 0 225.336 0.374 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644066881 385414944 /nfs/dbraw/zinc/41/49/44/385414944.db2.gz UQVLBDMDMULITL-MRVPVSSYSA-N 2 0 235.278 0.038 20 0 BCADRP [NH3+]C[C@H](C(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000178731457 385416180 /nfs/dbraw/zinc/41/61/80/385416180.db2.gz RMVYQNCYFXKAEM-STQMWFEESA-N 2 0 247.342 0.597 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)CC1(C[NH3+])CC1 ZINC000644074972 385423580 /nfs/dbraw/zinc/42/35/80/385423580.db2.gz NIIVFMSMFSBQGU-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000644086283 385438778 /nfs/dbraw/zinc/43/87/78/385438778.db2.gz RZFQEWRBFGUTPB-GRYCIOLGSA-N 2 0 239.363 0.348 20 0 BCADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1CC[NH2+]1 ZINC000644092163 385444679 /nfs/dbraw/zinc/44/46/79/385444679.db2.gz INZMNQDXOLZIGF-WDEREUQCSA-N 2 0 249.314 0.173 20 0 BCADRP COc1ccccc1[C@H]([NH3+])CNC(=O)C1([NH3+])CC1 ZINC000644092405 385445085 /nfs/dbraw/zinc/44/50/85/385445085.db2.gz MXDWVFLGTZCOFB-SNVBAGLBSA-N 2 0 249.314 0.303 20 0 BCADRP C[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000644082246 385428881 /nfs/dbraw/zinc/42/88/81/385428881.db2.gz RKBNSMPXOUNVET-HBNTYKKESA-N 2 0 239.363 0.489 20 0 BCADRP C[C@]([NH3+])(C(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000195232031 385464694 /nfs/dbraw/zinc/46/46/94/385464694.db2.gz BLZSTSREVKXGHM-GXTWGEPZSA-N 2 0 247.342 0.729 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000364475382 385466487 /nfs/dbraw/zinc/46/64/87/385466487.db2.gz BJQUGHIMBBHOHF-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)[C@H]1CC[NH2+]1 ZINC000644102611 385472207 /nfs/dbraw/zinc/47/22/07/385472207.db2.gz QUTOYHKBFWZHCC-LLVKDONJSA-N 2 0 232.287 0.028 20 0 BCADRP C[NH2+]Cc1ccccc1NC(=O)[C@H]1CC[NH2+]1 ZINC000644097022 385460248 /nfs/dbraw/zinc/46/02/48/385460248.db2.gz CLMUVJLSYOBONG-LLVKDONJSA-N 2 0 219.288 0.706 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000364470340 385461568 /nfs/dbraw/zinc/46/15/68/385461568.db2.gz WNKYUMSASUGYQE-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP Cn1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000257755775 385496670 /nfs/dbraw/zinc/49/66/70/385496670.db2.gz WGHHMMVDHIXNAN-AWEZNQCLSA-N 2 0 248.374 0.505 20 0 BCADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCOC1 ZINC000336724966 385498855 /nfs/dbraw/zinc/49/88/55/385498855.db2.gz ZSKJWPFLINUVSH-OLZOCXBDSA-N 2 0 244.379 0.969 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000309295318 385518407 /nfs/dbraw/zinc/51/84/07/385518407.db2.gz RJKYPRONBXYJJT-ZJUUUORDSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]C1(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000644132166 385513205 /nfs/dbraw/zinc/51/32/05/385513205.db2.gz MSIJVWOHJYGHRG-SECBINFHSA-N 2 0 211.309 0.126 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000257707387 385490175 /nfs/dbraw/zinc/49/01/75/385490175.db2.gz PSVHNFKJOLCMMG-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000644145976 385536227 /nfs/dbraw/zinc/53/62/27/385536227.db2.gz WTJYQSIEVGXQAC-ZJUUUORDSA-N 2 0 237.347 0.243 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000644144636 385536353 /nfs/dbraw/zinc/53/63/53/385536353.db2.gz IPAIAVWZTKAUPL-VHSXEESVSA-N 2 0 225.336 0.100 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000644145975 385536635 /nfs/dbraw/zinc/53/66/35/385536635.db2.gz WTJYQSIEVGXQAC-VHSXEESVSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC12CC[NH2+]CC2)[C@H](C)[NH3+] ZINC000644145642 385536838 /nfs/dbraw/zinc/53/68/38/385536838.db2.gz MTBDPDNAKCQYPJ-UTLUCORTSA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000644140600 385523041 /nfs/dbraw/zinc/52/30/41/385523041.db2.gz TULAKRCBLQSHDP-SECBINFHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C1([NH3+])CCCCC1 ZINC000309418763 385575202 /nfs/dbraw/zinc/57/52/02/385575202.db2.gz JNQNMGXGTPOSGG-SECBINFHSA-N 2 0 213.325 0.359 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000309365494 385550907 /nfs/dbraw/zinc/55/09/07/385550907.db2.gz BBHPGCCUFCCGIK-GUBZILKMSA-N 2 0 213.325 0.310 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000364991154 385557823 /nfs/dbraw/zinc/55/78/23/385557823.db2.gz YFSZXVXATLVWDQ-WOPDTQHZSA-N 2 0 239.363 0.522 20 0 BCADRP CC[C@@H](C(N)=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000309386262 385559679 /nfs/dbraw/zinc/55/96/79/385559679.db2.gz SEOICCAIBVWAQN-CMPLNLGQSA-N 2 0 225.336 0.278 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000054075661 385595359 /nfs/dbraw/zinc/59/53/59/385595359.db2.gz JCDGMDQPTJSIOV-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH+]1CCC(NC[C@H](C)C[NH2+]C)CC1 ZINC000414850094 385630400 /nfs/dbraw/zinc/63/04/00/385630400.db2.gz YROXCPOIJDKQQW-LLVKDONJSA-N 2 0 213.369 0.916 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000337418082 385645732 /nfs/dbraw/zinc/64/57/32/385645732.db2.gz SLLYIOMEUFUXPE-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000647723975 385655182 /nfs/dbraw/zinc/65/51/82/385655182.db2.gz BPDYTGCOIPKNNT-DBIOUOCHSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000647724543 385657975 /nfs/dbraw/zinc/65/79/75/385657975.db2.gz ROPDXXPOCKJGJC-KQSJRHEJSA-N 2 0 237.347 0.241 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)N1CCC[NH2+]CC1 ZINC000309540996 385673728 /nfs/dbraw/zinc/67/37/28/385673728.db2.gz FXPIOHYVVXVLGN-NSHDSACASA-N 2 0 225.336 0.341 20 0 BCADRP CC[NH+](CC)CC(=O)NCCOCC[NH+](C)C ZINC000337470137 385675975 /nfs/dbraw/zinc/67/59/75/385675975.db2.gz QRLMUKQMZRRBSR-UHFFFAOYSA-N 2 0 245.367 0.023 20 0 BCADRP C[NH2+]CCC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645220972 385686618 /nfs/dbraw/zinc/68/66/18/385686618.db2.gz FUXWRPDZQVGJBK-UHFFFAOYSA-N 2 0 248.330 0.340 20 0 BCADRP OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647792996 385697738 /nfs/dbraw/zinc/69/77/38/385697738.db2.gz HEJSUWIEEOUPPI-MEBFFEOJSA-N 2 0 236.359 0.901 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CC[NH3+] ZINC000309594588 385718081 /nfs/dbraw/zinc/71/80/81/385718081.db2.gz HZYOOHBOFVHCSE-VIFPVBQESA-N 2 0 201.314 0.180 20 0 BCADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NCCF ZINC000337563410 385709655 /nfs/dbraw/zinc/70/96/55/385709655.db2.gz WWAUTRGSGFCNCI-GARJFASQSA-N 2 0 245.342 0.533 20 0 BCADRP CC[C@H](COC)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000336698695 385753919 /nfs/dbraw/zinc/75/39/19/385753919.db2.gz VPJHSRHUTJWNFK-AXFHLTTASA-N 2 0 200.326 0.999 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000257708815 385774340 /nfs/dbraw/zinc/77/43/40/385774340.db2.gz QFIMTYAEKMKSFF-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](C)C[NH2+]C ZINC000336737513 385799388 /nfs/dbraw/zinc/79/93/88/385799388.db2.gz JLTXTQWQYLWFKX-GXSJLCMTSA-N 2 0 215.341 0.476 20 0 BCADRP C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)NC1CC1 ZINC000647799458 385800922 /nfs/dbraw/zinc/80/09/22/385800922.db2.gz HKZZVGDUEFPEEK-DMDPSCGWSA-N 2 0 223.364 0.716 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647799828 385802889 /nfs/dbraw/zinc/80/28/89/385802889.db2.gz QHUMLYMKUFNDAR-IEECTRCBSA-N 2 0 240.347 0.378 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000340157389 385805804 /nfs/dbraw/zinc/80/58/04/385805804.db2.gz WEWTUXBSCYNQNY-VWYCJHECSA-N 2 0 227.352 0.700 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000261641856 385827562 /nfs/dbraw/zinc/82/75/62/385827562.db2.gz DSYXWGJIFXNVBJ-VXGBXAGGSA-N 2 0 233.315 0.555 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000340184666 385831043 /nfs/dbraw/zinc/83/10/43/385831043.db2.gz HNTYYXNKAPTEGH-NXEZZACHSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@]1(C)CC[NH2+]C1 ZINC000414953944 385835245 /nfs/dbraw/zinc/83/52/45/385835245.db2.gz MHTUJKCNTAPFRB-SDDRHHMPSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@](C[NH3+])(NC(=O)c1ccc(C[NH3+])o1)C1CC1 ZINC000647807021 385854296 /nfs/dbraw/zinc/85/42/96/385854296.db2.gz YWRBQYHRXPUNFA-GFCCVEGCSA-N 2 0 237.303 0.596 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000186809106 385797144 /nfs/dbraw/zinc/79/71/44/385797144.db2.gz NPEHFRDXZYORBE-DCAQKATOSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000186809124 385797630 /nfs/dbraw/zinc/79/76/30/385797630.db2.gz NPEHFRDXZYORBE-OUAUKWLOSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647845302 385885819 /nfs/dbraw/zinc/88/58/19/385885819.db2.gz USNMXVBPQDOXNY-AAEUAGOBSA-N 2 0 249.358 0.945 20 0 BCADRP C[C@H]1C[N@H+](Cc2ccn(C)c(=O)c2)CC[C@@H]1[NH3+] ZINC000647844384 385895416 /nfs/dbraw/zinc/89/54/16/385895416.db2.gz RNPDGQFOAFKAJN-JQWIXIFHSA-N 2 0 235.331 0.554 20 0 BCADRP C[N@H+](CCC[NH3+])CCC(=O)Nc1cccnc1 ZINC000647847172 385896803 /nfs/dbraw/zinc/89/68/03/385896803.db2.gz DRNVXRCEKHBNGU-UHFFFAOYSA-N 2 0 236.319 0.691 20 0 BCADRP CC(C)N1CCC[C@H](N(C)CCC[NH3+])C1=O ZINC000647848093 385898516 /nfs/dbraw/zinc/89/85/16/385898516.db2.gz DDTMXULXCPVYRV-NSHDSACASA-N 2 0 227.352 0.666 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000647848451 385899173 /nfs/dbraw/zinc/89/91/73/385899173.db2.gz RXJZSSZSGPNPSV-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@@H](C(=O)NC(C)(C)C[NH+](C)C)[NH+](C)C ZINC000413852419 385900038 /nfs/dbraw/zinc/90/00/38/385900038.db2.gz ABIQHHYMJDMGHC-JTQLQIEISA-N 2 0 229.368 0.783 20 0 BCADRP C[C@H]1CN(CCN2CC[NH2+]CC2(C)C)CCO1 ZINC000647852826 385905179 /nfs/dbraw/zinc/90/51/79/385905179.db2.gz CNLXTCKGJSZHCF-LBPRGKRZSA-N 2 0 241.379 0.391 20 0 BCADRP C[C@@]([NH3+])(C(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000262905997 385906161 /nfs/dbraw/zinc/90/61/61/385906161.db2.gz QEEACLDTDVPXDQ-OCCSQVGLSA-N 2 0 247.342 0.810 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000647858639 385914411 /nfs/dbraw/zinc/91/44/11/385914411.db2.gz WCMWGIFZNHXLDT-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)CCC(C)(C)[NH3+] ZINC000647811068 385862314 /nfs/dbraw/zinc/86/23/14/385862314.db2.gz VNPWWGKZXQZHID-SNVBAGLBSA-N 2 0 229.368 0.994 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000647732534 385863984 /nfs/dbraw/zinc/86/39/84/385863984.db2.gz LYSPSFZZGOBOQV-JTQLQIEISA-N 2 0 248.330 0.568 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)NCC[C@H](C)[NH3+])cc1 ZINC000262627735 385867054 /nfs/dbraw/zinc/86/70/54/385867054.db2.gz GKCGAMJNASVNKH-CMPLNLGQSA-N 2 0 235.331 0.848 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000262624050 385867366 /nfs/dbraw/zinc/86/73/66/385867366.db2.gz FQYWBIACFDYBNF-OLZOCXBDSA-N 2 0 247.342 0.945 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000414959672 385869261 /nfs/dbraw/zinc/86/92/61/385869261.db2.gz TZALJKVKBFJRHS-SDDRHHMPSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000647816979 385870585 /nfs/dbraw/zinc/87/05/85/385870585.db2.gz TWMLEGSDEBGMII-WYUUTHIRSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000647818238 385870700 /nfs/dbraw/zinc/87/07/00/385870700.db2.gz FRIWMXQUWJXMIJ-KQSJRHEJSA-N 2 0 237.347 0.323 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000647816976 385870902 /nfs/dbraw/zinc/87/09/02/385870902.db2.gz TWMLEGSDEBGMII-KKOKHZNYSA-N 2 0 239.363 0.570 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H](C)C[NH3+])cc1 ZINC000262650050 385871071 /nfs/dbraw/zinc/87/10/71/385871071.db2.gz LCADJYAVRCCGBG-GXSJLCMTSA-N 2 0 221.304 0.458 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000647831335 385874279 /nfs/dbraw/zinc/87/42/79/385874279.db2.gz JIIGCBRCMLQMAI-NWDGAFQWSA-N 2 0 241.379 0.878 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000647831336 385874648 /nfs/dbraw/zinc/87/46/48/385874648.db2.gz JIIGCBRCMLQMAI-RYUDHWBXSA-N 2 0 241.379 0.878 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]([NH3+])CC(F)F ZINC000647828193 385876429 /nfs/dbraw/zinc/87/64/29/385876429.db2.gz GDZLOGRYCUSSOS-XCBNKYQSSA-N 2 0 237.294 0.459 20 0 BCADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C[NH+](C)C ZINC000647830144 385877704 /nfs/dbraw/zinc/87/77/04/385877704.db2.gz NUIWLJZNSMUSDJ-NXEZZACHSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)C[NH+](C)C ZINC000647830146 385878330 /nfs/dbraw/zinc/87/83/30/385878330.db2.gz NUIWLJZNSMUSDJ-VHSXEESVSA-N 2 0 213.325 0.099 20 0 BCADRP [NH3+][C@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000647829333 385878781 /nfs/dbraw/zinc/87/87/81/385878781.db2.gz KAXTVMDHRUENGP-LBPRGKRZSA-N 2 0 211.353 0.799 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)C12CCC[NH+]1CCC2 ZINC000335017890 385976255 /nfs/dbraw/zinc/97/62/55/385976255.db2.gz AGDOZJQTWKTEGV-NSHDSACASA-N 2 0 237.347 0.483 20 0 BCADRP C[C@H](CS(C)(=O)=O)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336749008 385989891 /nfs/dbraw/zinc/98/98/91/385989891.db2.gz TVIUNCJTLJQROK-SNVBAGLBSA-N 2 0 246.376 0.271 20 0 BCADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639020463 385931474 /nfs/dbraw/zinc/93/14/74/385931474.db2.gz FSSYLBDGDCANNS-KIJLLGNVSA-N 2 0 249.358 0.052 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639020123 385931487 /nfs/dbraw/zinc/93/14/87/385931487.db2.gz CKSZREKORUHGLG-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP C[C@H](C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21)[NH+](C)C ZINC000639020082 385932312 /nfs/dbraw/zinc/93/23/12/385932312.db2.gz JPORKPRXZKXTNY-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21)[NH+](C)C ZINC000639020086 385933454 /nfs/dbraw/zinc/93/34/54/385933454.db2.gz JPORKPRXZKXTNY-SRVKXCTJSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NCC1=CC[N@H+](C)CC1 ZINC000335041467 385933886 /nfs/dbraw/zinc/93/38/86/385933886.db2.gz ICLAEQBFZMGTJL-WCQYABFASA-N 2 0 223.364 0.836 20 0 BCADRP C[C@H]1CCNC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000335043297 385935261 /nfs/dbraw/zinc/93/52/61/385935261.db2.gz VLMLGCUHIFUXTE-WCQYABFASA-N 2 0 225.380 0.916 20 0 BCADRP C[C@H](CN1CCOCC1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647924145 385940792 /nfs/dbraw/zinc/94/07/92/385940792.db2.gz ITESGQZQLLEUAX-GFCCVEGCSA-N 2 0 241.379 0.520 20 0 BCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CCCC[NH3+] ZINC000521437839 385942909 /nfs/dbraw/zinc/94/29/09/385942909.db2.gz FYCJMOKDDYNESW-LBPRGKRZSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000335051640 385948553 /nfs/dbraw/zinc/94/85/53/385948553.db2.gz STVCZEHDFXWFSA-MNOVXSKESA-N 2 0 212.337 0.879 20 0 BCADRP [NH3+]C[C@H](C(=O)N[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000295222370 385993741 /nfs/dbraw/zinc/99/37/41/385993741.db2.gz RDMRYNLCFXQZGX-QWHCGFSZSA-N 2 0 247.342 0.582 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)CC[NH3+] ZINC000417446116 385954400 /nfs/dbraw/zinc/95/44/00/385954400.db2.gz JRBZRUYNYCGKJZ-JTQLQIEISA-N 2 0 230.356 0.317 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC(C)(C)[NH3+] ZINC000417446599 385955603 /nfs/dbraw/zinc/95/56/03/385955603.db2.gz MHTMSKLPQUUGNA-SNVBAGLBSA-N 2 0 244.383 0.753 20 0 BCADRP CC1([NH3+])CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000647924683 385956997 /nfs/dbraw/zinc/95/69/97/385956997.db2.gz CLZAIBKRUOSWFB-GFCCVEGCSA-N 2 0 242.363 0.995 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000263226058 385959017 /nfs/dbraw/zinc/95/90/17/385959017.db2.gz CFWRVUHBXLWIDB-QWHCGFSZSA-N 2 0 247.342 0.930 20 0 BCADRP COc1ccc2c(c1)[C@@H]([NH3+])CCN2C(=O)[C@H](C)[NH3+] ZINC000365220605 385960303 /nfs/dbraw/zinc/96/03/03/385960303.db2.gz HYUXTKXRFCLTLV-KWQFWETISA-N 2 0 249.314 0.779 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365228854 385964964 /nfs/dbraw/zinc/96/49/64/385964964.db2.gz USBFYTMMUQJWGI-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000366887003 385966230 /nfs/dbraw/zinc/96/62/30/385966230.db2.gz ZFBCJEXKMLMCJQ-NEPJUHHUSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000647865884 385999253 /nfs/dbraw/zinc/99/92/53/385999253.db2.gz WKQPLVWQHMUOMR-XQQFMLRXSA-N 2 0 241.379 0.424 20 0 BCADRP C[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1nccs1 ZINC000336750385 386003354 /nfs/dbraw/zinc/00/33/54/386003354.db2.gz UUJLVSOLAXPFKC-KOLCDFICSA-N 2 0 241.360 0.860 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000295293926 386007392 /nfs/dbraw/zinc/00/73/92/386007392.db2.gz UMUAUIUKQTXZOM-RYUDHWBXSA-N 2 0 235.331 0.848 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])c1ccccc1C ZINC000295307730 386010643 /nfs/dbraw/zinc/01/06/43/386010643.db2.gz VTZFTWQJRYLIBZ-ZYHUDNBSSA-N 2 0 235.331 0.848 20 0 BCADRP C[NH2+]CC1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000309454004 386012537 /nfs/dbraw/zinc/01/25/37/386012537.db2.gz NDYKPZUHSIMFSD-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@]1(O)CCC[N@H+](CCn2ccnc2)C1 ZINC000124304011 386019494 /nfs/dbraw/zinc/01/94/94/386019494.db2.gz ICNNTZNGYXGQAH-LLVKDONJSA-N 2 0 209.293 0.730 20 0 BCADRP CC[N@H+](C)CCNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000338479020 386019607 /nfs/dbraw/zinc/01/96/07/386019607.db2.gz MXBVZUKTMMNQDX-NSHDSACASA-N 2 0 244.383 0.578 20 0 BCADRP CC[N@H+](CCNC(=O)N[C@@H](C)CC[NH3+])C(C)C ZINC000417463786 386019690 /nfs/dbraw/zinc/01/96/90/386019690.db2.gz PMGBGQMJXHLSSG-NSHDSACASA-N 2 0 244.383 0.753 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000335072115 386024205 /nfs/dbraw/zinc/02/42/05/386024205.db2.gz CHCSRGVOVRLTGV-OLZOCXBDSA-N 2 0 245.326 0.521 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccnn1C ZINC000128845794 386028222 /nfs/dbraw/zinc/02/82/22/386028222.db2.gz MEHGHSIOTSYCJR-JQWIXIFHSA-N 2 0 222.336 0.850 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638250739 386052619 /nfs/dbraw/zinc/05/26/19/386052619.db2.gz KMMQAEMAGOWVFO-SNVBAGLBSA-N 2 0 225.336 0.668 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638250738 386053068 /nfs/dbraw/zinc/05/30/68/386053068.db2.gz KMMQAEMAGOWVFO-JTQLQIEISA-N 2 0 225.336 0.668 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000295235814 385996142 /nfs/dbraw/zinc/99/61/42/385996142.db2.gz OKNKPSAPQFKYAN-AAEUAGOBSA-N 2 0 235.331 0.714 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CN(CCC2CC[NH2+]CC2)CCO1 ZINC000647865688 385996558 /nfs/dbraw/zinc/99/65/58/385996558.db2.gz QDDJOCIDBKSEFY-DGCLKSJQSA-N 2 0 241.379 0.424 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CN(CCC2CC[NH2+]CC2)CCO1 ZINC000647865690 385996838 /nfs/dbraw/zinc/99/68/38/385996838.db2.gz QDDJOCIDBKSEFY-YPMHNXCESA-N 2 0 241.379 0.424 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000295235817 385997026 /nfs/dbraw/zinc/99/70/26/385997026.db2.gz OKNKPSAPQFKYAN-YPMHNXCESA-N 2 0 235.331 0.714 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647870884 386100541 /nfs/dbraw/zinc/10/05/41/386100541.db2.gz JMSUNTJBDJHRHL-WHOHXGKFSA-N 2 0 239.363 0.284 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647870883 386102033 /nfs/dbraw/zinc/10/20/33/386102033.db2.gz JMSUNTJBDJHRHL-KXNHARMFSA-N 2 0 239.363 0.284 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000054133509 386109227 /nfs/dbraw/zinc/10/92/27/386109227.db2.gz YPDWMJJMMVTINT-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP CCC[N@H+](CC)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414666409 386112037 /nfs/dbraw/zinc/11/20/37/386112037.db2.gz GFPAHBFWRAPFRP-LBPRGKRZSA-N 2 0 241.379 0.916 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)/C=C/C[NH+](C)C ZINC000287317981 386112348 /nfs/dbraw/zinc/11/23/48/386112348.db2.gz WSZSIZCKJBSUMO-FGEFZZPRSA-N 2 0 213.325 0.171 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000054342388 386121775 /nfs/dbraw/zinc/12/17/75/386121775.db2.gz KYDZDIPCKUPBON-NWDGAFQWSA-N 2 0 241.379 0.819 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCNC[C@@H]2C)CC[NH2+]1 ZINC000414652797 386075433 /nfs/dbraw/zinc/07/54/33/386075433.db2.gz HJNXDOKASDHYMI-WOPDTQHZSA-N 2 0 211.353 0.668 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365404406 386077726 /nfs/dbraw/zinc/07/77/26/386077726.db2.gz PQETYIFGGAUISK-VXGBXAGGSA-N 2 0 230.352 0.410 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]2CN)CC[NH2+]1 ZINC000414655865 386081136 /nfs/dbraw/zinc/08/11/36/386081136.db2.gz HUABUNAIJXZJKE-UTUOFQBUSA-N 2 0 211.353 0.798 20 0 BCADRP [NH3+]CCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000414656497 386085755 /nfs/dbraw/zinc/08/57/55/386085755.db2.gz NBJYMOYULXDEBL-LBPRGKRZSA-N 3 0 211.353 0.799 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC([NH+](C)C)C1 ZINC000345282967 386088692 /nfs/dbraw/zinc/08/86/92/386088692.db2.gz JCYVQBANXFUELU-UHFFFAOYSA-N 2 0 213.325 0.101 20 0 BCADRP CC[N@@H+]1CC[C@H](NCC[NH2+]CCOC)[C@@H](C)C1 ZINC000414887616 386092885 /nfs/dbraw/zinc/09/28/85/386092885.db2.gz QSFBLTPZUJRKRE-STQMWFEESA-N 2 0 243.395 0.542 20 0 BCADRP C[NH2+]CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000237078048 259680911 /nfs/dbraw/zinc/68/09/11/259680911.db2.gz JCJJZPMNYGAWTG-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000647874949 386144319 /nfs/dbraw/zinc/14/43/19/386144319.db2.gz LNKUVQIQDXZREK-YTWAJWBKSA-N 2 0 225.336 0.371 20 0 BCADRP C[N@H+](CCNC(=O)c1ccnc(C[NH3+])c1)C1CC1 ZINC000130271004 386149886 /nfs/dbraw/zinc/14/98/86/386149886.db2.gz VPJVXQCPAYUZNT-UHFFFAOYSA-N 2 0 248.330 0.364 20 0 BCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000334476061 386153777 /nfs/dbraw/zinc/15/37/77/386153777.db2.gz OLNYYAOQUAVMJR-ZYHUDNBSSA-N 2 0 237.347 0.434 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000353182741 386155623 /nfs/dbraw/zinc/15/56/23/386155623.db2.gz KNABFWFWOCHZEE-ADEWGFFLSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)[N@@H+](CC(N)=O)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414677801 386158178 /nfs/dbraw/zinc/15/81/78/386158178.db2.gz JTFVWQXOFBKMNZ-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)C ZINC000346182022 386161738 /nfs/dbraw/zinc/16/17/38/386161738.db2.gz CHYLZIVRFCQXTO-JTQLQIEISA-N 2 0 215.341 0.393 20 0 BCADRP C[C@H](C[NH+](C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC000346139246 386165638 /nfs/dbraw/zinc/16/56/38/386165638.db2.gz NZXCALPCGXPATQ-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@@H]([NH3+])c1cn(C[C@@H](O)C[N@H+](C)CC)nn1 ZINC000310315111 386172547 /nfs/dbraw/zinc/17/25/47/386172547.db2.gz XIFFNPRRHJPJGR-VHSXEESVSA-N 2 0 241.339 0.001 20 0 BCADRP CC(C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414995263 386175206 /nfs/dbraw/zinc/17/52/06/386175206.db2.gz WANHIBUCIWCALI-VIFPVBQESA-N 2 0 239.285 0.821 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCNC(=O)[C@@H]2C)CC[NH2+]1 ZINC000414691135 386185389 /nfs/dbraw/zinc/18/53/89/386185389.db2.gz JASGFVALVCYLFH-VWYCJHECSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H](C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2)[C@H](C)[NH3+] ZINC000310136365 386135014 /nfs/dbraw/zinc/13/50/14/386135014.db2.gz ZNPSZYOBXJFWRT-JFGNBEQYSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000310136364 386135883 /nfs/dbraw/zinc/13/58/83/386135883.db2.gz ZNPSZYOBXJFWRT-JBLDHEPKSA-N 2 0 239.363 0.522 20 0 BCADRP COC[C@H](O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000338781530 386138706 /nfs/dbraw/zinc/13/87/06/386138706.db2.gz CBZNCOGBESDYJS-GFCCVEGCSA-N 2 0 244.379 0.846 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)CCC(C)(C)[NH3+])CCO1 ZINC000647874970 386143748 /nfs/dbraw/zinc/14/37/48/386143748.db2.gz OBKMGVUKPBKWKA-NXEZZACHSA-N 2 0 243.351 0.079 20 0 BCADRP COCC[N@H+](CCO)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414699315 386202235 /nfs/dbraw/zinc/20/22/35/386202235.db2.gz SXEYOOPEIPSINP-NEPJUHHUSA-N 2 0 230.352 0.315 20 0 BCADRP CCC[N@@H+](CC(=O)NC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414700658 386206875 /nfs/dbraw/zinc/20/68/75/386206875.db2.gz ZQAYSWPENXAVQV-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP CCC(=O)N[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647882932 386233721 /nfs/dbraw/zinc/23/37/21/386233721.db2.gz PZMRLLBTCIYKRA-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1[C@H](C)SCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000132419451 386234545 /nfs/dbraw/zinc/23/45/45/386234545.db2.gz VRNGDZONYRYKGI-NEPJUHHUSA-N 2 0 243.420 0.717 20 0 BCADRP CCC(=O)N[C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647882931 386234906 /nfs/dbraw/zinc/23/49/06/386234906.db2.gz PZMRLLBTCIYKRA-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N[C@H](C)CC[NH3+])cc1 ZINC000430622693 386237573 /nfs/dbraw/zinc/23/75/73/386237573.db2.gz FXUNQAYQELMSHV-PWSUYJOCSA-N 2 0 235.331 0.848 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H](C)CC[NH3+])cc1 ZINC000430622690 386237812 /nfs/dbraw/zinc/23/78/12/386237812.db2.gz FXUNQAYQELMSHV-JQWIXIFHSA-N 2 0 235.331 0.848 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000288892821 386240143 /nfs/dbraw/zinc/24/01/43/386240143.db2.gz AXXSSNNQFCRLQZ-QKCSRTOESA-N 2 0 247.342 0.809 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C[C@H](C)[NH3+])CC[NH2+]1 ZINC000309408497 386242110 /nfs/dbraw/zinc/24/21/10/386242110.db2.gz IGKXBEILNVYLRB-VHSXEESVSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@@H]1CC[NH2+]C1 ZINC000647987983 386289676 /nfs/dbraw/zinc/28/96/76/386289676.db2.gz BPULNSUKBHCZEQ-DDHJBXDOSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@]1(CNC[C@@]2(C)CCC[NH2+]C2)CC[NH2+]C1 ZINC000414900872 386290898 /nfs/dbraw/zinc/29/08/98/386290898.db2.gz FIUYZBLTJDBIIX-STQMWFEESA-N 2 0 225.380 0.965 20 0 BCADRP COc1ccccc1[C@@H]1C[NH2+]CCN1CCC[NH3+] ZINC000414734829 386294049 /nfs/dbraw/zinc/29/40/49/386294049.db2.gz LGFPDYZLFUXZBI-ZDUSSCGKSA-N 2 0 249.358 0.990 20 0 BCADRP Cc1nnc([C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)[nH]1 ZINC000647988410 386302436 /nfs/dbraw/zinc/30/24/36/386302436.db2.gz FWXPFLOVJSKIIA-NWDGAFQWSA-N 2 0 249.362 0.902 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)NC[C@H]([NH3+])C2CC2)[C@H]1C ZINC000331942070 386309341 /nfs/dbraw/zinc/30/93/41/386309341.db2.gz XRXGWSJEGLIOLS-QXEWZRGKSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@](C)(C(N)=O)C2)CC[NH2+]1 ZINC000414739965 386317821 /nfs/dbraw/zinc/31/78/21/386317821.db2.gz CNUMLXHXAJGXRF-NQBHXWOUSA-N 2 0 239.363 0.572 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092004611 386318781 /nfs/dbraw/zinc/31/87/81/386318781.db2.gz XPUDXSLXMNLPDD-WOPDTQHZSA-N 2 0 239.363 0.809 20 0 BCADRP CN(C)c1ncc(CN2CCC[C@H](C[NH3+])C2)cn1 ZINC000347160462 386263491 /nfs/dbraw/zinc/26/34/91/386263491.db2.gz GZKZMGQZRVOXTQ-LLVKDONJSA-N 2 0 249.362 0.713 20 0 BCADRP C[NH+](C)C[C@H]1CC[N@H+](CC2(C)COC2)C1 ZINC000336649913 386263553 /nfs/dbraw/zinc/26/35/53/386263553.db2.gz RXGGHPSCJXAOCW-LLVKDONJSA-N 2 0 212.337 0.906 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000339134249 386264932 /nfs/dbraw/zinc/26/49/32/386264932.db2.gz UCGCEPAXYKLIEY-NXEZZACHSA-N 2 0 215.341 0.297 20 0 BCADRP CC[NH+](CC)CC(=O)NCC1([NH+](C)C)CC1 ZINC000416301640 386267490 /nfs/dbraw/zinc/26/74/90/386267490.db2.gz MAXJIQBLNDRNDI-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000347176740 386270001 /nfs/dbraw/zinc/27/00/01/386270001.db2.gz QYPKCQQGKUWFKO-YPMHNXCESA-N 2 0 223.364 0.812 20 0 BCADRP CCC[N@H+](C)CC(=O)NCCCC[NH3+] ZINC000309534493 386275965 /nfs/dbraw/zinc/27/59/65/386275965.db2.gz FBBHSHMFSPHTJD-UHFFFAOYSA-N 2 0 201.314 0.183 20 0 BCADRP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000414746656 386346058 /nfs/dbraw/zinc/34/60/58/386346058.db2.gz SOYBQGUUBYMYGM-WOPDTQHZSA-N 2 0 214.353 0.920 20 0 BCADRP C[C@H](C[NH3+])NC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000417552222 386356270 /nfs/dbraw/zinc/35/62/70/386356270.db2.gz QCOKGDODENEEMZ-RKDXNWHRSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@@H]1C[C@@H](C[N@H+]2CC(=O)N(C)[C@H](C)C2)CC[NH2+]1 ZINC000414748846 386362361 /nfs/dbraw/zinc/36/23/61/386362361.db2.gz XIWKLLIMKZNRCC-UTUOFQBUSA-N 2 0 239.363 0.537 20 0 BCADRP OCCCOC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647889965 386362466 /nfs/dbraw/zinc/36/24/66/386362466.db2.gz CASCRKBJJSAOBE-GFCCVEGCSA-N 2 0 242.363 0.459 20 0 BCADRP CC[NH2+]CCCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000637808626 386372247 /nfs/dbraw/zinc/37/22/47/386372247.db2.gz KPTBSQASRMXMAF-JTQLQIEISA-N 2 0 211.309 0.150 20 0 BCADRP CC(C)[NH+](CCNC(=O)N[C@@H](C)C[NH3+])C(C)C ZINC000416797277 386387506 /nfs/dbraw/zinc/38/75/06/386387506.db2.gz AKNHQZXTCIJMKH-NSHDSACASA-N 2 0 244.383 0.752 20 0 BCADRP CC[NH+](CC)CCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000416788061 386382770 /nfs/dbraw/zinc/38/27/70/386382770.db2.gz HRPOLACBLIMHBY-NSHDSACASA-N 2 0 242.367 0.365 20 0 BCADRP C[C@]1(C[NH2+]CC2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000414902740 386331275 /nfs/dbraw/zinc/33/12/75/386331275.db2.gz HNPOJNLCOLVQHU-ZDUSSCGKSA-N 3 0 225.380 0.965 20 0 BCADRP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000414753220 386386045 /nfs/dbraw/zinc/38/60/45/386386045.db2.gz LXRPECMORBYHJA-ZYHUDNBSSA-N 2 0 227.352 0.557 20 0 BCADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2C[C@@H]2[NH3+])c1 ZINC000335275529 386335164 /nfs/dbraw/zinc/33/51/64/386335164.db2.gz ISNYGEQUUTYWEM-MNOVXSKESA-N 2 0 219.288 0.739 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)NCC(C)(C)[NH3+] ZINC000417606763 386439315 /nfs/dbraw/zinc/43/93/15/386439315.db2.gz FKPQDDDJPJCVCT-UHFFFAOYSA-N 2 0 244.383 0.755 20 0 BCADRP [NH3+]CCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000414767881 386442666 /nfs/dbraw/zinc/44/26/66/386442666.db2.gz JNYDVADGRGQFEC-GFCCVEGCSA-N 3 0 211.353 0.657 20 0 BCADRP C[C@@H]1CCN(C[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000647992607 386446453 /nfs/dbraw/zinc/44/64/53/386446453.db2.gz RIZUEMNSFVPHKA-GRYCIOLGSA-N 2 0 211.353 0.513 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000637855127 386447687 /nfs/dbraw/zinc/44/76/87/386447687.db2.gz QPHOJDFGYGAPOS-SNVBAGLBSA-N 2 0 237.303 0.514 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000637855126 386448114 /nfs/dbraw/zinc/44/81/14/386448114.db2.gz QPHOJDFGYGAPOS-JTQLQIEISA-N 2 0 237.303 0.514 20 0 BCADRP CC[NH+](CC)CCCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000416825025 386392045 /nfs/dbraw/zinc/39/20/45/386392045.db2.gz YPJNGOHIQBYZGZ-MNOVXSKESA-N 2 0 244.383 0.753 20 0 BCADRP CC[NH+](CC)CCCNC(=O)NCC(C)(C)[NH3+] ZINC000416820305 386392802 /nfs/dbraw/zinc/39/28/02/386392802.db2.gz SBXMDRRZUUTSKI-UHFFFAOYSA-N 2 0 244.383 0.755 20 0 BCADRP CC[NH+](CC)CCCNC(=O)NCC[NH2+]C ZINC000416822290 386393049 /nfs/dbraw/zinc/39/30/49/386393049.db2.gz VPSLOTFELNUOJG-UHFFFAOYSA-N 2 0 230.356 0.237 20 0 BCADRP CC[NH+](CC)CCNC(=O)N(C)C1CC([NH3+])C1 ZINC000416806282 386397336 /nfs/dbraw/zinc/39/73/36/386397336.db2.gz ZLIWKZDYGUNQOQ-UHFFFAOYSA-N 2 0 242.367 0.459 20 0 BCADRP CC[NH+](CC)CCCNC(=O)N[C@H](C)C[NH3+] ZINC000416819311 386400890 /nfs/dbraw/zinc/40/08/90/386400890.db2.gz RFTARPWSHTWGAF-SNVBAGLBSA-N 2 0 230.356 0.365 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCOC1 ZINC000336776795 386402885 /nfs/dbraw/zinc/40/28/85/386402885.db2.gz GRQMVGDQRMAURF-GFCCVEGCSA-N 2 0 230.352 0.723 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000637829283 386405583 /nfs/dbraw/zinc/40/55/83/386405583.db2.gz KEYNSDKJOCDJMJ-CABZTGNLSA-N 2 0 237.347 0.620 20 0 BCADRP CC1CC[NH+](CCCNC(=O)NCC[NH3+])CC1 ZINC000416870692 386405788 /nfs/dbraw/zinc/40/57/88/386405788.db2.gz IVIXEOCBJHDUHX-UHFFFAOYSA-N 2 0 242.367 0.366 20 0 BCADRP CC(C)C[NH+]1CCC(NC(=O)NCC[NH3+])CC1 ZINC000416934976 386409098 /nfs/dbraw/zinc/40/90/98/386409098.db2.gz FOKNONYDAFAHTO-UHFFFAOYSA-N 2 0 242.367 0.365 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)C2(C)C[NH2+]C2)C1 ZINC000399142832 386419435 /nfs/dbraw/zinc/41/94/35/386419435.db2.gz CCFJTZHCSRQOSK-SNVBAGLBSA-N 2 0 225.336 0.054 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC[NH3+] ZINC000417584948 386420620 /nfs/dbraw/zinc/42/06/20/386420620.db2.gz NTAXNTVVEHGLFH-JTQLQIEISA-N 2 0 228.340 0.119 20 0 BCADRP C[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414761507 386421194 /nfs/dbraw/zinc/42/11/94/386421194.db2.gz UABRMEYMDMUEAR-KKOKHZNYSA-N 2 0 212.337 0.830 20 0 BCADRP CC1(C)C(=O)NCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000134490613 386421997 /nfs/dbraw/zinc/42/19/97/386421997.db2.gz JQJLTZJUZMQQHS-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000134557255 386424230 /nfs/dbraw/zinc/42/42/30/386424230.db2.gz AIMAZAYDEZTSIA-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])[NH+](C)C ZINC000228608980 386424271 /nfs/dbraw/zinc/42/42/71/386424271.db2.gz ZRTNETCKATYCIT-VGMNWLOBSA-N 2 0 201.314 0.036 20 0 BCADRP CC[N@H+](CCOCCO)CC[C@H]1CCC[NH+]1C ZINC000336713924 386429648 /nfs/dbraw/zinc/42/96/48/386429648.db2.gz RXEPSRLZVBSJGZ-CYBMUJFWSA-N 2 0 244.379 0.802 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000519402956 386429828 /nfs/dbraw/zinc/42/98/28/386429828.db2.gz MGPLAEDULRTXIL-GARJFASQSA-N 2 0 225.336 0.276 20 0 BCADRP C[N@H+](CCO)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000336712913 386430838 /nfs/dbraw/zinc/43/08/38/386430838.db2.gz RYJWWSARINWKTN-LBPRGKRZSA-N 2 0 242.363 0.411 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CC[NH2+]C[C@@](C)(F)C1 ZINC000414766187 386432498 /nfs/dbraw/zinc/43/24/98/386432498.db2.gz DHLRTJIYFUWXCI-NWDGAFQWSA-N 2 0 231.359 0.993 20 0 BCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)CC[NH3+] ZINC000417014263 386433582 /nfs/dbraw/zinc/43/35/82/386433582.db2.gz DAVHNOMKCOOKIG-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000417276324 386467990 /nfs/dbraw/zinc/46/79/90/386467990.db2.gz DOLXLPBYFCKDPS-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000417284876 386472953 /nfs/dbraw/zinc/47/29/53/386472953.db2.gz KLBVFHNUYLTPPD-ZJUUUORDSA-N 2 0 228.340 0.117 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000417284979 386473778 /nfs/dbraw/zinc/47/37/78/386473778.db2.gz KUNOOZNLAPPUAP-QWRGUYRKSA-N 2 0 242.367 0.363 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCC1 ZINC000335425498 386477949 /nfs/dbraw/zinc/47/79/49/386477949.db2.gz XSBXOKFOEAOEEJ-VHSXEESVSA-N 2 0 223.320 0.078 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC[N@H+](C)C1CC1 ZINC000417632821 386478239 /nfs/dbraw/zinc/47/82/39/386478239.db2.gz XIWYZYKOGBENLU-RKDXNWHRSA-N 2 0 228.340 0.116 20 0 BCADRP CN(C[C@H]1CCC[NH2+]C1)C1(C[NH3+])CCC1 ZINC000414776130 386478970 /nfs/dbraw/zinc/47/89/70/386478970.db2.gz DBYRZYKCRFISKI-NSHDSACASA-N 2 0 211.353 0.799 20 0 BCADRP CCN(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000340641930 386485080 /nfs/dbraw/zinc/48/50/80/386485080.db2.gz HFCUATCTMDPSKL-UHFFFAOYSA-N 2 0 227.352 0.668 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000335430629 386487059 /nfs/dbraw/zinc/48/70/59/386487059.db2.gz SKFAHXYKUKJJMS-JOYOIKCWSA-N 2 0 233.315 0.418 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183377349 386492853 /nfs/dbraw/zinc/49/28/53/386492853.db2.gz BHOKXCBSAUAUJT-GHMZBOCLSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)NCC(C)(C)[NH3+] ZINC000417317712 386496413 /nfs/dbraw/zinc/49/64/13/386496413.db2.gz JQXKIKVFCLNCQO-SECBINFHSA-N 2 0 230.356 0.363 20 0 BCADRP C([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000415013680 386496433 /nfs/dbraw/zinc/49/64/33/386496433.db2.gz VFWYTJLSGNVUPD-KWCYVHTRSA-N 3 0 237.391 0.964 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000417323117 386498961 /nfs/dbraw/zinc/49/89/61/386498961.db2.gz XNPDSXHMMKQUBM-ZJUUUORDSA-N 2 0 230.356 0.221 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H](C)C[NH3+] ZINC000417323116 386499222 /nfs/dbraw/zinc/49/92/22/386499222.db2.gz XNPDSXHMMKQUBM-VHSXEESVSA-N 2 0 230.356 0.221 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000519597863 386500377 /nfs/dbraw/zinc/50/03/77/386500377.db2.gz YASLXSDDXXJJRB-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000335442283 386501463 /nfs/dbraw/zinc/50/14/63/386501463.db2.gz FLKQKRRKNMWFEO-ZJUUUORDSA-N 2 0 223.320 0.221 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC[NH2+]C1 ZINC000062113082 386502165 /nfs/dbraw/zinc/50/21/65/386502165.db2.gz ANLZIXNSLIBXMF-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CCC1 ZINC000519601098 386505356 /nfs/dbraw/zinc/50/53/56/386505356.db2.gz NGWZIHYIMRLKFZ-UTUOFQBUSA-N 2 0 237.347 0.324 20 0 BCADRP Cn1ccnc1C[N@H+](C)CC1CC[NH2+]CC1 ZINC000062252323 386506479 /nfs/dbraw/zinc/50/64/79/386506479.db2.gz RTRBWEVIGIWDQB-UHFFFAOYSA-N 2 0 222.336 0.852 20 0 BCADRP CC[N@@H+]1CC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)C1 ZINC000415049142 386506377 /nfs/dbraw/zinc/50/63/77/386506377.db2.gz APZXROIHRNQVDO-KIJLLGNVSA-N 2 0 223.364 0.524 20 0 BCADRP COc1cccc(C[C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)n1 ZINC000415019954 386507982 /nfs/dbraw/zinc/50/79/82/386507982.db2.gz AJXBGADGOCJOGK-PQFRYHKHSA-N 2 0 247.342 0.829 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335446420 386513072 /nfs/dbraw/zinc/51/30/72/386513072.db2.gz QFVDBZSRXXOCQJ-QWRGUYRKSA-N 2 0 225.336 0.183 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335447636 386513875 /nfs/dbraw/zinc/51/38/75/386513875.db2.gz FLDCJWBPYRELAT-LBPRGKRZSA-N 3 0 225.380 0.964 20 0 BCADRP Cc1c[nH]nc1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000335447314 386514970 /nfs/dbraw/zinc/51/49/70/386514970.db2.gz DPQAQYJYHPDZBY-WDEREUQCSA-N 2 0 220.320 0.759 20 0 BCADRP C1C[NH2+][C@H]([C@@H]2CCC[C@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415029805 386516882 /nfs/dbraw/zinc/51/68/82/386516882.db2.gz CYCXECXCGNGSMT-BSCCGWMCSA-N 2 0 235.375 0.715 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC[C@H]1CCC[NH2+]C1 ZINC000335448782 386517028 /nfs/dbraw/zinc/51/70/28/386517028.db2.gz SFITWXSBEOKOCT-RYUDHWBXSA-N 2 0 225.380 0.964 20 0 BCADRP [NH3+]CC1(CN2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000335449220 386517470 /nfs/dbraw/zinc/51/74/70/386517470.db2.gz YWTOGMMJNGUQHH-GFCCVEGCSA-N 3 0 209.337 0.411 20 0 BCADRP c1ccc2c(c1)CC([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)C2 ZINC000415038177 386525200 /nfs/dbraw/zinc/52/52/00/386525200.db2.gz NMHZMDLBVKOBLJ-WDNDVIMCSA-N 2 0 214.312 0.961 20 0 BCADRP C[C@@H](C[NH2+][C@@H](C)CC(N)=O)C[NH+]1CCCC1 ZINC000336754835 386526129 /nfs/dbraw/zinc/52/61/29/386526129.db2.gz XIUDMTXVXCPLBG-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061645164 386526707 /nfs/dbraw/zinc/52/67/07/386526707.db2.gz KWQDRHCPSQJVEI-ZJUUUORDSA-N 2 0 213.325 0.276 20 0 BCADRP COCC(C)(C)C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415039921 386526954 /nfs/dbraw/zinc/52/69/54/386526954.db2.gz NLOPGEYHXSQTPZ-LLVKDONJSA-N 2 0 230.352 0.627 20 0 BCADRP Cc1ccncc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414786615 386527149 /nfs/dbraw/zinc/52/71/49/386527149.db2.gz XJYREUMJQMXZSV-UHFFFAOYSA-N 2 0 248.374 0.775 20 0 BCADRP C[NH2+]CCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000417143374 386454655 /nfs/dbraw/zinc/45/46/55/386454655.db2.gz UJDXYTHGUNMPPW-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@H](CNC(=O)NCCC[NH3+])C[NH+]1CCCC1 ZINC000417149564 386458135 /nfs/dbraw/zinc/45/81/35/386458135.db2.gz FPETZJGOFAQISS-LLVKDONJSA-N 2 0 242.367 0.366 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000335416558 386584517 /nfs/dbraw/zinc/58/45/17/386584517.db2.gz HOJKBKFDTAFJFX-AAEUAGOBSA-N 2 0 245.326 0.433 20 0 BCADRP CCn1cc(CNC[C@@H]([NH3+])C(C)C)cn1 ZINC000414799467 386592848 /nfs/dbraw/zinc/59/28/48/386592848.db2.gz RJJIVISNFMPIMR-LLVKDONJSA-N 2 0 210.325 0.976 20 0 BCADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)Cn1cccn1 ZINC000414789121 386536710 /nfs/dbraw/zinc/53/67/10/386536710.db2.gz FALZLFYDFVIBCT-GHMZBOCLSA-N 2 0 210.325 0.845 20 0 BCADRP CCC[C@H](C)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000519703084 386536700 /nfs/dbraw/zinc/53/67/00/386536700.db2.gz DUWAQSCVJSRLLC-TUAOUCFPSA-N 2 0 239.363 0.666 20 0 BCADRP Cc1ccc(CN(C)C[C@H](O)C[NH3+])s1 ZINC000415056782 386537275 /nfs/dbraw/zinc/53/72/75/386537275.db2.gz OMEHOWDTERYVDE-SECBINFHSA-N 2 0 214.334 0.808 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000417681832 386537372 /nfs/dbraw/zinc/53/73/72/386537372.db2.gz KDYCPSHGSCQPFA-ZJUUUORDSA-N 2 0 240.351 0.117 20 0 BCADRP Cc1ccc(CN(C)C[C@@H](O)C[NH3+])s1 ZINC000415056784 386538347 /nfs/dbraw/zinc/53/83/47/386538347.db2.gz OMEHOWDTERYVDE-VIFPVBQESA-N 2 0 214.334 0.808 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@H](C[NH3+])C2CC2)co1 ZINC000519709816 386538425 /nfs/dbraw/zinc/53/84/25/386538425.db2.gz IAVBXBFYSKZTQQ-SNVBAGLBSA-N 2 0 223.276 0.205 20 0 BCADRP [NH3+]CCCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415058335 386541901 /nfs/dbraw/zinc/54/19/01/386541901.db2.gz VLMKRLAVQUIGKP-RYUDHWBXSA-N 3 0 211.353 0.799 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000335465774 386551542 /nfs/dbraw/zinc/55/15/42/386551542.db2.gz WLOVBZUPDAJIOV-PHIMTYICSA-N 2 0 237.347 0.420 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000519771747 386554834 /nfs/dbraw/zinc/55/48/34/386554834.db2.gz MUDXMNPNBQCROI-LYFYHCNISA-N 2 0 223.267 0.068 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000417690161 386555711 /nfs/dbraw/zinc/55/57/11/386555711.db2.gz UMKVYFSOOMPBBS-NXEZZACHSA-N 2 0 240.351 0.260 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000417690162 386558114 /nfs/dbraw/zinc/55/81/14/386558114.db2.gz UMKVYFSOOMPBBS-UWVGGRQHSA-N 2 0 240.351 0.260 20 0 BCADRP O=C(NCC1CC[NH2+]CC1)[C@H]1CCCCC[NH2+]1 ZINC000519812046 386559836 /nfs/dbraw/zinc/55/98/36/386559836.db2.gz AQRMJSWPPIMRKP-GFCCVEGCSA-N 2 0 239.363 0.634 20 0 BCADRP [NH3+]CC[C@H](NC(=O)CC[NH2+]C1CC1)C(F)F ZINC000519832585 386567679 /nfs/dbraw/zinc/56/76/79/386567679.db2.gz JHXBXZGRDWGSHO-QMMMGPOBSA-N 2 0 235.278 0.227 20 0 BCADRP C[C@]1(C(=O)NC2CCC([NH3+])CC2)CCCC[NH2+]1 ZINC000136125749 386569042 /nfs/dbraw/zinc/56/90/42/386569042.db2.gz GZIQRNMRAXCQBD-GCZXYKMCSA-N 2 0 239.363 0.905 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000070582620 386571384 /nfs/dbraw/zinc/57/13/84/386571384.db2.gz ROMJXFPKZMEMHX-MWLCHTKSSA-N 2 0 225.336 0.276 20 0 BCADRP CCN(C)C(=O)[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000415109609 386619728 /nfs/dbraw/zinc/61/97/28/386619728.db2.gz RNVJMXGPTOULQD-VOMCLLRMSA-N 2 0 241.379 0.960 20 0 BCADRP O[C@@H](Cc1ccccc1)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000644919813 386621328 /nfs/dbraw/zinc/62/13/28/386621328.db2.gz BBQYVGNVSJHSCF-KFWWJZLASA-N 2 0 246.354 0.741 20 0 BCADRP COC(=O)C(C)(C)CC[NH2+]CC(C)(C)[NH3+] ZINC000414809655 386622401 /nfs/dbraw/zinc/62/24/01/386622401.db2.gz VXQUJPAIMLETOB-UHFFFAOYSA-N 2 0 216.325 0.903 20 0 BCADRP COc1ccc2c(c1)OC[C@@H](N[C@@H]1CC[NH2+]C1)C2 ZINC000415102113 386622770 /nfs/dbraw/zinc/62/27/70/386622770.db2.gz JIVKFCFJUCILEA-NEPJUHHUSA-N 2 0 248.326 0.950 20 0 BCADRP CC1(C(=O)NCC2([NH3+])CCCCC2)C[NH2+]C1 ZINC000335499402 386625131 /nfs/dbraw/zinc/62/51/31/386625131.db2.gz DHDQLEZMWRSVLS-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP c1cn(CCC[N@@H+]2CC[C@H](c3nnc[nH]3)C2)cn1 ZINC000425555137 386629074 /nfs/dbraw/zinc/62/90/74/386629074.db2.gz XNVLZHOLYSVYER-NSHDSACASA-N 2 0 246.318 0.881 20 0 BCADRP CO[C@@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C1CC1 ZINC000644932532 386629205 /nfs/dbraw/zinc/62/92/05/386629205.db2.gz GUJYLDLFINXGTO-XQQFMLRXSA-N 2 0 224.348 0.905 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000335507092 386638630 /nfs/dbraw/zinc/63/86/30/386638630.db2.gz KEKQWLBXMPIOJS-DTWKUNHWSA-N 2 0 211.309 0.111 20 0 BCADRP C[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000337190278 386642522 /nfs/dbraw/zinc/64/25/22/386642522.db2.gz SIWZLKHPEDARJX-WUHRBBMRSA-N 2 0 242.363 0.551 20 0 BCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCC[NH3+] ZINC000246225911 386642498 /nfs/dbraw/zinc/64/24/98/386642498.db2.gz HDYMTIVZIOGJAC-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000049575457 386647160 /nfs/dbraw/zinc/64/71/60/386647160.db2.gz OLNNWSVGLFXAIT-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942807 386647597 /nfs/dbraw/zinc/64/75/97/386647597.db2.gz SKWZOSIVWFMXHE-VHSXEESVSA-N 2 0 211.309 0.030 20 0 BCADRP O=C(C[NH2+]CC1CC1)NCC[NH+]1CCCCC1 ZINC000049575448 386647557 /nfs/dbraw/zinc/64/75/57/386647557.db2.gz BXWVXHISBVAKRU-UHFFFAOYSA-N 2 0 239.363 0.588 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000062942808 386648943 /nfs/dbraw/zinc/64/89/43/386648943.db2.gz SKWZOSIVWFMXHE-UWVGGRQHSA-N 2 0 211.309 0.030 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000335425032 386601278 /nfs/dbraw/zinc/60/12/78/386601278.db2.gz VJIGXVWJVYNCFV-SECBINFHSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]CCNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000335488560 386605224 /nfs/dbraw/zinc/60/52/24/386605224.db2.gz VJZGWHPPWDHECO-GFCCVEGCSA-N 2 0 248.330 0.213 20 0 BCADRP Cn1cc(CN2CCC[C@H](c3ncc[nH]3)C2)nn1 ZINC000328683719 386609469 /nfs/dbraw/zinc/60/94/69/386609469.db2.gz WKQGJPUMCFBJIZ-JTQLQIEISA-N 2 0 246.318 0.918 20 0 BCADRP CC[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@@H]1C[C@H]1C ZINC000520393204 386662624 /nfs/dbraw/zinc/66/26/24/386662624.db2.gz RYELNEAALFRMIP-UTUOFQBUSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000335522271 386663361 /nfs/dbraw/zinc/66/33/61/386663361.db2.gz SWWKCCAGURBZIJ-NSHDSACASA-N 2 0 227.352 0.666 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH3+])CC1 ZINC000428126470 386663664 /nfs/dbraw/zinc/66/36/64/386663664.db2.gz BXGLSZHNAUNFHR-UHFFFAOYSA-N 2 0 227.352 0.526 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000128882078 386664664 /nfs/dbraw/zinc/66/46/64/386664664.db2.gz ONVDALDOLUPRJY-VXGBXAGGSA-N 2 0 239.363 0.714 20 0 BCADRP C([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647979538 386665804 /nfs/dbraw/zinc/66/58/04/386665804.db2.gz JLCOERWEGWSWPI-UPJWGTAASA-N 3 0 223.364 0.527 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](C)[NH3+])C1 ZINC000062972606 386665812 /nfs/dbraw/zinc/66/58/12/386665812.db2.gz RNWQBLBLRWLBGO-ZJUUUORDSA-N 2 0 213.325 0.276 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)NCC1([NH3+])CCCCC1 ZINC000520404804 386668209 /nfs/dbraw/zinc/66/82/09/386668209.db2.gz TWMYADIZWXBUKK-MRVPVSSYSA-N 2 0 249.305 0.747 20 0 BCADRP C[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000414821507 386678773 /nfs/dbraw/zinc/67/87/73/386678773.db2.gz CIECSPCQWSYGRK-GRYCIOLGSA-N 3 0 211.353 0.716 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000414821512 386679003 /nfs/dbraw/zinc/67/90/03/386679003.db2.gz CIECSPCQWSYGRK-UTUOFQBUSA-N 3 0 211.353 0.716 20 0 BCADRP C[C@@]1(C[NH3+])CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000647954733 386680902 /nfs/dbraw/zinc/68/09/02/386680902.db2.gz UPHXJZGKZWLELD-RYUDHWBXSA-N 3 0 211.353 0.657 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000335519926 386656927 /nfs/dbraw/zinc/65/69/27/386656927.db2.gz BVJIJTUZAUFFQA-MNOVXSKESA-N 2 0 225.336 0.276 20 0 BCADRP CC(C)[NH+]1CCC([N@H+](C)CCOCC[NH3+])CC1 ZINC000357080414 386709810 /nfs/dbraw/zinc/70/98/10/386709810.db2.gz MDFCYNMFRPMDOZ-UHFFFAOYSA-N 3 0 243.395 0.766 20 0 BCADRP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CC[NH2+]1 ZINC000335481707 386710174 /nfs/dbraw/zinc/71/01/74/386710174.db2.gz YLIJSKDCQYQJQE-HTAVTVPLSA-N 2 0 237.347 0.481 20 0 BCADRP [NH3+]CCOCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000357069116 386710971 /nfs/dbraw/zinc/71/09/71/386710971.db2.gz HFLWONPLVRWPGP-UHFFFAOYSA-N 2 0 238.335 0.564 20 0 BCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000335468099 386683158 /nfs/dbraw/zinc/68/31/58/386683158.db2.gz KDRMCCISQAFKMB-NEPJUHHUSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000335475368 386698302 /nfs/dbraw/zinc/69/83/02/386698302.db2.gz AGSWKFKPNUXHAS-ZYHUDNBSSA-N 2 0 225.336 0.311 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000335475340 386698923 /nfs/dbraw/zinc/69/89/23/386698923.db2.gz AGSWKFKPNUXHAS-JQWIXIFHSA-N 2 0 225.336 0.311 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)C[C@H]21 ZINC000647907740 386699837 /nfs/dbraw/zinc/69/98/37/386699837.db2.gz NYCYNNIHSJQHON-FDYHWXHSSA-N 3 0 223.364 0.655 20 0 BCADRP [NH3+]CCC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000520579482 386700428 /nfs/dbraw/zinc/70/04/28/386700428.db2.gz YKVASIWJKWPNFE-UHFFFAOYSA-N 2 0 235.287 0.456 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000335476541 386701187 /nfs/dbraw/zinc/70/11/87/386701187.db2.gz CYRIANXMVJSMDN-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)CCC[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000336649002 386702231 /nfs/dbraw/zinc/70/22/31/386702231.db2.gz CVMWYGXUTQPIQJ-MNOVXSKESA-N 2 0 200.326 0.593 20 0 BCADRP CC(C)CCC[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000336648998 386702370 /nfs/dbraw/zinc/70/23/70/386702370.db2.gz CVMWYGXUTQPIQJ-GHMZBOCLSA-N 2 0 200.326 0.593 20 0 BCADRP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@H](C)[NH3+] ZINC000335478237 386704093 /nfs/dbraw/zinc/70/40/93/386704093.db2.gz QXNKQSPHRKTEBP-QWRGUYRKSA-N 2 0 227.352 0.522 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000414830329 386706708 /nfs/dbraw/zinc/70/67/08/386706708.db2.gz AXCLFDHQJFUADX-UNXYVOJBSA-N 2 0 213.369 0.949 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000114400719 386707220 /nfs/dbraw/zinc/70/72/20/386707220.db2.gz YINMLHVUXWVWFM-GFCCVEGCSA-N 2 0 241.379 0.737 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000335481691 386708777 /nfs/dbraw/zinc/70/87/77/386708777.db2.gz XQJGGKHXYBVCJE-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP C[NH2+]CCNCCN1C(=O)c2ccccc2C1=O ZINC000414836210 386731570 /nfs/dbraw/zinc/73/15/70/386731570.db2.gz VVXNPHBDKSNNPO-UHFFFAOYSA-N 2 0 247.298 0.092 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000269260660 386732100 /nfs/dbraw/zinc/73/21/00/386732100.db2.gz VNDVEHAONHEKRH-ZDUSSCGKSA-N 2 0 249.358 0.972 20 0 BCADRP C[NH+]1CCC(CCNC(=O)C2([NH3+])CC2)CC1 ZINC000122177669 386739761 /nfs/dbraw/zinc/73/97/61/386739761.db2.gz IHJZVGSPEUYPHP-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H](O)C[N@H+](CCOCC[NH3+])C1CCCCC1 ZINC000357084169 386715250 /nfs/dbraw/zinc/71/52/50/386715250.db2.gz ZANGOJIDBDZBCM-GFCCVEGCSA-N 2 0 244.379 0.977 20 0 BCADRP CN(CCC[NH2+]Cc1cc[nH]c1)CC[NH+](C)C ZINC000623087743 386722658 /nfs/dbraw/zinc/72/26/58/386722658.db2.gz GOMOHSGZMZQZCT-UHFFFAOYSA-N 2 0 238.379 0.988 20 0 BCADRP CN(CCC[NH2+]CC1(C)COC1)CC[NH+](C)C ZINC000623088030 386722679 /nfs/dbraw/zinc/72/26/79/386722679.db2.gz TVJZNMHJFPEHJQ-UHFFFAOYSA-N 2 0 243.395 0.496 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645105482 386724736 /nfs/dbraw/zinc/72/47/36/386724736.db2.gz RLXZMFGTWBLDPX-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC000044526689 386725062 /nfs/dbraw/zinc/72/50/62/386725062.db2.gz VLQBLWGWXGIIGA-CYBMUJFWSA-N 2 0 241.379 0.962 20 0 BCADRP O=C(CC[NH2+]C1CC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638507304 386727935 /nfs/dbraw/zinc/72/79/35/386727935.db2.gz GPUSQRJZQDDPCG-NSHDSACASA-N 2 0 237.347 0.529 20 0 BCADRP C[NH+](C)CCNC(=O)C1(C[NH3+])CCCC1 ZINC000044761374 386728563 /nfs/dbraw/zinc/72/85/63/386728563.db2.gz NHXTUYAIIHBEJO-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H](C)C[NH3+])C(C)C ZINC000357239580 386746343 /nfs/dbraw/zinc/74/63/43/386746343.db2.gz INXHDYNXWRZKGX-SNVBAGLBSA-N 2 0 215.341 0.428 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000357296195 386753208 /nfs/dbraw/zinc/75/32/08/386753208.db2.gz KURDHKRHHLMKSO-AJBSGBCOSA-N 2 0 227.352 0.472 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000357296198 386754242 /nfs/dbraw/zinc/75/42/42/386754242.db2.gz KURDHKRHHLMKSO-LADJIXMOSA-N 2 0 227.352 0.472 20 0 BCADRP C[C@H](C(=O)NCC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000269124737 386754962 /nfs/dbraw/zinc/75/49/62/386754962.db2.gz WQVMNKFOZFGHCD-LLVKDONJSA-N 2 0 235.331 0.582 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357319922 386759948 /nfs/dbraw/zinc/75/99/48/386759948.db2.gz YJUCRSIBSRLXBD-MDZLAQPJSA-N 2 0 241.379 0.829 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000357354514 386766311 /nfs/dbraw/zinc/76/63/11/386766311.db2.gz OCAYILQQKWKLAS-QWRGUYRKSA-N 2 0 227.352 0.844 20 0 BCADRP O=C1NCC[C@@H]1[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000269253536 386767928 /nfs/dbraw/zinc/76/79/28/386767928.db2.gz CLUQFIWGGAKRNJ-ZJUUUORDSA-N 2 0 234.303 0.478 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417829751 386789706 /nfs/dbraw/zinc/78/97/06/386789706.db2.gz ITGLGNQZWDTUFS-GXSJLCMTSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000417829261 386790082 /nfs/dbraw/zinc/79/00/82/386790082.db2.gz GGBHUZDPYZJEPB-MRBYEJRBSA-N 2 0 239.363 0.842 20 0 BCADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H](C)C[NH3+] ZINC000417831127 386791045 /nfs/dbraw/zinc/79/10/45/386791045.db2.gz KCIWLYXVDGVVEH-MFKMUULPSA-N 2 0 249.358 0.960 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000417810883 386791290 /nfs/dbraw/zinc/79/12/90/386791290.db2.gz IZQUPTVJIHVSSF-KKOKHZNYSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@@H]1C[NH3+] ZINC000417837323 386795746 /nfs/dbraw/zinc/79/57/46/386795746.db2.gz MDZDPBHWZUCWTH-OUAUKWLOSA-N 2 0 241.379 0.803 20 0 BCADRP CC1(C)C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CO1 ZINC000396537575 386770955 /nfs/dbraw/zinc/77/09/55/386770955.db2.gz QGNUALXGKPNNTJ-NWDGAFQWSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CC2(CC(N)=O)CC2)CC[N@@H+]1C ZINC000639273646 386775921 /nfs/dbraw/zinc/77/59/21/386775921.db2.gz TVBQVJPHHOHAPT-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000019410010 386778645 /nfs/dbraw/zinc/77/86/45/386778645.db2.gz LLCZNYYPOICZCT-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000417812606 386782182 /nfs/dbraw/zinc/78/21/82/386782182.db2.gz PVRZPUMMMGLRCP-IEBDPFPHSA-N 2 0 225.336 0.228 20 0 BCADRP CN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@@H](C[NH3+])C1CC1 ZINC000417827970 386783675 /nfs/dbraw/zinc/78/36/75/386783675.db2.gz DYFBDONLVVFZII-TUAOUCFPSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)C[C@H]([NH3+])CN[C@@H]1CC[NH2+]C[C@H]1C ZINC000414933839 386783929 /nfs/dbraw/zinc/78/39/29/386783929.db2.gz DSEBWXVHHHOJJH-GRYCIOLGSA-N 2 0 213.369 0.947 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000417827938 386784514 /nfs/dbraw/zinc/78/45/14/386784514.db2.gz DVNJQNJLXMSPRV-IJLUTSLNSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000417825615 386784528 /nfs/dbraw/zinc/78/45/28/386784528.db2.gz BHKCTTUGMMQCGH-DTWKUNHWSA-N 2 0 215.341 0.332 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417826272 386784816 /nfs/dbraw/zinc/78/48/16/386784816.db2.gz DFXMQSRLRFGYQR-WCFLWFBJSA-N 2 0 247.342 0.453 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417825890 386785754 /nfs/dbraw/zinc/78/57/54/386785754.db2.gz BTZHPZWZQYSYPE-GUBZILKMSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC000417837965 386796749 /nfs/dbraw/zinc/79/67/49/386796749.db2.gz MXYONBZWVJSVEI-WISYIIOYSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417805979 386788546 /nfs/dbraw/zinc/78/85/46/386788546.db2.gz IBSLZUCCPOJHFN-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000418000673 386817503 /nfs/dbraw/zinc/81/75/03/386817503.db2.gz JRPMIOZISLCSCU-VWYCJHECSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000417836992 386797824 /nfs/dbraw/zinc/79/78/24/386797824.db2.gz MDBITOVOIIZNDV-GMTAPVOTSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417843007 386799149 /nfs/dbraw/zinc/79/91/49/386799149.db2.gz QAEKPLHAKBDXGX-DCAQKATOSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417841730 386799155 /nfs/dbraw/zinc/79/91/55/386799155.db2.gz TWSBZSMJLRPJCZ-PSASIEDQSA-N 2 0 213.325 0.357 20 0 BCADRP CN(C(=O)C[C@H]1CCC[NH2+]1)[C@H](C[NH3+])C1CC1 ZINC000417845068 386799473 /nfs/dbraw/zinc/79/94/73/386799473.db2.gz RRPHBOAEZGKCNU-GHMZBOCLSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]CCCC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417843388 386800072 /nfs/dbraw/zinc/80/00/72/386800072.db2.gz VJMIYOWSGSXWPN-JTQLQIEISA-N 2 0 213.325 0.359 20 0 BCADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)C[NH3+] ZINC000417841855 386800777 /nfs/dbraw/zinc/80/07/77/386800777.db2.gz UIXDTHSCUOYRJX-NSHDSACASA-N 2 0 221.304 0.324 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000417851844 386801865 /nfs/dbraw/zinc/80/18/65/386801865.db2.gz YQVGCGFESLZFOR-NXEZZACHSA-N 2 0 227.352 0.476 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000638517275 386803595 /nfs/dbraw/zinc/80/35/95/386803595.db2.gz QEOAXAOPCPLWKI-SNVBAGLBSA-N 2 0 215.341 0.380 20 0 BCADRP C[C@H]1[C@@H](NC(=O)NC(C)(C)C[NH3+])CCC[N@@H+]1C ZINC000417995307 386803735 /nfs/dbraw/zinc/80/37/35/386803735.db2.gz DCIWVOPFYACCMP-UWVGGRQHSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000417848235 386804476 /nfs/dbraw/zinc/80/44/76/386804476.db2.gz KISUAXWXEKCTFT-GARJFASQSA-N 2 0 242.367 0.506 20 0 BCADRP C[NH2+]CCNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000417857007 386804483 /nfs/dbraw/zinc/80/44/83/386804483.db2.gz NOEKMZYIMGUQQZ-ZJUUUORDSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)[C@H](C)[NH3+] ZINC000417859253 386804569 /nfs/dbraw/zinc/80/45/69/386804569.db2.gz VXPASFQRDMKGIO-AEJSXWLSSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@@H](NC(=O)N[C@@H](C)C[NH3+])C(C)(C)C[NH+](C)C ZINC000417848277 386804709 /nfs/dbraw/zinc/80/47/09/386804709.db2.gz BFHKXWOYGGWPAK-VHSXEESVSA-N 2 0 244.383 0.609 20 0 BCADRP C[C@@H](NC(=O)NCCC[NH3+])C(C)(C)C[NH+](C)C ZINC000417859084 386805262 /nfs/dbraw/zinc/80/52/62/386805262.db2.gz QRTWODJCKTTXSX-SNVBAGLBSA-N 2 0 244.383 0.611 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417847666 386805813 /nfs/dbraw/zinc/80/58/13/386805813.db2.gz ZKUURDDEFVZLGI-WPRPVWTQSA-N 2 0 213.325 0.215 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000417849937 386808674 /nfs/dbraw/zinc/80/86/74/386808674.db2.gz WVQOYZMUBYLSIT-USZNOCQGSA-N 2 0 241.379 0.803 20 0 BCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC[NH3+])C1 ZINC000417869958 386808987 /nfs/dbraw/zinc/80/89/87/386808987.db2.gz GQBLROHEQSSCKP-LLVKDONJSA-N 2 0 242.367 0.222 20 0 BCADRP CC[N@H+](CCCn1ccnc1)[C@@H](C)CO ZINC000293436946 386815434 /nfs/dbraw/zinc/81/54/34/386815434.db2.gz OIFZDOZNKIJWBM-NSHDSACASA-N 2 0 211.309 0.976 20 0 BCADRP O=C(CC1CC[NH2+]CC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366555132 386830781 /nfs/dbraw/zinc/83/07/81/386830781.db2.gz LWTRRCGOTYCSRF-QWRGUYRKSA-N 2 0 243.326 0.192 20 0 BCADRP [NH3+][C@@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000366555273 386831820 /nfs/dbraw/zinc/83/18/20/386831820.db2.gz MCVGEEIXTWRXLL-KXNHARMFSA-N 2 0 231.299 0.020 20 0 BCADRP COC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000334786451 386847429 /nfs/dbraw/zinc/84/74/29/386847429.db2.gz SGUWMZBETCWQHE-UHFFFAOYSA-N 2 0 212.293 0.235 20 0 BCADRP Cc1nc[nH]c1CC(=O)NC[C@H](C)C[NH+](C)C ZINC000293636936 386852695 /nfs/dbraw/zinc/85/26/95/386852695.db2.gz DCLBTXGFDVCAKC-VIFPVBQESA-N 2 0 238.335 0.575 20 0 BCADRP CN(C(=O)[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000335748659 386873126 /nfs/dbraw/zinc/87/31/26/386873126.db2.gz JSLDDHPCFWHWFQ-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH+](C)C ZINC000341274503 386875375 /nfs/dbraw/zinc/87/53/75/386875375.db2.gz CBIMFARPHKICQX-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CC[NH2+]C2)CCC1 ZINC000331596490 386875336 /nfs/dbraw/zinc/87/53/36/386875336.db2.gz NKRJBRDJNKLPMO-SNVBAGLBSA-N 2 0 240.351 0.132 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000418010090 386882727 /nfs/dbraw/zinc/88/27/27/386882727.db2.gz VKDUBHXCHAPSGW-GMTAPVOTSA-N 2 0 242.367 0.376 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000335756229 386884263 /nfs/dbraw/zinc/88/42/63/386884263.db2.gz YBTCSYJZWGYHRV-ZJUUUORDSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)[C@@H]2CCOC2)CC[N@@H+]1C ZINC000358049300 386886523 /nfs/dbraw/zinc/88/65/23/386886523.db2.gz QSRITLQOLPTHGK-FDYHWXHSSA-N 2 0 242.363 0.456 20 0 BCADRP FC1(F)CC[NH2+]C[C@@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000334844035 386890762 /nfs/dbraw/zinc/89/07/62/386890762.db2.gz BURSQSGVYIIHMJ-ZJUUUORDSA-N 2 0 233.306 0.573 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000331844705 386916182 /nfs/dbraw/zinc/91/61/82/386916182.db2.gz LEHAPTHFMYYZRH-WDEREUQCSA-N 2 0 240.351 0.247 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000331855461 386916692 /nfs/dbraw/zinc/91/66/92/386916692.db2.gz MVLCDZYDGWOOPF-INTQDDNPSA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@H](C(=O)N1CCN(C)C[C@H]1C)[NH+](C)C ZINC000335760902 386898380 /nfs/dbraw/zinc/89/83/80/386898380.db2.gz SWGOYPXHQUUMSQ-GHMZBOCLSA-N 2 0 227.352 0.489 20 0 BCADRP FC1(F)CC[NH2+]C[C@H]1NCC1CC[NH2+]CC1 ZINC000334849168 386898598 /nfs/dbraw/zinc/89/85/98/386898598.db2.gz VOSKHENXSVDKIV-SNVBAGLBSA-N 2 0 233.306 0.573 20 0 BCADRP CC[C@@H](C(=O)N1CCN(C)C[C@H]1C)[NH+](C)C ZINC000335760903 386898677 /nfs/dbraw/zinc/89/86/77/386898677.db2.gz SWGOYPXHQUUMSQ-MNOVXSKESA-N 2 0 227.352 0.489 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000336739778 386899299 /nfs/dbraw/zinc/89/92/99/386899299.db2.gz LSAKFAQYUPCAPF-HLTSFMKQSA-N 2 0 231.365 0.015 20 0 BCADRP FC[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000334851515 386900915 /nfs/dbraw/zinc/90/09/15/386900915.db2.gz DCEIMOAHLXXWMF-NSHDSACASA-N 2 0 216.300 0.656 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000418012780 386905835 /nfs/dbraw/zinc/90/58/35/386905835.db2.gz YKNSVOBQXYXWLB-UTLUCORTSA-N 2 0 228.340 0.116 20 0 BCADRP c1ccc2c(c1)CC[NH2+][C@@H]2CN[C@H]1CC[NH2+]C1 ZINC000334818491 386947156 /nfs/dbraw/zinc/94/71/56/386947156.db2.gz JOTZQHALVRXGOP-GXTWGEPZSA-N 2 0 231.343 0.825 20 0 BCADRP C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)CCC[N@@H+]1C ZINC000418013788 386921541 /nfs/dbraw/zinc/92/15/41/386921541.db2.gz ZQPVRIPNUXOEKC-GMTAPVOTSA-N 2 0 240.351 0.130 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC[NH2+]CC1 ZINC000331905870 386924222 /nfs/dbraw/zinc/92/42/22/386924222.db2.gz RZEWAVGKCPWZSL-NSHDSACASA-N 2 0 242.367 0.365 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]([NH3+])C1CCC1 ZINC000331946097 386929191 /nfs/dbraw/zinc/92/91/91/386929191.db2.gz IBBKIMCHLSUESY-GARJFASQSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@@]1(CN[C@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000334873126 386933051 /nfs/dbraw/zinc/93/30/51/386933051.db2.gz HENIRLDLVKULQV-NWDGAFQWSA-N 2 0 211.353 0.718 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000335833854 386934436 /nfs/dbraw/zinc/93/44/36/386934436.db2.gz WZFHLIPZGIILTB-NWDGAFQWSA-N 2 0 239.363 0.491 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000334877924 386938823 /nfs/dbraw/zinc/93/88/23/386938823.db2.gz DQVLKDMXRQEOHT-NWDGAFQWSA-N 2 0 241.379 0.878 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000334877925 386939360 /nfs/dbraw/zinc/93/93/60/386939360.db2.gz DQVLKDMXRQEOHT-RYUDHWBXSA-N 2 0 241.379 0.878 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368088481 386939892 /nfs/dbraw/zinc/93/98/92/386939892.db2.gz FOWMZAXFYJHQGG-NWDGAFQWSA-N 2 0 237.347 0.054 20 0 BCADRP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000368112500 386941178 /nfs/dbraw/zinc/94/11/78/386941178.db2.gz DPTYJSMTZFGKLZ-NWDGAFQWSA-N 2 0 237.347 0.054 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368104197 386942135 /nfs/dbraw/zinc/94/21/35/386942135.db2.gz CKZWEUFBNMBPNI-VXGBXAGGSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368122558 386944603 /nfs/dbraw/zinc/94/46/03/386944603.db2.gz BBYPQTXZKBCWRG-ZMLRMANQSA-N 2 0 239.363 0.476 20 0 BCADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000334817917 386946005 /nfs/dbraw/zinc/94/60/05/386946005.db2.gz ADYRUYNGEQSTPX-DGCLKSJQSA-N 3 0 225.380 0.903 20 0 BCADRP C[C@@H](CCNC(=O)NCC[NH3+])[NH+]1CCCCC1 ZINC000418017952 386953173 /nfs/dbraw/zinc/95/31/73/386953173.db2.gz HZVZBBYHBQZAMX-NSHDSACASA-N 2 0 242.367 0.509 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000332144972 386963189 /nfs/dbraw/zinc/96/31/89/386963189.db2.gz NDSMMBPICUFSBR-ZMLRMANQSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000332163860 386964420 /nfs/dbraw/zinc/96/44/20/386964420.db2.gz RPBOLKMHRFIDTL-VWYCJHECSA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+]CC1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000334899886 386972641 /nfs/dbraw/zinc/97/26/41/386972641.db2.gz AYSAAESMRBFENA-NSHDSACASA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000368453515 386974830 /nfs/dbraw/zinc/97/48/30/386974830.db2.gz KPUSQIHRWAEXBN-ONGXEEELSA-N 2 0 231.315 0.144 20 0 BCADRP COCC[N@H+](C)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395198313 386982838 /nfs/dbraw/zinc/98/28/38/386982838.db2.gz UFKRWCVDNSLWKG-STQMWFEESA-N 2 0 243.395 0.685 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)CC[NH2+]C1 ZINC000368562419 386984417 /nfs/dbraw/zinc/98/44/17/386984417.db2.gz PSGUZJNSGLGXIF-FOGDFJRCSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)(O)CCN1CCCC[C@H]1C(=[NH2+])NO ZINC000368526075 386985024 /nfs/dbraw/zinc/98/50/24/386985024.db2.gz RFSQTFBAKKTZQZ-VIFPVBQESA-N 2 0 229.324 0.958 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000334920886 386997564 /nfs/dbraw/zinc/99/75/64/386997564.db2.gz BOFFHYPHPRCRNU-MNOVXSKESA-N 2 0 240.351 0.084 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000368704030 387005639 /nfs/dbraw/zinc/00/56/39/387005639.db2.gz MTUYSEYHJLCXFH-NSHDSACASA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000648106319 387031550 /nfs/dbraw/zinc/03/15/50/387031550.db2.gz YTVZHOYIPHHECE-RKDXNWHRSA-N 2 0 247.289 0.085 20 0 BCADRP [NH3+][C@@H](C(=O)NCC[NH+]1CCCC1)C1CCC1 ZINC000398980469 387033240 /nfs/dbraw/zinc/03/32/40/387033240.db2.gz DWAGEZMSICDEOH-LLVKDONJSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000334955433 387033665 /nfs/dbraw/zinc/03/36/65/387033665.db2.gz HKKKUMSLGKGDEF-QWRGUYRKSA-N 2 0 242.367 0.317 20 0 BCADRP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000333463042 387037441 /nfs/dbraw/zinc/03/74/41/387037441.db2.gz GXDDRVLYHLVQBV-FDYHWXHSSA-N 2 0 241.379 0.613 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000334960170 387038736 /nfs/dbraw/zinc/03/87/36/387038736.db2.gz GEHRTVHLZZGNRY-AAEUAGOBSA-N 2 0 247.342 0.897 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000334960172 387039999 /nfs/dbraw/zinc/03/99/99/387039999.db2.gz GEHRTVHLZZGNRY-DGCLKSJQSA-N 2 0 247.342 0.897 20 0 BCADRP CN(CC[NH3+])C(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000334962839 387043128 /nfs/dbraw/zinc/04/31/28/387043128.db2.gz WCSOJTJJURAZIF-CMPLNLGQSA-N 2 0 225.336 0.183 20 0 BCADRP [NH3+]CC[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000070074147 387044198 /nfs/dbraw/zinc/04/41/98/387044198.db2.gz OBBDDPNLCFBSST-CYBMUJFWSA-N 2 0 241.379 0.379 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000334964680 387045039 /nfs/dbraw/zinc/04/50/39/387045039.db2.gz AHSPFDNLNHNWJR-QWRGUYRKSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648107551 387046205 /nfs/dbraw/zinc/04/62/05/387046205.db2.gz GUDNLQWZXTUCGZ-HTQZYQBOSA-N 2 0 235.278 0.085 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000161995861 387046833 /nfs/dbraw/zinc/04/68/33/387046833.db2.gz IGIHOGLBEDLOEK-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000648107412 387047512 /nfs/dbraw/zinc/04/75/12/387047512.db2.gz NCVYVHLORPMTMS-SNVBAGLBSA-N 2 0 247.342 0.336 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000161995752 387049515 /nfs/dbraw/zinc/04/95/15/387049515.db2.gz IGIHOGLBEDLOEK-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000648107801 387050031 /nfs/dbraw/zinc/05/00/31/387050031.db2.gz PSEYPGBKYJDIRI-ZJUUUORDSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC[N@@H+]1C ZINC000648108009 387051672 /nfs/dbraw/zinc/05/16/72/387051672.db2.gz LGPUMLHALRWNFM-WRWGMCAJSA-N 2 0 239.363 0.535 20 0 BCADRP COCC[C@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313388940 387052369 /nfs/dbraw/zinc/05/23/69/387052369.db2.gz LWLHCIULHGENBD-QWRGUYRKSA-N 2 0 216.325 0.461 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000333810372 387057607 /nfs/dbraw/zinc/05/76/07/387057607.db2.gz JDQJEGYGZHZDOA-AXFHLTTASA-N 2 0 240.351 0.130 20 0 BCADRP CC1(C(=O)N[C@@H](C[NH3+])C2CCCC2)C[NH2+]C1 ZINC000333844890 387057621 /nfs/dbraw/zinc/05/76/21/387057621.db2.gz OZHPZVSSWGTOLS-JTQLQIEISA-N 2 0 225.336 0.230 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H](C[NH3+])C(C)C)C1CC1 ZINC000228005538 387060084 /nfs/dbraw/zinc/06/00/84/387060084.db2.gz ZBRUFVQGOSWMBF-LBPRGKRZSA-N 2 0 241.379 0.818 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@@]2(O)CCO[C@H]2C)CC1 ZINC000228052529 387063341 /nfs/dbraw/zinc/06/33/41/387063341.db2.gz ZAOKGURGLBBIAZ-AAEUAGOBSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@@H]1OCC[C@@]1(O)C[NH2+]C1CCN(C)CC1 ZINC000228058562 387063351 /nfs/dbraw/zinc/06/33/51/387063351.db2.gz HKHRDHDGUACDAV-CMPLNLGQSA-N 2 0 228.336 0.210 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC000228052511 387063770 /nfs/dbraw/zinc/06/37/70/387063770.db2.gz ZAOKGURGLBBIAZ-YPMHNXCESA-N 2 0 242.363 0.600 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C[C@H]21 ZINC000648109045 387065159 /nfs/dbraw/zinc/06/51/59/387065159.db2.gz OQBLFSSATZFPBS-TXWLSFLZSA-N 2 0 249.358 0.323 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000334934370 387011000 /nfs/dbraw/zinc/01/10/00/387011000.db2.gz APCOAERMMSLTSL-MNOVXSKESA-N 2 0 240.351 0.084 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000368806467 387011279 /nfs/dbraw/zinc/01/12/79/387011279.db2.gz NZPVEXIRFFKWPM-PWSUYJOCSA-N 2 0 225.336 0.054 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)C ZINC000358784214 387013303 /nfs/dbraw/zinc/01/33/03/387013303.db2.gz CUTJDWSGOZGOFO-UHFFFAOYSA-N 2 0 215.341 0.395 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000334940306 387017391 /nfs/dbraw/zinc/01/73/91/387017391.db2.gz WTPYNROUIZFUNY-QWRGUYRKSA-N 2 0 240.351 0.132 20 0 BCADRP [NH3+]CCCCC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000648103417 387019330 /nfs/dbraw/zinc/01/93/30/387019330.db2.gz SYZXYNMOJKFAIA-LLVKDONJSA-N 2 0 225.336 0.468 20 0 BCADRP CC(C)([NH3+])CCC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000648103347 387019445 /nfs/dbraw/zinc/01/94/45/387019445.db2.gz UZFCAQCGXSSAEZ-LLVKDONJSA-N 2 0 239.363 0.857 20 0 BCADRP O=C(C[C@@H]1CC[NH2+]C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000648103410 387019692 /nfs/dbraw/zinc/01/96/92/387019692.db2.gz PZWUNGWUBXEPOQ-JQWIXIFHSA-N 2 0 237.347 0.339 20 0 BCADRP CC[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(C)C ZINC000053298594 387021576 /nfs/dbraw/zinc/02/15/76/387021576.db2.gz YCEHGYOXTVCGMD-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000519165898 387025017 /nfs/dbraw/zinc/02/50/17/387025017.db2.gz IAOJOXKQWMIUQB-CYDGBPFRSA-N 3 0 241.379 0.016 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000333282462 387025603 /nfs/dbraw/zinc/02/56/03/387025603.db2.gz MRVIPYMXZGTSPO-QJPTWQEYSA-N 2 0 211.353 0.846 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000333296315 387026929 /nfs/dbraw/zinc/02/69/29/387026929.db2.gz PKSSICGZWHCOKN-HOSYDEDBSA-N 2 0 237.347 0.467 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000398949786 387027731 /nfs/dbraw/zinc/02/77/31/387027731.db2.gz BHHWLVGBIVJJMF-MNOVXSKESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@]([NH3+])(C(=O)NCC1C[NH2+]C1)c1ccccc1 ZINC000648105959 387029295 /nfs/dbraw/zinc/02/92/95/387029295.db2.gz RFZOREGTPNNWPC-ZDUSSCGKSA-N 2 0 233.315 0.196 20 0 BCADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)NCC[NH3+] ZINC000418050782 387068959 /nfs/dbraw/zinc/06/89/59/387068959.db2.gz XCTFZBGFYBDVCN-LLVKDONJSA-N 2 0 242.367 0.509 20 0 BCADRP CC[C@@H](C(=O)NCCC[NH+](C)C)[NH+](C)C ZINC000359252734 387074398 /nfs/dbraw/zinc/07/43/98/387074398.db2.gz QULTVJCYTMHKBU-JTQLQIEISA-N 2 0 215.341 0.395 20 0 BCADRP O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)NCC1CCC1 ZINC000359272894 387077658 /nfs/dbraw/zinc/07/76/58/387077658.db2.gz IYVQPRZFBYPKSX-TXEJJXNPSA-N 2 0 237.347 0.054 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000127131432 387078536 /nfs/dbraw/zinc/07/85/36/387078536.db2.gz HKOHWBUYNKXXKS-RYUDHWBXSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)NCC1([NH+](C)C)CCC1 ZINC000418057365 387078586 /nfs/dbraw/zinc/07/85/86/387078586.db2.gz IYRRKMJBYFCTEY-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000418068791 387082366 /nfs/dbraw/zinc/08/23/66/387082366.db2.gz ZMHPWSLHMYIFCK-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000370158364 387094747 /nfs/dbraw/zinc/09/47/47/387094747.db2.gz FMCHKZOETMXOMY-VWYCJHECSA-N 2 0 225.336 0.180 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000370304256 387107337 /nfs/dbraw/zinc/10/73/37/387107337.db2.gz XKWDHAUCPGLCGX-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@]1(CNC(=O)N2CC[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000334946062 387108954 /nfs/dbraw/zinc/10/89/54/387108954.db2.gz OPEPSOBORMBHHW-CMPLNLGQSA-N 2 0 240.351 0.119 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC000160685476 387112101 /nfs/dbraw/zinc/11/21/01/387112101.db2.gz PFQSKAOCHLLXNK-VXGBXAGGSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCNC(=O)C1CC1 ZINC000160685344 387112249 /nfs/dbraw/zinc/11/22/49/387112249.db2.gz PFQSKAOCHLLXNK-NEPJUHHUSA-N 2 0 239.363 0.620 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000334950419 387114580 /nfs/dbraw/zinc/11/45/80/387114580.db2.gz KZUNOIBTWXULMB-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000418361673 387126382 /nfs/dbraw/zinc/12/63/82/387126382.db2.gz ARTCPWIUJQVNGB-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)O)[C@H](C)C1 ZINC000119456212 387132362 /nfs/dbraw/zinc/13/23/62/387132362.db2.gz QCIBDOVOWLACPH-GMTAPVOTSA-N 2 0 200.326 0.687 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000353155399 387144666 /nfs/dbraw/zinc/14/46/66/387144666.db2.gz AYEGHHSHWJANNC-TUAOUCFPSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(C[NH3+])o1 ZINC000186840263 387148722 /nfs/dbraw/zinc/14/87/22/387148722.db2.gz CCDDBIFAWOIUGJ-PSASIEDQSA-N 2 0 237.303 0.466 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000353180740 387149634 /nfs/dbraw/zinc/14/96/34/387149634.db2.gz DNPFUGURMAVYSR-UTUOFQBUSA-N 2 0 239.363 0.441 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000186898852 387149774 /nfs/dbraw/zinc/14/97/74/387149774.db2.gz DXYGYRNNJZBCSF-GMTAPVOTSA-N 2 0 225.336 0.100 20 0 BCADRP CCC[NH2+]CCN[C@H]1C[N@H+](CC)C[C@@H]1C ZINC000423313496 387151069 /nfs/dbraw/zinc/15/10/69/387151069.db2.gz ULYKANSQSRJLDP-RYUDHWBXSA-N 2 0 213.369 0.916 20 0 BCADRP CCC[NH2+]CCN[C@H]1C[N@H+](CC)C[C@H]1C ZINC000423313494 387151163 /nfs/dbraw/zinc/15/11/63/387151163.db2.gz ULYKANSQSRJLDP-NEPJUHHUSA-N 2 0 213.369 0.916 20 0 BCADRP CCC[NH2+]CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000423312653 387151501 /nfs/dbraw/zinc/15/15/01/387151501.db2.gz SITSTACOWOVAAB-RYUDHWBXSA-N 2 0 213.369 0.964 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000300130642 387155811 /nfs/dbraw/zinc/15/58/11/387155811.db2.gz AXRKWBIPGXAMKT-IJLUTSLNSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH+](C)CCCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000085612662 387158004 /nfs/dbraw/zinc/15/80/04/387158004.db2.gz OWEYPKWDPICNQG-SNVBAGLBSA-N 2 0 245.392 0.149 20 0 BCADRP CC[N@H+]1C[C@H](NC[C@@H]([NH3+])C2CC2)[C@@H](C)C1 ZINC000423327480 387169831 /nfs/dbraw/zinc/16/98/31/387169831.db2.gz RQMYRDWBKZLCRY-WCQGTBRESA-N 2 0 211.353 0.654 20 0 BCADRP [NH3+]CCCCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571801777 387174139 /nfs/dbraw/zinc/17/41/39/387174139.db2.gz BYGLZXKFRWAGNZ-CYBMUJFWSA-N 2 0 239.363 0.718 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371232242 387176333 /nfs/dbraw/zinc/17/63/33/387176333.db2.gz RJCCOINWTYFPAV-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@]1(CC)CC[NH2+]C1 ZINC000062904266 387180210 /nfs/dbraw/zinc/18/02/10/387180210.db2.gz KDXYLTGZXGGHFV-LBPRGKRZSA-N 2 0 227.352 0.444 20 0 BCADRP C[C@@]1(C(=O)NCC2=CC[NH2+]CC2)CCC[NH2+]C1 ZINC000336351128 387181467 /nfs/dbraw/zinc/18/14/67/387181467.db2.gz VZAQQDORBGWIQF-CYBMUJFWSA-N 2 0 237.347 0.412 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000336354048 387183962 /nfs/dbraw/zinc/18/39/62/387183962.db2.gz TWUMMJSFUQPITH-SECBINFHSA-N 2 0 233.315 0.709 20 0 BCADRP COC[C@H](CCO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229622507 387186488 /nfs/dbraw/zinc/18/64/88/387186488.db2.gz KJZWSUIFIAPKKQ-RWMBFGLXSA-N 2 0 242.363 0.600 20 0 BCADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCO ZINC000371295806 387186882 /nfs/dbraw/zinc/18/68/82/387186882.db2.gz VEHGALUOJVWTFZ-JHJVBQTASA-N 2 0 242.363 0.552 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062972442 387189953 /nfs/dbraw/zinc/18/99/53/387189953.db2.gz YYUFRSWATSGNFV-GHMZBOCLSA-N 2 0 227.352 0.666 20 0 BCADRP COC(=O)[C@@H](C1CC1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000359600541 387132688 /nfs/dbraw/zinc/13/26/88/387132688.db2.gz REGKEFLRHCYNAI-CMPLNLGQSA-N 2 0 240.347 0.822 20 0 BCADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCC[NH3+] ZINC000418101076 387132932 /nfs/dbraw/zinc/13/29/32/387132932.db2.gz QXSFHFMQQXEJGA-SNVBAGLBSA-N 2 0 242.367 0.365 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](C)O)[C@H](C)C1 ZINC000119445450 387133742 /nfs/dbraw/zinc/13/37/42/387133742.db2.gz QCIBDOVOWLACPH-OUAUKWLOSA-N 2 0 200.326 0.687 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000367350300 387135846 /nfs/dbraw/zinc/13/58/46/387135846.db2.gz UHQBQDLXSZIFPS-WDEREUQCSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@H](C[NH3+])CN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423305003 387138900 /nfs/dbraw/zinc/13/89/00/387138900.db2.gz ZXECVMNEDAPHCW-GMTAPVOTSA-N 2 0 211.353 0.796 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000248488853 387138941 /nfs/dbraw/zinc/13/89/41/387138941.db2.gz MPNKOCCDGXTYSA-FIQHERPVSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@H](NCC[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000423352261 387203313 /nfs/dbraw/zinc/20/33/13/387203313.db2.gz AENIPDFTCZXPMM-QJPTWQEYSA-N 2 0 211.353 0.859 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000353448413 387205252 /nfs/dbraw/zinc/20/52/52/387205252.db2.gz MHBYESCLKQLQSB-GMTAPVOTSA-N 2 0 227.352 0.345 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)C[NH3+] ZINC000418188079 387206206 /nfs/dbraw/zinc/20/62/06/387206206.db2.gz SJNGFHRZTJNZIT-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP C[N@H+](CCNC(=O)CC1(C[NH3+])CC1)C1CC1 ZINC000423355988 387207116 /nfs/dbraw/zinc/20/71/16/387207116.db2.gz GEVRAAUKUBIVQW-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000353459228 387207598 /nfs/dbraw/zinc/20/75/98/387207598.db2.gz LLSRTEQVKNXECR-OUAUKWLOSA-N 2 0 227.352 0.332 20 0 BCADRP CC[C@@H](Cn1cncn1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423357477 387208491 /nfs/dbraw/zinc/20/84/91/387208491.db2.gz ICOATZZRDABEFJ-NWDGAFQWSA-N 2 0 237.351 0.788 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000423364995 387215148 /nfs/dbraw/zinc/21/51/48/387215148.db2.gz ZOMXWGOXZVNWKF-WZRBSPASSA-N 2 0 237.347 0.339 20 0 BCADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)CC[NH3+] ZINC000418202981 387217061 /nfs/dbraw/zinc/21/70/61/387217061.db2.gz UUYANDMEANYWDX-LLVKDONJSA-N 2 0 244.383 0.707 20 0 BCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC[C@H](C)[NH3+] ZINC000418204416 387217512 /nfs/dbraw/zinc/21/75/12/387217512.db2.gz XQQFXTKQXGEPHS-QWRGUYRKSA-N 2 0 244.383 0.752 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCC2([NH3+])CCC2)C1 ZINC000336390812 387219883 /nfs/dbraw/zinc/21/98/83/387219883.db2.gz FKSCRWKENJZAMA-NXEZZACHSA-N 2 0 225.336 0.502 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000352460721 387226927 /nfs/dbraw/zinc/22/69/27/387226927.db2.gz GOJSDUUSHXZRBS-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]([NH3+])C(C)C)C(C)C ZINC000353581742 387233710 /nfs/dbraw/zinc/23/37/10/387233710.db2.gz NPRCCJKQXXMPLC-LLVKDONJSA-N 2 0 229.368 0.816 20 0 BCADRP CC[NH2+][C@H](C)CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423399508 387234882 /nfs/dbraw/zinc/23/48/82/387234882.db2.gz WHJOXRMGOQRFGA-RTXFEEFZSA-N 2 0 241.379 0.341 20 0 BCADRP CC[N@H+](CCNC(=O)CC1(C[NH3+])CC1)C1CC1 ZINC000423399130 387235053 /nfs/dbraw/zinc/23/50/53/387235053.db2.gz PKKGOISBCVLPLV-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP CC[N@H+](CCNC(=O)C1(C)C[NH2+]C1)C(C)C ZINC000423408441 387243072 /nfs/dbraw/zinc/24/30/72/387243072.db2.gz XMQHNANETPEXIY-UHFFFAOYSA-N 2 0 227.352 0.442 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]([NH3+])C1CCC1)C(C)C ZINC000423406814 387244441 /nfs/dbraw/zinc/24/44/41/387244441.db2.gz VCHUCMZVRGHTEI-LBPRGKRZSA-N 2 0 241.379 0.960 20 0 BCADRP C[N@@H+]1CC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]2CCC[C@H]21 ZINC000423420055 387248414 /nfs/dbraw/zinc/24/84/14/387248414.db2.gz AQZUNBCJMHXBHN-WCQYUDONSA-N 2 0 235.375 0.667 20 0 BCADRP CO[C@H](C[NH3+])C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000353423828 387198589 /nfs/dbraw/zinc/19/85/89/387198589.db2.gz DQQFZMQWZUBZRP-NXEZZACHSA-N 2 0 245.367 0.053 20 0 BCADRP C[C@@H](CCCC[NH3+])NCC(F)(F)CN ZINC000423349831 387199399 /nfs/dbraw/zinc/19/93/99/387199399.db2.gz XSQFVVWXUKQGKQ-QMMMGPOBSA-N 2 0 209.284 0.688 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C[NH+]1CCC(C)CC1 ZINC000423462036 387310415 /nfs/dbraw/zinc/31/04/15/387310415.db2.gz UAKGFVPXSMXONO-LLVKDONJSA-N 2 0 227.352 0.429 20 0 BCADRP CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC[NH+](C)CC1 ZINC000648110296 387254801 /nfs/dbraw/zinc/25/48/01/387254801.db2.gz PARGJNWEBBNYSV-GDNZZTSVSA-N 2 0 237.347 0.004 20 0 BCADRP [NH3+]CCN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000648110264 387258072 /nfs/dbraw/zinc/25/80/72/387258072.db2.gz IHCLKALEFCUPFJ-BETUJISGSA-N 2 0 247.342 0.711 20 0 BCADRP Cc1cnn(C)c1C[NH2+]CCn1ccnc1 ZINC000285414774 387266164 /nfs/dbraw/zinc/26/61/64/387266164.db2.gz JHNHTVVITSVYFM-UHFFFAOYSA-N 2 0 219.292 0.715 20 0 BCADRP C[C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)[N@H+](C)C1CC1 ZINC000423385499 387268749 /nfs/dbraw/zinc/26/87/49/387268749.db2.gz QVAWMYLEFDQWGM-BREBYQMCSA-N 2 0 237.347 0.337 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000645684831 387269656 /nfs/dbraw/zinc/26/96/56/387269656.db2.gz HXSZYMGTOBRFEL-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000645684892 387269758 /nfs/dbraw/zinc/26/97/58/387269758.db2.gz LXDGDUHNVNKYNB-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP O=C1NCC[C@@H]1[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000372105925 387273704 /nfs/dbraw/zinc/27/37/04/387273704.db2.gz SOOHBGSOADGGQE-LOWDOPEQSA-N 2 0 249.358 0.291 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000372120824 387274332 /nfs/dbraw/zinc/27/43/32/387274332.db2.gz FZEPYGMGLSBVQH-WDEREUQCSA-N 2 0 231.315 0.178 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000372121695 387274633 /nfs/dbraw/zinc/27/46/33/387274633.db2.gz OYMMPONIAXBYOT-GFCCVEGCSA-N 2 0 245.342 0.536 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423391279 387276397 /nfs/dbraw/zinc/27/63/97/387276397.db2.gz KQQFMJGFNQOTDP-WHOHXGKFSA-N 2 0 211.353 0.572 20 0 BCADRP CC[NH2+]CCCN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000643498947 387277312 /nfs/dbraw/zinc/27/73/12/387277312.db2.gz ZSCLVFMNUXPRJV-NEPJUHHUSA-N 2 0 213.369 0.916 20 0 BCADRP CC[NH2+][C@H](C)CN[C@H]1C[N@H+](CC)C[C@@H]1C ZINC000423393109 387279315 /nfs/dbraw/zinc/27/93/15/387279315.db2.gz YKHMKAONZRRYIN-TUAOUCFPSA-N 2 0 213.369 0.914 20 0 BCADRP CC/C=C\CNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000572227735 387281917 /nfs/dbraw/zinc/28/19/17/387281917.db2.gz VTPUVXPBJLNRRF-DOGVGXBMSA-N 2 0 240.351 0.237 20 0 BCADRP CC[NH2+]CCC[NH2+][C@@H](C)Cn1cccn1 ZINC000643499074 387283533 /nfs/dbraw/zinc/28/35/33/387283533.db2.gz QOQOUEKBZHLVPO-NSHDSACASA-N 2 0 210.325 0.861 20 0 BCADRP CC[NH2+]CCC[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000643499229 387285611 /nfs/dbraw/zinc/28/56/11/387285611.db2.gz LOHAVVMUYDEGQL-NWDGAFQWSA-N 2 0 229.368 0.343 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@H](C)C[NH3+] ZINC000514938039 387318033 /nfs/dbraw/zinc/31/80/33/387318033.db2.gz VHJMFCSNVGJTRJ-MWLCHTKSSA-N 2 0 221.304 0.458 20 0 BCADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000423438555 387288583 /nfs/dbraw/zinc/28/85/83/387288583.db2.gz VAUPXQNCFWQKOJ-QNWHQSFQSA-N 2 0 242.363 0.362 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)C(C)(C)[NH3+])C1 ZINC000514792230 387292396 /nfs/dbraw/zinc/29/23/96/387292396.db2.gz IZCQRABCOWETDS-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CC1(C)[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]2CCCO[C@@H]21 ZINC000423442722 387292746 /nfs/dbraw/zinc/29/27/46/387292746.db2.gz VHBBRRSNZFPSGO-WTHWOGDNSA-N 2 0 236.359 0.997 20 0 BCADRP CN(C(=O)CC1(C[NH3+])CC1)C1CC[NH2+]CC1 ZINC000514857246 387296387 /nfs/dbraw/zinc/29/63/87/387296387.db2.gz HBADBZPJDJNWIB-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP CN(C(=O)[C@H]1[NH2+]CC1(C)C)C1CC[NH+](C)CC1 ZINC000648110346 387300343 /nfs/dbraw/zinc/30/03/43/387300343.db2.gz ULPAMNNQXFAULD-LLVKDONJSA-N 2 0 239.363 0.537 20 0 BCADRP CO[C@@H]1CCC[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000643499617 387300374 /nfs/dbraw/zinc/30/03/74/387300374.db2.gz PFVYHDFSDGHYPY-QWHCGFSZSA-N 2 0 241.379 0.439 20 0 BCADRP COCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423453099 387301496 /nfs/dbraw/zinc/30/14/96/387301496.db2.gz IVHIEWAJPITYDJ-BNDIWNMDSA-N 2 0 224.348 0.999 20 0 BCADRP CCC[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC000423455200 387301899 /nfs/dbraw/zinc/30/18/99/387301899.db2.gz DWMNDMZGLLUIJQ-UHFFFAOYSA-N 2 0 239.363 0.731 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C12CCC[NH+]1CCC2 ZINC000423455639 387303303 /nfs/dbraw/zinc/30/33/03/387303303.db2.gz MSLFVDCDTFOTRA-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000121186889 387307233 /nfs/dbraw/zinc/30/72/33/387307233.db2.gz JDDLDFKYRSGJOJ-LBPRGKRZSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CCC[NH2+]C1)[C@@H](C)[NH3+] ZINC000423460939 387308976 /nfs/dbraw/zinc/30/89/76/387308976.db2.gz BVEPDLDKKSXMDC-OUAUKWLOSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH3+])CC2)CC[N@@H+]1C ZINC000648121471 387309120 /nfs/dbraw/zinc/30/91/20/387309120.db2.gz OQCXCBQHLMRJKQ-GHMZBOCLSA-N 2 0 239.363 0.666 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H]2C[NH2+]CCCO2)C1 ZINC000423530287 387358910 /nfs/dbraw/zinc/35/89/10/387358910.db2.gz YTHMCPWGTZDFCU-YNEHKIRRSA-N 2 0 241.379 0.295 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@H]1C[NH2+]CCO1 ZINC000423530853 387359066 /nfs/dbraw/zinc/35/90/66/387359066.db2.gz XJICVMBAUYHZIN-RAIGVLPGSA-N 2 0 239.363 0.047 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000515311276 387359449 /nfs/dbraw/zinc/35/94/49/387359449.db2.gz FOWHEZLIKXBIJG-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP c1ccc([C@@H]2C[NH2+]C[C@H]2N[C@H]2CC[NH2+]C2)cc1 ZINC000423536237 387360712 /nfs/dbraw/zinc/36/07/12/387360712.db2.gz ZBXRWQQWHGJVPO-MELADBBJSA-N 2 0 231.343 0.694 20 0 BCADRP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@@H]1CCCC[NH2+]1 ZINC000643502231 387362944 /nfs/dbraw/zinc/36/29/44/387362944.db2.gz AQBZTJKMRCHJHK-AGIUHOORSA-N 2 0 241.379 0.485 20 0 BCADRP C[C@@H](NC[C@@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000643502937 387366554 /nfs/dbraw/zinc/36/65/54/387366554.db2.gz VSRFKKGQDIFQNT-GRYCIOLGSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H](NC[C@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000643502943 387366861 /nfs/dbraw/zinc/36/68/61/387366861.db2.gz VSRFKKGQDIFQNT-UTUOFQBUSA-N 2 0 211.353 0.859 20 0 BCADRP CC[C@@H](NC[C@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]1 ZINC000423543981 387368329 /nfs/dbraw/zinc/36/83/29/387368329.db2.gz CASCHKNQZHBCDB-UTUOFQBUSA-N 2 0 227.352 0.095 20 0 BCADRP CCC[C@H](C(=O)NCC1=CC[NH2+]CC1)[NH+](C)C ZINC000423544311 387368874 /nfs/dbraw/zinc/36/88/74/387368874.db2.gz IOGQEXLKSPVECA-GFCCVEGCSA-N 2 0 239.363 0.753 20 0 BCADRP CCC[C@H](C(=O)NC[C@@H](C)[NH2+]CC)[NH+](C)C ZINC000423603763 387384658 /nfs/dbraw/zinc/38/46/58/387384658.db2.gz HQGGTCIFJQFLIC-GHMZBOCLSA-N 2 0 229.368 0.831 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000515384688 387373794 /nfs/dbraw/zinc/37/37/94/387373794.db2.gz UFKSMQILXPLYPP-RKDXNWHRSA-N 2 0 215.341 0.603 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000515384368 387374152 /nfs/dbraw/zinc/37/41/52/387374152.db2.gz PMCHTTXSHHBSMD-AXFHLTTASA-N 2 0 225.336 0.454 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000648123237 387377502 /nfs/dbraw/zinc/37/75/02/387377502.db2.gz PHOMTZUGCMITPZ-BXKDBHETSA-N 2 0 246.314 0.318 20 0 BCADRP C[C@@H](NC(=O)CC[NH2+]C1CC1)[C@H]1CCC[NH2+]C1 ZINC000515433697 387378883 /nfs/dbraw/zinc/37/88/83/387378883.db2.gz YIQNAJMKECQSKB-MNOVXSKESA-N 2 0 239.363 0.633 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000648123238 387379041 /nfs/dbraw/zinc/37/90/41/387379041.db2.gz PHOMTZUGCMITPZ-CABZTGNLSA-N 2 0 246.314 0.318 20 0 BCADRP C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[NH2+]1 ZINC000423473883 387319591 /nfs/dbraw/zinc/31/95/91/387319591.db2.gz GYIYMBHUGIFJHO-BBBLOLIVSA-N 2 0 233.306 0.714 20 0 BCADRP CCC[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC000423474888 387321376 /nfs/dbraw/zinc/32/13/76/387321376.db2.gz ZHGMITZRKRPLGP-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000372775967 387325491 /nfs/dbraw/zinc/32/54/91/387325491.db2.gz KIVZPSAROWJEEN-GVXVVHGQSA-N 2 0 239.363 0.844 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418391726 387327889 /nfs/dbraw/zinc/32/78/89/387327889.db2.gz YSXOTVXGQQEVJV-JTQLQIEISA-N 2 0 228.340 0.037 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000423483816 387329750 /nfs/dbraw/zinc/32/97/50/387329750.db2.gz RRONOWMVPUMXDN-VWYCJHECSA-N 2 0 247.333 0.913 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000390513743 387331428 /nfs/dbraw/zinc/33/14/28/387331428.db2.gz CKVPWOZWQXLYAR-XKNYDFJKSA-N 2 0 213.325 0.308 20 0 BCADRP CCC[C@H](C(=O)NC[C@H]([NH3+])C1CC1)[NH+](C)C ZINC000423488882 387333869 /nfs/dbraw/zinc/33/38/69/387333869.db2.gz ZJFQOXBVALFXOR-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000423491726 387335309 /nfs/dbraw/zinc/33/53/09/387335309.db2.gz ZQUIJEAQTKVJKX-OUAUKWLOSA-N 2 0 247.333 0.961 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)[C@H]1C[C@H]1C ZINC000423490849 387335437 /nfs/dbraw/zinc/33/54/37/387335437.db2.gz IQTVEXQFSUPROK-KXNHARMFSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@H](NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCCC[NH2+]1 ZINC000423494648 387337595 /nfs/dbraw/zinc/33/75/95/387337595.db2.gz SMUZLIZSLCUSPQ-RWMBFGLXSA-N 2 0 241.379 0.485 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373044961 387342228 /nfs/dbraw/zinc/34/22/28/387342228.db2.gz WKMULWYUMIRXKP-LOWVWBTDSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000572362302 387347456 /nfs/dbraw/zinc/34/74/56/387347456.db2.gz CPBODDFQDKWLTA-MWLCHTKSSA-N 2 0 221.304 0.397 20 0 BCADRP CCC[NH2+]CCNC(=O)NC[C@H](C)C[NH2+]C ZINC000418399332 387425273 /nfs/dbraw/zinc/42/52/73/387425273.db2.gz WZJPQARJEPPDIY-SNVBAGLBSA-N 2 0 230.356 0.141 20 0 BCADRP C[C@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000374157924 387428121 /nfs/dbraw/zinc/42/81/21/387428121.db2.gz GPQWTKCHCYRUBS-UMSGYPCISA-N 2 0 224.348 0.783 20 0 BCADRP C[C@H]1C[N@H+](C)CCN1CC[NH+]1CCCOCC1 ZINC000361283408 387430725 /nfs/dbraw/zinc/43/07/25/387430725.db2.gz YOSFEIPGGMPSNC-ZDUSSCGKSA-N 2 0 241.379 0.345 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(C)(C)C[NH3+] ZINC000423849538 387433413 /nfs/dbraw/zinc/43/34/13/387433413.db2.gz PIMHOILRHZSGNF-UHFFFAOYSA-N 2 0 227.352 0.524 20 0 BCADRP CCCC[N@H+](C)CCNC1=[NH+]CCCN1 ZINC000304082400 387434013 /nfs/dbraw/zinc/43/40/13/387434013.db2.gz YYKSHUOCAOJRJF-UHFFFAOYSA-N 2 0 212.341 0.657 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423845197 387434349 /nfs/dbraw/zinc/43/43/49/387434349.db2.gz KBFWPIKVJHDQIE-LBPRGKRZSA-N 2 0 241.379 0.770 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000423845656 387435457 /nfs/dbraw/zinc/43/54/57/387435457.db2.gz KNTLADRVHUEUBZ-ZDUSSCGKSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423848639 387435672 /nfs/dbraw/zinc/43/56/72/387435672.db2.gz OHAMXVCXXVNHSU-JTQLQIEISA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423848641 387435737 /nfs/dbraw/zinc/43/57/37/387435737.db2.gz OHAMXVCXXVNHSU-SNVBAGLBSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423856004 387437194 /nfs/dbraw/zinc/43/71/94/387437194.db2.gz XVQMHFXLSQNOJO-SECBINFHSA-N 2 0 213.325 0.276 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000423855440 387437793 /nfs/dbraw/zinc/43/77/93/387437793.db2.gz XDQMMDZVLJUPOH-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000516059236 387452205 /nfs/dbraw/zinc/45/22/05/387452205.db2.gz CYFRGMMPIABYFF-DDHJBXDOSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423945352 387456111 /nfs/dbraw/zinc/45/61/11/387456111.db2.gz AUTPTHBJPDMCCY-SNVBAGLBSA-N 2 0 229.368 0.816 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000374468727 387456482 /nfs/dbraw/zinc/45/64/82/387456482.db2.gz KHSIOAVUDYCSGH-NOOOWODRSA-N 2 0 237.347 0.467 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423954547 387458279 /nfs/dbraw/zinc/45/82/79/387458279.db2.gz KIJBKHLSMUAXRK-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000423976627 387459512 /nfs/dbraw/zinc/45/95/12/387459512.db2.gz MUUULFZPJUAAIS-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[NH2+][C@@H](C)C1)[C@H](C)[NH3+] ZINC000423604454 387385656 /nfs/dbraw/zinc/38/56/56/387385656.db2.gz FYKASYDBYVBKKS-GARJFASQSA-N 2 0 227.352 0.426 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)CC1(C[NH3+])CC1 ZINC000423632485 387389465 /nfs/dbraw/zinc/38/94/65/387389465.db2.gz JXHKMNYICACWEJ-LLVKDONJSA-N 2 0 239.363 0.845 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000423627112 387389793 /nfs/dbraw/zinc/38/97/93/387389793.db2.gz HWFUGOFADOUISC-SECBINFHSA-N 2 0 232.287 0.672 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH3+])[C@H]1C)[NH+](C)C ZINC000423656293 387390895 /nfs/dbraw/zinc/39/08/95/387390895.db2.gz WLLPFVALYMUTSL-OUAUKWLOSA-N 2 0 227.352 0.521 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000423656639 387391552 /nfs/dbraw/zinc/39/15/52/387391552.db2.gz XICAELQFNMYBCA-QJPTWQEYSA-N 2 0 239.363 0.809 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH3+])[C@H]1C)[NH+](C)C ZINC000423656294 387391780 /nfs/dbraw/zinc/39/17/80/387391780.db2.gz WLLPFVALYMUTSL-VWYCJHECSA-N 2 0 227.352 0.521 20 0 BCADRP CCC[C@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])[NH+](C)C ZINC000423672545 387393346 /nfs/dbraw/zinc/39/33/46/387393346.db2.gz DXGFDVUGDCWNES-LPEHRKFASA-N 2 0 215.341 0.569 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC[N@@H+]1C ZINC000648112101 387394443 /nfs/dbraw/zinc/39/44/43/387394443.db2.gz UOJVDJSGVXMKLP-QCNOEVLYSA-N 2 0 239.363 0.441 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000083360388 387404657 /nfs/dbraw/zinc/40/46/57/387404657.db2.gz YCIQSPQPNPYCAK-SECBINFHSA-N 2 0 233.381 0.135 20 0 BCADRP COCCN(CC[NH+](C)C)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000423750627 387409750 /nfs/dbraw/zinc/40/97/50/387409750.db2.gz XWSMLRWXWXDIII-GHMZBOCLSA-N 2 0 245.367 0.006 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000423757848 387411725 /nfs/dbraw/zinc/41/17/25/387411725.db2.gz MCOMYKXVYYOOLY-GFCCVEGCSA-N 2 0 239.363 0.811 20 0 BCADRP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)CC1CCCC1 ZINC000515649840 387413707 /nfs/dbraw/zinc/41/37/07/387413707.db2.gz BZXMEXFIXLDARR-NEPJUHHUSA-N 2 0 230.352 0.098 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)C[NH3+] ZINC000423767083 387418322 /nfs/dbraw/zinc/41/83/22/387418322.db2.gz DFHOMABPLBNIIR-TUAOUCFPSA-N 2 0 239.363 0.666 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C1([NH3+])CC1 ZINC000423772487 387421197 /nfs/dbraw/zinc/42/11/97/387421197.db2.gz LFYCNYVSAGJYKN-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C1CC[NH2+]CC1 ZINC000336598209 387422155 /nfs/dbraw/zinc/42/21/55/387422155.db2.gz WRONWGGCYAIJRM-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@]1(CNC(=O)[C@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000336598526 387422699 /nfs/dbraw/zinc/42/26/99/387422699.db2.gz STNCTBMVEXVBNG-PWSUYJOCSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000424016990 387466894 /nfs/dbraw/zinc/46/68/94/387466894.db2.gz FEANVCVALARCGE-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC000424021900 387468594 /nfs/dbraw/zinc/46/85/94/387468594.db2.gz SECOHWCAAROUFL-NSHDSACASA-N 2 0 229.368 0.641 20 0 BCADRP C[NH2+]Cc1ccc(NC(=O)[C@@H](C)[NH3+])cc1 ZINC000516183220 387469653 /nfs/dbraw/zinc/46/96/53/387469653.db2.gz LMSMEHPDUXWKLR-MRVPVSSYSA-N 2 0 207.277 0.692 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)[NH+](C)C ZINC000424047322 387470185 /nfs/dbraw/zinc/47/01/85/387470185.db2.gz UISCCZSTPGPNRC-UTUOFQBUSA-N 2 0 241.379 0.829 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)[C@H](C)[NH3+] ZINC000424045125 387470278 /nfs/dbraw/zinc/47/02/78/387470278.db2.gz LUPBILIYUNQUAM-IRCOFANPSA-N 2 0 241.379 0.863 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000424060621 387474593 /nfs/dbraw/zinc/47/45/93/387474593.db2.gz QFJGAWDDQRBVDL-NWDGAFQWSA-N 2 0 248.330 0.025 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCC[NH2+]C1CC1 ZINC000643507198 387475572 /nfs/dbraw/zinc/47/55/72/387475572.db2.gz VNVFJIJJSVVZSB-ZWNOBZJWSA-N 2 0 223.364 0.811 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NCC[NH2+]C1CC1 ZINC000643508266 387481658 /nfs/dbraw/zinc/48/16/58/387481658.db2.gz ZRZNJFHQZKCTOJ-JQWIXIFHSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000424082165 387486358 /nfs/dbraw/zinc/48/63/58/387486358.db2.gz WBALTDKKHRCGQK-AXTRIDKLSA-N 2 0 233.315 0.670 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000643474571 387492480 /nfs/dbraw/zinc/49/24/80/387492480.db2.gz QEKDJEFPFMZLLK-WOPDTQHZSA-N 2 0 211.353 0.668 20 0 BCADRP Cn1nncc1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000375776233 387581980 /nfs/dbraw/zinc/58/19/80/387581980.db2.gz GBAAWZIXYWVJQS-LLVKDONJSA-N 2 0 237.351 0.731 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]CCN1CCOC[C@H]1C ZINC000422714137 387628207 /nfs/dbraw/zinc/62/82/07/387628207.db2.gz KRFDQXPTXHAIID-QWHCGFSZSA-N 2 0 243.395 0.814 20 0 BCADRP CC(C)([NH3+])CC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000362274776 387590920 /nfs/dbraw/zinc/59/09/20/387590920.db2.gz FXCNMTZCCQVRFB-UHFFFAOYSA-N 2 0 248.330 0.793 20 0 BCADRP C[C@@H]1C[C@H](N(C)CC(=O)N(C)C)CC[N@@H+]1C ZINC000123806281 387596227 /nfs/dbraw/zinc/59/62/27/387596227.db2.gz CGZBCGRWAUWMHP-GHMZBOCLSA-N 2 0 227.352 0.489 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC(C)(C)CC[NH3+] ZINC000422539048 387596663 /nfs/dbraw/zinc/59/66/63/387596663.db2.gz JGXBTUVAYZIQCP-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422540177 387597369 /nfs/dbraw/zinc/59/73/69/387597369.db2.gz LMZUGQWLOGDXBL-DBIOUOCHSA-N 2 0 227.352 0.413 20 0 BCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424127893 387603110 /nfs/dbraw/zinc/60/31/10/387603110.db2.gz DQMGAIRZEWIMIR-MXWKQRLJSA-N 2 0 225.336 0.134 20 0 BCADRP C[N@H+](CCNC(=O)NC(C)(C)CC[NH3+])C1CC1 ZINC000422590611 387604318 /nfs/dbraw/zinc/60/43/18/387604318.db2.gz ASGWFYAKKSSJHJ-UHFFFAOYSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422603795 387604370 /nfs/dbraw/zinc/60/43/70/387604370.db2.gz ADFSFYYMYVYADX-GHMZBOCLSA-N 2 0 242.367 0.317 20 0 BCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCC(C)(C)[NH3+] ZINC000422606653 387605220 /nfs/dbraw/zinc/60/52/20/387605220.db2.gz JHKGTTTWUXQXHK-JTQLQIEISA-N 2 0 242.367 0.459 20 0 BCADRP C[NH+](C)CCCCNC(=O)C[NH2+]CC1CC1 ZINC000041679536 387606127 /nfs/dbraw/zinc/60/61/27/387606127.db2.gz UTEVCRONONHYME-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP C[NH+](C)CCCCNC(=O)CC1CC[NH2+]CC1 ZINC000041679590 387606193 /nfs/dbraw/zinc/60/61/93/387606193.db2.gz PSVKIQDBCNBPPN-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP CC[NH2+]CCNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422611779 387606943 /nfs/dbraw/zinc/60/69/43/387606943.db2.gz SUEGBMDYIAUBDX-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP CCC[C@@H](C(=O)N1CCC[NH2+]CC1)[NH+](C)C ZINC000422716791 387629233 /nfs/dbraw/zinc/62/92/33/387629233.db2.gz VHIAFPUBMPMZAS-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP C[NH2+]CCCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422631771 387611410 /nfs/dbraw/zinc/61/14/10/387611410.db2.gz FXICPZMPNUTUFC-UTUOFQBUSA-N 2 0 213.369 0.901 20 0 BCADRP CC[N@@H+]1CC[C@H](CN[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422687713 387613712 /nfs/dbraw/zinc/61/37/12/387613712.db2.gz BYKASLQYIHTPCT-JHJVBQTASA-N 2 0 225.380 0.916 20 0 BCADRP COC[C@@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422702991 387617240 /nfs/dbraw/zinc/61/72/40/387617240.db2.gz MAFIMCMNCWMFRO-DCAQKATOSA-N 2 0 200.326 0.999 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN1CCOC[C@@H]1C ZINC000422707526 387621696 /nfs/dbraw/zinc/62/16/96/387621696.db2.gz AHJPGZFMZGQCCL-SRVKXCTJSA-N 2 0 229.368 0.423 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000527533878 387624815 /nfs/dbraw/zinc/62/48/15/387624815.db2.gz WXMBMYCCBCYEIW-IJLUTSLNSA-N 2 0 223.364 0.859 20 0 BCADRP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000422712260 387626404 /nfs/dbraw/zinc/62/64/04/387626404.db2.gz NUDKDOZLQUYEDE-JHJVBQTASA-N 2 0 241.379 0.567 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC000430548921 387627097 /nfs/dbraw/zinc/62/70/97/387627097.db2.gz WUAIPDQYVWJHAH-RYUDHWBXSA-N 2 0 239.363 0.668 20 0 BCADRP CC[NH+](CC)CCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000119639504 387554840 /nfs/dbraw/zinc/55/48/40/387554840.db2.gz AKXWXYDCULZNND-ZDUSSCGKSA-N 2 0 243.395 0.591 20 0 BCADRP CC(C)[C@@H](C(=O)NCC[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000399694019 387565437 /nfs/dbraw/zinc/56/54/37/387565437.db2.gz YVCTXJWCOKQLDK-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP CC[N@H+](C)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422718184 387631365 /nfs/dbraw/zinc/63/13/65/387631365.db2.gz PGTNJPUUJBFXEP-NEPJUHHUSA-N 2 0 213.369 0.916 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH3+])cc1 ZINC000430605514 387632303 /nfs/dbraw/zinc/63/23/03/387632303.db2.gz RKQXQCSAQPNOEX-CMPLNLGQSA-N 2 0 235.331 0.706 20 0 BCADRP C[C@H](C[NH+]1CCC(C[NH3+])CC1)CS(C)(=O)=O ZINC000430639026 387632724 /nfs/dbraw/zinc/63/27/24/387632724.db2.gz HCFWVYXIOZFIMW-SNVBAGLBSA-N 2 0 248.392 0.338 20 0 BCADRP [NH3+]C1CC[NH+](CCC(=O)NC2CCCC2)CC1 ZINC000430629398 387635391 /nfs/dbraw/zinc/63/53/91/387635391.db2.gz QESCFBPCVILVMS-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[NH2+]C1)[C@H](C)[NH3+] ZINC000422725554 387636135 /nfs/dbraw/zinc/63/61/35/387636135.db2.gz BVEPDLDKKSXMDC-AXFHLTTASA-N 2 0 227.352 0.474 20 0 BCADRP CC[NH+](CC)CCCN[C@H](C)C1C[NH2+]C1 ZINC000422726199 387636498 /nfs/dbraw/zinc/63/64/98/387636498.db2.gz DKHYTOXBCNKLIV-LLVKDONJSA-N 2 0 213.369 0.916 20 0 BCADRP C[NH+](C)[C@@]1(CNC(=O)CCC[NH3+])CCSC1 ZINC000430687355 387638981 /nfs/dbraw/zinc/63/89/81/387638981.db2.gz QGFYQEGDICRGGF-LLVKDONJSA-N 2 0 245.392 0.279 20 0 BCADRP CCCNC(=O)CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422728364 387639294 /nfs/dbraw/zinc/63/92/94/387639294.db2.gz FYRFVDFOVVCCTO-NWDGAFQWSA-N 2 0 241.379 0.880 20 0 BCADRP C[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)[NH+](C)C ZINC000422734822 387642741 /nfs/dbraw/zinc/64/27/41/387642741.db2.gz CZZGNRMMELYPSI-IJLUTSLNSA-N 2 0 213.369 0.914 20 0 BCADRP C[C@H](CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[NH+](C)C ZINC000422738553 387646606 /nfs/dbraw/zinc/64/66/06/387646606.db2.gz JUDKAJANJKNELR-WXHSDQCUSA-N 2 0 241.379 0.293 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000422792728 387695218 /nfs/dbraw/zinc/69/52/18/387695218.db2.gz WEUMUKUQYJENGO-VHSXEESVSA-N 2 0 215.341 0.332 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000430741805 387646773 /nfs/dbraw/zinc/64/67/73/387646773.db2.gz FAWGICLFOIDAFB-MXWKQRLJSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(C2CC2)C1 ZINC000422746166 387650210 /nfs/dbraw/zinc/65/02/10/387650210.db2.gz WBVXXFJVAAEFJY-DCAQKATOSA-N 2 0 211.353 0.939 20 0 BCADRP C[C@H]1C[C@@H](N(C)C(=O)CC[NH3+])CC[N@@H+]1C ZINC000430792116 387651598 /nfs/dbraw/zinc/65/15/98/387651598.db2.gz HCKXFQYXZJCXNL-UWVGGRQHSA-N 2 0 213.325 0.276 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430890634 387657958 /nfs/dbraw/zinc/65/79/58/387657958.db2.gz RHEYCIBDLHKVTP-NEPJUHHUSA-N 2 0 239.363 0.665 20 0 BCADRP CN(C(=O)C(C)(C)C[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430898987 387658774 /nfs/dbraw/zinc/65/87/74/387658774.db2.gz YLBWTAFKHAWYKR-LLVKDONJSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H](C[NH2+][C@@H](C)CCC[NH3+])CN1CCOCC1 ZINC000422756104 387659042 /nfs/dbraw/zinc/65/90/42/387659042.db2.gz GFMSKJIOVOVJLH-STQMWFEESA-N 2 0 243.395 0.672 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430896932 387659248 /nfs/dbraw/zinc/65/92/48/387659248.db2.gz LRKJVBATWGHPFJ-PWSUYJOCSA-N 2 0 239.363 0.537 20 0 BCADRP CN(C(=O)CCC[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430899808 387659349 /nfs/dbraw/zinc/65/93/49/387659349.db2.gz NMRFWPMFIOZUSZ-LLVKDONJSA-N 2 0 225.336 0.420 20 0 BCADRP C[C@H](C[NH2+][C@@H](C)CCC[NH3+])CN1CCOCC1 ZINC000422756102 387659551 /nfs/dbraw/zinc/65/95/51/387659551.db2.gz GFMSKJIOVOVJLH-OLZOCXBDSA-N 2 0 243.395 0.672 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CCC[C@H]1[NH3+] ZINC000422758173 387660842 /nfs/dbraw/zinc/66/08/42/387660842.db2.gz NPYYBIWORGQOPP-UTUOFQBUSA-N 2 0 211.353 0.940 20 0 BCADRP C[C@H]1C[N@H+](CCCN2CCOCC2)CC[C@H]1[NH3+] ZINC000430919578 387661074 /nfs/dbraw/zinc/66/10/74/387661074.db2.gz LRJNCNGQJAOXFF-QWHCGFSZSA-N 2 0 241.379 0.378 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NCC[NH+]1CCCC1 ZINC000422763902 387665622 /nfs/dbraw/zinc/66/56/22/387665622.db2.gz OBAVCOZMGFOXAG-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]C[C@@H]1CCN([C@H](C(N)=O)c2ccccc2)C1 ZINC000430966860 387666474 /nfs/dbraw/zinc/66/64/74/387666474.db2.gz PTRNWFBZRXRBJD-AAEUAGOBSA-N 2 0 247.342 0.754 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CN[C@@H](C)C1C[NH2+]C1 ZINC000422769019 387667101 /nfs/dbraw/zinc/66/71/01/387667101.db2.gz ZWRAGSZWFABDRJ-JQWIXIFHSA-N 2 0 211.353 0.668 20 0 BCADRP CC(C)C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[NH+](C)C ZINC000424137313 387667813 /nfs/dbraw/zinc/66/78/13/387667813.db2.gz RYMFKCTUVYPVHE-AXFHLTTASA-N 2 0 227.352 0.426 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)C1C[NH2+]C1 ZINC000422769018 387667862 /nfs/dbraw/zinc/66/78/62/387667862.db2.gz ZWRAGSZWFABDRJ-CMPLNLGQSA-N 2 0 211.353 0.668 20 0 BCADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C[C@H](C)[NH3+] ZINC000431012959 387669851 /nfs/dbraw/zinc/66/98/51/387669851.db2.gz HFVDDDBCNRBMPR-WDEREUQCSA-N 2 0 245.367 0.197 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000431025367 387669990 /nfs/dbraw/zinc/66/99/90/387669990.db2.gz YZKCFKPIIMPVKR-CKYFFXLPSA-N 2 0 237.347 0.195 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000376793977 387670103 /nfs/dbraw/zinc/67/01/03/387670103.db2.gz KICDCIIZYODGMQ-LLVKDONJSA-N 2 0 225.336 0.006 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000376789438 387670795 /nfs/dbraw/zinc/67/07/95/387670795.db2.gz HZQIXFGPDISOGU-JQWIXIFHSA-N 2 0 245.342 0.520 20 0 BCADRP Cn1ncnc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431021524 387671153 /nfs/dbraw/zinc/67/11/53/387671153.db2.gz CQKQLGCBRZSUOZ-UHFFFAOYSA-N 2 0 235.335 0.391 20 0 BCADRP CC(C)[C@H](O)CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000422775874 387673178 /nfs/dbraw/zinc/67/31/78/387673178.db2.gz BPRQMRBBPXOSKF-GRYCIOLGSA-N 2 0 214.353 0.981 20 0 BCADRP C[C@@H](NCC(F)(F)CN)C1CC[NH+](C)CC1 ZINC000643519932 387673440 /nfs/dbraw/zinc/67/34/40/387673440.db2.gz JAHGZQPLOANVLP-SECBINFHSA-N 2 0 235.322 0.900 20 0 BCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424139001 387675007 /nfs/dbraw/zinc/67/50/07/387675007.db2.gz DRTYCTNMYTYPDW-DBIOUOCHSA-N 2 0 223.320 0.029 20 0 BCADRP C[C@@H]1CCNC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000422777191 387675473 /nfs/dbraw/zinc/67/54/73/387675473.db2.gz FQJLDNMVRDCVCW-VXGBXAGGSA-N 2 0 213.369 0.916 20 0 BCADRP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH3+])[C@@H](C)[NH3+] ZINC000422779805 387677898 /nfs/dbraw/zinc/67/78/98/387677898.db2.gz JEXFQHCPDBBKDF-IVZWLZJFSA-N 2 0 215.341 0.459 20 0 BCADRP COCCC[N@H+](C)CCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422786193 387686599 /nfs/dbraw/zinc/68/65/99/387686599.db2.gz SIOUCYMWYWSUHG-CHWSQXEVSA-N 2 0 243.395 0.685 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1NCCC[NH+](C)C ZINC000422742955 387689595 /nfs/dbraw/zinc/68/95/95/387689595.db2.gz HJQUWHPLFREFLI-RYUDHWBXSA-N 2 0 213.369 0.916 20 0 BCADRP C[C@@H](N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422743551 387690201 /nfs/dbraw/zinc/69/02/01/387690201.db2.gz RSALLRSFYKULGN-MDZLAQPJSA-N 2 0 223.364 0.953 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000377139681 387692350 /nfs/dbraw/zinc/69/23/50/387692350.db2.gz KCKFYTCWZYKGLO-NSHDSACASA-N 2 0 239.363 0.573 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000377127292 387693427 /nfs/dbraw/zinc/69/34/27/387693427.db2.gz LVWWEKPFXDFGLK-NXQJVVEESA-N 2 0 239.363 0.759 20 0 BCADRP C[C@H](NCC[N@@H+]1CCC[C@@H](C)C1)C1C[NH2+]C1 ZINC000422862206 387743483 /nfs/dbraw/zinc/74/34/83/387743483.db2.gz PISMDUHMYFMUJG-NEPJUHHUSA-N 2 0 225.380 0.916 20 0 BCADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422871840 387749083 /nfs/dbraw/zinc/74/90/83/387749083.db2.gz ZUFQTKIMYPIRBR-AGIUHOORSA-N 3 0 243.395 0.813 20 0 BCADRP CCC[C@@H](C(=O)NCC(C)(C)[NH3+])[NH+](C)C ZINC000422874820 387752218 /nfs/dbraw/zinc/75/22/18/387752218.db2.gz DHNFZGCZSUZSPJ-VIFPVBQESA-N 2 0 215.341 0.570 20 0 BCADRP C[NH+](C)CC[C@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])C(C)(C)C ZINC000424143920 387754244 /nfs/dbraw/zinc/75/42/44/387754244.db2.gz KEQXELKWYMHRMG-VWYCJHECSA-N 2 0 241.379 0.816 20 0 BCADRP [NH3+]CC1(CC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000422800125 387699152 /nfs/dbraw/zinc/69/91/52/387699152.db2.gz AVLLDPBSLJXBQL-GFCCVEGCSA-N 2 0 247.342 0.932 20 0 BCADRP CC[N@H+](CCN[C@@H](C)C1C[NH2+]C1)C1CC1 ZINC000422877289 387755040 /nfs/dbraw/zinc/75/50/40/387755040.db2.gz HRODADAHPSUIOR-JTQLQIEISA-N 2 0 211.353 0.668 20 0 BCADRP CC[C@@H](C(=O)NCC12CC(C1)C[NH2+]2)[NH+](C)C ZINC000629614129 387712675 /nfs/dbraw/zinc/71/26/75/387712675.db2.gz YLKNJMDSERSADW-YZRBJQDESA-N 2 0 225.336 0.195 20 0 BCADRP COC[C@H](O)C[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000127336492 387712998 /nfs/dbraw/zinc/71/29/98/387712998.db2.gz VQLCFBYGTNJVSP-GRYCIOLGSA-N 2 0 230.352 0.408 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000377389801 387714525 /nfs/dbraw/zinc/71/45/25/387714525.db2.gz IIINHDFFTWJERE-DMDPSCGWSA-N 2 0 237.347 0.326 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000629613828 387714596 /nfs/dbraw/zinc/71/45/96/387714596.db2.gz UBBVGHIJGSEMAL-GARJFASQSA-N 2 0 227.352 0.583 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000422824662 387720079 /nfs/dbraw/zinc/72/00/79/387720079.db2.gz HTFIGZROWWHKAB-AXFHLTTASA-N 2 0 229.368 0.578 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)CC1(C[NH3+])CC1 ZINC000422831239 387721683 /nfs/dbraw/zinc/72/16/83/387721683.db2.gz JKSVAFQPXGCVHK-SNVBAGLBSA-N 2 0 227.352 0.605 20 0 BCADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC000356806189 387723917 /nfs/dbraw/zinc/72/39/17/387723917.db2.gz MNKUVUROOVUGTD-NEPJUHHUSA-N 2 0 241.379 0.926 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000431656997 387724993 /nfs/dbraw/zinc/72/49/93/387724993.db2.gz FVJIBGZWBFIWMQ-KXNHARMFSA-N 2 0 237.347 0.467 20 0 BCADRP CCC[C@H](C(=O)NC[C@H](C)C[NH2+]C)[NH+](C)C ZINC000422832746 387726840 /nfs/dbraw/zinc/72/68/40/387726840.db2.gz VNLROTGQJGVOEP-GHMZBOCLSA-N 2 0 229.368 0.688 20 0 BCADRP COCC[N@H+](C)CCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422843748 387730351 /nfs/dbraw/zinc/73/03/51/387730351.db2.gz JIOVJFZMOJVXHC-VXGBXAGGSA-N 2 0 229.368 0.424 20 0 BCADRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424143902 387755739 /nfs/dbraw/zinc/75/57/39/387755739.db2.gz KCXQGCLFFFSVKN-KKOKHZNYSA-N 2 0 237.347 0.419 20 0 BCADRP COCC[N@H+](C)CCCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422841395 387732195 /nfs/dbraw/zinc/73/21/95/387732195.db2.gz CWOQYDVKLSURRM-OLZOCXBDSA-N 2 0 243.395 0.672 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CCC[C@H]1[NH3+] ZINC000422876879 387755867 /nfs/dbraw/zinc/75/58/67/387755867.db2.gz QVUUYRYAZREPTG-XEZLXBQYSA-N 2 0 223.364 0.939 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000424142531 387733816 /nfs/dbraw/zinc/73/38/16/387733816.db2.gz YKHXNEBCUBMROU-XWLWVQCSSA-N 2 0 223.320 0.077 20 0 BCADRP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)C1(C)C ZINC000422854300 387737825 /nfs/dbraw/zinc/73/78/25/387737825.db2.gz UAPMQDTVCKMHNY-JMJZKYOTSA-N 2 0 212.337 0.997 20 0 BCADRP CC[N@H+](CCN[C@H](C)C1C[NH2+]C1)C1CC1 ZINC000422877399 387756094 /nfs/dbraw/zinc/75/60/94/387756094.db2.gz HRODADAHPSUIOR-SNVBAGLBSA-N 2 0 211.353 0.668 20 0 BCADRP COCC[N@@H+]1CC[C@H](N[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422892901 387762594 /nfs/dbraw/zinc/76/25/94/387762594.db2.gz ZSDWLCWJDGTOBS-AGIUHOORSA-N 2 0 241.379 0.437 20 0 BCADRP COCC[N@@H+]1CC[C@@H](N[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422892907 387763127 /nfs/dbraw/zinc/76/31/27/387763127.db2.gz ZSDWLCWJDGTOBS-XQQFMLRXSA-N 2 0 241.379 0.437 20 0 BCADRP COc1cccc(C[C@H](C)[NH2+]C[C@@H](C)[NH3+])n1 ZINC000643527392 387765061 /nfs/dbraw/zinc/76/50/61/387765061.db2.gz LZGXUXKMSOIGAD-ZJUUUORDSA-N 2 0 223.320 0.958 20 0 BCADRP COCC[N@H+](C)CCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422904538 387767537 /nfs/dbraw/zinc/76/75/37/387767537.db2.gz GXMACHKFKSENJC-NWDGAFQWSA-N 2 0 229.368 0.152 20 0 BCADRP COCC[N@H+](C)CCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422904539 387767777 /nfs/dbraw/zinc/76/77/77/387767777.db2.gz GXMACHKFKSENJC-RYUDHWBXSA-N 2 0 229.368 0.152 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000378182641 387769109 /nfs/dbraw/zinc/76/91/09/387769109.db2.gz LJRXDNHZQCQWJQ-FIOVSDBCSA-N 2 0 239.363 0.903 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCC[N@@H+]1C ZINC000422908558 387769389 /nfs/dbraw/zinc/76/93/89/387769389.db2.gz YQJDENBXVDVLJQ-WOPDTQHZSA-N 2 0 211.353 0.668 20 0 BCADRP CC[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422911165 387769714 /nfs/dbraw/zinc/76/97/14/387769714.db2.gz KAXJEVDGRUCZHA-SNVBAGLBSA-N 2 0 228.336 0.917 20 0 BCADRP COCCN(C)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422910111 387769731 /nfs/dbraw/zinc/76/97/31/387769731.db2.gz PTVCRFMMCXYHDC-UHFFFAOYSA-N 2 0 243.395 0.672 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000378187940 387770320 /nfs/dbraw/zinc/77/03/20/387770320.db2.gz PJMQRRHGIPCSGC-NEPJUHHUSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)NCC1([NH3+])CCCCC1 ZINC000418301424 387812073 /nfs/dbraw/zinc/81/20/73/387812073.db2.gz YPJXMELHMBZGCT-JTQLQIEISA-N 2 0 242.367 0.542 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000441610297 387770916 /nfs/dbraw/zinc/77/09/16/387770916.db2.gz LWNPPDPXGYPPOP-GRYCIOLGSA-N 2 0 241.379 0.723 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422914402 387771237 /nfs/dbraw/zinc/77/12/37/387771237.db2.gz UABNHEPFSWZRCE-STQMWFEESA-N 2 0 247.342 0.886 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000441623570 387771712 /nfs/dbraw/zinc/77/17/12/387771712.db2.gz IADMRQLDLUTYBY-WOPDTQHZSA-N 2 0 241.379 0.995 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000441626729 387772518 /nfs/dbraw/zinc/77/25/18/387772518.db2.gz JHBMYABFDCWNIX-PWSUYJOCSA-N 2 0 235.331 0.267 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000422917994 387773833 /nfs/dbraw/zinc/77/38/33/387773833.db2.gz GNQHVSZMCSZCCE-QCNOEVLYSA-N 2 0 239.363 0.713 20 0 BCADRP CC[C@H](C(=O)NC[C@@H](C)C[NH3+])[NH+](CC)CC ZINC000441628515 387774390 /nfs/dbraw/zinc/77/43/90/387774390.db2.gz RCEYBPQYVINNBZ-WDEREUQCSA-N 2 0 229.368 0.818 20 0 BCADRP C[C@H]([NH2+][C@H]1CC(=O)N([C@H]2C[C@H]2C)C1)C1C[NH2+]C1 ZINC000422919380 387776399 /nfs/dbraw/zinc/77/63/99/387776399.db2.gz JSYZSDBFXGPVMD-QCZKYFFMSA-N 2 0 237.347 0.193 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000163583527 387777236 /nfs/dbraw/zinc/77/72/36/387777236.db2.gz KZDXBBMMIVZOQO-SNVBAGLBSA-N 2 0 245.392 0.279 20 0 BCADRP CC[C@H]([NH2+]CCCC(=O)NC)[C@@H]1CCC[NH2+]1 ZINC000422936429 387782796 /nfs/dbraw/zinc/78/27/96/387782796.db2.gz BPPALARHSUFCOK-QWRGUYRKSA-N 2 0 227.352 0.633 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C1(C)C[NH2+]C1 ZINC000422900973 387785820 /nfs/dbraw/zinc/78/58/20/387785820.db2.gz RGNQALGYFANTJB-UHFFFAOYSA-N 2 0 213.325 0.039 20 0 BCADRP CC[C@H](C)[N@H+](C)CCN[C@@H](C)C1C[NH2+]C1 ZINC000422901818 387787137 /nfs/dbraw/zinc/78/71/37/387787137.db2.gz CLDNGECAJUVUDL-QWRGUYRKSA-N 2 0 213.369 0.914 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1c[nH+]ccc1-n1ccnc1 ZINC000424148960 387789347 /nfs/dbraw/zinc/78/93/47/387789347.db2.gz VMGDUYAOGQYAJN-DTWKUNHWSA-N 2 0 243.270 0.553 20 0 BCADRP CC[C@H]([NH2+]C[C@@](C)(O)CCOC)[C@@H]1CCC[NH2+]1 ZINC000422982443 387794585 /nfs/dbraw/zinc/79/45/85/387794585.db2.gz WUILKFMGFPZRCS-AVGNSLFASA-N 2 0 244.379 0.894 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCn1cccn1 ZINC000422985198 387796649 /nfs/dbraw/zinc/79/66/49/387796649.db2.gz CNJYKVDHKAJHHY-NWDGAFQWSA-N 2 0 222.336 0.861 20 0 BCADRP C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)C1C[NH2+]C1 ZINC000422992518 387800102 /nfs/dbraw/zinc/80/01/02/387800102.db2.gz CUVBFSVVSJPAQN-KOLCDFICSA-N 2 0 214.353 0.981 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000051694827 387800342 /nfs/dbraw/zinc/80/03/42/387800342.db2.gz GEVYUZODZZZQRQ-AGVGLQIMSA-N 2 0 227.352 0.746 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000309493766 387810471 /nfs/dbraw/zinc/81/04/71/387810471.db2.gz STOTVLLCUFBSEN-VHSXEESVSA-N 2 0 215.341 0.476 20 0 BCADRP COCCN1CC[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422882204 387757956 /nfs/dbraw/zinc/75/79/56/387757956.db2.gz ANSOPOXLIDFQHJ-AVGNSLFASA-N 2 0 241.379 0.424 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC[NH2+]CC ZINC000418317971 387819877 /nfs/dbraw/zinc/81/98/77/387819877.db2.gz OKZNIBJRZSVZAX-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP CC[C@H]([NH2+][C@H](C)CCO)[C@@H]1CCC[NH2+]1 ZINC000422975240 387822728 /nfs/dbraw/zinc/82/27/28/387822728.db2.gz GGCZQBDQCAPAFE-VWYCJHECSA-N 2 0 200.326 0.878 20 0 BCADRP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000162710111 387823504 /nfs/dbraw/zinc/82/35/04/387823504.db2.gz IRJKAFVKPHZVDF-JTQLQIEISA-N 2 0 208.309 0.509 20 0 BCADRP CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422974952 387823639 /nfs/dbraw/zinc/82/36/39/387823639.db2.gz FSYFIDVNRPTAIY-AATLWQCWSA-N 2 0 220.382 0.814 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537373 387874845 /nfs/dbraw/zinc/87/48/45/387874845.db2.gz GGAHJMNPXJNKJY-XWLWVQCSSA-N 2 0 215.316 0.226 20 0 BCADRP CC(C)[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422975780 387827118 /nfs/dbraw/zinc/82/71/18/387827118.db2.gz HGYYRCZODYCSJJ-GARJFASQSA-N 2 0 200.326 0.863 20 0 BCADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H](C)CO ZINC000423005884 387830086 /nfs/dbraw/zinc/83/00/86/387830086.db2.gz NKOHLSXJTRPROM-LOWVWBTDSA-N 2 0 222.332 0.915 20 0 BCADRP CN(C(=O)[C@@H]1C[C@@H]1[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000424157962 387831761 /nfs/dbraw/zinc/83/17/61/387831761.db2.gz SCKZMHXUEIUDEL-PVJAMZLWSA-N 2 0 223.320 0.075 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1COC1 ZINC000528026861 387831838 /nfs/dbraw/zinc/83/18/38/387831838.db2.gz REUAJOCJXHCRLE-CKYFFXLPSA-N 2 0 212.337 0.951 20 0 BCADRP CC(C)C[C@@H]([NH3+])c1noc(CC2C[NH2+]C2)n1 ZINC000442751773 387834445 /nfs/dbraw/zinc/83/44/45/387834445.db2.gz RPZFNBAZTDIKRM-SECBINFHSA-N 2 0 224.308 0.877 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCN1CCCC1=O ZINC000442774867 387836794 /nfs/dbraw/zinc/83/67/94/387836794.db2.gz DNIWCFIUNNGXTD-WDEREUQCSA-N 2 0 225.336 0.278 20 0 BCADRP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)C1=O ZINC000442792522 387840570 /nfs/dbraw/zinc/84/05/70/387840570.db2.gz QHVSIVAYKQVARA-UTUOFQBUSA-N 2 0 239.363 0.665 20 0 BCADRP Cc1ncc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c(=O)[nH]1 ZINC000423026107 387843978 /nfs/dbraw/zinc/84/39/78/387843978.db2.gz ALTCIUBREJFWKF-KOLCDFICSA-N 2 0 236.319 0.708 20 0 BCADRP CC[C@H]([NH2+]CC[C@H](O)COC)[C@@H]1CCC[NH2+]1 ZINC000423024747 387844175 /nfs/dbraw/zinc/84/41/75/387844175.db2.gz MLQXBXWMZAIDQS-SRVKXCTJSA-N 2 0 230.352 0.504 20 0 BCADRP Cc1ncc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(=O)[nH]1 ZINC000423028810 387846259 /nfs/dbraw/zinc/84/62/59/387846259.db2.gz HEQVPAJUGKVQHZ-SFYZADRCSA-N 2 0 224.308 0.706 20 0 BCADRP [NH3+]C1CC[NH+](CCCC(=O)NCC(F)F)CC1 ZINC000433160171 387874042 /nfs/dbraw/zinc/87/40/42/387874042.db2.gz NYCQPBKPULFVNC-UHFFFAOYSA-N 2 0 249.305 0.571 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000062076603 387850511 /nfs/dbraw/zinc/85/05/11/387850511.db2.gz MOSDARURLCZUPL-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP CC1=CC[N@H+](CCN[C@H]2CC[NH2+]C2)CC1 ZINC000423039762 387853674 /nfs/dbraw/zinc/85/36/74/387853674.db2.gz ROENLICDDOLDDV-LBPRGKRZSA-N 2 0 209.337 0.590 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534897 387861808 /nfs/dbraw/zinc/86/18/08/387861808.db2.gz FJWGISXWDRJDHL-UTUOFQBUSA-N 2 0 223.364 0.668 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@H]2CCCC(=O)N2)CC1 ZINC000433093814 387864708 /nfs/dbraw/zinc/86/47/08/387864708.db2.gz VYWZAAYVSUTSAJ-GFCCVEGCSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH+](C)C1(CN[C@H]2CCC[C@H]2[NH3+])CCC1 ZINC000423057672 387865664 /nfs/dbraw/zinc/86/56/64/387865664.db2.gz HVQDPAMVTMEUKK-MNOVXSKESA-N 2 0 211.353 0.940 20 0 BCADRP C[C@H](N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000643536239 387867344 /nfs/dbraw/zinc/86/73/44/387867344.db2.gz OZYMGANMVXZUOY-SRVKXCTJSA-N 2 0 223.364 0.859 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000423065808 387869544 /nfs/dbraw/zinc/86/95/44/387869544.db2.gz CMVNRLUWLAJDBX-CHWSQXEVSA-N 3 0 243.395 0.542 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000442654356 387814855 /nfs/dbraw/zinc/81/48/55/387814855.db2.gz QUBULAHKXSAMIW-JTQLQIEISA-N 2 0 213.325 0.101 20 0 BCADRP CC[C@@H]1CN(C[C@H](C)[NH3+])CC[N@@H+]1CCOC ZINC000442654353 387815004 /nfs/dbraw/zinc/81/50/04/387815004.db2.gz BFIHYMWILKSGTA-NWDGAFQWSA-N 2 0 229.368 0.376 20 0 BCADRP C[C@@H]([NH3+])CN1CCC[C@H](Cn2cncn2)C1 ZINC000442659390 387815076 /nfs/dbraw/zinc/81/50/76/387815076.db2.gz BMHPGKWBHCYAFI-MNOVXSKESA-N 2 0 223.324 0.337 20 0 BCADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424154240 387815802 /nfs/dbraw/zinc/81/58/02/387815802.db2.gz LGWJFRZEQNOSHT-YFKTTZPYSA-N 2 0 239.363 0.570 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C[C@H](C)[NH3+])[C@@H](C)C1 ZINC000442667702 387818624 /nfs/dbraw/zinc/81/86/24/387818624.db2.gz ZRDLKLVNBDQFIP-SRVKXCTJSA-N 2 0 213.369 0.996 20 0 BCADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424156093 387819762 /nfs/dbraw/zinc/81/97/62/387819762.db2.gz NPCGNOMNAUYSND-KKOKHZNYSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)([NH3+])CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236595971 387897517 /nfs/dbraw/zinc/89/75/17/387897517.db2.gz CLOYCVIEQQJLOQ-FGWVZKOKSA-N 2 0 239.363 0.761 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424182518 387897978 /nfs/dbraw/zinc/89/79/78/387897978.db2.gz UHLBTXGTJKXQRC-AXFHLTTASA-N 2 0 225.336 0.276 20 0 BCADRP CC[C@@H](NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000643538227 387877683 /nfs/dbraw/zinc/87/76/83/387877683.db2.gz BWCWPKMHJBVJDL-YFKTTZPYSA-N 2 0 229.343 0.807 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538884 387877734 /nfs/dbraw/zinc/87/77/34/387877734.db2.gz YTZPZLUHGZFJNE-VPOLOUISSA-N 2 0 215.316 0.274 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538323 387878044 /nfs/dbraw/zinc/87/80/44/387878044.db2.gz GWFKRSVDNAXBAV-RCWTZXSCSA-N 2 0 215.316 0.403 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538885 387878551 /nfs/dbraw/zinc/87/85/51/387878551.db2.gz YTZPZLUHGZFJNE-XWLWVQCSSA-N 2 0 215.316 0.274 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000157864284 387879927 /nfs/dbraw/zinc/87/99/27/387879927.db2.gz BZLFGZOCQVVPIX-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000424178249 387889159 /nfs/dbraw/zinc/88/91/59/387889159.db2.gz QWYYACVMGSRDLV-MNOVXSKESA-N 2 0 219.288 0.692 20 0 BCADRP C[C@H]([NH2+]C[C@@H](CO)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423134730 387911278 /nfs/dbraw/zinc/91/12/78/387911278.db2.gz FCBXHOUYAAVWBX-DLOVCJGASA-N 2 0 212.337 0.735 20 0 BCADRP [NH3+][C@@H](C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000237983701 387931808 /nfs/dbraw/zinc/93/18/08/387931808.db2.gz FNSHXVZQVTWOBD-GHMZBOCLSA-N 2 0 219.288 0.246 20 0 BCADRP CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423153884 387932049 /nfs/dbraw/zinc/93/20/49/387932049.db2.gz IJUWMWZAJFKSGF-GWOFURMSSA-N 2 0 216.325 0.506 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCCCO)CC[N@@H+]1C ZINC000158151872 387935682 /nfs/dbraw/zinc/93/56/82/387935682.db2.gz XRPTUNGOCMCTMM-MNOVXSKESA-N 2 0 200.326 0.831 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCN1CCO ZINC000423144165 387921115 /nfs/dbraw/zinc/92/11/15/387921115.db2.gz GFFBCMLRKMNGDE-OLZOCXBDSA-N 2 0 243.395 0.550 20 0 BCADRP C[NH2+]CC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000237236476 387924839 /nfs/dbraw/zinc/92/48/39/387924839.db2.gz XRKJRGDSOPNWSJ-ZDUSSCGKSA-N 2 0 249.358 0.495 20 0 BCADRP C[C@@H]1CC2(C[N@@H+]1CCn1cncn1)CC[NH2+]CC2 ZINC000424286113 387953254 /nfs/dbraw/zinc/95/32/54/387953254.db2.gz GZCUPJOECBNICQ-GFCCVEGCSA-N 2 0 249.362 0.742 20 0 BCADRP C[C@H](CN1CCOCC1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424289017 387953313 /nfs/dbraw/zinc/95/33/13/387953313.db2.gz LGALZKRWFAUBSS-JHJVBQTASA-N 2 0 241.379 0.567 20 0 BCADRP C[NH+](C)CC(=O)NCC1([NH+](C)C)CCC1 ZINC000438730741 387953915 /nfs/dbraw/zinc/95/39/15/387953915.db2.gz YUDLTZXTXJIQPN-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP C[C@H]1CC2(CN1C(=O)CC[NH3+])CC[NH2+]CC2 ZINC000424222953 387938034 /nfs/dbraw/zinc/93/80/34/387938034.db2.gz KBDRCWVBHCEGHK-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423158305 387939311 /nfs/dbraw/zinc/93/93/11/387939311.db2.gz NXOHJXNYLMOKNG-MROQNXINSA-N 2 0 242.363 0.768 20 0 BCADRP C[C@@H]([NH3+])CC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000645802829 387940556 /nfs/dbraw/zinc/94/05/56/387940556.db2.gz RIGWEIMDDGAJRX-SECBINFHSA-N 2 0 239.323 0.121 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726687 387942143 /nfs/dbraw/zinc/94/21/43/387942143.db2.gz DBBJGEUQUUHWJV-FOGDFJRCSA-N 2 0 239.363 0.713 20 0 BCADRP COC[C@@H]([NH3+])C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424250084 387944309 /nfs/dbraw/zinc/94/43/09/387944309.db2.gz WSENJFYXUOHXTG-LLVKDONJSA-N 2 0 237.303 0.366 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)NCCNc1cc[nH+]cc1 ZINC000645642079 387948456 /nfs/dbraw/zinc/94/84/56/387948456.db2.gz FYJWHPGCMUYSCS-LLVKDONJSA-N 2 0 248.330 0.031 20 0 BCADRP CN(C)C(=O)CC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424302282 387961901 /nfs/dbraw/zinc/96/19/01/387961901.db2.gz ZCJWNFZKUAPUPV-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000070582622 387963085 /nfs/dbraw/zinc/96/30/85/387963085.db2.gz ROMJXFPKZMEMHX-KOLCDFICSA-N 2 0 225.336 0.276 20 0 BCADRP CO[C@H](C[NH3+])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424338510 387980832 /nfs/dbraw/zinc/98/08/32/387980832.db2.gz AJRRTORQXZQDRW-MRVPVSSYSA-N 2 0 240.307 0.834 20 0 BCADRP CO[C@@H](C[NH3+])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424338511 387980842 /nfs/dbraw/zinc/98/08/42/387980842.db2.gz AJRRTORQXZQDRW-QMMMGPOBSA-N 2 0 240.307 0.834 20 0 BCADRP COc1ccc(C[C@@H](C)[NH2+]CCC[NH3+])cn1 ZINC000423196014 387981521 /nfs/dbraw/zinc/98/15/21/387981521.db2.gz UHNWYOCBXJZMIZ-SNVBAGLBSA-N 2 0 223.320 0.960 20 0 BCADRP CNC(=O)[C@H](C)C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245695537 387973307 /nfs/dbraw/zinc/97/33/07/387973307.db2.gz QTDUDCQSQJPJMQ-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]CCCN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423201266 387987923 /nfs/dbraw/zinc/98/79/23/387987923.db2.gz OGSCVBBTMPMLRY-GHMZBOCLSA-N 2 0 211.353 0.811 20 0 BCADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)C(C)(C)C ZINC000423200827 387988370 /nfs/dbraw/zinc/98/83/70/387988370.db2.gz GPHBUMSNFSLNMX-LLVKDONJSA-N 2 0 213.369 0.916 20 0 BCADRP CC[C@H]1CC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423203121 387989292 /nfs/dbraw/zinc/98/92/92/387989292.db2.gz MAYJPLBHFIZAEK-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP FC1(F)CNCC[C@H]1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000424364194 387990062 /nfs/dbraw/zinc/99/00/62/387990062.db2.gz DBFFKPOVKTZIID-MNOVXSKESA-N 2 0 247.333 0.820 20 0 BCADRP CC(C)C[C@H]([NH3+])c1noc([C@@H]2C[C@@H]2[NH3+])n1 ZINC000424342347 387982549 /nfs/dbraw/zinc/98/25/49/387982549.db2.gz XTCIMJWBQBPPRK-CSMHCCOUSA-N 2 0 210.281 0.930 20 0 BCADRP CC[C@H](N[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423196592 387982568 /nfs/dbraw/zinc/98/25/68/387982568.db2.gz VQEPEDXIUFKBTK-WOPDTQHZSA-N 2 0 211.353 0.859 20 0 BCADRP CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)C1CC1 ZINC000423200631 387986986 /nfs/dbraw/zinc/98/69/86/387986986.db2.gz GBDRUZYBSPDLND-GFCCVEGCSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424370985 387996896 /nfs/dbraw/zinc/99/68/96/387996896.db2.gz FLPMIKUPOMHMRF-IRCOFANPSA-N 2 0 211.353 0.796 20 0 BCADRP C[C@@H](NC[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423215325 387997435 /nfs/dbraw/zinc/99/74/35/387997435.db2.gz QJWMBNUWWYDFLR-GRYCIOLGSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H]([NH3+])CC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889365 388004706 /nfs/dbraw/zinc/00/47/06/388004706.db2.gz FVNJKPZCCWHCDQ-SECBINFHSA-N 2 0 245.286 0.943 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000156617159 388008737 /nfs/dbraw/zinc/00/87/37/388008737.db2.gz WEVZKWFKILNGDC-NWDGAFQWSA-N 2 0 241.379 0.912 20 0 BCADRP COc1ccc2c(c1)C[C@H](N[C@@H]1CC[NH2+]C1)CO2 ZINC000423212497 387996057 /nfs/dbraw/zinc/99/60/57/387996057.db2.gz JPKHGPMSTYXHEA-NEPJUHHUSA-N 2 0 248.326 0.950 20 0 BCADRP C[C@H](NC[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423215327 387996567 /nfs/dbraw/zinc/99/65/67/387996567.db2.gz QJWMBNUWWYDFLR-QJPTWQEYSA-N 2 0 211.353 0.716 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1CCC[NH2+]1 ZINC000423230017 388015189 /nfs/dbraw/zinc/01/51/89/388015189.db2.gz CNPRRNLUVMKDRB-TUAOUCFPSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000446369818 388016331 /nfs/dbraw/zinc/01/63/31/388016331.db2.gz OQVMXYUGNLLGJF-DCAQKATOSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(N)=O ZINC000300415508 388016706 /nfs/dbraw/zinc/01/67/06/388016706.db2.gz VNIVRVVQKYSUAU-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCC[NH2+]1 ZINC000423232280 388016785 /nfs/dbraw/zinc/01/67/85/388016785.db2.gz IBIWTWUUVBEEBD-IJLUTSLNSA-N 2 0 211.353 0.716 20 0 BCADRP C(N[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]1 ZINC000423234639 388019230 /nfs/dbraw/zinc/01/92/30/388019230.db2.gz MFNJDYAXWDZQRA-RWMBFGLXSA-N 2 0 239.363 0.095 20 0 BCADRP CCN1C[C@H](C)[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000423251378 388032740 /nfs/dbraw/zinc/03/27/40/388032740.db2.gz RXUDNNPWQSJFCE-YNEHKIRRSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]1CCNC[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423250489 388033476 /nfs/dbraw/zinc/03/34/76/388033476.db2.gz QJIOSZOGKDGSFE-GRYCIOLGSA-N 2 0 211.353 0.574 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424481651 388036869 /nfs/dbraw/zinc/03/68/69/388036869.db2.gz RTPQNDPPDZGEAR-NXEZZACHSA-N 2 0 228.340 0.165 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254772 388037190 /nfs/dbraw/zinc/03/71/90/388037190.db2.gz ZJBAUUPREIVOLS-UTUOFQBUSA-N 2 0 211.353 0.526 20 0 BCADRP CO[C@H](C)[C@@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254890 388037291 /nfs/dbraw/zinc/03/72/91/388037291.db2.gz ZVQDDLJYPGRZGT-GMTAPVOTSA-N 2 0 200.326 0.999 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000424480509 388037376 /nfs/dbraw/zinc/03/73/76/388037376.db2.gz QAMUIXNYLLQOKI-GMTAPVOTSA-N 2 0 240.351 0.308 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H]2CCC[NH2+]2)C1 ZINC000423244459 388027923 /nfs/dbraw/zinc/02/79/23/388027923.db2.gz XNZPYUYKRNKLMG-SDDRHHMPSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423248761 388031244 /nfs/dbraw/zinc/03/12/44/388031244.db2.gz NSOBSFVEBKUXGH-TUAOUCFPSA-N 3 0 211.353 0.716 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)CNC1=[NH+]CCCN1 ZINC000440530127 388052419 /nfs/dbraw/zinc/05/24/19/388052419.db2.gz GUSJAKYXXLOLFP-NSHDSACASA-N 2 0 242.367 0.282 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000423273861 388053257 /nfs/dbraw/zinc/05/32/57/388053257.db2.gz LJHARLDLDJPFJF-ZRUFSTJUSA-N 2 0 200.326 0.997 20 0 BCADRP C[NH2+]C[C@H](C)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423274570 388054663 /nfs/dbraw/zinc/05/46/63/388054663.db2.gz MBOQGGIPACBTMR-SDDRHHMPSA-N 2 0 213.369 0.962 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H](C)C[NH2+]C)C1 ZINC000423277347 388059088 /nfs/dbraw/zinc/05/90/88/388059088.db2.gz PXLXMLBCRWYYSP-SDDRHHMPSA-N 2 0 213.369 0.772 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C2([NH3+])CC2)C1 ZINC000083836042 388063008 /nfs/dbraw/zinc/06/30/08/388063008.db2.gz RTNKLWOMFQOBMV-JTQLQIEISA-N 2 0 225.336 0.420 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000083903357 388065073 /nfs/dbraw/zinc/06/50/73/388065073.db2.gz DNXFMMHENCIWTO-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)C[NH+]1CCC(NC(=O)[C@H](C)[NH3+])CC1 ZINC000083889460 388065816 /nfs/dbraw/zinc/06/58/16/388065816.db2.gz PFQDAVZBYXCPCT-JTQLQIEISA-N 2 0 227.352 0.570 20 0 BCADRP CC[N@H+]1C[C@H](N[C@@H](C[NH3+])C2CC2)[C@@H](C)C1 ZINC000423284884 388069905 /nfs/dbraw/zinc/06/99/05/388069905.db2.gz XIVUBDKXMLUFGW-DLOVCJGASA-N 2 0 211.353 0.654 20 0 BCADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423293837 388075444 /nfs/dbraw/zinc/07/54/44/388075444.db2.gz AVWZBVQWWSKIQY-GHMZBOCLSA-N 2 0 229.368 0.818 20 0 BCADRP C[NH+](C)CC1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000084410319 388077682 /nfs/dbraw/zinc/07/76/82/388077682.db2.gz GTZVAOHNBSBRPZ-UHFFFAOYSA-N 2 0 225.336 0.006 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000085368461 388086527 /nfs/dbraw/zinc/08/65/27/388086527.db2.gz MOBNGBUJBDDESE-IJLUTSLNSA-N 2 0 237.347 0.420 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000085975891 388097321 /nfs/dbraw/zinc/09/73/21/388097321.db2.gz TVRGTDWJLTVNKT-MNOVXSKESA-N 2 0 225.336 0.291 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447914269 388102370 /nfs/dbraw/zinc/10/23/70/388102370.db2.gz OSFHEUMKXGXGKL-UPJWGTAASA-N 2 0 242.363 0.600 20 0 BCADRP CC[N@H+](CCOCCO)CC1CC[NH2+]CC1 ZINC000086703144 388106438 /nfs/dbraw/zinc/10/64/38/388106438.db2.gz ZYDVRDRUTOMXHI-UHFFFAOYSA-N 2 0 230.352 0.317 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCN(CCOC)C1 ZINC000423267082 388045814 /nfs/dbraw/zinc/04/58/14/388045814.db2.gz DUETVWZLYXVYGM-NWDGAFQWSA-N 2 0 229.368 0.152 20 0 BCADRP C[NH2+]C[C@H](C)CN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423271183 388050014 /nfs/dbraw/zinc/05/00/14/388050014.db2.gz IRJGQDYYSFBWSX-GMXVVIOVSA-N 2 0 225.380 0.914 20 0 BCADRP COCC[N@@H+]1CC[C@@H](NC[C@H]([NH3+])C(C)C)C1 ZINC000423271319 388050175 /nfs/dbraw/zinc/05/01/75/388050175.db2.gz IXZQUKPQMSZSPU-NEPJUHHUSA-N 2 0 229.368 0.280 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC1CCC([NH3+])CC1 ZINC000646198736 388162946 /nfs/dbraw/zinc/16/29/46/388162946.db2.gz IWEFINKWURQRQM-NKVNRFPTSA-N 2 0 242.367 0.681 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000646204398 388163360 /nfs/dbraw/zinc/16/33/60/388163360.db2.gz WEQHIKKYEXGSGU-KXUCPTDWSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000646216662 388167262 /nfs/dbraw/zinc/16/72/62/388167262.db2.gz MJLGECRWFAIXHC-LNFKQOIKSA-N 2 0 242.367 0.681 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000449332434 388174119 /nfs/dbraw/zinc/17/41/19/388174119.db2.gz DGVGQMOLYPHVRL-NXEZZACHSA-N 2 0 215.341 0.441 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000449332437 388174604 /nfs/dbraw/zinc/17/46/04/388174604.db2.gz DGVGQMOLYPHVRL-ZJUUUORDSA-N 2 0 215.341 0.441 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000449356531 388180926 /nfs/dbraw/zinc/18/09/26/388180926.db2.gz ADAQDKRELRYNTJ-ADEWGFFLSA-N 2 0 237.347 0.195 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H](C)[NH2+]CCC ZINC000449370974 388184136 /nfs/dbraw/zinc/18/41/36/388184136.db2.gz OWOBHMFDEVYMSB-SNVBAGLBSA-N 2 0 215.341 0.490 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)[N@H+](C)C1CC1 ZINC000645906573 388123454 /nfs/dbraw/zinc/12/34/54/388123454.db2.gz SZUFQVJYMMEFJI-KOLCDFICSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)CCC[NH3+] ZINC000646012834 388124087 /nfs/dbraw/zinc/12/40/87/388124087.db2.gz ZLHKDESBQDQCDE-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)C[NH3+] ZINC000646012030 388124190 /nfs/dbraw/zinc/12/41/90/388124190.db2.gz DWWTVHCCYSAQQK-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](C)C[NH2+]C ZINC000646012184 388124248 /nfs/dbraw/zinc/12/42/48/388124248.db2.gz HWOUBTCSVUVGDH-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H](C)[NH+](C)C ZINC000454644931 388127411 /nfs/dbraw/zinc/12/74/11/388127411.db2.gz OTHZPEJWLSNBMF-QWRGUYRKSA-N 2 0 244.383 0.576 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000646050464 388133211 /nfs/dbraw/zinc/13/32/11/388133211.db2.gz GELFEZSPJHNGSV-SECBINFHSA-N 2 0 227.352 0.489 20 0 BCADRP C[C@H](NC(=O)COCC[NH3+])C(C)(C)C[NH+](C)C ZINC000646074542 388137620 /nfs/dbraw/zinc/13/76/20/388137620.db2.gz BVSOTJFCMFCJFR-JTQLQIEISA-N 2 0 245.367 0.054 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000449071887 388139214 /nfs/dbraw/zinc/13/92/14/388139214.db2.gz IWNVROSXCADLHZ-QWRGUYRKSA-N 2 0 241.379 0.879 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC[NH+](CC)CC ZINC000449080436 388139939 /nfs/dbraw/zinc/13/99/39/388139939.db2.gz WEFGCFNBFBJBDD-NSHDSACASA-N 2 0 229.368 0.833 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449079394 388140030 /nfs/dbraw/zinc/14/00/30/388140030.db2.gz YOBXJKQGDFXSCJ-GHMZBOCLSA-N 2 0 227.352 0.620 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N[C@H]1CC[NH2+]C1 ZINC000449081019 388140290 /nfs/dbraw/zinc/14/02/90/388140290.db2.gz BATJFGJRKNMVRB-OUAUKWLOSA-N 2 0 225.336 0.372 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000449084951 388140509 /nfs/dbraw/zinc/14/05/09/388140509.db2.gz JVJXRUYAHGMAPT-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[NH2+]C[C@H]1C ZINC000449087198 388140802 /nfs/dbraw/zinc/14/08/02/388140802.db2.gz UWUNMEDNKMICIF-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000449098790 388141877 /nfs/dbraw/zinc/14/18/77/388141877.db2.gz KYELVDVFYVSVNJ-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP CCCN(C(=O)[C@H](C)[NH2+]C1CC1)[C@H]1CC[NH2+]C1 ZINC000449105721 388142930 /nfs/dbraw/zinc/14/29/30/388142930.db2.gz FFEVMAFBZGNBGM-JQWIXIFHSA-N 2 0 239.363 0.727 20 0 BCADRP CCCN(C(=O)[C@@H](C)[NH2+]C1CC1)[C@H]1CC[NH2+]C1 ZINC000449105722 388143070 /nfs/dbraw/zinc/14/30/70/388143070.db2.gz FFEVMAFBZGNBGM-PWSUYJOCSA-N 2 0 239.363 0.727 20 0 BCADRP CO[C@H](C)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105758 388143538 /nfs/dbraw/zinc/14/35/38/388143538.db2.gz GVQKDSWKCXWIIC-GFCCVEGCSA-N 2 0 242.363 0.818 20 0 BCADRP C[C@@H](O)CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105846 388143839 /nfs/dbraw/zinc/14/38/39/388143839.db2.gz JRBZUKNBDPZHMS-GFCCVEGCSA-N 2 0 242.363 0.554 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H](C)[NH2+]C1CC1)C(C)C ZINC000449112408 388144289 /nfs/dbraw/zinc/14/42/89/388144289.db2.gz CENFHDTYMZUVOB-LLVKDONJSA-N 2 0 241.379 0.973 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000449115280 388144498 /nfs/dbraw/zinc/14/44/98/388144498.db2.gz LFDRENIBGNSRDC-BXKDBHETSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000449117452 388144689 /nfs/dbraw/zinc/14/46/89/388144689.db2.gz UPHDAANRDIVGGQ-AEJSXWLSSA-N 2 0 225.336 0.336 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000449119335 388145390 /nfs/dbraw/zinc/14/53/90/388145390.db2.gz YDJRYGGQAAAVLX-ONGXEEELSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000449117477 388145425 /nfs/dbraw/zinc/14/54/25/388145425.db2.gz UQXAMNOGCIPKKW-VPOLOUISSA-N 2 0 225.336 0.051 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000449118039 388145762 /nfs/dbraw/zinc/14/57/62/388145762.db2.gz WHMNNSPKPFWDSA-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000449126019 388146484 /nfs/dbraw/zinc/14/64/84/388146484.db2.gz UGUHGLNARXTCRO-KXNHARMFSA-N 2 0 239.363 0.476 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000449132686 388147148 /nfs/dbraw/zinc/14/71/48/388147148.db2.gz VPUMIURQJICNOY-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449131694 388147162 /nfs/dbraw/zinc/14/71/62/388147162.db2.gz OWVGBPDKDWTOFG-NXEZZACHSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1([NH3+])CCC1 ZINC000449137085 388147738 /nfs/dbraw/zinc/14/77/38/388147738.db2.gz DJKLSKXXZBLHAD-JTQLQIEISA-N 2 0 227.352 0.700 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000449143634 388148157 /nfs/dbraw/zinc/14/81/57/388148157.db2.gz WZQLOQDZSYWJPS-VIFPVBQESA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449145833 388148300 /nfs/dbraw/zinc/14/83/00/388148300.db2.gz MIOVLSGITQXQTN-MWLCHTKSSA-N 2 0 225.336 0.337 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000449144658 388148507 /nfs/dbraw/zinc/14/85/07/388148507.db2.gz JKGXHGQVEGMYFK-MNOVXSKESA-N 2 0 229.368 0.831 20 0 BCADRP C[C@@H]1CC[C@@H](CN2CCO[C@H](C[NH3+])C2)O1 ZINC000165601424 388252721 /nfs/dbraw/zinc/25/27/21/388252721.db2.gz UDSAEVBOUQQJPH-OUAUKWLOSA-N 2 0 214.309 0.213 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449382514 388189677 /nfs/dbraw/zinc/18/96/77/388189677.db2.gz XIBQFABKDBTMDS-IJLUTSLNSA-N 2 0 239.363 0.442 20 0 BCADRP OCCCN1CCC[C@H]1C[NH2+][C@@H]1CCSC1 ZINC000449388030 388190416 /nfs/dbraw/zinc/19/04/16/388190416.db2.gz NTWSGXJQVGYUGX-NEPJUHHUSA-N 2 0 244.404 0.928 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[N@H+](C)CC1 ZINC000449397501 388194222 /nfs/dbraw/zinc/19/42/22/388194222.db2.gz VJVRHOTYINZERA-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP C[C@H](CCCO)C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000449408313 388197232 /nfs/dbraw/zinc/19/72/32/388197232.db2.gz NKALJLWBXNVWFO-UTUOFQBUSA-N 2 0 214.353 0.935 20 0 BCADRP C[C@H]1CN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC000449484760 388215873 /nfs/dbraw/zinc/21/58/73/388215873.db2.gz NMQTXXKOVSISCG-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000646318027 388216027 /nfs/dbraw/zinc/21/60/27/388216027.db2.gz BTKOCWOKEKCPOW-GFCCVEGCSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H]1CN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000449484762 388216194 /nfs/dbraw/zinc/21/61/94/388216194.db2.gz NMQTXXKOVSISCG-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000449490511 388217944 /nfs/dbraw/zinc/21/79/44/388217944.db2.gz CFJGVFYPENGYGB-CHWFTXMASA-N 2 0 225.336 0.051 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H](C)[NH2+]CC ZINC000449502832 388220214 /nfs/dbraw/zinc/22/02/14/388220214.db2.gz RYOSPRJKIVODAX-NXEZZACHSA-N 2 0 215.341 0.489 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000489519759 388220751 /nfs/dbraw/zinc/22/07/51/388220751.db2.gz YDIPJENQJNEMSG-JTQLQIEISA-N 2 0 227.352 0.892 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccc(C[NH3+])o2)CC[NH2+]1 ZINC000646320336 388221382 /nfs/dbraw/zinc/22/13/82/388221382.db2.gz ASUSZLLLVPIXNM-MRVPVSSYSA-N 2 0 223.276 0.172 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000646327571 388230148 /nfs/dbraw/zinc/23/01/48/388230148.db2.gz HIGTUOACXDCYGG-NWDGAFQWSA-N 2 0 239.363 0.442 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCNC[C@@](C)(F)C1 ZINC000449578128 388236642 /nfs/dbraw/zinc/23/66/42/388236642.db2.gz ZKOGKFQQHMTWBQ-GFCCVEGCSA-N 2 0 245.342 0.488 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)[C@H](C)[NH3+] ZINC000449590646 388239048 /nfs/dbraw/zinc/23/90/48/388239048.db2.gz LLWSIJAEYKDTMH-CWSCBRNRSA-N 2 0 247.342 0.553 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000449598241 388239712 /nfs/dbraw/zinc/23/97/12/388239712.db2.gz BIKLZXSOGXCNEX-QFOLPQNPSA-N 2 0 227.352 0.746 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000449601661 388239929 /nfs/dbraw/zinc/23/99/29/388239929.db2.gz NLJQDWGEWRVFDZ-OUJBWJOFSA-N 2 0 235.331 0.712 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000449599264 388240236 /nfs/dbraw/zinc/24/02/36/388240236.db2.gz FZYSYWOJDATGCA-ATZCPNFKSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)CN(C)Cc1ccccc1 ZINC000449606303 388240819 /nfs/dbraw/zinc/24/08/19/388240819.db2.gz YHTIIGJIMANKBC-NEPJUHHUSA-N 2 0 249.358 0.970 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]([NH3+])CC ZINC000449608775 388241709 /nfs/dbraw/zinc/24/17/09/388241709.db2.gz JZWRCISVLAJLCH-BDAKNGLRSA-N 2 0 201.314 0.228 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])CC ZINC000449608492 388241822 /nfs/dbraw/zinc/24/18/22/388241822.db2.gz IBYGKBPGVGWQJF-DTWKUNHWSA-N 2 0 201.314 0.357 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000449609857 388242632 /nfs/dbraw/zinc/24/26/32/388242632.db2.gz OSEPHMNTWWJEMY-HOSYDEDBSA-N 2 0 227.352 0.748 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449645160 388247895 /nfs/dbraw/zinc/24/78/95/388247895.db2.gz LGJPCIGXFIDRPZ-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH+](C)C/C=C/C(=O)NCCC[NH+]1CCCC1 ZINC000491842929 388324538 /nfs/dbraw/zinc/32/45/38/388324538.db2.gz HFOJXYKZHZOXKH-FNORWQNLSA-N 2 0 239.363 0.706 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)/C=C/C[NH+](C)C ZINC000491845190 388324625 /nfs/dbraw/zinc/32/46/25/388324625.db2.gz JSCWWACGTAQLHE-IDVQTMNDSA-N 2 0 241.379 0.951 20 0 BCADRP CC[N@H+](CCNC(=O)/C=C/C[NH+](C)C)C1CC1 ZINC000491854571 388324916 /nfs/dbraw/zinc/32/49/16/388324916.db2.gz YHDLYSWZNXAJSL-AATRIKPKSA-N 2 0 239.363 0.705 20 0 BCADRP CC[NH+]1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000491863395 388325221 /nfs/dbraw/zinc/32/52/21/388325221.db2.gz DWXQCVOJHFWWGS-WAYWQWQTSA-N 2 0 225.336 0.268 20 0 BCADRP C[C@@H]1C[N@H+](C)CCN1C(=O)/C=C\C[NH+](C)C ZINC000491869763 388325576 /nfs/dbraw/zinc/32/55/76/388325576.db2.gz NMXVTISRUGEUNA-ISALQUGTSA-N 2 0 225.336 0.267 20 0 BCADRP C[NH+](C)C/C=C/C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000491869756 388325625 /nfs/dbraw/zinc/32/56/25/388325625.db2.gz NLIDYCWPODPNJP-HOSRBBHYSA-N 2 0 239.363 0.562 20 0 BCADRP C[C@@H]1CN(C(=O)/C=C/C[NH+](C)C)C[C@H]1[NH+](C)C ZINC000491901811 388326980 /nfs/dbraw/zinc/32/69/80/388326980.db2.gz CHLPSBXIRHPMDK-BYAJROORSA-N 2 0 239.363 0.513 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)/C=C/C[NH+](C)C)C1 ZINC000491913632 388327667 /nfs/dbraw/zinc/32/76/67/388327667.db2.gz LSIKQQIYEQHZTB-ZYOFXKKJSA-N 2 0 239.363 0.562 20 0 BCADRP C[C@]1(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC[NH2+]C1 ZINC000646336151 388261778 /nfs/dbraw/zinc/26/17/78/388261778.db2.gz JPMDJWYHGVYCSE-WZRBSPASSA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CCC1 ZINC000646336337 388262477 /nfs/dbraw/zinc/26/24/77/388262477.db2.gz OQNDGNMOQSHNOT-QWRGUYRKSA-N 2 0 237.347 0.468 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953451 388269153 /nfs/dbraw/zinc/26/91/53/388269153.db2.gz UPTXHVOSRLVBEX-JQWIXIFHSA-N 2 0 239.363 0.442 20 0 BCADRP [NH3+]CCCCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953311 388269299 /nfs/dbraw/zinc/26/92/99/388269299.db2.gz OZUTXLCISRWAKB-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953450 388269613 /nfs/dbraw/zinc/26/96/13/388269613.db2.gz UPTXHVOSRLVBEX-CMPLNLGQSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953259 388269693 /nfs/dbraw/zinc/26/96/93/388269693.db2.gz LTUOUDKUWWOSLC-MNOVXSKESA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953300 388269740 /nfs/dbraw/zinc/26/97/40/388269740.db2.gz ONGZMFVVHITJGL-SNVBAGLBSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]CCCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953358 388269757 /nfs/dbraw/zinc/26/97/57/388269757.db2.gz QRWNDGBHGDNRBI-LLVKDONJSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646338185 388270609 /nfs/dbraw/zinc/27/06/09/388270609.db2.gz DNLFOFHLCAADCX-DDHJBXDOSA-N 2 0 237.347 0.052 20 0 BCADRP [NH3+][C@H](C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)C1CCC1 ZINC000646338360 388271589 /nfs/dbraw/zinc/27/15/89/388271589.db2.gz JYWLYSDCTGUFLT-JLLWLGSASA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000646664042 388407098 /nfs/dbraw/zinc/40/70/98/388407098.db2.gz KGTVQHAQJCDOKB-WHOHXGKFSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000646372066 388346904 /nfs/dbraw/zinc/34/69/04/388346904.db2.gz GGURPXCKZGHLGG-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCC1 ZINC000646369552 388346912 /nfs/dbraw/zinc/34/69/12/388346912.db2.gz VNUMSAHGRBSDQZ-GHMZBOCLSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646373753 388347005 /nfs/dbraw/zinc/34/70/05/388347005.db2.gz ZUQGNOOTLZFFIB-QJPTWQEYSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCC1 ZINC000646369553 388347024 /nfs/dbraw/zinc/34/70/24/388347024.db2.gz VNUMSAHGRBSDQZ-MNOVXSKESA-N 2 0 237.347 0.468 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646385112 388348709 /nfs/dbraw/zinc/34/87/09/388348709.db2.gz XISMRJJOINDUHU-NWDGAFQWSA-N 2 0 239.363 0.444 20 0 BCADRP Cc1cc(NC(=O)[C@@H]2[NH2+]CC2(C)C)ccn1 ZINC000646394880 388350105 /nfs/dbraw/zinc/35/01/05/388350105.db2.gz ZLOJDIYRKPAJDX-JTQLQIEISA-N 2 0 219.288 0.748 20 0 BCADRP C[C@@H](CNC(=O)CC1(C[NH3+])CC1)[NH+]1CCCC1 ZINC000646408451 388351921 /nfs/dbraw/zinc/35/19/21/388351921.db2.gz QOKWAKOYYCMQGY-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)C1CC1 ZINC000646424368 388355905 /nfs/dbraw/zinc/35/59/05/388355905.db2.gz XVFZNPVTZRDBRH-GHMZBOCLSA-N 2 0 239.363 0.441 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000646427825 388357267 /nfs/dbraw/zinc/35/72/67/388357267.db2.gz TZNFBRWVGWAPRW-GHMZBOCLSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(C[NH3+])o1 ZINC000646657675 388405043 /nfs/dbraw/zinc/40/50/43/388405043.db2.gz MATUJABJBZTMMX-MRVPVSSYSA-N 2 0 223.276 0.172 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000572760460 388372103 /nfs/dbraw/zinc/37/21/03/388372103.db2.gz QKZSFYQUCFRXHX-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000572760818 388374112 /nfs/dbraw/zinc/37/41/12/388374112.db2.gz CUTIOVWVTWRASV-OPRDCNLKSA-N 2 0 213.325 0.228 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000646523231 388374984 /nfs/dbraw/zinc/37/49/84/388374984.db2.gz SLTRHMNBSIKPKE-LLVKDONJSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)[NH2+]CC(=O)NC(C)(C)CC[NH3+] ZINC000572782218 388375138 /nfs/dbraw/zinc/37/51/38/388375138.db2.gz OFUJCZAEBGWZGX-UHFFFAOYSA-N 2 0 201.314 0.228 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000646533894 388377218 /nfs/dbraw/zinc/37/72/18/388377218.db2.gz OZYWQBKVGGAZEZ-ZYHUDNBSSA-N 2 0 239.363 0.524 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000646533893 388377247 /nfs/dbraw/zinc/37/72/47/388377247.db2.gz OZYWQBKVGGAZEZ-PWSUYJOCSA-N 2 0 239.363 0.524 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCOCC(F)F ZINC000236162611 388378276 /nfs/dbraw/zinc/37/82/76/388378276.db2.gz VPVUMRCDPGSVQE-RKDXNWHRSA-N 2 0 222.279 0.985 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000165565513 388405817 /nfs/dbraw/zinc/40/58/17/388405817.db2.gz SSVSZBYMZKXFFF-BDAKNGLRSA-N 2 0 201.314 0.038 20 0 BCADRP CC(C)([NH3+])CNC(=O)CC1CC[NH2+]CC1 ZINC000236595918 388380704 /nfs/dbraw/zinc/38/07/04/388380704.db2.gz YMFGPUALMMKOLB-UHFFFAOYSA-N 2 0 213.325 0.230 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236734097 388382490 /nfs/dbraw/zinc/38/24/90/388382490.db2.gz GEMXMSIMORSQGY-NXEZZACHSA-N 2 0 213.325 0.228 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC)C1 ZINC000236762471 388382765 /nfs/dbraw/zinc/38/27/65/388382765.db2.gz LXDIVPNLXRVOGA-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000519771708 256659604 /nfs/dbraw/zinc/65/96/04/256659604.db2.gz MUDXMNPNBQCROI-ACZMJKKPSA-N 2 0 223.267 0.068 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@]1(C)CC[NH2+]C1)C(C)C ZINC000236862785 388384449 /nfs/dbraw/zinc/38/44/49/388384449.db2.gz JVQQDEMXTDNDGT-ZDUSSCGKSA-N 2 0 241.379 0.833 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000236845915 388384676 /nfs/dbraw/zinc/38/46/76/388384676.db2.gz XRBOAJYJXUNWQZ-JQWIXIFHSA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000646578676 388387683 /nfs/dbraw/zinc/38/76/83/388387683.db2.gz ASVMFSVRWXFZDR-SECBINFHSA-N 2 0 221.304 0.939 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)CC1CC[NH2+]CC1 ZINC000237102279 388389946 /nfs/dbraw/zinc/38/99/46/388389946.db2.gz GNNWGYDCUURECC-JTQLQIEISA-N 2 0 227.352 0.348 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000237152185 388390721 /nfs/dbraw/zinc/39/07/21/388390721.db2.gz KJJXOZXQTQCWFN-WDEREUQCSA-N 2 0 239.363 0.348 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237141461 388391128 /nfs/dbraw/zinc/39/11/28/388391128.db2.gz LDIDKLGJASPCAA-HBNTYKKESA-N 2 0 227.352 0.476 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@H]2CCC[NH2+]C2)o1 ZINC000646610048 388394473 /nfs/dbraw/zinc/39/44/73/388394473.db2.gz HNIPHGQHBYMLBB-QMMMGPOBSA-N 2 0 223.276 0.220 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)NCC1CC[NH2+]CC1 ZINC000646613382 388395763 /nfs/dbraw/zinc/39/57/63/388395763.db2.gz YVYQBBLEABEYCM-LBPRGKRZSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)CC1CC[NH2+]CC1 ZINC000237596314 388396080 /nfs/dbraw/zinc/39/60/80/388396080.db2.gz SPWMSDIZFPXOBZ-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000237473173 388396194 /nfs/dbraw/zinc/39/61/94/388396194.db2.gz VTBDKBMVOKAFRD-OPRDCNLKSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237548956 388396497 /nfs/dbraw/zinc/39/64/97/388396497.db2.gz SSYWLDISWINQSO-MFKMUULPSA-N 2 0 247.342 0.412 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)CCC[NH3+] ZINC000572975695 388399644 /nfs/dbraw/zinc/39/96/44/388399644.db2.gz YKYRZNGEARXPSW-NSHDSACASA-N 2 0 244.383 0.707 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000646649446 388401909 /nfs/dbraw/zinc/40/19/09/388401909.db2.gz GCBUKYMCMOQTFM-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000393747173 388439906 /nfs/dbraw/zinc/43/99/06/388439906.db2.gz NQAIQJLIXXSUCK-OPRDCNLKSA-N 2 0 213.325 0.086 20 0 BCADRP C[NH2+]C1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000646732502 388440185 /nfs/dbraw/zinc/44/01/85/388440185.db2.gz KUGUPHCJAQTSNJ-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@@H](NC(=O)[C@H](C)[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000649270236 388480343 /nfs/dbraw/zinc/48/03/43/388480343.db2.gz KPCSAAQVPYWGFM-VWYCJHECSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH3+])CC[NH2+]1 ZINC000378662610 388480527 /nfs/dbraw/zinc/48/05/27/388480527.db2.gz COHLMNBYEKQHOS-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[C@@H](C)[NH3+] ZINC000515058896 256731861 /nfs/dbraw/zinc/73/18/61/256731861.db2.gz HEUIBHUNQRZUAS-QCNOEVLYSA-N 2 0 241.379 0.720 20 0 BCADRP C[NH+](C)CC(C)(C)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000308638678 388446158 /nfs/dbraw/zinc/44/61/58/388446158.db2.gz WSTPRHIBHHNVJM-LBPRGKRZSA-N 2 0 243.395 0.371 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H](C)[NH2+]1 ZINC000646737056 388447918 /nfs/dbraw/zinc/44/79/18/388447918.db2.gz QFAWNLRXBZOYSJ-GRYCIOLGSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)[C@H](CO)C[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000394098117 388450773 /nfs/dbraw/zinc/45/07/73/388450773.db2.gz SARJPVALYLRHLH-FRRDWIJNSA-N 2 0 244.379 0.608 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)C2(C)C[NH2+]C2)CC1 ZINC000335530103 388451470 /nfs/dbraw/zinc/45/14/70/388451470.db2.gz DXFMWOAAOOKEAO-UHFFFAOYSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[NH+](CCO)CCC[N@@H+](CCO)C(C)C ZINC000176364838 388452143 /nfs/dbraw/zinc/45/21/43/388452143.db2.gz MGXJRLXLKUFCOQ-UHFFFAOYSA-N 2 0 246.395 0.782 20 0 BCADRP CC(C)([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000335797866 388454077 /nfs/dbraw/zinc/45/40/77/388454077.db2.gz ZLPRDRWEZJMQTF-NSHDSACASA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H]([NH3+])CNC(=O)CCC1CC[NH2+]CC1 ZINC000194928043 388455975 /nfs/dbraw/zinc/45/59/75/388455975.db2.gz WMLOTBOUVHXEMY-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000336268325 388456206 /nfs/dbraw/zinc/45/62/06/388456206.db2.gz UUDYIBVLHHKFPR-NWDGAFQWSA-N 2 0 211.353 0.657 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000626978485 388457493 /nfs/dbraw/zinc/45/74/93/388457493.db2.gz FPMPLMXBRVOLFI-JTQLQIEISA-N 2 0 240.351 0.213 20 0 BCADRP CC[NH+](CC)CC(=O)NCCC[NH+](C)C ZINC000073754526 388460902 /nfs/dbraw/zinc/46/09/02/388460902.db2.gz INAFHEMHTYLUQN-UHFFFAOYSA-N 2 0 215.341 0.396 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)CC[NH+](C)C ZINC000176804829 388462477 /nfs/dbraw/zinc/46/24/77/388462477.db2.gz FTEZHZGLOKXCME-UHFFFAOYSA-N 2 0 215.341 0.348 20 0 BCADRP C[C@@H](CCC[NH3+])[NH2+]CC(C)(C)N1CCOCC1 ZINC000336731447 388471549 /nfs/dbraw/zinc/47/15/49/388471549.db2.gz YVKSEQUDPFHGHM-LBPRGKRZSA-N 2 0 243.395 0.814 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000646664747 388407209 /nfs/dbraw/zinc/40/72/09/388407209.db2.gz YFWSYMKTVBYFMX-GVAFYICXSA-N 2 0 237.347 0.372 20 0 BCADRP C[C@H](NC(=O)CC1([NH3+])CCC1)[C@@H]1CCC[NH2+]C1 ZINC000646664081 388407239 /nfs/dbraw/zinc/40/72/39/388407239.db2.gz PIJMYJWGKWBLMK-WDEREUQCSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@H](C[NH3+])C1)[C@@H](C)[NH3+] ZINC000646670047 388410156 /nfs/dbraw/zinc/41/01/56/388410156.db2.gz WLUWDQKIBSCKKH-MXWKQRLJSA-N 2 0 227.352 0.413 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000646669969 388410158 /nfs/dbraw/zinc/41/01/58/388410158.db2.gz KNZKPAFIDUGRMI-DCAQKATOSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000646672701 388411613 /nfs/dbraw/zinc/41/16/13/388411613.db2.gz CTIYHUHISIGPKH-VIFPVBQESA-N 2 0 237.303 0.562 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000646672114 388411637 /nfs/dbraw/zinc/41/16/37/388411637.db2.gz YWQZRGUWSZVUNX-SNVBAGLBSA-N 2 0 225.336 0.313 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000646671998 388411684 /nfs/dbraw/zinc/41/16/84/388411684.db2.gz PQVZMJCQSHFWQP-MNOVXSKESA-N 2 0 241.379 0.818 20 0 BCADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)CC(N)=O ZINC000165963710 388413098 /nfs/dbraw/zinc/41/30/98/388413098.db2.gz CXKPFEIBFKBMKX-WDEREUQCSA-N 2 0 245.367 0.197 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000646689360 388417529 /nfs/dbraw/zinc/41/75/29/388417529.db2.gz PHTVMWDMGFNCEN-SNVBAGLBSA-N 2 0 227.352 0.489 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)NCC[C@H]1CC[NH2+]C1 ZINC000646700940 388419826 /nfs/dbraw/zinc/41/98/26/388419826.db2.gz TYCBZYDVZKZVMV-NEPJUHHUSA-N 2 0 239.363 0.634 20 0 BCADRP [NH3+]Cc1cc(C(=O)NCC[C@H]2CC[NH2+]C2)co1 ZINC000646699025 388420086 /nfs/dbraw/zinc/42/00/86/388420086.db2.gz PSMNHJWYRZCJFC-SECBINFHSA-N 2 0 237.303 0.468 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000646699040 388420225 /nfs/dbraw/zinc/42/02/25/388420225.db2.gz WVYYVNOAHWQMPZ-UWVGGRQHSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000573121498 388422022 /nfs/dbraw/zinc/42/20/22/388422022.db2.gz FYNXSOZNDSTJRC-RWMBFGLXSA-N 2 0 242.363 0.851 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000646713384 388426446 /nfs/dbraw/zinc/42/64/46/388426446.db2.gz IYSWHRLAESJPNR-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CC1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000646718345 388430870 /nfs/dbraw/zinc/43/08/70/388430870.db2.gz PKFSRLDMSUAJEM-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000516462576 256777738 /nfs/dbraw/zinc/77/77/38/256777738.db2.gz BOKTYZPQWJHNBP-WDEREUQCSA-N 2 0 227.352 0.252 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]C2CCC(O)CC2)CC1 ZINC000353531617 388541932 /nfs/dbraw/zinc/54/19/32/388541932.db2.gz VSKXJWGEJLNPMP-UHFFFAOYSA-N 2 0 242.363 0.336 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000649272172 388483564 /nfs/dbraw/zinc/48/35/64/388483564.db2.gz SJRKMVAXLQDIMW-VIFPVBQESA-N 2 0 213.325 0.147 20 0 BCADRP CC[C@@H](C(=O)N(C)CCC[NH3+])[NH+](CC)CC ZINC000649273053 388483779 /nfs/dbraw/zinc/48/37/79/388483779.db2.gz BSRUDBZKICTMMB-NSHDSACASA-N 2 0 229.368 0.914 20 0 BCADRP CC[C@H](C(=O)N(C)CCC[NH3+])[NH+](CC)CC ZINC000649273052 388484046 /nfs/dbraw/zinc/48/40/46/388484046.db2.gz BSRUDBZKICTMMB-LLVKDONJSA-N 2 0 229.368 0.914 20 0 BCADRP C[C@H]1CN(C(=O)CC2([NH3+])CCC2)CC[C@H]1[NH3+] ZINC000646762960 388487070 /nfs/dbraw/zinc/48/70/70/388487070.db2.gz MNBJQZLDYMHCDR-VHSXEESVSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000340122786 388487547 /nfs/dbraw/zinc/48/75/47/388487547.db2.gz MTBYQMXTIJUYSW-GRYCIOLGSA-N 2 0 241.379 0.960 20 0 BCADRP COC(C)(C)[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000340251458 388488889 /nfs/dbraw/zinc/48/88/89/388488889.db2.gz QRLBYJXKBWWKEF-LLVKDONJSA-N 2 0 244.379 0.846 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000646769928 388493550 /nfs/dbraw/zinc/49/35/50/388493550.db2.gz LHTRWHPMBCRHIW-DCAQKATOSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(C[NH3+])o1 ZINC000646777266 388497918 /nfs/dbraw/zinc/49/79/18/388497918.db2.gz OICNHCXFOQWFIP-VIFPVBQESA-N 2 0 225.292 0.451 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000378767519 388501615 /nfs/dbraw/zinc/50/16/15/388501615.db2.gz DLMZSNPXKALLDS-UWVGGRQHSA-N 2 0 213.325 0.100 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000516928049 256807451 /nfs/dbraw/zinc/80/74/51/256807451.db2.gz DELMKURPCDPDAO-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]C1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000516969029 256808753 /nfs/dbraw/zinc/80/87/53/256808753.db2.gz GZWFGNFXIUQVGD-KOLCDFICSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000516868145 388520266 /nfs/dbraw/zinc/52/02/66/388520266.db2.gz UGPGFXZIKBXYCU-WOPDTQHZSA-N 3 0 211.353 0.655 20 0 BCADRP C[NH2+]CCC1CC[NH+](Cc2cnnn2C)CC1 ZINC000346669814 388520461 /nfs/dbraw/zinc/52/04/61/388520461.db2.gz IYONAAGAZOOHSW-UHFFFAOYSA-N 2 0 237.351 0.637 20 0 BCADRP O=C(NCCC[NH+]1CCCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649281507 388521350 /nfs/dbraw/zinc/52/13/50/388521350.db2.gz OVBPNVFOAAUGBN-GDNZZTSVSA-N 2 0 237.347 0.054 20 0 BCADRP CO[C@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@@H](CN)C1 ZINC000516867503 388522007 /nfs/dbraw/zinc/52/20/07/388522007.db2.gz ZZDWMSVKYNLPGV-OLZOCXBDSA-N 2 0 241.379 0.424 20 0 BCADRP [NH3+]C1(C[NH2+]CCOC[C@H]2CCCO2)CCC1 ZINC000516867917 388522832 /nfs/dbraw/zinc/52/28/32/388522832.db2.gz YVGQGIVWNIKYHZ-LLVKDONJSA-N 2 0 228.336 0.653 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC(C)(C)C[NH+](C)C ZINC000516925950 388524821 /nfs/dbraw/zinc/52/48/21/388524821.db2.gz PEJNQHDSPLJBDE-NXEZZACHSA-N 2 0 244.383 0.752 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NC(C)(C)C[NH+](C)C ZINC000516925953 388525259 /nfs/dbraw/zinc/52/52/59/388525259.db2.gz PEJNQHDSPLJBDE-ZJUUUORDSA-N 2 0 244.383 0.752 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCOCC2)CC1 ZINC000356676886 388550036 /nfs/dbraw/zinc/55/00/36/388550036.db2.gz DCAPUJSECTVENH-LBPRGKRZSA-N 2 0 242.363 0.602 20 0 BCADRP C[NH2+]CCC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000516969283 388528472 /nfs/dbraw/zinc/52/84/72/388528472.db2.gz VXBBUBDQIMYCTP-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)C[C@H](C)n1ccnc1 ZINC000516977487 388529664 /nfs/dbraw/zinc/52/96/64/388529664.db2.gz FENRCYHZJLWCAT-UWVGGRQHSA-N 2 0 224.308 0.688 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)c1ccc(C[NH3+])cc1 ZINC000517028086 388533348 /nfs/dbraw/zinc/53/33/48/388533348.db2.gz IQHXRMGDDVQNSM-SECBINFHSA-N 2 0 221.304 0.470 20 0 BCADRP CC[C@@H]1CCN1C[C@@H](O)C[N@H+](C)CC ZINC000517038587 388534364 /nfs/dbraw/zinc/53/43/64/388534364.db2.gz HPSVWOBEYATKGR-MNOVXSKESA-N 2 0 200.326 0.783 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)[NH+](C)C ZINC000649306076 388590801 /nfs/dbraw/zinc/59/08/01/388590801.db2.gz YTKKHKVKNUXPHT-IUCAKERBSA-N 2 0 249.305 0.298 20 0 BCADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649308228 388594952 /nfs/dbraw/zinc/59/49/52/388594952.db2.gz VNUAOXWSGRCXIB-DMWPJOQESA-N 2 0 235.331 0.090 20 0 BCADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCOC1 ZINC000186588669 388601573 /nfs/dbraw/zinc/60/15/73/388601573.db2.gz NTWHMZAGAZQIMV-STQMWFEESA-N 2 0 241.379 0.391 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186732191 388602160 /nfs/dbraw/zinc/60/21/60/388602160.db2.gz UZPRXKIYMSHOOE-UHFFFAOYSA-N 2 0 241.379 0.881 20 0 BCADRP C[C@@H](O)C(C)(C)[NH2+]CC1CC[NH2+]CC1 ZINC000220390780 388604439 /nfs/dbraw/zinc/60/44/39/388604439.db2.gz DSMFZHKMQKZTHE-SECBINFHSA-N 2 0 200.326 0.735 20 0 BCADRP Cc1noc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000358021496 388553518 /nfs/dbraw/zinc/55/35/18/388553518.db2.gz HPKRINVWULLNNM-MWLCHTKSSA-N 2 0 238.335 0.850 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC1CC[NH2+]CC1 ZINC000517563108 388553601 /nfs/dbraw/zinc/55/36/01/388553601.db2.gz IBGHSEVGKOVYRA-SECBINFHSA-N 2 0 213.325 0.243 20 0 BCADRP CC(C)C(=O)NCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000358125727 388553752 /nfs/dbraw/zinc/55/37/52/388553752.db2.gz IOAAQHIFLBBEKF-VXGBXAGGSA-N 2 0 241.379 0.688 20 0 BCADRP C[C@@H]([NH3+])CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000364174773 388563898 /nfs/dbraw/zinc/56/38/98/388563898.db2.gz XGMTYGDRIOTOOV-NXEZZACHSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000364174775 388563904 /nfs/dbraw/zinc/56/39/04/388563904.db2.gz XGMTYGDRIOTOOV-VHSXEESVSA-N 2 0 213.325 0.372 20 0 BCADRP COC(=O)[C@H](C)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368312484 388568275 /nfs/dbraw/zinc/56/82/75/388568275.db2.gz MXBJRGRSMFBBRP-DGCLKSJQSA-N 2 0 240.347 0.823 20 0 BCADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+](CC2CC2)CC1 ZINC000649299401 388577797 /nfs/dbraw/zinc/57/77/97/388577797.db2.gz QMCRPAWZFJZKSS-ITGUQSILSA-N 2 0 249.358 0.006 20 0 BCADRP NC(=O)c1c[nH+]ccc1NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000521987704 388672460 /nfs/dbraw/zinc/67/24/60/388672460.db2.gz ITTAXQKIZRUBKK-NXEZZACHSA-N 2 0 248.330 0.532 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000521999188 388673711 /nfs/dbraw/zinc/67/37/11/388673711.db2.gz KVHPEEGWCGQHIE-RKDXNWHRSA-N 2 0 216.329 0.021 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000192127349 388674949 /nfs/dbraw/zinc/67/49/49/388674949.db2.gz XGQBVEVXEHUIEL-VXGBXAGGSA-N 2 0 249.358 0.957 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000192127354 388675034 /nfs/dbraw/zinc/67/50/34/388675034.db2.gz XGQBVEVXEHUIEL-RYUDHWBXSA-N 2 0 249.358 0.957 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2)CCN1C ZINC000248201746 388675205 /nfs/dbraw/zinc/67/52/05/388675205.db2.gz YXYPRBJFDSXKAH-WOPDTQHZSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000621702381 388677658 /nfs/dbraw/zinc/67/76/58/388677658.db2.gz UBDKOJACUMXIHD-GDPRMGEGSA-N 2 0 225.336 0.371 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CC(C)(COC)C1 ZINC000521643404 388622063 /nfs/dbraw/zinc/62/20/63/388622063.db2.gz DWYBVSUBDFWAEH-LLVKDONJSA-N 2 0 230.352 0.267 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000084420035 135249437 /nfs/dbraw/zinc/24/94/37/135249437.db2.gz OYTUXWGYZREOHX-SECBINFHSA-N 2 0 213.325 0.276 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646856981 388625906 /nfs/dbraw/zinc/62/59/06/388625906.db2.gz UROTXZJKQYRCSC-UMNHJUIQSA-N 2 0 243.351 0.079 20 0 BCADRP CCn1nncc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000530212699 388628091 /nfs/dbraw/zinc/62/80/91/388628091.db2.gz SPSXSYSWQZWKBH-ZYHUDNBSSA-N 2 0 237.351 0.905 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCN(C)C1=O ZINC000530217393 388629908 /nfs/dbraw/zinc/62/99/08/388629908.db2.gz GUESMERFEOYWGM-IVZWLZJFSA-N 2 0 213.325 0.323 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(CCOC)CC1 ZINC000530225955 388635943 /nfs/dbraw/zinc/63/59/43/388635943.db2.gz ZBECKBIHMYYAFG-CYBMUJFWSA-N 2 0 244.379 0.705 20 0 BCADRP CC1(N2CCOCC2)CC[NH+](CCC[NH3+])CC1 ZINC000530231756 388636614 /nfs/dbraw/zinc/63/66/14/388636614.db2.gz LYEPHFLUBMRTMR-UHFFFAOYSA-N 2 0 241.379 0.522 20 0 BCADRP CCOC[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000530232439 388636976 /nfs/dbraw/zinc/63/69/76/388636976.db2.gz PCVDVVYVKVFQKK-STQMWFEESA-N 2 0 242.363 0.723 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000521876361 388638528 /nfs/dbraw/zinc/63/85/28/388638528.db2.gz ZNWHSPDKJKPYFT-DCAQKATOSA-N 2 0 227.352 0.476 20 0 BCADRP [NH3+]CCOCC[NH+]1CCC(CC[NH3+])CC1 ZINC000521884786 388638693 /nfs/dbraw/zinc/63/86/93/388638693.db2.gz DWQHUQSJCRWQSN-UHFFFAOYSA-N 3 0 215.341 0.023 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000521876360 388638969 /nfs/dbraw/zinc/63/89/69/388638969.db2.gz ZNWHSPDKJKPYFT-AXFHLTTASA-N 2 0 227.352 0.476 20 0 BCADRP COc1ccc(CC[NH2+]CC(C)(C)[NH3+])cn1 ZINC000530245437 388639168 /nfs/dbraw/zinc/63/91/68/388639168.db2.gz XORRDMBXWLHILB-UHFFFAOYSA-N 2 0 223.320 0.960 20 0 BCADRP CCCNC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222562509 388640730 /nfs/dbraw/zinc/64/07/30/388640730.db2.gz MKWXLKUBUAGUDO-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP COC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222707490 388642729 /nfs/dbraw/zinc/64/27/29/388642729.db2.gz MEHACJLCGCGDMK-QJPTWQEYSA-N 2 0 230.352 0.456 20 0 BCADRP CC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037904462 388649858 /nfs/dbraw/zinc/64/98/58/388649858.db2.gz QILUGIKPGFAOMH-JQWIXIFHSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246840905 388654084 /nfs/dbraw/zinc/65/40/84/388654084.db2.gz CDZUWLFFGWQXFW-HBNTYKKESA-N 2 0 200.326 0.687 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000246923035 388654544 /nfs/dbraw/zinc/65/45/44/388654544.db2.gz KHGOLQZEOGPING-GARJFASQSA-N 2 0 227.352 0.700 20 0 BCADRP COCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223654082 388655823 /nfs/dbraw/zinc/65/58/23/388655823.db2.gz QCTKLCXRMOBWIJ-XQQFMLRXSA-N 2 0 244.379 0.846 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CO)[C@@H](C)C1 ZINC000224299575 388662561 /nfs/dbraw/zinc/66/25/61/388662561.db2.gz BYPJZLPKGFKBCN-GARJFASQSA-N 2 0 200.326 0.687 20 0 BCADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000552883095 388739553 /nfs/dbraw/zinc/73/95/53/388739553.db2.gz OYPDKUIOTVLEJI-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251349631 388747017 /nfs/dbraw/zinc/74/70/17/388747017.db2.gz MIRHUBURNMQKPO-WOPDTQHZSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000128801110 388795018 /nfs/dbraw/zinc/79/50/18/388795018.db2.gz OXCHJIFDAHSHKY-GMTAPVOTSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCO ZINC000229604704 388796955 /nfs/dbraw/zinc/79/69/55/388796955.db2.gz MCSXLZAGVWFVQI-MNOVXSKESA-N 2 0 200.326 0.689 20 0 BCADRP CC[C@H](O)C[NH2+]C1CC[NH+](CC)CC1 ZINC000229963117 388805979 /nfs/dbraw/zinc/80/59/79/388805979.db2.gz YEFFFDCBZKCULV-NSHDSACASA-N 2 0 200.326 0.831 20 0 BCADRP C[NH+](C)CCOCC[NH2+]Cc1ccco1 ZINC000230004824 388810102 /nfs/dbraw/zinc/81/01/02/388810102.db2.gz TUWXCSZAGMIYAM-UHFFFAOYSA-N 2 0 212.293 0.947 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)COC)C[C@H]1C ZINC000539719200 388771569 /nfs/dbraw/zinc/77/15/69/388771569.db2.gz PLPOUKIMAULKGI-UPJWGTAASA-N 2 0 244.379 0.798 20 0 BCADRP C[NH+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000193159758 388782104 /nfs/dbraw/zinc/78/21/04/388782104.db2.gz WCDUERPCOVSBMQ-UHFFFAOYSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000129373028 388834915 /nfs/dbraw/zinc/83/49/15/388834915.db2.gz OGAXMHBRBTWGMZ-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccnc1 ZINC000555222008 388842413 /nfs/dbraw/zinc/84/24/13/388842413.db2.gz CWDXOXVGTIBKGF-SNVBAGLBSA-N 2 0 222.292 0.094 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000648771138 388859911 /nfs/dbraw/zinc/85/99/11/388859911.db2.gz FLYLPTJDHCHGSX-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCn2ccnc2)CC[N@@H+]1C ZINC000129661676 388862893 /nfs/dbraw/zinc/86/28/93/388862893.db2.gz OYTGZFIXSMDBGO-VXGBXAGGSA-N 2 0 222.336 0.955 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC1(C)CC[NH2+]CC1 ZINC000193324116 388849407 /nfs/dbraw/zinc/84/94/07/388849407.db2.gz ABCVARBXRIHJJD-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000523663170 388850209 /nfs/dbraw/zinc/85/02/09/388850209.db2.gz RDXVEEMSLZWVKH-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000564838445 388893441 /nfs/dbraw/zinc/89/34/41/388893441.db2.gz MBVMQFGSXQHNSC-UWVGGRQHSA-N 2 0 227.352 0.346 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000564937495 388898845 /nfs/dbraw/zinc/89/88/45/388898845.db2.gz LWGOCPNJHOIXFA-DCAQKATOSA-N 2 0 242.367 0.635 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000564947559 388900090 /nfs/dbraw/zinc/90/00/90/388900090.db2.gz MJMXCLIOSJWHRS-GHMZBOCLSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000564956685 388900931 /nfs/dbraw/zinc/90/09/31/388900931.db2.gz UPZPXODAQBNNJB-GARJFASQSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H](NC(=O)c1ccnc(C[NH3+])c1)[C@H](C)[NH3+] ZINC000564957159 388901244 /nfs/dbraw/zinc/90/12/44/388901244.db2.gz CNMYIGBCAINQFK-JGVFFNPUSA-N 2 0 222.292 0.006 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000564449633 388875726 /nfs/dbraw/zinc/87/57/26/388875726.db2.gz GYVUXRWIWUVIBV-SNVBAGLBSA-N 2 0 236.319 0.025 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN1CC[C@@H](OCC(C)C)C1 ZINC000564576459 388878871 /nfs/dbraw/zinc/87/88/71/388878871.db2.gz MNMRYNJOWRIWHC-CHWSQXEVSA-N 2 0 244.379 0.704 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564997971 388907572 /nfs/dbraw/zinc/90/75/72/388907572.db2.gz UAUMTZYTEJBSQU-ZDUSSCGKSA-N 2 0 239.363 0.588 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H](C)C[C@H](C)[NH3+])[NH+](C)C ZINC000565041281 388909831 /nfs/dbraw/zinc/90/98/31/388909831.db2.gz UUAYCROXSKJJNW-AXFHLTTASA-N 2 0 229.368 0.815 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000565302517 388936148 /nfs/dbraw/zinc/93/61/48/388936148.db2.gz KCWZGNAZNGLOBD-NXEZZACHSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)CC1(C[NH3+])CC1 ZINC000565155101 388918673 /nfs/dbraw/zinc/91/86/73/388918673.db2.gz CYBJOMIHNJILPL-VHSXEESVSA-N 2 0 225.336 0.454 20 0 BCADRP CN(CCC[NH3+])C(=O)NCCC[NH2+]C1CC1 ZINC000565250827 388931838 /nfs/dbraw/zinc/93/18/38/388931838.db2.gz RMSNKMNEZJCFPW-UHFFFAOYSA-N 2 0 228.340 0.119 20 0 BCADRP CC[C@@H]1CC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000565308774 388936915 /nfs/dbraw/zinc/93/69/15/388936915.db2.gz DPHIMRIEVPMNTD-GHMZBOCLSA-N 2 0 200.326 0.689 20 0 BCADRP OCCN1CCCC[C@H]1C[NH2+]CC1(O)CCC1 ZINC000565716503 388964174 /nfs/dbraw/zinc/96/41/74/388964174.db2.gz HQWWKPJQTXFUAH-LBPRGKRZSA-N 2 0 242.363 0.338 20 0 BCADRP [NH3+]CCC1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000565723508 388966075 /nfs/dbraw/zinc/96/60/75/388966075.db2.gz RCSKSRQXOCHKBW-UHFFFAOYSA-N 2 0 211.309 0.065 20 0 BCADRP [NH3+]C[C@H]1CCC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000565421704 388943591 /nfs/dbraw/zinc/94/35/91/388943591.db2.gz ARTSYSFZRJCPMP-CHWSQXEVSA-N 2 0 242.363 0.853 20 0 BCADRP [NH3+]C[C@@H]1CCC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000565421707 388943604 /nfs/dbraw/zinc/94/36/04/388943604.db2.gz ARTSYSFZRJCPMP-STQMWFEESA-N 2 0 242.363 0.853 20 0 BCADRP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000565480200 388949112 /nfs/dbraw/zinc/94/91/12/388949112.db2.gz BGSDRZOCRNZMBA-AGIUHOORSA-N 2 0 242.363 0.851 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC(C)(C)CCC[NH3+] ZINC000565784787 388969785 /nfs/dbraw/zinc/96/97/85/388969785.db2.gz JWBFYAXBGBUQRW-QMMMGPOBSA-N 2 0 201.314 0.228 20 0 BCADRP [NH3+]C1(C(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000565892050 388976282 /nfs/dbraw/zinc/97/62/82/388976282.db2.gz IBWGIILRBCQHSH-UHFFFAOYSA-N 2 0 248.330 0.169 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC1CCOCC1 ZINC000565897788 388977475 /nfs/dbraw/zinc/97/74/75/388977475.db2.gz KFKNLCQSZZGVBD-GFCCVEGCSA-N 2 0 230.352 0.315 20 0 BCADRP CN(CC[NH3+])Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565898460 388977673 /nfs/dbraw/zinc/97/76/73/388977673.db2.gz RKMBNBGGQDUOJP-UHFFFAOYSA-N 2 0 219.332 0.723 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@@](C)(C[NH3+])C2)CC[NH2+]C1 ZINC000565945727 388980911 /nfs/dbraw/zinc/98/09/11/388980911.db2.gz UQELYCGFTJISFT-NWDGAFQWSA-N 2 0 225.336 0.183 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000566100259 388986722 /nfs/dbraw/zinc/98/67/22/388986722.db2.gz OVPXUNLJTHENSJ-WDEREUQCSA-N 2 0 231.299 0.618 20 0 BCADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)COC)CC1 ZINC000566118173 388989088 /nfs/dbraw/zinc/98/90/88/388989088.db2.gz XLRWKZIDLYFEBX-CYBMUJFWSA-N 2 0 244.379 0.848 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000565832265 388972141 /nfs/dbraw/zinc/97/21/41/388972141.db2.gz ILODGKWJGLDPRO-JBLDHEPKSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H](NCC1=CC[N@H+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000400560766 533364873 /nfs/dbraw/zinc/36/48/73/533364873.db2.gz HUKSSWOPPBAOOB-DGCLKSJQSA-N 2 0 223.364 0.978 20 0 BCADRP C([C@H]1CCOC1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261532060 533377932 /nfs/dbraw/zinc/37/79/32/533377932.db2.gz IYRAEGPLEMPERM-UTUOFQBUSA-N 2 0 210.321 0.707 20 0 BCADRP COC[C@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068891156 133530137 /nfs/dbraw/zinc/53/01/37/133530137.db2.gz OMXSRZKYRPJGLP-GFCCVEGCSA-N 2 0 230.352 0.267 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334270518 133609552 /nfs/dbraw/zinc/60/95/52/133609552.db2.gz FNUMYFWBHUBKCV-JQWIXIFHSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC000335443427 133847286 /nfs/dbraw/zinc/84/72/86/133847286.db2.gz IADWFIQJJNOYBG-VIFPVBQESA-N 2 0 232.287 0.754 20 0 BCADRP C[C@@H]1C[N@H+](CCn2ccnc2)[C@@H](C)CN1C ZINC000335975394 134030861 /nfs/dbraw/zinc/03/08/61/134030861.db2.gz XILOPNYZIYBOSK-NEPJUHHUSA-N 2 0 222.336 0.908 20 0 BCADRP C[C@@H]1C[N@H+](CCn2ccnc2)[C@H](C)CN1C ZINC000335975397 134031144 /nfs/dbraw/zinc/03/11/44/134031144.db2.gz XILOPNYZIYBOSK-VXGBXAGGSA-N 2 0 222.336 0.908 20 0 BCADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000335990082 134039701 /nfs/dbraw/zinc/03/97/01/134039701.db2.gz HCWLXDVFWAQAAK-TVQRCGJNSA-N 2 0 245.326 0.852 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000336004217 134048421 /nfs/dbraw/zinc/04/84/21/134048421.db2.gz LMRQBNVWFIYNRJ-JQWIXIFHSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000336004216 134048513 /nfs/dbraw/zinc/04/85/13/134048513.db2.gz LMRQBNVWFIYNRJ-CMPLNLGQSA-N 2 0 239.363 0.429 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000336005287 134048788 /nfs/dbraw/zinc/04/87/88/134048788.db2.gz NFTGNPLVSHYGKK-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000336032514 134058589 /nfs/dbraw/zinc/05/85/89/134058589.db2.gz SAOBIEZTGZOSOZ-DGCLKSJQSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[NH2+]CC1 ZINC000336111975 134086887 /nfs/dbraw/zinc/08/68/87/134086887.db2.gz FBJSUNORZYWVLM-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)c2coc(C[NH3+])c2)[C@H]1C ZINC000336156603 134106316 /nfs/dbraw/zinc/10/63/16/134106316.db2.gz JOLRRDKUKARMEZ-IUCAKERBSA-N 2 0 237.303 0.561 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000336173777 134116101 /nfs/dbraw/zinc/11/61/01/134116101.db2.gz QTBJWHULMLKTAX-VXGBXAGGSA-N 2 0 237.347 0.293 20 0 BCADRP COC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167604869 134152939 /nfs/dbraw/zinc/15/29/39/134152939.db2.gz SGHOMHGISUMJJO-VWYCJHECSA-N 2 0 200.326 0.938 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167678410 134153717 /nfs/dbraw/zinc/15/37/17/134153717.db2.gz QHEVVPLKUDQDTG-MNOVXSKESA-N 2 0 228.336 0.856 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C[NH+](C)C ZINC000167926169 134155066 /nfs/dbraw/zinc/15/50/66/134155066.db2.gz YQMHCIQDVPIJQS-VHSXEESVSA-N 2 0 213.325 0.276 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C[NH+](C)C ZINC000167940132 134155083 /nfs/dbraw/zinc/15/50/83/134155083.db2.gz PWJOXAJJEQGYFZ-UHFFFAOYSA-N 2 0 201.314 0.182 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C1(C[NH3+])CCCC1 ZINC000168152949 134156130 /nfs/dbraw/zinc/15/61/30/134156130.db2.gz ZQNKFLDQZBQCME-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)CC[NH+](C)C ZINC000353455568 134163722 /nfs/dbraw/zinc/16/37/22/134163722.db2.gz YHFZIEJXFKBTQM-WOPDTQHZSA-N 2 0 241.379 0.831 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085012745 134221574 /nfs/dbraw/zinc/22/15/74/134221574.db2.gz DMBJQQZIYCDRBZ-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000168988058 134248846 /nfs/dbraw/zinc/24/88/46/134248846.db2.gz NOGCBHGGZVZUMA-VHSXEESVSA-N 2 0 229.368 0.816 20 0 BCADRP C[NH2+]CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000169809560 134251807 /nfs/dbraw/zinc/25/18/07/134251807.db2.gz VZBHQOXIFJDRTB-LBPRGKRZSA-N 2 0 233.315 0.379 20 0 BCADRP CC1CC([NH2+]CCOCC[NH+](C)C)C1 ZINC000219315185 134281494 /nfs/dbraw/zinc/28/14/94/134281494.db2.gz DZLWLKGUFIBCJX-UHFFFAOYSA-N 2 0 200.326 0.953 20 0 BCADRP COC[C@H](C)[NH2+]C[C@@H]1CN(CC(C)C)CCO1 ZINC000176018101 134290150 /nfs/dbraw/zinc/29/01/50/134290150.db2.gz DWYSWQIIEZHKRI-QWHCGFSZSA-N 2 0 244.379 0.968 20 0 BCADRP [NH3+]C1(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000178404827 134309496 /nfs/dbraw/zinc/30/94/96/134309496.db2.gz RYWSBJNWGNTBBE-ZACCUICWSA-N 2 0 237.347 0.657 20 0 BCADRP [NH3+][C@H](C(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000178406698 134310086 /nfs/dbraw/zinc/31/00/86/134310086.db2.gz PNNFGEYLGNZUBU-NEPJUHHUSA-N 2 0 233.315 0.555 20 0 BCADRP CN(C(=O)[C@@H]([NH3+])c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000178409549 134310119 /nfs/dbraw/zinc/31/01/19/134310119.db2.gz OHWVUWMCNSOOGW-NEPJUHHUSA-N 2 0 233.315 0.507 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178601011 134312182 /nfs/dbraw/zinc/31/21/82/134312182.db2.gz LMSPWGZZNDFUBQ-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP COC1CC([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000220889663 134313154 /nfs/dbraw/zinc/31/31/54/134313154.db2.gz BHXHYJPWRNSUMI-CXQJBGSLSA-N 2 0 228.336 0.210 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC000178966662 134313492 /nfs/dbraw/zinc/31/34/92/134313492.db2.gz ZWWFSXDKWTUSOU-NSHDSACASA-N 2 0 227.352 0.395 20 0 BCADRP CC(C)[C@H]1C(=O)NCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178972239 134314073 /nfs/dbraw/zinc/31/40/73/134314073.db2.gz HAFWGRZPOVCBQR-LBPRGKRZSA-N 2 0 239.363 0.442 20 0 BCADRP CNC(=O)[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178972929 134314100 /nfs/dbraw/zinc/31/41/00/134314100.db2.gz ZVHBIKAAPOKPNQ-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)C(C)(C)C[NH+](C)C ZINC000178817925 134315505 /nfs/dbraw/zinc/31/55/05/134315505.db2.gz MMYNJHUAPMZLGM-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000178817815 134315612 /nfs/dbraw/zinc/31/56/12/134315612.db2.gz OPVHUGYVEFBHED-RKDXNWHRSA-N 2 0 215.341 0.426 20 0 BCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C[NH3+] ZINC000178818686 134315708 /nfs/dbraw/zinc/31/57/08/134315708.db2.gz DBCOKANGHBDHIJ-SNVBAGLBSA-N 2 0 213.325 0.278 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000180897234 134331988 /nfs/dbraw/zinc/33/19/88/134331988.db2.gz IOHAMTODPRKSSM-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000180896432 134332033 /nfs/dbraw/zinc/33/20/33/134332033.db2.gz CYJDREJGNSSFQP-PWSUYJOCSA-N 2 0 225.336 0.326 20 0 BCADRP CCC[NH+]1CCC([NH2+][C@@H](CCO)COC)CC1 ZINC000223936553 134343633 /nfs/dbraw/zinc/34/36/33/134343633.db2.gz GHSPKLAJLMDQML-ZDUSSCGKSA-N 2 0 244.379 0.848 20 0 BCADRP CC[C@@]1(C(=O)N2CC[C@H](C[NH2+]C)C2)CCC[NH2+]1 ZINC000184074788 134357589 /nfs/dbraw/zinc/35/75/89/134357589.db2.gz FVORQNDAJWODED-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]CCCC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184169284 134358984 /nfs/dbraw/zinc/35/89/84/134358984.db2.gz SXHXOICCFXHOOQ-UHFFFAOYSA-N 2 0 235.331 0.713 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C[C@@H](C)[NH3+] ZINC000226407734 134365740 /nfs/dbraw/zinc/36/57/40/134365740.db2.gz JFKNWVSGTYPDBD-SNVBAGLBSA-N 2 0 215.341 0.572 20 0 BCADRP C[NH+](C)CCOCC[NH2+]Cc1cncs1 ZINC000226744160 134370783 /nfs/dbraw/zinc/37/07/83/134370783.db2.gz QTPWLXLFWJUZKP-UHFFFAOYSA-N 2 0 229.349 0.811 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NCc2ncc[nH]2)CC[N@@H+]1C ZINC000408113375 134396576 /nfs/dbraw/zinc/39/65/76/134396576.db2.gz VNUGULVNPRNVQK-UWVGGRQHSA-N 2 0 236.319 0.756 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCCCC[NH+](C)C ZINC000086068531 134580544 /nfs/dbraw/zinc/58/05/44/134580544.db2.gz NIGQBLJQMFCQIA-SNVBAGLBSA-N 2 0 215.341 0.300 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000049559627 134634754 /nfs/dbraw/zinc/63/47/54/134634754.db2.gz IQZOPSKRQROCCQ-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C[C@H]1CCC[NH2+]1 ZINC000154496803 134672025 /nfs/dbraw/zinc/67/20/25/134672025.db2.gz QQOVOALGKXUBKU-SNVBAGLBSA-N 2 0 227.352 0.762 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@H]1CCC[NH2+]1 ZINC000155545572 134693793 /nfs/dbraw/zinc/69/37/93/134693793.db2.gz PVHXCVCNWVHJOY-GHMZBOCLSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@]1(C(=O)NC[C@H](C)C[NH2+]C)CCC[NH2+]1 ZINC000134368341 134707932 /nfs/dbraw/zinc/70/79/32/134707932.db2.gz VRKKLNMAKIIBMD-ZYHUDNBSSA-N 2 0 227.352 0.490 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH2+]C ZINC000236753625 134834414 /nfs/dbraw/zinc/83/44/14/134834414.db2.gz WKNPBLWPMSTMNS-VHSXEESVSA-N 2 0 215.341 0.476 20 0 BCADRP CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000237087501 134842094 /nfs/dbraw/zinc/84/20/94/134842094.db2.gz PLPLJRAZLCJFBF-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC000163606990 135011828 /nfs/dbraw/zinc/01/18/28/135011828.db2.gz JVOOZVDVLILLDH-SNVBAGLBSA-N 2 0 247.408 0.525 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000163614166 135020372 /nfs/dbraw/zinc/02/03/72/135020372.db2.gz CDDXQXXSFLLQPL-SNVBAGLBSA-N 2 0 245.392 0.277 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000249005907 135029489 /nfs/dbraw/zinc/02/94/89/135029489.db2.gz JAFIFFKLHLWNCE-JPIWQCGSSA-N 2 0 239.363 0.711 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000249614899 135041960 /nfs/dbraw/zinc/04/19/60/135041960.db2.gz SRCSQMGRXBSMRJ-SDDRHHMPSA-N 2 0 241.379 0.960 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)CC[C@H](C)[NH3+])C1 ZINC000250364605 135052778 /nfs/dbraw/zinc/05/27/78/135052778.db2.gz UNJCFRKZNNDVCV-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251088129 135064104 /nfs/dbraw/zinc/06/41/04/135064104.db2.gz NTRFOANFQOITMM-UTUOFQBUSA-N 2 0 212.337 0.974 20 0 BCADRP COC[C@H](O)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251218324 135066486 /nfs/dbraw/zinc/06/64/86/135066486.db2.gz NXMAWUIMMWOHSA-JHJVBQTASA-N 2 0 244.379 0.894 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251769598 135076162 /nfs/dbraw/zinc/07/61/62/135076162.db2.gz MHILTEGARHRASF-BBBLOLIVSA-N 2 0 211.309 0.029 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)CC[C@H]1[NH3+] ZINC000251931289 135081059 /nfs/dbraw/zinc/08/10/59/135081059.db2.gz YSZPSDPUPQQCQH-ZWNOBZJWSA-N 2 0 247.342 0.955 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@H]1CCCOC1 ZINC000086435789 135084129 /nfs/dbraw/zinc/08/41/29/135084129.db2.gz UXUVXORXADUCKO-LLVKDONJSA-N 2 0 216.325 0.320 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252177695 135085708 /nfs/dbraw/zinc/08/57/08/135085708.db2.gz SIHOOBDCXLALAL-IVZWLZJFSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCO2)CC[N@@H+]1C ZINC000252210420 135087008 /nfs/dbraw/zinc/08/70/08/135087008.db2.gz XZMRGPZWUMIJBC-UPJWGTAASA-N 2 0 241.379 0.389 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252198230 135087013 /nfs/dbraw/zinc/08/70/13/135087013.db2.gz VVILLYPXRWIEPG-AXFHLTTASA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000252651161 135093436 /nfs/dbraw/zinc/09/34/36/135093436.db2.gz AFZNZXOUAQGLLL-GRYCIOLGSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000252660869 135093967 /nfs/dbraw/zinc/09/39/67/135093967.db2.gz BQUURSZIJJYVRS-WHOHXGKFSA-N 2 0 214.353 0.933 20 0 BCADRP COC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000086700620 135095470 /nfs/dbraw/zinc/09/54/70/135095470.db2.gz GFAMJCNRBUNIRK-CHWSQXEVSA-N 2 0 244.379 0.704 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000252709799 135099372 /nfs/dbraw/zinc/09/93/72/135099372.db2.gz DWIFAELSDXRBIG-LOWDOPEQSA-N 2 0 242.363 0.863 20 0 BCADRP C[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252712050 135100806 /nfs/dbraw/zinc/10/08/06/135100806.db2.gz LIKSHQMZLVBYJP-OUAUKWLOSA-N 2 0 200.326 0.687 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC(=O)N(C)C ZINC000252716874 135102177 /nfs/dbraw/zinc/10/21/77/135102177.db2.gz ZKQYYUMJLGCYKI-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000252727051 135102740 /nfs/dbraw/zinc/10/27/40/135102740.db2.gz OHAYBIBSMIOKSK-GWOFURMSSA-N 2 0 227.352 0.569 20 0 BCADRP COC(=O)CCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252848065 135112593 /nfs/dbraw/zinc/11/25/93/135112593.db2.gz GKGTVZTYFKPGBH-SRVKXCTJSA-N 2 0 240.347 0.999 20 0 BCADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000253096457 135121340 /nfs/dbraw/zinc/12/13/40/135121340.db2.gz LVPZPOVTFMCQDN-XWLWVQCSSA-N 2 0 212.337 0.863 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262824255 135122706 /nfs/dbraw/zinc/12/27/06/135122706.db2.gz PVESDRCXECQJCX-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@H]1O ZINC000253184642 135123270 /nfs/dbraw/zinc/12/32/70/135123270.db2.gz JYEJKDLJDFXJEV-CMPLNLGQSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@H]1C(=O)N(C)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000257768613 135141418 /nfs/dbraw/zinc/14/14/18/135141418.db2.gz BDGJVWFUEDZYHS-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC(=O)N1C ZINC000257792576 135141864 /nfs/dbraw/zinc/14/18/64/135141864.db2.gz QJACVMIUDRGIID-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP c1cncc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000078777437 135151139 /nfs/dbraw/zinc/15/11/39/135151139.db2.gz OBISGFVIYDEALW-BETUJISGSA-N 2 0 217.316 0.775 20 0 BCADRP CCC[N@H+](CCO)C[C@@]1(C)CC[NH2+]C1 ZINC000261528988 135155358 /nfs/dbraw/zinc/15/53/58/135155358.db2.gz YWMQCGATGJQOSN-NSHDSACASA-N 2 0 200.326 0.690 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1CCn1cncn1 ZINC000261529558 135155562 /nfs/dbraw/zinc/15/55/62/135155562.db2.gz BAGXZZAYPGZWEE-JTQLQIEISA-N 2 0 209.297 0.091 20 0 BCADRP CN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000261530957 135158966 /nfs/dbraw/zinc/15/89/66/135158966.db2.gz DQVCAQJQDKLCRB-TUAOUCFPSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000261531196 135160204 /nfs/dbraw/zinc/16/02/04/135160204.db2.gz FPPLFZYUMVTGMB-WCQGTBRESA-N 2 0 212.337 0.864 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])C(C)C ZINC000261532473 135162438 /nfs/dbraw/zinc/16/24/38/135162438.db2.gz AITLKUFBWTZSAA-ZJUUUORDSA-N 2 0 215.341 0.603 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353391859 135166535 /nfs/dbraw/zinc/16/65/35/135166535.db2.gz DXKOAFQLPHJZEO-KKOKHZNYSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000261539523 135177982 /nfs/dbraw/zinc/17/79/82/135177982.db2.gz CRGKPRFYMROVID-JQWIXIFHSA-N 3 0 211.353 0.798 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C[C@H](C[NH3+])OC ZINC000261539946 135178880 /nfs/dbraw/zinc/17/88/80/135178880.db2.gz CQXZNPXFPSSVGA-GHMZBOCLSA-N 2 0 245.367 0.197 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C[C@@H]1CCC[NH2+]C1 ZINC000261540243 135179512 /nfs/dbraw/zinc/17/95/12/135179512.db2.gz DWDVWGCDROPZLJ-QJPTWQEYSA-N 2 0 211.353 0.668 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+](C)C ZINC000261542936 135183467 /nfs/dbraw/zinc/18/34/67/135183467.db2.gz HGSMODCCPVYXEW-ZJUUUORDSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H]1CN(C)CCN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000261543525 135184401 /nfs/dbraw/zinc/18/44/01/135184401.db2.gz UBAFHKCJHYXIAS-WOPDTQHZSA-N 2 0 239.363 0.666 20 0 BCADRP COCC(C)(C)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261543984 135184568 /nfs/dbraw/zinc/18/45/68/135184568.db2.gz IKEBTPXFPMIZBI-PHIMTYICSA-N 2 0 212.337 0.810 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCN1CCOCC1 ZINC000261543994 135185313 /nfs/dbraw/zinc/18/53/13/135185313.db2.gz DKQHHBWBCZCDTP-LBPRGKRZSA-N 2 0 241.379 0.296 20 0 BCADRP C[C@@H]1COCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261545080 135186471 /nfs/dbraw/zinc/18/64/71/135186471.db2.gz JOKKITZUDDUNRA-RYUDHWBXSA-N 2 0 212.337 0.954 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000261549637 135188221 /nfs/dbraw/zinc/18/82/21/135188221.db2.gz OWJALCAIYAZZHM-DTWKUNHWSA-N 2 0 215.341 0.603 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000261550813 135189800 /nfs/dbraw/zinc/18/98/00/135189800.db2.gz PSSIZZBJPDSDNC-AEJSXWLSSA-N 2 0 213.325 0.051 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH2+]C)C1 ZINC000261553444 135193181 /nfs/dbraw/zinc/19/31/81/135193181.db2.gz SMCJCHAUACDHFA-JTQLQIEISA-N 2 0 213.325 0.006 20 0 BCADRP C[C@H]1COCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261554434 135194435 /nfs/dbraw/zinc/19/44/35/135194435.db2.gz UDTSYQFRZTYYOI-LLVKDONJSA-N 2 0 212.337 0.954 20 0 BCADRP CN(C)c1nccc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000261555601 135195009 /nfs/dbraw/zinc/19/50/09/135195009.db2.gz BMLBWDUHISXWKJ-GHMZBOCLSA-N 2 0 247.346 0.588 20 0 BCADRP C[C@H]1CCCN(CCOCC[NH3+])[C@@H]1C[NH3+] ZINC000261555500 135195045 /nfs/dbraw/zinc/19/50/45/135195045.db2.gz VBYBWGADLDPPID-WDEREUQCSA-N 2 0 215.341 0.021 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000261555488 135195661 /nfs/dbraw/zinc/19/56/61/135195661.db2.gz VBTPBPFKXVDSAC-UWVGGRQHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@H](C(=O)NC1CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261558853 135199732 /nfs/dbraw/zinc/19/97/32/135199732.db2.gz STXCIIBFCIKYHU-CKYFFXLPSA-N 2 0 237.347 0.337 20 0 BCADRP CCC[N@H+](CCn1cncn1)C1CC[NH2+]CC1 ZINC000261560185 135201558 /nfs/dbraw/zinc/20/15/58/135201558.db2.gz UJBMLWSCOLBVIS-UHFFFAOYSA-N 2 0 237.351 0.742 20 0 BCADRP CN(C[C@H]1CCC[NH2+]C1)CC(C)(C)C[NH3+] ZINC000261561219 135202190 /nfs/dbraw/zinc/20/21/90/135202190.db2.gz AMMHEQJMTHZQFF-NSHDSACASA-N 2 0 213.369 0.903 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000261562696 135204114 /nfs/dbraw/zinc/20/41/14/135204114.db2.gz BNMYPXDTMWHSKE-UTLUCORTSA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC000261562885 135204379 /nfs/dbraw/zinc/20/43/79/135204379.db2.gz WQPNTQAQJBQSGB-IJLUTSLNSA-N 2 0 235.335 0.337 20 0 BCADRP CC(C)(C)NC(=O)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261563352 135204889 /nfs/dbraw/zinc/20/48/89/135204889.db2.gz WZDJQVFGBWJUQA-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP C(C1CCC1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261563835 135205755 /nfs/dbraw/zinc/20/57/55/135205755.db2.gz CBJSZDJKBMFOLC-ZDUSSCGKSA-N 2 0 223.364 0.766 20 0 BCADRP c1cnn(CCN2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261564472 135205856 /nfs/dbraw/zinc/20/58/56/135205856.db2.gz CPMCWOGMLSLTQZ-RYUDHWBXSA-N 2 0 220.320 0.567 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000261566452 135208972 /nfs/dbraw/zinc/20/89/72/135208972.db2.gz DPEXNLCQYOQGBL-VIFPVBQESA-N 2 0 215.341 0.285 20 0 BCADRP COCC[NH+](CCOC)CC[C@@H]1CC[NH2+]C1 ZINC000084385078 135218119 /nfs/dbraw/zinc/21/81/19/135218119.db2.gz VPCMQMOPPPAUCM-LBPRGKRZSA-N 2 0 230.352 0.581 20 0 BCADRP CC[NH+](CC)CC(=O)NC(C)(C)C[NH3+] ZINC000261580673 135221463 /nfs/dbraw/zinc/22/14/63/135221463.db2.gz NBWMAFGXTMIJIY-UHFFFAOYSA-N 2 0 201.314 0.182 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOCC(F)F ZINC000261583273 135224088 /nfs/dbraw/zinc/22/40/88/135224088.db2.gz OWYYJVTVRPYXHO-IUCAKERBSA-N 2 0 222.279 0.937 20 0 BCADRP [NH3+]CCC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000261584188 135225001 /nfs/dbraw/zinc/22/50/01/135225001.db2.gz PNNRQKBBLYMQDI-SNVBAGLBSA-N 2 0 213.325 0.359 20 0 BCADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000261585202 135226045 /nfs/dbraw/zinc/22/60/45/135226045.db2.gz SUSLLKCFJBQPPW-AWEZNQCLSA-N 2 0 247.342 0.956 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC2(C1)CCOCC2 ZINC000261585487 135226733 /nfs/dbraw/zinc/22/67/33/135226733.db2.gz QLBFJZGDQNNKJB-UHFFFAOYSA-N 2 0 228.336 0.464 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C1C[NH2+]C1 ZINC000261585816 135226818 /nfs/dbraw/zinc/22/68/18/135226818.db2.gz QQJCKZQXFBBDMW-SNVBAGLBSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000261592422 135233049 /nfs/dbraw/zinc/23/30/49/135233049.db2.gz VVOFFSWQXRWWRB-QXEWZRGKSA-N 2 0 213.325 0.357 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)C[NH3+] ZINC000261593149 135233633 /nfs/dbraw/zinc/23/36/33/135233633.db2.gz WQUVXWLNNVJBPO-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000261596839 135235588 /nfs/dbraw/zinc/23/55/88/135235588.db2.gz YYTVDJDMBXZDTR-DOLQZWNJSA-N 2 0 213.325 0.084 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000261596840 135237206 /nfs/dbraw/zinc/23/72/06/135237206.db2.gz YYTVDJDMBXZDTR-QCLAVDOMSA-N 2 0 213.325 0.084 20 0 BCADRP CCC[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000261599131 135237825 /nfs/dbraw/zinc/23/78/25/135237825.db2.gz ATUNUFHETYLTRZ-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP CNC(=O)CC[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261546670 135239393 /nfs/dbraw/zinc/23/93/93/135239393.db2.gz LERBBMQUTKPJJL-NSHDSACASA-N 2 0 213.325 0.054 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]([NH3+])[C@H](C)CC ZINC000261547597 135240816 /nfs/dbraw/zinc/24/08/16/135240816.db2.gz MOPJEKJYSCMILW-OPRDCNLKSA-N 2 0 215.341 0.474 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC[NH2+]C ZINC000261547747 135241054 /nfs/dbraw/zinc/24/10/54/135241054.db2.gz MRIFFGVBYCPVJJ-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@H]1C ZINC000261677604 135245090 /nfs/dbraw/zinc/24/50/90/135245090.db2.gz GQBDEYSWKKLFNO-CMPLNLGQSA-N 2 0 240.347 0.869 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000261674104 135245093 /nfs/dbraw/zinc/24/50/93/135245093.db2.gz JHTUYAPGDSKJPT-USWWRNFRSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@@]1(C[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261687608 135245753 /nfs/dbraw/zinc/24/57/53/135245753.db2.gz AQLOHXXXPTZXNY-ZYHUDNBSSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000261707928 135246577 /nfs/dbraw/zinc/24/65/77/135246577.db2.gz DFEVBKWXABMSIF-OUAUKWLOSA-N 2 0 227.352 0.713 20 0 BCADRP [NH3+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[NH2+]1 ZINC000261713158 135247350 /nfs/dbraw/zinc/24/73/50/135247350.db2.gz KRSHKVRXQHUIQY-CYBMUJFWSA-N 2 0 247.342 0.378 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000084419989 135248381 /nfs/dbraw/zinc/24/83/81/135248381.db2.gz BWGSVXNXQYHDKX-WDEREUQCSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000084420082 135249341 /nfs/dbraw/zinc/24/93/41/135249341.db2.gz GCLNTOFOMUFBRA-NXEZZACHSA-N 2 0 213.325 0.276 20 0 BCADRP C[NH2+]CC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261760406 135250606 /nfs/dbraw/zinc/25/06/06/135250606.db2.gz QBBYWNFDWLFZOX-UHFFFAOYSA-N 2 0 235.331 0.236 20 0 BCADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261811338 135254553 /nfs/dbraw/zinc/25/45/53/135254553.db2.gz HREOSDDXRROIIQ-GRYCIOLGSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000261822445 135255450 /nfs/dbraw/zinc/25/54/50/135255450.db2.gz MPHLRUYFWIARJI-OUAUKWLOSA-N 2 0 227.352 0.522 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)[NH3+])C1 ZINC000261844334 135256796 /nfs/dbraw/zinc/25/67/96/135256796.db2.gz OFAYVVKKPLQECM-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)[NH3+])C1 ZINC000261844328 135257361 /nfs/dbraw/zinc/25/73/61/135257361.db2.gz OFAYVVKKPLQECM-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261857074 135257978 /nfs/dbraw/zinc/25/79/78/135257978.db2.gz WNDGJAKCRJFLEM-SDDRHHMPSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]([NH3+])CC(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000261870483 135258841 /nfs/dbraw/zinc/25/88/41/135258841.db2.gz QPVICMQSSSJLMM-SECBINFHSA-N 2 0 245.286 0.943 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000261871366 135258859 /nfs/dbraw/zinc/25/88/59/135258859.db2.gz QRUQHTRXGNOSKN-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@]1(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)CC[NH2+]C1 ZINC000261872701 135259289 /nfs/dbraw/zinc/25/92/89/135259289.db2.gz PGJWQQLNNDEEQB-YNEHKIRRSA-N 2 0 223.364 0.670 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000261881392 135260250 /nfs/dbraw/zinc/26/02/50/135260250.db2.gz RWWQFWBVPAXHOQ-KOLCDFICSA-N 2 0 245.392 0.277 20 0 BCADRP [NH3+]C[C@@H](C(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000261886848 135260296 /nfs/dbraw/zinc/26/02/96/135260296.db2.gz BJLNRJRLPLFFCC-CHWSQXEVSA-N 2 0 247.342 0.582 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000261881396 135260324 /nfs/dbraw/zinc/26/03/24/135260324.db2.gz RWWQFWBVPAXHOQ-ONGXEEELSA-N 2 0 245.392 0.277 20 0 BCADRP OCCO[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261922937 135263784 /nfs/dbraw/zinc/26/37/84/135263784.db2.gz KRTKKEMFYUMHQX-OLZOCXBDSA-N 2 0 242.363 0.459 20 0 BCADRP [NH3+]CC1(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CCCC1 ZINC000261936686 135264397 /nfs/dbraw/zinc/26/43/97/135264397.db2.gz CQRQFYJLUAWTMC-WDEREUQCSA-N 2 0 239.363 0.892 20 0 BCADRP C[C@H](CN1CCOCC1)N(C)CC(C)(C)[NH3+] ZINC000261965471 135267230 /nfs/dbraw/zinc/26/72/30/135267230.db2.gz PTFRIHANESKAEH-LLVKDONJSA-N 2 0 229.368 0.376 20 0 BCADRP C[N@H+](CCc1cnccn1)CC1CC[NH2+]CC1 ZINC000261977981 135268988 /nfs/dbraw/zinc/26/89/88/135268988.db2.gz QYMFSSGDXBKIMA-UHFFFAOYSA-N 2 0 234.347 0.951 20 0 BCADRP Cn1nncc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261994268 135270903 /nfs/dbraw/zinc/27/09/03/135270903.db2.gz KOBYLUWBRJATTM-UHFFFAOYSA-N 2 0 235.335 0.391 20 0 BCADRP C[NH2+]CCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000262018224 135273273 /nfs/dbraw/zinc/27/32/73/135273273.db2.gz ACKNLJNAKHNLHF-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP CN(CCc1cnccn1)C[C@H]1CCC[NH2+]C1 ZINC000262023493 135274024 /nfs/dbraw/zinc/27/40/24/135274024.db2.gz WLDINCRQABYLJK-LBPRGKRZSA-N 2 0 234.347 0.951 20 0 BCADRP CN(C)[C@H](C(=O)NCC1C[NH2+]C1)c1ccccc1 ZINC000262029091 135274175 /nfs/dbraw/zinc/27/41/75/135274175.db2.gz NWPRNFGWMMTUNX-ZDUSSCGKSA-N 2 0 247.342 0.625 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CCC[NH2+]C1)[NH+](CC)CC ZINC000262039370 135274695 /nfs/dbraw/zinc/27/46/95/135274695.db2.gz RKKRBYISKHHQFE-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1C[NH2+]C1 ZINC000262034111 135274935 /nfs/dbraw/zinc/27/49/35/135274935.db2.gz PPMFERHAJHLDKB-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP CS(=O)(=O)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000262048634 135276047 /nfs/dbraw/zinc/27/60/47/135276047.db2.gz ZHSSZZGPJFCJJG-NSHDSACASA-N 2 0 246.376 0.105 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000262166998 135282983 /nfs/dbraw/zinc/28/29/83/135282983.db2.gz UMOLVRXRLRLZBZ-OPRDCNLKSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262178068 135283738 /nfs/dbraw/zinc/28/37/38/135283738.db2.gz WFMOUWWEYKYKMI-AGIUHOORSA-N 2 0 223.364 0.622 20 0 BCADRP COc1ccccc1[C@@H]1C[NH2+]CCN1C[C@@H](C)[NH3+] ZINC000262177760 135283847 /nfs/dbraw/zinc/28/38/47/135283847.db2.gz IKHKMLUSXKLPLC-YPMHNXCESA-N 2 0 249.358 0.989 20 0 BCADRP COc1ccccc1[C@@H]1C[NH2+]CCN1CC[NH3+] ZINC000262222142 135286124 /nfs/dbraw/zinc/28/61/24/135286124.db2.gz MTBQXYLDSDXXML-LBPRGKRZSA-N 2 0 235.331 0.600 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C2C[NH2+]C2)C1 ZINC000262240977 135287537 /nfs/dbraw/zinc/28/75/37/135287537.db2.gz NXYCPEIDUXFGQI-LLVKDONJSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262266795 135288687 /nfs/dbraw/zinc/28/86/87/135288687.db2.gz RZFKCVWEAAEDQT-WDEREUQCSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262265179 135288712 /nfs/dbraw/zinc/28/87/12/135288712.db2.gz RTAWDPXEXQDVHR-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)(C)[C@H]([NH2+]CC1CC[NH2+]CC1)C(N)=O ZINC000262272375 135289304 /nfs/dbraw/zinc/28/93/04/135289304.db2.gz SQOPEUVNUNEINU-SNVBAGLBSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]1C ZINC000262280644 135289910 /nfs/dbraw/zinc/28/99/10/135289910.db2.gz ZGGZRZRPJXAACS-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]CCC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000262304521 135292206 /nfs/dbraw/zinc/29/22/06/135292206.db2.gz CAKGYDYCTQQQNE-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC1=[NH+]CCCN1 ZINC000262329370 135293260 /nfs/dbraw/zinc/29/32/60/135293260.db2.gz UVZPTKQODSXFDS-NSHDSACASA-N 2 0 224.352 0.800 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000262349089 135294307 /nfs/dbraw/zinc/29/43/07/135294307.db2.gz ITTVZBIRZWLGKM-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+]CCC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000262392093 135298488 /nfs/dbraw/zinc/29/84/88/135298488.db2.gz OHTHXYKEMAWVKR-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000262394731 135298493 /nfs/dbraw/zinc/29/84/93/135298493.db2.gz OSIOCCSSRVXYOR-IJLUTSLNSA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+]C1(C(=O)NCC[C@H]2CC[NH2+]C2)CCCCC1 ZINC000262447204 135299608 /nfs/dbraw/zinc/29/96/08/135299608.db2.gz PNMAKLHIJFCLJU-LLVKDONJSA-N 2 0 239.363 0.764 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262461104 135300149 /nfs/dbraw/zinc/30/01/49/135300149.db2.gz VWKQUJFFQDJPBX-MXWKQRLJSA-N 2 0 225.336 0.243 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000262451547 135300575 /nfs/dbraw/zinc/30/05/75/135300575.db2.gz JXSNPCCRGUYVAL-GMTAPVOTSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262478126 135302042 /nfs/dbraw/zinc/30/20/42/135302042.db2.gz ZEPWZPJALHTSMD-BXKDBHETSA-N 2 0 233.315 0.337 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000262487442 135302703 /nfs/dbraw/zinc/30/27/03/135302703.db2.gz VGWOXUGAFHBNNT-CKYFFXLPSA-N 2 0 229.368 0.849 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000262497606 135302741 /nfs/dbraw/zinc/30/27/41/135302741.db2.gz XDJGSZDCKNYHBO-DGCLKSJQSA-N 2 0 249.358 0.671 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000262543386 135304749 /nfs/dbraw/zinc/30/47/49/135304749.db2.gz XRZPETAEKHHXIS-QWRGUYRKSA-N 2 0 227.352 0.380 20 0 BCADRP C[C@H](CC(=O)N(C)[C@@H](C)C[NH3+])[C@H]1CCC[NH2+]C1 ZINC000262590400 135307294 /nfs/dbraw/zinc/30/72/94/135307294.db2.gz BCJMSAAVLPYXNJ-WOPDTQHZSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000262613206 135309034 /nfs/dbraw/zinc/30/90/34/135309034.db2.gz FPWAABDUCHDYEE-WZRBSPASSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342746018 135311173 /nfs/dbraw/zinc/31/11/73/135311173.db2.gz VEVLQBVWECOOAC-ZWNOBZJWSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC000342751642 135311302 /nfs/dbraw/zinc/31/13/02/135311302.db2.gz OBRXCUBJSBBHBU-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)C[C@@H](C)[NH2+]1 ZINC000342751265 135311342 /nfs/dbraw/zinc/31/13/42/135311342.db2.gz NNYDTAWPWJKOGC-WISYIIOYSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000342750101 135311368 /nfs/dbraw/zinc/31/13/68/135311368.db2.gz KZMQOZGMBASDDG-FIQHERPVSA-N 2 0 239.363 0.618 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342746859 135311442 /nfs/dbraw/zinc/31/14/42/135311442.db2.gz VTJZTWMGEBPNBR-CMPLNLGQSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@]1(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000342712558 135314148 /nfs/dbraw/zinc/31/41/48/135314148.db2.gz AAMOLERYDWHQPE-GVXVVHGQSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000342721113 135314304 /nfs/dbraw/zinc/31/43/04/135314304.db2.gz SPPSKXSWYLMGPP-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000342723085 135314384 /nfs/dbraw/zinc/31/43/84/135314384.db2.gz CEIZLOWGVRZDCJ-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@]2(C)CCCC[NH2+]2)CC[NH2+]1 ZINC000262787160 135317901 /nfs/dbraw/zinc/31/79/01/135317901.db2.gz CUBWSNLBXHDGHC-MDZLAQPJSA-N 2 0 239.363 0.775 20 0 BCADRP C[NH2+]CCCC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000262781449 135318204 /nfs/dbraw/zinc/31/82/04/135318204.db2.gz YCBJAEPIHIBGKO-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000263006468 135326868 /nfs/dbraw/zinc/32/68/68/135326868.db2.gz PHDPHFLJZRELIR-WCQYABFASA-N 2 0 239.363 0.716 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000263197143 135338810 /nfs/dbraw/zinc/33/88/10/135338810.db2.gz IOZMSOZQJQRIOR-LOWVWBTDSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C1C[NH2+]C1 ZINC000164474341 135345297 /nfs/dbraw/zinc/34/52/97/135345297.db2.gz PQBYOKNTKILGRZ-KOLCDFICSA-N 2 0 237.347 0.195 20 0 BCADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCC[N@H+](C)C1 ZINC000334340481 135363916 /nfs/dbraw/zinc/36/39/16/135363916.db2.gz HIZPZXJENIVUOS-NEPJUHHUSA-N 2 0 239.363 0.491 20 0 BCADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000334340486 135363973 /nfs/dbraw/zinc/36/39/73/135363973.db2.gz HIZPZXJENIVUOS-VXGBXAGGSA-N 2 0 239.363 0.491 20 0 BCADRP CC(C)[C@@H](C(=O)N1CCC[N@H+](C)CC1)[NH+](C)C ZINC000334381978 135381416 /nfs/dbraw/zinc/38/14/16/135381416.db2.gz KBAGYQMDCUQXAE-LBPRGKRZSA-N 2 0 241.379 0.737 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000081000480 135385312 /nfs/dbraw/zinc/38/53/12/135385312.db2.gz MULXAGHXFGVOBY-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000334410780 135392364 /nfs/dbraw/zinc/39/23/64/135392364.db2.gz MVSUEZJYNOCLQO-ZYHUDNBSSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH2+]CCC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000334431392 135402066 /nfs/dbraw/zinc/40/20/66/135402066.db2.gz KOCXZDYFMNZWNY-UHFFFAOYSA-N 2 0 239.363 0.588 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)C1CC[NH2+]CC1 ZINC000334432280 135405071 /nfs/dbraw/zinc/40/50/71/135405071.db2.gz LESASZCUOWPZPN-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(C)(C)C[NH3+] ZINC000335608318 135417085 /nfs/dbraw/zinc/41/70/85/135417085.db2.gz XVPLIEHGIUBFIB-IUCAKERBSA-N 2 0 213.325 0.086 20 0 BCADRP CC(C)(C)[NH+]1CCC(NC2C[NH2+]C2)CC1 ZINC000084418470 135471603 /nfs/dbraw/zinc/47/16/03/135471603.db2.gz HOTLCFGXVJRDAB-UHFFFAOYSA-N 2 0 211.353 0.811 20 0 BCADRP C[NH+]1CCC(CNC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000089747447 135541117 /nfs/dbraw/zinc/54/11/17/135541117.db2.gz WPOASUGCIUULSV-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC000344686342 135788689 /nfs/dbraw/zinc/78/86/89/135788689.db2.gz BXJWNZRJQKMKKF-SNVBAGLBSA-N 2 0 227.352 0.395 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)NCC1([NH3+])CCC1 ZINC000334933603 135845029 /nfs/dbraw/zinc/84/50/29/135845029.db2.gz VRDBMDGGAICNPH-JTQLQIEISA-N 2 0 240.351 0.391 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000334943942 135847402 /nfs/dbraw/zinc/84/74/02/135847402.db2.gz KZUNOIBTWXULMB-UWVGGRQHSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)CC2(C[NH3+])CC2)[C@H]1C ZINC000335044562 135872462 /nfs/dbraw/zinc/87/24/62/135872462.db2.gz KTUWLCBVKCCYEX-UWVGGRQHSA-N 2 0 225.336 0.324 20 0 BCADRP O=C(C1CC[NH2+]CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000335228387 135963137 /nfs/dbraw/zinc/96/31/37/135963137.db2.gz IFTBZUFHLIBSIZ-LBPRGKRZSA-N 2 0 237.347 0.339 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000335184906 135965958 /nfs/dbraw/zinc/96/59/58/135965958.db2.gz AOQFDIRYTOEJDL-VXGBXAGGSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000366964949 135985667 /nfs/dbraw/zinc/98/56/67/135985667.db2.gz YQRWGXQSRXSRKH-YTWAJWBKSA-N 2 0 243.326 0.272 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000347630140 135992498 /nfs/dbraw/zinc/99/24/98/135992498.db2.gz OVEPDLRWEJJSSW-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000347654176 136001519 /nfs/dbraw/zinc/00/15/19/136001519.db2.gz NDODYNJMQCYJSI-VWYCJHECSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@@H]([NH3+])CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335297393 136006717 /nfs/dbraw/zinc/00/67/17/136006717.db2.gz AEVVHKAOOVIEHB-KOLCDFICSA-N 2 0 205.305 0.724 20 0 BCADRP Cc1ccnc(N2CCN3CCOC[C@H]3C2)c1 ZINC000347889769 136015192 /nfs/dbraw/zinc/01/51/92/136015192.db2.gz XKSLTRINILDALO-GFCCVEGCSA-N 2 0 233.315 0.911 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000335322150 136049991 /nfs/dbraw/zinc/04/99/91/136049991.db2.gz QDESBHKSVFOERX-MWLCHTKSSA-N 2 0 225.336 0.182 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000335345219 136065861 /nfs/dbraw/zinc/06/58/61/136065861.db2.gz LVMCMMLRGOUWQJ-MNOVXSKESA-N 2 0 239.363 0.572 20 0 BCADRP CN(C(=O)[C@H]1CC12CC[NH2+]CC2)C1CC([NH3+])C1 ZINC000335345080 136066022 /nfs/dbraw/zinc/06/60/22/136066022.db2.gz IHZAISQNNZVRCW-VQXHTEKXSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000335347055 136066921 /nfs/dbraw/zinc/06/69/21/136066921.db2.gz QYVCVBGXKPVPEM-VHSXEESVSA-N 2 0 225.336 0.502 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)NCC[NH3+])CC1 ZINC000335354702 136070481 /nfs/dbraw/zinc/07/04/81/136070481.db2.gz BFTTYJUGXWUAHI-UHFFFAOYSA-N 2 0 228.340 0.071 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)NCC(C)(C)[NH3+])C1 ZINC000335354878 136071005 /nfs/dbraw/zinc/07/10/05/136071005.db2.gz BYRPNTGKPXFQCN-JTQLQIEISA-N 2 0 242.367 0.459 20 0 BCADRP [NH3+]CCCN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335358403 136075046 /nfs/dbraw/zinc/07/50/46/136075046.db2.gz PCIOKMUBQGHZFA-NSHDSACASA-N 2 0 205.305 0.725 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)NCC(C)(C)[NH3+])[C@@H]1C ZINC000335361649 136080961 /nfs/dbraw/zinc/08/09/61/136080961.db2.gz UCDWFLLPGSWDLW-RKDXNWHRSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCC(C)(C)[NH3+] ZINC000335361720 136081275 /nfs/dbraw/zinc/08/12/75/136081275.db2.gz WFRKPLFWBSPZHZ-DTWKUNHWSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335368194 136081929 /nfs/dbraw/zinc/08/19/29/136081929.db2.gz TWWZXZBCLFOKDB-VHSXEESVSA-N 2 0 242.367 0.506 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC([NH3+])CC1)[C@H](C)[NH3+] ZINC000335378584 136086455 /nfs/dbraw/zinc/08/64/55/136086455.db2.gz DIEIEZZMBPHNEH-ONGXEEELSA-N 2 0 227.352 0.556 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000335379131 136087116 /nfs/dbraw/zinc/08/71/16/136087116.db2.gz HFDGQGIJEJNPOU-ONGXEEELSA-N 2 0 225.336 0.243 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000335386017 136089049 /nfs/dbraw/zinc/08/90/49/136089049.db2.gz LWKCXZIRDBGSEW-ZYHUDNBSSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000335393023 136091441 /nfs/dbraw/zinc/09/14/41/136091441.db2.gz AFPLHDKHBTWCTB-LLVKDONJSA-N 2 0 223.320 0.080 20 0 BCADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C[NH3+])CC1 ZINC000335393391 136091663 /nfs/dbraw/zinc/09/16/63/136091663.db2.gz CGQKJJLTVDFMBL-NSHDSACASA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[NH2+]1 ZINC000335393888 136091915 /nfs/dbraw/zinc/09/19/15/136091915.db2.gz AJNUSDXBGONXDX-NSHDSACASA-N 2 0 237.347 0.435 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000335395776 136092423 /nfs/dbraw/zinc/09/24/23/136092423.db2.gz KJBSXULNJMXPBQ-ONGXEEELSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](C(=O)N(C)C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335395903 136092679 /nfs/dbraw/zinc/09/26/79/136092679.db2.gz MWCRHPJCGNDXLO-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](C(N)=O)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335397701 136092837 /nfs/dbraw/zinc/09/28/37/136092837.db2.gz VELYIWUDQXHTKR-SECBINFHSA-N 2 0 211.309 0.986 20 0 BCADRP O=C1NCC[C@H]1[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000335397761 136092940 /nfs/dbraw/zinc/09/29/40/136092940.db2.gz YAIZTXVOFXRLQK-NWDGAFQWSA-N 2 0 237.347 0.196 20 0 BCADRP CNC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000335397754 136093158 /nfs/dbraw/zinc/09/31/58/136093158.db2.gz XHFVBNXWOGZJRN-LLVKDONJSA-N 2 0 225.336 0.054 20 0 BCADRP C[C@@H]1CN(C(=O)CC2(C[NH3+])CC2)C[C@H](C)[NH2+]1 ZINC000335567485 136108090 /nfs/dbraw/zinc/10/80/90/136108090.db2.gz YGMBDWXQKDCAQO-AOOOYVTPSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1CCNC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335570980 136109053 /nfs/dbraw/zinc/10/90/53/136109053.db2.gz WURPFRCLPMHICP-NWDGAFQWSA-N 2 0 225.380 0.964 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000390432903 397889287 /nfs/dbraw/zinc/88/92/87/397889287.db2.gz QKRCCQSNBKMVEX-PSASIEDQSA-N 2 0 207.277 0.150 20 0 BCADRP CC[C@]1(C(=O)NCCC[NH2+]C)CC[NH2+]C1 ZINC000119221528 397882979 /nfs/dbraw/zinc/88/29/79/397882979.db2.gz AEAQIZLOSKVRNI-NSHDSACASA-N 2 0 213.325 0.102 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000647697711 397930201 /nfs/dbraw/zinc/93/02/01/397930201.db2.gz CYEOWWYEXDTNQM-IJLUTSLNSA-N 2 0 239.363 0.442 20 0 BCADRP NC(=O)C1(c2ccccc2)CCN(CC[NH3+])CC1 ZINC000647885975 397930815 /nfs/dbraw/zinc/93/08/15/397930815.db2.gz YLFOKQNCPVPJDV-UHFFFAOYSA-N 2 0 247.342 0.464 20 0 BCADRP CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[NH2+]C ZINC000370768136 397941929 /nfs/dbraw/zinc/94/19/29/397941929.db2.gz YMPWUUVPALFSLM-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000054337788 397947481 /nfs/dbraw/zinc/94/74/81/397947481.db2.gz NUCLXOJFYOWWGA-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP C[C@@]1(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CCC[NH2+]C1 ZINC000446360055 397947563 /nfs/dbraw/zinc/94/75/63/397947563.db2.gz OIHBPECQXZLMPS-HOSYDEDBSA-N 2 0 243.326 0.192 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)c1ccc(C[NH3+])o1 ZINC000390552891 397895838 /nfs/dbraw/zinc/89/58/38/397895838.db2.gz PLCVUDRHTHLWEI-SSDOTTSWSA-N 2 0 211.265 0.205 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000054133123 397903492 /nfs/dbraw/zinc/90/34/92/397903492.db2.gz PNRDMHARSQSOFM-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)CC[N@@H+]1C ZINC000648128184 397924727 /nfs/dbraw/zinc/92/47/27/397924727.db2.gz HSKQFMDVQHOTQV-DDHJBXDOSA-N 2 0 239.363 0.583 20 0 BCADRP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372909972 398007724 /nfs/dbraw/zinc/00/77/24/398007724.db2.gz HWLGOJFLKYKOFL-SRVKXCTJSA-N 2 0 237.347 0.339 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000365094611 398023127 /nfs/dbraw/zinc/02/31/27/398023127.db2.gz OSRMJPSPWVUVSM-NHCYSSNCSA-N 2 0 225.336 0.454 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000037643469 398023721 /nfs/dbraw/zinc/02/37/21/398023721.db2.gz GMMJRYOEPXPMCZ-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637807855 398023979 /nfs/dbraw/zinc/02/39/79/398023979.db2.gz PSRZVHBIJWLRNH-DLOVCJGASA-N 2 0 237.347 0.762 20 0 BCADRP C[C@@H]1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)[C@H]1C[NH3+] ZINC000637847941 398029637 /nfs/dbraw/zinc/02/96/37/398029637.db2.gz QATIXKODIXRCIP-USWWRNFRSA-N 2 0 237.347 0.620 20 0 BCADRP CC(C)([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000169811086 398031732 /nfs/dbraw/zinc/03/17/32/398031732.db2.gz FVLJVYLWGBKXCZ-UHFFFAOYSA-N 2 0 207.277 0.821 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC000637863179 398032262 /nfs/dbraw/zinc/03/22/62/398032262.db2.gz VDAXXNPADJSVEP-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418316758 398032832 /nfs/dbraw/zinc/03/28/32/398032832.db2.gz ZRXUVFZSERHMJO-GHMZBOCLSA-N 2 0 242.367 0.413 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@](C)(O)C1 ZINC000383687779 398034482 /nfs/dbraw/zinc/03/44/82/398034482.db2.gz SEZGRKJIFLRHPC-OLZOCXBDSA-N 2 0 244.379 0.534 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCCC1CC[NH+](C)CC1 ZINC000083911661 398036687 /nfs/dbraw/zinc/03/66/87/398036687.db2.gz JGULSFBKHUQREA-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000564726872 398039088 /nfs/dbraw/zinc/03/90/88/398039088.db2.gz NEVMUPTWLCZFRT-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP COC(C)(C)C[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000382749346 397971980 /nfs/dbraw/zinc/97/19/80/397971980.db2.gz CZVWWFQTKVJMAC-JTQLQIEISA-N 2 0 200.326 0.953 20 0 BCADRP CN(CC(=O)NC(C)(C)C)C[C@@H]1CC[NH2+]C1 ZINC000382754703 397972005 /nfs/dbraw/zinc/97/20/05/397972005.db2.gz MGMFBFMZCVQWCY-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP C[N@H+](CCn1cccn1)C[C@@H]1CC[NH2+]C1 ZINC000382747401 397972226 /nfs/dbraw/zinc/97/22/26/397972226.db2.gz ABDDAOSPYKIMGD-LLVKDONJSA-N 2 0 208.309 0.424 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC[N@H+](C)C(C)C ZINC000638096252 398075674 /nfs/dbraw/zinc/07/56/74/398075674.db2.gz GOBUTZXOXVNUHO-JTQLQIEISA-N 2 0 215.341 0.441 20 0 BCADRP CC[NH+]1CCC(NC(=O)/C=C/C[NH+](C)C)CC1 ZINC000491853238 398075669 /nfs/dbraw/zinc/07/56/69/398075669.db2.gz UZSZHCJHGLGZGJ-AATRIKPKSA-N 2 0 239.363 0.705 20 0 BCADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000289315377 398085780 /nfs/dbraw/zinc/08/57/80/398085780.db2.gz UDKYKRCNECYJLL-UHTWSYAYSA-N 2 0 247.342 0.505 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000289315379 398085829 /nfs/dbraw/zinc/08/58/29/398085829.db2.gz UDKYKRCNECYJLL-WXHSDQCUSA-N 2 0 247.342 0.505 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000128928330 398099017 /nfs/dbraw/zinc/09/90/17/398099017.db2.gz GTXGRFZNJJHLGE-KKZNHRDASA-N 2 0 229.299 0.074 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)CCCC[NH3+] ZINC000638490023 398101317 /nfs/dbraw/zinc/10/13/17/398101317.db2.gz STRQWAZCMGSIFP-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+]CC1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000389644143 398117343 /nfs/dbraw/zinc/11/73/43/398117343.db2.gz RXBVKPHEVLTGHR-UHFFFAOYSA-N 2 0 208.309 0.623 20 0 BCADRP C[C@]1(C(=O)NC[C@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000237764135 398112502 /nfs/dbraw/zinc/11/25/02/398112502.db2.gz DIMJAUIHROIXBG-AAEUAGOBSA-N 2 0 239.363 0.492 20 0 BCADRP c1cc2nccc(NC[C@H]3COCC[NH2+]3)c2cn1 ZINC000630531578 398131824 /nfs/dbraw/zinc/13/18/24/398131824.db2.gz BYYDFEVFPDZUMT-JTQLQIEISA-N 2 0 244.298 0.452 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000237841051 398132227 /nfs/dbraw/zinc/13/22/27/398132227.db2.gz INUVMVXCANXLIV-QWHCGFSZSA-N 2 0 245.326 0.261 20 0 BCADRP Cc1c(CN[C@H](C)[C@H]2CCC[NH2+]2)cnn1C ZINC000400639221 398135055 /nfs/dbraw/zinc/13/50/55/398135055.db2.gz NPFIVROPWWPRLS-BXKDBHETSA-N 2 0 222.336 0.959 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000037816827 167098171 /nfs/dbraw/zinc/09/81/71/167098171.db2.gz IZXHTVUQANRVKP-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@]1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCO1 ZINC000094801858 487558768 /nfs/dbraw/zinc/55/87/68/487558768.db2.gz IAIQWBCLZXZBGI-OLZOCXBDSA-N 2 0 242.363 0.602 20 0 BCADRP C[C@@]1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CCCO1 ZINC000094801856 487558964 /nfs/dbraw/zinc/55/89/64/487558964.db2.gz IAIQWBCLZXZBGI-STQMWFEESA-N 2 0 242.363 0.602 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000037609838 487560137 /nfs/dbraw/zinc/56/01/37/487560137.db2.gz PAZIFDCNUBBRAR-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)CCCC[NH3+] ZINC000227833458 487560158 /nfs/dbraw/zinc/56/01/58/487560158.db2.gz WQMFIXHILASDML-NSHDSACASA-N 2 0 229.368 0.962 20 0 BCADRP C[NH+](C)C1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000037612333 487561137 /nfs/dbraw/zinc/56/11/37/487561137.db2.gz FIPJTNGNYSBSEJ-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH+](C)CCCCNC(=O)CC1([NH3+])CCC1 ZINC000086853513 487567879 /nfs/dbraw/zinc/56/78/79/487567879.db2.gz RFEXDIGELPZMEA-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP [NH3+]C1(CC(=O)NCC[NH+]2CCCC2)CCC1 ZINC000086853244 487570225 /nfs/dbraw/zinc/57/02/25/487570225.db2.gz VPEIFKAYMBVIAY-UHFFFAOYSA-N 2 0 225.336 0.470 20 0 BCADRP C[C@@H]1CN(C(=O)CC(C)(C)[NH3+])[C@@H](C)C[NH2+]1 ZINC000393768863 487579991 /nfs/dbraw/zinc/57/99/91/487579991.db2.gz DJEIIWQQMMDNBJ-BDAKNGLRSA-N 2 0 213.325 0.323 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000082241603 487580359 /nfs/dbraw/zinc/58/03/59/487580359.db2.gz MHOIBQXMLYTPRU-NSHDSACASA-N 2 0 225.336 0.293 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000565539961 322916037 /nfs/dbraw/zinc/91/60/37/322916037.db2.gz RWWVGVVQIZCLHO-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP CC(=O)N[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000228271795 487603532 /nfs/dbraw/zinc/60/35/32/487603532.db2.gz HREWKGKPORBDKE-ZDUSSCGKSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000674690142 487606571 /nfs/dbraw/zinc/60/65/71/487606571.db2.gz UZLRFSMLJGRFLJ-GARJFASQSA-N 2 0 239.363 0.678 20 0 BCADRP COCC[N@H+](C)C[C@@H](O)CN1CC(C)(C)C1 ZINC000309762543 487609220 /nfs/dbraw/zinc/60/92/20/487609220.db2.gz FBYXKDJYBFEVGC-LLVKDONJSA-N 2 0 230.352 0.267 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000662266889 409568192 /nfs/dbraw/zinc/56/81/92/409568192.db2.gz QBOMEPHDPYRKOA-AXFHLTTASA-N 2 0 225.336 0.276 20 0 BCADRP CCCN(C[C@H]1C[NH2+]CCO1)[C@H]1CC[NH2+]C1 ZINC000662244097 409535458 /nfs/dbraw/zinc/53/54/58/409535458.db2.gz BQGPSPBLSZFVLQ-NWDGAFQWSA-N 2 0 227.352 0.049 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CNCCO2)CC1 ZINC000662245227 409539255 /nfs/dbraw/zinc/53/92/55/409539255.db2.gz JFOYTLAAOFQPPK-JQWIXIFHSA-N 2 0 227.352 0.034 20 0 BCADRP C[C@H]1CSCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254125 409553043 /nfs/dbraw/zinc/55/30/43/409553043.db2.gz FZUYUTFCOWSUFW-QWRGUYRKSA-N 2 0 242.388 0.945 20 0 BCADRP [NH3+]CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662389822 409692344 /nfs/dbraw/zinc/69/23/44/409692344.db2.gz DWXFBJYZMHCADC-NSHDSACASA-N 2 0 219.288 0.296 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C[C@@H](C[NH3+])CC(C)C)C1 ZINC000662395968 409696893 /nfs/dbraw/zinc/69/68/93/409696893.db2.gz NJOHLXLCYYICAL-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662409087 409700705 /nfs/dbraw/zinc/70/07/05/409700705.db2.gz GXHCBTVJKMKVAK-CYBMUJFWSA-N 2 0 247.342 0.947 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662409088 409702232 /nfs/dbraw/zinc/70/22/32/409702232.db2.gz GXHCBTVJKMKVAK-ZDUSSCGKSA-N 2 0 247.342 0.947 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662423591 409708829 /nfs/dbraw/zinc/70/88/29/409708829.db2.gz NTWJERXICMDATN-UWVGGRQHSA-N 2 0 227.352 0.474 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662387912 409690214 /nfs/dbraw/zinc/69/02/14/409690214.db2.gz MFAMJLFEXHORPB-SNVBAGLBSA-N 2 0 237.347 0.611 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000662515532 409742710 /nfs/dbraw/zinc/74/27/10/409742710.db2.gz VUFJITSQAUBIQQ-DCAQKATOSA-N 2 0 225.336 0.147 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000662556573 409757383 /nfs/dbraw/zinc/75/73/83/409757383.db2.gz ASNORQOKJNMLHU-KXUCPTDWSA-N 2 0 213.325 0.099 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000662580905 409767432 /nfs/dbraw/zinc/76/74/32/409767432.db2.gz DMVZGXNUFXHNHH-GVXVVHGQSA-N 2 0 239.363 0.572 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000653112893 409822196 /nfs/dbraw/zinc/82/21/96/409822196.db2.gz MFJVKUYQFMPUKA-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653113074 409823887 /nfs/dbraw/zinc/82/38/87/409823887.db2.gz SDYKTOARVPSJIX-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000653135575 409855071 /nfs/dbraw/zinc/85/50/71/409855071.db2.gz ISHZEBVXBLPWQV-WOPDTQHZSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000662688894 409835820 /nfs/dbraw/zinc/83/58/20/409835820.db2.gz QQQJAWHIBMDOLP-GMTAPVOTSA-N 2 0 225.336 0.180 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662692237 409841306 /nfs/dbraw/zinc/84/13/06/409841306.db2.gz NBRTZNWWMNCGQN-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662692241 409841577 /nfs/dbraw/zinc/84/15/77/409841577.db2.gz NBRTZNWWMNCGQN-GMTAPVOTSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CCC1 ZINC000653129195 409844910 /nfs/dbraw/zinc/84/49/10/409844910.db2.gz ZBGBYVCJBAUVLP-MNOVXSKESA-N 2 0 237.347 0.515 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653136424 409856904 /nfs/dbraw/zinc/85/69/04/409856904.db2.gz OUCZAIUDGUVCAS-ADEWGFFLSA-N 2 0 239.363 0.631 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653130828 409846643 /nfs/dbraw/zinc/84/66/43/409846643.db2.gz CDXQEXXFHJLDSU-CHWSQXEVSA-N 2 0 249.358 0.553 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653131297 409846659 /nfs/dbraw/zinc/84/66/59/409846659.db2.gz DUWNWDHBEKWYJG-WOPDTQHZSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC[NH2+]1 ZINC000653133762 409852774 /nfs/dbraw/zinc/85/27/74/409852774.db2.gz ZUXYMVPUSZNUTL-WCQGTBRESA-N 2 0 237.347 0.337 20 0 BCADRP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000653136759 409856018 /nfs/dbraw/zinc/85/60/18/409856018.db2.gz DKUCIULNYRMZBK-XQHKEYJVSA-N 2 0 249.358 0.195 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662635426 409805901 /nfs/dbraw/zinc/80/59/01/409805901.db2.gz VNJBTFKRRPAMGV-BDAKNGLRSA-N 2 0 201.314 0.051 20 0 BCADRP C[C@H](CCNC(=O)C[NH2+]C1CC1)[NH+](C)C ZINC000662636463 409806708 /nfs/dbraw/zinc/80/67/08/409806708.db2.gz YSCWTKJPKJZYFB-SECBINFHSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662647731 409811414 /nfs/dbraw/zinc/81/14/14/409811414.db2.gz CLLMTCPIWGSXQJ-ZJUUUORDSA-N 2 0 225.336 0.372 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000662703907 409854697 /nfs/dbraw/zinc/85/46/97/409854697.db2.gz QBWIZFGYHUQASL-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000215297827 409907627 /nfs/dbraw/zinc/90/76/27/409907627.db2.gz UDJJRWIBLOXJGR-DGCLKSJQSA-N 2 0 239.363 0.729 20 0 BCADRP [NH3+]CC[C@H](NC(=O)CC1([NH3+])CC1)C(F)(F)F ZINC000662782734 409912224 /nfs/dbraw/zinc/91/22/24/409912224.db2.gz GRQZZXQGXKKWNG-LURJTMIESA-N 2 0 239.241 0.264 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662782364 409913524 /nfs/dbraw/zinc/91/35/24/409913524.db2.gz JCCRSXCLAWHECK-IUCAKERBSA-N 2 0 225.336 0.500 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000662785780 409919800 /nfs/dbraw/zinc/91/98/00/409919800.db2.gz ZZYCCKIRFITDJQ-IUCAKERBSA-N 2 0 213.325 0.241 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653145055 409866670 /nfs/dbraw/zinc/86/66/70/409866670.db2.gz WRKXDLFJBFUWIR-IVZWLZJFSA-N 2 0 213.325 0.357 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662717709 409868869 /nfs/dbraw/zinc/86/88/69/409868869.db2.gz CNXKHGIOAJOJNB-PCQVFGIUSA-N 2 0 237.347 0.243 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653144853 409868963 /nfs/dbraw/zinc/86/89/63/409868963.db2.gz JIYOOOJFJLVSJQ-AXFHLTTASA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000653146976 409871511 /nfs/dbraw/zinc/87/15/11/409871511.db2.gz IUABEFJZGGEMTK-WRWGMCAJSA-N 2 0 239.363 0.748 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000662731092 409876515 /nfs/dbraw/zinc/87/65/15/409876515.db2.gz XZBQFAVGXOILAD-SFYZADRCSA-N 2 0 237.294 0.459 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000662771298 409893704 /nfs/dbraw/zinc/89/37/04/409893704.db2.gz WWXPKHAVTDMCNC-GARJFASQSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)[NH+](C)C ZINC000662859124 409957678 /nfs/dbraw/zinc/95/76/78/409957678.db2.gz KCRSXNATCXDHRP-UTUOFQBUSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000087128329 487611688 /nfs/dbraw/zinc/61/16/88/487611688.db2.gz GWPAPZQOZQQWGC-DCAQKATOSA-N 2 0 212.337 0.830 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000662821812 409934597 /nfs/dbraw/zinc/93/45/97/409934597.db2.gz GWFUVCADXIGVQB-OLZOCXBDSA-N 2 0 247.342 0.889 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662839454 409949247 /nfs/dbraw/zinc/94/92/47/409949247.db2.gz QPRWLDURWSQYMO-WOPDTQHZSA-N 2 0 239.363 0.857 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662839426 409949602 /nfs/dbraw/zinc/94/96/02/409949602.db2.gz QPRWLDURWSQYMO-GRYCIOLGSA-N 2 0 239.363 0.857 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662968193 409999092 /nfs/dbraw/zinc/99/90/92/409999092.db2.gz GOCMIKOIHRTRKI-INTQDDNPSA-N 2 0 225.336 0.241 20 0 BCADRP COC[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251597064 487613274 /nfs/dbraw/zinc/61/32/74/487613274.db2.gz CZCLMYYWEKXIQA-GMTAPVOTSA-N 2 0 200.326 0.938 20 0 BCADRP CC(C)([NH3+])CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000309301226 410089694 /nfs/dbraw/zinc/08/96/94/410089694.db2.gz UBINYXNDPNLCDQ-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653162943 410106540 /nfs/dbraw/zinc/10/65/40/410106540.db2.gz WBLWNYKYGOCKNQ-IXLVHKGHSA-N 2 0 237.347 0.465 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653162885 410106564 /nfs/dbraw/zinc/10/65/64/410106564.db2.gz QPURVWCGWKBCJW-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653167024 410133776 /nfs/dbraw/zinc/13/37/76/410133776.db2.gz FQPKOXZCKYLDAQ-GARJFASQSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000653169417 410137592 /nfs/dbraw/zinc/13/75/92/410137592.db2.gz POZBYKCCAYFRTC-KIENENRBSA-N 2 0 239.363 0.700 20 0 BCADRP O=C(NC1CC[NH2+]CC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655411176 410212741 /nfs/dbraw/zinc/21/27/41/410212741.db2.gz PWOPCUKYXYSZPB-YPMHNXCESA-N 2 0 237.347 0.244 20 0 BCADRP CN(C(=O)[C@@H]1C[C@]12CCC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000655415447 410218589 /nfs/dbraw/zinc/21/85/89/410218589.db2.gz NRARZAXXOQLIIS-MDZLAQPJSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCC1(C[NH3+])CC1 ZINC000653221175 410169036 /nfs/dbraw/zinc/16/90/36/410169036.db2.gz LBGGMZVGFOITFA-IUCAKERBSA-N 2 0 213.325 0.215 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653223445 410171140 /nfs/dbraw/zinc/17/11/40/410171140.db2.gz NOQKSSORTCPFCL-LLVKDONJSA-N 2 0 239.294 0.638 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653221333 410171488 /nfs/dbraw/zinc/17/14/88/410171488.db2.gz RVCPVNSJPDJIDX-SECBINFHSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+])[NH+](C)C ZINC000653240276 410181062 /nfs/dbraw/zinc/18/10/62/410181062.db2.gz MBBWBWIXSZAGKF-GRYCIOLGSA-N 2 0 241.379 0.912 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000653240172 410181893 /nfs/dbraw/zinc/18/18/93/410181893.db2.gz KYCLHHFOZZQWKK-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1CC[NH3+] ZINC000653243834 410183238 /nfs/dbraw/zinc/18/32/38/410183238.db2.gz OWQQGHVNZZFQCT-WYUUTHIRSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)[C@H]1CC[NH3+] ZINC000653241226 410183472 /nfs/dbraw/zinc/18/34/72/410183472.db2.gz YTSOCHROQDPQII-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726818 410202445 /nfs/dbraw/zinc/20/24/45/410202445.db2.gz BHRGUWZZGCNCMC-PSASIEDQSA-N 2 0 211.309 0.077 20 0 BCADRP CC1(C(=O)N2CCC(CC[NH3+])CC2)C[NH2+]C1 ZINC000653256284 410237372 /nfs/dbraw/zinc/23/73/72/410237372.db2.gz KIIIRQQHXZHNIS-UHFFFAOYSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC000653256447 410237426 /nfs/dbraw/zinc/23/74/26/410237426.db2.gz KNOANXNRFNTLIH-SECBINFHSA-N 2 0 213.325 0.169 20 0 BCADRP C[C@@H](C(=O)N1CCC(CC[NH3+])CC1)[C@H](C)[NH3+] ZINC000653256436 410237619 /nfs/dbraw/zinc/23/76/19/410237619.db2.gz DPWBWSRLUPNMOT-ZJUUUORDSA-N 2 0 227.352 0.557 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC000653257394 410240315 /nfs/dbraw/zinc/24/03/15/410240315.db2.gz XNFKBHIVVURBLG-GFCCVEGCSA-N 2 0 241.379 0.947 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)CCC[NH3+] ZINC000309160755 410266824 /nfs/dbraw/zinc/26/68/24/410266824.db2.gz YWLDZZVGERJWOB-UHFFFAOYSA-N 2 0 201.314 0.169 20 0 BCADRP [NH3+]Cc1ccc(CNC[C@@]23C[C@@H]2C[NH2+]C3)c(F)c1 ZINC000663496198 410274788 /nfs/dbraw/zinc/27/47/88/410274788.db2.gz DAEKMTKEAJNTMT-TZMCWYRMSA-N 2 0 249.333 0.984 20 0 BCADRP C(N1CCC[C@H]2C[NH2+]C[C@H]21)[C@]12C[C@H]1C[NH2+]C2 ZINC000663495437 410274811 /nfs/dbraw/zinc/27/48/11/410274811.db2.gz XTYFNLIWVCONSM-WUHRBBMRSA-N 2 0 221.348 0.280 20 0 BCADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000663512630 410282519 /nfs/dbraw/zinc/28/25/19/410282519.db2.gz GVQQRLYRZZIEJZ-WHOHXGKFSA-N 3 0 211.353 0.572 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000127621202 410333409 /nfs/dbraw/zinc/33/34/09/410333409.db2.gz RVFKLANAFHPZLP-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP Cn1nccc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712494 410341796 /nfs/dbraw/zinc/34/17/96/410341796.db2.gz GKUIQXXAYUSDTP-UHFFFAOYSA-N 2 0 208.309 0.639 20 0 BCADRP C[C@H](CC(=O)N(C)C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713151 410344734 /nfs/dbraw/zinc/34/47/34/410344734.db2.gz HHHSVBZQPJDVRW-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP CCS(=O)(=O)C[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713785 410345284 /nfs/dbraw/zinc/34/52/84/410345284.db2.gz BSZZTZSRUGWMLC-SNVBAGLBSA-N 2 0 248.392 0.528 20 0 BCADRP CCO[C@@H]1CN(C[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000650714459 410347948 /nfs/dbraw/zinc/34/79/48/410347948.db2.gz GJFMSKPNSDXSMO-YNEHKIRRSA-N 2 0 241.379 0.282 20 0 BCADRP C[C@@H](CO)C1CC[NH+](CCC[NH3+])CC1 ZINC000650715189 410351650 /nfs/dbraw/zinc/35/16/50/410351650.db2.gz TYNJRWJWUJAZDM-JTQLQIEISA-N 2 0 200.326 0.676 20 0 BCADRP CCN(C(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]CC1 ZINC000655453243 410297699 /nfs/dbraw/zinc/29/76/99/410297699.db2.gz HVXYICSSZBEOGM-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000653266450 410306710 /nfs/dbraw/zinc/30/67/10/410306710.db2.gz AFUZJGCAVNRESU-LBPRGKRZSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cnnn1C ZINC000650719585 410358141 /nfs/dbraw/zinc/35/81/41/410358141.db2.gz VHPTXMXHKIQMDP-UHFFFAOYSA-N 2 0 245.330 0.824 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743617 410377277 /nfs/dbraw/zinc/37/72/77/410377277.db2.gz XPOZDAZSUXDYOZ-LPEHRKFASA-N 2 0 213.325 0.357 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000650743003 410378264 /nfs/dbraw/zinc/37/82/64/410378264.db2.gz KDIQQYGKWOERDL-QCNOEVLYSA-N 2 0 228.336 0.650 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650745296 410380597 /nfs/dbraw/zinc/38/05/97/410380597.db2.gz DAJBEQIIALVSEO-MNOVXSKESA-N 2 0 211.353 0.655 20 0 BCADRP CC[C@@H](Cn1cncn1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650746788 410384850 /nfs/dbraw/zinc/38/48/50/410384850.db2.gz LBJWZKCOJXEZKN-NSHDSACASA-N 2 0 237.351 0.775 20 0 BCADRP Cn1cncc1CCC[N@@H+]1CC[C@H](CO)C1 ZINC000314562887 410387232 /nfs/dbraw/zinc/38/72/32/410387232.db2.gz MAUZPUSCCOAJDK-NSHDSACASA-N 2 0 223.320 0.667 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650751812 410395339 /nfs/dbraw/zinc/39/53/39/410395339.db2.gz BVSYNLNGOYQWCF-MRVPVSSYSA-N 2 0 239.294 0.638 20 0 BCADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)C1C[NH2+]C1 ZINC000650761529 410409752 /nfs/dbraw/zinc/40/97/52/410409752.db2.gz BIKIBQTZVNRYPN-SNVBAGLBSA-N 3 0 211.353 0.574 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000565598311 322926813 /nfs/dbraw/zinc/92/68/13/322926813.db2.gz XZLTXFHTGLRXNT-RYUDHWBXSA-N 2 0 239.363 0.444 20 0 BCADRP [NH3+]CCCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000169810923 410464407 /nfs/dbraw/zinc/46/44/07/410464407.db2.gz RFBXYOZRTCDBDZ-CYBMUJFWSA-N 2 0 247.342 0.898 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC[NH2+]1 ZINC000655456460 410507425 /nfs/dbraw/zinc/50/74/25/410507425.db2.gz CESPTWXAKBYCSG-LOWVWBTDSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H]([NH3+])CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000669395540 487617117 /nfs/dbraw/zinc/61/71/17/487617117.db2.gz RXGUBWMYTBVPGK-QWRGUYRKSA-N 2 0 242.367 0.365 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655460749 410574509 /nfs/dbraw/zinc/57/45/09/410574509.db2.gz ALCDBWCUXFDLDD-PWSUYJOCSA-N 2 0 225.336 0.054 20 0 BCADRP [NH3+]C1(C(=O)NCCC2CC[NH2+]CC2)CCC1 ZINC000653272461 410540800 /nfs/dbraw/zinc/54/08/00/410540800.db2.gz OMPYFASJYXNBQM-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000655459378 410553443 /nfs/dbraw/zinc/55/34/43/410553443.db2.gz GLYZUOGOGKWCJJ-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)CC[NH+]1CCCCC1 ZINC000653274911 410554966 /nfs/dbraw/zinc/55/49/66/410554966.db2.gz RVIZMCAFHQEZCU-LLVKDONJSA-N 2 0 227.352 0.526 20 0 BCADRP CN(C(=O)[C@H]1C[C@@]12CCC[NH2+]C2)C1CC([NH3+])C1 ZINC000655465217 410662847 /nfs/dbraw/zinc/66/28/47/410662847.db2.gz CXHWMXFMUWASFX-FFJHZOIPSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655465371 410664169 /nfs/dbraw/zinc/66/41/69/410664169.db2.gz FOTCOCGWQRXIBE-UXCLJVHYSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655465368 410664445 /nfs/dbraw/zinc/66/44/45/410664445.db2.gz FOTCOCGWQRXIBE-GUDRVLHUSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000655465852 410666496 /nfs/dbraw/zinc/66/64/96/410666496.db2.gz PMEDLRWJLKXUIG-MWLCHTKSSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655478945 410713611 /nfs/dbraw/zinc/71/36/11/410713611.db2.gz FFYVUSFJXRKVIQ-AAEUAGOBSA-N 2 0 239.363 0.444 20 0 BCADRP CC[C@@H](O)C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665262140 410734371 /nfs/dbraw/zinc/73/43/71/410734371.db2.gz VDAWNOAPKRAMCT-MROQNXINSA-N 2 0 242.363 0.504 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1nccn1C ZINC000665282712 410761536 /nfs/dbraw/zinc/76/15/36/410761536.db2.gz AHKOLLXBNYZBAZ-QWRGUYRKSA-N 2 0 240.351 0.825 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1nccn1C ZINC000665282713 410761612 /nfs/dbraw/zinc/76/16/12/410761612.db2.gz AHKOLLXBNYZBAZ-WDEREUQCSA-N 2 0 240.351 0.825 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC(C)(C)CCC[NH3+] ZINC000393917040 410768255 /nfs/dbraw/zinc/76/82/55/410768255.db2.gz LDGWUVREKHJZBR-MRVPVSSYSA-N 2 0 201.314 0.215 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000655489139 410795715 /nfs/dbraw/zinc/79/57/15/410795715.db2.gz MPAYMGLIGOUICR-NTZNESFSSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000653298692 410797353 /nfs/dbraw/zinc/79/73/53/410797353.db2.gz BRUYAPLSEDMORG-PWSUYJOCSA-N 2 0 235.331 0.697 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489690 410798880 /nfs/dbraw/zinc/79/88/80/410798880.db2.gz ZJXCIPQFSHIOIE-LPEHRKFASA-N 2 0 213.325 0.038 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000040673755 410885352 /nfs/dbraw/zinc/88/53/52/410885352.db2.gz SGDKZMXRRMPGRH-LLVKDONJSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])C1CC[NH+](C)CC1 ZINC000396476178 410879795 /nfs/dbraw/zinc/87/97/95/410879795.db2.gz WQMSOILUEFCNLN-GARJFASQSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@@H](NC(=O)C(C)(C)[NH3+])C1CC[NH+](C)CC1 ZINC000396441482 410882148 /nfs/dbraw/zinc/88/21/48/410882148.db2.gz UWTDGWFKDWLKCI-SECBINFHSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](NC(=O)CC[NH3+])C1CC[NH+](C)CC1 ZINC000396457494 410882742 /nfs/dbraw/zinc/88/27/42/410882742.db2.gz NWODKSNUHSJSLW-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](C)[NH3+])C1 ZINC000040624517 410883720 /nfs/dbraw/zinc/88/37/20/410883720.db2.gz NHLOCQSWZPDVNU-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](NC(=O)CCC[NH3+])C1CC[NH+](C)CC1 ZINC000396426606 410883812 /nfs/dbraw/zinc/88/38/12/410883812.db2.gz AWQBJDBHGZPHED-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP CC[NH+](CC)CCNC(=O)C1(C[NH3+])CCCC1 ZINC000044752972 169778373 /nfs/dbraw/zinc/77/83/73/169778373.db2.gz GQUPNWFBYOYZFM-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP CC(C)N1CC[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000359298674 167025236 /nfs/dbraw/zinc/02/52/36/167025236.db2.gz FOSQTHAGOSQFIC-UTUOFQBUSA-N 2 0 237.347 0.147 20 0 BCADRP CC(C)OCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000308895828 167215748 /nfs/dbraw/zinc/21/57/48/167215748.db2.gz ZHWBIUXUBRWPAG-RYUDHWBXSA-N 2 0 212.337 0.953 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[NH2+]1 ZINC000041680051 169784555 /nfs/dbraw/zinc/78/45/55/169784555.db2.gz VCBJKHVHWMKRMH-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C[C@@H](C)[NH3+] ZINC000041680173 169784939 /nfs/dbraw/zinc/78/49/39/169784939.db2.gz RZCFOTSYUGGIBW-NXEZZACHSA-N 2 0 215.341 0.570 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C[NH2+]CC1CC1 ZINC000041680044 169786782 /nfs/dbraw/zinc/78/67/82/169786782.db2.gz RXKIHPBSNHOSRO-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)[C@@H](C(=O)N1CCC([NH3+])CC1)[NH+](C)C ZINC000236710657 167342724 /nfs/dbraw/zinc/34/27/24/167342724.db2.gz BNASWDLIUUVANR-NSHDSACASA-N 2 0 227.352 0.522 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H](C[NH3+])C1CC1)[NH+](C)C ZINC000236711402 167344228 /nfs/dbraw/zinc/34/42/28/167344228.db2.gz SELMMFFLMVFTLA-MNOVXSKESA-N 2 0 227.352 0.426 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)[NH+](C)C ZINC000346143969 167345540 /nfs/dbraw/zinc/34/55/40/167345540.db2.gz TVLPLSXPUTXQSK-QWRGUYRKSA-N 2 0 229.368 0.639 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000295334314 167421058 /nfs/dbraw/zinc/42/10/58/167421058.db2.gz ZTSCDYQIQZWYBZ-OLZOCXBDSA-N 2 0 249.358 0.656 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C[C@H](C)[NH3+] ZINC000041680176 410934810 /nfs/dbraw/zinc/93/48/10/410934810.db2.gz RZCFOTSYUGGIBW-UWVGGRQHSA-N 2 0 215.341 0.570 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000309511077 410954971 /nfs/dbraw/zinc/95/49/71/410954971.db2.gz XHZFLDKFGAJMMJ-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000390513373 411064961 /nfs/dbraw/zinc/06/49/61/411064961.db2.gz CKBGOXLVTMAVND-NXEZZACHSA-N 2 0 213.325 0.372 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000309528209 411162984 /nfs/dbraw/zinc/16/29/84/411162984.db2.gz VIEAGUHSWAGAAL-ZJUUUORDSA-N 2 0 213.325 0.100 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000044538842 411137121 /nfs/dbraw/zinc/13/71/21/411137121.db2.gz SOMOVYFBDOJDTF-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH3+])CCCC2)C1 ZINC000044763173 411139751 /nfs/dbraw/zinc/13/97/51/411139751.db2.gz VHAOQSDLHQFTEW-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726827 411139976 /nfs/dbraw/zinc/13/99/76/411139976.db2.gz IEFITJFYOJKWMI-IUCAKERBSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ncn(C)n1 ZINC000400928016 411163734 /nfs/dbraw/zinc/16/37/34/411163734.db2.gz HYSMSCHYSVBIEZ-IRCOFANPSA-N 2 0 249.362 0.854 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655962927 411164030 /nfs/dbraw/zinc/16/40/30/411164030.db2.gz IUOCMUNLFMKXGU-GARJFASQSA-N 2 0 242.367 0.221 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)C)C1CC1 ZINC000119041305 411150046 /nfs/dbraw/zinc/15/00/46/411150046.db2.gz PAECJEZYQYALJT-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000659550930 411155381 /nfs/dbraw/zinc/15/53/81/411155381.db2.gz JQNUJHWENSJNFS-QWRGUYRKSA-N 2 0 242.367 0.426 20 0 BCADRP [NH3+]CCCCC(=O)NCC[NH+]1CCCC1 ZINC000069733032 411159193 /nfs/dbraw/zinc/15/91/93/411159193.db2.gz XJGDVQSYTWEDKH-UHFFFAOYSA-N 2 0 213.325 0.327 20 0 BCADRP C[C@@H](CNC(=O)CCCC[NH3+])[NH+](C)C ZINC000069733571 411159256 /nfs/dbraw/zinc/15/92/56/411159256.db2.gz QYCQOICMJZTRRL-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP OCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000400989612 411168304 /nfs/dbraw/zinc/16/83/04/411168304.db2.gz XKYXAGPYWKHKDO-QJPTWQEYSA-N 2 0 224.348 0.737 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCN1CCCC1=O ZINC000405464380 411172973 /nfs/dbraw/zinc/17/29/73/411172973.db2.gz ZKMNGVSEAASAEN-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652217955 411173158 /nfs/dbraw/zinc/17/31/58/411173158.db2.gz PZMFPEVFYYJJNK-SNVBAGLBSA-N 2 0 242.367 0.413 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N(C)CC[NH+]1CCCCC1 ZINC000652218178 411173190 /nfs/dbraw/zinc/17/31/90/411173190.db2.gz ZYLPSFFDGOPDFI-LLVKDONJSA-N 2 0 242.367 0.461 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401023618 411173533 /nfs/dbraw/zinc/17/35/33/411173533.db2.gz MEUSJPUMOLCNOA-YVECIDJPSA-N 2 0 242.363 0.362 20 0 BCADRP CCn1cnnc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401051842 411174407 /nfs/dbraw/zinc/17/44/07/411174407.db2.gz YRUFAFSMLURZDM-GRYCIOLGSA-N 2 0 249.362 0.776 20 0 BCADRP CC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401040984 411174622 /nfs/dbraw/zinc/17/46/22/411174622.db2.gz OYZDQUKMLXHTTE-KKOKHZNYSA-N 2 0 212.337 0.735 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652222237 411175602 /nfs/dbraw/zinc/17/56/02/411175602.db2.gz INZMRQOXLSEFPU-VIFPVBQESA-N 2 0 228.340 0.152 20 0 BCADRP CCNC(=O)C[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000401085012 411176122 /nfs/dbraw/zinc/17/61/22/411176122.db2.gz YISPFQGYNQXKBE-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)NCCC1(C[NH3+])CC1 ZINC000652231768 411176673 /nfs/dbraw/zinc/17/66/73/411176673.db2.gz FYINQCOFXXZCMC-UHFFFAOYSA-N 2 0 242.367 0.542 20 0 BCADRP c1cnn(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401123239 411178267 /nfs/dbraw/zinc/17/82/67/411178267.db2.gz KOAGCIOESACSDC-RWMBFGLXSA-N 2 0 234.347 0.861 20 0 BCADRP CNC(=O)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401125922 411178274 /nfs/dbraw/zinc/17/82/74/411178274.db2.gz LASGBUNLQOLWPH-GRYCIOLGSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655515379 411182730 /nfs/dbraw/zinc/18/27/30/411182730.db2.gz ZIDVZSMHXLZVJE-SSDOTTSWSA-N 2 0 241.257 0.332 20 0 BCADRP CC(C)OCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070800610 411183635 /nfs/dbraw/zinc/18/36/35/411183635.db2.gz NTJPQUMPIBJMSP-UHFFFAOYSA-N 2 0 229.368 0.248 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)C(F)(F)F)C1 ZINC000656153948 411188778 /nfs/dbraw/zinc/18/87/78/411188778.db2.gz QPPUVBJIAORFNS-HRDYMLBCSA-N 2 0 240.269 0.839 20 0 BCADRP CN(CC[NH+](C)C)C(=O)NCC1([NH3+])CCCC1 ZINC000659573486 411189741 /nfs/dbraw/zinc/18/97/41/411189741.db2.gz OKLYWZRUQIEOCV-UHFFFAOYSA-N 2 0 242.367 0.461 20 0 BCADRP COC1(CO)CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000656193372 411198032 /nfs/dbraw/zinc/19/80/32/411198032.db2.gz IHFPVOGLGXXHLP-LBPRGKRZSA-N 2 0 242.363 0.459 20 0 BCADRP C[C@H](C[NH2+][C@@H](C)Cn1cncn1)C[NH+](C)C ZINC000658017914 411198338 /nfs/dbraw/zinc/19/83/38/411198338.db2.gz MBNSKQCVVKCFHA-MNOVXSKESA-N 2 0 225.340 0.454 20 0 BCADRP C[C@@H]1C[C@H](CN[C@H](C[NH3+])C(F)(F)F)CC[NH2+]1 ZINC000656193959 411199509 /nfs/dbraw/zinc/19/95/09/411199509.db2.gz AAKQNEAJUSSYNB-IWSPIJDZSA-N 2 0 239.285 0.854 20 0 BCADRP [NH3+]CC1(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000656193286 411200686 /nfs/dbraw/zinc/20/06/86/411200686.db2.gz DXOLBRLGCVSSQH-MNOVXSKESA-N 3 0 211.353 0.975 20 0 BCADRP CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656199097 411201880 /nfs/dbraw/zinc/20/18/80/411201880.db2.gz LIZACRJKAWNGBG-MROQNXINSA-N 2 0 242.363 0.897 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOC[C@@H]2CCOC2)C1 ZINC000656197686 411202704 /nfs/dbraw/zinc/20/27/04/411202704.db2.gz XQUMIGXSMKACMC-UPJWGTAASA-N 2 0 242.363 0.899 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC000656197820 411203134 /nfs/dbraw/zinc/20/31/34/411203134.db2.gz MIULRGYAOCHBGL-ZYHUDNBSSA-N 2 0 239.363 0.905 20 0 BCADRP CC(C)N1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000656197825 411203224 /nfs/dbraw/zinc/20/32/24/411203224.db2.gz MUKUCSGUYDTGTO-GRYCIOLGSA-N 2 0 239.363 0.855 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C1 ZINC000656198329 411203270 /nfs/dbraw/zinc/20/32/70/411203270.db2.gz QHNVUZROYRFDSR-FIQHERPVSA-N 2 0 210.321 0.783 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000424190565 411245324 /nfs/dbraw/zinc/24/53/24/411245324.db2.gz MQXDMBXNQMVQDA-FIQHERPVSA-N 2 0 237.347 0.182 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000652338478 411203819 /nfs/dbraw/zinc/20/38/19/411203819.db2.gz ICPMTHOPRFDOEU-NEPJUHHUSA-N 2 0 228.336 0.069 20 0 BCADRP C[C@H]1CCNC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656200266 411204072 /nfs/dbraw/zinc/20/40/72/411204072.db2.gz KPDREHRSEJMFBA-WUHRBBMRSA-N 2 0 225.380 0.914 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656201831 411207715 /nfs/dbraw/zinc/20/77/15/411207715.db2.gz ZZOOUWQHVKYPOQ-RWMBFGLXSA-N 3 0 243.395 0.670 20 0 BCADRP CC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247489885 411210399 /nfs/dbraw/zinc/21/03/99/411210399.db2.gz UDNHERKTVFTECZ-QWRGUYRKSA-N 2 0 200.326 0.641 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000652353137 411212245 /nfs/dbraw/zinc/21/22/45/411212245.db2.gz GCSJPDVAVGQHGF-OLZOCXBDSA-N 2 0 244.379 0.846 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C[NH+](C)C ZINC000062571271 411216356 /nfs/dbraw/zinc/21/63/56/411216356.db2.gz DKPWUCLAIHUVTG-JTQLQIEISA-N 2 0 213.325 0.004 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)C[NH2+]C(C)C ZINC000659293927 411218356 /nfs/dbraw/zinc/21/83/56/411218356.db2.gz YIJOPZGSMXYUKV-LBPRGKRZSA-N 2 0 229.368 0.864 20 0 BCADRP CCC[NH+]1CCC([NH2+]C[C@](C)(CO)OC)CC1 ZINC000655784173 411222723 /nfs/dbraw/zinc/22/27/23/411222723.db2.gz AIOCRENPHQJRSZ-CYBMUJFWSA-N 2 0 244.379 0.848 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000659295856 411225681 /nfs/dbraw/zinc/22/56/81/411225681.db2.gz GEGLXDXGGLTFPR-AOOOYVTPSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH3+])[NH+](C)C ZINC000128831397 411227554 /nfs/dbraw/zinc/22/75/54/411227554.db2.gz YAHXJKYXPNQKHU-IVZWLZJFSA-N 2 0 213.325 0.323 20 0 BCADRP CO[C@](C)(CO)C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000655786741 411234889 /nfs/dbraw/zinc/23/48/89/411234889.db2.gz RXXYETIQCKDLSA-LOWVWBTDSA-N 2 0 242.363 0.599 20 0 BCADRP CO[C@](C)(CO)C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000655786740 411235167 /nfs/dbraw/zinc/23/51/67/411235167.db2.gz RXXYETIQCKDLSA-GVXVVHGQSA-N 2 0 242.363 0.599 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000659612357 411236030 /nfs/dbraw/zinc/23/60/30/411236030.db2.gz WDLJTHMKBDDHCT-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000652418158 411237099 /nfs/dbraw/zinc/23/70/99/411237099.db2.gz UUVXFTNUNBCZME-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP CCC[NH2+]CCN[C@H]1CC[N@H+](CCOC)C1 ZINC000423306958 411237746 /nfs/dbraw/zinc/23/77/46/411237746.db2.gz FWEFNTFYWBFRRN-LBPRGKRZSA-N 2 0 229.368 0.296 20 0 BCADRP CO[C@H]1CCCN(C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000310542890 411241294 /nfs/dbraw/zinc/24/12/94/411241294.db2.gz RLSYKQAPQMGYRI-STQMWFEESA-N 2 0 244.379 0.798 20 0 BCADRP CC[C@@H](CO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400968061 411166541 /nfs/dbraw/zinc/16/65/41/411166541.db2.gz CPQNUEDJHSQNSO-WISYIIOYSA-N 2 0 212.337 0.735 20 0 BCADRP Cn1cnc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000400967475 411166653 /nfs/dbraw/zinc/16/66/53/411166653.db2.gz ICYHVOUKQROSMD-HBNTYKKESA-N 2 0 235.335 0.293 20 0 BCADRP OCCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400959456 411166780 /nfs/dbraw/zinc/16/67/80/411166780.db2.gz AGUUZQMXGACDMH-GRYCIOLGSA-N 2 0 212.337 0.737 20 0 BCADRP OCCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400959463 411166801 /nfs/dbraw/zinc/16/68/01/411166801.db2.gz AGUUZQMXGACDMH-SDDRHHMPSA-N 2 0 212.337 0.737 20 0 BCADRP OCCOCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400986740 411167305 /nfs/dbraw/zinc/16/73/05/411167305.db2.gz ZICOLFQLABAIQD-YNEHKIRRSA-N 2 0 242.363 0.363 20 0 BCADRP COC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)OC ZINC000400983956 411167331 /nfs/dbraw/zinc/16/73/31/411167331.db2.gz XFTPZLLSPVHMCU-LPWJVIDDSA-N 2 0 242.363 0.626 20 0 BCADRP COC[C@H](CCO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400981385 411167342 /nfs/dbraw/zinc/16/73/42/411167342.db2.gz VQWLETSYKFPSRO-LPWJVIDDSA-N 2 0 242.363 0.362 20 0 BCADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N(C)C ZINC000400989060 411167800 /nfs/dbraw/zinc/16/78/00/411167800.db2.gz XAAMZCPETFBCOL-WHOHXGKFSA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)[C@@H]([NH3+])c1cn(C2CC[NH2+]CC2)nn1 ZINC000656457405 411266284 /nfs/dbraw/zinc/26/62/84/411266284.db2.gz WFWZLFLOLPQSNZ-LLVKDONJSA-N 2 0 223.324 0.858 20 0 BCADRP C[C@H]([NH3+])Cn1cc(CC[NH+]2CCCCC2)nn1 ZINC000656457395 411266831 /nfs/dbraw/zinc/26/68/31/411266831.db2.gz WBYGGPXGURAYMM-NSHDSACASA-N 2 0 237.351 0.654 20 0 BCADRP C[C@@H](C[NH3+])n1cc(CC[NH+]2CCCCC2)nn1 ZINC000656458207 411267427 /nfs/dbraw/zinc/26/74/27/411267427.db2.gz PPHUGCSKVSFBNX-NSHDSACASA-N 2 0 237.351 0.826 20 0 BCADRP C[C@@H](C[NH3+])n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000656458283 411267475 /nfs/dbraw/zinc/26/74/75/411267475.db2.gz UDBBTHOSFNCURQ-IUCAKERBSA-N 2 0 209.297 0.265 20 0 BCADRP C[C@@H](C[NH3+])n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000656458282 411267778 /nfs/dbraw/zinc/26/77/78/411267778.db2.gz UDBBTHOSFNCURQ-DTWKUNHWSA-N 2 0 209.297 0.265 20 0 BCADRP c1c(C[NH2+]C2CC2)nnn1[C@H]1CC[NH2+]C1 ZINC000656466283 411278409 /nfs/dbraw/zinc/27/84/09/411278409.db2.gz BDDKMLSFOSMDPH-JTQLQIEISA-N 2 0 207.281 0.065 20 0 BCADRP c1c([C@@H]2CCC[NH2+]C2)nnn1[C@H]1CC[NH2+]C1 ZINC000656467409 411279834 /nfs/dbraw/zinc/27/98/34/411279834.db2.gz AWMCXLVOMHRJJI-ZJUUUORDSA-N 2 0 221.308 0.280 20 0 BCADRP C[NH2+]C(C)(C)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000656468501 411280605 /nfs/dbraw/zinc/28/06/05/411280605.db2.gz MOQNHBQCYOZKSO-QMMMGPOBSA-N 2 0 209.297 0.267 20 0 BCADRP CC[C@](C)([NH3+])c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656468696 411280756 /nfs/dbraw/zinc/28/07/56/411280756.db2.gz RCUAAASUPCGXTR-ONGXEEELSA-N 2 0 223.324 0.787 20 0 BCADRP C[NH2+]C(C)(C)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000656468499 411280907 /nfs/dbraw/zinc/28/09/07/411280907.db2.gz MOQNHBQCYOZKSO-MRVPVSSYSA-N 2 0 209.297 0.267 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000051694918 411281211 /nfs/dbraw/zinc/28/12/11/411281211.db2.gz OFESKHKJWXFIIZ-CBINBANVSA-N 2 0 227.352 0.890 20 0 BCADRP CC[C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)[NH+](CC)CC ZINC000428152273 411282315 /nfs/dbraw/zinc/28/23/15/411282315.db2.gz RKKRBYISKHHQFE-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CCC[NH2+]C1)[NH+](CC)CC ZINC000428152274 411282545 /nfs/dbraw/zinc/28/25/45/411282545.db2.gz RKKRBYISKHHQFE-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP NC(=[NH2+])NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000656508471 411288467 /nfs/dbraw/zinc/28/84/67/411288467.db2.gz GVKLVWOQHXIRGV-LBPRGKRZSA-N 2 0 248.330 0.236 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000659302340 411294406 /nfs/dbraw/zinc/29/44/06/411294406.db2.gz ICSISVMCUKCSLY-TUAOUCFPSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000659644116 411295935 /nfs/dbraw/zinc/29/59/35/411295935.db2.gz VVJOIGBJTGZYHU-GARJFASQSA-N 2 0 242.367 0.221 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659308564 411307289 /nfs/dbraw/zinc/30/72/89/411307289.db2.gz XHKMCFKLYGQKIB-SNVBAGLBSA-N 2 0 239.363 0.762 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000336426006 167905100 /nfs/dbraw/zinc/90/51/00/167905100.db2.gz JLIMATXAXBHEBR-QWRGUYRKSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062071237 411325971 /nfs/dbraw/zinc/32/59/71/411325971.db2.gz QNLCOZZPVGXVTB-GHMZBOCLSA-N 2 0 200.326 0.689 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CC1([NH3+])CCC1 ZINC000653445692 411256957 /nfs/dbraw/zinc/25/69/57/411256957.db2.gz PIZYMSBULKNYER-ZJUUUORDSA-N 2 0 225.336 0.596 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)CC1([NH3+])CCC1 ZINC000653445691 411257271 /nfs/dbraw/zinc/25/72/71/411257271.db2.gz PIZYMSBULKNYER-VHSXEESVSA-N 2 0 225.336 0.596 20 0 BCADRP C[NH2+]CCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000309817434 411258367 /nfs/dbraw/zinc/25/83/67/411258367.db2.gz VOSUKACGUHENNG-UHFFFAOYSA-N 2 0 207.277 0.693 20 0 BCADRP CC1(C)CN(C(=O)NC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000333897615 167948177 /nfs/dbraw/zinc/94/81/77/167948177.db2.gz ZICKMYYNZGGTBP-JTQLQIEISA-N 2 0 240.351 0.132 20 0 BCADRP CC[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000130627554 411359510 /nfs/dbraw/zinc/35/95/10/411359510.db2.gz DQDYIIQQAWFBRV-SNVBAGLBSA-N 2 0 234.303 0.403 20 0 BCADRP C[C@@]1(CNCC2([NH3+])CCCC2)CC[NH2+]C1 ZINC000656789161 411369509 /nfs/dbraw/zinc/36/95/09/411369509.db2.gz KSZXNMWRMZDIMS-LLVKDONJSA-N 2 0 211.353 0.847 20 0 BCADRP C[C@]12COC[C@@H]1C[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000656790899 411370083 /nfs/dbraw/zinc/37/00/83/411370083.db2.gz CGXWJBMYLJETTH-AVGNSLFASA-N 2 0 224.348 0.954 20 0 BCADRP C[C@@]12COC[C@@H]1C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000656790895 411371212 /nfs/dbraw/zinc/37/12/12/411371212.db2.gz BXMDPJRNCJGPQA-RWMBFGLXSA-N 2 0 224.348 0.954 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000069839786 411371928 /nfs/dbraw/zinc/37/19/28/411371928.db2.gz AILKYRUDLVTWTG-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000659313023 411337242 /nfs/dbraw/zinc/33/72/42/411337242.db2.gz KTMGPULAWQXGEZ-SNVBAGLBSA-N 2 0 225.336 0.243 20 0 BCADRP CC[NH2+]CCNC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000418316343 411377260 /nfs/dbraw/zinc/37/72/60/411377260.db2.gz JSLMNJLEDISICM-NSHDSACASA-N 2 0 244.383 0.611 20 0 BCADRP CC1CCC([NH+]2CCN(C(=O)C[NH3+])CC2)CC1 ZINC000236666613 168159184 /nfs/dbraw/zinc/15/91/84/168159184.db2.gz VBBPPVHRIAUSAE-UHFFFAOYSA-N 2 0 239.363 0.668 20 0 BCADRP CC1CC[NH+](CC(=O)N2CCC[NH2+]CC2)CC1 ZINC000042354417 168177588 /nfs/dbraw/zinc/17/75/88/168177588.db2.gz RESOKMQEGTZLJP-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP CC1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000019685411 168178752 /nfs/dbraw/zinc/17/87/52/168178752.db2.gz HTKTUHLAVJXJDZ-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000040833016 168179276 /nfs/dbraw/zinc/17/92/76/168179276.db2.gz KJFIEQRFDLWQFO-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC[NH+]1CCC(C)CC1 ZINC000040772533 168181244 /nfs/dbraw/zinc/18/12/44/168181244.db2.gz AKPJTXZQQBWVCL-GFCCVEGCSA-N 2 0 241.379 0.818 20 0 BCADRP CC1CC[NH+](CCNC(=O)C(C)(C)[NH3+])CC1 ZINC000040924983 168181676 /nfs/dbraw/zinc/18/16/76/168181676.db2.gz IUXHEEFBWIFDBM-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1CCC[N@H+](CCC(=O)N(C)C)[C@H]1CC[NH3+] ZINC000404287047 411388584 /nfs/dbraw/zinc/38/85/84/411388584.db2.gz INJNLMXMRQCMAQ-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])COC(C)C ZINC000659296541 411390194 /nfs/dbraw/zinc/39/01/94/411390194.db2.gz FZUXFIKIFMTESG-MNOVXSKESA-N 2 0 245.367 0.228 20 0 BCADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2CCCC2)C1 ZINC000654407809 411391116 /nfs/dbraw/zinc/39/11/16/411391116.db2.gz UNKSTXJVJZGIHC-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@]2(O)CCOC2)CC[N@@H+]1C ZINC000404219859 411384258 /nfs/dbraw/zinc/38/42/58/411384258.db2.gz KDWAZMDGBJNPQR-FRRDWIJNSA-N 2 0 242.363 0.600 20 0 BCADRP CCC(C)(C)NC(=O)CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000131464455 168290337 /nfs/dbraw/zinc/29/03/37/168290337.db2.gz LREBMKWKTPISTH-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](C(=O)N1CC[NH2+]C(C)(C)C1)[NH+]1CC(C)C1 ZINC000654854846 411456414 /nfs/dbraw/zinc/45/64/14/411456414.db2.gz RUONYISTOYBPHT-LLVKDONJSA-N 2 0 239.363 0.537 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000638196737 411457392 /nfs/dbraw/zinc/45/73/92/411457392.db2.gz AUDPDYRQZIWBOF-AXFHLTTASA-N 2 0 223.320 0.420 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000659509148 411464416 /nfs/dbraw/zinc/46/44/16/411464416.db2.gz XITXKJIXGYFPIE-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000580763862 411394688 /nfs/dbraw/zinc/39/46/88/411394688.db2.gz WIXQOWIPYREPML-NOOOWODRSA-N 2 0 239.363 0.489 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653044577 411401382 /nfs/dbraw/zinc/40/13/82/411401382.db2.gz OZNOQYDXPHWJCJ-SNVBAGLBSA-N 2 0 213.325 0.102 20 0 BCADRP O=C(NC1CC[NH2+]CC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653043075 411401589 /nfs/dbraw/zinc/40/15/89/411401589.db2.gz YULDDUIJJNMRSV-VXGBXAGGSA-N 2 0 237.347 0.385 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)NCCC[NH+]1CCCC1 ZINC000336696052 411401908 /nfs/dbraw/zinc/40/19/08/411401908.db2.gz IPRLAEUMFOPSFG-SECBINFHSA-N 2 0 249.305 0.571 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]CC1 ZINC000653046361 411402547 /nfs/dbraw/zinc/40/25/47/411402547.db2.gz WIMPEPDERSTTFZ-NEPJUHHUSA-N 2 0 239.363 0.634 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653045581 411402783 /nfs/dbraw/zinc/40/27/83/411402783.db2.gz ZPLIUVAEOWGQQX-VXGBXAGGSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000653049463 411402825 /nfs/dbraw/zinc/40/28/25/411402825.db2.gz MCQQJHTZVKCWBK-SDDRHHMPSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653046609 411402877 /nfs/dbraw/zinc/40/28/77/411402877.db2.gz GZQRVZQRVIUQGI-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000653049462 411402974 /nfs/dbraw/zinc/40/29/74/411402974.db2.gz MCQQJHTZVKCWBK-GRYCIOLGSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000653047375 411403900 /nfs/dbraw/zinc/40/39/00/411403900.db2.gz OIXOVIQKXYHMHZ-OUAUKWLOSA-N 2 0 225.336 0.311 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000653047479 411404342 /nfs/dbraw/zinc/40/43/42/411404342.db2.gz SVVAYIYULJBQCM-ZMLRMANQSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653053818 411405787 /nfs/dbraw/zinc/40/57/87/411405787.db2.gz MDIPTLAXPMFDFE-NXEZZACHSA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653052121 411406315 /nfs/dbraw/zinc/40/63/15/411406315.db2.gz VZHLZSYDVWQLLU-QWRGUYRKSA-N 2 0 227.352 0.476 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000653053559 411406331 /nfs/dbraw/zinc/40/63/31/411406331.db2.gz RMKHHNQADMGDCU-MNOVXSKESA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]1CCN(C(=O)CC[NH2+]C2CC2)[C@H](C[NH3+])C1 ZINC000659378934 411406988 /nfs/dbraw/zinc/40/69/88/411406988.db2.gz PYEFJRGWVGBHED-PWSUYJOCSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+](C)CC[C@H](N)C(=O)NCC1CCCCC1 ZINC000653056437 411408265 /nfs/dbraw/zinc/40/82/65/411408265.db2.gz GKTMGFNLNPXXOE-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659389465 411410523 /nfs/dbraw/zinc/41/05/23/411410523.db2.gz NNYNATXPJNNCJZ-RKDXNWHRSA-N 2 0 231.315 0.402 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659388919 411410702 /nfs/dbraw/zinc/41/07/02/411410702.db2.gz NUKKQWIAWPOCRQ-DBIOUOCHSA-N 2 0 243.326 0.272 20 0 BCADRP C[C@@H](CNC(=O)NCC1([NH3+])CCCC1)[NH+](C)C ZINC000659500746 411461973 /nfs/dbraw/zinc/46/19/73/411461973.db2.gz GGHUBQQZGLJSNO-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)C[NH2+]C ZINC000659445667 411413017 /nfs/dbraw/zinc/41/30/17/411413017.db2.gz JLOZHYPXJYNFBX-MNOVXSKESA-N 2 0 244.383 0.624 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000659439996 411414713 /nfs/dbraw/zinc/41/47/13/411414713.db2.gz DMLSEILHBPTEND-SNVBAGLBSA-N 2 0 242.367 0.459 20 0 BCADRP CCO[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1C[NH3+] ZINC000405196212 411419610 /nfs/dbraw/zinc/41/96/10/411419610.db2.gz CBEVCACWEXOTAF-CHWSQXEVSA-N 2 0 244.379 0.955 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NCCC[NH2+]C1CC1 ZINC000659506080 411423943 /nfs/dbraw/zinc/42/39/43/411423943.db2.gz KOZZXXRDOFVKGU-SECBINFHSA-N 2 0 228.340 0.036 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCC[NH3+])C1 ZINC000659512907 411424879 /nfs/dbraw/zinc/42/48/79/411424879.db2.gz RTDURDUQLBYBDO-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NC1CCC([NH3+])CC1 ZINC000659515608 411426504 /nfs/dbraw/zinc/42/65/04/411426504.db2.gz CJWCAMIJNCFAQD-XNWIYYODSA-N 2 0 228.340 0.163 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000659518288 411427222 /nfs/dbraw/zinc/42/72/22/411427222.db2.gz FNFHSJQUOQLPNU-VIFPVBQESA-N 2 0 228.340 0.102 20 0 BCADRP CCO[C@@H]1C[N@@H+]([C@@H](C)COC)C[C@H]1C[NH3+] ZINC000405370631 411427459 /nfs/dbraw/zinc/42/74/59/411427459.db2.gz JLWMSYZISCHMKS-HBNTYKKESA-N 2 0 216.325 0.317 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000659527792 411429296 /nfs/dbraw/zinc/42/92/96/411429296.db2.gz BEPPMBUQLPGSFZ-SNVBAGLBSA-N 2 0 242.367 0.283 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000659536135 411430990 /nfs/dbraw/zinc/43/09/90/411430990.db2.gz GKDCXSMDZGDAIQ-GUBZILKMSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659540793 411432309 /nfs/dbraw/zinc/43/23/09/411432309.db2.gz XAZYCLOATAIOGT-UWVGGRQHSA-N 2 0 242.367 0.506 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N[C@H](C)CCCC[NH3+] ZINC000659544572 411432766 /nfs/dbraw/zinc/43/27/66/411432766.db2.gz CUFNICRHQWDAJC-NXEZZACHSA-N 2 0 230.356 0.411 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659549613 411434810 /nfs/dbraw/zinc/43/48/10/411434810.db2.gz OAARCKXDGHSTSI-MRVPVSSYSA-N 2 0 216.329 0.102 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659579296 411439496 /nfs/dbraw/zinc/43/94/96/411439496.db2.gz YWGXBNHEAJCCFH-JTQLQIEISA-N 2 0 240.351 0.248 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)NCC1([NH3+])CCCC1 ZINC000659576631 411439504 /nfs/dbraw/zinc/43/95/04/411439504.db2.gz FCZUXPJNVZMVJM-SNVBAGLBSA-N 2 0 240.351 0.391 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659577264 411439644 /nfs/dbraw/zinc/43/96/44/411439644.db2.gz JRYARVNARBKJAB-VIFPVBQESA-N 2 0 226.324 0.001 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659576159 411439671 /nfs/dbraw/zinc/43/96/71/411439671.db2.gz AJQIDYQNPQUIOS-JTQLQIEISA-N 2 0 240.351 0.391 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659609987 411441587 /nfs/dbraw/zinc/44/15/87/411441587.db2.gz FOBCSEQNDHNDMF-UHFFFAOYSA-N 2 0 240.351 0.117 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)NCC[C@H](C)[NH3+])C1 ZINC000659611168 411441605 /nfs/dbraw/zinc/44/16/05/411441605.db2.gz QCMYHFBRDUBHSG-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000659617917 411442354 /nfs/dbraw/zinc/44/23/54/411442354.db2.gz AVSTUTRUIVQZHJ-NXEZZACHSA-N 2 0 230.356 0.348 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C2CC2)CC[N@@H+]1C ZINC000637829096 411443741 /nfs/dbraw/zinc/44/37/41/411443741.db2.gz YXMJNUHABTVRNB-NWDGAFQWSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000637845527 411445251 /nfs/dbraw/zinc/44/52/51/411445251.db2.gz YPBODFCRHRDHAU-WDEREUQCSA-N 2 0 225.336 0.524 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](C)C[NH2+]C ZINC000418401317 411449344 /nfs/dbraw/zinc/44/93/44/411449344.db2.gz YPNKFKAKXOAJIS-MNOVXSKESA-N 2 0 244.383 0.659 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NCCC[NH2+]C(C)C ZINC000659513757 411466925 /nfs/dbraw/zinc/46/69/25/411466925.db2.gz YROYWSCMYBSMKC-JTQLQIEISA-N 2 0 230.356 0.282 20 0 BCADRP CN(CCC[NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000659520242 411475051 /nfs/dbraw/zinc/47/50/51/411475051.db2.gz YDLMQSXNKHCDHG-UHFFFAOYSA-N 2 0 228.340 0.247 20 0 BCADRP Nc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000659848628 411475751 /nfs/dbraw/zinc/47/57/51/411475751.db2.gz ATZXXSOWLLDSRQ-RYUDHWBXSA-N 2 0 217.316 0.920 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000659520551 411475795 /nfs/dbraw/zinc/47/57/95/411475795.db2.gz BZEVQZUGLYPHTA-DCAQKATOSA-N 2 0 242.367 0.411 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000130008390 411478281 /nfs/dbraw/zinc/47/82/81/411478281.db2.gz RITOVKUCEWZJQY-VHSXEESVSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)NCC1([NH3+])CCCC1 ZINC000659525810 411483157 /nfs/dbraw/zinc/48/31/57/411483157.db2.gz IOMHIGNLICYCKZ-VIFPVBQESA-N 2 0 228.340 0.152 20 0 BCADRP C[C@@H](CC(=O)N[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000127441415 411489001 /nfs/dbraw/zinc/48/90/01/411489001.db2.gz IJZXEJRNUUNWGQ-JQWIXIFHSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@]1(C[NH2+]CCCn2ccnc2)CC[NH2+]C1 ZINC000415100061 411490739 /nfs/dbraw/zinc/49/07/39/411490739.db2.gz HHQWYYHXQLUNSO-GFCCVEGCSA-N 2 0 222.336 0.862 20 0 BCADRP CC[NH+]1CCC(NC(=O)CC[NH2+]C)CC1 ZINC000043605498 169953121 /nfs/dbraw/zinc/95/31/21/169953121.db2.gz LTBANBCWNVDAQS-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC1CC[NH2+]CC1 ZINC000309474803 411497319 /nfs/dbraw/zinc/49/73/19/411497319.db2.gz BNYCUZIDDBBEIN-UHFFFAOYSA-N 2 0 213.325 0.243 20 0 BCADRP [NH3+][C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000127647899 411498914 /nfs/dbraw/zinc/49/89/14/411498914.db2.gz BIDZBRYNWLVKAW-AAEUAGOBSA-N 2 0 247.342 0.802 20 0 BCADRP CC1(C)C[NH2+]CCN1C[C@@H]1CCC[NH2+]C1 ZINC000309483291 411499009 /nfs/dbraw/zinc/49/90/09/411499009.db2.gz FIAMUIFOMSILAV-LLVKDONJSA-N 2 0 211.353 0.670 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C[C@H]1CC[NH2+]C1 ZINC000127655630 411499920 /nfs/dbraw/zinc/49/99/20/411499920.db2.gz XVEFZSFBRMEQBY-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000659542201 411509908 /nfs/dbraw/zinc/50/99/08/411509908.db2.gz YUBBMDQBOHHIDA-UWVGGRQHSA-N 2 0 228.340 0.247 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)NC/C=C/C[NH3+] ZINC000659545035 411511723 /nfs/dbraw/zinc/51/17/23/411511723.db2.gz ZMRGHKHGJSZNRS-HMDXOVGESA-N 2 0 228.340 0.174 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000659543783 411511880 /nfs/dbraw/zinc/51/18/80/411511880.db2.gz RIROXRBRBGXJLF-ONGXEEELSA-N 2 0 242.367 0.411 20 0 BCADRP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000638927220 411514269 /nfs/dbraw/zinc/51/42/69/411514269.db2.gz VSRJWLUWURFFSI-PHIMTYICSA-N 2 0 237.347 0.291 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659547061 411515855 /nfs/dbraw/zinc/51/58/55/411515855.db2.gz AGBZZYSORBGALX-VHSXEESVSA-N 2 0 230.356 0.396 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806242 411520634 /nfs/dbraw/zinc/52/06/34/411520634.db2.gz SIBDIQIARPEBPU-NDBYEHHHSA-N 2 0 225.380 0.866 20 0 BCADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3c[nH]nn3)CC[C@H]21 ZINC000660012797 411528004 /nfs/dbraw/zinc/52/80/04/411528004.db2.gz UPQDYUNEHARQQF-DGCLKSJQSA-N 2 0 249.362 0.763 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)C[NH3+])C1 ZINC000044802681 170008047 /nfs/dbraw/zinc/00/80/47/170008047.db2.gz CGJLNBXIIXGZMU-UWVGGRQHSA-N 2 0 213.325 0.039 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000040464019 170008663 /nfs/dbraw/zinc/00/86/63/170008663.db2.gz IGDRZIASAYLXKY-WDEREUQCSA-N 2 0 241.379 0.818 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CO)COC2)[C@@H](C)C1 ZINC000358348703 170013065 /nfs/dbraw/zinc/01/30/65/170013065.db2.gz WBQDDUIVYLGEFY-NWDGAFQWSA-N 2 0 242.363 0.315 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000372119203 170015076 /nfs/dbraw/zinc/01/50/76/170015076.db2.gz XPTFEOGGUXUXAK-PWSUYJOCSA-N 2 0 243.326 0.146 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000250245219 170015220 /nfs/dbraw/zinc/01/52/20/170015220.db2.gz HVXCZUZAUXNRSU-MNOVXSKESA-N 2 0 225.336 0.054 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000372119204 170015516 /nfs/dbraw/zinc/01/55/16/170015516.db2.gz XPTFEOGGUXUXAK-ZYHUDNBSSA-N 2 0 243.326 0.146 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000236848211 170018784 /nfs/dbraw/zinc/01/87/84/170018784.db2.gz PFISQAIHJLOXSU-AXFHLTTASA-N 2 0 227.352 0.522 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C[NH3+])C[C@@H]1C ZINC000357253136 170018800 /nfs/dbraw/zinc/01/88/00/170018800.db2.gz WRUGUOCSNKKDDI-WOPDTQHZSA-N 2 0 241.379 0.912 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C(N)=O)[C@H](C)C1 ZINC000121874350 170020266 /nfs/dbraw/zinc/02/02/66/170020266.db2.gz LBWYCNXDSQAVFU-MNOVXSKESA-N 2 0 241.379 0.818 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](O)COC)[C@H](C)C1 ZINC000305766297 170020297 /nfs/dbraw/zinc/02/02/97/170020297.db2.gz FRESOFLJMYGSGF-UPJWGTAASA-N 2 0 244.379 0.704 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](O)COC)[C@@H](C)C1 ZINC000305766296 170020478 /nfs/dbraw/zinc/02/04/78/170020478.db2.gz FRESOFLJMYGSGF-AVGNSLFASA-N 2 0 244.379 0.704 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(CO)COC2)[C@H](C)C1 ZINC000358348701 170021529 /nfs/dbraw/zinc/02/15/29/170021529.db2.gz WBQDDUIVYLGEFY-NEPJUHHUSA-N 2 0 242.363 0.315 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(C)C2)[C@@H](C)C1 ZINC000358085588 170021734 /nfs/dbraw/zinc/02/17/34/170021734.db2.gz NTHMCWPTDSBWTI-TUAOUCFPSA-N 2 0 239.363 0.537 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC(=O)NC2)[C@H](C)C1 ZINC000358125621 170021982 /nfs/dbraw/zinc/02/19/82/170021982.db2.gz IEJIARDYXKEWNM-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP CCN1C[C@H]([NH2+][C@@H]2CC(=O)N(C)C2)[C@@H](C)C1 ZINC000336777320 170037418 /nfs/dbraw/zinc/03/74/18/170037418.db2.gz IDHNXAFMTCVCFG-AXFHLTTASA-N 2 0 225.336 0.147 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](NCCC[NH+](C)C)C1 ZINC000336768132 170037835 /nfs/dbraw/zinc/03/78/35/170037835.db2.gz TTXPKPMZUVGPAO-NWDGAFQWSA-N 2 0 213.369 0.868 20 0 BCADRP CCNC(=O)C[N@H+](CC)CC[C@@H]1CCC[NH2+]C1 ZINC000051919229 170056060 /nfs/dbraw/zinc/05/60/60/170056060.db2.gz RTBAJZBKEZPLQH-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000364462311 170114475 /nfs/dbraw/zinc/11/44/75/170114475.db2.gz CFIHBMIBAYCNBY-LLVKDONJSA-N 2 0 227.352 0.492 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@]1(CC)CC[NH2+]C1 ZINC000309546212 170114524 /nfs/dbraw/zinc/11/45/24/170114524.db2.gz BRENFALJKMMGDH-NSHDSACASA-N 2 0 213.325 0.102 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000368126224 170114695 /nfs/dbraw/zinc/11/46/95/170114695.db2.gz QAYKJYFYUARTDW-GHMZBOCLSA-N 2 0 227.352 0.346 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000236931123 170115047 /nfs/dbraw/zinc/11/50/47/170115047.db2.gz CDEHZNJRHRIUNQ-LBPRGKRZSA-N 2 0 235.331 0.282 20 0 BCADRP CC[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC000236905456 170115077 /nfs/dbraw/zinc/11/50/77/170115077.db2.gz UEYCNLINHJIGPU-UHFFFAOYSA-N 2 0 201.314 0.052 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000358917518 170158061 /nfs/dbraw/zinc/15/80/61/170158061.db2.gz VDPDYGQPMWMOBM-DGCLKSJQSA-N 2 0 249.358 0.843 20 0 BCADRP CCN1C[C@H]([NH2+]CCNc2cnccn2)[C@@H](C)C1 ZINC000344634845 411634871 /nfs/dbraw/zinc/63/48/71/411634871.db2.gz CUOFORUMXSITGN-RYUDHWBXSA-N 2 0 249.362 0.818 20 0 BCADRP CCN1C[C@H](C)[C@H]([NH2+]CCNc2cnccn2)C1 ZINC000344634844 411636519 /nfs/dbraw/zinc/63/65/19/411636519.db2.gz CUOFORUMXSITGN-NWDGAFQWSA-N 2 0 249.362 0.818 20 0 BCADRP O[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000657809011 411601642 /nfs/dbraw/zinc/60/16/42/411601642.db2.gz RVMQPDCUVLLQQQ-YFKTTZPYSA-N 2 0 210.321 0.726 20 0 BCADRP Cn1cc(CC[N@@H+]2CCn3cncc3C2)cn1 ZINC000660579984 411603192 /nfs/dbraw/zinc/60/31/92/411603192.db2.gz ZOIBCSJWINPFDP-UHFFFAOYSA-N 2 0 231.303 0.675 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+]CCC[NH+](C)C ZINC000657816007 411604684 /nfs/dbraw/zinc/60/46/84/411604684.db2.gz HEHBBWMTNGSZFP-SNVBAGLBSA-N 2 0 211.313 0.208 20 0 BCADRP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)Cn1cncn1 ZINC000657831059 411608988 /nfs/dbraw/zinc/60/89/88/411608988.db2.gz RCNWTOCBOZSIRZ-LBPRGKRZSA-N 2 0 239.367 0.987 20 0 BCADRP C[C@@H](Cn1cncn1)[NH2+]CCCC[NH+](C)C ZINC000657858767 411612703 /nfs/dbraw/zinc/61/27/03/411612703.db2.gz KWLKKHMKOIVARI-NSHDSACASA-N 2 0 225.340 0.598 20 0 BCADRP C[C@@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662966 411615582 /nfs/dbraw/zinc/61/55/82/411615582.db2.gz MEXVEPFCNWDAFD-VXGBXAGGSA-N 2 0 212.337 0.785 20 0 BCADRP C[C@@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662960 411616103 /nfs/dbraw/zinc/61/61/03/411616103.db2.gz MEXVEPFCNWDAFD-NEPJUHHUSA-N 2 0 212.337 0.785 20 0 BCADRP C(C[C@H]1CC[NH2+]C1)[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC000663495604 411670086 /nfs/dbraw/zinc/67/00/86/411670086.db2.gz ZQHJFCWPKKTEGW-WOPDTQHZSA-N 3 0 209.337 0.185 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663492687 411671630 /nfs/dbraw/zinc/67/16/30/411671630.db2.gz AZTMRYZQTXQSTR-RHYQMDGZSA-N 2 0 227.327 0.228 20 0 BCADRP C(N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493064 411671860 /nfs/dbraw/zinc/67/18/60/411671860.db2.gz FGZUUDNOGLUZTJ-NDBYEHHHSA-N 2 0 221.348 0.280 20 0 BCADRP [NH3+][C@H]1CCN(Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663493955 411672639 /nfs/dbraw/zinc/67/26/39/411672639.db2.gz FHSPMBVDQBYBEJ-QMMMGPOBSA-N 2 0 238.360 0.322 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C[C@]12C[C@H]1C[NH2+]C2 ZINC000663493687 411673143 /nfs/dbraw/zinc/67/31/43/411673143.db2.gz CXRCHFXTWULXPF-YNEHKIRRSA-N 2 0 225.380 0.901 20 0 BCADRP C([N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663493112 411673444 /nfs/dbraw/zinc/67/34/44/411673444.db2.gz FPHIGKSZWJENJS-RFQIPJPRSA-N 3 0 235.375 0.527 20 0 BCADRP [NH3+][C@H](CNC[C@]12C[C@H]1C[NH2+]C2)c1ccccc1 ZINC000663493755 411673635 /nfs/dbraw/zinc/67/36/35/411673635.db2.gz JORRBXSRVULTOD-BFHYXJOUSA-N 2 0 231.343 0.886 20 0 BCADRP C[C@@H]1C[C@H](NC[C@@]23C[C@@H]2C[NH2+]C3)CC[NH2+]1 ZINC000663496998 411678350 /nfs/dbraw/zinc/67/83/50/411678350.db2.gz KLZRUQAVGGPDNT-KKOKHZNYSA-N 2 0 209.337 0.326 20 0 BCADRP C[C@@H](C[NH3+])CNCc1nc2c(s1)C[NH2+]CC2 ZINC000663497382 411679062 /nfs/dbraw/zinc/67/90/62/411679062.db2.gz NFCQLRNOKZSDEK-QMMMGPOBSA-N 2 0 240.376 0.473 20 0 BCADRP C(N[C@@H]1CCC[NH2+]CC1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663498773 411682007 /nfs/dbraw/zinc/68/20/07/411682007.db2.gz UBJDWSQOHDFXQA-QJPTWQEYSA-N 2 0 209.337 0.328 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663500302 411682925 /nfs/dbraw/zinc/68/29/25/411682925.db2.gz ZYMSEDFEHOJYAQ-UTUOFQBUSA-N 3 0 211.353 0.703 20 0 BCADRP C([NH2+][C@@H]1CCCOCC1)C12CC(C1)C[NH2+]2 ZINC000663499621 411683733 /nfs/dbraw/zinc/68/37/33/411683733.db2.gz ZNGBIRAWVYFKOD-MOENNCHZSA-N 2 0 210.321 0.897 20 0 BCADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000663501470 411685368 /nfs/dbraw/zinc/68/53/68/411685368.db2.gz WBHMYYPYIOAYGA-DEULPLRUSA-N 3 0 235.375 0.716 20 0 BCADRP C[C@H](NCC12CC(C1)C[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000663501300 411686466 /nfs/dbraw/zinc/68/64/66/411686466.db2.gz UYFCWMNPXDBBNT-QCXCNERSSA-N 2 0 223.364 0.716 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCOC3(CNC3)C2)CC[NH2+]1 ZINC000663512198 411694142 /nfs/dbraw/zinc/69/41/42/411694142.db2.gz ZIXSLUQNCIPQTA-NEPJUHHUSA-N 2 0 239.363 0.049 20 0 BCADRP CCn1nccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000663514361 411695545 /nfs/dbraw/zinc/69/55/45/411695545.db2.gz PVWCULDNRMVISZ-UHFFFAOYSA-N 2 0 222.336 0.992 20 0 BCADRP c1cc(NC[C@H]2COCC[NH2+]2)nc(C2CC2)n1 ZINC000630533081 411702029 /nfs/dbraw/zinc/70/20/29/411702029.db2.gz QGNRHDPBGSSTRX-JTQLQIEISA-N 2 0 234.303 0.754 20 0 BCADRP CCN(C)C[C@H](O)C[NH2+][C@H](CO)C1CCC1 ZINC000661151570 411721072 /nfs/dbraw/zinc/72/10/72/411721072.db2.gz DDEOTZJRSBVXGL-VXGBXAGGSA-N 2 0 230.352 0.050 20 0 BCADRP CC[C@@H]([NH3+])C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000565773225 411727010 /nfs/dbraw/zinc/72/70/10/411727010.db2.gz NAEYQMSGIPSCPO-SNVBAGLBSA-N 2 0 245.286 0.943 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN(C)CC1=CCCOC1 ZINC000661654527 411831536 /nfs/dbraw/zinc/83/15/36/411831536.db2.gz ZSKGLHXOGGFDSJ-CYBMUJFWSA-N 2 0 242.363 0.578 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000226397269 170723427 /nfs/dbraw/zinc/72/34/27/170723427.db2.gz XUXYCUZWUVKJSZ-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCNc1cnccn1 ZINC000576695261 411835606 /nfs/dbraw/zinc/83/56/06/411835606.db2.gz LWCBHDNHPRGHQL-NEPJUHHUSA-N 2 0 249.362 0.866 20 0 BCADRP Cc1nccn1CCN(C)Cc1cn(C)nn1 ZINC000661743348 411860217 /nfs/dbraw/zinc/86/02/17/411860217.db2.gz GNCSUMQDCZFJFV-UHFFFAOYSA-N 2 0 234.307 0.452 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NCc1ccc(N)nc1 ZINC000647547751 411890427 /nfs/dbraw/zinc/89/04/27/411890427.db2.gz BXFDTVPGQRHBTP-JTQLQIEISA-N 2 0 220.320 0.894 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N)nc1 ZINC000647546979 411909663 /nfs/dbraw/zinc/90/96/63/411909663.db2.gz JEZILARBPYWWSN-KOLCDFICSA-N 2 0 220.320 0.751 20 0 BCADRP C[C@H]([NH3+])[C@H](C)Nc1nc(N)[nH+]c2c1CCCC2 ZINC000647708227 411920162 /nfs/dbraw/zinc/92/01/62/411920162.db2.gz FHBYJHDMKMLVQU-YUMQZZPRSA-N 2 0 235.335 0.507 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(N)nc2)C1 ZINC000647509900 411920414 /nfs/dbraw/zinc/92/04/14/411920414.db2.gz PFAKLEOMFZKNBQ-ONGXEEELSA-N 2 0 220.320 0.833 20 0 BCADRP C[C@H](C[NH3+])C[NH2+]Cc1cnc(N)s1 ZINC000516570460 411920530 /nfs/dbraw/zinc/92/05/30/411920530.db2.gz RJUCJMMJTVTGDV-ZCFIWIBFSA-N 2 0 200.311 0.410 20 0 BCADRP Nc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cn1 ZINC000647547773 411975531 /nfs/dbraw/zinc/97/55/31/411975531.db2.gz DDGYSARGHMTYJC-MWLCHTKSSA-N 2 0 220.320 0.881 20 0 BCADRP Nc1nc(N2CCC[NH2+]CC2)c2c([nH+]1)CCCC2 ZINC000647703975 411981040 /nfs/dbraw/zinc/98/10/40/411981040.db2.gz VFWZUBKURPSEOX-UHFFFAOYSA-N 2 0 247.346 0.737 20 0 BCADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](C)[NH2+]C ZINC000664719754 412012785 /nfs/dbraw/zinc/01/27/85/412012785.db2.gz XLZPDMLRWNGTHM-JTQLQIEISA-N 2 0 229.368 0.831 20 0 BCADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]([NH3+])CC ZINC000664720523 412013921 /nfs/dbraw/zinc/01/39/21/412013921.db2.gz LTVRJHYAIVUYPG-JTQLQIEISA-N 2 0 229.368 0.960 20 0 BCADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](C)C[NH3+] ZINC000664718376 412014120 /nfs/dbraw/zinc/01/41/20/412014120.db2.gz CVDFDCXEYXJCPF-JTQLQIEISA-N 2 0 229.368 0.818 20 0 BCADRP CCN1CC[C@H]([N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)C1=O ZINC000662267002 412059013 /nfs/dbraw/zinc/05/90/13/412059013.db2.gz RLSJTAQGBHCHRA-MXWKQRLJSA-N 2 0 225.336 0.276 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](COC)OC)C1 ZINC000662237353 412034983 /nfs/dbraw/zinc/03/49/83/412034983.db2.gz IRUBEDBJPYGXBO-NWDGAFQWSA-N 2 0 230.352 0.579 20 0 BCADRP CCN1CC[C@@H](N2CC[C@H](C[NH2+]C)C2)C1=O ZINC000662245139 412041194 /nfs/dbraw/zinc/04/11/94/412041194.db2.gz HWUNWEDFILZYCG-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662247872 412044510 /nfs/dbraw/zinc/04/45/10/412044510.db2.gz NNGIJSGLGCVFLL-NWDGAFQWSA-N 3 0 241.379 0.470 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C[C@H]1C[NH2+]CCO1 ZINC000662248210 412046330 /nfs/dbraw/zinc/04/63/30/412046330.db2.gz WECZRLIOGLBJKE-NEPJUHHUSA-N 2 0 229.368 0.280 20 0 BCADRP CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251052 412048342 /nfs/dbraw/zinc/04/83/42/412048342.db2.gz WXBDFRPZQYBNES-NSHDSACASA-N 2 0 210.321 0.992 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@@H](C)CO1 ZINC000662252009 412048495 /nfs/dbraw/zinc/04/84/95/412048495.db2.gz LAVWOKHBCSFORW-QJPTWQEYSA-N 2 0 240.347 0.617 20 0 BCADRP CO[C@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662251538 412048526 /nfs/dbraw/zinc/04/85/26/412048526.db2.gz DXWATNYALRASBP-NWDGAFQWSA-N 2 0 240.347 0.618 20 0 BCADRP CCOCC[N@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255045 412050209 /nfs/dbraw/zinc/05/02/09/412050209.db2.gz VZWKXYIQLVHQKX-LBPRGKRZSA-N 2 0 242.363 0.866 20 0 BCADRP COC(C)(C)C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257648 412050915 /nfs/dbraw/zinc/05/09/15/412050915.db2.gz FJMRWZHEFJEJKD-LLVKDONJSA-N 2 0 242.363 0.864 20 0 BCADRP COC[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662259006 412052913 /nfs/dbraw/zinc/05/29/13/412052913.db2.gz NYEPJBJXRJYCOA-VXGBXAGGSA-N 2 0 240.347 0.618 20 0 BCADRP COC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259005 412054284 /nfs/dbraw/zinc/05/42/84/412054284.db2.gz NYEPJBJXRJYCOA-RYUDHWBXSA-N 2 0 240.347 0.618 20 0 BCADRP C[N@@H+](Cc1cn[nH]c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662265796 412058580 /nfs/dbraw/zinc/05/85/80/412058580.db2.gz ZLKVWCLVMPSHID-LLVKDONJSA-N 2 0 236.319 0.363 20 0 BCADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662272577 412062162 /nfs/dbraw/zinc/06/21/62/412062162.db2.gz GSZMGLVUCFPNJO-VXGBXAGGSA-N 3 0 239.363 0.178 20 0 BCADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662272574 412063514 /nfs/dbraw/zinc/06/35/14/412063514.db2.gz GSZMGLVUCFPNJO-RYUDHWBXSA-N 3 0 239.363 0.178 20 0 BCADRP C1=CCC(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000662272282 412063739 /nfs/dbraw/zinc/06/37/39/412063739.db2.gz DFROSLKQZXQCFA-CQSZACIVSA-N 2 0 235.375 0.932 20 0 BCADRP CN(C[C@H]1CCC2(C[NH2+]C2)O1)[C@H](C[NH3+])C1CC1 ZINC000662272655 412063815 /nfs/dbraw/zinc/06/38/15/412063815.db2.gz HKNOYPGYDJQYOJ-VXGBXAGGSA-N 2 0 239.363 0.177 20 0 BCADRP CN1CCC[C@@H]([N@@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000662272325 412063838 /nfs/dbraw/zinc/06/38/38/412063838.db2.gz DXYGLPDYHBSQGG-ZYHUDNBSSA-N 2 0 225.336 0.278 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)[NH3+] ZINC000245918392 171098629 /nfs/dbraw/zinc/09/86/29/171098629.db2.gz GSPXXSMGUOXOFC-HBNTYKKESA-N 2 0 225.336 0.419 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C[C@H]1C[NH2+]CCO1 ZINC000662273202 412065259 /nfs/dbraw/zinc/06/52/59/412065259.db2.gz MVYSXCMIHGZKLS-VXGBXAGGSA-N 2 0 227.352 0.178 20 0 BCADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2CNCCO2)C1 ZINC000662273755 412065368 /nfs/dbraw/zinc/06/53/68/412065368.db2.gz ZWGJNEINKKNYRM-NEPJUHHUSA-N 2 0 227.352 0.036 20 0 BCADRP CO[C@@H](C[N@H+](C)C[C@@H](O)C[NH3+])C1CCC1 ZINC000662275609 412068237 /nfs/dbraw/zinc/06/82/37/412068237.db2.gz CYQFNCOPTXQCOZ-QWRGUYRKSA-N 2 0 216.325 0.053 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000353458269 171146007 /nfs/dbraw/zinc/14/60/07/171146007.db2.gz IYRVKLMOWNDZBU-USZNOCQGSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](C)C[NH2+]C ZINC000353178656 171147718 /nfs/dbraw/zinc/14/77/18/171147718.db2.gz AQMYNZQPJBODBP-VWYCJHECSA-N 2 0 227.352 0.346 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000353131057 171147759 /nfs/dbraw/zinc/14/77/59/171147759.db2.gz PZIKRHCNCBMBQR-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000353430960 171147891 /nfs/dbraw/zinc/14/78/91/171147891.db2.gz XPDIXLZHJOJJGL-WOPDTQHZSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000353459217 171148379 /nfs/dbraw/zinc/14/83/79/171148379.db2.gz LKWPVYADAUQHIV-FIQHERPVSA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000353197664 171149343 /nfs/dbraw/zinc/14/93/43/171149343.db2.gz YWVSMDAZFMWSOX-MNOVXSKESA-N 2 0 239.363 0.762 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000353122575 171149409 /nfs/dbraw/zinc/14/94/09/171149409.db2.gz AVYODHNLQYDDTK-VWYCJHECSA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000353190509 171149511 /nfs/dbraw/zinc/14/95/11/171149511.db2.gz ODIMCHNIARBEDF-NTZNESFSSA-N 2 0 239.363 0.618 20 0 BCADRP C1=CCC(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000662276758 412069575 /nfs/dbraw/zinc/06/95/75/412069575.db2.gz PMNZQGDIEBJCQD-AWEZNQCLSA-N 2 0 235.375 0.932 20 0 BCADRP CC[C@@]1(C(=O)N(C)[C@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000184074964 171195154 /nfs/dbraw/zinc/19/51/54/171195154.db2.gz OQAPIBIOGQHIIM-JQWIXIFHSA-N 2 0 225.336 0.339 20 0 BCADRP CC[C@@]1(C(=O)NC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000360466402 171196227 /nfs/dbraw/zinc/19/62/27/171196227.db2.gz LQAYZTQEIROCSM-ZYHUDNBSSA-N 2 0 225.336 0.244 20 0 BCADRP CC[C@@]1(C(=O)NC[C@H](C)[NH2+]C)CC[NH2+]C1 ZINC000309534236 171196429 /nfs/dbraw/zinc/19/64/29/171196429.db2.gz WQBGGTMPDRCDRV-GXSJLCMTSA-N 2 0 213.325 0.100 20 0 BCADRP CC[C@@]1(C(=O)NCc2nccn2C)CCC[NH2+]1 ZINC000122124297 171196477 /nfs/dbraw/zinc/19/64/77/171196477.db2.gz QKEAWZFODDVTCS-LBPRGKRZSA-N 2 0 236.319 0.569 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000125099387 171224812 /nfs/dbraw/zinc/22/48/12/171224812.db2.gz ROIWWGMHXKUQEM-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[NH+](C)C ZINC000377789986 171225091 /nfs/dbraw/zinc/22/50/91/171225091.db2.gz VSQOTWYWAMQFDK-IJLUTSLNSA-N 2 0 239.363 0.395 20 0 BCADRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[NH+](C)C ZINC000365504774 171225714 /nfs/dbraw/zinc/22/57/14/171225714.db2.gz CGBUAJZVWRSNII-GRYCIOLGSA-N 2 0 239.363 0.347 20 0 BCADRP CC[C@H](C(=O)NCC[NH3+])[NH+](CC)CC ZINC000336656397 171228576 /nfs/dbraw/zinc/22/85/76/171228576.db2.gz HVLXICRXHQDTMA-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP CC[C@H](C(=O)N[C@@H](C)CC[NH+](C)C)[NH+](C)C ZINC000338964654 171232000 /nfs/dbraw/zinc/23/20/00/171232000.db2.gz QWLXXPOYHDGYIQ-WDEREUQCSA-N 2 0 229.368 0.783 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000338963479 171232354 /nfs/dbraw/zinc/23/23/54/171232354.db2.gz KCEDLNMJVPFPHL-IJLUTSLNSA-N 2 0 241.379 0.926 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266894570 171242468 /nfs/dbraw/zinc/24/24/68/171242468.db2.gz DXZBIPQQZQBSHQ-NXEZZACHSA-N 2 0 236.319 0.853 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662283824 412074601 /nfs/dbraw/zinc/07/46/01/412074601.db2.gz QGJBTTUODAZOCA-QJPTWQEYSA-N 3 0 239.363 0.367 20 0 BCADRP CC[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037859656 171341699 /nfs/dbraw/zinc/34/16/99/171341699.db2.gz VVOSCRMNBMBCIG-QWRGUYRKSA-N 2 0 200.326 0.831 20 0 BCADRP COc1ccc(C[N@H+](C)CCOCC[NH3+])cn1 ZINC000662294352 412081529 /nfs/dbraw/zinc/08/15/29/412081529.db2.gz BGJXKKYFDPFACW-UHFFFAOYSA-N 2 0 239.319 0.497 20 0 BCADRP c1cn(C[C@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)nn1 ZINC000662294337 412082044 /nfs/dbraw/zinc/08/20/44/412082044.db2.gz ASADYMGSPUSFTL-OLZOCXBDSA-N 2 0 249.362 0.600 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000247124326 171370578 /nfs/dbraw/zinc/37/05/78/171370578.db2.gz MYZPJUKICBEDCP-IVZWLZJFSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@H+](CC)C1CC1 ZINC000226398096 171370925 /nfs/dbraw/zinc/37/09/25/171370925.db2.gz RGZVHDIDRCORHI-CMPLNLGQSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000019480112 171371243 /nfs/dbraw/zinc/37/12/43/171371243.db2.gz VCLGQFZCLYCOTD-SDDRHHMPSA-N 2 0 241.379 0.960 20 0 BCADRP c1cn(C[C@@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)nn1 ZINC000662294336 412082452 /nfs/dbraw/zinc/08/24/52/412082452.db2.gz ASADYMGSPUSFTL-CHWSQXEVSA-N 2 0 249.362 0.600 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000375255225 171393846 /nfs/dbraw/zinc/39/38/46/171393846.db2.gz DMRBEGHKNLMXCL-NGDQXYMTSA-N 2 0 239.363 0.841 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368382921 171394650 /nfs/dbraw/zinc/39/46/50/171394650.db2.gz BLHCZHVSOZRBSI-MMWGEVLESA-N 2 0 225.336 0.180 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484903 171395484 /nfs/dbraw/zinc/39/54/84/171395484.db2.gz SFONRDQYIAQCBS-DCAQKATOSA-N 2 0 227.352 0.428 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000364775508 171396015 /nfs/dbraw/zinc/39/60/15/171396015.db2.gz HYPOGRBTDRMZEI-AXFHLTTASA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000662386494 412139801 /nfs/dbraw/zinc/13/98/01/412139801.db2.gz BBJPZVZGALLNLK-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000662387164 412140389 /nfs/dbraw/zinc/14/03/89/412140389.db2.gz ITWWLEWYZVRGFT-SRVKXCTJSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]CCC[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000662301429 412085998 /nfs/dbraw/zinc/08/59/98/412085998.db2.gz CSAGGXNOUYXYQP-TXEJJXNPSA-N 2 0 212.337 0.954 20 0 BCADRP C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CCC[NH3+] ZINC000662301229 412086646 /nfs/dbraw/zinc/08/66/46/412086646.db2.gz PMDRXCVYXFLKDJ-QWRGUYRKSA-N 2 0 200.326 0.818 20 0 BCADRP [NH3+]CCOCCN1C[C@@H]([NH3+])CCc2ccccc21 ZINC000662302772 412089855 /nfs/dbraw/zinc/08/98/55/412089855.db2.gz OQYQUSKCWFZTDX-ZDUSSCGKSA-N 2 0 249.358 0.742 20 0 BCADRP C[N@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1COCCO1 ZINC000662307732 412092460 /nfs/dbraw/zinc/09/24/60/412092460.db2.gz YKRKZGXLVLKITQ-NEPJUHHUSA-N 2 0 228.336 0.333 20 0 BCADRP C[C@@H]1CCC[N@H+](CC(=O)N(C)C)[C@@H]1CCC[NH3+] ZINC000662315253 412095686 /nfs/dbraw/zinc/09/56/86/412095686.db2.gz GWCLWYJKUVWCND-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP CC[C@@H](O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323363 412101462 /nfs/dbraw/zinc/10/14/62/412101462.db2.gz YXIWHADUBTWBEW-CHWSQXEVSA-N 2 0 244.379 0.800 20 0 BCADRP CN(C[C@@H]1CC[NH2+]C1)[C@H](C[NH3+])C(F)(F)F ZINC000662328883 412105130 /nfs/dbraw/zinc/10/51/30/412105130.db2.gz WFHBKXSRJDQUKL-HTQZYQBOSA-N 2 0 225.258 0.417 20 0 BCADRP CN(CC[C@@H]1CC[NH2+]C1)[C@H](C[NH3+])C(F)(F)F ZINC000662331712 412105295 /nfs/dbraw/zinc/10/52/95/412105295.db2.gz QAVGFCHFFKNLRW-DTWKUNHWSA-N 2 0 239.285 0.807 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@H+](C)C[C@H]1CC1(C)C ZINC000662332462 412106200 /nfs/dbraw/zinc/10/62/00/412106200.db2.gz WDQNDNVLTIOYIX-PWSUYJOCSA-N 2 0 214.353 0.935 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000662389849 412142218 /nfs/dbraw/zinc/14/22/18/412142218.db2.gz FLXRWHQNNZPXSE-JTQLQIEISA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000662337826 412108432 /nfs/dbraw/zinc/10/84/32/412108432.db2.gz URKYWTZOEBCQER-LLVKDONJSA-N 2 0 227.352 0.537 20 0 BCADRP CC[NH+](CC)CCCNC(=O)C1([NH+](C)C)CC1 ZINC000665151404 412113550 /nfs/dbraw/zinc/11/35/50/412113550.db2.gz CYXGWKLPDXTZAJ-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000662392182 412143397 /nfs/dbraw/zinc/14/33/97/412143397.db2.gz PWPOEZTZLUUYBJ-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000662348411 412119011 /nfs/dbraw/zinc/11/90/11/412119011.db2.gz VCVCOMSGYRZJJN-JTQLQIEISA-N 2 0 229.368 0.688 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000662364293 412122794 /nfs/dbraw/zinc/12/27/94/412122794.db2.gz XOGBLVZAXXGQBC-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000662364297 412124182 /nfs/dbraw/zinc/12/41/82/412124182.db2.gz XOGBLVZAXXGQBC-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[NH+](CC)CC ZINC000662367802 412125802 /nfs/dbraw/zinc/12/58/02/412125802.db2.gz PJYMLQQJCYQKIT-SNVBAGLBSA-N 2 0 215.341 0.442 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[NH+]1CCCCCC1 ZINC000662379566 412131487 /nfs/dbraw/zinc/13/14/87/412131487.db2.gz DFOVHMGVTYXGSK-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000662439527 412175317 /nfs/dbraw/zinc/17/53/17/412175317.db2.gz NCKWQTFRGBUTBP-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000662442109 412177054 /nfs/dbraw/zinc/17/70/54/412177054.db2.gz QJPLFGZMECNPAR-GXSJLCMTSA-N 2 0 227.352 0.583 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000037826117 171476566 /nfs/dbraw/zinc/47/65/66/171476566.db2.gz YTHDYKPCFUJKRS-NSHDSACASA-N 2 0 227.352 0.524 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](CC)[NH2+]C ZINC000662462841 412182572 /nfs/dbraw/zinc/18/25/72/412182572.db2.gz OQNYNANNSDETFF-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C[NH2+]C(C)C ZINC000662553718 412214716 /nfs/dbraw/zinc/21/47/16/412214716.db2.gz OQPPZESGBYSUGD-LLVKDONJSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H]1C[C@H](N[C@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000665243353 412186798 /nfs/dbraw/zinc/18/67/98/412186798.db2.gz AXYINMFMNVBZLU-DCAQKATOSA-N 2 0 209.337 0.563 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NCCO[C@H]1CC1(F)F ZINC000665244594 412187260 /nfs/dbraw/zinc/18/72/60/412187260.db2.gz RJJFYOBCBUTXGJ-UTLUCORTSA-N 2 0 234.290 0.998 20 0 BCADRP COCCC[N@H+](C)CCNC(=O)C[NH2+]C(C)C ZINC000662474661 412187483 /nfs/dbraw/zinc/18/74/83/412187483.db2.gz ASOXLCWMLMWPCY-UHFFFAOYSA-N 2 0 245.367 0.069 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000662553774 412214897 /nfs/dbraw/zinc/21/48/97/412214897.db2.gz LGIDPYRHSCRYJY-HBNTYKKESA-N 2 0 225.336 0.100 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CC1([NH3+])CCCC1 ZINC000665247248 412193805 /nfs/dbraw/zinc/19/38/05/412193805.db2.gz YLSCKTPUZYNDJY-LLVKDONJSA-N 3 0 229.368 0.601 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662554346 412215022 /nfs/dbraw/zinc/21/50/22/412215022.db2.gz PJUCTZZULWMGSX-SKDRFNHKSA-N 2 0 233.315 0.684 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000662496828 412195128 /nfs/dbraw/zinc/19/51/28/412195128.db2.gz BWZXMRHNENHEEB-ZYHUDNBSSA-N 2 0 239.363 0.583 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000662496825 412195529 /nfs/dbraw/zinc/19/55/29/412195529.db2.gz BWZXMRHNENHEEB-JQWIXIFHSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000662525395 412199441 /nfs/dbraw/zinc/19/94/41/412199441.db2.gz SAFNZBIRVJJDQH-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000662513649 412200504 /nfs/dbraw/zinc/20/05/04/412200504.db2.gz CIWYIFNPVRSVJV-VHSXEESVSA-N 2 0 213.325 0.193 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000662557887 412215669 /nfs/dbraw/zinc/21/56/69/412215669.db2.gz PHBGWOBKLALAOM-NXEZZACHSA-N 2 0 213.325 0.099 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662519588 412202248 /nfs/dbraw/zinc/20/22/48/412202248.db2.gz XATLMCXARRHMER-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662519624 412202359 /nfs/dbraw/zinc/20/23/59/412202359.db2.gz SWMZYVMUIGPZAD-MNOVXSKESA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662519535 412202830 /nfs/dbraw/zinc/20/28/30/412202830.db2.gz VREHNGHEUSAZGG-ZDUSSCGKSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000662520266 412203024 /nfs/dbraw/zinc/20/30/24/412203024.db2.gz HAUYOVMXBLLNNQ-GHMZBOCLSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000662525392 412203643 /nfs/dbraw/zinc/20/36/43/412203643.db2.gz SAFNZBIRVJJDQH-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH+](C)CCCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662523030 412203765 /nfs/dbraw/zinc/20/37/65/412203765.db2.gz IXJRKTRSVQDOIB-UHFFFAOYSA-N 2 0 247.342 0.971 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662522743 412204120 /nfs/dbraw/zinc/20/41/20/412204120.db2.gz MVJNYJDDSXDTEU-SRVKXCTJSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662522744 412204199 /nfs/dbraw/zinc/20/41/99/412204199.db2.gz MVJNYJDDSXDTEU-TUAOUCFPSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000662542158 412209660 /nfs/dbraw/zinc/20/96/60/412209660.db2.gz KJEGPRGBAMKOSA-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000662398401 412147124 /nfs/dbraw/zinc/14/71/24/412147124.db2.gz RCUZIPOGHPSCJG-DCAQKATOSA-N 2 0 227.352 0.713 20 0 BCADRP C[NH2+]CCCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662399049 412147343 /nfs/dbraw/zinc/14/73/43/412147343.db2.gz ZQEHWIQBIVGNCO-UHFFFAOYSA-N 2 0 233.315 0.629 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000662398403 412147711 /nfs/dbraw/zinc/14/77/11/412147711.db2.gz RCUZIPOGHPSCJG-GARJFASQSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662397515 412147746 /nfs/dbraw/zinc/14/77/46/412147746.db2.gz GMSIDCWFHYEQCA-NAKRPEOUSA-N 2 0 225.336 0.452 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H](CC)[NH2+]C ZINC000662399456 412149090 /nfs/dbraw/zinc/14/90/90/412149090.db2.gz NJANDSQZRPAZCR-SECBINFHSA-N 2 0 201.314 0.100 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662403546 412149887 /nfs/dbraw/zinc/14/98/87/412149887.db2.gz GCVREQHLEUKCKH-JTQLQIEISA-N 2 0 231.299 0.463 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000662402847 412150701 /nfs/dbraw/zinc/15/07/01/412150701.db2.gz PDIWJYAJZJARJT-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000662406537 412151357 /nfs/dbraw/zinc/15/13/57/412151357.db2.gz YQBPBTUENCVJRW-VQXHTEKXSA-N 2 0 239.363 0.761 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662406894 412151404 /nfs/dbraw/zinc/15/14/04/412151404.db2.gz MGRZISHDTHISGV-SNVBAGLBSA-N 2 0 237.347 0.455 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC1CCC([NH3+])CC1 ZINC000662405947 412151779 /nfs/dbraw/zinc/15/17/79/412151779.db2.gz SUPVEIAXSOHDSX-RTBKNWGFSA-N 2 0 213.325 0.371 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000662405105 412152330 /nfs/dbraw/zinc/15/23/30/412152330.db2.gz VIOWFKODMRXVBT-RYUDHWBXSA-N 2 0 241.379 0.805 20 0 BCADRP C[NH2+]CCNC(=O)c1ccn2c(C)cnc2c1 ZINC000662407973 412153182 /nfs/dbraw/zinc/15/31/82/412153182.db2.gz KJGUSIUJHRNAAS-UHFFFAOYSA-N 2 0 232.287 0.592 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)CC1([NH3+])CC1 ZINC000662410207 412153980 /nfs/dbraw/zinc/15/39/80/412153980.db2.gz IXCCEBDFVPTROR-UHFFFAOYSA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCCC[NH2+]C(C)C ZINC000662409690 412154219 /nfs/dbraw/zinc/15/42/19/412154219.db2.gz MIUSYNWKXZYHQW-JTQLQIEISA-N 2 0 215.341 0.489 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662410240 412154817 /nfs/dbraw/zinc/15/48/17/412154817.db2.gz PXKVNUHCEVFFSU-SECBINFHSA-N 2 0 225.336 0.454 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000662411827 412155848 /nfs/dbraw/zinc/15/58/48/412155848.db2.gz AHSLQCMWEGVFRE-WDEREUQCSA-N 2 0 239.363 0.490 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000662412740 412155980 /nfs/dbraw/zinc/15/59/80/412155980.db2.gz IONQYDWCBBODAE-VHSXEESVSA-N 2 0 213.325 0.100 20 0 BCADRP CN(C(=O)c1cccc2c1C[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000662415671 412156789 /nfs/dbraw/zinc/15/67/89/412156789.db2.gz VGFKUNWVMILHLU-LLVKDONJSA-N 2 0 245.326 0.724 20 0 BCADRP CCCN(C(=O)CC1([NH3+])CC1)[C@@H]1CC[NH2+]C1 ZINC000662413148 412156817 /nfs/dbraw/zinc/15/68/17/412156817.db2.gz LQOSEGHIKVYYAM-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662415980 412158554 /nfs/dbraw/zinc/15/85/54/412158554.db2.gz OYXPFEBLASUIFH-NSHDSACASA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[C@@H]1[NH3+] ZINC000662418130 412160395 /nfs/dbraw/zinc/16/03/95/412160395.db2.gz PKIDOFOZMSNZFF-ZNSHCXBVSA-N 2 0 225.336 0.310 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000662551275 412213938 /nfs/dbraw/zinc/21/39/38/412213938.db2.gz BHTZICAPCWGQJZ-YFKTTZPYSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]([NH3+])C(C)C ZINC000662421618 412161635 /nfs/dbraw/zinc/16/16/35/412161635.db2.gz FFAFYUUVLMKMAF-DTWKUNHWSA-N 2 0 201.314 0.084 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000662422115 412163051 /nfs/dbraw/zinc/16/30/51/412163051.db2.gz ZIBAPCUMTNFRHA-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000662551887 412213998 /nfs/dbraw/zinc/21/39/98/412213998.db2.gz HOTTZTLXUXYBBL-JTQLQIEISA-N 2 0 227.352 0.490 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000662552282 412214043 /nfs/dbraw/zinc/21/40/43/412214043.db2.gz RKPQOKLBPMEOLX-AEJSXWLSSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](C)C[NH3+] ZINC000662551483 412214047 /nfs/dbraw/zinc/21/40/47/412214047.db2.gz CICYMYJOVBKZSG-ZJUUUORDSA-N 2 0 215.341 0.461 20 0 BCADRP CO[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])[C@@H]1CCOC1 ZINC000665234627 412164580 /nfs/dbraw/zinc/16/45/80/412164580.db2.gz HLPALJMVDUVXLH-IRCOFANPSA-N 2 0 230.352 0.753 20 0 BCADRP CO[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])[C@H]1CCOC1 ZINC000665234629 412164667 /nfs/dbraw/zinc/16/46/67/412164667.db2.gz HLPALJMVDUVXLH-WISYIIOYSA-N 2 0 230.352 0.753 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000662425901 412165203 /nfs/dbraw/zinc/16/52/03/412165203.db2.gz OJFPUFJTBHMKKE-DBIOUOCHSA-N 2 0 223.320 0.077 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000662426987 412165594 /nfs/dbraw/zinc/16/55/94/412165594.db2.gz JWZQRMOSLYXQHB-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CC1([NH3+])CC1 ZINC000662428073 412167369 /nfs/dbraw/zinc/16/73/69/412167369.db2.gz MHDSTSLEXJEOTA-JTQLQIEISA-N 2 0 227.352 0.700 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](CC)[NH2+]C ZINC000662430383 412168536 /nfs/dbraw/zinc/16/85/36/412168536.db2.gz VVUHLPXEMMDDLO-NXEZZACHSA-N 2 0 215.341 0.618 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](CC)[NH2+]C ZINC000662430387 412168756 /nfs/dbraw/zinc/16/87/56/412168756.db2.gz VVUHLPXEMMDDLO-ZJUUUORDSA-N 2 0 215.341 0.618 20 0 BCADRP COC[C@H](CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])OC ZINC000665234396 412174492 /nfs/dbraw/zinc/17/44/92/412174492.db2.gz CFIHLMYZFXGKBQ-VWYCJHECSA-N 2 0 218.341 0.753 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](CO)C1CCC1 ZINC000665235114 412174719 /nfs/dbraw/zinc/17/47/19/412174719.db2.gz PXYRWPHOZKALBQ-RYUDHWBXSA-N 2 0 230.352 0.491 20 0 BCADRP [NH3+]Cc1cc(C(=O)NCC2([NH3+])CCCC2)ccn1 ZINC000662648780 412255908 /nfs/dbraw/zinc/25/59/08/412255908.db2.gz JSZCPBQFYPENBB-UHFFFAOYSA-N 2 0 248.330 0.542 20 0 BCADRP [NH3+]CCCCC(=O)NCC1([NH3+])CCCC1 ZINC000662649454 412255922 /nfs/dbraw/zinc/25/59/22/412255922.db2.gz PTPDPHIEUWLLDZ-UHFFFAOYSA-N 2 0 213.325 0.503 20 0 BCADRP [NH3+]C1(CNC(=O)C[C@H]2CCC[NH2+]2)CCCC1 ZINC000662650252 412256515 /nfs/dbraw/zinc/25/65/15/412256515.db2.gz XUINSRCZZXLZLT-SNVBAGLBSA-N 2 0 225.336 0.516 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC1([NH3+])CCCC1 ZINC000662648245 412256610 /nfs/dbraw/zinc/25/66/10/412256610.db2.gz HTGIKPXVNYCXKT-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC1([NH3+])CCCC1 ZINC000662648524 412256789 /nfs/dbraw/zinc/25/67/89/412256789.db2.gz IAWUTBCLJNNVRG-IUCAKERBSA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H]2CCC[NH2+]2)CCCC1 ZINC000662655159 412257428 /nfs/dbraw/zinc/25/74/28/412257428.db2.gz NIZHMRSMDYMKHN-VIFPVBQESA-N 2 0 211.309 0.126 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000662654679 412257666 /nfs/dbraw/zinc/25/76/66/412257666.db2.gz KULUXEGAHZBZOA-SNVBAGLBSA-N 2 0 227.352 0.748 20 0 BCADRP [NH3+]C1(CNC(=O)C2CC[NH2+]CC2)CCCC1 ZINC000662655425 412258277 /nfs/dbraw/zinc/25/82/77/412258277.db2.gz OPQKVHLQYFJQSL-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662658977 412259978 /nfs/dbraw/zinc/25/99/78/412259978.db2.gz HEKPZQISLVQHKR-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCCC[NH+](CC)CC ZINC000662658924 412260292 /nfs/dbraw/zinc/26/02/92/412260292.db2.gz MPVWFJXKUOAZHK-LLVKDONJSA-N 2 0 229.368 0.833 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662658740 412260359 /nfs/dbraw/zinc/26/03/59/412260359.db2.gz CVLYIUWGTCXJFT-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000662671863 412266032 /nfs/dbraw/zinc/26/60/32/412266032.db2.gz PJFMRSHYKNRBLX-HAQNSBGRSA-N 2 0 239.363 0.716 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000662669093 412266541 /nfs/dbraw/zinc/26/65/41/412266541.db2.gz VCHDBRAVIOCVQV-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662676292 412267551 /nfs/dbraw/zinc/26/75/51/412267551.db2.gz UMFQTPGHOSXKQF-ZSWLNHAKSA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000662683434 412269239 /nfs/dbraw/zinc/26/92/39/412269239.db2.gz NYVHGQQXZFEYOL-PCQVFGIUSA-N 2 0 237.347 0.454 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662681231 412269441 /nfs/dbraw/zinc/26/94/41/412269441.db2.gz XCRCLLIHCISDDZ-GRZMOONWSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@H](C)Cn1ccnc1 ZINC000662688907 412272195 /nfs/dbraw/zinc/27/21/95/412272195.db2.gz RAAIYWKRTWKMEF-NSHDSACASA-N 2 0 238.335 0.633 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000662695401 412274534 /nfs/dbraw/zinc/27/45/34/412274534.db2.gz ZPHGQGCNSABMHK-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000662695404 412274600 /nfs/dbraw/zinc/27/46/00/412274600.db2.gz ZPHGQGCNSABMHK-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000662695302 412274629 /nfs/dbraw/zinc/27/46/29/412274629.db2.gz YZNDQGXUOKBFGY-RYUDHWBXSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662702738 412275262 /nfs/dbraw/zinc/27/52/62/412275262.db2.gz MEWYTAPZEMUHAK-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](CCC)C1 ZINC000662702630 412275445 /nfs/dbraw/zinc/27/54/45/412275445.db2.gz AQJFQWVIHLSBHU-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1CCN(C(=O)CCCC[NH3+])[C@H](C[NH3+])C1 ZINC000662698143 412275719 /nfs/dbraw/zinc/27/57/19/412275719.db2.gz IEKMCPQGXLGFPD-MNOVXSKESA-N 2 0 227.352 0.701 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662703960 412276756 /nfs/dbraw/zinc/27/67/56/412276756.db2.gz XJTKKYPNZDUXCI-OPRDCNLKSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662711227 412280031 /nfs/dbraw/zinc/28/00/31/412280031.db2.gz MYKOLFBFCBMSRH-GMTAPVOTSA-N 2 0 227.352 0.570 20 0 BCADRP O=C(NCC12CC(C1)C[NH2+]2)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000662714600 412280806 /nfs/dbraw/zinc/28/08/06/412280806.db2.gz JKKGBQVMCIEHJO-BGZAYEDQSA-N 2 0 249.358 0.244 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000662717560 412280844 /nfs/dbraw/zinc/28/08/44/412280844.db2.gz PERJBURTWTYYKG-AKJDGMEZSA-N 2 0 237.347 0.387 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NCC23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000662719306 412282026 /nfs/dbraw/zinc/28/20/26/412282026.db2.gz YSQWOVNTVGZPBH-URAGZPLESA-N 2 0 237.347 0.243 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)NCC12CC(C1)C[NH2+]2 ZINC000662719055 412282376 /nfs/dbraw/zinc/28/23/76/412282376.db2.gz WERLGNNNEPVGSY-XSRFYTQQSA-N 2 0 237.347 0.244 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662724165 412284600 /nfs/dbraw/zinc/28/46/00/412284600.db2.gz MBSKHWBLKFLKIH-ZYHUDNBSSA-N 2 0 229.368 0.994 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662730846 412286382 /nfs/dbraw/zinc/28/63/82/412286382.db2.gz RIXRPGCZJBGFGB-WDEREUQCSA-N 2 0 229.368 0.864 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)c1coc(C[NH3+])c1 ZINC000662730312 412286756 /nfs/dbraw/zinc/28/67/56/412286756.db2.gz BYZLGIMUIYDTCZ-LLVKDONJSA-N 2 0 239.319 0.842 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000662731158 412286997 /nfs/dbraw/zinc/28/69/97/412286997.db2.gz YVXNDJIIZWQBIL-MNOVXSKESA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000662731114 412287029 /nfs/dbraw/zinc/28/70/29/412287029.db2.gz YRHXHSLNBVPDEB-GMTAPVOTSA-N 2 0 227.352 0.474 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662731561 412287045 /nfs/dbraw/zinc/28/70/45/412287045.db2.gz GXMFKKPDNZALJL-NXEZZACHSA-N 2 0 215.341 0.474 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C1([NH3+])CCC1 ZINC000662730513 412287180 /nfs/dbraw/zinc/28/71/80/412287180.db2.gz HPGCHTPUWYCZQU-SECBINFHSA-N 2 0 213.325 0.357 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC(C)([NH3+])CC1 ZINC000662556503 412216558 /nfs/dbraw/zinc/21/65/58/412216558.db2.gz SXMGEZXCURMBOG-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC(C)([NH3+])CC1 ZINC000662556697 412216690 /nfs/dbraw/zinc/21/66/90/412216690.db2.gz WAUQDPFWFUZBOE-JTQLQIEISA-N 2 0 243.351 0.079 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000662559454 412218118 /nfs/dbraw/zinc/21/81/18/412218118.db2.gz ACACTQFQMDZFLC-ZDCRXTMVSA-N 2 0 225.336 0.371 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000662560362 412218472 /nfs/dbraw/zinc/21/84/72/412218472.db2.gz IOHOWOVKMGIYPE-LPEHRKFASA-N 2 0 231.315 0.143 20 0 BCADRP C[C@@H](C[C@H]1COCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000665279466 412220220 /nfs/dbraw/zinc/22/02/20/412220220.db2.gz CWYCGTSFHGKZFI-QCXCNERSSA-N 2 0 239.363 0.095 20 0 BCADRP C[C@@H](CCCCO)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665278529 412220961 /nfs/dbraw/zinc/22/09/61/412220961.db2.gz HNFBAXADSLEMCU-UNXYVOJBSA-N 2 0 212.337 0.879 20 0 BCADRP C[C@H]1C[C@H](NCC23CC(C2)C[NH2+]3)CC[N@@H+]1C ZINC000665277760 412220981 /nfs/dbraw/zinc/22/09/81/412220981.db2.gz KVEANKJZDYRMEA-GMKTYKIGSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662565929 412221473 /nfs/dbraw/zinc/22/14/73/412221473.db2.gz ASXGSMHGCKCVSS-BDAKNGLRSA-N 2 0 233.315 0.755 20 0 BCADRP C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000665278098 412221556 /nfs/dbraw/zinc/22/15/56/412221556.db2.gz VBRWLSIUJSDWDK-QPPOZKHWSA-N 2 0 235.375 0.955 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)CCO1 ZINC000665278340 412221592 /nfs/dbraw/zinc/22/15/92/412221592.db2.gz BLUCJANWLOGCIZ-UZEXVOJHSA-N 2 0 210.321 0.896 20 0 BCADRP COC[C@@H](CCC[NH3+])NCC12CC(C1)C[NH2+]2 ZINC000665279785 412223780 /nfs/dbraw/zinc/22/37/80/412223780.db2.gz MFWSXRIZOQYJKO-MOENNCHZSA-N 2 0 227.352 0.082 20 0 BCADRP OC1CCC([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000665279956 412224820 /nfs/dbraw/zinc/22/48/20/412224820.db2.gz QCCVDKGYWGALET-UHFFFAOYSA-N 2 0 210.321 0.632 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000662571832 412224939 /nfs/dbraw/zinc/22/49/39/412224939.db2.gz KZAMINPINXGHJZ-UHFFFAOYSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H]1COCC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665280337 412225163 /nfs/dbraw/zinc/22/51/63/412225163.db2.gz ZGLGVODRSYBOAJ-QTAHKJALSA-N 2 0 210.321 0.753 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000662572643 412225133 /nfs/dbraw/zinc/22/51/33/412225133.db2.gz ZZAIZPNIMHMVDD-ZJUUUORDSA-N 2 0 227.352 0.489 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000662575964 412226277 /nfs/dbraw/zinc/22/62/77/412226277.db2.gz XMFXIBIIQSVHQU-UTLUCORTSA-N 2 0 213.325 0.038 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCCC1CC[NH2+]CC1 ZINC000662585462 412227062 /nfs/dbraw/zinc/22/70/62/412227062.db2.gz YRNJVKJCKUEIRS-NSHDSACASA-N 2 0 227.352 0.490 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCCC1(C[NH3+])CC1 ZINC000662582168 412228946 /nfs/dbraw/zinc/22/89/46/412228946.db2.gz NOBVOJAKKKYEKL-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000662585519 412230625 /nfs/dbraw/zinc/23/06/25/412230625.db2.gz XAFSMSYROGRKEM-AXFHLTTASA-N 2 0 227.352 0.441 20 0 BCADRP C[NH2+]C[C@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000665296690 412230962 /nfs/dbraw/zinc/23/09/62/412230962.db2.gz WLRUUMAVGZGATA-VHSXEESVSA-N 2 0 200.326 0.999 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662593618 412234000 /nfs/dbraw/zinc/23/40/00/412234000.db2.gz PQACUYZOGJMESC-MNOVXSKESA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662604169 412236537 /nfs/dbraw/zinc/23/65/37/412236537.db2.gz CQAMJQJMJCEDQI-IUCAKERBSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662606069 412237598 /nfs/dbraw/zinc/23/75/98/412237598.db2.gz XWGFJAARPUNLLA-JGVFFNPUSA-N 2 0 201.314 0.165 20 0 BCADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]C(C2CC2)C2CC2)n1 ZINC000665291743 412238026 /nfs/dbraw/zinc/23/80/26/412238026.db2.gz KBDAGLRJGYAHMD-UHFFFAOYSA-N 2 0 248.330 0.919 20 0 BCADRP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)[C@H]1CCOC1 ZINC000665295622 412242490 /nfs/dbraw/zinc/24/24/90/412242490.db2.gz GRKPHDPTRUQROY-DCAQKATOSA-N 2 0 200.326 0.999 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621063 412244822 /nfs/dbraw/zinc/24/48/22/412244822.db2.gz TZKMKJKVJMLGQB-LLVKDONJSA-N 2 0 241.379 0.973 20 0 BCADRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])S(C)(=O)=O ZINC000665299743 412246057 /nfs/dbraw/zinc/24/60/57/412246057.db2.gz RXEVCQHPHKHSIB-VWYCJHECSA-N 2 0 248.392 0.527 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOCCF)C1 ZINC000665298930 412246587 /nfs/dbraw/zinc/24/65/87/412246587.db2.gz CHXVCZFRODBHAP-NXEZZACHSA-N 2 0 204.289 0.832 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)S(C)(=O)=O ZINC000665299626 412247564 /nfs/dbraw/zinc/24/75/64/412247564.db2.gz QKSPUGZVKNLCDW-ZJUUUORDSA-N 2 0 236.381 0.527 20 0 BCADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])S(C)(=O)=O ZINC000665298834 412247828 /nfs/dbraw/zinc/24/78/28/412247828.db2.gz ALLXJMWPVRBGPO-OPRDCNLKSA-N 2 0 234.365 0.137 20 0 BCADRP C[C@H](CCNC(=O)CC[C@H](C)[NH3+])[NH+](C)C ZINC000662632912 412248462 /nfs/dbraw/zinc/24/84/62/412248462.db2.gz HOKXSVARCHDQQV-VHSXEESVSA-N 2 0 215.341 0.570 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662632569 412250463 /nfs/dbraw/zinc/25/04/63/412250463.db2.gz FADSTRDUWLUKSB-MNOVXSKESA-N 2 0 229.368 0.831 20 0 BCADRP C[C@H](CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+])[NH+](C)C ZINC000662632714 412250542 /nfs/dbraw/zinc/25/05/42/412250542.db2.gz GGVJHUARTKJZKH-GRYCIOLGSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000662634497 412250916 /nfs/dbraw/zinc/25/09/16/412250916.db2.gz RZUOQMYRZIDDSL-ZJUUUORDSA-N 2 0 215.341 0.298 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000662633256 412251396 /nfs/dbraw/zinc/25/13/96/412251396.db2.gz JRWQTLRJPKULOE-UWVGGRQHSA-N 2 0 215.341 0.441 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662633653 412251744 /nfs/dbraw/zinc/25/17/44/412251744.db2.gz NAZXLGIARSLTBD-NXEZZACHSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662813606 412308805 /nfs/dbraw/zinc/30/88/05/412308805.db2.gz AWLBSOPFNUEZES-LPEHRKFASA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000662815392 412309014 /nfs/dbraw/zinc/30/90/14/412309014.db2.gz TWBZZOFSQOAACT-CHWFTXMASA-N 2 0 225.336 0.167 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC(C)(C)CC[NH3+] ZINC000662817515 412309510 /nfs/dbraw/zinc/30/95/10/412309510.db2.gz IPSVPXCHCIBBPO-MRVPVSSYSA-N 2 0 201.314 0.228 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC000662816877 412310061 /nfs/dbraw/zinc/31/00/61/412310061.db2.gz QCZIWTZJWGIIFL-IJLUTSLNSA-N 2 0 245.326 0.640 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000662818804 412310080 /nfs/dbraw/zinc/31/00/80/412310080.db2.gz AVUWGCUIUCXHPY-HLTSFMKQSA-N 2 0 201.314 0.226 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)CC1([NH3+])CC1 ZINC000662821513 412311048 /nfs/dbraw/zinc/31/10/48/412311048.db2.gz ZIBYOQSSSINUQY-RKDXNWHRSA-N 2 0 211.309 0.254 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)CC2([NH3+])CC2)cc1 ZINC000662824203 412312193 /nfs/dbraw/zinc/31/21/93/412312193.db2.gz UCAJDRRSQLEFIL-UHFFFAOYSA-N 2 0 233.315 0.643 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000662829001 412313600 /nfs/dbraw/zinc/31/36/00/412313600.db2.gz KEVNUMIGZBOTCC-VWYCJHECSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000662830860 412313641 /nfs/dbraw/zinc/31/36/41/412313641.db2.gz WVCJIXLQKQKJRT-WOPDTQHZSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@H]1CC[NH3+] ZINC000662829661 412314324 /nfs/dbraw/zinc/31/43/24/412314324.db2.gz OWQQGHVNZZFQCT-BJDJZHNGSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000662832054 412315155 /nfs/dbraw/zinc/31/51/55/412315155.db2.gz IIUGNOLHKUWYFZ-UWVGGRQHSA-N 2 0 213.325 0.323 20 0 BCADRP [NH3+]CC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662844825 412319914 /nfs/dbraw/zinc/31/99/14/412319914.db2.gz BHUYFAWSWPWGCN-LLVKDONJSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@H](CCNC(=O)[C@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000662857661 412327275 /nfs/dbraw/zinc/32/72/75/412327275.db2.gz BZNCZPAMRYZBDK-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H](CCNC(=O)[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000662860372 412327872 /nfs/dbraw/zinc/32/78/72/412327872.db2.gz RIZXYWCUSAYDCJ-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H](CCNC(=O)CCC(C)(C)[NH3+])[NH+](C)C ZINC000662861155 412327895 /nfs/dbraw/zinc/32/78/95/412327895.db2.gz XVYVPCBDBUEVSG-JTQLQIEISA-N 2 0 229.368 0.960 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[NH+](C)C ZINC000662860980 412327971 /nfs/dbraw/zinc/32/79/71/412327971.db2.gz WNLJEDWSKKMRPI-DBIOUOCHSA-N 2 0 225.336 0.193 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000662873550 412332408 /nfs/dbraw/zinc/33/24/08/412332408.db2.gz ZIODHFJBQISFOP-YATPEIPISA-N 2 0 239.363 0.726 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662875591 412332491 /nfs/dbraw/zinc/33/24/91/412332491.db2.gz KYKLZUYOAHRUPA-UHFFFAOYSA-N 2 0 239.363 0.701 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CCC[NH2+]CC1 ZINC000662876088 412333397 /nfs/dbraw/zinc/33/33/97/412333397.db2.gz QEPOKPYQEHTTLW-AKJDGMEZSA-N 2 0 237.347 0.326 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])[NH+](C)C ZINC000662896966 412339161 /nfs/dbraw/zinc/33/91/61/412339161.db2.gz LYXMLUCBDNNJSB-VWYCJHECSA-N 2 0 227.352 0.522 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662923782 412346695 /nfs/dbraw/zinc/34/66/95/412346695.db2.gz RIECKGZMLVCBGT-QUNCOHTASA-N 2 0 237.347 0.243 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000662924918 412347424 /nfs/dbraw/zinc/34/74/24/412347424.db2.gz ASCHBUYBESQSDI-NWDGAFQWSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)c1c[nH+]ccc1N ZINC000662926249 412347526 /nfs/dbraw/zinc/34/75/26/412347526.db2.gz KHEHUONTIDXRMS-SNVBAGLBSA-N 2 0 236.319 0.597 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)C1([NH+](C)C)CC1 ZINC000665529598 412348719 /nfs/dbraw/zinc/34/87/19/412348719.db2.gz PEOGCFUBAJKQKQ-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@]1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000662945905 412351019 /nfs/dbraw/zinc/35/10/19/412351019.db2.gz WRHUENSHZRMVLS-FOGDFJRCSA-N 2 0 243.326 0.274 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000662952322 412351927 /nfs/dbraw/zinc/35/19/27/412351927.db2.gz CMFKNALSUVHHGU-IVZWLZJFSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@]1(C(=O)N2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000119217238 171710049 /nfs/dbraw/zinc/71/00/49/171710049.db2.gz PPNDFHVARPQQHX-PWSUYJOCSA-N 2 0 225.336 0.326 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[NH2+]C ZINC000662965016 412352315 /nfs/dbraw/zinc/35/23/15/412352315.db2.gz GZLMMCLVLWYHSO-VIFPVBQESA-N 2 0 201.314 0.052 20 0 BCADRP CC[C@]1(C(=O)NC[C@H](C)[NH2+]C)CC[NH2+]C1 ZINC000309534240 171710822 /nfs/dbraw/zinc/71/08/22/171710822.db2.gz WQBGGTMPDRCDRV-ONGXEEELSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662952778 412352760 /nfs/dbraw/zinc/35/27/60/412352760.db2.gz GWAIRZRJFPTBEA-YEJSDXFRSA-N 2 0 239.363 0.631 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)CC1CC[NH2+]CC1 ZINC000662954773 412353924 /nfs/dbraw/zinc/35/39/24/412353924.db2.gz ZJEYZLPXSQOMKI-SECBINFHSA-N 2 0 213.325 0.100 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C)C[NH2+]C ZINC000662964365 412356925 /nfs/dbraw/zinc/35/69/25/412356925.db2.gz DFGGYCRUKFRCMH-AEJSXWLSSA-N 2 0 213.325 0.099 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000662964382 412356974 /nfs/dbraw/zinc/35/69/74/412356974.db2.gz AHBXGSOOPILMNT-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H](C)C[NH2+]C ZINC000662965014 412357385 /nfs/dbraw/zinc/35/73/85/412357385.db2.gz GZLMMCLVLWYHSO-SECBINFHSA-N 2 0 201.314 0.052 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)CCC1CC[NH2+]CC1 ZINC000662965699 412357500 /nfs/dbraw/zinc/35/75/00/412357500.db2.gz LWIGKOMTZFLYQK-SNVBAGLBSA-N 2 0 227.352 0.490 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662968485 412359636 /nfs/dbraw/zinc/35/96/36/412359636.db2.gz IYIPCKPGKPPTPS-VIFPVBQESA-N 2 0 225.336 0.385 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662970340 412360471 /nfs/dbraw/zinc/36/04/71/412360471.db2.gz WJOTVBLHARPQAE-MNOVXSKESA-N 2 0 229.368 0.722 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663005010 412368055 /nfs/dbraw/zinc/36/80/55/412368055.db2.gz SHYHSMSCSODHLR-NSHDSACASA-N 2 0 213.325 0.243 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH2+]C)C[C@@H]1C ZINC000662744217 412289903 /nfs/dbraw/zinc/28/99/03/412289903.db2.gz YGJBIALHCOVBKA-SDDRHHMPSA-N 2 0 241.379 0.926 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000662746806 412290010 /nfs/dbraw/zinc/29/00/10/412290010.db2.gz RSCMTRZIJKAIEY-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CC1([NH3+])CC1 ZINC000662754358 412290888 /nfs/dbraw/zinc/29/08/88/412290888.db2.gz LMQOSCTXAVMFGX-KOLCDFICSA-N 2 0 237.347 0.467 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662750027 412291949 /nfs/dbraw/zinc/29/19/49/412291949.db2.gz NSSHRDCFKPZOES-SRVKXCTJSA-N 2 0 239.363 0.524 20 0 BCADRP [NH3+]C1(CC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000662758994 412292461 /nfs/dbraw/zinc/29/24/61/412292461.db2.gz XEHKHVAIXLXWES-SNVBAGLBSA-N 2 0 223.320 0.221 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662756918 412293119 /nfs/dbraw/zinc/29/31/19/412293119.db2.gz JHMXWYLCYDRLOB-JTQLQIEISA-N 2 0 247.342 0.657 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662763535 412293495 /nfs/dbraw/zinc/29/34/95/412293495.db2.gz FHTKOMLYLRKNFS-SNVBAGLBSA-N 2 0 247.342 0.799 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662763737 412293854 /nfs/dbraw/zinc/29/38/54/412293854.db2.gz IJYVFUQMEGPELH-SECBINFHSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662762026 412293990 /nfs/dbraw/zinc/29/39/90/412293990.db2.gz SKCMJDFWSZWIAE-MXWKQRLJSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662763946 412294611 /nfs/dbraw/zinc/29/46/11/412294611.db2.gz KRXZEVGQDZPXBA-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP CC1(CNC(=O)CC2([NH3+])CC2)CC[NH2+]CC1 ZINC000662765685 412294664 /nfs/dbraw/zinc/29/46/64/412294664.db2.gz UUIMCIIQRFSQNO-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662764848 412294704 /nfs/dbraw/zinc/29/47/04/412294704.db2.gz AWEBESMOCFQVQV-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000662764636 412295114 /nfs/dbraw/zinc/29/51/14/412295114.db2.gz LSPHNHUSNDMZAB-SECBINFHSA-N 2 0 225.336 0.372 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000662774858 412297881 /nfs/dbraw/zinc/29/78/81/412297881.db2.gz SSDRUIWOXXAHKE-MFKMUULPSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2[NH2+]CCC2(C)C)CC[NH2+]1 ZINC000662774703 412298265 /nfs/dbraw/zinc/29/82/65/412298265.db2.gz QXJTYAMJFYBFIA-GMTAPVOTSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662773902 412298341 /nfs/dbraw/zinc/29/83/41/412298341.db2.gz WIQUYGNGGRZQGU-OUAUKWLOSA-N 2 0 239.363 0.489 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000662782712 412299683 /nfs/dbraw/zinc/29/96/83/412299683.db2.gz GNXVKRMYBXOTFS-IUCAKERBSA-N 2 0 211.309 0.111 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000662781907 412300539 /nfs/dbraw/zinc/30/05/39/412300539.db2.gz WSLJHAGWMWRGKN-CHWFTXMASA-N 2 0 227.352 0.487 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCNc2cnccn2)C1 ZINC000572542005 412302004 /nfs/dbraw/zinc/30/20/04/412302004.db2.gz PZMZOFHJBNSQBK-GHMZBOCLSA-N 2 0 235.335 0.748 20 0 BCADRP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662788007 412302615 /nfs/dbraw/zinc/30/26/15/412302615.db2.gz FPJCHHVFKRPWER-IJLUTSLNSA-N 2 0 239.363 0.666 20 0 BCADRP Nc1ncnc(NCC[C@H]2CCC[NH2+]2)c1Cl ZINC000643028137 412302930 /nfs/dbraw/zinc/30/29/30/412302930.db2.gz RNGDWCLDXYJSEE-SSDOTTSWSA-N 2 0 241.726 1.266 20 0 BCADRP CC[C@@H](C(=O)N[C@@]1(C)CC[NH2+]C1)[NH+](CC)CC ZINC000663011728 412370229 /nfs/dbraw/zinc/37/02/29/412370229.db2.gz QTBKKOUMFFIMGP-AAEUAGOBSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@]1(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[NH2+]C1 ZINC000663015757 412372157 /nfs/dbraw/zinc/37/21/57/412372157.db2.gz YIRINIZNENEHAC-HOSYDEDBSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132945822 412373314 /nfs/dbraw/zinc/37/33/14/412373314.db2.gz HOZUDCICINUDKJ-KXUCPTDWSA-N 2 0 213.325 0.323 20 0 BCADRP CN(C(=O)NC[C@@H]1CCC[N@@H+]1C)C1CC([NH3+])C1 ZINC000333896878 172320359 /nfs/dbraw/zinc/32/03/59/172320359.db2.gz AWHRQLYQJFKOKD-YVNMAJEFSA-N 2 0 240.351 0.212 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000037898075 172357765 /nfs/dbraw/zinc/35/77/65/172357765.db2.gz DZXSASTWFAXLLL-SNVBAGLBSA-N 2 0 213.325 0.135 20 0 BCADRP CN(C)C(=O)CC[NH+]1CCC(C[NH3+])CC1 ZINC000037898079 172357981 /nfs/dbraw/zinc/35/79/81/172357981.db2.gz MPIZQCWHUFHXES-UHFFFAOYSA-N 2 0 213.325 0.135 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000310557946 172358488 /nfs/dbraw/zinc/35/84/88/172358488.db2.gz ZFWKBTPXDNCGRS-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062859089 172394865 /nfs/dbraw/zinc/39/48/65/172394865.db2.gz BLLVTMWTIHSKDM-CYBMUJFWSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364565336 172395157 /nfs/dbraw/zinc/39/51/57/172395157.db2.gz ZBJQSZJAJKTTPJ-ZWNOBZJWSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062859088 172395509 /nfs/dbraw/zinc/39/55/09/172395509.db2.gz BLLVTMWTIHSKDM-ZDUSSCGKSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH+](C)C/C=C/C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363058360 172397461 /nfs/dbraw/zinc/39/74/61/172397461.db2.gz NRUZRYVIUKROFN-FVOPLDGLSA-N 2 0 237.347 0.411 20 0 BCADRP C[NH+](C)CCCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000309476998 172438202 /nfs/dbraw/zinc/43/82/02/172438202.db2.gz SDUCXMANRNTQRH-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)C[NH2+]CC1CC1 ZINC000061645024 172494825 /nfs/dbraw/zinc/49/48/25/172494825.db2.gz IVXGRRRLHCNSHB-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000237147626 172519897 /nfs/dbraw/zinc/51/98/97/172519897.db2.gz IOQQXIDIMCSPAP-MNOVXSKESA-N 2 0 225.336 0.195 20 0 BCADRP C[N@@H+]1CCCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000037478188 173012121 /nfs/dbraw/zinc/01/21/21/173012121.db2.gz VGFMAYIFVSLYJB-UHFFFAOYSA-N 2 0 225.336 0.293 20 0 BCADRP C[N@@H+]1CCCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000037478189 173012134 /nfs/dbraw/zinc/01/21/34/173012134.db2.gz XDWPGXNSHWYOMF-UHFFFAOYSA-N 2 0 225.336 0.150 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000020246673 173012703 /nfs/dbraw/zinc/01/27/03/173012703.db2.gz XZAUPJHEAXQEKS-NSHDSACASA-N 2 0 225.336 0.293 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000337403968 173031781 /nfs/dbraw/zinc/03/17/81/173031781.db2.gz LAOQHVIQLXPYBS-LLVKDONJSA-N 2 0 240.351 0.086 20 0 BCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000237122808 173039381 /nfs/dbraw/zinc/03/93/81/173039381.db2.gz TYMDMHIQMPNLHA-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[N@@H+]1CCC[C@H]1C(=O)NCc1c[nH]cn1 ZINC000336530183 173050249 /nfs/dbraw/zinc/05/02/49/173050249.db2.gz QVOBBOVEIJHEHN-VIFPVBQESA-N 2 0 208.265 0.120 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](O)C1 ZINC000305660808 173050917 /nfs/dbraw/zinc/05/09/17/173050917.db2.gz OFTHRMWRZMBWKG-NWDGAFQWSA-N 2 0 212.337 0.927 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000224049230 173052628 /nfs/dbraw/zinc/05/26/28/173052628.db2.gz VHXFTZUSRCDXNG-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](CCO)CC1 ZINC000305100185 173053664 /nfs/dbraw/zinc/05/36/64/173053664.db2.gz BBNZPTFPBPJQHA-ZDUSSCGKSA-N 2 0 241.379 0.081 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000333934973 173053753 /nfs/dbraw/zinc/05/37/53/173053753.db2.gz JAGRBYYSZLMISQ-MNOVXSKESA-N 2 0 240.351 0.213 20 0 BCADRP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C1C[NH2+]C1 ZINC000378639458 173059090 /nfs/dbraw/zinc/05/90/90/173059090.db2.gz FGSVOIOORKWNDE-NWDGAFQWSA-N 2 0 237.347 0.291 20 0 BCADRP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C(C)(C)[NH3+] ZINC000371262371 173059246 /nfs/dbraw/zinc/05/92/46/173059246.db2.gz LGEQTKZOYYBGFR-QWRGUYRKSA-N 2 0 239.363 0.809 20 0 BCADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCSC2)CC1 ZINC000020128331 173078237 /nfs/dbraw/zinc/07/82/37/173078237.db2.gz JVDOKCCZOZILJQ-LBPRGKRZSA-N 2 0 243.420 0.719 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000037655368 173115245 /nfs/dbraw/zinc/11/52/45/173115245.db2.gz KIHAIHZQMWWFCK-LBPRGKRZSA-N 2 0 247.342 0.827 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)CCn2ccnc2)C1 ZINC000264682168 173115352 /nfs/dbraw/zinc/11/53/52/173115352.db2.gz ORTJXVUTYKIGLA-NSHDSACASA-N 2 0 236.319 0.341 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042168035 173116103 /nfs/dbraw/zinc/11/61/03/173116103.db2.gz MBBQDJNVFBUZSD-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000364094559 173143899 /nfs/dbraw/zinc/14/38/99/173143899.db2.gz MJCOAZPHJJDPBC-GARJFASQSA-N 2 0 243.326 0.097 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000037995414 173144432 /nfs/dbraw/zinc/14/44/32/173144432.db2.gz NNDZMOAQMSSYDS-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000037647110 173145169 /nfs/dbraw/zinc/14/51/69/173145169.db2.gz QCJWPXVHLIGUBM-DGCLKSJQSA-N 2 0 247.342 0.754 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)c2c[nH+]ccc2N)C1 ZINC000127278768 173147907 /nfs/dbraw/zinc/14/79/07/173147907.db2.gz SYMGSFBNEYPGDW-SECBINFHSA-N 2 0 234.303 0.345 20 0 BCADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000131284810 173150962 /nfs/dbraw/zinc/15/09/62/173150962.db2.gz GLJOZNYXFRAZIE-USZNOCQGSA-N 2 0 237.347 0.276 20 0 BCADRP CN1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1=O ZINC000310126692 173186693 /nfs/dbraw/zinc/18/66/93/173186693.db2.gz GCQABGAGVMEWOW-HSTDOPHLSA-N 2 0 237.347 0.432 20 0 BCADRP CN1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000336714622 173196055 /nfs/dbraw/zinc/19/60/55/173196055.db2.gz PEMNCFUCSOABPD-TUAOUCFPSA-N 2 0 237.347 0.434 20 0 BCADRP CNC(=[NH2+])NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000360285824 173209717 /nfs/dbraw/zinc/20/97/17/173209717.db2.gz VQDTWDNYAJBCCT-WDEREUQCSA-N 2 0 240.351 0.231 20 0 BCADRP CNC(=O)CCC[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000340709273 173238012 /nfs/dbraw/zinc/23/80/12/173238012.db2.gz HJURIMFXTULVJB-GFCCVEGCSA-N 2 0 227.352 0.444 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000309094859 173280641 /nfs/dbraw/zinc/28/06/41/173280641.db2.gz DMELJZZBAREXSI-VHSXEESVSA-N 2 0 215.341 0.298 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000353625258 173281044 /nfs/dbraw/zinc/28/10/44/173281044.db2.gz FSJZGKTUCKLSAG-BDAKNGLRSA-N 2 0 236.319 0.381 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+]C[C@H](C1CC1)N(C)C ZINC000309656198 173282161 /nfs/dbraw/zinc/28/21/61/173282161.db2.gz PWZXQCSBBYVSHD-GXSJLCMTSA-N 2 0 227.352 0.441 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1CN(C(C)C)C[C@@H]1C ZINC000358288764 173282823 /nfs/dbraw/zinc/28/28/23/173282823.db2.gz OHUVEHZWMSBIQW-SDDRHHMPSA-N 2 0 241.379 0.829 20 0 BCADRP CNC(=O)[C@@H](C)C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226439127 173293914 /nfs/dbraw/zinc/29/39/14/173293914.db2.gz XKSMTIDRQDKNKH-WDEREUQCSA-N 2 0 227.352 0.300 20 0 BCADRP C[NH2+]C1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000335622415 173322583 /nfs/dbraw/zinc/32/25/83/173322583.db2.gz JISYKCRGPCMVQS-LBPRGKRZSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]CC(=O)NCC[N@H+](C)C1CCCC1 ZINC000070946138 173328464 /nfs/dbraw/zinc/32/84/64/173328464.db2.gz RTOIAKWSAOLSLE-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000237231301 173328897 /nfs/dbraw/zinc/32/88/97/173328897.db2.gz IGNMIKHDMOCLAC-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000237221775 173328981 /nfs/dbraw/zinc/32/89/81/173328981.db2.gz HVWULPSBPKVGOL-RYUDHWBXSA-N 2 0 241.379 0.690 20 0 BCADRP C[NH2+]CC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000019503968 173329248 /nfs/dbraw/zinc/32/92/48/173329248.db2.gz SIEJFIHMIUSMFN-UHFFFAOYSA-N 2 0 249.358 0.844 20 0 BCADRP C[NH2+]CC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000165931792 173329325 /nfs/dbraw/zinc/32/93/25/173329325.db2.gz JJKIOCVVCJNKDZ-UHFFFAOYSA-N 2 0 235.331 0.454 20 0 BCADRP C[NH2+]CC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000077341706 173329511 /nfs/dbraw/zinc/32/95/11/173329511.db2.gz CVHVOQOEKPTRDS-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]CC(=O)NCC1([NH3+])CCCCCC1 ZINC000122418748 173329691 /nfs/dbraw/zinc/32/96/91/173329691.db2.gz WFNJOVCYMWCKFB-UHFFFAOYSA-N 2 0 213.325 0.374 20 0 BCADRP C[NH2+]CC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000237262131 173331309 /nfs/dbraw/zinc/33/13/09/173331309.db2.gz QRTMGVRYNABFQP-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP C[NH2+]CC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000237265337 173331458 /nfs/dbraw/zinc/33/14/58/173331458.db2.gz ZFEYQOWALRJTQG-SNVBAGLBSA-N 2 0 201.314 0.086 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000375911487 173339229 /nfs/dbraw/zinc/33/92/29/173339229.db2.gz GXDVNVORBMOYBC-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000043605929 173341029 /nfs/dbraw/zinc/34/10/29/173341029.db2.gz QTRORTLDJYAYQL-NSHDSACASA-N 2 0 229.368 0.688 20 0 BCADRP C[NH2+]CCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000043605515 173339409 /nfs/dbraw/zinc/33/94/09/173339409.db2.gz TVWCVWJGAUDBPK-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227411792 173339797 /nfs/dbraw/zinc/33/97/97/173339797.db2.gz JMJFHXRVRXOZCI-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000367649241 173339840 /nfs/dbraw/zinc/33/98/40/173339840.db2.gz QSHKUEHSVVYHID-PWSUYJOCSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH2+]CCC(=O)NCC[N@H+](C)C1CCCC1 ZINC000070946081 173339926 /nfs/dbraw/zinc/33/99/26/173339926.db2.gz XOPLNQOFXSXKML-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]CCC(=O)NCC(C)(C)C[NH+](C)C ZINC000043599680 173340235 /nfs/dbraw/zinc/34/02/35/173340235.db2.gz VWOOMQCOHAEVLO-UHFFFAOYSA-N 2 0 215.341 0.300 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000043604480 173340717 /nfs/dbraw/zinc/34/07/17/173340717.db2.gz TWIAOLMAGXUVPE-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000357240792 173341243 /nfs/dbraw/zinc/34/12/43/173341243.db2.gz KGAGLZQTBHDASP-MWLCHTKSSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000375070695 173343649 /nfs/dbraw/zinc/34/36/49/173343649.db2.gz JGRCNZXTPMGHKJ-UWVGGRQHSA-N 2 0 231.315 0.144 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000369914728 173343681 /nfs/dbraw/zinc/34/36/81/173343681.db2.gz XVDDBADFOAISOU-SRVKXCTJSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]CCCC(=O)NCC(C)(C)[NH+](C)C ZINC000040807252 173344057 /nfs/dbraw/zinc/34/40/57/173344057.db2.gz XIBRITJSQDGWAZ-UHFFFAOYSA-N 2 0 215.341 0.442 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000237202304 173344708 /nfs/dbraw/zinc/34/47/08/173344708.db2.gz SJYBWGSVUHMJGL-GHMZBOCLSA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000237202569 173344743 /nfs/dbraw/zinc/34/47/43/173344743.db2.gz RGKOKHDEAYFLGX-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+]CCCN(C)CC[C@H]([NH3+])C(C)C ZINC000309143425 173346169 /nfs/dbraw/zinc/34/61/69/173346169.db2.gz UHIOSMQNQWYQDV-NSHDSACASA-N 2 0 201.358 0.901 20 0 BCADRP C[NH2+]CCCNC(=O)C1([NH3+])CCCCC1 ZINC000131623601 173347495 /nfs/dbraw/zinc/34/74/95/173347495.db2.gz VYWSJJGJENUGKX-UHFFFAOYSA-N 2 0 213.325 0.374 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000083343677 173347758 /nfs/dbraw/zinc/34/77/58/173347758.db2.gz KMMJWSMEBFSUNK-VIFPVBQESA-N 2 0 201.314 0.086 20 0 BCADRP C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC000120981003 173347799 /nfs/dbraw/zinc/34/77/99/173347799.db2.gz JHLIPQGDLFXWDX-UHFFFAOYSA-N 2 0 201.314 0.052 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368112526 173347937 /nfs/dbraw/zinc/34/79/37/173347937.db2.gz DYUMTRXQPNCSNE-NWDGAFQWSA-N 2 0 239.363 0.348 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000083351452 173347938 /nfs/dbraw/zinc/34/79/38/173347938.db2.gz DYGVHVMKHYPQGS-LLVKDONJSA-N 2 0 221.304 0.412 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000368115589 173348187 /nfs/dbraw/zinc/34/81/87/173348187.db2.gz OPTVBQFJRMHGNG-WDEREUQCSA-N 2 0 227.352 0.346 20 0 BCADRP C[NH2+]CCN(C)C(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000237289254 173351325 /nfs/dbraw/zinc/35/13/25/173351325.db2.gz AWHFXZPJAMOALZ-LLVKDONJSA-N 2 0 241.379 0.690 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000070304851 173351829 /nfs/dbraw/zinc/35/18/29/173351829.db2.gz ZMQYGUTXCZEGDA-CYBMUJFWSA-N 2 0 247.342 0.379 20 0 BCADRP C[NH2+]CCNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000296298581 173355712 /nfs/dbraw/zinc/35/57/12/173355712.db2.gz FYJRJMSKCSHZPY-UHFFFAOYSA-N 2 0 247.342 0.324 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000092134488 173362371 /nfs/dbraw/zinc/36/23/71/173362371.db2.gz JXKAFVKRFKGZIE-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000226399312 173363565 /nfs/dbraw/zinc/36/35/65/173363565.db2.gz OXJOGNMJFLIZEY-ZJUUUORDSA-N 2 0 227.352 0.441 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@H+](CC(C)(C)O)C1 ZINC000040601601 173367585 /nfs/dbraw/zinc/36/75/85/173367585.db2.gz RCBHVEPHVSNTLD-JTQLQIEISA-N 2 0 200.326 0.689 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@H+](CCOCCOC)C1 ZINC000070027617 173367754 /nfs/dbraw/zinc/36/77/54/173367754.db2.gz OWXBERRGWAMPLC-LBPRGKRZSA-N 2 0 230.352 0.581 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000336269223 173369822 /nfs/dbraw/zinc/36/98/22/173369822.db2.gz SQFGUYKMXWHESY-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000366933992 173371777 /nfs/dbraw/zinc/37/17/77/173371777.db2.gz NCCYWXVTVMAYEL-KATARQTJSA-N 2 0 231.315 0.128 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000261551635 173373884 /nfs/dbraw/zinc/37/38/84/173373884.db2.gz QQEITJAYVCHWQL-GUBZILKMSA-N 2 0 213.325 0.051 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000092133861 173374230 /nfs/dbraw/zinc/37/42/30/173374230.db2.gz VUXIEMUGYLVDPV-QWRGUYRKSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000226394646 173374234 /nfs/dbraw/zinc/37/42/34/173374234.db2.gz MDPIFUYNFITDKD-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000237056388 173374857 /nfs/dbraw/zinc/37/48/57/173374857.db2.gz HRNWKSARQYENOT-AXFHLTTASA-N 2 0 227.352 0.476 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000357312926 173375056 /nfs/dbraw/zinc/37/50/56/173375056.db2.gz KKTPVRAMKDQNMB-UKKRHICBSA-N 2 0 227.352 0.345 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237301511 173378810 /nfs/dbraw/zinc/37/88/10/173378810.db2.gz DVNYNWVCWSPNJI-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000368004483 173461203 /nfs/dbraw/zinc/46/12/03/173461203.db2.gz DPTLWSZXCVIINR-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP COC1(C[NH2+]C[C@@](C)(O)C[NH+](C)C)CCCC1 ZINC000319339264 174001884 /nfs/dbraw/zinc/00/18/84/174001884.db2.gz QPBSHGXXEJKKOT-GFCCVEGCSA-N 2 0 244.379 0.848 20 0 BCADRP COCC[N@H+](C)CCNC(=O)[C@H]([NH3+])CC(C)C ZINC000061380608 174277822 /nfs/dbraw/zinc/27/78/22/174277822.db2.gz YCAMHBSBYNEQIM-LLVKDONJSA-N 2 0 245.367 0.054 20 0 BCADRP COCC[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000051919128 174279789 /nfs/dbraw/zinc/27/97/89/174279789.db2.gz IVPRIAUMLJSPHS-NSHDSACASA-N 2 0 200.326 0.954 20 0 BCADRP COCC[NH+](CCOC)CC[C@H]1CCC[NH2+]C1 ZINC000051919113 174295994 /nfs/dbraw/zinc/29/59/94/174295994.db2.gz RDSUWOJQTOEEJX-CYBMUJFWSA-N 2 0 244.379 0.971 20 0 BCADRP COCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371292671 174311742 /nfs/dbraw/zinc/31/17/42/174311742.db2.gz CUSVERRKUJRFTO-RWMBFGLXSA-N 2 0 242.363 0.816 20 0 BCADRP COCCN1CC[C@H]([NH2+][C@H](C)CCCCO)C1 ZINC000352746359 174316368 /nfs/dbraw/zinc/31/63/68/174316368.db2.gz PQBUMWQKAWTRJX-OLZOCXBDSA-N 2 0 244.379 0.848 20 0 BCADRP COCCOCCN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000226971940 174353188 /nfs/dbraw/zinc/35/31/88/174353188.db2.gz XXYLDXYOIWYYFH-RYUDHWBXSA-N 2 0 230.352 0.709 20 0 BCADRP COCCOCCN1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000070531748 174353731 /nfs/dbraw/zinc/35/37/31/174353731.db2.gz ARMLCRUIXSAKGB-NEPJUHHUSA-N 2 0 230.352 0.851 20 0 BCADRP COCC[C@@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000120480674 174382402 /nfs/dbraw/zinc/38/24/02/174382402.db2.gz RCJGQAUNCQGLPO-GFCCVEGCSA-N 2 0 244.379 0.705 20 0 BCADRP COC[C@H](CO)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000300701064 174570310 /nfs/dbraw/zinc/57/03/10/174570310.db2.gz XHSSRLCCOWHJJI-XQQFMLRXSA-N 2 0 244.379 0.894 20 0 BCADRP CO[C@H](C)[C@@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000361175810 174842985 /nfs/dbraw/zinc/84/29/85/174842985.db2.gz STXNIKSYVBPKPM-VXGBXAGGSA-N 2 0 244.379 0.704 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CCC[NH+](CC)CC1 ZINC000383489543 487630277 /nfs/dbraw/zinc/63/02/77/487630277.db2.gz APEIQBYNIYNETP-CYBMUJFWSA-N 2 0 243.395 0.327 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336286713 175793634 /nfs/dbraw/zinc/79/36/34/175793634.db2.gz JCZBBWRZUGMKOQ-PSASIEDQSA-N 2 0 211.309 0.029 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000037801508 175794745 /nfs/dbraw/zinc/79/47/45/175794745.db2.gz BIKZXIKQFZHUNM-GFCCVEGCSA-N 2 0 249.358 0.924 20 0 BCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[NH3+] ZINC000237400378 176100280 /nfs/dbraw/zinc/10/02/80/176100280.db2.gz VUBDXQQKTXDVAS-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H](CNC(=O)C1([NH3+])CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237565993 176102987 /nfs/dbraw/zinc/10/29/87/176102987.db2.gz VBQKYYZICIBDFB-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000053298726 176168207 /nfs/dbraw/zinc/16/82/07/176168207.db2.gz AFJFGZVCJUBPJI-LLVKDONJSA-N 2 0 225.336 0.150 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])C1CCC1 ZINC000332472005 176184909 /nfs/dbraw/zinc/18/49/09/176184909.db2.gz MOTGRQSKZLUEAK-DVVUODLYSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000186752951 176185716 /nfs/dbraw/zinc/18/57/16/176185716.db2.gz OGYNKTKQUGMLEH-MDZLAQPJSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000357300333 176187274 /nfs/dbraw/zinc/18/72/74/176187274.db2.gz DWQRFHGVAUOZOH-UZWSLXQKSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C[NH2+]CC1CC1 ZINC000357313987 176187295 /nfs/dbraw/zinc/18/72/95/176187295.db2.gz KTSHIEPQPYGSQN-GIPNMCIBSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000367509401 176187607 /nfs/dbraw/zinc/18/76/07/176187607.db2.gz ZCCZLRZWMCRNER-SVDPJWKOSA-N 2 0 243.326 0.191 20 0 BCADRP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]2)[C@H](C)C[NH2+]1 ZINC000333846346 176251534 /nfs/dbraw/zinc/25/15/34/176251534.db2.gz PELPJWOEVWWNQH-MXWKQRLJSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CC2)[C@H](C)C[NH2+]1 ZINC000332147132 176251668 /nfs/dbraw/zinc/25/16/68/176251668.db2.gz NRZQIDDNPCYIND-KKZNHRDASA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCCCC[NH2+]2)CC[NH2+]1 ZINC000364466250 176257820 /nfs/dbraw/zinc/25/78/20/176257820.db2.gz LLPYIHZLJDQWCK-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]1CN(C(=O)c2coc(C[NH3+])c2)[C@H](C)C[NH2+]1 ZINC000334147192 176264869 /nfs/dbraw/zinc/26/48/69/176264869.db2.gz SWNGSNIOBITDIR-RKDXNWHRSA-N 2 0 237.303 0.561 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccn(C)n1 ZINC000355060390 176269877 /nfs/dbraw/zinc/26/98/77/176269877.db2.gz ODUQRIHSUKHRRV-YPMHNXCESA-N 2 0 236.363 0.892 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccn(C)n1 ZINC000355060385 176270738 /nfs/dbraw/zinc/27/07/38/176270738.db2.gz ODUQRIHSUKHRRV-DGCLKSJQSA-N 2 0 236.363 0.892 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+](C)CC1 ZINC000335605725 176272687 /nfs/dbraw/zinc/27/26/87/176272687.db2.gz GBXZXONWRDBNPX-PWSUYJOCSA-N 2 0 211.353 0.620 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000362390424 176275755 /nfs/dbraw/zinc/27/57/55/176275755.db2.gz SMNAERXXTSQEFF-VXGBXAGGSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)CC[NH3+] ZINC000331747274 176280786 /nfs/dbraw/zinc/28/07/86/176280786.db2.gz DQQJYCPQHCJWNC-KOLCDFICSA-N 2 0 240.351 0.069 20 0 BCADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1O ZINC000127617663 176286048 /nfs/dbraw/zinc/28/60/48/176286048.db2.gz JYEJKDLJDFXJEV-PWSUYJOCSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000309771427 176286088 /nfs/dbraw/zinc/28/60/88/176286088.db2.gz KNVPLRFXWKCQTQ-ZYHUDNBSSA-N 3 0 211.353 0.655 20 0 BCADRP C[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000108357030 176294092 /nfs/dbraw/zinc/29/40/92/176294092.db2.gz GEIDDZKMQLSEPV-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H]1C[N@H+](CCn2cccn2)CC[C@H]1[NH3+] ZINC000251683623 176296385 /nfs/dbraw/zinc/29/63/85/176296385.db2.gz HYGBVRCOYQCZPR-GHMZBOCLSA-N 2 0 208.309 0.552 20 0 BCADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC[NH2+]C1 ZINC000246546512 176322609 /nfs/dbraw/zinc/32/26/09/176322609.db2.gz QRVWWBVCEYQBPX-WOPDTQHZSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000094459697 176322861 /nfs/dbraw/zinc/32/28/61/176322861.db2.gz SSHLECNLALBECW-UTUOFQBUSA-N 2 0 237.347 0.434 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1([NH3+])CCCC1 ZINC000335290624 176327636 /nfs/dbraw/zinc/32/76/36/176327636.db2.gz KUWNCVJGSOHZTO-ZJUUUORDSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000333537321 176330069 /nfs/dbraw/zinc/33/00/69/176330069.db2.gz KIRDLPGVTZOMSP-OPRDCNLKSA-N 2 0 225.336 0.099 20 0 BCADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000309817447 176341282 /nfs/dbraw/zinc/34/12/82/176341282.db2.gz VPBGXECSIYZNEP-WOPDTQHZSA-N 2 0 228.336 0.068 20 0 BCADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000305857003 176341674 /nfs/dbraw/zinc/34/16/74/176341674.db2.gz NAPLAZNDSTXMJH-UPJWGTAASA-N 2 0 242.363 0.458 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C2([NH3+])CC2)C[N@@H+]1C1CC1 ZINC000237566204 176372848 /nfs/dbraw/zinc/37/28/48/176372848.db2.gz WHZSDBVROJKIBV-RKDXNWHRSA-N 2 0 223.320 0.219 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000331855460 176459340 /nfs/dbraw/zinc/45/93/40/176459340.db2.gz MVLCDZYDGWOOPF-GDPRMGEGSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCC1 ZINC000335451762 487634516 /nfs/dbraw/zinc/63/45/16/487634516.db2.gz GFGVWMZBXVWLCB-LBPRGKRZSA-N 2 0 237.347 0.470 20 0 BCADRP C[C@H](CC(=O)NCC(C)(C)[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000237604956 176599990 /nfs/dbraw/zinc/59/99/90/176599990.db2.gz ZLJLOFWVGPKSRI-GHMZBOCLSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000309783968 176608829 /nfs/dbraw/zinc/60/88/29/176608829.db2.gz RYBYTPJLUJPKBV-KPPDAEKUSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)NCC[NH+]1CCC1 ZINC000337413644 176625800 /nfs/dbraw/zinc/62/58/00/176625800.db2.gz OJWZWGLPTFRDIT-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000237611771 176659503 /nfs/dbraw/zinc/65/95/03/176659503.db2.gz ZZGFADAISFQVRE-PWSUYJOCSA-N 2 0 235.331 0.882 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000370785952 176758978 /nfs/dbraw/zinc/75/89/78/176758978.db2.gz GYXQOJUKGHBONQ-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000295192979 176827906 /nfs/dbraw/zinc/82/79/06/176827906.db2.gz ODEYBXVHDSLFTD-GXFFZTMASA-N 2 0 247.342 0.943 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000020179810 177075554 /nfs/dbraw/zinc/07/55/54/177075554.db2.gz SFQFJXUIDNYQCH-LBPRGKRZSA-N 2 0 211.353 0.766 20 0 BCADRP C[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000053298729 177158986 /nfs/dbraw/zinc/15/89/86/177158986.db2.gz AFJFGZVCJUBPJI-NSHDSACASA-N 2 0 225.336 0.150 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000186847737 177175046 /nfs/dbraw/zinc/17/50/46/177175046.db2.gz FSHQGAKNPAZWMR-CMPLNLGQSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC[NH2+]C1CC1 ZINC000042438673 177182204 /nfs/dbraw/zinc/18/22/04/177182204.db2.gz IIOYNAWEUYFHOI-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1CN(C(=O)CC2(C[NH3+])CC2)[C@@H](C)C[NH2+]1 ZINC000335157075 177214129 /nfs/dbraw/zinc/21/41/29/177214129.db2.gz PPNLYLKZBONPDL-UWVGGRQHSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000333634355 177220864 /nfs/dbraw/zinc/22/08/64/177220864.db2.gz HECXRELEXXXQQQ-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@H]1CN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC[NH2+]1 ZINC000368536788 177224195 /nfs/dbraw/zinc/22/41/95/177224195.db2.gz GFQFZACWEFUCTP-DMDPSCGWSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000341454404 177234303 /nfs/dbraw/zinc/23/43/03/177234303.db2.gz MVUQLVSUUUOUAV-QWRGUYRKSA-N 2 0 241.379 0.641 20 0 BCADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000336506041 177235605 /nfs/dbraw/zinc/23/56/05/177235605.db2.gz OZAJKTBKNFUXGS-AAEUAGOBSA-N 2 0 225.380 0.868 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCC[NH+](C)C ZINC000362763801 177237480 /nfs/dbraw/zinc/23/74/80/177237480.db2.gz WJGQIBDCPFYIMW-NWDGAFQWSA-N 2 0 241.379 0.642 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1CC(=O)NC(C)(C)C ZINC000122301373 177323791 /nfs/dbraw/zinc/32/37/91/177323791.db2.gz JJCLQBFMQPVZNM-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C2([NH3+])CCCCC2)CC[NH2+]1 ZINC000336550410 177328633 /nfs/dbraw/zinc/32/86/33/177328633.db2.gz HAPCHQDLOZTUQK-QWRGUYRKSA-N 2 0 239.363 0.905 20 0 BCADRP C[C@H]1C[C@@H]1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309099413 177344987 /nfs/dbraw/zinc/34/49/87/177344987.db2.gz FBQWBZUYMKRCLD-WDEREUQCSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C[NH3+])C1 ZINC000237581620 177357934 /nfs/dbraw/zinc/35/79/34/177357934.db2.gz DOHFIIFKFGGYSA-QWRGUYRKSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C[NH3+])C1 ZINC000237581967 177358294 /nfs/dbraw/zinc/35/82/94/177358294.db2.gz IRWXSEILVWLIKV-QWRGUYRKSA-N 2 0 227.352 0.429 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH3+])CC[N@@H+]1C ZINC000132923247 177367182 /nfs/dbraw/zinc/36/71/82/177367182.db2.gz GWTDEJXCYCNVQR-DTWKUNHWSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000367992794 177368026 /nfs/dbraw/zinc/36/80/26/177368026.db2.gz FTYSWMGTGZFMSW-IRCOFANPSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCO ZINC000036908334 177368745 /nfs/dbraw/zinc/36/87/45/177368745.db2.gz VMAMVINEFZCCMW-VWYCJHECSA-N 2 0 200.326 0.687 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)CCO1 ZINC000359322367 177369564 /nfs/dbraw/zinc/36/95/64/177369564.db2.gz MXUZCVLYVGGUDQ-NWDGAFQWSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@@H]1C[C@@H]1C ZINC000228702777 177382230 /nfs/dbraw/zinc/38/22/30/177382230.db2.gz DJPOVVUHYVMXHX-WHOHXGKFSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000368005792 177395753 /nfs/dbraw/zinc/39/57/53/177395753.db2.gz KFTBMROJRZCIIU-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000094647346 177395778 /nfs/dbraw/zinc/39/57/78/177395778.db2.gz RYJLOFNCVMQKGF-GRYCIOLGSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000367385741 177395822 /nfs/dbraw/zinc/39/58/22/177395822.db2.gz KZMQOZGMBASDDG-DDHJBXDOSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368378766 177395987 /nfs/dbraw/zinc/39/59/87/177395987.db2.gz RDRJJFQXSQCVNK-WRWGMCAJSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000368010925 177396175 /nfs/dbraw/zinc/39/61/75/177396175.db2.gz VQCYJYQNIDUWEE-GWOFURMSSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)C1CC1 ZINC000364573334 177441630 /nfs/dbraw/zinc/44/16/30/177441630.db2.gz BFSSMAPPGYAELG-UHTWSYAYSA-N 2 0 237.347 0.230 20 0 BCADRP C[C@@H](CNC(=O)CC[NH2+]C1CC1)[NH+](C)C ZINC000038089340 487640780 /nfs/dbraw/zinc/64/07/80/487640780.db2.gz XVJQHSLHUSCJPH-VIFPVBQESA-N 2 0 213.325 0.195 20 0 BCADRP C[NH+](C)CC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000167886659 487643515 /nfs/dbraw/zinc/64/35/15/487643515.db2.gz WWJSKALIKDTJSX-JTQLQIEISA-N 2 0 225.336 0.339 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226014115 487644078 /nfs/dbraw/zinc/64/40/78/487644078.db2.gz GVSGZDGDCZISDY-IJLUTSLNSA-N 2 0 211.353 0.940 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CCO ZINC000383598912 487644714 /nfs/dbraw/zinc/64/47/14/487644714.db2.gz PQUZFQVBQWRNLX-QWHCGFSZSA-N 2 0 244.379 0.534 20 0 BCADRP CO[C@](C)(CO)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000655787081 487645892 /nfs/dbraw/zinc/64/58/92/487645892.db2.gz SLTLPFOWJVYNKG-AAEUAGOBSA-N 2 0 244.379 0.704 20 0 BCADRP O=C(C=Cc1c[nH]cn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000492899385 226078527 /nfs/dbraw/zinc/07/85/27/226078527.db2.gz MDJVKTXBUHCGCX-VSQXVHSFSA-N 2 0 246.314 0.730 20 0 BCADRP O=C(/C=C\c1ncc[nH]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000493485846 226229498 /nfs/dbraw/zinc/22/94/98/226229498.db2.gz CJSSKCLALDQUPW-DLRQAJBASA-N 2 0 246.314 0.730 20 0 BCADRP [NH3+]CC1(NC(=O)CC[C@H]2CCC[NH2+]2)CCCC1 ZINC000494563741 226266457 /nfs/dbraw/zinc/26/64/57/226266457.db2.gz INZNOYBSLCCTCI-LLVKDONJSA-N 2 0 239.363 0.906 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494574442 226266721 /nfs/dbraw/zinc/26/67/21/226266721.db2.gz KYXCDNCZPIJLDM-QJPTWQEYSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494660667 226267280 /nfs/dbraw/zinc/26/72/80/226267280.db2.gz GGZQTZVBUQHMRD-TUAOUCFPSA-N 2 0 239.363 0.727 20 0 BCADRP O=C(CC[C@H]1CCC[NH2+]1)NCC[C@H]1CCC[NH2+]1 ZINC000494661053 226267729 /nfs/dbraw/zinc/26/77/29/226267729.db2.gz IWKOFJOWEUBQAO-VXGBXAGGSA-N 2 0 239.363 0.777 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000494670661 226267735 /nfs/dbraw/zinc/26/77/35/226267735.db2.gz GIBODCMHAQYMQM-MXWKQRLJSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCN2CCOC2=O)C1 ZINC000496649521 226310627 /nfs/dbraw/zinc/31/06/27/226310627.db2.gz KQDZVOVHEXJEOD-MNOVXSKESA-N 2 0 241.335 0.688 20 0 BCADRP CC1=CC[N@H+](CCNC(=O)[C@H](C)[NH+](C)C)CC1 ZINC000680826450 487653537 /nfs/dbraw/zinc/65/35/37/487653537.db2.gz PPIKKLVATCLMST-LBPRGKRZSA-N 2 0 239.363 0.705 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C[NH2+]C(C)C ZINC000087471741 487659259 /nfs/dbraw/zinc/65/92/59/487659259.db2.gz UGLJHODFRZXOFN-UHFFFAOYSA-N 2 0 201.314 0.052 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000309147646 487668457 /nfs/dbraw/zinc/66/84/57/487668457.db2.gz VPCYEAITMKQKGY-MRVPVSSYSA-N 2 0 201.314 0.167 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCn1cccn1)C2 ZINC000383752634 487670479 /nfs/dbraw/zinc/67/04/79/487670479.db2.gz ZVZYEXVVQILZFR-STQMWFEESA-N 2 0 234.347 0.944 20 0 BCADRP OC[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]C2)C1 ZINC000308830552 229250835 /nfs/dbraw/zinc/25/08/35/229250835.db2.gz UDEWBRRONOLBAI-TUAOUCFPSA-N 2 0 212.337 0.737 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000648109818 487682844 /nfs/dbraw/zinc/68/28/44/487682844.db2.gz VZIIRYSMYCXHIU-ZDUSSCGKSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000054075507 487683576 /nfs/dbraw/zinc/68/35/76/487683576.db2.gz GOWISBLNXZHFNN-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000653112645 487687632 /nfs/dbraw/zinc/68/76/32/487687632.db2.gz FJNCPJBGYXMZIX-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000393784494 487688039 /nfs/dbraw/zinc/68/80/39/487688039.db2.gz WMSGTEOKSCVNIQ-SRVKXCTJSA-N 2 0 211.353 0.655 20 0 BCADRP [NH3+][C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C1CCC1 ZINC000399169985 262777718 /nfs/dbraw/zinc/77/77/18/262777718.db2.gz IACUWZSMJPLXCR-CMPLNLGQSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCCF)C1 ZINC000088026342 487698940 /nfs/dbraw/zinc/69/89/40/487698940.db2.gz SZUIUDFKMBVJGQ-JTQLQIEISA-N 2 0 231.315 0.133 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000669403063 487704542 /nfs/dbraw/zinc/70/45/42/487704542.db2.gz HFRPKSRLMIJVLT-GHMZBOCLSA-N 2 0 240.351 0.213 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000659645634 487710164 /nfs/dbraw/zinc/71/01/64/487710164.db2.gz KLZSCQQPTWLYMF-GHMZBOCLSA-N 2 0 242.367 0.330 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000151735170 487714241 /nfs/dbraw/zinc/71/42/41/487714241.db2.gz OLCJQISNXBYKFG-LLVKDONJSA-N 2 0 229.368 0.864 20 0 BCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](C)[NH3+])C1 ZINC000669406692 487725998 /nfs/dbraw/zinc/72/59/98/487725998.db2.gz UOIGGHORXWWJAX-QWRGUYRKSA-N 2 0 242.367 0.365 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)CC(C)(C)[NH3+] ZINC000082772561 487729815 /nfs/dbraw/zinc/72/98/15/487729815.db2.gz UPZKKTIUQFUSNN-JTQLQIEISA-N 2 0 227.352 0.666 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000250356596 487730952 /nfs/dbraw/zinc/73/09/52/487730952.db2.gz OYMCVKWTWLDIBY-NWDGAFQWSA-N 2 0 227.352 0.001 20 0 BCADRP CC[N@H+](CCNC(=O)CC1([NH3+])CCC1)C1CC1 ZINC000226398145 487731209 /nfs/dbraw/zinc/73/12/09/487731209.db2.gz CDVDIEBZUIVKKK-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP CN(C[C@H]1C[NH2+]CCO1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000250428973 487732268 /nfs/dbraw/zinc/73/22/68/487732268.db2.gz QRRVDIPLRQEWPH-QWHCGFSZSA-N 2 0 239.363 0.143 20 0 BCADRP O=C1CC[C@@H]2C[N@H+](C[C@H]3CC[NH2+]C3)CC[C@H]2N1 ZINC000250680147 487739269 /nfs/dbraw/zinc/73/92/69/487739269.db2.gz XXXZBBWWRRQJPX-QJPTWQEYSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1CCO ZINC000042409296 487740989 /nfs/dbraw/zinc/74/09/89/487740989.db2.gz DMGKVQNLSYFSQX-LLVKDONJSA-N 2 0 200.326 0.833 20 0 BCADRP COC[C@H](C)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000251000754 487745896 /nfs/dbraw/zinc/74/58/96/487745896.db2.gz PJDHEXKXMXOFSY-LPEHRKFASA-N 2 0 202.298 0.069 20 0 BCADRP CNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000226438293 487747326 /nfs/dbraw/zinc/74/73/26/487747326.db2.gz VJDFQPGMRPFVAZ-GHMZBOCLSA-N 2 0 225.336 0.054 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000082921702 487753797 /nfs/dbraw/zinc/75/37/97/487753797.db2.gz ZXVOSGSZCRKSAJ-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[C@H]1CN(C[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000251420015 487755342 /nfs/dbraw/zinc/75/53/42/487755342.db2.gz PONGZXCDNQBPIC-NWDGAFQWSA-N 2 0 211.353 0.526 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000662964925 487773746 /nfs/dbraw/zinc/77/37/46/487773746.db2.gz JOUIGSOKJLVYBE-ZYHUDNBSSA-N 2 0 235.331 0.719 20 0 BCADRP CC[C@H]1C[N@H+](CCOCCOC)CC[C@H]1[NH3+] ZINC000251598846 487775898 /nfs/dbraw/zinc/77/58/98/487775898.db2.gz CZZGAKYLIZBVCY-NWDGAFQWSA-N 2 0 230.352 0.709 20 0 BCADRP Cn1cc(C[N@H+](C)CC2CC[NH2+]CC2)nn1 ZINC000234287446 487793143 /nfs/dbraw/zinc/79/31/43/487793143.db2.gz XKWOTRIUMUMIQN-UHFFFAOYSA-N 2 0 223.324 0.247 20 0 BCADRP CC[C@H]1C[N@H+](CC(C)(C)O)CC[C@H]1[NH3+] ZINC000251748089 487795541 /nfs/dbraw/zinc/79/55/41/487795541.db2.gz LFIGQKAEVHRCRO-VHSXEESVSA-N 2 0 200.326 0.817 20 0 BCADRP CSC1(C[NH2+]C[C@@H](C)O)CC[NH+](C)CC1 ZINC000591766740 487798141 /nfs/dbraw/zinc/79/81/41/487798141.db2.gz FWYNBTXDPUWYSZ-SNVBAGLBSA-N 2 0 232.393 0.784 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000252601992 487827121 /nfs/dbraw/zinc/82/71/21/487827121.db2.gz MSELVWXEVJKPTG-AXFHLTTASA-N 2 0 225.336 0.052 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000252610433 487827515 /nfs/dbraw/zinc/82/75/15/487827515.db2.gz URTTUQPFZWOWER-QJPTWQEYSA-N 2 0 239.363 0.442 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000647708423 487829583 /nfs/dbraw/zinc/82/95/83/487829583.db2.gz LKUNPAMZLFFILK-SFYZADRCSA-N 2 0 235.278 0.309 20 0 BCADRP C[C@@H](C(=O)NCc1ccc(C[NH3+])cc1)[C@H](C)[NH3+] ZINC000565892210 322947767 /nfs/dbraw/zinc/94/77/67/322947767.db2.gz ABXAORJGGPZFBB-ZJUUUORDSA-N 2 0 235.331 0.745 20 0 BCADRP C[C@H](CNC(=[NH2+])NC1CCC1)C[NH+](C)C ZINC000849029991 588442293 /nfs/dbraw/zinc/44/22/93/588442293.db2.gz BZLUILQBHGJAJG-SECBINFHSA-N 2 0 212.341 0.851 20 0 BCADRP CC[N@@H+](CC(=O)N(C)C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000666620267 487846384 /nfs/dbraw/zinc/84/63/84/487846384.db2.gz ZSGKUCXYTFNMJE-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000089717510 487847905 /nfs/dbraw/zinc/84/79/05/487847905.db2.gz AMLOJWDVOPOQCH-LLVKDONJSA-N 2 0 241.379 0.690 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000666627544 487848352 /nfs/dbraw/zinc/84/83/52/487848352.db2.gz ATDONKSHOXSSBJ-JTQLQIEISA-N 2 0 208.309 0.938 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000389983093 487849774 /nfs/dbraw/zinc/84/97/74/487849774.db2.gz KJKWWIRYQQTXPE-MRVPVSSYSA-N 2 0 201.314 0.213 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000648121881 487855197 /nfs/dbraw/zinc/85/51/97/487855197.db2.gz SMYUKXGPBXFMPQ-NXEZZACHSA-N 2 0 227.352 0.890 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1CC[C@@H](n2cncn2)C1 ZINC000666697390 487862126 /nfs/dbraw/zinc/86/21/26/487862126.db2.gz ZCOBGVOJZRYOGY-VXGBXAGGSA-N 2 0 237.351 0.898 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CCOC(C)C ZINC000234718624 487865878 /nfs/dbraw/zinc/86/58/78/487865878.db2.gz RVKMMWGGQUSDMV-LLVKDONJSA-N 2 0 218.341 0.755 20 0 BCADRP CC[NH+]1CCC([NH2+]CC2CC(O)C2)CC1 ZINC000084445992 322960711 /nfs/dbraw/zinc/96/07/11/322960711.db2.gz BEOPGLDHDCKVRC-UHFFFAOYSA-N 2 0 212.337 0.831 20 0 BCADRP C(N[C@H]1CCC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000666770738 487877624 /nfs/dbraw/zinc/87/76/24/487877624.db2.gz UKGVRBAAEWPFDI-RYUDHWBXSA-N 2 0 211.353 0.860 20 0 BCADRP COC[C@@H](C[NH2+]CC1([NH3+])CCC1)OC ZINC000234785377 487877782 /nfs/dbraw/zinc/87/77/82/487877782.db2.gz DOJVAVORLZLMBJ-SECBINFHSA-N 2 0 202.298 0.119 20 0 BCADRP COCCCCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000234782045 487877866 /nfs/dbraw/zinc/87/78/66/487877866.db2.gz IPERHPOANOPXPU-ZDUSSCGKSA-N 2 0 244.379 0.849 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000566194884 322963885 /nfs/dbraw/zinc/96/38/85/322963885.db2.gz PPZNYBUOGUZJCL-SECBINFHSA-N 2 0 225.336 0.324 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCO1 ZINC000234789180 487878778 /nfs/dbraw/zinc/87/87/78/487878778.db2.gz NHVIYBZMSDWPRX-QWRGUYRKSA-N 2 0 216.325 0.509 20 0 BCADRP C[C@@H](O)C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000235223341 487884417 /nfs/dbraw/zinc/88/44/17/487884417.db2.gz LOSDDKYUQRBPMB-GHMZBOCLSA-N 2 0 212.337 0.831 20 0 BCADRP CC(C)(C)[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)C(N)=O ZINC000309493570 487887812 /nfs/dbraw/zinc/88/78/12/487887812.db2.gz JLHDIUWWZFQCGJ-RKDXNWHRSA-N 2 0 213.325 0.086 20 0 BCADRP CC[N@H+](CCNC(=O)NC[C@H](C)[NH3+])C1CC1 ZINC000669444474 487888840 /nfs/dbraw/zinc/88/88/40/487888840.db2.gz QXPXVUAOXDWXAK-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP CC[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000403818397 487891662 /nfs/dbraw/zinc/89/16/62/487891662.db2.gz MOOZXJKEYPMKIK-QWHCGFSZSA-N 2 0 241.379 0.391 20 0 BCADRP C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000652256923 487893844 /nfs/dbraw/zinc/89/38/44/487893844.db2.gz IPQWYZFBVYBMNV-JLLWLGSASA-N 2 0 239.363 0.570 20 0 BCADRP C[NH+]1CCC(CCNC(=O)CC(C)(C)[NH3+])CC1 ZINC000157222067 487907343 /nfs/dbraw/zinc/90/73/43/487907343.db2.gz VHRXQULDXSTXBY-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]([NH3+])CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000669462780 487909420 /nfs/dbraw/zinc/90/94/20/487909420.db2.gz FQKHNRIEGSQXEY-IUCAKERBSA-N 2 0 228.340 0.116 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@H]([NH3+])C1 ZINC000157710694 487919050 /nfs/dbraw/zinc/91/90/50/487919050.db2.gz GHFKCESTZHXXMK-UWVGGRQHSA-N 2 0 213.325 0.310 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@H](C)C[NH+](CC)CC ZINC000417285127 487923056 /nfs/dbraw/zinc/92/30/56/487923056.db2.gz GQXXQPGWGKGVJZ-MNOVXSKESA-N 2 0 244.383 0.753 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)N(C)CC[NH2+]C ZINC000417304855 487923611 /nfs/dbraw/zinc/92/36/11/487923611.db2.gz VDSDCGZFRJWDJX-NSHDSACASA-N 2 0 244.383 0.578 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)CC[NH3+] ZINC000417306150 487923743 /nfs/dbraw/zinc/92/37/43/487923743.db2.gz ZMLYCBKPIYHBGK-MNOVXSKESA-N 2 0 244.383 0.753 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000652335869 487924913 /nfs/dbraw/zinc/92/49/13/487924913.db2.gz MXKXLARGEDZUMG-GHMZBOCLSA-N 2 0 200.326 0.689 20 0 BCADRP COCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652361402 487931765 /nfs/dbraw/zinc/93/17/65/487931765.db2.gz GNSAYYXQMDCZTH-YNEHKIRRSA-N 2 0 242.363 0.994 20 0 BCADRP CN(CC[NH3+])Cc1ccccc1-n1cncn1 ZINC000667043286 487932940 /nfs/dbraw/zinc/93/29/40/487932940.db2.gz OTNNKDUSILXBMR-UHFFFAOYSA-N 2 0 231.303 0.658 20 0 BCADRP CN(CC[NH3+])Cc1cnc2ccccn12 ZINC000667042288 487933587 /nfs/dbraw/zinc/93/35/87/487933587.db2.gz WLLXUGMNYRJLPY-UHFFFAOYSA-N 2 0 204.277 0.725 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000652364273 487933948 /nfs/dbraw/zinc/93/39/48/487933948.db2.gz CHWFBXTZCHZGCP-UWVGGRQHSA-N 2 0 234.290 0.688 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000055089307 487934841 /nfs/dbraw/zinc/93/48/41/487934841.db2.gz JJASWJRYSCMDFX-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000652364468 487934399 /nfs/dbraw/zinc/93/43/99/487934399.db2.gz RMSZYVJGZZYIJG-VIFPVBQESA-N 2 0 220.263 0.693 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)[NH3+] ZINC000669474602 487937553 /nfs/dbraw/zinc/93/75/53/487937553.db2.gz ICEMYSMQWJPPKY-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000653042835 487943546 /nfs/dbraw/zinc/94/35/46/487943546.db2.gz HUSSUYISLMYPLE-GRYCIOLGSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000653042838 487943656 /nfs/dbraw/zinc/94/36/56/487943656.db2.gz HUSSUYISLMYPLE-WOPDTQHZSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000653042837 487943662 /nfs/dbraw/zinc/94/36/62/487943662.db2.gz HUSSUYISLMYPLE-UTUOFQBUSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)[N@H+](C)C1CC1 ZINC000188755726 487949138 /nfs/dbraw/zinc/94/91/38/487949138.db2.gz HAJMOXKXSIOVEZ-ATZCPNFKSA-N 2 0 243.326 0.285 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653166363 487949519 /nfs/dbraw/zinc/94/95/19/487949519.db2.gz DLCBQYZYMBLDKI-XPXLGCRWSA-N 2 0 239.363 0.759 20 0 BCADRP C[C@]1(C(=O)N[C@H](CC[NH3+])C(F)F)CCC[NH2+]C1 ZINC000569577148 322971130 /nfs/dbraw/zinc/97/11/30/322971130.db2.gz NLZBPIVHIDTZES-KCJUWKMLSA-N 2 0 249.305 0.475 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000561183258 322996629 /nfs/dbraw/zinc/99/66/29/322996629.db2.gz WUUWGSDQTPOSHZ-DGCLKSJQSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000561183257 322996646 /nfs/dbraw/zinc/99/66/46/322996646.db2.gz WUUWGSDQTPOSHZ-AAEUAGOBSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]C[C@H](NC(=O)C[NH2+]C1CC1)C1CCCC1 ZINC000561194398 322996907 /nfs/dbraw/zinc/99/69/07/322996907.db2.gz IKJNKFXCSNFQMW-NSHDSACASA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000397489218 323021198 /nfs/dbraw/zinc/02/11/98/323021198.db2.gz YFHPTMYRXFFLMR-WOPDTQHZSA-N 2 0 241.379 0.770 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000562809525 323031257 /nfs/dbraw/zinc/03/12/57/323031257.db2.gz YFAHDVFQFCAORS-AXFHLTTASA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000565211889 323033690 /nfs/dbraw/zinc/03/36/90/323033690.db2.gz FMJBHKYSSSSWCH-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1CC[NH2+]C[C@H]1C(F)F ZINC000569724522 323038885 /nfs/dbraw/zinc/03/88/85/323038885.db2.gz VJPZIBOGYLWBLC-ZJUUUORDSA-N 2 0 235.322 0.899 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1CC[NH2+]C[C@@H]1C(F)F ZINC000569724519 323038915 /nfs/dbraw/zinc/03/89/15/323038915.db2.gz VJPZIBOGYLWBLC-NXEZZACHSA-N 2 0 235.322 0.899 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOC[C@H]1CCCO1 ZINC000569821411 323041717 /nfs/dbraw/zinc/04/17/17/323041717.db2.gz FHRCZWWRHWTZOV-JHJVBQTASA-N 2 0 242.363 0.994 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOC[C@@H]1CCCO1 ZINC000569821412 323041805 /nfs/dbraw/zinc/04/18/05/323041805.db2.gz FHRCZWWRHWTZOV-UPJWGTAASA-N 2 0 242.363 0.994 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C1CC[NH2+]CC1 ZINC000569848131 323042526 /nfs/dbraw/zinc/04/25/26/323042526.db2.gz RZSLIPJJHBEGDH-CKYFFXLPSA-N 2 0 239.363 0.489 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C[NH2+]C1CC1)C1CC1 ZINC000569842053 323042574 /nfs/dbraw/zinc/04/25/74/323042574.db2.gz AWRRJOWXXCNBRV-LLVKDONJSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@]1(C(=O)NCCC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000570037315 323047820 /nfs/dbraw/zinc/04/78/20/323047820.db2.gz QQMGZRZHEIGRQI-YPMHNXCESA-N 2 0 239.363 0.634 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCCC[NH2+]CC ZINC000570072190 323049177 /nfs/dbraw/zinc/04/91/77/323049177.db2.gz KCVWAGDXWLLQFS-JTQLQIEISA-N 2 0 215.341 0.490 20 0 BCADRP C[C@@]1(C(=O)N2CCC[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000570091247 323049632 /nfs/dbraw/zinc/04/96/32/323049632.db2.gz FRLPNUYKLITFAU-CMPLNLGQSA-N 2 0 225.336 0.183 20 0 BCADRP CN(CC[NH3+])C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000570161298 323051512 /nfs/dbraw/zinc/05/15/12/323051512.db2.gz IAZAAGBBWIOPJJ-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@H+](C)CC(C)(C)C ZINC000570169196 323051820 /nfs/dbraw/zinc/05/18/20/323051820.db2.gz OUNWEGYZSATYIF-NSHDSACASA-N 2 0 202.342 0.935 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]([NH3+])CC(F)F ZINC000570214726 323052974 /nfs/dbraw/zinc/05/29/74/323052974.db2.gz BNFIPEGXUHKAIK-ACZMJKKPSA-N 2 0 223.267 0.211 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000570307086 323055920 /nfs/dbraw/zinc/05/59/20/323055920.db2.gz BMGFWDQLCDRONR-MVWJERBFSA-N 2 0 237.347 0.337 20 0 BCADRP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000570334766 323056353 /nfs/dbraw/zinc/05/63/53/323056353.db2.gz MWCHFRIWIQBTCT-JFGNBEQYSA-N 2 0 237.347 0.419 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000570398220 323058347 /nfs/dbraw/zinc/05/83/47/323058347.db2.gz TVSWOWVLBIWXMX-LLVKDONJSA-N 2 0 223.320 0.091 20 0 BCADRP CN(CC[NH3+])C(=O)C1CC[NH+](C2CC2)CC1 ZINC000570449520 323059776 /nfs/dbraw/zinc/05/97/76/323059776.db2.gz JZPRIHYZFORNSG-UHFFFAOYSA-N 2 0 225.336 0.278 20 0 BCADRP [NH3+]CCC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000570451522 323059974 /nfs/dbraw/zinc/05/99/74/323059974.db2.gz PLNXHDYXOTYNFD-SECBINFHSA-N 2 0 234.303 0.185 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N(C)Cc1c[nH]cn1 ZINC000570698330 323067675 /nfs/dbraw/zinc/06/76/75/323067675.db2.gz FNCKRTVSYOEIRG-MRVPVSSYSA-N 2 0 225.296 0.288 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)CN2CCOCC2)C1 ZINC000570720940 323068729 /nfs/dbraw/zinc/06/87/29/323068729.db2.gz PTJHVCZYQCCSQN-RWMBFGLXSA-N 2 0 241.379 0.376 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000570824939 323071848 /nfs/dbraw/zinc/07/18/48/323071848.db2.gz WFIYXCGMYOBWCF-QWRGUYRKSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000570849994 323072529 /nfs/dbraw/zinc/07/25/29/323072529.db2.gz VJLPTEAYRIHXNG-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000567814856 323087433 /nfs/dbraw/zinc/08/74/33/323087433.db2.gz GLEJUOQFWKUOGI-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000494573461 323088640 /nfs/dbraw/zinc/08/86/40/323088640.db2.gz FZKVEFNSERDCMN-OUAUKWLOSA-N 2 0 227.352 0.556 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062971999 323088794 /nfs/dbraw/zinc/08/87/94/323088794.db2.gz AYRFDIJGXXTTEH-MXWKQRLJSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000567819353 323089377 /nfs/dbraw/zinc/08/93/77/323089377.db2.gz GWVFGGKXDORZLK-NAKRPEOUSA-N 2 0 242.367 0.539 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000567821664 323089999 /nfs/dbraw/zinc/08/99/99/323089999.db2.gz HFUNFJSJHHRDMK-JXUBOQSCSA-N 2 0 228.340 0.243 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000563087822 323091241 /nfs/dbraw/zinc/09/12/41/323091241.db2.gz SOHBDUAREJJDRL-DGCLKSJQSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000563093167 323091817 /nfs/dbraw/zinc/09/18/17/323091817.db2.gz XSZWDJZSRGJWOY-UWVGGRQHSA-N 2 0 230.356 0.411 20 0 BCADRP [NH3+]CCCCC(=O)N1CC[NH+]2CCC1CC2 ZINC000563094354 323091889 /nfs/dbraw/zinc/09/18/89/323091889.db2.gz GNRXGNFKVJMVLJ-UHFFFAOYSA-N 2 0 225.336 0.422 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CC[NH+](C)C)C1CC1 ZINC000563097335 323092204 /nfs/dbraw/zinc/09/22/04/323092204.db2.gz UFIWEAWNFLSTDF-JQWIXIFHSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000563109824 323092895 /nfs/dbraw/zinc/09/28/95/323092895.db2.gz AETYOESZUNPSIW-FIQHERPVSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000563108933 323092913 /nfs/dbraw/zinc/09/29/13/323092913.db2.gz QZBPYAQKJKSJEG-CABZTGNLSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000563109826 323092945 /nfs/dbraw/zinc/09/29/45/323092945.db2.gz AETYOESZUNPSIW-YFKTTZPYSA-N 2 0 239.363 0.700 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000563117703 323093254 /nfs/dbraw/zinc/09/32/54/323093254.db2.gz RMTJAAUHMIOIFI-SDDRHHMPSA-N 2 0 239.363 0.300 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000563118706 323093849 /nfs/dbraw/zinc/09/38/49/323093849.db2.gz BGLDYKDQZVEBOH-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000563119275 323093916 /nfs/dbraw/zinc/09/39/16/323093916.db2.gz YZCLCPBACVVCSF-GRYCIOLGSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)C[NH2+]CC1CC1 ZINC000563119170 323094006 /nfs/dbraw/zinc/09/40/06/323094006.db2.gz NDEONUHDELWGPO-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP [NH3+]CCN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000563153585 323095861 /nfs/dbraw/zinc/09/58/61/323095861.db2.gz BWTHRYJHBNHWMT-NWDGAFQWSA-N 2 0 227.352 0.163 20 0 BCADRP [NH3+]CCN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000563153587 323095907 /nfs/dbraw/zinc/09/59/07/323095907.db2.gz BWTHRYJHBNHWMT-VXGBXAGGSA-N 2 0 227.352 0.163 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC(C)(C)CCC[NH3+] ZINC000563163809 323098558 /nfs/dbraw/zinc/09/85/58/323098558.db2.gz YOESLXUIUUSTPJ-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@]1(C(=O)N2CCC[C@H](CC[NH3+])C2)CCC[NH2+]1 ZINC000563164954 323099367 /nfs/dbraw/zinc/09/93/67/323099367.db2.gz VNNJTYZQZMLFMJ-YPMHNXCESA-N 2 0 239.363 0.716 20 0 BCADRP O=C(NCCC[NH2+]C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000563167761 323099496 /nfs/dbraw/zinc/09/94/96/323099496.db2.gz TWUHTUCWIDYKTK-SNVBAGLBSA-N 2 0 225.336 0.244 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)C[C@H]1CCC[NH2+]1 ZINC000563170925 323099808 /nfs/dbraw/zinc/09/98/08/323099808.db2.gz WLAJTRLNOXTFQW-SECBINFHSA-N 2 0 213.325 0.372 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000563209526 323102030 /nfs/dbraw/zinc/10/20/30/323102030.db2.gz JDRYFADFFKUTHJ-WRWGMCAJSA-N 2 0 239.363 0.713 20 0 BCADRP c1ncn(CC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000563215646 323102984 /nfs/dbraw/zinc/10/29/84/323102984.db2.gz ULMQLZZQIWXMRY-STQMWFEESA-N 2 0 249.362 0.600 20 0 BCADRP CN(CCC[NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000571062462 323106045 /nfs/dbraw/zinc/10/60/45/323106045.db2.gz VHUYCUAINRNDHY-LLVKDONJSA-N 2 0 242.367 0.509 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccccc1CC[NH3+] ZINC000563339886 323119215 /nfs/dbraw/zinc/11/92/15/323119215.db2.gz URMQZKPGXDPGOI-GWCFXTLKSA-N 2 0 247.342 0.750 20 0 BCADRP COc1ccnc(CN[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000563422675 323124267 /nfs/dbraw/zinc/12/42/67/323124267.db2.gz ACTAOVWJUMFKJZ-NXEZZACHSA-N 2 0 236.319 0.845 20 0 BCADRP O=C(CC[NH2+]C1CC1)NCC[C@H]1CCC[NH2+]C1 ZINC000563413515 323124908 /nfs/dbraw/zinc/12/49/08/323124908.db2.gz AUNUIBOUCFTCCU-LLVKDONJSA-N 2 0 239.363 0.634 20 0 BCADRP COC(=O)C1CCC([NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000563431454 323125214 /nfs/dbraw/zinc/12/52/14/323125214.db2.gz GTOOFQMBDFBJGS-ILDUYXDCSA-N 2 0 226.320 0.670 20 0 BCADRP C[C@H](C[NH3+])C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000563529972 323129210 /nfs/dbraw/zinc/12/92/10/323129210.db2.gz HNXRIZOXKIYFSU-SECBINFHSA-N 2 0 237.303 0.557 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000563529174 323129214 /nfs/dbraw/zinc/12/92/14/323129214.db2.gz RLNIKHJEYNPKBG-YNEHKIRRSA-N 2 0 244.379 0.846 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000563583134 323130450 /nfs/dbraw/zinc/13/04/50/323130450.db2.gz RHSQAHNWUIRROZ-CYBMUJFWSA-N 2 0 249.358 0.672 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000563583046 323130511 /nfs/dbraw/zinc/13/05/11/323130511.db2.gz HNUWBOFVZGUSJJ-UTUOFQBUSA-N 2 0 239.363 0.490 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCCC[NH2+]C ZINC000563595437 323131264 /nfs/dbraw/zinc/13/12/64/323131264.db2.gz IWIURWDYACMHHT-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP C[N@H+](CCOC[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000563622586 323132051 /nfs/dbraw/zinc/13/20/51/323132051.db2.gz JZGBFBWYLVWRQH-CYBMUJFWSA-N 2 0 242.363 0.866 20 0 BCADRP CN(C(=O)c1coc(C[NH3+])c1)[C@H](C[NH3+])C1CC1 ZINC000563621579 323132072 /nfs/dbraw/zinc/13/20/72/323132072.db2.gz ADSVNRBMZQRYCA-LLVKDONJSA-N 2 0 237.303 0.548 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000563622982 323132188 /nfs/dbraw/zinc/13/21/88/323132188.db2.gz IHNOWMBEZRCVLN-INTQDDNPSA-N 2 0 225.336 0.310 20 0 BCADRP O=C([C@H]1CCC[NH2+]1)N1CCC2(CC[NH2+]2)CC1 ZINC000563625677 323132289 /nfs/dbraw/zinc/13/22/89/323132289.db2.gz ZKYNBKFHXPQNDK-SNVBAGLBSA-N 2 0 223.320 0.093 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[N@H+](CC3CCCC3)CCN2C1=O ZINC000563635887 323132806 /nfs/dbraw/zinc/13/28/06/323132806.db2.gz MCLLDIDUOPKOKU-RYUDHWBXSA-N 2 0 237.347 0.420 20 0 BCADRP C[C@@H]1CN(C(=O)CC[C@H]2CC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000571082040 323135024 /nfs/dbraw/zinc/13/50/24/323135024.db2.gz LBQRRBMBGSVKRU-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1C[C@@H](C[NH2+]C(C)(C)C(=O)N(C)C)CC[NH2+]1 ZINC000571146955 323136619 /nfs/dbraw/zinc/13/66/19/323136619.db2.gz WAUHRJIQQNPYCM-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000571282310 323140098 /nfs/dbraw/zinc/14/00/98/323140098.db2.gz IRAFZZWJMWSJIO-SNVBAGLBSA-N 2 0 247.342 0.875 20 0 BCADRP CC1(C[NH2+]CCCN2CC[NH2+]CC2)CC1 ZINC000571295634 323140682 /nfs/dbraw/zinc/14/06/82/323140682.db2.gz IADUZVGRYCDPPG-UHFFFAOYSA-N 2 0 211.353 0.671 20 0 BCADRP C[NH2+]CCC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000571325945 323141486 /nfs/dbraw/zinc/14/14/86/323141486.db2.gz DZZJLRVNGIRZQI-UHFFFAOYSA-N 2 0 221.304 0.954 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000571401020 323143562 /nfs/dbraw/zinc/14/35/62/323143562.db2.gz LYEAYKJHZHAFSZ-GRYCIOLGSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000571402806 323143656 /nfs/dbraw/zinc/14/36/56/323143656.db2.gz FTWRBTWNNXETHW-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(c2cc[nH+]cc2C(N)=O)C1 ZINC000571539856 323147648 /nfs/dbraw/zinc/14/76/48/323147648.db2.gz JRUBBZMZXVERFZ-JTQLQIEISA-N 2 0 248.330 0.568 20 0 BCADRP CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000319460243 323148975 /nfs/dbraw/zinc/14/89/75/323148975.db2.gz BJUXXLNEOKEIFV-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000563706521 323174679 /nfs/dbraw/zinc/17/46/79/323174679.db2.gz JJDWORIWMLOZOZ-GMTAPVOTSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH2+]CCNC(=O)c1ccccc1CC[NH2+]C ZINC000563714271 323175018 /nfs/dbraw/zinc/17/50/18/323175018.db2.gz JBEUNFHDUNTHHY-UHFFFAOYSA-N 2 0 249.358 0.788 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)C[NH+](C)C ZINC000308597699 323176136 /nfs/dbraw/zinc/17/61/36/323176136.db2.gz ZPQBGGVGGALTMN-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000308916676 323181587 /nfs/dbraw/zinc/18/15/87/323181587.db2.gz BJZKZIASKQLPOK-VIFPVBQESA-N 2 0 201.314 0.228 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)[C@@H](C)C[N@@H+]1C ZINC000535824948 323192526 /nfs/dbraw/zinc/19/25/26/323192526.db2.gz RCCSDGMZGLJANH-GRYCIOLGSA-N 2 0 239.363 0.489 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399250359 323201819 /nfs/dbraw/zinc/20/18/19/323201819.db2.gz XNFAGIOIFWAUOR-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)CC[NH2+]C1CC1 ZINC000563896603 323203963 /nfs/dbraw/zinc/20/39/63/323203963.db2.gz CYXFZPUUYCJWDB-LLVKDONJSA-N 2 0 225.336 0.468 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000399408266 323205893 /nfs/dbraw/zinc/20/58/93/323205893.db2.gz CUAYJRLUOLYHQK-VHSXEESVSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CC(F)(F)CN)CC[N@@H+]1C ZINC000563968689 323335508 /nfs/dbraw/zinc/33/55/08/323335508.db2.gz NLUBNVULLMMQND-RKDXNWHRSA-N 2 0 249.305 0.569 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000309385416 323365502 /nfs/dbraw/zinc/36/55/02/323365502.db2.gz DYRNIHRUCHXDMV-SDDRHHMPSA-N 2 0 211.353 0.655 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418400092 323391829 /nfs/dbraw/zinc/39/18/29/323391829.db2.gz GRSXDFCMAWSCFC-RKDXNWHRSA-N 2 0 216.329 0.006 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193523590 323391843 /nfs/dbraw/zinc/39/18/43/323391843.db2.gz XFAXHGSYCJOJHR-OPRDCNLKSA-N 2 0 213.325 0.371 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000309507406 323419894 /nfs/dbraw/zinc/41/98/94/323419894.db2.gz WIDALPIVAJHSKM-VHSXEESVSA-N 2 0 213.325 0.454 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000309554375 323425333 /nfs/dbraw/zinc/42/53/33/323425333.db2.gz LSUAJISLKZPTEU-WCBMZHEXSA-N 2 0 207.277 0.150 20 0 BCADRP [NH3+]CCCCNC(=O)C12CCC[NH+]1CCC2 ZINC000564084261 323427765 /nfs/dbraw/zinc/42/77/65/323427765.db2.gz SZGBQTMJEJBXEH-UHFFFAOYSA-N 2 0 225.336 0.470 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH3+])C2CC2)CC[NH2+]1 ZINC000572156248 323554073 /nfs/dbraw/zinc/55/40/73/323554073.db2.gz CRPMCLPSLXWSRC-LSJOCFKGSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)[C@H](C)[NH3+] ZINC000165348124 487959601 /nfs/dbraw/zinc/95/96/01/487959601.db2.gz HRQKSDOHEWQJQU-KXUCPTDWSA-N 2 0 213.325 0.180 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)COC ZINC000122794585 324058531 /nfs/dbraw/zinc/05/85/31/324058531.db2.gz JAPAGGYSGBKBPW-RYUDHWBXSA-N 2 0 232.368 0.968 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH2+]C1CC1 ZINC000572496703 324133296 /nfs/dbraw/zinc/13/32/96/324133296.db2.gz UGXSLCJTBOHBHL-ZYHUDNBSSA-N 2 0 239.363 0.762 20 0 BCADRP COCCOC[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000572497114 324134072 /nfs/dbraw/zinc/13/40/72/324134072.db2.gz BZAZYVOBCBQIMJ-SRVKXCTJSA-N 2 0 230.352 0.897 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000572499730 324135204 /nfs/dbraw/zinc/13/52/04/324135204.db2.gz ZWXGVQSBJAABRH-AAEUAGOBSA-N 2 0 249.358 0.658 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)CC2(C[NH3+])CC2)cc1 ZINC000572525770 324189918 /nfs/dbraw/zinc/18/99/18/324189918.db2.gz RZNBQZIWRPDLOB-UHFFFAOYSA-N 2 0 247.342 0.891 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000572524404 324189936 /nfs/dbraw/zinc/18/99/36/324189936.db2.gz LITRHOMLIHIBLX-DTORHVGOSA-N 2 0 213.325 0.357 20 0 BCADRP CC[NH+](CC)CC[C@@H](CO)[NH2+]C[C@H](C)O ZINC000567588643 324198410 /nfs/dbraw/zinc/19/84/10/324198410.db2.gz DLGPJPVCSLHKDO-QWRGUYRKSA-N 2 0 218.341 0.050 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023903 324223187 /nfs/dbraw/zinc/22/31/87/324223187.db2.gz MBDZZULCUKOODP-OUAUKWLOSA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H](C)C[NH3+] ZINC000529337374 324272628 /nfs/dbraw/zinc/27/26/28/324272628.db2.gz OXJSQKSVTIGXIO-QWRGUYRKSA-N 2 0 242.367 0.221 20 0 BCADRP CC[N@@H+]1CC[C@@H](NC(=O)Cn2cncc2C)C1 ZINC000529492717 324315010 /nfs/dbraw/zinc/31/50/10/324315010.db2.gz PKVIHHOQWPBZFK-LLVKDONJSA-N 2 0 236.319 0.402 20 0 BCADRP CN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000083907432 487964151 /nfs/dbraw/zinc/96/41/51/487964151.db2.gz YPNWBRRRTUADLS-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000128622071 324860456 /nfs/dbraw/zinc/86/04/56/324860456.db2.gz MASUBFAUPFYEQE-IVZWLZJFSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000158550910 487965843 /nfs/dbraw/zinc/96/58/43/487965843.db2.gz NHOBNWLZICSKHF-GARJFASQSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H](CC[NH+](C)C)Nc1cc[nH+]cc1C(N)=O ZINC000545157813 325180626 /nfs/dbraw/zinc/18/06/26/325180626.db2.gz DTXPEKOKKBRADR-SECBINFHSA-N 2 0 236.319 0.355 20 0 BCADRP C[C@@H](CC[NH+](C)C)Nc1cc[nH+]cc1C(N)=O ZINC000545157814 325180638 /nfs/dbraw/zinc/18/06/38/325180638.db2.gz DTXPEKOKKBRADR-VIFPVBQESA-N 2 0 236.319 0.355 20 0 BCADRP C[NH+](C)CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC000545284749 325207475 /nfs/dbraw/zinc/20/74/75/325207475.db2.gz ZNIZMAZZVMJDSZ-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP CCc1nncn1CC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000546677866 325300713 /nfs/dbraw/zinc/30/07/13/325300713.db2.gz PITFYPBHAYVXCP-QWRGUYRKSA-N 2 0 237.351 0.380 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C[C@H](C)[NH2+]1 ZINC000246569477 325572077 /nfs/dbraw/zinc/57/20/77/325572077.db2.gz BLYLQVYACMVYPH-LMLFDSFASA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000248973710 325630294 /nfs/dbraw/zinc/63/02/94/325630294.db2.gz DNTHZZDPMINCAA-XWLWVQCSSA-N 2 0 227.352 0.556 20 0 BCADRP CN(C(=O)c1ccc(C[NH3+])cc1)[C@H](C[NH3+])C1CC1 ZINC000564798460 325809828 /nfs/dbraw/zinc/80/98/28/325809828.db2.gz UJNMNSBLLVOBSC-CYBMUJFWSA-N 2 0 247.342 0.955 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)c1coc(C[NH3+])c1 ZINC000564798084 325809832 /nfs/dbraw/zinc/80/98/32/325809832.db2.gz QTXQKVZNGKECDS-SNVBAGLBSA-N 2 0 237.303 0.562 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)CCCC[NH3+] ZINC000564988341 325840145 /nfs/dbraw/zinc/84/01/45/325840145.db2.gz CDUCIWPXWUAHIS-HBNTYKKESA-N 2 0 216.325 0.507 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCC[NH2+]1 ZINC000564992937 325840661 /nfs/dbraw/zinc/84/06/61/325840661.db2.gz JNCGORCMAOZQKP-QWHCGFSZSA-N 2 0 237.347 0.341 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])[NH+](C)C ZINC000565041291 325849602 /nfs/dbraw/zinc/84/96/02/325849602.db2.gz UUAYCROXSKJJNW-GARJFASQSA-N 2 0 229.368 0.815 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000565608154 325934376 /nfs/dbraw/zinc/93/43/76/325934376.db2.gz DWXNQOMOOQBEJD-AEJSXWLSSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccnc(C[NH3+])c1 ZINC000566099215 325994521 /nfs/dbraw/zinc/99/45/21/325994521.db2.gz YDNUZNXGAUIFNZ-JOYOIKCWSA-N 2 0 248.330 0.268 20 0 BCADRP [NH3+]CCC[C@H](NC(=O)[C@H]1CC[NH2+]1)c1ccccc1 ZINC000566103482 325995068 /nfs/dbraw/zinc/99/50/68/325995068.db2.gz SZVZXRIWXZWJNA-QWHCGFSZSA-N 2 0 247.342 0.945 20 0 BCADRP [NH3+]CCC[C@@H](NC(=O)[C@H]1CC[NH2+]1)c1ccccc1 ZINC000566103481 325995216 /nfs/dbraw/zinc/99/52/16/325995216.db2.gz SZVZXRIWXZWJNA-CHWSQXEVSA-N 2 0 247.342 0.945 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCCC[NH3+] ZINC000566190352 326009368 /nfs/dbraw/zinc/00/93/68/326009368.db2.gz TYRLZXOOZXCAMB-CMPLNLGQSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000566203873 326011747 /nfs/dbraw/zinc/01/17/47/326011747.db2.gz OMASRZLDCOJVRH-GARJFASQSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000566204647 326012398 /nfs/dbraw/zinc/01/23/98/326012398.db2.gz XXDMOEGGONZVDU-MXWKQRLJSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CC[NH2+]CC1 ZINC000566204387 326012672 /nfs/dbraw/zinc/01/26/72/326012672.db2.gz WIRJLUAHBKAYHX-GXSJLCMTSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000566208905 326013826 /nfs/dbraw/zinc/01/38/26/326013826.db2.gz MJGWYPVVWYUHFQ-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@@H](CNC(=O)C1([NH3+])CC1)c1ccccc1 ZINC000566236923 326021062 /nfs/dbraw/zinc/02/10/62/326021062.db2.gz DXMPKFODHQZIPV-JTQLQIEISA-N 2 0 219.288 0.294 20 0 BCADRP C[N@H+](CCOC[C@H]1CCCO1)C1CC([NH3+])C1 ZINC000566245621 326022420 /nfs/dbraw/zinc/02/24/20/326022420.db2.gz YNQGJYNJIIDTEY-HTAVTVPLSA-N 2 0 228.336 0.604 20 0 BCADRP C[C@H]([NH3+])CN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566245390 326022500 /nfs/dbraw/zinc/02/25/00/326022500.db2.gz PBSIOPVWNFCFTI-WDEREUQCSA-N 2 0 227.352 0.021 20 0 BCADRP C[C@H]([NH3+])CN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000566245389 326022814 /nfs/dbraw/zinc/02/28/14/326022814.db2.gz PBSIOPVWNFCFTI-QWRGUYRKSA-N 2 0 227.352 0.021 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000566293720 326029677 /nfs/dbraw/zinc/02/96/77/326029677.db2.gz BSVXDQOORZSEKP-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000566302738 326031249 /nfs/dbraw/zinc/03/12/49/326031249.db2.gz QQEMBHKHXQPLBE-SNVBAGLBSA-N 2 0 208.309 0.938 20 0 BCADRP [NH3+]CCc1ccccc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000566408124 326040679 /nfs/dbraw/zinc/04/06/79/326040679.db2.gz SLHLJJYTPSITAQ-LBPRGKRZSA-N 2 0 247.342 0.670 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)CC[NH2+]C1CC1 ZINC000566469172 326052679 /nfs/dbraw/zinc/05/26/79/326052679.db2.gz BSCWPTSJXZVEIA-GFCCVEGCSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@]1(C(=O)NCC2=CC[NH2+]CC2)CC[NH2+]C1 ZINC000566556801 326063859 /nfs/dbraw/zinc/06/38/59/326063859.db2.gz CPJZRTDVJYSMOE-LBPRGKRZSA-N 2 0 223.320 0.022 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(C)(C)C[NH3+] ZINC000566562559 326064373 /nfs/dbraw/zinc/06/43/73/326064373.db2.gz RAHHIBNORQKUHC-JGVFFNPUSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000566618254 326068326 /nfs/dbraw/zinc/06/83/26/326068326.db2.gz ALIRLAJFNNJWAS-UWVGGRQHSA-N 2 0 227.352 0.489 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000566716910 326076298 /nfs/dbraw/zinc/07/62/98/326076298.db2.gz PZHVXPAGQQSXCB-CHWSQXEVSA-N 2 0 243.395 0.183 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000566794845 326082784 /nfs/dbraw/zinc/08/27/84/326082784.db2.gz GFMALQAUTAXZPG-KXUCPTDWSA-N 2 0 228.340 0.245 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000566845294 326087272 /nfs/dbraw/zinc/08/72/72/326087272.db2.gz HTPKXTYQJGJYJO-IVZWLZJFSA-N 2 0 225.336 0.241 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000567031212 326103836 /nfs/dbraw/zinc/10/38/36/326103836.db2.gz OVOIBZDKYTWORG-LZQZFOIKSA-N 2 0 239.363 0.487 20 0 BCADRP CC[NH2+]CCCN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000567159323 326125656 /nfs/dbraw/zinc/12/56/56/326125656.db2.gz GBPQUCCNUZKTFK-CHWSQXEVSA-N 2 0 241.379 0.343 20 0 BCADRP C[C@H]1CN(C(=O)C[NH2+]CC2CC2)CC[C@H]1[NH3+] ZINC000567165198 326127305 /nfs/dbraw/zinc/12/73/05/326127305.db2.gz STAIGZPSOJWTPB-GXSJLCMTSA-N 2 0 225.336 0.182 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000154395444 326142553 /nfs/dbraw/zinc/14/25/53/326142553.db2.gz MHTHWBFCLHVDAV-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CCSC ZINC000567232854 326147441 /nfs/dbraw/zinc/14/74/41/326147441.db2.gz NFJCMXCIKRVOGI-NXEZZACHSA-N 2 0 247.408 0.701 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)CC[NH3+])CC1 ZINC000309767080 326167709 /nfs/dbraw/zinc/16/77/09/326167709.db2.gz JQNRRGQZVVQIMI-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H]1CCC[NH+](C)C1 ZINC000309823352 326170097 /nfs/dbraw/zinc/17/00/97/326170097.db2.gz WVEWHSHMXFQGAX-UPJWGTAASA-N 2 0 225.380 0.868 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567354091 326172681 /nfs/dbraw/zinc/17/26/81/326172681.db2.gz XAQWVDNWXXWZMI-WYUUTHIRSA-N 2 0 239.363 0.522 20 0 BCADRP CC[C@@H](C(=O)NCC(C)(C)[NH+](C)C)[NH+](C)C ZINC000155005017 326178630 /nfs/dbraw/zinc/17/86/30/326178630.db2.gz SSHNFPNRUDEHON-JTQLQIEISA-N 2 0 229.368 0.783 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000567469608 326198841 /nfs/dbraw/zinc/19/88/41/326198841.db2.gz PBMLGVJFVWNIMK-CMPLNLGQSA-N 2 0 227.352 0.701 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000567469986 326199158 /nfs/dbraw/zinc/19/91/58/326199158.db2.gz FLQDJYCHFJCABG-MXWKQRLJSA-N 2 0 227.352 0.603 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000567500298 326205326 /nfs/dbraw/zinc/20/53/26/326205326.db2.gz VUSXEXDHXINWED-DGCLKSJQSA-N 2 0 237.347 0.183 20 0 BCADRP CO[C@H](C[NH3+])c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000567587645 326220661 /nfs/dbraw/zinc/22/06/61/326220661.db2.gz ZCTJYMPAWZZEKA-JGVFFNPUSA-N 2 0 228.296 0.762 20 0 BCADRP C[C@@H](C(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[C@H](C)[NH3+] ZINC000567604980 326227334 /nfs/dbraw/zinc/22/73/34/326227334.db2.gz WXTFJHJRTVEBFZ-YWVKMMECSA-N 2 0 225.336 0.323 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000567611834 326228935 /nfs/dbraw/zinc/22/89/35/326228935.db2.gz ONVMZXNXJQZGCF-NWDGAFQWSA-N 2 0 237.347 0.410 20 0 BCADRP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000567671533 326242862 /nfs/dbraw/zinc/24/28/62/326242862.db2.gz YGECYMIXZWNGCU-QWRGUYRKSA-N 2 0 225.336 0.387 20 0 BCADRP Cn1cnc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000313248521 326260205 /nfs/dbraw/zinc/26/02/05/326260205.db2.gz BRKBAUUIBAZTFJ-MNOVXSKESA-N 2 0 222.336 0.822 20 0 BCADRP C[NH2+]CCCC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000567811711 326261454 /nfs/dbraw/zinc/26/14/54/326261454.db2.gz AZPLPOHBHYXZFP-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000567817530 326262484 /nfs/dbraw/zinc/26/24/84/326262484.db2.gz ZNFUABDLBQSMMN-CZXHOFHRSA-N 2 0 249.358 0.196 20 0 BCADRP Cc1cnccc1CN1CCCO[C@H](C[NH3+])C1 ZINC000313339032 326263462 /nfs/dbraw/zinc/26/34/62/326263462.db2.gz DWSJMYIYDGJODW-CYBMUJFWSA-N 2 0 235.331 0.940 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000567833976 326266375 /nfs/dbraw/zinc/26/63/75/326266375.db2.gz RJLFLKIRVAZUFM-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1coc(C[NH3+])c1 ZINC000567835933 326266542 /nfs/dbraw/zinc/26/65/42/326266542.db2.gz RBIMQWDOWBVKRD-GZMMTYOYSA-N 2 0 237.303 0.466 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC1=CC[NH2+]CC1 ZINC000567839715 326267773 /nfs/dbraw/zinc/26/77/73/326267773.db2.gz HDBFHJSUPNYGSH-UHFFFAOYSA-N 2 0 225.336 0.410 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000567847623 326269537 /nfs/dbraw/zinc/26/95/37/326269537.db2.gz UKLSOGOENMLFTE-AXTSPUMRSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000567901793 326280003 /nfs/dbraw/zinc/28/00/03/326280003.db2.gz SPLXKHIFWDUVIH-MKPLZMMCSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+]CCCCC(=O)NCCC[NH2+]C1CC1 ZINC000567923064 326283729 /nfs/dbraw/zinc/28/37/29/326283729.db2.gz ZELJSPBMBXEZPW-UHFFFAOYSA-N 2 0 213.325 0.374 20 0 BCADRP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CC)C1)[NH+](C)C ZINC000158276418 326314719 /nfs/dbraw/zinc/31/47/19/326314719.db2.gz FVUQJBHQWRSMFF-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP CN(C(=O)CC[NH2+]C1CC1)C1CC[NH2+]CC1 ZINC000568235578 326331508 /nfs/dbraw/zinc/33/15/08/326331508.db2.gz SOAJITFARKCWSM-UHFFFAOYSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NC(C)(C)CC[NH3+] ZINC000568271941 326338881 /nfs/dbraw/zinc/33/88/81/326338881.db2.gz KKFSISFRZXGZMU-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCC[NH2+]1 ZINC000159054168 326348846 /nfs/dbraw/zinc/34/88/46/326348846.db2.gz KBTJRHQNHPXFKA-LOWVWBTDSA-N 2 0 237.347 0.481 20 0 BCADRP CC(C)[NH2+]CCC[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000568381411 326351480 /nfs/dbraw/zinc/35/14/80/326351480.db2.gz JQXZRJDUXPJRGX-OLZOCXBDSA-N 2 0 243.395 0.731 20 0 BCADRP [NH3+]C1(c2noc([C@@H]3CCC[NH2+]C3)n2)CCC1 ZINC000568391046 326353271 /nfs/dbraw/zinc/35/32/71/326353271.db2.gz YCUWIYPDNCKYOX-MRVPVSSYSA-N 2 0 222.292 0.875 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@@H]1CC[NH2+]C1 ZINC000568392187 326353617 /nfs/dbraw/zinc/35/36/17/326353617.db2.gz KOJHYXAXJBCZSH-CFMPPFMSSA-N 2 0 237.347 0.228 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)CC[NH3+])CC1 ZINC000568507946 326361004 /nfs/dbraw/zinc/36/10/04/326361004.db2.gz QNNQNPQXZBJFCJ-SNVBAGLBSA-N 2 0 213.325 0.278 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000568510538 326361460 /nfs/dbraw/zinc/36/14/60/326361460.db2.gz RAPBUKBDJMABEU-CKYFFXLPSA-N 2 0 225.336 0.230 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000568628250 326366360 /nfs/dbraw/zinc/36/63/60/326366360.db2.gz NIJFBOSRHMUAAZ-JTQLQIEISA-N 2 0 245.392 0.183 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000568629762 326369065 /nfs/dbraw/zinc/36/90/65/326369065.db2.gz RBRUZFJQNZXTOJ-GHMZBOCLSA-N 2 0 227.352 0.844 20 0 BCADRP CN(CC[NH3+])CCOC[C@H]1CCCO1 ZINC000568733235 326373889 /nfs/dbraw/zinc/37/38/89/326373889.db2.gz SFGBGMLLAHLXDS-SNVBAGLBSA-N 2 0 202.298 0.073 20 0 BCADRP COC[C@@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000568754173 326375298 /nfs/dbraw/zinc/37/52/98/326375298.db2.gz FADXMGILWHBKCN-ZDUSSCGKSA-N 2 0 242.363 0.600 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000568997569 326385574 /nfs/dbraw/zinc/38/55/74/326385574.db2.gz MDPMWNLHZCLLNM-GFCCVEGCSA-N 2 0 225.336 0.198 20 0 BCADRP CC(C)([NH3+])CN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000569003675 326386346 /nfs/dbraw/zinc/38/63/46/326386346.db2.gz SRGBFGUWOLTOMN-NSHDSACASA-N 2 0 241.379 0.411 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC000569004614 326386506 /nfs/dbraw/zinc/38/65/06/326386506.db2.gz HZSIJAIVKOWWTD-MNOVXSKESA-N 2 0 239.363 0.857 20 0 BCADRP NC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000569018976 326387053 /nfs/dbraw/zinc/38/70/53/326387053.db2.gz GEKXPOKNOKETRA-MNOVXSKESA-N 2 0 248.330 0.540 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000569099139 326389757 /nfs/dbraw/zinc/38/97/57/326389757.db2.gz RMIIKWLRRUIMAS-GARJFASQSA-N 2 0 223.320 0.030 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000569246639 326397596 /nfs/dbraw/zinc/39/75/96/326397596.db2.gz JELDMUULFAMPTF-GWOFURMSSA-N 2 0 225.336 0.371 20 0 BCADRP CCCN(C(=O)[C@@H](C)C[NH2+]C)C1CC[NH2+]CC1 ZINC000163322626 326400308 /nfs/dbraw/zinc/40/03/08/326400308.db2.gz ZRONNVJZJCRGGL-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CCCN(C(=O)CCC[NH3+])C1CC[NH2+]CC1 ZINC000163356247 326400654 /nfs/dbraw/zinc/40/06/54/326400654.db2.gz LKRJHFIWAXVZMI-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCn2ccnn2)C1 ZINC000163753677 326405256 /nfs/dbraw/zinc/40/52/56/326405256.db2.gz RWBLPQSBCDCLIJ-QWRGUYRKSA-N 2 0 223.324 0.528 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)[C@@H](C)[NH3+] ZINC000572877637 326416416 /nfs/dbraw/zinc/41/64/16/326416416.db2.gz QNMGXVCYYIIRGK-USZNOCQGSA-N 2 0 241.379 0.802 20 0 BCADRP CC[NH2+]CCCNC(=O)C1([NH3+])CCCCC1 ZINC000572943983 326419937 /nfs/dbraw/zinc/41/99/37/326419937.db2.gz MBYNAQVTWVHOFU-UHFFFAOYSA-N 2 0 227.352 0.764 20 0 BCADRP C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000572952419 326420519 /nfs/dbraw/zinc/42/05/19/326420519.db2.gz OZMQJDIZSYVVPZ-LOWVWBTDSA-N 2 0 239.363 0.490 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH3+])C1 ZINC000572999243 326423849 /nfs/dbraw/zinc/42/38/49/326423849.db2.gz MYIJYZOUDBVVKL-VIFPVBQESA-N 2 0 213.325 0.134 20 0 BCADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)CC(N)=O ZINC000165963946 326427297 /nfs/dbraw/zinc/42/72/97/326427297.db2.gz CXKPFEIBFKBMKX-GHMZBOCLSA-N 2 0 245.367 0.197 20 0 BCADRP [NH3+]C1(C(=O)NCCC[C@H]2CCC[NH2+]2)CCC1 ZINC000573089975 326428959 /nfs/dbraw/zinc/42/89/59/326428959.db2.gz WRTMMGNXELLWGW-SNVBAGLBSA-N 2 0 225.336 0.516 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[NH2+]CC1(C)C ZINC000309476202 487973374 /nfs/dbraw/zinc/97/33/74/487973374.db2.gz RYDMMXMHDIEZHZ-RKDXNWHRSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NC1CCC([NH3+])CC1 ZINC000165414463 487979067 /nfs/dbraw/zinc/97/90/67/487979067.db2.gz RGQCVUXESVUJPX-AFWXGSBKSA-N 2 0 213.325 0.356 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)CCC[NH3+] ZINC000158854566 487978664 /nfs/dbraw/zinc/97/86/64/487978664.db2.gz IMLPWSGYQLPZTO-BDAKNGLRSA-N 2 0 201.314 0.167 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000446408506 487980713 /nfs/dbraw/zinc/98/07/13/487980713.db2.gz KOIKAFZUQPYQOB-GMTAPVOTSA-N 2 0 225.336 0.515 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000446409070 487981168 /nfs/dbraw/zinc/98/11/68/487981168.db2.gz QZUDPOONIFWNIC-VWYCJHECSA-N 2 0 227.352 0.746 20 0 BCADRP CC(=O)N[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000396627622 487989445 /nfs/dbraw/zinc/98/94/45/487989445.db2.gz CKWZFCNEUXOYEZ-RYUDHWBXSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CC2)CC[N@@H+]1C ZINC000226831077 487999270 /nfs/dbraw/zinc/99/92/70/487999270.db2.gz PEAUOWBMRUJLTF-ADEWGFFLSA-N 2 0 212.337 0.830 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)CO ZINC000643475014 488015728 /nfs/dbraw/zinc/01/57/28/488015728.db2.gz OGUSNISNYOGNDR-WDEREUQCSA-N 2 0 214.353 0.983 20 0 BCADRP CC[C@H]1C[N@H+](CC(C)(C)O)CC[C@@H]1[NH3+] ZINC000147429283 488019580 /nfs/dbraw/zinc/01/95/80/488019580.db2.gz LFIGQKAEVHRCRO-UWVGGRQHSA-N 2 0 200.326 0.817 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)C1([NH+](C)C)CC1 ZINC000668638080 488037719 /nfs/dbraw/zinc/03/77/19/488037719.db2.gz AIZIIHCACVOALD-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000655449134 488037922 /nfs/dbraw/zinc/03/79/22/488037922.db2.gz LNRRDNVXKVAKGU-ZJUUUORDSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000655449132 488038028 /nfs/dbraw/zinc/03/80/28/488038028.db2.gz LNRRDNVXKVAKGU-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP CC1([NH3+])CCN(C[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC000663495020 488043844 /nfs/dbraw/zinc/04/38/44/488043844.db2.gz TUPIMWXXLAWKNX-CMPLNLGQSA-N 2 0 209.337 0.409 20 0 BCADRP C[C@H](NC[C@@]12C[C@@H]1C[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000663494720 488043885 /nfs/dbraw/zinc/04/38/85/488043885.db2.gz QRSYPXKXBCUNTR-LOWDOPEQSA-N 2 0 223.364 0.574 20 0 BCADRP C([NH+]1CCC([C@H]2CC[NH2+]C2)CC1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663495294 488044975 /nfs/dbraw/zinc/04/49/75/488044975.db2.gz WWNWRZDCEUCRGP-SOUVJXGZSA-N 3 0 249.402 0.917 20 0 BCADRP CN(Cc1nc2c(s1)C[NH2+]CC2)C1C[NH2+]C1 ZINC000663494757 488045222 /nfs/dbraw/zinc/04/52/22/488045222.db2.gz RLLOGRNDBPLIOK-UHFFFAOYSA-N 2 0 238.360 0.192 20 0 BCADRP C[C@H]1C[C@@H](NCC23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000663499576 488047716 /nfs/dbraw/zinc/04/77/16/488047716.db2.gz DFSCQTFGDACJSK-VOBJUBJWSA-N 2 0 209.337 0.469 20 0 BCADRP C[C@]1(CNC[C@@]23C[C@@H]2C[NH2+]C3)CCC[NH2+]C1 ZINC000663499899 488048463 /nfs/dbraw/zinc/04/84/63/488048463.db2.gz WXLGVXIGSAFDSH-AGIUHOORSA-N 2 0 223.364 0.575 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NCc1nc2c(s1)C[NH2+]CC2 ZINC000663500024 488049217 /nfs/dbraw/zinc/04/92/17/488049217.db2.gz YDHRHLUIYXKKBA-SFYZADRCSA-N 2 0 240.376 0.614 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000396913898 488065057 /nfs/dbraw/zinc/06/50/57/488065057.db2.gz FISOSVVDGOTGDI-NSHDSACASA-N 2 0 230.352 0.722 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000247452212 488065582 /nfs/dbraw/zinc/06/55/82/488065582.db2.gz ZVVILCXIDXLPSM-GUBZILKMSA-N 2 0 213.325 0.167 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000655453143 488071104 /nfs/dbraw/zinc/07/11/04/488071104.db2.gz SBBMRNDALHXFGS-NSHDSACASA-N 2 0 235.331 0.582 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538937 488071238 /nfs/dbraw/zinc/07/12/38/488071238.db2.gz LMFFNJCIYLMOSP-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)[NH3+])C1 ZINC000389148926 488078504 /nfs/dbraw/zinc/07/85/04/488078504.db2.gz IXNFCBDTORKHLA-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000257676761 488079176 /nfs/dbraw/zinc/07/91/76/488079176.db2.gz HWHUUSVFCGYSSE-NXEZZACHSA-N 2 0 211.309 0.030 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000236649454 488079477 /nfs/dbraw/zinc/07/94/77/488079477.db2.gz CJBNMXFCDQRIMV-TUAOUCFPSA-N 2 0 241.379 0.946 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C[NH2+]C)C1 ZINC000389162726 488079865 /nfs/dbraw/zinc/07/98/65/488079865.db2.gz LXJNFFNWTYJUHP-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H](C)[NH+](C)C ZINC000236826361 488090662 /nfs/dbraw/zinc/09/06/62/488090662.db2.gz DETGDSQCYPWPLK-GXSJLCMTSA-N 2 0 215.341 0.426 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000653268629 488091891 /nfs/dbraw/zinc/09/18/91/488091891.db2.gz XIHCXSQDSUZLKH-UHFFFAOYSA-N 2 0 227.352 0.477 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H](C)[NH3+])C1 ZINC000389400393 488094558 /nfs/dbraw/zinc/09/45/58/488094558.db2.gz PLLCKDGOBGVMLV-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C(c1nc([C@@H]2CCC[NH2+]2)no1)[C@@H]1CCC[NH2+]1 ZINC000257994794 488094607 /nfs/dbraw/zinc/09/46/07/488094607.db2.gz LVRQLDHKDXHHCW-IUCAKERBSA-N 2 0 222.292 0.789 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](C)[NH+](C)C ZINC000236911863 488096743 /nfs/dbraw/zinc/09/67/43/488096743.db2.gz MTUXYRCWOKQNBN-VHSXEESVSA-N 2 0 215.341 0.570 20 0 BCADRP C[NH+](C)CCn1cc(NC(=O)CCC[NH3+])cn1 ZINC000236988957 488099878 /nfs/dbraw/zinc/09/98/78/488099878.db2.gz CXEHJSYBFZFTNK-UHFFFAOYSA-N 2 0 239.323 0.122 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CC[NH+](C2CCC2)CC1 ZINC000378699302 488102269 /nfs/dbraw/zinc/10/22/69/488102269.db2.gz IFYRHWJFHHLWNR-LBPRGKRZSA-N 2 0 223.364 0.766 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC000389649396 488104649 /nfs/dbraw/zinc/10/46/49/488104649.db2.gz NOWMJNYJBNNQBP-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000092951139 488106152 /nfs/dbraw/zinc/10/61/52/488106152.db2.gz ZIFNHEGONCVPEO-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP COC1(CO)CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000402923029 488108655 /nfs/dbraw/zinc/10/86/55/488108655.db2.gz PFCIQARVDKQMFY-LBPRGKRZSA-N 2 0 242.363 0.459 20 0 BCADRP C[C@@]1(C(=O)NCC2([NH3+])CCCCC2)CCC[NH2+]1 ZINC000669508300 488108904 /nfs/dbraw/zinc/10/89/04/488108904.db2.gz BIZQGJXMVOEDML-LBPRGKRZSA-N 2 0 239.363 0.906 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000389730811 488109752 /nfs/dbraw/zinc/10/97/52/488109752.db2.gz JQUFVOXHZGERBL-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669509629 488109781 /nfs/dbraw/zinc/10/97/81/488109781.db2.gz JYNUTHCSOPSSQK-SRVKXCTJSA-N 2 0 239.363 0.633 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669509433 488110195 /nfs/dbraw/zinc/11/01/95/488110195.db2.gz DWGJDRMYDMHGOS-JQWIXIFHSA-N 2 0 227.352 0.762 20 0 BCADRP C[NH+](C)CCCCNC(=O)C1([NH+](C)C)CC1 ZINC000668681398 488110698 /nfs/dbraw/zinc/11/06/98/488110698.db2.gz JWZGPPFYYPUISH-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CCCN(C(=O)CC1([NH3+])CCC1)[C@@H]1CC[NH2+]C1 ZINC000669510673 488113410 /nfs/dbraw/zinc/11/34/10/488113410.db2.gz NYUJBIYZZYVIHF-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP CC(C)([NH3+])CC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000669510642 488113459 /nfs/dbraw/zinc/11/34/59/488113459.db2.gz DBYQDLFOKAATLH-NSHDSACASA-N 2 0 235.331 0.930 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000669511305 488114863 /nfs/dbraw/zinc/11/48/63/488114863.db2.gz FBNQXFCFCBHESV-KXNHARMFSA-N 2 0 239.363 0.570 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@H]([NH3+])c1ccccc1 ZINC000669511885 488117084 /nfs/dbraw/zinc/11/70/84/488117084.db2.gz LMERORWAZREETL-LLVKDONJSA-N 2 0 221.304 0.494 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000237208712 488117456 /nfs/dbraw/zinc/11/74/56/488117456.db2.gz CTAFDITXNVWUPM-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)CC(C)(C)[NH3+] ZINC000237215222 488117554 /nfs/dbraw/zinc/11/75/54/488117554.db2.gz NIDKCQSIWBIRNA-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000669512435 488118570 /nfs/dbraw/zinc/11/85/70/488118570.db2.gz VDZSXBAVTKZPSA-UHFFFAOYSA-N 2 0 247.342 0.969 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)CC1([NH3+])CCC1 ZINC000669512762 488119806 /nfs/dbraw/zinc/11/98/06/488119806.db2.gz PXUNKQQGGLIOQL-SNVBAGLBSA-N 2 0 227.352 0.892 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CC1([NH3+])CCC1 ZINC000669513558 488121629 /nfs/dbraw/zinc/12/16/29/488121629.db2.gz JDIHFHLQHXPHIZ-VHSXEESVSA-N 2 0 225.336 0.467 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000258579491 488122979 /nfs/dbraw/zinc/12/29/79/488122979.db2.gz PUQBFPLSUUPFIO-MNOVXSKESA-N 2 0 240.351 0.132 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)CC[NH2+]1 ZINC000669514881 488123884 /nfs/dbraw/zinc/12/38/84/488123884.db2.gz OQURFPHYEZVMQM-IJLUTSLNSA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC[NH2+]1 ZINC000669514696 488124222 /nfs/dbraw/zinc/12/42/22/488124222.db2.gz ADNCHCLYEQZWFQ-GARJFASQSA-N 2 0 227.352 0.426 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000669514683 488124561 /nfs/dbraw/zinc/12/45/61/488124561.db2.gz ZJERVRMOEIFZEU-MNOVXSKESA-N 2 0 227.352 0.426 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000669514694 488125177 /nfs/dbraw/zinc/12/51/77/488125177.db2.gz ABZBHQDYHMLCAU-DGCLKSJQSA-N 2 0 239.363 0.442 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000258652608 488126315 /nfs/dbraw/zinc/12/63/15/488126315.db2.gz SHPXGBQOGZDBHI-QWRGUYRKSA-N 2 0 240.351 0.132 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000669516213 488126675 /nfs/dbraw/zinc/12/66/75/488126675.db2.gz XXEUUCWLASQUDP-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000669517031 488127383 /nfs/dbraw/zinc/12/73/83/488127383.db2.gz SHWFKCPBHYDZIM-JBLDHEPKSA-N 2 0 235.331 0.786 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000669517032 488127425 /nfs/dbraw/zinc/12/74/25/488127425.db2.gz SHWFKCPBHYDZIM-NHCYSSNCSA-N 2 0 235.331 0.786 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000669517795 488129342 /nfs/dbraw/zinc/12/93/42/488129342.db2.gz XORHFZDMJMLJAW-SNVBAGLBSA-N 2 0 227.352 0.749 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000669517717 488129698 /nfs/dbraw/zinc/12/96/98/488129698.db2.gz DOMHEOOLWZUWBM-RISCZKNCSA-N 2 0 247.342 0.381 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000237255911 488130203 /nfs/dbraw/zinc/13/02/03/488130203.db2.gz QKZRBQGPDAPJHK-CYBMUJFWSA-N 2 0 247.342 0.969 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[NH+](C)C ZINC000674263835 487538712 /nfs/dbraw/zinc/53/87/12/487538712.db2.gz PCMYYCNBNCVSCB-TUAOUCFPSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000309744102 487541046 /nfs/dbraw/zinc/54/10/46/487541046.db2.gz FBGLRFFCJWDAEQ-NXEZZACHSA-N 2 0 213.325 0.228 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH3+])o2)C1 ZINC000094567244 487541952 /nfs/dbraw/zinc/54/19/52/487541952.db2.gz HDBVNCLSXOQDIG-VIFPVBQESA-N 2 0 237.303 0.420 20 0 BCADRP C[C@@H](C(=O)NCCC[NH+](C)C)[NH+](C)C ZINC000674265945 487542024 /nfs/dbraw/zinc/54/20/24/487542024.db2.gz LDGJOEQLIYNJQW-VIFPVBQESA-N 2 0 201.314 0.004 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220882405 487542193 /nfs/dbraw/zinc/54/21/93/487542193.db2.gz XFFAZMUCYDEWBM-SDDRHHMPSA-N 2 0 239.363 0.537 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000094570984 487543774 /nfs/dbraw/zinc/54/37/74/487543774.db2.gz QSJQXJPKBBXJIB-SECBINFHSA-N 2 0 249.314 0.705 20 0 BCADRP c1cn(C[C@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)nn1 ZINC000662297039 487544097 /nfs/dbraw/zinc/54/40/97/487544097.db2.gz YIAJXGQXLJIFQT-NEPJUHHUSA-N 2 0 235.335 0.210 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000428485354 487544361 /nfs/dbraw/zinc/54/43/61/487544361.db2.gz VLHHPILZYODUPV-WDEREUQCSA-N 2 0 239.363 0.892 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000070088300 487548342 /nfs/dbraw/zinc/54/83/42/487548342.db2.gz NPWCKTFXRJJRBN-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](C(=O)NCCC1CC[NH+](C)CC1)[NH+](C)C ZINC000674288315 487548915 /nfs/dbraw/zinc/54/89/15/487548915.db2.gz XALDLADPKXYECX-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H](C(=O)NCCc1ncc[nH]1)[NH+](C)C ZINC000674289744 487550683 /nfs/dbraw/zinc/55/06/83/487550683.db2.gz QHWCVFSVVOHYPS-QMMMGPOBSA-N 2 0 210.281 0.019 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000261751906 487550926 /nfs/dbraw/zinc/55/09/26/487550926.db2.gz IZUXOWHSMBEREW-NNYUYHANSA-N 2 0 239.363 0.890 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)NCCC1CC[NH2+]CC1 ZINC000653272383 487471895 /nfs/dbraw/zinc/47/18/95/487471895.db2.gz LBZQWBRGTSZJGQ-GFCCVEGCSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@@H]1CCCN(C(=O)CC2([NH3+])CCC2)[C@@H]1C[NH3+] ZINC000237483545 487476693 /nfs/dbraw/zinc/47/66/93/487476693.db2.gz BBYIWSCFBJESBO-GHMZBOCLSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@@]1(C(=O)NC[C@H]2CCCC[NH2+]2)CCC[NH2+]C1 ZINC000237506504 487479552 /nfs/dbraw/zinc/47/95/52/487479552.db2.gz HHQQAZBTLASZBF-DGCLKSJQSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H](C[N@H+](C)C[C@@H](O)C[NH3+])C(C)(C)C ZINC000399484596 487486400 /nfs/dbraw/zinc/48/64/00/487486400.db2.gz DADCJTVNAQCXIC-UWVGGRQHSA-N 2 0 202.342 0.920 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[NH+](C)C ZINC000237611694 487493304 /nfs/dbraw/zinc/49/33/04/487493304.db2.gz CSEPHAPVRWZUGK-HBNTYKKESA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC[NH+]1CCC(C)CC1 ZINC000040772651 487493996 /nfs/dbraw/zinc/49/39/96/487493996.db2.gz PBNHBSHEPUHSAA-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)[NH+](C)C ZINC000086271385 487495052 /nfs/dbraw/zinc/49/50/52/487495052.db2.gz YGPYVFZHTPLTRH-UTLUCORTSA-N 2 0 213.325 0.051 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000086271215 487495171 /nfs/dbraw/zinc/49/51/71/487495171.db2.gz MSELVWXEVJKPTG-GARJFASQSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)[NH+](C)C ZINC000086271383 487495455 /nfs/dbraw/zinc/49/54/55/487495455.db2.gz YGPYVFZHTPLTRH-KXUCPTDWSA-N 2 0 213.325 0.051 20 0 BCADRP CCO[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000086435539 487506952 /nfs/dbraw/zinc/50/69/52/487506952.db2.gz JHPBZIDWLPDMCS-NSHDSACASA-N 2 0 216.325 0.463 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C(C)(C)[NH3+])CC[NH2+]1 ZINC000381239901 487501809 /nfs/dbraw/zinc/50/18/09/487501809.db2.gz ADOWFKYVCQRYNT-SECBINFHSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@]1(C(=O)NC[C@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000237764016 487512434 /nfs/dbraw/zinc/51/24/34/487512434.db2.gz CJPGKSFESCDLCC-PWSUYJOCSA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000381562767 487512668 /nfs/dbraw/zinc/51/26/68/487512668.db2.gz QZDFKFHHWXLQIC-DTWKUNHWSA-N 2 0 211.309 0.111 20 0 BCADRP COCC[C@](C)(O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000300396922 487512776 /nfs/dbraw/zinc/51/27/76/487512776.db2.gz RRXQWNJIVVPPKI-SRVKXCTJSA-N 2 0 230.352 0.633 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161651537 487507784 /nfs/dbraw/zinc/50/77/84/487507784.db2.gz KCOBAGYGJZXEGU-WDEREUQCSA-N 2 0 227.352 0.713 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)CC(C)(C)[NH3+] ZINC000381439269 487508365 /nfs/dbraw/zinc/50/83/65/487508365.db2.gz DOYULVMSXZJMBC-UHFFFAOYSA-N 2 0 215.341 0.748 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000381436224 487508460 /nfs/dbraw/zinc/50/84/60/487508460.db2.gz XYZWNXFEMPPDQG-LPEHRKFASA-N 2 0 213.325 0.180 20 0 BCADRP COC1(CO)CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000402900872 487518133 /nfs/dbraw/zinc/51/81/33/487518133.db2.gz LIJPXSAXCZYKBE-LBPRGKRZSA-N 2 0 242.363 0.459 20 0 BCADRP CCN1CC[C@H]([N@@H+]2CCC[C@H](CC[NH3+])C2)C1=O ZINC000662273669 487521820 /nfs/dbraw/zinc/52/18/20/487521820.db2.gz XRBRCSCJBAGQJD-NEPJUHHUSA-N 2 0 239.363 0.668 20 0 BCADRP [NH3+][C@H](CC(=O)NCC[NH2+]C1CC1)c1ccccc1 ZINC000237853431 487522070 /nfs/dbraw/zinc/52/20/70/487522070.db2.gz TWLYPXJBERWFEU-CYBMUJFWSA-N 2 0 247.342 0.945 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)CC1([NH3+])CCC1 ZINC000094293372 487523345 /nfs/dbraw/zinc/52/33/45/487523345.db2.gz OFWYLLVSOWZCFJ-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000669520856 488149408 /nfs/dbraw/zinc/14/94/08/488149408.db2.gz DHLOFRQSTHMABM-NWDGAFQWSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000674247296 487526816 /nfs/dbraw/zinc/52/68/16/487526816.db2.gz XPFCZBLQLZMQGT-RYUDHWBXSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CCCN(C(=O)CC(C)(C)[NH3+])[C@H]1C[NH3+] ZINC000237397448 488154072 /nfs/dbraw/zinc/15/40/72/488154072.db2.gz QFGSEYBMZRLHLR-ZJUUUORDSA-N 2 0 227.352 0.700 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000162049788 487534494 /nfs/dbraw/zinc/53/44/94/487534494.db2.gz ZMIHDILHYZNGMA-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)CC(C)(C)[NH3+])[C@@H]1C ZINC000390526930 488164856 /nfs/dbraw/zinc/16/48/56/488164856.db2.gz HBWBYLQRMGPDCH-RKDXNWHRSA-N 2 0 213.325 0.323 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)[C@H](C)[NH+](C)C ZINC000674245612 487535017 /nfs/dbraw/zinc/53/50/17/487535017.db2.gz RUDDCVXQKFGAPN-MNOVXSKESA-N 2 0 229.368 0.783 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC/C=C/C[NH3+] ZINC000669451473 487896712 /nfs/dbraw/zinc/89/67/12/487896712.db2.gz KXBMTGNGWLKLOI-MVIFTORASA-N 2 0 242.367 0.531 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC([NH3+])CC1 ZINC000236691881 488081572 /nfs/dbraw/zinc/08/15/72/488081572.db2.gz VBHISGLZOXTYOC-SNVBAGLBSA-N 2 0 213.325 0.310 20 0 BCADRP C1C[NH2+][C@@H](c2nc([C@@H]3CCC[NH2+]3)no2)C1 ZINC000258133165 488101904 /nfs/dbraw/zinc/10/19/04/488101904.db2.gz UVCIWAXWAISNDD-JGVFFNPUSA-N 2 0 208.265 0.919 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000258815724 488137223 /nfs/dbraw/zinc/13/72/23/488137223.db2.gz XLUKEQFNOSMTKE-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@H](C)C1 ZINC000379446568 488137285 /nfs/dbraw/zinc/13/72/85/488137285.db2.gz XSPOOWFQSPHWEG-NEPJUHHUSA-N 2 0 246.420 0.984 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)F ZINC000669520265 488139720 /nfs/dbraw/zinc/13/97/20/488139720.db2.gz SCBWNVKPLYNNNN-HTQZYQBOSA-N 2 0 237.294 0.459 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000237314450 488145232 /nfs/dbraw/zinc/14/52/32/488145232.db2.gz KBNWZVPQIDVNNL-JTQLQIEISA-N 2 0 227.352 0.395 20 0 BCADRP CN(C[C@H]1CCC[N@H+](C)C1)C[C@@H]1C[NH2+]CCO1 ZINC000258991488 488145378 /nfs/dbraw/zinc/14/53/78/488145378.db2.gz VPAOGBOAOZFPGN-STQMWFEESA-N 2 0 241.379 0.248 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000669520877 488149194 /nfs/dbraw/zinc/14/91/94/488149194.db2.gz LBNINVAHLLXYMM-JTQLQIEISA-N 2 0 227.352 0.631 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CC1([NH3+])CCC1 ZINC000669521127 488150306 /nfs/dbraw/zinc/15/03/06/488150306.db2.gz CBTLVASSCKPVHD-VIFPVBQESA-N 2 0 227.352 0.748 20 0 BCADRP [NH3+]C[C@H](NC(=O)CC1([NH3+])CCC1)C1CCCC1 ZINC000669521089 488150801 /nfs/dbraw/zinc/15/08/01/488150801.db2.gz RTQDQFGGIXROCG-NSHDSACASA-N 2 0 239.363 0.892 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC000230774587 488156710 /nfs/dbraw/zinc/15/67/10/488156710.db2.gz QCXZVPMLORCSNJ-NSHDSACASA-N 2 0 222.336 0.504 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCc1ccnn1C ZINC000230775540 488156738 /nfs/dbraw/zinc/15/67/38/488156738.db2.gz BOXPYVJGXXTONR-WDEREUQCSA-N 2 0 222.336 0.632 20 0 BCADRP Cn1nccc1CC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000230774514 488156757 /nfs/dbraw/zinc/15/67/57/488156757.db2.gz XMIARCTWOMDDOW-SNVBAGLBSA-N 2 0 208.309 0.243 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1ccnn1C ZINC000230775482 488156790 /nfs/dbraw/zinc/15/67/90/488156790.db2.gz SDCQFIXMFUBVLV-QWRGUYRKSA-N 2 0 222.336 0.774 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC000230775571 488156901 /nfs/dbraw/zinc/15/69/01/488156901.db2.gz FZHIHBBOYKWGGQ-WDEREUQCSA-N 2 0 222.336 0.632 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCOCCO)C1 ZINC000230782877 488158169 /nfs/dbraw/zinc/15/81/69/488158169.db2.gz BLQDZJXHTVUIQV-MNOVXSKESA-N 2 0 216.325 0.245 20 0 BCADRP CN(C(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CC[NH+](C)CC1 ZINC000085356678 488162894 /nfs/dbraw/zinc/16/28/94/488162894.db2.gz ZYVQSRBYSKNSCZ-NEPJUHHUSA-N 2 0 239.363 0.666 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000085373111 488164766 /nfs/dbraw/zinc/16/47/66/488164766.db2.gz CDJWIPIFSPDBAK-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H]1CN(Cc2ccn(C)n2)CC[C@@H]1[NH3+] ZINC000160789629 488166049 /nfs/dbraw/zinc/16/60/49/488166049.db2.gz MBIPFPGZXWFXTD-PWSUYJOCSA-N 2 0 222.336 0.979 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CC(C)(C)[NH3+] ZINC000390557812 488166334 /nfs/dbraw/zinc/16/63/34/488166334.db2.gz QZSXRSMEQWAWBH-BDAKNGLRSA-N 2 0 213.325 0.452 20 0 BCADRP CC(C)(C[NH3+])Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000404617847 488172520 /nfs/dbraw/zinc/17/25/20/488172520.db2.gz JLHOBHQJWGBRSL-SNVBAGLBSA-N 2 0 237.351 0.730 20 0 BCADRP CC(=O)NCC[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000400966697 488178437 /nfs/dbraw/zinc/17/84/37/488178437.db2.gz HXCZVXRQOBGJIU-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP Cc1ncc(CN2CC[C@@H](n3cncn3)C2)n1C ZINC000668007727 488183088 /nfs/dbraw/zinc/18/30/88/488183088.db2.gz CLKSVYREUCXCCA-LLVKDONJSA-N 2 0 246.318 0.767 20 0 BCADRP Cc1ncc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)n1C ZINC000668012165 488184547 /nfs/dbraw/zinc/18/45/47/488184547.db2.gz UMQVWOFARKCNBW-JOYOIKCWSA-N 2 0 223.320 0.931 20 0 BCADRP C[NH2+]CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322409958 488185267 /nfs/dbraw/zinc/18/52/67/488185267.db2.gz YOUJNPSXOHJZSN-YOGCLGLASA-N 2 0 239.363 0.727 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659609731 488188417 /nfs/dbraw/zinc/18/84/17/488188417.db2.gz LDGYRRLVVPXSAV-WDEREUQCSA-N 2 0 242.367 0.378 20 0 BCADRP CO[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CC[C@@H]1C ZINC000299903446 488193971 /nfs/dbraw/zinc/19/39/71/488193971.db2.gz DTNMGZYMBZRQCI-SDDRHHMPSA-N 2 0 212.337 0.953 20 0 BCADRP C[N@H+](CCNC(=O)CC1([NH3+])CC1)C1CC1 ZINC000398054938 488199524 /nfs/dbraw/zinc/19/95/24/488199524.db2.gz DEQDVERNGSGVHU-UHFFFAOYSA-N 2 0 211.309 0.078 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000398063042 488206254 /nfs/dbraw/zinc/20/62/54/488206254.db2.gz CJYLTOLQWUMKBB-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000398074740 488206994 /nfs/dbraw/zinc/20/69/94/488206994.db2.gz BCVHHUDZEBHCAG-JTQLQIEISA-N 2 0 225.336 0.420 20 0 BCADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000683691611 488207929 /nfs/dbraw/zinc/20/79/29/488207929.db2.gz FSKMZWAPCSUGLD-SNVBAGLBSA-N 2 0 240.351 0.947 20 0 BCADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CNCCO2)CC1 ZINC000043802885 488210151 /nfs/dbraw/zinc/21/01/51/488210151.db2.gz PCKQDYVFEHTAOO-ZDUSSCGKSA-N 2 0 241.379 0.248 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)CC1([NH3+])CC1 ZINC000398096502 488210354 /nfs/dbraw/zinc/21/03/54/488210354.db2.gz QJTJCJKASNIKLY-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP C[C@H](NC(=O)CC1([NH3+])CC1)C1CC[NH+](C)CC1 ZINC000398118668 488211377 /nfs/dbraw/zinc/21/13/77/488211377.db2.gz AFEZRMSRKWNTRP-JTQLQIEISA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000085975901 488221666 /nfs/dbraw/zinc/22/16/66/488221666.db2.gz PMPXRURBOLOECU-AXFHLTTASA-N 2 0 225.336 0.419 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000085975844 488221945 /nfs/dbraw/zinc/22/19/45/488221945.db2.gz FCVLIPUEYHCYAS-OUAUKWLOSA-N 2 0 225.336 0.419 20 0 BCADRP [NH3+]CC1(O)CC[NH+](CCC2CCC2)CC1 ZINC000398943655 488225194 /nfs/dbraw/zinc/22/51/94/488225194.db2.gz XGZFRZGPLCUENU-UHFFFAOYSA-N 2 0 212.337 0.962 20 0 BCADRP CCN(CCO)CC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000684395032 488305059 /nfs/dbraw/zinc/30/50/59/488305059.db2.gz QKPGWAULEZASEG-CHWSQXEVSA-N 2 0 244.379 0.848 20 0 BCADRP CCC[NH+]1CCC([NH2+]CCCC(=O)NC)CC1 ZINC000068817971 490131624 /nfs/dbraw/zinc/13/16/24/490131624.db2.gz JECBOYLYXVHOAD-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000652350131 490190510 /nfs/dbraw/zinc/19/05/10/490190510.db2.gz HOGPFDXNGRNFOJ-AGIUHOORSA-N 3 0 223.364 0.657 20 0 BCADRP CN(C(=O)CCC(C)(C)[NH3+])[C@@H]1CC[NH2+]C1 ZINC000381471373 490191870 /nfs/dbraw/zinc/19/18/70/490191870.db2.gz ORRKKFUBBOTOPU-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000575780261 490217408 /nfs/dbraw/zinc/21/74/08/490217408.db2.gz IQGRRUOVFTXROV-KWBADKCTSA-N 2 0 239.363 0.476 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000078695457 490218091 /nfs/dbraw/zinc/21/80/91/490218091.db2.gz LXQMPFTVTBNKOA-VHSXEESVSA-N 2 0 225.336 0.289 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H](C)[NH+](C)C ZINC000078741644 490225283 /nfs/dbraw/zinc/22/52/83/490225283.db2.gz IBXDJKARJALXLI-UWVGGRQHSA-N 2 0 215.341 0.393 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000653232634 490393601 /nfs/dbraw/zinc/39/36/01/490393601.db2.gz GLRSQOVRLCPKJW-IVZWLZJFSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCCCCC1 ZINC000126354372 490491723 /nfs/dbraw/zinc/49/17/23/490491723.db2.gz HFSXAIFPNUDEKD-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000131716826 490535886 /nfs/dbraw/zinc/53/58/86/490535886.db2.gz IFOBWKGUYVRDHZ-LLVKDONJSA-N 2 0 227.352 0.633 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000222672431 490652787 /nfs/dbraw/zinc/65/27/87/490652787.db2.gz SBKLSHBXDRZFQL-WDEREUQCSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[NH3+] ZINC000261544539 491088928 /nfs/dbraw/zinc/08/89/28/491088928.db2.gz IZMCIKSAGALAGM-GFCCVEGCSA-N 2 0 249.358 0.972 20 0 BCADRP C[C@@H](NC(=O)C[C@H](C)[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000309367104 491093852 /nfs/dbraw/zinc/09/38/52/491093852.db2.gz BJZUKVYWABBQGW-IVZWLZJFSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]CCCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662394256 491099004 /nfs/dbraw/zinc/09/90/04/491099004.db2.gz RKGJUTNUHJAQOV-UHFFFAOYSA-N 2 0 219.288 0.368 20 0 BCADRP CN(C)C(=O)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660652327 491103451 /nfs/dbraw/zinc/10/34/51/491103451.db2.gz IREDNRJRVAXPJD-ZDUSSCGKSA-N 2 0 239.363 0.492 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000662605019 491107098 /nfs/dbraw/zinc/10/70/98/491107098.db2.gz JPLGNTGMFADKGF-LBPRGKRZSA-N 2 0 249.358 0.752 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCCC1(C[NH3+])CC1 ZINC000653215741 491128430 /nfs/dbraw/zinc/12/84/30/491128430.db2.gz YUHARZLYVZGOJH-UHFFFAOYSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)CO1 ZINC000401847774 491129120 /nfs/dbraw/zinc/12/91/20/491129120.db2.gz VDZCQVVTUKCUGU-QWRGUYRKSA-N 2 0 216.325 0.332 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)CO1 ZINC000401847775 491129127 /nfs/dbraw/zinc/12/91/27/491129127.db2.gz VDZCQVVTUKCUGU-WDEREUQCSA-N 2 0 216.325 0.332 20 0 BCADRP C[C@@H]([NH2+]C[C@@]1(O)CCOC1)C1CC[NH+](C)CC1 ZINC000090849909 491129862 /nfs/dbraw/zinc/12/98/62/491129862.db2.gz AFADXRHYAUWIJG-YPMHNXCESA-N 2 0 242.363 0.458 20 0 BCADRP COC(C)(C)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000230413855 491130015 /nfs/dbraw/zinc/13/00/15/491130015.db2.gz GWRLKMFSOJKJHF-PHIMTYICSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N(C)C)CC[N@@H+]1C ZINC000132209444 491134770 /nfs/dbraw/zinc/13/47/70/491134770.db2.gz MYAGVJIDDSEIBY-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CC(C)(C)CO ZINC000308686553 491137747 /nfs/dbraw/zinc/13/77/47/491137747.db2.gz ZSUMOJDQSNVIRH-UWVGGRQHSA-N 2 0 200.326 0.545 20 0 BCADRP C[C@H](CNc1cc[nH+]cc1C(N)=O)[NH+](C)C ZINC000309589731 491151806 /nfs/dbraw/zinc/15/18/06/491151806.db2.gz UKQKJRZADMLDFA-MRVPVSSYSA-N 2 0 222.292 0.543 20 0 BCADRP COC(=O)N1CC([NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000496434278 533931949 /nfs/dbraw/zinc/93/19/49/533931949.db2.gz DYUIJXNOOLQIJD-YUMQZZPRSA-N 2 0 215.297 0.152 20 0 BCADRP COC(=O)N1CC([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000496893459 533932678 /nfs/dbraw/zinc/93/26/78/533932678.db2.gz NJRPVGLYZFCSKL-MWLCHTKSSA-N 2 0 241.335 0.415 20 0 BCADRP COC(=O)N1CC([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000496434276 533933223 /nfs/dbraw/zinc/93/32/23/533933223.db2.gz DYUIJXNOOLQIJD-SFYZADRCSA-N 2 0 215.297 0.152 20 0 BCADRP CC[C@@H](COC)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151874784 535761197 /nfs/dbraw/zinc/76/11/97/535761197.db2.gz OGLBOBLYUOKHFX-ZDUSSCGKSA-N 2 0 244.379 0.705 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)NC1CC[NH2+]CC1 ZINC000891962167 582748485 /nfs/dbraw/zinc/74/84/85/582748485.db2.gz PACNCAXZEZMJPI-NSHDSACASA-N 2 0 240.351 0.261 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000891978744 582751712 /nfs/dbraw/zinc/75/17/12/582751712.db2.gz FVYFQHSKKVDRFA-MXWKQRLJSA-N 2 0 240.351 0.023 20 0 BCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NCC[NH3+])C1 ZINC000891975630 582751719 /nfs/dbraw/zinc/75/17/19/582751719.db2.gz DIPGLGISGHAQEW-LBPRGKRZSA-N 2 0 242.367 0.352 20 0 BCADRP C[NH2+]CCNC(=O)N1CC[NH2+]CCC12CCC2 ZINC000891994267 582756163 /nfs/dbraw/zinc/75/61/63/582756163.db2.gz QWXNKHOAWFWKFG-UHFFFAOYSA-N 2 0 240.351 0.133 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC1CCC([NH3+])CC1 ZINC000892023403 582764627 /nfs/dbraw/zinc/76/46/27/582764627.db2.gz WUMIWOJDSQNCOB-BZCXBAJXSA-N 2 0 240.351 0.387 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892023616 582764619 /nfs/dbraw/zinc/76/46/19/582764619.db2.gz YLQNNLCZIXVDFW-ZJUUUORDSA-N 2 0 228.340 0.102 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000892044645 582770920 /nfs/dbraw/zinc/77/09/20/582770920.db2.gz LRMSHZGEBGJAQU-QWRGUYRKSA-N 2 0 242.367 0.494 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)NC1(C[NH3+])CCCCC1 ZINC000892055217 582777897 /nfs/dbraw/zinc/77/78/97/582777897.db2.gz IHGAGXYOSULDII-SNVBAGLBSA-N 2 0 242.367 0.685 20 0 BCADRP C[C@H](C[NH3+])NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892061311 582780098 /nfs/dbraw/zinc/78/00/98/582780098.db2.gz GCBPVXBTEJDNBL-CHWFTXMASA-N 2 0 240.351 0.163 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892091242 582788702 /nfs/dbraw/zinc/78/87/02/582788702.db2.gz DHOGGEMRKGTRCC-ZNSHCXBVSA-N 2 0 240.351 0.021 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC000892097725 582790803 /nfs/dbraw/zinc/79/08/03/582790803.db2.gz QJYKUPWJXQOYNC-GMTAPVOTSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@@H](NC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)[C@H](C)[NH3+] ZINC000892144219 582800576 /nfs/dbraw/zinc/80/05/76/582800576.db2.gz SSFCJQOLXYYZFG-VLEAKVRGSA-N 2 0 242.367 0.539 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000892175618 582805303 /nfs/dbraw/zinc/80/53/03/582805303.db2.gz MLUSRVASMYHOJJ-HBNTYKKESA-N 2 0 240.351 0.247 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[NH2+]1 ZINC000892289090 582828753 /nfs/dbraw/zinc/82/87/53/582828753.db2.gz BAGRIEJUUIIBCC-UKKRHICBSA-N 2 0 240.351 0.163 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000261666711 536399111 /nfs/dbraw/zinc/39/91/11/536399111.db2.gz GJZPYXQKYIFHDT-WYUUTHIRSA-N 2 0 239.363 0.631 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000347654724 534901063 /nfs/dbraw/zinc/90/10/63/534901063.db2.gz MHGYICLONDAWNK-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000262515492 534903619 /nfs/dbraw/zinc/90/36/19/534903619.db2.gz RMFHSQFVUOTJPI-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP COCCOCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261560190 536499909 /nfs/dbraw/zinc/49/99/09/536499909.db2.gz UJGPMQRQBHGKHC-UHFFFAOYSA-N 2 0 242.363 0.725 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892548715 582910531 /nfs/dbraw/zinc/91/05/31/582910531.db2.gz HUYXMMFONHYFDH-AOOOYVTPSA-N 2 0 242.367 0.350 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000493823204 527804600 /nfs/dbraw/zinc/80/46/00/527804600.db2.gz RPDJEKMHSSKGMP-OUAUKWLOSA-N 2 0 227.352 0.570 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000494900324 527817785 /nfs/dbraw/zinc/81/77/85/527817785.db2.gz JBDXAQLFIDTMLL-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP COCCOCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000217806601 536516421 /nfs/dbraw/zinc/51/64/21/536516421.db2.gz DPXLNJSONYAWPQ-RWMBFGLXSA-N 2 0 244.379 0.968 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000494709767 528497944 /nfs/dbraw/zinc/49/79/44/528497944.db2.gz OOJADTDXJXTTOW-WHOHXGKFSA-N 2 0 239.363 0.556 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000494671855 528497969 /nfs/dbraw/zinc/49/79/69/528497969.db2.gz JONJNPLTGVWDFN-IJLUTSLNSA-N 2 0 241.379 0.851 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000494699594 528499742 /nfs/dbraw/zinc/49/97/42/528499742.db2.gz QJVWSSFZILVPQR-MVWJERBFSA-N 2 0 239.363 0.569 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000495169895 528552800 /nfs/dbraw/zinc/55/28/00/528552800.db2.gz VDQUTBGITCOURL-QWRGUYRKSA-N 2 0 229.368 0.994 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000062073622 528992092 /nfs/dbraw/zinc/99/20/92/528992092.db2.gz IIBXEKYVUTXXEN-LBPRGKRZSA-N 2 0 241.379 0.819 20 0 BCADRP CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000496878524 529022414 /nfs/dbraw/zinc/02/24/14/529022414.db2.gz ZJBOAIDGZDWCPW-VWYCJHECSA-N 2 0 243.351 0.933 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)/C=C/C[NH+](C)C ZINC000493639549 529285229 /nfs/dbraw/zinc/28/52/29/529285229.db2.gz DMLDZJFGDDUBOP-SYTKJHMZSA-N 2 0 239.363 0.657 20 0 BCADRP CC[C@H](CCO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400362175 529332270 /nfs/dbraw/zinc/33/22/70/529332270.db2.gz CKVZXLDUCRGGOK-HBNTYKKESA-N 2 0 200.326 0.878 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335646120 534985484 /nfs/dbraw/zinc/98/54/84/534985484.db2.gz LSZIBYSBAZSGTG-LLVKDONJSA-N 3 0 211.353 0.716 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000262842035 534999378 /nfs/dbraw/zinc/99/93/78/534999378.db2.gz JAWKHVDMRDSCLH-MNOVXSKESA-N 2 0 227.352 0.583 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342714049 535050282 /nfs/dbraw/zinc/05/02/82/535050282.db2.gz OOJADTDXJXTTOW-BJDJZHNGSA-N 2 0 239.363 0.556 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262459733 535057319 /nfs/dbraw/zinc/05/73/19/535057319.db2.gz VMYPYLRDGVJMSS-RYUDHWBXSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000168720179 535135477 /nfs/dbraw/zinc/13/54/77/535135477.db2.gz WUWCFGRNKAKNTE-LLVKDONJSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000262590176 535136129 /nfs/dbraw/zinc/13/61/29/535136129.db2.gz QUAMEKJSVMJLFZ-RYUDHWBXSA-N 2 0 241.379 0.688 20 0 BCADRP CC(C)([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262674829 535195286 /nfs/dbraw/zinc/19/52/86/535195286.db2.gz RDVMESVNNBLHAG-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP CCCN(C(=O)C1C[NH2+]C1)C1CC[NH2+]CC1 ZINC000262288373 535198405 /nfs/dbraw/zinc/19/84/05/535198405.db2.gz XFGZTACHBNQDTG-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)([NH3+])CNC(=O)C12CCC[NH+]1CCC2 ZINC000335145933 535201047 /nfs/dbraw/zinc/20/10/47/535201047.db2.gz KRIIPBSNAOWRGL-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000334490076 535290071 /nfs/dbraw/zinc/29/00/71/535290071.db2.gz DOPSNHMLKPDMGF-NEPJUHHUSA-N 2 0 239.363 0.489 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CCC[NH3+] ZINC000261569669 535295826 /nfs/dbraw/zinc/29/58/26/535295826.db2.gz GJSNKYMNAVHROU-NSHDSACASA-N 2 0 215.341 0.605 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@H]1CCC[NH2+]1 ZINC000158288660 535307368 /nfs/dbraw/zinc/30/73/68/535307368.db2.gz VIFCLEIZCHUCIU-ZYHUDNBSSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000342753253 535307414 /nfs/dbraw/zinc/30/74/14/535307414.db2.gz PVGYDPKCOVBTQN-DMDPSCGWSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CC[C@@H](C)[NH3+] ZINC000262721036 535330943 /nfs/dbraw/zinc/33/09/43/535330943.db2.gz FSMMXBNQJLHTAW-ZYHUDNBSSA-N 2 0 229.368 0.994 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)C[NH2+]CC1CC1 ZINC000157465844 535331262 /nfs/dbraw/zinc/33/12/62/535331262.db2.gz DEHUKWDRMXQRJU-CYBMUJFWSA-N 2 0 241.379 0.866 20 0 BCADRP CCC[NH+]1CCC(CNC(=O)C[C@@H](C)[NH3+])CC1 ZINC000261919845 535351968 /nfs/dbraw/zinc/35/19/68/535351968.db2.gz YQGYPETUBQEUAW-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH+]1CCC(CCNC(=O)C(C)(C)[NH3+])CC1 ZINC000168711106 535445491 /nfs/dbraw/zinc/44/54/91/535445491.db2.gz MPECQGFLGGHWNY-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH+]1CCC([NH2+]CCOCC[NH+](C)C)CC1 ZINC000219303165 535474434 /nfs/dbraw/zinc/47/44/34/535474434.db2.gz ROTQZSJXSXBZAU-UHFFFAOYSA-N 3 0 243.395 0.639 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351826834 535491731 /nfs/dbraw/zinc/49/17/31/535491731.db2.gz JTZMQSOXTLGJMM-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262824257 535493616 /nfs/dbraw/zinc/49/36/16/535493616.db2.gz PVESDRCXECQJCX-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000335305551 535515175 /nfs/dbraw/zinc/51/51/75/535515175.db2.gz QMOXPOXRGSEDRX-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164479439 535588186 /nfs/dbraw/zinc/58/81/86/535588186.db2.gz FYYWDUIURYEGGR-QWRGUYRKSA-N 2 0 241.379 0.688 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C[C@H](C)[NH3+])C1 ZINC000261921515 535594768 /nfs/dbraw/zinc/59/47/68/535594768.db2.gz XRTJMSDCRSMRDL-NWDGAFQWSA-N 2 0 241.379 0.914 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261535889 535649974 /nfs/dbraw/zinc/64/99/74/535649974.db2.gz POFBENCOGWPCPX-NSHDSACASA-N 2 0 214.309 0.610 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226403283 535679385 /nfs/dbraw/zinc/67/93/85/535679385.db2.gz BFDMCUGFKJVUTR-DCAQKATOSA-N 2 0 227.352 0.713 20 0 BCADRP CC[N@H+](C)CCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000352165562 535751295 /nfs/dbraw/zinc/75/12/95/535751295.db2.gz HALRQNZNAIJMLA-JTQLQIEISA-N 2 0 230.356 0.187 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000261534198 535847800 /nfs/dbraw/zinc/84/78/00/535847800.db2.gz OQQQKSNVYKXHSN-HBNTYKKESA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@@H]1CO[C@H](C)C[N@@H+]1CCOCC[NH3+] ZINC000086435477 535851168 /nfs/dbraw/zinc/85/11/68/535851168.db2.gz SQCBPYFKOICROT-GHMZBOCLSA-N 2 0 216.325 0.461 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CCC[NH2+]1 ZINC000262991265 535881884 /nfs/dbraw/zinc/88/18/84/535881884.db2.gz ZXJISDRWTKDEIA-DMDPSCGWSA-N 2 0 239.363 0.775 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262072809 535943726 /nfs/dbraw/zinc/94/37/26/535943726.db2.gz SEZNIXLYYVDQGF-QWHCGFSZSA-N 2 0 225.380 0.870 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262072816 535943839 /nfs/dbraw/zinc/94/38/39/535943839.db2.gz SEZNIXLYYVDQGF-STQMWFEESA-N 2 0 225.380 0.870 20 0 BCADRP CN(C(=O)C[C@@H]1CSCC[NH2+]1)C1CC([NH3+])C1 ZINC000336212445 536003684 /nfs/dbraw/zinc/00/36/84/536003684.db2.gz XIBHDYATEBRAPW-HWOCKDDLSA-N 2 0 243.376 0.030 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000261546024 536138903 /nfs/dbraw/zinc/13/89/03/536138903.db2.gz KOROXIAVZOAAGT-KXUCPTDWSA-N 2 0 213.325 0.452 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000190743344 536139321 /nfs/dbraw/zinc/13/93/21/536139321.db2.gz SRRXUKCOCCIZDL-KOLCDFICSA-N 2 0 225.336 0.467 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H](O)C[C@H]1CO ZINC000352020087 536354520 /nfs/dbraw/zinc/35/45/20/536354520.db2.gz GZLCGEHZIFITKI-FRRDWIJNSA-N 2 0 242.363 0.288 20 0 BCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C3([NH3+])CC3)CC[C@@H]21 ZINC000167521504 536376612 /nfs/dbraw/zinc/37/66/12/536376612.db2.gz UBZGJGYVHUHOCN-MNOVXSKESA-N 2 0 237.347 0.420 20 0 BCADRP CN1CC[C@@H]([NH+]2CCC3(CC[NH2+]C3)CC2)C1=O ZINC000335396425 536451226 /nfs/dbraw/zinc/45/12/26/536451226.db2.gz PTOARCFLOAASKD-LLVKDONJSA-N 2 0 237.347 0.293 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000262616958 536462871 /nfs/dbraw/zinc/46/28/71/536462871.db2.gz HRNWKSARQYENOT-DCAQKATOSA-N 2 0 227.352 0.476 20 0 BCADRP CN1CC[C@H]([N@@H+]2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000227071891 536478483 /nfs/dbraw/zinc/47/84/83/536478483.db2.gz SBCSBPHSZMJWIF-QWRGUYRKSA-N 2 0 225.336 0.278 20 0 BCADRP c1c([C@@H]2CCCC[NH2+]2)nnn1C[C@H]1CCC[NH2+]1 ZINC000725263159 538089542 /nfs/dbraw/zinc/08/95/42/538089542.db2.gz RTGLOSSLYGTUJM-MNOVXSKESA-N 2 0 235.335 0.845 20 0 BCADRP CC[C@@H](C)NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000111612019 566295024 /nfs/dbraw/zinc/29/50/24/566295024.db2.gz QMHJKGCSIZFWLQ-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000092955079 566301811 /nfs/dbraw/zinc/30/18/11/566301811.db2.gz TUSVDVPRONYMLT-ZYHUDNBSSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NC1(C)CC[NH2+]CC1 ZINC000892849544 582996198 /nfs/dbraw/zinc/99/61/98/582996198.db2.gz ADBSVEFDQFMQOH-UHFFFAOYSA-N 2 0 242.367 0.555 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000892850891 582996355 /nfs/dbraw/zinc/99/63/55/582996355.db2.gz NXFRYTOWDWEHTQ-SECBINFHSA-N 2 0 228.340 0.247 20 0 BCADRP C[C@H](CCCCO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000398358496 583128361 /nfs/dbraw/zinc/12/83/61/583128361.db2.gz CLILZYSLBDOBNV-CHWSQXEVSA-N 2 0 244.379 0.584 20 0 BCADRP C(N1CC[C@]2(CCC[NH2+]2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000853246483 588728427 /nfs/dbraw/zinc/72/84/27/588728427.db2.gz LMTDBPMMIMNVHY-FRRDWIJNSA-N 2 0 221.348 0.424 20 0 BCADRP FC(F)[C@@H]1C[NH2+]CCN1C[C@]12C[C@H]1C[NH2+]C2 ZINC000853246573 588728560 /nfs/dbraw/zinc/72/85/60/588728560.db2.gz MXHXAWVUYUFWNJ-ATZCPNFKSA-N 2 0 231.290 0.135 20 0 BCADRP FC(F)[C@@H]1C[NH2+]CCN1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000853246576 588728590 /nfs/dbraw/zinc/72/85/90/588728590.db2.gz MXHXAWVUYUFWNJ-YWVKMMECSA-N 2 0 231.290 0.135 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000853246038 588728608 /nfs/dbraw/zinc/72/86/08/588728608.db2.gz QTFIQHRYQVMLHB-TUAOUCFPSA-N 2 0 209.337 0.267 20 0 BCADRP C([N@@H+]1CCC2(C1)CC[NH2+]CC2)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000853246747 588728666 /nfs/dbraw/zinc/72/86/66/588728666.db2.gz RSNLOVOIQHIESG-OCCSQVGLSA-N 3 0 235.375 0.671 20 0 BCADRP COC(=O)N(C)CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000854226548 588780485 /nfs/dbraw/zinc/78/04/85/588780485.db2.gz HICBHKHNJPTOAI-BDAKNGLRSA-N 2 0 217.313 0.400 20 0 BCADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CC[C@H]2C2CC2)n1 ZINC000854232101 588781220 /nfs/dbraw/zinc/78/12/20/588781220.db2.gz LMEAAZUCEMXGBD-WDEREUQCSA-N 2 0 248.330 0.919 20 0 BCADRP CCNC(=[NH2+])NCC1([NH+](C)C)CCCC1 ZINC000112800655 588817386 /nfs/dbraw/zinc/81/73/86/588817386.db2.gz CAHFMGFGAGFBIL-UHFFFAOYSA-N 2 0 212.341 0.995 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NOCC[NH+](C)C)CC[N@@H+]1C ZINC000854945564 588817857 /nfs/dbraw/zinc/81/78/57/588817857.db2.gz SXSQXLLHOOVYIH-QWRGUYRKSA-N 2 0 243.351 0.326 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000891403217 582678475 /nfs/dbraw/zinc/67/84/75/582678475.db2.gz KEHSIRDJHFPOOX-GMTAPVOTSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC[N@H+](C)C1CC1 ZINC000891545050 582695886 /nfs/dbraw/zinc/69/58/86/582695886.db2.gz HQHNVAOXJCKVPF-NXEZZACHSA-N 2 0 240.351 0.212 20 0 BCADRP CC[NH2+]CCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000891966162 582749233 /nfs/dbraw/zinc/74/92/33/582749233.db2.gz JMEAGVYCENSIHO-SNVBAGLBSA-N 2 0 228.340 0.119 20 0 BCADRP Nc1cc[nH+]c(CNC(=O)NCC[NH2+]C2CC2)c1 ZINC000891984626 582752862 /nfs/dbraw/zinc/75/28/62/582752862.db2.gz CAANAZKHUAGDKW-UHFFFAOYSA-N 2 0 249.318 0.215 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891986749 582753087 /nfs/dbraw/zinc/75/30/87/582753087.db2.gz MDSCYBJGHMROQF-GHMZBOCLSA-N 2 0 242.367 0.506 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C(=O)NCCC[NH3+] ZINC000891985861 582753724 /nfs/dbraw/zinc/75/37/24/582753724.db2.gz AGDHENGZEXUZNV-SNVBAGLBSA-N 2 0 228.340 0.119 20 0 BCADRP C[NH2+]CCNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000891993475 582757054 /nfs/dbraw/zinc/75/70/54/582757054.db2.gz WVIPVJQZXASWMZ-JTQLQIEISA-N 2 0 242.367 0.283 20 0 BCADRP Nc1cc[nH+]c(CNC(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000892000775 582758188 /nfs/dbraw/zinc/75/81/88/582758188.db2.gz TXMHVSJFVGKTCS-JTQLQIEISA-N 2 0 249.318 0.215 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000891998406 582758305 /nfs/dbraw/zinc/75/83/05/582758305.db2.gz FEWKNQJTIGTFIT-GMTAPVOTSA-N 2 0 240.351 0.117 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000892002277 582758830 /nfs/dbraw/zinc/75/88/30/582758830.db2.gz NINPHVHXXBHFJR-GHMZBOCLSA-N 2 0 240.351 0.261 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000892005925 582759479 /nfs/dbraw/zinc/75/94/79/582759479.db2.gz RHQCNVJHJWNDMA-GHMZBOCLSA-N 2 0 240.351 0.119 20 0 BCADRP CCC1([NH3+])CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000892006586 582760363 /nfs/dbraw/zinc/76/03/63/582760363.db2.gz JHJZTLLHCPTROK-SNVBAGLBSA-N 2 0 240.351 0.261 20 0 BCADRP CCN(C(=O)NC[C@H]([NH3+])C(C)C)[C@@H]1CC[NH2+]C1 ZINC000892021922 582763774 /nfs/dbraw/zinc/76/37/74/582763774.db2.gz NWJYNTXMTLQVRB-MNOVXSKESA-N 2 0 242.367 0.363 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000892029323 582766058 /nfs/dbraw/zinc/76/60/58/582766058.db2.gz USRPJXCADUPAKP-SECBINFHSA-N 2 0 228.340 0.150 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000892029325 582766435 /nfs/dbraw/zinc/76/64/35/582766435.db2.gz USRPJXCADUPAKP-VIFPVBQESA-N 2 0 228.340 0.150 20 0 BCADRP CCN(C(=O)NCC(C)(C)[NH3+])[C@H]1CC[NH2+]C1 ZINC000892034833 582766795 /nfs/dbraw/zinc/76/67/95/582766795.db2.gz VMLSIMYLUMUYOB-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP CC(C)([NH3+])CNC(=O)NC1(C[NH3+])CCCCC1 ZINC000892033792 582767573 /nfs/dbraw/zinc/76/75/73/582767573.db2.gz HWRIQENFEUFJPK-UHFFFAOYSA-N 2 0 242.367 0.685 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)NCCC(C)(C)[NH3+] ZINC000892036680 582769085 /nfs/dbraw/zinc/76/90/85/582769085.db2.gz MYTKHUXPSHRKEF-SNVBAGLBSA-N 2 0 244.383 0.786 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892037786 582770075 /nfs/dbraw/zinc/77/00/75/582770075.db2.gz LZMHYKDEKQTTPH-DCAQKATOSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)NC1(C[NH3+])CCCCC1 ZINC000892045945 582771800 /nfs/dbraw/zinc/77/18/00/582771800.db2.gz XFQWLQILKASCBE-JTQLQIEISA-N 2 0 242.367 0.542 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892057246 582776963 /nfs/dbraw/zinc/77/69/63/582776963.db2.gz XAIAPDILNXFAHW-VWYCJHECSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC1=CC[NH2+]CC1 ZINC000892066385 582783263 /nfs/dbraw/zinc/78/32/63/582783263.db2.gz HAAXBQKHSHYJCY-KOLCDFICSA-N 2 0 238.335 0.037 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC1=CC[NH2+]CC1 ZINC000892066384 582783564 /nfs/dbraw/zinc/78/35/64/582783564.db2.gz HAAXBQKHSHYJCY-GXSJLCMTSA-N 2 0 238.335 0.037 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892078048 582786526 /nfs/dbraw/zinc/78/65/26/582786526.db2.gz MXIITSVYEQVZPG-DBIOUOCHSA-N 2 0 240.351 0.021 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000892083239 582788182 /nfs/dbraw/zinc/78/81/82/582788182.db2.gz SEMKWNITUORVFE-DCAQKATOSA-N 2 0 240.351 0.165 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000892090655 582788927 /nfs/dbraw/zinc/78/89/27/582788927.db2.gz XNKQKYZPLVRTCC-GWOFURMSSA-N 2 0 240.351 0.293 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892090141 582788950 /nfs/dbraw/zinc/78/89/50/582788950.db2.gz DPNJCGCJFAPJHH-GMTAPVOTSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000892095870 582789900 /nfs/dbraw/zinc/78/99/00/582789900.db2.gz YWSNUSYBPVUNHT-YTWAJWBKSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@H]1C[C@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[NH2+]1 ZINC000892098126 582790384 /nfs/dbraw/zinc/79/03/84/582790384.db2.gz XRRPLEDLQJCDLE-XWLWVQCSSA-N 2 0 240.351 0.163 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)NCCC(C)(C)[NH3+])CC[NH2+]1 ZINC000892097267 582790458 /nfs/dbraw/zinc/79/04/58/582790458.db2.gz MPFNEZTVNRNRIT-NXEZZACHSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892101087 582791239 /nfs/dbraw/zinc/79/12/39/582791239.db2.gz BRBDXVHYOMWJHM-ZJUUUORDSA-N 2 0 242.367 0.411 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C(=O)NC/C=C/C[NH3+] ZINC000892123148 582795962 /nfs/dbraw/zinc/79/59/62/582795962.db2.gz YWDIOGGXSHLVLF-PGLGOXFNSA-N 2 0 240.351 0.285 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000892136556 582797942 /nfs/dbraw/zinc/79/79/42/582797942.db2.gz YEHYXWJQYSUBAU-VWYCJHECSA-N 2 0 242.367 0.635 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892139442 582798468 /nfs/dbraw/zinc/79/84/68/582798468.db2.gz CEJLMSAOIPOQRS-VHSXEESVSA-N 2 0 228.340 0.247 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892139650 582798800 /nfs/dbraw/zinc/79/88/00/582798800.db2.gz RVMIIAZELGTUON-GARJFASQSA-N 2 0 240.351 0.260 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892148333 582801782 /nfs/dbraw/zinc/80/17/82/582801782.db2.gz XTCIHSZQPALQTP-NHCYSSNCSA-N 2 0 240.351 0.308 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000892148331 582801909 /nfs/dbraw/zinc/80/19/09/582801909.db2.gz XTCIHSZQPALQTP-HOSYDEDBSA-N 2 0 240.351 0.308 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000892148332 582801973 /nfs/dbraw/zinc/80/19/73/582801973.db2.gz XTCIHSZQPALQTP-JBLDHEPKSA-N 2 0 240.351 0.308 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892200015 582807437 /nfs/dbraw/zinc/80/74/37/582807437.db2.gz OYKMSEZYPGLWPF-AATLWQCWSA-N 2 0 228.340 0.149 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC1([NH3+])CCCC1 ZINC000892249220 582813390 /nfs/dbraw/zinc/81/33/90/582813390.db2.gz NWEOIMGXYOWQOC-VHSXEESVSA-N 2 0 240.351 0.389 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000892282147 582826852 /nfs/dbraw/zinc/82/68/52/582826852.db2.gz YBYDZPXKXBIFDQ-XWLWVQCSSA-N 2 0 240.351 0.258 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CC[NH2+]CC2)CC1 ZINC000892435948 582886935 /nfs/dbraw/zinc/88/69/35/582886935.db2.gz HNZAJLJTWMIJIM-XYPYZODXSA-N 2 0 240.351 0.119 20 0 BCADRP CN(CC[NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892435538 582887002 /nfs/dbraw/zinc/88/70/02/582887002.db2.gz ZXYXEUYGOJSDLP-MGCOHNPYSA-N 2 0 228.340 0.104 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000132798536 582896713 /nfs/dbraw/zinc/89/67/13/582896713.db2.gz WBESDVOXNTWAJQ-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP COCCOC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000892947185 583016413 /nfs/dbraw/zinc/01/64/13/583016413.db2.gz YPKYNHDQLQWCRW-STQMWFEESA-N 2 0 244.379 0.969 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000852794450 583016843 /nfs/dbraw/zinc/01/68/43/583016843.db2.gz PBAGJPMCBAXTHP-WDEREUQCSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]CCN(C)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000852826552 583018389 /nfs/dbraw/zinc/01/83/89/583018389.db2.gz MWYVFDXTYDAVNN-ZDUSSCGKSA-N 2 0 247.342 0.899 20 0 BCADRP C[NH+](C)C1(CNc2cc[nH+]cc2CO)CCC1 ZINC000893378744 583132955 /nfs/dbraw/zinc/13/29/55/583132955.db2.gz DOZQXLIATOXBGG-UHFFFAOYSA-N 2 0 235.331 0.892 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000857104316 588887264 /nfs/dbraw/zinc/88/72/64/588887264.db2.gz SAKLCPILZGIKOE-GUBZILKMSA-N 2 0 228.340 0.293 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000857103978 588887727 /nfs/dbraw/zinc/88/77/27/588887727.db2.gz HNWDTZIUFWGZFL-GARJFASQSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000857107074 588888202 /nfs/dbraw/zinc/88/82/02/588888202.db2.gz KBGVJVUDQSPCRB-LPEHRKFASA-N 2 0 228.340 0.116 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000857107493 588888636 /nfs/dbraw/zinc/88/86/36/588888636.db2.gz WUXLRKOSVLVYJE-CMPLNLGQSA-N 2 0 240.351 0.119 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CCC(C[NH3+])CC1 ZINC000857107579 588888642 /nfs/dbraw/zinc/88/86/42/588888642.db2.gz ZWLNWUJXDICQSJ-VIFPVBQESA-N 2 0 228.340 0.104 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877188124 583302725 /nfs/dbraw/zinc/30/27/25/583302725.db2.gz POJWSROMGKIHAL-MSLYCWSTSA-N 2 0 237.347 0.467 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000877250396 583305048 /nfs/dbraw/zinc/30/50/48/583305048.db2.gz PNHQDZOKQAUEJF-WYUUTHIRSA-N 2 0 237.347 0.276 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000877272991 583306711 /nfs/dbraw/zinc/30/67/11/583306711.db2.gz BOIXZTDGJNAGFE-XWLWVQCSSA-N 2 0 223.320 0.077 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000877272988 583306811 /nfs/dbraw/zinc/30/68/11/583306811.db2.gz BOIXZTDGJNAGFE-LMLFDSFASA-N 2 0 223.320 0.077 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C2CC2)[C@H](C)C[NH2+]1 ZINC000841849381 583367058 /nfs/dbraw/zinc/36/70/58/583367058.db2.gz PWYQUEFCEBSHDQ-FXPVBKGRSA-N 2 0 225.336 0.323 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000841849408 583367105 /nfs/dbraw/zinc/36/71/05/583367105.db2.gz RLRTVCZBIRZRCD-PWSUYJOCSA-N 2 0 243.326 0.289 20 0 BCADRP CC(C)C[C@@H]([NH3+])C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414843241 583413849 /nfs/dbraw/zinc/41/38/49/583413849.db2.gz CAMQUHOWPFCRMK-VXGBXAGGSA-N 3 0 213.369 0.949 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+]Cc1cnc[nH]1 ZINC000894456515 583464089 /nfs/dbraw/zinc/46/40/89/583464089.db2.gz RXNULCFMZOOXLQ-UHFFFAOYSA-N 2 0 240.351 0.858 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417799856 583612681 /nfs/dbraw/zinc/61/26/81/583612681.db2.gz RXIUWCZCXBQLAG-WDEREUQCSA-N 2 0 241.379 0.736 20 0 BCADRP CCn1cncc1C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000895320739 583649567 /nfs/dbraw/zinc/64/95/67/583649567.db2.gz JDQOGQZPBYUBQF-SNVBAGLBSA-N 2 0 236.319 0.517 20 0 BCADRP C[C@@H]1C[C@@H](N[C@H]2C(=O)NCC2(C)C)CC[N@@H+]1C ZINC000895323099 583650038 /nfs/dbraw/zinc/65/00/38/583650038.db2.gz YJIYHSWAVOFPDF-VWYCJHECSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H](CC[NH2+]C1CCN(C=O)CC1)[NH+](C)C ZINC000895427710 583668457 /nfs/dbraw/zinc/66/84/57/583668457.db2.gz DSGLTMQQCAOMHN-NSHDSACASA-N 2 0 227.352 0.537 20 0 BCADRP C[N@@H+]1CC[C@H]1CNc1cc[nH+]cc1CO ZINC000895767246 583720108 /nfs/dbraw/zinc/72/01/08/583720108.db2.gz JHRNRHMEYUEGFZ-JTQLQIEISA-N 2 0 207.277 0.112 20 0 BCADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000895799567 583730705 /nfs/dbraw/zinc/73/07/05/583730705.db2.gz UNVBOWWDJZDVEU-GFCCVEGCSA-N 2 0 248.330 0.126 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000896667628 583821854 /nfs/dbraw/zinc/82/18/54/583821854.db2.gz JOVSNKZHUWBVRA-QJPTWQEYSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000870942604 583931919 /nfs/dbraw/zinc/93/19/19/583931919.db2.gz QPUIOZXFEQZRBZ-JQWIXIFHSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H](NC(=O)CCC12CC(C1)C[NH2+]2)[C@H](C)[NH3+] ZINC000870946427 583932073 /nfs/dbraw/zinc/93/20/73/583932073.db2.gz HJIUZRJTKDZXSA-SKMKEBHYSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870942427 583932129 /nfs/dbraw/zinc/93/21/29/583932129.db2.gz NEESUTHDMDOGCC-YFKTTZPYSA-N 2 0 239.363 0.761 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000870972775 583932755 /nfs/dbraw/zinc/93/27/55/583932755.db2.gz UZINJGBAIUARKD-GWOFURMSSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870983247 583933258 /nfs/dbraw/zinc/93/32/58/583933258.db2.gz UBTWLCKQPGZSDN-QJPTWQEYSA-N 2 0 239.363 0.666 20 0 BCADRP O[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000872141058 583948014 /nfs/dbraw/zinc/94/80/14/583948014.db2.gz JLUAMZFODFUSIP-WUHRBBMRSA-N 2 0 240.347 0.353 20 0 BCADRP C[NH+](C)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000897423685 583964521 /nfs/dbraw/zinc/96/45/21/583964521.db2.gz RKKPYAAXZUWIKM-LBPRGKRZSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC000897429478 583973202 /nfs/dbraw/zinc/97/32/02/583973202.db2.gz FEPKELZOLIZDEO-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H](C[NH2+]Cc1cn[nH]c1)N1CC[NH+](C)CC1 ZINC000729683165 584022608 /nfs/dbraw/zinc/02/26/08/584022608.db2.gz KDKHBHBQBVGUBP-LLVKDONJSA-N 2 0 237.351 0.135 20 0 BCADRP C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC000897896119 584058688 /nfs/dbraw/zinc/05/86/88/584058688.db2.gz NJOJXAFQIBQQHE-SNVBAGLBSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC000897896965 584058729 /nfs/dbraw/zinc/05/87/29/584058729.db2.gz FWQPZDDYGATCSD-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C1O[C@@H]2[C@H]([NH2+]C3CC[NH2+]CC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000873215418 584127232 /nfs/dbraw/zinc/12/72/32/584127232.db2.gz AFBCPSKRPFDNBV-MNSQCTGESA-N 2 0 222.332 0.751 20 0 BCADRP C[C@H]1C[C@H](C[N@@H+]2CCCNC(=O)C2)CC[NH2+]1 ZINC000873232243 584127826 /nfs/dbraw/zinc/12/78/26/584127826.db2.gz NPOMWAWMNPHZDG-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H](NC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000899266321 584189668 /nfs/dbraw/zinc/18/96/68/584189668.db2.gz RLRUKPITYQIQAP-UWVGGRQHSA-N 2 0 224.352 0.851 20 0 BCADRP C[NH+]1CCC(NCc2cn(C3CC3)nn2)CC1 ZINC000899714608 584228778 /nfs/dbraw/zinc/22/87/78/584228778.db2.gz VQAPGOMEAAHTNC-UHFFFAOYSA-N 2 0 235.335 0.797 20 0 BCADRP C[NH2+][C@H](C)c1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000899740922 584233978 /nfs/dbraw/zinc/23/39/78/584233978.db2.gz LELUCHVVAJZHRN-MNOVXSKESA-N 2 0 237.351 0.948 20 0 BCADRP C[NH2+][C@H](C)c1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899740920 584234173 /nfs/dbraw/zinc/23/41/73/584234173.db2.gz LELUCHVVAJZHRN-GHMZBOCLSA-N 2 0 237.351 0.948 20 0 BCADRP C[C@@H]([NH3+])c1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899742467 584234793 /nfs/dbraw/zinc/23/47/93/584234793.db2.gz XXJJYLBJHXLDMX-NXEZZACHSA-N 2 0 223.324 0.688 20 0 BCADRP CC[NH+](CC)CCC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000899859923 584242884 /nfs/dbraw/zinc/24/28/84/584242884.db2.gz NFVGVJVEBHJAHU-LBPRGKRZSA-N 2 0 244.379 0.584 20 0 BCADRP C[NH+]1CCC2(CC[N@@H+]2CC(C)(C)O)CC1 ZINC000899910791 584252738 /nfs/dbraw/zinc/25/27/38/584252738.db2.gz MZXYMIDERXWSIL-UHFFFAOYSA-N 2 0 212.337 0.927 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000899919607 584252577 /nfs/dbraw/zinc/25/25/77/584252577.db2.gz CGDFWKGFEPVINY-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP C[N@@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000899934412 584257921 /nfs/dbraw/zinc/25/79/21/584257921.db2.gz GAGLVINCZPEEJM-UHFFFAOYSA-N 2 0 237.347 0.246 20 0 BCADRP C[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900001151 584263334 /nfs/dbraw/zinc/26/33/34/584263334.db2.gz AAYHJYXCKROFCE-UHFFFAOYSA-N 2 0 237.347 0.293 20 0 BCADRP CC(C)(C[NH3+])Cc1nc(C2([NH3+])CCC2)no1 ZINC000900009343 584264927 /nfs/dbraw/zinc/26/49/27/584264927.db2.gz WXEXATDDYBVJPY-UHFFFAOYSA-N 2 0 224.308 0.935 20 0 BCADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH+](C)C ZINC000900162569 584281326 /nfs/dbraw/zinc/28/13/26/584281326.db2.gz GVQTYGKWRBKWIO-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP C[NH+](C)C1CCN(CCNC(=O)CCF)CC1 ZINC000900955301 584370782 /nfs/dbraw/zinc/37/07/82/584370782.db2.gz ORWPYMWMJKGIEA-UHFFFAOYSA-N 2 0 245.342 0.488 20 0 BCADRP CCNC(=O)[C@@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902329159 584561778 /nfs/dbraw/zinc/56/17/78/584561778.db2.gz POTZKVDCRKHCOV-MNOVXSKESA-N 2 0 241.379 0.879 20 0 BCADRP CCNC(=O)[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902329158 584561981 /nfs/dbraw/zinc/56/19/81/584561981.db2.gz POTZKVDCRKHCOV-GHMZBOCLSA-N 2 0 241.379 0.879 20 0 BCADRP COC[C@@H](CCO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358314 584570353 /nfs/dbraw/zinc/57/03/53/584570353.db2.gz AHSCDBISGURVDX-NWDGAFQWSA-N 2 0 244.379 0.752 20 0 BCADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000902409210 584575460 /nfs/dbraw/zinc/57/54/60/584575460.db2.gz JLHDVYZPUUKRMG-GMTAPVOTSA-N 3 0 209.337 0.455 20 0 BCADRP CC1(C)[C@H](NCC2([NH3+])CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902408683 584575740 /nfs/dbraw/zinc/57/57/40/584575740.db2.gz DXGNHDIXWPMUAZ-OUAUKWLOSA-N 2 0 223.364 0.844 20 0 BCADRP CC[NH2+]CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902390307 584580934 /nfs/dbraw/zinc/58/09/34/584580934.db2.gz JPSOJSDTSYESEM-LLVKDONJSA-N 2 0 213.369 0.964 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902394151 584583543 /nfs/dbraw/zinc/58/35/43/584583543.db2.gz WZKKQYBAHYBXTF-IJLUTSLNSA-N 2 0 242.363 0.768 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C/C=C/CO)C1 ZINC000902393066 584583912 /nfs/dbraw/zinc/58/39/12/584583912.db2.gz OJNFUPWZKGNVPA-UFFNRZRYSA-N 2 0 212.337 0.903 20 0 BCADRP C[C@@H]([NH2+]CC1([NH3+])CC1)C1CC[NH+](C)CC1 ZINC000902416417 584590188 /nfs/dbraw/zinc/59/01/88/584590188.db2.gz NVZFMHWMLSRCBF-SNVBAGLBSA-N 3 0 211.353 0.798 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]CCCON)[C@@H]2CCC[C@@H]21 ZINC000902416638 584590329 /nfs/dbraw/zinc/59/03/29/584590329.db2.gz VHXOMWCDVUICFB-SRVKXCTJSA-N 2 0 227.352 0.729 20 0 BCADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCON ZINC000902416603 584590682 /nfs/dbraw/zinc/59/06/82/584590682.db2.gz UPUSDZWERDTNKD-YPMHNXCESA-N 2 0 237.347 0.815 20 0 BCADRP C[C@@H]([NH2+]CCCON)C1CC[NH+](C)CC1 ZINC000902420293 584592415 /nfs/dbraw/zinc/59/24/15/584592415.db2.gz LNCIHEPWBPSDBV-SNVBAGLBSA-N 2 0 215.341 0.587 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000902446143 584593188 /nfs/dbraw/zinc/59/31/88/584593188.db2.gz SCUOLDOUJNRDOX-MNOVXSKESA-N 2 0 223.364 0.859 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000902441912 584597733 /nfs/dbraw/zinc/59/77/33/584597733.db2.gz FWHDTNPKOXLUET-RJRAAQABSA-N 2 0 235.375 0.570 20 0 BCADRP C[C@H](C[C@H]1COCC[NH2+]1)N[C@@H]1C[NH2+]CC1(C)C ZINC000902444828 584599110 /nfs/dbraw/zinc/59/91/10/584599110.db2.gz OTRYQAIEPKNACI-GRYCIOLGSA-N 2 0 241.379 0.341 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000902444990 584599149 /nfs/dbraw/zinc/59/91/49/584599149.db2.gz PCXSNZCXZOQUQE-AXFHLTTASA-N 2 0 223.364 0.844 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1N[C@@H]1CC[NH2+]C1(C)C ZINC000902444408 584599226 /nfs/dbraw/zinc/59/92/26/584599226.db2.gz NJZXWLVFQOUSKO-NXEZZACHSA-N 2 0 211.353 0.715 20 0 BCADRP NOCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000902414789 584600537 /nfs/dbraw/zinc/60/05/37/584600537.db2.gz CJADGBHTERTEPZ-GMTAPVOTSA-N 2 0 213.325 0.245 20 0 BCADRP NOCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000902414788 584600739 /nfs/dbraw/zinc/60/07/39/584600739.db2.gz CJADGBHTERTEPZ-GARJFASQSA-N 2 0 213.325 0.245 20 0 BCADRP CC[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000902473046 584601092 /nfs/dbraw/zinc/60/10/92/584601092.db2.gz OZIBHERTDAIZGM-FRRDWIJNSA-N 2 0 223.364 0.953 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000902447253 584604959 /nfs/dbraw/zinc/60/49/59/584604959.db2.gz XOMKJMYJSBTVEL-LPWJVIDDSA-N 3 0 237.391 0.962 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902449936 584606337 /nfs/dbraw/zinc/60/63/37/584606337.db2.gz AMQCIIXRNTWFRX-BUNZCYNESA-N 2 0 210.321 0.878 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902451321 584606774 /nfs/dbraw/zinc/60/67/74/584606774.db2.gz WKKZGSJDROUPKC-MXWKQRLJSA-N 2 0 211.353 0.524 20 0 BCADRP Cn1nnnc1CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000902458013 584610294 /nfs/dbraw/zinc/61/02/94/584610294.db2.gz WRHIPGLKOZSIQC-VHSXEESVSA-N 2 0 238.339 0.002 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461729 584611560 /nfs/dbraw/zinc/61/15/60/584611560.db2.gz QJSIYTCAYOTOKK-JZRPKSSGSA-N 2 0 223.364 0.857 20 0 BCADRP C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CCCC[NH2+]1 ZINC000902462647 584612055 /nfs/dbraw/zinc/61/20/55/584612055.db2.gz WTXUJTNNOVOKHJ-KSSYENDESA-N 2 0 223.364 1.000 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902464651 584613435 /nfs/dbraw/zinc/61/34/35/584613435.db2.gz BCSLMKRCKRICPO-PZWNZHSQSA-N 2 0 209.337 0.609 20 0 BCADRP C[C@@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466235 584614175 /nfs/dbraw/zinc/61/41/75/584614175.db2.gz KRVAHMLNPMXFBN-CKIKVBCHSA-N 2 0 239.363 0.236 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902467646 584614657 /nfs/dbraw/zinc/61/46/57/584614657.db2.gz QJSIYTCAYOTOKK-CKIKVBCHSA-N 2 0 223.364 0.857 20 0 BCADRP C1CC2(C1)[NH2+]CC[C@@H]2N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466861 584614999 /nfs/dbraw/zinc/61/49/99/584614999.db2.gz NYLVLYGBLNBDDI-KXNHARMFSA-N 2 0 221.348 0.754 20 0 BCADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C12CCC2 ZINC000902469252 584615269 /nfs/dbraw/zinc/61/52/69/584615269.db2.gz ZYPQELGXKVIKOB-IYKVGLELSA-N 2 0 221.348 0.739 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468875 584615283 /nfs/dbraw/zinc/61/52/83/584615283.db2.gz XIHSDMYJGSSYQQ-WHOHXGKFSA-N 2 0 211.353 0.986 20 0 BCADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469398 584615742 /nfs/dbraw/zinc/61/57/42/584615742.db2.gz PXPGWJXIJJXXQR-YBXAARCKSA-N 2 0 210.321 0.894 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000902490803 584618133 /nfs/dbraw/zinc/61/81/33/584618133.db2.gz VXTQQVDWLNHTRL-OJAKKHQRSA-N 2 0 239.363 0.080 20 0 BCADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902491352 584618183 /nfs/dbraw/zinc/61/81/83/584618183.db2.gz VTIJMDWJJGRTFW-PRULPYPASA-N 2 0 223.364 0.796 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]Cc1csc(N)n1 ZINC000902498403 584619383 /nfs/dbraw/zinc/61/93/83/584619383.db2.gz DYLUETDOJBNDMB-QMMMGPOBSA-N 2 0 244.364 0.569 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@@H](O)C1CC1 ZINC000902506618 584621896 /nfs/dbraw/zinc/62/18/96/584621896.db2.gz YSJXQLLDNDSLOY-IQJOONFLSA-N 2 0 200.326 0.863 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000902513366 584623460 /nfs/dbraw/zinc/62/34/60/584623460.db2.gz FRLYKHASCNYFMV-HBNTYKKESA-N 2 0 216.325 0.243 20 0 BCADRP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487027 584626022 /nfs/dbraw/zinc/62/60/22/584626022.db2.gz ISHMPIHHAABPJP-GUBZILKMSA-N 2 0 234.365 0.137 20 0 BCADRP COc1ccc(C[NH2+]CCOCC[NH+](C)C)o1 ZINC000902487600 584626741 /nfs/dbraw/zinc/62/67/41/584626741.db2.gz KKPXMKPDGREODE-UHFFFAOYSA-N 2 0 242.319 0.956 20 0 BCADRP COC[C@@H](O)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000902514804 584629603 /nfs/dbraw/zinc/62/96/03/584629603.db2.gz QFZUZICXBBJBDO-DCAQKATOSA-N 2 0 216.325 0.101 20 0 BCADRP C[NH+](C)CCCC[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903083950 584725004 /nfs/dbraw/zinc/72/50/04/584725004.db2.gz RHWPCGUOCWNURG-STQMWFEESA-N 2 0 242.363 0.866 20 0 BCADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCCNC1=O ZINC000903433233 584762197 /nfs/dbraw/zinc/76/21/97/584762197.db2.gz WKWDBTOKCDTEOX-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](CCCO)C1CC1 ZINC000903438688 584762787 /nfs/dbraw/zinc/76/27/87/584762787.db2.gz ZCYZROGBMGLZEP-MNOVXSKESA-N 2 0 212.337 0.689 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903421985 584763528 /nfs/dbraw/zinc/76/35/28/584763528.db2.gz SEZGGXFWWCXJPM-UPJWGTAASA-N 2 0 225.380 0.773 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000903422903 584764206 /nfs/dbraw/zinc/76/42/06/584764206.db2.gz MGWJZFPBFWQTHP-WYUUTHIRSA-N 2 0 211.353 0.524 20 0 BCADRP C[C@H]1CCN(C[C@H]2CCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000903458721 584764962 /nfs/dbraw/zinc/76/49/62/584764962.db2.gz ICGLAXKZSHXOTN-SDDRHHMPSA-N 2 0 211.353 0.655 20 0 BCADRP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903458610 584765048 /nfs/dbraw/zinc/76/50/48/584765048.db2.gz FOGSWXYYICUXQX-TUAOUCFPSA-N 2 0 222.336 0.989 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000903424787 584765476 /nfs/dbraw/zinc/76/54/76/584765476.db2.gz GWXOMXPUKRLIOF-QNWHQSFQSA-N 2 0 225.380 0.901 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000903425031 584765496 /nfs/dbraw/zinc/76/54/96/584765496.db2.gz PCBAKNLYLPLKCY-NOOOWODRSA-N 2 0 211.353 0.511 20 0 BCADRP C(CN1CC[C@]2(CCC[NH2+]2)C1)OC1CC1 ZINC000903459915 584766898 /nfs/dbraw/zinc/76/68/98/584766898.db2.gz QTDWURGFAXBSRF-GFCCVEGCSA-N 2 0 210.321 0.993 20 0 BCADRP [NH3+][C@@H]1CN(C[C@H]2CCC[NH2+]2)CC[C@H]1F ZINC000903464496 584766901 /nfs/dbraw/zinc/76/69/01/584766901.db2.gz PRTPTDVFAMZLFB-OPRDCNLKSA-N 2 0 201.289 0.110 20 0 BCADRP CON1CC[C@@H]([N@@H+]2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000903450324 584772218 /nfs/dbraw/zinc/77/22/18/584772218.db2.gz UDKYMXYGYXTGSF-WDEREUQCSA-N 2 0 241.335 0.210 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000903453800 584772471 /nfs/dbraw/zinc/77/24/71/584772471.db2.gz LUEJKQDANVEFAQ-HZSPNIEDSA-N 2 0 237.391 0.917 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000903453801 584772486 /nfs/dbraw/zinc/77/24/86/584772486.db2.gz LUEJKQDANVEFAQ-RDBSUJKOSA-N 2 0 237.391 0.917 20 0 BCADRP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)CN1 ZINC000903453821 584772633 /nfs/dbraw/zinc/77/26/33/584772633.db2.gz MTJAMZPHRVXCGR-YFKTTZPYSA-N 2 0 211.353 0.796 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000903453057 584772663 /nfs/dbraw/zinc/77/26/63/584772663.db2.gz XOVMBHNKAPZWHH-NDBYEHHHSA-N 2 0 223.364 0.526 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000903454132 584773584 /nfs/dbraw/zinc/77/35/84/584773584.db2.gz VNVVFAMUOQMCNW-RHYQMDGZSA-N 2 0 211.353 0.524 20 0 BCADRP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1CCOC1 ZINC000903470466 584774872 /nfs/dbraw/zinc/77/48/72/584774872.db2.gz LXJAGZSSPSFRTB-QWRGUYRKSA-N 2 0 210.321 0.897 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903474232 584776609 /nfs/dbraw/zinc/77/66/09/584776609.db2.gz JLUVJRAMCVIYGB-MNOVXSKESA-N 3 0 215.341 0.021 20 0 BCADRP [NH3+][C@@H]1CC[C@H](CN2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000903475913 584776953 /nfs/dbraw/zinc/77/69/53/584776953.db2.gz HSOYLOYNGQCCNG-QNWHQSFQSA-N 2 0 223.364 0.940 20 0 BCADRP [NH3+][C@@H]1CC[C@H](CN2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903476582 584777372 /nfs/dbraw/zinc/77/73/72/584777372.db2.gz BKKDGYUCTUUALU-WHOHXGKFSA-N 2 0 209.337 0.550 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000903476120 584777408 /nfs/dbraw/zinc/77/74/08/584777408.db2.gz NZXLLCIFILMEQR-ZOBORPQBSA-N 2 0 237.391 0.868 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903478987 584778048 /nfs/dbraw/zinc/77/80/48/584778048.db2.gz OSJKTUXLBPPBPF-MROQNXINSA-N 3 0 223.364 0.655 20 0 BCADRP C(N[C@@H]1CC[NH2+]C12CCCC2)[C@H]1C[NH2+]CCO1 ZINC000903482251 584778494 /nfs/dbraw/zinc/77/84/94/584778494.db2.gz ZUNOBNDZCPJHCA-VXGBXAGGSA-N 2 0 239.363 0.239 20 0 BCADRP CC[C@@H](C)[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492887 584780888 /nfs/dbraw/zinc/78/08/88/584780888.db2.gz KRAKRBFRIVWXQA-XZUYRWCXSA-N 2 0 240.347 0.997 20 0 BCADRP C[NH2+]CCCN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903514511 584781251 /nfs/dbraw/zinc/78/12/51/584781251.db2.gz REDQSPIODCNWDE-HTQZYQBOSA-N 2 0 225.258 0.417 20 0 BCADRP [NH3+]CCN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903538668 584781890 /nfs/dbraw/zinc/78/18/90/584781890.db2.gz CVMIJTIWDWDDIY-RQJHMYQMSA-N 2 0 211.231 0.157 20 0 BCADRP C[C@]1(C2CC[NH+](CCC[NH3+])CC2)COC(=O)N1 ZINC000903563757 584782323 /nfs/dbraw/zinc/78/23/23/584782323.db2.gz LCUHOQSZAJCHEE-GFCCVEGCSA-N 2 0 241.335 0.546 20 0 BCADRP C[NH2+]CCN(CC[C@@H]1CC[NH2+]C1)C(C)C ZINC000903574224 584783953 /nfs/dbraw/zinc/78/39/53/584783953.db2.gz WVRKBBXXTWGRDN-LBPRGKRZSA-N 2 0 213.369 0.916 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903708317 584791343 /nfs/dbraw/zinc/79/13/43/584791343.db2.gz QNCIOKGUAQQJJS-QWHCGFSZSA-N 2 0 240.347 0.476 20 0 BCADRP C[C@](C[NH3+])([NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1)C1CC1 ZINC000903716998 584792193 /nfs/dbraw/zinc/79/21/93/584792193.db2.gz GFDQACXZGWYVAS-XYJRDEOASA-N 2 0 240.347 0.507 20 0 BCADRP C[C@H](C[NH3+])N(C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717039 584792381 /nfs/dbraw/zinc/79/23/81/584792381.db2.gz XSFJRORIOWECCT-GRYCIOLGSA-N 2 0 227.352 0.034 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000903717300 584792458 /nfs/dbraw/zinc/79/24/58/584792458.db2.gz MRGCKBWGUAXNDY-YNEHKIRRSA-N 2 0 241.379 0.424 20 0 BCADRP C[C@H](O)CC[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903732290 584793052 /nfs/dbraw/zinc/79/30/52/584793052.db2.gz FARSQWKPVZIEAJ-AVGNSLFASA-N 2 0 242.363 0.458 20 0 BCADRP [NH3+][C@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903713482 584793338 /nfs/dbraw/zinc/79/33/38/584793338.db2.gz SDJSUSPVUNOLHN-NEPJUHHUSA-N 2 0 211.353 0.799 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000903716049 584794087 /nfs/dbraw/zinc/79/40/87/584794087.db2.gz GWIKKUGYXPOWOS-KXNHARMFSA-N 2 0 240.347 0.855 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903715803 584794222 /nfs/dbraw/zinc/79/42/22/584794222.db2.gz ADUBNXSEPSDBBN-STQMWFEESA-N 2 0 225.380 0.917 20 0 BCADRP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC([NH3+])C1 ZINC000903748870 584794757 /nfs/dbraw/zinc/79/47/57/584794757.db2.gz CAYHNVLYJWCVJU-IFWUJCSASA-N 3 0 239.363 0.177 20 0 BCADRP FC(F)[C@@H]1C[NH2+]CCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903749639 584794849 /nfs/dbraw/zinc/79/48/49/584794849.db2.gz NNLGBBLDHVZZTR-MNOVXSKESA-N 2 0 247.333 0.915 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC[C@@H](O)C[NH+]1CCCC1 ZINC000903752405 584795397 /nfs/dbraw/zinc/79/53/97/584795397.db2.gz NSEDUXUGDNMSKG-NEPJUHHUSA-N 2 0 243.395 0.406 20 0 BCADRP OC[C@@H]1CCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903753068 584796322 /nfs/dbraw/zinc/79/63/22/584796322.db2.gz ZOMZHRSFTHTGBK-XQQFMLRXSA-N 2 0 240.347 0.212 20 0 BCADRP [NH3+]C[C@H]1CN(C[C@H]2CCCC[NH2+]C2)CCCO1 ZINC000903760996 584797109 /nfs/dbraw/zinc/79/71/09/584797109.db2.gz MLLOBPMXQFHPEZ-STQMWFEESA-N 2 0 241.379 0.426 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000903766932 584797172 /nfs/dbraw/zinc/79/71/72/584797172.db2.gz DEZJXJLAEXQWSZ-NOOOWODRSA-N 2 0 240.347 0.997 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000903764788 584797324 /nfs/dbraw/zinc/79/73/24/584797324.db2.gz WVHJZZSRFOTIID-JHJVBQTASA-N 2 0 241.379 0.303 20 0 BCADRP O[C@@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903764267 584797451 /nfs/dbraw/zinc/79/74/51/584797451.db2.gz QQIVOEIGQYCUSQ-NWDGAFQWSA-N 2 0 212.337 0.833 20 0 BCADRP [NH3+]C[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000903760993 584797517 /nfs/dbraw/zinc/79/75/17/584797517.db2.gz MLLOBPMXQFHPEZ-CHWSQXEVSA-N 2 0 241.379 0.426 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000903764792 584797619 /nfs/dbraw/zinc/79/76/19/584797619.db2.gz WVHJZZSRFOTIID-YNEHKIRRSA-N 2 0 241.379 0.303 20 0 BCADRP CCN(CC[NH3+])C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903769366 584797755 /nfs/dbraw/zinc/79/77/55/584797755.db2.gz DWTMHHQVPLYVDS-NWDGAFQWSA-N 2 0 227.352 0.036 20 0 BCADRP CNC(=O)CCC[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903755985 584798757 /nfs/dbraw/zinc/79/87/57/584798757.db2.gz NVFNKFLUYYCUIP-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP CNC(=O)CCC[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903755986 584798810 /nfs/dbraw/zinc/79/88/10/584798810.db2.gz NVFNKFLUYYCUIP-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C[C@H]1CCCC[NH2+]C1 ZINC000903779158 584799600 /nfs/dbraw/zinc/79/96/00/584799600.db2.gz UYYVCSNXMKEMNZ-GRYCIOLGSA-N 2 0 211.353 0.798 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000903782330 584800366 /nfs/dbraw/zinc/80/03/66/584800366.db2.gz KWYOQXTULVXLES-QJPTWQEYSA-N 2 0 241.379 0.159 20 0 BCADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2CCO)CCC1 ZINC000903812111 584803383 /nfs/dbraw/zinc/80/33/83/584803383.db2.gz PZYPVKHGBZZBHX-NSHDSACASA-N 2 0 212.337 0.962 20 0 BCADRP NC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903826273 584804814 /nfs/dbraw/zinc/80/48/14/584804814.db2.gz HALFRRJYLIRREQ-LOWVWBTDSA-N 2 0 237.347 0.326 20 0 BCADRP CC[N@H+](CCC(=O)NC)C[C@@H]1CC[NH2+]C1 ZINC000903827427 584804989 /nfs/dbraw/zinc/80/49/89/584804989.db2.gz SHXBRCBDRGIWGB-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP C(C[N@@H+]1CCO[C@@H]2COCC[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000903829223 584805346 /nfs/dbraw/zinc/80/53/46/584805346.db2.gz CHSGVKFDVGKHSW-FRRDWIJNSA-N 2 0 240.347 0.476 20 0 BCADRP C[C@H]1CCOCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903833813 584806240 /nfs/dbraw/zinc/80/62/40/584806240.db2.gz YEGFTCLQPRYJIA-RYUDHWBXSA-N 2 0 240.347 0.476 20 0 BCADRP COCC[C@H]1CNCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000903833413 584806287 /nfs/dbraw/zinc/80/62/87/584806287.db2.gz WAJOEQINVGHNAJ-ZDUSSCGKSA-N 2 0 241.379 0.296 20 0 BCADRP COCC[C@H]1C[NH2+]CCN1C[C@H]1CCC[NH2+]1 ZINC000903838611 584806695 /nfs/dbraw/zinc/80/66/95/584806695.db2.gz DPHHXAVLBSKSAB-NEPJUHHUSA-N 2 0 227.352 0.049 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903858907 584810990 /nfs/dbraw/zinc/81/09/90/584810990.db2.gz KCGKBJLTEKYPFH-VOAKCMCISA-N 2 0 223.364 0.655 20 0 BCADRP N[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872766 584815181 /nfs/dbraw/zinc/81/51/81/584815181.db2.gz BWUZUPCVMOPMOJ-HSTDOPHLSA-N 2 0 209.337 0.550 20 0 BCADRP CN(C[C@@H]([NH3+])CC(F)F)C1CC[NH2+]CC1 ZINC000903873460 584815810 /nfs/dbraw/zinc/81/58/10/584815810.db2.gz IDHIUQIXNOMPLZ-QMMMGPOBSA-N 2 0 221.295 0.653 20 0 BCADRP C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)CC[NH2+]1 ZINC000903873702 584815972 /nfs/dbraw/zinc/81/59/72/584815972.db2.gz KXBRTXUGAGXYJQ-HTQZYQBOSA-N 2 0 207.268 0.263 20 0 BCADRP C[NH2+][C@H]1CCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903873636 584816039 /nfs/dbraw/zinc/81/60/39/584816039.db2.gz JVCXHYWVENCAHG-YUMQZZPRSA-N 2 0 207.268 0.263 20 0 BCADRP C[C@@H](O)CCN(C)C[C@H]([NH3+])CC(F)F ZINC000903897017 584819728 /nfs/dbraw/zinc/81/97/28/584819728.db2.gz XUULQEGQHJCRRV-HTQZYQBOSA-N 2 0 210.268 0.672 20 0 BCADRP CC(C)N(CCO)C[C@@H]([NH3+])CC(F)F ZINC000903876744 584816771 /nfs/dbraw/zinc/81/67/71/584816771.db2.gz HWMJVVPKSMCVGP-QMMMGPOBSA-N 2 0 210.268 0.672 20 0 BCADRP COC[C@@H]1C[NH2+]CCN1CC[C@H]1CCC[NH2+]C1 ZINC000903880435 584817140 /nfs/dbraw/zinc/81/71/40/584817140.db2.gz IFTHCUPTLQUAHW-OLZOCXBDSA-N 2 0 241.379 0.296 20 0 BCADRP CC[C@@H]1C(=O)NCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903882577 584818165 /nfs/dbraw/zinc/81/81/65/584818165.db2.gz OFNCKWUQBYERRL-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP OC[C@@H]1CCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903885731 584818948 /nfs/dbraw/zinc/81/89/48/584818948.db2.gz KBPIAXNNVISOAZ-WVMKXHBISA-N 2 0 224.348 0.974 20 0 BCADRP C[C@H](O)CCN(C)C[C@@H]([NH3+])CC(F)F ZINC000903897020 584819927 /nfs/dbraw/zinc/81/99/27/584819927.db2.gz XUULQEGQHJCRRV-YUMQZZPRSA-N 2 0 210.268 0.672 20 0 BCADRP CC(C)(C)[C@@H](CO)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903903488 584821133 /nfs/dbraw/zinc/82/11/33/584821133.db2.gz LKUSYMBYHUJDKE-HTQZYQBOSA-N 2 0 224.295 0.966 20 0 BCADRP CC1([NH3+])CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903905617 584821271 /nfs/dbraw/zinc/82/12/71/584821271.db2.gz KADCFMYKZPXYLF-MRVPVSSYSA-N 2 0 221.295 0.782 20 0 BCADRP C[C@]1(C[NH3+])CCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903906074 584821216 /nfs/dbraw/zinc/82/12/16/584821216.db2.gz RJJSDLAETHLHNG-WCBMZHEXSA-N 2 0 221.295 0.640 20 0 BCADRP [NH3+][C@H](CN[C@@H]1CCCC[NH2+]C1)CC(F)F ZINC000903920762 584823149 /nfs/dbraw/zinc/82/31/49/584823149.db2.gz WYYCKFVRGYWNPG-DTWKUNHWSA-N 2 0 221.295 0.701 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC[C@@H]([NH3+])CC(F)F ZINC000903919274 584823182 /nfs/dbraw/zinc/82/31/82/584823182.db2.gz LNORFJQCIDIWEF-YUMQZZPRSA-N 2 0 221.295 0.699 20 0 BCADRP [NH3+][C@@H](CN[C@H]1CCCC[NH2+]C1)CC(F)F ZINC000903920758 584823183 /nfs/dbraw/zinc/82/31/83/584823183.db2.gz WYYCKFVRGYWNPG-BDAKNGLRSA-N 2 0 221.295 0.701 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC[C@@H]([NH3+])CC(F)F ZINC000903920002 584823207 /nfs/dbraw/zinc/82/32/07/584823207.db2.gz RCQUTLCCZRFZCQ-JGVFFNPUSA-N 3 0 223.311 0.932 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]([NH3+])CC(F)F ZINC000903920053 584823336 /nfs/dbraw/zinc/82/33/36/584823336.db2.gz RQQANGRXHIBGOT-VGMNWLOBSA-N 2 0 221.295 0.557 20 0 BCADRP COC(=O)[C@]12CCC[C@H]1C[N@H+](CCC[NH3+])C2 ZINC000903939443 584825485 /nfs/dbraw/zinc/82/54/85/584825485.db2.gz HMQPGTLNBVIZSQ-JQWIXIFHSA-N 2 0 226.320 0.610 20 0 BCADRP C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)C[C@H]1C[NH3+] ZINC000903936149 584825711 /nfs/dbraw/zinc/82/57/11/584825711.db2.gz YTLHQIZYDZLRGC-IWSPIJDZSA-N 2 0 221.295 0.496 20 0 BCADRP [NH3+][C@@H](CN[C@H]1CC[NH2+]C12CCC2)CC(F)F ZINC000903936343 584825798 /nfs/dbraw/zinc/82/57/98/584825798.db2.gz ZMEAZXFZFBBANS-BDAKNGLRSA-N 2 0 233.306 0.843 20 0 BCADRP C[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)[C@H](C)C[NH2+]1 ZINC000903916174 584826940 /nfs/dbraw/zinc/82/69/40/584826940.db2.gz FSXGNJGQUZEAJQ-HLTSFMKQSA-N 2 0 221.295 0.651 20 0 BCADRP C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)[C@@H](C)C[NH2+]1 ZINC000903916175 584827152 /nfs/dbraw/zinc/82/71/52/584827152.db2.gz FSXGNJGQUZEAJQ-HRDYMLBCSA-N 2 0 221.295 0.651 20 0 BCADRP CN(C[C@@H]([NH3+])CC(F)F)C1(C[NH3+])CCC1 ZINC000903918295 584827188 /nfs/dbraw/zinc/82/71/88/584827188.db2.gz WHVOAXSDSZCCFI-QMMMGPOBSA-N 2 0 221.295 0.782 20 0 BCADRP [NH3+][C@@H](CNC[C@@H]1CCCC[NH2+]1)CC(F)F ZINC000903918284 584827231 /nfs/dbraw/zinc/82/72/31/584827231.db2.gz WGOZPLNWOYAYME-BDAKNGLRSA-N 2 0 221.295 0.701 20 0 BCADRP COC[C@H]([NH2+]C1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000903960170 584827617 /nfs/dbraw/zinc/82/76/17/584827617.db2.gz YDESOCUDDZHSJX-YPMHNXCESA-N 2 0 242.363 0.770 20 0 BCADRP COC[C@H]([NH2+]CCC[NH3+])[C@@H]1CCCOC1 ZINC000903959419 584827807 /nfs/dbraw/zinc/82/78/07/584827807.db2.gz HTMDXAXZQRETLP-MNOVXSKESA-N 2 0 216.325 0.366 20 0 BCADRP CCC1([NH3+])CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000903949176 584830420 /nfs/dbraw/zinc/83/04/20/584830420.db2.gz ZQMUMCXNEJWEEK-UHFFFAOYSA-N 2 0 223.364 0.942 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CNCC[NH2+]C(C)(C)C ZINC000903968307 584835015 /nfs/dbraw/zinc/83/50/15/584835015.db2.gz SBYHTRWIXVXNTM-GHMZBOCLSA-N 2 0 213.369 0.820 20 0 BCADRP Nc1cc[nH+]c(CN[C@@H]2CCC[NH2+]CC2)c1 ZINC000903954029 584831402 /nfs/dbraw/zinc/83/14/02/584831402.db2.gz OHAMVEOZPQYAOI-LLVKDONJSA-N 2 0 220.320 0.896 20 0 BCADRP Nc1cc[nH+]c(CNCC2(C[NH3+])CC2)c1 ZINC000903953227 584831462 /nfs/dbraw/zinc/83/14/62/584831462.db2.gz CPBXOMWKMGAUSJ-UHFFFAOYSA-N 2 0 206.293 0.492 20 0 BCADRP CC(C)[C@@H](C[NH3+])CNCc1cc(N)cc[nH+]1 ZINC000903954322 584832288 /nfs/dbraw/zinc/83/22/88/584832288.db2.gz QOMGQNFKSRXHNZ-JTQLQIEISA-N 2 0 222.336 0.984 20 0 BCADRP CC(C)([NH3+])CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973572 584832566 /nfs/dbraw/zinc/83/25/66/584832566.db2.gz PHAWMHWQSIFKQP-LLVKDONJSA-N 2 0 241.379 0.472 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccn(C)n1 ZINC000903973344 584832636 /nfs/dbraw/zinc/83/26/36/584832636.db2.gz ACVSZDNLJROAGB-GHMZBOCLSA-N 2 0 222.336 0.755 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000903979111 584832881 /nfs/dbraw/zinc/83/28/81/584832881.db2.gz VWTXXEBXXJSAMJ-UPJWGTAASA-N 3 0 225.380 0.964 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CC[NH2+]CC1 ZINC000903978796 584832899 /nfs/dbraw/zinc/83/28/99/584832899.db2.gz MNIHILOCWKPBEC-GHMZBOCLSA-N 3 0 211.353 0.574 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCNC1 ZINC000903978690 584833059 /nfs/dbraw/zinc/83/30/59/584833059.db2.gz KQEXLBXKAIIHKC-IJLUTSLNSA-N 2 0 211.353 0.574 20 0 BCADRP [NH3+][C@@H]1CN(C[C@@]23C[C@@H]2C[NH2+]C3)C[C@H]1C(F)(F)F ZINC000903981498 584833648 /nfs/dbraw/zinc/83/36/48/584833648.db2.gz DMUFTELJECPIRA-KYXWUPHJSA-N 2 0 249.280 0.417 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903968703 584834938 /nfs/dbraw/zinc/83/49/38/584834938.db2.gz ZMXXPYNOKWCKAX-IUKMKKQMSA-N 3 0 237.391 0.962 20 0 BCADRP CC1(C)CN(C[C@H]([NH3+])CC(F)F)C[C@H]1[NH3+] ZINC000903986087 584835695 /nfs/dbraw/zinc/83/56/95/584835695.db2.gz FNGHMPBBUZVQQK-HTQZYQBOSA-N 2 0 221.295 0.638 20 0 BCADRP C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1CN ZINC000904299774 584860685 /nfs/dbraw/zinc/86/06/85/584860685.db2.gz OBYASOOLPAVSCK-WYUUTHIRSA-N 2 0 211.353 0.783 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(C[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000904301704 584861342 /nfs/dbraw/zinc/86/13/42/584861342.db2.gz PGMVRECUQXFJBD-XQQFMLRXSA-N 2 0 241.379 0.424 20 0 BCADRP C[C@]1(CN2CCC[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000904300193 584861343 /nfs/dbraw/zinc/86/13/43/584861343.db2.gz YOKMZAJVCNOFJB-NEPJUHHUSA-N 2 0 211.353 0.799 20 0 BCADRP CC(C)(C)CC[C@@H]([NH3+])CN1CC[C@@H](C(N)=O)C1 ZINC000904301289 584861398 /nfs/dbraw/zinc/86/13/98/584861398.db2.gz DCQQMVXWMIQKTC-GHMZBOCLSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@]1(C[N@@H+]2CCC[C@@H](O)C2)CCC[NH2+]C1 ZINC000904301603 584861499 /nfs/dbraw/zinc/86/14/99/584861499.db2.gz JSGZIJNRGWAOGW-NEPJUHHUSA-N 2 0 212.337 0.833 20 0 BCADRP CNC(=O)[C@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308482 584862945 /nfs/dbraw/zinc/86/29/45/584862945.db2.gz QUXOYKYJZFHTCF-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)C1 ZINC000904314430 584863209 /nfs/dbraw/zinc/86/32/09/584863209.db2.gz XDGGQVVDYRGWDZ-KXNHARMFSA-N 2 0 237.347 0.467 20 0 BCADRP CC(C)(C)[C@@H](CO)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904338232 584863219 /nfs/dbraw/zinc/86/32/19/584863219.db2.gz OYAICODUSXHBNG-KXUCPTDWSA-N 2 0 200.326 0.720 20 0 BCADRP C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321663 584864449 /nfs/dbraw/zinc/86/44/49/584864449.db2.gz BBKZXQOFSJCEKH-YTWAJWBKSA-N 2 0 248.392 0.477 20 0 BCADRP COCCCOCC[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904329563 584865787 /nfs/dbraw/zinc/86/57/87/584865787.db2.gz PVHWBHLMUHITLE-TXEJJXNPSA-N 2 0 230.352 0.709 20 0 BCADRP CCC[C@@](C)(CO)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904328982 584865872 /nfs/dbraw/zinc/86/58/72/584865872.db2.gz JXDZWXVBMGUISB-AXFHLTTASA-N 2 0 200.326 0.864 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)C1 ZINC000904328809 584866157 /nfs/dbraw/zinc/86/61/57/584866157.db2.gz SRJBVXHNPQCTRH-UPJWGTAASA-N 2 0 249.362 0.727 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000904334388 584866379 /nfs/dbraw/zinc/86/63/79/584866379.db2.gz UTFSWKXPEIUKTK-FRRDWIJNSA-N 3 0 223.364 0.799 20 0 BCADRP COC[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000904342290 584867017 /nfs/dbraw/zinc/86/70/17/584867017.db2.gz CEMPNPIHEGGIOL-WISYIIOYSA-N 2 0 228.336 0.459 20 0 BCADRP CCC[C@@]1(C)C(=O)NCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904342563 584867288 /nfs/dbraw/zinc/86/72/88/584867288.db2.gz KQWGKRAGZUFFBI-LOWVWBTDSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@]1(C[N@@H+]2CC[C@@H](n3cncn3)C2)CCC[NH2+]C1 ZINC000904343610 584867653 /nfs/dbraw/zinc/86/76/53/584867653.db2.gz WEHUBNAJENOFKE-OLZOCXBDSA-N 2 0 249.362 0.915 20 0 BCADRP CCN1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1=O ZINC000904346403 584868083 /nfs/dbraw/zinc/86/80/83/584868083.db2.gz TXPIBTDJTCPWQM-PHIMTYICSA-N 2 0 225.336 0.278 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@]23CCOC3=O)C1 ZINC000904348256 584868204 /nfs/dbraw/zinc/86/82/04/584868204.db2.gz OMFVSZSHQKRFPY-JFGNBEQYSA-N 2 0 224.304 0.505 20 0 BCADRP COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345302 584868525 /nfs/dbraw/zinc/86/85/25/584868525.db2.gz CSOHYRMJIRISLQ-WISYIIOYSA-N 2 0 240.347 0.997 20 0 BCADRP CN1CCN(Cc2ccc(C[NH3+])cc2)[C@H](C[NH3+])C1 ZINC000904350376 584868853 /nfs/dbraw/zinc/86/88/53/584868853.db2.gz JUNBXPUXWAKNOZ-CQSZACIVSA-N 2 0 248.374 0.220 20 0 BCADRP CC(C)[C@H]([NH3+])CNC[C@]1(C)CCC[NH2+]C1 ZINC000904350470 584868881 /nfs/dbraw/zinc/86/88/81/584868881.db2.gz MBGBQUATHCZMEV-VXGBXAGGSA-N 2 0 213.369 0.949 20 0 BCADRP CCN1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C(C)(C)C1=O ZINC000904348810 584869048 /nfs/dbraw/zinc/86/90/48/584869048.db2.gz WDYMALYTTHXUMO-PHIMTYICSA-N 2 0 239.363 0.666 20 0 BCADRP c1cn(C2CC2)c(CN[C@@H]2CC[NH2+]C2)n1 ZINC000904353203 584869880 /nfs/dbraw/zinc/86/98/80/584869880.db2.gz IKERSMJIVSYARL-SECBINFHSA-N 2 0 206.293 0.670 20 0 BCADRP [NH3+]Cc1ccc(CNC[C@@H]2CCC[NH2+]2)cc1 ZINC000904354493 584870497 /nfs/dbraw/zinc/87/04/97/584870497.db2.gz ZZRIQJKTSOQZBS-ZDUSSCGKSA-N 2 0 219.332 0.987 20 0 BCADRP C[C@H]1C[C@H]([NH2+]C2CCN(CC[NH3+])CC2)CC[NH2+]1 ZINC000904355400 584870894 /nfs/dbraw/zinc/87/08/94/584870894.db2.gz NBQNICMXBGLZIK-WCQYABFASA-N 3 0 240.395 0.140 20 0 BCADRP [NH3+]CC1CC(N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000904355518 584871240 /nfs/dbraw/zinc/87/12/40/584871240.db2.gz SYDZOXROIRQVSW-HACHORDNSA-N 2 0 219.279 0.311 20 0 BCADRP NC[C@H]([NH2+]C1CC(C[NH3+])C1)C1CCCC1 ZINC000904359034 584871679 /nfs/dbraw/zinc/87/16/79/584871679.db2.gz WNXNMNKKUIHQPC-NHNAUAITSA-N 2 0 211.353 0.831 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000904357765 584872012 /nfs/dbraw/zinc/87/20/12/584872012.db2.gz AWENCCJXZFOWHU-TUAOUCFPSA-N 3 0 223.364 0.988 20 0 BCADRP C[C@@H]([NH2+]C1CC(C[NH3+])C1)[C@@H](C)N1CCOCC1 ZINC000904361932 584872044 /nfs/dbraw/zinc/87/20/44/584872044.db2.gz CLINALOAMJZTTO-OKZRHMCRSA-N 2 0 241.379 0.423 20 0 BCADRP C[C@@]1(CNC[C@@H]2C[NH2+]CCCO2)CCC[NH2+]C1 ZINC000904357722 584872122 /nfs/dbraw/zinc/87/21/22/584872122.db2.gz ANMRJVWTGUFTHO-QWHCGFSZSA-N 2 0 241.379 0.344 20 0 BCADRP [NH3+]CCN1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000904367695 584872545 /nfs/dbraw/zinc/87/25/45/584872545.db2.gz GUBWWSRMHOGVJX-CYBMUJFWSA-N 2 0 241.379 0.568 20 0 BCADRP COC(=O)C1(C[NH2+]C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904369053 584872620 /nfs/dbraw/zinc/87/26/20/584872620.db2.gz QPFDWUYVZYNODQ-GFCCVEGCSA-N 2 0 240.347 0.919 20 0 BCADRP CCN(C)C(=O)[C@@H](C)[NH2+]C1CC(C[NH3+])C1 ZINC000904367620 584872685 /nfs/dbraw/zinc/87/26/85/584872685.db2.gz AMDHDNZZLBOGSC-XNWIYYODSA-N 2 0 213.325 0.180 20 0 BCADRP COC(=O)C(C)(C)C[NH2+]C1CC(C[NH3+])C1 ZINC000904367553 584872851 /nfs/dbraw/zinc/87/28/51/584872851.db2.gz DZDJAMSCMADPJG-UHFFFAOYSA-N 2 0 214.309 0.513 20 0 BCADRP [NH3+]CCN1CCC([NH2+]CCc2ccccn2)CC1 ZINC000904367472 584872853 /nfs/dbraw/zinc/87/28/53/584872853.db2.gz BQSSBRVNDRIFQQ-UHFFFAOYSA-N 2 0 248.374 0.637 20 0 BCADRP CC(C)(C)CC[C@@H]([NH3+])CNC[C@@H]1C[NH2+]CCO1 ZINC000904372168 584873442 /nfs/dbraw/zinc/87/34/42/584873442.db2.gz ZAPIMMBLQLKXGI-NEPJUHHUSA-N 2 0 243.395 0.718 20 0 BCADRP [NH3+]Cc1ccc(CN2CCCO[C@H](C[NH3+])C2)cc1 ZINC000904371767 584873469 /nfs/dbraw/zinc/87/34/69/584873469.db2.gz SSLDQJVGSIKURD-CQSZACIVSA-N 2 0 249.358 0.695 20 0 BCADRP C[C@]1(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)CCC[NH2+]C1 ZINC000904373508 584873647 /nfs/dbraw/zinc/87/36/47/584873647.db2.gz RTACYMCAEBPMIB-AVGNSLFASA-N 2 0 242.363 0.051 20 0 BCADRP [NH3+]CCN1CCC([NH2+][C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000904374364 584873701 /nfs/dbraw/zinc/87/37/01/584873701.db2.gz REASFPHVFWMCMX-CHWSQXEVSA-N 3 0 240.395 0.269 20 0 BCADRP C[NH2+]CCCN(C)C[C@]1(C)CCC[NH2+]C1 ZINC000904372531 584874005 /nfs/dbraw/zinc/87/40/05/584874005.db2.gz DUWVYLOUHMCVQS-GFCCVEGCSA-N 2 0 213.369 0.917 20 0 BCADRP C[C@H](Cn1cccn1)[NH2+]C1CC(C[NH3+])C1 ZINC000904364354 584874406 /nfs/dbraw/zinc/87/44/06/584874406.db2.gz WCENFASQJSTXTH-KPPDAEKUSA-N 2 0 208.309 0.599 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ccc(N)nn2)C[C@H]1CC[NH3+] ZINC000904389460 584875567 /nfs/dbraw/zinc/87/55/67/584875567.db2.gz YNZNJRDSBBKYMP-NXEZZACHSA-N 2 0 235.335 0.476 20 0 BCADRP C[C@@]1(CN[C@H](C[NH3+])C(F)(F)F)CCC[NH2+]C1 ZINC000904377454 584875859 /nfs/dbraw/zinc/87/58/59/584875859.db2.gz PWOXASOAWAGGCP-RKDXNWHRSA-N 2 0 239.285 0.855 20 0 BCADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1COCCO1 ZINC000904377774 584875867 /nfs/dbraw/zinc/87/58/67/584875867.db2.gz YOSPCGAPUWLHNE-OUAUKWLOSA-N 2 0 214.309 0.071 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904380352 584876586 /nfs/dbraw/zinc/87/65/86/584876586.db2.gz AVMHREZKVXYUSZ-MPZDIEGVSA-N 3 0 223.364 0.655 20 0 BCADRP [NH3+]Cc1ccc(CNCC2([NH3+])CCOCC2)cc1 ZINC000904380877 584876778 /nfs/dbraw/zinc/87/67/78/584876778.db2.gz PAUJMTDOJQPMLO-UHFFFAOYSA-N 2 0 249.358 0.743 20 0 BCADRP COC[C@H]([NH2+]C1CC(C[NH3+])C1)[C@@H]1CCCOC1 ZINC000904385794 584877643 /nfs/dbraw/zinc/87/76/43/584877643.db2.gz GIBFOODPRHDUJD-KPFVRQRISA-N 2 0 242.363 0.755 20 0 BCADRP [NH3+]CC1CC([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)C1 ZINC000904385149 584877682 /nfs/dbraw/zinc/87/76/82/584877682.db2.gz SWXLUAKYGSRJTQ-CHIXHJKISA-N 2 0 222.332 0.737 20 0 BCADRP C[C@H]([NH2+]C1CC(C[NH3+])C1)C1CC[NH2+]CC1 ZINC000904385419 584877685 /nfs/dbraw/zinc/87/76/85/584877685.db2.gz YGHOMOUQANLFNF-BMQDGWLCSA-N 3 0 211.353 0.701 20 0 BCADRP COC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCOC1 ZINC000904385976 584877911 /nfs/dbraw/zinc/87/79/11/584877911.db2.gz LSLABXYHGIVALP-WUHRBBMRSA-N 2 0 242.363 0.755 20 0 BCADRP Cc1nc([C@H]2CC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)no1 ZINC000904388151 584878037 /nfs/dbraw/zinc/87/80/37/584878037.db2.gz FDKJXBKSYLOKNP-GARJFASQSA-N 2 0 236.319 0.905 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)C1 ZINC000904385666 584878090 /nfs/dbraw/zinc/87/80/90/584878090.db2.gz BGPVAVMYXWGJKW-HGCLJGPKSA-N 2 0 210.321 0.426 20 0 BCADRP C[C@@]1(CN2CCC[C@@]([NH3+])(CO)C2)CCC[NH2+]C1 ZINC000904407063 584878323 /nfs/dbraw/zinc/87/83/23/584878323.db2.gz MQEFTRUFAUNLQT-OLZOCXBDSA-N 2 0 241.379 0.162 20 0 BCADRP CC(C)[C@@H](C[NH3+])C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904407099 584878469 /nfs/dbraw/zinc/87/84/69/584878469.db2.gz NIJKLFFJXXCCQK-NEPJUHHUSA-N 3 0 213.369 0.888 20 0 BCADRP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904407100 584878526 /nfs/dbraw/zinc/87/85/26/584878526.db2.gz NIJKLFFJXXCCQK-NWDGAFQWSA-N 3 0 213.369 0.888 20 0 BCADRP C[C@@H]1C[N@H+](CC2(C[NH3+])CC2)CC[C@@H]1C[NH3+] ZINC000904410583 584878836 /nfs/dbraw/zinc/87/88/36/584878836.db2.gz PAXIPLQQJDAOOW-GHMZBOCLSA-N 3 0 211.353 0.642 20 0 BCADRP C[C@@H]1CN(CC23CC(C2)C[NH2+]3)CC[C@@H]1C[NH3+] ZINC000904409571 584879029 /nfs/dbraw/zinc/87/90/29/584879029.db2.gz CMURCODZICLASV-CQLXCSJHSA-N 2 0 223.364 0.655 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1CCC[C@@]([NH3+])(CO)C1 ZINC000904407643 584879299 /nfs/dbraw/zinc/87/92/99/584879299.db2.gz YAACFAAILYXCEI-NEPJUHHUSA-N 2 0 229.368 0.145 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1[NH3+] ZINC000904415387 584880447 /nfs/dbraw/zinc/88/04/47/584880447.db2.gz GUUMQBUJJWONIS-WRWGMCAJSA-N 2 0 211.353 0.654 20 0 BCADRP C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1CCOC1 ZINC000904420213 584881906 /nfs/dbraw/zinc/88/19/06/584881906.db2.gz GTYXPTWUAJDRRU-FRRDWIJNSA-N 2 0 224.348 0.954 20 0 BCADRP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[NH2+]1 ZINC000904420504 584882165 /nfs/dbraw/zinc/88/21/65/584882165.db2.gz QVLCJRVHZZFPTH-XDQVBPFNSA-N 3 0 237.391 0.916 20 0 BCADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N[C@H]1CC[NH2+]C1 ZINC000876511040 584885475 /nfs/dbraw/zinc/88/54/75/584885475.db2.gz UJNVQDZWNXSLRR-WZQADMAKSA-N 2 0 223.320 0.020 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876515921 584885480 /nfs/dbraw/zinc/88/54/80/584885480.db2.gz ZYWWGKBZEARKKO-XLMCQVRKSA-N 2 0 237.347 0.363 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000876517289 584885632 /nfs/dbraw/zinc/88/56/32/584885632.db2.gz MLBNZFOABGEQJJ-WFBLGPOFSA-N 2 0 239.363 0.746 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCC[NH2+]C ZINC000876507512 584885750 /nfs/dbraw/zinc/88/57/50/584885750.db2.gz HWNZKIINLIHAKA-VRJVPJCWSA-N 2 0 225.336 0.124 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876530036 584885974 /nfs/dbraw/zinc/88/59/74/584885974.db2.gz JDTSFHBOKHQZQE-ZJUUUORDSA-N 2 0 245.342 0.568 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876707144 584886857 /nfs/dbraw/zinc/88/68/57/584886857.db2.gz UQTDWTOSQGISNJ-GHMZBOCLSA-N 2 0 245.342 0.392 20 0 BCADRP CC1(C)[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC000876826234 584887291 /nfs/dbraw/zinc/88/72/91/584887291.db2.gz LMROLNDXDMLILL-UTLUCORTSA-N 2 0 225.336 0.228 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000876978985 584888560 /nfs/dbraw/zinc/88/85/60/584888560.db2.gz XVTVSDPIQRSQGX-GRZMOONWSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@]1(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CCC[NH2+]1 ZINC000876985043 584888629 /nfs/dbraw/zinc/88/86/29/584888629.db2.gz MXQZNMZCSPIRMW-WXHSDQCUSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC000877050096 584889017 /nfs/dbraw/zinc/88/90/17/584889017.db2.gz FKJZUDQFTSUKOJ-KKOKHZNYSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)C=C2CC[NH2+]CC2)C[NH2+]1 ZINC000877052054 584889029 /nfs/dbraw/zinc/88/90/29/584889029.db2.gz OVIWQHUGUJBJLS-PWSUYJOCSA-N 2 0 237.347 0.553 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000877081426 584889753 /nfs/dbraw/zinc/88/97/53/584889753.db2.gz AWRGAOXEDCFLNT-HBNTYKKESA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N(C)C[C@H](C)[NH3+] ZINC000877106042 584890231 /nfs/dbraw/zinc/89/02/31/584890231.db2.gz OSGUMBKDFMXROQ-UWVGGRQHSA-N 2 0 215.341 0.556 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000877108782 584890338 /nfs/dbraw/zinc/89/03/38/584890338.db2.gz WUFRTWNPQAORQJ-PFDYWKIBSA-N 2 0 225.336 0.348 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884043375 584940459 /nfs/dbraw/zinc/94/04/59/584940459.db2.gz UUGWBTIOBPXFGB-MNOVXSKESA-N 2 0 227.352 0.748 20 0 BCADRP CC(=O)NCCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000741250973 585111855 /nfs/dbraw/zinc/11/18/55/585111855.db2.gz KZIIVZKZVVSVRX-ZDUSSCGKSA-N 2 0 241.379 0.786 20 0 BCADRP Cc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)nc(N)[nH+]1 ZINC000742415271 585126051 /nfs/dbraw/zinc/12/60/51/585126051.db2.gz AYTWLWTWTLNNNH-LLVKDONJSA-N 2 0 245.330 0.818 20 0 BCADRP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC000886349174 585134299 /nfs/dbraw/zinc/13/42/99/585134299.db2.gz ZROGNWNOZWTREN-PHIMTYICSA-N 2 0 237.347 0.149 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=S)NCC[NH+](C)C ZINC000743579874 585137991 /nfs/dbraw/zinc/13/79/91/585137991.db2.gz MTQXRPZRNXYLLR-SNVBAGLBSA-N 2 0 246.424 0.352 20 0 BCADRP C[C@@H](CNC(=O)[C@H](C)[NH+](C)C)[NH+]1CCCCC1 ZINC000750610203 585217800 /nfs/dbraw/zinc/21/78/00/585217800.db2.gz NBRFRCNZYKNRDR-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP C[N@@H+]1CCCC[C@H]1CCN1CCCNC(=O)C1 ZINC000760830468 585398547 /nfs/dbraw/zinc/39/85/47/585398547.db2.gz GZQJZQZTEOQILO-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP Cc1nccn1CCC[N@@H+]1CCCNC(=O)C1 ZINC000762916907 585439225 /nfs/dbraw/zinc/43/92/25/585439225.db2.gz JDYDVKINQUIMSK-UHFFFAOYSA-N 2 0 236.319 0.404 20 0 BCADRP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@H+](C)C2)CCC1 ZINC000763040862 585442091 /nfs/dbraw/zinc/44/20/91/585442091.db2.gz ALIOILYJVVTJOP-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC000769933166 585566091 /nfs/dbraw/zinc/56/60/91/585566091.db2.gz FDAOHGMTDOCEMU-NSHDSACASA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC000805423053 585591864 /nfs/dbraw/zinc/59/18/64/585591864.db2.gz OHAIPQIBAAQRHT-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP OC[C@@H]([NH2+]CCC[NH2+][C@H](CO)C1CC1)C1CC1 ZINC000771809118 585600627 /nfs/dbraw/zinc/60/06/27/585600627.db2.gz QTLUTYRDSVQAEM-CHWSQXEVSA-N 2 0 242.363 0.098 20 0 BCADRP CC(C)[N@H+](C)CCC[NH2+]C1CCN(C=O)CC1 ZINC000774113252 585650531 /nfs/dbraw/zinc/65/05/31/585650531.db2.gz CQLAAAXVUHSPOO-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCO)C1 ZINC000779339869 585751468 /nfs/dbraw/zinc/75/14/68/585751468.db2.gz GFYUGOIOJQFNEO-MNOVXSKESA-N 2 0 200.326 0.689 20 0 BCADRP C[C@@H](CCO)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000779404893 585753564 /nfs/dbraw/zinc/75/35/64/585753564.db2.gz MOHLAPZTZSZWFN-QWHCGFSZSA-N 2 0 244.379 0.584 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)CCO ZINC000779405331 585753691 /nfs/dbraw/zinc/75/36/91/585753691.db2.gz WTPBFGJWYSQXQP-RYUDHWBXSA-N 2 0 232.368 0.704 20 0 BCADRP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CCN1CCCC1 ZINC000794577402 586045197 /nfs/dbraw/zinc/04/51/97/586045197.db2.gz QLGBIMAKBFAILN-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[N@@H+]1C[C@H]2CCN(CC[NH+]3CCCC3)[C@@H]2C1 ZINC000794953046 586057967 /nfs/dbraw/zinc/05/79/67/586057967.db2.gz HSKRMKASHJPYOJ-CHWSQXEVSA-N 2 0 223.364 0.718 20 0 BCADRP COC(=O)[C@H]1[C@@H]2C[N@@H+](CCCn3ccnc3)C[C@@H]21 ZINC000794981400 586061303 /nfs/dbraw/zinc/06/13/03/586061303.db2.gz CQLBSSNIFQVAEL-GDNZZTSVSA-N 2 0 249.314 0.624 20 0 BCADRP C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000795140556 586069187 /nfs/dbraw/zinc/06/91/87/586069187.db2.gz OVTQZSSHOUOQMN-NWDGAFQWSA-N 2 0 235.331 0.973 20 0 BCADRP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000795140557 586069229 /nfs/dbraw/zinc/06/92/29/586069229.db2.gz OVTQZSSHOUOQMN-RYUDHWBXSA-N 2 0 235.331 0.973 20 0 BCADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH+](C)C ZINC000816832836 586766908 /nfs/dbraw/zinc/76/69/08/586766908.db2.gz OKYCWAFAKCVJPH-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP CN1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000817888520 586831773 /nfs/dbraw/zinc/83/17/73/586831773.db2.gz HGLLXMXHQMHZAD-QJPTWQEYSA-N 2 0 211.353 0.940 20 0 BCADRP C[C@@H](N[C@H]1CC[N@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000817890756 586833218 /nfs/dbraw/zinc/83/32/18/586833218.db2.gz YMMVWWHRWSOOEM-GRYCIOLGSA-N 2 0 211.353 0.811 20 0 BCADRP COC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000817902934 586836326 /nfs/dbraw/zinc/83/63/26/586836326.db2.gz BYBNKHJAZJCTBW-GARJFASQSA-N 2 0 241.335 0.687 20 0 BCADRP C[C@@H]([NH2+][C@@H](CCO)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000817919707 586840091 /nfs/dbraw/zinc/84/00/91/586840091.db2.gz UIRZQRIBHWZMGN-USWWRNFRSA-N 2 0 212.337 0.878 20 0 BCADRP C[C@H]([NH2+][C@@H](CCO)C1CC1)[C@H]1CCC[NH2+]1 ZINC000817919708 586840252 /nfs/dbraw/zinc/84/02/52/586840252.db2.gz UIRZQRIBHWZMGN-WCQGTBRESA-N 2 0 212.337 0.878 20 0 BCADRP CCCCC[C@@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000817946275 586847084 /nfs/dbraw/zinc/84/70/84/586847084.db2.gz VDIJZXBURCOVAN-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818536265 586899183 /nfs/dbraw/zinc/89/91/83/586899183.db2.gz PXZCGZYGCPJTBY-JTQLQIEISA-N 2 0 235.331 0.399 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cccc(C[NH3+])c2)C1 ZINC000818565124 586901830 /nfs/dbraw/zinc/90/18/30/586901830.db2.gz PIZHLBZDYJMJBC-GWCFXTLKSA-N 2 0 247.342 0.955 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)c2cccc(C[NH3+])c2)C1 ZINC000818594578 586904769 /nfs/dbraw/zinc/90/47/69/586904769.db2.gz RGYKCUIBVXLTOV-AWEZNQCLSA-N 2 0 247.342 0.956 20 0 BCADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH+](C)C ZINC000823095870 587202300 /nfs/dbraw/zinc/20/23/00/587202300.db2.gz WUCOOAQCUZGVME-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH+](C)C ZINC000824041389 587250679 /nfs/dbraw/zinc/25/06/79/587250679.db2.gz KPBYXFVAHHVXLP-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)[NH+](C)C ZINC000827233480 587373311 /nfs/dbraw/zinc/37/33/11/587373311.db2.gz PYUZKCOZYUDOLQ-SDDRHHMPSA-N 2 0 239.363 0.489 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000827777017 587401578 /nfs/dbraw/zinc/40/15/78/587401578.db2.gz KJTQISWFHXUCIG-JQWIXIFHSA-N 2 0 245.342 0.535 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(CC[S@@](C)=O)C1 ZINC000827919982 587409791 /nfs/dbraw/zinc/40/97/91/587409791.db2.gz RWNASUIBAJGPBJ-IINYFYTJSA-N 2 0 218.366 0.248 20 0 BCADRP C[NH+](C)C[C@H]1CCN(CC[S@@](C)=O)C1 ZINC000827919983 587410003 /nfs/dbraw/zinc/41/00/03/587410003.db2.gz RWNASUIBAJGPBJ-QMTHXVAHSA-N 2 0 218.366 0.248 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)CC[N@@H+]1C ZINC000830463204 587551835 /nfs/dbraw/zinc/55/18/35/587551835.db2.gz LHDYPEXRVQJWBU-CKYFFXLPSA-N 2 0 243.326 0.287 20 0 BCADRP C[NH2+]CCCNC(=O)NCCCCCC[NH3+] ZINC000831172496 587589133 /nfs/dbraw/zinc/58/91/33/587589133.db2.gz IYSOCFRDTUGXJY-UHFFFAOYSA-N 2 0 230.356 0.414 20 0 BCADRP [NH3+]C/C=C\CNC(=O)NCCCCCC[NH3+] ZINC000831191507 587590913 /nfs/dbraw/zinc/59/09/13/587590913.db2.gz NVHDWWSPUDNYEI-XQRVVYSFSA-N 2 0 228.340 0.320 20 0 BCADRP [NH3+]CCCCCCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000831191125 587590912 /nfs/dbraw/zinc/59/09/12/587590912.db2.gz GVJIUMPLOAOZSB-URLYPYJESA-N 2 0 240.351 0.023 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)NCCCCCC[NH3+] ZINC000831196939 587591438 /nfs/dbraw/zinc/59/14/38/587591438.db2.gz HCMZOSKPTUENGD-LLVKDONJSA-N 2 0 244.383 0.932 20 0 BCADRP [NH3+]CCCCCCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000831292337 587595951 /nfs/dbraw/zinc/59/59/51/587595951.db2.gz YGGRGNSYPHUPQS-JTQLQIEISA-N 2 0 228.340 0.248 20 0 BCADRP C[C@@H]1CN(C(=O)CCCCC[NH3+])[C@@H](C)C[NH2+]1 ZINC000831540220 587617811 /nfs/dbraw/zinc/61/78/11/587617811.db2.gz MHLIWCYDEFUQIY-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+][C@@H](CC(=O)N1CC[C@]2(CC[NH2+]C2)C1)C1CC1 ZINC000831578251 587620040 /nfs/dbraw/zinc/62/00/40/587620040.db2.gz LAXNWXYZXFTQHC-AAEUAGOBSA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+][C@@H](CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C1CC1 ZINC000831578253 587620224 /nfs/dbraw/zinc/62/02/24/587620224.db2.gz LAXNWXYZXFTQHC-WCQYABFASA-N 2 0 237.347 0.326 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C[C@@H]([NH3+])C1CC1)C1CC1 ZINC000831860128 587634663 /nfs/dbraw/zinc/63/46/63/587634663.db2.gz KSIJCMGYEZMJLY-VXGBXAGGSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831971439 587640348 /nfs/dbraw/zinc/64/03/48/587640348.db2.gz XLUXXLKJWQKWJW-QWRGUYRKSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831970604 587640520 /nfs/dbraw/zinc/64/05/20/587640520.db2.gz JJTZXWCULULILF-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000831971462 587640752 /nfs/dbraw/zinc/64/07/52/587640752.db2.gz XXJNZRAGARWUHD-JQWIXIFHSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831971148 587640904 /nfs/dbraw/zinc/64/09/04/587640904.db2.gz STNYKUBLYKDOPP-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH3+] ZINC000832231404 587651675 /nfs/dbraw/zinc/65/16/75/587651675.db2.gz HMICOBVOWQWGQG-UHFFFAOYSA-N 2 0 229.368 0.964 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000832458419 587661215 /nfs/dbraw/zinc/66/12/15/587661215.db2.gz GTRTWGXZZOPTHC-NXEZZACHSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]Cc1cccc(C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000832526497 587665145 /nfs/dbraw/zinc/66/51/45/587665145.db2.gz JBMDFSCBCFZFAB-NSHDSACASA-N 2 0 219.288 0.319 20 0 BCADRP CC[C@@H]([NH3+])C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000832607229 587669072 /nfs/dbraw/zinc/66/90/72/587669072.db2.gz VAXUHPHICORIMS-LLVKDONJSA-N 2 0 237.303 0.700 20 0 BCADRP [NH3+][C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000832808939 587691262 /nfs/dbraw/zinc/69/12/62/587691262.db2.gz XOKPYSMPKFDZDK-WOPDTQHZSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CCC([NH3+])CC1 ZINC000832828713 587692652 /nfs/dbraw/zinc/69/26/52/587692652.db2.gz KQARZFGZXHPJGE-WNYYMSAVSA-N 2 0 239.363 0.713 20 0 BCADRP CN(C(=O)C[NH2+]CC1CC1)C1CCC([NH3+])CC1 ZINC000832829403 587692913 /nfs/dbraw/zinc/69/29/13/587692913.db2.gz VTJFYTPVGQANAY-UHFFFAOYSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]CCN(C)C(=O)c1cccc(C[NH3+])c1 ZINC000834419742 587754883 /nfs/dbraw/zinc/75/48/83/587754883.db2.gz YONDQWJHWOIVAH-UHFFFAOYSA-N 2 0 221.304 0.437 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000834419657 587754966 /nfs/dbraw/zinc/75/49/66/587754966.db2.gz FJUXZKHCMRPNNX-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP C[NH2+]CCC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000834448521 587755480 /nfs/dbraw/zinc/75/54/80/587755480.db2.gz QJSCBXMDOSPZAO-UHFFFAOYSA-N 2 0 225.336 0.198 20 0 BCADRP CC1(CNC(=O)C[C@H]([NH3+])C2CC2)CC[NH2+]CC1 ZINC000834472964 587755870 /nfs/dbraw/zinc/75/58/70/587755870.db2.gz UAKGLMOGQBJARS-NSHDSACASA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+][C@@H](CC(=O)NCC1=CC[NH2+]CC1)C1CC1 ZINC000834543929 587759154 /nfs/dbraw/zinc/75/91/54/587759154.db2.gz WIJUDXWAVOPHHD-NSHDSACASA-N 2 0 223.320 0.150 20 0 BCADRP [NH3+][C@@H](CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000834599898 587760230 /nfs/dbraw/zinc/76/02/30/587760230.db2.gz SAVDPAWPFGBZBD-MXWKQRLJSA-N 2 0 225.336 0.500 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000834598256 587760335 /nfs/dbraw/zinc/76/03/35/587760335.db2.gz ANPNPWWUQXYJLW-MNOVXSKESA-N 2 0 227.352 0.892 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000834608797 587760640 /nfs/dbraw/zinc/76/06/40/587760640.db2.gz SCPLBUVHXVUWQB-UWVGGRQHSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CCCCC[NH3+])CC[NH2+]1 ZINC000834672919 587763589 /nfs/dbraw/zinc/76/35/89/587763589.db2.gz KEFSUWZXDHSSJG-GHMZBOCLSA-N 2 0 227.352 0.762 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000834722980 587764975 /nfs/dbraw/zinc/76/49/75/587764975.db2.gz LMDJKWWNEQDCES-ZYHUDNBSSA-N 2 0 225.336 0.311 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)CCCCC[NH3+] ZINC000834820925 587767655 /nfs/dbraw/zinc/76/76/55/587767655.db2.gz GOHWZSBIFCMHMW-BDAKNGLRSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)CCCCC[NH3+] ZINC000834820927 587767726 /nfs/dbraw/zinc/76/77/26/587767726.db2.gz GOHWZSBIFCMHMW-IUCAKERBSA-N 2 0 201.314 0.357 20 0 BCADRP [NH3+][C@H](CC(=O)N[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000834846306 587768602 /nfs/dbraw/zinc/76/86/02/587768602.db2.gz RUTOHYDGCIZHCU-BDAKNGLRSA-N 2 0 247.289 0.227 20 0 BCADRP C[C@H](CNC(=O)NC[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000841723867 587972919 /nfs/dbraw/zinc/97/29/19/587972919.db2.gz BADUPLHCDHFVLC-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000841723864 587973353 /nfs/dbraw/zinc/97/33/53/587973353.db2.gz BADUPLHCDHFVLC-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000841847656 587977107 /nfs/dbraw/zinc/97/71/07/587977107.db2.gz FSHNVNMQMDOUAB-NSHDSACASA-N 2 0 221.304 0.412 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C[C@H]([NH3+])C1CC1 ZINC000841848218 587977142 /nfs/dbraw/zinc/97/71/42/587977142.db2.gz CIDCOPMWXSGLRX-QWRGUYRKSA-N 2 0 227.352 0.748 20 0 BCADRP [NH3+]CCc1ccc(CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000841845744 587977296 /nfs/dbraw/zinc/97/72/96/587977296.db2.gz IVBFOQSHTYFMJW-ZDUSSCGKSA-N 2 0 247.342 0.556 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000841850199 587977903 /nfs/dbraw/zinc/97/79/03/587977903.db2.gz DGJYUQKXBPTMEU-LSJOCFKGSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)C[C@H]([NH3+])C2CC2)[C@H]1C ZINC000841850320 587977950 /nfs/dbraw/zinc/97/79/50/587977950.db2.gz KUJSYIGFPAEQIV-QXEWZRGKSA-N 2 0 225.336 0.323 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000841852172 587978255 /nfs/dbraw/zinc/97/82/55/587978255.db2.gz GSHJFOUKRRPGOU-RKDXNWHRSA-N 2 0 249.305 0.473 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000841850446 587978370 /nfs/dbraw/zinc/97/83/70/587978370.db2.gz VOTKFXPWUMKYRB-JOYOIKCWSA-N 2 0 233.315 0.337 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000841851749 587978494 /nfs/dbraw/zinc/97/84/94/587978494.db2.gz PHDDUNVHMZVMTM-GWCFXTLKSA-N 2 0 247.342 0.873 20 0 BCADRP CN(C(=O)C[C@H]([NH3+])C1CC1)C1CC([NH3+])C1 ZINC000841852483 587978585 /nfs/dbraw/zinc/97/85/85/587978585.db2.gz KZWCQAGHUDROCU-RTBKNWGFSA-N 2 0 211.309 0.062 20 0 BCADRP CCCCOC(=O)CCN(C)CC[NH2+]C ZINC000842473400 588028981 /nfs/dbraw/zinc/02/89/81/588028981.db2.gz CVCHHMSRHQCVBW-UHFFFAOYSA-N 2 0 216.325 0.871 20 0 BCADRP CCCCOC(=O)CCN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000842474589 588028999 /nfs/dbraw/zinc/02/89/99/588028999.db2.gz ARWRWHMNADWAJH-GHMZBOCLSA-N 2 0 228.336 0.999 20 0 BCADRP CCCN(C)C(=O)N(CCC[NH3+])CCC[NH3+] ZINC000842482744 588030100 /nfs/dbraw/zinc/03/01/00/588030100.db2.gz XMRYYAXMHOQTKX-UHFFFAOYSA-N 2 0 230.356 0.448 20 0 BCADRP CN(C(=O)CCCCC[NH3+])[C@H](C[NH3+])C1CC1 ZINC000842510643 588031789 /nfs/dbraw/zinc/03/17/89/588031789.db2.gz SIMVKPZQOLLRQX-LLVKDONJSA-N 2 0 227.352 0.701 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842511791 588032259 /nfs/dbraw/zinc/03/22/59/588032259.db2.gz GDHLHKQYBKHROB-GFCCVEGCSA-N 2 0 225.336 0.468 20 0 BCADRP O=C(N1CC[C@@]2(CCC[NH2+]2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000842514529 588032317 /nfs/dbraw/zinc/03/23/17/588032317.db2.gz XOEFKZLCVLNZKG-NWDGAFQWSA-N 2 0 241.310 0.043 20 0 BCADRP CN(C(=O)c1cccc(C[NH3+])c1)[C@H](C[NH3+])C1CC1 ZINC000842510955 588032339 /nfs/dbraw/zinc/03/23/39/588032339.db2.gz VOVNWAFNIGDFSH-CYBMUJFWSA-N 2 0 247.342 0.955 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842511795 588032459 /nfs/dbraw/zinc/03/24/59/588032459.db2.gz GDHLHKQYBKHROB-LBPRGKRZSA-N 2 0 225.336 0.468 20 0 BCADRP C[NH2+][C@@H](C)Cc1noc(CCCCC[NH3+])n1 ZINC000842630934 588044937 /nfs/dbraw/zinc/04/49/37/588044937.db2.gz ILJKDWBJPWZGJM-VIFPVBQESA-N 2 0 226.324 0.892 20 0 BCADRP [NH3+][C@H](Cc1nc([C@H]2CCC[NH2+]2)no1)C1CC1 ZINC000842640674 588048288 /nfs/dbraw/zinc/04/82/88/588048288.db2.gz BAJPFNUVNKSDPL-RKDXNWHRSA-N 2 0 222.292 0.774 20 0 BCADRP FC(F)[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000843119608 588083997 /nfs/dbraw/zinc/08/39/97/588083997.db2.gz VKQBAYKQONGYHC-JTQLQIEISA-N 2 0 234.290 0.952 20 0 BCADRP C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC000843126015 588084128 /nfs/dbraw/zinc/08/41/28/588084128.db2.gz MHYNXNIMVDYUHV-WRWGMCAJSA-N 2 0 211.353 0.857 20 0 BCADRP Cn1cc(C[NH2+]CCCCCC[NH3+])nn1 ZINC000843126190 588084269 /nfs/dbraw/zinc/08/42/69/588084269.db2.gz CATUUXYCMINFHN-UHFFFAOYSA-N 2 0 211.313 0.424 20 0 BCADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]CCCCCC[NH3+] ZINC000843344032 588101366 /nfs/dbraw/zinc/10/13/66/588101366.db2.gz MQIXIQWDVLALHC-QWHCGFSZSA-N 2 0 243.395 0.862 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)C[C@@H]([NH3+])C1CC1)C1CC1 ZINC000843344127 588101490 /nfs/dbraw/zinc/10/14/90/588101490.db2.gz MSPFJLOOXDKMPE-PWSUYJOCSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CN(CCCCCCC[NH3+])CCO1 ZINC000843356611 588103894 /nfs/dbraw/zinc/10/38/94/588103894.db2.gz YQSNNJPBJHGSGE-CHWSQXEVSA-N 2 0 243.395 0.944 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(CCCCCCC[NH3+])CCO1 ZINC000843356614 588103980 /nfs/dbraw/zinc/10/39/80/588103980.db2.gz YQSNNJPBJHGSGE-STQMWFEESA-N 2 0 243.395 0.944 20 0 BCADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CC[NH2+]C1 ZINC000843360155 588104306 /nfs/dbraw/zinc/10/43/06/588104306.db2.gz BROOWQSNGJFYKS-ODWCKFRGSA-N 2 0 223.364 0.940 20 0 BCADRP CC1(NC(=O)C[C@@H]([NH3+])C2CC2)CC[NH2+]CC1 ZINC000843470736 588113534 /nfs/dbraw/zinc/11/35/34/588113534.db2.gz BELFQOIFFDUOAN-SNVBAGLBSA-N 2 0 225.336 0.372 20 0 BCADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843472828 588113683 /nfs/dbraw/zinc/11/36/83/588113683.db2.gz ACNKLONGEIRYBG-SFTQSGBHSA-N 2 0 249.358 0.054 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)CCCCC[NH3+] ZINC000843483996 588114283 /nfs/dbraw/zinc/11/42/83/588114283.db2.gz GPIVCFXCFNQOLU-SNVBAGLBSA-N 2 0 227.352 0.762 20 0 BCADRP CC[NH2+]CC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000843482335 588114377 /nfs/dbraw/zinc/11/43/77/588114377.db2.gz QYCJDTCTNVRQCH-UHFFFAOYSA-N 2 0 225.336 0.198 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)CCCCC[NH3+] ZINC000843501118 588116693 /nfs/dbraw/zinc/11/66/93/588116693.db2.gz DVZATIKFRRPEPR-UHFFFAOYSA-N 2 0 215.341 0.749 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NCCCCCC[NH3+] ZINC000843511442 588115464 /nfs/dbraw/zinc/11/54/64/588115464.db2.gz DXIIULAOMROIDL-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000843505694 588117324 /nfs/dbraw/zinc/11/73/24/588117324.db2.gz IMKZPASFYXKBDG-LLVKDONJSA-N 2 0 227.352 0.621 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000843504971 588117360 /nfs/dbraw/zinc/11/73/60/588117360.db2.gz AYOKQIBHJUCDFY-NSHDSACASA-N 2 0 227.352 0.764 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000843512490 588117623 /nfs/dbraw/zinc/11/76/23/588117623.db2.gz NIXKPCCJLJVEOR-QMMMGPOBSA-N 2 0 237.294 0.604 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)C[C@@H]([NH3+])C2CC2)cc1 ZINC000843512411 588117738 /nfs/dbraw/zinc/11/77/38/588117738.db2.gz KOLAPMWJCCZBKE-CYBMUJFWSA-N 2 0 247.342 0.889 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCCCCCC[NH3+] ZINC000843511682 588117800 /nfs/dbraw/zinc/11/78/00/588117800.db2.gz HFKGTIUCGCSGLR-SECBINFHSA-N 2 0 201.314 0.217 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCCCCC[NH3+] ZINC000843512824 588118104 /nfs/dbraw/zinc/11/81/04/588118104.db2.gz RGOUZKOXVCWJQX-UWVGGRQHSA-N 2 0 215.341 0.605 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000844178339 588172065 /nfs/dbraw/zinc/17/20/65/588172065.db2.gz PKSXADYSJWHLBZ-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+]CC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000844175160 588172220 /nfs/dbraw/zinc/17/22/20/588172220.db2.gz BSERAGHKKXYGRD-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000844178338 588172258 /nfs/dbraw/zinc/17/22/58/588172258.db2.gz PKRIHSBXQPDOGP-ZYHUDNBSSA-N 2 0 243.326 0.146 20 0 BCADRP CC[NH2+]CC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000844191306 588173028 /nfs/dbraw/zinc/17/30/28/588173028.db2.gz LGGRJESLDYPXLT-UHFFFAOYSA-N 2 0 248.330 0.340 20 0 BCADRP C[C@@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[NH+](C)C ZINC000844196095 588173321 /nfs/dbraw/zinc/17/33/21/588173321.db2.gz BKZLHIMEFHPHAC-WCQYABFASA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+]CCCCCCN1CCO[C@@H](C[NH3+])C1 ZINC000846220811 588261043 /nfs/dbraw/zinc/26/10/43/588261043.db2.gz VFMIKJMDUKKLJL-NSHDSACASA-N 2 0 215.341 0.165 20 0 BCADRP C[C@H]1C(=O)NCCC[N@H+]1CCCCCC[NH3+] ZINC000846221309 588261482 /nfs/dbraw/zinc/26/14/82/588261482.db2.gz WOEKCAKUJIKNSI-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP CC[NH2+]CC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000846680230 588282190 /nfs/dbraw/zinc/28/21/90/588282190.db2.gz DWIWONQWPXMQEX-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])c(F)c1 ZINC000846693421 588283082 /nfs/dbraw/zinc/28/30/82/588283082.db2.gz ISCJIZRJYPWZKI-KOLCDFICSA-N 2 0 237.278 0.248 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000846696145 588283504 /nfs/dbraw/zinc/28/35/04/588283504.db2.gz XRZISAZNBAVSGE-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000846741409 588284029 /nfs/dbraw/zinc/28/40/29/588284029.db2.gz BILBAPYSSKQGGM-SRVKXCTJSA-N 2 0 239.363 0.857 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000848418524 588382551 /nfs/dbraw/zinc/38/25/51/588382551.db2.gz NBODKLDTGIMIGC-PWSUYJOCSA-N 2 0 225.336 0.054 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000848431876 588384375 /nfs/dbraw/zinc/38/43/75/588384375.db2.gz PYXGIZCSQSASDD-UMNHJUIQSA-N 2 0 243.326 0.144 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000848438403 588385106 /nfs/dbraw/zinc/38/51/06/588385106.db2.gz SOEKZAFZKLRXAM-FSPLSTOPSA-N 2 0 239.241 0.133 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000848675963 588405140 /nfs/dbraw/zinc/40/51/40/588405140.db2.gz GTRNLSRBWIEIFD-WCQGTBRESA-N 2 0 212.337 0.687 20 0 BCADRP CC1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)OCCCO1 ZINC000848722138 588408467 /nfs/dbraw/zinc/40/84/67/588408467.db2.gz KDYRCZKJVQBTLD-MNOVXSKESA-N 2 0 228.336 0.999 20 0 BCADRP CC[NH+](CC)CCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000848980564 588423282 /nfs/dbraw/zinc/42/32/82/588423282.db2.gz DJTRLKTXDSXBJJ-NSHDSACASA-N 2 0 242.367 0.621 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCC1 ZINC000848980967 588423779 /nfs/dbraw/zinc/42/37/79/588423779.db2.gz NEDUDQMBEIPJNI-SNVBAGLBSA-N 2 0 210.325 0.701 20 0 BCADRP CNC(=[NH2+])NCCC[NH+]1CCC(C)CC1 ZINC000848982667 588424639 /nfs/dbraw/zinc/42/46/39/588424639.db2.gz SYOYRJBBGNKXKL-UHFFFAOYSA-N 2 0 212.341 0.852 20 0 BCADRP CCNC(=[NH2+])NCC(C)(C)N1CC[NH+](C)CC1 ZINC000848984118 588424935 /nfs/dbraw/zinc/42/49/35/588424935.db2.gz QGMWFWOXZPJSPL-UHFFFAOYSA-N 2 0 241.383 0.146 20 0 BCADRP CC[C@H](CNC1=[NH+]CCN1C)[NH+]1CCCC1 ZINC000848986320 588425675 /nfs/dbraw/zinc/42/56/75/588425675.db2.gz CBSLQRDJOYDMKO-LLVKDONJSA-N 2 0 224.352 0.752 20 0 BCADRP COCCNC(=[NH2+])NCC[N@@H+]1CCC[C@H](C)C1 ZINC000848987664 588426524 /nfs/dbraw/zinc/42/65/24/588426524.db2.gz OKAYMRZVOGLRFM-NSHDSACASA-N 2 0 242.367 0.479 20 0 BCADRP C[NH+](C)CCCCNC(=[NH2+])NC1CCC1 ZINC000848989793 588426739 /nfs/dbraw/zinc/42/67/39/588426739.db2.gz BLYXEAAYODEFJR-UHFFFAOYSA-N 2 0 212.341 0.995 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCC2)C1 ZINC000848992601 588427931 /nfs/dbraw/zinc/42/79/31/588427931.db2.gz MMVPWGWWFHQGEX-JTQLQIEISA-N 2 0 210.325 0.558 20 0 BCADRP CCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000848994473 588428332 /nfs/dbraw/zinc/42/83/32/588428332.db2.gz KUZFBHFMRNYCSB-LLVKDONJSA-N 2 0 241.383 0.004 20 0 BCADRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCC2)C1 ZINC000848997353 588429589 /nfs/dbraw/zinc/42/95/89/588429589.db2.gz BEQJLUJLSPFDSF-NSHDSACASA-N 2 0 224.352 0.948 20 0 BCADRP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCC1 ZINC000849001963 588431109 /nfs/dbraw/zinc/43/11/09/588431109.db2.gz WCINNQSCZPHDGG-NSHDSACASA-N 2 0 240.351 0.327 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)CNC1=[NH+]C[C@H](C)N1 ZINC000849011975 588435444 /nfs/dbraw/zinc/43/54/44/588435444.db2.gz AWPSBTBIYIFJBE-QWRGUYRKSA-N 2 0 242.367 0.281 20 0 BCADRP COC[C@@H](C)NC(=[NH2+])NCC1([NH+](C)C)CCC1 ZINC000849020653 588438520 /nfs/dbraw/zinc/43/85/20/588438520.db2.gz SDKJBFDVCNMCKL-SNVBAGLBSA-N 2 0 242.367 0.620 20 0 BCADRP CNC(=[NH2+])NCC1CC[NH+](C2CC2)CC1 ZINC000849022917 588439201 /nfs/dbraw/zinc/43/92/01/588439201.db2.gz QRPKHRZYQANZKP-UHFFFAOYSA-N 2 0 210.325 0.605 20 0 BCADRP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+](C)C ZINC000849030407 588442179 /nfs/dbraw/zinc/44/21/79/588442179.db2.gz OEVYIPDNDSDBQB-NXEZZACHSA-N 2 0 230.356 0.333 20 0 BCADRP COC[C@@H](C)NC(=[NH2+])NC[C@H](C)C[NH+](C)C ZINC000849030419 588442357 /nfs/dbraw/zinc/44/23/57/588442357.db2.gz OEVYIPDNDSDBQB-VHSXEESVSA-N 2 0 230.356 0.333 20 0 BCADRP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)C[NH+](C)C ZINC000849030607 588442647 /nfs/dbraw/zinc/44/26/47/588442647.db2.gz PPDGJXMARSEIFF-MNOVXSKESA-N 2 0 242.367 0.477 20 0 BCADRP C[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)C[NH+](C)C ZINC000849030605 588442729 /nfs/dbraw/zinc/44/27/29/588442729.db2.gz PPDGJXMARSEIFF-GHMZBOCLSA-N 2 0 242.367 0.477 20 0 BCADRP C[N@@H+]1CCC[C@H](CCNC(=[NH2+])NC2CC2)C1 ZINC000849041865 588448352 /nfs/dbraw/zinc/44/83/52/588448352.db2.gz YNEMIYDCAYHSNB-SNVBAGLBSA-N 2 0 224.352 0.995 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=[NH2+])NC2CC2)C1 ZINC000849048431 588451139 /nfs/dbraw/zinc/45/11/39/588451139.db2.gz DZYZFQAGUGOBHH-WAAGHKOSSA-N 2 0 210.325 0.603 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000849049892 588451940 /nfs/dbraw/zinc/45/19/40/588451940.db2.gz WRUVBGGBIMBZIU-JGZJWPJOSA-N 2 0 224.352 0.993 20 0 BCADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+][C@H]2C=CCC2)C1 ZINC000849349520 588474335 /nfs/dbraw/zinc/47/43/35/588474335.db2.gz CBFWXIYVEBWFFN-NEPJUHHUSA-N 2 0 237.347 0.492 20 0 BCADRP CO[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000851732268 588619403 /nfs/dbraw/zinc/61/94/03/588619403.db2.gz NFNFBJBVVWKHOP-WHOHXGKFSA-N 2 0 210.321 0.705 20 0 BCADRP C[N@H+](C[C@@H]1CNCCO1)C1CCC([NH3+])CC1 ZINC000852741625 588698312 /nfs/dbraw/zinc/69/83/12/588698312.db2.gz XBZVHHRDVMNMNY-MCIGGMRASA-N 2 0 227.352 0.177 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCOC(F)F)C1 ZINC000852747015 588699259 /nfs/dbraw/zinc/69/92/59/588699259.db2.gz UNOWJWFYPBZYFW-HTQZYQBOSA-N 2 0 208.252 0.895 20 0 BCADRP [NH3+]CC12CC(C1)C[N@@H+]2CCCCCCO ZINC000852755896 588700459 /nfs/dbraw/zinc/70/04/59/588700459.db2.gz KNODSTXKFOEDOD-UHFFFAOYSA-N 2 0 212.337 0.962 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)NC[C@@H]1CCC[NH2+]1 ZINC000852794784 588703093 /nfs/dbraw/zinc/70/30/93/588703093.db2.gz CRPQWFSKKCPBCG-NSHDSACASA-N 2 0 223.320 0.164 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000852794449 588703260 /nfs/dbraw/zinc/70/32/60/588703260.db2.gz PBAGJPMCBAXTHP-QWRGUYRKSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852793455 588703298 /nfs/dbraw/zinc/70/32/98/588703298.db2.gz BFHAYJZIRHDHPJ-SNVBAGLBSA-N 2 0 223.320 0.117 20 0 BCADRP CN(CCC[NH3+])C(=O)C=C1CC[NH2+]CC1 ZINC000852797971 588703732 /nfs/dbraw/zinc/70/37/32/588703732.db2.gz DMZXRLGOBLVZNL-UHFFFAOYSA-N 2 0 211.309 0.103 20 0 BCADRP C[C@H]1CN(C(=O)C=C2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000852797927 588703798 /nfs/dbraw/zinc/70/37/98/588703798.db2.gz CZLUNVCOVDVKOQ-CMPLNLGQSA-N 2 0 237.347 0.492 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CC23CCCC3)C1 ZINC000852824415 588705814 /nfs/dbraw/zinc/70/58/14/588705814.db2.gz BDFLGBSYYOPECR-QWRGUYRKSA-N 2 0 237.347 0.326 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1[NH2+]CC12CCCC2 ZINC000852825155 588706028 /nfs/dbraw/zinc/70/60/28/588706028.db2.gz LAEJAXIMPUQZDT-WDEREUQCSA-N 2 0 237.347 0.387 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000852834703 588706973 /nfs/dbraw/zinc/70/69/73/588706973.db2.gz XKAZTQKCHJIGGV-CMPLNLGQSA-N 2 0 225.336 0.339 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000852864267 588709076 /nfs/dbraw/zinc/70/90/76/588709076.db2.gz QROOERNIMHCFPU-CMPLNLGQSA-N 2 0 243.326 0.289 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C=C1CC[NH2+]CC1 ZINC000852861673 588709317 /nfs/dbraw/zinc/70/93/17/588709317.db2.gz GXKCTWDKGUDRBR-GFCCVEGCSA-N 2 0 237.347 0.507 20 0 BCADRP [NH3+]CCCCCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000852869301 588709576 /nfs/dbraw/zinc/70/95/76/588709576.db2.gz BTUIKNCNQPBGEU-NXEZZACHSA-N 2 0 231.315 0.403 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C=C1CC[NH2+]CC1 ZINC000852878407 588710621 /nfs/dbraw/zinc/71/06/21/588710621.db2.gz KFPGYYQFSIKFAM-JQWIXIFHSA-N 2 0 237.347 0.410 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)C=C1CC[NH2+]CC1 ZINC000852881777 588710894 /nfs/dbraw/zinc/71/08/94/588710894.db2.gz PQWFIHBMYUMTHS-RKDXNWHRSA-N 2 0 211.309 0.148 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C=C1CC[NH2+]CC1 ZINC000852881487 588711046 /nfs/dbraw/zinc/71/10/46/588711046.db2.gz LKAPXQNXDGBOJF-JTQLQIEISA-N 2 0 211.309 0.150 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852882997 588711252 /nfs/dbraw/zinc/71/12/52/588711252.db2.gz UQSJDARTDLOKJH-NWDGAFQWSA-N 2 0 237.347 0.540 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)NC1CC[NH+](C)CC1 ZINC000861548213 589167761 /nfs/dbraw/zinc/16/77/61/589167761.db2.gz ODHRGQCZDLNJME-VIFPVBQESA-N 2 0 228.340 0.069 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000861574077 589168972 /nfs/dbraw/zinc/16/89/72/589168972.db2.gz OLWNGCGRCYNHKY-UWVGGRQHSA-N 2 0 242.367 0.458 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861600210 589169407 /nfs/dbraw/zinc/16/94/07/589169407.db2.gz KCDGEXMQMCVTME-NSHDSACASA-N 2 0 244.383 0.707 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861641435 589172071 /nfs/dbraw/zinc/17/20/71/589172071.db2.gz SDWBQRUHDFQITI-ZJUUUORDSA-N 2 0 230.356 0.493 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861639058 589172207 /nfs/dbraw/zinc/17/22/07/589172207.db2.gz PWXFLKBXTVGBHW-JTQLQIEISA-N 2 0 230.356 0.363 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)NC1CCC([NH3+])CC1 ZINC000861639219 589172240 /nfs/dbraw/zinc/17/22/40/589172240.db2.gz BTUXAXMDBRKJDO-XNWIYYODSA-N 2 0 228.340 0.245 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000861643118 589172362 /nfs/dbraw/zinc/17/23/62/589172362.db2.gz QJUUETISFWAQCX-GUBZILKMSA-N 2 0 228.340 0.245 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000861642880 589172452 /nfs/dbraw/zinc/17/24/52/589172452.db2.gz JVFGHIFOYNBMOM-KOLCDFICSA-N 2 0 242.367 0.493 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861689617 589174474 /nfs/dbraw/zinc/17/44/74/589174474.db2.gz DMTNBFCQXRPLBO-LPEHRKFASA-N 2 0 228.340 0.116 20 0 BCADRP CCn1ncc(C[NH2+][C@H](C)CCCC[NH3+])n1 ZINC000863539604 589295494 /nfs/dbraw/zinc/29/54/94/589295494.db2.gz GJGMHSBYNUKLJR-SNVBAGLBSA-N 2 0 225.340 0.905 20 0 BCADRP COC(=O)C1=CC[C@H]([NH2+][C@H](C)C2C[NH2+]C2)C1 ZINC000863541000 589296699 /nfs/dbraw/zinc/29/66/99/589296699.db2.gz FNZPWGSLWGHBFP-KCJUWKMLSA-N 2 0 224.304 0.446 20 0 BCADRP COC(=O)C1=CC[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000863541663 589297271 /nfs/dbraw/zinc/29/72/71/589297271.db2.gz LITSGEJDVHVGET-SRVKXCTJSA-N 2 0 238.331 0.965 20 0 BCADRP CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)C2C[NH2+]C2)C1 ZINC000863542125 589297477 /nfs/dbraw/zinc/29/74/77/589297477.db2.gz ABSXGELTLXLIEO-BXKDBHETSA-N 2 0 238.331 0.836 20 0 BCADRP CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000863546007 589297778 /nfs/dbraw/zinc/29/77/78/589297778.db2.gz COBKGIWAOMRQOB-VHSXEESVSA-N 2 0 231.340 0.502 20 0 BCADRP CON(C)C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000863545761 589297785 /nfs/dbraw/zinc/29/77/85/589297785.db2.gz BCTFFSSCYADWBA-LPEHRKFASA-N 2 0 229.324 0.254 20 0 BCADRP CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000863546006 589297894 /nfs/dbraw/zinc/29/78/94/589297894.db2.gz COBKGIWAOMRQOB-UWVGGRQHSA-N 2 0 231.340 0.502 20 0 BCADRP Cc1cc([C@H](C)[NH2+]CCOCCC[NH3+])n(C)n1 ZINC000863546102 589298010 /nfs/dbraw/zinc/29/80/10/589298010.db2.gz JIUUYYSXBQXJMS-NSHDSACASA-N 2 0 240.351 0.745 20 0 BCADRP Cc1cc([C@@H](C)[NH2+]CCOCCC[NH3+])n(C)n1 ZINC000863546098 589298144 /nfs/dbraw/zinc/29/81/44/589298144.db2.gz JIUUYYSXBQXJMS-LLVKDONJSA-N 2 0 240.351 0.745 20 0 BCADRP C[C@H]([NH3+])CN(C)CCC(=O)NC1CCCC1 ZINC000863568260 589299861 /nfs/dbraw/zinc/29/98/61/589299861.db2.gz JCGKSKJAIXZYMC-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]([NH3+])CN(C)CCC(=O)NC1CCCC1 ZINC000863568261 589300318 /nfs/dbraw/zinc/30/03/18/589300318.db2.gz JCGKSKJAIXZYMC-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)[NH+](C)C ZINC000863585852 589302006 /nfs/dbraw/zinc/30/20/06/589302006.db2.gz NHMOUKCJTWXTCK-YPMHNXCESA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)[NH+](C)C ZINC000863585849 589302218 /nfs/dbraw/zinc/30/22/18/589302218.db2.gz NHMOUKCJTWXTCK-AAEUAGOBSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H]1C[C@H]1NC(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000864462278 589369624 /nfs/dbraw/zinc/36/96/24/589369624.db2.gz LBMPQLMIDSSURE-GXSJLCMTSA-N 2 0 222.336 0.771 20 0 BCADRP C[C@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)C[NH+](C)C ZINC000864467617 589371629 /nfs/dbraw/zinc/37/16/29/589371629.db2.gz VFFBNARFZMYSAL-BBBLOLIVSA-N 2 0 212.341 0.706 20 0 BCADRP CCN(C)C(=O)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000217384312 589471169 /nfs/dbraw/zinc/47/11/69/589471169.db2.gz FBQPWRPQAAEPBU-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[N@H+](CCC[NH3+])CCc1ccc(C(N)=O)cc1 ZINC000866661459 589509008 /nfs/dbraw/zinc/50/90/08/589509008.db2.gz QDFSRFUTEBBRHF-UHFFFAOYSA-N 2 0 235.331 0.609 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCCCCCNC(=O)CC1 ZINC000866683543 589511354 /nfs/dbraw/zinc/51/13/54/589511354.db2.gz DELSXZGYEPRHCQ-UHFFFAOYSA-N 2 0 241.379 0.978 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000866698921 589512986 /nfs/dbraw/zinc/51/29/86/589512986.db2.gz FUXCRPHISUWOKG-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP C[NH2+]CCC[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000866703669 589513632 /nfs/dbraw/zinc/51/36/32/589513632.db2.gz OAPNEHQAZLVALR-JTQLQIEISA-N 2 0 200.326 0.689 20 0 BCADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709393 589514089 /nfs/dbraw/zinc/51/40/89/589514089.db2.gz XEBJTYGBDYMSCV-JOYOIKCWSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@H](C(N)=O)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709390 589514288 /nfs/dbraw/zinc/51/42/88/589514288.db2.gz XEBJTYGBDYMSCV-BXKDBHETSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000868005192 589543794 /nfs/dbraw/zinc/54/37/94/589543794.db2.gz JUCPOBJEQGSHKQ-KOLCDFICSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000868006887 589543897 /nfs/dbraw/zinc/54/38/97/589543897.db2.gz ZIQIYMIEUVRTIT-MFKMUULPSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H](NC(=O)C[NH2+]C1CC1)C1CC[NH2+]CC1 ZINC000868012205 589544243 /nfs/dbraw/zinc/54/42/43/589544243.db2.gz LXZFUQYJJHPMIP-VIFPVBQESA-N 2 0 225.336 0.243 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870871537 589693236 /nfs/dbraw/zinc/69/32/36/589693236.db2.gz DPDJHYZWLALFHX-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870874133 589693588 /nfs/dbraw/zinc/69/35/88/589693588.db2.gz UYDDPGNVGBUFLM-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000870892817 589695077 /nfs/dbraw/zinc/69/50/77/589695077.db2.gz MPHLRUYFWIARJI-MXWKQRLJSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H]1CN(C(=O)CC[NH2+]CC2CC2)CC[NH2+]1 ZINC000870912799 589695445 /nfs/dbraw/zinc/69/54/45/589695445.db2.gz MKQFBPVPMBNQNR-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC000870913402 589696867 /nfs/dbraw/zinc/69/68/67/589696867.db2.gz UHPGUUYKIUHQBK-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870913849 589696936 /nfs/dbraw/zinc/69/69/36/589696936.db2.gz GOEUNGPAWZQVIG-AOOOYVTPSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000870934349 589697948 /nfs/dbraw/zinc/69/79/48/589697948.db2.gz KZJGSYIYLYNLOL-UTUOFQBUSA-N 2 0 239.363 0.620 20 0 BCADRP O=C(CCC12CC(C1)C[NH2+]2)N1CCC[NH2+]CC1 ZINC000870933566 589698042 /nfs/dbraw/zinc/69/80/42/589698042.db2.gz PVVOGHMOUMTVIH-UHFFFAOYSA-N 2 0 237.347 0.341 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870933651 589698048 /nfs/dbraw/zinc/69/80/48/589698048.db2.gz SKPGBVOIDUOAJL-AKJDGMEZSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)CC[NH2+]CC1CC1 ZINC000870933976 589698087 /nfs/dbraw/zinc/69/80/87/589698087.db2.gz BUCYZMYDKYWCLE-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000870934347 589698111 /nfs/dbraw/zinc/69/81/11/589698111.db2.gz KZJGSYIYLYNLOL-SDDRHHMPSA-N 2 0 239.363 0.620 20 0 BCADRP O=C(CC[NH2+]CC1CC1)NC[C@H]1CCC[NH2+]C1 ZINC000870934302 589698118 /nfs/dbraw/zinc/69/81/18/589698118.db2.gz KFNOOZMQOWFQSP-LBPRGKRZSA-N 2 0 239.363 0.492 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000870934730 589698337 /nfs/dbraw/zinc/69/83/37/589698337.db2.gz FEOGMPPUUVTKPO-UTUOFQBUSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CC[NH2+]CC1CC1 ZINC000870935620 589698388 /nfs/dbraw/zinc/69/83/88/589698388.db2.gz ABFUTAAHPWYYPC-NSHDSACASA-N 2 0 227.352 0.476 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000870934728 589698567 /nfs/dbraw/zinc/69/85/67/589698567.db2.gz FEOGMPPUUVTKPO-SDDRHHMPSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870935392 589698579 /nfs/dbraw/zinc/69/85/79/589698579.db2.gz WPBLPHWNGGYEPO-XZUYRWCXSA-N 2 0 237.347 0.454 20 0 BCADRP O=C(CC[NH2+]CC1CC1)NC[C@H]1CCC[NH2+]1 ZINC000870935914 589698583 /nfs/dbraw/zinc/69/85/83/589698583.db2.gz UJYJPERATFYCOQ-LLVKDONJSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)CC[NH2+]CC1CC1 ZINC000870937909 589698805 /nfs/dbraw/zinc/69/88/05/589698805.db2.gz CJXHVKMQVCTQIZ-VIFPVBQESA-N 2 0 213.325 0.087 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870937361 589698928 /nfs/dbraw/zinc/69/89/28/589698928.db2.gz HEUJBANADQLEEU-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000870937277 589698995 /nfs/dbraw/zinc/69/89/95/589698995.db2.gz YKGXWAKKDVVGJX-AEJSXWLSSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000870939751 589699128 /nfs/dbraw/zinc/69/91/28/589699128.db2.gz AQLWHGHDNGAZGP-CMPLNLGQSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000870941603 589699559 /nfs/dbraw/zinc/69/95/59/589699559.db2.gz ZJJVLCZIOSRLSN-KXNHARMFSA-N 2 0 239.363 0.890 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC(=O)CC[NH2+]CC2CC2)C1 ZINC000870941549 589699737 /nfs/dbraw/zinc/69/97/37/589699737.db2.gz YCQXTOBYQJCRRR-RYUDHWBXSA-N 2 0 239.363 0.762 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870942508 589699848 /nfs/dbraw/zinc/69/98/48/589699848.db2.gz ONQBBBQGCRKBFD-MXWKQRLJSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000870944078 589699990 /nfs/dbraw/zinc/69/99/90/589699990.db2.gz BICRTTUSFINCTC-KKOKHZNYSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@@H]1CN(C(=O)CCC23CC(C2)C[NH2+]3)C[C@H]1[NH3+] ZINC000870944357 589700004 /nfs/dbraw/zinc/70/00/04/589700004.db2.gz AURKLRSDIVJQSD-YLXHPXFOSA-N 2 0 237.347 0.324 20 0 BCADRP CN(C(=O)[C@H]1CC[C@@H]([NH3+])CC1)C1CC([NH3+])C1 ZINC000870944655 589700071 /nfs/dbraw/zinc/70/00/71/589700071.db2.gz JQTCVAHMPUSAKG-IXBNRNDTSA-N 2 0 225.336 0.452 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000870942546 589700128 /nfs/dbraw/zinc/70/01/28/589700128.db2.gz PKDJRBZJIHCEBL-QCNOEVLYSA-N 2 0 239.363 0.761 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870947192 589700228 /nfs/dbraw/zinc/70/02/28/589700228.db2.gz OWVPOOMULKNTEE-GUBZILKMSA-N 2 0 213.325 0.357 20 0 BCADRP CC1(C)CN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC000870945209 589700275 /nfs/dbraw/zinc/70/02/75/589700275.db2.gz HGMPYEHZPMJFJX-PHIMTYICSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870947207 589700353 /nfs/dbraw/zinc/70/03/53/589700353.db2.gz PDASQCSWRMQTTO-AATLWQCWSA-N 2 0 213.325 0.356 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870946436 589700389 /nfs/dbraw/zinc/70/03/89/589700389.db2.gz HLKZHPOVMSXNCA-ZBOXLXRLSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)CC[NH2+]CC1CC1 ZINC000870946079 589700495 /nfs/dbraw/zinc/70/04/95/589700495.db2.gz DEDMLENTKJYLLO-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870946925 589700594 /nfs/dbraw/zinc/70/05/94/589700594.db2.gz LUYOBCKNRUZECV-UTINFBMNSA-N 2 0 213.325 0.356 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870947401 589700783 /nfs/dbraw/zinc/70/07/83/589700783.db2.gz PDASQCSWRMQTTO-XKNYDFJKSA-N 2 0 213.325 0.356 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000870956669 589701523 /nfs/dbraw/zinc/70/15/23/589701523.db2.gz CSJKFUMJWDDIOV-ACZMLEFUSA-N 2 0 237.347 0.372 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000870959926 589701682 /nfs/dbraw/zinc/70/16/82/589701682.db2.gz ZBHZMNIVLOFMNR-KKZNHRDASA-N 2 0 211.309 0.064 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870963889 589701827 /nfs/dbraw/zinc/70/18/27/589701827.db2.gz MNVBHYRVJRTHMH-FCPHYTNBSA-N 2 0 237.347 0.372 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)C1 ZINC000870963532 589701917 /nfs/dbraw/zinc/70/19/17/589701917.db2.gz MXRRYFIVKVTEMD-LSCVPOLPSA-N 2 0 237.347 0.230 20 0 BCADRP [NH3+][C@H](CC(=O)NC[C@@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000870964397 589701934 /nfs/dbraw/zinc/70/19/34/589701934.db2.gz BKRMLOANRPRKGF-KGYLQXTDSA-N 2 0 247.342 0.930 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965439 589702152 /nfs/dbraw/zinc/70/21/52/589702152.db2.gz QERHELJTHHYDNP-XZUYRWCXSA-N 2 0 239.363 0.748 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870964590 589702177 /nfs/dbraw/zinc/70/21/77/589702177.db2.gz HMJHJHWZPLSBGS-LMLFDSFASA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965433 589702295 /nfs/dbraw/zinc/70/22/95/589702295.db2.gz QERHELJTHHYDNP-LSCVPOLPSA-N 2 0 239.363 0.748 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870964591 589702331 /nfs/dbraw/zinc/70/23/31/589702331.db2.gz HMJHJHWZPLSBGS-VLEAKVRGSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+][C@H](C(=O)NC[C@@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000870969113 589702687 /nfs/dbraw/zinc/70/26/87/589702687.db2.gz UNLGEGDGYRXIQN-DLOVCJGASA-N 2 0 233.315 0.540 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870967528 589702805 /nfs/dbraw/zinc/70/28/05/589702805.db2.gz ZHNISZDMLMQSDC-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870981483 589703035 /nfs/dbraw/zinc/70/30/35/589703035.db2.gz IXTCKXWOFKATSV-MXWKQRLJSA-N 2 0 225.336 0.276 20 0 BCADRP [NH3+][C@H](CC(=O)NC[C@@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000870971474 589703245 /nfs/dbraw/zinc/70/32/45/589703245.db2.gz BKRMLOANRPRKGF-RAIGVLPGSA-N 2 0 247.342 0.930 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972089 589703541 /nfs/dbraw/zinc/70/35/41/589703541.db2.gz RIXLKQSJGVRYCW-DCAQKATOSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973079 589704022 /nfs/dbraw/zinc/70/40/22/589704022.db2.gz IUCMLUNEXGSYDE-ZSBIGDGJSA-N 2 0 239.363 0.631 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870972952 589704164 /nfs/dbraw/zinc/70/41/64/589704164.db2.gz DEGJGBBLVUDGIH-MMWGEVLESA-N 2 0 225.336 0.241 20 0 BCADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000870978030 589704755 /nfs/dbraw/zinc/70/47/55/589704755.db2.gz PBNDMZCONICBLF-USZNOCQGSA-N 2 0 237.347 0.385 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870981528 589704872 /nfs/dbraw/zinc/70/48/72/589704872.db2.gz JGKAZQOBRMKGBL-SDDRHHMPSA-N 2 0 239.363 0.522 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)[NH3+])CC[C@H]21 ZINC000870980761 589704907 /nfs/dbraw/zinc/70/49/07/589704907.db2.gz BPBOLITWLAFOQZ-GHMZBOCLSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870982961 589705334 /nfs/dbraw/zinc/70/53/34/589705334.db2.gz QZOSNTHVKKVORR-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H](NC(=O)C[C@H]([NH3+])C1CC1)C1CC[NH2+]CC1 ZINC000870984255 589705379 /nfs/dbraw/zinc/70/53/79/589705379.db2.gz MMPHUHXCPMRXJS-SKDRFNHKSA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870987174 589705871 /nfs/dbraw/zinc/70/58/71/589705871.db2.gz HVXZFNMMNWXVNP-UMNHJUIQSA-N 2 0 241.379 0.864 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870985996 589706334 /nfs/dbraw/zinc/70/63/34/589706334.db2.gz LREQITFGVXFUGG-GHMZBOCLSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)C1CC[NH2+]CC1 ZINC000870987553 589707036 /nfs/dbraw/zinc/70/70/36/589707036.db2.gz MMPHUHXCPMRXJS-JOYOIKCWSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000870987826 589707256 /nfs/dbraw/zinc/70/72/56/589707256.db2.gz TWROBULVLAETET-JQWIXIFHSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000871005877 589709245 /nfs/dbraw/zinc/70/92/45/589709245.db2.gz IIINHDFFTWJERE-NQBHXWOUSA-N 2 0 237.347 0.326 20 0 BCADRP C[C@@H](C(=O)N1CC[N@H+](C)C(C)(C)CC1)[NH+](C)C ZINC000871154539 589740120 /nfs/dbraw/zinc/74/01/20/589740120.db2.gz GUXAOUSCLLUYCP-NSHDSACASA-N 2 0 241.379 0.879 20 0 BCADRP CC[NH+](CC)CCCNC(=[NH2+])N(C)CCOC ZINC000871603375 589773161 /nfs/dbraw/zinc/77/31/61/589773161.db2.gz QHKLVSYMJQQZHR-UHFFFAOYSA-N 2 0 244.383 0.821 20 0 BCADRP COCCN(C)C(=[NH2+])NC[C@@H](C)[NH+]1CCCC1 ZINC000871603206 589773595 /nfs/dbraw/zinc/77/35/95/589773595.db2.gz JFUWCKBMUWVSGR-LLVKDONJSA-N 2 0 242.367 0.573 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000123824402 589825199 /nfs/dbraw/zinc/82/51/99/589825199.db2.gz PIGWDXKQOVFAOB-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP C[NH+](C)CCCNC(=O)c1cccc(C[NH3+])c1 ZINC000019265576 589833146 /nfs/dbraw/zinc/83/31/46/589833146.db2.gz QMJYRUKHOSUIJG-UHFFFAOYSA-N 2 0 235.331 0.827 20 0 BCADRP CC(=O)C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000872146760 589885284 /nfs/dbraw/zinc/88/52/84/589885284.db2.gz WTOFFZAKGJXABB-NSHDSACASA-N 2 0 210.321 0.897 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C[C@@H]1CCC[NH2+]C1)C2 ZINC000872149463 589885386 /nfs/dbraw/zinc/88/53/86/589885386.db2.gz OLZNHYGNFDKNAX-FRRDWIJNSA-N 2 0 223.364 0.527 20 0 BCADRP [NH3+]CCCN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872150931 589885418 /nfs/dbraw/zinc/88/54/18/589885418.db2.gz HNRXEFZMKZGUJU-SFYZADRCSA-N 2 0 225.258 0.404 20 0 BCADRP [NH3+]CCN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151923 589885441 /nfs/dbraw/zinc/88/54/41/589885441.db2.gz NMOPKTHVLQAZMX-RNFRBKRXSA-N 2 0 211.231 0.014 20 0 BCADRP O=C1CC2(CCC2)[N@H+](C[C@@H]2CC[NH2+]C2)CCN1 ZINC000872156717 589885688 /nfs/dbraw/zinc/88/56/88/589885688.db2.gz CPZOQJCPUTWFDM-LLVKDONJSA-N 2 0 237.347 0.341 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000872256264 589901167 /nfs/dbraw/zinc/90/11/67/589901167.db2.gz NLEBSLUBYXFBAG-SDDRHHMPSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000872256262 589901297 /nfs/dbraw/zinc/90/12/97/589901297.db2.gz NLEBSLUBYXFBAG-GRYCIOLGSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872256574 589901326 /nfs/dbraw/zinc/90/13/26/589901326.db2.gz WEFKOWCZUVHFMY-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000124015999 589904609 /nfs/dbraw/zinc/90/46/09/589904609.db2.gz DAKMPFJNJDCSRM-LLVKDONJSA-N 2 0 227.352 0.570 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)CCC[NH3+] ZINC000872290702 589906464 /nfs/dbraw/zinc/90/64/64/589906464.db2.gz ZBCGEXNBNDEBLX-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]CCC1(C)C ZINC000872297438 589907791 /nfs/dbraw/zinc/90/77/91/589907791.db2.gz PDJGMEJMTQZXRV-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](C(=O)N1CC[NH2+]CCC1(C)C)[C@H](C)[NH3+] ZINC000872298594 589907796 /nfs/dbraw/zinc/90/77/96/589907796.db2.gz NZRUNDVOBQPAMK-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872307179 589908008 /nfs/dbraw/zinc/90/80/08/589908008.db2.gz MJZWYEYHCWSAHH-MNOVXSKESA-N 2 0 227.352 0.701 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]CCC1(C)C ZINC000872297440 589908323 /nfs/dbraw/zinc/90/83/23/589908323.db2.gz PDJGMEJMTQZXRV-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872309017 589908830 /nfs/dbraw/zinc/90/88/30/589908830.db2.gz MTKRTAAICQIVNM-GPTQDWHKSA-N 2 0 223.320 0.062 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C[NH2+]1 ZINC000872309390 589908871 /nfs/dbraw/zinc/90/88/71/589908871.db2.gz VAUWMCXIPXDHCE-HMUNZLOLSA-N 2 0 237.347 0.371 20 0 BCADRP C[NH+](C)CCNC(=O)CCCCCC[NH3+] ZINC000019504095 589940804 /nfs/dbraw/zinc/94/08/04/589940804.db2.gz YFNLSYVMKFJDHJ-UHFFFAOYSA-N 2 0 215.341 0.573 20 0 BCADRP Nc1cnc(C[NH2+]C2CCC([NH3+])CC2)cn1 ZINC000873208157 589994089 /nfs/dbraw/zinc/99/40/89/589994089.db2.gz CZZXYMIAQOZTLW-UHFFFAOYSA-N 2 0 221.308 0.418 20 0 BCADRP [NH3+]CCCCCC[NH2+]CC12CC(C1)C[NH2+]2 ZINC000873213490 589997159 /nfs/dbraw/zinc/99/71/59/589997159.db2.gz FMGCVUIFOGJWJM-UHFFFAOYSA-N 2 0 211.353 0.847 20 0 BCADRP C[C@@H]1C[C@@H](C)N(Cc2cnc(N)cn2)C[C@H]1C[NH3+] ZINC000873213657 589997176 /nfs/dbraw/zinc/99/71/76/589997176.db2.gz LGGFECDYNIREGS-GMTAPVOTSA-N 2 0 249.362 0.864 20 0 BCADRP C(N1CC[C@]2(CCC[NH2+]2)C1)C12CC(C1)C[NH2+]2 ZINC000873213706 589997333 /nfs/dbraw/zinc/99/73/33/589997333.db2.gz NKMZQYIVHCXIQD-OTTFEQOBSA-N 2 0 221.348 0.566 20 0 BCADRP C([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)C12CC(C1)C[NH2+]2 ZINC000873215939 589998000 /nfs/dbraw/zinc/99/80/00/589998000.db2.gz HMRMMKIVNFLJTA-ZRFAVCCESA-N 2 0 234.343 0.751 20 0 BCADRP C[C@H]([NH2+]CC1(C[NH3+])CC1)C1CC[NH2+]CC1 ZINC000873220742 589998706 /nfs/dbraw/zinc/99/87/06/589998706.db2.gz SKVSNFHSECFUKH-JTQLQIEISA-N 3 0 211.353 0.703 20 0 BCADRP C[C@@H]([NH2+]Cc1cnc(N)cn1)C1CC[NH2+]CC1 ZINC000873220058 589999032 /nfs/dbraw/zinc/99/90/32/589999032.db2.gz IOLYBPNMDNYLQJ-SECBINFHSA-N 2 0 235.335 0.537 20 0 BCADRP C[C@H]([NH2+]C[C@@]1(C)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000873221024 589999591 /nfs/dbraw/zinc/99/95/91/589999591.db2.gz XMJOXMPPYQRPJR-AAEUAGOBSA-N 3 0 225.380 0.964 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(CC34CC(C3)C[NH2+]4)CC[C@@H]21 ZINC000873221846 589999606 /nfs/dbraw/zinc/99/96/06/589999606.db2.gz RNEAODFPDDCLAS-DKNRTOFZSA-N 2 0 235.375 0.764 20 0 BCADRP C[C@H]([NH2+]C[C@]1(C)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000873221027 589999908 /nfs/dbraw/zinc/99/99/08/589999908.db2.gz XMJOXMPPYQRPJR-WCQYABFASA-N 3 0 225.380 0.964 20 0 BCADRP C[C@]1(C[NH+]2CCC(CO)(CO)CC2)CC[NH2+]C1 ZINC000873228022 590001161 /nfs/dbraw/zinc/00/11/61/590001161.db2.gz PZTSHEBAHBKXJL-LBPRGKRZSA-N 2 0 242.363 0.053 20 0 BCADRP C[C@@]1(CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[NH2+]C1 ZINC000873228980 590001263 /nfs/dbraw/zinc/00/12/63/590001263.db2.gz LWQCPABLPLCPJY-YNEHKIRRSA-N 2 0 223.364 0.527 20 0 BCADRP C([NH2+][C@@]12CCC[C@@H]1[NH2+]CC2)C1CC[NH2+]CC1 ZINC000873229788 590001895 /nfs/dbraw/zinc/00/18/95/590001895.db2.gz FZLILNFPHUWCEF-QWHCGFSZSA-N 3 0 223.364 0.860 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000873236647 590003949 /nfs/dbraw/zinc/00/39/49/590003949.db2.gz ZAZZQXRAFRJVSD-UTUOFQBUSA-N 2 0 243.395 0.547 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccnn1C ZINC000873252126 590005603 /nfs/dbraw/zinc/00/56/03/590005603.db2.gz ZYNCLBCYHIYMQF-BBBLOLIVSA-N 2 0 208.309 0.808 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000873248666 590007491 /nfs/dbraw/zinc/00/74/91/590007491.db2.gz DDFYVJLFUDYKAL-RYDUCSDGSA-N 2 0 239.363 0.080 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000873248874 590007705 /nfs/dbraw/zinc/00/77/05/590007705.db2.gz GEBSQPHMQVQRCN-PHIMTYICSA-N 2 0 223.364 0.940 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873250894 590007938 /nfs/dbraw/zinc/00/79/38/590007938.db2.gz RJMRALJIXPPOII-WISYIIOYSA-N 3 0 211.353 0.701 20 0 BCADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000873254812 590010161 /nfs/dbraw/zinc/01/01/61/590010161.db2.gz BEDGFMGGTHTRSE-FIQHERPVSA-N 3 0 211.353 0.796 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)C(C)(C)n1cncn1 ZINC000873255200 590010179 /nfs/dbraw/zinc/01/01/79/590010179.db2.gz DKLLCCKBGAKVOM-GMTAPVOTSA-N 2 0 237.351 0.729 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873254677 590010499 /nfs/dbraw/zinc/01/04/99/590010499.db2.gz ACJQWYPENUOAIO-KKOKHZNYSA-N 3 0 211.353 0.831 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260121 590013809 /nfs/dbraw/zinc/01/38/09/590013809.db2.gz SSMMLLUEIBEQGM-MMWGEVLESA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1C[NH2+]C1 ZINC000873261719 590014131 /nfs/dbraw/zinc/01/41/31/590014131.db2.gz RBFHTKWWENWISM-DJIHRAIXSA-N 3 0 223.364 0.715 20 0 BCADRP C[C@@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000873267994 590015249 /nfs/dbraw/zinc/01/52/49/590015249.db2.gz OBCOLGDCNRJSFB-DMDPSCGWSA-N 2 0 225.380 0.914 20 0 BCADRP C[C@H]([NH2+][C@H]1CNCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000873272405 590016317 /nfs/dbraw/zinc/01/63/17/590016317.db2.gz RVEKBRDWAVUCFY-GVXVVHGQSA-N 2 0 225.380 0.962 20 0 BCADRP c1ccc2c(c1)C[NH2+][C@@H](CN[C@@H]1CC[NH2+]C1)C2 ZINC000873295861 590023814 /nfs/dbraw/zinc/02/38/14/590023814.db2.gz ADYVXQUIOJTDIE-ZIAGYGMSSA-N 2 0 231.343 0.652 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873297572 590025297 /nfs/dbraw/zinc/02/52/97/590025297.db2.gz YEWCULDRDISGOA-FIQHERPVSA-N 2 0 212.337 0.735 20 0 BCADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)C1CC1 ZINC000874325802 590103385 /nfs/dbraw/zinc/10/33/85/590103385.db2.gz DGPKRDCABDUINB-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000874389648 590106972 /nfs/dbraw/zinc/10/69/72/590106972.db2.gz OATAZHQPOFFBEN-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC000874469519 590114402 /nfs/dbraw/zinc/11/44/02/590114402.db2.gz VJYLKJJTDHKWNX-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)NC1CC[NH2+]CC1 ZINC000876502999 590203579 /nfs/dbraw/zinc/20/35/79/590203579.db2.gz VTPHBYKYRXTPBE-PGLGOXFNSA-N 2 0 237.347 0.410 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000876502356 590203701 /nfs/dbraw/zinc/20/37/01/590203701.db2.gz ZWNNIYXWVZSTKW-RXUHEVMZSA-N 2 0 237.347 0.348 20 0 BCADRP CC1(C)[C@H](C(=O)NC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000876503122 590203741 /nfs/dbraw/zinc/20/37/41/590203741.db2.gz ZNNXOPOTYGFLIS-UWVGGRQHSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)C1 ZINC000876503713 590204064 /nfs/dbraw/zinc/20/40/64/590204064.db2.gz DGHQAQBECSIQHT-ANDSXOESSA-N 2 0 223.320 0.102 20 0 BCADRP CC1(C)[C@H](C(=O)N2CCC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000876506006 590204345 /nfs/dbraw/zinc/20/43/45/590204345.db2.gz NIAKWXKKODMPSW-UWVGGRQHSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]CCCNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876507328 590204671 /nfs/dbraw/zinc/20/46/71/590204671.db2.gz BALNTGGAAGMJIO-GZTOBOFZSA-N 2 0 225.336 0.268 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876509689 590205174 /nfs/dbraw/zinc/20/51/74/590205174.db2.gz MUYWEUUEUWMVQG-NXEZZACHSA-N 2 0 231.315 0.050 20 0 BCADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N[C@@H]1CC[NH2+]C1 ZINC000876511038 590205317 /nfs/dbraw/zinc/20/53/17/590205317.db2.gz UJNVQDZWNXSLRR-MJKAUQOVSA-N 2 0 223.320 0.020 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876510657 590205384 /nfs/dbraw/zinc/20/53/84/590205384.db2.gz XIDWXTIVZBEZIL-NXEZZACHSA-N 2 0 227.352 0.476 20 0 BCADRP CC[NH2+]CCCNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876510824 590205532 /nfs/dbraw/zinc/20/55/32/590205532.db2.gz XLWKALYAHCSDOS-SYTKJHMZSA-N 2 0 239.363 0.658 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH2+]2)C1(F)F ZINC000876515089 590206381 /nfs/dbraw/zinc/20/63/81/590206381.db2.gz XLTRYCHBJRCWFB-IWSPIJDZSA-N 2 0 247.289 0.085 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876515733 590206406 /nfs/dbraw/zinc/20/64/06/590206406.db2.gz WUXUTDNDVQXXHS-DCAQKATOSA-N 2 0 243.326 0.274 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000876514947 590206598 /nfs/dbraw/zinc/20/65/98/590206598.db2.gz WBMXFRNGULILKX-GARJFASQSA-N 2 0 239.363 0.557 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876515773 590206726 /nfs/dbraw/zinc/20/67/26/590206726.db2.gz XKYGPDCEGWNOBM-BBBLOLIVSA-N 2 0 225.336 0.180 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000876514948 590206728 /nfs/dbraw/zinc/20/67/28/590206728.db2.gz WBMXFRNGULILKX-GMTAPVOTSA-N 2 0 239.363 0.557 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000876518179 590206946 /nfs/dbraw/zinc/20/69/46/590206946.db2.gz MHIBVCBXJXNANI-NSHDSACASA-N 2 0 249.358 0.802 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000876519723 590207103 /nfs/dbraw/zinc/20/71/03/590207103.db2.gz LSJLHWHQBGCQCM-OUAUKWLOSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000876519722 590207107 /nfs/dbraw/zinc/20/71/07/590207107.db2.gz LSJLHWHQBGCQCM-MXWKQRLJSA-N 2 0 239.363 0.570 20 0 BCADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCC[NH2+]C1CC1 ZINC000876521915 590207296 /nfs/dbraw/zinc/20/72/96/590207296.db2.gz BOAWUUKYKXAHAM-UUSYTGMJSA-N 2 0 237.347 0.410 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[NH2+]CC ZINC000876520558 590207437 /nfs/dbraw/zinc/20/74/37/590207437.db2.gz AUYODOPMCQYLBA-VRJVPJCWSA-N 2 0 225.336 0.124 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000876522007 590207522 /nfs/dbraw/zinc/20/75/22/590207522.db2.gz DSNPZMUDHDDVMP-IRSQKABVSA-N 2 0 237.347 0.266 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876523622 590207963 /nfs/dbraw/zinc/20/79/63/590207963.db2.gz AGXMQMSYNYDRSJ-KYZUINATSA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876524795 590208231 /nfs/dbraw/zinc/20/82/31/590208231.db2.gz SVLXTPBMBMWLNA-QWRGUYRKSA-N 2 0 241.379 0.864 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000876526302 590208459 /nfs/dbraw/zinc/20/84/59/590208459.db2.gz WHUCRNWFSBIBJS-OUAUKWLOSA-N 2 0 239.363 0.476 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000876526299 590208545 /nfs/dbraw/zinc/20/85/45/590208545.db2.gz WHUCRNWFSBIBJS-GARJFASQSA-N 2 0 239.363 0.476 20 0 BCADRP CN(C(=O)[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CC[NH2+]C1 ZINC000876528494 590209334 /nfs/dbraw/zinc/20/93/34/590209334.db2.gz RMOPLSMRMMWDMC-LOWVWBTDSA-N 2 0 237.347 0.339 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876528943 590209574 /nfs/dbraw/zinc/20/95/74/590209574.db2.gz BRYWHANRTXOFDI-VHSXEESVSA-N 2 0 241.379 0.994 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876530034 590209708 /nfs/dbraw/zinc/20/97/08/590209708.db2.gz JDTSFHBOKHQZQE-UWVGGRQHSA-N 2 0 245.342 0.568 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)C[C@@H](C)[NH2+]1 ZINC000876529732 590210036 /nfs/dbraw/zinc/21/00/36/590210036.db2.gz GIPVTVWGFQPGNE-CHWFTXMASA-N 2 0 239.363 0.569 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876531570 590210133 /nfs/dbraw/zinc/21/01/33/590210133.db2.gz JONXWIZLHABMMY-HRDYMLBCSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876531688 590210348 /nfs/dbraw/zinc/21/03/48/590210348.db2.gz MINPNZQKIRGLHI-FOGDFJRCSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@](C[NH3+])(NC(=O)CC[NH2+]CC1CC1)C1CC1 ZINC000876530984 590210419 /nfs/dbraw/zinc/21/04/19/590210419.db2.gz WYRHJTKJTLLZTN-CYBMUJFWSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876534642 590210630 /nfs/dbraw/zinc/21/06/30/590210630.db2.gz CQZGRUIHWWIICK-SCVCMEIPSA-N 2 0 245.342 0.424 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876534306 590210710 /nfs/dbraw/zinc/21/07/10/590210710.db2.gz BEWBHIGRMHRHPD-DTWKUNHWSA-N 2 0 213.325 0.167 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876534756 590210877 /nfs/dbraw/zinc/21/08/77/590210877.db2.gz DGTHQQZKVZWNGK-CYLBZQBVSA-N 2 0 239.363 0.642 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CCC[NH3+] ZINC000876536390 590211233 /nfs/dbraw/zinc/21/12/33/590211233.db2.gz BKEWXCJXKLYKJR-VRJVPJCWSA-N 2 0 225.336 0.205 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876535988 590211360 /nfs/dbraw/zinc/21/13/60/590211360.db2.gz MWLUXDJEERVXLG-LOWVWBTDSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)([NH3+])CNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876538602 590211611 /nfs/dbraw/zinc/21/16/11/590211611.db2.gz KZSXFEHCQZVNRK-BRAIEQGRSA-N 2 0 225.336 0.396 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876538426 590211710 /nfs/dbraw/zinc/21/17/10/590211710.db2.gz QAXBQMUDADVMFK-XYPYZODXSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876541293 590212124 /nfs/dbraw/zinc/21/21/24/590212124.db2.gz XRASNMYFQXTIJF-CIUDSAMLSA-N 2 0 247.289 0.037 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876542019 590212611 /nfs/dbraw/zinc/21/26/11/590212611.db2.gz JNTOXLBQSJCQRZ-GMTAPVOTSA-N 2 0 245.342 0.568 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876542018 590212639 /nfs/dbraw/zinc/21/26/39/590212639.db2.gz JNTOXLBQSJCQRZ-AXFHLTTASA-N 2 0 245.342 0.568 20 0 BCADRP CC1(C)[C@H](C(=O)NCC[NH+]2CCCC2)C[C@@H]1[NH3+] ZINC000876712755 590232831 /nfs/dbraw/zinc/23/28/31/590232831.db2.gz JJRPHXKQGXVDPK-QWRGUYRKSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876724904 590233380 /nfs/dbraw/zinc/23/33/80/590233380.db2.gz BTINJWTYVLFETG-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000876734065 590234252 /nfs/dbraw/zinc/23/42/52/590234252.db2.gz OKJMZYRGKURZQU-AXFHLTTASA-N 2 0 239.363 0.570 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000876736512 590234667 /nfs/dbraw/zinc/23/46/67/590234667.db2.gz UYZMVAKQMGLOIV-JMHFSYBUSA-N 2 0 239.363 0.464 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876740231 590235108 /nfs/dbraw/zinc/23/51/08/590235108.db2.gz RUDHVBLMWHZISM-MXWKQRLJSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876740232 590235169 /nfs/dbraw/zinc/23/51/69/590235169.db2.gz RUDHVBLMWHZISM-OUAUKWLOSA-N 2 0 241.379 0.816 20 0 BCADRP CC[N@H+](CCNC(=O)C1=CC[C@H]([NH3+])C1)C(C)C ZINC000876748364 590237035 /nfs/dbraw/zinc/23/70/35/590237035.db2.gz CFWWBRSUVXSEHU-LBPRGKRZSA-N 2 0 239.363 0.880 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876750527 590237653 /nfs/dbraw/zinc/23/76/53/590237653.db2.gz WFQUVVRKDIKVHO-WDEREUQCSA-N 2 0 241.379 0.816 20 0 BCADRP Cn1ccnc1CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876753567 590237734 /nfs/dbraw/zinc/23/77/34/590237734.db2.gz MHWXYTMIKFRWKL-RKDXNWHRSA-N 2 0 236.319 0.410 20 0 BCADRP Cn1ccnc1CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876753432 590237864 /nfs/dbraw/zinc/23/78/64/590237864.db2.gz KUQCFMBVBLMNFB-ZWNMCFTASA-N 2 0 248.330 0.592 20 0 BCADRP Cn1ccnc1CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876753566 590238098 /nfs/dbraw/zinc/23/80/98/590238098.db2.gz MHWXYTMIKFRWKL-IUCAKERBSA-N 2 0 236.319 0.410 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876787673 590240801 /nfs/dbraw/zinc/24/08/01/590240801.db2.gz VIXYONRYKLEWDX-FOGDFJRCSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876786453 590241063 /nfs/dbraw/zinc/24/10/63/590241063.db2.gz HZPGHQRXHKDITE-XKFHPXPTSA-N 2 0 225.336 0.253 20 0 BCADRP CN1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876790175 590241633 /nfs/dbraw/zinc/24/16/33/590241633.db2.gz VKOBMQCPMSFOQB-ITKZLYELSA-N 2 0 237.347 0.316 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876791867 590241858 /nfs/dbraw/zinc/24/18/58/590241858.db2.gz JFQLBMBWABAUQW-BDAKNGLRSA-N 2 0 213.325 0.038 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]C)CC[N@@H+]1C ZINC000876792922 590241867 /nfs/dbraw/zinc/24/18/67/590241867.db2.gz ZNFNFOFMEJNDKF-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000876791997 590241945 /nfs/dbraw/zinc/24/19/45/590241945.db2.gz QWEQKJSVSLNJCV-GKBWCTFZSA-N 2 0 237.347 0.252 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000876797593 590242665 /nfs/dbraw/zinc/24/26/65/590242665.db2.gz VKZNQOCUNCZCIX-PXLFNHBNSA-N 2 0 225.336 0.252 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000876798627 590242745 /nfs/dbraw/zinc/24/27/45/590242745.db2.gz KBNZIWKWRAMPQD-RQVXFDJMSA-N 2 0 237.347 0.396 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876806034 590244303 /nfs/dbraw/zinc/24/43/03/590244303.db2.gz JFVSEFYHTOOPAJ-GHMZBOCLSA-N 2 0 243.326 0.098 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876806036 590244465 /nfs/dbraw/zinc/24/44/65/590244465.db2.gz JFVSEFYHTOOPAJ-QWRGUYRKSA-N 2 0 243.326 0.098 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876806037 590244530 /nfs/dbraw/zinc/24/45/30/590244530.db2.gz JFVSEFYHTOOPAJ-WDEREUQCSA-N 2 0 243.326 0.098 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000876810115 590245215 /nfs/dbraw/zinc/24/52/15/590245215.db2.gz NHLNYGOMCAQARY-LLGAQUFESA-N 2 0 249.358 0.434 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000876826225 590246294 /nfs/dbraw/zinc/24/62/94/590246294.db2.gz LFZJQQBIJGSWMU-GARJFASQSA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000876828274 590246918 /nfs/dbraw/zinc/24/69/18/590246918.db2.gz PPLJICPGNKCTTM-BBBLOLIVSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000876830176 590247219 /nfs/dbraw/zinc/24/72/19/590247219.db2.gz CFOITGZQOHHSCP-UMNHJUIQSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876846350 590247371 /nfs/dbraw/zinc/24/73/71/590247371.db2.gz AWYXDTZMLHFOQQ-RKDXNWHRSA-N 2 0 213.325 0.038 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC1(C)CC[NH2+]CC1 ZINC000876833012 590247676 /nfs/dbraw/zinc/24/76/76/590247676.db2.gz KLNQDYCDOMWVAZ-VHSXEESVSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC[NH2+]1 ZINC000876832448 590247716 /nfs/dbraw/zinc/24/77/16/590247716.db2.gz CVECPYYFFZBDAD-ZNSHCXBVSA-N 2 0 239.363 0.617 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876833736 590247882 /nfs/dbraw/zinc/24/78/82/590247882.db2.gz KHPHYHWVZKWTLH-ZRUFSTJUSA-N 2 0 243.326 0.191 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876836041 590247952 /nfs/dbraw/zinc/24/79/52/590247952.db2.gz KQYZGFCYKWFJFQ-KXUCPTDWSA-N 2 0 231.315 0.048 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](C)[NH2+]CC ZINC000876836950 590248183 /nfs/dbraw/zinc/24/81/83/590248183.db2.gz LSHLKRNUSKOKFY-YUBFOPJASA-N 2 0 239.363 0.512 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876846349 590248761 /nfs/dbraw/zinc/24/87/61/590248761.db2.gz AWYXDTZMLHFOQQ-IUCAKERBSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876853866 590249967 /nfs/dbraw/zinc/24/99/67/590249967.db2.gz AVGTZNQPVKQFIK-GMTAPVOTSA-N 2 0 245.342 0.568 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876854431 590250199 /nfs/dbraw/zinc/25/01/99/590250199.db2.gz GLLUIPZUCQERBD-MXWKQRLJSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876858428 590250430 /nfs/dbraw/zinc/25/04/30/590250430.db2.gz SLMKUWGADQZPDH-FXQIFTODSA-N 2 0 235.278 0.070 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876860026 590250436 /nfs/dbraw/zinc/25/04/36/590250436.db2.gz QSRZASNRCRRAPA-UWVGGRQHSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876861389 590250902 /nfs/dbraw/zinc/25/09/02/590250902.db2.gz XUTCWYTUUQBGBH-CMMBHTCHSA-N 2 0 225.336 0.394 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876869756 590251317 /nfs/dbraw/zinc/25/13/17/590251317.db2.gz DPBAFZXIXPOJIE-WOPDTQHZSA-N 2 0 237.347 0.291 20 0 BCADRP CN(C(=O)[C@H]1C[C@H]([NH3+])C1(C)C)C1(C[NH3+])CCC1 ZINC000876866415 590251445 /nfs/dbraw/zinc/25/14/45/590251445.db2.gz FNNXKUVHXDGOCY-ZJUUUORDSA-N 2 0 239.363 0.700 20 0 BCADRP CN(C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)C1(C[NH3+])CCC1 ZINC000876867830 590251507 /nfs/dbraw/zinc/25/15/07/590251507.db2.gz NGJMSXHPMLEDSB-ZJUUUORDSA-N 2 0 243.326 0.274 20 0 BCADRP O=C(CCC1C[NH2+]C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000876866897 590251592 /nfs/dbraw/zinc/25/15/92/590251592.db2.gz MKLATSVCXHGDNZ-VIFPVBQESA-N 2 0 247.289 0.099 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1(F)F ZINC000876869359 590251731 /nfs/dbraw/zinc/25/17/31/590251731.db2.gz DUZRGFMGFCKVFA-JQCXWYLXSA-N 2 0 247.289 0.070 20 0 BCADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876872118 590251904 /nfs/dbraw/zinc/25/19/04/590251904.db2.gz REGQJWZFNHXRGH-UVHMRBEPSA-N 2 0 249.358 0.363 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876872394 590251905 /nfs/dbraw/zinc/25/19/05/590251905.db2.gz YCALHLLTMOBUEJ-LPEHRKFASA-N 2 0 243.326 0.191 20 0 BCADRP C[C@@]1(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000876870861 590251961 /nfs/dbraw/zinc/25/19/61/590251961.db2.gz RJVYQLCPBYJGSL-UMNHJUIQSA-N 2 0 225.336 0.372 20 0 BCADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876872116 590252006 /nfs/dbraw/zinc/25/20/06/590252006.db2.gz REGQJWZFNHXRGH-ISVJBFRGSA-N 2 0 249.358 0.363 20 0 BCADRP CC1(C)CN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000876871272 590252139 /nfs/dbraw/zinc/25/21/39/590252139.db2.gz IOVVHCRNQAHJNY-VHSXEESVSA-N 2 0 243.326 0.144 20 0 BCADRP O=C(C=C[C@@H]1CCC[NH2+]C1)NCc1c[nH]cn1 ZINC000876882501 590253140 /nfs/dbraw/zinc/25/31/40/590253140.db2.gz JTIOERFAVGMCNV-FSIBCCDJSA-N 2 0 234.303 0.582 20 0 BCADRP CN(C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)[C@H](C[NH3+])C1CC1 ZINC000876913785 590256354 /nfs/dbraw/zinc/25/63/54/590256354.db2.gz LIMVOWUZVZKDQV-AXFHLTTASA-N 2 0 239.363 0.556 20 0 BCADRP C[C@@H]1CN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000876915535 590256382 /nfs/dbraw/zinc/25/63/82/590256382.db2.gz UQOWXNCYSFHWCB-DKLPLTIYSA-N 2 0 237.347 0.348 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876913308 590256545 /nfs/dbraw/zinc/25/65/45/590256545.db2.gz CQUBLXHQBIXIEL-RNJXMRFFSA-N 2 0 249.305 0.316 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876913307 590256639 /nfs/dbraw/zinc/25/66/39/590256639.db2.gz CQUBLXHQBIXIEL-FXQIFTODSA-N 2 0 249.305 0.316 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000876925082 590257634 /nfs/dbraw/zinc/25/76/34/590257634.db2.gz SXRVUEYNECVTAT-PWSUYJOCSA-N 2 0 225.336 0.339 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000876932400 590258622 /nfs/dbraw/zinc/25/86/22/590258622.db2.gz LPJZBFXSIPHJIA-DBIOUOCHSA-N 2 0 239.363 0.746 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000876932401 590258647 /nfs/dbraw/zinc/25/86/47/590258647.db2.gz LPJZBFXSIPHJIA-GWOFURMSSA-N 2 0 239.363 0.746 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876934991 590258726 /nfs/dbraw/zinc/25/87/26/590258726.db2.gz PLNFXHPICAAMCE-AXTSPUMRSA-N 2 0 231.315 0.176 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)CC[NH2+]CC1CC1 ZINC000876934250 590258743 /nfs/dbraw/zinc/25/87/43/590258743.db2.gz FQZZWJAKWLWPFG-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP O=C(NCCC[NH2+]C1CC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876938466 590258941 /nfs/dbraw/zinc/25/89/41/590258941.db2.gz GBYLXHANZDBRQJ-ONGXEEELSA-N 2 0 243.326 0.192 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876936384 590258942 /nfs/dbraw/zinc/25/89/42/590258942.db2.gz YNHAJYCJPBUISV-NAKRPEOUSA-N 2 0 227.352 0.746 20 0 BCADRP O=C(NCCC[NH2+]C1CC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876938465 590259115 /nfs/dbraw/zinc/25/91/15/590259115.db2.gz GBYLXHANZDBRQJ-MWLCHTKSSA-N 2 0 243.326 0.192 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000876948988 590260053 /nfs/dbraw/zinc/26/00/53/590260053.db2.gz YFRZUUGRFDGWTR-ZJUUUORDSA-N 2 0 239.363 0.605 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876957986 590260766 /nfs/dbraw/zinc/26/07/66/590260766.db2.gz NNCNUUAGYSOOMA-RKDXNWHRSA-N 2 0 227.352 0.556 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876957792 590260768 /nfs/dbraw/zinc/26/07/68/590260768.db2.gz GYOCNMAGORKMAL-BDAKNGLRSA-N 2 0 231.315 0.130 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876968526 590262575 /nfs/dbraw/zinc/26/25/75/590262575.db2.gz PYAJRXKLOQJQPH-WUXXMHMDSA-N 2 0 249.358 0.492 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000876968650 590262670 /nfs/dbraw/zinc/26/26/70/590262670.db2.gz JFFNGLQSZRNMID-OUFJKUNLSA-N 2 0 249.358 0.348 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000876969770 590262692 /nfs/dbraw/zinc/26/26/92/590262692.db2.gz ZHYDBAVWYHGAAK-LIVJGEBJSA-N 2 0 237.347 0.310 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)CC[NH2+]CC1CC1 ZINC000876978803 590264256 /nfs/dbraw/zinc/26/42/56/590264256.db2.gz VGIVTHLGYKZFPT-VIFPVBQESA-N 2 0 213.325 0.100 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000877004478 590268054 /nfs/dbraw/zinc/26/80/54/590268054.db2.gz KAWDVJPKWZSNDK-NSHDSACASA-N 2 0 239.363 0.906 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000877003638 590268088 /nfs/dbraw/zinc/26/80/88/590268088.db2.gz AVUWGQPRJYSKHN-LBPRGKRZSA-N 2 0 249.358 0.697 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000877023585 590270624 /nfs/dbraw/zinc/27/06/24/590270624.db2.gz WVYIOGYNOJYKIM-MMWGEVLESA-N 2 0 239.363 0.617 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C[NH2+]1 ZINC000877045686 590274147 /nfs/dbraw/zinc/27/41/47/590274147.db2.gz DTUUSTCVEZHSHX-HXFLIBJXSA-N 2 0 247.289 0.083 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)CC[NH2+]CC2CC2)C[NH2+]1 ZINC000877052112 590274664 /nfs/dbraw/zinc/27/46/64/590274664.db2.gz PLDOGTKDZWEUPV-ZYHUDNBSSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC000877050929 590274673 /nfs/dbraw/zinc/27/46/73/590274673.db2.gz JMRYLBNDAHIJTJ-SDDRHHMPSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)C[NH2+]1 ZINC000877052340 590275216 /nfs/dbraw/zinc/27/52/16/590275216.db2.gz QVKBSFLDRWBAOO-ZNSHCXBVSA-N 2 0 243.326 0.191 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000877081475 590279899 /nfs/dbraw/zinc/27/98/99/590279899.db2.gz CGNIGQKYXLSANW-OUAUKWLOSA-N 2 0 243.326 0.144 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)C1([NH3+])CCCCC1 ZINC000877095985 590281969 /nfs/dbraw/zinc/28/19/69/590281969.db2.gz WUNYKQHRSCAIAN-SECBINFHSA-N 2 0 213.325 0.454 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000877095357 590281999 /nfs/dbraw/zinc/28/19/99/590281999.db2.gz KWTKTUNZPIHDIS-GXSJLCMTSA-N 2 0 221.304 0.492 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000877095101 590282078 /nfs/dbraw/zinc/28/20/78/590282078.db2.gz ITPVXTXGDTWUGP-WDEREUQCSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C[C@H](C)[NH3+] ZINC000877102704 590283606 /nfs/dbraw/zinc/28/36/06/590283606.db2.gz MFVONGCVWYCDHK-GUBZILKMSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103076 590283892 /nfs/dbraw/zinc/28/38/92/590283892.db2.gz PVRGIPJJKXBTQD-ZJUUUORDSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000877103676 590284032 /nfs/dbraw/zinc/28/40/32/590284032.db2.gz XTWINKRVSQIPHY-HOSYDEDBSA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH3+])[NH+](C)C ZINC000877103641 590284169 /nfs/dbraw/zinc/28/41/69/590284169.db2.gz XBKJWWYLKQHAIA-VHSXEESVSA-N 2 0 215.341 0.378 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877105766 590284869 /nfs/dbraw/zinc/28/48/69/590284869.db2.gz MKKLFKBAMJYVGM-MNOVXSKESA-N 2 0 229.368 0.803 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000877106937 590285407 /nfs/dbraw/zinc/28/54/07/590285407.db2.gz YAKZTGYOWUWKRE-BDAKNGLRSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000877108739 590286251 /nfs/dbraw/zinc/28/62/51/590286251.db2.gz WGPSVCHVPPFBJD-UWVGGRQHSA-N 2 0 213.325 0.134 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@H](C)[NH3+] ZINC000877107986 590286405 /nfs/dbraw/zinc/28/64/05/590286405.db2.gz NQDLYDAZXDYMET-OZUGTNHESA-N 2 0 225.336 0.204 20 0 BCADRP CC[NH2+]CC(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000877119984 590288967 /nfs/dbraw/zinc/28/89/67/590288967.db2.gz NAYSZMSLLBDGER-UHFFFAOYSA-N 2 0 249.314 0.480 20 0 BCADRP CC[NH2+]CC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000877141258 590291621 /nfs/dbraw/zinc/29/16/21/590291621.db2.gz UUKGAGDPYQODTG-UHFFFAOYSA-N 2 0 247.342 0.558 20 0 BCADRP C[C@H](C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)[NH+](C)C ZINC000877150836 590292644 /nfs/dbraw/zinc/29/26/44/590292644.db2.gz CZCOFTCFKJIFHH-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)[NH+](C)C ZINC000877150838 590292932 /nfs/dbraw/zinc/29/29/32/590292932.db2.gz CZCOFTCFKJIFHH-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877155709 590293252 /nfs/dbraw/zinc/29/32/52/590293252.db2.gz WWQRPJMIYXOKLQ-QWRGUYRKSA-N 2 0 241.379 0.879 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877153634 590293301 /nfs/dbraw/zinc/29/33/01/590293301.db2.gz XAYZZUQKZVVACL-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP CC1(C)CC[C@@H](CNC(=O)C[NH2+]C2CC2)[NH2+]C1 ZINC000877153766 590293388 /nfs/dbraw/zinc/29/33/88/590293388.db2.gz YNHHDUATTBQIQN-NSHDSACASA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877154999 590293405 /nfs/dbraw/zinc/29/34/05/590293405.db2.gz RCYUQPKHTDKIGW-VHSXEESVSA-N 2 0 227.352 0.489 20 0 BCADRP [NH3+]Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000877170648 590296021 /nfs/dbraw/zinc/29/60/21/590296021.db2.gz RQIJLMYZNWDLBV-BETUJISGSA-N 2 0 245.326 0.722 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000877176867 590297308 /nfs/dbraw/zinc/29/73/08/590297308.db2.gz PWDNCAPWMOMJCI-JEZHCXPESA-N 2 0 211.309 0.062 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877184653 590298445 /nfs/dbraw/zinc/29/84/45/590298445.db2.gz PSLPOCCPBVEJPH-BMQDGWLCSA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877184192 590298517 /nfs/dbraw/zinc/29/85/17/590298517.db2.gz LONJQGZVMLWITC-UHFFFAOYSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)C[C@@H]1CC[NH2+]C1 ZINC000877187879 590298640 /nfs/dbraw/zinc/29/86/40/590298640.db2.gz KZGIPFVTSOCCAZ-ZBOXLXRLSA-N 2 0 237.347 0.468 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877191998 590298901 /nfs/dbraw/zinc/29/89/01/590298901.db2.gz GWKHYPHSLDHWCS-AKJDGMEZSA-N 2 0 239.363 0.842 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877192287 590299120 /nfs/dbraw/zinc/29/91/20/590299120.db2.gz KIZULHCPDSWTDR-YXMLORGKSA-N 2 0 239.363 0.986 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187914 590299157 /nfs/dbraw/zinc/29/91/57/590299157.db2.gz MBNBEOREQILBPB-QUNCOHTASA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@H]([NH3+])CC(F)F ZINC000877188324 590299160 /nfs/dbraw/zinc/29/91/60/590299160.db2.gz ZLINKSTWMQISMO-JKDSDDBFSA-N 2 0 247.289 0.451 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)CCC1C[NH2+]C1 ZINC000877232973 590301565 /nfs/dbraw/zinc/30/15/65/590301565.db2.gz HYAQXJJIUBMRNC-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000877240949 590302244 /nfs/dbraw/zinc/30/22/44/590302244.db2.gz HFICKRKOBKWOAC-WHOHXGKFSA-N 2 0 239.363 0.570 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877240723 590302270 /nfs/dbraw/zinc/30/22/70/590302270.db2.gz ANZWBCXPQBNEHW-GWTKHFDOSA-N 2 0 237.347 0.252 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877244995 590303256 /nfs/dbraw/zinc/30/32/56/590303256.db2.gz YIBYCYPPUKILRR-AATLWQCWSA-N 2 0 225.336 0.213 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000877244752 590303264 /nfs/dbraw/zinc/30/32/64/590303264.db2.gz NCRLQXRAPDSMAT-GMTAPVOTSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)[NH+](C)C ZINC000877243858 590303311 /nfs/dbraw/zinc/30/33/11/590303311.db2.gz QJPRSYRKMVKVPT-GMTAPVOTSA-N 2 0 227.352 0.426 20 0 BCADRP C[C@H](NC(=O)CCC1C[NH2+]C1)C1CC[NH2+]CC1 ZINC000877253247 590304166 /nfs/dbraw/zinc/30/41/66/590304166.db2.gz PSMOZNAOLHSYMN-JTQLQIEISA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H](NC(=O)C1=CC[C@@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000877254289 590304444 /nfs/dbraw/zinc/30/44/44/590304444.db2.gz RECFOPDBLJMXIL-BXKDBHETSA-N 2 0 237.347 0.538 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877274645 590305395 /nfs/dbraw/zinc/30/53/95/590305395.db2.gz MCTFRNPCSXBXLP-WDEREUQCSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877271837 590305559 /nfs/dbraw/zinc/30/55/59/590305559.db2.gz FHJNUQBATIZHBP-LPEHRKFASA-N 2 0 211.309 0.077 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877280302 590306401 /nfs/dbraw/zinc/30/64/01/590306401.db2.gz CFPMOPVNRNMFTD-YFKTTZPYSA-N 2 0 237.347 0.337 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)co1 ZINC000877280905 590306514 /nfs/dbraw/zinc/30/65/14/590306514.db2.gz FBCGTENGUSSLRJ-NWDGAFQWSA-N 2 0 249.314 0.705 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877283788 590306965 /nfs/dbraw/zinc/30/69/65/590306965.db2.gz RHECRJYKVNXVLY-WOPDTQHZSA-N 2 0 237.347 0.339 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877284037 590306980 /nfs/dbraw/zinc/30/69/80/590306980.db2.gz RUWYELGCGABOCC-FMSGJZPZSA-N 2 0 249.358 0.339 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877283405 590307004 /nfs/dbraw/zinc/30/70/04/590307004.db2.gz PFBNTBFCBQXQAY-BBBLOLIVSA-N 2 0 211.309 0.077 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877289042 590307094 /nfs/dbraw/zinc/30/70/94/590307094.db2.gz RROFXCLIQDVBFE-GHMZBOCLSA-N 2 0 239.363 0.857 20 0 BCADRP [NH3+]C1(CC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CCC1 ZINC000877287252 590307440 /nfs/dbraw/zinc/30/74/40/590307440.db2.gz JRDVWAMVPOWMAM-MNOVXSKESA-N 2 0 237.347 0.611 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877288096 590307478 /nfs/dbraw/zinc/30/74/78/590307478.db2.gz NKWYPALIOFELHZ-ZJUUUORDSA-N 2 0 211.309 0.078 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877290093 590307635 /nfs/dbraw/zinc/30/76/35/590307635.db2.gz YHLYRXBSZRWHNK-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000877292567 590307750 /nfs/dbraw/zinc/30/77/50/590307750.db2.gz OVLBQVLDJVLMEU-FXPVBKGRSA-N 2 0 225.336 0.513 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877289277 590307870 /nfs/dbraw/zinc/30/78/70/590307870.db2.gz TWGKXRLPTZQYHX-VXGBXAGGSA-N 2 0 237.347 0.339 20 0 BCADRP CC1([NH+]2CCCCC2)CCN(C(=O)C[NH3+])CC1 ZINC000877301508 590309869 /nfs/dbraw/zinc/30/98/69/590309869.db2.gz VWNLQUSLZVRVJR-UHFFFAOYSA-N 2 0 239.363 0.812 20 0 BCADRP CC(C)([NH3+])C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877346285 590319056 /nfs/dbraw/zinc/31/90/56/590319056.db2.gz AMXVPAIHBXXGGQ-GFCCVEGCSA-N 2 0 247.342 0.554 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877379058 590319776 /nfs/dbraw/zinc/31/97/76/590319776.db2.gz BXNWUIDKUGHJPP-JOYOIKCWSA-N 2 0 225.336 0.039 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877374159 590319892 /nfs/dbraw/zinc/31/98/92/590319892.db2.gz ZBLSTVDUUDFKTD-GBIKHYSHSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]1C[C@]13CC[NH2+]C3)C2 ZINC000877374219 590319971 /nfs/dbraw/zinc/31/99/71/590319971.db2.gz BWZSTNBAOQUDQL-UNJBNNCHSA-N 2 0 249.358 0.054 20 0 BCADRP O=C(CC[NH2+]C1CC1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877386233 590320427 /nfs/dbraw/zinc/32/04/27/590320427.db2.gz HCYITEPAMHSKTH-WCQYABFASA-N 2 0 237.347 0.529 20 0 BCADRP CC[C@H](C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2)[NH+](C)C ZINC000877385547 590320576 /nfs/dbraw/zinc/32/05/76/590320576.db2.gz LKKPMCXKCLWWSR-NQBHXWOUSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H](C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2)[NH+](C)C ZINC000877384648 590320614 /nfs/dbraw/zinc/32/06/14/590320614.db2.gz KZSGPXPUOVZPIU-JFGNBEQYSA-N 2 0 225.336 0.337 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)co1 ZINC000877389800 590321459 /nfs/dbraw/zinc/32/14/59/590321459.db2.gz GLKBLLPGEQEMRG-DGCLKSJQSA-N 2 0 249.314 0.753 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877387852 590321485 /nfs/dbraw/zinc/32/14/85/590321485.db2.gz RRIZSPQLLISCDV-NHCYSSNCSA-N 2 0 225.336 0.385 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877388341 590321611 /nfs/dbraw/zinc/32/16/11/590321611.db2.gz YOEKNJFQXNKSJR-MDZLAQPJSA-N 2 0 237.347 0.387 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391080 590321994 /nfs/dbraw/zinc/32/19/94/590321994.db2.gz MLQBBYSAXATDDX-FYBVGQRMSA-N 2 0 247.289 0.370 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877393445 590322017 /nfs/dbraw/zinc/32/20/17/590322017.db2.gz XUWBQPXYZCMKCV-WCQYABFASA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877393469 590322271 /nfs/dbraw/zinc/32/22/71/590322271.db2.gz YCYGNKRRWRXQEP-WCQYABFASA-N 2 0 239.363 0.906 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391486 590322299 /nfs/dbraw/zinc/32/22/99/590322299.db2.gz NZERPMMRIICRPQ-AAEUAGOBSA-N 2 0 239.363 0.729 20 0 BCADRP O=C(C[C@@H]1CC[NH2+]C1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877393502 590322342 /nfs/dbraw/zinc/32/23/42/590322342.db2.gz YOEKNJFQXNKSJR-GVXVVHGQSA-N 2 0 237.347 0.387 20 0 BCADRP [NH3+]CC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877401697 590322700 /nfs/dbraw/zinc/32/27/00/590322700.db2.gz MPALGAYTUHULHV-SNVBAGLBSA-N 2 0 225.336 0.374 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877398890 590323039 /nfs/dbraw/zinc/32/30/39/590323039.db2.gz JADZPOWIXVBOJU-BXKDBHETSA-N 2 0 225.336 0.515 20 0 BCADRP O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@]1(F)CC[NH2+]C1 ZINC000877398012 590323318 /nfs/dbraw/zinc/32/33/18/590323318.db2.gz ADZDIPSELRNMJN-DLOVCJGASA-N 2 0 241.310 0.089 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)CCCCCC[NH3+] ZINC000877436547 590327184 /nfs/dbraw/zinc/32/71/84/590327184.db2.gz IPJWXDGEKKRNGT-LLVKDONJSA-N 2 0 229.368 0.962 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)CCCCCC[NH3+] ZINC000877437506 590328083 /nfs/dbraw/zinc/32/80/83/590328083.db2.gz IQIHEKOXAQBBCM-UHFFFAOYSA-N 2 0 229.368 0.962 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)C1([NH3+])CC1 ZINC000877444513 590328904 /nfs/dbraw/zinc/32/89/04/590328904.db2.gz NGPHNIPAKUHBOM-UHFFFAOYSA-N 2 0 213.325 0.455 20 0 BCADRP CC(C)(O)C[NH+]1CCC([NH2+]C2CSC2)CC1 ZINC000877634723 590379619 /nfs/dbraw/zinc/37/96/19/590379619.db2.gz VDLJZOOAYPAYQD-UHFFFAOYSA-N 2 0 244.404 0.927 20 0 BCADRP C[NH+](C)C[C@@]1(O)CCCN(CCF)C1 ZINC000878864805 590634155 /nfs/dbraw/zinc/63/41/55/590634155.db2.gz AOKOEQXFHQTQLC-JTQLQIEISA-N 2 0 204.289 0.344 20 0 BCADRP Cn1ncc(CN2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000878864034 590634922 /nfs/dbraw/zinc/63/49/22/590634922.db2.gz NIENAPCJPDGWQH-UHFFFAOYSA-N 2 0 249.362 0.733 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCCO)CC[C@@H]21 ZINC000879572446 590810883 /nfs/dbraw/zinc/81/08/83/590810883.db2.gz HJGCDEAIUVZSMP-NEPJUHHUSA-N 2 0 212.337 0.785 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580008 590816841 /nfs/dbraw/zinc/81/68/41/590816841.db2.gz DCFGUYSDARTESU-IJLUTSLNSA-N 2 0 244.404 0.736 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879582028 590820442 /nfs/dbraw/zinc/82/04/42/590820442.db2.gz PJGBNSUXYPKZJP-WOPDTQHZSA-N 2 0 228.336 0.020 20 0 BCADRP C[C@@H]1C[N@H+](CCCO)CCN1c1cc[nH+]cc1 ZINC000880261395 590980447 /nfs/dbraw/zinc/98/04/47/590980447.db2.gz JTHWHJBSWFWPNN-GFCCVEGCSA-N 2 0 235.331 0.975 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC000882484645 591362714 /nfs/dbraw/zinc/36/27/14/591362714.db2.gz IZCJDEHQYHURKH-LLVKDONJSA-N 2 0 227.352 0.537 20 0 BCADRP CC[N@H+](CC(=O)NC[C@H]1CC[NH+]1CC)C1CC1 ZINC000882489808 591366364 /nfs/dbraw/zinc/36/63/64/591366364.db2.gz UYZILXDWCVNXOX-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC000882494976 591374419 /nfs/dbraw/zinc/37/44/19/591374419.db2.gz VEDUTWVPAIKICE-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH+](C)CCCCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000129851995 591415054 /nfs/dbraw/zinc/41/50/54/591415054.db2.gz JNQPUFRFRJWEMF-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NCCC[NH+](C)C ZINC000883037683 591523999 /nfs/dbraw/zinc/52/39/99/591523999.db2.gz HQQQXSBZULQXNS-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP COC[C@H]1C[C@@H]([NH2+][C@@H]2CN(C)C[C@@H]2C)C1 ZINC000883316103 591612305 /nfs/dbraw/zinc/61/23/05/591612305.db2.gz KSKNATPXMFMXLC-NNYUYHANSA-N 2 0 212.337 0.951 20 0 BCADRP CC[NH+](CC)CC(=O)NC1CCC([NH3+])CC1 ZINC000131709280 591644587 /nfs/dbraw/zinc/64/45/87/591644587.db2.gz ZFBIUNRZXGDCRR-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883418513 591653774 /nfs/dbraw/zinc/65/37/74/591653774.db2.gz KIYONIUPCLHTQS-SRVKXCTJSA-N 2 0 231.359 0.992 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000883418143 591654195 /nfs/dbraw/zinc/65/41/95/591654195.db2.gz YZCGGOPOOBSPOX-USZNOCQGSA-N 2 0 227.327 0.513 20 0 BCADRP C[C@@](C[NH3+])(NC[C@@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000883418334 591654532 /nfs/dbraw/zinc/65/45/32/591654532.db2.gz FALMBAODYXRTDH-DCAQKATOSA-N 2 0 215.316 0.403 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883424435 591659414 /nfs/dbraw/zinc/65/94/14/591659414.db2.gz RYDKPTIHGVEXNR-AGIUHOORSA-N 2 0 243.370 0.960 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883427714 591660655 /nfs/dbraw/zinc/66/06/55/591660655.db2.gz AFANDWCZLYEPOB-NAKRPEOUSA-N 2 0 233.306 0.318 20 0 BCADRP C[C@@H]1C[C@H](C)N(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@H]1C[NH3+] ZINC000883432858 591662629 /nfs/dbraw/zinc/66/26/29/591662629.db2.gz BTWFGBIEVOHQTG-FHUSYTEZSA-N 2 0 243.370 0.992 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883434311 591663682 /nfs/dbraw/zinc/66/36/82/591663682.db2.gz NCMRZNMULBZRJJ-UKKRHICBSA-N 2 0 215.316 0.546 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000883440518 591668248 /nfs/dbraw/zinc/66/82/48/591668248.db2.gz SGEPEIRJUAQTTK-YFKTTZPYSA-N 2 0 227.327 0.513 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCN1CCOC1=O ZINC000883441145 591668306 /nfs/dbraw/zinc/66/83/06/591668306.db2.gz IHBCNQUQGPUWIO-BDAKNGLRSA-N 2 0 227.308 0.154 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883441220 591668810 /nfs/dbraw/zinc/66/88/10/591668810.db2.gz KCBUACNVPLZROE-QEYWKRMJSA-N 2 0 215.316 0.402 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000883447054 591670802 /nfs/dbraw/zinc/67/08/02/591670802.db2.gz RNTZUQUGSMQYEO-QWRGUYRKSA-N 2 0 218.316 0.638 20 0 BCADRP CO[C@@H]1COCC[C@H]1[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000883461029 591673833 /nfs/dbraw/zinc/67/38/33/591673833.db2.gz MKYYDODJZWPLHJ-QJPTWQEYSA-N 2 0 228.336 0.332 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132905859 591747089 /nfs/dbraw/zinc/74/70/89/591747089.db2.gz SEPUZIDVGRGBDW-GMTAPVOTSA-N 2 0 225.336 0.467 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000884005030 591793406 /nfs/dbraw/zinc/79/34/06/591793406.db2.gz RHEOIMAMQUNUGT-NXEZZACHSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC1CC[NH2+]CC1 ZINC000884005689 591793900 /nfs/dbraw/zinc/79/39/00/591793900.db2.gz QPTDQYBRAJHGDR-NSHDSACASA-N 2 0 227.352 0.489 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)NCC1([NH3+])CCCCC1 ZINC000884007682 591795933 /nfs/dbraw/zinc/79/59/33/591795933.db2.gz KUDUBLWNZIAEIE-LLVKDONJSA-N 2 0 239.363 0.892 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000884009545 591797801 /nfs/dbraw/zinc/79/78/01/591797801.db2.gz YYEDIVNWJLKIEF-ZJUUUORDSA-N 2 0 225.336 0.052 20 0 BCADRP COCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000884013712 591798801 /nfs/dbraw/zinc/79/88/01/591798801.db2.gz QLOJIPMBJPJZGK-VWYCJHECSA-N 2 0 243.351 0.079 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000884017511 591800086 /nfs/dbraw/zinc/80/00/86/591800086.db2.gz YVKSORWEYWBRAW-GHMZBOCLSA-N 2 0 225.336 0.230 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000884017551 591800168 /nfs/dbraw/zinc/80/01/68/591800168.db2.gz ZJZHUTNWGCJSQX-QWRGUYRKSA-N 2 0 239.363 0.429 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000884017757 591800585 /nfs/dbraw/zinc/80/05/85/591800585.db2.gz FMPCNDZPRUODDD-QWRGUYRKSA-N 2 0 227.352 0.441 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000884017639 591800627 /nfs/dbraw/zinc/80/06/27/591800627.db2.gz BJXSRQAASDNGMW-GHMZBOCLSA-N 2 0 225.336 0.372 20 0 BCADRP CCCN(C(=O)[C@H]([NH3+])CC1CC1)[C@H]1CC[NH2+]C1 ZINC000884026630 591809164 /nfs/dbraw/zinc/80/91/64/591809164.db2.gz IGWWIRCWJHDMKB-NWDGAFQWSA-N 2 0 239.363 0.714 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000884026823 591810078 /nfs/dbraw/zinc/81/00/78/591810078.db2.gz MNTHQMXBLAVOGV-GHMZBOCLSA-N 2 0 239.363 0.348 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000884026742 591810169 /nfs/dbraw/zinc/81/01/69/591810169.db2.gz KVLHBHKUHJJJNI-MNOVXSKESA-N 2 0 225.336 0.230 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000884027730 591811700 /nfs/dbraw/zinc/81/17/00/591811700.db2.gz LOLQXSYJUGGGSM-WDEREUQCSA-N 2 0 239.363 0.300 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)C[C@@H](C)[NH2+]1 ZINC000884030663 591814092 /nfs/dbraw/zinc/81/40/92/591814092.db2.gz VBLHRQNMGDFBPT-FXPVBKGRSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)C[C@H](C)[NH2+]1 ZINC000884030666 591814149 /nfs/dbraw/zinc/81/41/49/591814149.db2.gz VBLHRQNMGDFBPT-WCABBAIRSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)[C@@H]([NH3+])CC1CC1)C1CC1 ZINC000884031458 591814951 /nfs/dbraw/zinc/81/49/51/591814951.db2.gz PRVZAWZIIPIMTM-JQWIXIFHSA-N 2 0 225.336 0.357 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884031851 591815563 /nfs/dbraw/zinc/81/55/63/591815563.db2.gz AZMSVNSCIVFXNS-MNOVXSKESA-N 2 0 241.379 0.722 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)CC[C@@H]1[NH3+] ZINC000884033782 591816789 /nfs/dbraw/zinc/81/67/89/591816789.db2.gz SZJXGSMZWSTLLT-DVVUODLYSA-N 2 0 225.336 0.310 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884036387 591817858 /nfs/dbraw/zinc/81/78/58/591817858.db2.gz UNDYRIONHDNZEX-ZYHUDNBSSA-N 2 0 227.352 0.603 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000884037312 591819020 /nfs/dbraw/zinc/81/90/20/591819020.db2.gz VXECTJLZHSQSHJ-QWRGUYRKSA-N 2 0 227.352 0.474 20 0 BCADRP COCC[C@@H]([NH3+])C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000884040814 591823543 /nfs/dbraw/zinc/82/35/43/591823543.db2.gz DYFKFGHJIVXHDQ-WDEREUQCSA-N 2 0 245.367 0.182 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NCCC[NH+](C)C ZINC000884176042 591866296 /nfs/dbraw/zinc/86/62/96/591866296.db2.gz SKHBRMZCBJEDKB-NSHDSACASA-N 2 0 229.368 0.688 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C)CC[NH3+] ZINC000884243845 591878897 /nfs/dbraw/zinc/87/88/97/591878897.db2.gz QOPUKBHGCIDAOE-ZJUUUORDSA-N 2 0 215.341 0.474 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC1C[NH2+]C1 ZINC000884242332 591879372 /nfs/dbraw/zinc/87/93/72/591879372.db2.gz SWYGNJJJOBDDED-SNVBAGLBSA-N 2 0 227.352 0.332 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884347773 591908680 /nfs/dbraw/zinc/90/86/80/591908680.db2.gz FOJTVFCYLHQGSC-JGVFFNPUSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000884245084 591882022 /nfs/dbraw/zinc/88/20/22/591882022.db2.gz PTMNGRXCQXYNKI-GARJFASQSA-N 2 0 239.363 0.428 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000884244673 591882268 /nfs/dbraw/zinc/88/22/68/591882268.db2.gz JJQMNSWUDRYUCA-UTUOFQBUSA-N 2 0 241.379 0.829 20 0 BCADRP C[C@]1(CNC(=O)[C@H]([NH3+])CC2CC2)CCC[NH2+]C1 ZINC000884246967 591883105 /nfs/dbraw/zinc/88/31/05/591883105.db2.gz DTEFBMRANXLCBF-YPMHNXCESA-N 2 0 239.363 0.620 20 0 BCADRP CC1(CNC(=O)[C@@H]([NH3+])CC2CC2)CC[NH2+]CC1 ZINC000884246986 591883291 /nfs/dbraw/zinc/88/32/91/591883291.db2.gz FQNKDJOPAHVRLS-NSHDSACASA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@]1(CNC(=O)[C@H]([NH3+])CC2CC2)CCC[NH2+]C1 ZINC000884246965 591883449 /nfs/dbraw/zinc/88/34/49/591883449.db2.gz DTEFBMRANXLCBF-DGCLKSJQSA-N 2 0 239.363 0.620 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000884267860 591887765 /nfs/dbraw/zinc/88/77/65/591887765.db2.gz OWNSXODUNCBPSP-OUAUKWLOSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)CC[NH2+]1 ZINC000884266729 591888286 /nfs/dbraw/zinc/88/82/86/591888286.db2.gz GGSGBJAYOGMEIA-VXGBXAGGSA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000884267379 591888790 /nfs/dbraw/zinc/88/87/90/591888790.db2.gz DTLAVHMVPGJWJK-OUAUKWLOSA-N 2 0 225.336 0.500 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CC2CC2)CC[NH2+]1 ZINC000884274743 591889511 /nfs/dbraw/zinc/88/95/11/591889511.db2.gz UDVYMFMFYDOWGF-DVVUODLYSA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884286474 591893614 /nfs/dbraw/zinc/89/36/14/591893614.db2.gz FJKMDFWNUAVHNI-VXGBXAGGSA-N 2 0 239.363 0.844 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884294445 591895570 /nfs/dbraw/zinc/89/55/70/591895570.db2.gz BAVWKZJOJGYCFI-SNVBAGLBSA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000884296602 591896756 /nfs/dbraw/zinc/89/67/56/591896756.db2.gz BEKHINXHPOVHMM-GUBZILKMSA-N 2 0 229.368 0.848 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000884296601 591897195 /nfs/dbraw/zinc/89/71/95/591897195.db2.gz BEKHINXHPOVHMM-BBBLOLIVSA-N 2 0 229.368 0.848 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000884304408 591899224 /nfs/dbraw/zinc/89/92/24/591899224.db2.gz OCADPUYUJWOFPT-WDEREUQCSA-N 2 0 241.379 0.877 20 0 BCADRP CN(C(=O)[C@H]([NH3+])CC1CC1)C1(C[NH3+])CCC1 ZINC000884300263 591899289 /nfs/dbraw/zinc/89/92/89/591899289.db2.gz UFROEOURALOXGF-SNVBAGLBSA-N 2 0 225.336 0.454 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000884303384 591899296 /nfs/dbraw/zinc/89/92/96/591899296.db2.gz NJNBWBLEOGNEHX-TUAOUCFPSA-N 2 0 241.379 0.864 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884302623 591899753 /nfs/dbraw/zinc/89/97/53/591899753.db2.gz VDZLCOLDGQPHJJ-GHMZBOCLSA-N 2 0 239.363 0.618 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884325289 591904791 /nfs/dbraw/zinc/90/47/91/591904791.db2.gz MZNDRJZWMMDTHB-LBPRGKRZSA-N 2 0 239.363 0.666 20 0 BCADRP CN(C(=O)[C@@H]([NH3+])CC1CC1)[C@H](C[NH3+])C1CC1 ZINC000884338623 591905582 /nfs/dbraw/zinc/90/55/82/591905582.db2.gz NVAOMGVHDZJUEA-WDEREUQCSA-N 2 0 225.336 0.310 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884347774 591908526 /nfs/dbraw/zinc/90/85/26/591908526.db2.gz FOJTVFCYLHQGSC-SFYZADRCSA-N 2 0 213.325 0.213 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884347816 591908549 /nfs/dbraw/zinc/90/85/49/591908549.db2.gz HBQVGEWUNSJRCW-IVZWLZJFSA-N 2 0 227.352 0.602 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884347938 591909210 /nfs/dbraw/zinc/90/92/10/591909210.db2.gz KGYPPKOXSCMKPJ-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884347980 591909248 /nfs/dbraw/zinc/90/92/48/591909248.db2.gz LIWAGXUVBRPTNV-VHSXEESVSA-N 2 0 227.352 0.617 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000884348082 591909609 /nfs/dbraw/zinc/90/96/09/591909609.db2.gz NSOGEQMIICIYBJ-BBBLOLIVSA-N 2 0 225.336 0.371 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000884348225 591909768 /nfs/dbraw/zinc/90/97/68/591909768.db2.gz RDYSSCLWKPSYBL-GHMZBOCLSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884348116 591909914 /nfs/dbraw/zinc/90/99/14/591909914.db2.gz OIVYPLQRWMFLOJ-YUMQZZPRSA-N 2 0 213.325 0.356 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884348290 591910209 /nfs/dbraw/zinc/91/02/09/591910209.db2.gz TZHFHYYCHKUXES-HRDYMLBCSA-N 2 0 227.352 0.602 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884358873 591912260 /nfs/dbraw/zinc/91/22/60/591912260.db2.gz ZRCLMWYZSXLLPB-NXEZZACHSA-N 2 0 241.379 0.994 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000884358325 591912312 /nfs/dbraw/zinc/91/23/12/591912312.db2.gz OTTZHTLCUAATMF-IVZWLZJFSA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)CCC[NH2+]1 ZINC000884358422 591912563 /nfs/dbraw/zinc/91/25/63/591912563.db2.gz QIGJTNZGVYGFAF-GIPNMCIBSA-N 2 0 239.363 0.761 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884358761 591912708 /nfs/dbraw/zinc/91/27/08/591912708.db2.gz XOLXHRSONUOCBH-UWVGGRQHSA-N 2 0 227.352 0.569 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C)[NH+](C)C ZINC000884358116 591912768 /nfs/dbraw/zinc/91/27/68/591912768.db2.gz LKKVIHOECJZKDI-DJLDLDEBSA-N 2 0 213.325 0.179 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000884358101 591912827 /nfs/dbraw/zinc/91/28/27/591912827.db2.gz LHADDFOBELLTNK-WJZNIJOASA-N 2 0 237.347 0.228 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C)[NH+](C)C ZINC000884358859 591912998 /nfs/dbraw/zinc/91/29/98/591912998.db2.gz ZNUCGPISUYEMDO-GARJFASQSA-N 2 0 241.379 0.815 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884360309 591913445 /nfs/dbraw/zinc/91/34/45/591913445.db2.gz YFAZLZIPFJOPCK-DJLDLDEBSA-N 2 0 213.325 0.212 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884359996 591913916 /nfs/dbraw/zinc/91/39/16/591913916.db2.gz SAQSACKCLRDYRL-XWLWVQCSSA-N 2 0 239.363 0.617 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CC[NH2+]C1CC1 ZINC000884362668 591915687 /nfs/dbraw/zinc/91/56/87/591915687.db2.gz PGBPRQLQYHQABB-ZJUUUORDSA-N 2 0 225.336 0.371 20 0 BCADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C)[NH+](C)C ZINC000884364634 591916698 /nfs/dbraw/zinc/91/66/98/591916698.db2.gz UVMJXGRZOVAIQN-BBBLOLIVSA-N 2 0 227.352 0.569 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000884363706 591916740 /nfs/dbraw/zinc/91/67/40/591916740.db2.gz HENXZPOEWZIRPR-OPRDCNLKSA-N 2 0 223.320 0.276 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000884366113 591917003 /nfs/dbraw/zinc/91/70/03/591917003.db2.gz UMFPVKSBXUCHQB-QWRGUYRKSA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000884366369 591917032 /nfs/dbraw/zinc/91/70/32/591917032.db2.gz YPMXESOMFICKFT-OSMVPFSASA-N 2 0 247.289 0.068 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884365697 591917072 /nfs/dbraw/zinc/91/70/72/591917072.db2.gz NBPLGKVJSYJSON-DCAQKATOSA-N 2 0 241.379 0.863 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000884365795 591917135 /nfs/dbraw/zinc/91/71/35/591917135.db2.gz OSCBRAKVAMIYTP-VHSXEESVSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000884365794 591917377 /nfs/dbraw/zinc/91/73/77/591917377.db2.gz OSCBRAKVAMIYTP-UWVGGRQHSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884365696 591917637 /nfs/dbraw/zinc/91/76/37/591917637.db2.gz NBPLGKVJSYJSON-AXFHLTTASA-N 2 0 241.379 0.863 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884366325 591917638 /nfs/dbraw/zinc/91/76/38/591917638.db2.gz XTFOVFRROTZUBN-DCAQKATOSA-N 2 0 239.363 0.713 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000884365936 591917646 /nfs/dbraw/zinc/91/76/46/591917646.db2.gz QURNHNSSZJKPLG-PTRXPTGYSA-N 2 0 225.336 0.371 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000884372475 591918482 /nfs/dbraw/zinc/91/84/82/591918482.db2.gz NWCLMZDAGOUFGD-DCAQKATOSA-N 2 0 229.368 0.863 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCCCCCC[NH3+] ZINC000884375359 591919346 /nfs/dbraw/zinc/91/93/46/591919346.db2.gz WNOVBYQRPYTCHD-LLVKDONJSA-N 2 0 241.379 0.867 20 0 BCADRP CO[C@@H](C[NH3+])C(=O)NCCC[N@H+](C)CC(C)C ZINC000884380480 591920892 /nfs/dbraw/zinc/92/08/92/591920892.db2.gz FGOQIAXULGZSDT-NSHDSACASA-N 2 0 245.367 0.054 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884396127 591924285 /nfs/dbraw/zinc/92/42/85/591924285.db2.gz VFNWWUKVWQIFOC-SECBINFHSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC2CC2)[C@H](C[NH3+])C1 ZINC000884411911 591928295 /nfs/dbraw/zinc/92/82/95/591928295.db2.gz CBYPNBCZKUFCMU-ADEWGFFLSA-N 2 0 239.363 0.700 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@H](CC(C)C)[NH2+]C ZINC000884419964 591928832 /nfs/dbraw/zinc/92/88/32/591928832.db2.gz GNPXKYBGUXZRLV-ZJUUUORDSA-N 2 0 215.341 0.345 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000884431364 591932853 /nfs/dbraw/zinc/93/28/53/591932853.db2.gz RUDZJHCHNIAUJL-WDEREUQCSA-N 2 0 237.347 0.515 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884457863 591940503 /nfs/dbraw/zinc/94/05/03/591940503.db2.gz NVAAQKGWXLYGNQ-GARJFASQSA-N 2 0 239.363 0.569 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884461012 591940945 /nfs/dbraw/zinc/94/09/45/591940945.db2.gz RDEKBEKYMYOOMV-AKJDGMEZSA-N 2 0 237.347 0.596 20 0 BCADRP COCC[C@H]([NH3+])C(=O)NC1(C[NH3+])CCCCC1 ZINC000884464674 591943263 /nfs/dbraw/zinc/94/32/63/591943263.db2.gz YBFDEAYGYAMQGY-JTQLQIEISA-N 2 0 243.351 0.128 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000884469446 591943905 /nfs/dbraw/zinc/94/39/05/591943905.db2.gz JBNKPBGAQANNOH-AXFHLTTASA-N 2 0 227.352 0.474 20 0 BCADRP C[NH+](C)C[C@@](C)(O)C[NH2+][C@@H]1CCCSC1 ZINC000134816122 591952441 /nfs/dbraw/zinc/95/24/41/591952441.db2.gz PFLSFZJEYDWGAS-MNOVXSKESA-N 2 0 232.393 0.784 20 0 BCADRP Cc1nccc(NCC[N@H+](C)CCO)n1 ZINC000884824920 592017766 /nfs/dbraw/zinc/01/77/66/592017766.db2.gz VVVHUMJZVIWVDM-UHFFFAOYSA-N 2 0 210.281 0.121 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000137395080 592176101 /nfs/dbraw/zinc/17/61/01/592176101.db2.gz SPHAXXOYXMQVCQ-VXGBXAGGSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+]C1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000886827255 592350482 /nfs/dbraw/zinc/35/04/82/592350482.db2.gz HVBQGOMQELWKBU-PWSUYJOCSA-N 2 0 210.321 0.836 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886828194 592352060 /nfs/dbraw/zinc/35/20/60/592352060.db2.gz ZABDFWCUDOHTHV-AVGNSLFASA-N 2 0 224.348 0.954 20 0 BCADRP [NH3+]C[C@@H]1C[N@H+](C[C@H]2C[C@@]23CCOC3)CCCO1 ZINC000886839913 592361347 /nfs/dbraw/zinc/36/13/47/592361347.db2.gz OPCWVGPRIMSHBO-JHJVBQTASA-N 2 0 240.347 0.463 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1C[C@]13CCOC3)C2 ZINC000886841886 592362847 /nfs/dbraw/zinc/36/28/47/592362847.db2.gz ZKBDVKWXQLZVHZ-FQUUOJAGSA-N 2 0 236.359 0.954 20 0 BCADRP CCN(C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CC[NH2+]C1 ZINC000886847058 592365901 /nfs/dbraw/zinc/36/59/01/592365901.db2.gz YACVRGAIPNPYKB-NEPJUHHUSA-N 2 0 239.363 0.191 20 0 BCADRP c1nnn2c1C[N@H+](CCC1CC[NH2+]CC1)CCC2 ZINC000886857825 592369293 /nfs/dbraw/zinc/36/92/93/592369293.db2.gz BNHYHMHHFSVYSF-UHFFFAOYSA-N 2 0 249.362 0.874 20 0 BCADRP CC(C)OC(=O)C1CC[NH+](CCC[NH3+])CC1 ZINC000886860052 592372353 /nfs/dbraw/zinc/37/23/53/592372353.db2.gz PECYMNQKWMFOSN-UHFFFAOYSA-N 2 0 228.336 0.999 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886871837 592378029 /nfs/dbraw/zinc/37/80/29/592378029.db2.gz CFOYJGXWJVNTMH-ZDUSSCGKSA-N 3 0 241.379 0.427 20 0 BCADRP C[C@H](CNC(=[NH2+])NCC1CC1)[NH+]1CCCC1 ZINC000887348293 592484630 /nfs/dbraw/zinc/48/46/30/592484630.db2.gz CDXRCIYNUFYWLJ-SNVBAGLBSA-N 2 0 224.352 0.995 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=[NH2+])NCC(F)F)C1 ZINC000887363097 592491259 /nfs/dbraw/zinc/49/12/59/592491259.db2.gz LTIQAXHHZNHDGI-OCAPTIKFSA-N 2 0 234.294 0.706 20 0 BCADRP CN(C[C@@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000300058118 592502600 /nfs/dbraw/zinc/50/26/00/592502600.db2.gz VLQMYTAMUGUPPC-AAEUAGOBSA-N 2 0 223.364 0.907 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000302716088 592553413 /nfs/dbraw/zinc/55/34/13/592553413.db2.gz ZIHBCIXEAHSLAX-RYUDHWBXSA-N 2 0 239.363 0.714 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000890065108 592675014 /nfs/dbraw/zinc/67/50/14/592675014.db2.gz ACVGBTDBFAVMME-LLVKDONJSA-N 2 0 240.351 0.086 20 0 BCADRP C[C@@H](C(=O)NCC[N@@H+]1CCC(C)(C)C1)[NH+](C)C ZINC000890068393 592676615 /nfs/dbraw/zinc/67/66/15/592676615.db2.gz QCJPOZLLGJJBDL-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000925702351 634378499 /nfs/dbraw/zinc/37/84/99/634378499.db2.gz OCGBBFHRINNCLM-CHWFTXMASA-N 2 0 239.363 0.746 20 0 BCADRP C[NH2+]Cc1ccccc1CN[C@H]1C[NH2+]CCOC1 ZINC000925703927 634380715 /nfs/dbraw/zinc/38/07/15/634380715.db2.gz WFWNYZVXYWVYHP-AWEZNQCLSA-N 2 0 249.358 0.484 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NCCC[NH2+]C1CC1 ZINC000925705460 634385861 /nfs/dbraw/zinc/38/58/61/634385861.db2.gz JDBRMUUDJBKZQN-JQWIXIFHSA-N 2 0 211.353 0.859 20 0 BCADRP [NH3+]C[C@H](N[C@@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000925705877 634388424 /nfs/dbraw/zinc/38/84/24/634388424.db2.gz IWOTYIYSBDRDCH-NEPJUHHUSA-N 2 0 227.352 0.082 20 0 BCADRP CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001026916910 634391559 /nfs/dbraw/zinc/39/15/59/634391559.db2.gz RRRGQPNZPMBAHV-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000925707606 634396791 /nfs/dbraw/zinc/39/67/91/634396791.db2.gz LXZMBKSKKMUAKH-IUCAKERBSA-N 2 0 233.306 0.714 20 0 BCADRP [NH3+][C@@H]1C[C@H](NC[C@H]2C[NH2+]CCCO2)C12CCC2 ZINC000925709635 634401904 /nfs/dbraw/zinc/40/19/04/634401904.db2.gz ORHJUXFBXCHMFQ-UTUOFQBUSA-N 2 0 239.363 0.224 20 0 BCADRP C[NH2+]C[C@@H](C)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925715391 634436733 /nfs/dbraw/zinc/43/67/33/634436733.db2.gz CJCITZUJCYFNIN-GHMZBOCLSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H]1CC[C@H](N[C@H]2C[C@H]([NH3+])C23CCC3)C[NH2+]1 ZINC000925719668 634456302 /nfs/dbraw/zinc/45/63/02/634456302.db2.gz ULJUSUXCUPSKMC-RHYQMDGZSA-N 2 0 223.364 0.986 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NCC1([NH3+])CCOCC1 ZINC000925717237 634453506 /nfs/dbraw/zinc/45/35/06/634453506.db2.gz BAJRCNVRZSNNHH-JTQLQIEISA-N 2 0 227.352 0.224 20 0 BCADRP CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027215672 634457566 /nfs/dbraw/zinc/45/75/66/634457566.db2.gz KWFTUUICERKPAX-NEPJUHHUSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NC[C@H]1CCC[N@@H+]1C ZINC000925723182 634463288 /nfs/dbraw/zinc/46/32/88/634463288.db2.gz OIMJNYSNROIZNQ-IJLUTSLNSA-N 2 0 211.353 0.811 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257740632 634488797 /nfs/dbraw/zinc/48/87/97/634488797.db2.gz YUWMSCPESTURFD-CHWSQXEVSA-N 2 0 223.364 0.671 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CCC[C@@]12CC[NH2+]C2 ZINC000257741599 634488546 /nfs/dbraw/zinc/48/85/46/634488546.db2.gz YYDSHONCTGYQRE-NEPJUHHUSA-N 2 0 209.337 0.424 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335637611 634504848 /nfs/dbraw/zinc/50/48/48/634504848.db2.gz FSPBPZPVXFIPCP-YPMHNXCESA-N 2 0 237.347 0.483 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652232084 634534415 /nfs/dbraw/zinc/53/44/15/634534415.db2.gz PPSXCAUSNREKGI-VIFPVBQESA-N 2 0 228.340 0.152 20 0 BCADRP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000125546165 634538988 /nfs/dbraw/zinc/53/89/88/634538988.db2.gz WFYKQKJPKCGMGT-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000227433037 634541012 /nfs/dbraw/zinc/54/10/12/634541012.db2.gz DAQADASJTLAFNZ-GWCFXTLKSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000925792299 635323659 /nfs/dbraw/zinc/32/36/59/635323659.db2.gz FHCDQTKHVAGGAQ-YVECIDJPSA-N 3 0 225.380 0.962 20 0 BCADRP CC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063196204 635469960 /nfs/dbraw/zinc/46/99/60/635469960.db2.gz VESSJJYNVOZTFD-OUAUKWLOSA-N 2 0 200.326 0.959 20 0 BCADRP C[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)[C@H]1CCC[NH2+]1 ZINC000925840337 635503290 /nfs/dbraw/zinc/50/32/90/635503290.db2.gz VDXZKOASDBRJKD-GMTAPVOTSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000925840771 635504601 /nfs/dbraw/zinc/50/46/01/635504601.db2.gz WWTSYYAZTHOBMA-SDDRHHMPSA-N 2 0 239.363 0.620 20 0 BCADRP Cn1nnc2c1C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)CC2 ZINC000925892421 635618632 /nfs/dbraw/zinc/61/86/32/635618632.db2.gz AOPAVQONDBDDME-WDEREUQCSA-N 2 0 249.362 0.404 20 0 BCADRP Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000925892849 635618643 /nfs/dbraw/zinc/61/86/43/635618643.db2.gz GMJBEVNFVFIIDS-GMTAPVOTSA-N 2 0 249.362 0.532 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]CCO[C@H]1CCOC1 ZINC000925875161 635597543 /nfs/dbraw/zinc/59/75/43/635597543.db2.gz POYUFUZUFKOGET-RYUDHWBXSA-N 2 0 230.352 0.899 20 0 BCADRP C[C@@H]1NCCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880407 635607688 /nfs/dbraw/zinc/60/76/88/635607688.db2.gz RDGZQYNQTABQBK-USZNOCQGSA-N 2 0 211.353 0.844 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](C(N)=O)C2)CC1 ZINC000891439880 631281718 /nfs/dbraw/zinc/28/17/18/631281718.db2.gz GKSMALQPWAHSHA-LLVKDONJSA-N 2 0 225.336 0.135 20 0 BCADRP c1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000082095435 631401218 /nfs/dbraw/zinc/40/12/18/631401218.db2.gz FNJKRVYABOAQHB-UHFFFAOYSA-N 2 0 219.332 0.681 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000121530108 631437324 /nfs/dbraw/zinc/43/73/24/631437324.db2.gz CPXZEIYQWSHGBA-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP CC(=O)NCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933734743 631495741 /nfs/dbraw/zinc/49/57/41/631495741.db2.gz CKVFMMNLGYQIPW-OLZOCXBDSA-N 2 0 239.363 0.396 20 0 BCADRP CC[NH2+]CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000308816740 631668141 /nfs/dbraw/zinc/66/81/41/631668141.db2.gz AUIFFWYUOFXOJW-JTQLQIEISA-N 2 0 201.314 0.086 20 0 BCADRP CC(C)[N@H+](C)CCCNC1=[NH+]C[C@@H](C)N1 ZINC000308841167 631690797 /nfs/dbraw/zinc/69/07/97/631690797.db2.gz YHFNGLFBUJEAAL-SNVBAGLBSA-N 2 0 212.341 0.654 20 0 BCADRP [NH3+]CCCCCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892213206 631788508 /nfs/dbraw/zinc/78/85/08/631788508.db2.gz XMDHYXBHFQOCNC-PHIMTYICSA-N 2 0 242.367 0.542 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CC2)C1 ZINC000051691833 631868032 /nfs/dbraw/zinc/86/80/32/631868032.db2.gz XFDYYVSENXSVCP-SNVBAGLBSA-N 2 0 224.352 0.993 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)CCCCC[NH3+] ZINC000309092509 631882401 /nfs/dbraw/zinc/88/24/01/631882401.db2.gz BQKYWXZARVZQIJ-SECBINFHSA-N 2 0 201.314 0.217 20 0 BCADRP CN(C[C@@H]([NH3+])CC(F)F)C[C@@H]1CCC[N@@H+]1C ZINC000309167655 631926308 /nfs/dbraw/zinc/92/63/08/631926308.db2.gz ABKNWAOSAUZZIC-UWVGGRQHSA-N 2 0 235.322 0.995 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000309405683 632049884 /nfs/dbraw/zinc/04/98/84/632049884.db2.gz HXZYSBODBLVJFQ-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251091511 635703447 /nfs/dbraw/zinc/70/34/47/635703447.db2.gz OSLGNZOSDWCOQL-MBYGNEARSA-N 2 0 212.337 0.972 20 0 BCADRP COCCOCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251868815 635706101 /nfs/dbraw/zinc/70/61/01/635706101.db2.gz TWKUMJQEBWHTBZ-NEPJUHHUSA-N 2 0 230.352 0.566 20 0 BCADRP CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023086556 632124784 /nfs/dbraw/zinc/12/47/84/632124784.db2.gz PELUPSZZGRUGHA-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)CCC1CC[NH2+]CC1 ZINC000309514273 632433345 /nfs/dbraw/zinc/43/33/45/632433345.db2.gz YEQMFVBCXPFYHV-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000130081261 632438161 /nfs/dbraw/zinc/43/81/61/632438161.db2.gz RNLZCLBEAGAEST-GRYCIOLGSA-N 2 0 239.363 0.620 20 0 BCADRP COCC[C@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000052790780 632489031 /nfs/dbraw/zinc/48/90/31/632489031.db2.gz OHIOXEVTYRWWJG-JTQLQIEISA-N 2 0 245.367 0.054 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000260224813 632633193 /nfs/dbraw/zinc/63/31/93/632633193.db2.gz WDMOGTLGPISZAF-GFCCVEGCSA-N 2 0 240.347 0.823 20 0 BCADRP CC(C)C(=O)NCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089140041 632656870 /nfs/dbraw/zinc/65/68/70/632656870.db2.gz CGYHBPLYAIUEQA-VXGBXAGGSA-N 2 0 241.379 0.866 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000310185106 632707100 /nfs/dbraw/zinc/70/71/00/632707100.db2.gz VSMVJNIGTTXZDW-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)C[C@@H](C)[NH2+]1 ZINC000310279381 632712886 /nfs/dbraw/zinc/71/28/86/632712886.db2.gz PDSIQHWDPWMZHT-UPJWGTAASA-N 2 0 241.379 0.125 20 0 BCADRP [NH3+]CC1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000310299750 632716870 /nfs/dbraw/zinc/71/68/70/632716870.db2.gz UCOOWBHLJSLPIX-ZDUSSCGKSA-N 3 0 241.379 0.114 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000310523120 632759112 /nfs/dbraw/zinc/75/91/12/632759112.db2.gz MKBMVUHXDGADAK-STQMWFEESA-N 3 0 241.379 0.114 20 0 BCADRP CCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000052041379 632780319 /nfs/dbraw/zinc/78/03/19/632780319.db2.gz UVXWUYXQCJMKAB-JTQLQIEISA-N 2 0 212.341 0.995 20 0 BCADRP CCCNC(=[NH2+])NC[C@@H]1CC[N@H+](CC)C1 ZINC000052042182 632781129 /nfs/dbraw/zinc/78/11/29/632781129.db2.gz VRARBNTYOAHMSX-JTQLQIEISA-N 2 0 212.341 0.852 20 0 BCADRP CCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000052041381 632781230 /nfs/dbraw/zinc/78/12/30/632781230.db2.gz UVXWUYXQCJMKAB-SNVBAGLBSA-N 2 0 212.341 0.995 20 0 BCADRP CCCNC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000052044656 632781529 /nfs/dbraw/zinc/78/15/29/632781529.db2.gz QBILKCUSMOBHLU-UHFFFAOYSA-N 2 0 212.341 0.852 20 0 BCADRP CC(C)NC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000052044658 632782114 /nfs/dbraw/zinc/78/21/14/632782114.db2.gz CBDHBMPJAKAUCQ-UHFFFAOYSA-N 2 0 212.341 0.851 20 0 BCADRP CCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000052043278 632782143 /nfs/dbraw/zinc/78/21/43/632782143.db2.gz NAVVJAGRDZNOHP-JTQLQIEISA-N 2 0 212.341 0.851 20 0 BCADRP C[NH+](C)CCn1cc(C[NH2+]C2CC2)nn1 ZINC000052422747 632836391 /nfs/dbraw/zinc/83/63/91/632836391.db2.gz RUJFSHMFDFZCNC-UHFFFAOYSA-N 2 0 209.297 0.092 20 0 BCADRP COCCNC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C ZINC000066245046 632860270 /nfs/dbraw/zinc/86/02/70/632860270.db2.gz ZRKFVQRGFRARTO-LLVKDONJSA-N 2 0 244.383 0.513 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000892549438 632956916 /nfs/dbraw/zinc/95/69/16/632956916.db2.gz SOTSSQNNAKNALF-OUAUKWLOSA-N 2 0 240.351 0.117 20 0 BCADRP C[NH2+]C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000309356185 632967960 /nfs/dbraw/zinc/96/79/60/632967960.db2.gz AEIKTSJUCKBRKD-MNOVXSKESA-N 3 0 211.353 0.798 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335514290 635880234 /nfs/dbraw/zinc/88/02/34/635880234.db2.gz NFGQYBBRGFXVND-ZYHUDNBSSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335625071 635884002 /nfs/dbraw/zinc/88/40/02/635884002.db2.gz RSQXWQJAACEYRS-WCQYABFASA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335623586 635884514 /nfs/dbraw/zinc/88/45/14/635884514.db2.gz IHQHYUNSZFHWBF-MFKMUULPSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)[C@@H]1CCOC1 ZINC000166331849 633109589 /nfs/dbraw/zinc/10/95/89/633109589.db2.gz HRKBXDJNJBYHKQ-NWDGAFQWSA-N 2 0 241.379 0.424 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167529433 633131538 /nfs/dbraw/zinc/13/15/38/633131538.db2.gz LSOVBMQQVFRIGH-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1cc(F)ccc1Cl ZINC000309531947 633189201 /nfs/dbraw/zinc/18/92/01/633189201.db2.gz DCVKSXCJVPHXHP-UHFFFAOYSA-N 2 0 231.702 0.855 20 0 BCADRP CCOCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000122299974 633199718 /nfs/dbraw/zinc/19/97/18/633199718.db2.gz VSEZSUJPWUXISU-GHMZBOCLSA-N 2 0 200.326 0.940 20 0 BCADRP CCN(CC)C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000122309399 633206064 /nfs/dbraw/zinc/20/60/64/633206064.db2.gz QXLOUGGVZAWNRX-VXGBXAGGSA-N 2 0 241.379 0.772 20 0 BCADRP COC(=O)C(C)(C)CC[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415011418 633223288 /nfs/dbraw/zinc/22/32/88/633223288.db2.gz HUOXRXUKFPYZQE-IUCAKERBSA-N 2 0 216.325 0.901 20 0 BCADRP C[C@H]1[C@@H](NC(=O)Cc2cncn2C)CC[N@@H+]1C ZINC000928434468 635929231 /nfs/dbraw/zinc/92/92/31/635929231.db2.gz DWFUJWSHWHEYLC-ONGXEEELSA-N 2 0 236.319 0.171 20 0 BCADRP C[C@H]1[C@H](NC(=O)Cc2cncn2C)CC[N@@H+]1C ZINC000928434465 635929491 /nfs/dbraw/zinc/92/94/91/635929491.db2.gz DWFUJWSHWHEYLC-GXSJLCMTSA-N 2 0 236.319 0.171 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H]([NH3+])CC1CC1 ZINC000306102911 635957557 /nfs/dbraw/zinc/95/75/57/635957557.db2.gz QJWATIJQOACDME-GFCCVEGCSA-N 2 0 241.379 0.914 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C1CC[NH2+]CC1)C1CC1 ZINC000237188302 636047586 /nfs/dbraw/zinc/04/75/86/636047586.db2.gz AFWDRXYEBDBBOC-GFCCVEGCSA-N 2 0 239.363 0.442 20 0 BCADRP C[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000928554596 636091443 /nfs/dbraw/zinc/09/14/43/636091443.db2.gz QSCXPRBHUNHFNH-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP CC(C)[C@](C)(O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328444205 633767208 /nfs/dbraw/zinc/76/72/08/633767208.db2.gz NOYKKWULSFJNMN-QEHJDLSMSA-N 2 0 238.375 0.979 20 0 BCADRP COC[C@H](C)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328462786 633768530 /nfs/dbraw/zinc/76/85/30/633768530.db2.gz VNSHSFWGHRZBPA-JIMTYQMOSA-N 2 0 224.348 0.855 20 0 BCADRP C[C@H](CCCO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328543078 633771219 /nfs/dbraw/zinc/77/12/19/633771219.db2.gz JZCREEJNCAWGKN-JIMTYQMOSA-N 2 0 224.348 0.733 20 0 BCADRP CCOCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328551199 633773744 /nfs/dbraw/zinc/77/37/44/633773744.db2.gz TYKBYMNOVVAGGY-JZRPKSSGSA-N 2 0 224.348 0.999 20 0 BCADRP OCCC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000328500333 633774525 /nfs/dbraw/zinc/77/45/25/633774525.db2.gz TXUKFFDGHBEJAX-JZRPKSSGSA-N 2 0 236.359 0.735 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000328568834 633779315 /nfs/dbraw/zinc/77/93/15/633779315.db2.gz PUASLRMYKKLRDM-XPABHHOTSA-N 3 0 249.402 0.914 20 0 BCADRP C[N@H+](CCC1SCCS1)C[C@@H](O)C[NH3+] ZINC000853023264 633795583 /nfs/dbraw/zinc/79/55/83/633795583.db2.gz RAGITOXBWNYKBX-QMMMGPOBSA-N 2 0 236.406 0.434 20 0 BCADRP CC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000308951202 633835206 /nfs/dbraw/zinc/83/52/06/633835206.db2.gz XVIAGXSQTQWQHZ-TUAOUCFPSA-N 2 0 212.337 0.641 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000178741263 633847899 /nfs/dbraw/zinc/84/78/99/633847899.db2.gz SELZZUBWBXYPNU-AXFHLTTASA-N 2 0 225.336 0.372 20 0 BCADRP CCc1nncn1CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925513446 633855950 /nfs/dbraw/zinc/85/59/50/633855950.db2.gz GLEXMGZZEZVXMJ-WDEREUQCSA-N 2 0 249.362 0.700 20 0 BCADRP CC[NH2+]CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000309497684 633931616 /nfs/dbraw/zinc/93/16/16/633931616.db2.gz UFTAOFLSQURFEQ-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP COC[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000053197119 634071515 /nfs/dbraw/zinc/07/15/15/634071515.db2.gz QJWKFQGABHMORE-SNVBAGLBSA-N 2 0 200.326 0.953 20 0 BCADRP CCN(C[C@@H](O)C[NH+]1CCCC1)[C@H]1CC[NH2+]C1 ZINC000310198321 634085344 /nfs/dbraw/zinc/08/53/44/634085344.db2.gz BIHUFLFMNKYZFL-STQMWFEESA-N 2 0 241.379 0.127 20 0 BCADRP CC(C)[N@H+](C)CCCN[C@@H]1C[NH2+]CCOC1 ZINC000925606980 634136231 /nfs/dbraw/zinc/13/62/31/634136231.db2.gz RDLNMENSXQLSAX-GFCCVEGCSA-N 2 0 229.368 0.295 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925610007 634145800 /nfs/dbraw/zinc/14/58/00/634145800.db2.gz CCWCOKJZIGOISG-NTZNESFSSA-N 2 0 244.379 0.879 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925685141 634299244 /nfs/dbraw/zinc/29/92/44/634299244.db2.gz GMIMUFXLCGRTPU-WISYIIOYSA-N 2 0 242.363 0.896 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925685140 634300495 /nfs/dbraw/zinc/30/04/95/634300495.db2.gz GMIMUFXLCGRTPU-WHOHXGKFSA-N 2 0 242.363 0.896 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CC[NH2+]C1)[NH2+]2 ZINC000925688290 634305348 /nfs/dbraw/zinc/30/53/48/634305348.db2.gz CRECLKWBLYWMIJ-ROHXPCBUSA-N 2 0 209.337 0.467 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CC[NH2+]C1)[NH2+]2 ZINC000925688291 634305483 /nfs/dbraw/zinc/30/54/83/634305483.db2.gz CRECLKWBLYWMIJ-YBXAARCKSA-N 2 0 209.337 0.467 20 0 BCADRP CC[NH2+]CCCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925689177 634307079 /nfs/dbraw/zinc/30/70/79/634307079.db2.gz HEFFIKNHZDMVES-GHMZBOCLSA-N 2 0 211.353 0.846 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000925690498 634313614 /nfs/dbraw/zinc/31/36/14/634313614.db2.gz GODWPFKIVPKZPZ-IJLVLRJLSA-N 3 0 223.364 0.844 20 0 BCADRP CC[NH2+]CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925690900 634313787 /nfs/dbraw/zinc/31/37/87/634313787.db2.gz HZCOKPDDMWPLJW-NSHDSACASA-N 2 0 211.353 0.860 20 0 BCADRP CC[NH2+]CCCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925691160 634316006 /nfs/dbraw/zinc/31/60/06/634316006.db2.gz LYYOCFNUQQXDCQ-NWBUJAPZSA-N 2 0 223.364 0.572 20 0 BCADRP C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@@H]1CCC[NH2+]C1 ZINC000925691859 634320773 /nfs/dbraw/zinc/32/07/73/634320773.db2.gz KGJOVAUGLYPZDZ-WFQJECDVSA-N 2 0 235.375 0.572 20 0 BCADRP CC(C)[NH2+]CCCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925694180 634335536 /nfs/dbraw/zinc/33/55/36/634335536.db2.gz RAWKPASQLYFJDJ-QSLWVIQJSA-N 2 0 237.391 0.961 20 0 BCADRP C[NH2+]CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925695237 634346174 /nfs/dbraw/zinc/34/61/74/634346174.db2.gz UUGRQWUMPPOGQG-QWHCGFSZSA-N 2 0 225.380 0.964 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1CCCC[NH2+]1 ZINC000925696223 634351711 /nfs/dbraw/zinc/35/17/11/634351711.db2.gz YIJVVUVJCQAZHR-QJPTWQEYSA-N 2 0 211.353 0.859 20 0 BCADRP [NH3+]C[C@@H](N[C@@H]1C[NH2+]CCOC1)C1CCCCC1 ZINC000925695815 634352260 /nfs/dbraw/zinc/35/22/60/634352260.db2.gz YAVMAXJPSJCGJE-CHWSQXEVSA-N 2 0 241.379 0.472 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CC[NH2+]C1 ZINC000925697015 634357929 /nfs/dbraw/zinc/35/79/29/634357929.db2.gz CVRHBTPUEDPIBR-JGGZEWDASA-N 3 0 223.364 0.701 20 0 BCADRP C[C@H](C[NH3+])CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925696976 634358895 /nfs/dbraw/zinc/35/88/95/634358895.db2.gz CJQRZBXWKBEWPM-WYUUTHIRSA-N 2 0 225.380 0.947 20 0 BCADRP [NH3+][C@H](CN[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925697338 634361089 /nfs/dbraw/zinc/36/10/89/634361089.db2.gz DRYDEQCXRNXLPP-GHMZBOCLSA-N 2 0 209.337 0.598 20 0 BCADRP COCC[NH2+]CCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925698578 634364357 /nfs/dbraw/zinc/36/43/57/634364357.db2.gz KUPVMDDFRJDKCX-NWDGAFQWSA-N 2 0 243.395 0.718 20 0 BCADRP COCC[NH2+]CCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925698574 634365295 /nfs/dbraw/zinc/36/52/95/634365295.db2.gz KUPVMDDFRJDKCX-NEPJUHHUSA-N 2 0 243.395 0.718 20 0 BCADRP CC(C)([NH3+])CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925699130 634365950 /nfs/dbraw/zinc/36/59/50/634365950.db2.gz NCNKQJIRDASZFI-LADJIXMOSA-N 2 0 209.337 0.310 20 0 BCADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]CC2)C12CCC2 ZINC000925700041 634368792 /nfs/dbraw/zinc/36/87/92/634368792.db2.gz MXYWGICMAHLVLJ-IJLUTSLNSA-N 2 0 223.364 0.988 20 0 BCADRP C[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)CC[NH2+]1 ZINC000925700753 634372329 /nfs/dbraw/zinc/37/23/29/634372329.db2.gz SLFWVTUWRCFDMQ-KKOKHZNYSA-N 2 0 223.364 0.986 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424031214 635153816 /nfs/dbraw/zinc/15/38/16/635153816.db2.gz SIVYQNFKXKVZKM-YPMHNXCESA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NCc1cc(N)cc[nH+]1 ZINC000925767909 635186174 /nfs/dbraw/zinc/18/61/74/635186174.db2.gz RHOBQHHTWYWKHS-JOYOIKCWSA-N 2 0 220.320 0.894 20 0 BCADRP CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980391716 635217195 /nfs/dbraw/zinc/21/71/95/635217195.db2.gz RUAFOWYGHYJGRD-RYUDHWBXSA-N 2 0 239.363 0.491 20 0 BCADRP [NH3+]CCN1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000259255648 635258268 /nfs/dbraw/zinc/25/82/68/635258268.db2.gz MRJWLAFZOYONCJ-LBPRGKRZSA-N 2 0 227.352 0.178 20 0 BCADRP C[C@H](C[C@@H]1COCCN1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000925779038 635267959 /nfs/dbraw/zinc/26/79/59/635267959.db2.gz LHTIXFHRMLTICK-MROQNXINSA-N 3 0 241.379 0.613 20 0 BCADRP C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000925779031 635268491 /nfs/dbraw/zinc/26/84/91/635268491.db2.gz LHTIXFHRMLTICK-FDYHWXHSSA-N 3 0 241.379 0.613 20 0 BCADRP CO[C@@H]1COCC[C@H]1[N@H+](C)CC1CC[NH2+]CC1 ZINC000310171011 635292380 /nfs/dbraw/zinc/29/23/80/635292380.db2.gz PRQIJQPBFCKZPZ-CHWSQXEVSA-N 2 0 242.363 0.722 20 0 BCADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000925792296 635325499 /nfs/dbraw/zinc/32/54/99/635325499.db2.gz FHCDQTKHVAGGAQ-LPWJVIDDSA-N 3 0 225.380 0.962 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000925873444 635589853 /nfs/dbraw/zinc/58/98/53/635589853.db2.gz AGECSNLSFRENNH-FRRDWIJNSA-N 2 0 242.363 0.770 20 0 BCADRP CN1C[C@@H]([NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](C)C3)CC1=O ZINC000924896248 635751098 /nfs/dbraw/zinc/75/10/98/635751098.db2.gz MEAHPONVISONGN-NUVITONLSA-N 2 0 237.347 0.147 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000928442523 635945388 /nfs/dbraw/zinc/94/53/88/635945388.db2.gz BBJYCNHTGKXRDM-GHMZBOCLSA-N 2 0 227.352 0.535 20 0 BCADRP C[C@H]1OCC[C@@H]1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154693 636573535 /nfs/dbraw/zinc/57/35/35/636573535.db2.gz WHDKSXOFYGADKI-FVCCEPFGSA-N 2 0 224.348 0.953 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC000987529990 636652350 /nfs/dbraw/zinc/65/23/50/636652350.db2.gz FRGVHNIWJRCWDF-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000987529988 636653064 /nfs/dbraw/zinc/65/30/64/636653064.db2.gz FRGVHNIWJRCWDF-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]CCNC(=O)CCCCCC[NH3+] ZINC000237380616 636756826 /nfs/dbraw/zinc/75/68/26/636756826.db2.gz DDNZJHRCPKRJNR-UHFFFAOYSA-N 2 0 201.314 0.231 20 0 BCADRP CNC(=O)CN1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706018 636934226 /nfs/dbraw/zinc/93/42/26/636934226.db2.gz DZJAMMFZXOFIMM-GFCCVEGCSA-N 2 0 227.352 0.429 20 0 BCADRP [NH3+]CCCCCCC(=O)NCCC[NH3+] ZINC000041043489 636955170 /nfs/dbraw/zinc/95/51/70/636955170.db2.gz IMVHSIITOXVXMW-UHFFFAOYSA-N 2 0 201.314 0.361 20 0 BCADRP CCO[C@@H](C[NH2+][C@@H]1COCC1(C)C)CN(C)C ZINC000926964422 636977829 /nfs/dbraw/zinc/97/78/29/636977829.db2.gz RPVACPOHFLXHTK-NWDGAFQWSA-N 2 0 244.379 0.968 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)CCCCC[NH3+] ZINC000154148451 637032516 /nfs/dbraw/zinc/03/25/16/637032516.db2.gz PYHDCSOSELCSGZ-SECBINFHSA-N 2 0 201.314 0.311 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCCCCCC[NH3+] ZINC000034563719 637050078 /nfs/dbraw/zinc/05/00/78/637050078.db2.gz KKGOXFKFVKGBEM-VIFPVBQESA-N 2 0 201.314 0.359 20 0 BCADRP C[C@@H](C[NH3+])n1cc([C@H]2CCCC[NH2+]2)nn1 ZINC000899718034 637123736 /nfs/dbraw/zinc/12/37/36/637123736.db2.gz HBJHIQPEKHAQDA-DTWKUNHWSA-N 2 0 209.297 0.612 20 0 BCADRP COC[C@@H](O)CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902368216 637296091 /nfs/dbraw/zinc/29/60/91/637296091.db2.gz FNCBAOFOMHBYTR-NEPJUHHUSA-N 2 0 244.379 0.752 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000903463507 637365089 /nfs/dbraw/zinc/36/50/89/637365089.db2.gz CXCZNZKRZJIZBW-UPJWGTAASA-N 2 0 249.362 0.456 20 0 BCADRP CC[N@@H+](CCC(N)=O)CC[C@H]1CC[NH2+]C1 ZINC000903577247 637373197 /nfs/dbraw/zinc/37/31/97/637373197.db2.gz HMMYQOZMBQWFBF-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP CC[N@@H+](CCC(N)=O)CC[C@@H]1CCC[NH2+]C1 ZINC000903577586 637374673 /nfs/dbraw/zinc/37/46/73/637374673.db2.gz OMATUBILIHTJKV-NSHDSACASA-N 2 0 227.352 0.573 20 0 BCADRP CC[N@H+](CCC(N)=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903577248 637374854 /nfs/dbraw/zinc/37/48/54/637374854.db2.gz HOCPMEDRYSKOTC-ZJUUUORDSA-N 2 0 213.325 0.039 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cn(C)nn2)CC[C@@H]1C[NH3+] ZINC000903788268 637381210 /nfs/dbraw/zinc/38/12/10/637381210.db2.gz HIKVHDMTZOSVSU-NXEZZACHSA-N 2 0 223.324 0.232 20 0 BCADRP C[C@H]1C[N@H+](Cc2ccn(C)n2)CC[C@@H]1C[NH3+] ZINC000903789618 637384111 /nfs/dbraw/zinc/38/41/11/637384111.db2.gz YMZKTABHRMIMSP-WDEREUQCSA-N 2 0 222.336 0.837 20 0 BCADRP [NH3+]CC1CC([NH2+]Cc2cncc(O)c2)C1 ZINC000904432863 637400968 /nfs/dbraw/zinc/40/09/68/637400968.db2.gz ICFSXTHJHZMKBK-UHFFFAOYSA-N 2 0 207.277 0.614 20 0 BCADRP C[C@@H]1C[C@@H](C[NH2+][C@H]2C[NH2+]CC2(C)C)CC[NH2+]1 ZINC000904461396 637406045 /nfs/dbraw/zinc/40/60/45/637406045.db2.gz IXIXJAKCWSOUFG-WOPDTQHZSA-N 3 0 225.380 0.962 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000904462299 637407167 /nfs/dbraw/zinc/40/71/67/637407167.db2.gz UFMFGPPWLCCEQD-WCQYABFASA-N 2 0 225.380 0.964 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000904461869 637407242 /nfs/dbraw/zinc/40/72/42/637407242.db2.gz PENQEQQQJHGCHV-YZRBJQDESA-N 2 0 209.337 0.326 20 0 BCADRP C[C@]1(C[NH2+]CCCON)CCC[NH2+]C1 ZINC000904457464 637418675 /nfs/dbraw/zinc/41/86/75/637418675.db2.gz PZYPVFIEVYDWKE-JTQLQIEISA-N 2 0 201.314 0.246 20 0 BCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000904459800 637421062 /nfs/dbraw/zinc/42/10/62/637421062.db2.gz XFTJWMIYXMYAMI-MRVWCRGKSA-N 2 0 231.343 0.953 20 0 BCADRP CC(C)C[C@H]([NH3+])CN[C@H]1C[NH2+]CC1(C)C ZINC000904460896 637421159 /nfs/dbraw/zinc/42/11/59/637421159.db2.gz BHMRHPCSSOTEHH-QWRGUYRKSA-N 2 0 213.369 0.947 20 0 BCADRP CC[N@H+](CCC(=O)NC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000904469469 637424234 /nfs/dbraw/zinc/42/42/34/637424234.db2.gz MZJJPNHYOCZPJZ-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+]CCC[NH2+][C@]12CC(=O)N[C@H]1CCCC2 ZINC000904474280 637426282 /nfs/dbraw/zinc/42/62/82/637426282.db2.gz XCZDHZGABQLDKH-GXSJLCMTSA-N 2 0 211.309 0.126 20 0 BCADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](C)C)C1 ZINC000905050742 637569653 /nfs/dbraw/zinc/56/96/53/637569653.db2.gz PNIJFNFIBQGJFN-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@H](C[NH3+])n1cc(C[NH2+]C(C)(C)C)nn1 ZINC000905057265 637591165 /nfs/dbraw/zinc/59/11/65/637591165.db2.gz OBPIAZSUZSCEBA-MRVPVSSYSA-N 2 0 211.313 0.686 20 0 BCADRP C[C@@H](C[NH3+])n1cc(C[NH2+]C(C)(C)C)nn1 ZINC000905057266 637592214 /nfs/dbraw/zinc/59/22/14/637592214.db2.gz OBPIAZSUZSCEBA-QMMMGPOBSA-N 2 0 211.313 0.686 20 0 BCADRP CC(C)([NH3+])Cc1nc(CC2CC[NH2+]CC2)no1 ZINC000905316462 637743208 /nfs/dbraw/zinc/74/32/08/637743208.db2.gz CLISQWLBWLTQAC-UHFFFAOYSA-N 2 0 238.335 0.892 20 0 BCADRP C(c1noc([C@H]2CC[NH2+]2)n1)C1CC[NH2+]CC1 ZINC000905314488 637744034 /nfs/dbraw/zinc/74/40/34/637744034.db2.gz QPGPGOVFIUZNII-SECBINFHSA-N 2 0 222.292 0.646 20 0 BCADRP [NH3+]CCOCc1nc(CC2CC[NH2+]CC2)no1 ZINC000905316112 637745016 /nfs/dbraw/zinc/74/50/16/637745016.db2.gz ANZXHWALJOEROJ-UHFFFAOYSA-N 2 0 240.307 0.087 20 0 BCADRP [NH3+]C1(c2noc([C@@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)CCC1 ZINC000905304983 637762489 /nfs/dbraw/zinc/76/24/89/637762489.db2.gz PZLAZSTVIPULNO-HRDYMLBCSA-N 2 0 234.303 0.730 20 0 BCADRP C[NH+](C)CCCNC(=S)NC[C@@H]1CC[N@@H+]1C ZINC000905653898 637872442 /nfs/dbraw/zinc/87/24/42/637872442.db2.gz YJNVFTGSFYHWJE-JTQLQIEISA-N 2 0 244.408 0.106 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000906091978 638048361 /nfs/dbraw/zinc/04/83/61/638048361.db2.gz RJSASJYUNOAJFW-HBNTYKKESA-N 2 0 227.352 0.617 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000906091313 638049063 /nfs/dbraw/zinc/04/90/63/638049063.db2.gz CJBNMXFCDQRIMV-QJPTWQEYSA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000906092193 638049505 /nfs/dbraw/zinc/04/95/05/638049505.db2.gz UPIPMFDCNKRXJO-HRDYMLBCSA-N 2 0 201.314 0.212 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000906092026 638049752 /nfs/dbraw/zinc/04/97/52/638049752.db2.gz SLAVQAYVLWAXJM-HBNTYKKESA-N 2 0 227.352 0.556 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000906097210 638053879 /nfs/dbraw/zinc/05/38/79/638053879.db2.gz MISBGPLCMRCVEX-WZRBSPASSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)c1cc(C[NH3+])ccn1 ZINC000906226747 638119032 /nfs/dbraw/zinc/11/90/32/638119032.db2.gz DWPRPBCGGRCKOO-UHFFFAOYSA-N 2 0 236.319 0.501 20 0 BCADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000906507615 638180061 /nfs/dbraw/zinc/18/00/61/638180061.db2.gz AZWNSJQJQRXALO-HAQNSBGRSA-N 2 0 243.314 0.847 20 0 BCADRP NC(=O)COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1 ZINC000906508631 638181168 /nfs/dbraw/zinc/18/11/68/638181168.db2.gz SBIZNCJUMCCNHP-XYPYZODXSA-N 2 0 249.314 0.130 20 0 BCADRP [NH3+]C1CC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000906511497 638185420 /nfs/dbraw/zinc/18/54/20/638185420.db2.gz XVSPKPSUHZJDHM-TWFPBLDLSA-N 3 0 209.337 0.454 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)[NH+](C)C ZINC000908349726 638660759 /nfs/dbraw/zinc/66/07/59/638660759.db2.gz SSPBDLUECQIRPY-GRYCIOLGSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918202 711469154 /nfs/dbraw/zinc/46/91/54/711469154.db2.gz MRFTYXKMWQVWNS-SRVKXCTJSA-N 2 0 212.337 0.831 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000911621829 639683075 /nfs/dbraw/zinc/68/30/75/639683075.db2.gz BRTYXPSUAVUMGP-WDEREUQCSA-N 2 0 227.352 0.700 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCC([NH3+])CC1 ZINC000911619486 639683180 /nfs/dbraw/zinc/68/31/80/639683180.db2.gz IYONNGIUEHHUFW-ONGXEEELSA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911622881 639684570 /nfs/dbraw/zinc/68/45/70/639684570.db2.gz JTDUHGLIESNYCD-NWDGAFQWSA-N 2 0 239.363 0.809 20 0 BCADRP CC(C)(C[NH3+])CC(=O)NC1CC[NH2+]CC1 ZINC000911628063 639687033 /nfs/dbraw/zinc/68/70/33/639687033.db2.gz HHSJXIBHASGAQS-UHFFFAOYSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)C23CC(C2)C[NH2+]3)C1 ZINC000911630871 639691063 /nfs/dbraw/zinc/69/10/63/639691063.db2.gz VPGLGPGDDGDPJQ-XSRFYTQQSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])C1 ZINC000911633523 639691677 /nfs/dbraw/zinc/69/16/77/639691677.db2.gz HFTPRWOGAUEOKX-GMTAPVOTSA-N 2 0 225.336 0.039 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N1CCC(C[NH3+])CC1 ZINC000911670605 639696563 /nfs/dbraw/zinc/69/65/63/639696563.db2.gz NNJUMYYSDGHQLF-NSHDSACASA-N 2 0 241.379 0.947 20 0 BCADRP C[NH2+]C1(C(=O)N2CCC(C[NH3+])CC2)CCC1 ZINC000911671129 639697434 /nfs/dbraw/zinc/69/74/34/639697434.db2.gz WWGDLXKRUZOMNQ-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC000911670365 639697585 /nfs/dbraw/zinc/69/75/85/639697585.db2.gz KNPLWYDEBWSCFV-CMPLNLGQSA-N 2 0 241.379 0.947 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000911654932 639708822 /nfs/dbraw/zinc/70/88/22/639708822.db2.gz DFKFLDQQWPFLFW-NWDGAFQWSA-N 2 0 239.363 0.680 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C[C@@H]([NH3+])CC(C)C)C1 ZINC000911654822 639709679 /nfs/dbraw/zinc/70/96/79/639709679.db2.gz CSWKXTRCLNDOMF-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]1[NH2+]CCn2c(C(=O)N3CC[C@@H]([NH3+])C3)ccc21 ZINC000911652452 639709911 /nfs/dbraw/zinc/70/99/11/639709911.db2.gz TVMMXMDJKQNUAQ-NXEZZACHSA-N 2 0 248.330 0.326 20 0 BCADRP O=C(C1=CCC[NH2+]CC1)N1CCC[NH2+]CC1 ZINC000911656354 639711208 /nfs/dbraw/zinc/71/12/08/639711208.db2.gz NPXJULMFAZIVKR-UHFFFAOYSA-N 2 0 223.320 0.118 20 0 BCADRP C[NH2+]CCCCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911672641 639715097 /nfs/dbraw/zinc/71/50/97/639715097.db2.gz FNFIXZQKVIKBKR-SNVBAGLBSA-N 2 0 213.325 0.244 20 0 BCADRP [NH3+]CCCSCCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911674541 639715195 /nfs/dbraw/zinc/71/51/95/639715195.db2.gz UGCOYNGLHUAGIM-SNVBAGLBSA-N 2 0 245.392 0.327 20 0 BCADRP C[NH2+]Cc1cccc(NC(=O)C[C@H](O)C[NH3+])c1 ZINC000911688996 639727924 /nfs/dbraw/zinc/72/79/24/639727924.db2.gz XZCFDHVJFKGTSS-NSHDSACASA-N 2 0 237.303 0.054 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]([NH3+])C[C@@H](C)CC ZINC000911688993 639728806 /nfs/dbraw/zinc/72/88/06/639728806.db2.gz XVILUTATHHMGNJ-WDEREUQCSA-N 2 0 229.368 0.866 20 0 BCADRP [NH3+][C@@H](C(=O)N[C@H]1CC[NH2+]C1)C1CCCCCC1 ZINC000911698858 639732454 /nfs/dbraw/zinc/73/24/54/639732454.db2.gz LUXZFGFFASGMFO-NWDGAFQWSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000911698418 639733197 /nfs/dbraw/zinc/73/31/97/639733197.db2.gz HFXHPNBQTPDTNK-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000911673882 639734669 /nfs/dbraw/zinc/73/46/69/639734669.db2.gz YSBVETXDNRQXQM-MNOVXSKESA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911673881 639735230 /nfs/dbraw/zinc/73/52/30/639735230.db2.gz YSBVETXDNRQXQM-GHMZBOCLSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000911712338 639737407 /nfs/dbraw/zinc/73/74/07/639737407.db2.gz AKJAYUXXRGIPOY-UTUOFQBUSA-N 2 0 239.363 0.701 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000911712422 639738110 /nfs/dbraw/zinc/73/81/10/639738110.db2.gz BADCDKDBPJANMT-NEPJUHHUSA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000911712426 639738434 /nfs/dbraw/zinc/73/84/34/639738434.db2.gz BADCDKDBPJANMT-RYUDHWBXSA-N 2 0 241.379 0.947 20 0 BCADRP O=C(NC[C@H]1CCCC[NH2+]1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911713038 639739552 /nfs/dbraw/zinc/73/95/52/639739552.db2.gz DTHKKDDJFQOUJQ-WYUUTHIRSA-N 2 0 237.347 0.100 20 0 BCADRP [NH3+][C@@H]1C[C@H](C(=O)NC[C@H]2CCCC[NH2+]2)[C@H]2C[C@H]21 ZINC000911714105 639740492 /nfs/dbraw/zinc/74/04/92/639740492.db2.gz NTVMVRGGZQGAAY-CSYMLDBXSA-N 2 0 237.347 0.228 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000911718189 639743895 /nfs/dbraw/zinc/74/38/95/639743895.db2.gz IPFNAUWQJMBDCK-GWOFURMSSA-N 2 0 225.336 0.086 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911722884 639745301 /nfs/dbraw/zinc/74/53/01/639745301.db2.gz VZKJCHNBFSMIRF-WHOHXGKFSA-N 2 0 237.347 0.182 20 0 BCADRP C[NH2+]CCCCC(=O)N1CC[NH2+]C[C@@H]1C ZINC000911722054 639745440 /nfs/dbraw/zinc/74/54/40/639745440.db2.gz OSWJCLFIPRMWIT-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP C[NH2+]C1CC(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000911721604 639745661 /nfs/dbraw/zinc/74/56/61/639745661.db2.gz WZUDHXPUZNUAET-QYNFOATHSA-N 2 0 239.363 0.489 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]([NH3+])C[C@H](C)CC ZINC000911751031 639778076 /nfs/dbraw/zinc/77/80/76/639778076.db2.gz TUGUJXQOLIUCHR-NXEZZACHSA-N 2 0 215.341 0.476 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911705743 639758644 /nfs/dbraw/zinc/75/86/44/639758644.db2.gz BVYCLPVAPIIILV-WYUUTHIRSA-N 2 0 237.347 0.039 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911706746 639760050 /nfs/dbraw/zinc/76/00/50/639760050.db2.gz IGXCVOCEJLHMCT-WRWGMCAJSA-N 2 0 237.347 0.243 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000911707141 639761100 /nfs/dbraw/zinc/76/11/00/639761100.db2.gz KVKUFIOKRXHPHM-GHMZBOCLSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@H](O)[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930461389 639761395 /nfs/dbraw/zinc/76/13/95/639761395.db2.gz VXCOWRSEHALIJF-GVWAJWJKSA-N 2 0 242.363 0.285 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C[C@H]([NH3+])C(C)(C)C)C1 ZINC000911737273 639761661 /nfs/dbraw/zinc/76/16/61/639761661.db2.gz UHZGOIZFVFCUST-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)c2ccccc2C[NH3+])C1 ZINC000911736566 639761799 /nfs/dbraw/zinc/76/17/99/639761799.db2.gz LWFQJAGXNPSNOY-LBPRGKRZSA-N 2 0 247.342 0.969 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000911737048 639761842 /nfs/dbraw/zinc/76/18/42/639761842.db2.gz QWPDOHIZEWFPTG-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)C1 ZINC000911735720 639761901 /nfs/dbraw/zinc/76/19/01/639761901.db2.gz LHSGVDUGMPUJOO-LOWVWBTDSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CCC[C@H]([NH2+]C)C2)C1 ZINC000911735845 639762058 /nfs/dbraw/zinc/76/20/58/639762058.db2.gz DPPVPOWDIZYNRQ-YVNMAJEFSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C(C)(C)C)C1 ZINC000911737271 639763217 /nfs/dbraw/zinc/76/32/17/639763217.db2.gz UHZGOIZFVFCUST-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911737822 639765057 /nfs/dbraw/zinc/76/50/57/639765057.db2.gz ZJNBJSVTMNJBEL-WYUUTHIRSA-N 2 0 237.347 0.052 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000911741448 639768562 /nfs/dbraw/zinc/76/85/62/639768562.db2.gz SISFUHMHOMYRPB-CMPLNLGQSA-N 2 0 229.368 0.851 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000911741449 639769776 /nfs/dbraw/zinc/76/97/76/639769776.db2.gz SISFUHMHOMYRPB-JQWIXIFHSA-N 2 0 229.368 0.851 20 0 BCADRP C[NH2+]CCNC(=O)C[C@H]([NH3+])CC(C)C ZINC000911748028 639772814 /nfs/dbraw/zinc/77/28/14/639772814.db2.gz IBCADGJJSMMEGG-SECBINFHSA-N 2 0 201.314 0.086 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NCC[NH2+]C ZINC000911749173 639774984 /nfs/dbraw/zinc/77/49/84/639774984.db2.gz XLTCHRVCIIGXCA-IUCAKERBSA-N 2 0 201.314 0.086 20 0 BCADRP CC[NH2+]CCNC(=O)c1ccccc1C[NH3+] ZINC000911750406 639776012 /nfs/dbraw/zinc/77/60/12/639776012.db2.gz IWZFFYHEFIVVLQ-UHFFFAOYSA-N 2 0 221.304 0.485 20 0 BCADRP CC(C)(C[NH3+])CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000911751498 639778656 /nfs/dbraw/zinc/77/86/56/639778656.db2.gz KTLCUTCQQOPHQX-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000911752110 639778676 /nfs/dbraw/zinc/77/86/76/639778676.db2.gz JZXKVEZGVDZCTP-MWLCHTKSSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911751546 639779962 /nfs/dbraw/zinc/77/99/62/639779962.db2.gz LSXYKROFGMBJMH-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CCC([C@H](C)[NH3+])CC2)C1 ZINC000911752517 639781439 /nfs/dbraw/zinc/78/14/39/639781439.db2.gz FARCGJBIMDGPLW-GCVQQVDUSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+]CCCCC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911752856 639781958 /nfs/dbraw/zinc/78/19/58/639781958.db2.gz YHPBEONZCBXUQR-JTQLQIEISA-N 2 0 213.325 0.244 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000911753003 639782170 /nfs/dbraw/zinc/78/21/70/639782170.db2.gz WUOSPKWFRSFLMZ-LBPRGKRZSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911753457 639782229 /nfs/dbraw/zinc/78/22/29/639782229.db2.gz CHNDOJAMXQULLK-QWRGUYRKSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]CCCSCCC(=O)NC[C@H]1CCC[NH2+]1 ZINC000911754412 639785083 /nfs/dbraw/zinc/78/50/83/639785083.db2.gz KGXDPRNLUYAINR-SNVBAGLBSA-N 2 0 245.392 0.327 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000911733891 639788057 /nfs/dbraw/zinc/78/80/57/639788057.db2.gz DVDFRVGJRAFFDD-GMTAPVOTSA-N 2 0 225.336 0.039 20 0 BCADRP C[NH2+]CCCCC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911782776 639799991 /nfs/dbraw/zinc/79/99/91/639799991.db2.gz MZLZXZZPWOUPBU-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000911766266 639791593 /nfs/dbraw/zinc/79/15/93/639791593.db2.gz ZQBGZZIMTLUAST-SDDRHHMPSA-N 2 0 233.315 0.397 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NC(C)(C)C[NH3+] ZINC000911764881 639791824 /nfs/dbraw/zinc/79/18/24/639791824.db2.gz OXCMUUFQFAWTGR-RKDXNWHRSA-N 2 0 213.325 0.086 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911768001 639793606 /nfs/dbraw/zinc/79/36/06/639793606.db2.gz NXIKFVIGBWYXHZ-SRVKXCTJSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)c1ccc2c(n1)C[NH2+]CC2 ZINC000911814226 639801454 /nfs/dbraw/zinc/80/14/54/639801454.db2.gz QJBOQVZKOSXKTE-VIFPVBQESA-N 2 0 248.330 0.147 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911788878 639805415 /nfs/dbraw/zinc/80/54/15/639805415.db2.gz SHAZPHISFRVDFX-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]C1CCN(C(=O)C[C@@H]([NH3+])CC(C)C)CC1 ZINC000911786898 639806026 /nfs/dbraw/zinc/80/60/26/639806026.db2.gz JKRZWQLXCLMPIN-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)N1CCC([NH2+]C)CC1 ZINC000911787820 639806031 /nfs/dbraw/zinc/80/60/31/639806031.db2.gz VULOJFOBHBKZAL-ZYHUDNBSSA-N 2 0 241.379 0.960 20 0 BCADRP CN(C(=O)C[C@H]([NH3+])C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000911787171 639806101 /nfs/dbraw/zinc/80/61/01/639806101.db2.gz HUBUMADTYWBSLQ-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)CC1 ZINC000911786916 639806206 /nfs/dbraw/zinc/80/62/06/639806206.db2.gz KGJVQWAUDUQDSL-MFKMUULPSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH2+]C1(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CCC1 ZINC000911793881 639807945 /nfs/dbraw/zinc/80/79/45/639807945.db2.gz DNOMTDVEQRQVCK-AOOOYVTPSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C[C@H](C)[NH2+]1 ZINC000911796665 639808522 /nfs/dbraw/zinc/80/85/22/639808522.db2.gz OTNNRMWCGOEXAF-LVEVGFFFSA-N 2 0 237.347 0.051 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C[C@H](C)[NH2+]1 ZINC000911796663 639818976 /nfs/dbraw/zinc/81/89/76/639818976.db2.gz OTNNRMWCGOEXAF-CSYMLDBXSA-N 2 0 237.347 0.051 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C[C@@H](C)[NH2+]1 ZINC000911796664 639819240 /nfs/dbraw/zinc/81/92/40/639819240.db2.gz OTNNRMWCGOEXAF-JCIQBVFBSA-N 2 0 237.347 0.051 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[C@H](C)[NH2+]1 ZINC000911794494 639819496 /nfs/dbraw/zinc/81/94/96/639819496.db2.gz GAVSTVWVFCPDNM-RNWYCLNJSA-N 2 0 237.347 0.336 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]([NH3+])C(C)(C)C)C[C@H](C)[NH2+]1 ZINC000911796276 639819665 /nfs/dbraw/zinc/81/96/65/639819665.db2.gz NGMCXLSPOJGLCT-AXFHLTTASA-N 2 0 241.379 0.959 20 0 BCADRP C[NH2+]CCCCC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000911799499 639820136 /nfs/dbraw/zinc/82/01/36/639820136.db2.gz YXDQWFPNYCTZTB-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]1CN(C(=O)C23CCC(CC2)[NH2+]3)C[C@H](C)[NH2+]1 ZINC000911799391 639820455 /nfs/dbraw/zinc/82/04/55/639820455.db2.gz XTUNYABTCJJYQA-UYVFGJEYSA-N 2 0 237.347 0.480 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)C[C@H](C)[NH2+]1 ZINC000911799573 639820460 /nfs/dbraw/zinc/82/04/60/639820460.db2.gz HURDOEDGENQBBQ-NOHGZBONSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@@H]1CN(C(=O)C23CCC(CC2)[NH2+]3)C[C@@H](C)[NH2+]1 ZINC000911799387 639820884 /nfs/dbraw/zinc/82/08/84/639820884.db2.gz XTUNYABTCJJYQA-IXYVEGFRSA-N 2 0 237.347 0.480 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)C1CC1 ZINC000911798983 639821375 /nfs/dbraw/zinc/82/13/75/639821375.db2.gz DFMRLLFTKDISLZ-MPPDQPJWSA-N 2 0 237.347 0.086 20 0 BCADRP C[NH2+]C1CC(C(=O)N[C@@](C)(C[NH3+])C2CC2)C1 ZINC000911800218 639821858 /nfs/dbraw/zinc/82/18/58/639821858.db2.gz PWQQJLJZLODWHB-VCJLRHCSSA-N 2 0 225.336 0.228 20 0 BCADRP C[NH2+]C1CC(C(=O)N[C@](C)(C[NH3+])C2CC2)C1 ZINC000911800216 639822461 /nfs/dbraw/zinc/82/24/61/639822461.db2.gz PWQQJLJZLODWHB-HSLLBKHCSA-N 2 0 225.336 0.228 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911800729 639822532 /nfs/dbraw/zinc/82/25/32/639822532.db2.gz XKPIEMAGRFRDKU-OUAUKWLOSA-N 2 0 239.363 0.476 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911800692 639823105 /nfs/dbraw/zinc/82/31/05/639823105.db2.gz VTKWZKUUYFOMOZ-RKDXNWHRSA-N 2 0 213.325 0.215 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911800715 639823178 /nfs/dbraw/zinc/82/31/78/639823178.db2.gz WPQMDCWRHDQZEE-YTWAJWBKSA-N 2 0 239.363 0.603 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)C1=CCC[NH2+]CC1)C1CC1 ZINC000911802897 639824305 /nfs/dbraw/zinc/82/43/05/639824305.db2.gz MHNQADLAXGZNNV-ZDUSSCGKSA-N 2 0 237.347 0.540 20 0 BCADRP CC(C)(C[NH3+])CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911802362 639824632 /nfs/dbraw/zinc/82/46/32/639824632.db2.gz JFFKFODCCDMRQQ-GFCCVEGCSA-N 2 0 227.352 0.605 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911801648 639824948 /nfs/dbraw/zinc/82/49/48/639824948.db2.gz FJRQUYNXJPMFBE-XHVZSJERSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911812397 639834195 /nfs/dbraw/zinc/83/41/95/639834195.db2.gz GULZNORCPQAYAF-MJDLHHQISA-N 2 0 239.363 0.459 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000911813101 639834876 /nfs/dbraw/zinc/83/48/76/639834876.db2.gz LKTIJNAZEMEZJO-IUCAKERBSA-N 2 0 233.381 0.263 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000911819472 639835497 /nfs/dbraw/zinc/83/54/97/639835497.db2.gz DMJYOZHMCQQABX-UTUOFQBUSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)CC[C@H]1[NH3+] ZINC000911821058 639835890 /nfs/dbraw/zinc/83/58/90/639835890.db2.gz UFEJEFRBRPIFOP-UZWSLXQKSA-N 2 0 237.347 0.324 20 0 BCADRP C[NH2+]C1CC(C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000911823869 639837620 /nfs/dbraw/zinc/83/76/20/639837620.db2.gz AIDXPRJJDVEILG-RTBKNWGFSA-N 2 0 213.325 0.084 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CC1CC([NH3+])C1 ZINC000911824978 639838285 /nfs/dbraw/zinc/83/82/85/639838285.db2.gz FJUGXYMFIUXEEW-RTBKNWGFSA-N 2 0 213.325 0.213 20 0 BCADRP C[NH2+]CCCCC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000911823667 639838348 /nfs/dbraw/zinc/83/83/48/639838348.db2.gz MKOAMOCYTVFFEB-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+]CCCCC(=O)NC[C@H]([NH3+])C(C)C ZINC000911826817 639839415 /nfs/dbraw/zinc/83/94/15/639839415.db2.gz QOBHEHSUROBESH-JTQLQIEISA-N 2 0 215.341 0.476 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000911829990 639840572 /nfs/dbraw/zinc/84/05/72/639840572.db2.gz FPWAABDUCHDYEE-NTZNESFSSA-N 2 0 241.379 0.994 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000911832746 639844156 /nfs/dbraw/zinc/84/41/56/639844156.db2.gz IHUCYMGHEXFUOA-VHSXEESVSA-N 2 0 245.392 0.310 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911833325 639845529 /nfs/dbraw/zinc/84/55/29/639845529.db2.gz KRVJWZFYDZWKED-RYUDHWBXSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911833899 639845837 /nfs/dbraw/zinc/84/58/37/639845837.db2.gz LRKABXLYPJMYSC-MNOVXSKESA-N 2 0 227.352 0.603 20 0 BCADRP C[C@H]1CN(C(=O)c2ccccc2C[NH3+])CC[C@H]1[NH3+] ZINC000911817696 639850036 /nfs/dbraw/zinc/85/00/36/639850036.db2.gz JCQJRIKUTXUSAJ-GXFFZTMASA-N 2 0 247.342 0.955 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)CC1CC([NH3+])C1 ZINC000911864647 639852121 /nfs/dbraw/zinc/85/21/21/639852121.db2.gz LPTWFOVEQQNXKZ-UHFFFAOYSA-N 2 0 227.352 0.557 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911867132 639852260 /nfs/dbraw/zinc/85/22/60/639852260.db2.gz GMFQLUGKFDCZFA-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH2+]C ZINC000911869528 639853245 /nfs/dbraw/zinc/85/32/45/639853245.db2.gz WMIHKBSJNMQOAL-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000911868748 639853296 /nfs/dbraw/zinc/85/32/96/639853296.db2.gz QISDLJNELWCEQQ-IJLUTSLNSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)CC(C)(C)C[NH3+] ZINC000911868394 639853448 /nfs/dbraw/zinc/85/34/48/639853448.db2.gz PADUBGRJFGPWBD-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911869013 639853722 /nfs/dbraw/zinc/85/37/22/639853722.db2.gz UNZWIXVMOVCYSD-YTWAJWBKSA-N 2 0 239.363 0.413 20 0 BCADRP CC(C)([NH3+])CNC(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911846208 639856459 /nfs/dbraw/zinc/85/64/59/639856459.db2.gz OFKYTFROJHANDE-QMMMGPOBSA-N 2 0 215.341 0.603 20 0 BCADRP C[C@@H]1C[C@H](C(=O)N2CCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC000911851177 639857916 /nfs/dbraw/zinc/85/79/16/639857916.db2.gz FTRKBKDGPWZGAY-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)(C[NH3+])CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000911851415 639858321 /nfs/dbraw/zinc/85/83/21/639858321.db2.gz IHWZOSLTLXCEEH-SECBINFHSA-N 2 0 213.325 0.311 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000911851388 639858613 /nfs/dbraw/zinc/85/86/13/639858613.db2.gz HGLJPUQDPJVWCT-NXEZZACHSA-N 2 0 227.352 0.700 20 0 BCADRP [NH3+][C@@H]1C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]2C[C@H]21 ZINC000911852861 639859679 /nfs/dbraw/zinc/85/96/79/639859679.db2.gz TUXFCPXWNQNAQA-ZEPSMKPISA-N 2 0 249.358 0.323 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C12CCC(CC1)[NH2+]2 ZINC000911858111 639862090 /nfs/dbraw/zinc/86/20/90/639862090.db2.gz MPHUYWSZIVNXGR-UHFFFAOYSA-N 2 0 239.363 0.905 20 0 BCADRP C[C@@H](C1CC1)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000930851225 639945627 /nfs/dbraw/zinc/94/56/27/639945627.db2.gz YJKYOEQITFDQML-NSHDSACASA-N 2 0 239.363 0.491 20 0 BCADRP CC(C)NC(=O)CCN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279704 640126643 /nfs/dbraw/zinc/12/66/43/640126643.db2.gz ONMBIFUPAWUKOH-PJXYFTJBSA-N 2 0 239.363 0.393 20 0 BCADRP CC[NH+](CC)CCCN1CC[N@H+](C)[C@@H](CO)C1 ZINC000931402124 640182030 /nfs/dbraw/zinc/18/20/30/640182030.db2.gz SFCLYDXWZVLTOP-CYBMUJFWSA-N 2 0 243.395 0.327 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]2C1 ZINC000931432690 640199095 /nfs/dbraw/zinc/19/90/95/640199095.db2.gz ADTLQBCUUPEXML-NEPJUHHUSA-N 2 0 237.347 0.102 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC(=O)O3)C[C@@H]2C1 ZINC000931438797 640201182 /nfs/dbraw/zinc/20/11/82/640201182.db2.gz OSRQZIUVEQYEBJ-GRYCIOLGSA-N 2 0 238.331 0.576 20 0 BCADRP COCCOCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436929 640204529 /nfs/dbraw/zinc/20/45/29/640204529.db2.gz VIVGUKVCIWYPSI-QWHCGFSZSA-N 2 0 242.363 0.533 20 0 BCADRP COC[C@H](C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)OC ZINC000931441944 640204858 /nfs/dbraw/zinc/20/48/58/640204858.db2.gz RPYSNJYQQQSLRE-XQQFMLRXSA-N 2 0 242.363 0.531 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CC[NH2+]CC1 ZINC000129468672 640208484 /nfs/dbraw/zinc/20/84/84/640208484.db2.gz TWIPMYVFMFYMKC-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH+]3CCC3)C2)C1 ZINC000912906509 640234644 /nfs/dbraw/zinc/23/46/44/640234644.db2.gz FXGAVKCGHZUERH-NEPJUHHUSA-N 2 0 237.347 0.245 20 0 BCADRP CNC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931725652 640338770 /nfs/dbraw/zinc/33/87/70/640338770.db2.gz BVLDMDLPSRKLPF-MNOVXSKESA-N 2 0 225.336 0.291 20 0 BCADRP C[NH+](C)CC(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913290538 640349342 /nfs/dbraw/zinc/34/93/42/640349342.db2.gz YPPLFCMAPKRGSU-STQMWFEESA-N 2 0 239.363 0.348 20 0 BCADRP C[NH+](C)CC(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913397596 640364930 /nfs/dbraw/zinc/36/49/30/640364930.db2.gz BIRIQHBPUQYMLK-UHFFFAOYSA-N 2 0 227.352 0.491 20 0 BCADRP CCN(CC)C(=O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000044518377 640398798 /nfs/dbraw/zinc/39/87/98/640398798.db2.gz VRGGFYXMMMQSME-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP Cn1cc(C[NH2+]CC2CC[NH+](C)CC2)cn1 ZINC000044516138 640399264 /nfs/dbraw/zinc/39/92/64/640399264.db2.gz OKHOGTBEVQGOST-UHFFFAOYSA-N 2 0 222.336 0.852 20 0 BCADRP CN(C)C(=O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000044518381 640399987 /nfs/dbraw/zinc/39/99/87/640399987.db2.gz SLJNLIMOCOADDS-UHFFFAOYSA-N 2 0 213.325 0.006 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726826 640462251 /nfs/dbraw/zinc/46/22/51/640462251.db2.gz IEFITJFYOJKWMI-RKDXNWHRSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@H](CNC(=O)C1(C[NH3+])CCCC1)[NH+](C)C ZINC000045108008 640501501 /nfs/dbraw/zinc/50/15/01/640501501.db2.gz PNLOHDJSSCHNGU-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000223026381 640526374 /nfs/dbraw/zinc/52/63/74/640526374.db2.gz AHZURZAQXJYQDI-BBBLOLIVSA-N 2 0 234.365 0.279 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000167200340 640706621 /nfs/dbraw/zinc/70/66/21/640706621.db2.gz RZXQOTVLYLHXLF-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000877102725 640748201 /nfs/dbraw/zinc/74/82/01/640748201.db2.gz MUXHIHRTNAGUFY-GXFFZTMASA-N 2 0 235.331 0.666 20 0 BCADRP CCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000227767864 640848111 /nfs/dbraw/zinc/84/81/11/640848111.db2.gz DKQZCWUTVYWOEY-VHSXEESVSA-N 2 0 213.325 0.039 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227768348 640848270 /nfs/dbraw/zinc/84/82/70/640848270.db2.gz PCQJVSZRMPQSOD-LPEHRKFASA-N 2 0 213.325 0.167 20 0 BCADRP [NH2+]=C(NCCC[NH+]1CCCC1)NC1CC1 ZINC000060394392 640858977 /nfs/dbraw/zinc/85/89/77/640858977.db2.gz XUGGGMHSAULGHS-UHFFFAOYSA-N 2 0 210.325 0.749 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C[C@@H]([NH3+])C2CC2)CC[N@@H+]1C ZINC000228541426 640879659 /nfs/dbraw/zinc/87/96/59/640879659.db2.gz KKQPPIOPTIUYRQ-ADEWGFFLSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229256764 640939405 /nfs/dbraw/zinc/93/94/05/640939405.db2.gz MHCBBCLUKGKVDM-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229257039 640939490 /nfs/dbraw/zinc/93/94/90/640939490.db2.gz WFYKQKJPKCGMGT-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229257779 640939502 /nfs/dbraw/zinc/93/95/02/640939502.db2.gz DGTUQKOEUJWAOW-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229258323 640939900 /nfs/dbraw/zinc/93/99/00/640939900.db2.gz GSXOCLCQCYJLDV-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP CCC[C@@H]([NH3+])c1cn(CC[NH+](C)C)nn1 ZINC000229959013 640997092 /nfs/dbraw/zinc/99/70/92/640997092.db2.gz ZLZZCTLKUQLBNX-SECBINFHSA-N 2 0 211.313 0.640 20 0 BCADRP COC[C@@H](O)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000230142867 641030005 /nfs/dbraw/zinc/03/00/05/641030005.db2.gz FRJJZRUVACICII-LBPRGKRZSA-N 2 0 230.352 0.315 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C[C@H]([NH3+])C1CC1 ZINC000230711970 641086614 /nfs/dbraw/zinc/08/66/14/641086614.db2.gz VKGFLBPDEMJNND-LBPRGKRZSA-N 2 0 241.379 0.914 20 0 BCADRP Cn1nccc1CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000230772641 641094487 /nfs/dbraw/zinc/09/44/87/641094487.db2.gz OXUNMHZFNFEIOW-GHMZBOCLSA-N 2 0 222.336 0.822 20 0 BCADRP Cn1nccc1CC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000230749835 641097273 /nfs/dbraw/zinc/09/72/73/641097273.db2.gz OFLFJCRJRKHODE-LLVKDONJSA-N 2 0 222.336 0.633 20 0 BCADRP C[NH+]1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000062861620 641101133 /nfs/dbraw/zinc/10/11/33/641101133.db2.gz UKZQNODPEGBZIV-LBPRGKRZSA-N 2 0 211.353 0.624 20 0 BCADRP C[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)[NH+](C)C ZINC000062896968 641106117 /nfs/dbraw/zinc/10/61/17/641106117.db2.gz CSMBBSLHTTURCE-ONGXEEELSA-N 2 0 213.325 0.052 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062972990 641114260 /nfs/dbraw/zinc/11/42/60/641114260.db2.gz NYXFAOHKZXYPRF-LLVKDONJSA-N 2 0 225.336 0.293 20 0 BCADRP CC[NH2+]CC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063123904 641135048 /nfs/dbraw/zinc/13/50/48/641135048.db2.gz LNXYTVDLGCAKSR-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP C[C@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200409 641146545 /nfs/dbraw/zinc/14/65/45/641146545.db2.gz GOKGARYTRXUUNA-JQWIXIFHSA-N 2 0 212.337 0.831 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000234264854 641160081 /nfs/dbraw/zinc/16/00/81/641160081.db2.gz WKUMLTTYBBXUEO-STQMWFEESA-N 3 0 243.395 0.672 20 0 BCADRP C[N@H+](C[C@H](O)CC(F)(F)F)C1CC[NH2+]CC1 ZINC000307938300 641195106 /nfs/dbraw/zinc/19/51/06/641195106.db2.gz KKFIGAOBLHORLY-SECBINFHSA-N 2 0 240.269 0.984 20 0 BCADRP CC[NH+](CC)CCNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000913831575 641492835 /nfs/dbraw/zinc/49/28/35/641492835.db2.gz QWULDWVLCMJNBJ-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[NH2+]CC1CC1 ZINC000155497677 641572587 /nfs/dbraw/zinc/57/25/87/641572587.db2.gz GRQRMKTWHWBDKN-NSHDSACASA-N 2 0 227.352 0.476 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925414520 641728966 /nfs/dbraw/zinc/72/89/66/641728966.db2.gz NOSKRHWTJGDPTJ-NSHDSACASA-N 2 0 242.367 0.284 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000915153322 641805555 /nfs/dbraw/zinc/80/55/55/641805555.db2.gz NMUSAOKXYWPHKY-MNOVXSKESA-N 2 0 242.367 0.330 20 0 BCADRP CN1C[C@H](CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000723548248 711516278 /nfs/dbraw/zinc/51/62/78/711516278.db2.gz SJAKMQCNUHHOIU-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H](C)C[NH2+]C ZINC000154471176 642101966 /nfs/dbraw/zinc/10/19/66/642101966.db2.gz HJFMHAUIEXSHFL-SECBINFHSA-N 2 0 215.341 0.476 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)CO)[C@H](C)C1 ZINC000930000851 642140195 /nfs/dbraw/zinc/14/01/95/642140195.db2.gz SCIZLDVEADZFJO-GRYCIOLGSA-N 2 0 230.352 0.002 20 0 BCADRP CN(CC[NH3+])C[C@@H](O)CC(F)(F)F ZINC000307931430 642347371 /nfs/dbraw/zinc/34/73/71/642347371.db2.gz CBSQHWKXFVJKSM-LURJTMIESA-N 2 0 200.204 0.190 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@H]1CC[NH+]1C ZINC000924022923 642371660 /nfs/dbraw/zinc/37/16/60/642371660.db2.gz UXLRZHLRTTXTDJ-MNOVXSKESA-N 2 0 240.351 0.084 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000891403537 642484953 /nfs/dbraw/zinc/48/49/53/642484953.db2.gz SFVKWVMZGDKEIH-OUAUKWLOSA-N 2 0 240.351 0.212 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663012109 642499897 /nfs/dbraw/zinc/49/98/97/642499897.db2.gz UDEGMVHKAFVLOW-NSHDSACASA-N 2 0 213.325 0.195 20 0 BCADRP C[NH+](C)CCCCNC(=S)NCC[NH+](C)C ZINC000921271403 642591983 /nfs/dbraw/zinc/59/19/83/642591983.db2.gz WGWGUABNBXDLQA-UHFFFAOYSA-N 2 0 246.424 0.354 20 0 BCADRP COCCOCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253230127 642632947 /nfs/dbraw/zinc/63/29/47/642632947.db2.gz LUYVQBQPOCSJOK-VXGBXAGGSA-N 2 0 230.352 0.566 20 0 BCADRP CCO[C@H]1C[C@H]([NH2+]CC2C[NH2+]C2)C1(C)C ZINC000233765272 642692191 /nfs/dbraw/zinc/69/21/91/642692191.db2.gz FVODGPPAXXBNJI-QWRGUYRKSA-N 2 0 212.337 0.999 20 0 BCADRP CCO[C@@H]1C[C@@H]([NH2+]CC2C[NH2+]C2)C1(C)C ZINC000233783502 642693936 /nfs/dbraw/zinc/69/39/36/642693936.db2.gz FVODGPPAXXBNJI-GHMZBOCLSA-N 2 0 212.337 0.999 20 0 BCADRP [NH3+]CCCCCCC(=O)N[C@H]1CCC[NH2+]C1 ZINC000237997884 642771975 /nfs/dbraw/zinc/77/19/75/642771975.db2.gz QYFUXGLUILAATN-NSHDSACASA-N 2 0 227.352 0.764 20 0 BCADRP CC(C)CNC(=[NH2+])NC[C@H]1C[N@H+](C)CCN1C ZINC000068808953 642802078 /nfs/dbraw/zinc/80/20/78/642802078.db2.gz XLRKMFULWHGXLB-NSHDSACASA-N 2 0 241.383 0.002 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000967923938 642805111 /nfs/dbraw/zinc/80/51/11/642805111.db2.gz CJVBALHJRRXTKT-MNOVXSKESA-N 2 0 225.336 0.291 20 0 BCADRP CC[NH2+]CC1CC[NH+](C[C@H](O)COC)CC1 ZINC000068892390 642807297 /nfs/dbraw/zinc/80/72/97/642807297.db2.gz WLVMEGJOGGJEFN-LBPRGKRZSA-N 2 0 230.352 0.315 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000068890890 642807352 /nfs/dbraw/zinc/80/73/52/642807352.db2.gz ITYHMKRSPRLNGQ-DCAQKATOSA-N 2 0 216.325 0.053 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000968728454 642817318 /nfs/dbraw/zinc/81/73/18/642817318.db2.gz PRIOBRCFYPLGBE-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP COC[C@@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000069054641 642820973 /nfs/dbraw/zinc/82/09/73/642820973.db2.gz VUJDHCPYSQHRNC-QWHCGFSZSA-N 2 0 242.363 0.458 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]C(C)C)C1)[NH+](C)C ZINC000969077402 642822503 /nfs/dbraw/zinc/82/25/03/642822503.db2.gz QHENUCFPZYDOFO-VXGBXAGGSA-N 2 0 241.379 0.926 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010384180 642861697 /nfs/dbraw/zinc/86/16/97/642861697.db2.gz KPNNNSZZMBUWAM-VXGBXAGGSA-N 2 0 239.363 0.680 20 0 BCADRP COC[C@H](O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000069730050 642898009 /nfs/dbraw/zinc/89/80/09/642898009.db2.gz AOUHDGMMGGPGAL-LLVKDONJSA-N 2 0 216.325 0.055 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016248941 642955637 /nfs/dbraw/zinc/95/56/37/642955637.db2.gz FGTVBWVSINUSQO-RYUDHWBXSA-N 2 0 239.363 0.537 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001019655547 643039554 /nfs/dbraw/zinc/03/95/54/643039554.db2.gz UGUJUXRWJBIXGH-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001020172248 643060333 /nfs/dbraw/zinc/06/03/33/643060333.db2.gz SPAVCXVJVZTJBZ-DDHJBXDOSA-N 2 0 239.363 0.583 20 0 BCADRP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001020302826 643065937 /nfs/dbraw/zinc/06/59/37/643065937.db2.gz UJNMXMARYCDPEM-SRVKXCTJSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH+]1CCC(C[NH2+]C[C@H](O)C2CC2)CC1 ZINC000070882558 643075821 /nfs/dbraw/zinc/07/58/21/643075821.db2.gz HBBYMWVCSWAIOX-LBPRGKRZSA-N 2 0 212.337 0.689 20 0 BCADRP CC[N@H+](CCNC(=[NH2+])NCCOC)C(C)C ZINC000066246538 643165659 /nfs/dbraw/zinc/16/56/59/643165659.db2.gz FMRNJYJBDJTZLK-UHFFFAOYSA-N 2 0 230.356 0.267 20 0 BCADRP CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000969409525 643168425 /nfs/dbraw/zinc/16/84/25/643168425.db2.gz CKHKDTULTUFSEW-PWSUYJOCSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CCC2)CC[N@@H+]1C ZINC000925339206 643217700 /nfs/dbraw/zinc/21/77/00/643217700.db2.gz WWVFFOVDUCFBFV-GHMZBOCLSA-N 2 0 240.351 0.084 20 0 BCADRP CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001020587536 643220661 /nfs/dbraw/zinc/22/06/61/643220661.db2.gz JVFRSYAZZKASMK-IJLUTSLNSA-N 2 0 239.363 0.727 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000969845221 643230810 /nfs/dbraw/zinc/23/08/10/643230810.db2.gz WMMPXVGSEMJLPO-VXGBXAGGSA-N 2 0 241.379 0.783 20 0 BCADRP CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186877 643282702 /nfs/dbraw/zinc/28/27/02/643282702.db2.gz YMIXOAGEFFGJNG-NSHDSACASA-N 2 0 225.336 0.006 20 0 BCADRP CC[NH2+]CC1CC[NH+](C[C@H](C)O)CC1 ZINC000082462788 643319207 /nfs/dbraw/zinc/31/92/07/643319207.db2.gz VICSEOJHHADDJF-JTQLQIEISA-N 2 0 200.326 0.689 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000082679993 643365147 /nfs/dbraw/zinc/36/51/47/643365147.db2.gz OLSKMGRLEASOHR-VXNVDRBHSA-N 2 0 240.269 0.969 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000843497179 643366832 /nfs/dbraw/zinc/36/68/32/643366832.db2.gz FUIXUUOCZGIPQY-NXEZZACHSA-N 2 0 213.325 0.039 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)[NH+](C)C ZINC000070254648 643386067 /nfs/dbraw/zinc/38/60/67/643386067.db2.gz QRJBOHHCFYKPKN-MNOVXSKESA-N 2 0 239.363 0.442 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000884265349 643457647 /nfs/dbraw/zinc/45/76/47/643457647.db2.gz GEBGLXJGJGTNOF-QWRGUYRKSA-N 2 0 239.363 0.490 20 0 BCADRP COC[C@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000081069370 643493748 /nfs/dbraw/zinc/49/37/48/643493748.db2.gz KVLQKPWRZZSGCM-WOPDTQHZSA-N 2 0 212.337 0.810 20 0 BCADRP CC[NH2+]CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000082462785 643509336 /nfs/dbraw/zinc/50/93/36/643509336.db2.gz VICSEOJHHADDJF-SNVBAGLBSA-N 2 0 200.326 0.689 20 0 BCADRP CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970879491 643585490 /nfs/dbraw/zinc/58/54/90/643585490.db2.gz ZCSJNWRVVROHTB-QWRGUYRKSA-N 2 0 239.363 0.395 20 0 BCADRP C[NH+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052422749 643646213 /nfs/dbraw/zinc/64/62/13/643646213.db2.gz YYPOWCPBVFVOKG-UHFFFAOYSA-N 2 0 225.340 0.728 20 0 BCADRP CC[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084222821 643650179 /nfs/dbraw/zinc/65/01/79/643650179.db2.gz KOFRGVZLRBKJRO-VWYCJHECSA-N 2 0 200.326 0.864 20 0 BCADRP COC[C@@H](O)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216964 643651855 /nfs/dbraw/zinc/65/18/55/643651855.db2.gz QFZUZICXBBJBDO-VWYCJHECSA-N 2 0 216.325 0.101 20 0 BCADRP CC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001000228383 643760336 /nfs/dbraw/zinc/76/03/36/643760336.db2.gz SJGZFNNJDABBBA-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP COC[C@@H](O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000085869974 643824719 /nfs/dbraw/zinc/82/47/19/643824719.db2.gz QZGIRKQYTCKWCC-ILDUYXDCSA-N 2 0 216.325 0.195 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000922479690 644002725 /nfs/dbraw/zinc/00/27/25/644002725.db2.gz YKONWWUEUXVCJL-HBNTYKKESA-N 2 0 242.367 0.328 20 0 BCADRP CCO[C@H](CNC1CC[NH+](C)CC1)C[NH+](C)C ZINC000922762596 644088978 /nfs/dbraw/zinc/08/89/78/644088978.db2.gz XNBKDLSXPZSPPJ-CYBMUJFWSA-N 2 0 243.395 0.637 20 0 BCADRP C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086404508 644130472 /nfs/dbraw/zinc/13/04/72/644130472.db2.gz AHZURZAQXJYQDI-UTLUCORTSA-N 2 0 234.365 0.279 20 0 BCADRP CC[N@@H+](CC(=O)OC)CC1CC[NH2+]CC1 ZINC000086703133 644165654 /nfs/dbraw/zinc/16/56/54/644165654.db2.gz NWBZEVQMWGKCFV-UHFFFAOYSA-N 2 0 214.309 0.481 20 0 BCADRP C[NH+](C)C1(CNC(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000922981529 644213643 /nfs/dbraw/zinc/21/36/43/644213643.db2.gz SBVRXZSFQORHSW-SNVBAGLBSA-N 2 0 240.351 0.084 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CC[C@@H](C)[NH3+] ZINC000193170993 644220226 /nfs/dbraw/zinc/22/02/26/644220226.db2.gz BZNPQUWRWUPTED-MNOVXSKESA-N 2 0 229.368 0.946 20 0 BCADRP NC(=O)C12CCC(CC1)[N@@H+]2CC1CC[NH2+]CC1 ZINC000923272804 644307811 /nfs/dbraw/zinc/30/78/11/644307811.db2.gz QEOSBGRUFKWMMU-UHFFFAOYSA-N 2 0 237.347 0.468 20 0 BCADRP CCOCC[C@H](O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000923283422 644309842 /nfs/dbraw/zinc/30/98/42/644309842.db2.gz BQXRGCGCWRRGGZ-YPMHNXCESA-N 2 0 244.379 0.833 20 0 BCADRP [NH3+]C[C@@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000923280981 644313977 /nfs/dbraw/zinc/31/39/77/644313977.db2.gz MRSRCHYWLLBBEP-NSHDSACASA-N 2 0 211.353 0.799 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000923290191 644323145 /nfs/dbraw/zinc/32/31/45/644323145.db2.gz VLQBYJXREZPXOM-AGIUHOORSA-N 2 0 244.379 0.833 20 0 BCADRP CCOCC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000923291919 644327935 /nfs/dbraw/zinc/32/79/35/644327935.db2.gz UKNRWNCXSCQKRN-NWDGAFQWSA-N 2 0 230.352 0.315 20 0 BCADRP CC[NH2+]CC1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923294173 644329132 /nfs/dbraw/zinc/32/91/32/644329132.db2.gz DUUAZMYPJKMUPP-AVGNSLFASA-N 3 0 241.379 0.159 20 0 BCADRP CCOCC[C@H](O)CN1CCC[C@@H]1C[NH3+] ZINC000923293154 644329933 /nfs/dbraw/zinc/32/99/33/644329933.db2.gz OIDILROVKDLTEF-MNOVXSKESA-N 2 0 216.325 0.197 20 0 BCADRP C[NH2+]C[C@H]1CCCN1CCC[NH2+]C1CC1 ZINC000923295430 644333539 /nfs/dbraw/zinc/33/35/39/644333539.db2.gz WMXUGRNWIRXOFH-GFCCVEGCSA-N 2 0 211.353 0.812 20 0 BCADRP CO[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923307171 644338224 /nfs/dbraw/zinc/33/82/24/644338224.db2.gz XYWZTOAPBSPSQX-NEPJUHHUSA-N 2 0 240.347 0.476 20 0 BCADRP CC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923304198 644341787 /nfs/dbraw/zinc/34/17/87/644341787.db2.gz OYEHITZWCPGLPY-LLVKDONJSA-N 2 0 210.321 0.849 20 0 BCADRP C[C@@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923312371 644342262 /nfs/dbraw/zinc/34/22/62/644342262.db2.gz HNTRFGVFTRKGMI-GHMZBOCLSA-N 2 0 210.321 0.849 20 0 BCADRP CC1(C)C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCS1 ZINC000923315830 644342614 /nfs/dbraw/zinc/34/26/14/644342614.db2.gz LATIMHAZBSBRPZ-GUBZILKMSA-N 2 0 230.377 0.664 20 0 BCADRP CC[C@@]1(C)CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316510 644343132 /nfs/dbraw/zinc/34/31/32/644343132.db2.gz KJVFAIDTNAJVSO-BJDJZHNGSA-N 2 0 212.337 0.959 20 0 BCADRP CC[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCS1 ZINC000923315504 644343184 /nfs/dbraw/zinc/34/31/84/644343184.db2.gz IPQCPAFMGZUZTB-NAKRPEOUSA-N 2 0 230.377 0.664 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCc3ccccc3CC2)C1 ZINC000923315615 644343948 /nfs/dbraw/zinc/34/39/48/644343948.db2.gz KNVFFVPZQHGJDV-KKUMJFAQSA-N 2 0 246.354 0.938 20 0 BCADRP CC[NH+]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923317516 644344375 /nfs/dbraw/zinc/34/43/75/644344375.db2.gz DKUXCCCWCHZRMQ-LBPRGKRZSA-N 2 0 239.363 0.002 20 0 BCADRP CC[C@]1(C)CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316512 644344854 /nfs/dbraw/zinc/34/48/54/644344854.db2.gz KJVFAIDTNAJVSO-FIQHERPVSA-N 2 0 212.337 0.959 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCS1 ZINC000923311042 644345894 /nfs/dbraw/zinc/34/58/94/644345894.db2.gz FRQSALPOVZNAKL-MNOVXSKESA-N 2 0 242.388 0.802 20 0 BCADRP C[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923308581 644347592 /nfs/dbraw/zinc/34/75/92/644347592.db2.gz FJKHYLNBTIRHGY-BJDJZHNGSA-N 2 0 212.337 0.959 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923330354 644348973 /nfs/dbraw/zinc/34/89/73/644348973.db2.gz CSKWZPSFUATFIK-QJPTWQEYSA-N 3 0 239.363 0.034 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2CN(CCC[NH2+]C3CC3)C[C@@H]12 ZINC000923330522 644349165 /nfs/dbraw/zinc/34/91/65/644349165.db2.gz AFZSRVACIOFGFJ-RAIGVLPGSA-N 2 0 223.364 0.798 20 0 BCADRP CCOCC[C@H](O)C[NH2+]CC1([NH3+])CCC1 ZINC000923330505 644350628 /nfs/dbraw/zinc/35/06/28/644350628.db2.gz GTMSXDJQPUDDBT-JTQLQIEISA-N 2 0 216.325 0.245 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923325403 644351930 /nfs/dbraw/zinc/35/19/30/644351930.db2.gz DGKBJRDKNPNCDG-VOAKCMCISA-N 3 0 241.379 0.111 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923325402 644352716 /nfs/dbraw/zinc/35/27/16/644352716.db2.gz DGKBJRDKNPNCDG-CYDGBPFRSA-N 3 0 241.379 0.111 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000923332463 644354027 /nfs/dbraw/zinc/35/40/27/644354027.db2.gz QFRZHEICDZIKAY-MNOVXSKESA-N 2 0 211.353 0.798 20 0 BCADRP [NH3+]C1(C[NH2+]C[C@H](O)CC(F)(F)F)CCC1 ZINC000923334555 644354071 /nfs/dbraw/zinc/35/40/71/644354071.db2.gz WDXWDLCSIHKMHC-SSDOTTSWSA-N 2 0 226.242 0.771 20 0 BCADRP CC[N@H+](C[C@H](O)COC)[C@@H]1CCC[NH2+]CC1 ZINC000923336547 644357253 /nfs/dbraw/zinc/35/72/53/644357253.db2.gz UPAGZVHYKBUJSU-NEPJUHHUSA-N 2 0 230.352 0.458 20 0 BCADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923357528 644364708 /nfs/dbraw/zinc/36/47/08/644364708.db2.gz XTAWLOZGFCJMBK-NEPJUHHUSA-N 3 0 239.363 0.036 20 0 BCADRP [NH3+]CC(C[NH3+])NCCSC(F)(F)F ZINC000923357391 644364951 /nfs/dbraw/zinc/36/49/51/644364951.db2.gz YSZMGILEKOPGQZ-UHFFFAOYSA-N 2 0 217.260 0.115 20 0 BCADRP [NH3+]C[C@@H]1C[C@H](F)CN1CCC[NH2+]C1CC1 ZINC000923345190 644365685 /nfs/dbraw/zinc/36/56/85/644365685.db2.gz WFMIRPRRAOWLRW-ONGXEEELSA-N 2 0 215.316 0.500 20 0 BCADRP [NH3+]CC(C[NH3+])NCCSc1ccc(F)cc1 ZINC000923358568 644366440 /nfs/dbraw/zinc/36/64/40/644366440.db2.gz CZQIBBSQAVAARA-UHFFFAOYSA-N 2 0 243.351 0.793 20 0 BCADRP CN(CCC[NH2+]C1CC1)[C@H](C[NH3+])C1CC1 ZINC000923358073 644366831 /nfs/dbraw/zinc/36/68/31/644366831.db2.gz WXOQBVRBNWYMMM-GFCCVEGCSA-N 2 0 211.353 0.798 20 0 BCADRP [NH3+]CC(C[NH3+])NCCOC1CCCCCC1 ZINC000923351333 644366992 /nfs/dbraw/zinc/36/69/92/644366992.db2.gz IMSBHVCVXIHDAI-UHFFFAOYSA-N 2 0 229.368 0.601 20 0 BCADRP [NH3+]CC(C[NH3+])N[C@H]1CCc2ccc(F)cc21 ZINC000923351349 644367451 /nfs/dbraw/zinc/36/74/51/644367451.db2.gz JHBYIBZWHXBGFI-LBPRGKRZSA-N 2 0 223.295 0.689 20 0 BCADRP OCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358140 644367919 /nfs/dbraw/zinc/36/79/19/644367919.db2.gz DJYIEIJVMHGTFV-NWDGAFQWSA-N 2 0 212.337 0.690 20 0 BCADRP Cc1cc(C)c(CNC(C[NH3+])C[NH3+])c(C)n1 ZINC000923356339 644371258 /nfs/dbraw/zinc/37/12/58/644371258.db2.gz LEDYUYXXBBIAHN-UHFFFAOYSA-N 2 0 222.336 0.382 20 0 BCADRP CC(C)OCC[C@@H](O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923355188 644371302 /nfs/dbraw/zinc/37/13/02/644371302.db2.gz HIMZHQYEFZQPEP-CHWSQXEVSA-N 2 0 244.379 0.833 20 0 BCADRP Cc1cccc2nc(CNC(C[NH3+])C[NH3+])cn21 ZINC000923354969 644373227 /nfs/dbraw/zinc/37/32/27/644373227.db2.gz ZUNJZPIBLAELCL-UHFFFAOYSA-N 2 0 233.319 0.018 20 0 BCADRP CN(C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H](C[NH3+])C1CC1 ZINC000923356273 644374117 /nfs/dbraw/zinc/37/41/17/644374117.db2.gz GPUXJJQUNMXSDF-NEPJUHHUSA-N 2 0 239.363 0.034 20 0 BCADRP C[C@H](O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000923363671 644374652 /nfs/dbraw/zinc/37/46/52/644374652.db2.gz XOPFMEARTBWRBQ-WCQGTBRESA-N 2 0 228.336 0.195 20 0 BCADRP COC(=O)[C@@H](C)C[N@H+](C)CCC[NH2+]C1CC1 ZINC000923369671 644381872 /nfs/dbraw/zinc/38/18/72/644381872.db2.gz NOBYRWWANJFLNI-JTQLQIEISA-N 2 0 228.336 0.869 20 0 BCADRP CO[C@@H](CNC(C[NH3+])C[NH3+])C1CCCCC1 ZINC000923360248 644384010 /nfs/dbraw/zinc/38/40/10/644384010.db2.gz YYPFGWFVOFLHTF-LBPRGKRZSA-N 2 0 229.368 0.457 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923359550 644384057 /nfs/dbraw/zinc/38/40/57/644384057.db2.gz RPHPZVUSJACNKG-AGIUHOORSA-N 2 0 242.363 0.458 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000923362606 644385452 /nfs/dbraw/zinc/38/54/52/644385452.db2.gz PGRPNCQLTGEQDZ-XQQFMLRXSA-N 2 0 242.363 0.315 20 0 BCADRP C[C@@H]1CN(CCC[NH2+]C2CC2)[C@@H](C)C[NH2+]1 ZINC000923360917 644385562 /nfs/dbraw/zinc/38/55/62/644385562.db2.gz FXUXNGYBMVDRRX-MNOVXSKESA-N 2 0 211.353 0.811 20 0 BCADRP CCOCCOCC[N@H+](C)C1CC([NH3+])C1 ZINC000923362688 644386487 /nfs/dbraw/zinc/38/64/87/644386487.db2.gz NARNQYXOGBKENQ-UHFFFAOYSA-N 2 0 216.325 0.461 20 0 BCADRP C(C[NH2+]C1CC1)CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000923361805 644386715 /nfs/dbraw/zinc/38/67/15/644386715.db2.gz SCAHJVMAIRVEIM-WCQYABFASA-N 2 0 223.364 0.812 20 0 BCADRP C[C@@H]1OCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@H]1C ZINC000923373785 644389361 /nfs/dbraw/zinc/38/93/61/644389361.db2.gz RNJHVUPZGGXVFZ-SDDRHHMPSA-N 2 0 240.347 0.474 20 0 BCADRP C[C@@H]1CCCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923372900 644389671 /nfs/dbraw/zinc/38/96/71/644389671.db2.gz KJPNNPJLGGCBMM-RHYQMDGZSA-N 2 0 212.337 0.959 20 0 BCADRP CN(CC[NH3+])CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923377921 644391616 /nfs/dbraw/zinc/39/16/16/644391616.db2.gz FAEIYUGIHVJKCZ-YOGCLGLASA-N 2 0 211.353 0.798 20 0 BCADRP COC[C@@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000923381490 644393871 /nfs/dbraw/zinc/39/38/71/644393871.db2.gz DOXPAEPRWMTMOQ-BJDJZHNGSA-N 2 0 230.352 0.299 20 0 BCADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923385309 644394591 /nfs/dbraw/zinc/39/45/91/644394591.db2.gz ZXDYGVSBYTYWHV-IJLUTSLNSA-N 2 0 240.347 0.210 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@]3(CC3(F)F)C2)C1 ZINC000923390014 644395523 /nfs/dbraw/zinc/39/55/23/644395523.db2.gz AUEDZRZNWZGZFB-XKNYDFJKSA-N 2 0 232.274 0.568 20 0 BCADRP C(C[NH2+]C1CC1)CN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000923384785 644396293 /nfs/dbraw/zinc/39/62/93/644396293.db2.gz NBAGBPZDBAYFTA-STQMWFEESA-N 2 0 239.363 0.191 20 0 BCADRP C[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000923388674 644402035 /nfs/dbraw/zinc/40/20/35/644402035.db2.gz QPRRVRICXPUUFX-RVMXOQNASA-N 2 0 242.363 0.586 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000923393861 644402299 /nfs/dbraw/zinc/40/22/99/644402299.db2.gz ZMSPXTNQZKBTRV-UTUOFQBUSA-N 2 0 238.335 0.056 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1CCC[NH2+]C1CC1 ZINC000923393460 644402594 /nfs/dbraw/zinc/40/25/94/644402594.db2.gz QWLUHSJGCOTODA-WDEREUQCSA-N 2 0 211.353 0.940 20 0 BCADRP CSC[C@H](O)CN1CCCCC[C@H]([NH3+])C1 ZINC000923410405 644411433 /nfs/dbraw/zinc/41/14/33/644411433.db2.gz GTWPJBFWAHDXBD-WDEREUQCSA-N 2 0 232.393 0.914 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000923392661 644408895 /nfs/dbraw/zinc/40/88/95/644408895.db2.gz KQEJUPRYHFFPDT-WOPDTQHZSA-N 2 0 230.352 0.586 20 0 BCADRP C(C[NH2+]C1CC1)CN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000923416434 644409310 /nfs/dbraw/zinc/40/93/10/644409310.db2.gz NNFGEGAJQXWSAG-OLZOCXBDSA-N 2 0 223.364 0.955 20 0 BCADRP C(C[NH2+]C1CC1)CN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000923416581 644409379 /nfs/dbraw/zinc/40/93/79/644409379.db2.gz NNFGEGAJQXWSAG-STQMWFEESA-N 2 0 223.364 0.955 20 0 BCADRP C[C@@H]([NH3+])CN(C)C[C@@H](O)Cc1ccccc1 ZINC000923410184 644410485 /nfs/dbraw/zinc/41/04/85/644410485.db2.gz KXYAWBDBCHZKOG-YPMHNXCESA-N 2 0 222.332 0.869 20 0 BCADRP C[C@H](O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000923411971 644414453 /nfs/dbraw/zinc/41/44/53/644414453.db2.gz VEHXCHLFIIZYMO-AAEUAGOBSA-N 2 0 242.363 0.458 20 0 BCADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCO)C1 ZINC000923412752 644414834 /nfs/dbraw/zinc/41/48/34/644414834.db2.gz AQIFUWSDDNQICA-LLVKDONJSA-N 2 0 200.326 0.676 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000923414038 644416638 /nfs/dbraw/zinc/41/66/38/644416638.db2.gz YYTWHWKJODGYAI-SRVKXCTJSA-N 2 0 230.352 0.301 20 0 BCADRP C[NH+](C)[C@@H]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923421897 644417567 /nfs/dbraw/zinc/41/75/67/644417567.db2.gz PDBZMHXKVUFPGQ-NEPJUHHUSA-N 2 0 239.363 0.001 20 0 BCADRP C(C[NH2+]C1CC1)CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923412986 644417651 /nfs/dbraw/zinc/41/76/51/644417651.db2.gz MTLOEOCMYNFGMG-TXEJJXNPSA-N 2 0 209.337 0.565 20 0 BCADRP CCOCCOCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000923423747 644418848 /nfs/dbraw/zinc/41/88/48/644418848.db2.gz YTZFUGTYIWAYMQ-QWRGUYRKSA-N 2 0 230.352 0.755 20 0 BCADRP C[NH2+]C[C@@H]1CCCCN1C[C@@H](O)CSC ZINC000923429822 644422333 /nfs/dbraw/zinc/42/23/33/644422333.db2.gz FLPGAILYMWFYHA-WDEREUQCSA-N 2 0 232.393 0.784 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923429187 644422614 /nfs/dbraw/zinc/42/26/14/644422614.db2.gz RFKOUMCPDUTNKY-UPJWGTAASA-N 2 0 244.379 0.691 20 0 BCADRP CC(C)OCC[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923419804 644423707 /nfs/dbraw/zinc/42/37/07/644423707.db2.gz CXTLLOZEBCCJRV-QJPTWQEYSA-N 2 0 244.379 0.878 20 0 BCADRP C[N@H+](CCNC(=O)C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000084383347 644423828 /nfs/dbraw/zinc/42/38/28/644423828.db2.gz GWHLMZISMNTVCC-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C[C@H]1C[NH2+]CCO1 ZINC000923436867 644427960 /nfs/dbraw/zinc/42/79/60/644427960.db2.gz SVTPRHPIFIVMRK-FIQHERPVSA-N 2 0 227.352 0.046 20 0 BCADRP [NH3+]CCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923453026 644441306 /nfs/dbraw/zinc/44/13/06/644441306.db2.gz YGSGETQQEJYQBE-LLVKDONJSA-N 3 0 227.352 0.165 20 0 BCADRP C[C@H](CNC(=O)C[C@H]1CSCC[NH2+]1)[NH+](C)C ZINC000085613607 644443993 /nfs/dbraw/zinc/44/39/93/644443993.db2.gz ZINLZFWAFJWKKS-ZJUUUORDSA-N 2 0 245.392 0.148 20 0 BCADRP CC(C)CCOCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923460558 644445791 /nfs/dbraw/zinc/44/57/91/644445791.db2.gz FXSVLLKKGUKSAD-UHFFFAOYSA-N 2 0 243.395 0.544 20 0 BCADRP CC[NH+](CC)CCCN(C)C[C@@H](C)[NH3+] ZINC000074211280 644450361 /nfs/dbraw/zinc/45/03/61/644450361.db2.gz QJOAKDVHBJMXMH-LLVKDONJSA-N 2 0 201.358 0.997 20 0 BCADRP Cn1c(CN2CC[C@@H](CC[NH3+])C2)nnc1C1CC1 ZINC000923482003 644459534 /nfs/dbraw/zinc/45/95/34/644459534.db2.gz BPLQMMCNIQIFQI-SNVBAGLBSA-N 2 0 249.362 0.863 20 0 BCADRP C[C@H]1CN(CC[N@@H+]2CC[C@H](CC[NH3+])C2)CCO1 ZINC000923482388 644459876 /nfs/dbraw/zinc/45/98/76/644459876.db2.gz ZJCCWTSYYFRCMN-STQMWFEESA-N 2 0 241.379 0.378 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495460 644461339 /nfs/dbraw/zinc/46/13/39/644461339.db2.gz WCPBJSOSVLKUSP-NWDGAFQWSA-N 2 0 241.379 0.772 20 0 BCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CC[C@@H]1C[NH3+] ZINC000923495334 644462293 /nfs/dbraw/zinc/46/22/93/644462293.db2.gz BPNQYPSAASZUQE-GMTAPVOTSA-N 2 0 225.336 0.134 20 0 BCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)CC[C@@H]1C[NH3+] ZINC000923495132 644462477 /nfs/dbraw/zinc/46/24/77/644462477.db2.gz UECQSOLWSXOWDZ-IJLUTSLNSA-N 2 0 239.363 0.524 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495461 644462617 /nfs/dbraw/zinc/46/26/17/644462617.db2.gz WCPBJSOSVLKUSP-RYUDHWBXSA-N 2 0 241.379 0.772 20 0 BCADRP COC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495289 644462799 /nfs/dbraw/zinc/46/27/99/644462799.db2.gz BFZLKIKKTNGQSQ-GUBZILKMSA-N 2 0 214.309 0.465 20 0 BCADRP C[C@@H]1C[N@H+](CCc2ccnn2C)CC[C@H]1C[NH3+] ZINC000923489427 644465399 /nfs/dbraw/zinc/46/53/99/644465399.db2.gz JXFSYXWQSJSPKQ-NEPJUHHUSA-N 2 0 236.363 0.879 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)CC[C@@H]1C[NH3+] ZINC000923491512 644467129 /nfs/dbraw/zinc/46/71/29/644467129.db2.gz SNVDKYVNHNARGU-IJLUTSLNSA-N 2 0 249.362 0.682 20 0 BCADRP COC(=O)CC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923493152 644467162 /nfs/dbraw/zinc/46/71/62/644467162.db2.gz DWFFJVLMIJHDLW-NXEZZACHSA-N 2 0 214.309 0.466 20 0 BCADRP C[C@H]1C[N@H+](CC2(O)CCOCC2)CC[C@H]1C[NH3+] ZINC000923492936 644467447 /nfs/dbraw/zinc/46/74/47/644467447.db2.gz ZPIRAUAZPMKXPK-RYUDHWBXSA-N 2 0 242.363 0.445 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cnns2)CC[C@H]1C[NH3+] ZINC000923492808 644468839 /nfs/dbraw/zinc/46/88/39/644468839.db2.gz OZQNMTFRJTUYRI-BDAKNGLRSA-N 2 0 226.349 0.955 20 0 BCADRP C[C@H]1C[N@H+](Cc2cncn2C)CC[C@H]1C[NH3+] ZINC000923497314 644469283 /nfs/dbraw/zinc/46/92/83/644469283.db2.gz DOIDRTBAAJAOLV-QWRGUYRKSA-N 2 0 222.336 0.837 20 0 BCADRP CC(C)OC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923493991 644470691 /nfs/dbraw/zinc/47/06/91/644470691.db2.gz VFKDKZKPUMWSEP-JHJVBQTASA-N 2 0 244.379 0.689 20 0 BCADRP C[C@H]1C[N@H+](Cc2cnn(C)c2)CC[C@@H]1C[NH3+] ZINC000923498974 644472363 /nfs/dbraw/zinc/47/23/63/644472363.db2.gz JMKGHRBRNUOVJR-CMPLNLGQSA-N 2 0 222.336 0.837 20 0 BCADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516175 644480674 /nfs/dbraw/zinc/48/06/74/644480674.db2.gz TYHQEUQURYBASP-QNWHQSFQSA-N 2 0 224.348 0.953 20 0 BCADRP C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CC[NH2+]CC1 ZINC000923516713 644480884 /nfs/dbraw/zinc/48/08/84/644480884.db2.gz PCXZZMIOYKRKGV-UONOGXRCSA-N 3 0 237.391 0.917 20 0 BCADRP C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000923518327 644482323 /nfs/dbraw/zinc/48/23/23/644482323.db2.gz CZAMCXPHFWAQPX-FRRDWIJNSA-N 3 0 223.364 0.527 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518945 644483637 /nfs/dbraw/zinc/48/36/37/644483637.db2.gz HADHCODOMWVFJT-NWDGAFQWSA-N 2 0 239.363 0.396 20 0 BCADRP OC[C@H]1CCCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000923530438 644487124 /nfs/dbraw/zinc/48/71/24/644487124.db2.gz IVIFYWTWXYETQZ-CYBMUJFWSA-N 2 0 241.379 0.129 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534796 644487570 /nfs/dbraw/zinc/48/75/70/644487570.db2.gz XSXXOVFCRSUFSL-STQMWFEESA-N 2 0 241.379 0.175 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCCCC[C@@H]1CO ZINC000923531852 644490315 /nfs/dbraw/zinc/49/03/15/644490315.db2.gz WPWJUISFWVJKSF-LLVKDONJSA-N 2 0 216.325 0.199 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](CCC[NH3+])[C@H](C)C1 ZINC000923550287 644498672 /nfs/dbraw/zinc/49/86/72/644498672.db2.gz AGOIGKABCKYHLB-NXEZZACHSA-N 2 0 214.309 0.609 20 0 BCADRP COC[C@@H]1COCC[N@@H+]1CCCCCC[NH3+] ZINC000923557688 644500267 /nfs/dbraw/zinc/50/02/67/644500267.db2.gz NGUILWRUJSSDHI-GFCCVEGCSA-N 2 0 230.352 0.853 20 0 BCADRP COC[C@@H]1COCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000923556315 644502120 /nfs/dbraw/zinc/50/21/20/644502120.db2.gz GGZJZXKZIAJCET-CYBMUJFWSA-N 2 0 242.363 0.723 20 0 BCADRP COC[C@@H]1COCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000923556448 644502309 /nfs/dbraw/zinc/50/23/09/644502309.db2.gz GZRVRVHDIUKIBS-VXGBXAGGSA-N 2 0 228.336 0.333 20 0 BCADRP CC(C)CNC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000091846856 644641955 /nfs/dbraw/zinc/64/19/55/644641955.db2.gz SISJASURCZTQOV-UHFFFAOYSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250241003 644749724 /nfs/dbraw/zinc/74/97/24/644749724.db2.gz LFCLZMVLVCROBQ-VWYCJHECSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000250897297 644785095 /nfs/dbraw/zinc/78/50/95/644785095.db2.gz AEMGIWIKYPJNER-UWVGGRQHSA-N 2 0 212.293 0.363 20 0 BCADRP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC000958415586 644795841 /nfs/dbraw/zinc/79/58/41/644795841.db2.gz XJIHBWWIHLXIFQ-WHOHXGKFSA-N 2 0 237.347 0.147 20 0 BCADRP CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000251255092 644799442 /nfs/dbraw/zinc/79/94/42/644799442.db2.gz KOFRGVZLRBKJRO-AXFHLTTASA-N 2 0 200.326 0.864 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]([NH3+])CC1CC1 ZINC000304319134 644889793 /nfs/dbraw/zinc/88/97/93/644889793.db2.gz FJUDOZLTSLURBV-GXSJLCMTSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)NCC[NH+]1CCCC1 ZINC000304398203 644899858 /nfs/dbraw/zinc/89/98/58/644899858.db2.gz VHBVAXOBQAEMAG-LLVKDONJSA-N 2 0 225.336 0.326 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000304411149 644904241 /nfs/dbraw/zinc/90/42/41/644904241.db2.gz YATZHDPTWWWOLS-MNOVXSKESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](CNC1=[NH+]CCN1C)[NH+]1CCCCC1 ZINC000304589922 644919078 /nfs/dbraw/zinc/91/90/78/644919078.db2.gz RVOXFQAEKMXETB-NSHDSACASA-N 2 0 224.352 0.752 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC000825047963 645060476 /nfs/dbraw/zinc/06/04/76/645060476.db2.gz IUSPJVIEXGLAAZ-NSHDSACASA-N 2 0 225.336 0.293 20 0 BCADRP CC1([NH3+])CCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000834589693 645149217 /nfs/dbraw/zinc/14/92/17/645149217.db2.gz RXPDIMVLXQVKAO-JTQLQIEISA-N 2 0 225.336 0.454 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C[C@H]([NH3+])C1CC1 ZINC000841857149 645229578 /nfs/dbraw/zinc/22/95/78/645229578.db2.gz RDXKLDOENXNGHJ-VHSXEESVSA-N 2 0 227.352 0.603 20 0 BCADRP CC1(C)CN(C(=O)C[C@H]([NH3+])C2CC2)CC[NH2+]1 ZINC000841858128 645230382 /nfs/dbraw/zinc/23/03/82/645230382.db2.gz ZKLABAKXNMHWEC-JTQLQIEISA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)CCCCC[NH3+] ZINC000843509102 645293196 /nfs/dbraw/zinc/29/31/96/645293196.db2.gz WJNPPJDKMMVQTJ-NXEZZACHSA-N 2 0 215.341 0.748 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CCCCC[NH3+] ZINC000843509105 645293497 /nfs/dbraw/zinc/29/34/97/645293497.db2.gz WJNPPJDKMMVQTJ-VHSXEESVSA-N 2 0 215.341 0.748 20 0 BCADRP [NH3+][C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC000843506560 645293793 /nfs/dbraw/zinc/29/37/93/645293793.db2.gz MXVDDVMTLUROKO-GMTAPVOTSA-N 2 0 225.336 0.500 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000926602229 645309786 /nfs/dbraw/zinc/30/97/86/645309786.db2.gz WRSSMZPJBLGCKA-LMCVEBPVSA-N 2 0 224.348 0.830 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)CCCCC[NH3+])C1 ZINC000844188473 645315506 /nfs/dbraw/zinc/31/55/06/645315506.db2.gz UJHMGKIEODYKLN-LBPRGKRZSA-N 2 0 241.379 0.964 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000844188991 645315839 /nfs/dbraw/zinc/31/58/39/645315839.db2.gz DOAFATKFGGXHIO-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP CC[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000844185030 645317513 /nfs/dbraw/zinc/31/75/13/645317513.db2.gz DJCBSQKFFDXYRB-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP COC(=O)[C@]1(F)CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000852753175 645488363 /nfs/dbraw/zinc/48/83/63/645488363.db2.gz AIKWNVBHFUNALY-JQWIXIFHSA-N 2 0 244.310 0.573 20 0 BCADRP COC(=O)[C@@]1(F)CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000852753174 645489043 /nfs/dbraw/zinc/48/90/43/645489043.db2.gz AIKWNVBHFUNALY-CMPLNLGQSA-N 2 0 244.310 0.573 20 0 BCADRP CC[NH+](CC)CCCN[C@@H]1C[NH2+]CCOC1 ZINC000925487795 645491808 /nfs/dbraw/zinc/49/18/08/645491808.db2.gz FTEYLYGYOHKGEN-GFCCVEGCSA-N 2 0 229.368 0.296 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000928429762 645733968 /nfs/dbraw/zinc/73/39/68/645733968.db2.gz RVTLXEODLYPVEC-UTLUCORTSA-N 2 0 213.325 0.145 20 0 BCADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000928425121 645742529 /nfs/dbraw/zinc/74/25/29/645742529.db2.gz HBSOCWRSQABMFL-VWYCJHECSA-N 2 0 227.352 0.535 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928453714 645775914 /nfs/dbraw/zinc/77/59/14/645775914.db2.gz YQPZSIXBPWANFY-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC000877050093 645788312 /nfs/dbraw/zinc/78/83/12/645788312.db2.gz FKJZUDQFTSUKOJ-BJDJZHNGSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)CC1(C[NH3+])CC1)C2 ZINC000877373445 645792137 /nfs/dbraw/zinc/79/21/37/645792137.db2.gz XQIPUTPWCBRKFH-CMPLNLGQSA-N 2 0 237.347 0.183 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877371740 645794121 /nfs/dbraw/zinc/79/41/21/645794121.db2.gz NOSVSIRWMJNIJP-JFGNBEQYSA-N 2 0 225.336 0.052 20 0 BCADRP CN1CC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC000928552785 645805701 /nfs/dbraw/zinc/80/57/01/645805701.db2.gz WMVXCZGGNMTIFU-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884269980 645872575 /nfs/dbraw/zinc/87/25/75/645872575.db2.gz DFVBHNCCPRAFHR-VWYCJHECSA-N 2 0 239.363 0.346 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884271578 645872994 /nfs/dbraw/zinc/87/29/94/645872994.db2.gz HDBWQMWTVUTTBL-GDPRMGEGSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)[C@H]1C ZINC000884271745 645873368 /nfs/dbraw/zinc/87/33/68/645873368.db2.gz JXOPJEQKLKFCGY-DCAQKATOSA-N 2 0 239.363 0.441 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000884300095 645873817 /nfs/dbraw/zinc/87/38/17/645873817.db2.gz OCIBWJKLPBHBHV-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000884369542 645874196 /nfs/dbraw/zinc/87/41/96/645874196.db2.gz HSZIIXFUXXZUDB-GMTAPVOTSA-N 2 0 225.336 0.500 20 0 BCADRP C[C@@H](O)[C@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000929282140 646056673 /nfs/dbraw/zinc/05/66/73/646056673.db2.gz HLGQEVLBBDOQIQ-ZYHUDNBSSA-N 2 0 230.352 0.002 20 0 BCADRP C[NH+](C)CCC[NH2+][C@H]1CCOC12CCOCC2 ZINC000924538374 646057701 /nfs/dbraw/zinc/05/77/01/646057701.db2.gz IVZMKXDSYRTHEO-LBPRGKRZSA-N 2 0 242.363 0.866 20 0 BCADRP C[C@H](CO)[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000924752901 646099373 /nfs/dbraw/zinc/09/93/73/646099373.db2.gz IEXAJZRIPZNLJM-IJLUTSLNSA-N 2 0 212.337 0.974 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000929637701 646216376 /nfs/dbraw/zinc/21/63/76/646216376.db2.gz MZLKBSNEGIFNSN-LLVKDONJSA-N 2 0 230.352 0.531 20 0 BCADRP CC[NH+](CC)C[C@H](C)N[C@@H]1C[NH2+]CCOC1 ZINC000925485395 646297055 /nfs/dbraw/zinc/29/70/55/646297055.db2.gz BWMFEYJIAREFNY-NWDGAFQWSA-N 2 0 229.368 0.295 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC000925512122 646310648 /nfs/dbraw/zinc/31/06/48/646310648.db2.gz ZRQQQASWJLPVOF-VHSXEESVSA-N 2 0 248.392 0.527 20 0 BCADRP C1CC1[NH+]1CCC(N[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925513525 646310869 /nfs/dbraw/zinc/31/08/69/646310869.db2.gz HMPBXSYHILOBRT-GFCCVEGCSA-N 2 0 239.363 0.191 20 0 BCADRP COCCC[N@H+](C)CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925520322 646313652 /nfs/dbraw/zinc/31/36/52/646313652.db2.gz XCLBGODCTKFEMN-GFCCVEGCSA-N 2 0 243.395 0.685 20 0 BCADRP C(N[C@H]1C[NH2+]CCOC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000925537861 646321288 /nfs/dbraw/zinc/32/12/88/646321288.db2.gz ONOGTNKYXNDYHU-RYUDHWBXSA-N 2 0 239.363 0.049 20 0 BCADRP C1C[N@@H+]2CCCC[C@@H]2[C@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925553553 646331662 /nfs/dbraw/zinc/33/16/62/646331662.db2.gz QQEUUUMSZQXQDS-RWMBFGLXSA-N 2 0 239.363 0.191 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925576762 646343582 /nfs/dbraw/zinc/34/35/82/646343582.db2.gz YPHXLKIFFHFHJB-QCMRWSPLSA-N 2 0 239.363 0.617 20 0 BCADRP COCC[N@H+](C)CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925578385 646343664 /nfs/dbraw/zinc/34/36/64/646343664.db2.gz VUNAKTVLCPGQOB-LLVKDONJSA-N 2 0 229.368 0.295 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCn2cncn2)C1 ZINC000925591025 646348492 /nfs/dbraw/zinc/34/84/92/646348492.db2.gz XOFFBMFYVWUVRV-QWRGUYRKSA-N 2 0 237.351 0.774 20 0 BCADRP COC[C@H](CCO)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925610932 646359899 /nfs/dbraw/zinc/35/98/99/646359899.db2.gz IYAGVFAUNLWZIE-SDDRHHMPSA-N 2 0 244.379 0.879 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCOCCO)C1 ZINC000925610807 646359968 /nfs/dbraw/zinc/35/99/68/646359968.db2.gz IPQSVBINZLQNAW-QWRGUYRKSA-N 2 0 230.352 0.491 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1N[C@@H]1C=C[C@H](CO)C1 ZINC000925613143 646362521 /nfs/dbraw/zinc/36/25/21/646362521.db2.gz AMAIEUCBDONOTA-KXNHARMFSA-N 2 0 210.321 0.654 20 0 BCADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925618787 646365548 /nfs/dbraw/zinc/36/55/48/646365548.db2.gz JSAAYNJZFVMPEB-FRRDWIJNSA-N 2 0 241.379 0.293 20 0 BCADRP CC1(C)C[C@@H]([NH2+]C[C@@]2(O)CCOC2)C[C@@H]([NH3+])C1 ZINC000925624779 646369409 /nfs/dbraw/zinc/36/94/09/646369409.db2.gz BYBQNTIHBMFZRV-MDZLAQPJSA-N 2 0 242.363 0.633 20 0 BCADRP CC(C)[C@@H](CO)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925622851 646370649 /nfs/dbraw/zinc/37/06/49/646370649.db2.gz NHVIDTQAYBIAKH-VWYCJHECSA-N 2 0 212.337 0.863 20 0 BCADRP C[C@@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925628965 646374887 /nfs/dbraw/zinc/37/48/87/646374887.db2.gz IFIQYFAIUYBFHG-OPRDCNLKSA-N 2 0 200.326 0.863 20 0 BCADRP C[N@H+]1CC=C(CN[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925634384 646378069 /nfs/dbraw/zinc/37/80/69/646378069.db2.gz HVWMCOZWJDQYAY-GFCCVEGCSA-N 2 0 223.364 0.978 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)N[C@@H]1C[NH2+]CCOC1 ZINC000925668422 646389511 /nfs/dbraw/zinc/38/95/11/646389511.db2.gz HDFUNAUXMWYPNP-QWHCGFSZSA-N 2 0 243.395 0.685 20 0 BCADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1C[NH2+]CCOC1 ZINC000925668031 646398793 /nfs/dbraw/zinc/39/87/93/646398793.db2.gz FNVZOEOTTCJIPJ-NEPJUHHUSA-N 2 0 229.368 0.293 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NCC[N@H+]1CC=CCC1 ZINC000925664617 646399019 /nfs/dbraw/zinc/39/90/19/646399019.db2.gz ZOEAMWMPSGLPAM-GFCCVEGCSA-N 2 0 223.364 0.978 20 0 BCADRP C[C@@H]1NCCC[C@@H]1[NH2+]CCC1(O)CCOCC1 ZINC000925672118 646402992 /nfs/dbraw/zinc/40/29/92/646402992.db2.gz UFHFDEKXAGMSQD-RYUDHWBXSA-N 2 0 242.363 0.648 20 0 BCADRP C[C@@H](C[NH+](C)C)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925674626 646403799 /nfs/dbraw/zinc/40/37/99/646403799.db2.gz STVWZKLQAVSXGE-ASHHDVGLSA-N 2 0 223.364 0.523 20 0 BCADRP CC1(C)CCC[N@@H+]1CCN[C@H]1C[NH2+]CCOC1 ZINC000925684373 646410425 /nfs/dbraw/zinc/41/04/25/646410425.db2.gz HTJHEDLKKUIBBC-LBPRGKRZSA-N 2 0 241.379 0.439 20 0 BCADRP C[N@@H+]1CCC[C@H](CCN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925686373 646413353 /nfs/dbraw/zinc/41/33/53/646413353.db2.gz SKUPHKONDHVJSJ-CHWSQXEVSA-N 2 0 241.379 0.296 20 0 BCADRP Cc1nccn1CCC[N@@H+](C)C[C@H](O)[C@H](C)O ZINC000930060590 646414584 /nfs/dbraw/zinc/41/45/84/646414584.db2.gz MRSANTBWVXXTGZ-JQWIXIFHSA-N 2 0 241.335 0.255 20 0 BCADRP CC[NH2+]CCCN[C@H]1CC[NH2+]C12CCC2 ZINC000925688271 646415292 /nfs/dbraw/zinc/41/52/92/646415292.db2.gz CMASAWODNOORER-NSHDSACASA-N 2 0 211.353 0.860 20 0 BCADRP CC1(C)[C@H]([NH2+][C@H]2C[C@@H](O)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925692208 646418433 /nfs/dbraw/zinc/41/84/33/646418433.db2.gz NHIRAQVEAKTFNS-CSYMLDBXSA-N 2 0 224.348 0.876 20 0 BCADRP C[C@H]([NH3+])CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925694246 646420286 /nfs/dbraw/zinc/42/02/86/646420286.db2.gz RLGJBEPDPGYZIN-QWRGUYRKSA-N 2 0 211.353 0.988 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000925695792 646422122 /nfs/dbraw/zinc/42/21/22/646422122.db2.gz XMJATPPVPYSQIS-WDEREUQCSA-N 2 0 211.353 0.859 20 0 BCADRP CC(C)([NH3+])CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925699418 646423212 /nfs/dbraw/zinc/42/32/12/646423212.db2.gz ONESNQZJBVGGNC-JTQLQIEISA-N 2 0 211.353 0.988 20 0 BCADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C2(C)C)CC[NH2+]1 ZINC000925700242 646423803 /nfs/dbraw/zinc/42/38/03/646423803.db2.gz OHOZRDYFLJFZOI-VWYCJHECSA-N 2 0 211.353 0.857 20 0 BCADRP [NH3+][C@H]1C[C@H](NCC2([NH3+])CCC2)C12CCC2 ZINC000925698464 646423952 /nfs/dbraw/zinc/42/39/52/646423952.db2.gz JTERJWXSSDGQFJ-UWVGGRQHSA-N 2 0 209.337 0.727 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC[NH2+][C@H]1C ZINC000925698569 646423959 /nfs/dbraw/zinc/42/39/59/646423959.db2.gz FYUXOYRUDBGRPD-USZNOCQGSA-N 2 0 211.353 0.857 20 0 BCADRP C[NH2+][C@H](C)CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925701223 646425637 /nfs/dbraw/zinc/42/56/37/646425637.db2.gz VWMMRNNMDYUSRR-WYUUTHIRSA-N 2 0 225.380 0.961 20 0 BCADRP C[C@@H]1NCCC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000925702493 646427537 /nfs/dbraw/zinc/42/75/37/646427537.db2.gz AOXCRBMILAQSDJ-BJDJZHNGSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925702517 646427850 /nfs/dbraw/zinc/42/78/50/646427850.db2.gz AZTYTMUQQOEVMC-GARJFASQSA-N 2 0 211.353 0.986 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@@H](N[C@H]2CC[NH2+]C2)C1 ZINC000925708006 646433130 /nfs/dbraw/zinc/43/31/30/646433130.db2.gz AZVIPZCSZBGMSG-GARJFASQSA-N 2 0 211.353 0.844 20 0 BCADRP [NH3+][C@@H]1C[C@@H](NCCC[NH2+]C2CC2)C12CCC2 ZINC000925711442 646435687 /nfs/dbraw/zinc/43/56/87/646435687.db2.gz ZDGVWUWIVYCDOU-VXGBXAGGSA-N 2 0 223.364 0.988 20 0 BCADRP [NH3+][C@H]1C[C@@H](NCCC[NH2+]C2CC2)C12CCC2 ZINC000925711439 646436659 /nfs/dbraw/zinc/43/66/59/646436659.db2.gz ZDGVWUWIVYCDOU-NWDGAFQWSA-N 2 0 223.364 0.988 20 0 BCADRP CC(C)C[N@H+](C)CCCN[C@H]1C[NH2+]CCOC1 ZINC000925714547 646438674 /nfs/dbraw/zinc/43/86/74/646438674.db2.gz ZHXJCCBOIZNEKD-ZDUSSCGKSA-N 2 0 243.395 0.542 20 0 BCADRP COC[C@@H](CC[NH2+][C@@H]1CC[NH2+]C1(C)C)OC ZINC000925714774 646439204 /nfs/dbraw/zinc/43/92/04/646439204.db2.gz WNXYPCHDMLGMPU-GHMZBOCLSA-N 2 0 230.352 0.768 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@@H]1C ZINC000925717014 646440452 /nfs/dbraw/zinc/44/04/52/646440452.db2.gz CYIONTCZLXDBHN-NFXCPBFJSA-N 2 0 223.364 0.855 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@@H]1C ZINC000925717010 646440880 /nfs/dbraw/zinc/44/08/80/646440880.db2.gz CYIONTCZLXDBHN-DVWMECQTSA-N 2 0 223.364 0.855 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCC[NH2+][C@@H]1C ZINC000925718957 646440938 /nfs/dbraw/zinc/44/09/38/646440938.db2.gz KSMKJTADFAIZIH-NOOOWODRSA-N 2 0 211.353 0.857 20 0 BCADRP C/C=C\C[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925717034 646441242 /nfs/dbraw/zinc/44/12/42/646441242.db2.gz HWJBXADSJVZEPX-WECWEANOSA-N 2 0 210.321 0.904 20 0 BCADRP C[NH2+]CCOCCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925718146 646442657 /nfs/dbraw/zinc/44/26/57/646442657.db2.gz HLJGJWLKTUAWDG-GFCCVEGCSA-N 2 0 241.379 0.487 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[NH2+][C@@H]1C ZINC000925718958 646442920 /nfs/dbraw/zinc/44/29/20/646442920.db2.gz KSMKJTADFAIZIH-WRWGMCAJSA-N 2 0 211.353 0.857 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NCC1([NH3+])CCOCC1 ZINC000925721335 646446541 /nfs/dbraw/zinc/44/65/41/646446541.db2.gz ZGXIZHBKYYVHDC-MNOVXSKESA-N 2 0 227.352 0.224 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925721014 646446868 /nfs/dbraw/zinc/44/68/68/646446868.db2.gz WMWXJFBXIFYCCR-ZYUZMQFOSA-N 2 0 223.320 0.110 20 0 BCADRP CC1(C)CC[C@@H](CN[C@H]2C[NH2+]CCOC2)[NH2+]C1 ZINC000925726850 646451590 /nfs/dbraw/zinc/45/15/90/646451590.db2.gz XEBNVIVBIXFMES-RYUDHWBXSA-N 2 0 241.379 0.343 20 0 BCADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])C1 ZINC000925736412 646460157 /nfs/dbraw/zinc/46/01/57/646460157.db2.gz MPTWSHVVEIRPEV-JZRPKSSGSA-N 2 0 242.363 0.753 20 0 BCADRP CC(C)([NH3+])CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925738391 646460590 /nfs/dbraw/zinc/46/05/90/646460590.db2.gz TUFVGSBDKDCUAL-VHSXEESVSA-N 2 0 211.353 0.973 20 0 BCADRP CC(C)([NH3+])CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925738055 646460738 /nfs/dbraw/zinc/46/07/38/646460738.db2.gz MJJGBFICSZQTHB-ZACCUICWSA-N 3 0 211.353 0.986 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NCc1cc(N)cc[nH+]1 ZINC000925765702 646466354 /nfs/dbraw/zinc/46/63/54/646466354.db2.gz CQFCPRFOZOHIQQ-IUCAKERBSA-N 2 0 208.309 0.879 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NCc1cc(N)cc[nH+]1 ZINC000925765507 646467215 /nfs/dbraw/zinc/46/72/15/646467215.db2.gz CQFCPRFOZOHIQQ-DTWKUNHWSA-N 2 0 208.309 0.879 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NCc1cc(N)cc[nH+]1 ZINC000925768709 646468268 /nfs/dbraw/zinc/46/82/68/646468268.db2.gz WAHBOKMASWTEST-BXKDBHETSA-N 2 0 220.320 0.751 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(N)ccn1 ZINC000925766338 646468354 /nfs/dbraw/zinc/46/83/54/646468354.db2.gz JCEXEIUSICSWMT-LLVKDONJSA-N 2 0 238.335 0.507 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NCc1cc(N)cc[nH+]1 ZINC000925768711 646469447 /nfs/dbraw/zinc/46/94/47/646469447.db2.gz WAHBOKMASWTEST-JOYOIKCWSA-N 2 0 220.320 0.751 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000925771204 646471560 /nfs/dbraw/zinc/47/15/60/646471560.db2.gz NAJDLRIAPUBEAI-UMNHJUIQSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925775442 646474667 /nfs/dbraw/zinc/47/46/67/646474667.db2.gz GSQCQIPBGQLRHA-GARJFASQSA-N 2 0 247.333 0.948 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NC[C@H]1C[NH2+]CCC1(F)F ZINC000925775443 646475997 /nfs/dbraw/zinc/47/59/97/646475997.db2.gz GSQCQIPBGQLRHA-HBNTYKKESA-N 2 0 247.333 0.948 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1nnc2ccccn21 ZINC000925779836 646477032 /nfs/dbraw/zinc/47/70/32/646477032.db2.gz MXWRVWNLOXLMOR-QWRGUYRKSA-N 2 0 247.346 0.987 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000925781257 646477260 /nfs/dbraw/zinc/47/72/60/646477260.db2.gz WIFKCRHHVHEFKM-MXWKQRLJSA-N 2 0 209.337 0.469 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1nnc2ccccn21 ZINC000925780105 646477347 /nfs/dbraw/zinc/47/73/47/646477347.db2.gz OKSIYLBNZTZOIQ-GHMZBOCLSA-N 2 0 245.330 0.741 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000925785342 646480975 /nfs/dbraw/zinc/48/09/75/646480975.db2.gz WJZDYNBEXPPJTH-FVCCEPFGSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@H](NC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000925784542 646481561 /nfs/dbraw/zinc/48/15/61/646481561.db2.gz HAGSGRGPPAJXKZ-VOAKCMCISA-N 2 0 225.380 0.962 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCC[NH2+][C@H]1C ZINC000925787451 646482388 /nfs/dbraw/zinc/48/23/88/646482388.db2.gz SNMVKFPIGNNZKL-NOOOWODRSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925791567 646485850 /nfs/dbraw/zinc/48/58/50/646485850.db2.gz BDYHAIKRXROSEB-DDHJBXDOSA-N 3 0 213.369 0.947 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000925798421 646487264 /nfs/dbraw/zinc/48/72/64/646487264.db2.gz WPKRXWMAZLKBLJ-XQHKEYJVSA-N 3 0 225.380 0.949 20 0 BCADRP C[C@@H](NCc1cc(N(C)C)cc[nH+]1)C1C[NH2+]C1 ZINC000925814063 646489587 /nfs/dbraw/zinc/48/95/87/646489587.db2.gz XXSASPLXZHETGC-SNVBAGLBSA-N 2 0 234.347 0.845 20 0 BCADRP C[C@H](NCCN1CCC([NH3+])CC1)[C@H]1CCC[NH2+]1 ZINC000925816406 646492025 /nfs/dbraw/zinc/49/20/25/646492025.db2.gz GOCCUGIWBBLLIG-WCQYABFASA-N 2 0 240.395 0.140 20 0 BCADRP C[C@H](NCCN1CCC([NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000925816404 646492347 /nfs/dbraw/zinc/49/23/47/646492347.db2.gz GOCCUGIWBBLLIG-AAEUAGOBSA-N 2 0 240.395 0.140 20 0 BCADRP CN(C)c1cc[nH+]c(CN[C@H]2CC[NH2+]C2)c1 ZINC000925813513 646492595 /nfs/dbraw/zinc/49/25/95/646492595.db2.gz URBZPVOLSOHZIV-JTQLQIEISA-N 2 0 220.320 0.599 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NCCN1CCC([NH3+])CC1 ZINC000925817908 646493562 /nfs/dbraw/zinc/49/35/62/646493562.db2.gz XLEAWOICYNQXQB-LBPRGKRZSA-N 2 0 240.395 0.140 20 0 BCADRP CC[C@@H](CN1CCOCC1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000925825817 646498328 /nfs/dbraw/zinc/49/83/28/646498328.db2.gz IGANQHLAUGQATE-AAEUAGOBSA-N 2 0 241.379 0.295 20 0 BCADRP Cc1cc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])nn1C ZINC000925835269 646502945 /nfs/dbraw/zinc/50/29/45/646502945.db2.gz REYQURHXDCVULH-ZJUUUORDSA-N 2 0 224.352 0.986 20 0 BCADRP Cc1cc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])nn1C ZINC000925835266 646503161 /nfs/dbraw/zinc/50/31/61/646503161.db2.gz REYQURHXDCVULH-NXEZZACHSA-N 2 0 224.352 0.986 20 0 BCADRP CCO[C@@H](CN[C@@H]1CCC[NH2+]CC1)C[NH+](C)C ZINC000925838275 646504931 /nfs/dbraw/zinc/50/49/31/646504931.db2.gz KYADGUOGAQERBJ-OLZOCXBDSA-N 2 0 243.395 0.685 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000925837550 646505143 /nfs/dbraw/zinc/50/51/43/646505143.db2.gz HCSSAYIRXKCIOP-QJPTWQEYSA-N 2 0 239.363 0.762 20 0 BCADRP CCO[C@H](CN[C@@H]1CCC[C@H]1[NH3+])C[NH+](C)C ZINC000925838413 646505158 /nfs/dbraw/zinc/50/51/58/646505158.db2.gz MCBFBESFYLXVJF-IJLUTSLNSA-N 2 0 229.368 0.423 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC[C@H]1CNC(=O)C1 ZINC000925837724 646505397 /nfs/dbraw/zinc/50/53/97/646505397.db2.gz HCSSAYIRXKCIOP-UTUOFQBUSA-N 2 0 239.363 0.762 20 0 BCADRP CCO[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)C[NH+](C)C ZINC000925837688 646505415 /nfs/dbraw/zinc/50/54/15/646505415.db2.gz HRHPJAKDKKXECY-JHJVBQTASA-N 2 0 243.395 0.541 20 0 BCADRP C(CCN[C@@H]1CC[NH2+]C1)CCN1CC[NH2+]CC1 ZINC000925840702 646505708 /nfs/dbraw/zinc/50/57/08/646505708.db2.gz KMPGKCTZVJFTJK-CYBMUJFWSA-N 2 0 240.395 0.013 20 0 BCADRP CCC[C@H](O)CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000925860393 646512392 /nfs/dbraw/zinc/51/23/92/646512392.db2.gz YCFKBORYSIQKAQ-WUHRBBMRSA-N 2 0 244.379 0.879 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CNOC2)[C@@H]2CCC[C@@H]21 ZINC000925865313 646516370 /nfs/dbraw/zinc/51/63/70/646516370.db2.gz GGQOSDDEPYNHRY-BJDJZHNGSA-N 2 0 225.336 0.352 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCO[C@H]1CCOC1 ZINC000925874306 646523726 /nfs/dbraw/zinc/52/37/26/646523726.db2.gz IJLAFGPZZWVZJZ-AXFHLTTASA-N 2 0 216.325 0.507 20 0 BCADRP CCOCCOCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000925875150 646525345 /nfs/dbraw/zinc/52/53/45/646525345.db2.gz PMNMLDUAJJWOND-GHMZBOCLSA-N 2 0 218.341 0.755 20 0 BCADRP CCOCCOCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000925876204 646525955 /nfs/dbraw/zinc/52/59/55/646525955.db2.gz YVCJHBYFEHMKIU-NEPJUHHUSA-N 2 0 230.352 0.757 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOC1CCOCC1 ZINC000925877204 646528154 /nfs/dbraw/zinc/52/81/54/646528154.db2.gz FZCAOKAPKAHOGK-QWRGUYRKSA-N 2 0 230.352 0.897 20 0 BCADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C12CCC2 ZINC000925880111 646528869 /nfs/dbraw/zinc/52/88/69/646528869.db2.gz OGELHLRZPFDCJG-KXNHARMFSA-N 3 0 223.364 0.973 20 0 BCADRP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925883350 646532433 /nfs/dbraw/zinc/53/24/33/646532433.db2.gz VNKNHNJZXFAKHH-AXFHLTTASA-N 2 0 248.392 0.527 20 0 BCADRP CC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723893774 711544353 /nfs/dbraw/zinc/54/43/53/711544353.db2.gz DDMFPJLOZLGJLR-MXWKQRLJSA-N 2 0 200.326 0.674 20 0 BCADRP C[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1CC[NH3+] ZINC000723882834 711543548 /nfs/dbraw/zinc/54/35/48/711543548.db2.gz LQYROXKPFPORDI-GHMZBOCLSA-N 2 0 222.336 0.837 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000892099607 711574850 /nfs/dbraw/zinc/57/48/50/711574850.db2.gz SRZACYQJWXCYPG-UTLUCORTSA-N 2 0 228.340 0.116 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)NC/C=C\C[NH3+] ZINC000892122795 711575974 /nfs/dbraw/zinc/57/59/74/711575974.db2.gz STENXIIEWRNYTH-WAYWQWQTSA-N 2 0 242.367 0.662 20 0 BCADRP CC1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])OCCO1 ZINC000716823382 711584698 /nfs/dbraw/zinc/58/46/98/711584698.db2.gz YSKARDCBIBZNRN-NXEZZACHSA-N 2 0 214.309 0.466 20 0 BCADRP CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)CCCC[NH3+] ZINC000724872246 711622213 /nfs/dbraw/zinc/62/22/13/711622213.db2.gz KDNOFVNHICNUDF-IJLUTSLNSA-N 2 0 230.352 0.897 20 0 BCADRP [NH3+]C[C@H]1CC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724913208 711626909 /nfs/dbraw/zinc/62/69/09/711626909.db2.gz FPDHMZKQPLDYCE-GHMZBOCLSA-N 2 0 214.309 0.073 20 0 BCADRP C[C@@]1(C[NH3+])CC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724914137 711627541 /nfs/dbraw/zinc/62/75/41/711627541.db2.gz JGMZBHJEWQXMMM-NEPJUHHUSA-N 2 0 228.336 0.463 20 0 BCADRP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000309064083 711661140 /nfs/dbraw/zinc/66/11/40/711661140.db2.gz YBQNMHBYEGMTRN-UTUOFQBUSA-N 2 0 212.337 0.831 20 0 BCADRP CCOCCOCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925875548 711761567 /nfs/dbraw/zinc/76/15/67/711761567.db2.gz UMIUSYQXXLPSFQ-VXGBXAGGSA-N 2 0 242.363 0.899 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(C)(C)O)C1 ZINC000721835326 711779436 /nfs/dbraw/zinc/77/94/36/711779436.db2.gz FTRRWRJBYMXDRQ-VXGBXAGGSA-N 2 0 244.379 0.392 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(C)(C)O)C1 ZINC000721835322 711779458 /nfs/dbraw/zinc/77/94/58/711779458.db2.gz FTRRWRJBYMXDRQ-RYUDHWBXSA-N 2 0 244.379 0.392 20 0 BCADRP [NH3+]CCCCCC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000381623496 711821115 /nfs/dbraw/zinc/82/11/15/711821115.db2.gz JTNRRPOZDCISEF-SNVBAGLBSA-N 2 0 213.325 0.359 20 0 BCADRP CN(C(=O)C[NH+](C)C)C1CCC([NH3+])CC1 ZINC000167984614 711831269 /nfs/dbraw/zinc/83/12/69/711831269.db2.gz RNSMVTFJUNBEMV-UHFFFAOYSA-N 2 0 213.325 0.276 20 0 BCADRP C[N@@H+]1CC[C@H](CNC2=[NH+]CCCCN2)C1 ZINC000700176401 711987318 /nfs/dbraw/zinc/98/73/18/711987318.db2.gz ZBHURYXBHWFOGT-SNVBAGLBSA-N 2 0 210.325 0.267 20 0 BCADRP CN(C[C@H](O)C[NH+]1CCCC1)CC1(C)COC1 ZINC000702971326 712062524 /nfs/dbraw/zinc/06/25/24/712062524.db2.gz GJFTXOQZDHNGRE-LBPRGKRZSA-N 2 0 242.363 0.411 20 0 BCADRP Cn1cncc1CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703560463 712080282 /nfs/dbraw/zinc/08/02/82/712080282.db2.gz CCDDEFORIUYTOB-CMPLNLGQSA-N 2 0 220.320 0.461 20 0 BCADRP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708202505 712183694 /nfs/dbraw/zinc/18/36/94/712183694.db2.gz BOOOOYWJCWCYNK-GMTAPVOTSA-N 2 0 227.352 0.428 20 0 BCADRP CC[C@H](O)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000709055614 712206690 /nfs/dbraw/zinc/20/66/90/712206690.db2.gz BAFQIJHZGQJCMY-MNOVXSKESA-N 2 0 200.326 0.961 20 0 BCADRP C[C@@H](O)C[N@H+](CCC[NH2+]C1CC1)C1CC1 ZINC000709421853 712221174 /nfs/dbraw/zinc/22/11/74/712221174.db2.gz JRUGGCKDESBCDT-SNVBAGLBSA-N 2 0 212.337 0.974 20 0 BCADRP CN(C)C(=O)CC[N@H+](C)CCCCCC[NH3+] ZINC000710751613 712256177 /nfs/dbraw/zinc/25/61/77/712256177.db2.gz UHMZAODEGCUSIA-UHFFFAOYSA-N 2 0 229.368 0.916 20 0 BCADRP C[N@H+](CCCCCC[NH3+])CC(=O)NCC1CC1 ZINC000710751499 712256853 /nfs/dbraw/zinc/25/68/53/712256853.db2.gz SPSHFPWSAWDHTK-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@H](O)CCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710665748 712265252 /nfs/dbraw/zinc/26/52/52/712265252.db2.gz UPVXSTBGDZTDGM-LBPRGKRZSA-N 2 0 244.379 0.536 20 0 BCADRP CC(C)[C@@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710670780 712265595 /nfs/dbraw/zinc/26/55/95/712265595.db2.gz DNNVUANFORJGQJ-LBPRGKRZSA-N 2 0 244.379 0.392 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000711380683 712296289 /nfs/dbraw/zinc/29/62/89/712296289.db2.gz HMCJLLMAXOHIKO-JTQLQIEISA-N 2 0 225.336 0.054 20 0 BCADRP COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H](CF)C1 ZINC000711466092 712302470 /nfs/dbraw/zinc/30/24/70/712302470.db2.gz DPOYWZRNUVWNNK-NWDGAFQWSA-N 2 0 248.342 0.217 20 0 BCADRP COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@H](CF)C1 ZINC000711466095 712302538 /nfs/dbraw/zinc/30/25/38/712302538.db2.gz DPOYWZRNUVWNNK-VXGBXAGGSA-N 2 0 248.342 0.217 20 0 BCADRP O[C@@H](C[NH2+]C[C@@H]1C=CCC1)C[NH+]1CCCC1 ZINC000711653878 712313998 /nfs/dbraw/zinc/31/39/98/712313998.db2.gz FXAUGTNRHXKKHY-OLZOCXBDSA-N 2 0 224.348 0.999 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN2C)CC[N@@H+]1C ZINC000712611931 712437501 /nfs/dbraw/zinc/43/75/01/712437501.db2.gz APQVUBRRUUTMFL-WOPDTQHZSA-N 2 0 211.353 0.763 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNc1cc(C)[nH+]c(N)n1 ZINC000712537444 712442653 /nfs/dbraw/zinc/44/26/53/712442653.db2.gz DINKMWLOYZJGMD-SECBINFHSA-N 2 0 221.308 0.873 20 0 BCADRP C[N@@H+]1CCN(C(=O)C(C)(C)C[NH3+])CCC1(C)C ZINC000712670391 712440389 /nfs/dbraw/zinc/44/03/89/712440389.db2.gz JFZNISIBHPTPEO-UHFFFAOYSA-N 2 0 241.379 0.914 20 0 BCADRP CN1CC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000712554821 712445300 /nfs/dbraw/zinc/44/53/00/712445300.db2.gz CNAMHWVFSZYRQG-WVMKXHBISA-N 2 0 223.364 0.905 20 0 BCADRP C[C@@H]([NH2+]C1CCN(C)CC1)C(=O)NC(C)(C)C ZINC000037249556 712558372 /nfs/dbraw/zinc/55/83/72/712558372.db2.gz FLBUOLUYYTVCOF-SNVBAGLBSA-N 2 0 241.379 0.973 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876795969 712629573 /nfs/dbraw/zinc/62/95/73/712629573.db2.gz IIUNEWRDLQTJND-KWKBKKAHSA-N 2 0 225.336 0.396 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000380176032 712706100 /nfs/dbraw/zinc/70/61/00/712706100.db2.gz XSEJPDHEYXWTSX-QWHCGFSZSA-N 2 0 241.379 0.256 20 0 BCADRP COCC(COC)[NH+]1CCC(C[NH3+])CC1 ZINC000385012459 712707664 /nfs/dbraw/zinc/70/76/64/712707664.db2.gz YCFLSVRKYVRJAD-UHFFFAOYSA-N 2 0 216.325 0.319 20 0 BCADRP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000718010512 712736215 /nfs/dbraw/zinc/73/62/15/712736215.db2.gz INAFSPVLFWBNBU-KKOKHZNYSA-N 2 0 239.363 0.700 20 0 BCADRP CN(C)C(=O)C[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719255205 712801970 /nfs/dbraw/zinc/80/19/70/712801970.db2.gz RBDNPYLAIYYOAN-YOGCLGLASA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1CC[N@H+](CCOCC[NH3+])CCO1 ZINC000719771402 712824182 /nfs/dbraw/zinc/82/41/82/712824182.db2.gz VVEYWZDNFGUYNL-SNVBAGLBSA-N 2 0 202.298 0.073 20 0 BCADRP CCN(C)C[C@H](O)C[NH2+][C@H](C)C(C)(C)OC ZINC000720250673 712829805 /nfs/dbraw/zinc/82/98/05/712829805.db2.gz RCFAFPNUOKLWDZ-GHMZBOCLSA-N 2 0 232.368 0.702 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CC(C)(C)[NH3+] ZINC000720900861 712875049 /nfs/dbraw/zinc/87/50/49/712875049.db2.gz RULDLJZECXBJEE-WDEREUQCSA-N 2 0 239.363 0.809 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C1([NH3+])CC1 ZINC000720884557 712874641 /nfs/dbraw/zinc/87/46/41/712874641.db2.gz CCRCQZDKMZPGLD-ZJUUUORDSA-N 2 0 223.320 0.173 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720946584 712881342 /nfs/dbraw/zinc/88/13/42/712881342.db2.gz GZOZDBYJKKZLPQ-GMTAPVOTSA-N 2 0 200.326 0.864 20 0 BCADRP O=C1OCC[C@@H]1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000393742159 710671655 /nfs/dbraw/zinc/67/16/55/710671655.db2.gz CLBRZPNKHJJMET-GARJFASQSA-N 2 0 224.304 0.091 20 0 BCADRP C[C@H](CC[NH+](C)C)[NH2+]C1CCN(C=O)CC1 ZINC000393747139 710672106 /nfs/dbraw/zinc/67/21/06/710672106.db2.gz KXQBVLSLRFAMRT-LLVKDONJSA-N 2 0 227.352 0.537 20 0 BCADRP CC[NH2+]CC(=O)N(C)C1CCC([NH3+])CC1 ZINC000381708807 710682898 /nfs/dbraw/zinc/68/28/98/710682898.db2.gz JXCDVGFCNMBJBJ-UHFFFAOYSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039030333 710716618 /nfs/dbraw/zinc/71/66/18/710716618.db2.gz YVUQKLFPAIXYRN-NWDGAFQWSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039030338 710718345 /nfs/dbraw/zinc/71/83/45/710718345.db2.gz YVUQKLFPAIXYRN-RYUDHWBXSA-N 2 0 239.363 0.537 20 0 BCADRP C([C@@H]1CCC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000381826943 710723406 /nfs/dbraw/zinc/72/34/06/710723406.db2.gz MOEQNSYQQYMVLK-GRYCIOLGSA-N 2 0 209.337 0.422 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000724564296 710741710 /nfs/dbraw/zinc/74/17/10/710741710.db2.gz VJNFHTDFTRRXRT-USZNOCQGSA-N 2 0 226.320 0.071 20 0 BCADRP C[N@H+](CCO[C@@H]1CCOC1)C1CC([NH3+])C1 ZINC000724935640 710750214 /nfs/dbraw/zinc/75/02/14/710750214.db2.gz IJSZEVHUMZCCIN-VQXHTEKXSA-N 2 0 214.309 0.213 20 0 BCADRP COCC[N@H+](C)CCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396683000 710907489 /nfs/dbraw/zinc/90/74/89/710907489.db2.gz WTNSOKXTQHACBE-VXGBXAGGSA-N 2 0 229.368 0.295 20 0 BCADRP CNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000383772112 710915819 /nfs/dbraw/zinc/91/58/19/710915819.db2.gz NKYSIOLPGLLRLF-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP CCC[N@@H+](CC(=O)N(C)C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000383791524 710936121 /nfs/dbraw/zinc/93/61/21/710936121.db2.gz RDHHLIIRXREAJI-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@H]1C[N@H+](CCn2cccn2)CC[C@@H]1C[NH3+] ZINC000133080231 710968234 /nfs/dbraw/zinc/96/82/34/710968234.db2.gz KHNUPTLSQLOMSO-NWDGAFQWSA-N 2 0 222.336 0.800 20 0 BCADRP CC[C@@]1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCOC1 ZINC000383125728 710977206 /nfs/dbraw/zinc/97/72/06/710977206.db2.gz ULBUEWMYUSRYEA-CHWSQXEVSA-N 2 0 242.363 0.602 20 0 BCADRP C[C@H](CO)CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000383298584 710980496 /nfs/dbraw/zinc/98/04/96/710980496.db2.gz LKUYRFBQZYPGCG-BSCCGWMCSA-N 2 0 238.375 0.981 20 0 BCADRP COCC(COC)[NH2+]CC1CC[NH+](C)CC1 ZINC000384921436 710999298 /nfs/dbraw/zinc/99/92/98/710999298.db2.gz FMOUSHFAHKGGQU-UHFFFAOYSA-N 2 0 230.352 0.579 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000385043014 711004726 /nfs/dbraw/zinc/00/47/26/711004726.db2.gz OMHSUKSGZYXKJQ-JTQLQIEISA-N 2 0 216.325 0.319 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC1=[NH+]CCCN1C ZINC000386599276 711033610 /nfs/dbraw/zinc/03/36/10/711033610.db2.gz UGBAGDHZOWQHCN-LLVKDONJSA-N 2 0 224.352 0.752 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)C[NH2+]CC)C1 ZINC000389170773 711072262 /nfs/dbraw/zinc/07/22/62/711072262.db2.gz NUSLUNWQUXDELM-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP CC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000389605355 711081642 /nfs/dbraw/zinc/08/16/42/711081642.db2.gz XVIAGXSQTQWQHZ-QJPTWQEYSA-N 2 0 212.337 0.641 20 0 BCADRP CCNC(=O)C[N@H+](CC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000390638645 711129383 /nfs/dbraw/zinc/12/93/83/711129383.db2.gz MJJZFWPXKUHIOV-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[N@@H+]1CCN(C[C@H]([NH3+])CC(F)F)CC1(C)C ZINC000390624255 711129637 /nfs/dbraw/zinc/12/96/37/711129637.db2.gz GSVGQZNXUHCBBA-SECBINFHSA-N 2 0 235.322 0.995 20 0 BCADRP C[N@H+]1CC=C(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000392236603 711143034 /nfs/dbraw/zinc/14/30/34/711143034.db2.gz JUKJEDZQEOQXQZ-XPABHHOTSA-N 2 0 247.386 0.834 20 0 BCADRP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@@H]1CCOC1 ZINC000392939451 711154449 /nfs/dbraw/zinc/15/44/49/711154449.db2.gz ZFIXZIHLJUFMPM-DJQKSGLPSA-N 2 0 236.359 0.997 20 0 BCADRP C[C@]1(C[NH3+])CCN(C[C@H](O)C(F)(F)F)C1 ZINC000393728075 711171795 /nfs/dbraw/zinc/17/17/95/711171795.db2.gz JTUIPJYLPQJTJJ-JGVFFNPUSA-N 2 0 226.242 0.580 20 0 BCADRP CC(C)[C@H](CO)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000394072688 711182772 /nfs/dbraw/zinc/18/27/72/711182772.db2.gz QLZDPPFHLLTUNZ-SNIKSBKOSA-N 2 0 238.375 0.837 20 0 BCADRP C[C@H](CCCO)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000394984677 711200132 /nfs/dbraw/zinc/20/01/32/711200132.db2.gz HRPJKDZABVABLX-BBMNEWJDSA-N 2 0 238.375 0.981 20 0 BCADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000398691108 711414605 /nfs/dbraw/zinc/41/46/05/711414605.db2.gz RVEPRICRNFUJDH-WGSKYGEUSA-N 2 0 238.375 0.979 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000381258002 710612656 /nfs/dbraw/zinc/61/26/56/710612656.db2.gz QTXMCKCHXJCDBQ-MNOVXSKESA-N 2 0 230.352 0.362 20 0 BCADRP C([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@@H]1CCCOC1 ZINC000383256402 710978502 /nfs/dbraw/zinc/97/85/02/710978502.db2.gz FQDPRHNPPMPDTG-VZKILSJISA-N 2 0 236.359 0.999 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@@H+](C(COC)COC)C1 ZINC000384974159 711001093 /nfs/dbraw/zinc/00/10/93/711001093.db2.gz PTESFFQSUJOYHZ-NSHDSACASA-N 2 0 230.352 0.579 20 0 BCADRP COCC(COC)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000385008641 711003354 /nfs/dbraw/zinc/00/33/54/711003354.db2.gz XGSRWIZJBSYNFU-UHTWSYAYSA-N 2 0 242.363 0.707 20 0 BCADRP CN1CCC[NH+]=C1NCC(C)(C)C[NH+](C)C ZINC000386508543 711031960 /nfs/dbraw/zinc/03/19/60/711031960.db2.gz WVBREPMCGSOVJL-UHFFFAOYSA-N 2 0 226.368 0.855 20 0 BCADRP C[C@]1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCOC1 ZINC000397151482 711377647 /nfs/dbraw/zinc/37/76/47/711377647.db2.gz JNWHKCCOZZWLLU-XADZXUCXSA-N 2 0 236.359 0.999 20 0 BCADRP C(C[C@@H]1CCOC1)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000383182167 711456147 /nfs/dbraw/zinc/45/61/47/711456147.db2.gz PYYQPHPAQIJOAC-WFQJECDVSA-N 2 0 236.359 0.999 20 0 BCADRP C[NH2+]CCC[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711543739 711463664 /nfs/dbraw/zinc/46/36/64/711463664.db2.gz XHXRGBPYNSZPPE-AOOOYVTPSA-N 2 0 200.351 0.891 20 0 BCADRP C=CCNC(=[NH2+])NC[C@H](C)[NH+]1CCCC1 ZINC000066245304 711503597 /nfs/dbraw/zinc/50/35/97/711503597.db2.gz ALBXKFUFFUNPGE-JTQLQIEISA-N 2 0 210.325 0.561 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000390432906 711512366 /nfs/dbraw/zinc/51/23/66/711512366.db2.gz QKRCCQSNBKMVEX-WPRPVWTQSA-N 2 0 207.277 0.150 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000723699451 711535058 /nfs/dbraw/zinc/53/50/58/711535058.db2.gz SCXASFZUQLIIEN-HTQZYQBOSA-N 2 0 226.242 0.580 20 0 BCADRP Cc1noc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723882508 711543245 /nfs/dbraw/zinc/54/32/45/711543245.db2.gz IUGRTTNNNQFTLL-PSASIEDQSA-N 2 0 224.308 0.795 20 0 BCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CC[NH3+] ZINC000723886377 711543485 /nfs/dbraw/zinc/54/34/85/711543485.db2.gz KLNAGWDEYIZQEE-NXEZZACHSA-N 2 0 225.336 0.182 20 0 BCADRP CO[C@@H]1CC[C@H]1[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000724158549 711565409 /nfs/dbraw/zinc/56/54/09/711565409.db2.gz YCOQJZMRIKSZOY-QJPTWQEYSA-N 2 0 240.347 0.617 20 0 BCADRP CC1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])OCCO1 ZINC000716823386 711584856 /nfs/dbraw/zinc/58/48/56/711584856.db2.gz YSKARDCBIBZNRN-UWVGGRQHSA-N 2 0 214.309 0.466 20 0 BCADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000724562480 711592603 /nfs/dbraw/zinc/59/26/03/711592603.db2.gz GYAKILAVYQDLAT-CYDGBPFRSA-N 2 0 240.347 0.461 20 0 BCADRP C[N@H+](C[C@@H]1C[C@H]2COC[C@H]2O1)CC(C)(C)C[NH3+] ZINC000724564246 711592808 /nfs/dbraw/zinc/59/28/08/711592808.db2.gz RRGRMOXLNBTELK-SDDRHHMPSA-N 2 0 242.363 0.707 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724621142 711600317 /nfs/dbraw/zinc/60/03/17/711600317.db2.gz RLVOULOZRLTGRY-ROHXPCBUSA-N 2 0 240.347 0.506 20 0 BCADRP CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000724874442 711622296 /nfs/dbraw/zinc/62/22/96/711622296.db2.gz VSXFRCHPFKVQAP-IRCOFANPSA-N 2 0 228.336 0.650 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCO[C@@H]1CCOC1 ZINC000724921174 711628657 /nfs/dbraw/zinc/62/86/57/711628657.db2.gz KXMWOQHPGDDYNO-IJLUTSLNSA-N 2 0 228.336 0.604 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCO[C@H]1CCOC1 ZINC000724921178 711628617 /nfs/dbraw/zinc/62/86/17/711628617.db2.gz KXMWOQHPGDDYNO-WOPDTQHZSA-N 2 0 228.336 0.604 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCO[C@@H]1CCOC1 ZINC000724921172 711628835 /nfs/dbraw/zinc/62/88/35/711628835.db2.gz KXMWOQHPGDDYNO-GRYCIOLGSA-N 2 0 228.336 0.604 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO[C@H]1CCOC1)C2 ZINC000724960435 711634180 /nfs/dbraw/zinc/63/41/80/711634180.db2.gz NSNVNGNAASWKOY-RNJOBUHISA-N 2 0 240.347 0.604 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO[C@@H]1CCOC1)C2 ZINC000724960437 711634659 /nfs/dbraw/zinc/63/46/59/711634659.db2.gz NSNVNGNAASWKOY-ZDEQEGDKSA-N 2 0 240.347 0.604 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724957232 711634640 /nfs/dbraw/zinc/63/46/40/711634640.db2.gz VITXSTSOVCRUPH-RYUDHWBXSA-N 2 0 228.336 0.463 20 0 BCADRP CC[C@H](O)C[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000725050306 711647091 /nfs/dbraw/zinc/64/70/91/711647091.db2.gz ZDOKZWGBQDNMBC-JTQLQIEISA-N 2 0 216.325 0.197 20 0 BCADRP [NH3+]CC1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000309622030 711654931 /nfs/dbraw/zinc/65/49/31/711654931.db2.gz PFUFGZINBHHQMO-NEPJUHHUSA-N 3 0 211.353 0.785 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NCCOCC[NH+](C)C ZINC000396587808 711702410 /nfs/dbraw/zinc/70/24/10/711702410.db2.gz AYOOATVLPUPGEK-NEPJUHHUSA-N 2 0 229.368 0.295 20 0 BCADRP COCCOC[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000893302967 711704515 /nfs/dbraw/zinc/70/45/15/711704515.db2.gz JDXLWYIMFSZZAX-LBPRGKRZSA-N 2 0 242.363 0.889 20 0 BCADRP [NH3+]C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC1 ZINC000925700951 711710568 /nfs/dbraw/zinc/71/05/68/711710568.db2.gz XRLFMIZVXGODNQ-MCDVFOBDSA-N 2 0 221.348 0.310 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334232044 711714060 /nfs/dbraw/zinc/71/40/60/711714060.db2.gz MLDBDNIBBDZYEA-ZYHUDNBSSA-N 2 0 225.336 0.326 20 0 BCADRP CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000722184859 711717957 /nfs/dbraw/zinc/71/79/57/711717957.db2.gz XHRDUMOTYLRLPR-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@]1(CN2CC[C@]3(CCC[NH2+]3)C2)CC[NH2+]C1 ZINC000335248075 711720638 /nfs/dbraw/zinc/72/06/38/711720638.db2.gz FLZWHBPXBXZWGG-CHWSQXEVSA-N 2 0 223.364 0.814 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061644954 711759172 /nfs/dbraw/zinc/75/91/72/711759172.db2.gz PYBGPGGCBYKYDF-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP C[NH2+][C@@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000310285565 711760348 /nfs/dbraw/zinc/76/03/48/711760348.db2.gz QKVVVGCZKPIDLU-CHWSQXEVSA-N 2 0 241.379 0.127 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879382 711761910 /nfs/dbraw/zinc/76/19/10/711761910.db2.gz CQYKPBAWAJDZKC-WYUUTHIRSA-N 3 0 211.353 0.831 20 0 BCADRP CCC[NH+]1CCC([NH2+]C[C@@H]2COCO2)CC1 ZINC000894875865 711774173 /nfs/dbraw/zinc/77/41/73/711774173.db2.gz KQEVPFYYANYQCR-GFCCVEGCSA-N 2 0 228.336 0.823 20 0 BCADRP CN(C(=O)CCCCCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000179049223 711781736 /nfs/dbraw/zinc/78/17/36/711781736.db2.gz IMKDROLGGWBTJP-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP C[NH+](C)CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000054239953 711782525 /nfs/dbraw/zinc/78/25/25/711782525.db2.gz BAQVDYOIWKYZJN-UHFFFAOYSA-N 3 0 213.369 0.870 20 0 BCADRP CC(C)(C[NH3+])CC(=O)N1CCC[NH2+]CC1 ZINC000721251514 711794961 /nfs/dbraw/zinc/79/49/61/711794961.db2.gz XGAZNODUELFNTK-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000160057095 711805497 /nfs/dbraw/zinc/80/54/97/711805497.db2.gz OEDGSFOZYDSVSH-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CN(C(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1)C1CC1 ZINC000160038233 711805739 /nfs/dbraw/zinc/80/57/39/711805739.db2.gz XNDKNNJGTIPQGS-SNVBAGLBSA-N 2 0 225.336 0.278 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)C12CCC(CC1)[NH2+]2 ZINC000911715296 711819420 /nfs/dbraw/zinc/81/94/20/711819420.db2.gz WVGGRKUPJOZPKV-AKJDGMEZSA-N 2 0 237.347 0.529 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH3+] ZINC000911715556 711819555 /nfs/dbraw/zinc/81/95/55/711819555.db2.gz ZPMWLRKKZSXGQA-VHSXEESVSA-N 2 0 245.392 0.407 20 0 BCADRP COC[C@@H](CCO)[NH2+]CC1CC[NH+](C)CC1 ZINC000228264931 711834185 /nfs/dbraw/zinc/83/41/85/711834185.db2.gz BRGAAYKWNIKRJL-GFCCVEGCSA-N 2 0 230.352 0.315 20 0 BCADRP CN1CCOC[C@@H]1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000700176442 711987361 /nfs/dbraw/zinc/98/73/61/711987361.db2.gz MRZIUFRGKRDDNV-SRVKXCTJSA-N 2 0 239.363 0.177 20 0 BCADRP CN1CCOC[C@@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000700176421 711987383 /nfs/dbraw/zinc/98/73/83/711987383.db2.gz MRZIUFRGKRDDNV-QJPTWQEYSA-N 2 0 239.363 0.177 20 0 BCADRP COC(=O)N(C)CC[NH2+][C@H](C)CCCC[NH3+] ZINC000701667892 712026868 /nfs/dbraw/zinc/02/68/68/712026868.db2.gz HAOPZQBPZQTPQS-SNVBAGLBSA-N 2 0 231.340 0.792 20 0 BCADRP COC(=O)N(C)CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000701925303 712033918 /nfs/dbraw/zinc/03/39/18/712033918.db2.gz SOOLNOWZAXZELI-QWRGUYRKSA-N 2 0 243.351 0.792 20 0 BCADRP CN(C(=O)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CC1 ZINC000702076835 712037976 /nfs/dbraw/zinc/03/79/76/712037976.db2.gz OKIKDITVNYPGDX-GXFFZTMASA-N 2 0 237.347 0.149 20 0 BCADRP NC(=O)NC1CC[NH+](CCCCCC[NH3+])CC1 ZINC000702145155 712040183 /nfs/dbraw/zinc/04/01/83/712040183.db2.gz PBOOFUUZSVHVIJ-UHFFFAOYSA-N 2 0 242.367 0.638 20 0 BCADRP C[N@@H+]1C[C@@H]2CN(c3cc[nH+]cc3CO)C[C@]2(C)C1 ZINC000702287530 712044774 /nfs/dbraw/zinc/04/47/74/712044774.db2.gz MCCBFVXKVJTISV-OCCSQVGLSA-N 2 0 247.342 0.962 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702378803 712049102 /nfs/dbraw/zinc/04/91/02/712049102.db2.gz FMWWNFCSCFWDMP-ZOBORPQBSA-N 3 0 237.391 0.725 20 0 BCADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3C[C@@H]([NH3+])C3)C[C@]2(C)C1 ZINC000702433947 712053291 /nfs/dbraw/zinc/05/32/91/712053291.db2.gz SFDKCZHJSIMQEM-NDBYEHHHSA-N 3 0 223.364 0.607 20 0 BCADRP [NH3+][C@H]1C[C@@H]([NH2+]CCOCCF)C12CCC2 ZINC000702654680 712058727 /nfs/dbraw/zinc/05/87/27/712058727.db2.gz QBXAQOBNAYBNSL-VHSXEESVSA-N 2 0 216.300 0.832 20 0 BCADRP C1C[C@@H]2C[C@@H](N[C@H]3CNOC3)CC[N@@H+]2C1 ZINC000703308449 712071785 /nfs/dbraw/zinc/07/17/85/712071785.db2.gz CDOYFWYNQUASSM-GARJFASQSA-N 2 0 211.309 0.106 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C1CC([NH3+])C1 ZINC000703585117 712079960 /nfs/dbraw/zinc/07/99/60/712079960.db2.gz XJTKKYPNZDUXCI-XNWIYYODSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)OC[C@H](O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703567230 712080388 /nfs/dbraw/zinc/08/03/88/712080388.db2.gz AYTWDCNINUTMEX-YNEHKIRRSA-N 2 0 242.363 0.314 20 0 BCADRP Cn1cc(CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)cn1 ZINC000703560455 712080462 /nfs/dbraw/zinc/08/04/62/712080462.db2.gz BUYHQMZTXWDJKX-NWDGAFQWSA-N 2 0 220.320 0.461 20 0 BCADRP C[NH2+]C1CC(C(=O)NC2CCC([NH3+])CC2)C1 ZINC000703615891 712081216 /nfs/dbraw/zinc/08/12/16/712081216.db2.gz IIEYSQMBEDHCQD-UHFFFAOYSA-N 2 0 225.336 0.371 20 0 BCADRP COC1CC(C[N@@H+]2CC3CC2(C[NH3+])C3)C1 ZINC000703816444 712089546 /nfs/dbraw/zinc/08/95/46/712089546.db2.gz AMKMOUMRSGEWIU-UHFFFAOYSA-N 2 0 210.321 0.835 20 0 BCADRP COc1cc(CN2CCC[C@@H](C[NH3+])C2)on1 ZINC000705581369 712133316 /nfs/dbraw/zinc/13/33/16/712133316.db2.gz HLXACRYDLHVRAN-VIFPVBQESA-N 2 0 225.292 0.854 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC000705905427 712138805 /nfs/dbraw/zinc/13/88/05/712138805.db2.gz ZHXCRSDLJRBAGQ-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP C[C@H](C[N@@H+]1CC[C@@H](CC[NH3+])C1)CS(C)(=O)=O ZINC000706567655 712149993 /nfs/dbraw/zinc/14/99/93/712149993.db2.gz AFPRHAMFSPIXGF-GHMZBOCLSA-N 2 0 248.392 0.338 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000707235754 712167189 /nfs/dbraw/zinc/16/71/89/712167189.db2.gz TVWVBMMUFKYNNR-AGIUHOORSA-N 2 0 224.348 0.954 20 0 BCADRP CN(CCn1cccn1)C[C@@H]([NH3+])CC(F)F ZINC000707397191 712170199 /nfs/dbraw/zinc/17/01/99/712170199.db2.gz SMZVJABDQRPFBB-VIFPVBQESA-N 2 0 232.278 0.797 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCOCC23CCC3)C1 ZINC000707459566 712170799 /nfs/dbraw/zinc/17/07/99/712170799.db2.gz HIXMVWBKNXJWJG-PHIMTYICSA-N 2 0 210.321 0.979 20 0 BCADRP CSC1CC([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000708274568 712184955 /nfs/dbraw/zinc/18/49/55/712184955.db2.gz PJUCGZQAKNYJEI-MOENNCHZSA-N 2 0 244.404 0.927 20 0 BCADRP CN(C[C@H](O)C[NH+]1CCCC1)CC(C)(C)[NH3+] ZINC000709317790 712219715 /nfs/dbraw/zinc/21/97/15/712219715.db2.gz HQCUFWNQIPQQEG-NSHDSACASA-N 2 0 229.368 0.112 20 0 BCADRP C[N@@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709408059 712221496 /nfs/dbraw/zinc/22/14/96/712221496.db2.gz SAARUKWJNOCQIH-FBTJUVTCSA-N 2 0 209.337 0.563 20 0 BCADRP C[C@@H]1CO[C@@H](CO)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000709508084 712223371 /nfs/dbraw/zinc/22/33/71/712223371.db2.gz IDQKTECSQIKMRS-DGCLKSJQSA-N 2 0 242.363 0.410 20 0 BCADRP CC[C@@H](C(N)=O)[N@H+](C)CCCCCC[NH3+] ZINC000710713325 712254962 /nfs/dbraw/zinc/25/49/62/712254962.db2.gz GVXKFURKCWKMMA-JTQLQIEISA-N 2 0 215.341 0.701 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000710870092 712260299 /nfs/dbraw/zinc/26/02/99/712260299.db2.gz NAIXVVVTEZXDEX-HAQNSBGRSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1C[NH2+]CC1(C)C)[NH+](C)C ZINC000711250288 712290790 /nfs/dbraw/zinc/29/07/90/712290790.db2.gz OIGACFJDPBSRRJ-ZJUUUORDSA-N 2 0 227.352 0.298 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000711311156 712293715 /nfs/dbraw/zinc/29/37/15/712293715.db2.gz QPNNGBYEGPZELP-WDEREUQCSA-N 2 0 239.363 0.300 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711312674 712293725 /nfs/dbraw/zinc/29/37/25/712293725.db2.gz YKMMPIVVQLKEGS-GHMZBOCLSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H](CCNC(=O)[C@@H]1C[NH2+]CC1(C)C)[NH+](C)C ZINC000711383925 712297902 /nfs/dbraw/zinc/29/79/02/712297902.db2.gz FYXWGIPXUSDMAL-QWRGUYRKSA-N 2 0 241.379 0.688 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711385026 712298003 /nfs/dbraw/zinc/29/80/03/712298003.db2.gz KSTFGJQREGIHBA-SNVBAGLBSA-N 2 0 241.379 0.688 20 0 BCADRP FC[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000711454072 712304020 /nfs/dbraw/zinc/30/40/20/712304020.db2.gz MKTZCSNJYGBCNV-QWRGUYRKSA-N 2 0 228.311 0.799 20 0 BCADRP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)OC1CC1 ZINC000711755681 712324782 /nfs/dbraw/zinc/32/47/82/712324782.db2.gz YCHRNXOTGBTSLF-PWSUYJOCSA-N 2 0 210.321 0.849 20 0 BCADRP Nc1ncccc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479647 712334719 /nfs/dbraw/zinc/33/47/19/712334719.db2.gz RJJBTCOXTRSVOO-JTQLQIEISA-N 2 0 220.320 0.835 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNc1ncnc(N)c1OC ZINC000712582640 712433658 /nfs/dbraw/zinc/43/36/58/712433658.db2.gz ZHNKKZGZILSBKG-MRVPVSSYSA-N 2 0 237.307 0.574 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712670110 712440274 /nfs/dbraw/zinc/44/02/74/712440274.db2.gz XWGIBTDMFVIPEY-SNVBAGLBSA-N 2 0 227.352 0.666 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712675407 712440570 /nfs/dbraw/zinc/44/05/70/712440570.db2.gz YRUSBXGKCUANAU-LLVKDONJSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H]1CCC[N@H+](CCn2cnnn2)[C@H]1CC[NH3+] ZINC000712574853 712448212 /nfs/dbraw/zinc/44/82/12/712448212.db2.gz DNJOXHMOKWJFBS-MNOVXSKESA-N 2 0 238.339 0.122 20 0 BCADRP C[C@@H]1C[N@H+](CCN2CCOC2=O)CC[C@H]1C[NH3+] ZINC000714537973 712494386 /nfs/dbraw/zinc/49/43/86/712494386.db2.gz WUDJOMJKBGNLHG-MNOVXSKESA-N 2 0 241.335 0.355 20 0 BCADRP FC1(F)[C@H]2C[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C[C@H]21 ZINC000715477497 712520701 /nfs/dbraw/zinc/52/07/01/712520701.db2.gz ZDJUFCGVHATADV-BBBLOLIVSA-N 2 0 244.285 0.704 20 0 BCADRP Cn1ncc(C[NH2+]C2CCC([NH+](C)C)CC2)n1 ZINC000715491148 712523126 /nfs/dbraw/zinc/52/31/26/712523126.db2.gz NIAIREOEBJODRR-UHFFFAOYSA-N 2 0 237.351 0.778 20 0 BCADRP COCC[N@H+](CCOCC[NH3+])C1CCOCC1 ZINC000716414550 712559750 /nfs/dbraw/zinc/55/97/50/712559750.db2.gz BCGUGYCGYHDOMS-UHFFFAOYSA-N 2 0 246.351 0.089 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000876795671 712629710 /nfs/dbraw/zinc/62/97/10/712629710.db2.gz HLVUTAJJSNMPHM-GWOFURMSSA-N 2 0 243.326 0.143 20 0 BCADRP C[N@H+](CCNC(=O)CC[NH2+]CC1CC1)C1CC1 ZINC000717172409 712638146 /nfs/dbraw/zinc/63/81/46/712638146.db2.gz VBEQBDUBLKQHJV-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)C(=O)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000380002482 712651526 /nfs/dbraw/zinc/65/15/26/712651526.db2.gz KKRFNNLBLJTPML-QWRGUYRKSA-N 2 0 210.321 0.753 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])NC1CC1 ZINC000221246179 712658746 /nfs/dbraw/zinc/65/87/46/712658746.db2.gz AHUSVKILQMKUIK-SECBINFHSA-N 2 0 212.341 0.993 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000925495405 712698611 /nfs/dbraw/zinc/69/86/11/712698611.db2.gz NBTPVSCYAGJTQZ-PWSUYJOCSA-N 2 0 223.364 0.953 20 0 BCADRP C([NH2+][C@]12C[C@H]1COC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000718107260 712743433 /nfs/dbraw/zinc/74/34/33/712743433.db2.gz KGZQGKYIXFFYAF-XETPVMHDSA-N 2 0 222.332 0.896 20 0 BCADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718154687 712749137 /nfs/dbraw/zinc/74/91/37/712749137.db2.gz JGIYBJGLMCJHCS-RWMBFGLXSA-N 2 0 224.348 0.954 20 0 BCADRP CCCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037859685 712776131 /nfs/dbraw/zinc/77/61/31/712776131.db2.gz DAFOTGPBBMIEJK-NSHDSACASA-N 2 0 200.326 0.833 20 0 BCADRP C[C@H](CNC(=O)C[NH2+]C1CC1)[NH+]1CCCCC1 ZINC000038029521 712800156 /nfs/dbraw/zinc/80/01/56/712800156.db2.gz PDSHLBKXZYOGLN-LLVKDONJSA-N 2 0 239.363 0.729 20 0 BCADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[NH2+]CC1 ZINC000719251378 712801384 /nfs/dbraw/zinc/80/13/84/712801384.db2.gz VEEVOECGHLLTOW-YHWZYXNKSA-N 2 0 223.364 0.812 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000038089262 712807030 /nfs/dbraw/zinc/80/70/30/712807030.db2.gz OXKDYKKZOJWUGJ-JQWIXIFHSA-N 2 0 235.331 0.753 20 0 BCADRP C[C@@H](CNC(=O)CCCCCC[NH3+])[NH+](C)C ZINC000038089306 712807660 /nfs/dbraw/zinc/80/76/60/712807660.db2.gz ZYNOADOWQKUJEA-NSHDSACASA-N 2 0 229.368 0.962 20 0 BCADRP C[C@@H]1[C@@H](NC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000719610847 712816653 /nfs/dbraw/zinc/81/66/53/712816653.db2.gz CMTBAYFUEKZNHA-PWSUYJOCSA-N 2 0 211.353 0.763 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1cccc(Cl)n1 ZINC000380255608 712848652 /nfs/dbraw/zinc/84/86/52/712848652.db2.gz QFLPNQBCIIEDFZ-UHFFFAOYSA-N 2 0 214.700 0.111 20 0 BCADRP CC1(C)CN(C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1[NH3+] ZINC000720770790 712864765 /nfs/dbraw/zinc/86/47/65/712864765.db2.gz ZIFSECZQUNNPGT-RYUDHWBXSA-N 2 0 241.379 0.112 20 0 BCADRP CC1(C)CN(C[C@H](O)C[NH+]2CCCC2)C[C@@H]1[NH3+] ZINC000720770787 712864769 /nfs/dbraw/zinc/86/47/69/712864769.db2.gz ZIFSECZQUNNPGT-NEPJUHHUSA-N 2 0 241.379 0.112 20 0 BCADRP CC1(C)CN(CCc2cn[nH]c2)C[C@@H]1[NH3+] ZINC000720797664 712866570 /nfs/dbraw/zinc/86/65/70/712866570.db2.gz FTDZNCZAINPECF-JTQLQIEISA-N 2 0 208.309 0.621 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720887330 712874537 /nfs/dbraw/zinc/87/45/37/712874537.db2.gz IGLRSSRZABZGIK-SRVKXCTJSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720898677 712875431 /nfs/dbraw/zinc/87/54/31/712875431.db2.gz KQCQDSXKIWEKQG-SRVKXCTJSA-N 2 0 239.363 0.809 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CCC[NH3+] ZINC000720901655 712875925 /nfs/dbraw/zinc/87/59/25/712875925.db2.gz SVDGVQIWFIMOCU-MNOVXSKESA-N 2 0 225.336 0.420 20 0 BCADRP O[C@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000720893616 712875935 /nfs/dbraw/zinc/87/59/35/712875935.db2.gz OJWXEDZOSYKUIN-CYDGBPFRSA-N 2 0 224.348 0.974 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720895494 712876540 /nfs/dbraw/zinc/87/65/40/712876540.db2.gz XWGJZHOOZNRBSB-AEJSXWLSSA-N 2 0 211.309 0.029 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720896769 712876874 /nfs/dbraw/zinc/87/68/74/712876874.db2.gz DNYZAMFRMPHSFK-UTUOFQBUSA-N 2 0 239.363 0.680 20 0 BCADRP O[C@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000720939796 712880494 /nfs/dbraw/zinc/88/04/94/712880494.db2.gz LVNAIESIWXNNTR-SYLRKERUSA-N 2 0 224.348 0.735 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000721074592 712889864 /nfs/dbraw/zinc/88/98/64/712889864.db2.gz PVVYSHIYAWGLCF-KXNHARMFSA-N 2 0 239.363 0.428 20 0 BCADRP O[C@H](C[NH2+][C@@H]1CC12CCC2)C[NH+]1CCCC1 ZINC000721173804 712894798 /nfs/dbraw/zinc/89/47/98/712894798.db2.gz FXOVZSYWVVOUJI-VXGBXAGGSA-N 2 0 224.348 0.975 20 0 BCADRP C[NH+](C)Cc1ccnc(N2C[C@@H]3C[C@]3([NH3+])C2)c1 ZINC001164416295 718888546 /nfs/dbraw/zinc/88/85/46/718888546.db2.gz CWUYWAIETMJAKI-AAEUAGOBSA-N 2 0 232.331 0.681 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000044762311 168320938 /nfs/dbraw/zinc/32/09/38/168320938.db2.gz SIUMZIHGPNCZMQ-UHFFFAOYSA-N 2 0 241.379 0.916 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000044763041 168320976 /nfs/dbraw/zinc/32/09/76/168320976.db2.gz TXMBWIRDXBGUCY-NSHDSACASA-N 2 0 241.379 0.819 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359379159 168322039 /nfs/dbraw/zinc/32/20/39/168322039.db2.gz NTRLAPBUHHTGKZ-PHIMTYICSA-N 2 0 239.363 0.429 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](O)CC1 ZINC000378698853 346811079 /nfs/dbraw/zinc/81/10/79/346811079.db2.gz MHKITWFNJGCXMZ-VXGBXAGGSA-N 2 0 230.352 0.146 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](O)CC1 ZINC000378698851 346811107 /nfs/dbraw/zinc/81/11/07/346811107.db2.gz MHKITWFNJGCXMZ-NWDGAFQWSA-N 2 0 230.352 0.146 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000649322813 398144629 /nfs/dbraw/zinc/14/46/29/398144629.db2.gz NXJHRDLCKMTRTP-GRYCIOLGSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000649322841 398144702 /nfs/dbraw/zinc/14/47/02/398144702.db2.gz PKDKIBWGYOBXAY-SNVBAGLBSA-N 2 0 223.320 0.078 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000378712387 346812285 /nfs/dbraw/zinc/81/22/85/346812285.db2.gz UYDPOYXFRYJGBO-GUBZILKMSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643158 398146553 /nfs/dbraw/zinc/14/65/53/398146553.db2.gz LHMCVLQONOLWFA-RCWTZXSCSA-N 2 0 225.336 0.241 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643157 398146700 /nfs/dbraw/zinc/14/67/00/398146700.db2.gz LHMCVLQONOLWFA-CHWFTXMASA-N 2 0 225.336 0.241 20 0 BCADRP C[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC(=O)N1 ZINC000257772182 349483771 /nfs/dbraw/zinc/48/37/71/349483771.db2.gz DCLSZDXICGSRTG-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CCC(N)=O)C1 ZINC000257785230 349483804 /nfs/dbraw/zinc/48/38/04/349483804.db2.gz VWAAZQCHHRAVLR-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[C@@H]1CN(C(=O)NCCC[NH3+])CC[N@@H+]1C ZINC000418350737 192026677 /nfs/dbraw/zinc/02/66/77/192026677.db2.gz LQBKOQBONOTNOX-NSHDSACASA-N 2 0 242.367 0.317 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)C2CC[NH2+]CC2)C1 ZINC000649342083 398158624 /nfs/dbraw/zinc/15/86/24/398158624.db2.gz LFIUWJKKMXVDSM-LLVKDONJSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)CC(C)(C)[NH3+])C1 ZINC000649342022 398158790 /nfs/dbraw/zinc/15/87/90/398158790.db2.gz HUECNIDAEDKLQZ-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000649342023 398158879 /nfs/dbraw/zinc/15/88/79/398158879.db2.gz HUNPEORFRSLLND-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)CC2([NH3+])CCC2)C1 ZINC000649342061 398159066 /nfs/dbraw/zinc/15/90/66/398159066.db2.gz JQAKQPYCXOYAHM-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]CC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000063166130 349501004 /nfs/dbraw/zinc/50/10/04/349501004.db2.gz OUVSEQRGSCQVLK-UHFFFAOYSA-N 2 0 213.325 0.006 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000602324734 349505234 /nfs/dbraw/zinc/50/52/34/349505234.db2.gz LFBVAKLYHNCTSD-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063121290 349505717 /nfs/dbraw/zinc/50/57/17/349505717.db2.gz VEHPCYQASWDOAS-SNVBAGLBSA-N 2 0 227.352 0.381 20 0 BCADRP COCCN(C)CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422906125 398156866 /nfs/dbraw/zinc/15/68/66/398156866.db2.gz JEQANALMMTVLKI-CHWSQXEVSA-N 2 0 243.395 0.542 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000649341515 398158085 /nfs/dbraw/zinc/15/80/85/398158085.db2.gz CJGWFILFTUGRTA-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)[NH+](C)C ZINC000649354397 398167480 /nfs/dbraw/zinc/16/74/80/398167480.db2.gz KMVRQVVQDLGGPQ-KXUCPTDWSA-N 2 0 213.325 0.132 20 0 BCADRP C[C@@H](C(=O)Nc1cnc2c(c1)C[NH2+]CC2)[NH+](C)C ZINC000649354668 398167500 /nfs/dbraw/zinc/16/75/00/398167500.db2.gz BWCPICCYSZCXMJ-VIFPVBQESA-N 2 0 248.330 0.616 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000040807278 398168018 /nfs/dbraw/zinc/16/80/18/398168018.db2.gz ONSMXSGONYBGCX-GFCCVEGCSA-N 2 0 229.368 0.960 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC(C)([NH3+])CC1)[NH+](C)C ZINC000649357778 398170536 /nfs/dbraw/zinc/17/05/36/398170536.db2.gz JEYHFSMLOLSTFS-LLVKDONJSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000649359823 398171685 /nfs/dbraw/zinc/17/16/85/398171685.db2.gz FAJWCQKTFYAXFR-KXUCPTDWSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000649359803 398172041 /nfs/dbraw/zinc/17/20/41/398172041.db2.gz CDGMOCPXBYQQRZ-BBBLOLIVSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@]1(C[NH3+])CC[N@H+](CCc2cn[nH]c2)C1 ZINC000379860333 398172784 /nfs/dbraw/zinc/17/27/84/398172784.db2.gz LRUMUKWRRZSZFR-NSHDSACASA-N 2 0 208.309 0.623 20 0 BCADRP CC[C@H]1CN(C(=O)[C@H](C)[NH+](C)C)CC[C@@H]1[NH3+] ZINC000649358729 398173675 /nfs/dbraw/zinc/17/36/75/398173675.db2.gz ARBKMCWWZWTVSJ-DCAQKATOSA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H](C)[NH+](C)C)CC[C@@H]1[NH3+] ZINC000649358728 398173989 /nfs/dbraw/zinc/17/39/89/398173989.db2.gz ARBKMCWWZWTVSJ-AXFHLTTASA-N 2 0 227.352 0.522 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000649366330 398176329 /nfs/dbraw/zinc/17/63/29/398176329.db2.gz YOOKYUPYXYVKAO-IVZWLZJFSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122364239 398178519 /nfs/dbraw/zinc/17/85/19/398178519.db2.gz GNFUOPHEYSOGOD-UTLUCORTSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H](C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)[NH+](C)C ZINC000649369351 398179086 /nfs/dbraw/zinc/17/90/86/398179086.db2.gz UAMVKOCFLNOKHX-RHYQMDGZSA-N 2 0 241.379 0.768 20 0 BCADRP COC[C@@H]1C[C@H](OC)C[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000415094649 398160314 /nfs/dbraw/zinc/16/03/14/398160314.db2.gz FGKUEDYMSABICU-AVGNSLFASA-N 2 0 242.363 0.722 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649348655 398162234 /nfs/dbraw/zinc/16/22/34/398162234.db2.gz PXGIMJUDZMXHSG-RPLXWKFWSA-N 2 0 249.358 0.336 20 0 BCADRP C[C@@H]([NH2+]CCC[NH3+])c1ccc(-n2cnnn2)cc1 ZINC000423174827 398164124 /nfs/dbraw/zinc/16/41/24/398164124.db2.gz CDOVWWOHNLLQPC-SNVBAGLBSA-N 2 0 246.318 0.662 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H](C)[NH+](C)C ZINC000390231504 398166667 /nfs/dbraw/zinc/16/66/67/398166667.db2.gz DHFLAVDYCQDNOU-IUCAKERBSA-N 2 0 201.314 0.036 20 0 BCADRP C[NH2+]CCC(=O)NCCC[NH2+]C(C)C ZINC000380347098 398187839 /nfs/dbraw/zinc/18/78/39/398187839.db2.gz UGNCBWJPODJHLG-UHFFFAOYSA-N 2 0 201.314 0.100 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000083884187 398188173 /nfs/dbraw/zinc/18/81/73/398188173.db2.gz SBRKKMVOOYPUJI-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP CN(C(=O)CC1CC[NH2+]CC1)[C@H](C[NH3+])C1CC1 ZINC000576225810 365528454 /nfs/dbraw/zinc/52/84/54/365528454.db2.gz AIURLTMQBIXJRO-GFCCVEGCSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000576225489 365528842 /nfs/dbraw/zinc/52/88/42/365528842.db2.gz PHQPWKMFDSFVQY-NHCYSSNCSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000576225490 365529341 /nfs/dbraw/zinc/52/93/41/365529341.db2.gz PHQPWKMFDSFVQY-UMNHJUIQSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)([NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000576228453 365530027 /nfs/dbraw/zinc/53/00/27/365530027.db2.gz RIGSBLKCMSIPBO-UHFFFAOYSA-N 2 0 221.304 0.499 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000576229305 365531280 /nfs/dbraw/zinc/53/12/80/365531280.db2.gz QNJGWRVODYZJCZ-GMOBBJLQSA-N 2 0 225.336 0.228 20 0 BCADRP OC[C@H](CC(F)F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647795566 398196716 /nfs/dbraw/zinc/19/67/16/398196716.db2.gz RZAUSRZULXQKMC-MMWGEVLESA-N 2 0 248.317 0.980 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000580539690 365560080 /nfs/dbraw/zinc/56/00/80/365560080.db2.gz FJWAPZZEDIWJJL-WCQYABFASA-N 2 0 249.358 0.752 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000446404486 398206087 /nfs/dbraw/zinc/20/60/87/398206087.db2.gz DXLBAGXHOGIBNY-IJLUTSLNSA-N 2 0 241.379 0.959 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000576281153 365549322 /nfs/dbraw/zinc/54/93/22/365549322.db2.gz VTYPWSVMABGRHO-OUAUKWLOSA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000576281154 365549713 /nfs/dbraw/zinc/54/97/13/365549713.db2.gz VTYPWSVMABGRHO-VWYCJHECSA-N 2 0 227.352 0.522 20 0 BCADRP COc1ccc([C@H]2C[NH2+]CCN2CC[NH3+])cc1 ZINC000616635528 398208291 /nfs/dbraw/zinc/20/82/91/398208291.db2.gz BQFNFOHCRALEJW-CYBMUJFWSA-N 2 0 235.331 0.600 20 0 BCADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000576291660 365554869 /nfs/dbraw/zinc/55/48/69/365554869.db2.gz OQNWUJBSVUZESM-KXNHARMFSA-N 2 0 239.363 0.761 20 0 BCADRP CCOCC[C@H](O)C[NH2+]C1CC[NH+](CC)CC1 ZINC000576339232 365569429 /nfs/dbraw/zinc/56/94/29/365569429.db2.gz FLHWYHCCNSAJNA-ZDUSSCGKSA-N 2 0 244.379 0.848 20 0 BCADRP [NH3+][C@H](CNC(=O)C[NH2+]CC1CC1)c1ccccc1 ZINC000262596851 398216294 /nfs/dbraw/zinc/21/62/94/398216294.db2.gz VMKWFJLWXWEUOR-CYBMUJFWSA-N 2 0 247.342 0.802 20 0 BCADRP c1cc(N2CCN(C[C@H]3CC[NH2+]C3)CC2)cc[nH+]1 ZINC000649414825 398218394 /nfs/dbraw/zinc/21/83/94/398218394.db2.gz ZQFMWCBWUWBTMF-ZDUSSCGKSA-N 2 0 246.358 0.813 20 0 BCADRP CCC[NH2+]CCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418363835 192028231 /nfs/dbraw/zinc/02/82/31/192028231.db2.gz IOBATAXFEVJOJF-SNVBAGLBSA-N 2 0 228.340 0.037 20 0 BCADRP Cc1cc(C)n(CCN2CCC[C@@H]([NH3+])C2)n1 ZINC000386747424 398219198 /nfs/dbraw/zinc/21/91/98/398219198.db2.gz FQQLMJZPLFKESV-GFCCVEGCSA-N 2 0 222.336 0.923 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)N(C)CCC[NH3+])CC[N@@H+]1C ZINC000576361079 365577995 /nfs/dbraw/zinc/57/79/95/365577995.db2.gz MMLJVUSBFHDLNO-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000418362990 192028354 /nfs/dbraw/zinc/02/83/54/192028354.db2.gz BQFKBZGAXVJUIL-HBNTYKKESA-N 2 0 242.367 0.269 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)CC[NH3+] ZINC000576330500 365566703 /nfs/dbraw/zinc/56/67/03/365566703.db2.gz YDNFEDVEVKAGEA-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC000576397749 365585348 /nfs/dbraw/zinc/58/53/48/365585348.db2.gz KPIWUYZDUHVADU-GFCCVEGCSA-N 2 0 227.352 0.701 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418378121 192030045 /nfs/dbraw/zinc/03/00/45/192030045.db2.gz HSJHGLKQILNRDQ-QWRGUYRKSA-N 2 0 242.367 0.411 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418378119 192030057 /nfs/dbraw/zinc/03/00/57/192030057.db2.gz HSJHGLKQILNRDQ-GHMZBOCLSA-N 2 0 242.367 0.411 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000418380208 192030551 /nfs/dbraw/zinc/03/05/51/192030551.db2.gz JWLNTVMSTMYKAA-GHMZBOCLSA-N 2 0 240.351 0.180 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418381258 192030570 /nfs/dbraw/zinc/03/05/70/192030570.db2.gz XIOYHMGLLCRQLF-MNOVXSKESA-N 2 0 242.367 0.555 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)[C@H](C)[NH3+] ZINC000576458348 365601002 /nfs/dbraw/zinc/60/10/02/365601002.db2.gz TWLGRNNPDNDGEC-GVXVVHGQSA-N 2 0 241.379 0.803 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@](C)(C[NH3+])C1)[C@H](C)[NH3+] ZINC000576458337 365601293 /nfs/dbraw/zinc/60/12/93/365601293.db2.gz TWLGRNNPDNDGEC-GMXVVIOVSA-N 2 0 241.379 0.803 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000418387255 192031928 /nfs/dbraw/zinc/03/19/28/192031928.db2.gz MDNFLHLBXMOGKZ-JTQLQIEISA-N 2 0 244.383 0.468 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NC[C@@H](C)C[NH2+]C ZINC000418394443 192032168 /nfs/dbraw/zinc/03/21/68/192032168.db2.gz RXGNUMJAFCFSMJ-VHSXEESVSA-N 2 0 230.356 0.139 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000418403249 192033646 /nfs/dbraw/zinc/03/36/46/192033646.db2.gz JEFZGRQRMGENSX-GHMZBOCLSA-N 2 0 242.367 0.493 20 0 BCADRP [NH3+]C[C@H](NC(=O)N[C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000418408972 192034299 /nfs/dbraw/zinc/03/42/99/192034299.db2.gz VBRVTOQZQVFGOW-DCAQKATOSA-N 2 0 240.351 0.293 20 0 BCADRP CN(CC[NH3+])C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418415000 192034705 /nfs/dbraw/zinc/03/47/05/192034705.db2.gz SJPCTXBNQYLMOY-VHSXEESVSA-N 2 0 228.340 0.104 20 0 BCADRP C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000334317553 136225317 /nfs/dbraw/zinc/22/53/17/136225317.db2.gz QPIRVTMACBGXHE-MNOVXSKESA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000132969581 398231671 /nfs/dbraw/zinc/23/16/71/398231671.db2.gz CGQGCZVXCRJMTL-GRYCIOLGSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418435876 192035791 /nfs/dbraw/zinc/03/57/91/192035791.db2.gz GIHGHHSBDMMQBP-OPRDCNLKSA-N 2 0 230.356 0.395 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC1CC[NH+](C)CC1 ZINC000037267584 361801071 /nfs/dbraw/zinc/80/10/71/361801071.db2.gz JXCJAKPJAQHBKM-LLVKDONJSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H](C)C[NH3+] ZINC000418438036 192035927 /nfs/dbraw/zinc/03/59/27/192035927.db2.gz IMLZJVZPXUGZSR-VHSXEESVSA-N 2 0 230.356 0.254 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N(C)CC[NH2+]C ZINC000418437481 192035954 /nfs/dbraw/zinc/03/59/54/192035954.db2.gz CYZNZPWLZGZWCN-JTQLQIEISA-N 2 0 230.356 0.365 20 0 BCADRP C[NH2+]CCN(C)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418417743 192035323 /nfs/dbraw/zinc/03/53/23/192035323.db2.gz VNGGLUNGOFBHAB-MNOVXSKESA-N 2 0 242.367 0.365 20 0 BCADRP C[NH2+]CCN(C)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418417742 192035358 /nfs/dbraw/zinc/03/53/58/192035358.db2.gz VNGGLUNGOFBHAB-GHMZBOCLSA-N 2 0 242.367 0.365 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@@H](C)C[NH3+] ZINC000418436849 192035961 /nfs/dbraw/zinc/03/59/61/192035961.db2.gz JKJQRFSFZDTXQK-QMMMGPOBSA-N 2 0 216.329 0.150 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418435874 192035496 /nfs/dbraw/zinc/03/54/96/192035496.db2.gz GIHGHHSBDMMQBP-KXUCPTDWSA-N 2 0 230.356 0.395 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000418443913 192036298 /nfs/dbraw/zinc/03/62/98/192036298.db2.gz LNGOVIFJCWOWFJ-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C[N@H+](C)C1CCC1 ZINC000629965304 361812091 /nfs/dbraw/zinc/81/20/91/361812091.db2.gz SFYMLOHLSGWSKF-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000576480099 365608081 /nfs/dbraw/zinc/60/80/81/365608081.db2.gz UGOKYLSMKQUINV-WDEREUQCSA-N 2 0 241.379 0.783 20 0 BCADRP CCC[NH2+]CCNC(=O)CCC(C)(C)[NH3+] ZINC000381257209 398244511 /nfs/dbraw/zinc/24/45/11/398244511.db2.gz QYYLPALOECQXSZ-UHFFFAOYSA-N 2 0 215.341 0.620 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000576507188 365611687 /nfs/dbraw/zinc/61/16/87/365611687.db2.gz OSLHDUMGADBZKY-LLVKDONJSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1C[C@H](C)N(C[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000647993001 398245051 /nfs/dbraw/zinc/24/50/51/398245051.db2.gz ZOKTXJWPNQILFP-YVECIDJPSA-N 2 0 225.380 0.901 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000576515288 365614324 /nfs/dbraw/zinc/61/43/24/365614324.db2.gz IAXROXQFZMRJJE-FIQHERPVSA-N 2 0 237.347 0.195 20 0 BCADRP CO[C@H](C[NH3+])CC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000576516376 365615032 /nfs/dbraw/zinc/61/50/32/365615032.db2.gz ANSARJQOZXBVPZ-GARJFASQSA-N 2 0 243.351 0.079 20 0 BCADRP C[C@@H](C(=O)NC1CC[NH+](C2CC2)CC1)[C@H](C)[NH3+] ZINC000134103063 398240921 /nfs/dbraw/zinc/24/09/21/398240921.db2.gz QYEVCICQNHDDPN-ZJUUUORDSA-N 2 0 239.363 0.713 20 0 BCADRP O=C(C[NH2+][C@H]1CC[C@@H]1C1CC1)N1CC[NH2+]CC1 ZINC000576576051 365627667 /nfs/dbraw/zinc/62/76/67/365627667.db2.gz DKDGNVPPSXTNDM-NEPJUHHUSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCCC[NH+]1CCCC1 ZINC000069839048 398249376 /nfs/dbraw/zinc/24/93/76/398249376.db2.gz LYLXIHFQZKNLLP-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000576581353 365630632 /nfs/dbraw/zinc/63/06/32/365630632.db2.gz FFLKASRVZNITGV-USZNOCQGSA-N 2 0 239.363 0.583 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000576628417 365642523 /nfs/dbraw/zinc/64/25/23/365642523.db2.gz YAQMLPCYOAVXHB-QJPTWQEYSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000381323179 398251833 /nfs/dbraw/zinc/25/18/33/398251833.db2.gz PQGQHKVOHWNXOF-MWLCHTKSSA-N 2 0 213.325 0.230 20 0 BCADRP CCS(=O)(=O)C[C@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000576637190 365644541 /nfs/dbraw/zinc/64/45/41/365644541.db2.gz XLUUBPQXGZFTGA-JTQLQIEISA-N 2 0 248.392 0.399 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000576635281 365644605 /nfs/dbraw/zinc/64/46/05/365644605.db2.gz NTFHPVTYCZDVKH-WDEREUQCSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)([NH3+])CCC(=O)NCC1([NH3+])CCC1 ZINC000381548191 398254232 /nfs/dbraw/zinc/25/42/32/398254232.db2.gz LNESOZDKRQMZQO-UHFFFAOYSA-N 2 0 213.325 0.502 20 0 BCADRP OCC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000168835595 538945441 /nfs/dbraw/zinc/94/54/41/538945441.db2.gz JDWOZFITACMYCV-NEPJUHHUSA-N 2 0 224.348 0.975 20 0 BCADRP CN(C(=O)CC(C)(C)[NH3+])[C@H]1C[NH+]2CCC1CC2 ZINC000382415683 398256394 /nfs/dbraw/zinc/25/63/94/398256394.db2.gz MAAXPMHAVYYAGR-NSHDSACASA-N 2 0 239.363 0.666 20 0 BCADRP C[NH+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000176076313 365657189 /nfs/dbraw/zinc/65/71/89/365657189.db2.gz QGTTWILBWCLMIH-LLVKDONJSA-N 2 0 227.352 0.491 20 0 BCADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000381410651 398256430 /nfs/dbraw/zinc/25/64/30/398256430.db2.gz UIPJFKRIAUBZTC-NWDGAFQWSA-N 2 0 210.321 0.708 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000381413378 398256532 /nfs/dbraw/zinc/25/65/32/398256532.db2.gz UCPCMEWQQCWLRG-ONGXEEELSA-N 2 0 213.325 0.039 20 0 BCADRP C([C@H]1CC[NH2+]C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000381420550 398257185 /nfs/dbraw/zinc/25/71/85/398257185.db2.gz XFSJKCXJOXASKQ-CMPLNLGQSA-N 2 0 209.337 0.422 20 0 BCADRP C([C@H]1CC[NH2+]C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000381420551 398257408 /nfs/dbraw/zinc/25/74/08/398257408.db2.gz XFSJKCXJOXASKQ-JQWIXIFHSA-N 2 0 209.337 0.422 20 0 BCADRP CN(C(=O)[C@H]1CCC[NH2+]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000383225731 398257502 /nfs/dbraw/zinc/25/75/02/398257502.db2.gz BARNLVJCQLHITC-VXGBXAGGSA-N 2 0 237.347 0.291 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000381462475 398258741 /nfs/dbraw/zinc/25/87/41/398258741.db2.gz LMYAIIPLTZEFNI-OPRDCNLKSA-N 2 0 213.325 0.310 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000576714048 365666859 /nfs/dbraw/zinc/66/68/59/365666859.db2.gz KFAMTJUAJXJLIZ-LOWDOPEQSA-N 2 0 244.379 0.797 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000381348303 398254249 /nfs/dbraw/zinc/25/42/49/398254249.db2.gz ZTJHCJWWLPLFCQ-SCZZXKLOSA-N 2 0 211.309 0.077 20 0 BCADRP CC[NH+]1CCC(CNC(=O)NCC[NH2+]C)CC1 ZINC000576729748 365672322 /nfs/dbraw/zinc/67/23/22/365672322.db2.gz TUPSZKBTUVZOMX-UHFFFAOYSA-N 2 0 242.367 0.237 20 0 BCADRP O=C(C[NH2+]C1CC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000576744951 365673278 /nfs/dbraw/zinc/67/32/78/365673278.db2.gz FWJOIZSSBRSDRM-UHFFFAOYSA-N 2 0 231.299 0.980 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C[C@@H]1CC[NH2+]C1 ZINC000381540727 398262424 /nfs/dbraw/zinc/26/24/24/398262424.db2.gz IMBFUBXWYWVDLG-NEPJUHHUSA-N 2 0 213.369 0.901 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)CC[NH3+] ZINC000669530041 488177991 /nfs/dbraw/zinc/17/79/91/488177991.db2.gz OMOYIKHENIQDCC-LLVKDONJSA-N 2 0 242.367 0.461 20 0 BCADRP CC(C)([NH3+])CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000381631674 398267744 /nfs/dbraw/zinc/26/77/44/398267744.db2.gz MYIXLAUTQYJIHD-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417781390 398267776 /nfs/dbraw/zinc/26/77/76/398267776.db2.gz JPLMJGNQIVDHLY-VIFPVBQESA-N 2 0 213.325 0.100 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)CC[NH3+] ZINC000669530042 488178038 /nfs/dbraw/zinc/17/80/38/488178038.db2.gz OMOYIKHENIQDCC-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](C)[NH3+] ZINC000669530264 488178053 /nfs/dbraw/zinc/17/80/53/488178053.db2.gz YETPPTBURUQFSN-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP CS[C@@H]1CN(C(=O)C[NH+](C)C)C[C@@H]1[NH+](C)C ZINC000344738177 398270750 /nfs/dbraw/zinc/27/07/50/398270750.db2.gz LTWOOQMFHXLLIF-VHSXEESVSA-N 2 0 245.392 0.052 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC(C[NH2+]C)CC1 ZINC000381644777 398268088 /nfs/dbraw/zinc/26/80/88/398268088.db2.gz BHIVWSACXGQPRL-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H](CO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000035602120 538957246 /nfs/dbraw/zinc/95/72/46/538957246.db2.gz HPUKCTQXSLQZMR-NXEZZACHSA-N 2 0 200.326 0.687 20 0 BCADRP C[C@@H](O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000035601380 538957289 /nfs/dbraw/zinc/95/72/89/538957289.db2.gz RIKFNDWLTBDHAJ-ZJUUUORDSA-N 2 0 200.326 0.687 20 0 BCADRP CC1(CNC(=O)CCC[NH3+])CC[NH2+]CC1 ZINC000183388060 346845538 /nfs/dbraw/zinc/84/55/38/346845538.db2.gz XLRABORFNYIGFM-UHFFFAOYSA-N 2 0 213.325 0.231 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC(C)(C)CCC[NH3+] ZINC000378864728 346848844 /nfs/dbraw/zinc/84/88/44/346848844.db2.gz XZVXOQXBZKGSHQ-QMMMGPOBSA-N 2 0 201.314 0.357 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000602550993 349593059 /nfs/dbraw/zinc/59/30/59/349593059.db2.gz ATEROQYYDIYAPM-BBBLOLIVSA-N 2 0 245.392 0.324 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000602550995 349593174 /nfs/dbraw/zinc/59/31/74/349593174.db2.gz ATEROQYYDIYAPM-UTLUCORTSA-N 2 0 245.392 0.324 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000165380600 361839449 /nfs/dbraw/zinc/83/94/49/361839449.db2.gz JUOQBGUVCNDDAV-KXUCPTDWSA-N 2 0 215.341 0.426 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418487146 192041105 /nfs/dbraw/zinc/04/11/05/192041105.db2.gz HVLSCSYOFYMVDR-DTWKUNHWSA-N 2 0 216.329 0.021 20 0 BCADRP CCCN(C(=O)NC[C@H](C)C[NH3+])[C@H]1CC[NH2+]C1 ZINC000418496571 192042541 /nfs/dbraw/zinc/04/25/41/192042541.db2.gz VPZJXFPVRUUZTA-MNOVXSKESA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418494280 192042554 /nfs/dbraw/zinc/04/25/54/192042554.db2.gz RXAOGROTAKVXJM-BBBLOLIVSA-N 2 0 228.340 0.150 20 0 BCADRP CCC[NH2+]CCNC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000418490805 192041418 /nfs/dbraw/zinc/04/14/18/192041418.db2.gz QLYBBLHFCOSTIF-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP C[NH2+]C[C@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000381852378 398278703 /nfs/dbraw/zinc/27/87/03/398278703.db2.gz TWISESGBUKGGFS-NWDGAFQWSA-N 2 0 211.353 0.527 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000418494802 192042078 /nfs/dbraw/zinc/04/20/78/192042078.db2.gz SWOUWNXSMIKKBO-NXEZZACHSA-N 2 0 228.340 0.104 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)C2([NH3+])CC2)C1 ZINC000309587547 342716337 /nfs/dbraw/zinc/71/63/37/342716337.db2.gz WPRLBHQBUYQRHZ-SECBINFHSA-N 2 0 211.309 0.065 20 0 BCADRP O=C1CCCN1CCN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000335131339 398280993 /nfs/dbraw/zinc/28/09/93/398280993.db2.gz UCZRAVLEEYQYDR-VXGBXAGGSA-N 2 0 237.347 0.150 20 0 BCADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC[NH3+] ZINC000335606129 136236317 /nfs/dbraw/zinc/23/63/17/136236317.db2.gz LNRBZXKYRGNZQG-MNOVXSKESA-N 2 0 240.351 0.213 20 0 BCADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC[NH3+] ZINC000335606138 136236379 /nfs/dbraw/zinc/23/63/79/136236379.db2.gz LNRBZXKYRGNZQG-WDEREUQCSA-N 2 0 240.351 0.213 20 0 BCADRP C[C@H]1CN(C(=O)NCC[NH3+])CC[N@@H+](C2CC2)C1 ZINC000335610448 136236561 /nfs/dbraw/zinc/23/65/61/136236561.db2.gz XMHKFIXKTRJXRL-SNVBAGLBSA-N 2 0 240.351 0.071 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000035222940 342734784 /nfs/dbraw/zinc/73/47/84/342734784.db2.gz CYYISHHAQAKICG-DGCLKSJQSA-N 2 0 247.342 0.724 20 0 BCADRP CC(C)[C@@H](C(=O)NCCCC[NH3+])[C@@H](C)[NH3+] ZINC000399498719 342735425 /nfs/dbraw/zinc/73/54/25/342735425.db2.gz IBECRIRFCHIQFH-NXEZZACHSA-N 2 0 215.341 0.461 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000605331990 342753080 /nfs/dbraw/zinc/75/30/80/342753080.db2.gz WPPWSHBSKIJTDQ-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NCCCC[NH3+] ZINC000418452169 192042788 /nfs/dbraw/zinc/04/27/88/192042788.db2.gz XFEXIYZVISXOGN-SNVBAGLBSA-N 2 0 230.356 0.542 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000309629127 342760373 /nfs/dbraw/zinc/76/03/73/342760373.db2.gz JXOMZTAZDFIGCW-VHSXEESVSA-N 2 0 213.325 0.100 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NCCCC[NH3+] ZINC000418452168 192042918 /nfs/dbraw/zinc/04/29/18/192042918.db2.gz XFEXIYZVISXOGN-JTQLQIEISA-N 2 0 230.356 0.542 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@H](C)CCC[NH3+] ZINC000418450047 192042992 /nfs/dbraw/zinc/04/29/92/192042992.db2.gz UFKSUVUAECYENB-GHMZBOCLSA-N 2 0 244.383 0.786 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000518180196 398282193 /nfs/dbraw/zinc/28/21/93/398282193.db2.gz QJKKQMZVBXKQJN-GFCCVEGCSA-N 2 0 227.352 0.490 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000518180193 398282231 /nfs/dbraw/zinc/28/22/31/398282231.db2.gz LJMISSHBVYFSGL-GMTAPVOTSA-N 2 0 225.336 0.454 20 0 BCADRP [NH3+][C@@H](CNC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000418451180 192043183 /nfs/dbraw/zinc/04/31/83/192043183.db2.gz MQUDVDXGLTVLHX-LBPRGKRZSA-N 2 0 248.330 0.301 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)N[C@H](C)CC[NH3+] ZINC000418548480 192044155 /nfs/dbraw/zinc/04/41/55/192044155.db2.gz KQXVLMZRKOEWKO-LLVKDONJSA-N 2 0 244.383 0.707 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000418507511 192044482 /nfs/dbraw/zinc/04/44/82/192044482.db2.gz IUVSIGULGZEIDZ-SNVBAGLBSA-N 2 0 242.367 0.413 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC(=O)NCC2([NH3+])CCC2)C1 ZINC000418505831 192044922 /nfs/dbraw/zinc/04/49/22/192044922.db2.gz FFBRZHNSIJZACS-UWVGGRQHSA-N 2 0 240.351 0.437 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)NC2CC[NH2+]CC2)CC[NH2+]1 ZINC000630048478 361917094 /nfs/dbraw/zinc/91/70/94/361917094.db2.gz ZXWYCBKPYMCSAC-ONGXEEELSA-N 2 0 240.351 0.178 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NC2CC[NH2+]CC2)C1 ZINC000335464109 398288823 /nfs/dbraw/zinc/28/88/23/398288823.db2.gz HSZHRBRNAHHVIQ-GXSJLCMTSA-N 2 0 225.336 0.243 20 0 BCADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[NH+]2CCC1CC2 ZINC000335464331 398288995 /nfs/dbraw/zinc/28/89/95/398288995.db2.gz PQKLULLWKZDSDP-GXTWGEPZSA-N 2 0 249.358 0.293 20 0 BCADRP CC1CC[NH+](CCCC[NH2+]CCC(N)=O)CC1 ZINC000583989233 342830239 /nfs/dbraw/zinc/83/02/39/342830239.db2.gz MMZDKHABCMRKKH-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP COCCOCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000044694059 538990144 /nfs/dbraw/zinc/99/01/44/538990144.db2.gz KWWFCTSOTXKMLX-LBPRGKRZSA-N 2 0 244.379 0.969 20 0 BCADRP CCCN(C(=O)N[C@@H](C)CC[NH3+])[C@H]1CC[NH2+]C1 ZINC000418518708 192047022 /nfs/dbraw/zinc/04/70/22/192047022.db2.gz FUTWLKKXGAYSBO-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335628242 136241204 /nfs/dbraw/zinc/24/12/04/136241204.db2.gz ZEJFGJNAILEDNU-DTWKUNHWSA-N 2 0 213.325 0.180 20 0 BCADRP [NH3+]CC1(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000335628942 136241231 /nfs/dbraw/zinc/24/12/31/136241231.db2.gz SCHIALCKWUNVLC-PHIMTYICSA-N 2 0 209.337 0.552 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000417822535 398294747 /nfs/dbraw/zinc/29/47/47/398294747.db2.gz ITBUWXZUESZHGX-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCCn2cncn2)CC[N@@H+]1C ZINC000381756937 539007078 /nfs/dbraw/zinc/00/70/78/539007078.db2.gz GGWMMLGLFQDSCO-NWDGAFQWSA-N 2 0 237.351 0.741 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417817809 398293766 /nfs/dbraw/zinc/29/37/66/398293766.db2.gz ROOQWEVSLULDRQ-QWRGUYRKSA-N 2 0 244.383 0.753 20 0 BCADRP CC(C)[C@H](CO)C[NH2+][C@H](C)CCC[NH3+] ZINC000394044756 259324257 /nfs/dbraw/zinc/32/42/57/259324257.db2.gz VRUKULYCANBNNZ-MNOVXSKESA-N 2 0 202.342 0.968 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000566796266 323015031 /nfs/dbraw/zinc/01/50/31/323015031.db2.gz SJLDFFHILBHAKX-HSTDOPHLSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000418527593 192047472 /nfs/dbraw/zinc/04/74/72/192047472.db2.gz ONZWFDBSEJAWMR-VWYCJHECSA-N 2 0 242.367 0.635 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H](C)CC[NH3+] ZINC000418523377 192047679 /nfs/dbraw/zinc/04/76/79/192047679.db2.gz KHXMNLWZYVUZTQ-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP C[NH2+]C[C@@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000583994241 342855894 /nfs/dbraw/zinc/85/58/94/342855894.db2.gz SJFMRPNYHFRSLI-NSHDSACASA-N 2 0 213.369 0.916 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418533743 192049090 /nfs/dbraw/zinc/04/90/90/192049090.db2.gz WACODDPVKFBIIY-AEJSXWLSSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023807 342855219 /nfs/dbraw/zinc/85/52/19/342855219.db2.gz SZPAPAYGOCOIHD-KXUCPTDWSA-N 2 0 211.309 0.077 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC[C@H]1CCC[NH2+]C1 ZINC000335646862 136243898 /nfs/dbraw/zinc/24/38/98/136243898.db2.gz OWPJSGWXUXUHDW-QWRGUYRKSA-N 2 0 211.353 0.716 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000167340185 136245597 /nfs/dbraw/zinc/24/55/97/136245597.db2.gz BHULJQABRSTKKV-SCZZXKLOSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000167334675 136245795 /nfs/dbraw/zinc/24/57/95/136245795.db2.gz DTEFNRJWMPPQMY-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000418555902 192050449 /nfs/dbraw/zinc/05/04/49/192050449.db2.gz DXBJUJCWCZMLFC-MXWKQRLJSA-N 2 0 240.351 0.117 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)C[NH2+]C)CC1 ZINC000036135381 342893079 /nfs/dbraw/zinc/89/30/79/342893079.db2.gz NONUQNUDWZVPPA-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP C(C[NH+]1CCCCCC1)N1CC[NH2+]CC1 ZINC000020179783 398315604 /nfs/dbraw/zinc/31/56/04/398315604.db2.gz OZAUQQGGTUAPGG-UHFFFAOYSA-N 2 0 211.353 0.768 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418567849 192051387 /nfs/dbraw/zinc/05/13/87/192051387.db2.gz GSUCCLSWCNRXGJ-VHSXEESVSA-N 2 0 228.340 0.165 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418567883 192051465 /nfs/dbraw/zinc/05/14/65/192051465.db2.gz GVTOXASMNQTDSO-AXFHLTTASA-N 2 0 242.367 0.282 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H](C)C[NH3+] ZINC000418573078 192052347 /nfs/dbraw/zinc/05/23/47/192052347.db2.gz UBGVYBXIVAXOBR-LPEHRKFASA-N 2 0 228.340 0.245 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOCCO)[C@H](C)C1 ZINC000162314049 349638793 /nfs/dbraw/zinc/63/87/93/349638793.db2.gz OADRJXMSXKMKEU-OLZOCXBDSA-N 2 0 244.379 0.705 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000036999080 342915134 /nfs/dbraw/zinc/91/51/34/342915134.db2.gz PIRKIVSQAIRCTO-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]([NH3+])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000037042447 342916366 /nfs/dbraw/zinc/91/63/66/342916366.db2.gz HBDQHOXCIUHBQD-QMMMGPOBSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@H]1CN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000418579232 192052920 /nfs/dbraw/zinc/05/29/20/192052920.db2.gz JVQIDQZFSXVKSL-DCAQKATOSA-N 2 0 240.351 0.260 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000494649340 529417872 /nfs/dbraw/zinc/41/78/72/529417872.db2.gz MWSUXVFTWSHXQA-MXWKQRLJSA-N 2 0 229.368 0.994 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418587985 192053727 /nfs/dbraw/zinc/05/37/27/192053727.db2.gz HKILBIYLKISUCM-ONGXEEELSA-N 2 0 242.367 0.493 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@H](C)CCCC[NH3+] ZINC000418598086 192054002 /nfs/dbraw/zinc/05/40/02/192054002.db2.gz FWSXNFXMFQNTTH-GHMZBOCLSA-N 2 0 244.383 0.801 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000418602711 192054503 /nfs/dbraw/zinc/05/45/03/192054503.db2.gz NUXPSJBYMLRSAL-VWYCJHECSA-N 2 0 242.367 0.376 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000418602666 192054648 /nfs/dbraw/zinc/05/46/48/192054648.db2.gz NNPPBFGJQYYYHT-OUAUKWLOSA-N 2 0 242.367 0.376 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000011960923 346885226 /nfs/dbraw/zinc/88/52/26/346885226.db2.gz IRBLKUBDMHSQRS-JTQLQIEISA-N 2 0 215.341 0.428 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418595780 192055112 /nfs/dbraw/zinc/05/51/12/192055112.db2.gz XGIINKHWZLQRSF-ZDCRXTMVSA-N 2 0 240.351 0.387 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000037481445 342937995 /nfs/dbraw/zinc/93/79/95/342937995.db2.gz ODDDJQRLEZAEBL-NSHDSACASA-N 2 0 213.325 0.326 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CCC[NH2+]1 ZINC000037825143 398334753 /nfs/dbraw/zinc/33/47/53/398334753.db2.gz XBDYTIIJEZPVRQ-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H](CNC(=O)C1([NH3+])CCCC1)[NH+](C)C ZINC000038089348 398335912 /nfs/dbraw/zinc/33/59/12/398335912.db2.gz AMZJDGYNTCWKEY-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NC(C)(C)C[NH+](C)C ZINC000418607474 192056028 /nfs/dbraw/zinc/05/60/28/192056028.db2.gz WXPARZNMXVDQOA-SNVBAGLBSA-N 2 0 244.383 0.624 20 0 BCADRP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228073247 398340785 /nfs/dbraw/zinc/34/07/85/398340785.db2.gz RQYDUFDXBXIRNG-SDDRHHMPSA-N 2 0 241.379 0.912 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCSC2)CC1 ZINC000335596511 398341752 /nfs/dbraw/zinc/34/17/52/398341752.db2.gz UUKYZDGMEKAALR-LLVKDONJSA-N 2 0 244.404 0.928 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NCCC[NH2+]C2CC2)o1 ZINC000648202557 398344573 /nfs/dbraw/zinc/34/45/73/398344573.db2.gz PYXZCFUWUWCDJG-UHFFFAOYSA-N 2 0 237.303 0.610 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCCC[NH2+]C2CC2)C1 ZINC000648202522 398344578 /nfs/dbraw/zinc/34/45/78/398344578.db2.gz KCRYAMKOLOALGT-GHMZBOCLSA-N 2 0 239.363 0.762 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000418608790 192055733 /nfs/dbraw/zinc/05/57/33/192055733.db2.gz ZAZDHOKVJNOINI-VWYCJHECSA-N 2 0 242.367 0.363 20 0 BCADRP CSC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000580314450 346896802 /nfs/dbraw/zinc/89/68/02/346896802.db2.gz SQMSBNYJMSNCSP-JQWIXIFHSA-N 2 0 244.404 0.784 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000580312933 346896854 /nfs/dbraw/zinc/89/68/54/346896854.db2.gz PBDNUUOFFOUJLK-ZDCRXTMVSA-N 2 0 227.352 0.603 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418607052 192056220 /nfs/dbraw/zinc/05/62/20/192056220.db2.gz ZZBOVEUQDRGJFL-MNOVXSKESA-N 2 0 242.367 0.540 20 0 BCADRP C[C@@H]1C[NH+](CCC[N@@H+]2C[C@H](O)[C@@H](C)C2)C[C@@H]1O ZINC000351811819 136254474 /nfs/dbraw/zinc/25/44/74/136254474.db2.gz COSHRIQPSMBJMP-RNJOBUHISA-N 2 0 242.363 0.002 20 0 BCADRP C[C@@H]1C[NH+](CCC[N@H+]2C[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000351811820 136254606 /nfs/dbraw/zinc/25/46/06/136254606.db2.gz COSHRIQPSMBJMP-YVECIDJPSA-N 2 0 242.363 0.002 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000167487268 136258118 /nfs/dbraw/zinc/25/81/18/136258118.db2.gz BYAJVTYHQJETNV-QWRGUYRKSA-N 2 0 212.337 0.831 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000418619020 192057257 /nfs/dbraw/zinc/05/72/57/192057257.db2.gz OLXIJNNDMOJZSX-NSHDSACASA-N 2 0 242.367 0.317 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000418620298 192057307 /nfs/dbraw/zinc/05/73/07/192057307.db2.gz QISQFQKMXWHCDU-JTQLQIEISA-N 2 0 228.340 0.069 20 0 BCADRP [NH3+]CCOCCN(CC[NH3+])Cc1ccccc1 ZINC000357088133 187213274 /nfs/dbraw/zinc/21/32/74/187213274.db2.gz OEJOTELRUQPHND-UHFFFAOYSA-N 2 0 237.347 0.423 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CCC[NH+](C)C1 ZINC000357090794 187213311 /nfs/dbraw/zinc/21/33/11/187213311.db2.gz RXQBGVNADBJAQS-GFCCVEGCSA-N 3 0 229.368 0.235 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000357069904 187213934 /nfs/dbraw/zinc/21/39/34/187213934.db2.gz HXYSKWVNQITLBO-GFCCVEGCSA-N 2 0 238.335 0.495 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357319924 187214140 /nfs/dbraw/zinc/21/41/40/187214140.db2.gz YJUCRSIBSRLXBD-NQBHXWOUSA-N 2 0 241.379 0.829 20 0 BCADRP C[NH+](C)CCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418625608 192057621 /nfs/dbraw/zinc/05/76/21/192057621.db2.gz QRQFRUBEGGYXKW-NSHDSACASA-N 2 0 242.367 0.365 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000418625553 192057861 /nfs/dbraw/zinc/05/78/61/192057861.db2.gz JFLUZXSKCFCLJO-MXWKQRLJSA-N 2 0 242.367 0.363 20 0 BCADRP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000050464234 343022781 /nfs/dbraw/zinc/02/27/81/343022781.db2.gz FENWGVMGUKRURW-NEPJUHHUSA-N 2 0 239.363 0.666 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050465566 343022801 /nfs/dbraw/zinc/02/28/01/343022801.db2.gz AQSXZYOIFWFLTA-AEJSXWLSSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368687389 187220647 /nfs/dbraw/zinc/22/06/47/187220647.db2.gz KLTBYFYAYIRFAK-OUAUKWLOSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000309416889 259343516 /nfs/dbraw/zinc/34/35/16/259343516.db2.gz JIOCCLOXDXUSQF-XKNYDFJKSA-N 2 0 213.325 0.084 20 0 BCADRP CC[NH2+]CCCNC(=O)N1CCC[C@H]1C[NH2+]C ZINC000562812720 323031350 /nfs/dbraw/zinc/03/13/50/323031350.db2.gz QPFFBVFKRQXKFL-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](CO)C1 ZINC000309243422 259342723 /nfs/dbraw/zinc/34/27/23/259342723.db2.gz LHDDLKFHYCTJKE-VXGBXAGGSA-N 2 0 230.352 0.003 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000371223738 187222690 /nfs/dbraw/zinc/22/26/90/187222690.db2.gz RTBQHFASJFTTJP-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](CO)C2CCOCC2)C1 ZINC000521271324 259344325 /nfs/dbraw/zinc/34/43/25/259344325.db2.gz GDLZCHGTYUTKRP-UPJWGTAASA-N 2 0 242.363 0.633 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000376384113 187225561 /nfs/dbraw/zinc/22/55/61/187225561.db2.gz IUIVTQMBUFMHDV-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000038089246 343059075 /nfs/dbraw/zinc/05/90/75/343059075.db2.gz WPATXAAHLJOCHQ-IUCAKERBSA-N 2 0 201.314 0.036 20 0 BCADRP CN(CC[NH3+])C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418645920 192059144 /nfs/dbraw/zinc/05/91/44/192059144.db2.gz SAUGWFQIRFULBW-SNVBAGLBSA-N 2 0 242.367 0.365 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000576837847 365701022 /nfs/dbraw/zinc/70/10/22/365701022.db2.gz FQJQLBIZORJPEC-SNVBAGLBSA-N 2 0 240.351 0.213 20 0 BCADRP CC[C@@](C)([NH3+])c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000584880933 343081743 /nfs/dbraw/zinc/08/17/43/343081743.db2.gz BEKQRQFSQISPAF-WCBMZHEXSA-N 2 0 209.297 0.396 20 0 BCADRP CC[C@H](C(N)=O)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000082475127 362024666 /nfs/dbraw/zinc/02/46/66/362024666.db2.gz ITMADUDRDDMTJN-PSASIEDQSA-N 2 0 213.325 0.310 20 0 BCADRP CC[C@@H](C(N)=O)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000082475126 362024800 /nfs/dbraw/zinc/02/48/00/362024800.db2.gz ITMADUDRDDMTJN-SCZZXKLOSA-N 2 0 213.325 0.310 20 0 BCADRP CC(C)([NH3+])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236793442 343111196 /nfs/dbraw/zinc/11/11/96/343111196.db2.gz GNBLAWMPSWBIBJ-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H]([NH3+])C1)[C@H]([NH3+])c1ccccc1 ZINC000237553291 343147773 /nfs/dbraw/zinc/14/77/73/343147773.db2.gz WFNAPAKLWLVHNH-UHTWSYAYSA-N 2 0 247.342 0.882 20 0 BCADRP O=C(C[NH2+]CC1CC1)NCC1CC[NH2+]CC1 ZINC000120576649 343126873 /nfs/dbraw/zinc/12/68/73/343126873.db2.gz NSCMQFFUPAXXNN-UHFFFAOYSA-N 2 0 225.336 0.102 20 0 BCADRP C[NH2+]CCCC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237166606 343128601 /nfs/dbraw/zinc/12/86/01/343128601.db2.gz PSYIHMUMURNOFY-NSHDSACASA-N 2 0 227.352 0.492 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237197903 343128840 /nfs/dbraw/zinc/12/88/40/343128840.db2.gz ZYUXPOAKFFBACJ-GHMZBOCLSA-N 2 0 227.352 0.348 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000237206394 343131087 /nfs/dbraw/zinc/13/10/87/343131087.db2.gz UCPQPMNJTHUDSX-NSHDSACASA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000237295194 343132036 /nfs/dbraw/zinc/13/20/36/343132036.db2.gz YGURNYYKGSRVQT-ZJUUUORDSA-N 2 0 245.392 0.053 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000092956346 343150188 /nfs/dbraw/zinc/15/01/88/343150188.db2.gz KGDFTQXJXFQISV-SDDRHHMPSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000092133656 343153496 /nfs/dbraw/zinc/15/34/96/343153496.db2.gz MBZOAWUXRBZNFH-LLVKDONJSA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH+]1CCC(C[NH2+]Cc2cnnn2C)CC1 ZINC000121997744 343157567 /nfs/dbraw/zinc/15/75/67/343157567.db2.gz ROVOJOYKMYXWEM-UHFFFAOYSA-N 2 0 237.351 0.637 20 0 BCADRP C[C@@]1(C(=O)N2CCC([NH3+])CC2)CCCC[NH2+]1 ZINC000237482936 136272220 /nfs/dbraw/zinc/27/22/20/136272220.db2.gz PWCMMCZUGHUZLB-LBPRGKRZSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000123780946 343166179 /nfs/dbraw/zinc/16/61/79/343166179.db2.gz CQQHNKOIEZDVKS-JTQLQIEISA-N 2 0 222.336 0.979 20 0 BCADRP Cn1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000123988966 343166485 /nfs/dbraw/zinc/16/64/85/343166485.db2.gz NABWXTCTAMUICO-NSHDSACASA-N 2 0 222.336 0.981 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000237461876 136272257 /nfs/dbraw/zinc/27/22/57/136272257.db2.gz RPGYPQZQDMYSTG-WDEREUQCSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C1CC[NH2+]CC1 ZINC000237524553 136272280 /nfs/dbraw/zinc/27/22/80/136272280.db2.gz UAICEVMRSZRREL-CMPLNLGQSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH2+]CCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000576965790 365735904 /nfs/dbraw/zinc/73/59/04/365735904.db2.gz WJJBUAMGCNRYTM-SNVBAGLBSA-N 2 0 228.340 0.037 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)N(C)C ZINC000126877458 343171153 /nfs/dbraw/zinc/17/11/53/343171153.db2.gz ZQGMBXAAJMBCCZ-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CC[NH2+]C2CC2)CC[N@@H+]1C ZINC000157877107 343200056 /nfs/dbraw/zinc/20/00/56/343200056.db2.gz MVLGVVHFTDQNDO-PWSUYJOCSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@]2(C)CCC[NH2+]2)CC[N@@H+]1C ZINC000157891027 343200409 /nfs/dbraw/zinc/20/04/09/343200409.db2.gz ZZSZCJGJSKXNMZ-MDZLAQPJSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000161051226 343204161 /nfs/dbraw/zinc/20/41/61/343204161.db2.gz KOPSKGWPDGQQHV-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000161052952 343204215 /nfs/dbraw/zinc/20/42/15/343204215.db2.gz QNJKTHDAKKIXOG-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167498137 343209183 /nfs/dbraw/zinc/20/91/83/343209183.db2.gz JWRVXONYFBGRIC-IJLUTSLNSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@H](NC(=O)C[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000167909161 343209603 /nfs/dbraw/zinc/20/96/03/343209603.db2.gz WSQVIEBXQSTBSX-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCn1cccn1 ZINC000133594381 343190919 /nfs/dbraw/zinc/19/09/19/343190919.db2.gz QHQYNCHCJOGMSG-QWRGUYRKSA-N 2 0 208.309 0.695 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]([NH3+])CC(C)C ZINC000087471658 136281574 /nfs/dbraw/zinc/28/15/74/136281574.db2.gz UWDVFROQIOVKPG-JTQLQIEISA-N 2 0 215.341 0.428 20 0 BCADRP CC[C@@H](C)C[N@H+](C)C[C@@H]1CNCCO1 ZINC000043802189 488209045 /nfs/dbraw/zinc/20/90/45/488209045.db2.gz KZHZAYMJBSYDJT-MNOVXSKESA-N 2 0 200.326 0.953 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000131929754 343237079 /nfs/dbraw/zinc/23/70/79/343237079.db2.gz ISXLOEZLDVGXAL-GFCCVEGCSA-N 2 0 229.368 0.864 20 0 BCADRP Cn1nccc1CC[NH2+][C@@](C)(CN)C1CC1 ZINC000634687322 343240741 /nfs/dbraw/zinc/24/07/41/343240741.db2.gz GWHYBFSKVJIEJY-LBPRGKRZSA-N 2 0 222.336 0.680 20 0 BCADRP CC[NH+](CC)CCNC(=O)CC[NH2+]C ZINC000043599581 343241874 /nfs/dbraw/zinc/24/18/74/343241874.db2.gz HZXJQEGBFGGTIJ-UHFFFAOYSA-N 2 0 201.314 0.054 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688420 343246573 /nfs/dbraw/zinc/24/65/73/343246573.db2.gz RSGFUODKHTYDCE-TXEJJXNPSA-N 2 0 210.321 0.564 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688423 343246615 /nfs/dbraw/zinc/24/66/15/343246615.db2.gz RTDBMKXZFJLOEZ-UTUOFQBUSA-N 2 0 210.321 0.564 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000340083645 136286041 /nfs/dbraw/zinc/28/60/41/136286041.db2.gz VXDOFHJEADZHBY-HBNTYKKESA-N 2 0 227.352 0.333 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000569822393 323041843 /nfs/dbraw/zinc/04/18/43/323041843.db2.gz LDHYWNPSTBVLFK-GHMZBOCLSA-N 2 0 240.351 0.261 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H](C)CC[NH+](C)C ZINC000069839967 343292795 /nfs/dbraw/zinc/29/27/95/343292795.db2.gz DAKSSADKUQXULC-UWVGGRQHSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H](C)[NH+](C)C ZINC000069839630 343292855 /nfs/dbraw/zinc/29/28/55/343292855.db2.gz FVVCLOQAAGLVKV-RKDXNWHRSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCCCC[NH+](C)C ZINC000069840089 343292911 /nfs/dbraw/zinc/29/29/11/343292911.db2.gz OBYRNMDWDNYKOP-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(C)(C)C[NH3+] ZINC000335608312 136298361 /nfs/dbraw/zinc/29/83/61/136298361.db2.gz XVPLIEHGIUBFIB-BDAKNGLRSA-N 2 0 213.325 0.086 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC(C)(C)[NH3+] ZINC000131954383 343297443 /nfs/dbraw/zinc/29/74/43/343297443.db2.gz BKVMOQGCZIPXAU-UHFFFAOYSA-N 2 0 201.314 0.228 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000584047851 343306490 /nfs/dbraw/zinc/30/64/90/343306490.db2.gz JACIUFSIWATHGM-GUBZILKMSA-N 2 0 227.352 0.474 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NCCC[NH2+]C2CC2)C1 ZINC000584064137 343313142 /nfs/dbraw/zinc/31/31/42/343313142.db2.gz PUGQKCGSJGGZFK-CMPLNLGQSA-N 2 0 211.353 0.988 20 0 BCADRP CC[NH+]1CCC(NC(=O)CC2([NH3+])CC2)CC1 ZINC000398140293 488212358 /nfs/dbraw/zinc/21/23/58/488212358.db2.gz ZHDXPDMWAOMZIA-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335627408 136299596 /nfs/dbraw/zinc/29/95/96/136299596.db2.gz QXKPWKFHYBEUBX-SECBINFHSA-N 2 0 213.325 0.180 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000151364954 343367639 /nfs/dbraw/zinc/36/76/39/343367639.db2.gz AKUHEYWUWKIJOO-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCCCC[NH3+] ZINC000569843919 323042625 /nfs/dbraw/zinc/04/26/25/323042625.db2.gz ZOMBPAKULYZFDP-LBPRGKRZSA-N 2 0 235.331 0.850 20 0 BCADRP C[NH+]1CCC(C[NH2+]CC2(C)COC2)CC1 ZINC000070617356 343335433 /nfs/dbraw/zinc/33/54/33/343335433.db2.gz AZRWKLZRAKNEPU-UHFFFAOYSA-N 2 0 212.337 0.954 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335638493 136302861 /nfs/dbraw/zinc/30/28/61/136302861.db2.gz SIPVKEIWDLKHSY-YYJSSNLHSA-N 2 0 211.353 0.844 20 0 BCADRP O=C1C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)CN1C1CC1 ZINC000335649457 136304612 /nfs/dbraw/zinc/30/46/12/136304612.db2.gz NWEDMDNZVUWDNK-QWRGUYRKSA-N 2 0 237.347 0.481 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(C)(C)C[NH3+] ZINC000335608316 136298604 /nfs/dbraw/zinc/29/86/04/136298604.db2.gz XVPLIEHGIUBFIB-DTWKUNHWSA-N 2 0 213.325 0.086 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000335654061 136305951 /nfs/dbraw/zinc/30/59/51/136305951.db2.gz QVPQWFMNDFDHLF-GHMZBOCLSA-N 2 0 239.363 0.633 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000335654064 136306155 /nfs/dbraw/zinc/30/61/55/136306155.db2.gz QVPQWFMNDFDHLF-WDEREUQCSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C2([NH3+])CCC2)C1 ZINC000335656774 136306360 /nfs/dbraw/zinc/30/63/60/136306360.db2.gz PEXBYUWMDWTWQT-DTWKUNHWSA-N 2 0 211.309 0.254 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000335657947 136306972 /nfs/dbraw/zinc/30/69/72/136306972.db2.gz POSDGHNFPZHVBT-AOOOYVTPSA-N 2 0 223.320 0.030 20 0 BCADRP [NH3+]C1(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000335662877 136315492 /nfs/dbraw/zinc/31/54/92/136315492.db2.gz PMFPXDQLUQWAJY-MNOVXSKESA-N 2 0 237.347 0.326 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N(C)C2(C[NH3+])CCC2)CC[NH2+]1 ZINC000335663274 136316187 /nfs/dbraw/zinc/31/61/87/136316187.db2.gz UWVXGAKECNYNSM-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CC[NH3+] ZINC000132002847 343393064 /nfs/dbraw/zinc/39/30/64/343393064.db2.gz OGBYMOOWWXPKBX-VIFPVBQESA-N 2 0 201.314 0.167 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[C@H](C)[NH3+])C1 ZINC000569967371 323045980 /nfs/dbraw/zinc/04/59/80/323045980.db2.gz LMJVELRDXKKYEQ-SDDRHHMPSA-N 2 0 241.379 0.674 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)CC[NH3+])c1cccs1 ZINC000040827111 343410014 /nfs/dbraw/zinc/41/00/14/343410014.db2.gz FHVHAGOSMBSMGQ-VIFPVBQESA-N 2 0 241.360 0.816 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000151773177 343414984 /nfs/dbraw/zinc/41/49/84/343414984.db2.gz NKEPSQULFUMUJZ-GFCCVEGCSA-N 2 0 227.352 0.490 20 0 BCADRP [NH3+]C1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000335699076 136328247 /nfs/dbraw/zinc/32/82/47/136328247.db2.gz VLCWVGHRANDEOB-ZWNOBZJWSA-N 2 0 237.347 0.326 20 0 BCADRP C[NH2+]CCN(C)C(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000157077086 133479880 /nfs/dbraw/zinc/47/98/80/133479880.db2.gz ZICHGAHTCCHNPM-RYUDHWBXSA-N 2 0 241.379 0.690 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000335720856 136345677 /nfs/dbraw/zinc/34/56/77/136345677.db2.gz DEWUTTARSTVUEB-BDAKNGLRSA-N 2 0 237.303 0.738 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000418705553 192062774 /nfs/dbraw/zinc/06/27/74/192062774.db2.gz DWYJVXRAPYBJAV-OUAUKWLOSA-N 2 0 242.367 0.493 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418704308 192062948 /nfs/dbraw/zinc/06/29/48/192062948.db2.gz RISYXFJWGYMMDV-GARJFASQSA-N 2 0 242.367 0.506 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000418704407 192062975 /nfs/dbraw/zinc/06/29/75/192062975.db2.gz CSHGCOWRGAUMDL-VIFPVBQESA-N 2 0 230.356 0.350 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1coc(C[NH3+])c1 ZINC000335716416 136339399 /nfs/dbraw/zinc/33/93/99/136339399.db2.gz QJJXGURXLSDRRI-KWQFWETISA-N 2 0 237.303 0.466 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1coc(C[NH3+])c1 ZINC000335716417 136339501 /nfs/dbraw/zinc/33/95/01/136339501.db2.gz QJJXGURXLSDRRI-LDYMZIIASA-N 2 0 237.303 0.466 20 0 BCADRP CC(C)([NH3+])CN1CCC(OCCC[NH3+])CC1 ZINC000576992155 365745778 /nfs/dbraw/zinc/74/57/78/365745778.db2.gz GAJPIDKPLLMVPG-UHFFFAOYSA-N 2 0 229.368 0.554 20 0 BCADRP CC(=O)NCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000247968162 136373375 /nfs/dbraw/zinc/37/33/75/136373375.db2.gz IOCYJJCHHDZSMR-DMDPSCGWSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+]CC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000083907639 343509141 /nfs/dbraw/zinc/50/91/41/343509141.db2.gz AMHKZPRXLPKLLX-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP CCC[N@@H+]1CCCN(C(=O)C[NH2+]C)CC1 ZINC000083961273 343511635 /nfs/dbraw/zinc/51/16/35/343511635.db2.gz IRKFENKZKHFNDK-UHFFFAOYSA-N 2 0 213.325 0.150 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418704998 192063155 /nfs/dbraw/zinc/06/31/55/192063155.db2.gz DJPUOEVLNQUYSF-GHMZBOCLSA-N 2 0 242.367 0.555 20 0 BCADRP CSCCC[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000379948394 365760355 /nfs/dbraw/zinc/76/03/55/365760355.db2.gz DLTXQJAJMKSBNR-NSHDSACASA-N 2 0 232.393 0.784 20 0 BCADRP CC[C@@H]1CO[C@@H](C)CN1C[C@@H](O)C[N@H+](C)CC ZINC000310564997 343537890 /nfs/dbraw/zinc/53/78/90/343537890.db2.gz XCYLXCRGNZBMOJ-XQQFMLRXSA-N 2 0 244.379 0.798 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000580560674 365764115 /nfs/dbraw/zinc/76/41/15/365764115.db2.gz RTCKIRRXNWXCLE-YFKTTZPYSA-N 2 0 237.347 0.052 20 0 BCADRP C[C@H]([NH3+])c1ccc(C(=O)NCC[NH3+])cc1 ZINC000580561751 365766261 /nfs/dbraw/zinc/76/62/61/365766261.db2.gz TZJOABFDPMDYCR-QMMMGPOBSA-N 2 0 207.277 0.395 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NC(C)(C)C[NH+](C)C ZINC000418707893 192063432 /nfs/dbraw/zinc/06/34/32/192063432.db2.gz GSFCGHOYCDYKTQ-SECBINFHSA-N 2 0 230.356 0.363 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000577054755 365786825 /nfs/dbraw/zinc/78/68/25/365786825.db2.gz JCAKOZPROOMONX-WRWGMCAJSA-N 2 0 239.363 0.476 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000577047251 365788827 /nfs/dbraw/zinc/78/88/27/365788827.db2.gz MZCVDMQWJTUQIA-GARJFASQSA-N 2 0 225.336 0.195 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621619874 343676632 /nfs/dbraw/zinc/67/66/32/343676632.db2.gz IMWYHQYWTSRYCV-VXGBXAGGSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621620100 343676638 /nfs/dbraw/zinc/67/66/38/343676638.db2.gz QRUAKBYQVDENKI-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000049575493 187269871 /nfs/dbraw/zinc/26/98/71/187269871.db2.gz NQRPKESCGQSVMN-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)C[NH2+]C1CC1 ZINC000153924473 343706228 /nfs/dbraw/zinc/70/62/28/343706228.db2.gz WQDGIVWDGYJLKY-GFCCVEGCSA-N 2 0 227.352 0.618 20 0 BCADRP CCCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])[C@H]1CC[NH2+]C1 ZINC000418716975 192063925 /nfs/dbraw/zinc/06/39/25/192063925.db2.gz ZZJMJSOGJBZXMD-MXWKQRLJSA-N 2 0 242.367 0.506 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CO[C@H](C)C1 ZINC000402120597 349849925 /nfs/dbraw/zinc/84/99/25/349849925.db2.gz GRCVNCMDITYVMF-VWYCJHECSA-N 2 0 216.325 0.507 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CO[C@H](C)C1 ZINC000402120596 349850001 /nfs/dbraw/zinc/85/00/01/349850001.db2.gz GRCVNCMDITYVMF-OUAUKWLOSA-N 2 0 216.325 0.507 20 0 BCADRP CCCN(C(=O)NC[C@H]([NH3+])CC)[C@H]1CC[NH2+]C1 ZINC000418718589 192064641 /nfs/dbraw/zinc/06/46/41/192064641.db2.gz HSEYJYBCBSZUMA-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC[N@H+]1CC=CCC1 ZINC000418732558 192065033 /nfs/dbraw/zinc/06/50/33/192065033.db2.gz UUPDESOIXQKTHX-MNOVXSKESA-N 2 0 240.351 0.283 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621685784 343748873 /nfs/dbraw/zinc/74/88/73/343748873.db2.gz KGIAIAXLUMJZTG-ZWNOBZJWSA-N 2 0 239.363 0.844 20 0 BCADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Cn1ccnc1 ZINC000291559544 187348330 /nfs/dbraw/zinc/34/83/30/187348330.db2.gz WQXBCWZVZNEUSS-LLVKDONJSA-N 2 0 238.335 0.728 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000418731263 192065419 /nfs/dbraw/zinc/06/54/19/192065419.db2.gz PTDMTUFHDTXSRB-UTLUCORTSA-N 2 0 228.340 0.116 20 0 BCADRP C[NH+](C)CCNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418728985 192065437 /nfs/dbraw/zinc/06/54/37/192065437.db2.gz RJCLDUNUHTUXIP-QWRGUYRKSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@@H](C(=O)N(C)[C@H](C[NH3+])C1CC1)C1C[NH2+]C1 ZINC000577061531 365797955 /nfs/dbraw/zinc/79/79/55/365797955.db2.gz UNYIEDWHALQUOR-LDYMZIIASA-N 2 0 225.336 0.038 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000418735498 192066099 /nfs/dbraw/zinc/06/60/99/192066099.db2.gz SUVVTORZEQNKSB-DCAQKATOSA-N 2 0 242.367 0.493 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]([NH3+])CC ZINC000418739934 192066151 /nfs/dbraw/zinc/06/61/51/192066151.db2.gz ZIEVHMGMQBZNRX-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP O=C(CCC1CC[NH2+]CC1)N[C@@H]1CCC[NH2+]C1 ZINC000179768684 346996147 /nfs/dbraw/zinc/99/61/47/346996147.db2.gz XXKXGRYPICISRC-GFCCVEGCSA-N 2 0 239.363 0.634 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000621784312 343909055 /nfs/dbraw/zinc/90/90/55/343909055.db2.gz MXHMIKYVOSEVRB-UPJWGTAASA-N 3 0 223.364 0.799 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C2([NH3+])CCC2)CC[NH2+]1 ZINC000564450578 343938907 /nfs/dbraw/zinc/93/89/07/343938907.db2.gz WDLMBCSYKVVVPE-BDAKNGLRSA-N 2 0 211.309 0.125 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH2+]C1CC1 ZINC000037611996 488247722 /nfs/dbraw/zinc/24/77/22/488247722.db2.gz IWIZNMQYVKAHBV-GFCCVEGCSA-N 2 0 239.363 0.729 20 0 BCADRP CCC[C@@H](CCO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000634724048 343920742 /nfs/dbraw/zinc/92/07/42/343920742.db2.gz ITWNWEHSDIKFLJ-QWHCGFSZSA-N 2 0 244.379 0.584 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000393769667 343927017 /nfs/dbraw/zinc/92/70/17/343927017.db2.gz ITTXWHPDJAWRSW-KATARQTJSA-N 2 0 213.325 0.084 20 0 BCADRP c1c(C[C@@H]2CC[NH2+]C2)nnn1CC1CC[NH2+]CC1 ZINC000641233795 362285869 /nfs/dbraw/zinc/28/58/69/362285869.db2.gz ZAOPBPCOXXNZJE-LBPRGKRZSA-N 2 0 249.362 0.430 20 0 BCADRP CC(C)[C@H]([NH3+])c1cn(CC2CC[NH2+]CC2)nn1 ZINC000641233792 362286272 /nfs/dbraw/zinc/28/62/72/362286272.db2.gz YWIXIVYETUDOFX-LBPRGKRZSA-N 2 0 237.351 0.934 20 0 BCADRP [NH3+]C/C=C/CNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000641285247 362346106 /nfs/dbraw/zinc/34/61/06/362346106.db2.gz GLPSIQIUGCERAQ-PGLGOXFNSA-N 2 0 240.351 0.318 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CC[NH2+]C2)C1 ZINC000634733662 344113930 /nfs/dbraw/zinc/11/39/30/344113930.db2.gz KUVJJZGKXWLLLV-GHMZBOCLSA-N 2 0 211.353 0.716 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634742046 344163246 /nfs/dbraw/zinc/16/32/46/344163246.db2.gz XXVXLZVHUUUPQP-RTXFEEFZSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C1=CC[C@@H]([NH3+])C1)C2 ZINC000634741885 344163328 /nfs/dbraw/zinc/16/33/28/344163328.db2.gz RYOYQRVLXGGYGW-BNOWGMLFSA-N 2 0 249.358 0.492 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C[NH2+]C1CC1)C2 ZINC000634744423 344165355 /nfs/dbraw/zinc/16/53/55/344165355.db2.gz YCDGQLPOMWEEQT-BETUJISGSA-N 2 0 237.347 0.196 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000130408084 344136634 /nfs/dbraw/zinc/13/66/34/344136634.db2.gz WLMSIQPVHCKTBH-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000622044974 344229306 /nfs/dbraw/zinc/22/93/06/344229306.db2.gz YZDLLPWKMBKROS-GARJFASQSA-N 2 0 215.341 0.080 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)N(C)C ZINC000126878092 344186293 /nfs/dbraw/zinc/18/62/93/344186293.db2.gz ZQGMBXAAJMBCCZ-UWVGGRQHSA-N 2 0 213.325 0.134 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634749717 344192823 /nfs/dbraw/zinc/19/28/23/344192823.db2.gz CMONEXFCCACWER-RTXFEEFZSA-N 2 0 239.363 0.300 20 0 BCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)CCC[NH3+])C1 ZINC000634752397 344203618 /nfs/dbraw/zinc/20/36/18/344203618.db2.gz KUXUCQAWMDBZBA-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000634751956 344203797 /nfs/dbraw/zinc/20/37/97/344203797.db2.gz ASLFXRBCHWUGLP-MNOVXSKESA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752950 344205411 /nfs/dbraw/zinc/20/54/11/344205411.db2.gz VUZMOILIVFCIBN-QWRGUYRKSA-N 2 0 241.379 0.736 20 0 BCADRP CC(C)C[C@@H](CNC(=O)[C@H](C)[NH3+])[NH+](C)C ZINC000040831279 187289899 /nfs/dbraw/zinc/28/98/99/187289899.db2.gz MRYHWMRBNKOEGZ-UWVGGRQHSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000580324174 347039373 /nfs/dbraw/zinc/03/93/73/347039373.db2.gz FQTUHDUKTCDTCI-VIFPVBQESA-N 2 0 233.315 0.757 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000132008559 344249834 /nfs/dbraw/zinc/24/98/34/344249834.db2.gz XAPHNVWAYSPLNZ-VHSXEESVSA-N 2 0 215.341 0.556 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761965 344255385 /nfs/dbraw/zinc/25/53/85/344255385.db2.gz MYXAIHVBAJISEO-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634764048 344275681 /nfs/dbraw/zinc/27/56/81/344275681.db2.gz KEEURKMWJDAKMB-WDEREUQCSA-N 2 0 241.379 0.879 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634764046 344275772 /nfs/dbraw/zinc/27/57/72/344275772.db2.gz KEEURKMWJDAKMB-MNOVXSKESA-N 2 0 241.379 0.879 20 0 BCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000634763919 344276084 /nfs/dbraw/zinc/27/60/84/344276084.db2.gz HDSZDFODBOQGIC-JTQLQIEISA-N 2 0 239.363 0.762 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634765096 344276122 /nfs/dbraw/zinc/27/61/22/344276122.db2.gz JZPSPVYDRYAXFH-GHMZBOCLSA-N 2 0 241.379 0.879 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634765099 344276258 /nfs/dbraw/zinc/27/62/58/344276258.db2.gz JZPSPVYDRYAXFH-WDEREUQCSA-N 2 0 241.379 0.879 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634765097 344276267 /nfs/dbraw/zinc/27/62/67/344276267.db2.gz JZPSPVYDRYAXFH-MNOVXSKESA-N 2 0 241.379 0.879 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634764385 344276701 /nfs/dbraw/zinc/27/67/01/344276701.db2.gz RRZWHDWBJRBVPR-UWVGGRQHSA-N 2 0 227.352 0.489 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768277 344280191 /nfs/dbraw/zinc/28/01/91/344280191.db2.gz DFDPSQFTWFKATK-XNDJQWLSSA-N 2 0 225.336 0.228 20 0 BCADRP O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000634768330 344280653 /nfs/dbraw/zinc/28/06/53/344280653.db2.gz FJRZWGRJORVWMX-OXHZDVMGSA-N 2 0 249.358 0.244 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000634770010 344283841 /nfs/dbraw/zinc/28/38/41/344283841.db2.gz WIWHZEZYGCDXAO-MDZLAQPJSA-N 2 0 235.331 0.292 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000092135501 344289089 /nfs/dbraw/zinc/28/90/89/344289089.db2.gz GPOUDBXQDYUDGZ-RYUDHWBXSA-N 2 0 241.379 0.688 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCN2CCOCC2)C1 ZINC000093210370 344311856 /nfs/dbraw/zinc/31/18/56/344311856.db2.gz GMVHTLIHGMCHSR-OLZOCXBDSA-N 2 0 241.379 0.568 20 0 BCADRP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000093215013 344312411 /nfs/dbraw/zinc/31/24/11/344312411.db2.gz UOGJVLGEQJWQCA-GRYCIOLGSA-N 2 0 239.363 0.857 20 0 BCADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)[C@@H]1C ZINC000600715026 344365650 /nfs/dbraw/zinc/36/56/50/344365650.db2.gz XDIDNJGTCLNWHS-WRWGMCAJSA-N 2 0 240.347 0.916 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000131816912 344334843 /nfs/dbraw/zinc/33/48/43/344334843.db2.gz PDHUKMGMZRCBOD-SNVBAGLBSA-N 2 0 247.408 0.571 20 0 BCADRP COC(=O)CC1(C[N@H+](C)CCOCC[NH3+])CC1 ZINC000600740045 344366618 /nfs/dbraw/zinc/36/66/18/344366618.db2.gz GPMFMJHWNKAFDB-UHFFFAOYSA-N 2 0 244.335 0.237 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000131853488 344354802 /nfs/dbraw/zinc/35/48/02/344354802.db2.gz UEILGERIDDSBIL-PHIMTYICSA-N 2 0 227.352 0.583 20 0 BCADRP COC(=O)CCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000600706304 344360328 /nfs/dbraw/zinc/36/03/28/344360328.db2.gz UEZKHXYKBLCNQS-GHMZBOCLSA-N 2 0 228.336 0.999 20 0 BCADRP C[C@H](C(=O)NCC[C@H]1CCC[NH2+]C1)C1C[NH2+]C1 ZINC000584290245 344424879 /nfs/dbraw/zinc/42/48/79/344424879.db2.gz NOSANBXMOFMOIS-WDEREUQCSA-N 2 0 239.363 0.348 20 0 BCADRP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000582122921 344425375 /nfs/dbraw/zinc/42/53/75/344425375.db2.gz QRUSLXBAWZADBS-UPJWGTAASA-N 3 0 223.364 0.527 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000584290777 344425380 /nfs/dbraw/zinc/42/53/80/344425380.db2.gz GAUOPNZXXOVGCP-LBPRGKRZSA-N 2 0 233.315 0.757 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000584290776 344425555 /nfs/dbraw/zinc/42/55/55/344425555.db2.gz GAUOPNZXXOVGCP-GFCCVEGCSA-N 2 0 233.315 0.757 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000132372014 344426035 /nfs/dbraw/zinc/42/60/35/344426035.db2.gz TVJWARDFUDZDHC-BBBLOLIVSA-N 2 0 211.309 0.064 20 0 BCADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000107368985 347050423 /nfs/dbraw/zinc/05/04/23/347050423.db2.gz CATKFOYMADXSHM-CYBMUJFWSA-N 2 0 241.379 0.345 20 0 BCADRP c1nc(NC2CC[NH2+]CC2)c2c(n1)NCCO2 ZINC000634807560 344392016 /nfs/dbraw/zinc/39/20/16/344392016.db2.gz SIRXQMFOCRAJFU-UHFFFAOYSA-N 2 0 235.291 0.445 20 0 BCADRP C[C@@H]1CN(c2ncnc3c2OCCN3)CC[NH2+]1 ZINC000634807308 344392375 /nfs/dbraw/zinc/39/23/75/344392375.db2.gz GIUNENAGIMPKRJ-MRVPVSSYSA-N 2 0 235.291 0.079 20 0 BCADRP [NH3+][C@@H]1CCCN(c2ncnc3c2OCCN3)C1 ZINC000634807701 344392562 /nfs/dbraw/zinc/39/25/62/344392562.db2.gz XVSXHMUQANDPES-MRVPVSSYSA-N 2 0 235.291 0.208 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC000041679611 344439734 /nfs/dbraw/zinc/43/97/34/344439734.db2.gz LPNYPHSUEITYNT-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)[NH3+] ZINC000041680093 344439781 /nfs/dbraw/zinc/43/97/81/344439781.db2.gz ULNXCUDPGFQXMN-RKDXNWHRSA-N 2 0 201.314 0.180 20 0 BCADRP COC[C@H](C)[N@H+](C)CC1CC[NH2+]CC1 ZINC000042519554 344457143 /nfs/dbraw/zinc/45/71/43/344457143.db2.gz LGAHHTZNBZUHNR-JTQLQIEISA-N 2 0 200.326 0.953 20 0 BCADRP c1c(CN2C[C@H]3C[NH2+]C[C@H]3C2)nc2ccccn12 ZINC000107579166 344484554 /nfs/dbraw/zinc/48/45/54/344484554.db2.gz ZYYLHAFHUKSDPY-TXEJJXNPSA-N 2 0 242.326 0.986 20 0 BCADRP C[C@H]1CN(C(=O)C(C)(C)C[NH3+])CC[C@H]1[NH3+] ZINC000381241944 344488189 /nfs/dbraw/zinc/48/81/89/344488189.db2.gz NHPDZCFBINOAEZ-DTWKUNHWSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@@H]([NH3+])CCc1nc(C2([NH3+])CCC2)no1 ZINC000381273112 344495971 /nfs/dbraw/zinc/49/59/71/344495971.db2.gz WCWRCOYAYSEEFP-SSDOTTSWSA-N 2 0 210.281 0.687 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+](C)CC1 ZINC000037267564 344496953 /nfs/dbraw/zinc/49/69/53/344496953.db2.gz VFNJVGBUVYPZET-KOLCDFICSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]CCCC(=O)NCCC[NH2+]C(C)C ZINC000381508644 344514724 /nfs/dbraw/zinc/51/47/24/344514724.db2.gz UWACQLTWBNVSJD-UHFFFAOYSA-N 2 0 215.341 0.490 20 0 BCADRP CC[C@@H](C[NH2+]C[C@@H](O)CN(C)C1CC1)OC ZINC000381540098 344517601 /nfs/dbraw/zinc/51/76/01/344517601.db2.gz IIBHURLRDQRBEM-NEPJUHHUSA-N 2 0 230.352 0.456 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC[NH2+]CC1 ZINC000042354461 187291514 /nfs/dbraw/zinc/29/15/14/187291514.db2.gz IDIXRXPZQOTWOK-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000573844003 344532445 /nfs/dbraw/zinc/53/24/45/344532445.db2.gz GZLCZXVVOVASLJ-DCAQKATOSA-N 2 0 241.379 0.864 20 0 BCADRP CC[NH+](CC)CCCNC(=O)C[NH2+]CC1CC1 ZINC000037611970 344552399 /nfs/dbraw/zinc/55/23/99/344552399.db2.gz JBRLKGRMGIOGIL-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000045108030 344559067 /nfs/dbraw/zinc/55/90/67/344559067.db2.gz RYAYFKUXFLWRLW-UWVGGRQHSA-N 2 0 215.341 0.284 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC([NH+](C)C)CC1 ZINC000068079606 133524514 /nfs/dbraw/zinc/52/45/14/133524514.db2.gz SWYVKVOCDDRMEW-UHFFFAOYSA-N 2 0 241.379 0.881 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000309834010 259377952 /nfs/dbraw/zinc/37/79/52/259377952.db2.gz ZLNREVROHMXUPI-ZYUZMQFOSA-N 2 0 213.325 0.226 20 0 BCADRP COC(=O)CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152479944 344577409 /nfs/dbraw/zinc/57/74/09/344577409.db2.gz CXLDDGXHCIOEDH-LLVKDONJSA-N 2 0 228.336 0.823 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000641426986 362410858 /nfs/dbraw/zinc/41/08/58/362410858.db2.gz WZZWSMVJFVTOQT-GMTAPVOTSA-N 2 0 242.367 0.398 20 0 BCADRP C[C@H]([NH3+])CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000641426675 362411052 /nfs/dbraw/zinc/41/10/52/362411052.db2.gz VOVQRFXHVHPAGW-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC[C@@H](C)[NH3+] ZINC000641425949 362412769 /nfs/dbraw/zinc/41/27/69/362412769.db2.gz QZZMPQHUESBCFV-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C[NH2+]C1CC1 ZINC000309426961 347059654 /nfs/dbraw/zinc/05/96/54/347059654.db2.gz KLGBQOKYNLBZCJ-RKDXNWHRSA-N 2 0 211.309 0.077 20 0 BCADRP [NH3+]CCC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000052815639 344669045 /nfs/dbraw/zinc/66/90/45/344669045.db2.gz ADAWLJAQHSMEHO-UHFFFAOYSA-N 2 0 235.335 0.338 20 0 BCADRP C[C@@]([NH3+])(C(=O)NCCC[NH3+])c1ccccc1 ZINC000052882708 344682244 /nfs/dbraw/zinc/68/22/44/344682244.db2.gz BULPLCLGTBFELQ-LBPRGKRZSA-N 2 0 221.304 0.326 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)c2ccnc(C[NH3+])c2)CC[NH2+]1 ZINC000574276163 344730455 /nfs/dbraw/zinc/73/04/55/344730455.db2.gz KWKGBWZVGBFQSQ-ONGXEEELSA-N 2 0 248.330 0.411 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C1(C[NH3+])CCCC1 ZINC000309463243 347069044 /nfs/dbraw/zinc/06/90/44/347069044.db2.gz PIDDSSHFAUQEAH-VIFPVBQESA-N 2 0 213.325 0.359 20 0 BCADRP CSC[C@@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000400002398 344747986 /nfs/dbraw/zinc/74/79/86/344747986.db2.gz OTELLIVHXZNOCG-JTQLQIEISA-N 2 0 218.366 0.789 20 0 BCADRP C[C@H](CNC(=O)NCC[NH+](C)C)[N@H+](C)C1CC1 ZINC000133622134 344770701 /nfs/dbraw/zinc/77/07/01/344770701.db2.gz VVAXUYHAKMTTDK-SNVBAGLBSA-N 2 0 242.367 0.330 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000309475408 347070646 /nfs/dbraw/zinc/07/06/46/347070646.db2.gz BTFVHQLRLCYVKK-JTQLQIEISA-N 2 0 213.325 0.243 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000370798439 187292531 /nfs/dbraw/zinc/29/25/31/187292531.db2.gz NVCMBTQMNIVZHF-MWLCHTKSSA-N 2 0 231.315 0.178 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NCCC[NH+](C)C ZINC000044794763 187292729 /nfs/dbraw/zinc/29/27/29/187292729.db2.gz VDKPDIROKIVAFF-JTQLQIEISA-N 2 0 215.341 0.285 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000562980815 323077818 /nfs/dbraw/zinc/07/78/18/323077818.db2.gz LBWYNVBBDXESGU-ZCFIWIBFSA-N 2 0 241.257 0.367 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000583379797 344854949 /nfs/dbraw/zinc/85/49/49/344854949.db2.gz QPAGMAVSCORYRC-NHCYSSNCSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000583382212 344858870 /nfs/dbraw/zinc/85/88/70/344858870.db2.gz PFTPNOGAMRYMJE-NQBHXWOUSA-N 2 0 239.363 0.490 20 0 BCADRP CC[NH+](CC)CCC[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000248980768 537869545 /nfs/dbraw/zinc/86/95/45/537869545.db2.gz FPABELPOAZCBPY-OLZOCXBDSA-N 2 0 246.395 0.782 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000583390909 344876153 /nfs/dbraw/zinc/87/61/53/344876153.db2.gz FEHCTBZIIMCCFR-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)[NH3+] ZINC000237079348 187294356 /nfs/dbraw/zinc/29/43/56/187294356.db2.gz VYTJXGFPPFXUSD-SNVBAGLBSA-N 2 0 227.352 0.524 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000582127378 344898019 /nfs/dbraw/zinc/89/80/19/344898019.db2.gz SZSFOLLGMNJICO-UTUOFQBUSA-N 2 0 230.352 0.314 20 0 BCADRP Cc1cc(CNC[C@]2(O)CC[N@@H+](C)C2)on1 ZINC000631113502 344923057 /nfs/dbraw/zinc/92/30/57/344923057.db2.gz YQSLXGHAZHHEDD-LLVKDONJSA-N 2 0 225.292 0.139 20 0 BCADRP CCOC[C@@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C ZINC000583435725 344953552 /nfs/dbraw/zinc/95/35/52/344953552.db2.gz BANBDQXLCUTXEV-RYUDHWBXSA-N 2 0 246.395 0.950 20 0 BCADRP COC[C@H](CO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000234820340 537877055 /nfs/dbraw/zinc/87/70/55/537877055.db2.gz OTSAFYPQXCVRRA-JQWIXIFHSA-N 2 0 230.352 0.314 20 0 BCADRP Cc1nn(C)cc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000228328928 187298619 /nfs/dbraw/zinc/29/86/19/187298619.db2.gz WFLKKKJHFAYEMH-KOLCDFICSA-N 2 0 222.336 0.898 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000154396113 345030938 /nfs/dbraw/zinc/03/09/38/345030938.db2.gz XDIHQQKFEGDROS-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000155244370 345074754 /nfs/dbraw/zinc/07/47/54/345074754.db2.gz WRPIPQOIKSHWJE-BJDJZHNGSA-N 2 0 241.379 0.946 20 0 BCADRP CCc1nccn1CC(=O)NCCC[NH+](C)C ZINC000155334713 345077712 /nfs/dbraw/zinc/07/77/12/345077712.db2.gz PUEKHJDEAANCRW-UHFFFAOYSA-N 2 0 238.335 0.513 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCNC(=O)C1CC1 ZINC000155428577 345081202 /nfs/dbraw/zinc/08/12/02/345081202.db2.gz OFIMMJQPHCFYLI-PWSUYJOCSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000044428435 345061872 /nfs/dbraw/zinc/06/18/72/345061872.db2.gz PKPAKTWPIZXGLS-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000044428437 345061977 /nfs/dbraw/zinc/06/19/77/345061977.db2.gz PKPAKTWPIZXGLS-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](COC)C1 ZINC000310450672 259382623 /nfs/dbraw/zinc/38/26/23/259382623.db2.gz XZFLKYSYKCIEOX-QWHCGFSZSA-N 2 0 244.379 0.657 20 0 BCADRP CC[C@@H]1CN(CC23CC(C2)C[NH2+]3)CC[C@@H]1[NH3+] ZINC000634990871 345173213 /nfs/dbraw/zinc/17/32/13/345173213.db2.gz GKXCDNJTFJRIIN-QBHFIFKDSA-N 2 0 223.364 0.798 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634990831 345173509 /nfs/dbraw/zinc/17/35/09/345173509.db2.gz FEQCKHWVNPYOSQ-IGJPJIBNSA-N 2 0 223.364 0.798 20 0 BCADRP CC(C)[C@@H](C[NH3+])C[NH+]1CCC(C[NH3+])CC1 ZINC000634991111 345173942 /nfs/dbraw/zinc/17/39/42/345173942.db2.gz QDUJUSCYTFSGKN-LBPRGKRZSA-N 3 0 213.369 0.888 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2CN(CC34CC(C3)C[NH2+]4)C[C@H]21 ZINC000634991691 345178279 /nfs/dbraw/zinc/17/82/79/345178279.db2.gz OBWPURSSIWWJQS-XLICRZQSSA-N 2 0 235.375 0.798 20 0 BCADRP C[C@@H]1CN(CC23CC(C2)C[NH2+]3)[C@@H](C)C[NH2+]1 ZINC000634994813 345182780 /nfs/dbraw/zinc/18/27/80/345182780.db2.gz NLQZOJAPAUDETE-QKEWWQLBSA-N 2 0 209.337 0.421 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000634994982 345183512 /nfs/dbraw/zinc/18/35/12/345183512.db2.gz RKVUFJCNWBJHQH-XQQFMLRXSA-N 2 0 225.380 0.901 20 0 BCADRP CC(C)[C@@H](C[NH3+])C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000634995230 345184187 /nfs/dbraw/zinc/18/41/87/345184187.db2.gz YNFUHJNBDDTBRT-QWHCGFSZSA-N 3 0 225.380 0.903 20 0 BCADRP [NH3+]CC1(CN[C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000634995333 345184418 /nfs/dbraw/zinc/18/44/18/345184418.db2.gz AXYJPDGUNCBUML-LLVKDONJSA-N 3 0 223.364 0.990 20 0 BCADRP CC(C)[C@@H](C[NH3+])C[NH2+][C@H](C)CCC[NH3+] ZINC000634995383 345184449 /nfs/dbraw/zinc/18/44/49/345184449.db2.gz CFUDIZNZAHUSBL-MNOVXSKESA-N 2 0 201.358 0.934 20 0 BCADRP [NH3+]CC1(CN[C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000634995334 345184482 /nfs/dbraw/zinc/18/44/82/345184482.db2.gz AXYJPDGUNCBUML-NSHDSACASA-N 3 0 223.364 0.990 20 0 BCADRP CC(C)[C@H](C[NH3+])CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000634995374 345184499 /nfs/dbraw/zinc/18/44/99/345184499.db2.gz CDVXRNONTAVGPL-IJLUTSLNSA-N 3 0 213.369 0.947 20 0 BCADRP CC(C)[C@@H](C[NH3+])C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000634995477 345185087 /nfs/dbraw/zinc/18/50/87/345185087.db2.gz GGZGGJMGDPQNNK-RYUDHWBXSA-N 3 0 225.380 0.949 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN[C@H]1CCC[NH2+]CC1 ZINC000634995482 345185151 /nfs/dbraw/zinc/18/51/51/345185151.db2.gz GKQYHFPLRCYZPI-RYUDHWBXSA-N 2 0 213.369 0.949 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN[C@@H](C)C[C@H](C)[NH3+] ZINC000634996921 345186767 /nfs/dbraw/zinc/18/67/67/345186767.db2.gz YYCINICNEMFQFU-DCAQKATOSA-N 2 0 201.358 0.933 20 0 BCADRP CC(C)[C@H](C[NH3+])C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000634996091 345186776 /nfs/dbraw/zinc/18/67/76/345186776.db2.gz ZDRCMUVDMSDUPI-TUAOUCFPSA-N 3 0 213.369 0.934 20 0 BCADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634952047 345128322 /nfs/dbraw/zinc/12/83/22/345128322.db2.gz NUYZUDNNGVTQBL-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP CCN(CC[NH2+][C@@H]1CCNC(=O)CC1)C1CC1 ZINC000634958598 345132598 /nfs/dbraw/zinc/13/25/98/345132598.db2.gz UVHSARQOUYFZRI-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H](C[NH2+][C@@H]1CCNC(=O)CC1)N(C)C1CC1 ZINC000634959794 345132872 /nfs/dbraw/zinc/13/28/72/345132872.db2.gz BBWIBZCZTIWODA-QWRGUYRKSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]1CCN(CC23CC(C2)C[NH2+]3)C[C@@H]1C[NH3+] ZINC000634996419 345187665 /nfs/dbraw/zinc/18/76/65/345187665.db2.gz JEHPQETZDLBUPS-QCXCNERSSA-N 2 0 223.364 0.655 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634992938 345188131 /nfs/dbraw/zinc/18/81/31/345188131.db2.gz GOHIDCBADZYLSB-HIFPTAJRSA-N 2 0 223.364 0.622 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000310483932 259383210 /nfs/dbraw/zinc/38/32/10/259383210.db2.gz DNZRNGMKVKKVCT-WOPDTQHZSA-N 2 0 244.379 0.702 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN1CC[C@@](C)(C[NH3+])C1 ZINC000634993622 345191189 /nfs/dbraw/zinc/19/11/89/345191189.db2.gz ACCDODDUUNSYHZ-RYUDHWBXSA-N 3 0 213.369 0.888 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000381281850 345228004 /nfs/dbraw/zinc/22/80/04/345228004.db2.gz YLESWGDAKNNQDB-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP C[C@@H]1CN(CC23CC(C2)C[NH2+]3)[C@@H](C)C[N@@H+]1C ZINC000634994213 345192574 /nfs/dbraw/zinc/19/25/74/345192574.db2.gz VWOFQFXFBXWPOL-IALDZJHCSA-N 2 0 223.364 0.763 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000634994332 345193379 /nfs/dbraw/zinc/19/33/79/345193379.db2.gz ZLCIBMJFNQRSMX-UPJWGTAASA-N 2 0 225.380 0.901 20 0 BCADRP [NH3+]CC1(CC[NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000634996734 345193500 /nfs/dbraw/zinc/19/35/00/345193500.db2.gz SSZAHEHZXNWSIC-UHFFFAOYSA-N 3 0 209.337 0.457 20 0 BCADRP CN1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000600964994 345196351 /nfs/dbraw/zinc/19/63/51/345196351.db2.gz BUXIDIJNOXTXKF-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP COC[C@H](C)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634998411 345198040 /nfs/dbraw/zinc/19/80/40/345198040.db2.gz FKUJQKFNCOZWIW-GMTAPVOTSA-N 2 0 200.326 0.796 20 0 BCADRP C[C@H]1C[C@H](CN2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000635001610 345201832 /nfs/dbraw/zinc/20/18/32/345201832.db2.gz AQJUFRZBJFVUMR-QNWHQSFQSA-N 2 0 223.364 0.811 20 0 BCADRP [NH3+][C@@H]1CCCCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634997906 345202594 /nfs/dbraw/zinc/20/25/94/345202594.db2.gz VUZJEMMRCFKJTM-OTTFEQOBSA-N 2 0 223.364 0.942 20 0 BCADRP C[C@@H]1CCC[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000139807371 345202675 /nfs/dbraw/zinc/20/26/75/345202675.db2.gz NZVDIKIWCPQKKQ-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000449065093 201802719 /nfs/dbraw/zinc/80/27/19/201802719.db2.gz XPDGFRDXZROKAQ-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000635003162 345205475 /nfs/dbraw/zinc/20/54/75/345205475.db2.gz AFHFFIILBQQHJO-BJDJZHNGSA-N 3 0 211.353 0.973 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004025 345207043 /nfs/dbraw/zinc/20/70/43/345207043.db2.gz GRBKWYLIAMUVMY-AVGNSLFASA-N 3 0 243.395 0.847 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010501 345213042 /nfs/dbraw/zinc/21/30/42/345213042.db2.gz MSMAMCPWNVVGGA-JTQLQIEISA-N 2 0 247.342 0.686 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[NH2+]C[C@H]1C ZINC000449087199 201805967 /nfs/dbraw/zinc/80/59/67/201805967.db2.gz UWUNMEDNKMICIF-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000130529656 345277618 /nfs/dbraw/zinc/27/76/18/345277618.db2.gz NOBNJLNNGAMAKA-OUAUKWLOSA-N 2 0 227.352 0.713 20 0 BCADRP CC(C)[N@H+](C)CCCNC(=O)[C@@H](C)[NH+](C)C ZINC000635272092 345292318 /nfs/dbraw/zinc/29/23/18/345292318.db2.gz VOJZEURMVHHAKT-LLVKDONJSA-N 2 0 229.368 0.783 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000158529166 345345557 /nfs/dbraw/zinc/34/55/57/345345557.db2.gz KQCMRFTWAQBPCZ-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000158693829 345364170 /nfs/dbraw/zinc/36/41/70/345364170.db2.gz KUMQAUPQSMGDDG-NHCYSSNCSA-N 2 0 243.326 0.322 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000449105357 201809694 /nfs/dbraw/zinc/80/96/94/201809694.db2.gz YOFNABFNORNZLR-IJLUTSLNSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+]Cc1ccccc1NC(=O)[C@H](C)[NH3+] ZINC000381334848 345375424 /nfs/dbraw/zinc/37/54/24/345375424.db2.gz VIXYOGWWKOVFNY-QMMMGPOBSA-N 2 0 207.277 0.692 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000158879376 345383571 /nfs/dbraw/zinc/38/35/71/345383571.db2.gz HAMQOTOGNLLLBM-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000449141195 201818298 /nfs/dbraw/zinc/81/82/98/201818298.db2.gz PJGFFDCOLODZOZ-JTQLQIEISA-N 2 0 229.368 0.818 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635486564 345394656 /nfs/dbraw/zinc/39/46/56/345394656.db2.gz BZWCGJHCAHWQJR-GFCCVEGCSA-N 2 0 241.379 0.879 20 0 BCADRP COC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000068891765 349930018 /nfs/dbraw/zinc/93/00/18/349930018.db2.gz AQKKJQGYFTXIMQ-ZYHUDNBSSA-N 2 0 228.336 0.068 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[NH+](C)C ZINC000635538213 345506441 /nfs/dbraw/zinc/50/64/41/345506441.db2.gz IZSGPIXOEIMBKT-PWSUYJOCSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000378795080 345572843 /nfs/dbraw/zinc/57/28/43/345572843.db2.gz RWPYICWEDJPXIE-LPEHRKFASA-N 2 0 213.325 0.357 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[C@@H](CO)C[C@H]1C ZINC000626121737 345518088 /nfs/dbraw/zinc/51/80/88/345518088.db2.gz SEJIBRGVXXPONE-UPJWGTAASA-N 2 0 244.379 0.392 20 0 BCADRP C[C@H](C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2)[NH+](C)C ZINC000635549196 345602101 /nfs/dbraw/zinc/60/21/01/345602101.db2.gz DOHJSAQVZNWVIT-ZYHUDNBSSA-N 2 0 239.363 0.489 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC(C[NH3+])CC1 ZINC000563107124 323092752 /nfs/dbraw/zinc/09/27/52/323092752.db2.gz ZRGVHVURRDKLJU-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000111824641 345691036 /nfs/dbraw/zinc/69/10/36/345691036.db2.gz NEYRBIOJBOJAAJ-IJLUTSLNSA-N 2 0 211.353 0.668 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC([NH3+])CC1 ZINC000212971367 345740324 /nfs/dbraw/zinc/74/03/24/345740324.db2.gz PTPOPCUJPMSHDW-SECBINFHSA-N 2 0 213.325 0.310 20 0 BCADRP C[NH+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635559517 345748592 /nfs/dbraw/zinc/74/85/92/345748592.db2.gz SSOAYFGCCSUVIR-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635559515 345748626 /nfs/dbraw/zinc/74/86/26/345748626.db2.gz SSOAYFGCCSUVIR-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP Cc1nn(C)c(C)c1CCN[C@H]1CCC[NH2+]C1 ZINC000563135597 323094780 /nfs/dbraw/zinc/09/47/80/323094780.db2.gz NVXIHQOQGBUESV-LBPRGKRZSA-N 2 0 236.363 0.921 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635559551 345760561 /nfs/dbraw/zinc/76/05/61/345760561.db2.gz TWTIINYJDPEKGC-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP [NH3+]CCN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000563153586 323095881 /nfs/dbraw/zinc/09/58/81/323095881.db2.gz BWTHRYJHBNHWMT-RYUDHWBXSA-N 2 0 227.352 0.163 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCC(C[NH3+])CC1 ZINC000309500183 347088120 /nfs/dbraw/zinc/08/81/20/347088120.db2.gz USGGIXKEPUKCGM-SECBINFHSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000635605980 345889573 /nfs/dbraw/zinc/88/95/73/345889573.db2.gz GHEKWEWLIBUUKE-MXWKQRLJSA-N 2 0 227.352 0.535 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000635605977 345889940 /nfs/dbraw/zinc/88/99/40/345889940.db2.gz GHEKWEWLIBUUKE-AXFHLTTASA-N 2 0 227.352 0.535 20 0 BCADRP C[C@H](C(=O)N(C)CCCC[NH+](C)C)[NH+](C)C ZINC000635583073 345879386 /nfs/dbraw/zinc/87/93/86/345879386.db2.gz FCTVAXULNAPSQV-LLVKDONJSA-N 2 0 229.368 0.737 20 0 BCADRP C[C@H]([NH2+]CCCC(=O)N(C)C)[C@H]1CCCC[NH2+]1 ZINC000390330402 259386447 /nfs/dbraw/zinc/38/64/47/259386447.db2.gz HKEGGKRYFDJALB-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178869270 345918705 /nfs/dbraw/zinc/91/87/05/345918705.db2.gz MJRXFNRHXRKATE-PWSUYJOCSA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NCC1=CC[NH2+]CC1 ZINC000186284631 345964271 /nfs/dbraw/zinc/96/42/71/345964271.db2.gz HEXAWVFSQPZMKY-SNVBAGLBSA-N 2 0 225.336 0.396 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635807565 346072876 /nfs/dbraw/zinc/07/28/76/346072876.db2.gz NVZNBNRCAFSEQJ-NEPJUHHUSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H](C(=O)N(C)CC[N@H+](C)C1CC1)[NH+](C)C ZINC000635811712 346074727 /nfs/dbraw/zinc/07/47/27/346074727.db2.gz HOMBBCXTVJFFND-SNVBAGLBSA-N 2 0 227.352 0.489 20 0 BCADRP C[C@H](C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[NH+](C)C ZINC000635992381 346142990 /nfs/dbraw/zinc/14/29/90/346142990.db2.gz RXBIOPUIJKVPPN-OUAUKWLOSA-N 2 0 225.336 0.099 20 0 BCADRP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH+](C)C ZINC000635953862 346123280 /nfs/dbraw/zinc/12/32/80/346123280.db2.gz NTDHQWDUTMNAEL-NWDGAFQWSA-N 2 0 241.379 0.642 20 0 BCADRP C[C@H](C(=O)NC(C)(C)C[NH+](C)C)[NH+](C)C ZINC000636013233 346154553 /nfs/dbraw/zinc/15/45/53/346154553.db2.gz VSPLBYPYYPGDKO-SECBINFHSA-N 2 0 215.341 0.393 20 0 BCADRP C[C@H]1CCC[C@@](CNC(N)=[NH2+])([NH+](C)C)C1 ZINC000052020233 346234338 /nfs/dbraw/zinc/23/43/38/346234338.db2.gz VUOLADOUNZMGAY-GXSJLCMTSA-N 2 0 212.341 0.980 20 0 BCADRP Cn1nccc1CC[N@H+](C)C1CC([NH3+])C1 ZINC000384734449 537960207 /nfs/dbraw/zinc/96/02/07/537960207.db2.gz KMAJALSXZFLSFS-UHFFFAOYSA-N 2 0 208.309 0.384 20 0 BCADRP C[C@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000636140770 346331918 /nfs/dbraw/zinc/33/19/18/346331918.db2.gz YQXBUKCXLZQUFE-MXWKQRLJSA-N 2 0 227.352 0.393 20 0 BCADRP CCCN(C(=O)[C@@H](C)[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000636063799 346308089 /nfs/dbraw/zinc/30/80/89/346308089.db2.gz RPJRSNXCAMUFIS-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336374081 187367893 /nfs/dbraw/zinc/36/78/93/187367893.db2.gz ZEUUCFWOENTPEN-OLZOCXBDSA-N 3 0 223.364 0.527 20 0 BCADRP C[C@@]1(C(=O)NCC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000574911397 346409758 /nfs/dbraw/zinc/40/97/58/346409758.db2.gz RNYCRFXDLYXKPJ-GFCCVEGCSA-N 2 0 225.336 0.102 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000574906536 346408449 /nfs/dbraw/zinc/40/84/49/346408449.db2.gz PKNYVXXCHMFUHQ-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP CCOC(C)(C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000159342485 346418127 /nfs/dbraw/zinc/41/81/27/346418127.db2.gz NPHNDFAFTMFHLP-LBPRGKRZSA-N 2 0 244.379 0.848 20 0 BCADRP C[C@H]1CC[N@H+](CCc2cncn2C)C[C@H]1C[NH3+] ZINC000641797959 362737854 /nfs/dbraw/zinc/73/78/54/362737854.db2.gz AXXRPFLJMCBUHV-NWDGAFQWSA-N 3 0 236.363 0.879 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747622 535047387 /nfs/dbraw/zinc/04/73/87/535047387.db2.gz ZMFWBDKVVOZVFT-LBPRGKRZSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000641798021 362738696 /nfs/dbraw/zinc/73/86/96/362738696.db2.gz CCRQDIXUTXERSO-GHMZBOCLSA-N 2 0 208.309 0.812 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000334226332 535048579 /nfs/dbraw/zinc/04/85/79/535048579.db2.gz MXPJSZPODUXPTJ-NSHDSACASA-N 2 0 239.363 0.572 20 0 BCADRP Cn1cncc1CC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000641799212 362746666 /nfs/dbraw/zinc/74/66/66/362746666.db2.gz OIKRABUMOOEKPC-GFCCVEGCSA-N 2 0 222.336 0.633 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@H+](CCc2cncn2C)C1 ZINC000641796971 362741629 /nfs/dbraw/zinc/74/16/29/362741629.db2.gz OCLOSVIZJYOGKO-GFCCVEGCSA-N 2 0 236.363 0.894 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000580072525 346508882 /nfs/dbraw/zinc/50/88/82/346508882.db2.gz MNNMJEABXUIPDH-MXWKQRLJSA-N 2 0 225.336 0.385 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000580071857 346511937 /nfs/dbraw/zinc/51/19/37/346511937.db2.gz OVUSLKQSLXIHOG-MWLCHTKSSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000580071649 346512065 /nfs/dbraw/zinc/51/20/65/346512065.db2.gz CWEBNHADGWVMTA-JTQLQIEISA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H](C)C[NH3+] ZINC000380032437 365816509 /nfs/dbraw/zinc/81/65/09/365816509.db2.gz QRBXQYZPXHJMLP-VIFPVBQESA-N 2 0 201.314 0.086 20 0 BCADRP CC(C)(C)NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000070188210 349966432 /nfs/dbraw/zinc/96/64/32/349966432.db2.gz CPOBJIWSGGIVEF-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000641802302 362759751 /nfs/dbraw/zinc/75/97/51/362759751.db2.gz IYIAIEVNFGOEAF-TUAOUCFPSA-N 2 0 242.363 0.897 20 0 BCADRP [NH3+][C@@H](C(=O)NCC1=CC[NH2+]CC1)c1ccccc1 ZINC000186328143 346501690 /nfs/dbraw/zinc/50/16/90/346501690.db2.gz IYYZBVUYXCTRIF-CYBMUJFWSA-N 2 0 245.326 0.722 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N(C)CCC[NH+](C)C ZINC000580112268 346538110 /nfs/dbraw/zinc/53/81/10/346538110.db2.gz GTDYXOUCHYGYGA-NSHDSACASA-N 2 0 244.383 0.530 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186868940 346541630 /nfs/dbraw/zinc/54/16/30/346541630.db2.gz KOGRTRQZDRGLRK-KXUCPTDWSA-N 2 0 245.392 0.181 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186868905 346541664 /nfs/dbraw/zinc/54/16/64/346541664.db2.gz KOGRTRQZDRGLRK-UTLUCORTSA-N 2 0 245.392 0.181 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@](C)(O)CC1 ZINC000380157927 346583036 /nfs/dbraw/zinc/58/30/36/346583036.db2.gz KFYVXZHHJDJQBD-OLZOCXBDSA-N 2 0 244.379 0.536 20 0 BCADRP Cc1cccc(N2CCC[N@H+](CCO)CC2)n1 ZINC000071349609 179122576 /nfs/dbraw/zinc/12/25/76/179122576.db2.gz HVQQACOHFZRUQS-UHFFFAOYSA-N 2 0 235.331 0.894 20 0 BCADRP COC[C@@H](C)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000187673237 346596913 /nfs/dbraw/zinc/59/69/13/346596913.db2.gz NYYHMTGNYWMRPX-ZDUSSCGKSA-N 2 0 244.379 0.971 20 0 BCADRP C[NH2+]CCCC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000580201562 346658389 /nfs/dbraw/zinc/65/83/89/346658389.db2.gz UGDJQKGDOZSKGH-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000178596023 346702883 /nfs/dbraw/zinc/70/28/83/346702883.db2.gz JECJCFRWAYQDTB-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC(C[NH3+])CC1 ZINC000390560784 259393557 /nfs/dbraw/zinc/39/35/57/259393557.db2.gz RXBRKXKIVTUIKY-VIFPVBQESA-N 2 0 213.325 0.039 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000580647094 365843061 /nfs/dbraw/zinc/84/30/61/365843061.db2.gz NOUVDYBKICYROV-MFKMUULPSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]CCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000580209128 346676066 /nfs/dbraw/zinc/67/60/66/346676066.db2.gz HFFAFXZQKGXALD-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)COC1CCC([NH3+])CC1 ZINC000577177162 365859186 /nfs/dbraw/zinc/85/91/86/365859186.db2.gz IHVSFQRGIGHIFJ-WHXUTIOJSA-N 2 0 243.351 0.126 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@@H]2[C@H]3COC[C@H]32)CC1 ZINC000309622375 347123418 /nfs/dbraw/zinc/12/34/18/347123418.db2.gz FRDHLTQWJRNVSZ-XYYAHUGASA-N 2 0 224.348 0.953 20 0 BCADRP C[C@@H](CCNC(=O)C[NH+](C)C)[NH+]1CCCCC1 ZINC000182917012 347111494 /nfs/dbraw/zinc/11/14/94/347111494.db2.gz ZMFOGKOSADCUFV-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@]1(CN2C[C@@H]3CCC[C@]3([NH3+])C2)CC[NH2+]C1 ZINC000622003576 370654572 /nfs/dbraw/zinc/65/45/72/370654572.db2.gz BXUUITCPGKAGGY-AVGNSLFASA-N 2 0 223.364 0.799 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000577178658 365860023 /nfs/dbraw/zinc/86/00/23/365860023.db2.gz LYXCZQOKCDDFIN-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1CC[N@H+](CC(C)(C)[NH3+])C[C@H]1CO ZINC000622003593 370653983 /nfs/dbraw/zinc/65/39/83/370653983.db2.gz BZPDBNPLRXYQQT-UWVGGRQHSA-N 2 0 200.326 0.674 20 0 BCADRP CC[C@@H](C)NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000070188304 349975600 /nfs/dbraw/zinc/97/56/00/349975600.db2.gz ATXRUDWQZRISCK-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CCc1cn[nH]c1 ZINC000641819918 362771213 /nfs/dbraw/zinc/77/12/13/362771213.db2.gz IDWGIFTWYXABCX-UHFFFAOYSA-N 2 0 226.324 0.120 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000309807262 347173472 /nfs/dbraw/zinc/17/34/72/347173472.db2.gz SMOHWOJCLLHUIW-ZJUUUORDSA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)CC[C@H](C)[NH3+] ZINC000309819564 347175290 /nfs/dbraw/zinc/17/52/90/347175290.db2.gz VZZUVPBMANJTHB-JTQLQIEISA-N 2 0 215.341 0.618 20 0 BCADRP C[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H](C)[NH3+] ZINC000641941750 362807455 /nfs/dbraw/zinc/80/74/55/362807455.db2.gz JJHNKAZDGJDZRV-ZRUFSTJUSA-N 2 0 240.351 0.258 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH2+]CC1 ZINC000082280615 347328133 /nfs/dbraw/zinc/32/81/33/347328133.db2.gz PFALQVDNDCYUIE-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000019489208 347331367 /nfs/dbraw/zinc/33/13/67/347331367.db2.gz KPMUVJNSBHJSJD-JTQLQIEISA-N 2 0 215.341 0.428 20 0 BCADRP Cc1ncc(C[NH2+]C[C@@H]2COCCN2C)n1C ZINC000623713723 347342469 /nfs/dbraw/zinc/34/24/69/347342469.db2.gz HTXKUCVBYTZHOC-GFCCVEGCSA-N 2 0 238.335 0.149 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000449493295 201942434 /nfs/dbraw/zinc/94/24/34/201942434.db2.gz LDEXJPKPBMREIT-DBIOUOCHSA-N 2 0 225.336 0.099 20 0 BCADRP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252750703 347371491 /nfs/dbraw/zinc/37/14/91/347371491.db2.gz BEEYTMJNBZCQHP-SRVKXCTJSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000582120890 347391300 /nfs/dbraw/zinc/39/13/00/347391300.db2.gz XGMWBTQYPMJSCX-NNYUYHANSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000582120888 347391400 /nfs/dbraw/zinc/39/14/00/347391400.db2.gz XGMWBTQYPMJSCX-BJDJZHNGSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)C1(C[NH3+])CCCC1 ZINC000582121615 347392248 /nfs/dbraw/zinc/39/22/48/347392248.db2.gz XKVJMBROJFTUSH-SNVBAGLBSA-N 2 0 227.352 0.749 20 0 BCADRP C[C@H]([NH3+])Cc1nc(C2([NH3+])CCCC2)no1 ZINC000390667652 347421211 /nfs/dbraw/zinc/42/12/11/347421211.db2.gz UQAAEAOHRHEWDR-ZETCQYMHSA-N 2 0 210.281 0.687 20 0 BCADRP C[NH+](C)CCC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000396650937 362827634 /nfs/dbraw/zinc/82/76/34/362827634.db2.gz KFUHXFZSOQJAKI-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP CN1CCC[C@@H]([NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000396753678 362832861 /nfs/dbraw/zinc/83/28/61/362832861.db2.gz YGVVIFDEGWYCJB-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH+]1CCC(NC(=O)C2([NH3+])CCC2)CC1 ZINC000088050283 362841482 /nfs/dbraw/zinc/84/14/82/362841482.db2.gz BLHYHJVRMFJDQS-UHFFFAOYSA-N 2 0 211.309 0.078 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000571560558 323147861 /nfs/dbraw/zinc/14/78/61/323147861.db2.gz NWIARLIWAIJXQA-JGVFFNPUSA-N 2 0 235.278 0.179 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@@H]([NH3+])C(C)C ZINC000380112322 365889472 /nfs/dbraw/zinc/88/94/72/365889472.db2.gz ONMOUNNJPFMMTR-SECBINFHSA-N 2 0 201.314 0.086 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000571641036 323150539 /nfs/dbraw/zinc/15/05/39/323150539.db2.gz YUQUSJFBTRAZQR-BBBLOLIVSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000571653501 323151202 /nfs/dbraw/zinc/15/12/02/323151202.db2.gz SMSOIYZMAKFGPP-KXUCPTDWSA-N 2 0 225.336 0.465 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000591453049 347664214 /nfs/dbraw/zinc/66/42/14/347664214.db2.gz SDSPXZPHVNYQBJ-NSHDSACASA-N 2 0 227.352 0.395 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000591442530 347662129 /nfs/dbraw/zinc/66/21/29/347662129.db2.gz QYKCTVBINHTXBO-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP CO[C@@H]1CCN(C[C@@H]([NH3+])CC(C)C)[C@@H](C[NH3+])C1 ZINC000414654298 323150955 /nfs/dbraw/zinc/15/09/55/323150955.db2.gz BWESESFZYWEJJL-YNEHKIRRSA-N 2 0 243.395 0.798 20 0 BCADRP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591457873 347665156 /nfs/dbraw/zinc/66/51/56/347665156.db2.gz KMNXOPRXBKJOLJ-GFCCVEGCSA-N 2 0 239.363 0.492 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000592336454 347768403 /nfs/dbraw/zinc/76/84/03/347768403.db2.gz AMNSGPKHYBJIMQ-NXEZZACHSA-N 2 0 247.408 0.701 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@@H](C)C[NH3+])CC1 ZINC000054342415 347768484 /nfs/dbraw/zinc/76/84/84/347768484.db2.gz CJGOVULVUHOMIN-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP COC(=O)[C@H](C)N1CC[C@@](C)(C[NH3+])C1 ZINC000308519874 347774301 /nfs/dbraw/zinc/77/43/01/347774301.db2.gz XGSAMHFZQZMGRJ-WPRPVWTQSA-N 2 0 200.282 0.219 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC1CCC(C[NH3+])CC1 ZINC000343606843 133694779 /nfs/dbraw/zinc/69/47/79/133694779.db2.gz IYBQYBWVCCCBCL-QYNFOATHSA-N 2 0 241.379 0.851 20 0 BCADRP CO[C@@H](C)C[NH+]1CCN(c2ncc[nH]2)CC1 ZINC000577289701 365918792 /nfs/dbraw/zinc/91/87/92/365918792.db2.gz GXMKJJVMAYRMRF-JTQLQIEISA-N 2 0 224.308 0.567 20 0 BCADRP COC(=O)[C@@H](C)C[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000592493352 347787556 /nfs/dbraw/zinc/78/75/56/347787556.db2.gz OZUBRMZEAPTCOX-VHSXEESVSA-N 2 0 214.309 0.337 20 0 BCADRP COC[C@](C)(CC(=O)OC)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000592495828 347788219 /nfs/dbraw/zinc/78/82/19/347788219.db2.gz RARKSZLWADDTQP-PWSUYJOCSA-N 2 0 244.335 0.154 20 0 BCADRP COC[C@@](C)(CC(=O)OC)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000592495826 347788489 /nfs/dbraw/zinc/78/84/89/347788489.db2.gz RARKSZLWADDTQP-CMPLNLGQSA-N 2 0 244.335 0.154 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000343650280 133701033 /nfs/dbraw/zinc/70/10/33/133701033.db2.gz XDYMHCZMZWMJNE-MXWKQRLJSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000577367535 365935118 /nfs/dbraw/zinc/93/51/18/365935118.db2.gz SJZKGAGQTIQTKO-GDPRMGEGSA-N 2 0 225.336 0.180 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000577373215 365936627 /nfs/dbraw/zinc/93/66/27/365936627.db2.gz DOXKNRYUTZEHKF-UHFFFAOYSA-N 2 0 241.379 0.867 20 0 BCADRP CC[NH+](CC)CC[C@H](CO)[NH2+]CC1(O)CCC1 ZINC000577373476 365937409 /nfs/dbraw/zinc/93/74/09/365937409.db2.gz SGQALBMMDCTANR-GFCCVEGCSA-N 2 0 244.379 0.584 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669586473 490111548 /nfs/dbraw/zinc/11/15/48/490111548.db2.gz OOODLEOUSXKHOU-WDEREUQCSA-N 2 0 242.367 0.378 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000296570212 179325136 /nfs/dbraw/zinc/32/51/36/179325136.db2.gz VYSVGSRSPOEGLM-WCQYABFASA-N 2 0 247.342 0.863 20 0 BCADRP C[C@@H](CNC(=O)CCC[NH3+])C[NH+]1CCCCC1 ZINC000038042272 348038054 /nfs/dbraw/zinc/03/80/54/348038054.db2.gz CWEZRVXYDVZKIJ-LBPRGKRZSA-N 2 0 241.379 0.964 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@H]([NH3+])C1 ZINC000294779862 179342218 /nfs/dbraw/zinc/34/22/18/179342218.db2.gz NRKYTYQWHWOKJK-AAEUAGOBSA-N 2 0 247.342 0.945 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000038098246 348052943 /nfs/dbraw/zinc/05/29/43/348052943.db2.gz FBLGJJJWSDRWKT-LBPRGKRZSA-N 2 0 239.363 0.729 20 0 BCADRP CC1(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000594739274 348110370 /nfs/dbraw/zinc/11/03/70/348110370.db2.gz RTSVUFXSEBIEIC-VHSXEESVSA-N 2 0 223.320 0.030 20 0 BCADRP [NH3+]CCSCc1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000594655574 348092667 /nfs/dbraw/zinc/09/26/67/348092667.db2.gz HYJUKDPRWJGBKK-SNVBAGLBSA-N 2 0 241.364 0.395 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000449556474 201965632 /nfs/dbraw/zinc/96/56/32/201965632.db2.gz NGIJDPOWQONDHY-WISYIIOYSA-N 2 0 239.363 0.428 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449557514 201966825 /nfs/dbraw/zinc/96/68/25/201966825.db2.gz UUQZLIDCNMOISJ-YTWAJWBKSA-N 2 0 239.363 0.345 20 0 BCADRP C[NH+](C)CCC[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000595139831 348198383 /nfs/dbraw/zinc/19/83/83/348198383.db2.gz ZPWRNHQHKKSVJO-NSHDSACASA-N 2 0 237.351 0.466 20 0 BCADRP C[C@@H](CNC(=O)[C@H]([NH3+])CC(F)F)[NH+]1CCCC1 ZINC000383341375 348347701 /nfs/dbraw/zinc/34/77/01/348347701.db2.gz KQQPHOGUBWVMKQ-DTWKUNHWSA-N 2 0 249.305 0.569 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)C(C)(C)[NH3+] ZINC000309010431 323184217 /nfs/dbraw/zinc/18/42/17/323184217.db2.gz RQIZLAIEOPGMFP-QMMMGPOBSA-N 2 0 201.314 0.357 20 0 BCADRP CC[C@](C)(C[NH2+]CC1(O)CC[NH+](C)CC1)OC ZINC000397552339 362893329 /nfs/dbraw/zinc/89/33/29/362893329.db2.gz YDTQFNBOZKFBJX-GFCCVEGCSA-N 2 0 244.379 0.848 20 0 BCADRP COC(=O)[C@H]1C[C@@H]([N@H+](C)CC[C@H]2CC[NH2+]C2)C1 ZINC000595904772 348396562 /nfs/dbraw/zinc/39/65/62/348396562.db2.gz KQVBBTGXJLOTMH-UTUOFQBUSA-N 2 0 240.347 0.869 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000345787544 535075352 /nfs/dbraw/zinc/07/53/52/535075352.db2.gz ISASQLQYULDVFB-WZRBSPASSA-N 2 0 241.379 0.994 20 0 BCADRP CC[NH+]1CCC(CNC(=O)CC[C@@H](C)[NH3+])CC1 ZINC000070317846 349993524 /nfs/dbraw/zinc/99/35/24/349993524.db2.gz QZFQTNTVSZRGME-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+]CCCNC(=O)C1(C[NH3+])CCCC1 ZINC000121119019 348461186 /nfs/dbraw/zinc/46/11/86/348461186.db2.gz YJAMTZSJPKHBAE-UHFFFAOYSA-N 2 0 213.325 0.231 20 0 BCADRP CSCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000596649163 348605101 /nfs/dbraw/zinc/60/51/01/348605101.db2.gz CCUJGDJJJHABJX-LPEHRKFASA-N 2 0 218.366 0.691 20 0 BCADRP COC(=O)C1(C[NH2+]Cc2cnc(C)n2C)CC1 ZINC000597086383 348656045 /nfs/dbraw/zinc/65/60/45/348656045.db2.gz OGCKYDVPJLIPSQ-UHFFFAOYSA-N 2 0 237.303 0.771 20 0 BCADRP C[N@H+](C[C@@H]1CCCC[C@@H]1O)C1CC([NH3+])C1 ZINC000384812263 490191081 /nfs/dbraw/zinc/19/10/81/490191081.db2.gz CNLNLCKPYDOTJH-XKGSQUFQSA-N 2 0 212.337 0.959 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CC[C@@H](C)[NH3+] ZINC000308844651 348852651 /nfs/dbraw/zinc/85/26/51/348852651.db2.gz OTDZPWAJGUNVIT-BDAKNGLRSA-N 2 0 201.314 0.213 20 0 BCADRP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH2+]1 ZINC000404930913 362931950 /nfs/dbraw/zinc/93/19/50/362931950.db2.gz LUWUKVXBZNBWMS-GHMZBOCLSA-N 2 0 225.336 0.291 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCCCC[NH+](C)C ZINC000054076833 348880021 /nfs/dbraw/zinc/88/00/21/348880021.db2.gz FNBHAOIQLDYQQH-VIFPVBQESA-N 2 0 201.314 0.052 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H](C)[NH2+]C ZINC000054076848 348880028 /nfs/dbraw/zinc/88/00/28/348880028.db2.gz YNXZMHGBOKDAPV-JTQLQIEISA-N 2 0 215.341 0.395 20 0 BCADRP CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000216464601 350001546 /nfs/dbraw/zinc/00/15/46/350001546.db2.gz AJOBILXFWLAPCA-JTQLQIEISA-N 2 0 213.325 0.101 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000308866834 348979571 /nfs/dbraw/zinc/97/95/71/348979571.db2.gz XHEZZZMIIJVABO-DJLDLDEBSA-N 2 0 201.314 0.069 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000308866838 348979714 /nfs/dbraw/zinc/97/97/14/348979714.db2.gz XHEZZZMIIJVABO-HRDYMLBCSA-N 2 0 201.314 0.069 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]([NH3+])C(C)C ZINC000308885888 349024578 /nfs/dbraw/zinc/02/45/78/349024578.db2.gz VVRCORCGOJFGAP-VIFPVBQESA-N 2 0 201.314 0.086 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CC[NH2+]C1CC1 ZINC000563897064 323205465 /nfs/dbraw/zinc/20/54/65/323205465.db2.gz LKLFTXJIZWFXPR-GFCCVEGCSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H](C(=O)N(C)[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000078750357 490226340 /nfs/dbraw/zinc/22/63/40/490226340.db2.gz BQRXSRYVKLZASY-WDEREUQCSA-N 2 0 227.352 0.489 20 0 BCADRP O[C@@H]1CCN(CC[NH2+]C2CCCCC2)C1 ZINC000308912826 349066799 /nfs/dbraw/zinc/06/67/99/349066799.db2.gz YPKLOEIBLQYSCQ-GFCCVEGCSA-N 2 0 212.337 0.975 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000247313149 349116641 /nfs/dbraw/zinc/11/66/41/349116641.db2.gz RHUOPVYFGGCSNK-NHCYSSNCSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000248891695 349140835 /nfs/dbraw/zinc/14/08/35/349140835.db2.gz WIDDPOCPFOOLSR-GARJFASQSA-N 2 0 227.352 0.700 20 0 BCADRP [NH3+]CCCCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000250942901 349181060 /nfs/dbraw/zinc/18/10/60/349181060.db2.gz ZTVAPWMGPLXSBU-NWDGAFQWSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000248964186 349157512 /nfs/dbraw/zinc/15/75/12/349157512.db2.gz CHHWVCBVMPGAOD-GARJFASQSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H]1CN(C(=O)NC[C@H]2CCC[NH2+]2)[C@@H](C)C[NH2+]1 ZINC000333846347 538035879 /nfs/dbraw/zinc/03/58/79/538035879.db2.gz PELPJWOEVWWNQH-OUAUKWLOSA-N 2 0 240.351 0.130 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000252850249 349218607 /nfs/dbraw/zinc/21/86/07/349218607.db2.gz HMQSQMKLXQZWDF-SDDRHHMPSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](C)[NH3+] ZINC000252851468 349218983 /nfs/dbraw/zinc/21/89/83/349218983.db2.gz IBQUEOKFVAYRRW-KXNHARMFSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000396453150 538034820 /nfs/dbraw/zinc/03/48/20/538034820.db2.gz KSAPQFGJIOEMIJ-PWSUYJOCSA-N 3 0 211.353 0.668 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000252616025 349207397 /nfs/dbraw/zinc/20/73/97/349207397.db2.gz ZMTSMNAXMBASTK-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000309017834 349304770 /nfs/dbraw/zinc/30/47/70/349304770.db2.gz VIDFGUWHFNJAOM-SECBINFHSA-N 2 0 201.314 0.086 20 0 BCADRP CCOC(=O)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309028803 349313358 /nfs/dbraw/zinc/31/33/58/349313358.db2.gz CIUVUZFIYNIBJH-UWVGGRQHSA-N 2 0 212.293 0.091 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H](C)C[NH3+] ZINC000309022968 349316576 /nfs/dbraw/zinc/31/65/76/349316576.db2.gz YIXYMFAFEDKMGA-IUCAKERBSA-N 2 0 201.314 0.215 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]([NH3+])CC(F)F ZINC000309038866 349371321 /nfs/dbraw/zinc/37/13/21/349371321.db2.gz IIZOGWZIXZEMKW-SSDOTTSWSA-N 2 0 223.267 0.037 20 0 BCADRP CN(CC[NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000563093959 350009924 /nfs/dbraw/zinc/00/99/24/350009924.db2.gz YLVNNMQARORCEY-UHFFFAOYSA-N 2 0 236.319 0.245 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000070618880 350027260 /nfs/dbraw/zinc/02/72/60/350027260.db2.gz VZXHMSDIFUSFTC-JQWIXIFHSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000070619066 350027858 /nfs/dbraw/zinc/02/78/58/350027858.db2.gz KLHNYXJSDCVVFE-LBPRGKRZSA-N 2 0 227.352 0.585 20 0 BCADRP COCC[C@H](CO)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000300898431 349418633 /nfs/dbraw/zinc/41/86/33/349418633.db2.gz QPBUXUQZJBPZEJ-HBNTYKKESA-N 2 0 216.325 0.243 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NC(C)(C)CC[NH3+] ZINC000422614423 192430796 /nfs/dbraw/zinc/43/07/96/192430796.db2.gz YPQQMXHRDNUDRG-SNVBAGLBSA-N 2 0 244.383 0.931 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000563099923 350057478 /nfs/dbraw/zinc/05/74/78/350057478.db2.gz DLWOVEKUAPFCHD-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP CC[C@@H]1C[N@H+](CCC(=O)N(C)C)CC[C@H]1[NH3+] ZINC000251723017 538051965 /nfs/dbraw/zinc/05/19/65/538051965.db2.gz KBVOTZRKVWBDBI-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN1CCOCC1(C)C ZINC000422712282 192438784 /nfs/dbraw/zinc/43/87/84/192438784.db2.gz NUMWMEXKYOPOJN-RYUDHWBXSA-N 2 0 243.395 0.813 20 0 BCADRP CCC[C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000422728510 192444194 /nfs/dbraw/zinc/44/41/94/192444194.db2.gz JESOFHNZHHQDMH-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP CCC[C@H](C(=O)N1CC[C@H]([NH2+]C)C1)[NH+](C)C ZINC000422714034 192439443 /nfs/dbraw/zinc/43/94/43/192439443.db2.gz QLXIZUPYBYSFSP-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CC1(C[NH3+])CC1 ZINC000422733788 192446451 /nfs/dbraw/zinc/44/64/51/192446451.db2.gz RHPPJDVSXQGDPD-GHMZBOCLSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)[N@H+](C)C1CC1 ZINC000219942032 350151451 /nfs/dbraw/zinc/15/14/51/350151451.db2.gz IZCNMSMMYWSSIX-UWVGGRQHSA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334242400 538062031 /nfs/dbraw/zinc/06/20/31/538062031.db2.gz XKCYHARKZLFPSG-DGCLKSJQSA-N 2 0 239.363 0.572 20 0 BCADRP Cc1cnn(CC[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000304430401 350156652 /nfs/dbraw/zinc/15/66/52/350156652.db2.gz SQHXTHHTMCZOFX-NWDGAFQWSA-N 2 0 222.336 0.861 20 0 BCADRP Cc1cnn(CC[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000304430398 350156850 /nfs/dbraw/zinc/15/68/50/350156850.db2.gz SQHXTHHTMCZOFX-NEPJUHHUSA-N 2 0 222.336 0.861 20 0 BCADRP Cc1cnn(CC[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000304429909 350156962 /nfs/dbraw/zinc/15/69/62/350156962.db2.gz SMIUBQXZNUOJMO-LBPRGKRZSA-N 2 0 222.336 0.862 20 0 BCADRP Cc1cnn(CC[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000304456338 350160361 /nfs/dbraw/zinc/16/03/61/350160361.db2.gz YZSLGTRUXQAJSG-UHFFFAOYSA-N 2 0 222.336 0.875 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)C1C[NH2+]C1)[N@H+](C)C1CC1 ZINC000219942123 350151389 /nfs/dbraw/zinc/15/13/89/350151389.db2.gz IZCNMSMMYWSSIX-NXEZZACHSA-N 2 0 239.363 0.441 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC1=CC[NH2+]CC1 ZINC000427163034 191054949 /nfs/dbraw/zinc/05/49/49/191054949.db2.gz FBCPXQUYKNNXHL-UHFFFAOYSA-N 2 0 225.336 0.364 20 0 BCADRP CC(C)C[C@H](CNC(=O)C[NH3+])[NH+](C)C ZINC000040831250 191058613 /nfs/dbraw/zinc/05/86/13/191058613.db2.gz QIAUUQLQQLFWSS-SECBINFHSA-N 2 0 201.314 0.038 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000037484939 323284479 /nfs/dbraw/zinc/28/44/79/323284479.db2.gz JHIHEQYCMQKJAK-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CC(C)(C)[NH3+] ZINC000669511420 490397810 /nfs/dbraw/zinc/39/78/10/490397810.db2.gz CHBWDHCIHFIKSQ-LBPRGKRZSA-N 2 0 229.368 0.994 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000309258582 350243419 /nfs/dbraw/zinc/24/34/19/350243419.db2.gz HEJFREQJIHBRDP-UTLUCORTSA-N 2 0 213.325 0.165 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000309265520 350247100 /nfs/dbraw/zinc/24/71/00/350247100.db2.gz CAQZMSANJVSYAK-VHSXEESVSA-N 2 0 215.341 0.603 20 0 BCADRP C[C@H](CNC(=O)C[NH3+])C[NH+]1CCCCC1 ZINC000038042223 350303014 /nfs/dbraw/zinc/30/30/14/350303014.db2.gz SOFCBKDJPVLFIU-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000309351156 350324031 /nfs/dbraw/zinc/32/40/31/350324031.db2.gz NDEWQRFPSCWALH-SECBINFHSA-N 2 0 213.325 0.169 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H]1CCC[NH2+]1)[C@H](C)[NH3+] ZINC000422788747 192466201 /nfs/dbraw/zinc/46/62/01/192466201.db2.gz RJBNHDYSICVBQR-DCAQKATOSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C1CC[NH2+]CC1 ZINC000563161323 350346756 /nfs/dbraw/zinc/34/67/56/350346756.db2.gz XPYOWCUNCNBSMF-JTQLQIEISA-N 2 0 227.352 0.476 20 0 BCADRP CCC[NH+]1CCC([NH2+]C[C@H](O)COCC)CC1 ZINC000069278100 350352397 /nfs/dbraw/zinc/35/23/97/350352397.db2.gz FKACAMMWYGGVFZ-ZDUSSCGKSA-N 2 0 244.379 0.848 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000309368788 350354409 /nfs/dbraw/zinc/35/44/09/350354409.db2.gz BNZICBDLAOXSFS-KXUCPTDWSA-N 2 0 213.325 0.215 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000309373076 350362019 /nfs/dbraw/zinc/36/20/19/350362019.db2.gz CHFUZGSDNUWBNQ-QMMMGPOBSA-N 2 0 231.365 0.064 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]1NCCC[NH+]1CCCC1 ZINC000422781386 192465962 /nfs/dbraw/zinc/46/59/62/192465962.db2.gz ITYJJVHVRXQZTL-RYUDHWBXSA-N 2 0 211.353 0.942 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000309412111 350372256 /nfs/dbraw/zinc/37/22/56/350372256.db2.gz IRCVHHXVKUNPPO-VHSXEESVSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000069840251 350418380 /nfs/dbraw/zinc/41/83/80/350418380.db2.gz WIHPKUSUINNUBC-QWRGUYRKSA-N 2 0 227.352 0.666 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)NCC[NH2+]C1CC1 ZINC000637306469 350432419 /nfs/dbraw/zinc/43/24/19/350432419.db2.gz JCCZIWWJLVOSGR-UHFFFAOYSA-N 2 0 242.367 0.332 20 0 BCADRP CN1CC[C@H]([N@@H+]2CCC[C@H](CC[NH3+])C2)C1=O ZINC000070583868 350543863 /nfs/dbraw/zinc/54/38/63/350543863.db2.gz SBCSBPHSZMJWIF-MNOVXSKESA-N 2 0 225.336 0.278 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248597465 191108809 /nfs/dbraw/zinc/10/88/09/191108809.db2.gz IJORVWYXHBXQSA-SDDRHHMPSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000094648344 350598562 /nfs/dbraw/zinc/59/85/62/350598562.db2.gz FWOAMLOFZJKVCD-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)CCCC[NH3+] ZINC000230711102 350606807 /nfs/dbraw/zinc/60/68/07/350606807.db2.gz NNFHOFOACCKWGO-UHFFFAOYSA-N 2 0 229.368 0.916 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[NH2+]CC1 ZINC000232920302 350669796 /nfs/dbraw/zinc/66/97/96/350669796.db2.gz UTRLEBAQBFEJCX-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000234264992 350693828 /nfs/dbraw/zinc/69/38/28/350693828.db2.gz WKXHQBZVEMGAGR-NEPJUHHUSA-N 3 0 229.368 0.424 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000309519556 350695403 /nfs/dbraw/zinc/69/54/03/350695403.db2.gz BAMPCLBAGXYTNR-AEJSXWLSSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000309516524 350695498 /nfs/dbraw/zinc/69/54/98/350695498.db2.gz YVXAOCQWKSGLAC-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+]CCNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000637578509 350731394 /nfs/dbraw/zinc/73/13/94/350731394.db2.gz UOJORPVOJMECKT-LLVKDONJSA-N 2 0 242.367 0.378 20 0 BCADRP [NH3+][C@@H](CC(=O)N1CCC[NH2+]CC1)c1ccccc1 ZINC000035738360 358458577 /nfs/dbraw/zinc/45/85/77/358458577.db2.gz WVGCHYGQVUMPEY-ZDUSSCGKSA-N 2 0 247.342 0.898 20 0 BCADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000577612108 366016858 /nfs/dbraw/zinc/01/68/58/366016858.db2.gz FPJCHHVFKRPWER-TUAOUCFPSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000577612107 366017672 /nfs/dbraw/zinc/01/76/72/366017672.db2.gz FPJCHHVFKRPWER-GRYCIOLGSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+]CCN1CC[C@@H](C[NH3+])c2ccccc21 ZINC000616675215 351243006 /nfs/dbraw/zinc/24/30/06/351243006.db2.gz POKWQAVGGCWBCL-JTQLQIEISA-N 2 0 205.305 0.898 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000571761355 323474073 /nfs/dbraw/zinc/47/40/73/323474073.db2.gz HOJXMOWAEDKGEE-SFYZADRCSA-N 2 0 235.278 0.227 20 0 BCADRP C[C@@H](O)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000166161722 133847440 /nfs/dbraw/zinc/84/74/40/133847440.db2.gz UEOLLFJSHKLSEK-PWSUYJOCSA-N 2 0 212.337 0.689 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C1([NH3+])CCC1 ZINC000088050110 351532195 /nfs/dbraw/zinc/53/21/95/351532195.db2.gz OISSQCDFHOAVDQ-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000572122229 323543277 /nfs/dbraw/zinc/54/32/77/323543277.db2.gz WKRGGXWKJYIHDQ-GRYCIOLGSA-N 2 0 239.363 0.572 20 0 BCADRP CCN(CC[NH3+])C(=O)NCC[N@H+](CC)C1CC1 ZINC000626964466 363065825 /nfs/dbraw/zinc/06/58/25/363065825.db2.gz GODUIOQZANZDMO-UHFFFAOYSA-N 2 0 242.367 0.461 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C1([NH3+])CCC1 ZINC000088050958 351539417 /nfs/dbraw/zinc/53/94/17/351539417.db2.gz PLKZMAKDNPPNHC-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)N(CC)CC[NH3+] ZINC000626976636 363074564 /nfs/dbraw/zinc/07/45/64/363074564.db2.gz JMSQNNXKVMGQNY-UHFFFAOYSA-N 2 0 244.383 0.709 20 0 BCADRP [NH3+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000637801866 351632804 /nfs/dbraw/zinc/63/28/04/351632804.db2.gz IRAQZQSCNNENPA-UHFFFAOYSA-N 2 0 225.336 0.327 20 0 BCADRP C[N@H+](CCc1ccccc1)CC(=O)NCCC[NH3+] ZINC000637801979 351633921 /nfs/dbraw/zinc/63/39/21/351633921.db2.gz KOWDURORJPLKFK-UHFFFAOYSA-N 2 0 249.358 0.626 20 0 BCADRP COc1cccc([C@@H]([NH3+])C(=O)NCCC[NH3+])c1 ZINC000637802005 351633961 /nfs/dbraw/zinc/63/39/61/351633961.db2.gz LQLZWSOFNFIBSA-LLVKDONJSA-N 2 0 237.303 0.160 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000637817312 351661341 /nfs/dbraw/zinc/66/13/41/351661341.db2.gz SPHUMABSBSDXII-GHMZBOCLSA-N 2 0 223.320 0.292 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)c2oc(C[NH3+])cc2C)C1 ZINC000637802779 351638006 /nfs/dbraw/zinc/63/80/06/351638006.db2.gz UTHGFIRQNDPSJB-SECBINFHSA-N 2 0 237.303 0.481 20 0 BCADRP COc1cccc([C@H]([NH3+])C(=O)N2CC[NH2+]CC2)c1 ZINC000637802603 351638039 /nfs/dbraw/zinc/63/80/39/351638039.db2.gz WYPNHPTXXVNINT-LBPRGKRZSA-N 2 0 249.314 0.127 20 0 BCADRP C[C@@H](NC(=O)CCC1C[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000637820867 351661628 /nfs/dbraw/zinc/66/16/28/351661628.db2.gz QJINLMVSMMSFJS-PWSUYJOCSA-N 2 0 239.363 0.490 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[NH2+]CC2)CC[N@@H+]1C ZINC000637803839 351640467 /nfs/dbraw/zinc/64/04/67/351640467.db2.gz OZOUTHRFRRRNNR-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)NCC2CC[NH2+]CC2)C1 ZINC000637805471 351641595 /nfs/dbraw/zinc/64/15/95/351641595.db2.gz NXWHJGNNJCSBGF-LLVKDONJSA-N 2 0 223.320 0.150 20 0 BCADRP C[C@H](C(=O)NCC1CC[NH2+]CC1)[NH+](C)C ZINC000637805773 351642354 /nfs/dbraw/zinc/64/23/54/351642354.db2.gz QEGVPOIGVTXTID-SECBINFHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CCC1C[NH2+]C1 ZINC000637806267 351643138 /nfs/dbraw/zinc/64/31/38/351643138.db2.gz QRSMNHXDSNCSSI-JQWIXIFHSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000637806646 351644030 /nfs/dbraw/zinc/64/40/30/351644030.db2.gz ZORSYJJEJNPVMI-LBPRGKRZSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H](C(=O)N(C1CC1)C1CC[NH2+]CC1)[NH+](C)C ZINC000637807455 351644776 /nfs/dbraw/zinc/64/47/76/351644776.db2.gz XNROEVKIJNWONC-SNVBAGLBSA-N 2 0 239.363 0.680 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H](C)[NH2+]CC ZINC000637809013 351645389 /nfs/dbraw/zinc/64/53/89/351645389.db2.gz JCHOBQFURIGFJX-VIFPVBQESA-N 2 0 201.314 0.100 20 0 BCADRP CC[NH2+]CCCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637808627 351647169 /nfs/dbraw/zinc/64/71/69/351647169.db2.gz KPTBSQASRMXMAF-SNVBAGLBSA-N 2 0 211.309 0.150 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N2CC[NH2+]C[C@H]2C)CC[N@@H+]1C ZINC000637815394 351654835 /nfs/dbraw/zinc/65/48/35/351654835.db2.gz AICOMEUZGWIWBK-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH3+])[NH+](C)C ZINC000637816458 351656174 /nfs/dbraw/zinc/65/61/74/351656174.db2.gz LYEHVAPPSHOAEJ-MNOVXSKESA-N 2 0 227.352 0.666 20 0 BCADRP C[C@H](C(=O)N1CCCC[C@H]1C[NH3+])[NH+](C)C ZINC000637816878 351656854 /nfs/dbraw/zinc/65/68/54/351656854.db2.gz MJQRDHJWYPCWKX-ZJUUUORDSA-N 2 0 213.325 0.276 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000637817000 351657365 /nfs/dbraw/zinc/65/73/65/351657365.db2.gz QEXCRUPCHCNDLL-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000637813967 351658063 /nfs/dbraw/zinc/65/80/63/351658063.db2.gz HFZHNTOEYIUROS-LLVKDONJSA-N 2 0 239.363 0.444 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000637817103 351658074 /nfs/dbraw/zinc/65/80/74/351658074.db2.gz QEXCRUPCHCNDLL-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C ZINC000637819588 351660174 /nfs/dbraw/zinc/66/01/74/351660174.db2.gz VNGIVTPEKJFCQJ-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000637798415 351626583 /nfs/dbraw/zinc/62/65/83/351626583.db2.gz XVHLAQXVKCLTIQ-SECBINFHSA-N 2 0 237.303 0.610 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000637799151 351627942 /nfs/dbraw/zinc/62/79/42/351627942.db2.gz KPGAAWQXTRDGKP-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000637799568 351628869 /nfs/dbraw/zinc/62/88/69/351628869.db2.gz VTFXZEDQKDVWST-NSHDSACASA-N 2 0 225.336 0.420 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000637829852 351678678 /nfs/dbraw/zinc/67/86/78/351678678.db2.gz QDRLIMJQQPMPLW-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000637829849 351678725 /nfs/dbraw/zinc/67/87/25/351678725.db2.gz QDRLIMJQQPMPLW-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH+](C)CC1(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000637831732 351680881 /nfs/dbraw/zinc/68/08/81/351680881.db2.gz BWMNRGMGAGTYSP-NSHDSACASA-N 2 0 239.363 0.444 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000637832117 351680889 /nfs/dbraw/zinc/68/08/89/351680889.db2.gz HSSNTJYDTHIWPF-JQWIXIFHSA-N 2 0 235.331 0.801 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000637832721 351682206 /nfs/dbraw/zinc/68/22/06/351682206.db2.gz JZAAJTRNLSQUTL-MWLCHTKSSA-N 2 0 223.320 0.150 20 0 BCADRP C[NH2+]CC1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000637835247 351685800 /nfs/dbraw/zinc/68/58/00/351685800.db2.gz NRIKPOVHKLUYEI-GFCCVEGCSA-N 2 0 237.347 0.492 20 0 BCADRP [NH3+][C@H](CNC(=O)CCC1C[NH2+]C1)c1ccccc1 ZINC000637831527 351685955 /nfs/dbraw/zinc/68/59/55/351685955.db2.gz DGWAFOZWBJFITD-CYBMUJFWSA-N 2 0 247.342 0.802 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000637834373 351688645 /nfs/dbraw/zinc/68/86/45/351688645.db2.gz DHWXOAHHSMEVJZ-MWLCHTKSSA-N 2 0 223.320 0.102 20 0 BCADRP [NH3+][C@H](CNC(=O)C1=CC[C@H]([NH3+])C1)c1ccccc1 ZINC000637834426 351688781 /nfs/dbraw/zinc/68/87/81/351688781.db2.gz ZAQDMUQMICNMDY-QWHCGFSZSA-N 2 0 245.326 0.850 20 0 BCADRP Cc1nc[nH]c1CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000637834874 351689168 /nfs/dbraw/zinc/68/91/68/351689168.db2.gz AVMWUXKLSHYKKB-SECBINFHSA-N 2 0 222.292 0.081 20 0 BCADRP CC[C@H](C(=O)NC1(C[NH3+])CCCC1)[NH+](C)C ZINC000637839314 351689557 /nfs/dbraw/zinc/68/95/57/351689557.db2.gz IUWWUEGKXFTCGT-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N(C)[C@@H](C)C[NH3+] ZINC000637839865 351690341 /nfs/dbraw/zinc/69/03/41/351690341.db2.gz BVZZRMLXAYPTLT-QMMMGPOBSA-N 2 0 225.292 0.466 20 0 BCADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH2+]C1 ZINC000637837369 351691516 /nfs/dbraw/zinc/69/15/16/351691516.db2.gz FJENVYPZESNHRZ-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000637851073 351708068 /nfs/dbraw/zinc/70/80/68/351708068.db2.gz YFLUVIBENVVUOF-DTWKUNHWSA-N 2 0 201.314 0.084 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000637840969 351696428 /nfs/dbraw/zinc/69/64/28/351696428.db2.gz JKQVFBULARRMOW-ONGXEEELSA-N 2 0 242.367 0.540 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000637841899 351698007 /nfs/dbraw/zinc/69/80/07/351698007.db2.gz MIHJDKPQIBFKGK-KCJUWKMLSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C1(C[NH+](C)C)CC1 ZINC000637844617 351700138 /nfs/dbraw/zinc/70/01/38/351700138.db2.gz PLQQWLMWTHWZRK-NSHDSACASA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H](C)[NH+](C)C ZINC000637850843 351708150 /nfs/dbraw/zinc/70/81/50/351708150.db2.gz DETGDSQCYPWPLK-MWLCHTKSSA-N 2 0 215.341 0.426 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N(C)[C@@H](C)C[NH3+] ZINC000637843144 351701837 /nfs/dbraw/zinc/70/18/37/351701837.db2.gz WLNPDCDXGZYDMR-UWVGGRQHSA-N 2 0 215.341 0.556 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000637843774 351703031 /nfs/dbraw/zinc/70/30/31/351703031.db2.gz HEJBIJPOWPLNCE-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000637843771 351703195 /nfs/dbraw/zinc/70/31/95/351703195.db2.gz HEJBIJPOWPLNCE-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000637847649 351703250 /nfs/dbraw/zinc/70/32/50/351703250.db2.gz KKJYUERVMJNNHF-MVWJERBFSA-N 2 0 237.347 0.620 20 0 BCADRP C[C@H]1CCCN(C(=O)CCC2C[NH2+]C2)[C@@H]1C[NH3+] ZINC000637847691 351703862 /nfs/dbraw/zinc/70/38/62/351703862.db2.gz OPQFPEGJBQIIRN-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])[NH+](C)C ZINC000637846126 351704587 /nfs/dbraw/zinc/70/45/87/351704587.db2.gz FFFJRWMUBVUHDJ-HBNTYKKESA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000577720084 366042034 /nfs/dbraw/zinc/04/20/34/366042034.db2.gz XVIIIANAQISBSX-XWLWVQCSSA-N 2 0 227.352 0.556 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000637847038 351705284 /nfs/dbraw/zinc/70/52/84/351705284.db2.gz FMUSEFXTIRHGCU-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCC(C)C)C1 ZINC000637821445 351665946 /nfs/dbraw/zinc/66/59/46/351665946.db2.gz BLQJIQLKKTWDIL-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000637822649 351667570 /nfs/dbraw/zinc/66/75/70/351667570.db2.gz MXUHVPUDKJTSSN-GHMZBOCLSA-N 2 0 223.320 0.244 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637850819 351708268 /nfs/dbraw/zinc/70/82/68/351708268.db2.gz WNXDIOMCJNOJMA-YPMHNXCESA-N 2 0 239.363 0.914 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000637826533 351673278 /nfs/dbraw/zinc/67/32/78/351673278.db2.gz SUEGEEHMXQMQFQ-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000577731784 366046648 /nfs/dbraw/zinc/04/66/48/366046648.db2.gz SHNJXIZLPIGXKQ-RKDXNWHRSA-N 2 0 249.305 0.699 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2C(=O)C[NH2+]C1CC1 ZINC000577764475 366056797 /nfs/dbraw/zinc/05/67/97/366056797.db2.gz HDTCQHKQQWNBOL-UHFFFAOYSA-N 2 0 237.347 0.468 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[NH2+]CC1(C)C ZINC000637857596 351717972 /nfs/dbraw/zinc/71/79/72/351717972.db2.gz RIZUAZURFQASIW-SECBINFHSA-N 2 0 213.325 0.195 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C1(C[NH+](C)C)CC1 ZINC000637858517 351720111 /nfs/dbraw/zinc/72/01/11/351720111.db2.gz GNJNQHJRCMFCOR-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000637861284 351722061 /nfs/dbraw/zinc/72/20/61/351722061.db2.gz HMMMLTMIWLUTFI-SECBINFHSA-N 2 0 215.341 0.428 20 0 BCADRP CCCCNC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287613 351752396 /nfs/dbraw/zinc/75/23/96/351752396.db2.gz OSWTWSGEJJRRNE-PHIMTYICSA-N 2 0 225.336 0.054 20 0 BCADRP C[C@@H](C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000674245747 487535673 /nfs/dbraw/zinc/53/56/73/487535673.db2.gz WCVFAWGZOVLYJR-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]C ZINC000577749893 366053442 /nfs/dbraw/zinc/05/34/42/366053442.db2.gz CDGYEJHOGAGKMM-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637853205 351708973 /nfs/dbraw/zinc/70/89/73/351708973.db2.gz SFHUSWNEVPSPOX-QJPTWQEYSA-N 2 0 237.347 0.668 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000637851652 351710305 /nfs/dbraw/zinc/71/03/05/351710305.db2.gz JXCSNWHXMWBJJS-DGCLKSJQSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH3+])C2CC2)CC[N@@H+]1C ZINC000637854326 351713048 /nfs/dbraw/zinc/71/30/48/351713048.db2.gz GUDIGMQNFYWEQV-QJPTWQEYSA-N 2 0 239.363 0.570 20 0 BCADRP Cc1cncn1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000637859213 351715876 /nfs/dbraw/zinc/71/58/76/351715876.db2.gz IKTCKZXJWRSEEC-NEPJUHHUSA-N 2 0 248.330 0.544 20 0 BCADRP C[NH+](C)CCCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638047857 351925219 /nfs/dbraw/zinc/92/52/19/351925219.db2.gz NGQUPEUWQIDONY-JTQLQIEISA-N 2 0 211.309 0.102 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000638047955 351925355 /nfs/dbraw/zinc/92/53/55/351925355.db2.gz LBUIGOQCXZGOKW-JTQLQIEISA-N 2 0 229.368 0.688 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000638046711 351925790 /nfs/dbraw/zinc/92/57/90/351925790.db2.gz DTRDVHQLBQCTTP-NSHDSACASA-N 2 0 229.368 0.818 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)NCCn1ccnc1 ZINC000638051282 351928682 /nfs/dbraw/zinc/92/86/82/351928682.db2.gz DTLBQPWIRYLIEQ-UHFFFAOYSA-N 2 0 248.286 0.673 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC[NH+]1CCCC1 ZINC000638059777 351933554 /nfs/dbraw/zinc/93/35/54/351933554.db2.gz WPUPUOUQWDPTME-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)CCC2C[NH2+]C2)CC1 ZINC000638060589 351934177 /nfs/dbraw/zinc/93/41/77/351934177.db2.gz YDSJEZWHTDGUEY-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CCC1C[NH2+]C1 ZINC000638076982 351948501 /nfs/dbraw/zinc/94/85/01/351948501.db2.gz NYPFEYKZAVZGCC-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000638070705 351942082 /nfs/dbraw/zinc/94/20/82/351942082.db2.gz VFGURGLCWAHFQP-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000638072229 351944448 /nfs/dbraw/zinc/94/44/48/351944448.db2.gz KZRPSAOEYDVWBZ-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000638072296 351944458 /nfs/dbraw/zinc/94/44/58/351944458.db2.gz MGRJNUMINKYLPK-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000638072232 351944557 /nfs/dbraw/zinc/94/45/57/351944557.db2.gz KZRPSAOEYDVWBZ-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H](C)[NH+](C)C ZINC000638145498 352007859 /nfs/dbraw/zinc/00/78/59/352007859.db2.gz JRYKPUGXERIBAP-SECBINFHSA-N 2 0 201.314 0.052 20 0 BCADRP COCC[NH2+]CCNC(=O)[C@H]([NH3+])CCC(C)C ZINC000638153902 352014400 /nfs/dbraw/zinc/01/44/00/352014400.db2.gz LIYXJQOFBHWDHK-LLVKDONJSA-N 2 0 245.367 0.102 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000638076621 351949565 /nfs/dbraw/zinc/94/95/65/351949565.db2.gz ZQLGWTHJSWBWOZ-IJLUTSLNSA-N 2 0 239.363 0.727 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638077840 351950635 /nfs/dbraw/zinc/95/06/35/351950635.db2.gz BHBRBMHFGPZHKT-WDEREUQCSA-N 2 0 223.320 0.244 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)CCC1C[NH2+]C1)C1CC1 ZINC000638077979 351951053 /nfs/dbraw/zinc/95/10/53/351951053.db2.gz ZYZAFEILKZIEQD-GFCCVEGCSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000638077730 351951390 /nfs/dbraw/zinc/95/13/90/351951390.db2.gz VUOZPQFBZUJJDI-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000638079530 351952436 /nfs/dbraw/zinc/95/24/36/351952436.db2.gz UGWSOYZLCUWUPE-NWDGAFQWSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH+]1CCC(CNC(=O)CCC2C[NH2+]C2)CC1 ZINC000638086790 351964071 /nfs/dbraw/zinc/96/40/71/351964071.db2.gz WVTPQDHXGZEFFB-UHFFFAOYSA-N 2 0 239.363 0.444 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H](C)[NH2+]CC ZINC000638147207 352011353 /nfs/dbraw/zinc/01/13/53/352011353.db2.gz LAYVGZRJJDQOMC-VIFPVBQESA-N 2 0 201.314 0.100 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000638093135 351972101 /nfs/dbraw/zinc/97/21/01/351972101.db2.gz BOOVQHQVJWTNCV-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000638094342 351974867 /nfs/dbraw/zinc/97/48/67/351974867.db2.gz HKBJALLZVGABOM-STQMWFEESA-N 2 0 249.358 0.731 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000638098347 351977785 /nfs/dbraw/zinc/97/77/85/351977785.db2.gz BUIXWNYACCSGJX-ONGXEEELSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000638099157 351979146 /nfs/dbraw/zinc/97/91/46/351979146.db2.gz ACSAPZCAICMDAV-GXSJLCMTSA-N 2 0 237.347 0.633 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000638099656 351980144 /nfs/dbraw/zinc/98/01/44/351980144.db2.gz CWSQONBTUPTTSR-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH+](C)CC1(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000638151937 352012889 /nfs/dbraw/zinc/01/28/89/352012889.db2.gz BIDZOUMXWIOGFM-JTQLQIEISA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000638117712 351993842 /nfs/dbraw/zinc/99/38/42/351993842.db2.gz TVYQYRJLMSMRKW-LBPRGKRZSA-N 2 0 249.358 0.731 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000638117709 351994031 /nfs/dbraw/zinc/99/40/31/351994031.db2.gz TVYQYRJLMSMRKW-GFCCVEGCSA-N 2 0 249.358 0.731 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000638125980 351997179 /nfs/dbraw/zinc/99/71/79/351997179.db2.gz HUNPEORFRSLLND-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638126998 351998060 /nfs/dbraw/zinc/99/80/60/351998060.db2.gz FBPYTNVDUFQREG-GFCCVEGCSA-N 2 0 239.363 0.882 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638149974 352013763 /nfs/dbraw/zinc/01/37/63/352013763.db2.gz UUOAKYHSCWBURN-WCABBAIRSA-N 2 0 223.320 0.230 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638176842 352043312 /nfs/dbraw/zinc/04/33/12/352043312.db2.gz GIHAZFCKDOPUFG-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](C(=O)NCc1ccc2c(c1)C[NH2+]C2)[NH+](C)C ZINC000638194830 352057243 /nfs/dbraw/zinc/05/72/43/352057243.db2.gz ISWMOVOGUVKXSH-SNVBAGLBSA-N 2 0 247.342 0.856 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@H]1CC ZINC000638213455 352075379 /nfs/dbraw/zinc/07/53/79/352075379.db2.gz KGKLZSQBJHVZKX-UTUOFQBUSA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000638197214 352059524 /nfs/dbraw/zinc/05/95/24/352059524.db2.gz VSOGGCGHWPDCQS-GHMZBOCLSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638201032 352060986 /nfs/dbraw/zinc/06/09/86/352060986.db2.gz AASJVASLUQEWRC-WOPDTQHZSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638201029 352061142 /nfs/dbraw/zinc/06/11/42/352061142.db2.gz AASJVASLUQEWRC-IJLUTSLNSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000638199568 352063636 /nfs/dbraw/zinc/06/36/36/352063636.db2.gz DDBZLTZIFNJQAQ-GRYCIOLGSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC000638202889 352064347 /nfs/dbraw/zinc/06/43/47/352064347.db2.gz BRTNAXGUJXZYSD-SRVKXCTJSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638204089 352065925 /nfs/dbraw/zinc/06/59/25/352065925.db2.gz IJIHXNGGDJRYNM-TUAOUCFPSA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@H](C(=O)N1CC[NH2+][C@H](C)[C@H]1C)[NH+](C)C ZINC000638205596 352067663 /nfs/dbraw/zinc/06/76/63/352067663.db2.gz IMDBGFYVUKRMFP-GMTAPVOTSA-N 2 0 227.352 0.535 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638207959 352069981 /nfs/dbraw/zinc/06/99/81/352069981.db2.gz QUVYJXMTNHUWBP-ONGXEEELSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638208891 352071611 /nfs/dbraw/zinc/07/16/11/352071611.db2.gz WHRNZIWVYBBRCH-SRVKXCTJSA-N 2 0 239.363 0.727 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000638209722 352072189 /nfs/dbraw/zinc/07/21/89/352072189.db2.gz ZNAPSYMHKCEDEB-OUAUKWLOSA-N 2 0 227.352 0.570 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N[C@@H](C)CC[NH3+] ZINC000638152704 352017027 /nfs/dbraw/zinc/01/70/27/352017027.db2.gz BCFLJTKZEZFIOQ-QMMMGPOBSA-N 2 0 225.292 0.514 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)C[N@H+](C)CC(C)(C)C ZINC000638156719 352020346 /nfs/dbraw/zinc/02/03/46/352020346.db2.gz QJYLXGOJQXREHE-JTQLQIEISA-N 2 0 229.368 0.818 20 0 BCADRP C[C@@H]1CN(C(=O)CCC2C[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000638157105 352021530 /nfs/dbraw/zinc/02/15/30/352021530.db2.gz BVKHOTHIQPVEPL-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000638158395 352022256 /nfs/dbraw/zinc/02/22/56/352022256.db2.gz ZSXAVZPPJPECMH-TUAOUCFPSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000638158808 352022937 /nfs/dbraw/zinc/02/29/37/352022937.db2.gz STRQBHCYPNCXAA-WOPDTQHZSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC000638159293 352023235 /nfs/dbraw/zinc/02/32/35/352023235.db2.gz WTASPJRGCMIFMV-WDEREUQCSA-N 2 0 239.363 0.524 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH3+])CCC2)CC[N@@H+]1C ZINC000638162237 352026343 /nfs/dbraw/zinc/02/63/43/352026343.db2.gz NIYBUGZJDGSYLW-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP CC1(CNC(=O)C2=CC[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC000638161968 352026416 /nfs/dbraw/zinc/02/64/16/352026416.db2.gz JWTPTZXXEADMQI-NSHDSACASA-N 2 0 237.347 0.540 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000638166275 352030873 /nfs/dbraw/zinc/03/08/73/352030873.db2.gz WEMCDGWVGMDVOF-ZYHUDNBSSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@H](C(=O)N(CC[NH3+])Cc1ccccc1)[NH+](C)C ZINC000638168808 352032183 /nfs/dbraw/zinc/03/21/83/352032183.db2.gz HNCMSJALNSHXES-GFCCVEGCSA-N 2 0 249.358 0.924 20 0 BCADRP COc1cccc([C@H]([NH3+])C(=O)N[C@H](C)C[NH3+])c1 ZINC000638169928 352033545 /nfs/dbraw/zinc/03/35/45/352033545.db2.gz FTFZSSAACOAGBJ-KCJUWKMLSA-N 2 0 237.303 0.158 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H](C)C[NH3+] ZINC000638170424 352034265 /nfs/dbraw/zinc/03/42/65/352034265.db2.gz IYLLGUBZCMOATM-RKDXNWHRSA-N 2 0 201.314 0.213 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000638167634 352035357 /nfs/dbraw/zinc/03/53/57/352035357.db2.gz GDSAOEGNPTUEAE-WCQYABFASA-N 2 0 235.331 0.246 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC[N@H+](C)CC1 ZINC000638168069 352036347 /nfs/dbraw/zinc/03/63/47/352036347.db2.gz BUSXKZFWXWBTTF-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NCC1=CC[NH2+]CC1 ZINC000638175733 352041367 /nfs/dbraw/zinc/04/13/67/352041367.db2.gz LHPRRKMDRCWZAT-GFCCVEGCSA-N 2 0 239.363 0.786 20 0 BCADRP CO[C@H](C[NH2+]CCC[NH+](C)C)[C@@H]1CCOC1 ZINC000638289234 352125283 /nfs/dbraw/zinc/12/52/83/352125283.db2.gz FVEAEHOJCAUGDO-VXGBXAGGSA-N 2 0 230.352 0.579 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000638211170 352076959 /nfs/dbraw/zinc/07/69/59/352076959.db2.gz SCRKBYGAWHJZIW-BBBLOLIVSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@H](C(=O)N1CCC[C@H](CC[NH3+])C1)[NH+](C)C ZINC000638217299 352078135 /nfs/dbraw/zinc/07/81/35/352078135.db2.gz MSWODYUTWRQDEH-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000638224510 352082727 /nfs/dbraw/zinc/08/27/27/352082727.db2.gz LAWGEWDASYLEDN-UTLUCORTSA-N 2 0 231.315 0.143 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638234136 352085552 /nfs/dbraw/zinc/08/55/52/352085552.db2.gz XYVDXTMKPKZYRX-NRUUGDAUSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638233105 352087315 /nfs/dbraw/zinc/08/73/15/352087315.db2.gz VGXLQWOZJGCNOQ-CNVPUSNMSA-N 2 0 237.347 0.537 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000638243406 352089681 /nfs/dbraw/zinc/08/96/81/352089681.db2.gz OMXZVBCGPIBZCX-ZJUUUORDSA-N 2 0 215.341 0.618 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638243658 352091520 /nfs/dbraw/zinc/09/15/20/352091520.db2.gz QPYYDSNWJMVBMZ-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638240836 352091640 /nfs/dbraw/zinc/09/16/40/352091640.db2.gz LTWZYOCVKVZDDU-IJLUTSLNSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638246987 352093416 /nfs/dbraw/zinc/09/34/16/352093416.db2.gz VOTHPOGDIFMBRG-YTWAJWBKSA-N 2 0 225.336 0.084 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000638243573 352094105 /nfs/dbraw/zinc/09/41/05/352094105.db2.gz BHDHVQDWPIIOJM-ZJUUUORDSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000638249798 352095152 /nfs/dbraw/zinc/09/51/52/352095152.db2.gz WWFUPGBIGRDDRQ-GUBZILKMSA-N 2 0 228.340 0.150 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H](C)[NH+](C)C ZINC000638252118 352095441 /nfs/dbraw/zinc/09/54/41/352095441.db2.gz PFKCCEVJIIPOPH-RKDXNWHRSA-N 2 0 201.314 0.180 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000638256536 352099336 /nfs/dbraw/zinc/09/93/36/352099336.db2.gz PZMSSSBKHUNLFQ-UTLUCORTSA-N 2 0 215.341 0.602 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H](C)CCC[NH3+] ZINC000638251718 352099541 /nfs/dbraw/zinc/09/95/41/352099541.db2.gz JUOLJBUZLNKIDK-RKDXNWHRSA-N 2 0 201.314 0.228 20 0 BCADRP C[C@H](C(=O)N[C@H](CC[NH3+])C(F)F)[NH+](C)C ZINC000638257624 352100597 /nfs/dbraw/zinc/10/05/97/352100597.db2.gz BVLPYWDLWNCTAR-RNFRBKRXSA-N 2 0 223.267 0.035 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@H](C)[NH3+])CC[N@@H+]1C ZINC000638257786 352101389 /nfs/dbraw/zinc/10/13/89/352101389.db2.gz WOBLDEQXLVIULM-ZRUFSTJUSA-N 2 0 227.352 0.569 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC000638258042 352101517 /nfs/dbraw/zinc/10/15/17/352101517.db2.gz XMSHSGYWJTUGOV-RKDXNWHRSA-N 2 0 213.325 0.180 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000638261276 352103655 /nfs/dbraw/zinc/10/36/55/352103655.db2.gz DJYWHEUZKRWTSI-NXEZZACHSA-N 2 0 227.352 0.489 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])CCC(C)C ZINC000638260249 352104405 /nfs/dbraw/zinc/10/44/05/352104405.db2.gz XJXDGNQKPACVCJ-UWVGGRQHSA-N 2 0 215.341 0.603 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638269660 352106839 /nfs/dbraw/zinc/10/68/39/352106839.db2.gz SIZKRAMABYRDOZ-DVVUODLYSA-N 2 0 223.320 0.278 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000638269725 352107197 /nfs/dbraw/zinc/10/71/97/352107197.db2.gz UANVFZAVUKVDFL-BBBLOLIVSA-N 2 0 213.325 0.228 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638269846 352107341 /nfs/dbraw/zinc/10/73/41/352107341.db2.gz BSPPBTBRICRZRP-SNVBAGLBSA-N 2 0 225.336 0.243 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000638269726 352107551 /nfs/dbraw/zinc/10/75/51/352107551.db2.gz UANVFZAVUKVDFL-KXUCPTDWSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@@H](C(=O)N[C@@H]1CC[NH2+]C1(C)C)[NH+](C)C ZINC000638268280 352107888 /nfs/dbraw/zinc/10/78/88/352107888.db2.gz XRHPVUHNPZKFGN-VHSXEESVSA-N 2 0 227.352 0.583 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000638270514 352107934 /nfs/dbraw/zinc/10/79/34/352107934.db2.gz YOOKYUPYXYVKAO-OPRDCNLKSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000638270512 352108202 /nfs/dbraw/zinc/10/82/02/352108202.db2.gz YOOKYUPYXYVKAO-BBBLOLIVSA-N 2 0 213.325 0.180 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000638270606 352108746 /nfs/dbraw/zinc/10/87/46/352108746.db2.gz JHPGDLWQXYQGLY-QWRGUYRKSA-N 2 0 239.363 0.727 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000638271554 352109496 /nfs/dbraw/zinc/10/94/96/352109496.db2.gz XKNVRQJTPMWQSL-SECBINFHSA-N 2 0 213.325 0.195 20 0 BCADRP CC1(C)CN(C(=O)C2=CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000638271564 352109570 /nfs/dbraw/zinc/10/95/70/352109570.db2.gz XNMGPRWSDPAYOH-JTQLQIEISA-N 2 0 223.320 0.244 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000638277023 352113773 /nfs/dbraw/zinc/11/37/73/352113773.db2.gz WXWKKPYVVRMBMK-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000638276865 352113820 /nfs/dbraw/zinc/11/38/20/352113820.db2.gz QDNKSIPUGPXSCW-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000638277021 352113847 /nfs/dbraw/zinc/11/38/47/352113847.db2.gz WXWKKPYVVRMBMK-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000638277024 352113872 /nfs/dbraw/zinc/11/38/72/352113872.db2.gz WXWKKPYVVRMBMK-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000638333409 352151645 /nfs/dbraw/zinc/15/16/45/352151645.db2.gz XDXPXXHPDVUABY-NEPJUHHUSA-N 2 0 241.379 0.946 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH3+])C(C)(C)C)C1 ZINC000638335098 352151743 /nfs/dbraw/zinc/15/17/43/352151743.db2.gz GIDMVCYARDUJHS-WDEREUQCSA-N 2 0 241.379 0.818 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH3+])C(C)(C)C)C1 ZINC000638335096 352151839 /nfs/dbraw/zinc/15/18/39/352151839.db2.gz GIDMVCYARDUJHS-MNOVXSKESA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638334224 352152264 /nfs/dbraw/zinc/15/22/64/352152264.db2.gz YFZVKQSWZWBMGU-UWVGGRQHSA-N 2 0 225.336 0.524 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638335769 352154204 /nfs/dbraw/zinc/15/42/04/352154204.db2.gz RLOFAFQFEASSQR-DCAQKATOSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638335768 352154430 /nfs/dbraw/zinc/15/44/30/352154430.db2.gz RLOFAFQFEASSQR-AXFHLTTASA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000638336918 352155087 /nfs/dbraw/zinc/15/50/87/352155087.db2.gz KKZNGMXWHDHCHQ-WCABBAIRSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@@H]1CN(C(=O)CCC2C[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000638336614 352155500 /nfs/dbraw/zinc/15/55/00/352155500.db2.gz CMEZYRWAGNMXHI-ZWNOBZJWSA-N 2 0 239.363 0.429 20 0 BCADRP COc1cccc([C@H]([NH3+])C(=O)N(C)CC[NH3+])c1 ZINC000638342484 352160031 /nfs/dbraw/zinc/16/00/31/352160031.db2.gz GZDOCRSWARTKHS-NSHDSACASA-N 2 0 237.303 0.112 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638342803 352161816 /nfs/dbraw/zinc/16/18/16/352161816.db2.gz RHSXALFTZSXMSZ-MXWKQRLJSA-N 2 0 227.352 0.428 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000638342797 352161844 /nfs/dbraw/zinc/16/18/44/352161844.db2.gz RHSXALFTZSXMSZ-AXFHLTTASA-N 2 0 227.352 0.428 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000638344206 352163143 /nfs/dbraw/zinc/16/31/43/352163143.db2.gz WRYJYXYHUIUYLH-KXUCPTDWSA-N 2 0 213.325 0.167 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638347094 352164182 /nfs/dbraw/zinc/16/41/82/352164182.db2.gz ONFXSNOAJMMQHG-SNVBAGLBSA-N 2 0 211.309 0.102 20 0 BCADRP C[C@H]1CCN(C(=O)CCC2C[NH2+]C2)C[C@H]1C[NH3+] ZINC000638346229 352164991 /nfs/dbraw/zinc/16/49/91/352164991.db2.gz ZYAMBQLPLUZFGL-CMPLNLGQSA-N 2 0 239.363 0.429 20 0 BCADRP C(C[C@H]1CCC[NH2+]1)[NH2+]CC1CC[NH2+]CC1 ZINC000414899953 352174525 /nfs/dbraw/zinc/17/45/25/352174525.db2.gz CQWYTJZHGDMURO-GFCCVEGCSA-N 3 0 211.353 0.718 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638368719 352177967 /nfs/dbraw/zinc/17/79/67/352177967.db2.gz MJLMINFMSQZBGK-VWYCJHECSA-N 2 0 227.352 0.713 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000638370306 352180969 /nfs/dbraw/zinc/18/09/69/352180969.db2.gz KZGMHLOIBUKQCN-IUCAKERBSA-N 2 0 239.319 0.902 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000638375892 352185735 /nfs/dbraw/zinc/18/57/35/352185735.db2.gz JHKKRVKTKDCQAA-LBPRGKRZSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@@H](C(=O)NCCC[NH2+]C1CC1)[NH+](C)C ZINC000638377511 352188859 /nfs/dbraw/zinc/18/88/59/352188859.db2.gz LYJRZHGHUBEKAF-NSHDSACASA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC(CC[NH3+])CC1 ZINC000638393530 352199790 /nfs/dbraw/zinc/19/97/90/352199790.db2.gz RVFMYLLCNIHBER-VIFPVBQESA-N 2 0 213.325 0.311 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000638388665 352195726 /nfs/dbraw/zinc/19/57/26/352195726.db2.gz ZMKGLUXXOSDIJM-NSHDSACASA-N 2 0 239.363 0.573 20 0 BCADRP CC[C@@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)[NH+](C)C ZINC000638325802 352144940 /nfs/dbraw/zinc/14/49/40/352144940.db2.gz GYYZOIPUEZNFQS-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP O=C(CCC1C[NH2+]C1)NCCC1CC[NH2+]CC1 ZINC000638393579 352199932 /nfs/dbraw/zinc/19/99/32/352199932.db2.gz IEXDXJQWLILSON-UHFFFAOYSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@H](C(=O)N(C)[C@@H](C[NH3+])C1CC1)[NH+](C)C ZINC000638329254 352149280 /nfs/dbraw/zinc/14/92/80/352149280.db2.gz QIQFEYWSGWSAQX-SCZZXKLOSA-N 2 0 213.325 0.132 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638427888 352236433 /nfs/dbraw/zinc/23/64/33/352236433.db2.gz OHLSNQBRUIIGIR-WDEREUQCSA-N 2 0 225.336 0.524 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000638428535 352236537 /nfs/dbraw/zinc/23/65/37/352236537.db2.gz WLEIKDUYZVIXDU-VHSXEESVSA-N 2 0 215.341 0.474 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C)[NH+](C)C ZINC000638397476 352201928 /nfs/dbraw/zinc/20/19/28/352201928.db2.gz PLMTZOVRKSIWAS-IVZWLZJFSA-N 2 0 213.325 0.275 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000638431843 352240317 /nfs/dbraw/zinc/24/03/17/352240317.db2.gz VJYAJMBOTPTFJU-GMTAPVOTSA-N 2 0 245.342 0.648 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC000638395400 352202696 /nfs/dbraw/zinc/20/26/96/352202696.db2.gz CCJBYWCZXAAZAS-MNOVXSKESA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]([NH3+])C[C@@H]1C)[NH+](C)C ZINC000638399059 352205755 /nfs/dbraw/zinc/20/57/55/352205755.db2.gz YBQQFRCKEWORJP-GARJFASQSA-N 2 0 227.352 0.665 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]([NH3+])C[C@H]1C)[NH+](C)C ZINC000638399061 352206166 /nfs/dbraw/zinc/20/61/66/352206166.db2.gz YBQQFRCKEWORJP-GMTAPVOTSA-N 2 0 227.352 0.665 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)CC(C)(C)[NH3+] ZINC000638402571 352209345 /nfs/dbraw/zinc/20/93/45/352209345.db2.gz RBNUFBKJJLZNRU-MRVPVSSYSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000638404674 352211541 /nfs/dbraw/zinc/21/15/41/352211541.db2.gz JIEYFDSVCKGGBE-VHSXEESVSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H](CO)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638414677 352224412 /nfs/dbraw/zinc/22/44/12/352224412.db2.gz AQKJTELKXGJERR-NSHDSACASA-N 2 0 244.379 0.440 20 0 BCADRP C[NH+](C)CC1(C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000638418641 352228207 /nfs/dbraw/zinc/22/82/07/352228207.db2.gz PETUGIHYGLGKFH-UHFFFAOYSA-N 2 0 237.347 0.278 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000638419102 352228437 /nfs/dbraw/zinc/22/84/37/352228437.db2.gz FTJGAFUNIKWFSD-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP CO[C@H](C[NH2+]CCCC[NH+](C)C)[C@H]1CCOC1 ZINC000638451938 352261985 /nfs/dbraw/zinc/26/19/85/352261985.db2.gz RZRZILPJDBRHAL-QWHCGFSZSA-N 2 0 244.379 0.969 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000638438776 352245407 /nfs/dbraw/zinc/24/54/07/352245407.db2.gz CNLLQYNUBLSBCK-JQWIXIFHSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@H](C(=O)N[C@]1(C)CC[NH2+]C1)[NH+](C)C ZINC000638435600 352246135 /nfs/dbraw/zinc/24/61/35/352246135.db2.gz DBLAERITDABZOQ-MWLCHTKSSA-N 2 0 213.325 0.195 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000638439115 352248845 /nfs/dbraw/zinc/24/88/45/352248845.db2.gz HGHMCEGUYMMIPR-LBPRGKRZSA-N 2 0 237.303 0.529 20 0 BCADRP [NH3+]CCCC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638498578 352318366 /nfs/dbraw/zinc/31/83/66/352318366.db2.gz LNPPAYNSKUNILB-VIFPVBQESA-N 2 0 211.309 0.126 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638499283 352319185 /nfs/dbraw/zinc/31/91/85/352319185.db2.gz OJKORVMSHRGZKJ-QWRGUYRKSA-N 2 0 237.347 0.529 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627063216 363178609 /nfs/dbraw/zinc/17/86/09/363178609.db2.gz OUHSRORPQCHICX-UWVGGRQHSA-N 2 0 228.340 0.036 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000638499637 352319596 /nfs/dbraw/zinc/31/95/96/352319596.db2.gz RMXIJQXIVCAJAG-MNOVXSKESA-N 2 0 237.347 0.387 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000638489546 352301064 /nfs/dbraw/zinc/30/10/64/352301064.db2.gz NVYSGEOTORFGTI-NEPJUHHUSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[NH2+]C12CCC2)[NH+](C)C ZINC000638506279 352327343 /nfs/dbraw/zinc/32/73/43/352327343.db2.gz SCAQIZCXZNRUBH-UWVGGRQHSA-N 2 0 225.336 0.337 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638509091 352332427 /nfs/dbraw/zinc/33/24/27/352332427.db2.gz RABGRABIEMWJDL-SFYZADRCSA-N 2 0 247.289 0.370 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638509080 352332497 /nfs/dbraw/zinc/33/24/97/352332497.db2.gz RABGRABIEMWJDL-HTQZYQBOSA-N 2 0 247.289 0.370 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000638511969 352334807 /nfs/dbraw/zinc/33/48/07/352334807.db2.gz HZKWPJCMCVXTTC-OPRDCNLKSA-N 2 0 223.320 0.125 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CC[NH2+]C12CCC2)[NH+](C)C ZINC000638511899 352336249 /nfs/dbraw/zinc/33/62/49/352336249.db2.gz HRBWKGYWLFKWKU-GHMZBOCLSA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+][C@H](C(=O)N[C@@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000638511411 352336450 /nfs/dbraw/zinc/33/64/50/352336450.db2.gz OXCNROCGGVKTSG-MNOVXSKESA-N 2 0 237.347 0.515 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH3+])CC[N@@H+]1C ZINC000638512232 352336498 /nfs/dbraw/zinc/33/64/98/352336498.db2.gz GNWZSQKKWKEOGG-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H](CO)O2)CC1 ZINC000340413478 352336931 /nfs/dbraw/zinc/33/69/31/352336931.db2.gz DLTGGBRPNDOFLT-STQMWFEESA-N 2 0 242.363 0.600 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000638516475 352342977 /nfs/dbraw/zinc/34/29/77/352342977.db2.gz SKDSIZURXNNXHA-MNOVXSKESA-N 2 0 225.336 0.324 20 0 BCADRP CCN(CC[NH3+])C(=O)C12CCC[NH+](CCC1)C2 ZINC000638515978 352343111 /nfs/dbraw/zinc/34/31/11/352343111.db2.gz JFKIATYHPOCKOS-UHFFFAOYSA-N 2 0 239.363 0.670 20 0 BCADRP CCN(CC[NH3+])C(=O)C(CC)(CC)C[NH3+] ZINC000638516358 352347078 /nfs/dbraw/zinc/34/70/78/352347078.db2.gz AKJNUELEJFVFRX-UHFFFAOYSA-N 2 0 215.341 0.559 20 0 BCADRP [NH3+]CC(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638547002 352377404 /nfs/dbraw/zinc/37/74/04/352377404.db2.gz IEHSMXSYPJGJKJ-UHFFFAOYSA-N 2 0 219.288 0.383 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638566623 352393361 /nfs/dbraw/zinc/39/33/61/352393361.db2.gz AWVCQWXCCCVSFK-WISYIIOYSA-N 2 0 239.363 0.761 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000638572599 352401405 /nfs/dbraw/zinc/40/14/05/352401405.db2.gz QKBNDHNTHUYBOO-GARJFASQSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC000638572675 352401127 /nfs/dbraw/zinc/40/11/27/352401127.db2.gz UAKJPPODAGJFGB-WDEREUQCSA-N 2 0 227.352 0.583 20 0 BCADRP CC(C)C[C@@H](CNC(=O)CCC[NH3+])[NH+](C)C ZINC000040831259 187702649 /nfs/dbraw/zinc/70/26/49/187702649.db2.gz XWWOTKOAURPKOX-NSHDSACASA-N 2 0 229.368 0.818 20 0 BCADRP C[NH2+]CCOCCN(C)C(=O)CCC(C)(C)[NH3+] ZINC000638586769 352418541 /nfs/dbraw/zinc/41/85/41/352418541.db2.gz XNUKFGWGHMPAAN-UHFFFAOYSA-N 2 0 245.367 0.198 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638574472 352404646 /nfs/dbraw/zinc/40/46/46/352404646.db2.gz RUZYEIYJJNTOLK-IVZWLZJFSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C[NH2+]1 ZINC000638638250 352479651 /nfs/dbraw/zinc/47/96/51/352479651.db2.gz BSRFFITUOMFJRH-WOPDTQHZSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)CC2([NH3+])CC2)C[NH2+]1 ZINC000638638678 352480912 /nfs/dbraw/zinc/48/09/12/352480912.db2.gz FPGNDMHXFCSBPA-RKDXNWHRSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)c2ccnc(C[NH3+])c2)C[NH2+]1 ZINC000638640755 352482625 /nfs/dbraw/zinc/48/26/25/352482625.db2.gz BTNDHNCKKILYCF-KOLCDFICSA-N 2 0 248.330 0.411 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)C[NH2+]1 ZINC000638641560 352484845 /nfs/dbraw/zinc/48/48/45/352484845.db2.gz DRMGTGYVLOAGKY-MIMYLULJSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[NH+](C)C ZINC000638642591 352485028 /nfs/dbraw/zinc/48/50/28/352485028.db2.gz XBENFZLRTFWQEU-KXUCPTDWSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)c2coc(C[NH3+])c2)C[NH2+]1 ZINC000638644193 352486186 /nfs/dbraw/zinc/48/61/86/352486186.db2.gz ONKUAWLDVPYTBX-SCZZXKLOSA-N 2 0 237.303 0.609 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643560 352486318 /nfs/dbraw/zinc/48/63/18/352486318.db2.gz LTPACJAYAQXGPQ-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643988 352486592 /nfs/dbraw/zinc/48/65/92/352486592.db2.gz NTABJVGEAFYRHM-KATARQTJSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)CC[NH2+]C2CC2)C[NH2+]1 ZINC000638643202 352487347 /nfs/dbraw/zinc/48/73/47/352487347.db2.gz IMOUQWAABUIBOI-ONGXEEELSA-N 2 0 225.336 0.385 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638644259 352487477 /nfs/dbraw/zinc/48/74/77/352487477.db2.gz OYNXCHGNTMFCOI-USZNOCQGSA-N 2 0 239.363 0.631 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638644261 352487767 /nfs/dbraw/zinc/48/77/67/352487767.db2.gz OYNXCHGNTMFCOI-WYUUTHIRSA-N 2 0 239.363 0.631 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638653809 352494194 /nfs/dbraw/zinc/49/41/94/352494194.db2.gz HJORRMCCFJXBNF-VWYCJHECSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[NH2+]1 ZINC000638644882 352488350 /nfs/dbraw/zinc/48/83/50/352488350.db2.gz IRHJYBMYJGUHCU-ZYHUDNBSSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[NH2+]1 ZINC000638646346 352489196 /nfs/dbraw/zinc/48/91/96/352489196.db2.gz ZFGOSMLOSUJRNN-RHYQMDGZSA-N 2 0 239.363 0.631 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638655354 352495911 /nfs/dbraw/zinc/49/59/11/352495911.db2.gz PQMGUPMLNJKDLW-GHMZBOCLSA-N 2 0 227.352 0.631 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@H]2[NH2+]CCC2(C)C)C[NH2+]1 ZINC000638653795 352495960 /nfs/dbraw/zinc/49/59/60/352495960.db2.gz ZHBIDRPPFUBOFE-OUAUKWLOSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C[NH2+]1 ZINC000638655410 352495982 /nfs/dbraw/zinc/49/59/82/352495982.db2.gz QPZDIXXSODRZIR-KKOKHZNYSA-N 2 0 239.363 0.761 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638655357 352496116 /nfs/dbraw/zinc/49/61/16/352496116.db2.gz PQMGUPMLNJKDLW-WDEREUQCSA-N 2 0 227.352 0.631 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638656702 352497525 /nfs/dbraw/zinc/49/75/25/352497525.db2.gz USSHQNQLDXMBOQ-NXEZZACHSA-N 2 0 213.325 0.243 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)C[C@H]2CCC[NH2+]2)C[NH2+]1 ZINC000638657007 352498001 /nfs/dbraw/zinc/49/80/01/352498001.db2.gz UZJDUTPVDSIRFC-MXWKQRLJSA-N 2 0 225.336 0.385 20 0 BCADRP CC(C)([NH3+])C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638665351 352508957 /nfs/dbraw/zinc/50/89/57/352508957.db2.gz CJBCYJXACQGEBH-UHFFFAOYSA-N 2 0 249.314 0.844 20 0 BCADRP C1[C@@H]([NH2+][C@H]2CCCNC2)[C@@H]1C1CC[NH2+]CC1 ZINC000415013996 352550422 /nfs/dbraw/zinc/55/04/22/352550422.db2.gz WDJXZBNBQDQVHP-RWMBFGLXSA-N 2 0 223.364 0.716 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040458548 352598192 /nfs/dbraw/zinc/59/81/92/352598192.db2.gz CSNZCUUSKOQSAD-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N(C)C1CC[NH+](C)CC1 ZINC000040458334 352598276 /nfs/dbraw/zinc/59/82/76/352598276.db2.gz DZNHGTLDHHJMCX-LBPRGKRZSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H](CNC(=O)C(C)(C)[NH3+])C[NH+]1CCCCC1 ZINC000040924314 352600227 /nfs/dbraw/zinc/60/02/27/352600227.db2.gz JVVVYTSYNLVBHZ-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC000044526597 352653953 /nfs/dbraw/zinc/65/39/53/352653953.db2.gz LOCPKPORQOJDHK-PWSUYJOCSA-N 2 0 241.379 0.818 20 0 BCADRP CCN(CC)C(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514476 352653999 /nfs/dbraw/zinc/65/39/99/352653999.db2.gz DYVQDQUODBKRBC-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP C[NH+]1CCC(CNC(=O)C(C)(C)C[NH3+])CC1 ZINC000044752351 352656633 /nfs/dbraw/zinc/65/66/33/352656633.db2.gz PARQRMBXDFAFFO-UHFFFAOYSA-N 2 0 227.352 0.429 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+](C)C ZINC000638767932 352708308 /nfs/dbraw/zinc/70/83/08/352708308.db2.gz MMZBIORHYMJCSF-AXFHLTTASA-N 2 0 227.352 0.439 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000638768134 352708913 /nfs/dbraw/zinc/70/89/13/352708913.db2.gz QJMPJHWSYRIKDR-NWDGAFQWSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000638772485 352714752 /nfs/dbraw/zinc/71/47/52/352714752.db2.gz BEIBSGIKVAYINO-KQXIARHKSA-N 2 0 237.347 0.243 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638773474 352714820 /nfs/dbraw/zinc/71/48/20/352714820.db2.gz MBHGWBBIZQWDNX-NGZCFLSTSA-N 2 0 213.325 0.371 20 0 BCADRP CC[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+](C)C ZINC000638772530 352714865 /nfs/dbraw/zinc/71/48/65/352714865.db2.gz CHAZHGUMDPSDFO-AEJSXWLSSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000638772724 352715470 /nfs/dbraw/zinc/71/54/70/352715470.db2.gz FHIQYAOSGVZOST-GXSJLCMTSA-N 2 0 237.347 0.528 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000638790394 352750052 /nfs/dbraw/zinc/75/00/52/352750052.db2.gz HNJAUJLZAJBEEV-GARJFASQSA-N 2 0 225.336 0.337 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000638791248 352751990 /nfs/dbraw/zinc/75/19/90/352751990.db2.gz GYGQJXYRYYQYCH-GFCCVEGCSA-N 2 0 247.342 0.540 20 0 BCADRP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000334182215 352770735 /nfs/dbraw/zinc/77/07/35/352770735.db2.gz FFIXPPCOEZLUIA-WDEREUQCSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@H]1[C@@H](CO)CCC[N@@H+]1CCn1ccnc1 ZINC000412068154 191251604 /nfs/dbraw/zinc/25/16/04/191251604.db2.gz DYLYPJMGVVAPFA-NWDGAFQWSA-N 2 0 223.320 0.976 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000334207936 352804420 /nfs/dbraw/zinc/80/44/20/352804420.db2.gz LLIRXFYIGNNBLO-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373054364 187900362 /nfs/dbraw/zinc/90/03/62/187900362.db2.gz VSDPKSBJGHDNJE-RYUDHWBXSA-N 2 0 239.363 0.537 20 0 BCADRP [NH3+]CCCC(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638803854 352976430 /nfs/dbraw/zinc/97/64/30/352976430.db2.gz QFWNHYNXVDUREA-UHFFFAOYSA-N 2 0 249.314 0.610 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638805033 352979397 /nfs/dbraw/zinc/97/93/97/352979397.db2.gz HTZUCOXCMCVJRP-SECBINFHSA-N 2 0 249.314 0.466 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000164479565 352957126 /nfs/dbraw/zinc/95/71/26/352957126.db2.gz FYYWDUIURYEGGR-GHMZBOCLSA-N 2 0 241.379 0.688 20 0 BCADRP C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000627069493 363200997 /nfs/dbraw/zinc/20/09/97/363200997.db2.gz OSHCDIMMXZVOMG-OUAUKWLOSA-N 2 0 240.351 0.036 20 0 BCADRP CO[C@]1(C[NH2+]CC2=CC[N@H+](C)CC2)CCOC1 ZINC000638838536 353022934 /nfs/dbraw/zinc/02/29/34/353022934.db2.gz LCXOIITYJMCSRK-ZDUSSCGKSA-N 2 0 240.347 0.643 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[NH2+]C1CC1 ZINC000627070281 363201068 /nfs/dbraw/zinc/20/10/68/363201068.db2.gz ZOLFZRSJKSNNNB-WDEREUQCSA-N 2 0 240.351 0.178 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000638854069 353025325 /nfs/dbraw/zinc/02/53/25/353025325.db2.gz NEQOSNKSCDQFSD-NWDGAFQWSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638845239 353025687 /nfs/dbraw/zinc/02/56/87/353025687.db2.gz BSJCWXBKTJILNM-JTQLQIEISA-N 2 0 247.342 0.556 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000627069386 363201243 /nfs/dbraw/zinc/20/12/43/363201243.db2.gz NOQBZZIFPSOQRX-HBNTYKKESA-N 2 0 240.351 0.036 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638816383 352997300 /nfs/dbraw/zinc/99/73/00/352997300.db2.gz RRMOCINLBFOWJP-UWVGGRQHSA-N 2 0 213.325 0.454 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638818599 352998684 /nfs/dbraw/zinc/99/86/84/352998684.db2.gz ZNPGCWPYNMXPSM-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638820230 353000568 /nfs/dbraw/zinc/00/05/68/353000568.db2.gz SWFQCCNHEBTSFH-WDEREUQCSA-N 2 0 227.352 0.844 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638819835 353000598 /nfs/dbraw/zinc/00/05/98/353000598.db2.gz NRAIMCVVWQRPPE-VHSXEESVSA-N 2 0 213.325 0.454 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)CCC2C[NH2+]C2)C1 ZINC000638826529 353002020 /nfs/dbraw/zinc/00/20/20/353002020.db2.gz DXZQVDVKWVBGLR-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)C2([NH3+])CC2)C1 ZINC000638821838 353002750 /nfs/dbraw/zinc/00/27/50/353002750.db2.gz BKUJQNGRJUBGIB-VIFPVBQESA-N 2 0 211.309 0.208 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638823454 353004258 /nfs/dbraw/zinc/00/42/58/353004258.db2.gz RRMOCINLBFOWJP-ZJUUUORDSA-N 2 0 213.325 0.454 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000638823020 353004334 /nfs/dbraw/zinc/00/43/34/353004334.db2.gz OGALVBWIIKQNNF-VXGBXAGGSA-N 2 0 239.363 0.858 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000638823019 353004415 /nfs/dbraw/zinc/00/44/15/353004415.db2.gz OGALVBWIIKQNNF-RYUDHWBXSA-N 2 0 239.363 0.858 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000638823741 353005004 /nfs/dbraw/zinc/00/50/04/353005004.db2.gz WHDBZTAMTAQZEV-LLVKDONJSA-N 2 0 239.363 0.988 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000638823742 353005097 /nfs/dbraw/zinc/00/50/97/353005097.db2.gz WHDBZTAMTAQZEV-NSHDSACASA-N 2 0 239.363 0.988 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638823541 353005191 /nfs/dbraw/zinc/00/51/91/353005191.db2.gz VAVFRAWKENVIRM-JTQLQIEISA-N 2 0 227.352 0.701 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638824721 353005880 /nfs/dbraw/zinc/00/58/80/353005880.db2.gz VEYQEHPJMJCHJN-SNVBAGLBSA-N 2 0 227.352 0.844 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916047 353076789 /nfs/dbraw/zinc/07/67/89/353076789.db2.gz VWTYFVJQSPEKON-GMXVVIOVSA-N 2 0 245.326 0.568 20 0 BCADRP CC(C)([NH3+])C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000261573379 535196897 /nfs/dbraw/zinc/19/68/97/535196897.db2.gz ITEQIEQPVMHNSS-SECBINFHSA-N 2 0 213.325 0.311 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H](C)[NH3+] ZINC000638915481 353074676 /nfs/dbraw/zinc/07/46/76/353074676.db2.gz RHAQWCYQHFEZOO-XWLWVQCSSA-N 2 0 225.336 0.179 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H](C)[NH3+] ZINC000638915479 353074901 /nfs/dbraw/zinc/07/49/01/353074901.db2.gz RHAQWCYQHFEZOO-VPOLOUISSA-N 2 0 225.336 0.179 20 0 BCADRP CC(C)([NH3+])C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638873820 353043826 /nfs/dbraw/zinc/04/38/26/353043826.db2.gz LZZJFRWKNPIDFS-LBPRGKRZSA-N 2 0 249.358 0.800 20 0 BCADRP CCN(CC[NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000627070585 363202033 /nfs/dbraw/zinc/20/20/33/363202033.db2.gz BZQNTBGUZNPQHE-UHFFFAOYSA-N 2 0 230.356 0.365 20 0 BCADRP C[NH+](C)CCOCCNCc1cocn1 ZINC000336756604 188000495 /nfs/dbraw/zinc/00/04/95/188000495.db2.gz ITSUBUZWSAGJLC-UHFFFAOYSA-N 2 0 213.281 0.342 20 0 BCADRP O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917336 353081124 /nfs/dbraw/zinc/08/11/24/353081124.db2.gz OGFRWDBAWGWURJ-FIQHERPVSA-N 2 0 235.331 0.090 20 0 BCADRP O=C(N1C[C@@H]2C[C@H]1C[NH2+]2)C12CCC[NH+](CCC1)C2 ZINC000638918812 353083025 /nfs/dbraw/zinc/08/30/25/353083025.db2.gz VIBRYDBXRJPSCJ-RYUDHWBXSA-N 2 0 249.358 0.435 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638918489 353083114 /nfs/dbraw/zinc/08/31/14/353083114.db2.gz RPMAPKFYLLACDV-IUCAKERBSA-N 2 0 235.287 0.233 20 0 BCADRP [NH3+][C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000638919077 353084003 /nfs/dbraw/zinc/08/40/03/353084003.db2.gz XJBKRIJZEABCSJ-FRRDWIJNSA-N 2 0 245.326 0.649 20 0 BCADRP C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]C1 ZINC000638926159 353086738 /nfs/dbraw/zinc/08/67/38/353086738.db2.gz WCPXEXQOEAQEMC-LOWVWBTDSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000638928177 353087928 /nfs/dbraw/zinc/08/79/28/353087928.db2.gz FWSCBODIHZTDHB-RCWTZXSCSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cccc2c1C[NH2+]C2 ZINC000638929792 353090325 /nfs/dbraw/zinc/09/03/25/353090325.db2.gz HTBJGPHDRDVXEE-KOLCDFICSA-N 2 0 245.326 0.852 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000638933174 353094851 /nfs/dbraw/zinc/09/48/51/353094851.db2.gz WZWUQGQJXVYEBR-VLEAKVRGSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000638933378 353095647 /nfs/dbraw/zinc/09/56/47/353095647.db2.gz BSOZZXFQZMZNIW-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000638934042 353096855 /nfs/dbraw/zinc/09/68/55/353096855.db2.gz FGABFJBEXXNFON-IWSPIJDZSA-N 2 0 247.289 0.179 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000638934044 353096910 /nfs/dbraw/zinc/09/69/10/353096910.db2.gz FGABFJBEXXNFON-VGMNWLOBSA-N 2 0 247.289 0.179 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638928507 353098022 /nfs/dbraw/zinc/09/80/22/353098022.db2.gz AGHUKFPTLGUBKZ-WOPDTQHZSA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000353133899 188007554 /nfs/dbraw/zinc/00/75/54/188007554.db2.gz UVPXJUGNCKOGFZ-QJPTWQEYSA-N 2 0 241.379 0.720 20 0 BCADRP [NH3+]CC1(CC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000638939981 353124885 /nfs/dbraw/zinc/12/48/85/353124885.db2.gz OVUNXNOAIUDXPH-AOOOYVTPSA-N 2 0 223.320 0.078 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638941950 353134518 /nfs/dbraw/zinc/13/45/18/353134518.db2.gz AKJBODOBBSYJOR-BJDJZHNGSA-N 2 0 241.379 0.994 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C2([NH3+])CC2)CC1 ZINC000638942259 353135514 /nfs/dbraw/zinc/13/55/14/353135514.db2.gz FSNQZLAQATWLEO-KYZUINATSA-N 2 0 211.309 0.111 20 0 BCADRP CC(C)C[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000040831232 188042634 /nfs/dbraw/zinc/04/26/34/188042634.db2.gz VJRSWMSLFTUGKH-NEPJUHHUSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000049575442 188046308 /nfs/dbraw/zinc/04/63/08/188046308.db2.gz OLNNWSVGLFXAIT-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CC2)[C@@H](C)C[NH2+]1 ZINC000332147134 188053550 /nfs/dbraw/zinc/05/35/50/188053550.db2.gz NRZQIDDNPCYIND-YWVKMMECSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)C[NH2+]1 ZINC000336519612 188057008 /nfs/dbraw/zinc/05/70/08/188057008.db2.gz LUUUHMISXXZGEF-MNOVXSKESA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)([NH3+])CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000335358516 535202425 /nfs/dbraw/zinc/20/24/25/535202425.db2.gz KFCCVOVXKUPUPK-SECBINFHSA-N 2 0 228.340 0.247 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CC1CC[NH2+]CC1 ZINC000638945856 353147699 /nfs/dbraw/zinc/14/76/99/353147699.db2.gz IYCASTUGTPQTKL-MWLCHTKSSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000638950034 353155279 /nfs/dbraw/zinc/15/52/79/353155279.db2.gz HVAXQMFNIMPBGO-KKOKHZNYSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638966557 353175037 /nfs/dbraw/zinc/17/50/37/353175037.db2.gz DHMHEVFKXBHTHN-GWOFURMSSA-N 2 0 227.352 0.603 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638967203 353175154 /nfs/dbraw/zinc/17/51/54/353175154.db2.gz KBVNTXKVEQFNJU-GMTAPVOTSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638966559 353175262 /nfs/dbraw/zinc/17/52/62/353175262.db2.gz DHMHEVFKXBHTHN-NAKRPEOUSA-N 2 0 227.352 0.603 20 0 BCADRP CCC1([NH+](C)C)CCN(C(=O)CC[NH2+]C)CC1 ZINC000638979572 353193150 /nfs/dbraw/zinc/19/31/50/353193150.db2.gz FQNMZHIGGWYUKA-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP [NH3+]CCCCC(=O)NC1(C[NH3+])CCCCC1 ZINC000638996587 353232685 /nfs/dbraw/zinc/23/26/85/353232685.db2.gz KRSGAOICBAKNFO-UHFFFAOYSA-N 2 0 227.352 0.893 20 0 BCADRP [NH3+]CC1(NC(=O)[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC000638996603 353233026 /nfs/dbraw/zinc/23/30/26/353233026.db2.gz LJAGIIJULXQNGO-LLVKDONJSA-N 2 0 239.363 0.764 20 0 BCADRP [NH3+]CC1(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CCCCC1 ZINC000638999116 353245868 /nfs/dbraw/zinc/24/58/68/353245868.db2.gz WUCPHXARZJFCHI-AOOOYVTPSA-N 2 0 225.336 0.502 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC1(C[NH3+])CCCCC1 ZINC000639001358 353249493 /nfs/dbraw/zinc/24/94/93/353249493.db2.gz JMGZMXLSQZOAAA-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC1(C[NH3+])CCCCC1 ZINC000638996202 353239863 /nfs/dbraw/zinc/23/98/63/353239863.db2.gz BOHSZEMPPMBMSC-SNVBAGLBSA-N 2 0 227.352 0.892 20 0 BCADRP [NH3+]CC1(NC(=O)CC2([NH3+])CC2)CCCCC1 ZINC000638996871 353242508 /nfs/dbraw/zinc/24/25/08/353242508.db2.gz DHIGNDOZDGEBFX-UHFFFAOYSA-N 2 0 225.336 0.646 20 0 BCADRP CC(C)([NH3+])CC(=O)NC1(C[NH3+])CCCCC1 ZINC000639000739 353244540 /nfs/dbraw/zinc/24/45/40/353244540.db2.gz BWCJCOFBEZCAGL-UHFFFAOYSA-N 2 0 227.352 0.892 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639022686 353278427 /nfs/dbraw/zinc/27/84/27/353278427.db2.gz PUEQJPDBAHVGLV-OPRDCNLKSA-N 2 0 213.325 0.356 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639021268 353279079 /nfs/dbraw/zinc/27/90/79/353279079.db2.gz GEVYUZODZZZQRQ-DBIOUOCHSA-N 2 0 227.352 0.746 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000250073312 353267697 /nfs/dbraw/zinc/26/76/97/353267697.db2.gz OGYNKTKQUGMLEH-NQBHXWOUSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+]CCCCC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639020946 353279287 /nfs/dbraw/zinc/27/92/87/353279287.db2.gz GNMINORPCVQJLH-RYUDHWBXSA-N 2 0 239.363 0.716 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)C[NH3+])C1 ZINC000250208401 353269495 /nfs/dbraw/zinc/26/94/95/353269495.db2.gz CGJLNBXIIXGZMU-NXEZZACHSA-N 2 0 213.325 0.039 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639021903 353280204 /nfs/dbraw/zinc/28/02/04/353280204.db2.gz OIHVYZAFFDUIJS-GARJFASQSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N(CC[NH+](C)C)C1CC1 ZINC000356285902 188238670 /nfs/dbraw/zinc/23/86/70/188238670.db2.gz XBRNVFHXSPNNLG-UHFFFAOYSA-N 2 0 241.379 0.879 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000357412283 188239932 /nfs/dbraw/zinc/23/99/32/188239932.db2.gz KUMCHVKIFFQNRC-VXGBXAGGSA-N 2 0 241.379 0.926 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639028262 353288965 /nfs/dbraw/zinc/28/89/65/353288965.db2.gz XSZIJIUNLAFHQC-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000368009646 188245991 /nfs/dbraw/zinc/24/59/91/188245991.db2.gz XUICQUKRXVLETN-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000368114798 188247246 /nfs/dbraw/zinc/24/72/46/188247246.db2.gz JNVDADZISCSPGR-MXWKQRLJSA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368101120 188247313 /nfs/dbraw/zinc/24/73/13/188247313.db2.gz SMRUQXJRQYHNGH-TUAOUCFPSA-N 2 0 239.363 0.428 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000373626264 188248864 /nfs/dbraw/zinc/24/88/64/188248864.db2.gz YPIGDOWKKOAILB-GWCFXTLKSA-N 2 0 239.363 0.844 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000372119027 188249377 /nfs/dbraw/zinc/24/93/77/188249377.db2.gz UFAJKKKWVWSGSJ-NWDGAFQWSA-N 2 0 245.342 0.568 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)C2([NH3+])CCC2)CC1 ZINC000639030525 353292179 /nfs/dbraw/zinc/29/21/79/353292179.db2.gz GYBPUSCGLCUMRX-KYZUINATSA-N 2 0 211.309 0.254 20 0 BCADRP Cn1ccnc1CC1CC[NH+](CC(N)=O)CC1 ZINC000105875687 188254503 /nfs/dbraw/zinc/25/45/03/188254503.db2.gz AXBCVZNDNWGSJE-UHFFFAOYSA-N 2 0 236.319 0.160 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000037484911 188254875 /nfs/dbraw/zinc/25/48/75/188254875.db2.gz ZUKCLACBZNMPEL-GHMZBOCLSA-N 2 0 227.352 0.428 20 0 BCADRP C(C[N@@H+]1[C@H]2CC[C@@H]1CCC2)N1CC[NH2+]CC1 ZINC000335653184 188256551 /nfs/dbraw/zinc/25/65/51/188256551.db2.gz WMNYAFILCZSFMZ-BETUJISGSA-N 2 0 223.364 0.909 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cnccn1 ZINC000341889402 188257243 /nfs/dbraw/zinc/25/72/43/188257243.db2.gz RPKSFMHKWCQLCW-AAEUAGOBSA-N 2 0 234.347 0.949 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)O ZINC000126489624 188258239 /nfs/dbraw/zinc/25/82/39/188258239.db2.gz GAHCYEJXHNQUQS-UWVGGRQHSA-N 2 0 200.326 0.687 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000251955904 353293657 /nfs/dbraw/zinc/29/36/57/353293657.db2.gz VCLGQFZCLYCOTD-QJPTWQEYSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000165300810 353294300 /nfs/dbraw/zinc/29/43/00/353294300.db2.gz VRRSODKSVUBIRP-GARJFASQSA-N 2 0 225.336 0.276 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)[C@@H](C)[NH3+])CC1 ZINC000037041696 188279863 /nfs/dbraw/zinc/27/98/63/188279863.db2.gz POHUAUUGHCAMTM-SECBINFHSA-N 2 0 213.325 0.323 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639031007 353298483 /nfs/dbraw/zinc/29/84/83/353298483.db2.gz NLVFJQSAWCSDQC-DDHJBXDOSA-N 2 0 239.363 0.761 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639031006 353298615 /nfs/dbraw/zinc/29/86/15/353298615.db2.gz NLVFJQSAWCSDQC-BJDJZHNGSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639031345 353299316 /nfs/dbraw/zinc/29/93/16/353299316.db2.gz RGQCVUXESVUJPX-XKNYDFJKSA-N 2 0 213.325 0.356 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000252373582 353299768 /nfs/dbraw/zinc/29/97/68/353299768.db2.gz SZHOSNJOPBWCLC-GRYCIOLGSA-N 2 0 237.347 0.481 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCC[NH2+]1 ZINC000252392135 353299947 /nfs/dbraw/zinc/29/99/47/353299947.db2.gz SZHOSNJOPBWCLC-IJLUTSLNSA-N 2 0 237.347 0.481 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000639031857 353301245 /nfs/dbraw/zinc/30/12/45/353301245.db2.gz YFWSYMKTVBYFMX-MRBYEJRBSA-N 2 0 237.347 0.372 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)[C@H](C)[NH3+] ZINC000639032272 353302173 /nfs/dbraw/zinc/30/21/73/353302173.db2.gz PUULNWYJTRDROG-BJDJZHNGSA-N 2 0 241.379 0.992 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639033017 353304252 /nfs/dbraw/zinc/30/42/52/353304252.db2.gz CCCRWSHGWAYOHK-SRVKXCTJSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@H]1C[NH+](C)C)[C@H](C)[NH3+] ZINC000252857655 353312206 /nfs/dbraw/zinc/31/22/06/353312206.db2.gz LLOUMQKGFNBOFO-VWYCJHECSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000393796925 353318388 /nfs/dbraw/zinc/31/83/88/353318388.db2.gz KFILNVWEQBJBLJ-VHSXEESVSA-N 2 0 213.325 0.454 20 0 BCADRP C[C@@H](C(=O)NCC[NH+]1CCCCC1)[C@H](C)[NH3+] ZINC000165381313 353326340 /nfs/dbraw/zinc/32/63/40/353326340.db2.gz NAWJRUGVSFKBAI-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000253232421 353327029 /nfs/dbraw/zinc/32/70/29/353327029.db2.gz FERDSJRTCNHISX-ZDCRXTMVSA-N 2 0 227.352 0.474 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639043784 353329015 /nfs/dbraw/zinc/32/90/15/353329015.db2.gz ZFBIUNRZXGDCRR-XYPYZODXSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+]C[C@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000563713866 353358338 /nfs/dbraw/zinc/35/83/38/353358338.db2.gz MXKFWNPVZOLCPV-RYUDHWBXSA-N 2 0 227.352 0.036 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000336687821 188341556 /nfs/dbraw/zinc/34/15/56/188341556.db2.gz VGEYMCOEIOKTMF-UWVGGRQHSA-N 2 0 213.325 0.086 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CCCC[NH2+]1 ZINC000132020078 353374554 /nfs/dbraw/zinc/37/45/54/353374554.db2.gz QLSPJOBNKIFZFP-WDEREUQCSA-N 2 0 227.352 0.762 20 0 BCADRP CC(C)[C@H](CCO)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000310120317 188347458 /nfs/dbraw/zinc/34/74/58/188347458.db2.gz DLSKYBWBKXYZQF-OLZOCXBDSA-N 2 0 244.379 0.438 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)N[C@H](C[NH3+])C2CC2)C[NH2+]1 ZINC000627079216 363223743 /nfs/dbraw/zinc/22/37/43/363223743.db2.gz UVWGKXSQDUGJHN-DVVUODLYSA-N 2 0 240.351 0.163 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000236783714 188367475 /nfs/dbraw/zinc/36/74/75/188367475.db2.gz WGDRWWUYLKZHQC-FOGDFJRCSA-N 2 0 239.363 0.711 20 0 BCADRP CO[C@@H](C)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639091141 353452299 /nfs/dbraw/zinc/45/22/99/353452299.db2.gz MHAQSODLPLEGAL-NSHDSACASA-N 2 0 244.379 0.846 20 0 BCADRP COCC[N@H+](C)CCCN[C@@H]1C[NH+](C)C[C@H]1C ZINC000343301766 353467267 /nfs/dbraw/zinc/46/72/67/353467267.db2.gz JFKLYYRADOPARY-CHWSQXEVSA-N 2 0 243.395 0.494 20 0 BCADRP COCCOC[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000572497112 324134097 /nfs/dbraw/zinc/13/40/97/324134097.db2.gz BZAZYVOBCBQIMJ-QJPTWQEYSA-N 2 0 230.352 0.897 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000295334313 188393645 /nfs/dbraw/zinc/39/36/45/188393645.db2.gz ZTSCDYQIQZWYBZ-CHWSQXEVSA-N 2 0 249.358 0.656 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627082088 363231810 /nfs/dbraw/zinc/23/18/10/363231810.db2.gz BKFQNEINSACMKO-KXUCPTDWSA-N 2 0 228.340 0.163 20 0 BCADRP C[NH2+]CCC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000574986412 353513923 /nfs/dbraw/zinc/51/39/23/353513923.db2.gz ILVKXRTZEVNHHF-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1CCCO[C@H](C[NH3+])C1 ZINC000331932532 188409507 /nfs/dbraw/zinc/40/95/07/188409507.db2.gz HSFOJIBNYISEDS-VXGBXAGGSA-N 2 0 229.368 0.409 20 0 BCADRP COCCC[N@H+](C)CCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000192120244 353543891 /nfs/dbraw/zinc/54/38/91/353543891.db2.gz KSANWLZMZJMFJR-QWRGUYRKSA-N 2 0 245.367 0.054 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)NC[C@H]([NH3+])C2CC2)C[NH2+]1 ZINC000627082585 363233461 /nfs/dbraw/zinc/23/34/61/363233461.db2.gz HOQOTLCYHCISRN-MIMYLULJSA-N 2 0 240.351 0.163 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1([NH3+])CCC1 ZINC000627084296 363233716 /nfs/dbraw/zinc/23/37/16/363233716.db2.gz RMOQHZLDAZRHBX-VHSXEESVSA-N 2 0 240.351 0.308 20 0 BCADRP COCCC[N@H+](C)CCNC(=O)CC[C@@H](C)[NH3+] ZINC000193318946 353583765 /nfs/dbraw/zinc/58/37/65/353583765.db2.gz KKDMKZHVNADOTN-LLVKDONJSA-N 2 0 245.367 0.198 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000193300704 353589977 /nfs/dbraw/zinc/58/99/77/353589977.db2.gz JZAVKZAMWUQQRZ-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP CC[N@H+](CCNC(=O)CC[C@H](C)[NH3+])C1CC1 ZINC000193309283 353590045 /nfs/dbraw/zinc/59/00/45/353590045.db2.gz NEFAUEYDEDOURP-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000193523839 353591242 /nfs/dbraw/zinc/59/12/42/353591242.db2.gz PMZSSKOGAWAEDK-USZNOCQGSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000577867653 366091390 /nfs/dbraw/zinc/09/13/90/366091390.db2.gz RUNOJDFJHGCRCB-GMTAPVOTSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000577867655 366091435 /nfs/dbraw/zinc/09/14/35/366091435.db2.gz RUNOJDFJHGCRCB-OUAUKWLOSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000627086543 363239823 /nfs/dbraw/zinc/23/98/23/363239823.db2.gz VJTOOPZJNBQWNQ-LMLFDSFASA-N 2 0 240.351 0.034 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000627088878 363242642 /nfs/dbraw/zinc/24/26/42/363242642.db2.gz KHSGUAOCMQOVKJ-ZJUUUORDSA-N 2 0 228.340 0.117 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000627088380 363241515 /nfs/dbraw/zinc/24/15/15/363241515.db2.gz QTQMFGOXXCYQDK-VHSXEESVSA-N 2 0 228.340 0.247 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000627088378 363241585 /nfs/dbraw/zinc/24/15/85/363241585.db2.gz QTQMFGOXXCYQDK-NXEZZACHSA-N 2 0 228.340 0.247 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000627090532 363243604 /nfs/dbraw/zinc/24/36/04/363243604.db2.gz WRYJKJVXONUXTO-VPOLOUISSA-N 2 0 240.351 0.034 20 0 BCADRP CC[C@H](O)CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000398467490 363246048 /nfs/dbraw/zinc/24/60/48/363246048.db2.gz COFIXQMEHMKRTH-QWHCGFSZSA-N 2 0 244.379 0.584 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000627092758 363251055 /nfs/dbraw/zinc/25/10/55/363251055.db2.gz FOUKRHGHIDHLBJ-JTQLQIEISA-N 2 0 230.356 0.494 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000083835294 353702973 /nfs/dbraw/zinc/70/29/73/353702973.db2.gz WGISDMCTKVQNQF-SNVBAGLBSA-N 2 0 225.336 0.324 20 0 BCADRP O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2CC1CC[NH2+]CC1 ZINC000232289227 353706160 /nfs/dbraw/zinc/70/61/60/353706160.db2.gz MLUKXMKNIPRWPU-VXGBXAGGSA-N 2 0 237.347 0.196 20 0 BCADRP CC[C@@H](C(=O)NC1CC([NH+](C)C)C1)[NH+](C)C ZINC000622009026 370661112 /nfs/dbraw/zinc/66/11/12/370661112.db2.gz HFXRIPPENOBMPG-ILDUYXDCSA-N 2 0 227.352 0.535 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627098975 363257151 /nfs/dbraw/zinc/25/71/51/363257151.db2.gz ZOGAJPBKWMYLGI-KYXWUPHJSA-N 2 0 228.340 0.162 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000627096887 363257670 /nfs/dbraw/zinc/25/76/70/363257670.db2.gz FOCFDDOHPOSSAH-BBBLOLIVSA-N 2 0 228.340 0.116 20 0 BCADRP CCC[NH+](CCC)CCCNC(=O)[C@@H](C)[NH3+] ZINC000165834111 353739068 /nfs/dbraw/zinc/73/90/68/353739068.db2.gz JSMNNYPRGXYVIA-LLVKDONJSA-N 2 0 229.368 0.962 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000627102460 363261416 /nfs/dbraw/zinc/26/14/16/363261416.db2.gz NCOZJEAKQFEEET-NXEZZACHSA-N 2 0 228.340 0.104 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000627106040 363264999 /nfs/dbraw/zinc/26/49/99/363264999.db2.gz FWCFRZOSSFQZJS-MXWKQRLJSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000627106037 363264459 /nfs/dbraw/zinc/26/44/59/363264459.db2.gz FWCFRZOSSFQZJS-GMTAPVOTSA-N 2 0 242.367 0.506 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000639154228 353857924 /nfs/dbraw/zinc/85/79/24/353857924.db2.gz HRVJVPZAOZOCQA-LLVKDONJSA-N 2 0 242.367 0.427 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000178406556 366121890 /nfs/dbraw/zinc/12/18/90/366121890.db2.gz YLGYDWKFSGKGBC-GFCCVEGCSA-N 2 0 233.315 0.627 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000178406544 366122244 /nfs/dbraw/zinc/12/22/44/366122244.db2.gz YLGYDWKFSGKGBC-LBPRGKRZSA-N 2 0 233.315 0.627 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000343410175 353878868 /nfs/dbraw/zinc/87/88/68/353878868.db2.gz BGBHIFUYWGKXGI-VWYCJHECSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000343435236 353886261 /nfs/dbraw/zinc/88/62/61/353886261.db2.gz BJIZOZFQYQFSAK-RHYQMDGZSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000343437016 353886306 /nfs/dbraw/zinc/88/63/06/353886306.db2.gz MZCVDMQWJTUQIA-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000343442083 353889258 /nfs/dbraw/zinc/88/92/58/353889258.db2.gz RMBWKUFHDRSXQH-DCAQKATOSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@H](C)C[NH2+]1 ZINC000343446998 353891003 /nfs/dbraw/zinc/89/10/03/353891003.db2.gz YVRKKQFSIVXJAJ-DDHJBXDOSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627106245 363265949 /nfs/dbraw/zinc/26/59/49/363265949.db2.gz GVXUIPJBTHFWCN-ZRUFSTJUSA-N 2 0 242.367 0.552 20 0 BCADRP CCN(CC[NH3+])C(=O)NCCC1(C[NH3+])CC1 ZINC000627109064 363266873 /nfs/dbraw/zinc/26/68/73/363266873.db2.gz CHCRBMZUUDRKSD-UHFFFAOYSA-N 2 0 228.340 0.106 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000343497546 353913073 /nfs/dbraw/zinc/91/30/73/353913073.db2.gz DSDDBRVTALCBFG-KXNHARMFSA-N 2 0 239.363 0.489 20 0 BCADRP [NH3+]C[C@@H](C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000178454356 366125707 /nfs/dbraw/zinc/12/57/07/366125707.db2.gz QMLHQFXUVKTPHK-NWDGAFQWSA-N 2 0 233.315 0.207 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000343660208 353943190 /nfs/dbraw/zinc/94/31/90/353943190.db2.gz LWIZWXRTVUGVAI-CKYFFXLPSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000343615863 353945736 /nfs/dbraw/zinc/94/57/36/353945736.db2.gz GGBHUZDPYZJEPB-XZUYRWCXSA-N 2 0 239.363 0.842 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000343468942 353899241 /nfs/dbraw/zinc/89/92/41/353899241.db2.gz ARPCBPJVNQLKCZ-OUAUKWLOSA-N 2 0 227.352 0.489 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@H]([NH3+])[C@H]2C)CCC[NH2+]1 ZINC000343687691 353964479 /nfs/dbraw/zinc/96/44/79/353964479.db2.gz RZJLHORQNFJZQD-JFGNBEQYSA-N 2 0 225.336 0.467 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CCCNC(C)=O)[C@H](C)C1 ZINC000178513713 366133063 /nfs/dbraw/zinc/13/30/63/366133063.db2.gz UYHGTOUDVJERSL-YPMHNXCESA-N 2 0 241.379 0.833 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000627118925 363284668 /nfs/dbraw/zinc/28/46/68/363284668.db2.gz GSDAZSGJYJDVLG-SNVBAGLBSA-N 2 0 240.351 0.119 20 0 BCADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)CC1CC[NH2+]CC1 ZINC000343642499 353952083 /nfs/dbraw/zinc/95/20/83/353952083.db2.gz OXLFBGYEUTUOIP-GXSJLCMTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000343648312 353953533 /nfs/dbraw/zinc/95/35/33/353953533.db2.gz VNHLPWCEGAGZJG-PRULPYPASA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1CCn2ccnc2C1 ZINC000623176377 354011021 /nfs/dbraw/zinc/01/10/21/354011021.db2.gz XTMSAFMCPDXKSU-VIFPVBQESA-N 2 0 236.319 0.299 20 0 BCADRP CC[C@]1(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CCC[NH2+]1 ZINC000343781051 354017300 /nfs/dbraw/zinc/01/73/00/354017300.db2.gz AESUMEBUEQFMSF-DMDPSCGWSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)C[NH2+]C ZINC000627118631 363286437 /nfs/dbraw/zinc/28/64/37/363286437.db2.gz FWHVVSMOBGYJAV-KXUCPTDWSA-N 2 0 228.340 0.034 20 0 BCADRP CO[C@H](C)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344024446 354085384 /nfs/dbraw/zinc/08/53/84/354085384.db2.gz IKYPSYFGQFTQKY-CYBMUJFWSA-N 2 0 245.411 0.837 20 0 BCADRP C[C@@]([NH3+])(C(=O)NC1CC[NH2+]CC1)c1ccccc1 ZINC000334571021 354099143 /nfs/dbraw/zinc/09/91/43/354099143.db2.gz JMTKLZYGIRCJRT-AWEZNQCLSA-N 2 0 247.342 0.729 20 0 BCADRP C[C@]([NH3+])(C(=O)NC1CC[NH2+]CC1)c1ccccc1 ZINC000334571022 354099489 /nfs/dbraw/zinc/09/94/89/354099489.db2.gz JMTKLZYGIRCJRT-CQSZACIVSA-N 2 0 247.342 0.729 20 0 BCADRP CC(=O)N1CC[N@H+](CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000334572662 354101422 /nfs/dbraw/zinc/10/14/22/354101422.db2.gz IPBJLFVJPTVNPZ-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP COCC[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344045574 354119504 /nfs/dbraw/zinc/11/95/04/354119504.db2.gz JVIAOHIWAWDHFP-UHFFFAOYSA-N 2 0 231.384 0.448 20 0 BCADRP C[C@H]1C[C@H](C(=O)NCC[NH+](C)C)CC[N@@H+]1C ZINC000344182382 354176117 /nfs/dbraw/zinc/17/61/17/354176117.db2.gz HKZXGRTXHIPVSQ-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449661528 201997266 /nfs/dbraw/zinc/99/72/66/201997266.db2.gz CKFWCSWJHWDHIX-HLTSFMKQSA-N 2 0 249.305 0.473 20 0 BCADRP CN(C)C(=O)CCNCC[NH2+]C(C)(C)C ZINC000230972429 363332609 /nfs/dbraw/zinc/33/26/09/363332609.db2.gz BAQOULJODCQRJE-UHFFFAOYSA-N 2 0 215.341 0.442 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000449709632 202006679 /nfs/dbraw/zinc/00/66/79/202006679.db2.gz ZTEOBXXIYQOUNJ-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000449727543 202008342 /nfs/dbraw/zinc/00/83/42/202008342.db2.gz QMUWSLBUSWBUBM-GMXVVIOVSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CC[C@H](C[NH3+])C1)[NH+](C)C ZINC000449723772 202009611 /nfs/dbraw/zinc/00/96/11/202009611.db2.gz MEJWKWBDAFGUBC-SRVKXCTJSA-N 2 0 241.379 0.816 20 0 BCADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000334581125 354198852 /nfs/dbraw/zinc/19/88/52/354198852.db2.gz LXYXRPLUQMIVPS-DTWKUNHWSA-N 2 0 247.289 0.242 20 0 BCADRP O=C([C@H]1CCC[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000334590011 354219682 /nfs/dbraw/zinc/21/96/82/354219682.db2.gz JNYHYQPTXLGJEM-AAEUAGOBSA-N 2 0 237.347 0.198 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449750834 202019915 /nfs/dbraw/zinc/01/99/15/202019915.db2.gz WTPASDNGZHJORG-IUCAKERBSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@H](CN1CCOCC1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000578013524 366180226 /nfs/dbraw/zinc/18/02/26/366180226.db2.gz RJWSQKWNLQNJHU-OLZOCXBDSA-N 2 0 241.379 0.378 20 0 BCADRP [NH3+]CCNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000334685197 354431455 /nfs/dbraw/zinc/43/14/55/354431455.db2.gz PLBQPUKWQLHQDA-UHFFFAOYSA-N 2 0 233.315 0.063 20 0 BCADRP CC1CC[NH+](CC(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000334659751 354456521 /nfs/dbraw/zinc/45/65/21/354456521.db2.gz CBKCNMAUOQZRPR-GFCCVEGCSA-N 2 0 239.363 0.668 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000334659605 354456690 /nfs/dbraw/zinc/45/66/90/354456690.db2.gz AYNLVZRDFSMIDZ-NSHDSACASA-N 2 0 237.347 0.565 20 0 BCADRP CC1(C)CN(C(=O)[C@@H]([NH3+])C2CCC2)CC[NH2+]1 ZINC000334659831 354456928 /nfs/dbraw/zinc/45/69/28/354456928.db2.gz CUOLZBOZMWYXBQ-JTQLQIEISA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)CC2CC[NH2+]CC2)[C@H]1C ZINC000334662477 354462868 /nfs/dbraw/zinc/46/28/68/354462868.db2.gz DQDFFUVZTHZQOH-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000334707308 354501572 /nfs/dbraw/zinc/50/15/72/354501572.db2.gz BXMZXFFZEFNONJ-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP CC(C)N1CCC[C@@H]([N@@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000334802079 354557823 /nfs/dbraw/zinc/55/78/23/354557823.db2.gz XADLOOZFSZESLK-VXGBXAGGSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)NCC[NH+](C)C)CCC[N@@H+]1C ZINC000345732455 354746578 /nfs/dbraw/zinc/74/65/78/354746578.db2.gz AYUVPQWPJZYDKX-MNOVXSKESA-N 2 0 242.367 0.330 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000627158709 363398628 /nfs/dbraw/zinc/39/86/28/363398628.db2.gz CBBALDMXWDQLOX-GARJFASQSA-N 2 0 240.351 0.130 20 0 BCADRP CC[C@@H](C(=O)NCCOCC[NH+](C)C)[NH+](C)C ZINC000346004739 354837857 /nfs/dbraw/zinc/83/78/57/354837857.db2.gz LGFNSHYBJQSJJD-NSHDSACASA-N 2 0 245.367 0.021 20 0 BCADRP CC(C)([NH3+])CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000335145262 354853666 /nfs/dbraw/zinc/85/36/66/354853666.db2.gz GPMACDBKNMHLAB-UHFFFAOYSA-N 2 0 232.287 0.801 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000235469378 363445492 /nfs/dbraw/zinc/44/54/92/363445492.db2.gz CYKDOZDUCXFPPU-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000449747992 202020927 /nfs/dbraw/zinc/02/09/27/202020927.db2.gz AFCRBKREIXDHBL-QWRGUYRKSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449750352 202020981 /nfs/dbraw/zinc/02/09/81/202020981.db2.gz IRYVKFHOODGZJC-PSASIEDQSA-N 2 0 225.336 0.384 20 0 BCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[NH3+] ZINC000166058619 354951576 /nfs/dbraw/zinc/95/15/76/354951576.db2.gz KBOGKBOGARESPI-OUAUKWLOSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C[NH3+] ZINC000166058817 354953537 /nfs/dbraw/zinc/95/35/37/354953537.db2.gz KBOGKBOGARESPI-GMTAPVOTSA-N 2 0 227.352 0.428 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC000346550848 354984995 /nfs/dbraw/zinc/98/49/95/354984995.db2.gz RTFBIKUQDWPLLJ-NSHDSACASA-N 2 0 225.336 0.291 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000166066202 355005828 /nfs/dbraw/zinc/00/58/28/355005828.db2.gz BQHCATAPDPDXBB-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000166067503 355012048 /nfs/dbraw/zinc/01/20/48/355012048.db2.gz BQHCATAPDPDXBB-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP Cc1cnc(C[NH+]2CCC(C[NH3+])CC2)cn1 ZINC000346691297 355074896 /nfs/dbraw/zinc/07/48/96/355074896.db2.gz VTBTXCHOKNEDFO-UHFFFAOYSA-N 2 0 220.320 0.956 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000335183219 355081285 /nfs/dbraw/zinc/08/12/85/355081285.db2.gz DFXIFKRMUGCTDY-WDEREUQCSA-N 2 0 237.347 0.326 20 0 BCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000335220975 355061218 /nfs/dbraw/zinc/06/12/18/355061218.db2.gz YGOSXLROQKTOOX-RYUDHWBXSA-N 2 0 239.363 0.633 20 0 BCADRP COCC[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346814664 355122691 /nfs/dbraw/zinc/12/26/91/355122691.db2.gz CCDGVXNENNSJDJ-CYBMUJFWSA-N 2 0 241.379 0.250 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000040503603 358493955 /nfs/dbraw/zinc/49/39/55/358493955.db2.gz GHTHKXZUQYQZOI-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP COC(=O)[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346830206 355128933 /nfs/dbraw/zinc/12/89/33/355128933.db2.gz KEFQTFQGADACJW-MNOVXSKESA-N 2 0 226.320 0.481 20 0 BCADRP COC(=O)[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346835825 355131462 /nfs/dbraw/zinc/13/14/62/355131462.db2.gz OENFHLQAOLKLIA-RYUDHWBXSA-N 2 0 240.347 0.871 20 0 BCADRP OCCN(Cc1cccnc1)C[C@@H]1CCC[NH2+]C1 ZINC000346840968 355133488 /nfs/dbraw/zinc/13/34/88/355133488.db2.gz GQQGESIBUNZJMM-CQSZACIVSA-N 2 0 249.358 0.876 20 0 BCADRP CC[C@@H]1CN(CC(C)(C)[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000346844846 355135932 /nfs/dbraw/zinc/13/59/32/355135932.db2.gz LWQDZXSZQVDQOW-NWDGAFQWSA-N 2 0 243.395 0.501 20 0 BCADRP CC1(C)CN(C(=O)NC[C@H]([NH3+])C2CC2)CC[NH2+]1 ZINC000335240770 355152853 /nfs/dbraw/zinc/15/28/53/355152853.db2.gz PDKUCIJAIGMFJF-JTQLQIEISA-N 2 0 240.351 0.117 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH2+]C)C1 ZINC000040503658 358494420 /nfs/dbraw/zinc/49/44/20/358494420.db2.gz VGGXEQNTEUBUKX-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@H]1CCC[NH2+]C1 ZINC000347012150 355204888 /nfs/dbraw/zinc/20/48/88/355204888.db2.gz UUOXRSNPRGCFRX-TUAOUCFPSA-N 2 0 237.347 0.339 20 0 BCADRP CCOCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515884 355253065 /nfs/dbraw/zinc/25/30/65/355253065.db2.gz NDISXYAXDOMUDH-NSHDSACASA-N 2 0 200.326 0.906 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC(=O)N2)CC[N@@H+]1C ZINC000639245675 355255724 /nfs/dbraw/zinc/25/57/24/355255724.db2.gz ZTHQQCKPLMKAFU-NTZNESFSSA-N 2 0 239.363 0.727 20 0 BCADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)[NH+](C)C ZINC000413344910 191373890 /nfs/dbraw/zinc/37/38/90/191373890.db2.gz XEKOHBNCLKVFOR-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)[NH+](C)C ZINC000413344915 191374259 /nfs/dbraw/zinc/37/42/59/191374259.db2.gz XEKOHBNCLKVFOR-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP Cn1ncnc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000639245299 355257535 /nfs/dbraw/zinc/25/75/35/355257535.db2.gz VRRVPUICKURFNZ-UHFFFAOYSA-N 2 0 237.351 0.779 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335288041 355258517 /nfs/dbraw/zinc/25/85/17/355258517.db2.gz JXCNWIDZHMQHPD-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000623226458 355291137 /nfs/dbraw/zinc/29/11/37/355291137.db2.gz BCDHLSGRHTZHJI-WDEREUQCSA-N 2 0 225.336 0.291 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000583500723 355333690 /nfs/dbraw/zinc/33/36/90/355333690.db2.gz CPKXDDGQWFDSDJ-DTIDVZRVSA-N 2 0 223.320 0.077 20 0 BCADRP [NH3+]C1(CC(=O)NCC[NH+]2CCCCC2)CCC1 ZINC000094295203 487527641 /nfs/dbraw/zinc/52/76/41/487527641.db2.gz OQFDNCXYFLHHKY-UHFFFAOYSA-N 2 0 239.363 0.860 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414669474 191543690 /nfs/dbraw/zinc/54/36/90/191543690.db2.gz BKRFUSNCIMTXQO-SDDRHHMPSA-N 2 0 240.347 0.869 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H](C[NH3+])C1CC1)[C@H](C)[NH3+] ZINC000422854495 192487361 /nfs/dbraw/zinc/48/73/61/192487361.db2.gz AWFNPXPUWQFHKL-GDPRMGEGSA-N 2 0 227.352 0.459 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000582171160 355488156 /nfs/dbraw/zinc/48/81/56/355488156.db2.gz PWCHKFRTSBLEPW-HBNTYKKESA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414995262 191644619 /nfs/dbraw/zinc/64/46/19/191644619.db2.gz WANHIBUCIWCALI-SECBINFHSA-N 2 0 239.285 0.821 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000335820993 355539421 /nfs/dbraw/zinc/53/94/21/355539421.db2.gz HNRNNKKJZFBCPB-QWRGUYRKSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000349961597 355540801 /nfs/dbraw/zinc/54/08/01/355540801.db2.gz MSQAIHWARFVKMD-MXWKQRLJSA-N 2 0 227.352 0.713 20 0 BCADRP [NH2+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC1CC1 ZINC000051691817 181199437 /nfs/dbraw/zinc/19/94/37/181199437.db2.gz ISSQLCRQXWRQSA-SECBINFHSA-N 2 0 222.336 0.747 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)CCC1CC[NH2+]CC1 ZINC000583563755 355613556 /nfs/dbraw/zinc/61/35/56/355613556.db2.gz YTEBMZYLWBRAMB-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000335895541 355689846 /nfs/dbraw/zinc/68/98/46/355689846.db2.gz WFIMPJBDTYJKCZ-JSGCOSHPSA-N 2 0 247.342 0.884 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000417004865 191773676 /nfs/dbraw/zinc/77/36/76/191773676.db2.gz IFNKRHWKHUQZOU-MNOVXSKESA-N 2 0 242.367 0.378 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000417303386 191787228 /nfs/dbraw/zinc/78/72/28/191787228.db2.gz SHUPQAROIWFKTB-QWRGUYRKSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)N(C)C1CC([NH3+])C1 ZINC000417315601 191787797 /nfs/dbraw/zinc/78/77/97/191787797.db2.gz CQTPISULBBQSAK-WHXUTIOJSA-N 2 0 242.367 0.458 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@@H](C)OC ZINC000166596189 355709754 /nfs/dbraw/zinc/70/97/54/355709754.db2.gz RTXGJCXKPJZTNO-VXGBXAGGSA-N 2 0 232.368 0.968 20 0 BCADRP [NH3+]CCCNC(=O)NCCC[NH+]1CCCCC1 ZINC000416875231 191767070 /nfs/dbraw/zinc/76/70/70/191767070.db2.gz QMVACJAKZXGDBQ-UHFFFAOYSA-N 2 0 242.367 0.510 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000417319230 191792865 /nfs/dbraw/zinc/79/28/65/191792865.db2.gz NGJVJQFAKOBPGD-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)NC[C@@H]([NH3+])CC ZINC000417612715 191906214 /nfs/dbraw/zinc/90/62/14/191906214.db2.gz RPRNFYQBDZUMPR-NSHDSACASA-N 2 0 244.383 0.755 20 0 BCADRP FC(F)[C@H]1C[NH2+]CCN1C[C@H]1CCC[NH2+]C1 ZINC000583630698 355940554 /nfs/dbraw/zinc/94/05/54/355940554.db2.gz PBDARNWFSPXIAJ-VHSXEESVSA-N 2 0 233.306 0.525 20 0 BCADRP CC1(C)CCC[C@@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000583624970 355893546 /nfs/dbraw/zinc/89/35/46/355893546.db2.gz PIZDKOHLYBWRIH-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000417818200 191930706 /nfs/dbraw/zinc/93/07/06/191930706.db2.gz ARJHVSVEKNKLPU-KXUCPTDWSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000417824416 191931715 /nfs/dbraw/zinc/93/17/15/191931715.db2.gz ZVZGAEQAPYVBAJ-MDZLAQPJSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000216464649 355995405 /nfs/dbraw/zinc/99/54/05/355995405.db2.gz DIDVEVLTDRDBAO-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000417833335 191934270 /nfs/dbraw/zinc/93/42/70/191934270.db2.gz JGKYREFBOGWUSX-BDAKNGLRSA-N 2 0 215.341 0.603 20 0 BCADRP C[C@@]1(C(=O)N[C@H](C[NH3+])C2CCCC2)CC[NH2+]C1 ZINC000417835808 191934292 /nfs/dbraw/zinc/93/42/92/191934292.db2.gz OCBGXTARYGIQEX-DGCLKSJQSA-N 2 0 239.363 0.620 20 0 BCADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H](C)[NH3+] ZINC000417840849 191935288 /nfs/dbraw/zinc/93/52/88/191935288.db2.gz SMLAGOPAAJLYBG-SKDRFNHKSA-N 2 0 235.331 0.712 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000417851849 191936486 /nfs/dbraw/zinc/93/64/86/191936486.db2.gz YQVHYROPROIZNZ-NTZNESFSSA-N 2 0 239.363 0.572 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000583640979 355947312 /nfs/dbraw/zinc/94/73/12/355947312.db2.gz AIWMRGFVJHFQJW-LMLFDSFASA-N 2 0 214.309 0.260 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]([NH3+])C(C)C ZINC000167194178 355968561 /nfs/dbraw/zinc/96/85/61/355968561.db2.gz IMZACFKZTYHTHS-GHMZBOCLSA-N 2 0 229.368 0.816 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C[NH2+]CCOC ZINC000167198913 355969740 /nfs/dbraw/zinc/96/97/40/355969740.db2.gz SPNUYTMKJIAADH-NSHDSACASA-N 2 0 245.367 0.069 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN(CC(=O)N(C)C)C1 ZINC000351520930 356007904 /nfs/dbraw/zinc/00/79/04/356007904.db2.gz IKDWZYIYWPZSJK-LBPRGKRZSA-N 2 0 241.379 0.738 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000584350437 356064409 /nfs/dbraw/zinc/06/44/09/356064409.db2.gz JRVJLRVXAUSORY-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)COC1CCC([NH3+])CC1 ZINC000584349898 356061777 /nfs/dbraw/zinc/06/17/77/356061777.db2.gz YLCXKUKQOVOPBQ-WHXUTIOJSA-N 2 0 243.351 0.079 20 0 BCADRP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000617553723 356109937 /nfs/dbraw/zinc/10/99/37/356109937.db2.gz OVURQJOWIWPDPV-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000617553721 356110536 /nfs/dbraw/zinc/11/05/36/356110536.db2.gz OVURQJOWIWPDPV-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP CCN(C(=O)C[NH+](CC)CC)[C@H]1CC[N@H+](C)C1 ZINC000617555134 356111714 /nfs/dbraw/zinc/11/17/14/356111714.db2.gz QIBUNPGNRGVTSK-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH3+] ZINC000418185339 191993159 /nfs/dbraw/zinc/99/31/59/191993159.db2.gz OSRYVMKUVJCDRF-JTQLQIEISA-N 2 0 228.340 0.119 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NCC[NH2+]C ZINC000418199642 191994392 /nfs/dbraw/zinc/99/43/92/191994392.db2.gz OEWSTFCSTQOHMD-NSHDSACASA-N 2 0 244.383 0.625 20 0 BCADRP C[C@@H](CNC(=O)NCC1([NH3+])CCC1)[NH+](C)C ZINC000418263964 192009005 /nfs/dbraw/zinc/00/90/05/192009005.db2.gz SAEXALWBRMXQGY-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H](CNC(=O)N1CCC[C@@H]1C[NH3+])[NH+](C)C ZINC000418263008 192009298 /nfs/dbraw/zinc/00/92/98/192009298.db2.gz RHXANMXFSXWUBN-VHSXEESVSA-N 2 0 228.340 0.069 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@H](C)[NH+](C)C ZINC000418270882 192009865 /nfs/dbraw/zinc/00/98/65/192009865.db2.gz ZIFQDIUORQPOGY-MNOVXSKESA-N 2 0 244.383 0.753 20 0 BCADRP C[C@@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)[NH+](C)C ZINC000418267341 192009911 /nfs/dbraw/zinc/00/99/11/192009911.db2.gz WJKGADGQYGOEEE-GARJFASQSA-N 2 0 242.367 0.315 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)NCCC[NH2+]C ZINC000418282176 192014057 /nfs/dbraw/zinc/01/40/57/192014057.db2.gz XBGCXANPRPNYAM-UHFFFAOYSA-N 2 0 244.383 0.579 20 0 BCADRP CC[C@@H](C)[NH+]1CCN(C(=O)NCC[NH3+])CC1 ZINC000418298282 192019751 /nfs/dbraw/zinc/01/97/51/192019751.db2.gz POYBOWAJVJKTRE-SNVBAGLBSA-N 2 0 228.340 0.071 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC1([NH3+])CCCCC1 ZINC000418296580 192019918 /nfs/dbraw/zinc/01/99/18/192019918.db2.gz LXPNOBBUGJPXHR-ZJUUUORDSA-N 2 0 242.367 0.683 20 0 BCADRP CN(CC[NH+]1CCCC1)C(=O)NCCC[NH3+] ZINC000418306466 192021562 /nfs/dbraw/zinc/02/15/62/192021562.db2.gz BFWPYNGYWUDKBL-UHFFFAOYSA-N 2 0 228.340 0.072 20 0 BCADRP C[NH2+]CCCNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000418312688 192021627 /nfs/dbraw/zinc/02/16/27/192021627.db2.gz UMANZHSHQVZBCV-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP C[NH2+]CCCNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000418312691 192021751 /nfs/dbraw/zinc/02/17/51/192021751.db2.gz UMANZHSHQVZBCV-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP CCCN(C(=O)NCC[NH2+]CC)[C@@H]1CC[NH2+]C1 ZINC000418313827 192022785 /nfs/dbraw/zinc/02/27/85/192022785.db2.gz CMDQTEFGQSFBLE-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP C[NH2+]CCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418314746 192022889 /nfs/dbraw/zinc/02/28/89/192022889.db2.gz FZITXACJOCETPL-NXEZZACHSA-N 2 0 228.340 0.023 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)NCCC[NH2+]C ZINC000418313699 192022938 /nfs/dbraw/zinc/02/29/38/192022938.db2.gz VZLJTSRYIVKVKK-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP CC[NH2+]CCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418320560 192024024 /nfs/dbraw/zinc/02/40/24/192024024.db2.gz VGMYFOQSJZOYLF-NSHDSACASA-N 2 0 240.351 0.132 20 0 BCADRP [NH3+]C[C@H](NC(=O)NCCC[NH2+]C1CC1)C1CC1 ZINC000418287561 192015019 /nfs/dbraw/zinc/01/50/19/192015019.db2.gz KQMZLHARAUNIQA-NSHDSACASA-N 2 0 240.351 0.165 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000332122181 356208586 /nfs/dbraw/zinc/20/85/86/356208586.db2.gz HUVQVUVSSIOBON-GHMZBOCLSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1CN(CC[N@H+](C)C2CC[NH2+]CC2)CCO1 ZINC000420267870 192193103 /nfs/dbraw/zinc/19/31/03/192193103.db2.gz GEISSXQTULAXCV-GFCCVEGCSA-N 2 0 241.379 0.391 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420292649 192203658 /nfs/dbraw/zinc/20/36/58/192203658.db2.gz PTVGENXVUHWYOO-NWDGAFQWSA-N 3 0 211.353 0.670 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420294133 192203913 /nfs/dbraw/zinc/20/39/13/192203913.db2.gz SLIWOBNOTXABAX-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000420299669 192207407 /nfs/dbraw/zinc/20/74/07/192207407.db2.gz BGFVJVVUQSUFBK-QJPTWQEYSA-N 2 0 240.347 0.997 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000420296238 192204288 /nfs/dbraw/zinc/20/42/88/192204288.db2.gz WWFOSMXLUJWVLR-MNOVXSKESA-N 2 0 228.336 0.997 20 0 BCADRP COC(=O)CC1(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000420300970 192206316 /nfs/dbraw/zinc/20/63/16/192206316.db2.gz DLTWVAOJCKYCRS-QWRGUYRKSA-N 2 0 240.347 0.999 20 0 BCADRP CCN(C)C(=O)CC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000420319545 192195553 /nfs/dbraw/zinc/19/55/53/192195553.db2.gz XQXGDNGVRAOGPR-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(C)(C)[NH3+] ZINC000336127627 134093213 /nfs/dbraw/zinc/09/32/13/134093213.db2.gz GAVWISNBIFVIQU-PSASIEDQSA-N 2 0 225.336 0.323 20 0 BCADRP CC(C)OC(=O)CC[NH+]1CCC(C[NH3+])CC1 ZINC000420276203 192198789 /nfs/dbraw/zinc/19/87/89/192198789.db2.gz RJASJXACPIBQHM-UHFFFAOYSA-N 2 0 228.336 0.999 20 0 BCADRP COc1ccc([C@H](C[NH3+])CN2CC[C@@H]([NH3+])C2)cc1 ZINC000420278275 192198848 /nfs/dbraw/zinc/19/88/48/192198848.db2.gz VLBSMCYOPSJSEI-CHWSQXEVSA-N 2 0 249.358 0.771 20 0 BCADRP C(CN1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000420282053 192199527 /nfs/dbraw/zinc/19/95/27/192199527.db2.gz AKZNFBPSWBBTLH-UPJWGTAASA-N 2 0 223.364 0.812 20 0 BCADRP C[C@@H](c1cnccn1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282222 356314119 /nfs/dbraw/zinc/31/41/19/356314119.db2.gz MSUFRKLXEOEHGV-GARJFASQSA-N 2 0 218.304 0.689 20 0 BCADRP CCOC(=O)CCN1CCCC[C@H]1C[NH3+] ZINC000420289968 192202165 /nfs/dbraw/zinc/20/21/65/192202165.db2.gz IRMNJUXPIHNVHU-JTQLQIEISA-N 2 0 214.309 0.753 20 0 BCADRP CCOC(=O)CC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420291931 192202935 /nfs/dbraw/zinc/20/29/35/192202935.db2.gz OPFFSRDJMUQDAM-QWRGUYRKSA-N 2 0 228.336 0.999 20 0 BCADRP CC(=O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000639494520 356319613 /nfs/dbraw/zinc/31/96/13/356319613.db2.gz IPKHUDDWIYVCRQ-LBPRGKRZSA-N 2 0 210.321 0.993 20 0 BCADRP C[C@H](CCNC(=O)C1([NH+](C)C)CC1)[NH+](C)C ZINC000617762400 356320230 /nfs/dbraw/zinc/32/02/30/356320230.db2.gz NYUNFBXGSMCYLV-SNVBAGLBSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420349342 192218497 /nfs/dbraw/zinc/21/84/97/192218497.db2.gz CNQZKXSIWBLTCI-TUAOUCFPSA-N 3 0 211.353 0.798 20 0 BCADRP COc1ccc([C@@H](C[NH3+])CN2CC[C@H]([NH3+])C2)cc1 ZINC000420300875 192207840 /nfs/dbraw/zinc/20/78/40/192207840.db2.gz VLBSMCYOPSJSEI-STQMWFEESA-N 2 0 249.358 0.771 20 0 BCADRP CNC(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000420316958 192212931 /nfs/dbraw/zinc/21/29/31/192212931.db2.gz OCDALTVGVDEUDQ-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP C[N@H+](CC[C@H]1CC[NH2+]C1)[C@H](CN)C1CC1 ZINC000420322697 192227408 /nfs/dbraw/zinc/22/74/08/192227408.db2.gz XBPWAWZHYDSYCD-ZYHUDNBSSA-N 2 0 211.353 0.655 20 0 BCADRP C[C@H](N)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327916 192229991 /nfs/dbraw/zinc/22/99/91/192229991.db2.gz LSCYMIUSFAQSTB-SDDRHHMPSA-N 2 0 211.353 0.655 20 0 BCADRP C[N@H+](CCC(=O)NC1CCCC1)C1CC([NH3+])C1 ZINC000420326965 192230722 /nfs/dbraw/zinc/23/07/22/192230722.db2.gz FTRJKUKZLPXQJV-UHFFFAOYSA-N 2 0 239.363 0.857 20 0 BCADRP CCC[C@H]1CN(C[C@H](C)[NH3+])CC[N@@H+]1CCOC ZINC000420363688 192224407 /nfs/dbraw/zinc/22/44/07/192224407.db2.gz BVXSHFRWYJGIEU-STQMWFEESA-N 2 0 243.395 0.766 20 0 BCADRP CCCCNC(=O)CCN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420391126 192236306 /nfs/dbraw/zinc/23/63/06/192236306.db2.gz YPEUKZBLBVIVQS-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1CCN(C(=O)N(CCC[NH3+])CCC[NH3+])C1 ZINC000420449307 192243159 /nfs/dbraw/zinc/24/31/59/192243159.db2.gz GBEJDUVWUOVPRC-LLVKDONJSA-N 2 0 242.367 0.448 20 0 BCADRP Cn1cncc1CC[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000639554161 356456349 /nfs/dbraw/zinc/45/63/49/356456349.db2.gz BMMRDZKUEFKNKT-GFCCVEGCSA-N 2 0 248.330 0.269 20 0 BCADRP CC[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000019506835 356484214 /nfs/dbraw/zinc/48/42/14/356484214.db2.gz JEMXNLBLPFJJCS-GFCCVEGCSA-N 2 0 211.353 0.624 20 0 BCADRP CC(C)(C)NC(=O)CN1CCC[C@H](C[NH3+])C1 ZINC000019843089 356485895 /nfs/dbraw/zinc/48/58/95/356485895.db2.gz ZOHIWJBBYGWYLQ-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+]CC1(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000336176210 134116784 /nfs/dbraw/zinc/11/67/84/134116784.db2.gz MWMKWFOAMPDJAC-GHMZBOCLSA-N 2 0 239.363 0.892 20 0 BCADRP CC[NH+](CC)CCCN1CC[C@H](NC(C)=O)C1 ZINC000420958587 192281092 /nfs/dbraw/zinc/28/10/92/192281092.db2.gz PJYRCEQLUNJUIR-ZDUSSCGKSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CCC[NH3+] ZINC000237527208 363472047 /nfs/dbraw/zinc/47/20/47/363472047.db2.gz XBTSNNXLJDKEPT-VHSXEESVSA-N 2 0 213.325 0.454 20 0 BCADRP CN(C(=O)C[C@H]1CCC[NH2+]1)C1CC([NH3+])C1 ZINC000336203552 134131164 /nfs/dbraw/zinc/13/11/64/134131164.db2.gz CBLCBLVLQSUFRY-HWOCKDDLSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)CCC1CC[NH2+]CC1 ZINC000179768937 366301705 /nfs/dbraw/zinc/30/17/05/366301705.db2.gz NCGXSWKYLMNJLL-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)CC1(C[NH3+])CC1 ZINC000422898587 192501730 /nfs/dbraw/zinc/50/17/30/192501730.db2.gz FPHINSYQVCWKAO-JTQLQIEISA-N 2 0 227.352 0.749 20 0 BCADRP CC(C)NC(=O)CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422948056 192510398 /nfs/dbraw/zinc/51/03/98/192510398.db2.gz ZIAQJPMIHLHRJZ-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP CC[C@H]([NH2+]CCCC(=O)N(C)C)[C@@H]1CCC[NH2+]1 ZINC000422933662 192510788 /nfs/dbraw/zinc/51/07/88/192510788.db2.gz ICEYEEWKSIATCC-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1[C@H](O)CCC[N@@H+]1CCc1cncn1C ZINC000639663053 356576130 /nfs/dbraw/zinc/57/61/30/356576130.db2.gz PVNTYNZHTCPWNS-ZYHUDNBSSA-N 2 0 223.320 0.808 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)N(C)CCC[NH3+])C[NH2+]1 ZINC000627206225 363501757 /nfs/dbraw/zinc/50/17/57/363501757.db2.gz IFHIFABPFSPVCE-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)N2CC[NH2+][C@H](C)C2)C[NH2+]1 ZINC000627207756 363503168 /nfs/dbraw/zinc/50/31/68/363503168.db2.gz TVFRCTVDVYIPDG-GMTAPVOTSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627207007 363503652 /nfs/dbraw/zinc/50/36/52/363503652.db2.gz NEMQEURTQHGTGG-GUBZILKMSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)NC(C)(C)CC[NH3+])C[NH2+]1 ZINC000627208568 363504228 /nfs/dbraw/zinc/50/42/28/363504228.db2.gz AUBWBGHVVCJTLH-UWVGGRQHSA-N 2 0 242.367 0.554 20 0 BCADRP CC[NH+](CC)CCCNC(=O)CC[NH3+] ZINC000022221476 356582278 /nfs/dbraw/zinc/58/22/78/356582278.db2.gz SQYFHJAIODJVIZ-UHFFFAOYSA-N 2 0 201.314 0.183 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000422917992 192506539 /nfs/dbraw/zinc/50/65/39/192506539.db2.gz GNQHVSZMCSZCCE-IRCOFANPSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)N1C[C@H]([NH2+][C@@H](C)CCC[NH3+])CC1=O ZINC000422927040 192508285 /nfs/dbraw/zinc/50/82/85/192508285.db2.gz YALZDMDJIMBQCV-WDEREUQCSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627208054 363506263 /nfs/dbraw/zinc/50/62/63/363506263.db2.gz GEDGVUCAEVGPHX-XWLWVQCSSA-N 2 0 240.351 0.177 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627208052 363506443 /nfs/dbraw/zinc/50/64/43/363506443.db2.gz GEDGVUCAEVGPHX-UKKRHICBSA-N 2 0 240.351 0.177 20 0 BCADRP CC[N@@H+]1CCCN(c2ccncc2C(N)=O)CC1 ZINC000302019471 356600785 /nfs/dbraw/zinc/60/07/85/356600785.db2.gz HAPCFIKUHSXNDJ-UHFFFAOYSA-N 2 0 248.330 0.713 20 0 BCADRP C[C@H](O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684165 356600824 /nfs/dbraw/zinc/60/08/24/356600824.db2.gz SJHVFHWKROMYBI-LBPRGKRZSA-N 2 0 235.331 0.975 20 0 BCADRP CC[C@@H]1CN(CC[NH2+][C@@H](C)CCC[NH3+])CCO1 ZINC000423079738 192561233 /nfs/dbraw/zinc/56/12/33/192561233.db2.gz APIAZEDQMGMGOL-QWHCGFSZSA-N 2 0 243.395 0.814 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757568 356663629 /nfs/dbraw/zinc/66/36/29/356663629.db2.gz HYAPWXNNPUAVNO-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000627226737 363555435 /nfs/dbraw/zinc/55/54/35/363555435.db2.gz QZCIMYFBJQDNMF-UWVGGRQHSA-N 2 0 228.340 0.069 20 0 BCADRP C[NH+]1CCC2(CC[N@H+](CCc3cn[nH]n3)C2)CC1 ZINC000639755198 356658473 /nfs/dbraw/zinc/65/84/73/356658473.db2.gz HUCULVXKZZCIPW-UHFFFAOYSA-N 2 0 249.362 0.765 20 0 BCADRP CC[C@H](C[N@@H+]1CCC[C@@](O)(CN(C)C)C1)OC ZINC000639760861 356676059 /nfs/dbraw/zinc/67/60/59/356676059.db2.gz BWKPDESOHXDBRN-CHWSQXEVSA-N 2 0 244.379 0.800 20 0 BCADRP c1nn2c(c1C1=CC[NH2+]CC1)C[NH2+]CC2 ZINC000675076049 538510862 /nfs/dbraw/zinc/51/08/62/538510862.db2.gz JIWDURHMOIUKLY-UHFFFAOYSA-N 2 0 204.277 0.363 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)Cn1ccnc1 ZINC000578154117 366333266 /nfs/dbraw/zinc/33/32/66/366333266.db2.gz IEBKRIRSCVGFRR-UHFFFAOYSA-N 2 0 238.335 0.683 20 0 BCADRP O=C(NCC[NH+]1CCCCCC1)[C@H]1CC[NH2+]1 ZINC000384839818 356773649 /nfs/dbraw/zinc/77/36/49/356773649.db2.gz SEVXUTQTUWLUKE-LLVKDONJSA-N 2 0 225.336 0.341 20 0 BCADRP C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623373256 356882852 /nfs/dbraw/zinc/88/28/52/356882852.db2.gz YJRDYOPIXZDDFC-NXEZZACHSA-N 2 0 200.326 0.830 20 0 BCADRP CC[NH2+]CC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000071196432 325060266 /nfs/dbraw/zinc/06/02/66/325060266.db2.gz CVSZWIVCDJXECL-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639850464 356853205 /nfs/dbraw/zinc/85/32/05/356853205.db2.gz VRTGCOLOWDKMDW-AGIUHOORSA-N 2 0 242.363 0.288 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359381640 356888737 /nfs/dbraw/zinc/88/87/37/356888737.db2.gz BXNZRZKILKTZLA-OUAUKWLOSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC000041679602 358512971 /nfs/dbraw/zinc/51/29/71/358512971.db2.gz JGQOTDUYIBQJHT-NSHDSACASA-N 2 0 229.368 0.818 20 0 BCADRP CCN1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362361673 356944316 /nfs/dbraw/zinc/94/43/16/356944316.db2.gz ZGOVKOJUUZYEJA-NWDGAFQWSA-N 2 0 239.363 0.348 20 0 BCADRP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)[C@H]1C[C@@H]1C ZINC000423207425 192627975 /nfs/dbraw/zinc/62/79/75/192627975.db2.gz RLVOBHHSKYWJEK-AVGNSLFASA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)[C@H]1C[C@H]1C ZINC000423199755 192623924 /nfs/dbraw/zinc/62/39/24/192623924.db2.gz CMKJBOMYYXUYLS-UTUOFQBUSA-N 2 0 211.353 0.526 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000389573673 356993545 /nfs/dbraw/zinc/99/35/45/356993545.db2.gz CUSVMONMWIQQNY-HLTSFMKQSA-N 2 0 201.314 0.084 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)CCCC[NH3+] ZINC000389859605 357055679 /nfs/dbraw/zinc/05/56/79/357055679.db2.gz CQYLFPMIMINQBY-VIFPVBQESA-N 2 0 201.314 0.087 20 0 BCADRP CC[NH2+]CCCNC(=O)NC(C)(C)CC[NH3+] ZINC000582295272 357029198 /nfs/dbraw/zinc/02/91/98/357029198.db2.gz PBRNCQZFKPRHKG-UHFFFAOYSA-N 2 0 230.356 0.413 20 0 BCADRP C[C@@H](NCCN1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000423211468 192628912 /nfs/dbraw/zinc/62/89/12/192628912.db2.gz YHLWGOWYVBIPKV-CHWSQXEVSA-N 2 0 240.395 0.012 20 0 BCADRP CCn1ccnc1C[NH2+]CCOCC[NH+](C)C ZINC000231676462 325101285 /nfs/dbraw/zinc/10/12/85/325101285.db2.gz URCVSPAYMPCCPE-UHFFFAOYSA-N 2 0 240.351 0.571 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH3+] ZINC000390545068 357103006 /nfs/dbraw/zinc/10/30/06/357103006.db2.gz MNPNQLJWUQNOPG-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000390680905 357114130 /nfs/dbraw/zinc/11/41/30/357114130.db2.gz ZQXGWOPTTRKGRK-WOPDTQHZSA-N 2 0 211.353 0.655 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000390462108 357094182 /nfs/dbraw/zinc/09/41/82/357094182.db2.gz GFMTYTOVIUPSAJ-SECBINFHSA-N 2 0 213.325 0.087 20 0 BCADRP C[C@@H](C[NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000390487606 357096862 /nfs/dbraw/zinc/09/68/62/357096862.db2.gz PGPHOFJCVYYLPF-QMMMGPOBSA-N 2 0 207.277 0.679 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000390406371 357097525 /nfs/dbraw/zinc/09/75/25/357097525.db2.gz BNMYPXDTMWHSKE-OPRDCNLKSA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)[C@H](C(=O)NCC1CC[NH2+]CC1)[C@@H](C)[NH3+] ZINC000582415084 357140442 /nfs/dbraw/zinc/14/04/42/357140442.db2.gz XSSDJJBMNVZAQG-PWSUYJOCSA-N 2 0 241.379 0.722 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(C)C1CC[NH2+]CC1 ZINC000582419176 357143306 /nfs/dbraw/zinc/14/33/06/357143306.db2.gz OMDMTRXMRPHIDS-NXEZZACHSA-N 2 0 242.367 0.506 20 0 BCADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n[nH]1 ZINC000392360972 357148009 /nfs/dbraw/zinc/14/80/09/357148009.db2.gz BGKPTGSJJONGGJ-NXEZZACHSA-N 2 0 223.324 0.515 20 0 BCADRP CCCN(C(=O)[C@H](C)[NH2+]C)[C@H]1CC[NH2+]C1 ZINC000582430902 357148073 /nfs/dbraw/zinc/14/80/73/357148073.db2.gz LDCQTWXXVZKNTI-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000392806189 357234954 /nfs/dbraw/zinc/23/49/54/357234954.db2.gz CKTRVLHYWXYDSD-VXGBXAGGSA-N 2 0 237.347 0.363 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000393777833 357298579 /nfs/dbraw/zinc/29/85/79/357298579.db2.gz LZWCKESQSDFQNC-GXSJLCMTSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)CC1CC[NH2+]CC1 ZINC000393805470 357301073 /nfs/dbraw/zinc/30/10/73/357301073.db2.gz OWVHMWHCVLJKRH-SECBINFHSA-N 2 0 213.325 0.087 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC000392969293 357265917 /nfs/dbraw/zinc/26/59/17/357265917.db2.gz BWIYAEASINMFAO-GHMZBOCLSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC000392969294 357266584 /nfs/dbraw/zinc/26/65/84/357266584.db2.gz BWIYAEASINMFAO-MNOVXSKESA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000583700752 357274178 /nfs/dbraw/zinc/27/41/78/357274178.db2.gz ZFXOCDBDBNIVDM-VOZVASTJSA-N 2 0 237.347 0.454 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000582724671 357372599 /nfs/dbraw/zinc/37/25/99/357372599.db2.gz CGHSZIONICYXPM-AXFHLTTASA-N 2 0 227.352 0.413 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000582488063 357318778 /nfs/dbraw/zinc/31/87/78/357318778.db2.gz PSWOBNAYINWJPU-BXKDBHETSA-N 2 0 246.314 0.318 20 0 BCADRP CCOC[C@H]1CC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000582490293 357319085 /nfs/dbraw/zinc/31/90/85/357319085.db2.gz ACPHNMAPTHDRNC-RYUDHWBXSA-N 2 0 230.352 0.315 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000582605312 357349246 /nfs/dbraw/zinc/34/92/46/357349246.db2.gz PJNKCHMXJJABAM-CMPLNLGQSA-N 2 0 235.331 0.582 20 0 BCADRP C[C@H](CC(=O)N1CCN(C)CC1)n1ccnc1 ZINC000582608146 357350258 /nfs/dbraw/zinc/35/02/58/357350258.db2.gz CAQPHWHFKGYIHA-LLVKDONJSA-N 2 0 236.319 0.608 20 0 BCADRP C[C@@H](C(=O)NCCC[NH+](C)C)[NH+]1CC(C)C1 ZINC000582613906 357353206 /nfs/dbraw/zinc/35/32/06/357353206.db2.gz IMIHALWKUPJKEN-NSHDSACASA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H](CC(=O)N(C)CC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000582964063 357440642 /nfs/dbraw/zinc/44/06/42/357440642.db2.gz SYIAUBJCHWNCOS-QWRGUYRKSA-N 2 0 227.352 0.429 20 0 BCADRP O=C(C[NH2+]C(C1CC1)C1CC1)N1CC[NH2+]CC1 ZINC000582898973 357424999 /nfs/dbraw/zinc/42/49/99/357424999.db2.gz GMPJDPQSQDLELZ-UHFFFAOYSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000582899947 357425068 /nfs/dbraw/zinc/42/50/68/357425068.db2.gz RZVOHZJINVSZCL-XZUYRWCXSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000582903561 357426876 /nfs/dbraw/zinc/42/68/76/357426876.db2.gz IIBDUVFQYDIHLB-DCAQKATOSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]CC1(O)CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000397075469 357497559 /nfs/dbraw/zinc/49/75/59/357497559.db2.gz CNWSTWBCBDEAGJ-NWDGAFQWSA-N 2 0 242.363 0.323 20 0 BCADRP C[C@@H](C(=O)NC(C)(C)CC[NH3+])[C@H](C)[NH3+] ZINC000583079370 357473718 /nfs/dbraw/zinc/47/37/18/357473718.db2.gz QYTRSQPBLYCZIO-SFYZADRCSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@]1(CN2CC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]C1 ZINC000583084899 357475474 /nfs/dbraw/zinc/47/54/74/357475474.db2.gz RHXVENSYSDAHFY-WOPDTQHZSA-N 2 0 209.337 0.280 20 0 BCADRP COCCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)O)CC1 ZINC000583198750 357516240 /nfs/dbraw/zinc/51/62/40/357516240.db2.gz DWBWCIOXYYBYQI-NWDGAFQWSA-N 2 0 244.379 0.846 20 0 BCADRP COCCC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)O)CC1 ZINC000583198752 357516708 /nfs/dbraw/zinc/51/67/08/357516708.db2.gz DWBWCIOXYYBYQI-VXGBXAGGSA-N 2 0 244.379 0.846 20 0 BCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(C)(C)[NH3+] ZINC000063122300 357529975 /nfs/dbraw/zinc/52/99/75/357529975.db2.gz IKXUPAAJXNQNEN-UHFFFAOYSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H]1CN(C(=O)C2(C[NH3+])CCCC2)CC[NH2+]1 ZINC000188483611 357556599 /nfs/dbraw/zinc/55/65/99/357556599.db2.gz FVZDKXNDATTXLO-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000397612437 357627957 /nfs/dbraw/zinc/62/79/57/357627957.db2.gz SAYRSBMBGMRBIR-VXGBXAGGSA-N 3 0 241.379 0.303 20 0 BCADRP CC1(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC[NH2+]CC1 ZINC000188801267 357587410 /nfs/dbraw/zinc/58/74/10/357587410.db2.gz LOHMYATYFIQPJL-VHSXEESVSA-N 2 0 243.326 0.192 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188854955 357592568 /nfs/dbraw/zinc/59/25/68/357592568.db2.gz WKTQFNSMCGGJRL-OUAUKWLOSA-N 2 0 245.342 0.533 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[NH+](C)C ZINC000040469076 357609134 /nfs/dbraw/zinc/60/91/34/357609134.db2.gz METUBBRXATXZKJ-DTWKUNHWSA-N 2 0 215.341 0.426 20 0 BCADRP CCn1nccc1C[NH2+]CCOCC[NH+](C)C ZINC000231676716 357619673 /nfs/dbraw/zinc/61/96/73/357619673.db2.gz VMQQQIFXIFYYQT-UHFFFAOYSA-N 2 0 240.351 0.571 20 0 BCADRP Cc1nn(C)cc1C[NH2+]CCOCC[NH+](C)C ZINC000231676064 357619707 /nfs/dbraw/zinc/61/97/07/357619707.db2.gz IGTJAXUOLNYOHX-UHFFFAOYSA-N 2 0 240.351 0.396 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C[C@@H](C[NH3+])OC ZINC000232119481 357646714 /nfs/dbraw/zinc/64/67/14/357646714.db2.gz HBCZBEMPDWPYLT-MNOVXSKESA-N 2 0 245.367 0.197 20 0 BCADRP CCN1CCC[C@@H]1C[NH2+][C@@H](CCC[NH3+])COC ZINC000233484050 357725573 /nfs/dbraw/zinc/72/55/73/357725573.db2.gz DHMDNWKGVBRSMD-QWHCGFSZSA-N 2 0 243.395 0.814 20 0 BCADRP CCC(O)(CC)C[NH2+][C@H](CCC[NH3+])COC ZINC000232931661 357694735 /nfs/dbraw/zinc/69/47/35/357694735.db2.gz WJSYHOPLQAZWIX-LLVKDONJSA-N 2 0 232.368 0.881 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000583262504 357749359 /nfs/dbraw/zinc/74/93/59/357749359.db2.gz HLVKSBVXNPWWBM-JBLDHEPKSA-N 2 0 235.331 0.408 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000086068859 357816244 /nfs/dbraw/zinc/81/62/44/357816244.db2.gz PSPWIKJLYQBVMW-MNOVXSKESA-N 2 0 227.352 0.395 20 0 BCADRP C[C@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000192969430 357862485 /nfs/dbraw/zinc/86/24/85/357862485.db2.gz NQGIDRSCUWOYKP-LBPRGKRZSA-N 2 0 242.363 0.411 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCC1=CC[NH2+]CC1 ZINC000381627740 357842683 /nfs/dbraw/zinc/84/26/83/357842683.db2.gz LVICMYRLWUEKEE-UHFFFAOYSA-N 2 0 211.309 0.007 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000399074935 357894743 /nfs/dbraw/zinc/89/47/43/357894743.db2.gz PGBXTAREBUBFHU-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]Cc1cc(C(=O)NCC2CC[NH2+]CC2)co1 ZINC000583321199 357902886 /nfs/dbraw/zinc/90/28/86/357902886.db2.gz QRFUVMPYCDGXEP-UHFFFAOYSA-N 2 0 237.303 0.468 20 0 BCADRP CC(C)[C@H](C(=O)NCCC[NH3+])[C@@H](C)[NH3+] ZINC000399422133 357906380 /nfs/dbraw/zinc/90/63/80/357906380.db2.gz FTFCAZDCYSDYRS-BDAKNGLRSA-N 2 0 201.314 0.071 20 0 BCADRP [NH3+][C@H](C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)C1CCC1 ZINC000584408569 357912988 /nfs/dbraw/zinc/91/29/88/357912988.db2.gz HGYUNELYNRMODO-JLLWLGSASA-N 2 0 239.363 0.748 20 0 BCADRP [NH3+]CCCc1nc(C2([NH3+])CCCC2)no1 ZINC000390372745 357915474 /nfs/dbraw/zinc/91/54/74/357915474.db2.gz WGYQAFPYQCBKNJ-UHFFFAOYSA-N 2 0 210.281 0.689 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)CC[NH2+]C1CC1 ZINC000584420510 357918451 /nfs/dbraw/zinc/91/84/51/357918451.db2.gz LEZDSQPSILHUTN-SNVBAGLBSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000583747612 357933367 /nfs/dbraw/zinc/93/33/67/357933367.db2.gz NFBOFOFLINLVHG-DCAQKATOSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000583752236 357933878 /nfs/dbraw/zinc/93/38/78/357933878.db2.gz YHRUMVJFNVSKNF-NSHDSACASA-N 2 0 241.379 0.690 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000583754961 357934993 /nfs/dbraw/zinc/93/49/93/357934993.db2.gz YOOCZKZIYBIYAE-CHWSQXEVSA-N 2 0 247.342 0.808 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000085975914 358001288 /nfs/dbraw/zinc/00/12/88/358001288.db2.gz UFVGVLUDSAAQAS-AXFHLTTASA-N 2 0 225.336 0.289 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000085975878 358001333 /nfs/dbraw/zinc/00/13/33/358001333.db2.gz FCVLIPUEYHCYAS-VWYCJHECSA-N 2 0 225.336 0.419 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000219929009 358010918 /nfs/dbraw/zinc/01/09/18/358010918.db2.gz GPOUDBXQDYUDGZ-VXGBXAGGSA-N 2 0 241.379 0.688 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CC[NH2+]C1CC1 ZINC000220124516 358019371 /nfs/dbraw/zinc/01/93/71/358019371.db2.gz BHLNYYIYLIYNEH-LLVKDONJSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000584524445 358039171 /nfs/dbraw/zinc/03/91/71/358039171.db2.gz FLXOSBYPOIYVCJ-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]CCC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000584530019 358041723 /nfs/dbraw/zinc/04/17/23/358041723.db2.gz IYOBHGWUMAVXBM-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]([NH3+])c1ccccc1C ZINC000662964233 491119389 /nfs/dbraw/zinc/11/93/89/491119389.db2.gz AOCIJWLEPDSUFN-ZYHUDNBSSA-N 2 0 235.331 0.719 20 0 BCADRP CC[NH+](CC)CCCNC(=O)C[NH2+]C1CC1 ZINC000037476893 358071230 /nfs/dbraw/zinc/07/12/30/358071230.db2.gz NHKXISZTZIJLQG-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037485368 358073153 /nfs/dbraw/zinc/07/31/53/358073153.db2.gz NYGZQEJURMCWQC-GXSJLCMTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](C(=O)NC1CC1)N1CCC[C@@H](C[NH3+])C1 ZINC000217557042 134248393 /nfs/dbraw/zinc/24/83/93/134248393.db2.gz WFWTVYHPLGVXML-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP CN(CCCS(C)(=O)=O)[C@@H]1CCC[NH2+]CC1 ZINC000217935103 134251065 /nfs/dbraw/zinc/25/10/65/134251065.db2.gz POKCTTRPKLJQLM-LLVKDONJSA-N 2 0 248.392 0.495 20 0 BCADRP CN(CC[C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000583872474 358081649 /nfs/dbraw/zinc/08/16/49/358081649.db2.gz KWGWIJLCVSXWJO-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH2+]C(C)C ZINC000037618228 358084194 /nfs/dbraw/zinc/08/41/94/358084194.db2.gz OUAIMLQCIRXUIY-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000584589806 358103147 /nfs/dbraw/zinc/10/31/47/358103147.db2.gz SQSLIRYMBGXYNA-MWLCHTKSSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]CCC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000390372961 491122105 /nfs/dbraw/zinc/12/21/05/491122105.db2.gz WLDZSFDZNPWMFC-UHFFFAOYSA-N 2 0 211.309 0.078 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000583881749 358116813 /nfs/dbraw/zinc/11/68/13/358116813.db2.gz KJWZQAFKXFGXBF-LBPRGKRZSA-N 2 0 237.347 0.481 20 0 BCADRP CN(Cc1nc(C(C)(C)[NH3+])no1)C1CC([NH3+])C1 ZINC000584719928 358161327 /nfs/dbraw/zinc/16/13/27/358161327.db2.gz AMKHRFOUYKDTPW-UHFFFAOYSA-N 2 0 239.323 0.185 20 0 BCADRP C[C@H]1CCN(C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000584783016 358176890 /nfs/dbraw/zinc/17/68/90/358176890.db2.gz IOLPGLMWEAXVNW-QWRGUYRKSA-N 2 0 240.351 0.023 20 0 BCADRP C[C@H](C[NH3+])C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000584833603 358196183 /nfs/dbraw/zinc/19/61/83/358196183.db2.gz FZHDNDPKILWOJS-SCZZXKLOSA-N 2 0 248.330 0.431 20 0 BCADRP C[C@H](C[NH3+])C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000584833602 358196408 /nfs/dbraw/zinc/19/64/08/358196408.db2.gz FZHDNDPKILWOJS-PSASIEDQSA-N 2 0 248.330 0.431 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000584838097 358198166 /nfs/dbraw/zinc/19/81/66/358198166.db2.gz UDYNVLKOCMBXFB-AXFHLTTASA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H](C(=O)N(CC[NH+](C)C)C1CC1)[NH+](C)C ZINC000640126167 358205505 /nfs/dbraw/zinc/20/55/05/358205505.db2.gz GEQJBDLRVSSDHG-JTQLQIEISA-N 2 0 227.352 0.489 20 0 BCADRP COCCN(C)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000223005871 358213862 /nfs/dbraw/zinc/21/38/62/358213862.db2.gz NONJGOKILBTKDM-NEPJUHHUSA-N 2 0 229.368 0.424 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCCNC2=O)C1 ZINC000222935749 358216587 /nfs/dbraw/zinc/21/65/87/358216587.db2.gz RCJXWLXIKOHQNH-GMTAPVOTSA-N 2 0 225.336 0.515 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000040624260 358243912 /nfs/dbraw/zinc/24/39/12/358243912.db2.gz YWBUNLGKQIDGKS-NEPJUHHUSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040624499 358244215 /nfs/dbraw/zinc/24/42/15/358244215.db2.gz OGZXGRVPMIYRHT-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[NH3+])C1 ZINC000040624443 358244335 /nfs/dbraw/zinc/24/43/35/358244335.db2.gz AGWAACZGTXWJKZ-VHSXEESVSA-N 2 0 213.325 0.180 20 0 BCADRP CCC[NH+]1CCC(NC(=O)C[NH2+]C2CC2)CC1 ZINC000040829717 358246768 /nfs/dbraw/zinc/24/67/68/358246768.db2.gz UXFAIPGKGXFPRO-UHFFFAOYSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)C[C@@H](CNC(=O)C[NH2+]C1CC1)[NH+](C)C ZINC000040831337 358246842 /nfs/dbraw/zinc/24/68/42/358246842.db2.gz BXTJGHLXQDRHTH-LBPRGKRZSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+]CCCCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000040832461 358246895 /nfs/dbraw/zinc/24/68/95/358246895.db2.gz VIRHGJORFPIMSA-LLVKDONJSA-N 2 0 221.304 0.542 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H](C)C[NH3+] ZINC000218875245 134265687 /nfs/dbraw/zinc/26/56/87/134265687.db2.gz MPDKQOFEHYXRND-JTQLQIEISA-N 2 0 215.341 0.429 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000653232484 491128498 /nfs/dbraw/zinc/12/84/98/491128498.db2.gz CBTHRVVCKBWRNQ-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C[NH2+]CC1CC1 ZINC000041680230 358333644 /nfs/dbraw/zinc/33/36/44/358333644.db2.gz QLWSAAGDXGTYMW-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H]([NH3+])C(C)C ZINC000041680242 358333694 /nfs/dbraw/zinc/33/36/94/358333694.db2.gz RQQONUCZEUADRJ-LLVKDONJSA-N 2 0 229.368 0.770 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)CC[NH2+]C1CC1 ZINC000041680120 358333847 /nfs/dbraw/zinc/33/38/47/358333847.db2.gz DZBKPMCZWRBSEI-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)CC[C@H](C)[NH3+])C1 ZINC000226510835 358340959 /nfs/dbraw/zinc/34/09/59/358340959.db2.gz REWUSLOFFSBSFZ-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP COC[C@@H](O)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000090952826 491130186 /nfs/dbraw/zinc/13/01/86/491130186.db2.gz BIQMPUHDKJTPBA-AAEUAGOBSA-N 2 0 244.379 0.704 20 0 BCADRP CCNC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173901413 134278222 /nfs/dbraw/zinc/27/82/22/134278222.db2.gz HAGMTVUPSSNWNP-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)CC[NH3+])C1 ZINC000044364679 358407825 /nfs/dbraw/zinc/40/78/25/358407825.db2.gz GRSMEWWDRRHHOC-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000043605776 358384583 /nfs/dbraw/zinc/38/45/83/358384583.db2.gz QHKGXEORLNOXEI-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP CCOC[C@@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC000229940817 358387942 /nfs/dbraw/zinc/38/79/42/358387942.db2.gz KIUHUTFACAZEJV-ZDUSSCGKSA-N 2 0 244.379 0.705 20 0 BCADRP COC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514590 358388578 /nfs/dbraw/zinc/38/85/78/358388578.db2.gz KYSFGAWGMLITPK-MRVPVSSYSA-N 2 0 200.282 0.219 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044538900 358389837 /nfs/dbraw/zinc/38/98/37/358389837.db2.gz RWYFXNVGNQFAJG-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000044538943 358391159 /nfs/dbraw/zinc/39/11/59/358391159.db2.gz PRJIWIYCOXEFBS-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044539001 358391200 /nfs/dbraw/zinc/39/12/00/358391200.db2.gz OPSVMRKQUWZLCQ-UTUOFQBUSA-N 2 0 241.379 0.818 20 0 BCADRP COCCOCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000044725576 358392385 /nfs/dbraw/zinc/39/23/85/358392385.db2.gz QDUZDNVTXACRNN-WDEREUQCSA-N 2 0 216.325 0.461 20 0 BCADRP CNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000230385214 358397479 /nfs/dbraw/zinc/39/74/79/358397479.db2.gz RUVSKRSVOVEPFI-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000111824644 358446307 /nfs/dbraw/zinc/44/63/07/358446307.db2.gz NEYRBIOJBOJAAJ-GRYCIOLGSA-N 2 0 211.353 0.668 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCN2CCSCC2)C1 ZINC000230931757 358412853 /nfs/dbraw/zinc/41/28/53/358412853.db2.gz GSFYNXLOQXYGMN-NWDGAFQWSA-N 2 0 243.420 0.895 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C(C)(C)C[NH3+] ZINC000045708951 358416086 /nfs/dbraw/zinc/41/60/86/358416086.db2.gz JWIXYFAAEFSUPD-UHFFFAOYSA-N 2 0 229.368 0.772 20 0 BCADRP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CC(C)(C)O1 ZINC000045693852 358416243 /nfs/dbraw/zinc/41/62/43/358416243.db2.gz OZNJUVRWEIYGGU-GFCCVEGCSA-N 2 0 241.379 0.391 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC000044526687 358550674 /nfs/dbraw/zinc/55/06/74/358550674.db2.gz KXPMXLDSRQXAKS-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C1(C[NH3+])CCCC1 ZINC000044763840 358552894 /nfs/dbraw/zinc/55/28/94/358552894.db2.gz ZLQAZQKBGZBQFZ-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726722 358552986 /nfs/dbraw/zinc/55/29/86/358552986.db2.gz BCSCPJHJYOHSDC-ZYHUDNBSSA-N 2 0 239.363 0.857 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000044806748 358554321 /nfs/dbraw/zinc/55/43/21/358554321.db2.gz DMQXTBBGDZRHNK-LBPRGKRZSA-N 2 0 241.379 0.819 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NC1CC[NH+](C)CC1 ZINC000044800960 358554552 /nfs/dbraw/zinc/55/45/52/358554552.db2.gz BWHVAGKZODQXQB-NSHDSACASA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC000044808394 358555280 /nfs/dbraw/zinc/55/52/80/358555280.db2.gz ZEMLSZMRHPYRPL-LBPRGKRZSA-N 2 0 241.379 0.675 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(C)(C)C[NH3+] ZINC000045708836 358565165 /nfs/dbraw/zinc/56/51/65/358565165.db2.gz FFSVAWNKWZFGFK-SNVBAGLBSA-N 2 0 229.368 0.818 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000086270941 358566462 /nfs/dbraw/zinc/56/64/62/358566462.db2.gz NKXAOXKRVZWAIE-ONGXEEELSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000086271517 358574247 /nfs/dbraw/zinc/57/42/47/358574247.db2.gz UZLMEFFWOCYVLS-UWVGGRQHSA-N 2 0 227.352 0.441 20 0 BCADRP C[NH+](C)CCCNC(=O)c1ccnc(C[NH3+])c1 ZINC000129939378 358601939 /nfs/dbraw/zinc/60/19/39/358601939.db2.gz SAVSWGMTYCJKOV-UHFFFAOYSA-N 2 0 236.319 0.222 20 0 BCADRP [NH3+]CC(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000212826705 358634238 /nfs/dbraw/zinc/63/42/38/358634238.db2.gz SQALWZAFZKJRDM-GFCCVEGCSA-N 2 0 239.363 0.812 20 0 BCADRP Cn1nncc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000129750675 358595789 /nfs/dbraw/zinc/59/57/89/358595789.db2.gz HXRHZXDUFXMCNQ-UHFFFAOYSA-N 2 0 223.324 0.247 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000131205730 358665661 /nfs/dbraw/zinc/66/56/61/358665661.db2.gz ZKKALDHEBSCLAA-KOLCDFICSA-N 2 0 229.299 0.028 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000131771055 358692647 /nfs/dbraw/zinc/69/26/47/358692647.db2.gz GJBRATWYDDYCMP-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C1([NH3+])CCCC1 ZINC000049559764 358695336 /nfs/dbraw/zinc/69/53/36/358695336.db2.gz BXXOFYRMMGIESI-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)CC(=O)NC1CC1 ZINC000133294367 358749891 /nfs/dbraw/zinc/74/98/91/358749891.db2.gz CNNWZZJCUZZSJM-NSHDSACASA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132885003 358737653 /nfs/dbraw/zinc/73/76/53/358737653.db2.gz BLCJVGDLLZILSX-GHMZBOCLSA-N 2 0 239.363 0.857 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000134210251 358784219 /nfs/dbraw/zinc/78/42/19/358784219.db2.gz ZIQKGDIELGLKJJ-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP CC[C@@]1(C(=O)NC[C@H]([NH3+])C(C)C)CCC[NH2+]1 ZINC000134368734 358788362 /nfs/dbraw/zinc/78/83/62/358788362.db2.gz NIPKBGNPLDMFAE-JQWIXIFHSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]CC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000564082804 358849166 /nfs/dbraw/zinc/84/91/66/358849166.db2.gz ASSHAIATPXGPQH-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH+](C)CCCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000055123748 358882725 /nfs/dbraw/zinc/88/27/25/358882725.db2.gz IWKRJMOKLKJSKD-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH+](C)CCCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055123743 358882839 /nfs/dbraw/zinc/88/28/39/358882839.db2.gz IWKRJMOKLKJSKD-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055090046 358882857 /nfs/dbraw/zinc/88/28/57/358882857.db2.gz VXBDZCQPVYFPIG-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP [NH3+]CCOc1ccc(NC(=O)CC[NH3+])cc1 ZINC000578320489 366508924 /nfs/dbraw/zinc/50/89/24/366508924.db2.gz XPEDYXAJAGRYLY-UHFFFAOYSA-N 2 0 223.276 0.311 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCn2ccnc2)C1 ZINC000086403534 358967478 /nfs/dbraw/zinc/96/74/78/358967478.db2.gz KNBMMQXWCDCQTK-WDEREUQCSA-N 2 0 208.309 0.743 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCn2ccnc2)C1 ZINC000086403536 358967552 /nfs/dbraw/zinc/96/75/52/358967552.db2.gz KNBMMQXWCDCQTK-QWRGUYRKSA-N 2 0 208.309 0.743 20 0 BCADRP Cn1nccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086404178 358968691 /nfs/dbraw/zinc/96/86/91/358968691.db2.gz HBOWSMFKSZRINB-ZJUUUORDSA-N 2 0 208.309 0.780 20 0 BCADRP C[C@@H](C(N)=O)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000059490910 358920402 /nfs/dbraw/zinc/92/04/02/358920402.db2.gz ZAFRWEFRTJOOHU-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000059931465 358921465 /nfs/dbraw/zinc/92/14/65/358921465.db2.gz MQDDIDPOWSNXDI-GXSJLCMTSA-N 2 0 227.352 0.570 20 0 BCADRP C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCOC1 ZINC000308820113 491138407 /nfs/dbraw/zinc/13/84/07/491138407.db2.gz GFXQQFIBKDJPIF-QJPTWQEYSA-N 2 0 210.321 0.564 20 0 BCADRP OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246489946 359121061 /nfs/dbraw/zinc/12/10/61/359121061.db2.gz HBLRCYCVDMDGMP-DGCLKSJQSA-N 2 0 224.348 0.927 20 0 BCADRP CNC(=O)CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072982111 359094209 /nfs/dbraw/zinc/09/42/09/359094209.db2.gz SFERRZTWWDNPCL-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP CN(CC[NH+](C)C)C(=O)C1([NH+](C)C)CC1 ZINC000611823273 359457655 /nfs/dbraw/zinc/45/76/55/359457655.db2.gz QSJZQYBDHRFUGD-UHFFFAOYSA-N 2 0 213.325 0.101 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000423491727 192794309 /nfs/dbraw/zinc/79/43/09/192794309.db2.gz ZQUIJEAQTKVJKX-VWYCJHECSA-N 2 0 247.333 0.961 20 0 BCADRP C[C@@]1(C(=O)NCC[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000580443187 359551473 /nfs/dbraw/zinc/55/14/73/359551473.db2.gz MORDDQJSKFMRQM-ZYHUDNBSSA-N 2 0 225.336 0.102 20 0 BCADRP O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)C12CCC[NH+]1CCC2 ZINC000423590033 192816068 /nfs/dbraw/zinc/81/60/68/192816068.db2.gz DDIZDNRBGLDCOI-TXEJJXNPSA-N 2 0 249.358 0.293 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423975433 192851400 /nfs/dbraw/zinc/85/14/00/192851400.db2.gz MCRAOZZNDATKGC-DGCLKSJQSA-N 2 0 241.379 0.772 20 0 BCADRP CN(CC[NH3+])C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000424000664 192852313 /nfs/dbraw/zinc/85/23/13/192852313.db2.gz MGLXREKBAXALPX-NSHDSACASA-N 2 0 227.352 0.701 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430617045 192881330 /nfs/dbraw/zinc/88/13/30/192881330.db2.gz JPSOKVUTWIHEKT-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP C[N@@H+]1CC[C@@H]([NH2+]CC2(CO)COC2)CC1(C)C ZINC000623469686 359742642 /nfs/dbraw/zinc/74/26/42/359742642.db2.gz LFXKSOGGRLYKRE-LLVKDONJSA-N 2 0 242.363 0.458 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)COC2)CC1(C)C ZINC000623469687 359743031 /nfs/dbraw/zinc/74/30/31/359743031.db2.gz LFXKSOGGRLYKRE-NSHDSACASA-N 2 0 242.363 0.458 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000163597835 359773403 /nfs/dbraw/zinc/77/34/03/359773403.db2.gz MBMQXMKFMLPORV-VHSXEESVSA-N 2 0 245.392 0.277 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)NCCC[NH2+]C1CC1 ZINC000578443967 366569835 /nfs/dbraw/zinc/56/98/35/366569835.db2.gz HACOZBNQTOENJO-NSHDSACASA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)[C@H](C)[NH3+] ZINC000578504868 366581321 /nfs/dbraw/zinc/58/13/21/366581321.db2.gz WMTDWAWVOGWJDC-OUAUKWLOSA-N 2 0 227.352 0.380 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000578504716 366581740 /nfs/dbraw/zinc/58/17/40/366581740.db2.gz LJRWQVVUWCHROU-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C(=O)NC ZINC000578522771 366588873 /nfs/dbraw/zinc/58/88/73/366588873.db2.gz WQJBOHXNGXJCLS-GUBZILKMSA-N 2 0 213.325 0.371 20 0 BCADRP C[NH2+]CCCNC(=O)c1conc1C(C)(C)[NH3+] ZINC000578522272 366589060 /nfs/dbraw/zinc/58/90/60/366589060.db2.gz GMQOQPYPLAVPGR-UHFFFAOYSA-N 2 0 240.307 0.208 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000578531184 366585820 /nfs/dbraw/zinc/58/58/20/366585820.db2.gz ZBRROZVINMEUIJ-JTQLQIEISA-N 2 0 227.352 0.429 20 0 BCADRP COC[C@@H](CCO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000223978781 491145329 /nfs/dbraw/zinc/14/53/29/491145329.db2.gz PPPALGJAXZJUFW-DGCLKSJQSA-N 2 0 244.379 0.704 20 0 BCADRP [NH3+]CC1(NC(=O)CC[C@H]2CC[NH2+]C2)CCCC1 ZINC000578533621 366592897 /nfs/dbraw/zinc/59/28/97/366592897.db2.gz YKBZUDGKTRKUQX-NSHDSACASA-N 2 0 239.363 0.764 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000578631052 366614016 /nfs/dbraw/zinc/61/40/16/366614016.db2.gz OCAGDRRPDXBYEN-GHMZBOCLSA-N 2 0 225.336 0.419 20 0 BCADRP CCOCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000578641415 366616607 /nfs/dbraw/zinc/61/66/07/366616607.db2.gz ZEMXANIWIOGZJA-XQQFMLRXSA-N 2 0 244.379 0.846 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000087526197 359916940 /nfs/dbraw/zinc/91/69/40/359916940.db2.gz JVHKYINWXHRIJD-NEPJUHHUSA-N 2 0 239.363 0.524 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000087471720 366597528 /nfs/dbraw/zinc/59/75/28/366597528.db2.gz BOSIAGCUCLGUHQ-LLVKDONJSA-N 2 0 213.325 0.054 20 0 BCADRP C[C@H]1CN(c2ncnc(N)c2Cl)CC[C@@H]1[NH3+] ZINC000578610670 366607866 /nfs/dbraw/zinc/60/78/66/366607866.db2.gz RMCFKVMLTZQQPI-BQBZGAKWSA-N 2 0 241.726 0.886 20 0 BCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CC[NH3+])CC[C@@H]21 ZINC000088091196 359937163 /nfs/dbraw/zinc/93/71/63/359937163.db2.gz GTZIJQLXKYWIIZ-MNOVXSKESA-N 2 0 225.336 0.278 20 0 BCADRP CC(C)[NH+]1CCC(N(C)C(=O)C2([NH3+])CC2)CC1 ZINC000088130411 359938461 /nfs/dbraw/zinc/93/84/61/359938461.db2.gz YYGURIPWORNGBM-UHFFFAOYSA-N 2 0 239.363 0.809 20 0 BCADRP C[NH+](C)C1(CNC(=O)C2([NH3+])CC2)CCCCC1 ZINC000088130751 359938774 /nfs/dbraw/zinc/93/87/74/359938774.db2.gz CTYFACHRABYWAU-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H]([NH3+])CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000578749798 366637764 /nfs/dbraw/zinc/63/77/64/366637764.db2.gz ITSQNUMQDMPOCN-QJPTWQEYSA-N 2 0 211.353 0.940 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH2+]C3CC3)[C@H]2C1 ZINC000578766060 366643587 /nfs/dbraw/zinc/64/35/87/366643587.db2.gz BVGJGFRNMMTYGO-PWSUYJOCSA-N 2 0 237.347 0.291 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)CCCC[NH3+])[C@@H]2C1 ZINC000578766543 366643627 /nfs/dbraw/zinc/64/36/27/366643627.db2.gz ZLBLTTYXOMFAOG-NWDGAFQWSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1conc1C(C)(C)[NH3+] ZINC000578906482 366672594 /nfs/dbraw/zinc/67/25/94/366672594.db2.gz NAPMTNQKBQHCRK-BQBZGAKWSA-N 2 0 240.307 0.334 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089461118 360021012 /nfs/dbraw/zinc/02/10/12/360021012.db2.gz WGPFXACUWRJZCO-VXGBXAGGSA-N 2 0 241.379 0.819 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612925913 360195610 /nfs/dbraw/zinc/19/56/10/360195610.db2.gz RNWXXGGIPAABBS-MWLCHTKSSA-N 2 0 228.340 0.165 20 0 BCADRP CS[C@@H](C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000122018799 360175869 /nfs/dbraw/zinc/17/58/69/360175869.db2.gz FDDUINQHYDCEPG-QWRGUYRKSA-N 2 0 232.393 0.784 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612918262 360177475 /nfs/dbraw/zinc/17/74/75/360177475.db2.gz LYPLTVHLOKYVDJ-NSHDSACASA-N 2 0 242.367 0.555 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612917715 360177564 /nfs/dbraw/zinc/17/75/64/360177564.db2.gz IODIVVNPKHEGHF-ZYHUDNBSSA-N 2 0 242.367 0.555 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612917674 360177998 /nfs/dbraw/zinc/17/79/98/360177998.db2.gz IELGLNPQFOGYPS-ONGXEEELSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612987520 360239158 /nfs/dbraw/zinc/23/91/58/360239158.db2.gz OPDCJOOOCHLLQW-UWVGGRQHSA-N 2 0 240.351 0.117 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612992879 360248190 /nfs/dbraw/zinc/24/81/90/360248190.db2.gz KJLWZZIHJRNJGH-UWVGGRQHSA-N 2 0 240.351 0.165 20 0 BCADRP C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC000614038819 363714158 /nfs/dbraw/zinc/71/41/58/363714158.db2.gz DLNBGIGEGDNHPB-LLVKDONJSA-N 2 0 237.347 0.245 20 0 BCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC(C)(C)[NH3+] ZINC000094460238 360308628 /nfs/dbraw/zinc/30/86/28/360308628.db2.gz JASUVJIQZNIHFT-GHMZBOCLSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000094647994 360313744 /nfs/dbraw/zinc/31/37/44/360313744.db2.gz UWODBQFHDSXIPE-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000306588951 360494255 /nfs/dbraw/zinc/49/42/55/360494255.db2.gz WGPXBAIVRMIXDW-VLEAKVRGSA-N 2 0 200.326 0.672 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000626951556 360531476 /nfs/dbraw/zinc/53/14/76/360531476.db2.gz AISMIZUOGVBBDJ-NSHDSACASA-N 2 0 244.383 0.707 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449483807 200686253 /nfs/dbraw/zinc/68/62/53/200686253.db2.gz CKLJJLZBDLWVKE-FZMZJTMJSA-N 2 0 247.342 0.381 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000449606832 200694759 /nfs/dbraw/zinc/69/47/59/200694759.db2.gz ZZGKKDXAQJPVBF-HNCHTBHHSA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@@]1(C(=O)N[C@H](CC[NH3+])C(F)F)CCC[NH2+]1 ZINC000449621472 200695002 /nfs/dbraw/zinc/69/50/02/200695002.db2.gz HNUMXXCZJVXURZ-KCJUWKMLSA-N 2 0 249.305 0.617 20 0 BCADRP CCOC[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414787064 200763311 /nfs/dbraw/zinc/76/33/11/200763311.db2.gz YGINTSVBPGOMTO-LBPRGKRZSA-N 2 0 229.368 0.296 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH2+][C@H]1C ZINC000629407435 361055492 /nfs/dbraw/zinc/05/54/92/361055492.db2.gz ACXDNYALSGTKEW-DNIRFERGSA-N 2 0 223.364 0.809 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000629407581 361056292 /nfs/dbraw/zinc/05/62/92/361056292.db2.gz FDINJDNQGNNXAZ-QNWHQSFQSA-N 2 0 223.364 0.953 20 0 BCADRP CCc1nn(C)cc1C[NH2+]CCOCCC[NH3+] ZINC000629399438 361050011 /nfs/dbraw/zinc/05/00/11/361050011.db2.gz GMXHEPMDWVSFOF-UHFFFAOYSA-N 2 0 240.351 0.438 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@@H]1CCCOCC1 ZINC000629399433 361050274 /nfs/dbraw/zinc/05/02/74/361050274.db2.gz GLHROLDUUXVKBW-LLVKDONJSA-N 2 0 216.325 0.511 20 0 BCADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629399842 361050816 /nfs/dbraw/zinc/05/08/16/361050816.db2.gz CNXYSJFTBMWVBZ-WCQYABFASA-N 2 0 241.379 0.424 20 0 BCADRP Cc1ncsc1C[NH2+]CCOCCC[NH3+] ZINC000629399932 361051135 /nfs/dbraw/zinc/05/11/35/361051135.db2.gz MLCHQICADDDWRN-UHFFFAOYSA-N 2 0 229.349 0.907 20 0 BCADRP [NH3+]CCCOCC[NH2+]Cc1cnc2cnccn12 ZINC000629400420 361051635 /nfs/dbraw/zinc/05/16/35/361051635.db2.gz WUIWDOMKBKNJFI-UHFFFAOYSA-N 2 0 249.318 0.184 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000629406840 361053368 /nfs/dbraw/zinc/05/33/68/361053368.db2.gz ZFMRXPWNYBLKAS-VXGBXAGGSA-N 3 0 241.379 0.437 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000629406836 361053854 /nfs/dbraw/zinc/05/38/54/361053854.db2.gz ZFMRXPWNYBLKAS-NEPJUHHUSA-N 3 0 241.379 0.437 20 0 BCADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+][C@H]2C)C[N@@H+]1C1CC1 ZINC000629408656 361059215 /nfs/dbraw/zinc/05/92/15/361059215.db2.gz YBUHJOWKOKIDAU-MPPDQPJWSA-N 2 0 223.364 0.952 20 0 BCADRP COC[C@H]([NH2+]CC1([NH3+])CCOCC1)C(C)C ZINC000629521371 361118244 /nfs/dbraw/zinc/11/82/44/361118244.db2.gz NSNYKRVLEDHYHM-NSHDSACASA-N 2 0 230.352 0.755 20 0 BCADRP CCn1nnc(C)c1CN(C)C1CC[NH2+]CC1 ZINC000629510112 361101931 /nfs/dbraw/zinc/10/19/31/361101931.db2.gz RAJZKNWIMSATCL-UHFFFAOYSA-N 2 0 237.351 0.790 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CCOC2CCOCC2)C1 ZINC000629509501 361103824 /nfs/dbraw/zinc/10/38/24/361103824.db2.gz AHCOTMXVVHEQNM-LBPRGKRZSA-N 2 0 242.363 0.723 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NCC1([NH3+])CCOCC1 ZINC000629519977 361120013 /nfs/dbraw/zinc/12/00/13/361120013.db2.gz JMUACWJWQQVJAJ-MNOVXSKESA-N 2 0 227.352 0.082 20 0 BCADRP C[C@@H]1C[N@H+](CCOC2CCOCC2)CC[C@@H]1[NH3+] ZINC000629510270 361107300 /nfs/dbraw/zinc/10/73/00/361107300.db2.gz PDHDLIHDOQNCTF-YPMHNXCESA-N 2 0 242.363 0.851 20 0 BCADRP Nc1ncccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000629510816 361108715 /nfs/dbraw/zinc/10/87/15/361108715.db2.gz UZMREUWOMNDXAZ-UHFFFAOYSA-N 2 0 220.320 0.835 20 0 BCADRP CCn1nncc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629513293 361110691 /nfs/dbraw/zinc/11/06/91/361110691.db2.gz YURXPAYTANULSZ-GRYCIOLGSA-N 2 0 249.362 0.776 20 0 BCADRP CCn1nnc(C)c1CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000629516447 361113812 /nfs/dbraw/zinc/11/38/12/361113812.db2.gz GAIXHRMQGPTNPY-MWLCHTKSSA-N 2 0 237.351 0.776 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccnc1N ZINC000629516501 361114067 /nfs/dbraw/zinc/11/40/67/361114067.db2.gz ILZYWBZVCGVBII-UWVGGRQHSA-N 2 0 220.320 0.833 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(C)C1=O ZINC000629520246 361116522 /nfs/dbraw/zinc/11/65/22/361116522.db2.gz VJKIJAGJAVPHCB-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](COC)C(C)C ZINC000629528767 361138594 /nfs/dbraw/zinc/13/85/94/361138594.db2.gz IWABKSMFZLGEIM-LLVKDONJSA-N 2 0 218.341 0.483 20 0 BCADRP CC[C@H]([NH2+]CCOCC[NH2+]C)[C@@H]1CCOC1 ZINC000629529239 361138610 /nfs/dbraw/zinc/13/86/10/361138610.db2.gz WIGGKIMPDAWPLF-NEPJUHHUSA-N 2 0 230.352 0.627 20 0 BCADRP CCn1ccnc1[C@@H](C)[NH2+]CCOCC[NH2+]C ZINC000629530483 361144376 /nfs/dbraw/zinc/14/43/76/361144376.db2.gz HXBISEGRHWSOLW-LLVKDONJSA-N 2 0 240.351 0.790 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cccnc1 ZINC000629529971 361147897 /nfs/dbraw/zinc/14/78/97/361147897.db2.gz RSNOJTBEGLEHFW-NSHDSACASA-N 2 0 223.320 0.968 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000629531403 361149084 /nfs/dbraw/zinc/14/90/84/361149084.db2.gz KBVBBLUIOHNLET-MNOVXSKESA-N 3 0 215.341 0.082 20 0 BCADRP C[NH2+]CCOCC[NH2+]C1CCN(C2CC2)CC1 ZINC000629531749 361149278 /nfs/dbraw/zinc/14/92/78/361149278.db2.gz WQNOLGFIGQCDHG-UHFFFAOYSA-N 2 0 241.379 0.439 20 0 BCADRP [NH3+]C1(C(=O)N2CCC[NH2+]CC2)CCCCC1 ZINC000035738344 181324533 /nfs/dbraw/zinc/32/45/33/181324533.db2.gz XOYOFYGDAXNEBF-UHFFFAOYSA-N 2 0 225.336 0.470 20 0 BCADRP C[C@H]([NH2+]C[C@@H]1COCCN1)C1CC[NH+](C)CC1 ZINC000629533381 361159744 /nfs/dbraw/zinc/15/97/44/361159744.db2.gz XNFINGGJKPNUBI-WCQYABFASA-N 2 0 241.379 0.295 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000629523597 361121816 /nfs/dbraw/zinc/12/18/16/361121816.db2.gz IFIYEHHNLGNLCX-FVDFVZEOSA-N 2 0 225.336 0.357 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000629523887 361121840 /nfs/dbraw/zinc/12/18/40/361121840.db2.gz KZZUPXOPTCLTBO-DBIOUOCHSA-N 2 0 225.336 0.500 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000629523889 361121850 /nfs/dbraw/zinc/12/18/50/361121850.db2.gz KZZUPXOPTCLTBO-NAKRPEOUSA-N 2 0 225.336 0.500 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629523583 361122165 /nfs/dbraw/zinc/12/21/65/361122165.db2.gz HVHGGWZCTSUZIM-XWLWVQCSSA-N 2 0 225.336 0.228 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000629523392 361124599 /nfs/dbraw/zinc/12/45/99/361124599.db2.gz DUEFXVLWASTMMU-QEYWKRMJSA-N 2 0 211.309 0.110 20 0 BCADRP [NH3+]C1(C(=O)NCC[NH+]2CCCC2)CCCC1 ZINC000037479481 181326170 /nfs/dbraw/zinc/32/61/70/181326170.db2.gz ATHNQWALGJGGSJ-UHFFFAOYSA-N 2 0 225.336 0.470 20 0 BCADRP [NH3+][C@@H](C(=O)NCC1([NH3+])CCC1)C1CCC1 ZINC000579003775 366692641 /nfs/dbraw/zinc/69/26/41/366692641.db2.gz QNCVEHIXQXSAHT-SECBINFHSA-N 2 0 211.309 0.111 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)C1 ZINC000579004343 366692840 /nfs/dbraw/zinc/69/28/40/366692840.db2.gz HPZWQYFORJMXAR-KXNHARMFSA-N 2 0 228.336 0.386 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)C1 ZINC000579004344 366693295 /nfs/dbraw/zinc/69/32/95/366693295.db2.gz HPZWQYFORJMXAR-QCNOEVLYSA-N 2 0 228.336 0.386 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000579132841 366721911 /nfs/dbraw/zinc/72/19/11/366721911.db2.gz OMQFHJBAERDYTE-GFCCVEGCSA-N 3 0 229.368 0.018 20 0 BCADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000579132842 366722400 /nfs/dbraw/zinc/72/24/00/366722400.db2.gz OMQFHJBAERDYTE-LBPRGKRZSA-N 3 0 229.368 0.018 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]C)C1)[NH+](CC)CC ZINC000428448341 201017363 /nfs/dbraw/zinc/01/73/63/201017363.db2.gz POWHPISUJQYZGR-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000428439900 201018819 /nfs/dbraw/zinc/01/88/19/201018819.db2.gz NAPBNRDVJIQSPD-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]([NH3+])C1CCC1 ZINC000579228976 366739543 /nfs/dbraw/zinc/73/95/43/366739543.db2.gz UBZFMZNGVFACLK-KKZNHRDASA-N 2 0 225.336 0.310 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])CC(F)F ZINC000579228960 366739838 /nfs/dbraw/zinc/73/98/38/366739838.db2.gz SELHMWKVYDOOCH-CSMHCCOUSA-N 2 0 235.278 0.083 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000622044767 370676958 /nfs/dbraw/zinc/67/69/58/370676958.db2.gz RXVFYYFFOCQRML-UPJWGTAASA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC(C)(C)C[NH3+] ZINC000428915353 201048970 /nfs/dbraw/zinc/04/89/70/201048970.db2.gz JAKCLDPSKYAFQL-NXEZZACHSA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@H](C(=O)NC1CC[NH2+]CC1)[NH+](CC)CC ZINC000428755665 201041961 /nfs/dbraw/zinc/04/19/61/201041961.db2.gz ZWXLWIPCDURHHD-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000428904086 201046864 /nfs/dbraw/zinc/04/68/64/201046864.db2.gz YHELKBLMYWQECO-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP [NH3+]C1(C[NH2+]CCC(=O)NC2CCCC2)CCC1 ZINC000342152902 181330582 /nfs/dbraw/zinc/33/05/82/181330582.db2.gz ZBFWPTCRKNTNLA-UHFFFAOYSA-N 2 0 239.363 0.906 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H]([NH3+])C(C)C ZINC000429142028 201071227 /nfs/dbraw/zinc/07/12/27/201071227.db2.gz MRIIOXKBRWLIMM-SNVBAGLBSA-N 2 0 215.341 0.428 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000429141566 201073202 /nfs/dbraw/zinc/07/32/02/201073202.db2.gz KOILLEFETFHLCS-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H]([NH3+])C(C)C ZINC000429142027 201073306 /nfs/dbraw/zinc/07/33/06/201073306.db2.gz MRIIOXKBRWLIMM-JTQLQIEISA-N 2 0 215.341 0.428 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000429030686 201060833 /nfs/dbraw/zinc/06/08/33/201060833.db2.gz RVPQVZXHTBYWED-GARJFASQSA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@@H](C(=O)NCC[C@@H](C)[NH3+])[NH+](CC)CC ZINC000429035053 201062116 /nfs/dbraw/zinc/06/21/16/201062116.db2.gz LKLCPBWYWQTAHB-MNOVXSKESA-N 2 0 229.368 0.960 20 0 BCADRP [NH3+]C1(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000335629251 181330262 /nfs/dbraw/zinc/33/02/62/181330262.db2.gz RBOJGKJBSYNYMV-UHFFFAOYSA-N 2 0 211.309 0.256 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H](C[NH3+])C1)[NH+](CC)CC ZINC000429066337 201066244 /nfs/dbraw/zinc/06/62/44/201066244.db2.gz SRKLGVCIBXFVAE-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP C[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000429077095 201066495 /nfs/dbraw/zinc/06/64/95/201066495.db2.gz GJFDJZPDHBXFOO-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000429165249 201075584 /nfs/dbraw/zinc/07/55/84/201075584.db2.gz SHUKRAMJXDYTKW-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C1CC[NH+](C)CC1 ZINC000429180140 201075955 /nfs/dbraw/zinc/07/59/55/201075955.db2.gz HSVWGJKHSHAMNR-LLVKDONJSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[NH2+]CC2CC2)[C@@H]1C[NH3+] ZINC000429160288 201076721 /nfs/dbraw/zinc/07/67/21/201076721.db2.gz SAROZNYYVWVBIK-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C[NH3+] ZINC000429192415 201078066 /nfs/dbraw/zinc/07/80/66/201078066.db2.gz QZNCKIZSBMUCOV-WYUUTHIRSA-N 2 0 239.363 0.700 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000429239478 201082754 /nfs/dbraw/zinc/08/27/54/201082754.db2.gz QPVCEONDNUEIFP-SRVKXCTJSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000579332666 366755084 /nfs/dbraw/zinc/75/50/84/366755084.db2.gz VTPYVUBVGADJIQ-USZNOCQGSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000579343041 366763022 /nfs/dbraw/zinc/76/30/22/366763022.db2.gz HQYIXFZXSPBRPS-GARJFASQSA-N 2 0 239.363 0.557 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000429503623 201112587 /nfs/dbraw/zinc/11/25/87/201112587.db2.gz NBKQMWBSQHCUPL-LBPRGKRZSA-N 2 0 227.352 0.429 20 0 BCADRP C[C@H](NCCOCCC[NH3+])[C@H]1CCCC[NH2+]1 ZINC000629536265 361398506 /nfs/dbraw/zinc/39/85/06/361398506.db2.gz FTYLBYBJFSKZPF-NWDGAFQWSA-N 2 0 229.368 0.472 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)CC[C@H](C)[NH3+] ZINC000579353315 366767017 /nfs/dbraw/zinc/76/70/17/366767017.db2.gz ZBHOHQHUIYBQEQ-DTWKUNHWSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@H]([NH2+]CCOCCC[NH3+])[C@@H]1C[C@H]1C ZINC000629536839 361399812 /nfs/dbraw/zinc/39/98/12/361399812.db2.gz JHFKLWNVIMVNPG-OUAUKWLOSA-N 2 0 200.326 0.986 20 0 BCADRP C[C@@H]([NH2+]CCOCCC[NH3+])[C@H]1C[C@H]1C ZINC000629536838 361400030 /nfs/dbraw/zinc/40/00/30/361400030.db2.gz JHFKLWNVIMVNPG-MXWKQRLJSA-N 2 0 200.326 0.986 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000429335027 201100578 /nfs/dbraw/zinc/10/05/78/201100578.db2.gz NTZVMZSLBVTCPC-SDDRHHMPSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000429343740 201101436 /nfs/dbraw/zinc/10/14/36/201101436.db2.gz IPLHOSIFKWIYBO-GXSJLCMTSA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000429323624 201101804 /nfs/dbraw/zinc/10/18/04/201101804.db2.gz XULIYTCCTWPUSF-LLVKDONJSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H](CC(=O)NCCCC[NH3+])C1CC[NH2+]CC1 ZINC000181087800 366784597 /nfs/dbraw/zinc/78/45/97/366784597.db2.gz YENDGJYJJLAVDQ-LLVKDONJSA-N 2 0 241.379 0.867 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])c2nccn21 ZINC000629535327 361410417 /nfs/dbraw/zinc/41/04/17/361410417.db2.gz BZNXSDXTCSXXES-GHMZBOCLSA-N 2 0 238.335 0.844 20 0 BCADRP C[C@@H](CC(=O)NCCCC[NH3+])C1CC[NH2+]CC1 ZINC000181087782 366785499 /nfs/dbraw/zinc/78/54/99/366785499.db2.gz YENDGJYJJLAVDQ-NSHDSACASA-N 2 0 241.379 0.867 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429562205 201116849 /nfs/dbraw/zinc/11/68/49/201116849.db2.gz YYFUTSVBQLYJQY-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP [NH3+]C[C@H](NC(=O)C1(C[NH3+])CCCC1)C1CC1 ZINC000429580203 201118991 /nfs/dbraw/zinc/11/89/91/201118991.db2.gz OKYDSYHJSGJBHD-JTQLQIEISA-N 2 0 225.336 0.359 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000629544092 361413047 /nfs/dbraw/zinc/41/30/47/361413047.db2.gz FANNLEBYRSIRGW-JZRPKSSGSA-N 3 0 223.364 0.715 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000429590989 201122574 /nfs/dbraw/zinc/12/25/74/201122574.db2.gz PTUZGKUQZYZQDW-LLVKDONJSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cnccc1N ZINC000629540620 361415240 /nfs/dbraw/zinc/41/52/40/361415240.db2.gz VUSNZKUSMNFANP-SNVBAGLBSA-N 2 0 238.335 0.510 20 0 BCADRP CC[C@@H]([NH2+]CCOCCC[NH3+])c1ccn(C)n1 ZINC000629539839 361407464 /nfs/dbraw/zinc/40/74/64/361407464.db2.gz RMOYVHCDRLINFP-LLVKDONJSA-N 2 0 240.351 0.826 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOCCC[NH3+] ZINC000629534601 361407494 /nfs/dbraw/zinc/40/74/94/361407494.db2.gz AHDGTHAIUCBEBD-VHSXEESVSA-N 3 0 203.330 0.067 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCOCCC[NH3+])[C@H]1C ZINC000629534846 361408172 /nfs/dbraw/zinc/40/81/72/361408172.db2.gz AXJAFPQFJINDHW-VWYCJHECSA-N 2 0 200.326 0.986 20 0 BCADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1nccn1C ZINC000629535478 361409467 /nfs/dbraw/zinc/40/94/67/361409467.db2.gz DIZABVUMNLXSAE-SNVBAGLBSA-N 2 0 226.324 0.436 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCOCCC[NH3+])c2nccn21 ZINC000629535352 361410114 /nfs/dbraw/zinc/41/01/14/361410114.db2.gz BZNXSDXTCSXXES-MNOVXSKESA-N 2 0 238.335 0.844 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629544096 361422182 /nfs/dbraw/zinc/42/21/82/361422182.db2.gz FANNLEBYRSIRGW-ZOLYEBIHSA-N 3 0 223.364 0.715 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000629544575 361423529 /nfs/dbraw/zinc/42/35/29/361423529.db2.gz IMOSBAYEKIYSDS-YFKTTZPYSA-N 2 0 211.353 0.986 20 0 BCADRP CN(CCOC1CCOCC1)CC(C)(C)[NH3+] ZINC000629545287 361425452 /nfs/dbraw/zinc/42/54/52/361425452.db2.gz LGRKCICEOGCJMI-UHFFFAOYSA-N 2 0 230.352 0.851 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH2+]C1CC1 ZINC000579476212 366822519 /nfs/dbraw/zinc/82/25/19/366822519.db2.gz XCSIQOMGPRPQCP-MWLCHTKSSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629546175 361427744 /nfs/dbraw/zinc/42/77/44/361427744.db2.gz OXUHRYAHHXSKNE-JHJVBQTASA-N 2 0 241.379 0.031 20 0 BCADRP C[C@@H](CCCCO)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629546616 361428802 /nfs/dbraw/zinc/42/88/02/361428802.db2.gz UTIDLRAJOOXTLG-GARJFASQSA-N 2 0 200.326 0.878 20 0 BCADRP C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)C1C[NH2+]C1 ZINC000629549165 361435475 /nfs/dbraw/zinc/43/54/75/361435475.db2.gz QUBXSNUNIWNRMR-UWJYBYFXSA-N 2 0 210.321 0.751 20 0 BCADRP C[C@H]([NH2+]CCN(C)CC(F)F)C1C[NH2+]C1 ZINC000629554988 361436790 /nfs/dbraw/zinc/43/67/90/361436790.db2.gz PDKMEKXIBURAQZ-QMMMGPOBSA-N 2 0 221.295 0.381 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000629549439 361441585 /nfs/dbraw/zinc/44/15/85/361441585.db2.gz VOUPBQSBSPSVOK-NNYUYHANSA-N 2 0 211.353 0.809 20 0 BCADRP C1C[NH2+][C@H]([C@@H]2CCC[C@H]2N[C@@H]2CC[NH2+]C2)C1 ZINC000629554507 361442431 /nfs/dbraw/zinc/44/24/31/361442431.db2.gz JZEJVQJIZCEFJS-MROQNXINSA-N 2 0 223.364 0.859 20 0 BCADRP Cc1nn(C)cc1[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629541931 361417506 /nfs/dbraw/zinc/41/75/06/361417506.db2.gz ULCRNIMLBZUACR-JTQLQIEISA-N 2 0 240.351 0.745 20 0 BCADRP C[C@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC000629542056 361417741 /nfs/dbraw/zinc/41/77/41/361417741.db2.gz XSKTUJFPXDRWFK-GCFWVWJCSA-N 2 0 223.364 1.000 20 0 BCADRP C[C@@H]1CC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C[NH2+]1 ZINC000629542015 361417876 /nfs/dbraw/zinc/41/78/76/361417876.db2.gz WRZRIRZSOWQVPQ-WYUUTHIRSA-N 2 0 211.353 0.986 20 0 BCADRP C[C@@H]([NH2+]CCOCCC[NH3+])C1CCOCC1 ZINC000629542313 361418956 /nfs/dbraw/zinc/41/89/56/361418956.db2.gz YCEZBQLSTUYOQN-LLVKDONJSA-N 2 0 230.352 0.757 20 0 BCADRP CCCNC(=O)[C@@H](C)[N@H+](C)CCOCC[NH2+]C ZINC000629568076 361460512 /nfs/dbraw/zinc/46/05/12/361460512.db2.gz IODMMFGTDZUXNK-LLVKDONJSA-N 2 0 245.367 0.069 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@H](OC)C1CCC1 ZINC000629570691 361460529 /nfs/dbraw/zinc/46/05/29/361460529.db2.gz BAMCIRIAGXTYPM-ZDUSSCGKSA-N 2 0 244.379 0.969 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CCc1cccnc1 ZINC000629569380 361461541 /nfs/dbraw/zinc/46/15/41/361461541.db2.gz BLARFNZCWZPBIN-UHFFFAOYSA-N 2 0 237.347 0.792 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CC1CC[NH2+]CC1 ZINC000629569751 361461626 /nfs/dbraw/zinc/46/16/26/361461626.db2.gz ZFKDMQHCWHTSAW-UHFFFAOYSA-N 3 0 229.368 0.154 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)Cc1cccnc1 ZINC000629571464 361462815 /nfs/dbraw/zinc/46/28/15/361462815.db2.gz VAMDTAYMCVZGRP-UHFFFAOYSA-N 2 0 223.320 0.749 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CC[C@H]1CCCO1 ZINC000629572435 361463935 /nfs/dbraw/zinc/46/39/35/361463935.db2.gz SMTZOPKEBMBWCG-GFCCVEGCSA-N 2 0 230.352 0.723 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)COC ZINC000629571945 361463944 /nfs/dbraw/zinc/46/39/44/361463944.db2.gz UOANQBZNSWVNEX-SNVBAGLBSA-N 2 0 204.314 0.189 20 0 BCADRP C[N@H+](CCOCC[NH3+])CCC1CC[NH2+]CC1 ZINC000629578865 361464549 /nfs/dbraw/zinc/46/45/49/361464549.db2.gz WUZKHEPFDLMUKX-UHFFFAOYSA-N 3 0 229.368 0.283 20 0 BCADRP CCc1nnc([C@@H](C)N(C)CCOCC[NH3+])[nH]1 ZINC000629580717 361469335 /nfs/dbraw/zinc/46/93/35/361469335.db2.gz FLMYDGCLZNSUOK-SECBINFHSA-N 2 0 241.339 0.335 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000629581316 361470900 /nfs/dbraw/zinc/47/09/00/361470900.db2.gz VXTREYZFGBJREW-ZSBIGDGJSA-N 2 0 212.337 0.940 20 0 BCADRP CO[C@H](C[N@H+](C)CCOCC[NH3+])C1CCC1 ZINC000629581347 361471421 /nfs/dbraw/zinc/47/14/21/361471421.db2.gz XERVYMXUZSHGAN-GFCCVEGCSA-N 2 0 230.352 0.709 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCc2c(O)cccc2C1 ZINC000629582565 361472247 /nfs/dbraw/zinc/47/22/47/361472247.db2.gz UUFQFIKFITZYOM-UHFFFAOYSA-N 2 0 236.315 0.726 20 0 BCADRP [NH3+]CCN1CCC[C@@H](C[NH3+])[C@H]1C(F)(F)F ZINC000629581537 361472452 /nfs/dbraw/zinc/47/24/52/361472452.db2.gz APEKBWJVNXEFEA-YUMQZZPRSA-N 2 0 225.258 0.547 20 0 BCADRP C[N@H+](CCC1CC[NH2+]CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582922 361473126 /nfs/dbraw/zinc/47/31/26/361473126.db2.gz ZIDDGQGENNOTSC-TXEJJXNPSA-N 2 0 239.363 0.572 20 0 BCADRP CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000629595544 361481896 /nfs/dbraw/zinc/48/18/96/361481896.db2.gz SACJWTSROJTROL-OLZOCXBDSA-N 2 0 239.363 0.587 20 0 BCADRP CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000629595543 361482160 /nfs/dbraw/zinc/48/21/60/361482160.db2.gz SACJWTSROJTROL-CHWSQXEVSA-N 2 0 239.363 0.587 20 0 BCADRP CN1CC[C@@H]([N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1=O ZINC000629594096 361484858 /nfs/dbraw/zinc/48/48/58/361484858.db2.gz KZIFRBXBDOVDAY-RTXFEEFZSA-N 2 0 237.347 0.149 20 0 BCADRP COC[C@]1(C)C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000629594338 361486451 /nfs/dbraw/zinc/48/64/51/361486451.db2.gz ADOOGCKAZZZEPR-OLZOCXBDSA-N 2 0 242.363 0.723 20 0 BCADRP [NH3+]CCN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563437 361454705 /nfs/dbraw/zinc/45/47/05/361454705.db2.gz PVMDPVRZAPPUOS-HTQZYQBOSA-N 2 0 225.258 0.404 20 0 BCADRP C[C@H]([NH3+])CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561839 361456674 /nfs/dbraw/zinc/45/66/74/361456674.db2.gz JTKMLEQSDXOVDR-DJLDLDEBSA-N 2 0 239.285 0.793 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000629567258 361457775 /nfs/dbraw/zinc/45/77/75/361457775.db2.gz JCAOPNIFMXZEID-GFCCVEGCSA-N 3 0 229.368 0.154 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)[NH+](C)C ZINC000629612699 361498858 /nfs/dbraw/zinc/49/88/58/361498858.db2.gz GKFSNMJRNAZIOM-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000629612501 361499317 /nfs/dbraw/zinc/49/93/17/361499317.db2.gz DLPULAFFFLUOKT-ZJUUUORDSA-N 2 0 213.325 0.147 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000629612462 361499488 /nfs/dbraw/zinc/49/94/88/361499488.db2.gz DCIKYSOAYMFIJY-UWVGGRQHSA-N 2 0 213.325 0.134 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]C)C1)[NH+](C)C ZINC000629612507 361499555 /nfs/dbraw/zinc/49/95/55/361499555.db2.gz DLXYAASQOFJODU-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[NH+](C)C ZINC000629612448 361499567 /nfs/dbraw/zinc/49/95/67/361499567.db2.gz CUTIGWUFOQZFSJ-GMTAPVOTSA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@@H](C(=O)N1CCC(C[NH3+])CC1)[NH+](C)C ZINC000629610974 361500506 /nfs/dbraw/zinc/50/05/06/361500506.db2.gz KOMYHQNEYMWRKU-NSHDSACASA-N 2 0 227.352 0.524 20 0 BCADRP CC[C@@H](C(=O)NC[C@H](C)C[NH3+])[NH+](C)C ZINC000629611768 361501015 /nfs/dbraw/zinc/50/10/15/361501015.db2.gz FLNFUNUVDSCLKQ-BDAKNGLRSA-N 2 0 201.314 0.038 20 0 BCADRP CC[C@@H](C(=O)N1CCC([NH2+]C)CC1)[NH+](C)C ZINC000629613001 361501412 /nfs/dbraw/zinc/50/14/12/361501412.db2.gz GPVXPMYSTIYZRM-NSHDSACASA-N 2 0 227.352 0.537 20 0 BCADRP CC[C@@H](C(=O)NC1CCC([NH3+])CC1)[NH+](C)C ZINC000629615564 361505736 /nfs/dbraw/zinc/50/57/36/361505736.db2.gz VDCRIBFIBWSSND-ILDUYXDCSA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C)[NH+](C)C ZINC000629613064 361506934 /nfs/dbraw/zinc/50/69/34/361506934.db2.gz KWSOZAQIWRVJPX-OUAUKWLOSA-N 2 0 227.352 0.441 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)[NH+](C)C ZINC000629613349 361507507 /nfs/dbraw/zinc/50/75/07/361507507.db2.gz OIPXQZXGRDXYKL-PWSUYJOCSA-N 2 0 227.352 0.524 20 0 BCADRP CC[C@H](C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)[NH+](C)C ZINC000629613641 361507928 /nfs/dbraw/zinc/50/79/28/361507928.db2.gz PZUXJAVEPJMLJU-WZRBSPASSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1)[NH+](C)C ZINC000629613751 361508436 /nfs/dbraw/zinc/50/84/36/361508436.db2.gz SAZQKOFLEAVCAW-WOPDTQHZSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)F)[NH+](C)C ZINC000629613800 361508486 /nfs/dbraw/zinc/50/84/86/361508486.db2.gz SXBIZNJXPSTPRP-YUMQZZPRSA-N 2 0 237.294 0.425 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H](CC)[NH+](C)C ZINC000629614380 361510049 /nfs/dbraw/zinc/51/00/49/361510049.db2.gz ZVXJZCVXXHQYRU-RKDXNWHRSA-N 2 0 201.314 0.180 20 0 BCADRP CC[C@H](C(=O)N(C)CC(C)(C)[NH3+])[NH+](C)C ZINC000629614552 361510069 /nfs/dbraw/zinc/51/00/69/361510069.db2.gz HVPQOKGXJJUTDS-SECBINFHSA-N 2 0 215.341 0.522 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000163595466 361520563 /nfs/dbraw/zinc/52/05/63/361520563.db2.gz RTFREHCGZIXSED-RKDXNWHRSA-N 2 0 233.381 0.133 20 0 BCADRP CC[C@@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)[NH+](C)C ZINC000629612370 361497721 /nfs/dbraw/zinc/49/77/21/361497721.db2.gz AZUPNRYEAFHJGL-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP Cc1cnccc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000629648613 361542406 /nfs/dbraw/zinc/54/24/06/361542406.db2.gz XLTMYPSOXAFNCO-UHFFFAOYSA-N 2 0 234.347 0.385 20 0 BCADRP C[C@]1(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC[NH2+]C1 ZINC000152089394 201188767 /nfs/dbraw/zinc/18/87/67/201188767.db2.gz QJIKIWBWOFIOPO-OCCSQVGLSA-N 2 0 247.342 0.802 20 0 BCADRP C[C@@]1(C(=O)NC[C@H]([NH3+])c2ccccc2)CC[NH2+]C1 ZINC000152089304 201189147 /nfs/dbraw/zinc/18/91/47/201189147.db2.gz QJIKIWBWOFIOPO-GXTWGEPZSA-N 2 0 247.342 0.802 20 0 BCADRP CCn1cc(C[N@H+](C)CCOCC[NH2+]C)cn1 ZINC000629653031 361551316 /nfs/dbraw/zinc/55/13/16/361551316.db2.gz KRRYXJFVUHLANZ-UHFFFAOYSA-N 2 0 240.351 0.571 20 0 BCADRP COC[C@H](C)C[NH2+]CC1([NH3+])CCOCC1 ZINC000629653013 361551388 /nfs/dbraw/zinc/55/13/88/361551388.db2.gz DVEPAWYAAXQRGY-SNVBAGLBSA-N 2 0 216.325 0.366 20 0 BCADRP CC(C)C[C@@H]([NH3+])CNCC1([NH3+])CCOCC1 ZINC000629653965 361554768 /nfs/dbraw/zinc/55/47/68/361554768.db2.gz KMHLTQFAILNCOK-LLVKDONJSA-N 2 0 229.368 0.457 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@@]13C[C@@H]1C[NH2+]C3)C2 ZINC000629661100 361594780 /nfs/dbraw/zinc/59/47/80/361594780.db2.gz ASDKNIMEIQFFNQ-MQYQWHSLSA-N 2 0 235.375 0.527 20 0 BCADRP Cc1cnccc1C[NH2+]CCOCCC[NH3+] ZINC000629677855 361600650 /nfs/dbraw/zinc/60/06/50/361600650.db2.gz HXJYTRHVASVLRA-UHFFFAOYSA-N 2 0 223.320 0.845 20 0 BCADRP CC(C)(C)[NH2+]CCNCCOCCC[NH3+] ZINC000629678790 361600805 /nfs/dbraw/zinc/60/08/05/361600805.db2.gz KIBCTTBWBIFUPH-UHFFFAOYSA-N 2 0 217.357 0.330 20 0 BCADRP CC(C)n1nccc1C[NH2+]CCOCCC[NH3+] ZINC000629677830 361600832 /nfs/dbraw/zinc/60/08/32/361600832.db2.gz HQGRPEJSDBFEMQ-UHFFFAOYSA-N 2 0 240.351 0.919 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@@]1(C)CC[NH2+]C1)C2 ZINC000629670273 361589856 /nfs/dbraw/zinc/58/98/56/361589856.db2.gz ZUUXUFZWKRVONX-MELADBBJSA-N 2 0 237.391 0.917 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000434681613 201233550 /nfs/dbraw/zinc/23/35/50/201233550.db2.gz QGSIDZNKAGUJHQ-GARJFASQSA-N 2 0 227.352 0.842 20 0 BCADRP CCC[N@H+](C)CC(=O)NC1(C)CC[NH2+]CC1 ZINC000434697570 201234154 /nfs/dbraw/zinc/23/41/54/201234154.db2.gz QEQCFDJBSJQIIU-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)[NH+](C)C ZINC000434703491 201235578 /nfs/dbraw/zinc/23/55/78/201235578.db2.gz UISCCZSTPGPNRC-QJPTWQEYSA-N 2 0 241.379 0.829 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000434707045 201236179 /nfs/dbraw/zinc/23/61/79/201236179.db2.gz PFZXBEVXLLRBQO-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000434707044 201237112 /nfs/dbraw/zinc/23/71/12/201237112.db2.gz PFZXBEVXLLRBQO-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)[NH2+]1 ZINC000153425183 201237704 /nfs/dbraw/zinc/23/77/04/201237704.db2.gz BLYLQVYACMVYPH-YTWAJWBKSA-N 2 0 225.336 0.323 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435234203 201256807 /nfs/dbraw/zinc/25/68/07/201256807.db2.gz FNOABCWBHTVEJR-WDEREUQCSA-N 2 0 225.336 0.467 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435234202 201256971 /nfs/dbraw/zinc/25/69/71/201256971.db2.gz FNOABCWBHTVEJR-QWRGUYRKSA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000154234813 201269441 /nfs/dbraw/zinc/26/94/41/201269441.db2.gz NSWYNXPHBZHRKT-AXFHLTTASA-N 2 0 227.352 0.569 20 0 BCADRP [NH3+]C1CCC(NC(=O)C2([NH3+])CCCC2)CC1 ZINC000051694846 181341506 /nfs/dbraw/zinc/34/15/06/181341506.db2.gz XBKATKBJVKHTSE-UHFFFAOYSA-N 2 0 225.336 0.644 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000435881480 201292083 /nfs/dbraw/zinc/29/20/83/201292083.db2.gz BHCVGUAQYXUWQE-ZDUSSCGKSA-N 2 0 241.379 0.393 20 0 BCADRP C[NH2+]CCC[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000435879892 201292340 /nfs/dbraw/zinc/29/23/40/201292340.db2.gz GCFXFLPIMPYKHZ-QWHCGFSZSA-N 2 0 241.379 0.248 20 0 BCADRP CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436058333 201308056 /nfs/dbraw/zinc/30/80/56/201308056.db2.gz IOCJCQLRTHGLLO-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000435876932 201292912 /nfs/dbraw/zinc/29/29/12/201292912.db2.gz LTNAXAZQJUKCOH-LBPRGKRZSA-N 2 0 237.351 0.600 20 0 BCADRP CC[C@@H]1CN(CCC[NH2+]C)CC[N@@H+]1CCOC ZINC000435872542 201293905 /nfs/dbraw/zinc/29/39/05/201293905.db2.gz PIJHNPLQJANHSF-CYBMUJFWSA-N 2 0 243.395 0.639 20 0 BCADRP C[NH2+]C[C@](C)(O)C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000579482921 366827722 /nfs/dbraw/zinc/82/77/22/366827722.db2.gz KCYMSUUWPPUYEL-DCAQKATOSA-N 2 0 232.393 0.783 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627246167 363849932 /nfs/dbraw/zinc/84/99/32/363849932.db2.gz XUZBJLNXVCQSGS-HBNTYKKESA-N 2 0 240.351 0.130 20 0 BCADRP [NH3+]CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000040804901 181351833 /nfs/dbraw/zinc/35/18/33/181351833.db2.gz MIDNPQGMTPQNMU-ZDUSSCGKSA-N 2 0 247.342 0.898 20 0 BCADRP [NH3+]CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000040804899 181353251 /nfs/dbraw/zinc/35/32/51/181353251.db2.gz MIDNPQGMTPQNMU-CYBMUJFWSA-N 2 0 247.342 0.898 20 0 BCADRP C[N@@H+]1CCCC[C@H](CNC2=[NH+]CCCN2)C1 ZINC000630387359 364102195 /nfs/dbraw/zinc/10/21/95/364102195.db2.gz NLKQAVHSUFRKAP-LLVKDONJSA-N 2 0 224.352 0.657 20 0 BCADRP [NH3+]CC1(NC(=O)[C@]2(F)CC[NH2+]C2)CCCC1 ZINC000371217404 181360505 /nfs/dbraw/zinc/36/05/05/181360505.db2.gz BBCFNVBVWZLAGX-NSHDSACASA-N 2 0 229.299 0.076 20 0 BCADRP [NH3+]CC1(NC(=O)[C@@]2(F)CC[NH2+]C2)CCCC1 ZINC000371217403 181360824 /nfs/dbraw/zinc/36/08/24/181360824.db2.gz BBCFNVBVWZLAGX-LLVKDONJSA-N 2 0 229.299 0.076 20 0 BCADRP [NH3+]CC1(NC(=O)[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000131864704 181360848 /nfs/dbraw/zinc/36/08/48/181360848.db2.gz OOXFDIHVVHLIHY-SNVBAGLBSA-N 2 0 225.336 0.374 20 0 BCADRP [NH3+]CC1(C(=O)N[C@H]2CCC[NH2+]C2)CCCC1 ZINC000238008738 181359241 /nfs/dbraw/zinc/35/92/41/181359241.db2.gz SEDTWISQNZIGHS-JTQLQIEISA-N 2 0 225.336 0.374 20 0 BCADRP [NH3+]CCCCc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630605336 364323593 /nfs/dbraw/zinc/32/35/93/364323593.db2.gz IFYLZQOWLZRAIH-SNVBAGLBSA-N 2 0 223.324 0.312 20 0 BCADRP CC[C@H]([NH3+])c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630604500 364328532 /nfs/dbraw/zinc/32/85/32/364328532.db2.gz AQZRBWPOVWFXPU-BDAKNGLRSA-N 2 0 209.297 0.440 20 0 BCADRP CC[C@](C)([NH3+])c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630604489 364328659 /nfs/dbraw/zinc/32/86/59/364328659.db2.gz ALRSSPWUMSMGEW-ONGXEEELSA-N 2 0 223.324 0.614 20 0 BCADRP CC(C)([NH3+])c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607302 364333274 /nfs/dbraw/zinc/33/32/74/364333274.db2.gz GDAXKJBADGEXLF-UHFFFAOYSA-N 2 0 231.303 0.920 20 0 BCADRP c1c(C2CC[NH2+]CC2)nnn1C[C@H]1CCC[NH2+]1 ZINC000630605484 364336058 /nfs/dbraw/zinc/33/60/58/364336058.db2.gz JJIFJYJVQCMIDA-LLVKDONJSA-N 2 0 235.335 0.497 20 0 BCADRP [NH3+]CC1CCC([NH2+][C@H]2CCCNC2)CC1 ZINC000334865538 181364153 /nfs/dbraw/zinc/36/41/53/181364153.db2.gz UZIBMISSSIRYFD-MCIGGMRASA-N 2 0 211.353 0.846 20 0 BCADRP CCCN(C(=O)[C@H](C)[NH2+]C)C1CC[NH2+]CC1 ZINC000579493817 366831882 /nfs/dbraw/zinc/83/18/82/366831882.db2.gz UIJUNEBAJHUOLA-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+]CC1CC[NH+](CCn2cccn2)CC1 ZINC000049314769 181364912 /nfs/dbraw/zinc/36/49/12/181364912.db2.gz FBTUUNWXWRLLJZ-UHFFFAOYSA-N 2 0 208.309 0.554 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000373565227 181366504 /nfs/dbraw/zinc/36/65/04/181366504.db2.gz ZEPSVZVHHVLRPI-GHMZBOCLSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]CCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826161 181366632 /nfs/dbraw/zinc/36/66/32/181366632.db2.gz SBGGYHHLYRUHSA-UHFFFAOYSA-N 2 0 239.363 0.670 20 0 BCADRP [NH3+]CCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000237858290 181367884 /nfs/dbraw/zinc/36/78/84/181367884.db2.gz PSVLODUYVWORGO-UHFFFAOYSA-N 2 0 227.352 0.764 20 0 BCADRP COC[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)OC ZINC000227711414 541371905 /nfs/dbraw/zinc/37/19/05/541371905.db2.gz RKOQRQBSHZXVGW-DGCLKSJQSA-N 2 0 244.379 0.968 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H](C)[NH+](C)C ZINC000573321849 364798159 /nfs/dbraw/zinc/79/81/59/364798159.db2.gz AIUUJWRPSYIMHR-AEJSXWLSSA-N 2 0 230.356 0.362 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)c1ccccc1CC[NH3+] ZINC000573333872 364801873 /nfs/dbraw/zinc/80/18/73/364801873.db2.gz GOKQKNUSPDCXSO-LLVKDONJSA-N 2 0 249.358 0.773 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371226604 181371116 /nfs/dbraw/zinc/37/11/16/181371116.db2.gz CCPWZSJBZVGTPE-VXGBXAGGSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000573266192 364790314 /nfs/dbraw/zinc/79/03/14/364790314.db2.gz WHFWDWUQDDOISW-GWCFXTLKSA-N 2 0 247.342 0.679 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000573566062 364862945 /nfs/dbraw/zinc/86/29/45/364862945.db2.gz VNEPXQKUXGSWNB-MWLCHTKSSA-N 2 0 213.325 0.372 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1CC[NH2+][C@@H]1CC ZINC000573548337 364857760 /nfs/dbraw/zinc/85/77/60/364857760.db2.gz ZHSWLCMGWCHJCD-WDEREUQCSA-N 2 0 227.352 0.490 20 0 BCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH3+] ZINC000573368577 364811886 /nfs/dbraw/zinc/81/18/86/364811886.db2.gz NPVFCLNWHTZWQU-LLVKDONJSA-N 2 0 227.352 0.666 20 0 BCADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000573379506 364816845 /nfs/dbraw/zinc/81/68/45/364816845.db2.gz KGSIPURPXXJCDZ-JQWIXIFHSA-N 3 0 229.368 0.016 20 0 BCADRP O=C([C@H]1CCCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000573446129 364835686 /nfs/dbraw/zinc/83/56/86/364835686.db2.gz PLJOUUNFVCMIHV-SDDRHHMPSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000573466032 364841904 /nfs/dbraw/zinc/84/19/04/364841904.db2.gz GQEPBAJZDWTQDA-LLVKDONJSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@]1(CN[C@H](CC[NH3+])C(F)(F)F)CC[NH2+]C1 ZINC000573488670 364845547 /nfs/dbraw/zinc/84/55/47/364845547.db2.gz BPABQNDYXIFFGA-RKDXNWHRSA-N 2 0 239.285 0.855 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H](CC[NH3+])C(F)F ZINC000573487690 364845718 /nfs/dbraw/zinc/84/57/18/364845718.db2.gz JJTAVLNWGGFWTB-XCBNKYQSSA-N 2 0 237.294 0.603 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CC[N@H+](C)C[C@H]1CC ZINC000573584113 364868626 /nfs/dbraw/zinc/86/86/26/364868626.db2.gz VPEXGZUWAGNDDU-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@@H]1CC1(C)C ZINC000573675003 364889661 /nfs/dbraw/zinc/88/96/61/364889661.db2.gz ZEPGJEVVUWYDAC-MNOVXSKESA-N 2 0 239.363 0.442 20 0 BCADRP CN(C)C(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000069730029 541386201 /nfs/dbraw/zinc/38/62/01/541386201.db2.gz FEIMKBWEAANQBX-UHFFFAOYSA-N 2 0 213.325 0.135 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@@H]2O)C[C@@H]1[NH3+] ZINC000328525606 364865521 /nfs/dbraw/zinc/86/55/21/364865521.db2.gz UAJRZGYJBNHKJC-RHYQMDGZSA-N 2 0 212.337 0.817 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000573786582 364915247 /nfs/dbraw/zinc/91/52/47/364915247.db2.gz VQHVYGJHSQYKSQ-KWBADKCTSA-N 2 0 247.342 0.725 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000573701486 364897909 /nfs/dbraw/zinc/89/79/09/364897909.db2.gz WYXFDEJDUZEBOE-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000573844465 364929730 /nfs/dbraw/zinc/92/97/30/364929730.db2.gz WWVOEXFUVUKVDP-ZJUUUORDSA-N 2 0 213.325 0.039 20 0 BCADRP CC[NH2+]CC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000573847654 364929750 /nfs/dbraw/zinc/92/97/50/364929750.db2.gz OUNDBROOQNFSSC-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP CC[NH2+]CC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000573847648 364929780 /nfs/dbraw/zinc/92/97/80/364929780.db2.gz OUNDBROOQNFSSC-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+]CCCC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000362287438 181373624 /nfs/dbraw/zinc/37/36/24/181373624.db2.gz VRTQXJJOEKOWRH-UHFFFAOYSA-N 2 0 234.303 0.405 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)CCCC[NH3+])C1CC1 ZINC000573918600 364945280 /nfs/dbraw/zinc/94/52/80/364945280.db2.gz UOLKHUYDDSWGJR-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]([NH2+]C[C@@H](O)CN(C)C)C1CC[NH+](C)CC1 ZINC000154387242 541417476 /nfs/dbraw/zinc/41/74/76/541417476.db2.gz FAXPTYBCOPHMQV-WCQYABFASA-N 2 0 243.395 0.229 20 0 BCADRP CC[C@H](O)C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000574083376 364983582 /nfs/dbraw/zinc/98/35/82/364983582.db2.gz AZZRAUHBBUDMAO-NEPJUHHUSA-N 2 0 230.352 0.194 20 0 BCADRP [NH3+]CCCN(CC1CCCC1)C(=O)C1C[NH2+]C1 ZINC000357383285 181380289 /nfs/dbraw/zinc/38/02/89/181380289.db2.gz UUUVMPVQRIMAIC-UHFFFAOYSA-N 2 0 239.363 0.573 20 0 BCADRP [NH3+]CCCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000377163392 181382578 /nfs/dbraw/zinc/38/25/78/181382578.db2.gz AQICYVWVOIENPN-CMPLNLGQSA-N 2 0 225.336 0.231 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@@H]([NH3+])CC(F)F)C1CC1 ZINC000574400220 365054082 /nfs/dbraw/zinc/05/40/82/365054082.db2.gz CMMFHMRAKLLTIJ-OIBJUYFYSA-N 2 0 235.278 0.213 20 0 BCADRP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000574401409 365054273 /nfs/dbraw/zinc/05/42/73/365054273.db2.gz KUQAPNCPYHIIJI-AGIUHOORSA-N 2 0 245.326 0.418 20 0 BCADRP [NH3+]CCN(CCc1ccccc1)C(=O)C1C[NH2+]C1 ZINC000357237743 181390498 /nfs/dbraw/zinc/39/04/98/181390498.db2.gz FUOIEGLFTKNHSI-UHFFFAOYSA-N 2 0 247.342 0.236 20 0 BCADRP COC[C@H](O)C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000574311814 365035428 /nfs/dbraw/zinc/03/54/28/365035428.db2.gz BYTOSVVRCDJHKF-CHWSQXEVSA-N 2 0 244.379 0.848 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H](C)C[NH3+] ZINC000574319530 365036075 /nfs/dbraw/zinc/03/60/75/365036075.db2.gz WBFABCBTGGBXMK-CIUDSAMLSA-N 2 0 216.329 0.006 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000574527412 365083781 /nfs/dbraw/zinc/08/37/81/365083781.db2.gz CUALPMOPHGFVCM-SQLBVSGCSA-N 2 0 225.336 0.454 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000574548559 365087433 /nfs/dbraw/zinc/08/74/33/365087433.db2.gz IRGFKGPGWIYIHH-MNOVXSKESA-N 2 0 227.352 0.490 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000574548560 365088134 /nfs/dbraw/zinc/08/81/34/365088134.db2.gz IRGFKGPGWIYIHH-QWRGUYRKSA-N 2 0 227.352 0.490 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000574568756 365092177 /nfs/dbraw/zinc/09/21/77/365092177.db2.gz ALVZCEAWSKUWJK-UMNHJUIQSA-N 2 0 225.336 0.086 20 0 BCADRP C[NH2+][C@@H](C)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000574650536 365113628 /nfs/dbraw/zinc/11/36/28/365113628.db2.gz CJONWIIZRUSOEQ-WCBMZHEXSA-N 2 0 248.330 0.444 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000574688979 365121436 /nfs/dbraw/zinc/12/14/36/365121436.db2.gz WIACHGOMEABKBK-ZWNOBZJWSA-N 2 0 239.363 0.490 20 0 BCADRP COC(=O)CC[N@H+](CCC[NH3+])C[C@@H]1CCCO1 ZINC000574858846 365160036 /nfs/dbraw/zinc/16/00/36/365160036.db2.gz DCJRYYHPKMAPGN-NSHDSACASA-N 2 0 244.335 0.379 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000574873421 365163558 /nfs/dbraw/zinc/16/35/58/365163558.db2.gz QTOZTPQYRMDMHK-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000574878673 365166400 /nfs/dbraw/zinc/16/64/00/365166400.db2.gz WDEKUURULKCRIE-OLZOCXBDSA-N 2 0 244.379 0.584 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000575047419 365176522 /nfs/dbraw/zinc/17/65/22/365176522.db2.gz QDCKIHZFNSGKNY-SNVBAGLBSA-N 2 0 235.331 0.617 20 0 BCADRP [NH3+]CCCCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000575058742 365182622 /nfs/dbraw/zinc/18/26/22/365182622.db2.gz SFCCZPHLWQQLSB-NSHDSACASA-N 2 0 227.352 0.621 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000574809818 365145898 /nfs/dbraw/zinc/14/58/98/365145898.db2.gz SZNVAEKCIAXJFI-PSASIEDQSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000574809821 365146474 /nfs/dbraw/zinc/14/64/74/365146474.db2.gz SZNVAEKCIAXJFI-WCBMZHEXSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H](C(=O)N1CCCC[C@@H]1C[NH3+])[C@H](C)[NH3+] ZINC000191987373 365219449 /nfs/dbraw/zinc/21/94/49/365219449.db2.gz BFFPHDIFHAZJGI-KXUCPTDWSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000191987495 365219865 /nfs/dbraw/zinc/21/98/65/365219865.db2.gz FCQREVOTLDTKQH-BBBLOLIVSA-N 2 0 227.352 0.556 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000372503154 181421020 /nfs/dbraw/zinc/42/10/20/181421020.db2.gz ILRXYYUOIIGUDS-CMPLNLGQSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000575121390 365210762 /nfs/dbraw/zinc/21/07/62/365210762.db2.gz NUNRXACEZRCPJP-AXFHLTTASA-N 2 0 242.367 0.411 20 0 BCADRP C[C@]1(C[NH2+]CC[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000575123286 365212308 /nfs/dbraw/zinc/21/23/08/365212308.db2.gz ARFRSKOKRKELFU-VXGBXAGGSA-N 3 0 211.353 0.575 20 0 BCADRP C[C@@]1(C[NH2+]CC[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000575123285 365212911 /nfs/dbraw/zinc/21/29/11/365212911.db2.gz ARFRSKOKRKELFU-RYUDHWBXSA-N 3 0 211.353 0.575 20 0 BCADRP CCCN(C(=O)[C@H](C)[C@@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000192086655 365274691 /nfs/dbraw/zinc/27/46/91/365274691.db2.gz LCEWJMNYBRCRRI-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP O=C(NCC[NH2+]C1CCCCCC1)[C@H]1CC[NH2+]1 ZINC000444157792 193038667 /nfs/dbraw/zinc/03/86/67/193038667.db2.gz OQRMBSKYYHBJEB-GFCCVEGCSA-N 2 0 239.363 0.777 20 0 BCADRP C[NH+](C)CCN(C(=O)[C@H]1CC[NH2+]1)c1ccccc1 ZINC000444173881 193039450 /nfs/dbraw/zinc/03/94/50/193039450.db2.gz DVJSPKLNBPHDLJ-CYBMUJFWSA-N 2 0 247.342 0.943 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444176211 193039462 /nfs/dbraw/zinc/03/94/62/193039462.db2.gz OEGPPWHQWAUFEB-DGCLKSJQSA-N 2 0 239.363 0.444 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)co1 ZINC000444177245 193039906 /nfs/dbraw/zinc/03/99/06/193039906.db2.gz UFHXEUZTTKSKRP-JTQLQIEISA-N 2 0 249.314 0.705 20 0 BCADRP O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444167463 193040382 /nfs/dbraw/zinc/04/03/82/193040382.db2.gz LPHDRAPAWSMLGR-WCQYABFASA-N 2 0 237.347 0.198 20 0 BCADRP O=C(NCCc1cn2c(n1)CCCC2)[C@H]1CC[NH2+]1 ZINC000444178462 193040406 /nfs/dbraw/zinc/04/04/06/193040406.db2.gz ARTYSRQGNSFQBF-LLVKDONJSA-N 2 0 248.330 0.240 20 0 BCADRP C[N@H+](CCNC(=O)c1coc(C[NH3+])c1)C1CC1 ZINC000444192178 193041184 /nfs/dbraw/zinc/04/11/84/193041184.db2.gz YFBSHGAULACCAW-UHFFFAOYSA-N 2 0 237.303 0.562 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000444272914 193042224 /nfs/dbraw/zinc/04/22/24/193042224.db2.gz ZCZBUHDNPPXZER-NTZNESFSSA-N 2 0 239.363 0.762 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444257995 193042231 /nfs/dbraw/zinc/04/22/31/193042231.db2.gz GLVWNYVDGWMIAT-SECBINFHSA-N 2 0 234.303 0.366 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444269006 193043538 /nfs/dbraw/zinc/04/35/38/193043538.db2.gz SVIATWUEFQZOMC-HBNTYKKESA-N 2 0 227.352 0.618 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH2+]2)[C@@H](C)C1 ZINC000444266325 193043542 /nfs/dbraw/zinc/04/35/42/193043542.db2.gz DIBKBRWGGPKJFU-QJPTWQEYSA-N 2 0 239.363 0.537 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000444270441 193043819 /nfs/dbraw/zinc/04/38/19/193043819.db2.gz QQGFWJYNKZGCGK-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444262326 193043916 /nfs/dbraw/zinc/04/39/16/193043916.db2.gz ALPZNSCPDZQZFA-GHMZBOCLSA-N 2 0 227.352 0.762 20 0 BCADRP CC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000379786964 365270773 /nfs/dbraw/zinc/27/07/73/365270773.db2.gz IDXUOOLJPAYNDZ-YUSALJHKSA-N 2 0 212.337 0.830 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000575182034 365229554 /nfs/dbraw/zinc/22/95/54/365229554.db2.gz QEDJDVPJYBSIIE-XWLWVQCSSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000575182033 365229779 /nfs/dbraw/zinc/22/97/79/365229779.db2.gz QEDJDVPJYBSIIE-DBIOUOCHSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000575399971 365308631 /nfs/dbraw/zinc/30/86/31/365308631.db2.gz DIZBRSHNRMZICM-QWRGUYRKSA-N 2 0 241.379 0.866 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000575400301 365309921 /nfs/dbraw/zinc/30/99/21/365309921.db2.gz YFLCVRZWBZVSFH-VXGBXAGGSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000575400299 365310025 /nfs/dbraw/zinc/31/00/25/365310025.db2.gz YFLCVRZWBZVSFH-NWDGAFQWSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000575922255 365414942 /nfs/dbraw/zinc/41/49/42/365414942.db2.gz PJRFAKWATHTCQR-AOOOYVTPSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000575921348 365415007 /nfs/dbraw/zinc/41/50/07/365415007.db2.gz SWOLSCIHLOKHCS-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000575921347 365415038 /nfs/dbraw/zinc/41/50/38/365415038.db2.gz SWOLSCIHLOKHCS-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP [NH3+]CCC[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000575994720 365440676 /nfs/dbraw/zinc/44/06/76/365440676.db2.gz UISXFNCLXRUDOG-ZJUUUORDSA-N 2 0 216.350 0.542 20 0 BCADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000576099223 365483181 /nfs/dbraw/zinc/48/31/81/365483181.db2.gz LHVYSLIYAJAWSB-HHHUOAJASA-N 2 0 228.336 0.506 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000576134425 365497716 /nfs/dbraw/zinc/49/77/16/365497716.db2.gz CHYROCVPOPYMJS-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000564838447 325814565 /nfs/dbraw/zinc/81/45/65/325814565.db2.gz MBVMQFGSXQHNSC-ZJUUUORDSA-N 2 0 227.352 0.346 20 0 BCADRP [NH3+]CCCCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000579707899 366985360 /nfs/dbraw/zinc/98/53/60/366985360.db2.gz CDIQJCLCKNPBFV-ZDUSSCGKSA-N 2 0 239.363 0.718 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000579709125 366986940 /nfs/dbraw/zinc/98/69/40/366986940.db2.gz WQZGUAMNRREDKW-SCZZXKLOSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000579712377 366987578 /nfs/dbraw/zinc/98/75/78/366987578.db2.gz UDXRMGZNBMVBEK-UWVGGRQHSA-N 2 0 239.363 0.713 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000579833703 367038550 /nfs/dbraw/zinc/03/85/50/367038550.db2.gz FUJVGZNEISFAJR-NMKXLXIOSA-N 2 0 249.358 0.054 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CCCC[NH3+] ZINC000579839708 367042677 /nfs/dbraw/zinc/04/26/77/367042677.db2.gz PAKBFDWDKVIULL-CKYFFXLPSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)CC[NH2+]C1CC1 ZINC000579858245 367054371 /nfs/dbraw/zinc/05/43/71/367054371.db2.gz VVYAFSZBOPIEOF-BDAKNGLRSA-N 2 0 213.325 0.371 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000579859404 367056328 /nfs/dbraw/zinc/05/63/28/367056328.db2.gz QSFFTLOYYNAMJF-MNOVXSKESA-N 2 0 227.352 0.348 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000579950702 367095478 /nfs/dbraw/zinc/09/54/78/367095478.db2.gz OLAMOIWFELJNAX-LBPRGKRZSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000580714889 367149366 /nfs/dbraw/zinc/14/93/66/367149366.db2.gz MYUFUGNSSIQYKX-STQMWFEESA-N 2 0 241.379 0.296 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000580726687 367151700 /nfs/dbraw/zinc/15/17/00/367151700.db2.gz ZTTZAMPYQVXOFH-RYUDHWBXSA-N 2 0 241.379 0.973 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+]C1CC1 ZINC000581180493 367285512 /nfs/dbraw/zinc/28/55/12/367285512.db2.gz PAJIJDMLELTJIJ-ONGXEEELSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000581249614 367308154 /nfs/dbraw/zinc/30/81/54/367308154.db2.gz AJBBSVGAFIPHGQ-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H](C)[N@H+](C)C[C@H](O)CN(C)CCOC ZINC000380971547 367326036 /nfs/dbraw/zinc/32/60/36/367326036.db2.gz APWHGKLVMCSBEV-VXGBXAGGSA-N 2 0 232.368 0.656 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C[C@@H]1CCC[NH2+]C1 ZINC000381362841 367387756 /nfs/dbraw/zinc/38/77/56/367387756.db2.gz FKLMBQMSAHWEDL-UTUOFQBUSA-N 3 0 211.353 0.655 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000381382078 367391955 /nfs/dbraw/zinc/39/19/55/367391955.db2.gz KVSACAYCBQDRJC-UWVGGRQHSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)CC[C@H](C)[NH3+])C1 ZINC000581369014 367400039 /nfs/dbraw/zinc/40/00/39/367400039.db2.gz XXXPLWVPORXOHH-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000581370647 367401826 /nfs/dbraw/zinc/40/18/26/367401826.db2.gz PJLNSZYCCNKHDL-JFUSQASVSA-N 2 0 249.314 0.368 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C[C@@]1(C)CC[NH2+]C1 ZINC000381438777 367404258 /nfs/dbraw/zinc/40/42/58/367404258.db2.gz YPLUTMYGKNYEDY-WOPDTQHZSA-N 2 0 211.353 0.655 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C[C@]1(C)CC[NH2+]C1 ZINC000381438765 367404274 /nfs/dbraw/zinc/40/42/74/367404274.db2.gz YPLUTMYGKNYEDY-GRYCIOLGSA-N 2 0 211.353 0.655 20 0 BCADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000381444561 367404813 /nfs/dbraw/zinc/40/48/13/367404813.db2.gz FJMDKTUJPGZCOH-FOUMNBMASA-N 2 0 224.348 0.972 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)c1ccnc(C[NH3+])c1 ZINC000565362207 325901237 /nfs/dbraw/zinc/90/12/37/325901237.db2.gz DMWFPSZZFRPETA-MRVPVSSYSA-N 2 0 222.292 0.007 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)C[NH2+]C1CC1 ZINC000382163711 367491546 /nfs/dbraw/zinc/49/15/46/367491546.db2.gz UIHDKMMZHBOWNR-UHFFFAOYSA-N 2 0 213.325 0.372 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)C[NH2+]C)CC1 ZINC000381851234 367463214 /nfs/dbraw/zinc/46/32/14/367463214.db2.gz SOHVRWSDVCETDQ-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000581498769 367526776 /nfs/dbraw/zinc/52/67/76/367526776.db2.gz JUBJXKJHSPCKEW-VHSXEESVSA-N 2 0 225.336 0.324 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000382555813 367538266 /nfs/dbraw/zinc/53/82/66/367538266.db2.gz JOPWTJZSYKEBCR-GARJFASQSA-N 2 0 216.325 0.243 20 0 BCADRP C[NH2+]CC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000581549208 367578555 /nfs/dbraw/zinc/57/85/55/367578555.db2.gz DBLSBFKYXFWIID-NWDGAFQWSA-N 2 0 233.315 0.078 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000382965266 367574961 /nfs/dbraw/zinc/57/49/61/367574961.db2.gz PUVXNAKOQUIRLR-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000581547520 367575831 /nfs/dbraw/zinc/57/58/31/367575831.db2.gz GZOVZIGEFVZLDN-WCQYABFASA-N 2 0 249.358 0.800 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000382974682 367576324 /nfs/dbraw/zinc/57/63/24/367576324.db2.gz SEAIPOPLFGQNEC-ZYHUDNBSSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCC[NH+](C)C ZINC000383316378 367612642 /nfs/dbraw/zinc/61/26/42/367612642.db2.gz IVXNDFWVXVXKPB-SECBINFHSA-N 2 0 213.325 0.195 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000581617592 367637863 /nfs/dbraw/zinc/63/78/63/367637863.db2.gz WZBBVVSJTKHGBN-BMQDGWLCSA-N 2 0 225.336 0.324 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000581666241 367666326 /nfs/dbraw/zinc/66/63/26/367666326.db2.gz JLDMNQORFYBXNT-WZRBSPASSA-N 2 0 237.347 0.244 20 0 BCADRP CCCC[NH+]1CCC(NC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000384788818 367732462 /nfs/dbraw/zinc/73/24/62/367732462.db2.gz RHCBNTYMVHQGAZ-GFCCVEGCSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000384798449 367734249 /nfs/dbraw/zinc/73/42/49/367734249.db2.gz BRLXGLNEDZBYAW-GHMZBOCLSA-N 2 0 225.336 0.195 20 0 BCADRP O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1CC[NH2+]1 ZINC000384839431 367740091 /nfs/dbraw/zinc/74/00/91/367740091.db2.gz RTPLSBSASDPMJS-LLVKDONJSA-N 2 0 223.320 0.091 20 0 BCADRP C[C@@]1(C(=O)NCC[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000581777072 367826218 /nfs/dbraw/zinc/82/62/18/367826218.db2.gz VHHIQSJFINXBCL-AAEUAGOBSA-N 2 0 239.363 0.634 20 0 BCADRP CN(C(=O)CCn1ccnc1)C1(C[NH3+])CCC1 ZINC000385404900 367826554 /nfs/dbraw/zinc/82/65/54/367826554.db2.gz XHAVMNQETMLYJK-UHFFFAOYSA-N 2 0 236.319 0.613 20 0 BCADRP C[C@@]1(CNC[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000581824323 367832529 /nfs/dbraw/zinc/83/25/29/367832529.db2.gz FZTCDCOJBNNTEV-VXGBXAGGSA-N 2 0 211.353 0.575 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCN2CC[NH2+]CC2)[C@H]1C ZINC000386089893 367910878 /nfs/dbraw/zinc/91/08/78/367910878.db2.gz FQTMPJFHYRHDMY-GRYCIOLGSA-N 2 0 211.353 0.526 20 0 BCADRP C[C@@H]([NH2+]CCCCO)[C@@H]1CCCC[NH2+]1 ZINC000386103677 367913069 /nfs/dbraw/zinc/91/30/69/367913069.db2.gz KGRLOYKJEMRAJO-MNOVXSKESA-N 2 0 200.326 0.879 20 0 BCADRP C[C@H](CO)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386147027 367920183 /nfs/dbraw/zinc/92/01/83/367920183.db2.gz RJZUTYJOTLWZQX-GARJFASQSA-N 2 0 200.326 0.735 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000566230011 326018919 /nfs/dbraw/zinc/01/89/19/326018919.db2.gz ZKKSDSITNACWSQ-NWDGAFQWSA-N 3 0 211.353 0.703 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000615619364 368124126 /nfs/dbraw/zinc/12/41/26/368124126.db2.gz NXWYOCMBPHIKNX-CYBMUJFWSA-N 2 0 239.363 0.492 20 0 BCADRP CCCN(C(=O)[C@@H]1CC[NH2+][C@H]1C)[C@H]1CC[NH2+]C1 ZINC000581992771 368071967 /nfs/dbraw/zinc/07/19/67/368071967.db2.gz WAQXEMDPZBVNDF-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+](C)CC1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000615505671 368080825 /nfs/dbraw/zinc/08/08/25/368080825.db2.gz SQXHXIQRKCYLRN-GFCCVEGCSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000446369821 201684777 /nfs/dbraw/zinc/68/47/77/201684777.db2.gz OQVMXYUGNLLGJF-GARJFASQSA-N 2 0 225.336 0.195 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CO)[C@@H]2CCCOC2)C1 ZINC000566688859 326074663 /nfs/dbraw/zinc/07/46/63/326074663.db2.gz JWMZGKCNGVNTQX-NDBYEHHHSA-N 2 0 242.363 0.633 20 0 BCADRP [NH3+]C1(C(=O)NCC[C@H]2CCC[NH2+]2)CCC1 ZINC000566914016 326093553 /nfs/dbraw/zinc/09/35/53/326093553.db2.gz TYQQIJDTPKQAEK-SECBINFHSA-N 2 0 211.309 0.126 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)NCCCn2ccnc2)C1 ZINC000058503743 368513264 /nfs/dbraw/zinc/51/32/64/368513264.db2.gz DEYGCPBMEVTTFZ-NSHDSACASA-N 2 0 236.319 0.341 20 0 BCADRP C[C@H]1C[C@H](NC(=O)CC2(C[NH3+])CC2)CC[NH2+]1 ZINC000566972581 326095991 /nfs/dbraw/zinc/09/59/91/326095991.db2.gz KWYLAKPGYYBKIY-VHSXEESVSA-N 2 0 225.336 0.372 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000081015485 368567378 /nfs/dbraw/zinc/56/73/78/368567378.db2.gz WJNBSZLJNHEZPT-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C(C[NH+]1CCCCCC1)NC1=[NH+]CCCN1 ZINC000066245411 368642705 /nfs/dbraw/zinc/64/27/05/368642705.db2.gz KQABDHMWTVOIAK-UHFFFAOYSA-N 2 0 224.352 0.801 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC(C)(C)C[NH+](C)C ZINC000457243850 203025822 /nfs/dbraw/zinc/02/58/22/203025822.db2.gz QFAYUCDZIDZHJW-MNOVXSKESA-N 2 0 241.379 0.641 20 0 BCADRP CC[NH+](CC)CCCN(C)[C@@H](C)C[NH3+] ZINC000074211263 368833695 /nfs/dbraw/zinc/83/36/95/368833695.db2.gz QBUVWLSPJYRUGM-NSHDSACASA-N 2 0 201.358 0.997 20 0 BCADRP C[C@@H](CNC(=O)C(C)(C)[NH3+])[NH+]1CCCC1 ZINC000083883704 368833778 /nfs/dbraw/zinc/83/37/78/368833778.db2.gz KIOWABPSVDDTOT-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)N(C)C)C1 ZINC000072860470 368782799 /nfs/dbraw/zinc/78/27/99/368782799.db2.gz MFUYQDVJVZBSAQ-GFCCVEGCSA-N 2 0 241.379 0.738 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC[N@H+](C)CC1 ZINC000086270762 368877992 /nfs/dbraw/zinc/87/79/92/368877992.db2.gz DWYSSELZBUHJKG-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP CC(C)C(=O)NCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086402284 368879959 /nfs/dbraw/zinc/87/99/59/368879959.db2.gz JGWFZNCBHXXDBG-WDEREUQCSA-N 2 0 227.352 0.618 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CCCOC1 ZINC000111163424 368851224 /nfs/dbraw/zinc/85/12/24/368851224.db2.gz SOOHBFZUVJQWPB-CYBMUJFWSA-N 2 0 241.379 0.250 20 0 BCADRP c1nc2n(n1)[C@@H](CN1CCC[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000631827567 368994505 /nfs/dbraw/zinc/99/45/05/368994505.db2.gz QNHRXLFXJDNNST-QJPTWQEYSA-N 2 0 247.346 0.449 20 0 BCADRP CN(CC1C[NH+](C)C1)C(=O)C1([NH+](C)C)CC1 ZINC000618189762 369083021 /nfs/dbraw/zinc/08/30/21/369083021.db2.gz VDLSETKKUNKWHY-UHFFFAOYSA-N 2 0 225.336 0.101 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000331844702 181457309 /nfs/dbraw/zinc/45/73/09/181457309.db2.gz LEHAPTHFMYYZRH-MNOVXSKESA-N 2 0 240.351 0.247 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NCC1([NH3+])CCC1 ZINC000332422362 181458483 /nfs/dbraw/zinc/45/84/83/181458483.db2.gz CXHBVWQQPALXCE-MNOVXSKESA-N 2 0 211.353 0.975 20 0 BCADRP COC[C@H](O)C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000567464504 326197588 /nfs/dbraw/zinc/19/75/88/326197588.db2.gz WBRWSDDJMHZKDY-NEPJUHHUSA-N 2 0 246.395 0.950 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000567654816 326239465 /nfs/dbraw/zinc/23/94/65/326239465.db2.gz IHOLXDQUTWSMOT-ROHXPCBUSA-N 2 0 209.337 0.454 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC(C)(C)[NH3+] ZINC000572586665 326251157 /nfs/dbraw/zinc/25/11/57/326251157.db2.gz CZRAKPKQQXXFSK-SNVBAGLBSA-N 2 0 242.367 0.459 20 0 BCADRP CC[C@@H]1CC[C@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000567724008 326251319 /nfs/dbraw/zinc/25/13/19/326251319.db2.gz PYAOEHVNVSPHAM-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404969934 369440837 /nfs/dbraw/zinc/44/08/37/369440837.db2.gz KMQCNHPCLUTCIU-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCCC2=O)CC[N@@H+]1C ZINC000405427170 369459860 /nfs/dbraw/zinc/45/98/60/369459860.db2.gz HWZJCMGKDWSAPI-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000567820105 326263198 /nfs/dbraw/zinc/26/31/98/326263198.db2.gz FWCFRZOSSFQZJS-HBNTYKKESA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]1C[C@H](N)C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000631860638 369470048 /nfs/dbraw/zinc/47/00/48/369470048.db2.gz METXSZUEZBNWDP-WOPDTQHZSA-N 2 0 211.353 0.798 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CCCC[NH3+] ZINC000567839340 326267742 /nfs/dbraw/zinc/26/77/42/326267742.db2.gz MMCDMVPOFXLCDE-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[C@@H]1CN(C(=O)CC2(C[NH3+])CC2)C[C@@]1(C)C[NH3+] ZINC000567846583 326269025 /nfs/dbraw/zinc/26/90/25/326269025.db2.gz IDSKSZYNORPQKJ-ZYHUDNBSSA-N 2 0 239.363 0.559 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000567846457 326269043 /nfs/dbraw/zinc/26/90/43/326269043.db2.gz CGHSZIONICYXPM-OUAUKWLOSA-N 2 0 227.352 0.413 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000165319634 203383058 /nfs/dbraw/zinc/38/30/58/203383058.db2.gz GIGLMGBJAUIDLG-VXGBXAGGSA-N 2 0 241.379 0.770 20 0 BCADRP C[N@H+](C[C@H](O)CN1C[C@@H]2C[C@H]1CS2)C1CC1 ZINC000459789783 203371458 /nfs/dbraw/zinc/37/14/58/203371458.db2.gz FYILTHBEPJLBJV-SRVKXCTJSA-N 2 0 242.388 0.631 20 0 BCADRP CN(CCC(=O)NC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000567893381 326277953 /nfs/dbraw/zinc/27/79/53/326277953.db2.gz LNVJVVJXVYSBNI-LBPRGKRZSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H](C[C@@H]1COCCN1)[NH2+][C@@H](C)CN(C)C ZINC000166145730 203388552 /nfs/dbraw/zinc/38/85/52/203388552.db2.gz YKQNCPOUCVIHFJ-SDDRHHMPSA-N 2 0 229.368 0.293 20 0 BCADRP C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000567911861 326282281 /nfs/dbraw/zinc/28/22/81/326282281.db2.gz ATTDRAKSAIFZTL-ZETCQYMHSA-N 2 0 205.261 0.576 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000567925610 326284080 /nfs/dbraw/zinc/28/40/80/326284080.db2.gz PDXAJSREPFPMBF-IVZWLZJFSA-N 2 0 245.392 0.324 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000567926251 326284588 /nfs/dbraw/zinc/28/45/88/326284588.db2.gz DRHOVVLZKQJHAN-RGOKHQFPSA-N 2 0 213.325 0.165 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC000619899224 369629600 /nfs/dbraw/zinc/62/96/00/369629600.db2.gz PMCLXLPFFWPJSH-GFCCVEGCSA-N 2 0 241.379 0.927 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000619900448 369631853 /nfs/dbraw/zinc/63/18/53/369631853.db2.gz VLNPZGXKIYKILX-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H](C)[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000620902402 370049649 /nfs/dbraw/zinc/04/96/49/370049649.db2.gz WEPMQHUFZFZYRY-GARJFASQSA-N 2 0 227.352 0.535 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000621153018 370125281 /nfs/dbraw/zinc/12/52/81/370125281.db2.gz JCMKNOFKDFBWIR-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@@H](C(=O)N1CC[NH2+][C@H](C(C)C)C1)[NH+](C)C ZINC000621155839 370128677 /nfs/dbraw/zinc/12/86/77/370128677.db2.gz MZSWCCZLCWUSTN-RYUDHWBXSA-N 2 0 241.379 0.783 20 0 BCADRP Cn1nccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252838333 370135274 /nfs/dbraw/zinc/13/52/74/370135274.db2.gz AGTMVVWLCPGSMR-DRZSPHRISA-N 2 0 234.347 0.979 20 0 BCADRP COCCOCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252843652 370135731 /nfs/dbraw/zinc/13/57/31/370135731.db2.gz DFDJBXITIMRTCS-AVGNSLFASA-N 2 0 242.363 0.709 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000309620232 370236144 /nfs/dbraw/zinc/23/61/44/370236144.db2.gz GUHLYLCLQLYSMG-SNVBAGLBSA-N 2 0 213.325 0.244 20 0 BCADRP COCCSCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309650897 370240212 /nfs/dbraw/zinc/24/02/12/370240212.db2.gz OBHSSZZIRAGXCK-RYUDHWBXSA-N 2 0 244.404 0.907 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000309738659 370251915 /nfs/dbraw/zinc/25/19/15/370251915.db2.gz CWVQCWDTVAHSJD-DTWKUNHWSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000309833359 370259315 /nfs/dbraw/zinc/25/93/15/370259315.db2.gz ZFPMKYQWZAJWRZ-QWRGUYRKSA-N 3 0 215.341 0.021 20 0 BCADRP C[C@]1(NC(=O)CC[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000621670951 370421573 /nfs/dbraw/zinc/42/15/73/370421573.db2.gz DFSQIGFLKIKSGK-YPMHNXCESA-N 2 0 239.363 0.634 20 0 BCADRP [NH3+][C@H](C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)C1CCC1 ZINC000621683100 370431329 /nfs/dbraw/zinc/43/13/29/370431329.db2.gz PYGYAVXQBXVTOO-GVXVVHGQSA-N 2 0 237.347 0.454 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[NH2+]C1)C2 ZINC000621683756 370432567 /nfs/dbraw/zinc/43/25/67/370432567.db2.gz AQKWRYJMSLHYJK-MDZLAQPJSA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)co1 ZINC000621683583 370432585 /nfs/dbraw/zinc/43/25/85/370432585.db2.gz YDGXVJVJLMFIPE-GXFFZTMASA-N 2 0 249.314 0.692 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@H]1C[C@]13CC[NH2+]C3)C2 ZINC000621683302 370432707 /nfs/dbraw/zinc/43/27/07/370432707.db2.gz SYSUBIWKAZQVJL-RFHZTLPTSA-N 2 0 249.358 0.326 20 0 BCADRP [NH3+]C1(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CCCC1 ZINC000621684328 370433825 /nfs/dbraw/zinc/43/38/25/370433825.db2.gz KSEWUXQBNJFMNK-MFKMUULPSA-N 2 0 237.347 0.598 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C[C@@H]1CCC[NH2+]1)C2 ZINC000621684247 370433915 /nfs/dbraw/zinc/43/39/15/370433915.db2.gz JREIPFHPZMYBJV-MDZLAQPJSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+]CCCC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684160 370433942 /nfs/dbraw/zinc/43/39/42/370433942.db2.gz IIOHPCRTMBFFKK-ONGXEEELSA-N 2 0 211.309 0.065 20 0 BCADRP CC(C)([NH3+])CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684477 370434584 /nfs/dbraw/zinc/43/45/84/370434584.db2.gz NAAURUKSNAJAKY-BXKDBHETSA-N 2 0 225.336 0.454 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684351 370434651 /nfs/dbraw/zinc/43/46/51/370434651.db2.gz KWWXTUBWLCNGCV-MRBYEJRBSA-N 2 0 239.363 0.700 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684724 370434744 /nfs/dbraw/zinc/43/47/44/370434744.db2.gz RKMLWHDJRIDUFF-ATZCPNFKSA-N 2 0 211.309 0.064 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621685134 370434777 /nfs/dbraw/zinc/43/47/77/370434777.db2.gz ZGMDETNWYCSDFQ-WCQYABFASA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)([NH3+])CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684480 370434928 /nfs/dbraw/zinc/43/49/28/370434928.db2.gz NAAURUKSNAJAKY-SKDRFNHKSA-N 2 0 225.336 0.454 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684390 370434970 /nfs/dbraw/zinc/43/49/70/370434970.db2.gz LSQZKWTTYFNFBS-JFGNBEQYSA-N 2 0 225.336 0.310 20 0 BCADRP CN(C(=O)CC[C@H]1CCC[NH2+]C1)C1CC([NH3+])C1 ZINC000621658740 370415389 /nfs/dbraw/zinc/41/53/89/370415389.db2.gz RACCBFNWRMQKGB-VOMCLLRMSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621658750 370415639 /nfs/dbraw/zinc/41/56/39/370415639.db2.gz RESUEQJGAHOOMH-GARJFASQSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@]1(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CCC[NH2+]1 ZINC000621699127 370446149 /nfs/dbraw/zinc/44/61/49/370446149.db2.gz MXQZNMZCSPIRMW-CYZMBNFOSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+]C1(CC(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621700445 370446247 /nfs/dbraw/zinc/44/62/47/370446247.db2.gz OWWARTZYOIGGSE-JOYOIKCWSA-N 2 0 223.320 0.208 20 0 BCADRP CCn1nccc1CC[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000621774320 370520431 /nfs/dbraw/zinc/52/04/31/370520431.db2.gz QRKVASFLBJTMJZ-GFCCVEGCSA-N 2 0 236.363 0.987 20 0 BCADRP C[C@H]1CN(CC[NH2+]CC2([NH3+])CCC2)CCO1 ZINC000568392641 326353653 /nfs/dbraw/zinc/35/36/53/326353653.db2.gz SCVXJWIWZKAZMA-NSHDSACASA-N 2 0 227.352 0.178 20 0 BCADRP CCn1nccc1CCN(C)[C@@H](C)C[NH3+] ZINC000621773823 370519163 /nfs/dbraw/zinc/51/91/63/370519163.db2.gz CODQAFYIANVCGB-JTQLQIEISA-N 2 0 210.325 0.725 20 0 BCADRP CCn1nccc1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000621775475 370522714 /nfs/dbraw/zinc/52/27/14/370522714.db2.gz PUFOXQBGLBEEET-TXEJJXNPSA-N 2 0 234.347 0.597 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@H]1CCOC1)C2 ZINC000621782506 370532513 /nfs/dbraw/zinc/53/25/13/370532513.db2.gz PVTNDFCIIWNMTK-UTUOFQBUSA-N 2 0 210.321 0.836 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000568627323 326368526 /nfs/dbraw/zinc/36/85/26/326368526.db2.gz XAZSMLBOSBUURC-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000568535171 326364254 /nfs/dbraw/zinc/36/42/54/326364254.db2.gz UBDTZVWGLRXCGA-VWYCJHECSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCN2CC[C@H](O)C2)CCO1 ZINC000623837471 371119198 /nfs/dbraw/zinc/11/91/98/371119198.db2.gz GLRLQOVJDAVGNG-WOPDTQHZSA-N 2 0 228.336 0.210 20 0 BCADRP O[C@H]1CCN(CC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000623835963 371119821 /nfs/dbraw/zinc/11/98/21/371119821.db2.gz FGIZNMKRZSEQHK-STQMWFEESA-N 2 0 224.348 0.999 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000569120086 326391769 /nfs/dbraw/zinc/39/17/69/326391769.db2.gz YLZZTKZZAAUJDO-ZRUFSTJUSA-N 2 0 225.336 0.323 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000364780863 181584630 /nfs/dbraw/zinc/58/46/30/181584630.db2.gz XLHSJESBZXWZCT-GMTAPVOTSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2COCCN2C)CC[N@@H+]1C ZINC000624174261 371365666 /nfs/dbraw/zinc/36/56/66/371365666.db2.gz UVCCXYHPXAQQDR-AGIUHOORSA-N 2 0 241.379 0.389 20 0 BCADRP CC(C)(C)OCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000162362369 371666035 /nfs/dbraw/zinc/66/60/35/371666035.db2.gz XGYWXDLMJGVXAN-QWRGUYRKSA-N 2 0 212.337 0.953 20 0 BCADRP CN(C(=O)[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000131655618 371642605 /nfs/dbraw/zinc/64/26/05/371642605.db2.gz QHPPGVFGILBAMR-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC000627650983 371809424 /nfs/dbraw/zinc/80/94/24/371809424.db2.gz ZJABJFPMCSKLPQ-KXNHARMFSA-N 2 0 237.347 0.099 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000163597972 372016986 /nfs/dbraw/zinc/01/69/86/372016986.db2.gz MBMQXMKFMLPORV-NXEZZACHSA-N 2 0 245.392 0.277 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C[NH+](C)C ZINC000171199287 372458937 /nfs/dbraw/zinc/45/89/37/372458937.db2.gz LOIVEFRBDAXZPQ-SNVBAGLBSA-N 2 0 215.341 0.395 20 0 BCADRP OC[C@H]1C[C@@H]([NH2+]C2CCN(C3CC3)CC2)C1 ZINC000631674943 372501693 /nfs/dbraw/zinc/50/16/93/372501693.db2.gz ZWLYRDGQTOKHBD-KLPPZKSPSA-N 2 0 224.348 0.974 20 0 BCADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[NH+](C)C ZINC000171396873 372568084 /nfs/dbraw/zinc/56/80/84/372568084.db2.gz MQJYPKPUFNPINE-NSHDSACASA-N 2 0 229.368 0.641 20 0 BCADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000631828749 372608727 /nfs/dbraw/zinc/60/87/27/372608727.db2.gz XIFPKEYTYRNZGT-SDDRHHMPSA-N 2 0 228.336 0.461 20 0 BCADRP C[NH2+]CCCN1CCOc2ccc(C[NH3+])cc21 ZINC000631830939 372614140 /nfs/dbraw/zinc/61/41/40/372614140.db2.gz KBLLDTCJENPLDE-UHFFFAOYSA-N 2 0 235.331 0.954 20 0 BCADRP C[C@H]([NH3+])CN1CCOc2ccc(C[NH3+])cc21 ZINC000631831223 372614451 /nfs/dbraw/zinc/61/44/51/372614451.db2.gz WMKJHUNXTRPBJU-VIFPVBQESA-N 2 0 221.304 0.691 20 0 BCADRP CCN1CC[C@H]([N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000631836777 372624935 /nfs/dbraw/zinc/62/49/35/372624935.db2.gz GQABFKPXGLKIEZ-MXWKQRLJSA-N 2 0 225.336 0.134 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000631837291 372627331 /nfs/dbraw/zinc/62/73/31/372627331.db2.gz AAIDUHQJIJKGKS-MWLCHTKSSA-N 2 0 208.309 0.447 20 0 BCADRP C[C@@H]1C[N@H+](CCCN2CCOCC2)C[C@H]1C[NH3+] ZINC000631838588 372633113 /nfs/dbraw/zinc/63/31/13/372633113.db2.gz QURIGKCMBZXPFM-CHWSQXEVSA-N 2 0 241.379 0.235 20 0 BCADRP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842214 372640123 /nfs/dbraw/zinc/64/01/23/372640123.db2.gz XANZPIANVOTJNS-GMTAPVOTSA-N 2 0 241.379 0.816 20 0 BCADRP CC[NH+](CC)CCCN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631849092 372647234 /nfs/dbraw/zinc/64/72/34/372647234.db2.gz WTHRFHKOLZXDCB-RYUDHWBXSA-N 2 0 211.353 0.764 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)CC[C@@H]1[NH3+] ZINC000631824781 372603982 /nfs/dbraw/zinc/60/39/82/372603982.db2.gz QBDXSEYSPHXPBL-UTUOFQBUSA-N 2 0 249.362 0.825 20 0 BCADRP CC[C@@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863154 372664869 /nfs/dbraw/zinc/66/48/69/372664869.db2.gz RVVQVVOIFJFDQV-SNVBAGLBSA-N 2 0 200.326 0.831 20 0 BCADRP OCC[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC000631863948 372666165 /nfs/dbraw/zinc/66/61/65/372666165.db2.gz GJBNNJPVJQCHER-UHFFFAOYSA-N 2 0 242.363 0.459 20 0 BCADRP C([NH2+][C@]12CCC[C@@H]1C[NH2+]C2)[C@H]1CCOC1 ZINC000631867293 372666906 /nfs/dbraw/zinc/66/69/06/372666906.db2.gz OZXYOJISZVMKHJ-UTUOFQBUSA-N 2 0 210.321 0.755 20 0 BCADRP COCCCCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000631864184 372667077 /nfs/dbraw/zinc/66/70/77/372667077.db2.gz IZVRDJALBVZSEQ-UHFFFAOYSA-N 2 0 244.379 0.849 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000521872858 259555985 /nfs/dbraw/zinc/55/59/85/259555985.db2.gz KJSOWJVFOCHWEZ-VIFPVBQESA-N 2 0 211.309 0.078 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368379795 182018221 /nfs/dbraw/zinc/01/82/21/182018221.db2.gz VIUAXJUIPVQYJU-WDEREUQCSA-N 2 0 237.347 0.387 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368370664 182017876 /nfs/dbraw/zinc/01/78/76/182017876.db2.gz QTIPFCWVUWHSJM-GRYCIOLGSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+]CC1 ZINC000364162367 182018157 /nfs/dbraw/zinc/01/81/57/182018157.db2.gz SCXMGNPLDYVWFG-MNOVXSKESA-N 2 0 225.336 0.387 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000042169442 182027686 /nfs/dbraw/zinc/02/76/86/182027686.db2.gz BXOHPQBETDFVMX-VXGBXAGGSA-N 2 0 237.347 0.435 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000632868782 373198234 /nfs/dbraw/zinc/19/82/34/373198234.db2.gz VPYIAQGKXPBWKU-MNOVXSKESA-N 2 0 247.342 0.745 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)CC[N@@H+]1C ZINC000633068036 373283844 /nfs/dbraw/zinc/28/38/44/373283844.db2.gz ZFABIJDHXUQNGW-SDDRHHMPSA-N 2 0 241.379 0.783 20 0 BCADRP O=C(NC1CC[NH2+]CC1)[C@H]1CCCCC[NH2+]1 ZINC000373531493 182115584 /nfs/dbraw/zinc/11/55/84/182115584.db2.gz UFRJBBMHDNMHAY-LLVKDONJSA-N 2 0 225.336 0.387 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)[C@H]1CCCCC[NH2+]1 ZINC000364463334 182136034 /nfs/dbraw/zinc/13/60/34/182136034.db2.gz SGIVZZQNAJNTRR-GFCCVEGCSA-N 2 0 237.347 0.555 20 0 BCADRP O=C(NCC1C[NH2+]C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000336473273 182148011 /nfs/dbraw/zinc/14/80/11/182148011.db2.gz YPQQGBDNVYVCDX-WCQYABFASA-N 2 0 237.347 0.102 20 0 BCADRP O=C(NCCC[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000036984166 182166770 /nfs/dbraw/zinc/16/67/70/182166770.db2.gz GSLLGZWHEQDPBP-NSHDSACASA-N 2 0 225.336 0.341 20 0 BCADRP O=C(NCCC[NH+]1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000037467342 182167733 /nfs/dbraw/zinc/16/77/33/182167733.db2.gz ZHNAFDHNQQYFCJ-GFCCVEGCSA-N 2 0 239.363 0.731 20 0 BCADRP O=C(NCC[NH2+]C1CC1)[C@@H]1CCCCC[NH2+]1 ZINC000364469652 182188654 /nfs/dbraw/zinc/18/86/54/182188654.db2.gz VFRCBKGUDUKFLY-NSHDSACASA-N 2 0 225.336 0.387 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634270085 374083083 /nfs/dbraw/zinc/08/30/83/374083083.db2.gz LRPRXUBLZXBQGK-LPEHRKFASA-N 2 0 228.340 0.163 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634269728 374083221 /nfs/dbraw/zinc/08/32/21/374083221.db2.gz IDQIXFQBRSFZRO-MNOVXSKESA-N 2 0 242.367 0.426 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000634301117 374128873 /nfs/dbraw/zinc/12/88/73/374128873.db2.gz XAYHULNCWHJQRU-IJLUTSLNSA-N 2 0 241.379 0.768 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634300972 374129580 /nfs/dbraw/zinc/12/95/80/374129580.db2.gz SKAZMQHWCGXAQN-NWDGAFQWSA-N 2 0 241.379 0.641 20 0 BCADRP CC(C)[C@H]1CN(C(=O)CC[NH3+])CC[N@@H+]1C ZINC000634301106 374129597 /nfs/dbraw/zinc/12/95/97/374129597.db2.gz WTMHCLFSCBQPBN-SNVBAGLBSA-N 2 0 213.325 0.134 20 0 BCADRP CC(C)[C@H]1CN(C(=O)CCC[NH3+])CC[N@@H+]1C ZINC000634300917 374129727 /nfs/dbraw/zinc/12/97/27/374129727.db2.gz PLJMEWJQUITFKY-LLVKDONJSA-N 2 0 227.352 0.524 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)N1CCC[NH2+]CC1 ZINC000634270524 374084494 /nfs/dbraw/zinc/08/44/94/374084494.db2.gz NRIBMSNICOZRHR-NSHDSACASA-N 2 0 240.351 0.133 20 0 BCADRP C[C@@H]1CN(C(=O)NC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000634270304 374084845 /nfs/dbraw/zinc/08/48/45/374084845.db2.gz MQACQJSQEXICSV-GHMZBOCLSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634271807 374086516 /nfs/dbraw/zinc/08/65/16/374086516.db2.gz WEKOXKOKCZGXNU-AXFHLTTASA-N 2 0 240.351 0.260 20 0 BCADRP CN(C[C@H]1CCC[N@H+](C)C1)[C@H]1CCN(C)C1=O ZINC000246678641 374285493 /nfs/dbraw/zinc/28/54/93/374285493.db2.gz BAKYKKIQASNTMB-RYUDHWBXSA-N 2 0 239.363 0.491 20 0 BCADRP CC(C)(C)[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C(N)=O ZINC000420304836 206024192 /nfs/dbraw/zinc/02/41/92/206024192.db2.gz OSUBFMOPOHNRBF-GHMZBOCLSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424192562 206035832 /nfs/dbraw/zinc/03/58/32/206035832.db2.gz PGESBGMMBKOHGP-JLLWLGSASA-N 2 0 239.363 0.522 20 0 BCADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000424082191 206029332 /nfs/dbraw/zinc/02/93/32/206029332.db2.gz WECWJDLDRUYNQD-XROYCOCOSA-N 2 0 219.288 0.992 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424381698 206040115 /nfs/dbraw/zinc/04/01/15/206040115.db2.gz ZJWMAHZVEYAGRV-QJPTWQEYSA-N 3 0 229.368 0.600 20 0 BCADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCCC[NH2+]1 ZINC000368385051 182289746 /nfs/dbraw/zinc/28/97/46/182289746.db2.gz LIDYGTUEWSUEHH-GHMZBOCLSA-N 2 0 237.347 0.387 20 0 BCADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCCC[NH2+]1 ZINC000368385054 182290166 /nfs/dbraw/zinc/29/01/66/182290166.db2.gz LIDYGTUEWSUEHH-WDEREUQCSA-N 2 0 237.347 0.387 20 0 BCADRP COCCOCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000155884763 206071672 /nfs/dbraw/zinc/07/16/72/206071672.db2.gz YXTCKQAQXUHLQB-RYUDHWBXSA-N 2 0 230.352 0.722 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000044726675 182302963 /nfs/dbraw/zinc/30/29/63/182302963.db2.gz MNRZXWQSIHQOMO-KOLCDFICSA-N 2 0 223.320 0.091 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000250527338 182303902 /nfs/dbraw/zinc/30/39/02/182303902.db2.gz QHKNBDVDOOMGAJ-WOPDTQHZSA-N 2 0 237.347 0.481 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446268496 206090550 /nfs/dbraw/zinc/09/05/50/206090550.db2.gz DDYUHUDQSNAEBN-WDEREUQCSA-N 2 0 245.342 0.535 20 0 BCADRP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@H]1CCCC[NH2+]1 ZINC000368385052 182326474 /nfs/dbraw/zinc/32/64/74/182326474.db2.gz LIDYGTUEWSUEHH-MNOVXSKESA-N 2 0 237.347 0.387 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000449598940 206099247 /nfs/dbraw/zinc/09/92/47/206099247.db2.gz DVGOYZIOTNLMRE-JBLDHEPKSA-N 2 0 235.331 0.928 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000449599270 206099446 /nfs/dbraw/zinc/09/94/46/206099446.db2.gz FZYSYWOJDATGCA-QXEWZRGKSA-N 2 0 213.325 0.371 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C1(C[NH3+])CCCC1 ZINC000449601134 206099651 /nfs/dbraw/zinc/09/96/51/206099651.db2.gz QNBRAFRIEBPKEF-VIFPVBQESA-N 2 0 213.325 0.359 20 0 BCADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000044726740 182334104 /nfs/dbraw/zinc/33/41/04/182334104.db2.gz VGGFKDOFYXBXAQ-CMPLNLGQSA-N 2 0 237.347 0.481 20 0 BCADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000044726736 182334920 /nfs/dbraw/zinc/33/49/20/182334920.db2.gz LAFKLUBSYFAUAH-MNOVXSKESA-N 2 0 237.347 0.339 20 0 BCADRP CC[N@H+](CCNC(=O)C[C@@H]1CCC[NH2+]1)C(C)C ZINC000167203264 206145962 /nfs/dbraw/zinc/14/59/62/206145962.db2.gz LOYCXKUTAMPEHW-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP CC[NH2+][C@@H](C)CNC(=O)[C@H](C[NH3+])C(C)C ZINC000336756075 170139757 /nfs/dbraw/zinc/13/97/57/170139757.db2.gz YHAZRZYYASSKMT-VHSXEESVSA-N 2 0 215.341 0.332 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747688 134310992 /nfs/dbraw/zinc/31/09/92/134310992.db2.gz ZVWQOISAAQRFTK-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP OCCOCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300418582 183082470 /nfs/dbraw/zinc/08/24/70/183082470.db2.gz WYEFZKMYSGHMFL-OLZOCXBDSA-N 2 0 242.363 0.602 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C[C@@H](C)[NH3+] ZINC000309127455 169002478 /nfs/dbraw/zinc/00/24/78/169002478.db2.gz QHTWBFPKTCECTO-RKDXNWHRSA-N 2 0 201.314 0.357 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000309408467 169005586 /nfs/dbraw/zinc/00/55/86/169005586.db2.gz IFDVUPHNUFNRPP-UTLUCORTSA-N 2 0 213.325 0.452 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000353380742 169005664 /nfs/dbraw/zinc/00/56/64/169005664.db2.gz DCNGXJPKFFOFRZ-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000309408466 169005989 /nfs/dbraw/zinc/00/59/89/169005989.db2.gz IFDVUPHNUFNRPP-GUBZILKMSA-N 2 0 213.325 0.452 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000037480631 169007443 /nfs/dbraw/zinc/00/74/43/169007443.db2.gz RZUYVVPCCZJEFJ-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP CCCN(C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000333672047 169043582 /nfs/dbraw/zinc/04/35/82/169043582.db2.gz NFOYJTFGDBGISH-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP CCCN(C(=O)[C@H](C)[C@@H](C)[NH3+])[C@H]1CC[NH2+]C1 ZINC000191987527 169045563 /nfs/dbraw/zinc/04/55/63/169045563.db2.gz KJNYHLHWIDXDQC-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000353383230 169069037 /nfs/dbraw/zinc/06/90/37/169069037.db2.gz IVVGOGWKCZXQPM-NWDGAFQWSA-N 2 0 239.363 0.396 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000355601601 169074066 /nfs/dbraw/zinc/07/40/66/169074066.db2.gz ZRWNNUZSTJLNOY-NSHDSACASA-N 2 0 229.368 0.785 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H](C)CC[NH3+] ZINC000336684556 169075342 /nfs/dbraw/zinc/07/53/42/169075342.db2.gz SUDHFCSLBZKAEY-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000358600298 169064971 /nfs/dbraw/zinc/06/49/71/169064971.db2.gz OGBCJEKVBPKBAM-UHFFFAOYSA-N 2 0 241.379 0.881 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)C1CC1 ZINC000354075445 169065972 /nfs/dbraw/zinc/06/59/72/169065972.db2.gz MCCJABFBNBHDOF-UHFFFAOYSA-N 2 0 241.379 0.881 20 0 BCADRP O[C@H](C[NH2+]C[C@H]1CCCOC1)C[NH+]1CCCC1 ZINC000038045488 183223681 /nfs/dbraw/zinc/22/36/81/183223681.db2.gz OOSJQZDRYSLQPW-CHWSQXEVSA-N 2 0 242.363 0.459 20 0 BCADRP O[C@]1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCOC1 ZINC000300415289 183251897 /nfs/dbraw/zinc/25/18/97/183251897.db2.gz VCUGZOOXABFCSJ-AVGNSLFASA-N 2 0 240.347 0.354 20 0 BCADRP CCC[NH+](CCC)CCCC(=O)NCC[NH3+] ZINC000236989996 169146905 /nfs/dbraw/zinc/14/69/05/169146905.db2.gz AQIRQWDNAVPVST-UHFFFAOYSA-N 2 0 229.368 0.964 20 0 BCADRP CCC[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000037482567 169158908 /nfs/dbraw/zinc/15/89/08/169158908.db2.gz NDEAUBGWPFDJII-UHFFFAOYSA-N 2 0 211.353 0.766 20 0 BCADRP CCC[NH+]1CCC(CNC(=O)C(C)(C)[NH3+])CC1 ZINC000236758619 169187295 /nfs/dbraw/zinc/18/72/95/169187295.db2.gz QDRRCBJPPCDOBH-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP CCC[NH+]1CCC(N(C)C(=O)CC[NH3+])CC1 ZINC000038100745 169187497 /nfs/dbraw/zinc/18/74/97/169187497.db2.gz PICUZNAHNGWQBE-UHFFFAOYSA-N 2 0 227.352 0.668 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@H](C)C[NH2+]C)CC1 ZINC000092135782 169187869 /nfs/dbraw/zinc/18/78/69/169187869.db2.gz SBWHVPHVZHYZIU-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000040829658 169188474 /nfs/dbraw/zinc/18/84/74/169188474.db2.gz CESKJUDBPPCNLF-GFCCVEGCSA-N 2 0 239.363 0.729 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@H](C)C[NH3+])CC1 ZINC000044806447 169188711 /nfs/dbraw/zinc/18/87/11/169188711.db2.gz LICIRSUFKSZBQF-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082654313 169194542 /nfs/dbraw/zinc/19/45/42/169194542.db2.gz MASLLOMBTVDVOW-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP CCCNC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341185108 169221381 /nfs/dbraw/zinc/22/13/81/169221381.db2.gz JARLCVAPAALSAJ-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074298 169246488 /nfs/dbraw/zinc/24/64/88/169246488.db2.gz KJOIJGQWUCKJRC-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP CCCS(=O)(=O)CCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000228658594 169329504 /nfs/dbraw/zinc/32/95/04/169329504.db2.gz GMLDPEWGLZKLPQ-QWRGUYRKSA-N 2 0 248.392 0.480 20 0 BCADRP CCCS(=O)(=O)CCN1CC[C@@H](C[NH3+])C1 ZINC000226419728 169330000 /nfs/dbraw/zinc/33/00/00/169330000.db2.gz BFYDNJWNZMFWFO-JTQLQIEISA-N 2 0 234.365 0.092 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000336320886 169387854 /nfs/dbraw/zinc/38/78/54/169387854.db2.gz YWUPVKRHRNKBGU-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP CC[C@H](C)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221160603 134317324 /nfs/dbraw/zinc/31/73/24/134317324.db2.gz RUDVGMSMCUJOQG-NWDGAFQWSA-N 2 0 241.379 0.819 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373044964 169545156 /nfs/dbraw/zinc/54/51/56/169545156.db2.gz WKMULWYUMIRXKP-WZRBSPASSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@@H](C[NH2+]C)C2)CCC[NH2+]1 ZINC000184074804 134357720 /nfs/dbraw/zinc/35/77/20/134357720.db2.gz FVORQNDAJWODED-WCQYABFASA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000185403417 134379345 /nfs/dbraw/zinc/37/93/45/134379345.db2.gz GTXGRFZNJJHLGE-YWVKMMECSA-N 2 0 229.299 0.074 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC([NH3+])CC1 ZINC000566195134 383837859 /nfs/dbraw/zinc/83/78/59/383837859.db2.gz AOHQACGPSAWEAK-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP COC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724095 383840892 /nfs/dbraw/zinc/84/08/92/383840892.db2.gz MCIHDRVYIHVLPG-VHSXEESVSA-N 2 0 214.309 0.609 20 0 BCADRP CC(C)(O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069724389 383841366 /nfs/dbraw/zinc/84/13/66/383841366.db2.gz PQFYKOVYPUPHIQ-JTQLQIEISA-N 2 0 200.326 0.818 20 0 BCADRP C[N@H+](CCOCC[NH3+])CCc1cccnc1 ZINC000301051342 383881635 /nfs/dbraw/zinc/88/16/35/383881635.db2.gz UGVSQOCWTJVWFU-UHFFFAOYSA-N 2 0 223.320 0.531 20 0 BCADRP C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)C[NH+](C)C ZINC000358521454 383842033 /nfs/dbraw/zinc/84/20/33/383842033.db2.gz JALFPGAKZGMMMS-NXEZZACHSA-N 2 0 230.356 0.186 20 0 BCADRP COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724098 383842505 /nfs/dbraw/zinc/84/25/05/383842505.db2.gz MCIHDRVYIHVLPG-NXEZZACHSA-N 2 0 214.309 0.609 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000358521457 383843398 /nfs/dbraw/zinc/84/33/98/383843398.db2.gz JALFPGAKZGMMMS-UWVGGRQHSA-N 2 0 230.356 0.186 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000087471777 383843888 /nfs/dbraw/zinc/84/38/88/383843888.db2.gz HUZLWGJVKLKQEE-GHMZBOCLSA-N 2 0 227.352 0.429 20 0 BCADRP CC(C)[N@@H+](C)CCNC(=O)CC[C@H](C)[NH3+] ZINC000069840202 383849241 /nfs/dbraw/zinc/84/92/41/383849241.db2.gz UDJSVDLEWAAHRP-JTQLQIEISA-N 2 0 215.341 0.570 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)CC[C@H]1[NH3+] ZINC000648124826 383851118 /nfs/dbraw/zinc/85/11/18/383851118.db2.gz CXLAJNZRLBVHID-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP O=C(C1CC[NH2+]CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000037812576 383863279 /nfs/dbraw/zinc/86/32/79/383863279.db2.gz GQIMEQAUJLHCFL-LBPRGKRZSA-N 2 0 237.347 0.293 20 0 BCADRP [NH3+]CC1(Cc2nc([C@@H]3CCC[NH2+]3)no2)CC1 ZINC000647144155 383831832 /nfs/dbraw/zinc/83/18/32/383831832.db2.gz OVIKHNRYFLAMED-QMMMGPOBSA-N 2 0 222.292 0.776 20 0 BCADRP COC(=O)CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000069627113 383833094 /nfs/dbraw/zinc/83/30/94/383833094.db2.gz XRQCKMKAKUPBFM-RKDXNWHRSA-N 2 0 200.282 0.219 20 0 BCADRP COC(=O)[C@H](C)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000069626995 383834784 /nfs/dbraw/zinc/83/47/84/383834784.db2.gz VGUNYJDQKMCDLX-GUBZILKMSA-N 2 0 214.309 0.607 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000569360865 383894771 /nfs/dbraw/zinc/89/47/71/383894771.db2.gz XRZCEWBLWGNIED-JTQLQIEISA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@](C)(C[NH3+])c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000569361476 383896191 /nfs/dbraw/zinc/89/61/91/383896191.db2.gz BRWWWUSJBMJUFM-LDYMZIIASA-N 2 0 226.324 0.846 20 0 BCADRP CC[C@H]1CN(C(=O)c2c[nH+]ccc2N)CC[C@@H]1[NH3+] ZINC000648126842 383992498 /nfs/dbraw/zinc/99/24/98/383992498.db2.gz WTQYCYWDLXMYAE-ONGXEEELSA-N 2 0 248.330 0.694 20 0 BCADRP CC[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000648126873 383994064 /nfs/dbraw/zinc/99/40/64/383994064.db2.gz XNKFJZFIBABXPU-UKKRHICBSA-N 2 0 225.336 0.310 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CCC[NH3+])C1 ZINC000237182410 383975425 /nfs/dbraw/zinc/97/54/25/383975425.db2.gz KVUZQEROKHXECH-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000237183409 383977502 /nfs/dbraw/zinc/97/75/02/383977502.db2.gz BAIDJJLIILDQKN-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000648130950 384091641 /nfs/dbraw/zinc/09/16/41/384091641.db2.gz NJIIBXGDUXNEED-LBPRGKRZSA-N 2 0 227.352 0.701 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000648130042 384086835 /nfs/dbraw/zinc/08/68/35/384086835.db2.gz DABXOGNCYQQFKP-KKOKHZNYSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)([NH3+])CN[C@@H](CC[NH3+])C(F)(F)F ZINC000564973866 384057660 /nfs/dbraw/zinc/05/76/60/384057660.db2.gz ZXDXBLDRWCFINI-LURJTMIESA-N 2 0 213.247 0.593 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C[NH+](C)C ZINC000566199259 384061189 /nfs/dbraw/zinc/06/11/89/384061189.db2.gz WBLPHPNGJZYFIC-UHFFFAOYSA-N 2 0 201.314 0.052 20 0 BCADRP C[C@]1(CNC(=O)[C@H]([NH3+])CC(F)F)CCC[NH2+]C1 ZINC000569456163 384063086 /nfs/dbraw/zinc/06/30/86/384063086.db2.gz VYNXCPNIJDFCFA-KCJUWKMLSA-N 2 0 249.305 0.475 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H](C)Cn1ccnc1 ZINC000069839342 384066235 /nfs/dbraw/zinc/06/62/35/384066235.db2.gz JMTVNTUTYACUBM-ZJUUUORDSA-N 2 0 224.308 0.515 20 0 BCADRP C[N@H+](CCNC(=O)C(C)(C)[NH3+])Cc1ccccc1 ZINC000077429279 384069432 /nfs/dbraw/zinc/06/94/32/384069432.db2.gz DNCWXXUNILZPCP-UHFFFAOYSA-N 2 0 249.358 0.972 20 0 BCADRP C[C@H]1C[C@H](NC(=O)CCCC[NH3+])C[N@@H+]1C1CC1 ZINC000572600401 384081963 /nfs/dbraw/zinc/08/19/63/384081963.db2.gz SLJCYOSURSOSDR-QWRGUYRKSA-N 2 0 239.363 0.857 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@H]1CCC ZINC000449380977 384095711 /nfs/dbraw/zinc/09/57/11/384095711.db2.gz PUBUBBMQMWSQSV-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000648132139 384111544 /nfs/dbraw/zinc/11/15/44/384111544.db2.gz OJISOYHUBBMVEG-GUBZILKMSA-N 2 0 243.326 0.143 20 0 BCADRP CCN(CC)C(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000302355546 384147551 /nfs/dbraw/zinc/14/75/51/384147551.db2.gz KMTHFQXLKPDDJC-LLVKDONJSA-N 2 0 245.367 0.150 20 0 BCADRP CC(C)CNC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000302349988 384149235 /nfs/dbraw/zinc/14/92/35/384149235.db2.gz JZNAGGFJCNNQTA-NSHDSACASA-N 2 0 245.367 0.054 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000648136538 384156016 /nfs/dbraw/zinc/15/60/16/384156016.db2.gz SHFPLTZDDXBIHS-LMLFDSFASA-N 2 0 225.336 0.241 20 0 BCADRP C[C@H](C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])C1C[NH2+]C1 ZINC000566201615 384138253 /nfs/dbraw/zinc/13/82/53/384138253.db2.gz ADGLUANNCSIPPO-UMNHJUIQSA-N 2 0 239.363 0.476 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000648136779 384157629 /nfs/dbraw/zinc/15/76/29/384157629.db2.gz NNVGTWDPOPPJED-GHMZBOCLSA-N 2 0 225.336 0.468 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)C[C@H]1CC[NH2+]C1 ZINC000648141622 384171490 /nfs/dbraw/zinc/17/14/90/384171490.db2.gz YMRQKKQCXMBWJQ-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000237400548 384171962 /nfs/dbraw/zinc/17/19/62/384171962.db2.gz XZJXJPHWHVAZMN-OUAUKWLOSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000648142305 384172676 /nfs/dbraw/zinc/17/26/76/384172676.db2.gz MZSQRLOJXSPCGP-WDEREUQCSA-N 2 0 225.336 0.183 20 0 BCADRP [NH3+]CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000648142304 384173182 /nfs/dbraw/zinc/17/31/82/384173182.db2.gz MZSQRLOJXSPCGP-QWRGUYRKSA-N 2 0 225.336 0.183 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000648136944 384158476 /nfs/dbraw/zinc/15/84/76/384158476.db2.gz OCVWRRACLMSJTA-RYUDHWBXSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000648136943 384158859 /nfs/dbraw/zinc/15/88/59/384158859.db2.gz OCVWRRACLMSJTA-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000178405226 384168057 /nfs/dbraw/zinc/16/80/57/384168057.db2.gz PZSOWNOOFPTANV-OLZOCXBDSA-N 2 0 247.342 0.364 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000648140837 384171299 /nfs/dbraw/zinc/17/12/99/384171299.db2.gz MYAUBPVHJUREBL-VPOLOUISSA-N 2 0 243.326 0.191 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000357319855 384201068 /nfs/dbraw/zinc/20/10/68/384201068.db2.gz XKQOCPIKHKSGGC-UXCLJVHYSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000237453310 384206005 /nfs/dbraw/zinc/20/60/05/384206005.db2.gz JTUWOJJYFBVXQM-NEPJUHHUSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)[C@H](C)[NH3+] ZINC000566214444 384230243 /nfs/dbraw/zinc/23/02/43/384230243.db2.gz RMTJZEFNUMVXEC-DTWKUNHWSA-N 2 0 221.304 0.611 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000566214673 384230345 /nfs/dbraw/zinc/23/03/45/384230345.db2.gz LFMMTJQZXLRFHF-GARJFASQSA-N 2 0 225.336 0.039 20 0 BCADRP CN(Cc1cccc(C(N)=O)c1)C1CC[NH2+]CC1 ZINC000036300734 384235400 /nfs/dbraw/zinc/23/54/00/384235400.db2.gz VLUKYHDCVHECMB-UHFFFAOYSA-N 2 0 247.342 0.969 20 0 BCADRP [NH3+][C@H](CC(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000163272944 384211518 /nfs/dbraw/zinc/21/15/18/384211518.db2.gz HMUKTTAFJGKXSQ-VXGBXAGGSA-N 2 0 233.315 0.555 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)co1 ZINC000336601206 384212250 /nfs/dbraw/zinc/21/22/50/384212250.db2.gz IRTHGIRLKRTNQT-UWVGGRQHSA-N 2 0 237.303 0.738 20 0 BCADRP COC(=O)CCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000069627119 134399711 /nfs/dbraw/zinc/39/97/11/134399711.db2.gz JVJAXLCSKYHJNR-WDEREUQCSA-N 2 0 228.336 0.999 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000644155468 384222311 /nfs/dbraw/zinc/22/23/11/384222311.db2.gz IMXLCRQGBPOCLT-BDAKNGLRSA-N 2 0 225.336 0.241 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000644155469 384222399 /nfs/dbraw/zinc/22/23/99/384222399.db2.gz IMXLCRQGBPOCLT-DTWKUNHWSA-N 2 0 225.336 0.241 20 0 BCADRP CC[C@H]1C[N@H+](CCOCC[NH3+])CCS1 ZINC000133085771 384226782 /nfs/dbraw/zinc/22/67/82/384226782.db2.gz CHHPPCFPGYWOHV-JTQLQIEISA-N 2 0 218.366 0.789 20 0 BCADRP C[C@@H](CC[NH+](C)C)NCc1cncn1C ZINC000082394791 384227241 /nfs/dbraw/zinc/22/72/41/384227241.db2.gz FSDZFRHHSRBCCR-JTQLQIEISA-N 2 0 210.325 0.850 20 0 BCADRP C[C@H](CC[NH+](C)C)NCc1cncn1C ZINC000082394793 384227408 /nfs/dbraw/zinc/22/74/08/384227408.db2.gz FSDZFRHHSRBCCR-SNVBAGLBSA-N 2 0 210.325 0.850 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC(C)(C)CC[NH3+] ZINC000644164950 384242771 /nfs/dbraw/zinc/24/27/71/384242771.db2.gz NERRMSLWFXBQFI-QMMMGPOBSA-N 2 0 201.314 0.086 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC000069626432 384247526 /nfs/dbraw/zinc/24/75/26/384247526.db2.gz WGXYBAVTDKSWDF-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000449181282 384255942 /nfs/dbraw/zinc/25/59/42/384255942.db2.gz GIPNGCGJVAZJTL-SDDRHHMPSA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000228472479 384257604 /nfs/dbraw/zinc/25/76/04/384257604.db2.gz BMIGAZJTNRHFAK-MVWJERBFSA-N 2 0 237.347 0.324 20 0 BCADRP Cn1cncc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228471727 384258505 /nfs/dbraw/zinc/25/85/05/384258505.db2.gz YTGAIPBPUWUIBE-CYZMBNFOSA-N 2 0 234.347 0.979 20 0 BCADRP CCSCC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313334441 384267014 /nfs/dbraw/zinc/26/70/14/384267014.db2.gz GMNGCCBONSAJFO-SNVBAGLBSA-N 2 0 218.366 0.789 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000187573340 384272665 /nfs/dbraw/zinc/27/26/65/384272665.db2.gz SABIUNKPAKBEAT-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000647506734 384306919 /nfs/dbraw/zinc/30/69/19/384306919.db2.gz BCJGYOMFTSRZCK-QJPTWQEYSA-N 2 0 227.352 0.034 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)CO1 ZINC000401937465 384313729 /nfs/dbraw/zinc/31/37/29/384313729.db2.gz CXPVYJBADZEOSL-GHMZBOCLSA-N 2 0 228.336 0.210 20 0 BCADRP C[C@H](C[NH2+][C@H]1CO[C@@H](C)C1)C[NH+](C)C ZINC000401936148 384313950 /nfs/dbraw/zinc/31/39/50/384313950.db2.gz MSJFKHRPOADUNF-OUAUKWLOSA-N 2 0 200.326 0.951 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000647507244 384314570 /nfs/dbraw/zinc/31/45/70/384314570.db2.gz MHKVOUOOVQLBRA-ZYHUDNBSSA-N 2 0 227.352 0.034 20 0 BCADRP C[C@H](C(=O)N1CCCCC1)N1CC[C@@H](C[NH3+])C1 ZINC000224227922 384317495 /nfs/dbraw/zinc/31/74/95/384317495.db2.gz MUVQWKHGZBZUAE-NEPJUHHUSA-N 2 0 239.363 0.668 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1C[C@H]1C ZINC000300023001 384278783 /nfs/dbraw/zinc/27/87/83/384278783.db2.gz CJMDHXLFHAMDKX-MXWKQRLJSA-N 2 0 200.326 0.986 20 0 BCADRP COC[C@H]([NH2+][C@@H]1CCCNC1)C(C)C ZINC000083397987 384294623 /nfs/dbraw/zinc/29/46/23/384294623.db2.gz CXKSPUVQIQEAPO-MNOVXSKESA-N 2 0 200.326 0.999 20 0 BCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224294448 384351436 /nfs/dbraw/zinc/35/14/36/384351436.db2.gz QLLQRKGMXHVZMR-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)c1coc(C[NH3+])c1 ZINC000188158043 384366049 /nfs/dbraw/zinc/36/60/49/384366049.db2.gz FCCZZCOBKBHGOU-UHFFFAOYSA-N 2 0 239.319 0.808 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000335600047 384370070 /nfs/dbraw/zinc/37/00/70/384370070.db2.gz FLBRPQSEKICQQT-RYUDHWBXSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCOCC2)CO1 ZINC000647171281 384391882 /nfs/dbraw/zinc/39/18/82/384391882.db2.gz DWKYCUGMXVQQLO-QWHCGFSZSA-N 2 0 242.363 0.866 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000248597464 384407269 /nfs/dbraw/zinc/40/72/69/384407269.db2.gz IJORVWYXHBXQSA-QJPTWQEYSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@H]1NCCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335644689 384418737 /nfs/dbraw/zinc/41/87/37/384418737.db2.gz XQBUICQYOXCWRF-HBIQZDMRSA-N 2 0 211.353 0.986 20 0 BCADRP Cn1cncc1CC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000405481090 384379282 /nfs/dbraw/zinc/37/92/82/384379282.db2.gz NBVUVACIIJHTDN-QWRGUYRKSA-N 2 0 222.336 0.678 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@H](C)[NH3+])C1 ZINC000248851281 384380698 /nfs/dbraw/zinc/38/06/98/384380698.db2.gz JIINUHQGBYVVOU-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648145776 384449627 /nfs/dbraw/zinc/44/96/27/384449627.db2.gz FSJZUPLTVASCPC-YUMQZZPRSA-N 2 0 235.278 0.085 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000335653298 384440634 /nfs/dbraw/zinc/44/06/34/384440634.db2.gz GVVIIOTZNARLPU-GFCCVEGCSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180673 384475021 /nfs/dbraw/zinc/47/50/21/384475021.db2.gz LYIDNCYCNHJVCN-SECBINFHSA-N 2 0 225.336 0.515 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000249066461 384476457 /nfs/dbraw/zinc/47/64/57/384476457.db2.gz PVVVFTPTJWVCBN-SRVKXCTJSA-N 2 0 241.379 0.770 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180709 384479427 /nfs/dbraw/zinc/47/94/27/384479427.db2.gz MLEXRXVGVKPPMS-QWRGUYRKSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCn1cccn1 ZINC000163727103 384498819 /nfs/dbraw/zinc/49/88/19/384498819.db2.gz OVYVEFKIJPVTPL-RYUDHWBXSA-N 2 0 222.336 0.990 20 0 BCADRP COC(=O)CCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150819029 384509592 /nfs/dbraw/zinc/50/95/92/384509592.db2.gz PZLCKWDUXYBABS-LBPRGKRZSA-N 2 0 240.347 0.967 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648181029 384490923 /nfs/dbraw/zinc/49/09/23/384490923.db2.gz XDGGJURKTSLITG-SNVBAGLBSA-N 2 0 239.363 0.762 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000647335163 384517847 /nfs/dbraw/zinc/51/78/47/384517847.db2.gz AYTFDHNTCOOMMT-RAIGVLPGSA-N 2 0 242.363 0.720 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCNC[C@@H]1c1ccncc1 ZINC000648177051 384518518 /nfs/dbraw/zinc/51/85/18/384518518.db2.gz ZHNCSWBPFNHRMB-ZYHUDNBSSA-N 2 0 248.330 0.292 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCNC[C@H]1c1ccncc1 ZINC000648177050 384520738 /nfs/dbraw/zinc/52/07/38/384520738.db2.gz ZHNCSWBPFNHRMB-PWSUYJOCSA-N 2 0 248.330 0.292 20 0 BCADRP CN(C[C@H]1CCS(=O)(=O)C1)CC(C)(C)C[NH3+] ZINC000569605613 384525362 /nfs/dbraw/zinc/52/53/62/384525362.db2.gz PPZMOVOKDVLSKZ-SNVBAGLBSA-N 2 0 248.392 0.338 20 0 BCADRP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648147366 384525580 /nfs/dbraw/zinc/52/55/80/384525580.db2.gz QCAPBEYJWVFPQE-NNYUYHANSA-N 2 0 237.347 0.100 20 0 BCADRP C[NH+](C)CCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000019505832 384526347 /nfs/dbraw/zinc/52/63/47/384526347.db2.gz QWIBQZRWSRTLFY-LBPRGKRZSA-N 2 0 235.331 0.754 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000569606572 384533120 /nfs/dbraw/zinc/53/31/20/384533120.db2.gz BOHZQKUEISMUKR-YIZRAAEISA-N 2 0 213.325 0.213 20 0 BCADRP COC(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397343501 384533834 /nfs/dbraw/zinc/53/38/34/384533834.db2.gz WVVZAQYKXPNVKZ-AEJSXWLSSA-N 2 0 214.309 0.465 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)C1CC[NH2+]CC1 ZINC000236661686 384552300 /nfs/dbraw/zinc/55/23/00/384552300.db2.gz HEBFHLIYVPOPCQ-UHFFFAOYSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000647180997 384554708 /nfs/dbraw/zinc/55/47/08/384554708.db2.gz DUKOTVRNZLMSEY-AGIUHOORSA-N 2 0 241.379 0.389 20 0 BCADRP CN(C[C@H](O)C[NH2+]CC1(CO)CCC1)C1CC1 ZINC000647523505 384555547 /nfs/dbraw/zinc/55/55/47/384555547.db2.gz RQHOOJHONNEOLM-GFCCVEGCSA-N 2 0 242.363 0.194 20 0 BCADRP C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000151272163 384556100 /nfs/dbraw/zinc/55/61/00/384556100.db2.gz WCKSNFUBSXSZKU-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CCCC[NH2+]1 ZINC000236604807 384537437 /nfs/dbraw/zinc/53/74/37/384537437.db2.gz IGIHOGLBEDLOEK-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N(C)C1CC[NH2+]CC1 ZINC000236647756 384539737 /nfs/dbraw/zinc/53/97/37/384539737.db2.gz PPYVAUPXZKMOTR-UHFFFAOYSA-N 2 0 227.352 0.537 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C1CC[NH+](C)CC1 ZINC000236741702 384569544 /nfs/dbraw/zinc/56/95/44/384569544.db2.gz PVYIOYSZEZRSDD-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH+](CC)CC(=O)NCC([NH3+])(CC)CC ZINC000236841823 384590272 /nfs/dbraw/zinc/59/02/72/384590272.db2.gz IQUBYVFGKMSFCC-UHFFFAOYSA-N 2 0 229.368 0.962 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000648177668 384573692 /nfs/dbraw/zinc/57/36/92/384573692.db2.gz MRGQDRUEKAQKES-SNVBAGLBSA-N 2 0 243.351 0.080 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)CCC[NH3+] ZINC000309779946 384602780 /nfs/dbraw/zinc/60/27/80/384602780.db2.gz MQUDIPFQKASNBV-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP CCN(C(=O)[C@@H]1C[C@@H]1[NH3+])[C@H]1CCC[NH2+]CC1 ZINC000517961308 384591872 /nfs/dbraw/zinc/59/18/72/384591872.db2.gz PEGROVQLOMDTIO-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@]1(CN2CCO[C@@H](CF)C2)CC[NH2+]C1 ZINC000334851307 384593061 /nfs/dbraw/zinc/59/30/61/384593061.db2.gz BQWBWXGVKMUQDV-WDEREUQCSA-N 2 0 216.300 0.656 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]([NH3+])CC(F)F)C1CC1 ZINC000336649349 384594395 /nfs/dbraw/zinc/59/43/95/384594395.db2.gz GVBPWFTWZZYKEI-QMMMGPOBSA-N 2 0 235.278 0.179 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000309768534 384594957 /nfs/dbraw/zinc/59/49/57/384594957.db2.gz OEKOZYXROULGEI-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](CC(=O)NCC1C[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000646901643 384669867 /nfs/dbraw/zinc/66/98/67/384669867.db2.gz IDCLXPOYQZHXJF-CMPLNLGQSA-N 2 0 239.363 0.348 20 0 BCADRP C(C1CC[NH2+]CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647534046 384646155 /nfs/dbraw/zinc/64/61/55/384646155.db2.gz FKTPYXXGBGFUMF-OLZOCXBDSA-N 2 0 223.364 0.670 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647534775 384646529 /nfs/dbraw/zinc/64/65/29/384646529.db2.gz VWAOXUKJEZUUMG-JHJVBQTASA-N 2 0 223.364 0.670 20 0 BCADRP [NH3+]CCOCCN1CCC([NH+]2CCCC2)CC1 ZINC000357076166 384675350 /nfs/dbraw/zinc/67/53/50/384675350.db2.gz IAVGGRJOOOELTO-UHFFFAOYSA-N 2 0 241.379 0.522 20 0 BCADRP COC(=O)CCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000082474933 384686270 /nfs/dbraw/zinc/68/62/70/384686270.db2.gz DAFVJLKLUCTLRT-SNVBAGLBSA-N 2 0 228.336 0.999 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](CCCS(C)(=O)=O)CC1 ZINC000082475116 384687035 /nfs/dbraw/zinc/68/70/35/384687035.db2.gz VRJXHWIHUKCGMU-JTQLQIEISA-N 2 0 248.392 0.480 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000449603443 384687800 /nfs/dbraw/zinc/68/78/00/384687800.db2.gz QUGQRAXEWMLJDR-VLEAKVRGSA-N 2 0 227.352 0.711 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1CCCCC[NH2+]1 ZINC000363684995 384691964 /nfs/dbraw/zinc/69/19/64/384691964.db2.gz CIVYEJPGYYSQOI-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP CO[C@]1(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CCOC1 ZINC000359427361 384726700 /nfs/dbraw/zinc/72/67/00/384726700.db2.gz PGRYPESBZFOEHF-UPJWGTAASA-N 2 0 242.363 0.722 20 0 BCADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050457656 384697366 /nfs/dbraw/zinc/69/73/66/384697366.db2.gz BCPYNRJLQYRYNX-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000449611048 384714860 /nfs/dbraw/zinc/71/48/60/384714860.db2.gz UAHJLHVIMNUKLO-ZJUUUORDSA-N 2 0 229.368 0.864 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH2+]C)C1 ZINC000236872230 384715548 /nfs/dbraw/zinc/71/55/48/384715548.db2.gz FXLWEVIRAGQZST-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP C[NH+](C)C[C@](C)(O)C[NH2+]CC(C)(C)C ZINC000125896926 384719496 /nfs/dbraw/zinc/71/94/96/384719496.db2.gz BCFBFZAOBTZVST-LLVKDONJSA-N 2 0 202.342 0.935 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC[NH2+]C1 ZINC000368565555 384774714 /nfs/dbraw/zinc/77/47/14/384774714.db2.gz AZWGXHORMDIGDZ-WZRBSPASSA-N 2 0 239.363 0.620 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368371990 384776050 /nfs/dbraw/zinc/77/60/50/384776050.db2.gz YPRFEQOEIKYLFC-WZRBSPASSA-N 2 0 239.363 0.714 20 0 BCADRP COC[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000234732653 384777922 /nfs/dbraw/zinc/77/79/22/384777922.db2.gz TZICYMQKDWIJCY-NSHDSACASA-N 2 0 216.325 0.320 20 0 BCADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546342 384729608 /nfs/dbraw/zinc/72/96/08/384729608.db2.gz GZULRMIEXIUMRM-YIYPIFLZSA-N 3 0 237.391 0.964 20 0 BCADRP C([NH2+]C[C@H]1CCCCN1)C1CC[NH2+]CC1 ZINC000647546439 384729822 /nfs/dbraw/zinc/72/98/22/384729822.db2.gz KHCDHFUHAHOZIH-GFCCVEGCSA-N 2 0 211.353 0.718 20 0 BCADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000647546419 384730033 /nfs/dbraw/zinc/73/00/33/384730033.db2.gz JLEPFRWRSXTKPY-RVMXOQNASA-N 3 0 223.364 0.716 20 0 BCADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546343 384730752 /nfs/dbraw/zinc/73/07/52/384730752.db2.gz GZULRMIEXIUMRM-ZOBORPQBSA-N 3 0 237.391 0.964 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000647546494 384731653 /nfs/dbraw/zinc/73/16/53/384731653.db2.gz MMEVEVGSJUUUQQ-SRVKXCTJSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](NC[C@@H]2CCC[NH2+]C2)C1 ZINC000647546577 384732451 /nfs/dbraw/zinc/73/24/51/384732451.db2.gz PYRSJFSICPXPJC-TUAOUCFPSA-N 2 0 211.353 0.574 20 0 BCADRP C[C@H](N[C@H]1C[NH2+]C[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000647546728 384732562 /nfs/dbraw/zinc/73/25/62/384732562.db2.gz YBECZBSTBQTWPA-WUHRBBMRSA-N 2 0 225.380 0.962 20 0 BCADRP CC(C)([NH3+])C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546689 384733710 /nfs/dbraw/zinc/73/37/10/384733710.db2.gz VWSUORALJTVHJC-HBNTYKKESA-N 3 0 211.353 0.701 20 0 BCADRP NCC(F)(F)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546933 384734144 /nfs/dbraw/zinc/73/41/44/384734144.db2.gz HSYGLADDCXFRBI-IVZWLZJFSA-N 2 0 233.306 0.558 20 0 BCADRP C1C[C@H]2CC(N[C@@H]3CCC[NH2+]C3)C[C@@H]1[NH2+]2 ZINC000647546595 384734166 /nfs/dbraw/zinc/73/41/66/384734166.db2.gz RCYAZDAXWJSGOH-FBTJUVTCSA-N 2 0 209.337 0.611 20 0 BCADRP C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000647546988 384736368 /nfs/dbraw/zinc/73/63/68/384736368.db2.gz JLOBRQRQYKPOTH-VXGBXAGGSA-N 2 0 211.353 0.718 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000647547186 384736590 /nfs/dbraw/zinc/73/65/90/384736590.db2.gz QEHKQZYMGZCYFP-SRVKXCTJSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@]1(CN[C@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000647547259 384736912 /nfs/dbraw/zinc/73/69/12/384736912.db2.gz TTZYRYSQRVKGMJ-RYUDHWBXSA-N 2 0 211.353 0.718 20 0 BCADRP C[C@@]1(CN[C@@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000647547261 384737236 /nfs/dbraw/zinc/73/72/36/384737236.db2.gz TTZYRYSQRVKGMJ-VXGBXAGGSA-N 2 0 211.353 0.718 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000647547204 384737986 /nfs/dbraw/zinc/73/79/86/384737986.db2.gz RBYMPNPUYFBKMD-FIQHERPVSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648185942 384739541 /nfs/dbraw/zinc/73/95/41/384739541.db2.gz JSABCERGMVVXBL-DCAQKATOSA-N 2 0 239.363 0.761 20 0 BCADRP COC[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])OC ZINC000300386515 384744021 /nfs/dbraw/zinc/74/40/21/384744021.db2.gz ZDLVHQVBAORZDT-WOPDTQHZSA-N 2 0 230.352 0.755 20 0 BCADRP CC(C)[C@@H](C(=O)N1CCC[N@H+](C)CC1)[C@H](C)[NH3+] ZINC000335495753 384746074 /nfs/dbraw/zinc/74/60/74/384746074.db2.gz LPASZWRVVVUOIF-NWDGAFQWSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647549960 384746172 /nfs/dbraw/zinc/74/61/72/384746172.db2.gz ZANOYZYWKBYWKF-YVECIDJPSA-N 2 0 249.362 0.644 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC[N@H+](C)CC1)[C@H](C)[NH3+] ZINC000335495754 384748440 /nfs/dbraw/zinc/74/84/40/384748440.db2.gz LPASZWRVVVUOIF-RYUDHWBXSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000648156237 384749243 /nfs/dbraw/zinc/74/92/43/384749243.db2.gz KRSBHHPZMUYQFU-UTUOFQBUSA-N 2 0 239.363 0.537 20 0 BCADRP C1[C@H]([NH2+][C@@H]2CCCNC2)C12CC[NH2+]CC2 ZINC000647547874 384749788 /nfs/dbraw/zinc/74/97/88/384749788.db2.gz JURPRBZPELXCIE-MNOVXSKESA-N 2 0 209.337 0.470 20 0 BCADRP C[C@H]1C[NH2+]C[C@H](NCCC[NH2+]C2CC2)C1 ZINC000647547922 384750857 /nfs/dbraw/zinc/75/08/57/384750857.db2.gz LIHQETLXYFTITM-ZYHUDNBSSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000647547834 384751359 /nfs/dbraw/zinc/75/13/59/384751359.db2.gz HBXXTVMZOUHAJD-SRVKXCTJSA-N 2 0 223.364 0.716 20 0 BCADRP C[C@H]1C[NH2+]C[C@@H](NCCC[NH2+]C2CC2)C1 ZINC000647547921 384751480 /nfs/dbraw/zinc/75/14/80/384751480.db2.gz LIHQETLXYFTITM-PWSUYJOCSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@]1(CNC[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]C1 ZINC000647548196 384751629 /nfs/dbraw/zinc/75/16/29/384751629.db2.gz YQJGCUYPSGGGCX-DCAQKATOSA-N 2 0 215.316 0.276 20 0 BCADRP [NH3+]C[C@H]1CN(C[C@H]2CCC[NH2+]C2)CCCO1 ZINC000647551861 384754774 /nfs/dbraw/zinc/75/47/74/384754774.db2.gz RXJIAKNXNZYHLK-RYUDHWBXSA-N 2 0 227.352 0.036 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cnc2cnccn12 ZINC000647552097 384756112 /nfs/dbraw/zinc/75/61/12/384756112.db2.gz FXZONGZDWISBEO-VHSXEESVSA-N 2 0 233.319 0.945 20 0 BCADRP C[C@H]1C[NH2+]C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000647552114 384756671 /nfs/dbraw/zinc/75/66/71/384756671.db2.gz GQTSKNQIJNBOEP-DDHJBXDOSA-N 2 0 211.353 0.844 20 0 BCADRP C(CN1CC[NH2+]CC1)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000423210457 384762449 /nfs/dbraw/zinc/76/24/49/384762449.db2.gz WROGRXGKKZBOTJ-OLZOCXBDSA-N 2 0 223.364 0.670 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000648187362 384763870 /nfs/dbraw/zinc/76/38/70/384763870.db2.gz OWBJEWQXUUCSLA-OUAUKWLOSA-N 2 0 237.347 0.515 20 0 BCADRP [NH3+][C@@H](C(=O)NCC1C[NH2+]C1)c1ccccc1 ZINC000646902650 384816756 /nfs/dbraw/zinc/81/67/56/384816756.db2.gz OWBSKTLVVPSDLB-LLVKDONJSA-N 2 0 219.288 0.022 20 0 BCADRP [NH3+][C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000646902790 384820043 /nfs/dbraw/zinc/82/00/43/384820043.db2.gz YOSRNBQNGWJJGR-QWRGUYRKSA-N 2 0 225.336 0.372 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000054132951 384823297 /nfs/dbraw/zinc/82/32/97/384823297.db2.gz ZCKUFTKYWKYARO-ZDUSSCGKSA-N 2 0 249.358 0.624 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000309737971 384785961 /nfs/dbraw/zinc/78/59/61/384785961.db2.gz GXHYFNFPQWRXDL-MXWKQRLJSA-N 2 0 227.352 0.713 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000038089247 384786942 /nfs/dbraw/zinc/78/69/42/384786942.db2.gz WPATXAAHLJOCHQ-DTWKUNHWSA-N 2 0 201.314 0.036 20 0 BCADRP CC1(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C[NH2+]C1 ZINC000335057581 384787928 /nfs/dbraw/zinc/78/79/28/384787928.db2.gz ITNHPRIXWLTERH-QWRGUYRKSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1([NH3+])CCCC1 ZINC000648187916 384800684 /nfs/dbraw/zinc/80/06/84/384800684.db2.gz CGMXHSBJTAXIOJ-RKDXNWHRSA-N 2 0 213.325 0.500 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)CC(C)(C)[NH3+] ZINC000648188068 384801157 /nfs/dbraw/zinc/80/11/57/384801157.db2.gz QFZXLKPTJSNFPZ-HTQZYQBOSA-N 2 0 201.314 0.356 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)CCCC[NH3+] ZINC000648190269 384803335 /nfs/dbraw/zinc/80/33/35/384803335.db2.gz MADHTJRPTAVKIO-BDAKNGLRSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648191165 384805857 /nfs/dbraw/zinc/80/58/57/384805857.db2.gz YIJSAHUOSVIUBU-LMLFDSFASA-N 2 0 227.352 0.569 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C2([NH3+])CCCC2)CC[NH2+]1 ZINC000336229359 384813304 /nfs/dbraw/zinc/81/33/04/384813304.db2.gz BXFYXWKSXWIMEO-NXEZZACHSA-N 2 0 225.336 0.515 20 0 BCADRP CCN(CCO)CC[NH2+]C[C@H]1C[C@H]1C ZINC000308626046 384876236 /nfs/dbraw/zinc/87/62/36/384876236.db2.gz WINFHVFBQNTGQD-GHMZBOCLSA-N 2 0 200.326 0.546 20 0 BCADRP CC(C)=CCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000557204690 384878927 /nfs/dbraw/zinc/87/89/27/384878927.db2.gz CUUFPDBITMAMSJ-LLVKDONJSA-N 2 0 240.351 0.237 20 0 BCADRP CCCC[C@H](C)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000305956486 384881066 /nfs/dbraw/zinc/88/10/66/384881066.db2.gz DRMSBEHBUBSLAQ-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648210080 384849940 /nfs/dbraw/zinc/84/99/40/384849940.db2.gz JKJMGLZWHYDKPA-MNOVXSKESA-N 2 0 239.363 0.905 20 0 BCADRP COCCCC[N@H+](C)CCOCC[NH3+] ZINC000301051034 384853838 /nfs/dbraw/zinc/85/38/38/384853838.db2.gz TWRGTMXMTSKNPK-UHFFFAOYSA-N 2 0 204.314 0.320 20 0 BCADRP C[N@H+](C[C@H](O)CN[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000644548011 384949723 /nfs/dbraw/zinc/94/97/23/384949723.db2.gz KIQWOZGGVRVEMF-DGCLKSJQSA-N 2 0 241.379 0.125 20 0 BCADRP CC[NH+](CC)CC(=O)NCC[N@H+](C)C(C)C ZINC000101953322 384899694 /nfs/dbraw/zinc/89/96/94/384899694.db2.gz FNCNKQABYNUATO-UHFFFAOYSA-N 2 0 229.368 0.785 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000187171216 384917100 /nfs/dbraw/zinc/91/71/00/384917100.db2.gz RQCDLAHTRBWOJY-SECBINFHSA-N 2 0 234.303 0.393 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000156645963 384917092 /nfs/dbraw/zinc/91/70/92/384917092.db2.gz ZFKIVRKPWGZNRA-NWDGAFQWSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000647603345 384921750 /nfs/dbraw/zinc/92/17/50/384921750.db2.gz RJVYJMIPTYSGHN-GMTAPVOTSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C1CC[NH+](C)CC1 ZINC000257711897 384924692 /nfs/dbraw/zinc/92/46/92/384924692.db2.gz QZVDVFHVLSOHDL-SECBINFHSA-N 2 0 213.325 0.039 20 0 BCADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]CCC(N)=O)C1 ZINC000644522029 384927204 /nfs/dbraw/zinc/92/72/04/384927204.db2.gz UBMWRCFJYHIUBW-GFCCVEGCSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000261586471 384932392 /nfs/dbraw/zinc/93/23/92/384932392.db2.gz RCGDVSRWXRKGOB-SCZZXKLOSA-N 2 0 241.360 0.814 20 0 BCADRP CSCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000119677371 384943814 /nfs/dbraw/zinc/94/38/14/384943814.db2.gz YMUKUZXKDLQHBG-UHFFFAOYSA-N 2 0 245.436 0.919 20 0 BCADRP [NH3+][C@@H]1CCN(CCC(=O)Nc2cccnc2)C1 ZINC000358320824 384966702 /nfs/dbraw/zinc/96/67/02/384966702.db2.gz MCZRWIMVUHCNMI-SNVBAGLBSA-N 2 0 234.303 0.443 20 0 BCADRP C[C@@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000644570867 384968642 /nfs/dbraw/zinc/96/86/42/384968642.db2.gz HDHBWGGKPWDLJI-VXGBXAGGSA-N 2 0 242.363 0.458 20 0 BCADRP CCOCC[C@H](O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000644562959 384968995 /nfs/dbraw/zinc/96/89/95/384968995.db2.gz IVULYHMEFHYINJ-NEPJUHHUSA-N 2 0 232.368 0.704 20 0 BCADRP C[C@H](C(=O)NCC[NH+]1CCCCC1)C1C[NH2+]C1 ZINC000164457286 384993036 /nfs/dbraw/zinc/99/30/36/384993036.db2.gz WMXZHSSFBKLGGO-NSHDSACASA-N 2 0 239.363 0.444 20 0 BCADRP C[NH+](C)CC[C@@H](NC(=O)CC[NH3+])C(C)(C)C ZINC000236982415 384997400 /nfs/dbraw/zinc/99/74/00/384997400.db2.gz HURMCYQXWHELAC-SNVBAGLBSA-N 2 0 229.368 0.818 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000370843966 385001097 /nfs/dbraw/zinc/00/10/97/385001097.db2.gz AOMAGGNSRHWXOY-JQWIXIFHSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000226399606 385007758 /nfs/dbraw/zinc/00/77/58/385007758.db2.gz XOAAQPXVQOIIHW-VHSXEESVSA-N 2 0 225.336 0.195 20 0 BCADRP CC[N@H+](CCNC(=O)[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000226397566 385009360 /nfs/dbraw/zinc/00/93/60/385009360.db2.gz OSYZMYDNTGPFOO-CYBMUJFWSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C1CC[NH2+]CC1 ZINC000226396379 385009457 /nfs/dbraw/zinc/00/94/57/385009457.db2.gz CFQIDHJPZBCMSV-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+]CC1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000518376523 385011296 /nfs/dbraw/zinc/01/12/96/385011296.db2.gz WBFNJFMWDIMIGH-ZDUSSCGKSA-N 2 0 242.363 0.853 20 0 BCADRP COC[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000304652267 385015736 /nfs/dbraw/zinc/01/57/36/385015736.db2.gz YMRPGZHHAISFQX-NEPJUHHUSA-N 2 0 227.352 0.001 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)C(F)(F)F ZINC000648148713 385019781 /nfs/dbraw/zinc/01/97/81/385019781.db2.gz YMLZDAZUTLRYAZ-XVMARJQXSA-N 2 0 239.241 0.120 20 0 BCADRP CC[C@H](O)C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000644625730 385020371 /nfs/dbraw/zinc/02/03/71/385020371.db2.gz NPUZOLGMJPBRSE-ZJUUUORDSA-N 2 0 209.293 0.558 20 0 BCADRP CC1(C)[C@H](NCCCS(C)(=O)=O)C[C@@H]1[NH3+] ZINC000404730396 385051170 /nfs/dbraw/zinc/05/11/70/385051170.db2.gz BPGNOCMDOWSMGD-DTWKUNHWSA-N 2 0 234.365 0.137 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC1CC[NH+](C)CC1 ZINC000037481392 385055309 /nfs/dbraw/zinc/05/53/09/385055309.db2.gz QTKCEGJKYWNAQV-GFCCVEGCSA-N 2 0 227.352 0.714 20 0 BCADRP Cn1cc(CC[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cn1 ZINC000404789188 385060731 /nfs/dbraw/zinc/06/07/31/385060731.db2.gz QQLKULBHRSIFSB-WDEREUQCSA-N 2 0 222.336 0.678 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000157067943 385065291 /nfs/dbraw/zinc/06/52/91/385065291.db2.gz RCAGYUSSYAYWBT-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000647640471 385065898 /nfs/dbraw/zinc/06/58/98/385065898.db2.gz LSXRBVUXAQYTKV-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H](O)C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000644665535 385069291 /nfs/dbraw/zinc/06/92/91/385069291.db2.gz FPKNZENCLIKIPZ-SNVBAGLBSA-N 2 0 200.326 0.831 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000646941366 385069398 /nfs/dbraw/zinc/06/93/98/385069398.db2.gz YMXAJBGGFIXGSS-NEPJUHHUSA-N 2 0 239.363 0.491 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000646931296 385075066 /nfs/dbraw/zinc/07/50/66/385075066.db2.gz ZXTORLXLPOOHKL-RYUDHWBXSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000332078769 385081501 /nfs/dbraw/zinc/08/15/01/385081501.db2.gz YDXBKDWFZTTWBT-KXUCPTDWSA-N 2 0 200.326 0.863 20 0 BCADRP C[C@H](CC(=O)NCC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000156981437 385029802 /nfs/dbraw/zinc/02/98/02/385029802.db2.gz NKBUXQDENUBBRI-VXGBXAGGSA-N 2 0 241.379 0.690 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000646979416 385109503 /nfs/dbraw/zinc/10/95/03/385109503.db2.gz LGIDPYRHSCRYJY-VWYCJHECSA-N 2 0 225.336 0.100 20 0 BCADRP CC[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647015053 385141412 /nfs/dbraw/zinc/14/14/12/385141412.db2.gz GIHQROAUJUGOMJ-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CCC[NH2+]CC2)CCC1 ZINC000646984869 385112137 /nfs/dbraw/zinc/11/21/37/385112137.db2.gz BGNCZJXLCWQFPI-VIFPVBQESA-N 2 0 211.309 0.126 20 0 BCADRP [NH3+]CC1(CC(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000646985228 385112261 /nfs/dbraw/zinc/11/22/61/385112261.db2.gz UCYRQPGRMQUIBQ-JTQLQIEISA-N 2 0 225.336 0.374 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCCC1CC[NH+](C)CC1 ZINC000157216830 385114309 /nfs/dbraw/zinc/11/43/09/385114309.db2.gz KEUUDIOARBLLSM-LBPRGKRZSA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)ccn1 ZINC000646988360 385117546 /nfs/dbraw/zinc/11/75/46/385117546.db2.gz NLAOASRPMWEGMG-LLVKDONJSA-N 2 0 248.330 0.412 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646988433 385120708 /nfs/dbraw/zinc/12/07/08/385120708.db2.gz PRGZMDKXNOQSJY-QWRGUYRKSA-N 2 0 227.352 0.633 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCOCC(F)F ZINC000404882366 385141934 /nfs/dbraw/zinc/14/19/34/385141934.db2.gz GQSAQRUUAHUNIP-YUMQZZPRSA-N 2 0 222.279 0.984 20 0 BCADRP C[C@@H]([NH3+])CN1CC[NH+](C2CCCC2)CC1 ZINC000052061183 385123494 /nfs/dbraw/zinc/12/34/94/385123494.db2.gz JEUYGQYDGRGZJD-LLVKDONJSA-N 2 0 211.353 0.894 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC000032021356 385123586 /nfs/dbraw/zinc/12/35/86/385123586.db2.gz HTXNEIUXRKKKCV-UHFFFAOYSA-N 2 0 219.288 0.191 20 0 BCADRP CC(C)[C@@H](C(=O)N1CCC(C)([NH3+])CC1)[C@@H](C)[NH3+] ZINC000646993372 385123760 /nfs/dbraw/zinc/12/37/60/385123760.db2.gz TWHUOYCVLZCMQQ-GHMZBOCLSA-N 2 0 241.379 0.946 20 0 BCADRP CC[N@H+](CCN)CCCc1cncn1C ZINC000314936703 385123794 /nfs/dbraw/zinc/12/37/94/385123794.db2.gz RQIHPLATCOLUQJ-UHFFFAOYSA-N 2 0 210.325 0.633 20 0 BCADRP CC1([NH3+])CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000646992016 385128162 /nfs/dbraw/zinc/12/81/62/385128162.db2.gz WQYLYFIHQDXTAM-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000646998062 385128280 /nfs/dbraw/zinc/12/82/80/385128280.db2.gz FSVYRNILOOPCIB-YFKTTZPYSA-N 2 0 239.363 0.761 20 0 BCADRP CSCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530880368 385128940 /nfs/dbraw/zinc/12/89/40/385128940.db2.gz UDODYDICZBVPPQ-UHFFFAOYSA-N 2 0 247.408 0.301 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000157266142 385129103 /nfs/dbraw/zinc/12/91/03/385129103.db2.gz OKLPOLJOSDOFNG-GRYCIOLGSA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000646998178 385131217 /nfs/dbraw/zinc/13/12/17/385131217.db2.gz TURFOHNDNJAJON-GMTAPVOTSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000246235993 385135048 /nfs/dbraw/zinc/13/50/48/385135048.db2.gz FVJIBGZWBFIWMQ-QCNOEVLYSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2[NH2+]CC2(C)C)CC[NH2+]1 ZINC000647018263 385142616 /nfs/dbraw/zinc/14/26/16/385142616.db2.gz XFWVFSASUSNMTF-KXUCPTDWSA-N 2 0 225.336 0.241 20 0 BCADRP C[NH2+]C[C@H]1CCCN1CCN1CCO[C@@H](C)C1 ZINC000566246097 385135454 /nfs/dbraw/zinc/13/54/54/385135454.db2.gz FAROVAAAKHUURM-QWHCGFSZSA-N 2 0 241.379 0.391 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000647000779 385135602 /nfs/dbraw/zinc/13/56/02/385135602.db2.gz SNCAZYVRSRLPTJ-WOPDTQHZSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)CC1([NH3+])CCC1 ZINC000647001658 385137036 /nfs/dbraw/zinc/13/70/36/385137036.db2.gz ICVIQESZIDKVNP-VHSXEESVSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](CN1CCOCC1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000566246434 385137488 /nfs/dbraw/zinc/13/74/88/385137488.db2.gz ZYTPYHDDSHWDSH-JHJVBQTASA-N 2 0 241.379 0.376 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000647015051 385139329 /nfs/dbraw/zinc/13/93/29/385139329.db2.gz GIHQROAUJUGOMJ-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H]1CN(C(=O)CC(C)(C)[NH3+])CC[C@@H]1[NH3+] ZINC000647015096 385140271 /nfs/dbraw/zinc/14/02/71/385140271.db2.gz HRXSEAQAJCQSJS-ZJUUUORDSA-N 2 0 227.352 0.700 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000449120365 385088654 /nfs/dbraw/zinc/08/86/54/385088654.db2.gz CPHZMETUCVYFLT-JQWIXIFHSA-N 2 0 229.368 0.864 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000646965992 385089698 /nfs/dbraw/zinc/08/96/98/385089698.db2.gz QZADYSRTUYDFGA-CMPLNLGQSA-N 2 0 227.352 0.620 20 0 BCADRP CC[C@@H]1CN(C(=O)CC2([NH3+])CCC2)CC[C@@H]1[NH3+] ZINC000647015494 385141243 /nfs/dbraw/zinc/14/12/43/385141243.db2.gz SOOXHBPQVLSNDT-MNOVXSKESA-N 2 0 239.363 0.844 20 0 BCADRP CC[C@@H]1CN(C(=O)CC[C@@H](C)[NH3+])CC[C@@H]1[NH3+] ZINC000647014957 385141276 /nfs/dbraw/zinc/14/12/76/385141276.db2.gz DHDKMPVDWTURGS-MXWKQRLJSA-N 2 0 227.352 0.700 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058097 385201466 /nfs/dbraw/zinc/20/14/66/385201466.db2.gz MOORLUDSMBFXSP-NAKRPEOUSA-N 2 0 243.326 0.191 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000647047081 385184398 /nfs/dbraw/zinc/18/43/98/385184398.db2.gz CCVDDALEEXFRHU-DCAQKATOSA-N 2 0 227.352 0.463 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647051032 385186684 /nfs/dbraw/zinc/18/66/84/385186684.db2.gz HZHYGOUZHBOBJL-ZMLRMANQSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)[NH+](CCCNC(=O)[C@H]1CC[NH2+]1)C(C)C ZINC000569336496 385188417 /nfs/dbraw/zinc/18/84/17/385188417.db2.gz ABHWYZWHAFAGMZ-GFCCVEGCSA-N 2 0 241.379 0.973 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)CC[NH2+]1 ZINC000647018262 385143993 /nfs/dbraw/zinc/14/39/93/385143993.db2.gz XFWVFSASUSNMTF-BBBLOLIVSA-N 2 0 225.336 0.241 20 0 BCADRP CC[C@H]1CN(C(=O)C(C)(C)C[NH3+])CC[C@H]1[NH3+] ZINC000647014796 385146006 /nfs/dbraw/zinc/14/60/06/385146006.db2.gz CGKBNNRKENCEMS-VHSXEESVSA-N 2 0 227.352 0.557 20 0 BCADRP CC[C@H]1CN(C(=O)C[NH+](CC)CC)CC[C@@H]1[NH3+] ZINC000647012653 385146185 /nfs/dbraw/zinc/14/61/85/385146185.db2.gz YARQDZLOTULLDC-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000647021040 385151411 /nfs/dbraw/zinc/15/14/11/385151411.db2.gz WZTNTIKPOWSFKH-MRVPVSSYSA-N 2 0 218.260 0.411 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000647021359 385151567 /nfs/dbraw/zinc/15/15/67/385151567.db2.gz LKRREZLJYLEGNY-JOYOIKCWSA-N 2 0 233.315 0.337 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH3+] ZINC000647022099 385152864 /nfs/dbraw/zinc/15/28/64/385152864.db2.gz XJQMNUHRLBBYRC-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000647023358 385157919 /nfs/dbraw/zinc/15/79/19/385157919.db2.gz YGMHKMMXGZHFNS-ZYHUDNBSSA-N 2 0 235.331 0.930 20 0 BCADRP CC(C)[NH+](CCCNC(=O)[C@@H](C)[NH3+])C(C)C ZINC000157386523 385158503 /nfs/dbraw/zinc/15/85/03/385158503.db2.gz BXANHOKSZGUUJN-LLVKDONJSA-N 2 0 229.368 0.959 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000422612266 385158943 /nfs/dbraw/zinc/15/89/43/385158943.db2.gz UNLQTXSSQWUZPX-UWVGGRQHSA-N 2 0 242.367 0.683 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000647026379 385160966 /nfs/dbraw/zinc/16/09/66/385160966.db2.gz GRLSKMQDXFIXIS-GHMZBOCLSA-N 2 0 239.363 0.572 20 0 BCADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC000336357286 385164121 /nfs/dbraw/zinc/16/41/21/385164121.db2.gz YLNDTNQTATUXGY-NSHDSACASA-N 2 0 239.363 0.491 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647055064 385200885 /nfs/dbraw/zinc/20/08/85/385200885.db2.gz JNPDVQTURAHGIE-MNOVXSKESA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@H](O)C[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000521029673 385168931 /nfs/dbraw/zinc/16/89/31/385168931.db2.gz LPEGNQNVAHXOHE-ZDUSSCGKSA-N 2 0 244.379 0.848 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000246487216 385171039 /nfs/dbraw/zinc/17/10/39/385171039.db2.gz XBJDOLQEDCXNHU-TUAOUCFPSA-N 2 0 237.347 0.420 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000647036202 385172202 /nfs/dbraw/zinc/17/22/02/385172202.db2.gz XRSLXOMPXBLXRV-XWLWVQCSSA-N 2 0 243.326 0.143 20 0 BCADRP CN(C)C(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404911677 385174558 /nfs/dbraw/zinc/17/45/58/385174558.db2.gz UVILAPUDEOGLOR-BDAKNGLRSA-N 2 0 213.325 0.180 20 0 BCADRP COC[C@@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000564860989 385180504 /nfs/dbraw/zinc/18/05/04/385180504.db2.gz ZUSHBPHDDOLOMP-LBPRGKRZSA-N 2 0 235.287 0.431 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@H](C)[NH3+] ZINC000647060817 385206137 /nfs/dbraw/zinc/20/61/37/385206137.db2.gz WHWAMFQAFBBBCE-KXNHARMFSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647060818 385207063 /nfs/dbraw/zinc/20/70/63/385207063.db2.gz WHWAMFQAFBBBCE-WHOHXGKFSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC000252712007 385212584 /nfs/dbraw/zinc/21/25/84/385212584.db2.gz LFXSVXRBGWYPFQ-GRYCIOLGSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000647068261 385213200 /nfs/dbraw/zinc/21/32/00/385213200.db2.gz AEVCVTQSBFHHNA-LPEHRKFASA-N 2 0 213.325 0.323 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647069005 385215281 /nfs/dbraw/zinc/21/52/81/385215281.db2.gz JXURGEXJGRAQQC-GRYCIOLGSA-N 2 0 239.363 0.476 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000647069152 385215643 /nfs/dbraw/zinc/21/56/43/385215643.db2.gz SROOQGARGCTVQH-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)F ZINC000647070247 385218701 /nfs/dbraw/zinc/21/87/01/385218701.db2.gz NCPBRZGDNJYOBE-RQJHMYQMSA-N 2 0 223.267 0.068 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000238152902 385224091 /nfs/dbraw/zinc/22/40/91/385224091.db2.gz XLRNGHMXHWWJSQ-GHMZBOCLSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H]1CC[N@H+](CCC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000164658171 385224309 /nfs/dbraw/zinc/22/43/09/385224309.db2.gz WQBHCZYUYOJEBX-QWRGUYRKSA-N 2 0 227.352 0.381 20 0 BCADRP C[NH+](C)CCCNC(=O)C(C)(C)C[NH3+] ZINC000044751160 385225481 /nfs/dbraw/zinc/22/54/81/385225481.db2.gz IXCMMCKWZQKOHH-UHFFFAOYSA-N 2 0 201.314 0.039 20 0 BCADRP C[C@@H](NC(=O)CCC1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000564958382 385234321 /nfs/dbraw/zinc/23/43/21/385234321.db2.gz KXIGZZFCBPIVBF-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000157641688 385238865 /nfs/dbraw/zinc/23/88/65/385238865.db2.gz DOHIBUUHHBWMCR-SRVKXCTJSA-N 2 0 241.379 0.816 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)[C@@H]2C1 ZINC000569124535 385240896 /nfs/dbraw/zinc/24/08/96/385240896.db2.gz SJMYKKQYBBYCML-WISYIIOYSA-N 2 0 237.347 0.276 20 0 BCADRP C[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC[NH2+]1 ZINC000259321755 385242304 /nfs/dbraw/zinc/24/23/04/385242304.db2.gz XEYWCNUWCVWWBF-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000647082831 385242465 /nfs/dbraw/zinc/24/24/65/385242465.db2.gz MQZDULBGWZCUKN-HBNTYKKESA-N 2 0 225.336 0.230 20 0 BCADRP C[N@@H+](Cc1ncc[nH]1)CC1CC[NH2+]CC1 ZINC000308877672 385242694 /nfs/dbraw/zinc/24/26/94/385242694.db2.gz BZTUCIMCEKSTSX-UHFFFAOYSA-N 2 0 208.309 0.841 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000647082753 385243242 /nfs/dbraw/zinc/24/32/42/385243242.db2.gz GJCVYTWPCWDFNT-UWVGGRQHSA-N 2 0 225.336 0.502 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000647082940 385243335 /nfs/dbraw/zinc/24/33/35/385243335.db2.gz VGEUBYPVEXGGCP-QWRGUYRKSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+][C@@H]1CCC[C@]12CCN(C(=O)C1([NH3+])CC1)C2 ZINC000364195098 385244784 /nfs/dbraw/zinc/24/47/84/385244784.db2.gz BIUUHCMMDWLDLI-MWLCHTKSSA-N 2 0 223.320 0.208 20 0 BCADRP [NH3+]C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000647084370 385246781 /nfs/dbraw/zinc/24/67/81/385246781.db2.gz SMWOWCFHVNPXNS-JQWIXIFHSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])[NH+](C)C ZINC000157688992 385249012 /nfs/dbraw/zinc/24/90/12/385249012.db2.gz BVHONIOSPQITJS-IJLUTSLNSA-N 2 0 241.379 0.816 20 0 BCADRP CN(C(=O)C[C@H]1CC[NH2+]C1)[C@H](C[NH3+])C1CC1 ZINC000647085525 385249108 /nfs/dbraw/zinc/24/91/08/385249108.db2.gz LRMMHFNMUPBCOO-MWLCHTKSSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)C[C@@]1(C)C[NH3+] ZINC000647086505 385249347 /nfs/dbraw/zinc/24/93/47/385249347.db2.gz WHVSYDQUYDFCMH-GBIKHYSHSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000647648880 385250276 /nfs/dbraw/zinc/25/02/76/385250276.db2.gz RUZJJSCVZSKPFX-MXWKQRLJSA-N 2 0 225.336 0.467 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000647648899 385251038 /nfs/dbraw/zinc/25/10/38/385251038.db2.gz XGXTXIIZIBAUBE-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CC[NH3+] ZINC000237031770 385252530 /nfs/dbraw/zinc/25/25/30/385252530.db2.gz XUQFJVYOOIKXHC-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058436 385202783 /nfs/dbraw/zinc/20/27/83/385202783.db2.gz IZQIXNWHOBXIBW-LPEHRKFASA-N 2 0 231.315 0.176 20 0 BCADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH3+] ZINC000157964416 385315683 /nfs/dbraw/zinc/31/56/83/385315683.db2.gz CQJYZBHHVPYHDE-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]C1(c2noc(CC3CC[NH2+]CC3)n2)CCC1 ZINC000647140492 385260729 /nfs/dbraw/zinc/26/07/29/385260729.db2.gz XTSMFBCHIPTRPA-UHFFFAOYSA-N 2 0 236.319 0.950 20 0 BCADRP [NH3+]C1(CC(=O)N2CCC3(CC[NH2+]3)CC2)CCC1 ZINC000647095524 385265752 /nfs/dbraw/zinc/26/57/52/385265752.db2.gz RFQJPXVYRDGSCN-UHFFFAOYSA-N 2 0 237.347 0.612 20 0 BCADRP [NH3+]C1(c2noc(CC[C@@H]3CC[NH2+]C3)n2)CCC1 ZINC000647140949 385277390 /nfs/dbraw/zinc/27/73/90/385277390.db2.gz HXRACMKBKAIPGG-SECBINFHSA-N 2 0 236.319 0.950 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]([NH3+])CC ZINC000237044936 385277428 /nfs/dbraw/zinc/27/74/28/385277428.db2.gz RTWNMKYKXQZFHE-QWRGUYRKSA-N 2 0 245.367 0.197 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000333495711 385279297 /nfs/dbraw/zinc/27/92/97/385279297.db2.gz CUNXPRJMOAYIPS-ZJUUUORDSA-N 2 0 225.336 0.243 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000336407579 385279829 /nfs/dbraw/zinc/27/98/29/385279829.db2.gz MHNILQGHCJXOQJ-VXGBXAGGSA-N 2 0 237.347 0.435 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368641975 385285639 /nfs/dbraw/zinc/28/56/39/385285639.db2.gz IUDPLDCPUDXXGP-QXEWZRGKSA-N 2 0 231.315 0.320 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647650204 385286970 /nfs/dbraw/zinc/28/69/70/385286970.db2.gz RPYZPAJDSSNRTR-ZIQFBCGOSA-N 2 0 237.347 0.180 20 0 BCADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000157804264 385288478 /nfs/dbraw/zinc/28/84/78/385288478.db2.gz NBTGIKMMBQHYPW-MNOVXSKESA-N 2 0 227.352 0.522 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000178491842 385289806 /nfs/dbraw/zinc/28/98/06/385289806.db2.gz JGABNTFOTRXIDN-SECBINFHSA-N 2 0 213.325 0.454 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000247102331 385291161 /nfs/dbraw/zinc/29/11/61/385291161.db2.gz YJUGMYDVEXJGED-USZNOCQGSA-N 2 0 239.363 0.761 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648152406 385292164 /nfs/dbraw/zinc/29/21/64/385292164.db2.gz ZXUPHBCNYXIPAB-WYUUTHIRSA-N 2 0 237.347 0.004 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000648152366 385293407 /nfs/dbraw/zinc/29/34/07/385293407.db2.gz SZVSNPMAAPITJO-MNOVXSKESA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000164994314 385334375 /nfs/dbraw/zinc/33/43/75/385334375.db2.gz PYPCRECCRQFSHS-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(C)(C)[NH3+])C1 ZINC000164992838 385334675 /nfs/dbraw/zinc/33/46/75/385334675.db2.gz LOYCBHSIBXVSMP-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000165003879 385334877 /nfs/dbraw/zinc/33/48/77/385334877.db2.gz NOUIRVWBNKXKPU-GHMZBOCLSA-N 2 0 229.368 0.818 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000165006171 385335270 /nfs/dbraw/zinc/33/52/70/385335270.db2.gz HFQWTYUXEVUUAH-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H](C(=O)NCCC[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000165081020 385346527 /nfs/dbraw/zinc/34/65/27/385346527.db2.gz WXOZFLSCCOXXAC-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000647655363 385346578 /nfs/dbraw/zinc/34/65/78/385346578.db2.gz WWJDRBMVLVVAOV-LBPRGKRZSA-N 2 0 249.314 0.333 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC[NH+]1CCCC1 ZINC000165115565 385350491 /nfs/dbraw/zinc/35/04/91/385350491.db2.gz QHTKOHBVHIBYCU-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000165154221 385355926 /nfs/dbraw/zinc/35/59/26/385355926.db2.gz RZKRDASISKKFRR-VHSXEESVSA-N 2 0 227.352 0.522 20 0 BCADRP COCCCC[N@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000397461369 385356513 /nfs/dbraw/zinc/35/65/13/385356513.db2.gz QGIVABUGMVIQPA-CYBMUJFWSA-N 2 0 244.379 0.800 20 0 BCADRP C[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000131752328 385358055 /nfs/dbraw/zinc/35/80/55/385358055.db2.gz IOZAKVVUHSCGGL-CHWFTXMASA-N 2 0 200.326 0.686 20 0 BCADRP CC(C)[N@H+](C)CCN[C@@H]1C[NH+](C)C[C@H]1C ZINC000309011691 385358390 /nfs/dbraw/zinc/35/83/90/385358390.db2.gz SAEWCUNGVXUYQG-VXGBXAGGSA-N 2 0 213.369 0.866 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H]1CCCC[NH2+]1)[C@H](C)[NH3+] ZINC000644080499 385425244 /nfs/dbraw/zinc/42/52/44/385425244.db2.gz QPXHIUKLRMIDRJ-SRVKXCTJSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@]1(C(=O)NC2CCC([NH3+])CC2)CC[NH2+]C1 ZINC000062903691 385398479 /nfs/dbraw/zinc/39/84/79/385398479.db2.gz JRUIFOCQJBPAKX-CBINBANVSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000193545489 385400461 /nfs/dbraw/zinc/40/04/61/385400461.db2.gz IZDNWHYIPNWILH-JQWIXIFHSA-N 2 0 239.363 0.633 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[NH2+]CC1(C)C ZINC000644076039 385425703 /nfs/dbraw/zinc/42/57/03/385425703.db2.gz WJROLAWGFYWWJU-SECBINFHSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[NH+](C)C ZINC000155666453 385405178 /nfs/dbraw/zinc/40/51/78/385405178.db2.gz BCFKYPWYVIENES-YPMHNXCESA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CC2(C)C)[C@H]1C[NH3+] ZINC000644063462 385411279 /nfs/dbraw/zinc/41/12/79/385411279.db2.gz AHMACTRBJBUPMN-OUAUKWLOSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644064493 385413085 /nfs/dbraw/zinc/41/30/85/385413085.db2.gz LLVMXCIMZZBVSL-GWCFXTLKSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000644082243 385428615 /nfs/dbraw/zinc/42/86/15/385428615.db2.gz RKBNSMPXOUNVET-AXFHLTTASA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)[C@H]1[NH2+]CC1(C)C)C1CC1 ZINC000644087817 385435631 /nfs/dbraw/zinc/43/56/31/385435631.db2.gz WJHSOVBEARKNMX-SKDRFNHKSA-N 2 0 225.336 0.228 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000364475383 385465848 /nfs/dbraw/zinc/46/58/48/385465848.db2.gz BJQUGHIMBBHOHF-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000364498518 385472666 /nfs/dbraw/zinc/47/26/66/385472666.db2.gz XHJODOOQSGZXNI-GHMZBOCLSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCCO1 ZINC000309201041 385476386 /nfs/dbraw/zinc/47/63/86/385476386.db2.gz AIWBQTATCFBJJS-RYUDHWBXSA-N 2 0 230.352 0.722 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000364561424 385476936 /nfs/dbraw/zinc/47/69/36/385476936.db2.gz NWFYHTHLJNSLMM-HNCHTBHHSA-N 2 0 239.363 0.985 20 0 BCADRP C[C@H]([NH3+])c1ccc(C(=O)NCC2C[NH2+]C2)cc1 ZINC000644104919 385479254 /nfs/dbraw/zinc/47/92/54/385479254.db2.gz IIVVTXPKYGWNOH-VIFPVBQESA-N 2 0 233.315 0.656 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000644107468 385480769 /nfs/dbraw/zinc/48/07/69/385480769.db2.gz POFWIEJTPNNTFW-MFKMUULPSA-N 2 0 239.363 0.490 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000364646820 385485746 /nfs/dbraw/zinc/48/57/46/385485746.db2.gz NWMFDAGBHWYOOT-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000257656430 385486626 /nfs/dbraw/zinc/48/66/26/385486626.db2.gz CKKANVLPXNFTAC-NEPJUHHUSA-N 2 0 239.363 0.444 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000257750173 385495872 /nfs/dbraw/zinc/49/58/72/385495872.db2.gz YJWXMQLMWYARJP-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000257753728 385496057 /nfs/dbraw/zinc/49/60/57/385496057.db2.gz ODYWCGRUUZYOQA-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000257751327 385497078 /nfs/dbraw/zinc/49/70/78/385497078.db2.gz GPAHGNRGEGCNSD-QWRGUYRKSA-N 2 0 225.336 0.278 20 0 BCADRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCOC1 ZINC000336724964 385497737 /nfs/dbraw/zinc/49/77/37/385497737.db2.gz ZSKJWPFLINUVSH-CHWSQXEVSA-N 2 0 244.379 0.969 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000644130361 385510348 /nfs/dbraw/zinc/51/03/48/385510348.db2.gz BQLGSYDNQSFZJH-CABZTGNLSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000309295317 385517245 /nfs/dbraw/zinc/51/72/45/385517245.db2.gz RJKYPRONBXYJJT-VHSXEESVSA-N 2 0 213.325 0.228 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000257692119 385489024 /nfs/dbraw/zinc/48/90/24/385489024.db2.gz LZZCRSPUAOHUBZ-MNOVXSKESA-N 2 0 225.336 0.420 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000257708762 385489580 /nfs/dbraw/zinc/48/95/80/385489580.db2.gz QCQLKXRBGPWSME-ZJUUUORDSA-N 2 0 213.325 0.039 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC000644144900 385536669 /nfs/dbraw/zinc/53/66/69/385536669.db2.gz QRPHVIHUMVDATH-PWSUYJOCSA-N 2 0 237.347 0.244 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000644145641 385536825 /nfs/dbraw/zinc/53/68/25/385536825.db2.gz MTBDPDNAKCQYPJ-LPEHRKFASA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CCC[NH2+][C@H]2C)CC[NH2+]C1 ZINC000364831343 385523420 /nfs/dbraw/zinc/52/34/20/385523420.db2.gz YHODHRJXIAFVSM-GVXVVHGQSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]C1 ZINC000364831350 385524220 /nfs/dbraw/zinc/52/42/20/385524220.db2.gz YHODHRJXIAFVSM-WZRBSPASSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@]1(C(=O)NCC[C@H]2CC[NH2+]C2)CCCC[NH2+]1 ZINC000180897170 385554473 /nfs/dbraw/zinc/55/44/73/385554473.db2.gz CSBDGWHPHDGWQA-DGCLKSJQSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]CCC[NH+]1CCCCC1 ZINC000309398860 385562878 /nfs/dbraw/zinc/56/28/78/385562878.db2.gz GZZQICKWKLXBJV-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000054076743 385594918 /nfs/dbraw/zinc/59/49/18/385594918.db2.gz XACGCHKTCMXVMR-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000647705989 385580486 /nfs/dbraw/zinc/58/04/86/385580486.db2.gz ZZTJQHCNATYETF-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](O)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000647909477 385627458 /nfs/dbraw/zinc/62/74/58/385627458.db2.gz QNTGNBXJOKVITJ-SNVBAGLBSA-N 2 0 230.352 0.192 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366562259 385630632 /nfs/dbraw/zinc/63/06/32/385630632.db2.gz AXEOIUZMKPSZDA-VWYCJHECSA-N 2 0 243.326 0.192 20 0 BCADRP C[C@@]([NH3+])(C(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000195231772 385632237 /nfs/dbraw/zinc/63/22/37/385632237.db2.gz DVPWNEUZONVSEJ-FZMZJTMJSA-N 2 0 247.342 0.668 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000309511834 385647159 /nfs/dbraw/zinc/64/71/59/385647159.db2.gz XOCBIHAPFAZLMS-RYUDHWBXSA-N 2 0 211.353 0.657 20 0 BCADRP C[C@H](NC(=O)C(C)(C)[NH3+])[C@H]1CCC[NH2+]C1 ZINC000309512122 385647464 /nfs/dbraw/zinc/64/74/64/385647464.db2.gz XPYZBZPQRJRABX-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000309514280 385648055 /nfs/dbraw/zinc/64/80/55/385648055.db2.gz YFDBYBRBRVPDKF-GXSJLCMTSA-N 2 0 215.341 0.603 20 0 BCADRP C(CN1CCC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000309537362 385675819 /nfs/dbraw/zinc/67/58/19/385675819.db2.gz FLMIOWCQQKAOGD-STQMWFEESA-N 2 0 223.364 0.909 20 0 BCADRP C[NH2+]C[C@H](C)CNC[C@H]([NH3+])CC(C)C ZINC000414852403 385676524 /nfs/dbraw/zinc/67/65/24/385676524.db2.gz RBZZGFRZUGVFBR-WDEREUQCSA-N 2 0 201.358 0.805 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000337502502 385687720 /nfs/dbraw/zinc/68/77/20/385687720.db2.gz DWGSFBZJCASDLQ-AXFHLTTASA-N 2 0 227.352 0.556 20 0 BCADRP OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647792998 385698375 /nfs/dbraw/zinc/69/83/75/385698375.db2.gz HEJSUWIEEOUPPI-QSLWVIQJSA-N 2 0 236.359 0.901 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000645241371 385698562 /nfs/dbraw/zinc/69/85/62/385698562.db2.gz OATPQQFRIALQHJ-JTQLQIEISA-N 2 0 225.336 0.195 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000309806131 259674496 /nfs/dbraw/zinc/67/44/96/259674496.db2.gz SEOTYRUFRVAICV-UWVGGRQHSA-N 2 0 215.341 0.476 20 0 BCADRP CC(C)C[C@H](C[NH3+])NCc1nccn1C ZINC000414855614 385702776 /nfs/dbraw/zinc/70/27/76/385702776.db2.gz XJDLCQNJWQPXJI-SNVBAGLBSA-N 2 0 210.325 0.883 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000055086006 385705203 /nfs/dbraw/zinc/70/52/03/385705203.db2.gz KEISXPWVGJZPDE-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H](Cn1cccn1)[NH2+]CCn1ccnc1 ZINC000122678897 385714734 /nfs/dbraw/zinc/71/47/34/385714734.db2.gz OEHNMYDIWPKDIL-LLVKDONJSA-N 2 0 219.292 0.758 20 0 BCADRP C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)C(N)=O ZINC000116396178 385730798 /nfs/dbraw/zinc/73/07/98/385730798.db2.gz PICUKZSBPFVEQU-UWVGGRQHSA-N 2 0 229.368 0.816 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000337623459 385735188 /nfs/dbraw/zinc/73/51/88/385735188.db2.gz IIYDHIIVPWKLOW-NSHDSACASA-N 2 0 229.368 0.785 20 0 BCADRP CC[N@@H+]1CC[C@H](NCCC[NH2+]C)[C@@H](C)C1 ZINC000414859815 385739191 /nfs/dbraw/zinc/73/91/91/385739191.db2.gz NXGOWGFHKOAHSV-RYUDHWBXSA-N 2 0 213.369 0.916 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC(C)(C)CCC[NH3+] ZINC000340132142 385740746 /nfs/dbraw/zinc/74/07/46/385740746.db2.gz XXBVPZVOTMCROI-UHFFFAOYSA-N 2 0 229.368 0.960 20 0 BCADRP C[C@@H]1CCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000414865378 385768561 /nfs/dbraw/zinc/76/85/61/385768561.db2.gz LCDKPOPCVITQAZ-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH3+])[NH+](C)C ZINC000309649489 385770033 /nfs/dbraw/zinc/77/00/33/385770033.db2.gz XGQZTVJNWWYAQI-RKDXNWHRSA-N 2 0 201.314 0.036 20 0 BCADRP CSC1(C[NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000336655899 385773607 /nfs/dbraw/zinc/77/36/07/385773607.db2.gz AGROLULWVCZUEI-UHFFFAOYSA-N 2 0 244.404 0.928 20 0 BCADRP Cc1cnc(C[NH2+]CCN2CCC2)n1C ZINC000336735902 385722707 /nfs/dbraw/zinc/72/27/07/385722707.db2.gz OVOBMYBWGDVUII-UHFFFAOYSA-N 2 0 208.309 0.524 20 0 BCADRP CCC[NH2+]CCNCC[NH2+]C(C)(C)C ZINC000414867837 385812367 /nfs/dbraw/zinc/81/23/67/385812367.db2.gz JMLMMUZIEHFYAF-UHFFFAOYSA-N 2 0 201.358 0.964 20 0 BCADRP CCSCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000336716096 385814621 /nfs/dbraw/zinc/81/46/21/385814621.db2.gz XDTYXKGDVMQWPU-NSHDSACASA-N 2 0 232.393 0.786 20 0 BCADRP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)C[NH3+])cc1 ZINC000261716226 385827845 /nfs/dbraw/zinc/82/78/45/385827845.db2.gz DWAUUUZDVITRLF-CYBMUJFWSA-N 2 0 247.342 0.681 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000261806666 385830340 /nfs/dbraw/zinc/83/03/40/385830340.db2.gz SICXLMUCBNKQKX-GWCFXTLKSA-N 2 0 247.342 0.425 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000647805689 385843447 /nfs/dbraw/zinc/84/34/47/385843447.db2.gz LEWFFOVIBIWUEN-VIFPVBQESA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000638114384 385849200 /nfs/dbraw/zinc/84/92/00/385849200.db2.gz IGXGTRUSQJWWCJ-JLLWLGSASA-N 2 0 237.347 0.633 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC2(C[NH3+])CCCC2)CC[N@@H+]1C ZINC000647806267 385850786 /nfs/dbraw/zinc/85/07/86/385850786.db2.gz BMXYMCFBQFWMFC-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000638115887 385852756 /nfs/dbraw/zinc/85/27/56/385852756.db2.gz KDWIDBORMNSULC-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000638115885 385852782 /nfs/dbraw/zinc/85/27/82/385852782.db2.gz KDWIDBORMNSULC-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP Cc1nc(CN2CCC[C@@H](CC[NH3+])C2)no1 ZINC000069724119 385854662 /nfs/dbraw/zinc/85/46/62/385854662.db2.gz DOUVGHYABGPQFL-JTQLQIEISA-N 2 0 224.308 0.939 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)c1c[nH+]ccc1N ZINC000294728702 385887896 /nfs/dbraw/zinc/88/78/96/385887896.db2.gz DCXPJFCDRFLJQY-VIFPVBQESA-N 2 0 236.319 0.911 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000294779866 385895882 /nfs/dbraw/zinc/89/58/82/385895882.db2.gz NRKYTYQWHWOKJK-DGCLKSJQSA-N 2 0 247.342 0.945 20 0 BCADRP CCCN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000647768053 385897197 /nfs/dbraw/zinc/89/71/97/385897197.db2.gz RSEXWOONTTYZQG-NNYUYHANSA-N 2 0 237.347 0.052 20 0 BCADRP CNC(=O)c1cccc(CN(C)CCC[NH3+])c1 ZINC000647848117 385898446 /nfs/dbraw/zinc/89/84/46/385898446.db2.gz FGFWNJLCNYHCIA-UHFFFAOYSA-N 2 0 235.331 0.827 20 0 BCADRP CN(CCC[NH3+])CC(=O)NC(C1CC1)C1CC1 ZINC000647849273 385900732 /nfs/dbraw/zinc/90/07/32/385900732.db2.gz NMNMVKDLRZAYDO-UHFFFAOYSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000647858640 385914212 /nfs/dbraw/zinc/91/42/12/385914212.db2.gz WCMWGIFZNHXLDT-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000331759729 385917525 /nfs/dbraw/zinc/91/75/25/385917525.db2.gz JWSFPNGCBJQTNN-BBBLOLIVSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@H]1C[C@H](N(C)C(=O)C2(C)C[NH2+]C2)CC[N@@H+]1C ZINC000335032300 385921846 /nfs/dbraw/zinc/92/18/46/385921846.db2.gz NQDWFLFNIQKKCO-WDEREUQCSA-N 2 0 239.363 0.537 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000335036241 385925523 /nfs/dbraw/zinc/92/55/23/385925523.db2.gz ATPDTEHSCBQQRS-ZDUSSCGKSA-N 2 0 239.363 0.811 20 0 BCADRP CC(C)([NH3+])CCC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000647768437 385925629 /nfs/dbraw/zinc/92/56/29/385925629.db2.gz ZXXKQQJFKQKLNG-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[NH+]2CCC1CC2 ZINC000335036003 385925628 /nfs/dbraw/zinc/92/56/28/385925628.db2.gz HCMGMUSQMYQWAB-LLVKDONJSA-N 2 0 237.347 0.293 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000262610139 385865353 /nfs/dbraw/zinc/86/53/53/385865353.db2.gz BOOMZNZGSPCZJX-STQMWFEESA-N 2 0 247.342 0.863 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000647824965 385867119 /nfs/dbraw/zinc/86/71/19/385867119.db2.gz JRAYWNGCOATBGT-DTWKUNHWSA-N 2 0 249.305 0.331 20 0 BCADRP C[NH+](C)C/C=C/C(=O)NCC1=CC[N@H+](C)CC1 ZINC000272003874 385868525 /nfs/dbraw/zinc/86/85/25/385868525.db2.gz SBLUSJCUAGORCC-SNAWJCMRSA-N 2 0 237.347 0.482 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CCC[NH2+]1 ZINC000647816988 385870742 /nfs/dbraw/zinc/87/07/42/385870742.db2.gz VGGMOHRXLOQWTE-NTZNESFSSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CC[N@@H+]1C ZINC000647817012 385871169 /nfs/dbraw/zinc/87/11/69/385871169.db2.gz YKRDRHOZAALQEW-IRCOFANPSA-N 2 0 239.363 0.522 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647820869 385871385 /nfs/dbraw/zinc/87/13/85/385871385.db2.gz HKBAZIYIEXSENU-CYBMUJFWSA-N 2 0 249.358 0.817 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1C[NH3+] ZINC000647822252 385872745 /nfs/dbraw/zinc/87/27/45/385872745.db2.gz ICYDJIOGGXLLGD-MMWGEVLESA-N 2 0 225.336 0.310 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000647831337 385874984 /nfs/dbraw/zinc/87/49/84/385874984.db2.gz JIIGCBRCMLQMAI-VXGBXAGGSA-N 2 0 241.379 0.878 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000647829257 385878850 /nfs/dbraw/zinc/87/88/50/385878850.db2.gz CRWZYCGSPHRUMB-HBNTYKKESA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000647829450 385879034 /nfs/dbraw/zinc/87/90/34/385879034.db2.gz IRDNKNMAVHALKH-CHWFTXMASA-N 2 0 225.336 0.357 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000647767587 385881273 /nfs/dbraw/zinc/88/12/73/385881273.db2.gz UOKRXUOEDPALIR-QNWHQSFQSA-N 2 0 245.326 0.268 20 0 BCADRP CC[C@@H](C(=O)NC1(C[NH+](C)C)CCC1)[NH+](C)C ZINC000413777082 385882502 /nfs/dbraw/zinc/88/25/02/385882502.db2.gz XRCIHOACVXHSBP-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000647865398 385994819 /nfs/dbraw/zinc/99/48/19/385994819.db2.gz IETFVQRKWSDKRB-SRVKXCTJSA-N 2 0 227.352 0.034 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000295173097 385984789 /nfs/dbraw/zinc/98/47/89/385984789.db2.gz LRKWRXDKUKAJSK-QWHCGFSZSA-N 2 0 249.358 0.828 20 0 BCADRP C[C@](C[NH3+])([NH2+]CCOC[C@H]1CCCO1)C1CC1 ZINC000647867940 385986760 /nfs/dbraw/zinc/98/67/60/385986760.db2.gz WNLVBEULPARIIM-CHWSQXEVSA-N 2 0 242.363 0.899 20 0 BCADRP C[C@@H](CS(C)(=O)=O)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336749007 385990488 /nfs/dbraw/zinc/99/04/88/385990488.db2.gz TVIUNCJTLJQROK-JTQLQIEISA-N 2 0 246.376 0.271 20 0 BCADRP [NH3+]CCCC(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000639020016 385932200 /nfs/dbraw/zinc/93/22/00/385932200.db2.gz KYRNQTZTQBHOMF-LLVKDONJSA-N 2 0 247.342 0.890 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639020122 385933000 /nfs/dbraw/zinc/93/30/00/385933000.db2.gz CKSZREKORUHGLG-QWRGUYRKSA-N 2 0 225.336 0.149 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1cn[nH]c1 ZINC000309009027 385933569 /nfs/dbraw/zinc/93/35/69/385933569.db2.gz OHJNQYHJDQDRHQ-ONGXEEELSA-N 2 0 208.309 0.621 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000295214203 385992968 /nfs/dbraw/zinc/99/29/68/385992968.db2.gz LYRWLQCNZHIDLK-NEPJUHHUSA-N 2 0 235.331 0.930 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000294982590 385934178 /nfs/dbraw/zinc/93/41/78/385934178.db2.gz YJBXXSYLTSUISW-JTQLQIEISA-N 2 0 248.330 0.926 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC000335042628 385937067 /nfs/dbraw/zinc/93/70/67/385937067.db2.gz FFEYRCDGRWAQPB-NXEZZACHSA-N 2 0 225.336 0.467 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000647748065 385993192 /nfs/dbraw/zinc/99/31/92/385993192.db2.gz AZLVVPALGYECLS-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)c2c[nH+]ccc2N)CC[NH2+]1 ZINC000295005551 385942271 /nfs/dbraw/zinc/94/22/71/385942271.db2.gz LQFZKYRZVRJHJK-RKDXNWHRSA-N 2 0 234.303 0.534 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)C[NH3+] ZINC000417443968 385947893 /nfs/dbraw/zinc/94/78/93/385947893.db2.gz BMBJOYOOTNGKMX-UWVGGRQHSA-N 2 0 230.356 0.363 20 0 BCADRP CC[NH2+]CCNC(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000417446470 385953820 /nfs/dbraw/zinc/95/38/20/385953820.db2.gz LNNBUGBZQSAXMY-NSHDSACASA-N 2 0 244.383 0.625 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000295055041 385953934 /nfs/dbraw/zinc/95/39/34/385953934.db2.gz PWJJCOWSNWMMPJ-LBPRGKRZSA-N 2 0 249.358 0.959 20 0 BCADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CC1 ZINC000336768679 385954690 /nfs/dbraw/zinc/95/46/90/385954690.db2.gz UVKKNMZZBXHRRO-JTQLQIEISA-N 2 0 212.337 0.831 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCCCC[NH3+] ZINC000417449156 385958100 /nfs/dbraw/zinc/95/81/00/385958100.db2.gz XNLGTBXUJVZZBE-NSHDSACASA-N 2 0 244.383 0.755 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417446802 385958329 /nfs/dbraw/zinc/95/83/29/385958329.db2.gz NHGKKHYJNZEVGU-MNOVXSKESA-N 2 0 244.383 0.705 20 0 BCADRP [NH3+]C[C@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000263226053 385960729 /nfs/dbraw/zinc/96/07/29/385960729.db2.gz CFWRVUHBXLWIDB-OLZOCXBDSA-N 2 0 247.342 0.930 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000417447850 385961162 /nfs/dbraw/zinc/96/11/62/385961162.db2.gz RWEQPWJYLHYOSA-QWRGUYRKSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@@H](O)C[N@H+](C)CCCc1cncn1C ZINC000314497833 385965173 /nfs/dbraw/zinc/96/51/73/385965173.db2.gz DXJSSSAFDYDDFH-SNVBAGLBSA-N 2 0 211.309 0.665 20 0 BCADRP CCCCNC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000111612389 385968909 /nfs/dbraw/zinc/96/89/09/385968909.db2.gz NWKOGVAVGNXMGC-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[N@H+]1CC=C(C[NH2+]CC2(C)COC2)CC1 ZINC000336747039 385968917 /nfs/dbraw/zinc/96/89/17/385968917.db2.gz BOJXQTMRHSTVJX-UHFFFAOYSA-N 2 0 210.321 0.874 20 0 BCADRP Cc1nn(C)cc1CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000128279386 385970480 /nfs/dbraw/zinc/97/04/80/385970480.db2.gz QYEHHQLOQSTPFQ-BXKDBHETSA-N 2 0 222.336 0.898 20 0 BCADRP Cn1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1=O ZINC000647925247 385972410 /nfs/dbraw/zinc/97/24/10/385972410.db2.gz ABCRJHHYYXSTMX-UHFFFAOYSA-N 2 0 235.331 0.699 20 0 BCADRP CC[NH+](CC)CCCN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647865874 385999488 /nfs/dbraw/zinc/99/94/88/385999488.db2.gz WCFHYSCIFAQJIL-CHWSQXEVSA-N 2 0 243.395 0.766 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)c1c[nH+]ccc1N ZINC000295256381 386000553 /nfs/dbraw/zinc/00/05/53/386000553.db2.gz QVSZGUUIQYXZSK-ZETCQYMHSA-N 2 0 208.265 0.131 20 0 BCADRP c1n[nH]cc1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000309272819 386001835 /nfs/dbraw/zinc/00/18/35/386001835.db2.gz LLFPCMKGWZPZTO-NWDGAFQWSA-N 2 0 220.320 0.636 20 0 BCADRP C[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1nccs1 ZINC000336750386 386003443 /nfs/dbraw/zinc/00/34/43/386003443.db2.gz UUJLVSOLAXPFKC-MWLCHTKSSA-N 2 0 241.360 0.860 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000309392284 386007235 /nfs/dbraw/zinc/00/72/35/386007235.db2.gz GBISSEKAYYIMCB-AEJSXWLSSA-N 2 0 211.309 0.077 20 0 BCADRP CC[N@H+](CCNC(=O)N1CC[C@H]([NH3+])C1)C(C)C ZINC000417459256 386010782 /nfs/dbraw/zinc/01/07/82/386010782.db2.gz IWJWUPYNVLYIKD-NSHDSACASA-N 2 0 242.367 0.459 20 0 BCADRP O=C(NCc1c[nH]cn1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000335069503 386016253 /nfs/dbraw/zinc/01/62/53/386016253.db2.gz LXYMYRFHKHFOPP-GXFFZTMASA-N 2 0 248.330 0.806 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925277 386018347 /nfs/dbraw/zinc/01/83/47/386018347.db2.gz MCCOTNQMTAFXIG-WHOHXGKFSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000335061301 386026839 /nfs/dbraw/zinc/02/68/39/386026839.db2.gz MOXLHYGEKCXIMC-GXSJLCMTSA-N 2 0 233.315 0.640 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000335062506 386029678 /nfs/dbraw/zinc/02/96/78/386029678.db2.gz OVDWHICYDPDYDY-MWLCHTKSSA-N 2 0 233.315 0.498 20 0 BCADRP CCN(CCO)CC[NH2+]C1CC(OC(C)C)C1 ZINC000189583041 386034149 /nfs/dbraw/zinc/03/41/49/386034149.db2.gz RQZIBPIMGJYXPV-UHFFFAOYSA-N 2 0 244.379 0.846 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000647754518 386102324 /nfs/dbraw/zinc/10/23/24/386102324.db2.gz KLECTWCWPOUHDW-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP CCN(C)C[C@@H](O)C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000647968911 386110968 /nfs/dbraw/zinc/11/09/68/386110968.db2.gz BBZUDZKCCQPSNU-NEPJUHHUSA-N 2 0 246.395 0.638 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000054339697 386120141 /nfs/dbraw/zinc/12/01/41/386120141.db2.gz OZQHNRCKLRUZQM-SECBINFHSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000054339695 386120276 /nfs/dbraw/zinc/12/02/76/386120276.db2.gz OZQHNRCKLRUZQM-VIFPVBQESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](C(=O)NCC[N@H+](C)C1CC1)C1C[NH2+]C1 ZINC000129230402 386066900 /nfs/dbraw/zinc/06/69/00/386066900.db2.gz JLWQTRXZRCXKEE-VIFPVBQESA-N 2 0 225.336 0.052 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](N)C2)CC[NH2+]1 ZINC000414651701 386073379 /nfs/dbraw/zinc/07/33/79/386073379.db2.gz FWGVDFJMGSWUFY-WOPDTQHZSA-N 2 0 211.353 0.798 20 0 BCADRP CN(C(=O)C[NH2+]C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000310093913 386096639 /nfs/dbraw/zinc/09/66/39/386096639.db2.gz KOQSBVJDSRJAQW-GFCCVEGCSA-N 2 0 237.347 0.291 20 0 BCADRP CC(C)NC(=O)C[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414673080 386145141 /nfs/dbraw/zinc/14/51/41/386145141.db2.gz BNJDDEFOPREFMX-VXGBXAGGSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)NC(=O)C[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414673075 386145401 /nfs/dbraw/zinc/14/54/01/386145401.db2.gz BNJDDEFOPREFMX-NWDGAFQWSA-N 2 0 241.379 0.831 20 0 BCADRP CC(=O)N1CCCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414673488 386146842 /nfs/dbraw/zinc/14/68/42/386146842.db2.gz CILZZBIPRMOWJG-ZDUSSCGKSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]1 ZINC000414676163 386149713 /nfs/dbraw/zinc/14/97/13/386149713.db2.gz UUTFSVVLAXZXLZ-WOPDTQHZSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCN1CC[NH2+]CC1 ZINC000414892228 386151359 /nfs/dbraw/zinc/15/13/59/386151359.db2.gz XNOSWGLRIXBXBD-OLZOCXBDSA-N 3 0 240.395 0.012 20 0 BCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000334476059 386153534 /nfs/dbraw/zinc/15/35/34/386153534.db2.gz OLNYYAOQUAVMJR-PWSUYJOCSA-N 2 0 237.347 0.434 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055088191 386153959 /nfs/dbraw/zinc/15/39/59/386153959.db2.gz ZQZRPYIDITVDRC-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000055086333 386154095 /nfs/dbraw/zinc/15/40/95/386154095.db2.gz UYMTYURJCZULGW-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH+](C)CCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000055122430 386158837 /nfs/dbraw/zinc/15/88/37/386158837.db2.gz LAVCRUQQSZJKSO-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)C ZINC000346182023 386160298 /nfs/dbraw/zinc/16/02/98/386160298.db2.gz CHYLZIVRFCQXTO-SNVBAGLBSA-N 2 0 215.341 0.393 20 0 BCADRP CCOC(=O)C[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414678703 386160799 /nfs/dbraw/zinc/16/07/99/386160799.db2.gz QVJZXZZVIPSHRN-WDEREUQCSA-N 2 0 228.336 0.869 20 0 BCADRP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000346139736 386165467 /nfs/dbraw/zinc/16/54/67/386165467.db2.gz OMTCGVZTZUKKIL-PWSUYJOCSA-N 2 0 239.363 0.680 20 0 BCADRP CC[N@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000346157096 386171553 /nfs/dbraw/zinc/17/15/53/386171553.db2.gz TYUUJOKULKUQEE-TXEJJXNPSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](C)CC1 ZINC000055368229 386171817 /nfs/dbraw/zinc/17/18/17/386171817.db2.gz FYRFSERMHKRZGQ-ZYHUDNBSSA-N 2 0 241.379 0.912 20 0 BCADRP CC[N@@H+](CC(=O)OC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414686446 386173723 /nfs/dbraw/zinc/17/37/23/386173723.db2.gz ASKIFPKYIXTLNG-WDEREUQCSA-N 2 0 228.336 0.869 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000336754072 386174795 /nfs/dbraw/zinc/17/47/95/386174795.db2.gz WSPZONLSPASNBE-AEJSXWLSSA-N 2 0 213.325 0.323 20 0 BCADRP COC(=O)C[C@H]1CCC[N@@H+]1CCC[NH3+] ZINC000414693848 386191035 /nfs/dbraw/zinc/19/10/35/386191035.db2.gz FLQYNEUBTOQCOP-SECBINFHSA-N 2 0 200.282 0.363 20 0 BCADRP CC[N@H+](CC(=O)N[C@@H](C)C[NH+](C)C)C1CC1 ZINC000346238000 386178803 /nfs/dbraw/zinc/17/88/03/386178803.db2.gz ZJYFDDFYTANHRQ-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H](NC(=O)c1c[nH+]ccc1N)[C@H]1CCC[NH2+]C1 ZINC000296597284 386187639 /nfs/dbraw/zinc/18/76/39/386187639.db2.gz YEJAEMHTYDMJAT-UWVGGRQHSA-N 2 0 248.330 0.782 20 0 BCADRP CN(C(=O)[C@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000054622451 386129999 /nfs/dbraw/zinc/12/99/99/386129999.db2.gz CLQNGOXEKWKANI-LLVKDONJSA-N 2 0 225.336 0.291 20 0 BCADRP C[NH+]1CCC(NC(=O)c2ccnc(C[NH3+])c2)CC1 ZINC000129974432 386133572 /nfs/dbraw/zinc/13/35/72/386133572.db2.gz ZVEXWHKXNIYGJC-UHFFFAOYSA-N 2 0 248.330 0.364 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(CC)CCC[NH+](C)C ZINC000638294360 386135367 /nfs/dbraw/zinc/13/53/67/386135367.db2.gz PQPYGXQGWDNDJP-NSHDSACASA-N 2 0 229.368 0.785 20 0 BCADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000414891740 386143142 /nfs/dbraw/zinc/14/31/42/386143142.db2.gz WWNDESOMUPWAEZ-TUAOUCFPSA-N 2 0 211.353 0.668 20 0 BCADRP CNC(=O)CCC[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414702312 386208118 /nfs/dbraw/zinc/20/81/18/386208118.db2.gz IHEPNAJIEUVLJO-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(CCC[NH3+])C1 ZINC000414702631 386210549 /nfs/dbraw/zinc/21/05/49/386210549.db2.gz IXEJDCIEILUOKJ-LBPRGKRZSA-N 2 0 213.369 0.999 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000132010958 386220579 /nfs/dbraw/zinc/22/05/79/386220579.db2.gz CTBUTXJKNLMJBN-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000131773576 386222421 /nfs/dbraw/zinc/22/24/21/386222421.db2.gz WKWMVFJVYYTWRU-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)[C@@H]1C[NH3+] ZINC000237708343 259684488 /nfs/dbraw/zinc/68/44/88/259684488.db2.gz IDRIARYGFTWIQV-GARJFASQSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000131931207 386226688 /nfs/dbraw/zinc/22/66/88/386226688.db2.gz JKVBGCSWPZUJGW-PWSUYJOCSA-N 2 0 227.352 0.476 20 0 BCADRP CC[NH+](CC)CC(=O)NCc1nccn1C ZINC000264353527 386229351 /nfs/dbraw/zinc/22/93/51/386229351.db2.gz XIZTUNYVDDKGHR-UHFFFAOYSA-N 2 0 224.308 0.378 20 0 BCADRP COC[C@](C)(CCO)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414714824 386233451 /nfs/dbraw/zinc/23/34/51/386233451.db2.gz VWDDKDHSJRMNGQ-XQQFMLRXSA-N 2 0 244.379 0.752 20 0 BCADRP C[C@H]1SCC[N@H+](CCN2CC[NH2+]CC2)[C@H]1C ZINC000132420009 386234147 /nfs/dbraw/zinc/23/41/47/386234147.db2.gz VRNGDZONYRYKGI-NWDGAFQWSA-N 2 0 243.420 0.717 20 0 BCADRP C[C@H](C(=O)N1C[C@H]([NH3+])Cc2ccccc21)[NH+](C)C ZINC000638350041 386241734 /nfs/dbraw/zinc/24/17/34/386241734.db2.gz AOMFORJLYMQGCR-ZYHUDNBSSA-N 2 0 247.342 0.853 20 0 BCADRP CC[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414695138 386198674 /nfs/dbraw/zinc/19/86/74/386198674.db2.gz OEBDJPSKICXIGC-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000414698090 386198957 /nfs/dbraw/zinc/19/89/57/386198957.db2.gz RUKOZHQHLCNGFG-CYBMUJFWSA-N 2 0 241.379 0.379 20 0 BCADRP COC(=O)[C@@H](C)C[N@H+](CCC[NH3+])C1CC1 ZINC000414698378 386199306 /nfs/dbraw/zinc/19/93/06/386199306.db2.gz DEJADVCXQNVNKS-VIFPVBQESA-N 2 0 214.309 0.609 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC[C@@H]1CC[NH2+]C1 ZINC000647987984 386289606 /nfs/dbraw/zinc/28/96/06/386289606.db2.gz BPULNSUKBHCZEQ-KKOKHZNYSA-N 2 0 211.353 0.572 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000430692615 386291413 /nfs/dbraw/zinc/29/14/13/386291413.db2.gz TZZZLZVLXSYHGL-GHMZBOCLSA-N 2 0 227.352 0.426 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC[C@H]1CC[NH2+]C1 ZINC000647987986 386291492 /nfs/dbraw/zinc/29/14/92/386291492.db2.gz BPULNSUKBHCZEQ-WYUUTHIRSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000058119017 386294653 /nfs/dbraw/zinc/29/46/53/386294653.db2.gz XRPYVLUHSBRTHB-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP O=C(C1C[NH2+]C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000091408942 386297132 /nfs/dbraw/zinc/29/71/32/386297132.db2.gz VAKLAMXQZPZQKS-GFCCVEGCSA-N 2 0 237.347 0.293 20 0 BCADRP CC[C@H]1C(=O)N(CC)CCN1CCC[NH3+] ZINC000414734934 386297363 /nfs/dbraw/zinc/29/73/63/386297363.db2.gz FEUQNEHFHDJJAW-JTQLQIEISA-N 2 0 213.325 0.278 20 0 BCADRP Cc1nnc([C@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)[nH]1 ZINC000647988409 386301975 /nfs/dbraw/zinc/30/19/75/386301975.db2.gz FWXPFLOVJSKIIA-NEPJUHHUSA-N 2 0 249.362 0.902 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CC[C@H](C)C[C@@H]1C(N)=O ZINC000414736945 386304610 /nfs/dbraw/zinc/30/46/10/386304610.db2.gz HZEGDHMXTYFQRM-SDDRHHMPSA-N 2 0 241.379 0.946 20 0 BCADRP CC1CC[NH+](CCCNC(=O)C2([NH3+])CC2)CC1 ZINC000088130814 386305020 /nfs/dbraw/zinc/30/50/20/386305020.db2.gz TVPDXPLQELIJLZ-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP CNC(=O)CC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647886720 386306046 /nfs/dbraw/zinc/30/60/46/386306046.db2.gz OCKKWTMLXOYHSS-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CCCC[NH2+]1 ZINC000180896746 386306999 /nfs/dbraw/zinc/30/69/99/386306999.db2.gz QVVCCEXXAOYVTG-JQWIXIFHSA-N 2 0 225.336 0.387 20 0 BCADRP C[N@@H+]1CC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC000334509274 386308140 /nfs/dbraw/zinc/30/81/40/386308140.db2.gz CUCAULVICFWBHQ-ZDUSSCGKSA-N 2 0 234.347 0.911 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430629167 386314292 /nfs/dbraw/zinc/31/42/92/386314292.db2.gz OGJPAKHRWYYCSS-QWRGUYRKSA-N 2 0 241.379 0.864 20 0 BCADRP COCCOC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647884710 386263642 /nfs/dbraw/zinc/26/36/42/386263642.db2.gz ZPZSBZYKCMNHQE-GFCCVEGCSA-N 2 0 242.363 0.723 20 0 BCADRP C[C@@H](O)C[N@H+](CCO)CC[C@@H]1CCC[NH+]1C ZINC000336656818 386274939 /nfs/dbraw/zinc/27/49/39/386274939.db2.gz LRFJWBBAKVPQSA-NEPJUHHUSA-N 2 0 230.352 0.146 20 0 BCADRP C[N@H+](CCCC1CC[NH2+]CC1)C[C@H](O)C[NH3+] ZINC000647987577 386276041 /nfs/dbraw/zinc/27/60/41/386276041.db2.gz FNDNDOZQZFLGTQ-GFCCVEGCSA-N 3 0 229.368 0.018 20 0 BCADRP COC[C@@H]1CCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000339290050 386341194 /nfs/dbraw/zinc/34/11/94/386341194.db2.gz HSVKYEVIHCUWRB-NWDGAFQWSA-N 2 0 228.336 0.162 20 0 BCADRP CC(C)C[C@@H]1C(=O)NCCN1C[C@@H]1CC[NH2+]C1 ZINC000647989185 386347730 /nfs/dbraw/zinc/34/77/30/386347730.db2.gz ULEMWXARCIXYMJ-VXGBXAGGSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000417547079 386348799 /nfs/dbraw/zinc/34/87/99/386348799.db2.gz GNWRBISWPXJGPU-ZJUUUORDSA-N 2 0 242.367 0.363 20 0 BCADRP C[C@@H](CNC(=O)/C=C/C[NH+](C)C)[NH+](C)C ZINC000265602994 386350490 /nfs/dbraw/zinc/35/04/90/386350490.db2.gz CRFHPONINXTVAH-FGEFZZPRSA-N 2 0 213.325 0.171 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCN(C)C(=O)[C@@H]2C)CC[NH2+]1 ZINC000414748057 386359123 /nfs/dbraw/zinc/35/91/23/386359123.db2.gz VWANEBGIJONVFE-WOPDTQHZSA-N 2 0 239.363 0.537 20 0 BCADRP COCCOC[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647890061 386359330 /nfs/dbraw/zinc/35/93/30/386359330.db2.gz KOPCVVXEGZJTMV-QWHCGFSZSA-N 2 0 242.363 0.581 20 0 BCADRP Cn1nccc1CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000336691247 386360261 /nfs/dbraw/zinc/36/02/61/386360261.db2.gz FICCZYXKJQDVPJ-LBPRGKRZSA-N 2 0 236.363 0.846 20 0 BCADRP CCCCN(CC(N)=O)CC(C)(C)[NH3+] ZINC000336774742 386364031 /nfs/dbraw/zinc/36/40/31/386364031.db2.gz ZPKQYTUYGRGTDJ-UHFFFAOYSA-N 2 0 201.314 0.311 20 0 BCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(CCC[NH3+])C1 ZINC000414749859 386367271 /nfs/dbraw/zinc/36/72/71/386367271.db2.gz WVXIFJTWLCZGCA-ZDUSSCGKSA-N 2 0 225.380 0.999 20 0 BCADRP CCN(CCO)CC[NH2+]C[C@H]1CCSC1 ZINC000336774463 386374462 /nfs/dbraw/zinc/37/44/62/386374462.db2.gz ZWDWRFWXKRPXDF-LLVKDONJSA-N 2 0 232.393 0.643 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000237465972 386380875 /nfs/dbraw/zinc/38/08/75/386380875.db2.gz QENFSGVWDKJSNB-SNVBAGLBSA-N 2 0 235.331 0.712 20 0 BCADRP CO[C@@H]1C[N@H+](CCn2ccnc2)C[C@@H]1OC ZINC000276853959 386384392 /nfs/dbraw/zinc/38/43/92/386384392.db2.gz JJBBQEMXFMOVHI-PHIMTYICSA-N 2 0 225.292 0.229 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)CN(C)C)CC1 ZINC000334484383 386326338 /nfs/dbraw/zinc/32/63/38/386326338.db2.gz ZWUTYORQJHARPI-UHFFFAOYSA-N 2 0 227.352 0.491 20 0 BCADRP C[C@@H]1CC2(CN1C(=O)CCC[NH3+])CC[NH2+]CC2 ZINC000335274577 386331143 /nfs/dbraw/zinc/33/11/43/386331143.db2.gz CELYBAWZLFANHA-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000092132761 386332938 /nfs/dbraw/zinc/33/29/38/386332938.db2.gz JRQZAATTYUUEKI-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C)C[NH2+]C)C1 ZINC000092136961 386334222 /nfs/dbraw/zinc/33/42/22/386334222.db2.gz IIVZVBUWXSMTCC-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@]1(CNCC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000414903184 386334501 /nfs/dbraw/zinc/33/45/01/386334501.db2.gz JGMQQOLAFPGLKP-NEPJUHHUSA-N 2 0 211.353 0.718 20 0 BCADRP Cn1cncc1CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000335275539 386335291 /nfs/dbraw/zinc/33/52/91/386335291.db2.gz CZACRRPWVZWHAU-GHMZBOCLSA-N 2 0 208.309 0.780 20 0 BCADRP C[C@]1(CNCC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000414903186 386335624 /nfs/dbraw/zinc/33/56/24/386335624.db2.gz JGMQQOLAFPGLKP-VXGBXAGGSA-N 2 0 211.353 0.718 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)NCCCC[NH3+] ZINC000417003301 386436697 /nfs/dbraw/zinc/43/66/97/386436697.db2.gz HAUOWHIZZMYPIC-LLVKDONJSA-N 2 0 244.383 0.755 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000417004863 386436973 /nfs/dbraw/zinc/43/69/73/386436973.db2.gz IFNKRHWKHUQZOU-GHMZBOCLSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccn1 ZINC000647992059 386438100 /nfs/dbraw/zinc/43/81/00/386438100.db2.gz AEEFESKLCDLIKJ-GFCCVEGCSA-N 2 0 234.347 0.637 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)C[NH3+] ZINC000417043708 386438427 /nfs/dbraw/zinc/43/84/27/386438427.db2.gz XOFMNCPSAPRLNH-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H](C)C[NH3+] ZINC000417013542 386438462 /nfs/dbraw/zinc/43/84/62/386438462.db2.gz YRSIELVFLMLFRF-GHMZBOCLSA-N 2 0 244.383 0.705 20 0 BCADRP CC[NH2+]CCNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000417013176 386439143 /nfs/dbraw/zinc/43/91/43/386439143.db2.gz YGVLXVMJAJVVBD-LLVKDONJSA-N 2 0 244.383 0.625 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CC2CCC1(C[NH3+])CC2 ZINC000519425294 386443317 /nfs/dbraw/zinc/44/33/17/386443317.db2.gz LBQXCMCJXGXEJZ-CPCZMJQVSA-N 2 0 241.379 0.160 20 0 BCADRP [NH3+][C@H]1Cc2ccccc2N(C[C@H]2CC[NH2+]C2)C1 ZINC000647992453 386448422 /nfs/dbraw/zinc/44/84/22/386448422.db2.gz AVMXZKFSTZXVGN-AAEUAGOBSA-N 2 0 231.343 0.986 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCC[NH+](CC)CC ZINC000416801301 386389534 /nfs/dbraw/zinc/38/95/34/386389534.db2.gz SCVCQXFDNFOYOL-SNVBAGLBSA-N 2 0 230.356 0.365 20 0 BCADRP CC[NH+](CC)CCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000416802356 386394597 /nfs/dbraw/zinc/39/45/97/386394597.db2.gz UJYGMZNLPVMFMS-JTQLQIEISA-N 2 0 228.340 0.071 20 0 BCADRP C[C@]1(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[NH2+]C1 ZINC000415008955 386396437 /nfs/dbraw/zinc/39/64/37/386396437.db2.gz NMCJWAOFCZLYHQ-MJBXVCDLSA-N 3 0 237.391 0.964 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000637829282 386404664 /nfs/dbraw/zinc/40/46/64/386404664.db2.gz KEYNSDKJOCDJMJ-BXKDBHETSA-N 2 0 237.347 0.620 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)NCCC[NH+]1CCCCC1 ZINC000416866064 386405531 /nfs/dbraw/zinc/40/55/31/386405531.db2.gz AHHKPRBHSMQDKH-NSHDSACASA-N 2 0 242.367 0.509 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)c1sccc1C[NH+](C)C ZINC000277098090 386407204 /nfs/dbraw/zinc/40/72/04/386407204.db2.gz STPDNAAUTCUEEG-QMMMGPOBSA-N 2 0 241.360 0.887 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCC[NH3+] ZINC000417584125 386408456 /nfs/dbraw/zinc/40/84/56/386408456.db2.gz MEQFSUNSEQHHDW-LLVKDONJSA-N 2 0 242.367 0.509 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN([C@H]2CCCNC2=O)C1 ZINC000336719580 386451751 /nfs/dbraw/zinc/45/17/51/386451751.db2.gz XYHLWLVEKLOJJZ-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1[NH3+] ZINC000414760229 386413599 /nfs/dbraw/zinc/41/35/99/386413599.db2.gz GUUMQBUJJWONIS-KKOKHZNYSA-N 3 0 211.353 0.654 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[NH3+] ZINC000417584949 386419077 /nfs/dbraw/zinc/41/90/77/386419077.db2.gz NTAXNTVVEHGLFH-SNVBAGLBSA-N 2 0 228.340 0.119 20 0 BCADRP CC[C@]1(C(=O)N2CCC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000134364754 386423568 /nfs/dbraw/zinc/42/35/68/386423568.db2.gz ZWPWTVHDIRMIJJ-ZYHUDNBSSA-N 2 0 225.336 0.468 20 0 BCADRP C[N@H+](CCNC(=O)CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000134560311 386424252 /nfs/dbraw/zinc/42/42/52/386424252.db2.gz PKPKESIPNNGPKS-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@H+](CCOCCO)CC[C@@H]1CCC[NH+]1C ZINC000336713926 386430100 /nfs/dbraw/zinc/43/01/00/386430100.db2.gz RXEPSRLZVBSJGZ-ZDUSSCGKSA-N 2 0 244.379 0.802 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000238010054 386433457 /nfs/dbraw/zinc/43/34/57/386433457.db2.gz MBJJNFKXQHNFJS-QWHCGFSZSA-N 2 0 247.342 0.945 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)C[NH3+] ZINC000417002709 386434921 /nfs/dbraw/zinc/43/49/21/386434921.db2.gz GJXDNAXWNLENFA-NXEZZACHSA-N 2 0 230.356 0.363 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000417008518 386435328 /nfs/dbraw/zinc/43/53/28/386435328.db2.gz IXGQHHWYIXPHEY-NSHDSACASA-N 2 0 242.367 0.365 20 0 BCADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)C[NH3+])C1 ZINC000417243118 386466178 /nfs/dbraw/zinc/46/61/78/386466178.db2.gz VDKPPZYOGBYYTP-GHMZBOCLSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)NCC[N@H+](C)C1CC1 ZINC000417626998 386466354 /nfs/dbraw/zinc/46/63/54/386466354.db2.gz OXNZSARHDOWBLT-SECBINFHSA-N 2 0 228.340 0.117 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000417276325 386468914 /nfs/dbraw/zinc/46/89/14/386468914.db2.gz DOLXLPBYFCKDPS-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414774745 386470462 /nfs/dbraw/zinc/47/04/62/386470462.db2.gz FWJXRFOGCQDXQF-NWDGAFQWSA-N 3 0 211.353 0.657 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000417284875 386472601 /nfs/dbraw/zinc/47/26/01/386472601.db2.gz KLBVFHNUYLTPPD-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000417284872 386474006 /nfs/dbraw/zinc/47/40/06/386474006.db2.gz KLBVFHNUYLTPPD-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000417286449 386476131 /nfs/dbraw/zinc/47/61/31/386476131.db2.gz MXKDHLFRMPPUHX-WDEREUQCSA-N 2 0 242.367 0.235 20 0 BCADRP CN(C[C@@H]1CCC[NH2+]C1)C1(C[NH3+])CCC1 ZINC000414776127 386479176 /nfs/dbraw/zinc/47/91/76/386479176.db2.gz DBYRZYKCRFISKI-LLVKDONJSA-N 2 0 211.353 0.799 20 0 BCADRP CO[C@H]1CCN(CC[NH2+]C(C)(C)C)[C@H](C[NH3+])C1 ZINC000519542786 386480287 /nfs/dbraw/zinc/48/02/87/386480287.db2.gz HZBRERIYEGVZIN-RYUDHWBXSA-N 2 0 243.395 0.813 20 0 BCADRP C[NH+](C)CC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000335428594 386484742 /nfs/dbraw/zinc/48/47/42/386484742.db2.gz IMHQHADDKMTZFO-ZDUSSCGKSA-N 2 0 247.342 0.633 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)[NH3+])C[NH+]1CCCC1 ZINC000059930750 386485979 /nfs/dbraw/zinc/48/59/79/386485979.db2.gz INXOYHCKSCBKOU-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH2+]CCCNC(=O)c1ccnc(C[NH3+])c1 ZINC000519540232 386486377 /nfs/dbraw/zinc/48/63/77/386486377.db2.gz OCCFOVVRXSMCJI-UHFFFAOYSA-N 2 0 236.319 0.270 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000335431782 386487824 /nfs/dbraw/zinc/48/78/24/386487824.db2.gz YOOCZKZIYBIYAE-STQMWFEESA-N 2 0 247.342 0.808 20 0 BCADRP C[C@@H](CNC(=O)CC[NH3+])C[NH+]1CCCC1 ZINC000059930715 386487885 /nfs/dbraw/zinc/48/78/85/386487885.db2.gz LTJVTJGAVOCFCK-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP O=C(N1CCC[NH2+]CC1)C12CCC[NH+]1CCC2 ZINC000335432855 386488897 /nfs/dbraw/zinc/48/88/97/386488897.db2.gz DIBVKASLFKERHW-UHFFFAOYSA-N 2 0 237.347 0.437 20 0 BCADRP C[N@H+](CCNC(=O)C[C@H]1CCC[NH2+]1)C1CC1 ZINC000062010159 386491553 /nfs/dbraw/zinc/49/15/53/386491553.db2.gz PGSBJKDAAWVAMU-SNVBAGLBSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000417319229 386495974 /nfs/dbraw/zinc/49/59/74/386495974.db2.gz NGJVJQFAKOBPGD-QWRGUYRKSA-N 2 0 242.367 0.330 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000417317702 386496410 /nfs/dbraw/zinc/49/64/10/386496410.db2.gz JOFULTPWQHSXHN-UWVGGRQHSA-N 2 0 230.356 0.363 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@H](C)CC[NH+](C)C ZINC000417323501 386499147 /nfs/dbraw/zinc/49/91/47/386499147.db2.gz YIFAFDMYKBMFDC-BBBLOLIVSA-N 2 0 230.356 0.362 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000417323115 386499808 /nfs/dbraw/zinc/49/98/08/386499808.db2.gz XNPDSXHMMKQUBM-UWVGGRQHSA-N 2 0 230.356 0.221 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)C[NH+]1CCCC1 ZINC000062117036 386502680 /nfs/dbraw/zinc/50/26/80/386502680.db2.gz ZUBMTSCRLSGBJY-RYUDHWBXSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000415049791 386507210 /nfs/dbraw/zinc/50/72/10/386507210.db2.gz BHPJUSNVLGHBAM-FRRDWIJNSA-N 2 0 225.380 0.903 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000414783119 386509502 /nfs/dbraw/zinc/50/95/02/386509502.db2.gz GIBRKGLPEMEOLR-UTUOFQBUSA-N 2 0 211.353 0.654 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335446419 386513031 /nfs/dbraw/zinc/51/30/31/386513031.db2.gz QFVDBZSRXXOCQJ-MNOVXSKESA-N 2 0 225.336 0.183 20 0 BCADRP Cc1c[nH]nc1CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000335447267 386513624 /nfs/dbraw/zinc/51/36/24/386513624.db2.gz BRLZPXBOKZHHPS-NXEZZACHSA-N 2 0 208.309 0.887 20 0 BCADRP [NH3+]CC1(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000335447621 386515275 /nfs/dbraw/zinc/51/52/75/386515275.db2.gz FGVNDUHRSHXJBX-QWRGUYRKSA-N 3 0 209.337 0.409 20 0 BCADRP Cc1c[nH]nc1CN(C)C1CC[NH2+]CC1 ZINC000335449135 386516683 /nfs/dbraw/zinc/51/66/83/386516683.db2.gz VROIOLDNAHPGSC-UHFFFAOYSA-N 2 0 208.309 0.902 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000519650123 386520647 /nfs/dbraw/zinc/52/06/47/386520647.db2.gz YKAQSJXMBRRTOJ-GARJFASQSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@H](COC)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414786066 386523130 /nfs/dbraw/zinc/52/31/30/386523130.db2.gz WOPSUQNUWFOQOJ-GFCCVEGCSA-N 2 0 229.368 0.296 20 0 BCADRP CC1(C)[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]2CCO[C@@H]21 ZINC000415037288 386524467 /nfs/dbraw/zinc/52/44/67/386524467.db2.gz MVAGDSPGYVONFW-URIQBSJHSA-N 2 0 222.332 0.607 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](C)CCC[NH3+] ZINC000519647746 386526503 /nfs/dbraw/zinc/52/65/03/386526503.db2.gz FXCDCEQUZJCNBG-BBBLOLIVSA-N 2 0 215.341 0.603 20 0 BCADRP CCCC[C@H](COC)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415044457 386530536 /nfs/dbraw/zinc/53/05/36/386530536.db2.gz VFJUOAZQCSINSK-WYUUTHIRSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000417134107 386453323 /nfs/dbraw/zinc/45/33/23/386453323.db2.gz IFCKSPWQCDFMBE-AXFHLTTASA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H](CNC(=O)N(C)CC[NH3+])C[NH+]1CCCC1 ZINC000417143227 386455646 /nfs/dbraw/zinc/45/56/46/386455646.db2.gz URBJPXSRKMWGAS-LLVKDONJSA-N 2 0 242.367 0.318 20 0 BCADRP C[C@@H](CNC(=O)NCCC[NH3+])C[NH+]1CCCC1 ZINC000417149565 386457538 /nfs/dbraw/zinc/45/75/38/386457538.db2.gz FPETZJGOFAQISS-NSHDSACASA-N 2 0 242.367 0.366 20 0 BCADRP C[C@@H](CNC(=O)C(C)(C)[NH3+])C[NH+]1CCCC1 ZINC000059931037 386463577 /nfs/dbraw/zinc/46/35/77/386463577.db2.gz PCJFODZNTORGRZ-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[N@H+](CCNC(=O)N1CCC[C@@H]1C[NH3+])C1CC1 ZINC000417626583 386465400 /nfs/dbraw/zinc/46/54/00/386465400.db2.gz ODLKMRPKCKPCLA-LLVKDONJSA-N 2 0 240.351 0.213 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000647779674 386585101 /nfs/dbraw/zinc/58/51/01/386585101.db2.gz FJXNCHYODVLCEG-GRYCIOLGSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000647905613 386594792 /nfs/dbraw/zinc/59/47/92/386594792.db2.gz KXRDWVQGMRVVKM-JQWIXIFHSA-N 2 0 235.331 0.554 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]C1 ZINC000062902558 386532376 /nfs/dbraw/zinc/53/23/76/386532376.db2.gz LXBXADPUNNTOBY-GWCFXTLKSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000519715759 386533334 /nfs/dbraw/zinc/53/33/34/386533334.db2.gz WXZTVBPCCGSAPD-RDFFEMEHSA-N 2 0 237.347 0.467 20 0 BCADRP CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000237087527 386536220 /nfs/dbraw/zinc/53/62/20/386536220.db2.gz PLPLJRAZLCJFBF-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP Cc1ccc(CN(C)C[C@H](O)C[NH3+])cc1F ZINC000415056836 386537152 /nfs/dbraw/zinc/53/71/52/386537152.db2.gz OSQLSMXPAWDSPN-LLVKDONJSA-N 2 0 226.295 0.886 20 0 BCADRP c1cnc(N[C@@H]2CCN(C[C@H]3CC[NH2+]C3)C2)nc1 ZINC000647995345 386538034 /nfs/dbraw/zinc/53/80/34/386538034.db2.gz QNBLHRWVDPQJLK-NWDGAFQWSA-N 2 0 247.346 0.572 20 0 BCADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCC[NH2+]1 ZINC000063123954 386539541 /nfs/dbraw/zinc/53/95/41/386539541.db2.gz LBGNXUMAOZDNET-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+]CCCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415058333 386540325 /nfs/dbraw/zinc/54/03/25/386540325.db2.gz VLMKRLAVQUIGKP-NWDGAFQWSA-N 3 0 211.353 0.799 20 0 BCADRP COCc1cccc(CN(C)C[C@H](O)C[NH3+])c1 ZINC000415060013 386542165 /nfs/dbraw/zinc/54/21/65/386542165.db2.gz SXZBQXXKBYLOPE-CYBMUJFWSA-N 2 0 238.331 0.584 20 0 BCADRP CC(C)[C@@H]([NH3+])CNCC[NH2+]C(C)(C)C ZINC000414802399 386597068 /nfs/dbraw/zinc/59/70/68/386597068.db2.gz VRIRLXABYYPELL-JTQLQIEISA-N 2 0 201.358 0.947 20 0 BCADRP O=C(N1CCC2(C1)CC[NH2+]CC2)[C@]12C[C@H]1CC[NH2+]2 ZINC000335463396 386547129 /nfs/dbraw/zinc/54/71/29/386547129.db2.gz FNWNEVNWEBALSW-RISCZKNCSA-N 2 0 249.358 0.341 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000335463230 386547435 /nfs/dbraw/zinc/54/74/35/386547435.db2.gz SDSSOTIBTMUJGR-BXKDBHETSA-N 2 0 233.315 0.337 20 0 BCADRP C[C@@H](C(=O)N1CC[NH+]2CCC1CC2)[C@H](C)[NH3+] ZINC000335463008 386548342 /nfs/dbraw/zinc/54/83/42/386548342.db2.gz JKUKJGKZCWXGEJ-ZJUUUORDSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H]1C[C@H](N(C)C(=O)C2([NH3+])CCC2)CC[N@@H+]1C ZINC000335464754 386550411 /nfs/dbraw/zinc/55/04/11/386550411.db2.gz METUWCLVXVMRKB-WDEREUQCSA-N 2 0 239.363 0.809 20 0 BCADRP C1C[NH2+][C@H]([C@H]2CCC[C@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415052505 386554224 /nfs/dbraw/zinc/55/42/24/386554224.db2.gz CYCXECXCGNGSMT-WCQYUDONSA-N 2 0 235.375 0.715 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000519776875 386554852 /nfs/dbraw/zinc/55/48/52/386554852.db2.gz YZLVDWZVHGCAFA-MNOVXSKESA-N 2 0 227.352 0.348 20 0 BCADRP C[C@@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)[NH+](C)C ZINC000332057377 386556772 /nfs/dbraw/zinc/55/67/72/386556772.db2.gz XPEUOESKNYQTDE-WDEREUQCSA-N 2 0 242.367 0.378 20 0 BCADRP OCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062033263 386560549 /nfs/dbraw/zinc/56/05/49/386560549.db2.gz SBAJEQATYLOOTH-UHFFFAOYSA-N 2 0 212.337 0.787 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000335405117 386562858 /nfs/dbraw/zinc/56/28/58/386562858.db2.gz ALUFAYFZLYWKFZ-JTQLQIEISA-N 2 0 230.271 0.508 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCCC[NH2+]C ZINC000519827205 386565025 /nfs/dbraw/zinc/56/50/25/386565025.db2.gz RYERZCLOSGFSJZ-VIFPVBQESA-N 2 0 201.314 0.100 20 0 BCADRP [NH3+][C@H](C(=O)N1CCC2(CC[NH2+]2)CC1)C1CCC1 ZINC000335406318 386566646 /nfs/dbraw/zinc/56/66/46/386566646.db2.gz KLUMQSZEJGLQTC-NSHDSACASA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+]C[C@H](N[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000415073819 386570589 /nfs/dbraw/zinc/57/05/89/386570589.db2.gz ZTYLVGMZTOTNTP-RYUDHWBXSA-N 2 0 211.353 0.846 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000335409908 386572251 /nfs/dbraw/zinc/57/22/51/386572251.db2.gz QXTONCVAHVEWNB-RYUDHWBXSA-N 2 0 237.347 0.245 20 0 BCADRP [NH3+]C[C@@H](N[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000415073820 386572720 /nfs/dbraw/zinc/57/27/20/386572720.db2.gz ZTYLVGMZTOTNTP-VXGBXAGGSA-N 2 0 211.353 0.846 20 0 BCADRP CC(C)C[C@@H]([NH3+])CNC[C@@H]([NH3+])C(C)C ZINC000414795105 386573511 /nfs/dbraw/zinc/57/35/11/386573511.db2.gz MMKAHDWCGQIHJE-GHMZBOCLSA-N 2 0 201.358 0.933 20 0 BCADRP C[C@@]1(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)CC[NH2+]C1 ZINC000415110817 386620095 /nfs/dbraw/zinc/62/00/95/386620095.db2.gz QRZMBXQULDXMLT-GXFFZTMASA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647906586 386636135 /nfs/dbraw/zinc/63/61/35/386636135.db2.gz HDELQMUNJXJOMH-CMPLNLGQSA-N 2 0 235.331 0.554 20 0 BCADRP C[C@H](O)[C@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000415143400 386638692 /nfs/dbraw/zinc/63/86/92/386638692.db2.gz SMZHTHSANMEWOX-YVECIDJPSA-N 2 0 242.363 0.456 20 0 BCADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC000337195608 386645087 /nfs/dbraw/zinc/64/50/87/386645087.db2.gz WAVDAKLQGCRPRO-QWHCGFSZSA-N 2 0 244.379 0.800 20 0 BCADRP CC[C@H]1C[N@H+](Cc2ccn(C)c(=O)c2)CC[C@@H]1[NH3+] ZINC000647937768 386646877 /nfs/dbraw/zinc/64/68/77/386646877.db2.gz ATDXIXUVMQHJAT-STQMWFEESA-N 2 0 249.358 0.945 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000178841638 386603853 /nfs/dbraw/zinc/60/38/53/386603853.db2.gz SQCDSBAJOWZSMM-SNVBAGLBSA-N 2 0 239.363 0.572 20 0 BCADRP O=C1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000415096288 386614636 /nfs/dbraw/zinc/61/46/36/386614636.db2.gz AWKBVPKGDLWKKS-MNOVXSKESA-N 2 0 237.347 0.339 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000120389908 386660544 /nfs/dbraw/zinc/66/05/44/386660544.db2.gz SNNPCNWXTNOSLU-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[NH2+]C1)[C@@H]([NH3+])c1ccccc1 ZINC000246569504 386665431 /nfs/dbraw/zinc/66/54/31/386665431.db2.gz BLYYWDKBJQXLNE-WCFLWFBJSA-N 2 0 247.342 0.801 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000336421269 386668223 /nfs/dbraw/zinc/66/82/23/386668223.db2.gz KYEUECPANOFLEQ-NSHDSACASA-N 2 0 227.352 0.491 20 0 BCADRP C[C@H](N[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000414822156 386671853 /nfs/dbraw/zinc/67/18/53/386671853.db2.gz MRENSVCVAWEWBS-SDDRHHMPSA-N 2 0 211.353 0.716 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000638506513 386710162 /nfs/dbraw/zinc/71/01/62/386710162.db2.gz WFIFVGDZEQUIJH-DMDPSCGWSA-N 2 0 249.358 0.387 20 0 BCADRP C[C@@]1(C[NH2+]CC2(C)CC[NH2+]CC2)CC[NH2+]C1 ZINC000520582113 386700251 /nfs/dbraw/zinc/70/02/51/386700251.db2.gz ORNGJULRTSSLOW-CYBMUJFWSA-N 3 0 225.380 0.965 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](CC)C[C@@H]1C ZINC000520603942 386705751 /nfs/dbraw/zinc/70/57/51/386705751.db2.gz GNZWLADTFFQOPX-QWHCGFSZSA-N 2 0 243.395 0.325 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000335481297 386707102 /nfs/dbraw/zinc/70/71/02/386707102.db2.gz VHOXLUUJEWKLLH-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000526945703 386707067 /nfs/dbraw/zinc/70/70/67/386707067.db2.gz VAOJNFNAJPYHDO-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP C([NH2+]C[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000414837204 386735879 /nfs/dbraw/zinc/73/58/79/386735879.db2.gz VSKYECSSWFMLPS-GFCCVEGCSA-N 3 0 211.353 0.575 20 0 BCADRP CCN1C[C@H]([NH2+][C@H](C)CCC[NH3+])CC1=O ZINC000391504825 386736261 /nfs/dbraw/zinc/73/62/61/386736261.db2.gz LEMVFTBEKBLXEK-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+][C@H](CN[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000414840398 386739673 /nfs/dbraw/zinc/73/96/73/386739673.db2.gz XABGVIGUEMSMKL-NWDGAFQWSA-N 2 0 205.305 0.638 20 0 BCADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000335485677 386713930 /nfs/dbraw/zinc/71/39/30/386713930.db2.gz GPGBQQXKLPUYTC-SKDRFNHKSA-N 2 0 233.315 0.798 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000357085245 386714712 /nfs/dbraw/zinc/71/47/12/386714712.db2.gz QSDOPTAHTJIPEU-CYBMUJFWSA-N 2 0 242.363 0.854 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@H](C)CC[NH2+]2)C1 ZINC000417781978 386716129 /nfs/dbraw/zinc/71/61/29/386716129.db2.gz LCARAVPIYXMXRT-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645104602 386722698 /nfs/dbraw/zinc/72/26/98/386722698.db2.gz PGJLOCFBDBAIJB-QJPTWQEYSA-N 2 0 237.347 0.339 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH2+]C)C1 ZINC000357240156 386746095 /nfs/dbraw/zinc/74/60/95/386746095.db2.gz JRCCGHIGTJPZNA-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](C)C[NH3+])C1 ZINC000357235395 386746273 /nfs/dbraw/zinc/74/62/73/386746273.db2.gz BWHWCRDIDMZMCG-VXGBXAGGSA-N 2 0 241.379 0.772 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334146696 386746888 /nfs/dbraw/zinc/74/68/88/386746888.db2.gz CKNOLKRYKWPDRH-MWLCHTKSSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@]1(C(=O)NC[C@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000335539912 386748004 /nfs/dbraw/zinc/74/80/04/386748004.db2.gz ZJOYGBQATZGYRJ-PWSUYJOCSA-N 2 0 225.336 0.244 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000357254748 386749448 /nfs/dbraw/zinc/74/94/48/386749448.db2.gz ZABQYUGOZYKKQU-QWHCGFSZSA-N 2 0 247.342 0.727 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000366531523 386752077 /nfs/dbraw/zinc/75/20/77/386752077.db2.gz RSHHFTRIHQNWOF-NOOOWODRSA-N 2 0 237.347 0.324 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000357302123 386752882 /nfs/dbraw/zinc/75/28/82/386752882.db2.gz PSFIRIYGJSIHLQ-ZRUFSTJUSA-N 2 0 227.352 0.617 20 0 BCADRP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425941436 386753078 /nfs/dbraw/zinc/75/30/78/386753078.db2.gz ZLNBGDCTEIINRN-NEPJUHHUSA-N 2 0 239.367 0.844 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000366534398 386760975 /nfs/dbraw/zinc/76/09/75/386760975.db2.gz ULRCISZYMVWNDF-QNWHQSFQSA-N 2 0 245.326 0.329 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000357348659 386763360 /nfs/dbraw/zinc/76/33/60/386763360.db2.gz RFWCKDHJKZSUEW-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357350814 386764633 /nfs/dbraw/zinc/76/46/33/386764633.db2.gz JKBQNOPUKQIWFI-NSHDSACASA-N 2 0 241.379 0.949 20 0 BCADRP C[C@@H](NC(=O)[C@@H](C)C[NH3+])C(C)(C)C[NH+](C)C ZINC000357222684 386741673 /nfs/dbraw/zinc/74/16/73/386741673.db2.gz HQHSUXLTGYSKNS-VHSXEESVSA-N 2 0 229.368 0.674 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000417828627 386790124 /nfs/dbraw/zinc/79/01/24/386790124.db2.gz FQWAZZHIRCIPBR-LDYMZIIASA-N 2 0 225.336 0.323 20 0 BCADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)CC[NH2+]C ZINC000417828445 386790744 /nfs/dbraw/zinc/79/07/44/386790744.db2.gz HHZCOTDSBNLHLO-CYBMUJFWSA-N 2 0 249.358 0.975 20 0 BCADRP CN1CC[C@](O)(C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000417988432 386791933 /nfs/dbraw/zinc/79/19/33/386791933.db2.gz KAKLDTLEXIYHHT-JQWIXIFHSA-N 2 0 228.336 0.210 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N(C)CC[NH3+] ZINC000417833973 386792735 /nfs/dbraw/zinc/79/27/35/386792735.db2.gz JUSVBOSCXUIEMB-LLVKDONJSA-N 2 0 221.304 0.412 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000417833381 386794467 /nfs/dbraw/zinc/79/44/67/386794467.db2.gz JHSQUOKSVXRWRJ-HBNTYKKESA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000417833379 386794489 /nfs/dbraw/zinc/79/44/89/386794489.db2.gz JHSQUOKSVXRWRJ-AXFHLTTASA-N 2 0 241.379 0.994 20 0 BCADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)C[NH2+]C ZINC000417838591 386795421 /nfs/dbraw/zinc/79/54/21/386795421.db2.gz QPNDVNFOMBDSJH-GFCCVEGCSA-N 2 0 235.331 0.584 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CC2(CC(N)=O)CC2)CC[N@@H+]1C ZINC000639273652 386776429 /nfs/dbraw/zinc/77/64/29/386776429.db2.gz TVBQVJPHHOHAPT-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000417813587 386780300 /nfs/dbraw/zinc/78/03/00/386780300.db2.gz MPBADBWGOFQNGQ-IVZWLZJFSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417813387 386780446 /nfs/dbraw/zinc/78/04/46/386780446.db2.gz GLBSCBRAQIIAPR-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000417813585 386781434 /nfs/dbraw/zinc/78/14/34/386781434.db2.gz MPBADBWGOFQNGQ-AEJSXWLSSA-N 2 0 213.325 0.086 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)N(C)CC[NH3+] ZINC000417811821 386781707 /nfs/dbraw/zinc/78/17/07/386781707.db2.gz KFUJXWOAFPSJSH-UHFFFAOYSA-N 2 0 230.356 0.318 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000417825310 386784825 /nfs/dbraw/zinc/78/48/25/386784825.db2.gz AXXSSNNQFCRLQZ-JKOKRWQUSA-N 2 0 247.342 0.809 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000417824982 386784951 /nfs/dbraw/zinc/78/49/51/386784951.db2.gz ATIDGTHSHAOJSO-FIQHERPVSA-N 2 0 239.363 0.842 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@H]1C[NH3+] ZINC000417827145 386785195 /nfs/dbraw/zinc/78/51/95/386785195.db2.gz CVAPQGDUEUNYCU-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417828459 386789227 /nfs/dbraw/zinc/78/92/27/386789227.db2.gz HLNRXGFYFHHDGX-QWHCGFSZSA-N 2 0 247.342 0.468 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCC[NH2+]C1 ZINC000414935770 386817209 /nfs/dbraw/zinc/81/72/09/386817209.db2.gz UQOUWXNSYUPDGJ-WOPDTQHZSA-N 2 0 211.353 0.574 20 0 BCADRP CO[C@@H](C)C[N@H+](CCOCC[NH3+])C(C)C ZINC000336671675 386818073 /nfs/dbraw/zinc/81/80/73/386818073.db2.gz GCKOQJUCCAEFSD-NSHDSACASA-N 2 0 218.341 0.707 20 0 BCADRP C[C@H]1[C@H](NC(=O)NCCCC[NH3+])CCC[N@@H+]1C ZINC000418001885 386820718 /nfs/dbraw/zinc/82/07/18/386820718.db2.gz LHSVKJZYNUJREQ-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)C1([NH3+])CC1 ZINC000417843853 386800012 /nfs/dbraw/zinc/80/00/12/386800012.db2.gz VVXXVDIWUIHASB-GFCCVEGCSA-N 2 0 247.342 0.856 20 0 BCADRP CN(CC[NH3+])C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000417843033 386800207 /nfs/dbraw/zinc/80/02/07/386800207.db2.gz QCZQEHZWZXUGHV-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP CN(C(=O)C[C@H]1CCC[NH2+]1)[C@@H](C[NH3+])C1CC1 ZINC000417845070 386800584 /nfs/dbraw/zinc/80/05/84/386800584.db2.gz RRPHBOAEZGKCNU-MNOVXSKESA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000417853330 386802297 /nfs/dbraw/zinc/80/22/97/386802297.db2.gz OVTQZVNOWXCZIB-UTLUCORTSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@@H](C(=O)N(CC)CC[NH3+])[NH+](CC)CC ZINC000638517264 386804158 /nfs/dbraw/zinc/80/41/58/386804158.db2.gz PYTWMIDBAVYARY-NSHDSACASA-N 2 0 229.368 0.914 20 0 BCADRP C[C@H]1[C@H](NC(=O)N(C)C2C[NH2+]C2)CCC[N@@H+]1C ZINC000417997357 386805280 /nfs/dbraw/zinc/80/52/80/386805280.db2.gz FTOXZAYBIPPEPS-GXSJLCMTSA-N 2 0 240.351 0.082 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000417996242 386805343 /nfs/dbraw/zinc/80/53/43/386805343.db2.gz DRMRMYSUFVAWLO-QWRGUYRKSA-N 2 0 242.367 0.378 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CC)CC[NH3+] ZINC000638517354 386806156 /nfs/dbraw/zinc/80/61/56/386806156.db2.gz SEJSNAXKTGYSBU-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]CCNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000417857001 386806072 /nfs/dbraw/zinc/80/60/72/386806072.db2.gz NOEKMZYIMGUQQZ-NXEZZACHSA-N 2 0 240.351 0.130 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000417849396 386807497 /nfs/dbraw/zinc/80/74/97/386807497.db2.gz WLENFZPVQWVARF-ZJUUUORDSA-N 2 0 229.368 0.864 20 0 BCADRP C[C@@H]1CN(C(=O)C[NH2+]CC2CC2)C[C@@]1(C)C[NH3+] ZINC000417850012 386807727 /nfs/dbraw/zinc/80/77/27/386807727.db2.gz WZFVRBBGVDWREZ-ZWNOBZJWSA-N 2 0 239.363 0.429 20 0 BCADRP C[NH2+]CCNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000417850179 386807833 /nfs/dbraw/zinc/80/78/33/386807833.db2.gz MDGFOECJMLIBKP-WDEREUQCSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000417848605 386808648 /nfs/dbraw/zinc/80/86/48/386808648.db2.gz VQJXOUWRHLUANE-WZRBSPASSA-N 2 0 239.363 0.429 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044538781 386832850 /nfs/dbraw/zinc/83/28/50/386832850.db2.gz JJNCQGUDLDTSQA-GHMZBOCLSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCCC[NH+]1CCCC1 ZINC000395073611 386844274 /nfs/dbraw/zinc/84/42/74/386844274.db2.gz NISRXYYQKZQVSK-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)NCCC[NH3+])CCC[N@@H+]1C ZINC000418004224 386848227 /nfs/dbraw/zinc/84/82/27/386848227.db2.gz NXLOJYNCPFRLIR-ZJUUUORDSA-N 2 0 228.340 0.117 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336675165 386854666 /nfs/dbraw/zinc/85/46/66/386854666.db2.gz VCTLBEMMRIHCDT-WDEREUQCSA-N 2 0 226.320 0.481 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000418005064 386855184 /nfs/dbraw/zinc/85/51/84/386855184.db2.gz OYYAFTFSVZBKEY-VWYCJHECSA-N 2 0 242.367 0.506 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CCC[NH2+]1 ZINC000331487661 386861115 /nfs/dbraw/zinc/86/11/15/386861115.db2.gz QRBDVYIRBHJQCN-QJPTWQEYSA-N 2 0 211.353 0.988 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H](C)C[NH+](C)C)[NH+](C)C ZINC000341255086 386867456 /nfs/dbraw/zinc/86/74/56/386867456.db2.gz GTPPDMSJMVXDFG-NWDGAFQWSA-N 2 0 243.395 0.887 20 0 BCADRP C[NH+](C)C1(CNC(=O)N[C@H]2CC[NH2+]C2)CCC1 ZINC000331596489 386874062 /nfs/dbraw/zinc/87/40/62/386874062.db2.gz NKRJBRDJNKLPMO-JTQLQIEISA-N 2 0 240.351 0.132 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000334839617 386881892 /nfs/dbraw/zinc/88/18/92/386881892.db2.gz NLVFJQSAWCSDQC-QQFIATSDSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)[C@H]2CCOC2)CC[N@@H+]1C ZINC000358049303 386885310 /nfs/dbraw/zinc/88/53/10/386885310.db2.gz QSRITLQOLPTHGK-YVECIDJPSA-N 2 0 242.363 0.456 20 0 BCADRP [NH3+]CCCN1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000334860424 386913765 /nfs/dbraw/zinc/91/37/65/386913765.db2.gz SJAQZVMVNQXODF-UWVGGRQHSA-N 2 0 211.309 0.078 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000336739781 386899162 /nfs/dbraw/zinc/89/91/62/386899162.db2.gz LSAKFAQYUPCAPF-YIZRAAEISA-N 2 0 231.365 0.015 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(C)C(=O)C2)CC[NH2+]1 ZINC000334852867 386902740 /nfs/dbraw/zinc/90/27/40/386902740.db2.gz BKJNDGJXJNLGIV-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP Cc1nccn1CC[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000334853549 386903968 /nfs/dbraw/zinc/90/39/68/386903968.db2.gz XNVPNDZLQZUNPL-LLVKDONJSA-N 2 0 221.304 0.648 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335763516 386904133 /nfs/dbraw/zinc/90/41/33/386904133.db2.gz MIOHQRCUTRLDRZ-WCQYABFASA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H](NC[C@H]([NH3+])C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000331783873 386904731 /nfs/dbraw/zinc/90/47/31/386904731.db2.gz BGXZBVRMJDLEMP-DLOVCJGASA-N 2 0 211.353 0.844 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)CCC[N@@H+]1C ZINC000418013791 386921937 /nfs/dbraw/zinc/92/19/37/386921937.db2.gz ZQPVRIPNUXOEKC-VWYCJHECSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC000367992793 386926212 /nfs/dbraw/zinc/92/62/12/386926212.db2.gz FTYSWMGTGZFMSW-DDHJBXDOSA-N 2 0 239.363 0.631 20 0 BCADRP c1ccc2c(c1)CC[NH2+][C@@H]2CN[C@@H]1CC[NH2+]C1 ZINC000334818496 386947650 /nfs/dbraw/zinc/94/76/50/386947650.db2.gz JOTZQHALVRXGOP-TZMCWYRMSA-N 2 0 231.343 0.825 20 0 BCADRP C[C@@H]1C[C@H](C[N@H+](C)C2CC(O)C2)CC[NH2+]1 ZINC000334871701 386932777 /nfs/dbraw/zinc/93/27/77/386932777.db2.gz ZPOJTERPCMMQRE-QYNFOATHSA-N 2 0 212.337 0.830 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000335833853 386935027 /nfs/dbraw/zinc/93/50/27/386935027.db2.gz WZFHLIPZGIILTB-NEPJUHHUSA-N 2 0 239.363 0.491 20 0 BCADRP C([NH2+][C@H]1CCCSC1)[C@H]1C[NH2+]CCCO1 ZINC000334873978 386935596 /nfs/dbraw/zinc/93/55/96/386935596.db2.gz MFEYPMOCYDHOFW-WDEREUQCSA-N 2 0 230.377 0.850 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000368124987 386943849 /nfs/dbraw/zinc/94/38/49/386943849.db2.gz JNVDADZISCSPGR-DCAQKATOSA-N 2 0 225.336 0.180 20 0 BCADRP c1ccc2c(c1)CC[NH2+][C@H]2CN[C@@H]1CC[NH2+]C1 ZINC000334818495 386948138 /nfs/dbraw/zinc/94/81/38/386948138.db2.gz JOTZQHALVRXGOP-OCCSQVGLSA-N 2 0 231.343 0.825 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368368733 386966589 /nfs/dbraw/zinc/96/65/89/386966589.db2.gz DLBWGNHRGOIJTB-MMWGEVLESA-N 2 0 225.336 0.180 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368376037 386967197 /nfs/dbraw/zinc/96/71/97/386967197.db2.gz KRDDRDOQABHHQG-HOSYDEDBSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000368451896 386973242 /nfs/dbraw/zinc/97/32/42/386973242.db2.gz VVCWVGDGKQDSRZ-HOSYDEDBSA-N 2 0 243.326 0.416 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N(C)CC[NH+](C)C ZINC000358527264 386974668 /nfs/dbraw/zinc/97/46/68/386974668.db2.gz YXCUVYVXSKWPMR-JTQLQIEISA-N 2 0 230.356 0.140 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000368460204 386976199 /nfs/dbraw/zinc/97/61/99/386976199.db2.gz AIPVTHAKRNFLCR-DCAQKATOSA-N 2 0 239.363 0.713 20 0 BCADRP CCC[NH+]1CCC(CNC(=O)NCC[NH3+])CC1 ZINC000417395597 386981545 /nfs/dbraw/zinc/98/15/45/386981545.db2.gz UWTZYTBTOHAKIP-UHFFFAOYSA-N 2 0 242.367 0.366 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000332605497 386993043 /nfs/dbraw/zinc/99/30/43/386993043.db2.gz BVNPOAZCHOSTBO-FIQHERPVSA-N 2 0 239.363 0.569 20 0 BCADRP CC[C@]1(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000332615113 386996113 /nfs/dbraw/zinc/99/61/13/386996113.db2.gz DZUAMZHRRBMIQQ-HOSYDEDBSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)CC[NH2+]1 ZINC000643426049 386996347 /nfs/dbraw/zinc/99/63/47/386996347.db2.gz VSZLHKBIHQXMIA-VXGBXAGGSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000334930447 387006890 /nfs/dbraw/zinc/00/68/90/387006890.db2.gz MSIMXBFFBZUIPW-MNOVXSKESA-N 2 0 240.351 0.084 20 0 BCADRP Cc1cnccc1NC(=O)N(C)C1C[NH2+]C1 ZINC000334821219 386950727 /nfs/dbraw/zinc/95/07/27/386950727.db2.gz JTHFYCLNIBOYSA-UHFFFAOYSA-N 2 0 220.276 0.247 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC[C@H]([NH3+])C2CC2)CC[N@@H+]1C ZINC000648106105 387031273 /nfs/dbraw/zinc/03/12/73/387031273.db2.gz ALKTVIIHNDQEIJ-IEBDPFPHSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000334955434 387033646 /nfs/dbraw/zinc/03/36/46/387033646.db2.gz HKKKUMSLGKGDEF-WDEREUQCSA-N 2 0 242.367 0.317 20 0 BCADRP [NH3+][C@@H](C(=O)NCC[NH+]1CCCCC1)C1CCC1 ZINC000399007858 387035823 /nfs/dbraw/zinc/03/58/23/387035823.db2.gz ANIBOUNFTSGIAQ-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP CN(CC[NH3+])C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000334960063 387039645 /nfs/dbraw/zinc/03/96/45/387039645.db2.gz DTNMXUHREGSDFR-ZYANWLCNSA-N 2 0 239.363 0.557 20 0 BCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000334960702 387041462 /nfs/dbraw/zinc/04/14/62/387041462.db2.gz XFGGIWQHQNKIED-NWDGAFQWSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]([NH3+])CCC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000648106825 387041872 /nfs/dbraw/zinc/04/18/72/387041872.db2.gz ZZGCWBXFLQHFQO-VIFPVBQESA-N 2 0 248.330 0.793 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)C1CCCC1 ZINC000333672927 387049273 /nfs/dbraw/zinc/04/92/73/387049273.db2.gz YNBOEOWEAQUYNT-RYUDHWBXSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC[N@@H+]1C ZINC000648108008 387051731 /nfs/dbraw/zinc/05/17/31/387051731.db2.gz LGPUMLHALRWNFM-NNYUYHANSA-N 2 0 239.363 0.535 20 0 BCADRP CC(C)N1CCC[C@H](N(C)C2CC([NH3+])C2)C1=O ZINC000334969251 387052390 /nfs/dbraw/zinc/05/23/90/387052390.db2.gz AZKIDNOYWBYIPQ-MCIGGMRASA-N 2 0 239.363 0.807 20 0 BCADRP COCC[C@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313388942 387053120 /nfs/dbraw/zinc/05/31/20/387053120.db2.gz LWLHCIULHGENBD-WDEREUQCSA-N 2 0 216.325 0.461 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333815483 387058875 /nfs/dbraw/zinc/05/88/75/387058875.db2.gz JZXKECGHFYMHIY-WDEREUQCSA-N 2 0 240.351 0.261 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070252050 387060967 /nfs/dbraw/zinc/06/09/67/387060967.db2.gz YNQDBJHZYOQRFJ-NSHDSACASA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H]1OCC[C@]1(O)C[NH2+]C1CCN(C)CC1 ZINC000228058603 387064042 /nfs/dbraw/zinc/06/40/42/387064042.db2.gz HKHRDHDGUACDAV-PWSUYJOCSA-N 2 0 228.336 0.210 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000070315877 387064842 /nfs/dbraw/zinc/06/48/42/387064842.db2.gz QOIACBXZICIWOV-SNVBAGLBSA-N 2 0 239.363 0.857 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000334934643 387010256 /nfs/dbraw/zinc/01/02/56/387010256.db2.gz XIUXAHOGGKUNFW-MNOVXSKESA-N 2 0 240.351 0.132 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000334934369 387010503 /nfs/dbraw/zinc/01/05/03/387010503.db2.gz APCOAERMMSLTSL-GHMZBOCLSA-N 2 0 240.351 0.084 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)N1CCC[NH2+]CC1 ZINC000334939736 387016298 /nfs/dbraw/zinc/01/62/98/387016298.db2.gz FFYFLNDCGPKFJP-MNOVXSKESA-N 2 0 240.351 0.119 20 0 BCADRP C[C@@H]([NH2+]CCC(N)=O)C1=CC[N@H+](C)CC1 ZINC000519144222 387019664 /nfs/dbraw/zinc/01/96/64/387019664.db2.gz SYSLBKCUCTXKCP-SECBINFHSA-N 2 0 211.309 0.102 20 0 BCADRP C[C@H](CNC(=O)CC[C@H](C)[NH3+])C[NH+]1CCCC1 ZINC000070318026 387066000 /nfs/dbraw/zinc/06/60/00/387066000.db2.gz FVAZWIWUWMKIBP-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000334943946 387021805 /nfs/dbraw/zinc/02/18/05/387021805.db2.gz LBBYHOALALUNBF-SECBINFHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000070318028 387066069 /nfs/dbraw/zinc/06/60/69/387066069.db2.gz FVAZWIWUWMKIBP-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000333296320 387024599 /nfs/dbraw/zinc/02/45/99/387024599.db2.gz PKSSICGZWHCOKN-UMNHJUIQSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000333296319 387025302 /nfs/dbraw/zinc/02/53/02/387025302.db2.gz PKSSICGZWHCOKN-NHCYSSNCSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000333282459 387025584 /nfs/dbraw/zinc/02/55/84/387025584.db2.gz MRVIPYMXZGTSPO-IJLUTSLNSA-N 2 0 211.353 0.846 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000333282466 387025618 /nfs/dbraw/zinc/02/56/18/387025618.db2.gz MRVIPYMXZGTSPO-UTUOFQBUSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648105651 387025722 /nfs/dbraw/zinc/02/57/22/387025722.db2.gz PAUZPEHVNUMZHC-DDHJBXDOSA-N 2 0 239.363 0.522 20 0 BCADRP COC[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000359224904 387069082 /nfs/dbraw/zinc/06/90/82/387069082.db2.gz TZLWYMMYTHKKOX-CYBMUJFWSA-N 2 0 242.363 0.723 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H](C)C[NH2+]C ZINC000359218835 387070011 /nfs/dbraw/zinc/07/00/11/387070011.db2.gz PGUPPQWZZUTMIE-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H](CO)C[N@@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000639766763 387070208 /nfs/dbraw/zinc/07/02/08/387070208.db2.gz OROGFPDSAAVXBO-NWDGAFQWSA-N 2 0 230.352 0.003 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000369889397 387075624 /nfs/dbraw/zinc/07/56/24/387075624.db2.gz RJXISEQIIWVWTQ-SRRSOLGSSA-N 2 0 237.347 0.372 20 0 BCADRP CC[N@H+](CCNC(=O)N(C)[C@@H](C)C[NH3+])C1CC1 ZINC000417426339 387085420 /nfs/dbraw/zinc/08/54/20/387085420.db2.gz GFRCOLWADUNQQZ-JTQLQIEISA-N 2 0 242.367 0.459 20 0 BCADRP CC[N@H+](CCNC(=O)N(C)[C@H](C)C[NH3+])C1CC1 ZINC000417426341 387085572 /nfs/dbraw/zinc/08/55/72/387085572.db2.gz GFRCOLWADUNQQZ-SNVBAGLBSA-N 2 0 242.367 0.459 20 0 BCADRP C[N@H+](CCNC(=O)CCC[NH3+])C1CCCC1 ZINC000070946131 387086186 /nfs/dbraw/zinc/08/61/86/387086186.db2.gz RRLZSJMPYIFZQT-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP C[C@]1(C(=O)NCC2=CC[NH2+]CC2)CCCC[NH2+]1 ZINC000186328083 387091375 /nfs/dbraw/zinc/09/13/75/387091375.db2.gz WVYUWMONAFRJCS-CYBMUJFWSA-N 2 0 237.347 0.555 20 0 BCADRP CC[C@@H](C(=O)NCC[NH+]1CCCC1)[NH+](C)C ZINC000359416605 387098113 /nfs/dbraw/zinc/09/81/13/387098113.db2.gz HMQLDHJLGKCBBT-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000071378424 387101611 /nfs/dbraw/zinc/10/16/11/387101611.db2.gz YLRDMICILQVRAD-LBPRGKRZSA-N 2 0 239.363 0.729 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)c1ccc2c[nH+]cn2c1 ZINC000335008850 387103064 /nfs/dbraw/zinc/10/30/64/387103064.db2.gz UTWYSPCAKKFXTQ-LLVKDONJSA-N 2 0 244.298 0.816 20 0 BCADRP CO[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCOC1 ZINC000228662164 387103982 /nfs/dbraw/zinc/10/39/82/387103982.db2.gz NQTRJQNIMDKNRJ-XQQFMLRXSA-N 2 0 242.363 0.864 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000370304257 387106156 /nfs/dbraw/zinc/10/61/56/387106156.db2.gz XKWDHAUCPGLCGX-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)([NH3+])CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186506676 387107000 /nfs/dbraw/zinc/10/70/00/387107000.db2.gz HHWQUEBWVMTEFT-SNVBAGLBSA-N 2 0 239.363 0.857 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186518053 387107537 /nfs/dbraw/zinc/10/75/37/387107537.db2.gz PVGJESZBJMJURF-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP CC1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000335024312 387114513 /nfs/dbraw/zinc/11/45/13/387114513.db2.gz MDNSJYTWADKCJK-PJXYFTJBSA-N 2 0 237.347 0.052 20 0 BCADRP C[C@]1(F)C[NH2+]CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647981638 387115099 /nfs/dbraw/zinc/11/50/99/387115099.db2.gz CNFXEHLIYQTQOS-MNOVXSKESA-N 2 0 215.316 0.229 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH2+]CC1 ZINC000193395637 387117292 /nfs/dbraw/zinc/11/72/92/387117292.db2.gz OHFODIOHADNRQW-UHFFFAOYSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000336286714 387120528 /nfs/dbraw/zinc/12/05/28/387120528.db2.gz JCZBBWRZUGMKOQ-SCZZXKLOSA-N 2 0 211.309 0.029 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000186688870 387121430 /nfs/dbraw/zinc/12/14/30/387121430.db2.gz LEYNKUVMDLUJFP-JQWIXIFHSA-N 2 0 239.363 0.490 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000418361669 387127007 /nfs/dbraw/zinc/12/70/07/387127007.db2.gz ARTCPWIUJQVNGB-MNOVXSKESA-N 2 0 242.367 0.365 20 0 BCADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CC[C@H]([NH3+])C1 ZINC000335031656 387127298 /nfs/dbraw/zinc/12/72/98/387127298.db2.gz JYDFBJDWLBRKES-RYUDHWBXSA-N 2 0 239.363 0.844 20 0 BCADRP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@H+](CCOC)C1 ZINC000423299715 387128780 /nfs/dbraw/zinc/12/87/80/387128780.db2.gz QMXXUDPJXFZRCC-CHWSQXEVSA-N 2 0 243.395 0.814 20 0 BCADRP CCC[NH2+]CCN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423305964 387141433 /nfs/dbraw/zinc/14/14/33/387141433.db2.gz CWCHAOLEWFSFDN-QWHCGFSZSA-N 2 0 241.379 0.343 20 0 BCADRP CCC[NH2+]CCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423305963 387141687 /nfs/dbraw/zinc/14/16/87/387141687.db2.gz CWCHAOLEWFSFDN-OLZOCXBDSA-N 2 0 241.379 0.343 20 0 BCADRP CCC[NH2+]CCN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000423305683 387142133 /nfs/dbraw/zinc/14/21/33/387142133.db2.gz CCOPLZGMONJLBC-VXGBXAGGSA-N 2 0 213.369 0.916 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000353128683 387143856 /nfs/dbraw/zinc/14/38/56/387143856.db2.gz LLLNKIRNHSJVIW-SRVKXCTJSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000423308851 387143887 /nfs/dbraw/zinc/14/38/87/387143887.db2.gz OZOXJWDRTAPIBA-MWLCHTKSSA-N 2 0 222.336 0.982 20 0 BCADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000423308849 387144141 /nfs/dbraw/zinc/14/41/41/387144141.db2.gz OZOXJWDRTAPIBA-GXSJLCMTSA-N 2 0 222.336 0.982 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(C[NH3+])o1 ZINC000186840228 387147478 /nfs/dbraw/zinc/14/74/78/387147478.db2.gz CCDDBIFAWOIUGJ-SCZZXKLOSA-N 2 0 237.303 0.466 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000353168550 387147576 /nfs/dbraw/zinc/14/75/76/387147576.db2.gz NGUMBKUDZMBQGM-UTUOFQBUSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353391857 387192677 /nfs/dbraw/zinc/19/26/77/387192677.db2.gz DXKOAFQLPHJZEO-DDHJBXDOSA-N 2 0 239.363 0.713 20 0 BCADRP CC[C@@H](NC[C@@H]([NH3+])C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423311620 387149716 /nfs/dbraw/zinc/14/97/16/387149716.db2.gz CCUMLPVIMZLTAF-UTUOFQBUSA-N 2 0 211.353 0.844 20 0 BCADRP CCC[NH2+]CCN[C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423315289 387154824 /nfs/dbraw/zinc/15/48/24/387154824.db2.gz XFGLUKVLQYDWIJ-RYUDHWBXSA-N 2 0 229.368 0.343 20 0 BCADRP COCC[NH2+]CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423321748 387165390 /nfs/dbraw/zinc/16/53/90/387165390.db2.gz FSRKPAVHISEASH-NEPJUHHUSA-N 2 0 229.368 0.343 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH2+]C3CC3)C[C@H]21 ZINC000571873582 387183719 /nfs/dbraw/zinc/18/37/19/387183719.db2.gz UVQLPCOOCOBHIO-YUSALJHKSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000371261762 387184710 /nfs/dbraw/zinc/18/47/10/387184710.db2.gz CRMCSGUUJVWIQA-DCAQKATOSA-N 2 0 225.336 0.419 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942811 387187078 /nfs/dbraw/zinc/18/70/78/387187078.db2.gz YTHSOZORAFRGBW-NEPJUHHUSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000370661000 387132665 /nfs/dbraw/zinc/13/26/65/387132665.db2.gz ZSIJTCFBGZLGRM-IUCAKERBSA-N 2 0 248.330 0.649 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000370713562 387136707 /nfs/dbraw/zinc/13/67/07/387136707.db2.gz SIDCCXURFVPMFL-JTQLQIEISA-N 2 0 227.352 0.892 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](NCC[NH2+]CCOC)C1 ZINC000423343895 387192135 /nfs/dbraw/zinc/19/21/35/387192135.db2.gz WJPNAXWEDLZHCA-NWDGAFQWSA-N 2 0 229.368 0.152 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](NCC2([NH3+])CCC2)C1 ZINC000423343143 387192169 /nfs/dbraw/zinc/19/21/69/387192169.db2.gz ZGGVVLOOXYHLQN-WDEREUQCSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@H](C[NH3+])CN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423305006 387138981 /nfs/dbraw/zinc/13/89/81/387138981.db2.gz ZXECVMNEDAPHCW-VWYCJHECSA-N 2 0 211.353 0.796 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1CC[NH2+]CC1 ZINC000186809051 387140713 /nfs/dbraw/zinc/14/07/13/387140713.db2.gz IPNVCGLLIUXUGL-MWLCHTKSSA-N 2 0 225.336 0.100 20 0 BCADRP O=C1NCC[C@@H]1[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000336315468 387141189 /nfs/dbraw/zinc/14/11/89/387141189.db2.gz LNKBEHVOSNDYAN-NSHDSACASA-N 2 0 234.303 0.478 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336374080 387206025 /nfs/dbraw/zinc/20/60/25/387206025.db2.gz ZEUUCFWOENTPEN-CHWSQXEVSA-N 3 0 223.364 0.527 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000353464467 387208019 /nfs/dbraw/zinc/20/80/19/387208019.db2.gz XVBSOGPMTQYQJP-GHMZBOCLSA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCCC[NH+](C)C ZINC000353467057 387208207 /nfs/dbraw/zinc/20/82/07/387208207.db2.gz KOKZDDSFOOPORX-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000353463683 387208263 /nfs/dbraw/zinc/20/82/63/387208263.db2.gz WIJGZIMQAHBHHQ-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000572156760 387252762 /nfs/dbraw/zinc/25/27/62/387252762.db2.gz XIGCZZBZXSSVGF-GRYCIOLGSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423358526 387210812 /nfs/dbraw/zinc/21/08/12/387210812.db2.gz NTZPMJAXAXVQGK-TUAOUCFPSA-N 2 0 211.353 0.716 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NCCC[NH3+] ZINC000418200446 387211580 /nfs/dbraw/zinc/21/15/80/387211580.db2.gz QDVVHUWTXIGOPL-NSHDSACASA-N 2 0 244.383 0.755 20 0 BCADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCCC[NH3+] ZINC000418200444 387212766 /nfs/dbraw/zinc/21/27/66/387212766.db2.gz QDVVHUWTXIGOPL-LLVKDONJSA-N 2 0 244.383 0.755 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCCC[NH3+] ZINC000572015995 387214302 /nfs/dbraw/zinc/21/43/02/387214302.db2.gz ZORFQDQTPOVSSP-LLVKDONJSA-N 2 0 242.367 0.461 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000418194043 387215426 /nfs/dbraw/zinc/21/54/26/387215426.db2.gz DMFMXWPGOLWNPH-JTQLQIEISA-N 2 0 230.356 0.235 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000571999321 387217320 /nfs/dbraw/zinc/21/73/20/387217320.db2.gz GQIQGOLSLUPKBE-UTUOFQBUSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418203374 387218249 /nfs/dbraw/zinc/21/82/49/387218249.db2.gz KHDNNBCWRKBOHK-OUAUKWLOSA-N 2 0 242.367 0.234 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)N[C@@H](C)C[NH+](C)C ZINC000418209678 387221594 /nfs/dbraw/zinc/22/15/94/387221594.db2.gz RXQZGLFVLVFCMD-QWRGUYRKSA-N 2 0 244.383 0.753 20 0 BCADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)C[NH3+] ZINC000418210280 387222545 /nfs/dbraw/zinc/22/25/45/387222545.db2.gz XLMGEEZJSWRGGU-QWRGUYRKSA-N 2 0 244.383 0.753 20 0 BCADRP C[NH2+]CC1CC[NH+](CCCS(C)(=O)=O)CC1 ZINC000063015289 387229881 /nfs/dbraw/zinc/22/98/81/387229881.db2.gz BIKCIGPVMOOYIT-UHFFFAOYSA-N 2 0 248.392 0.353 20 0 BCADRP CC[NH2+][C@H](C)CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423399504 387233709 /nfs/dbraw/zinc/23/37/09/387233709.db2.gz WHJOXRMGOQRFGA-KGYLQXTDSA-N 2 0 241.379 0.341 20 0 BCADRP C[NH+](C)C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000572102397 387234539 /nfs/dbraw/zinc/23/45/39/387234539.db2.gz QMIVHCNECGVNCI-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP CC[NH2+][C@H](C)CN[C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423403739 387240966 /nfs/dbraw/zinc/24/09/66/387240966.db2.gz ZLKMWRIXPDOICO-UTUOFQBUSA-N 2 0 229.368 0.341 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000423406847 387243442 /nfs/dbraw/zinc/24/34/42/387243442.db2.gz VEBNLCBNETVXPI-WUHRBBMRSA-N 2 0 225.380 0.914 20 0 BCADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423410903 387245108 /nfs/dbraw/zinc/24/51/08/387245108.db2.gz ARAAPPVANLOZFR-OPDFLTKYSA-N 2 0 249.358 0.434 20 0 BCADRP COC[C@]1(C[NH2+][C@@H](C)CCCC[NH3+])CCC[NH2+]1 ZINC000423412582 387246989 /nfs/dbraw/zinc/24/69/89/387246989.db2.gz IAZBOLVDMFEBHB-QWHCGFSZSA-N 3 0 243.395 0.862 20 0 BCADRP COC[C@@]1(CN[C@@H](C)[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000423417508 387249273 /nfs/dbraw/zinc/24/92/73/387249273.db2.gz SLWBUMZFOKQTSH-XQQFMLRXSA-N 2 0 241.379 0.485 20 0 BCADRP COC[C@]1(CN[C@@H]2CCC[C@@H]2C[NH3+])CCC[NH2+]1 ZINC000423416540 387249305 /nfs/dbraw/zinc/24/93/05/387249305.db2.gz QXMJNIFWMPFBLX-JHJVBQTASA-N 2 0 241.379 0.472 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)C[N@@H+]1C1CC1 ZINC000423419714 387249459 /nfs/dbraw/zinc/24/94/59/387249459.db2.gz AMHVNOFOUKLEGO-BIAAXOCRSA-N 2 0 249.358 0.480 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423423767 387250154 /nfs/dbraw/zinc/25/01/54/387250154.db2.gz FDPRGHHYEZFOEX-WSLQDRLSSA-N 2 0 221.348 0.277 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000336421268 387252186 /nfs/dbraw/zinc/25/21/86/387252186.db2.gz KYEUECPANOFLEQ-LLVKDONJSA-N 2 0 227.352 0.491 20 0 BCADRP COCC[NH2+]CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423345079 387195461 /nfs/dbraw/zinc/19/54/61/387195461.db2.gz XKYZMTFNAYMZSC-NWDGAFQWSA-N 2 0 229.368 0.330 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000423348330 387201369 /nfs/dbraw/zinc/20/13/69/387201369.db2.gz SZHDHBOLPHXHHA-UPJWGTAASA-N 2 0 225.380 0.964 20 0 BCADRP CC[N@H+]1C[C@H](N[C@@H]2C[NH2+]CCC2(F)F)[C@@H](C)C1 ZINC000423467330 387315128 /nfs/dbraw/zinc/31/51/28/387315128.db2.gz DQICVUHWZGEZHE-GARJFASQSA-N 2 0 247.333 0.913 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000423467331 387315207 /nfs/dbraw/zinc/31/52/07/387315207.db2.gz DQICVUHWZGEZHE-HBNTYKKESA-N 2 0 247.333 0.913 20 0 BCADRP Cn1cc(C[NH2+]C2CCC([NH+](C)C)CC2)nn1 ZINC000353671929 387254930 /nfs/dbraw/zinc/25/49/30/387254930.db2.gz MQENQAHBAPWWNF-UHFFFAOYSA-N 2 0 237.351 0.778 20 0 BCADRP C[C@@H](CNC(=O)c1c[nH+]ccc1N)[N@H+](C)C1CC1 ZINC000188166902 387256685 /nfs/dbraw/zinc/25/66/85/387256685.db2.gz RZNKXWHRCZUNTB-VIFPVBQESA-N 2 0 248.330 0.876 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000423378693 387258998 /nfs/dbraw/zinc/25/89/98/387258998.db2.gz MPMAIXKTOGJIHO-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423378773 387260042 /nfs/dbraw/zinc/26/00/42/387260042.db2.gz ZVFUBLCUTNALFJ-TUAOUCFPSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423379218 387260602 /nfs/dbraw/zinc/26/06/02/387260602.db2.gz MQOIIVXBHODTLL-QCNOEVLYSA-N 2 0 211.353 0.667 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000648119979 387262337 /nfs/dbraw/zinc/26/23/37/387262337.db2.gz HYPOGRBTDRMZEI-VWYCJHECSA-N 2 0 227.352 0.618 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000520825063 387274723 /nfs/dbraw/zinc/27/47/23/387274723.db2.gz UGKIEHJAGHJDMC-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP CC[NH2+]CCCN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000643498949 387276947 /nfs/dbraw/zinc/27/69/47/387276947.db2.gz ZSCLVFMNUXPRJV-RYUDHWBXSA-N 2 0 213.369 0.916 20 0 BCADRP CC[NH2+][C@H](C)CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000423394209 387278404 /nfs/dbraw/zinc/27/84/04/387278404.db2.gz ROLDASGNJPYMMW-UTUOFQBUSA-N 2 0 213.369 0.962 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CCC(C)([NH3+])CC1 ZINC000648120965 387283064 /nfs/dbraw/zinc/28/30/64/387283064.db2.gz ZEKHJFVUCVSGKG-UHFFFAOYSA-N 2 0 227.352 0.844 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000423433220 387284009 /nfs/dbraw/zinc/28/40/09/387284009.db2.gz NCPKVIXYANOAAO-LLVKDONJSA-N 2 0 239.363 0.396 20 0 BCADRP C[NH2+]Cc1cccc(NC(=O)[C@@H](C[NH3+])OC)c1 ZINC000514788635 387285632 /nfs/dbraw/zinc/28/56/32/387285632.db2.gz WJCCAGDLOKBUSA-LLVKDONJSA-N 2 0 237.303 0.318 20 0 BCADRP COC[C@]1(CN[C@@H]2C[N@H+](C)C[C@H]2C)CCC[NH2+]1 ZINC000423439194 387288017 /nfs/dbraw/zinc/28/80/17/387288017.db2.gz VIUZVQNTCSIUOP-JHJVBQTASA-N 2 0 241.379 0.295 20 0 BCADRP COC[C@]1(CN[C@@H]2C[N@H+](C)C[C@@H]2C)CCC[NH2+]1 ZINC000423439197 387288827 /nfs/dbraw/zinc/28/88/27/387288827.db2.gz VIUZVQNTCSIUOP-YNEHKIRRSA-N 2 0 241.379 0.295 20 0 BCADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1(C)C ZINC000423439040 387288863 /nfs/dbraw/zinc/28/88/63/387288863.db2.gz SDFDERYQMNYRDQ-HRRXFJGFSA-N 2 0 224.348 0.853 20 0 BCADRP CC1(C)[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]2CCCO[C@H]21 ZINC000423442717 387292589 /nfs/dbraw/zinc/29/25/89/387292589.db2.gz VHBBRRSNZFPSGO-LSUSWQKBSA-N 2 0 236.359 0.997 20 0 BCADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423444203 387293602 /nfs/dbraw/zinc/29/36/02/387293602.db2.gz WNGNUXZIBJFTHV-IEECTRCBSA-N 2 0 224.348 0.999 20 0 BCADRP [NH3+][C@H]1CCC[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000514860702 387296621 /nfs/dbraw/zinc/29/66/21/387296621.db2.gz RSHHFTRIHQNWOF-USZNOCQGSA-N 2 0 237.347 0.324 20 0 BCADRP CO[C@H]1CCC[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000643499618 387298996 /nfs/dbraw/zinc/29/89/96/387298996.db2.gz PFVYHDFSDGHYPY-STQMWFEESA-N 2 0 241.379 0.439 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000336470058 387299748 /nfs/dbraw/zinc/29/97/48/387299748.db2.gz SCWVLCNFQPIYSZ-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP CCC[C@H](C(=O)NC[C@@H](C)C[NH3+])[NH+](C)C ZINC000423453795 387301796 /nfs/dbraw/zinc/30/17/96/387301796.db2.gz KWOAHRUXZSEDAY-VHSXEESVSA-N 2 0 215.341 0.428 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000423452850 387301944 /nfs/dbraw/zinc/30/19/44/387301944.db2.gz KDPBQNXAUXYCBQ-SECBINFHSA-N 2 0 232.287 0.659 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000258848041 387303333 /nfs/dbraw/zinc/30/33/33/387303333.db2.gz QWGDSSYVSLZVMQ-WDEREUQCSA-N 2 0 227.352 0.381 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)NCCC[NH2+]C1CC1 ZINC000418285431 387304734 /nfs/dbraw/zinc/30/47/34/387304734.db2.gz FLFZVXMXPPMZEJ-SECBINFHSA-N 2 0 228.340 0.023 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000648121419 387308568 /nfs/dbraw/zinc/30/85/68/387308568.db2.gz KDBANWFYXXFTFJ-GHMZBOCLSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000643502087 387356605 /nfs/dbraw/zinc/35/66/05/387356605.db2.gz XFFOKQRVZSBIKP-GRYCIOLGSA-N 2 0 211.353 0.668 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H](C)CC[NH3+])[C@H](C)[NH3+] ZINC000423531049 387359018 /nfs/dbraw/zinc/35/90/18/387359018.db2.gz QAJCMRGIQHFTFP-UTLUCORTSA-N 2 0 215.341 0.459 20 0 BCADRP c1ccc([C@@H]2C[NH2+]C[C@H]2N[C@@H]2CC[NH2+]C2)cc1 ZINC000423536236 387360588 /nfs/dbraw/zinc/36/05/88/387360588.db2.gz ZBXRWQQWHGJVPO-HZSPNIEDSA-N 2 0 231.343 0.694 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000515300616 387360694 /nfs/dbraw/zinc/36/06/94/387360694.db2.gz MQZDULBGWZCUKN-GMTAPVOTSA-N 2 0 225.336 0.230 20 0 BCADRP CCC[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[NH+](C)C ZINC000423592429 387384341 /nfs/dbraw/zinc/38/43/41/387384341.db2.gz KPXRSGSWQOWPPL-QJPTWQEYSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423545336 387368292 /nfs/dbraw/zinc/36/82/92/387368292.db2.gz PEPVRGHOUUHYDR-HTOAHKCRSA-N 2 0 237.391 0.914 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000515351612 387371004 /nfs/dbraw/zinc/37/10/04/387371004.db2.gz MULJHITVIIOFPQ-CMPLNLGQSA-N 2 0 243.351 0.080 20 0 BCADRP C[C@H](C[C@H]1COCCN1)[NH2+]CCC[NH2+]C1CC1 ZINC000423554197 387372913 /nfs/dbraw/zinc/37/29/13/387372913.db2.gz LKRNSWLWSGEORK-YPMHNXCESA-N 2 0 241.379 0.485 20 0 BCADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]CCC[NH2+]C1CC1 ZINC000423554195 387373158 /nfs/dbraw/zinc/37/31/58/387373158.db2.gz LKRNSWLWSGEORK-WCQYABFASA-N 2 0 241.379 0.485 20 0 BCADRP C[C@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000515384441 387374050 /nfs/dbraw/zinc/37/40/50/387374050.db2.gz RDEUHLZIBKJSDE-CBAPKCEASA-N 2 0 234.303 0.183 20 0 BCADRP C[C@]1(C(=O)N2CCC[C@@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000237748223 387375442 /nfs/dbraw/zinc/37/54/42/387375442.db2.gz IAPLDIFXULNWMV-WCQYABFASA-N 2 0 239.363 0.716 20 0 BCADRP COCC[N@@H+]1CC[C@@H](NCCC[NH2+]C2CC2)C1 ZINC000423570874 387379885 /nfs/dbraw/zinc/37/98/85/387379885.db2.gz XGTATZQUBHACBO-CYBMUJFWSA-N 2 0 241.379 0.439 20 0 BCADRP C[C@@H](NC[C@@H]1C[NH2+]CCO1)[C@H]1CCCC[NH2+]1 ZINC000423570190 387381085 /nfs/dbraw/zinc/38/10/85/387381085.db2.gz NGSPENQVFLFISB-GRYCIOLGSA-N 2 0 227.352 0.095 20 0 BCADRP C[C@H](N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[NH2+]1 ZINC000423473881 387320187 /nfs/dbraw/zinc/32/01/87/387320187.db2.gz GYIYMBHUGIFJHO-AEJSXWLSSA-N 2 0 233.306 0.714 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000336498267 387322115 /nfs/dbraw/zinc/32/21/15/387322115.db2.gz JISLDVXBPLPEIQ-PWSUYJOCSA-N 2 0 225.336 0.339 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[NH2+]1 ZINC000648121704 387325171 /nfs/dbraw/zinc/32/51/71/387325171.db2.gz QGRDEEAVYHUWDC-WISYIIOYSA-N 2 0 237.347 0.193 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000515058444 387329965 /nfs/dbraw/zinc/32/99/65/387329965.db2.gz UDQOAMWRLKHGBX-XKSSXDPKSA-N 2 0 228.340 0.149 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000390513725 387330454 /nfs/dbraw/zinc/33/04/54/387330454.db2.gz CKVPWOZWQXLYAR-AATLWQCWSA-N 2 0 213.325 0.308 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000572347486 387338016 /nfs/dbraw/zinc/33/80/16/387338016.db2.gz YHHKVNSQSBMMFC-QWRGUYRKSA-N 2 0 227.352 0.762 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000354156108 387338314 /nfs/dbraw/zinc/33/83/14/387338314.db2.gz VPSKSYROLJBGEQ-NXEZZACHSA-N 2 0 213.325 0.147 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)c1ccc2c[nH+]cn2c1 ZINC000423494017 387338545 /nfs/dbraw/zinc/33/85/45/387338545.db2.gz COFVSFDKTRVBJR-SECBINFHSA-N 2 0 232.287 0.801 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373042528 387341814 /nfs/dbraw/zinc/34/18/14/387341814.db2.gz MDRZXZPVXJMOHF-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373042526 387343271 /nfs/dbraw/zinc/34/32/71/387343271.db2.gz MDRZXZPVXJMOHF-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](NC[C@H]1C[NH2+]CCN1C)[C@H]1CCCC[NH2+]1 ZINC000423507106 387346320 /nfs/dbraw/zinc/34/63/20/387346320.db2.gz HPJYHWYXOZNWIF-YNEHKIRRSA-N 2 0 240.395 0.010 20 0 BCADRP CCC[C@@H](C(=O)NCC[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000423581271 387383662 /nfs/dbraw/zinc/38/36/62/387383662.db2.gz BUWXGGCFJXNBBL-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H](C)C[NH3+] ZINC000515223184 387347960 /nfs/dbraw/zinc/34/79/60/387347960.db2.gz JMQLBSCSWFHZNL-MNOVXSKESA-N 2 0 242.367 0.317 20 0 BCADRP C[C@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000374157923 387426459 /nfs/dbraw/zinc/42/64/59/387426459.db2.gz GPQWTKCHCYRUBS-RNJOBUHISA-N 2 0 224.348 0.783 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000515842914 387433711 /nfs/dbraw/zinc/43/37/11/387433711.db2.gz IBAAPGJZHZJQCC-CMPLNLGQSA-N 2 0 227.352 0.620 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]([NH3+])C1CCC1 ZINC000423842257 387433889 /nfs/dbraw/zinc/43/38/89/387433889.db2.gz GZYXNJKSJJUWLH-GFCCVEGCSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423837566 387434719 /nfs/dbraw/zinc/43/47/19/387434719.db2.gz AOPWKGNJTWYTTQ-JTQLQIEISA-N 2 0 227.352 0.395 20 0 BCADRP [NH3+]C1(C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000515847982 387434899 /nfs/dbraw/zinc/43/48/99/387434899.db2.gz WQZGEQUQPKWNAR-UHFFFAOYSA-N 2 0 223.320 0.080 20 0 BCADRP CC[C@]1(C(=O)NCCCC[NH+](C)C)CCC[NH2+]1 ZINC000122032913 387461672 /nfs/dbraw/zinc/46/16/72/387461672.db2.gz KRLMXPVQVFNFHV-CYBMUJFWSA-N 2 0 241.379 0.977 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000423850560 387437922 /nfs/dbraw/zinc/43/79/22/387437922.db2.gz QIHDNEKMKNRVGN-LLVKDONJSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000516059239 387451462 /nfs/dbraw/zinc/45/14/62/387451462.db2.gz CYFRGMMPIABYFF-WYUUTHIRSA-N 2 0 239.363 0.700 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000423976625 387458973 /nfs/dbraw/zinc/45/89/73/387458973.db2.gz MUUULFZPJUAAIS-UWVGGRQHSA-N 2 0 213.325 0.134 20 0 BCADRP [NH3+][C@H]1CCC[C@]12CCN(C(=O)[C@@H]1CCC[NH2+]1)C2 ZINC000373622129 387385215 /nfs/dbraw/zinc/38/52/15/387385215.db2.gz GZAVJNNEBSIIRW-GMXVVIOVSA-N 2 0 237.347 0.468 20 0 BCADRP CCC[C@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+](C)C ZINC000423612055 387387729 /nfs/dbraw/zinc/38/77/29/387387729.db2.gz SYZVCWOGPSOPJX-GRYCIOLGSA-N 2 0 239.363 0.395 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC000423626100 387388929 /nfs/dbraw/zinc/38/89/29/387388929.db2.gz GUHSSUFUHOMSLY-SECBINFHSA-N 2 0 236.319 0.485 20 0 BCADRP CC[C@@H](C(=O)N(C)CC[NH+](C)C)[NH+](C)C ZINC000121673037 387393017 /nfs/dbraw/zinc/39/30/17/387393017.db2.gz TUKIXJSLVVKZMB-JTQLQIEISA-N 2 0 215.341 0.347 20 0 BCADRP CCC[C@H](C(=O)N[C@H](C)CCC[NH3+])[NH+](C)C ZINC000423678513 387396085 /nfs/dbraw/zinc/39/60/85/387396085.db2.gz JCIPCXWCUUVARL-GHMZBOCLSA-N 2 0 229.368 0.960 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000423682785 387397586 /nfs/dbraw/zinc/39/75/86/387397586.db2.gz PERTUDCLGFQUEB-JTQLQIEISA-N 2 0 232.287 0.801 20 0 BCADRP C[NH2+]CCC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000423721804 387403287 /nfs/dbraw/zinc/40/32/87/387403287.db2.gz FXNMKSYJAKRWOS-UHFFFAOYSA-N 2 0 249.358 0.974 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423967927 387460634 /nfs/dbraw/zinc/46/06/34/387460634.db2.gz TXIRVTKSPLZCFO-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)CC1(C[NH3+])CC1 ZINC000423749935 387409480 /nfs/dbraw/zinc/40/94/80/387409480.db2.gz WODCHDKKZMGPGU-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000361183230 387411786 /nfs/dbraw/zinc/41/17/86/387411786.db2.gz QIYXVQHCKDYKIW-YNEHKIRRSA-N 2 0 243.395 0.635 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000361183227 387412520 /nfs/dbraw/zinc/41/25/20/387412520.db2.gz QIYXVQHCKDYKIW-FRRDWIJNSA-N 2 0 243.395 0.635 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000361183229 387413203 /nfs/dbraw/zinc/41/32/03/387413203.db2.gz QIYXVQHCKDYKIW-RWMBFGLXSA-N 2 0 243.395 0.635 20 0 BCADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCC[NH3+] ZINC000423769238 387419112 /nfs/dbraw/zinc/41/91/12/387419112.db2.gz GAZDSRMHUALZBO-RYUDHWBXSA-N 2 0 239.363 0.811 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C[NH3+] ZINC000423766112 387419179 /nfs/dbraw/zinc/41/91/79/387419179.db2.gz CHKXWYRLLGECHH-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000037041722 387421154 /nfs/dbraw/zinc/42/11/54/387421154.db2.gz WKADYBDACUZWDS-LLVKDONJSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H]1CN(C)CCO1 ZINC000643474869 387496213 /nfs/dbraw/zinc/49/62/13/387496213.db2.gz JHUOIQPTGFTRMB-FRRDWIJNSA-N 2 0 243.395 0.813 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC(C)(CCOC)C1 ZINC000514680529 387543029 /nfs/dbraw/zinc/54/30/29/387543029.db2.gz ZFYKOHDKGLJTPW-LBPRGKRZSA-N 2 0 244.379 0.657 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCN2CCC(O)CC2)C1 ZINC000321776524 387506309 /nfs/dbraw/zinc/50/63/09/387506309.db2.gz HBKSSVFNZUKXNL-NWDGAFQWSA-N 2 0 241.379 0.303 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000516462573 387511801 /nfs/dbraw/zinc/51/18/01/387511801.db2.gz BOKTYZPQWJHNBP-GHMZBOCLSA-N 2 0 227.352 0.252 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000375257529 387517983 /nfs/dbraw/zinc/51/79/83/387517983.db2.gz YUQQSHLVEVOXSE-CNDDSTCGSA-N 2 0 239.363 0.807 20 0 BCADRP C[C@@H]1C[C@H](C(=O)NC[C@H]2CC[N@H+](C)C2)CC[NH2+]1 ZINC000300129811 387518415 /nfs/dbraw/zinc/51/84/15/387518415.db2.gz ADBNJBKMMCRFDJ-IJLUTSLNSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH+](C)C ZINC000086270645 387521503 /nfs/dbraw/zinc/52/15/03/387521503.db2.gz DAZQSNHFXUPYQW-ZJUUUORDSA-N 2 0 213.325 0.052 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCC[NH2+]C ZINC000424017039 387466399 /nfs/dbraw/zinc/46/63/99/387466399.db2.gz FQGBLRFKPOEIAK-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H](C)[NH2+]C ZINC000514679637 387541824 /nfs/dbraw/zinc/54/18/24/387541824.db2.gz OLNUACQMVUMOEO-QMMMGPOBSA-N 2 0 201.314 0.228 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000424021505 387468697 /nfs/dbraw/zinc/46/86/97/387468697.db2.gz QZMVFLHQLXDORI-NEPJUHHUSA-N 2 0 241.379 0.688 20 0 BCADRP C[NH2+][C@H](C)Cc1noc(C2(C[NH3+])CCCC2)n1 ZINC000516180997 387468929 /nfs/dbraw/zinc/46/89/29/387468929.db2.gz YNHMXYNMRSITDZ-SECBINFHSA-N 2 0 238.335 0.991 20 0 BCADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])c1 ZINC000424063559 387474876 /nfs/dbraw/zinc/47/48/76/387474876.db2.gz XNSMDBZGJIFPNK-MNOVXSKESA-N 2 0 219.288 0.692 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCC[NH2+]C1CC1 ZINC000643507197 387476180 /nfs/dbraw/zinc/47/61/80/387476180.db2.gz VNVFJIJJSVVZSB-MFKMUULPSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000424078327 387481276 /nfs/dbraw/zinc/48/12/76/387481276.db2.gz QLBDXJMNKDRWKK-NHCYSSNCSA-N 2 0 247.342 0.886 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NCC[NH2+]C1CC1 ZINC000643508265 387482554 /nfs/dbraw/zinc/48/25/54/387482554.db2.gz ZRZNJFHQZKCTOJ-CMPLNLGQSA-N 2 0 211.353 0.846 20 0 BCADRP CC[C@@H](NCC[NH2+]C1CC1)[C@@H]1CCC[NH2+]1 ZINC000643508076 387484423 /nfs/dbraw/zinc/48/44/23/387484423.db2.gz HZASFKFPLVIANO-NEPJUHHUSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H](Cn1cccn1)NCC[NH2+]C1CC1 ZINC000643507492 387486406 /nfs/dbraw/zinc/48/64/06/387486406.db2.gz GQIXCOGRCYJQFU-JTQLQIEISA-N 2 0 208.309 0.613 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000374805326 387492443 /nfs/dbraw/zinc/49/24/43/387492443.db2.gz IFGYPZCEIDVALY-JTQLQIEISA-N 2 0 239.363 0.857 20 0 BCADRP CN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426686565 387585925 /nfs/dbraw/zinc/58/59/25/387585925.db2.gz GAOZNKKHGVPZTD-GFCCVEGCSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH+](C)CCCC1CC[NH+](CC(N)=O)CC1 ZINC000123543388 387585995 /nfs/dbraw/zinc/58/59/95/387585995.db2.gz FACYCZMYWGHBQI-UHFFFAOYSA-N 2 0 227.352 0.526 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000375835768 387586138 /nfs/dbraw/zinc/58/61/38/387586138.db2.gz YUMALGQHHJNHJH-VPOLOUISSA-N 2 0 225.336 0.167 20 0 BCADRP CCC[C@H](C(=O)N1CCC[NH2+]CC1)[NH+](C)C ZINC000422716785 387628316 /nfs/dbraw/zinc/62/83/16/387628316.db2.gz VHIAFPUBMPMZAS-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NC(C)(C)CC[NH3+] ZINC000422537543 387595111 /nfs/dbraw/zinc/59/51/11/387595111.db2.gz HHBUQLGPCSONRB-VIFPVBQESA-N 2 0 215.341 0.461 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000422534762 387595387 /nfs/dbraw/zinc/59/53/87/387595387.db2.gz BKSMRBJJTXDKKM-JTQLQIEISA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422536314 387595450 /nfs/dbraw/zinc/59/54/50/387595450.db2.gz FGKFCGADMOCNGS-HTFCKZLJSA-N 2 0 241.379 0.802 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000422539431 387596616 /nfs/dbraw/zinc/59/66/16/387596616.db2.gz KJSGPXVSAJDQAL-VHSXEESVSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422540181 387597533 /nfs/dbraw/zinc/59/75/33/387597533.db2.gz LMZUGQWLOGDXBL-ZDCRXTMVSA-N 2 0 227.352 0.413 20 0 BCADRP COC[C@H]([NH3+])C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375984977 387599433 /nfs/dbraw/zinc/59/94/33/387599433.db2.gz CKNWKKNYQPSLRG-NSHDSACASA-N 2 0 249.314 0.245 20 0 BCADRP C1CC2(C1)[NH2+]CC[C@H]2N[C@@H]1CCC[NH2+]C1 ZINC000527531453 387601899 /nfs/dbraw/zinc/60/18/99/387601899.db2.gz FGAOYRONLTWUMT-GHMZBOCLSA-N 2 0 209.337 0.613 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]1C[C@@H]1[NH3+])C1CCCCC1 ZINC000424127488 387603233 /nfs/dbraw/zinc/60/32/33/387603233.db2.gz DIZSPGFFGBWDQA-NEPJUHHUSA-N 2 0 239.363 0.714 20 0 BCADRP C1CC2(C1)[NH2+]CC[C@@H]2NC1CC[NH2+]CC1 ZINC000527531666 387603714 /nfs/dbraw/zinc/60/37/14/387603714.db2.gz IQBTYDXPDKNKLL-NSHDSACASA-N 2 0 209.337 0.613 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000422606216 387605278 /nfs/dbraw/zinc/60/52/78/387605278.db2.gz IGQYOSSOOUDEPA-SECBINFHSA-N 2 0 228.340 0.165 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)NC(C)(C)CC[NH3+] ZINC000422606320 387605987 /nfs/dbraw/zinc/60/59/87/387605987.db2.gz IHZDPLYKRDASAG-JTQLQIEISA-N 2 0 244.383 0.931 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422603798 387606084 /nfs/dbraw/zinc/60/60/84/387606084.db2.gz ADFSFYYMYVYADX-QWRGUYRKSA-N 2 0 242.367 0.317 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422614450 387606963 /nfs/dbraw/zinc/60/69/63/387606963.db2.gz YQVCKGUWZKYXKO-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP CCC[C@H](C(=O)N1CCC[C@H]([NH3+])C1)[NH+](C)C ZINC000422682784 387610409 /nfs/dbraw/zinc/61/04/09/387610409.db2.gz BPHMCWYTPPZOLF-WDEREUQCSA-N 2 0 227.352 0.666 20 0 BCADRP CC1(C)COCCN1CC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422716972 387629329 /nfs/dbraw/zinc/62/93/29/387629329.db2.gz VBEWELUKZXXHDK-NWDGAFQWSA-N 2 0 241.379 0.567 20 0 BCADRP CCC(CC)[C@@H](O)C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422700874 387615012 /nfs/dbraw/zinc/61/50/12/387615012.db2.gz AYBMKJCRZQUJQN-SKDRFNHKSA-N 2 0 214.353 0.981 20 0 BCADRP CN(CC[NH2+][C@@H]1CCC[C@@H]1[NH3+])CC(F)(F)F ZINC000422702243 387619199 /nfs/dbraw/zinc/61/91/99/387619199.db2.gz DPVPSBKRJROYRX-DTWKUNHWSA-N 2 0 239.285 0.950 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN1CCOC[C@@H]1C ZINC000422707527 387620702 /nfs/dbraw/zinc/62/07/02/387620702.db2.gz AHJPGZFMZGQCCL-TUAOUCFPSA-N 2 0 229.368 0.423 20 0 BCADRP C[NH+](C)Cc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC000422708478 387622895 /nfs/dbraw/zinc/62/28/95/387622895.db2.gz XTMDLJLECCWYEZ-UHFFFAOYSA-N 2 0 247.342 0.794 20 0 BCADRP CCC[C@@H](C(=O)NCCC[NH3+])[NH+](C)C ZINC000422710471 387624661 /nfs/dbraw/zinc/62/46/61/387624661.db2.gz LIEYZYAIPKMFDP-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP C[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000527533829 387625354 /nfs/dbraw/zinc/62/53/54/387625354.db2.gz VYXKDVCXLOYYEY-GFCCVEGCSA-N 2 0 223.364 0.955 20 0 BCADRP CC[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000422038867 387545154 /nfs/dbraw/zinc/54/51/54/387545154.db2.gz QSDGLYUZQHBILJ-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC000430548922 387627345 /nfs/dbraw/zinc/62/73/45/387627345.db2.gz WUAIPDQYVWJHAH-VXGBXAGGSA-N 2 0 239.363 0.668 20 0 BCADRP CC(C)[C@@H](C(=O)NCC[N@H+](C)C1CC1)[C@H](C)[NH3+] ZINC000399626341 387564168 /nfs/dbraw/zinc/56/41/68/387564168.db2.gz DREROQHYDLTPDK-CMPLNLGQSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@@H](O)CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000305688377 387627631 /nfs/dbraw/zinc/62/76/31/387627631.db2.gz QSDGZZGQADSNHY-CYBMUJFWSA-N 2 0 243.395 0.327 20 0 BCADRP COC(=O)[C@H](C)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000375723335 387574949 /nfs/dbraw/zinc/57/49/49/387574949.db2.gz PEULXZVUCNJAJA-MXWKQRLJSA-N 2 0 226.320 0.289 20 0 BCADRP CC[N@H+](CC(=O)NC[C@@H](C)C[NH+](C)C)C1CC1 ZINC000355752082 387577408 /nfs/dbraw/zinc/57/74/08/387577408.db2.gz ZTBAHBONCCSBRF-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@](CN)([NH2+]CCN1CCCC1=O)C1CC1 ZINC000430591614 387631238 /nfs/dbraw/zinc/63/12/38/387631238.db2.gz ONSSIFLTWUTEFD-LBPRGKRZSA-N 2 0 225.336 0.326 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430617044 387633134 /nfs/dbraw/zinc/63/31/34/387633134.db2.gz JPSOKVUTWIHEKT-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000430607022 387634215 /nfs/dbraw/zinc/63/42/15/387634215.db2.gz AZTIWDFLEWIBBJ-YPMHNXCESA-N 2 0 249.358 0.967 20 0 BCADRP C[C@@H](CN[C@@H](C)C1C[NH2+]C1)C[NH+]1CCCC1 ZINC000422725662 387635584 /nfs/dbraw/zinc/63/55/84/387635584.db2.gz YJTNVIZOFUKESZ-RYUDHWBXSA-N 2 0 225.380 0.916 20 0 BCADRP NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C[NH3+])CC1 ZINC000430623683 387636100 /nfs/dbraw/zinc/63/61/00/387636100.db2.gz HRXGUEOKSLCPON-CYBMUJFWSA-N 2 0 247.342 0.884 20 0 BCADRP C[C@H](CN[C@H](C)C1C[NH2+]C1)C[NH+]1CCCC1 ZINC000422725663 387636629 /nfs/dbraw/zinc/63/66/29/387636629.db2.gz YJTNVIZOFUKESZ-VXGBXAGGSA-N 2 0 225.380 0.916 20 0 BCADRP CCC[C@H](C(=O)N[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000422728509 387637541 /nfs/dbraw/zinc/63/75/41/387637541.db2.gz JESOFHNZHHQDMH-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C[NH2+]CC1CC1)C1CC1 ZINC000430696677 387640882 /nfs/dbraw/zinc/64/08/82/387640882.db2.gz QVLUYYBAVNVOQS-GFCCVEGCSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@@H](C(=O)NCC[N@H+](CC)C1CC1)[NH+](C)C ZINC000125114711 387642995 /nfs/dbraw/zinc/64/29/95/387642995.db2.gz SEGCDRZHUDOBJK-LBPRGKRZSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430730114 387644050 /nfs/dbraw/zinc/64/40/50/387644050.db2.gz IFTZFTJVSDVIPF-GHMZBOCLSA-N 2 0 241.379 0.736 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000430772644 387648903 /nfs/dbraw/zinc/64/89/03/387648903.db2.gz CIDZKZSKHQOCIU-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000422746673 387651074 /nfs/dbraw/zinc/65/10/74/387651074.db2.gz OCJMIRBYSZSWNY-RYUDHWBXSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H]1C[C@@H](N(C)C(=O)C2([NH3+])CC2)CC[N@@H+]1C ZINC000430783608 387651198 /nfs/dbraw/zinc/65/11/98/387651198.db2.gz MZVHILXFVFFRAM-UWVGGRQHSA-N 2 0 225.336 0.419 20 0 BCADRP CCC[C@H](C(=O)N[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000422746814 387651853 /nfs/dbraw/zinc/65/18/53/387651853.db2.gz OIVWZNUIRXRZAR-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@H]1C[C@H](N(C)C(=O)C2([NH3+])CC2)CC[N@@H+]1C ZINC000430783609 387652285 /nfs/dbraw/zinc/65/22/85/387652285.db2.gz MZVHILXFVFFRAM-VHSXEESVSA-N 2 0 225.336 0.419 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH2+]C)C[C@H]1C ZINC000430796236 387652486 /nfs/dbraw/zinc/65/24/86/387652486.db2.gz KBFMNTYSUZPYOJ-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP C[NH2+]CC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000430802243 387653634 /nfs/dbraw/zinc/65/36/34/387653634.db2.gz KTNALVGEXCFZTA-GFCCVEGCSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)[C@H](C)N1CCOCC1 ZINC000422747964 387654131 /nfs/dbraw/zinc/65/41/31/387654131.db2.gz ZZPDKEWRXBVXFB-CYDGBPFRSA-N 2 0 243.395 0.811 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000430802804 387654472 /nfs/dbraw/zinc/65/44/72/387654472.db2.gz OFXGRIOYBZKCSS-TUAOUCFPSA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000362769641 387658072 /nfs/dbraw/zinc/65/80/72/387658072.db2.gz NCCKYKRGZWIMEP-VXGBXAGGSA-N 2 0 241.379 0.641 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430899587 387658760 /nfs/dbraw/zinc/65/87/60/387658760.db2.gz MECWOTGCYAKNGR-ONGXEEELSA-N 2 0 225.336 0.419 20 0 BCADRP C[C@@H]1C[N@H+](CCCN2CCOCC2)CC[C@H]1[NH3+] ZINC000430919575 387661119 /nfs/dbraw/zinc/66/11/19/387661119.db2.gz LRJNCNGQJAOXFF-CHWSQXEVSA-N 2 0 241.379 0.378 20 0 BCADRP CCCCNC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430968665 387664628 /nfs/dbraw/zinc/66/46/28/387664628.db2.gz ATTUKYNWUPOYQR-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)N1CCOCC1 ZINC000422765958 387664710 /nfs/dbraw/zinc/66/47/10/387664710.db2.gz WOHOQZPSOXIIKS-NEPJUHHUSA-N 2 0 243.395 0.813 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])[C@H](C)C1 ZINC000424137959 387667406 /nfs/dbraw/zinc/66/74/06/387667406.db2.gz CQJOTKRCHNQRGG-WYUUTHIRSA-N 2 0 239.363 0.522 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H](C)C1 ZINC000424137956 387667458 /nfs/dbraw/zinc/66/74/58/387667458.db2.gz CQJOTKRCHNQRGG-USZNOCQGSA-N 2 0 239.363 0.522 20 0 BCADRP CCC[C@@H](C(=O)N1CC[C@H]([NH3+])C1)[NH+](C)C ZINC000422768898 387668263 /nfs/dbraw/zinc/66/82/63/387668263.db2.gz OFNYVZCMVGCUSA-UWVGGRQHSA-N 2 0 213.325 0.276 20 0 BCADRP COCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000305966089 387668387 /nfs/dbraw/zinc/66/83/87/387668387.db2.gz XUJIOXPHUDYDNB-UPJWGTAASA-N 2 0 242.363 0.600 20 0 BCADRP CCC[C@H](C(=O)N1CC[C@H]([NH3+])C1)[NH+](C)C ZINC000422768901 387669057 /nfs/dbraw/zinc/66/90/57/387669057.db2.gz OFNYVZCMVGCUSA-VHSXEESVSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C(C)(C)C[NH3+])C[N@@H+]1C1CC1 ZINC000431027954 387669519 /nfs/dbraw/zinc/66/95/19/387669519.db2.gz ZPAHDVCCEIZOHM-VHSXEESVSA-N 2 0 239.363 0.713 20 0 BCADRP CCC[C@@H](C(=O)NC[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000422770422 387669709 /nfs/dbraw/zinc/66/97/09/387669709.db2.gz WPBPBZRWVQOUMI-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C(C)(C)C[NH3+])C[N@@H+]1C1CC1 ZINC000431027953 387671074 /nfs/dbraw/zinc/67/10/74/387671074.db2.gz ZPAHDVCCEIZOHM-UWVGGRQHSA-N 2 0 239.363 0.713 20 0 BCADRP CCC[C@@H](C(=O)N1CCC[C@@H]([NH2+]C)C1)[NH+](C)C ZINC000422775038 387672765 /nfs/dbraw/zinc/67/27/65/387672765.db2.gz ZNIBPWOLNQFUSQ-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422776547 387674580 /nfs/dbraw/zinc/67/45/80/387674580.db2.gz CWEZACPAHWDGFH-GMTAPVOTSA-N 2 0 200.326 0.863 20 0 BCADRP CCC[C@@H](C(=O)NCC[NH2+]C)[NH+](C)C ZINC000422780133 387677770 /nfs/dbraw/zinc/67/77/70/387677770.db2.gz JWOPPAYXKMRWMQ-VIFPVBQESA-N 2 0 201.314 0.052 20 0 BCADRP CCC[C@H](C(=O)NC[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000422794692 387696219 /nfs/dbraw/zinc/69/62/19/387696219.db2.gz ZIWJXOAGPAQPHH-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000422784833 387682652 /nfs/dbraw/zinc/68/26/52/387682652.db2.gz MKXHLVSDMPRAOP-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000376984494 387684476 /nfs/dbraw/zinc/68/44/76/387684476.db2.gz ASDVNDMLVNVENC-PWSUYJOCSA-N 2 0 227.352 0.762 20 0 BCADRP CCC[C@@H](C(=O)N[C@H](C[NH3+])C1CC1)[NH+](C)C ZINC000422865264 387746219 /nfs/dbraw/zinc/74/62/19/387746219.db2.gz XLVSDCZOHGKGOP-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000377739768 387747306 /nfs/dbraw/zinc/74/73/06/387747306.db2.gz BPQSCDIRBPWXKG-RYUDHWBXSA-N 2 0 241.379 0.688 20 0 BCADRP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])c1 ZINC000424143134 387749441 /nfs/dbraw/zinc/74/94/41/387749441.db2.gz ZBFAADFXAVQNHZ-OLZOCXBDSA-N 2 0 247.342 0.712 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH2+]C1 ZINC000422871528 387749651 /nfs/dbraw/zinc/74/96/51/387749651.db2.gz DABCFPYVAVJJSH-SCVCMEIPSA-N 2 0 209.337 0.421 20 0 BCADRP CO[C@@H](C)[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000128631569 387751384 /nfs/dbraw/zinc/75/13/84/387751384.db2.gz PYYCLVQBMZRGAP-OLZOCXBDSA-N 2 0 243.395 0.637 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377812638 387751368 /nfs/dbraw/zinc/75/13/68/387751368.db2.gz YUENLLVSBDVDGX-WDEREUQCSA-N 2 0 239.363 0.476 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C1(C)C[NH2+]C1 ZINC000422877913 387754236 /nfs/dbraw/zinc/75/42/36/387754236.db2.gz IWDCARMMXVRHKZ-UHFFFAOYSA-N 2 0 213.325 0.230 20 0 BCADRP COCC[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000045018326 387700092 /nfs/dbraw/zinc/70/00/92/387700092.db2.gz CEGIQYXTGRWRGH-ZDUSSCGKSA-N 2 0 243.395 0.639 20 0 BCADRP COC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127034966 387702641 /nfs/dbraw/zinc/70/26/41/387702641.db2.gz CCGDZFOOOKSKRW-QWHCGFSZSA-N 2 0 242.363 0.411 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1NCC[NH+]1CCCCC1 ZINC000422801810 387703022 /nfs/dbraw/zinc/70/30/22/387703022.db2.gz AQLFUHMSHFTCML-NEPJUHHUSA-N 2 0 211.353 0.942 20 0 BCADRP C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000422876576 387755296 /nfs/dbraw/zinc/75/52/96/387755296.db2.gz QLDNVIZGQOXDBM-UPJWGTAASA-N 2 0 242.363 0.912 20 0 BCADRP O=C(C1C[NH2+]C1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000367811728 387755229 /nfs/dbraw/zinc/75/52/29/387755229.db2.gz VJVQCEKBSSDBPS-XQQFMLRXSA-N 2 0 249.358 0.149 20 0 BCADRP CC[C@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)[NH+](C)C ZINC000629614004 387713285 /nfs/dbraw/zinc/71/32/85/387713285.db2.gz VCNAZPZMRWDSCV-LPEHRKFASA-N 2 0 231.315 0.143 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)c1c[nH+]ccc1N ZINC000127525032 387714707 /nfs/dbraw/zinc/71/47/07/387714707.db2.gz IUQXHRMOWMCHLE-VIFPVBQESA-N 2 0 236.319 0.734 20 0 BCADRP CCC[C@H](C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)[NH+](C)C ZINC000422820381 387717137 /nfs/dbraw/zinc/71/71/37/387717137.db2.gz QGTOLAODEUSQAR-SDDRHHMPSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@@H]([NH2+]CCCO[C@H]1CCOC1)[C@H]1CCC[NH2+]1 ZINC000422876573 387755476 /nfs/dbraw/zinc/75/54/76/387755476.db2.gz QLDNVIZGQOXDBM-FRRDWIJNSA-N 2 0 242.363 0.912 20 0 BCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424142006 387720468 /nfs/dbraw/zinc/72/04/68/387720468.db2.gz HQBLYCIDLXBQOU-TUAOUCFPSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H](N[C@@H]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000643522747 387721353 /nfs/dbraw/zinc/72/13/53/387721353.db2.gz BYUAIRTXCAABAM-QJPTWQEYSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@H](N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000643522750 387721569 /nfs/dbraw/zinc/72/15/69/387721569.db2.gz BYUAIRTXCAABAM-TUAOUCFPSA-N 2 0 211.353 0.859 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC000422828609 387724319 /nfs/dbraw/zinc/72/43/19/387724319.db2.gz ONNXADMYWWADGR-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[NH2+]1 ZINC000422834072 387724882 /nfs/dbraw/zinc/72/48/82/387724882.db2.gz HJPMIYASDKUJOJ-SNVBAGLBSA-N 2 0 248.330 0.582 20 0 BCADRP CC[C@@H](COC)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000127772990 387724782 /nfs/dbraw/zinc/72/47/82/387724782.db2.gz QJGUEQVBHQFDAU-OLZOCXBDSA-N 2 0 243.395 0.637 20 0 BCADRP CC1(C(=O)N[C@H](C[NH3+])C2CCCCC2)C[NH2+]C1 ZINC000422844907 387725385 /nfs/dbraw/zinc/72/53/85/387725385.db2.gz NCKMRQVXWLMSMW-LLVKDONJSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424142523 387732764 /nfs/dbraw/zinc/73/27/64/387732764.db2.gz YKHXNEBCUBMROU-CHWFTXMASA-N 2 0 223.320 0.077 20 0 BCADRP C[C@H]1CCCN(C(=O)CC2(C[NH3+])CC2)[C@@H]1C[NH3+] ZINC000422845519 387735573 /nfs/dbraw/zinc/73/55/73/387735573.db2.gz CAVXSSXKDWINTC-WDEREUQCSA-N 2 0 239.363 0.701 20 0 BCADRP COCC[N@H+](C)CCCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422852229 387738002 /nfs/dbraw/zinc/73/80/02/387738002.db2.gz XSDVHFYMTWFICM-STQMWFEESA-N 2 0 243.395 0.685 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424142708 387738086 /nfs/dbraw/zinc/73/80/86/387738086.db2.gz ITRASRYKDXAVGT-YTWAJWBKSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000367648884 387738531 /nfs/dbraw/zinc/73/85/31/387738531.db2.gz NKUKNDDRCNHVEM-NXEZZACHSA-N 2 0 225.336 0.324 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000377749617 387738846 /nfs/dbraw/zinc/73/88/46/387738846.db2.gz WNAIHSWHWKSMEN-MXWKQRLJSA-N 2 0 225.336 0.182 20 0 BCADRP COCC[N@H+](C)CCCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422852227 387738829 /nfs/dbraw/zinc/73/88/29/387738829.db2.gz XSDVHFYMTWFICM-OLZOCXBDSA-N 2 0 243.395 0.685 20 0 BCADRP C[C@@H](C[NH3+])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367644233 387738933 /nfs/dbraw/zinc/73/89/33/387738933.db2.gz SHFTYHZHDCYTCB-QMMMGPOBSA-N 2 0 234.303 0.261 20 0 BCADRP CCC[C@H](C(=O)NC[C@@H]([NH3+])C(C)C)[NH+](C)C ZINC000422856565 387742392 /nfs/dbraw/zinc/74/23/92/387742392.db2.gz WYIQCVIBHHYEOR-GHMZBOCLSA-N 2 0 229.368 0.816 20 0 BCADRP COCC[N@@H+]1CC[C@H](N[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422892903 387762257 /nfs/dbraw/zinc/76/22/57/387762257.db2.gz ZSDWLCWJDGTOBS-FRRDWIJNSA-N 2 0 241.379 0.437 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000129282265 387766332 /nfs/dbraw/zinc/76/63/32/387766332.db2.gz MHYKSFJBTOZOCN-GMTAPVOTSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000441599600 387770604 /nfs/dbraw/zinc/77/06/04/387770604.db2.gz OYUDLYLSSGSYLK-ZYHUDNBSSA-N 2 0 235.331 0.788 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000441599598 387771217 /nfs/dbraw/zinc/77/12/17/387771217.db2.gz OYUDLYLSSGSYLK-JQWIXIFHSA-N 2 0 235.331 0.788 20 0 BCADRP C[C@H](CCN1CCOCC1)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422913162 387771519 /nfs/dbraw/zinc/77/15/19/387771519.db2.gz PCXIFBUIEQZHTO-YNEHKIRRSA-N 2 0 243.395 0.813 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000441626499 387772093 /nfs/dbraw/zinc/77/20/93/387772093.db2.gz YAGYLEPMJVENMY-RHYQMDGZSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000378202077 387772173 /nfs/dbraw/zinc/77/21/73/387772173.db2.gz FNGQYMVPNQIGEC-LBPRGKRZSA-N 2 0 245.342 0.392 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000422917991 387774400 /nfs/dbraw/zinc/77/44/00/387774400.db2.gz GNQHVSZMCSZCCE-DDHJBXDOSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)[C@@H]2CCCO2)CC[N@@H+]1C ZINC000527958149 387785315 /nfs/dbraw/zinc/78/53/15/387785315.db2.gz UZGDUKBZNPFVMZ-NDBYEHHHSA-N 2 0 242.363 0.599 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000157355378 387787903 /nfs/dbraw/zinc/78/79/03/387787903.db2.gz AHLIZCMHGWHKRJ-AEJSXWLSSA-N 2 0 213.325 0.132 20 0 BCADRP CC1CC[NH+](C[C@@H](O)CN[C@@H]2CC[NH2+]C2)CC1 ZINC000422979088 387788850 /nfs/dbraw/zinc/78/88/50/387788850.db2.gz LGADFJKVWUTDPO-OLZOCXBDSA-N 2 0 241.379 0.031 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000424151658 387793075 /nfs/dbraw/zinc/79/30/75/387793075.db2.gz HKPWAGWZXADQRN-SDDRHHMPSA-N 2 0 237.347 0.420 20 0 BCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424151602 387793164 /nfs/dbraw/zinc/79/31/64/387793164.db2.gz IBUQLLWTKURFTJ-KXNHARMFSA-N 2 0 237.347 0.419 20 0 BCADRP CC[C@@]1(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)CCC[NH2+]1 ZINC000193545256 387794227 /nfs/dbraw/zinc/79/42/27/387794227.db2.gz RSHITAPHVNBHLR-WZRBSPASSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000193566424 387795448 /nfs/dbraw/zinc/79/54/48/387795448.db2.gz ALTKNOAHQHZACR-HBNTYKKESA-N 2 0 225.336 0.385 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH+](C)C ZINC000432534032 387800468 /nfs/dbraw/zinc/80/04/68/387800468.db2.gz BNSAPEQLJIOMHQ-UTUOFQBUSA-N 2 0 241.379 0.687 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422990240 387800857 /nfs/dbraw/zinc/80/08/57/387800857.db2.gz MYZUIOXGLABICH-NOOOWODRSA-N 2 0 211.353 0.524 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422990242 387801085 /nfs/dbraw/zinc/80/10/85/387801085.db2.gz MYZUIOXGLABICH-WISYIIOYSA-N 2 0 211.353 0.524 20 0 BCADRP [NH3+]CCCN(CC1CCCC1)C(=O)NCC[NH3+] ZINC000418302030 387804733 /nfs/dbraw/zinc/80/47/33/387804733.db2.gz ZQYAZGPBRDHKTA-UHFFFAOYSA-N 2 0 242.367 0.496 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@@](C)(O)COC)CC1 ZINC000309472603 387807242 /nfs/dbraw/zinc/80/72/42/387807242.db2.gz RAQFWWPNOLQFOV-GFCCVEGCSA-N 2 0 230.352 0.458 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442616683 387807395 /nfs/dbraw/zinc/80/73/95/387807395.db2.gz BTRPSDGMPZTMRT-WDEREUQCSA-N 2 0 241.379 0.947 20 0 BCADRP C[NH2+]CCCNC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000418303657 387807888 /nfs/dbraw/zinc/80/78/88/387807888.db2.gz DLMMAUZQKCRZEK-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCC[NH3+] ZINC000309496308 387810489 /nfs/dbraw/zinc/81/04/89/387810489.db2.gz TZZXIDDNAVQPRT-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H]([NH3+])c1ccc(CNC(=O)C2(C)C[NH2+]C2)cc1 ZINC000422882400 387758629 /nfs/dbraw/zinc/75/86/29/387758629.db2.gz APUPPRNVHTUEJZ-JTQLQIEISA-N 2 0 247.342 0.932 20 0 BCADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H](C)[NH3+] ZINC000643526929 387759721 /nfs/dbraw/zinc/75/97/21/387759721.db2.gz HQIDEHMUBMUOGF-WDEREUQCSA-N 2 0 210.325 0.845 20 0 BCADRP Cc1nc(C[C@H]2CCCN(C[C@@H](C)[NH3+])C2)no1 ZINC000442665763 387819766 /nfs/dbraw/zinc/81/97/66/387819766.db2.gz NUTDYJAYRGZJMY-MWLCHTKSSA-N 2 0 238.335 0.980 20 0 BCADRP CC[C@@H](CCO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422973719 387823355 /nfs/dbraw/zinc/82/33/55/387823355.db2.gz CKVZXLDUCRGGOK-VWYCJHECSA-N 2 0 200.326 0.878 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000528011677 387823490 /nfs/dbraw/zinc/82/34/90/387823490.db2.gz MSMLMFZCJXTTFN-JQWIXIFHSA-N 2 0 239.363 0.857 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000442711694 387826689 /nfs/dbraw/zinc/82/66/89/387826689.db2.gz FEMLAZJQVNIQEZ-OUAUKWLOSA-N 2 0 227.352 0.748 20 0 BCADRP CCC(CC)(CO)C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423005440 387828786 /nfs/dbraw/zinc/82/87/86/387828786.db2.gz SCMOZEDOLUQMCI-SNVBAGLBSA-N 2 0 214.353 0.983 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1COC1 ZINC000528026868 387832260 /nfs/dbraw/zinc/83/22/60/387832260.db2.gz REUAJOCJXHCRLE-SCVCMEIPSA-N 2 0 212.337 0.951 20 0 BCADRP CC[C@@H]([NH2+]CC1(CO)CC1)[C@@H]1CCC[NH2+]1 ZINC000643459393 387836212 /nfs/dbraw/zinc/83/62/12/387836212.db2.gz XMPNRXNDDZXIMG-MNOVXSKESA-N 2 0 212.337 0.879 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCN1CCCC1=O ZINC000442774853 387836652 /nfs/dbraw/zinc/83/66/52/387836652.db2.gz DNIWCFIUNNGXTD-GHMZBOCLSA-N 2 0 225.336 0.278 20 0 BCADRP CC(C)C(=O)NCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423017830 387840741 /nfs/dbraw/zinc/84/07/41/387840741.db2.gz XFFMZDHTNSSKON-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCN1CCOCC1 ZINC000442789399 387840893 /nfs/dbraw/zinc/84/08/93/387840893.db2.gz ZDJJHNMMPUEHIM-STQMWFEESA-N 2 0 241.379 0.378 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCCN1CCOCC1 ZINC000442789394 387841596 /nfs/dbraw/zinc/84/15/96/387841596.db2.gz ZDJJHNMMPUEHIM-CHWSQXEVSA-N 2 0 241.379 0.378 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NCCOCC[NH+](C)C ZINC000423075740 387873766 /nfs/dbraw/zinc/87/37/66/387873766.db2.gz XSYFXSVQYJSBMQ-VXGBXAGGSA-N 2 0 229.368 0.152 20 0 BCADRP CC[NH+](CC)CCOCCNC(=O)C[NH+](C)C ZINC000442821837 387848287 /nfs/dbraw/zinc/84/82/87/387848287.db2.gz NJVATZSZOZDXIK-UHFFFAOYSA-N 2 0 245.367 0.023 20 0 BCADRP C[C@@H](NC[C@]1(O)CC[N@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423033441 387849702 /nfs/dbraw/zinc/84/97/02/387849702.db2.gz GRQNZEXYXHDOEF-FRRDWIJNSA-N 2 0 241.379 0.173 20 0 BCADRP C[NH+](C)CC(=O)N1CCN[C@@H](c2ccccc2)C1 ZINC000062622718 387854605 /nfs/dbraw/zinc/85/46/05/387854605.db2.gz OSTNQYDENQZVJD-CYBMUJFWSA-N 2 0 247.342 0.721 20 0 BCADRP CC[NH+](CC)CCN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193610516 387859861 /nfs/dbraw/zinc/85/98/61/387859861.db2.gz CKXLGPYNVMHITK-BETUJISGSA-N 2 0 225.380 0.822 20 0 BCADRP CC(C)CNC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193658049 387860279 /nfs/dbraw/zinc/86/02/79/387860279.db2.gz LUTRKPUJBRIFTO-TXEJJXNPSA-N 2 0 239.363 0.252 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534898 387861534 /nfs/dbraw/zinc/86/15/34/387861534.db2.gz FJWGISXWDRJDHL-WOPDTQHZSA-N 2 0 223.364 0.668 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534895 387861595 /nfs/dbraw/zinc/86/15/95/387861595.db2.gz FJWGISXWDRJDHL-GRYCIOLGSA-N 2 0 223.364 0.668 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423065174 387866823 /nfs/dbraw/zinc/86/68/23/387866823.db2.gz AXEZJJDORZBODG-QWHCGFSZSA-N 3 0 243.395 0.814 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000433122631 387866975 /nfs/dbraw/zinc/86/69/75/387866975.db2.gz WKNYRRFHJCZOLW-DCAQKATOSA-N 2 0 227.352 0.413 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](C[NH3+])C(C)C ZINC000433129772 387867039 /nfs/dbraw/zinc/86/70/39/387867039.db2.gz FITFTBDQFNLSAU-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP CO[C@H](C)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423061902 387867610 /nfs/dbraw/zinc/86/76/10/387867610.db2.gz RWNLYSSEJXSWQK-GMTAPVOTSA-N 2 0 200.326 0.999 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000423065811 387869668 /nfs/dbraw/zinc/86/96/68/387869668.db2.gz CMVNRLUWLAJDBX-STQMWFEESA-N 3 0 243.395 0.542 20 0 BCADRP C[C@@H]([NH3+])CN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000442656080 387815110 /nfs/dbraw/zinc/81/51/10/387815110.db2.gz DLVYBSPEKWZWSI-NEPJUHHUSA-N 2 0 249.362 0.724 20 0 BCADRP [NH3+]CC1(CC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000564075799 387819894 /nfs/dbraw/zinc/81/98/94/387819894.db2.gz TUPZCIFNPJBRHG-QWRGUYRKSA-N 2 0 239.363 0.749 20 0 BCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424181704 387897530 /nfs/dbraw/zinc/89/75/30/387897530.db2.gz RYKFVIFYEGHEGG-WYUUTHIRSA-N 2 0 237.347 0.276 20 0 BCADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1C[NH2+]CCO1 ZINC000424174157 387875776 /nfs/dbraw/zinc/87/57/76/387875776.db2.gz FURXHZHZCDLPIP-GFCCVEGCSA-N 2 0 247.298 0.217 20 0 BCADRP C[C@H](NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000643538344 387877185 /nfs/dbraw/zinc/87/71/85/387877185.db2.gz HHDPYVKDSARGCW-NAKRPEOUSA-N 2 0 215.316 0.417 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000643538755 387877850 /nfs/dbraw/zinc/87/78/50/387877850.db2.gz UOKUIIBRMGFDCF-DCAQKATOSA-N 2 0 217.332 0.794 20 0 BCADRP C[C@@H](NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000643538346 387878297 /nfs/dbraw/zinc/87/82/97/387878297.db2.gz HHDPYVKDSARGCW-VPOLOUISSA-N 2 0 215.316 0.417 20 0 BCADRP CC[C@@H]1CN(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])CCO1 ZINC000423085075 387879218 /nfs/dbraw/zinc/87/92/18/387879218.db2.gz JGDUDHLDGJNAAU-FRRDWIJNSA-N 2 0 243.395 0.813 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]1[NH2+]CC1(C)C)C1CC1 ZINC000645745885 387884138 /nfs/dbraw/zinc/88/41/38/387884138.db2.gz UFUHYSQVJAAULN-SNVBAGLBSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NCC[N@H+]1CC=CCC1 ZINC000423095244 387885918 /nfs/dbraw/zinc/88/59/18/387885918.db2.gz LTDVYGBIVFBPTD-CHWSQXEVSA-N 2 0 223.364 0.836 20 0 BCADRP Cc1cncn1CC(=O)N1CCN(C2CC2)CC1 ZINC000528268750 387889143 /nfs/dbraw/zinc/88/91/43/387889143.db2.gz UJWCQWPCBDWPHD-UHFFFAOYSA-N 2 0 248.330 0.498 20 0 BCADRP CC[C@@H]([NH2+]CC[C@](C)(O)COC)[C@@H]1CCC[NH2+]1 ZINC000423143462 387919801 /nfs/dbraw/zinc/91/98/01/387919801.db2.gz DEDWISWXCNXULK-AGIUHOORSA-N 2 0 244.379 0.894 20 0 BCADRP CC[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423133976 387911147 /nfs/dbraw/zinc/91/11/47/387911147.db2.gz QYROEHKQPCDSNT-OUAUKWLOSA-N 2 0 200.326 0.735 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](CO)CC1CCC1 ZINC000423136983 387914860 /nfs/dbraw/zinc/91/48/60/387914860.db2.gz VPZYBXGBZRTCMB-CHWSQXEVSA-N 2 0 244.379 0.881 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000424217950 387934875 /nfs/dbraw/zinc/93/48/75/387934875.db2.gz PKLFHNCJSACPDC-QJPTWQEYSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])ccn1 ZINC000424217929 387935474 /nfs/dbraw/zinc/93/54/74/387935474.db2.gz PIOVPIURWFWXBJ-VXGBXAGGSA-N 2 0 248.330 0.540 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)CC[NH3+])Cc1ccccc1 ZINC000237190480 387924809 /nfs/dbraw/zinc/92/48/09/387924809.db2.gz AVRJWRQNPLFRDH-ZDUSSCGKSA-N 2 0 249.358 0.624 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000237187586 387925211 /nfs/dbraw/zinc/92/52/11/387925211.db2.gz ZDIXTVKLIHXRLS-AAEUAGOBSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H]1CN(C(=O)C2(C[NH3+])CCCC2)CC[NH2+]1 ZINC000237572639 387926291 /nfs/dbraw/zinc/92/62/91/387926291.db2.gz FVZDKXNDATTXLO-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000423149578 387927857 /nfs/dbraw/zinc/92/78/57/387927857.db2.gz XUPNWBODHGOJFY-AVGNSLFASA-N 2 0 243.395 0.549 20 0 BCADRP CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C(=O)NC ZINC000423167612 387952075 /nfs/dbraw/zinc/95/20/75/387952075.db2.gz SPVPMYMPEFHELY-OUAUKWLOSA-N 2 0 227.352 0.618 20 0 BCADRP CCN1C[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])CC1=O ZINC000423158418 387938376 /nfs/dbraw/zinc/93/83/76/387938376.db2.gz WRUCLGACZUXLOB-LPEHRKFASA-N 2 0 213.325 0.323 20 0 BCADRP CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423158309 387939387 /nfs/dbraw/zinc/93/93/87/387939387.db2.gz NXOHJXNYLMOKNG-YVECIDJPSA-N 2 0 242.363 0.768 20 0 BCADRP COCC[N@H+](C)CCN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000156222960 387942618 /nfs/dbraw/zinc/94/26/18/387942618.db2.gz RKWKSVBYEUNOLE-STQMWFEESA-N 2 0 243.395 0.637 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+]CCN1CC=CCC1 ZINC000392289024 387950333 /nfs/dbraw/zinc/95/03/33/387950333.db2.gz MRTDZZHAXJNWFQ-GFCCVEGCSA-N 2 0 211.353 0.965 20 0 BCADRP CC[N@H+](C)CCN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000158784275 387962872 /nfs/dbraw/zinc/96/28/72/387962872.db2.gz FZFFEUOCBCYWMG-NWDGAFQWSA-N 2 0 213.369 0.868 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423196999 387981600 /nfs/dbraw/zinc/98/16/00/387981600.db2.gz XENIDKKPRFSLPM-WZRBSPASSA-N 2 0 223.364 0.811 20 0 BCADRP C[N@@H+]1CC[C@H](NCCC[NH3+])[C@@H]2CCC[C@@H]21 ZINC000423189180 387972974 /nfs/dbraw/zinc/97/29/74/387972974.db2.gz MRTYEZGPNSJSJA-SRVKXCTJSA-N 2 0 211.353 0.798 20 0 BCADRP Cc1ccnc([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000423200633 387987518 /nfs/dbraw/zinc/98/75/18/387987518.db2.gz GBHBBFVXHWVQBN-CYBMUJFWSA-N 2 0 248.374 0.946 20 0 BCADRP CC[C@H]1CC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423203120 387989004 /nfs/dbraw/zinc/98/90/04/387989004.db2.gz MAYJPLBHFIZAEK-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP CC[C@@H]1CC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423203122 387989032 /nfs/dbraw/zinc/98/90/32/387989032.db2.gz MAYJPLBHFIZAEK-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)[C@@H]1C[C@H]1C ZINC000423207426 387992969 /nfs/dbraw/zinc/99/29/69/387992969.db2.gz RLVOBHHSKYWJEK-UPJWGTAASA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H](NC[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423215326 387997736 /nfs/dbraw/zinc/99/77/36/387997736.db2.gz QJWMBNUWWYDFLR-IJLUTSLNSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H]([NH2+]CCCCS(C)(=O)=O)[C@H]1CCC[NH2+]1 ZINC000424375674 387999401 /nfs/dbraw/zinc/99/94/01/387999401.db2.gz KQLUETJBFQEOFV-GHMZBOCLSA-N 2 0 248.392 0.541 20 0 BCADRP C[C@H]([NH2+]CCCCS(C)(=O)=O)[C@H]1CCC[NH2+]1 ZINC000424375679 387999616 /nfs/dbraw/zinc/99/96/16/387999616.db2.gz KQLUETJBFQEOFV-WDEREUQCSA-N 2 0 248.392 0.541 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H]2CCC[NH2+]C2)C1 ZINC000423217482 387999893 /nfs/dbraw/zinc/99/98/93/387999893.db2.gz UGOFLYPCPCCUEY-RWMBFGLXSA-N 2 0 225.380 0.916 20 0 BCADRP CC[N@H+]1C[C@H](NC[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000423217483 388000485 /nfs/dbraw/zinc/00/04/85/388000485.db2.gz UGOFLYPCPCCUEY-XQQFMLRXSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)[C@@H]1CCC[NH2+]1 ZINC000424382321 388002049 /nfs/dbraw/zinc/00/20/49/388002049.db2.gz SADYGJSRXQFUQZ-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]CCN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423222209 388002800 /nfs/dbraw/zinc/00/28/00/388002800.db2.gz AFMOLAURXMYNRC-MXWKQRLJSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)[C@H]1C[NH3+] ZINC000446157215 388004633 /nfs/dbraw/zinc/00/46/33/388004633.db2.gz IDRIARYGFTWIQV-AXFHLTTASA-N 2 0 225.336 0.182 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000080993805 388005493 /nfs/dbraw/zinc/00/54/93/388005493.db2.gz FRFNDHLYENEHHE-GFCCVEGCSA-N 2 0 239.363 0.729 20 0 BCADRP CC[C@@H](Cn1cncn1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424371799 387996642 /nfs/dbraw/zinc/99/66/42/387996642.db2.gz GPXPLPVOXKYQPD-QJPTWQEYSA-N 2 0 237.351 0.916 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000246253145 388024680 /nfs/dbraw/zinc/02/46/80/388024680.db2.gz IHZFYMBRQOFPAR-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+]CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000423242925 388025512 /nfs/dbraw/zinc/02/55/12/388025512.db2.gz JQDKHFOXHBEUNR-QJPTWQEYSA-N 2 0 211.353 0.668 20 0 BCADRP C(N[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]1 ZINC000423234638 388019066 /nfs/dbraw/zinc/01/90/66/388019066.db2.gz MFNJDYAXWDZQRA-AVGNSLFASA-N 2 0 239.363 0.095 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000161966673 388032697 /nfs/dbraw/zinc/03/26/97/388032697.db2.gz JTAJVWPMXAOIMC-WCQYABFASA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1CCNC[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423250490 388033354 /nfs/dbraw/zinc/03/33/54/388033354.db2.gz QJIOSZOGKDGSFE-IJLUTSLNSA-N 2 0 211.353 0.574 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423250491 388034001 /nfs/dbraw/zinc/03/40/01/388034001.db2.gz QJIOSZOGKDGSFE-UTUOFQBUSA-N 2 0 211.353 0.574 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000161966910 388034595 /nfs/dbraw/zinc/03/45/95/388034595.db2.gz JTAJVWPMXAOIMC-AAEUAGOBSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]C[C@H](C)CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423256201 388037133 /nfs/dbraw/zinc/03/71/33/388037133.db2.gz BMMSIJQCHRXKFI-CYZMBNFOSA-N 2 0 241.379 0.199 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000423274884 388055406 /nfs/dbraw/zinc/05/54/06/388055406.db2.gz MKJJYEZGBAYFBX-HBNTYKKESA-N 2 0 200.326 0.999 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000453370172 388055882 /nfs/dbraw/zinc/05/58/82/388055882.db2.gz QPNJGTHSBWJSDV-LVEVGFFFSA-N 2 0 212.337 0.828 20 0 BCADRP CC[N@H+]1C[C@H](NC[C@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000423277349 388058370 /nfs/dbraw/zinc/05/83/70/388058370.db2.gz PXLXMLBCRWYYSP-WOPDTQHZSA-N 2 0 213.369 0.772 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423281594 388063904 /nfs/dbraw/zinc/06/39/04/388063904.db2.gz VUQBHAWDTGSWSD-QWRGUYRKSA-N 3 0 201.358 0.949 20 0 BCADRP CC(C)C[NH+]1CCC(NC(=O)C(C)(C)[NH3+])CC1 ZINC000083889461 388064981 /nfs/dbraw/zinc/06/49/81/388064981.db2.gz ADIXFBJPJOLLTI-UHFFFAOYSA-N 2 0 241.379 0.960 20 0 BCADRP CC[N@H+]1C[C@H](NC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000423285274 388068501 /nfs/dbraw/zinc/06/85/01/388068501.db2.gz YZPUEHKUKQQGMF-TUAOUCFPSA-N 2 0 213.369 0.900 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H](C[NH3+])C1CC1 ZINC000423285483 388069856 /nfs/dbraw/zinc/06/98/56/388069856.db2.gz YFXVYQBXCNSFPF-ICCXJUOJSA-N 2 0 223.364 0.796 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H]([NH3+])C(C)C)C1 ZINC000423285270 388069996 /nfs/dbraw/zinc/06/99/96/388069996.db2.gz YZPUEHKUKQQGMF-SDDRHHMPSA-N 2 0 213.369 0.900 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423295849 388078590 /nfs/dbraw/zinc/07/85/90/388078590.db2.gz FWMKJCVGXXGRNF-MFKMUULPSA-N 2 0 239.363 0.442 20 0 BCADRP CC[NH+](CC)CCNC(=O)CC1(C[NH3+])CC1 ZINC000423297363 388078890 /nfs/dbraw/zinc/07/88/90/388078890.db2.gz JZBJJWICGMOISS-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000085368460 388086257 /nfs/dbraw/zinc/08/62/57/388086257.db2.gz MOBNGBUJBDDESE-GRYCIOLGSA-N 2 0 237.347 0.420 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000646197035 388162340 /nfs/dbraw/zinc/16/23/40/388162340.db2.gz GBEZTVFQSBVEJP-QWRGUYRKSA-N 2 0 244.383 0.800 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000646197036 388162477 /nfs/dbraw/zinc/16/24/77/388162477.db2.gz GBEZTVFQSBVEJP-WDEREUQCSA-N 2 0 244.383 0.800 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000646204399 388163238 /nfs/dbraw/zinc/16/32/38/388163238.db2.gz WEQHIKKYEXGSGU-OPRDCNLKSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646203881 388164145 /nfs/dbraw/zinc/16/41/45/388164145.db2.gz AOYYKZJRXSEXHD-AXFHLTTASA-N 2 0 242.367 0.554 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(C)CCC[NH3+] ZINC000646215843 388166838 /nfs/dbraw/zinc/16/68/38/388166838.db2.gz KIILQKUCAWMSMF-RKDXNWHRSA-N 2 0 216.329 0.102 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000646216842 388167027 /nfs/dbraw/zinc/16/70/27/388167027.db2.gz ZZBHNDWCPZHHJY-GUBZILKMSA-N 2 0 228.340 0.102 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000646216793 388167217 /nfs/dbraw/zinc/16/72/17/388167217.db2.gz XTAHQCBEMHMXRG-NAKRPEOUSA-N 2 0 242.367 0.504 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC000449315607 388171703 /nfs/dbraw/zinc/17/17/03/388171703.db2.gz JGIYVBDSWAYOQC-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000646297881 388178059 /nfs/dbraw/zinc/17/80/59/388178059.db2.gz WMIRVVQPLDWRBK-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C)CC[NH3+] ZINC000449372203 388185253 /nfs/dbraw/zinc/18/52/53/388185253.db2.gz DKEXNRZVIFYSHA-NXEZZACHSA-N 2 0 229.368 0.864 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000449372080 388185278 /nfs/dbraw/zinc/18/52/78/388185278.db2.gz CCEZOURFYUDZQQ-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000163996244 388122340 /nfs/dbraw/zinc/12/23/40/388122340.db2.gz ZENHJIDROXTYSW-OUAUKWLOSA-N 2 0 212.337 0.972 20 0 BCADRP O=C(C[NH2+]C1CCCCC1)N1CC[NH2+]CC1 ZINC000082652448 388125403 /nfs/dbraw/zinc/12/54/03/388125403.db2.gz SJFHEJQBRWBREG-UHFFFAOYSA-N 2 0 225.336 0.341 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000646051004 388132653 /nfs/dbraw/zinc/13/26/53/388132653.db2.gz XDOCAKWUVSHKKG-NSHDSACASA-N 2 0 241.379 0.880 20 0 BCADRP CC(C)([NH3+])CC(=O)NCC[NH2+]C(C)(C)C ZINC000646050506 388133251 /nfs/dbraw/zinc/13/32/51/388133251.db2.gz HCNWGUQYDWUYLC-UHFFFAOYSA-N 2 0 215.341 0.618 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CC(C)(C)[NH3+] ZINC000646070708 388136713 /nfs/dbraw/zinc/13/67/13/388136713.db2.gz KTBMNYFTNPNLAK-QWRGUYRKSA-N 2 0 241.379 0.912 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000449061897 388137424 /nfs/dbraw/zinc/13/74/24/388137424.db2.gz WWRMWHNWVBKZQS-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000449065512 388137956 /nfs/dbraw/zinc/13/79/56/388137956.db2.gz ZMSKBUWYWWRXKU-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449079397 388140080 /nfs/dbraw/zinc/14/00/80/388140080.db2.gz YOBXJKQGDFXSCJ-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000449078814 388140085 /nfs/dbraw/zinc/14/00/85/388140085.db2.gz YTYOOZCJEMZDLV-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@H]1C ZINC000449084952 388140317 /nfs/dbraw/zinc/14/03/17/388140317.db2.gz JVJXRUYAHGMAPT-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000449085090 388140756 /nfs/dbraw/zinc/14/07/56/388140756.db2.gz KENNZTNJVBQFLQ-ONGXEEELSA-N 2 0 225.336 0.467 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@H]([NH3+])C1 ZINC000449095572 388141611 /nfs/dbraw/zinc/14/16/11/388141611.db2.gz ZMSKBUWYWWRXKU-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449099722 388141866 /nfs/dbraw/zinc/14/18/66/388141866.db2.gz OWYDPFGCJNBXCG-AXFHLTTASA-N 2 0 227.352 0.748 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[C@@H](C)[NH3+] ZINC000449098382 388142009 /nfs/dbraw/zinc/14/20/09/388142009.db2.gz JCSDMVFBOPNDDF-ZJUUUORDSA-N 2 0 229.368 0.864 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC[NH2+]CC ZINC000449102639 388142819 /nfs/dbraw/zinc/14/28/19/388142819.db2.gz KLFPONWVSMMLAE-SECBINFHSA-N 2 0 201.314 0.100 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646108531 388143932 /nfs/dbraw/zinc/14/39/32/388143932.db2.gz HHCCMRSGIIMPTQ-UWVGGRQHSA-N 2 0 227.352 0.441 20 0 BCADRP CC(C)(C[NH3+])NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449108401 388144160 /nfs/dbraw/zinc/14/41/60/388144160.db2.gz UPXKPTZHRZTAHS-ZJUUUORDSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000449115891 388144336 /nfs/dbraw/zinc/14/43/36/388144336.db2.gz NMQTXXKOVSISCG-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000449116976 388144604 /nfs/dbraw/zinc/14/46/04/388144604.db2.gz SCYCOMBUUURYTG-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000449121188 388145348 /nfs/dbraw/zinc/14/53/48/388145348.db2.gz GUVHKNHONMBNDP-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000449121189 388145395 /nfs/dbraw/zinc/14/53/95/388145395.db2.gz GUVHKNHONMBNDP-QJPTWQEYSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000449123759 388145557 /nfs/dbraw/zinc/14/55/57/388145557.db2.gz ORBZILNQLOPXII-HOSYDEDBSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000449120346 388145597 /nfs/dbraw/zinc/14/55/97/388145597.db2.gz CQYGVEPVYNJABO-JFGNBEQYSA-N 2 0 239.363 0.713 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000449127597 388145950 /nfs/dbraw/zinc/14/59/50/388145950.db2.gz WQSGEWLVZKMHAE-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000449125249 388146476 /nfs/dbraw/zinc/14/64/76/388146476.db2.gz IRCOSNOKGYBPPO-GHMZBOCLSA-N 2 0 241.379 0.864 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000449377375 388187010 /nfs/dbraw/zinc/18/70/10/388187010.db2.gz SOTITLROCJZLTA-GHMZBOCLSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449139402 388147585 /nfs/dbraw/zinc/14/75/85/388147585.db2.gz KYACLWOARSCSFR-UTUOFQBUSA-N 2 0 241.379 0.674 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000449144281 388148184 /nfs/dbraw/zinc/14/81/84/388148184.db2.gz SKPDWHHWYUVHMB-ONGXEEELSA-N 2 0 227.352 0.761 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000449179991 388154220 /nfs/dbraw/zinc/15/42/20/388154220.db2.gz XWAGCVKGKNRKAF-NOOOWODRSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449653579 388248592 /nfs/dbraw/zinc/24/85/92/388248592.db2.gz CKFWCSWJHWDHIX-CIUDSAMLSA-N 2 0 249.305 0.473 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449661529 388249356 /nfs/dbraw/zinc/24/93/56/388249356.db2.gz CKFWCSWJHWDHIX-VGMNWLOBSA-N 2 0 249.305 0.473 20 0 BCADRP CCn1nccc1CN(C)CCC[NH2+]C ZINC000164892313 388249640 /nfs/dbraw/zinc/24/96/40/388249640.db2.gz LFXHDXFXOROGMS-UHFFFAOYSA-N 2 0 210.325 0.944 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449661772 388249721 /nfs/dbraw/zinc/24/97/21/388249721.db2.gz DHOMPDGDQWLGNW-VIFPVBQESA-N 2 0 249.305 0.440 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449665132 388250283 /nfs/dbraw/zinc/25/02/83/388250283.db2.gz MQBQMTUOWGXXAW-IUCAKERBSA-N 2 0 249.305 0.331 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449662890 388250403 /nfs/dbraw/zinc/25/04/03/388250403.db2.gz HJYFRPICNJUEFT-VIFPVBQESA-N 2 0 249.305 0.442 20 0 BCADRP CN(C(=O)C[C@@H]1CCC[NH2+]1)C1(C[NH3+])CCC1 ZINC000449673093 388251105 /nfs/dbraw/zinc/25/11/05/388251105.db2.gz YQMNDXSAQHEBGQ-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP C[C@H](O)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000166161614 388254423 /nfs/dbraw/zinc/25/44/23/388254423.db2.gz UEOLLFJSHKLSEK-JQWIXIFHSA-N 2 0 212.337 0.689 20 0 BCADRP CC[C@@](C)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)OC ZINC000322988521 388258281 /nfs/dbraw/zinc/25/82/81/388258281.db2.gz CGJIVWQLTNACBF-OLZOCXBDSA-N 2 0 244.379 0.848 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCC(C)(C)CO ZINC000449409256 388189682 /nfs/dbraw/zinc/18/96/82/388189682.db2.gz SFDHBEUQVOYUFE-MNOVXSKESA-N 2 0 214.353 0.935 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449382513 388189873 /nfs/dbraw/zinc/18/98/73/388189873.db2.gz XIBQFABKDBTMDS-GRYCIOLGSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C)C[NH3+] ZINC000449392572 388193427 /nfs/dbraw/zinc/19/34/27/388193427.db2.gz KLBVZMHNKFHQQL-RKDXNWHRSA-N 2 0 215.341 0.474 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000449402234 388195612 /nfs/dbraw/zinc/19/56/12/388195612.db2.gz QEVXDAVEUSGCOX-ATZCPNFKSA-N 2 0 225.336 0.241 20 0 BCADRP C[NH+](C)CCCCNC(=O)C1([NH3+])CCC1 ZINC000088050954 256540437 /nfs/dbraw/zinc/54/04/37/256540437.db2.gz UZPSFSRTKAJYEB-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000489494612 388218382 /nfs/dbraw/zinc/21/83/82/388218382.db2.gz VMYPYLRDGVJMSS-NWDGAFQWSA-N 2 0 241.379 0.994 20 0 BCADRP C[NH2+]CCCN(C)C(=O)CC1(C[NH3+])CC1 ZINC000517933449 256555258 /nfs/dbraw/zinc/55/52/58/256555258.db2.gz FYJIUVCMSWWCSF-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000518180195 256561104 /nfs/dbraw/zinc/56/11/04/256561104.db2.gz LJMISSHBVYFSGL-HBNTYKKESA-N 2 0 225.336 0.454 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCNC[C@](C)(F)C1 ZINC000449578129 388237065 /nfs/dbraw/zinc/23/70/65/388237065.db2.gz ZKOGKFQQHMTWBQ-LBPRGKRZSA-N 2 0 245.342 0.488 20 0 BCADRP C[C@@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)[C@H](C)[NH3+] ZINC000449590648 388239011 /nfs/dbraw/zinc/23/90/11/388239011.db2.gz LLWSIJAEYKDTMH-OPQQBVKSSA-N 2 0 247.342 0.553 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449599824 388239950 /nfs/dbraw/zinc/23/99/50/388239950.db2.gz HRVNKSKRYZKYNB-HBNTYKKESA-N 2 0 227.352 0.713 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449599347 388240042 /nfs/dbraw/zinc/24/00/42/388240042.db2.gz GJDFLTWLFAIZTA-VGMNWLOBSA-N 2 0 201.314 0.356 20 0 BCADRP COCCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000164643313 388241856 /nfs/dbraw/zinc/24/18/56/388241856.db2.gz VRCWCNJNNQSDDA-QWRGUYRKSA-N 2 0 200.326 0.940 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000449611767 388243591 /nfs/dbraw/zinc/24/35/91/388243591.db2.gz YHNNEPOFKVPBLK-DMDPSCGWSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449623447 388244102 /nfs/dbraw/zinc/24/41/02/388244102.db2.gz LRRPFTUKRMLERJ-QMMMGPOBSA-N 2 0 237.294 0.425 20 0 BCADRP C[C@@]1(C(=O)N[C@H](CC[NH3+])C(F)F)CCCC[NH2+]1 ZINC000449619617 388244627 /nfs/dbraw/zinc/24/46/27/388244627.db2.gz CPMXUPARWPGNBZ-KCJUWKMLSA-N 2 0 249.305 0.617 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449640439 388247755 /nfs/dbraw/zinc/24/77/55/388247755.db2.gz BFEPTCZBFJZUFS-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000518980783 256640288 /nfs/dbraw/zinc/64/02/88/256640288.db2.gz KERWGJHTEDQDCW-WDEREUQCSA-N 2 0 241.379 0.947 20 0 BCADRP COCCOCCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000163426506 388287675 /nfs/dbraw/zinc/28/76/75/388287675.db2.gz LXVFVWSVHNUJRP-STQMWFEESA-N 2 0 244.379 0.969 20 0 BCADRP COCCOCC[NH2+]CC1([NH3+])CCC1 ZINC000261529903 135156678 /nfs/dbraw/zinc/15/66/78/135156678.db2.gz BSGTZUMCJNXTOM-UHFFFAOYSA-N 2 0 202.298 0.120 20 0 BCADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)/C=C\C[NH+](C)C ZINC000491883754 388326093 /nfs/dbraw/zinc/32/60/93/388326093.db2.gz LMIGQTQRNWMPAM-FOQNGQEVSA-N 2 0 239.363 0.514 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)/C=C/C[NH+](C)C ZINC000491890738 388326452 /nfs/dbraw/zinc/32/64/52/388326452.db2.gz IBMKDPPDSQSSHG-XUIVZRPNSA-N 2 0 227.352 0.561 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646336160 388261695 /nfs/dbraw/zinc/26/16/95/388261695.db2.gz JRPFSXAEDDPSHL-NEPJUHHUSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)o1 ZINC000646336042 388261878 /nfs/dbraw/zinc/26/18/78/388261878.db2.gz FYKLXDOJOMFVPR-KOLCDFICSA-N 2 0 249.314 0.562 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)co1 ZINC000646336261 388262079 /nfs/dbraw/zinc/26/20/79/388262079.db2.gz MAEZDJIDWSCCBF-BXKDBHETSA-N 2 0 249.314 0.562 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953299 388269403 /nfs/dbraw/zinc/26/94/03/388269403.db2.gz ONGZMFVVHITJGL-JTQLQIEISA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]CC1(CC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000646338734 388272671 /nfs/dbraw/zinc/27/26/71/388272671.db2.gz UBDCHUBEHWWXIV-MNOVXSKESA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CCC1 ZINC000646338521 388272962 /nfs/dbraw/zinc/27/29/62/388272962.db2.gz PFEFKGIFQGSJIB-ZJUUUORDSA-N 2 0 223.320 0.078 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)/C=C\C[NH+](C)C ZINC000492327242 388341614 /nfs/dbraw/zinc/34/16/14/388341614.db2.gz YXDVIESXZVOCSV-VURMDHGXSA-N 2 0 227.352 0.514 20 0 BCADRP C[C@]1(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC000646368087 388346771 /nfs/dbraw/zinc/34/67/71/388346771.db2.gz VKTNJLNCIGFKHN-WZRBSPASSA-N 2 0 237.347 0.054 20 0 BCADRP [NH3+][C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000516563027 388348680 /nfs/dbraw/zinc/34/86/80/388348680.db2.gz ONQDVFAOXDXHPA-NEPJUHHUSA-N 2 0 245.326 0.655 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)[NH+]1CCCC1 ZINC000646408515 388351851 /nfs/dbraw/zinc/35/18/51/388351851.db2.gz VYGQAFPKEGBWRL-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000646417776 388354421 /nfs/dbraw/zinc/35/44/21/388354421.db2.gz DSWVHMXNHDZWEW-GHMZBOCLSA-N 2 0 239.363 0.442 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)N1CC[NH+]2CCC1CC2 ZINC000646449876 388360105 /nfs/dbraw/zinc/36/01/05/388360105.db2.gz CLLHVEHTUOUKTP-LLVKDONJSA-N 2 0 237.347 0.293 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000572719335 388369668 /nfs/dbraw/zinc/36/96/68/388369668.db2.gz XBBIVXBKIMKYOB-GRYCIOLGSA-N 2 0 239.363 0.442 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000572719338 388369833 /nfs/dbraw/zinc/36/98/33/388369833.db2.gz XBBIVXBKIMKYOB-WOPDTQHZSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)(C[NH3+])NC(=O)c1ccnc(C[NH3+])c1 ZINC000519596985 256652503 /nfs/dbraw/zinc/65/25/03/256652503.db2.gz OFMKVMCJZZPIEC-UHFFFAOYSA-N 2 0 222.292 0.007 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000646533963 388376911 /nfs/dbraw/zinc/37/69/11/388376911.db2.gz ZDNLMZPNUYLUET-GHMZBOCLSA-N 2 0 239.363 0.395 20 0 BCADRP C[NH2+]Cc1cccc(NC(=O)[C@H](C)[NH2+]C)c1 ZINC000519607840 256653237 /nfs/dbraw/zinc/65/32/37/256653237.db2.gz HQJUQZFXXRLVNW-VIFPVBQESA-N 2 0 221.304 0.952 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CC[C@@H](C)C1 ZINC000524720920 388377166 /nfs/dbraw/zinc/37/71/66/388377166.db2.gz MTWXWQAXAWNALT-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000646533887 388377639 /nfs/dbraw/zinc/37/76/39/388377639.db2.gz NRFUPPHSMYLLOS-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000519654868 256655616 /nfs/dbraw/zinc/65/56/16/256655616.db2.gz WHUVFUSCJNYGAB-WGBDABJCSA-N 2 0 237.347 0.324 20 0 BCADRP COCC[NH2+]C1CCN(CC(C)(C)[NH3+])CC1 ZINC000572846150 388380481 /nfs/dbraw/zinc/38/04/81/388380481.db2.gz PRPWABNBDUTYCM-UHFFFAOYSA-N 2 0 229.368 0.424 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)C(F)F ZINC000519716459 256656385 /nfs/dbraw/zinc/65/63/85/256656385.db2.gz TXINBLKAQLCCHP-HTQZYQBOSA-N 2 0 235.278 0.227 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000236716324 388382415 /nfs/dbraw/zinc/38/24/15/388382415.db2.gz QCMZNZXZPLOVAQ-UWVGGRQHSA-N 2 0 213.325 0.167 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]C ZINC000236764495 388382934 /nfs/dbraw/zinc/38/29/34/388382934.db2.gz BCENZLDKVQAILS-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000572876634 388383317 /nfs/dbraw/zinc/38/33/17/388383317.db2.gz PSEJIWRBSXWLTJ-PWSUYJOCSA-N 2 0 227.352 0.620 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NCC[NH2+]CC ZINC000236796982 388383389 /nfs/dbraw/zinc/38/33/89/388383389.db2.gz JSYKPCLUEAISAE-VIFPVBQESA-N 2 0 201.314 0.230 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000236791230 388383824 /nfs/dbraw/zinc/38/38/24/388383824.db2.gz ODEKHSAWPYELHO-NSHDSACASA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)C1CC[NH2+]CC1 ZINC000572882428 388383807 /nfs/dbraw/zinc/38/38/07/388383807.db2.gz IIJCGIAJGIPSHQ-UHFFFAOYSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000646568577 388384643 /nfs/dbraw/zinc/38/46/43/388384643.db2.gz TZEKIQWQPFLUHS-GXSJLCMTSA-N 2 0 225.336 0.324 20 0 BCADRP CC[N@H+](CCNC(=O)C[NH2+]C)C(C)C ZINC000236858122 388384665 /nfs/dbraw/zinc/38/46/65/388384665.db2.gz ADXLDNHFPWEDQI-UHFFFAOYSA-N 2 0 201.314 0.052 20 0 BCADRP CC[N@H+](CCNC(=O)C[NH2+]CCOC)C(C)C ZINC000236858366 388385099 /nfs/dbraw/zinc/38/50/99/388385099.db2.gz IHZPPBXVBIBUIZ-UHFFFAOYSA-N 2 0 245.367 0.069 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)NC1CC[NH2+]CC1 ZINC000646573358 388386967 /nfs/dbraw/zinc/38/69/67/388386967.db2.gz WPHPVTAPRPLZPO-JTQLQIEISA-N 2 0 225.336 0.387 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000646578200 388387485 /nfs/dbraw/zinc/38/74/85/388387485.db2.gz PLRKNFROVOQLRQ-GHMZBOCLSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000646578202 388387585 /nfs/dbraw/zinc/38/75/85/388387585.db2.gz PLRKNFROVOQLRQ-QWRGUYRKSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000237065063 388388623 /nfs/dbraw/zinc/38/86/23/388388623.db2.gz JCJJZPMNYGAWTG-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH+](C)C ZINC000646604828 388393643 /nfs/dbraw/zinc/39/36/43/388393643.db2.gz MZLVAYUVQUMEQU-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP [NH3+]CC1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000646609146 388393963 /nfs/dbraw/zinc/39/39/63/388393963.db2.gz RRXYJZFBNHNURC-UHFFFAOYSA-N 2 0 225.336 0.455 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000646620032 388395892 /nfs/dbraw/zinc/39/58/92/388395892.db2.gz OQPMCQTUWARHKZ-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[C@H]1CCC[N@H+](CCNC(=O)C(C)(C)C[NH3+])C1 ZINC000237574989 388397163 /nfs/dbraw/zinc/39/71/63/388397163.db2.gz JGUPSTHVMZYOAH-NSHDSACASA-N 2 0 241.379 0.819 20 0 BCADRP C[C@@H](NC(=O)C[NH3+])C(C)(C)C[NH+](C)C ZINC000237588892 388397263 /nfs/dbraw/zinc/39/72/63/388397263.db2.gz IXLYEIFPFOPSEH-MRVPVSSYSA-N 2 0 201.314 0.038 20 0 BCADRP CN(C(=O)CC[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000646629490 388398233 /nfs/dbraw/zinc/39/82/33/388398233.db2.gz PYOMWPWHMPSRMX-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000646644569 388400470 /nfs/dbraw/zinc/40/04/70/388400470.db2.gz FMKJWMPUZSYGMU-SRVKXCTJSA-N 2 0 239.363 0.490 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)NC[C@H]1CCCC[NH2+]1 ZINC000646649546 388402182 /nfs/dbraw/zinc/40/21/82/388402182.db2.gz LCZAIQFRYMJTSF-NWDGAFQWSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]1CN(C(=O)/C=C/C[NH+](C)C)[C@@H](C)C[N@@H+]1C ZINC000492284498 388340142 /nfs/dbraw/zinc/34/01/42/388340142.db2.gz RAHSVDGSTJLTLQ-JIVBQCDMSA-N 2 0 239.363 0.655 20 0 BCADRP [NH3+][C@H](C(=O)NCC[C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000646730889 388441134 /nfs/dbraw/zinc/44/11/34/388441134.db2.gz IHUBXXVCBLQMSD-JQWIXIFHSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000646730867 388441240 /nfs/dbraw/zinc/44/12/40/388441240.db2.gz GOJBNMSEYZUHFH-MNOVXSKESA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+][C@H](C(=O)NCC[C@H]1CCC[NH2+]C1)C1CCC1 ZINC000646730890 388441288 /nfs/dbraw/zinc/44/12/88/388441288.db2.gz IHUBXXVCBLQMSD-PWSUYJOCSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@]1(C[NH3+])CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000336268641 388456285 /nfs/dbraw/zinc/45/62/85/388456285.db2.gz ZUXOZINYIKLTSO-NWDGAFQWSA-N 2 0 211.353 0.657 20 0 BCADRP COC(=O)[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309551809 388456321 /nfs/dbraw/zinc/45/63/21/388456321.db2.gz GELJUDBGEAYUOL-MXWKQRLJSA-N 2 0 226.320 0.479 20 0 BCADRP [NH3+]C[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000336268327 388456628 /nfs/dbraw/zinc/45/66/28/388456628.db2.gz UUDYIBVLHHKFPR-VXGBXAGGSA-N 2 0 211.353 0.657 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000649270790 388481135 /nfs/dbraw/zinc/48/11/35/388481135.db2.gz XRCZXGCCHKLZBQ-UWVGGRQHSA-N 2 0 227.352 0.522 20 0 BCADRP CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000336659601 388460209 /nfs/dbraw/zinc/46/02/09/388460209.db2.gz NHSZAFVSZUKJKN-GHMZBOCLSA-N 2 0 229.368 0.960 20 0 BCADRP C[C@H](O)[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000514861409 388460333 /nfs/dbraw/zinc/46/03/33/388460333.db2.gz FQHUSWVSACSWAE-RWMBFGLXSA-N 2 0 244.379 0.582 20 0 BCADRP C[C@H](O)[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000514861407 388460496 /nfs/dbraw/zinc/46/04/96/388460496.db2.gz FQHUSWVSACSWAE-AVGNSLFASA-N 2 0 244.379 0.582 20 0 BCADRP C[C@H](C[NH2+]C1CCOCC1)C[NH+](C)C ZINC000336686642 388462648 /nfs/dbraw/zinc/46/26/48/388462648.db2.gz LOXOZVQSHXDHML-SNVBAGLBSA-N 2 0 200.326 0.953 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])C(C)C ZINC000336710126 388466729 /nfs/dbraw/zinc/46/67/29/388466729.db2.gz SZGLCKPMSBJFPQ-DTWKUNHWSA-N 2 0 201.314 0.069 20 0 BCADRP C[N@H+](C[C@@H](O)CN1CCC[C@@](C)(O)C1)C1CC1 ZINC000336716926 388467454 /nfs/dbraw/zinc/46/74/54/388467454.db2.gz QDRIOYFHFKNRGM-CHWSQXEVSA-N 2 0 242.363 0.288 20 0 BCADRP C[C@@H]1C[C@H](C)N(Cc2cn(C)nn2)C[C@@H]1C[NH3+] ZINC000397439466 388469882 /nfs/dbraw/zinc/46/98/82/388469882.db2.gz DTVYTTJHPWOIRB-VWYCJHECSA-N 2 0 237.351 0.620 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)c1coc(C[NH3+])c1 ZINC000646753527 388474799 /nfs/dbraw/zinc/47/47/99/388474799.db2.gz DVDCNAFEABLOID-SNVBAGLBSA-N 2 0 239.319 0.842 20 0 BCADRP CC[C@@H](C(=O)NCC[NH2+]C1CC1)[NH+](CC)CC ZINC000649270738 388481885 /nfs/dbraw/zinc/48/18/85/388481885.db2.gz LCMMQEWWBSZZRY-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]C1CC1 ZINC000649270770 388481903 /nfs/dbraw/zinc/48/19/03/388481903.db2.gz SRQVUMRQHJCKAX-PHIMTYICSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H](C(=O)N1CCC(C[NH3+])CC1)[NH+](C)C ZINC000649268892 388478358 /nfs/dbraw/zinc/47/83/58/388478358.db2.gz GHTGKJORMVFGKL-VIFPVBQESA-N 2 0 213.325 0.134 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000646670279 388410818 /nfs/dbraw/zinc/41/08/18/388410818.db2.gz QTOHZZOFHFDCID-SNVBAGLBSA-N 2 0 244.298 0.755 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000646672855 388411521 /nfs/dbraw/zinc/41/15/21/388411521.db2.gz XBIGKSHDHOZWRR-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000646672794 388411626 /nfs/dbraw/zinc/41/16/26/388411626.db2.gz ONBSIXMGTUPGRV-VHSXEESVSA-N 2 0 225.336 0.195 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)CC(N)=O ZINC000165963823 388413154 /nfs/dbraw/zinc/41/31/54/388413154.db2.gz CXKPFEIBFKBMKX-MNOVXSKESA-N 2 0 245.367 0.197 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000646686820 388416259 /nfs/dbraw/zinc/41/62/59/388416259.db2.gz VHYRTFJEJHMNJO-GFCCVEGCSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000646688188 388416839 /nfs/dbraw/zinc/41/68/39/388416839.db2.gz YTROQOKXTQYBCP-GXSJLCMTSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000646688190 388416959 /nfs/dbraw/zinc/41/69/59/388416959.db2.gz YTROQOKXTQYBCP-MWLCHTKSSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000646697068 388418966 /nfs/dbraw/zinc/41/89/66/388418966.db2.gz UVDGVVURZACQBX-KOLCDFICSA-N 2 0 221.304 0.540 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NCC[C@H]2CC[NH2+]C2)o1 ZINC000646699015 388419911 /nfs/dbraw/zinc/41/99/11/388419911.db2.gz OCFQQLDNVUCQGD-SECBINFHSA-N 2 0 237.303 0.468 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000646713381 388426857 /nfs/dbraw/zinc/42/68/57/388426857.db2.gz IYSWHRLAESJPNR-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000573235628 388434740 /nfs/dbraw/zinc/43/47/40/388434740.db2.gz IWBLYBGMUWYGMZ-NAKRPEOUSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)(O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246029419 388436309 /nfs/dbraw/zinc/43/63/09/388436309.db2.gz XQMDIAPYVNXUII-QWRGUYRKSA-N 2 0 212.337 0.974 20 0 BCADRP CN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000646729213 388439015 /nfs/dbraw/zinc/43/90/15/388439015.db2.gz HPQXZGCMPHDSIW-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000517139850 388539086 /nfs/dbraw/zinc/53/90/86/388539086.db2.gz KNOGCDBRFPOZQI-DCAQKATOSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000517159455 388539378 /nfs/dbraw/zinc/53/93/78/388539378.db2.gz ROBTUSQIKMGOIE-GRYCIOLGSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000517139613 388539754 /nfs/dbraw/zinc/53/97/54/388539754.db2.gz LFZZRBMTSOZEKZ-GXSJLCMTSA-N 2 0 225.336 0.100 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000517159463 388540120 /nfs/dbraw/zinc/54/01/20/388540120.db2.gz ROBTUSQIKMGOIE-TUAOUCFPSA-N 2 0 212.337 0.689 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000517234327 388543540 /nfs/dbraw/zinc/54/35/40/388543540.db2.gz AKJAYUXXRGIPOY-SRVKXCTJSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000517235689 388544973 /nfs/dbraw/zinc/54/49/73/388544973.db2.gz XOMWDNFXTCRDNL-ZYUZMQFOSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000261532363 388546304 /nfs/dbraw/zinc/54/63/04/388546304.db2.gz AHLIZCMHGWHKRJ-UTLUCORTSA-N 2 0 213.325 0.132 20 0 BCADRP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000261532362 388546546 /nfs/dbraw/zinc/54/65/46/388546546.db2.gz AHLIZCMHGWHKRJ-KXUCPTDWSA-N 2 0 213.325 0.132 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CC(C)C ZINC000034754753 388482436 /nfs/dbraw/zinc/48/24/36/388482436.db2.gz KLHMAELHTCGRPJ-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@]1([NH2+]C[C@H](O)C[N@H+](C)C(C)C)CCOC1 ZINC000378736176 388489990 /nfs/dbraw/zinc/48/99/90/388489990.db2.gz GGVYBIXAQMQDTM-STQMWFEESA-N 2 0 244.379 0.846 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)NCCC[C@@H]1CCC[NH2+]1 ZINC000517235247 256820709 /nfs/dbraw/zinc/82/07/09/256820709.db2.gz JWWQAKWKOSOTCI-RYUDHWBXSA-N 2 0 239.363 0.777 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CC1CC[NH2+]CC1 ZINC000646777292 388497927 /nfs/dbraw/zinc/49/79/27/388497927.db2.gz QCCBZRDRKGPSFA-NSHDSACASA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CC[NH3+] ZINC000517234470 256820823 /nfs/dbraw/zinc/82/08/23/256820823.db2.gz ISMXPODVVSMZRR-JTQLQIEISA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H]1[C@H](C(=O)NCC2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000648932409 388505796 /nfs/dbraw/zinc/50/57/96/388505796.db2.gz SXICNWNZPNLZRR-GHMZBOCLSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000576821494 388506684 /nfs/dbraw/zinc/50/66/84/388506684.db2.gz OLSCSSDYVWQUSO-RCWTZXSCSA-N 2 0 242.367 0.409 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000646797096 388508324 /nfs/dbraw/zinc/50/83/24/388508324.db2.gz HBBKPLDQRAXKRC-MNOVXSKESA-N 2 0 237.347 0.611 20 0 BCADRP C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000516768527 388515547 /nfs/dbraw/zinc/51/55/47/388515547.db2.gz XICMJIJEDWBVPY-QJPTWQEYSA-N 2 0 239.363 0.633 20 0 BCADRP CO[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000517024495 256811978 /nfs/dbraw/zinc/81/19/78/256811978.db2.gz DDBYFVKOPQPVCY-GFCCVEGCSA-N 2 0 249.314 0.245 20 0 BCADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000346608337 388520853 /nfs/dbraw/zinc/52/08/53/388520853.db2.gz PKCKBXKGXMWLQS-RYUDHWBXSA-N 2 0 242.363 0.600 20 0 BCADRP O=C(C[NH2+][C@@H]1CCC12CCC2)N1CC[NH2+]CC1 ZINC000516861316 388521535 /nfs/dbraw/zinc/52/15/35/388521535.db2.gz OSQPCZPSZFCXNW-LLVKDONJSA-N 2 0 237.347 0.341 20 0 BCADRP CC(C)([NH3+])CC(=O)NC(C)(C)CCC[NH3+] ZINC000378863582 388527236 /nfs/dbraw/zinc/52/72/36/388527236.db2.gz VUQBGTAMYYBNGP-UHFFFAOYSA-N 2 0 215.341 0.748 20 0 BCADRP CO[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000516970670 388530192 /nfs/dbraw/zinc/53/01/92/388530192.db2.gz YTZFJYGFOXSVSS-JHJVBQTASA-N 2 0 241.379 0.424 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCO)[C@H](C)C1 ZINC000079462382 388534911 /nfs/dbraw/zinc/53/49/11/388534911.db2.gz BPXTWNGHMULXLK-GHMZBOCLSA-N 2 0 200.326 0.641 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649312653 388600885 /nfs/dbraw/zinc/60/08/85/388600885.db2.gz FHOLIKKDFQKPGD-GDNZZTSVSA-N 2 0 239.363 0.300 20 0 BCADRP COC[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186593738 388601436 /nfs/dbraw/zinc/60/14/36/388601436.db2.gz MJKBNRHLJOTTQT-QWHCGFSZSA-N 2 0 243.395 0.637 20 0 BCADRP C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000649314630 388602545 /nfs/dbraw/zinc/60/25/45/388602545.db2.gz HGRQIUIZNKYESH-ZMLRMANQSA-N 2 0 239.363 0.570 20 0 BCADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000649316701 388606294 /nfs/dbraw/zinc/60/62/94/388606294.db2.gz JLBYGIZGYFZYIA-LPWJVIDDSA-N 2 0 249.358 0.434 20 0 BCADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000649316702 388606558 /nfs/dbraw/zinc/60/65/58/388606558.db2.gz JLBYGIZGYFZYIA-XQHKEYJVSA-N 2 0 249.358 0.434 20 0 BCADRP CC(C)C(=O)NCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000358125725 388552989 /nfs/dbraw/zinc/55/29/89/388552989.db2.gz IOAAQHIFLBBEKF-RYUDHWBXSA-N 2 0 241.379 0.688 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)CCO1 ZINC000359322373 388556138 /nfs/dbraw/zinc/55/61/38/388556138.db2.gz MXUZCVLYVGGUDQ-VXGBXAGGSA-N 2 0 242.363 0.600 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000646823375 388558380 /nfs/dbraw/zinc/55/83/80/388558380.db2.gz ZOJVHKVWTZXQHU-GHMZBOCLSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000368611731 388569561 /nfs/dbraw/zinc/56/95/61/388569561.db2.gz DSROZCGHSRTCBS-KKOKHZNYSA-N 2 0 212.337 0.830 20 0 BCADRP C[C@@]1(C(=O)N2CCC(CC[NH3+])CC2)CC[NH2+]C1 ZINC000517387654 256825463 /nfs/dbraw/zinc/82/54/63/256825463.db2.gz GUPSCVASKUJMAO-CYBMUJFWSA-N 2 0 239.363 0.573 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@H]([NH3+])CC(F)F)C1CCCC1 ZINC000517569938 256828185 /nfs/dbraw/zinc/82/81/85/256828185.db2.gz UANWWOIDDRHIRD-BDAKNGLRSA-N 2 0 249.305 0.603 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649297730 388575569 /nfs/dbraw/zinc/57/55/69/388575569.db2.gz UGMBHUNOFOMPQF-FHUSYTEZSA-N 2 0 249.358 0.195 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649297540 388576080 /nfs/dbraw/zinc/57/60/80/388576080.db2.gz AMWTUIYQRHXHTL-SJHCENCUSA-N 2 0 249.358 0.480 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCCO)[C@@H](C)C1 ZINC000245421230 388577297 /nfs/dbraw/zinc/57/72/97/388577297.db2.gz HVIRELVYBCESBY-STQMWFEESA-N 2 0 244.379 0.657 20 0 BCADRP C[C@H]1NCC[N@H+](CC2CC[NH2+]CC2)[C@H]1C ZINC000261541469 388579993 /nfs/dbraw/zinc/57/99/93/388579993.db2.gz GADIZCQTGUNUAJ-MNOVXSKESA-N 2 0 211.353 0.668 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000521999029 388674159 /nfs/dbraw/zinc/67/41/59/388674159.db2.gz VPLCNAXDHKJJTG-GHMZBOCLSA-N 2 0 227.352 0.476 20 0 BCADRP CO[C@H](C)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000248413256 388679246 /nfs/dbraw/zinc/67/92/46/388679246.db2.gz FXUPILFFBFSEIT-MNOVXSKESA-N 2 0 200.326 0.905 20 0 BCADRP C(C1CCOCC1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000078570875 388682829 /nfs/dbraw/zinc/68/28/29/388682829.db2.gz SLASAZMRKWCCLM-RYUDHWBXSA-N 2 0 210.321 0.564 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000521628500 388620299 /nfs/dbraw/zinc/62/02/99/388620299.db2.gz JILMILMGRUMXRS-LVEVGFFFSA-N 2 0 239.363 0.556 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC(C)(COC)C1 ZINC000521643407 388621730 /nfs/dbraw/zinc/62/17/30/388621730.db2.gz DWYBVSUBDFWAEH-NSHDSACASA-N 2 0 230.352 0.267 20 0 BCADRP CCOC[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000530205209 388626236 /nfs/dbraw/zinc/62/62/36/388626236.db2.gz DQRZVRINRWVGKY-CYBMUJFWSA-N 2 0 242.363 0.723 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530219407 388631882 /nfs/dbraw/zinc/63/18/82/388631882.db2.gz LSCRFNDXMZFPOO-GRYCIOLGSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530219411 388631959 /nfs/dbraw/zinc/63/19/59/388631959.db2.gz LSCRFNDXMZFPOO-UTUOFQBUSA-N 2 0 223.364 0.811 20 0 BCADRP C[N@H+](C[C@H](O)C[NH3+])CC1CC(C)(C)C1 ZINC000530226165 388635775 /nfs/dbraw/zinc/63/57/75/388635775.db2.gz NVFWSGPIMVCXNC-SNVBAGLBSA-N 2 0 200.326 0.674 20 0 BCADRP COC(=O)C1(C[NH2+]CC(C)(C)[NH3+])CC1 ZINC000521874699 388637212 /nfs/dbraw/zinc/63/72/12/388637212.db2.gz BMSUPVPZLXCQID-UHFFFAOYSA-N 2 0 200.282 0.267 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000521876363 388638443 /nfs/dbraw/zinc/63/84/43/388638443.db2.gz ZNWHSPDKJKPYFT-VWYCJHECSA-N 2 0 227.352 0.476 20 0 BCADRP COC[C@H](O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222707548 388643255 /nfs/dbraw/zinc/64/32/55/388643255.db2.gz MEHACJLCGCGDMK-SDDRHHMPSA-N 2 0 230.352 0.456 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)[C@H]1C[NH3+] ZINC000246671329 388648395 /nfs/dbraw/zinc/64/83/95/388648395.db2.gz FKUHLYBTPJLSGH-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000530345493 388651305 /nfs/dbraw/zinc/65/13/05/388651305.db2.gz MUYWNGKYBWTBRJ-LBPRGKRZSA-N 2 0 241.379 0.738 20 0 BCADRP CCOCC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000564212314 388735682 /nfs/dbraw/zinc/73/56/82/388735682.db2.gz RSQGBPBNTWGPKJ-GFCCVEGCSA-N 2 0 242.363 0.710 20 0 BCADRP O=C(NCCC[NH2+]C1CC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000564215426 388748904 /nfs/dbraw/zinc/74/89/04/388748904.db2.gz YQUDTNQXECLNNP-AAEUAGOBSA-N 2 0 237.347 0.244 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000522185179 388717663 /nfs/dbraw/zinc/71/76/63/388717663.db2.gz BVWCCXCPSMFPJZ-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000128800868 388794844 /nfs/dbraw/zinc/79/48/44/388794844.db2.gz OXCHJIFDAHSHKY-HBNTYKKESA-N 2 0 225.336 0.515 20 0 BCADRP CC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000253028734 388797616 /nfs/dbraw/zinc/79/76/16/388797616.db2.gz PMLPREZNXTZJHF-GARJFASQSA-N 2 0 200.326 0.864 20 0 BCADRP C[NH+](C)CC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000230014438 388809589 /nfs/dbraw/zinc/80/95/89/388809589.db2.gz QYJRPERGEYPXPI-UHFFFAOYSA-N 2 0 249.358 0.926 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000252601878 388768255 /nfs/dbraw/zinc/76/82/55/388768255.db2.gz MRPQORNIVUZYEX-SRVKXCTJSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH+](C)C[C@@](C)(O)C[NH2+]C1CCOCC1 ZINC000228722197 388771175 /nfs/dbraw/zinc/77/11/75/388771175.db2.gz SVYJEWVMJWMNEH-NSHDSACASA-N 2 0 216.325 0.068 20 0 BCADRP COC[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000250485571 388790245 /nfs/dbraw/zinc/79/02/45/388790245.db2.gz YQEWDFQGNJLOBP-RYUDHWBXSA-N 2 0 212.337 0.954 20 0 BCADRP CCC[NH2+]CCNC(=O)CC[C@H](C)[NH3+] ZINC000193323996 388849614 /nfs/dbraw/zinc/84/96/14/388849614.db2.gz LHLQMGJJIVXECM-VIFPVBQESA-N 2 0 201.314 0.230 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000564836115 388893391 /nfs/dbraw/zinc/89/33/91/388893391.db2.gz DOKXOOILKCUZBD-GXSJLCMTSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]([NH3+])CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000194843966 388894866 /nfs/dbraw/zinc/89/48/66/388894866.db2.gz APUVODWXZCWDDP-JTQLQIEISA-N 2 0 235.331 0.825 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000564933870 388898109 /nfs/dbraw/zinc/89/81/09/388898109.db2.gz ZBQXCEKXZOHUMR-PWSUYJOCSA-N 2 0 225.336 0.326 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000564933045 388898405 /nfs/dbraw/zinc/89/84/05/388898405.db2.gz JSCOSKGSAMZZBQ-UTUOFQBUSA-N 2 0 237.347 0.196 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000564933039 388898448 /nfs/dbraw/zinc/89/84/48/388898448.db2.gz JSCOSKGSAMZZBQ-SRVKXCTJSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+]C1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000564941197 388899718 /nfs/dbraw/zinc/89/97/18/388899718.db2.gz GWOGKYVCWOLARW-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC000564949271 388900585 /nfs/dbraw/zinc/90/05/85/388900585.db2.gz YSMPKCTVPMXSIS-FIQHERPVSA-N 2 0 237.347 0.052 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCC1=CC[NH2+]CC1 ZINC000564950409 388901085 /nfs/dbraw/zinc/90/10/85/388901085.db2.gz CTYIQZDNOHLRDE-SECBINFHSA-N 2 0 223.320 0.163 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000564955389 388901319 /nfs/dbraw/zinc/90/13/19/388901319.db2.gz YUQUSJFBTRAZQR-OPRDCNLKSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000564950690 388901704 /nfs/dbraw/zinc/90/17/04/388901704.db2.gz LGOYKXJHZZECTP-BBBLOLIVSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H](NC(=O)c1csc(CC[NH3+])n1)[C@H](C)[NH3+] ZINC000564995750 388906370 /nfs/dbraw/zinc/90/63/70/388906370.db2.gz NQOFBHKLZCJZTO-NKWVEPMBSA-N 2 0 242.348 0.110 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000564994147 388906554 /nfs/dbraw/zinc/90/65/54/388906554.db2.gz NNLHJLDZCQHOGT-MXWKQRLJSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC(C)(C)CCC[NH3+] ZINC000564996099 388907037 /nfs/dbraw/zinc/90/70/37/388907037.db2.gz YKNMFPQCORAXFS-SECBINFHSA-N 2 0 227.352 0.761 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000565040648 388909804 /nfs/dbraw/zinc/90/98/04/388909804.db2.gz NSSHRDCFKPZOES-SDDRHHMPSA-N 2 0 239.363 0.524 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000565149187 388917892 /nfs/dbraw/zinc/91/78/92/388917892.db2.gz KPKXXRZHLXVCFT-OWNCLDLKSA-N 2 0 223.320 0.064 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C1(C[NH3+])CCCC1 ZINC000565003756 388904317 /nfs/dbraw/zinc/90/43/17/388904317.db2.gz ZSVPSINSOGYCAX-ZJUUUORDSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000564970142 388904493 /nfs/dbraw/zinc/90/44/93/388904493.db2.gz JCZVGIAGYPAORQ-NXEZZACHSA-N 2 0 237.351 0.758 20 0 BCADRP C[C@@H]([NH2+]CCOCC[NH3+])[C@@H]1CCCOC1 ZINC000564988429 388904904 /nfs/dbraw/zinc/90/49/04/388904904.db2.gz HAUQTJKITZVHLE-GHMZBOCLSA-N 2 0 216.325 0.366 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000565717545 388966456 /nfs/dbraw/zinc/96/64/56/388966456.db2.gz MJODGTGKLGXWGO-JQWIXIFHSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)c1ccnc(C[NH3+])c1 ZINC000565362210 388939035 /nfs/dbraw/zinc/93/90/35/388939035.db2.gz DMWFPSZZFRPETA-QMMMGPOBSA-N 2 0 222.292 0.007 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)CCCC[NH3+] ZINC000565364748 388940938 /nfs/dbraw/zinc/94/09/38/388940938.db2.gz KJOFDRGBHYMDRL-VIFPVBQESA-N 2 0 213.325 0.372 20 0 BCADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COCC)C1 ZINC000565416611 388943262 /nfs/dbraw/zinc/94/32/62/388943262.db2.gz FKLPHISZRFHDKZ-CHWSQXEVSA-N 2 0 244.379 0.705 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH3+])[C@H](C)C1 ZINC000262672357 388945653 /nfs/dbraw/zinc/94/56/53/388945653.db2.gz PFISQAIHJLOXSU-MXWKQRLJSA-N 2 0 227.352 0.522 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC[NH2+]C(C)(C)C ZINC000565831661 388972376 /nfs/dbraw/zinc/97/23/76/388972376.db2.gz BBRWZVOVJZNCOT-SECBINFHSA-N 2 0 215.341 0.346 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000565833901 388972889 /nfs/dbraw/zinc/97/28/89/388972889.db2.gz UHZZJUCPUNADNK-AGIUHOORSA-N 2 0 223.364 0.670 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](CO)CC(F)F)C1 ZINC000566020381 388984714 /nfs/dbraw/zinc/98/47/14/388984714.db2.gz NULNLSPMAMYXNB-IWSPIJDZSA-N 2 0 222.279 0.862 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCN1CCO[C@H](C)C1 ZINC000566069134 388985941 /nfs/dbraw/zinc/98/59/41/388985941.db2.gz WRIUHTPNRSHROP-UPJWGTAASA-N 2 0 241.379 0.376 20 0 BCADRP CC[NH2+]CCC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000566088207 388986179 /nfs/dbraw/zinc/98/61/79/388986179.db2.gz KDESJCSMJPYLKM-SNVBAGLBSA-N 2 0 227.352 0.633 20 0 BCADRP C[C@@H]1CC2(C[N@@H+]1Cc1nncn1C)CC[NH2+]CC2 ZINC000566096430 388987295 /nfs/dbraw/zinc/98/72/95/388987295.db2.gz QVCSFXFUKWQRQU-LLVKDONJSA-N 2 0 249.362 0.779 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@H](COC)OC)CC1 ZINC000227716074 535474175 /nfs/dbraw/zinc/47/41/75/535474175.db2.gz JTCQZYDMJIALPU-GFCCVEGCSA-N 2 0 230.352 0.722 20 0 BCADRP C([C@H]1CCOC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261535702 533378090 /nfs/dbraw/zinc/37/80/90/533378090.db2.gz PCHQMAAFDZHCGV-GRYCIOLGSA-N 2 0 210.321 0.564 20 0 BCADRP Cc1cc(N2CC[NH+](C[C@H](C)O)CC2)cc[nH+]1 ZINC000276827513 132206808 /nfs/dbraw/zinc/20/68/08/132206808.db2.gz UTGSJZGIRHYDQX-LBPRGKRZSA-N 2 0 235.331 0.893 20 0 BCADRP C[NH2+]CC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000378189343 132290163 /nfs/dbraw/zinc/29/01/63/132290163.db2.gz XDTNBHBGWJLMHF-UHFFFAOYSA-N 2 0 233.315 0.644 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000156742179 133472407 /nfs/dbraw/zinc/47/24/07/133472407.db2.gz IVOOXPXOLGONRH-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]CC1)N[C@@H]1CCC[NH2+]C1 ZINC000334196330 133582631 /nfs/dbraw/zinc/58/26/31/133582631.db2.gz ZYFFHLGFTGKACE-VXGBXAGGSA-N 2 0 239.363 0.634 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000334207950 133586655 /nfs/dbraw/zinc/58/66/55/133586655.db2.gz LLIRXFYIGNNBLO-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](O)C(C)(C)[NH2+]CC1CC[NH2+]CC1 ZINC000220390840 133672468 /nfs/dbraw/zinc/67/24/68/133672468.db2.gz DSMFZHKMQKZTHE-VIFPVBQESA-N 2 0 200.326 0.735 20 0 BCADRP C([C@H]1CCC[NH2+]C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347068055 133801638 /nfs/dbraw/zinc/80/16/38/133801638.db2.gz NKTRCJRWQHLAQL-XQQFMLRXSA-N 2 0 223.364 0.812 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335276563 133822003 /nfs/dbraw/zinc/82/20/03/133822003.db2.gz NWYBLPDKLKHCIW-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP C(C1CC[NH2+]CC1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335448370 133848972 /nfs/dbraw/zinc/84/89/72/133848972.db2.gz ONBUGCGPHDFUMV-UHFFFAOYSA-N 3 0 223.364 0.814 20 0 BCADRP C([C@H]1CCC[NH2+]C1)N1CCC2(CC[NH2+]2)CC1 ZINC000335449208 133849774 /nfs/dbraw/zinc/84/97/74/133849774.db2.gz YFERUNVHSZZOEL-LBPRGKRZSA-N 2 0 223.364 0.814 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000335471020 133878611 /nfs/dbraw/zinc/87/86/11/133878611.db2.gz ARHKZTPKUYLEGM-AOOOYVTPSA-N 2 0 219.288 0.821 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000335890057 133951678 /nfs/dbraw/zinc/95/16/78/133951678.db2.gz DOGWKUOUJPXVDL-GWCFXTLKSA-N 2 0 239.363 0.572 20 0 BCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C3([NH3+])CC3)CC[C@@H]21 ZINC000167521395 134002352 /nfs/dbraw/zinc/00/23/52/134002352.db2.gz UBZGJGYVHUHOCN-QWRGUYRKSA-N 2 0 237.347 0.420 20 0 BCADRP CCN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000335953737 134022534 /nfs/dbraw/zinc/02/25/34/134022534.db2.gz HHBHLTSUKMZUQN-VXGBXAGGSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CC[NH2+]CC1 ZINC000336003941 134048433 /nfs/dbraw/zinc/04/84/33/134048433.db2.gz BYBWAYCTNHKULP-RYUDHWBXSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000336115278 134088402 /nfs/dbraw/zinc/08/84/02/134088402.db2.gz FWZGJFSSDMZJJI-NSHDSACASA-N 2 0 239.363 0.703 20 0 BCADRP CC[C@@]1(C(=O)N2CC[C@](C)(C[NH3+])C2)CCC[NH2+]1 ZINC000336125206 134092583 /nfs/dbraw/zinc/09/25/83/134092583.db2.gz MCXYUVJVCXZPGH-OLZOCXBDSA-N 2 0 239.363 0.716 20 0 BCADRP CC[NH+](CCC[N@@H+](CC)C[C@@H](C)O)C[C@H](C)O ZINC000352220529 134109005 /nfs/dbraw/zinc/10/90/05/134109005.db2.gz IFBKPKMKTKTJGZ-BETUJISGSA-N 2 0 246.395 0.782 20 0 BCADRP CN(C(=O)C[C@@H]1CCCC[C@@H]1[NH3+])C1CC([NH3+])C1 ZINC000336211912 134134465 /nfs/dbraw/zinc/13/44/65/134134465.db2.gz PBQSHLRDOBKHNI-XKGSQUFQSA-N 2 0 239.363 0.842 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1([NH3+])CCC1 ZINC000336213353 134135629 /nfs/dbraw/zinc/13/56/29/134135629.db2.gz NRHZXORENDBSKJ-ONGXEEELSA-N 2 0 237.347 0.467 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000167896488 134154782 /nfs/dbraw/zinc/15/47/82/134154782.db2.gz ZJGORJDUSXVJAH-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)CC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000167926814 134154892 /nfs/dbraw/zinc/15/48/92/134154892.db2.gz YZJSWRVFSBDBRT-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)CC[NH+](C)C ZINC000353455567 134163898 /nfs/dbraw/zinc/16/38/98/134163898.db2.gz YHFZIEJXFKBTQM-UTUOFQBUSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000169809165 134251816 /nfs/dbraw/zinc/25/18/16/134251816.db2.gz FECISGQEKDKAGU-CMPLNLGQSA-N 2 0 233.315 0.507 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000170786929 134254260 /nfs/dbraw/zinc/25/42/60/134254260.db2.gz JMOPRCGYUUJHOU-ZJUUUORDSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000218868814 134265554 /nfs/dbraw/zinc/26/55/54/134265554.db2.gz KFNLIKCSVREANL-BDAKNGLRSA-N 2 0 213.325 0.180 20 0 BCADRP CCC[N@H+](C)CC(=O)NCCC[NH+](C)C ZINC000172819808 134269903 /nfs/dbraw/zinc/26/99/03/134269903.db2.gz WVZUIVJATRNPQT-UHFFFAOYSA-N 2 0 215.341 0.396 20 0 BCADRP [NH3+][C@@H](C(=O)N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000178266470 134305808 /nfs/dbraw/zinc/30/58/08/134305808.db2.gz FNSHXVZQVTWOBD-WDEREUQCSA-N 2 0 219.288 0.246 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000178407607 134310100 /nfs/dbraw/zinc/31/01/00/134310100.db2.gz RGCMIHLVNHLCMD-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000178407619 134310122 /nfs/dbraw/zinc/31/01/22/134310122.db2.gz RGCMIHLVNHLCMD-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747181 134310720 /nfs/dbraw/zinc/31/07/20/134310720.db2.gz BCSWSDVVEAKFEP-GFCCVEGCSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000178735935 134310999 /nfs/dbraw/zinc/31/09/99/134310999.db2.gz MUGONMNJIRCCPC-GHMZBOCLSA-N 2 0 225.336 0.420 20 0 BCADRP COC1CC([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000220889605 134313392 /nfs/dbraw/zinc/31/33/92/134313392.db2.gz BHXHYJPWRNSUMI-MOENNCHZSA-N 2 0 228.336 0.210 20 0 BCADRP CCCN(C(=O)C[C@@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000178927161 134313508 /nfs/dbraw/zinc/31/35/08/134313508.db2.gz JWKVWWMSIRFKTB-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP CN(C(=O)CC1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000179089782 134314694 /nfs/dbraw/zinc/31/46/94/134314694.db2.gz UURWTLNWVVZLFT-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220947516 134315301 /nfs/dbraw/zinc/31/53/01/134315301.db2.gz ARZUJHBUGDKXMT-YNEHKIRRSA-N 2 0 242.363 0.410 20 0 BCADRP C[C@@H]1C[C@@H](N(C)C(=O)CCC[NH3+])CC[N@@H+]1C ZINC000178816119 134315454 /nfs/dbraw/zinc/31/54/54/134315454.db2.gz SMDSNDWVJDQHSV-MNOVXSKESA-N 2 0 227.352 0.666 20 0 BCADRP C[C@H](CO)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000222660190 134333741 /nfs/dbraw/zinc/33/37/41/134333741.db2.gz KJBSCQSYMALURO-DCAQKATOSA-N 2 0 200.326 0.545 20 0 BCADRP C[C@H](O)CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000223584793 134340345 /nfs/dbraw/zinc/34/03/45/134340345.db2.gz LIKSHQMZLVBYJP-DCAQKATOSA-N 2 0 200.326 0.687 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CO)[C@@H](C)C1 ZINC000224299622 134346089 /nfs/dbraw/zinc/34/60/89/134346089.db2.gz BYPJZLPKGFKBCN-DCAQKATOSA-N 2 0 200.326 0.687 20 0 BCADRP C[NH+](C)CCOCC[NH2+]C[C@@H]1CCSC1 ZINC000226387714 134365371 /nfs/dbraw/zinc/36/53/71/134365371.db2.gz BWZVDXYVXKFFGE-NSHDSACASA-N 2 0 232.393 0.907 20 0 BCADRP CO[C@@H](C[NH3+])C(=O)N(CC[NH+](C)C)CC(C)C ZINC000227368927 134378381 /nfs/dbraw/zinc/37/83/81/134378381.db2.gz QUCYVVPXGBHPPO-NSHDSACASA-N 2 0 245.367 0.006 20 0 BCADRP C[NH+](C)CC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185450568 134380502 /nfs/dbraw/zinc/38/05/02/134380502.db2.gz OSMUXAXBKKSSLY-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000227458323 134384461 /nfs/dbraw/zinc/38/44/61/134384461.db2.gz AFZNZXOUAQGLLL-IJLUTSLNSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]1C[C@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)CC[NH2+]1 ZINC000235363743 134592511 /nfs/dbraw/zinc/59/25/11/134592511.db2.gz ADBNJBKMMCRFDJ-GRYCIOLGSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000235423983 134592530 /nfs/dbraw/zinc/59/25/30/134592530.db2.gz QINQRFGMXWSBTH-GMTAPVOTSA-N 2 0 227.352 0.298 20 0 BCADRP CC[C@@]1(C(=O)N2CCC[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000134366675 134708237 /nfs/dbraw/zinc/70/82/37/134708237.db2.gz YMJVFDVPFJOITL-YPMHNXCESA-N 2 0 239.363 0.716 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000059931522 134791677 /nfs/dbraw/zinc/79/16/77/134791677.db2.gz JNFGGLDDRHUSFE-JTQLQIEISA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+][C@H]1CCC[C@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000195221451 134838933 /nfs/dbraw/zinc/83/89/33/134838933.db2.gz KFRCXVRAYFDZIQ-YFKTTZPYSA-N 2 0 237.347 0.182 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000248665842 135018260 /nfs/dbraw/zinc/01/82/60/135018260.db2.gz WIUINXFEVXUODW-ZDCRXTMVSA-N 2 0 225.336 0.310 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248665509 135018504 /nfs/dbraw/zinc/01/85/04/135018504.db2.gz WEXQVIXYAIJQQY-XWLWVQCSSA-N 2 0 239.363 0.556 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248573775 135020656 /nfs/dbraw/zinc/02/06/56/135020656.db2.gz DDVJVYFATFBBIH-XWLWVQCSSA-N 2 0 225.336 0.038 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000248857296 135023976 /nfs/dbraw/zinc/02/39/76/135023976.db2.gz LGHKLMXHRLRQAP-IVZWLZJFSA-N 2 0 213.325 0.323 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)C[NH3+])C1 ZINC000250208405 135050731 /nfs/dbraw/zinc/05/07/31/135050731.db2.gz CGJLNBXIIXGZMU-ZJUUUORDSA-N 2 0 213.325 0.039 20 0 BCADRP C[C@H](O)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251041615 135061879 /nfs/dbraw/zinc/06/18/79/135061879.db2.gz LLMDEEHJTSSGNA-BJDJZHNGSA-N 2 0 212.337 0.972 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251193615 135066510 /nfs/dbraw/zinc/06/65/10/135066510.db2.gz JNABZFOLBXJJQB-TUAOUCFPSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1C[NH2+]CCN1CC[C@H]1CCC[NH2+]C1 ZINC000251611050 135072649 /nfs/dbraw/zinc/07/26/49/135072649.db2.gz DMIXMQCSUZVZQA-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP [NH3+][C@H](C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000237982848 135074061 /nfs/dbraw/zinc/07/40/61/135074061.db2.gz FNSHXVZQVTWOBD-MNOVXSKESA-N 2 0 219.288 0.246 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000251739090 135076660 /nfs/dbraw/zinc/07/66/60/135076660.db2.gz CSBZQVLPBFQWOV-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1C[N@H+](CCOCC[NH3+])CC(C)(C)O1 ZINC000086435610 135084166 /nfs/dbraw/zinc/08/41/66/135084166.db2.gz FJSGYSHDEQBDHB-SNVBAGLBSA-N 2 0 216.325 0.461 20 0 BCADRP C[C@@H]1CSCC[N@@H+]1CCOCC[NH3+] ZINC000086435814 135084228 /nfs/dbraw/zinc/08/42/28/135084228.db2.gz XZKUYFJJRZHDJO-SECBINFHSA-N 2 0 204.339 0.399 20 0 BCADRP CC[N@H+](CCOCC[NH3+])C[C@H]1CCCO1 ZINC000086435491 135084271 /nfs/dbraw/zinc/08/42/71/135084271.db2.gz FCOQCUVWKDNXKU-LLVKDONJSA-N 2 0 216.325 0.463 20 0 BCADRP C[C@H]1C[N@H+](CCOCC[NH3+])CC(C)(C)O1 ZINC000086435611 135084548 /nfs/dbraw/zinc/08/45/48/135084548.db2.gz FJSGYSHDEQBDHB-JTQLQIEISA-N 2 0 216.325 0.461 20 0 BCADRP C[NH+](C)CC1CC[NH+](CCOCC[NH3+])CC1 ZINC000086435533 135084765 /nfs/dbraw/zinc/08/47/65/135084765.db2.gz HMQNXQNVUCUIPD-UHFFFAOYSA-N 3 0 229.368 0.235 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C)CCO2)CC[N@@H+]1C ZINC000252210418 135086935 /nfs/dbraw/zinc/08/69/35/135086935.db2.gz XZMRGPZWUMIJBC-AGIUHOORSA-N 2 0 241.379 0.389 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)C[C@H](C)[NH3+])C1 ZINC000252440010 135088803 /nfs/dbraw/zinc/08/88/03/135088803.db2.gz VXSQCQOFBYSDOU-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCC(=O)NC1 ZINC000252447639 135089729 /nfs/dbraw/zinc/08/97/29/135089729.db2.gz NCIBPKFXBZASDC-WISYIIOYSA-N 2 0 239.363 0.583 20 0 BCADRP COC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000252464840 135090460 /nfs/dbraw/zinc/09/04/60/135090460.db2.gz MWDXAOQTVWLLLE-DDHJBXDOSA-N 2 0 230.352 0.312 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)CO)[C@H](C)C1 ZINC000252708593 135098020 /nfs/dbraw/zinc/09/80/20/135098020.db2.gz AMSMNRKEOMHBLC-TUAOUCFPSA-N 2 0 214.353 0.935 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000252709195 135098084 /nfs/dbraw/zinc/09/80/84/135098084.db2.gz CGIFUJONGZLMAW-IJLUTSLNSA-N 2 0 244.404 0.784 20 0 BCADRP C[C@H](CO)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252711707 135099041 /nfs/dbraw/zinc/09/90/41/135099041.db2.gz KJBSCQSYMALURO-AXFHLTTASA-N 2 0 200.326 0.545 20 0 BCADRP C[NH2+]CCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000086929837 135103365 /nfs/dbraw/zinc/10/33/65/135103365.db2.gz MDFOQUWWQSQKPU-GFCCVEGCSA-N 2 0 211.353 0.766 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCC[NH+](C)C ZINC000087121772 135107512 /nfs/dbraw/zinc/10/75/12/135107512.db2.gz PUXBAOVFEQPSLB-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000252844483 135112671 /nfs/dbraw/zinc/11/26/71/135112671.db2.gz DOQZBQIDZFEGDS-RWMBFGLXSA-N 2 0 234.347 0.979 20 0 BCADRP COC(=O)CCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252848064 135113144 /nfs/dbraw/zinc/11/31/44/135113144.db2.gz GKGTVZTYFKPGBH-SDDRHHMPSA-N 2 0 240.347 0.999 20 0 BCADRP COC[C@H](C)[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253196017 135123682 /nfs/dbraw/zinc/12/36/82/135123682.db2.gz SGHOMHGISUMJJO-GARJFASQSA-N 2 0 200.326 0.938 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCCO ZINC000253283537 135126452 /nfs/dbraw/zinc/12/64/52/135126452.db2.gz MCSXLZAGVWFVQI-GHMZBOCLSA-N 2 0 200.326 0.689 20 0 BCADRP Cn1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000257651338 135138527 /nfs/dbraw/zinc/13/85/27/135138527.db2.gz DJRZYKLSFVLFRK-UHFFFAOYSA-N 2 0 234.347 0.996 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@H]([NH3+])C1 ZINC000257697831 135140084 /nfs/dbraw/zinc/14/00/84/135140084.db2.gz NLFJEJOSPQIOQD-NWDGAFQWSA-N 2 0 239.363 0.811 20 0 BCADRP c1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)n[nH]1 ZINC000257730626 135140665 /nfs/dbraw/zinc/14/06/65/135140665.db2.gz XBSXKKXVGNEWPR-UHFFFAOYSA-N 2 0 220.320 0.985 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000260219623 135147725 /nfs/dbraw/zinc/14/77/25/135147725.db2.gz VZGYLIOQWPEORO-NEPJUHHUSA-N 2 0 240.347 0.966 20 0 BCADRP Cc1n[nH]cc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261545708 135150318 /nfs/dbraw/zinc/15/03/18/135150318.db2.gz KERXZRKXILKGAW-WPRPVWTQSA-N 2 0 208.309 0.887 20 0 BCADRP C[C@@H]1COCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261545765 135151124 /nfs/dbraw/zinc/15/11/24/135151124.db2.gz KJBFMBFCAJKYIX-RYUDHWBXSA-N 2 0 212.337 0.954 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000261530625 135158035 /nfs/dbraw/zinc/15/80/35/135158035.db2.gz CVNYTZOBEZKMQO-BDAKNGLRSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)C[NH+](C)C ZINC000261531384 135159802 /nfs/dbraw/zinc/15/98/02/135159802.db2.gz GHPAFSGKIBGNRX-YWVKMMECSA-N 2 0 213.325 0.051 20 0 BCADRP C([C@@H]1CCOC1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261532059 135162044 /nfs/dbraw/zinc/16/20/44/135162044.db2.gz IYRAEGPLEMPERM-TUAOUCFPSA-N 2 0 210.321 0.707 20 0 BCADRP COC(=O)[C@H]1CCCN(CC(C)(C)[NH3+])C1 ZINC000261532274 135162332 /nfs/dbraw/zinc/16/23/32/135162332.db2.gz AAZWRTBWENFGER-VIFPVBQESA-N 2 0 214.309 0.609 20 0 BCADRP C[N@H+](CC1(CO)CC1)C[C@]1(C)CC[NH2+]C1 ZINC000261532520 135163207 /nfs/dbraw/zinc/16/32/07/135163207.db2.gz ALKJYJJZNKZZRM-LLVKDONJSA-N 2 0 212.337 0.690 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C(C)(C)[NH3+] ZINC000261533836 135165982 /nfs/dbraw/zinc/16/59/82/135165982.db2.gz LITBTDHAROVUFW-MRVPVSSYSA-N 2 0 201.314 0.357 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000261534175 135167044 /nfs/dbraw/zinc/16/70/44/135167044.db2.gz NYLCQAUHIAQXSK-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP Cc1ccc(O)c(CN2C[C@@H](C)[C@H]([NH3+])C2)n1 ZINC000261534305 135167245 /nfs/dbraw/zinc/16/72/45/135167245.db2.gz PRCWMBQKJHCJSI-PSASIEDQSA-N 2 0 221.304 0.875 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000261536771 135172457 /nfs/dbraw/zinc/17/24/57/135172457.db2.gz SWAQBDIGVOVWFR-WPRPVWTQSA-N 2 0 201.314 0.213 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000261538687 135176668 /nfs/dbraw/zinc/17/66/68/135176668.db2.gz YYFOWCHQQAGIFT-BDAKNGLRSA-N 2 0 201.314 0.084 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(C)(C)C[NH3+] ZINC000261539112 135177131 /nfs/dbraw/zinc/17/71/31/135177131.db2.gz BPRVBMJXJGXZTE-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000261539352 135177756 /nfs/dbraw/zinc/17/77/56/135177756.db2.gz CEUZSGZCLXWSJZ-GRYCIOLGSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000261539355 135177952 /nfs/dbraw/zinc/17/79/52/135177952.db2.gz CEUZSGZCLXWSJZ-UTUOFQBUSA-N 2 0 211.353 0.668 20 0 BCADRP CC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H]1O ZINC000261539796 135178939 /nfs/dbraw/zinc/17/89/39/135178939.db2.gz DDTZQKOGGKUYAH-VXGBXAGGSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@@H]1[NH2+]CCN(C[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000261540244 135179623 /nfs/dbraw/zinc/17/96/23/135179623.db2.gz DWDVWGCDROPZLJ-SDDRHHMPSA-N 2 0 211.353 0.668 20 0 BCADRP CC(C)(C)[C@H](CO)[NH2+]CC1CC[NH2+]CC1 ZINC000261544248 135185540 /nfs/dbraw/zinc/18/55/40/135185540.db2.gz ISJIPMOICPVVEG-NSHDSACASA-N 2 0 214.353 0.983 20 0 BCADRP C[C@H]1COCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261545081 135186948 /nfs/dbraw/zinc/18/69/48/135186948.db2.gz JOKKITZUDDUNRA-VXGBXAGGSA-N 2 0 212.337 0.954 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000261549706 135188397 /nfs/dbraw/zinc/18/83/97/135188397.db2.gz PBRWSMIVJMSTBW-SNVBAGLBSA-N 2 0 213.325 0.502 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000261549638 135188620 /nfs/dbraw/zinc/18/86/20/135188620.db2.gz OWJALCAIYAZZHM-IUCAKERBSA-N 2 0 215.341 0.603 20 0 BCADRP CC1(C)C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H]1O ZINC000261551148 135189835 /nfs/dbraw/zinc/18/98/35/135189835.db2.gz QFIANAOPNFPWSO-CMPLNLGQSA-N 2 0 212.337 0.689 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000084221018 135193348 /nfs/dbraw/zinc/19/33/48/135193348.db2.gz ABQALDPPKGBVKO-DMDPSCGWSA-N 2 0 223.364 0.940 20 0 BCADRP CN(CCOCC[NH3+])CC[C@@H]1CCCC[N@@H+]1C ZINC000261553835 135193558 /nfs/dbraw/zinc/19/35/58/135193558.db2.gz OGTVOAVRAIDTDH-ZDUSSCGKSA-N 2 0 243.395 0.768 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H](C)[NH2+]CC ZINC000261554127 135194024 /nfs/dbraw/zinc/19/40/24/135194024.db2.gz TXOYSJKTKQZRAT-KOLCDFICSA-N 2 0 215.341 0.618 20 0 BCADRP CN(CC(C)(C)C[NH3+])C[C@]1(C)CC[NH2+]C1 ZINC000261554785 135194563 /nfs/dbraw/zinc/19/45/63/135194563.db2.gz UOMVSCVMBZGYLJ-GFCCVEGCSA-N 2 0 213.369 0.903 20 0 BCADRP O[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC12CC2 ZINC000261559435 135200112 /nfs/dbraw/zinc/20/01/12/135200112.db2.gz ZDIRYHAIDNICHB-LLVKDONJSA-N 2 0 210.321 0.443 20 0 BCADRP CN(C[C@@H]1CCC[NH2+]C1)CC(C)(C)C[NH3+] ZINC000261561218 135201668 /nfs/dbraw/zinc/20/16/68/135201668.db2.gz AMMHEQJMTHZQFF-LLVKDONJSA-N 2 0 213.369 0.903 20 0 BCADRP CCC(C)(C)NC(=O)CN1CC[C@](C)(C[NH3+])C1 ZINC000261562210 135203542 /nfs/dbraw/zinc/20/35/42/135203542.db2.gz WCPWNXCKOPDZOR-CYBMUJFWSA-N 2 0 241.379 0.962 20 0 BCADRP C(C1CCC1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261563834 135206199 /nfs/dbraw/zinc/20/61/99/135206199.db2.gz CBJSZDJKBMFOLC-CYBMUJFWSA-N 2 0 223.364 0.766 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000261568393 135210263 /nfs/dbraw/zinc/21/02/63/135210263.db2.gz FNERRKGJFJQWAM-MRVPVSSYSA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CC[C@H](C)[NH3+] ZINC000261573111 135214503 /nfs/dbraw/zinc/21/45/03/135214503.db2.gz IODOCWUUNZGHBS-GXSJLCMTSA-N 2 0 215.341 0.603 20 0 BCADRP CC[NH+](CC)CC(=O)NCC1([NH3+])CCC1 ZINC000261578868 135219973 /nfs/dbraw/zinc/21/99/73/135219973.db2.gz LYEFDGYLJGCNKH-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP [NH3+]CCC(=O)NCC1([NH3+])CCCCCC1 ZINC000261580636 135221453 /nfs/dbraw/zinc/22/14/53/135221453.db2.gz NAEJBRMLKZSRLJ-UHFFFAOYSA-N 2 0 213.325 0.503 20 0 BCADRP C[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000261582726 135223062 /nfs/dbraw/zinc/22/30/62/135223062.db2.gz OPAKKGCSCMOANI-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H]1C[C@H](C)[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000164380629 135225324 /nfs/dbraw/zinc/22/53/24/135225324.db2.gz VOLIIZQXENCANE-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CC[NH2+]CC1 ZINC000261588559 135229332 /nfs/dbraw/zinc/22/93/32/135229332.db2.gz SKSJFTQXZMHEOT-QWRGUYRKSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1CCOCC[NH3+] ZINC000261588865 135229338 /nfs/dbraw/zinc/22/93/38/135229338.db2.gz SRPVUFAECBQFQJ-MNOVXSKESA-N 2 0 215.341 0.163 20 0 BCADRP CC(=O)N(C)C1CCN(C[C@H](C)[NH3+])CC1 ZINC000261590636 135230934 /nfs/dbraw/zinc/23/09/34/135230934.db2.gz UQRTUWMZXQIAIC-VIFPVBQESA-N 2 0 213.325 0.276 20 0 BCADRP CC(=O)N(C)C1CCN(C[C@@H](C)[NH3+])CC1 ZINC000261590635 135230939 /nfs/dbraw/zinc/23/09/39/135230939.db2.gz UQRTUWMZXQIAIC-SECBINFHSA-N 2 0 213.325 0.276 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000261590662 135231202 /nfs/dbraw/zinc/23/12/02/135231202.db2.gz USYUOBXDNLKCRK-KXUCPTDWSA-N 2 0 215.341 0.459 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000261591122 135232035 /nfs/dbraw/zinc/23/20/35/135232035.db2.gz VBQALCPADZHATO-UJNFCWOMSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000261592424 135232826 /nfs/dbraw/zinc/23/28/26/135232826.db2.gz VVOFFSWQXRWWRB-YWVKMMECSA-N 2 0 213.325 0.357 20 0 BCADRP C(C1CCOCC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261593452 135233346 /nfs/dbraw/zinc/23/33/46/135233346.db2.gz WWZZCQROCBYQLC-CHWSQXEVSA-N 2 0 224.348 0.954 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)[C@H](C)C[NH3+] ZINC000261593420 135233576 /nfs/dbraw/zinc/23/35/76/135233576.db2.gz WUKGGJTYKKBHPO-BBBLOLIVSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)CNC(=O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000261593066 135233738 /nfs/dbraw/zinc/23/37/38/135233738.db2.gz WKTMZOUMFHIXCA-LBPRGKRZSA-N 2 0 227.352 0.429 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000261594907 135235214 /nfs/dbraw/zinc/23/52/14/135235214.db2.gz XTLQXOXVLYQJPJ-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[N@H+](CC1CC[NH2+]CC1)CC(C)(C)C[NH3+] ZINC000261595477 135236382 /nfs/dbraw/zinc/23/63/82/135236382.db2.gz YFGYENUOAPAKCG-UHFFFAOYSA-N 3 0 213.369 0.903 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CC[NH2+]C ZINC000261547749 135241173 /nfs/dbraw/zinc/24/11/73/135241173.db2.gz MRIFFGVBYCPVJJ-ZJUUUORDSA-N 2 0 213.325 0.052 20 0 BCADRP COC(=O)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@H]1C ZINC000261677605 135245168 /nfs/dbraw/zinc/24/51/68/135245168.db2.gz GQBDEYSWKKLFNO-JQWIXIFHSA-N 2 0 240.347 0.869 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)[C@@H]1C ZINC000261689489 135246007 /nfs/dbraw/zinc/24/60/07/135246007.db2.gz AZRYIHQVPLUKSE-NQBHXWOUSA-N 2 0 240.347 0.869 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000261685505 135246078 /nfs/dbraw/zinc/24/60/78/135246078.db2.gz CCGQXSLIMZQNKT-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)[C@@H]1C ZINC000261689490 135246096 /nfs/dbraw/zinc/24/60/96/135246096.db2.gz AZRYIHQVPLUKSE-WZRBSPASSA-N 2 0 240.347 0.869 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261685507 135246137 /nfs/dbraw/zinc/24/61/37/135246137.db2.gz CCGQXSLIMZQNKT-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP CN(Cc1cnccn1)C[C@]1(C)CC[NH2+]C1 ZINC000261695757 135246593 /nfs/dbraw/zinc/24/65/93/135246593.db2.gz BIFXWSKLHQOCJT-GFCCVEGCSA-N 2 0 220.320 0.908 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261745021 135249161 /nfs/dbraw/zinc/24/91/61/135249161.db2.gz MCMMPQZFQIMYKK-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)CCC[NH3+])C1 ZINC000084420040 135249282 /nfs/dbraw/zinc/24/92/82/135249282.db2.gz BNWWBOIWRXMGMH-JTQLQIEISA-N 2 0 213.325 0.278 20 0 BCADRP CCNC(=O)CN(CC)C[C@@]1(C)CC[NH2+]C1 ZINC000261734853 135249269 /nfs/dbraw/zinc/24/92/69/135249269.db2.gz HRWZFPONIIOUSE-LBPRGKRZSA-N 2 0 227.352 0.444 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000084420144 135251016 /nfs/dbraw/zinc/25/10/16/135251016.db2.gz QHQZWJPWTKVESS-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000261774732 135251253 /nfs/dbraw/zinc/25/12/53/135251253.db2.gz JBNYFUXCLHTDOX-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP COC(=O)C(C)(C)CC[NH+]1CCC([NH3+])CC1 ZINC000261811360 135254201 /nfs/dbraw/zinc/25/42/01/135254201.db2.gz HRVVTPMRAFPMAG-UHFFFAOYSA-N 2 0 228.336 0.999 20 0 BCADRP C[N@H+]1C[C@@H]2C[NH+](CC3CC[NH2+]CC3)C[C@@H]2C1 ZINC000261805671 135254441 /nfs/dbraw/zinc/25/44/41/135254441.db2.gz HHZLGFRFOQLZMS-BETUJISGSA-N 3 0 223.364 0.479 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261819038 135255130 /nfs/dbraw/zinc/25/51/30/135255130.db2.gz NXRVXAROLGFTII-UTLUCORTSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261811341 135254698 /nfs/dbraw/zinc/25/46/98/135254698.db2.gz HREOSDDXRROIIQ-WOPDTQHZSA-N 2 0 239.363 0.429 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCC1([NH3+])CCC1 ZINC000261836578 135256247 /nfs/dbraw/zinc/25/62/47/135256247.db2.gz PFIBITXXWZDKNV-VHSXEESVSA-N 2 0 225.336 0.502 20 0 BCADRP C[C@H]([NH3+])CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261849004 135256954 /nfs/dbraw/zinc/25/69/54/135256954.db2.gz VDULHKXTIPYLNP-WCFLWFBJSA-N 2 0 219.332 0.760 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000261852166 135257142 /nfs/dbraw/zinc/25/71/42/135257142.db2.gz OVLWCLIQVQONAC-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000261860066 135257919 /nfs/dbraw/zinc/25/79/19/135257919.db2.gz POGKKVMNTFOBMG-AXFHLTTASA-N 2 0 227.352 0.713 20 0 BCADRP COCCN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CCOC1 ZINC000261875135 135258668 /nfs/dbraw/zinc/25/86/68/135258668.db2.gz POTSMMIMBLARCW-CHWSQXEVSA-N 2 0 242.363 0.723 20 0 BCADRP COCCN(C[C@@]1(C)CC[NH2+]C1)[C@H]1CCOC1 ZINC000261875140 135259115 /nfs/dbraw/zinc/25/91/15/135259115.db2.gz POTSMMIMBLARCW-STQMWFEESA-N 2 0 242.363 0.723 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000261882548 135259698 /nfs/dbraw/zinc/25/96/98/135259698.db2.gz RXUCZJRICWACDQ-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]C[C@H](C(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000261886850 135259766 /nfs/dbraw/zinc/25/97/66/135259766.db2.gz BJLNRJRLPLFFCC-QWHCGFSZSA-N 2 0 247.342 0.582 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261886390 135260267 /nfs/dbraw/zinc/26/02/67/135260267.db2.gz VESZVSLLLWNAMI-NWDGAFQWSA-N 2 0 241.379 0.866 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000261893712 135260951 /nfs/dbraw/zinc/26/09/51/135260951.db2.gz CLTQBLJWDYORFS-STQMWFEESA-N 2 0 247.342 0.410 20 0 BCADRP [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261892303 135261269 /nfs/dbraw/zinc/26/12/69/135261269.db2.gz CLTQBLJWDYORFS-OLZOCXBDSA-N 2 0 247.342 0.410 20 0 BCADRP Cn1nccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261976531 135268697 /nfs/dbraw/zinc/26/86/97/135268697.db2.gz IVJLEOYEKDFYDO-UHFFFAOYSA-N 2 0 234.347 0.996 20 0 BCADRP O=C(N1CC[NH2+]CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262000511 135271202 /nfs/dbraw/zinc/27/12/02/135271202.db2.gz AUUMPXAGTLJISY-WCQYABFASA-N 2 0 237.347 0.198 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000261999059 135271399 /nfs/dbraw/zinc/27/13/99/135271399.db2.gz ARHFVUYKCLRNEN-GMXVVIOVSA-N 2 0 237.347 0.326 20 0 BCADRP C[NH2+]CCC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000262018219 135272767 /nfs/dbraw/zinc/27/27/67/135272767.db2.gz ACKNLJNAKHNLHF-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP CC[N@H+](CCOCCO)C[C@@]1(C)CC[NH2+]C1 ZINC000262031008 135273926 /nfs/dbraw/zinc/27/39/26/135273926.db2.gz OCLUZHIVPNNRQW-LBPRGKRZSA-N 2 0 230.352 0.317 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262030013 135274322 /nfs/dbraw/zinc/27/43/22/135274322.db2.gz BMHIVURRARWBLT-LLVKDONJSA-N 2 0 239.363 0.729 20 0 BCADRP CNC(=O)C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262039507 135275298 /nfs/dbraw/zinc/27/52/98/135275298.db2.gz OYTJIVFUWBRICH-CYBMUJFWSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262061260 135276717 /nfs/dbraw/zinc/27/67/17/135276717.db2.gz IPOCFHFUOIFFDF-GXSJLCMTSA-N 2 0 227.352 0.605 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262143841 135281032 /nfs/dbraw/zinc/28/10/32/135281032.db2.gz FGAGFYRIBOJBFC-JTQLQIEISA-N 2 0 225.336 0.420 20 0 BCADRP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262178074 135283722 /nfs/dbraw/zinc/28/37/22/135283722.db2.gz WFMOUWWEYKYKMI-JHJVBQTASA-N 2 0 223.364 0.622 20 0 BCADRP O=C(C1C[NH2+]C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262170415 135283767 /nfs/dbraw/zinc/28/37/67/135283767.db2.gz CGKXTSXNMQWTDD-NSHDSACASA-N 2 0 237.347 0.150 20 0 BCADRP C[NH2+]CCC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262224047 135286483 /nfs/dbraw/zinc/28/64/83/135286483.db2.gz NABYLALPRIVASW-UHFFFAOYSA-N 2 0 225.336 0.293 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262263261 135288733 /nfs/dbraw/zinc/28/87/33/135288733.db2.gz XTRFKOZBGFOOFT-TXEJJXNPSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H]1C[C@@H](N(C)C(=O)C2C[NH2+]C2)CC[N@@H+]1C ZINC000262266003 135288953 /nfs/dbraw/zinc/28/89/53/135288953.db2.gz SAZXZARKUQTRNP-ONGXEEELSA-N 2 0 225.336 0.147 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262266604 135289208 /nfs/dbraw/zinc/28/92/08/135289208.db2.gz VDZPMVPRFWTKTH-GMXVVIOVSA-N 2 0 237.347 0.244 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000262310266 135292032 /nfs/dbraw/zinc/29/20/32/135292032.db2.gz CVBUHGYYGBGMFM-VXGBXAGGSA-N 2 0 239.363 0.668 20 0 BCADRP [NH3+]C[C@H](C(=O)NCC1([NH3+])CCC1)c1ccccc1 ZINC000342584176 135292447 /nfs/dbraw/zinc/29/24/47/135292447.db2.gz HZQBBBZXOHOGIO-LBPRGKRZSA-N 2 0 247.342 0.727 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1CCC[NH2+]C1 ZINC000262411152 135295142 /nfs/dbraw/zinc/29/51/42/135295142.db2.gz DMTNBIUWWSTEAJ-JTQLQIEISA-N 2 0 227.352 0.429 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000262415496 135295334 /nfs/dbraw/zinc/29/53/34/135295334.db2.gz RCRCEWUVMHXUAX-JTQLQIEISA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000262426581 135295954 /nfs/dbraw/zinc/29/59/54/135295954.db2.gz HRIKTGCMUZAKRR-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]C(C)(C)C)CC[NH2+]1 ZINC000262428979 135297129 /nfs/dbraw/zinc/29/71/29/135297129.db2.gz RJNBPPJAWPQALW-QWRGUYRKSA-N 2 0 241.379 0.879 20 0 BCADRP [NH3+]C1(C(=O)NCC[C@@H]2CC[NH2+]C2)CCCCC1 ZINC000262447205 135299144 /nfs/dbraw/zinc/29/91/44/135299144.db2.gz PNMAKLHIJFCLJU-NSHDSACASA-N 2 0 239.363 0.764 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000262442018 135299471 /nfs/dbraw/zinc/29/94/71/135299471.db2.gz HVPZHMNNXHELDV-ZJUUUORDSA-N 2 0 245.392 0.196 20 0 BCADRP CCC[NH+]1CCC(CNC(=O)CC[NH2+]C)CC1 ZINC000262446040 135299669 /nfs/dbraw/zinc/29/96/69/135299669.db2.gz VKKJIVGBNYRMLA-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP C[C@H]1C[C@H](NC(=O)NCC[NH+](C)C)CC[N@@H+]1C ZINC000342637661 135299728 /nfs/dbraw/zinc/29/97/28/135299728.db2.gz BQOJZUOKZTZBHW-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000262442016 135299800 /nfs/dbraw/zinc/29/98/00/135299800.db2.gz HVPZHMNNXHELDV-NXEZZACHSA-N 2 0 245.392 0.196 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000262441541 135299890 /nfs/dbraw/zinc/29/98/90/135299890.db2.gz UYSQCJYCUYFOEG-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262478134 135302079 /nfs/dbraw/zinc/30/20/79/135302079.db2.gz ZEPWZPJALHTSMD-SKDRFNHKSA-N 2 0 233.315 0.337 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000262487445 135302437 /nfs/dbraw/zinc/30/24/37/135302437.db2.gz VGWOXUGAFHBNNT-JFGNBEQYSA-N 2 0 229.368 0.849 20 0 BCADRP C[C@@H](C(=O)N[C@@H](C[NH3+])C1CCCCC1)[C@H](C)[NH3+] ZINC000262491740 135302453 /nfs/dbraw/zinc/30/24/53/135302453.db2.gz XLZMCGJFRSXEDR-SCVCMEIPSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262491734 135302547 /nfs/dbraw/zinc/30/25/47/135302547.db2.gz XLZMCGJFRSXEDR-JBLDHEPKSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@@H](CC(=O)NC(C)(C)C[NH3+])[C@H]1CCC[NH2+]C1 ZINC000262510799 135303167 /nfs/dbraw/zinc/30/31/67/135303167.db2.gz NQLHHLDKNANCQC-QWRGUYRKSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@]1(CNC(=O)C[NH2+]CC2CC2)CCC[NH2+]C1 ZINC000342700334 135306643 /nfs/dbraw/zinc/30/66/43/135306643.db2.gz BETPVFLULNQWSN-ZDUSSCGKSA-N 2 0 239.363 0.492 20 0 BCADRP [NH3+]CC1(NC(=O)C[NH2+]CC2CC2)CCCC1 ZINC000262591116 135307168 /nfs/dbraw/zinc/30/71/68/135307168.db2.gz CELVREDLQRDHAP-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP C[C@H](CC(=O)N(C)[C@H](C)C[NH3+])[C@H]1CCC[NH2+]C1 ZINC000262590398 135307461 /nfs/dbraw/zinc/30/74/61/135307461.db2.gz BCJMSAAVLPYXNJ-UTUOFQBUSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262613204 135308595 /nfs/dbraw/zinc/30/85/95/135308595.db2.gz FPWAABDUCHDYEE-MDZLAQPJSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC000342751641 135310814 /nfs/dbraw/zinc/31/08/14/135310814.db2.gz OBRXCUBJSBBHBU-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC000342751643 135311270 /nfs/dbraw/zinc/31/12/70/135311270.db2.gz OBRXCUBJSBBHBU-VWYCJHECSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@]1(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000342712580 135314050 /nfs/dbraw/zinc/31/40/50/135314050.db2.gz AAMOLERYDWHQPE-WZRBSPASSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH3+] ZINC000342723086 135314421 /nfs/dbraw/zinc/31/44/21/135314421.db2.gz CEIZLOWGVRZDCJ-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000262715798 135315322 /nfs/dbraw/zinc/31/53/22/135315322.db2.gz DMZRHXNASMFXSX-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342732729 135316600 /nfs/dbraw/zinc/31/66/00/135316600.db2.gz LTLHEFNTDAXVAK-ZDUSSCGKSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)C[C@H]2CCC[NH2+]2)[C@H]1C ZINC000262828993 135320952 /nfs/dbraw/zinc/32/09/52/135320952.db2.gz URFRQANPOQSWRB-GARJFASQSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000262967462 135325698 /nfs/dbraw/zinc/32/56/98/135325698.db2.gz LJWRALONOTUNFD-LOWVWBTDSA-N 2 0 239.363 0.748 20 0 BCADRP C[NH2+]CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000263260667 135343350 /nfs/dbraw/zinc/34/33/50/135343350.db2.gz SKYWHXNIPDHQEY-PHIMTYICSA-N 2 0 227.352 0.537 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000334382200 135381065 /nfs/dbraw/zinc/38/10/65/135381065.db2.gz KEVRNNDMAMCTIM-LLVKDONJSA-N 2 0 239.363 0.845 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC[NH2+]CC1)[C@H](C)[NH3+] ZINC000335603409 135417603 /nfs/dbraw/zinc/41/76/03/135417603.db2.gz HSCQFFCCSHMCCU-QWRGUYRKSA-N 2 0 227.352 0.428 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)NCCC[NH+]1CCCC1 ZINC000089741407 135540252 /nfs/dbraw/zinc/54/02/52/135540252.db2.gz WGCBBBJBECDGRC-GFCCVEGCSA-N 2 0 239.363 0.588 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091395779 135561819 /nfs/dbraw/zinc/56/18/19/135561819.db2.gz MUWUZCZCQIMYQK-NWDGAFQWSA-N 2 0 241.379 0.770 20 0 BCADRP CC[C@]1(C(=O)NCC2([NH3+])CCC2)CCC[NH2+]1 ZINC000343793060 135694338 /nfs/dbraw/zinc/69/43/38/135694338.db2.gz ZZRFZRMRJWRKOD-GFCCVEGCSA-N 2 0 225.336 0.516 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(C)C1CC([NH3+])C1 ZINC000334933947 135844856 /nfs/dbraw/zinc/84/48/56/135844856.db2.gz JLKWGDNGKQLYOC-IDWGSYCQSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@]1(CNC(=O)N2CC[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000334946065 135865516 /nfs/dbraw/zinc/86/55/16/135865516.db2.gz OPEPSOBORMBHHW-ZYHUDNBSSA-N 2 0 240.351 0.119 20 0 BCADRP CC1(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C[NH2+]C1 ZINC000335037925 135870538 /nfs/dbraw/zinc/87/05/38/135870538.db2.gz KJEQGHJKNNOACZ-NXEZZACHSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000335217234 135959264 /nfs/dbraw/zinc/95/92/64/135959264.db2.gz JQUQBBKQNNIRQJ-MNOVXSKESA-N 2 0 225.336 0.468 20 0 BCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000335224375 135961782 /nfs/dbraw/zinc/96/17/82/135961782.db2.gz MZQCUMZDHUXCKJ-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@H](C(=O)N[C@@H](C)C[NH3+])[NH+](CC)CC ZINC000347688474 136005281 /nfs/dbraw/zinc/00/52/81/136005281.db2.gz MTZNAXNRHFCZHX-VHSXEESVSA-N 2 0 215.341 0.570 20 0 BCADRP Cc1cc(N2CCN3CCOC[C@@H]3C2)ncn1 ZINC000347872790 136017102 /nfs/dbraw/zinc/01/71/02/136017102.db2.gz DJLITWAETRMTTA-NSHDSACASA-N 2 0 234.303 0.306 20 0 BCADRP CN1CCN(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000335301369 136020594 /nfs/dbraw/zinc/02/05/94/136020594.db2.gz OFSVXGCYZNBDSG-MNOVXSKESA-N 2 0 240.351 0.071 20 0 BCADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NCC[NH3+])CC1 ZINC000335356577 136061920 /nfs/dbraw/zinc/06/19/20/136061920.db2.gz FFJBRZJYFLJCFB-UHFFFAOYSA-N 2 0 242.367 0.461 20 0 BCADRP CC(C)([NH3+])C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000335345022 136065793 /nfs/dbraw/zinc/06/57/93/136065793.db2.gz FXLUMYKYBCKADF-BDAKNGLRSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]1CCN(C(=O)NCC(C)(C)[NH3+])C[C@@H]1C[NH3+] ZINC000335357236 136074569 /nfs/dbraw/zinc/07/45/69/136074569.db2.gz IRRIHLJMHLXDRI-ZJUUUORDSA-N 2 0 242.367 0.350 20 0 BCADRP C[C@@H]1CN(C(=O)NCC(C)(C)[NH3+])[C@H](C)C[NH2+]1 ZINC000335361722 136081341 /nfs/dbraw/zinc/08/13/41/136081341.db2.gz WFRKPLFWBSPZHZ-RKDXNWHRSA-N 2 0 228.340 0.116 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000335369767 136082833 /nfs/dbraw/zinc/08/28/33/136082833.db2.gz YSFSYYWXLCDEPK-AAEUAGOBSA-N 2 0 239.363 0.396 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000335402012 136085287 /nfs/dbraw/zinc/08/52/87/136085287.db2.gz WZNSVXWRGSLFQE-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP [NH3+]CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000335375216 136085539 /nfs/dbraw/zinc/08/55/39/136085539.db2.gz MMCYFLBMAGOKIO-JQWIXIFHSA-N 2 0 237.347 0.420 20 0 BCADRP O=C(NC1CC[NH2+]CC1)C12CCC[NH+]1CCC2 ZINC000335379704 136086669 /nfs/dbraw/zinc/08/66/69/136086669.db2.gz JGFJBACQZKCXIK-UHFFFAOYSA-N 2 0 237.347 0.483 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000335402062 136087224 /nfs/dbraw/zinc/08/72/24/136087224.db2.gz YPQFBSBGLCLBCC-LLVKDONJSA-N 2 0 225.336 0.311 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)NC2C[NH2+]C2)CC1 ZINC000335387752 136089575 /nfs/dbraw/zinc/08/95/75/136089575.db2.gz UDBCOEQEVYCTBO-UHFFFAOYSA-N 2 0 240.351 0.084 20 0 BCADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC[NH2+]CC1 ZINC000335391073 136090869 /nfs/dbraw/zinc/09/08/69/136090869.db2.gz SRBBKDUJKTULJG-UHFFFAOYSA-N 2 0 244.298 0.770 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000335393024 136091543 /nfs/dbraw/zinc/09/15/43/136091543.db2.gz AFPLHDKHBTWCTB-NSHDSACASA-N 2 0 223.320 0.080 20 0 BCADRP C[NH2+]CC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000335396302 136092675 /nfs/dbraw/zinc/09/26/75/136092675.db2.gz OGKLFNNVKZFXBV-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000335399195 136093933 /nfs/dbraw/zinc/09/39/33/136093933.db2.gz MVILJSDUSZDTMH-WCQYABFASA-N 2 0 245.326 0.352 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000335554047 136098606 /nfs/dbraw/zinc/09/86/06/136098606.db2.gz AGXRNHOPAMAFPI-KOLCDFICSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000335554049 136098905 /nfs/dbraw/zinc/09/89/05/136098905.db2.gz AGXRNHOPAMAFPI-ONGXEEELSA-N 2 0 237.347 0.195 20 0 BCADRP CC1(C)CN(C(=O)CC[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000335598492 136114063 /nfs/dbraw/zinc/11/40/63/136114063.db2.gz KKYPICKXXSIXKV-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000054071535 322855359 /nfs/dbraw/zinc/85/53/59/322855359.db2.gz PESRFYSVNCNYRR-VIFPVBQESA-N 2 0 215.341 0.298 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000248858937 397766696 /nfs/dbraw/zinc/76/66/96/397766696.db2.gz LTWUUIMXVBYMTB-DCAQKATOSA-N 2 0 239.363 0.855 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@]1(C)CC[NH2+]C1 ZINC000647540544 397782374 /nfs/dbraw/zinc/78/23/74/397782374.db2.gz ZKHWNUUJIBHRTK-SRVKXCTJSA-N 2 0 229.343 0.618 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)CC[NH3+] ZINC000390006194 397875679 /nfs/dbraw/zinc/87/56/79/397875679.db2.gz WUBGLXCEDPOEAA-RKDXNWHRSA-N 2 0 201.314 0.213 20 0 BCADRP CO[C@@H](C)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000182171628 397824852 /nfs/dbraw/zinc/82/48/52/397824852.db2.gz FXUPILFFBFSEIT-WDEREUQCSA-N 2 0 200.326 0.905 20 0 BCADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000648143216 397929434 /nfs/dbraw/zinc/92/94/34/397929434.db2.gz LKCMZQHRPHWHOO-MLGHIDQZSA-N 2 0 249.358 0.195 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000446361216 397947477 /nfs/dbraw/zinc/94/74/77/397947477.db2.gz YZKCFKPIIMPVKR-HOSYDEDBSA-N 2 0 237.347 0.195 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC1CC[NH+](CC)CC1 ZINC000449075185 397951516 /nfs/dbraw/zinc/95/15/16/397951516.db2.gz MGKKEWVEPLQHOO-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000449554863 397955199 /nfs/dbraw/zinc/95/51/99/397955199.db2.gz FESRBPPVIPNJQG-JFGNBEQYSA-N 2 0 239.363 0.713 20 0 BCADRP CC[N@H+](C)CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000054133011 397903688 /nfs/dbraw/zinc/90/36/88/397903688.db2.gz KGFPVLAGTWVNDY-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C[C@H]2CCC[N@@H+]2C)C1 ZINC000649530909 397922276 /nfs/dbraw/zinc/92/22/76/397922276.db2.gz PCXGNKILIFFLMH-CHWSQXEVSA-N 2 0 225.380 0.964 20 0 BCADRP C[NH+]1CCC[C@@H]1CN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000649616238 397997930 /nfs/dbraw/zinc/99/79/30/397997930.db2.gz GUJARTOPKBMCGI-YNEHKIRRSA-N 2 0 223.364 0.717 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000383194889 398010309 /nfs/dbraw/zinc/01/03/09/398010309.db2.gz VFRGEBJZMQYDSL-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](O)C2)CC[NH2+]1 ZINC000414671136 398013802 /nfs/dbraw/zinc/01/38/02/398013802.db2.gz NDDPGACTUJRPSF-IJLUTSLNSA-N 2 0 212.337 0.831 20 0 BCADRP COC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414705225 398021184 /nfs/dbraw/zinc/02/11/84/398021184.db2.gz NSCOJXBHMGSBRK-UPJWGTAASA-N 2 0 242.363 0.722 20 0 BCADRP COC[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414705219 398021863 /nfs/dbraw/zinc/02/18/63/398021863.db2.gz NSCOJXBHMGSBRK-AGIUHOORSA-N 2 0 242.363 0.722 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)CCC1C[NH2+]C1 ZINC000637863331 398032473 /nfs/dbraw/zinc/03/24/73/398032473.db2.gz XZWGQEWCRITJKA-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418316759 398032880 /nfs/dbraw/zinc/03/28/80/398032880.db2.gz ZRXUVFZSERHMJO-MNOVXSKESA-N 2 0 242.367 0.413 20 0 BCADRP CCC[C@H](C)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685239 398035638 /nfs/dbraw/zinc/03/56/38/398035638.db2.gz TYANTGVQVVZUNL-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)[NH3+])C1 ZINC000389148927 398037968 /nfs/dbraw/zinc/03/79/68/398037968.db2.gz IXNFCBDTORKHLA-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@]1(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC[NH2+]C1 ZINC000564726164 398039571 /nfs/dbraw/zinc/03/95/71/398039571.db2.gz HVXDLYRWITXMFU-WZRBSPASSA-N 2 0 237.347 0.196 20 0 BCADRP COC[C@@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313341739 398043517 /nfs/dbraw/zinc/04/35/17/398043517.db2.gz FXPPIFGYPVPKKG-NXEZZACHSA-N 2 0 202.298 0.071 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1C[NH2+]C1 ZINC000638048388 398066517 /nfs/dbraw/zinc/06/65/17/398066517.db2.gz OETKGIRHAMEJMW-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C1[C@@H](c2nc([C@@H]3CCC[NH2+]3)no2)[C@@]12CC[NH2+]C2 ZINC000647148332 398093237 /nfs/dbraw/zinc/09/32/37/398093237.db2.gz LXAGLDFGQIESTQ-AUTRQRHGSA-N 2 0 234.303 0.961 20 0 BCADRP C[C@H](CNC(=O)/C=C\C[NH+](C)C)[N@H+](C)C1CC1 ZINC000491853795 398075353 /nfs/dbraw/zinc/07/53/53/398075353.db2.gz WFCOYQRRELYSLP-ISALQUGTSA-N 2 0 239.363 0.703 20 0 BCADRP C[C@H](CNC(=O)/C=C/C[NH+](C)C)[N@H+](C)C1CC1 ZINC000491853796 398075558 /nfs/dbraw/zinc/07/55/58/398075558.db2.gz WFCOYQRRELYSLP-MVIFTORASA-N 2 0 239.363 0.703 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)/C=C/C[NH+](C)C)CC[N@@H+]1C ZINC000491904978 398077009 /nfs/dbraw/zinc/07/70/09/398077009.db2.gz NAZOTLITDZQCFA-IEVRTODYSA-N 2 0 239.363 0.703 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000418433329 398088436 /nfs/dbraw/zinc/08/84/36/398088436.db2.gz CZVNJBGURXKMBQ-ZJUUUORDSA-N 2 0 230.356 0.396 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384744262 398104170 /nfs/dbraw/zinc/10/41/70/398104170.db2.gz LSUGNOGZVAESQE-WISYIIOYSA-N 2 0 230.352 0.896 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638507921 398109166 /nfs/dbraw/zinc/10/91/66/398109166.db2.gz JMBLKKGGDZXIHA-ZJUUUORDSA-N 2 0 225.336 0.515 20 0 BCADRP [NH3+]CCCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000107213592 322862240 /nfs/dbraw/zinc/86/22/40/322862240.db2.gz KKDAUXVVABFMCL-GFCCVEGCSA-N 2 0 211.353 0.895 20 0 BCADRP CC(C)(O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000309290723 398118301 /nfs/dbraw/zinc/11/83/01/398118301.db2.gz JIGKTZRHSCBHOE-NSHDSACASA-N 2 0 230.352 0.194 20 0 BCADRP O[C@@H](C[NH2+]CCCCF)C[NH+]1CCCC1 ZINC000309106326 398110949 /nfs/dbraw/zinc/11/09/49/398110949.db2.gz IBXJQOXLJHKUTG-NSHDSACASA-N 2 0 218.316 0.782 20 0 BCADRP [NH3+]C[C@H]1CCCCN1CCc1cn[nH]c1 ZINC000389587596 398114647 /nfs/dbraw/zinc/11/46/47/398114647.db2.gz AARQCVIDPDTAQD-LLVKDONJSA-N 2 0 208.309 0.765 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1CCc1cn[nH]c1 ZINC000389587597 398115083 /nfs/dbraw/zinc/11/50/83/398115083.db2.gz AARQCVIDPDTAQD-NSHDSACASA-N 2 0 208.309 0.765 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC[NH2+]C1 ZINC000365326102 398124267 /nfs/dbraw/zinc/12/42/67/398124267.db2.gz LWXOXOVJLZPUKR-LOWVWBTDSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747130 167046373 /nfs/dbraw/zinc/04/63/73/167046373.db2.gz XERKYHKLMVYFHR-FOSCPWQOSA-N 2 0 239.363 0.726 20 0 BCADRP CCCNC(=O)CN1CCC(C)([NH3+])CC1 ZINC000309452953 487558024 /nfs/dbraw/zinc/55/80/24/487558024.db2.gz MZNIWINLNKQOCO-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000335918576 175704645 /nfs/dbraw/zinc/70/46/45/175704645.db2.gz BMJOMRWKBBTKAI-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)CC1([NH3+])CCC1 ZINC000086853476 487566160 /nfs/dbraw/zinc/56/61/60/487566160.db2.gz ZYSGSHMSDYYEGS-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)CC1([NH3+])CCC1 ZINC000086853477 487566468 /nfs/dbraw/zinc/56/64/68/487566468.db2.gz ZYSGSHMSDYYEGS-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH+](C)C[C@@](C)(O)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000227931375 487569599 /nfs/dbraw/zinc/56/95/99/487569599.db2.gz IEAMWGJAEZHTSG-YPMHNXCESA-N 2 0 244.379 0.846 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000162440908 487570550 /nfs/dbraw/zinc/57/05/50/487570550.db2.gz DWULSIDMQARNRE-NHCYSSNCSA-N 2 0 225.336 0.372 20 0 BCADRP C[N@H+](CCOCC[NH3+])CCOC(C)(C)C ZINC000301050375 487572111 /nfs/dbraw/zinc/57/21/11/487572111.db2.gz SHUNAGQJRASCDD-UHFFFAOYSA-N 2 0 218.341 0.709 20 0 BCADRP CO[C@H](C[NH3+])CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000521046437 322900025 /nfs/dbraw/zinc/90/00/25/322900025.db2.gz OYLIYEPHIBHPHR-MNOVXSKESA-N 2 0 243.351 0.080 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N(C)CCC[NH3+] ZINC000308919817 487581845 /nfs/dbraw/zinc/58/18/45/487581845.db2.gz BXERFGQBFLBWAR-SECBINFHSA-N 2 0 201.314 0.167 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N(C)CCC[NH3+] ZINC000308919818 487582226 /nfs/dbraw/zinc/58/22/26/487582226.db2.gz BXERFGQBFLBWAR-VIFPVBQESA-N 2 0 201.314 0.167 20 0 BCADRP CC(C)OCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000308656889 167245328 /nfs/dbraw/zinc/24/53/28/167245328.db2.gz OMNDOQIFDHZEBV-WDEREUQCSA-N 2 0 200.326 0.951 20 0 BCADRP OCCC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000238645264 487588355 /nfs/dbraw/zinc/58/83/55/487588355.db2.gz YYGURBNQYBEZFC-LBPRGKRZSA-N 2 0 212.337 0.690 20 0 BCADRP CC(C)OC[C@H](C)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000336735640 167265573 /nfs/dbraw/zinc/26/55/73/167265573.db2.gz IGIUQLLYBXJURL-NWDGAFQWSA-N 2 0 230.352 0.456 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000082303081 487590740 /nfs/dbraw/zinc/59/07/40/487590740.db2.gz HIJCGCHIPNZZHV-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP OCC[C@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000238673281 487592212 /nfs/dbraw/zinc/59/22/12/487592212.db2.gz HDKJLGAUJWLBNT-VXGBXAGGSA-N 2 0 212.337 0.833 20 0 BCADRP CCCN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000565540300 322916206 /nfs/dbraw/zinc/91/62/06/322916206.db2.gz OVKISOPCDVSYRF-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP CN(C(=O)[C@@H]1[NH2+]CCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000662415473 487604322 /nfs/dbraw/zinc/60/43/22/487604322.db2.gz QUNVDNYCNCOISI-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP COC[C@@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000662264795 409561363 /nfs/dbraw/zinc/56/13/63/409561363.db2.gz MFTOSJBHLHKKIK-ZGVCCVRISA-N 2 0 242.363 0.863 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)OC ZINC000662266261 409563945 /nfs/dbraw/zinc/56/39/45/409563945.db2.gz LAFZUYMLVBAFOA-NWDGAFQWSA-N 2 0 228.336 0.333 20 0 BCADRP [NH3+][C@@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662240818 409526814 /nfs/dbraw/zinc/52/68/14/409526814.db2.gz NNPRWLMHNUKKSH-CYBMUJFWSA-N 2 0 231.343 0.865 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC[C@H]1[NH3+] ZINC000662243798 409531224 /nfs/dbraw/zinc/53/12/24/409531224.db2.gz KGKNFTAOHXSOAC-IJLUTSLNSA-N 3 0 239.363 0.177 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)CC(C)(C)[NH3+] ZINC000309774653 487610080 /nfs/dbraw/zinc/61/00/80/487610080.db2.gz LIRRVPLJLVTEOI-UHFFFAOYSA-N 2 0 215.341 0.748 20 0 BCADRP CCCN(C[C@@H]1C[NH2+]CCO1)[C@@H]1CC[NH2+]C1 ZINC000662244096 409534950 /nfs/dbraw/zinc/53/49/50/409534950.db2.gz BQGPSPBLSZFVLQ-NEPJUHHUSA-N 2 0 227.352 0.049 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000662245482 409537361 /nfs/dbraw/zinc/53/73/61/409537361.db2.gz KAWPNKWWBPEJRK-ZYHUDNBSSA-N 2 0 239.363 0.666 20 0 BCADRP CCN1CC[C@H]([NH+]2CCC([C@H](C)[NH3+])CC2)C1=O ZINC000662246059 409539521 /nfs/dbraw/zinc/53/95/21/409539521.db2.gz NMOZIZQXYZCDHQ-JQWIXIFHSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+]CC1CC[NH+](C[C@H](COC)OC)CC1 ZINC000662247561 409546393 /nfs/dbraw/zinc/54/63/93/409546393.db2.gz XQAJOMWQEPZWPC-GFCCVEGCSA-N 2 0 230.352 0.579 20 0 BCADRP OCC1([NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)CCCC1 ZINC000662287104 409621731 /nfs/dbraw/zinc/62/17/31/409621731.db2.gz WAJXDQBDKSCSFI-LLVKDONJSA-N 2 0 240.347 0.402 20 0 BCADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000662315972 409636889 /nfs/dbraw/zinc/63/68/89/409636889.db2.gz RWBDBSOIBRBVGO-UTUOFQBUSA-N 2 0 222.332 0.849 20 0 BCADRP CO[C@H](C[N@H+](C)C[C@@H](O)C[NH3+])C1CCCC1 ZINC000662277212 409589452 /nfs/dbraw/zinc/58/94/52/409589452.db2.gz NHELYNMRTXRVDH-NWDGAFQWSA-N 2 0 230.352 0.443 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC1([NH3+])CCCCC1 ZINC000662393641 409695200 /nfs/dbraw/zinc/69/52/00/409695200.db2.gz SJOIFUUUNUUAFN-SNVBAGLBSA-N 2 0 227.352 0.762 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@H]([NH3+])C(C)C ZINC000662423595 409708398 /nfs/dbraw/zinc/70/83/98/409708398.db2.gz NTWKLLNHEWYFOX-VIFPVBQESA-N 2 0 201.314 0.084 20 0 BCADRP C[C@H]1CCCN(C(=O)CC2([NH3+])CC2)[C@@H]1C[NH3+] ZINC000662425200 409708423 /nfs/dbraw/zinc/70/84/23/409708423.db2.gz YJMZFKZVYHXMHW-VHSXEESVSA-N 2 0 225.336 0.454 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662338635 409651165 /nfs/dbraw/zinc/65/11/65/409651165.db2.gz NJFPMPOWAYQQTF-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662605433 409781432 /nfs/dbraw/zinc/78/14/32/409781432.db2.gz OBJOXXORSNSCPJ-VIFPVBQESA-N 2 0 215.341 0.570 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000662549994 409752102 /nfs/dbraw/zinc/75/21/02/409752102.db2.gz WUONYQNYCHSQFM-BBBLOLIVSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH2+]CCCN(C)C(=O)c1cccc2c1C[NH2+]C2 ZINC000662576311 409765316 /nfs/dbraw/zinc/76/53/16/409765316.db2.gz KRWOAFNVMJAFLF-UHFFFAOYSA-N 2 0 247.342 0.971 20 0 BCADRP COC[C@H](C)C[N@H+](C)CCOCC[NH3+] ZINC000308507505 409766804 /nfs/dbraw/zinc/76/68/04/409766804.db2.gz JJFWIWVZKVLEHY-SNVBAGLBSA-N 2 0 204.314 0.176 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655247196 409718202 /nfs/dbraw/zinc/71/82/02/409718202.db2.gz WCXSSAMOZVPGRH-TXEJJXNPSA-N 2 0 241.379 0.785 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662681263 409832349 /nfs/dbraw/zinc/83/23/49/409832349.db2.gz DLBGHGKJVNPSAN-QWRGUYRKSA-N 2 0 239.363 0.442 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653126749 409836532 /nfs/dbraw/zinc/83/65/32/409836532.db2.gz GEJZILZOGYEBDY-LLVKDONJSA-N 2 0 227.352 0.492 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653127311 409838311 /nfs/dbraw/zinc/83/83/11/409838311.db2.gz IPJIKEOQSBDWJC-SDDRHHMPSA-N 2 0 237.347 0.385 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)C1CC1 ZINC000653127493 409839004 /nfs/dbraw/zinc/83/90/04/409839004.db2.gz DGCXLSLHOZKVMY-GRYCIOLGSA-N 2 0 237.347 0.371 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653127929 409840855 /nfs/dbraw/zinc/84/08/55/409840855.db2.gz AAHHDYLBCSQFBI-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000653128577 409841381 /nfs/dbraw/zinc/84/13/81/409841381.db2.gz LWJXDLNDDQGEQU-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653128753 409843034 /nfs/dbraw/zinc/84/30/34/409843034.db2.gz WWVAPZILKLVYKJ-IEBDPFPHSA-N 2 0 225.336 0.371 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]CC1 ZINC000653132504 409849300 /nfs/dbraw/zinc/84/93/00/409849300.db2.gz HZWGWLLYFJHPQC-NEPJUHHUSA-N 2 0 239.363 0.634 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]CC1 ZINC000653132506 409850787 /nfs/dbraw/zinc/85/07/87/409850787.db2.gz HZWGWLLYFJHPQC-RYUDHWBXSA-N 2 0 239.363 0.634 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653136663 409855944 /nfs/dbraw/zinc/85/59/44/409855944.db2.gz ZSEBLZVYXUDXRL-GHMZBOCLSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@@H](CCNC(=O)[C@@H]([NH3+])CC(F)F)[NH+](C)C ZINC000662635455 409806737 /nfs/dbraw/zinc/80/67/37/409806737.db2.gz WEZXWHJSTYOBBC-YUMQZZPRSA-N 2 0 237.294 0.425 20 0 BCADRP C[C@@H](CCNC(=O)CC1CC[NH2+]CC1)[NH+](C)C ZINC000662634925 409807126 /nfs/dbraw/zinc/80/71/26/409807126.db2.gz SVOSUTJOWCDUST-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000662781097 409906370 /nfs/dbraw/zinc/90/63/70/409906370.db2.gz WIPRAFTYPIRDIH-NXEZZACHSA-N 2 0 223.320 0.078 20 0 BCADRP C[NH+](C)CCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662781353 409908032 /nfs/dbraw/zinc/90/80/32/409908032.db2.gz USJJLYLTUHLLSS-UHFFFAOYSA-N 2 0 240.307 0.160 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662783072 409914113 /nfs/dbraw/zinc/91/41/13/409914113.db2.gz NNOXVOZTNAUCKI-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000662783948 409916056 /nfs/dbraw/zinc/91/60/56/409916056.db2.gz SOECJGKKLCVDNC-JGVFFNPUSA-N 2 0 249.305 0.473 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653145056 409866849 /nfs/dbraw/zinc/86/68/49/409866849.db2.gz WRKXDLFJBFUWIR-LPEHRKFASA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653143822 409867231 /nfs/dbraw/zinc/86/72/31/409867231.db2.gz CWCRFLAPEFWIDL-QWRGUYRKSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653143820 409867250 /nfs/dbraw/zinc/86/72/50/409867250.db2.gz CWCRFLAPEFWIDL-GHMZBOCLSA-N 2 0 227.352 0.620 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662719044 409870330 /nfs/dbraw/zinc/87/03/30/409870330.db2.gz VSTNBMNPBRNGRH-GRZMOONWSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662764629 409888074 /nfs/dbraw/zinc/88/80/74/409888074.db2.gz LKXXOFRHGRCDOT-AXFHLTTASA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662764630 409888893 /nfs/dbraw/zinc/88/88/93/409888893.db2.gz LKXXOFRHGRCDOT-DCAQKATOSA-N 2 0 239.363 0.570 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000662771305 409893412 /nfs/dbraw/zinc/89/34/12/409893412.db2.gz WWXPKHAVTDMCNC-OUAUKWLOSA-N 2 0 239.363 0.761 20 0 BCADRP CC[C@@H]1CN(C(=O)CC2([NH3+])CC2)CC[C@@H]1[NH3+] ZINC000662775926 409896198 /nfs/dbraw/zinc/89/61/98/409896198.db2.gz TVTOBYNLNPTBDV-ZJUUUORDSA-N 2 0 225.336 0.454 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)C1CCCC1 ZINC000662813203 409932701 /nfs/dbraw/zinc/93/27/01/409932701.db2.gz LMGYDWLBOHNZHV-DCAQKATOSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@H]1CCCN(C(=O)CC2([NH3+])CC2)[C@@H]1CC[NH3+] ZINC000662828605 409936972 /nfs/dbraw/zinc/93/69/72/409936972.db2.gz GAKQPOZNWSAVBA-WDEREUQCSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@@H]1CCCN(C(=O)CC2([NH3+])CC2)[C@H]1CC[NH3+] ZINC000662828603 409937148 /nfs/dbraw/zinc/93/71/48/409937148.db2.gz GAKQPOZNWSAVBA-MNOVXSKESA-N 2 0 239.363 0.844 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662834190 409943538 /nfs/dbraw/zinc/94/35/38/409943538.db2.gz FOBMYXJRFKQLLM-QJPTWQEYSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662839720 409948058 /nfs/dbraw/zinc/94/80/58/409948058.db2.gz UCGWOIOALRTGJO-WDEREUQCSA-N 2 0 239.363 0.857 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662839717 409948856 /nfs/dbraw/zinc/94/88/56/409948856.db2.gz UCGWOIOALRTGJO-GHMZBOCLSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@]1(NC(=O)c2ccc(C[NH3+])cc2)CC[NH2+]C1 ZINC000663004771 410021930 /nfs/dbraw/zinc/02/19/30/410021930.db2.gz RTGYXGRPVNWPLU-ZDUSSCGKSA-N 2 0 233.315 0.627 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662969355 409998138 /nfs/dbraw/zinc/99/81/38/409998138.db2.gz LXFQDDSUUNLZTQ-DTWKUNHWSA-N 2 0 213.325 0.099 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000662968448 409998373 /nfs/dbraw/zinc/99/83/73/409998373.db2.gz HWQQVSQMNLFYIU-GWCFXTLKSA-N 2 0 247.342 0.598 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662969354 409998909 /nfs/dbraw/zinc/99/89/09/409998909.db2.gz LXFQDDSUUNLZTQ-BDAKNGLRSA-N 2 0 213.325 0.099 20 0 BCADRP C[N@@H+]1CC[C@@H](c2nc([C@@H]3CCC[NH2+]3)no2)C1 ZINC000257902523 487613864 /nfs/dbraw/zinc/61/38/64/487613864.db2.gz DSYDGJAWSUGYPN-BDAKNGLRSA-N 2 0 222.292 0.913 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]CC2)C[C@H]1[NH3+] ZINC000653162016 410097331 /nfs/dbraw/zinc/09/73/31/410097331.db2.gz JNCSCAOHRSSILR-OUAUKWLOSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653162749 410106881 /nfs/dbraw/zinc/10/68/81/410106881.db2.gz FVYVQTIMGZPSDD-MNOVXSKESA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)CC[NH3+] ZINC000653175850 410153377 /nfs/dbraw/zinc/15/33/77/410153377.db2.gz CRIPYAWVKLCHAF-UHFFFAOYSA-N 2 0 215.341 0.429 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000653170375 410139294 /nfs/dbraw/zinc/13/92/94/410139294.db2.gz VZYUNYLFLIHRJN-XSRFYTQQSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)C1 ZINC000655411851 410216193 /nfs/dbraw/zinc/21/61/93/410216193.db2.gz YLKMOCYQIHJLKQ-NQBHXWOUSA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)C1 ZINC000655411852 410216245 /nfs/dbraw/zinc/21/62/45/410216245.db2.gz YLKMOCYQIHJLKQ-NTZNESFSSA-N 2 0 237.347 0.326 20 0 BCADRP CN(C(=O)[C@@H]1C[C@]12CCC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000655415446 410218142 /nfs/dbraw/zinc/21/81/42/410218142.db2.gz NRARZAXXOQLIIS-GVXVVHGQSA-N 2 0 237.347 0.196 20 0 BCADRP CC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[NH2+]C1 ZINC000653193055 410157975 /nfs/dbraw/zinc/15/79/75/410157975.db2.gz BJSYUDUYZWAPEZ-GWCFXTLKSA-N 2 0 237.347 0.183 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653197838 410160761 /nfs/dbraw/zinc/16/07/61/410160761.db2.gz WPFYPPLRWBOMOU-MDZLAQPJSA-N 2 0 239.363 0.429 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)[C@H](C)[NH3+] ZINC000653210741 410165501 /nfs/dbraw/zinc/16/55/01/410165501.db2.gz GRKOYYPQLRWHSU-VIFPVBQESA-N 2 0 221.304 0.369 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)[C@@H](C)C[NH2+]C ZINC000653210936 410165682 /nfs/dbraw/zinc/16/56/82/410165682.db2.gz LXYAOZGAYVPSGF-NSHDSACASA-N 2 0 249.358 0.878 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)CCC[NH3+] ZINC000653210735 410166296 /nfs/dbraw/zinc/16/62/96/410166296.db2.gz GQFLGZHGKPNPOK-UHFFFAOYSA-N 2 0 235.331 0.761 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653221279 410169449 /nfs/dbraw/zinc/16/94/49/410169449.db2.gz PPOYBAQEHONOHK-ZJUUUORDSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+]CC1(CCNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000653221050 410169877 /nfs/dbraw/zinc/16/98/77/410169877.db2.gz FOWHYNKOFHNUOS-MFKMUULPSA-N 2 0 237.347 0.231 20 0 BCADRP CC(C)[C@@H](C(=O)NCCC1(C[NH3+])CC1)[C@H](C)[NH3+] ZINC000653222639 410170960 /nfs/dbraw/zinc/17/09/60/410170960.db2.gz JSWREXGFSGLTLB-WDEREUQCSA-N 2 0 241.379 0.851 20 0 BCADRP [NH3+]CC1(CCNC(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653222880 410171564 /nfs/dbraw/zinc/17/15/64/410171564.db2.gz SZSVJJBZDOILKE-LLVKDONJSA-N 2 0 239.363 0.621 20 0 BCADRP C[C@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653225898 410173565 /nfs/dbraw/zinc/17/35/65/410173565.db2.gz JQDYLMQLZBIYRR-ZETCQYMHSA-N 2 0 225.267 0.248 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000653233099 410175528 /nfs/dbraw/zinc/17/55/28/410175528.db2.gz QFCBTKCROWXMDX-GRYCIOLGSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000653240174 410181541 /nfs/dbraw/zinc/18/15/41/410181541.db2.gz KYCLHHFOZZQWKK-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]1CCCN(C(=O)C[NH2+]C2CC2)[C@@H]1CC[NH3+] ZINC000653239806 410182097 /nfs/dbraw/zinc/18/20/97/410182097.db2.gz FQEFGTVOLYQRKT-CMPLNLGQSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@@H](C)C[NH3+] ZINC000309013135 410198191 /nfs/dbraw/zinc/19/81/91/410198191.db2.gz SPRVDGOOSUBMTE-VIFPVBQESA-N 2 0 201.314 0.086 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538953 410199448 /nfs/dbraw/zinc/19/94/48/410199448.db2.gz BAZFUDSHGWZUKR-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC000653257339 410239536 /nfs/dbraw/zinc/23/95/36/410239536.db2.gz MURFFHBFZFZZQF-JTQLQIEISA-N 2 0 213.325 0.311 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC(CC[NH3+])CC1 ZINC000653257366 410239584 /nfs/dbraw/zinc/23/95/84/410239584.db2.gz SJKGYWCJLGBGSD-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](C[NH3+])NCc1nc2c(s1)C[NH2+]CC2 ZINC000663495997 410274745 /nfs/dbraw/zinc/27/47/45/410274745.db2.gz BVSQSZMIBTVHGI-SSDOTTSWSA-N 2 0 226.349 0.226 20 0 BCADRP [NH3+]C[C@H](NC[C@]12C[C@H]1C[NH2+]C2)C1CCCC1 ZINC000663498475 410276203 /nfs/dbraw/zinc/27/62/03/410276203.db2.gz SYSUBCNFIOADIS-RWMBFGLXSA-N 2 0 223.364 0.703 20 0 BCADRP [NH3+]C[C@H](NC[C@@]12C[C@@H]1C[NH2+]C2)C1CCCC1 ZINC000663498472 410276221 /nfs/dbraw/zinc/27/62/21/410276221.db2.gz SYSUBCNFIOADIS-AGIUHOORSA-N 2 0 223.364 0.703 20 0 BCADRP C[N@@H+](Cc1cccc2c1CCC2)C[C@H](O)C[NH3+] ZINC000650704169 410336053 /nfs/dbraw/zinc/33/60/53/410336053.db2.gz LEYMWQPBOXRVPL-CYBMUJFWSA-N 2 0 234.343 0.927 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707518 410338073 /nfs/dbraw/zinc/33/80/73/410338073.db2.gz HTQHPTFOMOLBMU-AVGNSLFASA-N 3 0 241.379 0.554 20 0 BCADRP [NH3+]CCC[NH+]1CCC(Cn2cnnc2)CC1 ZINC000650710372 410339363 /nfs/dbraw/zinc/33/93/63/410339363.db2.gz NZVUKDNEMHKUOJ-UHFFFAOYSA-N 2 0 223.324 0.339 20 0 BCADRP C[C@@H](CC(=O)N(C)C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713150 410345845 /nfs/dbraw/zinc/34/58/45/410345845.db2.gz HHHSVBZQPJDVRW-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP CCO[C@@H]1C[N@H+](CC(C)(C)COC)C[C@H]1C[NH3+] ZINC000650714581 410346618 /nfs/dbraw/zinc/34/66/18/410346618.db2.gz PFUDZQFPBXCZGQ-VXGBXAGGSA-N 2 0 244.379 0.955 20 0 BCADRP [NH3+]Cc1ccc(CN[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000650716527 410353355 /nfs/dbraw/zinc/35/33/55/410353355.db2.gz BEOKVAOVDFCXAT-LLVKDONJSA-N 2 0 223.295 0.736 20 0 BCADRP C[C@]1(CNC(=O)CC[NH2+]C2CC2)CCC[NH2+]C1 ZINC000655452573 410292263 /nfs/dbraw/zinc/29/22/63/410292263.db2.gz LJFDMTKJEKGDBY-ZDUSSCGKSA-N 2 0 239.363 0.634 20 0 BCADRP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]CCC[NH3+] ZINC000650725027 410360921 /nfs/dbraw/zinc/36/09/21/410360921.db2.gz RTHQRGMIFSVMPS-LLVKDONJSA-N 2 0 235.331 0.701 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650742909 410377257 /nfs/dbraw/zinc/37/72/57/410377257.db2.gz HVHGGWZCTSUZIM-MMWGEVLESA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650742910 410377489 /nfs/dbraw/zinc/37/74/89/410377489.db2.gz HVHGGWZCTSUZIM-UKKRHICBSA-N 2 0 225.336 0.228 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000650743429 410380936 /nfs/dbraw/zinc/38/09/36/410380936.db2.gz SXRQZRJIHGQBST-JTDNOXRMSA-N 2 0 223.320 0.123 20 0 BCADRP CC[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000650743264 410381060 /nfs/dbraw/zinc/38/10/60/410381060.db2.gz PIDOLUJTPYWHNA-VLEAKVRGSA-N 2 0 225.336 0.371 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)c2ccnc(C[NH3+])c2)C1 ZINC000130172199 410394706 /nfs/dbraw/zinc/39/47/06/410394706.db2.gz ZFWVEROFDCSFEO-LLVKDONJSA-N 2 0 248.330 0.364 20 0 BCADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)CC(N)=O ZINC000650760292 410407518 /nfs/dbraw/zinc/40/75/18/410407518.db2.gz ZZAPFFZZQSYNNO-SNVBAGLBSA-N 2 0 235.331 0.760 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000655456493 410507526 /nfs/dbraw/zinc/50/75/26/410507526.db2.gz CYIOPZLCQVYMJD-MWLCHTKSSA-N 2 0 225.336 0.515 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000655457582 410518893 /nfs/dbraw/zinc/51/88/93/410518893.db2.gz ULYWPCPOHYAIPW-VHSXEESVSA-N 2 0 213.325 0.051 20 0 BCADRP CC1(C)COC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000313020707 410575024 /nfs/dbraw/zinc/57/50/24/410575024.db2.gz LTBUMBGSGCEJIF-NWDGAFQWSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000653272330 410539884 /nfs/dbraw/zinc/53/98/84/410539884.db2.gz JGBJGVPYYDNTTH-VIFPVBQESA-N 2 0 213.325 0.087 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000653272329 410539950 /nfs/dbraw/zinc/53/99/50/410539950.db2.gz JGBJGVPYYDNTTH-SECBINFHSA-N 2 0 213.325 0.087 20 0 BCADRP C[C@@H](C(=O)NCCC1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000653272670 410540212 /nfs/dbraw/zinc/54/02/12/410540212.db2.gz YHYVPDWOIZPEPW-ZJUUUORDSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCCCC1 ZINC000653274790 410554367 /nfs/dbraw/zinc/55/43/67/410554367.db2.gz OLHNJFPBAMQITM-GFCCVEGCSA-N 2 0 241.379 0.914 20 0 BCADRP C[NH2+]CCCC(=O)N(C)CC[NH+]1CCCCC1 ZINC000653274384 410554444 /nfs/dbraw/zinc/55/44/44/410554444.db2.gz FBVPBLUZWIVCTD-UHFFFAOYSA-N 2 0 241.379 0.930 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(C)CC[NH+]1CCCCC1 ZINC000653274912 410554478 /nfs/dbraw/zinc/55/44/78/410554478.db2.gz RVIZMCAFHQEZCU-NSHDSACASA-N 2 0 227.352 0.526 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC([NH3+])CC1 ZINC000236837418 169763381 /nfs/dbraw/zinc/76/33/81/169763381.db2.gz GHDNIADIYYBAQT-UHFFFAOYSA-N 2 0 213.325 0.278 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655466120 410665899 /nfs/dbraw/zinc/66/58/99/410665899.db2.gz LQZANYBZRIFANV-JBLDHEPKSA-N 2 0 225.336 0.230 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000655483904 410746436 /nfs/dbraw/zinc/74/64/36/410746436.db2.gz JFKVLIIAPCGQGI-QMMMGPOBSA-N 2 0 239.294 0.509 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655477664 410709562 /nfs/dbraw/zinc/70/95/62/410709562.db2.gz ARNUXVCSZOIERM-ZPFDUUQYSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655479594 410715736 /nfs/dbraw/zinc/71/57/36/410715736.db2.gz FEEDGQZBQHPVFY-ZWNOBZJWSA-N 2 0 239.363 0.620 20 0 BCADRP COC[C@H](CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1)OC ZINC000665234366 410724665 /nfs/dbraw/zinc/72/46/65/410724665.db2.gz BUYUPWBAHJVMMI-GRYCIOLGSA-N 2 0 230.352 0.768 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000655481933 410733616 /nfs/dbraw/zinc/73/36/16/410733616.db2.gz PUKZGEVQONYQOL-UWVGGRQHSA-N 2 0 225.336 0.385 20 0 BCADRP CC[NH+](CC)CC1CCN(C(=O)CC[NH3+])CC1 ZINC000037826222 169769921 /nfs/dbraw/zinc/76/99/21/169769921.db2.gz XRYIMVJAPBNGQR-UHFFFAOYSA-N 2 0 241.379 0.916 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000655481935 410734199 /nfs/dbraw/zinc/73/41/99/410734199.db2.gz PUKZGEVQONYQOL-VHSXEESVSA-N 2 0 225.336 0.385 20 0 BCADRP CCC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000665273897 410743188 /nfs/dbraw/zinc/74/31/88/410743188.db2.gz GKBULXNFVUWTKJ-QJPTWQEYSA-N 2 0 211.353 0.940 20 0 BCADRP Cc1cncc(CC[NH2+][C@@H](C)C2C[NH2+]C2)n1 ZINC000665274002 410744016 /nfs/dbraw/zinc/74/40/16/410744016.db2.gz HHGPUXOSWIAZJC-JTQLQIEISA-N 2 0 220.320 0.525 20 0 BCADRP C[C@@H](NCC12CC(C1)C[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000665280041 410754850 /nfs/dbraw/zinc/75/48/50/410754850.db2.gz RLMPQLJUTNTFGT-ZYGVAYEYSA-N 2 0 209.337 0.469 20 0 BCADRP c1n[nH]cc1CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000393813915 410760659 /nfs/dbraw/zinc/76/06/59/410760659.db2.gz UDVFKNWSAJOWKY-GFCCVEGCSA-N 2 0 220.320 0.638 20 0 BCADRP CC(C)[C@H]([NH3+])CCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000665283415 410763183 /nfs/dbraw/zinc/76/31/83/410763183.db2.gz NHGNUIFFWDIRIG-TUAOUCFPSA-N 2 0 213.369 0.947 20 0 BCADRP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)[C@H]1C[C@H]1C ZINC000665294020 410782381 /nfs/dbraw/zinc/78/23/81/410782381.db2.gz GXLMYCCOJARGIK-WEDXCCLWSA-N 2 0 236.319 0.775 20 0 BCADRP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)[C@@H]1C[C@H]1C ZINC000665294017 410782403 /nfs/dbraw/zinc/78/24/03/410782403.db2.gz GXLMYCCOJARGIK-KHQFGBGNSA-N 2 0 236.319 0.775 20 0 BCADRP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000655493169 410817025 /nfs/dbraw/zinc/81/70/25/410817025.db2.gz DEBGJUVKQGMMQJ-SNVBAGLBSA-N 2 0 227.352 0.666 20 0 BCADRP COCC1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000309304955 410792261 /nfs/dbraw/zinc/79/22/61/410792261.db2.gz VHEPZTIGUXEJHH-TXEJJXNPSA-N 2 0 224.348 0.954 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000655489202 410794614 /nfs/dbraw/zinc/79/46/14/410794614.db2.gz NCCDVPGLXLOXAH-AXFHLTTASA-N 2 0 239.363 0.441 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2(C)C[NH2+]C2)C1 ZINC000655488973 410795529 /nfs/dbraw/zinc/79/55/29/410795529.db2.gz KIHWJLFETMMAGH-AOOOYVTPSA-N 2 0 225.336 0.052 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C[C@@H](C)[NH3+] ZINC000309093320 410859626 /nfs/dbraw/zinc/85/96/26/410859626.db2.gz BXLAGYLEAWLTHU-MRVPVSSYSA-N 2 0 201.314 0.357 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396478054 410881658 /nfs/dbraw/zinc/88/16/58/410881658.db2.gz YOKRVHXWSDQORP-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000336331034 166971196 /nfs/dbraw/zinc/97/11/96/166971196.db2.gz SDBKOZMYYYPSCL-LLVKDONJSA-N 2 0 225.336 0.149 20 0 BCADRP C[C@H](NC(=O)C(C)(C)[NH3+])C1CC[NH+](C)CC1 ZINC000396441483 410882640 /nfs/dbraw/zinc/88/26/40/410882640.db2.gz UWTDGWFKDWLKCI-VIFPVBQESA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000396439626 410882863 /nfs/dbraw/zinc/88/28/63/410882863.db2.gz RPXIBVQAGOIDJA-JQWIXIFHSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](NC(=O)C1([NH3+])CC1)C1CC[NH+](C)CC1 ZINC000396431366 410882947 /nfs/dbraw/zinc/88/29/47/410882947.db2.gz GNFJFHOUGYVWSZ-SECBINFHSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000040673636 410883265 /nfs/dbraw/zinc/88/32/65/410883265.db2.gz SLDDHWCVFFIMCI-VWYCJHECSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC[NH+]1CCCCCC1 ZINC000040768308 410888469 /nfs/dbraw/zinc/88/84/69/410888469.db2.gz NNRUKYOMJHFJLS-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000655495100 410892223 /nfs/dbraw/zinc/89/22/23/410892223.db2.gz TUKSKSUWOAEZSL-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)N(C)C ZINC000396741191 410895534 /nfs/dbraw/zinc/89/55/34/410895534.db2.gz QJRXPOUXGTZISJ-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP CC[NH+](CC)CCNC(=O)C1([NH3+])CCCC1 ZINC000037479369 169778419 /nfs/dbraw/zinc/77/84/19/169778419.db2.gz UXSHFLNUBQYVJV-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP CC(C)N1C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1=O ZINC000332713386 167034108 /nfs/dbraw/zinc/03/41/08/167034108.db2.gz PISCDLQKLWIPOR-TUAOUCFPSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341187886 167050954 /nfs/dbraw/zinc/05/09/54/167050954.db2.gz OIGGANOLGHKZHW-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)NC(=O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000036781494 167060674 /nfs/dbraw/zinc/06/06/74/167060674.db2.gz ZCVMVXRSTLTHDF-LLVKDONJSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[NH2+]CC1 ZINC000037480196 167100530 /nfs/dbraw/zinc/10/05/30/167100530.db2.gz UOHPZYFXDCBKRD-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP CC(C)[NH2+]CCN1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000377068679 167104791 /nfs/dbraw/zinc/10/47/91/167104791.db2.gz SQNALXKKAHSATA-CYBMUJFWSA-N 2 0 243.395 0.373 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)C[NH3+] ZINC000045708901 169784469 /nfs/dbraw/zinc/78/44/69/169784469.db2.gz ZNIOHPMMVKTECQ-VHSXEESVSA-N 2 0 215.341 0.428 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000041680207 169784938 /nfs/dbraw/zinc/78/49/38/169784938.db2.gz OHKVPMLASYLGBD-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP CCC(C)(C)[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000655495413 410913079 /nfs/dbraw/zinc/91/30/79/410913079.db2.gz XVEMFBLFNUXQSM-UHFFFAOYSA-N 2 0 227.352 0.668 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@@H]([NH3+])C1CC1)[NH+](C)C ZINC000137433578 167342747 /nfs/dbraw/zinc/34/27/47/167342747.db2.gz QZKWBWZCAAFRNR-MNOVXSKESA-N 2 0 227.352 0.426 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH3+])[NH+](C)C ZINC000236711114 167343572 /nfs/dbraw/zinc/34/35/72/167343572.db2.gz LKLIFBYWLBFRAT-UWVGGRQHSA-N 2 0 215.341 0.284 20 0 BCADRP CC(C)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000037482593 167368440 /nfs/dbraw/zinc/36/84/40/167368440.db2.gz KAPNGEUVKSTQNH-GFCCVEGCSA-N 2 0 213.369 0.868 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000044808276 167394752 /nfs/dbraw/zinc/39/47/52/167394752.db2.gz JIJVATOIUIPOJK-SNVBAGLBSA-N 2 0 229.368 0.674 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044808500 167397617 /nfs/dbraw/zinc/39/76/17/167397617.db2.gz NNTYKIKJIUBFHF-ZYHUDNBSSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000309252479 167412585 /nfs/dbraw/zinc/41/25/85/167412585.db2.gz FJSZASAGEGUWSQ-KOLCDFICSA-N 2 0 213.325 0.167 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)CCC[NH3+] ZINC000041680142 410934795 /nfs/dbraw/zinc/93/47/95/410934795.db2.gz LLRHWQISPMMZRM-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000309565122 410961261 /nfs/dbraw/zinc/96/12/61/410961261.db2.gz QGFDDSBGDCFTHY-NXEZZACHSA-N 2 0 211.309 0.078 20 0 BCADRP CC[N@H+](CCC1CC[NH2+]CC1)CC(=O)N(C)C ZINC000042516086 411012803 /nfs/dbraw/zinc/01/28/03/411012803.db2.gz IWOVFJUEPKUARV-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH+](C)C ZINC000377745244 167513319 /nfs/dbraw/zinc/51/33/19/167513319.db2.gz BDMBPFNGMXYHIE-NWDGAFQWSA-N 2 0 241.379 0.688 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399000825 411008461 /nfs/dbraw/zinc/00/84/61/411008461.db2.gz CKRGILSSQVXQSF-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP OC[C@H](CCF)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000652025226 411080200 /nfs/dbraw/zinc/08/02/00/411080200.db2.gz WTEHPTSLSAXHIF-SDDRHHMPSA-N 2 0 230.327 0.923 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000309397138 411163049 /nfs/dbraw/zinc/16/30/49/411163049.db2.gz GSDSQRMFABLDNI-GXSJLCMTSA-N 2 0 213.325 0.311 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CC[C@H](C[NH3+])C1 ZINC000309397141 411163220 /nfs/dbraw/zinc/16/32/20/411163220.db2.gz GSDSQRMFABLDNI-MWLCHTKSSA-N 2 0 213.325 0.311 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000044538840 411137174 /nfs/dbraw/zinc/13/71/74/411137174.db2.gz SOMOVYFBDOJDTF-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514364 411137215 /nfs/dbraw/zinc/13/72/15/411137215.db2.gz UHSGCBKDTGYWKT-SNVBAGLBSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC000044526663 411137306 /nfs/dbraw/zinc/13/73/06/411137306.db2.gz RWRGMKSWJLFNBE-GFCCVEGCSA-N 2 0 241.379 0.818 20 0 BCADRP Cn1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nn1 ZINC000400935002 411163424 /nfs/dbraw/zinc/16/34/24/411163424.db2.gz KHIAOYCMXHXFPS-GARJFASQSA-N 2 0 235.335 0.293 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726825 411140133 /nfs/dbraw/zinc/14/01/33/411140133.db2.gz IEFITJFYOJKWMI-DTWKUNHWSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H](C)[NH3+] ZINC000655967789 411164127 /nfs/dbraw/zinc/16/41/27/411164127.db2.gz DQQNQQSBNCUOKE-ZRUFSTJUSA-N 2 0 242.367 0.362 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000659549716 411152846 /nfs/dbraw/zinc/15/28/46/411152846.db2.gz ODGXPLIHXVUUFF-IVZWLZJFSA-N 2 0 230.356 0.395 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](C)C[NH2+]C)C1 ZINC000092136966 169801701 /nfs/dbraw/zinc/80/17/01/169801701.db2.gz IIVZVBUWXSMTCC-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000309381018 411120510 /nfs/dbraw/zinc/12/05/10/411120510.db2.gz DIDQKLCHAYJUDQ-IJLUTSLNSA-N 2 0 211.353 0.655 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)CC1([NH3+])CCC1 ZINC000309386574 411120749 /nfs/dbraw/zinc/12/07/49/411120749.db2.gz FDYCJFVBIYAVHK-SECBINFHSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000309382742 411121171 /nfs/dbraw/zinc/12/11/71/411121171.db2.gz DMJCPPGDZCSAQP-ZJUUUORDSA-N 2 0 213.325 0.311 20 0 BCADRP CC[NH2+]CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652204523 411168273 /nfs/dbraw/zinc/16/82/73/411168273.db2.gz UWCRZKVXRDCYHS-UHFFFAOYSA-N 2 0 228.340 0.024 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000309406500 411242342 /nfs/dbraw/zinc/24/23/42/411242342.db2.gz HZHSIDZDMILYHF-BDAKNGLRSA-N 2 0 213.325 0.310 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)NCC[NH3+] ZINC000652201946 411170975 /nfs/dbraw/zinc/17/09/75/411170975.db2.gz VDYSNBFVSZTNME-UHFFFAOYSA-N 2 0 236.319 0.164 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)NCCC1(C[NH3+])CC1 ZINC000652211651 411172458 /nfs/dbraw/zinc/17/24/58/411172458.db2.gz GVOLXAMDNYQZMY-SECBINFHSA-N 2 0 228.340 0.152 20 0 BCADRP CNC(=O)CC[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000401039609 411173432 /nfs/dbraw/zinc/17/34/32/411173432.db2.gz GDEAWIQWQCJSDA-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP O=C1NCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401022628 411173676 /nfs/dbraw/zinc/17/36/76/411173676.db2.gz YNWFJYYYTPFYGP-KXNHARMFSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1nncn1C ZINC000401050629 411174701 /nfs/dbraw/zinc/17/47/01/411174701.db2.gz XYTVYQBKUCCGNF-FIQHERPVSA-N 2 0 249.362 0.854 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652231673 411176698 /nfs/dbraw/zinc/17/66/98/411176698.db2.gz CFTQRVNJACYWOF-SECBINFHSA-N 2 0 228.340 0.104 20 0 BCADRP Cn1nccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401137476 411178120 /nfs/dbraw/zinc/17/81/20/411178120.db2.gz RECOEWACXYJORF-IJLUTSLNSA-N 2 0 234.347 0.898 20 0 BCADRP CN(CC[NH+](C)C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652239815 411178342 /nfs/dbraw/zinc/17/83/42/411178342.db2.gz FPQASPALESAJGP-UHFFFAOYSA-N 2 0 242.367 0.318 20 0 BCADRP c1cnn(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401123237 411178372 /nfs/dbraw/zinc/17/83/72/411178372.db2.gz KOAGCIOESACSDC-FRRDWIJNSA-N 2 0 234.347 0.861 20 0 BCADRP CC[C@@H](C(N)=O)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309597506 411179173 /nfs/dbraw/zinc/17/91/73/411179173.db2.gz VDCOLQXDOPJFHW-AXFHLTTASA-N 2 0 225.336 0.182 20 0 BCADRP C[N@H+](CCNC(=O)CC1CC[NH2+]CC1)C1CC1 ZINC000062010150 411186394 /nfs/dbraw/zinc/18/63/94/411186394.db2.gz IWKQUMOIQJJVSG-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CC2(O)CCC2)C1 ZINC000656153001 411188388 /nfs/dbraw/zinc/18/83/88/411188388.db2.gz GGKJEYOUHWJQBM-PHIMTYICSA-N 2 0 212.337 0.831 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000659291076 411191316 /nfs/dbraw/zinc/19/13/16/411191316.db2.gz NZQUMGKQHCHQIQ-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656193871 411199350 /nfs/dbraw/zinc/19/93/50/411199350.db2.gz WMHVJIPJCXHERE-FRRDWIJNSA-N 2 0 241.379 0.111 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000656193168 411199394 /nfs/dbraw/zinc/19/93/94/411199394.db2.gz WJCHGNPZGLXFAL-WOPDTQHZSA-N 2 0 211.353 0.988 20 0 BCADRP CC(C)(C)[NH2+]CCN[C@@H](C[NH3+])C(F)(F)F ZINC000656194145 411199854 /nfs/dbraw/zinc/19/98/54/411199854.db2.gz HUZRVVJFHFYAJI-ZETCQYMHSA-N 2 0 227.274 0.854 20 0 BCADRP [NH3+]C[C@H](NCC1(C[NH3+])CC1)C(F)(F)F ZINC000656194787 411201007 /nfs/dbraw/zinc/20/10/07/411201007.db2.gz OPFQEUXDVBBTDG-LURJTMIESA-N 2 0 211.231 0.205 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(COC)CC1 ZINC000656199669 411203220 /nfs/dbraw/zinc/20/32/20/411203220.db2.gz ARMMSMFOLOEVHE-LLVKDONJSA-N 2 0 230.352 0.757 20 0 BCADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CN(C)CCO1 ZINC000656198169 411203528 /nfs/dbraw/zinc/20/35/28/411203528.db2.gz IXDZWDLTPPHPOE-RVMXOQNASA-N 2 0 241.379 0.565 20 0 BCADRP Cn1cnc(CCC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000656200446 411205326 /nfs/dbraw/zinc/20/53/26/411205326.db2.gz QDCQNKOPAUELLE-GHMZBOCLSA-N 2 0 237.351 0.607 20 0 BCADRP CN(Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H](O)C[NH3+] ZINC000652341096 411205605 /nfs/dbraw/zinc/20/56/05/411205605.db2.gz BPGDVOXUETYJMD-AWEZNQCLSA-N 2 0 249.358 0.084 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000658029135 411205636 /nfs/dbraw/zinc/20/56/36/411205636.db2.gz GOZNTCUDPHZNFG-ODWCKFRGSA-N 2 0 249.362 0.881 20 0 BCADRP [NH3+]CCN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349250 411211108 /nfs/dbraw/zinc/21/11/08/411211108.db2.gz HVDDOKXVRZOAJX-QJPTWQEYSA-N 2 0 227.352 0.163 20 0 BCADRP C[C@@H]1CCC[N@H+](CCOCC[NH3+])[C@@H]1CC[NH3+] ZINC000652355975 411215358 /nfs/dbraw/zinc/21/53/58/411215358.db2.gz OIPUSRZBZGEIRO-VXGBXAGGSA-N 3 0 229.368 0.411 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000658045545 411217397 /nfs/dbraw/zinc/21/73/97/411217397.db2.gz FREOVGOUYXNHAM-UTUOFQBUSA-N 2 0 237.351 0.596 20 0 BCADRP C[C@@H]([NH3+])CN1CCC[C@H](c2ccnc(N)n2)C1 ZINC000583935226 411246767 /nfs/dbraw/zinc/24/67/67/411246767.db2.gz YBAVMKCPYCGZQT-ZJUUUORDSA-N 2 0 235.335 0.585 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000659294585 411221651 /nfs/dbraw/zinc/22/16/51/411221651.db2.gz MKZVDDTWNSFCCB-MNOVXSKESA-N 2 0 243.351 0.079 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659295455 411225527 /nfs/dbraw/zinc/22/55/27/411225527.db2.gz SEAKIFXZRRYEFA-LBPRGKRZSA-N 2 0 239.363 0.680 20 0 BCADRP CO[C@](C)(CO)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000655785697 411227660 /nfs/dbraw/zinc/22/76/60/411227660.db2.gz NDUVEUHFGMHDGG-AVGNSLFASA-N 2 0 242.363 0.600 20 0 BCADRP CC(C)[N@H+](C)CCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422884535 411233444 /nfs/dbraw/zinc/23/34/44/411233444.db2.gz XFYCVSAMCSYKIH-NWDGAFQWSA-N 2 0 213.369 0.914 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000659612356 411236222 /nfs/dbraw/zinc/23/62/22/411236222.db2.gz WDLJTHMKBDDHCT-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(CO)OC)[C@H](C)C1 ZINC000655787464 411236298 /nfs/dbraw/zinc/23/62/98/411236298.db2.gz WEKLEHODSRCPKP-AGIUHOORSA-N 2 0 244.379 0.704 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CCO)C1 ZINC000310422144 411236584 /nfs/dbraw/zinc/23/65/84/411236584.db2.gz QVIBSFNSRAYOOJ-STQMWFEESA-N 2 0 244.379 0.393 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CCC([NH+](C)C)CC1 ZINC000310477353 411237977 /nfs/dbraw/zinc/23/79/77/411237977.db2.gz CBOLPLWELUXRSP-ZDUSSCGKSA-N 2 0 243.395 0.325 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655971229 411165490 /nfs/dbraw/zinc/16/54/90/411165490.db2.gz XLATXOLVIKKHQJ-GARJFASQSA-N 2 0 242.367 0.315 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000655971234 411165585 /nfs/dbraw/zinc/16/55/85/411165585.db2.gz XSYOHNANSXAINV-MXWKQRLJSA-N 2 0 240.351 0.069 20 0 BCADRP C1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CO1 ZINC000400904772 411165625 /nfs/dbraw/zinc/16/56/25/411165625.db2.gz ADJWNNOYCBIPDE-YFKTTZPYSA-N 2 0 210.321 0.753 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@H](C)[NH3+])[NH+](C)C ZINC000309538322 411166374 /nfs/dbraw/zinc/16/63/74/411166374.db2.gz FXKXQACYTIEBEZ-IUCAKERBSA-N 2 0 201.314 0.036 20 0 BCADRP OCCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400959458 411166438 /nfs/dbraw/zinc/16/64/38/411166438.db2.gz AGUUZQMXGACDMH-IJLUTSLNSA-N 2 0 212.337 0.737 20 0 BCADRP Cn1cnc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000400956624 411166604 /nfs/dbraw/zinc/16/66/04/411166604.db2.gz YVXIOHQQDOCLKX-JHJVBQTASA-N 2 0 248.374 0.940 20 0 BCADRP CC(C)[C@H]([NH3+])c1cn(C2CC[NH2+]CC2)nn1 ZINC000656457408 411266813 /nfs/dbraw/zinc/26/68/13/411266813.db2.gz WFWZLFLOLPQSNZ-NSHDSACASA-N 2 0 223.324 0.858 20 0 BCADRP C[C@@H]([NH3+])Cn1cc(CN2CCCC2)nn1 ZINC000656462246 411270983 /nfs/dbraw/zinc/27/09/83/411270983.db2.gz BGVROIKWFVBBRP-SECBINFHSA-N 2 0 209.297 0.221 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)C(C)(C)[NH3+] ZINC000652559423 411271909 /nfs/dbraw/zinc/27/19/09/411271909.db2.gz PTIJFXKZPQKCLC-UHFFFAOYSA-N 2 0 229.368 0.818 20 0 BCADRP [NH3+]CCCCCn1cc(C2CC[NH2+]CC2)nn1 ZINC000656452392 411273317 /nfs/dbraw/zinc/27/33/17/411273317.db2.gz GJNGCWGFGGHUHM-UHFFFAOYSA-N 2 0 237.351 0.874 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)C[NH2+]C ZINC000659642456 411277603 /nfs/dbraw/zinc/27/76/03/411277603.db2.gz KOVQFQPUKLEUSO-MNOVXSKESA-N 2 0 242.367 0.330 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000659642586 411277723 /nfs/dbraw/zinc/27/77/23/411277723.db2.gz YCONLZLTCCMCCS-MNOVXSKESA-N 2 0 242.367 0.187 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000659642118 411277748 /nfs/dbraw/zinc/27/77/48/411277748.db2.gz JJNJNTYFVZTHRI-UWVGGRQHSA-N 2 0 242.367 0.363 20 0 BCADRP c1c([C@@H]2CCC[NH2+]C2)nnn1[C@H]1CCC[NH2+]C1 ZINC000656466299 411278684 /nfs/dbraw/zinc/27/86/84/411278684.db2.gz BTMVSIPHPKORPH-MNOVXSKESA-N 2 0 235.335 0.670 20 0 BCADRP COC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226328069 411278848 /nfs/dbraw/zinc/27/88/48/411278848.db2.gz MCIHDRVYIHVLPG-ZJUUUORDSA-N 2 0 214.309 0.609 20 0 BCADRP CCC[C@@H]([NH3+])c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000656467843 411279446 /nfs/dbraw/zinc/27/94/46/411279446.db2.gz GGSIBJINVPOCKX-DTWKUNHWSA-N 2 0 209.297 0.612 20 0 BCADRP CCC[C@H]([NH3+])c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000656467841 411279695 /nfs/dbraw/zinc/27/96/95/411279695.db2.gz GGSIBJINVPOCKX-BDAKNGLRSA-N 2 0 209.297 0.612 20 0 BCADRP CCNC(=O)C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000051919224 411286345 /nfs/dbraw/zinc/28/63/45/411286345.db2.gz TYFPHOWUZKUHRB-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CCC(C)([NH3+])CC1 ZINC000659643262 411292692 /nfs/dbraw/zinc/29/26/92/411292692.db2.gz PQAWWNXIEYXPNA-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NC(C)(C)C[NH+](C)C ZINC000659643588 411293728 /nfs/dbraw/zinc/29/37/28/411293728.db2.gz SKWOYHDSASBITI-SECBINFHSA-N 2 0 230.356 0.234 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000659302336 411294262 /nfs/dbraw/zinc/29/42/62/411294262.db2.gz ICSISVMCUKCSLY-SRVKXCTJSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NC1(C)CC[NH2+]CC1 ZINC000659644096 411295448 /nfs/dbraw/zinc/29/54/48/411295448.db2.gz VPTJCCBUDYIKRO-VIFPVBQESA-N 2 0 228.340 0.036 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(=O)N2)[C@@H](C)C1 ZINC000658259669 411318045 /nfs/dbraw/zinc/31/80/45/411318045.db2.gz NGGNMRYGWZBUBD-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](O)C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062071235 411325948 /nfs/dbraw/zinc/32/59/48/411325948.db2.gz QNLCOZZPVGXVTB-WDEREUQCSA-N 2 0 200.326 0.689 20 0 BCADRP [NH3+]CCCn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000656436289 411248780 /nfs/dbraw/zinc/24/87/80/411248780.db2.gz VDHVBYSSHAHBHG-SNVBAGLBSA-N 2 0 223.324 0.169 20 0 BCADRP C[C@@H]([NH2+]C/C=C/CO)C1CC[NH+](C)CC1 ZINC000658131728 411254897 /nfs/dbraw/zinc/25/48/97/411254897.db2.gz DBZYDSAALRJPLN-PGLGOXFNSA-N 2 0 212.337 0.855 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000653444606 411255740 /nfs/dbraw/zinc/25/57/40/411255740.db2.gz ZHGUPCOHGZLPCE-IMSYWVGJSA-N 2 0 211.309 0.062 20 0 BCADRP [NH3+]CCCCn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000656439098 411255968 /nfs/dbraw/zinc/25/59/68/411255968.db2.gz JQEJKDRTMYTXOY-NSHDSACASA-N 2 0 237.351 0.559 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ccnc(N)c2)C[C@H]1C[NH3+] ZINC000631838993 411259926 /nfs/dbraw/zinc/25/99/26/411259926.db2.gz YAUNRGUTNJJPHI-MWLCHTKSSA-N 2 0 220.320 0.690 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000659324330 411352807 /nfs/dbraw/zinc/35/28/07/411352807.db2.gz HPPUXXNCQKMDRI-UWVGGRQHSA-N 2 0 245.367 0.228 20 0 BCADRP CC[C@@H]1C[N@H+](CCOCC[NH3+])[C@@H](CC)CO1 ZINC000403791896 411360088 /nfs/dbraw/zinc/36/00/88/411360088.db2.gz IQCQJDOTOHGTAF-NWDGAFQWSA-N 2 0 230.352 0.851 20 0 BCADRP C[C@@H]1C[C@@H](C[N@H+](C)C[C@H]2COCCO2)CC[NH2+]1 ZINC000656790583 411370671 /nfs/dbraw/zinc/37/06/71/411370671.db2.gz BSEVCROAIRLBNZ-AGIUHOORSA-N 2 0 242.363 0.722 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973218 411334760 /nfs/dbraw/zinc/33/47/60/411334760.db2.gz HTUATTLSXXEGFO-GHMZBOCLSA-N 2 0 225.336 0.420 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH2+]C[C@@]1(C)CC1(F)F ZINC000656710568 411335745 /nfs/dbraw/zinc/33/57/45/411335745.db2.gz KAFOOKPBFRNRKS-VHSXEESVSA-N 2 0 236.306 0.934 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000069839785 411371989 /nfs/dbraw/zinc/37/19/89/411371989.db2.gz AILKYRUDLVTWTG-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000130492872 411343220 /nfs/dbraw/zinc/34/32/20/411343220.db2.gz LRLSJUZKEPWLJN-RYUDHWBXSA-N 2 0 241.379 0.831 20 0 BCADRP CC1(NC(=O)[C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000193375610 168057705 /nfs/dbraw/zinc/05/77/05/168057705.db2.gz MUZZDSLXXPZNTA-SNVBAGLBSA-N 2 0 225.336 0.244 20 0 BCADRP CC1CC[NH+](CCCCNC(=O)C[NH3+])CC1 ZINC000236625981 168178730 /nfs/dbraw/zinc/17/87/30/168178730.db2.gz CSZJKKHVXHUHPP-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP CC1CC[NH+](CCCNC(=O)C(C)(C)[NH3+])CC1 ZINC000040925292 168179889 /nfs/dbraw/zinc/17/98/89/168179889.db2.gz GMONQIUVJSHTSJ-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC[NH+]1CCC(C)CC1 ZINC000070317351 168181277 /nfs/dbraw/zinc/18/12/77/168181277.db2.gz OLISDKZMAYFVJK-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP CC1CC[NH+](CCNC(=O)C2([NH3+])CCC2)CC1 ZINC000148078638 168181817 /nfs/dbraw/zinc/18/18/17/168181817.db2.gz LYDJDDXROHKMGE-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H](CNC(=O)C1([NH3+])CC1)[NH+]1CCC(C)CC1 ZINC000236716022 168186388 /nfs/dbraw/zinc/18/63/88/168186388.db2.gz IWGYSBIELJMHBT-NSHDSACASA-N 2 0 239.363 0.714 20 0 BCADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)N[C@H]1CC[NH2+]C1 ZINC000659302001 411390632 /nfs/dbraw/zinc/39/06/32/411390632.db2.gz BDFYXSCIKLFZSM-WCQYABFASA-N 2 0 245.326 0.699 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000069633763 411457680 /nfs/dbraw/zinc/45/76/80/411457680.db2.gz HDMUCWVRHZOXBF-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1CCN(C(=O)C[NH2+]C2CC2)[C@H](C[NH3+])C1 ZINC000659378665 411392803 /nfs/dbraw/zinc/39/28/03/411392803.db2.gz SSUOIGRLTPTOHE-KOLCDFICSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1CCC[N@H+](CCn2cncn2)[C@@H]1CC[NH3+] ZINC000404413792 411394663 /nfs/dbraw/zinc/39/46/63/411394663.db2.gz ZPKQQIRBGZZKIB-NWDGAFQWSA-N 2 0 237.351 0.727 20 0 BCADRP C[C@@H]1CCC[N@H+](CC(=O)N(C)C)[C@@H]1CC[NH3+] ZINC000404436055 411396311 /nfs/dbraw/zinc/39/63/11/411396311.db2.gz RKDUCOVTRWDPMU-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H](C(=O)N1CCC(C)([NH3+])CC1)[C@H](C)[NH3+] ZINC000309449464 411396634 /nfs/dbraw/zinc/39/66/34/411396634.db2.gz MDYZMKIODSRZSM-BDAKNGLRSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000309446301 411397164 /nfs/dbraw/zinc/39/71/64/411397164.db2.gz LLMMNHHTCLVQGW-BDAKNGLRSA-N 2 0 213.325 0.310 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCC1CC[NH2+]CC1 ZINC000653044515 411401260 /nfs/dbraw/zinc/40/12/60/411401260.db2.gz KIBIKMCNWZYMMS-NWDGAFQWSA-N 2 0 239.363 0.620 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000653044041 411401421 /nfs/dbraw/zinc/40/14/21/411401421.db2.gz PBXCWLBLVFSNKZ-UTUOFQBUSA-N 2 0 237.347 0.337 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000653046380 411402327 /nfs/dbraw/zinc/40/23/27/411402327.db2.gz XMFNKXYUODIBJJ-NEPJUHHUSA-N 2 0 239.363 0.492 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000653046117 411402946 /nfs/dbraw/zinc/40/29/46/411402946.db2.gz IHQVYFYMVAUTQJ-GRYCIOLGSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000126883928 411461520 /nfs/dbraw/zinc/46/15/20/411461520.db2.gz DQODFOPTIOEVDE-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653047738 411404007 /nfs/dbraw/zinc/40/40/07/411404007.db2.gz PAKHCHXVJKMWLF-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653048506 411404070 /nfs/dbraw/zinc/40/40/70/411404070.db2.gz FKRISYNSVCLLQX-GFCCVEGCSA-N 2 0 241.379 0.880 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653047741 411404234 /nfs/dbraw/zinc/40/42/34/411404234.db2.gz PAKHCHXVJKMWLF-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653048759 411405033 /nfs/dbraw/zinc/40/50/33/411405033.db2.gz YDTCVCHQQAFBAC-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000653050792 411405167 /nfs/dbraw/zinc/40/51/67/411405167.db2.gz WZTMYBBLRUIHHB-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653053141 411405915 /nfs/dbraw/zinc/40/59/15/411405915.db2.gz WPFPPDHQCLSRDA-YPMHNXCESA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653053821 411406252 /nfs/dbraw/zinc/40/62/52/411406252.db2.gz MDIPTLAXPMFDFE-ZJUUUORDSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659378653 411406385 /nfs/dbraw/zinc/40/63/85/411406385.db2.gz PKFVEAXFMWPROP-YTWAJWBKSA-N 2 0 227.352 0.556 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653053833 411406417 /nfs/dbraw/zinc/40/64/17/411406417.db2.gz MXKHEXRYSTZGJA-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653054585 411407185 /nfs/dbraw/zinc/40/71/85/411407185.db2.gz ASLRFZJHGUIOLE-NSHDSACASA-N 2 0 241.379 0.819 20 0 BCADRP C[C@@H](C(=O)NC(C)(C)C[NH+]1CCCC1)[NH+](C)C ZINC000654521864 411408143 /nfs/dbraw/zinc/40/81/43/411408143.db2.gz PKJRCRARPZXDQE-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP [NH3+][C@@H]1CN(C(=O)C2([NH3+])CCCCC2)CC[C@H]1F ZINC000659388653 411410295 /nfs/dbraw/zinc/41/02/95/411410295.db2.gz MDEGPSCWMSASRZ-NXEZZACHSA-N 2 0 243.326 0.546 20 0 BCADRP CC[NH+]1CCC(NC(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659428102 411413696 /nfs/dbraw/zinc/41/36/96/411413696.db2.gz WZVJGSYMBIIIHF-SNVBAGLBSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659444894 411415237 /nfs/dbraw/zinc/41/52/37/411415237.db2.gz BTIXJZLLPZBPHH-SNVBAGLBSA-N 2 0 244.383 0.705 20 0 BCADRP CC[N@H+](CCNC(=O)N[C@@H](C)C[NH2+]C)C1CC1 ZINC000659448151 411416430 /nfs/dbraw/zinc/41/64/30/411416430.db2.gz MIZZWNAYIPBSAQ-JTQLQIEISA-N 2 0 242.367 0.378 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659456777 411417265 /nfs/dbraw/zinc/41/72/65/411417265.db2.gz SFSIYPAFPMCLNH-UWVGGRQHSA-N 2 0 240.351 0.130 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659456779 411417367 /nfs/dbraw/zinc/41/73/67/411417367.db2.gz SFSIYPAFPMCLNH-ZJUUUORDSA-N 2 0 240.351 0.130 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000659485170 411420289 /nfs/dbraw/zinc/42/02/89/411420289.db2.gz BRTAGJAJQSAYQY-JTQLQIEISA-N 2 0 242.367 0.378 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000659507301 411424006 /nfs/dbraw/zinc/42/40/06/411424006.db2.gz GVCIWLBGZOEVNO-UHFFFAOYSA-N 2 0 242.367 0.365 20 0 BCADRP [NH3+]C1(CNC(=O)NC[C@H]2CCC[NH2+]2)CCCC1 ZINC000659514872 411426606 /nfs/dbraw/zinc/42/66/06/411426606.db2.gz FVJDPIMRIDADPT-SNVBAGLBSA-N 2 0 240.351 0.309 20 0 BCADRP CCC[NH2+]CCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659524543 411428383 /nfs/dbraw/zinc/42/83/83/411428383.db2.gz DAMUGUAEEZPIFT-UHFFFAOYSA-N 2 0 230.356 0.365 20 0 BCADRP [NH3+][C@H](CCC(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000126343823 411431152 /nfs/dbraw/zinc/43/11/52/411431152.db2.gz PIDHOQCRGPGUJR-CHWSQXEVSA-N 2 0 247.342 0.945 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659535986 411431252 /nfs/dbraw/zinc/43/12/52/411431252.db2.gz DBINSWTXRLVFPR-GRZMOONWSA-N 2 0 240.351 0.117 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000659533957 411431413 /nfs/dbraw/zinc/43/14/13/411431413.db2.gz ZQMCVKFKJDSNMY-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCCCCC1 ZINC000126353909 411431746 /nfs/dbraw/zinc/43/17/46/411431746.db2.gz HFSXAIFPNUDEKD-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP CCO[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000405513485 411432870 /nfs/dbraw/zinc/43/28/70/411432870.db2.gz GNUCMPZQOUIYHK-JHJVBQTASA-N 2 0 242.363 0.851 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659551078 411434604 /nfs/dbraw/zinc/43/46/04/411434604.db2.gz SVNLXAWLEQNXDY-ZNSHCXBVSA-N 2 0 242.367 0.491 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659555230 411435429 /nfs/dbraw/zinc/43/54/29/411435429.db2.gz ZGHRDGYXFWUQSA-VIFPVBQESA-N 2 0 230.356 0.493 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC1([NH3+])CCCC1 ZINC000659557484 411436238 /nfs/dbraw/zinc/43/62/38/411436238.db2.gz YLSRHEVCGVYZBW-UWVGGRQHSA-N 2 0 242.367 0.683 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)NCC1([NH3+])CCCC1 ZINC000659575487 411439521 /nfs/dbraw/zinc/43/95/21/411439521.db2.gz OQCSUJFRLJHESV-UHFFFAOYSA-N 2 0 242.367 0.685 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659579297 411439569 /nfs/dbraw/zinc/43/95/69/411439569.db2.gz YWGXBNHEAJCCFH-SNVBAGLBSA-N 2 0 240.351 0.248 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000659611148 411441413 /nfs/dbraw/zinc/44/14/13/411441413.db2.gz PTOWBAKJDYTUGX-MNOVXSKESA-N 2 0 240.351 0.213 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000405827619 411441927 /nfs/dbraw/zinc/44/19/27/411441927.db2.gz YMHVFJLAIZRFGQ-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)NC(C)(C)C[NH3+] ZINC000659617934 411442166 /nfs/dbraw/zinc/44/21/66/411442166.db2.gz BKGLMYGDGFOLHH-SECBINFHSA-N 2 0 230.356 0.396 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)NCC[C@H](C)[NH3+] ZINC000659619435 411442450 /nfs/dbraw/zinc/44/24/50/411442450.db2.gz OZDTZUIQXJHUFP-VHSXEESVSA-N 2 0 230.356 0.396 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000659618252 411442508 /nfs/dbraw/zinc/44/25/08/411442508.db2.gz FEDWNIBDMDSMOW-NXEZZACHSA-N 2 0 228.340 0.102 20 0 BCADRP CCO[C@@H]1C[N@H+](CCc2cccnc2)C[C@H]1C[NH3+] ZINC000405825356 411442756 /nfs/dbraw/zinc/44/27/56/411442756.db2.gz XUQZKWSRMGMKMN-ZIAGYGMSSA-N 2 0 249.358 0.920 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000659641197 411446233 /nfs/dbraw/zinc/44/62/33/411446233.db2.gz DSIOOZXTNOXVEU-AXFHLTTASA-N 2 0 242.367 0.506 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000659644724 411446648 /nfs/dbraw/zinc/44/66/48/411446648.db2.gz YONMVBNRFRLXAG-MNOVXSKESA-N 2 0 242.367 0.365 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000659642504 411447169 /nfs/dbraw/zinc/44/71/69/411447169.db2.gz LBRCYBAUFMPURI-MXWKQRLJSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]([NH3+])c1ccccc1 ZINC000126670477 411452158 /nfs/dbraw/zinc/45/21/58/411452158.db2.gz BLYYWDKBJQXLNE-RAIGVLPGSA-N 2 0 247.342 0.801 20 0 BCADRP O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CCC[NH2+]CC1 ZINC000407252775 411476277 /nfs/dbraw/zinc/47/62/77/411476277.db2.gz HVHDLLNKLHAJBS-VXGBXAGGSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407322067 411479579 /nfs/dbraw/zinc/47/95/79/411479579.db2.gz JVUKWSIVBOPGJK-GHMZBOCLSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407348891 411481145 /nfs/dbraw/zinc/48/11/45/411481145.db2.gz LXKHMRHUBBAHSR-VXGBXAGGSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](C)C(C)(C)C2)C1 ZINC000655051500 411485491 /nfs/dbraw/zinc/48/54/91/411485491.db2.gz DDOBNDQQWRPRPN-NSHDSACASA-N 2 0 239.363 0.491 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000659529225 411486196 /nfs/dbraw/zinc/48/61/96/411486196.db2.gz JAHNURMDKFVCJB-UHFFFAOYSA-N 2 0 228.340 0.247 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000659530042 411489108 /nfs/dbraw/zinc/48/91/08/411489108.db2.gz NMVQXPORAPNDKF-PWSUYJOCSA-N 2 0 242.367 0.283 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000133783918 169952711 /nfs/dbraw/zinc/95/27/11/169952711.db2.gz JWYREZNXSUNHOW-QWRGUYRKSA-N 2 0 241.379 0.912 20 0 BCADRP CC[NH+]1CCC(NC(=O)C[NH2+]CC2CC2)CC1 ZINC000038098310 169953224 /nfs/dbraw/zinc/95/32/24/169953224.db2.gz GGCABMGXOZXNPT-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP c1cncc([C@@H]2C[NH2+]CCN2C[C@H]2CC[NH2+]C2)c1 ZINC000647952927 411495198 /nfs/dbraw/zinc/49/51/98/411495198.db2.gz FPCPAGLVGRLYSO-JSGCOSHPSA-N 2 0 246.358 0.637 20 0 BCADRP CN(CCC[NH3+])C(=O)CC[C@H]1CC[NH2+]C1 ZINC000309471680 411497609 /nfs/dbraw/zinc/49/76/09/411497609.db2.gz RDLLIGLESCGZOE-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP CC1(C)C[NH2+]CCN1C[C@H]1CCC[NH2+]C1 ZINC000309483293 411498964 /nfs/dbraw/zinc/49/89/64/411498964.db2.gz FIAMUIFOMSILAV-NSHDSACASA-N 2 0 211.353 0.670 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659536090 411501991 /nfs/dbraw/zinc/50/19/91/411501991.db2.gz FFTUATBWUXIBQX-OPRDCNLKSA-N 2 0 246.330 0.065 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000127679589 411502118 /nfs/dbraw/zinc/50/21/18/411502118.db2.gz NVPMFRBYWDTFNU-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000127679373 411502282 /nfs/dbraw/zinc/50/22/82/411502282.db2.gz NVPMFRBYWDTFNU-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP COC[C@@H](C[N@H+](C)C[C@H]1CCC[NH+](C)C1)OC ZINC000659947058 411507413 /nfs/dbraw/zinc/50/74/13/411507413.db2.gz JNUUQPXCHKVTJB-QWHCGFSZSA-N 2 0 244.379 0.921 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000659542200 411509530 /nfs/dbraw/zinc/50/95/30/411509530.db2.gz YUBBMDQBOHHIDA-NXEZZACHSA-N 2 0 228.340 0.247 20 0 BCADRP CC[C@@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)CO1 ZINC000657437856 411510049 /nfs/dbraw/zinc/51/00/49/411510049.db2.gz LZTGIXDDXQGFPP-VXGBXAGGSA-N 2 0 230.352 0.722 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000659543778 411511846 /nfs/dbraw/zinc/51/18/46/411511846.db2.gz RIROXRBRBGXJLF-GXSJLCMTSA-N 2 0 242.367 0.411 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)NC/C=C\C[NH3+] ZINC000659545036 411512334 /nfs/dbraw/zinc/51/23/34/411512334.db2.gz ZMRGHKHGJSZNRS-UMBAGQNISA-N 2 0 228.340 0.174 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638927146 411513778 /nfs/dbraw/zinc/51/37/78/411513778.db2.gz RPXBLFXTLDNMSR-OUAUKWLOSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]1 ZINC000638925170 411514089 /nfs/dbraw/zinc/51/40/89/411514089.db2.gz JNOSISHXIANNBC-JFGNBEQYSA-N 2 0 223.320 0.091 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]([NH3+])CC)C1 ZINC000659547112 411517049 /nfs/dbraw/zinc/51/70/49/411517049.db2.gz AUTZHMRIFXFOFZ-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]([NH3+])CC)C1 ZINC000659547115 411517213 /nfs/dbraw/zinc/51/72/13/411517213.db2.gz AUTZHMRIFXFOFZ-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3c[nH]nn3)CC[C@H]21 ZINC000660012799 411527265 /nfs/dbraw/zinc/52/72/65/411527265.db2.gz UPQDYUNEHARQQF-WCQYABFASA-N 2 0 249.362 0.763 20 0 BCADRP C[C@H](CNC(=O)CCC(C)(C)[NH3+])[NH+](C)C ZINC000069633863 411465353 /nfs/dbraw/zinc/46/53/53/411465353.db2.gz ZOIOJJLIPWNGLZ-SECBINFHSA-N 2 0 215.341 0.570 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000037484131 170008129 /nfs/dbraw/zinc/00/81/29/170008129.db2.gz KQCMRFTWAQBPCZ-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000356990366 170008268 /nfs/dbraw/zinc/00/82/68/170008268.db2.gz MEBKSJMKTCOPSP-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)C[NH3+])C1 ZINC000044802678 170015162 /nfs/dbraw/zinc/01/51/62/170015162.db2.gz CGJLNBXIIXGZMU-VHSXEESVSA-N 2 0 213.325 0.039 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000356990379 170015674 /nfs/dbraw/zinc/01/56/74/170015674.db2.gz MEBKSJMKTCOPSP-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)COC)C1 ZINC000053195364 170016706 /nfs/dbraw/zinc/01/67/06/170016706.db2.gz UAJSUKJGWPIBRH-WDEREUQCSA-N 2 0 200.326 0.953 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCC[NH3+])[C@H](C)C1 ZINC000357073355 170018395 /nfs/dbraw/zinc/01/83/95/170018395.db2.gz LHANYNIRJFECJS-OLZOCXBDSA-N 3 0 243.395 0.624 20 0 BCADRP CC[N@@H+]1CC[C@H](NC[C@H](O)C[NH+](C)C)[C@@H](C)C1 ZINC000305130879 170020640 /nfs/dbraw/zinc/02/06/40/170020640.db2.gz MZNYLUSXAQBZNU-AVGNSLFASA-N 2 0 243.395 0.229 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C(F)F)[C@H](C)C1 ZINC000336778402 170020868 /nfs/dbraw/zinc/02/08/68/170020868.db2.gz LHIZJRSNACUMCZ-KXUCPTDWSA-N 2 0 236.306 0.932 20 0 BCADRP CCNC(=O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341183466 170050494 /nfs/dbraw/zinc/05/04/94/170050494.db2.gz KCKDIMDHRLDANU-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CCNC(=O)C[N@H+](CC)CC1CC[NH2+]CC1 ZINC000043497659 170056117 /nfs/dbraw/zinc/05/61/17/170056117.db2.gz DEGHXUVSQBGVDS-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000236947357 170114817 /nfs/dbraw/zinc/11/48/17/170114817.db2.gz AKVJOUCTDKWXGN-GFCCVEGCSA-N 2 0 235.331 0.455 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000366409839 170114859 /nfs/dbraw/zinc/11/48/59/170114859.db2.gz ZUBZWXURLXRQDO-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)CC1CC[NH2+]CC1 ZINC000366444040 170156943 /nfs/dbraw/zinc/15/69/43/170156943.db2.gz GTYXRDLYRRVYCA-SNVBAGLBSA-N 2 0 227.352 0.490 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@]1(CC)CC[NH2+]C1 ZINC000366445903 170157513 /nfs/dbraw/zinc/15/75/13/170157513.db2.gz IQPKAUUOZUEBHW-ZYHUDNBSSA-N 2 0 227.352 0.490 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[NH2+][C@H]1CC ZINC000353424848 170157993 /nfs/dbraw/zinc/15/79/93/170157993.db2.gz GIIJZDGLMDCEMW-MXWKQRLJSA-N 2 0 227.352 0.489 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000366454497 170158140 /nfs/dbraw/zinc/15/81/40/170158140.db2.gz SMXWOEDFDDGNIB-GHMZBOCLSA-N 2 0 227.352 0.633 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000358917509 170158148 /nfs/dbraw/zinc/15/81/48/170158148.db2.gz VDGQEIYXBQCRSB-IJLUTSLNSA-N 2 0 241.379 0.973 20 0 BCADRP CCOC(=O)CC[NH+]1CCC(C[NH3+])CC1 ZINC000117671643 170204781 /nfs/dbraw/zinc/20/47/81/170204781.db2.gz VXXGQDDMYSEXRG-UHFFFAOYSA-N 2 0 214.309 0.610 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCC[N@H+](C)C1CCCC1 ZINC000070946162 411562909 /nfs/dbraw/zinc/56/29/09/411562909.db2.gz XXQNMIJRLYJCMR-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CCOCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336680200 170374430 /nfs/dbraw/zinc/37/44/30/170374430.db2.gz IXHADOCFGBJOSQ-RYUDHWBXSA-N 2 0 212.337 0.954 20 0 BCADRP O[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000657809009 411601867 /nfs/dbraw/zinc/60/18/67/411601867.db2.gz RVMQPDCUVLLQQQ-DDHJBXDOSA-N 2 0 210.321 0.726 20 0 BCADRP CC[NH+](CC)CCC[NH2+][C@H](C)Cn1cncn1 ZINC000657816904 411606183 /nfs/dbraw/zinc/60/61/83/411606183.db2.gz PNTVSVQVFYJERM-GFCCVEGCSA-N 2 0 239.367 0.988 20 0 BCADRP C[C@@H](Cn1cncn1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000657836914 411609313 /nfs/dbraw/zinc/60/93/13/411609313.db2.gz XVHBZMZDPSBIGG-NWDGAFQWSA-N 2 0 249.362 0.741 20 0 BCADRP C[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000657836915 411609405 /nfs/dbraw/zinc/60/94/05/411609405.db2.gz XVHBZMZDPSBIGG-RYUDHWBXSA-N 2 0 249.362 0.741 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659374 411614344 /nfs/dbraw/zinc/61/43/44/411614344.db2.gz ORVPHAGNRNXCMI-OLZOCXBDSA-N 2 0 242.363 0.411 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)CCC[NH3+] ZINC000237044483 170477665 /nfs/dbraw/zinc/47/76/65/170477665.db2.gz VQQIKKJCMZTWJV-NSHDSACASA-N 2 0 245.367 0.198 20 0 BCADRP c1cn(CC[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cn1 ZINC000661145414 411718691 /nfs/dbraw/zinc/71/86/91/411718691.db2.gz LLZBEWFWTTWJHM-GFCCVEGCSA-N 2 0 246.318 0.497 20 0 BCADRP C[N@H+](CCOC(C)(C)C)CCN1CC[NH2+]CC1 ZINC000133348854 411716840 /nfs/dbraw/zinc/71/68/40/411716840.db2.gz DRVJGUQILQRUAZ-UHFFFAOYSA-N 2 0 243.395 0.639 20 0 BCADRP [NH3+]CC1CC[NH+](C[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC000663493433 411672411 /nfs/dbraw/zinc/67/24/11/411672411.db2.gz BPEFZMNQIIHSFC-NEPJUHHUSA-N 3 0 209.337 0.267 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000663494285 411672651 /nfs/dbraw/zinc/67/26/51/411672651.db2.gz NHQLUCASYGAOOO-XJFOESAGSA-N 3 0 237.391 0.916 20 0 BCADRP C[C@@H]1CCCN(C[C@@]23C[C@@H]2C[NH2+]C3)[C@@H]1C[NH3+] ZINC000663493996 411672875 /nfs/dbraw/zinc/67/28/75/411672875.db2.gz GKIYDZYLTBBLND-LPWJVIDDSA-N 2 0 223.364 0.655 20 0 BCADRP C[C@@H]1CN(C[C@@]23C[C@@H]2C[NH2+]C3)CC[C@H]1[NH3+] ZINC000663494376 411672973 /nfs/dbraw/zinc/67/29/73/411672973.db2.gz IPBJEFWMSWEKDO-KKOKHZNYSA-N 2 0 209.337 0.265 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494920 411674338 /nfs/dbraw/zinc/67/43/38/411674338.db2.gz LNRRRTIMMWKVKN-KKOKHZNYSA-N 2 0 209.337 0.265 20 0 BCADRP CCC([NH3+])(CC)CNC[C@]12C[C@H]1C[NH2+]C2 ZINC000663495595 411675153 /nfs/dbraw/zinc/67/51/53/411675153.db2.gz ZLSPIBIKPCWWMF-WDEREUQCSA-N 2 0 211.353 0.703 20 0 BCADRP CCCN(C[C@@]12C[C@@H]1C[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000663495209 411675329 /nfs/dbraw/zinc/67/53/29/411675329.db2.gz OZLIIMLZXNUCMP-AGIUHOORSA-N 2 0 223.364 0.670 20 0 BCADRP CN(CCC[NH3+])Cc1nc2c(s1)C[NH2+]CC2 ZINC000663496607 411676316 /nfs/dbraw/zinc/67/63/16/411676316.db2.gz XBUKLKXUVFYJTP-UHFFFAOYSA-N 2 0 240.376 0.569 20 0 BCADRP C(N(C1CC1)[C@H]1CC[NH2+]C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663495910 411677190 /nfs/dbraw/zinc/67/71/90/411677190.db2.gz QGZLOVZBQPHSLL-WXHSDQCUSA-N 2 0 221.348 0.422 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC[C@]12C[C@H]1C[NH2+]C2 ZINC000663496249 411677639 /nfs/dbraw/zinc/67/76/39/411677639.db2.gz FICXMEGDRABFGM-IRCOFANPSA-N 2 0 209.337 0.455 20 0 BCADRP C[C@H](C[NH3+])CNCc1nc2c(s1)C[NH2+]CC2 ZINC000663497381 411678502 /nfs/dbraw/zinc/67/85/02/411678502.db2.gz NFCQLRNOKZSDEK-MRVPVSSYSA-N 2 0 240.376 0.473 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000663500611 411683110 /nfs/dbraw/zinc/68/31/10/411683110.db2.gz LUJYGUAXQFXVIQ-LVFLEHKBSA-N 2 0 209.337 0.598 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000663500609 411683624 /nfs/dbraw/zinc/68/36/24/411683624.db2.gz LUJYGUAXQFXVIQ-BFUDSRACSA-N 2 0 209.337 0.598 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC000663500173 411683926 /nfs/dbraw/zinc/68/39/26/411683926.db2.gz YQSYBCQPTUYTMG-AAVRWANBSA-N 3 0 237.391 0.951 20 0 BCADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000663501472 411685956 /nfs/dbraw/zinc/68/59/56/411685956.db2.gz WBHMYYPYIOAYGA-XLICRZQSSA-N 3 0 235.375 0.716 20 0 BCADRP C(N[C@H]1CCC[NH2+]CC1)C12CC(C1)C[NH2+]2 ZINC000663501504 411686212 /nfs/dbraw/zinc/68/62/12/411686212.db2.gz WWBVUWRSYKGPCC-CXQJBGSLSA-N 2 0 209.337 0.470 20 0 BCADRP C[C@H]1C[C@@H](C[N@@H+]2CC[C@@H](F)[C@H](N)C2)CC[NH2+]1 ZINC000663506116 411687157 /nfs/dbraw/zinc/68/71/57/411687157.db2.gz QAQXCQQVGGFYBU-NNYUYHANSA-N 2 0 229.343 0.746 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](F)[C@H](N)C2)CC[NH2+]1 ZINC000663506117 411687273 /nfs/dbraw/zinc/68/72/73/411687273.db2.gz QAQXCQQVGGFYBU-WRWGMCAJSA-N 2 0 229.343 0.746 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000131937077 411692394 /nfs/dbraw/zinc/69/23/94/411692394.db2.gz SSBAJSNHJZHQGO-GFCCVEGCSA-N 2 0 235.331 0.364 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722980 411859264 /nfs/dbraw/zinc/85/92/64/411859264.db2.gz QDJGVKSPNTXBHR-RWMBFGLXSA-N 2 0 224.348 0.927 20 0 BCADRP CN1CCN(CC[C@H]2CCC[N@@H+]2C)CCC1=O ZINC000661807117 411887578 /nfs/dbraw/zinc/88/75/78/411887578.db2.gz MGBAQZMJAGCFGL-GFCCVEGCSA-N 2 0 239.363 0.635 20 0 BCADRP C[C@@H]1CC[N@H+](Cc2ccc(N)nc2)C[C@H]1C[NH3+] ZINC000647551711 411907317 /nfs/dbraw/zinc/90/73/17/411907317.db2.gz DYWWJDMDPPSSEX-ZYHUDNBSSA-N 2 0 234.347 1.081 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)C1CC[NH+](C)CC1 ZINC000040487100 170794351 /nfs/dbraw/zinc/79/43/51/170794351.db2.gz FYRFSERMHKRZGQ-PWSUYJOCSA-N 2 0 241.379 0.912 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(CO)(CO)C1 ZINC000661948256 411918733 /nfs/dbraw/zinc/91/87/33/411918733.db2.gz NPLPSDGYLOTXQW-GFCCVEGCSA-N 2 0 242.363 0.147 20 0 BCADRP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC000665669513 411987866 /nfs/dbraw/zinc/98/78/66/411987866.db2.gz NGTXLLBKZUMLQT-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000664718254 412012802 /nfs/dbraw/zinc/01/28/02/412012802.db2.gz BFNZOVLHLQHFKH-PHIMTYICSA-N 2 0 241.379 0.960 20 0 BCADRP COC[C@H](C[NH2+][C@](C)(C[NH3+])C(C)C)OC ZINC000662248687 412037286 /nfs/dbraw/zinc/03/72/86/412037286.db2.gz AQURPOPJJQQPPK-WDEREUQCSA-N 2 0 218.341 0.611 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC000662246409 412042728 /nfs/dbraw/zinc/04/27/28/412042728.db2.gz RTXGKQTZSMIMQP-QJPTWQEYSA-N 2 0 239.363 0.666 20 0 BCADRP CC[NH2+]CC1CC[NH+](C[C@@H](COC)OC)CC1 ZINC000662246416 412043201 /nfs/dbraw/zinc/04/32/01/412043201.db2.gz UFHBGLLZTLMKNS-ZDUSSCGKSA-N 2 0 244.379 0.969 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C[C@H](COC)OC ZINC000662247063 412044752 /nfs/dbraw/zinc/04/47/52/412044752.db2.gz XSPZWNJITUKYPM-WDEREUQCSA-N 2 0 216.325 0.332 20 0 BCADRP COC[C@@H](C[NH2+][C@@](C)(C[NH3+])C1CC1)OC ZINC000662248037 412046195 /nfs/dbraw/zinc/04/61/95/412046195.db2.gz RFNZNEPKZJLPBZ-MNOVXSKESA-N 2 0 216.325 0.365 20 0 BCADRP COC[C@H](C[NH2+][C@](C)(C[NH3+])C1CC1)OC ZINC000662248039 412047421 /nfs/dbraw/zinc/04/74/21/412047421.db2.gz RFNZNEPKZJLPBZ-WDEREUQCSA-N 2 0 216.325 0.365 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C[C@H]1C[NH2+]CCO1 ZINC000662267735 412060090 /nfs/dbraw/zinc/06/00/90/412060090.db2.gz YHYAOUOVOYOSEO-NWDGAFQWSA-N 2 0 227.352 0.049 20 0 BCADRP COCC[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248947 412047681 /nfs/dbraw/zinc/04/76/81/412047681.db2.gz MFXSHFPHKPVIFI-JTQLQIEISA-N 2 0 214.309 0.086 20 0 BCADRP CC[C@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662249706 412047843 /nfs/dbraw/zinc/04/78/43/412047843.db2.gz YHVVGQLVYFWPAE-NWDGAFQWSA-N 2 0 240.347 0.618 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H](C)CO1 ZINC000662252011 412050148 /nfs/dbraw/zinc/05/01/48/412050148.db2.gz LAVWOKHBCSFORW-TUAOUCFPSA-N 2 0 240.347 0.617 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCCO1 ZINC000662255252 412051501 /nfs/dbraw/zinc/05/15/01/412051501.db2.gz BOCLAASHNSJMQA-NEPJUHHUSA-N 2 0 240.347 0.618 20 0 BCADRP CC[NH+]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662257192 412051698 /nfs/dbraw/zinc/05/16/98/412051698.db2.gz BJLJJPFUIKFVSB-GFCCVEGCSA-N 2 0 239.363 0.145 20 0 BCADRP COC[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259002 412054170 /nfs/dbraw/zinc/05/41/70/412054170.db2.gz NYEPJBJXRJYCOA-NEPJUHHUSA-N 2 0 240.347 0.618 20 0 BCADRP C([C@H]1CCC2(C[NH2+]C2)O1)[NH+]1CCCCC1 ZINC000662259603 412054300 /nfs/dbraw/zinc/05/43/00/412054300.db2.gz ZLRBLSRKIFORBI-LLVKDONJSA-N 2 0 210.321 0.993 20 0 BCADRP CC1([NH3+])CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662270049 412060452 /nfs/dbraw/zinc/06/04/52/412060452.db2.gz HKUBPTZHJZXVNF-NSHDSACASA-N 3 0 239.363 0.321 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]CCO1 ZINC000662267734 412060632 /nfs/dbraw/zinc/06/06/32/412060632.db2.gz YHYAOUOVOYOSEO-NEPJUHHUSA-N 2 0 227.352 0.049 20 0 BCADRP CC1([NH3+])CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662270048 412061331 /nfs/dbraw/zinc/06/13/31/412061331.db2.gz HKUBPTZHJZXVNF-LLVKDONJSA-N 3 0 239.363 0.321 20 0 BCADRP CC[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)CC[C@H]1[NH3+] ZINC000662270115 412061407 /nfs/dbraw/zinc/06/14/07/412061407.db2.gz IJOGDHAFHOSHRO-UTUOFQBUSA-N 2 0 239.363 0.666 20 0 BCADRP CN(C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](C[NH3+])C1CC1 ZINC000662272651 412062139 /nfs/dbraw/zinc/06/21/39/412062139.db2.gz HKNOYPGYDJQYOJ-NWDGAFQWSA-N 2 0 239.363 0.177 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[NH2+]C ZINC000370768135 171099068 /nfs/dbraw/zinc/09/90/68/171099068.db2.gz YMPWUUVPALFSLM-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)[NH3+] ZINC000245918395 171099523 /nfs/dbraw/zinc/09/95/23/171099523.db2.gz GSPXXSMGUOXOFC-MXWKQRLJSA-N 2 0 225.336 0.419 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)[NH3+] ZINC000245918389 171100128 /nfs/dbraw/zinc/10/01/28/171100128.db2.gz GSPXXSMGUOXOFC-AXFHLTTASA-N 2 0 225.336 0.419 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2CNCCO2)C1 ZINC000662273756 412064497 /nfs/dbraw/zinc/06/44/97/412064497.db2.gz ZWGJNEINKKNYRM-NWDGAFQWSA-N 2 0 227.352 0.036 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C[C@@H]1C[NH2+]CCO1 ZINC000662273199 412064963 /nfs/dbraw/zinc/06/49/63/412064963.db2.gz MVYSXCMIHGZKLS-NEPJUHHUSA-N 2 0 227.352 0.178 20 0 BCADRP COC[C@@H](C[N@@H+]1CCC[C@@H](CC[NH3+])C1)OC ZINC000662273734 412065624 /nfs/dbraw/zinc/06/56/24/412065624.db2.gz ZIFGJYIDTBNCDU-NWDGAFQWSA-N 2 0 230.352 0.709 20 0 BCADRP CO[C@H](C[N@H+](C)C[C@H](O)C[NH3+])C1CCC1 ZINC000662275607 412067086 /nfs/dbraw/zinc/06/70/86/412067086.db2.gz CYQFNCOPTXQCOZ-GHMZBOCLSA-N 2 0 216.325 0.053 20 0 BCADRP C[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)[C@H](C)C[NH2+]1 ZINC000662274845 412067355 /nfs/dbraw/zinc/06/73/55/412067355.db2.gz NBMJHAPHQBYAFG-IJLUTSLNSA-N 2 0 239.363 0.190 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000353540103 171145912 /nfs/dbraw/zinc/14/59/12/171145912.db2.gz YLZZTKZZAAUJDO-MMWGEVLESA-N 2 0 225.336 0.323 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000353458267 171146102 /nfs/dbraw/zinc/14/61/02/171146102.db2.gz IYRVKLMOWNDZBU-BJDJZHNGSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000353154329 171147887 /nfs/dbraw/zinc/14/78/87/171147887.db2.gz RQBYUOSWINTZCG-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000353465764 171148466 /nfs/dbraw/zinc/14/84/66/171148466.db2.gz FUJABFKWDAFSEY-RHYQMDGZSA-N 2 0 239.363 0.631 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000353474227 171148483 /nfs/dbraw/zinc/14/84/83/171148483.db2.gz VOXBXTADWROICB-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP CO[C@@H](C[N@H+](C)C[C@H](O)C[NH3+])C1CCCCC1 ZINC000662276903 412068892 /nfs/dbraw/zinc/06/88/92/412068892.db2.gz NDEVHCMDURRTPB-OLZOCXBDSA-N 2 0 244.379 0.833 20 0 BCADRP CC[C@@]1(C(=O)N(C)[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000378226511 171194709 /nfs/dbraw/zinc/19/47/09/171194709.db2.gz VHPKKALNNADZKS-ZYHUDNBSSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@@]1(C(=O)NC[C@@H](C)[NH2+]C)CC[NH2+]C1 ZINC000309534239 171195829 /nfs/dbraw/zinc/19/58/29/171195829.db2.gz WQBGGTMPDRCDRV-MWLCHTKSSA-N 2 0 213.325 0.100 20 0 BCADRP CC[C@@]1(C(=O)NC[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000134366625 171195956 /nfs/dbraw/zinc/19/59/56/171195956.db2.gz GEPXAPPCMZSQHW-AAEUAGOBSA-N 2 0 239.363 0.634 20 0 BCADRP CC[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000360466399 171195966 /nfs/dbraw/zinc/19/59/66/171195966.db2.gz LQAYZTQEIROCSM-CMPLNLGQSA-N 2 0 225.336 0.244 20 0 BCADRP CC[C@@]1(C(=O)NCCC[NH2+]C)CCC[NH2+]1 ZINC000134366111 171196058 /nfs/dbraw/zinc/19/60/58/171196058.db2.gz RTPIVGSBLHKHBF-NSHDSACASA-N 2 0 213.325 0.244 20 0 BCADRP CC[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000184074477 171196082 /nfs/dbraw/zinc/19/60/82/171196082.db2.gz LYEMGZHJOISDSJ-JQWIXIFHSA-N 2 0 225.336 0.387 20 0 BCADRP CC[C@@]1(C(=O)N2CC[C@H]([NH2+]C)C2)CC[NH2+]C1 ZINC000370848011 171196219 /nfs/dbraw/zinc/19/62/19/171196219.db2.gz WJZXYXKNWNNJJX-CMPLNLGQSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@@]1(C(=O)N[C@@H](C[NH3+])C2CC2)CCC[NH2+]1 ZINC000134369052 171196255 /nfs/dbraw/zinc/19/62/55/171196255.db2.gz IPBPMEWIUUEMQW-JQWIXIFHSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@@]1(C(=O)NC[C@H](C)C[NH3+])CCC[NH2+]1 ZINC000336740561 171196392 /nfs/dbraw/zinc/19/63/92/171196392.db2.gz MKULPCRFDIIUBH-KOLCDFICSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@H](C(=O)NCCCC[NH+](C)C)[NH+](C)C ZINC000360955863 171228901 /nfs/dbraw/zinc/22/89/01/171228901.db2.gz DWOBTIXUVOEPJI-LLVKDONJSA-N 2 0 229.368 0.785 20 0 BCADRP CC[C@H](C(=O)NC[C@@H](C)[NH2+]C)[NH+](CC)CC ZINC000339136284 171229342 /nfs/dbraw/zinc/22/93/42/171229342.db2.gz JTPRRWIBDOQTTK-GHMZBOCLSA-N 2 0 229.368 0.831 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1)OC ZINC000662282619 412073264 /nfs/dbraw/zinc/07/32/64/412073264.db2.gz PDQFWEYNNFHKQX-TUAOUCFPSA-N 2 0 230.352 0.565 20 0 BCADRP CC[C@H](C(N)=O)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374207743 171242377 /nfs/dbraw/zinc/24/23/77/171242377.db2.gz KFYIINAVCVTDHM-LLVKDONJSA-N 2 0 236.319 0.853 20 0 BCADRP CC[C@H](C(N)=O)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000355754379 171243815 /nfs/dbraw/zinc/24/38/15/171243815.db2.gz SUWSDMULFBOKJH-GFCCVEGCSA-N 2 0 241.379 0.914 20 0 BCADRP COC[C@@H](C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)OC ZINC000662284204 412075010 /nfs/dbraw/zinc/07/50/10/412075010.db2.gz GATFSVOTRIGTND-XQQFMLRXSA-N 2 0 242.363 0.709 20 0 BCADRP C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000662300786 412085775 /nfs/dbraw/zinc/08/57/75/412085775.db2.gz JOGMMXWECHYYKH-RYUDHWBXSA-N 2 0 230.352 0.445 20 0 BCADRP C[NH2+]CCC[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000662294917 412083984 /nfs/dbraw/zinc/08/39/84/412083984.db2.gz GYPRGSUOQAPVIN-NSHDSACASA-N 2 0 223.324 0.210 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)CC[C@H](C)[NH3+] ZINC000248875144 171306952 /nfs/dbraw/zinc/30/69/52/171306952.db2.gz QKINOFYTZWYNRU-QWRGUYRKSA-N 2 0 229.368 0.960 20 0 BCADRP CC[C@H](C)NC(=O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166121 171324789 /nfs/dbraw/zinc/32/47/89/171324789.db2.gz CGAJVFAMXNJOSA-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H](C)NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000111612022 171325589 /nfs/dbraw/zinc/32/55/89/171325589.db2.gz QMHJKGCSIZFWLQ-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074210 171325808 /nfs/dbraw/zinc/32/58/08/171325808.db2.gz HQVBZERFBOSMGL-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP CN(C[C@@H]1CCC2(C[NH2+]C2)O1)CC(C)(C)[NH3+] ZINC000662293282 412080933 /nfs/dbraw/zinc/08/09/33/412080933.db2.gz FTTHNEGNSNKIJI-JTQLQIEISA-N 2 0 227.352 0.177 20 0 BCADRP [NH3+]CCN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291944 412081477 /nfs/dbraw/zinc/08/14/77/412081477.db2.gz AUUTVTWYXJKPGA-GFCCVEGCSA-N 2 0 211.353 0.657 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C)C[C@H]1C ZINC000300354458 171369838 /nfs/dbraw/zinc/36/98/38/171369838.db2.gz AGVOFGJOZDXFDY-HBNTYKKESA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CC[NH+](CC)CC1 ZINC000038098270 171370226 /nfs/dbraw/zinc/37/02/26/171370226.db2.gz PSVQBWZUMVWJLV-CMPLNLGQSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249377579 171370272 /nfs/dbraw/zinc/37/02/72/171370272.db2.gz MIRHUBURNMQKPO-SDDRHHMPSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000224046669 171370690 /nfs/dbraw/zinc/37/06/90/171370690.db2.gz OQQQKSNVYKXHSN-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@H+](C)CC ZINC000054133201 171371239 /nfs/dbraw/zinc/37/12/39/171371239.db2.gz SOSFHJFTKIUKQD-VHSXEESVSA-N 2 0 215.341 0.428 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062971998 171393783 /nfs/dbraw/zinc/39/37/83/171393783.db2.gz AYRFDIJGXXTTEH-DCAQKATOSA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000309404703 171394370 /nfs/dbraw/zinc/39/43/70/171394370.db2.gz HWKRLHGCGVHGSA-QEYWKRMJSA-N 2 0 213.325 0.308 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+](C)CCOC ZINC000061380461 171395028 /nfs/dbraw/zinc/39/50/28/171395028.db2.gz ARFQBLDTNXMOJA-QWRGUYRKSA-N 2 0 245.367 0.054 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000035663363 171395274 /nfs/dbraw/zinc/39/52/74/171395274.db2.gz LUAWBCJOSIIFID-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000248865241 171395676 /nfs/dbraw/zinc/39/56/76/171395676.db2.gz NACZGKGFOFYYJN-MMWGEVLESA-N 2 0 227.352 0.617 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000248865245 171397070 /nfs/dbraw/zinc/39/70/70/171397070.db2.gz NACZGKGFOFYYJN-VLEAKVRGSA-N 2 0 227.352 0.617 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[NH+]1CCCCC1 ZINC000662388147 412139974 /nfs/dbraw/zinc/13/99/74/412139974.db2.gz NXYWJFSCOKGIPA-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP [NH3+]CC12CC(C1)C[N@@H+]2CC[C@H]1CCC[NH2+]C1 ZINC000662303391 412088182 /nfs/dbraw/zinc/08/81/82/412088182.db2.gz BULJLAFFYQEOGG-PNESKVBLSA-N 3 0 223.364 0.799 20 0 BCADRP [NH3+]CC12CC(C1)C[N@@H+]2CC1CCOCC1 ZINC000662304201 412088379 /nfs/dbraw/zinc/08/83/79/412088379.db2.gz MPZVJCUPWHUHNF-UHFFFAOYSA-N 2 0 210.321 0.836 20 0 BCADRP C[C@@]12COC[C@]1(C)C[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000662302589 412088394 /nfs/dbraw/zinc/08/83/94/412088394.db2.gz NBKMHGSKTINPLF-RWMBFGLXSA-N 2 0 224.348 0.954 20 0 BCADRP [NH3+]CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662390906 412141464 /nfs/dbraw/zinc/14/14/64/412141464.db2.gz SPOUOPOXSWESQC-GFCCVEGCSA-N 2 0 247.342 0.754 20 0 BCADRP [NH3+]CC12CC(C1)C[N@@H+]2CC[C@@H]1CCC[NH2+]C1 ZINC000662303390 412089890 /nfs/dbraw/zinc/08/98/90/412089890.db2.gz BULJLAFFYQEOGG-HIFPTAJRSA-N 3 0 223.364 0.799 20 0 BCADRP C[C@]12COC[C@@H]1C[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000662312204 412093786 /nfs/dbraw/zinc/09/37/86/412093786.db2.gz XMPJXTAEXQJKFU-AVGNSLFASA-N 2 0 224.348 0.954 20 0 BCADRP CNC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313968 412096362 /nfs/dbraw/zinc/09/63/62/412096362.db2.gz AMTZSMBIGBAUJB-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000662389850 412141772 /nfs/dbraw/zinc/14/17/72/412141772.db2.gz FLXRWHQNNZPXSE-SNVBAGLBSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+]CCC[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662318015 412097973 /nfs/dbraw/zinc/09/79/73/412097973.db2.gz VYJHELDVIASTGM-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP c1cnc2c(n1)CC[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000662318366 412099299 /nfs/dbraw/zinc/09/92/99/412099299.db2.gz ZGEOUZXCSRNNNE-LLVKDONJSA-N 2 0 232.331 0.834 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000662389434 412141896 /nfs/dbraw/zinc/14/18/96/412141896.db2.gz XIZNJNVNQZFTEJ-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP CC12CC(C1)C[N@@H+]2C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662338254 412108519 /nfs/dbraw/zinc/10/85/19/412108519.db2.gz PLONFXWDQQVCCJ-MOENNCHZSA-N 2 0 222.332 0.992 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC[NH+](CC)CC ZINC000662367801 412125468 /nfs/dbraw/zinc/12/54/68/412125468.db2.gz PJYMLQQJCYQKIT-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000662555196 412215902 /nfs/dbraw/zinc/21/59/02/412215902.db2.gz ZMDAXVOOENLBRN-ZDUSSCGKSA-N 2 0 249.358 0.972 20 0 BCADRP C[C@H]1C[C@@H](N[C@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000665243354 412186975 /nfs/dbraw/zinc/18/69/75/412186975.db2.gz AXYINMFMNVBZLU-GARJFASQSA-N 2 0 209.337 0.563 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000662474289 412188552 /nfs/dbraw/zinc/18/85/52/412188552.db2.gz XEBQWHWMWVYXOU-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP CO[C@@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000665244758 412189487 /nfs/dbraw/zinc/18/94/87/412189487.db2.gz VRHPJVWSOSQCPG-IRCOFANPSA-N 2 0 212.337 0.999 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](CC)[NH2+]C ZINC000662555039 412215098 /nfs/dbraw/zinc/21/50/98/412215098.db2.gz YNSOJBBPNLSUKL-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662515432 412201237 /nfs/dbraw/zinc/20/12/37/412201237.db2.gz RLLPILMLDHRIRS-GFCCVEGCSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000662515971 412201749 /nfs/dbraw/zinc/20/17/49/412201749.db2.gz WXEBMMDDNHNQNH-LLVKDONJSA-N 2 0 227.352 0.441 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662519534 412203137 /nfs/dbraw/zinc/20/31/37/412203137.db2.gz VREHNGHEUSAZGG-CYBMUJFWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662557522 412215948 /nfs/dbraw/zinc/21/59/48/412215948.db2.gz IOUCLHKNHGQKRB-ZRUFSTJUSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662551137 412208076 /nfs/dbraw/zinc/20/80/76/412208076.db2.gz JQZNMEUMAPWEKL-MMWGEVLESA-N 2 0 225.336 0.310 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000662539918 412208142 /nfs/dbraw/zinc/20/81/42/412208142.db2.gz OAMDPZQLNAEEHS-NHCYSSNCSA-N 2 0 239.363 0.726 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000662539920 412208282 /nfs/dbraw/zinc/20/82/82/412208282.db2.gz OAMDPZQLNAEEHS-UMNHJUIQSA-N 2 0 239.363 0.726 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662551140 412208729 /nfs/dbraw/zinc/20/87/29/412208729.db2.gz JQZNMEUMAPWEKL-ZDCRXTMVSA-N 2 0 225.336 0.310 20 0 BCADRP CCCN(C(=O)[C@H](CC)[NH2+]C)C1CC[NH2+]CC1 ZINC000662547612 412211239 /nfs/dbraw/zinc/21/12/39/412211239.db2.gz BIIGWYBQCXITTP-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000662550237 412212432 /nfs/dbraw/zinc/21/24/32/412212432.db2.gz FIZBZQQZAWSTAJ-JQWIXIFHSA-N 2 0 241.379 0.851 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)NCC1C[NH2+]C1 ZINC000662551985 412213240 /nfs/dbraw/zinc/21/32/40/412213240.db2.gz WDWOMDHKBMMKIJ-JTQLQIEISA-N 2 0 227.352 0.333 20 0 BCADRP O=C(N1CCC[NH2+]CC1)C1([NH2+]C2CC2)CCC1 ZINC000662395047 412144930 /nfs/dbraw/zinc/14/49/30/412144930.db2.gz BCBLQGFDHXIKLI-UHFFFAOYSA-N 2 0 237.347 0.483 20 0 BCADRP [NH3+]CCCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662393956 412145122 /nfs/dbraw/zinc/14/51/22/412145122.db2.gz MFMVEVITFRXVOX-GFCCVEGCSA-N 2 0 233.315 0.686 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000662394880 412145143 /nfs/dbraw/zinc/14/51/43/412145143.db2.gz DTUYIWIJZISSIN-MNOVXSKESA-N 2 0 225.336 0.311 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC1CC[NH2+]CC1 ZINC000662395873 412146369 /nfs/dbraw/zinc/14/63/69/412146369.db2.gz QVHZKLMSHSJGIY-JTQLQIEISA-N 2 0 213.325 0.100 20 0 BCADRP C[NH2+]CCCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662398597 412147270 /nfs/dbraw/zinc/14/72/70/412147270.db2.gz XSTBOTBDAVOISG-UHFFFAOYSA-N 2 0 225.336 0.387 20 0 BCADRP CN(C(=O)CC1([NH3+])CC1)C1CC[NH2+]CC1 ZINC000662400301 412148989 /nfs/dbraw/zinc/14/89/89/412148989.db2.gz QUKHUELZHNEGNL-UHFFFAOYSA-N 2 0 211.309 0.078 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000662402677 412150557 /nfs/dbraw/zinc/15/05/57/412150557.db2.gz NHEBGOOQISNUPX-GHMZBOCLSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000662406400 412152313 /nfs/dbraw/zinc/15/23/13/412152313.db2.gz YHFOQVFSIVUMSC-VHSXEESVSA-N 2 0 213.325 0.100 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000662410561 412154550 /nfs/dbraw/zinc/15/45/50/412154550.db2.gz SHVIIBQBQLUXIX-ONGXEEELSA-N 2 0 225.336 0.337 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]([NH3+])COC(C)C ZINC000662411729 412155506 /nfs/dbraw/zinc/15/55/06/412155506.db2.gz XHRQUKHHXHOCKR-NSHDSACASA-N 2 0 245.367 0.243 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000662411779 412155520 /nfs/dbraw/zinc/15/55/20/412155520.db2.gz LNBGNHLPTMWRMP-NWDGAFQWSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662410693 412155653 /nfs/dbraw/zinc/15/56/53/412155653.db2.gz VCFDIIOZDHOPQH-LLVKDONJSA-N 2 0 241.379 0.879 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)C1([NH2+]C2CC2)CCC1 ZINC000662410665 412155910 /nfs/dbraw/zinc/15/59/10/412155910.db2.gz CCZGFOYXXJGRCG-NSHDSACASA-N 2 0 237.347 0.529 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000662412662 412155964 /nfs/dbraw/zinc/15/59/64/412155964.db2.gz RTVZRQLZKIPRQI-JTQLQIEISA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662411178 412156001 /nfs/dbraw/zinc/15/60/01/412156001.db2.gz ZPZHLOXIFXDALT-LSJOCFKGSA-N 2 0 225.336 0.310 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)NCC[NH2+]C1CC1 ZINC000662411819 412156029 /nfs/dbraw/zinc/15/60/29/412156029.db2.gz LUZXQGXKNSTZNZ-NSHDSACASA-N 2 0 241.379 0.866 20 0 BCADRP O=C(NCC[NH2+]C1CC1)C1([NH2+]C2CC2)CCC1 ZINC000662411009 412156051 /nfs/dbraw/zinc/15/60/51/412156051.db2.gz GMSBTORORYSUME-UHFFFAOYSA-N 2 0 237.347 0.529 20 0 BCADRP CN(C(=O)c1cccc2c1C[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000662415672 412156579 /nfs/dbraw/zinc/15/65/79/412156579.db2.gz VGFKUNWVMILHLU-NSHDSACASA-N 2 0 245.326 0.724 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)CC1([NH3+])CC1 ZINC000662417283 412157873 /nfs/dbraw/zinc/15/78/73/412157873.db2.gz OVUVDYCGFMNYTF-UHFFFAOYSA-N 2 0 213.325 0.502 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000662417140 412158120 /nfs/dbraw/zinc/15/81/20/412158120.db2.gz NCSBPQSNPNTXLG-MWLCHTKSSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000662419158 412160194 /nfs/dbraw/zinc/16/01/94/412160194.db2.gz DYVZKBCWSXQTNZ-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662420549 412161550 /nfs/dbraw/zinc/16/15/50/412161550.db2.gz ATVKWDJFUSTTTO-UWVGGRQHSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@H]1C[NH3+] ZINC000662422354 412162425 /nfs/dbraw/zinc/16/24/25/412162425.db2.gz ICYDJIOGGXLLGD-DBIOUOCHSA-N 2 0 225.336 0.310 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000662422111 412162593 /nfs/dbraw/zinc/16/25/93/412162593.db2.gz ZIBAPCUMTNFRHA-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000662423997 412163720 /nfs/dbraw/zinc/16/37/20/412163720.db2.gz SBYTUKXWRCNALV-GARJFASQSA-N 2 0 227.352 0.618 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]([NH3+])COC(C)C ZINC000662426532 412165361 /nfs/dbraw/zinc/16/53/61/412165361.db2.gz TXKWAWWIKWUDEW-JTQLQIEISA-N 2 0 245.367 0.372 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000662429200 412166740 /nfs/dbraw/zinc/16/67/40/412166740.db2.gz UCNWJSDXYXXLEM-GHMZBOCLSA-N 2 0 229.368 0.816 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000662429205 412167076 /nfs/dbraw/zinc/16/70/76/412167076.db2.gz UCNWJSDXYXXLEM-WDEREUQCSA-N 2 0 229.368 0.816 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H](CC)[NH2+]C ZINC000662430385 412168486 /nfs/dbraw/zinc/16/84/86/412168486.db2.gz VVUHLPXEMMDDLO-UWVGGRQHSA-N 2 0 215.341 0.618 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC1CC[NH+](C)CC1 ZINC000662434800 412172024 /nfs/dbraw/zinc/17/20/24/412172024.db2.gz HYFDXRDEHSILGR-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000662439524 412174298 /nfs/dbraw/zinc/17/42/98/412174298.db2.gz NCKWQTFRGBUTBP-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP COC[C@H](CC[NH2+][C@H](C)C[C@@H](C)[NH3+])OC ZINC000665234395 412174504 /nfs/dbraw/zinc/17/45/04/412174504.db2.gz CFIHLMYZFXGKBQ-MXWKQRLJSA-N 2 0 218.341 0.753 20 0 BCADRP CC(C)[C@@H](C(=O)NCC1([NH3+])CCCC1)[C@H](C)[NH3+] ZINC000662649831 412256386 /nfs/dbraw/zinc/25/63/86/412256386.db2.gz SLVZNIBUBNYWRR-WDEREUQCSA-N 2 0 241.379 0.994 20 0 BCADRP C[NH+](C)CCCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662660044 412261254 /nfs/dbraw/zinc/26/12/54/412261254.db2.gz SFWLEQGVKSQLMQ-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC000662671129 412266056 /nfs/dbraw/zinc/26/60/56/412266056.db2.gz LQRAYSXHOKRCLW-XYPYZODXSA-N 2 0 225.336 0.326 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000662673575 412267446 /nfs/dbraw/zinc/26/74/46/412267446.db2.gz OAXFFAHTGSEJMC-GFCCVEGCSA-N 2 0 241.379 0.927 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)C[C@@H]1CCC[NH2+]1 ZINC000662681027 412268477 /nfs/dbraw/zinc/26/84/77/412268477.db2.gz RYBVYDBQJDLIBD-YZRBJQDESA-N 2 0 223.320 0.078 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662681457 412269233 /nfs/dbraw/zinc/26/92/33/412269233.db2.gz FHGMUFSUHNAKMC-URAGZPLESA-N 2 0 237.347 0.324 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662683489 412269252 /nfs/dbraw/zinc/26/92/52/412269252.db2.gz OOBFACXYWSZYBL-HAQNSBGRSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662681163 412269510 /nfs/dbraw/zinc/26/95/10/412269510.db2.gz VPCYDFLXVVGOSJ-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662683851 412269974 /nfs/dbraw/zinc/26/99/74/412269974.db2.gz VVMONQGGJBHRGH-SILCLGDVSA-N 2 0 211.309 0.064 20 0 BCADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662684701 412270527 /nfs/dbraw/zinc/27/05/27/412270527.db2.gz HCAFVGYRTZNIIU-SRVKXCTJSA-N 2 0 241.379 0.816 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662684646 412270597 /nfs/dbraw/zinc/27/05/97/412270597.db2.gz YMMWNXOLUVTFNH-PUHCBVPISA-N 2 0 249.358 0.467 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000662695403 412274048 /nfs/dbraw/zinc/27/40/48/412274048.db2.gz ZPHGQGCNSABMHK-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000662695299 412274671 /nfs/dbraw/zinc/27/46/71/412274671.db2.gz YZNDQGXUOKBFGY-NEPJUHHUSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662702739 412275109 /nfs/dbraw/zinc/27/51/09/412275109.db2.gz MEWYTAPZEMUHAK-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH2+]C)C1 ZINC000662704213 412276342 /nfs/dbraw/zinc/27/63/42/412276342.db2.gz WRMDXHLUVHFRIH-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)NCC12CC(C1)C[NH2+]2 ZINC000662719056 412282461 /nfs/dbraw/zinc/28/24/61/412282461.db2.gz WERLGNNNEPVGSY-ZBOXLXRLSA-N 2 0 237.347 0.244 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000662718861 412282625 /nfs/dbraw/zinc/28/26/25/412282625.db2.gz RMRKHUSVNWSVAY-QRVCZOOMSA-N 2 0 237.347 0.372 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C[NH2+]C1CC1 ZINC000662724066 412284523 /nfs/dbraw/zinc/28/45/23/412284523.db2.gz LFTOGAFOCCWDNV-SNVBAGLBSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662723732 412284810 /nfs/dbraw/zinc/28/48/10/412284810.db2.gz IWSXZZYGZSTWTH-ZSWLNHAKSA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000662731116 412286398 /nfs/dbraw/zinc/28/63/98/412286398.db2.gz YRHXHSLNBVPDEB-OUAUKWLOSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000662730491 412286623 /nfs/dbraw/zinc/28/66/23/412286623.db2.gz GXKSFJNQRVLKKE-LPEHRKFASA-N 2 0 215.341 0.459 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000662730782 412286836 /nfs/dbraw/zinc/28/68/36/412286836.db2.gz PJGLTLGTHDSMJH-VXGBXAGGSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)CC[C@H](C)[NH3+] ZINC000662731066 412286951 /nfs/dbraw/zinc/28/69/51/412286951.db2.gz XJBTYMCCQSYGCS-VHSXEESVSA-N 2 0 215.341 0.603 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000662557888 412216045 /nfs/dbraw/zinc/21/60/45/412216045.db2.gz PHBGWOBKLALAOM-UWVGGRQHSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662557520 412216248 /nfs/dbraw/zinc/21/62/48/412216248.db2.gz IOUCLHKNHGQKRB-VLEAKVRGSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000662556403 412216267 /nfs/dbraw/zinc/21/62/67/412216267.db2.gz QOTLZGAIPUXIQQ-XWLWVQCSSA-N 2 0 225.336 0.500 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000662569074 412223582 /nfs/dbraw/zinc/22/35/82/412223582.db2.gz WLZNJUFVODUKLF-IUCAKERBSA-N 2 0 201.314 0.228 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000662571460 412223870 /nfs/dbraw/zinc/22/38/70/412223870.db2.gz PBMUJTAKEDQISK-ZJUUUORDSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000662571591 412224919 /nfs/dbraw/zinc/22/49/19/412224919.db2.gz UBWQBILCAKOQSG-BBBLOLIVSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000662571590 412225248 /nfs/dbraw/zinc/22/52/48/412225248.db2.gz UBWQBILCAKOQSG-AEJSXWLSSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665280145 412225329 /nfs/dbraw/zinc/22/53/29/412225329.db2.gz UNEHURXIOFSFFA-YECOWLKZSA-N 2 0 209.337 0.455 20 0 BCADRP CN(CC[NH3+])C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662574614 412225961 /nfs/dbraw/zinc/22/59/61/412225961.db2.gz LHHBLFRVBGCVBE-LBPRGKRZSA-N 2 0 233.315 0.638 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000662574784 412226078 /nfs/dbraw/zinc/22/60/78/412226078.db2.gz PPEUGASKOQGVTH-DCAQKATOSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000662575963 412226387 /nfs/dbraw/zinc/22/63/87/412226387.db2.gz XMFXIBIIQSVHQU-LPEHRKFASA-N 2 0 213.325 0.038 20 0 BCADRP CC(C)[NH2+]CC(=O)NCCC1(C[NH3+])CC1 ZINC000662582084 412228457 /nfs/dbraw/zinc/22/84/57/412228457.db2.gz LKXSXGQETIGHED-UHFFFAOYSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662584253 412228518 /nfs/dbraw/zinc/22/85/18/412228518.db2.gz MCQNIFOKHVEJNZ-KXNHARMFSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662593561 412233289 /nfs/dbraw/zinc/23/32/89/412233289.db2.gz PHUOUVXHQFNHRB-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000662592713 412233440 /nfs/dbraw/zinc/23/34/40/412233440.db2.gz JQKZWFAJLQUVSV-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662593620 412233726 /nfs/dbraw/zinc/23/37/26/412233726.db2.gz PQACUYZOGJMESC-QWRGUYRKSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CC[NH3+])C1 ZINC000662593564 412233989 /nfs/dbraw/zinc/23/39/89/412233989.db2.gz PIEYUOXZLPIFTH-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N(C)CC(C)(C)[NH3+])CC[NH2+]1 ZINC000662605312 412237218 /nfs/dbraw/zinc/23/72/18/412237218.db2.gz MUZUXLUBYGCYBT-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662606097 412237273 /nfs/dbraw/zinc/23/72/73/412237273.db2.gz YNPKOFZDAJGENO-QMMMGPOBSA-N 2 0 201.314 0.038 20 0 BCADRP CC(C)[C@H](C(=O)N(C)CC(C)(C)[NH3+])[C@H](C)[NH3+] ZINC000662605881 412237437 /nfs/dbraw/zinc/23/74/37/412237437.db2.gz SYNQHRVRMHIIBF-UWVGGRQHSA-N 2 0 229.368 0.802 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]([NH3+])CC(F)F ZINC000662605986 412237820 /nfs/dbraw/zinc/23/78/20/412237820.db2.gz WHPNKQRCDZWTNO-LURJTMIESA-N 2 0 223.267 0.165 20 0 BCADRP CC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)C1CC1 ZINC000665292192 412238122 /nfs/dbraw/zinc/23/81/22/412238122.db2.gz VLPNJKUALJTUPW-SNVBAGLBSA-N 2 0 236.319 0.919 20 0 BCADRP CC[C@@H]1CC[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665293289 412239161 /nfs/dbraw/zinc/23/91/61/412239161.db2.gz XIMBUDJUVZYBPU-PSASIEDQSA-N 2 0 236.319 0.919 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662619955 412244290 /nfs/dbraw/zinc/24/42/90/412244290.db2.gz RLOGMNPQFWMKTO-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621846 412244367 /nfs/dbraw/zinc/24/43/67/412244367.db2.gz XMIUPZRYNLVASF-GHMZBOCLSA-N 2 0 241.379 0.973 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](C)S(C)(=O)=O ZINC000665299294 412247789 /nfs/dbraw/zinc/24/77/89/412247789.db2.gz JYEGELURPUBUJA-YIZRAAEISA-N 2 0 222.354 0.135 20 0 BCADRP C[NH2+]C[C@@H](C)N[C@@H](C)c1c[nH+]ccc1N ZINC000665299902 412248290 /nfs/dbraw/zinc/24/82/90/412248290.db2.gz VFSVPVFQJRBQQA-BDAKNGLRSA-N 2 0 208.309 0.753 20 0 BCADRP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])S(C)(=O)=O ZINC000665299293 412248436 /nfs/dbraw/zinc/24/84/36/412248436.db2.gz JYEGELURPUBUJA-XHNCKOQMSA-N 2 0 222.354 0.135 20 0 BCADRP C[C@H](CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2)[NH+](C)C ZINC000662629735 412248480 /nfs/dbraw/zinc/24/84/80/412248480.db2.gz BFPATDDEBQMBDP-WZRBSPASSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H](CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)[NH+](C)C ZINC000662629731 412249004 /nfs/dbraw/zinc/24/90/04/412249004.db2.gz BFPATDDEBQMBDP-NQBHXWOUSA-N 2 0 239.363 0.442 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662632568 412249858 /nfs/dbraw/zinc/24/98/58/412249858.db2.gz FADSTRDUWLUKSB-GHMZBOCLSA-N 2 0 229.368 0.831 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000662632570 412250138 /nfs/dbraw/zinc/25/01/38/412250138.db2.gz FADSTRDUWLUKSB-QWRGUYRKSA-N 2 0 229.368 0.831 20 0 BCADRP C[NH2+]CCCC(=O)NCC[C@@H](C)[NH+](C)C ZINC000662633032 412251645 /nfs/dbraw/zinc/25/16/45/412251645.db2.gz IVFBMJULDMOCQP-SNVBAGLBSA-N 2 0 215.341 0.442 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC000662636007 412252414 /nfs/dbraw/zinc/25/24/14/412252414.db2.gz XHGCQDMDMPJKRV-IUCAKERBSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000662815399 412308432 /nfs/dbraw/zinc/30/84/32/412308432.db2.gz TWBZZOFSQOAACT-NAKRPEOUSA-N 2 0 225.336 0.167 20 0 BCADRP C[C@H]1CCN(C(=O)CC2([NH3+])CC2)C[C@H]1C[NH3+] ZINC000662814926 412308572 /nfs/dbraw/zinc/30/85/72/412308572.db2.gz RJRUJVMSPAIBTK-VHSXEESVSA-N 2 0 225.336 0.311 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)CC2([NH3+])CC2)C[C@H]1C[NH3+] ZINC000662816378 412308834 /nfs/dbraw/zinc/30/88/34/412308834.db2.gz AXKLMVRLUVAJAU-OUAUKWLOSA-N 2 0 239.363 0.700 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000662815383 412309132 /nfs/dbraw/zinc/30/91/32/412309132.db2.gz DJGMZISLUFFUKI-RYUDHWBXSA-N 2 0 247.342 0.901 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000662818803 412309648 /nfs/dbraw/zinc/30/96/48/412309648.db2.gz AVUWGCUIUCXHPY-CIUDSAMLSA-N 2 0 201.314 0.226 20 0 BCADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662823335 412311734 /nfs/dbraw/zinc/31/17/34/412311734.db2.gz VOOORLGSESFFMK-HAQNSBGRSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662822143 412311816 /nfs/dbraw/zinc/31/18/16/412311816.db2.gz OHTPGYVRWKEYPZ-IVZWLZJFSA-N 2 0 227.352 0.617 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000662824504 412311938 /nfs/dbraw/zinc/31/19/38/412311938.db2.gz WEBCJGWJOXZHAZ-WDEREUQCSA-N 2 0 239.363 0.775 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCCC[NH2+]C1CC1 ZINC000662823916 412311964 /nfs/dbraw/zinc/31/19/64/412311964.db2.gz KFRDHJNCOSWERN-SNVBAGLBSA-N 2 0 213.325 0.243 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662822748 412312129 /nfs/dbraw/zinc/31/21/29/412312129.db2.gz QLMPZGDICSPUCQ-QEYWKRMJSA-N 2 0 213.325 0.356 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000662823944 412312130 /nfs/dbraw/zinc/31/21/30/412312130.db2.gz YYMANRVIYPXPNJ-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000662824778 412313261 /nfs/dbraw/zinc/31/32/61/412313261.db2.gz OSFWBXIUHQUCKO-QWRGUYRKSA-N 2 0 239.363 0.775 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C1([NH3+])CCCCC1 ZINC000662842230 412313777 /nfs/dbraw/zinc/31/37/77/412313777.db2.gz IONJZEDJTMXCIC-UHFFFAOYSA-N 2 0 227.352 0.844 20 0 BCADRP [NH3+]CCCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662838148 412316574 /nfs/dbraw/zinc/31/65/74/412316574.db2.gz MCIPNLXRLHLLKV-NWDGAFQWSA-N 2 0 239.363 0.858 20 0 BCADRP [NH3+]CCCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662838147 412316585 /nfs/dbraw/zinc/31/65/85/412316585.db2.gz MCIPNLXRLHLLKV-NEPJUHHUSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662837776 412317009 /nfs/dbraw/zinc/31/70/09/412317009.db2.gz KZICEJBNLOMQAC-DCAQKATOSA-N 2 0 225.336 0.467 20 0 BCADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CC[NH2+]1 ZINC000662840082 412318440 /nfs/dbraw/zinc/31/84/40/412318440.db2.gz XNKDHWHFMXNZTH-TUAOUCFPSA-N 2 0 237.347 0.481 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N(C)CC(C)(C)[NH3+] ZINC000662845371 412319531 /nfs/dbraw/zinc/31/95/31/412319531.db2.gz PIWJQBGMCCNNBQ-UHFFFAOYSA-N 2 0 229.368 0.947 20 0 BCADRP [NH3+]CC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662846073 412319845 /nfs/dbraw/zinc/31/98/45/412319845.db2.gz NQKNZADWYOXMTH-NSHDSACASA-N 2 0 225.336 0.183 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000662845873 412320111 /nfs/dbraw/zinc/32/01/11/412320111.db2.gz YJJRCNBCLSBPQR-LBPRGKRZSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)c1cc(NCC[NH3+])nc(N(C)C)[nH+]1 ZINC000420119306 412321300 /nfs/dbraw/zinc/32/13/00/412321300.db2.gz NMBNGWQYDDDHSM-UHFFFAOYSA-N 2 0 223.324 1.037 20 0 BCADRP [NH3+]CC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663000573 412366761 /nfs/dbraw/zinc/36/67/61/412366761.db2.gz JVNGBXRRJOMMLW-LLVKDONJSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@@H](CCNC(=O)C1([NH3+])CCCC1)[NH+](C)C ZINC000662859129 412326997 /nfs/dbraw/zinc/32/69/97/412326997.db2.gz KELIRGJLUKQURE-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H](CCNC(=O)[C@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000662857663 412327066 /nfs/dbraw/zinc/32/70/66/412327066.db2.gz BZNCZPAMRYZBDK-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CC[NH2+]C1 ZINC000662860313 412327801 /nfs/dbraw/zinc/32/78/01/412327801.db2.gz HNJAUJLZAJBEEV-DCAQKATOSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H](CCNC(=O)CCC(C)(C)[NH3+])[NH+](C)C ZINC000662861156 412327846 /nfs/dbraw/zinc/32/78/46/412327846.db2.gz XVYVPCBDBUEVSG-SNVBAGLBSA-N 2 0 229.368 0.960 20 0 BCADRP CC(C)[C@H](C(=O)NCC1([NH3+])CCCC1)[NH+](C)C ZINC000662863125 412329422 /nfs/dbraw/zinc/32/94/22/412329422.db2.gz LKPWVQICLCYKCK-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCC2([NH3+])CCCC2)C1 ZINC000662863346 412329681 /nfs/dbraw/zinc/32/96/81/412329681.db2.gz OVVGLMBMCPPTQU-WDEREUQCSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)C1([NH3+])CCCC1 ZINC000662877330 412333271 /nfs/dbraw/zinc/33/32/71/412333271.db2.gz USJFXMGJIXEPKC-UHFFFAOYSA-N 2 0 223.320 0.208 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC(F)F)[C@H](C[NH3+])C1 ZINC000662896237 412338346 /nfs/dbraw/zinc/33/83/46/412338346.db2.gz ISJVOYPINPEUCU-VGMNWLOBSA-N 2 0 249.305 0.555 20 0 BCADRP C[C@@]1(C(=O)NCC23CC(C2)C[NH2+]3)CCC[NH2+]C1 ZINC000662922225 412346038 /nfs/dbraw/zinc/34/60/38/412346038.db2.gz IHHXNJGWSXJQSU-YXMLORGKSA-N 2 0 237.347 0.244 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000662925888 412347008 /nfs/dbraw/zinc/34/70/08/412347008.db2.gz DPLPCQTXZFKICM-QJPTWQEYSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000662924887 412347105 /nfs/dbraw/zinc/34/71/05/412347105.db2.gz KVVJYIOVHXFUCF-NXEZZACHSA-N 2 0 229.368 0.849 20 0 BCADRP CC[C@]1(C(=O)NCC23CC(C2)C[NH2+]3)CCC[NH2+]1 ZINC000662923767 412347303 /nfs/dbraw/zinc/34/73/03/412347303.db2.gz ZVDRKLYCCOVOQY-KGPNIALWSA-N 2 0 237.347 0.387 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000662926251 412347483 /nfs/dbraw/zinc/34/74/83/412347483.db2.gz KLFUUZOMRHDGPT-KXUCPTDWSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000662944908 412350785 /nfs/dbraw/zinc/35/07/85/412350785.db2.gz ANPWGIZWFRQBHN-LNFKQOIKSA-N 2 0 243.326 0.272 20 0 BCADRP CC[C@@]1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000662945159 412351298 /nfs/dbraw/zinc/35/12/98/412351298.db2.gz HMXRPOCUGREVKQ-FOGDFJRCSA-N 2 0 243.326 0.416 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662945146 412351672 /nfs/dbraw/zinc/35/16/72/412351672.db2.gz GYENYLBGWBNIGS-BBBLOLIVSA-N 2 0 243.326 0.272 20 0 BCADRP [NH3+][C@@H]1CN(C(=O)[C@H]2CCC[NH2+]CC2)CC[C@H]1F ZINC000662945881 412351740 /nfs/dbraw/zinc/35/17/40/412351740.db2.gz WCFGJZQDBNSVGX-HBNTYKKESA-N 2 0 243.326 0.274 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662952776 412351986 /nfs/dbraw/zinc/35/19/86/412351986.db2.gz GWAIRZRJFPTBEA-WAAKLRNESA-N 2 0 239.363 0.631 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000662952739 412352134 /nfs/dbraw/zinc/35/21/34/412352134.db2.gz GCRXFEUMYSRQNM-GWCFXTLKSA-N 2 0 247.342 0.425 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]([NH3+])CC(C)C ZINC000662952820 412352751 /nfs/dbraw/zinc/35/27/51/412352751.db2.gz HUADYRHGFHYUNS-BDAKNGLRSA-N 2 0 201.314 0.084 20 0 BCADRP CC[C@]1(C(=O)N[C@@H](C)CC[NH+](C)C)CCC[NH2+]1 ZINC000121998913 171711163 /nfs/dbraw/zinc/71/11/63/171711163.db2.gz SVRQCWSTDXCWTL-WCQYABFASA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@]1(C(=O)NCC(C)(C)[NH3+])CCC[NH2+]1 ZINC000184075422 171711402 /nfs/dbraw/zinc/71/14/02/171711402.db2.gz UDIDOUOTIQNVMQ-LLVKDONJSA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CCC[NH2+]1 ZINC000186868643 171712221 /nfs/dbraw/zinc/71/22/21/171712221.db2.gz OZEXUTHOQGLYSW-GMXVVIOVSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000662953878 412353907 /nfs/dbraw/zinc/35/39/07/412353907.db2.gz QRDVUTKWTXPWDX-GXFFZTMASA-N 2 0 247.342 0.598 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000662953162 412353941 /nfs/dbraw/zinc/35/39/41/412353941.db2.gz KKYCQFVXUFSLCR-SNVBAGLBSA-N 2 0 247.342 0.207 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000662966145 412358008 /nfs/dbraw/zinc/35/80/08/412358008.db2.gz QBLPOIQTSHUYDJ-UMNHJUIQSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000662967145 412358532 /nfs/dbraw/zinc/35/85/32/412358532.db2.gz FSMQMGZNAVTDIK-ZJUUUORDSA-N 2 0 227.352 0.489 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[N@@H+]1C ZINC000132922016 412358843 /nfs/dbraw/zinc/35/88/43/412358843.db2.gz RZJIMMLDNPRCAC-YFKTTZPYSA-N 2 0 239.363 0.713 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2nccn2C1 ZINC000662968139 412359876 /nfs/dbraw/zinc/35/98/76/412359876.db2.gz FOPJLPTXFPSBJX-VHSXEESVSA-N 2 0 236.319 0.170 20 0 BCADRP [NH3+][C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)CC[C@H]1F ZINC000662748114 412289642 /nfs/dbraw/zinc/28/96/42/412289642.db2.gz LVQISVHHXAJHPF-IVZWLZJFSA-N 2 0 229.299 0.026 20 0 BCADRP C[C@H]1C[C@@H](N(C)C(=O)CC2([NH3+])CC2)CC[N@@H+]1C ZINC000662746229 412289988 /nfs/dbraw/zinc/28/99/88/412289988.db2.gz SBTFOVBRLNDWKA-QWRGUYRKSA-N 2 0 239.363 0.809 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662747320 412290128 /nfs/dbraw/zinc/29/01/28/412290128.db2.gz SLFISHXLNKSOGL-JLIMGVALSA-N 2 0 231.315 0.258 20 0 BCADRP C[C@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000662747289 412290256 /nfs/dbraw/zinc/29/02/56/412290256.db2.gz YZYWPXZIPVMLGK-FIQHERPVSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662754336 412291236 /nfs/dbraw/zinc/29/12/36/412291236.db2.gz LASWGRCEEFISKT-DNRKLUKYSA-N 2 0 237.347 0.323 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662756925 412292961 /nfs/dbraw/zinc/29/29/61/412292961.db2.gz JVSJOCAZGQHJLN-DTWKUNHWSA-N 2 0 213.325 0.086 20 0 BCADRP [NH3+][C@@H](CNC(=O)C1([NH2+]C2CC2)CCC1)C1CC1 ZINC000662763357 412293368 /nfs/dbraw/zinc/29/33/68/412293368.db2.gz YCZZOECLFXTYDO-NSHDSACASA-N 2 0 237.347 0.515 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000662765342 412294514 /nfs/dbraw/zinc/29/45/14/412294514.db2.gz YLGAUHUTYOYHJG-NSHDSACASA-N 2 0 248.330 0.664 20 0 BCADRP [NH3+]C1(CNC(=O)C2([NH3+])CC3(CCC3)C2)CCC1 ZINC000662764709 412294586 /nfs/dbraw/zinc/29/45/86/412294586.db2.gz NBHDIOUIKAIPRQ-UHFFFAOYSA-N 2 0 237.347 0.646 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CC3([NH3+])CC3)C[C@@H]21 ZINC000662765828 412294693 /nfs/dbraw/zinc/29/46/93/412294693.db2.gz IUGAXGLDUYLBOV-OUAUKWLOSA-N 2 0 237.347 0.454 20 0 BCADRP C[C@]1(CNC(=O)[C@H]2C[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000662764019 412295072 /nfs/dbraw/zinc/29/50/72/412295072.db2.gz HDGRFAWDTYJKDP-NHCYSSNCSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000662766372 412295831 /nfs/dbraw/zinc/29/58/31/412295831.db2.gz MCDSYCKEXFYTEP-LZQZFOIKSA-N 2 0 237.347 0.310 20 0 BCADRP CC1([NH3+])CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662770552 412296782 /nfs/dbraw/zinc/29/67/82/412296782.db2.gz PNUOJQNJTJUMGQ-KYZUINATSA-N 2 0 211.309 0.064 20 0 BCADRP C[C@H]([NH3+])CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662774958 412298421 /nfs/dbraw/zinc/29/84/21/412298421.db2.gz RTRYPIGDBBDSJG-QMMMGPOBSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000662999889 412365955 /nfs/dbraw/zinc/36/59/55/412365955.db2.gz CWHVKDUVLJZTTM-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000662776494 412299259 /nfs/dbraw/zinc/29/92/59/412299259.db2.gz XNKFJZFIBABXPU-NAKRPEOUSA-N 2 0 225.336 0.310 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000662778213 412299375 /nfs/dbraw/zinc/29/93/75/412299375.db2.gz FTHDGINRLJRZSA-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000662999888 412365987 /nfs/dbraw/zinc/36/59/87/412365987.db2.gz CWHVKDUVLJZTTM-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000662782710 412299913 /nfs/dbraw/zinc/29/99/13/412299913.db2.gz GNXVKRMYBXOTFS-BDAKNGLRSA-N 2 0 211.309 0.111 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662780376 412299980 /nfs/dbraw/zinc/29/99/80/412299980.db2.gz PMCHTTXSHHBSMD-DCAQKATOSA-N 2 0 225.336 0.454 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000662778209 412300171 /nfs/dbraw/zinc/30/01/71/412300171.db2.gz FTHDGINRLJRZSA-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000662782356 412300681 /nfs/dbraw/zinc/30/06/81/412300681.db2.gz ZAFKEQUJNHZOAV-DOLQZWNJSA-N 2 0 213.325 0.097 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)C(F)(F)F ZINC000662785588 412302109 /nfs/dbraw/zinc/30/21/09/412302109.db2.gz YMLZDAZUTLRYAZ-FSDSQADBSA-N 2 0 239.241 0.120 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000662792250 412303823 /nfs/dbraw/zinc/30/38/23/412303823.db2.gz POSDGHNFPZHVBT-MGCOHNPYSA-N 2 0 223.320 0.030 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(CCOC)CC[NH+](C)C ZINC000662791261 412304324 /nfs/dbraw/zinc/30/43/24/412304324.db2.gz PQSYCFNTUONPMD-NSHDSACASA-N 2 0 245.367 0.021 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662795127 412305068 /nfs/dbraw/zinc/30/50/68/412305068.db2.gz XAQWVDNWXXWZMI-KKOKHZNYSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@@]1(NC(=O)c2ccnc(C[NH3+])c2)CC[NH2+]C1 ZINC000663009477 412368694 /nfs/dbraw/zinc/36/86/94/412368694.db2.gz DDXOSGZKYXLXLW-GFCCVEGCSA-N 2 0 234.303 0.022 20 0 BCADRP C[C@]1(NC(=O)[C@@H]2CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC000663010018 412368792 /nfs/dbraw/zinc/36/87/92/412368792.db2.gz HMVSVCVSSPVVKE-JQWIXIFHSA-N 2 0 237.347 0.244 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663009546 412368936 /nfs/dbraw/zinc/36/89/36/412368936.db2.gz FCKSXYUTSVKOHG-LLVKDONJSA-N 2 0 213.325 0.196 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663011325 412370031 /nfs/dbraw/zinc/37/00/31/412370031.db2.gz PJVKJFOMDWKHHN-GWCFXTLKSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@]1(NC(=O)[C@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000663012143 412370114 /nfs/dbraw/zinc/37/01/14/412370114.db2.gz UQMFOSSJLNLFBC-SCZZXKLOSA-N 2 0 247.289 0.099 20 0 BCADRP NC(=[NH2+])NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663234442 412396165 /nfs/dbraw/zinc/39/61/65/412396165.db2.gz SJAPDZPZATXLKE-JTQLQIEISA-N 2 0 210.325 0.591 20 0 BCADRP CN(C(=O)C[C@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000125479667 172313826 /nfs/dbraw/zinc/31/38/26/172313826.db2.gz IDGNQKVCDATYLV-SNVBAGLBSA-N 2 0 225.336 0.339 20 0 BCADRP CN(C(=O)[C@@H](C[NH3+])c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000179061925 172324785 /nfs/dbraw/zinc/32/47/85/172324785.db2.gz YYMRFGJTXNJMKO-STQMWFEESA-N 2 0 247.342 0.549 20 0 BCADRP CN(C(=O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000178409301 172325329 /nfs/dbraw/zinc/32/53/29/172325329.db2.gz OGHSTWXVCAEDLF-STQMWFEESA-N 2 0 247.342 0.377 20 0 BCADRP CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CC[NH2+]C1 ZINC000378305999 172326360 /nfs/dbraw/zinc/32/63/60/172326360.db2.gz KSJPZYJLOGEAFG-MNOVXSKESA-N 2 0 237.347 0.196 20 0 BCADRP CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]CC1 ZINC000364639375 172329343 /nfs/dbraw/zinc/32/93/43/172329343.db2.gz BNUGOZBTLLSSDA-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP CN(C)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335397038 172365079 /nfs/dbraw/zinc/36/50/79/172365079.db2.gz SFAOUWHZTMKIQU-PHIMTYICSA-N 2 0 225.336 0.006 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134538510 172392923 /nfs/dbraw/zinc/39/29/23/172392923.db2.gz ZNONNTOKGRLWNA-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH+](C)C/C=C/C(=O)NCCCC[NH+](C)C ZINC000265670938 172399810 /nfs/dbraw/zinc/39/98/10/172399810.db2.gz HHNBDLLVUKKDGD-BQYQJAHWSA-N 2 0 227.352 0.562 20 0 BCADRP C[NH+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC000366186957 172437634 /nfs/dbraw/zinc/43/76/34/172437634.db2.gz OTHVDYZQIBPUHR-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(C)(C)[NH3+])C1 ZINC000237045475 172536793 /nfs/dbraw/zinc/53/67/93/172536793.db2.gz TYNRKISXIHYDQM-UWVGGRQHSA-N 2 0 227.352 0.713 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC000309204173 173012046 /nfs/dbraw/zinc/01/20/46/173012046.db2.gz MBSMDCSHGPUZJH-QMMMGPOBSA-N 2 0 235.278 0.133 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)CC(N)=O ZINC000309544291 173027112 /nfs/dbraw/zinc/02/71/12/173027112.db2.gz GNKGSSWNCHGUMN-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C(C)(C)[NH3+] ZINC000371262369 173032780 /nfs/dbraw/zinc/03/27/80/173032780.db2.gz LGEQTKZOYYBGFR-GHMZBOCLSA-N 2 0 239.363 0.809 20 0 BCADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCC[NH3+] ZINC000371261585 173035042 /nfs/dbraw/zinc/03/50/42/173035042.db2.gz AWGADRZJBCYAAS-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3COC[C@H]3O)CC[C@H]21 ZINC000310212398 173036985 /nfs/dbraw/zinc/03/69/85/173036985.db2.gz HCJCTDSGZZUSMI-FDYHWXHSSA-N 2 0 240.347 0.162 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000354291774 173050674 /nfs/dbraw/zinc/05/06/74/173050674.db2.gz PEJNUMALFPYHOH-RYUDHWBXSA-N 2 0 239.363 0.537 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@](C)(C(N)=O)C1 ZINC000361567326 173053623 /nfs/dbraw/zinc/05/36/23/173053623.db2.gz ULOFPQZHDOMSEW-WCQYABFASA-N 2 0 239.363 0.668 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000227424845 173055178 /nfs/dbraw/zinc/05/51/78/173055178.db2.gz XXQABRKUHWBNPB-AAEUAGOBSA-N 2 0 239.363 0.587 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000309221328 173057461 /nfs/dbraw/zinc/05/74/61/173057461.db2.gz YEAFOXKKCHNACM-YUMQZZPRSA-N 2 0 235.278 0.179 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000037655367 173145235 /nfs/dbraw/zinc/14/52/35/173145235.db2.gz KIHAIHZQMWWFCK-GFCCVEGCSA-N 2 0 247.342 0.827 20 0 BCADRP CN(CCC[NH+]1CCCC1)[C@H]1CCN(C)C1=O ZINC000336716731 173148688 /nfs/dbraw/zinc/14/86/88/173148688.db2.gz WBAALTPDUJUOIT-LBPRGKRZSA-N 2 0 239.363 0.635 20 0 BCADRP CNC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123266431 173273356 /nfs/dbraw/zinc/27/33/56/173273356.db2.gz HFMKIRPHWANEGT-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000356796118 173280112 /nfs/dbraw/zinc/28/01/12/173280112.db2.gz YQSGUEGXJKULLO-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359089656 173282177 /nfs/dbraw/zinc/28/21/77/173282177.db2.gz BSTVUVJDGVUCAE-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000336769442 173282651 /nfs/dbraw/zinc/28/26/51/173282651.db2.gz RYNAGCGCBDTBSL-HBNTYKKESA-N 2 0 227.352 0.583 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000341985072 173282782 /nfs/dbraw/zinc/28/27/82/173282782.db2.gz ZRQIJBWIQICNDZ-JBLDHEPKSA-N 2 0 239.363 0.583 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1CCCN(C)[C@@H]1C ZINC000336762848 173282798 /nfs/dbraw/zinc/28/27/98/173282798.db2.gz LUUWEZFUMLDAQX-HBNTYKKESA-N 2 0 227.352 0.583 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000308941282 173282913 /nfs/dbraw/zinc/28/29/13/173282913.db2.gz MGEBCRZZVJUYPP-LPEHRKFASA-N 2 0 213.325 0.051 20 0 BCADRP CNC(=O)[C@H](C)N[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000042561634 173303541 /nfs/dbraw/zinc/30/35/41/173303541.db2.gz JHAMDVCITGAUHW-CHWFTXMASA-N 2 0 227.352 0.439 20 0 BCADRP CNC(=O)[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000043497667 173307488 /nfs/dbraw/zinc/30/74/88/173307488.db2.gz FSLCOLAGLZSTLO-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000108329445 173325995 /nfs/dbraw/zinc/32/59/95/173325995.db2.gz GAKLBEQHQSRLJG-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000366626524 173326356 /nfs/dbraw/zinc/32/63/56/173326356.db2.gz BQCGJVRNGCUVOC-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000237198346 173327080 /nfs/dbraw/zinc/32/70/80/173327080.db2.gz ATJLYEIWINWHIY-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH2+]CC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973498 173328071 /nfs/dbraw/zinc/32/80/71/173328071.db2.gz SVYWGOOIMOQDBI-LLVKDONJSA-N 2 0 225.336 0.293 20 0 BCADRP C[NH2+]CC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000237220744 173328418 /nfs/dbraw/zinc/32/84/18/173328418.db2.gz GWYNPEHUCQNGLG-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000038042279 173328875 /nfs/dbraw/zinc/32/88/75/173328875.db2.gz NKFFBWNUCWHPJK-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000237230366 173329567 /nfs/dbraw/zinc/32/95/67/173329567.db2.gz RJZZNEZGHVSIBX-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000059930859 173329642 /nfs/dbraw/zinc/32/96/42/173329642.db2.gz HEUHFVYYJYPJMH-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP C[NH2+]CC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040670575 173329992 /nfs/dbraw/zinc/32/99/92/173329992.db2.gz HEHFASOARAUEDW-DGCLKSJQSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000040420120 173330150 /nfs/dbraw/zinc/33/01/50/173330150.db2.gz OUGZJOSSKQFLJT-GFCCVEGCSA-N 2 0 235.331 0.625 20 0 BCADRP C[NH2+]CC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000036999107 173330203 /nfs/dbraw/zinc/33/02/03/173330203.db2.gz FMWPZRZKXPRULZ-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP C[NH2+]CC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000375961688 173330653 /nfs/dbraw/zinc/33/06/53/173330653.db2.gz CTJHGAMCKSCWLA-GFCCVEGCSA-N 2 0 233.315 0.209 20 0 BCADRP C[NH2+]CC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000336121923 173333959 /nfs/dbraw/zinc/33/39/59/173333959.db2.gz IUDULJOZWQXKLK-UHFFFAOYSA-N 2 0 219.288 0.490 20 0 BCADRP C[NH2+]CCC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000309500171 173338536 /nfs/dbraw/zinc/33/85/36/173338536.db2.gz USDLYGHBKFBZOU-JTQLQIEISA-N 2 0 215.341 0.428 20 0 BCADRP C[NH2+]CCC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000043605317 173339164 /nfs/dbraw/zinc/33/91/64/173339164.db2.gz QUJRRUFOZOHCQK-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP C[NH2+]CCC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000377817504 173339560 /nfs/dbraw/zinc/33/95/60/173339560.db2.gz ULYMMVJDLCYUIO-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+]CCC(=O)NCCC[NH+]1CCCCCC1 ZINC000357189231 173339746 /nfs/dbraw/zinc/33/97/46/173339746.db2.gz NAHWDNMSLAANLU-UHFFFAOYSA-N 2 0 241.379 0.978 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000375834064 173339954 /nfs/dbraw/zinc/33/99/54/173339954.db2.gz KKNXPNXRUALSCF-DCAQKATOSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]CCC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000043599762 173340137 /nfs/dbraw/zinc/34/01/37/173340137.db2.gz DCECCZYMFNQLLM-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H](C)Cn1ccnc1C ZINC000285752202 173340769 /nfs/dbraw/zinc/34/07/69/173340769.db2.gz JHICUQGQAQTURP-JTQLQIEISA-N 2 0 238.335 0.553 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000357243795 173341619 /nfs/dbraw/zinc/34/16/19/173341619.db2.gz RBJZFSBGHWNYAQ-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000357243793 173341757 /nfs/dbraw/zinc/34/17/57/173341757.db2.gz RBJZFSBGHWNYAQ-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000373615133 173343710 /nfs/dbraw/zinc/34/37/10/173343710.db2.gz HOXCKEZPQDNBKM-AAEUAGOBSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]CCCC(=O)NCC1CC[NH+](C)CC1 ZINC000044526680 173343728 /nfs/dbraw/zinc/34/37/28/173343728.db2.gz ZDIOYSIBSBVQGL-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000094459951 173344065 /nfs/dbraw/zinc/34/40/65/173344065.db2.gz WBRDFRRXMYBHRU-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726834 173344983 /nfs/dbraw/zinc/34/49/83/173344983.db2.gz LLKLYSGJQCKSPJ-JTQLQIEISA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357294275 173345419 /nfs/dbraw/zinc/34/54/19/173345419.db2.gz JCVSDEQRVUDHEF-JFGNBEQYSA-N 2 0 227.352 0.489 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000124633768 173345713 /nfs/dbraw/zinc/34/57/13/173345713.db2.gz VHPJCCWXFXVRPV-CYBMUJFWSA-N 2 0 249.358 0.797 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000124615481 173346373 /nfs/dbraw/zinc/34/63/73/173346373.db2.gz WVNWYORWJXMRAH-CQSZACIVSA-N 2 0 249.358 0.928 20 0 BCADRP C[NH2+]CCC[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000204536569 173346960 /nfs/dbraw/zinc/34/69/60/173346960.db2.gz ACSZCFDDFHQTAF-MNOVXSKESA-N 2 0 200.326 0.953 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000368115587 173347749 /nfs/dbraw/zinc/34/77/49/173347749.db2.gz OPTVBQFJRMHGNG-QWRGUYRKSA-N 2 0 227.352 0.346 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000121021134 173348132 /nfs/dbraw/zinc/34/81/32/173348132.db2.gz XHRXOKWTOUOISJ-JTQLQIEISA-N 2 0 215.341 0.298 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000083362636 173348420 /nfs/dbraw/zinc/34/84/20/173348420.db2.gz PDRXYTSHWDOFBU-GFCCVEGCSA-N 2 0 235.331 0.721 20 0 BCADRP C[NH2+]CCCN[C@@H](C(N)=O)C(C)(C)C ZINC000336733167 173350088 /nfs/dbraw/zinc/35/00/88/173350088.db2.gz MDTUGBUZEKADFU-QMMMGPOBSA-N 2 0 201.314 0.086 20 0 BCADRP C[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C ZINC000237280970 173351060 /nfs/dbraw/zinc/35/10/60/173351060.db2.gz YUBLUGLCSNLHJO-UHFFFAOYSA-N 2 0 201.314 0.004 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000237312532 173351907 /nfs/dbraw/zinc/35/19/07/173351907.db2.gz FZMIEFSRRXLJHU-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237071372 173354999 /nfs/dbraw/zinc/35/49/99/173354999.db2.gz VWKQUJFFQDJPBX-DCAQKATOSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000262622025 173355066 /nfs/dbraw/zinc/35/50/66/173355066.db2.gz FEQLIGGGJHSFMJ-NSHDSACASA-N 2 0 221.304 0.330 20 0 BCADRP C[NH2+]CCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000237082737 173355141 /nfs/dbraw/zinc/35/51/41/173355141.db2.gz LNPHKSLTZOEMRY-GFCCVEGCSA-N 2 0 233.315 0.037 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000237147095 173362383 /nfs/dbraw/zinc/36/23/83/173362383.db2.gz IWVRGZNICIPUIU-GHMZBOCLSA-N 2 0 229.368 0.674 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CSCN2)C1 ZINC000237192464 173367717 /nfs/dbraw/zinc/36/77/17/173367717.db2.gz ITSUCPBLBRJGCJ-VHSXEESVSA-N 2 0 243.376 0.107 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(CC(=O)N(C)C2CC2)C1 ZINC000049306476 173368147 /nfs/dbraw/zinc/36/81/47/173368147.db2.gz HSTOZELPTRGXQX-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CSCN2)C1 ZINC000237187216 173368272 /nfs/dbraw/zinc/36/82/72/173368272.db2.gz ITSUCPBLBRJGCJ-UWVGGRQHSA-N 2 0 243.376 0.107 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000237192096 173368356 /nfs/dbraw/zinc/36/83/56/173368356.db2.gz DVNYNWVCWSPNJI-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000071146032 173370753 /nfs/dbraw/zinc/37/07/53/173370753.db2.gz DLHBJQSEWMIWGM-LBPRGKRZSA-N 2 0 247.342 0.827 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000366933991 173371881 /nfs/dbraw/zinc/37/18/81/173371881.db2.gz NCCYWXVTVMAYEL-JXUBOQSCSA-N 2 0 231.315 0.128 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000364643654 173373076 /nfs/dbraw/zinc/37/30/76/173373076.db2.gz WLDDWGSGEYKNAX-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000336612220 173373585 /nfs/dbraw/zinc/37/35/85/173373585.db2.gz SVLYNSSTTYVDBC-NSHDSACASA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000092136849 173373852 /nfs/dbraw/zinc/37/38/52/173373852.db2.gz VQNBTCXWEQNFPR-NEPJUHHUSA-N 2 0 241.379 0.690 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094460243 173374189 /nfs/dbraw/zinc/37/41/89/173374189.db2.gz FYJQDRFOWVEZEX-SDDRHHMPSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000374630747 173374205 /nfs/dbraw/zinc/37/42/05/173374205.db2.gz NEDAMRIIFXSEIQ-FIQHERPVSA-N 2 0 239.363 0.428 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000092135807 173374262 /nfs/dbraw/zinc/37/42/62/173374262.db2.gz UTVYDUYWWOOOBS-NWDGAFQWSA-N 2 0 243.395 0.934 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000226394658 173374326 /nfs/dbraw/zinc/37/43/26/173374326.db2.gz MDPIFUYNFITDKD-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000092133863 173374395 /nfs/dbraw/zinc/37/43/95/173374395.db2.gz VUXIEMUGYLVDPV-WDEREUQCSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000237053308 173374868 /nfs/dbraw/zinc/37/48/68/173374868.db2.gz KCVFARAJZOQDNF-UWVGGRQHSA-N 2 0 215.341 0.332 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H](C[NH3+])C(C)C ZINC000309514691 173375317 /nfs/dbraw/zinc/37/53/17/173375317.db2.gz YHJGSSZMBLBYCV-VHSXEESVSA-N 2 0 215.341 0.189 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000368554844 173380538 /nfs/dbraw/zinc/38/05/38/173380538.db2.gz DLZOGTRWZUZHLS-IJLUTSLNSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000364468531 173380612 /nfs/dbraw/zinc/38/06/12/173380612.db2.gz QTIGVIFOTOKGDH-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000364475381 173435708 /nfs/dbraw/zinc/43/57/08/173435708.db2.gz BJQUGHIMBBHOHF-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP COC1CCC([N@H+](C)CCOCC[NH3+])CC1 ZINC000357080757 174021864 /nfs/dbraw/zinc/02/18/64/174021864.db2.gz VBRKSVNWJUDGMC-UHFFFAOYSA-N 2 0 230.352 0.851 20 0 BCADRP COCCC[N@H+](CCO)CC1CC[NH2+]CC1 ZINC000339430804 174224429 /nfs/dbraw/zinc/22/44/29/174224429.db2.gz OFWPFLNHBBGXNF-UHFFFAOYSA-N 2 0 230.352 0.317 20 0 BCADRP COCCC[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000363254059 174232796 /nfs/dbraw/zinc/23/27/96/174232796.db2.gz XKVOVMHDKZSDNH-ZDUSSCGKSA-N 2 0 242.363 0.677 20 0 BCADRP COCCCOCC[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000340707694 174254469 /nfs/dbraw/zinc/25/44/69/174254469.db2.gz ISXGTAYCGIPSJB-ZDUSSCGKSA-N 2 0 244.379 0.971 20 0 BCADRP COCCN1CC[C@@H]([NH2+][C@H](C)CCCCO)C1 ZINC000352746358 174313922 /nfs/dbraw/zinc/31/39/22/174313922.db2.gz PQBUMWQKAWTRJX-CHWSQXEVSA-N 2 0 244.379 0.848 20 0 BCADRP COCCN1CC[C@H]([NH2+][C@H](C)C[C@@H](C)O)C1 ZINC000336779156 174315940 /nfs/dbraw/zinc/31/59/40/174315940.db2.gz NICYHHGXKCINQZ-UTUOFQBUSA-N 2 0 230.352 0.456 20 0 BCADRP COCCOC1CC[NH+](CCOCC[NH3+])CC1 ZINC000357107521 174343626 /nfs/dbraw/zinc/34/36/26/174343626.db2.gz RQSOJCPYIZKDQJ-UHFFFAOYSA-N 2 0 246.351 0.089 20 0 BCADRP COCCOCCN1CCCC[C@H]1C[NH3+] ZINC000070531754 174353764 /nfs/dbraw/zinc/35/37/64/174353764.db2.gz OFEJASHPWGLVTR-NSHDSACASA-N 2 0 216.325 0.463 20 0 BCADRP C[N@H+](CC[C@H]1CCCO1)CCN1CC[NH2+]CC1 ZINC000087266424 487629444 /nfs/dbraw/zinc/62/94/44/487629444.db2.gz JMRYMSGMAWOEDQ-CYBMUJFWSA-N 2 0 241.379 0.393 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CCC[NH+](CC)CC1 ZINC000383489544 487629975 /nfs/dbraw/zinc/62/99/75/487629975.db2.gz APEIQBYNIYNETP-ZDUSSCGKSA-N 2 0 243.395 0.327 20 0 BCADRP C[C@@H](CNC(=O)CC[NH3+])[NH+]1CCCCC1 ZINC000038029454 175723846 /nfs/dbraw/zinc/72/38/46/175723846.db2.gz FTHOVCHTDJAIGE-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371230831 175794575 /nfs/dbraw/zinc/79/45/75/175794575.db2.gz NKAVIPBFBBBJAX-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000237678123 176070909 /nfs/dbraw/zinc/07/09/09/176070909.db2.gz GJXNVXFLCHEJFT-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C[NH3+] ZINC000019471020 176071302 /nfs/dbraw/zinc/07/13/02/176071302.db2.gz BHJJZDCIMMNNJI-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)C[C@@H]1C[NH3+] ZINC000332446905 176159777 /nfs/dbraw/zinc/15/97/77/176159777.db2.gz MHOQTQKOINDETO-USWWRNFRSA-N 2 0 239.363 0.557 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])C2CCC2)C[C@@H]1C[NH3+] ZINC000332446903 176161723 /nfs/dbraw/zinc/16/17/23/176161723.db2.gz MHOQTQKOINDETO-ADEWGFFLSA-N 2 0 239.363 0.557 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000357299304 176187094 /nfs/dbraw/zinc/18/70/94/176187094.db2.gz NDZKGCMQXHWGAP-GWOFURMSSA-N 2 0 225.336 0.099 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000357299301 176187704 /nfs/dbraw/zinc/18/77/04/176187704.db2.gz NDZKGCMQXHWGAP-CHWFTXMASA-N 2 0 225.336 0.099 20 0 BCADRP C[C@@H]1CN(C(=O)C[NH2+]CC2CC2)[C@H](C)C[NH2+]1 ZINC000356371364 176247486 /nfs/dbraw/zinc/24/74/86/176247486.db2.gz GPNXJZVILREXQI-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1CN(C(=O)NC[C@H]([NH3+])C2CC2)[C@H](C)C[NH2+]1 ZINC000331893675 176251376 /nfs/dbraw/zinc/25/13/76/176251376.db2.gz RJVZYWVANFOEJY-KKZNHRDASA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CC2)[C@H](C)C[NH2+]1 ZINC000332147131 176252179 /nfs/dbraw/zinc/25/21/79/176252179.db2.gz NRZQIDDNPCYIND-FXPVBKGRSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)OCCO ZINC000352495056 176268293 /nfs/dbraw/zinc/26/82/93/176268293.db2.gz IHAJKOKABQRDMJ-NEPJUHHUSA-N 2 0 244.379 0.704 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)OCCO ZINC000352495059 176268583 /nfs/dbraw/zinc/26/85/83/176268583.db2.gz IHAJKOKABQRDMJ-VXGBXAGGSA-N 2 0 244.379 0.704 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+](C)C1CC1 ZINC000362615723 176272206 /nfs/dbraw/zinc/27/22/06/176272206.db2.gz JDIGBEVRYXCMIW-PWSUYJOCSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000341454401 176272679 /nfs/dbraw/zinc/27/26/79/176272679.db2.gz MVUQLVSUUUOUAV-MNOVXSKESA-N 2 0 241.379 0.641 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1CCC[NH+]1C ZINC000362763384 176272730 /nfs/dbraw/zinc/27/27/30/176272730.db2.gz RLIKKLGFQAFBPZ-UTUOFQBUSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1c[nH]cn1 ZINC000362819319 176275462 /nfs/dbraw/zinc/27/54/62/176275462.db2.gz FCQMIROKNZNRCY-PSASIEDQSA-N 2 0 222.292 0.224 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H]1CC[NH+](C)C1 ZINC000362585017 176276092 /nfs/dbraw/zinc/27/60/92/176276092.db2.gz AYBMAQYUSVADMC-GRYCIOLGSA-N 2 0 239.363 0.252 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000362875586 176276352 /nfs/dbraw/zinc/27/63/52/176276352.db2.gz MFPJCHPLBNWYDW-GHMZBOCLSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@@H]1CN(CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC000108357043 176288599 /nfs/dbraw/zinc/28/85/99/176288599.db2.gz HESIQTFRXVCZCY-LLVKDONJSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCO ZINC000305067903 176297245 /nfs/dbraw/zinc/29/72/45/176297245.db2.gz JQVVKRBKMXNELM-AGIUHOORSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1c[nH+]ccc1N ZINC000294980025 176328274 /nfs/dbraw/zinc/32/82/74/176328274.db2.gz JQMORMOSEISMMT-LDYMZIIASA-N 2 0 234.303 0.392 20 0 BCADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000305856996 176341782 /nfs/dbraw/zinc/34/17/82/176341782.db2.gz NAPLAZNDSTXMJH-AGIUHOORSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000305856998 176344578 /nfs/dbraw/zinc/34/45/78/176344578.db2.gz NAPLAZNDSTXMJH-FRRDWIJNSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C2([NH3+])CCCC2)CC[NH2+]1 ZINC000336229368 176372832 /nfs/dbraw/zinc/37/28/32/176372832.db2.gz BXFYXWKSXWIMEO-ZJUUUORDSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C2([NH3+])CC2)CC[N@@H+]1C ZINC000132918368 176373089 /nfs/dbraw/zinc/37/30/89/176373089.db2.gz TYCFHPUPRDKBDP-BDAKNGLRSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@]2(C)CC[NH2+]C2)CC[N@@H+]1C ZINC000132939040 176373972 /nfs/dbraw/zinc/37/39/72/176373972.db2.gz XFKIVMXRIBYQGM-NTZNESFSSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCO1 ZINC000300413772 176376107 /nfs/dbraw/zinc/37/61/07/176376107.db2.gz CXVXBYDENWUSDU-AGIUHOORSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@@H]1C[C@@H](O)C[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336647259 176383244 /nfs/dbraw/zinc/38/32/44/176383244.db2.gz LWBQZYOOKAZLRG-GRYCIOLGSA-N 2 0 212.337 0.926 20 0 BCADRP C[C@@H]1C[C@@H]1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000336780837 176395705 /nfs/dbraw/zinc/39/57/05/176395705.db2.gz SGIXZDFMLXIBFR-CHWSQXEVSA-N 2 0 225.380 0.870 20 0 BCADRP C[C@@H]1C[C@@H]1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309099406 176395871 /nfs/dbraw/zinc/39/58/71/176395871.db2.gz FBQWBZUYMKRCLD-GHMZBOCLSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000310587436 176624782 /nfs/dbraw/zinc/62/47/82/176624782.db2.gz WLSYDGADJPTHFJ-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000375835767 176655605 /nfs/dbraw/zinc/65/56/05/176655605.db2.gz YUMALGQHHJNHJH-RCWTZXSCSA-N 2 0 225.336 0.167 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000367648998 176655996 /nfs/dbraw/zinc/65/59/96/176655996.db2.gz ONUKFWIYNYYHQE-CKYFFXLPSA-N 2 0 225.336 0.311 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000262535365 176656355 /nfs/dbraw/zinc/65/63/55/176656355.db2.gz MOEPNIVMDHHDNT-LLVKDONJSA-N 2 0 249.358 0.959 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000124431797 176656731 /nfs/dbraw/zinc/65/67/31/176656731.db2.gz WMMJJLLJZPOWKX-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(C)(C)C[NH3+] ZINC000044752083 176665293 /nfs/dbraw/zinc/66/52/93/176665293.db2.gz SWERDFJOKJADSI-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](CNC(=O)C(C)(C)C[NH3+])C[NH+]1CCCC1 ZINC000062073567 176670929 /nfs/dbraw/zinc/67/09/29/176670929.db2.gz BUJQJOXOZQJKRF-LLVKDONJSA-N 2 0 241.379 0.819 20 0 BCADRP C[C@H](CNC(=O)CCC[NH3+])C[NH+]1CCCC1 ZINC000059930726 176672236 /nfs/dbraw/zinc/67/22/36/176672236.db2.gz LKZAYKRCERNDLF-LLVKDONJSA-N 2 0 227.352 0.573 20 0 BCADRP C[C@@H](C(=O)NCCC1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000187573375 176763200 /nfs/dbraw/zinc/76/32/00/176763200.db2.gz SABIUNKPAKBEAT-MNOVXSKESA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372875212 176768188 /nfs/dbraw/zinc/76/81/88/176768188.db2.gz GOCOSIUUSOCVHM-NAKRPEOUSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H]1CC2(C[N@@H+]1CCC[NH3+])CC[NH2+]CC2 ZINC000335276513 177068133 /nfs/dbraw/zinc/06/81/33/177068133.db2.gz FDNNNYGCLQRXSO-NSHDSACASA-N 3 0 211.353 0.799 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237510049 177075525 /nfs/dbraw/zinc/07/55/25/177075525.db2.gz BYHFSAHWZBPQAD-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000237498604 177098639 /nfs/dbraw/zinc/09/86/39/177098639.db2.gz DTVKHXLHZDETBL-NWDGAFQWSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000333627398 177151894 /nfs/dbraw/zinc/15/18/94/177151894.db2.gz SIQJTPGYWAPOAE-QJPTWQEYSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@H](C[NH+](C)C)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000346229977 177185959 /nfs/dbraw/zinc/18/59/59/177185959.db2.gz SUGRZBMCZUUYGI-UTUOFQBUSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CC[NH2+]CC1 ZINC000336516379 177199428 /nfs/dbraw/zinc/19/94/28/177199428.db2.gz AHMXZACPQVXXJB-QWRGUYRKSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000367385637 177222972 /nfs/dbraw/zinc/22/29/72/177222972.db2.gz KRGYPLLYNVLRTC-QCNOEVLYSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000368562037 177223396 /nfs/dbraw/zinc/22/33/96/177223396.db2.gz OBRXCUBJSBBHBU-HBNTYKKESA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[C@H](C)[NH3+] ZINC000249144585 177224236 /nfs/dbraw/zinc/22/42/36/177224236.db2.gz ZUAKTDBHRSDKKI-RGOKHQFPSA-N 2 0 213.325 0.179 20 0 BCADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335605719 177236443 /nfs/dbraw/zinc/23/64/43/177236443.db2.gz FPTCYSPKGIFOKC-AAEUAGOBSA-N 2 0 223.364 0.788 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227411632 177280829 /nfs/dbraw/zinc/28/08/29/177280829.db2.gz OWWCSQBRLBTKBL-AXFHLTTASA-N 2 0 225.336 0.419 20 0 BCADRP C[C@H]1COCC[C@H]1[NH2+]CCc1cncn1C ZINC000336780538 177296484 /nfs/dbraw/zinc/29/64/84/177296484.db2.gz RPJBMDRMNCFGBC-CMPLNLGQSA-N 2 0 223.320 0.977 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)C)CC[NH2+]1 ZINC000235634711 177308380 /nfs/dbraw/zinc/30/83/80/177308380.db2.gz DZTPLJJVIADPMX-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1cnn(C)c1 ZINC000228659139 177324493 /nfs/dbraw/zinc/32/44/93/177324493.db2.gz KMSWJDVTJPBVCL-JQWIXIFHSA-N 2 0 222.336 0.632 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C2([NH3+])CCCC2)CC[NH2+]1 ZINC000336229366 177328464 /nfs/dbraw/zinc/32/84/64/177328464.db2.gz BXFYXWKSXWIMEO-UWVGGRQHSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C(C)(C)C[NH3+])CC[N@@H+]1C ZINC000133150785 177328999 /nfs/dbraw/zinc/32/89/99/177328999.db2.gz KYPUKFULLNOADH-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000331759730 177330096 /nfs/dbraw/zinc/33/00/96/177330096.db2.gz JWSFPNGCBJQTNN-KXUCPTDWSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC(=O)N(C)C ZINC000037751912 177331060 /nfs/dbraw/zinc/33/10/60/177331060.db2.gz KDNWHEHKQPFKGQ-GRYCIOLGSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@H]1C[C@H](NC(=O)CC[NH3+])C[N@@H+]1C1CC1 ZINC000237637965 177366914 /nfs/dbraw/zinc/36/69/14/177366914.db2.gz KMUMTAGCFPKNHL-IUCAKERBSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000132935682 177368178 /nfs/dbraw/zinc/36/81/78/177368178.db2.gz OKLPOLJOSDOFNG-TUAOUCFPSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226864109 177368346 /nfs/dbraw/zinc/36/83/46/177368346.db2.gz MSNJCURMHZQZBY-KXUCPTDWSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000132917231 177368379 /nfs/dbraw/zinc/36/83/79/177368379.db2.gz TVIMEBFVRVYYOQ-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000237564830 177368527 /nfs/dbraw/zinc/36/85/27/177368527.db2.gz FKNVQCUKBXYISZ-AXFHLTTASA-N 2 0 237.347 0.337 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000358084527 177372108 /nfs/dbraw/zinc/37/21/08/177372108.db2.gz RRKHONOHMNEOPY-GRYCIOLGSA-N 2 0 237.351 0.739 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000333643048 177395005 /nfs/dbraw/zinc/39/50/05/177395005.db2.gz IPJGTAAKMIFMEB-MXWKQRLJSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333647621 177395007 /nfs/dbraw/zinc/39/50/07/177395007.db2.gz VHVIEJQGGWPCJE-VWYCJHECSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000368554912 177395333 /nfs/dbraw/zinc/39/53/33/177395333.db2.gz DSTBHJVIHHUUNT-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000193545477 177395343 /nfs/dbraw/zinc/39/53/43/177395343.db2.gz IZDNWHYIPNWILH-PWSUYJOCSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000333577352 177395368 /nfs/dbraw/zinc/39/53/68/177395368.db2.gz NDSMMBPICUFSBR-JLLWLGSASA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000333643046 177395546 /nfs/dbraw/zinc/39/55/46/177395546.db2.gz IPJGTAAKMIFMEB-GMTAPVOTSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000368006374 177395830 /nfs/dbraw/zinc/39/58/30/177395830.db2.gz MVLCDZYDGWOOPF-FBIMIBRVSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000367385744 177395882 /nfs/dbraw/zinc/39/58/82/177395882.db2.gz KZMQOZGMBASDDG-WRWGMCAJSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333647619 177395928 /nfs/dbraw/zinc/39/59/28/177395928.db2.gz VHVIEJQGGWPCJE-OUAUKWLOSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000368011586 177396222 /nfs/dbraw/zinc/39/62/22/177396222.db2.gz ZMNLRPPCSNZAJE-IJLUTSLNSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCC1CC[NH2+]CC1 ZINC000334923696 177420244 /nfs/dbraw/zinc/42/02/44/177420244.db2.gz IYPGJPVYXYYECJ-JQWIXIFHSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)CC[C@H](C)[NH3+])C1 ZINC000193170175 487640440 /nfs/dbraw/zinc/64/04/40/487640440.db2.gz OGRGYXSQANZLGD-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@@H](C)[NH+](C)C ZINC000038089336 487640832 /nfs/dbraw/zinc/64/08/32/487640832.db2.gz CQIVZOUEIXOIHA-SECBINFHSA-N 2 0 201.314 0.051 20 0 BCADRP [NH3+]CCN(Cc1ccccc1)C(=O)C[NH2+]C1CC1 ZINC000184200106 487646889 /nfs/dbraw/zinc/64/68/89/487646889.db2.gz XRDJBXZWOFORNA-UHFFFAOYSA-N 2 0 247.342 0.726 20 0 BCADRP O=C(C=Cc1c[nH]cn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000492899384 226077817 /nfs/dbraw/zinc/07/78/17/226077817.db2.gz MDJVKTXBUHCGCX-MVZIDQBPSA-N 2 0 246.314 0.730 20 0 BCADRP C[C@@H]1[C@H](C)N(C(=O)C=Cc2c[nH]cn2)CC[N@H+]1C ZINC000493364572 226195850 /nfs/dbraw/zinc/19/58/50/226195850.db2.gz GSBPOQFHDDMRME-ZJRFNNFUSA-N 2 0 248.330 0.974 20 0 BCADRP O=C(C=Cc1c[nH]cn1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000493798137 226254650 /nfs/dbraw/zinc/25/46/50/226254650.db2.gz WCRHZAQQPIFIAJ-CLUFZFBRSA-N 2 0 246.314 0.776 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCN2CCOC2=O)C1 ZINC000496649525 226310716 /nfs/dbraw/zinc/31/07/16/226310716.db2.gz KQDZVOVHEXJEOD-WDEREUQCSA-N 2 0 241.335 0.688 20 0 BCADRP COCC[C@](C)(O)CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400466960 226344388 /nfs/dbraw/zinc/34/43/88/226344388.db2.gz TXPYLUDXLFFLPZ-SRVKXCTJSA-N 2 0 230.352 0.504 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000227433620 262710725 /nfs/dbraw/zinc/71/07/25/262710725.db2.gz JXUNNJVAHQHWJQ-ZDUSSCGKSA-N 2 0 241.379 0.977 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000226047576 487653393 /nfs/dbraw/zinc/65/33/93/487653393.db2.gz FGDDRODDPRZQON-CHWSQXEVSA-N 2 0 241.379 0.127 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)CN1CCC[NH+](C)CC1 ZINC000383637285 487654189 /nfs/dbraw/zinc/65/41/89/487654189.db2.gz YOVVJYZEFYULMG-ZDUSSCGKSA-N 2 0 243.395 0.325 20 0 BCADRP C[NH2+]CCCN(C)C(=O)c1ccc(C[NH3+])o1 ZINC000087471749 487659266 /nfs/dbraw/zinc/65/92/66/487659266.db2.gz IKJARRPIWVCGQM-UHFFFAOYSA-N 2 0 225.292 0.420 20 0 BCADRP C[NH2+]CCCN(C)C(=O)CC1([NH3+])CCC1 ZINC000087471731 487659568 /nfs/dbraw/zinc/65/95/68/487659568.db2.gz AZFIWAITQMXBGN-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC000335720943 487661225 /nfs/dbraw/zinc/66/12/25/487661225.db2.gz UWOOMEXHQMZJMF-UWVGGRQHSA-N 2 0 225.336 0.644 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)C(C)(C)O ZINC000383732791 487669138 /nfs/dbraw/zinc/66/91/38/487669138.db2.gz HGOUQXSECQHFLA-NSHDSACASA-N 2 0 246.395 0.827 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]([NH3+])CC(C)C ZINC000151328500 487671770 /nfs/dbraw/zinc/67/17/70/487671770.db2.gz CXHYQWXNDGVJRL-SECBINFHSA-N 2 0 201.314 0.086 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+]C1(CO)CCCCC1 ZINC000383786601 487674162 /nfs/dbraw/zinc/67/41/62/487674162.db2.gz QEMIBADFEGIFHO-GFCCVEGCSA-N 2 0 244.379 0.584 20 0 BCADRP [NH3+]C1CCC(NC(=O)C2([NH3+])CCC2)CC1 ZINC000088050994 487696979 /nfs/dbraw/zinc/69/69/79/487696979.db2.gz GYBPUSCGLCUMRX-UHFFFAOYSA-N 2 0 211.309 0.254 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C1(C)C[NH2+]C1 ZINC000399170497 262777747 /nfs/dbraw/zinc/77/77/47/262777747.db2.gz NYXXIQLWJFSBPE-VIFPVBQESA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000399523580 262837815 /nfs/dbraw/zinc/83/78/15/262837815.db2.gz PPHLRSBWSCJMMK-UWVGGRQHSA-N 2 0 215.341 0.284 20 0 BCADRP [NH3+]CCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000178824526 487701980 /nfs/dbraw/zinc/70/19/80/487701980.db2.gz LZTZTRFDOUXCOI-LBPRGKRZSA-N 2 0 239.363 0.670 20 0 BCADRP CN(C(=O)N[C@@H]1CCC[N@H+](C)C1)C1CC([NH3+])C1 ZINC000669402959 487703806 /nfs/dbraw/zinc/70/38/06/487703806.db2.gz BZTLYTWTRKHWQF-HSOILSAZSA-N 2 0 240.351 0.212 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000669403190 487706248 /nfs/dbraw/zinc/70/62/48/487706248.db2.gz OIVNJJXMLQYDDI-GHMZBOCLSA-N 2 0 242.367 0.363 20 0 BCADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCCNC(=O)C1 ZINC000082667499 487713209 /nfs/dbraw/zinc/71/32/09/487713209.db2.gz CMOOOBWTAWNNDN-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000082667542 487715151 /nfs/dbraw/zinc/71/51/51/487715151.db2.gz UDGPZMXTKQBEOS-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H](C)[NH+](C)C ZINC000674245078 487718773 /nfs/dbraw/zinc/71/87/73/487718773.db2.gz BGLCNEOBJGSZQU-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP [NH3+]CCN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903538666 584781593 /nfs/dbraw/zinc/78/15/93/584781593.db2.gz CVMIJTIWDWDDIY-NKWVEPMBSA-N 2 0 211.231 0.157 20 0 BCADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](C)[NH3+])C1 ZINC000669406693 487726080 /nfs/dbraw/zinc/72/60/80/487726080.db2.gz UOIGGHORXWWJAX-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000154747965 487725573 /nfs/dbraw/zinc/72/55/73/487725573.db2.gz GQHCBSOFDBOUIS-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C)[NH3+])C1 ZINC000669406690 487726165 /nfs/dbraw/zinc/72/61/65/487726165.db2.gz UOIGGHORXWWJAX-GHMZBOCLSA-N 2 0 242.367 0.365 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)CC(C)(C)[NH3+] ZINC000082772560 487729950 /nfs/dbraw/zinc/72/99/50/487729950.db2.gz UPZKKTIUQFUSNN-SNVBAGLBSA-N 2 0 227.352 0.666 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000082772398 487731447 /nfs/dbraw/zinc/73/14/47/487731447.db2.gz CFMAJKZJIARGCS-SECBINFHSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H](CNC(=O)C1([NH3+])CCCC1)[N@H+](C)C1CC1 ZINC000226398894 487734473 /nfs/dbraw/zinc/73/44/73/487734473.db2.gz BJCZWBYPYKSZCO-JTQLQIEISA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000226399040 487734967 /nfs/dbraw/zinc/73/49/67/487734967.db2.gz ABJQLUIEUSCPPD-MWLCHTKSSA-N 2 0 225.336 0.337 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000250582294 487735658 /nfs/dbraw/zinc/73/56/58/487735658.db2.gz GEOQCBJKXFMHQQ-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CCn1ncnc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000088590973 487736646 /nfs/dbraw/zinc/73/66/46/487736646.db2.gz IKMBCYFIUCNKKC-UHFFFAOYSA-N 2 0 237.351 0.729 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000250635489 487737512 /nfs/dbraw/zinc/73/75/12/487737512.db2.gz SADCWKMZYUOLLO-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP COC[C@H](C)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000163538090 487743806 /nfs/dbraw/zinc/74/38/06/487743806.db2.gz RKOPQAJTDIKKOP-GFCCVEGCSA-N 2 0 229.368 0.106 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000082921474 487753375 /nfs/dbraw/zinc/75/33/75/487753375.db2.gz AKHJRAQZRBHJIS-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP CO[C@H](C[NH2+][C@@H](C)CC[NH+](C)C)[C@@H]1CCOC1 ZINC000668445002 487766592 /nfs/dbraw/zinc/76/65/92/487766592.db2.gz VEAABPVMXUIIHZ-YNEHKIRRSA-N 2 0 244.379 0.968 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000662965756 487774671 /nfs/dbraw/zinc/77/46/71/487774671.db2.gz NEPRDUFPRDXPLS-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000674286530 487777140 /nfs/dbraw/zinc/77/71/40/487777140.db2.gz ZOUBWYLGFIRDEO-TUAOUCFPSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H]1[C@H](C(=O)NCC2=CC[NH2+]CC2)CC[N@@H+]1C ZINC000648111277 487786194 /nfs/dbraw/zinc/78/61/94/487786194.db2.gz CMHSOIIRUNKQLV-ZYHUDNBSSA-N 2 0 237.347 0.363 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](C)[NH3+] ZINC000669416330 487798370 /nfs/dbraw/zinc/79/83/70/487798370.db2.gz NDGNASWTPXSMLH-UWVGGRQHSA-N 2 0 230.356 0.363 20 0 BCADRP CC(=O)NCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000394821977 487809026 /nfs/dbraw/zinc/80/90/26/487809026.db2.gz UOLDORFCXIABNG-QWRGUYRKSA-N 2 0 213.325 0.372 20 0 BCADRP CC1CC[NH+](CCN2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000676085804 487813280 /nfs/dbraw/zinc/81/32/80/487813280.db2.gz QZTLZGIILAOENB-ZIAGYGMSSA-N 2 0 237.391 0.870 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC(=O)N2)CC[N@@H+]1C ZINC000156106388 487814771 /nfs/dbraw/zinc/81/47/71/487814771.db2.gz ZHYBRKKYFWNATC-MXWKQRLJSA-N 2 0 225.336 0.337 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000234407406 487819210 /nfs/dbraw/zinc/81/92/10/487819210.db2.gz YOBJUTLXEMDLQB-WOPDTQHZSA-N 2 0 212.337 0.953 20 0 BCADRP CC[C@@]1(CO)CCC[N@H+](CCC[NH3+])C1 ZINC000414752710 487821760 /nfs/dbraw/zinc/82/17/60/487821760.db2.gz CLTNPQTUPYSHPS-LLVKDONJSA-N 2 0 200.326 0.820 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000252599362 487827969 /nfs/dbraw/zinc/82/79/69/487827969.db2.gz KRZNIQOLKGCAMM-GARJFASQSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CC1([NH3+])CCC1 ZINC000309312868 487835524 /nfs/dbraw/zinc/83/55/24/487835524.db2.gz XRNLCNWZBHVMIT-VIFPVBQESA-N 2 0 213.325 0.357 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC[N@H+](CC)C(C)C ZINC000876749784 590237480 /nfs/dbraw/zinc/23/74/80/590237480.db2.gz QOHAGVCHFYOVKP-LLVKDONJSA-N 2 0 229.368 0.831 20 0 BCADRP CC(C)[C@H](CO)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400322384 529023261 /nfs/dbraw/zinc/02/32/61/529023261.db2.gz CIAOOZOTUGTPOR-SRVKXCTJSA-N 2 0 214.353 0.981 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884363463 591915190 /nfs/dbraw/zinc/91/51/90/591915190.db2.gz CZQDQIUUSHGPCP-VGMNWLOBSA-N 2 0 213.325 0.226 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884362693 591915204 /nfs/dbraw/zinc/91/52/04/591915204.db2.gz POQGAJCJBBBHDN-DJLDLDEBSA-N 2 0 213.325 0.226 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000089747943 487851991 /nfs/dbraw/zinc/85/19/91/487851991.db2.gz OIZXCGDLWPIHQK-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CC[N@H+](CCNC(=O)C1([NH+](C)C)CC1)C1CC1 ZINC000668151532 487852621 /nfs/dbraw/zinc/85/26/21/487852621.db2.gz GTBHOBXEKXPULY-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000648122099 487860649 /nfs/dbraw/zinc/86/06/49/487860649.db2.gz JTYQOLBNQSRBOQ-NZFPMDFQSA-N 2 0 223.320 0.123 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000224902935 487868806 /nfs/dbraw/zinc/86/88/06/487868806.db2.gz RFVZFHMYSPLBAE-AXFHLTTASA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000224907615 487868881 /nfs/dbraw/zinc/86/88/81/487868881.db2.gz YHRGXKDFFOLXKL-NEPJUHHUSA-N 2 0 239.363 0.727 20 0 BCADRP CN(C)C(=O)CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000085283332 487872127 /nfs/dbraw/zinc/87/21/27/487872127.db2.gz IMXIWCNFUSDXIC-QWRGUYRKSA-N 2 0 225.336 0.006 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H](C)C[NH3+])CC[NH2+]1 ZINC000309369666 487875750 /nfs/dbraw/zinc/87/57/50/487875750.db2.gz BULCQTKRWQNNBY-VHSXEESVSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000564947597 322976886 /nfs/dbraw/zinc/97/68/86/322976886.db2.gz QVTRPQGEXNVLJW-TUAOUCFPSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H](C[NH3+])C[NH2+]Cc1ccccc1-n1cncn1 ZINC000666825489 487887219 /nfs/dbraw/zinc/88/72/19/487887219.db2.gz QHFHKFNRXGTRFW-LLVKDONJSA-N 2 0 245.330 0.952 20 0 BCADRP CC(C)(C)[C@H]([NH2+]C[C@H]1CC[NH2+]C1)C(N)=O ZINC000309493567 487888007 /nfs/dbraw/zinc/88/80/07/487888007.db2.gz JLHDIUWWZFQCGJ-DTWKUNHWSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC1([NH3+])CCCC1 ZINC000659547837 487892175 /nfs/dbraw/zinc/89/21/75/487892175.db2.gz FANAXLPKKZPQCE-BDAKNGLRSA-N 2 0 228.340 0.293 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C)[NH3+] ZINC000669451457 487896181 /nfs/dbraw/zinc/89/61/81/487896181.db2.gz HAXUPNLVWOZWKM-NXEZZACHSA-N 2 0 230.356 0.363 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000669463797 487908832 /nfs/dbraw/zinc/90/88/32/487908832.db2.gz WSBDREHIIYYCRA-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2C[C@H](F)CN2)CC[NH2+]1 ZINC000666947582 487911806 /nfs/dbraw/zinc/91/18/06/487911806.db2.gz BOWPRVCGHILERM-WYUUTHIRSA-N 2 0 229.343 0.664 20 0 BCADRP CC(C)C[C@H]([NH3+])CNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666948184 487912384 /nfs/dbraw/zinc/91/23/84/487912384.db2.gz UEBIQPFTMMYJKX-DCAQKATOSA-N 2 0 217.332 0.649 20 0 BCADRP COC[C@@H](C)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000666966093 487919759 /nfs/dbraw/zinc/91/97/59/487919759.db2.gz KPYXYSQSIVWPSS-UWVGGRQHSA-N 2 0 200.326 0.999 20 0 BCADRP COC[C@H](C)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000666966092 487919874 /nfs/dbraw/zinc/91/98/74/487919874.db2.gz KPYXYSQSIVWPSS-NXEZZACHSA-N 2 0 200.326 0.999 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000194842456 487920228 /nfs/dbraw/zinc/92/02/28/487920228.db2.gz LRDIKYWFNFYDOM-BXKDBHETSA-N 2 0 233.315 0.337 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000417283133 487922854 /nfs/dbraw/zinc/92/28/54/487922854.db2.gz CCMQTAXGPULSBK-HBNTYKKESA-N 2 0 244.383 0.752 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000194871185 487922405 /nfs/dbraw/zinc/92/24/05/487922405.db2.gz HRUKCZFDLUWMPE-JOYOIKCWSA-N 2 0 233.315 0.164 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417305221 487923555 /nfs/dbraw/zinc/92/35/55/487923555.db2.gz VULYYNUFHIMWFH-MNOVXSKESA-N 2 0 244.383 0.705 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H](C)C[NH3+] ZINC000417301497 487923716 /nfs/dbraw/zinc/92/37/16/487923716.db2.gz PSXJYLYTCZVMOP-QWRGUYRKSA-N 2 0 244.383 0.611 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396427567 487933672 /nfs/dbraw/zinc/93/36/72/487933672.db2.gz BQCVKNRGGFMWDG-UWVGGRQHSA-N 2 0 227.352 0.441 20 0 BCADRP FC1(F)C[C@]12CC[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000652364513 487934445 /nfs/dbraw/zinc/93/44/45/487934445.db2.gz WGLILBUMTNGNQK-NSHDSACASA-N 2 0 245.317 0.623 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659555621 487936410 /nfs/dbraw/zinc/93/64/10/487936410.db2.gz NFJKWINZGFIEDO-IUCAKERBSA-N 2 0 230.356 0.491 20 0 BCADRP CN(CCCC[NH+](C)C)C(=O)C[NH+](C)C ZINC000682360477 487937990 /nfs/dbraw/zinc/93/79/90/487937990.db2.gz AZISKKOEHUDVPC-UHFFFAOYSA-N 2 0 215.341 0.348 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000659556379 487939258 /nfs/dbraw/zinc/93/92/58/487939258.db2.gz RYNZYAZHFJBAQV-VGMNWLOBSA-N 2 0 216.329 0.019 20 0 BCADRP CC(C)[NH+](CCNC(=O)NC[C@H](C)[NH3+])C(C)C ZINC000668565052 487941230 /nfs/dbraw/zinc/94/12/30/487941230.db2.gz LJENVAHYSZAFOF-NSHDSACASA-N 2 0 244.383 0.752 20 0 BCADRP CC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@H]1C ZINC000677172016 487951534 /nfs/dbraw/zinc/95/15/34/487951534.db2.gz CGTNREVLCZKWIM-VXGBXAGGSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000569378233 322964976 /nfs/dbraw/zinc/96/49/76/322964976.db2.gz KZVMBZCPWSQUGQ-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])C1C[NH2+]C1 ZINC000566201597 322968481 /nfs/dbraw/zinc/96/84/81/322968481.db2.gz ADGLUANNCSIPPO-JBLDHEPKSA-N 2 0 239.363 0.476 20 0 BCADRP CN(C(=O)CCCC[NH3+])[C@@H](C[NH3+])C1CC1 ZINC000564955798 322979870 /nfs/dbraw/zinc/97/98/70/322979870.db2.gz AFGBNNFMUBTDTI-JTQLQIEISA-N 2 0 213.325 0.311 20 0 BCADRP CN(C(=O)CCCC[NH3+])[C@H](C[NH3+])C1CC1 ZINC000564955802 322979898 /nfs/dbraw/zinc/97/98/98/322979898.db2.gz AFGBNNFMUBTDTI-SNVBAGLBSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000566253062 322979965 /nfs/dbraw/zinc/97/99/65/322979965.db2.gz YGLIDZXBQLIJKX-AXFHLTTASA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H]1C[C@H](C)[N@H+](CCn2cncn2)C[C@H]1C[NH3+] ZINC000397479751 323017735 /nfs/dbraw/zinc/01/77/35/323017735.db2.gz LLDICWZQRXVMEI-GRYCIOLGSA-N 2 0 237.351 0.583 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CC[NH3+] ZINC000566853723 323019187 /nfs/dbraw/zinc/01/91/87/323019187.db2.gz RYWYSAVSDYUVJJ-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP CC[NH2+]CCCNC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000562812719 323031383 /nfs/dbraw/zinc/03/13/83/323031383.db2.gz QPFFBVFKRQXKFL-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP C[C@@H]1CN(C(=O)CC[NH2+]C2CC2)C[C@H](C)[NH2+]1 ZINC000565218709 323034086 /nfs/dbraw/zinc/03/40/86/323034086.db2.gz RVVSBQYQESXDKL-AOOOYVTPSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000569676852 323036454 /nfs/dbraw/zinc/03/64/54/323036454.db2.gz HKCNQKXAQKDQPI-FIQHERPVSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000569676855 323036533 /nfs/dbraw/zinc/03/65/33/323036533.db2.gz HKCNQKXAQKDQPI-WRWGMCAJSA-N 2 0 237.347 0.195 20 0 BCADRP C[NH2+][C@@H]1CCN(CCN2CCO[C@H](C)C2)C1 ZINC000569723619 323038715 /nfs/dbraw/zinc/03/87/15/323038715.db2.gz GACMCZWXHHHPFL-VXGBXAGGSA-N 2 0 227.352 0.001 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC000569728526 323039267 /nfs/dbraw/zinc/03/92/67/323039267.db2.gz OFTUJCYZDXTCJE-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC)[C@H](C)C1 ZINC000569738332 323039368 /nfs/dbraw/zinc/03/93/68/323039368.db2.gz AWDRMPHOTXHAPS-AGIUHOORSA-N 2 0 244.379 0.656 20 0 BCADRP C[NH2+]Cc1ccc(NC(=O)[C@H](C)[NH3+])cc1 ZINC000572603565 323039646 /nfs/dbraw/zinc/03/96/46/323039646.db2.gz LMSMEHPDUXWKLR-QMMMGPOBSA-N 2 0 207.277 0.692 20 0 BCADRP [NH3+]C1(CNC(=O)C[C@H]2CSCC[NH2+]2)CCC1 ZINC000569842644 323042593 /nfs/dbraw/zinc/04/25/93/323042593.db2.gz WYZCXBFTFQUEFG-VIFPVBQESA-N 2 0 243.376 0.079 20 0 BCADRP CN(C(=O)c1coc(C[NH3+])c1)C1CC([NH3+])C1 ZINC000569971191 323046157 /nfs/dbraw/zinc/04/61/57/323046157.db2.gz LCVCVALVNZLWKI-UHFFFAOYSA-N 2 0 223.276 0.300 20 0 BCADRP C[C@@]1(C(=O)N2CCC[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000570091253 323049605 /nfs/dbraw/zinc/04/96/05/323049605.db2.gz FRLPNUYKLITFAU-ZYHUDNBSSA-N 2 0 225.336 0.183 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+]CCn1ccnc1C ZINC000570206880 323052848 /nfs/dbraw/zinc/05/28/48/323052848.db2.gz CTDYNJRTTGPDQB-GHMZBOCLSA-N 2 0 225.292 0.195 20 0 BCADRP [NH3+][C@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000570278570 323054886 /nfs/dbraw/zinc/05/48/86/323054886.db2.gz DHHSGVXNJJXXAE-MWLCHTKSSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000570334706 323056360 /nfs/dbraw/zinc/05/63/60/323056360.db2.gz WROYSJMTZCYKNE-DMDPSCGWSA-N 2 0 249.358 0.971 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000570330261 323056450 /nfs/dbraw/zinc/05/64/50/323056450.db2.gz VAQRXCIZBWMTJR-XWLWVQCSSA-N 2 0 242.367 0.491 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)CC1(C[NH3+])CC1 ZINC000572761045 323058652 /nfs/dbraw/zinc/05/86/52/323058652.db2.gz QNANDXWQFQFJPM-SECBINFHSA-N 2 0 213.325 0.359 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC000570424832 323059284 /nfs/dbraw/zinc/05/92/84/323059284.db2.gz SRUVHBWUHTZWGV-NWDGAFQWSA-N 2 0 239.363 0.491 20 0 BCADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000570513370 323061892 /nfs/dbraw/zinc/06/18/92/323061892.db2.gz SMSKBEVKIAPMBQ-GMXVVIOVSA-N 2 0 237.347 0.102 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000570667425 323066481 /nfs/dbraw/zinc/06/64/81/323066481.db2.gz NQOJLRUOZDXSAU-HBNTYKKESA-N 2 0 242.367 0.458 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000570682073 323066925 /nfs/dbraw/zinc/06/69/25/323066925.db2.gz RKONEWQLRSFAFF-LURJTMIESA-N 2 0 223.267 0.070 20 0 BCADRP CN(CCOC[C@@H]1CCCO1)[C@H](C[NH3+])C1CC1 ZINC000570682815 323066980 /nfs/dbraw/zinc/06/69/80/323066980.db2.gz ANIOOTRJWNXPJJ-QWHCGFSZSA-N 2 0 242.363 0.851 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000570685969 323067215 /nfs/dbraw/zinc/06/72/15/323067215.db2.gz BUUFZTHEPRJPHS-ZJUUUORDSA-N 2 0 213.325 0.039 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000570685968 323067279 /nfs/dbraw/zinc/06/72/79/323067279.db2.gz BUUFZTHEPRJPHS-VHSXEESVSA-N 2 0 213.325 0.039 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000570716173 323068411 /nfs/dbraw/zinc/06/84/11/323068411.db2.gz BRQKTIJJTAKTAF-DCAQKATOSA-N 2 0 244.383 0.929 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000570716980 323068412 /nfs/dbraw/zinc/06/84/12/323068412.db2.gz ZHOWSGGPUIIKRU-LLVKDONJSA-N 2 0 221.304 0.412 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H](C)CCC[NH3+])[C@H](C)[NH3+] ZINC000570800761 323071004 /nfs/dbraw/zinc/07/10/04/323071004.db2.gz ZLYLCADFHUUQBF-VWYCJHECSA-N 2 0 229.368 0.849 20 0 BCADRP CC1(c2nc(C3([NH3+])CCCC3)no2)C[NH2+]C1 ZINC000570841275 323072343 /nfs/dbraw/zinc/07/23/43/323072343.db2.gz DWAAMBNDFWYBNQ-UHFFFAOYSA-N 2 0 222.292 0.659 20 0 BCADRP C[N@@H+]1CCC[C@H](CC[NH2+]CCC(N)=O)C1 ZINC000570921278 323074323 /nfs/dbraw/zinc/07/43/23/323074323.db2.gz UQMRMUBMQYEKAZ-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)C[NH2+]C1CC1)C(F)(F)F ZINC000562980492 323077825 /nfs/dbraw/zinc/07/78/25/323077825.db2.gz FUHPRQWJQIACDH-SSDOTTSWSA-N 2 0 239.241 0.134 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000562981445 323077929 /nfs/dbraw/zinc/07/79/29/323077929.db2.gz LYIFCZNSGCMAIH-GMTAPVOTSA-N 2 0 227.352 0.380 20 0 BCADRP C[NH+]1CCC(NC(=O)CC2(C[NH3+])CC2)CC1 ZINC000563037253 323080988 /nfs/dbraw/zinc/08/09/88/323080988.db2.gz ZHDPEPDMAFUABK-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H](CN1CCOCC1)[NH+]1CCC(C[NH3+])CC1 ZINC000516651696 323081334 /nfs/dbraw/zinc/08/13/34/323081334.db2.gz GRBNSTGFJHCBFM-LBPRGKRZSA-N 2 0 241.379 0.378 20 0 BCADRP C[C@H](CN1CCOCC1)[NH+]1CCC(C[NH3+])CC1 ZINC000516651695 323081357 /nfs/dbraw/zinc/08/13/57/323081357.db2.gz GRBNSTGFJHCBFM-GFCCVEGCSA-N 2 0 241.379 0.378 20 0 BCADRP CC[NH2+]CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000518775789 323081530 /nfs/dbraw/zinc/08/15/30/323081530.db2.gz VRPIJSJJAWHRKQ-TXEJJXNPSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000309265519 323081943 /nfs/dbraw/zinc/08/19/43/323081943.db2.gz CAQZMSANJVSYAK-UWVGGRQHSA-N 2 0 215.341 0.603 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000040490582 323089943 /nfs/dbraw/zinc/08/99/43/323089943.db2.gz XNDBNJDIBYVZHK-UTUOFQBUSA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+][C@@H](CC(=O)N1CC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000563101868 323092383 /nfs/dbraw/zinc/09/23/83/323092383.db2.gz QZOFVCXROJCQQW-QWHCGFSZSA-N 2 0 247.342 0.506 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000563108309 323092766 /nfs/dbraw/zinc/09/27/66/323092766.db2.gz NXGIGUHUXPGAON-HBNTYKKESA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000563108935 323092921 /nfs/dbraw/zinc/09/29/21/323092921.db2.gz QZBPYAQKJKSJEG-SKDRFNHKSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000563109725 323092939 /nfs/dbraw/zinc/09/29/39/323092939.db2.gz KXGGNGCBFNLNNE-KOLCDFICSA-N 2 0 221.304 0.192 20 0 BCADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000563117742 323093557 /nfs/dbraw/zinc/09/35/57/323093557.db2.gz VGQNZMVHMAIEFA-KMLBCRHOSA-N 2 0 245.326 0.654 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000563118707 323093754 /nfs/dbraw/zinc/09/37/54/323093754.db2.gz BGLDYKDQZVEBOH-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000563119134 323093901 /nfs/dbraw/zinc/09/39/01/323093901.db2.gz LEXPSAZYQZWAIX-YPMHNXCESA-N 2 0 247.342 0.727 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@H](C)CCC[NH3+] ZINC000563118725 323093921 /nfs/dbraw/zinc/09/39/21/323093921.db2.gz BWBRCNPAYNAPOG-IWSPIJDZSA-N 2 0 201.314 0.213 20 0 BCADRP C[N@H+](CC(=O)N1CC[NH2+]CC1)CC1(C)CC1 ZINC000563129676 323094280 /nfs/dbraw/zinc/09/42/80/323094280.db2.gz KVGCSWCIHNVDIB-UHFFFAOYSA-N 2 0 225.336 0.150 20 0 BCADRP C[C@@H]1C[C@H](CN2CCO[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000563136747 323094858 /nfs/dbraw/zinc/09/48/58/323094858.db2.gz UDLGWLOZIXGHIR-UTUOFQBUSA-N 3 0 227.352 0.034 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000567891961 323097191 /nfs/dbraw/zinc/09/71/91/323097191.db2.gz ASOISRZRRGSHEF-QJPTWQEYSA-N 3 0 211.353 0.655 20 0 BCADRP [NH3+]CCCC(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000563160556 323097456 /nfs/dbraw/zinc/09/74/56/323097456.db2.gz KNPWGBOKPGLCGP-JTQLQIEISA-N 2 0 211.309 0.078 20 0 BCADRP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000563162143 323097926 /nfs/dbraw/zinc/09/79/26/323097926.db2.gz IMFSEFIPDCDYAG-FMCLSXCISA-N 2 0 249.358 0.196 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C)C1(C[NH3+])CCC1 ZINC000563163316 323098470 /nfs/dbraw/zinc/09/84/70/323098470.db2.gz TUMQPQGVCOANSZ-VIFPVBQESA-N 2 0 213.325 0.454 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)cc1 ZINC000563166176 323099455 /nfs/dbraw/zinc/09/94/55/323099455.db2.gz LGYSCEHPWITWDH-OCCSQVGLSA-N 2 0 245.326 0.514 20 0 BCADRP C[NH+](C)CCN(C(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000570959670 323101673 /nfs/dbraw/zinc/10/16/73/323101673.db2.gz CYBDRQHRIIYOMC-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP c1ncn(CC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000563215643 323102928 /nfs/dbraw/zinc/10/29/28/323102928.db2.gz ULMQLZZQIWXMRY-OLZOCXBDSA-N 2 0 249.362 0.600 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)C[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000571037695 323104368 /nfs/dbraw/zinc/10/43/68/323104368.db2.gz IBZIGLVKOBLUHH-GMTAPVOTSA-N 2 0 239.363 0.570 20 0 BCADRP CCN(C)C(=O)CC[NH+]1CCC(CC[NH3+])CC1 ZINC000563275560 323107501 /nfs/dbraw/zinc/10/75/01/323107501.db2.gz NLXSBWFZRFPFKJ-UHFFFAOYSA-N 2 0 241.379 0.916 20 0 BCADRP C[NH2+]CCC(=O)N1CCC(CC[NH3+])CC1 ZINC000563337883 323119136 /nfs/dbraw/zinc/11/91/36/323119136.db2.gz FLAKQUQBQLUSSQ-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP CC[N@H+](C[C@H](O)CN(C)CCOC)C1CCC1 ZINC000563351059 323120017 /nfs/dbraw/zinc/12/00/17/323120017.db2.gz VLNRILXGXCBEDM-CYBMUJFWSA-N 2 0 244.379 0.800 20 0 BCADRP COc1ccnc(CN[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000563422678 323124341 /nfs/dbraw/zinc/12/43/41/323124341.db2.gz ACTAOVWJUMFKJZ-VHSXEESVSA-N 2 0 236.319 0.845 20 0 BCADRP [NH3+]C[C@@H](NC(=O)CC[NH2+]C1CC1)C1CCCC1 ZINC000563410981 323124515 /nfs/dbraw/zinc/12/45/15/323124515.db2.gz SZNOLYXFVHJOFV-GFCCVEGCSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000563412355 323124793 /nfs/dbraw/zinc/12/47/93/323124793.db2.gz QGORHMDPAQGKIX-DCAQKATOSA-N 2 0 227.352 0.476 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000563589019 323130674 /nfs/dbraw/zinc/13/06/74/323130674.db2.gz YNQJMPZTMXSUSR-VHSXEESVSA-N 2 0 213.325 0.372 20 0 BCADRP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000563635614 323133209 /nfs/dbraw/zinc/13/32/09/323133209.db2.gz LBZWURHMUADQFJ-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000563635631 323133212 /nfs/dbraw/zinc/13/32/12/323133212.db2.gz LBZWURHMUADQFJ-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](CC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@H]1CCC[NH2+]C1 ZINC000571084043 323134705 /nfs/dbraw/zinc/13/47/05/323134705.db2.gz ZNAHQKSSPRTDMG-RHYQMDGZSA-N 2 0 241.379 0.864 20 0 BCADRP COC[C@H](C)C[NH2+]CCCN1CC[NH2+]CC1 ZINC000571265772 323139367 /nfs/dbraw/zinc/13/93/67/323139367.db2.gz QGTRLUXQZDZPHT-GFCCVEGCSA-N 2 0 229.368 0.154 20 0 BCADRP C[C@@H]([NH3+])CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000251136037 323140529 /nfs/dbraw/zinc/14/05/29/323140529.db2.gz VIWAFOMDUAICHC-NEPJUHHUSA-N 2 0 211.353 0.894 20 0 BCADRP CC[NH2+]CCCNC(=O)NC[C@H](C)[NH+](C)C ZINC000571303772 323140929 /nfs/dbraw/zinc/14/09/29/323140929.db2.gz SRVYGXGYVKWRLB-JTQLQIEISA-N 2 0 230.356 0.235 20 0 BCADRP NCc1noc(CCCCN2CCOCC2)n1 ZINC000571324962 323141426 /nfs/dbraw/zinc/14/14/26/323141426.db2.gz JQXWGSGCFDHSDR-UHFFFAOYSA-N 2 0 240.307 0.183 20 0 BCADRP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000571539640 323147692 /nfs/dbraw/zinc/14/76/92/323147692.db2.gz ZAYKYKOXNKMLGY-UTUOFQBUSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000571558350 323147991 /nfs/dbraw/zinc/14/79/91/323147991.db2.gz VYRIHFRNEKPDCW-XWLWVQCSSA-N 2 0 242.367 0.491 20 0 BCADRP CC/C=C/C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000563881280 323182884 /nfs/dbraw/zinc/18/28/84/323182884.db2.gz FJAPNMHWNHJOJH-MUBLQREKSA-N 2 0 241.379 0.151 20 0 BCADRP CC(C)OC(=O)CCN(C)[C@H]1CC[NH2+]C1 ZINC000563887741 323183254 /nfs/dbraw/zinc/18/32/54/323183254.db2.gz PLZPARLQRHJMJH-JTQLQIEISA-N 2 0 214.309 0.622 20 0 BCADRP COC(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000308984115 323183446 /nfs/dbraw/zinc/18/34/46/323183446.db2.gz GAOBHQADWPXZIJ-UWVGGRQHSA-N 2 0 212.293 0.091 20 0 BCADRP CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000070266500 323184481 /nfs/dbraw/zinc/18/44/81/323184481.db2.gz BCQUAPZHHHGNNN-UHFFFAOYSA-N 2 0 229.368 0.738 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000399238198 323201290 /nfs/dbraw/zinc/20/12/90/323201290.db2.gz SHNIXUCYNYNAKO-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC([NH2+]C)CC1 ZINC000519598900 323203672 /nfs/dbraw/zinc/20/36/72/323203672.db2.gz JELRWFIYUFEGCZ-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000104533135 323275584 /nfs/dbraw/zinc/27/55/84/323275584.db2.gz IVABTLGVBZTLET-LBPRGKRZSA-N 2 0 243.395 0.984 20 0 BCADRP C[C@H]1C[C@H](NC(=O)CC(F)(F)CN)CC[N@@H+]1C ZINC000563968687 323335061 /nfs/dbraw/zinc/33/50/61/323335061.db2.gz NLUBNVULLMMQND-DTWKUNHWSA-N 2 0 249.305 0.569 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000309380097 323349952 /nfs/dbraw/zinc/34/99/52/323349952.db2.gz DEMLMQYXKWDBSG-NXEZZACHSA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000309410491 323382014 /nfs/dbraw/zinc/38/20/14/323382014.db2.gz IMYCLQIYMXLACE-AEJSXWLSSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000309515505 323421865 /nfs/dbraw/zinc/42/18/65/323421865.db2.gz YMRZONWTFFTBPV-ZJUUUORDSA-N 2 0 213.325 0.038 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCC[NH3+] ZINC000309496306 323417704 /nfs/dbraw/zinc/41/77/04/323417704.db2.gz TZZXIDDNAVQPRT-UWVGGRQHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@]1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCC(=O)N1 ZINC000571820416 323487103 /nfs/dbraw/zinc/48/71/03/323487103.db2.gz CJKNGIIIBYPJQE-JFGNBEQYSA-N 2 0 225.336 0.515 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000572015987 323517632 /nfs/dbraw/zinc/51/76/32/323517632.db2.gz ZMGUZDNKYVMBDQ-MNOVXSKESA-N 2 0 242.367 0.494 20 0 BCADRP CC1(CNC(=O)[C@@H]([NH3+])CC(F)F)CC[NH2+]CC1 ZINC000572000139 323520442 /nfs/dbraw/zinc/52/04/42/323520442.db2.gz NLYUKBFKBYEETH-QMMMGPOBSA-N 2 0 249.305 0.475 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000572122231 323543448 /nfs/dbraw/zinc/54/34/48/323543448.db2.gz WKRGGXWKJYIHDQ-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000572240367 323577530 /nfs/dbraw/zinc/57/75/30/323577530.db2.gz DOWBVVPLUNFELD-CMPLNLGQSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000572347484 323604018 /nfs/dbraw/zinc/60/40/18/323604018.db2.gz YHHKVNSQSBMMFC-GHMZBOCLSA-N 2 0 227.352 0.762 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000309804523 323606647 /nfs/dbraw/zinc/60/66/47/323606647.db2.gz RUKKJLWVHLJOEV-UTLUCORTSA-N 2 0 213.325 0.228 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)CCC[NH+](C)C ZINC000537214679 324038376 /nfs/dbraw/zinc/03/83/76/324038376.db2.gz QMXYUEQWIPGYFB-UHFFFAOYSA-N 2 0 229.368 0.738 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000131848110 324081843 /nfs/dbraw/zinc/08/18/43/324081843.db2.gz UBBOJDAZXFOGOS-MXWKQRLJSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000520810194 324110046 /nfs/dbraw/zinc/11/00/46/324110046.db2.gz IRCACJHNFSAVCL-HBNTYKKESA-N 2 0 227.352 0.748 20 0 BCADRP COCCOCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397338432 324213018 /nfs/dbraw/zinc/21/30/18/324213018.db2.gz ZEDIGUHTEZIZBC-AGIUHOORSA-N 2 0 244.379 0.955 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000124305754 324613558 /nfs/dbraw/zinc/61/35/58/324613558.db2.gz WLTYLKIQFYCTJX-UTLUCORTSA-N 2 0 213.325 0.228 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000083913539 487965516 /nfs/dbraw/zinc/96/55/16/487965516.db2.gz YIDIZSUUUFLUHJ-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CC[NH3+])C1 ZINC000083913561 487966404 /nfs/dbraw/zinc/96/64/04/487966404.db2.gz JZDPZKJPDOPVNZ-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)C1CC1 ZINC000130504563 325058656 /nfs/dbraw/zinc/05/86/56/325058656.db2.gz RNTPTKOUKIQSTG-PWSUYJOCSA-N 2 0 239.363 0.442 20 0 BCADRP CC[NH2+]CC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000071196431 325060088 /nfs/dbraw/zinc/06/00/88/325060088.db2.gz CVSZWIVCDJXECL-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000131924137 325190963 /nfs/dbraw/zinc/19/09/63/325190963.db2.gz LNDHMYNZXRPDNJ-GMTAPVOTSA-N 2 0 225.336 0.372 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000564327714 325382852 /nfs/dbraw/zinc/38/28/52/325382852.db2.gz AMNSGPKHYBJIMQ-ZJUUUORDSA-N 2 0 247.408 0.701 20 0 BCADRP CC[NH2+]CCCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000564328714 325386806 /nfs/dbraw/zinc/38/68/06/325386806.db2.gz QQIAEYCQRDZBRK-SNVBAGLBSA-N 2 0 245.392 0.197 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000564331973 325402517 /nfs/dbraw/zinc/40/25/17/325402517.db2.gz NFQHAIROPPROEV-AXFHLTTASA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000564726822 325805103 /nfs/dbraw/zinc/80/51/03/325805103.db2.gz MEENZVGEOJNJCX-WHOHXGKFSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000564836116 325814099 /nfs/dbraw/zinc/81/40/99/325814099.db2.gz DOKXOOILKCUZBD-KOLCDFICSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000564929172 325827111 /nfs/dbraw/zinc/82/71/11/325827111.db2.gz IJTVEFWFNXSSFG-SNVBAGLBSA-N 2 0 227.352 0.490 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000564947684 325831741 /nfs/dbraw/zinc/83/17/41/325831741.db2.gz TVBDGVWIZOZVNU-GFCCVEGCSA-N 2 0 247.342 0.956 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000564956686 325832500 /nfs/dbraw/zinc/83/25/00/325832500.db2.gz UPZPXODAQBNNJB-HBNTYKKESA-N 2 0 239.363 0.489 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000564956538 325833766 /nfs/dbraw/zinc/83/37/66/325833766.db2.gz NEKDBBJSGRSCAN-MNOVXSKESA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000565003543 325845037 /nfs/dbraw/zinc/84/50/37/325845037.db2.gz KSWWKHPHCJCPRY-RBXMUDONSA-N 2 0 201.314 0.212 20 0 BCADRP C[NH2+]Cc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000565362885 325901222 /nfs/dbraw/zinc/90/12/22/325901222.db2.gz REWQCIJJRSOILC-UHFFFAOYSA-N 2 0 218.260 0.915 20 0 BCADRP CN(C(=O)C[NH2+]C1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000565479926 325917062 /nfs/dbraw/zinc/91/70/62/325917062.db2.gz CVBQKOWKRTVFJC-FOSCPWQOSA-N 2 0 237.347 0.480 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000565597570 325932404 /nfs/dbraw/zinc/93/24/04/325932404.db2.gz RILBGXUKPISOTH-QWRGUYRKSA-N 2 0 241.379 0.959 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000565714292 325947316 /nfs/dbraw/zinc/94/73/16/325947316.db2.gz ICHNIEPDBIGHRD-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH3+] ZINC000566195158 326010844 /nfs/dbraw/zinc/01/08/44/326010844.db2.gz BLXNXWXBPCRUME-SNVBAGLBSA-N 2 0 213.325 0.324 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000566197545 326011361 /nfs/dbraw/zinc/01/13/61/326011361.db2.gz ICHNIEPDBIGHRD-UWVGGRQHSA-N 2 0 213.325 0.134 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000566201461 326012093 /nfs/dbraw/zinc/01/20/93/326012093.db2.gz BYIKXSIPRLOARV-UHFFFAOYSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000566203301 326012338 /nfs/dbraw/zinc/01/23/38/326012338.db2.gz FCXDUQOEGNENBG-SNVBAGLBSA-N 2 0 225.336 0.102 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCCCC[NH3+] ZINC000566207149 326013257 /nfs/dbraw/zinc/01/32/57/326013257.db2.gz YYDVRMRMQKQEBC-VIFPVBQESA-N 2 0 201.314 0.230 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000566210068 326013864 /nfs/dbraw/zinc/01/38/64/326013864.db2.gz YJJFZUUKVZKNLR-ZRUFSTJUSA-N 2 0 225.336 0.241 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000566207626 326013880 /nfs/dbraw/zinc/01/38/80/326013880.db2.gz FHSKYVFKPNVNPY-GUBZILKMSA-N 2 0 245.392 0.263 20 0 BCADRP CN(C(=O)CC[C@H]1CC[NH2+]C1)[C@@H](C[NH3+])C1CC1 ZINC000566212885 326014356 /nfs/dbraw/zinc/01/43/56/326014356.db2.gz ICVSQUOLUDEPIX-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000566215136 326015873 /nfs/dbraw/zinc/01/58/73/326015873.db2.gz WEOUACCDWKJDLS-HRDYMLBCSA-N 2 0 201.314 0.226 20 0 BCADRP C[C@@H]([NH3+])CN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566245387 326022868 /nfs/dbraw/zinc/02/28/68/326022868.db2.gz PBSIOPVWNFCFTI-GHMZBOCLSA-N 2 0 227.352 0.021 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000566248954 326024251 /nfs/dbraw/zinc/02/42/51/326024251.db2.gz MMJZIRYQLNZIOJ-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@]1(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC[NH2+]1 ZINC000566252271 326024660 /nfs/dbraw/zinc/02/46/60/326024660.db2.gz VNGAFSRCYQQOOA-NTZNESFSSA-N 2 0 237.347 0.196 20 0 BCADRP O=C([C@H]1CCCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000566252112 326024900 /nfs/dbraw/zinc/02/49/00/326024900.db2.gz GQHVVPSWWVCJHG-GRYCIOLGSA-N 2 0 237.347 0.196 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000566442907 326048386 /nfs/dbraw/zinc/04/83/86/326048386.db2.gz VQUMUKLIZDTRIY-NSHDSACASA-N 2 0 227.352 0.395 20 0 BCADRP C[C@H]1CC[N@H+](CC(=O)N2CCn3cncc3C2)C1 ZINC000566452824 326050115 /nfs/dbraw/zinc/05/01/15/326050115.db2.gz PZVGQKKPNDBLKX-NSHDSACASA-N 2 0 248.330 0.567 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566471368 326052536 /nfs/dbraw/zinc/05/25/36/326052536.db2.gz UQURENSWUQOONG-CMPLNLGQSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000566551355 326063104 /nfs/dbraw/zinc/06/31/04/326063104.db2.gz SDTXZBDBVUIIOO-TUAOUCFPSA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+]CC(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000566796731 326083907 /nfs/dbraw/zinc/08/39/07/326083907.db2.gz GEZOBRULWKFSCE-UHFFFAOYSA-N 2 0 240.332 0.507 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)C2([NH3+])CCC2)CC1 ZINC000566972771 326098367 /nfs/dbraw/zinc/09/83/67/326098367.db2.gz YMRSUYRLWDOLBG-XYPYZODXSA-N 2 0 239.363 0.749 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404880395 326102078 /nfs/dbraw/zinc/10/20/78/326102078.db2.gz JDESXNBBZXPWAF-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000567109049 326117530 /nfs/dbraw/zinc/11/75/30/326117530.db2.gz PPSOBDHFHZPZFA-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)CCC1CC[NH2+]CC1 ZINC000154525822 326148940 /nfs/dbraw/zinc/14/89/40/326148940.db2.gz NVAIXQKYVYUEJM-LLVKDONJSA-N 2 0 241.379 0.738 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000567267323 326153550 /nfs/dbraw/zinc/15/35/50/326153550.db2.gz ZVWZLMNJXMNBPC-IVZWLZJFSA-N 2 0 230.356 0.267 20 0 BCADRP C[NH2+]CCC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000567353618 326172473 /nfs/dbraw/zinc/17/24/73/326172473.db2.gz BKERZOAJIMCYPC-CYBMUJFWSA-N 2 0 247.342 0.681 20 0 BCADRP CC[C@H](C(=O)NCC(C)(C)[NH+](C)C)[NH+](C)C ZINC000155005123 326178638 /nfs/dbraw/zinc/17/86/38/326178638.db2.gz SSHNFPNRUDEHON-SNVBAGLBSA-N 2 0 229.368 0.783 20 0 BCADRP CSC[C@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000567378086 326178984 /nfs/dbraw/zinc/17/89/84/326178984.db2.gz OPDXFIPZHYGSTJ-VHSXEESVSA-N 2 0 220.382 0.640 20 0 BCADRP COC[C@@H](C)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000310250755 326188008 /nfs/dbraw/zinc/18/80/08/326188008.db2.gz NZJXIZZAWVUTME-QWHCGFSZSA-N 2 0 241.379 0.248 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000567454901 326196066 /nfs/dbraw/zinc/19/60/66/326196066.db2.gz BRQHXYBWPXXXSO-NSHDSACASA-N 2 0 242.367 0.426 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H](C)CCC[NH3+] ZINC000567470235 326199246 /nfs/dbraw/zinc/19/92/46/326199246.db2.gz WARLYKWMVXMERU-SECBINFHSA-N 2 0 201.314 0.230 20 0 BCADRP [NH3+][C@H](CNC(=O)CCC1CC[NH2+]CC1)C1CC1 ZINC000156090664 326218668 /nfs/dbraw/zinc/21/86/68/326218668.db2.gz SMDIVXJEOPCLFI-GFCCVEGCSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000567587109 326223392 /nfs/dbraw/zinc/22/33/92/326223392.db2.gz ZZCCYKIZDGSPMU-RHYQMDGZSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC000567587106 326223623 /nfs/dbraw/zinc/22/36/23/326223623.db2.gz ZZCCYKIZDGSPMU-BJDJZHNGSA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000567611836 326229085 /nfs/dbraw/zinc/22/90/85/326229085.db2.gz ONVMZXNXJQZGCF-VXGBXAGGSA-N 2 0 237.347 0.410 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000567673229 326242712 /nfs/dbraw/zinc/24/27/12/326242712.db2.gz HVZWPIKUBGHEHQ-BDAKNGLRSA-N 2 0 211.309 0.111 20 0 BCADRP CC(C)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000567679950 326243861 /nfs/dbraw/zinc/24/38/61/326243861.db2.gz KBPPCZMVJQLWGH-ZDUSSCGKSA-N 2 0 243.395 0.230 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000567715072 326250344 /nfs/dbraw/zinc/25/03/44/326250344.db2.gz JJFDHEZJMJFNGH-AXFHLTTASA-N 2 0 225.336 0.195 20 0 BCADRP [NH3+]C[C@H]1CN(CCCc2ccncc2)CCO1 ZINC000567736000 326253197 /nfs/dbraw/zinc/25/31/97/326253197.db2.gz ZCIXJTNNDQZPDN-ZDUSSCGKSA-N 2 0 235.331 0.674 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000567813504 326261871 /nfs/dbraw/zinc/26/18/71/326261871.db2.gz FFAHTYCPGVKETN-SRVKXCTJSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000567834572 326266317 /nfs/dbraw/zinc/26/63/17/326266317.db2.gz CRNBBQLNKQYPKO-UHFFFAOYSA-N 2 0 218.260 0.284 20 0 BCADRP C[C@]1(C(=O)N2CCC3(CC[NH2+]3)CC2)CC[NH2+]C1 ZINC000567842618 326268325 /nfs/dbraw/zinc/26/83/25/326268325.db2.gz UVKYTDPQJCHGBM-LBPRGKRZSA-N 2 0 237.347 0.341 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000567846684 326268903 /nfs/dbraw/zinc/26/89/03/326268903.db2.gz MFABFHBOLOQVCA-VWYCJHECSA-N 2 0 227.352 0.557 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)C(F)F ZINC000567845264 326268889 /nfs/dbraw/zinc/26/88/89/326268889.db2.gz QNJZJZRODZDPQY-HTQZYQBOSA-N 2 0 235.278 0.085 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000567847625 326269301 /nfs/dbraw/zinc/26/93/01/326269301.db2.gz UKLSOGOENMLFTE-XKNYDFJKSA-N 2 0 213.325 0.213 20 0 BCADRP C[NH2+]C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000567893090 326277911 /nfs/dbraw/zinc/27/79/11/326277911.db2.gz VLURURQHNIKCHJ-LLVKDONJSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)CC1CC[NH2+]CC1 ZINC000567925868 326283893 /nfs/dbraw/zinc/28/38/93/326283893.db2.gz WQNQGUPJTZCJRX-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](C(C)C)C1 ZINC000568050857 326300750 /nfs/dbraw/zinc/30/07/50/326300750.db2.gz JTCFBRMOEVCEHP-NWDGAFQWSA-N 2 0 214.353 0.935 20 0 BCADRP CC[N@H+](CCNC(=O)N(C)CCC[NH3+])C(C)C ZINC000568057940 326301587 /nfs/dbraw/zinc/30/15/87/326301587.db2.gz GBYUKWQBFGJDDY-UHFFFAOYSA-N 2 0 244.383 0.707 20 0 BCADRP [NH3+][C@@H](CC(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000163273291 326310259 /nfs/dbraw/zinc/31/02/59/326310259.db2.gz HMUKTTAFJGKXSQ-RYUDHWBXSA-N 2 0 233.315 0.555 20 0 BCADRP C[NH2+]CCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000163275051 326311390 /nfs/dbraw/zinc/31/13/90/326311390.db2.gz QZDRNUOGSFKSML-NSHDSACASA-N 2 0 221.304 0.412 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000568150582 326312462 /nfs/dbraw/zinc/31/24/62/326312462.db2.gz NCJLOUNYPYNIBA-ZBOXLXRLSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C[NH+](C)C ZINC000568211877 326327230 /nfs/dbraw/zinc/32/72/30/326327230.db2.gz MBPNFQRNTNFSAN-ZJUUUORDSA-N 2 0 238.335 0.655 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](CO)[C@H]2CCOC2)C1 ZINC000568248188 326334221 /nfs/dbraw/zinc/33/42/21/326334221.db2.gz JVNVFZWPBSUTCC-LOWDOPEQSA-N 2 0 242.363 0.491 20 0 BCADRP C[N@@H+]1CCC[C@H](CCNC2=[NH+]CCCN2)C1 ZINC000568256302 326335885 /nfs/dbraw/zinc/33/58/85/326335885.db2.gz LSRPGGHVVCFSKR-LLVKDONJSA-N 2 0 224.352 0.657 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC(C)(C)CC[NH3+] ZINC000568271940 326338805 /nfs/dbraw/zinc/33/88/05/326338805.db2.gz KKFSISFRZXGZMU-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)C2([NH3+])CCC2)C1 ZINC000568275508 326339576 /nfs/dbraw/zinc/33/95/76/326339576.db2.gz YKNGXDSWSSDRDU-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000568381412 326351461 /nfs/dbraw/zinc/35/14/61/326351461.db2.gz JQXZRJDUXPJRGX-QWHCGFSZSA-N 2 0 243.395 0.731 20 0 BCADRP [NH3+][C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000568407109 326354754 /nfs/dbraw/zinc/35/47/54/326354754.db2.gz PPAWZSTZAFJLOZ-GRYCIOLGSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000568509199 326360882 /nfs/dbraw/zinc/36/08/82/326360882.db2.gz CAVPUSCEHXYWIW-VWYCJHECSA-N 2 0 225.336 0.372 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000568509288 326361070 /nfs/dbraw/zinc/36/10/70/326361070.db2.gz KADYUPNMUFBRLU-NTZNESFSSA-N 2 0 237.347 0.102 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000568510539 326361438 /nfs/dbraw/zinc/36/14/38/326361438.db2.gz RAPBUKBDJMABEU-FOGDFJRCSA-N 2 0 225.336 0.230 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C[C@@H](O)C[NH+](C)CC ZINC000568527089 326363250 /nfs/dbraw/zinc/36/32/50/326363250.db2.gz KWAVDRFAYPRMIK-OLZOCXBDSA-N 2 0 243.395 0.325 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@@H](C)C1=CC[N@H+](C)CC1 ZINC000568621817 326368170 /nfs/dbraw/zinc/36/81/70/326368170.db2.gz LBSIISGNQQVREC-WCQYABFASA-N 2 0 242.363 0.624 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)c1coc(C[NH3+])c1 ZINC000568629666 326368876 /nfs/dbraw/zinc/36/88/76/326368876.db2.gz MTFMHTTZAJPIFI-LBPRGKRZSA-N 2 0 239.319 0.842 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000568738228 326374081 /nfs/dbraw/zinc/37/40/81/326374081.db2.gz ZJRJDWJEOPUNIE-CYZMBNFOSA-N 2 0 247.342 0.801 20 0 BCADRP C[NH2+]CCSCC(=O)NCCC[NH+](C)C ZINC000568878408 326380655 /nfs/dbraw/zinc/38/06/55/326380655.db2.gz RQBJFQKDYMXKQB-UHFFFAOYSA-N 2 0 233.381 0.007 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000568884499 326381335 /nfs/dbraw/zinc/38/13/35/326381335.db2.gz FTXDXTNSCQHAGN-DTORHVGOSA-N 2 0 213.325 0.357 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000568901343 326382052 /nfs/dbraw/zinc/38/20/52/326382052.db2.gz UHUYTHFMHAQUFG-QWRGUYRKSA-N 2 0 237.347 0.196 20 0 BCADRP COC[C@H](O)C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000568975949 326384227 /nfs/dbraw/zinc/38/42/27/326384227.db2.gz MUCIAFAOESZWBV-QWHCGFSZSA-N 2 0 244.379 0.705 20 0 BCADRP NC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000569018977 326387082 /nfs/dbraw/zinc/38/70/82/326387082.db2.gz GEKXPOKNOKETRA-QWRGUYRKSA-N 2 0 248.330 0.540 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569117293 326391418 /nfs/dbraw/zinc/39/14/18/326391418.db2.gz FFAHTYCPGVKETN-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)CC1 ZINC000569118136 326391464 /nfs/dbraw/zinc/39/14/64/326391464.db2.gz WTFNPDAUEQQEHQ-SECBINFHSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1c[nH+]ccc1N ZINC000569223339 326395898 /nfs/dbraw/zinc/39/58/98/326395898.db2.gz ZVGWPROZWLONRY-RKDXNWHRSA-N 2 0 234.303 0.303 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1c[nH+]ccc1N ZINC000569223338 326395913 /nfs/dbraw/zinc/39/59/13/326395913.db2.gz ZVGWPROZWLONRY-IUCAKERBSA-N 2 0 234.303 0.303 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000572750384 326408740 /nfs/dbraw/zinc/40/87/40/326408740.db2.gz PCVWGTZOCMZCKV-NHCYSSNCSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC(C)(C)C[NH3+] ZINC000572759352 326409316 /nfs/dbraw/zinc/40/93/16/326409316.db2.gz ATJUVDQIOQNZIM-HTQZYQBOSA-N 2 0 216.329 0.149 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000572841436 326414114 /nfs/dbraw/zinc/41/41/14/326414114.db2.gz VNSJYYVUXIKVJS-JTQLQIEISA-N 2 0 227.352 0.490 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000572856597 326415524 /nfs/dbraw/zinc/41/55/24/326415524.db2.gz FAYIDMUQTUOODC-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000572876665 326416451 /nfs/dbraw/zinc/41/64/51/326416451.db2.gz RJEZYMBEUTWLPT-JTQLQIEISA-N 2 0 221.304 0.540 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000572878461 326416454 /nfs/dbraw/zinc/41/64/54/326416454.db2.gz HYFSWRNLDRRLMC-NTZNESFSSA-N 2 0 239.363 0.620 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000572877520 326416592 /nfs/dbraw/zinc/41/65/92/326416592.db2.gz GBOPGJZWPRLBAG-MNOVXSKESA-N 2 0 227.352 0.300 20 0 BCADRP C[C@H](NC(=O)[C@H]([NH3+])C1CCC1)[C@H]1CCC[NH2+]C1 ZINC000572959582 326421021 /nfs/dbraw/zinc/42/10/21/326421021.db2.gz YBBRWMBNBNXBML-ZMLRMANQSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH2+]CC1(C)C ZINC000309475682 487973418 /nfs/dbraw/zinc/97/34/18/487973418.db2.gz RYDMMXMHDIEZHZ-IUCAKERBSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H](C(=O)NC1CCC([NH3+])CC1)[C@H](C)[NH3+] ZINC000165414871 487979090 /nfs/dbraw/zinc/97/90/90/487979090.db2.gz RGQCVUXESVUJPX-XHHQTKHESA-N 2 0 213.325 0.356 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000446402788 487980290 /nfs/dbraw/zinc/98/02/90/487980290.db2.gz NGVPZNSMJYFIFJ-IVZWLZJFSA-N 2 0 227.352 0.746 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000446402423 487980297 /nfs/dbraw/zinc/98/02/97/487980297.db2.gz IRTHFPABXJBEPM-KKOKHZNYSA-N 2 0 239.363 0.890 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418202270 487982534 /nfs/dbraw/zinc/98/25/34/487982534.db2.gz IUKVZHZPACLANT-DCAQKATOSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[NH+](C)C ZINC000154132365 487990631 /nfs/dbraw/zinc/99/06/31/487990631.db2.gz UIURYZPBPUXVLX-AEJSXWLSSA-N 2 0 213.325 0.145 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H](C)[NH+](C)C ZINC000682569429 487990801 /nfs/dbraw/zinc/99/08/01/487990801.db2.gz FUTHMGYGOWNQFI-NSHDSACASA-N 2 0 229.368 0.737 20 0 BCADRP C[C@H]1CCCC[C@H]1NC(=O)CN(C)CCC[NH3+] ZINC000123350072 487993668 /nfs/dbraw/zinc/99/36/68/487993668.db2.gz IDTYZWSXERUDPO-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP COc1c(N)ncnc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000134866519 488002872 /nfs/dbraw/zinc/00/28/72/488002872.db2.gz HUFVFYDARYJDPP-QMMMGPOBSA-N 2 0 249.318 0.716 20 0 BCADRP C[C@]1(C(N)=O)CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000396746125 488003002 /nfs/dbraw/zinc/00/30/02/488003002.db2.gz YTGLBORCILZGCI-PWSUYJOCSA-N 2 0 225.336 0.183 20 0 BCADRP CC(C)OCC[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000682615954 488003076 /nfs/dbraw/zinc/00/30/76/488003076.db2.gz XMNSCZQQEAJPEE-UPJWGTAASA-N 2 0 242.363 0.314 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000309632008 488003218 /nfs/dbraw/zinc/00/32/18/488003218.db2.gz KVUGBTWLHNGOJZ-JTQLQIEISA-N 2 0 213.325 0.244 20 0 BCADRP CC[C@@H](O)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000229963148 488015084 /nfs/dbraw/zinc/01/50/84/488015084.db2.gz PMLPREZNXTZJHF-MXWKQRLJSA-N 2 0 200.326 0.864 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)CO ZINC000643475012 488016099 /nfs/dbraw/zinc/01/60/99/488016099.db2.gz OGUSNISNYOGNDR-MNOVXSKESA-N 2 0 214.353 0.983 20 0 BCADRP CC[C@@H]1C[N@H+](CCOCCOC)CC[C@@H]1[NH3+] ZINC000147480331 488027795 /nfs/dbraw/zinc/02/77/95/488027795.db2.gz CZZGAKYLIZBVCY-NEPJUHHUSA-N 2 0 230.352 0.709 20 0 BCADRP CC[NH+]1CCC(CNC(=O)CC(C)(C)[NH3+])CC1 ZINC000084185376 488034816 /nfs/dbraw/zinc/03/48/16/488034816.db2.gz BWDGXYLCFXECRP-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP CN(CC1CC[NH+](C)CC1)C(=O)CC(C)(C)[NH3+] ZINC000084186787 488035762 /nfs/dbraw/zinc/03/57/62/488035762.db2.gz OGEIJQLDGAFRMS-UHFFFAOYSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@]1(F)C[NH2+]CCN(C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663495025 488044755 /nfs/dbraw/zinc/04/47/55/488044755.db2.gz UCPZLOFRGNLPHH-SDDRHHMPSA-N 2 0 227.327 0.229 20 0 BCADRP C([NH+]1CCC([C@H]2CC[NH2+]C2)CC1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663495295 488045121 /nfs/dbraw/zinc/04/51/21/488045121.db2.gz WWNWRZDCEUCRGP-ZNMIVQPWSA-N 3 0 249.402 0.917 20 0 BCADRP CC1(NC[C@@]23C[C@@H]2C[NH2+]C3)CC[NH2+]CC1 ZINC000663497447 488046739 /nfs/dbraw/zinc/04/67/39/488046739.db2.gz ORDZKIFHTGMNAU-PWSUYJOCSA-N 2 0 209.337 0.328 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC000663500176 488049376 /nfs/dbraw/zinc/04/93/76/488049376.db2.gz YQSYBCQPTUYTMG-XUXIUFHCSA-N 3 0 237.391 0.951 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NCc1nc2c(s1)C[NH2+]CC2 ZINC000663500015 488049500 /nfs/dbraw/zinc/04/95/00/488049500.db2.gz YDHRHLUIYXKKBA-HTQZYQBOSA-N 2 0 240.376 0.614 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000084419895 488051431 /nfs/dbraw/zinc/05/14/31/488051431.db2.gz UTWDVPHCGCRNSY-NEPJUHHUSA-N 2 0 211.353 0.622 20 0 BCADRP CC[NH2+]Cc1cn(CC[NH+]2CCCC2)nn1 ZINC000052377437 488054876 /nfs/dbraw/zinc/05/48/76/488054876.db2.gz FKFAKLMRPGLESD-UHFFFAOYSA-N 2 0 223.324 0.483 20 0 BCADRP Cn1c2cc(C[N@H+](C)CCC[NH3+])ccc2oc1=O ZINC000084575947 488064874 /nfs/dbraw/zinc/06/48/74/488064874.db2.gz ZLIGCRWMNHXJJA-UHFFFAOYSA-N 2 0 249.314 0.912 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCNC2=O)C1 ZINC000656200906 488067911 /nfs/dbraw/zinc/06/79/11/488067911.db2.gz YIGINSCMARBBCU-HBNTYKKESA-N 2 0 225.336 0.372 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000044538850 488071171 /nfs/dbraw/zinc/07/11/71/488071171.db2.gz BYXRZXVFZCJYNV-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C([C@H]1CNCCO1)[N@@H+]1CCC2(C1)CCOCC2 ZINC000310200877 488071197 /nfs/dbraw/zinc/07/11/97/488071197.db2.gz BOQDHPSVXFLNSE-GFCCVEGCSA-N 2 0 240.347 0.477 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH3+])C1 ZINC000389169808 488080113 /nfs/dbraw/zinc/08/01/13/488080113.db2.gz NNACNANAMJMRME-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCN1 ZINC000257781800 488088824 /nfs/dbraw/zinc/08/88/24/488088824.db2.gz JIMHHWCVNHDMAY-QWHCGFSZSA-N 2 0 225.380 0.916 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CC(C)(C)[NH3+] ZINC000236816723 488090236 /nfs/dbraw/zinc/09/02/36/488090236.db2.gz CGQRNALPFJUFBZ-SNVBAGLBSA-N 2 0 229.368 0.946 20 0 BCADRP [NH3+]C1(CC(=O)NCCC2CC[NH2+]CC2)CCC1 ZINC000653268356 488091160 /nfs/dbraw/zinc/09/11/60/488091160.db2.gz IOLHYPOPVKUUIB-UHFFFAOYSA-N 2 0 239.363 0.764 20 0 BCADRP CC(C)([NH3+])CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000236850419 488093471 /nfs/dbraw/zinc/09/34/71/488093471.db2.gz HGXIDYZBUFYROM-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP O=C(NCCC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000006904619 488096647 /nfs/dbraw/zinc/09/66/47/488096647.db2.gz GARIEWOYWDFRIM-UHFFFAOYSA-N 2 0 239.363 0.492 20 0 BCADRP c1nc2n(c1CN1C[C@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000667712456 488097369 /nfs/dbraw/zinc/09/73/69/488097369.db2.gz GRMUYEOKTOMAPK-GHMZBOCLSA-N 2 0 232.331 0.481 20 0 BCADRP CC[C@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000236950552 488098312 /nfs/dbraw/zinc/09/83/12/488098312.db2.gz VTBMFLYHYNPSID-JTQLQIEISA-N 2 0 236.319 0.819 20 0 BCADRP OCC[C@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000389481901 488098505 /nfs/dbraw/zinc/09/85/05/488098505.db2.gz HDKJLGAUJWLBNT-NWDGAFQWSA-N 2 0 212.337 0.833 20 0 BCADRP C1C[NH2+][C@@H](c2noc([C@@H]3CCC[NH2+]3)n2)C1 ZINC000258133168 488102217 /nfs/dbraw/zinc/10/22/17/488102217.db2.gz UVCIWAXWAISNDD-SFYZADRCSA-N 2 0 208.265 0.919 20 0 BCADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CC[NH2+]CC1 ZINC000258132131 488102289 /nfs/dbraw/zinc/10/22/89/488102289.db2.gz MGJDDTQGVVOABL-CYBMUJFWSA-N 2 0 245.326 0.653 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000389661824 488104505 /nfs/dbraw/zinc/10/45/05/488104505.db2.gz RYARRDAZJMHPPR-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC000389649397 488104476 /nfs/dbraw/zinc/10/44/76/488104476.db2.gz NOWMJNYJBNNQBP-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000389690323 488105747 /nfs/dbraw/zinc/10/57/47/488105747.db2.gz ZUSIGONXOHUYAW-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000237153358 488106136 /nfs/dbraw/zinc/10/61/36/488106136.db2.gz XPBMGIDSACBORY-LPEHRKFASA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000092951304 488105898 /nfs/dbraw/zinc/10/58/98/488105898.db2.gz UYGWUORBAUBOOA-CMPLNLGQSA-N 2 0 239.363 0.537 20 0 BCADRP COC1(CO)CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000402889245 488106258 /nfs/dbraw/zinc/10/62/58/488106258.db2.gz DRPZTLMYPRFUNB-UHFFFAOYSA-N 2 0 242.363 0.459 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669509692 488109849 /nfs/dbraw/zinc/10/98/49/488109849.db2.gz OPWJRJFRBOZTBI-MNOVXSKESA-N 2 0 227.352 0.633 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669509595 488109929 /nfs/dbraw/zinc/10/99/29/488109929.db2.gz FNTFDCRMDIZPEL-AXFHLTTASA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1ccnn1C ZINC000230775532 488110396 /nfs/dbraw/zinc/11/03/96/488110396.db2.gz BOXPYVJGXXTONR-MNOVXSKESA-N 2 0 222.336 0.632 20 0 BCADRP O=C(CC[NH2+]C1CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726835 488111595 /nfs/dbraw/zinc/11/15/95/488111595.db2.gz XRWJXBFTPFXGTO-LLVKDONJSA-N 2 0 237.347 0.481 20 0 BCADRP c1cc(CN2CC[NH2+]CC2)c2c(c1)C[NH2+]CC2 ZINC000258325091 488111428 /nfs/dbraw/zinc/11/14/28/488111428.db2.gz XUNVDNSWAXBFJV-UHFFFAOYSA-N 2 0 231.343 0.738 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000669511543 488115966 /nfs/dbraw/zinc/11/59/66/488115966.db2.gz YYFGBEFRGKFWDM-ZJUUUORDSA-N 2 0 227.352 0.748 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000669511873 488116878 /nfs/dbraw/zinc/11/68/78/488116878.db2.gz KUJQUFFYBPHIRG-CMPLNLGQSA-N 2 0 227.352 0.701 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CC1([NH3+])CCC1 ZINC000669511944 488116904 /nfs/dbraw/zinc/11/69/04/488116904.db2.gz OENICVURQLVXLU-MNOVXSKESA-N 2 0 239.363 0.892 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000669511874 488116924 /nfs/dbraw/zinc/11/69/24/488116924.db2.gz KUJQUFFYBPHIRG-JQWIXIFHSA-N 2 0 227.352 0.701 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000669512529 488118736 /nfs/dbraw/zinc/11/87/36/488118736.db2.gz UBVWVKCQWUTREC-GRYCIOLGSA-N 2 0 239.363 0.713 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000669512442 488119054 /nfs/dbraw/zinc/11/90/54/488119054.db2.gz VOBGOPYMYZEHPT-MFKMUULPSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000669512846 488119629 /nfs/dbraw/zinc/11/96/29/488119629.db2.gz AYGLEKYNXACMLN-SNVBAGLBSA-N 2 0 247.342 0.194 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)CC1([NH3+])CCC1 ZINC000669512761 488119644 /nfs/dbraw/zinc/11/96/44/488119644.db2.gz PXUNKQQGGLIOQL-JTQLQIEISA-N 2 0 227.352 0.892 20 0 BCADRP [NH3+]C1(CC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CCC1 ZINC000669512928 488120760 /nfs/dbraw/zinc/12/07/60/488120760.db2.gz QQUHMJIMSJFFHB-LLVKDONJSA-N 2 0 237.347 0.611 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000669514682 488124105 /nfs/dbraw/zinc/12/41/05/488124105.db2.gz ZJERVRMOEIFZEU-GHMZBOCLSA-N 2 0 227.352 0.426 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000669516185 488125780 /nfs/dbraw/zinc/12/57/80/488125780.db2.gz WVMZAZNGJPUKLO-BJDJZHNGSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)CC2([NH3+])CCC2)[C@@H]1C ZINC000669516821 488126749 /nfs/dbraw/zinc/12/67/49/488126749.db2.gz HCNVSAIQWJHPDO-NXEZZACHSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000136807678 488126822 /nfs/dbraw/zinc/12/68/22/488126822.db2.gz YGLGGYISMRPDNS-QWRGUYRKSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H]([NH3+])CNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000669517768 488129127 /nfs/dbraw/zinc/12/91/27/488129127.db2.gz SIDDNMUOCANPGB-JTQLQIEISA-N 2 0 247.342 0.452 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CC1([NH3+])CCC1 ZINC000669518585 488130105 /nfs/dbraw/zinc/13/01/05/488130105.db2.gz FFLYZZAQYZAGHM-CKYFFXLPSA-N 2 0 239.363 0.761 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000669518643 488130474 /nfs/dbraw/zinc/13/04/74/488130474.db2.gz XSZQHVUKVYISPC-JTQLQIEISA-N 2 0 227.352 0.844 20 0 BCADRP CC(C)C[C@H](C)CN(CC[NH3+])C[C@H](O)CO ZINC000662288961 487538909 /nfs/dbraw/zinc/53/89/09/487538909.db2.gz WDBHTVLPFSNDIY-RYUDHWBXSA-N 2 0 232.368 0.283 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000382373177 487540416 /nfs/dbraw/zinc/54/04/16/487540416.db2.gz HDJUSLNDZGYGGB-LPEHRKFASA-N 2 0 213.325 0.310 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000309744103 487540590 /nfs/dbraw/zinc/54/05/90/487540590.db2.gz FBGLRFFCJWDAEQ-VHSXEESVSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000674264493 487542880 /nfs/dbraw/zinc/54/28/80/487542880.db2.gz XDYOVHVWKUALPO-VHSXEESVSA-N 2 0 213.325 0.147 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000382426213 487543282 /nfs/dbraw/zinc/54/32/82/487543282.db2.gz YHMOEODJERBARX-KXUCPTDWSA-N 2 0 213.325 0.215 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000162245869 487545236 /nfs/dbraw/zinc/54/52/36/487545236.db2.gz POPZSIKTGVBNND-GVXVVHGQSA-N 2 0 239.363 0.762 20 0 BCADRP C[N@H+](CCNC(=O)c1ccc(C[NH3+])o1)C1CC1 ZINC000094571637 487545640 /nfs/dbraw/zinc/54/56/40/487545640.db2.gz GZRPXKOTZDNEHI-UHFFFAOYSA-N 2 0 237.303 0.562 20 0 BCADRP C[C@H]1CCC[N@H+](CCC[NH3+])[C@@H]1CCO ZINC000662302278 487546688 /nfs/dbraw/zinc/54/66/88/487546688.db2.gz LRNALSWOWCSAHE-WDEREUQCSA-N 2 0 200.326 0.818 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000261751904 487551054 /nfs/dbraw/zinc/55/10/54/487551054.db2.gz IZUXOWHSMBEREW-IRCOFANPSA-N 2 0 239.363 0.890 20 0 BCADRP [NH3+]C[C@@H](C(=O)NCC[NH2+]C1CC1)c1ccccc1 ZINC000238024457 487551371 /nfs/dbraw/zinc/55/13/71/487551371.db2.gz MNLHOZVSHWZTDX-CYBMUJFWSA-N 2 0 247.342 0.597 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227153321 487556106 /nfs/dbraw/zinc/55/61/06/487556106.db2.gz VTGTYPJGAXWSJR-DCAQKATOSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H](C(=O)NCC[NH+]1CCC(C)CC1)[NH+](C)C ZINC000674245533 487531235 /nfs/dbraw/zinc/53/12/35/487531235.db2.gz OZFPFHBRRHREML-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])CC(C)C ZINC000669520223 488139121 /nfs/dbraw/zinc/13/91/21/488139121.db2.gz BZQFCXNTWXDWDE-RKDXNWHRSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@@H](CNC(=O)CC(C)(C)[NH3+])[NH+]1CCCC1 ZINC000161047341 487474097 /nfs/dbraw/zinc/47/40/97/487474097.db2.gz GBWIXMDBFILIKU-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CCN1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000391496144 487481596 /nfs/dbraw/zinc/48/15/96/487481596.db2.gz GXOXIUAVCRINLE-GMTAPVOTSA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N(C)C1CC([NH3+])C1 ZINC000659619699 487477687 /nfs/dbraw/zinc/47/76/87/487477687.db2.gz RXARATIBMAINON-VQXHTEKXSA-N 2 0 242.367 0.491 20 0 BCADRP C[C@@H](C(=O)NC[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000237611503 487492649 /nfs/dbraw/zinc/49/26/49/487492649.db2.gz YDBDQAMZUJLHCK-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H](C(=O)NC[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000237611536 487492667 /nfs/dbraw/zinc/49/26/67/487492667.db2.gz FRRALLXKUZOHAX-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H]([NH3+])CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000669566702 487493054 /nfs/dbraw/zinc/49/30/54/487493054.db2.gz PUPGBHVUKHGADX-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000144673267 487497115 /nfs/dbraw/zinc/49/71/15/487497115.db2.gz SBKLSHBXDRZFQL-QWRGUYRKSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]CCCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334285045 487499528 /nfs/dbraw/zinc/49/95/28/487499528.db2.gz BGAAGLHPUWPCMQ-GFCCVEGCSA-N 2 0 225.336 0.327 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1)OC ZINC000662266624 487503353 /nfs/dbraw/zinc/50/33/53/487503353.db2.gz NREQEQKXPSXYIA-DCAQKATOSA-N 2 0 216.325 0.317 20 0 BCADRP C[N@H+](CCOCC[NH3+])Cc1ccncc1 ZINC000086435401 487506917 /nfs/dbraw/zinc/50/69/17/487506917.db2.gz XJBVKEWGVOISSI-UHFFFAOYSA-N 2 0 209.293 0.489 20 0 BCADRP C[C@]1(C(=O)NC[C@@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000237762922 487512536 /nfs/dbraw/zinc/51/25/36/487512536.db2.gz CJPGKSFESCDLCC-JQWIXIFHSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+]CCC[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000300400304 487512908 /nfs/dbraw/zinc/51/29/08/487512908.db2.gz WAFCIAGJDXZSOC-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H]([NH3+])CNC(=O)NCC[NH+]1CCC(C)CC1 ZINC000669303697 487507631 /nfs/dbraw/zinc/50/76/31/487507631.db2.gz GZNMFRROCXYEQI-NSHDSACASA-N 2 0 242.367 0.365 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)CC(C)(C)[NH3+] ZINC000381468966 487509233 /nfs/dbraw/zinc/50/92/33/487509233.db2.gz NOQGELMZBHCVMA-SECBINFHSA-N 2 0 215.341 0.603 20 0 BCADRP [NH3+]C1(CC(=O)NC[C@H]2CCC[NH2+]C2)CCC1 ZINC000237813990 487518636 /nfs/dbraw/zinc/51/86/36/487518636.db2.gz BCHXRHCLLOTZKF-JTQLQIEISA-N 2 0 225.336 0.374 20 0 BCADRP CCN1CC[C@H]([N@@H+]2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000662273671 487521994 /nfs/dbraw/zinc/52/19/94/487521994.db2.gz XRBRCSCJBAGQJD-RYUDHWBXSA-N 2 0 239.363 0.668 20 0 BCADRP CN(C[C@H]1CCC2(C[NH2+]C2)O1)C1(C[NH3+])CCC1 ZINC000662274101 487522587 /nfs/dbraw/zinc/52/25/87/487522587.db2.gz REYKAOPOEKSAST-LLVKDONJSA-N 2 0 239.363 0.321 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]([NH3+])CC(C)C)C1CC1 ZINC000167204435 488146155 /nfs/dbraw/zinc/14/61/55/488146155.db2.gz XXOIOPJVAMFQLY-GFCCVEGCSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000669524650 488164816 /nfs/dbraw/zinc/16/48/16/488164816.db2.gz NSVFLLLKXVILCQ-AEJSXWLSSA-N 2 0 240.351 0.258 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000162049921 487534738 /nfs/dbraw/zinc/53/47/38/487534738.db2.gz ZMIHDILHYZNGMA-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+]CCCNC(=O)CCC1CC[NH2+]CC1 ZINC000154514133 487667506 /nfs/dbraw/zinc/66/75/06/487667506.db2.gz XXSLDQXFWOAXOS-UHFFFAOYSA-N 2 0 227.352 0.492 20 0 BCADRP CC(=O)N[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000396627619 487989257 /nfs/dbraw/zinc/98/92/57/487989257.db2.gz CKWZFCNEUXOYEZ-NWDGAFQWSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](C)[NH2+]C ZINC000655448107 488036846 /nfs/dbraw/zinc/03/68/46/488036846.db2.gz BSNYNONAMKOODX-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000389434566 488096187 /nfs/dbraw/zinc/09/61/87/488096187.db2.gz ZMGAWGQPKAKBNF-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H](C)C1 ZINC000379446572 488137433 /nfs/dbraw/zinc/13/74/33/488137433.db2.gz XSPOOWFQSPHWEG-RYUDHWBXSA-N 2 0 246.420 0.984 20 0 BCADRP CN(C[C@H]1CCC[N@H+](C)C1)C[C@H]1C[NH2+]CCO1 ZINC000258991485 488145677 /nfs/dbraw/zinc/14/56/77/488145677.db2.gz VPAOGBOAOZFPGN-QWHCGFSZSA-N 2 0 241.379 0.248 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)CC1([NH3+])CCC1 ZINC000669520850 488149113 /nfs/dbraw/zinc/14/91/13/488149113.db2.gz CFLRCZMHUISNOY-VIFPVBQESA-N 2 0 225.336 0.515 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)CC1([NH3+])CCC1 ZINC000669520849 488149396 /nfs/dbraw/zinc/14/93/96/488149396.db2.gz CFLRCZMHUISNOY-SECBINFHSA-N 2 0 225.336 0.515 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000237337763 488150565 /nfs/dbraw/zinc/15/05/65/488150565.db2.gz AJDPDTIYEAICAP-NEPJUHHUSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]([NH3+])C[C@H]1C)[NH+](C)C ZINC000237403246 488151426 /nfs/dbraw/zinc/15/14/26/488151426.db2.gz PLMTZOVRKSIWAS-KXUCPTDWSA-N 2 0 213.325 0.275 20 0 BCADRP CN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@H](C[NH3+])C1CC1 ZINC000669521175 488151774 /nfs/dbraw/zinc/15/17/74/488151774.db2.gz KNRSXFLCVVSVJG-NWDGAFQWSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1CC[N@H+](CCc2ccnn2C)C[C@@H]1C[NH3+] ZINC000230775654 488156779 /nfs/dbraw/zinc/15/67/79/488156779.db2.gz UZTIIHPDGZEECP-RYUDHWBXSA-N 2 0 236.363 0.879 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC000230775576 488156954 /nfs/dbraw/zinc/15/69/54/488156954.db2.gz FZHIHBBOYKWGGQ-QWRGUYRKSA-N 2 0 222.336 0.632 20 0 BCADRP CCn1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000404432628 488160247 /nfs/dbraw/zinc/16/02/47/488160247.db2.gz AAEJBTZMYGISTJ-QJPTWQEYSA-N 2 0 249.362 0.776 20 0 BCADRP CN1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000380124610 488175325 /nfs/dbraw/zinc/17/53/25/488175325.db2.gz VHJKRDJWJAFRRL-LPEHRKFASA-N 2 0 211.309 0.077 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](C)CC2(C)C)C1 ZINC000678040947 488177399 /nfs/dbraw/zinc/17/73/99/488177399.db2.gz VXBJBADNSPFIPJ-LLVKDONJSA-N 2 0 239.363 0.491 20 0 BCADRP Cc1ncc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)n1C ZINC000668012164 488183954 /nfs/dbraw/zinc/18/39/54/488183954.db2.gz UMQVWOFARKCNBW-CABZTGNLSA-N 2 0 223.320 0.931 20 0 BCADRP CC(C)[C@H]1CN(C(=O)CC[NH2+]C2CC2)CC[NH2+]1 ZINC000655457348 488198433 /nfs/dbraw/zinc/19/84/33/488198433.db2.gz RNIMAMJTYCSSCF-GFCCVEGCSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000398099971 488210418 /nfs/dbraw/zinc/21/04/18/488210418.db2.gz SHAXSVGDQLRADE-LLVKDONJSA-N 2 0 237.347 0.565 20 0 BCADRP [NH3+]C1(CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000398109417 488211156 /nfs/dbraw/zinc/21/11/56/488211156.db2.gz WSUIFRNTOWYCSV-WDEREUQCSA-N 2 0 237.347 0.611 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)CC1([NH3+])CC1 ZINC000398110612 488211232 /nfs/dbraw/zinc/21/12/32/488211232.db2.gz YIWSYCCKPAYPDM-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP C[NH+]1CCC(CNC(=O)CC2([NH3+])CC2)CC1 ZINC000398110786 488211297 /nfs/dbraw/zinc/21/12/97/488211297.db2.gz MUHUGKAJJBJFMR-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]C1(CC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000398115802 488211382 /nfs/dbraw/zinc/21/13/82/488211382.db2.gz ZBTKAPBUVKGNGM-SNVBAGLBSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@H](CNC(=O)CC1([NH3+])CC1)C[NH+]1CCCC1 ZINC000398125020 488211404 /nfs/dbraw/zinc/21/14/04/488211404.db2.gz ICKUCOJYHQIBHX-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)CC2([NH3+])CC2)C1 ZINC000398136266 488212019 /nfs/dbraw/zinc/21/20/19/488212019.db2.gz XRNCBFBGADPVBM-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]C1(CC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000398175463 488213572 /nfs/dbraw/zinc/21/35/72/488213572.db2.gz ZYFSFHSXLIQRAL-UHFFFAOYSA-N 2 0 239.363 0.860 20 0 BCADRP C[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000684572141 488328328 /nfs/dbraw/zinc/32/83/28/488328328.db2.gz FMXNYHBJTZMPIE-LLVKDONJSA-N 2 0 221.304 0.584 20 0 BCADRP C[C@@H](CO)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000120591669 490064982 /nfs/dbraw/zinc/06/49/82/490064982.db2.gz NGFAQHLDOPEXTM-CYBMUJFWSA-N 2 0 243.395 0.184 20 0 BCADRP C[NH+](C)C1(CNC(=O)CCC[NH3+])CCCC1 ZINC000110374282 490105730 /nfs/dbraw/zinc/10/57/30/490105730.db2.gz CGSXBIYPDWTQOZ-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C(C)(C)C[NH3+] ZINC000054128975 490106713 /nfs/dbraw/zinc/10/67/13/490106713.db2.gz AVNDHWFOKVTWPE-UHFFFAOYSA-N 2 0 215.341 0.428 20 0 BCADRP C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)C1CC[NH+](C)CC1 ZINC000079929115 490128333 /nfs/dbraw/zinc/12/83/33/490128333.db2.gz ABSHQSHDAWBVMK-PWSUYJOCSA-N 2 0 239.363 0.585 20 0 BCADRP COCC[N@H+](C)CCCNC(=O)[C@H](C)[NH+](C)C ZINC000078668218 490215979 /nfs/dbraw/zinc/21/59/79/490215979.db2.gz GSCVGJGQHVDFSR-NSHDSACASA-N 2 0 245.367 0.021 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000078757518 490228573 /nfs/dbraw/zinc/22/85/73/490228573.db2.gz FWNDDSNFALDPSY-TUAOUCFPSA-N 2 0 239.363 0.632 20 0 BCADRP OCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000070913724 490248786 /nfs/dbraw/zinc/24/87/86/490248786.db2.gz NHNPUTPCEBZWDI-UHFFFAOYSA-N 2 0 221.304 0.586 20 0 BCADRP [NH3+]C1(CC(=O)NC[C@H]2CCCC[NH2+]2)CCC1 ZINC000130753592 490452627 /nfs/dbraw/zinc/45/26/27/490452627.db2.gz WWKODIKSKOLQLU-SNVBAGLBSA-N 2 0 225.336 0.516 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)CC1([NH3+])CCC1 ZINC000131160669 490619804 /nfs/dbraw/zinc/61/98/04/490619804.db2.gz QRPILFMATNPRLF-SNVBAGLBSA-N 2 0 225.336 0.598 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)C1CC[NH2+]CC1 ZINC000236624770 491073003 /nfs/dbraw/zinc/07/30/03/491073003.db2.gz XMGLZSADQFASJQ-LBPRGKRZSA-N 2 0 227.352 0.476 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C1(C)C[NH2+]C1 ZINC000399325694 491061459 /nfs/dbraw/zinc/06/14/59/491061459.db2.gz WXDMBKKGNQYBIB-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]CCCN1CC[NH+](CC(C)C)CC1 ZINC000055075709 491086363 /nfs/dbraw/zinc/08/63/63/491086363.db2.gz MNDSCYIBTONOBC-UHFFFAOYSA-N 2 0 213.369 0.870 20 0 BCADRP C[C@H](CC(=O)N[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000247335557 491089208 /nfs/dbraw/zinc/08/92/08/491089208.db2.gz VXZQZZVEQCONOK-WOPDTQHZSA-N 2 0 239.363 0.490 20 0 BCADRP CC[NH+](CC)[C@@H](C)CNC1=[NH+]CCCN1 ZINC000303266347 491092145 /nfs/dbraw/zinc/09/21/45/491092145.db2.gz VVQBMEAOODDZBJ-JTQLQIEISA-N 2 0 212.341 0.656 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000309365498 491093802 /nfs/dbraw/zinc/09/38/02/491093802.db2.gz BBHPGCCUFCCGIK-LPEHRKFASA-N 2 0 213.325 0.310 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000662823598 491115645 /nfs/dbraw/zinc/11/56/45/491115645.db2.gz UDCDQGHGSKKZCD-IUCAKERBSA-N 2 0 201.314 0.226 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCN2CCCC2)C1 ZINC000086402304 491123856 /nfs/dbraw/zinc/12/38/56/491123856.db2.gz HRZZKTIHSNFAQZ-NEPJUHHUSA-N 2 0 211.353 0.942 20 0 BCADRP [NH3+]CC1(CCNC(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000653215237 491128341 /nfs/dbraw/zinc/12/83/41/491128341.db2.gz QIKKJOXWCVAOBG-LBPRGKRZSA-N 2 0 247.342 0.932 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559742 491128806 /nfs/dbraw/zinc/12/88/06/491128806.db2.gz ZHNUNLVBNOJWMU-VHSXEESVSA-N 2 0 215.341 0.570 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000666184249 491131834 /nfs/dbraw/zinc/13/18/34/491131834.db2.gz AYTFDHNTCOOMMT-KGYLQXTDSA-N 2 0 242.363 0.720 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000131840437 491133538 /nfs/dbraw/zinc/13/35/38/491133538.db2.gz WRALAZSKOHDOGP-LBPRGKRZSA-N 2 0 241.379 0.880 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)/C=C\C[NH+](C)C ZINC000492927494 533727255 /nfs/dbraw/zinc/72/72/55/533727255.db2.gz WSZSIZCKJBSUMO-GFVADAIESA-N 2 0 213.325 0.171 20 0 BCADRP CSC[C@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000494186153 533792430 /nfs/dbraw/zinc/79/24/30/533792430.db2.gz PYKYWPQJJUDGHL-GFCCVEGCSA-N 2 0 246.420 0.984 20 0 BCADRP COC(=O)N1CC([NH2+][C@@H](C)CCC[NH3+])C1 ZINC000496697629 533933571 /nfs/dbraw/zinc/93/35/71/533933571.db2.gz KBPRAXVXPGZBNK-QMMMGPOBSA-N 2 0 215.297 0.154 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)NCCC(C)(C)[NH3+] ZINC000891449928 582689218 /nfs/dbraw/zinc/68/92/18/582689218.db2.gz CTCLNNBUYQBLPB-SNVBAGLBSA-N 2 0 244.383 0.753 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000261541102 535759262 /nfs/dbraw/zinc/75/92/62/535759262.db2.gz FNDPLQUSUJXMLY-QXEWZRGKSA-N 2 0 213.325 0.452 20 0 BCADRP CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084222807 535858209 /nfs/dbraw/zinc/85/82/09/535858209.db2.gz KOFRGVZLRBKJRO-MXWKQRLJSA-N 2 0 200.326 0.864 20 0 BCADRP CC1(C)CC[C@@H](CNC(=O)NCC[NH3+])[NH2+]C1 ZINC000891975474 582751470 /nfs/dbraw/zinc/75/14/70/582751470.db2.gz AOMMFUAJDCMUKQ-VIFPVBQESA-N 2 0 228.340 0.023 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000891979117 582752322 /nfs/dbraw/zinc/75/23/22/582752322.db2.gz KNWQBTFTTTXKIX-JTQLQIEISA-N 2 0 242.367 0.413 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891997032 582757371 /nfs/dbraw/zinc/75/73/71/582757371.db2.gz QILUSLVYZQUOFW-JQWIXIFHSA-N 2 0 240.351 0.180 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000892001518 582758892 /nfs/dbraw/zinc/75/88/92/582758892.db2.gz GQECNTOCJBFJBO-NSHDSACASA-N 2 0 242.367 0.509 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000261546023 536138738 /nfs/dbraw/zinc/13/87/38/536138738.db2.gz KOROXIAVZOAAGT-GUBZILKMSA-N 2 0 213.325 0.452 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747705 536138133 /nfs/dbraw/zinc/13/81/33/536138133.db2.gz GKYJRHRCFMQRAQ-NSHDSACASA-N 2 0 225.336 0.420 20 0 BCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[NH2+]2)[C@@H](C)C[NH2+]1 ZINC000494704791 534302857 /nfs/dbraw/zinc/30/28/57/534302857.db2.gz UCMIIZAYEIIDEK-GRYCIOLGSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)C[C@H](C)[N@H+]1C ZINC000418379448 534335800 /nfs/dbraw/zinc/33/58/00/534335800.db2.gz KMFNJQUBDWTSJT-OUAUKWLOSA-N 2 0 240.351 0.082 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000892095942 582789381 /nfs/dbraw/zinc/78/93/81/582789381.db2.gz GXNKZLIGZRHJJU-NXEZZACHSA-N 2 0 228.340 0.247 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000892139895 582798533 /nfs/dbraw/zinc/79/85/33/582798533.db2.gz UQGOBURQPUBHHX-BBBLOLIVSA-N 2 0 228.340 0.245 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)C[NH2+]1 ZINC000892289084 582828701 /nfs/dbraw/zinc/82/87/01/582828701.db2.gz BAGRIEJUUIIBCC-GWOFURMSSA-N 2 0 240.351 0.163 20 0 BCADRP CN(CC[NH3+])C(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000335047093 536367284 /nfs/dbraw/zinc/36/72/84/536367284.db2.gz LWGNQFWRKCZBLI-QWRGUYRKSA-N 2 0 227.352 0.701 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494558193 534679436 /nfs/dbraw/zinc/67/94/36/534679436.db2.gz PFWRJVHLWPLTNE-RYUDHWBXSA-N 2 0 239.363 0.858 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000335658637 536448519 /nfs/dbraw/zinc/44/85/19/536448519.db2.gz AAPKITKLKQOXCC-MNOVXSKESA-N 2 0 237.347 0.291 20 0 BCADRP CC[N@@H+]1CC[C@H](NC(=O)/C=C\C[NH+](C)C)C1 ZINC000493062123 527837027 /nfs/dbraw/zinc/83/70/27/527837027.db2.gz ZKWIPNPDBRIZDV-GZTOBOFZSA-N 2 0 225.336 0.315 20 0 BCADRP CC[N@@H+]1CC[C@H](NC(=O)/C=C/C[NH+](C)C)C1 ZINC000493062132 527837490 /nfs/dbraw/zinc/83/74/90/527837490.db2.gz ZKWIPNPDBRIZDV-QRGHLMKCSA-N 2 0 225.336 0.315 20 0 BCADRP COCCOCC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000261567784 536515309 /nfs/dbraw/zinc/51/53/09/536515309.db2.gz FCDCNMVXQIQZGQ-NSHDSACASA-N 2 0 216.325 0.366 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)[NH+](C)C ZINC000484693703 528355755 /nfs/dbraw/zinc/35/57/55/528355755.db2.gz HWMLFGWYIYLFQT-WOPDTQHZSA-N 2 0 241.379 0.768 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000494675836 528499453 /nfs/dbraw/zinc/49/94/53/528499453.db2.gz WODLEYTUKVXNSW-IJLUTSLNSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)[C@H](CO)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400322382 529023833 /nfs/dbraw/zinc/02/38/33/529023833.db2.gz CIAOOZOTUGTPOR-SDDRHHMPSA-N 2 0 214.353 0.981 20 0 BCADRP CC[N@@H+]1CCN(C(=O)/C=C\C[NH+](C)C)[C@@H](C)C1 ZINC000492808028 529108686 /nfs/dbraw/zinc/10/86/86/529108686.db2.gz ZDAOFVYGRLKDEF-DGMVEKRQSA-N 2 0 239.363 0.657 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)/C=C\C[NH+](C)C ZINC000493639547 529286201 /nfs/dbraw/zinc/28/62/01/529286201.db2.gz DMLDZJFGDDUBOP-DGMVEKRQSA-N 2 0 239.363 0.657 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NCC[NH2+]CCOC ZINC000236666822 534933125 /nfs/dbraw/zinc/93/31/25/534933125.db2.gz RDIYTTOAFPRJSJ-UHFFFAOYSA-N 2 0 245.367 0.104 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000335662191 534981965 /nfs/dbraw/zinc/98/19/65/534981965.db2.gz GFAQPIRIRAMLAB-NSHDSACASA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)[NH3+])C1 ZINC000168721594 535131805 /nfs/dbraw/zinc/13/18/05/535131805.db2.gz CLLDMTVQIPSRJG-MNOVXSKESA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000262543959 535138099 /nfs/dbraw/zinc/13/80/99/535138099.db2.gz YNCVCFFLPPRNBW-QWRGUYRKSA-N 2 0 227.352 0.441 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334378566 535194634 /nfs/dbraw/zinc/19/46/34/535194634.db2.gz HHXBCPOJQIJZQM-LLVKDONJSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000335319398 535194681 /nfs/dbraw/zinc/19/46/81/535194681.db2.gz CFEMFDMBZTXDAT-NSHDSACASA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)([NH3+])CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000261564791 535199571 /nfs/dbraw/zinc/19/95/71/535199571.db2.gz CRSDKQGNMLESHV-GFCCVEGCSA-N 2 0 211.353 0.799 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262465417 535207324 /nfs/dbraw/zinc/20/73/24/535207324.db2.gz XPTNBCJVRVRHJM-MXWKQRLJSA-N 2 0 239.363 0.761 20 0 BCADRP CC(C)N1CC[C@H]([NH+]2CCC(C[NH3+])CC2)C1=O ZINC000336200505 535244835 /nfs/dbraw/zinc/24/48/35/535244835.db2.gz NFMBUEWBPAMZGK-LBPRGKRZSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351754216 535315844 /nfs/dbraw/zinc/31/58/44/535315844.db2.gz IMEJNBYVFHPDPJ-MXWKQRLJSA-N 2 0 227.352 0.556 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351754217 535316450 /nfs/dbraw/zinc/31/64/50/535316450.db2.gz IMEJNBYVFHPDPJ-VWYCJHECSA-N 2 0 227.352 0.556 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[NH+](C)C ZINC000261806447 535323841 /nfs/dbraw/zinc/32/38/41/535323841.db2.gz MFZBVDHPIVWYML-SDDRHHMPSA-N 2 0 241.379 0.768 20 0 BCADRP CC1(C)CN(C(=O)C[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000335596794 535334845 /nfs/dbraw/zinc/33/48/45/535334845.db2.gz BKGZAXDZJNMJJU-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP CC1(C)CN(C(=O)c2coc(C[NH3+])c2)CC[NH2+]1 ZINC000335599732 535351238 /nfs/dbraw/zinc/35/12/38/535351238.db2.gz WRQUCODOWCRDKI-UHFFFAOYSA-N 2 0 237.303 0.562 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H]([NH3+])C1CC1)[NH+](CC)CC ZINC000261925205 535417265 /nfs/dbraw/zinc/41/72/65/535417265.db2.gz JXPCGOXLPGZINK-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263192701 535474631 /nfs/dbraw/zinc/47/46/31/535474631.db2.gz IDDXLYVEPFMKNR-CMPLNLGQSA-N 2 0 227.352 0.620 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000262572060 535487685 /nfs/dbraw/zinc/48/76/85/535487685.db2.gz BNPXAXRZAMCSBG-UHFFFAOYSA-N 2 0 229.368 0.772 20 0 BCADRP CC[C@@H](C)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221160530 535514361 /nfs/dbraw/zinc/51/43/61/535514361.db2.gz RUDVGMSMCUJOQG-VXGBXAGGSA-N 2 0 241.379 0.819 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000261540089 535526317 /nfs/dbraw/zinc/52/63/17/535526317.db2.gz DSEUYHIBXKHQSY-GXSJLCMTSA-N 2 0 213.325 0.324 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C[NH3+] ZINC000252440688 535564547 /nfs/dbraw/zinc/56/45/47/535564547.db2.gz KWHBKUNLCDOQQJ-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000178826436 535596003 /nfs/dbraw/zinc/59/60/03/535596003.db2.gz APSLVNLQLQVKIE-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N(C)CCC[NH2+]C ZINC000087471786 535674050 /nfs/dbraw/zinc/67/40/50/535674050.db2.gz RRDBNGUAIGXKKJ-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251382505 535678776 /nfs/dbraw/zinc/67/87/76/535678776.db2.gz WIYLSNZGYAVMHG-WOPDTQHZSA-N 2 0 239.363 0.857 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217810075 535680354 /nfs/dbraw/zinc/68/03/54/535680354.db2.gz BOLWRWIITSUELP-SRVKXCTJSA-N 2 0 239.363 0.857 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351759484 535760461 /nfs/dbraw/zinc/76/04/61/535760461.db2.gz CZDRLDBUXHSZLY-FOGDFJRCSA-N 2 0 227.352 0.700 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CCCO)[C@H](C)C1 ZINC000166251780 535768623 /nfs/dbraw/zinc/76/86/23/535768623.db2.gz UWJLOANLYIIQCE-MNOVXSKESA-N 2 0 200.326 0.689 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342606389 535848314 /nfs/dbraw/zinc/84/83/14/535848314.db2.gz LOWUMPTZVVQZEC-DMDPSCGWSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262591319 535950115 /nfs/dbraw/zinc/95/01/15/535950115.db2.gz TXSWSACESAVJGX-UWVGGRQHSA-N 2 0 229.368 0.803 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262072792 535965078 /nfs/dbraw/zinc/96/50/78/535965078.db2.gz SEZNIXLYYVDQGF-CHWSQXEVSA-N 2 0 225.380 0.870 20 0 BCADRP C[NH+](C)Cc1cccc(C(=O)NCC2C[NH2+]C2)c1 ZINC000262049312 536025448 /nfs/dbraw/zinc/02/54/48/536025448.db2.gz VFNBNJDPSSVOER-UHFFFAOYSA-N 2 0 247.342 0.697 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261769426 536138221 /nfs/dbraw/zinc/13/82/21/536138221.db2.gz RGDIOSCHGFCDTN-ZDUSSCGKSA-N 2 0 249.358 0.754 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178407640 536138843 /nfs/dbraw/zinc/13/88/43/536138843.db2.gz KTOCGPZEHXOOQX-WPRPVWTQSA-N 2 0 213.325 0.310 20 0 BCADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)[NH3+] ZINC000261743714 536166670 /nfs/dbraw/zinc/16/66/70/536166670.db2.gz GSPXXSMGUOXOFC-VWYCJHECSA-N 2 0 225.336 0.419 20 0 BCADRP C[N@H+](CCCO)C[C@@H]1CCC[NH+](C)C1 ZINC000259156322 536357550 /nfs/dbraw/zinc/35/75/50/536357550.db2.gz XTZMDMULZCOMQG-LLVKDONJSA-N 2 0 200.326 0.642 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000258416256 536372555 /nfs/dbraw/zinc/37/25/55/536372555.db2.gz IZQHUBGGEJFXMT-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CCC[NH3+])CC[C@@H]21 ZINC000167511517 536377238 /nfs/dbraw/zinc/37/72/38/536377238.db2.gz WZHVFZNZYJITFH-NEPJUHHUSA-N 2 0 239.363 0.668 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)C1([NH3+])CCC1 ZINC000226082717 536391196 /nfs/dbraw/zinc/39/11/96/536391196.db2.gz ZFUNWELBFSVSTP-VIFPVBQESA-N 2 0 211.309 0.078 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000261534176 536391220 /nfs/dbraw/zinc/39/12/20/536391220.db2.gz NYLCQAUHIAQXSK-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCCO)C2)C1 ZINC000335930952 536395489 /nfs/dbraw/zinc/39/54/89/536395489.db2.gz FLUHLULNQIZFEH-LBPRGKRZSA-N 2 0 212.337 0.787 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000178405610 536410818 /nfs/dbraw/zinc/41/08/18/536410818.db2.gz VDZNVUGQAMDMGO-QWHCGFSZSA-N 2 0 247.342 0.897 20 0 BCADRP C[NH2+][C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261549701 536412899 /nfs/dbraw/zinc/41/28/99/536412899.db2.gz PBJJQJXAPNPTNP-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C[C@@H]1CCC[NH2+]C1 ZINC000261547034 536458596 /nfs/dbraw/zinc/45/85/96/536458596.db2.gz LPZUZZDKHVJOHQ-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C[C@H]1CCC[NH2+]C1 ZINC000261547036 536458969 /nfs/dbraw/zinc/45/89/69/536458969.db2.gz LPZUZZDKHVJOHQ-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000178867121 536462755 /nfs/dbraw/zinc/46/27/55/536462755.db2.gz GXZMZFMCLFEAIP-DCAQKATOSA-N 2 0 239.363 0.583 20 0 BCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH3+])C1 ZINC000335657949 536470153 /nfs/dbraw/zinc/47/01/53/536470153.db2.gz PRIQPZFNDXQOKK-NWDGAFQWSA-N 2 0 239.363 0.668 20 0 BCADRP COC[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000261823225 536583216 /nfs/dbraw/zinc/58/32/16/536583216.db2.gz IOUGWVZZMCVUFG-WCQYABFASA-N 2 0 242.363 0.722 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000289300090 566383657 /nfs/dbraw/zinc/38/36/57/566383657.db2.gz RZEYPEPDJJOOSS-KGYLQXTDSA-N 2 0 247.342 0.677 20 0 BCADRP CCC1([NH3+])CCN(C(=O)N(C)CC[NH3+])CC1 ZINC000892933835 583011856 /nfs/dbraw/zinc/01/18/56/583011856.db2.gz QPOKGDCMGAGMGP-UHFFFAOYSA-N 2 0 228.340 0.200 20 0 BCADRP CC(=O)OC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000892947242 583015056 /nfs/dbraw/zinc/01/50/56/583015056.db2.gz ZZJKBSDDGKYXIP-CMPLNLGQSA-N 2 0 228.336 0.869 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](C)C[NH3+] ZINC000852827919 583018566 /nfs/dbraw/zinc/01/85/66/583018566.db2.gz CICYMYJOVBKZSG-UWVGGRQHSA-N 2 0 215.341 0.461 20 0 BCADRP C[C@]1(NC(=O)C=C2CC[NH2+]CC2)CC[NH2+]C1 ZINC000852931241 588713927 /nfs/dbraw/zinc/71/39/27/588713927.db2.gz XKCIZZIKPWZTMK-LBPRGKRZSA-N 2 0 223.320 0.164 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)[C@H]1CC[NH2+]1 ZINC000877438102 583313467 /nfs/dbraw/zinc/31/34/67/583313467.db2.gz JMHRDJGKLQCORI-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@@H]1COCC1(C)C ZINC000894174711 583326439 /nfs/dbraw/zinc/32/64/39/583326439.db2.gz XSCVGUWKAQZNHG-GFCCVEGCSA-N 2 0 244.379 0.969 20 0 BCADRP C[C@@]1(NC(=O)C=C2CC[NH2+]CC2)CC[NH2+]C1 ZINC000852931240 588713933 /nfs/dbraw/zinc/71/39/33/588713933.db2.gz XKCIZZIKPWZTMK-GFCCVEGCSA-N 2 0 223.320 0.164 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000853246036 588728663 /nfs/dbraw/zinc/72/86/63/588728663.db2.gz QTFIQHRYQVMLHB-SDDRHHMPSA-N 2 0 209.337 0.267 20 0 BCADRP COC(=O)N(C)CC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000854226551 588780445 /nfs/dbraw/zinc/78/04/45/588780445.db2.gz HICBHKHNJPTOAI-RKDXNWHRSA-N 2 0 217.313 0.400 20 0 BCADRP COC(=O)N(C)CC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000854228315 588780957 /nfs/dbraw/zinc/78/09/57/588780957.db2.gz VANJCNZEEVNBBV-BDAKNGLRSA-N 2 0 215.297 0.154 20 0 BCADRP CC(C)NC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112801278 588817197 /nfs/dbraw/zinc/81/71/97/588817197.db2.gz RSNXHFVXUAIZOL-MNOVXSKESA-N 2 0 240.351 0.372 20 0 BCADRP CCCNC(=[NH2+])NC[C@H](C)[NH+]1CCCC1 ZINC000112800783 588817409 /nfs/dbraw/zinc/81/74/09/588817409.db2.gz BNXLLKQYSSZWQB-JTQLQIEISA-N 2 0 212.341 0.995 20 0 BCADRP CC[N@@H+]1CCN(c2cc(C)[nH+]c(N)n2)[C@H](C)C1 ZINC000804798388 582559232 /nfs/dbraw/zinc/55/92/32/582559232.db2.gz UTYUNFXWWPNYIY-SNVBAGLBSA-N 2 0 235.335 0.898 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000846663602 582664014 /nfs/dbraw/zinc/66/40/14/582664014.db2.gz KRDZOVUPCZFEON-GRYCIOLGSA-N 2 0 239.363 0.701 20 0 BCADRP Cc1cc(N)nc(N2CCC([NH+](C)C)CC2)[nH+]1 ZINC000891778818 582719306 /nfs/dbraw/zinc/71/93/06/582719306.db2.gz DTSRVPYIZIXGCP-UHFFFAOYSA-N 2 0 235.335 0.898 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891986757 582753342 /nfs/dbraw/zinc/75/33/42/582753342.db2.gz MDSCYBJGHMROQF-QWRGUYRKSA-N 2 0 242.367 0.506 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NCC(C)(C)[NH3+] ZINC000892034849 582766860 /nfs/dbraw/zinc/76/68/60/582766860.db2.gz WFXYSOXEVLTOQM-UHFFFAOYSA-N 2 0 216.329 0.150 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCCC(C)(C)[NH3+] ZINC000892036678 582769401 /nfs/dbraw/zinc/76/94/01/582769401.db2.gz MYTKHUXPSHRKEF-JTQLQIEISA-N 2 0 244.383 0.786 20 0 BCADRP CCN(C(=O)NC[C@@H]([NH3+])C1CC1)[C@H]1CC[NH2+]C1 ZINC000892051107 582774965 /nfs/dbraw/zinc/77/49/65/582774965.db2.gz MWVBSECFKUCBKB-WDEREUQCSA-N 2 0 240.351 0.117 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NCC1([NH3+])CCC1 ZINC000892053022 582776355 /nfs/dbraw/zinc/77/63/55/582776355.db2.gz FMBZYSOSPNSMBH-UHFFFAOYSA-N 2 0 228.340 0.294 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000892055259 582778046 /nfs/dbraw/zinc/77/80/46/582778046.db2.gz IOBPYRYPQFMJGR-GHMZBOCLSA-N 2 0 242.367 0.637 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892079215 582786705 /nfs/dbraw/zinc/78/67/05/582786705.db2.gz DXBJUJCWCZMLFC-AXFHLTTASA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCC(C)(C)[NH3+] ZINC000892079940 582787098 /nfs/dbraw/zinc/78/70/98/582787098.db2.gz PBQAHYOCWPQDNK-ZJUUUORDSA-N 2 0 242.367 0.411 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000892083243 582787717 /nfs/dbraw/zinc/78/77/17/582787717.db2.gz SEMKWNITUORVFE-OUAUKWLOSA-N 2 0 240.351 0.165 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000892083231 582788134 /nfs/dbraw/zinc/78/81/34/582788134.db2.gz SCHNBYGBYJNVNW-JTQLQIEISA-N 2 0 242.367 0.555 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000892089543 582788848 /nfs/dbraw/zinc/78/88/48/582788848.db2.gz RQNGIXLRZABCHU-NAKRPEOUSA-N 2 0 238.335 0.012 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000892090651 582788962 /nfs/dbraw/zinc/78/89/62/582788962.db2.gz XNKQKYZPLVRTCC-CHWFTXMASA-N 2 0 240.351 0.293 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000892097230 582790172 /nfs/dbraw/zinc/79/01/72/582790172.db2.gz MJQYQOKLEDQHAY-LMLFDSFASA-N 2 0 240.351 0.258 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)NCCC(C)(C)[NH3+])CC[NH2+]1 ZINC000892097272 582790393 /nfs/dbraw/zinc/79/03/93/582790393.db2.gz MPFNEZTVNRNRIT-ZJUUUORDSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC000892097726 582790903 /nfs/dbraw/zinc/79/09/03/582790903.db2.gz QJYKUPWJXQOYNC-HBNTYKKESA-N 2 0 240.351 0.260 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000892099398 582790993 /nfs/dbraw/zinc/79/09/93/582790993.db2.gz LXNPRQUGDCTGKQ-MNOVXSKESA-N 2 0 242.367 0.378 20 0 BCADRP [NH3+]C/C=C\CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000892124009 582795471 /nfs/dbraw/zinc/79/54/71/582795471.db2.gz NKPBHVHBHMVCCP-MTVLHHSESA-N 2 0 226.324 0.070 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892139652 582798681 /nfs/dbraw/zinc/79/86/81/582798681.db2.gz RVMIIAZELGTUON-MXWKQRLJSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000892146732 582801604 /nfs/dbraw/zinc/80/16/04/582801604.db2.gz QAMLGOBTEKGVDT-XKNYDFJKSA-N 2 0 228.340 0.291 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCc1ccc(C[NH3+])cc1F ZINC000653226333 582803027 /nfs/dbraw/zinc/80/30/27/582803027.db2.gz WFRFLCUZZMNSDN-MRVPVSSYSA-N 2 0 239.294 0.638 20 0 BCADRP CC(C)([NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653226359 582803208 /nfs/dbraw/zinc/80/32/08/582803208.db2.gz XCUWAMHWYBLUBP-UHFFFAOYSA-N 2 0 239.294 0.638 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892200021 582807448 /nfs/dbraw/zinc/80/74/48/582807448.db2.gz OYKMSEZYPGLWPF-RGOKHQFPSA-N 2 0 228.340 0.149 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCCCCC[NH3+] ZINC000892208185 582807769 /nfs/dbraw/zinc/80/77/69/582807769.db2.gz OVLWUCUGWUVAEH-MNOVXSKESA-N 2 0 242.367 0.637 20 0 BCADRP CC[C@H](CNC1=[NH+]C[C@H](C)N1)[NH+]1CCCC1 ZINC000848986418 582817267 /nfs/dbraw/zinc/81/72/67/582817267.db2.gz PWOMAOGOMOZNFV-WDEREUQCSA-N 2 0 224.352 0.798 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000892293291 582829252 /nfs/dbraw/zinc/82/92/52/582829252.db2.gz SRHDJXWQNXCMAN-YTWAJWBKSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)NCCC(C)(C)[NH3+])C[NH2+]1 ZINC000892293517 582829332 /nfs/dbraw/zinc/82/93/32/582829332.db2.gz FRYDWSCRZXRFPU-NXEZZACHSA-N 2 0 242.367 0.554 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892434695 582887095 /nfs/dbraw/zinc/88/70/95/582887095.db2.gz OBPHLPTZWYTEMW-XYPYZODXSA-N 2 0 242.367 0.494 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892454442 582891193 /nfs/dbraw/zinc/89/11/93/582891193.db2.gz SVECHKNYGSBMKI-BMQDGWLCSA-N 2 0 240.351 0.341 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892568528 582915404 /nfs/dbraw/zinc/91/54/04/582915404.db2.gz VOBARFZEAFFASN-VLEAKVRGSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C[NH2+]1 ZINC000892568477 582915774 /nfs/dbraw/zinc/91/57/74/582915774.db2.gz UFIQUWKVKVZHSI-LMLFDSFASA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@H](C)C[NH2+]1 ZINC000892568476 582915832 /nfs/dbraw/zinc/91/58/32/582915832.db2.gz UFIQUWKVKVZHSI-GWOFURMSSA-N 2 0 240.351 0.116 20 0 BCADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)COC(C)=O)C1 ZINC000892614505 582930098 /nfs/dbraw/zinc/93/00/98/582930098.db2.gz QWBAFPOKXFTCOO-CMPLNLGQSA-N 2 0 228.336 0.869 20 0 BCADRP CC(=O)OC[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000892741532 582974071 /nfs/dbraw/zinc/97/40/71/582974071.db2.gz RBHNKERAKLOFEV-SNVBAGLBSA-N 2 0 216.325 0.869 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000394608490 582996713 /nfs/dbraw/zinc/99/67/13/582996713.db2.gz RBRVVGJTQAATFE-FRRDWIJNSA-N 2 0 242.363 0.600 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)NCCC[NH2+]C1CC1 ZINC000852895345 583022581 /nfs/dbraw/zinc/02/25/81/583022581.db2.gz XWSZNJOTMUEALQ-UHFFFAOYSA-N 2 0 237.347 0.555 20 0 BCADRP C[NH+](C)CCCNC(=O)CCCCC[NH3+] ZINC000019519152 583106609 /nfs/dbraw/zinc/10/66/09/583106609.db2.gz XZCSIEMNBDDESJ-UHFFFAOYSA-N 2 0 215.341 0.573 20 0 BCADRP COc1ccc([C@H]2C[NH2+]CCN2CCC[NH3+])cc1 ZINC000147045046 583154456 /nfs/dbraw/zinc/15/44/56/583154456.db2.gz CWZIWNDUTOUPEW-CQSZACIVSA-N 2 0 249.358 0.990 20 0 BCADRP CCn1ncc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000857084417 588886495 /nfs/dbraw/zinc/88/64/95/588886495.db2.gz SBLMHZKKAGSMIT-UHTWSYAYSA-N 2 0 249.362 0.857 20 0 BCADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C[C@@H]1CC[NH2+]C1)C2 ZINC000857009011 588881780 /nfs/dbraw/zinc/88/17/80/588881780.db2.gz SSXKAHZAPFIOHR-DMDPSCGWSA-N 2 0 237.347 0.326 20 0 BCADRP CCn1ncc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000857084697 588886291 /nfs/dbraw/zinc/88/62/91/588886291.db2.gz XWOVINBMRGDXTD-WDEREUQCSA-N 2 0 237.351 0.857 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC000893888573 583243698 /nfs/dbraw/zinc/24/36/98/583243698.db2.gz KCDFASLAQIKBFM-QWHCGFSZSA-N 2 0 224.348 0.642 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000857103362 588887929 /nfs/dbraw/zinc/88/79/29/588887929.db2.gz HBIIHCLIWJYBBK-UWVGGRQHSA-N 2 0 228.340 0.165 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000857107126 588888069 /nfs/dbraw/zinc/88/80/69/588888069.db2.gz LRUYFCMXLBYXKG-DCAQKATOSA-N 2 0 242.367 0.350 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000857107073 588888073 /nfs/dbraw/zinc/88/80/73/588888073.db2.gz KBGVJVUDQSPCRB-IVZWLZJFSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000857107262 588888089 /nfs/dbraw/zinc/88/80/89/588888089.db2.gz PTFLWEWKPWEXNU-QWRGUYRKSA-N 2 0 242.367 0.494 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000857104776 588888094 /nfs/dbraw/zinc/88/80/94/588888094.db2.gz XHDIVKBSSLBLRP-VHSXEESVSA-N 2 0 228.340 0.023 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000857106789 588888105 /nfs/dbraw/zinc/88/81/05/588888105.db2.gz AALNMQFHLGEMAZ-GARJFASQSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000857107344 588888188 /nfs/dbraw/zinc/88/81/88/588888188.db2.gz RVSFBBMCKFMXQT-AXFHLTTASA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000857107540 588888418 /nfs/dbraw/zinc/88/84/18/588888418.db2.gz YGMFPHIGCMTHBP-VHSXEESVSA-N 2 0 228.340 0.104 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCC[C@H](C)[NH3+] ZINC000857107358 588888685 /nfs/dbraw/zinc/88/86/85/588888685.db2.gz SLBGVOLSYNJOKA-QWRGUYRKSA-N 2 0 244.383 0.739 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000857107523 588888762 /nfs/dbraw/zinc/88/87/62/588888762.db2.gz XQKRMOKKNJUFQM-GARJFASQSA-N 2 0 242.367 0.493 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877188125 583303264 /nfs/dbraw/zinc/30/32/64/583303264.db2.gz POJWSROMGKIHAL-URAGZPLESA-N 2 0 237.347 0.467 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1CCCC[NH2+]1)C2 ZINC000877379753 583312304 /nfs/dbraw/zinc/31/23/04/583312304.db2.gz MAVLSZWWBWBOPS-GMXVVIOVSA-N 2 0 237.347 0.196 20 0 BCADRP CC[NH2+]CC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000841848977 583364487 /nfs/dbraw/zinc/36/44/87/583364487.db2.gz YWAVBXWGQBDWLR-LLVKDONJSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000894253490 583393546 /nfs/dbraw/zinc/39/35/46/583393546.db2.gz KEUAHBPCGJZYEH-PWSUYJOCSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]1CCNC(=O)[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000894253487 583393578 /nfs/dbraw/zinc/39/35/78/583393578.db2.gz KEUAHBPCGJZYEH-JQWIXIFHSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)C[C@H]([NH3+])C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414843233 583413895 /nfs/dbraw/zinc/41/38/95/583413895.db2.gz CAMQUHOWPFCRMK-NEPJUHHUSA-N 3 0 213.369 0.949 20 0 BCADRP C[C@@H]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)C[C@@H]1C[NH3+] ZINC000841856927 583435759 /nfs/dbraw/zinc/43/57/59/583435759.db2.gz QOWXSQAGCQMXAN-ADEWGFFLSA-N 2 0 239.363 0.557 20 0 BCADRP CNC(=O)CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C ZINC000880141440 583474445 /nfs/dbraw/zinc/47/44/45/583474445.db2.gz IMXODQIAWMGENI-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]1[C@H](O)CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894753161 583515991 /nfs/dbraw/zinc/51/59/91/583515991.db2.gz JOOZYQFCIZUCBR-ZYHUDNBSSA-N 2 0 212.337 0.783 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@H]2C[C@@](C)(O)C2)CC1 ZINC000894956242 583559475 /nfs/dbraw/zinc/55/94/75/583559475.db2.gz VDJAEPVHMDFEAF-TXEJJXNPSA-N 2 0 212.337 0.831 20 0 BCADRP C[N@H+](CC1CC[NH+](C)CC1)C1(CO)CC1 ZINC000895475393 583679705 /nfs/dbraw/zinc/67/97/05/583679705.db2.gz HKSUHWMTTGWJPF-UHFFFAOYSA-N 2 0 212.337 0.785 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CCCN(C=O)CC2)CC1 ZINC000895473322 583679711 /nfs/dbraw/zinc/67/97/11/583679711.db2.gz MTEWRUSSUIKLPF-UHFFFAOYSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C ZINC000895681343 583709154 /nfs/dbraw/zinc/70/91/54/583709154.db2.gz QXAWJLWWGDJWLV-QWRGUYRKSA-N 2 0 241.379 0.926 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883441095 583813681 /nfs/dbraw/zinc/81/36/81/583813681.db2.gz HDMHIETTZDRYLX-WUHRBBMRSA-N 2 0 241.354 0.855 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)CC[NH2+]CC1CC1 ZINC000870948684 583932101 /nfs/dbraw/zinc/93/21/01/583932101.db2.gz YFGLPHSNQDIGDX-JTQLQIEISA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870941732 583932164 /nfs/dbraw/zinc/93/21/64/583932164.db2.gz YZRCVAJRFXTUFK-WISYIIOYSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000870963973 583932483 /nfs/dbraw/zinc/93/24/83/583932483.db2.gz VPOWOTUNOOAVON-ZDDJMSTPSA-N 2 0 237.347 0.371 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)NCC[NH+](C)C)C1 ZINC000897441307 583984880 /nfs/dbraw/zinc/98/48/80/583984880.db2.gz BZIXPEBRANEEDA-NSHDSACASA-N 2 0 242.367 0.189 20 0 BCADRP [NH3+]CCCOCC[NH2+]C[C@H]1CCCOC1 ZINC000863484733 583992304 /nfs/dbraw/zinc/99/23/04/583992304.db2.gz LEFGQPBPCPGPGX-LLVKDONJSA-N 2 0 216.325 0.368 20 0 BCADRP C[C@H](CNc1cc[nH+]c(CO)c1)[NH+](C)C ZINC000858363990 588948772 /nfs/dbraw/zinc/94/87/72/588948772.db2.gz BSELNNKIGMPNCF-SECBINFHSA-N 2 0 209.293 0.936 20 0 BCADRP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000897826439 584051909 /nfs/dbraw/zinc/05/19/09/584051909.db2.gz XPIXCAWIOGATKP-IJLUTSLNSA-N 2 0 237.347 0.243 20 0 BCADRP Cn1cnc(CCNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000897952597 584063585 /nfs/dbraw/zinc/06/35/85/584063585.db2.gz KARJMULFUUBXMO-LLVKDONJSA-N 2 0 236.319 0.173 20 0 BCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn[nH]c1 ZINC000730109712 584123906 /nfs/dbraw/zinc/12/39/06/584123906.db2.gz VWFQEGYOHXGVFE-LLVKDONJSA-N 2 0 237.351 0.135 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C[C@@]13C[C@@H]1C[NH2+]C3)C2 ZINC000873229003 584127383 /nfs/dbraw/zinc/12/73/83/584127383.db2.gz NCPIPXJECHHEHM-XQHKEYJVSA-N 2 0 221.348 0.137 20 0 BCADRP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)C1C[NH2+]C1 ZINC000873238621 584128308 /nfs/dbraw/zinc/12/83/08/584128308.db2.gz CTHBXYISQRAUDE-SSUWSLHESA-N 2 0 222.332 0.607 20 0 BCADRP C[C@H](C(=O)N1CC([NH+]2CCCC2)C1)[NH+](C)C ZINC000898598845 584144653 /nfs/dbraw/zinc/14/46/53/584144653.db2.gz DCPJEMNKYSSBSN-SNVBAGLBSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H](NC(=[NH2+])NCCNc1cc[nH+]cc1)C1CC1 ZINC000899265200 584189760 /nfs/dbraw/zinc/18/97/60/584189760.db2.gz UIVQMRUBMQEEQQ-JTQLQIEISA-N 2 0 247.346 0.828 20 0 BCADRP [NH3+]CCc1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000899740398 584233950 /nfs/dbraw/zinc/23/39/50/584233950.db2.gz GXMDVHRUVAKFAY-JTQLQIEISA-N 2 0 223.324 0.169 20 0 BCADRP CC[NH+](CC)CCC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000899859922 584242805 /nfs/dbraw/zinc/24/28/05/584242805.db2.gz NFVGVJVEBHJAHU-GFCCVEGCSA-N 2 0 244.379 0.584 20 0 BCADRP O[C@H](C[NH2+]CCCn1ccnc1)C1(O)CCC1 ZINC000899856489 584243936 /nfs/dbraw/zinc/24/39/36/584243936.db2.gz USUJXBSVUJIGAO-LLVKDONJSA-N 2 0 239.319 0.139 20 0 BCADRP C[NH+]1CCC2(CC[N@@H+]2C[C@H](O)C2CC2)CC1 ZINC000899909405 584249464 /nfs/dbraw/zinc/24/94/64/584249464.db2.gz BGPWIWWUYIDKBQ-LBPRGKRZSA-N 2 0 224.348 0.927 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900305723 584293167 /nfs/dbraw/zinc/29/31/67/584293167.db2.gz LFAFQVJSVYCOTK-LLVKDONJSA-N 2 0 237.347 0.150 20 0 BCADRP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000900366919 584296899 /nfs/dbraw/zinc/29/68/99/584296899.db2.gz IWWPEDWVBVVVAM-UHFFFAOYSA-N 2 0 237.347 0.293 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)Cc1c[nH]cn1 ZINC000900694788 584338747 /nfs/dbraw/zinc/33/87/47/584338747.db2.gz JDTNQVVZJNESKO-SNVBAGLBSA-N 2 0 238.335 0.799 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000900694847 584338752 /nfs/dbraw/zinc/33/87/52/584338752.db2.gz KUFJLGTUSKRGJF-NSHDSACASA-N 2 0 237.347 0.293 20 0 BCADRP CC[N@@H+]1CCN(C(=O)Cc2cnc[nH]2)C[C@@H]1C ZINC000901198011 584397736 /nfs/dbraw/zinc/39/77/36/584397736.db2.gz FWZVBQGUCFGULQ-JTQLQIEISA-N 2 0 236.319 0.505 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)C12CC[NH+](CC1)C2 ZINC000901327664 584423849 /nfs/dbraw/zinc/42/38/49/584423849.db2.gz STOALAKZRXVQLW-UHFFFAOYSA-N 2 0 239.363 0.492 20 0 BCADRP C[NH+](C)C[C@@H](O)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902365343 584573484 /nfs/dbraw/zinc/57/34/84/584573484.db2.gz ZGRIWBZLOIEINE-NEPJUHHUSA-N 2 0 243.395 0.277 20 0 BCADRP CC1(C)C[C@@H](NCC2([NH3+])CC2)C[C@@H]([NH3+])C1 ZINC000902410195 584575298 /nfs/dbraw/zinc/57/52/98/584575298.db2.gz PXPULTFDPXYSLB-ZJUUUORDSA-N 2 0 211.353 0.973 20 0 BCADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000902409209 584575370 /nfs/dbraw/zinc/57/53/70/584575370.db2.gz JLHDVYZPUUKRMG-GARJFASQSA-N 3 0 209.337 0.455 20 0 BCADRP CC1(C)[C@@H](NCC2([NH3+])CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902408684 584575577 /nfs/dbraw/zinc/57/55/77/584575577.db2.gz DXGNHDIXWPMUAZ-VWYCJHECSA-N 2 0 223.364 0.844 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C/C=C\CO)C1 ZINC000902393063 584583257 /nfs/dbraw/zinc/58/32/57/584583257.db2.gz OJNFUPWZKGNVPA-BYCRGOAPSA-N 2 0 212.337 0.903 20 0 BCADRP C[NH2+]C[C@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902398919 584586251 /nfs/dbraw/zinc/58/62/51/584586251.db2.gz LYIKISKLEISASZ-WDEREUQCSA-N 2 0 213.369 0.962 20 0 BCADRP C[C@H]1C[C@H](NCC2([NH3+])CC2)C[N@@H+]1C1CC1 ZINC000902415581 584589431 /nfs/dbraw/zinc/58/94/31/584589431.db2.gz JILNTKMGHPVPGA-UWVGGRQHSA-N 2 0 209.337 0.693 20 0 BCADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCON ZINC000902416602 584590417 /nfs/dbraw/zinc/59/04/17/584590417.db2.gz UPUSDZWERDTNKD-WCQYABFASA-N 2 0 237.347 0.815 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000902441507 584597813 /nfs/dbraw/zinc/59/78/13/584597813.db2.gz DMELIQRMOQWSHN-QWRGUYRKSA-N 2 0 211.353 0.716 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CC[NH2+]C1(C)C ZINC000902444414 584598989 /nfs/dbraw/zinc/59/89/89/584598989.db2.gz NJZXWLVFQOUSKO-ZJUUUORDSA-N 2 0 211.353 0.715 20 0 BCADRP C[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000902472494 584601354 /nfs/dbraw/zinc/60/13/54/584601354.db2.gz BDWQMRZLTBCYIU-GRYCIOLGSA-N 2 0 209.337 0.563 20 0 BCADRP C[NH+]1CCC(N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000902447857 584604925 /nfs/dbraw/zinc/60/49/25/584604925.db2.gz WMHVCUYMMOSWNO-NSHDSACASA-N 2 0 211.353 0.668 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902450430 584606827 /nfs/dbraw/zinc/60/68/27/584606827.db2.gz DHFVAWNPHKSWEG-KPXOBLAASA-N 2 0 222.332 0.879 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902450419 584606881 /nfs/dbraw/zinc/60/68/81/584606881.db2.gz DHFVAWNPHKSWEG-DDPKUIBDSA-N 2 0 222.332 0.879 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902451573 584607236 /nfs/dbraw/zinc/60/72/36/584607236.db2.gz GPICTWZFJIVFOG-FQIARQCESA-N 2 0 240.347 0.506 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902452120 584607371 /nfs/dbraw/zinc/60/73/71/584607371.db2.gz IVYWIOMIVUMCKG-DJZSBQJZSA-N 2 0 222.332 0.892 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454286 584608672 /nfs/dbraw/zinc/60/86/72/584608672.db2.gz SDOGXZRGJFTHQI-VKIHYLLESA-N 2 0 208.305 0.632 20 0 BCADRP CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000902456217 584610237 /nfs/dbraw/zinc/61/02/37/584610237.db2.gz ODOCJKSWASNHHI-LNFKQOIKSA-N 2 0 216.325 0.506 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902460660 584611374 /nfs/dbraw/zinc/61/13/74/584611374.db2.gz IEBJETQWYGDTJQ-PREPNJAASA-N 2 0 209.337 0.467 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902460309 584611705 /nfs/dbraw/zinc/61/17/05/584611705.db2.gz GQEAVMQYZNFKJJ-RMPHRYRLSA-N 2 0 209.337 0.739 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902465611 584613649 /nfs/dbraw/zinc/61/36/49/584613649.db2.gz HLCMVSWISFISSM-NJMOYASZSA-N 2 0 223.364 0.986 20 0 BCADRP C[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902467636 584614528 /nfs/dbraw/zinc/61/45/28/584614528.db2.gz PXPGWJXIJJXXQR-MTVMDMGHSA-N 2 0 210.321 0.894 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466816 584614641 /nfs/dbraw/zinc/61/46/41/584614641.db2.gz NFKNZTYZHMWRSZ-PZWNZHSQSA-N 2 0 209.337 0.596 20 0 BCADRP C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1CCCC[NH2+]1 ZINC000902468847 584615275 /nfs/dbraw/zinc/61/52/75/584615275.db2.gz WTXUJTNNOVOKHJ-NJMOYASZSA-N 2 0 223.364 1.000 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468877 584615551 /nfs/dbraw/zinc/61/55/51/584615551.db2.gz XIHSDMYJGSSYQQ-WISYIIOYSA-N 2 0 211.353 0.986 20 0 BCADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cnccc1N ZINC000902490183 584617242 /nfs/dbraw/zinc/61/72/42/584617242.db2.gz UICNANQNKNOUJO-OPRDCNLKSA-N 2 0 220.320 0.882 20 0 BCADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CCN1C ZINC000902490057 584617566 /nfs/dbraw/zinc/61/75/66/584617566.db2.gz RHZLXOBFOKWXMO-DDHJBXDOSA-N 2 0 211.353 0.796 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902490791 584618104 /nfs/dbraw/zinc/61/81/04/584618104.db2.gz VRBDQYCLHCTAOT-FIQHERPVSA-N 3 0 211.353 0.701 20 0 BCADRP COC[C@@H](CCC[NH3+])NC[C@H]1CCCCC[NH2+]1 ZINC000902481602 584623840 /nfs/dbraw/zinc/62/38/40/584623840.db2.gz FNIAIDMPHYVKDF-CHWSQXEVSA-N 2 0 243.395 0.862 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903426051 584760960 /nfs/dbraw/zinc/76/09/60/584760960.db2.gz CYNWPLIXPUUTAH-GRYCIOLGSA-N 2 0 213.369 0.805 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000903439556 584762831 /nfs/dbraw/zinc/76/28/31/584762831.db2.gz KJTTVSTVJPWHAY-UTUOFQBUSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@@H](O)CC[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439934 584763223 /nfs/dbraw/zinc/76/32/23/584763223.db2.gz QUZZPVNYAJVTIO-MXWKQRLJSA-N 2 0 200.326 0.817 20 0 BCADRP COCCN1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903441251 584763301 /nfs/dbraw/zinc/76/33/01/584763301.db2.gz JOVJUTXQHSAPIF-OLZOCXBDSA-N 2 0 241.379 0.378 20 0 BCADRP CC(C)(C)[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(N)=O ZINC000903441571 584763777 /nfs/dbraw/zinc/76/37/77/584763777.db2.gz YUHLDYCUWKVNAK-KXUCPTDWSA-N 2 0 227.352 0.603 20 0 BCADRP CON1CC[C@H]([NH+]2CCC([C@H](C)[NH3+])CC2)C1=O ZINC000903423640 584764301 /nfs/dbraw/zinc/76/43/01/584764301.db2.gz ZBQLQCOBQAGXGJ-ONGXEEELSA-N 2 0 241.335 0.208 20 0 BCADRP C[NH2+][C@H]1CCCN(C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903423374 584764420 /nfs/dbraw/zinc/76/44/20/584764420.db2.gz SXCUFCTYNOPKET-WOPDTQHZSA-N 2 0 211.353 0.798 20 0 BCADRP CCCN(C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000903423541 584764449 /nfs/dbraw/zinc/76/44/49/584764449.db2.gz WIWBQHJDOISVJU-FRRDWIJNSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903422846 584764709 /nfs/dbraw/zinc/76/47/09/584764709.db2.gz JXXIFZDVLIUZFG-MDZLAQPJSA-N 3 0 225.380 0.901 20 0 BCADRP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903458611 584764996 /nfs/dbraw/zinc/76/49/96/584764996.db2.gz FOGSWXYYICUXQX-UTUOFQBUSA-N 2 0 222.336 0.989 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903460842 584766417 /nfs/dbraw/zinc/76/64/17/584766417.db2.gz JTOPBZDNRNYUEG-USZNOCQGSA-N 3 0 211.353 0.925 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000903464361 584767466 /nfs/dbraw/zinc/76/74/66/584767466.db2.gz KOARRHBQSIBWOL-LMLFDSFASA-N 2 0 215.316 0.213 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903447596 584770600 /nfs/dbraw/zinc/77/06/00/584770600.db2.gz YWPWNWWFZAZTGY-USZNOCQGSA-N 3 0 211.353 0.783 20 0 BCADRP C[C@H]1NCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000903449793 584771436 /nfs/dbraw/zinc/77/14/36/584771436.db2.gz GGNQKVJOUJRLSU-KXNHARMFSA-N 2 0 211.353 0.796 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000903449577 584771594 /nfs/dbraw/zinc/77/15/94/584771594.db2.gz VAYHKGPLXDBHLA-VXGBXAGGSA-N 2 0 209.337 0.424 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903451484 584771760 /nfs/dbraw/zinc/77/17/60/584771760.db2.gz AJIPEVTWGPUXGM-RHYQMDGZSA-N 2 0 229.343 0.746 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH2+][C@H](C)[C@@H]1C ZINC000903450160 584771956 /nfs/dbraw/zinc/77/19/56/584771956.db2.gz NFUSIDFFKXZTPY-WYUUTHIRSA-N 2 0 211.353 0.524 20 0 BCADRP CC[C@@H]1CN(C[C@@H]2C[NH2+]C[C@H]2C)CC[C@@H]1[NH3+] ZINC000903450464 584772168 /nfs/dbraw/zinc/77/21/68/584772168.db2.gz WLIYNHYITRJXQJ-NDBYEHHHSA-N 2 0 225.380 0.901 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@](C)(C[NH3+])C1 ZINC000903452475 584772312 /nfs/dbraw/zinc/77/23/12/584772312.db2.gz NCYAZAZXLXCCKW-WOPDTQHZSA-N 2 0 211.353 0.513 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H]1CCC[NH2+]1 ZINC000903452858 584772644 /nfs/dbraw/zinc/77/26/44/584772644.db2.gz SXPHWPDUAHRYER-AXFHLTTASA-N 2 0 215.316 0.370 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000903453892 584772782 /nfs/dbraw/zinc/77/27/82/584772782.db2.gz OORUURMJSGDWIR-QCNOEVLYSA-N 3 0 209.337 0.408 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000903453056 584772888 /nfs/dbraw/zinc/77/28/88/584772888.db2.gz XOVMBHNKAPZWHH-MROQNXINSA-N 2 0 223.364 0.526 20 0 BCADRP C[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@@H](O)C[NH3+] ZINC000903454244 584773432 /nfs/dbraw/zinc/77/34/32/584773432.db2.gz YADMXQACALPFCZ-LBPRGKRZSA-N 2 0 233.315 0.919 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[NH2+]CC1(C)C ZINC000903454796 584773524 /nfs/dbraw/zinc/77/35/24/584773524.db2.gz JRUFEDWLZCUCCJ-WOPDTQHZSA-N 2 0 225.380 0.820 20 0 BCADRP COC(=O)[C@H](C)C[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454847 584773561 /nfs/dbraw/zinc/77/35/61/584773561.db2.gz KSYOMYZVIHGZAB-MXWKQRLJSA-N 2 0 228.336 0.855 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000903456058 584773888 /nfs/dbraw/zinc/77/38/88/584773888.db2.gz DRDJKBGHVWQZKH-MNOVXSKESA-N 2 0 239.363 0.572 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000903475986 584776530 /nfs/dbraw/zinc/77/65/30/584776530.db2.gz JREZFYUGUAOMMQ-UTUOFQBUSA-N 2 0 209.337 0.565 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000903476026 584776700 /nfs/dbraw/zinc/77/67/00/584776700.db2.gz LCFWJQCHGNSJRR-VOAKCMCISA-N 2 0 223.364 0.668 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000903475767 584776719 /nfs/dbraw/zinc/77/67/19/584776719.db2.gz CJYXQSDKJQRUSK-GRYCIOLGSA-N 2 0 226.364 0.935 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000903476025 584777011 /nfs/dbraw/zinc/77/70/11/584777011.db2.gz LCFWJQCHGNSJRR-MROQNXINSA-N 2 0 223.364 0.668 20 0 BCADRP CO[C@@H]1COCC[C@H]1[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903481810 584778189 /nfs/dbraw/zinc/77/81/89/584778189.db2.gz NKMGCWZDCUAFJH-YVECIDJPSA-N 2 0 242.363 0.578 20 0 BCADRP [NH3+]CCOCCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000903483484 584779257 /nfs/dbraw/zinc/77/92/57/584779257.db2.gz HTOHOMOTISPLDW-LLVKDONJSA-N 2 0 227.352 0.226 20 0 BCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CC[NH3+] ZINC000903499663 584779987 /nfs/dbraw/zinc/77/99/87/584779987.db2.gz XUHGLVHJMOJUCC-IJLUTSLNSA-N 2 0 239.363 0.524 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499665 584780270 /nfs/dbraw/zinc/78/02/70/584780270.db2.gz LKZVWANJFJLVTI-VXGBXAGGSA-N 2 0 241.379 0.772 20 0 BCADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC1CC1)C2 ZINC000903492597 584780869 /nfs/dbraw/zinc/78/08/69/584780869.db2.gz GUDDUJITMVPDNQ-LOWVWBTDSA-N 2 0 238.331 0.609 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903494953 584780885 /nfs/dbraw/zinc/78/08/85/584780885.db2.gz SHMITKQRIDHPNB-GRYCIOLGSA-N 3 0 211.353 0.513 20 0 BCADRP Cc1nc([C@@H]2CC[N@H+](CCOCC[NH3+])C2)no1 ZINC000903490700 584780920 /nfs/dbraw/zinc/78/09/20/584780920.db2.gz DYMDVHGMWHIUEO-SNVBAGLBSA-N 2 0 240.307 0.143 20 0 BCADRP CC[C@H](C)[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492886 584781086 /nfs/dbraw/zinc/78/10/86/584781086.db2.gz KRAKRBFRIVWXQA-KQXIARHKSA-N 2 0 240.347 0.997 20 0 BCADRP [NH3+][C@@H]1CN(C[C@H]2CC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000903514966 584781468 /nfs/dbraw/zinc/78/14/68/584781468.db2.gz ZYTWPKVWOMETJS-DJLDLDEBSA-N 2 0 237.269 0.417 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000903717298 584792071 /nfs/dbraw/zinc/79/20/71/584792071.db2.gz MRGCKBWGUAXNDY-RWMBFGLXSA-N 2 0 241.379 0.424 20 0 BCADRP C[C@](C[NH3+])(NC[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000903717336 584792133 /nfs/dbraw/zinc/79/21/33/584792133.db2.gz NSKYVOYPVSCGID-QWHCGFSZSA-N 2 0 241.379 0.160 20 0 BCADRP C[N@H+](CCC[NH3+])C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717146 584792284 /nfs/dbraw/zinc/79/22/84/584792284.db2.gz HRIVNARVWDTZTP-LBPRGKRZSA-N 3 0 241.379 0.426 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000903717299 584792438 /nfs/dbraw/zinc/79/24/38/584792438.db2.gz MRGCKBWGUAXNDY-XQQFMLRXSA-N 2 0 241.379 0.424 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000903717297 584792487 /nfs/dbraw/zinc/79/24/87/584792487.db2.gz MRGCKBWGUAXNDY-AVGNSLFASA-N 2 0 241.379 0.424 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000903716219 584793994 /nfs/dbraw/zinc/79/39/94/584793994.db2.gz JSHICFGPGSUYLA-GRYCIOLGSA-N 2 0 240.347 0.727 20 0 BCADRP C[NH2+]C[C@H]1CCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903715801 584794041 /nfs/dbraw/zinc/79/40/41/584794041.db2.gz ADUBNXSEPSDBBN-QWHCGFSZSA-N 2 0 225.380 0.917 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000903716050 584794289 /nfs/dbraw/zinc/79/42/89/584794289.db2.gz GWIKKUGYXPOWOS-NNYUYHANSA-N 2 0 240.347 0.855 20 0 BCADRP C([C@H]1CCCC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903746842 584794677 /nfs/dbraw/zinc/79/46/77/584794677.db2.gz MAKPLLFNDTYQGC-RWMBFGLXSA-N 2 0 223.364 0.527 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC[C@H](O)C[NH+]1CCCC1 ZINC000903752407 584795488 /nfs/dbraw/zinc/79/54/88/584795488.db2.gz NSEDUXUGDNMSKG-RYUDHWBXSA-N 2 0 243.395 0.406 20 0 BCADRP C[C@H]1CN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC[NH2+]1 ZINC000903751702 584795739 /nfs/dbraw/zinc/79/57/39/584795739.db2.gz LWYMPBCYEKCPEQ-YNEHKIRRSA-N 2 0 239.363 0.049 20 0 BCADRP OC[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903753067 584796023 /nfs/dbraw/zinc/79/60/23/584796023.db2.gz ZOMZHRSFTHTGBK-RWMBFGLXSA-N 2 0 240.347 0.212 20 0 BCADRP CC(C)(C)[C@H]([NH2+]C[C@H]1CCCC[NH2+]C1)C(N)=O ZINC000903734356 584796041 /nfs/dbraw/zinc/79/60/41/584796041.db2.gz XXOHIKWFKOPXEH-WDEREUQCSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903752749 584796204 /nfs/dbraw/zinc/79/62/04/584796204.db2.gz WGKINCIQGUGJFB-CYDGBPFRSA-N 2 0 239.363 0.177 20 0 BCADRP [NH3+]C[C@H]1CN(C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000903744391 584796837 /nfs/dbraw/zinc/79/68/37/584796837.db2.gz RSCAMENXVJQKEH-RYUDHWBXSA-N 2 0 227.352 0.036 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000903766930 584797244 /nfs/dbraw/zinc/79/72/44/584797244.db2.gz DEZJXJLAEXQWSZ-NNYUYHANSA-N 2 0 240.347 0.997 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000903763212 584797333 /nfs/dbraw/zinc/79/73/33/584797333.db2.gz INCXSWXBEPAWSJ-MLGHIDQZSA-N 2 0 240.347 0.650 20 0 BCADRP CC(C)(C[NH3+])C1CC[NH+](CCOCC[NH3+])CC1 ZINC000903790495 584798525 /nfs/dbraw/zinc/79/85/25/584798525.db2.gz LCZHBORJTFZBTG-UHFFFAOYSA-N 3 0 243.395 0.659 20 0 BCADRP C[C@H]([NH3+])CN(C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903775074 584798925 /nfs/dbraw/zinc/79/89/25/584798925.db2.gz HGNFZJKMCJGRAP-SRVKXCTJSA-N 2 0 227.352 0.034 20 0 BCADRP OC[C@H]1CCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903785506 584800304 /nfs/dbraw/zinc/80/03/04/584800304.db2.gz ZOMZHRSFTHTGBK-UPJWGTAASA-N 2 0 240.347 0.212 20 0 BCADRP [NH3+]CCOCCN1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903799989 584801277 /nfs/dbraw/zinc/80/12/77/584801277.db2.gz FUBCXGPVODSZNC-NEPJUHHUSA-N 2 0 227.352 0.165 20 0 BCADRP [NH3+]C[C@]12CC[C@H]1CCCN2C[C@H]1C[NH2+]CCO1 ZINC000903801471 584802037 /nfs/dbraw/zinc/80/20/37/584802037.db2.gz NPAFSTFMMDGMMB-JHJVBQTASA-N 2 0 239.363 0.178 20 0 BCADRP C[NH2+]CCCN1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903802284 584802373 /nfs/dbraw/zinc/80/23/73/584802373.db2.gz RNGCUZKTGHETHN-NEPJUHHUSA-N 2 0 211.353 0.799 20 0 BCADRP C[NH2+]CCCN(C)C1(C[NH3+])CCOCC1 ZINC000903808591 584803428 /nfs/dbraw/zinc/80/34/28/584803428.db2.gz ODCQQNYXGCGWRJ-UHFFFAOYSA-N 2 0 215.341 0.036 20 0 BCADRP [NH3+]CCCCCCC[N@@H+]1CCOC[C@@H]1CCO ZINC000903829326 584805488 /nfs/dbraw/zinc/80/54/88/584805488.db2.gz DCJSCTMSYAFPHG-ZDUSSCGKSA-N 2 0 244.379 0.979 20 0 BCADRP CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903829600 584805759 /nfs/dbraw/zinc/80/57/59/584805759.db2.gz IDNPGNGKQBRHPT-SDDRHHMPSA-N 2 0 240.347 0.474 20 0 BCADRP COCC[C@@H]1CNCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903838246 584806652 /nfs/dbraw/zinc/80/66/52/584806652.db2.gz AKFUOXKRLIFIHF-FRRDWIJNSA-N 2 0 241.379 0.424 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](O)[C@H](F)C2)C1 ZINC000903838837 584807213 /nfs/dbraw/zinc/80/72/13/584807213.db2.gz FXDAFMNPMABEOO-ZDCRXTMVSA-N 2 0 216.300 0.519 20 0 BCADRP O[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]1F ZINC000903839227 584807375 /nfs/dbraw/zinc/80/73/75/584807375.db2.gz JCXZKJIBYOWDCH-OUAUKWLOSA-N 2 0 216.300 0.391 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](O)[C@H](F)C2)C1 ZINC000903838835 584807421 /nfs/dbraw/zinc/80/74/21/584807421.db2.gz FXDAFMNPMABEOO-LNFKQOIKSA-N 2 0 216.300 0.519 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H](O)C(F)(F)F)C2 ZINC000903844030 584807489 /nfs/dbraw/zinc/80/74/89/584807489.db2.gz ZULHLLYEXIROOH-UYXSQOIJSA-N 2 0 238.253 0.721 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000903842965 584807668 /nfs/dbraw/zinc/80/76/68/584807668.db2.gz YWHJGLPTXDOVSE-XQHKEYJVSA-N 3 0 223.364 0.798 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000903842962 584807685 /nfs/dbraw/zinc/80/76/85/584807685.db2.gz YWHJGLPTXDOVSE-CYDGBPFRSA-N 3 0 223.364 0.798 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H](O)C(F)(F)F)C2 ZINC000903844028 584807751 /nfs/dbraw/zinc/80/77/51/584807751.db2.gz ZULHLLYEXIROOH-JBDRJPRFSA-N 2 0 238.253 0.721 20 0 BCADRP CC(C)NC(=O)CN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856073 584809528 /nfs/dbraw/zinc/80/95/28/584809528.db2.gz QFMFCMBBMSARMP-PWSUYJOCSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903858909 584810868 /nfs/dbraw/zinc/81/08/68/584810868.db2.gz KCGKBJLTEKYPFH-XQHKEYJVSA-N 2 0 223.364 0.655 20 0 BCADRP [NH3+]C[C@]12CC[C@H]1CCN2C[C@H]1CCC[NH2+]1 ZINC000903861445 584811587 /nfs/dbraw/zinc/81/15/87/584811587.db2.gz XFCZYOKBVSKCJE-QJPTWQEYSA-N 2 0 209.337 0.552 20 0 BCADRP CCOCC[C@H](O)CN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903864699 584813430 /nfs/dbraw/zinc/81/34/30/584813430.db2.gz VTLQPFWAVUEKFQ-AVGNSLFASA-N 2 0 242.363 0.587 20 0 BCADRP C(C[NH2+]C1CC1)CN1CCC[C@]12CC[NH2+]C2 ZINC000903869088 584814095 /nfs/dbraw/zinc/81/40/95/584814095.db2.gz BCMNYCQCRZCMMA-CYBMUJFWSA-N 2 0 223.364 0.956 20 0 BCADRP C(C[N@@H+]1CCC[C@]12CC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000903869887 584814778 /nfs/dbraw/zinc/81/47/78/584814778.db2.gz KFVOMNYXKXYLHL-CHWSQXEVSA-N 3 0 223.364 0.814 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@]12CC[NH2+]C2 ZINC000903870690 584814897 /nfs/dbraw/zinc/81/48/97/584814897.db2.gz PIWNNDBZDNYRAG-FRRDWIJNSA-N 2 0 223.364 0.670 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN1CCC[C@H]([NH3+])C1 ZINC000903873108 584815121 /nfs/dbraw/zinc/81/51/21/584815121.db2.gz FQMWAMXXVUQJLJ-YUMQZZPRSA-N 2 0 207.268 0.392 20 0 BCADRP CN(C[C@H]([NH3+])CC(F)F)C1CC[NH2+]CC1 ZINC000903873459 584815784 /nfs/dbraw/zinc/81/57/84/584815784.db2.gz IDHIUQIXNOMPLZ-MRVPVSSYSA-N 2 0 221.295 0.653 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(C[C@H]([NH3+])CC(F)F)CCO1 ZINC000903873912 584815875 /nfs/dbraw/zinc/81/58/75/584815875.db2.gz NZGOUFFRTZORFF-YIZRAAEISA-N 2 0 237.294 0.017 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903874265 584816082 /nfs/dbraw/zinc/81/60/82/584816082.db2.gz WQRIBXWYJXNXFI-DJLDLDEBSA-N 2 0 221.295 0.638 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C[C@H]([NH3+])CC(F)F ZINC000903873684 584816215 /nfs/dbraw/zinc/81/62/15/584816215.db2.gz KEZGGJQHBAVCOQ-RKDXNWHRSA-N 2 0 221.295 0.653 20 0 BCADRP CC(C)N(CCO)C[C@H]([NH3+])CC(F)F ZINC000903876739 584816794 /nfs/dbraw/zinc/81/67/94/584816794.db2.gz HWMJVVPKSMCVGP-MRVPVSSYSA-N 2 0 210.268 0.672 20 0 BCADRP CC[C@@H]1C(=O)NCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903882022 584817891 /nfs/dbraw/zinc/81/78/91/584817891.db2.gz JHNPGMBICFPHMV-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@]1(C2CC2)COCC[N@@H+]1CCOCC[NH3+] ZINC000903883352 584818205 /nfs/dbraw/zinc/81/82/05/584818205.db2.gz WIGAMOBBMVVWLL-LBPRGKRZSA-N 2 0 228.336 0.463 20 0 BCADRP COC[C@@H]1C[NH2+]CCN1CCC[NH2+]C1CC1 ZINC000903883173 584818450 /nfs/dbraw/zinc/81/84/50/584818450.db2.gz UNOCCUSGNJRUTK-LBPRGKRZSA-N 2 0 227.352 0.049 20 0 BCADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C[C@@H]([NH3+])CC(F)F ZINC000903915013 584819265 /nfs/dbraw/zinc/81/92/65/584819265.db2.gz XDLOHIZMAFBCKW-BBBLOLIVSA-N 2 0 235.322 0.993 20 0 BCADRP CNC(=O)[C@H](C)CN(C)C[C@@H]([NH3+])CC(F)F ZINC000903898151 584819970 /nfs/dbraw/zinc/81/99/70/584819970.db2.gz JUMFFIXZGRROPV-SFYZADRCSA-N 2 0 237.294 0.283 20 0 BCADRP CC1([NH3+])CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903905618 584820994 /nfs/dbraw/zinc/82/09/94/584820994.db2.gz KADCFMYKZPXYLF-QMMMGPOBSA-N 2 0 221.295 0.782 20 0 BCADRP C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)[C@@H](C)C[N@@H+]1C ZINC000903908197 584821912 /nfs/dbraw/zinc/82/19/12/584821912.db2.gz FUSQNSIKRWWQDZ-KXUCPTDWSA-N 2 0 235.322 0.993 20 0 BCADRP [NH3+][C@H](CN[C@H]1CCC[NH2+]C1)CC(F)F ZINC000903918496 584822310 /nfs/dbraw/zinc/82/23/10/584822310.db2.gz ANEPSSGYEDILQA-YUMQZZPRSA-N 2 0 207.268 0.311 20 0 BCADRP CN(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1C[NH2+]C1 ZINC000903918431 584822406 /nfs/dbraw/zinc/82/24/06/584822406.db2.gz ZJCDEZFZZCLLQE-FGWVZKOKSA-N 2 0 209.337 0.421 20 0 BCADRP OC[C@@]1(F)CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903918470 584822428 /nfs/dbraw/zinc/82/24/28/584822428.db2.gz ZZOAUAWMGSJTQN-PSEXLTFBSA-N 2 0 242.338 0.923 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@H]([NH3+])CC(F)F ZINC000903918770 584822945 /nfs/dbraw/zinc/82/29/45/584822945.db2.gz HLDIBAJFSNLSEK-RNJXMRFFSA-N 2 0 207.268 0.390 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC[C@H]([NH3+])CC(F)F ZINC000903934211 584825195 /nfs/dbraw/zinc/82/51/95/584825195.db2.gz DRCFMRSKFQUWMJ-HRDYMLBCSA-N 2 0 221.295 0.699 20 0 BCADRP C[C@H](NC[C@@H]([NH3+])CC(F)F)[C@H]1CCC[NH2+]C1 ZINC000903917767 584826833 /nfs/dbraw/zinc/82/68/33/584826833.db2.gz NHCZYZTZXZILJT-GUBZILKMSA-N 2 0 235.322 0.947 20 0 BCADRP CN(C[C@H]([NH3+])CC(F)F)C1(C[NH3+])CCC1 ZINC000903918294 584827004 /nfs/dbraw/zinc/82/70/04/584827004.db2.gz WHVOAXSDSZCCFI-MRVPVSSYSA-N 2 0 221.295 0.782 20 0 BCADRP C[C@H](NC[C@H]([NH3+])CC(F)F)[C@H]1CCC[NH2+]C1 ZINC000903917769 584827109 /nfs/dbraw/zinc/82/71/09/584827109.db2.gz NHCZYZTZXZILJT-LPEHRKFASA-N 2 0 235.322 0.947 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903916137 584827315 /nfs/dbraw/zinc/82/73/15/584827315.db2.gz FMXBCXRBSDJNNS-ZZIFITQXSA-N 2 0 223.364 0.939 20 0 BCADRP CCC1([NH3+])CCN(C[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC000903948172 584830451 /nfs/dbraw/zinc/83/04/51/584830451.db2.gz MMUJSLWYPSCXKM-NWDGAFQWSA-N 2 0 223.364 0.799 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](NCc2cc(N)cc[nH+]2)C1 ZINC000903953318 584831555 /nfs/dbraw/zinc/83/15/55/584831555.db2.gz CXOMEEKTLAHJJX-GXSJLCMTSA-N 2 0 220.320 0.751 20 0 BCADRP C[C@]1(CNC[C@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000903956107 584832283 /nfs/dbraw/zinc/83/22/83/584832283.db2.gz GZSHFWDQWBBXHW-MNOVXSKESA-N 2 0 247.333 0.820 20 0 BCADRP FC1(F)CC[NH2+]C[C@H]1CNC1CC[NH2+]CC1 ZINC000903956123 584832364 /nfs/dbraw/zinc/83/23/64/584832364.db2.gz HGFPMXIJIMCWOS-VIFPVBQESA-N 2 0 233.306 0.573 20 0 BCADRP C[C@@H]1C[N@H+](CC2(C[NH3+])CC2)C[C@H]1CC[NH3+] ZINC000903978586 584832861 /nfs/dbraw/zinc/83/28/61/584832861.db2.gz SNDDDQNQWPIQQO-GHMZBOCLSA-N 3 0 211.353 0.642 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cnc(N)cn1 ZINC000903978494 584833096 /nfs/dbraw/zinc/83/30/96/584833096.db2.gz HIYSTUDZFKTGAY-NXEZZACHSA-N 2 0 235.335 0.394 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903964617 584833913 /nfs/dbraw/zinc/83/39/13/584833913.db2.gz RWBXCNMIDPFHBY-JVGWCMFKSA-N 3 0 223.364 0.715 20 0 BCADRP C[C@@H](C[C@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000903964717 584834080 /nfs/dbraw/zinc/83/40/80/584834080.db2.gz UIRGJRRLVYESOA-WRWGMCAJSA-N 2 0 211.353 0.715 20 0 BCADRP COC[C@H](C)C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903966742 584834723 /nfs/dbraw/zinc/83/47/23/584834723.db2.gz ATJKHLCYMNVPPD-GMTAPVOTSA-N 2 0 200.326 0.714 20 0 BCADRP CC(C)[C@H](C[NH3+])CNC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967484 584835151 /nfs/dbraw/zinc/83/51/51/584835151.db2.gz JYPSKCQXQFJMDO-UTUOFQBUSA-N 2 0 213.369 0.662 20 0 BCADRP CC1(C)CN(CC23CC(C2)C[NH2+]3)C[C@@H]1[NH3+] ZINC000903986936 584835580 /nfs/dbraw/zinc/83/55/80/584835580.db2.gz UASQNEQHYFMKSN-YZRBJQDESA-N 2 0 209.337 0.408 20 0 BCADRP C[NH2+][C@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904298538 584860154 /nfs/dbraw/zinc/86/01/54/584860154.db2.gz WJWJNICXGJVUFE-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@H](N)[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904299669 584860543 /nfs/dbraw/zinc/86/05/43/584860543.db2.gz LJRRUPYBYRQIKY-YFKTTZPYSA-N 2 0 211.353 0.925 20 0 BCADRP C[C@@H](N)[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904299668 584860881 /nfs/dbraw/zinc/86/08/81/584860881.db2.gz LJRRUPYBYRQIKY-WYUUTHIRSA-N 2 0 211.353 0.925 20 0 BCADRP CC(C)(C)CC[C@H]([NH3+])CN1CC[C@@H](C(N)=O)C1 ZINC000904301290 584861057 /nfs/dbraw/zinc/86/10/57/584861057.db2.gz DCQQMVXWMIQKTC-MNOVXSKESA-N 2 0 241.379 0.947 20 0 BCADRP [NH3+][C@H]1C[C@@H](CN(C2CC2)[C@@H]2CC[NH2+]C2)C1 ZINC000904300764 584861422 /nfs/dbraw/zinc/86/14/22/584861422.db2.gz AKOFSYJSBNFXQL-JFGNBEQYSA-N 2 0 209.337 0.550 20 0 BCADRP CC[C@@H]1CN(Cc2ccc(N)nn2)CC[C@@H]1[NH3+] ZINC000904302678 584861721 /nfs/dbraw/zinc/86/17/21/584861721.db2.gz YAYMRAUKDYULGP-KOLCDFICSA-N 2 0 235.335 0.618 20 0 BCADRP C[C@@]1(C[N@H+](CCO)C2CC2)CCC[NH2+]C1 ZINC000904308647 584862815 /nfs/dbraw/zinc/86/28/15/584862815.db2.gz UJVGBLGIVFISNW-GFCCVEGCSA-N 2 0 212.337 0.833 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904310213 584863077 /nfs/dbraw/zinc/86/30/77/584863077.db2.gz YBLZQTHEZPYIFW-YPMHNXCESA-N 2 0 240.347 0.871 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)C1 ZINC000904314433 584863288 /nfs/dbraw/zinc/86/32/88/584863288.db2.gz XDGGQVVDYRGWDZ-WRWGMCAJSA-N 2 0 237.347 0.467 20 0 BCADRP Cn1cc(N2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)cn1 ZINC000904320077 584863822 /nfs/dbraw/zinc/86/38/22/584863822.db2.gz CROBPLFPAXFCFQ-TXEJJXNPSA-N 2 0 249.362 0.279 20 0 BCADRP CNC(=O)CC[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904316795 584864148 /nfs/dbraw/zinc/86/41/48/584864148.db2.gz TVHGJRXLEGSGOA-LBPRGKRZSA-N 2 0 227.352 0.444 20 0 BCADRP C[C@@]1(C[N@H+](CCO)CCCO)CCC[NH2+]C1 ZINC000904320502 584864311 /nfs/dbraw/zinc/86/43/11/584864311.db2.gz JNXSBJYSKVMUBP-GFCCVEGCSA-N 2 0 230.352 0.053 20 0 BCADRP CC(=O)N1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904322310 584864538 /nfs/dbraw/zinc/86/45/38/584864538.db2.gz WCOAMFPDMSDXKY-ZMLRMANQSA-N 2 0 225.336 0.276 20 0 BCADRP CC1(CO)CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904331463 584865995 /nfs/dbraw/zinc/86/59/95/584865995.db2.gz IGCHTRXOGUBWTQ-PHIMTYICSA-N 2 0 212.337 0.818 20 0 BCADRP C[C@@]1(CN2C[C@H]3C[NH2+]C[C@H]3C2)CCC[NH2+]C1 ZINC000904334559 584866389 /nfs/dbraw/zinc/86/63/89/584866389.db2.gz ZCDKXUMVEDYCQD-FRRDWIJNSA-N 2 0 223.364 0.527 20 0 BCADRP CC(C)(C)CC[C@H]([NH3+])CN1CCO[C@H](C[NH3+])C1 ZINC000904333226 584866483 /nfs/dbraw/zinc/86/64/83/584866483.db2.gz VIERVLVMHAYLQV-NWDGAFQWSA-N 2 0 243.395 0.800 20 0 BCADRP CC[N@H+](C[C@@H](O)C(F)(F)F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343765 584867915 /nfs/dbraw/zinc/86/79/15/584867915.db2.gz WKMQPKYUXOYVEX-HRDYMLBCSA-N 2 0 240.269 0.969 20 0 BCADRP CC[N@H+](CCOCCO)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345777 584868081 /nfs/dbraw/zinc/86/80/81/584868081.db2.gz NISLZMXYMMPOMP-PHIMTYICSA-N 2 0 216.325 0.055 20 0 BCADRP CCOCCOCC[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345756 584868123 /nfs/dbraw/zinc/86/81/23/584868123.db2.gz MVWAETSNRREDCU-TXEJJXNPSA-N 2 0 230.352 0.709 20 0 BCADRP CN1CCN(Cc2ccc(C[NH3+])cc2)[C@@H](C[NH3+])C1 ZINC000904350375 584868752 /nfs/dbraw/zinc/86/87/52/584868752.db2.gz JUNBXPUXWAKNOZ-AWEZNQCLSA-N 2 0 248.374 0.220 20 0 BCADRP [NH3+][C@H]1C[C@@H](CN2CC[NH2+]C[C@@H]2c2ccncc2)C1 ZINC000904350128 584868841 /nfs/dbraw/zinc/86/88/41/584868841.db2.gz GOMBUTNNAFFGMY-KWCYVHTRSA-N 2 0 246.358 0.765 20 0 BCADRP Nc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)nn1 ZINC000904349990 584868902 /nfs/dbraw/zinc/86/89/02/584868902.db2.gz FWVNXFWDRTZECZ-UHFFFAOYSA-N 2 0 247.346 0.634 20 0 BCADRP [NH3+][C@H]1C[C@@H](CN2CC[NH2+]C[C@@H]2C(F)F)C1 ZINC000904350222 584868924 /nfs/dbraw/zinc/86/89/24/584868924.db2.gz IOMZKCWUNPUECG-HRDYMLBCSA-N 2 0 219.279 0.263 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000904349847 584869140 /nfs/dbraw/zinc/86/91/40/584869140.db2.gz DEAFGCMIFNWSJE-WISYIIOYSA-N 3 0 209.337 0.408 20 0 BCADRP C[C@@H]1CN(Cc2ccc(C[NH3+])cc2)C[C@H]1[NH3+] ZINC000904351196 584869447 /nfs/dbraw/zinc/86/94/47/584869447.db2.gz WFSLOSUTLNEAHG-ZWNOBZJWSA-N 2 0 219.332 0.924 20 0 BCADRP [NH3+]CCN1CCC([NH2+]C[C@H]2CCCCN2)CC1 ZINC000904353041 584869909 /nfs/dbraw/zinc/86/99/09/584869909.db2.gz GTWSBWRZBDWLOB-CYBMUJFWSA-N 3 0 240.395 0.141 20 0 BCADRP COCC[NH2+]CCNCc1nccn1C1CC1 ZINC000904353037 584870009 /nfs/dbraw/zinc/87/00/09/584870009.db2.gz GRCXDCUXYPGFLP-UHFFFAOYSA-N 2 0 238.335 0.544 20 0 BCADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904354039 584870471 /nfs/dbraw/zinc/87/04/71/584870471.db2.gz URKZWXAWYMIFEH-SNVBAGLBSA-N 3 0 207.321 0.830 20 0 BCADRP [NH3+]CCN1CCC([NH2+][C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000904354597 584870530 /nfs/dbraw/zinc/87/05/30/584870530.db2.gz HDLRXULABRPJFE-WCQYABFASA-N 3 0 240.395 0.127 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904354803 584870843 /nfs/dbraw/zinc/87/08/43/584870843.db2.gz GTPVGFOHWCXAKX-OUAUKWLOSA-N 3 0 211.353 0.701 20 0 BCADRP Nc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)nn1 ZINC000904355051 584870993 /nfs/dbraw/zinc/87/09/93/584870993.db2.gz MGDSYQWCBKUSCY-JTQLQIEISA-N 2 0 233.319 0.291 20 0 BCADRP [NH3+]CC1CC([NH2+]CCCOC[C@H]2CCCO2)C1 ZINC000904361048 584871913 /nfs/dbraw/zinc/87/19/13/584871913.db2.gz TXQZHIRERPICEY-WXRRBKDZSA-N 2 0 242.363 0.899 20 0 BCADRP [NH3+]CCN1CCC([NH2+][C@@H]2CCCC[NH2+]C2)CC1 ZINC000904357956 584872315 /nfs/dbraw/zinc/87/23/15/584872315.db2.gz FSFWKRXBQOJNOC-CYBMUJFWSA-N 3 0 240.395 0.141 20 0 BCADRP CN(C[C@H]([NH3+])CCC(C)(C)C)C[C@H](O)C[NH3+] ZINC000904358562 584872390 /nfs/dbraw/zinc/87/23/90/584872390.db2.gz PVGQTMMOAVPJNG-GHMZBOCLSA-N 2 0 231.384 0.391 20 0 BCADRP CCN(C)C(=O)[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904368981 584872634 /nfs/dbraw/zinc/87/26/34/584872634.db2.gz PBYHCJFXXHVAKT-BBBLOLIVSA-N 2 0 213.325 0.180 20 0 BCADRP Cc1c(C[NH2+]C2CC(C[NH3+])C2)cnn1C ZINC000904369090 584872712 /nfs/dbraw/zinc/87/27/12/584872712.db2.gz XKKFDHSSAZEZRM-UHFFFAOYSA-N 2 0 208.309 0.555 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)C1 ZINC000904370583 584873082 /nfs/dbraw/zinc/87/30/82/584873082.db2.gz BKLURZSUSKSFTK-USZNOCQGSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@H](CF)C2)C1 ZINC000904371300 584873118 /nfs/dbraw/zinc/87/31/18/584873118.db2.gz LYVRNWJKXDLUNP-KXUCPTDWSA-N 2 0 202.273 0.394 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)C1 ZINC000904370582 584873344 /nfs/dbraw/zinc/87/33/44/584873344.db2.gz BKLURZSUSKSFTK-KXNHARMFSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+]Cc1ccc(CN2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000904371765 584873365 /nfs/dbraw/zinc/87/33/65/584873365.db2.gz SSLDQJVGSIKURD-AWEZNQCLSA-N 2 0 249.358 0.695 20 0 BCADRP [NH3+]CC1CC([NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)C1 ZINC000904370986 584873425 /nfs/dbraw/zinc/87/34/25/584873425.db2.gz GYMFUSSZHHNIRA-MMVSWEMESA-N 2 0 237.347 0.467 20 0 BCADRP COC(=O)[C@]1(C)CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904372339 584873824 /nfs/dbraw/zinc/87/38/24/584873824.db2.gz BKSSEPNCTAGBOZ-NTZNESFSSA-N 2 0 240.347 0.999 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(N)nn1 ZINC000904388330 584874854 /nfs/dbraw/zinc/87/48/54/584874854.db2.gz GWTLQRMGALESPL-NXEZZACHSA-N 2 0 235.335 0.394 20 0 BCADRP c1cn(C2CC2)c(CN2CC[NH2+]CC[NH2+]CC2)n1 ZINC000904396125 584875322 /nfs/dbraw/zinc/87/53/22/584875322.db2.gz MBVNCLZPTGGIAX-UHFFFAOYSA-N 2 0 249.362 0.213 20 0 BCADRP Nc1ccc(C[NH+]2CCC(CC[NH3+])CC2)nn1 ZINC000904376460 584875905 /nfs/dbraw/zinc/87/59/05/584875905.db2.gz STAAILQTISAWBO-UHFFFAOYSA-N 2 0 235.335 0.620 20 0 BCADRP CCn1nccc1C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904378709 584875966 /nfs/dbraw/zinc/87/59/66/584875966.db2.gz JFBHZXWQAJYSDF-AOOOYVTPSA-N 2 0 208.309 0.730 20 0 BCADRP C[C@H]1CC[C@H]([NH2+]C2CCN(CC[NH3+])CC2)CN1 ZINC000904380645 584876637 /nfs/dbraw/zinc/87/66/37/584876637.db2.gz FQQUXOFLGFMBRM-AAEUAGOBSA-N 2 0 240.395 0.140 20 0 BCADRP C[C@]1(CNCC2([NH3+])CCOCC2)CCC[NH2+]C1 ZINC000904380737 584876727 /nfs/dbraw/zinc/87/67/27/584876727.db2.gz OTLFMEZLRDIVQO-LBPRGKRZSA-N 2 0 241.379 0.474 20 0 BCADRP CC1(C)OC[C@H]2C[C@]21[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904381310 584876783 /nfs/dbraw/zinc/87/67/83/584876783.db2.gz UDUDCSSYGXBINX-SVDPJWKOSA-N 2 0 210.321 0.881 20 0 BCADRP C[C@@]12COC[C@@H]1C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904379229 584876797 /nfs/dbraw/zinc/87/67/97/584876797.db2.gz RJFDCPHTXFWEGF-NNYUYHANSA-N 2 0 210.321 0.692 20 0 BCADRP C[C@]1(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]C1 ZINC000904384770 584877155 /nfs/dbraw/zinc/87/71/55/584877155.db2.gz NMBPWOQLCGHNEY-XQQFMLRXSA-N 2 0 223.364 0.812 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000904381814 584877475 /nfs/dbraw/zinc/87/74/75/584877475.db2.gz VFAXCMKLEDFQAF-JFGNBEQYSA-N 2 0 237.347 0.467 20 0 BCADRP CC1(C)C[C@H](O)C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904384957 584877498 /nfs/dbraw/zinc/87/74/98/584877498.db2.gz PVCUFABNVIKAQR-AXFHLTTASA-N 2 0 212.337 0.817 20 0 BCADRP CC(C)[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000904385178 584877768 /nfs/dbraw/zinc/87/77/68/584877768.db2.gz UNUYWRIZKDKJRG-FRRDWIJNSA-N 2 0 225.380 0.996 20 0 BCADRP CCC1([NH3+])CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904385713 584878018 /nfs/dbraw/zinc/87/80/18/584878018.db2.gz CLHUCVSAOKENGR-PHIMTYICSA-N 3 0 211.353 0.927 20 0 BCADRP COC[C@@H]([NH2+]C1CC(C[NH3+])C1)[C@H]1CCCOC1 ZINC000904385797 584878025 /nfs/dbraw/zinc/87/80/25/584878025.db2.gz GIBFOODPRHDUJD-PYNQCMFNSA-N 2 0 242.363 0.755 20 0 BCADRP C[C@]1(C[N@@H+]2CC[C@@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000904405954 584878393 /nfs/dbraw/zinc/87/83/93/584878393.db2.gz BIGIBZPWFUIRNF-NEPJUHHUSA-N 3 0 211.353 0.657 20 0 BCADRP CC(C)(C)[NH2+]CCN1CCC[C@]([NH3+])(CO)C1 ZINC000904406573 584878536 /nfs/dbraw/zinc/87/85/36/584878536.db2.gz HGVRSUDEZHGLBX-GFCCVEGCSA-N 2 0 229.368 0.160 20 0 BCADRP C[C@@]1(C[N@@H+]2CC[C@@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000904405957 584878555 /nfs/dbraw/zinc/87/85/55/584878555.db2.gz BIGIBZPWFUIRNF-VXGBXAGGSA-N 3 0 211.353 0.657 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000904405606 584878739 /nfs/dbraw/zinc/87/87/39/584878739.db2.gz KNQDSGQHINMIHY-LLVKDONJSA-N 2 0 245.330 0.900 20 0 BCADRP C[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)CC[C@@H]1C[NH3+] ZINC000904411309 584879861 /nfs/dbraw/zinc/87/98/61/584879861.db2.gz UKCLOKJQJZMKRN-BBBLOLIVSA-N 2 0 235.322 0.886 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1[NH3+] ZINC000904415385 584880039 /nfs/dbraw/zinc/88/00/39/584880039.db2.gz GUUMQBUJJWONIS-NOOOWODRSA-N 2 0 211.353 0.654 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@H]1[NH3+] ZINC000904415386 584880079 /nfs/dbraw/zinc/88/00/79/584880079.db2.gz GUUMQBUJJWONIS-WISYIIOYSA-N 2 0 211.353 0.654 20 0 BCADRP CC(C)[C@@H](C[NH3+])C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420738 584881919 /nfs/dbraw/zinc/88/19/19/584881919.db2.gz VNYLEMHRWNZWMK-RWMBFGLXSA-N 3 0 225.380 0.759 20 0 BCADRP C[C@]1(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC000904420709 584881994 /nfs/dbraw/zinc/88/19/94/584881994.db2.gz UQIRLNVYMSHBGK-XQQFMLRXSA-N 2 0 223.364 0.527 20 0 BCADRP CC1(C)[C@H](C(=O)NC2CCC([NH3+])CC2)C[C@@H]1[NH3+] ZINC000876517288 584885459 /nfs/dbraw/zinc/88/54/59/584885459.db2.gz MLBNZFOABGEQJJ-TVUZUIDESA-N 2 0 239.363 0.746 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CC[NH2+]CC1(C)C ZINC000876537934 584885885 /nfs/dbraw/zinc/88/58/85/584885885.db2.gz HVYLFSVZBZBMKF-ZJUUUORDSA-N 2 0 239.363 0.570 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CC[NH2+]CC1(C)C ZINC000876537933 584885980 /nfs/dbraw/zinc/88/59/80/584885980.db2.gz HVYLFSVZBZBMKF-VHSXEESVSA-N 2 0 239.363 0.570 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000876538796 584886107 /nfs/dbraw/zinc/88/61/07/584886107.db2.gz OGGCAQLCSDSEBD-BYIQDMNASA-N 2 0 225.336 0.252 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000876864207 584887474 /nfs/dbraw/zinc/88/74/74/584887474.db2.gz LCHSZDXUFSFUSL-RKDXNWHRSA-N 2 0 245.273 0.147 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000877107377 584890417 /nfs/dbraw/zinc/89/04/17/584890417.db2.gz DKKXLSXLERBTOE-IVZWLZJFSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)CC[C@@H]1[NH3+] ZINC000884033785 584938519 /nfs/dbraw/zinc/93/85/19/584938519.db2.gz SZJXGSMZWSTLLT-MIMYLULJSA-N 2 0 225.336 0.310 20 0 BCADRP Cn1ncc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000839181892 585096638 /nfs/dbraw/zinc/09/66/38/585096638.db2.gz KAADDWBFUFEURY-NSHDSACASA-N 2 0 237.351 0.637 20 0 BCADRP CC(=O)NCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000741250972 585111844 /nfs/dbraw/zinc/11/18/44/585111844.db2.gz KZIIVZKZVVSVRX-CYBMUJFWSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=S)NCC[NH+](C)C ZINC000743579873 585137942 /nfs/dbraw/zinc/13/79/42/585137942.db2.gz MTQXRPZRNXYLLR-JTQLQIEISA-N 2 0 246.424 0.352 20 0 BCADRP C[NH+](C)CC(=O)N1CCC12CC[NH+](C)CC2 ZINC000748325311 585190575 /nfs/dbraw/zinc/19/05/75/585190575.db2.gz WLCJNMHVDUEEEY-UHFFFAOYSA-N 2 0 225.336 0.245 20 0 BCADRP C[NH+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC000751542581 585232403 /nfs/dbraw/zinc/23/24/03/585232403.db2.gz IVORQLRSFWJMON-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP C(C[NH+]1CCCC1)N1CC[NH+](C2CC2)CC1 ZINC000760817794 585397775 /nfs/dbraw/zinc/39/77/75/585397775.db2.gz FYTZILMGHXRYDJ-UHFFFAOYSA-N 2 0 223.364 0.862 20 0 BCADRP C[C@@H]1CN(CC[NH+]2CCCC2)CC[N@@H+]1C ZINC000761076668 585405939 /nfs/dbraw/zinc/40/59/39/585405939.db2.gz JCISZNCXYYWBML-GFCCVEGCSA-N 2 0 211.353 0.718 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC000763045680 585442530 /nfs/dbraw/zinc/44/25/30/585442530.db2.gz WMHLPQTVGSNMQY-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CCN1CCCNC(=O)C1 ZINC000767371659 585518089 /nfs/dbraw/zinc/51/80/89/585518089.db2.gz VUPVWYHEKOGBDP-LLVKDONJSA-N 2 0 225.336 0.293 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)C1([NH+](C)C)CCC1 ZINC000775817229 585685508 /nfs/dbraw/zinc/68/55/08/585685508.db2.gz FYRBYYOGPTZJSY-UHFFFAOYSA-N 2 0 241.379 0.881 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(Cn2cnnc2)C1 ZINC000776760522 585704565 /nfs/dbraw/zinc/70/45/65/585704565.db2.gz SDCKMSPJLGDRQV-LLVKDONJSA-N 2 0 223.324 0.509 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)CCO ZINC000779340268 585751894 /nfs/dbraw/zinc/75/18/94/585751894.db2.gz BMUXYRXEGQOXCA-NSHDSACASA-N 2 0 218.341 0.315 20 0 BCADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)CCO)CC1 ZINC000779385485 585753078 /nfs/dbraw/zinc/75/30/78/585753078.db2.gz FIWJJYTYAAUDKE-ZDUSSCGKSA-N 2 0 243.395 0.375 20 0 BCADRP Cc1cc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)nc(N)[nH+]1 ZINC000785836791 585881671 /nfs/dbraw/zinc/88/16/71/585881671.db2.gz GFJFGWLPPMNALB-ZJUUUORDSA-N 2 0 235.335 0.896 20 0 BCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(F)F ZINC000787322330 585906758 /nfs/dbraw/zinc/90/67/58/585906758.db2.gz DKACKALUNYXHQD-UHFFFAOYSA-N 2 0 237.294 0.203 20 0 BCADRP C[NH+](C)CC1CC[NH+](CC[S@@](C)=O)CC1 ZINC000787707466 585914220 /nfs/dbraw/zinc/91/42/20/585914220.db2.gz FUVYNTFEUDMGRO-OAHLLOKOSA-N 2 0 232.393 0.639 20 0 BCADRP CCNC(=O)C[N@H+](CC)CC1CC[NH+](C)CC1 ZINC000788467930 585925003 /nfs/dbraw/zinc/92/50/03/585925003.db2.gz BDLBLYRZNJMAKK-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CNC(=O)[C@H]1CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000788478391 585925206 /nfs/dbraw/zinc/92/52/06/585925206.db2.gz JMVAXGSRJAGDRC-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP C[S@@](=O)CC[NH+]1CCC(n2ccnc2)CC1 ZINC000798196851 586139862 /nfs/dbraw/zinc/13/98/62/586139862.db2.gz NCWMQFDMIIOAFF-MRXNPFEDSA-N 2 0 241.360 0.899 20 0 BCADRP C[C@H](C(N)=O)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178462 586165948 /nfs/dbraw/zinc/16/59/48/586165948.db2.gz VQGDRNMYCVURLK-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@@H](O)C1CC1 ZINC000843105727 586384748 /nfs/dbraw/zinc/38/47/48/586384748.db2.gz UYXDCPLYRXHGBA-CHWSQXEVSA-N 2 0 244.379 0.440 20 0 BCADRP C[N@@H+]1CCC[C@@]2(CCN(CC3OCCO3)C2)C1 ZINC000815143645 586669870 /nfs/dbraw/zinc/66/98/70/586669870.db2.gz NARHWXYUVIZCGD-CYBMUJFWSA-N 2 0 240.347 0.777 20 0 BCADRP CC[C@H](N[C@@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000817890562 586831868 /nfs/dbraw/zinc/83/18/68/586831868.db2.gz UEWBPICAVKRKGB-WOPDTQHZSA-N 2 0 211.353 0.811 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000817891017 586832015 /nfs/dbraw/zinc/83/20/15/586832015.db2.gz DPDJSILCKWMTBN-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@H](N[C@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000817890560 586832087 /nfs/dbraw/zinc/83/20/87/586832087.db2.gz UEWBPICAVKRKGB-TUAOUCFPSA-N 2 0 211.353 0.811 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CCN1CCC[C@H]1C ZINC000817912130 586838571 /nfs/dbraw/zinc/83/85/71/586838571.db2.gz FOFUEIBBKCKXMT-CHWSQXEVSA-N 2 0 243.395 0.814 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000817914336 586839839 /nfs/dbraw/zinc/83/98/39/586839839.db2.gz VHZMJPJHHPUHOQ-IJLUTSLNSA-N 2 0 211.353 0.940 20 0 BCADRP [NH3+]CCc1ccc(CNC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000818535742 586899010 /nfs/dbraw/zinc/89/90/10/586899010.db2.gz LBKMKPFKTFNQJA-GFCCVEGCSA-N 2 0 233.315 0.166 20 0 BCADRP C[C@@H](C[NH3+])C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000818543731 586899576 /nfs/dbraw/zinc/89/95/76/586899576.db2.gz WXZPYELVRWAMLH-VIFPVBQESA-N 2 0 237.303 0.557 20 0 BCADRP C[C@H](C[NH3+])C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000818543729 586899640 /nfs/dbraw/zinc/89/96/40/586899640.db2.gz WXZPYELVRWAMLH-SECBINFHSA-N 2 0 237.303 0.557 20 0 BCADRP CC[NH2+]CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000818574777 586902629 /nfs/dbraw/zinc/90/26/29/586902629.db2.gz NHGGLNMNTDZECX-GARJFASQSA-N 2 0 225.336 0.182 20 0 BCADRP CC[NH2+]CC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000818596986 586904483 /nfs/dbraw/zinc/90/44/83/586904483.db2.gz PGNWMDRHCDRAOY-UHFFFAOYSA-N 2 0 249.314 0.717 20 0 BCADRP CC[NH2+]CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000818608920 586906183 /nfs/dbraw/zinc/90/61/83/586906183.db2.gz GMJUVQQYNCAEGP-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000818973476 586919020 /nfs/dbraw/zinc/91/90/20/586919020.db2.gz XHALZFWLYZOOPI-ZWNOBZJWSA-N 2 0 224.348 0.831 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000827777019 587401760 /nfs/dbraw/zinc/40/17/60/587401760.db2.gz KJTQISWFHXUCIG-ZYHUDNBSSA-N 2 0 245.342 0.535 20 0 BCADRP C[C@@H]1C[N@H+](CCO)CCN1c1cc[nH+]cc1 ZINC000829577833 587504567 /nfs/dbraw/zinc/50/45/67/587504567.db2.gz QNXTZNYVDVGUMG-LLVKDONJSA-N 2 0 221.304 0.584 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@]2(F)CC[NH2+]C2)CC[N@@H+]1C ZINC000830463206 587551847 /nfs/dbraw/zinc/55/18/47/587551847.db2.gz LHDYPEXRVQJWBU-JFGNBEQYSA-N 2 0 243.326 0.287 20 0 BCADRP [NH3+]CCCCCCNC(=O)NC1CC[NH2+]CC1 ZINC000831173101 587588791 /nfs/dbraw/zinc/58/87/91/587588791.db2.gz PQQVALSUZGTLNJ-UHFFFAOYSA-N 2 0 242.367 0.557 20 0 BCADRP [NH3+]CCCCCCNC(=O)NCC1C[NH2+]C1 ZINC000831184523 587589863 /nfs/dbraw/zinc/58/98/63/587589863.db2.gz PZGXCCAQFJJDGS-UHFFFAOYSA-N 2 0 228.340 0.024 20 0 BCADRP C[NH2+]CCN(C)C(=O)NCCCCCC[NH3+] ZINC000831292275 587595894 /nfs/dbraw/zinc/59/58/94/587595894.db2.gz VRUZKRSXBJGASJ-UHFFFAOYSA-N 2 0 230.356 0.366 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)NCCCCCC[NH3+] ZINC000831299626 587596675 /nfs/dbraw/zinc/59/66/75/587596675.db2.gz SCLWGNQYPGDSCN-UHFFFAOYSA-N 2 0 244.383 0.932 20 0 BCADRP C[C@@H]1CN(C(=O)CCCCC[NH3+])[C@H](C)C[NH2+]1 ZINC000831540219 587617662 /nfs/dbraw/zinc/61/76/62/587617662.db2.gz MHLIWCYDEFUQIY-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+][C@H](CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C1CC1 ZINC000831578252 587620023 /nfs/dbraw/zinc/62/00/23/587620023.db2.gz LAXNWXYZXFTQHC-DGCLKSJQSA-N 2 0 237.347 0.326 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000831970397 587639612 /nfs/dbraw/zinc/63/96/12/587639612.db2.gz FYXCRZLRRPBKLA-IUCAKERBSA-N 2 0 249.305 0.569 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831970979 587640298 /nfs/dbraw/zinc/64/02/98/587640298.db2.gz PARDLFWTBPFRRI-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831970623 587640330 /nfs/dbraw/zinc/64/03/30/587640330.db2.gz JUKMDHLZUBUPPY-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000831970959 587640499 /nfs/dbraw/zinc/64/04/99/587640499.db2.gz OZFPETWXOGESIB-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831970603 587640628 /nfs/dbraw/zinc/64/06/28/587640628.db2.gz JJTZXWCULULILF-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)CC(C)(C)[NH3+] ZINC000831970597 587640871 /nfs/dbraw/zinc/64/08/71/587640871.db2.gz JGPQVCZQMLWKAG-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000832459736 587661205 /nfs/dbraw/zinc/66/12/05/587661205.db2.gz VWBVIZXOHWCOLQ-KOLCDFICSA-N 2 0 225.336 0.311 20 0 BCADRP C[NH2+]CCC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000832607497 587668979 /nfs/dbraw/zinc/66/89/79/587668979.db2.gz YQTCCTCUVODLGY-UHFFFAOYSA-N 2 0 237.303 0.572 20 0 BCADRP CC(C)([NH3+])C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000832606482 587669023 /nfs/dbraw/zinc/66/90/23/587669023.db2.gz JGFQFIFVKKXQEK-UHFFFAOYSA-N 2 0 237.303 0.700 20 0 BCADRP CN(C(=O)[C@@]1(F)CC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000832829405 587692856 /nfs/dbraw/zinc/69/28/56/587692856.db2.gz VYAYLBHUPNHBMU-RTYFJBAXSA-N 2 0 243.326 0.416 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000834460344 587755608 /nfs/dbraw/zinc/75/56/08/587755608.db2.gz IJAQAZPOUCAHDQ-GDPRMGEGSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000834460346 587755637 /nfs/dbraw/zinc/75/56/37/587755637.db2.gz IJAQAZPOUCAHDQ-JMJZKYOTSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCCCC[NH3+] ZINC000834545869 587758852 /nfs/dbraw/zinc/75/88/52/587758852.db2.gz CBKFBJUIKGIFER-QWRGUYRKSA-N 2 0 227.352 0.620 20 0 BCADRP [NH3+]CCCCCCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000834528719 587758915 /nfs/dbraw/zinc/75/89/15/587758915.db2.gz IWLIWZNRLYXBMM-NSHDSACASA-N 2 0 243.351 0.082 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000834582625 587759881 /nfs/dbraw/zinc/75/98/81/587759881.db2.gz WKJOSBMBTXGUBL-LLVKDONJSA-N 2 0 227.352 0.764 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000834582554 587760021 /nfs/dbraw/zinc/76/00/21/587760021.db2.gz SDAMUXYXMVTDTL-ZJUUUORDSA-N 2 0 225.336 0.385 20 0 BCADRP [NH3+][C@H](CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000834599897 587760329 /nfs/dbraw/zinc/76/03/29/587760329.db2.gz SAVDPAWPFGBZBD-GMTAPVOTSA-N 2 0 225.336 0.500 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000834608607 587760573 /nfs/dbraw/zinc/76/05/73/587760573.db2.gz DROVDQCEAVFXOM-KWQFWETISA-N 2 0 239.294 0.331 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCCCC[NH3+] ZINC000834643170 587762583 /nfs/dbraw/zinc/76/25/83/587762583.db2.gz WHASOMRBZBBMTR-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000834648273 587762626 /nfs/dbraw/zinc/76/26/26/587762626.db2.gz ULAXIFZCGYKCTG-FOGDFJRCSA-N 2 0 243.326 0.274 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000834672903 587763539 /nfs/dbraw/zinc/76/35/39/587763539.db2.gz JOUSKXOPIBUWIA-CYZMBNFOSA-N 2 0 247.342 0.943 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C[C@H]([NH3+])C2CC2)CC[NH2+]1 ZINC000834672773 587763597 /nfs/dbraw/zinc/76/35/97/587763597.db2.gz HIHGLWYXYWLYKB-IEBDPFPHSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000834785842 587766832 /nfs/dbraw/zinc/76/68/32/587766832.db2.gz IUAMUMLYHRBYIH-GXSJLCMTSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)C[C@H]([NH3+])C1CC1 ZINC000834785861 587766912 /nfs/dbraw/zinc/76/69/12/587766912.db2.gz IUAMUMLYHRBYIH-KOLCDFICSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000834821989 587767714 /nfs/dbraw/zinc/76/77/14/587767714.db2.gz VWCAOPHUWBBAAQ-FXPVBKGRSA-N 2 0 221.304 0.538 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000834858388 587768768 /nfs/dbraw/zinc/76/87/68/587768768.db2.gz QWUOVPOSYQIZPZ-MNOVXSKESA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000834858387 587768791 /nfs/dbraw/zinc/76/87/91/587768791.db2.gz QWUOVPOSYQIZPZ-GHMZBOCLSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CC(=O)N(C)C[C@@H]2C)CC[NH2+]1 ZINC000841020306 587935741 /nfs/dbraw/zinc/93/57/41/587935741.db2.gz WDZPAPZGWGMHDZ-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP [NH3+]CCOc1ccc(N[C@@H]2CC[NH2+]C2)cc1 ZINC000841055486 587940737 /nfs/dbraw/zinc/94/07/37/587940737.db2.gz WZHQHPXJFMSYDI-LLVKDONJSA-N 2 0 221.304 0.798 20 0 BCADRP C[C@H]([NH3+])CNC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000841723866 587972982 /nfs/dbraw/zinc/97/29/82/587972982.db2.gz BADUPLHCDHFVLC-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H](CNC(=O)N(C)CC[NH3+])[NH+]1CCCCC1 ZINC000841725312 587973008 /nfs/dbraw/zinc/97/30/08/587973008.db2.gz LROINKIBULLHEW-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP C[C@H](C[NH3+])NC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000841725590 587973032 /nfs/dbraw/zinc/97/30/32/587973032.db2.gz NRFBEEWWZYHMTN-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000841846197 587977132 /nfs/dbraw/zinc/97/71/32/587977132.db2.gz KTXKVVJPVLPEMO-DLOVCJGASA-N 2 0 239.363 0.842 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)[C@@]2(F)CC[NH2+]C2)c1 ZINC000841845333 587977244 /nfs/dbraw/zinc/97/72/44/587977244.db2.gz SCCKRNRGUUWAIO-GFCCVEGCSA-N 2 0 237.278 0.785 20 0 BCADRP [NH3+][C@H](CNC(=O)C[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000841848029 587977405 /nfs/dbraw/zinc/97/74/05/587977405.db2.gz QRLYAEBCOZGWPZ-QWHCGFSZSA-N 2 0 247.342 0.930 20 0 BCADRP [NH3+][C@@H](CC(=O)NCC1([NH3+])CCCCC1)C1CC1 ZINC000841845151 587977511 /nfs/dbraw/zinc/97/75/11/587977511.db2.gz LPCJFBWTJWZFOF-NSHDSACASA-N 2 0 239.363 0.892 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)[C@@H]1C[NH3+] ZINC000841848513 587977528 /nfs/dbraw/zinc/97/75/28/587977528.db2.gz KTICAQLPINOTOD-ADEWGFFLSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)C[C@H]([NH3+])C1CC1 ZINC000841848856 587977689 /nfs/dbraw/zinc/97/76/89/587977689.db2.gz HFJUTBKGOQEBSR-WCQYABFASA-N 2 0 241.379 0.994 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)[C@@H]1C[NH3+] ZINC000841848516 587977711 /nfs/dbraw/zinc/97/77/11/587977711.db2.gz KTICAQLPINOTOD-YUSALJHKSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@]1(CNC(=O)C[C@H]([NH3+])C2CC2)CCC[NH2+]C1 ZINC000841849565 587977836 /nfs/dbraw/zinc/97/78/36/587977836.db2.gz AXTGIDYWXBKQLN-WCQYABFASA-N 2 0 239.363 0.620 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000841849154 587978012 /nfs/dbraw/zinc/97/80/12/587978012.db2.gz XQMSJBGMXOHKPL-SNVBAGLBSA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CCCCCC[NH3+] ZINC000841848566 587978013 /nfs/dbraw/zinc/97/80/13/587978013.db2.gz MLKOGINKOFQZCR-NSHDSACASA-N 2 0 229.368 0.995 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000841850445 587978203 /nfs/dbraw/zinc/97/82/03/587978203.db2.gz VOTKFXPWUMKYRB-CABZTGNLSA-N 2 0 233.315 0.337 20 0 BCADRP CC[NH2+]CC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000841851046 587978231 /nfs/dbraw/zinc/97/82/31/587978231.db2.gz JVUPARCWTMBPKK-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000841851204 587978331 /nfs/dbraw/zinc/97/83/31/587978331.db2.gz MTGFVIHHRBAYGK-MRGUHSIWSA-N 2 0 239.363 0.617 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000841851202 587978472 /nfs/dbraw/zinc/97/84/72/587978472.db2.gz MTGFVIHHRBAYGK-MBJVOQIVSA-N 2 0 239.363 0.617 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C[C@@H]([NH3+])C2CC2)CC[NH2+]1 ZINC000841851263 587978532 /nfs/dbraw/zinc/97/85/32/587978532.db2.gz KBMOTSPJDYDONA-VXGBXAGGSA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+]CCCCCCC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000842477842 588030028 /nfs/dbraw/zinc/03/00/28/588030028.db2.gz BTHCVHUVBJSOTF-CYBMUJFWSA-N 3 0 243.395 0.945 20 0 BCADRP CN(C(=O)C[C@@H]([NH3+])C1CC1)[C@@H](C[NH3+])C1CC1 ZINC000842510424 588031596 /nfs/dbraw/zinc/03/15/96/588031596.db2.gz PRTNMFQCSKCRIS-MNOVXSKESA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)o1 ZINC000842514626 588032213 /nfs/dbraw/zinc/03/22/13/588032213.db2.gz ZFFMXFMGMUSCFT-CYBMUJFWSA-N 2 0 249.314 0.706 20 0 BCADRP [NH3+][C@@H](CC(=O)N1CC[C@]2(CCC[NH2+]2)C1)C1CC1 ZINC000842514324 588032393 /nfs/dbraw/zinc/03/23/93/588032393.db2.gz WHOVBWMKFIKUJU-WCQYABFASA-N 2 0 237.347 0.468 20 0 BCADRP C[N@H+](CC1(C[NH3+])CC1)C1CCC([NH3+])CC1 ZINC000843055303 588077770 /nfs/dbraw/zinc/07/77/70/588077770.db2.gz XDQGRUSEACUTBZ-UHFFFAOYSA-N 3 0 211.353 0.927 20 0 BCADRP CN(C)c1ncc(C[NH2+]C2CCC([NH3+])CC2)cn1 ZINC000843104089 588081665 /nfs/dbraw/zinc/08/16/65/588081665.db2.gz GDBRGQJSIQEOAY-UHFFFAOYSA-N 2 0 249.362 0.902 20 0 BCADRP C[C@@H]1C[C@H](N[C@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC000843126009 588084335 /nfs/dbraw/zinc/08/43/35/588084335.db2.gz MHYNXNIMVDYUHV-KKOKHZNYSA-N 2 0 211.353 0.857 20 0 BCADRP C[C@@H]1C[C@H](N[C@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC000843126012 588084776 /nfs/dbraw/zinc/08/47/76/588084776.db2.gz MHYNXNIMVDYUHV-KXNHARMFSA-N 2 0 211.353 0.857 20 0 BCADRP [NH3+]CCc1noc(CCCC[NH+]2CCCC2)n1 ZINC000843131692 588085472 /nfs/dbraw/zinc/08/54/72/588085472.db2.gz ZLOFZWGABPLIMC-UHFFFAOYSA-N 2 0 238.335 0.989 20 0 BCADRP CC(C)([NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843327630 588100109 /nfs/dbraw/zinc/10/01/09/588100109.db2.gz LMIRXIZJTKJJRO-UHFFFAOYSA-N 2 0 235.331 0.541 20 0 BCADRP C[C@@H](C[C@H]1COCCN1)[NH2+]CCCCCC[NH3+] ZINC000843344033 588101445 /nfs/dbraw/zinc/10/14/45/588101445.db2.gz MQIXIQWDVLALHC-STQMWFEESA-N 2 0 243.395 0.862 20 0 BCADRP C[C@H](CS(C)(=O)=O)[NH2+]CCCCCC[NH3+] ZINC000843343341 588101603 /nfs/dbraw/zinc/10/16/03/588101603.db2.gz ZLYSMEBTSNGPCK-SNVBAGLBSA-N 2 0 236.381 0.528 20 0 BCADRP CC[NH2+]CC(=O)N1CCC(C[NH2+]CC)CC1 ZINC000843352586 588102910 /nfs/dbraw/zinc/10/29/10/588102910.db2.gz INFZIEOEQAOUBJ-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP O=C1OCC[C@@H]1[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843386020 588105680 /nfs/dbraw/zinc/10/56/80/588105680.db2.gz GXRZIQYYCSPHGI-JTQLQIEISA-N 2 0 224.304 0.377 20 0 BCADRP CCCOC(=O)[C@@H](C)N1CC[C@](C)(C[NH3+])C1 ZINC000843381709 588105923 /nfs/dbraw/zinc/10/59/23/588105923.db2.gz GOTMLAUEFSYNQD-ZYHUDNBSSA-N 2 0 228.336 0.999 20 0 BCADRP CCCN(C(=O)C[NH2+]CC)C1CC[NH2+]CC1 ZINC000843450227 588111339 /nfs/dbraw/zinc/11/13/39/588111339.db2.gz XKFVDGKDNREINR-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CCCCC[NH3+] ZINC000843474355 588113930 /nfs/dbraw/zinc/11/39/30/588113930.db2.gz YNJHVAZWNGKGDW-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000843501807 588116760 /nfs/dbraw/zinc/11/67/60/588116760.db2.gz QWYBPJQGYYLICB-JFGNBEQYSA-N 2 0 223.320 0.078 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000843500974 588116923 /nfs/dbraw/zinc/11/69/23/588116923.db2.gz FQXTTXDVOPZAEW-ZDUSSCGKSA-N 2 0 239.363 0.858 20 0 BCADRP CC(C)([NH3+])C(=O)NCCCCCC[NH3+] ZINC000843505794 588117102 /nfs/dbraw/zinc/11/71/02/588117102.db2.gz NFQSVRDXKSIXBP-UHFFFAOYSA-N 2 0 201.314 0.359 20 0 BCADRP CC[NH2+]CC(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000843505304 588117160 /nfs/dbraw/zinc/11/71/60/588117160.db2.gz JJIYCUBHUQIOID-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]CCCCCCNC(=O)C1CC[NH2+]CC1 ZINC000843505926 588117307 /nfs/dbraw/zinc/11/73/07/588117307.db2.gz OSXIKBRYPFVFCA-UHFFFAOYSA-N 2 0 227.352 0.621 20 0 BCADRP [NH3+]CCCCCCNC(=O)C1([NH3+])CCC1 ZINC000843512445 588117608 /nfs/dbraw/zinc/11/76/08/588117608.db2.gz LMLHIXXVQFJPCH-UHFFFAOYSA-N 2 0 213.325 0.503 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000843511688 588117711 /nfs/dbraw/zinc/11/77/11/588117711.db2.gz HMQRITMCRILKLF-AAEUAGOBSA-N 2 0 239.363 0.621 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCCCCCC[NH3+] ZINC000843512453 588117912 /nfs/dbraw/zinc/11/79/12/588117912.db2.gz LZNGQXGELBUXTL-SNVBAGLBSA-N 2 0 215.341 0.749 20 0 BCADRP CC[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000844185032 588170445 /nfs/dbraw/zinc/17/04/45/588170445.db2.gz DJCBSQKFFDXYRB-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC000844163068 588171813 /nfs/dbraw/zinc/17/18/13/588171813.db2.gz NATPOFXWTBWKPI-UHFFFAOYSA-N 2 0 241.379 0.978 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000844178106 588172287 /nfs/dbraw/zinc/17/22/87/588172287.db2.gz KJNPAWIEHZCZBY-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)[NH+](C)C ZINC000844199917 588173435 /nfs/dbraw/zinc/17/34/35/588173435.db2.gz YSYCDULEENDQFH-JQWIXIFHSA-N 2 0 225.336 0.291 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000844204910 588173761 /nfs/dbraw/zinc/17/37/61/588173761.db2.gz RLAKFHRATWESGQ-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)NOC2CC[NH+](C)CC2)C1 ZINC000846648273 588280913 /nfs/dbraw/zinc/28/09/13/588280913.db2.gz QVYGKXPKKNHKBF-JTQLQIEISA-N 2 0 241.335 0.080 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000846675973 588282120 /nfs/dbraw/zinc/28/21/20/588282120.db2.gz TUIGEBBGMJMGPA-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCCC1(C[NH3+])CC1 ZINC000846692870 588283111 /nfs/dbraw/zinc/28/31/11/588283111.db2.gz ZUWBJKHKQMMAKI-VIFPVBQESA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+][C@@H](CC(=O)NCCC1CC[NH2+]CC1)C1CC1 ZINC000846700944 588283511 /nfs/dbraw/zinc/28/35/11/588283511.db2.gz KGFYFZKDUHAMPL-LBPRGKRZSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]CCC1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000846699711 588283515 /nfs/dbraw/zinc/28/35/15/588283515.db2.gz QCVNZIZDDGVKMO-GFCCVEGCSA-N 2 0 243.326 0.275 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000846741381 588284033 /nfs/dbraw/zinc/28/40/33/588284033.db2.gz AOYLFPGGIIDHEI-IEBDPFPHSA-N 2 0 225.336 0.452 20 0 BCADRP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000107149796 588332033 /nfs/dbraw/zinc/33/20/33/588332033.db2.gz QGKSGMBBMGSEEJ-JTQLQIEISA-N 2 0 208.309 0.807 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000848418522 588382055 /nfs/dbraw/zinc/38/20/55/588382055.db2.gz NBODKLDTGIMIGC-JQWIXIFHSA-N 2 0 225.336 0.054 20 0 BCADRP [NH3+]C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)C(F)(F)F ZINC000848438194 588385020 /nfs/dbraw/zinc/38/50/20/588385020.db2.gz QVIATTFJAZJTRJ-BQBZGAKWSA-N 2 0 239.241 0.120 20 0 BCADRP Cn1cc([C@H](O)C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000848718717 588408286 /nfs/dbraw/zinc/40/82/86/588408286.db2.gz QCBMHDNGKGFCQO-SDDRHHMPSA-N 2 0 238.335 0.313 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)C2CC2)C1 ZINC000848722927 588408993 /nfs/dbraw/zinc/40/89/93/588408993.db2.gz UETYMPJSKJPFTM-UWVGGRQHSA-N 2 0 246.376 0.423 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=[NH2+])N1CCC1 ZINC000848980962 588423567 /nfs/dbraw/zinc/42/35/67/588423567.db2.gz NTXSJQHBLNRGMH-UHFFFAOYSA-N 2 0 212.341 0.804 20 0 BCADRP CCNC(=[NH2+])NCCC[NH+]1CCCCC1 ZINC000848982565 588423919 /nfs/dbraw/zinc/42/39/19/588423919.db2.gz BQABWOFJHWYZBJ-UHFFFAOYSA-N 2 0 212.341 0.996 20 0 BCADRP CN(C(=[NH2+])NCC(C)(C)[NH+](C)C)C1CC1 ZINC000848981687 588424228 /nfs/dbraw/zinc/42/42/28/588424228.db2.gz SBEFTVBCMDGVAI-UHFFFAOYSA-N 2 0 212.341 0.945 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC1=[NH+]CCCN1C ZINC000848986671 588425903 /nfs/dbraw/zinc/42/59/03/588425903.db2.gz RYLBKHQJDMATPZ-LLVKDONJSA-N 2 0 226.368 0.998 20 0 BCADRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])N2CCC2)C1 ZINC000848987615 588426440 /nfs/dbraw/zinc/42/64/40/588426440.db2.gz KZNHJQYUDNLDSV-LLVKDONJSA-N 2 0 224.352 0.948 20 0 BCADRP C[NH+](C)CCCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000848989966 588426572 /nfs/dbraw/zinc/42/65/72/588426572.db2.gz OKNMLIJQAYHZIV-NSHDSACASA-N 2 0 242.367 0.621 20 0 BCADRP [NH2+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC1 ZINC000848992591 588427844 /nfs/dbraw/zinc/42/78/44/588427844.db2.gz LAMHVSWVPHHURP-JTQLQIEISA-N 2 0 222.336 0.701 20 0 BCADRP CC[C@@H](C)NC(=[NH2+])NCCC[N@H+](C)CCOC ZINC000848993175 588427999 /nfs/dbraw/zinc/42/79/99/588427999.db2.gz CZNVBQYFHPWHMK-LLVKDONJSA-N 2 0 244.383 0.867 20 0 BCADRP CC(C)(C)[NH2+]CCCNC(=[NH2+])N1CCC1 ZINC000848994141 588428210 /nfs/dbraw/zinc/42/82/10/588428210.db2.gz WQARXSMTVROXAL-UHFFFAOYSA-N 2 0 212.341 0.995 20 0 BCADRP [NH2+]=C(NCCNc1cc[nH+]cc1)NCC1CCC1 ZINC000848995373 588428801 /nfs/dbraw/zinc/42/88/01/588428801.db2.gz ONZCXRUYXZHYNP-UHFFFAOYSA-N 2 0 247.346 0.829 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])NCCOC ZINC000849000997 588430735 /nfs/dbraw/zinc/43/07/35/588430735.db2.gz NKLPGDVMYRWZRC-JTQLQIEISA-N 2 0 230.356 0.477 20 0 BCADRP CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCOC ZINC000849001760 588431112 /nfs/dbraw/zinc/43/11/12/588431112.db2.gz AHALKFOZGWPGCK-SNVBAGLBSA-N 2 0 228.340 0.231 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=[NH2+])NC2CCC2)C1 ZINC000849004614 588431775 /nfs/dbraw/zinc/43/17/75/588431775.db2.gz RMNZVZDTAHDZFD-SNVBAGLBSA-N 2 0 224.352 0.995 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC2=[NH+]CCCN2C)C1 ZINC000849004681 588432048 /nfs/dbraw/zinc/43/20/48/588432048.db2.gz VPTCOKHBDAHCBH-LLVKDONJSA-N 2 0 224.352 0.609 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=[NH2+])N(C)C2CC2)C1 ZINC000849005133 588432066 /nfs/dbraw/zinc/43/20/66/588432066.db2.gz ZEIYZHGJJRGDHD-SNVBAGLBSA-N 2 0 224.352 0.947 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=[NH2+])NC2CC2)C1 ZINC000849004778 588432207 /nfs/dbraw/zinc/43/22/07/588432207.db2.gz ZEDSVNROSHSDID-SECBINFHSA-N 2 0 210.325 0.605 20 0 BCADRP [NH2+]=C(NCCN1CCC1)N1CCCCC1 ZINC000849014714 588436300 /nfs/dbraw/zinc/43/63/00/588436300.db2.gz ULRLCTOVFSJXFK-UHFFFAOYSA-N 2 0 210.325 0.702 20 0 BCADRP CC[NH+](CC)CCOCCNC(=[NH2+])NC ZINC000849018214 588437847 /nfs/dbraw/zinc/43/78/47/588437847.db2.gz GNIZDJWTTMARQQ-UHFFFAOYSA-N 2 0 216.329 0.089 20 0 BCADRP C[C@H](CNC(=[NH2+])N1CCSCC1)C[NH+](C)C ZINC000849030713 588442778 /nfs/dbraw/zinc/44/27/78/588442778.db2.gz TYVKCAAXNFRNIT-SNVBAGLBSA-N 2 0 244.408 0.757 20 0 BCADRP CC(C)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCCO ZINC000849033906 588443938 /nfs/dbraw/zinc/44/39/38/588443938.db2.gz DMUZIQFWVXLQFZ-LLVKDONJSA-N 2 0 242.367 0.356 20 0 BCADRP COCCNC(=[NH2+])NCC[N@@H+]1CCCC1(C)C ZINC000849039305 588446897 /nfs/dbraw/zinc/44/68/97/588446897.db2.gz RGZDSJDVOMZASX-UHFFFAOYSA-N 2 0 242.367 0.621 20 0 BCADRP C[C@@H]1C[NH+]=C(NCc2ccc3c[nH+]cn3c2)N1 ZINC000849040011 588447016 /nfs/dbraw/zinc/44/70/16/588447016.db2.gz DYBNDDBMDODBBW-SECBINFHSA-N 2 0 229.287 0.772 20 0 BCADRP C[C@@H]1C[NH+]=C(NC[C@H]2C[C@@H]([NH+](C)C)C2)N1 ZINC000849049539 588451385 /nfs/dbraw/zinc/45/13/85/588451385.db2.gz RWKZSLZZUFNQKJ-BBBLOLIVSA-N 2 0 210.325 0.264 20 0 BCADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH+]1CCCC1 ZINC000849133094 588453385 /nfs/dbraw/zinc/45/33/85/588453385.db2.gz AOBJKNFUIGQAET-NSHDSACASA-N 2 0 235.335 0.798 20 0 BCADRP CON(C)CC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000850481185 588551523 /nfs/dbraw/zinc/55/15/23/588551523.db2.gz YSEPQUCSWGUTIS-UHFFFAOYSA-N 2 0 229.368 0.942 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)C[NH3+] ZINC000851663658 588613894 /nfs/dbraw/zinc/61/38/94/588613894.db2.gz FTXNUBLZVXJAKI-DTWKUNHWSA-N 2 0 216.329 0.006 20 0 BCADRP C[NH2+]CCN(C)C(=O)NCC1([NH3+])CCCC1 ZINC000851671048 588614543 /nfs/dbraw/zinc/61/45/43/588614543.db2.gz FIBOBELFXROZDB-UHFFFAOYSA-N 2 0 228.340 0.119 20 0 BCADRP C[N@H+](C[C@@H]1CNC(=O)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000851782205 588627947 /nfs/dbraw/zinc/62/79/47/588627947.db2.gz OHTYFECSRYQJCL-NEPJUHHUSA-N 2 0 239.363 0.396 20 0 BCADRP CCCN(C)CC(C)(C)[NH2+]C[C@@H]1CNC(=O)C1 ZINC000852716065 588697638 /nfs/dbraw/zinc/69/76/38/588697638.db2.gz GYHNYYUZLXRVCN-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP O=C1OCCN1[C@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000852755220 588700748 /nfs/dbraw/zinc/70/07/48/588700748.db2.gz HVQWULWAYGWONE-MNOVXSKESA-N 2 0 239.319 0.122 20 0 BCADRP CN(C(=O)C=C1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000852797298 588702646 /nfs/dbraw/zinc/70/26/46/588702646.db2.gz NWOCNAXIVZOWBC-NSHDSACASA-N 2 0 223.320 0.117 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000852794176 588703094 /nfs/dbraw/zinc/70/30/94/588703094.db2.gz MFWIHHWKIHCXNB-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852794783 588703143 /nfs/dbraw/zinc/70/31/43/588703143.db2.gz RYGSBUMABSUTDI-LBPRGKRZSA-N 2 0 237.347 0.507 20 0 BCADRP C[C@](C[NH3+])(NC(=O)C=C1CC[NH2+]CC1)C1CC1 ZINC000852797325 588703700 /nfs/dbraw/zinc/70/37/00/588703700.db2.gz OPPGJWPKHDCKKS-CYBMUJFWSA-N 2 0 237.347 0.540 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000852824069 588705771 /nfs/dbraw/zinc/70/57/71/588705771.db2.gz OZKXTVOVVGETQX-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP CN(C(=O)[C@@H]1[NH2+]CC12CCCC2)[C@@H]1CC[NH2+]C1 ZINC000852825923 588706045 /nfs/dbraw/zinc/70/60/45/588706045.db2.gz WUCSNDWNQBHEFS-MNOVXSKESA-N 2 0 237.347 0.339 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1[NH2+]CC12CCCC2 ZINC000852825384 588706135 /nfs/dbraw/zinc/70/61/35/588706135.db2.gz PDZPHNQIUIFOIP-JTQLQIEISA-N 2 0 225.336 0.244 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1[NH2+]CC12CCCC2 ZINC000852825386 588706185 /nfs/dbraw/zinc/70/61/85/588706185.db2.gz PDZPHNQIUIFOIP-SNVBAGLBSA-N 2 0 225.336 0.244 20 0 BCADRP CN(Cc1c[nH]cn1)C(=O)CCCCC[NH3+] ZINC000852836480 588707159 /nfs/dbraw/zinc/70/71/59/588707159.db2.gz AEWZEDVQMUDUOS-UHFFFAOYSA-N 2 0 224.308 0.887 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)NCC[NH+]1CCCC1 ZINC000852856278 588708554 /nfs/dbraw/zinc/70/85/54/588708554.db2.gz XUBBSSBWMUZEFK-UHFFFAOYSA-N 2 0 237.347 0.508 20 0 BCADRP CC[NH+]1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852856911 588708857 /nfs/dbraw/zinc/70/88/57/588708857.db2.gz XMYFXUOVJYWDKW-UHFFFAOYSA-N 2 0 237.347 0.460 20 0 BCADRP C[NH+](C)CCCNC(=O)C=C1CC[NH2+]CC1 ZINC000852856601 588708903 /nfs/dbraw/zinc/70/89/03/588708903.db2.gz SIYKMOCPVNSQEZ-UHFFFAOYSA-N 2 0 225.336 0.364 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000852862515 588709230 /nfs/dbraw/zinc/70/92/30/588709230.db2.gz HALJWELWDSGAAW-LBPRGKRZSA-N 2 0 249.358 0.649 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000852868712 588709583 /nfs/dbraw/zinc/70/95/83/588709583.db2.gz VJNAWBRSOHHNDC-GXSJLCMTSA-N 2 0 227.352 0.617 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000852873736 588709901 /nfs/dbraw/zinc/70/99/01/588709901.db2.gz BLTVFQRMZZZQKN-SECBINFHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C=C1CC[NH2+]CC1 ZINC000852874664 588709969 /nfs/dbraw/zinc/70/99/69/588709969.db2.gz UATPSEKQXRJIIZ-SECBINFHSA-N 2 0 211.309 0.007 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)C=C1CC[NH2+]CC1 ZINC000852874665 588710134 /nfs/dbraw/zinc/71/01/34/588710134.db2.gz UATPSEKQXRJIIZ-VIFPVBQESA-N 2 0 211.309 0.007 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C=C3CC[NH2+]CC3)C[C@H]12 ZINC000852875766 588710227 /nfs/dbraw/zinc/71/02/27/588710227.db2.gz PCTCWKULQUCVSD-FRRDWIJNSA-N 2 0 249.358 0.492 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)C2=NO[C@@H](C[NH3+])C2)cc1 ZINC000852876489 588710351 /nfs/dbraw/zinc/71/03/51/588710351.db2.gz JQJJTVNFBBISGM-SNVBAGLBSA-N 2 0 248.286 0.187 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C=C1CC[NH2+]CC1 ZINC000852878062 588710499 /nfs/dbraw/zinc/71/04/99/588710499.db2.gz GNLTYFPQEAZSGT-JQWIXIFHSA-N 2 0 237.347 0.553 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852878129 588710790 /nfs/dbraw/zinc/71/07/90/588710790.db2.gz IOSQDNRSELKBAF-VXGBXAGGSA-N 2 0 237.347 0.682 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)C=C1CC[NH2+]CC1 ZINC000852881774 588710935 /nfs/dbraw/zinc/71/09/35/588710935.db2.gz PQWFIHBMYUMTHS-BDAKNGLRSA-N 2 0 211.309 0.148 20 0 BCADRP CN(C(=O)C=C1CC[NH2+]CC1)[C@H](C[NH3+])C1CC1 ZINC000852891611 588711782 /nfs/dbraw/zinc/71/17/82/588711782.db2.gz UEKHACFVDXXLHW-GFCCVEGCSA-N 2 0 237.347 0.492 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852917401 588713075 /nfs/dbraw/zinc/71/30/75/588713075.db2.gz JBHONAPLLDMUBL-GFCCVEGCSA-N 2 0 239.363 0.786 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861565908 589168531 /nfs/dbraw/zinc/16/85/31/589168531.db2.gz GQVVGSJXOAYWED-MNOVXSKESA-N 2 0 244.383 0.705 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000861565084 589168616 /nfs/dbraw/zinc/16/86/16/589168616.db2.gz FJWUICPETYPSJE-ZJUUUORDSA-N 2 0 228.340 0.069 20 0 BCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861632527 589171457 /nfs/dbraw/zinc/17/14/57/589171457.db2.gz GEYDDTXOGFBSOQ-MNOVXSKESA-N 2 0 244.383 0.704 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000861640415 589172046 /nfs/dbraw/zinc/17/20/46/589172046.db2.gz CRHJMVVQLCTUES-JQWIXIFHSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)NCCCCCC[NH3+] ZINC000861647640 589172776 /nfs/dbraw/zinc/17/27/76/589172776.db2.gz LRBFFDGHNZDNHZ-SNVBAGLBSA-N 2 0 230.356 0.494 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000861648921 589172868 /nfs/dbraw/zinc/17/28/68/589172868.db2.gz ZKIVORJICBKAFX-SECBINFHSA-N 2 0 228.340 0.104 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000861645236 589172869 /nfs/dbraw/zinc/17/28/69/589172869.db2.gz ZJYRSMJCBPCXMJ-BDAKNGLRSA-N 2 0 216.329 0.102 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861658889 589173673 /nfs/dbraw/zinc/17/36/73/589173673.db2.gz QEQFTPSUZGIIPY-UWVGGRQHSA-N 2 0 240.351 0.260 20 0 BCADRP COC(=O)C1=CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000863541887 589296874 /nfs/dbraw/zinc/29/68/74/589296874.db2.gz LVADZQQAZCLPHJ-NGZCFLSTSA-N 2 0 226.320 0.964 20 0 BCADRP NC(=O)C[C@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000863565082 589299319 /nfs/dbraw/zinc/29/93/19/589299319.db2.gz ZGLRZGGOCQTHBZ-NSHDSACASA-N 2 0 243.351 0.082 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC000863972445 589330594 /nfs/dbraw/zinc/33/05/94/589330594.db2.gz DWRRVIQHROLUEH-NNYUYHANSA-N 2 0 239.363 0.761 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnc[nH]2)C1 ZINC000864049488 589334402 /nfs/dbraw/zinc/33/44/02/589334402.db2.gz HPELOJRQZCCEKP-JGZJWPJOSA-N 2 0 208.309 0.840 20 0 BCADRP C[C@H]1C[C@@H]1NC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000864450226 589364328 /nfs/dbraw/zinc/36/43/28/589364328.db2.gz IFXJZXJLRONQAZ-QWRGUYRKSA-N 2 0 224.352 0.995 20 0 BCADRP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 ZINC000864451271 589364601 /nfs/dbraw/zinc/36/46/01/589364601.db2.gz HAPUIUNFMOHQRI-KXUCPTDWSA-N 2 0 210.325 0.460 20 0 BCADRP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000864451787 589365172 /nfs/dbraw/zinc/36/51/72/589365172.db2.gz JSQJALGPQPMFQM-JFGNBEQYSA-N 2 0 236.363 0.993 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@H]2C[C@@H]2C)C1 ZINC000864453304 589365425 /nfs/dbraw/zinc/36/54/25/589365425.db2.gz UNKZIPYRTDCPHD-AXFHLTTASA-N 2 0 224.352 0.851 20 0 BCADRP CC(C)[N@H+](C)CCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864455940 589367134 /nfs/dbraw/zinc/36/71/34/589367134.db2.gz AYBAKMURVDBRQM-VHSXEESVSA-N 2 0 212.341 0.849 20 0 BCADRP CC(C)[N@H+](C)CCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864455938 589366929 /nfs/dbraw/zinc/36/69/29/589366929.db2.gz AYBAKMURVDBRQM-UWVGGRQHSA-N 2 0 212.341 0.849 20 0 BCADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1 ZINC000864456580 589367214 /nfs/dbraw/zinc/36/72/14/589367214.db2.gz JPSPENXDHGTUAN-MXWKQRLJSA-N 2 0 224.352 0.851 20 0 BCADRP CCC(CC)NC(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1 ZINC000864464037 589370162 /nfs/dbraw/zinc/37/01/62/589370162.db2.gz PLRKWZWOAXOQLV-GFCCVEGCSA-N 2 0 242.367 0.356 20 0 BCADRP C[C@@H]([NH3+])c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000864643423 589387238 /nfs/dbraw/zinc/38/72/38/589387238.db2.gz LVOJHDIQCMHKFZ-MRVPVSSYSA-N 2 0 217.276 0.746 20 0 BCADRP C[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2CCOC2=O)C1 ZINC000120594606 589440602 /nfs/dbraw/zinc/44/06/02/589440602.db2.gz VBPBPVGRASWCHZ-NWDGAFQWSA-N 2 0 240.347 0.823 20 0 BCADRP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000217384235 589470847 /nfs/dbraw/zinc/47/08/47/589470847.db2.gz FBQPWRPQAAEPBU-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP C[N@H+](C[C@H]1CCc2ncnn21)C1CCC([NH3+])CC1 ZINC000866660943 589508221 /nfs/dbraw/zinc/50/82/21/589508221.db2.gz JEKZKAJKJATCAA-HTAVTVPLSA-N 2 0 249.362 0.967 20 0 BCADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCc1nnnn1C ZINC000866661796 589509117 /nfs/dbraw/zinc/50/91/17/589509117.db2.gz UYSSDSCMZUWNMU-JTQLQIEISA-N 2 0 240.355 0.058 20 0 BCADRP [NH3+]CCCCCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000866682183 589511313 /nfs/dbraw/zinc/51/13/13/589511313.db2.gz JKZWLLVHWZLDOT-UHFFFAOYSA-N 3 0 243.395 0.552 20 0 BCADRP C[NH2+]CCCN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866704133 589513467 /nfs/dbraw/zinc/51/34/67/589513467.db2.gz QNQNFXKKILPQMQ-NWDGAFQWSA-N 2 0 211.353 0.622 20 0 BCADRP CC1(C)C[C@@H](O)C[N@H+](CCOCC[NH3+])C1 ZINC000866702393 589513693 /nfs/dbraw/zinc/51/36/93/589513693.db2.gz AIKZNGYZQGJMMT-SNVBAGLBSA-N 2 0 216.325 0.055 20 0 BCADRP C[NH2+]CCCN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866704136 589513804 /nfs/dbraw/zinc/51/38/04/589513804.db2.gz QNQNFXKKILPQMQ-VXGBXAGGSA-N 2 0 211.353 0.622 20 0 BCADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCOCC[NH3+])C1 ZINC000866706221 589514182 /nfs/dbraw/zinc/51/41/82/589514182.db2.gz GPDGIDPKLUZHRV-CYBMUJFWSA-N 3 0 243.395 0.659 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866719784 589515229 /nfs/dbraw/zinc/51/52/29/589515229.db2.gz DEGOPIXKROUBOT-SDDRHHMPSA-N 2 0 209.337 0.422 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000868006575 589543785 /nfs/dbraw/zinc/54/37/85/589543785.db2.gz UCHXOZNEZKOYQB-OPRDCNLKSA-N 2 0 227.352 0.474 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000868006665 589543826 /nfs/dbraw/zinc/54/38/26/589543826.db2.gz FADSFTMOVKDJDC-BDAKNGLRSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)C1CC[NH2+]CC1 ZINC000868005581 589543978 /nfs/dbraw/zinc/54/39/78/589543978.db2.gz RCBGRGCOLHSCCS-FOGDFJRCSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H](NC(=O)[C@@H](C)C[NH3+])C1CC[NH2+]CC1 ZINC000868006621 589544018 /nfs/dbraw/zinc/54/40/18/589544018.db2.gz VLIOHMIKVPQSAP-DTWKUNHWSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)C1CC[NH2+]CC1 ZINC000868012998 589544272 /nfs/dbraw/zinc/54/42/72/589544272.db2.gz YKTLYZBJIZNANT-ONGXEEELSA-N 2 0 239.363 0.489 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870871536 589693445 /nfs/dbraw/zinc/69/34/45/589693445.db2.gz DPDJHYZWLALFHX-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+](C)CCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870914650 589696699 /nfs/dbraw/zinc/69/66/99/589696699.db2.gz PJNLVFPMNQVESE-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000870937280 589696755 /nfs/dbraw/zinc/69/67/55/589696755.db2.gz YKGXWAKKDVVGJX-OPRDCNLKSA-N 2 0 213.325 0.310 20 0 BCADRP [NH3+]C1(CNC(=O)CC[NH2+]CC2CC2)CCC1 ZINC000870912852 589697001 /nfs/dbraw/zinc/69/70/01/589697001.db2.gz MVFCXNLMEMFDCZ-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP C[NH2+]CCCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870932147 589697598 /nfs/dbraw/zinc/69/75/98/589697598.db2.gz AHCSGDJUZSTRFN-UHFFFAOYSA-N 2 0 225.336 0.244 20 0 BCADRP O=C(CC[NH2+]CC1CC1)NC[C@@H]1CCC[NH2+]C1 ZINC000870934301 589697908 /nfs/dbraw/zinc/69/79/08/589697908.db2.gz KFNOOZMQOWFQSP-GFCCVEGCSA-N 2 0 239.363 0.492 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000870934053 589697951 /nfs/dbraw/zinc/69/79/51/589697951.db2.gz DGPOIOMIJMOYJF-GMTAPVOTSA-N 2 0 225.336 0.311 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870934194 589698094 /nfs/dbraw/zinc/69/80/94/589698094.db2.gz HLDYNVDOEIJLQD-IJLUTSLNSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000870933955 589698170 /nfs/dbraw/zinc/69/81/70/589698170.db2.gz BJZUKVYWABBQGW-BBBLOLIVSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870934193 589698201 /nfs/dbraw/zinc/69/82/01/589698201.db2.gz HLDYNVDOEIJLQD-GRYCIOLGSA-N 2 0 239.363 0.844 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870934958 589698433 /nfs/dbraw/zinc/69/84/33/589698433.db2.gz ICSLQRPDHLMGCQ-AOOOYVTPSA-N 2 0 213.325 0.230 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870935391 589698473 /nfs/dbraw/zinc/69/84/73/589698473.db2.gz WPBLPHWNGGYEPO-BLFANLJRSA-N 2 0 237.347 0.454 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000870934727 589698598 /nfs/dbraw/zinc/69/85/98/589698598.db2.gz FEOGMPPUUVTKPO-IJLUTSLNSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870936955 589698743 /nfs/dbraw/zinc/69/87/43/589698743.db2.gz QUGFPAFZUYOFIN-OUAUKWLOSA-N 2 0 227.352 0.603 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH2+]CC1CC1 ZINC000870937780 589698755 /nfs/dbraw/zinc/69/87/55/589698755.db2.gz SANOVQMAULLVEU-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]C[C@H](NC(=O)CCC12CC(C1)C[NH2+]2)C1CC1 ZINC000870938173 589698821 /nfs/dbraw/zinc/69/88/21/589698821.db2.gz YUPRGFDQXFOTCS-QDYJBQRPSA-N 2 0 237.347 0.372 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870937169 589698996 /nfs/dbraw/zinc/69/89/96/589698996.db2.gz VQSPQMKLRSRABD-IJLUTSLNSA-N 2 0 241.379 0.994 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000870939793 589699235 /nfs/dbraw/zinc/69/92/35/589699235.db2.gz CTABHKGGJCLZMK-XPORZQOISA-N 2 0 237.347 0.500 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870938453 589699332 /nfs/dbraw/zinc/69/93/32/589699332.db2.gz PFYTWFDWQLGYES-BMQDGWLCSA-N 2 0 225.336 0.230 20 0 BCADRP O=C(CC[NH2+]CC1CC1)N[C@H]1CCC[NH2+]CC1 ZINC000870941594 589699627 /nfs/dbraw/zinc/69/96/27/589699627.db2.gz ZFQDFYFTCQPYMC-LBPRGKRZSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870942434 589699774 /nfs/dbraw/zinc/69/97/74/589699774.db2.gz NHWWHYYDJIFVQU-FBUUZDRASA-N 2 0 237.347 0.371 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)C(F)F ZINC000870944102 589699853 /nfs/dbraw/zinc/69/98/53/589699853.db2.gz BJVKPIXOZGUERL-IWSPIJDZSA-N 2 0 249.305 0.603 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870944085 589699963 /nfs/dbraw/zinc/69/99/63/589699963.db2.gz BICRTTUSFINCTC-YFKTTZPYSA-N 2 0 239.363 0.748 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000870944074 589700076 /nfs/dbraw/zinc/70/00/76/589700076.db2.gz BICRTTUSFINCTC-DDHJBXDOSA-N 2 0 239.363 0.748 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870945880 589700242 /nfs/dbraw/zinc/70/02/42/589700242.db2.gz ORNCNOZCFWPEED-PHIMTYICSA-N 2 0 227.352 0.572 20 0 BCADRP CN(C(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@H](C[NH3+])C1CC1 ZINC000870945709 589700326 /nfs/dbraw/zinc/70/03/26/589700326.db2.gz NBGIXXSOKKAFOI-IJLUTSLNSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000870947037 589700595 /nfs/dbraw/zinc/70/05/95/589700595.db2.gz WRYJYXYHUIUYLH-AEJSXWLSSA-N 2 0 213.325 0.167 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870947465 589700652 /nfs/dbraw/zinc/70/06/52/589700652.db2.gz PSELVHYTKOECIF-YZRBJQDESA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000870948964 589700870 /nfs/dbraw/zinc/70/08/70/589700870.db2.gz XXKLEFQJBLVKQR-UZGDPCLZSA-N 2 0 249.358 0.468 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870954985 589701110 /nfs/dbraw/zinc/70/11/10/589701110.db2.gz MAQZOLIIFOAMHF-UHFFFAOYSA-N 2 0 249.358 0.468 20 0 BCADRP O=C(CCC12CC(C1)C[NH2+]2)NCC12CC(C1)C[NH2+]2 ZINC000870956695 589701653 /nfs/dbraw/zinc/70/16/53/589701653.db2.gz DUDDBBOMLMKJTJ-UHFFFAOYSA-N 2 0 249.358 0.387 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870956820 589701654 /nfs/dbraw/zinc/70/16/54/589701654.db2.gz KAYBPBQXCUMDEE-GRYCIOLGSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870962859 589701831 /nfs/dbraw/zinc/70/18/31/589701831.db2.gz BMEANOUSKQQTTB-SDDRHHMPSA-N 2 0 241.379 0.851 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000870964248 589701907 /nfs/dbraw/zinc/70/19/07/589701907.db2.gz VCRBLQKMASORFG-UTUOFQBUSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000870964433 589702118 /nfs/dbraw/zinc/70/21/18/589702118.db2.gz DCNAMEOYNSRQOQ-AXFHLTTASA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[NH+](C)C ZINC000870965224 589702314 /nfs/dbraw/zinc/70/23/14/589702314.db2.gz LLBBQCLAGSDOFF-KXUCPTDWSA-N 2 0 213.325 0.180 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965620 589702410 /nfs/dbraw/zinc/70/24/10/589702410.db2.gz TUJRKVDKHBXVEY-NTZNESFSSA-N 2 0 247.342 0.848 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965624 589702417 /nfs/dbraw/zinc/70/24/17/589702417.db2.gz LZFIZBYEFBDOIA-AOOOYVTPSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965911 589702475 /nfs/dbraw/zinc/70/24/75/589702475.db2.gz XWYBRRTZZUTZSX-ZNSHCXBVSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+][C@@H](C(=O)NC[C@@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000870969115 589702624 /nfs/dbraw/zinc/70/26/24/589702624.db2.gz UNLGEGDGYRXIQN-YUSALJHKSA-N 2 0 233.315 0.540 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870981481 589703076 /nfs/dbraw/zinc/70/30/76/589703076.db2.gz IXTCKXWOFKATSV-HBNTYKKESA-N 2 0 225.336 0.276 20 0 BCADRP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)[NH+](C)C ZINC000870971423 589703224 /nfs/dbraw/zinc/70/32/24/589703224.db2.gz LLBBQCLAGSDOFF-GUBZILKMSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)[NH+](C)C ZINC000870971638 589703266 /nfs/dbraw/zinc/70/32/66/589703266.db2.gz QJPRSYRKMVKVPT-DCAQKATOSA-N 2 0 227.352 0.426 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870971739 589703276 /nfs/dbraw/zinc/70/32/76/589703276.db2.gz HMJHJHWZPLSBGS-DBIOUOCHSA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)[NH+](C)C ZINC000870971424 589703284 /nfs/dbraw/zinc/70/32/84/589703284.db2.gz LLBBQCLAGSDOFF-OPRDCNLKSA-N 2 0 213.325 0.180 20 0 BCADRP [NH3+]CC1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCCC1 ZINC000870972370 589703480 /nfs/dbraw/zinc/70/34/80/589703480.db2.gz ZCUVLPYSEFHYFS-MGCOHNPYSA-N 2 0 225.336 0.359 20 0 BCADRP [NH3+]C[C@@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000870972235 589703505 /nfs/dbraw/zinc/70/35/05/589703505.db2.gz WYNFUZVTBKTDNG-RAIGVLPGSA-N 2 0 247.342 0.582 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972333 589703714 /nfs/dbraw/zinc/70/37/14/589703714.db2.gz XXRKODCYGKGAHI-MGCOHNPYSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974755 589703961 /nfs/dbraw/zinc/70/39/61/589703961.db2.gz PNJGZNQEQBHPNP-USZNOCQGSA-N 2 0 239.363 0.617 20 0 BCADRP C[NH+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870975132 589703964 /nfs/dbraw/zinc/70/39/64/589703964.db2.gz QMTZVGUMCVLUKH-JGPRNRPPSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870975710 589704016 /nfs/dbraw/zinc/70/40/16/589704016.db2.gz ZAAHRDVPUDUBGS-YFKTTZPYSA-N 2 0 239.363 0.761 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870975720 589704085 /nfs/dbraw/zinc/70/40/85/589704085.db2.gz ZELYAWSTKKXQPK-LMLFDSFASA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870994189 589704517 /nfs/dbraw/zinc/70/45/17/589704517.db2.gz ORCYQCSBYXKMGS-MFKMUULPSA-N 2 0 241.379 0.805 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870980758 589704532 /nfs/dbraw/zinc/70/45/32/589704532.db2.gz BOIJITJJODSUFE-FIQHERPVSA-N 2 0 239.363 0.522 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870981523 589704739 /nfs/dbraw/zinc/70/47/39/589704739.db2.gz JGKAZQOBRMKGBL-GRYCIOLGSA-N 2 0 239.363 0.522 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870981597 589704769 /nfs/dbraw/zinc/70/47/69/589704769.db2.gz JOMIBEZKXVQGRG-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870980853 589704795 /nfs/dbraw/zinc/70/47/95/589704795.db2.gz CZYYWVFPBZAHOE-VWYCJHECSA-N 2 0 225.336 0.276 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870982962 589705056 /nfs/dbraw/zinc/70/50/56/589705056.db2.gz QZOSNTHVKKVORR-MNOVXSKESA-N 2 0 225.336 0.149 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870985470 589706183 /nfs/dbraw/zinc/70/61/83/589706183.db2.gz FARGRIZKSHPVLB-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870986054 589706189 /nfs/dbraw/zinc/70/61/89/589706189.db2.gz CZIBHQLFONZMNQ-WCBMZHEXSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870987527 589707118 /nfs/dbraw/zinc/70/71/18/589707118.db2.gz LAFVPGRMCSUVLI-ONGXEEELSA-N 2 0 227.352 0.489 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870994919 589707715 /nfs/dbraw/zinc/70/77/15/589707715.db2.gz YDSDFMKJZQOIDK-ZWNOBZJWSA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000870994974 589707918 /nfs/dbraw/zinc/70/79/18/589707918.db2.gz ZRYXUZWVNNWYDU-ZWNOBZJWSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870991650 589708225 /nfs/dbraw/zinc/70/82/25/589708225.db2.gz FXQDZWDVTIXCES-JOYOIKCWSA-N 2 0 227.352 0.557 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000123621760 589757212 /nfs/dbraw/zinc/75/72/12/589757212.db2.gz IOJUODWLRNMDKI-GFCCVEGCSA-N 2 0 239.363 0.666 20 0 BCADRP COCCN(C)C(=[NH2+])NCC[NH+]1CCCC1 ZINC000871603261 589773433 /nfs/dbraw/zinc/77/34/33/589773433.db2.gz LYMVEXDREGCFCC-UHFFFAOYSA-N 2 0 228.340 0.185 20 0 BCADRP COCCN(C)C(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000871603725 589774152 /nfs/dbraw/zinc/77/41/52/589774152.db2.gz FHMPBMMIZNXPDF-UHFFFAOYSA-N 2 0 242.367 0.431 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000123748573 589792655 /nfs/dbraw/zinc/79/26/55/589792655.db2.gz BDBSWYVFPIZQOV-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP O[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000872141056 589881906 /nfs/dbraw/zinc/88/19/06/589881906.db2.gz JLUAMZFODFUSIP-FDYHWXHSSA-N 2 0 240.347 0.353 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H]1CCc3ncnn31)C2 ZINC000872153965 589884606 /nfs/dbraw/zinc/88/46/06/589884606.db2.gz KXDPAKCGMNOKFC-DMDPSCGWSA-N 2 0 247.346 0.307 20 0 BCADRP Cn1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1=O ZINC000872153607 589885009 /nfs/dbraw/zinc/88/50/09/589885009.db2.gz MFQHWFNXIRMTJG-GXTWGEPZSA-N 2 0 247.342 0.427 20 0 BCADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)CC(C)(C)O ZINC000872201712 589891032 /nfs/dbraw/zinc/89/10/32/589891032.db2.gz HXKXTPSUUIIIEX-GHMZBOCLSA-N 2 0 232.368 0.438 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872257275 589901272 /nfs/dbraw/zinc/90/12/72/589901272.db2.gz CGHFJWHPMSVFDI-ZJUUUORDSA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000124015774 589903688 /nfs/dbraw/zinc/90/36/88/589903688.db2.gz DAKMPFJNJDCSRM-NSHDSACASA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH2+]CCC1(C)C ZINC000872298592 589907900 /nfs/dbraw/zinc/90/79/00/589907900.db2.gz NZRUNDVOBQPAMK-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CC[NH2+]CCC1(C)C ZINC000872297611 589908370 /nfs/dbraw/zinc/90/83/70/589908370.db2.gz SCCYJQWHAZQLGZ-JTQLQIEISA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000872311518 589909258 /nfs/dbraw/zinc/90/92/58/589909258.db2.gz PAXVMLKQGLGMMZ-XPORZQOISA-N 2 0 237.347 0.500 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000872311581 589909614 /nfs/dbraw/zinc/90/96/14/589909614.db2.gz RPDLWAOAKCNJSN-SVPLCASGSA-N 2 0 249.358 0.467 20 0 BCADRP C[NH+](C)CCCNC(=O)CCCCCC[NH3+] ZINC000019440219 589913719 /nfs/dbraw/zinc/91/37/19/589913719.db2.gz MSQDPLGGNYYWHK-UHFFFAOYSA-N 2 0 229.368 0.964 20 0 BCADRP O[C@H]1CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873202988 589992681 /nfs/dbraw/zinc/99/26/81/589992681.db2.gz LARADPZGPGUBBI-JTQLQIEISA-N 2 0 238.356 0.960 20 0 BCADRP Nc1cnc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cn1 ZINC000873210206 589994930 /nfs/dbraw/zinc/99/49/30/589994930.db2.gz YUDRDMJKHCZIPW-SNVBAGLBSA-N 2 0 235.335 0.620 20 0 BCADRP C(N1CC[C@@]2(C1)CCC[NH2+]C2)C12CC(C1)C[NH2+]2 ZINC000873209053 589995205 /nfs/dbraw/zinc/99/52/05/589995205.db2.gz IAQMMBRQVPFFNQ-MOKVOYLWSA-N 2 0 235.375 0.814 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1Cc1cnc(N)cn1 ZINC000873214090 589997084 /nfs/dbraw/zinc/99/70/84/589997084.db2.gz XNWCGJNBHZNBAE-RKDXNWHRSA-N 2 0 221.308 0.370 20 0 BCADRP C[C@@H]1CCN(Cc2cnc(N)cn2)C[C@H]1C[NH3+] ZINC000873214003 589997110 /nfs/dbraw/zinc/99/71/10/589997110.db2.gz ULIXFOVPWOUTOK-NXEZZACHSA-N 2 0 235.335 0.476 20 0 BCADRP FC1(F)CC[NH2+]C[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000873212728 589997128 /nfs/dbraw/zinc/99/71/28/589997128.db2.gz RCBAXXQDVQFEPQ-KYHHOPLUSA-N 2 0 231.290 0.325 20 0 BCADRP C[C@H]1CCN(Cc2cnc(N)cn2)C[C@H]1C[NH3+] ZINC000873214005 589997308 /nfs/dbraw/zinc/99/73/08/589997308.db2.gz ULIXFOVPWOUTOK-VHSXEESVSA-N 2 0 235.335 0.476 20 0 BCADRP Nc1cnc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000873214027 589997457 /nfs/dbraw/zinc/99/74/57/589997457.db2.gz VCMDPWYCTGRSGJ-GWCFXTLKSA-N 2 0 247.346 0.620 20 0 BCADRP Nc1cnc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cn1 ZINC000873212897 589997509 /nfs/dbraw/zinc/99/75/09/589997509.db2.gz RRYVVQQFYOZTRO-IUCAKERBSA-N 2 0 221.308 0.276 20 0 BCADRP C[C@]1(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)CC[NH2+]C1 ZINC000873217348 589998081 /nfs/dbraw/zinc/99/80/81/589998081.db2.gz JXCQXKMWVOLZKX-GLBINXAQSA-N 2 0 236.359 0.999 20 0 BCADRP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CC[NH2+]CC1 ZINC000873219956 589999095 /nfs/dbraw/zinc/99/90/95/589999095.db2.gz HVXMHUNTCHXLLO-XSRFYTQQSA-N 3 0 223.364 0.716 20 0 BCADRP C[C@H]([NH2+][C@H]1CCCNC1)C1CC[NH2+]CC1 ZINC000873221060 589999578 /nfs/dbraw/zinc/99/95/78/589999578.db2.gz ZBXONSPDTFZLHR-JQWIXIFHSA-N 2 0 211.353 0.716 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(CC34CC(C3)C[NH2+]4)CC[C@H]21 ZINC000873221848 589999593 /nfs/dbraw/zinc/99/95/93/589999593.db2.gz RNEAODFPDDCLAS-YIFLHPOLSA-N 2 0 235.375 0.764 20 0 BCADRP C[C@@H]([NH2+][C@H]1CNC[C@H](C)C1)C1CC[NH2+]CC1 ZINC000873221021 589999631 /nfs/dbraw/zinc/99/96/31/589999631.db2.gz XEWXGMHXMPNWDI-NQBHXWOUSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(CC1(C[NH3+])CC1)C2 ZINC000873229239 590001006 /nfs/dbraw/zinc/00/10/06/590001006.db2.gz PZDKLLOJHDJZFA-WDEREUQCSA-N 2 0 209.337 0.267 20 0 BCADRP CC(C)[C@@H](C[NH3+])C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873229317 590002173 /nfs/dbraw/zinc/00/21/73/590002173.db2.gz RSXVMOKTQBGVES-RWMBFGLXSA-N 3 0 225.380 0.759 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873250900 590008695 /nfs/dbraw/zinc/00/86/95/590008695.db2.gz RJMRALJIXPPOII-YFKTTZPYSA-N 3 0 211.353 0.701 20 0 BCADRP C[C@@H](CCCCO)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873252810 590008843 /nfs/dbraw/zinc/00/88/43/590008843.db2.gz VUKJLHKUXFNJTQ-GARJFASQSA-N 2 0 200.326 0.864 20 0 BCADRP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873252669 590008909 /nfs/dbraw/zinc/00/89/09/590008909.db2.gz VAWAWVVNIWXTGF-GARJFASQSA-N 2 0 208.309 0.599 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1nccn1C ZINC000873252211 590009211 /nfs/dbraw/zinc/00/92/11/590009211.db2.gz QDGQQLBMDGPWCB-LPEHRKFASA-N 2 0 208.309 0.808 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CN1C1CC1 ZINC000873253971 590009843 /nfs/dbraw/zinc/00/98/43/590009843.db2.gz IHOWCSVJMMMFAC-WISYIIOYSA-N 2 0 223.364 0.939 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000873256534 590011968 /nfs/dbraw/zinc/01/19/68/590011968.db2.gz OYBZJBKTPKJQEN-DDHJBXDOSA-N 3 0 211.353 0.973 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260120 590013418 /nfs/dbraw/zinc/01/34/18/590013418.db2.gz SSMMLLUEIBEQGM-CHWFTXMASA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccnn1C ZINC000873259143 590013514 /nfs/dbraw/zinc/01/35/14/590013514.db2.gz ZYNCLBCYHIYMQF-OPRDCNLKSA-N 2 0 208.309 0.808 20 0 BCADRP C[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000873271978 590015954 /nfs/dbraw/zinc/01/59/54/590015954.db2.gz OBCOLGDCNRJSFB-GMXVVIOVSA-N 2 0 225.380 0.914 20 0 BCADRP C[C@H]([NH2+][C@@H]1CNCC[C@H]1C)C1CC[NH2+]CC1 ZINC000873272407 590016139 /nfs/dbraw/zinc/01/61/39/590016139.db2.gz RVEKBRDWAVUCFY-NTZNESFSSA-N 2 0 225.380 0.962 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873271835 590016498 /nfs/dbraw/zinc/01/64/98/590016498.db2.gz MIOYVKGHXXYENN-AAEUAGOBSA-N 3 0 243.395 0.718 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cncn1C ZINC000873276261 590017315 /nfs/dbraw/zinc/01/73/15/590017315.db2.gz OEKGUDUGDWJKPD-CMPLNLGQSA-N 2 0 222.336 0.898 20 0 BCADRP Cc1nonc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000873295415 590024542 /nfs/dbraw/zinc/02/45/42/590024542.db2.gz IAORAJFOYMLDER-GMTAPVOTSA-N 2 0 236.319 0.856 20 0 BCADRP O=C(C[NH+]1CCCC1)NCC[NH+]1CCCC1 ZINC000873841287 590074349 /nfs/dbraw/zinc/07/43/49/590074349.db2.gz LSCLMVCQLXAEEL-UHFFFAOYSA-N 2 0 225.336 0.294 20 0 BCADRP Cn1ccc(C[NH2+]C2CCC([NH3+])CC2)n1 ZINC000124710255 590075904 /nfs/dbraw/zinc/07/59/04/590075904.db2.gz KQAWAZLYKOENKU-UHFFFAOYSA-N 2 0 208.309 0.780 20 0 BCADRP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC000874338205 590104647 /nfs/dbraw/zinc/10/46/47/590104647.db2.gz VRWITXDJYAKRKH-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C)[NH+](C)C ZINC000874822167 590141164 /nfs/dbraw/zinc/14/11/64/590141164.db2.gz GKIBRNVPZUCDEM-WOPDTQHZSA-N 2 0 239.363 0.632 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC1([NH+](C)C)CCCC1 ZINC000125657943 590176583 /nfs/dbraw/zinc/17/65/83/590176583.db2.gz ZGAAGVPODWLCQF-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CC1(C)[C@H](C(=O)N2CCC([NH3+])CC2)C[C@@H]1[NH3+] ZINC000876501943 590203365 /nfs/dbraw/zinc/20/33/65/590203365.db2.gz SAYUGQGNEAJWEM-UWVGGRQHSA-N 2 0 225.336 0.310 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000876503840 590204010 /nfs/dbraw/zinc/20/40/10/590204010.db2.gz FIKWWAPDPSEGSA-UTLUCORTSA-N 2 0 225.336 0.180 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000876506052 590204425 /nfs/dbraw/zinc/20/44/25/590204425.db2.gz PAVVCXGDUYYWGP-MITNPNDFSA-N 2 0 237.347 0.218 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000876506051 590204642 /nfs/dbraw/zinc/20/46/42/590204642.db2.gz PAVVCXGDUYYWGP-CRTFULIASA-N 2 0 237.347 0.218 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000876508137 590204928 /nfs/dbraw/zinc/20/49/28/590204928.db2.gz UGRXGRLQYOTXJB-WEVUVTRCSA-N 2 0 237.347 0.266 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000876508131 590205030 /nfs/dbraw/zinc/20/50/30/590205030.db2.gz UGRXGRLQYOTXJB-HHVVOZNKSA-N 2 0 237.347 0.266 20 0 BCADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000876508544 590205060 /nfs/dbraw/zinc/20/50/60/590205060.db2.gz PMCRLHIANDCWCB-ABZJQCSKSA-N 2 0 237.347 0.410 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000876508525 590205160 /nfs/dbraw/zinc/20/51/60/590205160.db2.gz OZLLPWQVYMHCJH-GHMZBOCLSA-N 2 0 239.363 0.557 20 0 BCADRP CC1(C)[C@H](C(=O)N2CCC(C[NH3+])CC2)C[C@@H]1[NH3+] ZINC000876508527 590205182 /nfs/dbraw/zinc/20/51/82/590205182.db2.gz OZLLPWQVYMHCJH-QWRGUYRKSA-N 2 0 239.363 0.557 20 0 BCADRP CC[NH2+]CCCNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876510823 590205302 /nfs/dbraw/zinc/20/53/02/590205302.db2.gz XLWKALYAHCSDOS-NNNHXZLVSA-N 2 0 239.363 0.658 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000876513109 590206084 /nfs/dbraw/zinc/20/60/84/590206084.db2.gz HTJOZJKBFHHGNU-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000876514026 590206140 /nfs/dbraw/zinc/20/61/40/590206140.db2.gz SBEVVDPNAZRIGA-GMTAPVOTSA-N 2 0 239.363 0.476 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876513745 590206148 /nfs/dbraw/zinc/20/61/48/590206148.db2.gz IAFPXAWHXUHINW-VWYCJHECSA-N 2 0 243.326 0.192 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000876514729 590206435 /nfs/dbraw/zinc/20/64/35/590206435.db2.gz YLVMJDLYEXAIEU-VXGBXAGGSA-N 2 0 241.379 0.947 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000876518286 590207018 /nfs/dbraw/zinc/20/70/18/590207018.db2.gz OZRMEXCPCPARRQ-LPEHRKFASA-N 2 0 225.336 0.167 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)C1 ZINC000876518761 590207053 /nfs/dbraw/zinc/20/70/53/590207053.db2.gz YSBXELMFMOZYBV-BKGLOODYSA-N 2 0 237.347 0.349 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876520871 590207503 /nfs/dbraw/zinc/20/75/03/590207503.db2.gz FAALJKGTEBGZOQ-BDAKNGLRSA-N 2 0 213.325 0.086 20 0 BCADRP CC(C)(C[NH3+])NC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876523773 590207841 /nfs/dbraw/zinc/20/78/41/590207841.db2.gz DDHUMQPXAYRAAH-WWQCOOJYSA-N 2 0 225.336 0.396 20 0 BCADRP CC(C)(C[NH3+])NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000876524709 590208481 /nfs/dbraw/zinc/20/84/81/590208481.db2.gz WNGZXLYKANIHGE-UHFFFAOYSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]CC1(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)CCCC1 ZINC000876529790 590209707 /nfs/dbraw/zinc/20/97/07/590209707.db2.gz HWEHWAKCUGISSW-XYPYZODXSA-N 2 0 239.363 0.892 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000876530368 590210048 /nfs/dbraw/zinc/21/00/48/590210048.db2.gz MTSSBXQYLCCHEJ-GWOFURMSSA-N 2 0 243.326 0.143 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CC[NH2+]1 ZINC000876530966 590210329 /nfs/dbraw/zinc/21/03/29/590210329.db2.gz WQUNKNQVWHAZJH-BBBLOLIVSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC[NH2+]1 ZINC000876530967 590210359 /nfs/dbraw/zinc/21/03/59/590210359.db2.gz WQUNKNQVWHAZJH-KXUCPTDWSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000876532019 590210406 /nfs/dbraw/zinc/21/04/06/590210406.db2.gz ANXMEAFKNLQUKY-UMNHJUIQSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@H]1CC[C@H]([NH3+])CC1)C1CC1 ZINC000876531019 590210422 /nfs/dbraw/zinc/21/04/22/590210422.db2.gz XWILFHPASBSDCW-IRUJWGPZSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC[C@@H]1[NH3+] ZINC000876533936 590210731 /nfs/dbraw/zinc/21/07/31/590210731.db2.gz XCYCJYNSVULPPQ-RCWTZXSCSA-N 2 0 239.363 0.556 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876534755 590210807 /nfs/dbraw/zinc/21/08/07/590210807.db2.gz DGTHQQZKVZWNGK-ABZJQCSKSA-N 2 0 239.363 0.642 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876534240 590210901 /nfs/dbraw/zinc/21/09/01/590210901.db2.gz ASQVOZIOVLQUST-LOWVWBTDSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876535343 590211381 /nfs/dbraw/zinc/21/13/81/590211381.db2.gz NJGOYYFHLUWQOH-CWSCBRNRSA-N 2 0 241.379 0.849 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)CC[NH2+]CC1CC1 ZINC000876537760 590211598 /nfs/dbraw/zinc/21/15/98/590211598.db2.gz BMKPXNQISMMZOJ-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876538529 590211604 /nfs/dbraw/zinc/21/16/04/590211604.db2.gz SDQJFWFTDTWLGM-ZJUUUORDSA-N 2 0 243.326 0.144 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876538526 590211779 /nfs/dbraw/zinc/21/17/79/590211779.db2.gz SDQJFWFTDTWLGM-NXEZZACHSA-N 2 0 243.326 0.144 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876539799 590211973 /nfs/dbraw/zinc/21/19/73/590211973.db2.gz BUQYLAGVEUFSOO-DCAQKATOSA-N 2 0 243.326 0.144 20 0 BCADRP CN(C(=O)C1=CC[C@H]([NH3+])C1)C1CCC([NH3+])CC1 ZINC000876540386 590212070 /nfs/dbraw/zinc/21/20/70/590212070.db2.gz IQDPVYUNWKEGNK-CXQJBGSLSA-N 2 0 237.347 0.762 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876707298 590232152 /nfs/dbraw/zinc/23/21/52/590232152.db2.gz AODAQJZPLNAOPN-VHSXEESVSA-N 2 0 231.315 0.002 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876708153 590232874 /nfs/dbraw/zinc/23/28/74/590232874.db2.gz YHZSFKBGTLQKPK-NXEZZACHSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876724907 590233098 /nfs/dbraw/zinc/23/30/98/590233098.db2.gz BTINJWTYVLFETG-WDEREUQCSA-N 2 0 241.379 0.818 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)C1CC1 ZINC000876737458 590234762 /nfs/dbraw/zinc/23/47/62/590234762.db2.gz QWADFSUOYIZTLG-ONGXEEELSA-N 2 0 243.326 0.144 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876738352 590235306 /nfs/dbraw/zinc/23/53/06/590235306.db2.gz BGDGNCDPFPIZRB-VWYCJHECSA-N 2 0 245.342 0.390 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876738350 590235446 /nfs/dbraw/zinc/23/54/46/590235446.db2.gz BGDGNCDPFPIZRB-MXWKQRLJSA-N 2 0 245.342 0.390 20 0 BCADRP Cn1ccnc1CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876753564 590237633 /nfs/dbraw/zinc/23/76/33/590237633.db2.gz MHWXYTMIKFRWKL-DTWKUNHWSA-N 2 0 236.319 0.410 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876791869 590242099 /nfs/dbraw/zinc/24/20/99/590242099.db2.gz JFQLBMBWABAUQW-IUCAKERBSA-N 2 0 213.325 0.038 20 0 BCADRP CN1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876789516 590241509 /nfs/dbraw/zinc/24/15/09/590241509.db2.gz CQSRBJVHJLPJPW-ZJUUUORDSA-N 2 0 225.336 0.134 20 0 BCADRP C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000876792929 590241860 /nfs/dbraw/zinc/24/18/60/590241860.db2.gz ZYAMZYLODRXNBP-JTQLQIEISA-N 2 0 213.325 0.006 20 0 BCADRP [NH3+]C1(CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)CCC1 ZINC000876798841 590242556 /nfs/dbraw/zinc/24/25/56/590242556.db2.gz PYKUVFFQDVWVAC-WYGGZMRJSA-N 2 0 237.347 0.540 20 0 BCADRP CC1(C)[C@H](C(=O)NCC2([NH3+])CCC2)C[C@@H]1[NH3+] ZINC000876798294 590242734 /nfs/dbraw/zinc/24/27/34/590242734.db2.gz FYDWWTPWNXOLNX-IUCAKERBSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876796787 590242735 /nfs/dbraw/zinc/24/27/35/590242735.db2.gz NQKSWFVCTBVTAX-HRDYMLBCSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)[C@@H](C)C[NH2+]1 ZINC000876796794 590242881 /nfs/dbraw/zinc/24/28/81/590242881.db2.gz JDLLUUBAMZISJY-RCWTZXSCSA-N 2 0 239.363 0.569 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876806263 590244357 /nfs/dbraw/zinc/24/43/57/590244357.db2.gz MIUOTZGULWNZFF-WDEREUQCSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@H]1CN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000876829199 590246639 /nfs/dbraw/zinc/24/66/39/590246639.db2.gz PXWVKDNFVNYBGN-DFPOMNKCSA-N 2 0 237.347 0.363 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC000876827708 590246667 /nfs/dbraw/zinc/24/66/67/590246667.db2.gz SFFYFLAOQXVDNE-VHSXEESVSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876829271 590246848 /nfs/dbraw/zinc/24/68/48/590246848.db2.gz FUNQRWDUCIYQEW-NDVXOHMPSA-N 2 0 211.309 0.006 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC[NH2+]1 ZINC000876835108 590247966 /nfs/dbraw/zinc/24/79/66/590247966.db2.gz SJFFTSPBTKHWFG-KZVJFYERSA-N 2 0 247.289 0.083 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876837163 590248289 /nfs/dbraw/zinc/24/82/89/590248289.db2.gz HEGJGXVARFBIJE-VDTBFMSJSA-N 2 0 249.358 0.076 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCC[NH2+]1 ZINC000876856282 590250181 /nfs/dbraw/zinc/25/01/81/590250181.db2.gz DSWBQUCXZAMREG-LOWVWBTDSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876860025 590250683 /nfs/dbraw/zinc/25/06/83/590250683.db2.gz QSRZASNRCRRAPA-NXEZZACHSA-N 2 0 241.379 0.994 20 0 BCADRP CN(C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)C1CC([NH3+])C1 ZINC000876862222 590251043 /nfs/dbraw/zinc/25/10/43/590251043.db2.gz KXNNJDSUFXMWIO-HORUIINNSA-N 2 0 225.336 0.308 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000876864195 590251233 /nfs/dbraw/zinc/25/12/33/590251233.db2.gz LCHSZDXUFSFUSL-DTWKUNHWSA-N 2 0 245.273 0.147 20 0 BCADRP CN(C(=O)[C@H](F)[C@@H]1CC[NH2+]C1)C1(C[NH3+])CCC1 ZINC000876867827 590251268 /nfs/dbraw/zinc/25/12/68/590251268.db2.gz NGJMSXHPMLEDSB-NXEZZACHSA-N 2 0 243.326 0.274 20 0 BCADRP CN(C(=O)[C@H]1CC[C@H]([NH3+])CC1)C1(C[NH3+])CCC1 ZINC000876867927 590251462 /nfs/dbraw/zinc/25/14/62/590251462.db2.gz PZRTUHOGSUGBSA-XYPYZODXSA-N 2 0 239.363 0.844 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000876865176 590251492 /nfs/dbraw/zinc/25/14/92/590251492.db2.gz VAJCRGLXCFBIES-JGVFFNPUSA-N 2 0 235.278 0.098 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876865106 590251521 /nfs/dbraw/zinc/25/15/21/590251521.db2.gz ZRFUZKCBIRUWSX-CIUDSAMLSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@@]1(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000876870858 590251973 /nfs/dbraw/zinc/25/19/73/590251973.db2.gz RJVYQLCPBYJGSL-NHCYSSNCSA-N 2 0 225.336 0.372 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1c[nH]cn1 ZINC000876883016 590252759 /nfs/dbraw/zinc/25/27/59/590252759.db2.gz XUUNWTXYSVZSKF-NWRGJWMSSA-N 2 0 234.303 0.438 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876913746 590255945 /nfs/dbraw/zinc/25/59/45/590255945.db2.gz KMWVVTIILPZTSN-BBBLOLIVSA-N 2 0 241.379 0.849 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876922437 590257211 /nfs/dbraw/zinc/25/72/11/590257211.db2.gz ZKUWKIFNWFQUTR-UWVGGRQHSA-N 2 0 227.352 0.428 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000876925080 590257844 /nfs/dbraw/zinc/25/78/44/590257844.db2.gz SXRVUEYNECVTAT-CMPLNLGQSA-N 2 0 225.336 0.339 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876926819 590257876 /nfs/dbraw/zinc/25/78/76/590257876.db2.gz HDRBACPYQDVUNR-BDAKNGLRSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876927821 590258385 /nfs/dbraw/zinc/25/83/85/590258385.db2.gz MZIQEVDXNXODDM-BDAKNGLRSA-N 2 0 231.315 0.178 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876934244 590258554 /nfs/dbraw/zinc/25/85/54/590258554.db2.gz FLEHLSRRNWVSHB-PRRPRFCCSA-N 2 0 239.363 0.784 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876934817 590258575 /nfs/dbraw/zinc/25/85/75/590258575.db2.gz ODRYSVYOBNYXOO-AATLWQCWSA-N 2 0 227.352 0.602 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876933221 590258816 /nfs/dbraw/zinc/25/88/16/590258816.db2.gz JFQOSYDFYNOTPZ-GWOFURMSSA-N 2 0 243.326 0.320 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000876935311 590258938 /nfs/dbraw/zinc/25/89/38/590258938.db2.gz RMLOAEHXDMGGBV-IXYVEGFRSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@]1(C(=O)NCCCCCC[NH3+])C[NH2+]CCO1 ZINC000876938111 590259018 /nfs/dbraw/zinc/25/90/18/590259018.db2.gz QEXMWYUYOOHNBQ-GFCCVEGCSA-N 2 0 243.351 0.000 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCCCCCC[NH3+] ZINC000876938262 590259127 /nfs/dbraw/zinc/25/91/27/590259127.db2.gz XEGBOODHEIWMKL-MNOVXSKESA-N 2 0 241.379 0.995 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876951766 590260196 /nfs/dbraw/zinc/26/01/96/590260196.db2.gz FWYUYOFQGVCIDB-KZVJFYERSA-N 2 0 247.289 0.165 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876951767 590260247 /nfs/dbraw/zinc/26/02/47/590260247.db2.gz FWYUYOFQGVCIDB-XGEHTFHBSA-N 2 0 247.289 0.165 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876958033 590260753 /nfs/dbraw/zinc/26/07/53/590260753.db2.gz PGZLOYSJULRSNH-MLRMMBSGSA-N 2 0 239.363 0.738 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876957795 590260883 /nfs/dbraw/zinc/26/08/83/590260883.db2.gz GYOCNMAGORKMAL-RKDXNWHRSA-N 2 0 231.315 0.130 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)[NH+](C)C ZINC000876960673 590261357 /nfs/dbraw/zinc/26/13/57/590261357.db2.gz JQZFDXKDBSZTMX-OUAUKWLOSA-N 2 0 241.379 0.816 20 0 BCADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)N[C@H]1CC[NH2+]C1 ZINC000876963721 590261863 /nfs/dbraw/zinc/26/18/63/590261863.db2.gz UJNVQDZWNXSLRR-CJOPTALJSA-N 2 0 223.320 0.020 20 0 BCADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)NCC12CC(C1)C[NH2+]2 ZINC000876976178 590263569 /nfs/dbraw/zinc/26/35/69/590263569.db2.gz IZGYIHAPNDSPPM-VINYVNAESA-N 2 0 249.358 0.410 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000876974835 590263688 /nfs/dbraw/zinc/26/36/88/590263688.db2.gz VGGWDXSFPLGQMP-OUFJKUNLSA-N 2 0 249.358 0.266 20 0 BCADRP C[C@@]1(NC(=O)CC[NH2+]CC2CC2)CC[NH2+]C1 ZINC000876979998 590264302 /nfs/dbraw/zinc/26/43/02/590264302.db2.gz CJUFWSZUFPLIKC-GFCCVEGCSA-N 2 0 225.336 0.244 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000876979893 590264306 /nfs/dbraw/zinc/26/43/06/590264306.db2.gz BHWQZJKFYCELRS-PTRXPTGYSA-N 2 0 225.336 0.228 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)CC[NH2+]CC1CC1 ZINC000876978801 590264312 /nfs/dbraw/zinc/26/43/12/590264312.db2.gz VGIVTHLGYKZFPT-SECBINFHSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876978686 590264428 /nfs/dbraw/zinc/26/44/28/590264428.db2.gz STQHZIZINFWGSL-UMNHJUIQSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@]1(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]C1 ZINC000876981244 590264721 /nfs/dbraw/zinc/26/47/21/590264721.db2.gz SBZZRDCRCASQSJ-NHCYSSNCSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+][C@@H](CC(=O)N[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000877006286 590268513 /nfs/dbraw/zinc/26/85/13/590268513.db2.gz ZHMUPSYOLSPCAR-WDEREUQCSA-N 2 0 237.347 0.515 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000877023274 590270627 /nfs/dbraw/zinc/27/06/27/590270627.db2.gz LQLPXDFBXIZDLE-FIQHERPVSA-N 2 0 239.363 0.761 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000877081423 590279781 /nfs/dbraw/zinc/27/97/81/590279781.db2.gz AWRGAOXEDCFLNT-AXFHLTTASA-N 2 0 239.363 0.570 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000877081474 590280114 /nfs/dbraw/zinc/28/01/14/590280114.db2.gz CGNIGQKYXLSANW-GARJFASQSA-N 2 0 243.326 0.144 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000877095409 590281712 /nfs/dbraw/zinc/28/17/12/590281712.db2.gz LUPPPMXUXATTJB-ZWNOBZJWSA-N 2 0 247.342 0.679 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)CCCCCC[NH3+] ZINC000877095853 590281812 /nfs/dbraw/zinc/28/18/12/590281812.db2.gz SRFSMRNGGOTZDH-SNVBAGLBSA-N 2 0 215.341 0.701 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000877095362 590282099 /nfs/dbraw/zinc/28/20/99/590282099.db2.gz KWTKTUNZPIHDIS-ONGXEEELSA-N 2 0 221.304 0.492 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000877095025 590282111 /nfs/dbraw/zinc/28/21/11/590282111.db2.gz GTVNNLALYVQYMY-JQWIXIFHSA-N 2 0 235.331 0.362 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)CCCCCC[NH3+] ZINC000877095851 590282163 /nfs/dbraw/zinc/28/21/63/590282163.db2.gz SRFSMRNGGOTZDH-JTQLQIEISA-N 2 0 215.341 0.701 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000877095224 590282185 /nfs/dbraw/zinc/28/21/85/590282185.db2.gz JBAVNWVNDCUHKK-JTQLQIEISA-N 2 0 247.342 0.288 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)CCC1CC[NH2+]CC1 ZINC000877102916 590283752 /nfs/dbraw/zinc/28/37/52/590283752.db2.gz OVHBUSGSSAOYRY-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)N(C)C[C@H](C)[NH3+])cc1 ZINC000877103305 590283757 /nfs/dbraw/zinc/28/37/57/590283757.db2.gz TWJRDJAYFQFCQN-CMPLNLGQSA-N 2 0 235.331 0.800 20 0 BCADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877102505 590283827 /nfs/dbraw/zinc/28/38/27/590283827.db2.gz JDSBDKKDOLGIBG-SECBINFHSA-N 2 0 201.314 0.132 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000877102677 590283857 /nfs/dbraw/zinc/28/38/57/590283857.db2.gz LAORDQKEHWPHND-MXWKQRLJSA-N 2 0 227.352 0.665 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000877103767 590284111 /nfs/dbraw/zinc/28/41/11/590284111.db2.gz ZWUNASYNOYVOBE-ZMLRMANQSA-N 2 0 239.363 0.428 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103646 590284204 /nfs/dbraw/zinc/28/42/04/590284204.db2.gz XCSFCZPOAAGHLI-YIZRAAEISA-N 2 0 201.314 0.165 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH3+] ZINC000877103923 590284242 /nfs/dbraw/zinc/28/42/42/590284242.db2.gz WUNAYMQSOVPWBY-WDEREUQCSA-N 2 0 227.352 0.666 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103920 590284364 /nfs/dbraw/zinc/28/43/64/590284364.db2.gz WUNAYMQSOVPWBY-GHMZBOCLSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000877104500 590284733 /nfs/dbraw/zinc/28/47/33/590284733.db2.gz HOEHYJHEJPXKDS-KXUCPTDWSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000877105348 590284944 /nfs/dbraw/zinc/28/49/44/590284944.db2.gz OJPXFDFXZRFBKG-GWCFXTLKSA-N 2 0 247.342 0.679 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877107411 590285734 /nfs/dbraw/zinc/28/57/34/590285734.db2.gz FDFSIRZEKCXFCA-FOGDFJRCSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC000877107564 590286063 /nfs/dbraw/zinc/28/60/63/590286063.db2.gz IYNYACDIAGHTFA-SECBINFHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000877108012 590286220 /nfs/dbraw/zinc/28/62/20/590286220.db2.gz NYJCNWKRTQBOSP-CIUDSAMLSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)CC[NH2+]CC1CC1 ZINC000877109057 590286424 /nfs/dbraw/zinc/28/64/24/590286424.db2.gz ZBXQATBWODAQAU-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000877111942 590287268 /nfs/dbraw/zinc/28/72/68/590287268.db2.gz PDEFQOFAUQZOBS-QEYWKRMJSA-N 2 0 225.336 0.226 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000877126407 590289893 /nfs/dbraw/zinc/28/98/93/590289893.db2.gz JYTCGFGTMUGHAL-GHMZBOCLSA-N 2 0 239.363 0.857 20 0 BCADRP CC[NH2+]CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000877128097 590290108 /nfs/dbraw/zinc/29/01/08/590290108.db2.gz DDFYXKGLPSHMKZ-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877152659 590292636 /nfs/dbraw/zinc/29/26/36/590292636.db2.gz PICQIBZYKKLZRB-GHMZBOCLSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877152660 590292638 /nfs/dbraw/zinc/29/26/38/590292638.db2.gz PICQIBZYKKLZRB-WDEREUQCSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877153170 590292667 /nfs/dbraw/zinc/29/26/67/590292667.db2.gz UHUYKPUWKJDEPI-DCAQKATOSA-N 2 0 241.379 0.864 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877153237 590292955 /nfs/dbraw/zinc/29/29/55/590292955.db2.gz UQGPZAOKKLTSPA-JTQLQIEISA-N 2 0 227.352 0.490 20 0 BCADRP CC1(C)CC[C@@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)[NH2+]C1 ZINC000877155563 590293555 /nfs/dbraw/zinc/29/35/55/590293555.db2.gz VVVYRMLZCPSWAM-AXFHLTTASA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)CC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)[NH2+]C1 ZINC000877158651 590293797 /nfs/dbraw/zinc/29/37/97/590293797.db2.gz WNYSCEDQVXCKES-MNOVXSKESA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000877171984 590296378 /nfs/dbraw/zinc/29/63/78/590296378.db2.gz IIWOFHWWNOXAOV-QDMLRJGXSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)c1cccc(C[NH3+])c1 ZINC000877174119 590296532 /nfs/dbraw/zinc/29/65/32/590296532.db2.gz AOPLNSMQNWFDSE-CABZTGNLSA-N 2 0 233.315 0.707 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000877176865 590297224 /nfs/dbraw/zinc/29/72/24/590297224.db2.gz PWDNCAPWMOMJCI-FKTZTGRPSA-N 2 0 211.309 0.062 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@H]([NH3+])C1CCC1 ZINC000877185495 590298460 /nfs/dbraw/zinc/29/84/60/590298460.db2.gz CDOIQHIBEUSVGV-QWKFWESOSA-N 2 0 237.347 0.596 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)CCC1C[NH2+]C1 ZINC000877184028 590298510 /nfs/dbraw/zinc/29/85/10/590298510.db2.gz AIUNKONXPJMJLO-UHFFFAOYSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)C[C@H]([NH3+])C1CC1 ZINC000877187889 590298665 /nfs/dbraw/zinc/29/86/65/590298665.db2.gz LKQXCVZOALENNJ-AKJDGMEZSA-N 2 0 237.347 0.596 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187777 590298728 /nfs/dbraw/zinc/29/87/28/590298728.db2.gz GXSYLIKXRNWRJQ-UHFFFAOYSA-N 2 0 246.314 0.590 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877192039 590298905 /nfs/dbraw/zinc/29/89/05/590298905.db2.gz ISAWZZBUGSIZHL-RUETXSTFSA-N 2 0 239.363 0.842 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1CCCC[NH2+]1 ZINC000877191714 590298936 /nfs/dbraw/zinc/29/89/36/590298936.db2.gz CKCZYRQFWXFPLO-AKJDGMEZSA-N 2 0 237.347 0.611 20 0 BCADRP [NH3+]CC1(NC(=O)C[C@H]([NH3+])C2CC2)CCCCC1 ZINC000877205667 590301012 /nfs/dbraw/zinc/30/10/12/590301012.db2.gz PXEQMTVIBQXCEB-NSHDSACASA-N 2 0 239.363 0.892 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877248936 590301618 /nfs/dbraw/zinc/30/16/18/590301618.db2.gz GJJSLFAKVADMHI-QWRGUYRKSA-N 2 0 225.336 0.149 20 0 BCADRP C[NH+](C)CC1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000877240965 590302136 /nfs/dbraw/zinc/30/21/36/590302136.db2.gz HQJDFJBVPMZDBS-AOOOYVTPSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000877243406 590302504 /nfs/dbraw/zinc/30/25/04/590302504.db2.gz KHTREEAJRYFYES-NAKRPEOUSA-N 2 0 225.336 0.228 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000877243387 590302799 /nfs/dbraw/zinc/30/27/99/590302799.db2.gz PWYSMAAQUNJKQT-UHTWSYAYSA-N 2 0 247.342 0.848 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877243416 590302805 /nfs/dbraw/zinc/30/28/05/590302805.db2.gz KTZXTHSRUFOCEY-DCAQKATOSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000877244873 590302992 /nfs/dbraw/zinc/30/29/92/590302992.db2.gz SUIJUTYOLJJVAZ-AOOOYVTPSA-N 2 0 225.336 0.502 20 0 BCADRP C[C@]1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000877244066 590303027 /nfs/dbraw/zinc/30/30/27/590303027.db2.gz UGPVDRDMLXSHJX-NHCYSSNCSA-N 2 0 225.336 0.230 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3C[C@H]([NH3+])C3)CC[C@@H]21 ZINC000877250376 590303542 /nfs/dbraw/zinc/30/35/42/590303542.db2.gz PNHQDZOKQAUEJF-BJDJZHNGSA-N 2 0 237.347 0.276 20 0 BCADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000877246802 590303594 /nfs/dbraw/zinc/30/35/94/590303594.db2.gz QCEWCKKCQWTYEN-LYUGOTMTSA-N 2 0 249.358 0.384 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877251055 590303964 /nfs/dbraw/zinc/30/39/64/590303964.db2.gz WYHGDNXUTMPESO-UTUOFQBUSA-N 2 0 239.363 0.537 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000877258737 590304094 /nfs/dbraw/zinc/30/40/94/590304094.db2.gz WUXUTDNDVQXXHS-GMTAPVOTSA-N 2 0 243.326 0.274 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC000877255009 590304333 /nfs/dbraw/zinc/30/43/33/590304333.db2.gz MIPGHIAZEJOFIE-JQWIXIFHSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877271831 590305638 /nfs/dbraw/zinc/30/56/38/590305638.db2.gz FHJNUQBATIZHBP-GUBZILKMSA-N 2 0 211.309 0.077 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877272292 590305643 /nfs/dbraw/zinc/30/56/43/590305643.db2.gz HIVBKTAJHCAEEU-OUAUKWLOSA-N 2 0 225.336 0.337 20 0 BCADRP [NH3+]C1(CC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000877271962 590305683 /nfs/dbraw/zinc/30/56/83/590305683.db2.gz FOFLKRHMXUCIDG-VHSXEESVSA-N 2 0 223.320 0.221 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877275250 590305822 /nfs/dbraw/zinc/30/58/22/590305822.db2.gz QVUDEASJTOKKFV-NEPJUHHUSA-N 2 0 237.347 0.481 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877283705 590306601 /nfs/dbraw/zinc/30/66/01/590306601.db2.gz QEVKSEBKIIHRIM-AXFHLTTASA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877284752 590306795 /nfs/dbraw/zinc/30/67/95/590306795.db2.gz VZKKAZGWQUVWQI-VXGBXAGGSA-N 2 0 239.363 0.680 20 0 BCADRP [NH3+]CCCCCC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877282771 590307039 /nfs/dbraw/zinc/30/70/39/590307039.db2.gz NAZJHRGAEVNCRJ-NWDGAFQWSA-N 2 0 239.363 0.858 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877288781 590307120 /nfs/dbraw/zinc/30/71/20/590307120.db2.gz QTGVRDDCJBOPPT-QJPTWQEYSA-N 2 0 237.347 0.481 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877287525 590307258 /nfs/dbraw/zinc/30/72/58/590307258.db2.gz LQKYJPXLVYNVJG-GARJFASQSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877288473 590307346 /nfs/dbraw/zinc/30/73/46/590307346.db2.gz PFBNTBFCBQXQAY-GUBZILKMSA-N 2 0 211.309 0.077 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000877292901 590307711 /nfs/dbraw/zinc/30/77/11/590307711.db2.gz GFTQBFJXXRZMRI-NQYKUJLISA-N 2 0 239.363 0.890 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877340022 590317769 /nfs/dbraw/zinc/31/77/69/590317769.db2.gz ITLLYVXJNOCFFL-GXFFZTMASA-N 2 0 247.342 0.425 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877342830 590318283 /nfs/dbraw/zinc/31/82/83/590318283.db2.gz FWWKABKVOPGZFB-MFKMUULPSA-N 2 0 247.342 0.412 20 0 BCADRP [NH3+]C1(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000877346773 590318931 /nfs/dbraw/zinc/31/89/31/590318931.db2.gz HSWNZFTYAVPLNO-GFCCVEGCSA-N 2 0 245.326 0.308 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C[C@H]1CCC[NH2+]1)C2 ZINC000877379077 590319678 /nfs/dbraw/zinc/31/96/78/590319678.db2.gz CSBBTHOJQCQNRX-DMDPSCGWSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1coc(C[NH3+])c1)C2 ZINC000877375203 590319684 /nfs/dbraw/zinc/31/96/84/590319684.db2.gz USZBZRMICFARPV-GXFFZTMASA-N 2 0 249.314 0.420 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373993 590320015 /nfs/dbraw/zinc/32/00/15/590320015.db2.gz SOFNELHPEYRYRQ-MWGHHZFTSA-N 2 0 225.336 0.038 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877386071 590320460 /nfs/dbraw/zinc/32/04/60/590320460.db2.gz GIJWZIITYRJCPN-JQWIXIFHSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H](C(=O)N[C@]12CCC[C@H]1[NH2+]CC2)[NH+](C)C ZINC000877384651 590320492 /nfs/dbraw/zinc/32/04/92/590320492.db2.gz KZSGPXPUOVZPIU-UMNHJUIQSA-N 2 0 225.336 0.337 20 0 BCADRP O=C(CCC1C[NH2+]C1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877384601 590320559 /nfs/dbraw/zinc/32/05/59/590320559.db2.gz KFOYPCRQMUUJOQ-DGCLKSJQSA-N 2 0 237.347 0.387 20 0 BCADRP CC[C@H](C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2)[NH+](C)C ZINC000877385548 590320693 /nfs/dbraw/zinc/32/06/93/590320693.db2.gz LKKPMCXKCLWWSR-NTZNESFSSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877380030 590320702 /nfs/dbraw/zinc/32/07/02/590320702.db2.gz PFYGJIXOGKEYML-GXFFZTMASA-N 2 0 239.363 0.572 20 0 BCADRP O=C(CC[NH2+]C1CC1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877386205 590320737 /nfs/dbraw/zinc/32/07/37/590320737.db2.gz HCYITEPAMHSKTH-AAEUAGOBSA-N 2 0 237.347 0.529 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000877384157 590321004 /nfs/dbraw/zinc/32/10/04/590321004.db2.gz DMJAEQBQXBKXJD-NQBHXWOUSA-N 2 0 235.331 0.435 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877386073 590321071 /nfs/dbraw/zinc/32/10/71/590321071.db2.gz GIJWZIITYRJCPN-PWSUYJOCSA-N 2 0 225.336 0.385 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)co1 ZINC000877389802 590321769 /nfs/dbraw/zinc/32/17/69/590321769.db2.gz GLKBLLPGEQEMRG-YPMHNXCESA-N 2 0 249.314 0.753 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877393150 590322048 /nfs/dbraw/zinc/32/20/48/590322048.db2.gz WDASVUHAHSVEIA-CWSCBRNRSA-N 2 0 237.347 0.385 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391082 590322112 /nfs/dbraw/zinc/32/21/12/590322112.db2.gz MLQBBYSAXATDDX-VHSKPIJISA-N 2 0 247.289 0.370 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877391489 590322326 /nfs/dbraw/zinc/32/23/26/590322326.db2.gz NZERPMMRIICRPQ-YPMHNXCESA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877392630 590322349 /nfs/dbraw/zinc/32/23/49/590322349.db2.gz UNWSSSZDJDGUJA-UXCLJVHYSA-N 2 0 225.336 0.371 20 0 BCADRP O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@@]1(F)CC[NH2+]C1 ZINC000877398013 590323081 /nfs/dbraw/zinc/32/30/81/590323081.db2.gz ADZDIPSELRNMJN-JLLWLGSASA-N 2 0 241.310 0.089 20 0 BCADRP [NH3+]C1(CC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CCC1 ZINC000877398821 590323086 /nfs/dbraw/zinc/32/30/86/590323086.db2.gz HJFHSJCSPOXJBA-ZWNOBZJWSA-N 2 0 237.347 0.659 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877399271 590323339 /nfs/dbraw/zinc/32/33/39/590323339.db2.gz LVNOLGBWUGXOLR-QXEWZRGKSA-N 2 0 211.309 0.125 20 0 BCADRP O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)C1CC[NH2+]CC1 ZINC000877400797 590323750 /nfs/dbraw/zinc/32/37/50/590323750.db2.gz WPRIJGYJEUXLMT-AAEUAGOBSA-N 2 0 237.347 0.387 20 0 BCADRP [NH3+]CC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877401696 590323786 /nfs/dbraw/zinc/32/37/86/590323786.db2.gz MPALGAYTUHULHV-JTQLQIEISA-N 2 0 225.336 0.374 20 0 BCADRP [NH3+]CCC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877401523 590323926 /nfs/dbraw/zinc/32/39/26/590323926.db2.gz HDUWNTYSDPWWMZ-NSHDSACASA-N 2 0 239.363 0.764 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877399613 590324314 /nfs/dbraw/zinc/32/43/14/590324314.db2.gz NAJABCVADQRNMD-UMNHJUIQSA-N 2 0 225.336 0.243 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)[C@H]1[NH2+]CC1(C)C ZINC000877438097 590328109 /nfs/dbraw/zinc/32/81/09/590328109.db2.gz JLWJTBQDCRCQIS-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCCCCC[NH3+] ZINC000877438050 590328484 /nfs/dbraw/zinc/32/84/84/590328484.db2.gz HULRWALZYRETFN-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP CNC(=O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248611 590720983 /nfs/dbraw/zinc/72/09/83/590720983.db2.gz RASTYIRRNGPPLZ-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@H]1CN(C(=O)C[C@@H]2CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000127653178 590739028 /nfs/dbraw/zinc/73/90/28/590739028.db2.gz PWDRZSPQBSUFNH-DCAQKATOSA-N 2 0 225.336 0.195 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580011 590816889 /nfs/dbraw/zinc/81/68/89/590816889.db2.gz DCFGUYSDARTESU-UTUOFQBUSA-N 2 0 244.404 0.736 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000882486348 591360894 /nfs/dbraw/zinc/36/08/94/591360894.db2.gz QMJCZTULLRQKGA-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC000882485159 591362664 /nfs/dbraw/zinc/36/26/64/591362664.db2.gz FOVWCCZIZCDEQB-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CN(CC[NH2+][C@H]1CCSC1)CCOCCO ZINC000883348141 591623586 /nfs/dbraw/zinc/62/35/86/591623586.db2.gz IMQAUAYNDLKZHT-NSHDSACASA-N 2 0 248.392 0.022 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883417893 591651206 /nfs/dbraw/zinc/65/12/06/591651206.db2.gz QIEHWZLSDNSWKS-WYUUTHIRSA-N 2 0 229.343 0.746 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883416086 591652561 /nfs/dbraw/zinc/65/25/61/591652561.db2.gz LPYYVWIXGAZJMN-RHYQMDGZSA-N 2 0 229.343 0.888 20 0 BCADRP CC(C)C[C@@H](C(N)=O)[N@H+](C)CC1CC[NH2+]CC1 ZINC000883414688 591652618 /nfs/dbraw/zinc/65/26/18/591652618.db2.gz CYMYBALNPICMPT-LBPRGKRZSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+][C@@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883417166 591652731 /nfs/dbraw/zinc/65/27/31/591652731.db2.gz PRFSNMJQKFXIOJ-AXFHLTTASA-N 2 0 215.316 0.370 20 0 BCADRP C[C@H](C[NH3+])N(C)C[C@@H]1CCC2(CCOCC2)O1 ZINC000883418169 591654178 /nfs/dbraw/zinc/65/41/78/591654178.db2.gz ZOMQGJMBWDJWSU-NEPJUHHUSA-N 2 0 242.363 0.994 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883424982 591658659 /nfs/dbraw/zinc/65/86/59/591658659.db2.gz IYLNXDWVFCBQIQ-NAKRPEOUSA-N 2 0 215.316 0.356 20 0 BCADRP CN(C[C@@H]1C[C@H](F)C[NH2+]1)C[C@@H]1CCC[N@H+](C)C1 ZINC000883423810 591659121 /nfs/dbraw/zinc/65/91/21/591659121.db2.gz WBRCEQCKKSUPMC-AGIUHOORSA-N 2 0 243.370 0.960 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000883425531 591659534 /nfs/dbraw/zinc/65/95/34/591659534.db2.gz WRJGYOVHZRIZQS-SDDRHHMPSA-N 2 0 227.327 0.372 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2CN(C[C@@H]3C[C@H](F)C[NH2+]3)C[C@H]21 ZINC000883425554 591659537 /nfs/dbraw/zinc/65/95/37/591659537.db2.gz XFLXDTONZZOAPW-JZRPKSSGSA-N 2 0 241.354 0.746 20 0 BCADRP C[C@]1(C[NH3+])CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883427976 591660968 /nfs/dbraw/zinc/66/09/68/591660968.db2.gz ICMGQDBQZLDMBR-GARJFASQSA-N 2 0 215.316 0.357 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883430075 591661606 /nfs/dbraw/zinc/66/16/06/591661606.db2.gz MQNXUJJOCGMWQV-LDMBFOFVSA-N 2 0 229.343 0.663 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883430998 591662194 /nfs/dbraw/zinc/66/21/94/591662194.db2.gz JXXPLYBAZPQSDB-USZNOCQGSA-N 2 0 229.343 0.711 20 0 BCADRP C[C@@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C[NH3+] ZINC000883432374 591663071 /nfs/dbraw/zinc/66/30/71/591663071.db2.gz QFNRGSQFDNTFSE-RHYQMDGZSA-N 2 0 229.343 0.603 20 0 BCADRP C[NH2+]CCCN(C)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883433804 591664930 /nfs/dbraw/zinc/66/49/30/591664930.db2.gz ZLAIKICILNKKBX-UWVGGRQHSA-N 2 0 203.305 0.228 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C[C@@H]1C[C@H](F)C[NH2+]1)C2 ZINC000883436901 591665120 /nfs/dbraw/zinc/66/51/20/591665120.db2.gz DZIKBZHOEMFBSZ-RHYQMDGZSA-N 2 0 227.327 0.500 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(C[C@@H]1C[C@H](F)C[NH2+]1)C2 ZINC000883436898 591666184 /nfs/dbraw/zinc/66/61/84/591666184.db2.gz DZIKBZHOEMFBSZ-BJDJZHNGSA-N 2 0 227.327 0.500 20 0 BCADRP C[C@@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)[C@H](C[NH3+])C1 ZINC000883436428 591666344 /nfs/dbraw/zinc/66/63/44/591666344.db2.gz SNIRBXAHFXDLRW-RHYQMDGZSA-N 2 0 229.343 0.746 20 0 BCADRP CC1(C)[C@H]([NH2+]CCN2CCOC2=O)C[C@@H]1[NH3+] ZINC000883441146 591668550 /nfs/dbraw/zinc/66/85/50/591668550.db2.gz IHBCNQUQGPUWIO-DTWKUNHWSA-N 2 0 227.308 0.154 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883441221 591668802 /nfs/dbraw/zinc/66/88/02/591668802.db2.gz KCBUACNVPLZROE-XKNYDFJKSA-N 2 0 215.316 0.402 20 0 BCADRP C[C@H]1CN(CC[NH3+])CCN1c1cc[nH+]cc1 ZINC000883447486 591671508 /nfs/dbraw/zinc/67/15/08/591671508.db2.gz CWBQCJBRTRGRQO-NSHDSACASA-N 2 0 220.320 0.551 20 0 BCADRP CN(C[C@H]1C[NH2+]CCO1)C1(C[NH3+])CCCCC1 ZINC000883455179 591672994 /nfs/dbraw/zinc/67/29/94/591672994.db2.gz WDDZIQUEOBFHKP-GFCCVEGCSA-N 2 0 241.379 0.568 20 0 BCADRP CO[C@@H]1COCC[C@H]1[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000883461028 591673772 /nfs/dbraw/zinc/67/37/72/591673772.db2.gz MKYYDODJZWPLHJ-IJLUTSLNSA-N 2 0 228.336 0.332 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132889253 591745262 /nfs/dbraw/zinc/74/52/62/591745262.db2.gz ILURUOMDZPQLPV-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132888460 591745592 /nfs/dbraw/zinc/74/55/92/591745592.db2.gz LFCLZMVLVCROBQ-MXWKQRLJSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+]CCNC(=O)[C@H]([NH3+])Cc1cc2ccccc2o1 ZINC000884005654 591794569 /nfs/dbraw/zinc/79/45/69/591794569.db2.gz PHURZHZDWBFVOA-LLVKDONJSA-N 2 0 247.298 0.378 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C(C)(C)[C@H]([NH3+])C(C)C)C1 ZINC000884009532 591796725 /nfs/dbraw/zinc/79/67/25/591796725.db2.gz YSAYMDDEHYTFCP-WDEREUQCSA-N 2 0 241.379 0.816 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC1CC[NH2+]CC1 ZINC000884012262 591799248 /nfs/dbraw/zinc/79/92/48/591799248.db2.gz FMXYJEROVPNMTQ-LBPRGKRZSA-N 2 0 241.379 0.736 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[NH2+]C[C@H]1C ZINC000884017756 591800755 /nfs/dbraw/zinc/80/07/55/591800755.db2.gz FMPCNDZPRUODDD-MNOVXSKESA-N 2 0 227.352 0.441 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000884017377 591800764 /nfs/dbraw/zinc/80/07/64/591800764.db2.gz VGUCXBPTNNVICA-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H](NC(=O)[C@H]([NH3+])CC1CC1)[C@H]1CCC[NH2+]C1 ZINC000884019411 591800776 /nfs/dbraw/zinc/80/07/76/591800776.db2.gz SLEWWYWVIGUMLP-ZMLRMANQSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884021511 591802391 /nfs/dbraw/zinc/80/23/91/591802391.db2.gz CXLGTRQDXGRGPE-WDEREUQCSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884021509 591802793 /nfs/dbraw/zinc/80/27/93/591802793.db2.gz CXLGTRQDXGRGPE-MNOVXSKESA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000884026446 591809239 /nfs/dbraw/zinc/80/92/39/591809239.db2.gz DCZQUIJGHKZWNR-RYUDHWBXSA-N 2 0 241.379 0.736 20 0 BCADRP CCCN(C(=O)[C@@H]([NH3+])CC1CC1)[C@@H]1CC[NH2+]C1 ZINC000884026629 591809295 /nfs/dbraw/zinc/80/92/95/591809295.db2.gz IGWWIRCWJHDMKB-NEPJUHHUSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000884026744 591809870 /nfs/dbraw/zinc/80/98/70/591809870.db2.gz KVLHBHKUHJJJNI-WDEREUQCSA-N 2 0 225.336 0.230 20 0 BCADRP CN(C(=O)[C@H]1C[NH2+]CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000884028219 591812658 /nfs/dbraw/zinc/81/26/58/591812658.db2.gz ASWTYLWBNSJPQO-NXEZZACHSA-N 2 0 225.336 0.052 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000884028809 591812725 /nfs/dbraw/zinc/81/27/25/591812725.db2.gz SAWZECACCZJABE-WDEREUQCSA-N 2 0 241.379 0.816 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884028514 591813003 /nfs/dbraw/zinc/81/30/03/591813003.db2.gz JCPTVOZWCUAEDH-GFCCVEGCSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884028515 591813081 /nfs/dbraw/zinc/81/30/81/591813081.db2.gz JCPTVOZWCUAEDH-LBPRGKRZSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC2(C)C)C[C@@H](C)[NH2+]1 ZINC000884030404 591814065 /nfs/dbraw/zinc/81/40/65/591814065.db2.gz NMLUSHLRLORGBS-MXWKQRLJSA-N 2 0 239.363 0.441 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC2(C)C)CC[NH2+]1 ZINC000884031740 591814838 /nfs/dbraw/zinc/81/48/38/591814838.db2.gz YTWRSZJWAQPPAP-ZJUUUORDSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)[C@H]1C[NH2+]CC1(C)C)C1CC1 ZINC000884030975 591815003 /nfs/dbraw/zinc/81/50/03/591815003.db2.gz CGHQKTSWAKMNFI-MFKMUULPSA-N 2 0 239.363 0.476 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)[C@H]([NH3+])CC1CC1)C1CC1 ZINC000884031459 591815590 /nfs/dbraw/zinc/81/55/90/591815590.db2.gz PRVZAWZIIPIMTM-PWSUYJOCSA-N 2 0 225.336 0.357 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884032785 591815858 /nfs/dbraw/zinc/81/58/58/591815858.db2.gz BQFJPRONMRNQMP-QWRGUYRKSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC2CC2)[C@@H]1C[NH3+] ZINC000884034405 591816153 /nfs/dbraw/zinc/81/61/53/591816153.db2.gz DGUOMRYFKIJPLJ-YUSALJHKSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884032655 591816763 /nfs/dbraw/zinc/81/67/63/591816763.db2.gz ZGIFFICWMGPMJO-DTWKUNHWSA-N 2 0 213.325 0.038 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884035823 591817838 /nfs/dbraw/zinc/81/78/38/591817838.db2.gz IVHQHXBTIPEGAQ-MFKMUULPSA-N 2 0 241.379 0.722 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884035046 591817850 /nfs/dbraw/zinc/81/78/50/591817850.db2.gz QVFOEGMUJJANLS-ZJUUUORDSA-N 2 0 227.352 0.332 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N(C)CCC[NH3+] ZINC000884036147 591817950 /nfs/dbraw/zinc/81/79/50/591817950.db2.gz PJIQDXQIHCFYEQ-JTQLQIEISA-N 2 0 215.341 0.428 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884039007 591820746 /nfs/dbraw/zinc/82/07/46/591820746.db2.gz BCXHFPNLVJLEGN-WOPDTQHZSA-N 2 0 237.347 0.467 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884040295 591821801 /nfs/dbraw/zinc/82/18/01/591821801.db2.gz PPOYANUCKZDWAS-QWRGUYRKSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCC(C)([NH3+])CC1 ZINC000884266590 591888032 /nfs/dbraw/zinc/88/80/32/591888032.db2.gz ANXGSIZLOMGGMB-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)CC[NH2+]1 ZINC000884266728 591888086 /nfs/dbraw/zinc/88/80/86/591888086.db2.gz GGSGBJAYOGMEIA-NWDGAFQWSA-N 2 0 239.363 0.570 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000884265347 591888214 /nfs/dbraw/zinc/88/82/14/591888214.db2.gz GEBGLXJGJGTNOF-GHMZBOCLSA-N 2 0 239.363 0.490 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000884272633 591889428 /nfs/dbraw/zinc/88/94/28/591889428.db2.gz ZPVIZVCUBVYEOD-UTUOFQBUSA-N 2 0 241.379 0.829 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CC2CC2)CC[NH2+]1 ZINC000884274744 591889572 /nfs/dbraw/zinc/88/95/72/591889572.db2.gz UDVYMFMFYDOWGF-FBIMIBRVSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884271747 591889730 /nfs/dbraw/zinc/88/97/30/591889730.db2.gz JXOPJEQKLKFCGY-HBNTYKKESA-N 2 0 239.363 0.441 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)CC[NH2+]1 ZINC000884272812 591889742 /nfs/dbraw/zinc/88/97/42/591889742.db2.gz DGRDFWXMNKOLQS-MXWKQRLJSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884273259 591889974 /nfs/dbraw/zinc/88/99/74/591889974.db2.gz MLYKYZRMCBSIQQ-DCAQKATOSA-N 2 0 239.363 0.489 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884275886 591891188 /nfs/dbraw/zinc/89/11/88/591891188.db2.gz ZADLVSDVOGOCBE-ZJUUUORDSA-N 2 0 227.352 0.346 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884282424 591893825 /nfs/dbraw/zinc/89/38/25/591893825.db2.gz HNRXMGQCCOMLGW-DCAQKATOSA-N 2 0 243.326 0.272 20 0 BCADRP COCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000884287021 591895131 /nfs/dbraw/zinc/89/51/31/591895131.db2.gz QVXZRIPMQOXKGT-MNOVXSKESA-N 2 0 243.351 0.080 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000884296936 591896609 /nfs/dbraw/zinc/89/66/09/591896609.db2.gz HZESCVDWOGGRIY-JGVFFNPUSA-N 2 0 249.305 0.331 20 0 BCADRP Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH3+])cn1 ZINC000884297894 591897980 /nfs/dbraw/zinc/89/79/80/591897980.db2.gz ZBFFJGLLDKZPHG-ZJUUUORDSA-N 2 0 238.335 0.779 20 0 BCADRP Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH3+])cn1 ZINC000884297892 591898064 /nfs/dbraw/zinc/89/80/64/591898064.db2.gz ZBFFJGLLDKZPHG-UWVGGRQHSA-N 2 0 238.335 0.779 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000884339485 591906622 /nfs/dbraw/zinc/90/66/22/591906622.db2.gz OURKGSDKOZMOMG-GARJFASQSA-N 2 0 241.379 0.944 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)C[C@H]1C[NH3+] ZINC000884341333 591906800 /nfs/dbraw/zinc/90/68/00/591906800.db2.gz WSAFQPHEDXRSFV-JLLWLGSASA-N 2 0 239.363 0.557 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C1CC[NH2+]CC1 ZINC000884347879 591908901 /nfs/dbraw/zinc/90/89/01/591908901.db2.gz IUXPDNICQYKMTJ-NXEZZACHSA-N 2 0 225.336 0.228 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000884348083 591910096 /nfs/dbraw/zinc/91/00/96/591910096.db2.gz NSOGEQMIICIYBJ-GUBZILKMSA-N 2 0 225.336 0.371 20 0 BCADRP CC1(C)[C@H](NC(=O)[C@H]2CCCC[NH2+]2)C[C@@H]1[NH3+] ZINC000884348085 591910131 /nfs/dbraw/zinc/91/01/31/591910131.db2.gz NSOGEQMIICIYBJ-KXUCPTDWSA-N 2 0 225.336 0.371 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884358875 591912271 /nfs/dbraw/zinc/91/22/71/591912271.db2.gz ZRCLMWYZSXLLPB-VHSXEESVSA-N 2 0 241.379 0.994 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CCCCC[NH3+] ZINC000884358595 591912317 /nfs/dbraw/zinc/91/23/17/591912317.db2.gz TYMAYIIHZNBVMQ-NXEZZACHSA-N 2 0 227.352 0.748 20 0 BCADRP CC1(C)[C@H](NC(=O)c2coc(C[NH3+])c2)C[C@@H]1[NH3+] ZINC000884357965 591912654 /nfs/dbraw/zinc/91/26/54/591912654.db2.gz JHEJWWHDGLLAQL-VHSXEESVSA-N 2 0 237.303 0.594 20 0 BCADRP CC1(C)[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)C[C@@H]1[NH3+] ZINC000884358326 591912760 /nfs/dbraw/zinc/91/27/60/591912760.db2.gz OTTZHTLCUAATMF-LPEHRKFASA-N 2 0 225.336 0.228 20 0 BCADRP CC1(C)[C@H](NC(=O)[C@@]2(C)CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC000884357790 591912926 /nfs/dbraw/zinc/91/29/26/591912926.db2.gz FPQNOXIFIYVXDU-CWSCBRNRSA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000884358500 591913015 /nfs/dbraw/zinc/91/30/15/591913015.db2.gz RFBNSXUTCQFYSW-AEJSXWLSSA-N 2 0 225.336 0.356 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884357770 591913094 /nfs/dbraw/zinc/91/30/94/591913094.db2.gz FCKCSHFOVVJQLH-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884360310 591913897 /nfs/dbraw/zinc/91/38/97/591913897.db2.gz YFAZLZIPFJOPCK-HRDYMLBCSA-N 2 0 213.325 0.212 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000884361962 591916011 /nfs/dbraw/zinc/91/60/11/591916011.db2.gz CGOZRIMXVPMEAI-KXUCPTDWSA-N 2 0 239.363 0.617 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000884363704 591916863 /nfs/dbraw/zinc/91/68/63/591916863.db2.gz HENXZPOEWZIRPR-BBBLOLIVSA-N 2 0 223.320 0.276 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000884365914 591917121 /nfs/dbraw/zinc/91/71/21/591917121.db2.gz QKMHJFHHMNDZMW-VLEAKVRGSA-N 2 0 239.363 0.746 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000884366295 591917585 /nfs/dbraw/zinc/91/75/85/591917585.db2.gz XKAUOKFFPXJGJS-GMTAPVOTSA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000884375740 591920078 /nfs/dbraw/zinc/92/00/78/591920078.db2.gz KGFMMVNVCBUPLV-LLVKDONJSA-N 2 0 227.352 0.749 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)[C@@H]([NH3+])CC2CC2)cc1 ZINC000884375656 591920084 /nfs/dbraw/zinc/92/00/84/591920084.db2.gz HNOMODOUZZCQAV-ZDUSSCGKSA-N 2 0 247.342 0.889 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000884407786 591926826 /nfs/dbraw/zinc/92/68/26/591926826.db2.gz NKNHHWNBHOJEPO-QUNCOHTASA-N 2 0 237.347 0.182 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000884415020 591928340 /nfs/dbraw/zinc/92/83/40/591928340.db2.gz JJFNEXCUKWUCMJ-QUNCOHTASA-N 2 0 237.347 0.100 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000884426878 591930540 /nfs/dbraw/zinc/93/05/40/591930540.db2.gz XOYSOYSLRPKGOL-LOWVWBTDSA-N 2 0 237.347 0.454 20 0 BCADRP C[N@H+](CCC1CC[NH2+]CC1)CC(=O)NC1CC1 ZINC000134490578 591931949 /nfs/dbraw/zinc/93/19/49/591931949.db2.gz NTOGGCHCCJQFRO-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884431754 591932415 /nfs/dbraw/zinc/93/24/15/591932415.db2.gz FXPMXTDZCHXGEB-SECBINFHSA-N 2 0 213.325 0.039 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884444571 591936799 /nfs/dbraw/zinc/93/67/99/591936799.db2.gz OPDCSQFOYYUBNU-BDAKNGLRSA-N 2 0 213.325 0.038 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884458891 591940957 /nfs/dbraw/zinc/94/09/57/591940957.db2.gz PIKKBKHVRALDJI-VWYCJHECSA-N 2 0 227.352 0.569 20 0 BCADRP [NH3+]CC1(NC(=O)[C@@H]([NH3+])CC2CC2)CCCCC1 ZINC000884464483 591942123 /nfs/dbraw/zinc/94/21/23/591942123.db2.gz QTKABNYDNQCXSE-NSHDSACASA-N 2 0 239.363 0.892 20 0 BCADRP Cc1cc(NCC[N@H+](C)CCO)cc[nH+]1 ZINC000884825312 592023559 /nfs/dbraw/zinc/02/35/59/592023559.db2.gz PSBJZBMYNWGALS-UHFFFAOYSA-N 2 0 209.293 0.148 20 0 BCADRP CCc1nccc(NCC[N@H+](C)CCO)n1 ZINC000884825967 592024011 /nfs/dbraw/zinc/02/40/11/592024011.db2.gz ANCSKXPDBHDGAY-UHFFFAOYSA-N 2 0 224.308 0.375 20 0 BCADRP C[NH+](C)C1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000137257140 592164256 /nfs/dbraw/zinc/16/42/56/592164256.db2.gz GARYSALZHJPILH-GFCCVEGCSA-N 2 0 239.363 0.666 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C[C@H]([NH3+])C1CC1 ZINC000137385097 592175764 /nfs/dbraw/zinc/17/57/64/592175764.db2.gz OTXNONUERWIUFJ-JQWIXIFHSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCCCCCC[NH3+] ZINC000137801495 592222487 /nfs/dbraw/zinc/22/24/87/592222487.db2.gz VLIQUERDMKELIH-JTQLQIEISA-N 2 0 215.341 0.605 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886826979 592348452 /nfs/dbraw/zinc/34/84/52/592348452.db2.gz BBOOSSBZJZEEJZ-QJPTWQEYSA-N 2 0 210.321 0.694 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886826980 592348655 /nfs/dbraw/zinc/34/86/55/592348655.db2.gz BBOOSSBZJZEEJZ-SDDRHHMPSA-N 2 0 210.321 0.694 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H]1C[C@]12CCOC2 ZINC000886840330 592360311 /nfs/dbraw/zinc/36/03/11/592360311.db2.gz ZEXRCWRUUPSTOG-USZNOCQGSA-N 2 0 210.321 0.835 20 0 BCADRP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2C[C@@]23CCOC3)CCCO1 ZINC000886839916 592361700 /nfs/dbraw/zinc/36/17/00/592361700.db2.gz OPCWVGPRIMSHBO-YNEHKIRRSA-N 2 0 240.347 0.463 20 0 BCADRP CCN(C[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000886846850 592365564 /nfs/dbraw/zinc/36/55/64/592365564.db2.gz PVWIUBDZNHQWOZ-GARJFASQSA-N 2 0 215.316 0.370 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886860115 592372107 /nfs/dbraw/zinc/37/21/07/592372107.db2.gz RTTLMQNGHHJOBX-RYUDHWBXSA-N 2 0 228.336 0.463 20 0 BCADRP CC[C@H](C)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC000887057480 592434120 /nfs/dbraw/zinc/43/41/20/592434120.db2.gz HTLDXMWJUIUGCF-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H](C)[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C(N)=O ZINC000887057481 592434138 /nfs/dbraw/zinc/43/41/38/592434138.db2.gz HTLDXMWJUIUGCF-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]CCCCCCNC(=O)CCCC[NH3+] ZINC000221701122 592438783 /nfs/dbraw/zinc/43/87/83/592438783.db2.gz LGPQRHNJQQWAOK-UHFFFAOYSA-N 2 0 215.341 0.751 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NCC(F)F)C1 ZINC000887349862 592485342 /nfs/dbraw/zinc/48/53/42/592485342.db2.gz MCIMPHJRKMNUAN-SSDOTTSWSA-N 2 0 220.267 0.317 20 0 BCADRP C[C@H](CNC(=[NH2+])NCC(F)F)[NH+]1CCCC1 ZINC000887348788 592484864 /nfs/dbraw/zinc/48/48/64/592484864.db2.gz XMHFLGDKVPKFLN-MRVPVSSYSA-N 2 0 234.294 0.850 20 0 BCADRP C[NH+]1CCC(CNC(=[NH2+])NCC(F)F)CC1 ZINC000887353050 592485332 /nfs/dbraw/zinc/48/53/32/592485332.db2.gz ZRSCBTFONGBFDC-UHFFFAOYSA-N 2 0 234.294 0.707 20 0 BCADRP C[NH+](C)CCCCNC(=[NH2+])NCC1CC1 ZINC000887349610 592485639 /nfs/dbraw/zinc/48/56/39/592485639.db2.gz BUULSTTUUWHKEV-UHFFFAOYSA-N 2 0 212.341 0.852 20 0 BCADRP [NH2+]=C(NCCN1CCCOCC1)NCC1CC1 ZINC000887358178 592489416 /nfs/dbraw/zinc/48/94/16/592489416.db2.gz UYRSZIQZRXIKPD-UHFFFAOYSA-N 2 0 240.351 0.233 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000302695370 592552769 /nfs/dbraw/zinc/55/27/69/592552769.db2.gz UKKQJSQPUSYBQH-PWSUYJOCSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](C(=O)NCC[N@@H+]1CCC(C)(C)C1)[NH+](C)C ZINC000890068392 592676878 /nfs/dbraw/zinc/67/68/78/592676878.db2.gz QCJPOZLLGJJBDL-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CNCCO1 ZINC000925702982 634379547 /nfs/dbraw/zinc/37/95/47/634379547.db2.gz CBIBLYBGMHQXNV-SZQBSXBZSA-N 2 0 239.363 0.080 20 0 BCADRP CCC[N@@H+]1CC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925703668 634382671 /nfs/dbraw/zinc/38/26/71/634382671.db2.gz AXBWEWGMQUMBEJ-NEPJUHHUSA-N 2 0 227.352 0.049 20 0 BCADRP C1CC2(C1)C[C@@H](N[C@H]1C[NH2+]CCOC1)CC[NH2+]2 ZINC000925708016 634397710 /nfs/dbraw/zinc/39/77/10/634397710.db2.gz QRVVMILHVQKHHU-RYUDHWBXSA-N 2 0 239.363 0.239 20 0 BCADRP CO[C@@H](C)C[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925713257 634417332 /nfs/dbraw/zinc/41/73/32/634417332.db2.gz SYSFKJDHMZHBSL-PREPNJAASA-N 2 0 228.336 0.363 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@@H]1COCC1(C)C ZINC000313020440 634438383 /nfs/dbraw/zinc/43/83/83/634438383.db2.gz BBGRQQUSEVCWHT-LLVKDONJSA-N 2 0 230.352 0.579 20 0 BCADRP CC[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001027070471 634435962 /nfs/dbraw/zinc/43/59/62/634435962.db2.gz RRRGQPNZPMBAHV-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H]1CC[C@@H](N[C@@H]2CC[NH2+]C2(C)C)C[NH2+]1 ZINC000925716340 634444767 /nfs/dbraw/zinc/44/47/67/634444767.db2.gz DDHSDGBJWFWODM-GMTAPVOTSA-N 2 0 211.353 0.857 20 0 BCADRP [NH3+][C@@H]1C[C@H](NCC23CC(C2)C[NH2+]3)C12CCC2 ZINC000925717632 634455332 /nfs/dbraw/zinc/45/53/32/634455332.db2.gz VLFVXQBOODKLEH-UPOSSJBDSA-N 2 0 221.348 0.598 20 0 BCADRP C[N@@H+]1CCC[C@H]1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925719417 634456832 /nfs/dbraw/zinc/45/68/32/634456832.db2.gz ROQLVSUIIVTNCU-SNIKSBKOSA-N 2 0 235.375 0.667 20 0 BCADRP C([C@@H]1CCOC1)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000257711169 634477868 /nfs/dbraw/zinc/47/78/68/634477868.db2.gz SXQKSAUOXSKPMD-NWDGAFQWSA-N 2 0 210.321 0.851 20 0 BCADRP O=C([C@H]1CCCC[NH2+]1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335622276 634498622 /nfs/dbraw/zinc/49/86/22/634498622.db2.gz BSSFQTDFBAUICH-YPMHNXCESA-N 2 0 237.347 0.483 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335637607 634502808 /nfs/dbraw/zinc/50/28/08/634502808.db2.gz FSPBPZPVXFIPCP-DGCLKSJQSA-N 2 0 237.347 0.483 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335642040 634502964 /nfs/dbraw/zinc/50/29/64/634502964.db2.gz XZJQBSGBCPBACG-ONGXEEELSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335638288 634504307 /nfs/dbraw/zinc/50/43/07/634504307.db2.gz HMXKXRTULRHWGQ-GXFFZTMASA-N 2 0 237.347 0.481 20 0 BCADRP [NH3+][C@@H](C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)C1CCC1 ZINC000335638357 634504991 /nfs/dbraw/zinc/50/49/91/634504991.db2.gz KGHJXGZJWAVPED-YPMHNXCESA-N 2 0 237.347 0.468 20 0 BCADRP C[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)[NH+](C)C ZINC000652198181 634530751 /nfs/dbraw/zinc/53/07/51/634530751.db2.gz YXLUJLPOZYNPIY-JTQLQIEISA-N 2 0 242.367 0.365 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652231895 634533445 /nfs/dbraw/zinc/53/34/45/634533445.db2.gz JRPYHPBZRSQPPS-JTQLQIEISA-N 2 0 240.351 0.119 20 0 BCADRP C[N@@H+]1CC[C@@H](c2nc(C3CC[NH2+]CC3)no2)C1 ZINC000258031206 634548647 /nfs/dbraw/zinc/54/86/47/634548647.db2.gz NVVWALHHVDJKHT-SNVBAGLBSA-N 2 0 236.319 0.956 20 0 BCADRP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC[NH2+]CC1 ZINC000925730584 634559649 /nfs/dbraw/zinc/55/96/49/634559649.db2.gz XEKSWFFTIJHCKF-BMJAIKTRSA-N 3 0 249.402 0.961 20 0 BCADRP [NH3+]CCCc1nc(CC2CC[NH2+]CC2)no1 ZINC000258164216 634581844 /nfs/dbraw/zinc/58/18/44/634581844.db2.gz WYVVVXBBPGRQKT-UHFFFAOYSA-N 2 0 224.308 0.503 20 0 BCADRP C[NH2+]CCCc1nc(CC2CC[NH2+]CC2)no1 ZINC000258211704 634598276 /nfs/dbraw/zinc/59/82/76/634598276.db2.gz ZWGRGRCSYGMLNG-UHFFFAOYSA-N 2 0 238.335 0.764 20 0 BCADRP C[NH+](C)CC1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000040924168 635425098 /nfs/dbraw/zinc/42/50/98/635425098.db2.gz UJFGZAOHSNTMPR-UHFFFAOYSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925832876 635475913 /nfs/dbraw/zinc/47/59/13/635475913.db2.gz QNOCYFJRLFIZKP-SVNGYHJRSA-N 2 0 228.336 0.506 20 0 BCADRP CCO[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)C[NH+](C)C ZINC000925838767 635502299 /nfs/dbraw/zinc/50/22/99/635502299.db2.gz NVASNCJEOFBEJE-YNEHKIRRSA-N 2 0 243.395 0.541 20 0 BCADRP C[C@H]([NH2+]CCO[C@H]1CCOC1)[C@H]1CCC[NH2+]C1 ZINC000925874401 635596578 /nfs/dbraw/zinc/59/65/78/635596578.db2.gz JIZFZAQIGIYQPT-AVGNSLFASA-N 2 0 242.363 0.770 20 0 BCADRP Cn1nccc1[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000925888917 635614962 /nfs/dbraw/zinc/61/49/62/635614962.db2.gz HCHGEHSXYVAZRL-CKYFFXLPSA-N 2 0 238.335 0.313 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000083367381 631423275 /nfs/dbraw/zinc/42/32/75/631423275.db2.gz ZIHBCIXEAHSLAX-VXGBXAGGSA-N 2 0 239.363 0.714 20 0 BCADRP C[N@H+](CCCS(C)(=O)=O)C1CCC([NH3+])CC1 ZINC000085869718 631464381 /nfs/dbraw/zinc/46/43/81/631464381.db2.gz ZDKCOMMDMOXPKV-UHFFFAOYSA-N 2 0 248.392 0.623 20 0 BCADRP C[NH2+]CCCN(C)C(=O)CCCCCC[NH3+] ZINC000087471733 631481260 /nfs/dbraw/zinc/48/12/60/631481260.db2.gz JZYLQRDUIKXASF-UHFFFAOYSA-N 2 0 229.368 0.964 20 0 BCADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCOC3)C[C@]2(C)C1 ZINC000933732686 631495229 /nfs/dbraw/zinc/49/52/29/631495229.db2.gz AUYUZCAKJMRLLM-UPJWGTAASA-N 2 0 224.348 0.906 20 0 BCADRP CN(C(=O)C[N@H+](C)C1CCC([NH3+])CC1)C1CC1 ZINC000091846406 631543994 /nfs/dbraw/zinc/54/39/94/631543994.db2.gz DUPLIRXBLDMRGX-UHFFFAOYSA-N 2 0 239.363 0.809 20 0 BCADRP CCN(C(=O)NC[C@H](C)[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000891939202 631565866 /nfs/dbraw/zinc/56/58/66/631565866.db2.gz GRKRAZQMSJOJJC-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP Nc1cc[nH+]c(CNC(=O)NC2CC[NH2+]CC2)c1 ZINC000891961842 631638851 /nfs/dbraw/zinc/63/88/51/631638851.db2.gz JPQDJKNTLQVSDE-UHFFFAOYSA-N 2 0 249.318 0.215 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000891963727 631643222 /nfs/dbraw/zinc/64/32/22/631643222.db2.gz LXIGKANVPWAXBI-NXEZZACHSA-N 2 0 228.340 0.165 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000892171374 631752977 /nfs/dbraw/zinc/75/29/77/631752977.db2.gz XWCSLRWXLQNAQO-NAKRPEOUSA-N 2 0 240.351 0.150 20 0 BCADRP CCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])[C@H]1CC[NH2+]C1 ZINC000892198899 631779060 /nfs/dbraw/zinc/77/90/60/631779060.db2.gz QMSKXHXRPFYQRI-MXWKQRLJSA-N 2 0 242.367 0.506 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000892244200 631810450 /nfs/dbraw/zinc/81/04/50/631810450.db2.gz IBHKSCHRLZPSJK-LLVKDONJSA-N 2 0 240.351 0.071 20 0 BCADRP CC[NH2+]CC(=O)NC1CC[NH+](CC)CC1 ZINC000044294401 631815423 /nfs/dbraw/zinc/81/54/23/631815423.db2.gz VJORCIXOQAUAKU-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000158288527 631847999 /nfs/dbraw/zinc/84/79/99/631847999.db2.gz VIFCLEIZCHUCIU-JQWIXIFHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1CC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309092665 631881699 /nfs/dbraw/zinc/88/16/99/631881699.db2.gz BSWIKIYXOOGHBO-MNOVXSKESA-N 2 0 212.337 0.831 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H](CC(C)C)[NH2+]C ZINC000224194223 631891857 /nfs/dbraw/zinc/89/18/57/631891857.db2.gz AUOIZODCUAYYRZ-JTQLQIEISA-N 2 0 215.341 0.298 20 0 BCADRP C[NH2+]C1(C(=O)NC2CCC([NH3+])CC2)CCC1 ZINC000309257846 631982730 /nfs/dbraw/zinc/98/27/30/631982730.db2.gz OOTQOTLBKGGOBR-UHFFFAOYSA-N 2 0 225.336 0.515 20 0 BCADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)NC1CC1 ZINC000051919351 632012413 /nfs/dbraw/zinc/01/24/13/632012413.db2.gz FWEJMTNQFMLRTG-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000309371285 632025910 /nfs/dbraw/zinc/02/59/10/632025910.db2.gz CBBLSNWWNVXLKF-GRYCIOLGSA-N 3 0 211.353 0.785 20 0 BCADRP CC[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000308871925 632036743 /nfs/dbraw/zinc/03/67/43/632036743.db2.gz SOVNNGKIXRGCRD-MNOVXSKESA-N 2 0 218.341 0.048 20 0 BCADRP CC[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000308871927 632036879 /nfs/dbraw/zinc/03/68/79/632036879.db2.gz SOVNNGKIXRGCRD-WDEREUQCSA-N 2 0 218.341 0.048 20 0 BCADRP CC[NH2+]CC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000052062659 632063047 /nfs/dbraw/zinc/06/30/47/632063047.db2.gz FOKXKJCJXBFXBN-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161551007 632078911 /nfs/dbraw/zinc/07/89/11/632078911.db2.gz VIHHOLXCKVUANU-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)CNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251523460 635704957 /nfs/dbraw/zinc/70/49/57/635704957.db2.gz AANNFPAGAOUKDM-NEPJUHHUSA-N 2 0 241.379 0.675 20 0 BCADRP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251941069 635707516 /nfs/dbraw/zinc/70/75/16/635707516.db2.gz SMCCBDBBJSPTQV-WOPDTQHZSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000252841358 635713117 /nfs/dbraw/zinc/71/31/17/635713117.db2.gz CBLXUIGXNNAODH-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](C[NH2+][C@H]1COC[C@H]1C)N1CC[NH+](C)CC1 ZINC000924965930 635813428 /nfs/dbraw/zinc/81/34/28/635813428.db2.gz QJJVZSNDJNONGH-UPJWGTAASA-N 2 0 241.379 0.247 20 0 BCADRP NC(=O)[C@@H]1CCCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC000309487249 632418513 /nfs/dbraw/zinc/41/85/13/632418513.db2.gz XHVSZPVDMMDNKO-AXFHLTTASA-N 2 0 225.336 0.454 20 0 BCADRP CCS(=O)(=O)CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069626429 632589167 /nfs/dbraw/zinc/58/91/67/632589167.db2.gz PBPVJIVKPVEOHS-NSHDSACASA-N 2 0 248.392 0.482 20 0 BCADRP CN(C(=O)[C@@H]([NH3+])CC1CC1)C1CC[NH+](C)CC1 ZINC000310098017 632701065 /nfs/dbraw/zinc/70/10/65/632701065.db2.gz JDNWTGLYQZLPMN-LBPRGKRZSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000310276667 632713611 /nfs/dbraw/zinc/71/36/11/632713611.db2.gz OPLVBPYJYDAUGS-QWHCGFSZSA-N 2 0 241.379 0.114 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000310287374 632714305 /nfs/dbraw/zinc/71/43/05/632714305.db2.gz YCXUBYRMPXAIMJ-RYUDHWBXSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000310325055 632722956 /nfs/dbraw/zinc/72/29/56/632722956.db2.gz AHWICIZRPXENHG-STQMWFEESA-N 2 0 241.379 0.114 20 0 BCADRP CN(C[C@@H](O)C[NH+]1CCCC1)CC(C)(C)C[NH3+] ZINC000310333718 632725173 /nfs/dbraw/zinc/72/51/73/632725173.db2.gz CDVCLJJBZVTWGH-GFCCVEGCSA-N 2 0 243.395 0.360 20 0 BCADRP OCCC[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000924536920 632771095 /nfs/dbraw/zinc/77/10/95/632771095.db2.gz VGXBASWNRSLZIG-RYUDHWBXSA-N 2 0 212.337 0.975 20 0 BCADRP OCCC[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000924536918 632771289 /nfs/dbraw/zinc/77/12/89/632771289.db2.gz VGXBASWNRSLZIG-NEPJUHHUSA-N 2 0 212.337 0.975 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000052042201 632781211 /nfs/dbraw/zinc/78/12/11/632781211.db2.gz OVVPIPCPMPVDPX-VIFPVBQESA-N 2 0 212.341 0.851 20 0 BCADRP CCNC(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000052043197 632782206 /nfs/dbraw/zinc/78/22/06/632782206.db2.gz VONCLMRIWJENDF-UHFFFAOYSA-N 2 0 212.341 0.996 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOC ZINC000066244979 632860057 /nfs/dbraw/zinc/86/00/57/632860057.db2.gz HZSFGNOHIBUONF-JTQLQIEISA-N 2 0 228.340 0.021 20 0 BCADRP C=CCNC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C ZINC000066245672 632860974 /nfs/dbraw/zinc/86/09/74/632860974.db2.gz IGSQFVYTWJTIIO-SNVBAGLBSA-N 2 0 210.325 0.417 20 0 BCADRP CC(C)[N@H+](C)CCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000066246561 632861079 /nfs/dbraw/zinc/86/10/79/632861079.db2.gz UGNPNSMINIPLQR-NSHDSACASA-N 2 0 242.367 0.410 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CCO[C@@H](CO)C2)CC1 ZINC000309363466 632972779 /nfs/dbraw/zinc/97/27/79/632972779.db2.gz MVLPRKXOOPKUOY-GFCCVEGCSA-N 2 0 228.336 0.021 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335269856 635872264 /nfs/dbraw/zinc/87/22/64/635872264.db2.gz KQTMXPQLEASBCC-CHWSQXEVSA-N 2 0 223.364 0.814 20 0 BCADRP C[C@@H](CCNc1cc[nH+]cc1CO)[NH+](C)C ZINC000894520525 635903308 /nfs/dbraw/zinc/90/33/08/635903308.db2.gz BEHMFNBWCIBSIE-JTQLQIEISA-N 2 0 223.320 0.748 20 0 BCADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)[C@H]1CCOC1 ZINC000166332197 633112183 /nfs/dbraw/zinc/11/21/83/633112183.db2.gz HRKBXDJNJBYHKQ-NEPJUHHUSA-N 2 0 241.379 0.424 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)C[NH3+])C1 ZINC000062967646 633161808 /nfs/dbraw/zinc/16/18/08/633161808.db2.gz XGEUGHHDZRMPMM-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000236617049 633163589 /nfs/dbraw/zinc/16/35/89/633163589.db2.gz YUPCJGFXEHJUKI-NSHDSACASA-N 2 0 213.325 0.230 20 0 BCADRP CN(C(=O)[C@H]1CC[NH2+]1)C1CCC([NH3+])CC1 ZINC000309513811 633185747 /nfs/dbraw/zinc/18/57/47/633185747.db2.gz YAABMSQOWCYDAZ-UDNWOFFPSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)CC[C@@H]1C[NH3+] ZINC000122303327 633206369 /nfs/dbraw/zinc/20/63/69/633206369.db2.gz KQKFVCSHRANLGP-ZYHUDNBSSA-N 2 0 239.363 0.429 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000310135447 636005602 /nfs/dbraw/zinc/00/56/02/636005602.db2.gz BJXDTNWMZGYWDA-VXGBXAGGSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000665282722 636103031 /nfs/dbraw/zinc/10/30/31/636103031.db2.gz AKWFMPXIGUEEQP-WUHRBBMRSA-N 2 0 243.395 0.702 20 0 BCADRP C[N@@H+]1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC000928558210 636100217 /nfs/dbraw/zinc/10/02/17/636100217.db2.gz IVLMSSPSZYPIIZ-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP OCCCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328444576 633765134 /nfs/dbraw/zinc/76/51/34/633765134.db2.gz NPIUFDDXUJRREA-NWBUJAPZSA-N 2 0 224.348 0.735 20 0 BCADRP C[C@H](CCO)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328443333 633767311 /nfs/dbraw/zinc/76/73/11/633767311.db2.gz NDQWQKKUKCCYMR-HDLKOFKZSA-N 2 0 224.348 0.591 20 0 BCADRP C[NH+](C)CCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328468593 633768177 /nfs/dbraw/zinc/76/81/77/633768177.db2.gz YMBMEPOQIZCRPQ-YHQUGGNUSA-N 3 0 237.391 0.914 20 0 BCADRP COC[C@H](C)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328462787 633769153 /nfs/dbraw/zinc/76/91/53/633769153.db2.gz VNSHSFWGHRZBPA-KQAFNVIJSA-N 2 0 224.348 0.855 20 0 BCADRP CCOCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328551201 633773612 /nfs/dbraw/zinc/77/36/12/633773612.db2.gz TYKBYMNOVVAGGY-OBPIAQAESA-N 2 0 224.348 0.999 20 0 BCADRP C1CC1[N@@H+]1CC[C@@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000328509067 633774218 /nfs/dbraw/zinc/77/42/18/633774218.db2.gz ZTOGLUPRUVEGTC-FYNNSYDNSA-N 2 0 247.386 0.809 20 0 BCADRP COCC[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328560816 633775767 /nfs/dbraw/zinc/77/57/67/633775767.db2.gz FYKYHTFLUNIHEG-RJRAAQABSA-N 2 0 224.348 0.997 20 0 BCADRP CC(C)[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001019774863 633791417 /nfs/dbraw/zinc/79/14/17/633791417.db2.gz LKOCTKIJZLGOEY-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001020028735 633805855 /nfs/dbraw/zinc/80/58/55/633805855.db2.gz IJLKCTACXNVWKE-DCAQKATOSA-N 2 0 225.336 0.337 20 0 BCADRP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001020028736 633806400 /nfs/dbraw/zinc/80/64/00/633806400.db2.gz IJLKCTACXNVWKE-GMTAPVOTSA-N 2 0 225.336 0.337 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925508350 633843634 /nfs/dbraw/zinc/84/36/34/633843634.db2.gz FVFNOLUCFZUQFM-NEPJUHHUSA-N 2 0 227.352 0.049 20 0 BCADRP C(CN[C@H]1C[NH2+]CCOC1)C[NH+]1CCCCC1 ZINC000925516629 633870938 /nfs/dbraw/zinc/87/09/38/633870938.db2.gz DXMGDAWHCKXQBE-ZDUSSCGKSA-N 2 0 241.379 0.440 20 0 BCADRP C(C[NH+]1CCCCCC1)N[C@H]1C[NH2+]CCOC1 ZINC000925525564 633904500 /nfs/dbraw/zinc/90/45/00/633904500.db2.gz IBMIODYBFLCTRW-ZDUSSCGKSA-N 2 0 241.379 0.440 20 0 BCADRP CC[NH2+]CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000309540654 633947790 /nfs/dbraw/zinc/94/77/90/633947790.db2.gz YDXALGWAKMPEAT-UHFFFAOYSA-N 2 0 213.325 0.102 20 0 BCADRP C[NH+](C)C[C@H](O)CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925607173 634136132 /nfs/dbraw/zinc/13/61/32/634136132.db2.gz AGJFSFKJSVRZBM-SDDRHHMPSA-N 2 0 243.395 0.405 20 0 BCADRP C[C@@H](CO)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925615149 634158467 /nfs/dbraw/zinc/15/84/67/634158467.db2.gz MFGHHKYLUJQGQR-ZRUFSTJUSA-N 2 0 212.337 0.733 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCOC1 ZINC000925620854 634179896 /nfs/dbraw/zinc/17/98/96/634179896.db2.gz CRVDOHSCBOXFGP-TZMBILIQSA-N 2 0 210.321 0.881 20 0 BCADRP C[N@H+](CCCC[NH2+][C@H]1CNCCOC1)C1CC1 ZINC000925684024 634291829 /nfs/dbraw/zinc/29/18/29/634291829.db2.gz DANNYVANBPYFGB-LBPRGKRZSA-N 2 0 241.379 0.439 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCCNC2=O)C12CCC2 ZINC000925685773 634296401 /nfs/dbraw/zinc/29/64/01/634296401.db2.gz NCZWRFLJQMYANO-GMTAPVOTSA-N 2 0 237.347 0.372 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CNC(=O)C2)C1 ZINC000925685565 634299515 /nfs/dbraw/zinc/29/95/15/634299515.db2.gz LDFYDGNFOPEUNH-GMTAPVOTSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@]1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CCC(=O)N1 ZINC000925685451 634300108 /nfs/dbraw/zinc/30/01/08/634300108.db2.gz NKCVFBUGDZPUEO-CKYFFXLPSA-N 2 0 237.347 0.515 20 0 BCADRP C[NH+](C)CC1CC[NH+](Cn2cnnc2)CC1 ZINC000776758725 634322336 /nfs/dbraw/zinc/32/23/36/634322336.db2.gz ACAAVTWBOZTNCH-UHFFFAOYSA-N 2 0 223.324 0.509 20 0 BCADRP CC(C)[C@@H]([NH3+])CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925693606 634329175 /nfs/dbraw/zinc/32/91/75/634329175.db2.gz PUFMXTJVEUTNLR-WDEREUQCSA-N 2 0 211.353 0.844 20 0 BCADRP c1[nH+]cn2cc(CN[C@H]3C[NH2+]CCOC3)ccc12 ZINC000925693810 634332329 /nfs/dbraw/zinc/33/23/29/634332329.db2.gz MRCJMOZIZUDOML-LBPRGKRZSA-N 2 0 246.314 0.412 20 0 BCADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)C12CCC2 ZINC000925694334 634337876 /nfs/dbraw/zinc/33/78/76/634337876.db2.gz SZGFGKKZTBIOKH-NEPJUHHUSA-N 3 0 223.364 0.846 20 0 BCADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925695199 634339115 /nfs/dbraw/zinc/33/91/15/634339115.db2.gz UHERTANBWWVNED-QQOHENMQSA-N 3 0 235.375 0.572 20 0 BCADRP C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@H]1CCCC[NH2+]1 ZINC000925694832 634339575 /nfs/dbraw/zinc/33/95/75/634339575.db2.gz UGQHABFQIYKKHY-BSCCGWMCSA-N 2 0 235.375 0.715 20 0 BCADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[NH2+]1 ZINC000925694775 634340093 /nfs/dbraw/zinc/34/00/93/634340093.db2.gz SWXBGEUJIUEITG-QWRGUYRKSA-N 2 0 209.337 0.613 20 0 BCADRP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CCCC[NH+](C)C ZINC000310091426 634350758 /nfs/dbraw/zinc/35/07/58/634350758.db2.gz JPMQZOSSOIGTRL-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H](C[NH3+])CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925696974 634356785 /nfs/dbraw/zinc/35/67/85/634356785.db2.gz CJQRZBXWKBEWPM-WHOHXGKFSA-N 2 0 225.380 0.947 20 0 BCADRP [NH3+][C@H]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)C12CCC2 ZINC000925696782 634357283 /nfs/dbraw/zinc/35/72/83/634357283.db2.gz AUOATNHNANCBQN-RYUDHWBXSA-N 3 0 221.348 0.766 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925696985 634357905 /nfs/dbraw/zinc/35/79/05/634357905.db2.gz CRKUFFKMWDHSAJ-KXNHARMFSA-N 2 0 223.364 0.844 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NCC1=CC[NH2+]CC1 ZINC000925696847 634358091 /nfs/dbraw/zinc/35/80/91/634358091.db2.gz BOFOGMPLUQXLGU-LLVKDONJSA-N 2 0 209.337 0.636 20 0 BCADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2=CC[NH2+]CC2)C12CCC2 ZINC000925696779 634358668 /nfs/dbraw/zinc/35/86/68/634358668.db2.gz AUOATNHNANCBQN-NWDGAFQWSA-N 3 0 221.348 0.766 20 0 BCADRP C[C@@H]([NH3+])c1ccc(CN[C@H]2C[NH2+]CCOC2)cc1 ZINC000925697336 634360391 /nfs/dbraw/zinc/36/03/91/634360391.db2.gz DRQKCPNDPYJNLA-RISCZKNCSA-N 2 0 249.358 0.784 20 0 BCADRP C1=C(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC[NH2+]C1 ZINC000925698615 634364115 /nfs/dbraw/zinc/36/41/15/634364115.db2.gz LAAITPCJZCSTTL-MEBFFEOJSA-N 2 0 233.359 0.492 20 0 BCADRP C[C@]1(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCC[NH2+]C1 ZINC000925699339 634366046 /nfs/dbraw/zinc/36/60/46/634366046.db2.gz OEADKGSOBZTILF-SOAFEQHCSA-N 2 0 249.402 0.962 20 0 BCADRP [NH3+]C[C@H](N[C@@H]1C[C@H]([NH3+])C12CCC2)C1CC1 ZINC000925700005 634367848 /nfs/dbraw/zinc/36/78/48/634367848.db2.gz QWGOWYKFFALCLY-GARJFASQSA-N 2 0 209.337 0.583 20 0 BCADRP [NH3+]C[C@H](N[C@H]1C[C@@H]([NH3+])C12CCC2)C1CC1 ZINC000925700001 634368225 /nfs/dbraw/zinc/36/82/25/634368225.db2.gz QWGOWYKFFALCLY-AXFHLTTASA-N 2 0 209.337 0.583 20 0 BCADRP Cc1cc(N)nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[nH+]1 ZINC000893549353 635141518 /nfs/dbraw/zinc/14/15/18/635141518.db2.gz RELOXYGAIVALFH-AOOOYVTPSA-N 2 0 233.319 0.365 20 0 BCADRP CNC(=O)C1CC[NH+](CCCCCC[NH3+])CC1 ZINC000310135162 635187468 /nfs/dbraw/zinc/18/74/68/635187468.db2.gz LUNCCKBTEYEPMX-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NCc1cc(N)cc[nH+]1 ZINC000925769073 635190999 /nfs/dbraw/zinc/19/09/99/635190999.db2.gz XYNGCCAIJHRJEJ-NSHDSACASA-N 2 0 220.320 0.894 20 0 BCADRP C[C@@H](NCc1cc(N)cc[nH+]1)C1C[NH2+]C1 ZINC000925769157 635192522 /nfs/dbraw/zinc/19/25/22/635192522.db2.gz YRSDMRYEQDBGKM-MRVPVSSYSA-N 2 0 206.293 0.361 20 0 BCADRP CC1(C)CO[C@@H](CC[NH2+][C@@H]2CNCCOC2)C1 ZINC000925775453 635249856 /nfs/dbraw/zinc/24/98/56/635249856.db2.gz QLLZZXINEZXTBO-NEPJUHHUSA-N 2 0 242.363 0.770 20 0 BCADRP COC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)[C@@H]1CCCOC1 ZINC000925777832 635260619 /nfs/dbraw/zinc/26/06/19/635260619.db2.gz HJPLSCDAVSIIIZ-WZRBSPASSA-N 2 0 242.363 0.626 20 0 BCADRP C[C@H](C[C@@H]1COCCN1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000925779035 635268277 /nfs/dbraw/zinc/26/82/77/635268277.db2.gz LHTIXFHRMLTICK-FVCCEPFGSA-N 3 0 241.379 0.613 20 0 BCADRP CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCOC1 ZINC000925782349 635278345 /nfs/dbraw/zinc/27/83/45/635278345.db2.gz JNOLGCZTRIICAX-DDHJBXDOSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1C[N@H+](C)C[C@@H]1C ZINC000925792805 635325601 /nfs/dbraw/zinc/32/56/01/635325601.db2.gz WGTSYXUZYGCZGY-RHYQMDGZSA-N 2 0 211.353 0.382 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CNCC[C@@H]1C ZINC000925796988 635335413 /nfs/dbraw/zinc/33/54/13/635335413.db2.gz SQOCUMWWAYAILN-LOWDOPEQSA-N 2 0 225.380 0.820 20 0 BCADRP COCCC[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925814620 635378052 /nfs/dbraw/zinc/37/80/52/635378052.db2.gz KKTRRTMPEIBZSL-LBPRGKRZSA-N 2 0 243.395 0.814 20 0 BCADRP [NH3+]C1CCN(CC[NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000925817409 635386575 /nfs/dbraw/zinc/38/65/75/635386575.db2.gz RNDSNJQXUDWWJT-CYBMUJFWSA-N 3 0 240.395 0.141 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000925892884 635617676 /nfs/dbraw/zinc/61/76/76/635617676.db2.gz HFFGIBINYQCQLZ-AEJSXWLSSA-N 2 0 237.351 0.388 20 0 BCADRP CC(C)([NH3+])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335642619 635886855 /nfs/dbraw/zinc/88/68/55/635886855.db2.gz ZCSGNTKKBYUFRN-NSHDSACASA-N 2 0 211.309 0.078 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000304601938 635944737 /nfs/dbraw/zinc/94/47/37/635944737.db2.gz VKXYZYFXQPZLRK-NEPJUHHUSA-N 2 0 228.336 0.069 20 0 BCADRP CN1CC[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000054243556 636242735 /nfs/dbraw/zinc/24/27/35/636242735.db2.gz SAZPDZVEIHHDGE-GFCCVEGCSA-N 2 0 211.353 0.622 20 0 BCADRP [NH3+]Cc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC000082697452 636399578 /nfs/dbraw/zinc/39/95/78/636399578.db2.gz BNSBDYRGTZBEMD-UHFFFAOYSA-N 2 0 219.288 0.191 20 0 BCADRP C[NH2+]CCNC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000841724590 636611769 /nfs/dbraw/zinc/61/17/69/636611769.db2.gz GVHWDSTVVOIHKZ-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000990279623 636927198 /nfs/dbraw/zinc/92/71/98/636927198.db2.gz XVFDSROCCYHFON-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C[C@@H]3CC[NH2+]C3)CC[C@@H]21 ZINC000866702718 636932041 /nfs/dbraw/zinc/93/20/41/636932041.db2.gz AIOAKNGIXHYMDR-UPJWGTAASA-N 2 0 223.364 0.622 20 0 BCADRP [NH3+]CCCCCC(=O)NCC[NH2+]C1CC1 ZINC000154141878 637031716 /nfs/dbraw/zinc/03/17/16/637031716.db2.gz OMDSBWFLQVEQQK-UHFFFAOYSA-N 2 0 213.325 0.374 20 0 BCADRP CC[C@H]1CO[C@@H](C)C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000042308393 637169227 /nfs/dbraw/zinc/16/92/27/637169227.db2.gz QYVQIHARHSVCMZ-STQMWFEESA-N 2 0 241.379 0.391 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCOCCO)C1 ZINC000902363784 637301164 /nfs/dbraw/zinc/30/11/64/637301164.db2.gz NJXRFPWJGJFUIQ-LLVKDONJSA-N 2 0 230.352 0.363 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCON)[C@H](C)C1 ZINC000902419716 637304081 /nfs/dbraw/zinc/30/40/81/637304081.db2.gz JSCIXWHMNKCZPG-GHMZBOCLSA-N 2 0 215.341 0.587 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@H]1COCCO1 ZINC000903463464 637365007 /nfs/dbraw/zinc/36/50/07/637365007.db2.gz BTKQMIJBSZKJDB-WOPDTQHZSA-N 2 0 228.336 0.189 20 0 BCADRP [NH3+][C@H]1CCCN(C[C@H]2C[C@@]23CCOC3)C1 ZINC000903551319 637371609 /nfs/dbraw/zinc/37/16/09/637371609.db2.gz FHGVDZOGHXMAHV-GRYCIOLGSA-N 2 0 210.321 0.836 20 0 BCADRP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCCOCC1 ZINC000903722926 637380135 /nfs/dbraw/zinc/38/01/35/637380135.db2.gz QQFFHVIADWKXFK-QWHCGFSZSA-N 2 0 240.347 0.477 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000903788296 637381592 /nfs/dbraw/zinc/38/15/92/637381592.db2.gz HZMBWVSTBZGENA-SDDRHHMPSA-N 2 0 240.347 0.856 20 0 BCADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903788057 637381750 /nfs/dbraw/zinc/38/17/50/637381750.db2.gz BDBPJMPMMRHNSQ-MELADBBJSA-N 3 0 237.391 0.917 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000903788583 637381772 /nfs/dbraw/zinc/38/17/72/637381772.db2.gz OHKJPCYZMRQVBR-GHMZBOCLSA-N 2 0 230.352 0.565 20 0 BCADRP C[C@@H]1CN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000903789079 637384576 /nfs/dbraw/zinc/38/45/76/637384576.db2.gz UGMJRCISYXXQQE-FDYHWXHSSA-N 2 0 239.363 0.034 20 0 BCADRP [NH3+]CCCCCC[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000903841377 637384817 /nfs/dbraw/zinc/38/48/17/637384817.db2.gz XBNWBKSPVAEGMG-QWRGUYRKSA-N 2 0 218.316 0.910 20 0 BCADRP [NH3+]CCCCCC[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000903841376 637385189 /nfs/dbraw/zinc/38/51/89/637385189.db2.gz XBNWBKSPVAEGMG-MNOVXSKESA-N 2 0 218.316 0.910 20 0 BCADRP C(N1CC[C@]2(C1)CCCC[NH2+]2)C12CC(C1)C[NH2+]2 ZINC000904429484 637397563 /nfs/dbraw/zinc/39/75/63/637397563.db2.gz JBYIIUNDQIONMH-MOKVOYLWSA-N 2 0 235.375 0.956 20 0 BCADRP CC(C)([NH3+])CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000904431745 637400380 /nfs/dbraw/zinc/40/03/80/637400380.db2.gz ZMPRXGAJEIBJMC-LBPRGKRZSA-N 2 0 211.353 0.942 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000904461852 637407007 /nfs/dbraw/zinc/40/70/07/637407007.db2.gz OZGAHMACFAMWDC-HBNTYKKESA-N 2 0 211.353 0.572 20 0 BCADRP NOCCC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904457431 637418997 /nfs/dbraw/zinc/41/89/97/637418997.db2.gz OUOZJRPAQUBFIP-FGWVZKOKSA-N 2 0 213.325 0.387 20 0 BCADRP CC(C)[C@H](C[NH3+])CN[C@@H]1C[NH2+]CC1(C)C ZINC000904461217 637420182 /nfs/dbraw/zinc/42/01/82/637420182.db2.gz HBGQCDVSVDNCGV-GHMZBOCLSA-N 2 0 213.369 0.805 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+][C@]2(C)CCNC2=O)CC[NH2+]1 ZINC000904469973 637422234 /nfs/dbraw/zinc/42/22/34/637422234.db2.gz SSJZJTMVGZXEDS-CKYFFXLPSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)C1 ZINC000904472428 637425486 /nfs/dbraw/zinc/42/54/86/637425486.db2.gz JBQKIWJBQHTWLQ-SRRSOLGSSA-N 2 0 237.347 0.515 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC(C)(C)C[NH3+] ZINC000904926046 637529428 /nfs/dbraw/zinc/52/94/28/637529428.db2.gz OVMWAILHMPTYLO-JTQLQIEISA-N 2 0 201.314 0.357 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@H](C[NH3+])CC(C)C ZINC000904926604 637531659 /nfs/dbraw/zinc/53/16/59/637531659.db2.gz VWJKXFLWKMQTIM-CMPLNLGQSA-N 2 0 229.368 0.994 20 0 BCADRP C[C@H](Cn1ccnc1)[NH2+]C[C@@](C)(O)C(F)F ZINC000905047983 637567554 /nfs/dbraw/zinc/56/75/54/637567554.db2.gz WDTGHLNPDTUADJ-PSASIEDQSA-N 2 0 233.262 0.877 20 0 BCADRP C[NH+](C)CCn1cc([C@@H]([NH3+])c2ccccc2)nn1 ZINC000905061700 637597088 /nfs/dbraw/zinc/59/70/88/637597088.db2.gz KTDNRCIEQOHCCP-ZDUSSCGKSA-N 2 0 245.330 0.888 20 0 BCADRP C[NH+](C)CCn1cc(-c2cccc(C[NH3+])c2)nn1 ZINC000905061098 637597220 /nfs/dbraw/zinc/59/72/20/637597220.db2.gz CKMXAOBMMJGZEU-UHFFFAOYSA-N 2 0 245.330 0.965 20 0 BCADRP C[NH+](C)CCOCC[NH2+]C[C@](C)(O)C(F)F ZINC000905199150 637692713 /nfs/dbraw/zinc/69/27/13/637692713.db2.gz FGXBWKGNIIUSOH-JTQLQIEISA-N 2 0 240.294 0.170 20 0 BCADRP C(c1noc([C@@H]2CC23C[NH2+]C3)n1)C1CC[NH2+]CC1 ZINC000905312813 637741580 /nfs/dbraw/zinc/74/15/80/637741580.db2.gz DODAKVUJNHEVRG-JTQLQIEISA-N 2 0 248.330 0.689 20 0 BCADRP CN(C[C@@H](O)C[NH2+]C1CC(CCO)C1)C1CC1 ZINC000905672112 637885351 /nfs/dbraw/zinc/88/53/51/637885351.db2.gz UPYPXQUMROWADC-XIVSLSHWSA-N 2 0 242.363 0.192 20 0 BCADRP OCCC1CC([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000905670505 637885859 /nfs/dbraw/zinc/88/58/59/637885859.db2.gz LKXGRPGKHHSSJF-WXRRBKDZSA-N 2 0 242.363 0.194 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000906091957 638048048 /nfs/dbraw/zinc/04/80/48/638048048.db2.gz QZUDPOONIFWNIC-OUAUKWLOSA-N 2 0 227.352 0.746 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000906092022 638049245 /nfs/dbraw/zinc/04/92/45/638049245.db2.gz SCVXTOXHTFCQNP-OUAUKWLOSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000906092207 638049480 /nfs/dbraw/zinc/04/94/80/638049480.db2.gz UYIOECQVOJPVTM-SDDRHHMPSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000906091955 638049682 /nfs/dbraw/zinc/04/96/82/638049682.db2.gz QZUDPOONIFWNIC-GMTAPVOTSA-N 2 0 227.352 0.746 20 0 BCADRP Cc1ccc(O)c(C[NH2+][C@H]2C[C@H]([NH3+])C2)n1 ZINC000906508622 638181326 /nfs/dbraw/zinc/18/13/26/638181326.db2.gz RXFWPRXGNTUNOZ-KYZUINATSA-N 2 0 207.277 0.675 20 0 BCADRP [NH3+]C1CC(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000906510411 638183465 /nfs/dbraw/zinc/18/34/65/638183465.db2.gz IBJBOIAAYDHPEH-UDSBESMDSA-N 2 0 223.364 0.986 20 0 BCADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000906519301 638187812 /nfs/dbraw/zinc/18/78/12/638187812.db2.gz XVSPKPSUHZJDHM-LZQZFOIKSA-N 3 0 209.337 0.454 20 0 BCADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000906519305 638189688 /nfs/dbraw/zinc/18/96/88/638189688.db2.gz XVSPKPSUHZJDHM-NGDQXYMTSA-N 3 0 209.337 0.454 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713239017 711452846 /nfs/dbraw/zinc/45/28/46/711452846.db2.gz JZPRYTWERGTWCW-MDZLAQPJSA-N 2 0 239.363 0.572 20 0 BCADRP C[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000907805951 638471314 /nfs/dbraw/zinc/47/13/14/638471314.db2.gz XQVFGDUFHSTAPM-TXEJJXNPSA-N 2 0 249.358 0.102 20 0 BCADRP C[NH+](C)CC1CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000908532904 639005169 /nfs/dbraw/zinc/00/51/69/639005169.db2.gz ILXCVAKXJITPIQ-UHFFFAOYSA-N 2 0 239.363 0.491 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CCC([NH3+])CC1 ZINC000911619227 639681384 /nfs/dbraw/zinc/68/13/84/639681384.db2.gz GGWDMTWKYBJDEN-SNVBAGLBSA-N 2 0 227.352 0.700 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCC([NH3+])CC1 ZINC000911619483 639682814 /nfs/dbraw/zinc/68/28/14/639682814.db2.gz IYONNGIUEHHUFW-GXSJLCMTSA-N 2 0 227.352 0.700 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911624378 639684537 /nfs/dbraw/zinc/68/45/37/639684537.db2.gz RWTMHMDCKXUTTE-LMLFDSFASA-N 2 0 223.320 0.077 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911622882 639685104 /nfs/dbraw/zinc/68/51/04/639685104.db2.gz JTDUHGLIESNYCD-RYUDHWBXSA-N 2 0 239.363 0.809 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911622883 639685752 /nfs/dbraw/zinc/68/57/52/639685752.db2.gz JTDUHGLIESNYCD-VXGBXAGGSA-N 2 0 239.363 0.809 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000911629135 639690444 /nfs/dbraw/zinc/69/04/44/639690444.db2.gz TZOSKKMNGVDRPD-CYBMUJFWSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911672398 639698986 /nfs/dbraw/zinc/69/89/86/639698986.db2.gz DNNVXMWGYUINPT-HBNTYKKESA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+][C@H](C(=O)N1CC[NH2+]CC1)C1CCCCCC1 ZINC000911647078 639700005 /nfs/dbraw/zinc/70/00/05/639700005.db2.gz OJNDFPAKJFZLKQ-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]CCCNC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC000911647507 639701759 /nfs/dbraw/zinc/70/17/59/639701759.db2.gz DQXXZKKTYQOPSN-LLVKDONJSA-N 2 0 227.352 0.749 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])C(=O)NCCC[NH3+] ZINC000911648983 639704532 /nfs/dbraw/zinc/70/45/32/639704532.db2.gz YRDFCENMJVXUEH-LLVKDONJSA-N 2 0 215.341 0.463 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911654943 639709945 /nfs/dbraw/zinc/70/99/45/639709945.db2.gz DOPYYMNGLGIIEB-GMTAPVOTSA-N 2 0 225.336 0.052 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000911656199 639712754 /nfs/dbraw/zinc/71/27/54/639712754.db2.gz KVWSXAMRXHSPQZ-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C23CCC(CC2)[NH2+]3)C1 ZINC000911657470 639714341 /nfs/dbraw/zinc/71/43/41/639714341.db2.gz UTIJLFWPZZIGJT-YZRBJQDESA-N 2 0 223.320 0.091 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911674838 639714840 /nfs/dbraw/zinc/71/48/40/639714840.db2.gz XLIDUXYGRVKCSS-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP C[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)CCC1(C)C ZINC000712620395 711473955 /nfs/dbraw/zinc/47/39/55/711473955.db2.gz YWPSHPPKXCKYMV-SNVBAGLBSA-N 2 0 225.336 0.291 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]C1 ZINC000911698426 639734100 /nfs/dbraw/zinc/73/41/00/639734100.db2.gz HJJRVZXRCUZDIP-ZJUUUORDSA-N 2 0 213.325 0.228 20 0 BCADRP CC[NH2+]CCCNC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000911687461 639725176 /nfs/dbraw/zinc/72/51/76/639725176.db2.gz FWPFHKDWLRDTKX-GHMZBOCLSA-N 2 0 227.352 0.348 20 0 BCADRP CC[NH2+]CCCNC(=O)C12CCC(CC1)[NH2+]2 ZINC000911687904 639728003 /nfs/dbraw/zinc/72/80/03/639728003.db2.gz JRWCXWLHUQVYPD-UHFFFAOYSA-N 2 0 225.336 0.387 20 0 BCADRP CN(C(=O)C1=CCC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000911691853 639729323 /nfs/dbraw/zinc/72/93/23/639729323.db2.gz GHDHCKVUXYNWES-UHFFFAOYSA-N 2 0 237.347 0.507 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N(C)C1CC[NH2+]CC1 ZINC000911694478 639730969 /nfs/dbraw/zinc/73/09/69/639730969.db2.gz ZWLCWRLKGPABBB-GHMZBOCLSA-N 2 0 239.363 0.442 20 0 BCADRP [NH3+][C@H](C(=O)N[C@H]1CC[NH2+]C1)C1CCCCCC1 ZINC000911698859 639733346 /nfs/dbraw/zinc/73/33/46/639733346.db2.gz LUXZFGFFASGMFO-RYUDHWBXSA-N 2 0 239.363 0.762 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000911698801 639734076 /nfs/dbraw/zinc/73/40/76/639734076.db2.gz KRARGMRKEVKKHC-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)C23CCC(CC2)[NH2+]3)C1 ZINC000911712406 639737866 /nfs/dbraw/zinc/73/78/66/639737866.db2.gz AYOXUHOAMOKYTR-XSRFYTQQSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+]C1CC(CC(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000911713390 639739542 /nfs/dbraw/zinc/73/95/42/639739542.db2.gz GTJOORQBNXTMHZ-ILDUYXDCSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH2+]CCCCC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911713414 639739816 /nfs/dbraw/zinc/73/98/16/639739816.db2.gz HHZUCBUZQKNSQU-LLVKDONJSA-N 2 0 227.352 0.634 20 0 BCADRP C[NH2+]C1(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CCC1 ZINC000911719746 639742528 /nfs/dbraw/zinc/74/25/28/639742528.db2.gz OUDWGLZDTCQVAJ-GHMZBOCLSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911722887 639744683 /nfs/dbraw/zinc/74/46/83/639744683.db2.gz VZKJCHNBFSMIRF-WYUUTHIRSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000911723493 639748812 /nfs/dbraw/zinc/74/88/12/639748812.db2.gz DTDCHGYFIRGJAU-OUAUKWLOSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@H](NC(=O)CC(C)(C)C[NH3+])[C@H]1CCC[NH2+]C1 ZINC000911725035 639752518 /nfs/dbraw/zinc/75/25/18/639752518.db2.gz HNPGIYGCXGARJJ-QWRGUYRKSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]C1(C(=O)NC[C@H]2CCC[NH2+]C2)CCC1 ZINC000911703609 639757898 /nfs/dbraw/zinc/75/78/98/639757898.db2.gz GXWDMDFCQBUZNR-JTQLQIEISA-N 2 0 225.336 0.244 20 0 BCADRP C[NH+](C)C1(C(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000911707162 639759246 /nfs/dbraw/zinc/75/92/46/639759246.db2.gz LBZCWIOUXBNCNP-SNVBAGLBSA-N 2 0 225.336 0.278 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000911707143 639759506 /nfs/dbraw/zinc/75/95/06/639759506.db2.gz KVKUFIOKRXHPHM-QWRGUYRKSA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000911734125 639759890 /nfs/dbraw/zinc/75/98/90/639759890.db2.gz ITABPTAEZPIAOP-GHMZBOCLSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911708848 639759947 /nfs/dbraw/zinc/75/99/47/639759947.db2.gz YMWHDDCCNUSMJZ-IJLUTSLNSA-N 2 0 239.363 0.348 20 0 BCADRP C[NH+](C)C1(C(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000911707161 639759956 /nfs/dbraw/zinc/75/99/56/639759956.db2.gz LBZCWIOUXBNCNP-JTQLQIEISA-N 2 0 225.336 0.278 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000911707303 639760621 /nfs/dbraw/zinc/76/06/21/639760621.db2.gz LNRAZFCHIYGNJP-WHXUTIOJSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C[C@H]([NH3+])CC(C)C)C1 ZINC000911735812 639763208 /nfs/dbraw/zinc/76/32/08/639763208.db2.gz MPNJFIYNYYKVBA-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]CCCCC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000911736965 639763254 /nfs/dbraw/zinc/76/32/54/639763254.db2.gz PDBDJXRGOIDGHS-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])C(=O)N1CC[C@H](C[NH3+])C1 ZINC000911737917 639765086 /nfs/dbraw/zinc/76/50/86/639765086.db2.gz FDNOHSHFTDKNMD-DGCLKSJQSA-N 2 0 241.379 0.805 20 0 BCADRP C[C@@H]1[NH2+]CCn2c(C(=O)N3CC[C@H]([NH3+])C3)ccc21 ZINC000911739305 639765166 /nfs/dbraw/zinc/76/51/66/639765166.db2.gz TVMMXMDJKQNUAQ-UWVGGRQHSA-N 2 0 248.330 0.326 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)NCC[C@H](C)[NH3+] ZINC000911744029 639771072 /nfs/dbraw/zinc/77/10/72/639771072.db2.gz GIWNKSWABPVFFQ-VHSXEESVSA-N 2 0 215.341 0.603 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911756046 639773736 /nfs/dbraw/zinc/77/37/36/639773736.db2.gz WQWJRGMICGIXAV-GARJFASQSA-N 2 0 225.336 0.372 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)C12CCC(CC1)[NH2+]2 ZINC000911756085 639774929 /nfs/dbraw/zinc/77/49/29/639774929.db2.gz XFNRKEZIZFYMEF-YZRBJQDESA-N 2 0 223.320 0.139 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000911751265 639777494 /nfs/dbraw/zinc/77/74/94/639777494.db2.gz VDDBFAKJFODQNE-LLVKDONJSA-N 2 0 227.352 0.585 20 0 BCADRP CC[NH2+]CCNC(=O)CCSCCC[NH3+] ZINC000911750681 639777687 /nfs/dbraw/zinc/77/76/87/639777687.db2.gz OUFIHMXKQKKCBG-UHFFFAOYSA-N 2 0 233.381 0.184 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911750980 639778142 /nfs/dbraw/zinc/77/81/42/639778142.db2.gz HJUDXEBLCVRYIG-NWDGAFQWSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)(C[NH3+])CC(=O)NCC[NH2+]C1CC1 ZINC000911752725 639780942 /nfs/dbraw/zinc/78/09/42/639780942.db2.gz SMMYSZPQPBXQCV-UHFFFAOYSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911752644 639782421 /nfs/dbraw/zinc/78/24/21/639782421.db2.gz XJZXHWLUBRAABE-UWVGGRQHSA-N 2 0 236.319 0.457 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911762448 639789809 /nfs/dbraw/zinc/78/98/09/639789809.db2.gz OCYZHGCQVYFXIA-AAEUAGOBSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)(C[NH3+])NC(=O)C(F)(F)C1CC[NH2+]CC1 ZINC000911763204 639790903 /nfs/dbraw/zinc/79/09/03/639790903.db2.gz FTVJIVWSCJMVNU-UHFFFAOYSA-N 2 0 249.305 0.475 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C1([NH+](C)C)CC1 ZINC000911763855 639791127 /nfs/dbraw/zinc/79/11/27/639791127.db2.gz MZFOTJQCWHLRNR-UHFFFAOYSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+]C1CC(C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000911766615 639793649 /nfs/dbraw/zinc/79/36/49/639793649.db2.gz GLZZUALMZJDSQS-WHXUTIOJSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@@H]1C[C@H](C(=O)NCC[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000911775360 639794920 /nfs/dbraw/zinc/79/49/20/639794920.db2.gz NVTIOMWIDBTMIJ-GRYCIOLGSA-N 2 0 239.363 0.490 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C1 ZINC000911775369 639795651 /nfs/dbraw/zinc/79/56/51/639795651.db2.gz SCSQFXSLZYFPHW-WZRBSPASSA-N 2 0 237.347 0.196 20 0 BCADRP O=C(NCC[C@H]1CC[NH2+]C1)C12CCC(CC1)[NH2+]2 ZINC000911774386 639796580 /nfs/dbraw/zinc/79/65/80/639796580.db2.gz HMSSYFCYBTVOCJ-XSRFYTQQSA-N 2 0 237.347 0.387 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C1 ZINC000911775368 639796709 /nfs/dbraw/zinc/79/67/09/639796709.db2.gz SCSQFXSLZYFPHW-LOWVWBTDSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000911777014 639797408 /nfs/dbraw/zinc/79/74/08/639797408.db2.gz GQHHABBMCWSDJY-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000911761492 639802374 /nfs/dbraw/zinc/80/23/74/639802374.db2.gz BPURDVGITOJSPX-VXGBXAGGSA-N 2 0 241.379 0.736 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)C(F)(F)C1CC[NH2+]CC1 ZINC000911813513 639802559 /nfs/dbraw/zinc/80/25/59/639802559.db2.gz OBSMFCJYIGTDRU-QMMMGPOBSA-N 2 0 249.305 0.427 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH3+] ZINC000911814893 639803515 /nfs/dbraw/zinc/80/35/15/639803515.db2.gz VWEOWINTGSZOPM-GHMZBOCLSA-N 2 0 227.352 0.665 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000911814290 639803795 /nfs/dbraw/zinc/80/37/95/639803795.db2.gz QWANJNYXEBMRCX-AEJSXWLSSA-N 2 0 213.325 0.310 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911786355 639804425 /nfs/dbraw/zinc/80/44/25/639804425.db2.gz AIFZQRGEVSZBDF-RYUDHWBXSA-N 2 0 239.363 0.680 20 0 BCADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000911790903 639806820 /nfs/dbraw/zinc/80/68/20/639806820.db2.gz VHIMOYCTULZUDT-JQWIXIFHSA-N 2 0 245.326 0.866 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000035663371 639811074 /nfs/dbraw/zinc/81/10/74/639811074.db2.gz MIGYCXIDUDGFHM-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H](O)[C@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000930600738 639816962 /nfs/dbraw/zinc/81/69/62/639816962.db2.gz AOXFBZVVUUFICA-XQQFMLRXSA-N 2 0 242.363 0.146 20 0 BCADRP C[C@@H]1C[C@H](C(=O)NC2(C[NH3+])CCCC2)CC[NH2+]1 ZINC000911799154 639820310 /nfs/dbraw/zinc/82/03/10/639820310.db2.gz FRUZNBQTOOVLLC-GHMZBOCLSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)(C[NH3+])CC(=O)NC1(C[NH3+])CCCC1 ZINC000911798916 639820592 /nfs/dbraw/zinc/82/05/92/639820592.db2.gz CRRWOEKKPOAUPS-UHFFFAOYSA-N 2 0 227.352 0.749 20 0 BCADRP C[NH2+]CCCCC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000911799497 639820664 /nfs/dbraw/zinc/82/06/64/639820664.db2.gz YXDQWFPNYCTZTB-PHIMTYICSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+]CCCCC(=O)N1CC[NH2+][C@H](C)C1 ZINC000911801664 639824758 /nfs/dbraw/zinc/82/47/58/639824758.db2.gz FRBLUHFYAJYGSO-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911803539 639825306 /nfs/dbraw/zinc/82/53/06/639825306.db2.gz SMGKJQBHQNGNHE-GXFFZTMASA-N 2 0 241.379 0.994 20 0 BCADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000911810592 639832813 /nfs/dbraw/zinc/83/28/13/639832813.db2.gz OGNIGJHPBBRTJZ-GWCFXTLKSA-N 2 0 245.326 0.866 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C1=CCC[NH2+]CC1 ZINC000911811546 639832976 /nfs/dbraw/zinc/83/29/76/639832976.db2.gz CCUWIXKHRFYTEY-SECBINFHSA-N 2 0 211.309 0.102 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)CC1CC([NH3+])C1 ZINC000911811463 639833148 /nfs/dbraw/zinc/83/31/48/639833148.db2.gz AKCRSODRXFPJDZ-ILDUYXDCSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000911820151 639835670 /nfs/dbraw/zinc/83/56/70/639835670.db2.gz FTMJWVXLPWWTLV-QWRGUYRKSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000911819466 639835779 /nfs/dbraw/zinc/83/57/79/639835779.db2.gz DMJYOZHMCQQABX-IJLUTSLNSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000911820146 639835819 /nfs/dbraw/zinc/83/58/19/639835819.db2.gz FTMJWVXLPWWTLV-GHMZBOCLSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000911820152 639836053 /nfs/dbraw/zinc/83/60/53/639836053.db2.gz FTMJWVXLPWWTLV-WDEREUQCSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]1CN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)CC[C@@H]1[NH3+] ZINC000911821057 639836195 /nfs/dbraw/zinc/83/61/95/639836195.db2.gz UFEJEFRBRPIFOP-NOHGZBONSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000911813174 639836203 /nfs/dbraw/zinc/83/62/03/639836203.db2.gz WJQOQEGAFHMCRX-VXGBXAGGSA-N 2 0 239.363 0.680 20 0 BCADRP C[NH2+]CCCCC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000911823665 639836987 /nfs/dbraw/zinc/83/69/87/639836987.db2.gz MKOAMOCYTVFFEB-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CC(C)(C)C[NH3+] ZINC000911826552 639839844 /nfs/dbraw/zinc/83/98/44/639839844.db2.gz PDXMOSWVPFITMM-SECBINFHSA-N 2 0 215.341 0.461 20 0 BCADRP C[NH2+]CCCCC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000911828199 639839866 /nfs/dbraw/zinc/83/98/66/639839866.db2.gz YIDOUIWVQZOVRN-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CC(C)(C)C[NH3+])C1 ZINC000911826959 639839981 /nfs/dbraw/zinc/83/99/81/639839981.db2.gz VIDQRIVOSGGKLI-GHMZBOCLSA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)NC[C@H]([NH3+])C(C)C ZINC000911830065 639840440 /nfs/dbraw/zinc/84/04/40/639840440.db2.gz OFKWIYQBNBZTAD-MNOVXSKESA-N 2 0 229.368 0.849 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000911829707 639841237 /nfs/dbraw/zinc/84/12/37/639841237.db2.gz NEXFBSZTCNGFPB-GMTAPVOTSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000911831638 639842875 /nfs/dbraw/zinc/84/28/75/639842875.db2.gz MFQDCCMUSJFKGV-NQBHXWOUSA-N 2 0 241.379 0.722 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911832228 639843729 /nfs/dbraw/zinc/84/37/29/639843729.db2.gz GXLLIMWDFRRMFJ-LSJOCFKGSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[C@H]1[NH3+] ZINC000911817018 639848005 /nfs/dbraw/zinc/84/80/05/639848005.db2.gz FORJZBKMUQUPDV-NXEZZACHSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[C@H]1[NH3+] ZINC000911818006 639849727 /nfs/dbraw/zinc/84/97/27/639849727.db2.gz KLVPTYNZFJNJKV-PREPNJAASA-N 2 0 237.347 0.323 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(C)(C)C)CC[C@@H]1[NH3+] ZINC000911817289 639849910 /nfs/dbraw/zinc/84/99/10/639849910.db2.gz GRVGFQLLRWECKU-OUAUKWLOSA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C12CC(C1)C[NH2+]2 ZINC000911870511 639853320 /nfs/dbraw/zinc/85/33/20/639853320.db2.gz NKIOOMBUAFPRKH-AKJDGMEZSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+]CCCCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000911844814 639854355 /nfs/dbraw/zinc/85/43/55/639854355.db2.gz CMXHKQSFPOXKPH-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CC[NH2+]CC1(C)C ZINC000911847792 639857106 /nfs/dbraw/zinc/85/71/06/639857106.db2.gz QENQBNNTNZBGRQ-SNVBAGLBSA-N 2 0 241.379 0.960 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911857695 639861982 /nfs/dbraw/zinc/86/19/82/639861982.db2.gz JIFSRZXGABHTDU-RKDXNWHRSA-N 2 0 213.325 0.215 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C1([NH2+]C)CCC1 ZINC000911877930 639865039 /nfs/dbraw/zinc/86/50/39/639865039.db2.gz CUBODZUVWJBSNA-JTQLQIEISA-N 2 0 227.352 0.762 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C12CCC(CC1)[NH2+]2 ZINC000911879140 639865413 /nfs/dbraw/zinc/86/54/13/639865413.db2.gz DJLVQZWWYFLKIE-AKJDGMEZSA-N 2 0 239.363 0.905 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)CC(C)(C)C[NH3+] ZINC000911882258 639866267 /nfs/dbraw/zinc/86/62/67/639866267.db2.gz URQASIRQWIITPB-JTQLQIEISA-N 2 0 229.368 0.995 20 0 BCADRP C[NH+]1CCC(C[NH2+]C2(CO)CCC2)CC1 ZINC000129424401 640101968 /nfs/dbraw/zinc/10/19/68/640101968.db2.gz AOJDSKGCPQSPRE-UHFFFAOYSA-N 2 0 212.337 0.833 20 0 BCADRP CN(C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3C[C@@]34CCOC4)C[C@H]21 ZINC000931275844 640122672 /nfs/dbraw/zinc/12/26/72/640122672.db2.gz ANOGPKDPPRYFBG-ODXJTPSBSA-N 2 0 236.359 0.905 20 0 BCADRP CN(C)[C@@H]1[C@H]2C[N@H+](C[C@H]3C[C@]34CCOC4)C[C@H]21 ZINC000931275840 640122882 /nfs/dbraw/zinc/12/28/82/640122882.db2.gz ANOGPKDPPRYFBG-DGTMBMJNSA-N 2 0 236.359 0.905 20 0 BCADRP CCOCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431834 640198989 /nfs/dbraw/zinc/19/89/89/640198989.db2.gz QIUDSDZTDNQEPR-NWDGAFQWSA-N 2 0 212.337 0.906 20 0 BCADRP Cn1cncc1CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931435408 640202109 /nfs/dbraw/zinc/20/21/09/640202109.db2.gz APGHPQHERDXMIK-OLZOCXBDSA-N 2 0 248.374 0.846 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432932 640202149 /nfs/dbraw/zinc/20/21/49/640202149.db2.gz KFBLDLDLDQWVSL-NWDGAFQWSA-N 2 0 239.363 0.348 20 0 BCADRP CC[C@@H](CO)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931441448 640205464 /nfs/dbraw/zinc/20/54/64/640205464.db2.gz IOXUHLZJUHVLOF-TUAOUCFPSA-N 2 0 212.337 0.641 20 0 BCADRP COCC(COC)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442282 640206183 /nfs/dbraw/zinc/20/61/83/640206183.db2.gz BAFSRRNTQUXNKY-NWDGAFQWSA-N 2 0 242.363 0.531 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@](C)(O)C(F)F)C[C@@H]2C1 ZINC000931443439 640207062 /nfs/dbraw/zinc/20/70/62/640207062.db2.gz XTDULUBMCBXQQF-JFGNBEQYSA-N 2 0 248.317 0.886 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]([NH+]2CCC2)C1)[NH+](C)C ZINC000912903557 640248930 /nfs/dbraw/zinc/24/89/30/640248930.db2.gz NFYMLEQQVXGVED-QWRGUYRKSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]([NH+]2CCC2)C1)[NH+](C)C ZINC000912903556 640250687 /nfs/dbraw/zinc/25/06/87/640250687.db2.gz NFYMLEQQVXGVED-MNOVXSKESA-N 2 0 225.336 0.243 20 0 BCADRP C[NH+](C)CC(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913290537 640348827 /nfs/dbraw/zinc/34/88/27/640348827.db2.gz YPPLFCMAPKRGSU-CHWSQXEVSA-N 2 0 239.363 0.348 20 0 BCADRP C[NH+](C)CC(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000913290536 640350301 /nfs/dbraw/zinc/35/03/01/640350301.db2.gz YPPLFCMAPKRGSU-BETUJISGSA-N 2 0 239.363 0.348 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000151407082 640376648 /nfs/dbraw/zinc/37/66/48/640376648.db2.gz MSXKCKISQQXJRT-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)C(=O)N(C)C ZINC000044518420 640398671 /nfs/dbraw/zinc/39/86/71/640398671.db2.gz QPEYKIFDRYHTOC-JTQLQIEISA-N 2 0 227.352 0.395 20 0 BCADRP C[NH+]1CCC(C[NH2+]CCn2cccn2)CC1 ZINC000044518047 640399972 /nfs/dbraw/zinc/39/99/72/640399972.db2.gz CLDUAJJPHDLHJX-UHFFFAOYSA-N 2 0 222.336 0.815 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055087123 640433752 /nfs/dbraw/zinc/43/37/52/640433752.db2.gz CIHVLUXSPGZRIG-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH2+]CC(=O)NCC1CC[NH+](CC)CC1 ZINC000044651687 640448014 /nfs/dbraw/zinc/44/80/14/640448014.db2.gz BBXOGQVSWCHRHF-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726828 640463025 /nfs/dbraw/zinc/46/30/25/640463025.db2.gz IEFITJFYOJKWMI-BDAKNGLRSA-N 2 0 211.309 0.077 20 0 BCADRP CC[N@@H+](CCC(N)=O)CC[C@@H]1CCC[NH+]1C ZINC000932478697 640544452 /nfs/dbraw/zinc/54/44/52/640544452.db2.gz KIOYEKTZYXVIOM-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167517017 640724756 /nfs/dbraw/zinc/72/47/56/640724756.db2.gz IUXYTMNLPSZOGO-IJLUTSLNSA-N 2 0 239.363 0.666 20 0 BCADRP CNC(=O)CCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933735009 640759248 /nfs/dbraw/zinc/75/92/48/640759248.db2.gz ZXEQIYZPKSSMGX-WCQYABFASA-N 2 0 239.363 0.396 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000226399500 640759772 /nfs/dbraw/zinc/75/97/72/640759772.db2.gz JMOQNJYSCPWOTJ-RKDXNWHRSA-N 2 0 213.325 0.323 20 0 BCADRP C[NH+]1CCC(C[NH2+]C[C@]2(O)CCOC2)CC1 ZINC000227120409 640816674 /nfs/dbraw/zinc/81/66/74/640816674.db2.gz GERCZPWOKXBZCT-GFCCVEGCSA-N 2 0 228.336 0.069 20 0 BCADRP C[N@@H+]1CCN(C[C@H]2CCC[NH2+]2)CC1(C)C ZINC000227649609 640844205 /nfs/dbraw/zinc/84/42/05/640844205.db2.gz YYXILKXXTQBKJF-LLVKDONJSA-N 2 0 211.353 0.764 20 0 BCADRP CC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229089527 640921689 /nfs/dbraw/zinc/92/16/89/640921689.db2.gz QWDSVOLEDVTJHF-VWYCJHECSA-N 2 0 200.326 0.674 20 0 BCADRP CC(C)[N@@H+](C)CCN[C@H](C)C[C@H]1COCC[NH2+]1 ZINC000229204282 640932926 /nfs/dbraw/zinc/93/29/26/640932926.db2.gz BDTXXNBFRRMVKL-OLZOCXBDSA-N 2 0 243.395 0.683 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973415 641114339 /nfs/dbraw/zinc/11/43/39/641114339.db2.gz FEJWGJDULNFACQ-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP Cn1cc(CC[N@@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC000230900137 641116613 /nfs/dbraw/zinc/11/66/13/641116613.db2.gz JRVHZMXMGPGXKK-NSHDSACASA-N 2 0 222.336 0.633 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC000913635876 641437729 /nfs/dbraw/zinc/43/77/29/641437729.db2.gz RCZVLICBKPJBNY-GHMZBOCLSA-N 2 0 237.347 0.291 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH3+])c2)C1 ZINC000040715729 641534958 /nfs/dbraw/zinc/53/49/58/641534958.db2.gz BGUDHRSWGHCJFX-CYBMUJFWSA-N 2 0 247.342 0.969 20 0 BCADRP CC[NH2+]CC(=O)N[C@H](C)C[NH+](CC)CC ZINC000041680226 641545491 /nfs/dbraw/zinc/54/54/91/641545491.db2.gz CDHSBRAEASTFIX-SNVBAGLBSA-N 2 0 215.341 0.442 20 0 BCADRP C[C@H]1C[C@H](NC(=O)c2c[nH+]ccc2N)CC[N@@H+]1C ZINC000158967831 641659274 /nfs/dbraw/zinc/65/92/74/641659274.db2.gz XSBIPDHHDJXQSB-VHSXEESVSA-N 2 0 248.330 0.876 20 0 BCADRP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000925408551 641666895 /nfs/dbraw/zinc/66/68/95/641666895.db2.gz QATZVGXGWFNWAX-GHMZBOCLSA-N 2 0 240.351 0.036 20 0 BCADRP C[NH+](C)[C@H]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000925408553 641668026 /nfs/dbraw/zinc/66/80/26/641668026.db2.gz QATZVGXGWFNWAX-MNOVXSKESA-N 2 0 240.351 0.036 20 0 BCADRP C[C@H](O)[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000929848472 641763295 /nfs/dbraw/zinc/76/32/95/641763295.db2.gz SJVWFSQPQMNIHD-WUHRBBMRSA-N 2 0 242.363 0.144 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000915153323 641805939 /nfs/dbraw/zinc/80/59/39/641805939.db2.gz NMUSAOKXYWPHKY-QWRGUYRKSA-N 2 0 242.367 0.330 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925433150 642001564 /nfs/dbraw/zinc/00/15/64/642001564.db2.gz WOIVUTNSUOJIFV-JTQLQIEISA-N 2 0 242.367 0.330 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089717704 642021232 /nfs/dbraw/zinc/02/12/32/642021232.db2.gz AALHSEFIKWTECB-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[N@H+](C[C@H](O)COC)C1CC[NH2+]CC1 ZINC000068892316 642383154 /nfs/dbraw/zinc/38/31/54/642383154.db2.gz QGDIXQJASDTVTE-LBPRGKRZSA-N 2 0 230.352 0.458 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000155184676 642436646 /nfs/dbraw/zinc/43/66/46/642436646.db2.gz DUACZGFKJFRMSW-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000891403536 642484017 /nfs/dbraw/zinc/48/40/17/642484017.db2.gz SFVKWVMZGDKEIH-MXWKQRLJSA-N 2 0 240.351 0.212 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@H](CCC[NH3+])COC ZINC000233461316 642671960 /nfs/dbraw/zinc/67/19/60/642671960.db2.gz IYRMBLGKKOAWNG-LLVKDONJSA-N 2 0 245.367 0.198 20 0 BCADRP COCC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000305963640 642714694 /nfs/dbraw/zinc/71/46/94/642714694.db2.gz XICSLKMQTLZEKY-ODWCKFRGSA-N 2 0 242.363 0.599 20 0 BCADRP [NH3+]CCCCCCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000237994479 642770648 /nfs/dbraw/zinc/77/06/48/642770648.db2.gz QYFUXGLUILAATN-LLVKDONJSA-N 2 0 227.352 0.764 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C[C@H](O)COC ZINC000068892343 642806898 /nfs/dbraw/zinc/80/68/98/642806898.db2.gz NORMKBKFHORVOZ-MNOVXSKESA-N 2 0 216.325 0.068 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016260725 642952763 /nfs/dbraw/zinc/95/27/63/642952763.db2.gz HHAGMSJAYSWZBD-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001018617438 643003937 /nfs/dbraw/zinc/00/39/37/643003937.db2.gz VCQBMNOFVGHHSZ-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001019153839 643020607 /nfs/dbraw/zinc/02/06/07/643020607.db2.gz MKWLQRACQLVTEN-NSHDSACASA-N 2 0 236.319 0.402 20 0 BCADRP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001020302825 643066441 /nfs/dbraw/zinc/06/64/41/643066441.db2.gz UJNMXMARYCDPEM-IJLUTSLNSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)CCCCC[NH3+] ZINC000049559664 643086811 /nfs/dbraw/zinc/08/68/11/643086811.db2.gz FLLFVSXUTGMPSS-NSHDSACASA-N 2 0 229.368 0.962 20 0 BCADRP CC[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031948471 643094179 /nfs/dbraw/zinc/09/41/79/643094179.db2.gz BZXPLGOIMVEUCX-UHFFFAOYSA-N 2 0 239.363 0.396 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000304542803 643124752 /nfs/dbraw/zinc/12/47/52/643124752.db2.gz KZLVCWSFXTXSHW-QWRGUYRKSA-N 2 0 224.352 0.654 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCF)C1)[NH+](C)C ZINC000969986430 643263095 /nfs/dbraw/zinc/26/30/95/643263095.db2.gz ZDTZLPSZFGUMAL-MNOVXSKESA-N 2 0 245.342 0.487 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000843497184 643366749 /nfs/dbraw/zinc/36/67/49/643366749.db2.gz FUIXUUOCZGIPQY-UWVGGRQHSA-N 2 0 213.325 0.039 20 0 BCADRP C[NH2+]CC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000082681388 643366699 /nfs/dbraw/zinc/36/66/99/643366699.db2.gz PDISPTKMNJBUGA-SECBINFHSA-N 2 0 240.269 0.841 20 0 BCADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001021052064 643396066 /nfs/dbraw/zinc/39/60/66/643396066.db2.gz XFKLTPYZQAAOSQ-XYPYZODXSA-N 2 0 243.326 0.289 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000068953518 643437295 /nfs/dbraw/zinc/43/72/95/643437295.db2.gz CISVCRYDICWQSD-GHMZBOCLSA-N 2 0 216.325 0.055 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000234219719 643605960 /nfs/dbraw/zinc/60/59/60/643605960.db2.gz IBKAIZGDWJGCLQ-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NCC[NH+]1CCCC1 ZINC000084218077 643649587 /nfs/dbraw/zinc/64/95/87/643649587.db2.gz YIEVQYXCWAHUKY-RYUDHWBXSA-N 2 0 211.353 0.799 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H]([NH+](C)C)C1 ZINC000084420607 643661542 /nfs/dbraw/zinc/66/15/42/643661542.db2.gz XBQRXOMYDWWWBX-AGIUHOORSA-N 2 0 225.380 0.868 20 0 BCADRP CC[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001000228384 643760256 /nfs/dbraw/zinc/76/02/56/643760256.db2.gz SJGZFNNJDABBBA-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCO ZINC000086500851 644145279 /nfs/dbraw/zinc/14/52/79/644145279.db2.gz YPODRGLJQTVOGU-MNOVXSKESA-N 2 0 200.326 0.879 20 0 BCADRP C[N@H+](CCS(C)(=O)=O)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000086855513 644192549 /nfs/dbraw/zinc/19/25/49/644192549.db2.gz ABJWEYKECZBROT-ZJUUUORDSA-N 2 0 234.365 0.090 20 0 BCADRP OC[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000923004480 644227917 /nfs/dbraw/zinc/22/79/17/644227917.db2.gz FDZIICJRLYUAJT-ZDEQEGDKSA-N 2 0 224.348 0.974 20 0 BCADRP CCOCCOCC[NH+]1CCC(C[NH3+])CC1 ZINC000923276708 644308406 /nfs/dbraw/zinc/30/84/06/644308406.db2.gz ANMJMBKOFSXFFJ-UHFFFAOYSA-N 2 0 230.352 0.710 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000923283697 644309375 /nfs/dbraw/zinc/30/93/75/644309375.db2.gz XKACMPQSBHTVMB-STQMWFEESA-N 2 0 244.379 0.705 20 0 BCADRP CC(C)OCC[C@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000923276978 644309826 /nfs/dbraw/zinc/30/98/26/644309826.db2.gz HVASUHWMCNMYIX-ZDUSSCGKSA-N 2 0 244.379 0.833 20 0 BCADRP CCOCCOCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923280148 644312664 /nfs/dbraw/zinc/31/26/64/644312664.db2.gz GZVCSQIAVJJWFE-LBPRGKRZSA-N 2 0 230.352 0.710 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000923282518 644318078 /nfs/dbraw/zinc/31/80/78/644318078.db2.gz VIHRAFXXOPFGHY-LLVKDONJSA-N 2 0 216.325 0.320 20 0 BCADRP C[NH2+][C@@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923284909 644318381 /nfs/dbraw/zinc/31/83/81/644318381.db2.gz WUBMCSCHMVXBTP-VXGBXAGGSA-N 2 0 239.363 0.049 20 0 BCADRP C[C@@H]1CN(CCC[NH2+]C2CC2)CC[C@@H]1[NH3+] ZINC000923289323 644324201 /nfs/dbraw/zinc/32/42/01/644324201.db2.gz GXWHWCBWVBXNLH-PWSUYJOCSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]1C[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H](C)O1 ZINC000923299102 644326932 /nfs/dbraw/zinc/32/69/32/644326932.db2.gz IEHRRZGDBZCIGH-IJLUTSLNSA-N 2 0 240.347 0.474 20 0 BCADRP CC(C)OCC[C@@H](O)CN1CCC[C@@H]1C[NH3+] ZINC000923293116 644329756 /nfs/dbraw/zinc/32/97/56/644329756.db2.gz NLYJYAOCFASQNV-VXGBXAGGSA-N 2 0 230.352 0.586 20 0 BCADRP C(C[NH2+]C1CC1)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923293171 644330407 /nfs/dbraw/zinc/33/04/07/644330407.db2.gz ORRANUPSJKFWGB-OLZOCXBDSA-N 2 0 223.364 0.955 20 0 BCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923291780 644330720 /nfs/dbraw/zinc/33/07/20/644330720.db2.gz UNJVEXFUSWMCFW-YNEHKIRRSA-N 2 0 244.379 0.689 20 0 BCADRP CC(C)COC[C@@H](O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000923295710 644331227 /nfs/dbraw/zinc/33/12/27/644331227.db2.gz FJZAZJQWVWATPR-STQMWFEESA-N 2 0 246.395 0.983 20 0 BCADRP CCOCC[C@@H](O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000923295719 644331978 /nfs/dbraw/zinc/33/19/78/644331978.db2.gz FPPWMLLGSNQLHG-VXGBXAGGSA-N 2 0 230.352 0.491 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923294592 644332631 /nfs/dbraw/zinc/33/26/31/644332631.db2.gz KEYQKDMGEJPASZ-VXGBXAGGSA-N 2 0 239.363 0.049 20 0 BCADRP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)CC(C)(C)C[NH3+] ZINC000923294427 644332962 /nfs/dbraw/zinc/33/29/62/644332962.db2.gz LNWKIUCOJLFOBU-LLVKDONJSA-N 3 0 241.379 0.282 20 0 BCADRP CC(C)COC[C@@H](O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000923295364 644333138 /nfs/dbraw/zinc/33/31/38/644333138.db2.gz YWWBMPALEMOPCD-LBPRGKRZSA-N 2 0 246.395 0.937 20 0 BCADRP CC(C)OC[C@H](O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000923296035 644335437 /nfs/dbraw/zinc/33/54/37/644335437.db2.gz NLIMHIFEVXZPOW-VXGBXAGGSA-N 2 0 232.368 0.735 20 0 BCADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[NH+]1CCSCC1 ZINC000923301010 644336986 /nfs/dbraw/zinc/33/69/86/644336986.db2.gz NHQPTOADYPJOHA-JTQLQIEISA-N 2 0 228.361 0.414 20 0 BCADRP CC[C@@H]1COCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923307624 644337358 /nfs/dbraw/zinc/33/73/58/644337358.db2.gz YRALWCZMKQMNME-NEPJUHHUSA-N 2 0 240.347 0.476 20 0 BCADRP COC[C@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923312100 644339856 /nfs/dbraw/zinc/33/98/56/644339856.db2.gz ARGDSRVZAVAHJK-RYUDHWBXSA-N 2 0 240.347 0.333 20 0 BCADRP C[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923312372 644341637 /nfs/dbraw/zinc/34/16/37/644341637.db2.gz HNTRFGVFTRKGMI-MNOVXSKESA-N 2 0 210.321 0.849 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@@H](C)CO1 ZINC000923304011 644341998 /nfs/dbraw/zinc/34/19/98/644341998.db2.gz AZKYHCPHSSMWDR-QJPTWQEYSA-N 2 0 240.347 0.474 20 0 BCADRP C[C@@H]1CSCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315291 644342975 /nfs/dbraw/zinc/34/29/75/644342975.db2.gz FWHFWNPRZMMCTG-MNOVXSKESA-N 2 0 242.388 0.802 20 0 BCADRP CC[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCS1 ZINC000923315505 644344067 /nfs/dbraw/zinc/34/40/67/644344067.db2.gz IPQCPAFMGZUZTB-VLEAKVRGSA-N 2 0 230.377 0.664 20 0 BCADRP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CCC1 ZINC000923316297 644344419 /nfs/dbraw/zinc/34/44/19/644344419.db2.gz NSTDFXACNUDWIK-LLVKDONJSA-N 2 0 210.321 0.849 20 0 BCADRP C[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)S1 ZINC000923309254 644345677 /nfs/dbraw/zinc/34/56/77/644345677.db2.gz OPHUHLKFLCJSOE-SSRBZLIGSA-N 2 0 230.377 0.663 20 0 BCADRP C[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCS1 ZINC000923311241 644345966 /nfs/dbraw/zinc/34/59/66/644345966.db2.gz JELRAUQQJFGYMP-XKNYDFJKSA-N 2 0 216.350 0.274 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2Cc3ccccc3C2)C1 ZINC000923311613 644347286 /nfs/dbraw/zinc/34/72/86/644347286.db2.gz QLWGBDDSEGCUMD-AVGNSLFASA-N 2 0 218.300 0.853 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923318883 644347583 /nfs/dbraw/zinc/34/75/83/644347583.db2.gz IROIRJUAXOKAOP-RNJOBUHISA-N 2 0 241.379 0.253 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923330357 644348411 /nfs/dbraw/zinc/34/84/11/644348411.db2.gz CSKWZPSFUATFIK-TUAOUCFPSA-N 3 0 239.363 0.034 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000923330423 644350522 /nfs/dbraw/zinc/35/05/22/644350522.db2.gz FDGUIVMZLUIRRA-NWDGAFQWSA-N 2 0 230.352 0.709 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](C)N1CCC[NH2+]C1CC1 ZINC000923332849 644353649 /nfs/dbraw/zinc/35/36/49/644353649.db2.gz MTIUUYGUQWHLLZ-PHIMTYICSA-N 2 0 211.353 0.811 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000923332465 644355211 /nfs/dbraw/zinc/35/52/11/644355211.db2.gz QFRZHEICDZIKAY-QWRGUYRKSA-N 2 0 211.353 0.798 20 0 BCADRP [NH3+]CCN(CCO)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923333217 644355524 /nfs/dbraw/zinc/35/55/24/644355524.db2.gz ZNZLOJGAYSAUPJ-YHWZYXNKSA-N 2 0 241.379 0.160 20 0 BCADRP CC[N@H+](C[C@@H](O)COC)[C@H]1CCC[NH2+]CC1 ZINC000923336548 644356274 /nfs/dbraw/zinc/35/62/74/644356274.db2.gz UPAGZVHYKBUJSU-NWDGAFQWSA-N 2 0 230.352 0.458 20 0 BCADRP CCOC[C@H](O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000923336169 644357426 /nfs/dbraw/zinc/35/74/26/644357426.db2.gz QXUKSJMTTMFRKX-QWHCGFSZSA-N 2 0 244.379 0.848 20 0 BCADRP CC(C)OC[C@H](O)C[NH2+]CC1([NH3+])CCC1 ZINC000923331917 644360629 /nfs/dbraw/zinc/36/06/29/644360629.db2.gz JIAWJSMJDYZARF-SNVBAGLBSA-N 2 0 216.325 0.243 20 0 BCADRP CC(C)COC[C@H](O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000923347267 644361276 /nfs/dbraw/zinc/36/12/76/644361276.db2.gz XBFXAJLQQXSTRI-GFCCVEGCSA-N 2 0 244.379 0.833 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@H](O)CSC)CC[C@H]1[NH3+] ZINC000923344320 644364743 /nfs/dbraw/zinc/36/47/43/644364743.db2.gz GHMBKYPGYNUVCM-OUAUKWLOSA-N 2 0 232.393 0.770 20 0 BCADRP CCOCC[C@H](O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000923347042 644365403 /nfs/dbraw/zinc/36/54/03/644365403.db2.gz UJOGFZRTZIUILS-NSHDSACASA-N 2 0 230.352 0.587 20 0 BCADRP CCOCC[C@@H](O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000923347041 644365798 /nfs/dbraw/zinc/36/57/98/644365798.db2.gz UJOGFZRTZIUILS-LLVKDONJSA-N 2 0 230.352 0.587 20 0 BCADRP CCOCC[C@@H](O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923357679 644366372 /nfs/dbraw/zinc/36/63/72/644366372.db2.gz ZWCSCAWZYUGUBM-NEPJUHHUSA-N 2 0 230.352 0.445 20 0 BCADRP CCOC[C@@H](O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000923358658 644367862 /nfs/dbraw/zinc/36/78/62/644367862.db2.gz JTYQCOJCIWJRCU-LBPRGKRZSA-N 2 0 242.363 0.459 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1ncccc1C(F)(F)F ZINC000923354417 644369011 /nfs/dbraw/zinc/36/90/11/644369011.db2.gz NDOMPJPSRCQMDB-UHFFFAOYSA-N 2 0 248.252 0.476 20 0 BCADRP COc1ccc(Cl)c(CNC(C[NH3+])C[NH3+])c1 ZINC000923353850 644369114 /nfs/dbraw/zinc/36/91/14/644369114.db2.gz CMOOCALJUSCLFA-UHFFFAOYSA-N 2 0 243.738 0.724 20 0 BCADRP COCc1cccc(CNC(C[NH3+])C[NH3+])c1 ZINC000923359055 644369414 /nfs/dbraw/zinc/36/94/14/644369414.db2.gz KLBVGKCDZIUEEU-UHFFFAOYSA-N 2 0 223.320 0.209 20 0 BCADRP COc1cccc(CCCNC(C[NH3+])C[NH3+])c1 ZINC000923352211 644369497 /nfs/dbraw/zinc/36/94/97/644369497.db2.gz RGCGLMJRQBFSSW-UHFFFAOYSA-N 2 0 237.347 0.503 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923355102 644371472 /nfs/dbraw/zinc/37/14/72/644371472.db2.gz GSSSWCWRQOEIQZ-UWVGGRQHSA-N 2 0 218.366 0.381 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923355101 644372317 /nfs/dbraw/zinc/37/23/17/644372317.db2.gz GSSSWCWRQOEIQZ-NXEZZACHSA-N 2 0 218.366 0.381 20 0 BCADRP CCOCC[C@@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC000923363313 644375281 /nfs/dbraw/zinc/37/52/81/644375281.db2.gz RNSCQGMWABEBLD-VQXHTEKXSA-N 2 0 216.325 0.195 20 0 BCADRP C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923363731 644376486 /nfs/dbraw/zinc/37/64/86/644376486.db2.gz DRUPOWOEFBIWQD-QJPTWQEYSA-N 2 0 212.337 0.831 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000923371085 644383615 /nfs/dbraw/zinc/38/36/15/644383615.db2.gz VLYRKMZVWPUXIQ-NWDGAFQWSA-N 2 0 242.363 0.770 20 0 BCADRP Cc1ccc2ncc(CNC(C[NH3+])C[NH3+])cc2c1 ZINC000923360256 644384363 /nfs/dbraw/zinc/38/43/63/644384363.db2.gz ZIHZDYROMLJQRS-UHFFFAOYSA-N 2 0 244.342 0.919 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923359553 644384728 /nfs/dbraw/zinc/38/47/28/644384728.db2.gz RPHPZVUSJACNKG-RWMBFGLXSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)[C@H](C)C[NH2+]1 ZINC000923362396 644386694 /nfs/dbraw/zinc/38/66/94/644386694.db2.gz SKFRJEWKSKWAPC-IJLUTSLNSA-N 2 0 239.363 0.047 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000923362597 644386806 /nfs/dbraw/zinc/38/68/06/644386806.db2.gz PGRPNCQLTGEQDZ-AVGNSLFASA-N 2 0 242.363 0.315 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCOCC3(CCC3)C2)C1 ZINC000923376645 644391250 /nfs/dbraw/zinc/39/12/50/644391250.db2.gz MRDLCWARBULKQC-SRVKXCTJSA-N 2 0 240.347 0.340 20 0 BCADRP C[C@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCCO1 ZINC000923376691 644391902 /nfs/dbraw/zinc/39/19/02/644391902.db2.gz DSCXEXVNPNQXNV-SDDRHHMPSA-N 2 0 240.347 0.522 20 0 BCADRP C[C@H](O)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000923379735 644392362 /nfs/dbraw/zinc/39/23/62/644392362.db2.gz RPPRJWYXNGENMK-DRZSPHRISA-N 2 0 242.363 0.586 20 0 BCADRP CCc1ncc(C[NH+]2CCC(O)(C[NH3+])CC2)o1 ZINC000923380327 644393231 /nfs/dbraw/zinc/39/32/31/644393231.db2.gz GXHIKZMMMWSFGT-UHFFFAOYSA-N 2 0 239.319 0.523 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923383309 644394873 /nfs/dbraw/zinc/39/48/73/644394873.db2.gz YUJVNMIYLYSINW-QJPTWQEYSA-N 3 0 239.363 0.224 20 0 BCADRP C(C[NH2+]C1CC1)CN1CCC2(CC[NH2+]2)CC1 ZINC000923383341 644396319 /nfs/dbraw/zinc/39/63/19/644396319.db2.gz ZFHSUNUXWCWQKY-UHFFFAOYSA-N 2 0 223.364 0.956 20 0 BCADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000923389928 644396520 /nfs/dbraw/zinc/39/65/20/644396520.db2.gz AGBXOXRNBVBGAS-WOPDTQHZSA-N 2 0 228.336 0.340 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923391891 644398284 /nfs/dbraw/zinc/39/82/84/644398284.db2.gz GHGPJMXBKYQURE-WOPDTQHZSA-N 3 0 239.363 0.177 20 0 BCADRP CN(C[C@@H]1CC2(C[NH2+]C2)CO1)CC(C)(C)[NH3+] ZINC000923386596 644399793 /nfs/dbraw/zinc/39/97/93/644399793.db2.gz PHLMZZPFJMCGND-JTQLQIEISA-N 2 0 227.352 0.034 20 0 BCADRP CCO[C@@H]1C[N@H+](C[C@@H](O)CSC)C[C@H]1C[NH3+] ZINC000923387457 644400418 /nfs/dbraw/zinc/40/04/18/644400418.db2.gz OJFZPLNUQHPXTK-GMTAPVOTSA-N 2 0 248.392 0.006 20 0 BCADRP [NH3+][C@@]12CCC[C@H]1CN(CCC[NH2+]C1CC1)C2 ZINC000923399315 644403747 /nfs/dbraw/zinc/40/37/47/644403747.db2.gz QBEFVJZHHBBCHY-WCQYABFASA-N 2 0 223.364 0.942 20 0 BCADRP COC[C@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923401907 644406617 /nfs/dbraw/zinc/40/66/17/644406617.db2.gz ACVZNBCQJURUEG-VXGBXAGGSA-N 2 0 240.347 0.476 20 0 BCADRP COC[C@@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923401905 644407622 /nfs/dbraw/zinc/40/76/22/644407622.db2.gz ACVZNBCQJURUEG-NWDGAFQWSA-N 2 0 240.347 0.476 20 0 BCADRP OCC[NH2+][C@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000923407317 644409416 /nfs/dbraw/zinc/40/94/16/644409416.db2.gz WEUNUAIIWVEKNO-OLZOCXBDSA-N 2 0 241.379 0.032 20 0 BCADRP CC(C)OCC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923410476 644410336 /nfs/dbraw/zinc/41/03/36/644410336.db2.gz IEQCQAPSAVTTJE-UPJWGTAASA-N 2 0 244.379 0.689 20 0 BCADRP C[C@H]([NH3+])CN(C)C[C@H](O)Cc1ccccc1 ZINC000923410183 644410821 /nfs/dbraw/zinc/41/08/21/644410821.db2.gz KXYAWBDBCHZKOG-WCQYABFASA-N 2 0 222.332 0.869 20 0 BCADRP [NH3+][C@@H]1CC[C@H](CN2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC000923408276 644410850 /nfs/dbraw/zinc/41/08/50/644410850.db2.gz FMZPBFWMBXCGBH-YNEHKIRRSA-N 2 0 241.379 0.160 20 0 BCADRP C[C@H]1CN(CCC[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000923412620 644413829 /nfs/dbraw/zinc/41/38/29/644413829.db2.gz RTAIFHMDNLIRED-WDEREUQCSA-N 2 0 211.353 0.655 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCCCC[C@H]([NH3+])C2)C1 ZINC000923411523 644414117 /nfs/dbraw/zinc/41/41/17/644414117.db2.gz MWFNEBWBHZEOCD-BJDJZHNGSA-N 2 0 227.352 0.040 20 0 BCADRP C[C@@H]1CN(CCC[NH2+]C2CC2)C[C@@H]1C[NH3+] ZINC000923412617 644414274 /nfs/dbraw/zinc/41/42/74/644414274.db2.gz RTAIFHMDNLIRED-MNOVXSKESA-N 2 0 211.353 0.655 20 0 BCADRP C[C@@H](O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000923411972 644415109 /nfs/dbraw/zinc/41/51/09/644415109.db2.gz VEHXCHLFIIZYMO-DGCLKSJQSA-N 2 0 242.363 0.458 20 0 BCADRP CSC[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923421905 644416524 /nfs/dbraw/zinc/41/65/24/644416524.db2.gz PEFIGNNRHFUZTA-HLTSFMKQSA-N 2 0 218.366 0.426 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CC[NH2+]CCC1(C)C ZINC000923413854 644416957 /nfs/dbraw/zinc/41/69/57/644416957.db2.gz IVUVMCWTZRPTIK-JTQLQIEISA-N 2 0 232.393 0.784 20 0 BCADRP CCOCC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923414040 644417064 /nfs/dbraw/zinc/41/70/64/644417064.db2.gz YYTWHWKJODGYAI-UTUOFQBUSA-N 2 0 230.352 0.301 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H]3CSC[C@H]3C2)C1 ZINC000923413357 644417336 /nfs/dbraw/zinc/41/73/36/644417336.db2.gz FLZUREKSSDQJJN-GCHJQGSQSA-N 2 0 242.388 0.522 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923422367 644418379 /nfs/dbraw/zinc/41/83/79/644418379.db2.gz QMELLYIFTLZILA-HBNTYKKESA-N 3 0 239.363 0.080 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)C1 ZINC000923426081 644420303 /nfs/dbraw/zinc/42/03/03/644420303.db2.gz CDHRQXUALQBEFV-VLJOUNFMSA-N 2 0 240.347 0.338 20 0 BCADRP CCN(C[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CC[NH2+]C1 ZINC000923427074 644421672 /nfs/dbraw/zinc/42/16/72/644421672.db2.gz XZCVMZMTQZVYFN-NWDGAFQWSA-N 2 0 239.363 0.049 20 0 BCADRP CCCCOC[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000923419475 644423470 /nfs/dbraw/zinc/42/34/70/644423470.db2.gz APPFANBUKVWOSJ-WOPDTQHZSA-N 2 0 244.379 0.879 20 0 BCADRP C[C@H](O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923438657 644431296 /nfs/dbraw/zinc/43/12/96/644431296.db2.gz BFLHGRPIBMTXOE-QWRGUYRKSA-N 2 0 228.336 0.197 20 0 BCADRP COC[C@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923447099 644432116 /nfs/dbraw/zinc/43/21/16/644432116.db2.gz PYQUHICIBAQXTC-NWDGAFQWSA-N 2 0 242.363 0.851 20 0 BCADRP CC[C@H](O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923443044 644434707 /nfs/dbraw/zinc/43/47/07/644434707.db2.gz RXBDSYVDGOXADN-RYUDHWBXSA-N 2 0 242.363 0.587 20 0 BCADRP Cc1cc(CN2CC[NH2+]CC[NH2+]CC2)c(C)nn1 ZINC000923459775 644435053 /nfs/dbraw/zinc/43/50/53/644435053.db2.gz FWNQZDHJZBBCCW-UHFFFAOYSA-N 2 0 249.362 0.088 20 0 BCADRP C[NH2+]CCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451988 644441904 /nfs/dbraw/zinc/44/19/04/644441904.db2.gz RPQUPDZVFIASNW-GFCCVEGCSA-N 3 0 241.379 0.426 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000085975904 644453346 /nfs/dbraw/zinc/45/33/46/644453346.db2.gz PMPXRURBOLOECU-MXWKQRLJSA-N 2 0 225.336 0.419 20 0 BCADRP [NH3+]CC[C@@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000923478375 644455466 /nfs/dbraw/zinc/45/54/66/644455466.db2.gz BCLHWBQBPMTZTI-VWYCJHECSA-N 2 0 215.316 0.357 20 0 BCADRP [NH3+][C@@]1(CO)CCCN(CCC2CC[NH2+]CC2)C1 ZINC000923472791 644455774 /nfs/dbraw/zinc/45/57/74/644455774.db2.gz NCRHLMRISZKWKX-ZDUSSCGKSA-N 2 0 241.379 0.162 20 0 BCADRP [NH3+][C@]1(CO)CCCN(CCC2CC[NH2+]CC2)C1 ZINC000923472790 644456763 /nfs/dbraw/zinc/45/67/63/644456763.db2.gz NCRHLMRISZKWKX-CYBMUJFWSA-N 2 0 241.379 0.162 20 0 BCADRP C[C@H](CN1CCOCC1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923481951 644459390 /nfs/dbraw/zinc/45/93/90/644459390.db2.gz VPIWIZGAHIGXDP-OLZOCXBDSA-N 2 0 241.379 0.378 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](CCOC(F)F)C1 ZINC000923480419 644460416 /nfs/dbraw/zinc/46/04/16/644460416.db2.gz YFOLHJJLZARRCV-MRVPVSSYSA-N 2 0 208.252 0.896 20 0 BCADRP CCCOC(=O)[C@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923485155 644462562 /nfs/dbraw/zinc/46/25/62/644462562.db2.gz PIEXMPDSNJDYDG-QWRGUYRKSA-N 2 0 228.336 0.999 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923490165 644464817 /nfs/dbraw/zinc/46/48/17/644464817.db2.gz BONITBKQWNDHAT-QJPTWQEYSA-N 2 0 230.352 0.301 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923490163 644465777 /nfs/dbraw/zinc/46/57/77/644465777.db2.gz BONITBKQWNDHAT-IJLUTSLNSA-N 2 0 230.352 0.301 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)CC[C@H]1C[NH3+] ZINC000923491515 644466956 /nfs/dbraw/zinc/46/69/56/644466956.db2.gz SNVDKYVNHNARGU-WOPDTQHZSA-N 2 0 249.362 0.682 20 0 BCADRP C[C@H]1C[N@H+](Cc2cnns2)CC[C@@H]1C[NH3+] ZINC000923492809 644467327 /nfs/dbraw/zinc/46/73/27/644467327.db2.gz OZQNMTFRJTUYRI-DTWKUNHWSA-N 2 0 226.349 0.955 20 0 BCADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]2)CC[C@H]1C[NH3+] ZINC000923494081 644471197 /nfs/dbraw/zinc/47/11/97/644471197.db2.gz VQJHIIGQAYUIEF-GRYCIOLGSA-N 2 0 211.353 0.655 20 0 BCADRP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499064 644472504 /nfs/dbraw/zinc/47/25/04/644472504.db2.gz QSHIJIOCGHVUFY-MXWKQRLJSA-N 2 0 227.352 0.380 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000923499848 644473053 /nfs/dbraw/zinc/47/30/53/644473053.db2.gz MMDINTJWVPOXNK-IJLUTSLNSA-N 3 0 211.353 0.513 20 0 BCADRP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923497757 644473311 /nfs/dbraw/zinc/47/33/11/644473311.db2.gz DLAXMOLLGSCWRP-GRYCIOLGSA-N 2 0 241.379 0.818 20 0 BCADRP CN(C(=O)CCCCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000187177390 644473893 /nfs/dbraw/zinc/47/38/93/644473893.db2.gz ZYENZDFGIHDHDA-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP C[C@H]1C[N@H+](Cc2ccn(C)c(=O)c2)CC[C@@H]1C[NH3+] ZINC000923500420 644474127 /nfs/dbraw/zinc/47/41/27/644474127.db2.gz QEJADYRRPILGAG-WCQYABFASA-N 2 0 249.358 0.802 20 0 BCADRP NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923505812 644476214 /nfs/dbraw/zinc/47/62/14/644476214.db2.gz COOZUTUNFKKMSQ-LLVKDONJSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923503640 644478271 /nfs/dbraw/zinc/47/82/71/644478271.db2.gz KCJABFVUZANYCJ-MXWKQRLJSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)OC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515572 644479457 /nfs/dbraw/zinc/47/94/57/644479457.db2.gz HIXSFIIFNBQTNU-YNEHKIRRSA-N 2 0 242.363 0.314 20 0 BCADRP C([C@@H]1CCOC1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518973 644483980 /nfs/dbraw/zinc/48/39/80/644483980.db2.gz HZQNJMXQJOVHJP-SDDRHHMPSA-N 2 0 210.321 0.564 20 0 BCADRP COCC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518453 644483983 /nfs/dbraw/zinc/48/39/83/644483983.db2.gz KCATURGNQMJNIG-GRYCIOLGSA-N 2 0 212.337 0.953 20 0 BCADRP OC[C@@H]1CCCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000923531072 644486915 /nfs/dbraw/zinc/48/69/15/644486915.db2.gz ORFPBINDPORBMO-RYUDHWBXSA-N 2 0 212.337 0.833 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCCCC[C@H]1CO ZINC000923531853 644489330 /nfs/dbraw/zinc/48/93/30/644489330.db2.gz WPWJUISFWVJKSF-NSHDSACASA-N 2 0 216.325 0.199 20 0 BCADRP COC[C@@H]1COCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000923558333 644498958 /nfs/dbraw/zinc/49/89/58/644498958.db2.gz QWRBEGCPAYJRBX-QWHCGFSZSA-N 2 0 242.363 0.723 20 0 BCADRP O=C(C[C@@H]1CC[NH2+]C1)NCC[NH+]1CCCCC1 ZINC000089747323 644564092 /nfs/dbraw/zinc/56/40/92/644564092.db2.gz ZWDCZRHJYIRJBW-LBPRGKRZSA-N 2 0 239.363 0.588 20 0 BCADRP [NH3+]CC1(NC(=O)C[NH2+]CC2CC2)CCCCC1 ZINC000639000992 644586526 /nfs/dbraw/zinc/58/65/26/644586526.db2.gz DPNAOTXOAXVPQC-UHFFFAOYSA-N 2 0 239.363 0.764 20 0 BCADRP C[N@H+](CC(=O)N1CCCC1)C1CCC([NH3+])CC1 ZINC000091846465 644642215 /nfs/dbraw/zinc/64/22/15/644642215.db2.gz YTDVXKAJPWRFMX-UHFFFAOYSA-N 2 0 239.363 0.811 20 0 BCADRP CN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250561688 644764711 /nfs/dbraw/zinc/76/47/11/644764711.db2.gz COJMUPZLSYQHLP-SDDRHHMPSA-N 2 0 211.353 0.798 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250568505 644765455 /nfs/dbraw/zinc/76/54/55/644765455.db2.gz HFNDKUBMEPMVOU-SDDRHHMPSA-N 2 0 239.363 0.713 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251514589 644807937 /nfs/dbraw/zinc/80/79/37/644807937.db2.gz ITYHMKRSPRLNGQ-GARJFASQSA-N 2 0 216.325 0.053 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251514591 644808214 /nfs/dbraw/zinc/80/82/14/644808214.db2.gz ITYHMKRSPRLNGQ-HBNTYKKESA-N 2 0 216.325 0.053 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@@H](O)COC)CC[C@H]1[NH3+] ZINC000251572141 644810267 /nfs/dbraw/zinc/81/02/67/644810267.db2.gz BXYXYMQGJFHTTF-GMTAPVOTSA-N 2 0 216.325 0.053 20 0 BCADRP C[C@H]1C[N@H+](CC(=O)N(C)C2CC2)CC[C@H]1C[NH3+] ZINC000251566827 644810848 /nfs/dbraw/zinc/81/08/48/644810848.db2.gz BVRNVUKXYYMBLF-QWRGUYRKSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)CC[C@H]1C[NH3+] ZINC000251736969 644818036 /nfs/dbraw/zinc/81/80/36/644818036.db2.gz KQKFVCSHRANLGP-PWSUYJOCSA-N 2 0 239.363 0.429 20 0 BCADRP CC[C@H]1C(=O)NCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251790762 644822063 /nfs/dbraw/zinc/82/20/63/644822063.db2.gz XKOXPDMWRJYQNW-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000251909552 644829778 /nfs/dbraw/zinc/82/97/78/644829778.db2.gz XPFMTWQDJAVALZ-VWYCJHECSA-N 2 0 200.326 0.817 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000304319140 644889380 /nfs/dbraw/zinc/88/93/80/644889380.db2.gz FJUDOZLTSLURBV-ONGXEEELSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000304319136 644889894 /nfs/dbraw/zinc/88/98/94/644889894.db2.gz FJUDOZLTSLURBV-KOLCDFICSA-N 2 0 227.352 0.570 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000304378266 644897917 /nfs/dbraw/zinc/89/79/17/644897917.db2.gz PZZTZWDUXCWODH-NSHDSACASA-N 2 0 225.336 0.278 20 0 BCADRP C[C@@H](CNC1=[NH+]CCN1C)C[NH+]1CCCC1 ZINC000304498002 644911298 /nfs/dbraw/zinc/91/12/98/644911298.db2.gz DOUVYKCTMTTYJH-NSHDSACASA-N 2 0 224.352 0.609 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000648180954 644913254 /nfs/dbraw/zinc/91/32/54/644913254.db2.gz VDIHIPOXJLRWDN-MNOVXSKESA-N 2 0 237.347 0.529 20 0 BCADRP CC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252839601 644913921 /nfs/dbraw/zinc/91/39/21/644913921.db2.gz BBDCPNNEIAGCOL-FIQHERPVSA-N 2 0 212.337 0.817 20 0 BCADRP C[C@@H](CNC1=[NH+]C[C@@H](C)N1)[NH+]1CCCCC1 ZINC000304622380 644921598 /nfs/dbraw/zinc/92/15/98/644921598.db2.gz XSQPGINKNFNGEP-MNOVXSKESA-N 2 0 224.352 0.798 20 0 BCADRP C[C@H](CNC1=[NH+]C[C@H](C)N1)C[NH+]1CCCC1 ZINC000304636123 644923842 /nfs/dbraw/zinc/92/38/42/644923842.db2.gz ZZVMSLQJMUXLDP-MNOVXSKESA-N 2 0 224.352 0.656 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)C[C@H](C)[NH2+]1 ZINC000841855087 645230812 /nfs/dbraw/zinc/23/08/12/645230812.db2.gz LTVMRFVTUGAFJP-NGZCFLSTSA-N 2 0 225.336 0.323 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)C[NH3+] ZINC000841856518 645231206 /nfs/dbraw/zinc/23/12/06/645231206.db2.gz RCPUWSHRBXDPAH-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP [NH3+]CCN(CCO)CCCC1CC[NH2+]CC1 ZINC000843367438 645286212 /nfs/dbraw/zinc/28/62/12/645286212.db2.gz HLGOMPLUYDUGMT-UHFFFAOYSA-N 2 0 229.368 0.019 20 0 BCADRP [NH3+]CCCCCCCN1CCO[C@H](C[NH3+])C1 ZINC000843369232 645286482 /nfs/dbraw/zinc/28/64/82/645286482.db2.gz HGLXPCBCLQGZGD-GFCCVEGCSA-N 2 0 229.368 0.555 20 0 BCADRP CC[C@@](C)(CC(=O)OC)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000843390102 645288267 /nfs/dbraw/zinc/28/82/67/645288267.db2.gz KOGBPFMDMVJTDC-PWSUYJOCSA-N 2 0 228.336 0.917 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000843507283 645292769 /nfs/dbraw/zinc/29/27/69/645292769.db2.gz LLPLFGJQJHDHEF-BBBLOLIVSA-N 2 0 213.325 0.228 20 0 BCADRP CC[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000844187064 645315736 /nfs/dbraw/zinc/31/57/36/645315736.db2.gz CGNVUGVGRAOJKN-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP CC[NH2+]CC(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000844186970 645316152 /nfs/dbraw/zinc/31/61/52/645316152.db2.gz DCDBQURKBPROTH-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C[NH2+]CC)C1 ZINC000844188636 645316465 /nfs/dbraw/zinc/31/64/65/645316465.db2.gz XZZOCPBSCITCGN-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@H](CC[NH+](C)C)OCC ZINC000844188761 645317467 /nfs/dbraw/zinc/31/74/67/645317467.db2.gz BKLAZXNSYYWMFA-LLVKDONJSA-N 2 0 245.367 0.069 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2C(=O)NCC2(C)C)C1 ZINC000926666336 645345821 /nfs/dbraw/zinc/34/58/21/645345821.db2.gz SOHSBPLTUBZVMH-OUAUKWLOSA-N 2 0 239.363 0.441 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@@H](CO)C1 ZINC000926779524 645428240 /nfs/dbraw/zinc/42/82/40/645428240.db2.gz TZVHOZCTUCETGA-ZSLJRAHMSA-N 2 0 224.348 0.687 20 0 BCADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925488306 645508349 /nfs/dbraw/zinc/50/83/49/645508349.db2.gz RHBZHZULNJFUPY-WDEREUQCSA-N 2 0 209.337 0.565 20 0 BCADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925488694 645519510 /nfs/dbraw/zinc/51/95/10/645519510.db2.gz VFKPCRZOIHPIDY-NWDGAFQWSA-N 2 0 223.364 0.955 20 0 BCADRP C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000928428235 645741998 /nfs/dbraw/zinc/74/19/98/645741998.db2.gz VUVVBODZGLHZGS-ZYHUDNBSSA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000928425119 645742724 /nfs/dbraw/zinc/74/27/24/645742724.db2.gz HBSOCWRSQABMFL-MXWKQRLJSA-N 2 0 227.352 0.535 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1C)[NH+](C)C ZINC000928425114 645742941 /nfs/dbraw/zinc/74/29/41/645742941.db2.gz HBSOCWRSQABMFL-GARJFASQSA-N 2 0 227.352 0.535 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)[NH+](C)C ZINC000928436442 645756783 /nfs/dbraw/zinc/75/67/83/645756783.db2.gz GCJIPUCYEWADAZ-TUAOUCFPSA-N 2 0 241.379 0.781 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000877049679 645788655 /nfs/dbraw/zinc/78/86/55/645788655.db2.gz CZSRGSRQCOUDQY-YWVKMMECSA-N 2 0 225.336 0.384 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000877049676 645788911 /nfs/dbraw/zinc/78/89/11/645788911.db2.gz CZSRGSRQCOUDQY-FXPVBKGRSA-N 2 0 225.336 0.384 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C[C@H]([NH3+])C1CC1)C2 ZINC000877373538 645792333 /nfs/dbraw/zinc/79/23/33/645792333.db2.gz BMJBNQMTUQBUBQ-GMXVVIOVSA-N 2 0 237.347 0.182 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877372631 645792486 /nfs/dbraw/zinc/79/24/86/645792486.db2.gz LVRGOHJUJAYRHF-CMPLNLGQSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C1=CC[C@@H]([NH3+])C1)C2 ZINC000877372235 645794353 /nfs/dbraw/zinc/79/43/53/645794353.db2.gz YYFOBSHREBOECZ-DMDPSCGWSA-N 2 0 235.331 0.102 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884269489 645871589 /nfs/dbraw/zinc/87/15/89/645871589.db2.gz PCMRLXYTUPKPIC-FBIMIBRVSA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H](C)C[NH3+] ZINC000884269752 645871847 /nfs/dbraw/zinc/87/18/47/645871847.db2.gz WRTLUNSAVCSUSC-IUCAKERBSA-N 2 0 215.341 0.459 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC1(C)CC[NH2+]CC1 ZINC000884270811 645873269 /nfs/dbraw/zinc/87/32/69/645873269.db2.gz RTTFSDMVKQIBRD-NSHDSACASA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@@]23CCOC3)C[C@H]1[NH3+] ZINC000886839328 645890966 /nfs/dbraw/zinc/89/09/66/645890966.db2.gz BTFCQHUGECWZMX-WRWGMCAJSA-N 2 0 210.321 0.692 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CO[C@H](C)[C@@H]1C ZINC000924653492 646086262 /nfs/dbraw/zinc/08/62/62/646086262.db2.gz KMURJENCADRKFM-YNEHKIRRSA-N 2 0 244.379 0.968 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@H](C)C(C)(C)CO ZINC000924657949 646086942 /nfs/dbraw/zinc/08/69/42/646086942.db2.gz XPGZGBFWQVGVAL-GFCCVEGCSA-N 2 0 246.395 0.951 20 0 BCADRP CC[NH+](CC)C[C@@H](C)N[C@H]1C[NH2+]CCOC1 ZINC000925485394 646296617 /nfs/dbraw/zinc/29/66/17/646296617.db2.gz BWMFEYJIAREFNY-NEPJUHHUSA-N 2 0 229.368 0.295 20 0 BCADRP COCCOCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925519261 646312604 /nfs/dbraw/zinc/31/26/04/646312604.db2.gz LBLAZNITTCGZGK-LBPRGKRZSA-N 2 0 242.363 0.914 20 0 BCADRP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CCOC2)C[N@@H+]1C1CC1 ZINC000925543595 646324167 /nfs/dbraw/zinc/32/41/67/646324167.db2.gz VNFLTJAEJNHVBV-UTUOFQBUSA-N 2 0 239.363 0.190 20 0 BCADRP C[C@@H]1CCC[N@H+](CCN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925550388 646326203 /nfs/dbraw/zinc/32/62/03/646326203.db2.gz LUDUNSGZYZGCBZ-CHWSQXEVSA-N 2 0 241.379 0.296 20 0 BCADRP C[C@@H](CCCO)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925548654 646326685 /nfs/dbraw/zinc/32/66/85/646326685.db2.gz HJJWQEKUOQMHHG-UWVGGRQHSA-N 2 0 200.326 0.878 20 0 BCADRP CC1CC[NH+](CCN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925547390 646327096 /nfs/dbraw/zinc/32/70/96/646327096.db2.gz OGFGSQDUQNWXRP-ZDUSSCGKSA-N 2 0 241.379 0.296 20 0 BCADRP C[C@H](CCCO)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925548658 646327440 /nfs/dbraw/zinc/32/74/40/646327440.db2.gz HJJWQEKUOQMHHG-ZJUUUORDSA-N 2 0 200.326 0.878 20 0 BCADRP COCC[N@H+](C)CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925578287 646345481 /nfs/dbraw/zinc/34/54/81/646345481.db2.gz UMFZHWZZTDZGGR-LBPRGKRZSA-N 2 0 241.379 0.439 20 0 BCADRP CC[C@H](C)[N@H+](C)CCN[C@H]1C[NH2+]CCOC1 ZINC000925577617 646345412 /nfs/dbraw/zinc/34/54/12/646345412.db2.gz PCIJZQWENFLLFR-RYUDHWBXSA-N 2 0 229.368 0.295 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCn2cncn2)C1 ZINC000925591027 646349647 /nfs/dbraw/zinc/34/96/47/646349647.db2.gz XOFFBMFYVWUVRV-WDEREUQCSA-N 2 0 237.351 0.774 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCn1cncn1 ZINC000925590396 646349657 /nfs/dbraw/zinc/34/96/57/646349657.db2.gz QAXUXNRNHPBRLY-ZYANWLCNSA-N 2 0 235.335 0.384 20 0 BCADRP CC(C)[C@@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925622843 646369621 /nfs/dbraw/zinc/36/96/21/646369621.db2.gz NHVIDTQAYBIAKH-GMTAPVOTSA-N 2 0 212.337 0.863 20 0 BCADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925628963 646374094 /nfs/dbraw/zinc/37/40/94/646374094.db2.gz IFIQYFAIUYBFHG-BBBLOLIVSA-N 2 0 200.326 0.863 20 0 BCADRP CCN(C)C(=O)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925647608 646386453 /nfs/dbraw/zinc/38/64/53/646386453.db2.gz ZAPBPUYBBBTPPP-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1C[NH2+]CCOC1 ZINC000925668034 646397706 /nfs/dbraw/zinc/39/77/06/646397706.db2.gz FNVZOEOTTCJIPJ-VXGBXAGGSA-N 2 0 229.368 0.293 20 0 BCADRP C[C@@H](C[NH+](C)C)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925670860 646400122 /nfs/dbraw/zinc/40/01/22/646400122.db2.gz AFFVAOMRPGSFTH-AXFHLTTASA-N 2 0 211.353 0.796 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925672749 646402175 /nfs/dbraw/zinc/40/21/75/646402175.db2.gz XJYUHJBBZSEGFL-STQMWFEESA-N 2 0 241.379 0.439 20 0 BCADRP C[C@H](CCCCO)[NH2+][C@@H]1CNCCOC1 ZINC000925677928 646406955 /nfs/dbraw/zinc/40/69/55/646406955.db2.gz ASQLFMOBFOHTRX-GHMZBOCLSA-N 2 0 216.325 0.116 20 0 BCADRP O=C1C[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CN1 ZINC000925684464 646411718 /nfs/dbraw/zinc/41/17/18/646411718.db2.gz BIMRMXAFMHNRNW-GHMZBOCLSA-N 2 0 237.347 0.387 20 0 BCADRP [NH3+]C1(CN[C@@H]2C[NH2+]CCOC2)CCCCC1 ZINC000925687831 646415040 /nfs/dbraw/zinc/41/50/40/646415040.db2.gz BIMNCPXUIQKJOD-LLVKDONJSA-N 2 0 227.352 0.226 20 0 BCADRP Cc1nccn1CCC[N@@H+](C)C[C@@H](O)[C@@H](C)O ZINC000930060592 646414999 /nfs/dbraw/zinc/41/49/99/646414999.db2.gz MRSANTBWVXXTGZ-ZYHUDNBSSA-N 2 0 241.335 0.255 20 0 BCADRP C1[NH2+][C@@H]2[C@H](NC3CC[NH2+]CC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000925689667 646415303 /nfs/dbraw/zinc/41/53/03/646415303.db2.gz HVRRFIXGYFJEFY-MNSQCTGESA-N 2 0 221.348 0.324 20 0 BCADRP CC[NH2+]CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925694237 646419493 /nfs/dbraw/zinc/41/94/93/646419493.db2.gz RJCBRWIBWWKDEG-GRYCIOLGSA-N 2 0 225.380 0.962 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[NH2+]C1 ZINC000925694402 646419973 /nfs/dbraw/zinc/41/99/73/646419973.db2.gz UDZHUHRPAQARAD-TZMBILIQSA-N 3 0 209.337 0.454 20 0 BCADRP [NH3+]CCc1ccc(CN[C@H]2C[NH2+]CCOC2)cc1 ZINC000925696286 646421097 /nfs/dbraw/zinc/42/10/97/646421097.db2.gz YZFRNHYBXUKTHY-AWEZNQCLSA-N 2 0 249.358 0.266 20 0 BCADRP COCC[NH2+]CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925697522 646421730 /nfs/dbraw/zinc/42/17/30/646421730.db2.gz GCMQQMRFQRQPCV-NSHDSACASA-N 2 0 227.352 0.097 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1N[C@H]1CCC[NH2+][C@H]1C ZINC000925698562 646423085 /nfs/dbraw/zinc/42/30/85/646423085.db2.gz FYUXOYRUDBGRPD-BKUVIOGVSA-N 2 0 211.353 0.857 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000925700315 646423097 /nfs/dbraw/zinc/42/30/97/646423097.db2.gz PGGYVPHIBDKPCF-VWYCJHECSA-N 2 0 211.353 0.986 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925699213 646423295 /nfs/dbraw/zinc/42/32/95/646423295.db2.gz JDVWNSIXHXMBGL-FIQHERPVSA-N 2 0 223.364 0.986 20 0 BCADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CCC[NH2+]C1)[NH2+]2 ZINC000925700209 646423628 /nfs/dbraw/zinc/42/36/28/646423628.db2.gz NQQPCDDRZNTCEB-YYHQMBLXSA-N 2 0 223.364 0.857 20 0 BCADRP C[C@@H]([NH3+])[C@H](NCC1C[NH2+]C1)c1ccccc1 ZINC000925700596 646425072 /nfs/dbraw/zinc/42/50/72/646425072.db2.gz VQZYKXMWBNDUKJ-MFKMUULPSA-N 2 0 219.332 0.884 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925702639 646427298 /nfs/dbraw/zinc/42/72/98/646427298.db2.gz QAQFVQDOJFLUIF-GALFJALPSA-N 3 0 249.402 0.913 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1C[NH2+]CCCO1 ZINC000925710771 646433964 /nfs/dbraw/zinc/43/39/64/646433964.db2.gz QSBZFFXPKAMKFE-SDDRHHMPSA-N 2 0 227.352 0.095 20 0 BCADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cnnn1C ZINC000925710118 646434615 /nfs/dbraw/zinc/43/46/15/646434615.db2.gz WITNMNHLEPHJLU-SNVBAGLBSA-N 2 0 235.335 0.728 20 0 BCADRP C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C12CC(C1)C[NH2+]2 ZINC000925717700 646443340 /nfs/dbraw/zinc/44/33/40/646443340.db2.gz WNUAREPWKZCNPW-ZRFAVCCESA-N 2 0 233.359 0.324 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925719452 646443674 /nfs/dbraw/zinc/44/36/74/646443674.db2.gz RXWQCCABKFGXKL-NURVWSNCSA-N 3 0 239.363 0.079 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C1 ZINC000925719498 646444755 /nfs/dbraw/zinc/44/47/55/646444755.db2.gz OCGBBFHRINNCLM-GWOFURMSSA-N 2 0 239.363 0.746 20 0 BCADRP C[C@H]([NH3+])[C@@H](NC[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000925720534 646446312 /nfs/dbraw/zinc/44/63/12/646446312.db2.gz YPZHMJPVBHWXDH-FPMFFAJLSA-N 2 0 249.358 0.653 20 0 BCADRP C1CC2(C1)[NH2+]CC[C@@H]2N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925722770 646448393 /nfs/dbraw/zinc/44/83/93/646448393.db2.gz LFNCZYYDQRPOJV-XNBXPENISA-N 2 0 247.386 0.857 20 0 BCADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CNCCOC2)CC1 ZINC000925726652 646451372 /nfs/dbraw/zinc/45/13/72/646451372.db2.gz VMLNLWXUHZEHPS-SRVKXCTJSA-N 2 0 227.352 0.082 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000925729027 646454567 /nfs/dbraw/zinc/45/45/67/646454567.db2.gz OCGBBFHRINNCLM-VGRIYTJTSA-N 2 0 239.363 0.746 20 0 BCADRP CC(C)([NH3+])CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925738392 646460162 /nfs/dbraw/zinc/46/01/62/646460162.db2.gz TUFVGSBDKDCUAL-ZJUUUORDSA-N 2 0 211.353 0.973 20 0 BCADRP CCC1([NH3+])CCN([C@@H]2C[NH2+]CCOC2)CC1 ZINC000925760201 646466868 /nfs/dbraw/zinc/46/68/68/646466868.db2.gz LKDATANHRNMYRQ-LLVKDONJSA-N 2 0 227.352 0.178 20 0 BCADRP Nc1cc[nH+]c(CN[C@H]2CCC[C@H]2[NH3+])c1 ZINC000925765780 646466890 /nfs/dbraw/zinc/46/68/90/646466890.db2.gz FHFWPGLLORQFSN-MNOVXSKESA-N 2 0 206.293 0.633 20 0 BCADRP [NH3+]C1CCC([NH2+][C@@H](CO)C[C@@H]2CCCO2)CC1 ZINC000925767472 646468209 /nfs/dbraw/zinc/46/82/09/646468209.db2.gz PMSOAEARPJXYTA-TUUUFIMRSA-N 2 0 242.363 0.776 20 0 BCADRP C[C@H](N[C@@H](CO)C[C@H]1CCCO1)[C@H]1CCC[NH2+]1 ZINC000925767084 646468582 /nfs/dbraw/zinc/46/85/82/646468582.db2.gz MIDIEEFMMYDYOQ-UMSGYPCISA-N 2 0 242.363 0.647 20 0 BCADRP C[C@H](N[C@H](CO)C[C@@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000925767079 646468650 /nfs/dbraw/zinc/46/86/50/646468650.db2.gz MIDIEEFMMYDYOQ-CYDGBPFRSA-N 2 0 242.363 0.647 20 0 BCADRP [NH3+]C1CCC([NH2+][C@@H](CO)C[C@H]2CCCO2)CC1 ZINC000925767470 646469265 /nfs/dbraw/zinc/46/92/65/646469265.db2.gz PMSOAEARPJXYTA-FIYWTHMPSA-N 2 0 242.363 0.776 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000925771201 646470174 /nfs/dbraw/zinc/47/01/74/646470174.db2.gz NAJDLRIAPUBEAI-NHCYSSNCSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925774510 646472150 /nfs/dbraw/zinc/47/21/50/646472150.db2.gz AWXBEBFOXPPZCS-DCAQKATOSA-N 2 0 247.333 0.961 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1C[NH2+]CCC1(F)F ZINC000925775599 646474470 /nfs/dbraw/zinc/47/44/70/646474470.db2.gz HSETXCCOLIKIGD-MXWKQRLJSA-N 2 0 247.333 0.819 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925775441 646475124 /nfs/dbraw/zinc/47/51/24/646475124.db2.gz GSQCQIPBGQLRHA-DCAQKATOSA-N 2 0 247.333 0.948 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC[C@H]1C[NH2+]CCC1(F)F ZINC000925776890 646476132 /nfs/dbraw/zinc/47/61/32/646476132.db2.gz NKYSOKHIFBRRCB-ZJUUUORDSA-N 2 0 247.333 0.961 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925780522 646476757 /nfs/dbraw/zinc/47/67/57/646476757.db2.gz RJCGHBQHDFKCSN-KVSVUVNWSA-N 2 0 237.391 0.961 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1nnc2ccccn21 ZINC000925779833 646478005 /nfs/dbraw/zinc/47/80/05/646478005.db2.gz MXWRVWNLOXLMOR-GHMZBOCLSA-N 2 0 247.346 0.987 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H]1C[NH2+]CCC1(F)F ZINC000925782085 646478689 /nfs/dbraw/zinc/47/86/89/646478689.db2.gz KUNALTQOHUVQLB-MXWKQRLJSA-N 2 0 247.333 0.771 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000925782295 646478870 /nfs/dbraw/zinc/47/88/70/646478870.db2.gz FEAGFRXGGMRQRJ-DDHJBXDOSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000925782219 646479596 /nfs/dbraw/zinc/47/95/96/646479596.db2.gz ISHVVKJPPCSIPZ-NOOOWODRSA-N 2 0 211.353 0.667 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925784579 646481883 /nfs/dbraw/zinc/48/18/83/646481883.db2.gz HLUZCXJIMAHACF-VWYCJHECSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000925786838 646483361 /nfs/dbraw/zinc/48/33/61/646483361.db2.gz VTSYPAGIHFXDBH-WISYIIOYSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000925788057 646483532 /nfs/dbraw/zinc/48/35/32/646483532.db2.gz XWPWESBMNLIBPZ-FVCCEPFGSA-N 2 0 225.380 0.820 20 0 BCADRP [NH3+]C1CCN(CC[NH2+]C2CCSCC2)CC1 ZINC000925809018 646490121 /nfs/dbraw/zinc/49/01/21/646490121.db2.gz GWXPCJBCRRHBMZ-UHFFFAOYSA-N 2 0 243.420 0.895 20 0 BCADRP CC[C@H](COC)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925809543 646490625 /nfs/dbraw/zinc/49/06/25/646490625.db2.gz KLQNPQKREBPTAA-GFCCVEGCSA-N 2 0 229.368 0.424 20 0 BCADRP C[C@H](NCc1cc(N(C)C)cc[nH+]1)C1C[NH2+]C1 ZINC000925814062 646490635 /nfs/dbraw/zinc/49/06/35/646490635.db2.gz XXSASPLXZHETGC-JTQLQIEISA-N 2 0 234.347 0.845 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)[C@H](C)O1 ZINC000925816817 646491542 /nfs/dbraw/zinc/49/15/42/646491542.db2.gz JNLUAUFNRZGSEG-NTZNESFSSA-N 2 0 241.379 0.565 20 0 BCADRP [NH3+]C1CCN(CC[NH2+][C@H]2CCCSC2)CC1 ZINC000925816417 646492229 /nfs/dbraw/zinc/49/22/29/646492229.db2.gz XSJMCTLMSUXJMU-LBPRGKRZSA-N 2 0 243.420 0.895 20 0 BCADRP C1=C[C@@H](C[NH2+][C@@H]2CC[NH2+]C2)[C@H]2CO[C@@H]1C2 ZINC000925832729 646500946 /nfs/dbraw/zinc/50/09/46/646500946.db2.gz SOBBRUHZZYBVDF-QCNOEVLYSA-N 2 0 208.305 0.529 20 0 BCADRP CCO[C@H](CN[C@@H]1CCC[NH2+]CC1)C[NH+](C)C ZINC000925838274 646504192 /nfs/dbraw/zinc/50/41/92/646504192.db2.gz KYADGUOGAQERBJ-CHWSQXEVSA-N 2 0 243.395 0.685 20 0 BCADRP CCO[C@H](CN[C@@H]1CC[NH2+]C1(C)C)C[NH+](C)C ZINC000925838797 646505325 /nfs/dbraw/zinc/50/53/25/646505325.db2.gz OBKPUSLXDJCGJW-VXGBXAGGSA-N 2 0 243.395 0.683 20 0 BCADRP CCO[C@@H](CN[C@@H](C)C1C[NH2+]C1)C[NH+](C)C ZINC000925841412 646507949 /nfs/dbraw/zinc/50/79/49/646507949.db2.gz QXSPBOLMGLFVMZ-JQWIXIFHSA-N 2 0 229.368 0.151 20 0 BCADRP CC(C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925854656 646511369 /nfs/dbraw/zinc/51/13/69/646511369.db2.gz SDBBDTMKOGDFSS-SNVBAGLBSA-N 2 0 226.320 0.670 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CNOC2)C1 ZINC000925865839 646518078 /nfs/dbraw/zinc/51/80/78/646518078.db2.gz SDQQVJATFGPDNI-BBBLOLIVSA-N 2 0 213.325 0.385 20 0 BCADRP [NH3+][C@@H]1C[C@H]([NH2+]CCO[C@H]2CCOC2)C12CCC2 ZINC000925876162 646525525 /nfs/dbraw/zinc/52/55/25/646525525.db2.gz XXTVAJGNHQOCNC-TUAOUCFPSA-N 2 0 240.347 0.651 20 0 BCADRP CCOCCOCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000925874371 646525897 /nfs/dbraw/zinc/52/58/97/646525897.db2.gz IXCVOOKRVTVYLJ-GFCCVEGCSA-N 2 0 230.352 0.771 20 0 BCADRP C(CO[C@H]1CCOC1)[NH2+]C1CC[NH2+]CC1 ZINC000925874637 646526693 /nfs/dbraw/zinc/52/66/93/646526693.db2.gz LXYRCFSTCCXBKY-NSHDSACASA-N 2 0 214.309 0.134 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCOC1CCOCC1 ZINC000925877413 646526821 /nfs/dbraw/zinc/52/68/21/646526821.db2.gz IAFPBVUZHUGPEB-DGCLKSJQSA-N 2 0 242.363 0.899 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCO[C@H]2CCOC2)C1 ZINC000925876251 646527763 /nfs/dbraw/zinc/52/77/63/646527763.db2.gz ZYDRRJAIKAORHZ-UTUOFQBUSA-N 2 0 228.336 0.651 20 0 BCADRP C[C@H]1CCNC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879355 646529003 /nfs/dbraw/zinc/52/90/03/646529003.db2.gz BWEZZPYOCJIIBO-USZNOCQGSA-N 2 0 211.353 0.701 20 0 BCADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C12CCC2 ZINC000925880112 646529247 /nfs/dbraw/zinc/52/92/47/646529247.db2.gz OGELHLRZPFDCJG-NOOOWODRSA-N 3 0 223.364 0.973 20 0 BCADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000925880337 646529487 /nfs/dbraw/zinc/52/94/87/646529487.db2.gz PHVRMSACXZBQCJ-WYUUTHIRSA-N 3 0 211.353 0.844 20 0 BCADRP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925883352 646532839 /nfs/dbraw/zinc/53/28/39/646532839.db2.gz VNKNHNJZXFAKHH-MXWKQRLJSA-N 2 0 248.392 0.527 20 0 BCADRP C[C@@H]1COC[C@H]1[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000926451359 646641339 /nfs/dbraw/zinc/64/13/39/646641339.db2.gz YXYKKTYGSQLGAH-KBVBSXBZSA-N 2 0 221.304 0.892 20 0 BCADRP COCCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723894848 711544198 /nfs/dbraw/zinc/54/41/98/711544198.db2.gz PLXSXSYBPFPXJP-GHMZBOCLSA-N 2 0 200.326 0.940 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC2CC[NH2+]CC2)C1 ZINC000891962729 711561900 /nfs/dbraw/zinc/56/19/00/711561900.db2.gz XJNWPRSFFRDDIG-MWLCHTKSSA-N 2 0 240.351 0.308 20 0 BCADRP [NH3+]C1CC[NH+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000724555732 711589783 /nfs/dbraw/zinc/58/97/83/711589783.db2.gz DVBZEUMGLMQEOW-ADEWGFFLSA-N 2 0 226.320 0.213 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724913214 711626879 /nfs/dbraw/zinc/62/68/79/711626879.db2.gz FPDHMZKQPLDYCE-WDEREUQCSA-N 2 0 214.309 0.073 20 0 BCADRP C[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000309064084 711661371 /nfs/dbraw/zinc/66/13/71/711661371.db2.gz YBQNMHBYEGMTRN-WOPDTQHZSA-N 2 0 212.337 0.831 20 0 BCADRP CN(C)C(=[NH2+])NCCNc1cc[nH+]cc1 ZINC000393800527 711678801 /nfs/dbraw/zinc/67/88/01/711678801.db2.gz SCLWPJLLAPDSOT-UHFFFAOYSA-N 2 0 207.281 0.001 20 0 BCADRP CN(C[C@H](O)C[NH+]1CCCC1)C1(C[NH3+])CCC1 ZINC000395502185 711694741 /nfs/dbraw/zinc/69/47/41/711694741.db2.gz LKCMTRQWLKVFED-LBPRGKRZSA-N 2 0 241.379 0.256 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335625070 711728114 /nfs/dbraw/zinc/72/81/14/711728114.db2.gz RSQXWQJAACEYRS-AAEUAGOBSA-N 2 0 239.363 0.714 20 0 BCADRP CCN1CCC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1=O ZINC000722355743 711745430 /nfs/dbraw/zinc/74/54/30/711745430.db2.gz GUAOCEQILQZCIK-SRVKXCTJSA-N 2 0 239.363 0.857 20 0 BCADRP CC[C@H](CN1CCOCC1)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000925819371 711755665 /nfs/dbraw/zinc/75/56/65/711755665.db2.gz AZZNTYNQSXUVSO-JHJVBQTASA-N 2 0 243.395 0.813 20 0 BCADRP C[N@@H+]1C[C@@H]2CN(C[C@@H]([NH3+])CC(F)F)C[C@]2(C)C1 ZINC000702470210 712053538 /nfs/dbraw/zinc/05/35/38/712053538.db2.gz NBFYVALJWLVAOB-SCVCMEIPSA-N 2 0 247.333 0.852 20 0 BCADRP CC1([NH3+])CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000704581367 712112790 /nfs/dbraw/zinc/11/27/90/712112790.db2.gz NHUNAJHEVCLOIT-LBPRGKRZSA-N 2 0 241.379 0.256 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](CO)[C@H](CO)C1 ZINC000704770086 712115723 /nfs/dbraw/zinc/11/57/23/712115723.db2.gz GMOBJLIHJJZRCE-FRRDWIJNSA-N 2 0 242.363 0.003 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C/C=C/Cl ZINC000706666807 712150993 /nfs/dbraw/zinc/15/09/93/712150993.db2.gz ZPRQPWVUUJZJHR-ONEGZZNKSA-N 2 0 206.717 0.907 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@H]1C ZINC000706762867 712154974 /nfs/dbraw/zinc/15/49/74/712154974.db2.gz PPQAJDYYXIMFND-GHMZBOCLSA-N 2 0 200.326 0.782 20 0 BCADRP CC(C)[C@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710670779 712265172 /nfs/dbraw/zinc/26/51/72/712265172.db2.gz DNNVUANFORJGQJ-GFCCVEGCSA-N 2 0 244.379 0.392 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711312676 712293680 /nfs/dbraw/zinc/29/36/80/712293680.db2.gz YKMMPIVVQLKEGS-MNOVXSKESA-N 2 0 239.363 0.442 20 0 BCADRP FC[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000711442142 712300657 /nfs/dbraw/zinc/30/06/57/712300657.db2.gz HWNAIZXSEJSIJR-GFCCVEGCSA-N 2 0 229.343 0.573 20 0 BCADRP C[C@H](C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2)[NH+](C)C ZINC000923261665 712308922 /nfs/dbraw/zinc/30/89/22/712308922.db2.gz NYYFUEAUFLTJEF-UTUOFQBUSA-N 2 0 239.363 0.632 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000379462115 712385122 /nfs/dbraw/zinc/38/51/22/712385122.db2.gz UETZDRNCZBDXQQ-FXPVBKGRSA-N 2 0 213.325 0.099 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712672670 712440657 /nfs/dbraw/zinc/44/06/57/712440657.db2.gz IZOKHJYXVLIPOB-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[NH2+]CC1 ZINC000713118253 712452743 /nfs/dbraw/zinc/45/27/43/712452743.db2.gz JRMQBBJPJRPSFN-JTQLQIEISA-N 2 0 227.352 0.428 20 0 BCADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)CC(C)(C)S(C)(=O)=O ZINC000714010941 712477526 /nfs/dbraw/zinc/47/75/26/712477526.db2.gz ZXLDNUVGWJBFSQ-AOOOYVTPSA-N 2 0 248.392 0.479 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000715516688 712525295 /nfs/dbraw/zinc/52/52/95/712525295.db2.gz FOTSMPRDSNGABZ-GRYCIOLGSA-N 2 0 239.363 0.727 20 0 BCADRP COC[C@@](C)(CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000716934197 712597137 /nfs/dbraw/zinc/59/71/37/712597137.db2.gz DVCNLSMYGNLOHT-GFCCVEGCSA-N 2 0 230.352 0.315 20 0 BCADRP O=C(CC[NH2+]CC1CC1)NCC[NH+]1CCCC1 ZINC000717168190 712638529 /nfs/dbraw/zinc/63/85/29/712638529.db2.gz BFZLOGGPKXBNOQ-UHFFFAOYSA-N 2 0 239.363 0.588 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)CCC[NH2+]C)CC1 ZINC000037610741 712678921 /nfs/dbraw/zinc/67/89/21/712678921.db2.gz MTHPOIBQKATCBI-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@H](C[NH2+][C@@H](C)C[C@H]1CCC(=O)N1)C[NH+](C)C ZINC000380093651 712685552 /nfs/dbraw/zinc/68/55/52/712685552.db2.gz VMXMZWFUUZZCKZ-GRYCIOLGSA-N 2 0 241.379 0.831 20 0 BCADRP O[C@H](C[NH2+]C[C@@H]1CCC=CO1)C[NH+]1CCCC1 ZINC000380209141 712725629 /nfs/dbraw/zinc/72/56/29/712725629.db2.gz HBOSMZPGSYSKHA-OLZOCXBDSA-N 2 0 240.347 0.725 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000037824291 712768943 /nfs/dbraw/zinc/76/89/43/712768943.db2.gz ORIIHXUTQIEWEE-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000038029464 712800211 /nfs/dbraw/zinc/80/02/11/712800211.db2.gz ACBMTIJIOPACQO-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP CNC(=O)CC[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719251928 712801669 /nfs/dbraw/zinc/80/16/69/712801669.db2.gz KJJWPFNXSKFRBA-YOGCLGLASA-N 2 0 239.363 0.585 20 0 BCADRP CC1(C)CN(C[C@@H](O)C[NH+]2CCCC2)C[C@H]1[NH3+] ZINC000720770789 712864470 /nfs/dbraw/zinc/86/44/70/712864470.db2.gz ZIFSECZQUNNPGT-NWDGAFQWSA-N 2 0 241.379 0.112 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(C)(C)C[NH3+] ZINC000720890775 712874861 /nfs/dbraw/zinc/87/48/61/712874861.db2.gz UEEVYSPVVMPREQ-WDEREUQCSA-N 2 0 239.363 0.666 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@H]1CCC[NH2+]1 ZINC000720896245 712876434 /nfs/dbraw/zinc/87/64/34/712876434.db2.gz PVSURXCYYHJAKG-FRRDWIJNSA-N 2 0 223.364 0.907 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720896715 712876454 /nfs/dbraw/zinc/87/64/54/712876454.db2.gz DHSIGCVARHPOKH-SDDRHHMPSA-N 2 0 239.363 0.665 20 0 BCADRP CC[NH2+]CC(=O)NCC1([NH3+])CCCCC1 ZINC000381386330 710630953 /nfs/dbraw/zinc/63/09/53/710630953.db2.gz MFKTZCCHLBLECU-UHFFFAOYSA-N 2 0 213.325 0.374 20 0 BCADRP Cc1ccc(F)cc1CNC(C[NH3+])C[NH3+] ZINC000381505540 710647376 /nfs/dbraw/zinc/64/73/76/710647376.db2.gz DVKTUCLECDINNL-UHFFFAOYSA-N 2 0 211.284 0.510 20 0 BCADRP CC[C@@H]1C(=O)NCC[N@H+]1CCCCCC[NH3+] ZINC000381590316 710660254 /nfs/dbraw/zinc/66/02/54/710660254.db2.gz CWVAIDGTJIMOIZ-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000381786699 710715838 /nfs/dbraw/zinc/71/58/38/710715838.db2.gz YYMKAVZYSQNJKS-WOPDTQHZSA-N 3 0 211.353 0.798 20 0 BCADRP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CC[NH3+] ZINC000723890161 710733131 /nfs/dbraw/zinc/73/31/31/710733131.db2.gz CKDNJDNWLQUIQW-ZYHUDNBSSA-N 2 0 239.363 0.429 20 0 BCADRP CC[C@@H]1C[N@H+](CCO[C@@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000724920738 710748841 /nfs/dbraw/zinc/74/88/41/710748841.db2.gz HTWJUYHROWBMPN-UPJWGTAASA-N 2 0 242.363 0.851 20 0 BCADRP CC[C@@H]1C[N@H+](CCO[C@H]2CCOC2)CC[C@H]1[NH3+] ZINC000724920736 710749004 /nfs/dbraw/zinc/74/90/04/710749004.db2.gz HTWJUYHROWBMPN-FRRDWIJNSA-N 2 0 242.363 0.851 20 0 BCADRP C[C@@H]([NH3+])CN(C)CCO[C@@H]1CCOC1 ZINC000724917217 710749186 /nfs/dbraw/zinc/74/91/86/710749186.db2.gz XJQOPBNOCVJILY-NXEZZACHSA-N 2 0 202.298 0.071 20 0 BCADRP C1[NH2+][C@H]2[C@H]([NH2+]C3CCOCC3)[C@H]3C[C@H]1[C@@H]2C3 ZINC000382064577 710772280 /nfs/dbraw/zinc/77/22/80/710772280.db2.gz QRGQNNUVDTVACT-WXDOIIRRSA-N 2 0 222.332 0.751 20 0 BCADRP CC(C)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000133090168 710968260 /nfs/dbraw/zinc/96/82/60/710968260.db2.gz IHVIVCITQCQPPB-GHMZBOCLSA-N 2 0 227.352 0.428 20 0 BCADRP CNC(=O)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000382534649 710972838 /nfs/dbraw/zinc/97/28/38/710972838.db2.gz NQBYPQVXBSIRIQ-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H](CNC1=[NH+]CCN1C)C[NH+]1CCCCC1 ZINC000383565114 710983660 /nfs/dbraw/zinc/98/36/60/710983660.db2.gz AVKPPWBCFSATDA-LBPRGKRZSA-N 2 0 238.379 0.999 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000380652897 712902233 /nfs/dbraw/zinc/90/22/33/712902233.db2.gz RDNGWQYQEZNHSV-UWVGGRQHSA-N 2 0 235.322 0.995 20 0 BCADRP C[C@H](N[C@@H]1CC[N@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000386183629 711025105 /nfs/dbraw/zinc/02/51/05/711025105.db2.gz YMMVWWHRWSOOEM-QJPTWQEYSA-N 2 0 211.353 0.811 20 0 BCADRP CC[NH+]1CCC(CNC2=[NH+]CCCN2C)CC1 ZINC000386590470 711033796 /nfs/dbraw/zinc/03/37/96/711033796.db2.gz REMMFOIKWZDJBO-UHFFFAOYSA-N 2 0 238.379 0.999 20 0 BCADRP CC(C)[N@H+](C)CCNC1=[NH+]CCCN1C ZINC000386596415 711033978 /nfs/dbraw/zinc/03/39/78/711033978.db2.gz SVFMMBWNEQSTSZ-UHFFFAOYSA-N 2 0 212.341 0.608 20 0 BCADRP CC[NH+]1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC000387466657 711044549 /nfs/dbraw/zinc/04/45/49/711044549.db2.gz YCPYEMZZQOVASL-UHFFFAOYSA-N 2 0 240.351 0.086 20 0 BCADRP C[C@H]1CC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000389219420 711073660 /nfs/dbraw/zinc/07/36/60/711073660.db2.gz MQKFFABZYLSIKI-WDEREUQCSA-N 2 0 200.326 0.953 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000389638138 711083812 /nfs/dbraw/zinc/08/38/12/711083812.db2.gz KCDUZFHDMPSXEV-CMPLNLGQSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+]CC1CCN(Cc2cnns2)CC1 ZINC000389687232 711086705 /nfs/dbraw/zinc/08/67/05/711086705.db2.gz GRJAVOPKCYROET-UHFFFAOYSA-N 2 0 226.349 0.970 20 0 BCADRP Cn1ncc(CN[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000389806908 711088915 /nfs/dbraw/zinc/08/89/15/711088915.db2.gz CKFSKQIMXWWEJS-RKDXNWHRSA-N 2 0 209.297 0.175 20 0 BCADRP C[C@H](C[NH2+]C1CCN(C=O)CC1)N(C)C ZINC000389894581 711096280 /nfs/dbraw/zinc/09/62/80/711096280.db2.gz XWUKVCAVFRIPDC-SNVBAGLBSA-N 2 0 213.325 0.147 20 0 BCADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H](CN)C1CC1 ZINC000390612055 711127750 /nfs/dbraw/zinc/12/77/50/711127750.db2.gz FJXNLWKWGQLBAU-USWWRNFRSA-N 2 0 211.353 0.783 20 0 BCADRP [NH3+][C@@H](CC(=O)NCC[N@H+]1CC=CCC1)C1CC1 ZINC000392793031 711151142 /nfs/dbraw/zinc/15/11/42/711151142.db2.gz ILIXGTKOEDPJRP-LBPRGKRZSA-N 2 0 237.347 0.492 20 0 BCADRP C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000392848778 711153060 /nfs/dbraw/zinc/15/30/60/711153060.db2.gz BZIHOCVZQZJSQI-YHQUGGNUSA-N 2 0 235.375 0.668 20 0 BCADRP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@H]1CCOC1 ZINC000392939452 711154871 /nfs/dbraw/zinc/15/48/71/711154871.db2.gz ZFIXZIHLJUFMPM-ISCIKXKRSA-N 2 0 236.359 0.997 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000393823719 711177296 /nfs/dbraw/zinc/17/72/96/711177296.db2.gz BFZOQZVGVWSSAS-AVGNSLFASA-N 2 0 243.395 0.323 20 0 BCADRP CC[NH2+]CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000393827870 711177379 /nfs/dbraw/zinc/17/73/79/711177379.db2.gz SGISMKXPAONSIO-NSHDSACASA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000394953738 711199873 /nfs/dbraw/zinc/19/98/73/711199873.db2.gz OOHUSFPHENIBFQ-KOLCDFICSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC1CC[NH+](C)CC1 ZINC000396576983 711357373 /nfs/dbraw/zinc/35/73/73/711357373.db2.gz CXHONPPMLXCDTB-CMPLNLGQSA-N 2 0 211.353 0.811 20 0 BCADRP CNC(=O)CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000398308011 711408457 /nfs/dbraw/zinc/40/84/57/711408457.db2.gz JRSKJGHVBDOKJP-BSFRTMCYSA-N 2 0 237.347 0.099 20 0 BCADRP C[C@@H]1C[C@H](C(=O)NCC(C)(C)[NH3+])CC[NH2+]1 ZINC000381399301 710632883 /nfs/dbraw/zinc/63/28/83/710632883.db2.gz PQYAKNOXHOEOHW-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP C1[NH2+][C@@H]2[C@H]([NH2+]C3CCOCC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000382064572 710771241 /nfs/dbraw/zinc/77/12/41/710771241.db2.gz QRGQNNUVDTVACT-MNSQCTGESA-N 2 0 222.332 0.751 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000385010349 711003413 /nfs/dbraw/zinc/00/34/13/711003413.db2.gz XRUUXXHKVMFZTE-MNOVXSKESA-N 2 0 230.352 0.565 20 0 BCADRP CON1CCC([NH2+]CC2=CC[N@H+](C)CC2)CC1 ZINC000392300580 711144945 /nfs/dbraw/zinc/14/49/45/711144945.db2.gz FVCGPDPHSICVPM-UHFFFAOYSA-N 2 0 239.363 0.864 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NCC[N@H+]1CC=CCC1 ZINC000396676186 711363115 /nfs/dbraw/zinc/36/31/15/711363115.db2.gz SZWDLEDUMABWNJ-OLZOCXBDSA-N 2 0 223.364 0.978 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000396707762 711366337 /nfs/dbraw/zinc/36/63/37/711366337.db2.gz NWOCVKZXVDQBRR-DMDPSCGWSA-N 2 0 223.364 0.953 20 0 BCADRP C[C@]1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCOC1 ZINC000397151481 711378463 /nfs/dbraw/zinc/37/84/63/711378463.db2.gz JNWHKCCOZZWLLU-QEHJDLSMSA-N 2 0 236.359 0.999 20 0 BCADRP C[C@H]1NCCC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397552786 711386995 /nfs/dbraw/zinc/38/69/95/711386995.db2.gz ZLRCCFWVEZTWRH-NEPJUHHUSA-N 2 0 241.379 0.173 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075108710 711445478 /nfs/dbraw/zinc/44/54/78/711445478.db2.gz FAPWAKBHSIPZMO-TUAOUCFPSA-N 2 0 239.363 0.537 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](C)C[NH3+] ZINC000417282731 711494929 /nfs/dbraw/zinc/49/49/29/711494929.db2.gz BBRYQDSYJCYMNC-VHSXEESVSA-N 2 0 230.356 0.363 20 0 BCADRP CC(=O)NCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000383502805 711496489 /nfs/dbraw/zinc/49/64/89/711496489.db2.gz YOLICLUCWQZKKV-NWBUJAPZSA-N 2 0 237.347 0.099 20 0 BCADRP CC[C@@H]1CN(C(=O)C[C@H](C)[NH3+])CC[C@@H]1[NH3+] ZINC000390435391 711512286 /nfs/dbraw/zinc/51/22/86/711512286.db2.gz RSUASJOANFWXAL-AEJSXWLSSA-N 2 0 213.325 0.310 20 0 BCADRP COC[C@@H](O)C[NH2+][C@H](C)CCCC[NH3+] ZINC000308482617 711523696 /nfs/dbraw/zinc/52/36/96/711523696.db2.gz HQLCPHBDVGPBRS-ZJUUUORDSA-N 2 0 204.314 0.101 20 0 BCADRP NC(=O)c1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000723668677 711533205 /nfs/dbraw/zinc/53/32/05/711533205.db2.gz AKGDKUXHFMWRJL-LBPRGKRZSA-N 2 0 247.342 0.956 20 0 BCADRP Cc1nonc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723692463 711534144 /nfs/dbraw/zinc/53/41/44/711534144.db2.gz YETUFKYFXSMJST-VIFPVBQESA-N 2 0 210.281 0.549 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723699875 711534940 /nfs/dbraw/zinc/53/49/40/711534940.db2.gz WGNMLAZSAHEJBT-JTQLQIEISA-N 2 0 214.309 0.610 20 0 BCADRP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723887807 711543702 /nfs/dbraw/zinc/54/37/02/711543702.db2.gz XUZSSTBNADTWKU-GHMZBOCLSA-N 2 0 227.352 0.429 20 0 BCADRP CC[C@H]1C(=O)NCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000891922575 711558164 /nfs/dbraw/zinc/55/81/64/711558164.db2.gz FUGODDRXVIUPKB-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1ccc(Cl)nc1 ZINC000309081653 711589010 /nfs/dbraw/zinc/58/90/10/711589010.db2.gz QLXWUSQDFHYREZ-UHFFFAOYSA-N 2 0 214.700 0.111 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C[C@H]1C[NH3+] ZINC000724560879 711590779 /nfs/dbraw/zinc/59/07/79/711590779.db2.gz XMQJQPDCHARBPF-RXGFPQBGSA-N 2 0 240.347 0.317 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C[C@H]1C[NH3+] ZINC000724560875 711590811 /nfs/dbraw/zinc/59/08/11/711590811.db2.gz XMQJQPDCHARBPF-KVSVUVNWSA-N 2 0 240.347 0.317 20 0 BCADRP C[N@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)C1CC[NH2+]CC1 ZINC000724565596 711593078 /nfs/dbraw/zinc/59/30/78/711593078.db2.gz XWTNMCOKAPULRD-WXHSDQCUSA-N 2 0 240.347 0.474 20 0 BCADRP [NH3+]C1(C[NH2+]C[C@@H]2C[C@H]3COC[C@@H]3O2)CCC1 ZINC000724578337 711594672 /nfs/dbraw/zinc/59/46/72/711594672.db2.gz XECRPINCXPYUER-DCAQKATOSA-N 2 0 226.320 0.261 20 0 BCADRP C[N@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)C1CC([NH3+])C1 ZINC000724588621 711595658 /nfs/dbraw/zinc/59/56/58/711595658.db2.gz BGSYVGZEQMPZOI-QPCJGGDKSA-N 2 0 226.320 0.212 20 0 BCADRP CC1([NH3+])CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000724612559 711598447 /nfs/dbraw/zinc/59/84/47/711598447.db2.gz KMEGMLHYIYPUGA-SDDRHHMPSA-N 2 0 240.347 0.604 20 0 BCADRP Cc1n[nH]cc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000724781177 711614280 /nfs/dbraw/zinc/61/42/80/711614280.db2.gz DELTYNVTZRHRFD-JTQLQIEISA-N 2 0 208.309 0.889 20 0 BCADRP [NH3+]C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC1 ZINC000925700949 711710531 /nfs/dbraw/zinc/71/05/31/711710531.db2.gz XRLFMIZVXGODNQ-LIBFEPKXSA-N 2 0 221.348 0.310 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925718004 711713752 /nfs/dbraw/zinc/71/37/52/711713752.db2.gz FKAYYTGDWLLYBW-SWYYREQYSA-N 2 0 235.375 0.713 20 0 BCADRP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000125541908 711730238 /nfs/dbraw/zinc/73/02/38/711730238.db2.gz MHCBBCLUKGKVDM-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP CCN1CCC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1=O ZINC000722355749 711745241 /nfs/dbraw/zinc/74/52/41/711745241.db2.gz GUAOCEQILQZCIK-WOPDTQHZSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925787917 711751883 /nfs/dbraw/zinc/75/18/83/711751883.db2.gz WXJVFQKPNKJKTD-KXNHARMFSA-N 2 0 223.364 0.701 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061644955 711759131 /nfs/dbraw/zinc/75/91/31/711759131.db2.gz PYBGPGGCBYKYDF-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP CCOCCOCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925875546 711761651 /nfs/dbraw/zinc/76/16/51/711761651.db2.gz UMIUSYQXXLPSFQ-NWDGAFQWSA-N 2 0 242.363 0.899 20 0 BCADRP CCC[NH+]1CCC([NH2+]C[C@H]2COCO2)CC1 ZINC000894875867 711774176 /nfs/dbraw/zinc/77/41/76/711774176.db2.gz KQEVPFYYANYQCR-LBPRGKRZSA-N 2 0 228.336 0.823 20 0 BCADRP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000160040483 711805536 /nfs/dbraw/zinc/80/55/36/711805536.db2.gz VYSOBWKLKZBVPD-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000237535617 711825662 /nfs/dbraw/zinc/82/56/62/711825662.db2.gz UWSPDUZTZPOAEM-MNOVXSKESA-N 2 0 241.379 0.723 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000227707538 711832602 /nfs/dbraw/zinc/83/26/02/711832602.db2.gz FJAYZHYBSOPLSD-HBNTYKKESA-N 2 0 216.325 0.195 20 0 BCADRP COC[C@@H](C[N@H+](C)CCOCC[NH3+])C(C)C ZINC000721922190 711937348 /nfs/dbraw/zinc/93/73/48/711937348.db2.gz VMPYYDIJFLRIRK-GFCCVEGCSA-N 2 0 232.368 0.812 20 0 BCADRP C[N@@H+](Cc1cnccn1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000700086053 711985834 /nfs/dbraw/zinc/98/58/34/711985834.db2.gz WHWWXJOZFPCTSH-AOOOYVTPSA-N 2 0 206.293 0.646 20 0 BCADRP CC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000700403922 711992423 /nfs/dbraw/zinc/99/24/23/711992423.db2.gz QJBPHKPCFFMCKJ-CHWSQXEVSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]C[C@@H]1CN(CCO)CC[C@@H]1C(F)(F)F ZINC000700798232 712005672 /nfs/dbraw/zinc/00/56/72/712005672.db2.gz VXYQYGUVNPHWMH-SFYZADRCSA-N 2 0 226.242 0.438 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC1CCOCC1)C2 ZINC000702054206 712037281 /nfs/dbraw/zinc/03/72/81/712037281.db2.gz TZZZKKJQOJBEPO-QWHCGFSZSA-N 2 0 224.348 0.954 20 0 BCADRP COCC(COC)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702096849 712038943 /nfs/dbraw/zinc/03/89/43/712038943.db2.gz IFDYOIAKZDAZBG-CMPLNLGQSA-N 2 0 228.336 0.189 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H]1CCOC1)C2 ZINC000702112186 712039482 /nfs/dbraw/zinc/03/94/82/712039482.db2.gz ZJFOJFPAODNTSM-GRYCIOLGSA-N 2 0 210.321 0.564 20 0 BCADRP C1C[C@@H]2C[C@H](N[C@@H]3CNOC3)CC[N@@H+]2C1 ZINC000703308451 712072112 /nfs/dbraw/zinc/07/21/12/712072112.db2.gz CDOYFWYNQUASSM-GMTAPVOTSA-N 2 0 211.309 0.106 20 0 BCADRP C[NH2+]CCN(C)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000703679177 712083510 /nfs/dbraw/zinc/08/35/10/712083510.db2.gz BERUMCNUVOSMCC-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H]1C[C@@H](O)C1 ZINC000703753615 712085143 /nfs/dbraw/zinc/08/51/43/712085143.db2.gz SHHAXPORZXNUDU-FRRDWIJNSA-N 2 0 242.363 0.146 20 0 BCADRP CC[C@H](C(N)=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000705629494 712133326 /nfs/dbraw/zinc/13/33/26/712133326.db2.gz OVQLCBBFBJVKOT-RTXFEEFZSA-N 2 0 239.363 0.524 20 0 BCADRP COc1cc(CN2CCC[C@H](C[NH3+])C2)on1 ZINC000705581368 712133657 /nfs/dbraw/zinc/13/36/57/712133657.db2.gz HLXACRYDLHVRAN-SECBINFHSA-N 2 0 225.292 0.854 20 0 BCADRP CCOC[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000705805557 712135924 /nfs/dbraw/zinc/13/59/24/712135924.db2.gz DAGOQPGMDPBZCJ-TUAOUCFPSA-N 2 0 228.336 0.461 20 0 BCADRP C[C@@H](C[N@@H+]1CC[C@H](CC[NH3+])C1)CS(C)(=O)=O ZINC000706567662 712149690 /nfs/dbraw/zinc/14/96/90/712149690.db2.gz AFPRHAMFSPIXGF-QWRGUYRKSA-N 2 0 248.392 0.338 20 0 BCADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000708446157 712194696 /nfs/dbraw/zinc/19/46/96/712194696.db2.gz NSWPDACDCMJXTL-UTUOFQBUSA-N 3 0 211.353 0.607 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCN(C)C1)[NH2+]2 ZINC000709430425 712221798 /nfs/dbraw/zinc/22/17/98/712221798.db2.gz AJSODDFUPLXUCR-NZEXEKPDSA-N 2 0 223.364 0.809 20 0 BCADRP C[C@@H]1COC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709463329 712222416 /nfs/dbraw/zinc/22/24/16/712222416.db2.gz DUZLLFAQGBMEGE-NXQJVVEESA-N 2 0 210.321 0.894 20 0 BCADRP CSc1ccc(CNC(C[NH3+])C[NH3+])cc1 ZINC000710079376 712244310 /nfs/dbraw/zinc/24/43/10/712244310.db2.gz KPZBNFYNASASCA-UHFFFAOYSA-N 2 0 225.361 0.784 20 0 BCADRP OCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000710285879 712250858 /nfs/dbraw/zinc/25/08/58/712250858.db2.gz OAGGHXQOQRSJIZ-GFCCVEGCSA-N 2 0 212.337 0.690 20 0 BCADRP O[C@@H]1CCCC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000710691372 712254367 /nfs/dbraw/zinc/25/43/67/712254367.db2.gz UJEDKOMDFFPHFN-WTPNQPAHSA-N 2 0 236.359 0.876 20 0 BCADRP CC[C@@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710640934 712264600 /nfs/dbraw/zinc/26/46/00/712264600.db2.gz GWGZWULUZRWSFI-LLVKDONJSA-N 2 0 230.352 0.146 20 0 BCADRP CO[C@H](C)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710648407 712264877 /nfs/dbraw/zinc/26/48/77/712264877.db2.gz HVKDHIZUCOYSLO-LLVKDONJSA-N 2 0 230.352 0.410 20 0 BCADRP CCOCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710650893 712265455 /nfs/dbraw/zinc/26/54/55/712265455.db2.gz YMGDIHJQILESIV-UHFFFAOYSA-N 2 0 230.352 0.411 20 0 BCADRP C[C@H](CO)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710650643 712265695 /nfs/dbraw/zinc/26/56/95/712265695.db2.gz XZGOPANREADEGR-NSHDSACASA-N 2 0 230.352 0.003 20 0 BCADRP C[C@@H](C(N)=O)[N@H+](C)CCCCCC[NH3+] ZINC000711185563 712288118 /nfs/dbraw/zinc/28/81/18/712288118.db2.gz DHYLRAOVWOVHMO-VIFPVBQESA-N 2 0 201.314 0.311 20 0 BCADRP C[NH+](C)CC1(O)CC[NH+](CCOC2CC2)CC1 ZINC000711655584 712315447 /nfs/dbraw/zinc/31/54/47/712315447.db2.gz DUXARVNREAPQCM-UHFFFAOYSA-N 2 0 242.363 0.554 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000923480264 712334374 /nfs/dbraw/zinc/33/43/74/712334374.db2.gz HBJJNOKOLSQSMZ-NWDGAFQWSA-N 3 0 239.363 0.178 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923479154 712334513 /nfs/dbraw/zinc/33/45/13/712334513.db2.gz MSPCNOGZSNUXER-LLVKDONJSA-N 3 0 211.353 0.799 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478676 712334605 /nfs/dbraw/zinc/33/46/05/712334605.db2.gz GCRMNAQOAYJMBN-LBPRGKRZSA-N 2 0 230.352 0.710 20 0 BCADRP CCOCC[C@@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923478845 712334712 /nfs/dbraw/zinc/33/47/12/712334712.db2.gz HYJCWSVWIWJQGP-VXGBXAGGSA-N 2 0 230.352 0.445 20 0 BCADRP Nc1ncccc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479649 712334749 /nfs/dbraw/zinc/33/47/49/712334749.db2.gz RJJBTCOXTRSVOO-SNVBAGLBSA-N 2 0 220.320 0.835 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480381 712335035 /nfs/dbraw/zinc/33/50/35/712335035.db2.gz XYKQPQRWWVABFH-NXEZZACHSA-N 2 0 218.366 0.381 20 0 BCADRP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001080936156 712354168 /nfs/dbraw/zinc/35/41/68/712354168.db2.gz LGFQKPOJHSIIRJ-GRYCIOLGSA-N 2 0 239.363 0.395 20 0 BCADRP CC[NH+]1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000379557529 712388322 /nfs/dbraw/zinc/38/83/22/712388322.db2.gz CEZLJWFXYAMLLX-CYBMUJFWSA-N 2 0 241.379 0.081 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@H]1CCC2(CCC2)O1 ZINC000712500048 712432242 /nfs/dbraw/zinc/43/22/42/712432242.db2.gz AKBXXALXQGAYGD-GFCCVEGCSA-N 2 0 242.363 0.995 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC[C@@H](O)C[NH+](C)C1CC1 ZINC000712577585 712432943 /nfs/dbraw/zinc/43/29/43/712432943.db2.gz GTYNJGOTMVJWCR-CHWSQXEVSA-N 2 0 241.379 0.125 20 0 BCADRP COC[C@@H](C[N@@H+]1CC[NH2+]CCC1(C)C)OC ZINC000712586632 712434937 /nfs/dbraw/zinc/43/49/37/712434937.db2.gz BPUIBJRXJQNVGB-LLVKDONJSA-N 2 0 230.352 0.722 20 0 BCADRP CN1CC[C@@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000712615067 712437825 /nfs/dbraw/zinc/43/78/25/712437825.db2.gz VGYZOSLKPPCODB-GFCCVEGCSA-N 2 0 211.353 0.622 20 0 BCADRP C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH2+]2)CCC1(C)C ZINC000712668248 712439951 /nfs/dbraw/zinc/43/99/51/712439951.db2.gz HTXNKTBAWQUHBW-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000713183921 712453376 /nfs/dbraw/zinc/45/33/76/712453376.db2.gz AVSHTCXFNBAIKX-BBGACYKPSA-N 2 0 249.358 0.467 20 0 BCADRP CC[C@H](O)C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713175045 712453580 /nfs/dbraw/zinc/45/35/80/712453580.db2.gz MDWFPYYARAXYNB-NSHDSACASA-N 2 0 212.337 0.975 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713240383 712456017 /nfs/dbraw/zinc/45/60/17/712456017.db2.gz RNOISTFDKYPFBI-MDZLAQPJSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[NH+](C)C ZINC000713255912 712456968 /nfs/dbraw/zinc/45/69/68/712456968.db2.gz PYDXHGQGHSDAKF-WYFGTUCQSA-N 2 0 225.336 0.180 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](CCN2CCOC2=O)C1 ZINC000714552309 712494049 /nfs/dbraw/zinc/49/40/49/712494049.db2.gz GDFYRKKOPLXCOE-SNVBAGLBSA-N 2 0 227.308 0.109 20 0 BCADRP CO[C@H]1C[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000714714925 712496400 /nfs/dbraw/zinc/49/64/00/712496400.db2.gz NLPXQVZOOAIRPN-JHJVBQTASA-N 2 0 242.363 0.458 20 0 BCADRP CO[C@H]1C[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000714714923 712496500 /nfs/dbraw/zinc/49/65/00/712496500.db2.gz NLPXQVZOOAIRPN-AVGNSLFASA-N 2 0 242.363 0.458 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715519290 712524949 /nfs/dbraw/zinc/52/49/49/712524949.db2.gz RRBFMOUVCIPXAS-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715516766 712525317 /nfs/dbraw/zinc/52/53/17/712525317.db2.gz HEXLBSBSFQQUEN-DCAQKATOSA-N 2 0 227.352 0.583 20 0 BCADRP COC[C@@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715580532 712527204 /nfs/dbraw/zinc/52/72/04/712527204.db2.gz NHRHBTHOSHOVPX-CPCZMJQVSA-N 2 0 244.379 0.846 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715580446 712527361 /nfs/dbraw/zinc/52/73/61/712527361.db2.gz VCJNSYANFORURQ-WOPDTQHZSA-N 2 0 241.379 0.973 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715562449 712528902 /nfs/dbraw/zinc/52/89/02/712528902.db2.gz POGKKVMNTFOBMG-MXWKQRLJSA-N 2 0 227.352 0.713 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000715573337 712529343 /nfs/dbraw/zinc/52/93/43/712529343.db2.gz QBKKZIJRASAIQB-GHMZBOCLSA-N 2 0 239.363 0.857 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715570739 712529351 /nfs/dbraw/zinc/52/93/51/712529351.db2.gz LWSVWJJKOITAAR-UTUOFQBUSA-N 2 0 241.379 0.973 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000715578487 712529477 /nfs/dbraw/zinc/52/94/77/712529477.db2.gz JDRYFADFFKUTHJ-DDHJBXDOSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cn(C)nn1 ZINC000715880209 712539095 /nfs/dbraw/zinc/53/90/95/712539095.db2.gz VIIIPKOHUVERJG-JTQLQIEISA-N 2 0 237.351 0.808 20 0 BCADRP C[C@@H]([NH2+]CCC1(C)OCCO1)[C@H]1CCC[NH2+]1 ZINC000716033304 712547181 /nfs/dbraw/zinc/54/71/81/712547181.db2.gz KGSKFJKVCXXVIU-GHMZBOCLSA-N 2 0 228.336 0.870 20 0 BCADRP C[C@@H](NC(=O)C[NH+](C)C)C1CC[NH2+]CC1 ZINC000716558258 712563879 /nfs/dbraw/zinc/56/38/79/712563879.db2.gz YDTJVMLIICODTH-SECBINFHSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH+]1CCC(NC(=O)c2cccc(C[NH3+])c2)CC1 ZINC000037266952 712565053 /nfs/dbraw/zinc/56/50/53/712565053.db2.gz GXBVXQNXJQUYSI-UHFFFAOYSA-N 2 0 247.342 0.969 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(C)OCCO1 ZINC000716821383 712576991 /nfs/dbraw/zinc/57/69/91/712576991.db2.gz OQSYQKUYYWFNIG-JTQLQIEISA-N 2 0 216.325 0.857 20 0 BCADRP CC[N@@H+]1CCC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925489832 712615639 /nfs/dbraw/zinc/61/56/39/712615639.db2.gz AOPCVFHLKMMUDV-NWDGAFQWSA-N 2 0 227.352 0.049 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)CC[NH2+]CC2CC2)C1 ZINC000717172468 712638011 /nfs/dbraw/zinc/63/80/11/712638011.db2.gz WHRIOGMHIRNQIW-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H](CO)C[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000717424171 712658416 /nfs/dbraw/zinc/65/84/16/712658416.db2.gz BAXVGYHOVFAFGL-TUAOUCFPSA-N 2 0 212.337 0.783 20 0 BCADRP C[C@@H](CNC(=[NH2+])NC1CC1)[N@H+](C)C1CC1 ZINC000221246874 712658539 /nfs/dbraw/zinc/65/85/39/712658539.db2.gz MQIBCTPKVVSINV-QMMMGPOBSA-N 2 0 210.325 0.745 20 0 BCADRP CC1(C)[C@H]([NH2+]C/C=C\CO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000717533553 712660696 /nfs/dbraw/zinc/66/06/96/712660696.db2.gz VRDRFDPCKMXXMS-YCBKHBRVSA-N 2 0 224.348 0.901 20 0 BCADRP C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)C1C[NH2+]C1 ZINC000717605477 712662235 /nfs/dbraw/zinc/66/22/35/712662235.db2.gz AQCPGPSKSIOGEK-ONGXEEELSA-N 2 0 212.337 0.999 20 0 BCADRP OC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000717644502 712662748 /nfs/dbraw/zinc/66/27/48/712662748.db2.gz HBFKJCFEGIYPJV-QWHCGFSZSA-N 2 0 242.363 0.194 20 0 BCADRP OC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000717644490 712662925 /nfs/dbraw/zinc/66/29/25/712662925.db2.gz HBFKJCFEGIYPJV-CHWSQXEVSA-N 2 0 242.363 0.194 20 0 BCADRP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CC2)CCN1C ZINC000380123109 712688310 /nfs/dbraw/zinc/68/83/10/712688310.db2.gz RAVBLAKZPFKUCE-JLLWLGSASA-N 2 0 212.337 0.830 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CC2)CCN1C ZINC000380123120 712688429 /nfs/dbraw/zinc/68/84/29/712688429.db2.gz RAVBLAKZPFKUCE-USWWRNFRSA-N 2 0 212.337 0.830 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CC2)CCN1C ZINC000380123104 712688500 /nfs/dbraw/zinc/68/85/00/712688500.db2.gz RAVBLAKZPFKUCE-ADEWGFFLSA-N 2 0 212.337 0.830 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)CCCCC[NH3+])C1 ZINC000037643445 712733055 /nfs/dbraw/zinc/73/30/55/712733055.db2.gz MYMSAOSNQSXWPS-GFCCVEGCSA-N 2 0 241.379 0.964 20 0 BCADRP C[N@H+](CCCC(C)(F)F)C[C@H](O)C[NH3+] ZINC000718721598 712778705 /nfs/dbraw/zinc/77/87/05/712778705.db2.gz ILSSQODUWAFUKM-MRVPVSSYSA-N 2 0 210.268 0.673 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000038029515 712800279 /nfs/dbraw/zinc/80/02/79/712800279.db2.gz MVPOBBQROZFIMN-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP NC(=O)[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000719248298 712801473 /nfs/dbraw/zinc/80/14/73/712801473.db2.gz PLVBCGGVTBQMSI-HSTDOPHLSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H](CNC(=O)CC1CC[NH2+]CC1)[NH+](C)C ZINC000038089288 712806953 /nfs/dbraw/zinc/80/69/53/712806953.db2.gz BBTSVWRBGNZGMZ-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP [NH3+]CC1(O)CC[NH+](CCc2ccns2)CC1 ZINC000719873673 712824730 /nfs/dbraw/zinc/82/47/30/712824730.db2.gz QJILIGLYZQAIRG-UHFFFAOYSA-N 2 0 241.360 0.471 20 0 BCADRP CC[C@H](O)C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720802377 712866539 /nfs/dbraw/zinc/86/65/39/712866539.db2.gz BONZIZPJTZBPRC-CIUDSAMLSA-N 2 0 240.269 0.826 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720808368 712866923 /nfs/dbraw/zinc/86/69/23/712866923.db2.gz WCKOWHCNDWYGGR-FRRDWIJNSA-N 2 0 242.363 0.851 20 0 BCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000720850324 712870707 /nfs/dbraw/zinc/87/07/07/712870707.db2.gz QLISMQQBCKGGFN-DMDPSCGWSA-N 2 0 237.347 0.149 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CC[NH2+]1 ZINC000720900114 712875199 /nfs/dbraw/zinc/87/51/99/712875199.db2.gz OTFKHKBOYUATMO-OUAUKWLOSA-N 2 0 223.320 0.043 20 0 BCADRP O[C@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000720893625 712875758 /nfs/dbraw/zinc/87/57/58/712875758.db2.gz OJWXEDZOSYKUIN-RVMXOQNASA-N 2 0 224.348 0.974 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000720901465 712875851 /nfs/dbraw/zinc/87/58/51/712875851.db2.gz SALRTASNGGPNAT-KXNHARMFSA-N 2 0 237.347 0.419 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720897456 712876314 /nfs/dbraw/zinc/87/63/14/712876314.db2.gz HSURDQRJWJVYGB-NEPJUHHUSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720896709 712876320 /nfs/dbraw/zinc/87/63/20/712876320.db2.gz DHSIGCVARHPOKH-IJLUTSLNSA-N 2 0 239.363 0.665 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)[NH3+] ZINC000720896453 712876361 /nfs/dbraw/zinc/87/63/61/712876361.db2.gz DGHKLVVFSITYJB-UWVGGRQHSA-N 2 0 225.336 0.419 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720897473 712876996 /nfs/dbraw/zinc/87/69/96/712876996.db2.gz HSURDQRJWJVYGB-VXGBXAGGSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000721051037 712888659 /nfs/dbraw/zinc/88/86/59/712888659.db2.gz VONJMTWJYGBBEK-ZNSHCXBVSA-N 2 0 225.336 0.038 20 0 BCADRP CC(C)[C@@H](C(=O)NCCC[NH3+])[NH+]1CCCCC1 ZINC000236660808 167341429 /nfs/dbraw/zinc/34/14/29/167341429.db2.gz UBXLSULFIZEKDW-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP O=C(NCCC[NH+]1CCCC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649281639 398137311 /nfs/dbraw/zinc/13/73/11/398137311.db2.gz YHUFABYMYDUTJI-UTUOFQBUSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418336905 192025634 /nfs/dbraw/zinc/02/56/34/192025634.db2.gz BAEZMDQQVOKGCJ-GHMZBOCLSA-N 2 0 242.367 0.270 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649318506 398141864 /nfs/dbraw/zinc/14/18/64/398141864.db2.gz QYSNYWPBAKIRIB-KKOKHZNYSA-N 2 0 239.363 0.583 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)CCC[NH2+]C ZINC000236734922 168323183 /nfs/dbraw/zinc/32/31/83/168323183.db2.gz NIKWPXYUZBCJTK-UHFFFAOYSA-N 2 0 215.341 0.620 20 0 BCADRP CN(C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000649322681 398144692 /nfs/dbraw/zinc/14/46/92/398144692.db2.gz FXMNVEVMQZDPCZ-MGAJPHDKSA-N 2 0 249.358 0.432 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CCN1CCNC(=O)CC1 ZINC000161616816 349476545 /nfs/dbraw/zinc/47/65/45/349476545.db2.gz IQVKCDUOKMNSNT-LLVKDONJSA-N 2 0 225.336 0.293 20 0 BCADRP C[N@@H+]1CCC[C@H]1CCN1CCNC(=O)CC1 ZINC000161616967 349476922 /nfs/dbraw/zinc/47/69/22/349476922.db2.gz IQVKCDUOKMNSNT-NSHDSACASA-N 2 0 225.336 0.293 20 0 BCADRP C[C@]1(C(=O)NCCCC[NH3+])CCC[NH2+]C1 ZINC000062859350 349493666 /nfs/dbraw/zinc/49/36/66/349493666.db2.gz ONSOPGRMMWXJLM-NSHDSACASA-N 2 0 213.325 0.231 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000257754616 349483681 /nfs/dbraw/zinc/48/36/81/349483681.db2.gz ZONBYVUMSSRKNI-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973206 349502987 /nfs/dbraw/zinc/50/29/87/349502987.db2.gz VWGRGQKDTGHGSC-GHMZBOCLSA-N 2 0 225.336 0.420 20 0 BCADRP C[C@H](CCO)[NH+](C)CCC[N@@H+](C)[C@@H](C)CCO ZINC000649869720 398155790 /nfs/dbraw/zinc/15/57/90/398155790.db2.gz KPJJNHIHRDZFLC-BETUJISGSA-N 2 0 246.395 0.782 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000649341573 398157639 /nfs/dbraw/zinc/15/76/39/398157639.db2.gz INNNRDHAYAPGRS-GHMZBOCLSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649354060 398167422 /nfs/dbraw/zinc/16/74/22/398167422.db2.gz FDSVHWNRXJEWLL-GDNZZTSVSA-N 2 0 237.347 0.004 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CC(C)(C)[NH3+] ZINC000379804150 398168003 /nfs/dbraw/zinc/16/80/03/398168003.db2.gz NHAQQAVYQCEPQD-MRVPVSSYSA-N 2 0 201.314 0.213 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000390287755 398169891 /nfs/dbraw/zinc/16/98/91/398169891.db2.gz XLYQDQVELWXTPO-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[NH+](C)C ZINC000649356254 398170506 /nfs/dbraw/zinc/17/05/06/398170506.db2.gz HRRRVSVAOMPLLJ-LPEHRKFASA-N 2 0 213.325 0.051 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C[C@H](C)[NH3+] ZINC000380060708 398183069 /nfs/dbraw/zinc/18/30/69/398183069.db2.gz ZLZNIIWWNLOGON-VIFPVBQESA-N 2 0 201.314 0.228 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[NH2+]C12CCCC2)[NH+](C)C ZINC000649373469 398183177 /nfs/dbraw/zinc/18/31/77/398183177.db2.gz ZZMOCWXSFKXVRL-WDEREUQCSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000390432905 398173363 /nfs/dbraw/zinc/17/33/63/398173363.db2.gz QKRCCQSNBKMVEX-WCBMZHEXSA-N 2 0 207.277 0.150 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000390515408 398177023 /nfs/dbraw/zinc/17/70/23/398177023.db2.gz CSYOIBBFYQDXOP-AXTSPUMRSA-N 2 0 213.325 0.356 20 0 BCADRP C[C@@H](C(=O)N[C@H](C[NH3+])C(C)(C)C)[NH+](C)C ZINC000649367329 398179828 /nfs/dbraw/zinc/17/98/28/398179828.db2.gz MGNVEMWLMHBWSP-DTWKUNHWSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@@H](C(=O)N1C[C@H]([NH3+])Cc2ccccc21)[NH+](C)C ZINC000649368847 398181222 /nfs/dbraw/zinc/18/12/22/398181222.db2.gz AOMFORJLYMQGCR-CMPLNLGQSA-N 2 0 247.342 0.853 20 0 BCADRP C[C@@H](C(=O)NCCC[NH2+]C1CC1)[NH+](C)C ZINC000649371698 398182210 /nfs/dbraw/zinc/18/22/10/398182210.db2.gz METLMVXISJSHEA-VIFPVBQESA-N 2 0 213.325 0.195 20 0 BCADRP COC[C@@H]1C[C@H](OC)C[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000415094651 398160289 /nfs/dbraw/zinc/16/02/89/398160289.db2.gz FGKUEDYMSABICU-RWMBFGLXSA-N 2 0 242.363 0.722 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[N@@H+]1C1CC1 ZINC000649348145 398161744 /nfs/dbraw/zinc/16/17/44/398161744.db2.gz AEBNGQIYOWIDST-QTCIEIIFSA-N 2 0 249.358 0.478 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649348468 398162315 /nfs/dbraw/zinc/16/23/15/398162315.db2.gz LRDKJXYBIUMOGJ-ZMHPAJMFSA-N 2 0 249.358 0.051 20 0 BCADRP [NH3+]C1(C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000649349553 398162456 /nfs/dbraw/zinc/16/24/56/398162456.db2.gz LYZBJJPAHXDFAJ-UHFFFAOYSA-N 2 0 246.314 0.222 20 0 BCADRP CC(C)(C[NH3+])c1nc([C@H]2CCC[NH2+]2)no1 ZINC000390194067 398162722 /nfs/dbraw/zinc/16/27/22/398162722.db2.gz OLVPBTUUVPLCIZ-SSDOTTSWSA-N 2 0 210.281 0.730 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000035738374 398165425 /nfs/dbraw/zinc/16/54/25/398165425.db2.gz AZJPGWLXEPUMHW-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)([NH3+])CCC(=O)NCC(C)(C)[NH3+] ZINC000379782405 398166893 /nfs/dbraw/zinc/16/68/93/398166893.db2.gz GMGWZDNZXZMLAY-UHFFFAOYSA-N 2 0 201.314 0.357 20 0 BCADRP CCCC[N@H+](CC[C@@H]1CC[NH2+]C1)CC(N)=O ZINC000396737558 398167064 /nfs/dbraw/zinc/16/70/64/398167064.db2.gz LVADBDQHJUJQDI-NSHDSACASA-N 2 0 227.352 0.573 20 0 BCADRP C[C@@]1(C(N)=O)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000235433275 398186571 /nfs/dbraw/zinc/18/65/71/398186571.db2.gz XNZOOQMFNJFOLO-GFCCVEGCSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@H]1CN(C(=O)NCC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000576254912 365541201 /nfs/dbraw/zinc/54/12/01/365541201.db2.gz WJSJYQSSLROJDR-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000576226177 365528487 /nfs/dbraw/zinc/52/84/87/365528487.db2.gz WNBQSMZQINMSTN-ZYHUDNBSSA-N 2 0 235.331 0.410 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000576228255 365529991 /nfs/dbraw/zinc/52/99/91/365529991.db2.gz CVRJMLBFWIQYJT-GMTAPVOTSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000576229308 365531211 /nfs/dbraw/zinc/53/12/11/365531211.db2.gz QNJGWRVODYZJCZ-UXCLJVHYSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ncnn1C ZINC000647795789 398194348 /nfs/dbraw/zinc/19/43/48/398194348.db2.gz WDNLUYIYVNEHOW-NNYUYHANSA-N 2 0 249.362 0.854 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN[C@H](C)c1cn[nH]c1 ZINC000584239839 398184159 /nfs/dbraw/zinc/18/41/59/398184159.db2.gz OBJNYIFUQMIBFD-MWLCHTKSSA-N 2 0 226.324 0.373 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000649371122 398185243 /nfs/dbraw/zinc/18/52/43/398185243.db2.gz MJLMINFMSQZBGK-HBNTYKKESA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H](CN(C)C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647796798 398201669 /nfs/dbraw/zinc/20/16/69/398201669.db2.gz OCYDZNUTGCHAQC-UMSGYPCISA-N 2 0 225.380 0.914 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000336706888 398204478 /nfs/dbraw/zinc/20/44/78/398204478.db2.gz RPEMKVAPSLUAQZ-LLVKDONJSA-N 2 0 214.309 0.610 20 0 BCADRP Cn1ccnc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069724214 398213737 /nfs/dbraw/zinc/21/37/37/398213737.db2.gz RWIRNANZVUCKCC-NSHDSACASA-N 2 0 222.336 0.981 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]1CC[NH2+]C1 ZINC000236689474 187328344 /nfs/dbraw/zinc/32/83/44/187328344.db2.gz PVHVJSAQUQNZMD-JQWIXIFHSA-N 2 0 227.352 0.476 20 0 BCADRP C[NH2+]CCCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649412584 398215078 /nfs/dbraw/zinc/21/50/78/398215078.db2.gz ULFQOPHZTYOVDO-CHWSQXEVSA-N 2 0 241.379 0.127 20 0 BCADRP C[NH2+]CCCN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000649412585 398215116 /nfs/dbraw/zinc/21/51/16/398215116.db2.gz ULFQOPHZTYOVDO-OLZOCXBDSA-N 2 0 241.379 0.127 20 0 BCADRP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)O ZINC000386680845 398216441 /nfs/dbraw/zinc/21/64/41/398216441.db2.gz IFBUMRZMDJKMBW-UTUOFQBUSA-N 2 0 230.352 0.192 20 0 BCADRP C[C@@H]([NH3+])CN1CCN(c2cc[nH+]cc2)CC1 ZINC000649414663 398218589 /nfs/dbraw/zinc/21/85/89/398218589.db2.gz QAKRPFOOGXHTDP-LLVKDONJSA-N 2 0 220.320 0.551 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000418374335 192029987 /nfs/dbraw/zinc/02/99/87/192029987.db2.gz SFQWEFZEGPWFFE-GMTAPVOTSA-N 2 0 240.351 0.308 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N(C)CC[NH+](C)C ZINC000418381391 192030395 /nfs/dbraw/zinc/03/03/95/192030395.db2.gz GHVQLQGYUIZILZ-SNVBAGLBSA-N 2 0 230.356 0.173 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418381260 192030676 /nfs/dbraw/zinc/03/06/76/192030676.db2.gz XIOYHMGLLCRQLF-WDEREUQCSA-N 2 0 242.367 0.555 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418384045 192030893 /nfs/dbraw/zinc/03/08/93/192030893.db2.gz NWIOASMWINULJN-WDEREUQCSA-N 2 0 242.367 0.363 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418382979 192031071 /nfs/dbraw/zinc/03/10/71/192031071.db2.gz MTYKMFZWPMCZKI-ZJUUUORDSA-N 2 0 228.340 0.021 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@H](C)CCCC[NH3+] ZINC000418387816 192031818 /nfs/dbraw/zinc/03/18/18/192031818.db2.gz MWBYMBIMIAPZTG-WDEREUQCSA-N 2 0 244.383 0.659 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000418403275 192033571 /nfs/dbraw/zinc/03/35/71/192033571.db2.gz JEODAOVYJNGYFF-OUAUKWLOSA-N 2 0 242.367 0.348 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418405246 192033802 /nfs/dbraw/zinc/03/38/02/192033802.db2.gz JZFXMPBXCJJIMM-OUAUKWLOSA-N 2 0 242.367 0.398 20 0 BCADRP [NH3+]C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000418408974 192034096 /nfs/dbraw/zinc/03/40/96/192034096.db2.gz VBRVTOQZQVFGOW-MXWKQRLJSA-N 2 0 240.351 0.293 20 0 BCADRP CC(C)(C[NH3+])NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418411718 192034106 /nfs/dbraw/zinc/03/41/06/192034106.db2.gz PNGXRELLWCXKKJ-VHSXEESVSA-N 2 0 242.367 0.540 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H]([NH3+])C(C)C ZINC000418413075 192034282 /nfs/dbraw/zinc/03/42/82/192034282.db2.gz RQFMIGGENDLNES-MNOVXSKESA-N 2 0 242.367 0.363 20 0 BCADRP [NH3+]C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000418408964 192034499 /nfs/dbraw/zinc/03/44/99/192034499.db2.gz VBRVTOQZQVFGOW-AXFHLTTASA-N 2 0 240.351 0.293 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@H](C)C[NH3+] ZINC000418436848 192035819 /nfs/dbraw/zinc/03/58/19/192035819.db2.gz JKJQRFSFZDTXQK-MRVPVSSYSA-N 2 0 216.329 0.150 20 0 BCADRP C[N@H+](CC(=O)NC[C@@H]1CC[NH+](C)C1)C1CCC1 ZINC000629951714 361800296 /nfs/dbraw/zinc/80/02/96/361800296.db2.gz ZUHUXTXOUKLQCT-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)NCC(C)(C)[NH3+] ZINC000418417812 192035364 /nfs/dbraw/zinc/03/53/64/192035364.db2.gz VPJWEVIGKDCHHD-UHFFFAOYSA-N 2 0 244.383 0.707 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H](C)C[NH3+] ZINC000418438035 192036038 /nfs/dbraw/zinc/03/60/38/192036038.db2.gz IMLZJVZPXUGZSR-UWVGGRQHSA-N 2 0 230.356 0.254 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)NCC(C)(C)[NH3+] ZINC000418437083 192036124 /nfs/dbraw/zinc/03/61/24/192036124.db2.gz XUXJTVJBIPFJRD-UHFFFAOYSA-N 2 0 242.367 0.459 20 0 BCADRP C[N@H+](CC(=O)N[C@H]1CCC[NH+](C)C1)C1CCC1 ZINC000629951140 361795952 /nfs/dbraw/zinc/79/59/52/361795952.db2.gz PTUOQIZPIPDOMG-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000418442636 192036258 /nfs/dbraw/zinc/03/62/58/192036258.db2.gz KEBDSDZYRYHJNE-VHSXEESVSA-N 2 0 230.356 0.493 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NCC1([NH3+])CCC1 ZINC000418445991 192036727 /nfs/dbraw/zinc/03/67/27/192036727.db2.gz YVDOPLVQEIMIMZ-UHFFFAOYSA-N 2 0 242.367 0.685 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418443696 192036629 /nfs/dbraw/zinc/03/66/29/192036629.db2.gz VZGTUMYCSRZEMA-DTWKUNHWSA-N 2 0 230.356 0.539 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC(CC[NH3+])CC1 ZINC000576475559 365606409 /nfs/dbraw/zinc/60/64/09/365606409.db2.gz KNPFXUPDVQNSPR-JTQLQIEISA-N 2 0 239.363 0.714 20 0 BCADRP CCCCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576481322 365608721 /nfs/dbraw/zinc/60/87/21/365608721.db2.gz UQGGAWDEWWEOBX-MNOVXSKESA-N 2 0 225.336 0.420 20 0 BCADRP CC1(C)NC(=O)CC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000576507385 365612234 /nfs/dbraw/zinc/61/22/34/365612234.db2.gz LKUHBSRBJFVDQE-GHMZBOCLSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000134102461 398240448 /nfs/dbraw/zinc/24/04/48/398240448.db2.gz QYEVCICQNHDDPN-VHSXEESVSA-N 2 0 239.363 0.713 20 0 BCADRP CO[C@H](C[NH3+])CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000576516377 365614938 /nfs/dbraw/zinc/61/49/38/365614938.db2.gz ANSARJQOZXBVPZ-OUAUKWLOSA-N 2 0 243.351 0.079 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000576515222 365615136 /nfs/dbraw/zinc/61/51/36/365615136.db2.gz FJNZKZDQIUKBAF-OUAUKWLOSA-N 2 0 225.336 0.134 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000576515285 365615224 /nfs/dbraw/zinc/61/52/24/365615224.db2.gz IAXROXQFZMRJJE-BJDJZHNGSA-N 2 0 237.347 0.195 20 0 BCADRP CO[C@H](C[NH3+])CC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000576516378 365615367 /nfs/dbraw/zinc/61/53/67/365615367.db2.gz ANSARJQOZXBVPZ-VWYCJHECSA-N 2 0 243.351 0.079 20 0 BCADRP C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000576576624 365627370 /nfs/dbraw/zinc/62/73/70/365627370.db2.gz GVVDUABVUDPENU-GMXVVIOVSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000061645015 398245600 /nfs/dbraw/zinc/24/56/00/398245600.db2.gz CLKRLHOOUJPSSF-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])C1 ZINC000381283778 398247543 /nfs/dbraw/zinc/24/75/43/398247543.db2.gz YYXZIYHYZXFPNO-NXEZZACHSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000381323177 398251748 /nfs/dbraw/zinc/25/17/48/398251748.db2.gz PQGQHKVOHWNXOF-GXSJLCMTSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000576635280 365644911 /nfs/dbraw/zinc/64/49/11/365644911.db2.gz NTFHPVTYCZDVKH-QWRGUYRKSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H](C)C[NH3+])CC[C@@H]1[NH3+] ZINC000381469690 398253578 /nfs/dbraw/zinc/25/35/78/398253578.db2.gz NUTDATUWDYFBHU-BBBLOLIVSA-N 2 0 213.325 0.167 20 0 BCADRP Cc1nccn1CCC[N@H+](C)CCC[NH3+] ZINC000381459031 398253681 /nfs/dbraw/zinc/25/36/81/398253681.db2.gz KKEWCNPLJUVJNA-UHFFFAOYSA-N 2 0 210.325 0.862 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000220011809 136230520 /nfs/dbraw/zinc/23/05/20/136230520.db2.gz SJWXHBNEDOMPSW-LLVKDONJSA-N 2 0 241.379 0.690 20 0 BCADRP CC[NH2+]CCCNC(=O)N(C)CCC[NH+](C)C ZINC000576688007 365656724 /nfs/dbraw/zinc/65/67/24/365656724.db2.gz LHAPWRMGKGTNNJ-UHFFFAOYSA-N 2 0 244.383 0.579 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000381498110 398257623 /nfs/dbraw/zinc/25/76/23/398257623.db2.gz BREJJZVKSRFEGK-KOLCDFICSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000576701633 365663576 /nfs/dbraw/zinc/66/35/76/365663576.db2.gz LDNWKMHRUQEXEM-IUCAKERBSA-N 2 0 213.325 0.371 20 0 BCADRP C[NH+](C)CCCCNC(=O)CC1(C[NH3+])CC1 ZINC000576706274 365666235 /nfs/dbraw/zinc/66/62/35/365666235.db2.gz HYFNUAHKVOTNGV-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000381462467 398258755 /nfs/dbraw/zinc/25/87/55/398258755.db2.gz LMYAIIPLTZEFNI-IVZWLZJFSA-N 2 0 213.325 0.310 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000381462463 398258762 /nfs/dbraw/zinc/25/87/62/398258762.db2.gz LMYAIIPLTZEFNI-GUBZILKMSA-N 2 0 213.325 0.310 20 0 BCADRP [NH3+]CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000381353271 398254246 /nfs/dbraw/zinc/25/42/46/398254246.db2.gz BVQFJXQHQUZSMF-VIFPVBQESA-N 2 0 227.695 0.415 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CCC[NH2+]CC1)[C@H](C)[NH3+] ZINC000381369845 398254698 /nfs/dbraw/zinc/25/46/98/398254698.db2.gz HFBMLCDEMLIJCB-KXUCPTDWSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000381485724 398259297 /nfs/dbraw/zinc/25/92/97/398259297.db2.gz IGQNWLUSJGLDQN-ZJUUUORDSA-N 2 0 213.325 0.243 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C[C@H]1CC[NH2+]C1 ZINC000381540731 398262434 /nfs/dbraw/zinc/26/24/34/398262434.db2.gz IMBFUBXWYWVDLG-NWDGAFQWSA-N 2 0 213.369 0.901 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)CC1(F)CC1 ZINC000381579481 398264764 /nfs/dbraw/zinc/26/47/64/398264764.db2.gz DVDAMIAWELLESU-UHFFFAOYSA-N 2 0 215.316 0.326 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CCC(C)([NH3+])CC1 ZINC000381584560 398265460 /nfs/dbraw/zinc/26/54/60/398265460.db2.gz BMKGDSNJWOWPEP-UHFFFAOYSA-N 2 0 213.325 0.311 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418479694 192039972 /nfs/dbraw/zinc/03/99/72/192039972.db2.gz AUPQFJGQQJIIJJ-PSASIEDQSA-N 2 0 228.340 0.021 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000130530085 398269325 /nfs/dbraw/zinc/26/93/25/398269325.db2.gz NOBNJLNNGAMAKA-GMTAPVOTSA-N 2 0 227.352 0.713 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000518768168 346828371 /nfs/dbraw/zinc/82/83/71/346828371.db2.gz CPPVTOMCVQJXMM-WDEREUQCSA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+]CCCCC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000378777498 346830083 /nfs/dbraw/zinc/83/00/83/346830083.db2.gz YHWKQUNFXSWVOZ-UHFFFAOYSA-N 2 0 239.363 0.812 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000381750457 398270631 /nfs/dbraw/zinc/27/06/31/398270631.db2.gz QZQTWPCYUUTSGY-UWVGGRQHSA-N 2 0 213.325 0.372 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000602550994 349593028 /nfs/dbraw/zinc/59/30/28/349593028.db2.gz ATEROQYYDIYAPM-GUBZILKMSA-N 2 0 245.392 0.324 20 0 BCADRP C[NH2+]CCC(=O)NC(C)(C)CCC[NH3+] ZINC000378855961 346849782 /nfs/dbraw/zinc/84/97/82/346849782.db2.gz KKGHURJLOKOEJJ-UHFFFAOYSA-N 2 0 201.314 0.230 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H](C)CC[NH3+] ZINC000418485797 192041115 /nfs/dbraw/zinc/04/11/15/192041115.db2.gz DLULTBZWMWFMJX-VIFPVBQESA-N 2 0 216.329 0.023 20 0 BCADRP CCC[NH2+]CCNC(=O)N(C)C1CC([NH3+])C1 ZINC000418485145 192041267 /nfs/dbraw/zinc/04/12/67/192041267.db2.gz CHNKYFDFFSHHDM-UHFFFAOYSA-N 2 0 228.340 0.117 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H](C)CC[NH3+] ZINC000418485795 192040811 /nfs/dbraw/zinc/04/08/11/192040811.db2.gz DLULTBZWMWFMJX-SECBINFHSA-N 2 0 216.329 0.023 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418490491 192041683 /nfs/dbraw/zinc/04/16/83/192041683.db2.gz PVAKFOUOVVZLSB-QWRGUYRKSA-N 2 0 242.367 0.413 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418491286 192041687 /nfs/dbraw/zinc/04/16/87/192041687.db2.gz RRCCCJNWQVARKK-FBIMIBRVSA-N 2 0 240.351 0.021 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418493174 192041738 /nfs/dbraw/zinc/04/17/38/192041738.db2.gz XPRJECFDEFRNSR-GHMZBOCLSA-N 2 0 242.367 0.283 20 0 BCADRP CCC[NH2+]CCNC(=O)NCC[NH2+]CCC ZINC000418491690 192041740 /nfs/dbraw/zinc/04/17/40/192041740.db2.gz SPSZCYRKZJEAAC-UHFFFAOYSA-N 2 0 230.356 0.285 20 0 BCADRP CCC[NH2+]CCNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000418493547 192042028 /nfs/dbraw/zinc/04/20/28/192042028.db2.gz YSHKHDJSAKCTOU-MNOVXSKESA-N 2 0 242.367 0.378 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000131905427 342698862 /nfs/dbraw/zinc/69/88/62/342698862.db2.gz HMVGDKSVGVVNDK-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000131905277 342698981 /nfs/dbraw/zinc/69/89/81/342698981.db2.gz HMVGDKSVGVVNDK-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000418494036 192042092 /nfs/dbraw/zinc/04/20/92/192042092.db2.gz RQKVIUKETDJDCV-AXFHLTTASA-N 2 0 242.367 0.350 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000418494037 192042095 /nfs/dbraw/zinc/04/20/95/192042095.db2.gz RQKVIUKETDJDCV-GMTAPVOTSA-N 2 0 242.367 0.350 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N@H+](C)C1CC1 ZINC000165436450 361840816 /nfs/dbraw/zinc/84/08/16/361840816.db2.gz KEDFNDNBRSLJEN-RKDXNWHRSA-N 2 0 213.325 0.180 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000165422595 361841057 /nfs/dbraw/zinc/84/10/57/361841057.db2.gz OFOAUTAFIAEXLA-DTWKUNHWSA-N 2 0 201.314 0.038 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000418496533 192042414 /nfs/dbraw/zinc/04/24/14/192042414.db2.gz VKFSXLJWSATHSC-WDEREUQCSA-N 2 0 242.367 0.317 20 0 BCADRP [NH3+]C1(c2noc([C@H]3CCC[NH2+]3)n2)CCC1 ZINC000309588883 342716731 /nfs/dbraw/zinc/71/67/31/342716731.db2.gz XVPWIKNZVRYZIE-SSDOTTSWSA-N 2 0 208.265 0.832 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000381852375 398279198 /nfs/dbraw/zinc/27/91/98/398279198.db2.gz TWISESGBUKGGFS-NEPJUHHUSA-N 2 0 211.353 0.527 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)[NH3+] ZINC000167325009 361863625 /nfs/dbraw/zinc/86/36/25/361863625.db2.gz BCJDSSFXBIFODY-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]1CN(C(=O)NCC[NH3+])CC[N@@H+](C2CC2)C1 ZINC000335610446 136236711 /nfs/dbraw/zinc/23/67/11/136236711.db2.gz XMHKFIXKTRJXRL-JTQLQIEISA-N 2 0 240.351 0.071 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC[NH2+]1 ZINC000335604344 136236020 /nfs/dbraw/zinc/23/60/20/136236020.db2.gz DOZYRUVQRMWWSF-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[C@@H](C(=O)NC1CC[NH+](C)CC1)[C@@H](C)[NH3+] ZINC000399628576 342739537 /nfs/dbraw/zinc/73/95/37/342739537.db2.gz FIXKPTGQTRLGNN-ZYHUDNBSSA-N 2 0 241.379 0.816 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@H](C[NH3+])C(C)(C)C)CC1 ZINC000518192777 398284406 /nfs/dbraw/zinc/28/44/06/398284406.db2.gz QNJCXQIDKSRZCU-LLVKDONJSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000418450564 192042723 /nfs/dbraw/zinc/04/27/23/192042723.db2.gz UZTXHQZXGIHRQE-MNOVXSKESA-N 2 0 242.367 0.363 20 0 BCADRP C[NH+](C)C1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC000629990479 361877083 /nfs/dbraw/zinc/87/70/83/361877083.db2.gz UKZQUJWVMGEEON-UHFFFAOYSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H](C)C[NH3+] ZINC000418451578 192042839 /nfs/dbraw/zinc/04/28/39/192042839.db2.gz WCLYCOHACLEOJC-BDAKNGLRSA-N 2 0 216.329 0.006 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)NCC1([NH3+])CCC1 ZINC000418452883 192042953 /nfs/dbraw/zinc/04/29/53/192042953.db2.gz XRMVMCNXMUXNMY-SNVBAGLBSA-N 2 0 242.367 0.540 20 0 BCADRP C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCC1 ZINC000630000595 361886482 /nfs/dbraw/zinc/88/64/82/361886482.db2.gz MOCNSTYFWIOZFK-LLVKDONJSA-N 2 0 239.363 0.729 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000418450310 192043241 /nfs/dbraw/zinc/04/32/41/192043241.db2.gz TWJNSGCHIWHFDN-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000418451599 192043284 /nfs/dbraw/zinc/04/32/84/192043284.db2.gz WEZXVKZVDNQGQM-DCAQKATOSA-N 2 0 242.367 0.491 20 0 BCADRP C[C@H](C[NH3+])NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418507760 192044551 /nfs/dbraw/zinc/04/45/51/192044551.db2.gz BWTHYSYCEKBAHC-GMTAPVOTSA-N 2 0 242.367 0.398 20 0 BCADRP C[C@H](C[NH3+])NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418507885 192044608 /nfs/dbraw/zinc/04/46/08/192044608.db2.gz CHTGYWYKRGSXNE-ZJUUUORDSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CC[NH2+]CC1 ZINC000630047877 361916135 /nfs/dbraw/zinc/91/61/35/361916135.db2.gz KCVDNJKZJQRBND-KOLCDFICSA-N 2 0 240.351 0.036 20 0 BCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH3+])C1 ZINC000335438628 398288248 /nfs/dbraw/zinc/28/82/48/398288248.db2.gz TUYJVEMXPNLSOC-GHMZBOCLSA-N 2 0 225.336 0.278 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000418513375 192045790 /nfs/dbraw/zinc/04/57/90/192045790.db2.gz MVNHAXXLMYEEHA-SNVBAGLBSA-N 2 0 242.367 0.459 20 0 BCADRP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000335464329 398288982 /nfs/dbraw/zinc/28/89/82/398288982.db2.gz POCMGONIRKZXPT-NSHDSACASA-N 2 0 223.320 0.045 20 0 BCADRP Cc1c[nH+]ccc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000624778153 342828119 /nfs/dbraw/zinc/82/81/19/342828119.db2.gz XKVMINHQMFJBRU-NSHDSACASA-N 2 0 221.304 0.290 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335681815 398292891 /nfs/dbraw/zinc/29/28/91/398292891.db2.gz ZNLUDLQURXUBOH-DGCLKSJQSA-N 2 0 239.363 0.572 20 0 BCADRP C[N@@H+](Cc1cn[nH]c1)CC1CC[NH2+]CC1 ZINC000379864744 538980967 /nfs/dbraw/zinc/98/09/67/538980967.db2.gz NPLBKVHPJSFINJ-UHFFFAOYSA-N 2 0 208.309 0.841 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)N[C@@H](C)CC[NH3+] ZINC000417818952 398293844 /nfs/dbraw/zinc/29/38/44/398293844.db2.gz SURCBQOUXAMJRQ-NSHDSACASA-N 2 0 244.383 0.755 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)NC(C)(C)C[NH3+] ZINC000417820338 398294083 /nfs/dbraw/zinc/29/40/83/398294083.db2.gz USNDIBQGGJNFOU-UHFFFAOYSA-N 2 0 244.383 0.755 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)NC[C@H](C)C[NH3+] ZINC000417822336 398294463 /nfs/dbraw/zinc/29/44/63/398294463.db2.gz WXYATDDMMVQYJU-LLVKDONJSA-N 2 0 244.383 0.612 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000417823695 398294540 /nfs/dbraw/zinc/29/45/40/398294540.db2.gz ZDEMSGQRNJLQNW-SKDRFNHKSA-N 2 0 225.336 0.372 20 0 BCADRP Cn1ccc(C[N@H+](C)CCC[NH3+])cc1=O ZINC000381995888 398294920 /nfs/dbraw/zinc/29/49/20/398294920.db2.gz XQYYMHXBKNPUIH-UHFFFAOYSA-N 2 0 209.293 0.166 20 0 BCADRP CCCN(C(=O)N[C@H](C)CC[NH3+])[C@H]1CC[NH2+]C1 ZINC000418518706 192046953 /nfs/dbraw/zinc/04/69/53/192046953.db2.gz FUTWLKKXGAYSBO-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP CC[NH+]1CCN(CCC[NH2+]C2CSC2)CC1 ZINC000390431957 539021793 /nfs/dbraw/zinc/02/17/93/539021793.db2.gz PXCPRLPJFYJNJS-UHFFFAOYSA-N 2 0 243.420 0.719 20 0 BCADRP C[C@@H]1C[C@H](C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000390618670 539026623 /nfs/dbraw/zinc/02/66/23/539026623.db2.gz HRVZOCJCULIFPX-NDBYEHHHSA-N 2 0 224.348 0.953 20 0 BCADRP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000087646623 259325289 /nfs/dbraw/zinc/32/52/89/259325289.db2.gz LALQJOHYSQZCDC-NEPJUHHUSA-N 2 0 222.336 0.861 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000418527405 192047581 /nfs/dbraw/zinc/04/75/81/192047581.db2.gz OEMYFOYDXJGMGH-NSHDSACASA-N 2 0 242.367 0.459 20 0 BCADRP Cc1nc[nH]c1CNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000380229870 346867738 /nfs/dbraw/zinc/86/77/38/346867738.db2.gz QGJCATWRXKVUDO-IONNQARKSA-N 2 0 222.292 0.332 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418533745 192048808 /nfs/dbraw/zinc/04/88/08/192048808.db2.gz WACODDPVKFBIIY-BBBLOLIVSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418534848 192048835 /nfs/dbraw/zinc/04/88/35/192048835.db2.gz XWHJBZMQLLNFGW-KOLCDFICSA-N 2 0 242.367 0.540 20 0 BCADRP CCO[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000625096996 342852211 /nfs/dbraw/zinc/85/22/11/342852211.db2.gz IBHZEOMKLHLXTG-JHJVBQTASA-N 2 0 224.348 0.953 20 0 BCADRP CC[NH+](CC)CCCNC(=O)C1(C)C[NH2+]C1 ZINC000399160626 398303885 /nfs/dbraw/zinc/30/38/85/398303885.db2.gz AACIAAFVLRZPBU-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@H]1CCC[NH2+]1 ZINC000382113207 398305904 /nfs/dbraw/zinc/30/59/04/398305904.db2.gz LFFFVVCWDZPWSD-SECBINFHSA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418543613 192049678 /nfs/dbraw/zinc/04/96/78/192049678.db2.gz PDAJJCSPVCPTKX-CMPLNLGQSA-N 2 0 242.367 0.413 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418543619 192049437 /nfs/dbraw/zinc/04/94/37/192049437.db2.gz PDAJJCSPVCPTKX-ZYHUDNBSSA-N 2 0 242.367 0.413 20 0 BCADRP CC[NH+](CC)CCCNC(=O)C[NH2+]C(C)C ZINC000037477074 488185676 /nfs/dbraw/zinc/18/56/76/488185676.db2.gz LYSDFFAMMYOHTL-UHFFFAOYSA-N 2 0 229.368 0.833 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000418550943 192050021 /nfs/dbraw/zinc/05/00/21/192050021.db2.gz ARVRMNNLUGNMAA-GMTAPVOTSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000309775160 342894701 /nfs/dbraw/zinc/89/47/01/342894701.db2.gz LMYWJEVHMOSVDP-GUBZILKMSA-N 2 0 213.325 0.310 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000167340295 136245695 /nfs/dbraw/zinc/24/56/95/136245695.db2.gz BHULJQABRSTKKV-WPRPVWTQSA-N 2 0 213.325 0.323 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000418554745 192050294 /nfs/dbraw/zinc/05/02/94/192050294.db2.gz VUUFSOCMILMYTH-HBNTYKKESA-N 2 0 240.351 0.308 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418558591 192050314 /nfs/dbraw/zinc/05/03/14/192050314.db2.gz BWTHYSYCEKBAHC-DCAQKATOSA-N 2 0 242.367 0.398 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000309744634 398323002 /nfs/dbraw/zinc/32/30/02/398323002.db2.gz FEJCEYJZEIBGME-UWVGGRQHSA-N 2 0 215.341 0.459 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418567886 192051536 /nfs/dbraw/zinc/05/15/36/192051536.db2.gz GVTOXASMNQTDSO-MXWKQRLJSA-N 2 0 242.367 0.282 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418571588 192052281 /nfs/dbraw/zinc/05/22/81/192052281.db2.gz DOORDZFGUGIXJU-AEJSXWLSSA-N 2 0 228.340 0.293 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H](C)C[NH3+] ZINC000418573076 192052362 /nfs/dbraw/zinc/05/23/62/192052362.db2.gz UBGVYBXIVAXOBR-IVZWLZJFSA-N 2 0 228.340 0.245 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418580097 192052591 /nfs/dbraw/zinc/05/25/91/192052591.db2.gz SHXLCCBGQRPWNT-LPEHRKFASA-N 2 0 228.340 0.021 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418579570 192053081 /nfs/dbraw/zinc/05/30/81/192053081.db2.gz RMXZNSYQLIHHFV-KATARQTJSA-N 2 0 228.340 0.019 20 0 BCADRP C[NH+](C)Cc1cccc(NC(=O)C[NH3+])c1 ZINC000037019486 342916101 /nfs/dbraw/zinc/91/61/01/342916101.db2.gz WMMZIQLMPVLZQK-UHFFFAOYSA-N 2 0 207.277 0.645 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418580098 192052937 /nfs/dbraw/zinc/05/29/37/192052937.db2.gz SHXLCCBGQRPWNT-UTLUCORTSA-N 2 0 228.340 0.021 20 0 BCADRP [NH3+]Cc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000116596786 342929598 /nfs/dbraw/zinc/92/95/98/342929598.db2.gz KTRPWDOWILGOPG-UHFFFAOYSA-N 3 0 219.332 0.987 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418587983 192053301 /nfs/dbraw/zinc/05/33/01/192053301.db2.gz HKILBIYLKISUCM-KOLCDFICSA-N 2 0 242.367 0.493 20 0 BCADRP CC[N@@H+]1C[C@@H](C)N(C(=O)N[C@@H](C)C[NH3+])C[C@@H]1C ZINC000418583832 192053381 /nfs/dbraw/zinc/05/33/81/192053381.db2.gz ATXJBCXALGQJGT-GARJFASQSA-N 2 0 242.367 0.458 20 0 BCADRP C[NH+](C)C1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000037477010 398327627 /nfs/dbraw/zinc/32/76/27/398327627.db2.gz NPIVYGSXPSJJCE-UHFFFAOYSA-N 2 0 225.336 0.291 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000418599375 192054345 /nfs/dbraw/zinc/05/43/45/192054345.db2.gz HNWCFVJSJLVIAV-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000164995605 529441342 /nfs/dbraw/zinc/44/13/42/529441342.db2.gz QOYNFWIKKGVYEU-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000164995741 529441852 /nfs/dbraw/zinc/44/18/52/529441852.db2.gz QOYNFWIKKGVYEU-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP CC[NH+](CC)CCNC(=O)CCC[NH2+]C ZINC000037477498 342936198 /nfs/dbraw/zinc/93/61/98/342936198.db2.gz JGNAZERTEVPBRZ-UHFFFAOYSA-N 2 0 215.341 0.444 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000574808602 398338757 /nfs/dbraw/zinc/33/87/57/398338757.db2.gz IZVRFQRRUIODTJ-WOPDTQHZSA-N 2 0 239.363 0.429 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000037616059 398332613 /nfs/dbraw/zinc/33/26/13/398332613.db2.gz OFKKFRAXBJHXOV-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP COC[C@H](C)C[N@H+](CCO)C1CCN(C)CC1 ZINC000189502645 346891174 /nfs/dbraw/zinc/89/11/74/346891174.db2.gz KXYQDTRRIRYPDK-GFCCVEGCSA-N 2 0 244.379 0.657 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000381462455 398344268 /nfs/dbraw/zinc/34/42/68/398344268.db2.gz LMYAIIPLTZEFNI-AEJSXWLSSA-N 2 0 213.325 0.310 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000418608780 192056256 /nfs/dbraw/zinc/05/62/56/192056256.db2.gz ZAZDHOKVJNOINI-OUAUKWLOSA-N 2 0 242.367 0.363 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351769720 136253289 /nfs/dbraw/zinc/25/32/89/136253289.db2.gz LFMOBWAIINOQMC-MMWGEVLESA-N 2 0 227.352 0.556 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334156076 187205656 /nfs/dbraw/zinc/20/56/56/187205656.db2.gz XKCYHARKZLFPSG-WCQYABFASA-N 2 0 239.363 0.572 20 0 BCADRP CCC[C@@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000233279646 259335033 /nfs/dbraw/zinc/33/50/33/259335033.db2.gz NQTPMVPGGNWYQU-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)[C@@H](C)C[NH2+]1 ZINC000356343316 187212590 /nfs/dbraw/zinc/21/25/90/187212590.db2.gz JYIKJYCETVDRBY-OUAUKWLOSA-N 2 0 225.336 0.337 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1)[NH+](C)C ZINC000359384741 187216951 /nfs/dbraw/zinc/21/69/51/187216951.db2.gz SNZDQINYYSFLMC-SDDRHHMPSA-N 2 0 239.363 0.250 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000418625552 192058065 /nfs/dbraw/zinc/05/80/65/192058065.db2.gz JFLUZXSKCFCLJO-HBNTYKKESA-N 2 0 242.367 0.363 20 0 BCADRP C[NH2+]CCCN1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000309495054 259343510 /nfs/dbraw/zinc/34/35/10/259343510.db2.gz TUVAQYCYRLLPFI-WDEREUQCSA-N 2 0 215.341 0.034 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+](C)C ZINC000368684621 187221232 /nfs/dbraw/zinc/22/12/32/187221232.db2.gz VQQHJUPZLJZYOE-QWRGUYRKSA-N 2 0 227.352 0.298 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000309517935 259343194 /nfs/dbraw/zinc/34/31/94/259343194.db2.gz ZFXBJSUTSICTDJ-VHSXEESVSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@H]([NH3+])[C@H](C)c1nc(C2([NH3+])CCC2)no1 ZINC000309448996 259343338 /nfs/dbraw/zinc/34/33/38/259343338.db2.gz MCVOOEQMLGXDTB-BQBZGAKWSA-N 2 0 210.281 0.858 20 0 BCADRP CC(=O)NCCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000377390498 187225543 /nfs/dbraw/zinc/22/55/43/187225543.db2.gz JVSMREPSQNGFOH-CYBMUJFWSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N2CCC[NH2+]CC2)CC[NH2+]1 ZINC000235682662 343055341 /nfs/dbraw/zinc/05/53/41/343055341.db2.gz UZURUDDMXOKOMN-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000449471668 259349424 /nfs/dbraw/zinc/34/94/24/259349424.db2.gz DBABZUBKGDLVSS-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000236614518 343103976 /nfs/dbraw/zinc/10/39/76/343103976.db2.gz LAWBKDNYCZMUEC-GFCCVEGCSA-N 2 0 247.342 0.727 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000236649537 343105512 /nfs/dbraw/zinc/10/55/12/343105512.db2.gz TXFKHYQAZRRMQC-MNOVXSKESA-N 2 0 227.352 0.557 20 0 BCADRP C[NH2+]CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000237095518 343122844 /nfs/dbraw/zinc/12/28/44/343122844.db2.gz OXPGCVZGZXLHKG-UHFFFAOYSA-N 2 0 207.277 0.095 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC([NH2+]C)CC1 ZINC000236887992 343113679 /nfs/dbraw/zinc/11/36/79/343113679.db2.gz WGBLTYXHJDEVSR-KOLCDFICSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000236992099 343116851 /nfs/dbraw/zinc/11/68/51/343116851.db2.gz FHEJBGDVJXVLPT-NSHDSACASA-N 2 0 241.379 0.690 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000092956348 343150234 /nfs/dbraw/zinc/15/02/34/343150234.db2.gz KGDFTQXJXFQISV-SRVKXCTJSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000576877091 365711118 /nfs/dbraw/zinc/71/11/18/365711118.db2.gz YVHJFEYKHVZFJR-NAKRPEOUSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000092949841 343148794 /nfs/dbraw/zinc/14/87/94/343148794.db2.gz PQDZXODDABFSBV-MNOVXSKESA-N 2 0 241.379 0.688 20 0 BCADRP CC[C@]1(C(=O)N[C@H](C)C[C@@H](C)[NH3+])CCC[NH2+]1 ZINC000576876140 365711318 /nfs/dbraw/zinc/71/13/18/365711318.db2.gz LUAOTGLXANSKRG-CKYFFXLPSA-N 2 0 227.352 0.761 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000092951302 343149037 /nfs/dbraw/zinc/14/90/37/343149037.db2.gz JZOGJTBTDZLWDP-RYUDHWBXSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000237160776 343127499 /nfs/dbraw/zinc/12/74/99/343127499.db2.gz SPUMCBQZCAJMGV-ZJUUUORDSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000237159540 343127769 /nfs/dbraw/zinc/12/77/69/343127769.db2.gz SPUMCBQZCAJMGV-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000237291061 343132073 /nfs/dbraw/zinc/13/20/73/343132073.db2.gz OTVQLBQILOKHLS-AXFHLTTASA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CCC[NH3+] ZINC000237338000 343134956 /nfs/dbraw/zinc/13/49/56/343134956.db2.gz XBTSNNXLJDKEPT-ZJUUUORDSA-N 2 0 213.325 0.454 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000092956241 343149940 /nfs/dbraw/zinc/14/99/40/343149940.db2.gz HTCKKOVSIDOEPS-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CN(Cc1nccn1C)C(=O)c1c[nH+]ccc1N ZINC000127687923 343178466 /nfs/dbraw/zinc/17/84/66/343178466.db2.gz ZQGPZYQDJNFNEC-UHFFFAOYSA-N 2 0 245.286 0.670 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)CC1(C[NH3+])CC1)C1CC1 ZINC000576937016 365725779 /nfs/dbraw/zinc/72/57/79/365725779.db2.gz UJSLLVPERFTZIO-NSHDSACASA-N 2 0 225.336 0.359 20 0 BCADRP C[NH2+]CCN(C)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000131169148 343183404 /nfs/dbraw/zinc/18/34/04/343183404.db2.gz QJFVOPPEYPJUKA-UHFFFAOYSA-N 2 0 233.315 0.581 20 0 BCADRP CN1CCN(C)[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000093216157 343151135 /nfs/dbraw/zinc/15/11/35/343151135.db2.gz SKLUKIFSVJSGGH-YNEHKIRRSA-N 2 0 240.395 0.092 20 0 BCADRP C[C@H](CC(=O)NCCC[NH3+])C1CC[NH2+]CC1 ZINC000237620397 343158964 /nfs/dbraw/zinc/15/89/64/343158964.db2.gz VJLCZRNNDASSKD-SNVBAGLBSA-N 2 0 227.352 0.477 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)NC1CCCC1 ZINC000124586164 343163212 /nfs/dbraw/zinc/16/32/12/343163212.db2.gz ZYAIFNHCVWWOKP-MNOVXSKESA-N 2 0 239.363 0.857 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000125166356 343165852 /nfs/dbraw/zinc/16/58/52/343165852.db2.gz XCZRFLSJECLGJC-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]([NH3+])C1)[NH+]1CCCCCC1 ZINC000237468901 136272310 /nfs/dbraw/zinc/27/23/10/136272310.db2.gz KDKMAJQKHGVSEF-RYUDHWBXSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCN1CCOCC1 ZINC000133614761 343185545 /nfs/dbraw/zinc/18/55/45/343185545.db2.gz NBGRMQFBHCHYAC-VXGBXAGGSA-N 2 0 227.352 0.130 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000148069856 343196094 /nfs/dbraw/zinc/19/60/94/343196094.db2.gz WZRWVNJSNBQBJM-LLVKDONJSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC[NH+]1CCCCCC1 ZINC000156740519 343199015 /nfs/dbraw/zinc/19/90/15/343199015.db2.gz KKXFUMLQMSVJDM-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH+]1CCC(CNC(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000156858045 343199182 /nfs/dbraw/zinc/19/91/82/343199182.db2.gz JJVPNEFXZCUFHU-QWRGUYRKSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H](CNC(=O)C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC000161051015 343204112 /nfs/dbraw/zinc/20/41/12/343204112.db2.gz IIKKXGGJSNUQEH-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1CC[N@H+](CCN2CCOCC2)C[C@@H]1C[NH3+] ZINC000167779760 343209545 /nfs/dbraw/zinc/20/95/45/343209545.db2.gz PTKYRODKOMMLAX-STQMWFEESA-N 2 0 241.379 0.235 20 0 BCADRP C[C@@H]1CC[N@H+](CCN2CCOCC2)C[C@@H]1C[NH3+] ZINC000167779641 343209618 /nfs/dbraw/zinc/20/96/18/343209618.db2.gz PTKYRODKOMMLAX-OLZOCXBDSA-N 2 0 241.379 0.235 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000168554453 343210551 /nfs/dbraw/zinc/21/05/51/343210551.db2.gz JGYQQNHSPUJMFZ-LPEHRKFASA-N 2 0 213.325 0.132 20 0 BCADRP [NH3+][C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000237820346 343213486 /nfs/dbraw/zinc/21/34/86/343213486.db2.gz MJWYVHWKDZCNHI-DGCLKSJQSA-N 2 0 247.342 0.802 20 0 BCADRP CC(=O)NCC[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000569723312 323038731 /nfs/dbraw/zinc/03/87/31/323038731.db2.gz JDTGUVBDJCIVHO-CMPLNLGQSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C1([NH3+])CCCC1 ZINC000087471663 136281413 /nfs/dbraw/zinc/28/14/13/136281413.db2.gz WKEAVSXSRVMOMT-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H](C[NH3+])C(C)C ZINC000087471808 136281525 /nfs/dbraw/zinc/28/15/25/136281525.db2.gz VEAKJKLATDPUNL-JTQLQIEISA-N 2 0 215.341 0.285 20 0 BCADRP O=C(CC[C@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000043589531 343230223 /nfs/dbraw/zinc/23/02/23/343230223.db2.gz VXNRLHCJGXUYCP-LLVKDONJSA-N 2 0 225.336 0.198 20 0 BCADRP CC1(C)C[C@@H]([NH2+]CCN2CC[C@H](O)C2)CCO1 ZINC000634687073 343235791 /nfs/dbraw/zinc/23/57/91/343235791.db2.gz XPXOPZRSQHTPNH-RYUDHWBXSA-N 2 0 242.363 0.600 20 0 BCADRP C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000634687832 343245126 /nfs/dbraw/zinc/24/51/26/343245126.db2.gz ANCVDNZUFBWRJL-RWMBFGLXSA-N 2 0 224.348 0.954 20 0 BCADRP C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000634687833 343245162 /nfs/dbraw/zinc/24/51/62/343245162.db2.gz ANCVDNZUFBWRJL-UPJWGTAASA-N 2 0 224.348 0.954 20 0 BCADRP C[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1C[NH3+] ZINC000634688255 343246553 /nfs/dbraw/zinc/24/65/53/343246553.db2.gz NGNWUBDIBMRLQA-GHMZBOCLSA-N 2 0 222.336 0.489 20 0 BCADRP C[C@H]1CC[C@@H](C[NH2+]C2(CO)CC[NH2+]CC2)O1 ZINC000634688311 343247092 /nfs/dbraw/zinc/24/70/92/343247092.db2.gz PBLYUSRGQZSHNI-QWRGUYRKSA-N 2 0 228.336 0.258 20 0 BCADRP C[C@@H]1CC[C@@H](CN2CC[C@@H](F)[C@H]([NH3+])C2)O1 ZINC000634688505 343248110 /nfs/dbraw/zinc/24/81/10/343248110.db2.gz UYZJLMXDHRAYQW-LMLFDSFASA-N 2 0 216.300 0.925 20 0 BCADRP CC(C)[NH+](CCNC(=O)CCC[NH3+])C(C)C ZINC000019473163 343249520 /nfs/dbraw/zinc/24/95/20/343249520.db2.gz DMXZQSDWPXOYRJ-UHFFFAOYSA-N 2 0 229.368 0.960 20 0 BCADRP CCCC[C@H](C(=O)OC)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000608991199 343252938 /nfs/dbraw/zinc/25/29/38/343252938.db2.gz LHFKTZHDUVEXOV-IJLUTSLNSA-N 2 0 240.347 0.869 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000121548197 343267550 /nfs/dbraw/zinc/26/75/50/343267550.db2.gz OLZCKSFCGNGJSM-LLVKDONJSA-N 2 0 241.379 0.738 20 0 BCADRP [NH3+]CCOCCN1CC[C@@H](C[NH3+])c2ccccc21 ZINC000634690532 343275918 /nfs/dbraw/zinc/27/59/18/343275918.db2.gz NAULSCXWGSDCRT-LBPRGKRZSA-N 2 0 249.358 0.914 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000038089243 187254869 /nfs/dbraw/zinc/25/48/69/187254869.db2.gz QMZHSJOYNSSBNM-VHSXEESVSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000069839431 343292444 /nfs/dbraw/zinc/29/24/44/343292444.db2.gz CJQUYKZSRQOZAG-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000069839434 343292509 /nfs/dbraw/zinc/29/25/09/343292509.db2.gz CJQUYKZSRQOZAG-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC000584055646 343307800 /nfs/dbraw/zinc/30/78/00/343307800.db2.gz LQRAYSXHOKRCLW-PHIMTYICSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NCCC[NH2+]C2CC2)C1 ZINC000584064140 343313017 /nfs/dbraw/zinc/31/30/17/343313017.db2.gz PUGQKCGSJGGZFK-ZYHUDNBSSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000335615530 136295946 /nfs/dbraw/zinc/29/59/46/136295946.db2.gz BJGCKBYZEOPWGL-SNVBAGLBSA-N 2 0 240.351 0.213 20 0 BCADRP CC1(C)CN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000335627373 136299956 /nfs/dbraw/zinc/29/99/56/136299956.db2.gz QIWSIXKHFBRYBI-ZDUSSCGKSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000151365081 343368094 /nfs/dbraw/zinc/36/80/94/343368094.db2.gz AKUHEYWUWKIJOO-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H](CNC(=O)[C@@H]([NH3+])Cc1ccccc1)[NH+](C)C ZINC000038089227 343370386 /nfs/dbraw/zinc/37/03/86/343370386.db2.gz LCGLZGUTFIYPSW-YPMHNXCESA-N 2 0 249.358 0.623 20 0 BCADRP C[C@@H]([NH3+])CC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000335652798 136305486 /nfs/dbraw/zinc/30/54/86/136305486.db2.gz BDETYYSGJJXVQC-MRVPVSSYSA-N 2 0 219.288 0.966 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCCCC[NH3+] ZINC000569843918 323042660 /nfs/dbraw/zinc/04/26/60/323042660.db2.gz ZOMBPAKULYZFDP-GFCCVEGCSA-N 2 0 235.331 0.850 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000569868310 323043228 /nfs/dbraw/zinc/04/32/28/323043228.db2.gz ALJZGBADGAXYGA-UHFFFAOYSA-N 2 0 215.341 0.428 20 0 BCADRP C[C@H]([NH3+])CC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000335652799 136305863 /nfs/dbraw/zinc/30/58/63/136305863.db2.gz BDETYYSGJJXVQC-QMMMGPOBSA-N 2 0 219.288 0.966 20 0 BCADRP C[C@H]1CCN(C(=O)C(C)(C)[NH3+])C[C@H]1C[NH3+] ZINC000335659229 136307408 /nfs/dbraw/zinc/30/74/08/136307408.db2.gz ZPBCBSUDAOQPSI-DTWKUNHWSA-N 2 0 213.325 0.167 20 0 BCADRP C[NH2+]CC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000335641829 136308442 /nfs/dbraw/zinc/30/84/42/136308442.db2.gz VWXGVNCJIYOOIS-LBPRGKRZSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]CC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000335641828 136308463 /nfs/dbraw/zinc/30/84/63/136308463.db2.gz VWXGVNCJIYOOIS-GFCCVEGCSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C[NH+](C)C)CC[N@@H+]1C ZINC000335687494 136323875 /nfs/dbraw/zinc/32/38/75/136323875.db2.gz AIJRADXBQLFFAG-UWVGGRQHSA-N 2 0 213.325 0.147 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C[NH3+])c1ccccc1 ZINC000040432178 343402974 /nfs/dbraw/zinc/40/29/74/343402974.db2.gz ZDTNJRIXLGKVPC-LLVKDONJSA-N 2 0 221.304 0.364 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000082419861 343440781 /nfs/dbraw/zinc/44/07/81/343440781.db2.gz RJZNSPMAGCBQSP-GFCCVEGCSA-N 2 0 212.337 0.954 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335734678 136349736 /nfs/dbraw/zinc/34/97/36/136349736.db2.gz VIYOYWKXGVTUJH-YPMHNXCESA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000335700528 136334073 /nfs/dbraw/zinc/33/40/73/136334073.db2.gz WZZXFCXJZKXCCG-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCCO)C1 ZINC000350244463 136357079 /nfs/dbraw/zinc/35/70/79/136357079.db2.gz CWZNMNXJZOGROW-CYBMUJFWSA-N 2 0 244.379 0.802 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000310344640 343451278 /nfs/dbraw/zinc/45/12/78/343451278.db2.gz DWWSXALQQNPCNV-IUCAKERBSA-N 2 0 249.305 0.522 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000576986888 365744560 /nfs/dbraw/zinc/74/45/60/365744560.db2.gz ZDHJYLKGCLHIDD-WDEREUQCSA-N 2 0 227.352 0.490 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)CO)[C@H](C)C1 ZINC000166822259 136364304 /nfs/dbraw/zinc/36/43/04/136364304.db2.gz AMSMNRKEOMHBLC-UTUOFQBUSA-N 2 0 214.353 0.935 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000167466588 136370630 /nfs/dbraw/zinc/37/06/30/136370630.db2.gz IATKBIPGRJJALH-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC1(C)CC[NH2+]CC1 ZINC000576988667 365746041 /nfs/dbraw/zinc/74/60/41/365746041.db2.gz AZGNELWHIXBGOW-VHSXEESVSA-N 2 0 225.336 0.243 20 0 BCADRP COC(=O)[C@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000260219625 136374257 /nfs/dbraw/zinc/37/42/57/136374257.db2.gz VZGYLIOQWPEORO-NWDGAFQWSA-N 2 0 240.347 0.966 20 0 BCADRP COC(=O)[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000082475161 343444259 /nfs/dbraw/zinc/44/42/59/343444259.db2.gz HUMJUWSRJKZRDS-RKDXNWHRSA-N 2 0 214.309 0.607 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000616489345 343475967 /nfs/dbraw/zinc/47/59/67/343475967.db2.gz YFZUQSKEEZXEPE-SRVKXCTJSA-N 2 0 241.379 0.783 20 0 BCADRP Cc1nccn1CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000310394026 343469475 /nfs/dbraw/zinc/46/94/75/343469475.db2.gz HABSWZPYLAREHV-LBPRGKRZSA-N 2 0 236.319 0.450 20 0 BCADRP CC[NH+]1CCC([NH2+]CC[C@H](C)O)CC1 ZINC000082992884 343470212 /nfs/dbraw/zinc/47/02/12/343470212.db2.gz WLCHPDYZRAQBTO-JTQLQIEISA-N 2 0 200.326 0.831 20 0 BCADRP C(C[N@@H+]1CCO[C@@H]2CCC[C@H]21)N1CC[NH2+]CC1 ZINC000043427992 343471091 /nfs/dbraw/zinc/47/10/91/343471091.db2.gz PFQVVSKRPSYPQJ-CHWSQXEVSA-N 2 0 239.363 0.145 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC)C[C@@H]1C ZINC000310486445 343509806 /nfs/dbraw/zinc/50/98/06/343509806.db2.gz DZZIUBSZTOJVJC-AVGNSLFASA-N 2 0 244.379 0.798 20 0 BCADRP C[NH2+]CC1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000152302618 343528452 /nfs/dbraw/zinc/52/84/52/343528452.db2.gz LIMXWWVVDQLUTK-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000580554697 365760118 /nfs/dbraw/zinc/76/01/18/365760118.db2.gz YACSWJVKTPQRRB-JTQLQIEISA-N 2 0 239.363 0.620 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000084420020 343530527 /nfs/dbraw/zinc/53/05/27/343530527.db2.gz LPRDYPCPWVKSST-NXEZZACHSA-N 2 0 213.325 0.276 20 0 BCADRP C[NH+](C)CCC[NH2+]C[C@@H]1CCCOC1 ZINC000084718500 343535872 /nfs/dbraw/zinc/53/58/72/343535872.db2.gz HOAQKJQYLBOAQD-NSHDSACASA-N 2 0 200.326 0.954 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000580560672 365764391 /nfs/dbraw/zinc/76/43/91/365764391.db2.gz RTCKIRRXNWXCLE-QCNOEVLYSA-N 2 0 237.347 0.052 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000580560550 365764523 /nfs/dbraw/zinc/76/45/23/365764523.db2.gz LFENLKKDWXUNFD-VXGBXAGGSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2cn[nH]c2)C1 ZINC000379585168 343577670 /nfs/dbraw/zinc/57/76/70/343577670.db2.gz XPGYOKJUCCUYEO-QWRGUYRKSA-N 2 0 208.309 0.812 20 0 BCADRP C[C@@H]([NH2+]CCN(C)C)C1CC[NH+](C)CC1 ZINC000037208405 537790823 /nfs/dbraw/zinc/79/08/23/537790823.db2.gz JVNCFIQUQCZKDJ-LLVKDONJSA-N 2 0 213.369 0.868 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[NH2+]C[C@H]1C ZINC000125136913 343617537 /nfs/dbraw/zinc/61/75/37/343617537.db2.gz MVYPHJQTRRRUCS-SNVBAGLBSA-N 2 0 213.325 0.195 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000086068248 343609441 /nfs/dbraw/zinc/60/94/41/343609441.db2.gz KUMHVVFRFMWLPZ-UWVGGRQHSA-N 2 0 215.341 0.298 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000516652173 259367623 /nfs/dbraw/zinc/36/76/23/259367623.db2.gz URQIZYGTWXIMGF-LLVKDONJSA-N 2 0 225.336 0.339 20 0 BCADRP [NH3+]C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000621623849 343677023 /nfs/dbraw/zinc/67/70/23/343677023.db2.gz OCLDFMGGMVLSPJ-ZYHUDNBSSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]C[C@H](NC(=O)CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000621623848 343677271 /nfs/dbraw/zinc/67/72/71/343677271.db2.gz OCLDFMGGMVLSPJ-PWSUYJOCSA-N 2 0 239.363 0.620 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CCO ZINC000380004297 365794839 /nfs/dbraw/zinc/79/48/39/365794839.db2.gz YWEUKMMRPYSLAC-CHWSQXEVSA-N 2 0 244.379 0.536 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CCO ZINC000380004303 365795396 /nfs/dbraw/zinc/79/53/96/365795396.db2.gz YWEUKMMRPYSLAC-QWHCGFSZSA-N 2 0 244.379 0.536 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N(C)CC[NH+]1CCCC1 ZINC000418714458 192063947 /nfs/dbraw/zinc/06/39/47/192063947.db2.gz QIGRQIYWFIARGZ-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP C[C@@H](NC(=O)NCC[N@H+]1CC=CCC1)[C@H](C)[NH3+] ZINC000418732560 192064663 /nfs/dbraw/zinc/06/46/63/192064663.db2.gz UUPDESOIXQKTHX-WDEREUQCSA-N 2 0 240.351 0.283 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC1(C[NH3+])CCCC1 ZINC000154361710 343714625 /nfs/dbraw/zinc/71/46/25/343714625.db2.gz UDYFRPBAKKSXLC-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC[N@H+]1CC=CCC1 ZINC000418732557 192064995 /nfs/dbraw/zinc/06/49/95/192064995.db2.gz UUPDESOIXQKTHX-GHMZBOCLSA-N 2 0 240.351 0.283 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000418732999 192065051 /nfs/dbraw/zinc/06/50/51/192065051.db2.gz UZHFOIAZHWQZDB-NXEZZACHSA-N 2 0 242.367 0.458 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C[NH2+]C ZINC000262637346 349860916 /nfs/dbraw/zinc/86/09/16/349860916.db2.gz INDQVYNDVMPBDX-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N(CC)CCC[NH+](C)C ZINC000418731765 192065598 /nfs/dbraw/zinc/06/55/98/192065598.db2.gz QCWNDDGJVDCUIJ-NSHDSACASA-N 2 0 244.383 0.707 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000584221664 343774033 /nfs/dbraw/zinc/77/40/33/343774033.db2.gz DIPAIFRBTQJZFN-NSHDSACASA-N 2 0 242.367 0.426 20 0 BCADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C1([NH3+])CC1 ZINC000262133544 349853006 /nfs/dbraw/zinc/85/30/06/349853006.db2.gz NBWWPAZRYQPODY-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C1CC[NH2+]CC1)C2 ZINC000621684468 343746629 /nfs/dbraw/zinc/74/66/29/343746629.db2.gz MVJZYZUEMJLVAW-YPMHNXCESA-N 2 0 237.347 0.326 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261651734 349854391 /nfs/dbraw/zinc/85/43/91/349854391.db2.gz HIVPROXZAQFOSF-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000418727010 192065200 /nfs/dbraw/zinc/06/52/00/192065200.db2.gz MBYOLPDADCNFKU-OUAUKWLOSA-N 2 0 242.367 0.458 20 0 BCADRP CC(C)N(CC[NH+](C)C)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418731496 192065362 /nfs/dbraw/zinc/06/53/62/192065362.db2.gz SVYONPPIHKTRAJ-WDEREUQCSA-N 2 0 244.383 0.704 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000418738174 192065440 /nfs/dbraw/zinc/06/54/40/192065440.db2.gz WUSAVLIAKPMMAO-UTLUCORTSA-N 2 0 228.340 0.116 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]([NH3+])C1CCC1 ZINC000422534824 529845469 /nfs/dbraw/zinc/84/54/69/529845469.db2.gz BRALFUZFAXZWQJ-JTQLQIEISA-N 2 0 227.352 0.557 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@H]([NH3+])CC ZINC000418739931 192065920 /nfs/dbraw/zinc/06/59/20/192065920.db2.gz ZIEVHMGMQBZNRX-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000381035307 343826128 /nfs/dbraw/zinc/82/61/28/343826128.db2.gz CNSYHEBXSOTQKM-SCZZXKLOSA-N 2 0 207.277 0.150 20 0 BCADRP CC(C)[C@@](C)(CN)[NH2+]CC1CC[NH2+]CC1 ZINC000381034806 343809956 /nfs/dbraw/zinc/80/99/56/343809956.db2.gz AEEDCWKSQCJYKS-GFCCVEGCSA-N 2 0 213.369 0.949 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159051715 346994183 /nfs/dbraw/zinc/99/41/83/346994183.db2.gz NXZJLBIZFUKMMU-MFKMUULPSA-N 2 0 239.363 0.572 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC000594869860 537825964 /nfs/dbraw/zinc/82/59/64/537825964.db2.gz ARCMPHYGUZWYND-VXGBXAGGSA-N 2 0 239.363 0.396 20 0 BCADRP CC1CCN(Cc2nc(CN)no2)CC1 ZINC000570569857 323063448 /nfs/dbraw/zinc/06/34/48/323063448.db2.gz IONQEGVHKIYTCF-UHFFFAOYSA-N 2 0 210.281 0.760 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000577061582 365799337 /nfs/dbraw/zinc/79/93/37/365799337.db2.gz XXGXTGDQLRXMKR-BQBZGAKWSA-N 2 0 223.267 0.213 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000577178663 343907339 /nfs/dbraw/zinc/90/73/39/343907339.db2.gz LYXCZQOKCDDFIN-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000040922648 187355057 /nfs/dbraw/zinc/35/50/57/187355057.db2.gz PYZOMOXTUIFUMC-VIFPVBQESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000393769665 343926992 /nfs/dbraw/zinc/92/69/92/343926992.db2.gz ITTXWHPDJAWRSW-AATLWQCWSA-N 2 0 213.325 0.084 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000129072402 343961743 /nfs/dbraw/zinc/96/17/43/343961743.db2.gz KOROXIAVZOAAGT-BBBLOLIVSA-N 2 0 213.325 0.452 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000393802398 343963618 /nfs/dbraw/zinc/96/36/18/343963618.db2.gz UDCSGGCNCGQFEU-NKWVEPMBSA-N 2 0 223.267 0.068 20 0 BCADRP CC(C)[C@H](C)NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000049308645 187357275 /nfs/dbraw/zinc/35/72/75/187357275.db2.gz BQCAJFSZOAMYSC-NSHDSACASA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000155239062 344108721 /nfs/dbraw/zinc/10/87/21/344108721.db2.gz XBTQQLFEDXMCAZ-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000641285337 362345598 /nfs/dbraw/zinc/34/55/98/362345598.db2.gz SLUOAGLUAHRJHG-WCBMZHEXSA-N 2 0 228.340 0.150 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000335904620 344083534 /nfs/dbraw/zinc/08/35/34/344083534.db2.gz KGIWCDBIEJSBOA-NSHDSACASA-N 2 0 225.336 0.455 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1CCC[NH2+]C1 ZINC000130140622 344118254 /nfs/dbraw/zinc/11/82/54/344118254.db2.gz UIXSUBZXCHVIPH-MNOVXSKESA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634741461 344163484 /nfs/dbraw/zinc/16/34/84/344163484.db2.gz CZYKJFARISBBOS-ZMLRMANQSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634744017 344164510 /nfs/dbraw/zinc/16/45/10/344164510.db2.gz LISJGIXEQJODSM-WFFHOREQSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CCCC[NH3+])C2 ZINC000634744359 344165318 /nfs/dbraw/zinc/16/53/18/344165318.db2.gz VSSSODJHMSCCBI-BETUJISGSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634744277 344165341 /nfs/dbraw/zinc/16/53/41/344165341.db2.gz SYLVGGHEQROKAD-ZMLRMANQSA-N 2 0 225.336 0.039 20 0 BCADRP Cc1ncc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)n1C ZINC000634744905 344166508 /nfs/dbraw/zinc/16/65/08/344166508.db2.gz OSRYBBRXXGAZLF-PHIMTYICSA-N 2 0 221.304 0.807 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000130203504 344121839 /nfs/dbraw/zinc/12/18/39/344121839.db2.gz CHNAFPBWGWIAHM-MNOVXSKESA-N 2 0 227.352 0.476 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC000518359290 344210503 /nfs/dbraw/zinc/21/05/03/344210503.db2.gz WYSUMEYSBUKLDC-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC2)CN1C1CC1 ZINC000130312224 344220206 /nfs/dbraw/zinc/22/02/06/344220206.db2.gz UPNNWGHIUFTQFF-GMTAPVOTSA-N 2 0 210.321 0.990 20 0 BCADRP C[C@H](C[C@H]1COCCN1)[NH2+]CC[C@H](C)[NH3+] ZINC000622044972 344229467 /nfs/dbraw/zinc/22/94/67/344229467.db2.gz YZDLLPWKMBKROS-AXFHLTTASA-N 2 0 215.341 0.080 20 0 BCADRP C[NH2+]CCC[N@H+](C)CC[C@H]1CCOC1 ZINC000400616404 529964575 /nfs/dbraw/zinc/96/45/75/529964575.db2.gz IZTIGNHGTFZCDZ-NSHDSACASA-N 2 0 200.326 0.954 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000084420058 344192063 /nfs/dbraw/zinc/19/20/63/344192063.db2.gz NPKCJGFGKCXMSA-LLVKDONJSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1CCC[NH2+]1)C2 ZINC000634750108 344192950 /nfs/dbraw/zinc/19/29/50/344192950.db2.gz NGVNBPHQGPSROH-WCFLWFBJSA-N 2 0 237.347 0.196 20 0 BCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000634751957 344203865 /nfs/dbraw/zinc/20/38/65/344203865.db2.gz ASLFXRBCHWUGLP-QWRGUYRKSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752951 344205257 /nfs/dbraw/zinc/20/52/57/344205257.db2.gz VUZMOILIVFCIBN-WDEREUQCSA-N 2 0 241.379 0.736 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000132008310 344249813 /nfs/dbraw/zinc/24/98/13/344249813.db2.gz XAPHNVWAYSPLNZ-UWVGGRQHSA-N 2 0 215.341 0.556 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761919 344253801 /nfs/dbraw/zinc/25/38/01/344253801.db2.gz MBEXDTPVXYQIPR-NXEZZACHSA-N 2 0 227.352 0.476 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CCC[NH2+]1 ZINC000132020861 344268032 /nfs/dbraw/zinc/26/80/32/344268032.db2.gz JSHQMHHGPOHXBE-VHSXEESVSA-N 2 0 213.325 0.372 20 0 BCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000634765381 344276744 /nfs/dbraw/zinc/27/67/44/344276744.db2.gz QPCIHIALCXAWMP-DCAQKATOSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768395 344280052 /nfs/dbraw/zinc/28/00/52/344280052.db2.gz IJVLABLNJRFBRJ-UMNHJUIQSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H](C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2)[NH+](C)C ZINC000634768367 344280217 /nfs/dbraw/zinc/28/02/17/344280217.db2.gz HAEUWNPIGHESKT-UMNHJUIQSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[C@H]([NH3+])CC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768586 344280662 /nfs/dbraw/zinc/28/06/62/344280662.db2.gz PQZZUZQKJUBNJG-WZRBSPASSA-N 2 0 239.363 0.618 20 0 BCADRP O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000634768332 344280813 /nfs/dbraw/zinc/28/08/13/344280813.db2.gz FJRZWGRJORVWMX-WVWOOGAGSA-N 2 0 249.358 0.244 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH2+]CC ZINC000309450577 344283414 /nfs/dbraw/zinc/28/34/14/344283414.db2.gz MLMYIFWUBUDSOD-NXEZZACHSA-N 2 0 215.341 0.618 20 0 BCADRP CC[NH+]1CCC(CNC(=O)[C@H](C)C[NH2+]C)CC1 ZINC000092136505 344289286 /nfs/dbraw/zinc/28/92/86/344289286.db2.gz COFTVWCDTMXKJF-LLVKDONJSA-N 2 0 241.379 0.690 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCN2CCOCC2)C1 ZINC000093210364 344312150 /nfs/dbraw/zinc/31/21/50/344312150.db2.gz GMVHTLIHGMCHSR-QWHCGFSZSA-N 2 0 241.379 0.568 20 0 BCADRP NC(=O)C1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000093214320 344312447 /nfs/dbraw/zinc/31/24/47/344312447.db2.gz VDRMBFNVLZHHQU-ADPBJBESSA-N 2 0 239.363 0.890 20 0 BCADRP NC(=O)C1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000093214321 344312749 /nfs/dbraw/zinc/31/27/49/344312749.db2.gz VDRMBFNVLZHHQU-RSJDFQLWSA-N 2 0 239.363 0.890 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000133432306 344318305 /nfs/dbraw/zinc/31/83/05/344318305.db2.gz ZQOGHDGLXUMZTL-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000309395564 347046089 /nfs/dbraw/zinc/04/60/89/347046089.db2.gz GNVWMHMPTFNPOZ-AEJSXWLSSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000131707988 344325192 /nfs/dbraw/zinc/32/51/92/344325192.db2.gz UUAOILRZBOSUNN-ZJUUUORDSA-N 2 0 213.325 0.086 20 0 BCADRP CC[C@H](C(N)=O)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072916 344325652 /nfs/dbraw/zinc/32/56/52/344325652.db2.gz TUQUCABGSQVEPT-LLVKDONJSA-N 2 0 243.351 0.080 20 0 BCADRP COC(=O)CCCC[NH+]1CCC(O)(C[NH3+])CC1 ZINC000600707593 344360127 /nfs/dbraw/zinc/36/01/27/344360127.db2.gz BWZVYOWPELIATJ-UHFFFAOYSA-N 2 0 244.335 0.115 20 0 BCADRP COC(=O)CCCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000600709056 344361223 /nfs/dbraw/zinc/36/12/23/344361223.db2.gz NXFOCDQSEJAQLA-QWRGUYRKSA-N 2 0 228.336 0.999 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@H](O)CN(C)CC)C[C@@H]1O ZINC000400090027 344302111 /nfs/dbraw/zinc/30/21/11/344302111.db2.gz SXZRDAQWMMZPGU-UTUOFQBUSA-N 2 0 230.352 0.002 20 0 BCADRP CC[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107368302 347050867 /nfs/dbraw/zinc/05/08/67/347050867.db2.gz WNTZNJBPIKXUJE-GFCCVEGCSA-N 2 0 211.353 0.718 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000577278358 344481669 /nfs/dbraw/zinc/48/16/69/344481669.db2.gz CPXXBLVDOCFUPG-OUAUKWLOSA-N 2 0 225.336 0.038 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000577278356 344481706 /nfs/dbraw/zinc/48/17/06/344481706.db2.gz CPXXBLVDOCFUPG-GMTAPVOTSA-N 2 0 225.336 0.038 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)CCC[NH3+] ZINC000036999102 344484858 /nfs/dbraw/zinc/48/48/58/344484858.db2.gz BOCFJBWCMUIDFP-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCC[NH2+]1 ZINC000036999033 344485266 /nfs/dbraw/zinc/48/52/66/344485266.db2.gz QQWSFKHPAOXHMA-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000037042433 344487592 /nfs/dbraw/zinc/48/75/92/344487592.db2.gz BNCWEOZEIKHRDA-LBPRGKRZSA-N 2 0 239.363 0.713 20 0 BCADRP C(C[NH+]1CCCCC1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000080961042 344489315 /nfs/dbraw/zinc/48/93/15/344489315.db2.gz NWBFOYQNVCOQBI-CHWSQXEVSA-N 2 0 223.364 0.624 20 0 BCADRP C(C[NH+]1CCCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000080961040 344489322 /nfs/dbraw/zinc/48/93/22/344489322.db2.gz NWBFOYQNVCOQBI-BETUJISGSA-N 2 0 223.364 0.624 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484944 344508622 /nfs/dbraw/zinc/50/86/22/344508622.db2.gz IIDFUFANGWLBQH-JQWIXIFHSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000037267563 344496955 /nfs/dbraw/zinc/49/69/55/344496955.db2.gz DZSSZMPNOYRHAA-ZDUSSCGKSA-N 2 0 247.342 0.897 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000672754382 488265528 /nfs/dbraw/zinc/26/55/28/488265528.db2.gz NTLQBRRBFBQECZ-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP C[C@@H](C(=O)N(C)C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514354 344541180 /nfs/dbraw/zinc/54/11/80/344541180.db2.gz RCQQCCSMTFTHAS-VIFPVBQESA-N 2 0 213.325 0.134 20 0 BCADRP COC(=O)CCC[NH+]1CCC(C[NH3+])CC1 ZINC000044513177 344541221 /nfs/dbraw/zinc/54/12/21/344541221.db2.gz MYDOPPOHACGMER-UHFFFAOYSA-N 2 0 214.309 0.610 20 0 BCADRP C[NH+]1CCC(CNC(=O)CCC[NH3+])CC1 ZINC000044526662 344541256 /nfs/dbraw/zinc/54/12/56/344541256.db2.gz LRISFECTOLYVLX-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP COC(=O)CCCN1CCCC[C@H]1C[NH3+] ZINC000044557035 344543351 /nfs/dbraw/zinc/54/33/51/344543351.db2.gz LENXVURPGQNSJM-JTQLQIEISA-N 2 0 214.309 0.753 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)CC1CC[NH2+]CC1 ZINC000309422215 347058872 /nfs/dbraw/zinc/05/88/72/347058872.db2.gz JZQAFGZKTDBHMW-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)CC1CC[NH2+]CC1 ZINC000309422217 347058921 /nfs/dbraw/zinc/05/89/21/347058921.db2.gz JZQAFGZKTDBHMW-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP CC[NH+](CC)CC1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000037826224 344593243 /nfs/dbraw/zinc/59/32/43/344593243.db2.gz ZBBGEDIFJXLUGD-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000309834007 259377919 /nfs/dbraw/zinc/37/79/19/259377919.db2.gz ZLNREVROHMXUPI-UTINFBMNSA-N 2 0 213.325 0.226 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000309414156 347057188 /nfs/dbraw/zinc/05/71/88/347057188.db2.gz IZHJBWFAAKYGBU-ZETCQYMHSA-N 2 0 223.267 0.085 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)[NH3+])C1 ZINC000641423672 362408176 /nfs/dbraw/zinc/40/81/76/362408176.db2.gz DNRIWVRFLPEXGX-QWRGUYRKSA-N 2 0 242.367 0.458 20 0 BCADRP [NH3+]CC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000336516680 347057514 /nfs/dbraw/zinc/05/75/14/347057514.db2.gz AZYYVUOHOZHBLC-LBPRGKRZSA-N 3 0 211.353 0.657 20 0 BCADRP CC[NH+]1CCC(CCNC(=O)C[NH3+])CC1 ZINC000237065947 344587287 /nfs/dbraw/zinc/58/72/87/344587287.db2.gz FZPNJEDITMCPJH-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000641425684 362412392 /nfs/dbraw/zinc/41/23/92/362412392.db2.gz QTBPNINIZLRYNN-BBBLOLIVSA-N 2 0 228.340 0.068 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])C(C)C ZINC000237067326 344588817 /nfs/dbraw/zinc/58/88/17/344588817.db2.gz DXMLAUDGRCPYCT-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000641479648 362447648 /nfs/dbraw/zinc/44/76/48/362447648.db2.gz WCAJNWDLULWQQQ-LLVKDONJSA-N 2 0 242.367 0.461 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@H](C)[NH3+])C[C@@H]1C ZINC000641493726 362459976 /nfs/dbraw/zinc/45/99/76/362459976.db2.gz PLXWGTNFYIMWET-DCAQKATOSA-N 2 0 242.367 0.458 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494542465 530002335 /nfs/dbraw/zinc/00/23/35/530002335.db2.gz ODBQIGUEEJBVEO-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000641494345 362461182 /nfs/dbraw/zinc/46/11/82/362461182.db2.gz VIYVZTQLNMADID-SECBINFHSA-N 2 0 228.340 0.069 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000309447955 347065796 /nfs/dbraw/zinc/06/57/96/347065796.db2.gz LUNYPLUKSVENPJ-XFWSIPNHSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000309443368 347063387 /nfs/dbraw/zinc/06/33/87/347063387.db2.gz KQIZTGRCPPKGRN-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC([NH2+]C)CC1 ZINC000577867487 344639793 /nfs/dbraw/zinc/63/97/93/344639793.db2.gz DCDHKEOBRMOPMV-NEPJUHHUSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH+](CC)CC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000152625143 344648858 /nfs/dbraw/zinc/64/88/58/344648858.db2.gz JCVIAWWPSCYFPV-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578191569 344723631 /nfs/dbraw/zinc/72/36/31/344723631.db2.gz YCIPPMJNKXGECU-HBNTYKKESA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)[NH+](CCCNC(N)=[NH2+])C(C)C ZINC000074797721 344760189 /nfs/dbraw/zinc/76/01/89/344760189.db2.gz INLPVIZFLGPDDV-UHFFFAOYSA-N 2 0 200.330 0.978 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000370798438 187292476 /nfs/dbraw/zinc/29/24/76/187292476.db2.gz NVCMBTQMNIVZHF-KOLCDFICSA-N 2 0 231.315 0.178 20 0 BCADRP CC(C)[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000318977395 259381479 /nfs/dbraw/zinc/38/14/79/259381479.db2.gz HWWPYFUYCKOPEZ-LBPRGKRZSA-N 2 0 213.369 0.916 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169027663 344847951 /nfs/dbraw/zinc/84/79/51/344847951.db2.gz WODLEYTUKVXNSW-GRYCIOLGSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)([NH3+])c1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000675072881 537870524 /nfs/dbraw/zinc/87/05/24/537870524.db2.gz OGVUMVKEBPHNMT-SNVBAGLBSA-N 2 0 237.351 0.862 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C1CC[NH+](C)CC1 ZINC000429351833 192080949 /nfs/dbraw/zinc/08/09/49/192080949.db2.gz GMNWEQDHUJWSIW-SECBINFHSA-N 2 0 213.325 0.134 20 0 BCADRP COC[C@H](C)C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000583421819 344934241 /nfs/dbraw/zinc/93/42/41/344934241.db2.gz UKNNWAWLXIVZOG-OLZOCXBDSA-N 2 0 244.379 0.705 20 0 BCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH3+])C[C@H](C)[NH2+]1 ZINC000153595589 344914342 /nfs/dbraw/zinc/91/43/42/344914342.db2.gz DDRXAVSYGVDAKX-DTORHVGOSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H]1CN(C(=O)C(C)(C)C[NH3+])C[C@H](C)[NH2+]1 ZINC000153595692 344915899 /nfs/dbraw/zinc/91/58/99/344915899.db2.gz DDRXAVSYGVDAKX-IUCAKERBSA-N 2 0 213.325 0.180 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000154395876 345030834 /nfs/dbraw/zinc/03/08/34/345030834.db2.gz XDIHQQKFEGDROS-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CC[NH2+]C1CC1 ZINC000569623360 345039642 /nfs/dbraw/zinc/03/96/42/345039642.db2.gz MNOJWWFPZHRZIV-PWSUYJOCSA-N 2 0 239.363 0.857 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000155058359 345065265 /nfs/dbraw/zinc/06/52/65/345065265.db2.gz VCCAARAVNKDLBO-WDEREUQCSA-N 2 0 227.352 0.393 20 0 BCADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000125661492 345088886 /nfs/dbraw/zinc/08/88/86/345088886.db2.gz YQLQXKUOZMYIID-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCCN(C)C[C@@H](C[NH3+])C(C)C ZINC000634996593 345189756 /nfs/dbraw/zinc/18/97/56/345189756.db2.gz OOOZNELNCCYQSR-LLVKDONJSA-N 2 0 201.358 0.759 20 0 BCADRP CN(CC12CC(C1)C[NH2+]2)C1CC[NH2+]CC1 ZINC000634991189 345174029 /nfs/dbraw/zinc/17/40/29/345174029.db2.gz SYBPNUCTWCFQOX-UHFFFAOYSA-N 2 0 209.337 0.422 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000634990932 345174243 /nfs/dbraw/zinc/17/42/43/345174243.db2.gz IINVPHOGRKUEJO-TUAOUCFPSA-N 2 0 213.369 0.900 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000634991734 345178222 /nfs/dbraw/zinc/17/82/22/345178222.db2.gz PVACGGNUJSXGDT-IJLUTSLNSA-N 2 0 229.368 0.265 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C[C@@H](C[NH3+])C(C)C ZINC000634991650 345178446 /nfs/dbraw/zinc/17/84/46/345178446.db2.gz NBGZYTNPLPXWPF-NEPJUHHUSA-N 2 0 213.369 0.901 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634992733 345181276 /nfs/dbraw/zinc/18/12/76/345181276.db2.gz YZYZIDZSYPBWJW-OTTFEQOBSA-N 2 0 223.364 0.764 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN[C@@H](C[NH3+])C(F)(F)F ZINC000634996789 345181572 /nfs/dbraw/zinc/18/15/72/345181572.db2.gz VMDZDVDUVOLARB-YUMQZZPRSA-N 2 0 227.274 0.697 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NCC12CC(C1)C[NH2+]2 ZINC000634994448 345182066 /nfs/dbraw/zinc/18/20/66/345182066.db2.gz DEKSXZGLBAUHML-CXQJBGSLSA-N 2 0 211.353 0.701 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC[C@@H](C[NH3+])C(C)C ZINC000634995131 345183311 /nfs/dbraw/zinc/18/33/11/345183311.db2.gz VWPAKBCBMJNOQP-MNOVXSKESA-N 2 0 201.358 0.790 20 0 BCADRP CC(C)[C@H](C[NH3+])CNC[C@@H]([NH3+])C(C)C ZINC000634995130 345183577 /nfs/dbraw/zinc/18/35/77/345183577.db2.gz VWPAKBCBMJNOQP-GHMZBOCLSA-N 2 0 201.358 0.790 20 0 BCADRP O=C1C[C@H](NCC23CC(C2)C[NH2+]3)CN1C1CC1 ZINC000634996861 345184236 /nfs/dbraw/zinc/18/42/36/345184236.db2.gz XISXEHMZEOWACY-QUNCOHTASA-N 2 0 235.331 0.091 20 0 BCADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1COC[C@H]1O ZINC000323167325 537889482 /nfs/dbraw/zinc/88/94/82/537889482.db2.gz LIWMZJWVGXVQLG-FDYHWXHSSA-N 2 0 242.363 0.647 20 0 BCADRP C(N[C@@H]1CC12CC[NH2+]CC2)C12CC(C1)C[NH2+]2 ZINC000634995416 345184436 /nfs/dbraw/zinc/18/44/36/345184436.db2.gz DHPBNMGQZANMGC-QWKFWESOSA-N 3 0 221.348 0.470 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN[C@@H]1CCC[NH2+]CC1 ZINC000634995481 345184956 /nfs/dbraw/zinc/18/49/56/345184956.db2.gz GKQYHFPLRCYZPI-NWDGAFQWSA-N 2 0 213.369 0.949 20 0 BCADRP COC[C@@]1(CNC[C@H](C[NH3+])C(C)C)CCC[NH2+]1 ZINC000634995723 345185137 /nfs/dbraw/zinc/18/51/37/345185137.db2.gz NBTPBFNRNCDZEN-STQMWFEESA-N 2 0 243.395 0.576 20 0 BCADRP CC[NH2+][C@H](C)CNC[C@@H](C[NH3+])C(C)C ZINC000634996012 345186006 /nfs/dbraw/zinc/18/60/06/345186006.db2.gz WKYONUNSUALJPL-GHMZBOCLSA-N 2 0 201.358 0.805 20 0 BCADRP COCC[NH2+]CCNC[C@@H](C[NH3+])C(C)C ZINC000634996043 345186087 /nfs/dbraw/zinc/18/60/87/345186087.db2.gz XRYONJYPNAJZNB-LLVKDONJSA-N 2 0 217.357 0.043 20 0 BCADRP CC(C)[C@H](C[NH3+])CN[C@H](C)C[C@H](C)[NH3+] ZINC000634996923 345186400 /nfs/dbraw/zinc/18/64/00/345186400.db2.gz YYCINICNEMFQFU-HBNTYKKESA-N 2 0 201.358 0.933 20 0 BCADRP O=C1CC[C@@H]2CN(CC34CC(C3)C[NH2+]4)CC[C@H]2N1 ZINC000634996909 345186730 /nfs/dbraw/zinc/18/67/30/345186730.db2.gz YRGXGTVMFIDQPX-CBKZZEEASA-N 2 0 249.358 0.339 20 0 BCADRP CC[NH+](CC)CCC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634949562 345125869 /nfs/dbraw/zinc/12/58/69/345125869.db2.gz UWDPVGXJNQVBBH-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CNC(=O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156145555 345127825 /nfs/dbraw/zinc/12/78/25/345127825.db2.gz AULLIQPVKISPNQ-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CN(C[C@H]1CCC[N@@H+]1C)CC12CC(C1)C[NH2+]2 ZINC000634996567 345189068 /nfs/dbraw/zinc/18/90/68/345189068.db2.gz NWRAMEDIDNXXAZ-OTTFEQOBSA-N 2 0 223.364 0.764 20 0 BCADRP CN(C[C@@H]1CCC[N@@H+]1C)CC12CC(C1)C[NH2+]2 ZINC000634996566 345189081 /nfs/dbraw/zinc/18/90/81/345189081.db2.gz NWRAMEDIDNXXAZ-CPCZMJQVSA-N 2 0 223.364 0.764 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)CCCC[NH3+] ZINC000381284621 345241404 /nfs/dbraw/zinc/24/14/04/345241404.db2.gz ZFUGMCSOQRJXLV-UHFFFAOYSA-N 2 0 215.341 0.620 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000635078164 345242188 /nfs/dbraw/zinc/24/21/88/345242188.db2.gz OZUZBZLODGLQMX-LBPRGKRZSA-N 2 0 239.363 0.635 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH+](C)C ZINC000635138352 345256807 /nfs/dbraw/zinc/25/68/07/345256807.db2.gz WPRMXELVDVERHM-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H]1CCN(CC23CC(C2)C[NH2+]3)[C@H]1CO ZINC000634994104 345192494 /nfs/dbraw/zinc/19/24/94/345192494.db2.gz QLDYXIITNRMYNA-ZYGVAYEYSA-N 2 0 210.321 0.441 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC12CC(C1)C[NH2+]2 ZINC000634994215 345192797 /nfs/dbraw/zinc/19/27/97/345192797.db2.gz VWOFQFXFBXWPOL-ZFDZMSFRSA-N 2 0 223.364 0.763 20 0 BCADRP [NH3+]CC[C@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634994270 345193124 /nfs/dbraw/zinc/19/31/24/345193124.db2.gz XLZZSKMFWXAWQS-PNESKVBLSA-N 2 0 223.364 0.799 20 0 BCADRP C[N@H+]1C[C@H]2CN(CC34CC(C3)C[NH2+]4)C[C@H]2C1 ZINC000634994280 345193293 /nfs/dbraw/zinc/19/32/93/345193293.db2.gz XTVUFNGEBHZYGH-UNTZMWQOSA-N 2 0 221.348 0.232 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000634994333 345193458 /nfs/dbraw/zinc/19/34/58/345193458.db2.gz ZLCIBMJFNQRSMX-XQQFMLRXSA-N 2 0 225.380 0.901 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(CC13CC(C1)C[NH2+]3)C2 ZINC000634996981 345193956 /nfs/dbraw/zinc/19/39/56/345193956.db2.gz AOFFZLBLRMCMCJ-MVKMKZAISA-N 2 0 221.348 0.552 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)CC[N@@H+]1C ZINC000565042187 345194049 /nfs/dbraw/zinc/19/40/49/345194049.db2.gz XTJUMPKPOBKWKL-DCQANWLSSA-N 2 0 237.347 0.337 20 0 BCADRP C(N[C@H]1CC[NH2+]C12CCC2)C12CC(C1)C[NH2+]2 ZINC000634997211 345194479 /nfs/dbraw/zinc/19/44/79/345194479.db2.gz GFQAJIVQEOTLIW-CXQJBGSLSA-N 2 0 221.348 0.613 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC[C@H](C[NH3+])C(C)C ZINC000634997831 345196545 /nfs/dbraw/zinc/19/65/45/345196545.db2.gz UJPOJGPSIZYVBT-SDDRHHMPSA-N 2 0 213.369 0.947 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000634997550 345196677 /nfs/dbraw/zinc/19/66/77/345196677.db2.gz NSIOOEQDSOZVNU-GMTAPVOTSA-N 2 0 217.332 0.588 20 0 BCADRP COC[C@@H](C)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000635002675 345205115 /nfs/dbraw/zinc/20/51/15/345205115.db2.gz XKVIWYFPMREFBW-NSHDSACASA-N 2 0 230.352 0.315 20 0 BCADRP CC(C)OCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000635012039 345213472 /nfs/dbraw/zinc/21/34/72/345213472.db2.gz IVOGUSGSEZHESL-IJLUTSLNSA-N 2 0 230.352 0.753 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000635349649 345318386 /nfs/dbraw/zinc/31/83/86/345318386.db2.gz ZOUBWYLGFIRDEO-UTUOFQBUSA-N 2 0 239.363 0.680 20 0 BCADRP C[NH2+]CCNC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000449097227 201807831 /nfs/dbraw/zinc/80/78/31/201807831.db2.gz CGZDSZOCLNPRGW-VIFPVBQESA-N 2 0 215.341 0.346 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000449087201 201806109 /nfs/dbraw/zinc/80/61/09/201806109.db2.gz UWUNMEDNKMICIF-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)CC[NH2+]C(C)C)C1 ZINC000131766519 345307334 /nfs/dbraw/zinc/30/73/34/345307334.db2.gz AMJMMOYDBODBKF-NSHDSACASA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)[NH+](C)C ZINC000635328519 345309827 /nfs/dbraw/zinc/30/98/27/345309827.db2.gz PCMYYCNBNCVSCB-GRYCIOLGSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000635398983 345346105 /nfs/dbraw/zinc/34/61/05/345346105.db2.gz CSNNZAMMTFOOFB-ZJUUUORDSA-N 2 0 213.325 0.004 20 0 BCADRP C[C@H](CNC(=O)Cn1ccnc1)Cn1ccnc1 ZINC000569639974 345378995 /nfs/dbraw/zinc/37/89/95/345378995.db2.gz PDHCGUGTGQSICK-LLVKDONJSA-N 2 0 247.302 0.532 20 0 BCADRP C[C@H](C(=O)N1CCCC[C@H]1C[NH+](C)C)[NH+](C)C ZINC000635512449 345409093 /nfs/dbraw/zinc/40/90/93/345409093.db2.gz SEMSIYMXLOLINX-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000381346545 345430606 /nfs/dbraw/zinc/43/06/06/345430606.db2.gz ZDNDUSDZVBBCMW-MWLCHTKSSA-N 2 0 213.325 0.087 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000449127599 201815471 /nfs/dbraw/zinc/81/54/71/201815471.db2.gz WQSGEWLVZKMHAE-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]CCC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000169113324 345434344 /nfs/dbraw/zinc/43/43/44/345434344.db2.gz QBCKDDBQPRSNQZ-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H]1C[NH3+] ZINC000449132689 201817232 /nfs/dbraw/zinc/81/72/32/201817232.db2.gz VPUMIURQJICNOY-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+]C[C@H](NC(=O)C[C@H]1CCCC[C@@H]1[NH3+])C1CC1 ZINC000449129475 201817481 /nfs/dbraw/zinc/81/74/81/201817481.db2.gz VEHMKXHMLMBOSD-WOPDTQHZSA-N 2 0 239.363 0.748 20 0 BCADRP O=C([C@H]1CCCC[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159034889 345401232 /nfs/dbraw/zinc/40/12/32/345401232.db2.gz RZEGOBGIYHQAMA-GRYCIOLGSA-N 2 0 237.347 0.481 20 0 BCADRP C[C@H](C(=O)N(C)CC[NH+]1CCCC1)[NH+](C)C ZINC000635498415 345401682 /nfs/dbraw/zinc/40/16/82/345401682.db2.gz WFBWFRRUCMSDBF-LLVKDONJSA-N 2 0 227.352 0.491 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000449179990 201830499 /nfs/dbraw/zinc/83/04/99/201830499.db2.gz XWAGCVKGKNRKAF-KXNHARMFSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)C1C[NH2+]C1 ZINC000563087791 323091223 /nfs/dbraw/zinc/09/12/23/323091223.db2.gz PYNYCWOWVCEQEE-KXUCPTDWSA-N 2 0 225.336 0.051 20 0 BCADRP CCCN(C(=O)[C@@H](C)C1C[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000563100378 323092435 /nfs/dbraw/zinc/09/24/35/323092435.db2.gz JJJVURYXJONRBF-JQWIXIFHSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000563100201 323092436 /nfs/dbraw/zinc/09/24/36/323092436.db2.gz VLJJFGCJEFRHFX-WDEREUQCSA-N 2 0 225.336 0.054 20 0 BCADRP CCCN(C(=O)[C@H](C)C1C[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000563100380 323092466 /nfs/dbraw/zinc/09/24/66/323092466.db2.gz JJJVURYXJONRBF-ZYHUDNBSSA-N 2 0 239.363 0.442 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000563105725 323092642 /nfs/dbraw/zinc/09/26/42/323092642.db2.gz RGZBEKFHMJJLFK-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCCC[NH3+] ZINC000563106150 323092649 /nfs/dbraw/zinc/09/26/49/323092649.db2.gz YKTXNAOBSVHBKS-LLVKDONJSA-N 2 0 221.304 0.460 20 0 BCADRP CC[C@@]1(C(=O)NCC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000134366013 345647911 /nfs/dbraw/zinc/64/79/11/345647911.db2.gz NZAWTRPFVYICKM-ZDUSSCGKSA-N 2 0 239.363 0.634 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000143801049 345707124 /nfs/dbraw/zinc/70/71/24/345707124.db2.gz PDRPOPQXTNHZFH-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000635557992 345717051 /nfs/dbraw/zinc/71/70/51/345717051.db2.gz GJNGCNUQELVCRX-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000635557466 345717852 /nfs/dbraw/zinc/71/78/52/345717852.db2.gz ANFGOXOQLSETKH-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP [NH3+]CCN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000165680169 345721213 /nfs/dbraw/zinc/72/12/13/345721213.db2.gz POGULABTNNMVHZ-GFCCVEGCSA-N 2 0 205.305 0.592 20 0 BCADRP CC(C)[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000200321737 345728203 /nfs/dbraw/zinc/72/82/03/345728203.db2.gz CWBSCBJNJYSXNC-UHFFFAOYSA-N 2 0 200.326 0.783 20 0 BCADRP OCC[N@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000212455534 345735007 /nfs/dbraw/zinc/73/50/07/345735007.db2.gz BPYXBWPDWIHTAO-UHFFFAOYSA-N 2 0 212.337 0.833 20 0 BCADRP C[NH+](C)[C@@H]1CCC[N@H+](CCCO)CC1 ZINC000211705200 345737873 /nfs/dbraw/zinc/73/78/73/345737873.db2.gz AMQKILZDRJETKP-LLVKDONJSA-N 2 0 200.326 0.785 20 0 BCADRP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000635602282 345887963 /nfs/dbraw/zinc/88/79/63/345887963.db2.gz GYZDJBLWVRFVIG-IJLUTSLNSA-N 2 0 241.379 0.878 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1CCC[NH2+]C1 ZINC000131889796 187360463 /nfs/dbraw/zinc/36/04/63/187360463.db2.gz BNAPEJQZMBCCDA-QWRGUYRKSA-N 2 0 227.352 0.476 20 0 BCADRP CCOCCN1CCC([N@H+](C)CCCO)CC1 ZINC000115739330 187311720 /nfs/dbraw/zinc/31/17/20/187311720.db2.gz CCOLMWKFQMWINO-UHFFFAOYSA-N 2 0 244.379 0.802 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC1CC[NH2+]CC1 ZINC000381440119 345904052 /nfs/dbraw/zinc/90/40/52/345904052.db2.gz DUDTXACICXFFSR-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000178976817 345918988 /nfs/dbraw/zinc/91/89/88/345918988.db2.gz KDSZQGHWGXJCLN-NSHDSACASA-N 2 0 239.363 0.573 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000563171319 323099824 /nfs/dbraw/zinc/09/98/24/323099824.db2.gz WEPVDXQCFIUGJN-CIUDSAMLSA-N 2 0 213.325 0.369 20 0 BCADRP CC(C)[NH+](CCNC(=O)[C@H]1CC[NH2+]C1)C(C)C ZINC000062112076 187361291 /nfs/dbraw/zinc/36/12/91/187361291.db2.gz PXLSVWKQYIWBGP-LBPRGKRZSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000381491195 346057992 /nfs/dbraw/zinc/05/79/92/346057992.db2.gz XTZKUVBRZBBEKV-XFWSIPNHSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000381491196 346058052 /nfs/dbraw/zinc/05/80/52/346058052.db2.gz XTZKUVBRZBBEKV-XKNYDFJKSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)C[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000571037697 323104389 /nfs/dbraw/zinc/10/43/89/323104389.db2.gz IBZIGLVKOBLUHH-OUAUKWLOSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635807574 346072655 /nfs/dbraw/zinc/07/26/55/346072655.db2.gz NVZNBNRCAFSEQJ-VXGBXAGGSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)[NH+](C)C ZINC000635856136 346091908 /nfs/dbraw/zinc/09/19/08/346091908.db2.gz KFDUUHOHSMFQDF-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+](C)C ZINC000635993784 346144291 /nfs/dbraw/zinc/14/42/91/346144291.db2.gz ASPTWJWUYGXOGA-WAAKLRNESA-N 2 0 239.363 0.678 20 0 BCADRP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000636000193 346150842 /nfs/dbraw/zinc/15/08/42/346150842.db2.gz QRDPGIPDIWOBRH-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H](C(=O)NCCCC[N@H+](C)C1CC1)[NH+](C)C ZINC000636012326 346153970 /nfs/dbraw/zinc/15/39/70/346153970.db2.gz IRYXTGPXMAPLBP-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC(CC)(CC)C[NH3+] ZINC000380161466 346200496 /nfs/dbraw/zinc/20/04/96/346200496.db2.gz BMEBYYLGUASHJT-MRVPVSSYSA-N 2 0 201.314 0.357 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH2+]C ZINC000381534729 346285614 /nfs/dbraw/zinc/28/56/14/346285614.db2.gz DUNMHHPWQCZDQE-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@H](C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)[NH+](C)C ZINC000636065928 346306550 /nfs/dbraw/zinc/30/65/50/346306550.db2.gz OEZRWWKBPZMESF-GRYCIOLGSA-N 2 0 239.363 0.489 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000381535803 346288749 /nfs/dbraw/zinc/28/87/49/346288749.db2.gz GRMCIWNDGSEVRG-GXSJLCMTSA-N 2 0 213.325 0.228 20 0 BCADRP CN(C)C(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626539 349950653 /nfs/dbraw/zinc/95/06/53/349950653.db2.gz DTXJQIBRVINGJJ-SNVBAGLBSA-N 2 0 213.325 0.135 20 0 BCADRP C[NH+](C)CC(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000636092715 346317074 /nfs/dbraw/zinc/31/70/74/346317074.db2.gz UMQBMHPRQUOPRW-NXEZZACHSA-N 2 0 227.352 0.393 20 0 BCADRP C[C@H](C(=O)N(C)C)[NH+]1CCC(CC[NH3+])CC1 ZINC000069729904 349953806 /nfs/dbraw/zinc/95/38/06/349953806.db2.gz LPGCQDQVUMFSGQ-SNVBAGLBSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@H](C(=O)NCC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000636171089 346344435 /nfs/dbraw/zinc/34/44/35/346344435.db2.gz FJJOURBZYJRDQI-VHSXEESVSA-N 2 0 215.341 0.393 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)CCCC[NH3+] ZINC000069734087 349956341 /nfs/dbraw/zinc/95/63/41/349956341.db2.gz SNBZVMCHIUSCST-UHFFFAOYSA-N 2 0 229.368 0.916 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)CCCC[NH3+] ZINC000069734277 349956354 /nfs/dbraw/zinc/95/63/54/349956354.db2.gz HIQQHZXYXRAZMP-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@H]2CCC[NH2+]C2)ccn1 ZINC000170043253 346408151 /nfs/dbraw/zinc/40/81/51/346408151.db2.gz OKAKJGLRWKAADE-JTQLQIEISA-N 2 0 234.303 0.022 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000574918909 346411642 /nfs/dbraw/zinc/41/16/42/346411642.db2.gz BXPGYQJKRFUQOK-WZRBSPASSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000069803135 349960752 /nfs/dbraw/zinc/96/07/52/349960752.db2.gz SQKMREUOLHKIMP-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000575046807 346423491 /nfs/dbraw/zinc/42/34/91/346423491.db2.gz HKMLHSILWXUVAD-AXTSPUMRSA-N 2 0 202.298 0.116 20 0 BCADRP C[C@H]1C[N@H+](CCc2cncn2C)CC[C@@H]1[NH3+] ZINC000641795865 362736771 /nfs/dbraw/zinc/73/67/71/362736771.db2.gz APDPFBASMYPSBI-JQWIXIFHSA-N 2 0 222.336 0.632 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000069840024 349962134 /nfs/dbraw/zinc/96/21/34/349962134.db2.gz KHXXMVWCDNFTLB-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP CC[NH+](CC)CCCN1CC[NH+](CCO)CC1 ZINC000170793389 346451764 /nfs/dbraw/zinc/45/17/64/346451764.db2.gz NJRACWLUSFSIJH-UHFFFAOYSA-N 2 0 243.395 0.328 20 0 BCADRP Cn1cncc1CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000641797770 362745435 /nfs/dbraw/zinc/74/54/35/362745435.db2.gz GHNPVKLTOVFXDL-CYBMUJFWSA-N 2 0 234.347 0.648 20 0 BCADRP Cn1cncc1CC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000641799213 362746784 /nfs/dbraw/zinc/74/67/84/362746784.db2.gz OIKRABUMOOEKPC-LBPRGKRZSA-N 2 0 222.336 0.633 20 0 BCADRP Cn1cncc1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000641799502 362747887 /nfs/dbraw/zinc/74/78/87/362747887.db2.gz QBWQOFOYNNVLOU-YPMHNXCESA-N 3 0 234.347 0.646 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)NCC1=CC[NH2+]CC1 ZINC000186369921 346504151 /nfs/dbraw/zinc/50/41/51/346504151.db2.gz LZXDKDVFUVDSOH-NSHDSACASA-N 2 0 223.320 0.164 20 0 BCADRP [NH3+]CC[C@H](NC(=O)CC1(C[NH3+])CC1)C(F)F ZINC000580072595 346508845 /nfs/dbraw/zinc/50/88/45/346508845.db2.gz OBFLSRMPZQMVQF-ZETCQYMHSA-N 2 0 235.278 0.214 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000580072786 346509028 /nfs/dbraw/zinc/50/90/28/346509028.db2.gz WWARQSIWJQBZNF-WDEREUQCSA-N 2 0 239.363 0.476 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000580071858 346511859 /nfs/dbraw/zinc/51/18/59/346511859.db2.gz OVUSLKQSLXIHOG-ONGXEEELSA-N 2 0 225.336 0.337 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC000641801494 362755287 /nfs/dbraw/zinc/75/52/87/362755287.db2.gz RFNQMBRXROUQCU-AEJSXWLSSA-N 2 0 235.335 0.481 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000641801240 362755335 /nfs/dbraw/zinc/75/53/35/362755335.db2.gz OJFFAEMXXHNNBB-AXFHLTTASA-N 3 0 211.353 0.701 20 0 BCADRP [NH3+]Cc1cc(C(=O)NCCC[NH2+]C2CC2)co1 ZINC000577109021 365819165 /nfs/dbraw/zinc/81/91/65/365819165.db2.gz FPFDOBLNPCHVIA-UHFFFAOYSA-N 2 0 237.303 0.610 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000186898868 346544120 /nfs/dbraw/zinc/54/41/20/346544120.db2.gz DXYGYRNNJZBCSF-HBNTYKKESA-N 2 0 225.336 0.100 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000580631938 365833475 /nfs/dbraw/zinc/83/34/75/365833475.db2.gz GQVABUKVVWVSPR-MNOVXSKESA-N 2 0 229.368 0.864 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000580714330 346619539 /nfs/dbraw/zinc/61/95/39/346619539.db2.gz RCWDDNDWHWFCQT-UTUOFQBUSA-N 2 0 237.347 0.054 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000580192066 346646369 /nfs/dbraw/zinc/64/63/69/346646369.db2.gz VTVGOORRHKNAOF-TUAOUCFPSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000563617204 323131741 /nfs/dbraw/zinc/13/17/41/323131741.db2.gz DQTONIZYRCUWTG-GUBZILKMSA-N 2 0 243.376 0.030 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C(C)(C)C[NH3+] ZINC000167864504 346719255 /nfs/dbraw/zinc/71/92/55/346719255.db2.gz ZRBVSGXQMIQKHQ-UHFFFAOYSA-N 2 0 201.314 0.039 20 0 BCADRP CN(C)CC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000167996530 346723794 /nfs/dbraw/zinc/72/37/94/346723794.db2.gz PEKRDSZBDPMQRB-UHFFFAOYSA-N 2 0 233.315 0.832 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000580649709 365845363 /nfs/dbraw/zinc/84/53/63/365845363.db2.gz LHMFZYRFVOMGKW-AOOOYVTPSA-N 2 0 213.325 0.182 20 0 BCADRP COC[C@H](C)C[NH2+]C[C@H](C)CN1CCOCC1 ZINC000188016206 346691489 /nfs/dbraw/zinc/69/14/89/346691489.db2.gz BRMLQJCJIKTVHP-QWHCGFSZSA-N 2 0 244.379 0.827 20 0 BCADRP C[C@H]1CN(C(=O)CC[NH2+]C2CC2)CC[C@@H]1[NH3+] ZINC000580215950 346698188 /nfs/dbraw/zinc/69/81/88/346698188.db2.gz IXJPELSTAONBIP-ONGXEEELSA-N 2 0 225.336 0.324 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484941 346699784 /nfs/dbraw/zinc/69/97/84/346699784.db2.gz TWGJYSXRARKWDZ-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CN(C)C(=O)C(C)(C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000577165984 365849832 /nfs/dbraw/zinc/84/98/32/365849832.db2.gz LDRDZSIBSDYGBB-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CCC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000309617074 347122468 /nfs/dbraw/zinc/12/24/68/347122468.db2.gz FQARUWMXGJXBNO-LLVKDONJSA-N 2 0 213.325 0.102 20 0 BCADRP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@H]1CO ZINC000622004855 370655813 /nfs/dbraw/zinc/65/58/13/370655813.db2.gz VTRAFYPUHCJLTC-AAEUAGOBSA-N 2 0 226.364 0.936 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000582061786 347155839 /nfs/dbraw/zinc/15/58/39/347155839.db2.gz VBJZLWFNZOJVGB-UKKRHICBSA-N 2 0 225.336 0.180 20 0 BCADRP O=C(CC1CC[NH2+]CC1)NCCC[NH2+]C1CC1 ZINC000582063718 347158175 /nfs/dbraw/zinc/15/81/75/347158175.db2.gz FHVUGLTZXSVNPU-UHFFFAOYSA-N 2 0 239.363 0.634 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CCc1cncn1C ZINC000641819953 362771246 /nfs/dbraw/zinc/77/12/46/362771246.db2.gz JJHGJUNTHSBSEA-UHFFFAOYSA-N 2 0 240.351 0.130 20 0 BCADRP CC(C)OC(=O)CC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325517 347207173 /nfs/dbraw/zinc/20/71/73/347207173.db2.gz DQDRBJYGELVINO-GHMZBOCLSA-N 2 0 228.336 0.855 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)NC/C=C\C[NH3+] ZINC000641862731 362790419 /nfs/dbraw/zinc/79/04/19/362790419.db2.gz QIZHUHCEQIYZBG-BYCRGOAPSA-N 2 0 240.351 0.285 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000336753025 347217058 /nfs/dbraw/zinc/21/70/58/347217058.db2.gz WDTPBUVHEGQWNE-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000250610966 362812661 /nfs/dbraw/zinc/81/26/61/362812661.db2.gz MQFPBBJKTIQJPY-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000019425554 347323433 /nfs/dbraw/zinc/32/34/33/347323433.db2.gz YMXSPVBRYFATPH-QMMMGPOBSA-N 2 0 201.314 0.038 20 0 BCADRP CC[NH+](CC)CCCN1CC[C@@H](C[NH3+])C1 ZINC000019517796 347339156 /nfs/dbraw/zinc/33/91/56/347339156.db2.gz TXSSREUYWMYLSP-LBPRGKRZSA-N 2 0 213.369 0.999 20 0 BCADRP Cc1ncc(C[NH2+]C[C@H]2COCCN2C)n1C ZINC000623713724 347342822 /nfs/dbraw/zinc/34/28/22/347342822.db2.gz HTXKUCVBYTZHOC-LBPRGKRZSA-N 2 0 238.335 0.149 20 0 BCADRP CCOCCN1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000252766620 347416425 /nfs/dbraw/zinc/41/64/25/347416425.db2.gz HLWYNHSCDWBJQZ-QWRGUYRKSA-N 2 0 216.325 0.461 20 0 BCADRP C[N@@H+]1CCN(C[C@H]2C[NH2+]CCO2)CC1(C)C ZINC000250786378 362821520 /nfs/dbraw/zinc/82/15/20/362821520.db2.gz GHYJYMOKKWCXLR-LLVKDONJSA-N 2 0 227.352 0.001 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000193170866 347392175 /nfs/dbraw/zinc/39/21/75/347392175.db2.gz FIGXVPTXGUOFNG-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](C(=O)N(C)C)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000380839561 347399261 /nfs/dbraw/zinc/39/92/61/347399261.db2.gz TUYSVJWNQXZICN-GMTAPVOTSA-N 2 0 225.336 0.004 20 0 BCADRP COC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000053197141 347438541 /nfs/dbraw/zinc/43/85/41/347438541.db2.gz BNMDGABJFWOCDK-MNOVXSKESA-N 2 0 200.326 0.953 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C1([NH3+])CCC1 ZINC000088050872 362840538 /nfs/dbraw/zinc/84/05/38/362840538.db2.gz GJXZTEGJYHYRHZ-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH+](C)C ZINC000571579716 323148361 /nfs/dbraw/zinc/14/83/61/323148361.db2.gz KJWJCBVAORVXAV-RYUDHWBXSA-N 2 0 241.379 0.642 20 0 BCADRP C[C@@H]1CC[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000149777715 347512349 /nfs/dbraw/zinc/51/23/49/347512349.db2.gz JXMXGRKMZQDVEH-WISYIIOYSA-N 2 0 210.321 0.705 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H](C)C[NH3+] ZINC000380112601 365889300 /nfs/dbraw/zinc/88/93/00/365889300.db2.gz OPTKKVTYUUVESD-MRVPVSSYSA-N 2 0 201.314 0.215 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000382974017 347517674 /nfs/dbraw/zinc/51/76/74/347517674.db2.gz SACAVOJCOBFFEM-ZYHUDNBSSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000082474650 347615406 /nfs/dbraw/zinc/61/54/06/347615406.db2.gz YLHNKAKRHMATGC-JTQLQIEISA-N 2 0 222.336 0.979 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000591430092 347655330 /nfs/dbraw/zinc/65/53/30/347655330.db2.gz XTCXSEATEJXJQT-NXEZZACHSA-N 2 0 213.325 0.004 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000591423104 347657585 /nfs/dbraw/zinc/65/75/85/347657585.db2.gz CRGSVPJXVNDYTD-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CO[C@@H]1CCN(C[C@H]([NH3+])CC(C)C)[C@@H](C[NH3+])C1 ZINC000414654296 323150954 /nfs/dbraw/zinc/15/09/54/323150954.db2.gz BWESESFZYWEJJL-JHJVBQTASA-N 2 0 243.395 0.798 20 0 BCADRP CSC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000591726583 347692597 /nfs/dbraw/zinc/69/25/97/347692597.db2.gz QLKCCKXFEYXOOX-GRYCIOLGSA-N 2 0 244.404 0.927 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000591726719 347693158 /nfs/dbraw/zinc/69/31/58/347693158.db2.gz LDZAATHMWNQNQO-VXGBXAGGSA-N 2 0 239.363 0.396 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000333390282 537991983 /nfs/dbraw/zinc/99/19/83/537991983.db2.gz OSKFXMYUQHZAJA-QWRGUYRKSA-N 2 0 239.363 0.490 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH2+]C(C)C ZINC000577269471 365908785 /nfs/dbraw/zinc/90/87/85/365908785.db2.gz NGVPOAUYQJZUDQ-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C1CC1 ZINC000591456799 347664836 /nfs/dbraw/zinc/66/48/36/347664836.db2.gz YGECWXNEVFFUGQ-WDEREUQCSA-N 2 0 239.363 0.537 20 0 BCADRP CNCc1noc(-c2coc(C[NH3+])c2)n1 ZINC000577279940 365914456 /nfs/dbraw/zinc/91/44/56/365914456.db2.gz SUSNXRQYKFRNSS-UHFFFAOYSA-N 2 0 208.221 0.508 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C ZINC000041680070 347799477 /nfs/dbraw/zinc/79/94/77/347799477.db2.gz PJNBBBYNBFLDHM-QWRGUYRKSA-N 2 0 229.368 0.816 20 0 BCADRP CCOC(=O)CC[NH2+]CC1([NH3+])CCC1 ZINC000592485580 347786473 /nfs/dbraw/zinc/78/64/73/347786473.db2.gz NCBXTOHUSWDPPO-UHFFFAOYSA-N 2 0 200.282 0.411 20 0 BCADRP CC(C)OC(=O)CC[N@H+](C)CCC[NH3+] ZINC000592474256 347790711 /nfs/dbraw/zinc/79/07/11/347790711.db2.gz MDTNTBQMNILTHB-UHFFFAOYSA-N 2 0 202.298 0.609 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000449538803 201958029 /nfs/dbraw/zinc/95/80/29/201958029.db2.gz USYIJYOYFLQXLN-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H](C(=O)NCC1(C)CC[NH2+]CC1)C1C[NH2+]C1 ZINC000577371145 365936209 /nfs/dbraw/zinc/93/62/09/365936209.db2.gz PJXRNZHQHXWMCK-SNVBAGLBSA-N 2 0 239.363 0.348 20 0 BCADRP [NH3+]CCCC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000577372648 365936486 /nfs/dbraw/zinc/93/64/86/365936486.db2.gz JHLUCNKBYMKGAM-UWVGGRQHSA-N 2 0 213.325 0.359 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC[C@@H](C)[NH3+] ZINC000296508713 179325377 /nfs/dbraw/zinc/32/53/77/179325377.db2.gz RJYOZKMDOUOUSP-ZYHUDNBSSA-N 2 0 235.331 0.848 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000577392120 365944474 /nfs/dbraw/zinc/94/44/74/365944474.db2.gz OQOPVWAUIDSSIC-CMPLNLGQSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC000577399537 365945936 /nfs/dbraw/zinc/94/59/36/365945936.db2.gz LQLJSVIEKFNKSK-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000577399026 365946024 /nfs/dbraw/zinc/94/60/24/365946024.db2.gz HOXJHKLGBVDTNR-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)c1ccccc1CC[NH3+] ZINC000577407994 365948287 /nfs/dbraw/zinc/94/82/87/365948287.db2.gz ZHELFZMVUAIUPK-SNVBAGLBSA-N 2 0 235.331 0.512 20 0 BCADRP CSC[C@@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594576858 348074998 /nfs/dbraw/zinc/07/49/98/348074998.db2.gz CGRMJGYMKOUKLR-AXFHLTTASA-N 2 0 232.393 0.640 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCC[NH+](C)C ZINC000083362639 179342148 /nfs/dbraw/zinc/34/21/48/179342148.db2.gz TUKOEMYVQCIEBX-LBPRGKRZSA-N 2 0 235.331 0.673 20 0 BCADRP [NH3+]CCSCc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000594655569 348092412 /nfs/dbraw/zinc/09/24/12/348092412.db2.gz HYJUKDPRWJGBKK-JTQLQIEISA-N 2 0 241.364 0.395 20 0 BCADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CCCN1C ZINC000594918196 348153345 /nfs/dbraw/zinc/15/33/45/348153345.db2.gz PMRGTNSACZUVBQ-IRCOFANPSA-N 2 0 240.347 0.868 20 0 BCADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000594918197 348153510 /nfs/dbraw/zinc/15/35/10/348153510.db2.gz PMRGTNSACZUVBQ-NNYUYHANSA-N 2 0 240.347 0.868 20 0 BCADRP Cc1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)on1 ZINC000397600602 362895516 /nfs/dbraw/zinc/89/55/16/362895516.db2.gz NMLBNXBLQDQTJN-UHFFFAOYSA-N 2 0 239.319 0.529 20 0 BCADRP O[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@H]2C1)C[NH+]1CCCC1 ZINC000397782078 362910070 /nfs/dbraw/zinc/91/00/70/362910070.db2.gz WOAVQGJKWZJYEH-RNJOBUHISA-N 2 0 224.348 0.831 20 0 BCADRP C[C@H](CCO)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000397791888 362913040 /nfs/dbraw/zinc/91/30/40/362913040.db2.gz SRDIIACUJRECFH-STQMWFEESA-N 2 0 244.379 0.441 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC000595939131 348409278 /nfs/dbraw/zinc/40/92/78/348409278.db2.gz FACYNVYJYNZCMH-UWVGGRQHSA-N 2 0 247.408 0.523 20 0 BCADRP CCSCC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595901801 348394382 /nfs/dbraw/zinc/39/43/82/348394382.db2.gz JGVWDNWRGNRNMB-UHFFFAOYSA-N 2 0 218.366 0.444 20 0 BCADRP CC(C)=CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595902652 348395375 /nfs/dbraw/zinc/39/53/75/348395375.db2.gz CPAVXWTYRSRMGJ-VXGBXAGGSA-N 2 0 237.347 0.587 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[N@H+](CCC3CCC3)CCN2C1=O ZINC000595902940 348395538 /nfs/dbraw/zinc/39/55/38/348395538.db2.gz JHGVTAGLYFAJKM-NWDGAFQWSA-N 2 0 237.347 0.420 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000595955024 348404151 /nfs/dbraw/zinc/40/41/51/348404151.db2.gz HMGIBJDDBNTKDK-SECBINFHSA-N 2 0 245.392 0.455 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000207820435 348826344 /nfs/dbraw/zinc/82/63/44/348826344.db2.gz DNQGFKUKDWIMFO-GFCCVEGCSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000054076104 348878788 /nfs/dbraw/zinc/87/87/88/348878788.db2.gz DWZXVGSVBCZHNO-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@H](C)[NH2+]C)CC1 ZINC000054076230 348879240 /nfs/dbraw/zinc/87/92/40/348879240.db2.gz WJHNXHMTMQIXIX-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP CC[NH+]1CCC(CNC(=O)[C@H](C)[NH2+]C)CC1 ZINC000054076740 348879825 /nfs/dbraw/zinc/87/98/25/348879825.db2.gz PQKUJPSBFDQROF-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC000237911234 490221335 /nfs/dbraw/zinc/22/13/35/490221335.db2.gz IDGYRKIICWFSNJ-NSHDSACASA-N 2 0 225.336 0.244 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000054133678 349082881 /nfs/dbraw/zinc/08/28/81/349082881.db2.gz JFKRGQUKNXQGEN-LLVKDONJSA-N 2 0 229.368 0.960 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000247307239 349116571 /nfs/dbraw/zinc/11/65/71/349116571.db2.gz QEWQMEOCXIVSER-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000599301100 349141224 /nfs/dbraw/zinc/14/12/24/349141224.db2.gz GFJNWBDTMKORIA-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000248878204 349143503 /nfs/dbraw/zinc/14/35/03/349143503.db2.gz ROWWNZUIVQPAHK-IVZWLZJFSA-N 2 0 213.325 0.371 20 0 BCADRP [NH3+]CCCCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000250942904 349181082 /nfs/dbraw/zinc/18/10/82/349181082.db2.gz ZTVAPWMGPLXSBU-VXGBXAGGSA-N 2 0 239.363 0.858 20 0 BCADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](C)O)C1 ZINC000250028578 349166120 /nfs/dbraw/zinc/16/61/20/349166120.db2.gz RXFYIRWIPGXFBJ-WDEREUQCSA-N 2 0 200.326 0.689 20 0 BCADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC000250028571 349166526 /nfs/dbraw/zinc/16/65/26/349166526.db2.gz RXFYIRWIPGXFBJ-QWRGUYRKSA-N 2 0 200.326 0.689 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252851469 349218934 /nfs/dbraw/zinc/21/89/34/349218934.db2.gz IBQUEOKFVAYRRW-QCNOEVLYSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252198225 349198236 /nfs/dbraw/zinc/19/82/36/349198236.db2.gz VVEHRYQCSVLVRC-OPRDCNLKSA-N 2 0 213.325 0.132 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000212153144 349303001 /nfs/dbraw/zinc/30/30/01/349303001.db2.gz CKVUTCWIOHESMQ-LBPRGKRZSA-N 2 0 239.363 0.670 20 0 BCADRP C[NH+](C)Cc1cccc(NC(=O)NC2C[NH2+]C2)c1 ZINC000623057316 349331507 /nfs/dbraw/zinc/33/15/07/349331507.db2.gz LYOBLGCNXMNBKA-UHFFFAOYSA-N 2 0 248.330 0.842 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061645194 349376609 /nfs/dbraw/zinc/37/66/09/349376609.db2.gz WFCRIVVQKRVPSJ-LBPRGKRZSA-N 2 0 241.379 0.927 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C2CC2)CC1 ZINC000383719009 349383082 /nfs/dbraw/zinc/38/30/82/349383082.db2.gz XZYBQWKOMCKWJU-ZDUSSCGKSA-N 2 0 241.379 0.079 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000422545898 192425550 /nfs/dbraw/zinc/42/55/50/192425550.db2.gz XXYWJQWUVJCSLT-SCZZXKLOSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]CCCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000070502897 350015773 /nfs/dbraw/zinc/01/57/73/350015773.db2.gz IGPOHJPQEFNWFZ-NXEZZACHSA-N 2 0 213.325 0.359 20 0 BCADRP CC[N@H+](C)CCNC(=O)c1ccccc1CC[NH3+] ZINC000070542280 350019251 /nfs/dbraw/zinc/01/92/51/350019251.db2.gz NKKWFVQFUPCCIQ-UHFFFAOYSA-N 2 0 249.358 0.869 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000070619289 350029377 /nfs/dbraw/zinc/02/93/77/350029377.db2.gz MHZHHDQQRZHPTA-LBPRGKRZSA-N 2 0 227.352 0.585 20 0 BCADRP COCC[C@H](CO)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000300898429 349418874 /nfs/dbraw/zinc/41/88/74/349418874.db2.gz QPBUXUQZJBPZEJ-GARJFASQSA-N 2 0 216.325 0.243 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CCCC(=O)OC)C1 ZINC000070799616 350060378 /nfs/dbraw/zinc/06/03/78/350060378.db2.gz LUIQQXOGLCPURO-SNVBAGLBSA-N 2 0 214.309 0.481 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334242401 538061828 /nfs/dbraw/zinc/06/18/28/538061828.db2.gz XKCYHARKZLFPSG-YPMHNXCESA-N 2 0 239.363 0.572 20 0 BCADRP Cc1cnn(CC[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000304360474 350155584 /nfs/dbraw/zinc/15/55/84/350155584.db2.gz HYPDRIYHAMXQIE-LBPRGKRZSA-N 2 0 222.336 0.862 20 0 BCADRP CC(C)C[C@@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000304406793 350155965 /nfs/dbraw/zinc/15/59/65/350155965.db2.gz HYLKHBTWDLCEOI-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000449609860 201986545 /nfs/dbraw/zinc/98/65/45/201986545.db2.gz OSEPHMNTWWJEMY-UMNHJUIQSA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)NC(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000133789492 191042502 /nfs/dbraw/zinc/04/25/02/191042502.db2.gz BHGXIKBYMBENEH-NEPJUHHUSA-N 2 0 241.379 0.973 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000236647796 191059898 /nfs/dbraw/zinc/05/98/98/191059898.db2.gz CRIJTGTZLGDVOB-VIFPVBQESA-N 2 0 201.314 0.132 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC1CCC([NH3+])CC1 ZINC000236648541 191060072 /nfs/dbraw/zinc/06/00/72/191060072.db2.gz ZJQCLJVHUBABAP-UHFFFAOYSA-N 2 0 227.352 0.713 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236701264 191061066 /nfs/dbraw/zinc/06/10/66/191061066.db2.gz IMFKOAALTULNCO-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484902 323284074 /nfs/dbraw/zinc/28/40/74/323284074.db2.gz SFONRDQYIAQCBS-VWYCJHECSA-N 2 0 227.352 0.428 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)COC ZINC000153798438 191072768 /nfs/dbraw/zinc/07/27/68/191072768.db2.gz GRUHGYLQFZYKMN-NSHDSACASA-N 2 0 218.341 0.579 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000427604377 191083583 /nfs/dbraw/zinc/08/35/83/191083583.db2.gz PBJYPOAVNGOWLW-DCAQKATOSA-N 2 0 227.352 0.618 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000427576584 191081658 /nfs/dbraw/zinc/08/16/58/191081658.db2.gz DXFSGAQXWGNLAJ-WDEREUQCSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+](C)C ZINC000427565301 191082038 /nfs/dbraw/zinc/08/20/38/191082038.db2.gz NDTDFJYDKSSMBD-UTUOFQBUSA-N 2 0 241.379 0.687 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000427614382 191085061 /nfs/dbraw/zinc/08/50/61/191085061.db2.gz WPUSACYJBKDKKA-NHCYSSNCSA-N 2 0 227.352 0.618 20 0 BCADRP CCC[C@H](C(=O)N1CCC[C@H]([NH2+]C)C1)[NH+](C)C ZINC000422775039 192463302 /nfs/dbraw/zinc/46/33/02/192463302.db2.gz ZNIBPWOLNQFUSQ-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H](C)CC[NH3+] ZINC000309101791 323317417 /nfs/dbraw/zinc/31/74/17/323317417.db2.gz GDMYIIRUHUAQBE-SCZZXKLOSA-N 2 0 201.314 0.357 20 0 BCADRP CC[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)[NH+](CC)CC ZINC000428207147 191092104 /nfs/dbraw/zinc/09/21/04/191092104.db2.gz UTVUPKFVPSRNTB-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000606371683 350318881 /nfs/dbraw/zinc/31/88/81/350318881.db2.gz PHQXCNNPIPQJRZ-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP c1c([C@H]2CCCC[NH2+]2)nnn1C[C@H]1CCC[NH2+]1 ZINC000725263158 538089633 /nfs/dbraw/zinc/08/96/33/538089633.db2.gz RTGLOSSLYGTUJM-GHMZBOCLSA-N 2 0 235.335 0.845 20 0 BCADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050465047 350343567 /nfs/dbraw/zinc/34/35/67/350343567.db2.gz FELAXHGUNUOFBT-AXFHLTTASA-N 2 0 227.352 0.426 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000309396288 350367749 /nfs/dbraw/zinc/36/77/49/350367749.db2.gz GPWMGWKRTOLLAK-NXEZZACHSA-N 2 0 213.325 0.087 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000309368790 350354078 /nfs/dbraw/zinc/35/40/78/350354078.db2.gz BNZICBDLAOXSFS-OPRDCNLKSA-N 2 0 213.325 0.215 20 0 BCADRP CCN(C)C[C@H](O)C[NH2+][C@H]1CCOC1(C)C ZINC000328406411 350399909 /nfs/dbraw/zinc/39/99/09/350399909.db2.gz TUUZGRWQOKKHET-MNOVXSKESA-N 2 0 230.352 0.456 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H](C)[NH3+])C1 ZINC000069839778 350415018 /nfs/dbraw/zinc/41/50/18/350415018.db2.gz UNJCFRKZNNDVCV-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)NCC[NH2+]C1CC1 ZINC000637339197 350464735 /nfs/dbraw/zinc/46/47/35/350464735.db2.gz HDGLBIFXWNKFBW-LLVKDONJSA-N 2 0 240.351 0.261 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NCC[NH2+]C1CC1 ZINC000637338680 350464869 /nfs/dbraw/zinc/46/48/69/350464869.db2.gz AXMOFSJEYYSARK-NSHDSACASA-N 2 0 242.367 0.555 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)NCC[NH2+]C2CC2)C1 ZINC000637340373 350465639 /nfs/dbraw/zinc/46/56/39/350465639.db2.gz PSCAOQZXDBJZDG-NSHDSACASA-N 2 0 240.351 0.132 20 0 BCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NCCC[NH3+])C1 ZINC000637370440 350491117 /nfs/dbraw/zinc/49/11/17/350491117.db2.gz BWRPREONLBHWJI-NSHDSACASA-N 2 0 242.367 0.507 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N(C)CCC[NH+](C)C ZINC000577474646 365962227 /nfs/dbraw/zinc/96/22/27/365962227.db2.gz UZWOWUFJJYKOAQ-JTQLQIEISA-N 2 0 230.356 0.317 20 0 BCADRP CN(C[C@H](O)C[NH2+]C[C@@H]1CCCS1)C1CC1 ZINC000381023647 350498273 /nfs/dbraw/zinc/49/82/73/350498273.db2.gz XDCYDVQXFGSKQA-NEPJUHHUSA-N 2 0 244.404 0.927 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCCCC[NH3+] ZINC000577512121 365975799 /nfs/dbraw/zinc/97/57/99/365975799.db2.gz KBXYRJRYDZDELG-ZYHUDNBSSA-N 2 0 227.352 0.749 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC(C[NH3+])CC1 ZINC000309500184 350614142 /nfs/dbraw/zinc/61/41/42/350614142.db2.gz USGGIXKEPUKCGM-VIFPVBQESA-N 2 0 213.325 0.311 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000154095522 191115197 /nfs/dbraw/zinc/11/51/97/191115197.db2.gz YRKFLYBWUWFRMT-AXFHLTTASA-N 2 0 225.336 0.337 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C1([NH3+])CCOCC1 ZINC000338134204 350671032 /nfs/dbraw/zinc/67/10/32/350671032.db2.gz NJCFJVBPOGUYHY-JTQLQIEISA-N 2 0 243.351 0.128 20 0 BCADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000346608336 365990364 /nfs/dbraw/zinc/99/03/64/365990364.db2.gz PKCKBXKGXMWLQS-NWDGAFQWSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000309513125 350693848 /nfs/dbraw/zinc/69/38/48/350693848.db2.gz XXSSUKJKBUPNAS-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000309517933 350694056 /nfs/dbraw/zinc/69/40/56/350694056.db2.gz ZFXBJSUTSICTDJ-UWVGGRQHSA-N 2 0 211.309 0.077 20 0 BCADRP [NH3+][C@@H](C(=O)NC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000237826895 350754416 /nfs/dbraw/zinc/75/44/16/350754416.db2.gz LIMZRVDCFVABSK-WCQYABFASA-N 2 0 247.342 0.802 20 0 BCADRP C[NH2+]CCNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000637578510 350731107 /nfs/dbraw/zinc/73/11/07/350731107.db2.gz UOJORPVOJMECKT-NSHDSACASA-N 2 0 242.367 0.378 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000575744938 350886853 /nfs/dbraw/zinc/88/68/53/350886853.db2.gz BMUNPNOPGLLOOJ-RKDXNWHRSA-N 2 0 216.329 0.021 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CC1([NH3+])CC1 ZINC000398051669 362993279 /nfs/dbraw/zinc/99/32/79/362993279.db2.gz ASCIDUBSHXANJL-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079510250 351067908 /nfs/dbraw/zinc/06/79/08/351067908.db2.gz PGIULHUTSLJFCH-ZDUSSCGKSA-N 2 0 241.379 0.833 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000079520646 351071081 /nfs/dbraw/zinc/07/10/81/351071081.db2.gz ZVQJUSGUCPKEOZ-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000079520685 351071099 /nfs/dbraw/zinc/07/10/99/351071099.db2.gz RYBNISQZNQGOKY-GXFFZTMASA-N 2 0 237.347 0.481 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC(n2ccnc2)C1 ZINC000607342336 351323968 /nfs/dbraw/zinc/32/39/68/351323968.db2.gz UXFPLNFWJBCVDK-UHFFFAOYSA-N 2 0 236.319 0.608 20 0 BCADRP CC[NH+]1CCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000265602165 351271875 /nfs/dbraw/zinc/27/18/75/351271875.db2.gz DWXQCVOJHFWWGS-AATRIKPKSA-N 2 0 225.336 0.268 20 0 BCADRP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252717076 535159839 /nfs/dbraw/zinc/15/98/39/535159839.db2.gz ZSEGQNVXHALTGD-IJLUTSLNSA-N 2 0 214.353 0.933 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000137277826 351380965 /nfs/dbraw/zinc/38/09/65/351380965.db2.gz XMCIZIIUIIHYFE-GHMZBOCLSA-N 2 0 237.347 0.196 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH3+])CCC1 ZINC000088050109 351532009 /nfs/dbraw/zinc/53/20/09/351532009.db2.gz OISSQCDFHOAVDQ-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C2([NH3+])CCC2)C1 ZINC000088051444 351540550 /nfs/dbraw/zinc/54/05/50/351540550.db2.gz XQZDJOANQFQXPE-SNVBAGLBSA-N 2 0 225.336 0.420 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC000637802711 351634844 /nfs/dbraw/zinc/63/48/44/351634844.db2.gz SZGANNASKXXHNH-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000637821097 351661435 /nfs/dbraw/zinc/66/14/35/351661435.db2.gz SGBBNZLGPLTGLP-ZMLRMANQSA-N 2 0 237.347 0.538 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000637800493 351636379 /nfs/dbraw/zinc/63/63/79/351636379.db2.gz BBZIHMAYGBWIKJ-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP O=C(CCC1C[NH2+]C1)NC[C@@H]1CCCC[NH2+]1 ZINC000637817392 351661526 /nfs/dbraw/zinc/66/15/26/351661526.db2.gz VSGPXOZYXZHTEJ-NSHDSACASA-N 2 0 225.336 0.244 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000637803257 351638940 /nfs/dbraw/zinc/63/89/40/351638940.db2.gz BPLDSSKEINGUEM-GHMZBOCLSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]([NH3+])CCC(C)C ZINC000637805475 351641619 /nfs/dbraw/zinc/64/16/19/351641619.db2.gz IJZJZYOEMBKTRD-JTQLQIEISA-N 2 0 215.341 0.476 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000637806672 351643922 /nfs/dbraw/zinc/64/39/22/351643922.db2.gz VNCDMSSGZIKFOG-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000637806644 351643951 /nfs/dbraw/zinc/64/39/51/351643951.db2.gz ZORSYJJEJNPVMI-GFCCVEGCSA-N 2 0 241.379 0.866 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H](C)[NH+](C)C ZINC000637809719 351646011 /nfs/dbraw/zinc/64/60/11/351646011.db2.gz XJBIEJSYTYLWMI-SECBINFHSA-N 2 0 201.314 0.052 20 0 BCADRP CC[NH2+]CCCNC(=O)c1oc(C[NH3+])cc1C ZINC000637809225 351646195 /nfs/dbraw/zinc/64/61/95/351646195.db2.gz NHXJKBZOXZWDFU-UHFFFAOYSA-N 2 0 239.319 0.776 20 0 BCADRP COc1cccc([C@@H]([NH3+])C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000637810302 351650446 /nfs/dbraw/zinc/65/04/46/351650446.db2.gz GEWYNJLSQADXEF-ZYHUDNBSSA-N 2 0 249.314 0.173 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000637815811 351654628 /nfs/dbraw/zinc/65/46/28/351654628.db2.gz XVCLJDAFGOZTBT-RYUDHWBXSA-N 2 0 241.379 0.866 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000353428343 351619536 /nfs/dbraw/zinc/61/95/36/351619536.db2.gz MTABPHWXIWPESL-WOPDTQHZSA-N 2 0 241.379 0.735 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000353428341 351619697 /nfs/dbraw/zinc/61/96/97/351619697.db2.gz MTABPHWXIWPESL-IJLUTSLNSA-N 2 0 241.379 0.735 20 0 BCADRP [NH3+]C1(c2noc(CCC3C[NH2+]C3)n2)CCC1 ZINC000637794588 351620817 /nfs/dbraw/zinc/62/08/17/351620817.db2.gz JWVURUAFGGAMOA-UHFFFAOYSA-N 2 0 222.292 0.560 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000637798316 351626703 /nfs/dbraw/zinc/62/67/03/351626703.db2.gz WFBQFFGGOAELGZ-GRYCIOLGSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000637801407 351631994 /nfs/dbraw/zinc/63/19/94/351631994.db2.gz JWEFAZPZMAACBI-MNOVXSKESA-N 2 0 225.336 0.291 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000637829936 351679217 /nfs/dbraw/zinc/67/92/17/351679217.db2.gz XVGKMGBOGZGDFD-NSHDSACASA-N 2 0 225.336 0.538 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000637835138 351685646 /nfs/dbraw/zinc/68/56/46/351685646.db2.gz KSGHVEYCBVAQTF-NXEZZACHSA-N 2 0 213.325 0.004 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCC(C)C)C1 ZINC000637835348 351686313 /nfs/dbraw/zinc/68/63/13/351686313.db2.gz MJBQPDJYHIKGIR-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000637834374 351688503 /nfs/dbraw/zinc/68/85/03/351688503.db2.gz DHWXOAHHSMEVJZ-ONGXEEELSA-N 2 0 223.320 0.102 20 0 BCADRP C[C@@H]1CN(C(=O)CCC2C[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000637838928 351689192 /nfs/dbraw/zinc/68/91/92/351689192.db2.gz CTZLWFMYXSCTLM-AOOOYVTPSA-N 2 0 225.336 0.195 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC([NH2+]C)CC1 ZINC000637837377 351691509 /nfs/dbraw/zinc/69/15/09/351691509.db2.gz FMPFNIXGXSJZNM-SECBINFHSA-N 2 0 213.325 0.195 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000637841900 351698221 /nfs/dbraw/zinc/69/82/21/351698221.db2.gz MIHJDKPQIBFKGK-KWQFWETISA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](C)[NH+](C)C ZINC000637845323 351699568 /nfs/dbraw/zinc/69/95/68/351699568.db2.gz WPKNOIZWRPEPOS-NXEZZACHSA-N 2 0 215.341 0.426 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000637843048 351701684 /nfs/dbraw/zinc/70/16/84/351701684.db2.gz ZLOXEFNNYHUWPO-VIFPVBQESA-N 2 0 237.303 0.481 20 0 BCADRP CC[C@H](C(=O)N(C)[C@H](C)C[NH3+])[NH+](C)C ZINC000637843124 351701783 /nfs/dbraw/zinc/70/17/83/351701783.db2.gz VVGBILPODNQQQF-RKDXNWHRSA-N 2 0 201.314 0.132 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000637843618 351702507 /nfs/dbraw/zinc/70/25/07/351702507.db2.gz FOCUKMJHRHARQB-NXEZZACHSA-N 2 0 215.341 0.474 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000637846069 351704465 /nfs/dbraw/zinc/70/44/65/351704465.db2.gz URKTZWSUTCERAJ-SRVKXCTJSA-N 2 0 241.379 0.946 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000637824717 351664365 /nfs/dbraw/zinc/66/43/65/351664365.db2.gz PVKAIGJGOFMVRL-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)CCC2C[NH2+]C2)C1 ZINC000637824930 351664415 /nfs/dbraw/zinc/66/44/15/351664415.db2.gz PYPFIHZZVKZJLL-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000637821559 351666035 /nfs/dbraw/zinc/66/60/35/351666035.db2.gz UCLDABDGJTTZMC-GARJFASQSA-N 2 0 225.336 0.276 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000637822189 351666392 /nfs/dbraw/zinc/66/63/92/351666392.db2.gz HGTBKCSVEZJZGS-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH3+])C2)CC[N@@H+]1C ZINC000637821959 351666567 /nfs/dbraw/zinc/66/65/67/351666567.db2.gz GJYRSPPTBRPPHU-SDDRHHMPSA-N 2 0 239.363 0.524 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)NCC[NH2+]C1CC1 ZINC000637827434 351669849 /nfs/dbraw/zinc/66/98/49/351669849.db2.gz HBPXZXQLYIXBHB-UHFFFAOYSA-N 2 0 237.303 0.529 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000637828105 351671606 /nfs/dbraw/zinc/67/16/06/351671606.db2.gz BNPFYHGRSPBLER-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000637826387 351673320 /nfs/dbraw/zinc/67/33/20/351673320.db2.gz CACVYOXOPGADTD-UHFFFAOYSA-N 2 0 239.363 0.588 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000577731605 366046785 /nfs/dbraw/zinc/04/67/85/366046785.db2.gz JPBAVTSYVUZKDP-NEPJUHHUSA-N 2 0 237.347 0.481 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)CCC1C[NH2+]C1 ZINC000637857971 351718466 /nfs/dbraw/zinc/71/84/66/351718466.db2.gz VUEFGBSMMSBDGV-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]([NH3+])CCC(C)C ZINC000637861305 351721938 /nfs/dbraw/zinc/72/19/38/351721938.db2.gz FBZPXJLQSCRBQA-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000637861286 351722074 /nfs/dbraw/zinc/72/20/74/351722074.db2.gz HMMMLTMIWLUTFI-VIFPVBQESA-N 2 0 215.341 0.428 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637861976 351722795 /nfs/dbraw/zinc/72/27/95/351722795.db2.gz KZYZJSHIPPETBN-QWRGUYRKSA-N 2 0 223.320 0.244 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637862000 351722815 /nfs/dbraw/zinc/72/28/15/351722815.db2.gz MDWFXTNDBBFPML-NEPJUHHUSA-N 2 0 239.363 0.866 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637862169 351723194 /nfs/dbraw/zinc/72/31/94/351723194.db2.gz KZYZJSHIPPETBN-WDEREUQCSA-N 2 0 223.320 0.244 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637863012 351724326 /nfs/dbraw/zinc/72/43/26/351724326.db2.gz WIMRHGJBFYRKAB-SNVBAGLBSA-N 2 0 225.336 0.477 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)CCC1C[NH2+]C1 ZINC000637865537 351725713 /nfs/dbraw/zinc/72/57/13/351725713.db2.gz BJAAFOGHGLMHJD-NSHDSACASA-N 2 0 227.352 0.620 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](C)[NH2+]CC ZINC000637866660 351727468 /nfs/dbraw/zinc/72/74/68/351727468.db2.gz OSKKQRWPYRJOLP-VHSXEESVSA-N 2 0 215.341 0.618 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000626986082 363084842 /nfs/dbraw/zinc/08/48/42/363084842.db2.gz ADMLFSCBNCVFTH-GARJFASQSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1[NH3+] ZINC000637848211 351708375 /nfs/dbraw/zinc/70/83/75/351708375.db2.gz NHBFUXZAJAKTTP-WDEREUQCSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000674247292 487535620 /nfs/dbraw/zinc/53/56/20/487535620.db2.gz XPFCZBLQLZMQGT-NWDGAFQWSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N(C)CCC[NH3+] ZINC000637853075 351708910 /nfs/dbraw/zinc/70/89/10/351708910.db2.gz KWJOOBMKJCBALC-JTQLQIEISA-N 2 0 215.341 0.557 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000637852485 351711499 /nfs/dbraw/zinc/71/14/99/351711499.db2.gz WDUCIXRQCAHMRU-CMPLNLGQSA-N 2 0 225.336 0.524 20 0 BCADRP CC[C@H](C(=O)N[C@@H](C[NH3+])C1CC1)[NH+](C)C ZINC000637854132 351713283 /nfs/dbraw/zinc/71/32/83/351713283.db2.gz DKOBTHMEOADOKD-VHSXEESVSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000572362334 323610240 /nfs/dbraw/zinc/61/02/40/323610240.db2.gz FVTZFALRNNVMHQ-WDEREUQCSA-N 2 0 227.352 0.429 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000340081198 351882889 /nfs/dbraw/zinc/88/28/89/351882889.db2.gz BUXUIHIOXRHCOZ-UTUOFQBUSA-N 2 0 241.379 0.995 20 0 BCADRP CCCN(C(=O)[C@@H](C)[NH2+]CC)C1CC[NH2+]CC1 ZINC000638046365 351925728 /nfs/dbraw/zinc/92/57/28/351925728.db2.gz HDPLFDQCKFNXDK-LLVKDONJSA-N 2 0 241.379 0.975 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCCC[NH+](CC)CC ZINC000638046857 351926065 /nfs/dbraw/zinc/92/60/65/351926065.db2.gz BWGDTFCBUHISQV-LLVKDONJSA-N 2 0 229.368 0.833 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)CCC1C[NH2+]C1 ZINC000638049897 351927370 /nfs/dbraw/zinc/92/73/70/351927370.db2.gz HYWHINXIMFFGQN-UHFFFAOYSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH+](CC)CCCNC(=O)CCC1C[NH2+]C1 ZINC000638048616 351928471 /nfs/dbraw/zinc/92/84/71/351928471.db2.gz PCGVZBARKBFSQA-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000638066571 351938970 /nfs/dbraw/zinc/93/89/70/351938970.db2.gz KHJYDCGLFGMUMA-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)CCC1C[NH2+]C1 ZINC000638076983 351948641 /nfs/dbraw/zinc/94/86/41/351948641.db2.gz NYPFEYKZAVZGCC-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000638069359 351941286 /nfs/dbraw/zinc/94/12/86/351941286.db2.gz JMNCTBKFKPFMIA-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCCC[N@H+](C)CCOC ZINC000638072438 351944358 /nfs/dbraw/zinc/94/43/58/351944358.db2.gz RYRRZEQWCOYHPK-NSHDSACASA-N 2 0 245.367 0.069 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000638072294 351944831 /nfs/dbraw/zinc/94/48/31/351944831.db2.gz MGRJNUMINKYLPK-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000638072741 351945281 /nfs/dbraw/zinc/94/52/81/351945281.db2.gz VIXXCRSHQTXGRM-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000638072974 351945287 /nfs/dbraw/zinc/94/52/87/351945287.db2.gz WKABLFIQHBXADW-CYBMUJFWSA-N 2 0 249.358 0.588 20 0 BCADRP C[NH+](C)C1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638143025 352006841 /nfs/dbraw/zinc/00/68/41/352006841.db2.gz WHPSVUSKVOFDQF-NSHDSACASA-N 2 0 237.347 0.587 20 0 BCADRP C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000638144143 352009130 /nfs/dbraw/zinc/00/91/30/352009130.db2.gz BBLAZSKOROUOTF-YIBTVLSRSA-N 2 0 239.363 0.678 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCCCCn1ccnc1 ZINC000638076528 351949449 /nfs/dbraw/zinc/94/94/49/351949449.db2.gz QSBVEUMBTYHZFL-NSHDSACASA-N 2 0 238.335 0.778 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000638076623 351949801 /nfs/dbraw/zinc/94/98/01/351949801.db2.gz ZQLGWTHJSWBWOZ-WOPDTQHZSA-N 2 0 239.363 0.727 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638077837 351950712 /nfs/dbraw/zinc/95/07/12/351950712.db2.gz BHBRBMHFGPZHKT-GHMZBOCLSA-N 2 0 223.320 0.244 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)CCC1C[NH2+]C1)C1CC1 ZINC000638077980 351950892 /nfs/dbraw/zinc/95/08/92/351950892.db2.gz ZYZAFEILKZIEQD-LBPRGKRZSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000638077733 351950917 /nfs/dbraw/zinc/95/09/17/351950917.db2.gz VUOZPQFBZUJJDI-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)C1CC1 ZINC000638077894 351950969 /nfs/dbraw/zinc/95/09/69/351950969.db2.gz XUJVIQFHQSWBHI-VXGBXAGGSA-N 2 0 237.347 0.490 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000638080223 351953464 /nfs/dbraw/zinc/95/34/64/351953464.db2.gz MYVHYGXIYQYAMO-BDAKNGLRSA-N 2 0 201.314 0.051 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000638148780 352010650 /nfs/dbraw/zinc/01/06/50/352010650.db2.gz OSJFNLZLGAHCKZ-BBBLOLIVSA-N 2 0 213.325 0.180 20 0 BCADRP C[N@H+](CCNC(=O)CCC1C[NH2+]C1)C1CC1 ZINC000638081631 351954351 /nfs/dbraw/zinc/95/43/51/351954351.db2.gz BAIONYCNGOMFHM-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000638081128 351954496 /nfs/dbraw/zinc/95/44/96/351954496.db2.gz VBTPMQBDDYFRQJ-GHMZBOCLSA-N 2 0 229.368 0.816 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000638082001 351955572 /nfs/dbraw/zinc/95/55/72/351955572.db2.gz RPUDUBBZLCHYJQ-QWRGUYRKSA-N 2 0 235.331 0.387 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000638081463 351957196 /nfs/dbraw/zinc/95/71/96/351957196.db2.gz MAMGCUPCAYGOIR-UWVGGRQHSA-N 2 0 225.336 0.337 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000638081465 351957342 /nfs/dbraw/zinc/95/73/42/351957342.db2.gz MAMGCUPCAYGOIR-ZJUUUORDSA-N 2 0 225.336 0.337 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000638083358 351958220 /nfs/dbraw/zinc/95/82/20/351958220.db2.gz IXCJBELVNAUASE-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)CCC1C[NH2+]C1 ZINC000638085049 351961102 /nfs/dbraw/zinc/96/11/02/351961102.db2.gz NTTVYDKNXJTSFK-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)CCC1C[NH2+]C1 ZINC000638085046 351961196 /nfs/dbraw/zinc/96/11/96/351961196.db2.gz NTTVYDKNXJTSFK-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC[N@H+](C)C1CC1 ZINC000638085458 351962166 /nfs/dbraw/zinc/96/21/66/351962166.db2.gz ZXMPSVXAYJREBN-SECBINFHSA-N 2 0 213.325 0.195 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000638085593 351962219 /nfs/dbraw/zinc/96/22/19/351962219.db2.gz RQWPQWBMXAXVAN-ZJUUUORDSA-N 2 0 215.341 0.441 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000638093138 351971676 /nfs/dbraw/zinc/97/16/76/351971676.db2.gz BOOVQHQVJWTNCV-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)CCC2C[NH2+]C2)C1 ZINC000638095637 351975660 /nfs/dbraw/zinc/97/56/60/351975660.db2.gz AENKMULSFQOGDL-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000638151782 352012094 /nfs/dbraw/zinc/01/20/94/352012094.db2.gz AMHBHNAWZONLPZ-GXSJLCMTSA-N 2 0 225.336 0.182 20 0 BCADRP CC[N@H+](CCNC(=O)C1=CC[C@@H]([NH3+])C1)C1CC1 ZINC000638096586 351976862 /nfs/dbraw/zinc/97/68/62/351976862.db2.gz JZBATHXDWVILRC-LLVKDONJSA-N 2 0 237.347 0.634 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000638100577 351980923 /nfs/dbraw/zinc/98/09/23/351980923.db2.gz KFRATBXVYWMEBL-UWVGGRQHSA-N 2 0 227.352 0.583 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000638125981 351997248 /nfs/dbraw/zinc/99/72/48/351997248.db2.gz HUNPEORFRSLLND-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP Cc1nc[nH]c1CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000638175937 352041911 /nfs/dbraw/zinc/04/19/11/352041911.db2.gz ACPVIAUBGWANQX-KCJUWKMLSA-N 2 0 236.319 0.375 20 0 BCADRP Cc1nc[nH]c1CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000638175934 352042033 /nfs/dbraw/zinc/04/20/33/352042033.db2.gz ACPVIAUBGWANQX-GZMMTYOYSA-N 2 0 236.319 0.375 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC000638182195 352049242 /nfs/dbraw/zinc/04/92/42/352049242.db2.gz WMKMMNQXERRQIX-QWRGUYRKSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000638191254 352055639 /nfs/dbraw/zinc/05/56/39/352055639.db2.gz XLHNIBJWTWUHCP-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)Cc1[nH]cnc1C ZINC000638212865 352075347 /nfs/dbraw/zinc/07/53/47/352075347.db2.gz OIVFRXXXPHWBSC-MRVPVSSYSA-N 2 0 224.308 0.375 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000638195095 352057149 /nfs/dbraw/zinc/05/71/49/352057149.db2.gz CZZKRVFXASMYSA-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000638197917 352060058 /nfs/dbraw/zinc/06/00/58/352060058.db2.gz FTAUQCITPYCLPL-JLLWLGSASA-N 2 0 235.331 0.244 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000638196143 352060092 /nfs/dbraw/zinc/06/00/92/352060092.db2.gz WEUOYLNWMJBZJE-ZJUUUORDSA-N 2 0 213.325 0.243 20 0 BCADRP C[C@H](C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000638200534 352061220 /nfs/dbraw/zinc/06/12/20/352061220.db2.gz RDTJTLJIZMDPGV-BBBLOLIVSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638201036 352061578 /nfs/dbraw/zinc/06/15/78/352061578.db2.gz ACTGEQGJINVTAA-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H](C)[NH+](C)C)CC[C@@H]1[NH3+] ZINC000638201069 352061634 /nfs/dbraw/zinc/06/16/34/352061634.db2.gz ARBKMCWWZWTVSJ-MXWKQRLJSA-N 2 0 227.352 0.522 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000638198455 352061964 /nfs/dbraw/zinc/06/19/64/352061964.db2.gz XIIQYLFUWIEOPQ-MXWKQRLJSA-N 2 0 225.336 0.337 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000638198454 352062089 /nfs/dbraw/zinc/06/20/89/352062089.db2.gz XIIQYLFUWIEOPQ-GARJFASQSA-N 2 0 225.336 0.337 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000638199570 352063542 /nfs/dbraw/zinc/06/35/42/352063542.db2.gz DDBZLTZIFNJQAQ-SRVKXCTJSA-N 2 0 241.379 0.864 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NC2(C)CC[NH2+]CC2)C1 ZINC000638204697 352066285 /nfs/dbraw/zinc/06/62/85/352066285.db2.gz AYVKNHZISHJMIW-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000638201943 352066329 /nfs/dbraw/zinc/06/63/29/352066329.db2.gz NOLLYNXXVTXHSW-IVZWLZJFSA-N 2 0 213.325 0.099 20 0 BCADRP CC[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000638206187 352068542 /nfs/dbraw/zinc/06/85/42/352068542.db2.gz JYWDLUZPZNVTJK-USWWRNFRSA-N 2 0 237.347 0.620 20 0 BCADRP C[C@H]([NH3+])C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000083907643 352069786 /nfs/dbraw/zinc/06/97/86/352069786.db2.gz DHNHIRIDJWBWLF-JTQLQIEISA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000638209446 352072107 /nfs/dbraw/zinc/07/21/07/352072107.db2.gz KJIXUAUXQBETAB-FBIMIBRVSA-N 2 0 223.320 0.291 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000638209447 352072160 /nfs/dbraw/zinc/07/21/60/352072160.db2.gz KJIXUAUXQBETAB-IEBDPFPHSA-N 2 0 223.320 0.291 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH3+])C2CC2)CC[N@@H+]1C ZINC000638152345 352016561 /nfs/dbraw/zinc/01/65/61/352016561.db2.gz DXCABSJQQPDNSA-SDDRHHMPSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@@H+]1C ZINC000638152344 352016985 /nfs/dbraw/zinc/01/69/85/352016985.db2.gz DXCABSJQQPDNSA-QJPTWQEYSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638214325 352076453 /nfs/dbraw/zinc/07/64/53/352076453.db2.gz YXXYKKBCAQANQX-TUAOUCFPSA-N 2 0 239.363 0.428 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000638155845 352019088 /nfs/dbraw/zinc/01/90/88/352019088.db2.gz WFFJXLXNZWXLTK-MNOVXSKESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1CN(C(=O)CCC2C[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000638157108 352021502 /nfs/dbraw/zinc/02/15/02/352021502.db2.gz BVKHOTHIQPVEPL-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP COc1cccc([C@H]([NH3+])C(=O)NC[C@H](C)[NH3+])c1 ZINC000638211518 352073339 /nfs/dbraw/zinc/07/33/39/352073339.db2.gz SHOUDPFOWJRXRF-KWQFWETISA-N 2 0 237.303 0.158 20 0 BCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C[NH2+]1 ZINC000638160469 352024503 /nfs/dbraw/zinc/02/45/03/352024503.db2.gz XXTFDDMBLAWKPK-MNOVXSKESA-N 2 0 239.363 0.537 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](CC)[NH+](C)C ZINC000638160210 352024844 /nfs/dbraw/zinc/02/48/44/352024844.db2.gz HPCCENDLZVJUFV-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](CC)[NH+](C)C ZINC000638160207 352024912 /nfs/dbraw/zinc/02/49/12/352024912.db2.gz HPCCENDLZVJUFV-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP Cc1cncn1CC(=O)NCC1([NH3+])CCC1 ZINC000638162025 352026659 /nfs/dbraw/zinc/02/66/59/352026659.db2.gz YVCGSXOPFONXMA-UHFFFAOYSA-N 2 0 222.292 0.189 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000638164851 352029846 /nfs/dbraw/zinc/02/98/46/352029846.db2.gz MMVGOKOZRGONTR-MMWGEVLESA-N 2 0 225.336 0.310 20 0 BCADRP C[C@]1(CNC(=O)C2=CC[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000638164287 352032422 /nfs/dbraw/zinc/03/24/22/352032422.db2.gz KHBKEKVOWNKIFW-YPMHNXCESA-N 2 0 237.347 0.540 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000638167632 352035196 /nfs/dbraw/zinc/03/51/96/352035196.db2.gz GDSAOEGNPTUEAE-DGCLKSJQSA-N 2 0 235.331 0.246 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000638173030 352040185 /nfs/dbraw/zinc/04/01/85/352040185.db2.gz ZKZCWLWGCRXBSV-LBPRGKRZSA-N 2 0 249.358 0.972 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000638173029 352040408 /nfs/dbraw/zinc/04/04/08/352040408.db2.gz ZKZCWLWGCRXBSV-GFCCVEGCSA-N 2 0 249.358 0.972 20 0 BCADRP C[C@@]1(C(=O)Nc2ccc(C[NH3+])cc2)C[NH2+]CCO1 ZINC000638175140 352040661 /nfs/dbraw/zinc/04/06/61/352040661.db2.gz WPLFIHNWTZWQPA-ZDUSSCGKSA-N 2 0 249.314 0.462 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000638282373 352120358 /nfs/dbraw/zinc/12/03/58/352120358.db2.gz DGKLFSRGZYSPIO-NWDGAFQWSA-N 2 0 241.379 0.783 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000638287979 352124452 /nfs/dbraw/zinc/12/44/52/352124452.db2.gz YOFFKZQAVDHQRA-UTUOFQBUSA-N 2 0 241.379 0.783 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000638211169 352077029 /nfs/dbraw/zinc/07/70/29/352077029.db2.gz SCRKBYGAWHJZIW-AEJSXWLSSA-N 2 0 213.325 0.241 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000638211174 352077132 /nfs/dbraw/zinc/07/71/32/352077132.db2.gz SCRKBYGAWHJZIW-OPRDCNLKSA-N 2 0 213.325 0.241 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000638218014 352077551 /nfs/dbraw/zinc/07/75/51/352077551.db2.gz RWGAVJAHKVGRLR-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638220053 352079445 /nfs/dbraw/zinc/07/94/45/352079445.db2.gz MNAIUTKBIYLOHB-CMPLNLGQSA-N 2 0 223.320 0.231 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000638224352 352083250 /nfs/dbraw/zinc/08/32/50/352083250.db2.gz LAWGEWDASYLEDN-GUBZILKMSA-N 2 0 231.315 0.143 20 0 BCADRP C[C@H](C(=O)N[C@H]1[C@H](C)CC[NH2+][C@H]1C)[NH+](C)C ZINC000638229708 352084827 /nfs/dbraw/zinc/08/48/27/352084827.db2.gz GRSPHDIVHXDESV-YTWAJWBKSA-N 2 0 227.352 0.439 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000638229203 352085184 /nfs/dbraw/zinc/08/51/84/352085184.db2.gz DLBHQRDHFJOBEX-LOKLDPHHSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638234134 352085701 /nfs/dbraw/zinc/08/57/01/352085701.db2.gz XYVDXTMKPKZYRX-GBIKHYSHSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC000638236899 352087933 /nfs/dbraw/zinc/08/79/33/352087933.db2.gz LCZGLZANKIWQBD-UWVGGRQHSA-N 2 0 225.336 0.276 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000638243404 352089558 /nfs/dbraw/zinc/08/95/58/352089558.db2.gz OMXZVBCGPIBZCX-VHSXEESVSA-N 2 0 215.341 0.618 20 0 BCADRP C[C@H](C(=O)N[C@@H](C)CCC[NH3+])[NH+](C)C ZINC000638252117 352095246 /nfs/dbraw/zinc/09/52/46/352095246.db2.gz PFKCCEVJIIPOPH-DTWKUNHWSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638252133 352095966 /nfs/dbraw/zinc/09/59/66/352095966.db2.gz PPMLUKUKZOQKGL-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N(C)C1CC([NH3+])C1 ZINC000638255834 352099472 /nfs/dbraw/zinc/09/94/72/352099472.db2.gz OGPDRRISLHODDO-VQXHTEKXSA-N 2 0 227.352 0.698 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N(C)C1CC([NH3+])C1 ZINC000638255833 352099523 /nfs/dbraw/zinc/09/95/23/352099523.db2.gz OGPDRRISLHODDO-ILDUYXDCSA-N 2 0 227.352 0.698 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000638261706 352104308 /nfs/dbraw/zinc/10/43/08/352104308.db2.gz IPTVSNIBOTUMDG-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)Cc1[nH]cnc1C ZINC000638260253 352104432 /nfs/dbraw/zinc/10/44/32/352104432.db2.gz XKELTUVPUYPVRX-MRVPVSSYSA-N 2 0 210.281 0.114 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638263505 352105855 /nfs/dbraw/zinc/10/58/55/352105855.db2.gz RXVUFSXXSWYDAK-GHMZBOCLSA-N 2 0 237.347 0.538 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000638266549 352106213 /nfs/dbraw/zinc/10/62/13/352106213.db2.gz KMGRBXDMXIYISA-WDSKDSINSA-N 2 0 227.230 0.120 20 0 BCADRP O=C(CCC1C[NH2+]C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000638266527 352106241 /nfs/dbraw/zinc/10/62/41/352106241.db2.gz MTBVZOFVJILGFI-NWDGAFQWSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000638266198 352106327 /nfs/dbraw/zinc/10/63/27/352106327.db2.gz BVALWNNIQUWMER-WDEREUQCSA-N 2 0 239.363 0.572 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638271159 352109547 /nfs/dbraw/zinc/10/95/47/352109547.db2.gz TYIPQHIQZLDPSZ-ZJUUUORDSA-N 2 0 223.320 0.291 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638276222 352113026 /nfs/dbraw/zinc/11/30/26/352113026.db2.gz RPEAPLIEWRWZQF-VXGBXAGGSA-N 2 0 237.347 0.587 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000638278450 352114708 /nfs/dbraw/zinc/11/47/08/352114708.db2.gz BOKYBUZWYOBMLP-JTQLQIEISA-N 2 0 225.336 0.291 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000638333411 352151790 /nfs/dbraw/zinc/15/17/90/352151790.db2.gz QURSKHVSQMWWOU-YUMQZZPRSA-N 2 0 201.314 0.213 20 0 BCADRP CC[C@@H](C(=O)N[C@@H](C[NH3+])C(C)(C)C)[NH+](C)C ZINC000638333355 352151883 /nfs/dbraw/zinc/15/18/83/352151883.db2.gz QDOBTPLMWOPHAQ-UWVGGRQHSA-N 2 0 229.368 0.816 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH3+])C(C)(C)C)C1 ZINC000638335097 352151895 /nfs/dbraw/zinc/15/18/95/352151895.db2.gz GIDMVCYARDUJHS-QWRGUYRKSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@H](C(=O)N(C)[C@@H](C[NH3+])C1CC1)[NH+](C)C ZINC000638331404 352153236 /nfs/dbraw/zinc/15/32/36/352153236.db2.gz HQTLMDYJWWTEKK-MNOVXSKESA-N 2 0 227.352 0.522 20 0 BCADRP CN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@@H](C[NH3+])C1CC1 ZINC000638332056 352153900 /nfs/dbraw/zinc/15/39/00/352153900.db2.gz MDFFGMOGNYGKMC-MNOVXSKESA-N 2 0 223.320 0.230 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000638388012 352197142 /nfs/dbraw/zinc/19/71/42/352197142.db2.gz NBQRMEBUISFCDV-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP COc1cccc([C@@H]([NH3+])C(=O)N(C)CC[NH3+])c1 ZINC000638342483 352160043 /nfs/dbraw/zinc/16/00/43/352160043.db2.gz GZDOCRSWARTKHS-LLVKDONJSA-N 2 0 237.303 0.112 20 0 BCADRP C[NH2+]CCCN(C)C(=O)CCC1C[NH2+]C1 ZINC000638344408 352163743 /nfs/dbraw/zinc/16/37/43/352163743.db2.gz QGWGRBSCJUGLIL-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP C[NH+](C)CC1(C(=O)NC(C)(C)CC[NH3+])CC1 ZINC000638356125 352168314 /nfs/dbraw/zinc/16/83/14/352168314.db2.gz WPOUKRRTKWMHQU-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)CCC1C[NH2+]C1 ZINC000638355851 352168499 /nfs/dbraw/zinc/16/84/99/352168499.db2.gz RPHPSVFDAVJWTP-UHFFFAOYSA-N 2 0 213.325 0.230 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000638369952 352180300 /nfs/dbraw/zinc/18/03/00/352180300.db2.gz JQQIXTDIBNUFDU-MXWKQRLJSA-N 2 0 229.368 0.992 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000638370305 352180982 /nfs/dbraw/zinc/18/09/82/352180982.db2.gz KZGMHLOIBUKQCN-DTWKUNHWSA-N 2 0 239.319 0.902 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC000638369106 352181526 /nfs/dbraw/zinc/18/15/26/352181526.db2.gz PCVPKESTRKAWGS-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000638375926 352185894 /nfs/dbraw/zinc/18/58/94/352185894.db2.gz JUMKUDKCKZUWRX-MNOVXSKESA-N 2 0 239.363 0.775 20 0 BCADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000638374908 352187281 /nfs/dbraw/zinc/18/72/81/352187281.db2.gz RFQUPIBSJAULMG-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000638377438 352188844 /nfs/dbraw/zinc/18/88/44/352188844.db2.gz UJEMOSJBAAXCJM-RYUDHWBXSA-N 2 0 249.358 0.825 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)C[C@H](C)[NH3+] ZINC000638380058 352190322 /nfs/dbraw/zinc/19/03/22/352190322.db2.gz ADJWPYHVGGILAC-NSHDSACASA-N 2 0 229.368 0.818 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C3=CC[C@@H]([NH3+])C3)[C@H]2C1 ZINC000638313325 352140118 /nfs/dbraw/zinc/14/01/18/352140118.db2.gz UAEZXTVRPIBFLO-RTXFEEFZSA-N 2 0 249.358 0.587 20 0 BCADRP CN(C(=O)C1(C[NH+](C)C)CC1)[C@H](C[NH3+])C1CC1 ZINC000638328911 352146666 /nfs/dbraw/zinc/14/66/66/352146666.db2.gz MNIKSKSSTAFQMG-LLVKDONJSA-N 2 0 239.363 0.524 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638429888 352237855 /nfs/dbraw/zinc/23/78/55/352237855.db2.gz JDTMKQUADUIKAQ-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC000638431197 352239134 /nfs/dbraw/zinc/23/91/34/352239134.db2.gz CZAROEJLXJADOO-SECBINFHSA-N 2 0 213.325 0.052 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCCC1CC[NH2+]CC1 ZINC000638394432 352200873 /nfs/dbraw/zinc/20/08/73/352200873.db2.gz UTNMWXNKCYVCNE-SNVBAGLBSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@H](C(=O)N(C)CC(C)(C)[NH3+])[NH+](C)C ZINC000638402156 352208449 /nfs/dbraw/zinc/20/84/49/352208449.db2.gz KQYRZLMRCFQBNX-MRVPVSSYSA-N 2 0 201.314 0.132 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH3+])CCCC2)C1 ZINC000638409637 352216701 /nfs/dbraw/zinc/21/67/01/352216701.db2.gz NCRGLAKLEAGCHP-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC(C[NH3+])CC1)[NH+](C)C ZINC000236719777 187628940 /nfs/dbraw/zinc/62/89/40/187628940.db2.gz CVYLBVQINLQVJX-GFCCVEGCSA-N 2 0 241.379 0.770 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC000638417701 352227541 /nfs/dbraw/zinc/22/75/41/352227541.db2.gz IZZVQZSMPUNCGN-QWKFWESOSA-N 2 0 239.363 0.700 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000638424579 352232226 /nfs/dbraw/zinc/23/22/26/352232226.db2.gz CZBITJYGHISWAO-XSRFYTQQSA-N 2 0 237.347 0.196 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000638437770 352245287 /nfs/dbraw/zinc/24/52/87/352245287.db2.gz UVRVECMYPOEZDT-JQWIXIFHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H](CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1)[NH+](C)C ZINC000627052810 363172075 /nfs/dbraw/zinc/17/20/75/363172075.db2.gz SWDIGWHNQDHYDZ-DCAQKATOSA-N 2 0 242.367 0.376 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000638442263 352251325 /nfs/dbraw/zinc/25/13/25/352251325.db2.gz QYFRXBMPYMLAGG-CKYFFXLPSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638497753 352317647 /nfs/dbraw/zinc/31/76/47/352317647.db2.gz HOIPHNFHCLRDRL-ZJUUUORDSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638497743 352317750 /nfs/dbraw/zinc/31/77/50/352317750.db2.gz HOIPHNFHCLRDRL-NXEZZACHSA-N 2 0 225.336 0.243 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638499484 352319114 /nfs/dbraw/zinc/31/91/14/352319114.db2.gz PVKFLIPBAHXQND-NSHDSACASA-N 2 0 239.363 0.775 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627063219 363179482 /nfs/dbraw/zinc/17/94/82/363179482.db2.gz OUHSRORPQCHICX-ZJUUUORDSA-N 2 0 228.340 0.036 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC[NH2+]C1 ZINC000638499514 352319515 /nfs/dbraw/zinc/31/95/15/352319515.db2.gz PZWPCVMOZISLNW-PWSUYJOCSA-N 2 0 237.347 0.387 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC[NH2+]C ZINC000627062563 363180519 /nfs/dbraw/zinc/18/05/19/363180519.db2.gz KOIIAMZTTIDDED-VHSXEESVSA-N 2 0 228.340 0.036 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)CC1([NH3+])CCC1 ZINC000638484851 352294940 /nfs/dbraw/zinc/29/49/40/352294940.db2.gz UXZUAOPYDAXQAW-NSHDSACASA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C[C@H](C)[NH3+] ZINC000638485144 352295051 /nfs/dbraw/zinc/29/50/51/352295051.db2.gz XJMTXQXFHJEFRT-VHSXEESVSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000638487995 352298434 /nfs/dbraw/zinc/29/84/34/352298434.db2.gz DDSCDEXJHRQUEL-SRVKXCTJSA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000638491536 352302454 /nfs/dbraw/zinc/30/24/54/352302454.db2.gz JJAPYWWDKYQMJB-GMTAPVOTSA-N 2 0 225.336 0.180 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCC[NH2+]1 ZINC000638496881 352314549 /nfs/dbraw/zinc/31/45/49/352314549.db2.gz WSTRYYWPJYTTLH-ZJUUUORDSA-N 2 0 223.320 0.139 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH3+] ZINC000638519485 352352657 /nfs/dbraw/zinc/35/26/57/352352657.db2.gz VTVCMFDLVFPHDB-LLVKDONJSA-N 2 0 227.352 0.668 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638500961 352321216 /nfs/dbraw/zinc/32/12/16/352321216.db2.gz WUVMGXKEPOHICJ-IUCAKERBSA-N 2 0 211.309 0.125 20 0 BCADRP [NH3+]C1(CC(=O)N[C@H]2CC[NH2+]C23CCC3)CCC1 ZINC000638500414 352321249 /nfs/dbraw/zinc/32/12/49/352321249.db2.gz VFVJQAXDLAPMHT-JTQLQIEISA-N 2 0 237.347 0.659 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)C1CC[NH2+]CC1 ZINC000638500717 352321448 /nfs/dbraw/zinc/32/14/48/352321448.db2.gz WRSHTOYMNBYDNJ-LLVKDONJSA-N 2 0 237.347 0.387 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638505311 352326011 /nfs/dbraw/zinc/32/60/11/352326011.db2.gz KWZJQTIDBJNLLA-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638506906 352328635 /nfs/dbraw/zinc/32/86/35/352328635.db2.gz ZWBIYDJZWNECBN-LLVKDONJSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638511060 352335743 /nfs/dbraw/zinc/33/57/43/352335743.db2.gz ZGWQFGPZKVJAEC-LPEHRKFASA-N 2 0 225.336 0.371 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N(CC)CC[NH3+] ZINC000638522485 352355661 /nfs/dbraw/zinc/35/56/61/352355661.db2.gz HURBUBVGHMUKMQ-JTQLQIEISA-N 2 0 201.314 0.311 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000638522300 352355720 /nfs/dbraw/zinc/35/57/20/352355720.db2.gz DNYLNKCJQKWRJI-CYBMUJFWSA-N 2 0 247.342 0.508 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]1CCC[NH2+]CC1 ZINC000638516036 352342702 /nfs/dbraw/zinc/34/27/02/352342702.db2.gz KPQVGAYROLBGIL-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000638516031 352342779 /nfs/dbraw/zinc/34/27/79/352342779.db2.gz KMQKRRZYOZYFSI-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP CCN(CC[NH3+])C(=O)C1([NH2+]C2CC2)CCC1 ZINC000638515870 352342940 /nfs/dbraw/zinc/34/29/40/352342940.db2.gz HNORIXWBGAVGLL-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000638516225 352343986 /nfs/dbraw/zinc/34/39/86/352343986.db2.gz OTIVBOMBNGCMLQ-PWSUYJOCSA-N 2 0 225.336 0.183 20 0 BCADRP CCN(CC[NH3+])C(=O)CCC1CC[NH2+]CC1 ZINC000638516631 352345763 /nfs/dbraw/zinc/34/57/63/352345763.db2.gz FTOSALPEQRLBDL-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP CCN(CC[NH3+])C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000638516867 352346474 /nfs/dbraw/zinc/34/64/74/352346474.db2.gz YRGSJGRQSTUGLY-VHSXEESVSA-N 2 0 213.325 0.311 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000638517431 352348484 /nfs/dbraw/zinc/34/84/84/352348484.db2.gz UYGAJGPSFJHPGJ-SNVBAGLBSA-N 2 0 225.336 0.183 20 0 BCADRP CCN(CC[NH3+])C(=O)C1CC[NH+](C)CC1 ZINC000638518186 352349944 /nfs/dbraw/zinc/34/99/44/352349944.db2.gz HRDKETGKAYMXOY-UHFFFAOYSA-N 2 0 213.325 0.135 20 0 BCADRP CC[NH2+][C@H](C)C[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414952075 352371945 /nfs/dbraw/zinc/37/19/45/352371945.db2.gz HZSREWBUWFWHEI-QJPTWQEYSA-N 3 0 213.369 0.962 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000638566686 352393422 /nfs/dbraw/zinc/39/34/22/352393422.db2.gz CPSKGGWLSNQVDT-OUAUKWLOSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000638567286 352394496 /nfs/dbraw/zinc/39/44/96/352394496.db2.gz MIJCNHAMADQOLD-NWDGAFQWSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000638567516 352395071 /nfs/dbraw/zinc/39/50/71/352395071.db2.gz NMKKHJKKRNINAC-HBNTYKKESA-N 2 0 225.336 0.385 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000638572012 352396869 /nfs/dbraw/zinc/39/68/69/352396869.db2.gz CYYKHHMNUUQPEJ-AEJSXWLSSA-N 2 0 225.336 0.241 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000638572703 352401026 /nfs/dbraw/zinc/40/10/26/352401026.db2.gz VCLZICVCEJMRPV-XZUYRWCXSA-N 2 0 237.347 0.243 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638571873 352399044 /nfs/dbraw/zinc/39/90/44/352399044.db2.gz AVDNKQBHICPSLX-WHOHXGKFSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[NH2+]1 ZINC000638638227 352480162 /nfs/dbraw/zinc/48/01/62/352480162.db2.gz BOTHXUVLMYLXRD-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)C2CC[NH2+]CC2)C[NH2+]1 ZINC000638652805 352494081 /nfs/dbraw/zinc/49/40/81/352494081.db2.gz AEDTUZLYDOTULZ-ONGXEEELSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CCC[NH2+]1 ZINC000638640432 352484085 /nfs/dbraw/zinc/48/40/85/352484085.db2.gz BHWDEWXQJVYTMO-NTZNESFSSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)CC[C@H]2CC[NH2+]C2)C[NH2+]1 ZINC000638641598 352484874 /nfs/dbraw/zinc/48/48/74/352484874.db2.gz FRNWDTGULQPGGU-GRYCIOLGSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)c2coc(C[NH3+])c2)C[NH2+]1 ZINC000638644197 352485939 /nfs/dbraw/zinc/48/59/39/352485939.db2.gz ONKUAWLDVPYTBX-WPRPVWTQSA-N 2 0 237.303 0.609 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)c2coc(C[NH3+])c2)C[NH2+]1 ZINC000638644192 352485963 /nfs/dbraw/zinc/48/59/63/352485963.db2.gz ONKUAWLDVPYTBX-PSASIEDQSA-N 2 0 237.303 0.609 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643573 352486183 /nfs/dbraw/zinc/48/61/83/352486183.db2.gz LYLMYVGIBIAVFZ-GMTAPVOTSA-N 2 0 227.352 0.631 20 0 BCADRP CC1(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC[NH2+]CC1 ZINC000577851854 366083618 /nfs/dbraw/zinc/08/36/18/366083618.db2.gz NBWKGUSYLANIKR-GXFFZTMASA-N 2 0 237.347 0.244 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638644257 352487341 /nfs/dbraw/zinc/48/73/41/352487341.db2.gz OYNXCHGNTMFCOI-RHYQMDGZSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638644277 352487833 /nfs/dbraw/zinc/48/78/33/352487833.db2.gz PBJQYQJTNVLIBC-WHOHXGKFSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)CC2CC[NH2+]CC2)C[NH2+]1 ZINC000638652868 352494720 /nfs/dbraw/zinc/49/47/20/352494720.db2.gz BSNKMSYHVBUIOF-PWSUYJOCSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)C[NH2+]1 ZINC000638653764 352494963 /nfs/dbraw/zinc/49/49/63/352494963.db2.gz HBRNITLEMYCTBK-DCAQKATOSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@]2(C)CC[NH2+]C2)C[NH2+]1 ZINC000638654180 352496558 /nfs/dbraw/zinc/49/65/58/352496558.db2.gz JYQIDHBJDPXFCS-SCVCMEIPSA-N 2 0 225.336 0.243 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638653910 352496667 /nfs/dbraw/zinc/49/66/67/352496667.db2.gz IQTWELHZXCQJBK-SCVCMEIPSA-N 2 0 227.352 0.761 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638654157 352496822 /nfs/dbraw/zinc/49/68/22/352496822.db2.gz JJQGATWXAZCJRA-GUBZILKMSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC000638657008 352498065 /nfs/dbraw/zinc/49/80/65/352498065.db2.gz UZJDUTPVDSIRFC-OUAUKWLOSA-N 2 0 225.336 0.385 20 0 BCADRP [NH3+]C1(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000638668092 352512668 /nfs/dbraw/zinc/51/26/68/352512668.db2.gz HPDSCWLABYGANC-UHFFFAOYSA-N 2 0 247.298 0.598 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](C)[NH3+] ZINC000638690908 352527724 /nfs/dbraw/zinc/52/77/24/352527724.db2.gz UIOSNYOBGACJJF-IUCAKERBSA-N 2 0 216.329 0.150 20 0 BCADRP CC[NH+](CC)CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042165360 352613399 /nfs/dbraw/zinc/61/33/99/352613399.db2.gz RWIOSWPATREBAS-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042165697 352613820 /nfs/dbraw/zinc/61/38/20/352613820.db2.gz RZYGVPRTGOOPLS-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP CN(C(=O)C[C@@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000042165622 352613928 /nfs/dbraw/zinc/61/39/28/352613928.db2.gz KHFMNUNZINUWRK-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP CSC1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000300848642 352577060 /nfs/dbraw/zinc/57/70/60/352577060.db2.gz NIBRTFBXQCEUDH-UHFFFAOYSA-N 2 0 243.420 0.719 20 0 BCADRP C[NH+]1CCC(CNC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000044526604 352653899 /nfs/dbraw/zinc/65/38/99/352653899.db2.gz NEIXJCGPYHMZAZ-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000044751164 352655682 /nfs/dbraw/zinc/65/56/82/352655682.db2.gz LJSJUQXBVXOQOQ-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H](C)C[NH3+] ZINC000044806156 352657148 /nfs/dbraw/zinc/65/71/48/352657148.db2.gz UCIVEVHYWBZIKI-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H](C)[NH3+] ZINC000638766381 352703383 /nfs/dbraw/zinc/70/33/83/352703383.db2.gz VESWHXXYGGEGER-YTWAJWBKSA-N 2 0 227.352 0.472 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccnc(C[NH3+])c1 ZINC000638768356 352706087 /nfs/dbraw/zinc/70/60/87/352706087.db2.gz WWOJDHVJYMMOIH-GZMMTYOYSA-N 2 0 234.303 0.021 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638766918 352706783 /nfs/dbraw/zinc/70/67/83/352706783.db2.gz ZFPAYSMJKXKTAX-WCBMZHEXSA-N 2 0 237.303 0.527 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638767209 352706998 /nfs/dbraw/zinc/70/69/98/352706998.db2.gz AXANPWUKSHNJGK-RGOKHQFPSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000638767774 352708274 /nfs/dbraw/zinc/70/82/74/352708274.db2.gz KDZPDHNEZFEYHA-WCQGTBRESA-N 2 0 233.315 0.553 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+](C)C ZINC000638767933 352708291 /nfs/dbraw/zinc/70/82/91/352708291.db2.gz MMZBIORHYMJCSF-HBNTYKKESA-N 2 0 227.352 0.439 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC[C@H](C)[NH3+] ZINC000380249806 366084169 /nfs/dbraw/zinc/08/41/69/366084169.db2.gz PAAKVYMBYUOBTD-VIFPVBQESA-N 2 0 201.314 0.228 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000638774849 352716924 /nfs/dbraw/zinc/71/69/24/352716924.db2.gz VUINRFZAOAOBBP-IVZWLZJFSA-N 2 0 225.336 0.241 20 0 BCADRP C[C@@H](O)CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638746143 352678438 /nfs/dbraw/zinc/67/84/38/352678438.db2.gz DAXSCAHBGTXGGF-LLVKDONJSA-N 2 0 244.379 0.582 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000638776546 352725247 /nfs/dbraw/zinc/72/52/47/352725247.db2.gz FPMRCYBRRBBSEP-GXSJLCMTSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000627066694 363194947 /nfs/dbraw/zinc/19/49/47/363194947.db2.gz WHLPGDWQTBTLFG-GARJFASQSA-N 2 0 240.351 0.178 20 0 BCADRP [NH3+]Cc1ccc2c(c1)N(C(=O)[C@H]1CC[NH2+]1)CCO2 ZINC000638804559 352979525 /nfs/dbraw/zinc/97/95/25/352979525.db2.gz CDXMEZBHHSHOCE-SNVBAGLBSA-N 2 0 247.298 0.233 20 0 BCADRP O=C(NCc1cccc2c1CC[NH2+]C2)[C@H]1CC[NH2+]1 ZINC000638843566 353019819 /nfs/dbraw/zinc/01/98/19/353019819.db2.gz JZTJMTBUYYZCII-CYBMUJFWSA-N 2 0 245.326 0.310 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638844812 353025532 /nfs/dbraw/zinc/02/55/32/353025532.db2.gz AVAXBMPPKYRQIM-CYBMUJFWSA-N 2 0 247.342 0.686 20 0 BCADRP CN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000638854624 353029165 /nfs/dbraw/zinc/02/91/65/353029165.db2.gz SAGNNPOYAMBHBM-IJLUTSLNSA-N 2 0 237.347 0.276 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638818626 352998679 /nfs/dbraw/zinc/99/86/79/352998679.db2.gz CTAKQVZEABUWHP-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638818724 352999442 /nfs/dbraw/zinc/99/94/42/352999442.db2.gz FHQMRCMRPNSSIT-RKDXNWHRSA-N 2 0 249.305 0.699 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000638819269 352999470 /nfs/dbraw/zinc/99/94/70/352999470.db2.gz IJZNDGRNFJIOBX-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638819572 352999738 /nfs/dbraw/zinc/99/97/38/352999738.db2.gz KTKMOYIEWHQHFN-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]CCCCC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638820665 353001054 /nfs/dbraw/zinc/00/10/54/353001054.db2.gz YERANLUWXIHJJC-NSHDSACASA-N 2 0 227.352 0.845 20 0 BCADRP [NH3+]CCCC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638822148 353002954 /nfs/dbraw/zinc/00/29/54/353002954.db2.gz GYGSMITZLFTMAB-SNVBAGLBSA-N 2 0 213.325 0.455 20 0 BCADRP C[C@H](C(=O)N1CCCCC[C@H]([NH3+])C1)[NH+](C)C ZINC000638825824 353007226 /nfs/dbraw/zinc/00/72/26/353007226.db2.gz CANWIYSUTHLOEP-MNOVXSKESA-N 2 0 227.352 0.666 20 0 BCADRP C[C@@H](C(=O)N1CCCCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000638825828 353007567 /nfs/dbraw/zinc/00/75/67/353007567.db2.gz CANWIYSUTHLOEP-WDEREUQCSA-N 2 0 227.352 0.666 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cnccc1N ZINC000629531120 538107769 /nfs/dbraw/zinc/10/77/69/538107769.db2.gz ARXQXHSNEAUWAQ-JTQLQIEISA-N 2 0 238.335 0.381 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914577 353073518 /nfs/dbraw/zinc/07/35/18/353073518.db2.gz BLFGHCZNUXDSGL-MRBYEJRBSA-N 2 0 237.347 0.467 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915249 353074170 /nfs/dbraw/zinc/07/41/70/353074170.db2.gz KCJNJSCEEBUOFN-DCAQKATOSA-N 2 0 223.320 0.091 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000037484910 358474280 /nfs/dbraw/zinc/47/42/80/358474280.db2.gz ZUKCLACBZNMPEL-MNOVXSKESA-N 2 0 227.352 0.428 20 0 BCADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638911033 353075684 /nfs/dbraw/zinc/07/56/84/353075684.db2.gz YGWBUOCMORARGT-DMGDTADUSA-N 2 0 249.358 0.480 20 0 BCADRP Cn1ncnc1C[NH2+]CCCNc1ccccn1 ZINC000638874877 353045009 /nfs/dbraw/zinc/04/50/09/353045009.db2.gz XTZCISNBYMAXNQ-UHFFFAOYSA-N 2 0 246.318 0.802 20 0 BCADRP [NH3+][C@@H](CCNC(=O)[C@H]1CC[NH2+]1)Cc1ccccc1 ZINC000638881874 353048949 /nfs/dbraw/zinc/04/89/49/353048949.db2.gz VGTSWORIDRMSII-QWHCGFSZSA-N 2 0 247.342 0.425 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@H]1C[NH3+] ZINC000638884057 353051314 /nfs/dbraw/zinc/05/13/14/353051314.db2.gz FBCKLJIQEYNLOJ-MXWKQRLJSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000638937680 353111665 /nfs/dbraw/zinc/11/16/65/353111665.db2.gz UOVXKWWZSAXYNC-NOZJJQNGSA-N 2 0 245.326 0.852 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916068 353077673 /nfs/dbraw/zinc/07/76/73/353077673.db2.gz WQNKQAIPABKHNB-UWVGGRQHSA-N 2 0 246.314 0.334 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638919993 353078639 /nfs/dbraw/zinc/07/86/39/353078639.db2.gz XCEAAIWNYSTZHC-WHOHXGKFSA-N 2 0 237.347 0.467 20 0 BCADRP O=C(CC1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638917220 353081218 /nfs/dbraw/zinc/08/12/18/353081218.db2.gz CUJFZHPPAXMNLP-TXEJJXNPSA-N 2 0 237.347 0.339 20 0 BCADRP O=C([C@H]1CCCC[NH2+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638918491 353082960 /nfs/dbraw/zinc/08/29/60/353082960.db2.gz RQXBJNJHVUHBTN-OUAUKWLOSA-N 2 0 223.320 0.091 20 0 BCADRP CC[NH2+]CCNC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000627072182 363202863 /nfs/dbraw/zinc/20/28/63/363202863.db2.gz QFISFSRRMVQHAR-LLVKDONJSA-N 2 0 242.367 0.235 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924794 353085533 /nfs/dbraw/zinc/08/55/33/353085533.db2.gz FTNNKOQKWPJGCP-TUAOUCFPSA-N 2 0 237.347 0.434 20 0 BCADRP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926423 353086599 /nfs/dbraw/zinc/08/65/99/353086599.db2.gz GRMLWQVZXSPEPL-OPDFLTKYSA-N 2 0 249.358 0.339 20 0 BCADRP O=C([C@H]1C[C@]12CCC[NH2+]C2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926420 353086735 /nfs/dbraw/zinc/08/67/35/353086735.db2.gz GRMLWQVZXSPEPL-CZXHOFHRSA-N 2 0 249.358 0.339 20 0 BCADRP O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926543 353087225 /nfs/dbraw/zinc/08/72/25/353087225.db2.gz ISKLPLHLZRAHOZ-RNJOBUHISA-N 2 0 249.358 0.480 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc2c1C[NH2+]C2 ZINC000638929683 353090401 /nfs/dbraw/zinc/09/04/01/353090401.db2.gz HTBJGPHDRDVXEE-GXSJLCMTSA-N 2 0 245.326 0.852 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1CCc2nccn2C1 ZINC000638930145 353091115 /nfs/dbraw/zinc/09/11/15/353091115.db2.gz IULCNQIXSXMDSQ-OUAUKWLOSA-N 2 0 248.330 0.394 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000638931996 353093803 /nfs/dbraw/zinc/09/38/03/353093803.db2.gz UBIAEELIFUUUJE-UKKRHICBSA-N 2 0 225.336 0.452 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1(C[NH+](C)C)CC1 ZINC000638928942 353098963 /nfs/dbraw/zinc/09/89/63/353098963.db2.gz CYSZVELIVQUUMW-NXEZZACHSA-N 2 0 225.336 0.276 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000054133393 188006690 /nfs/dbraw/zinc/00/66/90/188006690.db2.gz WEZYDCKFKQEIIU-JTQLQIEISA-N 2 0 213.325 0.195 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000638942111 353135140 /nfs/dbraw/zinc/13/51/40/353135140.db2.gz DEINMTAXQPJVMG-GMTAPVOTSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638942169 353135256 /nfs/dbraw/zinc/13/52/56/353135256.db2.gz DRBSLXPHFONKTM-GMTAPVOTSA-N 2 0 227.352 0.476 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C2CC[NH2+]CC2)CC1 ZINC000638942549 353137333 /nfs/dbraw/zinc/13/73/33/353137333.db2.gz JNHGLIPHLCJCGP-UMSPYCQHSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC[NH2+]C1 ZINC000638943402 353141919 /nfs/dbraw/zinc/14/19/19/353141919.db2.gz SMSAFVDPIGVSQS-GVXVVHGQSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N)CC[NH2+]1 ZINC000295005544 188038089 /nfs/dbraw/zinc/03/80/89/188038089.db2.gz LQFZKYRZVRJHJK-BDAKNGLRSA-N 2 0 234.303 0.534 20 0 BCADRP C(C[NH+]1C[C@@H]2CCC[C@H]2C1)N1CC[NH2+]CC1 ZINC000126244390 188047297 /nfs/dbraw/zinc/04/72/97/188047297.db2.gz NSJYSEDZGYWVLW-STQMWFEESA-N 2 0 223.364 0.624 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000127131653 188047765 /nfs/dbraw/zinc/04/77/65/188047765.db2.gz HKOHWBUYNKXXKS-VXGBXAGGSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[C@H](C)NC(=O)CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163225673 188048304 /nfs/dbraw/zinc/04/83/04/188048304.db2.gz ZXHGVEZBALAGDF-WOPDTQHZSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000132010119 188048451 /nfs/dbraw/zinc/04/84/51/188048451.db2.gz PDZLQQIAKZMFNP-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C1CC[NH2+]CC1 ZINC000054133500 188048587 /nfs/dbraw/zinc/04/85/87/188048587.db2.gz LUEZEFHGJOOOCT-UHFFFAOYSA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1CCCO[C@@H](C[NH3+])C1 ZINC000331932478 188052996 /nfs/dbraw/zinc/05/29/96/188052996.db2.gz HSFOJIBNYISEDS-NEPJUHHUSA-N 2 0 229.368 0.409 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000638946358 353148162 /nfs/dbraw/zinc/14/81/62/353148162.db2.gz MMOUCMUCXPTAJD-OPRDCNLKSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CC1([NH3+])CCC1 ZINC000638946203 353148364 /nfs/dbraw/zinc/14/83/64/353148364.db2.gz LPBNGKZBFGWRJO-RKDXNWHRSA-N 2 0 211.309 0.206 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000638946355 353148523 /nfs/dbraw/zinc/14/85/23/353148523.db2.gz MMOUCMUCXPTAJD-BBBLOLIVSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCC(C)(C)[NH3+] ZINC000638945192 353148964 /nfs/dbraw/zinc/14/89/64/353148964.db2.gz CHRKNJVWLQIZOG-RKDXNWHRSA-N 2 0 213.325 0.452 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)[C@H](C)[NH3+] ZINC000638966558 353175029 /nfs/dbraw/zinc/17/50/29/353175029.db2.gz DHMHEVFKXBHTHN-LMLFDSFASA-N 2 0 227.352 0.603 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](C)C[NH3+] ZINC000336757739 353164591 /nfs/dbraw/zinc/16/45/91/353164591.db2.gz KFWHVLTYBYABMA-IUCAKERBSA-N 2 0 201.314 0.215 20 0 BCADRP CCC1([NH+](C)C)CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000638974994 353180705 /nfs/dbraw/zinc/18/07/05/353180705.db2.gz GCOLKTYNORUWIY-SNVBAGLBSA-N 2 0 227.352 0.666 20 0 BCADRP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000638975777 353181297 /nfs/dbraw/zinc/18/12/97/353181297.db2.gz PONOREHIRXNKKV-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP CC1(C(=O)NCC[C@@H]2CCC[NH2+]C2)C[NH2+]C1 ZINC000422817643 192478992 /nfs/dbraw/zinc/47/89/92/192478992.db2.gz DPDOILWQMWYSEM-JTQLQIEISA-N 2 0 225.336 0.102 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC1(C[NH3+])CCCCC1 ZINC000638999062 353245928 /nfs/dbraw/zinc/24/59/28/353245928.db2.gz WEMDVMCOYBUKHE-SNVBAGLBSA-N 2 0 227.352 0.762 20 0 BCADRP [NH3+]CC1(NC(=O)C[C@H]2CCC[NH2+]2)CCCCC1 ZINC000639001391 353249384 /nfs/dbraw/zinc/24/93/84/353249384.db2.gz KRRPNAFLGBWBHC-LLVKDONJSA-N 2 0 239.363 0.906 20 0 BCADRP O=C(CCC1C[NH2+]C1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000639001800 353249555 /nfs/dbraw/zinc/24/95/55/353249555.db2.gz OLXNAERAWPHUKW-YPMHNXCESA-N 2 0 237.347 0.244 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC1(C[NH3+])CCCCC1 ZINC000639001357 353249636 /nfs/dbraw/zinc/24/96/36/353249636.db2.gz JMGZMXLSQZOAAA-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)CNC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070074274 353253397 /nfs/dbraw/zinc/25/33/97/353253397.db2.gz ZSUSTEGATMSNSO-LBPRGKRZSA-N 2 0 241.379 0.819 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC1(C[NH3+])CCCCC1 ZINC000638998622 353242461 /nfs/dbraw/zinc/24/24/61/353242461.db2.gz SJBZXMYNKGPDHV-VIFPVBQESA-N 2 0 213.325 0.502 20 0 BCADRP [NH3+]CC1(NC(=O)C[NH2+]C2CC2)CCCCC1 ZINC000638997490 353243736 /nfs/dbraw/zinc/24/37/36/353243736.db2.gz UPFRVDDGYWLQLG-UHFFFAOYSA-N 2 0 225.336 0.516 20 0 BCADRP [NH3+]CC1(NC(=O)C2=CC[C@H]([NH3+])C2)CCCCC1 ZINC000638997497 353243752 /nfs/dbraw/zinc/24/37/52/353243752.db2.gz JJZILVSPZWNZGA-NSHDSACASA-N 2 0 237.347 0.812 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639021155 353279154 /nfs/dbraw/zinc/27/91/54/353279154.db2.gz CUVAXKDREAVRBE-OPRDCNLKSA-N 2 0 227.352 0.746 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N[C@@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000639030315 353295930 /nfs/dbraw/zinc/29/59/30/353295930.db2.gz SUZSPSRXCRSADV-DCAQKATOSA-N 2 0 223.320 0.420 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000019687812 188232424 /nfs/dbraw/zinc/23/24/24/188232424.db2.gz NIBDMEFIKCXNPN-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639025168 353284388 /nfs/dbraw/zinc/28/43/88/353284388.db2.gz YSKUEBJGZDKFRI-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CC=CCC1 ZINC000355368445 188236715 /nfs/dbraw/zinc/23/67/15/188236715.db2.gz SXQHOQKRNWZSAO-UHFFFAOYSA-N 2 0 239.363 0.705 20 0 BCADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)[NH3+] ZINC000251786760 353288114 /nfs/dbraw/zinc/28/81/14/353288114.db2.gz NFMISMLWBUSGDI-UWVGGRQHSA-N 2 0 225.336 0.419 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000367359272 188241499 /nfs/dbraw/zinc/24/14/99/188241499.db2.gz VKEUQJBTBHRGLW-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639028260 353288674 /nfs/dbraw/zinc/28/86/74/353288674.db2.gz XSZIJIUNLAFHQC-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639027954 353291119 /nfs/dbraw/zinc/29/11/19/353291119.db2.gz UUABUYDDZGNDPU-QWRGUYRKSA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)([NH3+])CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000378187402 188251850 /nfs/dbraw/zinc/25/18/50/188251850.db2.gz KKPBKHLFHDEPCH-UHFFFAOYSA-N 2 0 247.342 0.336 20 0 BCADRP C[C@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251819492 353292877 /nfs/dbraw/zinc/29/28/77/353292877.db2.gz OWWCSQBRLBTKBL-VWYCJHECSA-N 2 0 225.336 0.419 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)Cn1ccnc1 ZINC000036999434 188255136 /nfs/dbraw/zinc/25/51/36/188255136.db2.gz VVSQTLKZFHGHSI-GHMZBOCLSA-N 2 0 238.335 0.761 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)Cn1ccnc1 ZINC000036999432 188255474 /nfs/dbraw/zinc/25/54/74/188255474.db2.gz VVSQTLKZFHGHSI-WDEREUQCSA-N 2 0 238.335 0.761 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000336667218 188255801 /nfs/dbraw/zinc/25/58/01/188255801.db2.gz MDYYLAJTZAZWGQ-ZJUUUORDSA-N 2 0 213.325 0.086 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N(C)C1CC[NH+](C)CC1 ZINC000044793720 188258116 /nfs/dbraw/zinc/25/81/16/188258116.db2.gz SPVNAHNUXKSRGS-LBPRGKRZSA-N 2 0 241.379 0.770 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000044802722 188258199 /nfs/dbraw/zinc/25/81/99/188258199.db2.gz RVXNPXUKPQCTBY-MNOVXSKESA-N 2 0 227.352 0.285 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)c1ccnc(C[NH3+])c1 ZINC000577859384 366087181 /nfs/dbraw/zinc/08/71/81/366087181.db2.gz YNWNEHXJKNMTRJ-SECBINFHSA-N 2 0 236.319 0.268 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000639021663 353279860 /nfs/dbraw/zinc/27/98/60/353279860.db2.gz HGIUGLGDAOUPML-GMTAPVOTSA-N 2 0 225.336 0.515 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000037476383 188281167 /nfs/dbraw/zinc/28/11/67/188281167.db2.gz QCOYRTFAFWUBPL-JTQLQIEISA-N 2 0 213.325 0.276 20 0 BCADRP CC(C)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000036787400 188286497 /nfs/dbraw/zinc/28/64/97/188286497.db2.gz YAGPAXUHRDBWEO-NSHDSACASA-N 2 0 227.352 0.395 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000252439753 353299669 /nfs/dbraw/zinc/29/96/69/353299669.db2.gz SFONRDQYIAQCBS-HBNTYKKESA-N 2 0 227.352 0.428 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC000639031867 353301551 /nfs/dbraw/zinc/30/15/51/353301551.db2.gz YQVJZZKIVPJDGJ-BJDJZHNGSA-N 2 0 239.363 0.761 20 0 BCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252850783 353312041 /nfs/dbraw/zinc/31/20/41/353312041.db2.gz HTQUOXWJHNSQIV-GARJFASQSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000363668704 188322652 /nfs/dbraw/zinc/32/26/52/188322652.db2.gz GNEAPEXKLYIUEE-IVZWLZJFSA-N 2 0 225.336 0.310 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000054341860 353333425 /nfs/dbraw/zinc/33/34/25/353333425.db2.gz JHTNXPZRPSEWIL-LLVKDONJSA-N 2 0 227.352 0.381 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1NCc1nccn1C ZINC000252894344 353312908 /nfs/dbraw/zinc/31/29/08/353312908.db2.gz UXWHPXDHVDSRNQ-WDEREUQCSA-N 2 0 222.336 0.850 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000639040420 353316205 /nfs/dbraw/zinc/31/62/05/353316205.db2.gz DUJLNZCPVJONEO-HAQNSBGRSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000253232419 353327302 /nfs/dbraw/zinc/32/73/02/353327302.db2.gz FERDSJRTCNHISX-VLEAKVRGSA-N 2 0 227.352 0.474 20 0 BCADRP [NH3+]C[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000563713864 353357995 /nfs/dbraw/zinc/35/79/95/353357995.db2.gz MXKFWNPVZOLCPV-NWDGAFQWSA-N 2 0 227.352 0.036 20 0 BCADRP COCC1(C[NH2+]C[C@]2(O)CCN(C)C2)CCC1 ZINC000639049230 353343416 /nfs/dbraw/zinc/34/34/16/353343416.db2.gz LAWRQZSDRVEBNE-CYBMUJFWSA-N 2 0 242.363 0.459 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000165430980 353348463 /nfs/dbraw/zinc/34/84/63/353348463.db2.gz LLOUMQKGFNBOFO-GARJFASQSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCC1C[NH2+]C1 ZINC000334503489 353350516 /nfs/dbraw/zinc/35/05/16/353350516.db2.gz NNTIDAUPWWHBAA-JQWIXIFHSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639072858 353390274 /nfs/dbraw/zinc/39/02/74/353390274.db2.gz ZZBJBBLIHCMTTR-VHSXEESVSA-N 2 0 233.315 0.813 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364573769 188352742 /nfs/dbraw/zinc/35/27/42/188352742.db2.gz CLDCGRHZFMELBZ-MDZLAQPJSA-N 2 0 239.363 0.476 20 0 BCADRP [NH3+]CCC(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639071462 353386834 /nfs/dbraw/zinc/38/68/34/353386834.db2.gz KMGBQFOESBXBDR-JTQLQIEISA-N 2 0 233.315 0.814 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627078507 363222533 /nfs/dbraw/zinc/22/25/33/363222533.db2.gz AOHWVHHGZJLEKX-ZJUUUORDSA-N 2 0 240.351 0.165 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000337502503 188363095 /nfs/dbraw/zinc/36/30/95/188363095.db2.gz DWGSFBZJCASDLQ-DCAQKATOSA-N 2 0 227.352 0.556 20 0 BCADRP CO[C@H](C)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639091139 353452352 /nfs/dbraw/zinc/45/23/52/353452352.db2.gz MHAQSODLPLEGAL-LLVKDONJSA-N 2 0 244.379 0.846 20 0 BCADRP CC[NH2+]CCCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000571669493 353490085 /nfs/dbraw/zinc/49/00/85/353490085.db2.gz QIERPOJUFCHUDQ-NWDGAFQWSA-N 2 0 213.369 0.964 20 0 BCADRP [NH3+][C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000191340702 353463339 /nfs/dbraw/zinc/46/33/39/353463339.db2.gz FHAYAFGFSYHKII-VXGBXAGGSA-N 2 0 233.315 0.636 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627082089 363231207 /nfs/dbraw/zinc/23/12/07/363231207.db2.gz BKFQNEINSACMKO-OPRDCNLKSA-N 2 0 228.340 0.163 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000295306530 188393857 /nfs/dbraw/zinc/39/38/57/188393857.db2.gz YCDKQEBSWTYXHI-DGCLKSJQSA-N 2 0 247.342 0.815 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)N[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000627083109 363232305 /nfs/dbraw/zinc/23/23/05/363232305.db2.gz PJYYPSXKHFHRMO-DCAQKATOSA-N 2 0 240.351 0.178 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)NCC2([NH3+])CCC2)C[NH2+]1 ZINC000627083802 363233423 /nfs/dbraw/zinc/23/34/23/363233423.db2.gz KVJMJYKWYDCHHD-UWVGGRQHSA-N 2 0 240.351 0.308 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)NC[C@H]([NH3+])C2CC2)C[NH2+]1 ZINC000627082584 363233541 /nfs/dbraw/zinc/23/35/41/363233541.db2.gz HOQOTLCYHCISRN-IEBDPFPHSA-N 2 0 240.351 0.163 20 0 BCADRP C[C@H](O)CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639103016 353574764 /nfs/dbraw/zinc/57/47/64/353574764.db2.gz DAXSCAHBGTXGGF-NSHDSACASA-N 2 0 244.379 0.582 20 0 BCADRP C[NH2+]CC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000193131719 353575513 /nfs/dbraw/zinc/57/55/13/353575513.db2.gz LCCLJVYBTJVFSW-UHFFFAOYSA-N 2 0 229.368 0.831 20 0 BCADRP C[C@H](CNC(=O)CC[C@H](C)[NH3+])[N@H+](C)C1CC1 ZINC000193309843 353590441 /nfs/dbraw/zinc/59/04/41/353590441.db2.gz NKQBHHFIDNAJBQ-VHSXEESVSA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193639530 353603833 /nfs/dbraw/zinc/60/38/33/353603833.db2.gz NACZGKGFOFYYJN-ZDCRXTMVSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000193566051 353601483 /nfs/dbraw/zinc/60/14/83/353601483.db2.gz ICSCAAHMFADXMH-HBNTYKKESA-N 2 0 225.336 0.243 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000062112410 353550781 /nfs/dbraw/zinc/55/07/81/353550781.db2.gz QFFWTMABOORHKT-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP CCN(CC[NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000627084622 363237949 /nfs/dbraw/zinc/23/79/49/363237949.db2.gz XHCHONAQLJWFJX-LBPRGKRZSA-N 2 0 242.367 0.366 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000627086658 363240340 /nfs/dbraw/zinc/24/03/40/363240340.db2.gz YVZJRZNZZOTTNU-JTQLQIEISA-N 2 0 228.340 0.119 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)N[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000627086323 363240358 /nfs/dbraw/zinc/24/03/58/363240358.db2.gz PJYYPSXKHFHRMO-HBNTYKKESA-N 2 0 240.351 0.178 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000627088302 363241050 /nfs/dbraw/zinc/24/10/50/363241050.db2.gz PNJNEJNOLZMBKG-LNFKQOIKSA-N 2 0 240.351 0.306 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000627088379 363241288 /nfs/dbraw/zinc/24/12/88/363241288.db2.gz QTQMFGOXXCYQDK-UWVGGRQHSA-N 2 0 228.340 0.247 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000627088305 363241366 /nfs/dbraw/zinc/24/13/66/363241366.db2.gz PNJNEJNOLZMBKG-ZRUFSTJUSA-N 2 0 240.351 0.306 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627090266 363243307 /nfs/dbraw/zinc/24/33/07/363243307.db2.gz QUIDZNHHGGXMSZ-KXUCPTDWSA-N 2 0 228.340 0.034 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CC(F)(F)CN ZINC000577883105 366095392 /nfs/dbraw/zinc/09/53/92/366095392.db2.gz MIRGHHMOMOFQNW-NKWVEPMBSA-N 2 0 223.267 0.213 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000627090548 363243664 /nfs/dbraw/zinc/24/36/64/363243664.db2.gz WZUOTXIBQLHJRU-VPOLOUISSA-N 2 0 240.351 0.177 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195227083 353734947 /nfs/dbraw/zinc/73/49/47/353734947.db2.gz PGNVPRJMHYLQPE-PHIMTYICSA-N 2 0 225.336 0.006 20 0 BCADRP C[NH2+]CC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000178217174 366106241 /nfs/dbraw/zinc/10/62/41/366106241.db2.gz XJVANCMNIXKXQK-QMMMGPOBSA-N 2 0 207.277 0.864 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627096020 363253308 /nfs/dbraw/zinc/25/33/08/363253308.db2.gz OQIOEGUEHZETJJ-OUAUKWLOSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627093191 363249485 /nfs/dbraw/zinc/24/94/85/363249485.db2.gz JVGRYIPGKBCMHC-VHSXEESVSA-N 2 0 228.340 0.165 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000261545241 535247202 /nfs/dbraw/zinc/24/72/02/535247202.db2.gz JRYKRNYLEPHZAB-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000627096889 363257366 /nfs/dbraw/zinc/25/73/66/363257366.db2.gz FOCFDDOHPOSSAH-OPRDCNLKSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627098973 363257416 /nfs/dbraw/zinc/25/74/16/363257416.db2.gz ZOGAJPBKWMYLGI-IMSYWVGJSA-N 2 0 228.340 0.162 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000343414953 353879718 /nfs/dbraw/zinc/87/97/18/353879718.db2.gz KFTBMROJRZCIIU-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000178410598 366122644 /nfs/dbraw/zinc/12/26/44/366122644.db2.gz JBSAJLANATWPBQ-LBPRGKRZSA-N 2 0 235.331 0.455 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC1(C[NH3+])CC1 ZINC000627109417 363269451 /nfs/dbraw/zinc/26/94/51/363269451.db2.gz HEHTVHKJQRQNBJ-VHSXEESVSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000343497551 353913060 /nfs/dbraw/zinc/91/30/60/353913060.db2.gz DSDDBRVTALCBFG-RHYQMDGZSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC1CCC(C[NH3+])CC1 ZINC000343602266 353930861 /nfs/dbraw/zinc/93/08/61/353930861.db2.gz QQPPSUMSNSFOIO-UNXYVOJBSA-N 2 0 241.379 0.995 20 0 BCADRP [NH3+]CC1CCC(CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000343609513 353932472 /nfs/dbraw/zinc/93/24/72/353932472.db2.gz WMVQLTBKNNDOAG-HTAVTVPLSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000343595574 353943303 /nfs/dbraw/zinc/94/33/03/353943303.db2.gz LSZHMJWESSINIB-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP CCN(CC[NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000627110993 363270489 /nfs/dbraw/zinc/27/04/89/363270489.db2.gz LLQKCRJPXSFAFE-UHFFFAOYSA-N 2 0 242.367 0.366 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000343468940 353899225 /nfs/dbraw/zinc/89/92/25/353899225.db2.gz ARPCBPJVNQLKCZ-GMTAPVOTSA-N 2 0 227.352 0.489 20 0 BCADRP CO[C@@H]1CC[NH+](CCC[N@H+]2CC[C@H](OC)C2)C1 ZINC000343746566 353970906 /nfs/dbraw/zinc/97/09/06/353970906.db2.gz TUMXYZSLVHMPOV-BETUJISGSA-N 2 0 242.363 0.818 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000366844079 353983714 /nfs/dbraw/zinc/98/37/14/353983714.db2.gz MRWCWPGFTVPIMW-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]([NH3+])c1ccccc1 ZINC000343647456 353952929 /nfs/dbraw/zinc/95/29/29/353952929.db2.gz TVRLAPHLYGQFSS-ADEWGFFLSA-N 2 0 233.315 0.635 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)N(CC)CC[NH3+])C1 ZINC000627117709 363283831 /nfs/dbraw/zinc/28/38/31/363283831.db2.gz WBBQXBIHIXZCBB-LLVKDONJSA-N 2 0 242.367 0.461 20 0 BCADRP CO[C@@H](C[N@H+](C)CCC[NH+](C)C)[C@H]1CCOC1 ZINC000639167743 354039605 /nfs/dbraw/zinc/03/96/05/354039605.db2.gz KQQZVOFRDRXVPE-STQMWFEESA-N 2 0 244.379 0.921 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627126755 363295247 /nfs/dbraw/zinc/29/52/47/363295247.db2.gz KNVCBTINBZXGLU-JTQLQIEISA-N 2 0 240.351 0.261 20 0 BCADRP C[NH+](C)CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC000343857748 354024123 /nfs/dbraw/zinc/02/41/23/354024123.db2.gz VVDVGVUWRYPSOO-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)C[NH2+]C ZINC000627118632 363286800 /nfs/dbraw/zinc/28/68/00/363286800.db2.gz FWHVVSMOBGYJAV-LPEHRKFASA-N 2 0 228.340 0.034 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)CCC[NH3+] ZINC000230711145 363320841 /nfs/dbraw/zinc/32/08/41/363320841.db2.gz AOJCOQQWFGHJJH-UHFFFAOYSA-N 2 0 215.341 0.526 20 0 BCADRP COC[C@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344044226 354110801 /nfs/dbraw/zinc/11/08/01/354110801.db2.gz JBWVHANGBUWTGB-ZDUSSCGKSA-N 2 0 245.411 0.837 20 0 BCADRP C[C@@H]1C[C@@H](C(=O)NCC[NH+](C)C)CC[N@@H+]1C ZINC000344182375 354176603 /nfs/dbraw/zinc/17/66/03/354176603.db2.gz HKZXGRTXHIPVSQ-MNOVXSKESA-N 2 0 227.352 0.395 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449726414 202008025 /nfs/dbraw/zinc/00/80/25/202008025.db2.gz KXLUZSHNTJHFFT-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000334581120 354199089 /nfs/dbraw/zinc/19/90/89/354199089.db2.gz LXYXRPLUQMIVPS-BDAKNGLRSA-N 2 0 247.289 0.242 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000334582496 354202276 /nfs/dbraw/zinc/20/22/76/354202276.db2.gz QQLTYFVSCKLUQN-JGVFFNPUSA-N 2 0 249.305 0.473 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000627135094 363351269 /nfs/dbraw/zinc/35/12/69/363351269.db2.gz NCHFJLYKVQCHFM-GHMZBOCLSA-N 2 0 240.351 0.071 20 0 BCADRP CN(CCC[NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000627134882 363351342 /nfs/dbraw/zinc/35/13/42/363351342.db2.gz GMIUDSDISVEHLY-SNVBAGLBSA-N 2 0 228.340 0.071 20 0 BCADRP C[C@H](CC(=O)NCC[C@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000178681379 366154532 /nfs/dbraw/zinc/15/45/32/366154532.db2.gz DKVHRGAGZQGGFC-MNOVXSKESA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C1([NH3+])CCCCC1 ZINC000334621317 354358569 /nfs/dbraw/zinc/35/85/69/354358569.db2.gz SWXMXOXLBVCZBD-IUCAKERBSA-N 2 0 213.325 0.500 20 0 BCADRP C[C@H]([NH2+]CCCOCCO)C1CC[NH+](C)CC1 ZINC000227500334 491061878 /nfs/dbraw/zinc/06/18/78/491061878.db2.gz KYBJFMDCZXTRLT-LBPRGKRZSA-N 2 0 244.379 0.705 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000449750518 202019726 /nfs/dbraw/zinc/01/97/26/202019726.db2.gz VBJVLHOJRAAKDB-SNVBAGLBSA-N 2 0 225.336 0.243 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](O)C2)[C@@H](C)C1 ZINC000449750950 202019377 /nfs/dbraw/zinc/01/93/77/202019377.db2.gz KIDIEYJJHBGPEF-NNYUYHANSA-N 2 0 212.337 0.830 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[NH+]2CCC1CC2 ZINC000578011067 366177832 /nfs/dbraw/zinc/17/78/32/366177832.db2.gz OSWCFBPXLLJEPB-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP COCCCN(C)CC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000344776247 354361886 /nfs/dbraw/zinc/36/18/86/354361886.db2.gz PCOYHUPVILDMMC-CHWSQXEVSA-N 2 0 243.395 0.494 20 0 BCADRP CCCN(C(=O)C[NH2+]C1CC1)[C@H]1CC[NH2+]C1 ZINC000178907776 366179878 /nfs/dbraw/zinc/17/98/78/366179878.db2.gz VBVLFZNZUFPYNK-NSHDSACASA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H](CN1CCOCC1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000578013522 366179975 /nfs/dbraw/zinc/17/99/75/366179975.db2.gz RJWSQKWNLQNJHU-CHWSQXEVSA-N 2 0 241.379 0.378 20 0 BCADRP C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC000578016351 366180074 /nfs/dbraw/zinc/18/00/74/366180074.db2.gz VXHIZEAKEDMTFN-MXWKQRLJSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449750354 202019501 /nfs/dbraw/zinc/01/95/01/202019501.db2.gz IRYVKFHOODGZJC-WCBMZHEXSA-N 2 0 225.336 0.384 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000578026513 366191721 /nfs/dbraw/zinc/19/17/21/366191721.db2.gz WFHDPTJUYZICGW-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000578026514 366192077 /nfs/dbraw/zinc/19/20/77/366192077.db2.gz WFHDPTJUYZICGW-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000334707314 354501820 /nfs/dbraw/zinc/50/18/20/354501820.db2.gz BXMZXFFZEFNONJ-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000345690169 354732945 /nfs/dbraw/zinc/73/29/45/354732945.db2.gz KEKQNYGRWTYHNR-DGCLKSJQSA-N 2 0 241.379 0.962 20 0 BCADRP CN(C)C(=O)CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000345709062 354755612 /nfs/dbraw/zinc/75/56/12/354755612.db2.gz HUJXEBFYRMDHNN-GFCCVEGCSA-N 2 0 241.379 0.738 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000335120118 354758128 /nfs/dbraw/zinc/75/81/28/354758128.db2.gz OLZPSFFYIMVEIB-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH+]1CCC([NH2+]CCCCO)CC1 ZINC000233471679 363403984 /nfs/dbraw/zinc/40/39/84/363403984.db2.gz INAWFLNVXRXINW-UHFFFAOYSA-N 2 0 200.326 0.833 20 0 BCADRP C[C@@H]([NH2+]CCCOCCO)C1CC[NH+](C)CC1 ZINC000227500323 491067660 /nfs/dbraw/zinc/06/76/60/491067660.db2.gz KYBJFMDCZXTRLT-GFCCVEGCSA-N 2 0 244.379 0.705 20 0 BCADRP C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)C[C@H](C)O ZINC000398644109 363394070 /nfs/dbraw/zinc/39/40/70/363394070.db2.gz WANSXFPBASAWFQ-AGIUHOORSA-N 2 0 244.379 0.440 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](O)C2)[C@@H](C)C1 ZINC000449750953 202020869 /nfs/dbraw/zinc/02/08/69/202020869.db2.gz KIDIEYJJHBGPEF-YFKTTZPYSA-N 2 0 212.337 0.830 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000235468793 363445340 /nfs/dbraw/zinc/44/53/40/363445340.db2.gz CYKDOZDUCXFPPU-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000530218777 324537263 /nfs/dbraw/zinc/53/72/63/324537263.db2.gz HBLRMGDVRMRREV-UPOSSJBDSA-N 2 0 210.321 0.882 20 0 BCADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[NH3+] ZINC000166061185 354969396 /nfs/dbraw/zinc/96/93/96/354969396.db2.gz CMAYYLCLMHMSAT-GRYCIOLGSA-N 2 0 241.379 0.818 20 0 BCADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000346542700 354982443 /nfs/dbraw/zinc/98/24/43/354982443.db2.gz IWHQSQHIIWGYMM-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP C[C@H](N[C@@H]1CC[NH2+]C12CCC2)C1C[NH2+]C1 ZINC000530217614 324535073 /nfs/dbraw/zinc/53/50/73/324535073.db2.gz UJTHNJIWSPVZKW-GXSJLCMTSA-N 2 0 209.337 0.469 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000335963672 134027790 /nfs/dbraw/zinc/02/77/90/134027790.db2.gz VFMWCSVIZIGRMZ-QWRGUYRKSA-N 2 0 239.363 0.844 20 0 BCADRP Cc1cnc(CN2C[C@H](C[NH3+])C[C@@H]2C)cn1 ZINC000346686315 355013087 /nfs/dbraw/zinc/01/30/87/355013087.db2.gz UAOVNTWDFWGCSL-QWRGUYRKSA-N 2 0 220.320 0.954 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(Cc2cnc(N(C)C)nc2)C1 ZINC000346693024 355075995 /nfs/dbraw/zinc/07/59/95/355075995.db2.gz KJPMDRYGEWXMFM-ZYHUDNBSSA-N 2 0 249.362 0.712 20 0 BCADRP C[C@@H]1CN(C(=O)CC[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000335224377 355065714 /nfs/dbraw/zinc/06/57/14/355065714.db2.gz MZQCUMZDHUXCKJ-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP COCC[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346814666 355122853 /nfs/dbraw/zinc/12/28/53/355122853.db2.gz CCDGVXNENNSJDJ-ZDUSSCGKSA-N 2 0 241.379 0.250 20 0 BCADRP CC[C@@H]1CN(CC(C)(C)[NH3+])CC[N@@H+]1CCOC ZINC000346816980 355122879 /nfs/dbraw/zinc/12/28/79/355122879.db2.gz BJYCYOKTDGETEA-GFCCVEGCSA-N 2 0 243.395 0.766 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000040503643 358493938 /nfs/dbraw/zinc/49/39/38/358493938.db2.gz WXLANANQACWFBT-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP COC(=O)[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000346836327 355131737 /nfs/dbraw/zinc/13/17/37/355131737.db2.gz OZTDNAOZXRCHGU-GFCCVEGCSA-N 2 0 240.347 0.871 20 0 BCADRP NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346850237 355137562 /nfs/dbraw/zinc/13/75/62/355137562.db2.gz PUJYHNBPWYFGTG-NEPJUHHUSA-N 2 0 239.363 0.716 20 0 BCADRP CC1CC[NH+](CC(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000335244938 355158916 /nfs/dbraw/zinc/15/89/16/355158916.db2.gz CPAYLWLZLJLGGS-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)([NH3+])CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000346971226 355175683 /nfs/dbraw/zinc/17/56/83/355175683.db2.gz GLWFDJAYNCMKLY-LBPRGKRZSA-N 2 0 241.379 0.378 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000346985975 355187606 /nfs/dbraw/zinc/18/76/06/355187606.db2.gz RHFLOYWWLVUHHK-AGIUHOORSA-N 2 0 223.364 0.670 20 0 BCADRP CCC[C@H]1C(=O)NCC[N@H+]1CC1CC[NH2+]CC1 ZINC000347008729 355204059 /nfs/dbraw/zinc/20/40/59/355204059.db2.gz SAXZWSLMMMLZBT-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000347633955 355243086 /nfs/dbraw/zinc/24/30/86/355243086.db2.gz UCMSQNKMLUDLKM-ZNSHCXBVSA-N 2 0 225.336 0.371 20 0 BCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000623226456 355291282 /nfs/dbraw/zinc/29/12/82/355291282.db2.gz BCDHLSGRHTZHJI-MNOVXSKESA-N 2 0 225.336 0.291 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCNC2=O)CC[N@@H+]1C ZINC000639259623 355309946 /nfs/dbraw/zinc/30/99/46/355309946.db2.gz BTANNCDYEMHTRC-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000583502554 355331569 /nfs/dbraw/zinc/33/15/69/355331569.db2.gz UXETWNLHXNSOAJ-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000094295241 487527632 /nfs/dbraw/zinc/52/76/32/487527632.db2.gz GNKDJQSRJOPHOV-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]1C[C@H](C[NH2+]C2(CO)CCC2)CC[NH2+]1 ZINC000414713803 191554536 /nfs/dbraw/zinc/55/45/36/191554536.db2.gz UKOBXOFMCHRPIA-WDEREUQCSA-N 2 0 212.337 0.879 20 0 BCADRP CC1CC([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000414784414 191567415 /nfs/dbraw/zinc/56/74/15/191567415.db2.gz SFTPHHIBACOHIV-UHFFFAOYSA-N 2 0 211.353 0.670 20 0 BCADRP [NH3+]CCC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000335813560 355501274 /nfs/dbraw/zinc/50/12/74/355501274.db2.gz BBIXLKXUZNMJGD-LLVKDONJSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000349943484 355532676 /nfs/dbraw/zinc/53/26/76/355532676.db2.gz ZVMVPNZZIZGGPG-KKOKHZNYSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CCN1CC[NH2+]CC1 ZINC000414892229 191616977 /nfs/dbraw/zinc/61/69/77/191616977.db2.gz XNOSWGLRIXBXBD-QWHCGFSZSA-N 3 0 240.395 0.012 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000335829747 355555169 /nfs/dbraw/zinc/55/51/69/355555169.db2.gz URTHGTBFDIMSRS-NWDGAFQWSA-N 2 0 233.315 0.507 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C1CC[NH+](C)CC1 ZINC000349910948 355524628 /nfs/dbraw/zinc/52/46/28/355524628.db2.gz BAWHXAPDPGOEJW-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000582181801 355645928 /nfs/dbraw/zinc/64/59/28/355645928.db2.gz RUJZUEHGOKSNAP-JHJVBQTASA-N 2 0 241.379 0.472 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000417886838 355632017 /nfs/dbraw/zinc/63/20/17/355632017.db2.gz ZGUDSWHAQZDEOW-WCABBAIRSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000335895540 355689826 /nfs/dbraw/zinc/68/98/26/355689826.db2.gz WFIMPJBDTYJKCZ-GXTWGEPZSA-N 2 0 247.342 0.884 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000335895525 355690264 /nfs/dbraw/zinc/69/02/64/355690264.db2.gz ZYMODPYWMVXSDB-ZYHUDNBSSA-N 2 0 239.363 0.892 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H]2CC23CC[NH2+]CC3)CCC1 ZINC000335886818 355678045 /nfs/dbraw/zinc/67/80/45/355678045.db2.gz MGCNCQSKWHSTBB-SNVBAGLBSA-N 2 0 237.347 0.374 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000639312799 355684187 /nfs/dbraw/zinc/68/41/87/355684187.db2.gz MYCMGKHWAFQSIY-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](O)C1([NH2+][C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000639329211 355742303 /nfs/dbraw/zinc/74/23/03/355742303.db2.gz VSYMSKNIDSWPMF-GMTAPVOTSA-N 2 0 212.337 0.972 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)NCC[NH+](C)C ZINC000350732702 355752725 /nfs/dbraw/zinc/75/27/25/355752725.db2.gz RPMBPWIRYFNMFP-LLVKDONJSA-N 2 0 244.383 0.578 20 0 BCADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH3+] ZINC000417323215 191793026 /nfs/dbraw/zinc/79/30/26/191793026.db2.gz GHJVKUICCXTAJF-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP CCCC[NH+]1CCC(NC(=O)NCC[NH3+])CC1 ZINC000417399235 191827252 /nfs/dbraw/zinc/82/72/52/191827252.db2.gz WJEXIRDXSCVUFD-UHFFFAOYSA-N 2 0 242.367 0.509 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000417448955 191843077 /nfs/dbraw/zinc/84/30/77/191843077.db2.gz WZUUAIQXGZDSAV-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@H]([NH3+])C1 ZINC000236638098 363454758 /nfs/dbraw/zinc/45/47/58/363454758.db2.gz PKMVEZHQVGEVGG-VIFPVBQESA-N 2 0 213.325 0.311 20 0 BCADRP NC(=O)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000043497612 181216717 /nfs/dbraw/zinc/21/67/17/181216717.db2.gz QLIOYLSJJRJFOQ-UHFFFAOYSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371018494 355877489 /nfs/dbraw/zinc/87/74/89/355877489.db2.gz NKAVIPBFBBBJAX-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336031845 134058909 /nfs/dbraw/zinc/05/89/09/134058909.db2.gz YFNVDXFOZBYBHK-DGCLKSJQSA-N 2 0 237.347 0.341 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC[N@H+](C)C1CC1 ZINC000417632818 191909865 /nfs/dbraw/zinc/90/98/65/191909865.db2.gz XIWYZYKOGBENLU-BDAKNGLRSA-N 2 0 228.340 0.116 20 0 BCADRP FC(F)[C@@H]1C[NH2+]CCN1C[C@@H]1CCC[NH2+]C1 ZINC000583630699 355940751 /nfs/dbraw/zinc/94/07/51/355940751.db2.gz PBDARNWFSPXIAJ-ZJUUUORDSA-N 2 0 233.306 0.525 20 0 BCADRP CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000336040983 134062051 /nfs/dbraw/zinc/06/20/51/134062051.db2.gz OTVGCBVTDCOQQN-QWHCGFSZSA-N 2 0 225.380 0.964 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1([NH3+])CC1 ZINC000167321949 355991467 /nfs/dbraw/zinc/99/14/67/355991467.db2.gz CBBGEVOFXZLBPX-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCC[NH3+])C1 ZINC000417818735 191930430 /nfs/dbraw/zinc/93/04/30/191930430.db2.gz BHRKDEINYHYEQF-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP CN(CC[NH3+])C(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000417825621 191931120 /nfs/dbraw/zinc/93/11/20/191931120.db2.gz BHQZHRKFXKCSOU-AWEZNQCLSA-N 2 0 247.342 0.335 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000417807364 191931673 /nfs/dbraw/zinc/93/16/73/191931673.db2.gz CVCPSQOVRMFYKR-SKDRFNHKSA-N 2 0 225.336 0.182 20 0 BCADRP CCn1c(C)nnc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351480232 355995839 /nfs/dbraw/zinc/99/58/39/355995839.db2.gz UVXFOPNEAGBZSP-TUAOUCFPSA-N 2 0 249.362 0.776 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000417843607 191934708 /nfs/dbraw/zinc/93/47/08/191934708.db2.gz QOGGTKHTKWNIGM-MXWKQRLJSA-N 2 0 241.379 0.851 20 0 BCADRP C[NH2+]CCNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000417850177 191937594 /nfs/dbraw/zinc/93/75/94/191937594.db2.gz MDGFOECJMLIBKP-MNOVXSKESA-N 2 0 242.367 0.378 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000583640978 355947038 /nfs/dbraw/zinc/94/70/38/355947038.db2.gz AIWMRGFVJHFQJW-GWOFURMSSA-N 2 0 214.309 0.260 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000336059650 134067513 /nfs/dbraw/zinc/06/75/13/134067513.db2.gz XAPFYMJUNYQTOA-ZDUSSCGKSA-N 2 0 245.326 0.853 20 0 BCADRP C[C@H](C[NH3+])NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000584350228 356062412 /nfs/dbraw/zinc/06/24/12/356062412.db2.gz YGEITAZJDPHBIC-PWSUYJOCSA-N 2 0 235.331 0.930 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000335911682 356126465 /nfs/dbraw/zinc/12/64/65/356126465.db2.gz ZRNHNDKFZBFRSN-STQMWFEESA-N 3 0 223.364 0.670 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000584352294 356093225 /nfs/dbraw/zinc/09/32/25/356093225.db2.gz LAGKJCJKYFVSGU-MDZLAQPJSA-N 2 0 249.358 0.798 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H](C)[NH+](C)C ZINC000418254912 192005437 /nfs/dbraw/zinc/00/54/37/192005437.db2.gz LDVCVLCCQPHHAM-QWRGUYRKSA-N 2 0 242.367 0.330 20 0 BCADRP C[C@@H](CNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C)[NH+](C)C ZINC000418248980 192006836 /nfs/dbraw/zinc/00/68/36/192006836.db2.gz FWDXHKAQXBUNSA-GARJFASQSA-N 2 0 242.367 0.328 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)NCC1([NH3+])CCCCC1 ZINC000418296577 192019867 /nfs/dbraw/zinc/01/98/67/192019867.db2.gz LXPNOBBUGJPXHR-UWVGGRQHSA-N 2 0 242.367 0.683 20 0 BCADRP C[C@@H](NC(=O)NCC1([NH3+])CCCCC1)[C@H](C)[NH3+] ZINC000418296578 192020216 /nfs/dbraw/zinc/02/02/16/192020216.db2.gz LXPNOBBUGJPXHR-VHSXEESVSA-N 2 0 242.367 0.683 20 0 BCADRP [NH3+]CCNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418297230 192020265 /nfs/dbraw/zinc/02/02/65/192020265.db2.gz NIPGSMFEKHDTHW-GFCCVEGCSA-N 2 0 248.330 0.131 20 0 BCADRP CCCN(C(=O)NCCC[NH2+]C)[C@H]1CC[NH2+]C1 ZINC000418305628 192021057 /nfs/dbraw/zinc/02/10/57/192021057.db2.gz IDFKJCFOXDPLMF-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP CCCN(CCC[NH+](C)C)C(=O)NCC[NH3+] ZINC000418310956 192021730 /nfs/dbraw/zinc/02/17/30/192021730.db2.gz ZOKPLNVKVUTXEN-UHFFFAOYSA-N 2 0 230.356 0.318 20 0 BCADRP CC[NH2+]CCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418313072 192021823 /nfs/dbraw/zinc/02/18/23/192021823.db2.gz AZIFVEUJIUPISX-NSHDSACASA-N 2 0 242.367 0.285 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418312766 192022091 /nfs/dbraw/zinc/02/20/91/192022091.db2.gz HNJBSSDGUJBODX-GHMZBOCLSA-N 2 0 242.367 0.269 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)NCCC[NH3+] ZINC000418312442 192022192 /nfs/dbraw/zinc/02/21/92/192022192.db2.gz OMBXIPGEXZXPHR-JTQLQIEISA-N 2 0 242.367 0.413 20 0 BCADRP C[NH2+]CCNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000418313547 192022735 /nfs/dbraw/zinc/02/27/35/192022735.db2.gz CGXIVYVKYVSRAW-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP CC[NH2+]CCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000418314710 192022774 /nfs/dbraw/zinc/02/27/74/192022774.db2.gz FUCQHXHEGYINRR-JTQLQIEISA-N 2 0 228.340 0.119 20 0 BCADRP CC[NH2+]CCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000418314711 192023168 /nfs/dbraw/zinc/02/31/68/192023168.db2.gz FUCQHXHEGYINRR-SNVBAGLBSA-N 2 0 228.340 0.119 20 0 BCADRP CC[NH2+]CCNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418320014 192024071 /nfs/dbraw/zinc/02/40/71/192024071.db2.gz SAJKOHRYYTWYSG-MNOVXSKESA-N 2 0 242.367 0.413 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000336103575 134084278 /nfs/dbraw/zinc/08/42/78/134084278.db2.gz KQTYALODUYBDFA-MNOVXSKESA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H]1CN(C(=O)NCCC[NH2+]C2CC2)CC[NH2+]1 ZINC000418291704 192016736 /nfs/dbraw/zinc/01/67/36/192016736.db2.gz WQZXRTSSCZVFGP-JTQLQIEISA-N 2 0 240.351 0.132 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCCC[NH2+]C1CC1 ZINC000418291129 192016850 /nfs/dbraw/zinc/01/68/50/192016850.db2.gz UYPRTOQQWQIAHS-SECBINFHSA-N 2 0 228.340 0.165 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)NCCC[NH2+]C1CC1 ZINC000418291448 192016961 /nfs/dbraw/zinc/01/69/61/192016961.db2.gz VWQKJWXQQBXDFC-LLVKDONJSA-N 2 0 240.351 0.261 20 0 BCADRP CC[N@H+](CCN1CC[NH2+]CC1)C1CCC1 ZINC000420300318 192207443 /nfs/dbraw/zinc/20/74/43/192207443.db2.gz JZESKPAORFLYRU-UHFFFAOYSA-N 2 0 211.353 0.766 20 0 BCADRP CC[N@H+](CCCO)CC[C@H]1CC[NH2+]C1 ZINC000420302543 192206855 /nfs/dbraw/zinc/20/68/55/192206855.db2.gz MOAUJVOOIXINDG-LLVKDONJSA-N 2 0 200.326 0.690 20 0 BCADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCCF ZINC000420319084 192195232 /nfs/dbraw/zinc/19/52/32/192195232.db2.gz XBFPUCRTKUIZKU-LLVKDONJSA-N 2 0 245.342 0.666 20 0 BCADRP CC[C@H](C(N)=O)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420320691 192195966 /nfs/dbraw/zinc/19/59/66/192195966.db2.gz UMIDFQKTANSIGI-VXGBXAGGSA-N 2 0 239.363 0.572 20 0 BCADRP C(CN1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000420282054 192199395 /nfs/dbraw/zinc/19/93/95/192199395.db2.gz AKZNFBPSWBBTLH-XQQFMLRXSA-N 2 0 223.364 0.812 20 0 BCADRP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000617752642 356311626 /nfs/dbraw/zinc/31/16/26/356311626.db2.gz RGLIXDKYQPWZAH-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP CCOC(=O)c1cnccc1N(C)CC[NH3+] ZINC000420291165 192201890 /nfs/dbraw/zinc/20/18/90/192201890.db2.gz WSYNSAKZQHEROL-UHFFFAOYSA-N 2 0 223.276 0.653 20 0 BCADRP C[C@@H]1C[NH+](CC[C@@H]2CC[NH2+]C2)C[C@@H](C)N1 ZINC000420301342 192207152 /nfs/dbraw/zinc/20/71/52/192207152.db2.gz VNRJGQRGFXGZLQ-UTUOFQBUSA-N 2 0 211.353 0.668 20 0 BCADRP CCOC(=O)CCN1CCCC[C@@H]1C[NH3+] ZINC000420289972 192202228 /nfs/dbraw/zinc/20/22/28/192202228.db2.gz IRMNJUXPIHNVHU-SNVBAGLBSA-N 2 0 214.309 0.753 20 0 BCADRP OCC[C@H]1CSCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420301270 192207213 /nfs/dbraw/zinc/20/72/13/192207213.db2.gz LFZAHWUNCWKNGW-RYUDHWBXSA-N 2 0 244.404 0.786 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420303128 192207292 /nfs/dbraw/zinc/20/72/92/192207292.db2.gz HCVVTUOMCYUUJS-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP NC[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420292668 192203256 /nfs/dbraw/zinc/20/32/56/192203256.db2.gz PUQANGORTNXRLO-VXGBXAGGSA-N 2 0 211.353 0.799 20 0 BCADRP COC(=O)CC1(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000420318413 192213935 /nfs/dbraw/zinc/21/39/35/192213935.db2.gz OALOFQIJEYQSDE-MNOVXSKESA-N 2 0 240.347 0.999 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)[C@@H](C)CN1 ZINC000420332792 192214242 /nfs/dbraw/zinc/21/42/42/192214242.db2.gz BZAXWAKKLXTNRQ-GRYCIOLGSA-N 2 0 211.353 0.668 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420337367 192214714 /nfs/dbraw/zinc/21/47/14/192214714.db2.gz WUAOEDCKQNFIIO-STQMWFEESA-N 3 0 225.380 0.917 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000336135524 134095895 /nfs/dbraw/zinc/09/58/95/134095895.db2.gz IOFKBFZFHCWVIJ-WDEREUQCSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H]1CCN(CCOCC[NH3+])[C@@H](C[NH3+])C1 ZINC000420344723 192216771 /nfs/dbraw/zinc/21/67/71/192216771.db2.gz UJMONSZXPOQMNJ-WDEREUQCSA-N 2 0 215.341 0.021 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C1([NH3+])CC1 ZINC000336426026 356368179 /nfs/dbraw/zinc/36/81/79/356368179.db2.gz OGYKQVOEMZNVGA-VIFPVBQESA-N 2 0 225.336 0.372 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000336359996 356347697 /nfs/dbraw/zinc/34/76/97/356347697.db2.gz WTQRADYMKDPXDG-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP CCOC(=O)CC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000420303935 192207706 /nfs/dbraw/zinc/20/77/06/192207706.db2.gz XPXZTSZDPPIPHN-SNVBAGLBSA-N 2 0 228.336 0.999 20 0 BCADRP CC(C)[C@@H]1C(=O)NCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420307586 192209192 /nfs/dbraw/zinc/20/91/92/192209192.db2.gz RLSDGOVOUSEVFN-VXGBXAGGSA-N 2 0 239.363 0.442 20 0 BCADRP CCCC[N@H+](CCOC)CCN1CC[NH2+]CC1 ZINC000420307576 192209415 /nfs/dbraw/zinc/20/94/15/192209415.db2.gz RLMWVYZXVQVNCT-UHFFFAOYSA-N 2 0 243.395 0.640 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420311170 192211484 /nfs/dbraw/zinc/21/14/84/192211484.db2.gz GYSGYLZOWXPNRR-MNOVXSKESA-N 2 0 226.320 0.481 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000420308256 192211602 /nfs/dbraw/zinc/21/16/02/192211602.db2.gz NICXSCPGXLKEEX-LBPRGKRZSA-N 2 0 226.320 0.625 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420313490 192212111 /nfs/dbraw/zinc/21/21/11/192212111.db2.gz UCPFVKWWCYYLOG-WDEREUQCSA-N 2 0 228.336 0.997 20 0 BCADRP COC(=O)[C@H](C)C[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420367398 192226111 /nfs/dbraw/zinc/22/61/11/192226111.db2.gz VRFIRTJHBBFRMM-MNOVXSKESA-N 2 0 228.336 0.727 20 0 BCADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H](CN)C1CC1 ZINC000420322694 192226946 /nfs/dbraw/zinc/22/69/46/192226946.db2.gz XBPWAWZHYDSYCD-CMPLNLGQSA-N 2 0 211.353 0.655 20 0 BCADRP C(CN(C1CC1)[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000420322636 192226974 /nfs/dbraw/zinc/22/69/74/192226974.db2.gz STARAMANOPKDKD-DGCLKSJQSA-N 2 0 223.364 0.812 20 0 BCADRP COC(=O)CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420322633 192227996 /nfs/dbraw/zinc/22/79/96/192227996.db2.gz WXUBKNBKVSOZQD-LBPRGKRZSA-N 2 0 240.347 0.871 20 0 BCADRP COC(=O)CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420328447 192228981 /nfs/dbraw/zinc/22/89/81/192228981.db2.gz MNHRDHZHCVZLLC-RYUDHWBXSA-N 2 0 240.347 0.871 20 0 BCADRP COC(=O)[C@@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420357030 192220719 /nfs/dbraw/zinc/22/07/19/192220719.db2.gz HJYSHGKAHPDBIQ-QWRGUYRKSA-N 2 0 226.320 0.623 20 0 BCADRP CCC[C@@H]1CN(C[C@@H](C)[NH3+])CC[N@@H+]1CCOC ZINC000420363683 192223436 /nfs/dbraw/zinc/22/34/36/192223436.db2.gz BVXSHFRWYJGIEU-CHWSQXEVSA-N 2 0 243.395 0.766 20 0 BCADRP C[NH2+]CCC[NH+]1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000420367364 192225678 /nfs/dbraw/zinc/22/56/78/192225678.db2.gz VOHVMWNRVPCHSI-NSHDSACASA-N 2 0 240.347 0.871 20 0 BCADRP CCCCNC(=O)CC[N@H+](C)CCC[NH2+]C ZINC000420393998 192237619 /nfs/dbraw/zinc/23/76/19/192237619.db2.gz ZJAPINGNEUTSCY-UHFFFAOYSA-N 2 0 229.368 0.834 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000420374881 192231376 /nfs/dbraw/zinc/23/13/76/192231376.db2.gz OCGUMXOCLZWUFM-GRYCIOLGSA-N 3 0 211.353 0.655 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420379988 192233869 /nfs/dbraw/zinc/23/38/69/192233869.db2.gz BYDVGSCPTJIJLJ-QWHCGFSZSA-N 3 0 241.379 0.426 20 0 BCADRP CC[C@H]1C[N@H+](CCc2cncn2C)C[C@H]1O ZINC000639554572 356456333 /nfs/dbraw/zinc/45/63/33/356456333.db2.gz LIWKAELTFPHAHU-CMPLNLGQSA-N 2 0 223.320 0.665 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC(C)C ZINC000019511327 356484010 /nfs/dbraw/zinc/48/40/10/356484010.db2.gz KLHMAELHTCGRPJ-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000381339072 356491101 /nfs/dbraw/zinc/49/11/01/356491101.db2.gz WXGYTVHGTISKSD-AEJSXWLSSA-N 2 0 213.325 0.165 20 0 BCADRP CC[C@H](N[C@H]1CC[N@H+](CC)C[C@@H]1C)C(=O)NC ZINC000449780776 202034843 /nfs/dbraw/zinc/03/48/43/202034843.db2.gz VOZHCVBSFJVVSS-SRVKXCTJSA-N 2 0 241.379 0.831 20 0 BCADRP CC(=O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000639655092 356559527 /nfs/dbraw/zinc/55/95/27/356559527.db2.gz IPXFVEFHSPJYKY-GFCCVEGCSA-N 2 0 210.321 0.993 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CC[C@H]1[NH3+] ZINC000578132910 366295426 /nfs/dbraw/zinc/29/54/26/366295426.db2.gz FSASBSPULWJEGN-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627205542 363501588 /nfs/dbraw/zinc/50/15/88/363501588.db2.gz BSQFOAJWTRVCRS-GARJFASQSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](C[NH3+])C2)C[NH2+]1 ZINC000627205689 363501915 /nfs/dbraw/zinc/50/19/15/363501915.db2.gz CRDIPIUZRYSWEJ-GMTAPVOTSA-N 2 0 240.351 0.117 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000627205545 363501981 /nfs/dbraw/zinc/50/19/81/363501981.db2.gz BSQFOAJWTRVCRS-OUAUKWLOSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)N(C)CCC[NH3+])C[NH2+]1 ZINC000627206227 363501990 /nfs/dbraw/zinc/50/19/90/363501990.db2.gz IFHIFABPFSPVCE-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627208552 363504225 /nfs/dbraw/zinc/50/42/25/363504225.db2.gz AOLUSOMKDIDCNX-NAKRPEOUSA-N 2 0 240.351 0.258 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627210479 363506488 /nfs/dbraw/zinc/50/64/88/363506488.db2.gz QNDZMQGITXLGLZ-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H](O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684164 356600890 /nfs/dbraw/zinc/60/08/90/356600890.db2.gz SJHVFHWKROMYBI-GFCCVEGCSA-N 2 0 235.331 0.975 20 0 BCADRP CC[C@@H]1C[N@H+](CCCC(=O)OC)CC[C@@H]1[NH3+] ZINC000122746972 363544132 /nfs/dbraw/zinc/54/41/32/363544132.db2.gz XFVUEFFJHRIPDN-MNOVXSKESA-N 2 0 228.336 0.999 20 0 BCADRP COCC[NH+]1CCN(CCC[NH2+]C2CC2)CC1 ZINC000675056501 538478845 /nfs/dbraw/zinc/47/88/45/538478845.db2.gz RPBZJWHRJGTKRA-UHFFFAOYSA-N 2 0 241.379 0.393 20 0 BCADRP C[NH+]1CCC2(CC[N@H+](CCn3cncn3)C2)CC1 ZINC000639755092 356658344 /nfs/dbraw/zinc/65/83/44/356658344.db2.gz FFCDIMGEJGLWMF-UHFFFAOYSA-N 2 0 249.362 0.696 20 0 BCADRP CNC(=O)CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760140 356675360 /nfs/dbraw/zinc/67/53/60/356675360.db2.gz RIABEWXFNBRPAQ-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000582248206 356679119 /nfs/dbraw/zinc/67/91/19/356679119.db2.gz OYOJCKPYTWWGAL-WDEREUQCSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H](O)CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764023 356690332 /nfs/dbraw/zinc/69/03/32/356690332.db2.gz SEDUNWUFCVMQAY-VXGBXAGGSA-N 2 0 230.352 0.146 20 0 BCADRP [NH3+][C@H](C(=O)N1CCC[NH2+]CC1)c1ccccc1 ZINC000035738361 356705905 /nfs/dbraw/zinc/70/59/05/356705905.db2.gz HZYVXKSTYNSICJ-LBPRGKRZSA-N 2 0 233.315 0.508 20 0 BCADRP C[C@@H]1CC[C@@H]([NH2+]CCN2CC[C@@H](O)C2)C1 ZINC000623759007 356821431 /nfs/dbraw/zinc/82/14/31/356821431.db2.gz WLHFDNKVLFMRQZ-IJLUTSLNSA-N 2 0 212.337 0.831 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423184513 192613411 /nfs/dbraw/zinc/61/34/11/192613411.db2.gz UCUQIEKOHMNPFG-NWDGAFQWSA-N 2 0 229.368 0.295 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[N@H+](CC)CC1 ZINC000369172555 356983197 /nfs/dbraw/zinc/98/31/97/356983197.db2.gz WRXCQONWQAGNCU-UHFFFAOYSA-N 2 0 241.379 0.882 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000582301937 357040170 /nfs/dbraw/zinc/04/01/70/357040170.db2.gz IKAYVSHZALVLEX-AEJSXWLSSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000582302355 357040350 /nfs/dbraw/zinc/04/03/50/357040350.db2.gz QQYRSARCSQJMGI-LPEHRKFASA-N 2 0 227.352 0.556 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC2(CCC2)C1 ZINC000582306425 357043668 /nfs/dbraw/zinc/04/36/68/357043668.db2.gz OQCZNWOLYYQZKZ-LLVKDONJSA-N 2 0 212.337 0.833 20 0 BCADRP CN1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1=O ZINC000623393653 357002996 /nfs/dbraw/zinc/00/29/96/357002996.db2.gz MXQYWATUXDOYSM-GHMZBOCLSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)[NH2+]CCN1CCO[C@H](C[NH+](C)C)C1 ZINC000193439932 357072991 /nfs/dbraw/zinc/07/29/91/357072991.db2.gz AAAHTLATGGUOGM-GFCCVEGCSA-N 2 0 229.368 0.247 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000390406369 357097687 /nfs/dbraw/zinc/09/76/87/357097687.db2.gz BNMYPXDTMWHSKE-IVZWLZJFSA-N 2 0 213.325 0.357 20 0 BCADRP COC(=O)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000023508829 357141526 /nfs/dbraw/zinc/14/15/26/357141526.db2.gz VQYJQTQQBWSNTH-UHFFFAOYSA-N 2 0 240.347 0.871 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N(C)C1CC[NH2+]CC1 ZINC000582419179 357143071 /nfs/dbraw/zinc/14/30/71/357143071.db2.gz OMDMTRXMRPHIDS-ZJUUUORDSA-N 2 0 242.367 0.506 20 0 BCADRP Cc1n[nH]c(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000392383411 357150702 /nfs/dbraw/zinc/15/07/02/357150702.db2.gz HCUPISVDBBGHCA-KOLCDFICSA-N 2 0 237.351 0.585 20 0 BCADRP CS(=O)(=O)C1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000393685975 357292564 /nfs/dbraw/zinc/29/25/64/357292564.db2.gz QCMGUIHPGMVEDQ-ZJUUUORDSA-N 2 0 246.376 0.423 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)CCC[NH3+])CC1 ZINC000393811040 357301215 /nfs/dbraw/zinc/30/12/15/357301215.db2.gz VPHQREGYQXHDFL-VIFPVBQESA-N 2 0 213.325 0.311 20 0 BCADRP C[C@@]1(C(=O)NCC[N@H+]2CC=CCC2)CC[NH2+]C1 ZINC000392847893 357245508 /nfs/dbraw/zinc/24/55/08/357245508.db2.gz ZFPJRGLOSMZKHN-CYBMUJFWSA-N 2 0 237.347 0.364 20 0 BCADRP C[C@@H](C(=O)NC(C)(C)CCC[NH3+])[C@H](C)[NH3+] ZINC000393917993 357307189 /nfs/dbraw/zinc/30/71/89/357307189.db2.gz NPOPORBACMZZDM-BDAKNGLRSA-N 2 0 215.341 0.603 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217362452 357260312 /nfs/dbraw/zinc/26/03/12/357260312.db2.gz JHOFEGXERBREBJ-ZJUUUORDSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)NCCN1CC=CCC1 ZINC000392882623 357261191 /nfs/dbraw/zinc/26/11/91/357261191.db2.gz OHPBHJMKCUNBSI-SECBINFHSA-N 2 0 247.289 0.347 20 0 BCADRP CN(CC[NH3+])C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000582486317 357318479 /nfs/dbraw/zinc/31/84/79/357318479.db2.gz GUQSUPBCTUZZOW-LLVKDONJSA-N 2 0 221.304 0.146 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)CC[NH2+]C1CC1 ZINC000582556335 357343504 /nfs/dbraw/zinc/34/35/04/357343504.db2.gz KRSMODOPCDPWAQ-UHFFFAOYSA-N 2 0 227.352 0.633 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000582903599 357427271 /nfs/dbraw/zinc/42/72/71/357427271.db2.gz ATPXMFZHMZLTJH-GXFFZTMASA-N 2 0 247.342 0.727 20 0 BCADRP [NH3+]C[C@H]1CCC[N@H+](CCCN2CCOCC2)C1 ZINC000582907481 357433141 /nfs/dbraw/zinc/43/31/41/357433141.db2.gz IIGWPSCXTYTQHL-CYBMUJFWSA-N 2 0 241.379 0.379 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000582975718 357450260 /nfs/dbraw/zinc/45/02/60/357450260.db2.gz PSAQEMZADNTXCL-ONGXEEELSA-N 2 0 245.392 0.148 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000583024252 357452359 /nfs/dbraw/zinc/45/23/59/357452359.db2.gz ROBLEYROIKGUNM-KOLCDFICSA-N 2 0 239.363 0.631 20 0 BCADRP [NH3+]Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)ccn1 ZINC000583079024 357473794 /nfs/dbraw/zinc/47/37/94/357473794.db2.gz ACEMQLJCGCTNBV-SNVBAGLBSA-N 2 0 248.330 0.270 20 0 BCADRP CC(=O)NCC[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000396746359 357482436 /nfs/dbraw/zinc/48/24/36/357482436.db2.gz ZAOYOOWRINSUMZ-NSHDSACASA-N 2 0 213.325 0.054 20 0 BCADRP COCC1(C[NH2+][C@@H]2CCCNC2)CC[NH2+]CC1 ZINC000583143550 357493708 /nfs/dbraw/zinc/49/37/08/357493708.db2.gz PPUCMHAUWAQFAS-GFCCVEGCSA-N 2 0 241.379 0.344 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188689048 357571297 /nfs/dbraw/zinc/57/12/97/357571297.db2.gz NVFYAFDJJLFKGX-WDEREUQCSA-N 2 0 245.342 0.535 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000230711928 357573445 /nfs/dbraw/zinc/57/34/45/357573445.db2.gz GQQFEQUPAIURPJ-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H]([NH3+])C(C)C ZINC000230711356 357573624 /nfs/dbraw/zinc/57/36/24/357573624.db2.gz IJFFYDQSNJKLFT-LLVKDONJSA-N 2 0 229.368 0.770 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H]1CC[NH2+]C1 ZINC000230711861 357573668 /nfs/dbraw/zinc/57/36/68/357573668.db2.gz FWRIBRRBEDYZEW-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000230711937 357573798 /nfs/dbraw/zinc/57/37/98/357573798.db2.gz GQQFEQUPAIURPJ-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP C[NH+](C)C1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000082771915 491112482 /nfs/dbraw/zinc/11/24/82/491112482.db2.gz FZGDWQLIFOLZDD-UHFFFAOYSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000188395789 357529703 /nfs/dbraw/zinc/52/97/03/357529703.db2.gz ZFPSPGQJYVKKRB-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000188452997 357554630 /nfs/dbraw/zinc/55/46/30/357554630.db2.gz DESBPHOSRAHWLM-SNVBAGLBSA-N 2 0 233.315 0.579 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000189013097 357600480 /nfs/dbraw/zinc/60/04/80/357600480.db2.gz NEESTKJRWVTVKA-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH+](C)CCOCC[NH2+]C[C@@H]1CCCOC1 ZINC000231676245 357619534 /nfs/dbraw/zinc/61/95/34/357619534.db2.gz KCJONKWLFOXBBN-LBPRGKRZSA-N 2 0 230.352 0.581 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CC[N@H+](C)C[C@@H]1C ZINC000232620981 357669583 /nfs/dbraw/zinc/66/95/83/357669583.db2.gz LAJDIELQEJRPFV-RYUDHWBXSA-N 2 0 213.369 0.996 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000392883766 357700389 /nfs/dbraw/zinc/70/03/89/357700389.db2.gz PGKHSXYAAOSGEB-CYBMUJFWSA-N 2 0 239.363 0.882 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCOCC[NH+](C)C ZINC000233969402 357764174 /nfs/dbraw/zinc/76/41/74/357764174.db2.gz GWMBNQDZEWDBRF-GHMZBOCLSA-N 2 0 245.367 0.054 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000234255583 357788407 /nfs/dbraw/zinc/78/84/07/357788407.db2.gz RWVVSKHXKFPEFW-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000192471699 357836097 /nfs/dbraw/zinc/83/60/97/357836097.db2.gz DJJWMVKAPKKQIM-STQMWFEESA-N 2 0 244.379 0.969 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C2CCC2)CC[N@@H+]1C ZINC000399068244 357894971 /nfs/dbraw/zinc/89/49/71/357894971.db2.gz MZBKUDXFLSFRLO-USWWRNFRSA-N 2 0 239.363 0.713 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000399082184 357896194 /nfs/dbraw/zinc/89/61/94/357896194.db2.gz SJTNNHGZFJYXED-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])C2CCC2)CC[N@@H+]1C ZINC000399068230 357894485 /nfs/dbraw/zinc/89/44/85/357894485.db2.gz MZBKUDXFLSFRLO-ADEWGFFLSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000192985084 357863423 /nfs/dbraw/zinc/86/34/23/357863423.db2.gz YGRFFFNXUVEJEC-NWDGAFQWSA-N 2 0 212.337 0.785 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NCCCC[NH+](C)C)CC[NH2+]1 ZINC000235634152 357926146 /nfs/dbraw/zinc/92/61/46/357926146.db2.gz HXBSCFPHYUMYCM-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000583320720 357902214 /nfs/dbraw/zinc/90/22/14/357902214.db2.gz KCNDIFSNSWFFOI-UHFFFAOYSA-N 2 0 244.298 0.898 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000583320649 357902381 /nfs/dbraw/zinc/90/23/81/357902381.db2.gz GOLJYRUXFMTFFM-IVZWLZJFSA-N 2 0 228.340 0.245 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000583321201 357902948 /nfs/dbraw/zinc/90/29/48/357902948.db2.gz QXVOJGPFFKZRFT-SNVBAGLBSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]([NH3+])CN1CCOCC2(CCOCC2)C1 ZINC000583813093 357959983 /nfs/dbraw/zinc/95/99/83/357959983.db2.gz TYFUMGFCOWEALT-NSHDSACASA-N 2 0 228.336 0.463 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000583747613 357933530 /nfs/dbraw/zinc/93/35/30/357933530.db2.gz NFBOFOFLINLVHG-GARJFASQSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCCC[NH2+]C(C)C ZINC000583822595 357957926 /nfs/dbraw/zinc/95/79/26/357957926.db2.gz QRVVMCHVKAXTHS-VIFPVBQESA-N 2 0 201.314 0.099 20 0 BCADRP C[C@@H]([NH3+])CN1CCOCC2(CCOCC2)C1 ZINC000583813092 357959839 /nfs/dbraw/zinc/95/98/39/357959839.db2.gz TYFUMGFCOWEALT-LLVKDONJSA-N 2 0 228.336 0.463 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000085975716 358000942 /nfs/dbraw/zinc/00/09/42/358000942.db2.gz WBIBOJLNCHCNTP-AXFHLTTASA-N 2 0 225.336 0.276 20 0 BCADRP [NH3+][C@@H]1CCc2ncc(NC(=O)C3([NH3+])CC3)cc2C1 ZINC000584524440 358038994 /nfs/dbraw/zinc/03/89/94/358038994.db2.gz FBXSLZYFHUEYHB-SECBINFHSA-N 2 0 246.314 0.327 20 0 BCADRP C[NH2+]CCCN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000584530511 358042352 /nfs/dbraw/zinc/04/23/52/358042352.db2.gz VGTXYKHGHFRNFA-LBPRGKRZSA-N 2 0 241.379 0.283 20 0 BCADRP O=C(C[NH2+]C1CC1)NCCC[NH+]1CCCC1 ZINC000037476927 358071396 /nfs/dbraw/zinc/07/13/96/358071396.db2.gz FFPHJTABPSKGMO-UHFFFAOYSA-N 2 0 225.336 0.341 20 0 BCADRP C[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000169809558 134251837 /nfs/dbraw/zinc/25/18/37/134251837.db2.gz VZBHQOXIFJDRTB-GFCCVEGCSA-N 2 0 233.315 0.379 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000169809167 134251852 /nfs/dbraw/zinc/25/18/52/134251852.db2.gz FECISGQEKDKAGU-JQWIXIFHSA-N 2 0 233.315 0.507 20 0 BCADRP O=C(C[NH2+]C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000037396094 358079701 /nfs/dbraw/zinc/07/97/01/358079701.db2.gz JIEBUNGPGPJVCM-UHFFFAOYSA-N 2 0 237.347 0.481 20 0 BCADRP O=C(C[NH2+]C1CC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000037609490 358083531 /nfs/dbraw/zinc/08/35/31/358083531.db2.gz WODMKDYOSDZPBF-NEPJUHHUSA-N 2 0 237.347 0.481 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000584598444 358112370 /nfs/dbraw/zinc/11/23/70/358112370.db2.gz ISBKWLXINAYNDT-STQMWFEESA-N 2 0 240.395 0.093 20 0 BCADRP NC(=O)c1ccc(CN2CCC[C@@H]([NH3+])C2)cc1 ZINC000041029236 181295133 /nfs/dbraw/zinc/29/51/33/181295133.db2.gz NSNMCTKMRYJEGR-GFCCVEGCSA-N 2 0 233.315 0.709 20 0 BCADRP C[C@H]1C[C@H](N[C@H]2CCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000423304177 192692832 /nfs/dbraw/zinc/69/28/32/192692832.db2.gz NKGPZKOINXECST-SRVKXCTJSA-N 2 0 223.364 0.953 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000086271806 491123760 /nfs/dbraw/zinc/12/37/60/491123760.db2.gz GBIFPLHHKPLNHI-AGVGLQIMSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000584720755 358162087 /nfs/dbraw/zinc/16/20/87/358162087.db2.gz RHJSGVXMQBDTKU-WCQGTBRESA-N 2 0 237.347 0.337 20 0 BCADRP CC(C)(C)[NH2+]CCN1CC[NH2+]C[C@@H]1C(F)F ZINC000584782896 358176609 /nfs/dbraw/zinc/17/66/09/358176609.db2.gz WEIPQRSOFNQMFI-SECBINFHSA-N 2 0 235.322 0.913 20 0 BCADRP C[NH+](C)Cc1ccccc1C(=O)NCCC[NH3+] ZINC000584781756 358177182 /nfs/dbraw/zinc/17/71/82/358177182.db2.gz POVBRWHRCZCEFZ-UHFFFAOYSA-N 2 0 235.331 0.827 20 0 BCADRP CN1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCC1=O ZINC000223026777 358213982 /nfs/dbraw/zinc/21/39/82/358213982.db2.gz CDUGVOHVQVACLC-GMTAPVOTSA-N 2 0 225.336 0.467 20 0 BCADRP CN1CCN(C[C@@H]2CCSC2)[C@@H](C[NH3+])C1 ZINC000224620311 358235954 /nfs/dbraw/zinc/23/59/54/358235954.db2.gz XUUSDPJCDAETBT-QWRGUYRKSA-N 2 0 229.393 0.314 20 0 BCADRP [NH3+]CCCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000041043482 358241610 /nfs/dbraw/zinc/24/16/10/358241610.db2.gz CTTQVZQZQNGXKS-LLVKDONJSA-N 2 0 221.304 0.542 20 0 BCADRP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000224973006 358242799 /nfs/dbraw/zinc/24/27/99/358242799.db2.gz RPMDZAIXHXCYIB-NWDGAFQWSA-N 2 0 227.352 0.001 20 0 BCADRP [NH3+]Cc1ccc(CN[C@@H]2CC[NH2+]C2)cc1 ZINC000224981690 358243708 /nfs/dbraw/zinc/24/37/08/358243708.db2.gz CLAKPVPDKGRDNB-GFCCVEGCSA-N 2 0 205.305 0.597 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C[NH2+]C1CC1 ZINC000041680307 358333506 /nfs/dbraw/zinc/33/35/06/358333506.db2.gz MRHXGESDNFKWKA-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC000228499100 358375246 /nfs/dbraw/zinc/37/52/46/358375246.db2.gz HDMUYEVHJHWYNQ-UHFFFAOYSA-N 2 0 247.342 0.494 20 0 BCADRP COC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000227638827 358361476 /nfs/dbraw/zinc/36/14/76/358361476.db2.gz UGFGMDUNAQNLSK-PSEXLTFBSA-N 2 0 242.363 0.599 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000228621093 358383010 /nfs/dbraw/zinc/38/30/10/358383010.db2.gz IRHILZFQYKHCQM-VWYCJHECSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH+]1CCC(CNC(=O)[C@@H](C)[NH3+])CC1 ZINC000044526707 358390167 /nfs/dbraw/zinc/39/01/67/358390167.db2.gz CJARJAWVLBUYDR-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000044538999 358391050 /nfs/dbraw/zinc/39/10/50/358391050.db2.gz CLNWRKSPKQQHNO-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP COCCOCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000044725575 358392160 /nfs/dbraw/zinc/39/21/60/358392160.db2.gz QDUZDNVTXACRNN-GHMZBOCLSA-N 2 0 216.325 0.461 20 0 BCADRP COCCOCC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000044725577 358392252 /nfs/dbraw/zinc/39/22/52/358392252.db2.gz QDUZDNVTXACRNN-MNOVXSKESA-N 2 0 216.325 0.461 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCSCCCO)C1 ZINC000230784306 358410883 /nfs/dbraw/zinc/41/08/83/358410883.db2.gz OLEXZZKNSGABOU-QWRGUYRKSA-N 2 0 232.393 0.962 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000230191532 358395700 /nfs/dbraw/zinc/39/57/00/358395700.db2.gz APCDGISACBPSON-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(N)=O ZINC000230382132 358397818 /nfs/dbraw/zinc/39/78/18/358397818.db2.gz OZDGVPANFKEEGR-RKDXNWHRSA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC000229357904 358402650 /nfs/dbraw/zinc/40/26/50/358402650.db2.gz CZAAUHZRNBKFRF-QWRGUYRKSA-N 2 0 225.336 0.372 20 0 BCADRP CN1CCN(C(=O)C[N@H+](C)C2CCCC2)CC1 ZINC000180419271 366450667 /nfs/dbraw/zinc/45/06/67/366450667.db2.gz GZXUYCWZCQSKBR-UHFFFAOYSA-N 2 0 239.363 0.635 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000230948490 358412904 /nfs/dbraw/zinc/41/29/04/358412904.db2.gz BIHCHFYVRFRIFT-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+]C1CC[NH+](C[C@@H](C)COC)CC1 ZINC000045706701 358416120 /nfs/dbraw/zinc/41/61/20/358416120.db2.gz MMDVJMPTMUMNDO-SNVBAGLBSA-N 2 0 200.326 0.953 20 0 BCADRP CC[C@](C)(O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193598810 358434308 /nfs/dbraw/zinc/43/43/08/358434308.db2.gz SWHNWXBMVQVKAY-TUAOUCFPSA-N 2 0 212.337 0.641 20 0 BCADRP Cn1nccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000044516388 358550294 /nfs/dbraw/zinc/55/02/94/358550294.db2.gz TZPBPGYJDAFPMD-UHFFFAOYSA-N 2 0 222.336 0.852 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000049559648 358694998 /nfs/dbraw/zinc/69/49/98/358694998.db2.gz VYWYJENXRJJBEP-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C[NH2+]CC1CC1 ZINC000049559757 358695016 /nfs/dbraw/zinc/69/50/16/358695016.db2.gz LXSWGGRNSNRQOZ-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559633 358695363 /nfs/dbraw/zinc/69/53/63/358695363.db2.gz XKPCFEPKSPLAQH-PWSUYJOCSA-N 2 0 229.368 0.960 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000049559628 358695388 /nfs/dbraw/zinc/69/53/88/358695388.db2.gz IQZOPSKRQROCCQ-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000158461625 358698748 /nfs/dbraw/zinc/69/87/48/358698748.db2.gz RNZGXDHMGUGMJS-NXEZZACHSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@@H]1C[NH3+] ZINC000131912865 358700335 /nfs/dbraw/zinc/70/03/35/358700335.db2.gz SIOFMJIRCJWSOJ-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP CCOC[C@H](C)[NH2+]C[C@H]1CN(C)CCN1C ZINC000133452017 358755073 /nfs/dbraw/zinc/75/50/73/358755073.db2.gz MEEJOZSAYKENNF-RYUDHWBXSA-N 2 0 229.368 0.247 20 0 BCADRP CC[C@@]1(C(=O)NCC[NH2+]C2CC2)CCC[NH2+]1 ZINC000134367539 358788221 /nfs/dbraw/zinc/78/82/21/358788221.db2.gz QPYLOPMOPABYIZ-LBPRGKRZSA-N 2 0 225.336 0.387 20 0 BCADRP CC[C@@]1(C(=O)N2CCC(C[NH3+])CC2)CCC[NH2+]1 ZINC000134365871 358788494 /nfs/dbraw/zinc/78/84/94/358788494.db2.gz FOWGBVMFJQULPR-ZDUSSCGKSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000578235974 366464499 /nfs/dbraw/zinc/46/44/99/366464499.db2.gz LYZFPADKIXUKGZ-NSHDSACASA-N 2 0 239.363 0.573 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136205698 358868881 /nfs/dbraw/zinc/86/88/81/358868881.db2.gz CWSDBBCHQQOKJH-YPMHNXCESA-N 2 0 241.379 0.975 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H](C)C1C[NH2+]C1 ZINC000564082936 358849154 /nfs/dbraw/zinc/84/91/54/358849154.db2.gz CARFPXSNEMJTMJ-PWSUYJOCSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1CCN(C(=O)c2c[nH+]ccc2N)C[C@@H]1C[NH3+] ZINC000564083759 358849899 /nfs/dbraw/zinc/84/98/99/358849899.db2.gz BHMYFJCCWSGLSG-ZJUUUORDSA-N 2 0 248.330 0.551 20 0 BCADRP C[NH+](C)CCCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000055123747 358882688 /nfs/dbraw/zinc/88/26/88/358882688.db2.gz IWKRJMOKLKJSKD-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000136808473 358888373 /nfs/dbraw/zinc/88/83/73/358888373.db2.gz ZFLCDEUJIPBFPY-GHMZBOCLSA-N 2 0 237.347 0.230 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000578320887 366505473 /nfs/dbraw/zinc/50/54/73/366505473.db2.gz JBMLYKNNMDNHBZ-SRVKXCTJSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@H]1CC[N@H+](CC(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000516979946 358965380 /nfs/dbraw/zinc/96/53/80/358965380.db2.gz SPJMLRQVTLYJJT-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+]1CCC(N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000086402731 358966560 /nfs/dbraw/zinc/96/65/60/358966560.db2.gz OATUVQZPPOPFEH-PWSUYJOCSA-N 2 0 211.353 0.940 20 0 BCADRP CCCNC(=O)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086403838 358968734 /nfs/dbraw/zinc/96/87/34/358968734.db2.gz VYGLIHCLUMJSHK-GHMZBOCLSA-N 2 0 227.352 0.762 20 0 BCADRP [NH3+]CCOCCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000086435740 358976472 /nfs/dbraw/zinc/97/64/72/358976472.db2.gz CEGKMKRMHCBHQH-GFCCVEGCSA-N 2 0 227.352 0.132 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)C1CC[NH2+]CC1 ZINC000061645008 358936246 /nfs/dbraw/zinc/93/62/46/358936246.db2.gz CWEGHCYKXCXQDO-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP COC[C@@H](O)C[NH2+][C@H](C)C1=CC[N@H+](C)CC1 ZINC000578351365 366533856 /nfs/dbraw/zinc/53/38/56/366533856.db2.gz UMPITGKKBJTUAE-PWSUYJOCSA-N 2 0 228.336 0.234 20 0 BCADRP COC(=O)CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000069627125 359030644 /nfs/dbraw/zinc/03/06/44/359030644.db2.gz JVJAXLCSKYHJNR-MNOVXSKESA-N 2 0 228.336 0.999 20 0 BCADRP C[NH2+]C[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000309662049 358989090 /nfs/dbraw/zinc/98/90/90/358989090.db2.gz YFPLGOPYURXNFR-NEPJUHHUSA-N 2 0 211.353 0.527 20 0 BCADRP C[C@]1(CN[C@H]2CCC[C@@H]2[NH3+])CCC[NH2+]C1 ZINC000423346143 192723510 /nfs/dbraw/zinc/72/35/10/192723510.db2.gz PSOLDYSKEYLOOT-SRVKXCTJSA-N 2 0 211.353 0.846 20 0 BCADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)COC)C1 ZINC000076003905 359264643 /nfs/dbraw/zinc/26/46/43/359264643.db2.gz HGIMMUCQVWYMSN-OLZOCXBDSA-N 2 0 244.379 0.657 20 0 BCADRP COC[C@]1(CN[C@H](C)[C@@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000423417502 192749671 /nfs/dbraw/zinc/74/96/71/192749671.db2.gz SLWBUMZFOKQTSH-FRRDWIJNSA-N 2 0 241.379 0.485 20 0 BCADRP C[C@H](Cn1cccn1)[NH2+]CC1CC[NH2+]CC1 ZINC000086700659 359355646 /nfs/dbraw/zinc/35/56/46/359355646.db2.gz GOARTIZBCHMBEJ-LLVKDONJSA-N 2 0 222.336 0.861 20 0 BCADRP OCC1([NH2+]CC2CC[NH2+]CC2)CCCC1 ZINC000086701058 359355650 /nfs/dbraw/zinc/35/56/50/359355650.db2.gz KOFTZMSSXUILBT-UHFFFAOYSA-N 2 0 212.337 0.881 20 0 BCADRP C[C@@H](C(N)=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152488045 359335120 /nfs/dbraw/zinc/33/51/20/359335120.db2.gz FEMOGENPPBLSPT-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP CN(C(=O)C[NH2+]C1CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000572282827 359349557 /nfs/dbraw/zinc/34/95/57/359349557.db2.gz QFTAHIPAYCVQBP-GFCCVEGCSA-N 2 0 237.347 0.434 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)C2(N(C)C)CC2)C1 ZINC000611748777 359441703 /nfs/dbraw/zinc/44/17/03/359441703.db2.gz ABOSJLFAJVDOJF-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000423471387 192784871 /nfs/dbraw/zinc/78/48/71/192784871.db2.gz FDHWDAYJUPNAIK-UTLUCORTSA-N 2 0 233.306 0.571 20 0 BCADRP CC[C@H]([NH3+])CN[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423479934 192787653 /nfs/dbraw/zinc/78/76/53/192787653.db2.gz VQCVKAFCXLSNMC-JFGNBEQYSA-N 2 0 211.353 0.796 20 0 BCADRP C[C@@H](NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCCC[NH2+]1 ZINC000423494644 192794354 /nfs/dbraw/zinc/79/43/54/192794354.db2.gz SMUZLIZSLCUSPQ-AGIUHOORSA-N 2 0 241.379 0.485 20 0 BCADRP CCC[C@@H](C(=O)NC[C@H]([NH3+])C1CC1)[NH+](C)C ZINC000423488881 192793095 /nfs/dbraw/zinc/79/30/95/192793095.db2.gz ZJFQOXBVALFXOR-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCCC[NH2+]C1CC1 ZINC000574990065 359526805 /nfs/dbraw/zinc/52/68/05/359526805.db2.gz DKUYGLURBMDLHT-VIFPVBQESA-N 2 0 213.325 0.100 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC[C@H]1CCC[NH2+]C1 ZINC000580431311 359543229 /nfs/dbraw/zinc/54/32/29/359543229.db2.gz ITYNYLMWEJBFJX-WDEREUQCSA-N 2 0 213.369 0.949 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[C@H](C)[NH3+] ZINC000423567212 192814068 /nfs/dbraw/zinc/81/40/68/192814068.db2.gz ZXESGAIIMFRTGS-KXNHARMFSA-N 2 0 241.379 0.720 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623454903 359616229 /nfs/dbraw/zinc/61/62/29/359616229.db2.gz SZUJMUSPYWWFGH-VHSXEESVSA-N 2 0 227.352 0.713 20 0 BCADRP CC(=O)[C@@](C)(O)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000450854440 202290644 /nfs/dbraw/zinc/29/06/44/202290644.db2.gz KLCNMKGAXSWLIT-STQMWFEESA-N 2 0 242.363 0.743 20 0 BCADRP [NH3+]C1(c2noc([C@]3(F)CC[NH2+]C3)n2)CCC1 ZINC000578532091 366593414 /nfs/dbraw/zinc/59/34/14/366593414.db2.gz ZMHBALMDHHQQIS-VIFPVBQESA-N 2 0 226.255 0.566 20 0 BCADRP CN(C)C(=O)CC[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000578532202 366593302 /nfs/dbraw/zinc/59/33/02/366593302.db2.gz FWGDAHJYGYHMCU-NSHDSACASA-N 2 0 213.325 0.054 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)[NH+](C)C ZINC000087122770 359900370 /nfs/dbraw/zinc/90/03/70/359900370.db2.gz QECSGCRPSMSQJA-OUAUKWLOSA-N 2 0 227.352 0.441 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000578631053 366614325 /nfs/dbraw/zinc/61/43/25/366614325.db2.gz OCAGDRRPDXBYEN-WDEREUQCSA-N 2 0 225.336 0.419 20 0 BCADRP CCOCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000578641414 366616694 /nfs/dbraw/zinc/61/66/94/366616694.db2.gz ZEMXANIWIOGZJA-UPJWGTAASA-N 2 0 244.379 0.846 20 0 BCADRP C[C@@H](C(=O)NCC[NH2+]C(C)(C)C)C1C[NH2+]C1 ZINC000578745811 366631277 /nfs/dbraw/zinc/63/12/77/366631277.db2.gz HKTHNFKGKBDDNQ-SECBINFHSA-N 2 0 227.352 0.346 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000088091209 359937351 /nfs/dbraw/zinc/93/73/51/359937351.db2.gz ZCHJCGYUQQDBTN-GARJFASQSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000578729742 366632559 /nfs/dbraw/zinc/63/25/59/366632559.db2.gz XKIVLPFWIDTXRY-NXEZZACHSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164349 359939451 /nfs/dbraw/zinc/93/94/51/359939451.db2.gz WVTWMOCBLLQVCN-YATPEIPISA-N 2 0 239.363 0.855 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000092136971 360153742 /nfs/dbraw/zinc/15/37/42/360153742.db2.gz YRCCNJCLAISKJL-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612875442 360135256 /nfs/dbraw/zinc/13/52/56/360135256.db2.gz FPZKDUYYEGVRSJ-JQWIXIFHSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000430699266 192885344 /nfs/dbraw/zinc/88/53/44/192885344.db2.gz YALMEVVMZUTMRD-WPRPVWTQSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@]1(NC(=O)NC[C@@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000612910929 360173927 /nfs/dbraw/zinc/17/39/27/360173927.db2.gz BMBALNGBXLPFMM-JQWIXIFHSA-N 2 0 240.351 0.180 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612917094 360176428 /nfs/dbraw/zinc/17/64/28/360176428.db2.gz DYMOPLHZXJHOHA-JQWIXIFHSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612922199 360182761 /nfs/dbraw/zinc/18/27/61/360182761.db2.gz CAISQPFCVHDCLG-JFGNBEQYSA-N 2 0 240.351 0.036 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612992293 360248263 /nfs/dbraw/zinc/24/82/63/360248263.db2.gz BZEAUKBTBBKERD-VHSXEESVSA-N 2 0 240.351 0.023 20 0 BCADRP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCC[NH3+] ZINC000094447093 360309214 /nfs/dbraw/zinc/30/92/14/360309214.db2.gz JEDOTZQUTDJMHG-NWDGAFQWSA-N 2 0 239.363 0.811 20 0 BCADRP CC[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000626922894 360510043 /nfs/dbraw/zinc/51/00/43/360510043.db2.gz IBSKZGFHKGMNHI-LLVKDONJSA-N 2 0 240.351 0.132 20 0 BCADRP OC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000631197067 360709912 /nfs/dbraw/zinc/70/99/12/360709912.db2.gz FDZIICJRLYUAJT-FVCCEPFGSA-N 2 0 224.348 0.974 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH3+])C1 ZINC000154393971 360796563 /nfs/dbraw/zinc/79/65/63/360796563.db2.gz GAGUSUDQONWLQI-UWVGGRQHSA-N 2 0 213.325 0.454 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000449749760 200700477 /nfs/dbraw/zinc/70/04/77/200700477.db2.gz GYEUQRRATCVDLV-GMTAPVOTSA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449758251 200701501 /nfs/dbraw/zinc/70/15/01/200701501.db2.gz ZPNKYRJYMNKPQB-OUAUKWLOSA-N 2 0 239.363 0.631 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444175821 200706593 /nfs/dbraw/zinc/70/65/93/200706593.db2.gz MFUBIUSLUBFCLG-OSMZGAPFSA-N 2 0 249.358 0.339 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000449598547 200693406 /nfs/dbraw/zinc/69/34/06/200693406.db2.gz IQKYKVUPFPAFNV-WOPDTQHZSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]CCOCC[NH2+]C1CCC(OC)CC1 ZINC000629391634 361045947 /nfs/dbraw/zinc/04/59/47/361045947.db2.gz CJWFKEHCUXQPNL-UHFFFAOYSA-N 2 0 230.352 0.770 20 0 BCADRP CC(C)[NH+]1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629398883 361047045 /nfs/dbraw/zinc/04/70/45/361047045.db2.gz ZZDUTUAJZZITSD-UHFFFAOYSA-N 3 0 243.395 0.814 20 0 BCADRP CCn1ccnc1C[NH2+]CCOCCC[NH3+] ZINC000629399165 361049095 /nfs/dbraw/zinc/04/90/95/361049095.db2.gz NHOZZHSZQRWBMW-UHFFFAOYSA-N 2 0 226.324 0.358 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@@H]1CCCSC1 ZINC000629399168 361049884 /nfs/dbraw/zinc/04/98/84/361049884.db2.gz NJQBWXNXXBOROS-SNVBAGLBSA-N 2 0 218.366 0.837 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000629401444 361051790 /nfs/dbraw/zinc/05/17/90/361051790.db2.gz AQTSKNQNMUIGEY-WCQYABFASA-N 2 0 241.379 0.295 20 0 BCADRP Cc1ccc(C[NH2+]CCOCCC[NH3+])nc1 ZINC000629400487 361051866 /nfs/dbraw/zinc/05/18/66/361051866.db2.gz ZFABSTIGZMFGQI-UHFFFAOYSA-N 2 0 223.320 0.845 20 0 BCADRP C[C@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H]2C)C[N@@H+]1C1CC1 ZINC000629408655 361059143 /nfs/dbraw/zinc/05/91/43/361059143.db2.gz YBUHJOWKOKIDAU-MEWQQHAOSA-N 2 0 223.364 0.952 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424155754 200869876 /nfs/dbraw/zinc/86/98/76/200869876.db2.gz OFQXBRRUERQQDP-MNOVXSKESA-N 2 0 225.336 0.182 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424217673 200890744 /nfs/dbraw/zinc/89/07/44/200890744.db2.gz NEIJSCRMZHOZQJ-WHOHXGKFSA-N 2 0 239.363 0.761 20 0 BCADRP [NH3+][C@@H]1CCCN(CCOC2CCOCC2)C1 ZINC000629509014 361102455 /nfs/dbraw/zinc/10/24/55/361102455.db2.gz GZMOCGRTURTLLY-LLVKDONJSA-N 2 0 228.336 0.605 20 0 BCADRP CC(C)(C)CNC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000629509865 361104578 /nfs/dbraw/zinc/10/45/78/361104578.db2.gz PNOQLKJQZWMNPI-UHFFFAOYSA-N 2 0 241.379 0.819 20 0 BCADRP [NH3+]CC1CC[NH+](CCOC2CCOCC2)CC1 ZINC000629510787 361108565 /nfs/dbraw/zinc/10/85/65/361108565.db2.gz UDOCFCIPGZJMGO-UHFFFAOYSA-N 2 0 242.363 0.853 20 0 BCADRP COC[C@@H](CCC[NH3+])N[C@@H]1CC[NH2+]C12CCC2 ZINC000629516085 361110112 /nfs/dbraw/zinc/11/01/12/361110112.db2.gz WZVOEYIJJUVGSA-VXGBXAGGSA-N 2 0 241.379 0.615 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000629528335 361132333 /nfs/dbraw/zinc/13/23/33/361132333.db2.gz WLAHHORDXHYWDE-SDDRHHMPSA-N 2 0 211.353 0.859 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000629527727 361133679 /nfs/dbraw/zinc/13/36/79/361133679.db2.gz DDMRKQBKUQKXDA-MMVSWEMESA-N 2 0 211.353 0.986 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCC[C@H]1C[NH3+] ZINC000629528306 361135297 /nfs/dbraw/zinc/13/52/97/361135297.db2.gz WBSDWJOJBXEXBT-FIQHERPVSA-N 2 0 211.353 0.844 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000629528051 361135508 /nfs/dbraw/zinc/13/55/08/361135508.db2.gz NNTILMXEHDCAKW-ZDEQEGDKSA-N 2 0 241.379 0.484 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000629528493 361136542 /nfs/dbraw/zinc/13/65/42/361136542.db2.gz AMYXYVDGDCGVHG-NEPJUHHUSA-N 3 0 229.368 0.295 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)[C@@H](C)OC ZINC000629528761 361138098 /nfs/dbraw/zinc/13/80/98/361138098.db2.gz IRTFONZLJJDPEC-VHSXEESVSA-N 2 0 204.314 0.235 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000629529054 361138636 /nfs/dbraw/zinc/13/86/36/361138636.db2.gz QMJMHQCZXCWMGA-MNOVXSKESA-N 2 0 216.325 0.237 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)Cc1cnccn1 ZINC000629530279 361144657 /nfs/dbraw/zinc/14/46/57/361144657.db2.gz BNDXABGHWYFPFU-LLVKDONJSA-N 2 0 238.335 0.233 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1nccnc1C ZINC000629530652 361145836 /nfs/dbraw/zinc/14/58/36/361145836.db2.gz MTBPUKCBFFHWHD-NSHDSACASA-N 2 0 238.335 0.672 20 0 BCADRP C[NH2+]CCOCCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000629531447 361148714 /nfs/dbraw/zinc/14/87/14/361148714.db2.gz LEZNMITWLLIEMH-VXGBXAGGSA-N 2 0 229.368 0.343 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000629531747 361148947 /nfs/dbraw/zinc/14/89/47/361148947.db2.gz WOZQUZQVURDRLL-MXWKQRLJSA-N 2 0 200.326 0.857 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1COCCN1C ZINC000629532564 361153154 /nfs/dbraw/zinc/15/31/54/361153154.db2.gz HCWVWIQRZMTQHC-NWDGAFQWSA-N 2 0 229.368 0.424 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1COCCN1C ZINC000629532823 361155266 /nfs/dbraw/zinc/15/52/66/361155266.db2.gz VGVZTNUWQUANRL-AXFHLTTASA-N 2 0 215.341 0.032 20 0 BCADRP CN1CCOC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629532806 361156265 /nfs/dbraw/zinc/15/62/65/361156265.db2.gz UEBOBSRSIUAWMF-ZGVCCVRISA-N 2 0 239.363 0.190 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000629524212 361122978 /nfs/dbraw/zinc/12/29/78/361122978.db2.gz NVSWEPLSVASOCC-LZQZFOIKSA-N 2 0 237.347 0.228 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000629525031 361125498 /nfs/dbraw/zinc/12/54/98/361125498.db2.gz XZRNURBBYMQLGV-XWLWVQCSSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424469862 200929022 /nfs/dbraw/zinc/92/90/22/200929022.db2.gz PUAQEQGHQSSLKS-ZYUZMQFOSA-N 2 0 228.340 0.291 20 0 BCADRP CCC(CC)[C@@H](CNC(N)=[NH2+])[NH+](C)C ZINC000066245153 361170633 /nfs/dbraw/zinc/17/06/33/361170633.db2.gz GDVNXEAFQJGLDX-SECBINFHSA-N 2 0 200.330 0.836 20 0 BCADRP [NH3+][C@H](C(=O)NCC1([NH3+])CCC1)C1CCC1 ZINC000579003782 366692464 /nfs/dbraw/zinc/69/24/64/366692464.db2.gz QNCVEHIXQXSAHT-VIFPVBQESA-N 2 0 211.309 0.111 20 0 BCADRP CC(C)COC[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000613210733 361260383 /nfs/dbraw/zinc/26/03/83/361260383.db2.gz SASXBBQWEXUWDE-JHJVBQTASA-N 2 0 242.363 0.171 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000579142416 366724717 /nfs/dbraw/zinc/72/47/17/366724717.db2.gz NSXFAUSLADOSAG-NXEZZACHSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCCC[NH3+] ZINC000579227116 366738040 /nfs/dbraw/zinc/73/80/40/366738040.db2.gz MTZCMGMUJCVCRZ-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000579229572 366739259 /nfs/dbraw/zinc/73/92/59/366739259.db2.gz JBELVLOMCLUJIE-OUAUKWLOSA-N 2 0 227.352 0.713 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000622044450 370675669 /nfs/dbraw/zinc/67/56/69/370675669.db2.gz GAKOZCLFBHLHEN-IJLUTSLNSA-N 2 0 225.336 0.467 20 0 BCADRP CC[C@@H](C(=O)N1CC[NH2+]CC1)[NH+](CC)CC ZINC000428480806 201023590 /nfs/dbraw/zinc/02/35/90/201023590.db2.gz MAGWJSYWSWQUNG-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000622044560 370676990 /nfs/dbraw/zinc/67/69/90/370676990.db2.gz KOHHRQASFIVUSE-RAIGVLPGSA-N 2 0 239.363 0.585 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000622044766 370677410 /nfs/dbraw/zinc/67/74/10/370677410.db2.gz RXVFYYFFOCQRML-JHJVBQTASA-N 2 0 239.363 0.714 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000622044919 370678608 /nfs/dbraw/zinc/67/86/08/370678608.db2.gz XXCZAWVZCTUSIH-ATZCPNFKSA-N 2 0 213.325 0.323 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH3+])CC1 ZINC000428798234 201043911 /nfs/dbraw/zinc/04/39/11/201043911.db2.gz ASBDQIVRIUXHHQ-UHFFFAOYSA-N 2 0 227.352 0.524 20 0 BCADRP [NH3+]C1(CNC(=O)c2ccc3c(c2)C[NH2+]C3)CCC1 ZINC000336533100 181330717 /nfs/dbraw/zinc/33/07/17/181330717.db2.gz CLEJIXVLRMGLFU-UHFFFAOYSA-N 2 0 245.326 0.901 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]([NH3+])C(C)(C)C ZINC000162933703 361372326 /nfs/dbraw/zinc/37/23/26/361372326.db2.gz LHRXAFSFIDNESR-VIFPVBQESA-N 2 0 215.341 0.428 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000428957085 201052433 /nfs/dbraw/zinc/05/24/33/201052433.db2.gz ZTVBPMIYZOVXAL-USZNOCQGSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428983122 201054583 /nfs/dbraw/zinc/05/45/83/201054583.db2.gz UYIOECQVOJPVTM-UTUOFQBUSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H](C)C[NH3+])C1 ZINC000640662977 361354773 /nfs/dbraw/zinc/35/47/73/361354773.db2.gz OARAQQSEQSAXSR-MNOVXSKESA-N 2 0 242.367 0.506 20 0 BCADRP CC[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000429085195 201065917 /nfs/dbraw/zinc/06/59/17/201065917.db2.gz ZITOYQXAVRHQRX-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@]2(F)CC[NH2+]C2)CCCCC1 ZINC000363762833 181330902 /nfs/dbraw/zinc/33/09/02/181330902.db2.gz WYDWDTUCVPYDJV-GFCCVEGCSA-N 2 0 243.326 0.466 20 0 BCADRP CC(C)(C[NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000429102698 201068534 /nfs/dbraw/zinc/06/85/34/201068534.db2.gz AVUITMWVIGRAFS-NSHDSACASA-N 2 0 235.331 0.788 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000429192628 201078317 /nfs/dbraw/zinc/07/83/17/201078317.db2.gz IBWBPUWLGIMZQP-QWRGUYRKSA-N 2 0 239.363 0.749 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000429189619 201079206 /nfs/dbraw/zinc/07/92/06/201079206.db2.gz CLKJHOKHHVAMDN-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000429239479 201083054 /nfs/dbraw/zinc/08/30/54/201083054.db2.gz QPVCEONDNUEIFP-UTUOFQBUSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H](Cc1cnccn1)[NH2+]CCOCCC[NH3+] ZINC000629539281 361404606 /nfs/dbraw/zinc/40/46/06/361404606.db2.gz PDFAEBKWUGNYCK-NSHDSACASA-N 2 0 238.335 0.363 20 0 BCADRP C[C@@H]1COCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629539040 361404675 /nfs/dbraw/zinc/40/46/75/361404675.db2.gz OZDWFLUTYYTEHM-GHMZBOCLSA-N 2 0 216.325 0.366 20 0 BCADRP CCC[N@H+](C)CC(=O)NC1(C[NH3+])CCCC1 ZINC000429410057 201107130 /nfs/dbraw/zinc/10/71/30/201107130.db2.gz ZDNLRWCSBAWMTK-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629539439 361405959 /nfs/dbraw/zinc/40/59/59/361405959.db2.gz RFZLJSOFTUPEQV-RYUDHWBXSA-N 3 0 229.368 0.330 20 0 BCADRP [NH3+]CCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629536676 361399633 /nfs/dbraw/zinc/39/96/33/361399633.db2.gz GWTPBZLVRKPNIU-FOSCPWQOSA-N 3 0 227.352 0.224 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629537126 361401233 /nfs/dbraw/zinc/40/12/33/361401233.db2.gz IDZZQGGDDTUFES-YNEHKIRRSA-N 3 0 241.379 0.330 20 0 BCADRP CC[C@@H]([NH2+]CCOCCC[NH3+])c1nccn1C ZINC000629538160 361402381 /nfs/dbraw/zinc/40/23/81/361402381.db2.gz MTBBPQOMMAHDEV-LLVKDONJSA-N 2 0 240.351 0.826 20 0 BCADRP CC[C@H](C(=O)N1CC[NH2+][C@H](C)C1)[NH+](CC)CC ZINC000429344198 201102676 /nfs/dbraw/zinc/10/26/76/201102676.db2.gz IAKKEQVZPUNNIZ-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@H](C(=O)N[C@@H](C[NH3+])C1CC1)[NH+](CC)CC ZINC000429557921 201116495 /nfs/dbraw/zinc/11/64/95/201116495.db2.gz DDPUOSSTCVVWFV-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCCC[C@H]1C[NH3+] ZINC000629543729 361412743 /nfs/dbraw/zinc/41/27/43/361412743.db2.gz ALXBUPFKWQZPSW-YFKTTZPYSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC(C)(C)[NH3+] ZINC000429651250 201124328 /nfs/dbraw/zinc/12/43/28/201124328.db2.gz RTQDMXIFEDQIMM-UWVGGRQHSA-N 2 0 227.352 0.713 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000629540173 361414094 /nfs/dbraw/zinc/41/40/94/361414094.db2.gz UULOKZPHONCQEM-VXGBXAGGSA-N 2 0 229.368 0.601 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000629540172 361414344 /nfs/dbraw/zinc/41/43/44/361414344.db2.gz UULOKZPHONCQEM-RYUDHWBXSA-N 2 0 229.368 0.601 20 0 BCADRP CC1(CNC(=O)C[C@@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000181284701 366801670 /nfs/dbraw/zinc/80/16/70/366801670.db2.gz FFLGOVFUEXLPPO-NSHDSACASA-N 2 0 239.363 0.634 20 0 BCADRP C[N@H+](CCNC(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000579452071 366805904 /nfs/dbraw/zinc/80/59/04/366805904.db2.gz OTQIGUYHKYJDKU-SNVBAGLBSA-N 2 0 240.351 0.132 20 0 BCADRP [NH3+]CCCOCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000629535476 361409883 /nfs/dbraw/zinc/40/98/83/361409883.db2.gz CGJXEJWBABVNEP-UHFFFAOYSA-N 3 0 229.368 0.459 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCCCC[C@H]1[NH3+] ZINC000629544570 361423086 /nfs/dbraw/zinc/42/30/86/361423086.db2.gz IMOSBAYEKIYSDS-QCNOEVLYSA-N 2 0 211.353 0.986 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000629546906 361429522 /nfs/dbraw/zinc/42/95/22/361429522.db2.gz ITZOMSUQCXCPCR-RWMBFGLXSA-N 2 0 242.363 0.897 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[NH2+]CC[C@@H]1C ZINC000629547223 361430855 /nfs/dbraw/zinc/43/08/55/361430855.db2.gz SCQVPUZYWFISCC-FIQHERPVSA-N 2 0 211.353 0.715 20 0 BCADRP CC[C@@H](N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000629547591 361431320 /nfs/dbraw/zinc/43/13/20/361431320.db2.gz SPZDNGBOWGCJDG-QCNOEVLYSA-N 2 0 211.353 0.857 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]CCN1CC[C@@H](O)C1 ZINC000629548202 361432882 /nfs/dbraw/zinc/43/28/82/361432882.db2.gz WIVQZHKLCIVBEH-NWDGAFQWSA-N 2 0 229.368 0.160 20 0 BCADRP C[N@@H+]1CCC[C@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000629549273 361434690 /nfs/dbraw/zinc/43/46/90/361434690.db2.gz GVSGZDGDCZISDY-SRVKXCTJSA-N 2 0 211.353 0.940 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOCCC[NH3+])[C@H](C)C1 ZINC000629541599 361416476 /nfs/dbraw/zinc/41/64/76/361416476.db2.gz RVJVSKZFMJTSRG-CHWSQXEVSA-N 3 0 243.395 0.672 20 0 BCADRP Cc1ncsc1CC[N@H+](C)CCOCC[NH3+] ZINC000629578182 361464430 /nfs/dbraw/zinc/46/44/30/361464430.db2.gz NWEOZDJQBCNRRZ-UHFFFAOYSA-N 2 0 243.376 0.901 20 0 BCADRP C[N@H+](CCOCC[NH3+])CCOC[C@H]1CCCO1 ZINC000629579337 361465065 /nfs/dbraw/zinc/46/50/65/361465065.db2.gz SDBFNNYESRGCMQ-GFCCVEGCSA-N 2 0 246.351 0.089 20 0 BCADRP O[C@H](C[NH2+][C@@H]1CC[C@@H](O)CC1)C[NH+]1CCCC1 ZINC000629579254 361465107 /nfs/dbraw/zinc/46/51/07/361465107.db2.gz CPLSNPFUYAEFSL-JHJVBQTASA-N 2 0 242.363 0.336 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CCO[C@H](CCF)C1 ZINC000629580953 361470511 /nfs/dbraw/zinc/47/05/11/361470511.db2.gz HFGSGMIFBPKPPB-MNOVXSKESA-N 2 0 234.315 0.017 20 0 BCADRP C[N@H+](CCOCC[NH3+])CC[C@H]1CCCCO1 ZINC000629581372 361471568 /nfs/dbraw/zinc/47/15/68/361471568.db2.gz YLDLTZSZIZTWMV-GFCCVEGCSA-N 2 0 230.352 0.853 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000433172206 201162953 /nfs/dbraw/zinc/16/29/53/201162953.db2.gz GTSDKJXEHZUTIA-NEPJUHHUSA-N 2 0 241.379 0.723 20 0 BCADRP COC[C@@]1(C)CN(C[C@H]2CC[NH2+]C2)CCO1 ZINC000629594445 361486301 /nfs/dbraw/zinc/48/63/01/361486301.db2.gz CSRXJNWAZSFXHF-NWDGAFQWSA-N 2 0 228.336 0.333 20 0 BCADRP COC[C@@]1(C)CN(C[C@@H]2CC[NH2+]C2)CCO1 ZINC000629594447 361486575 /nfs/dbraw/zinc/48/65/75/361486575.db2.gz CSRXJNWAZSFXHF-VXGBXAGGSA-N 2 0 228.336 0.333 20 0 BCADRP O=C(CC[NH+](C1CC1)C1CC1)N1CC[NH2+]CC1 ZINC000629562221 361455895 /nfs/dbraw/zinc/45/58/95/361455895.db2.gz CBOHQMPNFNLJOW-UHFFFAOYSA-N 2 0 237.347 0.435 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CC12CC[NH2+]CC2)[NH+](C)C ZINC000629612700 361499079 /nfs/dbraw/zinc/49/90/79/361499079.db2.gz GKFSNMJRNAZIOM-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H](C(=O)NCC1CC[NH2+]CC1)[NH+](C)C ZINC000629610399 361500347 /nfs/dbraw/zinc/50/03/47/361500347.db2.gz BOFWLIBCDRYOJM-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@@H](C(=O)NC[C@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000629611735 361501123 /nfs/dbraw/zinc/50/11/23/361501123.db2.gz CXRHNIXTXZXWOW-WCQYABFASA-N 2 0 241.379 0.833 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](CC)[NH+](C)C ZINC000629611719 361501256 /nfs/dbraw/zinc/50/12/56/361501256.db2.gz BZDBHOOKCYHYNU-MNOVXSKESA-N 2 0 229.368 0.960 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC000629612258 361501994 /nfs/dbraw/zinc/50/19/94/361501994.db2.gz ZQHLAJNICBPVLU-SNVBAGLBSA-N 2 0 215.341 0.442 20 0 BCADRP CC[C@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+](C)C ZINC000629612001 361502702 /nfs/dbraw/zinc/50/27/02/361502702.db2.gz OGKTWTFCBIICAP-OUAUKWLOSA-N 2 0 227.352 0.441 20 0 BCADRP CC[C@H](C(=O)NCC1=CC[NH2+]CC1)[NH+](C)C ZINC000629611927 361502787 /nfs/dbraw/zinc/50/27/87/361502787.db2.gz KKFLOODBJKQFLT-LLVKDONJSA-N 2 0 225.336 0.363 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)[NH+](C)C ZINC000629615395 361503465 /nfs/dbraw/zinc/50/34/65/361503465.db2.gz OMKTULVUTOZJSH-SDDRHHMPSA-N 2 0 241.379 0.770 20 0 BCADRP CC[C@H](C(=O)NC[C@@H]([NH3+])C(C)C)[NH+](C)C ZINC000629615619 361505182 /nfs/dbraw/zinc/50/51/82/361505182.db2.gz WODQBZVDCTZIOZ-NXEZZACHSA-N 2 0 215.341 0.426 20 0 BCADRP CC[C@@H](C(=O)N1CCC(CC[NH3+])CC1)[NH+](C)C ZINC000629615965 361505647 /nfs/dbraw/zinc/50/56/47/361505647.db2.gz USVDIPPCGQSGCN-LBPRGKRZSA-N 2 0 241.379 0.914 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)[NH+](C)C ZINC000629614314 361509785 /nfs/dbraw/zinc/50/97/85/361509785.db2.gz YIQNHJXKRANROW-LPEHRKFASA-N 2 0 213.325 0.275 20 0 BCADRP CC[C@H](C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000629614422 361510033 /nfs/dbraw/zinc/51/00/33/361510033.db2.gz JMISDJLXXVEVLL-IJLUTSLNSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@@H](C(=O)N[C@@H](C)CC[NH3+])[NH+](C)C ZINC000629612266 361497748 /nfs/dbraw/zinc/49/77/48/361497748.db2.gz ZWBZDJPTFNZDSF-IUCAKERBSA-N 2 0 201.314 0.180 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CC1=CCCOC1 ZINC000629654962 361558401 /nfs/dbraw/zinc/55/84/01/361558401.db2.gz UUGMVPXGECGAOB-UHFFFAOYSA-N 2 0 228.336 0.501 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](NCC2([NH3+])CCOCC2)C1 ZINC000629654610 361558450 /nfs/dbraw/zinc/55/84/50/361558450.db2.gz NFPXYPRYVOAYOS-QWRGUYRKSA-N 2 0 227.352 0.082 20 0 BCADRP C1=C(C[NH2+]CC[C@@H]2CC[NH2+]C2)COCC1 ZINC000629647597 361537500 /nfs/dbraw/zinc/53/75/00/361537500.db2.gz ARYSWJNPAXDKIP-NSHDSACASA-N 2 0 210.321 0.922 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[NH2+]C[C@H](C)C1 ZINC000629655436 361560580 /nfs/dbraw/zinc/56/05/80/361560580.db2.gz WVMIHUNQLZWVRE-NOOOWODRSA-N 2 0 211.353 0.715 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)Cc1cn(C)nc1C ZINC000629653739 361554308 /nfs/dbraw/zinc/55/43/08/361554308.db2.gz MTNKEWHLKLENOW-UHFFFAOYSA-N 2 0 240.351 0.396 20 0 BCADRP CC(C)C[C@H]([NH3+])CNCC1([NH3+])CCOCC1 ZINC000629653966 361554717 /nfs/dbraw/zinc/55/47/17/361554717.db2.gz KMHLTQFAILNCOK-NSHDSACASA-N 2 0 229.368 0.457 20 0 BCADRP Cc1cc(C[NH2+]CCOCCC[NH3+])nn1C ZINC000629677150 361599401 /nfs/dbraw/zinc/59/94/01/361599401.db2.gz CSWOVZQLEDQAAI-UHFFFAOYSA-N 2 0 226.324 0.184 20 0 BCADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCOCCC[NH3+] ZINC000629677873 361600257 /nfs/dbraw/zinc/60/02/57/361600257.db2.gz IKJDCLRDKKVMNP-NEPJUHHUSA-N 3 0 229.368 0.472 20 0 BCADRP COC1(C[NH2+]CCOCCC[NH3+])CCCC1 ZINC000629677764 361600769 /nfs/dbraw/zinc/60/07/69/361600769.db2.gz GYISOIXQCXRMTN-UHFFFAOYSA-N 2 0 230.352 0.901 20 0 BCADRP [NH3+]CCCOCC[NH2+]C[C@@H]1CCSC1 ZINC000629680480 361602120 /nfs/dbraw/zinc/60/21/20/361602120.db2.gz RXKJHKYZVUFPTJ-JTQLQIEISA-N 2 0 218.366 0.695 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]CC1=CCCOC1 ZINC000379739504 361574334 /nfs/dbraw/zinc/57/43/34/361574334.db2.gz ZNQBGXOPSDHICA-ZYHUDNBSSA-N 2 0 210.321 0.921 20 0 BCADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+][C@H]1C ZINC000629671682 361590356 /nfs/dbraw/zinc/59/03/56/361590356.db2.gz DCFVCKWOKAAOBB-NOOOWODRSA-N 2 0 211.353 0.857 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000153242073 201229734 /nfs/dbraw/zinc/22/97/34/201229734.db2.gz UBBOJDAZXFOGOS-OUAUKWLOSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000629672229 361613983 /nfs/dbraw/zinc/61/39/83/361613983.db2.gz OQNZSFJGBMZTPL-WRWGMCAJSA-N 3 0 211.353 0.715 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000195157525 361639390 /nfs/dbraw/zinc/63/93/90/361639390.db2.gz GOELIICOPAXDHI-VWYCJHECSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000435872158 201292283 /nfs/dbraw/zinc/29/22/83/201292283.db2.gz WVUCDERKHHIRJF-NSHDSACASA-N 2 0 227.352 0.573 20 0 BCADRP CCCC[C@@H](COC)[NH2+]C[C@H](O)CN(C)C ZINC000154329602 201274513 /nfs/dbraw/zinc/27/45/13/201274513.db2.gz RCHXPAOHYUAZHN-RYUDHWBXSA-N 2 0 232.368 0.704 20 0 BCADRP c1cc(N2CC[NH2+]CC2)ncc1C1=CC[NH2+]CC1 ZINC000629722459 361662641 /nfs/dbraw/zinc/66/26/41/361662641.db2.gz AWFQANDCHWPWOW-UHFFFAOYSA-N 2 0 244.342 0.868 20 0 BCADRP CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436058320 201307834 /nfs/dbraw/zinc/30/78/34/201307834.db2.gz IOCJCQLRTHGLLO-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[NH2+]CCCN1CC[NH+](CCOC(C)C)CC1 ZINC000435878982 201292627 /nfs/dbraw/zinc/29/26/27/201292627.db2.gz HYRCTONRRVWBKB-UHFFFAOYSA-N 2 0 243.395 0.639 20 0 BCADRP CC[C@@H]1CN(CCC[NH2+]C)CC[N@@H+]1C[C@H](C)O ZINC000435872907 201292993 /nfs/dbraw/zinc/29/29/93/201292993.db2.gz SIWSFGHGPQPUMQ-QWHCGFSZSA-N 2 0 243.395 0.373 20 0 BCADRP C[NH2+]CCC[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000435873729 201293031 /nfs/dbraw/zinc/29/30/31/201293031.db2.gz WYHAVJHGRSNLCF-UHFFFAOYSA-N 2 0 225.336 0.198 20 0 BCADRP CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155822572 201353872 /nfs/dbraw/zinc/35/38/72/201353872.db2.gz NTRFOANFQOITMM-QJPTWQEYSA-N 2 0 212.337 0.974 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627244494 363847311 /nfs/dbraw/zinc/84/73/11/363847311.db2.gz ANRONRFFTQQWIJ-LMLFDSFASA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000627246183 363849802 /nfs/dbraw/zinc/84/98/02/363849802.db2.gz YDIMQVNBEFNRMI-VPOLOUISSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(C)([NH3+])CC1 ZINC000627246334 363849814 /nfs/dbraw/zinc/84/98/14/363849814.db2.gz ZXNDFEOTHKMYHL-VHSXEESVSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000627246185 363850020 /nfs/dbraw/zinc/85/00/20/363850020.db2.gz YDIMQVNBEFNRMI-XWLWVQCSSA-N 2 0 240.351 0.116 20 0 BCADRP [NH3+]CC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000335063269 181351791 /nfs/dbraw/zinc/35/17/91/181351791.db2.gz QQBROKXHIFYOCZ-UHFFFAOYSA-N 2 0 237.347 0.215 20 0 BCADRP C[C@]1(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC[NH2+]C1 ZINC000663013913 541321290 /nfs/dbraw/zinc/32/12/90/541321290.db2.gz HHSHWIVIQIHTSI-KGYLQXTDSA-N 2 0 237.347 0.244 20 0 BCADRP [NH3+]CC(=O)NCCC[NH+]1CCCCCC1 ZINC000237967046 181352771 /nfs/dbraw/zinc/35/27/71/181352771.db2.gz RHTVUIIERUANMO-UHFFFAOYSA-N 2 0 213.325 0.327 20 0 BCADRP [NH3+]CC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375959773 181355004 /nfs/dbraw/zinc/35/50/04/181355004.db2.gz VIKNAZIKELDQAK-UHFFFAOYSA-N 2 0 205.261 0.230 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)C)CC[N@@H+]1C ZINC000630409056 364141543 /nfs/dbraw/zinc/14/15/43/364141543.db2.gz YWGDEIILAVSQQX-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP C[NH+](C)CC(=O)NCCC1CC[NH+](C)CC1 ZINC000170760918 364168540 /nfs/dbraw/zinc/16/85/40/364168540.db2.gz ZXNUOATWGKDEGJ-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP CC(C)([NH3+])c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630604534 364328796 /nfs/dbraw/zinc/32/87/96/364328796.db2.gz SSFYSJATLBPVQF-QMMMGPOBSA-N 2 0 209.297 0.224 20 0 BCADRP CC[NH2+]Cc1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607676 364333359 /nfs/dbraw/zinc/33/33/59/364333359.db2.gz LZRGREBHUPLNGX-UHFFFAOYSA-N 2 0 231.303 0.836 20 0 BCADRP c1c(C[C@@H]2CC[NH2+]C2)nnn1C[C@H]1CCC[NH2+]1 ZINC000630605760 364336639 /nfs/dbraw/zinc/33/66/39/364336639.db2.gz OWFRIFUJXNOMSR-WDEREUQCSA-N 2 0 235.335 0.182 20 0 BCADRP c1c(C[C@@H]2CC[NH2+]C2)nnn1-c1ccncc1 ZINC000630587304 364294057 /nfs/dbraw/zinc/29/40/57/364294057.db2.gz XYOLOFDYAAOTNM-JTQLQIEISA-N 2 0 229.287 0.814 20 0 BCADRP CC(C)(C[NH3+])Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000630592659 364298723 /nfs/dbraw/zinc/29/87/23/364298723.db2.gz VUFUDCISDIPFNO-SNVBAGLBSA-N 2 0 237.351 0.415 20 0 BCADRP c1c(C[C@@H]2CC[NH2+]C2)nnn1C1CC[NH2+]CC1 ZINC000630592196 364305813 /nfs/dbraw/zinc/30/58/13/364305813.db2.gz NCZMEDFBLUKABT-JTQLQIEISA-N 2 0 235.335 0.355 20 0 BCADRP c1c(C[C@H]2CC[NH2+]C2)nnn1[C@@H]1CCC[NH2+]C1 ZINC000630595920 364310880 /nfs/dbraw/zinc/31/08/80/364310880.db2.gz KUEWLDMPYRTLAJ-ZYHUDNBSSA-N 2 0 235.335 0.355 20 0 BCADRP c1c(CN2CCCC2)nnn1CC[NH+]1CCCC1 ZINC000630617994 364360678 /nfs/dbraw/zinc/36/06/78/364360678.db2.gz IOIWSRNONNTXBI-UHFFFAOYSA-N 2 0 249.362 0.970 20 0 BCADRP CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000078553828 364447653 /nfs/dbraw/zinc/44/76/53/364447653.db2.gz RUSSQCOICJQFIR-UHFFFAOYSA-N 2 0 244.383 0.531 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000237846522 181366577 /nfs/dbraw/zinc/36/65/77/181366577.db2.gz IMNMDMLEPCCWRN-LBPRGKRZSA-N 2 0 239.363 0.812 20 0 BCADRP [NH3+]CCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000108325574 181367042 /nfs/dbraw/zinc/36/70/42/181367042.db2.gz VRRWDYBSUQMHEZ-UHFFFAOYSA-N 2 0 211.309 0.032 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000373565229 181367062 /nfs/dbraw/zinc/36/70/62/181367062.db2.gz ZEPSVZVHHVLRPI-QWRGUYRKSA-N 2 0 225.336 0.326 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000615310745 364685428 /nfs/dbraw/zinc/68/54/28/364685428.db2.gz XUXYPARZLJGXNB-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP CC(C)(C[NH3+])NC(=O)NCCC[NH2+]C1CC1 ZINC000418284962 219950693 /nfs/dbraw/zinc/95/06/93/219950693.db2.gz DFSUKDUMFDTNEF-UHFFFAOYSA-N 2 0 228.340 0.165 20 0 BCADRP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)C1([NH+](C)C)CC1 ZINC000615320977 364691641 /nfs/dbraw/zinc/69/16/41/364691641.db2.gz YUIMSRHOHUFUCS-QWRGUYRKSA-N 2 0 239.363 0.632 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000573325823 364801179 /nfs/dbraw/zinc/80/11/79/364801179.db2.gz SZYVWNYPVLHXAI-OPRDCNLKSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)[C@@H](C)[NH3+] ZINC000573316535 364791697 /nfs/dbraw/zinc/79/16/97/364791697.db2.gz QIHXYQMHTNCYQZ-MXWKQRLJSA-N 2 0 227.352 0.426 20 0 BCADRP CC1(C)OCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000336898974 364852482 /nfs/dbraw/zinc/85/24/82/364852482.db2.gz QUPPAYBYRLBBGB-NWDGAFQWSA-N 2 0 242.363 0.600 20 0 BCADRP CC1(C)OCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000336898976 364852536 /nfs/dbraw/zinc/85/25/36/364852536.db2.gz QUPPAYBYRLBBGB-RYUDHWBXSA-N 2 0 242.363 0.600 20 0 BCADRP C[NH+](C)CC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000167933028 364822658 /nfs/dbraw/zinc/82/26/58/364822658.db2.gz CRWHNJPJPNGEQS-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP [NH3+]CCCN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000573431497 364830773 /nfs/dbraw/zinc/83/07/73/364830773.db2.gz OSQUSBGTKSAVCV-NWDGAFQWSA-N 2 0 211.353 0.942 20 0 BCADRP CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000573437171 364831367 /nfs/dbraw/zinc/83/13/67/364831367.db2.gz UEPVGEGAJYEBDH-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000573437396 364832653 /nfs/dbraw/zinc/83/26/53/364832653.db2.gz IZPTVFYBPMAXAW-SDDRHHMPSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000573442627 364833432 /nfs/dbraw/zinc/83/34/32/364833432.db2.gz MFVLQUFXOUNPDG-ZETCQYMHSA-N 2 0 237.294 0.473 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000573445393 364835053 /nfs/dbraw/zinc/83/50/53/364835053.db2.gz VEIBTKZVHDWSEP-CHWSQXEVSA-N 3 0 225.380 0.917 20 0 BCADRP CC[NH2+]CCNC(=O)NCCC[NH2+]C(C)C ZINC000573466298 364841749 /nfs/dbraw/zinc/84/17/49/364841749.db2.gz QETVBXVRMUKGTR-UHFFFAOYSA-N 2 0 230.356 0.283 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000573584232 364868276 /nfs/dbraw/zinc/86/82/76/364868276.db2.gz ZUJQNGXOXGSRDE-QWRGUYRKSA-N 2 0 242.367 0.506 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000573622176 364878134 /nfs/dbraw/zinc/87/81/34/364878134.db2.gz ZQJRTSZRJNITHJ-USZNOCQGSA-N 2 0 239.363 0.713 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000573622177 364878850 /nfs/dbraw/zinc/87/88/50/364878850.db2.gz ZQJRTSZRJNITHJ-WYUUTHIRSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000037824260 181371835 /nfs/dbraw/zinc/37/18/35/181371835.db2.gz LHOYSZXQKYZFOI-GFCCVEGCSA-N 2 0 239.363 0.812 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000573799867 364917604 /nfs/dbraw/zinc/91/76/04/364917604.db2.gz HACWAYOPIZKIFP-UWVGGRQHSA-N 2 0 230.356 0.411 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000573815122 364924189 /nfs/dbraw/zinc/92/41/89/364924189.db2.gz LWMKHWKBFUZWGT-UWVGGRQHSA-N 2 0 213.325 0.004 20 0 BCADRP C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000573862041 364933403 /nfs/dbraw/zinc/93/34/03/364933403.db2.gz CAFJLQOAXKPNJN-MXWKQRLJSA-N 2 0 248.392 0.669 20 0 BCADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334201871 541412698 /nfs/dbraw/zinc/41/26/98/541412698.db2.gz OMSAVVDFFRUSHK-YPMHNXCESA-N 2 0 237.347 0.341 20 0 BCADRP C[C@@H]([NH2+]C[C@H](O)CN(C)C)C1CC[NH+](C)CC1 ZINC000154387140 541417403 /nfs/dbraw/zinc/41/74/03/541417403.db2.gz FAXPTYBCOPHMQV-YPMHNXCESA-N 2 0 243.395 0.229 20 0 BCADRP CCCCNC(=O)CC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000573966977 364955657 /nfs/dbraw/zinc/95/56/57/364955657.db2.gz ICUYJYJSEPXMMC-GFCCVEGCSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@@H]1CCN(C(=O)CCC[NH3+])C[C@@H]1C[NH3+] ZINC000574039323 364964923 /nfs/dbraw/zinc/96/49/23/364964923.db2.gz KNNPXQLBQCKVKA-ZJUUUORDSA-N 2 0 213.325 0.169 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@H+](C)CCC1CCOCC1 ZINC000574046942 364975042 /nfs/dbraw/zinc/97/50/42/364975042.db2.gz QSUVOAHGXJZTAO-ZDUSSCGKSA-N 2 0 244.379 0.705 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000574210703 365001391 /nfs/dbraw/zinc/00/13/91/365001391.db2.gz XCFMMINSNNVBNR-ZJUUUORDSA-N 2 0 215.341 0.570 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000574212046 365008114 /nfs/dbraw/zinc/00/81/14/365008114.db2.gz GNGKBXRQXCDPSL-STQMWFEESA-N 2 0 241.379 0.127 20 0 BCADRP [NH3+]CCCN(CC1CCCC1)C(=O)CC[NH3+] ZINC000357363125 181380082 /nfs/dbraw/zinc/38/00/82/181380082.db2.gz NZVXJOFJZORAIA-UHFFFAOYSA-N 2 0 227.352 0.703 20 0 BCADRP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)C1CC1)[NH+](C)C ZINC000162174314 541446684 /nfs/dbraw/zinc/44/66/84/541446684.db2.gz PECIJZIQCARMPP-CMPLNLGQSA-N 2 0 241.379 0.926 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000574414693 365057786 /nfs/dbraw/zinc/05/77/86/365057786.db2.gz ZVDMGXURVHDTGX-GFCCVEGCSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@H]1C[C@H](NC(=O)c2ccnc(C[NH3+])c2)CC[NH2+]1 ZINC000574276160 365026210 /nfs/dbraw/zinc/02/62/10/365026210.db2.gz KWKGBWZVGBFQSQ-GXSJLCMTSA-N 2 0 248.330 0.411 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000574279527 365027946 /nfs/dbraw/zinc/02/79/46/365027946.db2.gz KFQMEDQGZKDPOF-RCWTZXSCSA-N 2 0 227.352 0.617 20 0 BCADRP C[NH2+]C[C@](C)(O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000574284208 365029344 /nfs/dbraw/zinc/02/93/44/365029344.db2.gz PGNSQXUNFJHCHB-SRVKXCTJSA-N 2 0 214.353 0.935 20 0 BCADRP CC[NH2+]CCCNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000574548908 365088016 /nfs/dbraw/zinc/08/80/16/365088016.db2.gz UIBQRNYMKHPAGW-GHMZBOCLSA-N 2 0 242.367 0.378 20 0 BCADRP [NH3+]CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000332638986 181394070 /nfs/dbraw/zinc/39/40/70/181394070.db2.gz IUFFKCLHKKIGNC-LLVKDONJSA-N 2 0 240.351 0.215 20 0 BCADRP CO[C@@H](C[NH3+])CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000574571285 365091999 /nfs/dbraw/zinc/09/19/99/365091999.db2.gz JIUYGHIIOAFENZ-LLVKDONJSA-N 2 0 237.303 0.448 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)CC1CC[NH2+]CC1 ZINC000574571246 365092657 /nfs/dbraw/zinc/09/26/57/365092657.db2.gz CFSLFDIGJWGFMF-SNVBAGLBSA-N 2 0 213.325 0.230 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000574569738 365092678 /nfs/dbraw/zinc/09/26/78/365092678.db2.gz ZGBXXBVUPLRRFE-LBPRGKRZSA-N 2 0 241.379 0.880 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000574622957 365103957 /nfs/dbraw/zinc/10/39/57/365103957.db2.gz GNRDNLAUOQWTBA-WDEREUQCSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000574635910 365107321 /nfs/dbraw/zinc/10/73/21/365107321.db2.gz XPXRYZUKLZYBAH-AXFHLTTASA-N 2 0 242.367 0.493 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000574634933 365107963 /nfs/dbraw/zinc/10/79/63/365107963.db2.gz HKDCFTAJCZMERQ-AEJSXWLSSA-N 2 0 230.356 0.395 20 0 BCADRP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000574756801 365136761 /nfs/dbraw/zinc/13/67/61/365136761.db2.gz DKMJSQUARCHKIL-AGIUHOORSA-N 3 0 223.364 0.670 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CC[NH2+]C1CC1 ZINC000574650937 365113778 /nfs/dbraw/zinc/11/37/78/365113778.db2.gz LNHLRXWQRKQJOJ-JTQLQIEISA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@]1(C(=O)N2CCC(C[NH3+])CC2)CC[NH2+]C1 ZINC000574689793 365121205 /nfs/dbraw/zinc/12/12/05/365121205.db2.gz YVHSUZWPWUIBRF-GFCCVEGCSA-N 2 0 225.336 0.183 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000574516887 365078986 /nfs/dbraw/zinc/07/89/86/365078986.db2.gz IHVXBHYKKABVFZ-SNVBAGLBSA-N 2 0 227.352 0.395 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H](C[NH3+])C(C)C ZINC000433123436 192984796 /nfs/dbraw/zinc/98/47/96/192984796.db2.gz UWYQBTQKVVOSGK-WDEREUQCSA-N 2 0 229.368 0.707 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH+](C)C ZINC000443391990 193018805 /nfs/dbraw/zinc/01/88/05/193018805.db2.gz XBLOMLSBERYDSB-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP CSC[C@@H](O)C[NH2+][C@H]1CCn2ccnc2C1 ZINC000574806082 365147440 /nfs/dbraw/zinc/14/74/40/365147440.db2.gz UPDSJDPHDWEDFL-UWVGGRQHSA-N 2 0 241.360 0.511 20 0 BCADRP CC[C@H](C(=O)NCC[NH+](C)C)[NH+](CC)CC ZINC000443386333 193019490 /nfs/dbraw/zinc/01/94/90/193019490.db2.gz IPJNWVALUHUYLE-LLVKDONJSA-N 2 0 229.368 0.785 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000575122306 365210743 /nfs/dbraw/zinc/21/07/43/365210743.db2.gz HJGOEWHYVPCDTA-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000575121822 365210748 /nfs/dbraw/zinc/21/07/48/365210748.db2.gz IRTYJMCEVKKRNJ-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000575122219 365210933 /nfs/dbraw/zinc/21/09/33/365210933.db2.gz CAFKCAZFDLEAEC-JFGNBEQYSA-N 2 0 227.352 0.557 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000659299181 541455433 /nfs/dbraw/zinc/45/54/33/541455433.db2.gz GEACWRRAANXGDN-JTQLQIEISA-N 2 0 237.347 0.468 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)c1c[nH+]ccc1N ZINC000444157304 193038897 /nfs/dbraw/zinc/03/88/97/193038897.db2.gz FDLSJJCNAHEMRG-VIFPVBQESA-N 2 0 236.319 0.741 20 0 BCADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444183516 193039493 /nfs/dbraw/zinc/03/94/93/193039493.db2.gz NNLWTDPFCFBRDT-SDDRHHMPSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444181119 193039794 /nfs/dbraw/zinc/03/97/94/193039794.db2.gz JFJVLWAKLUHNRC-GARJFASQSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]1CN(C)CCN1C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444179014 193040052 /nfs/dbraw/zinc/04/00/52/193040052.db2.gz CEOTZHNHRLMOPU-NQBHXWOUSA-N 2 0 237.347 0.149 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444165816 193040076 /nfs/dbraw/zinc/04/00/76/193040076.db2.gz IKELIHAHEFUSMB-VXGBXAGGSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444176210 193040256 /nfs/dbraw/zinc/04/02/56/193040256.db2.gz OEGPPWHQWAUFEB-AAEUAGOBSA-N 2 0 239.363 0.444 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444260751 193042382 /nfs/dbraw/zinc/04/23/82/193042382.db2.gz BQTWQQDKKRQDHH-ZYHUDNBSSA-N 2 0 227.352 0.762 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444260628 193042533 /nfs/dbraw/zinc/04/25/33/193042533.db2.gz SVIATWUEFQZOMC-MXWKQRLJSA-N 2 0 227.352 0.618 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NCC1([NH3+])CCC1 ZINC000444269466 193043309 /nfs/dbraw/zinc/04/33/09/193043309.db2.gz PVLQWVLNTYAQMG-UHFFFAOYSA-N 2 0 220.276 0.105 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000444261991 193044100 /nfs/dbraw/zinc/04/41/00/193044100.db2.gz HZMDUMYHZPNVBQ-QJPTWQEYSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000575315783 365286667 /nfs/dbraw/zinc/28/66/67/365286667.db2.gz DAFSTYYFCSQHKA-KOLCDFICSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000575399972 365308111 /nfs/dbraw/zinc/30/81/11/365308111.db2.gz DIZBRSHNRMZICM-WDEREUQCSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000575744810 365349166 /nfs/dbraw/zinc/34/91/66/365349166.db2.gz AFEOIPRJUHGUJP-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]CC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000575748621 365350942 /nfs/dbraw/zinc/35/09/42/365350942.db2.gz ONIPMZGTAKXKNI-SECBINFHSA-N 2 0 234.303 0.056 20 0 BCADRP C[C@]1(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000579572340 366880401 /nfs/dbraw/zinc/88/04/01/366880401.db2.gz ZYWJFUGUFAWQQB-GMXVVIOVSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H](CN1CCOCC1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000575923541 365415200 /nfs/dbraw/zinc/41/52/00/365415200.db2.gz VLZIKTJCOHZRKN-STQMWFEESA-N 2 0 241.379 0.378 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000575867266 365394698 /nfs/dbraw/zinc/39/46/98/365394698.db2.gz HIQBEJRPPFFVMN-MXWKQRLJSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000579590696 366894254 /nfs/dbraw/zinc/89/42/54/366894254.db2.gz AIKHOXFJRYSSQK-JTQLQIEISA-N 2 0 237.347 0.481 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000579594193 366897109 /nfs/dbraw/zinc/89/71/09/366897109.db2.gz DEUSJEOEXJAAGG-XWLWVQCSSA-N 2 0 225.336 0.357 20 0 BCADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000576099222 365482460 /nfs/dbraw/zinc/48/24/60/365482460.db2.gz LHVYSLIYAJAWSB-CSYMLDBXSA-N 2 0 228.336 0.506 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000576105609 365487149 /nfs/dbraw/zinc/48/71/49/365487149.db2.gz GSNBTLWHWKXLCN-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000576109048 365490134 /nfs/dbraw/zinc/49/01/34/365490134.db2.gz JRRPSNPJKBZOFP-CIUDSAMLSA-N 2 0 201.314 0.356 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)CCCC[NH3+])C1 ZINC000576110991 365491397 /nfs/dbraw/zinc/49/13/97/365491397.db2.gz GMBBQGMXLMPIPN-LLVKDONJSA-N 2 0 227.352 0.573 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](CO)C2CC2)C1 ZINC000576122056 365492403 /nfs/dbraw/zinc/49/24/03/365492403.db2.gz VFWUTJGNWXZDGX-TUAOUCFPSA-N 2 0 212.337 0.864 20 0 BCADRP [NH3+][C@H]1CCCCC[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000576146991 365500454 /nfs/dbraw/zinc/50/04/54/365500454.db2.gz VGHZRIXEJLUAPS-SRVKXCTJSA-N 2 0 211.353 0.988 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000576159323 365504433 /nfs/dbraw/zinc/50/44/33/365504433.db2.gz VJGCPCYKJQCCFQ-WPRPVWTQSA-N 2 0 213.325 0.038 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000579700885 366982845 /nfs/dbraw/zinc/98/28/45/366982845.db2.gz NENOVPVYNZXPGP-HBNTYKKESA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)CC[C@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000579699392 366982937 /nfs/dbraw/zinc/98/29/37/366982937.db2.gz HYLVJWRGOWNONL-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)[C@H](C)[NH3+] ZINC000579712379 366984367 /nfs/dbraw/zinc/98/43/67/366984367.db2.gz UDXRMGZNBMVBEK-VHSXEESVSA-N 2 0 239.363 0.713 20 0 BCADRP C[NH2+]CCCN(C)CCOC[C@H]1CCCO1 ZINC000579818108 367021544 /nfs/dbraw/zinc/02/15/44/367021544.db2.gz LPLSHQOTXXKHJY-GFCCVEGCSA-N 2 0 230.352 0.723 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CCCC[NH3+] ZINC000579839711 367042434 /nfs/dbraw/zinc/04/24/34/367042434.db2.gz PAKBFDWDKVIULL-SCVCMEIPSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CC[NH2+]C1 ZINC000579980079 367115688 /nfs/dbraw/zinc/11/56/88/367115688.db2.gz JVGRYIPGKBCMHC-ZJUUUORDSA-N 2 0 228.340 0.165 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000579934924 367090119 /nfs/dbraw/zinc/09/01/19/367090119.db2.gz HJIIMCOCZJPTLV-JBLDHEPKSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CC[NH2+]C1CC1 ZINC000579972290 367098913 /nfs/dbraw/zinc/09/89/13/367098913.db2.gz SMDIEHVSACEYBC-ZJUUUORDSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000579961774 367103493 /nfs/dbraw/zinc/10/34/93/367103493.db2.gz QOGJVHSMZZBNGD-DTWKUNHWSA-N 2 0 247.289 0.322 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000579961773 367105153 /nfs/dbraw/zinc/10/51/53/367105153.db2.gz QOGJVHSMZZBNGD-BDAKNGLRSA-N 2 0 247.289 0.322 20 0 BCADRP CC1(NC(=O)C[NH2+]CC2CC2)CC[NH2+]CC1 ZINC000193395513 367174267 /nfs/dbraw/zinc/17/42/67/367174267.db2.gz IYQQEIUMEIQMLZ-UHFFFAOYSA-N 2 0 225.336 0.244 20 0 BCADRP CC[NH2+]CCCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000580823074 367176936 /nfs/dbraw/zinc/17/69/36/367176936.db2.gz FEBQJUNDBKNXOG-SNVBAGLBSA-N 2 0 230.356 0.269 20 0 BCADRP [NH3+][C@H]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000580828391 367177984 /nfs/dbraw/zinc/17/79/84/367177984.db2.gz NPRAKCXFCXYDQK-DCAQKATOSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000580714887 367149148 /nfs/dbraw/zinc/14/91/48/367149148.db2.gz MYUFUGNSSIQYKX-OLZOCXBDSA-N 2 0 241.379 0.296 20 0 BCADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000580714885 367149562 /nfs/dbraw/zinc/14/95/62/367149562.db2.gz MYUFUGNSSIQYKX-CHWSQXEVSA-N 2 0 241.379 0.296 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000193170880 367154809 /nfs/dbraw/zinc/15/48/09/367154809.db2.gz FIGXVPTXGUOFNG-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1OCC[N@H+](CCN2CC[NH2+]CC2)[C@H]1C ZINC000380493565 367221930 /nfs/dbraw/zinc/22/19/30/367221930.db2.gz BLWRMANSKIUWDX-RYUDHWBXSA-N 2 0 227.352 0.001 20 0 BCADRP [NH3+]CCCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000580891808 367198765 /nfs/dbraw/zinc/19/87/65/367198765.db2.gz HJUMTMAEVSMFJP-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)CC[C@@H]1[NH3+] ZINC000580891973 367199152 /nfs/dbraw/zinc/19/91/52/367199152.db2.gz VDSYBHCJLMUEEQ-DVVUODLYSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NC[C@H]([NH3+])C2CC2)CC[NH2+]1 ZINC000581130702 367271762 /nfs/dbraw/zinc/27/17/62/367271762.db2.gz TZFFOLDLOWSNHJ-LSJOCFKGSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+]CC[C@H](NC(=O)C1([NH3+])CCC1)C(F)(F)F ZINC000581311464 367339910 /nfs/dbraw/zinc/33/99/10/367339910.db2.gz KQMPEZQPVNHZPT-LURJTMIESA-N 2 0 239.241 0.264 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000381040859 367340832 /nfs/dbraw/zinc/34/08/32/367340832.db2.gz CEGTYUWTQZBBGP-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000581320630 367345433 /nfs/dbraw/zinc/34/54/33/367345433.db2.gz JOYSFFAKNLOPDA-QWRGUYRKSA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+]C1CC1 ZINC000581180490 367285438 /nfs/dbraw/zinc/28/54/38/367285438.db2.gz PAJIJDMLELTJIJ-GXSJLCMTSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000581252479 367310080 /nfs/dbraw/zinc/31/00/80/367310080.db2.gz USFLCQXCXFXLOI-LPEHRKFASA-N 2 0 227.352 0.556 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000581252480 367310916 /nfs/dbraw/zinc/31/09/16/367310916.db2.gz USFLCQXCXFXLOI-OPRDCNLKSA-N 2 0 227.352 0.556 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC1(C)CC[NH2+]CC1 ZINC000381374483 367390208 /nfs/dbraw/zinc/39/02/08/367390208.db2.gz IMDZLMOHEAZPTN-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000381417063 367397731 /nfs/dbraw/zinc/39/77/31/367397731.db2.gz VBQALCPADZHATO-JEZHCXPESA-N 2 0 213.325 0.213 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000381420453 367399430 /nfs/dbraw/zinc/39/94/30/367399430.db2.gz VQZRMJSSEASNDL-UWVGGRQHSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H](NC(=O)CCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000381426206 367400900 /nfs/dbraw/zinc/40/09/00/367400900.db2.gz YVYMJTACBKEZIV-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@H](COC)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000381215502 367365094 /nfs/dbraw/zinc/36/50/94/367365094.db2.gz FTKLRXANHPHARI-ZYHUDNBSSA-N 2 0 230.352 0.456 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000581437605 367471560 /nfs/dbraw/zinc/47/15/60/367471560.db2.gz QSGIBFVJUHATSM-UPJWGTAASA-N 2 0 243.395 0.323 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000381712138 367450787 /nfs/dbraw/zinc/45/07/87/367450787.db2.gz KLHWWMNGHHVGFE-MWLCHTKSSA-N 2 0 213.325 0.324 20 0 BCADRP C[NH+](C)C/C=C\C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000381767366 367455321 /nfs/dbraw/zinc/45/53/21/367455321.db2.gz VLBBXNFOQOBUKZ-WAYWQWQTSA-N 2 0 225.336 0.315 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000381785018 367458444 /nfs/dbraw/zinc/45/84/44/367458444.db2.gz YQELTNROUAZZPB-UTLUCORTSA-N 2 0 213.325 0.310 20 0 BCADRP C[NH2+]CCCC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000381798350 367459570 /nfs/dbraw/zinc/45/95/70/367459570.db2.gz CJMKILVWFBRBMA-SNVBAGLBSA-N 2 0 213.325 0.244 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000381845152 367461953 /nfs/dbraw/zinc/46/19/53/367461953.db2.gz RKHWYYRTSXKBOL-VHSXEESVSA-N 2 0 213.325 0.100 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000382555818 367538627 /nfs/dbraw/zinc/53/86/27/367538627.db2.gz JOPWTJZSYKEBCR-OUAUKWLOSA-N 2 0 216.325 0.243 20 0 BCADRP COC[C@@](C)(O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000382569206 367542531 /nfs/dbraw/zinc/54/25/31/367542531.db2.gz QAEOBKLILLAUQV-ZDUSSCGKSA-N 2 0 244.379 0.846 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CC(O)C1 ZINC000382843510 367563545 /nfs/dbraw/zinc/56/35/45/367563545.db2.gz XTKWUJGTMDXBIP-HBIQZDMRSA-N 2 0 212.337 0.687 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000581488185 367518697 /nfs/dbraw/zinc/51/86/97/367518697.db2.gz SYGFDVMBQICIOZ-XPUUQOCRSA-N 2 0 235.278 0.226 20 0 BCADRP C[NH2+]CCCC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000581549387 367579001 /nfs/dbraw/zinc/57/90/01/367579001.db2.gz OLIZMXHMYILURA-LLVKDONJSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000382979685 367580581 /nfs/dbraw/zinc/58/05/81/367580581.db2.gz UBBALRASEQVEPK-VHSXEESVSA-N 2 0 227.352 0.583 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCCCC[NH+](C)C ZINC000382986614 367581802 /nfs/dbraw/zinc/58/18/02/367581802.db2.gz WFVAMEYQTFPQMN-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000581606774 367630621 /nfs/dbraw/zinc/63/06/21/367630621.db2.gz HZCOIIQNDBMWFX-MXWKQRLJSA-N 2 0 227.352 0.476 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)CC1(C[NH3+])CC1 ZINC000565831611 325962312 /nfs/dbraw/zinc/96/23/12/325962312.db2.gz AYVRRZNKFNPHCD-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP COCCN(C)C[C@@H](O)C[N@H+](C)CCC1CC1 ZINC000383762088 367651866 /nfs/dbraw/zinc/65/18/66/367651866.db2.gz LRWZIPXKUKZHKD-ZDUSSCGKSA-N 2 0 244.379 0.657 20 0 BCADRP CC[C@H](C)C[N@H+](C)C[C@@H](O)CN(C)CCOC ZINC000384040520 367669259 /nfs/dbraw/zinc/66/92/59/367669259.db2.gz UZUPOSRVOHVWHP-STQMWFEESA-N 2 0 246.395 0.903 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CC[NH2+]1 ZINC000384780207 367731601 /nfs/dbraw/zinc/73/16/01/367731601.db2.gz KPTYIEANAMOOAU-SECBINFHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[NH2+]1)C[NH+]1CCCC1 ZINC000384798978 367733749 /nfs/dbraw/zinc/73/37/49/367733749.db2.gz CDLHCGAKIFNCFT-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000384798452 367734357 /nfs/dbraw/zinc/73/43/57/367734357.db2.gz BRLXGLNEDZBYAW-WDEREUQCSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)[C@@H](C)O1 ZINC000384921513 367757696 /nfs/dbraw/zinc/75/76/96/367757696.db2.gz RHACSUKTWJJDFC-NDBYEHHHSA-N 2 0 242.363 0.599 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H](C)O1 ZINC000384961210 367765186 /nfs/dbraw/zinc/76/51/86/367765186.db2.gz SEGPEPQCIZIWOF-GRYCIOLGSA-N 2 0 230.352 0.720 20 0 BCADRP C[NH+](C)CCN(C(=O)C[NH2+]C1CC1)C1CC1 ZINC000566196493 326010442 /nfs/dbraw/zinc/01/04/42/326010442.db2.gz LWVQCUGRXGZYSX-UHFFFAOYSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000566204645 326012307 /nfs/dbraw/zinc/01/23/07/326012307.db2.gz XXDMOEGGONZVDU-GMTAPVOTSA-N 2 0 225.336 0.100 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)C[NH2+]CC1CC1 ZINC000566184461 326008074 /nfs/dbraw/zinc/00/80/74/326008074.db2.gz FMPXKILULXZRKR-UHFFFAOYSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@H]1CN(C(=O)CC2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000153780600 367909466 /nfs/dbraw/zinc/90/94/66/367909466.db2.gz ACVIOBNFJHPNPA-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)NCCc2ncc[nH]2)C1 ZINC000386114267 367914114 /nfs/dbraw/zinc/91/41/14/367914114.db2.gz BFYPLZUPDBNANV-SECBINFHSA-N 2 0 222.292 0.020 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)NCCc2ncc[nH]2)C1 ZINC000386114268 367914166 /nfs/dbraw/zinc/91/41/66/367914166.db2.gz BFYPLZUPDBNANV-VIFPVBQESA-N 2 0 222.292 0.020 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000581933579 367960325 /nfs/dbraw/zinc/96/03/25/367960325.db2.gz JXGZBASCPDRHDA-NSHDSACASA-N 2 0 244.383 0.657 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000441623563 201560304 /nfs/dbraw/zinc/56/03/04/201560304.db2.gz IADMRQLDLUTYBY-GRYCIOLGSA-N 2 0 241.379 0.995 20 0 BCADRP C[C@@H](O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000386891217 368030954 /nfs/dbraw/zinc/03/09/54/368030954.db2.gz KFSJDJQZKRXYSL-JQYRIEHKSA-N 2 0 212.337 0.971 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442614256 201575776 /nfs/dbraw/zinc/57/57/76/201575776.db2.gz GNWZCTGPJZNORU-GFCCVEGCSA-N 2 0 241.379 0.916 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)CC1CC[NH2+]CC1)C(F)F ZINC000566972853 326098208 /nfs/dbraw/zinc/09/82/08/326098208.db2.gz BNQCNEMPVSNFFM-SECBINFHSA-N 2 0 249.305 0.475 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000062975300 368578434 /nfs/dbraw/zinc/57/84/34/368578434.db2.gz GIFAIZKFBJUNMV-AXFHLTTASA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC(C)(C)C[NH+](C)C ZINC000457243858 203026424 /nfs/dbraw/zinc/02/64/24/203026424.db2.gz QFAYUCDZIDZHJW-WDEREUQCSA-N 2 0 241.379 0.641 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000567236950 326148273 /nfs/dbraw/zinc/14/82/73/326148273.db2.gz VRLUMOFYYODWMO-WZRBSPASSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)C(=O)NCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086402286 368880046 /nfs/dbraw/zinc/88/00/46/368880046.db2.gz JGWFZNCBHXXDBG-QWRGUYRKSA-N 2 0 227.352 0.618 20 0 BCADRP CCOC(=O)C[N@H+](CC)CC1CC[NH2+]CC1 ZINC000086703187 368883604 /nfs/dbraw/zinc/88/36/04/368883604.db2.gz SPMQOOVBCXGMFX-UHFFFAOYSA-N 2 0 228.336 0.871 20 0 BCADRP C[N@@H+](Cc1cnc[nH]1)CC1CC[NH2+]CC1 ZINC000086702671 368883705 /nfs/dbraw/zinc/88/37/05/368883705.db2.gz URMGRZUMMVXNJH-UHFFFAOYSA-N 2 0 208.309 0.841 20 0 BCADRP O[C@H](C[NH2+]CC1(O)CCCC1)C[NH+]1CCCC1 ZINC000087028961 368887992 /nfs/dbraw/zinc/88/79/92/368887992.db2.gz CYCOPGUJKRPPNP-GFCCVEGCSA-N 2 0 242.363 0.338 20 0 BCADRP [NH3+]CCCCNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000087618518 368895510 /nfs/dbraw/zinc/89/55/10/368895510.db2.gz POGGWTMKNSBCSF-CYBMUJFWSA-N 2 0 247.342 0.729 20 0 BCADRP CC[NH2+]CC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000113655988 368900277 /nfs/dbraw/zinc/90/02/77/368900277.db2.gz FHAJTZJHPPXXNL-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP c1nc2n(n1)[C@@H](C[N@@H+]1CC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC000631823434 368982143 /nfs/dbraw/zinc/98/21/43/368982143.db2.gz DNKUOXFUICSKDO-DGCLKSJQSA-N 2 0 247.346 0.451 20 0 BCADRP c1nc2n(n1)[C@@H](C[N@@H+]1CC[C@]3(CC[NH2+]C3)C1)CC2 ZINC000631823436 368982462 /nfs/dbraw/zinc/98/24/62/368982462.db2.gz DNKUOXFUICSKDO-YPMHNXCESA-N 2 0 247.346 0.451 20 0 BCADRP CN(C)C(=O)CN1CCCCC[C@@H]([NH3+])C1 ZINC000631834704 369034045 /nfs/dbraw/zinc/03/40/45/369034045.db2.gz DFYGXMSKTCUGFN-SNVBAGLBSA-N 2 0 213.325 0.278 20 0 BCADRP CCNC(=O)CN1CCCCC[C@@H]([NH3+])C1 ZINC000631834975 369037132 /nfs/dbraw/zinc/03/71/32/369037132.db2.gz JNWHTOPQCVOGKA-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)CC1(C)C ZINC000623661096 369070259 /nfs/dbraw/zinc/07/02/59/369070259.db2.gz ICWCUAFMMUZGLR-GMTAPVOTSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000631837961 369108102 /nfs/dbraw/zinc/10/81/02/369108102.db2.gz HQUPWYBXXMZMDQ-FRRDWIJNSA-N 3 0 225.380 0.903 20 0 BCADRP CC(C)[C@H](C(=O)NCC1=CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000567463313 326197702 /nfs/dbraw/zinc/19/77/02/326197702.db2.gz YTUCNTMLYGDZDO-JQWIXIFHSA-N 2 0 239.363 0.642 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000156172179 326221484 /nfs/dbraw/zinc/22/14/84/326221484.db2.gz COHZOHIZHCXMBH-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000631840879 369311294 /nfs/dbraw/zinc/31/12/94/369311294.db2.gz VSCOAATYTSFOGK-JHJVBQTASA-N 2 0 242.363 0.709 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000567811465 326261039 /nfs/dbraw/zinc/26/10/39/326261039.db2.gz KBDAGBKDFCGCTG-JTQLQIEISA-N 2 0 227.352 0.633 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000567847294 326269372 /nfs/dbraw/zinc/26/93/72/326269372.db2.gz HAKQXFMNDQYCON-NHCYSSNCSA-N 2 0 227.352 0.748 20 0 BCADRP CO[C@H](C[NH3+])Cc1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000567852611 326271227 /nfs/dbraw/zinc/27/12/27/326271227.db2.gz YAXYTYNFVOHQCQ-IUCAKERBSA-N 2 0 242.323 0.632 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)C2([NH3+])CCC2)C1 ZINC000567837231 326266925 /nfs/dbraw/zinc/26/69/25/326266925.db2.gz CGQNDMZBDBPDTL-JTQLQIEISA-N 2 0 211.309 0.065 20 0 BCADRP C[N@H+](C[C@@H](O)CN1C[C@@H]2C[C@H]1CS2)C1CC1 ZINC000459789790 203369380 /nfs/dbraw/zinc/36/93/80/203369380.db2.gz FYILTHBEPJLBJV-TUAOUCFPSA-N 2 0 242.388 0.631 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)CC1CC[NH2+]CC1 ZINC000567925865 326283714 /nfs/dbraw/zinc/28/37/14/326283714.db2.gz WQNQGUPJTZCJRX-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000567925539 326284077 /nfs/dbraw/zinc/28/40/77/326284077.db2.gz OASMBNLCYJVDEP-XKNYDFJKSA-N 2 0 215.341 0.602 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000514252343 369712075 /nfs/dbraw/zinc/71/20/75/369712075.db2.gz BUFWUJYCDMQNBG-VIFPVBQESA-N 2 0 225.336 0.324 20 0 BCADRP CN1CCN(C(=O)NCC2(C)CC2)[C@H](C[NH3+])C1 ZINC000568058604 326301626 /nfs/dbraw/zinc/30/16/26/326301626.db2.gz LNIYOIIGKZCZQB-SNVBAGLBSA-N 2 0 240.351 0.071 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH3+])[C@@H](C)C1 ZINC000252671481 370109792 /nfs/dbraw/zinc/10/97/92/370109792.db2.gz VXAYLOZXHBEMTR-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP CC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H](C)[NH2+]1 ZINC000620903366 370051229 /nfs/dbraw/zinc/05/12/29/370051229.db2.gz ONIPFSMHVKDSDP-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP Cn1nccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252838334 370135548 /nfs/dbraw/zinc/13/55/48/370135548.db2.gz AGTMVVWLCPGSMR-WCFLWFBJSA-N 2 0 234.347 0.979 20 0 BCADRP Cn1cncc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252881484 370137900 /nfs/dbraw/zinc/13/79/00/370137900.db2.gz YTGAIPBPUWUIBE-WCFLWFBJSA-N 2 0 234.347 0.979 20 0 BCADRP C[C@H]1CN(C(=O)CCCC[NH3+])[C@@H](C)C[NH2+]1 ZINC000309760653 370255376 /nfs/dbraw/zinc/25/53/76/370255376.db2.gz IPQBNYLMVMUKTF-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000309799323 370261921 /nfs/dbraw/zinc/26/19/21/370261921.db2.gz QWANJNYXEBMRCX-BBBLOLIVSA-N 2 0 213.325 0.310 20 0 BCADRP CO[C@@H](C[NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000568254147 326335573 /nfs/dbraw/zinc/33/55/73/326335573.db2.gz KHEVVDXNTALQSP-JTQLQIEISA-N 2 0 223.276 0.058 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@H]2CN(C)C[C@@H]2C)C1 ZINC000621387795 370330460 /nfs/dbraw/zinc/33/04/60/370330460.db2.gz OTHQWGIYCNVBKH-WCQGTBRESA-N 2 0 225.336 0.147 20 0 BCADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[NH2+]1)C2 ZINC000621685345 370435538 /nfs/dbraw/zinc/43/55/38/370435538.db2.gz CUGGFKHRARXNLR-DMDPSCGWSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C[C@H]1CC[NH2+]C1)C2 ZINC000621679725 370429058 /nfs/dbraw/zinc/42/90/58/370429058.db2.gz SSXKAHZAPFIOHR-NQBHXWOUSA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C[C@H]1CC[NH2+]C1)C2 ZINC000621679727 370429440 /nfs/dbraw/zinc/42/94/40/370429440.db2.gz SSXKAHZAPFIOHR-WZRBSPASSA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CC[NH2+]C1CC1)C2 ZINC000621681829 370430571 /nfs/dbraw/zinc/43/05/71/370430571.db2.gz XDXMYMCQPLKSBY-ZWNOBZJWSA-N 2 0 237.347 0.468 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621682723 370431454 /nfs/dbraw/zinc/43/14/54/370431454.db2.gz JZNPBRUNUKKDQN-OPQQBVKSSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+]C1(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000621683513 370432816 /nfs/dbraw/zinc/43/28/16/370432816.db2.gz XDZMARXFFRHJQB-BXKDBHETSA-N 2 0 223.320 0.208 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684201 370433657 /nfs/dbraw/zinc/43/36/57/370433657.db2.gz IVFNQPXAUULCSQ-JOYOIKCWSA-N 2 0 225.336 0.311 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1CCCC[NH2+]1)C2 ZINC000621683865 370433982 /nfs/dbraw/zinc/43/39/82/370433982.db2.gz CUGGFKHRARXNLR-MDZLAQPJSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC(C)(C)CC[NH3+] ZINC000568271938 326338888 /nfs/dbraw/zinc/33/88/88/326338888.db2.gz KKFSISFRZXGZMU-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621685122 370434904 /nfs/dbraw/zinc/43/49/04/370434904.db2.gz ZBHZMNIVLOFMNR-NGZCFLSTSA-N 2 0 211.309 0.064 20 0 BCADRP [NH3+]C1(CC(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000621684909 370434983 /nfs/dbraw/zinc/43/49/83/370434983.db2.gz VLDMQEXITMBGEZ-GXFFZTMASA-N 2 0 237.347 0.598 20 0 BCADRP C[C@H](C[NH3+])NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621653708 370413996 /nfs/dbraw/zinc/41/39/96/370413996.db2.gz FGFFYYBFGHBRJE-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621665204 370418442 /nfs/dbraw/zinc/41/84/42/370418442.db2.gz UCCRHYGMTBSASH-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000621704520 370452197 /nfs/dbraw/zinc/45/21/97/370452197.db2.gz XDPGKSCATDOOMB-YUMQZZPRSA-N 2 0 235.278 0.085 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621690155 370438778 /nfs/dbraw/zinc/43/87/78/370438778.db2.gz QFQRTKJRZCUBLI-WCQYABFASA-N 2 0 239.363 0.668 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000568372091 326350583 /nfs/dbraw/zinc/35/05/83/326350583.db2.gz HZHUSHNFAZYPGB-NSHDSACASA-N 2 0 242.367 0.317 20 0 BCADRP CCn1nccc1CCN(C)[C@H](C)C[NH3+] ZINC000621773824 370518590 /nfs/dbraw/zinc/51/85/90/370518590.db2.gz CODQAFYIANVCGB-SNVBAGLBSA-N 2 0 210.325 0.725 20 0 BCADRP CCn1cc(CCN2CC3CC2(C[NH3+])C3)cn1 ZINC000621776654 370525915 /nfs/dbraw/zinc/52/59/15/370525915.db2.gz RLTYHADZQIBSIH-UHFFFAOYSA-N 2 0 234.347 0.869 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C[C@@H]1CC[NH2+]C1)C2 ZINC000621778697 370527770 /nfs/dbraw/zinc/52/77/70/370527770.db2.gz UECBRQRDBPBDOR-UTUOFQBUSA-N 2 0 209.337 0.409 20 0 BCADRP CC(C)[C@H]1CN(C[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000631880002 370615873 /nfs/dbraw/zinc/61/58/73/370615873.db2.gz KVOJENOZTHFNNP-QWHCGFSZSA-N 2 0 241.379 0.247 20 0 BCADRP C[NH+](C)CCN(C(=O)C[NH2+]CC1CC1)C1CC1 ZINC000568627950 326368485 /nfs/dbraw/zinc/36/84/85/326368485.db2.gz GLMNQDAGLAOKFU-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP Cn1nccc1CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889890 370997727 /nfs/dbraw/zinc/99/77/27/370997727.db2.gz KQTXETFKQIBKKE-DGCLKSJQSA-N 2 0 234.347 0.994 20 0 BCADRP Cn1nccc1CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889887 370997744 /nfs/dbraw/zinc/99/77/44/370997744.db2.gz KQTXETFKQIBKKE-AAEUAGOBSA-N 2 0 234.347 0.994 20 0 BCADRP O=C(CC[NH2+]C1CC1)NC[C@@H]1CCC[NH2+]C1 ZINC000568901052 326382309 /nfs/dbraw/zinc/38/23/09/326382309.db2.gz KWFXGXIUYAHVCS-SNVBAGLBSA-N 2 0 225.336 0.244 20 0 BCADRP COC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000568975948 326384282 /nfs/dbraw/zinc/38/42/82/326384282.db2.gz MUCIAFAOESZWBV-CHWSQXEVSA-N 2 0 244.379 0.705 20 0 BCADRP O[C@H]1CCN(CC[NH2+]Cc2ccc(F)cc2)C1 ZINC000623836106 371120223 /nfs/dbraw/zinc/12/02/23/371120223.db2.gz LKMSXQWUEXPCPX-ZDUSSCGKSA-N 2 0 238.306 0.982 20 0 BCADRP C[C@@H](C(=O)N(CC[NH+](C)C)C1CC1)[C@H](C)[NH3+] ZINC000568879363 326380852 /nfs/dbraw/zinc/38/08/52/326380852.db2.gz XOIOFOHYCSBEKW-ZJUUUORDSA-N 2 0 227.352 0.522 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@H]2CCC[NH2+]C2)co1 ZINC000569240196 326397210 /nfs/dbraw/zinc/39/72/10/326397210.db2.gz NOICPZFPVVRTFS-VIFPVBQESA-N 2 0 223.276 0.220 20 0 BCADRP C[C@@]1(C(=O)N2CCC([NH3+])CC2)CCC[NH2+]1 ZINC000390483621 371206419 /nfs/dbraw/zinc/20/64/19/371206419.db2.gz NTTRIERUNVZIHO-NSHDSACASA-N 2 0 211.309 0.078 20 0 BCADRP C[NH2+]CCCN(C)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000124623297 371207558 /nfs/dbraw/zinc/20/75/58/371207558.db2.gz DCIAUIXSKALDAK-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC1([NH3+])CCC1 ZINC000390504245 371208858 /nfs/dbraw/zinc/20/88/58/371208858.db2.gz WGNIENZOXPURDG-UHFFFAOYSA-N 2 0 213.325 0.372 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000366493840 181580642 /nfs/dbraw/zinc/58/06/42/181580642.db2.gz BBKJLRRKSCWXCI-YFKTTZPYSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000309563979 181586797 /nfs/dbraw/zinc/58/67/97/181586797.db2.gz PWFGQDOMRKJXCZ-ZJUUUORDSA-N 2 0 211.309 0.078 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)[C@@H](C)C1 ZINC000624130520 371331507 /nfs/dbraw/zinc/33/15/07/371331507.db2.gz PYFFDJVBLFUJSZ-FIQHERPVSA-N 2 0 239.363 0.570 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)[C@H](C)C1 ZINC000624130521 371331652 /nfs/dbraw/zinc/33/16/52/371331652.db2.gz PYFFDJVBLFUJSZ-KKOKHZNYSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000572840509 326414260 /nfs/dbraw/zinc/41/42/60/326414260.db2.gz AUWHNNJOIHSLGX-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[C@H](NCC[NH+]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000624228536 371416425 /nfs/dbraw/zinc/41/64/25/371416425.db2.gz VDJHLJIOBJBOQB-JHJVBQTASA-N 2 0 241.379 0.125 20 0 BCADRP CCO[C@@H]1COC[C@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000572900248 326418024 /nfs/dbraw/zinc/41/80/24/326418024.db2.gz ZXXCNHRWYPJQGV-DDHJBXDOSA-N 2 0 228.336 0.650 20 0 BCADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]21 ZINC000627650984 371810190 /nfs/dbraw/zinc/81/01/90/371810190.db2.gz ZJABJFPMCSKLPQ-WHOHXGKFSA-N 2 0 237.347 0.099 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]([NH3+])CCSC ZINC000163637217 372022534 /nfs/dbraw/zinc/02/25/34/372022534.db2.gz YAEVCYQJABMYNV-SECBINFHSA-N 2 0 233.381 0.135 20 0 BCADRP CC[N@H+](CCNC(=O)C[NH+](C)C)C1CC1 ZINC000171198612 372459175 /nfs/dbraw/zinc/45/91/75/372459175.db2.gz JIPAYDPWWASUAU-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP C[N@H+](CCC[NH3+])C[C@@H]1CCc2ncnn21 ZINC000631821527 372595652 /nfs/dbraw/zinc/59/56/52/372595652.db2.gz AKICVVQOLZEUMH-VIFPVBQESA-N 2 0 209.297 0.046 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000631821472 372595833 /nfs/dbraw/zinc/59/58/33/372595833.db2.gz ZCVXRUZGHXJQKZ-ZYHUDNBSSA-N 2 0 249.362 0.825 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631822251 372599456 /nfs/dbraw/zinc/59/94/56/372599456.db2.gz XVXBTSSXZSFDLC-SRVKXCTJSA-N 2 0 249.362 0.825 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC000631829096 372610519 /nfs/dbraw/zinc/61/05/19/372610519.db2.gz GVYKMTSXKAULKC-GMTAPVOTSA-N 2 0 235.335 0.625 20 0 BCADRP C[C@H]1OCC[C@H]1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000631829485 372611501 /nfs/dbraw/zinc/61/15/01/372611501.db2.gz RIMYQELMCDSSKB-MNOVXSKESA-N 2 0 228.336 0.116 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC000631829097 372611554 /nfs/dbraw/zinc/61/15/54/372611554.db2.gz GVYKMTSXKAULKC-HBNTYKKESA-N 2 0 235.335 0.625 20 0 BCADRP C[C@H]1OCC[C@@H]1C[N@H+](C)CCOCC[NH3+] ZINC000631830038 372613442 /nfs/dbraw/zinc/61/34/42/372613442.db2.gz HWNIDJOIWQNUKJ-GHMZBOCLSA-N 2 0 216.325 0.319 20 0 BCADRP [NH3+][C@@H]1CCCCCN(CCN2CCOCC2)C1 ZINC000631833919 372617554 /nfs/dbraw/zinc/61/75/54/372617554.db2.gz LMGOJPRNGWNXKP-CYBMUJFWSA-N 2 0 241.379 0.522 20 0 BCADRP CN(C(=O)CN1CCCCC[C@H]([NH3+])C1)C1CC1 ZINC000631834011 372617639 /nfs/dbraw/zinc/61/76/39/372617639.db2.gz NFFXLIMDNDSHOH-NSHDSACASA-N 2 0 239.363 0.811 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CCCCC[C@H]([NH3+])C1 ZINC000631834862 372621033 /nfs/dbraw/zinc/62/10/33/372621033.db2.gz HHUYDRUSFUSQFW-RYUDHWBXSA-N 2 0 229.368 0.160 20 0 BCADRP C[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1C[NH3+] ZINC000631839707 372635650 /nfs/dbraw/zinc/63/56/50/372635650.db2.gz JTWNXBQRIPXPCI-ZYHUDNBSSA-N 2 0 212.337 0.940 20 0 BCADRP CCCCNC(=O)CC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840574 372636151 /nfs/dbraw/zinc/63/61/51/372636151.db2.gz UEILAJSBHOSYCK-VXGBXAGGSA-N 2 0 241.379 0.819 20 0 BCADRP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842043 372640589 /nfs/dbraw/zinc/64/05/89/372640589.db2.gz ULAVNPLSXFVPDJ-GRYCIOLGSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842216 372641855 /nfs/dbraw/zinc/64/18/55/372641855.db2.gz XANZPIANVOTJNS-OUAUKWLOSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@@H]1OCC[C@H]1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000631825861 372603948 /nfs/dbraw/zinc/60/39/48/372603948.db2.gz XKGBHIXTPOEVAX-FIQHERPVSA-N 2 0 210.321 0.563 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)CC[C@H]1[NH3+] ZINC000631824780 372604215 /nfs/dbraw/zinc/60/42/15/372604215.db2.gz QBDXSEYSPHXPBL-IJLUTSLNSA-N 2 0 249.362 0.825 20 0 BCADRP C[C@H]1OCC[C@@H]1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631861699 372663666 /nfs/dbraw/zinc/66/36/66/372663666.db2.gz HFGUZXLZRVJTRP-VXGBXAGGSA-N 2 0 242.363 0.458 20 0 BCADRP COCC[C@@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863859 372666981 /nfs/dbraw/zinc/66/69/81/372666981.db2.gz DNZSCLCYNXIPGH-LLVKDONJSA-N 2 0 230.352 0.458 20 0 BCADRP C[NH2+]CCCN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888895 372685310 /nfs/dbraw/zinc/68/53/10/372685310.db2.gz CVYPCLUKERFNPX-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP COC[C@H](C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)OC ZINC000631890550 372687214 /nfs/dbraw/zinc/68/72/14/372687214.db2.gz QHFOHYLJZYIZOE-FRRDWIJNSA-N 2 0 242.363 0.722 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC2)CC[N@@H+]1C ZINC000632060120 372742153 /nfs/dbraw/zinc/74/21/53/372742153.db2.gz CHMMIBSMJNFKLC-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368370665 182017346 /nfs/dbraw/zinc/01/73/46/182017346.db2.gz QTIPFCWVUWHSJM-SDDRHHMPSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)NCC[NH+]1CCCCC1 ZINC000049575444 182017414 /nfs/dbraw/zinc/01/74/14/182017414.db2.gz OXPXRBKFHDOVPG-LBPRGKRZSA-N 2 0 239.363 0.731 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)NCCC[NH+]1CCCC1 ZINC000042165954 182018088 /nfs/dbraw/zinc/01/80/88/182018088.db2.gz NXBLFLRSDDMGEQ-LBPRGKRZSA-N 2 0 239.363 0.731 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]CC1)N[C@@H]1CC[NH2+]C1 ZINC000336582680 182028296 /nfs/dbraw/zinc/02/82/96/182028296.db2.gz BGOYNRKTOLJDRM-WDEREUQCSA-N 2 0 225.336 0.244 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]CC1)N[C@H]1CC[NH2+]C1 ZINC000336582679 182028739 /nfs/dbraw/zinc/02/87/39/182028739.db2.gz BGOYNRKTOLJDRM-QWRGUYRKSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632860673 373195360 /nfs/dbraw/zinc/19/53/60/373195360.db2.gz IQRYDQZQDBIQJA-SDDRHHMPSA-N 2 0 239.363 0.442 20 0 BCADRP [NH3+]CCC(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000632868364 373198874 /nfs/dbraw/zinc/19/88/74/373198874.db2.gz INDIBROXIHOVOS-SNVBAGLBSA-N 2 0 233.315 0.499 20 0 BCADRP [NH3+]C[C@H]1Cc2ccccc2N(C(=O)C2([NH3+])CC2)C1 ZINC000632869569 373200158 /nfs/dbraw/zinc/20/01/58/373200158.db2.gz QZGJTZWTKNVLTG-SNVBAGLBSA-N 2 0 245.326 0.642 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000632869326 373200298 /nfs/dbraw/zinc/20/02/98/373200298.db2.gz JHRGIMIDMYMRHD-WDEREUQCSA-N 2 0 247.342 0.759 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000449611043 205495091 /nfs/dbraw/zinc/49/50/91/205495091.db2.gz UAHJLHVIMNUKLO-UWVGGRQHSA-N 2 0 229.368 0.864 20 0 BCADRP O=C(NCCC[NH+]1CCCC1)[C@@]1(F)CC[NH2+]C1 ZINC000366331045 182166816 /nfs/dbraw/zinc/16/68/16/182166816.db2.gz SVQUSRVGRIOHOH-GFCCVEGCSA-N 2 0 243.326 0.290 20 0 BCADRP O=C(NCCC[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000036984167 182166872 /nfs/dbraw/zinc/16/68/72/182166872.db2.gz GSLLGZWHEQDPBP-LLVKDONJSA-N 2 0 225.336 0.341 20 0 BCADRP O=C(NCCC[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000037467344 182167588 /nfs/dbraw/zinc/16/75/88/182167588.db2.gz AISJGINZQMDXDI-GFCCVEGCSA-N 2 0 239.363 0.588 20 0 BCADRP O=C(NCCC[NH+]1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000062112683 182167752 /nfs/dbraw/zinc/16/77/52/182167752.db2.gz WPEFCWOFNUWXIN-LLVKDONJSA-N 2 0 225.336 0.198 20 0 BCADRP CC[NH2+]CCCNC(=O)N(C)C1CC([NH3+])C1 ZINC000634076354 373941389 /nfs/dbraw/zinc/94/13/89/373941389.db2.gz IRXVKBNOMCNTIV-UHFFFAOYSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634268608 374083705 /nfs/dbraw/zinc/08/37/05/374083705.db2.gz BDSKDACJFCQMJF-QWRGUYRKSA-N 2 0 242.367 0.555 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634300851 374125353 /nfs/dbraw/zinc/12/53/53/374125353.db2.gz NAYPPNCTJXLKHB-VXGBXAGGSA-N 2 0 241.379 0.768 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634300576 374127305 /nfs/dbraw/zinc/12/73/05/374127305.db2.gz DFMWFENAWQXMIL-GFCCVEGCSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634270592 374084857 /nfs/dbraw/zinc/08/48/57/374084857.db2.gz OPVBVVDUWRLQPP-UWVGGRQHSA-N 2 0 228.340 0.165 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634271853 374086618 /nfs/dbraw/zinc/08/66/18/374086618.db2.gz WWYCIDWWRLLLRW-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634271835 374086770 /nfs/dbraw/zinc/08/67/70/374086770.db2.gz WQEJTSZRCDBUTF-NXEZZACHSA-N 2 0 228.340 0.165 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070578141 374147640 /nfs/dbraw/zinc/14/76/40/374147640.db2.gz PZZONAWMASKUIG-UZEXVOJHSA-N 2 0 239.363 0.890 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000373862776 182237465 /nfs/dbraw/zinc/23/74/65/182237465.db2.gz LULRIAPOEMAYBW-NQBHXWOUSA-N 2 0 237.347 0.244 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418402411 206018448 /nfs/dbraw/zinc/01/84/48/206018448.db2.gz ZKVIMQUXYNVDRB-GARJFASQSA-N 2 0 242.367 0.139 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000418388825 206017362 /nfs/dbraw/zinc/01/73/62/206017362.db2.gz VUUFSOCMILMYTH-GMTAPVOTSA-N 2 0 240.351 0.308 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000238118283 182293706 /nfs/dbraw/zinc/29/37/06/182293706.db2.gz HRYMNNLCASPINK-GHMZBOCLSA-N 2 0 237.347 0.244 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000368705260 182294798 /nfs/dbraw/zinc/29/47/98/182294798.db2.gz ZDDVBLIYVJXAIX-GHMZBOCLSA-N 2 0 225.336 0.387 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000368705261 182294893 /nfs/dbraw/zinc/29/48/93/182294893.db2.gz ZDDVBLIYVJXAIX-MNOVXSKESA-N 2 0 225.336 0.387 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000376992281 182295406 /nfs/dbraw/zinc/29/54/06/182295406.db2.gz LHRSIJWARSQHMY-WDEREUQCSA-N 2 0 225.336 0.244 20 0 BCADRP COCCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000155884409 206069606 /nfs/dbraw/zinc/06/96/06/206069606.db2.gz YXTCKQAQXUHLQB-VXGBXAGGSA-N 2 0 230.352 0.722 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000376528231 182304578 /nfs/dbraw/zinc/30/45/78/182304578.db2.gz UYYBDYOBHBEKIG-TUAOUCFPSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)[C@H](C)[NH3+] ZINC000449598928 206099330 /nfs/dbraw/zinc/09/93/30/206099330.db2.gz DVGOYZIOTNLMRE-HOSYDEDBSA-N 2 0 235.331 0.928 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449598092 206099403 /nfs/dbraw/zinc/09/94/03/206099403.db2.gz AVRSWNLHDVLUFG-UKKRHICBSA-N 2 0 227.352 0.746 20 0 BCADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000044726676 182335090 /nfs/dbraw/zinc/33/50/90/182335090.db2.gz MNRZXWQSIHQOMO-ONGXEEELSA-N 2 0 223.320 0.091 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000132897783 182336473 /nfs/dbraw/zinc/33/64/73/182336473.db2.gz QHKNBDVDOOMGAJ-TUAOUCFPSA-N 2 0 237.347 0.481 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000166638317 206142941 /nfs/dbraw/zinc/14/29/41/206142941.db2.gz LQAZFINVPYUEBN-ZDUSSCGKSA-N 2 0 241.379 0.834 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000378167634 182617303 /nfs/dbraw/zinc/61/73/03/182617303.db2.gz BGRWIRSZRAAHNC-UTUOFQBUSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000522061357 259585176 /nfs/dbraw/zinc/58/51/76/259585176.db2.gz UGMUFZBQRMXIPC-WCQYABFASA-N 2 0 239.363 0.716 20 0 BCADRP CCCN(C(=O)[C@H](C)C[NH2+]C)[C@@H]1CC[NH2+]C1 ZINC000178915285 134313564 /nfs/dbraw/zinc/31/35/64/134313564.db2.gz UZQDIRYTPIDMFI-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C[NH+](CC)CC ZINC000162741690 168961854 /nfs/dbraw/zinc/96/18/54/168961854.db2.gz SEDPBGGCMVEJON-NSHDSACASA-N 2 0 229.368 0.962 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C1CC[NH+](C)CC1 ZINC000236877711 169002269 /nfs/dbraw/zinc/00/22/69/169002269.db2.gz JFYKKCDNWGJCPF-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C(C)(C)C[NH3+] ZINC000309736222 169002401 /nfs/dbraw/zinc/00/24/01/169002401.db2.gz CKESYAQSNBPYJW-SECBINFHSA-N 2 0 215.341 0.605 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CC[NH2+]C1 ZINC000236907249 169002614 /nfs/dbraw/zinc/00/26/14/169002614.db2.gz CLDUSONVABYKLN-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000336753026 169005919 /nfs/dbraw/zinc/00/59/19/169005919.db2.gz WDTPBUVHEGQWNE-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000337515963 169006157 /nfs/dbraw/zinc/00/61/57/169006157.db2.gz QBNZROOBCVYUAX-VWYCJHECSA-N 2 0 227.352 0.700 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)CC[NH2+]C ZINC000336745867 169001892 /nfs/dbraw/zinc/00/18/92/169001892.db2.gz BMTIMRRXIVYBOQ-SECBINFHSA-N 2 0 201.314 0.230 20 0 BCADRP O[C@@H](C[NH2+]C1CCCC1)C[NH+]1CCCC1 ZINC000037859723 183177273 /nfs/dbraw/zinc/17/72/73/183177273.db2.gz KLASNLYBQJVCIC-LBPRGKRZSA-N 2 0 212.337 0.975 20 0 BCADRP O[C@@H](C[NH2+]CC[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000038096756 183178971 /nfs/dbraw/zinc/17/89/71/183178971.db2.gz XBOIQOUNAGSEAQ-QWHCGFSZSA-N 2 0 242.363 0.602 20 0 BCADRP CCC[N@H+](C)CC(=O)NC(C)(C)CCC[NH3+] ZINC000340139700 169069631 /nfs/dbraw/zinc/06/96/31/169069631.db2.gz VZRNHLGTSGCJSN-UHFFFAOYSA-N 2 0 229.368 0.962 20 0 BCADRP CCC[N@H+](C)CC(=O)NCCC[NH+]1CCCC1 ZINC000355473008 169071673 /nfs/dbraw/zinc/07/16/73/169071673.db2.gz NALIVTLLEMUADW-UHFFFAOYSA-N 2 0 241.379 0.930 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]C ZINC000309653825 169071710 /nfs/dbraw/zinc/07/17/10/169071710.db2.gz UVAHUYXYVWCEKK-SECBINFHSA-N 2 0 201.314 0.052 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH2+]C)C1 ZINC000357238592 169078510 /nfs/dbraw/zinc/07/85/10/169078510.db2.gz ILCCHCOJVXXCHK-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP O[C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)C[C@@H]12 ZINC000228125913 183203868 /nfs/dbraw/zinc/20/38/68/183203868.db2.gz APCRVSADWOGUKO-FDYHWXHSSA-N 2 0 224.348 0.689 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357290727 169075614 /nfs/dbraw/zinc/07/56/14/169075614.db2.gz DIDGNZGUYHMXLM-NTZNESFSSA-N 2 0 241.379 0.831 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH3+] ZINC000309616759 169066273 /nfs/dbraw/zinc/06/62/73/169066273.db2.gz OACSLOMRDDYWHT-SECBINFHSA-N 2 0 201.314 0.134 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH3+])C1 ZINC000236762088 169078591 /nfs/dbraw/zinc/07/85/91/169078591.db2.gz UENDAJHUCPJVHZ-LBPRGKRZSA-N 2 0 241.379 0.916 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000226407163 169122318 /nfs/dbraw/zinc/12/23/18/169122318.db2.gz UEZXGDCJVHVMEJ-CYBMUJFWSA-N 2 0 241.379 0.834 20 0 BCADRP CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)[NH3+])CC1 ZINC000038100753 169187086 /nfs/dbraw/zinc/18/70/86/169187086.db2.gz UESDLQADMJTXJA-SNVBAGLBSA-N 2 0 227.352 0.666 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@H](C)[NH3+])CC1 ZINC000040829687 169188327 /nfs/dbraw/zinc/18/83/27/169188327.db2.gz NBNSMKJNMGMLKU-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP CCC[N@@H+]1CCCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000373799135 169193855 /nfs/dbraw/zinc/19/38/55/169193855.db2.gz HGEUDIAFGWLZTP-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)C ZINC000358828130 169195781 /nfs/dbraw/zinc/19/57/81/169195781.db2.gz JZVGGEPQCBZSAI-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP CCCNC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746957 169217954 /nfs/dbraw/zinc/21/79/54/169217954.db2.gz SPQVAOQHOZOLAQ-FOSCPWQOSA-N 2 0 239.363 0.727 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000236783108 169257884 /nfs/dbraw/zinc/25/78/84/169257884.db2.gz SPFQGVSVPKRFQM-UWVGGRQHSA-N 2 0 215.341 0.476 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@]1(CC)CC[NH2+]C1 ZINC000364551241 169259024 /nfs/dbraw/zinc/25/90/24/169259024.db2.gz UPWGJWRGKBHMGU-LBPRGKRZSA-N 2 0 227.352 0.492 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000376971497 169259143 /nfs/dbraw/zinc/25/91/43/169259143.db2.gz KIZOYYPHZFTQBU-PWSUYJOCSA-N 2 0 225.336 0.102 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000236803991 169259248 /nfs/dbraw/zinc/25/92/48/169259248.db2.gz ZSDNGXBJSFZXMA-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@]1(CC)CCC[NH2+]1 ZINC000134621684 169259428 /nfs/dbraw/zinc/25/94/28/169259428.db2.gz ILQDTSGFIHWROE-LBPRGKRZSA-N 2 0 227.352 0.634 20 0 BCADRP CCCNC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122296498 169245926 /nfs/dbraw/zinc/24/59/26/169245926.db2.gz VNZZCQQFAZKGFO-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)NCC[N@H+](C)CC ZINC000054133306 169389806 /nfs/dbraw/zinc/38/98/06/169389806.db2.gz WPCCMUFYEUTMIF-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000309014965 169389235 /nfs/dbraw/zinc/38/92/35/169389235.db2.gz UAEYGDSEPLLSJH-RKDXNWHRSA-N 2 0 201.314 0.213 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368648965 169390828 /nfs/dbraw/zinc/39/08/28/169390828.db2.gz YWWYPDLQLVPNFT-NXEZZACHSA-N 2 0 225.336 0.372 20 0 BCADRP COC[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000223954888 134343751 /nfs/dbraw/zinc/34/37/51/134343751.db2.gz BZBKUXGHTDSPSR-QNWHQSFQSA-N 2 0 244.379 0.702 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000223919582 134343766 /nfs/dbraw/zinc/34/37/66/134343766.db2.gz QINQRFGMXWSBTH-AXFHLTTASA-N 2 0 227.352 0.298 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000226394030 134365052 /nfs/dbraw/zinc/36/50/52/134365052.db2.gz XXJBMHGTUZTWIT-UWVGGRQHSA-N 2 0 245.392 0.277 20 0 BCADRP C[C@@H](CC(=O)NCCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000087973457 383826015 /nfs/dbraw/zinc/82/60/15/383826015.db2.gz LVFBSQAHJYUEOX-QWRGUYRKSA-N 2 0 227.352 0.477 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC[C@H]1[NH3+] ZINC000648124748 383845864 /nfs/dbraw/zinc/84/58/64/383845864.db2.gz BQPKTWLVLRGTTR-GMTAPVOTSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000262658165 383879723 /nfs/dbraw/zinc/87/97/23/383879723.db2.gz DTVKHXLHZDETBL-RYUDHWBXSA-N 2 0 239.363 0.444 20 0 BCADRP CC[C@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CC[C@H]1[NH3+] ZINC000648124830 383850811 /nfs/dbraw/zinc/85/08/11/383850811.db2.gz CXLAJNZRLBVHID-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1CCC[N@H+](CCNC(=O)C2([NH3+])CCC2)C1 ZINC000449322925 383853573 /nfs/dbraw/zinc/85/35/73/383853573.db2.gz ZWXKWCSHLIFUED-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H](CNC(=O)c1c[nH+]ccc1N)[NH+](C)C ZINC000088112523 383880348 /nfs/dbraw/zinc/88/03/48/383880348.db2.gz LKQVGMAFRXVMQM-QMMMGPOBSA-N 2 0 222.292 0.344 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000449326003 383861011 /nfs/dbraw/zinc/86/10/11/383861011.db2.gz RJMYASGTQBVNIK-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000037821711 383864552 /nfs/dbraw/zinc/86/45/52/383864552.db2.gz JQYXUCKUTMIAGQ-NSHDSACASA-N 2 0 227.352 0.524 20 0 BCADRP C[NH+](C)CCN(C(=O)C[NH3+])C1CCCC1 ZINC000037825027 383865932 /nfs/dbraw/zinc/86/59/32/383865932.db2.gz LMQCKURDGMESDX-UHFFFAOYSA-N 2 0 213.325 0.278 20 0 BCADRP C[C@@H]1CC[C@@H](C[N@H+](C)CCOCC[NH3+])O1 ZINC000301051483 383881004 /nfs/dbraw/zinc/88/10/04/383881004.db2.gz UPCPDLTXURQSEE-MNOVXSKESA-N 2 0 216.325 0.461 20 0 BCADRP OCCOCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000227501604 134381976 /nfs/dbraw/zinc/38/19/76/134381976.db2.gz WYEFZKMYSGHMFL-QWHCGFSZSA-N 2 0 242.363 0.602 20 0 BCADRP Cc1cncc(C[N@H+](C)CCOCC[NH3+])c1 ZINC000301047305 383876514 /nfs/dbraw/zinc/87/65/14/383876514.db2.gz PJGXTAIUAOPPBZ-UHFFFAOYSA-N 2 0 223.320 0.797 20 0 BCADRP Cc1cccnc1C[N@H+](C)CCOCC[NH3+] ZINC000301047237 383877156 /nfs/dbraw/zinc/87/71/56/383877156.db2.gz PIMZTRAPXVPEKH-UHFFFAOYSA-N 2 0 223.320 0.797 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@](C)(C[NH3+])C2CC2)CC1 ZINC000237105715 383887963 /nfs/dbraw/zinc/88/79/63/383887963.db2.gz OFZQCWHHCNJDOU-CYBMUJFWSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC000518529643 383980568 /nfs/dbraw/zinc/98/05/68/383980568.db2.gz QCKLXNSMSTZRJT-BJDJZHNGSA-N 2 0 239.363 0.583 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@H](C)C[NH3+] ZINC000449360922 383980909 /nfs/dbraw/zinc/98/09/09/383980909.db2.gz VXVNGSIOTWHBBP-RKDXNWHRSA-N 2 0 201.314 0.086 20 0 BCADRP CC[C@H]1CN(C(=O)c2c[nH+]ccc2N)CC[C@H]1[NH3+] ZINC000648126839 383992862 /nfs/dbraw/zinc/99/28/62/383992862.db2.gz WTQYCYWDLXMYAE-GXSJLCMTSA-N 2 0 248.330 0.694 20 0 BCADRP CC[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000648126872 383993037 /nfs/dbraw/zinc/99/30/37/383993037.db2.gz XNKFJZFIBABXPU-MMWGEVLESA-N 2 0 225.336 0.310 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[NH+](C)C ZINC000155666348 383996118 /nfs/dbraw/zinc/99/61/18/383996118.db2.gz BCFKYPWYVIENES-AAEUAGOBSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000357234011 383964630 /nfs/dbraw/zinc/96/46/30/383964630.db2.gz AFSNEXVQTZKIGB-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000566295672 383974181 /nfs/dbraw/zinc/97/41/81/383974181.db2.gz DXBRVEGUTKNDRU-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186830240 384027051 /nfs/dbraw/zinc/02/70/51/384027051.db2.gz RUCUIRFNAMFXMQ-QWRGUYRKSA-N 2 0 227.352 0.441 20 0 BCADRP C[NH+](C)CC1CCN(C(=O)CCC[NH3+])CC1 ZINC000037826105 384026146 /nfs/dbraw/zinc/02/61/46/384026146.db2.gz ZGDHIHJQYRGVFX-UHFFFAOYSA-N 2 0 227.352 0.526 20 0 BCADRP C[C@@H]1OCC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000119917971 384013426 /nfs/dbraw/zinc/01/34/26/384013426.db2.gz HLIJVEXGELRHOF-QWHCGFSZSA-N 2 0 241.379 0.391 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000309400673 384034417 /nfs/dbraw/zinc/03/44/17/384034417.db2.gz VFSMYSVJXKRUHU-RKDXNWHRSA-N 2 0 215.341 0.459 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000648130012 384086506 /nfs/dbraw/zinc/08/65/06/384086506.db2.gz BLZMCGMJQDEXIQ-MXWKQRLJSA-N 2 0 225.336 0.311 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000569455635 384062723 /nfs/dbraw/zinc/06/27/23/384062723.db2.gz OMTDNCCTSFFJRQ-LPEHRKFASA-N 2 0 213.325 0.213 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000517373053 384064215 /nfs/dbraw/zinc/06/42/15/384064215.db2.gz AHWSRIMKWCYFQZ-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP COC(=O)CN(CCn1ccnc1)C(C)C ZINC000050063514 384105820 /nfs/dbraw/zinc/10/58/20/384105820.db2.gz MYJGAVZVYNGBSE-UHFFFAOYSA-N 2 0 225.292 0.767 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000648140838 384171603 /nfs/dbraw/zinc/17/16/03/384171603.db2.gz MYAUBPVHJUREBL-XWLWVQCSSA-N 2 0 243.326 0.191 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000648141272 384172070 /nfs/dbraw/zinc/17/20/70/384172070.db2.gz XIVOOBUOSZDDTM-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000648136804 384158887 /nfs/dbraw/zinc/15/88/87/384158887.db2.gz SNMZQFVDVTUBFS-HNCHTBHHSA-N 2 0 239.363 0.489 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648136947 384159017 /nfs/dbraw/zinc/15/90/17/384159017.db2.gz PAZOKJWZFPZMQB-WYUUTHIRSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)[NH3+])CC[N@@H+]1C ZINC000237378324 384159500 /nfs/dbraw/zinc/15/95/00/384159500.db2.gz QJGNEKICBIXYTA-NXEZZACHSA-N 2 0 227.352 0.665 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000648140107 384167553 /nfs/dbraw/zinc/16/75/53/384167553.db2.gz DFXIQIIYFADJNW-MXWKQRLJSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000648141269 384171054 /nfs/dbraw/zinc/17/10/54/384171054.db2.gz XIVOOBUOSZDDTM-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@]1(C(N)=O)CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000235436181 384231606 /nfs/dbraw/zinc/23/16/06/384231606.db2.gz OEKKUUMFGWNBMJ-ZYHUDNBSSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000237455967 384209383 /nfs/dbraw/zinc/20/93/83/384209383.db2.gz APQXCMJBLDLCJH-WDEREUQCSA-N 2 0 241.379 0.688 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)co1 ZINC000336601204 384211754 /nfs/dbraw/zinc/21/17/54/384211754.db2.gz IRTHGIRLKRTNQT-NXEZZACHSA-N 2 0 237.303 0.738 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000644164762 384244771 /nfs/dbraw/zinc/24/47/71/384244771.db2.gz KGRJIJNGWKLWKG-ACZMJKKPSA-N 2 0 241.257 0.366 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644164359 384246581 /nfs/dbraw/zinc/24/65/81/384246581.db2.gz INLPXZLDGXNCKD-IUCAKERBSA-N 2 0 227.352 0.474 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000644164137 384247734 /nfs/dbraw/zinc/24/77/34/384247734.db2.gz WSOFENUWRJYXCB-QWRGUYRKSA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1Cc1cncn1C ZINC000560614189 384255437 /nfs/dbraw/zinc/25/54/37/384255437.db2.gz BLYVARHRLRDISH-LLVKDONJSA-N 2 0 222.336 0.946 20 0 BCADRP C[C@@]1(C(=O)NC[C@H]2CCC[NH2+]C2)CCCC[NH2+]1 ZINC000237506598 384255761 /nfs/dbraw/zinc/25/57/61/384255761.db2.gz MIXMDEXLXUOKOB-AAEUAGOBSA-N 2 0 239.363 0.634 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC000228471740 384258305 /nfs/dbraw/zinc/25/83/05/384258305.db2.gz HPLZQRKEVJVMPY-JHJVBQTASA-N 2 0 234.347 0.942 20 0 BCADRP C[NH2+]CCN(C)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093677821 384262614 /nfs/dbraw/zinc/26/26/14/384262614.db2.gz JGHWASATXVCTQN-YOGCLGLASA-N 2 0 239.363 0.585 20 0 BCADRP CO[C@H](C)[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309467453 384309493 /nfs/dbraw/zinc/30/94/93/384309493.db2.gz PTYSVJKCNFYGLK-GHMZBOCLSA-N 2 0 230.352 0.456 20 0 BCADRP C[C@H](C[NH2+][C@H]1CO[C@H](C)C1)C[NH+](C)C ZINC000401936144 384313901 /nfs/dbraw/zinc/31/39/01/384313901.db2.gz MSJFKHRPOADUNF-GMTAPVOTSA-N 2 0 200.326 0.951 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCN1CCCC1=O ZINC000405429526 384316150 /nfs/dbraw/zinc/31/61/50/384316150.db2.gz IZPBSHAQFOLWQL-UWVGGRQHSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](CN1CCOCC1)[NH+]1CCC([NH3+])CC1 ZINC000564988115 384322780 /nfs/dbraw/zinc/32/27/80/384322780.db2.gz KIOPSVBZSMOYDR-LLVKDONJSA-N 2 0 227.352 0.130 20 0 BCADRP C[C@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000083219225 384293984 /nfs/dbraw/zinc/29/39/84/384293984.db2.gz LLXZYRHARDUHEA-YEJSDXFRSA-N 2 0 212.337 0.830 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CN(CC[NH2+]C(C)(C)C)CCO1 ZINC000647506493 384294584 /nfs/dbraw/zinc/29/45/84/384294584.db2.gz JXQYYAAYGPTWTI-GHMZBOCLSA-N 2 0 229.368 0.423 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000647506580 384297830 /nfs/dbraw/zinc/29/78/30/384297830.db2.gz SZJBKPIAPCAEFU-TUAOUCFPSA-N 2 0 227.352 0.034 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)C[C@H]1CC[NH2+]C1 ZINC000648179447 384338670 /nfs/dbraw/zinc/33/86/70/384338670.db2.gz WNEDAXINDZMJTG-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])C[NH+]1CCCC1 ZINC000248498791 384340911 /nfs/dbraw/zinc/34/09/11/384340911.db2.gz RUWQISKFJFAMHQ-WOPDTQHZSA-N 2 0 241.379 0.818 20 0 BCADRP C[N@@H+](Cc1cccc(N)c1)C[C@@H](O)C[NH3+] ZINC000564988701 384328561 /nfs/dbraw/zinc/32/85/61/384328561.db2.gz OGJGJXQSIODUEU-NSHDSACASA-N 2 0 209.293 0.020 20 0 BCADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC2(CC[NH2+]2)CC1 ZINC000648179440 384333334 /nfs/dbraw/zinc/33/33/34/384333334.db2.gz VVRMVWJHMDUNBI-MXWKQRLJSA-N 2 0 235.331 0.091 20 0 BCADRP COCCC[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000084385800 384392656 /nfs/dbraw/zinc/39/26/56/384392656.db2.gz PDBXNBSMVQGLPB-NSHDSACASA-N 2 0 200.326 0.954 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CCC[NH2+][C@H]2C)CCC[NH2+]1 ZINC000248879180 384393258 /nfs/dbraw/zinc/39/32/58/384393258.db2.gz RSHITAPHVNBHLR-GMXVVIOVSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCOCC2)CO1 ZINC000647171280 384393600 /nfs/dbraw/zinc/39/36/00/384393600.db2.gz DWKYCUGMXVQQLO-OLZOCXBDSA-N 2 0 242.363 0.866 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000248873027 384394660 /nfs/dbraw/zinc/39/46/60/384394660.db2.gz PMZSSKOGAWAEDK-BJDJZHNGSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000648144905 384409755 /nfs/dbraw/zinc/40/97/55/384409755.db2.gz HLVKSBVXNPWWBM-JFGNBEQYSA-N 2 0 235.331 0.408 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)CCC(C)(C)[NH3+] ZINC000648144901 384410057 /nfs/dbraw/zinc/41/00/57/384410057.db2.gz GQZWXTBAJBDSBF-SFYZADRCSA-N 2 0 201.314 0.356 20 0 BCADRP CCO[C@@H]1C[N@H+](C[C@@H]2CC[C@H](C)O2)C[C@H]1C[NH3+] ZINC000405540236 384411213 /nfs/dbraw/zinc/41/12/13/384411213.db2.gz RISUBHXXPKXTLS-QNWHQSFQSA-N 2 0 242.363 0.850 20 0 BCADRP CCO[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C)O2)C[C@H]1C[NH3+] ZINC000405540235 384411323 /nfs/dbraw/zinc/41/13/23/384411323.db2.gz RISUBHXXPKXTLS-FVCCEPFGSA-N 2 0 242.363 0.850 20 0 BCADRP C[C@]1(C(N)=O)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000235739569 384414143 /nfs/dbraw/zinc/41/41/43/384414143.db2.gz XNZOOQMFNJFOLO-LBPRGKRZSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@H](CO)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000084217085 384376885 /nfs/dbraw/zinc/37/68/85/384376885.db2.gz HABDTNKAVPPOEF-AXFHLTTASA-N 2 0 200.326 0.722 20 0 BCADRP C[C@]1(C(=O)N[C@@H](C[NH3+])C2CC2)CCCC[NH2+]1 ZINC000237768403 384378352 /nfs/dbraw/zinc/37/83/52/384378352.db2.gz DNWAHJDCTGYKQX-CMPLNLGQSA-N 2 0 225.336 0.372 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)CC[C@H](C)[NH3+])C1 ZINC000248851277 384381100 /nfs/dbraw/zinc/38/11/00/384381100.db2.gz JIINUHQGBYVVOU-NWDGAFQWSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)[C@H](C)[NH3+] ZINC000648145237 384446294 /nfs/dbraw/zinc/44/62/94/384446294.db2.gz VBMMZCVLNUREPN-XLPZGREQSA-N 2 0 235.278 0.083 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248642218 384453340 /nfs/dbraw/zinc/45/33/40/384453340.db2.gz RMXFKBHAUMKELA-SDDRHHMPSA-N 2 0 239.363 0.524 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000237919719 384430405 /nfs/dbraw/zinc/43/04/05/384430405.db2.gz FVJIBGZWBFIWMQ-USZNOCQGSA-N 2 0 237.347 0.467 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000648180289 384461055 /nfs/dbraw/zinc/46/10/55/384461055.db2.gz QKTRFFXPMJNDOV-OPRDCNLKSA-N 2 0 225.336 0.371 20 0 BCADRP C[NH+](C)[C@@H]1CCCN([C@H]2COC[C@H]2O)CC1 ZINC000361395399 384467294 /nfs/dbraw/zinc/46/72/94/384467294.db2.gz NVWJUFGCALOZQQ-GRYCIOLGSA-N 2 0 228.336 0.162 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180391 384468329 /nfs/dbraw/zinc/46/83/29/384468329.db2.gz AKYPHWZYPCQZJX-DTWKUNHWSA-N 2 0 211.309 0.125 20 0 BCADRP C[NH2+]CCC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000648176414 384471241 /nfs/dbraw/zinc/47/12/41/384471241.db2.gz PDCPMGJIIKUKJU-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]CC1(C(=O)NC2CCC([NH3+])CC2)CCCC1 ZINC000148723209 384471839 /nfs/dbraw/zinc/47/18/39/384471839.db2.gz GUJRMVZJNRNOFZ-UHFFFAOYSA-N 2 0 239.363 0.892 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000334388406 384479234 /nfs/dbraw/zinc/47/92/34/384479234.db2.gz QNGNDPJJVSPBAW-NWDGAFQWSA-N 2 0 237.347 0.435 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180710 384479942 /nfs/dbraw/zinc/47/99/42/384479942.db2.gz MLEXRXVGVKPPMS-WDEREUQCSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000357410993 384498452 /nfs/dbraw/zinc/49/84/52/384498452.db2.gz JOVSNKZHUWBVRA-WOPDTQHZSA-N 2 0 239.363 0.680 20 0 BCADRP CN(C(=O)[C@H]1[NH2+]CC1(C)C)[C@@H](C[NH3+])C1CC1 ZINC000648176633 384500540 /nfs/dbraw/zinc/50/05/40/384500540.db2.gz FMHVYJMKAVWIOD-VHSXEESVSA-N 2 0 225.336 0.180 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CCCC1 ZINC000648176732 384503256 /nfs/dbraw/zinc/50/32/56/384503256.db2.gz KYLCXWWCGQPTFI-KXNHARMFSA-N 2 0 237.347 0.086 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000357410977 384493836 /nfs/dbraw/zinc/49/38/36/384493836.db2.gz JOVSNKZHUWBVRA-IJLUTSLNSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H]1[C@H](C(=O)N(C)[C@H](C[NH3+])C2CC2)CC[N@@H+]1C ZINC000648176999 384516399 /nfs/dbraw/zinc/51/63/99/384516399.db2.gz XBAVWHOPPHTHKO-YUSALJHKSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@H]1CC2(CN1C(=O)[C@@H]1C[C@@H]1[NH3+])CC[NH2+]CC2 ZINC000643844944 384536446 /nfs/dbraw/zinc/53/64/46/384536446.db2.gz IQNHICHIWXEDKL-AXFHLTTASA-N 2 0 237.347 0.324 20 0 BCADRP CCNC(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397343498 384533336 /nfs/dbraw/zinc/53/33/36/384533336.db2.gz WVNGFJPWJUQAJQ-VWYCJHECSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000647522915 384548413 /nfs/dbraw/zinc/54/84/13/384548413.db2.gz WLRKTRDABJKIEZ-NEPJUHHUSA-N 2 0 230.352 0.194 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CCC[NH+](C)C1 ZINC000151187055 384550153 /nfs/dbraw/zinc/55/01/53/384550153.db2.gz DYGYLTKSLFFPJY-LBPRGKRZSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000354406201 384552176 /nfs/dbraw/zinc/55/21/76/384552176.db2.gz JTPULUJFMYVBIX-VXGBXAGGSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CO[C@H](C)C1 ZINC000647181000 384553335 /nfs/dbraw/zinc/55/33/35/384553335.db2.gz DUKOTVRNZLMSEY-UPJWGTAASA-N 2 0 241.379 0.389 20 0 BCADRP CC(C)CC[NH+]1CCC(CNC(=O)C[NH3+])CC1 ZINC000236711988 384555279 /nfs/dbraw/zinc/55/52/79/384555279.db2.gz CSQRAAAJDJWTAL-UHFFFAOYSA-N 2 0 241.379 0.819 20 0 BCADRP C[N@H+](CCOCC[NH3+])CC[C@@H]1CCCO1 ZINC000300767588 384538732 /nfs/dbraw/zinc/53/87/32/384538732.db2.gz AAAOUFRSKBAMFJ-NSHDSACASA-N 2 0 216.325 0.463 20 0 BCADRP CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000306067010 384569822 /nfs/dbraw/zinc/56/98/22/384569822.db2.gz YYWMKFXGOAGNRW-QWRGUYRKSA-N 2 0 245.367 0.197 20 0 BCADRP CO[C@@H](C)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000517926060 384574391 /nfs/dbraw/zinc/57/43/91/384574391.db2.gz WPSFQRZHWHJSKE-JFGNBEQYSA-N 2 0 230.352 0.455 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000517932833 384577694 /nfs/dbraw/zinc/57/76/94/384577694.db2.gz YRYXKEWBZGPSST-QJPTWQEYSA-N 2 0 239.363 0.490 20 0 BCADRP CC[C@@H](O)C[NH2+]C[C@@H]1CCCCN1CCO ZINC000647529994 384615463 /nfs/dbraw/zinc/61/54/63/384615463.db2.gz AJSDQUQLBFGKRN-NWDGAFQWSA-N 2 0 230.352 0.194 20 0 BCADRP CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531118694 384619874 /nfs/dbraw/zinc/61/98/74/384619874.db2.gz ODCWKCIFXREZGX-UHFFFAOYSA-N 2 0 215.341 0.348 20 0 BCADRP C[NH2+]Cc1cccc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000647671785 384666058 /nfs/dbraw/zinc/66/60/58/384666058.db2.gz URWHCRSZUKTKOT-ITGUQSILSA-N 2 0 245.326 0.810 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000044538763 384656730 /nfs/dbraw/zinc/65/67/30/384656730.db2.gz UXEMOPCRHTUVJA-VXGBXAGGSA-N 2 0 239.363 0.444 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000449601198 384677011 /nfs/dbraw/zinc/67/70/11/384677011.db2.gz QXPHOVZEIIAJJS-CMPLNLGQSA-N 2 0 241.379 0.866 20 0 BCADRP CCC[NH+]1CCC(N[C@@H]2CC[NH2+]C2)CC1 ZINC000086725605 384679593 /nfs/dbraw/zinc/67/95/93/384679593.db2.gz TZOOAFTUSXUDTH-GFCCVEGCSA-N 2 0 211.353 0.812 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449603932 384694237 /nfs/dbraw/zinc/69/42/37/384694237.db2.gz RTHMGUJPXTVCOK-NAKRPEOUSA-N 2 0 227.352 0.472 20 0 BCADRP Cc1cc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)nn1C ZINC000647542320 384705705 /nfs/dbraw/zinc/70/57/05/384705705.db2.gz TWKXAGGTIPLCHZ-DGCLKSJQSA-N 2 0 234.347 0.912 20 0 BCADRP Cc1cc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)nn1C ZINC000647542319 384706064 /nfs/dbraw/zinc/70/60/64/384706064.db2.gz TWKXAGGTIPLCHZ-AAEUAGOBSA-N 2 0 234.347 0.912 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000449608191 384706083 /nfs/dbraw/zinc/70/60/83/384706083.db2.gz FULUUNBHOCHBNP-HBNTYKKESA-N 2 0 227.352 0.474 20 0 BCADRP C[NH+](C)C[C@@](C)(O)C[NH2+]CC(C)(C)C ZINC000125896721 384717781 /nfs/dbraw/zinc/71/77/81/384717781.db2.gz BCFBFZAOBTZVST-NSHDSACASA-N 2 0 202.342 0.935 20 0 BCADRP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000647546461 384729361 /nfs/dbraw/zinc/72/93/61/384729361.db2.gz LDZKPNUFNRZDGT-IJLUTSLNSA-N 2 0 211.353 0.716 20 0 BCADRP O[C@@H](C[NH2+]C[C@@H](O)C1CCC1)C[NH+]1CCCC1 ZINC000316073840 384729463 /nfs/dbraw/zinc/72/94/63/384729463.db2.gz AGDRMYDVUDTJHU-QWHCGFSZSA-N 2 0 242.363 0.194 20 0 BCADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546341 384730160 /nfs/dbraw/zinc/73/01/60/384730160.db2.gz GZULRMIEXIUMRM-XJFOESAGSA-N 3 0 237.391 0.964 20 0 BCADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000647546418 384730254 /nfs/dbraw/zinc/73/02/54/384730254.db2.gz JLEPFRWRSXTKPY-LPWJVIDDSA-N 3 0 223.364 0.716 20 0 BCADRP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000647546463 384731584 /nfs/dbraw/zinc/73/15/84/384731584.db2.gz LDZKPNUFNRZDGT-WOPDTQHZSA-N 2 0 211.353 0.716 20 0 BCADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546796 384733225 /nfs/dbraw/zinc/73/32/25/384733225.db2.gz BTIAGDVDDZHGRM-FDYHWXHSSA-N 3 0 225.380 0.962 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](NC[C@H]2CCC[NH2+]C2)C1 ZINC000647546575 384733970 /nfs/dbraw/zinc/73/39/70/384733970.db2.gz PYRSJFSICPXPJC-SDDRHHMPSA-N 2 0 211.353 0.574 20 0 BCADRP C1[NH2+]C[C@H]2CC[C@@H]([NH2+][C@H]3CCCNC3)C[C@@H]12 ZINC000647546847 384734022 /nfs/dbraw/zinc/73/40/22/384734022.db2.gz DHLZCDWZJQAELI-XQHKEYJVSA-N 2 0 223.364 0.716 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647547115 384736423 /nfs/dbraw/zinc/73/64/23/384736423.db2.gz OHHIPMLNGUZNJW-KSTCHIGDSA-N 3 0 237.391 0.962 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647547114 384737087 /nfs/dbraw/zinc/73/70/87/384737087.db2.gz OHHIPMLNGUZNJW-ITGHMWBKSA-N 3 0 237.391 0.962 20 0 BCADRP C1[NH2+]C[C@@H]2[C@H]1[C@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647547435 384737182 /nfs/dbraw/zinc/73/71/82/384737182.db2.gz WKWFATIMAPTBBG-ISFYIQIJSA-N 3 0 221.348 0.182 20 0 BCADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647547509 384739713 /nfs/dbraw/zinc/73/97/13/384739713.db2.gz YCVCZHRHQZBOEM-DDHJBXDOSA-N 3 0 211.353 0.559 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648185968 384739883 /nfs/dbraw/zinc/73/98/83/384739883.db2.gz KOTGDVYJRLGBOL-NXEZZACHSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648186103 384740756 /nfs/dbraw/zinc/74/07/56/384740756.db2.gz NQNIICCMWHATPO-WDEREUQCSA-N 2 0 239.363 0.905 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648186180 384742370 /nfs/dbraw/zinc/74/23/70/384742370.db2.gz PHALRCRXDCSIDN-JTQLQIEISA-N 2 0 225.336 0.387 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648186181 384743817 /nfs/dbraw/zinc/74/38/17/384743817.db2.gz PHALRCRXDCSIDN-SNVBAGLBSA-N 2 0 225.336 0.387 20 0 BCADRP O=C(C[NH2+]C1CC1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648186375 384744489 /nfs/dbraw/zinc/74/44/89/384744489.db2.gz TVVMMMDFBZWQPF-NSHDSACASA-N 2 0 237.347 0.529 20 0 BCADRP C[C@@]1(CNC[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]C1 ZINC000647548197 384749772 /nfs/dbraw/zinc/74/97/72/384749772.db2.gz YQJGCUYPSGGGCX-GARJFASQSA-N 2 0 215.316 0.276 20 0 BCADRP F[C@@H]1CN[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647548191 384750427 /nfs/dbraw/zinc/75/04/27/384750427.db2.gz YLYCUSIWFBNNIU-SJHCENCUSA-N 2 0 241.354 0.664 20 0 BCADRP C[C@]1(C[NH2+][C@@H]2CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC000647548058 384750764 /nfs/dbraw/zinc/75/07/64/384750764.db2.gz UAONZJUIJTTWGU-NEPJUHHUSA-N 3 0 223.364 0.718 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000647547911 384751086 /nfs/dbraw/zinc/75/10/86/384751086.db2.gz LDIWNUPNJMKGSZ-TUAOUCFPSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@]1(C[NH2+][C@H]2CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC000647548059 384751468 /nfs/dbraw/zinc/75/14/68/384751468.db2.gz UAONZJUIJTTWGU-NWDGAFQWSA-N 3 0 223.364 0.718 20 0 BCADRP C[C@@H]1CN([C@@H]2C[NH2+]C[C@@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000647547777 384751576 /nfs/dbraw/zinc/75/15/76/384751576.db2.gz DGHXUQNILSYKQO-QNWHQSFQSA-N 2 0 225.380 0.901 20 0 BCADRP C[C@]([NH3+])(C(=O)N1CCC[NH2+]CC1)c1ccccc1 ZINC000052881591 384753585 /nfs/dbraw/zinc/75/35/85/384753585.db2.gz YIHJEZMXJXBMRH-CQSZACIVSA-N 2 0 247.342 0.682 20 0 BCADRP C[C@@H](CNC(=O)[C@](C)([NH3+])c1ccccc1)[NH+](C)C ZINC000052882399 384753864 /nfs/dbraw/zinc/75/38/64/384753864.db2.gz TVYWURHOODISPO-SMDDNHRTSA-N 2 0 249.358 0.927 20 0 BCADRP C[C@H]1C[NH2+]C[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000647552312 384756303 /nfs/dbraw/zinc/75/63/03/384756303.db2.gz QREQBHMVZONOLP-DDHJBXDOSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000309509226 384762204 /nfs/dbraw/zinc/76/22/04/384762204.db2.gz WVNVYWRJNIDZGF-CMPLNLGQSA-N 2 0 211.353 0.655 20 0 BCADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423207124 384762508 /nfs/dbraw/zinc/76/25/08/384762508.db2.gz RBEAIIWDLOKNPE-STQMWFEESA-N 2 0 225.380 0.916 20 0 BCADRP C[C@H]([NH3+])CN1CCC([NH+]2CCCC2)CC1 ZINC000107213671 384780251 /nfs/dbraw/zinc/78/02/51/384780251.db2.gz ZXTKMBAIKZTWNR-NSHDSACASA-N 2 0 211.353 0.894 20 0 BCADRP C[NH2+]CC(=O)NCc1cn2c(n1)CCCC2 ZINC000083935044 384817638 /nfs/dbraw/zinc/81/76/38/384817638.db2.gz HHZCMRYLFUSQME-UHFFFAOYSA-N 2 0 222.292 0.055 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368381333 384824456 /nfs/dbraw/zinc/82/44/56/384824456.db2.gz XNVNLUYSKNLHMS-JQWIXIFHSA-N 2 0 239.363 0.762 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368381337 384825429 /nfs/dbraw/zinc/82/54/29/384825429.db2.gz XNVNLUYSKNLHMS-PWSUYJOCSA-N 2 0 239.363 0.762 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)NCCC[NH2+]C1CC1 ZINC000648203182 384831130 /nfs/dbraw/zinc/83/11/30/384831130.db2.gz SIPKCQYKKDGVHW-SNVBAGLBSA-N 2 0 225.336 0.244 20 0 BCADRP CCOCC[NH+]1CCC(C[NH2+]C)CC1 ZINC000051756227 384831578 /nfs/dbraw/zinc/83/15/78/384831578.db2.gz LEWKMMBZAWEBFK-UHFFFAOYSA-N 2 0 200.326 0.954 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C[NH2+]CC1CC1 ZINC000648188125 384800628 /nfs/dbraw/zinc/80/06/28/384800628.db2.gz TWBMOAOEQBVWKZ-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CC(C)(C)[NH3+] ZINC000648188071 384800825 /nfs/dbraw/zinc/80/08/25/384800825.db2.gz QFZXLKPTJSNFPZ-YUMQZZPRSA-N 2 0 201.314 0.356 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000648190278 384803415 /nfs/dbraw/zinc/80/34/15/384803415.db2.gz NFIYJZGCNCOKDS-DJLDLDEBSA-N 2 0 213.325 0.226 20 0 BCADRP COC[C@H](C)CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000220397179 384806081 /nfs/dbraw/zinc/80/60/81/384806081.db2.gz KMRCRNQSCJDQPU-GRYCIOLGSA-N 2 0 212.337 0.953 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158918463 384812877 /nfs/dbraw/zinc/81/28/77/384812877.db2.gz XCNSGLJVZNJBTF-MDZLAQPJSA-N 2 0 239.363 0.572 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648159263 384839129 /nfs/dbraw/zinc/83/91/29/384839129.db2.gz QQQBAPAMYJKKKX-UTUOFQBUSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648205975 384840704 /nfs/dbraw/zinc/84/07/04/384840704.db2.gz QARKMDDPLJNLDA-SNVBAGLBSA-N 2 0 239.363 0.905 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648205934 384840776 /nfs/dbraw/zinc/84/07/76/384840776.db2.gz PATMRZPAYXYNPJ-RKDXNWHRSA-N 2 0 211.309 0.125 20 0 BCADRP C[NH2+]CCCN(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000314176223 384846196 /nfs/dbraw/zinc/84/61/96/384846196.db2.gz LWFRIQHNRZEFMA-BETUJISGSA-N 2 0 243.395 0.637 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648209975 384849015 /nfs/dbraw/zinc/84/90/15/384849015.db2.gz GRRAGKXUNFXWPE-DCAQKATOSA-N 2 0 239.363 0.761 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000335198416 384849849 /nfs/dbraw/zinc/84/98/49/384849849.db2.gz WDCKRBVKSBDJBG-UHFFFAOYSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[NH2+]C12CCCC2)[C@H](C)[NH3+] ZINC000648209978 384850525 /nfs/dbraw/zinc/85/05/25/384850525.db2.gz GRRAGKXUNFXWPE-VWYCJHECSA-N 2 0 239.363 0.761 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000648211189 384863390 /nfs/dbraw/zinc/86/33/90/384863390.db2.gz KQSQAZDBDRIFNF-AXFHLTTASA-N 2 0 237.347 0.515 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000491846575 384894515 /nfs/dbraw/zinc/89/45/15/384894515.db2.gz LFCBKCLXGPMVPW-ALCCZGGFSA-N 2 0 239.363 0.658 20 0 BCADRP COC[C@@H](C)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000251001566 384912074 /nfs/dbraw/zinc/91/20/74/384912074.db2.gz PRMZYXSKTLODAM-MNOVXSKESA-N 2 0 200.326 0.953 20 0 BCADRP COC[C@H](C)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000251001568 384912104 /nfs/dbraw/zinc/91/21/04/384912104.db2.gz PRMZYXSKTLODAM-QWRGUYRKSA-N 2 0 200.326 0.953 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000156621213 384913585 /nfs/dbraw/zinc/91/35/85/384913585.db2.gz XVVOMLXIFLVAMB-QWRGUYRKSA-N 2 0 239.363 0.524 20 0 BCADRP CC1(NC(=O)CC2(C[NH3+])CC2)CC[NH2+]CC1 ZINC000564840458 384913658 /nfs/dbraw/zinc/91/36/58/384913658.db2.gz IPNDFLNPABISTC-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000156646226 384915408 /nfs/dbraw/zinc/91/54/08/384915408.db2.gz ZFKIVRKPWGZNRA-RYUDHWBXSA-N 2 0 241.379 0.770 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000187171231 384916301 /nfs/dbraw/zinc/91/63/01/384916301.db2.gz RQCDLAHTRBWOJY-VIFPVBQESA-N 2 0 234.303 0.393 20 0 BCADRP CCCCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000644512512 384922348 /nfs/dbraw/zinc/92/23/48/384922348.db2.gz QATKJIHJOYVFDP-ZDUSSCGKSA-N 2 0 243.395 0.375 20 0 BCADRP CN(Cc1cccc2c1NCC2)C[C@H](O)C[NH3+] ZINC000566230081 384959640 /nfs/dbraw/zinc/95/96/40/384959640.db2.gz GAJRURCRXCEQCG-GFCCVEGCSA-N 2 0 235.331 0.406 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000647605612 384933413 /nfs/dbraw/zinc/93/34/13/384933413.db2.gz BEQQVWLURONNAP-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP Cc1nccn1C[C@@H](C)C[NH2+]C[C@@H](C)O ZINC000644525337 384935961 /nfs/dbraw/zinc/93/59/61/384935961.db2.gz QIOHWYNSXMKKAB-VHSXEESVSA-N 2 0 211.309 0.798 20 0 BCADRP CC(C)[C@@H](C(=O)N1CCC(C[NH3+])CC1)[C@@H](C)[NH3+] ZINC000564947015 384964784 /nfs/dbraw/zinc/96/47/84/384964784.db2.gz HZDBEYDVQXZXSZ-ZYHUDNBSSA-N 2 0 241.379 0.803 20 0 BCADRP CC[C@H](O)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000644562558 384968690 /nfs/dbraw/zinc/96/86/90/384968690.db2.gz ZPULBAIOFBYVEJ-LBPRGKRZSA-N 2 0 243.395 0.373 20 0 BCADRP CCSCC[NH2+]C[C@H]1CN(C)CCN1C ZINC000128966028 384971485 /nfs/dbraw/zinc/97/14/85/384971485.db2.gz OWBQVIFMRMVSGS-NSHDSACASA-N 2 0 231.409 0.575 20 0 BCADRP C[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000339194047 384971730 /nfs/dbraw/zinc/97/17/30/384971730.db2.gz QXWQPMHMAGQKTA-YIBTVLSRSA-N 2 0 212.337 0.924 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000518346138 384974247 /nfs/dbraw/zinc/97/42/47/384974247.db2.gz UDYLQSOSYNLNOM-GHMZBOCLSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@]1(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CCC[NH2+]1 ZINC000518360964 384977966 /nfs/dbraw/zinc/97/79/66/384977966.db2.gz HWXKUTMCOLSZBJ-MEWQQHAOSA-N 2 0 237.347 0.324 20 0 BCADRP CCCCNC(=O)CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000310337598 384995347 /nfs/dbraw/zinc/99/53/47/384995347.db2.gz NENBILQDITWMAM-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CN1CCOCC1 ZINC000310344216 384995513 /nfs/dbraw/zinc/99/55/13/384995513.db2.gz FNTXIJDTVXKPIG-STQMWFEESA-N 2 0 243.395 0.814 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000037041683 384997413 /nfs/dbraw/zinc/99/74/13/384997413.db2.gz AVJZRQMQIBXMFQ-GFCCVEGCSA-N 2 0 241.379 0.959 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000310354567 385001606 /nfs/dbraw/zinc/00/16/06/385001606.db2.gz QIZHPEDQUPDZNR-FDYHWXHSSA-N 2 0 244.379 0.702 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000310354570 385002630 /nfs/dbraw/zinc/00/26/30/385002630.db2.gz QIZHPEDQUPDZNR-WUHRBBMRSA-N 2 0 244.379 0.702 20 0 BCADRP C[NH+](C)C[C@@](C)(O)CNCc1ccns1 ZINC000404445376 385005753 /nfs/dbraw/zinc/00/57/53/385005753.db2.gz DRZBDAFHHNGAIQ-JTQLQIEISA-N 2 0 229.349 0.545 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000226399613 385006350 /nfs/dbraw/zinc/00/63/50/385006350.db2.gz XOAAQPXVQOIIHW-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)[N@H+](C)C1CC1 ZINC000226398338 385006708 /nfs/dbraw/zinc/00/67/08/385006708.db2.gz NXFLQGNHFNVOAH-ZYHUDNBSSA-N 2 0 239.363 0.727 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000226394902 385007252 /nfs/dbraw/zinc/00/72/52/385007252.db2.gz AUGYUSCLOPLOFF-PWSUYJOCSA-N 2 0 227.352 0.714 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H](C)C[NH2+]C)C1CC1 ZINC000226397957 385007344 /nfs/dbraw/zinc/00/73/44/385007344.db2.gz FDMANNNGJLBVLK-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000226397328 385008053 /nfs/dbraw/zinc/00/80/53/385008053.db2.gz PPQRAZYIAGHRTB-GFCCVEGCSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000648148611 385009047 /nfs/dbraw/zinc/00/90/47/385009047.db2.gz ROKPEOJUBMMNQI-VIFPVBQESA-N 2 0 227.352 0.761 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H](C)C[NH2+]C)C1CC1 ZINC000226397947 385009044 /nfs/dbraw/zinc/00/90/44/385009044.db2.gz FDMANNNGJLBVLK-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP CC[N@H+](CCNC(=O)CCC[NH2+]C)C1CC1 ZINC000226397395 385009399 /nfs/dbraw/zinc/00/93/99/385009399.db2.gz XUORLBGELLCRGP-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP Cn1ccnc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336309120 385011189 /nfs/dbraw/zinc/01/11/89/385011189.db2.gz CIZGBSNOTYDKRL-UHFFFAOYSA-N 2 0 234.347 0.996 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)[C@@H](C)[NH3+])C[NH+]1CCCC1 ZINC000156898355 385011683 /nfs/dbraw/zinc/01/16/83/385011683.db2.gz RUWQISKFJFAMHQ-GRYCIOLGSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1C ZINC000226403436 385012338 /nfs/dbraw/zinc/01/23/38/385012338.db2.gz XFKIVMXRIBYQGM-WZRBSPASSA-N 2 0 239.363 0.585 20 0 BCADRP CC1(C)[C@H]([NH2+]CCCN2CCOCC2)C[C@@H]1[NH3+] ZINC000404758761 385051134 /nfs/dbraw/zinc/05/11/34/385051134.db2.gz BBAIKYZUXFMECL-NWDGAFQWSA-N 2 0 241.379 0.424 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000404758758 385052040 /nfs/dbraw/zinc/05/20/40/385052040.db2.gz BBAIKYZUXFMECL-NEPJUHHUSA-N 2 0 241.379 0.424 20 0 BCADRP Cc1cnn(CC[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000404787474 385061541 /nfs/dbraw/zinc/06/15/41/385061541.db2.gz PYGUMWIVCKBTSA-MNOVXSKESA-N 2 0 222.336 0.907 20 0 BCADRP Cc1cnn(CC[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000404787479 385062176 /nfs/dbraw/zinc/06/21/76/385062176.db2.gz PYGUMWIVCKBTSA-WDEREUQCSA-N 2 0 222.336 0.907 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000569354216 385063001 /nfs/dbraw/zinc/06/30/01/385063001.db2.gz GEZDYPGFMTUNJJ-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC000646931294 385074227 /nfs/dbraw/zinc/07/42/27/385074227.db2.gz ZXTORLXLPOOHKL-NEPJUHHUSA-N 2 0 239.363 0.491 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)CC[C@@H]1[NH3+] ZINC000647005503 385141457 /nfs/dbraw/zinc/14/14/57/385141457.db2.gz AXSDTHJKXVMPIU-USWWRNFRSA-N 2 0 239.363 0.700 20 0 BCADRP C[NH2+]CCCC(=O)NCCC1CC[NH+](C)CC1 ZINC000157217472 385112794 /nfs/dbraw/zinc/11/27/94/385112794.db2.gz KZGYLOOGWHVCHU-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000646983403 385115253 /nfs/dbraw/zinc/11/52/53/385115253.db2.gz PUGJVKLINDWHSO-SFYZADRCSA-N 2 0 235.278 0.227 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646988372 385117453 /nfs/dbraw/zinc/11/74/53/385117453.db2.gz NWKBEIKDGFDPCV-AXFHLTTASA-N 2 0 225.336 0.243 20 0 BCADRP O=C([C@@H]1CCCC[NH2+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000157253563 385117944 /nfs/dbraw/zinc/11/79/44/385117944.db2.gz RTISIMNQMCYPQL-RYUDHWBXSA-N 2 0 237.347 0.435 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646988434 385119659 /nfs/dbraw/zinc/11/96/59/385119659.db2.gz PRGZMDKXNOQSJY-WDEREUQCSA-N 2 0 227.352 0.633 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646988415 385119728 /nfs/dbraw/zinc/11/97/28/385119728.db2.gz PBPHBWOQKLNEDF-NXEZZACHSA-N 2 0 225.336 0.243 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646988432 385120506 /nfs/dbraw/zinc/12/05/06/385120506.db2.gz PRGZMDKXNOQSJY-MNOVXSKESA-N 2 0 227.352 0.633 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000646988679 385121577 /nfs/dbraw/zinc/12/15/77/385121577.db2.gz XTRGNXVJPGGKPQ-NTZNESFSSA-N 2 0 237.347 0.244 20 0 BCADRP [NH3+]CCC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000646990532 385125340 /nfs/dbraw/zinc/12/53/40/385125340.db2.gz NFFSBRLHNZBILJ-UHFFFAOYSA-N 2 0 219.288 0.255 20 0 BCADRP CC1([NH3+])CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000646991647 385125611 /nfs/dbraw/zinc/12/56/11/385125611.db2.gz JEAIEJADUCKDOG-UHFFFAOYSA-N 2 0 239.363 0.845 20 0 BCADRP c1cnn(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000310589665 385125982 /nfs/dbraw/zinc/12/59/82/385125982.db2.gz YKXXWASOPJTDND-BETUJISGSA-N 2 0 234.347 0.815 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC000646991444 385126360 /nfs/dbraw/zinc/12/63/60/385126360.db2.gz AIIMCUOLNHNLKB-NXEZZACHSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000646998061 385128243 /nfs/dbraw/zinc/12/82/43/385128243.db2.gz FSVYRNILOOPCIB-NNYUYHANSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000646998094 385129154 /nfs/dbraw/zinc/12/91/54/385129154.db2.gz LGXNFZWKTPVBJH-ZDCRXTMVSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000646998046 385129341 /nfs/dbraw/zinc/12/93/41/385129341.db2.gz DWULSIDMQARNRE-SCVCMEIPSA-N 2 0 225.336 0.372 20 0 BCADRP CC1([NH3+])CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000646992029 385129409 /nfs/dbraw/zinc/12/94/09/385129409.db2.gz WYNTXJWCUXPWIQ-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000646998186 385132407 /nfs/dbraw/zinc/13/24/07/385132407.db2.gz UIMYXVDWPUCYOF-KXUCPTDWSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000647001749 385137819 /nfs/dbraw/zinc/13/78/19/385137819.db2.gz UPZHEKNMAPJAMQ-VWYCJHECSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000647001842 385138147 /nfs/dbraw/zinc/13/81/47/385138147.db2.gz AVBJOUZARDYZMP-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H]1CN(C(=O)CCC[NH2+]C)CC[C@@H]1[NH3+] ZINC000647015364 385140023 /nfs/dbraw/zinc/14/00/23/385140023.db2.gz OOKJLBZJLFZRDT-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@H]1CN(C(=O)CC2(C[NH3+])CC2)CC[C@H]1[NH3+] ZINC000647005966 385140261 /nfs/dbraw/zinc/14/02/61/385140261.db2.gz IPTWFIXPRYLSMZ-WDEREUQCSA-N 2 0 239.363 0.701 20 0 BCADRP CC[C@@H]1CN(C(=O)CC[C@H](C)[NH3+])CC[C@H]1[NH3+] ZINC000647014956 385140283 /nfs/dbraw/zinc/14/02/83/385140283.db2.gz DHDKMPVDWTURGS-HBNTYKKESA-N 2 0 227.352 0.700 20 0 BCADRP CC[C@@H]1CN(C(=O)CC(C)(C)[NH3+])CC[C@H]1[NH3+] ZINC000647015093 385140416 /nfs/dbraw/zinc/14/04/16/385140416.db2.gz HRXSEAQAJCQSJS-NXEZZACHSA-N 2 0 227.352 0.700 20 0 BCADRP CC[C@H]1CN(C(=O)CC[NH2+]C(C)C)CC[C@H]1[NH3+] ZINC000647015647 385140658 /nfs/dbraw/zinc/14/06/58/385140658.db2.gz WQXAWSYHIJBFKV-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H]1CN(C(=O)CC2([NH3+])CCC2)CC[C@@H]1[NH3+] ZINC000647015495 385140919 /nfs/dbraw/zinc/14/09/19/385140919.db2.gz SOOXHBPQVLSNDT-QWRGUYRKSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)CC[N@@H+]1C ZINC000559872478 385201722 /nfs/dbraw/zinc/20/17/22/385201722.db2.gz YWIUPJCGHNAPEE-XQHKEYJVSA-N 2 0 242.363 0.599 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)CC1([NH3+])CCC1 ZINC000647051406 385186950 /nfs/dbraw/zinc/18/69/50/385186950.db2.gz YPJZDVIIVHBTPG-JTQLQIEISA-N 2 0 227.352 0.892 20 0 BCADRP CCCNC(=O)CN(C)C1CC[NH+](CC)CC1 ZINC000157468302 385187563 /nfs/dbraw/zinc/18/75/63/385187563.db2.gz AFJRXIPCNOBUTE-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@@H]([NH3+])CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000107213669 385188385 /nfs/dbraw/zinc/18/83/85/385188385.db2.gz QYXYYUCJAOCEPR-NEPJUHHUSA-N 2 0 211.353 0.894 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C[NH2+]C)C1 ZINC000246545000 385190382 /nfs/dbraw/zinc/19/03/82/385190382.db2.gz SPQPQRHEZKMQRB-NEPJUHHUSA-N 2 0 241.379 0.642 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000559873087 385202465 /nfs/dbraw/zinc/20/24/65/385202465.db2.gz ZIRJAKPKAYOLEH-FVCCEPFGSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647055425 385195880 /nfs/dbraw/zinc/19/58/80/385195880.db2.gz YWZCZXKBPKJOEO-GARJFASQSA-N 2 0 237.347 0.243 20 0 BCADRP [NH3+][C@@H](C(=O)N[C@H]1CC12CC[NH2+]CC2)C1CCC1 ZINC000647056275 385197790 /nfs/dbraw/zinc/19/77/90/385197790.db2.gz YOIIVJCVFVNNCH-WDEREUQCSA-N 2 0 237.347 0.372 20 0 BCADRP CC[C@@H]1CN(C(=O)C(C)(C)C[NH3+])CC[C@H]1[NH3+] ZINC000647014794 385146685 /nfs/dbraw/zinc/14/66/85/385146685.db2.gz CGKBNNRKENCEMS-NXEZZACHSA-N 2 0 227.352 0.557 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH3+] ZINC000647022098 385152717 /nfs/dbraw/zinc/15/27/17/385152717.db2.gz XJQMNUHRLBBYRC-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+]CCCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479899 385154374 /nfs/dbraw/zinc/15/43/74/385154374.db2.gz XWDFMLIJJBCNGA-VXGBXAGGSA-N 2 0 211.353 0.799 20 0 BCADRP C[C@H]([NH3+])CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000647023172 385155319 /nfs/dbraw/zinc/15/53/19/385155319.db2.gz RHDYNSMAIZRFHF-VVZSVHDDSA-N 2 0 239.363 0.603 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000647022787 385155566 /nfs/dbraw/zinc/15/55/66/385155566.db2.gz GFEGIYQBZKCYTO-GARJFASQSA-N 2 0 227.352 0.748 20 0 BCADRP [NH3+]CCCCC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000647643902 385158690 /nfs/dbraw/zinc/15/86/90/385158690.db2.gz ZGIFDLYMXOQGOS-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449758254 385158873 /nfs/dbraw/zinc/15/88/73/385158873.db2.gz ZPNKYRJYMNKPQB-VWYCJHECSA-N 2 0 239.363 0.631 20 0 BCADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000647054924 385200532 /nfs/dbraw/zinc/20/05/32/385200532.db2.gz CUYMINXLVRNXMH-JTNHKYCSSA-N 2 0 249.358 0.244 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000647026806 385160343 /nfs/dbraw/zinc/16/03/43/385160343.db2.gz VYYNACVNESVQTN-CMPLNLGQSA-N 2 0 239.363 0.701 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000647026414 385161054 /nfs/dbraw/zinc/16/10/54/385161054.db2.gz QZSYIVGRKMCROX-JTQLQIEISA-N 2 0 227.352 0.701 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000647030212 385163731 /nfs/dbraw/zinc/16/37/31/385163731.db2.gz JBSKSOXJCQRZIC-WCQYABFASA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H](C[NH3+])C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000367495878 385165966 /nfs/dbraw/zinc/16/59/66/385165966.db2.gz AOUJFQMTKKZYLM-SECBINFHSA-N 2 0 233.315 0.866 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000165642367 385168417 /nfs/dbraw/zinc/16/84/17/385168417.db2.gz YHWOKKLATQBRQR-YPMHNXCESA-N 2 0 249.358 0.623 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000566249613 385170487 /nfs/dbraw/zinc/17/04/87/385170487.db2.gz ZGYFGRPXYVLCOY-QJPTWQEYSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)[NH+](C)C ZINC000647034765 385171337 /nfs/dbraw/zinc/17/13/37/385171337.db2.gz XDYJGOLORQPJSJ-WCQYABFASA-N 2 0 239.363 0.491 20 0 BCADRP CN(C)C(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404911746 385172679 /nfs/dbraw/zinc/17/26/79/385172679.db2.gz UVILAPUDEOGLOR-RKDXNWHRSA-N 2 0 213.325 0.180 20 0 BCADRP CN(C)C(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404911743 385173165 /nfs/dbraw/zinc/17/31/65/385173165.db2.gz UVILAPUDEOGLOR-DTWKUNHWSA-N 2 0 213.325 0.180 20 0 BCADRP CN(C)C(=O)CC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000404911745 385173411 /nfs/dbraw/zinc/17/34/11/385173411.db2.gz UVILAPUDEOGLOR-IUCAKERBSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)CC1([NH3+])CCC1 ZINC000647064611 385208995 /nfs/dbraw/zinc/20/89/95/385208995.db2.gz IBVAXOBPTVBMRH-SECBINFHSA-N 2 0 213.325 0.502 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC[NH2+]1 ZINC000259318537 385211581 /nfs/dbraw/zinc/21/15/81/385211581.db2.gz XEYWCNUWCVWWBF-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)CCC[NH3+] ZINC000647062720 385213059 /nfs/dbraw/zinc/21/30/59/385213059.db2.gz VYGXNBMHMFADFS-NXEZZACHSA-N 2 0 215.341 0.603 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000647090298 385256237 /nfs/dbraw/zinc/25/62/37/385256237.db2.gz JJAXVGMTPZHLJW-PWSUYJOCSA-N 2 0 225.336 0.054 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647068674 385215923 /nfs/dbraw/zinc/21/59/23/385215923.db2.gz GZCSMBSHFAABME-LLHIFLOGSA-N 2 0 239.363 0.474 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)CC1([NH3+])CCC1)C(F)F ZINC000647072044 385217996 /nfs/dbraw/zinc/21/79/96/385217996.db2.gz YHWLIQXMIWXPKG-SSDOTTSWSA-N 2 0 235.278 0.357 20 0 BCADRP C[C@H]1CC[N@H+](CCn2cccn2)C[C@@H]1C[NH3+] ZINC000164647994 385226117 /nfs/dbraw/zinc/22/61/17/385226117.db2.gz PAECRHUXAXVWOQ-RYUDHWBXSA-N 2 0 222.336 0.800 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C[NH+](C)C)CC[NH2+]1 ZINC000062571241 385229511 /nfs/dbraw/zinc/22/95/11/385229511.db2.gz VXVBQUSPWMVYDL-SNVBAGLBSA-N 2 0 213.325 0.004 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000647077364 385230500 /nfs/dbraw/zinc/23/05/00/385230500.db2.gz WHILQMHNWWVNFL-ZJUUUORDSA-N 2 0 213.325 0.372 20 0 BCADRP [NH3+]C1(CC(=O)NCCC[C@@H]2CCC[NH2+]2)CCC1 ZINC000647077296 385231275 /nfs/dbraw/zinc/23/12/75/385231275.db2.gz MSIMRNPLNYVAEE-NSHDSACASA-N 2 0 239.363 0.906 20 0 BCADRP C[C@H]1CN(C)CC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000108356899 385232622 /nfs/dbraw/zinc/23/26/22/385232622.db2.gz SRCRPHLQRLQJJG-RYUDHWBXSA-N 2 0 211.353 0.622 20 0 BCADRP C[NH+](C)C[C@H]1CCCCN1C(=O)CCC[NH3+] ZINC000405003134 385233141 /nfs/dbraw/zinc/23/31/41/385233141.db2.gz ZMCFLMUJKOUPRH-LLVKDONJSA-N 2 0 227.352 0.668 20 0 BCADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1C[NH2+]CCO1 ZINC000647076282 385233710 /nfs/dbraw/zinc/23/37/10/385233710.db2.gz FURXHZHZCDLPIP-LBPRGKRZSA-N 2 0 247.298 0.217 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)C1CC[NH2+]CC1 ZINC000647081084 385240396 /nfs/dbraw/zinc/24/03/96/385240396.db2.gz FMTJBFUYUXADDS-LLVKDONJSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)o1 ZINC000647082947 385242372 /nfs/dbraw/zinc/24/23/72/385242372.db2.gz VKYMTNQQMBVALH-DTWKUNHWSA-N 2 0 237.303 0.596 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000647082766 385243050 /nfs/dbraw/zinc/24/30/50/385243050.db2.gz GTSNBGQCRBOTGE-IUCAKERBSA-N 2 0 213.325 0.357 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000647082839 385243133 /nfs/dbraw/zinc/24/31/33/385243133.db2.gz NMYIYQBXFPMBFJ-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000647082754 385243372 /nfs/dbraw/zinc/24/33/72/385243372.db2.gz GJCVYTWPCWDFNT-VHSXEESVSA-N 2 0 225.336 0.502 20 0 BCADRP CN(C(=O)C[C@@H]1CC[NH2+]C1)[C@H](C[NH3+])C1CC1 ZINC000647085523 385248467 /nfs/dbraw/zinc/24/84/67/385248467.db2.gz LRMMHFNMUPBCOO-GXSJLCMTSA-N 2 0 225.336 0.182 20 0 BCADRP CN(C(=O)CC(C)(C)[NH3+])[C@H](C[NH3+])C1CC1 ZINC000647085506 385249062 /nfs/dbraw/zinc/24/90/62/385249062.db2.gz IBKVPTBBMUDTEY-SECBINFHSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)C[C@@]1(C)C[NH3+] ZINC000647086506 385250101 /nfs/dbraw/zinc/25/01/01/385250101.db2.gz WHVSYDQUYDFCMH-GIPNMCIBSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)C[C@H]1C[NH3+] ZINC000647086839 385251271 /nfs/dbraw/zinc/25/12/71/385251271.db2.gz MVCSJZCOMXSISE-GMTAPVOTSA-N 2 0 239.363 0.428 20 0 BCADRP CN(CC[NH3+])C(=O)CCC1CC[NH2+]CC1 ZINC000647088596 385253458 /nfs/dbraw/zinc/25/34/58/385253458.db2.gz BUDUJGXPIMVDCL-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058234 385203100 /nfs/dbraw/zinc/20/31/00/385203100.db2.gz XAVWVKFAMPRRFQ-GUBZILKMSA-N 2 0 231.315 0.191 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000167466809 385318400 /nfs/dbraw/zinc/31/84/00/385318400.db2.gz IATKBIPGRJJALH-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000647095553 385265679 /nfs/dbraw/zinc/26/56/79/385265679.db2.gz ZOMHECMPAKOQLA-SNVBAGLBSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000647094913 385267328 /nfs/dbraw/zinc/26/73/28/385267328.db2.gz DXHDBIXMMBEHCD-GMTAPVOTSA-N 2 0 227.352 0.617 20 0 BCADRP CC[N@H+](CCC(=O)N1CC[NH2+]CC1)CC1CC1 ZINC000069238260 385322582 /nfs/dbraw/zinc/32/25/82/385322582.db2.gz OYYJBGAVZBYGLD-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)CCC[NH3+] ZINC000019507064 385271052 /nfs/dbraw/zinc/27/10/52/385271052.db2.gz SYENLBHDPORGFW-UHFFFAOYSA-N 2 0 215.341 0.429 20 0 BCADRP CCCN(C(=O)C[C@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000189905915 385323086 /nfs/dbraw/zinc/32/30/86/385323086.db2.gz QNWHSOIBGDYYSO-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000333495705 385280232 /nfs/dbraw/zinc/28/02/32/385280232.db2.gz CUNXPRJMOAYIPS-NXEZZACHSA-N 2 0 225.336 0.243 20 0 BCADRP CO[C@H](C[NH2+]CC1(O)CC[NH+](C)CC1)C1CC1 ZINC000400117949 385289631 /nfs/dbraw/zinc/28/96/31/385289631.db2.gz JRZPMGFUWZEHGM-GFCCVEGCSA-N 2 0 242.363 0.458 20 0 BCADRP COCCN(CC[NH+](C)C)C(=O)CCCC[NH3+] ZINC000648152552 385294325 /nfs/dbraw/zinc/29/43/25/385294325.db2.gz DBHIMVQTNGZFSK-UHFFFAOYSA-N 2 0 245.367 0.152 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000164966153 385330582 /nfs/dbraw/zinc/33/05/82/385330582.db2.gz AGCLPOLAJFVIBG-UWVGGRQHSA-N 2 0 229.368 0.674 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000164990139 385333152 /nfs/dbraw/zinc/33/31/52/385333152.db2.gz WAYIDDJVMCZYIP-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000165004119 385334856 /nfs/dbraw/zinc/33/48/56/385334856.db2.gz NOUIRVWBNKXKPU-MNOVXSKESA-N 2 0 229.368 0.818 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000164992384 385334941 /nfs/dbraw/zinc/33/49/41/385334941.db2.gz YTJDKMQWBPUULC-NXEZZACHSA-N 2 0 227.352 0.522 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000643973995 385337707 /nfs/dbraw/zinc/33/77/07/385337707.db2.gz QTQXHLCFWJJPTR-IUCAKERBSA-N 2 0 247.289 0.181 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC[N@H+](C)CC1 ZINC000165055053 385338907 /nfs/dbraw/zinc/33/89/07/385338907.db2.gz DWKBEMISORJQTD-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCC[NH+](C)C ZINC000165017176 385338925 /nfs/dbraw/zinc/33/89/25/385338925.db2.gz YIPVTWGMTMMWPU-IUCAKERBSA-N 2 0 201.314 0.038 20 0 BCADRP C[C@H]([NH3+])C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000165018865 385340477 /nfs/dbraw/zinc/34/04/77/385340477.db2.gz GMCPABWEOTXCMX-TUAOUCFPSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NC1CC[NH+](C)CC1 ZINC000165101455 385349687 /nfs/dbraw/zinc/34/96/87/385349687.db2.gz XQYGFVYQCUFAHS-RKDXNWHRSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[N@H+](C)CCN[C@H]1C[NH+](C)C[C@@H]1C ZINC000309011690 385358563 /nfs/dbraw/zinc/35/85/63/385358563.db2.gz SAEWCUNGVXUYQG-RYUDHWBXSA-N 2 0 213.369 0.866 20 0 BCADRP CC[N@H+](C)CCN[C@@H]1C[NH+](CC)C[C@H]1C ZINC000309048931 385382042 /nfs/dbraw/zinc/38/20/42/385382042.db2.gz PTJMEOKJEVVHGU-VXGBXAGGSA-N 2 0 213.369 0.868 20 0 BCADRP CC(C)[NH+]1CCC([NH2+]C[C@@]2(O)CCOC2)CC1 ZINC000180461683 385390808 /nfs/dbraw/zinc/39/08/08/385390808.db2.gz MHYOILHWAYPZTN-ZDUSSCGKSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCCOCCO)CC[N@@H+]1C ZINC000180241482 385386963 /nfs/dbraw/zinc/38/69/63/385386963.db2.gz RBOUBLHANVZIKD-NEPJUHHUSA-N 2 0 230.352 0.458 20 0 BCADRP CC[C@H]1CN(CC2(C[NH3+])CC2)CC[C@@H]1[NH3+] ZINC000647497406 385406635 /nfs/dbraw/zinc/40/66/35/385406635.db2.gz GRXQPIVHRYNQAK-QWRGUYRKSA-N 2 0 211.353 0.785 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CC2(C)C)[C@H]1C[NH3+] ZINC000644063463 385411953 /nfs/dbraw/zinc/41/19/53/385411953.db2.gz AHMACTRBJBUPMN-VWYCJHECSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000644064496 385413617 /nfs/dbraw/zinc/41/36/17/385413617.db2.gz LLVMXCIMZZBVSL-ZWNOBZJWSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000110374310 385414143 /nfs/dbraw/zinc/41/41/43/385414143.db2.gz UPBDSHCVTWSCDQ-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644065460 385414448 /nfs/dbraw/zinc/41/44/48/385414448.db2.gz PYEMKDRCMVNTDW-CABZTGNLSA-N 2 0 227.352 0.474 20 0 BCADRP CN(CCC[NH3+])C(=O)c1ccc2c[nH+]cn2c1 ZINC000644066153 385414850 /nfs/dbraw/zinc/41/48/50/385414850.db2.gz ISOVEWXRTKGYRD-UHFFFAOYSA-N 2 0 232.287 0.755 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000259065359 385439742 /nfs/dbraw/zinc/43/97/42/385439742.db2.gz HSIFPENKFASMMJ-NSHDSACASA-N 2 0 241.379 0.772 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000644089819 385441859 /nfs/dbraw/zinc/44/18/59/385441859.db2.gz NKDDZMNYBDDXSR-RKDXNWHRSA-N 2 0 247.289 0.052 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)O)CC[N@@H+]1C ZINC000156296452 385445126 /nfs/dbraw/zinc/44/51/26/385445126.db2.gz JVTARRACACTBAJ-VHSXEESVSA-N 2 0 200.326 0.830 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000194857399 385451376 /nfs/dbraw/zinc/45/13/76/385451376.db2.gz OYGXETZJAJSNNQ-NXEZZACHSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000644096822 385456829 /nfs/dbraw/zinc/45/68/29/385456829.db2.gz XDDZRXGRWOWXBL-GARJFASQSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644096821 385457073 /nfs/dbraw/zinc/45/70/73/385457073.db2.gz XDDZRXGRWOWXBL-DCAQKATOSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCCC[NH2+]1 ZINC000195272025 385466177 /nfs/dbraw/zinc/46/61/77/385466177.db2.gz WBFSHOHMWRULHI-LOWVWBTDSA-N 2 0 237.347 0.196 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000644099502 385472843 /nfs/dbraw/zinc/47/28/43/385472843.db2.gz JTEBNOIRPPANNA-MNOVXSKESA-N 2 0 237.347 0.337 20 0 BCADRP CC(C)(C[NH3+])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000644102483 385472980 /nfs/dbraw/zinc/47/29/80/385472980.db2.gz KXNXQJZCGNKFTL-UHFFFAOYSA-N 2 0 248.330 0.651 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000364498519 385473580 /nfs/dbraw/zinc/47/35/80/385473580.db2.gz XHJODOOQSGZXNI-MNOVXSKESA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)[C@H](CO)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000309204495 385479475 /nfs/dbraw/zinc/47/94/75/385479475.db2.gz AWMXYPZIGFNNQN-RYUDHWBXSA-N 2 0 230.352 0.048 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000257675141 385484507 /nfs/dbraw/zinc/48/45/07/385484507.db2.gz HKVQMEPZRSGTNU-VXGBXAGGSA-N 2 0 239.363 0.444 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000257669585 385484566 /nfs/dbraw/zinc/48/45/66/385484566.db2.gz GCQDWFSUESXWOW-WDEREUQCSA-N 2 0 225.336 0.278 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000257753625 385496108 /nfs/dbraw/zinc/49/61/08/385496108.db2.gz ZJJNCMUDZBDKDS-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H](C)C[NH3+] ZINC000309250112 385499444 /nfs/dbraw/zinc/49/94/44/385499444.db2.gz DQJKBWTZBCSHNU-UWVGGRQHSA-N 2 0 215.341 0.413 20 0 BCADRP O=C(N1CC[C@@]2(C1)CCC[NH2+]C2)[C@]12C[C@H]1CC[NH2+]2 ZINC000644128379 385505357 /nfs/dbraw/zinc/50/53/57/385505357.db2.gz FLPPWXOGCIZYBO-XBFCOCLRSA-N 2 0 249.358 0.341 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000644130360 385510255 /nfs/dbraw/zinc/51/02/55/385510255.db2.gz BQLGSYDNQSFZJH-BXKDBHETSA-N 2 0 225.336 0.182 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000644131447 385511566 /nfs/dbraw/zinc/51/15/66/385511566.db2.gz FBTNMXCYUFAORF-UWVGGRQHSA-N 2 0 239.363 0.489 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000644132349 385513081 /nfs/dbraw/zinc/51/30/81/385513081.db2.gz QIHHTTUHFLYHQJ-WDEREUQCSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+]C1(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000644132167 385514031 /nfs/dbraw/zinc/51/40/31/385514031.db2.gz MSIJVWOHJYGHRG-VIFPVBQESA-N 2 0 211.309 0.126 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000644132346 385514134 /nfs/dbraw/zinc/51/41/34/385514134.db2.gz QIHHTTUHFLYHQJ-GHMZBOCLSA-N 2 0 239.363 0.633 20 0 BCADRP COC1(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)CCCC1 ZINC000318931464 385522019 /nfs/dbraw/zinc/52/20/19/385522019.db2.gz AKRFKFOTJNHIBI-LBPRGKRZSA-N 2 0 242.363 0.995 20 0 BCADRP COC1(C[N@@H+]2CCCO[C@H](C[NH3+])C2)CCCC1 ZINC000318931463 385522843 /nfs/dbraw/zinc/52/28/43/385522843.db2.gz AKRFKFOTJNHIBI-GFCCVEGCSA-N 2 0 242.363 0.995 20 0 BCADRP [NH3+]CC1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCCC1 ZINC000644141904 385524175 /nfs/dbraw/zinc/52/41/75/385524175.db2.gz LLZWSEUHMKFMEG-UWVGGRQHSA-N 2 0 243.326 0.322 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000644142163 385526616 /nfs/dbraw/zinc/52/66/16/385526616.db2.gz DMRWPVCRGZNCCK-XWLWVQCSSA-N 2 0 243.326 0.191 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H](C)[NH3+] ZINC000644142294 385526915 /nfs/dbraw/zinc/52/69/15/385526915.db2.gz MGMLNMPBVYQWDC-NAKRPEOUSA-N 2 0 245.342 0.422 20 0 BCADRP CC[C@@H](C(N)=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000309386263 385559962 /nfs/dbraw/zinc/55/99/62/385559962.db2.gz SEOICCAIBVWAQN-JQWIXIFHSA-N 2 0 225.336 0.278 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000309474410 385603630 /nfs/dbraw/zinc/60/36/30/385603630.db2.gz RPYRHMRBQRAHPP-AEJSXWLSSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@H](CCO)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000647908988 385605161 /nfs/dbraw/zinc/60/51/61/385605161.db2.gz DGNHTDAXKBATRH-LLVKDONJSA-N 2 0 244.379 0.582 20 0 BCADRP CC[C@]1(C(=O)NCC[C@@H](C)[NH3+])CCC[NH2+]1 ZINC000184074375 385584024 /nfs/dbraw/zinc/58/40/24/385584024.db2.gz XLBUWFBQSHUONK-MWLCHTKSSA-N 2 0 213.325 0.372 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000107891100 385590588 /nfs/dbraw/zinc/59/05/88/385590588.db2.gz FKQOKSXMQVYUAM-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP CN(C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000309495162 385616150 /nfs/dbraw/zinc/61/61/50/385616150.db2.gz YZCHDTQHCRAAOU-NEPJUHHUSA-N 2 0 228.336 0.162 20 0 BCADRP C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@H]1CCC[NH2+]1 ZINC000414849163 385626062 /nfs/dbraw/zinc/62/60/62/385626062.db2.gz QWACZJDYBAKGON-GRYCIOLGSA-N 2 0 211.353 0.859 20 0 BCADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCO)CC1 ZINC000337342108 385609324 /nfs/dbraw/zinc/60/93/24/385609324.db2.gz VVICYJHWXBVWQV-UHFFFAOYSA-N 2 0 243.395 0.327 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000309516535 385648752 /nfs/dbraw/zinc/64/87/52/385648752.db2.gz YWEZJXWSJPGVPV-UTLUCORTSA-N 2 0 211.309 0.077 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000337433579 385657256 /nfs/dbraw/zinc/65/72/56/385657256.db2.gz BMXSCUASBPLHGH-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000647724545 385657215 /nfs/dbraw/zinc/65/72/15/385657215.db2.gz ROPDXXPOCKJGJC-ROHXPCBUSA-N 2 0 237.347 0.241 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NC1CCC([NH3+])CC1 ZINC000647726540 385678344 /nfs/dbraw/zinc/67/83/44/385678344.db2.gz AEBUFZDLOVIOTI-UHFFFAOYSA-N 2 0 234.303 0.494 20 0 BCADRP CC[NH+](CC)CC(=O)NCC1=CC[N@H+](C)CC1 ZINC000337479823 385679206 /nfs/dbraw/zinc/67/92/06/385679206.db2.gz VXWVQNCOIKJWIP-UHFFFAOYSA-N 2 0 239.363 0.706 20 0 BCADRP OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647792997 385698172 /nfs/dbraw/zinc/69/81/72/385698172.db2.gz HEJSUWIEEOUPPI-ODXJTPSBSA-N 2 0 236.359 0.901 20 0 BCADRP C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)C(=O)NCCF ZINC000337563412 385711096 /nfs/dbraw/zinc/71/10/96/385711096.db2.gz WWAUTRGSGFCNCI-VWYCJHECSA-N 2 0 245.342 0.533 20 0 BCADRP C[NH2+]C[C@H](C)CN[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000414851781 385667523 /nfs/dbraw/zinc/66/75/23/385667523.db2.gz PQVPHMXUQRAQMT-SRVKXCTJSA-N 2 0 213.369 0.962 20 0 BCADRP C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)C(N)=O ZINC000116396182 385729108 /nfs/dbraw/zinc/72/91/08/385729108.db2.gz PICUKZSBPFVEQU-VHSXEESVSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@H](Cn1cccn1)[NH2+]CCC[NH+](C)C ZINC000116399462 385734051 /nfs/dbraw/zinc/73/40/51/385734051.db2.gz OZTVNNRSCCENBT-LLVKDONJSA-N 2 0 210.325 0.813 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH+](C)C ZINC000183461288 385763033 /nfs/dbraw/zinc/76/30/33/385763033.db2.gz OUMJMOZIBJXQDI-UHFFFAOYSA-N 2 0 236.319 0.439 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000186868392 385805889 /nfs/dbraw/zinc/80/58/89/385805889.db2.gz JINWYWZHTFCXPW-MWLCHTKSSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[NH2+]CC1CC1 ZINC000186868353 385806266 /nfs/dbraw/zinc/80/62/66/385806266.db2.gz JINWYWZHTFCXPW-KOLCDFICSA-N 2 0 225.336 0.100 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NC2(C[NH3+])CCCC2)o1 ZINC000647805191 385844024 /nfs/dbraw/zinc/84/40/24/385844024.db2.gz CLBMWHBTOFFTIB-UHFFFAOYSA-N 2 0 237.303 0.740 20 0 BCADRP CN(CCCn1ccnc1)Cc1cn[nH]n1 ZINC000283996139 385845727 /nfs/dbraw/zinc/84/57/27/385845727.db2.gz NCNXBDJTHRXHFZ-UHFFFAOYSA-N 2 0 220.280 0.523 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000262518520 385854522 /nfs/dbraw/zinc/85/45/22/385854522.db2.gz HMWADAHRFQJFED-JBLDHEPKSA-N 2 0 235.331 0.786 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000186809088 385796765 /nfs/dbraw/zinc/79/67/65/385796765.db2.gz NPEHFRDXZYORBE-VWYCJHECSA-N 2 0 225.336 0.243 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H](C)[NH3+] ZINC000638536509 385796693 /nfs/dbraw/zinc/79/66/93/385796693.db2.gz HCPBQYFHEJCCNA-DTWKUNHWSA-N 2 0 216.329 0.006 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)C1CC[NH2+]CC1 ZINC000647840036 385887702 /nfs/dbraw/zinc/88/77/02/385887702.db2.gz NXQNRPIIPFOMFA-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)c1c[nH+]ccc1N ZINC000294728698 385888594 /nfs/dbraw/zinc/88/85/94/385888594.db2.gz DCXPJFCDRFLJQY-SECBINFHSA-N 2 0 236.319 0.911 20 0 BCADRP C[C@H]1C[N@H+](Cc2ccn(C)c(=O)c2)CC[C@H]1[NH3+] ZINC000647844383 385895685 /nfs/dbraw/zinc/89/56/85/385895685.db2.gz RNPDGQFOAFKAJN-CMPLNLGQSA-N 2 0 235.331 0.554 20 0 BCADRP CN(CCC[NH3+])CC(=O)N(C)CC(F)(F)F ZINC000647848060 385898248 /nfs/dbraw/zinc/89/82/48/385898248.db2.gz BFHLZAWLXIPNOF-UHFFFAOYSA-N 2 0 241.257 0.288 20 0 BCADRP Cc1noc(CCC[N@H+](C)CCC[NH3+])n1 ZINC000647847527 385898324 /nfs/dbraw/zinc/89/83/24/385898324.db2.gz QUWTZUIQXZCPLM-UHFFFAOYSA-N 2 0 212.297 0.591 20 0 BCADRP CN(CCC[NH3+])[C@H](C(N)=O)c1ccc(F)cc1 ZINC000647848363 385898374 /nfs/dbraw/zinc/89/83/74/385898374.db2.gz NQORXSBPXJETPG-NSHDSACASA-N 2 0 239.294 0.633 20 0 BCADRP C[C@]([NH3+])(C(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000262905998 385907369 /nfs/dbraw/zinc/90/73/69/385907369.db2.gz QEEACLDTDVPXDQ-TZMCWYRMSA-N 2 0 247.342 0.810 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000294921766 385917119 /nfs/dbraw/zinc/91/71/19/385917119.db2.gz CQAHADXAWHFUIN-JTQLQIEISA-N 2 0 220.276 0.131 20 0 BCADRP Cc1cc(NC[C@@H]2C[NH2+]CCN2C)cc[nH+]1 ZINC000394726494 385918086 /nfs/dbraw/zinc/91/80/86/385918086.db2.gz FFUOTXCJYODZBY-LBPRGKRZSA-N 2 0 220.320 0.127 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000647811039 385862367 /nfs/dbraw/zinc/86/23/67/385862367.db2.gz MFMDQXOBOMKTFZ-OPRDCNLKSA-N 2 0 213.325 0.132 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000262610128 385864428 /nfs/dbraw/zinc/86/44/28/385864428.db2.gz BOOMZNZGSPCZJX-CHWSQXEVSA-N 2 0 247.342 0.863 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000262610132 385865541 /nfs/dbraw/zinc/86/55/41/385865541.db2.gz BOOMZNZGSPCZJX-OLZOCXBDSA-N 2 0 247.342 0.863 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]1CCC[NH2+]1 ZINC000647824980 385866524 /nfs/dbraw/zinc/86/65/24/385866524.db2.gz MDBOZNHSGHQIHH-PWSUYJOCSA-N 2 0 227.352 0.618 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000262619234 385867287 /nfs/dbraw/zinc/86/72/87/385867287.db2.gz DPLJZESJWMSKKX-QWHCGFSZSA-N 2 0 247.342 0.863 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000647818227 385871031 /nfs/dbraw/zinc/87/10/31/385871031.db2.gz FDCQQZARHGNFQI-LVEVGFFFSA-N 2 0 237.347 0.038 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H]1C[NH3+] ZINC000647820847 385871236 /nfs/dbraw/zinc/87/12/36/385871236.db2.gz FMDMERAXLGFNOD-PREPNJAASA-N 2 0 237.347 0.038 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000647818240 385871402 /nfs/dbraw/zinc/87/14/02/385871402.db2.gz FRIWMXQUWJXMIJ-ROHXPCBUSA-N 2 0 237.347 0.323 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N(C)[C@H]2CC[NH2+]C2)cc1 ZINC000262677410 385872619 /nfs/dbraw/zinc/87/26/19/385872619.db2.gz UQXGJMNJLGJVFS-STQMWFEESA-N 2 0 247.342 0.815 20 0 BCADRP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCC(F)(F)C1 ZINC000308820438 385873205 /nfs/dbraw/zinc/87/32/05/385873205.db2.gz BUCSCEMCEOFQOY-BDAKNGLRSA-N 2 0 222.279 0.673 20 0 BCADRP C[C@H]1CN(CC[N@@H+]2CCC[C@H](C[NH3+])C2)CCO1 ZINC000647827162 385875214 /nfs/dbraw/zinc/87/52/14/385875214.db2.gz NAAKKIVAWXAJTH-QWHCGFSZSA-N 2 0 241.379 0.378 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@H](C)[NH3+] ZINC000308814474 385875308 /nfs/dbraw/zinc/87/53/08/385875308.db2.gz DQBXKJINWFNGDJ-WPRPVWTQSA-N 2 0 201.314 0.213 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)CCC(C)(C)[NH3+] ZINC000647827789 385876345 /nfs/dbraw/zinc/87/63/45/385876345.db2.gz ZKFKPLZNQGIATR-LBPRGKRZSA-N 2 0 229.368 0.994 20 0 BCADRP Cn1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1=O ZINC000647829407 385877771 /nfs/dbraw/zinc/87/77/71/385877771.db2.gz AIPVMEAXFNJOOY-LLVKDONJSA-N 2 0 221.304 0.166 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000647829256 385878271 /nfs/dbraw/zinc/87/82/71/385878271.db2.gz CRWZYCGSPHRUMB-GMTAPVOTSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]C[C@H]1CC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000647829609 385878395 /nfs/dbraw/zinc/87/83/95/385878395.db2.gz DFMHRMAFZKGDDZ-NEPJUHHUSA-N 2 0 228.336 0.463 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000647829671 385878951 /nfs/dbraw/zinc/87/89/51/385878951.db2.gz KNGQIDRSXUURNM-RYUDHWBXSA-N 3 0 211.353 0.657 20 0 BCADRP CC[C@H](C(=O)NC1(C[NH+](C)C)CCC1)[NH+](C)C ZINC000413777080 385882224 /nfs/dbraw/zinc/88/22/24/385882224.db2.gz XRCIHOACVXHSBP-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C)C[NH3+] ZINC000417450343 385975688 /nfs/dbraw/zinc/97/56/88/385975688.db2.gz ZYNWIVABNMZGEH-QWRGUYRKSA-N 2 0 244.383 0.611 20 0 BCADRP CC1CC[NH+](CC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000335019759 385978555 /nfs/dbraw/zinc/97/85/55/385978555.db2.gz SNSXRYJDCHQDMU-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000295173093 385983756 /nfs/dbraw/zinc/98/37/56/385983756.db2.gz LRKWRXDKUKAJSK-OLZOCXBDSA-N 2 0 249.358 0.828 20 0 BCADRP Cn1ccc(C[NH2+][C@](C)(C[NH3+])C2CC2)cc1=O ZINC000647867924 385987294 /nfs/dbraw/zinc/98/72/94/385987294.db2.gz GKORMMGLPKIWJC-CYBMUJFWSA-N 2 0 235.331 0.602 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000335038812 385931573 /nfs/dbraw/zinc/93/15/73/385931573.db2.gz SWINGLAZYRUYCN-LBPRGKRZSA-N 2 0 239.363 0.666 20 0 BCADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639020464 385931836 /nfs/dbraw/zinc/93/18/36/385931836.db2.gz FSSYLBDGDCANNS-LBELIVKGSA-N 2 0 249.358 0.052 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639020121 385932755 /nfs/dbraw/zinc/93/27/55/385932755.db2.gz CKSZREKORUHGLG-MNOVXSKESA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000335041114 385934199 /nfs/dbraw/zinc/93/41/99/385934199.db2.gz ACHRVHYFPUKRMH-BDAKNGLRSA-N 2 0 232.287 0.800 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCCC[NH3+] ZINC000417445384 385938316 /nfs/dbraw/zinc/93/83/16/385938316.db2.gz GQTBSFYOTDQONA-JTQLQIEISA-N 2 0 230.356 0.365 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@H]([NH3+])c1ccccc1C ZINC000294998669 385938627 /nfs/dbraw/zinc/93/86/27/385938627.db2.gz LDACZGPJVFBICZ-ZYHUDNBSSA-N 2 0 235.331 0.719 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@H](C[NH3+])c1ccccc1)C1CC1 ZINC000295222369 385993182 /nfs/dbraw/zinc/99/31/82/385993182.db2.gz RDMRYNLCFXQZGX-OLZOCXBDSA-N 2 0 247.342 0.582 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000295214208 385993217 /nfs/dbraw/zinc/99/32/17/385993217.db2.gz LYRWLQCNZHIDLK-RYUDHWBXSA-N 2 0 235.331 0.930 20 0 BCADRP C[C@@H](CN1CCOCC1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647924146 385940075 /nfs/dbraw/zinc/94/00/75/385940075.db2.gz ITESGQZQLLEUAX-LBPRGKRZSA-N 2 0 241.379 0.520 20 0 BCADRP C[C@@H](C[NH3+])NCc1cc(C2CC[NH2+]CC2)no1 ZINC000425390919 385943429 /nfs/dbraw/zinc/94/34/29/385943429.db2.gz WZISIPWBTJMYGG-VIFPVBQESA-N 2 0 238.335 0.578 20 0 BCADRP CC1(C(=O)NC[C@]2(C)CCC[NH2+]C2)C[NH2+]C1 ZINC000335050074 385946412 /nfs/dbraw/zinc/94/64/12/385946412.db2.gz HVJMIJVJYIULDV-LLVKDONJSA-N 2 0 225.336 0.102 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCC(C)(C)[NH3+] ZINC000417446598 385953879 /nfs/dbraw/zinc/95/38/79/385953879.db2.gz MHTMSKLPQUUGNA-JTQLQIEISA-N 2 0 244.383 0.753 20 0 BCADRP C1CCC([N@@H+]2CC[C@@H](N[C@H]3CC[NH2+]C3)C2)C1 ZINC000335058160 385958162 /nfs/dbraw/zinc/95/81/62/385958162.db2.gz YPNSKDRDEDDUDI-NWDGAFQWSA-N 2 0 223.364 0.955 20 0 BCADRP CC1([NH3+])CCN(CC(=O)NCC2CCC2)CC1 ZINC000647924840 385958965 /nfs/dbraw/zinc/95/89/65/385958965.db2.gz OQOMVFQNFPATQX-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000417447848 385961113 /nfs/dbraw/zinc/96/11/13/385961113.db2.gz RWEQPWJYLHYOSA-GHMZBOCLSA-N 2 0 242.367 0.378 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000335059974 385961455 /nfs/dbraw/zinc/96/14/55/385961455.db2.gz GASDDPRONFLTRX-ZYHUDNBSSA-N 2 0 247.342 0.759 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000295072641 385961694 /nfs/dbraw/zinc/96/16/94/385961694.db2.gz HMWADAHRFQJFED-CKYFFXLPSA-N 2 0 235.331 0.786 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000111612045 385968529 /nfs/dbraw/zinc/96/85/29/385968529.db2.gz FDJVUESBGIHKLE-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP CC1(C(=O)NCc2ccc3c(c2)C[NH2+]C3)C[NH2+]C1 ZINC000335014680 385971793 /nfs/dbraw/zinc/97/17/93/385971793.db2.gz ULLGRFIZTMQKKR-UHFFFAOYSA-N 2 0 245.326 0.516 20 0 BCADRP CC[NH+](CC)CCCN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647865875 385999360 /nfs/dbraw/zinc/99/93/60/385999360.db2.gz WCFHYSCIFAQJIL-OLZOCXBDSA-N 2 0 243.395 0.766 20 0 BCADRP C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1nccs1 ZINC000336750387 386003602 /nfs/dbraw/zinc/00/36/02/386003602.db2.gz UUJLVSOLAXPFKC-ONGXEEELSA-N 2 0 241.360 0.860 20 0 BCADRP CC[N@H+](CCNC(=O)N[C@@H](C)C[NH3+])C(C)C ZINC000417460325 386012216 /nfs/dbraw/zinc/01/22/16/386012216.db2.gz KBDBLKVKFIWXGT-JTQLQIEISA-N 2 0 230.356 0.363 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000309516009 386014494 /nfs/dbraw/zinc/01/44/94/386014494.db2.gz YSNOGWCAXBLQME-LPEHRKFASA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000309516007 386016190 /nfs/dbraw/zinc/01/61/90/386016190.db2.gz YSNOGWCAXBLQME-IVZWLZJFSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335061312 386026882 /nfs/dbraw/zinc/02/68/82/386026882.db2.gz MOXLHYGEKCXIMC-ONGXEEELSA-N 2 0 233.315 0.640 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC[NH2+]C1 ZINC000365326103 386040886 /nfs/dbraw/zinc/04/08/86/386040886.db2.gz LWXOXOVJLZPUKR-MDZLAQPJSA-N 2 0 239.363 0.490 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@]1(CC)CCC[NH2+]1 ZINC000129027728 386043892 /nfs/dbraw/zinc/04/38/92/386043892.db2.gz VZDTXFMGPQDRBH-LBPRGKRZSA-N 2 0 227.352 0.587 20 0 BCADRP CC[N@H+](CCNC(=O)C[NH+](C)C)C(C)C ZINC000340249093 386104004 /nfs/dbraw/zinc/10/40/04/386104004.db2.gz YBNUXXUBVAWLEK-UHFFFAOYSA-N 2 0 215.341 0.395 20 0 BCADRP CC[N@H+](C)CCNC(=O)C1([NH3+])CCCCC1 ZINC000054133166 386109935 /nfs/dbraw/zinc/10/99/35/386109935.db2.gz WWQCQURDLILMQI-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000054133385 386110118 /nfs/dbraw/zinc/11/01/18/386110118.db2.gz PFLRTCYYAPXDBB-JTQLQIEISA-N 2 0 247.408 0.523 20 0 BCADRP [NH3+][C@H](Cc1ccccc1)C(=O)NCC[NH2+]C1CC1 ZINC000647754570 386110620 /nfs/dbraw/zinc/11/06/20/386110620.db2.gz RPSGDMHKLVAJKR-CYBMUJFWSA-N 2 0 247.342 0.425 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C[NH2+]CC1CC1 ZINC000054133514 386111203 /nfs/dbraw/zinc/11/12/03/386111203.db2.gz ZZFSYTRGEFLMMO-UHFFFAOYSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000054133552 386111413 /nfs/dbraw/zinc/11/14/13/386111413.db2.gz UONFLPAJNFMHRA-GHMZBOCLSA-N 2 0 229.368 0.816 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000054133394 386111434 /nfs/dbraw/zinc/11/14/34/386111434.db2.gz FZTOVARPIITJTE-SNVBAGLBSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000525804010 386114680 /nfs/dbraw/zinc/11/46/80/386114680.db2.gz FJZVFBNTKQUUOJ-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1CNCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414667439 386114878 /nfs/dbraw/zinc/11/48/78/386114878.db2.gz HJNXDOKASDHYMI-QJPTWQEYSA-N 2 0 211.353 0.668 20 0 BCADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000345833810 386119503 /nfs/dbraw/zinc/11/95/03/386119503.db2.gz BHBNKNUMALVGDF-USZNOCQGSA-N 2 0 239.363 0.441 20 0 BCADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000345833907 386119518 /nfs/dbraw/zinc/11/95/18/386119518.db2.gz BHBNKNUMALVGDF-WHOHXGKFSA-N 2 0 239.363 0.441 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000054341252 386120412 /nfs/dbraw/zinc/12/04/12/386120412.db2.gz XDFLYTPRJATLSD-WDEREUQCSA-N 2 0 225.336 0.278 20 0 BCADRP C[C@@H](CNC(=O)[C@@H](C)C[NH3+])C[NH+]1CCCCC1 ZINC000054342385 386120782 /nfs/dbraw/zinc/12/07/82/386120782.db2.gz KYDZDIPCKUPBON-RYUDHWBXSA-N 2 0 241.379 0.819 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365404399 386077903 /nfs/dbraw/zinc/07/79/03/386077903.db2.gz PQETYIFGGAUISK-NEPJUHHUSA-N 2 0 230.352 0.410 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365404405 386077984 /nfs/dbraw/zinc/07/79/84/386077984.db2.gz PQETYIFGGAUISK-RYUDHWBXSA-N 2 0 230.352 0.410 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]2CN)CC[NH2+]1 ZINC000414655866 386082017 /nfs/dbraw/zinc/08/20/17/386082017.db2.gz HUABUNAIJXZJKE-WOPDTQHZSA-N 2 0 211.353 0.798 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000237125188 259680914 /nfs/dbraw/zinc/68/09/14/259680914.db2.gz SOQLNQFTWBDFNS-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](CC1CC1)[NH2+]CCN1CC[NH2+]CC1 ZINC000414889073 386099772 /nfs/dbraw/zinc/09/97/72/386099772.db2.gz SOIOMAXXPWKPJP-LLVKDONJSA-N 2 0 211.353 0.670 20 0 BCADRP [NH3+]CC1(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000414662522 386100339 /nfs/dbraw/zinc/10/03/39/386100339.db2.gz AGBICAHENZGLII-QJPTWQEYSA-N 2 0 223.364 0.785 20 0 BCADRP CCC[NH+]1CCC(NCC[NH2+]CCOC)CC1 ZINC000414891982 386145817 /nfs/dbraw/zinc/14/58/17/386145817.db2.gz WQYKRPGAPXNYRU-UHFFFAOYSA-N 2 0 243.395 0.686 20 0 BCADRP COCC[NH2+]CCN[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000414892435 386148403 /nfs/dbraw/zinc/14/84/03/386148403.db2.gz XAXPTQDRQKJTHB-VXGBXAGGSA-N 2 0 229.368 0.343 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN(CCO)C1CC1 ZINC000414675682 386154887 /nfs/dbraw/zinc/15/48/87/386154887.db2.gz MIHACCAVQVZAMA-SNVBAGLBSA-N 2 0 200.326 0.817 20 0 BCADRP CC(C)C[C@H]([NH3+])CN(CCO)C1CC1 ZINC000414675680 386155357 /nfs/dbraw/zinc/15/53/57/386155357.db2.gz MIHACCAVQVZAMA-JTQLQIEISA-N 2 0 200.326 0.817 20 0 BCADRP CN(C)c1ncc(C[NH2+]CCN2CCC2)n1C ZINC000414369176 386155694 /nfs/dbraw/zinc/15/56/94/386155694.db2.gz UAGJNUXLMQUYRX-UHFFFAOYSA-N 2 0 237.351 0.281 20 0 BCADRP CC[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCOC1 ZINC000647878406 386159292 /nfs/dbraw/zinc/15/92/92/386159292.db2.gz DAAPVVUCQNUOFF-ZDUSSCGKSA-N 2 0 241.379 0.250 20 0 BCADRP CCOC(=O)C[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414678700 386160170 /nfs/dbraw/zinc/16/01/70/386160170.db2.gz QVJZXZZVIPSHRN-MNOVXSKESA-N 2 0 228.336 0.869 20 0 BCADRP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000346181841 386161625 /nfs/dbraw/zinc/16/16/25/386161625.db2.gz BVNMDPATBBTYAA-IJLUTSLNSA-N 2 0 241.379 0.783 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000338896870 386169952 /nfs/dbraw/zinc/16/99/52/386169952.db2.gz PNYNSVFHVUFFGN-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP C[C@@H]1C[N@H+](CCCn2ccnc2)CC[C@@H]1O ZINC000164615802 386171331 /nfs/dbraw/zinc/17/13/31/386171331.db2.gz TUSJHCOMCVGYIA-NEPJUHHUSA-N 2 0 223.320 0.976 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000336754078 386175251 /nfs/dbraw/zinc/17/52/51/386175251.db2.gz WSPZONLSPASNBE-BBBLOLIVSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)CCn2ccnc2)C[NH2+]1 ZINC000310390210 386178744 /nfs/dbraw/zinc/17/87/44/386178744.db2.gz KWMJZTAVNAIKDF-QWRGUYRKSA-N 2 0 236.319 0.530 20 0 BCADRP CC(C)C[N@@H+](CC(N)=O)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414693523 386191202 /nfs/dbraw/zinc/19/12/02/386191202.db2.gz BZGCOAYYAFIDHY-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]CC(=O)N1CC[C@@H]([NH3+])c2cc(OC)ccc21 ZINC000365493473 386130377 /nfs/dbraw/zinc/13/03/77/386130377.db2.gz ONWLJXWPBNPHCZ-LLVKDONJSA-N 2 0 249.314 0.651 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647875026 386143751 /nfs/dbraw/zinc/14/37/51/386143751.db2.gz RVFYMZJUXALJTE-ZNSHCXBVSA-N 2 0 225.336 0.086 20 0 BCADRP [NH3+]CCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000414672875 386144094 /nfs/dbraw/zinc/14/40/94/386144094.db2.gz IDLPFAURVKLUIZ-UHFFFAOYSA-N 3 0 241.379 0.379 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN[C@H]1C[NH2+]CCC1(F)F ZINC000414998416 386200587 /nfs/dbraw/zinc/20/05/87/386200587.db2.gz IZANJZWUYRDNFI-ZJUUUORDSA-N 2 0 235.322 0.947 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000647880910 386202364 /nfs/dbraw/zinc/20/23/64/386202364.db2.gz BAEXCIHEGHKDFK-LLVKDONJSA-N 2 0 238.335 0.564 20 0 BCADRP C[NH+](C)CC1CCN(Cc2cn[nH]n2)CC1 ZINC000340285326 386204222 /nfs/dbraw/zinc/20/42/22/386204222.db2.gz XPBFXMUAOVWKTQ-UHFFFAOYSA-N 2 0 223.324 0.578 20 0 BCADRP CC(C)(C)[NH2+]CCN[C@@H]1C[NH2+]CCC1(F)F ZINC000414998732 386206244 /nfs/dbraw/zinc/20/62/44/386206244.db2.gz JHOUREWSFUKXTL-SECBINFHSA-N 2 0 235.322 0.961 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347068049 386211602 /nfs/dbraw/zinc/21/16/02/386211602.db2.gz NKTRCJRWQHLAQL-UPJWGTAASA-N 2 0 223.364 0.812 20 0 BCADRP NC(=O)CC[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647882719 386236988 /nfs/dbraw/zinc/23/69/88/386236988.db2.gz VNBPFCWZYDOAEH-NEPJUHHUSA-N 2 0 239.363 0.573 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)N[C@H](C)CC[NH3+])cc1 ZINC000430622695 386237458 /nfs/dbraw/zinc/23/74/58/386237458.db2.gz FXUNQAYQELMSHV-ZYHUDNBSSA-N 2 0 235.331 0.848 20 0 BCADRP C[NH2+]CCNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000417512927 386238998 /nfs/dbraw/zinc/23/89/98/386238998.db2.gz ZMNHCDNORNMDLB-UHFFFAOYSA-N 2 0 242.367 0.379 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CCO[C@@H](C[NH3+])C1 ZINC000414719597 386251331 /nfs/dbraw/zinc/25/13/31/386251331.db2.gz YZEXWTUUIREMOP-QWRGUYRKSA-N 2 0 215.341 0.019 20 0 BCADRP C[C@H](NC(=O)C[NH+](C)C)C1=CC[N@H+](C)CC1 ZINC000275956675 386254225 /nfs/dbraw/zinc/25/42/25/386254225.db2.gz HQBGZVYEXYARSY-JTQLQIEISA-N 2 0 225.336 0.315 20 0 BCADRP C[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](N)C2)CC[NH2+]1 ZINC000414732113 386289835 /nfs/dbraw/zinc/28/98/35/386289835.db2.gz FWGVDFJMGSWUFY-SDDRHHMPSA-N 2 0 211.353 0.798 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000430692616 386290720 /nfs/dbraw/zinc/29/07/20/386290720.db2.gz TZZZLZVLXSYHGL-WDEREUQCSA-N 2 0 227.352 0.426 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000335263413 386291563 /nfs/dbraw/zinc/29/15/63/386291563.db2.gz HTTZAHPCMUCLOR-JTQLQIEISA-N 2 0 245.326 0.724 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H](C)C[C@H]1C(N)=O ZINC000414736950 386304396 /nfs/dbraw/zinc/30/43/96/386304396.db2.gz HZEGDHMXTYFQRM-WOPDTQHZSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@]1(C(=O)N2CCC[C@@H]([NH3+])C2)CCCC[NH2+]1 ZINC000180895015 386306479 /nfs/dbraw/zinc/30/64/79/386306479.db2.gz AAABEMVCFFTBGA-PWSUYJOCSA-N 2 0 225.336 0.468 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(CCN2CCCC2=O)C1 ZINC000430629543 386313340 /nfs/dbraw/zinc/31/33/40/386313340.db2.gz QKSYYCJKABTMET-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@@H](C[C@H]1CCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000414902071 386323517 /nfs/dbraw/zinc/32/35/17/386323517.db2.gz JKXKWTFNKRIZPJ-TUAOUCFPSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000289124164 386262170 /nfs/dbraw/zinc/26/21/70/386262170.db2.gz DOFIWXXYXNUCLB-SKDRFNHKSA-N 2 0 233.315 0.707 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000289124158 386262460 /nfs/dbraw/zinc/26/24/60/386262460.db2.gz DOFIWXXYXNUCLB-BXKDBHETSA-N 2 0 233.315 0.707 20 0 BCADRP C[NH+](C)C[C@@H]1CC[N@H+](CC2(C)COC2)C1 ZINC000336649926 386263832 /nfs/dbraw/zinc/26/38/32/386263832.db2.gz RXGGHPSCJXAOCW-NSHDSACASA-N 2 0 212.337 0.906 20 0 BCADRP C[NH+](C)C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000416302036 386267092 /nfs/dbraw/zinc/26/70/92/386267092.db2.gz MVKKMCYQEKMCHB-SNVBAGLBSA-N 2 0 225.336 0.291 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000132961680 386271865 /nfs/dbraw/zinc/27/18/65/386271865.db2.gz HJLYAEKZRODKGJ-RYUDHWBXSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@H](O)C3(CC3)C2)CC[NH2+]1 ZINC000414746206 386344786 /nfs/dbraw/zinc/34/47/86/386344786.db2.gz RUTQQCRPDHRZJG-WOPDTQHZSA-N 2 0 224.348 0.831 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000414746576 386346125 /nfs/dbraw/zinc/34/61/25/386346125.db2.gz SIGUKYHYMITPEO-XQQFMLRXSA-N 2 0 225.380 0.853 20 0 BCADRP C(C[C@H]1CCC[NH2+]1)NC[C@H]1CCC[NH2+]C1 ZINC000414904093 386351991 /nfs/dbraw/zinc/35/19/91/386351991.db2.gz LCGCEBOTRLIBFE-NWDGAFQWSA-N 2 0 211.353 0.718 20 0 BCADRP C[NH+](C)C/C=C/C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000265606322 386353306 /nfs/dbraw/zinc/35/33/06/386353306.db2.gz BFBHAHUJERGRDS-ZRQQLDRUSA-N 2 0 225.336 0.315 20 0 BCADRP C1CC[C@@H](N[C@H]2CCC[NH2+]CC2)C[NH2+]C1 ZINC000335269929 386353794 /nfs/dbraw/zinc/35/37/94/386353794.db2.gz LAGXQZWVISDQHK-NWDGAFQWSA-N 2 0 211.353 0.860 20 0 BCADRP C[C@H](CNC(=O)N(C)CC[NH3+])[N@H+](C)C1CC1 ZINC000417548513 386353710 /nfs/dbraw/zinc/35/37/10/386353710.db2.gz IHPJOOYCKMTNHS-SECBINFHSA-N 2 0 228.340 0.069 20 0 BCADRP C[C@H](CNC(=O)NCCCC[NH3+])[N@H+](C)C1CC1 ZINC000417552076 386355158 /nfs/dbraw/zinc/35/51/58/386355158.db2.gz PWQMOENIFUQVKW-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]([NH3+])CC(F)F)C1CC1 ZINC000336732010 386357988 /nfs/dbraw/zinc/35/79/88/386357988.db2.gz ZBPFADARIPVKAF-VIFPVBQESA-N 2 0 249.305 0.569 20 0 BCADRP c1ncn([C@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000647989569 386358926 /nfs/dbraw/zinc/35/89/26/386358926.db2.gz GFKUMUWPUBJHRK-MNOVXSKESA-N 2 0 221.308 0.134 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000417552507 386359127 /nfs/dbraw/zinc/35/91/27/386359127.db2.gz RLORQQOLYMAAOS-NXEZZACHSA-N 2 0 242.367 0.506 20 0 BCADRP COCCOC[C@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647890060 386360387 /nfs/dbraw/zinc/36/03/87/386360387.db2.gz KOPCVVXEGZJTMV-OLZOCXBDSA-N 2 0 242.363 0.581 20 0 BCADRP C[C@@H]1C[C@@H](C[N@H+]2CC(=O)N(C)[C@@H](C)C2)CC[NH2+]1 ZINC000414748848 386362816 /nfs/dbraw/zinc/36/28/16/386362816.db2.gz XIWKLLIMKZNRCC-WOPDTQHZSA-N 2 0 239.363 0.537 20 0 BCADRP CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CCC[NH3+] ZINC000414753122 386386953 /nfs/dbraw/zinc/38/69/53/386386953.db2.gz DBBBLSDAXVYNRH-WDEREUQCSA-N 2 0 244.335 0.378 20 0 BCADRP CC[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000637808587 386371751 /nfs/dbraw/zinc/37/17/51/386371751.db2.gz BZTNHHTYCNKVSW-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000133767710 386377328 /nfs/dbraw/zinc/37/73/28/386377328.db2.gz FGGWAEZPEDNAEY-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H]1C[C@H](C[N@@H+]2CCC[C@H](O)C2)CC[NH2+]1 ZINC000414742099 386327509 /nfs/dbraw/zinc/32/75/09/386327509.db2.gz NDDPGACTUJRPSF-TUAOUCFPSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335274552 386330034 /nfs/dbraw/zinc/33/00/34/386330034.db2.gz BJRPGDHDBUETKV-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@]1(C[NH2+]CC2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000414902739 386332921 /nfs/dbraw/zinc/33/29/21/386332921.db2.gz HNPOJNLCOLVQHU-CYBMUJFWSA-N 3 0 225.380 0.965 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC000230045531 386336067 /nfs/dbraw/zinc/33/60/67/386336067.db2.gz HPLZQRKEVJVMPY-FRRDWIJNSA-N 2 0 234.347 0.942 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335276556 386338821 /nfs/dbraw/zinc/33/88/21/386338821.db2.gz NWYBLPDKLKHCIW-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335276552 386339308 /nfs/dbraw/zinc/33/93/08/386339308.db2.gz NWYBLPDKLKHCIW-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417013547 386437819 /nfs/dbraw/zinc/43/78/19/386437819.db2.gz YRSIELVFLMLFRF-WDEREUQCSA-N 2 0 244.383 0.705 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH3+])CC[N@@H+]1C ZINC000637855148 386446383 /nfs/dbraw/zinc/44/63/83/386446383.db2.gz QYMHJSYSVRFHQH-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP [NH3+][C@H]1Cc2ccccc2N(C[C@@H]2CC[NH2+]C2)C1 ZINC000647992456 386448093 /nfs/dbraw/zinc/44/80/93/386448093.db2.gz AVMXZKFSTZXVGN-YPMHNXCESA-N 2 0 231.343 0.986 20 0 BCADRP CC[NH+](CC)CCNC(=O)NC[C@@H](C)C[NH2+]C ZINC000416800494 386390249 /nfs/dbraw/zinc/39/02/49/386390249.db2.gz QZWYJQLKAHKWDF-NSHDSACASA-N 2 0 244.383 0.483 20 0 BCADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]CCC[NH+](C)C ZINC000166087857 386390363 /nfs/dbraw/zinc/39/03/63/386390363.db2.gz MUAZWAJHSFOMFR-NWDGAFQWSA-N 2 0 229.368 0.295 20 0 BCADRP CN(CC[NH3+])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000416826095 386391592 /nfs/dbraw/zinc/39/15/92/386391592.db2.gz MCATUJMYDFYFNZ-UHFFFAOYSA-N 2 0 242.367 0.461 20 0 BCADRP CC[NH+](CC)CCCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000416825027 386392167 /nfs/dbraw/zinc/39/21/67/386392167.db2.gz YPJNGOHIQBYZGZ-QWRGUYRKSA-N 2 0 244.383 0.753 20 0 BCADRP CC[N@H+](CCn1ccnc1)[C@@H]1CCOC1 ZINC000336704877 386395163 /nfs/dbraw/zinc/39/51/63/386395163.db2.gz QUSCVGBRRBPUGO-LLVKDONJSA-N 2 0 209.293 0.994 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCCC[NH+](CC)CC ZINC000416812961 386399236 /nfs/dbraw/zinc/39/92/36/386399236.db2.gz LSHNZDHIIYYPKM-NSHDSACASA-N 2 0 244.383 0.755 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000353202867 386400222 /nfs/dbraw/zinc/40/02/22/386400222.db2.gz YBFQXGAOVUILBG-DCAQKATOSA-N 2 0 225.336 0.099 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCC[NH3+] ZINC000417584127 386409207 /nfs/dbraw/zinc/40/92/07/386409207.db2.gz MEQFSUNSEQHHDW-NSHDSACASA-N 2 0 242.367 0.509 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CC[NH3+] ZINC000417579839 386409685 /nfs/dbraw/zinc/40/96/85/386409685.db2.gz BTQAFHVGHDEBRG-LLVKDONJSA-N 2 0 242.367 0.461 20 0 BCADRP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000647991492 386416363 /nfs/dbraw/zinc/41/63/63/386416363.db2.gz AAICWXISPYJSTN-QWRGUYRKSA-N 2 0 208.309 0.471 20 0 BCADRP C[C@@H]([NH3+])CN1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000442665599 386417309 /nfs/dbraw/zinc/41/73/09/386417309.db2.gz NEPYRVYGHWWYAT-NEPJUHHUSA-N 2 0 241.379 0.519 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@](F)(CO)C2)CC[NH2+]1 ZINC000414761588 386420728 /nfs/dbraw/zinc/42/07/28/386420728.db2.gz JNRLDTYUOGSXOG-UTUOFQBUSA-N 2 0 230.327 0.781 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@](F)(CO)C2)CC[NH2+]1 ZINC000414761586 386422625 /nfs/dbraw/zinc/42/26/25/386422625.db2.gz JNRLDTYUOGSXOG-IJLUTSLNSA-N 2 0 230.327 0.781 20 0 BCADRP COC(=O)[C@H]1CC[N@H+](CCC[NH3+])[C@H]1C ZINC000414761986 386422932 /nfs/dbraw/zinc/42/29/32/386422932.db2.gz VEHRTEGNMJMTSK-IUCAKERBSA-N 2 0 200.282 0.219 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000519402958 386430187 /nfs/dbraw/zinc/43/01/87/386430187.db2.gz MGPLAEDULRTXIL-VWYCJHECSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)CC[NH3+] ZINC000417014262 386432369 /nfs/dbraw/zinc/43/23/69/386432369.db2.gz DAVHNOMKCOOKIG-LLVKDONJSA-N 2 0 242.367 0.461 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCC(C)(C)[NH+](C)C ZINC000394806592 386434133 /nfs/dbraw/zinc/43/41/33/386434133.db2.gz DSRJSQUGLSJHBZ-SECBINFHSA-N 2 0 227.352 0.583 20 0 BCADRP CC1CC[NH+](CCNC(=O)NCCC[NH3+])CC1 ZINC000417021163 386434376 /nfs/dbraw/zinc/43/43/76/386434376.db2.gz TWIUUDYSAJHCOI-UHFFFAOYSA-N 2 0 242.367 0.366 20 0 BCADRP C[C@H](C[NH3+])NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000417008517 386435175 /nfs/dbraw/zinc/43/51/75/386435175.db2.gz IXGQHHWYIXPHEY-LLVKDONJSA-N 2 0 242.367 0.365 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)NCC[NH2+]C ZINC000417010783 386435962 /nfs/dbraw/zinc/43/59/62/386435962.db2.gz QKKYEUKRJHGPHV-SNVBAGLBSA-N 2 0 230.356 0.235 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000094648345 386466270 /nfs/dbraw/zinc/46/62/70/386466270.db2.gz FWOAMLOFZJKVCD-SDDRHHMPSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NCC[N@H+](C)C1CC1 ZINC000417621315 386468704 /nfs/dbraw/zinc/46/87/04/386468704.db2.gz FHFOJWYMIQXCJM-NSHDSACASA-N 2 0 242.367 0.363 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000417276947 386470198 /nfs/dbraw/zinc/47/01/98/386470198.db2.gz FOCFDDOHPOSSAH-GUBZILKMSA-N 2 0 228.340 0.116 20 0 BCADRP [NH3+]CC1(CC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000335425516 386477133 /nfs/dbraw/zinc/47/71/33/386477133.db2.gz YPSLUTFDCSABCX-QWRGUYRKSA-N 2 0 237.347 0.326 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000417317090 386480956 /nfs/dbraw/zinc/48/09/56/386480956.db2.gz HLRXGDDYPARNOB-UWVGGRQHSA-N 2 0 230.356 0.363 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)NC(C)(C)C[NH3+] ZINC000417316398 386483613 /nfs/dbraw/zinc/48/36/13/386483613.db2.gz FCQRDKDNQTWCFA-SECBINFHSA-N 2 0 230.356 0.363 20 0 BCADRP [NH3+]CC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000335428614 386484808 /nfs/dbraw/zinc/48/48/08/386484808.db2.gz IXWINQDQCQOBFC-NSHDSACASA-N 2 0 219.288 0.030 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000187177432 386484958 /nfs/dbraw/zinc/48/49/58/386484958.db2.gz IYFFDZZWJNJCSD-JTQLQIEISA-N 2 0 248.330 0.783 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000062010209 386491049 /nfs/dbraw/zinc/49/10/49/386491049.db2.gz BRRCHAHFFOUQPM-LBPRGKRZSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417318095 386496039 /nfs/dbraw/zinc/49/60/39/386496039.db2.gz KWBSNAMYPFGVCQ-KOLCDFICSA-N 2 0 242.367 0.363 20 0 BCADRP C[C@@H]1C[C@H](CN2CC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000414780515 386497336 /nfs/dbraw/zinc/49/73/36/386497336.db2.gz BMFWWIWAWCXROC-LPWJVIDDSA-N 2 0 223.364 0.668 20 0 BCADRP CC[C@@H](C)C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414780532 386498457 /nfs/dbraw/zinc/49/84/57/386498457.db2.gz LOJPSSQYFWBNDW-GFCCVEGCSA-N 2 0 213.369 0.917 20 0 BCADRP C(C[NH2+][C@H]1CCCSC1)CN1CC[NH2+]CC1 ZINC000414781432 386501369 /nfs/dbraw/zinc/50/13/69/386501369.db2.gz MWKPWLWRNXYHFM-LBPRGKRZSA-N 2 0 243.420 0.767 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335446418 386512152 /nfs/dbraw/zinc/51/21/52/386512152.db2.gz QFVDBZSRXXOCQJ-GHMZBOCLSA-N 2 0 225.336 0.183 20 0 BCADRP [NH3+][C@H](CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000366465368 386513307 /nfs/dbraw/zinc/51/33/07/386513307.db2.gz XENFQWVDOJJYAQ-CZXHOFHRSA-N 2 0 245.326 0.411 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000335447948 386513947 /nfs/dbraw/zinc/51/39/47/386513947.db2.gz YAQBEIZOWKVFDB-MFKMUULPSA-N 2 0 247.342 0.679 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)CC1CC[NH2+]CC1 ZINC000519643151 386514214 /nfs/dbraw/zinc/51/42/14/386514214.db2.gz HHMRBFSRACRHLN-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000415025471 386514268 /nfs/dbraw/zinc/51/42/68/386514268.db2.gz QCKYTCHBAWKRBT-SRVKXCTJSA-N 2 0 211.353 0.703 20 0 BCADRP Cc1c[nH]nc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000335447311 386514789 /nfs/dbraw/zinc/51/47/89/386514789.db2.gz DPQAQYJYHPDZBY-GHMZBOCLSA-N 2 0 220.320 0.759 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000335447947 386515671 /nfs/dbraw/zinc/51/56/71/386515671.db2.gz YAQBEIZOWKVFDB-GXFFZTMASA-N 2 0 247.342 0.679 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335448345 386518115 /nfs/dbraw/zinc/51/81/15/386518115.db2.gz NFTMWWJIAKWHEW-PWSUYJOCSA-N 3 0 211.353 0.574 20 0 BCADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415044422 386530232 /nfs/dbraw/zinc/53/02/32/386530232.db2.gz VDZNMZDYHJTLEP-LVEVGFFFSA-N 2 0 209.337 0.324 20 0 BCADRP [NH3+]C1(C(=O)N2CCC3(C2)CC[NH2+]CC3)CCC1 ZINC000335454784 386530452 /nfs/dbraw/zinc/53/04/52/386530452.db2.gz DKQOOKQAWOBWPA-UHFFFAOYSA-N 2 0 237.347 0.470 20 0 BCADRP C(C[NH2+]C[C@@H]1CCCOC1)CN1CC[NH2+]CC1 ZINC000414786674 386527045 /nfs/dbraw/zinc/52/70/45/386527045.db2.gz XOJVXNIVKQFQRW-ZDUSSCGKSA-N 2 0 241.379 0.298 20 0 BCADRP COCC(C)(C)C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415039922 386527235 /nfs/dbraw/zinc/52/72/35/386527235.db2.gz NLOPGEYHXSQTPZ-NSHDSACASA-N 2 0 230.352 0.627 20 0 BCADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC[NH3+] ZINC000417090923 386453093 /nfs/dbraw/zinc/45/30/93/386453093.db2.gz ZIHRIGXIBSLWHS-JTQLQIEISA-N 2 0 230.356 0.221 20 0 BCADRP C[C@@H](CNC(=O)N(C)CC[NH3+])C[NH+]1CCCC1 ZINC000417143228 386455628 /nfs/dbraw/zinc/45/56/28/386455628.db2.gz URBJPXSRKMWGAS-NSHDSACASA-N 2 0 242.367 0.318 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1(C)C[NH2+]C1 ZINC000399216034 386458024 /nfs/dbraw/zinc/45/80/24/386458024.db2.gz HRXVYEMUBSZCHD-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP CC[N@H+](CCN1CC[NH2+]CC1)Cc1ccccn1 ZINC000094916669 386463590 /nfs/dbraw/zinc/46/35/90/386463590.db2.gz MGRTZQXREOCLCO-UHFFFAOYSA-N 2 0 248.374 0.809 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000059931430 386463958 /nfs/dbraw/zinc/46/39/58/386463958.db2.gz MIUKFHPBXZJCQM-NSHDSACASA-N 2 0 225.336 0.339 20 0 BCADRP [NH3+]CCN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978096 386576415 /nfs/dbraw/zinc/57/64/15/386576415.db2.gz MODMTCSGYOPKJT-NWDGAFQWSA-N 2 0 211.353 0.657 20 0 BCADRP [NH3+]CCN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978095 386576630 /nfs/dbraw/zinc/57/66/30/386576630.db2.gz MODMTCSGYOPKJT-NEPJUHHUSA-N 2 0 211.353 0.657 20 0 BCADRP CO[C@]1(C[NH2+][C@H]2CN(C)C[C@H]2C)CCOC1 ZINC000336757003 386577901 /nfs/dbraw/zinc/57/79/01/386577901.db2.gz HJUZWUJNIQYMQP-WOPDTQHZSA-N 2 0 228.336 0.332 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[C@H](C)CC[NH2+]2)C1 ZINC000647779784 386582640 /nfs/dbraw/zinc/58/26/40/386582640.db2.gz QZAFMLNPGAEUSZ-GRYCIOLGSA-N 2 0 239.363 0.442 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000335418735 386586471 /nfs/dbraw/zinc/58/64/71/386586471.db2.gz SXFJPEHXIUBHDT-VXGBXAGGSA-N 2 0 239.363 0.668 20 0 BCADRP CC(C)[C@@H]([NH3+])C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414801452 386588402 /nfs/dbraw/zinc/58/84/02/386588402.db2.gz UDIWYMBQIPHROX-UTUOFQBUSA-N 3 0 213.369 0.947 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000414802317 386594801 /nfs/dbraw/zinc/59/48/01/386594801.db2.gz MRVIPYMXZGTSPO-SDDRHHMPSA-N 3 0 211.353 0.846 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000417675231 386531362 /nfs/dbraw/zinc/53/13/62/386531362.db2.gz BRROMWVYZFSHLM-SNVBAGLBSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]C1 ZINC000062902554 386532382 /nfs/dbraw/zinc/53/23/82/386532382.db2.gz LXBXADPUNNTOBY-MFKMUULPSA-N 2 0 237.347 0.339 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000062972554 386534732 /nfs/dbraw/zinc/53/47/32/386534732.db2.gz KLHBXSRYUHKBSO-RYUDHWBXSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973559 386535634 /nfs/dbraw/zinc/53/56/34/386535634.db2.gz HVARXZHIGQUUED-RYUDHWBXSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415056532 386536640 /nfs/dbraw/zinc/53/66/40/386536640.db2.gz QYPBQKUWGPTRCQ-YFKTTZPYSA-N 3 0 211.353 0.796 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414789225 386537015 /nfs/dbraw/zinc/53/70/15/386537015.db2.gz YCNAUQZFVWNWRD-FRRDWIJNSA-N 2 0 223.364 0.670 20 0 BCADRP CN(Cc1cccc2c1OCO2)C[C@H](O)C[NH3+] ZINC000415056829 386537082 /nfs/dbraw/zinc/53/70/82/386537082.db2.gz OREASKUFRYSFGY-SNVBAGLBSA-N 2 0 238.287 0.167 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000335459720 386539916 /nfs/dbraw/zinc/53/99/16/386539916.db2.gz CHMUIWXSWMYHCR-PSASIEDQSA-N 2 0 219.288 0.250 20 0 BCADRP CC(C)[C@](C)(CN)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000519707618 386540652 /nfs/dbraw/zinc/54/06/52/386540652.db2.gz FYUMCHOAHKYGKW-NEPJUHHUSA-N 2 0 213.369 0.949 20 0 BCADRP Cn1cc(CN[C@@H](C[NH3+])C(C)(C)C)cn1 ZINC000415061544 386541465 /nfs/dbraw/zinc/54/14/65/386541465.db2.gz YJSHFGVAYYUENA-JTQLQIEISA-N 2 0 210.325 0.883 20 0 BCADRP CC(C)[C@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC000415063369 386545895 /nfs/dbraw/zinc/54/58/95/386545895.db2.gz OFCLRDMMQRWKAU-LBELIVKGSA-N 2 0 224.348 0.997 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000335465742 386551228 /nfs/dbraw/zinc/55/12/28/386551228.db2.gz VBTYTDRJBZSWFO-AOOOYVTPSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@]1(CNCCC[NH2+]C2CC2)CC[NH2+]C1 ZINC000415067932 386551739 /nfs/dbraw/zinc/55/17/39/386551739.db2.gz LRNRWBVKFCBAOI-GFCCVEGCSA-N 2 0 211.353 0.718 20 0 BCADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H](CCC[NH3+])COC ZINC000519762267 386551845 /nfs/dbraw/zinc/55/18/45/386551845.db2.gz INPIPZDBJKXAHT-GARJFASQSA-N 2 0 216.325 0.507 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCC[NH+]1C ZINC000354090215 386556234 /nfs/dbraw/zinc/55/62/34/386556234.db2.gz BBEXLRIQWQBELJ-GFCCVEGCSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000417691478 386558977 /nfs/dbraw/zinc/55/89/77/386558977.db2.gz WVBQCAXRSZQVQL-ZJUUUORDSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000417691475 386559065 /nfs/dbraw/zinc/55/90/65/386559065.db2.gz WVBQCAXRSZQVQL-NXEZZACHSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@](C[NH3+])(NC(=O)CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000519821680 386563816 /nfs/dbraw/zinc/56/38/16/386563816.db2.gz DGALUUFNEAUFIQ-ZWNOBZJWSA-N 2 0 239.363 0.620 20 0 BCADRP CC[C@]1(C(=O)N(C)[C@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000184074947 386565239 /nfs/dbraw/zinc/56/52/39/386565239.db2.gz OQAPIBIOGQHIIM-CMPLNLGQSA-N 2 0 225.336 0.339 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903580 386568015 /nfs/dbraw/zinc/56/80/15/386568015.db2.gz MLVUMULLRUAJGS-OLZOCXBDSA-N 3 0 241.379 0.426 20 0 BCADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000647997618 386619579 /nfs/dbraw/zinc/61/95/79/386619579.db2.gz SGIJMLMVIQHUKL-GRYCIOLGSA-N 2 0 212.337 0.831 20 0 BCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1(C)C[NH2+]C1 ZINC000335497322 386620568 /nfs/dbraw/zinc/62/05/68/386620568.db2.gz UZZWEBXSQDIWKV-NSHDSACASA-N 2 0 239.363 0.396 20 0 BCADRP CN(CC[NH3+])Cc1cccc2c[nH]nc21 ZINC000415101916 386623415 /nfs/dbraw/zinc/62/34/15/386623415.db2.gz DCFYDGBOQASWSO-UHFFFAOYSA-N 2 0 204.277 0.953 20 0 BCADRP COC(=O)C1(C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000415115052 386627967 /nfs/dbraw/zinc/62/79/67/386627967.db2.gz YGSLITRGOYZICT-WDEREUQCSA-N 2 0 240.347 0.917 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415129373 386635219 /nfs/dbraw/zinc/63/52/19/386635219.db2.gz UNTBKIHPARXERB-NEPJUHHUSA-N 3 0 213.369 0.916 20 0 BCADRP C[NH2+]CCCN(C)Cc1ccc(C(=O)OC)[nH]1 ZINC000415133627 386639414 /nfs/dbraw/zinc/63/94/14/386639414.db2.gz NJYAGSGBXGIHOW-UHFFFAOYSA-N 2 0 239.319 0.843 20 0 BCADRP COC(=O)[C@H]1CSCC[N@H+](CCC[NH3+])C1 ZINC000415143537 386640523 /nfs/dbraw/zinc/64/05/23/386640523.db2.gz SUYHKJJBQRYATA-SECBINFHSA-N 2 0 232.349 0.173 20 0 BCADRP CCOC[C@@H](O)CN(C)CCC[NH+]1CCCC1 ZINC000337198791 386649222 /nfs/dbraw/zinc/64/92/22/386649222.db2.gz AMDPRWHEDQDGHG-ZDUSSCGKSA-N 2 0 244.379 0.802 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC000339806893 386650815 /nfs/dbraw/zinc/65/08/15/386650815.db2.gz RRKMDILQQFZKEN-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)C[C@H](C)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000336644901 386600783 /nfs/dbraw/zinc/60/07/83/386600783.db2.gz AUXOINLHSQEBFO-QWRGUYRKSA-N 2 0 202.342 0.920 20 0 BCADRP COC(=O)c1ccc(CN[C@@H](C[NH3+])C2CC2)[nH]1 ZINC000414803757 386601011 /nfs/dbraw/zinc/60/10/11/386601011.db2.gz NZGFAVKMZRAGNS-NSHDSACASA-N 2 0 237.303 0.628 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000366498486 386603989 /nfs/dbraw/zinc/60/39/89/386603989.db2.gz TYNLBSAKSQPWRY-IJLUTSLNSA-N 2 0 237.347 0.196 20 0 BCADRP Cn1cc(CN2CCC[C@@H](c3ncc[nH]3)C2)nn1 ZINC000328683720 386608868 /nfs/dbraw/zinc/60/88/68/386608868.db2.gz WKQGJPUMCFBJIZ-SNVBAGLBSA-N 2 0 246.318 0.918 20 0 BCADRP O=C1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000415096289 386614299 /nfs/dbraw/zinc/61/42/99/386614299.db2.gz AWKBVPKGDLWKKS-QWRGUYRKSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000335495981 386618406 /nfs/dbraw/zinc/61/84/06/386618406.db2.gz OSOIXLXGPFUFPL-RKDXNWHRSA-N 2 0 213.325 0.086 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C[NH2+]C)C1 ZINC000062972716 386665900 /nfs/dbraw/zinc/66/59/00/386665900.db2.gz ULLZJLJIAFKASU-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000520404589 386668288 /nfs/dbraw/zinc/66/82/88/386668288.db2.gz BEQNJCIKCUVKTA-SNVBAGLBSA-N 2 0 227.352 0.429 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]([NH3+])C1CC1)[NH+](C)C ZINC000137322848 386670755 /nfs/dbraw/zinc/67/07/55/386670755.db2.gz QZKWBWZCAAFRNR-WDEREUQCSA-N 2 0 227.352 0.426 20 0 BCADRP Cn1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1=O ZINC000647954450 386682534 /nfs/dbraw/zinc/68/25/34/386682534.db2.gz HMQVYFHTTUETTN-ZDUSSCGKSA-N 2 0 235.331 0.556 20 0 BCADRP C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000414821514 386677584 /nfs/dbraw/zinc/67/75/84/386677584.db2.gz CIECSPCQWSYGRK-WOPDTQHZSA-N 3 0 211.353 0.716 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000335520507 386659014 /nfs/dbraw/zinc/65/90/14/386659014.db2.gz FJEFBDXMHUYBQV-NEPJUHHUSA-N 2 0 241.379 0.912 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1C[C@]12CC[NH2+]C2 ZINC000638506516 386710556 /nfs/dbraw/zinc/71/05/56/386710556.db2.gz WFIFVGDZEQUIJH-WZRBSPASSA-N 2 0 249.358 0.387 20 0 BCADRP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000335475338 386698837 /nfs/dbraw/zinc/69/88/37/386698837.db2.gz XMVPFQFMSVXNBV-AOOOYVTPSA-N 2 0 225.336 0.276 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CC[NH2+]C3)C[C@H]21 ZINC000647907743 386699088 /nfs/dbraw/zinc/69/90/88/386699088.db2.gz NYCYNNIHSJQHON-UMSGYPCISA-N 3 0 223.364 0.655 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000335476962 386700135 /nfs/dbraw/zinc/70/01/35/386700135.db2.gz DKMLJJVHOFEEAR-PHIMTYICSA-N 2 0 239.363 0.892 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000335476528 386700678 /nfs/dbraw/zinc/70/06/78/386700678.db2.gz CYRIANXMVJSMDN-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]C[C@@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000414830337 386706092 /nfs/dbraw/zinc/70/60/92/386706092.db2.gz AXCLFDHQJFUADX-VOMCLLRMSA-N 2 0 213.369 0.949 20 0 BCADRP C[C@@]1(F)C[NH2+]CCN(CC2(C[NH3+])CC2)C1 ZINC000335480244 386706980 /nfs/dbraw/zinc/70/69/80/386706980.db2.gz MOUXXJFBSHRGFE-SNVBAGLBSA-N 2 0 215.316 0.359 20 0 BCADRP [NH3+]CCOCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000357067400 386707914 /nfs/dbraw/zinc/70/79/14/386707914.db2.gz CRNPQOVASLOYBH-ZDUSSCGKSA-N 2 0 241.379 0.379 20 0 BCADRP C[C@]1(C[NH2+]CC[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000414837494 386734904 /nfs/dbraw/zinc/73/49/04/386734904.db2.gz KGAVLDYMIXNRPM-CHWSQXEVSA-N 3 0 225.380 0.965 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000417785969 386719857 /nfs/dbraw/zinc/71/98/57/386719857.db2.gz QIJWFWWQWJCWME-UTLUCORTSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000417786322 386721291 /nfs/dbraw/zinc/72/12/91/386721291.db2.gz QVKDUXQVPAAYFR-MXWKQRLJSA-N 2 0 225.336 0.243 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726728 386726767 /nfs/dbraw/zinc/72/67/67/386726767.db2.gz QCFDREIZSMTBLZ-GXFFZTMASA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000335539285 386744912 /nfs/dbraw/zinc/74/49/12/386744912.db2.gz RIWOLYDHZRKNQS-JTQLQIEISA-N 2 0 244.298 0.768 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334149613 386749798 /nfs/dbraw/zinc/74/97/98/386749798.db2.gz HTTYBOXERYLKOR-JQWIXIFHSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+](C)Cc1ccsc1C(=O)NCCC[NH3+] ZINC000269131540 386753687 /nfs/dbraw/zinc/75/36/87/386753687.db2.gz OQNYIGLUIJUKGX-UHFFFAOYSA-N 2 0 241.360 0.888 20 0 BCADRP C[C@@H](C(=O)NCC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000269124739 386754881 /nfs/dbraw/zinc/75/48/81/386754881.db2.gz WQVMNKFOZFGHCD-NSHDSACASA-N 2 0 235.331 0.582 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000357318496 386758522 /nfs/dbraw/zinc/75/85/22/386758522.db2.gz USAAMWCCAKNRRI-DMDPSCGWSA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357318499 386759415 /nfs/dbraw/zinc/75/94/15/386759415.db2.gz USAAMWCCAKNRRI-NQBHXWOUSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)C[NH2+]CC1CC1 ZINC000357375229 386770058 /nfs/dbraw/zinc/77/00/58/386770058.db2.gz NHKYUULTCUXBEW-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]1COCC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000192129312 386743662 /nfs/dbraw/zinc/74/36/62/386743662.db2.gz UOBVKAWIGPKZTN-QWRGUYRKSA-N 2 0 200.326 0.953 20 0 BCADRP CN(CC[NH3+])C(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000417830460 386789898 /nfs/dbraw/zinc/78/98/98/386789898.db2.gz GZEHMYZIRGVCRA-LLVKDONJSA-N 2 0 239.294 0.285 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417829752 386790921 /nfs/dbraw/zinc/79/09/21/386790921.db2.gz ITGLGNQZWDTUFS-KOLCDFICSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)CC[NH2+]1 ZINC000417835956 386792283 /nfs/dbraw/zinc/79/22/83/386792283.db2.gz UJWPBZMBUDYUOK-AXFHLTTASA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000417833340 386793365 /nfs/dbraw/zinc/79/33/65/386793365.db2.gz JGKYREFBOGWUSX-RKDXNWHRSA-N 2 0 215.341 0.603 20 0 BCADRP CC(C)(O)C[NH+]1CCC([NH2+]CCCO)CC1 ZINC000647908880 386793942 /nfs/dbraw/zinc/79/39/42/386793942.db2.gz XXHAPMDXHDWPSD-UHFFFAOYSA-N 2 0 230.352 0.194 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417832667 386794241 /nfs/dbraw/zinc/79/42/41/386794241.db2.gz LJVXIWMVLPILHU-ATZCPNFKSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@]1(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC[NH2+]C1 ZINC000417835807 386794694 /nfs/dbraw/zinc/79/46/94/386794694.db2.gz OCBGXTARYGIQEX-AAEUAGOBSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)([NH3+])C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000269278725 386771430 /nfs/dbraw/zinc/77/14/30/386771430.db2.gz ZDGXWADHFJPQRQ-UHFFFAOYSA-N 2 0 245.286 0.943 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000417812581 386781136 /nfs/dbraw/zinc/78/11/36/386781136.db2.gz OSCHDGWOUNTBOM-VHSXEESVSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C1 ZINC000417813083 386781617 /nfs/dbraw/zinc/78/16/17/386781617.db2.gz QTMFNARCDMUJCV-WYUUTHIRSA-N 2 0 239.363 0.570 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248642222 386782584 /nfs/dbraw/zinc/78/25/84/386782584.db2.gz RMXFKBHAUMKELA-SRVKXCTJSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@H](C(=O)N(C)CC[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000417825327 386783730 /nfs/dbraw/zinc/78/37/30/386783730.db2.gz BBDFHLIMLSJPTD-JQWIXIFHSA-N 2 0 235.331 0.740 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000417825617 386785261 /nfs/dbraw/zinc/78/52/61/386785261.db2.gz BHKCTTUGMMQCGH-RKDXNWHRSA-N 2 0 215.341 0.332 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000417827075 386785471 /nfs/dbraw/zinc/78/54/71/386785471.db2.gz FFZYIMNSXHVQIE-WDEREUQCSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000418000670 386818094 /nfs/dbraw/zinc/81/80/94/386818094.db2.gz JRPMIOZISLCSCU-GMTAPVOTSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@H]1C[NH3+] ZINC000417837320 386797026 /nfs/dbraw/zinc/79/70/26/386797026.db2.gz MDZDPBHWZUCWTH-GMTAPVOTSA-N 2 0 241.379 0.803 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417836398 386797473 /nfs/dbraw/zinc/79/74/73/386797473.db2.gz OPIQRNATWYHYCE-MWLCHTKSSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000417845191 386798569 /nfs/dbraw/zinc/79/85/69/386798569.db2.gz XKGPZHAPRPMNGG-WYUUTHIRSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000417843381 386799056 /nfs/dbraw/zinc/79/90/56/386799056.db2.gz VIXKOMAXPOZOIX-NWDGAFQWSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000417840587 386799348 /nfs/dbraw/zinc/79/93/48/386799348.db2.gz OQIBOENGURJJKT-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417841220 386799820 /nfs/dbraw/zinc/79/98/20/386799820.db2.gz PBEDATNPBSPIBR-GARJFASQSA-N 2 0 241.379 0.959 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417840715 386800417 /nfs/dbraw/zinc/80/04/17/386800417.db2.gz SCGZSXFBTAFXHK-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000417843606 386800913 /nfs/dbraw/zinc/80/09/13/386800913.db2.gz QOGGTKHTKWNIGM-GMTAPVOTSA-N 2 0 241.379 0.851 20 0 BCADRP COCCOCCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000300011551 386801893 /nfs/dbraw/zinc/80/18/93/386801893.db2.gz LXVFVWSVHNUJRP-CHWSQXEVSA-N 2 0 244.379 0.969 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000417854424 386802544 /nfs/dbraw/zinc/80/25/44/386802544.db2.gz JWSFPNGCBJQTNN-LPEHRKFASA-N 2 0 240.351 0.258 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417851715 386802692 /nfs/dbraw/zinc/80/26/92/386802692.db2.gz NPSLLXUORDBMPL-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)NCCC[NH3+])C[N@@H+]1C1CC1 ZINC000417859699 386804353 /nfs/dbraw/zinc/80/43/53/386804353.db2.gz SKEBKSSPYCZGOR-ZJUUUORDSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000417857620 386804430 /nfs/dbraw/zinc/80/44/30/386804430.db2.gz UEJLKGVUHLLZJJ-IMSYWVGJSA-N 2 0 213.325 0.226 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000417848185 386804910 /nfs/dbraw/zinc/80/49/10/386804910.db2.gz VJAWAUHJBIZSCD-VWYCJHECSA-N 2 0 241.379 0.864 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000417996238 386805470 /nfs/dbraw/zinc/80/54/70/386805470.db2.gz DRMRMYSUFVAWLO-GHMZBOCLSA-N 2 0 242.367 0.378 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000417996240 386806561 /nfs/dbraw/zinc/80/65/61/386806561.db2.gz DRMRMYSUFVAWLO-MNOVXSKESA-N 2 0 242.367 0.378 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000417849931 386806948 /nfs/dbraw/zinc/80/69/48/386806948.db2.gz WVQOYZMUBYLSIT-BJDJZHNGSA-N 2 0 241.379 0.803 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000417850453 386808124 /nfs/dbraw/zinc/80/81/24/386808124.db2.gz XPHQHITVLCMUMU-WOPDTQHZSA-N 2 0 241.379 0.803 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000417850450 386808204 /nfs/dbraw/zinc/80/82/04/386808204.db2.gz XPHQHITVLCMUMU-UTUOFQBUSA-N 2 0 241.379 0.803 20 0 BCADRP C[C@H]1[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)CCC[N@@H+]1C ZINC000417993825 386808521 /nfs/dbraw/zinc/80/85/21/386808521.db2.gz BBMYQEVVBLNDOX-AXFHLTTASA-N 2 0 240.351 0.212 20 0 BCADRP C[C@H]1[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)CCC[N@@H+]1C ZINC000417993829 386809432 /nfs/dbraw/zinc/80/94/32/386809432.db2.gz BBMYQEVVBLNDOX-HBNTYKKESA-N 2 0 240.351 0.212 20 0 BCADRP CCN(C)C(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357734076 386836326 /nfs/dbraw/zinc/83/63/26/386836326.db2.gz RAJDNCRVYUIPIW-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP CCN(C)C(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357734073 386837550 /nfs/dbraw/zinc/83/75/50/386837550.db2.gz RAJDNCRVYUIPIW-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638970807 386838680 /nfs/dbraw/zinc/83/86/80/386838680.db2.gz XCNUIPOIVFBAMR-OPRDCNLKSA-N 2 0 213.325 0.215 20 0 BCADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000425339610 386839441 /nfs/dbraw/zinc/83/94/41/386839441.db2.gz CTSNLLNZKLHLKG-QJPTWQEYSA-N 2 0 244.404 0.927 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357846838 386853746 /nfs/dbraw/zinc/85/37/46/386853746.db2.gz IWKGMYVJYTZNKO-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]1[C@H](NC(=O)NCCC[NH3+])CCC[N@@H+]1C ZINC000418004223 386848364 /nfs/dbraw/zinc/84/83/64/386848364.db2.gz NXLOJYNCPFRLIR-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000191328287 386855156 /nfs/dbraw/zinc/85/51/56/386855156.db2.gz XGCGMFLQBMKCAB-OPRDCNLKSA-N 2 0 213.325 0.310 20 0 BCADRP CS[C@@H]1CC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000425346401 386858115 /nfs/dbraw/zinc/85/81/15/386858115.db2.gz KLZXQBAVCGOLMZ-GHMZBOCLSA-N 2 0 244.404 0.927 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CCC[NH2+]C1 ZINC000414938786 386858575 /nfs/dbraw/zinc/85/85/75/386858575.db2.gz FIJJRDZQPUQFQB-SRVKXCTJSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000418006958 386865351 /nfs/dbraw/zinc/86/53/51/386865351.db2.gz QQYHJHWXWYKTAM-VWYCJHECSA-N 2 0 242.367 0.363 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000335746677 386869898 /nfs/dbraw/zinc/86/98/98/386869898.db2.gz BCMAZOAMYOTUEV-GFCCVEGCSA-N 2 0 239.363 0.635 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000334839615 386882316 /nfs/dbraw/zinc/88/23/16/386882316.db2.gz NLVFJQSAWCSDQC-KIDURHIOSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000331855465 386916912 /nfs/dbraw/zinc/91/69/12/386916912.db2.gz MVLCDZYDGWOOPF-LSJOCFKGSA-N 2 0 225.336 0.228 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](O)C2(CC2)C1 ZINC000334852662 386901805 /nfs/dbraw/zinc/90/18/05/386901805.db2.gz XDEIIEYJVORAAF-VXGBXAGGSA-N 2 0 224.348 0.927 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000418012774 386907214 /nfs/dbraw/zinc/90/72/14/386907214.db2.gz YKNSVOBQXYXWLB-BBBLOLIVSA-N 2 0 228.340 0.116 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000331900797 386924532 /nfs/dbraw/zinc/92/45/32/386924532.db2.gz SFRUFWWBJNURCZ-MNOVXSKESA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@@H](NCC1([NH3+])CCC1)[C@@H]1CCC[NH2+]1 ZINC000331917007 386926963 /nfs/dbraw/zinc/92/69/63/386926963.db2.gz DJHWUSGUGXCFKB-MNOVXSKESA-N 2 0 211.353 0.988 20 0 BCADRP CC[C@H](NCC1([NH3+])CCC1)[C@@H]1CCC[NH2+]1 ZINC000331917009 386927147 /nfs/dbraw/zinc/92/71/47/386927147.db2.gz DJHWUSGUGXCFKB-QWRGUYRKSA-N 2 0 211.353 0.988 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000331946080 386928830 /nfs/dbraw/zinc/92/88/30/386928830.db2.gz IBBKIMCHLSUESY-AXFHLTTASA-N 2 0 225.336 0.357 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]([NH3+])C1CCC1 ZINC000331946100 386929036 /nfs/dbraw/zinc/92/90/36/386929036.db2.gz IBBKIMCHLSUESY-HBNTYKKESA-N 2 0 225.336 0.357 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](CCC(=O)Nc2cccnc2)C1 ZINC000358320947 386932900 /nfs/dbraw/zinc/93/29/00/386932900.db2.gz MZKVLRRBTPMMTK-NSHDSACASA-N 2 0 248.330 0.691 20 0 BCADRP C[NH+]1CCC(CNc2cc[nH+]cc2C(N)=O)CC1 ZINC000302802771 386939725 /nfs/dbraw/zinc/93/97/25/386939725.db2.gz DCKGLKTVBZPJDY-UHFFFAOYSA-N 2 0 248.330 0.934 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368088484 386939814 /nfs/dbraw/zinc/93/98/14/386939814.db2.gz FOWMZAXFYJHQGG-VXGBXAGGSA-N 2 0 237.347 0.054 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000332018984 386941943 /nfs/dbraw/zinc/94/19/43/386941943.db2.gz QPAQVEBEKYXMSS-QWRGUYRKSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000334817919 386944705 /nfs/dbraw/zinc/94/47/05/386944705.db2.gz ADYRUYNGEQSTPX-WCQYABFASA-N 3 0 225.380 0.903 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052880975 386961454 /nfs/dbraw/zinc/96/14/54/386961454.db2.gz QJGULEUMTBGSQB-ZDUSSCGKSA-N 2 0 235.331 0.538 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000332144970 386962993 /nfs/dbraw/zinc/96/29/93/386962993.db2.gz NDSMMBPICUFSBR-WCQGTBRESA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000368375031 386967207 /nfs/dbraw/zinc/96/72/07/386967207.db2.gz JAABLQIUJHWOBV-QWHCGFSZSA-N 2 0 245.326 0.579 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000368451897 386973654 /nfs/dbraw/zinc/97/36/54/386973654.db2.gz VVCWVGDGKQDSRZ-JBLDHEPKSA-N 2 0 243.326 0.416 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000368453514 386974358 /nfs/dbraw/zinc/97/43/58/386974358.db2.gz KPUSQIHRWAEXBN-MWLCHTKSSA-N 2 0 231.315 0.144 20 0 BCADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000332398934 386977055 /nfs/dbraw/zinc/97/70/55/386977055.db2.gz ZIRTUEKBBQXYCQ-QWHCGFSZSA-N 3 0 240.395 0.141 20 0 BCADRP COCC[N@H+](C)CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000395198303 386981894 /nfs/dbraw/zinc/98/18/94/386981894.db2.gz UFKRWCVDNSLWKG-CHWSQXEVSA-N 2 0 243.395 0.685 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)CC(C)(C)[NH3+])C[C@@H]1C[NH3+] ZINC000643425976 386997018 /nfs/dbraw/zinc/99/70/18/386997018.db2.gz ZROCRYJLOGMRDX-MXWKQRLJSA-N 2 0 241.379 0.946 20 0 BCADRP [NH3+][C@@H](C(=O)NC[C@H]1CCCC[NH2+]1)C1CCC1 ZINC000643426052 386997132 /nfs/dbraw/zinc/99/71/32/386997132.db2.gz XJJHSXQKIOSLCX-GHMZBOCLSA-N 2 0 225.336 0.372 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]([NH3+])C1 ZINC000334921133 386997228 /nfs/dbraw/zinc/99/72/28/386997228.db2.gz CPWZPUGBSKHNME-QWRGUYRKSA-N 2 0 240.351 0.213 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CCCC1 ZINC000358686477 386997613 /nfs/dbraw/zinc/99/76/13/386997613.db2.gz NRRXALFDOCMFSJ-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCCC[NH3+] ZINC000368687141 387001539 /nfs/dbraw/zinc/00/15/39/387001539.db2.gz IUEQTWBXPMYYFY-GHMZBOCLSA-N 2 0 227.352 0.476 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000334928609 387003914 /nfs/dbraw/zinc/00/39/14/387003914.db2.gz CABKOTHBRIUXRB-LLVKDONJSA-N 2 0 239.363 0.444 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000648106317 387031373 /nfs/dbraw/zinc/03/13/73/387031373.db2.gz YTVZHOYIPHHECE-DTWKUNHWSA-N 2 0 247.289 0.085 20 0 BCADRP CC(C)[C@H](C)NC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107574625 387032221 /nfs/dbraw/zinc/03/22/21/387032221.db2.gz KEHTUEKKCACYHL-SDDRHHMPSA-N 2 0 239.363 0.298 20 0 BCADRP C[N@H+](CCNC(=O)N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000333403435 387033137 /nfs/dbraw/zinc/03/31/37/387033137.db2.gz QHMAMIRHBQCKBE-JTQLQIEISA-N 2 0 240.351 0.132 20 0 BCADRP C[C@@H](C(=O)NC(C)(C)C)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579451 387033425 /nfs/dbraw/zinc/03/34/25/387033425.db2.gz PANXLQFFOFELOF-GARJFASQSA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)CNC(=O)[C@H](C)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107576278 387033693 /nfs/dbraw/zinc/03/36/93/387033693.db2.gz FOJZHXUJRFCZIO-SDDRHHMPSA-N 2 0 239.363 0.298 20 0 BCADRP [NH3+]CCC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000648106401 387035047 /nfs/dbraw/zinc/03/50/47/387035047.db2.gz KFQZLBWNEYDOIT-UHFFFAOYSA-N 2 0 220.276 0.015 20 0 BCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000334960703 387040677 /nfs/dbraw/zinc/04/06/77/387040677.db2.gz XFGGIWQHQNKIED-RYUDHWBXSA-N 2 0 239.363 0.633 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C[N@H+](C)C(C)C ZINC000359214410 387066789 /nfs/dbraw/zinc/06/67/89/387066789.db2.gz DMNNINOHHDTPDB-LBPRGKRZSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H]1CCN(C(=O)C2([NH3+])CCCC2)C[C@@H]1C[NH3+] ZINC000334962198 387043097 /nfs/dbraw/zinc/04/30/97/387043097.db2.gz RIVYRQNRAKFRDU-MNOVXSKESA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@H](CNC(=O)N1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000334964739 387045406 /nfs/dbraw/zinc/04/54/06/387045406.db2.gz CMKTWMKCHWQRFM-VHSXEESVSA-N 2 0 228.340 0.069 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000333655395 387047778 /nfs/dbraw/zinc/04/77/78/387047778.db2.gz ZTZATDLESWRWMW-QJPTWQEYSA-N 2 0 211.353 0.988 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000333655394 387047956 /nfs/dbraw/zinc/04/79/56/387047956.db2.gz ZTZATDLESWRWMW-IJLUTSLNSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@@]1(F)CNCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000334970788 387055041 /nfs/dbraw/zinc/05/50/41/387055041.db2.gz GIKIIHTWCUTYAM-NWDGAFQWSA-N 2 0 229.343 0.619 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000334970891 387055280 /nfs/dbraw/zinc/05/52/80/387055280.db2.gz JNSHOJOFLVUKLK-JTQLQIEISA-N 2 0 239.363 0.762 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000648108430 387057684 /nfs/dbraw/zinc/05/76/84/387057684.db2.gz UKXZVNSUMOXMQQ-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C[C@H]21 ZINC000648108890 387064667 /nfs/dbraw/zinc/06/46/67/387064667.db2.gz APBPYKMLZNJCRY-LSUSWQKBSA-N 2 0 249.358 0.038 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N(C)C1CC([NH3+])C1 ZINC000334934332 387010695 /nfs/dbraw/zinc/01/06/95/387010695.db2.gz ZOGIIJHNPKUYMV-IDWGSYCQSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N(C)C1CC([NH3+])C1 ZINC000334934334 387010912 /nfs/dbraw/zinc/01/09/12/387010912.db2.gz ZOGIIJHNPKUYMV-SFXRXQKFSA-N 2 0 240.351 0.258 20 0 BCADRP [NH3+]Cc1cc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)co1 ZINC000648103401 387019661 /nfs/dbraw/zinc/01/96/61/387019661.db2.gz KQJUCAFQUNPQSF-LLVKDONJSA-N 2 0 249.314 0.705 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000334943948 387021936 /nfs/dbraw/zinc/02/19/36/387021936.db2.gz LBBYHOALALUNBF-VIFPVBQESA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298718 387023019 /nfs/dbraw/zinc/02/30/19/387023019.db2.gz IPDYQNZNFPOWPA-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP C[C@H]1C[C@@H](C[N@@H+]2CC(=O)NCC2(C)C)CC[NH2+]1 ZINC000334882572 387025738 /nfs/dbraw/zinc/02/57/38/387025738.db2.gz PKUPXOQWRRPMQA-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1C[C@H](C[N@@H+]2CC(=O)NCC2(C)C)CC[NH2+]1 ZINC000334882573 387026112 /nfs/dbraw/zinc/02/61/12/387026112.db2.gz PKUPXOQWRRPMQA-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000334952151 387028625 /nfs/dbraw/zinc/02/86/25/387028625.db2.gz CSBIGFRBTGNEIK-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000369107121 387029435 /nfs/dbraw/zinc/02/94/35/387029435.db2.gz PEJRWKWHFGYPPU-UHTWSYAYSA-N 2 0 247.342 0.535 20 0 BCADRP CN(C)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000334982169 387069533 /nfs/dbraw/zinc/06/95/33/387069533.db2.gz YVQHNBHDASUHBK-NWDGAFQWSA-N 2 0 239.363 0.396 20 0 BCADRP CC[C@@H](C(=O)N(C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000359252136 387074286 /nfs/dbraw/zinc/07/42/86/387074286.db2.gz PHCUADOSJNYNDR-LBPRGKRZSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000418054623 387077928 /nfs/dbraw/zinc/07/79/28/387077928.db2.gz FSWFGMCDELNIIR-SNVBAGLBSA-N 2 0 242.367 0.365 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000336766076 387099804 /nfs/dbraw/zinc/09/98/04/387099804.db2.gz RVGVCWSXKNSLPJ-QMMMGPOBSA-N 2 0 201.314 0.167 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCC[N@H+](CC)C1CC1 ZINC000417427889 387099969 /nfs/dbraw/zinc/09/99/69/387099969.db2.gz JWHYFCHNVGAVDC-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H](C[NH3+])CN[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423300377 387131376 /nfs/dbraw/zinc/13/13/76/387131376.db2.gz RLSRYZSQRMEVCA-CKYFFXLPSA-N 2 0 211.353 0.654 20 0 BCADRP COC(=O)[C@H](C1CC1)N1CC[C@H](C[NH+](C)C)C1 ZINC000359600544 387131659 /nfs/dbraw/zinc/13/16/59/387131659.db2.gz REGKEFLRHCYNAI-PWSUYJOCSA-N 2 0 240.347 0.822 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186518009 387106361 /nfs/dbraw/zinc/10/63/61/387106361.db2.gz PVGJESZBJMJURF-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000645666133 387112229 /nfs/dbraw/zinc/11/22/29/387112229.db2.gz MDVIOSRTPFSTFW-NXEZZACHSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@@]1(F)C[NH2+]CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647981640 387114566 /nfs/dbraw/zinc/11/45/66/387114566.db2.gz CNFXEHLIYQTQOS-WDEREUQCSA-N 2 0 215.316 0.229 20 0 BCADRP COC(=O)[C@@H](C1CC1)N1CC[C@H](C[NH+](C)C)C1 ZINC000359600546 387132025 /nfs/dbraw/zinc/13/20/25/387132025.db2.gz REGKEFLRHCYNAI-ZYHUDNBSSA-N 2 0 240.347 0.822 20 0 BCADRP CCCC[C@@H](C[NH3+])N[C@@H]1CC[N@H+](CCOC)C1 ZINC000423299717 387128682 /nfs/dbraw/zinc/12/86/82/387128682.db2.gz QMXXUDPJXFZRCC-QWHCGFSZSA-N 2 0 243.395 0.814 20 0 BCADRP CCC[NH2+]CCN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000423305681 387141991 /nfs/dbraw/zinc/14/19/91/387141991.db2.gz CCOPLZGMONJLBC-NWDGAFQWSA-N 2 0 213.369 0.916 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000353154614 387145520 /nfs/dbraw/zinc/14/55/20/387145520.db2.gz SFKDCQUBYPUVCC-AXFHLTTASA-N 2 0 227.352 0.474 20 0 BCADRP CCC[NH2+]CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000423312654 387152370 /nfs/dbraw/zinc/15/23/70/387152370.db2.gz SITSTACOWOVAAB-VXGBXAGGSA-N 2 0 213.369 0.964 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000353186203 387152672 /nfs/dbraw/zinc/15/26/72/387152672.db2.gz QJVWSSFZILVPQR-DLOVCJGASA-N 2 0 239.363 0.569 20 0 BCADRP CCC[NH2+]CCN[C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423315287 387154380 /nfs/dbraw/zinc/15/43/80/387154380.db2.gz XFGLUKVLQYDWIJ-NWDGAFQWSA-N 2 0 229.368 0.343 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CC[NH2+][C@H](C)C1 ZINC000300130647 387155788 /nfs/dbraw/zinc/15/57/88/387155788.db2.gz AXRKWBIPGXAMKT-TUAOUCFPSA-N 2 0 241.379 0.831 20 0 BCADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423322685 387164313 /nfs/dbraw/zinc/16/43/13/387164313.db2.gz OEZNSDXALAFXQE-CMPLNLGQSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000423323553 387167930 /nfs/dbraw/zinc/16/79/30/387167930.db2.gz ICTIZRKGGQDHIS-AGIUHOORSA-N 2 0 225.380 0.916 20 0 BCADRP [NH3+]Cc1cc(C(=O)NCC2([NH3+])CCC2)co1 ZINC000571795490 387171435 /nfs/dbraw/zinc/17/14/35/387171435.db2.gz BFVDERAGKNAWNP-UHFFFAOYSA-N 2 0 223.276 0.350 20 0 BCADRP C[C@@H]1CN(C(=O)c2coc(C[NH3+])c2)C[C@H](C)[NH2+]1 ZINC000187178071 387172689 /nfs/dbraw/zinc/17/26/89/387172689.db2.gz VBCIPSUFXCYKDU-DTORHVGOSA-N 2 0 237.303 0.561 20 0 BCADRP CC[C@]1(C(=O)NCC[N@H+](C)C2CC2)CC[NH2+]C1 ZINC000062910530 387172806 /nfs/dbraw/zinc/17/28/06/387172806.db2.gz TYCLTIIXCJJULK-ZDUSSCGKSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000571799374 387173628 /nfs/dbraw/zinc/17/36/28/387173628.db2.gz JMXOWKCQPVJCFP-YUMQZZPRSA-N 2 0 237.294 0.473 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000571799373 387173956 /nfs/dbraw/zinc/17/39/56/387173956.db2.gz JMXOWKCQPVJCFP-SFYZADRCSA-N 2 0 237.294 0.473 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000571799372 387174209 /nfs/dbraw/zinc/17/42/09/387174209.db2.gz JMXOWKCQPVJCFP-JGVFFNPUSA-N 2 0 237.294 0.473 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062901831 387178991 /nfs/dbraw/zinc/17/89/91/387178991.db2.gz LKKKYWLCMAJAAT-PWSUYJOCSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@]1(C(=O)NC2CCC([NH3+])CC2)CC[NH2+]C1 ZINC000062903695 387180139 /nfs/dbraw/zinc/18/01/39/387180139.db2.gz BSNATCUZIIFCHB-XIVSLSHWSA-N 2 0 239.363 0.762 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062972439 387190404 /nfs/dbraw/zinc/19/04/04/387190404.db2.gz YYUFRSWATSGNFV-QWRGUYRKSA-N 2 0 227.352 0.666 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000353463445 387206516 /nfs/dbraw/zinc/20/65/16/387206516.db2.gz VMENRIMTCXETGB-VHSXEESVSA-N 2 0 225.336 0.372 20 0 BCADRP CCC(CC)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000571939398 387206595 /nfs/dbraw/zinc/20/65/95/387206595.db2.gz LLMAROOMAMJWQE-VXGBXAGGSA-N 2 0 239.363 0.666 20 0 BCADRP COC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)OC ZINC000300418264 387209065 /nfs/dbraw/zinc/20/90/65/387209065.db2.gz LWSFPRUUYGJDQF-AVGNSLFASA-N 2 0 242.363 0.864 20 0 BCADRP C[N@@H+](Cc1cccc2cccnc21)C[C@H](O)C[NH3+] ZINC000336795441 387211050 /nfs/dbraw/zinc/21/10/50/387211050.db2.gz KQNYEZXWDAJLPP-CYBMUJFWSA-N 2 0 245.326 0.986 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)C[NH3+] ZINC000418199852 387211166 /nfs/dbraw/zinc/21/11/66/387211166.db2.gz OQZUTPZWOIBBLB-UWVGGRQHSA-N 2 0 230.356 0.362 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423358524 387211185 /nfs/dbraw/zinc/21/11/85/387211185.db2.gz NTZPMJAXAXVQGK-IJLUTSLNSA-N 2 0 211.353 0.716 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](C)C[NH3+] ZINC000418200468 387212718 /nfs/dbraw/zinc/21/27/18/387212718.db2.gz QFEKILXWRYMIKK-QWRGUYRKSA-N 2 0 244.383 0.609 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N[C@@H](C)CC[NH3+] ZINC000571984978 387213612 /nfs/dbraw/zinc/21/36/12/387213612.db2.gz RFTKXGPXDHSJPL-JTQLQIEISA-N 2 0 230.356 0.411 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)CC[NH3+] ZINC000418204294 387216986 /nfs/dbraw/zinc/21/69/86/387216986.db2.gz XETWOFJOEFBQRX-JTQLQIEISA-N 2 0 230.356 0.315 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000572000490 387217381 /nfs/dbraw/zinc/21/73/81/387217381.db2.gz SCPLBUVHXVUWQB-NXEZZACHSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418203373 387217436 /nfs/dbraw/zinc/21/74/36/387217436.db2.gz KHDNNBCWRKBOHK-GARJFASQSA-N 2 0 242.367 0.234 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000572001772 387219171 /nfs/dbraw/zinc/21/91/71/387219171.db2.gz UFFCIQDBRLLUOX-LBPRGKRZSA-N 2 0 227.352 0.526 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000418204727 387219744 /nfs/dbraw/zinc/21/97/44/387219744.db2.gz MDHUKSIFXUHBRS-VHSXEESVSA-N 2 0 230.356 0.219 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)N[C@@H](C)C[NH+](C)C ZINC000418209675 387221876 /nfs/dbraw/zinc/22/18/76/387221876.db2.gz RXQZGLFVLVFCMD-MNOVXSKESA-N 2 0 244.383 0.753 20 0 BCADRP C[C@@H](N[C@H]1C[NH2+]CC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423370044 387224775 /nfs/dbraw/zinc/22/47/75/387224775.db2.gz UBBVCYISOKFXLQ-KKOKHZNYSA-N 2 0 211.353 0.715 20 0 BCADRP Cc1n[nH]c(C)c1C[NH2+]CCOCC[NH+](C)C ZINC000230005144 387227605 /nfs/dbraw/zinc/22/76/05/387227605.db2.gz DCNKPPUGAFSDET-UHFFFAOYSA-N 2 0 240.351 0.694 20 0 BCADRP COCC[NH2+]CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423326015 387229554 /nfs/dbraw/zinc/22/95/54/387229554.db2.gz IXBVVOKGDGBQPA-KGLIPLIRSA-N 2 0 249.358 0.957 20 0 BCADRP COCCN1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000423396769 387231133 /nfs/dbraw/zinc/23/11/33/387231133.db2.gz SMOBSJZLWHDPHX-XQQFMLRXSA-N 2 0 241.379 0.567 20 0 BCADRP COCCN1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000423396761 387233105 /nfs/dbraw/zinc/23/31/05/387233105.db2.gz SMOBSJZLWHDPHX-AGIUHOORSA-N 2 0 241.379 0.567 20 0 BCADRP C[C@@H](CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C)[NH+](C)C ZINC000418267743 387236560 /nfs/dbraw/zinc/23/65/60/387236560.db2.gz WJKGADGQYGOEEE-VWYCJHECSA-N 2 0 242.367 0.315 20 0 BCADRP COCC[NH2+]CC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000572119665 387239710 /nfs/dbraw/zinc/23/97/10/387239710.db2.gz PFMFUOGDQRSTGN-UHFFFAOYSA-N 2 0 249.314 0.464 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000643438926 387239984 /nfs/dbraw/zinc/23/99/84/387239984.db2.gz MKNYJCUPVAJJGO-JTQLQIEISA-N 2 0 242.367 0.555 20 0 BCADRP COC[C@H](CO)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000300701063 387239884 /nfs/dbraw/zinc/23/98/84/387239884.db2.gz XHSSRLCCOWHJJI-UPJWGTAASA-N 2 0 244.379 0.894 20 0 BCADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423410905 387246283 /nfs/dbraw/zinc/24/62/83/387246283.db2.gz ARAAPPVANLOZFR-SFTQSGBHSA-N 2 0 249.358 0.434 20 0 BCADRP COCC1CCC([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000423420139 387249057 /nfs/dbraw/zinc/24/90/57/387249057.db2.gz AYMOOKOFSAZGBL-NGEZQELSSA-N 2 0 224.348 0.999 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000230216550 387250411 /nfs/dbraw/zinc/25/04/11/387250411.db2.gz WAYFBENRTKQFMQ-SDDRHHMPSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@]1(CN[C@@H]2CCC[C@@H]2[NH3+])CCC[NH2+]C1 ZINC000423346146 387194903 /nfs/dbraw/zinc/19/49/03/387194903.db2.gz PSOLDYSKEYLOOT-TUAOUCFPSA-N 2 0 211.353 0.846 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H]2CC[NH2+]C2)C1 ZINC000423348141 387198351 /nfs/dbraw/zinc/19/83/51/387198351.db2.gz SSVZHTLTYZSHCT-QJPTWQEYSA-N 2 0 211.353 0.526 20 0 BCADRP CCN1C[C@@H](C)[C@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000423348624 387199630 /nfs/dbraw/zinc/19/96/30/387199630.db2.gz UOOWMPGTBVPLLV-DGCLKSJQSA-N 2 0 223.364 0.836 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000423348329 387200171 /nfs/dbraw/zinc/20/01/71/387200171.db2.gz SZHDHBOLPHXHHA-JHJVBQTASA-N 2 0 225.380 0.964 20 0 BCADRP CO[C@@H](C[NH3+])C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000353423830 387200354 /nfs/dbraw/zinc/20/03/54/387200354.db2.gz DQQFZMQWZUBZRP-UWVGGRQHSA-N 2 0 245.367 0.053 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000423348328 387201268 /nfs/dbraw/zinc/20/12/68/387201268.db2.gz SZHDHBOLPHXHHA-FRRDWIJNSA-N 2 0 225.380 0.964 20 0 BCADRP C[C@@H](CC1CCC1)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000643500254 387312477 /nfs/dbraw/zinc/31/24/77/387312477.db2.gz ZUFJXOGRFPPWMF-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423465548 387312770 /nfs/dbraw/zinc/31/27/70/387312770.db2.gz WOOCNPLQHLSWDK-PWSUYJOCSA-N 2 0 241.379 0.995 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423374845 387255446 /nfs/dbraw/zinc/25/54/46/387255446.db2.gz TZJPVGXUNAJLLP-WYUUTHIRSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@H](CNC(=O)c1c[nH+]ccc1N)[N@H+](C)C1CC1 ZINC000188166927 387256225 /nfs/dbraw/zinc/25/62/25/387256225.db2.gz RZNKXWHRCZUNTB-SECBINFHSA-N 2 0 248.330 0.876 20 0 BCADRP C[C@@]1(C(=O)N[C@H]2CCC[NH2+]CC2)CCC[NH2+]C1 ZINC000648119884 387259443 /nfs/dbraw/zinc/25/94/43/387259443.db2.gz BFZYXSOKNHLBBG-WCQYABFASA-N 2 0 239.363 0.634 20 0 BCADRP C[C@H](Cn1cccn1)[NH2+]CCN1CCCC1 ZINC000230318837 387261190 /nfs/dbraw/zinc/26/11/90/387261190.db2.gz KROSFABDGGBRPJ-GFCCVEGCSA-N 2 0 222.336 0.957 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)CC1(C[NH3+])CC1 ZINC000423381894 387264233 /nfs/dbraw/zinc/26/42/33/387264233.db2.gz DBEWUWCAHYGMBD-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC000645684963 387269865 /nfs/dbraw/zinc/26/98/65/387269865.db2.gz PARJQVVLACRSEW-GVXVVHGQSA-N 2 0 237.347 0.196 20 0 BCADRP CC[NH2+][C@H](C)CN[C@H]1CC[N@H+](CCOC)C1 ZINC000423386481 387271247 /nfs/dbraw/zinc/27/12/47/387271247.db2.gz RZIGEIQICZLSKZ-NEPJUHHUSA-N 2 0 229.368 0.295 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000520825062 387275873 /nfs/dbraw/zinc/27/58/73/387275873.db2.gz UGKIEHJAGHJDMC-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP CC[N@H+](CCNC(=O)[C@]12C[C@H]1CC[NH2+]2)C1CC1 ZINC000423390667 387276063 /nfs/dbraw/zinc/27/60/63/387276063.db2.gz KBWASVZOOMTELV-MFKMUULPSA-N 2 0 237.347 0.339 20 0 BCADRP CC[NH2+][C@H](C)CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000423393901 387279048 /nfs/dbraw/zinc/27/90/48/387279048.db2.gz ROLDASGNJPYMMW-IJLUTSLNSA-N 2 0 213.369 0.962 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N(C)CCC[NH3+] ZINC000514722396 387279985 /nfs/dbraw/zinc/27/99/85/387279985.db2.gz LMQKDRXLJVYQQD-SNVBAGLBSA-N 2 0 230.356 0.350 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000572257673 387287821 /nfs/dbraw/zinc/28/78/21/387287821.db2.gz ZUMGEDRHPCNBAR-UPJWGTAASA-N 2 0 241.379 0.303 20 0 BCADRP CC1CC[NH+](CC(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000423480310 387288502 /nfs/dbraw/zinc/28/85/02/387288502.db2.gz PGIJCLIFHLDQHB-GFCCVEGCSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423438099 387288874 /nfs/dbraw/zinc/28/88/74/387288874.db2.gz GTKOIQLCEFAWHK-XWLWVQCSSA-N 2 0 211.353 0.937 20 0 BCADRP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000514825337 387289544 /nfs/dbraw/zinc/28/95/44/387289544.db2.gz RJFGAJNJDSCQRI-NWDGAFQWSA-N 2 0 249.314 0.461 20 0 BCADRP CCOC[C@@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423444204 387293301 /nfs/dbraw/zinc/29/33/01/387293301.db2.gz WNGNUXZIBJFTHV-KIJLLGNVSA-N 2 0 224.348 0.999 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H](C)C[NH3+])[C@@H](C)[NH3+] ZINC000423444983 387294419 /nfs/dbraw/zinc/29/44/19/387294419.db2.gz BJOVOAUHKQJQGP-BBBLOLIVSA-N 2 0 215.341 0.317 20 0 BCADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423448549 387296576 /nfs/dbraw/zinc/29/65/76/387296576.db2.gz QKMPTDQMMJPGNE-FYLLDIAZSA-N 2 0 211.353 0.794 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)c1c[nH+]ccc1N(C)C ZINC000423452496 387300126 /nfs/dbraw/zinc/30/01/26/387300126.db2.gz JRFQYEYUUTVURY-SECBINFHSA-N 2 0 236.319 0.472 20 0 BCADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1(C)C ZINC000423454389 387301308 /nfs/dbraw/zinc/30/13/08/387301308.db2.gz KPIQPJYPBVLKLF-LVEVGFFFSA-N 2 0 224.348 0.997 20 0 BCADRP CCC[C@H](C(=O)NC[C@H](C)C[NH3+])[NH+](C)C ZINC000423453793 387301524 /nfs/dbraw/zinc/30/15/24/387301524.db2.gz KWOAHRUXZSEDAY-NXEZZACHSA-N 2 0 215.341 0.428 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000354291772 387355483 /nfs/dbraw/zinc/35/54/83/387355483.db2.gz PEJNUMALFPYHOH-NEPJUHHUSA-N 2 0 239.363 0.537 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H]1CCCC[NH2+]1 ZINC000643502432 387365224 /nfs/dbraw/zinc/36/52/24/387365224.db2.gz GBXAAVOYKAAIAV-TUAOUCFPSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@H](NC[C@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000643502942 387365914 /nfs/dbraw/zinc/36/59/14/387365914.db2.gz VSRFKKGQDIFQNT-TUAOUCFPSA-N 2 0 211.353 0.859 20 0 BCADRP CC[C@@H](Cn1cncn1)[NH2+]CCC[NH2+]C1CC1 ZINC000423543510 387367482 /nfs/dbraw/zinc/36/74/82/387367482.db2.gz BZRUJDJMCHKAJJ-NSHDSACASA-N 2 0 237.351 0.788 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000367170726 387367528 /nfs/dbraw/zinc/36/75/28/387367528.db2.gz CLNHTLMITLTQCW-WAAKLRNESA-N 2 0 239.363 0.631 20 0 BCADRP CC1CC[NH+](CC(=O)NC[C@H]2CC[NH2+]C2)CC1 ZINC000423545459 387368242 /nfs/dbraw/zinc/36/82/42/387368242.db2.gz CQCRMEAHXDANTB-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP CC1CC[NH+](CC(=O)NC[C@@H]2CC[NH2+]C2)CC1 ZINC000423545458 387369110 /nfs/dbraw/zinc/36/91/10/387369110.db2.gz CQCRMEAHXDANTB-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H]1CCCC[NH2+]C1 ZINC000423547941 387369622 /nfs/dbraw/zinc/36/96/22/387369622.db2.gz GHUJEMJDMKZUFD-IJLUTSLNSA-N 2 0 211.353 0.668 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000515351613 387369917 /nfs/dbraw/zinc/36/99/17/387369917.db2.gz MULJHITVIIOFPQ-JQWIXIFHSA-N 2 0 243.351 0.080 20 0 BCADRP CCC[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[NH+](C)C ZINC000423548280 387370211 /nfs/dbraw/zinc/37/02/11/387370211.db2.gz MKXHQXKGAVAWHX-QJPTWQEYSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423547944 387371382 /nfs/dbraw/zinc/37/13/82/387371382.db2.gz GHUJEMJDMKZUFD-WOPDTQHZSA-N 2 0 211.353 0.668 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000648122930 387372602 /nfs/dbraw/zinc/37/26/02/387372602.db2.gz DFGLELPMZKKSDX-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H](N[C@H]1CCCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423552388 387373730 /nfs/dbraw/zinc/37/37/30/387373730.db2.gz JVLBCMVZHPALMA-GRYCIOLGSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@]1(C(=O)N2CCC[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000237748750 387377096 /nfs/dbraw/zinc/37/70/96/387377096.db2.gz GVCBIEDHQZIZRK-YPMHNXCESA-N 2 0 239.363 0.573 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423563240 387377648 /nfs/dbraw/zinc/37/76/48/387377648.db2.gz WZSXJZRNKWHEHF-HTOAHKCRSA-N 2 0 237.391 0.962 20 0 BCADRP C[C@]1(C(=O)N2CCC[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000237748283 387378029 /nfs/dbraw/zinc/37/80/29/387378029.db2.gz GVCBIEDHQZIZRK-AAEUAGOBSA-N 2 0 239.363 0.573 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000373562860 387379927 /nfs/dbraw/zinc/37/99/27/387379927.db2.gz SGDIQZOWZACERJ-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000336498145 387323522 /nfs/dbraw/zinc/32/35/22/387323522.db2.gz LFENLKKDWXUNFD-RYUDHWBXSA-N 2 0 239.363 0.572 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418391163 387323700 /nfs/dbraw/zinc/32/37/00/387323700.db2.gz BWHDTNMXKMCEBO-PSASIEDQSA-N 2 0 228.340 0.021 20 0 BCADRP [NH3+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1)C1CC1 ZINC000423477105 387325272 /nfs/dbraw/zinc/32/52/72/387325272.db2.gz LGDLDNJRWVGUIT-GFCCVEGCSA-N 2 0 244.298 0.801 20 0 BCADRP CC(C)[C@H](C(=O)NCC[C@H]1CCC[NH2+]1)[C@H](C)[NH3+] ZINC000423584923 387382634 /nfs/dbraw/zinc/38/26/34/387382634.db2.gz SMNZFEYEMMCXHR-TUAOUCFPSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423430660 387326260 /nfs/dbraw/zinc/32/62/60/387326260.db2.gz IDVGWGDLUBRWJX-CABNGKKXSA-N 2 0 237.391 0.914 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000423483814 387329723 /nfs/dbraw/zinc/32/97/23/387329723.db2.gz RRONOWMVPUMXDN-MXWKQRLJSA-N 2 0 247.333 0.913 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000390509211 387330379 /nfs/dbraw/zinc/33/03/79/387330379.db2.gz YSSRKLMYRRIFJL-BDAKNGLRSA-N 2 0 233.381 0.166 20 0 BCADRP C[N@H+](CCCO)[C@H]1CCC[NH+](CCCO)CC1 ZINC000372882048 387333200 /nfs/dbraw/zinc/33/32/00/387333200.db2.gz MCXUZNBYZXLKIH-ZDUSSCGKSA-N 2 0 244.379 0.538 20 0 BCADRP CCC[C@H](C(=O)NC[C@@H]([NH3+])C1CC1)[NH+](C)C ZINC000423488879 387334689 /nfs/dbraw/zinc/33/46/89/387334689.db2.gz ZJFQOXBVALFXOR-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000423491724 387335990 /nfs/dbraw/zinc/33/59/90/387335990.db2.gz ZQUIJEAQTKVJKX-GMTAPVOTSA-N 2 0 247.333 0.961 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)[C@@H]1C ZINC000423496777 387338961 /nfs/dbraw/zinc/33/89/61/387338961.db2.gz XQHPCCNEDXZULA-KKOKHZNYSA-N 2 0 212.337 0.999 20 0 BCADRP CC(C)[C@@H](C(=O)NCC1([NH3+])CCC1)[C@@H](C)[NH3+] ZINC000423502519 387343114 /nfs/dbraw/zinc/34/31/14/387343114.db2.gz CTWPRDWIGJHJHG-NXEZZACHSA-N 2 0 227.352 0.603 20 0 BCADRP CC1CC[NH+](CC(=O)NCCCC[NH3+])CC1 ZINC000423502636 387343409 /nfs/dbraw/zinc/34/34/09/387343409.db2.gz MDRCPXGLCKPKOJ-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000515173977 387343438 /nfs/dbraw/zinc/34/34/38/387343438.db2.gz AJBBSVGAFIPHGQ-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000572362331 387346751 /nfs/dbraw/zinc/34/67/51/387346751.db2.gz FVTZFALRNNVMHQ-GHMZBOCLSA-N 2 0 227.352 0.429 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000237849951 387347187 /nfs/dbraw/zinc/34/71/87/387347187.db2.gz LGDWFTJVTATGHL-SNVBAGLBSA-N 2 0 225.336 0.455 20 0 BCADRP COCC[N@@H+]1CC[C@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000643501247 387353013 /nfs/dbraw/zinc/35/30/13/387353013.db2.gz AWHPBNBNMIKHKH-OLZOCXBDSA-N 2 0 241.379 0.439 20 0 BCADRP COCC[N@@H+]1CC[C@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000643501249 387353148 /nfs/dbraw/zinc/35/31/48/387353148.db2.gz AWHPBNBNMIKHKH-STQMWFEESA-N 2 0 241.379 0.439 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000423781858 387424701 /nfs/dbraw/zinc/42/47/01/387424701.db2.gz YEXLPXRUSVYLCY-IJLUTSLNSA-N 2 0 237.347 0.434 20 0 BCADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000423781860 387425359 /nfs/dbraw/zinc/42/53/59/387425359.db2.gz YEXLPXRUSVYLCY-SDDRHHMPSA-N 2 0 237.347 0.434 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423788061 387427303 /nfs/dbraw/zinc/42/73/03/387427303.db2.gz BYVLIIITLZHGMP-YPMHNXCESA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](Cc1c[nH]cn1)C(=O)NCC[NH+](C)C ZINC000515864481 387430691 /nfs/dbraw/zinc/43/06/91/387430691.db2.gz DVVIYIZCSXRUSV-SECBINFHSA-N 2 0 224.308 0.266 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000515843137 387432885 /nfs/dbraw/zinc/43/28/85/387432885.db2.gz RSNYMWONHIVBLJ-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)CC1(C[NH3+])CC1 ZINC000423849483 387434034 /nfs/dbraw/zinc/43/40/34/387434034.db2.gz PCODPNASVAGVOA-UHFFFAOYSA-N 2 0 239.363 0.668 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423837652 387434450 /nfs/dbraw/zinc/43/44/50/387434450.db2.gz BGEKEDAIMDWROR-JQWIXIFHSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423838220 387435514 /nfs/dbraw/zinc/43/55/14/387435514.db2.gz BQYCUXYCZVAAOU-VIFPVBQESA-N 2 0 213.325 0.134 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000423849048 387435618 /nfs/dbraw/zinc/43/56/18/387435618.db2.gz PBEQJMFFVACTCY-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000374453184 387455225 /nfs/dbraw/zinc/45/52/25/387455225.db2.gz PEJRWKWHFGYPPU-RTXFEEFZSA-N 2 0 247.342 0.535 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423951711 387456841 /nfs/dbraw/zinc/45/68/41/387456841.db2.gz ZHBUPGJMIHKTRM-JTQLQIEISA-N 2 0 227.352 0.605 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423953213 387457211 /nfs/dbraw/zinc/45/72/11/387457211.db2.gz AXSUTXGEAXXRRB-IJLUTSLNSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H]1CN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C[C@@H]1[NH3+] ZINC000423953954 387458333 /nfs/dbraw/zinc/45/83/33/387458333.db2.gz BOTMFMDABYTRBP-WYUUTHIRSA-N 2 0 239.363 0.665 20 0 BCADRP CCC[C@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000423620293 387387338 /nfs/dbraw/zinc/38/73/38/387387338.db2.gz JHMVWJMCGASVHC-IJLUTSLNSA-N 2 0 241.379 0.973 20 0 BCADRP CCC[C@H](C(=O)N[C@H]1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000423620291 387388047 /nfs/dbraw/zinc/38/80/47/387388047.db2.gz JHMVWJMCGASVHC-GRYCIOLGSA-N 2 0 241.379 0.973 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)CC1(C[NH3+])CC1 ZINC000423632486 387388684 /nfs/dbraw/zinc/38/86/84/387388684.db2.gz JXHKMNYICACWEJ-NSHDSACASA-N 2 0 239.363 0.845 20 0 BCADRP C[C@H]([NH3+])c1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000423628826 387389361 /nfs/dbraw/zinc/38/93/61/387389361.db2.gz AYZFNNYYPWQDLM-JTQLQIEISA-N 2 0 235.331 0.998 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000423974748 387460141 /nfs/dbraw/zinc/46/01/41/387460141.db2.gz LDFILNOEFPLSRH-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C[NH+]1CCC(C)CC1 ZINC000423677318 387395383 /nfs/dbraw/zinc/39/53/83/387395383.db2.gz JVLWYJWADUFFAV-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H](C)[C@@H](C)[NH3+])[C@@H](C)[NH3+] ZINC000423684148 387396669 /nfs/dbraw/zinc/39/66/69/387396669.db2.gz QXDCWMLKSCRJQX-KYXWUPHJSA-N 2 0 215.341 0.458 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000336618699 387460303 /nfs/dbraw/zinc/46/03/03/387460303.db2.gz MGJBCVBZBBFQGL-WDEREUQCSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000373864156 387400334 /nfs/dbraw/zinc/40/03/34/387400334.db2.gz UVYHYKFJSKKBOP-NQBHXWOUSA-N 2 0 237.347 0.326 20 0 BCADRP C[NH2+]CCCC(=O)N(CCOC)CC[NH+](C)C ZINC000423746341 387406284 /nfs/dbraw/zinc/40/62/84/387406284.db2.gz QYARVGWXXBHQKF-UHFFFAOYSA-N 2 0 245.367 0.023 20 0 BCADRP COCCN(CC[NH+](C)C)C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000423750630 387409708 /nfs/dbraw/zinc/40/97/08/387409708.db2.gz XWSMLRWXWXDIII-WDEREUQCSA-N 2 0 245.367 0.006 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH3+] ZINC000423752406 387409850 /nfs/dbraw/zinc/40/98/50/387409850.db2.gz APILGYWGGNMPBS-UWVGGRQHSA-N 2 0 215.341 0.570 20 0 BCADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)C[NH3+] ZINC000423756698 387411559 /nfs/dbraw/zinc/41/15/59/387411559.db2.gz HLVRBHPOVIKQHY-UHFFFAOYSA-N 2 0 227.352 0.668 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000423760250 387413462 /nfs/dbraw/zinc/41/34/62/387413462.db2.gz PZCCNMLTIVKWGO-GFCCVEGCSA-N 2 0 239.363 0.524 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH3+] ZINC000423770424 387420371 /nfs/dbraw/zinc/42/03/71/387420371.db2.gz HMAFRWGNPNIHGI-JTQLQIEISA-N 2 0 229.368 0.960 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C[NH3+])OC ZINC000423778048 387423147 /nfs/dbraw/zinc/42/31/47/387423147.db2.gz SLWOIRSXZQKXRJ-QWRGUYRKSA-N 2 0 245.367 0.197 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000516292904 387496804 /nfs/dbraw/zinc/49/68/04/387496804.db2.gz KOFLHDFVHVUGMW-JTQLQIEISA-N 2 0 248.330 0.582 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000648110422 387501950 /nfs/dbraw/zinc/50/19/50/387501950.db2.gz JGNWGZHLXQCQIC-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422029444 387543009 /nfs/dbraw/zinc/54/30/09/387543009.db2.gz XZYDCLLFNPHRAS-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000374998101 387506814 /nfs/dbraw/zinc/50/68/14/387506814.db2.gz ZYOLVZVSHKYESV-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375256911 387518077 /nfs/dbraw/zinc/51/80/77/387518077.db2.gz WDSPPDTUVHQYFM-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP CC[NH+](CC)CC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000375244732 387518832 /nfs/dbraw/zinc/51/88/32/387518832.db2.gz IAHLMFZSVPIHMJ-CNDDSTCGSA-N 2 0 239.363 0.809 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000423991804 387462705 /nfs/dbraw/zinc/46/27/05/387462705.db2.gz FKEWSDSBEPFHEM-RYUDHWBXSA-N 2 0 241.379 0.772 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423981455 387462789 /nfs/dbraw/zinc/46/27/89/387462789.db2.gz XAIJRQSEYNFKMA-WYUUTHIRSA-N 2 0 239.363 0.807 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423981452 387462823 /nfs/dbraw/zinc/46/28/23/387462823.db2.gz XAIJRQSEYNFKMA-USZNOCQGSA-N 2 0 239.363 0.807 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423997947 387464052 /nfs/dbraw/zinc/46/40/52/387464052.db2.gz MABJEPWHWUAXAH-VXGBXAGGSA-N 2 0 241.379 0.772 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000424016992 387465462 /nfs/dbraw/zinc/46/54/62/387465462.db2.gz FEANVCVALARCGE-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000424021508 387468604 /nfs/dbraw/zinc/46/86/04/387468604.db2.gz QZMVFLHQLXDORI-VXGBXAGGSA-N 2 0 241.379 0.688 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424042247 387469170 /nfs/dbraw/zinc/46/91/70/387469170.db2.gz BENJZGIBOCBDJY-OUAUKWLOSA-N 2 0 227.352 0.761 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424046049 387470019 /nfs/dbraw/zinc/47/00/19/387470019.db2.gz PFZXBEVXLLRBQO-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP CC1CC[NH+](CC(=O)NC(C)(C)CC[NH3+])CC1 ZINC000424049230 387470851 /nfs/dbraw/zinc/47/08/51/387470851.db2.gz UHEJOXICPUSGHC-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424062377 387473927 /nfs/dbraw/zinc/47/39/27/387473927.db2.gz VFQOINKQPBSETO-QCLAVDOMSA-N 2 0 211.309 0.062 20 0 BCADRP C[C@H](O)C[NH+](C)C/C=C\C[N@@H+](C)C[C@H](C)O ZINC000361499872 387475096 /nfs/dbraw/zinc/47/50/96/387475096.db2.gz WOQQEXFDSULKBT-YGABWQLJSA-N 2 0 230.352 0.168 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424074065 387478534 /nfs/dbraw/zinc/47/85/34/387478534.db2.gz GOAVZZJXNFIBHG-UTLUCORTSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1NCC[NH2+]C1CC1 ZINC000643508041 387481629 /nfs/dbraw/zinc/48/16/29/387481629.db2.gz CYADGTYXHGNYFQ-ZYHUDNBSSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@H](Cn1cccn1)NCC[NH2+]C1CC1 ZINC000643507493 387486246 /nfs/dbraw/zinc/48/62/46/387486246.db2.gz GQIXCOGRCYJQFU-SNVBAGLBSA-N 2 0 208.309 0.613 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000643474569 387492108 /nfs/dbraw/zinc/49/21/08/387492108.db2.gz QEKDJEFPFMZLLK-IJLUTSLNSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC000430548919 387628188 /nfs/dbraw/zinc/62/81/88/387628188.db2.gz WUAIPDQYVWJHAH-NWDGAFQWSA-N 2 0 239.363 0.668 20 0 BCADRP CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC[NH3+] ZINC000375848635 387588009 /nfs/dbraw/zinc/58/80/09/387588009.db2.gz LFTMRJUSFLDXCP-RYUDHWBXSA-N 2 0 239.363 0.811 20 0 BCADRP CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@H](C)[NH3+] ZINC000375852738 387588207 /nfs/dbraw/zinc/58/82/07/387588207.db2.gz VBWBZBCTJAYUKF-SRVKXCTJSA-N 2 0 239.363 0.809 20 0 BCADRP CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H](C)[NH3+] ZINC000375852736 387588486 /nfs/dbraw/zinc/58/84/86/387588486.db2.gz VBWBZBCTJAYUKF-GRYCIOLGSA-N 2 0 239.363 0.809 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000238063539 387593271 /nfs/dbraw/zinc/59/32/71/387593271.db2.gz XYQHIHFTDKEOQI-WDEREUQCSA-N 2 0 225.336 0.326 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]([NH3+])C1CCC1 ZINC000422534825 387595357 /nfs/dbraw/zinc/59/53/57/387595357.db2.gz BRALFUZFAXZWQJ-SNVBAGLBSA-N 2 0 227.352 0.557 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000422545897 387596475 /nfs/dbraw/zinc/59/64/75/387596475.db2.gz XXYWJQWUVJCSLT-PSASIEDQSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422540182 387596534 /nfs/dbraw/zinc/59/65/34/387596534.db2.gz LMZUGQWLOGDXBL-ZNSHCXBVSA-N 2 0 227.352 0.413 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NC(C)(C)CC[NH3+] ZINC000422539046 387597038 /nfs/dbraw/zinc/59/70/38/387597038.db2.gz JGXBTUVAYZIQCP-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000422544041 387597583 /nfs/dbraw/zinc/59/75/83/387597583.db2.gz TYVJNAUEXRUETN-SNVBAGLBSA-N 2 0 213.325 0.230 20 0 BCADRP CCCC[N@H+](C)CCN[C@@H](C)C1C[NH2+]C1 ZINC000422715602 387629021 /nfs/dbraw/zinc/62/90/21/387629021.db2.gz SQGYDTXLWLDOHB-NSHDSACASA-N 2 0 213.369 0.916 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)NC(C)(C)CC[NH3+] ZINC000422600528 387604221 /nfs/dbraw/zinc/60/42/21/387604221.db2.gz UWZFQQDMAMQCQY-SNVBAGLBSA-N 2 0 244.383 0.753 20 0 BCADRP C[NH+](C)CCCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000041679633 387604716 /nfs/dbraw/zinc/60/47/16/387604716.db2.gz YKHSVPNBBTUVRA-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)NC)C1 ZINC000362385208 387605979 /nfs/dbraw/zinc/60/59/79/387605979.db2.gz ULDZQTKNVIRATM-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000041679630 387606099 /nfs/dbraw/zinc/60/60/99/387606099.db2.gz IKVAGNPNOUPVCD-SNVBAGLBSA-N 2 0 229.368 0.818 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422614232 387606731 /nfs/dbraw/zinc/60/67/31/387606731.db2.gz YEZOJDCKNGPBPG-DCAQKATOSA-N 2 0 242.367 0.458 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422614233 387607505 /nfs/dbraw/zinc/60/75/05/387607505.db2.gz YEZOJDCKNGPBPG-GARJFASQSA-N 2 0 242.367 0.458 20 0 BCADRP CC[NH2+]CCNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422611782 387607556 /nfs/dbraw/zinc/60/75/56/387607556.db2.gz SUEGBMDYIAUBDX-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP C[C@@H]1C[C@@H](C)[N@H+](CCOCC[NH3+])C[C@H]1C[NH3+] ZINC000422636571 387610190 /nfs/dbraw/zinc/61/01/90/387610190.db2.gz NCZGCUWIHLBNOJ-IJLUTSLNSA-N 3 0 229.368 0.267 20 0 BCADRP CC1CC[NH+](CC(=O)NCCC[NH3+])CC1 ZINC000422703841 387617973 /nfs/dbraw/zinc/61/79/73/387617973.db2.gz JBBUCAONHROZOV-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP CCC[C@H](C(=O)N1CC[C@@H]([NH3+])C1)[NH+](C)C ZINC000422712447 387625452 /nfs/dbraw/zinc/62/54/52/387625452.db2.gz OFNYVZCMVGCUSA-NXEZZACHSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCN1CCOCC1(C)C ZINC000422712284 387626241 /nfs/dbraw/zinc/62/62/41/387626241.db2.gz NUMWMEXKYOPOJN-VXGBXAGGSA-N 2 0 243.395 0.813 20 0 BCADRP C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000527534091 387627286 /nfs/dbraw/zinc/62/72/86/387627286.db2.gz ZCNXPCWUPHAEFK-VXGBXAGGSA-N 2 0 223.364 0.860 20 0 BCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000426347156 387559250 /nfs/dbraw/zinc/55/92/50/387559250.db2.gz RZTVJVGCYJJCAR-IRCOFANPSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC000430548499 387627371 /nfs/dbraw/zinc/62/73/71/387627371.db2.gz WUAIPDQYVWJHAH-NEPJUHHUSA-N 2 0 239.363 0.668 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C)[C@@H](C)[NH3+] ZINC000399640657 387563943 /nfs/dbraw/zinc/56/39/43/387563943.db2.gz KCBGKNDBRBCNHM-UTUOFQBUSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)[C@H](C(=O)NCC[NH+]1CCCC1)[C@@H](C)[NH3+] ZINC000399694017 387566058 /nfs/dbraw/zinc/56/60/58/387566058.db2.gz YVCTXJWCOKQLDK-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[C@@H](C(=O)NCC[NH+]1CCCC1)[C@@H](C)[NH3+] ZINC000399694023 387566306 /nfs/dbraw/zinc/56/63/06/387566306.db2.gz YVCTXJWCOKQLDK-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000038042291 387569680 /nfs/dbraw/zinc/56/96/80/387569680.db2.gz PZZWQFRSXOVIAT-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP [NH3+]CC1CC[NH+](CC(=O)NCC2CCC2)CC1 ZINC000430654238 387639108 /nfs/dbraw/zinc/63/91/08/387639108.db2.gz PXNBIRLUNHTTPS-UHFFFAOYSA-N 2 0 239.363 0.573 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C1([NH3+])CCCC1)C1CC1 ZINC000430690575 387640790 /nfs/dbraw/zinc/64/07/90/387640790.db2.gz IKHARPVHOACPQD-NSHDSACASA-N 2 0 239.363 0.714 20 0 BCADRP CCC[C@@H](C(=O)NCCC[NH2+]C)[NH+](C)C ZINC000422733868 387641008 /nfs/dbraw/zinc/64/10/08/387641008.db2.gz RUFDKYPGQKAJSJ-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430723177 387644326 /nfs/dbraw/zinc/64/43/26/387644326.db2.gz OGJPAKHRWYYCSS-GHMZBOCLSA-N 2 0 241.379 0.864 20 0 BCADRP CN(C(=O)[C@]1(F)CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000125276679 387647878 /nfs/dbraw/zinc/64/78/78/387647878.db2.gz BTTUEKIIXRTCBZ-LBPRGKRZSA-N 2 0 243.326 0.241 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH3+])C1 ZINC000430792654 387651686 /nfs/dbraw/zinc/65/16/86/387651686.db2.gz IHYQLJABGPBNNV-SNVBAGLBSA-N 2 0 213.325 0.135 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH3+])C1 ZINC000430792649 387652105 /nfs/dbraw/zinc/65/21/05/387652105.db2.gz IHYQLJABGPBNNV-JTQLQIEISA-N 2 0 213.325 0.135 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)[NH3+])[C@@H](C)C1 ZINC000430802803 387654315 /nfs/dbraw/zinc/65/43/15/387654315.db2.gz OFXGRIOYBZKCSS-SRVKXCTJSA-N 2 0 241.379 0.912 20 0 BCADRP COCCC[N@H+](C)CCNC(=O)[C@H]([NH3+])C(C)C ZINC000430811626 387654678 /nfs/dbraw/zinc/65/46/78/387654678.db2.gz QTCLOGKYBBXKNB-LLVKDONJSA-N 2 0 245.367 0.054 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000362769640 387658048 /nfs/dbraw/zinc/65/80/48/387658048.db2.gz NCCKYKRGZWIMEP-RYUDHWBXSA-N 2 0 241.379 0.641 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430896936 387658483 /nfs/dbraw/zinc/65/84/83/387658483.db2.gz LRKJVBATWGHPFJ-ZYHUDNBSSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CC[NH3+] ZINC000430898251 387659165 /nfs/dbraw/zinc/65/91/65/387659165.db2.gz VGZMUCONFKGXJL-PHIMTYICSA-N 2 0 227.352 0.714 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430889283 387659295 /nfs/dbraw/zinc/65/92/95/387659295.db2.gz KRAXNZAQDYHBOR-VXGBXAGGSA-N 2 0 239.363 0.809 20 0 BCADRP Cn1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)nn1 ZINC000430944362 387664098 /nfs/dbraw/zinc/66/40/98/387664098.db2.gz SXYBDHMUFOLGMA-UHFFFAOYSA-N 2 0 235.335 0.391 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000431023853 387670261 /nfs/dbraw/zinc/67/02/61/387670261.db2.gz JHTUYAPGDSKJPT-DLOVCJGASA-N 2 0 237.347 0.337 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000431021692 387671134 /nfs/dbraw/zinc/67/11/34/387671134.db2.gz ARYGVWRYDLLVTK-LSJOCFKGSA-N 2 0 225.336 0.323 20 0 BCADRP CCC[C@@H](C(=O)NC[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000422770420 387671456 /nfs/dbraw/zinc/67/14/56/387671456.db2.gz WPBPBZRWVQOUMI-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP COCCOCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431025423 387671623 /nfs/dbraw/zinc/67/16/23/387671623.db2.gz STFLAXGZIFBMDN-UHFFFAOYSA-N 2 0 242.363 0.725 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000431032258 387672116 /nfs/dbraw/zinc/67/21/16/387672116.db2.gz ILQMUVYMCQHWCY-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[C@@H](C(=O)N1CCC[C@H]([NH2+]C)C1)[NH+](C)C ZINC000422775040 387673195 /nfs/dbraw/zinc/67/31/95/387673195.db2.gz ZNIBPWOLNQFUSQ-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)c1c[nH+]ccc1N(C)C ZINC000422779236 387677201 /nfs/dbraw/zinc/67/72/01/387677201.db2.gz IDIHDKPUMDBYIE-VIFPVBQESA-N 2 0 236.319 0.615 20 0 BCADRP CCC[C@H](C(=O)NCC[C@@H](C)[NH3+])[NH+](C)C ZINC000422782866 387681902 /nfs/dbraw/zinc/68/19/02/387681902.db2.gz NOIHAIPSEOERHE-NXEZZACHSA-N 2 0 215.341 0.570 20 0 BCADRP CCCCNC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514424 387686128 /nfs/dbraw/zinc/68/61/28/387686128.db2.gz KGSRUQZYKROQGI-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000422744185 387688753 /nfs/dbraw/zinc/68/87/53/387688753.db2.gz SKSOKIUJVJNKSJ-WZRBSPASSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000422744183 387691369 /nfs/dbraw/zinc/69/13/69/387691369.db2.gz SKSOKIUJVJNKSJ-NTZNESFSSA-N 2 0 223.364 0.811 20 0 BCADRP COCCC[N@H+](C)CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422791418 387694010 /nfs/dbraw/zinc/69/40/10/387694010.db2.gz YJBUOAXNECYGDC-VXGBXAGGSA-N 2 0 231.384 0.670 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000377739766 387747342 /nfs/dbraw/zinc/74/73/42/387747342.db2.gz BPQSCDIRBPWXKG-NWDGAFQWSA-N 2 0 241.379 0.688 20 0 BCADRP CCCN(C(=O)CC1(C[NH3+])CC1)[C@@H]1CC[NH2+]C1 ZINC000422802389 387703081 /nfs/dbraw/zinc/70/30/81/387703081.db2.gz HLICEHBXZLEHLS-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000377306899 387710786 /nfs/dbraw/zinc/71/07/86/387710786.db2.gz HUZNSFNKTQYACB-KKJSVHSVSA-N 2 0 239.363 0.556 20 0 BCADRP COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000127336048 387711530 /nfs/dbraw/zinc/71/15/30/387711530.db2.gz VQLCFBYGTNJVSP-IJLUTSLNSA-N 2 0 230.352 0.408 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@H]([NH3+])C(C)C ZINC000157024903 387712587 /nfs/dbraw/zinc/71/25/87/387712587.db2.gz SSBCDOYMZYQBLG-JTQLQIEISA-N 2 0 215.341 0.428 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000377389803 387712947 /nfs/dbraw/zinc/71/29/47/387712947.db2.gz IIINHDFFTWJERE-GVXVVHGQSA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000377389804 387713684 /nfs/dbraw/zinc/71/36/84/387713684.db2.gz IIINHDFFTWJERE-LOWVWBTDSA-N 2 0 237.347 0.326 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000629613830 387713860 /nfs/dbraw/zinc/71/38/60/387713860.db2.gz UBBVGHIJGSEMAL-HBNTYKKESA-N 2 0 227.352 0.583 20 0 BCADRP CC[C@H](C(=O)N[C@H](C)[C@H](C)[NH3+])[NH+](C)C ZINC000629614015 387714022 /nfs/dbraw/zinc/71/40/22/387714022.db2.gz VIRGNPIUAPLSMK-DJLDLDEBSA-N 2 0 201.314 0.179 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)c1c[nH+]ccc1N ZINC000127525284 387716201 /nfs/dbraw/zinc/71/62/01/387716201.db2.gz IUQXHRMOWMCHLE-SECBINFHSA-N 2 0 236.319 0.734 20 0 BCADRP C[C@H](N[C@H]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000643522748 387721559 /nfs/dbraw/zinc/72/15/59/387721559.db2.gz BYUAIRTXCAABAM-SDDRHHMPSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000377562818 387725137 /nfs/dbraw/zinc/72/51/37/387725137.db2.gz KUJVRYIRUWMRJW-VWYCJHECSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000377569248 387729680 /nfs/dbraw/zinc/72/96/80/387729680.db2.gz VNHLPWCEGAGZJG-SRRSOLGSSA-N 2 0 237.347 0.324 20 0 BCADRP COCC[N@H+](C)CCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422843747 387730388 /nfs/dbraw/zinc/73/03/88/387730388.db2.gz JIOVJFZMOJVXHC-RYUDHWBXSA-N 2 0 229.368 0.424 20 0 BCADRP CCC[C@H](C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)[NH+](C)C ZINC000422843123 387731117 /nfs/dbraw/zinc/73/11/17/387731117.db2.gz HCNMOAPVLULSNA-SDDRHHMPSA-N 2 0 241.379 0.912 20 0 BCADRP COCC[N@H+](C)CCCN[C@H](C)C[C@H](C)[NH3+] ZINC000422840734 387732728 /nfs/dbraw/zinc/73/27/28/387732728.db2.gz CAFYVSAESPHKPC-NWDGAFQWSA-N 2 0 231.384 0.670 20 0 BCADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000422848608 387734351 /nfs/dbraw/zinc/73/43/51/387734351.db2.gz AXYINMFMNVBZLU-OUAUKWLOSA-N 2 0 209.337 0.563 20 0 BCADRP CO[C@@H]1C[C@H]([NH2+][C@H](C)C2C[NH2+]C2)C1(C)C ZINC000422854297 387738039 /nfs/dbraw/zinc/73/80/39/387738039.db2.gz UAPMQDTVCKMHNY-DVVUODLYSA-N 2 0 212.337 0.997 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000367648885 387738302 /nfs/dbraw/zinc/73/83/02/387738302.db2.gz NKUKNDDRCNHVEM-UWVGGRQHSA-N 2 0 225.336 0.324 20 0 BCADRP CCC[C@@H](C(=O)NC[C@H]([NH3+])C(C)C)[NH+](C)C ZINC000422856567 387740352 /nfs/dbraw/zinc/74/03/52/387740352.db2.gz WYIQCVIBHHYEOR-QWRGUYRKSA-N 2 0 229.368 0.816 20 0 BCADRP COC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000129145821 387763357 /nfs/dbraw/zinc/76/33/57/387763357.db2.gz HCXAGAROAJLFSV-RYUDHWBXSA-N 2 0 240.347 0.966 20 0 BCADRP COCC[N@@H+]1CC[C@H](N[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422892902 387763695 /nfs/dbraw/zinc/76/36/95/387763695.db2.gz ZSDWLCWJDGTOBS-AVGNSLFASA-N 2 0 241.379 0.437 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000163561752 387764694 /nfs/dbraw/zinc/76/46/94/387764694.db2.gz LMBRUOJQCSWRNB-SECBINFHSA-N 2 0 247.408 0.523 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000441605263 387770784 /nfs/dbraw/zinc/77/07/84/387770784.db2.gz QYPXIUPOZVQSLS-LLVKDONJSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)C[C@@H](CNC(=O)C[NH+](C)C)[NH+](C)C ZINC000442645589 387812093 /nfs/dbraw/zinc/81/20/93/387812093.db2.gz DZRUXQAIAVVROJ-NSHDSACASA-N 2 0 229.368 0.641 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000441626498 387772783 /nfs/dbraw/zinc/77/27/83/387772783.db2.gz YAGYLEPMJVENMY-KXNHARMFSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000157273874 387777565 /nfs/dbraw/zinc/77/75/65/387777565.db2.gz VXSRHWAEVHNBIY-VHSXEESVSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000422925214 387779818 /nfs/dbraw/zinc/77/98/18/387779818.db2.gz ZWQMWYRUUKJMJO-YBXAARCKSA-N 2 0 239.363 0.711 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000433162627 387782069 /nfs/dbraw/zinc/78/20/69/387782069.db2.gz VDMGVNORAMDVOE-SDDRHHMPSA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)C(=O)NC[C@H]1CCCN(C[C@H](C)[NH3+])C1 ZINC000442659134 387813638 /nfs/dbraw/zinc/81/36/38/387813638.db2.gz KJDHGZHDMOHEPE-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH+](C)CCC1CCN(C(=O)C[NH+](C)C)CC1 ZINC000442645520 387812863 /nfs/dbraw/zinc/81/28/63/387812863.db2.gz FXOYDWSYZBEEPI-UHFFFAOYSA-N 2 0 241.379 0.738 20 0 BCADRP C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)C1C[NH2+]C1 ZINC000422992519 387799539 /nfs/dbraw/zinc/79/95/39/387799539.db2.gz CUVBFSVVSJPAQN-MWLCHTKSSA-N 2 0 214.353 0.981 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)C1CC[NH2+]CC1 ZINC000309478769 387805436 /nfs/dbraw/zinc/80/54/36/387805436.db2.gz CTXQKDHHSRCJAM-SECBINFHSA-N 2 0 213.325 0.052 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@](C)(O)COC)CC1 ZINC000309472604 387807197 /nfs/dbraw/zinc/80/71/97/387807197.db2.gz RAQFWWPNOLQFOV-LBPRGKRZSA-N 2 0 230.352 0.458 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442621119 387808025 /nfs/dbraw/zinc/80/80/25/387808025.db2.gz OUGNHDVBTWGPMP-LBPRGKRZSA-N 2 0 241.379 0.914 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442613136 387808591 /nfs/dbraw/zinc/80/85/91/387808591.db2.gz AUVFBAKZIGLTLJ-UTUOFQBUSA-N 2 0 241.379 0.947 20 0 BCADRP CC[C@H]([NH2+]CC(C)(C)C(=O)NC)[C@@H]1CCC[NH2+]1 ZINC000422964127 387813547 /nfs/dbraw/zinc/81/35/47/387813547.db2.gz HYKOXBPJADUKBC-QWRGUYRKSA-N 2 0 241.379 0.879 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H](C)[NH3+])[C@H](C)C1 ZINC000442667704 387819947 /nfs/dbraw/zinc/81/99/47/387819947.db2.gz ZRDLKLVNBDQFIP-UTUOFQBUSA-N 2 0 213.369 0.996 20 0 BCADRP CC[C@@H](CCO)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422973718 387824131 /nfs/dbraw/zinc/82/41/31/387824131.db2.gz CKVZXLDUCRGGOK-OUAUKWLOSA-N 2 0 200.326 0.878 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2COC2)[C@@H](C)C1 ZINC000528023090 387828884 /nfs/dbraw/zinc/82/88/84/387828884.db2.gz DIKCUNGSEGAYKB-CMPLNLGQSA-N 2 0 212.337 0.953 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000423008754 387831423 /nfs/dbraw/zinc/83/14/23/387831423.db2.gz UMZKTGMIJSGXFM-TUAOUCFPSA-N 2 0 244.404 0.962 20 0 BCADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCNc1ccccn1 ZINC000423010299 387833520 /nfs/dbraw/zinc/83/35/20/387833520.db2.gz XKHNECMVCMHBDO-WDEREUQCSA-N 2 0 220.320 0.963 20 0 BCADRP C[NH2+]CCCNC(=O)CC1CC[NH2+]CC1 ZINC000309615555 387834831 /nfs/dbraw/zinc/83/48/31/387834831.db2.gz DWIUNCOXSNGYPL-UHFFFAOYSA-N 2 0 213.325 0.102 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C[N@@H+]1C1CC1 ZINC000424158627 387836151 /nfs/dbraw/zinc/83/61/51/387836151.db2.gz UDEDJAXJICGKGW-MKHNBGRSSA-N 2 0 223.320 0.075 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423029443 387845378 /nfs/dbraw/zinc/84/53/78/387845378.db2.gz AHNONIAUKPBVFO-STQMWFEESA-N 3 0 243.395 0.814 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[NH+]1CCC(C)CC1 ZINC000424163094 387845489 /nfs/dbraw/zinc/84/54/89/387845489.db2.gz XIZYNBDGCQKHGR-TUAOUCFPSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](NC[C@]1(O)CC[N@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423033446 387848656 /nfs/dbraw/zinc/84/86/56/387848656.db2.gz GRQNZEXYXHDOEF-YNEHKIRRSA-N 2 0 241.379 0.173 20 0 BCADRP C[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423033439 387848993 /nfs/dbraw/zinc/84/89/93/387848993.db2.gz GRQNZEXYXHDOEF-AGIUHOORSA-N 2 0 241.379 0.173 20 0 BCADRP C[C@H]1[C@@H](NC2CC[NH2+]CC2)CCC[N@@H+]1C ZINC000423036413 387850381 /nfs/dbraw/zinc/85/03/81/387850381.db2.gz TZOWDYWYQQUECS-JQWIXIFHSA-N 2 0 211.353 0.811 20 0 BCADRP C[NH+](C)CC(=O)N1CCN[C@H](c2ccccc2)C1 ZINC000062622716 387854242 /nfs/dbraw/zinc/85/42/42/387854242.db2.gz OSTNQYDENQZVJD-ZDUSSCGKSA-N 2 0 247.342 0.721 20 0 BCADRP CC(C)OC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193629327 387857701 /nfs/dbraw/zinc/85/77/01/387857701.db2.gz DNAIVNOCVWCRPN-XQQFMLRXSA-N 2 0 242.363 0.266 20 0 BCADRP CC[C@@H](CO)[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423058337 387865931 /nfs/dbraw/zinc/86/59/31/387865931.db2.gz JKQNAEWUIIHKES-DCAQKATOSA-N 2 0 200.326 0.735 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000433116689 387866463 /nfs/dbraw/zinc/86/64/63/387866463.db2.gz LOIXQYHDHKRMQW-DCAQKATOSA-N 2 0 227.352 0.461 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000433123171 387867167 /nfs/dbraw/zinc/86/71/67/387867167.db2.gz UDFMVZDZOIXYEP-WOPDTQHZSA-N 2 0 241.379 0.803 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](C[NH3+])C(C)C ZINC000433129555 387867239 /nfs/dbraw/zinc/86/72/39/387867239.db2.gz NZZUCIXVELFGTC-GHMZBOCLSA-N 2 0 229.368 0.851 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C[NH3+])C(C)C ZINC000433129202 387867959 /nfs/dbraw/zinc/86/79/59/387867959.db2.gz YSIOIFXTEDVBSK-GHMZBOCLSA-N 2 0 227.352 0.428 20 0 BCADRP [NH3+]C1CC[NH+](CCCC(=O)NCC2CC2)CC1 ZINC000433137225 387868826 /nfs/dbraw/zinc/86/88/26/387868826.db2.gz ZSQDIFJTGBNAJS-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424154225 387814175 /nfs/dbraw/zinc/81/41/75/387814175.db2.gz LGWJFRZEQNOSHT-KKOKHZNYSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@@H]([NH2+]CC(C)(C)C(=O)NC)[C@@H]1CCC[NH2+]1 ZINC000422964126 387814550 /nfs/dbraw/zinc/81/45/50/387814550.db2.gz HYKOXBPJADUKBC-MNOVXSKESA-N 2 0 241.379 0.879 20 0 BCADRP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422964845 387814721 /nfs/dbraw/zinc/81/47/21/387814721.db2.gz JWRDJOIHXLSYDY-WDEREUQCSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]([NH3+])CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000442667077 387819078 /nfs/dbraw/zinc/81/90/78/387819078.db2.gz VDBQPVNPPMQRMM-WCQYABFASA-N 2 0 225.380 0.997 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NCCC[NH3+] ZINC000418317738 387819664 /nfs/dbraw/zinc/81/96/64/387819664.db2.gz YUFLWYBSWUVZKA-UHFFFAOYSA-N 2 0 216.329 0.152 20 0 BCADRP Cc1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])n(C)n1 ZINC000423113813 387896946 /nfs/dbraw/zinc/89/69/46/387896946.db2.gz ZGNSAPVATINXES-PWSUYJOCSA-N 2 0 222.336 0.946 20 0 BCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424181702 387897318 /nfs/dbraw/zinc/89/73/18/387897318.db2.gz RYKFVIFYEGHEGG-WHOHXGKFSA-N 2 0 237.347 0.276 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537236 387875650 /nfs/dbraw/zinc/87/56/50/387875650.db2.gz BOHUJULCLFQLRP-BLFANLJRSA-N 2 0 241.354 0.759 20 0 BCADRP CC[C@@H]1CN(CC[NH2+][C@H](C)CCC[NH3+])CCO1 ZINC000423079736 387876449 /nfs/dbraw/zinc/87/64/49/387876449.db2.gz APIAZEDQMGMGOL-CHWSQXEVSA-N 2 0 243.395 0.814 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538882 387877602 /nfs/dbraw/zinc/87/76/02/387877602.db2.gz YTZPZLUHGZFJNE-NAKRPEOUSA-N 2 0 215.316 0.274 20 0 BCADRP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000643539131 387877621 /nfs/dbraw/zinc/87/76/21/387877621.db2.gz RUDLMTDLINQTHZ-LVEVGFFFSA-N 2 0 210.321 0.751 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC(C)(C)C[NH3+] ZINC000151857068 387879646 /nfs/dbraw/zinc/87/96/46/387879646.db2.gz ZOIYAKCIQIDSAR-UHFFFAOYSA-N 2 0 201.314 0.180 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424177585 387886802 /nfs/dbraw/zinc/88/68/02/387886802.db2.gz PWGKHFLLOQSRJP-BBBLOLIVSA-N 2 0 211.309 0.064 20 0 BCADRP CC(C)[C@@H](CO)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423101061 387887789 /nfs/dbraw/zinc/88/77/89/387887789.db2.gz CIAOOZOTUGTPOR-QJPTWQEYSA-N 2 0 214.353 0.981 20 0 BCADRP C[NH+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000167967332 387918494 /nfs/dbraw/zinc/91/84/94/387918494.db2.gz PFAJQRXQAHPLSZ-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC([NH3+])CC1 ZINC000236887948 387910593 /nfs/dbraw/zinc/91/05/93/387910593.db2.gz LFAJIWLXTMWGCI-SCZZXKLOSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]([NH2+]C[C@@H](CO)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423134733 387912235 /nfs/dbraw/zinc/91/22/35/387912235.db2.gz FCBXHOUYAAVWBX-USWWRNFRSA-N 2 0 212.337 0.735 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000418343718 387914245 /nfs/dbraw/zinc/91/42/45/387914245.db2.gz APJQYTDMTIKSEQ-GARJFASQSA-N 2 0 240.351 0.260 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]C ZINC000429391759 387915870 /nfs/dbraw/zinc/91/58/70/387915870.db2.gz BCENZLDKVQAILS-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@H]([NH2+]CC[C@@](C)(O)COC)[C@@H]1CCC[NH2+]1 ZINC000423143464 387919673 /nfs/dbraw/zinc/91/96/73/387919673.db2.gz DEDWISWXCNXULK-FRRDWIJNSA-N 2 0 244.379 0.894 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000238031836 387931334 /nfs/dbraw/zinc/93/13/34/387931334.db2.gz YMSKLFWKXVIIKY-ZDUSSCGKSA-N 2 0 247.342 0.884 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCCCO)CC[N@@H+]1C ZINC000158152008 387935071 /nfs/dbraw/zinc/93/50/71/387935071.db2.gz XRPTUNGOCMCTMM-QWRGUYRKSA-N 2 0 200.326 0.831 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCCCO)CC[N@@H+]1C ZINC000158151588 387935561 /nfs/dbraw/zinc/93/55/61/387935561.db2.gz XRPTUNGOCMCTMM-GHMZBOCLSA-N 2 0 200.326 0.831 20 0 BCADRP CC1(C)CN(C(=O)CCCC[NH3+])CC[NH2+]1 ZINC000514672435 387921504 /nfs/dbraw/zinc/92/15/04/387921504.db2.gz QHJXLSZQJPAVHK-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000237137351 387921632 /nfs/dbraw/zinc/92/16/32/387921632.db2.gz LQLPHKHXMGKANV-DTWKUNHWSA-N 2 0 215.341 0.332 20 0 BCADRP CCN1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1=O ZINC000423150192 387927849 /nfs/dbraw/zinc/92/78/49/387927849.db2.gz IIOINAYVLXUWIA-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP CCN(C)C(=O)CC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424289020 387952853 /nfs/dbraw/zinc/95/28/53/387952853.db2.gz LGFNKKHBPSGCNF-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP CCN1C[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])CC1=O ZINC000423158419 387939400 /nfs/dbraw/zinc/93/94/00/387939400.db2.gz WRUCLGACZUXLOB-OPRDCNLKSA-N 2 0 213.325 0.323 20 0 BCADRP C[NH2+]CCCN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000309621667 387942352 /nfs/dbraw/zinc/94/23/52/387942352.db2.gz HQDPFFSFVKHDSB-GFCCVEGCSA-N 2 0 211.353 0.671 20 0 BCADRP [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424248481 387944568 /nfs/dbraw/zinc/94/45/68/387944568.db2.gz UVFJTWULISQOIA-GWOFURMSSA-N 2 0 225.336 0.500 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000392248844 387944657 /nfs/dbraw/zinc/94/46/57/387944657.db2.gz SRTXUGMFAJZVCL-OLZOCXBDSA-N 2 0 223.364 0.965 20 0 BCADRP c1cn([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)nn1 ZINC000424258896 387944667 /nfs/dbraw/zinc/94/46/67/387944667.db2.gz CLHIOZLBVIZXAK-ZDUSSCGKSA-N 2 0 249.362 0.915 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000392248845 387946182 /nfs/dbraw/zinc/94/61/82/387946182.db2.gz SRTXUGMFAJZVCL-QWHCGFSZSA-N 2 0 223.364 0.965 20 0 BCADRP C[NH2+]CCCC(=O)NCCNc1cc[nH+]cc1 ZINC000645642110 387948186 /nfs/dbraw/zinc/94/81/86/387948186.db2.gz HIZLSMSLMVKARQ-UHFFFAOYSA-N 2 0 236.319 0.031 20 0 BCADRP c1cn([C@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)nn1 ZINC000424298380 387958898 /nfs/dbraw/zinc/95/88/98/387958898.db2.gz DBRVWOLQPJOLHE-STQMWFEESA-N 2 0 249.362 0.915 20 0 BCADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)[C@H]1C[C@H]1C ZINC000423176986 387962827 /nfs/dbraw/zinc/96/28/27/387962827.db2.gz DGPLWRIDQVCBOG-AGIUHOORSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)[C@H]1C ZINC000423193825 387979429 /nfs/dbraw/zinc/97/94/29/387979429.db2.gz XFIZVBRUZDETNK-FRRDWIJNSA-N 2 0 225.380 0.916 20 0 BCADRP [NH3+]CCc1nc(C2([NH3+])CCCCC2)no1 ZINC000424337614 387981046 /nfs/dbraw/zinc/98/10/46/387981046.db2.gz LNTDUBXGSCLXMJ-UHFFFAOYSA-N 2 0 210.281 0.689 20 0 BCADRP C[C@@H]1CC2(C[N@@H+]1Cc1cnnn1C)CC[NH2+]CC2 ZINC000424368493 387991983 /nfs/dbraw/zinc/99/19/83/387991983.db2.gz AAWMPJCURXPTSA-LLVKDONJSA-N 2 0 249.362 0.779 20 0 BCADRP COc1ccc2c(c1)C[C@H](N[C@H]1CC[NH2+]C1)CO2 ZINC000423212499 387994769 /nfs/dbraw/zinc/99/47/69/387994769.db2.gz JPKHGPMSTYXHEA-RYUDHWBXSA-N 2 0 248.326 0.950 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H]1CCC[NH2+]C1 ZINC000423210607 387995355 /nfs/dbraw/zinc/99/53/55/387995355.db2.gz KCDOZLWINMHELK-WOPDTQHZSA-N 2 0 211.353 0.526 20 0 BCADRP CC[C@@H](N[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423196590 387982283 /nfs/dbraw/zinc/98/22/83/387982283.db2.gz VQEPEDXIUFKBTK-TUAOUCFPSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423200098 387985272 /nfs/dbraw/zinc/98/52/72/387985272.db2.gz LQWICXTUOAFVFP-SNVBAGLBSA-N 2 0 227.352 0.892 20 0 BCADRP C[NH2+]CCCN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423200327 387985827 /nfs/dbraw/zinc/98/58/27/387985827.db2.gz LVEBNANFCIWRAK-CMPLNLGQSA-N 2 0 211.353 0.668 20 0 BCADRP C[NH2+]CCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000423200568 387986291 /nfs/dbraw/zinc/98/62/91/387986291.db2.gz MPOKJXITYDNHQT-QJPTWQEYSA-N 2 0 213.369 0.914 20 0 BCADRP C[C@@]1(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)CC[NH2+]C1 ZINC000424371885 387997484 /nfs/dbraw/zinc/99/74/84/387997484.db2.gz VWWGONXHUCBQST-CHWSQXEVSA-N 2 0 249.362 0.915 20 0 BCADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C2)[C@@H]2CCC[C@@H]21 ZINC000423217922 387998894 /nfs/dbraw/zinc/99/88/94/387998894.db2.gz STSMDFUDXQTYRF-VOAKCMCISA-N 2 0 223.364 0.811 20 0 BCADRP C[C@H]([NH2+]CCCCS(C)(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000424375678 387999120 /nfs/dbraw/zinc/99/91/20/387999120.db2.gz KQLUETJBFQEOFV-QWRGUYRKSA-N 2 0 248.392 0.541 20 0 BCADRP C[C@@H]1CC2(C[N@@H+]1Cc1cn(C)nn1)CC[NH2+]CC2 ZINC000424383867 388000971 /nfs/dbraw/zinc/00/09/71/388000971.db2.gz UQQMHXYXOUQXFR-LLVKDONJSA-N 2 0 249.362 0.779 20 0 BCADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C2)[C@@H]1C ZINC000423219965 388002234 /nfs/dbraw/zinc/00/22/34/388002234.db2.gz XDIDNJGTCLNWHS-RHYQMDGZSA-N 2 0 240.347 0.916 20 0 BCADRP C[C@H]([NH3+])CCN[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423226371 388008988 /nfs/dbraw/zinc/00/89/88/388008988.db2.gz QMERZEOKSUIOCO-SCVCMEIPSA-N 2 0 211.353 0.796 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000446270476 388009429 /nfs/dbraw/zinc/00/94/29/388009429.db2.gz STCNJOBUEJXWHN-SRVKXCTJSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424370986 387996331 /nfs/dbraw/zinc/99/63/31/387996331.db2.gz FLPMIKUPOMHMRF-KKOKHZNYSA-N 2 0 211.353 0.796 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424472990 388015926 /nfs/dbraw/zinc/01/59/26/388015926.db2.gz GLMOUEAVCJHHPB-GMTAPVOTSA-N 2 0 242.367 0.411 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000082257206 388019348 /nfs/dbraw/zinc/01/93/48/388019348.db2.gz CXGXMNBAPXYCGX-JTQLQIEISA-N 2 0 239.363 0.857 20 0 BCADRP C[NH2+]CCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423237678 388021191 /nfs/dbraw/zinc/02/11/91/388021191.db2.gz DMGVKGPUSQACKD-DGCLKSJQSA-N 2 0 221.348 0.754 20 0 BCADRP C[NH2+]CCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423237680 388021410 /nfs/dbraw/zinc/02/14/10/388021410.db2.gz DMGVKGPUSQACKD-YPMHNXCESA-N 2 0 221.348 0.754 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000161966549 388032322 /nfs/dbraw/zinc/03/23/22/388032322.db2.gz JTAJVWPMXAOIMC-DGCLKSJQSA-N 2 0 241.379 0.818 20 0 BCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C[NH+](C)C ZINC000440261174 388037711 /nfs/dbraw/zinc/03/77/11/388037711.db2.gz RCLVYJSDPFIOBY-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH2+]CC1 ZINC000424482619 388040415 /nfs/dbraw/zinc/04/04/15/388040415.db2.gz URCTZYGUIZLJBH-GHMZBOCLSA-N 2 0 240.351 0.308 20 0 BCADRP CC(C)C[C@H](C[NH3+])N[C@H]1C[N@H+](C)C[C@@H]1C ZINC000423262668 388040417 /nfs/dbraw/zinc/04/04/17/388040417.db2.gz NCRRWYYDAUMBJU-TUAOUCFPSA-N 2 0 213.369 0.900 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000082737773 388040649 /nfs/dbraw/zinc/04/06/49/388040649.db2.gz GQLOHTCZISBKHY-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP CC[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)[C@H](O)C(F)F ZINC000453266004 388030354 /nfs/dbraw/zinc/03/03/54/388030354.db2.gz DTJQMMNIENDQDT-QEYWKRMJSA-N 2 0 236.306 0.931 20 0 BCADRP COC(=O)CC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000156754236 388030661 /nfs/dbraw/zinc/03/06/61/388030661.db2.gz ZJOPYCOHLVZWSX-SNVBAGLBSA-N 2 0 216.325 0.855 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)[C@H]1C[NH3+] ZINC000156916834 388056732 /nfs/dbraw/zinc/05/67/32/388056732.db2.gz FKUHLYBTPJLSGH-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423278845 388059785 /nfs/dbraw/zinc/05/97/85/388059785.db2.gz RRQBHCOQUPXPJF-TUAOUCFPSA-N 3 0 213.369 0.949 20 0 BCADRP CC[C@@H](NC[C@H](C)C[NH2+]C)[C@@H]1CCC[NH2+]1 ZINC000423278759 388060804 /nfs/dbraw/zinc/06/08/04/388060804.db2.gz RLCMUBOLRJWQDL-UTUOFQBUSA-N 2 0 213.369 0.962 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C[NH3+])C1 ZINC000083903353 388064539 /nfs/dbraw/zinc/06/45/39/388064539.db2.gz GVXKFRBUDKVILR-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)([NH3+])C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000083889466 388065264 /nfs/dbraw/zinc/06/52/64/388065264.db2.gz IRBKSHOGODMEFC-UHFFFAOYSA-N 2 0 239.363 0.714 20 0 BCADRP CCN1C[C@@H](C)[C@H]([NH2+][C@@H]2CCC[C@H]2O)C1 ZINC000453402412 388074037 /nfs/dbraw/zinc/07/40/37/388074037.db2.gz FXPUAOWDWUQFPV-DDHJBXDOSA-N 2 0 212.337 0.830 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000447507666 388074150 /nfs/dbraw/zinc/07/41/50/388074150.db2.gz ILSLYOSNLJWUTC-TUAOUCFPSA-N 2 0 241.379 0.829 20 0 BCADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423289780 388074482 /nfs/dbraw/zinc/07/44/82/388074482.db2.gz YFBVYGNVPCIYTN-JTQLQIEISA-N 2 0 229.368 0.960 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000447514877 388075829 /nfs/dbraw/zinc/07/58/29/388075829.db2.gz ILSLYOSNLJWUTC-IJLUTSLNSA-N 2 0 241.379 0.829 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000084382857 388076667 /nfs/dbraw/zinc/07/66/67/388076667.db2.gz LYGFCWXZJOQWON-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423298434 388079870 /nfs/dbraw/zinc/07/98/70/388079870.db2.gz AAESWMDQMDQWGY-SKDRFNHKSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)C1CCOCC1 ZINC000447602346 388081712 /nfs/dbraw/zinc/08/17/12/388081712.db2.gz UJRWDAUGPJVBOE-GFCCVEGCSA-N 2 0 244.379 0.969 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)C[NH2+]C)C1 ZINC000086066552 388099445 /nfs/dbraw/zinc/09/94/45/388099445.db2.gz KAIIBRQMMZTUKS-WDEREUQCSA-N 2 0 227.352 0.300 20 0 BCADRP CC[N@H+](CCC(=O)OC)CC1CC[NH2+]CC1 ZINC000086703092 388106932 /nfs/dbraw/zinc/10/69/32/388106932.db2.gz JXKRIKNTSOZNOH-UHFFFAOYSA-N 2 0 228.336 0.871 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000086932336 388111133 /nfs/dbraw/zinc/11/11/33/388111133.db2.gz DUCLRAKRNXEVCF-GHMZBOCLSA-N 2 0 225.336 0.291 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCN(CCOC)C1 ZINC000423267083 388045593 /nfs/dbraw/zinc/04/55/93/388045593.db2.gz DUETVWZLYXVYGM-RYUDHWBXSA-N 2 0 229.368 0.152 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000449377378 388187425 /nfs/dbraw/zinc/18/74/25/388187425.db2.gz SOTITLROCJZLTA-WDEREUQCSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@@H](CNC(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000455450741 388160597 /nfs/dbraw/zinc/16/05/97/388160597.db2.gz XRNBAXUIHJBJBK-UWVGGRQHSA-N 2 0 230.356 0.186 20 0 BCADRP C[C@H](Cc1ccoc1)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000449241292 388161253 /nfs/dbraw/zinc/16/12/53/388161253.db2.gz AJLQGIBHWYYWCV-YPMHNXCESA-N 2 0 238.331 0.867 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[NH2+]C1CC1 ZINC000646196694 388162937 /nfs/dbraw/zinc/16/29/37/388162937.db2.gz REOIEXZVYRKJBA-IUCAKERBSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000646204813 388163281 /nfs/dbraw/zinc/16/32/81/388163281.db2.gz JODOKAATELKTKL-XWLWVQCSSA-N 2 0 242.367 0.681 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000646204811 388163693 /nfs/dbraw/zinc/16/36/93/388163693.db2.gz JODOKAATELKTKL-NAKRPEOUSA-N 2 0 242.367 0.681 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)CCC[NH3+] ZINC000646215842 388166763 /nfs/dbraw/zinc/16/67/63/388166763.db2.gz KIILQKUCAWMSMF-IUCAKERBSA-N 2 0 216.329 0.102 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC[NH+]1CCCC1 ZINC000449312391 388171831 /nfs/dbraw/zinc/17/18/31/388171831.db2.gz QMESNZMBJALICH-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000449326974 388173532 /nfs/dbraw/zinc/17/35/32/388173532.db2.gz ATSRGPJQTLQFRI-CMPLNLGQSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)CCC[NH2+]C ZINC000646011867 388124592 /nfs/dbraw/zinc/12/45/92/388124592.db2.gz ADWGKFVGNCSHMH-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449375236 388186343 /nfs/dbraw/zinc/18/63/43/388186343.db2.gz FRMCKFZBDJPDGR-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000449060519 388137210 /nfs/dbraw/zinc/13/72/10/388137210.db2.gz STORYDFXJCOTNU-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2[NH2+]CC2(C)C)CC[N@@H+]1C ZINC000646077538 388138013 /nfs/dbraw/zinc/13/80/13/388138013.db2.gz UASMMDYZHVVVST-OUAUKWLOSA-N 2 0 239.363 0.583 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449065095 388138132 /nfs/dbraw/zinc/13/81/32/388138132.db2.gz XPDGFRDXZROKAQ-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)CC[N@@H+]1C ZINC000646077537 388138222 /nfs/dbraw/zinc/13/82/22/388138222.db2.gz UASMMDYZHVVVST-MXWKQRLJSA-N 2 0 239.363 0.583 20 0 BCADRP [NH3+]CCCNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449065482 388138303 /nfs/dbraw/zinc/13/83/03/388138303.db2.gz ZKRRFZMEVNLAEG-CQSZACIVSA-N 2 0 247.342 0.383 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000449081017 388140253 /nfs/dbraw/zinc/14/02/53/388140253.db2.gz BATJFGJRKNMVRB-GMTAPVOTSA-N 2 0 225.336 0.372 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000449090280 388141279 /nfs/dbraw/zinc/14/12/79/388141279.db2.gz GIIVQGDANGADDG-UTUOFQBUSA-N 2 0 241.379 0.879 20 0 BCADRP CO[C@@H](C)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105759 388142989 /nfs/dbraw/zinc/14/29/89/388142989.db2.gz GVQKDSWKCXWIIC-LBPRGKRZSA-N 2 0 242.363 0.818 20 0 BCADRP CCCN(C(=O)[C@H](C)[NH2+]C1CC1)[C@@H]1CC[NH2+]C1 ZINC000449105720 388143044 /nfs/dbraw/zinc/14/30/44/388143044.db2.gz FFEVMAFBZGNBGM-CMPLNLGQSA-N 2 0 239.363 0.727 20 0 BCADRP CC[C@@H](O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104701 388143366 /nfs/dbraw/zinc/14/33/66/388143366.db2.gz UHZVEOMBAJXYFM-GFCCVEGCSA-N 2 0 242.363 0.554 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000646108532 388143854 /nfs/dbraw/zinc/14/38/54/388143854.db2.gz HHCCMRSGIIMPTQ-VHSXEESVSA-N 2 0 227.352 0.441 20 0 BCADRP COC(=O)COC[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000449106813 388144015 /nfs/dbraw/zinc/14/40/15/388144015.db2.gz JZWXDYDGGDPWSQ-GHMZBOCLSA-N 2 0 246.351 0.494 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000449111782 388144115 /nfs/dbraw/zinc/14/41/15/388144115.db2.gz NYRTUMWJYWDPSR-NEPJUHHUSA-N 2 0 241.379 0.880 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000449117462 388144437 /nfs/dbraw/zinc/14/44/37/388144437.db2.gz UPHDAANRDIVGGQ-OPRDCNLKSA-N 2 0 225.336 0.336 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC1(C[NH3+])CCCC1 ZINC000449112929 388144765 /nfs/dbraw/zinc/14/47/65/388144765.db2.gz DWMNAEQPJKFTRL-JTQLQIEISA-N 2 0 227.352 0.762 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000449118015 388145260 /nfs/dbraw/zinc/14/52/60/388145260.db2.gz RASHUYKABHLRRE-MNOVXSKESA-N 2 0 241.379 0.973 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000449119945 388145527 /nfs/dbraw/zinc/14/55/27/388145527.db2.gz BCXAIJQTZBUEOI-KKOKHZNYSA-N 2 0 239.363 0.428 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000449118679 388145603 /nfs/dbraw/zinc/14/56/03/388145603.db2.gz ZCIRDJVBDBJDNI-AXFHLTTASA-N 2 0 227.352 0.583 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449125748 388146110 /nfs/dbraw/zinc/14/61/10/388146110.db2.gz TZWOAVUBLKBWIM-SKDRFNHKSA-N 2 0 227.352 0.617 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000449127600 388146274 /nfs/dbraw/zinc/14/62/74/388146274.db2.gz WQSGEWLVZKMHAE-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449126108 388146357 /nfs/dbraw/zinc/14/63/57/388146357.db2.gz UMUIHDKMUGEEJK-WZRBSPASSA-N 2 0 241.379 0.722 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)[NH2+]C1CC1 ZINC000449145831 388148540 /nfs/dbraw/zinc/14/85/40/388148540.db2.gz MIOVLSGITQXQTN-GXSJLCMTSA-N 2 0 225.336 0.337 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000195232511 388149823 /nfs/dbraw/zinc/14/98/23/388149823.db2.gz WXMCMVZIPZGZTP-FZMZJTMJSA-N 2 0 249.358 0.832 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000449680984 388251504 /nfs/dbraw/zinc/25/15/04/388251504.db2.gz DECQNTACBFYJRK-VIFPVBQESA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H](CCCO)C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000449408312 388197505 /nfs/dbraw/zinc/19/75/05/388197505.db2.gz NKALJLWBXNVWFO-IJLUTSLNSA-N 2 0 214.353 0.935 20 0 BCADRP C[C@H]1CN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC000449484761 388216074 /nfs/dbraw/zinc/21/60/74/388216074.db2.gz NMQTXXKOVSISCG-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C1([NH3+])CCCCC1 ZINC000489462965 388216345 /nfs/dbraw/zinc/21/63/45/388216345.db2.gz GVULJJIYWMVEGR-JTQLQIEISA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000489494614 388218519 /nfs/dbraw/zinc/21/85/19/388218519.db2.gz VMYPYLRDGVJMSS-VXGBXAGGSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]([NH3+])C(C)C ZINC000489541927 388220402 /nfs/dbraw/zinc/22/04/02/388220402.db2.gz CDTSNXIOCGSFLA-GHMZBOCLSA-N 2 0 229.368 0.802 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000646320609 388221308 /nfs/dbraw/zinc/22/13/08/388221308.db2.gz JCBZRXBRAYCVTP-GHMZBOCLSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449529906 388225246 /nfs/dbraw/zinc/22/52/46/388225246.db2.gz ATIDGTHSHAOJSO-DDHJBXDOSA-N 2 0 239.363 0.842 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000449558602 388232284 /nfs/dbraw/zinc/23/22/84/388232284.db2.gz YLFDMJHWXVQCAW-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449572886 388235697 /nfs/dbraw/zinc/23/56/97/388235697.db2.gz OTIJGAFIPHJZRZ-IIEKFROSSA-N 2 0 237.347 0.228 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449582804 388238184 /nfs/dbraw/zinc/23/81/84/388238184.db2.gz ARMDPJZCVRIYIO-KZVJFYERSA-N 2 0 201.314 0.212 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449603189 388240363 /nfs/dbraw/zinc/24/03/63/388240363.db2.gz QMZYESQQQMYACY-BDAKNGLRSA-N 2 0 215.341 0.603 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000449603355 388240586 /nfs/dbraw/zinc/24/05/86/388240586.db2.gz VYKAOEMZTRRNFX-GHMZBOCLSA-N 2 0 221.304 0.540 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000449603357 388240972 /nfs/dbraw/zinc/24/09/72/388240972.db2.gz VYKAOEMZTRRNFX-MNOVXSKESA-N 2 0 221.304 0.540 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H]([NH3+])CC ZINC000449608776 388241474 /nfs/dbraw/zinc/24/14/74/388241474.db2.gz JZWRCISVLAJLCH-DTWKUNHWSA-N 2 0 201.314 0.228 20 0 BCADRP COCCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000164643195 388241969 /nfs/dbraw/zinc/24/19/69/388241969.db2.gz VRCWCNJNNQSDDA-MNOVXSKESA-N 2 0 200.326 0.940 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449610843 388242254 /nfs/dbraw/zinc/24/22/54/388242254.db2.gz SCBWNVKPLYNNNN-YUMQZZPRSA-N 2 0 237.294 0.459 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C(CC)(CC)C[NH3+] ZINC000449610987 388242750 /nfs/dbraw/zinc/24/27/50/388242750.db2.gz SZUXIZSDJNMICR-VIFPVBQESA-N 2 0 215.341 0.605 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N(C)C1CC([NH3+])C1 ZINC000449630510 388246143 /nfs/dbraw/zinc/24/61/43/388246143.db2.gz IGPDNFPTYIWNFM-RTBKNWGFSA-N 2 0 213.325 0.165 20 0 BCADRP CN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CC([NH3+])C1 ZINC000449632691 388246280 /nfs/dbraw/zinc/24/62/80/388246280.db2.gz NFOKJDXCMMIFJQ-IDWGSYCQSA-N 2 0 225.336 0.452 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449640438 388247872 /nfs/dbraw/zinc/24/78/72/388247872.db2.gz BFEPTCZBFJZUFS-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1CCN(C(=O)CCCC[NH3+])C[C@H]1C[NH3+] ZINC000518977408 256640329 /nfs/dbraw/zinc/64/03/29/256640329.db2.gz PDQFBJLAIQDHCS-GHMZBOCLSA-N 2 0 227.352 0.559 20 0 BCADRP C[NH+](C)C/C=C/C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000491636828 388307278 /nfs/dbraw/zinc/30/72/78/388307278.db2.gz HWEIWKYPJBKFAG-WAFBPQNNSA-N 2 0 239.363 0.657 20 0 BCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)/C=C\C[NH+](C)C ZINC000491845205 388324670 /nfs/dbraw/zinc/32/46/70/388324670.db2.gz JSPNEYNCADRAJC-FOQNGQEVSA-N 2 0 239.363 0.657 20 0 BCADRP C[NH+](C)C/C=C\C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000491861920 388325091 /nfs/dbraw/zinc/32/50/91/388325091.db2.gz BFBHAHUJERGRDS-XOIDGJRKSA-N 2 0 225.336 0.315 20 0 BCADRP C[C@@H]1C[N@H+](C)CCN1C(=O)/C=C/C[NH+](C)C ZINC000491869764 388325496 /nfs/dbraw/zinc/32/54/96/388325496.db2.gz NMXVTISRUGEUNA-MVIFTORASA-N 2 0 225.336 0.267 20 0 BCADRP CC[N@H+](C)CCNC(=O)/C=C/C[NH+](C)C ZINC000491868744 388325608 /nfs/dbraw/zinc/32/56/08/388325608.db2.gz MNQWTMWZPAQMCE-VOTSOKGWSA-N 2 0 213.325 0.172 20 0 BCADRP C[NH+](C)C/C=C\C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000491885185 388326192 /nfs/dbraw/zinc/32/61/92/388326192.db2.gz NRUZRYVIUKROFN-TXNVCOODSA-N 2 0 237.347 0.411 20 0 BCADRP C[NH+](C)C/C=C\C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000491885184 388326260 /nfs/dbraw/zinc/32/62/60/388326260.db2.gz NRUZRYVIUKROFN-RNZFLTOJSA-N 2 0 237.347 0.411 20 0 BCADRP CN(CC[NH+]1CCCC1)C(=O)/C=C\C[NH+](C)C ZINC000491910429 388327526 /nfs/dbraw/zinc/32/75/26/388327526.db2.gz YYWIGHXGSROOGJ-SREVYHEPSA-N 2 0 239.363 0.658 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336095 388261618 /nfs/dbraw/zinc/26/16/18/388261618.db2.gz IANJUNKCDHQPKC-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646336093 388261841 /nfs/dbraw/zinc/26/18/41/388261841.db2.gz IANJUNKCDHQPKC-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646335910 388261866 /nfs/dbraw/zinc/26/18/66/388261866.db2.gz BOAYZLVBGKNJKA-WHOHXGKFSA-N 2 0 237.347 0.195 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCC1 ZINC000646336338 388262174 /nfs/dbraw/zinc/26/21/74/388262174.db2.gz OQNDGNMOQSHNOT-WDEREUQCSA-N 2 0 237.347 0.468 20 0 BCADRP CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336299 388262182 /nfs/dbraw/zinc/26/21/82/388262182.db2.gz NANMKTCVGVIIQV-TUAOUCFPSA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CCC1 ZINC000646336336 388262442 /nfs/dbraw/zinc/26/24/42/388262442.db2.gz OQNDGNMOQSHNOT-MNOVXSKESA-N 2 0 237.347 0.468 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953483 388269336 /nfs/dbraw/zinc/26/93/36/388269336.db2.gz VUUINCBMAJPNDP-NEPJUHHUSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646338187 388270569 /nfs/dbraw/zinc/27/05/69/388270569.db2.gz DNLFOFHLCAADCX-KXNHARMFSA-N 2 0 237.347 0.052 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)/C=C/C[NH+](C)C ZINC000492004105 388331172 /nfs/dbraw/zinc/33/11/72/388331172.db2.gz SEUSCZRQNHVPPI-IDVQTMNDSA-N 2 0 241.379 0.951 20 0 BCADRP [NH3+]CC1(CC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000646338730 388272654 /nfs/dbraw/zinc/27/26/54/388272654.db2.gz UBDCHUBEHWWXIV-GHMZBOCLSA-N 2 0 237.347 0.326 20 0 BCADRP CN(C)c1ncc(C[NH2+][C@H]2CCC[C@@H]2O)n1C ZINC000323701678 388274054 /nfs/dbraw/zinc/27/40/54/388274054.db2.gz RABKTIRUGMFDSS-QWRGUYRKSA-N 2 0 238.335 0.489 20 0 BCADRP [NH3+]Cc1cc(C(=O)NC[C@@H]([NH3+])C2CC2)ccn1 ZINC000572999515 388404201 /nfs/dbraw/zinc/40/42/01/388404201.db2.gz DEIFNKIFTIKFAY-LLVKDONJSA-N 2 0 234.303 0.007 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000646369506 388347011 /nfs/dbraw/zinc/34/70/11/388347011.db2.gz NBFBJNGIFJNKNP-GMTAPVOTSA-N 2 0 237.347 0.195 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646385111 388348423 /nfs/dbraw/zinc/34/84/23/388348423.db2.gz XISMRJJOINDUHU-NEPJUHHUSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000646664083 388406986 /nfs/dbraw/zinc/40/69/86/388406986.db2.gz QBUVSHMJRGSKDN-SDDRHHMPSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CCC[NH3+] ZINC000646427829 388357104 /nfs/dbraw/zinc/35/71/04/388357104.db2.gz UGDLJWDXSKJCRV-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000234727892 388358669 /nfs/dbraw/zinc/35/86/69/388358669.db2.gz PGSNSXXNNVOSCZ-UPJWGTAASA-N 2 0 244.379 0.881 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000646484489 388366001 /nfs/dbraw/zinc/36/60/01/388366001.db2.gz QBHXXNOCJMNTEQ-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000519157912 256644934 /nfs/dbraw/zinc/64/49/34/256644934.db2.gz OJICEZIVRSMAQU-LBPRGKRZSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H](NC(=O)C[NH2+]CC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000572760108 388373247 /nfs/dbraw/zinc/37/32/47/388373247.db2.gz GMUCBBDJENFHJR-ZYHUDNBSSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000646523210 388374999 /nfs/dbraw/zinc/37/49/99/388374999.db2.gz OHXFDLHBVRMIOM-GFCCVEGCSA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CC[C@H](C)C1 ZINC000524720921 388377555 /nfs/dbraw/zinc/37/75/55/388377555.db2.gz MTWXWQAXAWNALT-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CC[NH2+]C1 ZINC000236587667 388380218 /nfs/dbraw/zinc/38/02/18/388380218.db2.gz PPSRTCJDBLZVAC-NXEZZACHSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000646555188 388381611 /nfs/dbraw/zinc/38/16/11/388381611.db2.gz YEBCRCOIFLQAJI-SNVBAGLBSA-N 2 0 239.363 0.714 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000236700253 388382637 /nfs/dbraw/zinc/38/26/37/388382637.db2.gz ZHTJUDNPMLIVDL-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(CC2(C[NH3+])CC2)C1 ZINC000572879711 388382663 /nfs/dbraw/zinc/38/26/63/388382663.db2.gz SWSNHQNGLDTCHI-QWRGUYRKSA-N 2 0 211.353 0.785 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000646664749 388407022 /nfs/dbraw/zinc/40/70/22/388407022.db2.gz YFWSYMKTVBYFMX-TWHWIZHFSA-N 2 0 237.347 0.372 20 0 BCADRP [NH3+]CC1(C(=O)N2CCC([NH3+])CC2)CCCC1 ZINC000646568048 388384144 /nfs/dbraw/zinc/38/41/44/388384144.db2.gz URFLBLHNKVNIFB-UHFFFAOYSA-N 2 0 225.336 0.455 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000236856326 388385083 /nfs/dbraw/zinc/38/50/83/388385083.db2.gz XRBOAJYJXUNWQZ-CMPLNLGQSA-N 2 0 227.352 0.620 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000236906599 388386237 /nfs/dbraw/zinc/38/62/37/388386237.db2.gz RUWMINDQTYSSCP-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000519829531 256661799 /nfs/dbraw/zinc/66/17/99/256661799.db2.gz ZCDMTSYIMUHWJA-GFCCVEGCSA-N 2 0 225.336 0.183 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000646578677 388387544 /nfs/dbraw/zinc/38/75/44/388387544.db2.gz ASVMFSVRWXFZDR-VIFPVBQESA-N 2 0 221.304 0.939 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)CC[NH2+]C(C)C)C1 ZINC000646578299 388387972 /nfs/dbraw/zinc/38/79/72/388387972.db2.gz XZJLIFWYSVIDJG-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)[C@H]2C[NH2+]CCO2)c1 ZINC000646578816 388388424 /nfs/dbraw/zinc/38/84/24/388388424.db2.gz GNKWOPXWNADSGY-LLVKDONJSA-N 2 0 235.287 0.072 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000646664746 388407043 /nfs/dbraw/zinc/40/70/43/388407043.db2.gz YFWSYMKTVBYFMX-FFJHZOIPSA-N 2 0 237.347 0.372 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000237130958 388389740 /nfs/dbraw/zinc/38/97/40/388389740.db2.gz GYVOUPHTWVUCOQ-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000237130413 388390115 /nfs/dbraw/zinc/39/01/15/388390115.db2.gz GYVOUPHTWVUCOQ-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000646590823 388391094 /nfs/dbraw/zinc/39/10/94/388391094.db2.gz JXYONFKZCBVUJK-GRYCIOLGSA-N 2 0 237.347 0.182 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC000237287904 388392435 /nfs/dbraw/zinc/39/24/35/388392435.db2.gz XOOXYIOBOXZRLR-SNVBAGLBSA-N 2 0 215.341 0.298 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237309914 388392556 /nfs/dbraw/zinc/39/25/56/388392556.db2.gz NAPIIUUIKPGBBN-PWSUYJOCSA-N 2 0 227.352 0.348 20 0 BCADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H](C)[NH3+] ZINC000646600430 388393389 /nfs/dbraw/zinc/39/33/89/388393389.db2.gz LYIOQPQVCBJRQQ-WPRPVWTQSA-N 2 0 237.303 0.158 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000646609130 388394293 /nfs/dbraw/zinc/39/42/93/388394293.db2.gz PYWDQVUTBLBXAT-ONGXEEELSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000646609129 388394455 /nfs/dbraw/zinc/39/44/55/388394455.db2.gz PYWDQVUTBLBXAT-MWLCHTKSSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H](CNC(=O)CC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000237537260 388395710 /nfs/dbraw/zinc/39/57/10/388395710.db2.gz SLVQHXDSVMZHBA-LBPRGKRZSA-N 2 0 249.358 0.972 20 0 BCADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000646634955 388398949 /nfs/dbraw/zinc/39/89/49/388398949.db2.gz OJICEZAKVYNKFJ-ZDUSSCGKSA-N 2 0 247.342 0.840 20 0 BCADRP [NH3+]CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000237985513 388400209 /nfs/dbraw/zinc/40/02/09/388400209.db2.gz ZQMRUCSQSOCIJT-NSHDSACASA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000646664040 388406854 /nfs/dbraw/zinc/40/68/54/388406854.db2.gz KGTVQHAQJCDOKB-IRCOFANPSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000646649647 388402115 /nfs/dbraw/zinc/40/21/15/388402115.db2.gz PIMNKIHNTQRKHW-SRVKXCTJSA-N 2 0 239.363 0.633 20 0 BCADRP CN(CC[NH+](C)C)C(=O)/C=C\C[NH+](C)C ZINC000492059127 388333326 /nfs/dbraw/zinc/33/33/26/388333326.db2.gz QZDTXAIPTFGEOE-SREVYHEPSA-N 2 0 213.325 0.124 20 0 BCADRP C[NH+](C)C/C=C\C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000492110589 388335432 /nfs/dbraw/zinc/33/54/32/388335432.db2.gz PIMWWJTVQRIWIR-VFFGBVLKSA-N 2 0 239.363 0.657 20 0 BCADRP C[NH+](C)C/C=C\C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000492110592 388335496 /nfs/dbraw/zinc/33/54/96/388335496.db2.gz PIMWWJTVQRIWIR-XYLWRLHESA-N 2 0 239.363 0.657 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000514603960 256681227 /nfs/dbraw/zinc/68/12/27/256681227.db2.gz BNMUUJXJSZGGMD-UMNHJUIQSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1CN(C(=O)/C=C\C[NH+](C)C)[C@@H](C)C[N@@H+]1C ZINC000492284499 388340050 /nfs/dbraw/zinc/34/00/50/388340050.db2.gz RAHSVDGSTJLTLQ-PBWNMSGQSA-N 2 0 239.363 0.655 20 0 BCADRP [NH3+][C@@H](C(=O)NCC[C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000646730888 388441295 /nfs/dbraw/zinc/44/12/95/388441295.db2.gz IHUBXXVCBLQMSD-CMPLNLGQSA-N 2 0 239.363 0.620 20 0 BCADRP Cn1nccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335447228 388450685 /nfs/dbraw/zinc/45/06/85/388450685.db2.gz ASCCFFSBBHKIQB-TXEJJXNPSA-N 2 0 234.347 0.852 20 0 BCADRP C[C@H](C(=O)NC[C@H](C)[NH3+])[NH+]1CCCCCC1 ZINC000194887556 388454636 /nfs/dbraw/zinc/45/46/36/388454636.db2.gz MEHFBEFVWYYYKP-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP CCOC(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397291226 388456968 /nfs/dbraw/zinc/45/69/68/388456968.db2.gz AGBMXYZGWDUJIP-MXWKQRLJSA-N 2 0 228.336 0.855 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COC)[C@H](C)C1 ZINC000309646015 388459984 /nfs/dbraw/zinc/45/99/84/388459984.db2.gz MFRHOGXEXLBVKN-IJLUTSLNSA-N 2 0 230.352 0.314 20 0 BCADRP C[C@H](O)CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336659942 388460590 /nfs/dbraw/zinc/46/05/90/388460590.db2.gz BRCROGVSYSKJCR-RYUDHWBXSA-N 2 0 212.337 0.785 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000309811210 388465938 /nfs/dbraw/zinc/46/59/38/388465938.db2.gz UEROUTJWKLFEEV-KXUCPTDWSA-N 2 0 213.325 0.500 20 0 BCADRP CC[C@H](C(=O)NCC[NH2+]C1CC1)[NH+](CC)CC ZINC000649270737 388481833 /nfs/dbraw/zinc/48/18/33/388481833.db2.gz LCMMQEWWBSZZRY-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000646664115 388407254 /nfs/dbraw/zinc/40/72/54/388407254.db2.gz XUBUWMLSWYJBCL-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000646667838 388408629 /nfs/dbraw/zinc/40/86/29/388408629.db2.gz JXYONFKZCBVUJK-SDDRHHMPSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000646688181 388416986 /nfs/dbraw/zinc/41/69/86/388416986.db2.gz SZOHPJBGGDUQOF-JTQLQIEISA-N 2 0 239.363 0.844 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C1([NH3+])CCC1 ZINC000646690380 388418110 /nfs/dbraw/zinc/41/81/10/388418110.db2.gz CFOLWOUVQKMMDR-UHFFFAOYSA-N 2 0 213.325 0.372 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000646696960 388419411 /nfs/dbraw/zinc/41/94/11/388419411.db2.gz DIIJORWHPYAESR-VXGBXAGGSA-N 2 0 247.342 0.801 20 0 BCADRP Cc1nc2n(n1)CCN(CC[C@H]1CCC[NH2+]C1)C2 ZINC000573123964 388421610 /nfs/dbraw/zinc/42/16/10/388421610.db2.gz RARHACZIAKUEET-GFCCVEGCSA-N 2 0 249.362 0.792 20 0 BCADRP C[C@@H]([NH3+])CCNC(=O)c1c[nH+]ccc1N ZINC000296599379 388425617 /nfs/dbraw/zinc/42/56/17/388425617.db2.gz YILZFVAHSGUEQO-SSDOTTSWSA-N 2 0 208.265 0.131 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000646713446 388426874 /nfs/dbraw/zinc/42/68/74/388426874.db2.gz LQNZOOKCBNHBAS-ZJUUUORDSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2CCNC2=O)C1 ZINC000573164747 388427365 /nfs/dbraw/zinc/42/73/65/388427365.db2.gz XBQXINRRESWEGQ-RYUDHWBXSA-N 2 0 239.363 0.396 20 0 BCADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC3CCC3)CCN2C1=O ZINC000573220606 388434128 /nfs/dbraw/zinc/43/41/28/388434128.db2.gz HACRXBOHSUZUSF-GHMZBOCLSA-N 2 0 223.320 0.030 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000573244965 388434951 /nfs/dbraw/zinc/43/49/51/388434951.db2.gz ARYGVWRYDLLVTK-GDPRMGEGSA-N 2 0 225.336 0.323 20 0 BCADRP C[NH2+]C[C@](C)(O)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000517159462 388539365 /nfs/dbraw/zinc/53/93/65/388539365.db2.gz ROBTUSQIKMGOIE-SRVKXCTJSA-N 2 0 212.337 0.689 20 0 BCADRP CC[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC000517139570 388539559 /nfs/dbraw/zinc/53/95/59/388539559.db2.gz IWKABBZWMHSEBV-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000261535282 388550507 /nfs/dbraw/zinc/55/05/07/388550507.db2.gz XUXYCUZWUVKJSZ-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000517230377 388543087 /nfs/dbraw/zinc/54/30/87/388543087.db2.gz NCGPRSACRQKXIP-ZYHUDNBSSA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000517234820 388543286 /nfs/dbraw/zinc/54/32/86/388543286.db2.gz UEYKREYRYOUBJD-DMDPSCGWSA-N 2 0 237.347 0.183 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000517235130 388544456 /nfs/dbraw/zinc/54/44/56/388544456.db2.gz GZOVZIGEFVZLDN-AAEUAGOBSA-N 2 0 249.358 0.800 20 0 BCADRP C[NH2+][C@H](C)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000517246426 388545822 /nfs/dbraw/zinc/54/58/22/388545822.db2.gz VUFJITSQAUBIQQ-OUAUKWLOSA-N 2 0 225.336 0.147 20 0 BCADRP C[NH2+][C@H](C)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000517246424 388546198 /nfs/dbraw/zinc/54/61/98/388546198.db2.gz VUFJITSQAUBIQQ-GMTAPVOTSA-N 2 0 225.336 0.147 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH3+] ZINC000649273239 388483251 /nfs/dbraw/zinc/48/32/51/388483251.db2.gz ZMNXGIVKIPVSDY-LLVKDONJSA-N 2 0 227.352 0.668 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000649272141 388483430 /nfs/dbraw/zinc/48/34/30/388483430.db2.gz KSGHVEYCBVAQTF-VHSXEESVSA-N 2 0 213.325 0.004 20 0 BCADRP C[C@@H]1CN(C(=O)CC2([NH3+])CCC2)CC[C@@H]1[NH3+] ZINC000646762961 388486947 /nfs/dbraw/zinc/48/69/47/388486947.db2.gz MNBJQZLDYMHCDR-ZJUUUORDSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000646769991 388493262 /nfs/dbraw/zinc/49/32/62/388493262.db2.gz PQQQCZKPCQJRFK-ZJUUUORDSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000646769961 388493492 /nfs/dbraw/zinc/49/34/92/388493492.db2.gz NPZXQJNSESOAOR-OUAUKWLOSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C1([NH3+])CC1)C1CCCC1 ZINC000516563069 256792444 /nfs/dbraw/zinc/79/24/44/256792444.db2.gz QYWQKJHATOOQDX-SECBINFHSA-N 2 0 211.309 0.111 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](OC)C1CC1 ZINC000356335032 388548959 /nfs/dbraw/zinc/54/89/59/388548959.db2.gz FPGJFWSRGLZHAH-NEPJUHHUSA-N 2 0 230.352 0.755 20 0 BCADRP CN(CCC[NH3+])C(=O)COC1CCC([NH3+])CC1 ZINC000646782990 388500942 /nfs/dbraw/zinc/50/09/42/388500942.db2.gz GNMAUAUAKLGYEL-UHFFFAOYSA-N 2 0 243.351 0.080 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000646782113 388501765 /nfs/dbraw/zinc/50/17/65/388501765.db2.gz GFKBLVNIHLDFCP-ZDUSSCGKSA-N 2 0 247.342 0.681 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649279139 388506156 /nfs/dbraw/zinc/50/61/56/388506156.db2.gz YZMFXMUQUQHAAN-GDNZZTSVSA-N 2 0 237.347 0.052 20 0 BCADRP C[C@H](O)[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000516965531 388517670 /nfs/dbraw/zinc/51/76/70/388517670.db2.gz ZSCSOZRHFKYKEE-RYUDHWBXSA-N 2 0 243.395 0.371 20 0 BCADRP CNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000346651466 388520728 /nfs/dbraw/zinc/52/07/28/388520728.db2.gz SNWOXYOXYNIUJT-GHMZBOCLSA-N 2 0 241.379 0.688 20 0 BCADRP C/C=C/C=C/C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000087613491 388520845 /nfs/dbraw/zinc/52/08/45/388520845.db2.gz DGJPTZDJALYJEB-XXZAKMSKSA-N 2 0 223.320 0.220 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C3([NH3+])CCC3)C[C@H]21 ZINC000516866310 388521132 /nfs/dbraw/zinc/52/11/32/388521132.db2.gz MYVGWXVOCDJXFC-HBNTYKKESA-N 2 0 237.347 0.454 20 0 BCADRP Cn1cncc1CC[N@@H+]1CC[C@@H](CO)C1 ZINC000347745883 388524838 /nfs/dbraw/zinc/52/48/38/388524838.db2.gz IXXVMYCXSLTJFA-SNVBAGLBSA-N 2 0 209.293 0.277 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649303759 388587399 /nfs/dbraw/zinc/58/73/99/388587399.db2.gz AOSKYXYHALKBJR-KKOKHZNYSA-N 2 0 239.363 0.583 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000082796478 388587693 /nfs/dbraw/zinc/58/76/93/388587693.db2.gz VJFPSVWJYJFQHI-CYBMUJFWSA-N 2 0 247.342 0.551 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649310973 388596181 /nfs/dbraw/zinc/59/61/81/388596181.db2.gz RJRBPTJTUCUWIA-KKOKHZNYSA-N 2 0 237.347 0.195 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000649312797 388600763 /nfs/dbraw/zinc/60/07/63/388600763.db2.gz WXMVCKHTZHCXFS-PHIMTYICSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC1CC[NH2+]CC1 ZINC000517563109 388553692 /nfs/dbraw/zinc/55/36/92/388553692.db2.gz IBGHSEVGKOVYRA-VIFPVBQESA-N 2 0 213.325 0.243 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000521041789 388560725 /nfs/dbraw/zinc/56/07/25/388560725.db2.gz ZKGOJWLIGULDMW-FXPVBKGRSA-N 2 0 225.336 0.384 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649301618 388584531 /nfs/dbraw/zinc/58/45/31/388584531.db2.gz HBMMTNBLIVUALA-KVSVUVNWSA-N 2 0 249.358 0.480 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C1CC1 ZINC000649302820 388585597 /nfs/dbraw/zinc/58/55/97/388585597.db2.gz SSLHTKPYMYDDGS-WYUUTHIRSA-N 2 0 237.347 0.193 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCNC(C)=O)[C@@H](C)C1 ZINC000248045672 388673231 /nfs/dbraw/zinc/67/32/31/388673231.db2.gz UYHGTOUDVJERSL-WCQYABFASA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NCC(=O)NC(C)(C)C ZINC000125786635 388676437 /nfs/dbraw/zinc/67/64/37/388676437.db2.gz PFBHHZUHYZSKLO-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646856979 388626234 /nfs/dbraw/zinc/62/62/34/388626234.db2.gz UROTXZJKQYRCSC-NHCYSSNCSA-N 2 0 243.351 0.079 20 0 BCADRP COc1ccc(CC[NH2+]C2CC[NH2+]CC2)cn1 ZINC000530222502 388633094 /nfs/dbraw/zinc/63/30/94/388633094.db2.gz QXPSLWUOWBFKRS-UHFFFAOYSA-N 2 0 235.331 0.974 20 0 BCADRP C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)C1C[NH2+]C1 ZINC000530224353 388633907 /nfs/dbraw/zinc/63/39/07/388633907.db2.gz LPYFWEXHHFPABL-CUAHWVMCSA-N 2 0 212.337 0.996 20 0 BCADRP CC1([NH+]2CCOCC2)CCN(CC[NH3+])CC1 ZINC000530231247 388636750 /nfs/dbraw/zinc/63/67/50/388636750.db2.gz HDNSKIFKZICFKR-UHFFFAOYSA-N 2 0 227.352 0.132 20 0 BCADRP CCOC[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000530232435 388637041 /nfs/dbraw/zinc/63/70/41/388637041.db2.gz PCVDVVYVKVFQKK-CHWSQXEVSA-N 2 0 242.363 0.723 20 0 BCADRP COCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241896 388637685 /nfs/dbraw/zinc/63/76/85/388637685.db2.gz RONYSWZYJSHVLK-CYBMUJFWSA-N 2 0 242.363 0.723 20 0 BCADRP CCCNC(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222562578 388640839 /nfs/dbraw/zinc/64/08/39/388640839.db2.gz MKWXLKUBUAGUDO-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[NH2+]CC1 ZINC000250887885 388641334 /nfs/dbraw/zinc/64/13/34/388641334.db2.gz WUYBCLRWGWYGFI-TUAOUCFPSA-N 2 0 237.347 0.339 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000037643463 388645622 /nfs/dbraw/zinc/64/56/22/388645622.db2.gz XNDBNJDIBYVZHK-WOPDTQHZSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H](C)[NH2+]1 ZINC000620897926 388652518 /nfs/dbraw/zinc/65/25/18/388652518.db2.gz GUHBFPYCHIFDKM-SDDRHHMPSA-N 2 0 239.363 0.537 20 0 BCADRP COC[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000250810889 388740720 /nfs/dbraw/zinc/74/07/20/388740720.db2.gz ULDUAJMHCCCXMW-VXGBXAGGSA-N 2 0 212.337 0.954 20 0 BCADRP C[N@@H+](Cc1ccnc2ccccc12)C[C@@H](O)C[NH3+] ZINC000310825487 388743741 /nfs/dbraw/zinc/74/37/41/388743741.db2.gz KPDQZVPYRAYPPF-LBPRGKRZSA-N 2 0 245.326 0.986 20 0 BCADRP CC[N@H+](C)CCNC(=O)NCCn1ccnc1 ZINC000194834716 388744653 /nfs/dbraw/zinc/74/46/53/388744653.db2.gz DAHISTOQNYAXKI-UHFFFAOYSA-N 2 0 239.323 0.134 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)CC[N@@H+]1C ZINC000128299422 388745003 /nfs/dbraw/zinc/74/50/03/388745003.db2.gz HHRVXZNVTQOLSG-PWSUYJOCSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000248846420 388694347 /nfs/dbraw/zinc/69/43/47/388694347.db2.gz HZYJGZNELAIQQR-DCAQKATOSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000522185177 388716819 /nfs/dbraw/zinc/71/68/19/388716819.db2.gz BVWCCXCPSMFPJZ-MNOVXSKESA-N 2 0 227.352 0.395 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCO ZINC000229604711 388796483 /nfs/dbraw/zinc/79/64/83/388796483.db2.gz MCSXLZAGVWFVQI-QWRGUYRKSA-N 2 0 200.326 0.689 20 0 BCADRP CC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000229963143 388806344 /nfs/dbraw/zinc/80/63/44/388806344.db2.gz PMLPREZNXTZJHF-OUAUKWLOSA-N 2 0 200.326 0.864 20 0 BCADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000229973456 388808647 /nfs/dbraw/zinc/80/86/47/388808647.db2.gz VGRUQWMWBUBAKY-GMTAPVOTSA-N 2 0 200.326 0.720 20 0 BCADRP C[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+](C)C)C1 ZINC000553256732 388758916 /nfs/dbraw/zinc/75/89/16/388758916.db2.gz LDZHIJXIYRJTPB-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000128589212 388772955 /nfs/dbraw/zinc/77/29/55/388772955.db2.gz PVGWRSXMQZQUAE-GHMZBOCLSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000648743821 388781800 /nfs/dbraw/zinc/78/18/00/388781800.db2.gz VYCXPRXRFBCPND-IJLUTSLNSA-N 2 0 239.363 0.395 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000523663169 388850460 /nfs/dbraw/zinc/85/04/60/388850460.db2.gz RDXVEEMSLZWVKH-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]Cc1cccc(NC(=O)[C@H](C)C[NH3+])c1 ZINC000564650768 388882109 /nfs/dbraw/zinc/88/21/09/388882109.db2.gz BAIDQYOAHODDNL-SECBINFHSA-N 2 0 221.304 0.939 20 0 BCADRP C[C@H]([NH2+]CCOCC[NH3+])[C@@H]1CCCOC1 ZINC000564988432 388903041 /nfs/dbraw/zinc/90/30/41/388903041.db2.gz HAUQTJKITZVHLE-WDEREUQCSA-N 2 0 216.325 0.366 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000564838178 388892811 /nfs/dbraw/zinc/89/28/11/388892811.db2.gz IHEPHEVJWPVGEH-MXWKQRLJSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000564838444 388893540 /nfs/dbraw/zinc/89/35/40/388893540.db2.gz MBVMQFGSXQHNSC-NXEZZACHSA-N 2 0 227.352 0.346 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[NH2+]C(C)(C)C ZINC000564929235 388896754 /nfs/dbraw/zinc/89/67/54/388896754.db2.gz KWCKWOYRUPYPEZ-RKDXNWHRSA-N 2 0 215.341 0.474 20 0 BCADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000564933013 388898377 /nfs/dbraw/zinc/89/83/77/388898377.db2.gz HYDRQBJIZXJNDT-KZVDOYCCSA-N 2 0 249.358 0.339 20 0 BCADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC000564941273 388899524 /nfs/dbraw/zinc/89/95/24/388899524.db2.gz LRIZZVBIEOEKFB-NSHDSACASA-N 2 0 225.336 0.149 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]([NH3+])CC ZINC000564940914 388899931 /nfs/dbraw/zinc/89/99/31/388899931.db2.gz UZAMCONVDOIEKQ-WDEREUQCSA-N 2 0 229.368 0.960 20 0 BCADRP C[NH2+]CCCC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000564953634 388901391 /nfs/dbraw/zinc/90/13/91/388901391.db2.gz CHPBTWMLTAOCGY-NSHDSACASA-N 2 0 227.352 0.634 20 0 BCADRP C[C@H]([NH3+])C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000564449632 388875563 /nfs/dbraw/zinc/87/55/63/388875563.db2.gz GYVUXRWIWUVIBV-JTQLQIEISA-N 2 0 236.319 0.025 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000564567145 388879198 /nfs/dbraw/zinc/87/91/98/388879198.db2.gz LQUPHQPCZVVPIZ-YWVKMMECSA-N 2 0 225.336 0.241 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000564992461 388906933 /nfs/dbraw/zinc/90/69/33/388906933.db2.gz LYXCZQOKCDDFIN-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000564995444 388906990 /nfs/dbraw/zinc/90/69/90/388906990.db2.gz UNFOEYMJVSVRBJ-NTZNESFSSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1(C[NH3+])CCCC1 ZINC000565003748 388907718 /nfs/dbraw/zinc/90/77/18/388907718.db2.gz ZSVPSINSOGYCAX-NXEZZACHSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000565302518 388935913 /nfs/dbraw/zinc/93/59/13/388935913.db2.gz KCWZGNAZNGLOBD-UWVGGRQHSA-N 2 0 225.336 0.243 20 0 BCADRP CC(C)NC(=O)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000163126035 388920669 /nfs/dbraw/zinc/92/06/69/388920669.db2.gz LFUYLIJVKBITGJ-WDEREUQCSA-N 2 0 227.352 0.761 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000565212841 388927216 /nfs/dbraw/zinc/92/72/16/388927216.db2.gz JMAOTYHMUCUKDL-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CC2(C1)CCOCC2 ZINC000565224677 388928048 /nfs/dbraw/zinc/92/80/48/388928048.db2.gz MJYLHVRZJZAGHS-GFCCVEGCSA-N 2 0 242.363 0.411 20 0 BCADRP [NH3+]CCC[NH2+][C@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000565234440 388929379 /nfs/dbraw/zinc/92/93/79/388929379.db2.gz UCTURGFBKZLFGA-RYUDHWBXSA-N 2 0 239.363 0.858 20 0 BCADRP CN(CCC[NH3+])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000565249153 388932566 /nfs/dbraw/zinc/93/25/66/388932566.db2.gz DJDZUBQSOVBVKE-NSHDSACASA-N 2 0 242.367 0.366 20 0 BCADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000565658738 388960871 /nfs/dbraw/zinc/96/08/71/388960871.db2.gz QSIDNHFVPLMJLV-DGCLKSJQSA-N 3 0 225.380 0.964 20 0 BCADRP C[C@H]1CCN(C(=O)C[NH2+]C2CC2)C[C@@H]1C[NH3+] ZINC000565410930 388941371 /nfs/dbraw/zinc/94/13/71/388941371.db2.gz BOEOQIMTZAFCIO-UWVGGRQHSA-N 2 0 225.336 0.182 20 0 BCADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COCC)C1 ZINC000565416615 388943020 /nfs/dbraw/zinc/94/30/20/388943020.db2.gz FKLPHISZRFHDKZ-STQMWFEESA-N 2 0 244.379 0.705 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000565477415 388946953 /nfs/dbraw/zinc/94/69/53/388946953.db2.gz FIYSOIYFVVDKHB-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000565477412 388947650 /nfs/dbraw/zinc/94/76/50/388947650.db2.gz FIYSOIYFVVDKHB-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC[NH2+]C(C)(C)C ZINC000565831664 388972797 /nfs/dbraw/zinc/97/27/97/388972797.db2.gz BBRWZVOVJZNCOT-VIFPVBQESA-N 2 0 215.341 0.346 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000565948887 388980541 /nfs/dbraw/zinc/98/05/41/388980541.db2.gz LIHSLLSEABUAMO-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000565833908 388971415 /nfs/dbraw/zinc/97/14/15/388971415.db2.gz UHZZJUCPUNADNK-UPJWGTAASA-N 2 0 223.364 0.670 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@@](C)(O)CCOC)CC1 ZINC000223667144 535473426 /nfs/dbraw/zinc/47/34/26/535473426.db2.gz CGUWSZASPSIZGX-ZDUSSCGKSA-N 2 0 244.379 0.848 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000347176738 533375821 /nfs/dbraw/zinc/37/58/21/533375821.db2.gz QYPKCQQGKUWFKO-DGCLKSJQSA-N 2 0 223.364 0.812 20 0 BCADRP C([C@H]1CCOC1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261532057 533377085 /nfs/dbraw/zinc/37/70/85/533377085.db2.gz IYRAEGPLEMPERM-IJLUTSLNSA-N 2 0 210.321 0.707 20 0 BCADRP Cc1cc(N2CC[NH+](CCCO)CC2)cc[nH+]1 ZINC000274342352 132202884 /nfs/dbraw/zinc/20/28/84/132202884.db2.gz IPOFMKYAQCDMIQ-UHFFFAOYSA-N 2 0 235.331 0.894 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000345721789 133787393 /nfs/dbraw/zinc/78/73/93/133787393.db2.gz VXCZDABXUOOTBN-CKYFFXLPSA-N 2 0 227.352 0.605 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000345787548 133789968 /nfs/dbraw/zinc/78/99/68/133789968.db2.gz ITLGSKLZGVDMEB-DMDPSCGWSA-N 2 0 241.379 0.866 20 0 BCADRP [NH3+]CC1(CC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000335425514 133842464 /nfs/dbraw/zinc/84/24/64/133842464.db2.gz YPSLUTFDCSABCX-GHMZBOCLSA-N 2 0 237.347 0.326 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000335430622 133844231 /nfs/dbraw/zinc/84/42/31/133844231.db2.gz SKFAHXYKUKJJMS-CABZTGNLSA-N 2 0 233.315 0.418 20 0 BCADRP [NH3+]CCC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335462569 133853780 /nfs/dbraw/zinc/85/37/80/133853780.db2.gz QBXCSGXNIKYEBO-JTQLQIEISA-N 2 0 219.288 0.252 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000335477415 133880065 /nfs/dbraw/zinc/88/00/65/133880065.db2.gz FZEXXXWBOKJKIG-QWRGUYRKSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000349959297 133927462 /nfs/dbraw/zinc/92/74/62/133927462.db2.gz INCAJVVWKAUPPL-GWCFXTLKSA-N 2 0 247.342 0.554 20 0 BCADRP C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CCn1ccnc1 ZINC000335975395 134031009 /nfs/dbraw/zinc/03/10/09/134031009.db2.gz XILOPNYZIYBOSK-NWDGAFQWSA-N 2 0 222.336 0.908 20 0 BCADRP CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000336040982 134061800 /nfs/dbraw/zinc/06/18/00/134061800.db2.gz OTVGCBVTDCOQQN-OLZOCXBDSA-N 2 0 225.380 0.964 20 0 BCADRP CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000336040984 134062075 /nfs/dbraw/zinc/06/20/75/134062075.db2.gz OTVGCBVTDCOQQN-STQMWFEESA-N 2 0 225.380 0.964 20 0 BCADRP CC[C@H](C(=O)N1CC[N@H+](C)CC[C@@H]1C)[NH+](C)C ZINC000336084040 134076231 /nfs/dbraw/zinc/07/62/31/134076231.db2.gz VFEFSSXGSFJOIP-NWDGAFQWSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)c2coc(C[NH3+])c2)[C@H]1C ZINC000336156601 134106412 /nfs/dbraw/zinc/10/64/12/134106412.db2.gz JOLRRDKUKARMEZ-BDAKNGLRSA-N 2 0 237.303 0.561 20 0 BCADRP [NH3+]CC1(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000336176212 134116760 /nfs/dbraw/zinc/11/67/60/134116760.db2.gz MWMKWFOAMPDJAC-QWRGUYRKSA-N 2 0 239.363 0.892 20 0 BCADRP Cc1ccc(C[NH2+][C@@H]2CN(C)C[C@H]2C)c(=O)n1C ZINC000336215206 134136184 /nfs/dbraw/zinc/13/61/84/134136184.db2.gz GCDVVVNERSQFKR-ZWNOBZJWSA-N 2 0 249.358 0.733 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C2([NH3+])CCC2)C1 ZINC000336219400 134138248 /nfs/dbraw/zinc/13/82/48/134138248.db2.gz NQKONGSKPOEBLJ-QWRGUYRKSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000167776253 134154148 /nfs/dbraw/zinc/15/41/48/134154148.db2.gz BCEKZYUZCSYOOZ-RYUDHWBXSA-N 2 0 239.363 0.811 20 0 BCADRP CCn1cncc1CNCC[N@H+](C)CC ZINC000085183943 134225109 /nfs/dbraw/zinc/22/51/09/134225109.db2.gz JSSMHXSCUDQUBR-UHFFFAOYSA-N 2 0 210.325 0.944 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000168557823 134226390 /nfs/dbraw/zinc/22/63/90/134226390.db2.gz PHDPTLVYRZWAPU-VHSXEESVSA-N 2 0 214.309 0.609 20 0 BCADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000178249570 134305281 /nfs/dbraw/zinc/30/52/81/134305281.db2.gz NSGPONINMBOALO-JOYOIKCWSA-N 2 0 249.314 0.633 20 0 BCADRP COCCCOCC[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000220392593 134306303 /nfs/dbraw/zinc/30/63/03/134306303.db2.gz WEKCQDJEPPBUAI-ZDUSSCGKSA-N 2 0 244.379 0.971 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000178519419 134308041 /nfs/dbraw/zinc/30/80/41/134308041.db2.gz KEIQGUSADSBPKE-SNVBAGLBSA-N 2 0 213.325 0.134 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000178408630 134309933 /nfs/dbraw/zinc/30/99/33/134309933.db2.gz BFNGDJMMEZNFHK-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000178407075 134310202 /nfs/dbraw/zinc/31/02/02/134310202.db2.gz ZLWKPHYMMPWRAF-MWLCHTKSSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000178406969 134310264 /nfs/dbraw/zinc/31/02/64/134310264.db2.gz MUCAYRYJAHVLEL-ZYHUDNBSSA-N 2 0 239.363 0.714 20 0 BCADRP O=C(CC1CC[NH2+]CC1)NC[C@@H]1CCC[NH2+]1 ZINC000178757302 134310777 /nfs/dbraw/zinc/31/07/77/134310777.db2.gz PNJIPLLCQOTWTM-NSHDSACASA-N 2 0 225.336 0.244 20 0 BCADRP CCCN(C(=O)[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000178933878 134313633 /nfs/dbraw/zinc/31/36/33/134313633.db2.gz WYQCWNNNWZCLTL-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220947457 134315389 /nfs/dbraw/zinc/31/53/89/134315389.db2.gz ARZUJHBUGDKXMT-RWMBFGLXSA-N 2 0 242.363 0.410 20 0 BCADRP C[C@]1(C(=O)N2CC[C@@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000180896449 134331924 /nfs/dbraw/zinc/33/19/24/134331924.db2.gz CYJDREJGNSSFQP-CMPLNLGQSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@]1(C(=O)N2CC[C@H]([NH3+])C2)CCCC[NH2+]1 ZINC000180896310 134331979 /nfs/dbraw/zinc/33/19/79/134331979.db2.gz XCRVMXMXHQIIRN-GXSJLCMTSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCO1 ZINC000223041365 134336273 /nfs/dbraw/zinc/33/62/73/134336273.db2.gz CXVXBYDENWUSDU-FRRDWIJNSA-N 2 0 242.363 0.600 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000182337582 134344057 /nfs/dbraw/zinc/34/40/57/134344057.db2.gz CCGDZFOOOKSKRW-STQMWFEESA-N 2 0 242.363 0.411 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000226394010 134365102 /nfs/dbraw/zinc/36/51/02/134365102.db2.gz JWGDVBQMOXBLPV-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C[C@H](C)[NH3+] ZINC000226407739 134365486 /nfs/dbraw/zinc/36/54/86/134365486.db2.gz JFKNWVSGTYPDBD-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP CO[C@H](C[NH3+])C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000227374685 134379026 /nfs/dbraw/zinc/37/90/26/134379026.db2.gz RJISTIIZCYCJKA-GHMZBOCLSA-N 2 0 245.367 0.053 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCOCCO ZINC000227500889 134382065 /nfs/dbraw/zinc/38/20/65/134382065.db2.gz YFBTWINERVPSMY-AGIUHOORSA-N 2 0 244.379 0.704 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000227458335 134384425 /nfs/dbraw/zinc/38/44/25/134384425.db2.gz AFZNZXOUAQGLLL-UTUOFQBUSA-N 2 0 241.379 0.831 20 0 BCADRP CCC[C@](C)(O)C[NH2+][C@@H](CCC[NH3+])COC ZINC000230685132 134521439 /nfs/dbraw/zinc/52/14/39/134521439.db2.gz JKMOYSSVOUIIPH-RYUDHWBXSA-N 2 0 232.368 0.881 20 0 BCADRP CCC[C@](C)(O)C[NH2+][C@H](CCC[NH3+])COC ZINC000230685139 134521766 /nfs/dbraw/zinc/52/17/66/134521766.db2.gz JKMOYSSVOUIIPH-NEPJUHHUSA-N 2 0 232.368 0.881 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H](C)[NH3+] ZINC000230711033 134533919 /nfs/dbraw/zinc/53/39/19/134533919.db2.gz NNNBJIHRVMTENH-VIFPVBQESA-N 2 0 201.314 0.134 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C[C@H](C[NH3+])OC ZINC000232126460 134549324 /nfs/dbraw/zinc/54/93/24/134549324.db2.gz MQIQATXLSOBULW-LLVKDONJSA-N 2 0 245.367 0.150 20 0 BCADRP C[C@@]1(C(=O)NC[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000129901244 134614874 /nfs/dbraw/zinc/61/48/74/134614874.db2.gz GCUIYVILHFUHFK-CMPLNLGQSA-N 2 0 225.336 0.102 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000154507732 134671224 /nfs/dbraw/zinc/67/12/24/134671224.db2.gz ZDZAUHMMQBHBTI-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@]1(C(=O)NCC[NH2+]C2CC2)CCCC[NH2+]1 ZINC000237757556 134846558 /nfs/dbraw/zinc/84/65/58/134846558.db2.gz PVBKFKRITISBQV-GFCCVEGCSA-N 2 0 225.336 0.387 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH2+]3)C[C@@H]12 ZINC000248654409 135018525 /nfs/dbraw/zinc/01/85/25/135018525.db2.gz VVXPQZYXCZVLPN-WRWGMCAJSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+]CCCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000250863826 135060454 /nfs/dbraw/zinc/06/04/54/135060454.db2.gz QWEZVVVHHNEXEP-WDEREUQCSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@H](CO)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251072335 135062029 /nfs/dbraw/zinc/06/20/29/135062029.db2.gz FSORNWBJNQZQAA-SRVKXCTJSA-N 2 0 212.337 0.831 20 0 BCADRP COC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000251094509 135064464 /nfs/dbraw/zinc/06/44/64/135064464.db2.gz KZNHLONFFBSLGS-OUAUKWLOSA-N 2 0 200.326 0.986 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251166856 135064922 /nfs/dbraw/zinc/06/49/22/135064922.db2.gz DFCDKGJZOZPAJV-GRYCIOLGSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[NH3+] ZINC000251855520 135079354 /nfs/dbraw/zinc/07/93/54/135079354.db2.gz RXUIICOHDKVPIY-ZJUUUORDSA-N 2 0 211.309 0.030 20 0 BCADRP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[NH3+] ZINC000251855519 135079390 /nfs/dbraw/zinc/07/93/90/135079390.db2.gz RXUIICOHDKVPIY-UWVGGRQHSA-N 2 0 211.309 0.030 20 0 BCADRP COC1CC[NH+](CCOCC[NH3+])CC1 ZINC000086435388 135084565 /nfs/dbraw/zinc/08/45/65/135084565.db2.gz ZHWYPYYLOZPZSS-UHFFFAOYSA-N 2 0 202.298 0.073 20 0 BCADRP C[C@@H]1C[N@H+](CCOCC[NH3+])[C@H](C)CO1 ZINC000086435396 135084767 /nfs/dbraw/zinc/08/47/67/135084767.db2.gz XBWWJGXWBZTPHJ-NXEZZACHSA-N 2 0 202.298 0.071 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252177694 135085488 /nfs/dbraw/zinc/08/54/88/135085488.db2.gz SIHOOBDCXLALAL-AEJSXWLSSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCC(=O)NC1 ZINC000252447640 135089373 /nfs/dbraw/zinc/08/93/73/135089373.db2.gz NCIBPKFXBZASDC-WYUUTHIRSA-N 2 0 239.363 0.583 20 0 BCADRP C[N@H+](C[C@H]1CCOC1)CC(C)(C)C[NH3+] ZINC000086637604 135091452 /nfs/dbraw/zinc/09/14/52/135091452.db2.gz LZEZANKEDGITEL-SNVBAGLBSA-N 2 0 200.326 0.940 20 0 BCADRP C[C@@H]1C[N@H+](CCn2cccn2)CC[C@@H]1[NH3+] ZINC000086886084 135100361 /nfs/dbraw/zinc/10/03/61/135100361.db2.gz HYGBVRCOYQCZPR-MNOVXSKESA-N 2 0 208.309 0.552 20 0 BCADRP C[NH+]1CCC(C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000257709706 135100791 /nfs/dbraw/zinc/10/07/91/135100791.db2.gz QKIWOISDTKVDIK-NSHDSACASA-N 2 0 225.336 0.278 20 0 BCADRP C[C@H](CN[C@@H]1CC[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000252714824 135101551 /nfs/dbraw/zinc/10/15/51/135101551.db2.gz TUTPJNIVOOPGBE-IJLUTSLNSA-N 2 0 213.369 0.866 20 0 BCADRP C[N@H+]1C[C@H]2CN(C[C@]3(C)CC[NH2+]C3)C[C@H]2C1 ZINC000261772781 135110864 /nfs/dbraw/zinc/11/08/64/135110864.db2.gz MUJLZBHHEFWKMM-FRRDWIJNSA-N 2 0 223.364 0.479 20 0 BCADRP O[C@@H]1CC[C@@H]2C[N@H+](CCn3ccnc3)C[C@H]12 ZINC000252841123 135112862 /nfs/dbraw/zinc/11/28/62/135112862.db2.gz AJVJCGCVTHIMMM-GRYCIOLGSA-N 2 0 221.304 0.586 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H](C)[NH+](C)C ZINC000252882730 135115281 /nfs/dbraw/zinc/11/52/81/135115281.db2.gz ZRTNETCKATYCIT-CIUDSAMLSA-N 2 0 201.314 0.036 20 0 BCADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000252961119 135117327 /nfs/dbraw/zinc/11/73/27/135117327.db2.gz NYWPMZZRILMBFW-AGIUHOORSA-N 2 0 243.395 0.683 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000262394251 135117713 /nfs/dbraw/zinc/11/77/13/135117713.db2.gz PZJBEEPGFLBSOF-PWSUYJOCSA-N 2 0 227.352 0.633 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000262497980 135118927 /nfs/dbraw/zinc/11/89/27/135118927.db2.gz XDJGSZDCKNYHBO-YPMHNXCESA-N 2 0 249.358 0.671 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000262585308 135119758 /nfs/dbraw/zinc/11/97/58/135119758.db2.gz UNAUWSQHETZEQT-NEPJUHHUSA-N 2 0 241.379 0.641 20 0 BCADRP C[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000253192684 135123772 /nfs/dbraw/zinc/12/37/72/135123772.db2.gz NNJDPDCFIGBVHE-GRYCIOLGSA-N 2 0 212.337 0.940 20 0 BCADRP C[C@@H]1CC[N@H+](C[C@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000253192686 135123851 /nfs/dbraw/zinc/12/38/51/135123851.db2.gz NNJDPDCFIGBVHE-UTUOFQBUSA-N 2 0 212.337 0.940 20 0 BCADRP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2CC[NH3+])C[C@H](C)O1 ZINC000263086732 135124391 /nfs/dbraw/zinc/12/43/91/135124391.db2.gz XZOBSYCBVPBJNT-XQQFMLRXSA-N 2 0 241.379 0.519 20 0 BCADRP COc1ccc(CC[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000259170826 135137681 /nfs/dbraw/zinc/13/76/81/135137681.db2.gz VUJRGIAWKFUUJK-LBPRGKRZSA-N 2 0 238.331 0.489 20 0 BCADRP O=C([C@H]1CC[NH2+]C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257669909 135138110 /nfs/dbraw/zinc/13/81/10/135138110.db2.gz IFEAKTQUKCZPOU-WCQYABFASA-N 2 0 237.347 0.198 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000257700125 135140096 /nfs/dbraw/zinc/14/00/96/135140096.db2.gz NYMWPVVPDALXSL-GARJFASQSA-N 2 0 225.336 0.230 20 0 BCADRP O=C([C@@H]1CC[NH2+]C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257725677 135141157 /nfs/dbraw/zinc/14/11/57/135141157.db2.gz WJPDTHZPIKVZFH-DGCLKSJQSA-N 2 0 237.347 0.198 20 0 BCADRP C[C@H]1C(=O)NCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000257784902 135141963 /nfs/dbraw/zinc/14/19/63/135141963.db2.gz LHIIHNZMRSXOFE-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP COC(=O)[C@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000260219629 135147751 /nfs/dbraw/zinc/14/77/51/135147751.db2.gz VZGYLIOQWPEORO-RYUDHWBXSA-N 2 0 240.347 0.966 20 0 BCADRP COC(=O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000260382368 135148766 /nfs/dbraw/zinc/14/87/66/135148766.db2.gz OBRZBDQURZGDTN-LLVKDONJSA-N 2 0 228.336 0.966 20 0 BCADRP Cc1n[nH]cc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261545706 135150422 /nfs/dbraw/zinc/15/04/22/135150422.db2.gz KERXZRKXILKGAW-SCZZXKLOSA-N 2 0 208.309 0.887 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])CC(C)C ZINC000261530626 135157859 /nfs/dbraw/zinc/15/78/59/135157859.db2.gz CVNYTZOBEZKMQO-IUCAKERBSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H](CO)O1 ZINC000261533703 135166168 /nfs/dbraw/zinc/16/61/68/135166168.db2.gz KOTFVZWGFHQFIP-CMPLNLGQSA-N 2 0 228.336 0.068 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000353168496 135166984 /nfs/dbraw/zinc/16/69/84/135166984.db2.gz JYQADJKLNPGRAD-AXFHLTTASA-N 2 0 225.336 0.243 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000261536699 135172314 /nfs/dbraw/zinc/17/23/14/135172314.db2.gz SNPIYIJWDRLIAG-SNVBAGLBSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000261536828 135173169 /nfs/dbraw/zinc/17/31/69/135173169.db2.gz TWKJCGDIAOIBMA-LPEHRKFASA-N 2 0 213.325 0.180 20 0 BCADRP C[N@H+](C[C@@H]1CCOC1)C[C@H]1CCC[NH2+]C1 ZINC000261537701 135174247 /nfs/dbraw/zinc/17/42/47/135174247.db2.gz WENUDZNARJNPJO-RYUDHWBXSA-N 2 0 212.337 0.954 20 0 BCADRP CC(C)OCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261537941 135174328 /nfs/dbraw/zinc/17/43/28/135174328.db2.gz WUZKQMVGIWWQBO-NEPJUHHUSA-N 2 0 212.337 0.953 20 0 BCADRP CC(C)OCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261537944 135175097 /nfs/dbraw/zinc/17/50/97/135175097.db2.gz WUZKQMVGIWWQBO-VXGBXAGGSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@@]1(C[N@@H+]2C[C@H](O)C3(CC3)C2)CC[NH2+]C1 ZINC000261541098 135180939 /nfs/dbraw/zinc/18/09/39/135180939.db2.gz FNCPZKSOUQIKRX-WDEREUQCSA-N 2 0 210.321 0.443 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+](C)C ZINC000261542935 135182980 /nfs/dbraw/zinc/18/29/80/135182980.db2.gz HGSMODCCPVYXEW-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](C)[NH2+]CC ZINC000261554128 135194066 /nfs/dbraw/zinc/19/40/66/135194066.db2.gz TXOYSJKTKQZRAT-MWLCHTKSSA-N 2 0 215.341 0.618 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000261555145 135195054 /nfs/dbraw/zinc/19/50/54/135195054.db2.gz UTROXKLHGVALHZ-SECBINFHSA-N 2 0 213.325 0.502 20 0 BCADRP O[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CC12CC2 ZINC000261557285 135197641 /nfs/dbraw/zinc/19/76/41/135197641.db2.gz XEIDBYMALKXECZ-MNOVXSKESA-N 2 0 210.321 0.443 20 0 BCADRP O[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CC12CC2 ZINC000261557289 135197792 /nfs/dbraw/zinc/19/77/92/135197792.db2.gz XEIDBYMALKXECZ-WDEREUQCSA-N 2 0 210.321 0.443 20 0 BCADRP CCCNC(=O)[C@@H](C)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261558874 135199883 /nfs/dbraw/zinc/19/98/83/135199883.db2.gz SVJFAOCALNCERY-DGCLKSJQSA-N 2 0 239.363 0.587 20 0 BCADRP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2C[C@@H]1CCC[NH2+]C1 ZINC000261561095 135201744 /nfs/dbraw/zinc/20/17/44/135201744.db2.gz VBWSJBQKMXMJOC-QQOHENMQSA-N 2 0 236.359 0.687 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCn3cncn3)C[C@@H]21 ZINC000261562890 135204019 /nfs/dbraw/zinc/20/40/19/135204019.db2.gz WQPNTQAQJBQSGB-SDDRHHMPSA-N 2 0 235.335 0.337 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC000261562887 135204403 /nfs/dbraw/zinc/20/44/03/135204403.db2.gz WQPNTQAQJBQSGB-QJPTWQEYSA-N 2 0 235.335 0.337 20 0 BCADRP CC(C)(C)NC(=O)CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261563355 135205059 /nfs/dbraw/zinc/20/50/59/135205059.db2.gz WZDJQVFGBWJUQA-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000261564172 135205763 /nfs/dbraw/zinc/20/57/63/135205763.db2.gz CIPONYBJCYJONS-NSHDSACASA-N 3 0 215.341 0.165 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000261565760 135207500 /nfs/dbraw/zinc/20/75/00/135207500.db2.gz DFLXAMYZXZAIJU-IVZWLZJFSA-N 2 0 213.325 0.084 20 0 BCADRP C[C@@H]([NH3+])CN(CC[NH3+])Cc1ccccc1 ZINC000261566376 135208625 /nfs/dbraw/zinc/20/86/25/135208625.db2.gz DKNHFQORMDFJQV-LLVKDONJSA-N 2 0 207.321 0.795 20 0 BCADRP CC[NH+](CC)CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000084381430 135215651 /nfs/dbraw/zinc/21/56/51/135215651.db2.gz MIUJPINEWZJFBL-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP [NH3+]CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000261575489 135216879 /nfs/dbraw/zinc/21/68/79/135216879.db2.gz JUQDZWCOIIMLGX-WCQYABFASA-N 2 0 223.364 0.894 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H]2CC[NH2+]2)CCCCC1 ZINC000261577011 135218552 /nfs/dbraw/zinc/21/85/52/135218552.db2.gz KTJRLPZMRZXWAV-SECBINFHSA-N 2 0 211.309 0.126 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000261579919 135221022 /nfs/dbraw/zinc/22/10/22/135221022.db2.gz MPAZFMQXVMWHHX-UHFFFAOYSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1([NH3+])CCCC1 ZINC000261585772 135226763 /nfs/dbraw/zinc/22/67/63/135226763.db2.gz QPMRZWAYMBQAPF-IUCAKERBSA-N 2 0 211.309 0.206 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(CC(C)(C)[NH3+])[C@@H]2C1 ZINC000261585453 135226854 /nfs/dbraw/zinc/22/68/54/135226854.db2.gz QJHVIEUNCJXKAU-WDEREUQCSA-N 2 0 211.353 0.750 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CC[NH2+]CC1 ZINC000261588556 135228934 /nfs/dbraw/zinc/22/89/34/135228934.db2.gz SKSJFTQXZMHEOT-GHMZBOCLSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000261592418 135232589 /nfs/dbraw/zinc/23/25/89/135232589.db2.gz VVOFFSWQXRWWRB-FXPVBKGRSA-N 2 0 213.325 0.357 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)[C@@H](C)C[NH3+] ZINC000261593419 135233301 /nfs/dbraw/zinc/23/33/01/135233301.db2.gz WUKGGJTYKKBHPO-AEJSXWLSSA-N 2 0 213.325 0.180 20 0 BCADRP C(C1CCC1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261594284 135234597 /nfs/dbraw/zinc/23/45/97/135234597.db2.gz XKYULKBNKMTQNW-ZDUSSCGKSA-N 2 0 223.364 0.766 20 0 BCADRP CC(C)([NH3+])CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261594967 135234932 /nfs/dbraw/zinc/23/49/32/135234932.db2.gz XWKAYKPPLMMOSQ-HBNTYKKESA-N 2 0 211.353 0.783 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261599694 135237475 /nfs/dbraw/zinc/23/74/75/135237475.db2.gz ZXJLYMBMBJMMDR-VHSXEESVSA-N 2 0 213.325 0.213 20 0 BCADRP CCC[NH2+]CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000261599130 135237813 /nfs/dbraw/zinc/23/78/13/135237813.db2.gz ATUNUFHETYLTRZ-TXEJJXNPSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC[NH2+]C ZINC000261547748 135240810 /nfs/dbraw/zinc/24/08/10/135240810.db2.gz MRIFFGVBYCPVJJ-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164404351 135242514 /nfs/dbraw/zinc/24/25/14/135242514.db2.gz FKBXAKMHBWTDCR-AXFHLTTASA-N 2 0 225.336 0.134 20 0 BCADRP C[C@@]1(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC000261693446 135245700 /nfs/dbraw/zinc/24/57/00/135245700.db2.gz BLFCOMMFXPETRP-FRRDWIJNSA-N 2 0 223.364 0.812 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000261688058 135246226 /nfs/dbraw/zinc/24/62/26/135246226.db2.gz BXJHNERMHZBGAJ-NEPJUHHUSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261704330 135246614 /nfs/dbraw/zinc/24/66/14/135246614.db2.gz FWISYVZOJWMQAY-YFKTTZPYSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000084420074 135249435 /nfs/dbraw/zinc/24/94/35/135249435.db2.gz GCLNTOFOMUFBRA-UWVGGRQHSA-N 2 0 213.325 0.276 20 0 BCADRP CO[C@@H]1CCN(CC[C@@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000261751543 135250081 /nfs/dbraw/zinc/25/00/81/135250081.db2.gz CGINDCVJXNTSAR-FRRDWIJNSA-N 2 0 242.363 0.851 20 0 BCADRP C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261763306 135250684 /nfs/dbraw/zinc/25/06/84/135250684.db2.gz RJWZCSDWSCFEJG-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP COCC[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000261760753 135250698 /nfs/dbraw/zinc/25/06/98/135250698.db2.gz CXYOBFIZMNUUKN-CYBMUJFWSA-N 2 0 242.363 0.723 20 0 BCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)[NH3+] ZINC000261782403 135252212 /nfs/dbraw/zinc/25/22/12/135252212.db2.gz JQIOJXDBYKOFOP-TUAOUCFPSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000261852170 135256787 /nfs/dbraw/zinc/25/67/87/135256787.db2.gz OVLWCLIQVQONAC-WOPDTQHZSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261838449 135257113 /nfs/dbraw/zinc/25/71/13/135257113.db2.gz PKFVEAXFMWPROP-DBIOUOCHSA-N 2 0 227.352 0.556 20 0 BCADRP CCOCCOCC[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261878434 135259222 /nfs/dbraw/zinc/25/92/22/135259222.db2.gz QKAKMQAMKNEUEP-ZDUSSCGKSA-N 2 0 244.379 0.971 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000261881394 135259633 /nfs/dbraw/zinc/25/96/33/135259633.db2.gz RWWQFWBVPAXHOQ-MWLCHTKSSA-N 2 0 245.392 0.277 20 0 BCADRP [NH3+]C[C@@H](C(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000261886849 135259992 /nfs/dbraw/zinc/25/99/92/135259992.db2.gz BJLNRJRLPLFFCC-OLZOCXBDSA-N 2 0 247.342 0.582 20 0 BCADRP C[C@]1(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC000261891418 135261251 /nfs/dbraw/zinc/26/12/51/135261251.db2.gz TWRSXQLIWCHQGW-AGIUHOORSA-N 2 0 223.364 0.812 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261919915 135262501 /nfs/dbraw/zinc/26/25/01/135262501.db2.gz YSKBTRXAVGQSMV-NEPJUHHUSA-N 2 0 241.379 0.912 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261923080 135263386 /nfs/dbraw/zinc/26/33/86/135263386.db2.gz IUYHBGQZXGIHAT-UMNHJUIQSA-N 2 0 227.352 0.700 20 0 BCADRP OCC[C@@H]1CSCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261937028 135264281 /nfs/dbraw/zinc/26/42/81/135264281.db2.gz MGLZHRCJFYTOHM-VXGBXAGGSA-N 2 0 244.404 0.786 20 0 BCADRP C[NH+]1CCC(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000261974502 135268340 /nfs/dbraw/zinc/26/83/40/135268340.db2.gz UZESHQWMUVRDMR-NSHDSACASA-N 2 0 225.336 0.182 20 0 BCADRP COC(=O)[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262005271 135271213 /nfs/dbraw/zinc/27/12/13/135271213.db2.gz LSEWAZVWZQDMLY-CMPLNLGQSA-N 2 0 226.320 0.481 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000261999058 135271691 /nfs/dbraw/zinc/27/16/91/135271691.db2.gz ARHFVUYKCLRNEN-DMDPSCGWSA-N 2 0 237.347 0.326 20 0 BCADRP COC(=O)[C@@H](C)C[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261999384 135271748 /nfs/dbraw/zinc/27/17/48/135271748.db2.gz LELBTJJVJWJBKL-JQWIXIFHSA-N 2 0 228.336 0.727 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1C[NH2+]C1 ZINC000262034104 135274764 /nfs/dbraw/zinc/27/47/64/135274764.db2.gz PPMFERHAJHLDKB-AOOOYVTPSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@]1(C[N@@H+]2CCCC[C@H]2CC(N)=O)CC[NH2+]C1 ZINC000262064593 135277184 /nfs/dbraw/zinc/27/71/84/135277184.db2.gz RMLDTVJZYZRGLP-WCQYABFASA-N 2 0 239.363 0.716 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000262070838 135277298 /nfs/dbraw/zinc/27/72/98/135277298.db2.gz SLAINNHHSXYAIS-GFCCVEGCSA-N 2 0 227.352 0.526 20 0 BCADRP Cn1cncc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262097103 135278780 /nfs/dbraw/zinc/27/87/80/135278780.db2.gz VHISOSBLJOXFIG-UHFFFAOYSA-N 2 0 234.347 0.996 20 0 BCADRP C[NH2+]CCC(=O)NCC1([NH3+])CCCCCC1 ZINC000262165269 135283265 /nfs/dbraw/zinc/28/32/65/135283265.db2.gz JNTOJTKKBNYDKY-UHFFFAOYSA-N 2 0 227.352 0.764 20 0 BCADRP O=C(C1C[NH2+]C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000262172120 135283719 /nfs/dbraw/zinc/28/37/19/135283719.db2.gz CRXHGLHMGWBAIT-LBPRGKRZSA-N 2 0 237.347 0.293 20 0 BCADRP OCC[C@@H]1CSCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262225919 135285932 /nfs/dbraw/zinc/28/59/32/135285932.db2.gz NGKIASCYHIYZGD-GFCCVEGCSA-N 2 0 244.404 0.786 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262225744 135286595 /nfs/dbraw/zinc/28/65/95/135286595.db2.gz NEFWHDQARGCSCL-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262266781 135289230 /nfs/dbraw/zinc/28/92/30/135289230.db2.gz RZFKCVWEAAEDQT-QWRGUYRKSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000262310264 135292444 /nfs/dbraw/zinc/29/24/44/135292444.db2.gz CVBUHGYYGBGMFM-NWDGAFQWSA-N 2 0 239.363 0.668 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C[NH3+])C1 ZINC000262324771 135292715 /nfs/dbraw/zinc/29/27/15/135292715.db2.gz FWHXGBFGIWBELH-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)C[NH3+])C1 ZINC000262324768 135292952 /nfs/dbraw/zinc/29/29/52/135292952.db2.gz FWHXGBFGIWBELH-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262321669 135293332 /nfs/dbraw/zinc/29/33/32/135293332.db2.gz FGSYRPWUKLAPDE-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](C)C[NH3+] ZINC000262322743 135293351 /nfs/dbraw/zinc/29/33/51/135293351.db2.gz FKAISXKLTYXEDR-WOPDTQHZSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]CCC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000262351567 135294799 /nfs/dbraw/zinc/29/47/99/135294799.db2.gz JCXNJZCCOBCGFU-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C1([NH3+])CCCC1 ZINC000262406119 135295241 /nfs/dbraw/zinc/29/52/41/135295241.db2.gz BIZZQXDBGHKMEV-UHFFFAOYSA-N 2 0 227.352 0.701 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262425473 135296427 /nfs/dbraw/zinc/29/64/27/135296427.db2.gz SFGJHJPUQLUNEX-GWCFXTLKSA-N 2 0 247.342 0.584 20 0 BCADRP C[C@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)C1C[NH2+]C1 ZINC000262394625 135298331 /nfs/dbraw/zinc/29/83/31/135298331.db2.gz ORDOJGKIWLQIOE-CABZTGNLSA-N 2 0 239.363 0.298 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000262391692 135298951 /nfs/dbraw/zinc/29/89/51/135298951.db2.gz PPQZONDZGOHXDV-RISCZKNCSA-N 2 0 249.358 0.975 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000262394734 135298983 /nfs/dbraw/zinc/29/89/83/135298983.db2.gz OSIOCCSSRVXYOR-UTUOFQBUSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000262384002 135299011 /nfs/dbraw/zinc/29/90/11/135299011.db2.gz NGBPQSCLAKEBHU-NWDGAFQWSA-N 2 0 241.379 0.914 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000342596316 135301184 /nfs/dbraw/zinc/30/11/84/135301184.db2.gz SCBALBYPHXCTLF-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262478131 135301648 /nfs/dbraw/zinc/30/16/48/135301648.db2.gz ZEPWZPJALHTSMD-JOYOIKCWSA-N 2 0 233.315 0.337 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262491737 135302797 /nfs/dbraw/zinc/30/27/97/135302797.db2.gz XLZMCGJFRSXEDR-NHCYSSNCSA-N 2 0 241.379 0.994 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000262527347 135304242 /nfs/dbraw/zinc/30/42/42/135304242.db2.gz BDYSXLYGIBSWDA-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000262533771 135304414 /nfs/dbraw/zinc/30/44/14/135304414.db2.gz OVEPDLRWEJJSSW-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)C[NH2+]CC1CC1 ZINC000262579660 135306192 /nfs/dbraw/zinc/30/61/92/135306192.db2.gz IGDSTVSIOIFJBC-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000262589545 135306945 /nfs/dbraw/zinc/30/69/45/135306945.db2.gz ZHJVTGWTNPTADW-GFCCVEGCSA-N 2 0 241.379 0.783 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000262582698 135307147 /nfs/dbraw/zinc/30/71/47/135307147.db2.gz QMJSPNDDDIDYFR-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@H]1CC[NH2+]C1 ZINC000342702468 135308523 /nfs/dbraw/zinc/30/85/23/135308523.db2.gz CZZOFCZTNIQCIN-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)C[NH2+]CC1CC1 ZINC000262635325 135309976 /nfs/dbraw/zinc/30/99/76/135309976.db2.gz PKBQQFZBNPKPAD-LBPRGKRZSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@]1(CNC(=O)C[C@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000342751043 135311073 /nfs/dbraw/zinc/31/10/73/135311073.db2.gz ZYUBVWSSPJISEU-YPMHNXCESA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@]1(CNC(=O)C[C@@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000342751041 135311484 /nfs/dbraw/zinc/31/14/84/135311484.db2.gz ZYUBVWSSPJISEU-WCQYABFASA-N 2 0 239.363 0.634 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000342753259 135312001 /nfs/dbraw/zinc/31/20/01/135312001.db2.gz PVGYDPKCOVBTQN-LOWVWBTDSA-N 2 0 241.379 0.864 20 0 BCADRP CC[NH+](CC)CCN(CCOC)C(=O)C[NH2+]C ZINC000262680072 135312813 /nfs/dbraw/zinc/31/28/13/135312813.db2.gz WOTHOUIXKJWOBN-UHFFFAOYSA-N 2 0 245.367 0.023 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C[NH2+]CC1CC1 ZINC000262737939 135316425 /nfs/dbraw/zinc/31/64/25/135316425.db2.gz GSXSGCKDLYJNPI-ZYHUDNBSSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CCCC[NH2+]2)CC[NH2+]1 ZINC000262787163 135318423 /nfs/dbraw/zinc/31/84/23/135318423.db2.gz CUBWSNLBXHDGHC-NTZNESFSSA-N 2 0 239.363 0.775 20 0 BCADRP C[NH+](C)C1(CNC2=[NH+]CCCN2)CCC1 ZINC000262809206 135319273 /nfs/dbraw/zinc/31/92/73/135319273.db2.gz TUTVMCDCVILMCI-UHFFFAOYSA-N 2 0 210.325 0.410 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000262967466 135325943 /nfs/dbraw/zinc/32/59/43/135325943.db2.gz LJWRALONOTUNFD-WZRBSPASSA-N 2 0 239.363 0.748 20 0 BCADRP [NH3+]CCN1CCC(CN2CCCCC2=O)CC1 ZINC000262985824 135326054 /nfs/dbraw/zinc/32/60/54/135326054.db2.gz NCXTZZGPBDPIQN-UHFFFAOYSA-N 2 0 239.363 0.670 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000263006463 135326940 /nfs/dbraw/zinc/32/69/40/135326940.db2.gz PHDPHFLJZRELIR-DGCLKSJQSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CC[NH3+] ZINC000263299482 135345229 /nfs/dbraw/zinc/34/52/29/135345229.db2.gz YYUZBYGLQPNPIQ-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000263296629 135345273 /nfs/dbraw/zinc/34/52/73/135345273.db2.gz WKWCSQOZGLKMME-GVXVVHGQSA-N 2 0 239.363 0.844 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1C[NH2+]C1 ZINC000263293781 135345444 /nfs/dbraw/zinc/34/54/44/135345444.db2.gz MAJMXLGDRTYKQN-VXGBXAGGSA-N 2 0 237.347 0.291 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000081000485 135385950 /nfs/dbraw/zinc/38/59/50/135385950.db2.gz MULXAGHXFGVOBY-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP O=C(NCC1C[NH2+]C1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000334456256 135417569 /nfs/dbraw/zinc/41/75/69/135417569.db2.gz HCAJIQQYARXWTH-ZDUSSCGKSA-N 2 0 245.326 0.037 20 0 BCADRP [NH3+][C@H](C(=O)NC1CC[NH2+]CC1)c1ccccc1 ZINC000082260760 135431510 /nfs/dbraw/zinc/43/15/10/135431510.db2.gz YEZKTFARRSOIFC-LBPRGKRZSA-N 2 0 233.315 0.555 20 0 BCADRP C[NH+]1CCC(CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000083911671 135461410 /nfs/dbraw/zinc/46/14/10/135461410.db2.gz IRBQUMJDIJNCIF-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@H](c1ccccc1)N(C)C ZINC000347647281 136000208 /nfs/dbraw/zinc/00/02/08/136000208.db2.gz FSRZXSOURPSSNK-PWSUYJOCSA-N 2 0 235.331 0.753 20 0 BCADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC[NH3+] ZINC000335293906 136004849 /nfs/dbraw/zinc/00/48/49/136004849.db2.gz HKPMYWVBMOLKHP-GHMZBOCLSA-N 2 0 240.351 0.213 20 0 BCADRP Cc1cc(N2CCN3CCOC[C@H]3C2)ncn1 ZINC000347872786 136017145 /nfs/dbraw/zinc/01/71/45/136017145.db2.gz DJLITWAETRMTTA-LLVKDONJSA-N 2 0 234.303 0.306 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000335322149 136050303 /nfs/dbraw/zinc/05/03/03/136050303.db2.gz QDESBHKSVFOERX-KOLCDFICSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C[NH3+] ZINC000335345307 136065936 /nfs/dbraw/zinc/06/59/36/136065936.db2.gz NTKAWKCKTGSOSG-SECBINFHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H]1CN(Cc2cc[nH]n2)C[C@@]1(C)C[NH3+] ZINC000335349005 136068042 /nfs/dbraw/zinc/06/80/42/136068042.db2.gz NNSOVVPKHOQDHW-MWLCHTKSSA-N 2 0 208.309 0.826 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335369252 136082558 /nfs/dbraw/zinc/08/25/58/136082558.db2.gz VIKZMUMULQHAGL-JTQLQIEISA-N 2 0 225.336 0.006 20 0 BCADRP [NH3+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000335379747 136086591 /nfs/dbraw/zinc/08/65/91/136086591.db2.gz JOUWYNJFCAPQBQ-UHFFFAOYSA-N 2 0 237.347 0.565 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000335387815 136089874 /nfs/dbraw/zinc/08/98/74/136089874.db2.gz UKMCQWXKOCPQGW-JQWIXIFHSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000335389051 136089890 /nfs/dbraw/zinc/08/98/90/136089890.db2.gz HOJKBKFDTAFJFX-YPMHNXCESA-N 2 0 245.326 0.433 20 0 BCADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000335389063 136090223 /nfs/dbraw/zinc/09/02/23/136090223.db2.gz HTQCFBBHVKVZRL-JOYOIKCWSA-N 2 0 233.315 0.880 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335391095 136090965 /nfs/dbraw/zinc/09/09/65/136090965.db2.gz TYDGBUWLTULXJA-SNVBAGLBSA-N 2 0 225.336 0.054 20 0 BCADRP [NH3+]CCC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000335394209 136091741 /nfs/dbraw/zinc/09/17/41/136091741.db2.gz DQCCJPCJTIMHOI-QWRGUYRKSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+][C@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000335396193 136092618 /nfs/dbraw/zinc/09/26/18/136092618.db2.gz RVJBQBKJYOQFBF-AAEUAGOBSA-N 2 0 237.347 0.326 20 0 BCADRP CNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335397745 136092890 /nfs/dbraw/zinc/09/28/90/136092890.db2.gz WURHIUAZDDAFPG-QWRGUYRKSA-N 2 0 225.336 0.054 20 0 BCADRP O=C1NCC[C@H]1[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000335397763 136092947 /nfs/dbraw/zinc/09/29/47/136092947.db2.gz YAIZTXVOFXRLQK-VXGBXAGGSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)C1CC[NH2+]CC1 ZINC000335396927 136093092 /nfs/dbraw/zinc/09/30/92/136093092.db2.gz ARGLMUSZDAUVKD-ZYHUDNBSSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)C1CC[NH2+]CC1 ZINC000335396925 136093125 /nfs/dbraw/zinc/09/31/25/136093125.db2.gz ARGLMUSZDAUVKD-JQWIXIFHSA-N 2 0 239.363 0.585 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000335398633 136093404 /nfs/dbraw/zinc/09/34/04/136093404.db2.gz IXZNSUJUWGBIKD-ZYHUDNBSSA-N 2 0 233.315 0.473 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000335398623 136093458 /nfs/dbraw/zinc/09/34/58/136093458.db2.gz IXZNSUJUWGBIKD-CMPLNLGQSA-N 2 0 233.315 0.473 20 0 BCADRP [NH3+]CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000335363783 136094996 /nfs/dbraw/zinc/09/49/96/136094996.db2.gz RUBBAQBETVAWKE-LLVKDONJSA-N 2 0 240.351 0.215 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000335554046 136098822 /nfs/dbraw/zinc/09/88/22/136098822.db2.gz AGXRNHOPAMAFPI-GXSJLCMTSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@H]1CCN(C(=O)C(C)(C)C[NH3+])C[C@@H]1C[NH3+] ZINC000335596986 136104980 /nfs/dbraw/zinc/10/49/80/136104980.db2.gz FVDIHADDXCPRAF-UWVGGRQHSA-N 2 0 227.352 0.415 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C2(C)C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000335562881 136106582 /nfs/dbraw/zinc/10/65/82/136106582.db2.gz ZNJYGAMVZVBJCL-ZJUUUORDSA-N 2 0 237.347 0.337 20 0 BCADRP CC1(C)CN(C(=O)c2ccc(C[NH3+])o2)CC[NH2+]1 ZINC000335598980 136113802 /nfs/dbraw/zinc/11/38/02/136113802.db2.gz ORJVBTSWAQQFDB-UHFFFAOYSA-N 2 0 237.303 0.562 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@H](C)[NH3+] ZINC000037825168 166955081 /nfs/dbraw/zinc/95/50/81/166955081.db2.gz PADJOYSUNHACQC-JTQLQIEISA-N 2 0 215.341 0.380 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)C[C@H](C)[NH2+]1 ZINC000644087170 397754881 /nfs/dbraw/zinc/75/48/81/397754881.db2.gz HSQGSZIDNJAQPI-AEJSXWLSSA-N 2 0 225.336 0.193 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000248858930 397766515 /nfs/dbraw/zinc/76/65/15/397766515.db2.gz LTWUUIMXVBYMTB-AXFHLTTASA-N 2 0 239.363 0.855 20 0 BCADRP [NH3+]CCCCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000381528000 397737754 /nfs/dbraw/zinc/73/77/54/397737754.db2.gz XSCFKHDCEOJDQO-QMMMGPOBSA-N 2 0 210.281 0.776 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000390353405 397885806 /nfs/dbraw/zinc/88/58/06/397885806.db2.gz PWINKQQZBNZHSU-NSHDSACASA-N 2 0 213.325 0.311 20 0 BCADRP C[NH+](C)C1CN(C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000382310611 397935154 /nfs/dbraw/zinc/93/51/54/397935154.db2.gz RZWPOSXQKBZVJP-UHFFFAOYSA-N 2 0 248.330 0.923 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000054132995 397903848 /nfs/dbraw/zinc/90/38/48/397903848.db2.gz VJZRLXNCIHDNFJ-JTQLQIEISA-N 2 0 215.341 0.428 20 0 BCADRP Cc1cnn(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000303029874 398005766 /nfs/dbraw/zinc/00/57/66/398005766.db2.gz RORMBYQLCGCJSJ-TXEJJXNPSA-N 2 0 220.320 0.343 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953141 398009543 /nfs/dbraw/zinc/00/95/43/398009543.db2.gz DJZJXIBPBUQKTM-MWLCHTKSSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373052893 398010415 /nfs/dbraw/zinc/01/04/15/398010415.db2.gz DGAICUFEZGBEQA-GMTAPVOTSA-N 2 0 239.363 0.570 20 0 BCADRP Cn1ccnc1[C@@H]1CCC[N@H+](CCCO)C1 ZINC000373116479 398013735 /nfs/dbraw/zinc/01/37/35/398013735.db2.gz WLTQUWLJZJOMGF-LLVKDONJSA-N 2 0 223.320 0.982 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000648122266 398014617 /nfs/dbraw/zinc/01/46/17/398014617.db2.gz PYAJEWQDNCJSQX-DOLQZWNJSA-N 2 0 211.309 0.110 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637807856 398023383 /nfs/dbraw/zinc/02/33/83/398023383.db2.gz PSRZVHBIJWLRNH-MVWJERBFSA-N 2 0 237.347 0.762 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000365094609 398023537 /nfs/dbraw/zinc/02/35/37/398023537.db2.gz OSRMJPSPWVUVSM-HOSYDEDBSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637807857 398023821 /nfs/dbraw/zinc/02/38/21/398023821.db2.gz PSRZVHBIJWLRNH-WCQGTBRESA-N 2 0 237.347 0.762 20 0 BCADRP [NH3+]CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000169807023 398031387 /nfs/dbraw/zinc/03/13/87/398031387.db2.gz OCGSONYEAUEQRF-NSHDSACASA-N 2 0 219.288 0.118 20 0 BCADRP C[C@H]1CCN(C(=O)NCCC[NH3+])[C@H](C[NH3+])C1 ZINC000418316866 398033016 /nfs/dbraw/zinc/03/30/16/398033016.db2.gz XJJFGQSTMVGVGI-UWVGGRQHSA-N 2 0 228.340 0.104 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@@](C)(O)C1 ZINC000383687775 398034758 /nfs/dbraw/zinc/03/47/58/398034758.db2.gz SEZGRKJIFLRHPC-CHWSQXEVSA-N 2 0 244.379 0.534 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418321020 398036159 /nfs/dbraw/zinc/03/61/59/398036159.db2.gz XMHKCRMHKJHNMR-GHMZBOCLSA-N 2 0 242.367 0.413 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000564726875 398039480 /nfs/dbraw/zinc/03/94/80/398039480.db2.gz NEVMUPTWLCZFRT-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)CCC(C)(C)[NH3+] ZINC000381781768 398039848 /nfs/dbraw/zinc/03/98/48/398039848.db2.gz YASSMCILVVWGRU-SECBINFHSA-N 2 0 215.341 0.618 20 0 BCADRP CC[NH+](CC)CC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000531297278 397969688 /nfs/dbraw/zinc/96/96/88/397969688.db2.gz LEYAEPSXPHQNRZ-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP C[N@H+](CCn1cccn1)C[C@H]1CC[NH2+]C1 ZINC000382747403 397971738 /nfs/dbraw/zinc/97/17/38/397971738.db2.gz ABDDAOSPYKIMGD-NSHDSACASA-N 2 0 208.309 0.424 20 0 BCADRP C[C@H](C(=O)NC(C)(C)C)N(C)C[C@@H]1CC[NH2+]C1 ZINC000382754207 397972114 /nfs/dbraw/zinc/97/21/14/397972114.db2.gz KNVDWUFWYFELJJ-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP CN(CCC[NH3+])C(=O)CCC(C)(C)[NH3+] ZINC000389612943 397985769 /nfs/dbraw/zinc/98/57/69/397985769.db2.gz FCSXKGWLKVJASY-UHFFFAOYSA-N 2 0 201.314 0.311 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000365049029 397987191 /nfs/dbraw/zinc/98/71/91/397987191.db2.gz RQXWERDHLXSZDF-ZYHUDNBSSA-N 2 0 245.342 0.535 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC000393048299 398061908 /nfs/dbraw/zinc/06/19/08/398061908.db2.gz DKQYSSFWYWMANP-NWDGAFQWSA-N 2 0 239.363 0.620 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000638096365 398075655 /nfs/dbraw/zinc/07/56/55/398075655.db2.gz IDMOVCGCMYIPLZ-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000638096367 398075798 /nfs/dbraw/zinc/07/57/98/398075798.db2.gz IDMOVCGCMYIPLZ-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)/C=C/C[NH+](C)C)CC[N@@H+]1C ZINC000491904975 398076992 /nfs/dbraw/zinc/07/69/92/398076992.db2.gz NAZOTLITDZQCFA-AIIUZBJTSA-N 2 0 239.363 0.703 20 0 BCADRP COC[C@@H]1C[C@@H](O)C[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000649744831 398082847 /nfs/dbraw/zinc/08/28/47/398082847.db2.gz OWGQKZXPQYEZCO-RWMBFGLXSA-N 2 0 242.363 0.552 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000418433327 398088041 /nfs/dbraw/zinc/08/80/41/398088041.db2.gz CZVNJBGURXKMBQ-UWVGGRQHSA-N 2 0 230.356 0.396 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000236911146 398117679 /nfs/dbraw/zinc/11/76/79/398117679.db2.gz XRBOAJYJXUNWQZ-PWSUYJOCSA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)(O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000309290722 398118712 /nfs/dbraw/zinc/11/87/12/398118712.db2.gz JIGKTZRHSCBHOE-LLVKDONJSA-N 2 0 230.352 0.194 20 0 BCADRP Cn1cc(CC[N@H+](C)C2CC([NH3+])C2)cn1 ZINC000384803291 398109839 /nfs/dbraw/zinc/10/98/39/398109839.db2.gz YTIIGURPKCMHQU-UHFFFAOYSA-N 2 0 208.309 0.384 20 0 BCADRP CCN1CC[C@H]([NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000389524914 398110434 /nfs/dbraw/zinc/11/04/34/398110434.db2.gz HPBWBZGOUYEZKC-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H]1CN(C(=O)c2ccc(C[NH3+])o2)[C@@H](C)C[NH2+]1 ZINC000237644598 398112978 /nfs/dbraw/zinc/11/29/78/398112978.db2.gz OAPLUALBYPAVHL-IUCAKERBSA-N 2 0 237.303 0.561 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000309395669 171370474 /nfs/dbraw/zinc/37/04/74/171370474.db2.gz GOAVCWCDUJQHFK-DTWKUNHWSA-N 2 0 213.325 0.357 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[NH+](CC)CC ZINC000019430583 171371221 /nfs/dbraw/zinc/37/12/21/171371221.db2.gz TWCZDBRVXIYDJS-WDEREUQCSA-N 2 0 229.368 0.818 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649276882 398135080 /nfs/dbraw/zinc/13/50/80/398135080.db2.gz OMQZZIGSGCSTSD-MXWKQRLJSA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)N1C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000332713405 167032575 /nfs/dbraw/zinc/03/25/75/167032575.db2.gz PISCDLQKLWIPOR-UTUOFQBUSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626433 167052423 /nfs/dbraw/zinc/05/24/23/167052423.db2.gz OHXPZJZEEVYDCJ-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+]C[C@H](CN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000258203230 322874636 /nfs/dbraw/zinc/87/46/36/322874636.db2.gz JKOHKMLERTYQKO-GFCCVEGCSA-N 2 0 237.322 0.773 20 0 BCADRP [NH3+]C[C@H](NC[C@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000662276148 487529345 /nfs/dbraw/zinc/52/93/45/487529345.db2.gz FXCNYIUMQMSNCG-OLZOCXBDSA-N 2 0 241.379 0.472 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)[NH+](C)C ZINC000674246305 487536015 /nfs/dbraw/zinc/53/60/15/487536015.db2.gz IUFGHPSDVPTTTF-QWRGUYRKSA-N 2 0 229.368 0.783 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000086853327 487566350 /nfs/dbraw/zinc/56/63/50/487566350.db2.gz WJQNFPYQBHHQDK-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)CC1([NH3+])CCC1 ZINC000086853429 487566515 /nfs/dbraw/zinc/56/65/15/487566515.db2.gz ZEQNPGIYSOZUKQ-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)NCCC[NH+]1CCCCC1 ZINC000668803243 487567285 /nfs/dbraw/zinc/56/72/85/487567285.db2.gz JGPLLGQPJSPXBC-LLVKDONJSA-N 2 0 242.367 0.509 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000151829063 487567300 /nfs/dbraw/zinc/56/73/00/487567300.db2.gz JNJZYEHWXIXCED-NSHDSACASA-N 2 0 227.352 0.633 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)CC1([NH3+])CCC1 ZINC000086853555 487567702 /nfs/dbraw/zinc/56/77/02/487567702.db2.gz WURSRYMMGRGABW-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP CCCC[N@H+](CCO)C[C@H]1CC[NH2+]C1 ZINC000238208778 487570085 /nfs/dbraw/zinc/57/00/85/487570085.db2.gz ISZAZYDTLREEDA-NSHDSACASA-N 2 0 200.326 0.690 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC(C)(C)[NH+](C)C ZINC000040807250 487585020 /nfs/dbraw/zinc/58/50/20/487585020.db2.gz JXISKCMMLLIMBL-UHFFFAOYSA-N 2 0 215.341 0.441 20 0 BCADRP [NH3+]CCC[NH+]1CCC(CCCO)CC1 ZINC000238565724 487586570 /nfs/dbraw/zinc/58/65/70/487586570.db2.gz KODFBEAMYUSQLT-UHFFFAOYSA-N 2 0 200.326 0.820 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CCOC1 ZINC000393850323 487587206 /nfs/dbraw/zinc/58/72/06/487587206.db2.gz QYCQDJVJRQWUFC-STQMWFEESA-N 2 0 244.379 0.656 20 0 BCADRP OCCC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000238645236 487588623 /nfs/dbraw/zinc/58/86/23/487588623.db2.gz YYGURBNQYBEZFC-GFCCVEGCSA-N 2 0 212.337 0.690 20 0 BCADRP CC(=O)NC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000135297005 487589070 /nfs/dbraw/zinc/58/90/70/487589070.db2.gz NPYCBUUJUAZBCL-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000669391381 487596725 /nfs/dbraw/zinc/59/67/25/487596725.db2.gz WAFGWGLJHZSWLW-GARJFASQSA-N 2 0 240.351 0.260 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C1)c1cccc2c1CC[NH2+]C2 ZINC000662401365 487598665 /nfs/dbraw/zinc/59/86/65/487598665.db2.gz SAXZUKKTSHAGNT-NSHDSACASA-N 2 0 245.326 0.424 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000662411145 487602016 /nfs/dbraw/zinc/60/20/16/487602016.db2.gz ZDEYHQYPHOPYPL-KOLCDFICSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000655245856 487603444 /nfs/dbraw/zinc/60/34/44/487603444.db2.gz ZDIJGLIQTWEHTP-UTUOFQBUSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCC2(C)C)C[C@@H](C)[NH2+]1 ZINC000662416113 487604390 /nfs/dbraw/zinc/60/43/90/487604390.db2.gz TWXLBEQJXLLNER-GMTAPVOTSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000662414804 487603962 /nfs/dbraw/zinc/60/39/62/487603962.db2.gz DUQRGBVLIQKPHT-WDEREUQCSA-N 2 0 229.368 0.831 20 0 BCADRP C[NH+](C)Cc1ccc(C[NH2+]CCC(N)=O)cc1 ZINC000556750288 322921636 /nfs/dbraw/zinc/92/16/36/322921636.db2.gz DBMWEUNXPJEDFP-UHFFFAOYSA-N 2 0 235.331 0.713 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cn[nH]c1 ZINC000674711145 487607428 /nfs/dbraw/zinc/60/74/28/487607428.db2.gz QNTNHDUPCDJZPN-LBPRGKRZSA-N 2 0 240.351 0.856 20 0 BCADRP COCC[N@H+](C)C[C@H](O)CN1CC(C)(C)C1 ZINC000309762545 487609066 /nfs/dbraw/zinc/60/90/66/487609066.db2.gz FBYXKDJYBFEVGC-NSHDSACASA-N 2 0 230.352 0.267 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662266328 409565558 /nfs/dbraw/zinc/56/55/58/409565558.db2.gz LZKVBSZIELGXRV-TUAOUCFPSA-N 3 0 239.363 0.177 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C[C@H]1C[NH2+]CCO1 ZINC000662267742 409570053 /nfs/dbraw/zinc/57/00/53/409570053.db2.gz YHYAOUOVOYOSEO-VXGBXAGGSA-N 2 0 227.352 0.049 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CNCCO2)CC1 ZINC000662245226 409539116 /nfs/dbraw/zinc/53/91/16/409539116.db2.gz JFOYTLAAOFQPPK-CMPLNLGQSA-N 2 0 227.352 0.034 20 0 BCADRP c1ccc2c(c1)C[NH2+]CCN2C[C@H]1C[NH2+]CCO1 ZINC000662247743 409549402 /nfs/dbraw/zinc/54/94/02/409549402.db2.gz ZRRXVFYQTVGEKV-CYBMUJFWSA-N 2 0 247.342 0.585 20 0 BCADRP C([C@@H]1CNCCO1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000662274802 409586541 /nfs/dbraw/zinc/58/65/41/409586541.db2.gz XFCJYKYWTIIQKF-LBPRGKRZSA-N 3 0 239.363 0.050 20 0 BCADRP CO[C@@H](C[N@H+](C)C[C@@H](O)C[NH3+])C1CCCC1 ZINC000662277214 409590573 /nfs/dbraw/zinc/59/05/73/409590573.db2.gz NHELYNMRTXRVDH-RYUDHWBXSA-N 2 0 230.352 0.443 20 0 BCADRP CO[C@@H](C[N@H+](C)C[C@H](O)C[NH3+])C1CCCC1 ZINC000662277208 409591315 /nfs/dbraw/zinc/59/13/15/409591315.db2.gz NHELYNMRTXRVDH-NEPJUHHUSA-N 2 0 230.352 0.443 20 0 BCADRP CO[C@H](C[N@@H+]1CCCO[C@@H](C[NH3+])C1)C1CCC1 ZINC000662280696 409600105 /nfs/dbraw/zinc/60/01/05/409600105.db2.gz GYZWQTCKIMLPQY-QWHCGFSZSA-N 2 0 242.363 0.851 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2C[C@H]1C[NH2+]CCO1 ZINC000662282485 409606802 /nfs/dbraw/zinc/60/68/02/409606802.db2.gz ACXWLMBVEBABLN-OTTFEQOBSA-N 2 0 239.363 0.178 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C[NH2+]C(C)C ZINC000662409871 409701196 /nfs/dbraw/zinc/70/11/96/409701196.db2.gz FPIPHEPNSFFAAA-UHFFFAOYSA-N 2 0 215.341 0.489 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000662419160 409704184 /nfs/dbraw/zinc/70/41/84/409704184.db2.gz DYVZKBCWSXQTNZ-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662423592 409709324 /nfs/dbraw/zinc/70/93/24/409709324.db2.gz NTWJERXICMDATN-VHSXEESVSA-N 2 0 227.352 0.474 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC([NH3+])(CC)CC ZINC000662426069 409709901 /nfs/dbraw/zinc/70/99/01/409709901.db2.gz SAHKAPFOIXMATD-VIFPVBQESA-N 2 0 215.341 0.618 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000662383482 409685905 /nfs/dbraw/zinc/68/59/05/409685905.db2.gz LKSWXTCAWMZALI-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000662440340 409722208 /nfs/dbraw/zinc/72/22/08/409722208.db2.gz XQBXSHHDCNYMFW-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000662479421 409729644 /nfs/dbraw/zinc/72/96/44/409729644.db2.gz IEOOEFPJFPCPPV-NXEZZACHSA-N 2 0 215.341 0.441 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000662513938 409741418 /nfs/dbraw/zinc/74/14/18/409741418.db2.gz HKGRBBWGYGIMEH-WOPDTQHZSA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000662552653 409755517 /nfs/dbraw/zinc/75/55/17/409755517.db2.gz CROYORMPTFMKIS-ZDUSSCGKSA-N 2 0 247.342 0.904 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000662580906 409767564 /nfs/dbraw/zinc/76/75/64/409767564.db2.gz DMVZGXNUFXHNHH-LOWVWBTDSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1CCC[N@H+](CCNC(=O)CC2([NH3+])CC2)C1 ZINC000662680082 409828792 /nfs/dbraw/zinc/82/87/92/409828792.db2.gz FEKOSWKYMGUJGW-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[NH2+]1 ZINC000653136406 409856670 /nfs/dbraw/zinc/85/66/70/409856670.db2.gz OJMWGQQIXMTXSC-WRWGMCAJSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653125745 409835766 /nfs/dbraw/zinc/83/57/66/409835766.db2.gz XWLSOJUGMXABQT-NXEZZACHSA-N 2 0 213.325 0.087 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653127928 409841118 /nfs/dbraw/zinc/84/11/18/409841118.db2.gz AAHHDYLBCSQFBI-UWVGGRQHSA-N 2 0 213.325 0.230 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662623647 409795425 /nfs/dbraw/zinc/79/54/25/409795425.db2.gz ZOAARWSOHPGVHG-QWRGUYRKSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653135089 409854104 /nfs/dbraw/zinc/85/41/04/409854104.db2.gz SLYYMLQUWDDNQJ-WOPDTQHZSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H](CCNC(=O)[C@H]1CC[NH2+][C@H]1C)[NH+](C)C ZINC000662632500 409803944 /nfs/dbraw/zinc/80/39/44/409803944.db2.gz DBNOHXHXSWXRQH-VWYCJHECSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662647728 409809162 /nfs/dbraw/zinc/80/91/62/409809162.db2.gz CLLMTCPIWGSXQJ-VHSXEESVSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662647721 409810300 /nfs/dbraw/zinc/81/03/00/409810300.db2.gz CLLMTCPIWGSXQJ-NXEZZACHSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653135088 409854450 /nfs/dbraw/zinc/85/44/50/409854450.db2.gz SLYYMLQUWDDNQJ-UTUOFQBUSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662782413 409912663 /nfs/dbraw/zinc/91/26/63/409912663.db2.gz JCCRSXCLAWHECK-RKDXNWHRSA-N 2 0 225.336 0.500 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000662786171 409919732 /nfs/dbraw/zinc/91/97/32/409919732.db2.gz ZOYXZAXXUPKJKY-CDECOKDKSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@@H](NC(=O)[C@H]1CCC[NH2+]CC1)[C@H](C)[NH3+] ZINC000653144269 409867319 /nfs/dbraw/zinc/86/73/19/409867319.db2.gz MBOFTMUHVQVMKZ-AEJSXWLSSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653144856 409870374 /nfs/dbraw/zinc/87/03/74/409870374.db2.gz JIYOOOJFJLVSJQ-HBNTYKKESA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653146940 409871759 /nfs/dbraw/zinc/87/17/59/409871759.db2.gz GLFUJVDUIVUDDN-WOPDTQHZSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000308588244 409886682 /nfs/dbraw/zinc/88/66/82/409886682.db2.gz JHFAJDWTFHBEPE-HBNTYKKESA-N 2 0 200.326 0.830 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662765262 409888056 /nfs/dbraw/zinc/88/80/56/409888056.db2.gz XJRIXEZLDLPJQU-SSDOTTSWSA-N 2 0 240.307 0.336 20 0 BCADRP [NH3+]CCOc1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000662765954 409888335 /nfs/dbraw/zinc/88/83/35/409888335.db2.gz WWGICEAQILRWTG-MGCOHNPYSA-N 2 0 249.314 0.700 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000662771303 409892572 /nfs/dbraw/zinc/89/25/72/409892572.db2.gz WWXPKHAVTDMCNC-HBNTYKKESA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@]1(C(=O)NCC2([NH3+])CCCC2)CCC[NH2+]C1 ZINC000662862833 409958362 /nfs/dbraw/zinc/95/83/62/409958362.db2.gz GGVUECXFWNQYST-GFCCVEGCSA-N 2 0 239.363 0.764 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000662844943 409948338 /nfs/dbraw/zinc/94/83/38/409948338.db2.gz JAMPXYIWEZTVMO-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000662839407 409948544 /nfs/dbraw/zinc/94/85/44/409948544.db2.gz QNXLPZNDGAFTQC-MNOVXSKESA-N 2 0 237.347 0.611 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663010631 410028169 /nfs/dbraw/zinc/02/81/69/410028169.db2.gz KVDMSOPBXUPDQB-KOLCDFICSA-N 2 0 213.325 0.243 20 0 BCADRP C[C@@]1(NC(=O)CC[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000663011279 410028998 /nfs/dbraw/zinc/02/89/98/410028998.db2.gz OHOAVSIAJHNIHH-CMPLNLGQSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000662969561 409999156 /nfs/dbraw/zinc/99/91/56/409999156.db2.gz OEOJPFPHXGOTKY-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000429633793 487612577 /nfs/dbraw/zinc/61/25/77/487612577.db2.gz JGEMETNPOJEBOY-ZJUUUORDSA-N 2 0 227.352 0.748 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCCC[N@H+](C)CC(C)C ZINC000653175875 410151902 /nfs/dbraw/zinc/15/19/02/410151902.db2.gz DVODDYQVDUCKMG-LBPRGKRZSA-N 2 0 243.395 0.936 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653165553 410131363 /nfs/dbraw/zinc/13/13/63/410131363.db2.gz SMAGEPOQAUIADU-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCCC[N@H+](C)CC(C)C ZINC000653175874 410153084 /nfs/dbraw/zinc/15/30/84/410153084.db2.gz DVODDYQVDUCKMG-GFCCVEGCSA-N 2 0 243.395 0.936 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655412188 410214934 /nfs/dbraw/zinc/21/49/34/410214934.db2.gz NQHDWLPMCDZLTC-MDZLAQPJSA-N 2 0 237.347 0.244 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)C1 ZINC000655411853 410215728 /nfs/dbraw/zinc/21/57/28/410215728.db2.gz YLKMOCYQIHJLKQ-WZRBSPASSA-N 2 0 237.347 0.326 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655413046 410215813 /nfs/dbraw/zinc/21/58/13/410215813.db2.gz JTQZASNBLFUOQV-PWSUYJOCSA-N 2 0 225.336 0.102 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655413151 410216685 /nfs/dbraw/zinc/21/66/85/410216685.db2.gz MMYPPVYSQDONAR-WCQYABFASA-N 2 0 239.363 0.492 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655412189 410216737 /nfs/dbraw/zinc/21/67/37/410216737.db2.gz NQHDWLPMCDZLTC-NQBHXWOUSA-N 2 0 237.347 0.244 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)[NH+](C)C ZINC000653194492 410160713 /nfs/dbraw/zinc/16/07/13/410160713.db2.gz KSMPIHVZVGGGSH-GVXVVHGQSA-N 2 0 239.363 0.524 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000653210603 410166362 /nfs/dbraw/zinc/16/63/62/410166362.db2.gz BWJHZRMZTBIMTO-ZDUSSCGKSA-N 2 0 247.342 0.774 20 0 BCADRP C[C@@]1(C(=O)NCCC2(C[NH3+])CC2)CCC[NH2+]C1 ZINC000653221202 410168667 /nfs/dbraw/zinc/16/86/67/410168667.db2.gz MQHGSGVGHZUPCV-GFCCVEGCSA-N 2 0 239.363 0.621 20 0 BCADRP CC[C@@]1(C(=O)NCCC2(C[NH3+])CC2)CCC[NH2+]1 ZINC000653220972 410168992 /nfs/dbraw/zinc/16/89/92/410168992.db2.gz BJUGRZXEJPANLN-ZDUSSCGKSA-N 2 0 239.363 0.764 20 0 BCADRP C[C@@]1(C(=O)NCCC2(C[NH3+])CC2)CCC[NH2+]1 ZINC000653220944 410169858 /nfs/dbraw/zinc/16/98/58/410169858.db2.gz AAAWYRCNEKGVKS-NSHDSACASA-N 2 0 225.336 0.374 20 0 BCADRP CC[NH+](CC)CC(=O)NCCC1(C[NH3+])CC1 ZINC000653221190 410169911 /nfs/dbraw/zinc/16/99/11/410169911.db2.gz LXBJXOCTCLZDND-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653220570 410169952 /nfs/dbraw/zinc/16/99/52/410169952.db2.gz NBQRMEBUISFCDV-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NCCC1(C[NH3+])CC1 ZINC000653221013 410170106 /nfs/dbraw/zinc/17/01/06/410170106.db2.gz DBRWIPCZLWWWLH-UHFFFAOYSA-N 2 0 234.303 0.353 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)C2([NH3+])CC2)c(F)c1 ZINC000653225733 410173252 /nfs/dbraw/zinc/17/32/52/410173252.db2.gz BLKRARBGSQBXAN-UHFFFAOYSA-N 2 0 237.278 0.392 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC[NH2+]1 ZINC000655414694 410218888 /nfs/dbraw/zinc/21/88/88/410218888.db2.gz CESPTWXAKBYCSG-NTZNESFSSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000653240175 410181455 /nfs/dbraw/zinc/18/14/55/410181455.db2.gz KYCLHHFOZZQWKK-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000653239985 410181476 /nfs/dbraw/zinc/18/14/76/410181476.db2.gz IFCPNPUHGLQACH-MXWKQRLJSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+])[NH+](C)C ZINC000653240278 410182108 /nfs/dbraw/zinc/18/21/08/410182108.db2.gz MBBWBWIXSZAGKF-SRVKXCTJSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)[C@H]1CC[NH3+] ZINC000653241229 410183217 /nfs/dbraw/zinc/18/32/17/410183217.db2.gz YTSOCHROQDPQII-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccnc(C[NH3+])c1 ZINC000565596731 322925908 /nfs/dbraw/zinc/92/59/08/322925908.db2.gz KOLBENZTDNUGDE-CABZTGNLSA-N 2 0 248.330 0.411 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000655414043 410219487 /nfs/dbraw/zinc/21/94/87/410219487.db2.gz DYHMFKVXJNOYRS-SNVBAGLBSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655415558 410219566 /nfs/dbraw/zinc/21/95/66/410219566.db2.gz WZAUKADPTNBRKS-NTZNESFSSA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+]CCC1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000653257378 410239420 /nfs/dbraw/zinc/23/94/20/410239420.db2.gz VLQAKZIYOXCUEN-UHFFFAOYSA-N 2 0 239.363 0.845 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C[C@@H](C)[NH3+] ZINC000309100699 410243430 /nfs/dbraw/zinc/24/34/30/410243430.db2.gz FOKXPCZEDHKDPX-MRVPVSSYSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655450477 410272347 /nfs/dbraw/zinc/27/23/47/410272347.db2.gz PRUDXTZYQCTKPH-JFGNBEQYSA-N 2 0 225.336 0.087 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655417647 410224201 /nfs/dbraw/zinc/22/42/01/410224201.db2.gz OSBWCHVORODFLJ-JOYOIKCWSA-N 2 0 225.336 0.230 20 0 BCADRP CCO[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000650713947 410345198 /nfs/dbraw/zinc/34/51/98/410345198.db2.gz KONISXRSJUCRLH-UPJWGTAASA-N 2 0 241.379 0.282 20 0 BCADRP CCO[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000650713946 410345313 /nfs/dbraw/zinc/34/53/13/410345313.db2.gz KONISXRSJUCRLH-JHJVBQTASA-N 2 0 241.379 0.282 20 0 BCADRP [NH3+]CCC[NH2+][C@H]1CNc2ccccc2C1 ZINC000650715169 410351808 /nfs/dbraw/zinc/35/18/08/410351808.db2.gz SJUBIRHHLFDMGP-LLVKDONJSA-N 2 0 205.305 0.962 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)NCCC1CC[NH2+]CC1 ZINC000653266966 410308726 /nfs/dbraw/zinc/30/87/26/410308726.db2.gz IMKZDUOFSVANAE-GFCCVEGCSA-N 2 0 239.363 0.634 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000650743181 410380482 /nfs/dbraw/zinc/38/04/82/410380482.db2.gz NVSWEPLSVASOCC-OOCWMUITSA-N 2 0 237.347 0.228 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650748103 410388257 /nfs/dbraw/zinc/38/82/57/410388257.db2.gz MZVXVJNVJCDSPJ-QWRGUYRKSA-N 3 0 211.353 0.832 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761729 410409615 /nfs/dbraw/zinc/40/96/15/410409615.db2.gz IQGAYQZLOFWUIV-YPMHNXCESA-N 2 0 225.380 0.964 20 0 BCADRP C[C@@H]1CCNC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761727 410410147 /nfs/dbraw/zinc/41/01/47/410410147.db2.gz IQGAYQZLOFWUIV-DGCLKSJQSA-N 2 0 225.380 0.964 20 0 BCADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)C1C[NH2+]C1 ZINC000650761528 410410301 /nfs/dbraw/zinc/41/03/01/410410301.db2.gz BIKIBQTZVNRYPN-JTQLQIEISA-N 3 0 211.353 0.574 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000655456230 410507377 /nfs/dbraw/zinc/50/73/77/410507377.db2.gz BBQUMGABIKOPFZ-VIFPVBQESA-N 2 0 233.315 0.514 20 0 BCADRP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000655460150 410570568 /nfs/dbraw/zinc/57/05/68/410570568.db2.gz WMRPGBPAPZPYPO-KZVDOYCCSA-N 2 0 249.358 0.054 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655460750 410574761 /nfs/dbraw/zinc/57/47/61/410574761.db2.gz ALCDBWCUXFDLDD-ZYHUDNBSSA-N 2 0 225.336 0.054 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCC1CC[NH2+]CC1 ZINC000653272667 410540737 /nfs/dbraw/zinc/54/07/37/410540737.db2.gz YHYVPDWOIZPEPW-NXEZZACHSA-N 2 0 227.352 0.476 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000655465849 410666160 /nfs/dbraw/zinc/66/61/60/410666160.db2.gz PMEDLRWJLKXUIG-GXSJLCMTSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655466122 410666513 /nfs/dbraw/zinc/66/65/13/410666513.db2.gz LQZANYBZRIFANV-UMNHJUIQSA-N 2 0 225.336 0.230 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000236837226 169764147 /nfs/dbraw/zinc/76/41/47/169764147.db2.gz PUYAQRRVSNPHGQ-VIFPVBQESA-N 2 0 201.314 0.134 20 0 BCADRP O=C(CC[NH2+]C1CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000655463700 410646804 /nfs/dbraw/zinc/64/68/04/410646804.db2.gz UQRJBLWCPGCNTQ-NSHDSACASA-N 2 0 237.347 0.387 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@H]1CCC[NH2+]C1 ZINC000309268612 410690670 /nfs/dbraw/zinc/69/06/70/410690670.db2.gz KFQMKGJOZHYNPK-VIFPVBQESA-N 2 0 213.325 0.372 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCC(C)([NH3+])CC1 ZINC000309266039 410692242 /nfs/dbraw/zinc/69/22/42/410692242.db2.gz JMMVMTDMBXQODH-VIFPVBQESA-N 2 0 213.325 0.310 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000236843059 169768148 /nfs/dbraw/zinc/76/81/48/169768148.db2.gz IOGLUQNORGYFMR-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP COC[C@@H](C)C[N@H+](C)CCOCC[NH3+] ZINC000308507504 410719144 /nfs/dbraw/zinc/71/91/44/410719144.db2.gz JJFWIWVZKVLEHY-JTQLQIEISA-N 2 0 204.314 0.176 20 0 BCADRP COC[C@@H](CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1)OC ZINC000665234367 410723898 /nfs/dbraw/zinc/72/38/98/410723898.db2.gz BUYUPWBAHJVMMI-IJLUTSLNSA-N 2 0 230.352 0.768 20 0 BCADRP COC[C@H](CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)OC ZINC000665234370 410724106 /nfs/dbraw/zinc/72/41/06/410724106.db2.gz BUYUPWBAHJVMMI-SRVKXCTJSA-N 2 0 230.352 0.768 20 0 BCADRP COC[C@H](CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)OC ZINC000665234373 410724711 /nfs/dbraw/zinc/72/47/11/410724711.db2.gz BUYUPWBAHJVMMI-WOPDTQHZSA-N 2 0 230.352 0.768 20 0 BCADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])[C@@H]1CCOC1 ZINC000665234971 410727366 /nfs/dbraw/zinc/72/73/66/410727366.db2.gz NEBFCJPPFLRQHD-UMSGYPCISA-N 2 0 242.363 0.755 20 0 BCADRP CC[C@@H](O)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000665262105 410733559 /nfs/dbraw/zinc/73/35/59/410733559.db2.gz UJIQVJNPPIRHIH-CHWFTXMASA-N 2 0 216.325 0.099 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665280248 410755544 /nfs/dbraw/zinc/75/55/44/410755544.db2.gz WRBAENYPGHTILJ-VOBJUBJWSA-N 2 0 209.337 0.326 20 0 BCADRP CC(C)[C@H]([NH3+])CCN[C@H]1C[N@H+](C)C[C@H]1C ZINC000665280682 410757429 /nfs/dbraw/zinc/75/74/29/410757429.db2.gz IZNGVUVYHKCFID-UTUOFQBUSA-N 2 0 213.369 0.900 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489143 410794543 /nfs/dbraw/zinc/79/45/43/410794543.db2.gz MQHYFNUYPQPLIV-AXFHLTTASA-N 2 0 227.352 0.426 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2c[nH+]ccc2N)C1 ZINC000655489683 410798438 /nfs/dbraw/zinc/79/84/38/410798438.db2.gz ZEUJLZYIGLMUSR-AOOOYVTPSA-N 2 0 248.330 0.564 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655488852 410800723 /nfs/dbraw/zinc/80/07/23/410800723.db2.gz HQLYZGHKEAFIQV-PHIMTYICSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655488856 410801251 /nfs/dbraw/zinc/80/12/51/410801251.db2.gz HQSLLAFUWNLJPD-KXUCPTDWSA-N 2 0 213.325 0.180 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H]([NH3+])C(C)C ZINC000019428904 169773640 /nfs/dbraw/zinc/77/36/40/169773640.db2.gz XLJMMHPVGNRSAV-LLVKDONJSA-N 2 0 229.368 0.818 20 0 BCADRP C[NH2+]C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000665296008 410802270 /nfs/dbraw/zinc/80/22/70/410802270.db2.gz LOPVFVJKXHEIOW-QJPTWQEYSA-N 2 0 211.353 0.811 20 0 BCADRP C[C@H](NC(=O)CCCC[NH3+])C1CC[NH+](C)CC1 ZINC000396449028 410883549 /nfs/dbraw/zinc/88/35/49/410883549.db2.gz FLCCJPZYDMBODF-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)CNC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514372 166995211 /nfs/dbraw/zinc/99/52/11/166995211.db2.gz BQGVDJRSSJAWLA-NSHDSACASA-N 2 0 241.379 0.818 20 0 BCADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)CC(=O)N(C)C ZINC000396741190 410895742 /nfs/dbraw/zinc/89/57/42/410895742.db2.gz QJRXPOUXGTZISJ-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP CC(C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037859718 167006753 /nfs/dbraw/zinc/00/67/53/167006753.db2.gz NTWSOJNLVPLKIM-LLVKDONJSA-N 2 0 200.326 0.689 20 0 BCADRP CC(C)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000334997838 167054195 /nfs/dbraw/zinc/05/41/95/167054195.db2.gz FZYNKQNBDASTFZ-TXEJJXNPSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000040673738 167096659 /nfs/dbraw/zinc/09/66/59/167096659.db2.gz BFAGBJIXJLNVNW-JTQLQIEISA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC[N@H+](C)C1CCCC1 ZINC000071378761 167097554 /nfs/dbraw/zinc/09/75/54/167097554.db2.gz HALPUBVATXZPME-UHFFFAOYSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000040673737 167098138 /nfs/dbraw/zinc/09/81/38/167098138.db2.gz BFAGBJIXJLNVNW-SNVBAGLBSA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)OC[C@H](C)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000336735641 167265676 /nfs/dbraw/zinc/26/56/76/167265676.db2.gz IGIUQLLYBXJURL-RYUDHWBXSA-N 2 0 230.352 0.456 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C(C)(C)C[NH3+] ZINC000045708838 169786636 /nfs/dbraw/zinc/78/66/36/169786636.db2.gz FFSVAWNKWZFGFK-JTQLQIEISA-N 2 0 229.368 0.818 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C[NH+](C)C ZINC000340265850 169786843 /nfs/dbraw/zinc/78/68/43/169786843.db2.gz HRTNXYVJDFVUNB-JTQLQIEISA-N 2 0 215.341 0.395 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000129906850 167342894 /nfs/dbraw/zinc/34/28/94/167342894.db2.gz LRLMLMCMLWTKSD-RYUDHWBXSA-N 2 0 241.379 0.688 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000376387296 167344422 /nfs/dbraw/zinc/34/44/22/167344422.db2.gz PVNDSYHQHFXGMO-RYUDHWBXSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[C@@H](C)[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298649 167369632 /nfs/dbraw/zinc/36/96/32/167369632.db2.gz RQEXRGACHBXIFG-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)[C@@H](C)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000308512111 167381712 /nfs/dbraw/zinc/38/17/12/167381712.db2.gz LJICAFWXPROJDH-GHMZBOCLSA-N 2 0 200.326 0.687 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000044806563 167396387 /nfs/dbraw/zinc/39/63/87/167396387.db2.gz NVCBWYARHVFBFN-GHMZBOCLSA-N 2 0 229.368 0.674 20 0 BCADRP CC[C@H]1CN(C(=O)C(C)(C)[NH3+])CC[C@@H]1[NH3+] ZINC000309382809 410929508 /nfs/dbraw/zinc/92/95/08/410929508.db2.gz DNMIBPWVBBIHMA-IUCAKERBSA-N 2 0 213.325 0.310 20 0 BCADRP CC[N@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCOC1 ZINC000309646773 410971954 /nfs/dbraw/zinc/97/19/54/410971954.db2.gz QRYQIQLJVCXZHQ-RYUDHWBXSA-N 2 0 212.337 0.954 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000398989299 411006457 /nfs/dbraw/zinc/00/64/57/411006457.db2.gz JHAQOOQHIFGQFE-GHMZBOCLSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH3+] ZINC000368115781 167512289 /nfs/dbraw/zinc/51/22/89/167512289.db2.gz QQSYPDJNKWCHBJ-NXEZZACHSA-N 2 0 213.325 0.086 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000398989301 411007208 /nfs/dbraw/zinc/00/72/08/411007208.db2.gz JHAQOOQHIFGQFE-QWRGUYRKSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]CC1CCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000309454002 410944731 /nfs/dbraw/zinc/94/47/31/410944731.db2.gz NDYKPZUHSIMFSD-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661623331 411077926 /nfs/dbraw/zinc/07/79/26/411077926.db2.gz ZMKMYSIGPSKWHS-UTUOFQBUSA-N 2 0 244.379 0.248 20 0 BCADRP OC[C@H](CCF)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000652025228 411080347 /nfs/dbraw/zinc/08/03/47/411080347.db2.gz WTEHPTSLSAXHIF-WOPDTQHZSA-N 2 0 230.327 0.923 20 0 BCADRP CN(CCC[NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655971238 411165011 /nfs/dbraw/zinc/16/50/11/411165011.db2.gz XUOGREULADRAEY-PHIMTYICSA-N 2 0 242.367 0.317 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000044763180 411139832 /nfs/dbraw/zinc/13/98/32/411139832.db2.gz MVKSXMILHJRHNR-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH3+])CC[N@@H+]1C ZINC000647709833 411146693 /nfs/dbraw/zinc/14/66/93/411146693.db2.gz QOKUZHYTTKTRNP-IJLUTSLNSA-N 2 0 239.363 0.666 20 0 BCADRP COCC[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400936000 411163824 /nfs/dbraw/zinc/16/38/24/411163824.db2.gz ASVFNWMMANXEBR-UMSGYPCISA-N 2 0 242.363 0.362 20 0 BCADRP CC(C)C[N@H+](C)CCCNCc1cn(C)nn1 ZINC000651866168 411147687 /nfs/dbraw/zinc/14/76/87/411147687.db2.gz XLKKCOOMLKNYHA-UHFFFAOYSA-N 2 0 239.367 0.883 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659550953 411155179 /nfs/dbraw/zinc/15/51/79/411155179.db2.gz SMQQANJKQQUTOG-IVZWLZJFSA-N 2 0 246.330 0.195 20 0 BCADRP CN(CCc1noc2ccccc21)C[C@@H](O)C[NH3+] ZINC000655941102 411160477 /nfs/dbraw/zinc/16/04/77/411160477.db2.gz MEJVMVUPPWNAGZ-JTQLQIEISA-N 2 0 249.314 0.622 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC1=CC[NH2+]CC1 ZINC000309375030 411113887 /nfs/dbraw/zinc/11/38/87/411113887.db2.gz CNFKGFNUYSXOJL-VIFPVBQESA-N 2 0 211.309 0.150 20 0 BCADRP C[C@H](C[NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000309387446 411120869 /nfs/dbraw/zinc/12/08/69/411120869.db2.gz FFTFHKXNBFDYBL-MRVPVSSYSA-N 2 0 207.277 0.679 20 0 BCADRP CC[C@@H]1CN(C(=O)C(C)(C)[NH3+])CC[C@H]1[NH3+] ZINC000309382811 411120962 /nfs/dbraw/zinc/12/09/62/411120962.db2.gz DNMIBPWVBBIHMA-RKDXNWHRSA-N 2 0 213.325 0.310 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000309399762 411162538 /nfs/dbraw/zinc/16/25/38/411162538.db2.gz HEJFREQJIHBRDP-KXUCPTDWSA-N 2 0 213.325 0.165 20 0 BCADRP C[NH+](C)CC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000401340214 411168179 /nfs/dbraw/zinc/16/81/79/411168179.db2.gz BBKYVVPICIBOEN-JTQLQIEISA-N 2 0 225.336 0.339 20 0 BCADRP Cn1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000400997634 411168260 /nfs/dbraw/zinc/16/82/60/411168260.db2.gz ACOSNYOKAYAEOG-SGMGOOAPSA-N 2 0 248.374 0.940 20 0 BCADRP CC(C)([NH3+])CNC(=O)NCCC1CC[NH2+]CC1 ZINC000652208556 411169907 /nfs/dbraw/zinc/16/99/07/411169907.db2.gz ICMXITPCUJGSOM-UHFFFAOYSA-N 2 0 242.367 0.413 20 0 BCADRP [NH3+]CC1(CCNC(=O)NCC2([NH3+])CCC2)CC1 ZINC000652212553 411171756 /nfs/dbraw/zinc/17/17/56/411171756.db2.gz FKOAFJNPUCDABA-UHFFFAOYSA-N 2 0 240.351 0.296 20 0 BCADRP CC(=O)NCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401035111 411173737 /nfs/dbraw/zinc/17/37/37/411173737.db2.gz RDEOKKNNPZLOLC-FRRDWIJNSA-N 2 0 239.363 0.490 20 0 BCADRP CO[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401055983 411174081 /nfs/dbraw/zinc/17/40/81/411174081.db2.gz VRHPJVWSOSQCPG-DDHJBXDOSA-N 2 0 212.337 0.999 20 0 BCADRP CCn1cnnc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401051844 411174413 /nfs/dbraw/zinc/17/44/13/411174413.db2.gz YRUFAFSMLURZDM-IJLUTSLNSA-N 2 0 249.362 0.776 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000061645005 411174851 /nfs/dbraw/zinc/17/48/51/411174851.db2.gz WGUFBZFUDPGQMW-GHMZBOCLSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@@H](Cn1cncn1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000657940753 411175100 /nfs/dbraw/zinc/17/51/00/411175100.db2.gz MQAJGLTVPSPSFR-NSHDSACASA-N 2 0 235.335 0.518 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)NCCC1(C[NH3+])CC1 ZINC000652221529 411175948 /nfs/dbraw/zinc/17/59/48/411175948.db2.gz XSOOMWPKHZJCLJ-JTQLQIEISA-N 2 0 242.367 0.542 20 0 BCADRP c1n[nH]cc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401080196 411176494 /nfs/dbraw/zinc/17/64/94/411176494.db2.gz ODJOAECADRXSFC-FRRDWIJNSA-N 2 0 234.347 0.930 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652231875 411176635 /nfs/dbraw/zinc/17/66/35/411176635.db2.gz JBFAENRLFPQKQW-SNVBAGLBSA-N 2 0 240.351 0.248 20 0 BCADRP C[C@H](CO)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401165893 411179176 /nfs/dbraw/zinc/17/91/76/411179176.db2.gz VDQPSEOYFAMMQZ-WHOHXGKFSA-N 2 0 212.337 0.593 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000658093492 411243647 /nfs/dbraw/zinc/24/36/47/411243647.db2.gz VDBSZGURZFXAPC-UWVGGRQHSA-N 2 0 227.352 0.713 20 0 BCADRP [NH3+]CCCCC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655516763 411186735 /nfs/dbraw/zinc/18/67/35/411186735.db2.gz YITFHVASJDKAGR-LURJTMIESA-N 2 0 227.230 0.121 20 0 BCADRP CCOC[C@@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656152940 411188566 /nfs/dbraw/zinc/18/85/66/411188566.db2.gz CDWSGALDKSHGNC-TUAOUCFPSA-N 2 0 230.352 0.314 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000657986214 411190373 /nfs/dbraw/zinc/19/03/73/411190373.db2.gz CZYCYOLXLUEHEJ-GFCCVEGCSA-N 2 0 242.363 0.866 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[NH+](C)C ZINC000653833912 411196489 /nfs/dbraw/zinc/19/64/89/411196489.db2.gz RXBIOPUIJKVPPN-GARJFASQSA-N 2 0 225.336 0.099 20 0 BCADRP [NH3+]CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)C(F)F ZINC000656192986 411198226 /nfs/dbraw/zinc/19/82/26/411198226.db2.gz DIUNLDYRNFDLRE-HLTSFMKQSA-N 2 0 221.295 0.828 20 0 BCADRP [NH3+]CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)C(F)F ZINC000656192987 411198416 /nfs/dbraw/zinc/19/84/16/411198416.db2.gz DIUNLDYRNFDLRE-VGMNWLOBSA-N 2 0 221.295 0.828 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000656192681 411198537 /nfs/dbraw/zinc/19/85/37/411198537.db2.gz SUICMGKFTOFMRM-USZNOCQGSA-N 2 0 211.353 0.973 20 0 BCADRP C[C@@H]1C[C@@H](CN[C@@H](C[NH3+])C(F)(F)F)CC[NH2+]1 ZINC000656193960 411200024 /nfs/dbraw/zinc/20/00/24/411200024.db2.gz AAKQNEAJUSSYNB-VGMNWLOBSA-N 2 0 239.285 0.854 20 0 BCADRP Cn1nnc2c1CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C2 ZINC000656193295 411200821 /nfs/dbraw/zinc/20/08/21/411200821.db2.gz FFPVIWYPLLDEHT-MXWKQRLJSA-N 2 0 249.362 0.532 20 0 BCADRP CCn1cnnc1CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656197417 411202644 /nfs/dbraw/zinc/20/26/44/411202644.db2.gz HXKMSIRRBLCVCM-QWRGUYRKSA-N 2 0 237.351 0.700 20 0 BCADRP C[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)S(C)(=O)=O ZINC000656198183 411202887 /nfs/dbraw/zinc/20/28/87/411202887.db2.gz JVIUEIRFUXCARX-UTLUCORTSA-N 2 0 234.365 0.279 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC000656197805 411202994 /nfs/dbraw/zinc/20/29/94/411202994.db2.gz MIULRGYAOCHBGL-CMPLNLGQSA-N 2 0 239.363 0.905 20 0 BCADRP CC(C)N1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000656197828 411203043 /nfs/dbraw/zinc/20/30/43/411203043.db2.gz MUKUCSGUYDTGTO-IJLUTSLNSA-N 2 0 239.363 0.855 20 0 BCADRP C[NH2+]C[C@](C)(O)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000652338641 411203939 /nfs/dbraw/zinc/20/39/39/411203939.db2.gz KFPSGHXJWYKFME-OLZOCXBDSA-N 2 0 243.395 0.230 20 0 BCADRP CCO[C@@H]1CCC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000652337234 411204470 /nfs/dbraw/zinc/20/44/70/411204470.db2.gz XIBLINHYYBRCLO-VXGBXAGGSA-N 2 0 230.352 0.458 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC(C)(C)OC ZINC000652338552 411204690 /nfs/dbraw/zinc/20/46/90/411204690.db2.gz WCFXQKXCWCYNSC-LLVKDONJSA-N 2 0 218.341 0.314 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000652341126 411206057 /nfs/dbraw/zinc/20/60/57/411206057.db2.gz ICSKUAQXHRNRNN-QWHCGFSZSA-N 2 0 241.379 0.032 20 0 BCADRP C[C@@H](CO)C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000652358562 411213020 /nfs/dbraw/zinc/21/30/20/411213020.db2.gz RVVFQCAFQOYXRV-RYUDHWBXSA-N 2 0 226.364 0.936 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000659293737 411214485 /nfs/dbraw/zinc/21/44/85/411214485.db2.gz GZCCBNUVWLEXCG-WDEREUQCSA-N 2 0 227.352 0.489 20 0 BCADRP CCO[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000652356076 411215551 /nfs/dbraw/zinc/21/55/51/411215551.db2.gz RKFZXDLGNZEMEA-YNEHKIRRSA-N 3 0 241.379 0.282 20 0 BCADRP [NH3+]CCC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000652358745 411216309 /nfs/dbraw/zinc/21/63/09/411216309.db2.gz RSGPEJLPRHSUKD-LBPRGKRZSA-N 3 0 211.353 0.657 20 0 BCADRP Cn1ccc(C[NH+]2CCC(CC[NH3+])CC2)cc1=O ZINC000652359472 411216357 /nfs/dbraw/zinc/21/63/57/411216357.db2.gz AWLNRPJPUKTPEN-UHFFFAOYSA-N 2 0 249.358 0.946 20 0 BCADRP Nc1ncc(C[NH2+]CC[C@@H]2CC[NH2+]C2)s1 ZINC000571800499 411217080 /nfs/dbraw/zinc/21/70/80/411217080.db2.gz AVESSWDWRMXTGB-QMMMGPOBSA-N 2 0 226.349 0.815 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(CO)OC)[C@@H](C)C1 ZINC000655787467 411235840 /nfs/dbraw/zinc/23/58/40/411235840.db2.gz WEKLEHODSRCPKP-RWMBFGLXSA-N 2 0 244.379 0.704 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(CO)OC)[C@@H](C)C1 ZINC000655787465 411236120 /nfs/dbraw/zinc/23/61/20/411236120.db2.gz WEKLEHODSRCPKP-AVGNSLFASA-N 2 0 244.379 0.704 20 0 BCADRP C[C@@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000652418157 411237315 /nfs/dbraw/zinc/23/73/15/411237315.db2.gz UUVXFTNUNBCZME-QWRGUYRKSA-N 2 0 242.367 0.330 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2 ZINC000310446356 411238262 /nfs/dbraw/zinc/23/82/62/411238262.db2.gz UKOYRFUTUCZIFR-RYUDHWBXSA-N 2 0 235.335 0.339 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CCC([NH+](C)C)CC1 ZINC000310477352 411238451 /nfs/dbraw/zinc/23/84/51/411238451.db2.gz CBOLPLWELUXRSP-CYBMUJFWSA-N 2 0 243.395 0.325 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000659296336 411238796 /nfs/dbraw/zinc/23/87/96/411238796.db2.gz XTEWUKMTFKOOOM-SNVBAGLBSA-N 2 0 213.325 0.243 20 0 BCADRP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)NC ZINC000396730594 411240651 /nfs/dbraw/zinc/24/06/51/411240651.db2.gz DNYMCBXLRSWARC-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000309409477 411241666 /nfs/dbraw/zinc/24/16/66/411241666.db2.gz IKJYCTXVZFAWPR-UTLUCORTSA-N 2 0 213.325 0.226 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400940702 411165483 /nfs/dbraw/zinc/16/54/83/411165483.db2.gz LQCRMSINTIMPRK-IRCOFANPSA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400968062 411166674 /nfs/dbraw/zinc/16/66/74/411166674.db2.gz CPQNUEDJHSQNSO-WRWGMCAJSA-N 2 0 212.337 0.735 20 0 BCADRP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(N)=O ZINC000400966993 411166688 /nfs/dbraw/zinc/16/66/88/411166688.db2.gz KYHZEDYNQYGZSF-GARJFASQSA-N 2 0 239.363 0.476 20 0 BCADRP COCCOCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400953550 411166756 /nfs/dbraw/zinc/16/67/56/411166756.db2.gz IJQRXKIHEUNENZ-FRRDWIJNSA-N 2 0 242.363 0.627 20 0 BCADRP OCCOCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400986739 411167344 /nfs/dbraw/zinc/16/73/44/411167344.db2.gz ZICOLFQLABAIQD-RWMBFGLXSA-N 2 0 242.363 0.363 20 0 BCADRP COC[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)OC ZINC000400983958 411167478 /nfs/dbraw/zinc/16/74/78/411167478.db2.gz XFTPZLLSPVHMCU-RVMXOQNASA-N 2 0 242.363 0.626 20 0 BCADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(=O)N(C)C ZINC000400989059 411167792 /nfs/dbraw/zinc/16/77/92/411167792.db2.gz XAAMZCPETFBCOL-NNYUYHANSA-N 2 0 239.363 0.441 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C/C=C\CO)[C@H](C)C1 ZINC000658135611 411261267 /nfs/dbraw/zinc/26/12/67/411261267.db2.gz UHAWPVWOXSSODP-JYYSYOFASA-N 2 0 212.337 0.855 20 0 BCADRP c1c(C[C@@H]2CCC[NH2+]C2)nnn1C1CC[NH2+]CC1 ZINC000656456579 411265495 /nfs/dbraw/zinc/26/54/95/411265495.db2.gz DRHXNBLJPNACQZ-NSHDSACASA-N 2 0 249.362 0.745 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@H](C)C[NH2+]C ZINC000659641227 411275578 /nfs/dbraw/zinc/27/55/78/411275578.db2.gz FHDXLIVBUBHCBJ-MNOVXSKESA-N 2 0 242.367 0.378 20 0 BCADRP [NH3+]C1(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000649319155 411279041 /nfs/dbraw/zinc/27/90/41/411279041.db2.gz LBLSBQKMHPFLSV-UHFFFAOYSA-N 2 0 243.270 0.697 20 0 BCADRP CC(C)(C)[C@H]([NH3+])c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000656467456 411279154 /nfs/dbraw/zinc/27/91/54/411279154.db2.gz CIPBROPWDWPTIC-PSASIEDQSA-N 2 0 223.324 0.858 20 0 BCADRP C[NH2+]C(C)(C)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656467674 411279861 /nfs/dbraw/zinc/27/98/61/411279861.db2.gz QNHPCVXEXWLTLD-SECBINFHSA-N 2 0 223.324 0.657 20 0 BCADRP COCC[NH+](CCOC)C[C@H]1CC[NH2+]C1 ZINC000051889599 411285470 /nfs/dbraw/zinc/28/54/70/411285470.db2.gz JXDUNHYXCITJBX-NSHDSACASA-N 2 0 216.325 0.191 20 0 BCADRP COCC[NH+](CCOC)C[C@@H]1CC[NH2+]C1 ZINC000051889597 411285970 /nfs/dbraw/zinc/28/59/70/411285970.db2.gz JXDUNHYXCITJBX-LLVKDONJSA-N 2 0 216.325 0.191 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC(C)([NH3+])CC1 ZINC000659643261 411292321 /nfs/dbraw/zinc/29/23/21/411292321.db2.gz PQAWWNXIEYXPNA-SECBINFHSA-N 2 0 228.340 0.117 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000659643822 411294864 /nfs/dbraw/zinc/29/48/64/411294864.db2.gz UOILPPJAWRNJHG-DCAQKATOSA-N 2 0 242.367 0.363 20 0 BCADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000309853161 411296325 /nfs/dbraw/zinc/29/63/25/411296325.db2.gz ZBDFLNFKPUIZTL-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000659644112 411296413 /nfs/dbraw/zinc/29/64/13/411296413.db2.gz VVJOIGBJTGZYHU-DCAQKATOSA-N 2 0 242.367 0.221 20 0 BCADRP [NH3+]CCn1cc(CC[NH+]2CCCCC2)nn1 ZINC000656432946 411249413 /nfs/dbraw/zinc/24/94/13/411249413.db2.gz DVHQPBUQGQINBS-UHFFFAOYSA-N 2 0 223.324 0.265 20 0 BCADRP C[C@@H]1CN(C(=O)CC(C)(C)[NH3+])CC[C@H]1[NH3+] ZINC000309806969 411252655 /nfs/dbraw/zinc/25/26/55/411252655.db2.gz SKMSMRZEXJEMOA-RKDXNWHRSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@H]1CN(C(=O)CC(C)(C)[NH3+])CC[C@@H]1[NH3+] ZINC000309806968 411252703 /nfs/dbraw/zinc/25/27/03/411252703.db2.gz SKMSMRZEXJEMOA-IUCAKERBSA-N 2 0 213.325 0.310 20 0 BCADRP CCc1nccn1Cc1cn(CCCC[NH3+])nn1 ZINC000656439230 411256691 /nfs/dbraw/zinc/25/66/91/411256691.db2.gz OVYZPZAGBVHQAU-UHFFFAOYSA-N 2 0 248.334 0.824 20 0 BCADRP [NH3+]CCCCn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000656439933 411257258 /nfs/dbraw/zinc/25/72/58/411257258.db2.gz ZNFNKPCXCYERQT-SNVBAGLBSA-N 2 0 223.324 0.484 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C/C=C/CO)[C@H](C)C1 ZINC000658135612 411261190 /nfs/dbraw/zinc/26/11/90/411261190.db2.gz UHAWPVWOXSSODP-RVAOTSRCSA-N 2 0 212.337 0.855 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000659325538 411352783 /nfs/dbraw/zinc/35/27/83/411352783.db2.gz UUUWFAHKVKYFJB-NEPJUHHUSA-N 2 0 241.379 0.783 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)OC ZINC000660616470 411355330 /nfs/dbraw/zinc/35/53/30/411355330.db2.gz LOGFAQXVXXSOFM-STQMWFEESA-N 2 0 242.363 0.675 20 0 BCADRP C[N@H+](CCCCCF)CCN1CC[NH2+]CC1 ZINC000304454749 411365515 /nfs/dbraw/zinc/36/55/15/411365515.db2.gz YLZWXWFLOKGVKP-UHFFFAOYSA-N 2 0 231.359 0.963 20 0 BCADRP c1cn(C[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)nn1 ZINC000656786847 411366522 /nfs/dbraw/zinc/36/65/22/411366522.db2.gz BGNLKSPPRADHQK-CYBMUJFWSA-N 2 0 249.362 0.600 20 0 BCADRP C[N@@H+](C[C@@H]1COCCO1)C[C@H]1CCC[NH2+]C1 ZINC000656791350 411370096 /nfs/dbraw/zinc/37/00/96/411370096.db2.gz ZHEPGLWVRUUHJB-NWDGAFQWSA-N 2 0 228.336 0.333 20 0 BCADRP C[C@]12COC[C@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000656791685 411370491 /nfs/dbraw/zinc/37/04/91/411370491.db2.gz IYGGKPWJSGSTBD-OLZOCXBDSA-N 2 0 224.348 0.954 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH2+]CCc1ccoc1 ZINC000656715184 411337977 /nfs/dbraw/zinc/33/79/77/411337977.db2.gz ZGZNJHGHJLJCQA-LBPRGKRZSA-N 2 0 226.320 0.724 20 0 BCADRP CN1CCN(C[C@@]2(C)CC[NH2+]C2)CCC1=O ZINC000656792672 411372217 /nfs/dbraw/zinc/37/22/17/411372217.db2.gz VLSKUNIXVGEZGC-LBPRGKRZSA-N 2 0 225.336 0.150 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@H]1CCCCC[NH2+]1)C1CC1 ZINC000372906473 411340295 /nfs/dbraw/zinc/34/02/95/411340295.db2.gz OLOJTWXFHZXNBV-WDEREUQCSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000659318713 411344146 /nfs/dbraw/zinc/34/41/46/411344146.db2.gz GPDDFQPFDJLZFA-SECBINFHSA-N 2 0 213.325 0.241 20 0 BCADRP CCC[NH2+]CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000130963912 411374797 /nfs/dbraw/zinc/37/47/97/411374797.db2.gz UGCYUSHAFXJKHL-SNVBAGLBSA-N 2 0 213.325 0.102 20 0 BCADRP CC1CCN(C(=O)CN2CC[C@@H](C[NH3+])C2)CC1 ZINC000050247218 168172819 /nfs/dbraw/zinc/17/28/19/168172819.db2.gz RDHDRGHHWUHAQK-LBPRGKRZSA-N 2 0 239.363 0.526 20 0 BCADRP CC1CC[NH+](CCNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000062115884 168180590 /nfs/dbraw/zinc/18/05/90/168180590.db2.gz QVUMLDLBTMOAPE-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]1CCC[N@H+](CCC(=O)N(C)C)[C@@H]1CC[NH3+] ZINC000404287052 411388852 /nfs/dbraw/zinc/38/88/52/411388852.db2.gz INJNLMXMRQCMAQ-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP CNC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404299753 411390139 /nfs/dbraw/zinc/39/01/39/411390139.db2.gz FQDBWCQZGCUONP-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CC[C@]2(O)CCOC2)CC[N@@H+]1C ZINC000404219862 411384410 /nfs/dbraw/zinc/38/44/10/411384410.db2.gz KDWAZMDGBJNPQR-UPJWGTAASA-N 2 0 242.363 0.600 20 0 BCADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC([NH+](C)C)C1 ZINC000357558980 168301639 /nfs/dbraw/zinc/30/16/39/168301639.db2.gz AKNUNXIQQSZTEJ-SNVBAGLBSA-N 2 0 241.379 0.926 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000638196744 411457487 /nfs/dbraw/zinc/45/74/87/411457487.db2.gz AUDPDYRQZIWBOF-HBNTYKKESA-N 2 0 223.320 0.420 20 0 BCADRP C[NH+]1CCC(NC(=O)CCC(C)(C)[NH3+])CC1 ZINC000069633579 411458219 /nfs/dbraw/zinc/45/82/19/411458219.db2.gz KCYIOUJKQJPUFG-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000653044364 411401713 /nfs/dbraw/zinc/40/17/13/411401713.db2.gz ABNSMTUPAHNIEM-QWRGUYRKSA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653046270 411402375 /nfs/dbraw/zinc/40/23/75/411402375.db2.gz RBPYWTPGOZUTOH-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP CC[NH2+]CCCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653045410 411402777 /nfs/dbraw/zinc/40/27/77/411402777.db2.gz JVNGQIAAKLEDIZ-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653044843 411403138 /nfs/dbraw/zinc/40/31/38/411403138.db2.gz FHVDCSZERWMWCO-MNOVXSKESA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653046612 411403164 /nfs/dbraw/zinc/40/31/64/411403164.db2.gz GZQRVZQRVIUQGI-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653047739 411403678 /nfs/dbraw/zinc/40/36/78/411403678.db2.gz PAKHCHXVJKMWLF-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000653047477 411403739 /nfs/dbraw/zinc/40/37/39/411403739.db2.gz SVVAYIYULJBQCM-MVWJERBFSA-N 2 0 237.347 0.324 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653048279 411404042 /nfs/dbraw/zinc/40/40/42/411404042.db2.gz UEFGIABNGZPLFV-WDEREUQCSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000653047476 411404116 /nfs/dbraw/zinc/40/41/16/411404116.db2.gz SVVAYIYULJBQCM-DLOVCJGASA-N 2 0 237.347 0.324 20 0 BCADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000653049006 411404735 /nfs/dbraw/zinc/40/47/35/411404735.db2.gz MBAKWKWQZRCKLH-NEPJUHHUSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[C@H]1[NH3+] ZINC000653051184 411405028 /nfs/dbraw/zinc/40/50/28/411405028.db2.gz LTRMSRWLTUEMSX-NNYUYHANSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[C@H]1[NH3+] ZINC000653051186 411405124 /nfs/dbraw/zinc/40/51/24/411405124.db2.gz LTRMSRWLTUEMSX-WRWGMCAJSA-N 2 0 239.363 0.700 20 0 BCADRP C[NH2+]CC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659371249 411405276 /nfs/dbraw/zinc/40/52/76/411405276.db2.gz VLGCOCZKHGXSNX-GFCCVEGCSA-N 2 0 249.314 0.505 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653051268 411405556 /nfs/dbraw/zinc/40/55/56/411405556.db2.gz QGRUHGQLBBRDMG-NWDGAFQWSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653052196 411406164 /nfs/dbraw/zinc/40/61/64/411406164.db2.gz XMTYEUAUJANYNK-WOPDTQHZSA-N 2 0 239.363 0.617 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659378652 411406298 /nfs/dbraw/zinc/40/62/98/411406298.db2.gz PKFVEAXFMWPROP-RCWTZXSCSA-N 2 0 227.352 0.556 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653053788 411406435 /nfs/dbraw/zinc/40/64/35/411406435.db2.gz KEJOPAVBCQCUAB-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659388521 411410230 /nfs/dbraw/zinc/41/02/30/411410230.db2.gz JPTKPTJMBSHMNI-LNFKQOIKSA-N 2 0 243.326 0.402 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)C[NH2+]C ZINC000659445668 411412362 /nfs/dbraw/zinc/41/23/62/411412362.db2.gz JLOZHYPXJYNFBX-QWRGUYRKSA-N 2 0 244.383 0.624 20 0 BCADRP CC[NH+]1CCC(NC(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659428100 411413611 /nfs/dbraw/zinc/41/36/11/411413611.db2.gz WZVJGSYMBIIIHF-JTQLQIEISA-N 2 0 242.367 0.378 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000659450664 411415615 /nfs/dbraw/zinc/41/56/15/411415615.db2.gz DJXMSHPRQFLMLI-ZJUUUORDSA-N 2 0 242.367 0.376 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000659485171 411419955 /nfs/dbraw/zinc/41/99/55/411419955.db2.gz BRTAGJAJQSAYQY-SNVBAGLBSA-N 2 0 242.367 0.378 20 0 BCADRP CC[NH2+]CCCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659505802 411423265 /nfs/dbraw/zinc/42/32/65/411423265.db2.gz RACMODDXVISLTI-LLVKDONJSA-N 2 0 244.383 0.659 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN(C)C[C@@H](O)C1CC1 ZINC000653566732 411423922 /nfs/dbraw/zinc/42/39/22/411423922.db2.gz HMGLUCFNGJQXNG-VXGBXAGGSA-N 2 0 230.352 0.002 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659512406 411425166 /nfs/dbraw/zinc/42/51/66/411425166.db2.gz NWYQAMXAZDSRIT-UHFFFAOYSA-N 2 0 244.383 0.753 20 0 BCADRP [NH3+]C1(CNC(=O)N[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000659516278 411426325 /nfs/dbraw/zinc/42/63/25/411426325.db2.gz HQUINWWZVGDTEW-SNVBAGLBSA-N 2 0 240.351 0.309 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659516005 411426465 /nfs/dbraw/zinc/42/64/65/411426465.db2.gz FIJYZXCAROUFJC-SQLBVSGCSA-N 2 0 240.351 0.102 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000659520276 411427204 /nfs/dbraw/zinc/42/72/04/411427204.db2.gz YWVFCXLEHUFDKN-GHMZBOCLSA-N 2 0 242.367 0.396 20 0 BCADRP CCC[NH2+]CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659525411 411428280 /nfs/dbraw/zinc/42/82/80/411428280.db2.gz GAZYDJNLYPDBFW-UHFFFAOYSA-N 2 0 240.351 0.037 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000659526991 411429207 /nfs/dbraw/zinc/42/92/07/411429207.db2.gz GSWMJEWJUZWXHJ-MNOVXSKESA-N 2 0 242.367 0.396 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)NCC1([NH3+])CCCC1 ZINC000659530423 411430449 /nfs/dbraw/zinc/43/04/49/411430449.db2.gz RQLOVYXKFSLUKB-VIFPVBQESA-N 2 0 228.340 0.294 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659538359 411432136 /nfs/dbraw/zinc/43/21/36/411432136.db2.gz LFDJLFPAEHQIRT-SECBINFHSA-N 2 0 230.356 0.363 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH3+])C1 ZINC000659551553 411434482 /nfs/dbraw/zinc/43/44/82/411434482.db2.gz VFRPCCOGCWUXQE-MXWKQRLJSA-N 2 0 242.367 0.506 20 0 BCADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000126929622 411463140 /nfs/dbraw/zinc/46/31/40/411463140.db2.gz UJUAYPFYMUZSNL-UTUOFQBUSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659555201 411435392 /nfs/dbraw/zinc/43/53/92/411435392.db2.gz ZEPPWZAOZCSIEE-BMQDGWLCSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659553712 411435561 /nfs/dbraw/zinc/43/55/61/411435561.db2.gz AYKZWOODUFLGTC-GHHKWEBWSA-N 2 0 240.351 0.245 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659553716 411435566 /nfs/dbraw/zinc/43/55/66/411435566.db2.gz AYKZWOODUFLGTC-XTQFYOIMSA-N 2 0 240.351 0.245 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC1([NH3+])CCCC1 ZINC000659557486 411436183 /nfs/dbraw/zinc/43/61/83/411436183.db2.gz YLSRHEVCGVYZBW-ZJUUUORDSA-N 2 0 242.367 0.683 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](OC)CC1 ZINC000653612977 411439887 /nfs/dbraw/zinc/43/98/87/411439887.db2.gz OWGLBWCESCFOLD-STQMWFEESA-N 2 0 244.379 0.800 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH2+]CC2)C1 ZINC000659609174 411441745 /nfs/dbraw/zinc/44/17/45/411441745.db2.gz IIGMRUJOBVTQPI-LLVKDONJSA-N 2 0 240.351 0.086 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC([NH3+])CC1 ZINC000659619723 411442232 /nfs/dbraw/zinc/44/22/32/411442232.db2.gz SHRJUGUNBVCMOX-LLVKDONJSA-N 2 0 242.367 0.493 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000659507609 411463589 /nfs/dbraw/zinc/46/35/89/411463589.db2.gz KAEKEUZFVVSQRQ-UWVGGRQHSA-N 2 0 228.340 0.036 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000659619993 411443186 /nfs/dbraw/zinc/44/31/86/411443186.db2.gz XKFVIIHFTUSKSU-AXFHLTTASA-N 2 0 242.367 0.491 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637845524 411445072 /nfs/dbraw/zinc/44/50/72/411445072.db2.gz YPBODFCRHRDHAU-GHMZBOCLSA-N 2 0 225.336 0.524 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N(CC[NH+](C)C)C(C)C ZINC000659636447 411445074 /nfs/dbraw/zinc/44/50/74/411445074.db2.gz LXYCVHWGLHJKLF-LLVKDONJSA-N 2 0 244.383 0.576 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000659644723 411446601 /nfs/dbraw/zinc/44/66/01/411446601.db2.gz YONMVBNRFRLXAG-GHMZBOCLSA-N 2 0 242.367 0.365 20 0 BCADRP C[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659514611 411467577 /nfs/dbraw/zinc/46/75/77/411467577.db2.gz LRBPLVPDGLOCCU-SNVBAGLBSA-N 2 0 242.367 0.378 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NCC1([NH3+])CCCC1 ZINC000659516770 411470379 /nfs/dbraw/zinc/47/03/79/411470379.db2.gz KMPLSROKSCAVPZ-JTQLQIEISA-N 2 0 242.367 0.540 20 0 BCADRP CO[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCOC1 ZINC000659850351 411476518 /nfs/dbraw/zinc/47/65/18/411476518.db2.gz OKENFGSBLFIZHO-WUHRBBMRSA-N 2 0 240.347 0.189 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659521067 411476692 /nfs/dbraw/zinc/47/66/92/411476692.db2.gz BSZZKLIKWBWVHI-JTQLQIEISA-N 2 0 244.383 0.739 20 0 BCADRP CC[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)CO1 ZINC000657370325 411483860 /nfs/dbraw/zinc/48/38/60/411483860.db2.gz BRMATRIORDZGKZ-RYUDHWBXSA-N 2 0 242.363 0.600 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000659530037 411489146 /nfs/dbraw/zinc/48/91/46/411489146.db2.gz NMVQXPORAPNDKF-JQWIXIFHSA-N 2 0 242.367 0.283 20 0 BCADRP CC[NH+]1CCC([NH2+]CC(C)(C)OCCO)CC1 ZINC000310304459 169954669 /nfs/dbraw/zinc/95/46/69/169954669.db2.gz RGYKIWGZEKYJKC-UHFFFAOYSA-N 2 0 244.379 0.848 20 0 BCADRP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C[C@@H](C)O)C(C)C ZINC000659909498 411495623 /nfs/dbraw/zinc/49/56/23/411495623.db2.gz VCJVAFJHNNXHMG-CHWSQXEVSA-N 2 0 246.395 0.779 20 0 BCADRP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C[C@H](C)O)C(C)C ZINC000659909502 411495943 /nfs/dbraw/zinc/49/59/43/411495943.db2.gz VCJVAFJHNNXHMG-QWHCGFSZSA-N 2 0 246.395 0.779 20 0 BCADRP CN(CCC[NH3+])C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000309471547 411497669 /nfs/dbraw/zinc/49/76/69/411497669.db2.gz RBJVGGJZYVIFMD-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1CCCC[NH2+]1 ZINC000127629005 411498635 /nfs/dbraw/zinc/49/86/35/411498635.db2.gz FNOCGBWKYZUDEE-QWRGUYRKSA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+][C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000127648394 411499414 /nfs/dbraw/zinc/49/94/14/411499414.db2.gz BIDZBRYNWLVKAW-YPMHNXCESA-N 2 0 247.342 0.802 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])CC[NH2+]1 ZINC000659535624 411500969 /nfs/dbraw/zinc/50/09/69/411500969.db2.gz BMOWDAJWNMTQEO-ZJUUUORDSA-N 2 0 242.367 0.506 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000127668409 411501215 /nfs/dbraw/zinc/50/12/15/411501215.db2.gz RGJCUDTWANMTRY-JQWIXIFHSA-N 2 0 227.352 0.476 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000127674547 411502251 /nfs/dbraw/zinc/50/22/51/411502251.db2.gz UPIMPHVMZAXVBD-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP Cc1c[nH]c(C[NH2+]CCOCC[NH+](C)C)n1 ZINC000657436087 411509554 /nfs/dbraw/zinc/50/95/54/411509554.db2.gz DHWBLTPGBGXUKA-UHFFFAOYSA-N 2 0 226.324 0.386 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000659542202 411509764 /nfs/dbraw/zinc/50/97/64/411509764.db2.gz YUBBMDQBOHHIDA-VHSXEESVSA-N 2 0 228.340 0.247 20 0 BCADRP COCC[C@H](CO)[NH2+]Cc1cnc2n1CCC2 ZINC000657458862 411517628 /nfs/dbraw/zinc/51/76/28/411517628.db2.gz QJTQSQHRHRFZKL-SNVBAGLBSA-N 2 0 239.319 0.316 20 0 BCADRP COC[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805915 411520366 /nfs/dbraw/zinc/52/03/66/411520366.db2.gz NEMGUILTFKYNIK-MXWKQRLJSA-N 2 0 200.326 0.951 20 0 BCADRP CCn1nncc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824742 411526367 /nfs/dbraw/zinc/52/63/67/411526367.db2.gz OGMVPCRKBGFECP-PHIMTYICSA-N 2 0 237.351 0.728 20 0 BCADRP Cn1cnc(CC[NH2+]Cc2cn[nH]c2)c1 ZINC000657488650 411531660 /nfs/dbraw/zinc/53/16/60/411531660.db2.gz JOUHQIDWWLJXCC-UHFFFAOYSA-N 2 0 205.265 0.476 20 0 BCADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CO1 ZINC000657325172 411464851 /nfs/dbraw/zinc/46/48/51/411464851.db2.gz GJJXOUMKOXEADI-JHJVBQTASA-N 2 0 242.363 0.600 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)CCC(C)(C)[NH3+])C1 ZINC000069633948 411465942 /nfs/dbraw/zinc/46/59/42/411465942.db2.gz CIUPAQNGNOJENJ-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000037643500 170006654 /nfs/dbraw/zinc/00/66/54/170006654.db2.gz ZNXXXKVSVSBHRC-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)CCC(C)(C)[NH3+] ZINC000069634050 411466369 /nfs/dbraw/zinc/46/63/69/411466369.db2.gz XKGQYAHENHMSHE-JTQLQIEISA-N 2 0 229.368 0.960 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C)[C@@H](C)C1 ZINC000362374778 170010081 /nfs/dbraw/zinc/01/00/81/170010081.db2.gz DEUNVUJSRBTOTE-NWDGAFQWSA-N 2 0 241.379 0.737 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)CCC[NH3+])[C@H](C)C1 ZINC000336741145 170010318 /nfs/dbraw/zinc/01/03/18/170010318.db2.gz MYNRJZUWDGZZLX-VXGBXAGGSA-N 2 0 213.369 0.997 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCC(=O)NC)[C@H](C)C1 ZINC000358023789 170012865 /nfs/dbraw/zinc/01/28/65/170012865.db2.gz KZARXMJHNCAIMR-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC(N)=O)C1 ZINC000309028817 170016849 /nfs/dbraw/zinc/01/68/49/170016849.db2.gz CJEQMBPTFJRVEQ-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC(N)=O)C1 ZINC000309028815 170017236 /nfs/dbraw/zinc/01/72/36/170017236.db2.gz CJEQMBPTFJRVEQ-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C(F)F)[C@H](C)C1 ZINC000336778404 170021485 /nfs/dbraw/zinc/02/14/85/170021485.db2.gz LHIZJRSNACUMCZ-UTLUCORTSA-N 2 0 236.306 0.932 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(CO)COC2)[C@@H](C)C1 ZINC000358348704 170021672 /nfs/dbraw/zinc/02/16/72/170021672.db2.gz WBQDDUIVYLGEFY-RYUDHWBXSA-N 2 0 242.363 0.315 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2)[C@H](C)C1 ZINC000358125619 170022687 /nfs/dbraw/zinc/02/26/87/170022687.db2.gz IEJIARDYXKEWNM-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2)[C@@H](C)C1 ZINC000358125617 170022892 /nfs/dbraw/zinc/02/28/92/170022892.db2.gz IEJIARDYXKEWNM-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH2+]C ZINC000236848692 170024048 /nfs/dbraw/zinc/02/40/48/170024048.db2.gz JGVDTGKLISQXAN-MNOVXSKESA-N 2 0 225.336 0.291 20 0 BCADRP CCNC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341181807 170058429 /nfs/dbraw/zinc/05/84/29/170058429.db2.gz FOFVBTMQZMBWTA-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP CCNC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336127166 170058471 /nfs/dbraw/zinc/05/84/71/170058471.db2.gz OMFLELIVLFJPEH-UHFFFAOYSA-N 2 0 225.336 0.198 20 0 BCADRP CCNC(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352488750 170058815 /nfs/dbraw/zinc/05/88/15/170058815.db2.gz UENQPYMRIGPOPH-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP CCNC(=O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166128 170058975 /nfs/dbraw/zinc/05/89/75/170058975.db2.gz ISMKNMLFCLYGPX-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000134367468 170114412 /nfs/dbraw/zinc/11/44/12/170114412.db2.gz FSQQXGSNKMTCKY-LLVKDONJSA-N 2 0 213.325 0.244 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000368126225 170114455 /nfs/dbraw/zinc/11/44/55/170114455.db2.gz QAYKJYFYUARTDW-MNOVXSKESA-N 2 0 227.352 0.346 20 0 BCADRP CC[NH2+][C@@H](C)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000309160798 170139419 /nfs/dbraw/zinc/13/94/19/170139419.db2.gz YYFOWCHQQAGIFT-IUCAKERBSA-N 2 0 201.314 0.084 20 0 BCADRP CC[NH2+][C@@H](C)CNC(=O)[C@H]1CC(F)(F)CN1 ZINC000358934755 170140147 /nfs/dbraw/zinc/14/01/47/170140147.db2.gz LBLSRKPJYMGPSD-JGVFFNPUSA-N 2 0 235.278 0.098 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[NH2+][C@@H]1CC ZINC000353424847 170157406 /nfs/dbraw/zinc/15/74/06/170157406.db2.gz GIIJZDGLMDCEMW-GMTAPVOTSA-N 2 0 227.352 0.489 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000366449323 170158056 /nfs/dbraw/zinc/15/80/56/170158056.db2.gz NMZLWYFERCMRRL-GHMZBOCLSA-N 2 0 239.363 0.490 20 0 BCADRP OC/C=C\C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657592718 411556691 /nfs/dbraw/zinc/55/66/91/411556691.db2.gz ALZXOXMCSGWKFT-VHYYUZIWSA-N 2 0 210.321 0.751 20 0 BCADRP CCOC(=O)[C@@H](CC)[NH+]1CCC(C[NH3+])CC1 ZINC000082759325 170249794 /nfs/dbraw/zinc/24/97/94/170249794.db2.gz KPYJAFPDSIHCCM-LLVKDONJSA-N 2 0 228.336 0.999 20 0 BCADRP CCOCCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000336646897 170382165 /nfs/dbraw/zinc/38/21/65/170382165.db2.gz DILVSPICPKGJDC-WDEREUQCSA-N 2 0 200.326 0.953 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(CCc2cn[nH]n2)CC1 ZINC000660415208 411582264 /nfs/dbraw/zinc/58/22/64/411582264.db2.gz BQHQROHKRHMICT-GFCCVEGCSA-N 2 0 237.351 0.763 20 0 BCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000131671020 411591398 /nfs/dbraw/zinc/59/13/98/411591398.db2.gz NIKCJPQFAQLWLJ-VXGBXAGGSA-N 2 0 233.315 0.035 20 0 BCADRP CC[NH+](CC)CCC[NH2+][C@@H](C)Cn1cncn1 ZINC000657816905 411605931 /nfs/dbraw/zinc/60/59/31/411605931.db2.gz PNTVSVQVFYJERM-LBPRGKRZSA-N 2 0 239.367 0.988 20 0 BCADRP C[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000657876352 411615078 /nfs/dbraw/zinc/61/50/78/411615078.db2.gz LLTUXHBFPMUWBX-NWDGAFQWSA-N 2 0 237.351 0.598 20 0 BCADRP C[C@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662964 411615569 /nfs/dbraw/zinc/61/55/69/411615569.db2.gz MEXVEPFCNWDAFD-RYUDHWBXSA-N 2 0 212.337 0.785 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+]C1(CCO)CCCC1 ZINC000660682973 411617075 /nfs/dbraw/zinc/61/70/75/411617075.db2.gz XRJLFDYHSLEKCS-GFCCVEGCSA-N 2 0 244.379 0.584 20 0 BCADRP NC(=O)c1cnccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000663424890 411656463 /nfs/dbraw/zinc/65/64/63/411656463.db2.gz JASWNMDVWXUTHW-SECBINFHSA-N 2 0 246.314 0.251 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663495541 411669190 /nfs/dbraw/zinc/66/91/90/411669190.db2.gz YSVYXCYIOHDHLG-UTUOFQBUSA-N 2 0 211.353 0.559 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663496417 411669466 /nfs/dbraw/zinc/66/94/66/411669466.db2.gz VTOWAIOOCGSATD-SDDRHHMPSA-N 2 0 209.337 0.137 20 0 BCADRP C[C@@H]1CN(C[C@@]23C[C@@H]2C[NH2+]C3)[C@H](C)C[NH2+]1 ZINC000663492820 411671308 /nfs/dbraw/zinc/67/13/08/411671308.db2.gz BQFPHCOPTBVILK-KKOKHZNYSA-N 2 0 209.337 0.278 20 0 BCADRP C[C@@H]1CN(C[C@@]23C[C@@H]2C[NH2+]C3)[C@@H](C)C[NH2+]1 ZINC000663492821 411671567 /nfs/dbraw/zinc/67/15/67/411671567.db2.gz BQFPHCOPTBVILK-KXNHARMFSA-N 2 0 209.337 0.278 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663493966 411672312 /nfs/dbraw/zinc/67/23/12/411672312.db2.gz FTKHTCWGDFOQAV-QNWHQSFQSA-N 2 0 223.364 0.655 20 0 BCADRP C[NH2+]CC1CC[NH+](C[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC000663494277 411672744 /nfs/dbraw/zinc/67/27/44/411672744.db2.gz HNTQEFLZMALKFI-QWHCGFSZSA-N 3 0 223.364 0.527 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000663494281 411672760 /nfs/dbraw/zinc/67/27/60/411672760.db2.gz NHQLUCASYGAOOO-RQJABVFESA-N 3 0 237.391 0.916 20 0 BCADRP C(C[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2)C[C@@H]1CCC[NH2+]1 ZINC000663497438 411678361 /nfs/dbraw/zinc/67/83/61/411678361.db2.gz OLNTZNBXJQMMQX-JHJVBQTASA-N 3 0 223.364 0.718 20 0 BCADRP C(NCC12CC(C1)C[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000663497120 411678600 /nfs/dbraw/zinc/67/86/00/411678600.db2.gz CCDSRXSRHSVXTN-VOMCLLRMSA-N 2 0 209.337 0.328 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663497246 411679386 /nfs/dbraw/zinc/67/93/86/411679386.db2.gz MFZUQNIPLJHWLW-WHOHXGKFSA-N 2 0 209.337 0.455 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663498861 411682124 /nfs/dbraw/zinc/68/21/24/411682124.db2.gz URBSMIJXKUKRNY-SCVCMEIPSA-N 2 0 211.353 0.559 20 0 BCADRP C[C@H](C[C@@H]1CCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000663499980 411683251 /nfs/dbraw/zinc/68/32/51/411683251.db2.gz HOGIKCJQJLHLNH-IGJPJIBNSA-N 2 0 223.364 0.859 20 0 BCADRP C[C@]1(C[N@@H+]2CC[C@H]3COC[C@H]3C2)CC[NH2+]C1 ZINC000663500052 411683707 /nfs/dbraw/zinc/68/37/07/411683707.db2.gz IMZFEFWNHBWVJM-XQQFMLRXSA-N 2 0 224.348 0.954 20 0 BCADRP C[C@]1(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH2+]C1 ZINC000663500049 411684132 /nfs/dbraw/zinc/68/41/32/411684132.db2.gz IMZFEFWNHBWVJM-AGIUHOORSA-N 2 0 224.348 0.954 20 0 BCADRP C(C[C@H]1CCOC1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663501879 411686291 /nfs/dbraw/zinc/68/62/91/411686291.db2.gz ZBLUCVQZSYLQPY-UNXYVOJBSA-N 2 0 210.321 0.755 20 0 BCADRP CC(C)(C)[NH2+]CCN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000663505862 411688476 /nfs/dbraw/zinc/68/84/76/411688476.db2.gz OHAOJQXCAAQUOT-NXEZZACHSA-N 2 0 217.332 0.746 20 0 BCADRP Cn1cncc1CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000314415417 411689620 /nfs/dbraw/zinc/68/96/20/411689620.db2.gz VHBJKQFEBWQNIW-VXGBXAGGSA-N 2 0 234.347 0.504 20 0 BCADRP CCN(C)C[C@@H](O)C[NH2+][C@H](CO)C1CCC1 ZINC000661151568 411720173 /nfs/dbraw/zinc/72/01/73/411720173.db2.gz DDEOTZJRSBVXGL-NWDGAFQWSA-N 2 0 230.352 0.050 20 0 BCADRP C[C@@H]([NH2+]Cc1ccc(N)nc1)[C@@H]1CCC[NH2+]C1 ZINC000647546205 411888394 /nfs/dbraw/zinc/88/83/94/411888394.db2.gz FJOLDGDMYQJIGW-ZYHUDNBSSA-N 2 0 234.347 1.142 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000661828718 411894234 /nfs/dbraw/zinc/89/42/34/411894234.db2.gz VPPZRKKGIPEBOL-IJLUTSLNSA-N 2 0 242.363 0.192 20 0 BCADRP C[NH2+]CC1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000647494301 411900472 /nfs/dbraw/zinc/90/04/72/411900472.db2.gz VXEZQZSCNMLVKE-UHFFFAOYSA-N 2 0 234.347 1.095 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)Cc1ccnc(N)c1 ZINC000629571701 411902631 /nfs/dbraw/zinc/90/26/31/411902631.db2.gz HOLCZPVRQJMKSE-UHFFFAOYSA-N 2 0 238.335 0.332 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccnc(N)c1 ZINC000566244398 411911841 /nfs/dbraw/zinc/91/18/41/411911841.db2.gz NCQKKSOPKHURBL-KOLCDFICSA-N 2 0 220.320 0.833 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(N)nc1 ZINC000647508957 411912122 /nfs/dbraw/zinc/91/21/22/411912122.db2.gz BVUMAJGZZXJTAX-KOLCDFICSA-N 2 0 220.320 0.833 20 0 BCADRP Nc1ncc(C[NH2+]CCOCCC[NH3+])s1 ZINC000629679777 411975625 /nfs/dbraw/zinc/97/56/25/411975625.db2.gz OPHHOVUCSQPKMG-UHFFFAOYSA-N 2 0 230.337 0.180 20 0 BCADRP Nc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)ccn1 ZINC000563153265 411976105 /nfs/dbraw/zinc/97/61/05/411976105.db2.gz DJALJVYHTGIJLF-LLVKDONJSA-N 2 0 220.320 0.835 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000219973035 412009157 /nfs/dbraw/zinc/00/91/57/412009157.db2.gz HVGIAZIOVOLLQG-CMPLNLGQSA-N 2 0 241.379 0.959 20 0 BCADRP CCC[N@H+](C)CC(C)(C)NC(=O)COCC[NH3+] ZINC000664718435 412014230 /nfs/dbraw/zinc/01/42/30/412014230.db2.gz FARJTGJYIXBLPV-UHFFFAOYSA-N 2 0 245.367 0.198 20 0 BCADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](C)C[NH3+] ZINC000664718378 412014294 /nfs/dbraw/zinc/01/42/94/412014294.db2.gz CVDFDCXEYXJCPF-SNVBAGLBSA-N 2 0 229.368 0.818 20 0 BCADRP CCC[N@H+](C)CC(C)(C)NC(=O)CC[NH2+]C ZINC000664718656 412014322 /nfs/dbraw/zinc/01/43/22/412014322.db2.gz GYEHSTFMHIWQMB-UHFFFAOYSA-N 2 0 229.368 0.833 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662228608 412031563 /nfs/dbraw/zinc/03/15/63/412031563.db2.gz IVUSMJAJJQRIHI-STQMWFEESA-N 2 0 224.348 0.954 20 0 BCADRP CCN1CC[C@H]([NH+]2CCC(C[NH3+])CC2)C1=O ZINC000662233633 412031827 /nfs/dbraw/zinc/03/18/27/412031827.db2.gz HORRSBMYEDXHKZ-NSHDSACASA-N 2 0 225.336 0.278 20 0 BCADRP COC[C@H](CN1CCCC[C@H]1[C@@H](C)[NH3+])OC ZINC000662235798 412035203 /nfs/dbraw/zinc/03/52/03/412035203.db2.gz SVVGTPZYEFBBGG-WOPDTQHZSA-N 2 0 230.352 0.850 20 0 BCADRP C[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H](C)[NH2+]1 ZINC000662242967 412036975 /nfs/dbraw/zinc/03/69/75/412036975.db2.gz FYSLNPKZPZQMHE-IJLUTSLNSA-N 2 0 239.363 0.190 20 0 BCADRP C[C@H](CCNC(=O)N[C@@H](C)C[NH+](C)C)[NH+](C)C ZINC000664895786 412040484 /nfs/dbraw/zinc/04/04/84/412040484.db2.gz ILQVRCWFGKIZOO-WDEREUQCSA-N 2 0 244.383 0.576 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662245116 412040701 /nfs/dbraw/zinc/04/07/01/412040701.db2.gz KOEIUCSQBFPCBY-RYUDHWBXSA-N 3 0 239.363 0.191 20 0 BCADRP CCN1CC[C@H](N2CC[C@@H](C[NH2+]C)C2)C1=O ZINC000662245142 412041026 /nfs/dbraw/zinc/04/10/26/412041026.db2.gz HWUNWEDFILZYCG-QWRGUYRKSA-N 2 0 225.336 0.149 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000662246414 412042553 /nfs/dbraw/zinc/04/25/53/412042553.db2.gz RTXGKQTZSMIMQP-SRVKXCTJSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C[C@H](COC)OC ZINC000662247060 412044425 /nfs/dbraw/zinc/04/44/25/412044425.db2.gz XSPZWNJITUKYPM-GHMZBOCLSA-N 2 0 216.325 0.332 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662247173 412044451 /nfs/dbraw/zinc/04/44/51/412044451.db2.gz USPHRLJEZHFKCW-NEPJUHHUSA-N 3 0 239.363 0.049 20 0 BCADRP C[NH2+]C1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662247082 412044519 /nfs/dbraw/zinc/04/45/19/412044519.db2.gz YQPAXXHAWLXYAX-LBPRGKRZSA-N 3 0 239.363 0.191 20 0 BCADRP CCN1CC[C@H](N2CCC[C@H]([C@H](C)[NH3+])C2)C1=O ZINC000662246879 412044918 /nfs/dbraw/zinc/04/49/18/412044918.db2.gz UQZJCZFBXJJTJV-SRVKXCTJSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662247176 412045043 /nfs/dbraw/zinc/04/50/43/412045043.db2.gz USPHRLJEZHFKCW-VXGBXAGGSA-N 3 0 239.363 0.049 20 0 BCADRP COC[C@H](C[N@H+](C)CC[C@@H]([NH3+])C(C)C)OC ZINC000662247341 412045060 /nfs/dbraw/zinc/04/50/60/412045060.db2.gz FYIDGFZNOWFFGG-NWDGAFQWSA-N 2 0 232.368 0.953 20 0 BCADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCCOCC1 ZINC000662253894 412048834 /nfs/dbraw/zinc/04/88/34/412048834.db2.gz YFCXICILJFQOHB-NSHDSACASA-N 2 0 226.320 0.230 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCS1 ZINC000662257003 412050861 /nfs/dbraw/zinc/05/08/61/412050861.db2.gz LIWAQYUNHKWAJY-GHMZBOCLSA-N 2 0 242.388 0.945 20 0 BCADRP CC(C)[NH2+]C1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662262029 412053800 /nfs/dbraw/zinc/05/38/00/412053800.db2.gz CWBJHWVOLGGKDY-CYBMUJFWSA-N 2 0 241.379 0.437 20 0 BCADRP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1CCOC1 ZINC000662259243 412054151 /nfs/dbraw/zinc/05/41/51/412054151.db2.gz SRJQMGODKALNDH-NWDGAFQWSA-N 2 0 240.347 0.476 20 0 BCADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[NH+]1CCCCC1 ZINC000662259604 412054539 /nfs/dbraw/zinc/05/45/39/412054539.db2.gz ZLRBLSRKIFORBI-NSHDSACASA-N 2 0 210.321 0.993 20 0 BCADRP CN(C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](C[NH3+])C1CC1 ZINC000662272653 412062282 /nfs/dbraw/zinc/06/22/82/412062282.db2.gz HKNOYPGYDJQYOJ-RYUDHWBXSA-N 2 0 239.363 0.177 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC[NH3+] ZINC000375848630 171100310 /nfs/dbraw/zinc/10/03/10/171100310.db2.gz LFTMRJUSFLDXCP-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@H](COC)OC)CC[C@@H]1[NH3+] ZINC000662273108 412064690 /nfs/dbraw/zinc/06/46/90/412064690.db2.gz SYSBDKGJUSAGNU-UTUOFQBUSA-N 2 0 230.352 0.707 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@@H](COC)OC)CC[C@@H]1[NH3+] ZINC000662273109 412066089 /nfs/dbraw/zinc/06/60/89/412066089.db2.gz SYSBDKGJUSAGNU-WOPDTQHZSA-N 2 0 230.352 0.707 20 0 BCADRP C[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H](C)C[NH2+]1 ZINC000662274849 412067444 /nfs/dbraw/zinc/06/74/44/412067444.db2.gz NBMJHAPHQBYAFG-WOPDTQHZSA-N 2 0 239.363 0.190 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H]1C[NH3+] ZINC000353154327 171146143 /nfs/dbraw/zinc/14/61/43/171146143.db2.gz RQBYUOSWINTZCG-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000353154332 171146265 /nfs/dbraw/zinc/14/62/65/171146265.db2.gz RQBYUOSWINTZCG-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000353184247 171146456 /nfs/dbraw/zinc/14/64/56/171146456.db2.gz IIRJGLYFORMWNS-WYUUTHIRSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000353164315 171146534 /nfs/dbraw/zinc/14/65/34/171146534.db2.gz FMPUQNCYMRFPME-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+](C)C1CC1 ZINC000353476121 171147179 /nfs/dbraw/zinc/14/71/79/171147179.db2.gz YLFZATRSEHQYNK-RYUDHWBXSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000353131055 171148141 /nfs/dbraw/zinc/14/81/41/171148141.db2.gz PZIKRHCNCBMBQR-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000353128828 171148182 /nfs/dbraw/zinc/14/81/82/171148182.db2.gz LOZASLIXDQMVSP-GMXVVIOVSA-N 2 0 241.379 0.864 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000353465763 171148370 /nfs/dbraw/zinc/14/83/70/171148370.db2.gz FUJABFKWDAFSEY-NOOOWODRSA-N 2 0 239.363 0.631 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000353136486 171148470 /nfs/dbraw/zinc/14/84/70/171148470.db2.gz XILVIBHZJBQNOY-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000353430959 171148903 /nfs/dbraw/zinc/14/89/03/171148903.db2.gz XPDIXLZHJOJJGL-UTUOFQBUSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000336618697 171149735 /nfs/dbraw/zinc/14/97/35/171149735.db2.gz MGJBCVBZBBFQGL-MNOVXSKESA-N 2 0 225.336 0.243 20 0 BCADRP CN(Cc1cccc2c1CC[NH2+]C2)C[C@H](O)C[NH3+] ZINC000662277660 412069391 /nfs/dbraw/zinc/06/93/91/412069391.db2.gz RPOKVWPFHFINDR-CYBMUJFWSA-N 2 0 249.358 0.084 20 0 BCADRP C1=CCC(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000662276759 412069394 /nfs/dbraw/zinc/06/93/94/412069394.db2.gz PMNZQGDIEBJCQD-CQSZACIVSA-N 2 0 235.375 0.932 20 0 BCADRP CO[C@@H](C[N@H+](C)C[C@@H](O)C[NH3+])C1CCCCC1 ZINC000662276905 412069493 /nfs/dbraw/zinc/06/94/93/412069493.db2.gz NDEVHCMDURRTPB-STQMWFEESA-N 2 0 244.379 0.833 20 0 BCADRP CC[C@H](C)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286460 412076886 /nfs/dbraw/zinc/07/68/86/412076886.db2.gz HWSHPWJJQBKAKH-JTQLQIEISA-N 2 0 200.326 0.737 20 0 BCADRP CC[C@@]1(C(=O)N2CC[NH2+][C@H](C)C2)CC[NH2+]C1 ZINC000364167981 171195642 /nfs/dbraw/zinc/19/56/42/171195642.db2.gz DVXVNDLEBSYODO-ZYHUDNBSSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000360468510 171195768 /nfs/dbraw/zinc/19/57/68/171195768.db2.gz WDBKDALHRCGODK-DGCLKSJQSA-N 2 0 239.363 0.492 20 0 BCADRP CC[C@@]1(C(=O)NCC[N@H+](C)C2CC2)CCC[NH2+]1 ZINC000122094667 171195893 /nfs/dbraw/zinc/19/58/93/171195893.db2.gz NRFQOGPUQCOZPI-ZDUSSCGKSA-N 2 0 239.363 0.729 20 0 BCADRP CC[C@@]1(C(=O)NCC[C@H](C)[NH3+])CCC[NH2+]1 ZINC000184074422 171196102 /nfs/dbraw/zinc/19/61/02/171196102.db2.gz XLBUWFBQSHUONK-ONGXEEELSA-N 2 0 213.325 0.372 20 0 BCADRP CCOCCC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286803 412077444 /nfs/dbraw/zinc/07/74/44/412077444.db2.gz MEHIBAVSWPPWNI-UHFFFAOYSA-N 2 0 216.325 0.117 20 0 BCADRP CC[NH+](CC)CCCNC1(CO)CC[NH2+]CC1 ZINC000662285101 412077496 /nfs/dbraw/zinc/07/74/96/412077496.db2.gz WOEZFLKDOSRUFI-UHFFFAOYSA-N 2 0 243.395 0.422 20 0 BCADRP OCC1([NH2+]CC[C@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000662286838 412077636 /nfs/dbraw/zinc/07/76/36/412077636.db2.gz MWQWCRHFKUXNAB-GFCCVEGCSA-N 3 0 241.379 0.080 20 0 BCADRP CC[C@H](C(=O)N(C)CC[NH+](C)C)[NH+](C)C ZINC000121673206 171221369 /nfs/dbraw/zinc/22/13/69/171221369.db2.gz TUKIXJSLVVKZMB-SNVBAGLBSA-N 2 0 215.341 0.347 20 0 BCADRP CC[C@H](C(=O)N[C@@H](C)C[NH+](C)C)[NH+](C)C ZINC000346134268 171232283 /nfs/dbraw/zinc/23/22/83/171232283.db2.gz BZYRBRXOTBXKEW-VHSXEESVSA-N 2 0 215.341 0.393 20 0 BCADRP COC[C@@H](C[NH+]1CCC(CC[NH3+])CC1)OC ZINC000662284931 412076398 /nfs/dbraw/zinc/07/63/98/412076398.db2.gz RNPQMYMRTYJOFT-GFCCVEGCSA-N 2 0 230.352 0.709 20 0 BCADRP COCC1([N@H+](C)CCOCC[NH3+])CC1 ZINC000662297617 412084049 /nfs/dbraw/zinc/08/40/49/412084049.db2.gz GUMLSPYNSHYYPU-UHFFFAOYSA-N 2 0 202.298 0.073 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)C[NH2+]C ZINC000246240313 171306035 /nfs/dbraw/zinc/30/60/35/171306035.db2.gz IRUVMRXNIVMREM-MNOVXSKESA-N 2 0 229.368 0.688 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C[C@H](C)[NH3+] ZINC000300359101 171307107 /nfs/dbraw/zinc/30/71/07/171307107.db2.gz MTNSINHKECHIKY-UWVGGRQHSA-N 2 0 215.341 0.570 20 0 BCADRP CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224293276 171324399 /nfs/dbraw/zinc/32/43/99/171324399.db2.gz HQVBZERFBOSMGL-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000375255223 171370244 /nfs/dbraw/zinc/37/02/44/171370244.db2.gz DMRBEGHKNLMXCL-HHHUOAJASA-N 2 0 239.363 0.841 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@H+](C)CCOC ZINC000061380596 171370590 /nfs/dbraw/zinc/37/05/90/171370590.db2.gz ARFQBLDTNXMOJA-WDEREUQCSA-N 2 0 245.367 0.054 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000054133556 171370652 /nfs/dbraw/zinc/37/06/52/171370652.db2.gz UONFLPAJNFMHRA-WDEREUQCSA-N 2 0 229.368 0.816 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368104655 171394135 /nfs/dbraw/zinc/39/41/35/171394135.db2.gz IKQJXNCJNZKQOA-USZNOCQGSA-N 2 0 239.363 0.428 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000020217844 171394544 /nfs/dbraw/zinc/39/45/44/171394544.db2.gz BESCCYVNRMPBFO-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000337523737 171394561 /nfs/dbraw/zinc/39/45/61/171394561.db2.gz WXLJHZZXUSHCID-ZDCRXTMVSA-N 2 0 227.352 0.556 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[NH+](CC)CC ZINC000019430587 171395394 /nfs/dbraw/zinc/39/53/94/171395394.db2.gz TWCZDBRVXIYDJS-QWRGUYRKSA-N 2 0 229.368 0.818 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[NH+](C)C ZINC000011959297 171395625 /nfs/dbraw/zinc/39/56/25/171395625.db2.gz INSMHMSENKQJJL-IUCAKERBSA-N 2 0 201.314 0.038 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237032358 171395923 /nfs/dbraw/zinc/39/59/23/171395923.db2.gz YNMRECXAUZJGNW-SRVKXCTJSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000662386496 412140311 /nfs/dbraw/zinc/14/03/11/412140311.db2.gz BBJPZVZGALLNLK-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC([NH3+])CC1 ZINC000662389267 412140697 /nfs/dbraw/zinc/14/06/97/412140697.db2.gz UOUZDHQQRLAOLH-NSHDSACASA-N 2 0 241.379 0.947 20 0 BCADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000662298936 412087407 /nfs/dbraw/zinc/08/74/07/412087407.db2.gz SZHWZGINEDGRHV-SRVKXCTJSA-N 2 0 210.321 0.849 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000662389437 412141727 /nfs/dbraw/zinc/14/17/27/412141727.db2.gz XIZNJNVNQZFTEJ-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000662316222 412094429 /nfs/dbraw/zinc/09/44/29/412094429.db2.gz XJJMBGCGENTCDZ-STQMWFEESA-N 2 0 242.363 0.459 20 0 BCADRP C[C@@H]1CCC[N@H+](CC(N)=O)[C@@H]1CCC[NH3+] ZINC000662314973 412096989 /nfs/dbraw/zinc/09/69/89/412096989.db2.gz GFNDHVSFOXFQJS-NXEZZACHSA-N 2 0 213.325 0.311 20 0 BCADRP CC(C)NC(=O)[C@@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000662316673 412097595 /nfs/dbraw/zinc/09/75/95/412097595.db2.gz LUVPSGFEQKDTNP-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP C(C[N@@H+]1CC[C@@H]2COC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000662317291 412098747 /nfs/dbraw/zinc/09/87/47/412098747.db2.gz OGCPUSWFOQVCHP-UPJWGTAASA-N 2 0 224.348 0.954 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000662389436 412142151 /nfs/dbraw/zinc/14/21/51/412142151.db2.gz XIZNJNVNQZFTEJ-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP CC12CC(C1)C[N@@H+]2CCN1CC[NH2+]CC1 ZINC000662339017 412108390 /nfs/dbraw/zinc/10/83/90/412108390.db2.gz ZJUVFTXOSSYCQR-UHFFFAOYSA-N 2 0 209.337 0.376 20 0 BCADRP CC12CC(C1)C[N@@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000662337885 412108533 /nfs/dbraw/zinc/10/85/33/412108533.db2.gz NJOLXMYYSXTAMQ-UHFFFAOYSA-N 2 0 237.347 0.293 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)CC2([NH3+])CC2)c1 ZINC000662392019 412143440 /nfs/dbraw/zinc/14/34/40/412143440.db2.gz AOQUUCIJWJZGKB-UHFFFAOYSA-N 2 0 219.288 0.965 20 0 BCADRP [NH3+]CCCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662393266 412143070 /nfs/dbraw/zinc/14/30/70/412143070.db2.gz OGIZIVMEZYQGFV-UHFFFAOYSA-N 2 0 211.309 0.126 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000662442112 412175776 /nfs/dbraw/zinc/17/57/76/412175776.db2.gz QJPLFGZMECNPAR-ONGXEEELSA-N 2 0 227.352 0.583 20 0 BCADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000665241151 412183038 /nfs/dbraw/zinc/18/30/38/412183038.db2.gz AKGZWHBZUBLEMQ-XBFCOCLRSA-N 2 0 233.359 0.896 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[NH2+]C(C)(C)C ZINC000662467891 412184547 /nfs/dbraw/zinc/18/45/47/412184547.db2.gz LHEWYKJMCOZSJM-SECBINFHSA-N 2 0 215.341 0.489 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000357254751 171480248 /nfs/dbraw/zinc/48/02/48/171480248.db2.gz ZABQYUGOZYKKQU-STQMWFEESA-N 2 0 247.342 0.727 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH2+]C1 ZINC000665243409 412187647 /nfs/dbraw/zinc/18/76/47/412187647.db2.gz DABCFPYVAVJJSH-NHCYSSNCSA-N 2 0 209.337 0.421 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000662472190 412187888 /nfs/dbraw/zinc/18/78/88/412187888.db2.gz PNYAEUDQBFCNNH-TUAOUCFPSA-N 2 0 241.379 0.926 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000662553659 412214806 /nfs/dbraw/zinc/21/48/06/412214806.db2.gz JUTSQUMAIZQGCA-LPEHRKFASA-N 2 0 213.325 0.099 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000662479326 412189811 /nfs/dbraw/zinc/18/98/11/412189811.db2.gz GGXDBZDFEFXSLG-QWRGUYRKSA-N 2 0 245.367 0.195 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000662554442 412214878 /nfs/dbraw/zinc/21/48/78/412214878.db2.gz VBXDRDNQEAUSPF-PWSUYJOCSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1([NH3+])CCCC1 ZINC000665246731 412190419 /nfs/dbraw/zinc/19/04/19/412190419.db2.gz MNJYGFOLLIXIJW-TUAOUCFPSA-N 2 0 241.379 0.600 20 0 BCADRP C[C@@H](C[C@@H]1COCC[NH2+]1)NCC1([NH3+])CCCC1 ZINC000665246579 412190818 /nfs/dbraw/zinc/19/08/18/412190818.db2.gz JCJNYMYYTLKRTF-NWDGAFQWSA-N 2 0 241.379 0.615 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000662483227 412191517 /nfs/dbraw/zinc/19/15/17/412191517.db2.gz SSHHFOJVJKUOAI-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](C[C@H]1COCC[NH2+]1)NCC1([NH3+])CCCC1 ZINC000665246578 412191623 /nfs/dbraw/zinc/19/16/23/412191623.db2.gz JCJNYMYYTLKRTF-NEPJUHHUSA-N 2 0 241.379 0.615 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC1=CC[NH2+]CC1 ZINC000662553392 412215001 /nfs/dbraw/zinc/21/50/01/412215001.db2.gz JGAZQZAYFAUWLT-SNVBAGLBSA-N 2 0 211.309 0.020 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000662557151 412215937 /nfs/dbraw/zinc/21/59/37/412215937.db2.gz GPXQEHCLECVDFK-VWYCJHECSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC1=CC[NH2+]CC1 ZINC000662553391 412215137 /nfs/dbraw/zinc/21/51/37/412215137.db2.gz JGAZQZAYFAUWLT-JTQLQIEISA-N 2 0 211.309 0.020 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000662513648 412200272 /nfs/dbraw/zinc/20/02/72/412200272.db2.gz CIWYIFNPVRSVJV-UWVGGRQHSA-N 2 0 213.325 0.193 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000662513650 412200734 /nfs/dbraw/zinc/20/07/34/412200734.db2.gz CIWYIFNPVRSVJV-ZJUUUORDSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000662515556 412201413 /nfs/dbraw/zinc/20/14/13/412201413.db2.gz WMIRVVQPLDWRBK-GARJFASQSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000662515433 412201895 /nfs/dbraw/zinc/20/18/95/412201895.db2.gz RLLPILMLDHRIRS-LBPRGKRZSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662519625 412202485 /nfs/dbraw/zinc/20/24/85/412202485.db2.gz SWMZYVMUIGPZAD-QWRGUYRKSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662518193 412203101 /nfs/dbraw/zinc/20/31/01/412203101.db2.gz AVSPGUKGEAQGHI-DCAQKATOSA-N 2 0 225.336 0.195 20 0 BCADRP Cc1cnccc1NC(=O)[C@@H]([NH3+])COC(C)C ZINC000662529188 412206194 /nfs/dbraw/zinc/20/61/94/412206194.db2.gz QYAMEKPVALFFND-JTQLQIEISA-N 2 0 237.303 0.503 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000662539667 412208540 /nfs/dbraw/zinc/20/85/40/412208540.db2.gz HBKWPWNDDNTXHU-LPEHRKFASA-N 2 0 225.336 0.336 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662548395 412211096 /nfs/dbraw/zinc/21/10/96/412211096.db2.gz DXXYMIWMFKUOND-GXFFZTMASA-N 2 0 247.342 0.932 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662551136 412213146 /nfs/dbraw/zinc/21/31/46/412213146.db2.gz JQZNMEUMAPWEKL-DBIOUOCHSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000665272578 412213292 /nfs/dbraw/zinc/21/32/92/412213292.db2.gz HSHRPIRMVKWEPU-VWYCJHECSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+]CCCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662393957 412144723 /nfs/dbraw/zinc/14/47/23/412144723.db2.gz MFMVEVITFRXVOX-LBPRGKRZSA-N 2 0 233.315 0.686 20 0 BCADRP [NH3+]C1(C(=O)N2CC[NH2+]CC2)CC2(CCC2)C1 ZINC000662393888 412144822 /nfs/dbraw/zinc/14/48/22/412144822.db2.gz XJHUVELRWXTNIR-UHFFFAOYSA-N 2 0 223.320 0.080 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC(C[NH3+])CC1 ZINC000662396294 412145765 /nfs/dbraw/zinc/14/57/65/412145765.db2.gz WGWHXSADJXZPNM-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP O=C(c1cccc2c1C[NH2+]C2)N1CCC[NH2+]CC1 ZINC000662396006 412146128 /nfs/dbraw/zinc/14/61/28/412146128.db2.gz OKSUFCCVKUNZRE-UHFFFAOYSA-N 2 0 245.326 0.725 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662397516 412147101 /nfs/dbraw/zinc/14/71/01/412147101.db2.gz GMSIDCWFHYEQCA-XWLWVQCSSA-N 2 0 225.336 0.452 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)CC1([NH3+])CC1 ZINC000662401990 412148617 /nfs/dbraw/zinc/14/86/17/412148617.db2.gz DMNDGKYRVWPVFQ-SECBINFHSA-N 2 0 211.309 0.208 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CC[NH2+]C1 ZINC000662400983 412148770 /nfs/dbraw/zinc/14/87/70/412148770.db2.gz KIZAQUAKTPOVIB-QWRGUYRKSA-N 2 0 227.352 0.476 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000662403737 412150874 /nfs/dbraw/zinc/15/08/74/412150874.db2.gz OMAKKTXQUTYUDO-VWYCJHECSA-N 2 0 227.352 0.489 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662403733 412150923 /nfs/dbraw/zinc/15/09/23/412150923.db2.gz IHSHNXHOXDMLHJ-SNVBAGLBSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000662404193 412151090 /nfs/dbraw/zinc/15/10/90/412151090.db2.gz QBUVSHMJRGSKDN-UTUOFQBUSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662404626 412151810 /nfs/dbraw/zinc/15/18/10/412151810.db2.gz PWMCSYKMGBWBTO-VIFPVBQESA-N 2 0 223.320 0.208 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000662551889 412213573 /nfs/dbraw/zinc/21/35/73/412213573.db2.gz HOTTZTLXUXYBBL-SNVBAGLBSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662411177 412155465 /nfs/dbraw/zinc/15/54/65/412155465.db2.gz ZPZHLOXIFXDALT-FBIMIBRVSA-N 2 0 225.336 0.310 20 0 BCADRP CC(C)(C[NH3+])NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662411022 412155576 /nfs/dbraw/zinc/15/55/76/412155576.db2.gz PNWOIQPWSXJSHJ-UHFFFAOYSA-N 2 0 233.315 0.757 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]1)c1cccc2c1C[NH2+]C2 ZINC000662412379 412155962 /nfs/dbraw/zinc/15/59/62/412155962.db2.gz PTJDEGWBHHYKBD-LLVKDONJSA-N 2 0 245.326 0.772 20 0 BCADRP C[C@H]1CN(C(=O)CC2([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC000662415598 412156954 /nfs/dbraw/zinc/15/69/54/412156954.db2.gz IAIPPIQVRKGSNP-IUCAKERBSA-N 2 0 211.309 0.077 20 0 BCADRP [NH3+][C@H](CNC(=O)CC1([NH3+])CC1)c1ccccc1 ZINC000662413174 412157535 /nfs/dbraw/zinc/15/75/35/412157535.db2.gz MEDLCCILBHNUTI-LLVKDONJSA-N 2 0 233.315 0.684 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000662417195 412158377 /nfs/dbraw/zinc/15/83/77/412158377.db2.gz FJEPCEBLNGONKK-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[NH2+]CC(=O)NC1(C[NH3+])CCCC1 ZINC000662416504 412158756 /nfs/dbraw/zinc/15/87/56/412158756.db2.gz DSVWYZSBISYKQR-UHFFFAOYSA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000662419190 412160110 /nfs/dbraw/zinc/16/01/10/412160110.db2.gz FQOIOXGPKINTSG-NEPJUHHUSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000662418842 412160533 /nfs/dbraw/zinc/16/05/33/412160533.db2.gz CFIWCRUVAZDXSW-VHSXEESVSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000662419159 412160639 /nfs/dbraw/zinc/16/06/39/412160639.db2.gz DYVZKBCWSXQTNZ-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662420799 412161016 /nfs/dbraw/zinc/16/10/16/412161016.db2.gz IRDNKNMAVHALKH-DBIOUOCHSA-N 2 0 225.336 0.357 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N(C)CCC[NH3+] ZINC000662420380 412161049 /nfs/dbraw/zinc/16/10/49/412161049.db2.gz GKCYNBVBYDUIPC-NSHDSACASA-N 2 0 229.368 0.805 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)CC1([NH3+])CC1 ZINC000662421065 412161074 /nfs/dbraw/zinc/16/10/74/412161074.db2.gz CDXSRMGVYLSIHD-JTQLQIEISA-N 2 0 213.325 0.357 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000662420561 412161507 /nfs/dbraw/zinc/16/15/07/412161507.db2.gz AWICPGRALJMCJW-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000662423678 412162889 /nfs/dbraw/zinc/16/28/89/412162889.db2.gz PBOHZSNABKPANB-GXSJLCMTSA-N 2 0 215.341 0.474 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CC1([NH3+])CC1 ZINC000662424680 412163939 /nfs/dbraw/zinc/16/39/39/412163939.db2.gz WYKOAOQUYQARGS-NSHDSACASA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662423950 412163945 /nfs/dbraw/zinc/16/39/45/412163945.db2.gz QEDJDVPJYBSIIE-VLEAKVRGSA-N 2 0 225.336 0.310 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CC1([NH3+])CC1 ZINC000662424678 412164070 /nfs/dbraw/zinc/16/40/70/412164070.db2.gz WYKOAOQUYQARGS-LLVKDONJSA-N 2 0 227.352 0.748 20 0 BCADRP CO[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])[C@H]1CCOC1 ZINC000665234628 412164301 /nfs/dbraw/zinc/16/43/01/412164301.db2.gz HLPALJMVDUVXLH-WHOHXGKFSA-N 2 0 230.352 0.753 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000662426986 412164960 /nfs/dbraw/zinc/16/49/60/412164960.db2.gz JWZQRMOSLYXQHB-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662425204 412165011 /nfs/dbraw/zinc/16/50/11/412165011.db2.gz BYBLFOQOZCCDDM-OUAUKWLOSA-N 2 0 225.336 0.337 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000662552284 412214111 /nfs/dbraw/zinc/21/41/11/412214111.db2.gz RKPQOKLBPMEOLX-GUBZILKMSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CC1([NH3+])CC1 ZINC000662428075 412167294 /nfs/dbraw/zinc/16/72/94/412167294.db2.gz MHDSTSLEXJEOTA-SNVBAGLBSA-N 2 0 227.352 0.700 20 0 BCADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])[C@H]1CCOC1 ZINC000665235056 412173683 /nfs/dbraw/zinc/17/36/83/412173683.db2.gz OVSAGGIPULMWDB-IRCOFANPSA-N 2 0 228.336 0.507 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC[N@H+](CC)C1CC1 ZINC000662438356 412174676 /nfs/dbraw/zinc/17/46/76/412174676.db2.gz ZPTIYKFLTNOUKM-NSHDSACASA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000662439518 412174728 /nfs/dbraw/zinc/17/47/28/412174728.db2.gz NCKWQTFRGBUTBP-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP COC[C@H](CC[NH2+][C@H](C)C1C[NH2+]C1)OC ZINC000665234457 412174841 /nfs/dbraw/zinc/17/48/41/412174841.db2.gz DCFOJQUUZKBGQH-KOLCDFICSA-N 2 0 216.325 0.235 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](CC)[NH2+]C ZINC000662439340 412174912 /nfs/dbraw/zinc/17/49/12/412174912.db2.gz KPZWEYMWVWLPKU-QWRGUYRKSA-N 2 0 229.368 0.831 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CCCC1 ZINC000662647647 412255365 /nfs/dbraw/zinc/25/53/65/412255365.db2.gz BOZMXTULBOKFOC-CMPLNLGQSA-N 2 0 237.347 0.374 20 0 BCADRP [NH3+]CC1(CC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000662648861 412256274 /nfs/dbraw/zinc/25/62/74/412256274.db2.gz KPMCAXDXKJIJSM-UHFFFAOYSA-N 2 0 225.336 0.503 20 0 BCADRP C[NH2+]CCCC(=O)NCC1([NH3+])CCCC1 ZINC000662650104 412256318 /nfs/dbraw/zinc/25/63/18/412256318.db2.gz UVKSAZGHBYBLJO-UHFFFAOYSA-N 2 0 213.325 0.374 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000662655725 412258203 /nfs/dbraw/zinc/25/82/03/412258203.db2.gz RMNYDCOOTHHMCS-ZJUUUORDSA-N 2 0 227.352 0.748 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662658739 412259660 /nfs/dbraw/zinc/25/96/60/412259660.db2.gz CVLYIUWGTCXJFT-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH+](C)CCCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662658512 412259666 /nfs/dbraw/zinc/25/96/66/412259666.db2.gz BBTLRRWMIIUVFZ-UHFFFAOYSA-N 2 0 239.363 0.729 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000662669772 412265674 /nfs/dbraw/zinc/26/56/74/412265674.db2.gz UDSJKJMRENYTRB-XYPYZODXSA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)C[C@@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)[NH+](C)C ZINC000662673646 412267439 /nfs/dbraw/zinc/26/74/39/412267439.db2.gz PIOTXJJXEDRUJF-SRVKXCTJSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)[NH+](C)C ZINC000662693042 412267485 /nfs/dbraw/zinc/26/74/85/412267485.db2.gz NCEFQGRFSHUJHN-ZJUUUORDSA-N 2 0 227.352 0.441 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000662675347 412267526 /nfs/dbraw/zinc/26/75/26/412267526.db2.gz LUHSJGIWFNOFNE-KHJSKFAYSA-N 2 0 245.326 0.636 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)C[C@H]1CCC[NH2+]1 ZINC000662681026 412268775 /nfs/dbraw/zinc/26/87/75/412268775.db2.gz RYBVYDBQJDLIBD-SQLBVSGCSA-N 2 0 223.320 0.078 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000662681307 412269822 /nfs/dbraw/zinc/26/98/22/412269822.db2.gz YQRMAJGIEBFNDP-QRVCZOOMSA-N 2 0 237.347 0.454 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCNc2cnccn2)CC[N@@H+]1C ZINC000361980185 412270137 /nfs/dbraw/zinc/27/01/37/412270137.db2.gz HZBRUZUAGDHFTP-NWDGAFQWSA-N 2 0 249.362 0.961 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000662686517 412270576 /nfs/dbraw/zinc/27/05/76/412270576.db2.gz GOUAWTHSDBZGHT-KKOKHZNYSA-N 2 0 237.347 0.467 20 0 BCADRP CC(C)[C@H](C(=O)N1CC2CC1(C[NH3+])C2)[C@H](C)[NH3+] ZINC000662683938 412270617 /nfs/dbraw/zinc/27/06/17/412270617.db2.gz XMKGQOIEVQPICE-URAGZPLESA-N 2 0 239.363 0.556 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000662688301 412271712 /nfs/dbraw/zinc/27/17/12/412271712.db2.gz OAGYRNSJVNFPFO-QJPTWQEYSA-N 2 0 239.363 0.727 20 0 BCADRP CC[NH+]1CCC(CNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662693951 412273208 /nfs/dbraw/zinc/27/32/08/412273208.db2.gz SJPBHVMXOYVKPS-HAQNSBGRSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000662695402 412274028 /nfs/dbraw/zinc/27/40/28/412274028.db2.gz ZPHGQGCNSABMHK-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000662700371 412275696 /nfs/dbraw/zinc/27/56/96/412275696.db2.gz HTWURHFKBPGQDK-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH2+]C)C1 ZINC000662704216 412276746 /nfs/dbraw/zinc/27/67/46/412276746.db2.gz WRMDXHLUVHFRIH-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000662711292 412279535 /nfs/dbraw/zinc/27/95/35/412279535.db2.gz AVAFQZOLFYRKSM-GUBZILKMSA-N 2 0 225.336 0.323 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662711225 412280039 /nfs/dbraw/zinc/28/00/39/412280039.db2.gz MYKOLFBFCBMSRH-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662714510 412281478 /nfs/dbraw/zinc/28/14/78/412281478.db2.gz IWSUGQBQVVRXMS-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP O=C(NCC12CC(C1)C[NH2+]2)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662714221 412281498 /nfs/dbraw/zinc/28/14/98/412281498.db2.gz BSPJGUMARKQUTC-PUHCBVPISA-N 2 0 249.358 0.385 20 0 BCADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1CC12CC[NH2+]CC2 ZINC000662718194 412282453 /nfs/dbraw/zinc/28/24/53/412282453.db2.gz HQAMKNMCXAQBGN-CVZZAPKMSA-N 2 0 249.358 0.244 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000662730781 412286630 /nfs/dbraw/zinc/28/66/30/412286630.db2.gz PJGLTLGTHDSMJH-NWDGAFQWSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]CCC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662730562 412286692 /nfs/dbraw/zinc/28/66/92/412286692.db2.gz JEVMOEAKAYTZCL-SECBINFHSA-N 2 0 201.314 0.086 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000662731110 412286992 /nfs/dbraw/zinc/28/69/92/412286992.db2.gz YNSJQZBVEHBFGM-ZJUUUORDSA-N 2 0 227.352 0.474 20 0 BCADRP C[NH2+]CCCC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662730848 412287130 /nfs/dbraw/zinc/28/71/30/412287130.db2.gz RRZDWOTWXKEGHR-SNVBAGLBSA-N 2 0 215.341 0.476 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000662556404 412216207 /nfs/dbraw/zinc/21/62/07/412216207.db2.gz QOTLZGAIPUXIQQ-ZRUFSTJUSA-N 2 0 225.336 0.500 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000662557889 412216438 /nfs/dbraw/zinc/21/64/38/412216438.db2.gz PHBGWOBKLALAOM-VHSXEESVSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000662559453 412218204 /nfs/dbraw/zinc/21/82/04/412218204.db2.gz ACACTQFQMDZFLC-YTWAJWBKSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662560108 412218577 /nfs/dbraw/zinc/21/85/77/412218577.db2.gz GQKMFIKVPAWZQM-SCVCMEIPSA-N 2 0 225.336 0.311 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[NH2+]C(C)C ZINC000662560455 412218707 /nfs/dbraw/zinc/21/87/07/412218707.db2.gz KCGZXELIJRJVFI-UWVGGRQHSA-N 2 0 231.315 0.143 20 0 BCADRP CCS(=O)(=O)C1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000665275876 412219883 /nfs/dbraw/zinc/21/98/83/412219883.db2.gz UYGJARBJCKDYLZ-UWVGGRQHSA-N 2 0 248.392 0.669 20 0 BCADRP C[C@H](CCCCO)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665278530 412220549 /nfs/dbraw/zinc/22/05/49/412220549.db2.gz HNFBAXADSLEMCU-VOMCLLRMSA-N 2 0 212.337 0.879 20 0 BCADRP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1CCOC1 ZINC000665277501 412220625 /nfs/dbraw/zinc/22/06/25/412220625.db2.gz CUCLWIPLPFRPKU-QTAHKJALSA-N 2 0 210.321 0.753 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N(C)C1CC([NH3+])C1 ZINC000662565681 412221515 /nfs/dbraw/zinc/22/15/15/412221515.db2.gz FPIIHVQWFCWOOL-UNXYVOJBSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@H]1C[C@H](NCC23CC(C2)C[NH2+]3)C[N@@H+]1C1CC1 ZINC000665277515 412221775 /nfs/dbraw/zinc/22/17/75/412221775.db2.gz DFDRRKNGBCCXRT-ATWGWHJKSA-N 2 0 235.375 0.953 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000662568250 412222398 /nfs/dbraw/zinc/22/23/98/412222398.db2.gz PTNSZRKDUPRDHX-MXWKQRLJSA-N 2 0 229.368 0.849 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279637 412222913 /nfs/dbraw/zinc/22/29/13/412222913.db2.gz ICNDLMYRDBJAPY-UNXYVOJBSA-N 3 0 211.353 0.846 20 0 BCADRP C[C@H](C[C@@H]1COCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000665279463 412223150 /nfs/dbraw/zinc/22/31/50/412223150.db2.gz CWYCGTSFHGKZFI-CQLXCSJHSA-N 2 0 239.363 0.095 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665279842 412223450 /nfs/dbraw/zinc/22/34/50/412223450.db2.gz NMEJCWXQNBAGQB-GMKTYKIGSA-N 2 0 223.364 0.716 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C)CCC[NH3+] ZINC000662569071 412223835 /nfs/dbraw/zinc/22/38/35/412223835.db2.gz WLZNJUFVODUKLF-BDAKNGLRSA-N 2 0 201.314 0.228 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000662571458 412223843 /nfs/dbraw/zinc/22/38/43/412223843.db2.gz PBMUJTAKEDQISK-UWVGGRQHSA-N 2 0 213.325 0.180 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662570169 412223990 /nfs/dbraw/zinc/22/39/90/412223990.db2.gz HGUMODHWODPPGK-YTWAJWBKSA-N 2 0 225.336 0.357 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000662570008 412224051 /nfs/dbraw/zinc/22/40/51/412224051.db2.gz FFWFRCUZXWLUDK-VHSXEESVSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662570167 412224183 /nfs/dbraw/zinc/22/41/83/412224183.db2.gz HGUMODHWODPPGK-DBIOUOCHSA-N 2 0 225.336 0.357 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665279960 412224765 /nfs/dbraw/zinc/22/47/65/412224765.db2.gz QFDSAIZZPJHHBU-QZQSVVMZSA-N 2 0 223.364 0.988 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000662573872 412226409 /nfs/dbraw/zinc/22/64/09/412226409.db2.gz WMMCMCUGLFQLJJ-VIFPVBQESA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)Cc1c[nH]cn1 ZINC000662584532 412228669 /nfs/dbraw/zinc/22/86/69/412228669.db2.gz CMDXHGSYYYPWMX-SCZZXKLOSA-N 2 0 224.308 0.742 20 0 BCADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000665283491 412229615 /nfs/dbraw/zinc/22/96/15/412229615.db2.gz OTHVHKQPKDQQPG-JHJVBQTASA-N 2 0 243.395 0.716 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000662585521 412229890 /nfs/dbraw/zinc/22/98/90/412229890.db2.gz XAFSMSYROGRKEM-OUAUKWLOSA-N 2 0 227.352 0.441 20 0 BCADRP C[NH2+]CC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662592124 412234281 /nfs/dbraw/zinc/23/42/81/412234281.db2.gz WRNBVMYULJLKOG-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP CCOC[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290679 412237143 /nfs/dbraw/zinc/23/71/43/412237143.db2.gz GVFNYMVPONQFMM-QMMMGPOBSA-N 2 0 240.307 0.156 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]([NH3+])C1CCC1 ZINC000662605954 412237423 /nfs/dbraw/zinc/23/74/23/412237423.db2.gz VLEAEKRIONOGCF-SECBINFHSA-N 2 0 213.325 0.310 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C1CC[NH+](C)CC1 ZINC000662605641 412237569 /nfs/dbraw/zinc/23/75/69/412237569.db2.gz PKWZVABWVAXSMH-UHFFFAOYSA-N 2 0 227.352 0.524 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]([NH3+])C1CCC1 ZINC000662605955 412237585 /nfs/dbraw/zinc/23/75/85/412237585.db2.gz VLEAEKRIONOGCF-VIFPVBQESA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N(C)CC(C)(C)[NH3+] ZINC000662605005 412237633 /nfs/dbraw/zinc/23/76/33/412237633.db2.gz JBZOWBKVIYHHCG-MRVPVSSYSA-N 2 0 201.314 0.310 20 0 BCADRP C[C@@H]1CCC[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291032 412237600 /nfs/dbraw/zinc/23/76/00/412237600.db2.gz RWNQTQXKNUWARC-PSASIEDQSA-N 2 0 236.319 0.919 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1[NH2+]CC1(C)C ZINC000662605464 412237919 /nfs/dbraw/zinc/23/79/19/412237919.db2.gz OPJBODNJZJJGHE-MRVPVSSYSA-N 2 0 213.325 0.180 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000662605623 412237955 /nfs/dbraw/zinc/23/79/55/412237955.db2.gz PJOIMGVAYXDAFJ-BXKDBHETSA-N 2 0 225.336 0.182 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)CCC1CC[NH2+]CC1 ZINC000662605078 412237962 /nfs/dbraw/zinc/23/79/62/412237962.db2.gz KUHLRDKFZGAWBQ-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)[C@@H]1C ZINC000665293042 412238056 /nfs/dbraw/zinc/23/80/56/412238056.db2.gz PSAFGCDKHNKUDJ-MRTMQBJTSA-N 2 0 236.319 0.775 20 0 BCADRP CCOC[C@@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290678 412238154 /nfs/dbraw/zinc/23/81/54/412238154.db2.gz GVFNYMVPONQFMM-MRVPVSSYSA-N 2 0 240.307 0.156 20 0 BCADRP CC(C)[C@@H](C(=O)N(C)CC(C)(C)[NH3+])[NH+](C)C ZINC000662607272 412238948 /nfs/dbraw/zinc/23/89/48/412238948.db2.gz KFFYAWJOHBVXAV-JTQLQIEISA-N 2 0 229.368 0.768 20 0 BCADRP CC[C@H]1CC[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665293292 412239277 /nfs/dbraw/zinc/23/92/77/412239277.db2.gz XIMBUDJUVZYBPU-WPRPVWTQSA-N 2 0 236.319 0.919 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N(C)CC(C)(C)[NH3+] ZINC000662611639 412240305 /nfs/dbraw/zinc/24/03/05/412240305.db2.gz BZBRKJLFDMUAJR-VIFPVBQESA-N 2 0 215.341 0.556 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)CC(C)(C)[NH3+] ZINC000662611588 412241016 /nfs/dbraw/zinc/24/10/16/412241016.db2.gz AVBQYTPQNCTITK-BDAKNGLRSA-N 2 0 215.341 0.556 20 0 BCADRP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000665295225 412243323 /nfs/dbraw/zinc/24/33/23/412243323.db2.gz ALBVPIUYSWQXBA-MNOVXSKESA-N 3 0 213.369 0.914 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662619703 412244496 /nfs/dbraw/zinc/24/44/96/412244496.db2.gz NTZPUKMUPLZWRQ-DCAQKATOSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662619287 412244576 /nfs/dbraw/zinc/24/45/76/412244576.db2.gz JSFKSIVVIFKWBC-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662619285 412245185 /nfs/dbraw/zinc/24/51/85/412245185.db2.gz JSFKSIVVIFKWBC-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC000662632325 412245812 /nfs/dbraw/zinc/24/58/12/412245812.db2.gz BZSZXKKHUYOPFZ-JQWIXIFHSA-N 2 0 229.368 0.960 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOCCF ZINC000665299601 412247403 /nfs/dbraw/zinc/24/74/03/412247403.db2.gz PZJKJMAWXNLGGT-MNOVXSKESA-N 2 0 218.316 0.950 20 0 BCADRP CCn1nccc1C[NH2+][C@H](CCC[NH3+])COC ZINC000665298883 412248135 /nfs/dbraw/zinc/24/81/35/412248135.db2.gz BUIAORWZXLUCDA-LLVKDONJSA-N 2 0 240.351 0.747 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCOCCF)C1 ZINC000665298931 412248274 /nfs/dbraw/zinc/24/82/74/412248274.db2.gz CHXVCZFRODBHAP-UWVGGRQHSA-N 2 0 204.289 0.832 20 0 BCADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])S(C)(=O)=O ZINC000665298835 412248661 /nfs/dbraw/zinc/24/86/61/412248661.db2.gz ALLXJMWPVRBGPO-UTLUCORTSA-N 2 0 234.365 0.137 20 0 BCADRP C[C@H](CCNC(=O)C[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000662629679 412248900 /nfs/dbraw/zinc/24/89/00/412248900.db2.gz AXVOBILSPYSQQS-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H](CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+])[NH+](C)C ZINC000662632715 412250288 /nfs/dbraw/zinc/25/02/88/412250288.db2.gz GGVJHUARTKJZKH-SDDRHHMPSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](CCNC(=O)C[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000662632349 412250649 /nfs/dbraw/zinc/25/06/49/412250649.db2.gz CKNNHRVXWWEBFL-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H](CCNC(=O)[C@@]1(C)CC[NH2+]C1)[NH+](C)C ZINC000662635020 412251477 /nfs/dbraw/zinc/25/14/77/412251477.db2.gz TYBIQCWSDRMXDV-PWSUYJOCSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662636009 412252673 /nfs/dbraw/zinc/25/26/73/412252673.db2.gz XHGCQDMDMPJKRV-RKDXNWHRSA-N 2 0 201.314 0.180 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662795832 412305103 /nfs/dbraw/zinc/30/51/03/412305103.db2.gz RBIDIWNNFWUYMH-XYPYZODXSA-N 2 0 227.352 0.524 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000662793369 412305407 /nfs/dbraw/zinc/30/54/07/412305407.db2.gz GMOJYOJMZMHECN-QJPTWQEYSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CC1([NH3+])CC1 ZINC000662794183 412305494 /nfs/dbraw/zinc/30/54/94/412305494.db2.gz PKZLTKSSINAYPB-WDEREUQCSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662813630 412308391 /nfs/dbraw/zinc/30/83/91/412308391.db2.gz BOHZQKUEISMUKR-IWSPIJDZSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@@H]1CCN(C(=O)CC2([NH3+])CC2)C[C@@H]1C[NH3+] ZINC000662814929 412308914 /nfs/dbraw/zinc/30/89/14/412308914.db2.gz RJRUJVMSPAIBTK-ZJUUUORDSA-N 2 0 225.336 0.311 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H](CC)[NH2+]C ZINC000662822282 412311607 /nfs/dbraw/zinc/31/16/07/412311607.db2.gz MAERTWMJUZFZJO-NSHDSACASA-N 2 0 229.368 0.785 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CC1([NH3+])CC1)C2 ZINC000662830136 412314112 /nfs/dbraw/zinc/31/41/12/412314112.db2.gz YVGYNDGNRIFDHU-JQWIXIFHSA-N 2 0 237.347 0.455 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000662828597 412314371 /nfs/dbraw/zinc/31/43/71/412314371.db2.gz FYOSWEDYXDHLFX-JTQLQIEISA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662835665 412316194 /nfs/dbraw/zinc/31/61/94/412316194.db2.gz RJFCXXIHBMZABX-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662835666 412317537 /nfs/dbraw/zinc/31/75/37/412317537.db2.gz RJFCXXIHBMZABX-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000662841840 412318316 /nfs/dbraw/zinc/31/83/16/412318316.db2.gz CEDALFJBZLESKY-MRVPVSSYSA-N 2 0 215.341 0.556 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662842811 412318700 /nfs/dbraw/zinc/31/87/00/412318700.db2.gz DCDZNJPYYHJQSI-UHFFFAOYSA-N 2 0 239.363 0.844 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C1([NH3+])CCCC1 ZINC000662842055 412318887 /nfs/dbraw/zinc/31/88/87/412318887.db2.gz FGPWJUCJJXKYAZ-UHFFFAOYSA-N 2 0 213.325 0.454 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662845329 412320073 /nfs/dbraw/zinc/32/00/73/412320073.db2.gz OCZNYSHOXJBTOZ-SECBINFHSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CC2)C1 ZINC000662854720 412324099 /nfs/dbraw/zinc/32/40/99/412324099.db2.gz UNPKHYIOFGKGOZ-SECBINFHSA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CC2)C1 ZINC000662854721 412324647 /nfs/dbraw/zinc/32/46/47/412324647.db2.gz UNPKHYIOFGKGOZ-VIFPVBQESA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)([NH3+])CCC(=O)NCC1([NH3+])CCCC1 ZINC000662864385 412329203 /nfs/dbraw/zinc/32/92/03/412329203.db2.gz BMHVRNXYRMSIPX-UHFFFAOYSA-N 2 0 227.352 0.892 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662864882 412329275 /nfs/dbraw/zinc/32/92/75/412329275.db2.gz WLTUNFUEUVRROH-JTQLQIEISA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]C1(CNC(=O)C2([NH3+])CCCC2)CCCC1 ZINC000662864758 412329429 /nfs/dbraw/zinc/32/94/29/412329429.db2.gz FYBHJDDHUVSLDS-UHFFFAOYSA-N 2 0 225.336 0.646 20 0 BCADRP C[C@@]1(C(=O)N2CC3CC2(C[NH3+])C3)CCC[NH2+]C1 ZINC000662876509 412333353 /nfs/dbraw/zinc/33/33/53/412333353.db2.gz YNEDLBNHOYEBNQ-YXMLORGKSA-N 2 0 237.347 0.326 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC(F)F)[C@H](C[NH3+])C1 ZINC000662896236 412338409 /nfs/dbraw/zinc/33/84/09/412338409.db2.gz ISJVOYPINPEUCU-HRDYMLBCSA-N 2 0 249.305 0.555 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132888663 412343458 /nfs/dbraw/zinc/34/34/58/412343458.db2.gz LFCLZMVLVCROBQ-GMTAPVOTSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@]1(C(=O)NCC23CC(C2)C[NH2+]3)CCC[NH2+]C1 ZINC000662922222 412346006 /nfs/dbraw/zinc/34/60/06/412346006.db2.gz IHHXNJGWSXJQSU-YDGIUTOCSA-N 2 0 237.347 0.244 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662923520 412346332 /nfs/dbraw/zinc/34/63/32/412346332.db2.gz WYZNYEGZYNVTLF-UHFFFAOYSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000662924020 412346878 /nfs/dbraw/zinc/34/68/78/412346878.db2.gz WVQPVSYFSSBWKB-JJOYANBFSA-N 2 0 237.347 0.243 20 0 BCADRP CC(C)([NH3+])CCC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662925187 412347374 /nfs/dbraw/zinc/34/73/74/412347374.db2.gz OVYKGBGTMBLLEP-UHFFFAOYSA-N 2 0 225.336 0.372 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662944957 412350722 /nfs/dbraw/zinc/35/07/22/412350722.db2.gz DBZQMMPFJNGRTN-PSASIEDQSA-N 2 0 238.266 0.005 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H](C)C[NH2+]C ZINC000662953950 412352063 /nfs/dbraw/zinc/35/20/63/412352063.db2.gz RRGVELSHVZRWFY-SCZZXKLOSA-N 2 0 201.314 0.228 20 0 BCADRP C[C@@]1(NC(=O)CC2([NH3+])CCC2)CC[NH2+]C1 ZINC000663004165 412367696 /nfs/dbraw/zinc/36/76/96/412367696.db2.gz LKQJFJRLEDDLTJ-SNVBAGLBSA-N 2 0 211.309 0.126 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000662953751 412353462 /nfs/dbraw/zinc/35/34/62/412353462.db2.gz PEWRMCSRZBIPMD-WOPDTQHZSA-N 2 0 241.379 0.736 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000662964437 412356692 /nfs/dbraw/zinc/35/66/92/412356692.db2.gz AYTXSHYPJDQXQU-VHSXEESVSA-N 2 0 225.336 0.100 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)C[NH2+]C ZINC000662964370 412356726 /nfs/dbraw/zinc/35/67/26/412356726.db2.gz DFGGYCRUKFRCMH-UTLUCORTSA-N 2 0 213.325 0.099 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000662964438 412356842 /nfs/dbraw/zinc/35/68/42/412356842.db2.gz AYTXSHYPJDQXQU-ZJUUUORDSA-N 2 0 225.336 0.100 20 0 BCADRP CC[C@]1(C(=O)N[C@H](C)C[NH2+]C)CCC[NH2+]1 ZINC000662966694 412358943 /nfs/dbraw/zinc/35/89/43/412358943.db2.gz UQYDXBRDWRWBLH-MWLCHTKSSA-N 2 0 213.325 0.243 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662968658 412359890 /nfs/dbraw/zinc/35/98/90/412359890.db2.gz FYDUTRBNVXPBKB-SNVBAGLBSA-N 2 0 247.342 0.670 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2nccn2C1 ZINC000662968138 412359921 /nfs/dbraw/zinc/35/99/21/412359921.db2.gz FOPJLPTXFPSBJX-UWVGGRQHSA-N 2 0 236.319 0.170 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662970341 412360318 /nfs/dbraw/zinc/36/03/18/412360318.db2.gz WJOTVBLHARPQAE-QWRGUYRKSA-N 2 0 229.368 0.722 20 0 BCADRP C[NH2+]CC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662972857 412361988 /nfs/dbraw/zinc/36/19/88/412361988.db2.gz SEVXXJBDAKSDCR-UHFFFAOYSA-N 2 0 239.363 0.444 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662748081 412290037 /nfs/dbraw/zinc/29/00/37/412290037.db2.gz KZWFTBVMVVXWRW-OPRDCNLKSA-N 2 0 231.315 0.272 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662747900 412290437 /nfs/dbraw/zinc/29/04/37/412290437.db2.gz GFMVRPNWCARWJG-IWSPIJDZSA-N 2 0 217.288 0.012 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CC1([NH3+])CC1 ZINC000662754360 412291190 /nfs/dbraw/zinc/29/11/90/412291190.db2.gz LMQOSCTXAVMFGX-ONGXEEELSA-N 2 0 237.347 0.467 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662750026 412291547 /nfs/dbraw/zinc/29/15/47/412291547.db2.gz NSSHRDCFKPZOES-IJLUTSLNSA-N 2 0 239.363 0.524 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662750619 412291868 /nfs/dbraw/zinc/29/18/68/412291868.db2.gz VGPMKMBQJILKRP-XYPYZODXSA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+][C@H](CNC(=O)C1([NH2+]C2CC2)CCC1)C1CC1 ZINC000662763356 412293523 /nfs/dbraw/zinc/29/35/23/412293523.db2.gz YCZZOECLFXTYDO-LLVKDONJSA-N 2 0 237.347 0.515 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662763534 412293821 /nfs/dbraw/zinc/29/38/21/412293821.db2.gz FHTKOMLYLRKNFS-JTQLQIEISA-N 2 0 247.342 0.799 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)Nc2cnc3c(c2)C[NH2+]CC3)C1 ZINC000662765429 412295203 /nfs/dbraw/zinc/29/52/03/412295203.db2.gz ZRYUPQLGRNIKQR-CZMCAQCFSA-N 2 0 246.314 0.403 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)CC2([NH3+])CC2)cc1 ZINC000662767381 412296176 /nfs/dbraw/zinc/29/61/76/412296176.db2.gz VGGZDTWLTVYCEQ-UHFFFAOYSA-N 2 0 219.288 0.965 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662771824 412297273 /nfs/dbraw/zinc/29/72/73/412297273.db2.gz BLZMCGMJQDEXIQ-DCAQKATOSA-N 2 0 225.336 0.311 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000662776697 412298845 /nfs/dbraw/zinc/29/88/45/412298845.db2.gz YPTOPQBHNCXHGS-UTLUCORTSA-N 2 0 213.325 0.193 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000662777422 412299064 /nfs/dbraw/zinc/29/90/64/412299064.db2.gz BRUMQLPGZFLVJV-GUBZILKMSA-N 2 0 243.326 0.191 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000662776492 412299148 /nfs/dbraw/zinc/29/91/48/412299148.db2.gz XNKFJZFIBABXPU-DBIOUOCHSA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+]C1(CC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000662777178 412299169 /nfs/dbraw/zinc/29/91/69/412299169.db2.gz FPVCLODGOKEKPR-GFCCVEGCSA-N 2 0 237.347 0.470 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC(C)(C)CCC[NH3+] ZINC000662779288 412299652 /nfs/dbraw/zinc/29/96/52/412299652.db2.gz MHDMMKZKMUQCBQ-SECBINFHSA-N 2 0 215.341 0.618 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000662780934 412299851 /nfs/dbraw/zinc/29/98/51/412299851.db2.gz SNMZQFVDVTUBFS-XZUYRWCXSA-N 2 0 239.363 0.489 20 0 BCADRP CN(C(=O)CC1([NH3+])CC1)C1(C[NH3+])CCC1 ZINC000662783684 412300497 /nfs/dbraw/zinc/30/04/97/412300497.db2.gz GVIMZPBKSPFJOX-UHFFFAOYSA-N 2 0 211.309 0.208 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662782601 412300609 /nfs/dbraw/zinc/30/06/09/412300609.db2.gz FBVQFLNCMGDNOG-SNVBAGLBSA-N 2 0 239.363 0.892 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662783736 412301267 /nfs/dbraw/zinc/30/12/67/412301267.db2.gz QXCATHTXYVEXDS-RQJHMYQMSA-N 2 0 240.307 0.334 20 0 BCADRP C[C@@H](NC(=O)c1cc(C(C)(C)[NH3+])no1)[C@H](C)[NH3+] ZINC000662783734 412301340 /nfs/dbraw/zinc/30/13/40/412301340.db2.gz QXCATHTXYVEXDS-NKWVEPMBSA-N 2 0 240.307 0.334 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662784494 412301388 /nfs/dbraw/zinc/30/13/88/412301388.db2.gz QJUOLAYFXRJDNI-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662792990 412305057 /nfs/dbraw/zinc/30/50/57/412305057.db2.gz QGCGETLXGOLIMU-IJLUTSLNSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@@]1(NC(=O)CCC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000663009178 412368520 /nfs/dbraw/zinc/36/85/20/412368520.db2.gz AUEZCWSGZYWBQB-CYBMUJFWSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH2+]C2)CC[N@@H+]1C ZINC000663013106 412371139 /nfs/dbraw/zinc/37/11/39/412371139.db2.gz JHOOLNJQJMBYDS-CKYFFXLPSA-N 2 0 225.336 0.195 20 0 BCADRP CN(C(=O)C[C@H]([NH3+])c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000178806829 172313739 /nfs/dbraw/zinc/31/37/39/172313739.db2.gz RIHHHSIITWBOJV-STQMWFEESA-N 2 0 247.342 0.897 20 0 BCADRP CN(C(=O)C[C@H]1CCC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000364468741 172314356 /nfs/dbraw/zinc/31/43/56/172314356.db2.gz RPPVMQYVEMUYLG-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@H](C[NH3+])C1CC1 ZINC000332186706 172327796 /nfs/dbraw/zinc/32/77/96/172327796.db2.gz YCCDRXIKIRYBMQ-IJLUTSLNSA-N 2 0 239.363 0.700 20 0 BCADRP CN(C(=O)[C@H]1CCNCC1(F)F)C1CC([NH3+])C1 ZINC000336211672 172333442 /nfs/dbraw/zinc/33/34/42/172333442.db2.gz FHWXRFLXWBIMJI-AMDVSUOASA-N 2 0 247.289 0.179 20 0 BCADRP CN(C(=O)[C@](C)([NH3+])c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000195232331 172335486 /nfs/dbraw/zinc/33/54/86/172335486.db2.gz YATREOPSHRBHCB-TZMCWYRMSA-N 2 0 247.342 0.681 20 0 BCADRP CN(C(=O)[C@](C)([NH3+])c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000195232350 172335837 /nfs/dbraw/zinc/33/58/37/172335837.db2.gz YATREOPSHRBHCB-GXTWGEPZSA-N 2 0 247.342 0.681 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000309395276 172358092 /nfs/dbraw/zinc/35/80/92/172358092.db2.gz STSRGIOOJSEEJT-GHMZBOCLSA-N 2 0 225.336 0.006 20 0 BCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000132293173 172383605 /nfs/dbraw/zinc/38/36/05/172383605.db2.gz KIVFNQBQMZKCLD-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042171253 172395161 /nfs/dbraw/zinc/39/51/61/172395161.db2.gz FSCRZZXARWGPOB-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C[NH2+]CC1CC1 ZINC000040807258 172395295 /nfs/dbraw/zinc/39/52/95/172395295.db2.gz PNAYJTURVNAAID-UHFFFAOYSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)C1([NH3+])CCCC1 ZINC000037615971 172421968 /nfs/dbraw/zinc/42/19/68/172421968.db2.gz ZZDVVOYYNOPORE-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH+](C)CCCCNC(=O)C1(C[NH3+])CCCC1 ZINC000045708534 172426587 /nfs/dbraw/zinc/42/65/87/172426587.db2.gz OHIVOLHEGLJZNJ-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP C[NH+](C)CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000368598163 172461081 /nfs/dbraw/zinc/46/10/81/172461081.db2.gz MXUFKGFIYDYYLN-WCQYABFASA-N 2 0 239.363 0.444 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CC[NH3+])C1 ZINC000237182432 172525505 /nfs/dbraw/zinc/52/55/05/172525505.db2.gz SVXNNHQYWNXMIJ-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)CCC[NH3+])C1CC1 ZINC000237190258 172533765 /nfs/dbraw/zinc/53/37/65/172533765.db2.gz QMRBSRBVCMWWDH-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP CN(CC(C)(C)[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000335604843 172625585 /nfs/dbraw/zinc/62/55/85/172625585.db2.gz UUTREAZBWIRCAI-ZACCUICWSA-N 2 0 211.353 0.939 20 0 BCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CC[NH3+] ZINC000237075588 172777727 /nfs/dbraw/zinc/77/77/27/172777727.db2.gz GSQCLZYJQMNTAJ-LLVKDONJSA-N 2 0 227.352 0.668 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000044526619 172986005 /nfs/dbraw/zinc/98/60/05/172986005.db2.gz RSZRQOSVLGYSPB-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH2+]CC1 ZINC000082654356 173006041 /nfs/dbraw/zinc/00/60/41/173006041.db2.gz FETVBEKOIIKHNV-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000246866890 173011092 /nfs/dbraw/zinc/01/10/92/173011092.db2.gz JHTPKFYUIGVNHV-GHMZBOCLSA-N 2 0 225.336 0.278 20 0 BCADRP C[N@@H+]1CCCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000044751518 173012337 /nfs/dbraw/zinc/01/23/37/173012337.db2.gz OMBSWVUWKSQYDO-UHFFFAOYSA-N 2 0 213.325 0.135 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000227861386 173014132 /nfs/dbraw/zinc/01/41/32/173014132.db2.gz FMEZWDHLOLJFNI-WDEREUQCSA-N 2 0 225.336 0.278 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000062889905 173015070 /nfs/dbraw/zinc/01/50/70/173015070.db2.gz RDWCHNQNNTYNHE-GFCCVEGCSA-N 2 0 225.336 0.150 20 0 BCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000336321131 173022274 /nfs/dbraw/zinc/02/22/74/173022274.db2.gz HTVWZWABCFCEMV-NWDGAFQWSA-N 2 0 237.347 0.387 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(O)CC1 ZINC000305146957 173026747 /nfs/dbraw/zinc/02/67/47/173026747.db2.gz YQWCFMIEJIZHBQ-LLVKDONJSA-N 2 0 212.337 0.927 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@H]1CCC[NH+](C)C1 ZINC000357090796 173041398 /nfs/dbraw/zinc/04/13/98/173041398.db2.gz RXQBGVNADBJAQS-LBPRGKRZSA-N 3 0 229.368 0.235 20 0 BCADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)C1(CO)CC1 ZINC000353021012 173050411 /nfs/dbraw/zinc/05/04/11/173050411.db2.gz JENVSJGRHQUOJQ-NSHDSACASA-N 2 0 212.337 0.927 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000040673647 173044041 /nfs/dbraw/zinc/04/40/41/173044041.db2.gz DMQAXSAXUNVKPW-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000226394219 173056233 /nfs/dbraw/zinc/05/62/33/173056233.db2.gz GPANPSBEYOBSPM-JQWIXIFHSA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C3([NH3+])CC3)CC[C@H]21 ZINC000227333548 173058159 /nfs/dbraw/zinc/05/81/59/173058159.db2.gz UBZGJGYVHUHOCN-WDEREUQCSA-N 2 0 237.347 0.420 20 0 BCADRP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C1([NH3+])CC1 ZINC000371262927 173059382 /nfs/dbraw/zinc/05/93/82/173059382.db2.gz RRHFEBNWZHQZOO-QWRGUYRKSA-N 2 0 237.347 0.563 20 0 BCADRP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCC[NH3+] ZINC000371261586 173060050 /nfs/dbraw/zinc/06/00/50/173060050.db2.gz AWGADRZJBCYAAS-NWDGAFQWSA-N 2 0 239.363 0.811 20 0 BCADRP C[N@@H+]1CCN(C(=O)C[NH3+])C2(CCCCC2)C1 ZINC000237134274 173066680 /nfs/dbraw/zinc/06/66/80/173066680.db2.gz UDGJTYQJHNVCGO-UHFFFAOYSA-N 2 0 225.336 0.422 20 0 BCADRP CN1CCO[C@H](CNc2ccccn2)C1 ZINC000082643956 173108703 /nfs/dbraw/zinc/10/87/03/173108703.db2.gz SHHNQPDEDWZLPQ-SNVBAGLBSA-N 2 0 207.277 0.824 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000062855959 173114352 /nfs/dbraw/zinc/11/43/52/173114352.db2.gz GLLMLBMRASTLMW-WCQYABFASA-N 2 0 239.363 0.444 20 0 BCADRP CN(CCC[NH+]1CCCC1)[C@@H]1CCN(C)C1=O ZINC000336716728 173117393 /nfs/dbraw/zinc/11/73/93/173117393.db2.gz WBAALTPDUJUOIT-GFCCVEGCSA-N 2 0 239.363 0.635 20 0 BCADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC3OCCO3)C2)C1 ZINC000366535292 173139941 /nfs/dbraw/zinc/13/99/41/173139941.db2.gz OLXJCVSVWRUXHU-CYBMUJFWSA-N 2 0 240.347 0.777 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000044751815 173145626 /nfs/dbraw/zinc/14/56/26/173145626.db2.gz JLEMJOMBEMISFR-SECBINFHSA-N 2 0 213.325 0.039 20 0 BCADRP C[N@@H+]1CC[C@]2(CC[NH+](CC(C)(C)O)C2)C1 ZINC000308962021 173168530 /nfs/dbraw/zinc/16/85/30/173168530.db2.gz GQUHLZAJCFECFA-LBPRGKRZSA-N 2 0 212.337 0.785 20 0 BCADRP CN1C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])CCC1=O ZINC000250640027 173195664 /nfs/dbraw/zinc/19/56/64/173195664.db2.gz SWFMGFZMEUDIFH-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP CNC(=[NH2+])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062985230 173209132 /nfs/dbraw/zinc/20/91/32/173209132.db2.gz SOVBEQYIPWCMBU-JTQLQIEISA-N 2 0 210.325 0.701 20 0 BCADRP CNC(=[NH2+])NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000360285822 173210119 /nfs/dbraw/zinc/21/01/19/173210119.db2.gz VQDTWDNYAJBCCT-QWRGUYRKSA-N 2 0 240.351 0.231 20 0 BCADRP CNC(=O)CCC[N@H+](C)CC(C)(C)[NH3+] ZINC000308995125 173237885 /nfs/dbraw/zinc/23/78/85/173237885.db2.gz MHSNBQZLKYQOHO-UHFFFAOYSA-N 2 0 201.314 0.182 20 0 BCADRP CNC(=O)CC[N@H+](C)CCCn1ccnc1C ZINC000270691989 173248044 /nfs/dbraw/zinc/24/80/44/173248044.db2.gz WJOIKKPMSGDIIT-UHFFFAOYSA-N 2 0 238.335 0.650 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271872371 173280100 /nfs/dbraw/zinc/28/01/00/173280100.db2.gz MXTCXSKHFOPKMW-SNVBAGLBSA-N 2 0 225.336 0.363 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271872369 173281685 /nfs/dbraw/zinc/28/16/85/173281685.db2.gz MXTCXSKHFOPKMW-JTQLQIEISA-N 2 0 225.336 0.363 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000309983662 173281726 /nfs/dbraw/zinc/28/17/26/173281726.db2.gz XIJQEOKGMNASEG-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000356796119 173281740 /nfs/dbraw/zinc/28/17/40/173281740.db2.gz YQSGUEGXJKULLO-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000323065201 173282831 /nfs/dbraw/zinc/28/28/31/173282831.db2.gz UZCPGQSBQFCALQ-HBNTYKKESA-N 2 0 239.363 0.726 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000336761115 173282906 /nfs/dbraw/zinc/28/29/06/173282906.db2.gz KGJFXHLLVQCTEM-OUAUKWLOSA-N 2 0 227.352 0.441 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000322662368 173283050 /nfs/dbraw/zinc/28/30/50/173283050.db2.gz AQBZDNLPKOETKU-SDDRHHMPSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+]CC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000037825051 173325060 /nfs/dbraw/zinc/32/50/60/173325060.db2.gz AUQDLBASPKSZGQ-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP C[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000193131026 173325485 /nfs/dbraw/zinc/32/54/85/173325485.db2.gz DCWOANOVQADHIX-ZJUUUORDSA-N 2 0 213.325 0.004 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000037824266 173326672 /nfs/dbraw/zinc/32/66/72/173326672.db2.gz FVXHOVTWGRWNJE-NSHDSACASA-N 2 0 225.336 0.293 20 0 BCADRP C[NH2+]CC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000374464637 173328198 /nfs/dbraw/zinc/32/81/98/173328198.db2.gz KUUFGECJGADFES-OLZOCXBDSA-N 2 0 247.342 0.407 20 0 BCADRP C[NH2+]CC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000237220775 173329311 /nfs/dbraw/zinc/32/93/11/173329311.db2.gz GWYNPEHUCQNGLG-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH2+]CC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000237235646 173330414 /nfs/dbraw/zinc/33/04/14/173330414.db2.gz FVIRKSPXHGTWHP-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000040827145 173330735 /nfs/dbraw/zinc/33/07/35/173330735.db2.gz DRDKMGROTVHQGZ-VIFPVBQESA-N 2 0 241.360 0.686 20 0 BCADRP C[NH2+]CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000035018053 173332526 /nfs/dbraw/zinc/33/25/26/173332526.db2.gz VJSYQUHCYILAFU-ZDUSSCGKSA-N 2 0 247.342 0.597 20 0 BCADRP C[NH2+]CC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375991472 173335459 /nfs/dbraw/zinc/33/54/59/173335459.db2.gz MJKKNQRTUUTGBH-UHFFFAOYSA-N 2 0 219.288 0.490 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000375911485 173339371 /nfs/dbraw/zinc/33/93/71/173339371.db2.gz GXDVNVORBMOYBC-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]CCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000367649697 173339406 /nfs/dbraw/zinc/33/94/06/173339406.db2.gz WJXJCPACKJEGAL-SNVBAGLBSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]CCC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000309547309 173339650 /nfs/dbraw/zinc/33/96/50/173339650.db2.gz CCXZDTVJYDFUIV-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973213 173343592 /nfs/dbraw/zinc/34/35/92/173343592.db2.gz QRHMJFHBDYNZTA-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000373615134 173343577 /nfs/dbraw/zinc/34/35/77/173343577.db2.gz HOXCKEZPQDNBKM-DGCLKSJQSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000369914729 173343605 /nfs/dbraw/zinc/34/36/05/173343605.db2.gz XVDDBADFOAISOU-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000037812759 173343971 /nfs/dbraw/zinc/34/39/71/173343971.db2.gz RUIWNXKISCWRCF-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000373615136 173343998 /nfs/dbraw/zinc/34/39/98/173343998.db2.gz HOXCKEZPQDNBKM-YPMHNXCESA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000037812650 173344007 /nfs/dbraw/zinc/34/40/07/173344007.db2.gz GFARNKOIMPLEBX-NSHDSACASA-N 2 0 225.336 0.293 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000376454279 173344040 /nfs/dbraw/zinc/34/40/40/173344040.db2.gz KMJSMRZBUJGUDN-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000373615135 173344090 /nfs/dbraw/zinc/34/40/90/173344090.db2.gz HOXCKEZPQDNBKM-WCQYABFASA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@H](C)[NH+](C)C ZINC000038089338 173344497 /nfs/dbraw/zinc/34/44/97/173344497.db2.gz VBYCHZWCRAEEBB-VIFPVBQESA-N 2 0 201.314 0.052 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000237205893 173344567 /nfs/dbraw/zinc/34/45/67/173344567.db2.gz IQJZOSRFTMQQPE-GHMZBOCLSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000037610783 173344612 /nfs/dbraw/zinc/34/46/12/173344612.db2.gz JIQYHIQTBLEGBJ-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000237214597 173345103 /nfs/dbraw/zinc/34/51/03/173345103.db2.gz SJYBWGSVUHMJGL-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000237214696 173345548 /nfs/dbraw/zinc/34/55/48/173345548.db2.gz SJYBWGSVUHMJGL-QWRGUYRKSA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]CCCN(C)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000309508918 173345916 /nfs/dbraw/zinc/34/59/16/173345916.db2.gz WSXUHFCIJWWFIL-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]CCC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000042438676 173346935 /nfs/dbraw/zinc/34/69/35/173346935.db2.gz XQRVOPHSFSWGFJ-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000083351453 173348152 /nfs/dbraw/zinc/34/81/52/173348152.db2.gz DYGVHVMKHYPQGS-NSHDSACASA-N 2 0 221.304 0.412 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000368127232 173351745 /nfs/dbraw/zinc/35/17/45/173351745.db2.gz WXBHTIXRQCIHOU-GHMZBOCLSA-N 2 0 227.352 0.298 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000069803323 173351878 /nfs/dbraw/zinc/35/18/78/173351878.db2.gz LRDILIKLAKGXQT-LLVKDONJSA-N 2 0 213.325 0.054 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000249860911 173352197 /nfs/dbraw/zinc/35/21/97/173352197.db2.gz YPGDDNCQKVUJHS-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000372433858 173352332 /nfs/dbraw/zinc/35/23/32/173352332.db2.gz QRFZFKOOUZQTKK-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000070304849 173352341 /nfs/dbraw/zinc/35/23/41/173352341.db2.gz SMCBFJKKZKIGDO-GFCCVEGCSA-N 2 0 235.331 0.234 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000375069922 173371401 /nfs/dbraw/zinc/37/14/01/173371401.db2.gz DETPRDHANIBMBX-UTLUCORTSA-N 2 0 231.315 0.000 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000364643655 173373019 /nfs/dbraw/zinc/37/30/19/173373019.db2.gz WLDDWGSGEYKNAX-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368184062 173374024 /nfs/dbraw/zinc/37/40/24/173374024.db2.gz ITDOZMBEXUOIET-GARJFASQSA-N 2 0 225.336 0.052 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000092133673 173374057 /nfs/dbraw/zinc/37/40/57/173374057.db2.gz XXKKDXNNWRLNKR-JTQLQIEISA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251641870 173374253 /nfs/dbraw/zinc/37/42/53/173374253.db2.gz FYJQDRFOWVEZEX-TUAOUCFPSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251148087 173374654 /nfs/dbraw/zinc/37/46/54/173374654.db2.gz XTULJBRPJQIWNS-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000237347884 173374939 /nfs/dbraw/zinc/37/49/39/173374939.db2.gz JXBNGBXERPDDQQ-CMPLNLGQSA-N 2 0 229.368 0.722 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000092132817 173374975 /nfs/dbraw/zinc/37/49/75/173374975.db2.gz AXNCPKAZJCHMCE-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000237306484 173378918 /nfs/dbraw/zinc/37/89/18/173378918.db2.gz DVNYNWVCWSPNJI-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]C[C@H]1CCN(CC(=O)NC2CCCC2)C1 ZINC000071147557 173381058 /nfs/dbraw/zinc/38/10/58/173381058.db2.gz HHPKJHSWLSGUMN-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000234406834 173381813 /nfs/dbraw/zinc/38/18/13/173381813.db2.gz CCXWOSVGSYBAKA-VXGBXAGGSA-N 2 0 212.337 0.954 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2C)C1 ZINC000294704655 173435384 /nfs/dbraw/zinc/43/53/84/173435384.db2.gz GXOFSHZCQGQZLR-DGCLKSJQSA-N 2 0 247.342 0.815 20 0 BCADRP COC1CC([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000336754118 174017808 /nfs/dbraw/zinc/01/78/08/174017808.db2.gz FJALHZSLCNCKQF-UHFFFAOYSA-N 2 0 228.336 0.210 20 0 BCADRP COCCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336713401 174193960 /nfs/dbraw/zinc/19/39/60/174193960.db2.gz VMGVLLFAKOFIPM-NEPJUHHUSA-N 2 0 212.337 0.954 20 0 BCADRP COCCC[N@H+](CCOC)CC1CC[NH2+]CC1 ZINC000042425401 174224205 /nfs/dbraw/zinc/22/42/05/174224205.db2.gz QBSKYFVZWBUGGS-UHFFFAOYSA-N 2 0 244.379 0.971 20 0 BCADRP COCC[N@H+](C)CCC[NH2+]C1CC(OC)C1 ZINC000336678403 174276107 /nfs/dbraw/zinc/27/61/07/174276107.db2.gz BRIROKZMHPSWBT-UHFFFAOYSA-N 2 0 230.352 0.722 20 0 BCADRP COCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843401 174279368 /nfs/dbraw/zinc/27/93/68/174279368.db2.gz BEHAAHPIYSPHMX-LLVKDONJSA-N 2 0 200.326 0.906 20 0 BCADRP COCC[NH+](CCOC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000234635537 174296070 /nfs/dbraw/zinc/29/60/70/174296070.db2.gz JVWBVOKDEJPIOG-QWHCGFSZSA-N 2 0 244.379 0.969 20 0 BCADRP COCCOCCN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226971932 174352947 /nfs/dbraw/zinc/35/29/47/174352947.db2.gz XXYLDXYOIWYYFH-NEPJUHHUSA-N 2 0 230.352 0.709 20 0 BCADRP COCCOCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000031993301 174354815 /nfs/dbraw/zinc/35/48/15/174354815.db2.gz MFOHLLINMWKQEQ-LBPRGKRZSA-N 2 0 228.336 0.335 20 0 BCADRP COCCOCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122324681 174354823 /nfs/dbraw/zinc/35/48/23/174354823.db2.gz VAPYMSDQXMMPJF-QWRGUYRKSA-N 2 0 216.325 0.319 20 0 BCADRP COCCOCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000031993298 174354906 /nfs/dbraw/zinc/35/49/06/174354906.db2.gz MFOHLLINMWKQEQ-GFCCVEGCSA-N 2 0 228.336 0.335 20 0 BCADRP COCC[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000302682279 174401821 /nfs/dbraw/zinc/40/18/21/174401821.db2.gz QKDCDAFCQIHTHV-STQMWFEESA-N 2 0 241.379 0.391 20 0 BCADRP C[C@H](CC(=O)N(C)[C@@H](C)C[NH3+])C1CC[NH2+]CC1 ZINC000237501990 175708765 /nfs/dbraw/zinc/70/87/65/175708765.db2.gz WGLHUWXQKPKEGL-MNOVXSKESA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)[NH+](C)C ZINC000308872355 175725570 /nfs/dbraw/zinc/72/55/70/175725570.db2.gz ZMOVRQJEMOZNLF-BQBZGAKWSA-N 2 0 223.267 0.035 20 0 BCADRP C[C@@H]([NH2+]Cc1nncn1C)C1CC[NH+](C)CC1 ZINC000038007737 175908733 /nfs/dbraw/zinc/90/87/33/175908733.db2.gz NRBGYPDNBXKGAO-SNVBAGLBSA-N 2 0 237.351 0.635 20 0 BCADRP C[C@@H](c1ccncc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148527 176034162 /nfs/dbraw/zinc/03/41/62/176034162.db2.gz ACIFYFQEYZCSGN-ZDUSSCGKSA-N 2 0 248.374 0.980 20 0 BCADRP O[C@H](C[NH2+]C[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000037859675 487632480 /nfs/dbraw/zinc/63/24/80/487632480.db2.gz KTPGNRHVZRDSAV-NEPJUHHUSA-N 2 0 228.336 0.212 20 0 BCADRP C[C@@H]1C(=O)NCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000252418954 176046895 /nfs/dbraw/zinc/04/68/95/176046895.db2.gz XLUOOJCSUMSVQS-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)CC[NH3+])C1 ZINC000237399824 176097700 /nfs/dbraw/zinc/09/77/00/176097700.db2.gz FJXWMIIHQUZUHF-GFCCVEGCSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000336756681 176131775 /nfs/dbraw/zinc/13/17/75/176131775.db2.gz JNNYRFLIJIXZKG-WOPDTQHZSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@@H]1CC[N@H+](CCN2CC[NH2+]CC2)[C@@H]1C ZINC000335653178 176171160 /nfs/dbraw/zinc/17/11/60/176171160.db2.gz WCIRDCCNTNBJFF-VXGBXAGGSA-N 2 0 211.353 0.622 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000249881321 176185014 /nfs/dbraw/zinc/18/50/14/176185014.db2.gz HPLBSICUCPSRKA-KKOKHZNYSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1([NH3+])CCCC1 ZINC000186836627 176185265 /nfs/dbraw/zinc/18/52/65/176185265.db2.gz RRSNQJGBDHOSEU-ZJUUUORDSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000186753099 176185573 /nfs/dbraw/zinc/18/55/73/176185573.db2.gz QJQQUOYFELTGDU-KGYLQXTDSA-N 2 0 247.342 0.801 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000186752981 176186464 /nfs/dbraw/zinc/18/64/64/176186464.db2.gz OGYNKTKQUGMLEH-WZRBSPASSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000127159314 176186549 /nfs/dbraw/zinc/18/65/49/176186549.db2.gz SJBLJAHBVNDXMC-ZYHUDNBSSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000367509396 176186999 /nfs/dbraw/zinc/18/69/99/176186999.db2.gz ZCCZLRZWMCRNER-BFLSOPEQSA-N 2 0 243.326 0.191 20 0 BCADRP C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CCN(C)C2)C1 ZINC000336756697 176213538 /nfs/dbraw/zinc/21/35/38/176213538.db2.gz JOFXAEZOUQLNDW-UTUOFQBUSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000043497688 176221760 /nfs/dbraw/zinc/22/17/60/176221760.db2.gz ZEIRHQIIQLMJJI-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000043493605 176221933 /nfs/dbraw/zinc/22/19/33/176221933.db2.gz NQBDEPUFWOLEAX-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H]1[NH3+] ZINC000333652231 176252605 /nfs/dbraw/zinc/25/26/05/176252605.db2.gz JZVJMOXSTCEDQH-GMTAPVOTSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H]1CC[C@@H]1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000669585656 487633507 /nfs/dbraw/zinc/63/35/07/487633507.db2.gz IAEJSVDWUTYTEW-MXWKQRLJSA-N 2 0 240.351 0.069 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC[NH2+]1 ZINC000368536796 176256974 /nfs/dbraw/zinc/25/69/74/176256974.db2.gz GFQFZACWEFUCTP-NQBHXWOUSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H]1CN(C)CC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000108356897 176267447 /nfs/dbraw/zinc/26/74/47/176267447.db2.gz SRCRPHLQRLQJJG-NEPJUHHUSA-N 2 0 211.353 0.622 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)[C@@H]1CCOC1 ZINC000358048264 176268609 /nfs/dbraw/zinc/26/86/09/176268609.db2.gz PBLYAQUGGNWJMC-FVCCEPFGSA-N 2 0 242.363 0.314 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC000358233423 176270498 /nfs/dbraw/zinc/27/04/98/176270498.db2.gz OFIMMJQPHCFYLI-ZYHUDNBSSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1CC[NH+](C)C1 ZINC000362585019 176272448 /nfs/dbraw/zinc/27/24/48/176272448.db2.gz AYBMAQYUSVADMC-UTUOFQBUSA-N 2 0 239.363 0.252 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)NC1 ZINC000104341982 176278383 /nfs/dbraw/zinc/27/83/83/176278383.db2.gz NCIBPKFXBZASDC-KKOKHZNYSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC(=O)N(C)C1 ZINC000310184920 176278439 /nfs/dbraw/zinc/27/84/39/176278439.db2.gz YFKZHERDDMVSAV-WYUUTHIRSA-N 2 0 239.363 0.535 20 0 BCADRP C[C@@H]1C[NH+](CCC(=O)N2CC[NH2+]CC2)C[C@H]1C ZINC000092085528 176285640 /nfs/dbraw/zinc/28/56/40/176285640.db2.gz RGGRUGPTIIIALB-VXGBXAGGSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H]1C ZINC000092085526 176286009 /nfs/dbraw/zinc/28/60/09/176286009.db2.gz RGGRUGPTIIIALB-TXEJJXNPSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCS1 ZINC000123409759 176291026 /nfs/dbraw/zinc/29/10/26/176291026.db2.gz VXFKWTGEVLNBPE-LLVKDONJSA-N 2 0 229.393 0.329 20 0 BCADRP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)[C@H](C)CO1 ZINC000037482587 176291366 /nfs/dbraw/zinc/29/13/66/176291366.db2.gz RPMDZAIXHXCYIB-VXGBXAGGSA-N 2 0 227.352 0.001 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@@]1(C)C[NH3+] ZINC000335263649 176309966 /nfs/dbraw/zinc/30/99/66/176309966.db2.gz ZOPIQLAOTDCDQV-ZYHUDNBSSA-N 2 0 222.336 0.837 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000331803853 176330153 /nfs/dbraw/zinc/33/01/53/176330153.db2.gz AAZPPDKELQLQCC-FBIMIBRVSA-N 2 0 225.336 0.038 20 0 BCADRP C[C@@H]1COCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000300859977 176340070 /nfs/dbraw/zinc/34/00/70/176340070.db2.gz NKAYJSVEMJZNGO-NEPJUHHUSA-N 2 0 230.352 0.579 20 0 BCADRP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000309457671 176353221 /nfs/dbraw/zinc/35/32/21/176353221.db2.gz NZNWMGZEQSUTRU-UTUOFQBUSA-N 2 0 244.404 0.784 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C2([NH3+])CCCC2)CC[N@@H+]1C ZINC000132941507 176372399 /nfs/dbraw/zinc/37/23/99/176372399.db2.gz HTUDXGYCEJBVNO-MNOVXSKESA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCCC[NH2+]2)CC[NH2+]1 ZINC000370091936 176374226 /nfs/dbraw/zinc/37/42/26/176374226.db2.gz DFAKUMBUICWELY-GRYCIOLGSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCn2cccn2)CC[N@@H+]1C ZINC000128006968 176376889 /nfs/dbraw/zinc/37/68/89/176376889.db2.gz KVBPCEXVAZSMFN-NEPJUHHUSA-N 2 0 222.336 0.955 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@H]1C ZINC000373068809 176460041 /nfs/dbraw/zinc/46/00/41/176460041.db2.gz GUSIGUTVCNCNLO-ZPFDUUQYSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000289315365 176494198 /nfs/dbraw/zinc/49/41/98/176494198.db2.gz UDKYKRCNECYJLL-KGYLQXTDSA-N 2 0 247.342 0.505 20 0 BCADRP C[C@@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)CCCC[NH2+]1 ZINC000180897154 176525274 /nfs/dbraw/zinc/52/52/74/176525274.db2.gz CSBDGWHPHDGWQA-AAEUAGOBSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@]1(CN2CCC[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000335603757 176530549 /nfs/dbraw/zinc/53/05/49/176530549.db2.gz USIVHMHXAXOQEG-NWDGAFQWSA-N 2 0 211.353 0.657 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCCC[NH+]1CCCCC1 ZINC000133767746 176571640 /nfs/dbraw/zinc/57/16/40/176571640.db2.gz QOWNPBIITJSKBO-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061644096 176655626 /nfs/dbraw/zinc/65/56/26/176655626.db2.gz RDFRXSRAFZFOBN-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000367647606 176655976 /nfs/dbraw/zinc/65/59/76/176655976.db2.gz BXCQPQJUKNWUEU-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000044806967 176655980 /nfs/dbraw/zinc/65/59/80/176655980.db2.gz MQLSUUZEDFXWMT-SNVBAGLBSA-N 2 0 227.352 0.381 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C1(C[NH3+])CCCC1 ZINC000336739142 176658613 /nfs/dbraw/zinc/65/86/13/176658613.db2.gz KXHMBSZROZWOOX-SECBINFHSA-N 2 0 213.325 0.217 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061645179 176755826 /nfs/dbraw/zinc/75/58/26/176755826.db2.gz UMFUALGFYCXYLX-VHSXEESVSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000340170000 176757151 /nfs/dbraw/zinc/75/71/51/176757151.db2.gz XIIGZPKTXXWPPT-GARJFASQSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@H]([NH3+])CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000107213667 176761103 /nfs/dbraw/zinc/76/11/03/176761103.db2.gz QYXYYUCJAOCEPR-RYUDHWBXSA-N 2 0 211.353 0.894 20 0 BCADRP C[C@@H](C(=O)N1CCC2(C1)CC[NH2+]CC2)[C@H](C)[NH3+] ZINC000336625839 176763540 /nfs/dbraw/zinc/76/35/40/176763540.db2.gz MQHBBEJTVWELEP-MNOVXSKESA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368110379 176768191 /nfs/dbraw/zinc/76/81/91/176768191.db2.gz CENVVDUXFNYQPU-XWLWVQCSSA-N 2 0 225.336 0.038 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372875213 176768923 /nfs/dbraw/zinc/76/89/23/176768923.db2.gz GOCOSIUUSOCVHM-UKKRHICBSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357296201 176769072 /nfs/dbraw/zinc/76/90/72/176769072.db2.gz KURDHKRHHLMKSO-ORMBPQIASA-N 2 0 227.352 0.472 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000237509950 177075937 /nfs/dbraw/zinc/07/59/37/177075937.db2.gz GJXNVXFLCHEJFT-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000020179814 177097225 /nfs/dbraw/zinc/09/72/25/177097225.db2.gz CTXRXLFTEGDBCM-LBPRGKRZSA-N 2 0 211.353 0.624 20 0 BCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C[NH3+])C1 ZINC000237574834 177097714 /nfs/dbraw/zinc/09/77/14/177097714.db2.gz AMGRDQSTTCMEAS-NSHDSACASA-N 2 0 227.352 0.573 20 0 BCADRP C[C@H]1CCC[C@@](CNC(=O)CC[NH3+])([NH+](C)C)C1 ZINC000040670530 177127450 /nfs/dbraw/zinc/12/74/50/177127450.db2.gz AQDUBAHGIDLLPX-WCQYABFASA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040670573 177143387 /nfs/dbraw/zinc/14/33/87/177143387.db2.gz UFAYGOWCKXXSTQ-LOWVWBTDSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000333627402 177152010 /nfs/dbraw/zinc/15/20/10/177152010.db2.gz SIQJTPGYWAPOAE-TUAOUCFPSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@H]1CC[C@@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000129487251 177193015 /nfs/dbraw/zinc/19/30/15/177193015.db2.gz NZUFDAIEXANKGH-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@H]1CC[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000129486828 177204616 /nfs/dbraw/zinc/20/46/16/177204616.db2.gz NZUFDAIEXANKGH-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H]1CN(C(=O)NCC(C)(C)[NH3+])C[C@H](C)[N@H+]1C ZINC000335285707 177220126 /nfs/dbraw/zinc/22/01/26/177220126.db2.gz ROIMPOJKPRRCEW-AOOOYVTPSA-N 2 0 242.367 0.458 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC[NH2+]1 ZINC000131879859 177221828 /nfs/dbraw/zinc/22/18/28/177221828.db2.gz KPBCFWZXIZCSBO-AAEUAGOBSA-N 2 0 247.342 0.377 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C[C@@H]1[NH3+] ZINC000333515990 177223287 /nfs/dbraw/zinc/22/32/87/177223287.db2.gz GCDYPYGMBXQASW-ZDCRXTMVSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCn1ccnn1 ZINC000346853840 177234533 /nfs/dbraw/zinc/23/45/33/177234533.db2.gz BECLACMLCCJGMF-NWDGAFQWSA-N 2 0 237.351 0.598 20 0 BCADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000336777717 177237221 /nfs/dbraw/zinc/23/72/21/177237221.db2.gz JIEFUJYDPPAGEF-NWDGAFQWSA-N 2 0 229.368 0.104 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000362875589 177237737 /nfs/dbraw/zinc/23/77/37/177237737.db2.gz MFPJCHPLBNWYDW-WDEREUQCSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](C)CN1C ZINC000352780017 177238302 /nfs/dbraw/zinc/23/83/02/177238302.db2.gz NOKOBPCFXUYQQI-WOPDTQHZSA-N 2 0 239.363 0.632 20 0 BCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCCF ZINC000668302749 487637262 /nfs/dbraw/zinc/63/72/62/487637262.db2.gz ORTONCBWRNIQEO-UHFFFAOYSA-N 2 0 247.358 0.688 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227455407 177280300 /nfs/dbraw/zinc/28/03/00/177280300.db2.gz MHILTEGARHRASF-AEJSXWLSSA-N 2 0 211.309 0.029 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333640045 177283218 /nfs/dbraw/zinc/28/32/18/177283218.db2.gz HZIXCEMVYSXYNC-QWRGUYRKSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@H]1COCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000300859985 177296478 /nfs/dbraw/zinc/29/64/78/177296478.db2.gz NKAYJSVEMJZNGO-NWDGAFQWSA-N 2 0 230.352 0.579 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCOCCO ZINC000300418628 177330726 /nfs/dbraw/zinc/33/07/26/177330726.db2.gz YFBTWINERVPSMY-FRRDWIJNSA-N 2 0 244.379 0.704 20 0 BCADRP C[C@@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000036908620 177331753 /nfs/dbraw/zinc/33/17/53/177331753.db2.gz IOZAKVVUHSCGGL-LMLFDSFASA-N 2 0 200.326 0.686 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCn2cccn2)CC[N@@H+]1C ZINC000128007190 177332791 /nfs/dbraw/zinc/33/27/91/177332791.db2.gz KVBPCEXVAZSMFN-RYUDHWBXSA-N 2 0 222.336 0.955 20 0 BCADRP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000336714018 177333583 /nfs/dbraw/zinc/33/35/83/177333583.db2.gz OYKXJKKCWVXPQC-WOPDTQHZSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H]1C[C@H](C)C[NH+](CCN2CC[NH2+]CC2)C1 ZINC000037482551 177358658 /nfs/dbraw/zinc/35/86/58/177358658.db2.gz XJFYXRDCBCSBDN-STQMWFEESA-N 2 0 225.380 0.870 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C2(C[NH3+])CCCC2)CC[NH2+]1 ZINC000336229376 177367048 /nfs/dbraw/zinc/36/70/48/177367048.db2.gz BXMDABHDNSNSAJ-WDEREUQCSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H]1C[C@H]1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309099411 177382048 /nfs/dbraw/zinc/38/20/48/177382048.db2.gz FBQWBZUYMKRCLD-QWRGUYRKSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000377560131 177394987 /nfs/dbraw/zinc/39/49/87/177394987.db2.gz DFPAMVDNCRQUPE-KKOKHZNYSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000368562637 177395536 /nfs/dbraw/zinc/39/55/36/177395536.db2.gz QCNQOHWJUAILTF-XWIASGKRSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000368005791 177395608 /nfs/dbraw/zinc/39/56/08/177395608.db2.gz KFTBMROJRZCIIU-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000368562447 177395695 /nfs/dbraw/zinc/39/56/95/177395695.db2.gz QCNQOHWJUAILTF-IRUJWGPZSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[N@H+](C)CC1 ZINC000094647128 177395790 /nfs/dbraw/zinc/39/57/90/177395790.db2.gz QYDDSVYMUUHCKV-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000193545455 177395947 /nfs/dbraw/zinc/39/59/47/177395947.db2.gz IZDNWHYIPNWILH-ZYHUDNBSSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000368010926 177433981 /nfs/dbraw/zinc/43/39/81/177433981.db2.gz VQCYJYQNIDUWEE-LMLFDSFASA-N 2 0 225.336 0.323 20 0 BCADRP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383541194 487638988 /nfs/dbraw/zinc/63/89/88/487638988.db2.gz UJVBYCPGDVGSJO-STQMWFEESA-N 2 0 242.363 0.710 20 0 BCADRP C[C@H](C[C@H]1COCCN1)[NH2+]C[C@@H]1CCCN1C ZINC000226011905 487643838 /nfs/dbraw/zinc/64/38/38/487643838.db2.gz MOMQOJJWXBHRNB-AGIUHOORSA-N 2 0 241.379 0.437 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CCO ZINC000383598911 487644899 /nfs/dbraw/zinc/64/48/99/487644899.db2.gz PQUZFQVBQWRNLX-OLZOCXBDSA-N 2 0 244.379 0.534 20 0 BCADRP C[NH+](C)C/C=C\C(=O)NC(C)(C)C[NH+](C)C ZINC000493309851 226183142 /nfs/dbraw/zinc/18/31/42/226183142.db2.gz ZADLMBXQOOEUMH-FPLPWBNLSA-N 2 0 227.352 0.561 20 0 BCADRP C[NH+](C)C/C=C/C(=O)NC(C)(C)C[NH+](C)C ZINC000493309850 226183231 /nfs/dbraw/zinc/18/32/31/226183231.db2.gz ZADLMBXQOOEUMH-BQYQJAHWSA-N 2 0 227.352 0.561 20 0 BCADRP C[NH+](C)C/C=C\C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000493025393 226107624 /nfs/dbraw/zinc/10/76/24/226107624.db2.gz OPZRNBXRVFNHME-SREVYHEPSA-N 2 0 239.363 0.657 20 0 BCADRP C[C@@H]1C[N@H+](C)CCN1C(=O)/C=C/c1ncc[nH]1 ZINC000493351741 226192550 /nfs/dbraw/zinc/19/25/50/226192550.db2.gz KQXAEKKYOLTQKG-HMDXOVGESA-N 2 0 234.303 0.585 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)[NH+](C)C ZINC000494243994 226262845 /nfs/dbraw/zinc/26/28/45/226262845.db2.gz FTXRHBWFWJKGSB-PWSUYJOCSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000494660664 226267805 /nfs/dbraw/zinc/26/78/05/226267805.db2.gz GGZQTZVBUQHMRD-QJPTWQEYSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@]1(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)CCC[NH2+]C1 ZINC000557189624 322935136 /nfs/dbraw/zinc/93/51/36/322935136.db2.gz QQYKHDTXCUXOAC-WXHSDQCUSA-N 2 0 237.347 0.244 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCC[NH+](C)CC1 ZINC000383637284 487654097 /nfs/dbraw/zinc/65/40/97/487654097.db2.gz YOVVJYZEFYULMG-CYBMUJFWSA-N 2 0 243.395 0.325 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](CC)[C@H](C)C1 ZINC000383659659 487658719 /nfs/dbraw/zinc/65/87/19/487658719.db2.gz LGCKMWIHJLINDI-CHWSQXEVSA-N 2 0 243.395 0.325 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000087471682 487659608 /nfs/dbraw/zinc/65/96/08/487659608.db2.gz RMBUCCRJKVAOEQ-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)[C@H]1CO ZINC000383678259 487659953 /nfs/dbraw/zinc/65/99/53/487659953.db2.gz QAKJOYJECHYFAV-JHJVBQTASA-N 2 0 244.379 0.390 20 0 BCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000238140593 487664845 /nfs/dbraw/zinc/66/48/45/487664845.db2.gz XLRNGHMXHWWJSQ-QWRGUYRKSA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000238065762 262748385 /nfs/dbraw/zinc/74/83/85/262748385.db2.gz FVJIBGZWBFIWMQ-BJDJZHNGSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC(C)(C)[NH3+] ZINC000186781225 487675018 /nfs/dbraw/zinc/67/50/18/487675018.db2.gz HRITZEGDTLZPDK-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CC1(O)CCC1 ZINC000564857579 322941756 /nfs/dbraw/zinc/94/17/56/322941756.db2.gz VEROXIADLJKJIB-GFCCVEGCSA-N 2 0 241.379 0.127 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N[C@H](C)CC[NH+](C)C ZINC000659444841 487681343 /nfs/dbraw/zinc/68/13/43/487681343.db2.gz AIJHEECRRALHLK-NXEZZACHSA-N 2 0 230.356 0.234 20 0 BCADRP Cn1cncc1CCC[N@H+](C)C1CC([NH3+])C1 ZINC000314440971 487686770 /nfs/dbraw/zinc/68/67/70/487686770.db2.gz XJLXCWXBSPRNNS-UHFFFAOYSA-N 2 0 222.336 0.774 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000653112646 487687340 /nfs/dbraw/zinc/68/73/40/487687340.db2.gz FJNCPJBGYXMZIX-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662662281 487687584 /nfs/dbraw/zinc/68/75/84/487687584.db2.gz PAILJYMFSGIGKQ-NSHDSACASA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000393784495 487687592 /nfs/dbraw/zinc/68/75/92/487687592.db2.gz WMSGTEOKSCVNIQ-TUAOUCFPSA-N 2 0 211.353 0.655 20 0 BCADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCC[NH2+]CC1 ZINC000653142313 487701890 /nfs/dbraw/zinc/70/18/90/487701890.db2.gz GWKSMWJERUFHFR-VWYCJHECSA-N 2 0 243.326 0.192 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)NCC[NH2+]C2CC2)C1 ZINC000669403037 487705056 /nfs/dbraw/zinc/70/50/56/487705056.db2.gz GDBVQFFTERUPFR-LLVKDONJSA-N 2 0 240.351 0.132 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000336596417 487713260 /nfs/dbraw/zinc/71/32/60/487713260.db2.gz VOUIXELZAQPKGG-LBPRGKRZSA-N 2 0 225.336 0.198 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000151742425 487715022 /nfs/dbraw/zinc/71/50/22/487715022.db2.gz MXOKWSMTSLQFKM-MNOVXSKESA-N 2 0 227.352 0.618 20 0 BCADRP CC[N@H+](CCO)CCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000681108861 487728677 /nfs/dbraw/zinc/72/86/77/487728677.db2.gz NHUZSIYEBQYOEM-OLZOCXBDSA-N 2 0 243.395 0.373 20 0 BCADRP CNC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250418900 487732154 /nfs/dbraw/zinc/73/21/54/487732154.db2.gz YRNAWBRSUBVDBK-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000226399033 487734271 /nfs/dbraw/zinc/73/42/71/487734271.db2.gz ABJQLUIEUSCPPD-GXSJLCMTSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000226399514 487734538 /nfs/dbraw/zinc/73/45/38/487734538.db2.gz JMOQNJYSCPWOTJ-IUCAKERBSA-N 2 0 213.325 0.323 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226403706 487734930 /nfs/dbraw/zinc/73/49/30/487734930.db2.gz HOZUDCICINUDKJ-IVZWLZJFSA-N 2 0 213.325 0.323 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCCC[C@H]1CCO ZINC000042409297 487741566 /nfs/dbraw/zinc/74/15/66/487741566.db2.gz DMGKVQNLSYFSQX-NSHDSACASA-N 2 0 200.326 0.833 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000381305317 487747329 /nfs/dbraw/zinc/74/73/29/487747329.db2.gz JRMBQCPCBDCADV-VHSXEESVSA-N 2 0 213.325 0.180 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000659510057 487751021 /nfs/dbraw/zinc/75/10/21/487751021.db2.gz JQIOHZVBQWHZIE-SNVBAGLBSA-N 2 0 242.367 0.365 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000357412277 487766871 /nfs/dbraw/zinc/76/68/71/487766871.db2.gz KUMCHVKIFFQNRC-NEPJUHHUSA-N 2 0 241.379 0.926 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000662965776 487774773 /nfs/dbraw/zinc/77/47/73/487774773.db2.gz NVCNRWFCQFOBON-GARJFASQSA-N 2 0 227.352 0.583 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000309211833 487779996 /nfs/dbraw/zinc/77/99/96/487779996.db2.gz SODDOZGTULRSPL-DCAQKATOSA-N 2 0 225.336 0.337 20 0 BCADRP CC[C@@H]1CN(Cc2cncn2C)CC[C@H]1[NH3+] ZINC000251862867 487803870 /nfs/dbraw/zinc/80/38/70/487803870.db2.gz SYUOJAKGDKADJN-ZYHUDNBSSA-N 2 0 222.336 0.979 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)NCC[NH2+]C1CC1 ZINC000669420036 487810349 /nfs/dbraw/zinc/81/03/49/487810349.db2.gz OWISRXGCBWUIAD-JTQLQIEISA-N 2 0 242.367 0.378 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C2CC2)CC[N@@H+]1C ZINC000156095150 487813369 /nfs/dbraw/zinc/81/33/69/487813369.db2.gz PEAUOWBMRUJLTF-JLLWLGSASA-N 2 0 212.337 0.830 20 0 BCADRP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000252187243 487821002 /nfs/dbraw/zinc/82/10/02/487821002.db2.gz ULZJNONDWMYKID-DDHJBXDOSA-N 2 0 210.321 0.705 20 0 BCADRP CO[C@@H](C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000224176722 487824644 /nfs/dbraw/zinc/82/46/44/487824644.db2.gz BQKNDCFZTSLPEX-QWRGUYRKSA-N 2 0 216.325 0.068 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)[NH+](C)C ZINC000252614576 487827768 /nfs/dbraw/zinc/82/77/68/487827768.db2.gz YGPYVFZHTPLTRH-GUBZILKMSA-N 2 0 213.325 0.051 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000647708422 487829295 /nfs/dbraw/zinc/82/92/95/487829295.db2.gz LKUNPAMZLFFILK-JGVFFNPUSA-N 2 0 235.278 0.309 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000647708424 487829152 /nfs/dbraw/zinc/82/91/52/487829152.db2.gz LKUNPAMZLFFILK-YUMQZZPRSA-N 2 0 235.278 0.309 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)CCCCCC[NH3+] ZINC000834826002 587768005 /nfs/dbraw/zinc/76/80/05/587768005.db2.gz JMLURVCFLAISOJ-JTQLQIEISA-N 2 0 215.341 0.749 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CCC[N@H+](C)C1)[C@H](C)[NH3+] ZINC000252850700 487835519 /nfs/dbraw/zinc/83/55/19/487835519.db2.gz HRQKSDOHEWQJQU-UTLUCORTSA-N 2 0 213.325 0.180 20 0 BCADRP Cc1ccc(C[C@@H](CO)[NH2+]CCC[NH3+])cc1 ZINC000415103867 487837799 /nfs/dbraw/zinc/83/77/99/487837799.db2.gz KFYSVPDLGACKOT-ZDUSSCGKSA-N 2 0 222.332 0.837 20 0 BCADRP COc1ccc2c(c1)OC[C@H]([NH2+]CCC[NH3+])C2 ZINC000415113001 487838321 /nfs/dbraw/zinc/83/83/21/487838321.db2.gz SDNFMQKZFNQDAQ-LLVKDONJSA-N 2 0 236.315 0.937 20 0 BCADRP C[C@H](CO)[N@H+](CCC[NH3+])CC1CCC1 ZINC000415111874 487838420 /nfs/dbraw/zinc/83/84/20/487838420.db2.gz UVECORGTVNIYDF-SNVBAGLBSA-N 2 0 200.326 0.818 20 0 BCADRP C[N@H+](CCC[NH3+])C(C)(C)CN1CCOCC1 ZINC000415144656 487838968 /nfs/dbraw/zinc/83/89/68/487838968.db2.gz VRUPWFBEWFPPFW-UHFFFAOYSA-N 2 0 229.368 0.378 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000877103700 590284004 /nfs/dbraw/zinc/28/40/04/590284004.db2.gz YCVSWSZIOASBCA-GXSJLCMTSA-N 2 0 213.325 0.182 20 0 BCADRP CC[N@@H+](CC(=O)N(C)C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000666620268 487846091 /nfs/dbraw/zinc/84/60/91/487846091.db2.gz ZSGKUCXYTFNMJE-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000569341162 322951078 /nfs/dbraw/zinc/95/10/78/322951078.db2.gz GMSIDCWFHYEQCA-UKKRHICBSA-N 2 0 225.336 0.452 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659539298 487850957 /nfs/dbraw/zinc/85/09/57/487850957.db2.gz CZURVABNZWSVKI-NXEZZACHSA-N 2 0 242.367 0.363 20 0 BCADRP CCCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594873981 487852284 /nfs/dbraw/zinc/85/22/84/487852284.db2.gz YIERJSQPLOCCGB-ZJUUUORDSA-N 2 0 211.309 0.030 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000089747556 487851812 /nfs/dbraw/zinc/85/18/12/487851812.db2.gz VHIRDNWHPIRYBV-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@H]1C ZINC000373068803 487857592 /nfs/dbraw/zinc/85/75/92/487857592.db2.gz GUSIGUTVCNCNLO-MRBYEJRBSA-N 2 0 237.347 0.195 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C)OC ZINC000234703147 487859836 /nfs/dbraw/zinc/85/98/36/487859836.db2.gz HNJBGWCCWDETKE-AXFHLTTASA-N 2 0 216.325 0.459 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](C)[NH3+] ZINC000659540938 487867836 /nfs/dbraw/zinc/86/78/36/487867836.db2.gz YMPLXWUIYOGCGG-DTWKUNHWSA-N 2 0 216.329 0.006 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000569354217 322963148 /nfs/dbraw/zinc/96/31/48/322963148.db2.gz GEZDYPGFMTUNJJ-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP C[NH+]1CCC(C[NH2+]CC2(O)CCC2)CC1 ZINC000131141838 643273583 /nfs/dbraw/zinc/27/35/83/643273583.db2.gz VSDFMNUVZBUSFH-UHFFFAOYSA-N 2 0 212.337 0.833 20 0 BCADRP CSC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923380674 644393017 /nfs/dbraw/zinc/39/30/17/644393017.db2.gz BIMUZXMKKISUGZ-OPRDCNLKSA-N 2 0 218.366 0.570 20 0 BCADRP CC[NH+]1CCC(CNC(=O)NC[C@@H](C)[NH3+])CC1 ZINC000669443165 487886953 /nfs/dbraw/zinc/88/69/53/487886953.db2.gz FRHRPINPXNQROY-SNVBAGLBSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H](CNC(=O)NC[C@H](C)[NH3+])[N@H+](C)C1CC1 ZINC000669462779 487909948 /nfs/dbraw/zinc/90/99/48/487909948.db2.gz FQKHNRIEGSQXEY-DTWKUNHWSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@H]1C[C@H](C[NH2+]C[C@@H]2C[C@H](F)CN2)CC[NH2+]1 ZINC000666947581 487911560 /nfs/dbraw/zinc/91/15/60/487911560.db2.gz BOWPRVCGHILERM-USZNOCQGSA-N 2 0 229.343 0.664 20 0 BCADRP [NH3+]CC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000652335357 487923652 /nfs/dbraw/zinc/92/36/52/487923652.db2.gz BWBPAIJKRICUDC-UHFFFAOYSA-N 2 0 234.347 1.000 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)CC[NH3+] ZINC000417306151 487923737 /nfs/dbraw/zinc/92/37/37/487923737.db2.gz ZMLYCBKPIYHBGK-QWRGUYRKSA-N 2 0 244.383 0.753 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN(C)CC[NH+]1CCCCC1 ZINC000652363731 487932803 /nfs/dbraw/zinc/93/28/03/487932803.db2.gz MLUXBGMLFIWDIH-CYBMUJFWSA-N 2 0 243.395 0.375 20 0 BCADRP C[NH2+][C@H](C)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396427568 487933635 /nfs/dbraw/zinc/93/36/35/487933635.db2.gz BQCVKNRGGFMWDG-VHSXEESVSA-N 2 0 227.352 0.441 20 0 BCADRP C[NH2+]CCN(C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000417550316 487935179 /nfs/dbraw/zinc/93/51/79/487935179.db2.gz KZGFMTXNNRLKOE-SNVBAGLBSA-N 2 0 242.367 0.330 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000659556381 487939303 /nfs/dbraw/zinc/93/93/03/487939303.db2.gz RYNZYAZHFJBAQV-YIZRAAEISA-N 2 0 216.329 0.019 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[NH2+]CC1 ZINC000083862929 487953246 /nfs/dbraw/zinc/95/32/46/487953246.db2.gz WVXBFRPDCALDNX-NSHDSACASA-N 2 0 227.352 0.429 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000082920652 487955659 /nfs/dbraw/zinc/95/56/59/487955659.db2.gz SUJUMZWOBHRHEP-WDEREUQCSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000417809034 487956966 /nfs/dbraw/zinc/95/69/66/487956966.db2.gz APJHFTHLXMKGNP-KXNHARMFSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000569574461 322970843 /nfs/dbraw/zinc/97/08/43/322970843.db2.gz DMFCGNQPADVTIQ-MNOVXSKESA-N 2 0 239.363 0.775 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000569603562 322972523 /nfs/dbraw/zinc/97/25/23/322972523.db2.gz RJSASJYUNOAJFW-DCAQKATOSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH2+]C2(C)C)CC[NH2+]1 ZINC000569607695 322972744 /nfs/dbraw/zinc/97/27/44/322972744.db2.gz RVLJKYAVTKBVHZ-DCAQKATOSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@H](CC[NH3+])C(F)F)CC[NH2+]1 ZINC000564955733 322979888 /nfs/dbraw/zinc/97/98/88/322979888.db2.gz XUGUTNXYGOJPGT-XHNCKOQMSA-N 2 0 249.305 0.473 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000564957596 322980364 /nfs/dbraw/zinc/98/03/64/322980364.db2.gz QQGNZDZIJUFURV-ZMLRMANQSA-N 2 0 239.363 0.346 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000561194542 322996847 /nfs/dbraw/zinc/99/68/47/322996847.db2.gz NFMUBNWFIOILHR-VPOLOUISSA-N 2 0 225.336 0.193 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000561194539 322996869 /nfs/dbraw/zinc/99/68/69/322996869.db2.gz NFMUBNWFIOILHR-CHWFTXMASA-N 2 0 225.336 0.193 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000151313410 323015389 /nfs/dbraw/zinc/01/53/89/323015389.db2.gz ANLMQOXOGRDZSH-GFCCVEGCSA-N 2 0 233.315 0.209 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000566859326 323020451 /nfs/dbraw/zinc/02/04/51/323020451.db2.gz TXUHRYSXDXRSNN-BWZBUEFSSA-N 2 0 201.314 0.212 20 0 BCADRP CC[N@H+](CC(=O)NC[C@@H]1CC[NH+](C)C1)C1CC1 ZINC000151622862 323020806 /nfs/dbraw/zinc/02/08/06/323020806.db2.gz UMGBZDAYLGPQFX-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP CON1CCC([N@H+](C)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000566914861 323025571 /nfs/dbraw/zinc/02/55/71/323025571.db2.gz BMSSNXFBXVZHFL-CYBMUJFWSA-N 2 0 241.379 0.944 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000562809212 323031090 /nfs/dbraw/zinc/03/10/90/323031090.db2.gz CXTPKVWRDCFVJI-NOOOWODRSA-N 2 0 239.363 0.428 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000562809526 323031206 /nfs/dbraw/zinc/03/12/06/323031206.db2.gz YFAHDVFQFCAORS-GMTAPVOTSA-N 2 0 227.352 0.618 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CCC(CC[NH3+])CC1 ZINC000565152080 323033244 /nfs/dbraw/zinc/03/32/44/323033244.db2.gz ZJWIJGSIQACKRM-UHFFFAOYSA-N 2 0 248.330 0.695 20 0 BCADRP [NH3+]CCCCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000572720048 323036305 /nfs/dbraw/zinc/03/63/05/323036305.db2.gz ADISELDVUMMZTI-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP COCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397252283 323038479 /nfs/dbraw/zinc/03/84/79/323038479.db2.gz DAGZRZMUYRSAAU-VWYCJHECSA-N 2 0 200.326 0.938 20 0 BCADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000569727845 323039125 /nfs/dbraw/zinc/03/91/25/323039125.db2.gz UVVJLZQVQLDAPO-ZJUUUORDSA-N 2 0 215.341 0.569 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C1CC1)C1CC1 ZINC000569842055 323042544 /nfs/dbraw/zinc/04/25/44/323042544.db2.gz AWRRJOWXXCNBRV-NSHDSACASA-N 2 0 225.336 0.195 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000569938104 323044938 /nfs/dbraw/zinc/04/49/38/323044938.db2.gz SFWJSRACXGTVNB-UWVGGRQHSA-N 2 0 214.309 0.751 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000569928298 323045040 /nfs/dbraw/zinc/04/50/40/323045040.db2.gz COTYTQLPZJHWNQ-SNVBAGLBSA-N 2 0 214.309 0.481 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000569967834 323045936 /nfs/dbraw/zinc/04/59/36/323045936.db2.gz XUOBQJSLRPTLLW-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000569970154 323046091 /nfs/dbraw/zinc/04/60/91/323046091.db2.gz UBUFMGKLCMCDEY-DCQANWLSSA-N 2 0 237.347 0.100 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]([NH3+])c1ccccc1 ZINC000570042894 323048270 /nfs/dbraw/zinc/04/82/70/323048270.db2.gz ZEXMNBSLQJBFDP-NTZNESFSSA-N 2 0 247.342 0.882 20 0 BCADRP [NH3+]C1(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000570079952 323049339 /nfs/dbraw/zinc/04/93/39/323049339.db2.gz XEBZYFVNKQEZCU-UHFFFAOYSA-N 2 0 247.298 0.598 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCCC[NH2+]2)C[C@H]1[NH3+] ZINC000570187941 323052275 /nfs/dbraw/zinc/05/22/75/323052275.db2.gz IEJSKOUPQDGDHT-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)C2(C)C[NH2+]C2)C1 ZINC000570215767 323053426 /nfs/dbraw/zinc/05/34/26/323053426.db2.gz KXVWDRMPGHZFKP-JTQLQIEISA-N 2 0 225.336 0.054 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000570278739 323054802 /nfs/dbraw/zinc/05/48/02/323054802.db2.gz JOUSKXOPIBUWIA-RTXFEEFZSA-N 2 0 247.342 0.943 20 0 BCADRP FC(F)CN1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000570282576 323055101 /nfs/dbraw/zinc/05/51/01/323055101.db2.gz CTIJWQOJSCHZSF-LLVKDONJSA-N 2 0 247.333 0.869 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000570330258 323056489 /nfs/dbraw/zinc/05/64/89/323056489.db2.gz VAQRXCIZBWMTJR-MMWGEVLESA-N 2 0 242.367 0.491 20 0 BCADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COC)C1 ZINC000570444882 323059592 /nfs/dbraw/zinc/05/95/92/323059592.db2.gz ZDBBOQGQOSPDMQ-NWDGAFQWSA-N 2 0 230.352 0.315 20 0 BCADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COC)C1 ZINC000570444883 323059626 /nfs/dbraw/zinc/05/96/26/323059626.db2.gz ZDBBOQGQOSPDMQ-VXGBXAGGSA-N 2 0 230.352 0.315 20 0 BCADRP CSC[C@H](O)C[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000570564460 323063113 /nfs/dbraw/zinc/06/31/13/323063113.db2.gz QWZOALKHLXBNGC-GRYCIOLGSA-N 2 0 244.404 0.927 20 0 BCADRP CNC(=O)CCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000570579289 323063641 /nfs/dbraw/zinc/06/36/41/323063641.db2.gz IHMUXKOEQYVQGT-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CC[C@@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)[NH+](C)C ZINC000156204478 323064998 /nfs/dbraw/zinc/06/49/98/323064998.db2.gz IQGBQAQNNDPRBW-NWDGAFQWSA-N 2 0 241.379 0.783 20 0 BCADRP CC[C@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000570633267 323065345 /nfs/dbraw/zinc/06/53/45/323065345.db2.gz IFPXEUXCMDAXNC-KOLCDFICSA-N 2 0 248.330 0.573 20 0 BCADRP CC[C@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000570633268 323065389 /nfs/dbraw/zinc/06/53/89/323065389.db2.gz IFPXEUXCMDAXNC-ONGXEEELSA-N 2 0 248.330 0.573 20 0 BCADRP O=C(NCCC[NH2+]Cc1cccnc1)[C@H]1CC[NH2+]1 ZINC000570716840 323068415 /nfs/dbraw/zinc/06/84/15/323068415.db2.gz CHOMVQUVDQWMRU-GFCCVEGCSA-N 2 0 248.330 0.039 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000570802376 323070930 /nfs/dbraw/zinc/07/09/30/323070930.db2.gz MORBEUAQNNISCE-MXWKQRLJSA-N 2 0 243.351 0.079 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000570833006 323072041 /nfs/dbraw/zinc/07/20/41/323072041.db2.gz DVXMYACAUVQYPW-GMTAPVOTSA-N 2 0 225.336 0.100 20 0 BCADRP CC1(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000570927447 323074383 /nfs/dbraw/zinc/07/43/83/323074383.db2.gz AOWDQDHOTWZFBV-LBPRGKRZSA-N 2 0 223.364 0.766 20 0 BCADRP C[NH2+]CCC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000570927210 323074455 /nfs/dbraw/zinc/07/44/55/323074455.db2.gz UTASNZZKKADWPQ-JTQLQIEISA-N 2 0 213.325 0.244 20 0 BCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000562976272 323077740 /nfs/dbraw/zinc/07/77/40/323077740.db2.gz PHDTZMRDVCGWAU-LOWVWBTDSA-N 2 0 237.347 0.244 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000567814855 323087451 /nfs/dbraw/zinc/08/74/51/323087451.db2.gz GLEJUOQFWKUOGI-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000567819355 323089336 /nfs/dbraw/zinc/08/93/36/323089336.db2.gz GWVFGGKXDORZLK-XWLWVQCSSA-N 2 0 242.367 0.539 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000567821665 323089947 /nfs/dbraw/zinc/08/99/47/323089947.db2.gz HFUNFJSJHHRDMK-KATARQTJSA-N 2 0 228.340 0.243 20 0 BCADRP C[C@H](C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)C1C[NH2+]C1 ZINC000563087793 323091248 /nfs/dbraw/zinc/09/12/48/323091248.db2.gz PYNYCWOWVCEQEE-UTLUCORTSA-N 2 0 225.336 0.051 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000563088878 323091405 /nfs/dbraw/zinc/09/14/05/323091405.db2.gz LCNOOLYTRKSOIZ-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000567838984 323091452 /nfs/dbraw/zinc/09/14/52/323091452.db2.gz DROVDQCEAVFXOM-KCJUWKMLSA-N 2 0 239.294 0.331 20 0 BCADRP CCCN(C(=O)[C@@H](C)C1C[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000563100358 323092482 /nfs/dbraw/zinc/09/24/82/323092482.db2.gz JJJVURYXJONRBF-CMPLNLGQSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000563105737 323092670 /nfs/dbraw/zinc/09/26/70/323092670.db2.gz SRPUFLFYTHWNRC-NSHDSACASA-N 2 0 221.304 0.330 20 0 BCADRP C[NH2+]CCNC(=O)[C@H]([NH3+])c1ccccc1C ZINC000563105736 323092695 /nfs/dbraw/zinc/09/26/95/323092695.db2.gz SRPUFLFYTHWNRC-LLVKDONJSA-N 2 0 221.304 0.330 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000563116844 323093352 /nfs/dbraw/zinc/09/33/52/323093352.db2.gz OMTDNCCTSFFJRQ-GUBZILKMSA-N 2 0 213.325 0.213 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000563116085 323093393 /nfs/dbraw/zinc/09/33/93/323093393.db2.gz XWNNCOMKAFJHEN-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP COC[C@]1(CNCC(C)(C)[NH3+])CCC[NH2+]1 ZINC000563135498 323094571 /nfs/dbraw/zinc/09/45/71/323094571.db2.gz NVNHDMLGOCRSSN-LLVKDONJSA-N 2 0 215.341 0.082 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CSCN1)[C@H]1CCC[NH2+]C1 ZINC000563142866 323095233 /nfs/dbraw/zinc/09/52/33/323095233.db2.gz QHFJXXLKIIYDQK-GUBZILKMSA-N 2 0 243.376 0.153 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1CCOC[C@H]1CCCO1 ZINC000563154744 323095685 /nfs/dbraw/zinc/09/56/85/323095685.db2.gz VKIAIFGQQVCVQX-QWHCGFSZSA-N 2 0 242.363 0.866 20 0 BCADRP [NH3+]CCCC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000563159600 323097150 /nfs/dbraw/zinc/09/71/50/323097150.db2.gz GKTPUCGJAVLCRN-RYUDHWBXSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)C2([NH3+])CC2)CC1 ZINC000563160025 323097359 /nfs/dbraw/zinc/09/73/59/323097359.db2.gz MAMRKDUCMAPSLL-JTQLQIEISA-N 2 0 225.336 0.420 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000563160815 323097494 /nfs/dbraw/zinc/09/74/94/323097494.db2.gz SUEKQZVOZUQFPW-ZMLRMANQSA-N 2 0 233.315 0.205 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000563168843 323099658 /nfs/dbraw/zinc/09/96/58/323099658.db2.gz AVSPMTPYBNNKHW-XWLWVQCSSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000563171322 323099822 /nfs/dbraw/zinc/09/98/22/323099822.db2.gz WEPVDXQCFIUGJN-DJLDLDEBSA-N 2 0 213.325 0.369 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000563171286 323099837 /nfs/dbraw/zinc/09/98/37/323099837.db2.gz ZFVQBSUWMSKATQ-AEJSXWLSSA-N 2 0 213.325 0.371 20 0 BCADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(C)CC1 ZINC000570973444 323102421 /nfs/dbraw/zinc/10/24/21/323102421.db2.gz BCAUGESACKULPY-NSHDSACASA-N 2 0 200.326 0.689 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cncn1C ZINC000401651734 323105121 /nfs/dbraw/zinc/10/51/21/323105121.db2.gz QIIMSLKCPGIWID-WCQYABFASA-N 2 0 236.363 0.892 20 0 BCADRP C[C@@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)[C@H](C)[NH3+] ZINC000571046458 323105190 /nfs/dbraw/zinc/10/51/90/323105190.db2.gz JYHZYNGSPQDQKZ-IVZWLZJFSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000571046460 323105197 /nfs/dbraw/zinc/10/51/97/323105197.db2.gz JYHZYNGSPQDQKZ-LPEHRKFASA-N 2 0 225.336 0.228 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(O)COC)[C@H](C)C1 ZINC000531711377 323112008 /nfs/dbraw/zinc/11/20/08/323112008.db2.gz VPRHVFXNIMMSFP-FRRDWIJNSA-N 2 0 244.379 0.704 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccccc1CC[NH3+] ZINC000563339612 323119209 /nfs/dbraw/zinc/11/92/09/323119209.db2.gz VBSMYUVXHGBPLD-ZJUUUORDSA-N 2 0 235.331 0.653 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN([C@H]2CCNC2=O)C1 ZINC000245686586 323122160 /nfs/dbraw/zinc/12/21/60/323122160.db2.gz NGPVKEWVERQSJD-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000309963882 323122683 /nfs/dbraw/zinc/12/26/83/323122683.db2.gz MPESRQUVRXMVRP-QJPTWQEYSA-N 2 0 230.352 0.456 20 0 BCADRP CCOC1CC(O)(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000563549649 323130000 /nfs/dbraw/zinc/13/00/00/323130000.db2.gz SEHVOOIMOMPPMQ-OKZRHMCRSA-N 2 0 242.363 0.776 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000563583053 323130441 /nfs/dbraw/zinc/13/04/41/323130441.db2.gz HUNUDUXHBZOYGV-ZDUSSCGKSA-N 2 0 249.358 0.672 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000571081961 323134981 /nfs/dbraw/zinc/13/49/81/323134981.db2.gz RYNQPDUQCIKHMI-NOOOWODRSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]([NH3+])C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000571080375 323135038 /nfs/dbraw/zinc/13/50/38/323135038.db2.gz YRMLDZANYBJNGT-MRVPVSSYSA-N 2 0 219.288 0.618 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H](C)CCC[NH3+] ZINC000571083166 323135151 /nfs/dbraw/zinc/13/51/51/323135151.db2.gz GIFYVFBOUSSVAS-KOLCDFICSA-N 2 0 215.341 0.748 20 0 BCADRP CC[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000571106576 323135730 /nfs/dbraw/zinc/13/57/30/323135730.db2.gz KFNGEANNPPANDH-IVZWLZJFSA-N 2 0 211.309 0.029 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000571178895 323137217 /nfs/dbraw/zinc/13/72/17/323137217.db2.gz SLZLRSBBKHFGGD-MXWKQRLJSA-N 2 0 223.324 0.526 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC[NH2+]C(C)(C)C ZINC000571281604 323139979 /nfs/dbraw/zinc/13/99/79/323139979.db2.gz HZESBYRRHIKPRS-QMMMGPOBSA-N 2 0 201.314 0.086 20 0 BCADRP FC(F)[C@H]1C[NH2+]CCN1CCC1CC[NH2+]CC1 ZINC000571404695 323143762 /nfs/dbraw/zinc/14/37/62/323143762.db2.gz WITPGXPVRPXATM-LLVKDONJSA-N 2 0 247.333 0.915 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)c1coc(C[NH3+])c1 ZINC000571443419 323145076 /nfs/dbraw/zinc/14/50/76/323145076.db2.gz GLLOWDNTDVGSIV-UHFFFAOYSA-N 2 0 239.319 0.795 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CCSC2)C1 ZINC000571462882 323145426 /nfs/dbraw/zinc/14/54/26/323145426.db2.gz ZIEIRZNJULJHAF-OUAUKWLOSA-N 2 0 230.377 0.714 20 0 BCADRP C[NH2+]CC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000571558506 323147876 /nfs/dbraw/zinc/14/78/76/323147876.db2.gz XXOIEZQPEXHEOZ-JTQLQIEISA-N 2 0 227.352 0.395 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000563716574 323175341 /nfs/dbraw/zinc/17/53/41/323175341.db2.gz YHALTMQKZZGODP-BDAKNGLRSA-N 2 0 249.305 0.617 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000572869361 323176396 /nfs/dbraw/zinc/17/63/96/323176396.db2.gz RXHYVWNAAKRTTI-MXWKQRLJSA-N 2 0 225.336 0.243 20 0 BCADRP COC(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000308984117 323183471 /nfs/dbraw/zinc/18/34/71/323183471.db2.gz GAOBHQADWPXZIJ-ZJUUUORDSA-N 2 0 212.293 0.091 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC000535824949 323192587 /nfs/dbraw/zinc/19/25/87/323192587.db2.gz RCCSDGMZGLJANH-IJLUTSLNSA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000563893144 323195663 /nfs/dbraw/zinc/19/56/63/323195663.db2.gz ZZICAOMENCXDOY-LLVKDONJSA-N 2 0 242.367 0.494 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)C1(C)C[NH2+]C1 ZINC000399236484 323201292 /nfs/dbraw/zinc/20/12/92/323201292.db2.gz HJWIWSXENDOMHZ-UHFFFAOYSA-N 2 0 227.352 0.300 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000571677256 323325014 /nfs/dbraw/zinc/32/50/14/323325014.db2.gz VUPPNBFVGAMTEG-DCAQKATOSA-N 2 0 242.367 0.506 20 0 BCADRP C(CC1CC[NH2+]C1)[NH2+]CC1CC[NH2+]CC1 ZINC000563958497 323331542 /nfs/dbraw/zinc/33/15/42/323331542.db2.gz UJWZQPPMGCMHCQ-UHFFFAOYSA-N 3 0 211.353 0.575 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000309362132 323345782 /nfs/dbraw/zinc/34/57/82/323345782.db2.gz AOYPCACEJJJNCL-BBBLOLIVSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCC[NH3+])C1 ZINC000309378257 323349335 /nfs/dbraw/zinc/34/93/35/323349335.db2.gz CYYOKYDRJGKSPA-VHSXEESVSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000309385422 323365313 /nfs/dbraw/zinc/36/53/13/323365313.db2.gz DYRNIHRUCHXDMV-TUAOUCFPSA-N 2 0 211.353 0.655 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)[C@H](C)[NH3+] ZINC000309416893 323395007 /nfs/dbraw/zinc/39/50/07/323395007.db2.gz JIPUJVBLDWQFOJ-YWVKMMECSA-N 2 0 213.325 0.167 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000309623125 323436780 /nfs/dbraw/zinc/43/67/80/323436780.db2.gz IDYPAZJOSUSYBJ-KOLCDFICSA-N 2 0 213.325 0.100 20 0 BCADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@]12C[C@H]1CC[NH2+]2 ZINC000571755171 323472517 /nfs/dbraw/zinc/47/25/17/323472517.db2.gz MLZHIAGDLXCXET-RISCZKNCSA-N 2 0 243.310 0.980 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000572257672 323580359 /nfs/dbraw/zinc/58/03/59/323580359.db2.gz ZUMGEDRHPCNBAR-JHJVBQTASA-N 2 0 241.379 0.303 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+](CC)CC ZINC000041680163 487959311 /nfs/dbraw/zinc/95/93/11/487959311.db2.gz QEIOTPZNIZKVBS-ZJUUUORDSA-N 2 0 215.341 0.570 20 0 BCADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)COC ZINC000122794777 324058439 /nfs/dbraw/zinc/05/84/39/324058439.db2.gz JAPAGGYSGBKBPW-NWDGAFQWSA-N 2 0 232.368 0.968 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000572485133 324126588 /nfs/dbraw/zinc/12/65/88/324126588.db2.gz IVBBBSDDIDWUTG-ATZCPNFKSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH2+]C1CC1 ZINC000572496700 324133290 /nfs/dbraw/zinc/13/32/90/324133290.db2.gz UGXSLCJTBOHBHL-CMPLNLGQSA-N 2 0 239.363 0.762 20 0 BCADRP CC[N@H+](CC(=O)NC[C@H]1CCC[NH+]1C)C1CC1 ZINC000152560397 324186581 /nfs/dbraw/zinc/18/65/81/324186581.db2.gz RISHUZJAIBXBPG-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CC(C)C1 ZINC000565181358 324205817 /nfs/dbraw/zinc/20/58/17/324205817.db2.gz NQUXQZZYWDSTCN-VXGBXAGGSA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023899 324223119 /nfs/dbraw/zinc/22/31/19/324223119.db2.gz MBDZZULCUKOODP-GMTAPVOTSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529350082 324276135 /nfs/dbraw/zinc/27/61/35/324276135.db2.gz NPSIALJQOFQYBX-VHSXEESVSA-N 2 0 238.335 0.014 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529350083 324276292 /nfs/dbraw/zinc/27/62/92/324276292.db2.gz NPSIALJQOFQYBX-ZJUUUORDSA-N 2 0 238.335 0.014 20 0 BCADRP C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@H](C)[NH3+] ZINC000529340273 324276657 /nfs/dbraw/zinc/27/66/57/324276657.db2.gz RZZPKCRNORGVTM-IVZWLZJFSA-N 2 0 240.351 0.306 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529347326 324277854 /nfs/dbraw/zinc/27/78/54/324277854.db2.gz CGYYQYVTIQVDLM-NXEZZACHSA-N 2 0 240.351 0.260 20 0 BCADRP [NH3+][C@@H]1C[C@@H](NC[C@H]2COCC[NH2+]2)c2ccccc21 ZINC000530220569 324538432 /nfs/dbraw/zinc/53/84/32/324538432.db2.gz BIELMBQBTMLWTI-ZLKJLUDKSA-N 2 0 247.342 0.709 20 0 BCADRP [NH3+]CCN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241749 324553997 /nfs/dbraw/zinc/55/39/97/324553997.db2.gz QRGLRZVQPPWPPN-GFCCVEGCSA-N 2 0 227.352 0.036 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH3+])C1 ZINC000083913534 487965575 /nfs/dbraw/zinc/96/55/75/487965575.db2.gz TWFQFRQWHHGTFX-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP Nc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cn1 ZINC000647546745 487965776 /nfs/dbraw/zinc/96/57/76/487965776.db2.gz ZVFOTTWYFKKATE-JTQLQIEISA-N 2 0 220.320 0.753 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000130601771 325071862 /nfs/dbraw/zinc/07/18/62/325071862.db2.gz IAVMYAIXWWZNCE-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP C[C@H](C(=O)NCC[NH+](C)C)[NH+]1CCCCCC1 ZINC000131188607 325123365 /nfs/dbraw/zinc/12/33/65/325123365.db2.gz IVRBCNOYRSRSQZ-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)NC/C=C/C[NH3+] ZINC000669477901 487967153 /nfs/dbraw/zinc/96/71/53/487967153.db2.gz GNVPWEDJWQFTMW-AATRIKPKSA-N 2 0 242.367 0.532 20 0 BCADRP COC[C@H](C)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000131699640 325178595 /nfs/dbraw/zinc/17/85/95/325178595.db2.gz UPDNTZCPUKLSRK-CYBMUJFWSA-N 2 0 243.395 0.496 20 0 BCADRP C[N@H+]1CC=C(CNc2cc[nH+]cc2C(N)=O)CC1 ZINC000545164195 325181661 /nfs/dbraw/zinc/18/16/61/325181661.db2.gz QIXJZLCZMOYMPI-UHFFFAOYSA-N 2 0 246.314 0.276 20 0 BCADRP CNC(=O)CCC[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000131808505 325185670 /nfs/dbraw/zinc/18/56/70/325185670.db2.gz OELUAVFDPWUIIN-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC[NH+](C)C ZINC000133595349 325302983 /nfs/dbraw/zinc/30/29/83/325302983.db2.gz PZYCDUMWFBQZLA-LLVKDONJSA-N 2 0 244.383 0.578 20 0 BCADRP CC[NH2+]CCCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000564328709 325386739 /nfs/dbraw/zinc/38/67/39/325386739.db2.gz QQIAEYCQRDZBRK-JTQLQIEISA-N 2 0 245.392 0.197 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)NC[C@H](C)[NH3+] ZINC000669477954 487969692 /nfs/dbraw/zinc/96/96/92/487969692.db2.gz GZBVJSROIVWJFG-JTQLQIEISA-N 2 0 230.356 0.365 20 0 BCADRP CC[C@@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158637529 487970039 /nfs/dbraw/zinc/97/00/39/487970039.db2.gz RNIOBQQSIHGYID-QJPTWQEYSA-N 2 0 212.337 0.974 20 0 BCADRP CC[NH2+]CCC[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000564822870 325812362 /nfs/dbraw/zinc/81/23/62/325812362.db2.gz SMIQPAACAZRNEY-NSHDSACASA-N 2 0 239.367 0.991 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000564937497 325828908 /nfs/dbraw/zinc/82/89/08/325828908.db2.gz LWGOCPNJHOIXFA-HBNTYKKESA-N 2 0 242.367 0.635 20 0 BCADRP CC(C)[C@@H](C(=O)NC1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000564939336 325830161 /nfs/dbraw/zinc/83/01/61/325830161.db2.gz HPWGSTLGJZTQGG-GXSJLCMTSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000564956680 325833656 /nfs/dbraw/zinc/83/36/56/325833656.db2.gz UPZPXODAQBNNJB-AXFHLTTASA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)c1coc(C[NH3+])c1 ZINC000564957261 325833748 /nfs/dbraw/zinc/83/37/48/325833748.db2.gz JLOUYWJWCIXQMT-QMMMGPOBSA-N 2 0 211.265 0.205 20 0 BCADRP C[C@@H]([NH2+]CCOCC[NH3+])[C@H]1CCCOC1 ZINC000564988430 325836123 /nfs/dbraw/zinc/83/61/23/325836123.db2.gz HAUQTJKITZVHLE-MNOVXSKESA-N 2 0 216.325 0.366 20 0 BCADRP CC[C@@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158639284 487969861 /nfs/dbraw/zinc/96/98/61/487969861.db2.gz JLIZYVNVYCTDJS-OUAUKWLOSA-N 2 0 200.326 0.830 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CC1(C[NH3+])CC1 ZINC000565155100 325863591 /nfs/dbraw/zinc/86/35/91/325863591.db2.gz CYBJOMIHNJILPL-UWVGGRQHSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(=O)NCCF ZINC000565227025 325881392 /nfs/dbraw/zinc/88/13/92/325881392.db2.gz UEBDJXKIXUSNJT-LPEHRKFASA-N 2 0 231.315 0.320 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@H]1CCC[NH2+]1 ZINC000565302068 325893794 /nfs/dbraw/zinc/89/37/94/325893794.db2.gz AQOLYSRMVWJPST-TZMBILIQSA-N 2 0 237.347 0.371 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000565832267 325962226 /nfs/dbraw/zinc/96/22/26/325962226.db2.gz ILODGKWJGLDPRO-UMNHJUIQSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000565833966 325962367 /nfs/dbraw/zinc/96/23/67/325962367.db2.gz ONVRWFNVHVXBHM-MWLCHTKSSA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])[C@@H](C)[NH3+] ZINC000565835152 325962835 /nfs/dbraw/zinc/96/28/35/325962835.db2.gz NUMLZHNGQKDGQE-MMWGEVLESA-N 2 0 229.368 0.848 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000565945729 325976899 /nfs/dbraw/zinc/97/68/99/325976899.db2.gz UQELYCGFTJISFT-VXGBXAGGSA-N 2 0 225.336 0.183 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@H](C)[NH2+]C)CC1 ZINC000565962280 325979678 /nfs/dbraw/zinc/97/96/78/325979678.db2.gz QVJABIVCNHVJIO-VIFPVBQESA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]CCCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000566203670 326012404 /nfs/dbraw/zinc/01/24/04/326012404.db2.gz ZQDUPURMQSCFMA-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000566212050 326014302 /nfs/dbraw/zinc/01/43/02/326014302.db2.gz PVKDYFRHYHECOJ-BBBLOLIVSA-N 2 0 213.325 0.025 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)CC[C@@H]1CC[NH2+]C1)C(F)F ZINC000566211138 326014431 /nfs/dbraw/zinc/01/44/31/326014431.db2.gz DCJXQFKUXCWLGX-RKDXNWHRSA-N 2 0 249.305 0.475 20 0 BCADRP [NH3+]CCOCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000566244390 326021610 /nfs/dbraw/zinc/02/16/10/326021610.db2.gz YCIOWYXUFCWCDF-TUAOUCFPSA-N 3 0 227.352 0.021 20 0 BCADRP O=C1NCC[C@@H]1[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000566245124 326021650 /nfs/dbraw/zinc/02/16/50/326021650.db2.gz DGSXYOYPMUGNKE-SRVKXCTJSA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+]CCOCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000566244388 326021684 /nfs/dbraw/zinc/02/16/84/326021684.db2.gz YCIOWYXUFCWCDF-SDDRHHMPSA-N 3 0 227.352 0.021 20 0 BCADRP O=C1NCC[C@@H]1[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566245127 326021899 /nfs/dbraw/zinc/02/18/99/326021899.db2.gz DGSXYOYPMUGNKE-WOPDTQHZSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000566244583 326022645 /nfs/dbraw/zinc/02/26/45/326022645.db2.gz YZHLWYIYQWFAHU-SFYZADRCSA-N 2 0 235.278 0.179 20 0 BCADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000566250413 326024041 /nfs/dbraw/zinc/02/40/41/326024041.db2.gz FXIWAAZEGGVTSZ-VXGBXAGGSA-N 2 0 249.314 0.067 20 0 BCADRP C[C@]1(C(=O)NCc2ccc(C[NH3+])cc2)CC[NH2+]C1 ZINC000566257564 326025751 /nfs/dbraw/zinc/02/57/51/326025751.db2.gz WGBAYPABCWTRLR-AWEZNQCLSA-N 2 0 247.342 0.761 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000566286337 326029235 /nfs/dbraw/zinc/02/92/35/326029235.db2.gz JYRQVIDCURBZOX-FOGDFJRCSA-N 2 0 225.336 0.195 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000566292337 326029647 /nfs/dbraw/zinc/02/96/47/326029647.db2.gz PSXJXERQPRRPMZ-PHIMTYICSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]C1CC1 ZINC000566294015 326029759 /nfs/dbraw/zinc/02/97/59/326029759.db2.gz OFWQKLHUQFICBT-UHFFFAOYSA-N 2 0 227.352 0.585 20 0 BCADRP COC[C@]1(CN[C@H]2CCC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000566483861 326056470 /nfs/dbraw/zinc/05/64/70/326056470.db2.gz XNVDQFVMOQQCEB-FRRDWIJNSA-N 2 0 241.379 0.615 20 0 BCADRP CC[NH+]1CCC(NC(=O)N(C)CCC[NH3+])CC1 ZINC000566507691 326060324 /nfs/dbraw/zinc/06/03/24/326060324.db2.gz LJZJPOAVEMNIMK-UHFFFAOYSA-N 2 0 242.367 0.461 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000566618779 326068508 /nfs/dbraw/zinc/06/85/08/326068508.db2.gz FVRKRRDBQHRRRH-UWVGGRQHSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH+](C)CCNC(=O)c1conc1C(C)(C)[NH3+] ZINC000566631296 326070572 /nfs/dbraw/zinc/07/05/72/326070572.db2.gz VKWRUNLZOJPQHM-UHFFFAOYSA-N 2 0 240.307 0.160 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566739980 326079028 /nfs/dbraw/zinc/07/90/28/326079028.db2.gz LASWGRCEEFISKT-UXCLJVHYSA-N 2 0 237.347 0.323 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000566855182 326088143 /nfs/dbraw/zinc/08/81/43/326088143.db2.gz VLJWYAOQINOVQI-GXFFZTMASA-N 2 0 247.342 0.727 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000566913874 326093362 /nfs/dbraw/zinc/09/33/62/326093362.db2.gz OKHWMQUTNZRSBI-GHMZBOCLSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CC2(C[NH3+])CC2)CC[NH2+]1 ZINC000566972582 326096083 /nfs/dbraw/zinc/09/60/83/326096083.db2.gz KWYLAKPGYYBKIY-ZJUUUORDSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CC2(C[NH3+])CC2)CC[NH2+]1 ZINC000566972579 326098594 /nfs/dbraw/zinc/09/85/94/326098594.db2.gz KWYLAKPGYYBKIY-NXEZZACHSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000566972506 326098638 /nfs/dbraw/zinc/09/86/38/326098638.db2.gz FPXURFZDSHUOCJ-YEJSDXFRSA-N 2 0 239.363 0.761 20 0 BCADRP [NH3+]CCC1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000567175491 326129321 /nfs/dbraw/zinc/12/93/21/326129321.db2.gz NXDNJWVDRAFJKQ-PHIMTYICSA-N 2 0 225.336 0.311 20 0 BCADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)COC)CC1 ZINC000154327149 326139815 /nfs/dbraw/zinc/13/98/15/326139815.db2.gz NMWAESOMFDOEQZ-CYBMUJFWSA-N 2 0 243.395 0.639 20 0 BCADRP COC[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154438518 326144337 /nfs/dbraw/zinc/14/43/37/326144337.db2.gz MZYWSBRGFVDCDJ-CYBMUJFWSA-N 2 0 243.395 0.639 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000567236868 326148506 /nfs/dbraw/zinc/14/85/06/326148506.db2.gz SNRNSDLYUCDYMZ-RQJHMYQMSA-N 2 0 241.257 0.366 20 0 BCADRP CN1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CCC1=O ZINC000567260308 326152458 /nfs/dbraw/zinc/15/24/58/326152458.db2.gz GUICPHUYDZWUPV-IJLUTSLNSA-N 2 0 239.363 0.857 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000567272624 326154573 /nfs/dbraw/zinc/15/45/73/326154573.db2.gz PVXIABMVMYGJOD-VIFPVBQESA-N 2 0 213.325 0.243 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000155084612 326184168 /nfs/dbraw/zinc/18/41/68/326184168.db2.gz MRLZHHZKDHACDP-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000155237931 326189823 /nfs/dbraw/zinc/18/98/23/326189823.db2.gz GRJVHGSTRUIJHY-DCAQKATOSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[C@H](C(=O)NCC1=CC[NH2+]CC1)[C@@H](C)[NH3+] ZINC000567463314 326197386 /nfs/dbraw/zinc/19/73/86/326197386.db2.gz YTUCNTMLYGDZDO-PWSUYJOCSA-N 2 0 239.363 0.642 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000567469987 326199000 /nfs/dbraw/zinc/19/90/00/326199000.db2.gz FLQDJYCHFJCABG-VWYCJHECSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCC(CC[NH3+])CC1 ZINC000567481815 326201251 /nfs/dbraw/zinc/20/12/51/326201251.db2.gz WTRTZDMERMFODG-SNVBAGLBSA-N 2 0 227.352 0.701 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000567505065 326206492 /nfs/dbraw/zinc/20/64/92/326206492.db2.gz LFXSQZYDIZCPQQ-GMTAPVOTSA-N 2 0 227.352 0.428 20 0 BCADRP [NH3+]CCN(CCO)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000567508717 326207244 /nfs/dbraw/zinc/20/72/44/326207244.db2.gz PJFDVYMCVAJEKK-UHFFFAOYSA-N 3 0 249.358 0.085 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)CC[NH2+]C1CC1)C1CC1 ZINC000567626300 326231773 /nfs/dbraw/zinc/23/17/73/326231773.db2.gz JMQFAAQTUPHLMK-GFCCVEGCSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000567655661 326239775 /nfs/dbraw/zinc/23/97/75/326239775.db2.gz KWOWLNMCJRHNEM-DDHJBXDOSA-N 2 0 239.363 0.631 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567672777 326242682 /nfs/dbraw/zinc/24/26/82/326242682.db2.gz JETKGTJMOHZWQK-ZDUSSCGKSA-N 2 0 237.347 0.341 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000567715074 326250186 /nfs/dbraw/zinc/25/01/86/326250186.db2.gz JJFDHEZJMJFNGH-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H]1CC[C@@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000567724009 326251612 /nfs/dbraw/zinc/25/16/12/326251612.db2.gz PYAOEHVNVSPHAM-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CCCC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000567811712 326261539 /nfs/dbraw/zinc/26/15/39/326261539.db2.gz AZPLPOHBHYXZFP-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000567814941 326262096 /nfs/dbraw/zinc/26/20/96/326262096.db2.gz LZOBQBCQXHKYHD-QMMMGPOBSA-N 2 0 223.276 0.310 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000567823647 326263939 /nfs/dbraw/zinc/26/39/39/326263939.db2.gz FUAWMRCXBXJVJO-MNOVXSKESA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@@H]2O)CCCO1 ZINC000313349203 326264084 /nfs/dbraw/zinc/26/40/84/326264084.db2.gz LLPAAIZVDDVYRB-XQQFMLRXSA-N 2 0 242.363 0.587 20 0 BCADRP CN(C(=O)c1ccc2c(c1)C[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000567829344 326265322 /nfs/dbraw/zinc/26/53/22/326265322.db2.gz BNORZMVUEHSSNL-CYBMUJFWSA-N 2 0 245.326 0.724 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000567831046 326265915 /nfs/dbraw/zinc/26/59/15/326265915.db2.gz ISQQRBQZWDHNBR-WCQGTBRESA-N 2 0 239.363 0.700 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000567834236 326266312 /nfs/dbraw/zinc/26/63/12/326266312.db2.gz WJNWSCBNBHIQFG-STQMWFEESA-N 2 0 247.342 0.897 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000567833975 326266366 /nfs/dbraw/zinc/26/63/66/326266366.db2.gz RJLFLKIRVAZUFM-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]CCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000567834929 326266656 /nfs/dbraw/zinc/26/66/56/326266656.db2.gz UNADWHKOEJGYFT-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000567838639 326267483 /nfs/dbraw/zinc/26/74/83/326267483.db2.gz ZHDMLMYWRKKGEL-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567839049 326267875 /nfs/dbraw/zinc/26/78/75/326267875.db2.gz PUWGSBYNXNAMLA-IJLUTSLNSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000567846933 326268898 /nfs/dbraw/zinc/26/88/98/326268898.db2.gz XDYMHCZMZWMJNE-AXFHLTTASA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567883523 326273623 /nfs/dbraw/zinc/27/36/23/326273623.db2.gz ZOMSJDOAKDOCJT-KXUCPTDWSA-N 2 0 211.309 0.064 20 0 BCADRP Cc1noc(CCC[NH2+]CC2([NH3+])CCC2)n1 ZINC000567891162 326277501 /nfs/dbraw/zinc/27/75/01/326277501.db2.gz IKFUBQZYPAUAMP-UHFFFAOYSA-N 2 0 224.308 0.782 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000567901797 326280020 /nfs/dbraw/zinc/28/00/20/326280020.db2.gz SPLXKHIFWDUVIH-PEXQALLHSA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000567913602 326282566 /nfs/dbraw/zinc/28/25/66/326282566.db2.gz LISWLRGDOLUPJL-PHDIDXHHSA-N 2 0 227.230 0.120 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)CCC[NH3+])C1 ZINC000567982571 326290937 /nfs/dbraw/zinc/29/09/37/326290937.db2.gz BMSOQPTZTUQZJC-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP [NH3+][C@H](CC(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000163273186 326310343 /nfs/dbraw/zinc/31/03/43/326310343.db2.gz HMUKTTAFJGKXSQ-NWDGAFQWSA-N 2 0 233.315 0.555 20 0 BCADRP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC)C1)[NH+](C)C ZINC000158276577 326314836 /nfs/dbraw/zinc/31/48/36/326314836.db2.gz FVUQJBHQWRSMFF-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)N1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000568208022 326326328 /nfs/dbraw/zinc/32/63/28/326326328.db2.gz SDGRNJNBQVTZJQ-LLVKDONJSA-N 2 0 239.363 0.537 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000158531755 326326987 /nfs/dbraw/zinc/32/69/87/326326987.db2.gz XLJGAGCAHJFARF-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000568247904 326329904 /nfs/dbraw/zinc/32/99/04/326329904.db2.gz AIWMRGFVJHFQJW-XWLWVQCSSA-N 2 0 214.309 0.260 20 0 BCADRP CN(C(=O)CC[NH2+]C1CC1)C1(C[NH3+])CCC1 ZINC000568231201 326330052 /nfs/dbraw/zinc/33/00/52/326330052.db2.gz OCPNAIDIGKVIMM-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H]1C(C)C ZINC000568247392 326333747 /nfs/dbraw/zinc/33/37/47/326333747.db2.gz LFZAKRYMXPCFKF-CHWSQXEVSA-N 2 0 244.379 0.656 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000568248574 326334350 /nfs/dbraw/zinc/33/43/50/326334350.db2.gz VDIBVYJGADDZHJ-RHYQMDGZSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000568248573 326334348 /nfs/dbraw/zinc/33/43/48/326334348.db2.gz VDIBVYJGADDZHJ-KXNHARMFSA-N 2 0 211.353 0.844 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000568372090 326350692 /nfs/dbraw/zinc/35/06/92/326350692.db2.gz HZHUSHNFAZYPGB-LLVKDONJSA-N 2 0 242.367 0.317 20 0 BCADRP [NH3+]CCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000568643590 326370564 /nfs/dbraw/zinc/37/05/64/326370564.db2.gz PCISDJBUEHYPHL-UHFFFAOYSA-N 2 0 211.309 0.065 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000568738232 326374156 /nfs/dbraw/zinc/37/41/56/326374156.db2.gz ZJRJDWJEOPUNIE-WCFLWFBJSA-N 2 0 247.342 0.801 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000568747760 326374802 /nfs/dbraw/zinc/37/48/02/326374802.db2.gz MGPLAEDULRTXIL-AXFHLTTASA-N 2 0 225.336 0.276 20 0 BCADRP C[NH+](C)CCN(C(=O)CCCC[NH3+])C1CC1 ZINC000568863678 326379808 /nfs/dbraw/zinc/37/98/08/326379808.db2.gz DVRLZVZMTOQLFM-UHFFFAOYSA-N 2 0 227.352 0.668 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000568864840 326379869 /nfs/dbraw/zinc/37/98/69/326379869.db2.gz RKZQRAYDGJPPSD-HNCHTBHHSA-N 2 0 239.363 0.428 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]1CCC[NH2+]C1)[C@H](C)[NH3+] ZINC000568870769 326380436 /nfs/dbraw/zinc/38/04/36/326380436.db2.gz QGHVIERDMMQVGY-SRVKXCTJSA-N 2 0 241.379 0.722 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000568869400 326380455 /nfs/dbraw/zinc/38/04/55/326380455.db2.gz ZMLYDHBTEYQVGX-GARJFASQSA-N 2 0 227.352 0.665 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)C1C[NH2+]C1 ZINC000568878740 326380657 /nfs/dbraw/zinc/38/06/57/326380657.db2.gz ADAQTKNSXCUHLW-FXPVBKGRSA-N 2 0 225.336 0.099 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)C1C[NH2+]C1 ZINC000568878741 326380693 /nfs/dbraw/zinc/38/06/93/326380693.db2.gz ADAQTKNSXCUHLW-IQJOONFLSA-N 2 0 225.336 0.099 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C[NH2+]CC1CC1 ZINC000568998970 326385808 /nfs/dbraw/zinc/38/58/08/326385808.db2.gz LIPAHYSERSPGOI-MWLCHTKSSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](C)C[NH3+])cc1 ZINC000568999235 326385866 /nfs/dbraw/zinc/38/58/66/326385866.db2.gz ZPUVMVCGHKGBLN-RKDXNWHRSA-N 2 0 221.304 0.783 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000569110398 326390704 /nfs/dbraw/zinc/39/07/04/326390704.db2.gz UEYQPUVBKXJCKM-GARJFASQSA-N 2 0 225.336 0.182 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000569220365 326395715 /nfs/dbraw/zinc/39/57/15/326395715.db2.gz DDYBPBDIVDMIQJ-LBPRGKRZSA-N 2 0 249.358 0.412 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000569219255 326395779 /nfs/dbraw/zinc/39/57/79/326395779.db2.gz MRTOPFINRYWQGE-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC2(F)CC2)C1 ZINC000569243777 326397610 /nfs/dbraw/zinc/39/76/10/326397610.db2.gz NBXVIIVOHKSLFY-JTQLQIEISA-N 2 0 243.326 0.275 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000572750385 326408677 /nfs/dbraw/zinc/40/86/77/326408677.db2.gz PCVWGTZOCMZCKV-UMNHJUIQSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]CCN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000572842545 326414105 /nfs/dbraw/zinc/41/41/05/326414105.db2.gz HQLMRUIVGQVRRA-NEPJUHHUSA-N 2 0 227.352 0.163 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000165405641 326421795 /nfs/dbraw/zinc/42/17/95/326421795.db2.gz HEXDRZPWCXIIDA-MNOVXSKESA-N 2 0 229.368 0.770 20 0 BCADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc[nH]c1 ZINC000573167298 326432817 /nfs/dbraw/zinc/43/28/17/326432817.db2.gz APBZOGXFGQQNJH-UHFFFAOYSA-N 2 0 238.379 0.940 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000573245003 326435528 /nfs/dbraw/zinc/43/55/28/326435528.db2.gz CXIDXWJDBYDJGA-LPEHRKFASA-N 2 0 228.340 0.116 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000573245001 326437432 /nfs/dbraw/zinc/43/74/32/326437432.db2.gz CXIDXWJDBYDJGA-IVZWLZJFSA-N 2 0 228.340 0.116 20 0 BCADRP [NH3+]CCCc1cn(CC[NH+]2CCCC2)nn1 ZINC000229839232 487972971 /nfs/dbraw/zinc/97/29/71/487972971.db2.gz BTFSPQKNEXVFNV-UHFFFAOYSA-N 2 0 223.324 0.265 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000446408507 487980964 /nfs/dbraw/zinc/98/09/64/487980964.db2.gz KOIKAFZUQPYQOB-MXWKQRLJSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418202268 487982337 /nfs/dbraw/zinc/98/23/37/487982337.db2.gz IUKVZHZPACLANT-AXFHLTTASA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H](C(=O)N1CC[NH+]2CCC1CC2)[NH+](C)C ZINC000682568516 487990590 /nfs/dbraw/zinc/99/05/90/487990590.db2.gz XRLMVOLOZIDLJL-JTQLQIEISA-N 2 0 225.336 0.243 20 0 BCADRP CCN1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC000677182839 487993443 /nfs/dbraw/zinc/99/34/43/487993443.db2.gz MKRDGFQRFDRVQQ-GFCCVEGCSA-N 2 0 241.379 0.879 20 0 BCADRP CC[C@@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC[NH2+]1 ZINC000195260378 488012568 /nfs/dbraw/zinc/01/25/68/488012568.db2.gz BZZZLQPANUBWTK-LOWVWBTDSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H](CO)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000121050767 490074551 /nfs/dbraw/zinc/07/45/51/490074551.db2.gz OJXVBVFQBFWOGZ-QWHCGFSZSA-N 2 0 242.363 0.269 20 0 BCADRP C[C@@H](CO)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000121050937 490074581 /nfs/dbraw/zinc/07/45/81/490074581.db2.gz OJXVBVFQBFWOGZ-CHWSQXEVSA-N 2 0 242.363 0.269 20 0 BCADRP O=C(Nc1ccc2nccn2c1)[C@@H]1CSCN1 ZINC000074896643 488025177 /nfs/dbraw/zinc/02/51/77/488025177.db2.gz AMZZKJIYISZIMQ-VIFPVBQESA-N 2 0 248.311 0.935 20 0 BCADRP C[C@H](C(=O)NCc1cncn1C)N1CC(C)C1 ZINC000514613564 488028346 /nfs/dbraw/zinc/02/83/46/488028346.db2.gz JOPJSWUAGOXQNB-SNVBAGLBSA-N 2 0 236.319 0.377 20 0 BCADRP COCC(COC)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000388381677 488043259 /nfs/dbraw/zinc/04/32/59/488043259.db2.gz QWCUMZCQTLXTPM-NSHDSACASA-N 2 0 244.379 0.968 20 0 BCADRP C(N(C1CC1)C1CC[NH2+]CC1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663494824 488044989 /nfs/dbraw/zinc/04/49/89/488044989.db2.gz KZHCIDUOMXZGIN-SMDDNHRTSA-N 2 0 235.375 0.812 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655451132 488046665 /nfs/dbraw/zinc/04/66/65/488046665.db2.gz CSXMHAKWENVOAP-CKYFFXLPSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000084382475 488048340 /nfs/dbraw/zinc/04/83/40/488048340.db2.gz CXHWMETXOBSHMS-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP [NH3+][C@@H]1Cc2ccccc2N(C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663499954 488049255 /nfs/dbraw/zinc/04/92/55/488049255.db2.gz XSBCIIJNVSPTSC-GZBFAFLISA-N 2 0 243.354 0.986 20 0 BCADRP O=c1ccc(C[NH2+]CCC[NH+]2CCCC2)c[nH]1 ZINC000236412573 488059955 /nfs/dbraw/zinc/05/99/55/488059955.db2.gz UMTYDXSIBLYNKL-UHFFFAOYSA-N 2 0 235.331 0.950 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000235484543 488061985 /nfs/dbraw/zinc/06/19/85/488061985.db2.gz TWKJCGDIAOIBMA-GUBZILKMSA-N 2 0 213.325 0.180 20 0 BCADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[NH2+]C1 ZINC000257676049 488079344 /nfs/dbraw/zinc/07/93/44/488079344.db2.gz HSFQVGMRDAOIRD-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)CC[NH2+]C)C1 ZINC000389156811 488079790 /nfs/dbraw/zinc/07/97/90/488079790.db2.gz KWGWBFOESXHHHQ-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP CCCN1CC[C@H]([NH2+]C[C@@H](O)COC(C)C)C1 ZINC000389144569 488080079 /nfs/dbraw/zinc/08/00/79/488080079.db2.gz HXYDVKNWZGGPTB-QWHCGFSZSA-N 2 0 244.379 0.846 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC)C1 ZINC000389195345 488080565 /nfs/dbraw/zinc/08/05/65/488080565.db2.gz WZSUXHSHJBFXHA-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000257692118 488082569 /nfs/dbraw/zinc/08/25/69/488082569.db2.gz LZZCRSPUAOHUBZ-GHMZBOCLSA-N 2 0 225.336 0.420 20 0 BCADRP O[C@H](C[NH2+][C@H]1CCCC[C@@H]1O)C[NH+]1CCCC1 ZINC000226087759 488082883 /nfs/dbraw/zinc/08/28/83/488082883.db2.gz NREYEYKDUKTLQO-AGIUHOORSA-N 2 0 242.363 0.336 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000236720246 488084050 /nfs/dbraw/zinc/08/40/50/488084050.db2.gz CHNAFPBWGWIAHM-GHMZBOCLSA-N 2 0 227.352 0.476 20 0 BCADRP CN1CC[N@H+](CC[C@H]2CC[NH2+]C2)CCC1=O ZINC000257792348 488088876 /nfs/dbraw/zinc/08/88/76/488088876.db2.gz QGJQBMGYGQEGKK-LLVKDONJSA-N 2 0 225.336 0.150 20 0 BCADRP CN1CCN(C(=O)NCCC2CC2)[C@@H](C[NH3+])C1 ZINC000669504253 488091660 /nfs/dbraw/zinc/09/16/60/488091660.db2.gz CXJQYVMPUSEJEP-NSHDSACASA-N 2 0 240.351 0.071 20 0 BCADRP C(c1nc([C@H]2CCC[NH2+]2)no1)[C@H]1CCC[NH2+]1 ZINC000257994798 488094897 /nfs/dbraw/zinc/09/48/97/488094897.db2.gz LVRQLDHKDXHHCW-RKDXNWHRSA-N 2 0 222.292 0.789 20 0 BCADRP CC[C@H]([NH3+])C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000236958545 488097796 /nfs/dbraw/zinc/09/77/96/488097796.db2.gz SPCRRSUTWZUDIB-JTQLQIEISA-N 2 0 239.323 0.121 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CCC2)C1 ZINC000389475867 488098444 /nfs/dbraw/zinc/09/84/44/488098444.db2.gz WFBMILZIBYSXJA-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000236993857 488101221 /nfs/dbraw/zinc/10/12/21/488101221.db2.gz MEAKLHQISXHPPE-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000237059619 488101664 /nfs/dbraw/zinc/10/16/64/488101664.db2.gz NVQWAXHBTIZBRU-LLVKDONJSA-N 2 0 227.352 0.570 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000389650362 488104818 /nfs/dbraw/zinc/10/48/18/488104818.db2.gz NYSKIYLVBYFXED-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000389715619 488108581 /nfs/dbraw/zinc/10/85/81/488108581.db2.gz GKPHVWFXSWIWBY-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669509630 488109806 /nfs/dbraw/zinc/10/98/06/488109806.db2.gz JYNUTHCSOPSSQK-TUAOUCFPSA-N 2 0 239.363 0.633 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669509694 488109954 /nfs/dbraw/zinc/10/99/54/488109954.db2.gz OPWJRJFRBOZTBI-WDEREUQCSA-N 2 0 227.352 0.633 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000669509604 488109991 /nfs/dbraw/zinc/10/99/91/488109991.db2.gz HHTHMJYGHGNZCL-IJLUTSLNSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669509632 488110045 /nfs/dbraw/zinc/11/00/45/488110045.db2.gz JYNUTHCSOPSSQK-WOPDTQHZSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@]1(C(=O)NC[C@@H]2CCCC[NH2+]2)CCC[NH2+]1 ZINC000669509813 488110845 /nfs/dbraw/zinc/11/08/45/488110845.db2.gz YGAWFKABYXPZOL-CMPLNLGQSA-N 2 0 225.336 0.387 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669509783 488110861 /nfs/dbraw/zinc/11/08/61/488110861.db2.gz VLVKSUBUNFENJW-VIFPVBQESA-N 2 0 234.303 0.366 20 0 BCADRP C[C@]1(C(=O)NC[C@H]2CCCC[NH2+]2)CCC[NH2+]1 ZINC000669509816 488110919 /nfs/dbraw/zinc/11/09/19/488110919.db2.gz YGAWFKABYXPZOL-ZYHUDNBSSA-N 2 0 225.336 0.387 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)NCC[NH2+]C2CC2)cc1 ZINC000669510366 488112720 /nfs/dbraw/zinc/11/27/20/488112720.db2.gz RWBHIQJFDUKVGG-CYBMUJFWSA-N 2 0 247.342 0.863 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000669510337 488112684 /nfs/dbraw/zinc/11/26/84/488112684.db2.gz LEMSRKSGQWRGRT-JTQLQIEISA-N 2 0 241.722 0.675 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)CC1([NH3+])CCC1 ZINC000669511018 488114263 /nfs/dbraw/zinc/11/42/63/488114263.db2.gz HGDUBAXYTSBYKJ-SNVBAGLBSA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)[C@@H]1CN(C(=O)[C@H](C)[NH+](C)C)CC[N@@H+]1C ZINC000683136712 488117191 /nfs/dbraw/zinc/11/71/91/488117191.db2.gz BSVJXPUDEDJCTM-RYUDHWBXSA-N 2 0 241.379 0.735 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000669511886 488116986 /nfs/dbraw/zinc/11/69/86/488116986.db2.gz LMERORWAZREETL-NSHDSACASA-N 2 0 221.304 0.494 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000669511966 488117037 /nfs/dbraw/zinc/11/70/37/488117037.db2.gz PJNMANYXZAPNMS-CYBMUJFWSA-N 2 0 247.342 0.508 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000669512059 488117500 /nfs/dbraw/zinc/11/75/00/488117500.db2.gz UKZVMNDEVHAZSW-CYBMUJFWSA-N 2 0 235.331 0.668 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000669512130 488117778 /nfs/dbraw/zinc/11/77/78/488117778.db2.gz YBBSQHPFJJSIAO-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]CC1(C)C ZINC000669512433 488118609 /nfs/dbraw/zinc/11/86/09/488118609.db2.gz VBEORDCFWDLSNJ-VHSXEESVSA-N 2 0 225.336 0.195 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000669512443 488118617 /nfs/dbraw/zinc/11/86/17/488118617.db2.gz VOBGOPYMYZEHPT-ZWNOBZJWSA-N 2 0 237.347 0.196 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)NC[C@@H](C)[NH3+] ZINC000669512475 488118963 /nfs/dbraw/zinc/11/89/63/488118963.db2.gz DHPLEJFAYHXRGK-SNVBAGLBSA-N 2 0 230.356 0.365 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]CC1(C)C ZINC000669512453 488118756 /nfs/dbraw/zinc/11/87/56/488118756.db2.gz XWFYYBCSGNQKPA-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[NH2+]C1CC1 ZINC000669512591 488118862 /nfs/dbraw/zinc/11/88/62/488118862.db2.gz HHKQCABHAXHTLW-NSHDSACASA-N 2 0 227.352 0.570 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CC(C)C ZINC000669512731 488119552 /nfs/dbraw/zinc/11/95/52/488119552.db2.gz KZWFCRYUTXMTPR-WDEREUQCSA-N 2 0 229.368 0.994 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000669514899 488123811 /nfs/dbraw/zinc/12/38/11/488123811.db2.gz QDZOEDALJYDWAQ-MNOVXSKESA-N 2 0 227.352 0.761 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669514547 488124251 /nfs/dbraw/zinc/12/42/51/488124251.db2.gz MTQGFQSLHMVHPD-SECBINFHSA-N 2 0 234.303 0.366 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000669514783 488124030 /nfs/dbraw/zinc/12/40/30/488124030.db2.gz ICHPUTCNMDZVPU-NWDGAFQWSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000669514784 488124580 /nfs/dbraw/zinc/12/45/80/488124580.db2.gz ICHPUTCNMDZVPU-VXGBXAGGSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)[C@H]1CN(C(=O)c2c[nH+]ccc2N)CC[NH2+]1 ZINC000669514842 488124313 /nfs/dbraw/zinc/12/43/13/488124313.db2.gz MMUOGEMRNGSJKO-GFCCVEGCSA-N 2 0 248.330 0.564 20 0 BCADRP CC[C@H]1CN(C(=O)[C@@H]([NH3+])CC(C)C)CC[C@@H]1[NH3+] ZINC000669516051 488126102 /nfs/dbraw/zinc/12/61/02/488126102.db2.gz PQWOCJKUDJZEPT-SRVKXCTJSA-N 2 0 241.379 0.946 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000669516189 488126662 /nfs/dbraw/zinc/12/66/62/488126662.db2.gz WVMZAZNGJPUKLO-WYUUTHIRSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000669517715 488129401 /nfs/dbraw/zinc/12/94/01/488129401.db2.gz DOMHEOOLWZUWBM-BXUZGUMPSA-N 2 0 247.342 0.381 20 0 BCADRP C[C@@H](C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000674264557 487541053 /nfs/dbraw/zinc/54/10/53/487541053.db2.gz YSKJTJBSNKTCCG-WDEREUQCSA-N 2 0 239.363 0.537 20 0 BCADRP c1cn(C[C@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)nn1 ZINC000662297041 487544196 /nfs/dbraw/zinc/54/41/96/487544196.db2.gz YIAJXGQXLJIFQT-RYUDHWBXSA-N 2 0 235.335 0.210 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000674288556 487544543 /nfs/dbraw/zinc/54/45/43/487544543.db2.gz GHEKWEWLIBUUKE-DCAQKATOSA-N 2 0 227.352 0.535 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000162245710 487545336 /nfs/dbraw/zinc/54/53/36/487545336.db2.gz POPZSIKTGVBNND-LOWVWBTDSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000162248535 487546529 /nfs/dbraw/zinc/54/65/29/487546529.db2.gz KOIKAFZUQPYQOB-VWYCJHECSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000674288452 487549741 /nfs/dbraw/zinc/54/97/41/487549741.db2.gz ATOXWWMCQZGJID-GRYCIOLGSA-N 2 0 241.379 0.735 20 0 BCADRP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)[NH+](C)C ZINC000674288454 487549528 /nfs/dbraw/zinc/54/95/28/487549528.db2.gz ATOXWWMCQZGJID-SRVKXCTJSA-N 2 0 241.379 0.735 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)[NH+](C)C ZINC000674289296 487550510 /nfs/dbraw/zinc/55/05/10/487550510.db2.gz DCAUHQWOWWDMEE-QWRGUYRKSA-N 2 0 227.352 0.347 20 0 BCADRP CCC[NH+]1CCC([NH2+]CCCNC(C)=O)CC1 ZINC000121305837 490081498 /nfs/dbraw/zinc/08/14/98/490081498.db2.gz BSOLFDMPGVSXIU-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP OCCC[N@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000086703805 487533252 /nfs/dbraw/zinc/53/32/52/487533252.db2.gz BXOCRXRCZUKLNA-UHFFFAOYSA-N 2 0 212.337 0.833 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000237461948 487473979 /nfs/dbraw/zinc/47/39/79/487473979.db2.gz JQQYMYMGFSBANL-WDEREUQCSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)[NH+]1CCCC1 ZINC000161092984 487475579 /nfs/dbraw/zinc/47/55/79/487475579.db2.gz FDBSLTYBBUONEK-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)[NH+]1CCCC1 ZINC000161092596 487475822 /nfs/dbraw/zinc/47/58/22/487475822.db2.gz FDBSLTYBBUONEK-WCQYABFASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)CC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000237539778 487482355 /nfs/dbraw/zinc/48/23/55/487482355.db2.gz RIAGQNPMJIUTBD-VHSXEESVSA-N 2 0 239.363 0.855 20 0 BCADRP COCC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000070543329 487483436 /nfs/dbraw/zinc/48/34/36/487483436.db2.gz KVXOOLBGQZFSIN-LBPRGKRZSA-N 2 0 212.337 0.954 20 0 BCADRP C[C@@H]1CCCN(C(=O)CC2([NH3+])CCC2)[C@H]1C[NH3+] ZINC000237483576 487476670 /nfs/dbraw/zinc/47/66/70/487476670.db2.gz BBYIWSCFBJESBO-MNOVXSKESA-N 2 0 239.363 0.844 20 0 BCADRP C[C@@]1(C(=O)NC[C@@H]2CCCC[NH2+]2)CCC[NH2+]C1 ZINC000237505206 487479465 /nfs/dbraw/zinc/47/94/65/487479465.db2.gz HHQQAZBTLASZBF-WCQYABFASA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H](C(=O)NC1(C[NH+](C)C)CCC1)[NH+](C)C ZINC000684989136 487485622 /nfs/dbraw/zinc/48/56/22/487485622.db2.gz BICAYVVGDYDEME-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])[NH+](C)C ZINC000237573946 487485848 /nfs/dbraw/zinc/48/58/48/487485848.db2.gz FFFJRWMUBVUHDJ-GARJFASQSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@@H](C(=O)N(C)C1CC[NH2+]CC1)[NH+](C)C ZINC000237610313 487492802 /nfs/dbraw/zinc/49/28/02/487492802.db2.gz ZGAYSXLXSABTHL-VIFPVBQESA-N 2 0 213.325 0.147 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000086270988 487494207 /nfs/dbraw/zinc/49/42/07/487494207.db2.gz LIJDGOCQJVOQLJ-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000144673477 487497256 /nfs/dbraw/zinc/49/72/56/487497256.db2.gz SBKLSHBXDRZFQL-MNOVXSKESA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]1CCCN(C(=O)CC2([NH3+])CCC2)[C@H]1C[NH3+] ZINC000237683299 487499771 /nfs/dbraw/zinc/49/97/71/487499771.db2.gz BBYIWSCFBJESBO-QWRGUYRKSA-N 2 0 239.363 0.844 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)C1 ZINC000086404423 487501005 /nfs/dbraw/zinc/50/10/05/487501005.db2.gz IMMZTIHIOJACTC-AEJSXWLSSA-N 2 0 211.309 0.125 20 0 BCADRP CCO[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000086435538 487507009 /nfs/dbraw/zinc/50/70/09/487507009.db2.gz JHPBZIDWLPDMCS-LLVKDONJSA-N 2 0 216.325 0.463 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000169813078 487506994 /nfs/dbraw/zinc/50/69/94/487506994.db2.gz VMNZYFNBIHCKEX-NSHDSACASA-N 2 0 219.288 0.836 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000150993473 487507580 /nfs/dbraw/zinc/50/75/80/487507580.db2.gz YRXUFCIQTSAUAI-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000169808880 487508484 /nfs/dbraw/zinc/50/84/84/487508484.db2.gz QNXVJQNQPJJPIU-GHMZBOCLSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662267881 487509109 /nfs/dbraw/zinc/50/91/09/487509109.db2.gz YTPUPMSSJWSKDQ-GRYCIOLGSA-N 2 0 239.363 0.190 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C(F)F)C1 ZINC000300354838 487509509 /nfs/dbraw/zinc/50/95/09/487509509.db2.gz KCYBVTJIHAVQGW-PRJMDXOYSA-N 2 0 208.252 0.472 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000085365061 488163465 /nfs/dbraw/zinc/16/34/65/488163465.db2.gz NRNQIYXRAOIHOW-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP CCn1cc(C[NH2+][C@H](CCC[NH3+])COC)nn1 ZINC000404472163 488165786 /nfs/dbraw/zinc/16/57/86/488165786.db2.gz ZXENBACMZKYSDN-SNVBAGLBSA-N 2 0 241.339 0.142 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000040673742 488168223 /nfs/dbraw/zinc/16/82/23/488168223.db2.gz KZCLDQFRMIIBEI-LLVKDONJSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947965 487889846 /nfs/dbraw/zinc/88/98/46/487889846.db2.gz LXXHNWIAOJLKIU-RHYQMDGZSA-N 2 0 229.343 0.807 20 0 BCADRP O=C(Nc1ccc2nccn2c1)[C@H]1CSCN1 ZINC000074896645 488025674 /nfs/dbraw/zinc/02/56/74/488025674.db2.gz AMZZKJIYISZIMQ-SECBINFHSA-N 2 0 248.311 0.935 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663498811 488047622 /nfs/dbraw/zinc/04/76/22/488047622.db2.gz UDVYEOAKABZANL-SCVCMEIPSA-N 2 0 209.337 0.326 20 0 BCADRP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403140655 488116017 /nfs/dbraw/zinc/11/60/17/488116017.db2.gz CZEHFZNSZYKZBT-WRWGMCAJSA-N 2 0 212.337 0.674 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)CC(C)(C)[NH3+] ZINC000230712097 488141141 /nfs/dbraw/zinc/14/11/41/488141141.db2.gz JCCUOIVVXJTGEK-UHFFFAOYSA-N 2 0 229.368 0.914 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC1CC([NH+](C)C)C1 ZINC000670402348 488143767 /nfs/dbraw/zinc/14/37/67/488143767.db2.gz WABSWPHRDCGUDJ-UHFFFAOYSA-N 2 0 227.352 0.535 20 0 BCADRP CC[N@H+](CC(=O)NC1CC([NH+](C)C)C1)C1CC1 ZINC000670402305 488144012 /nfs/dbraw/zinc/14/40/12/488144012.db2.gz UFLSPMDTIHJSEM-UHFFFAOYSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)C[C@H](CNC(=O)COCC[NH3+])[NH+](C)C ZINC000093231918 488146440 /nfs/dbraw/zinc/14/64/40/488146440.db2.gz VLOGYFUPILGXFD-LLVKDONJSA-N 2 0 245.367 0.054 20 0 BCADRP CC(C)C[C@@H](CNC(=O)COCC[NH3+])[NH+](C)C ZINC000093231917 488146591 /nfs/dbraw/zinc/14/65/91/488146591.db2.gz VLOGYFUPILGXFD-NSHDSACASA-N 2 0 245.367 0.054 20 0 BCADRP CN(C(=O)CC1([NH3+])CCC1)[C@@H](C[NH3+])C1CC1 ZINC000669521202 488149505 /nfs/dbraw/zinc/14/95/05/488149505.db2.gz PRCOSLKKXKPECO-JTQLQIEISA-N 2 0 225.336 0.454 20 0 BCADRP CN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@@H](C[NH3+])C1CC1 ZINC000669521176 488151818 /nfs/dbraw/zinc/15/18/18/488151818.db2.gz KNRSXFLCVVSVJG-RYUDHWBXSA-N 2 0 239.363 0.714 20 0 BCADRP O[C@@H]1CCCC[C@H]1[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283241 488155996 /nfs/dbraw/zinc/15/59/96/488155996.db2.gz WSPNSQQOVLXHKX-WRWGMCAJSA-N 2 0 210.321 0.441 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCc1ccnn1C ZINC000230775537 488156668 /nfs/dbraw/zinc/15/66/68/488156668.db2.gz BOXPYVJGXXTONR-GHMZBOCLSA-N 2 0 222.336 0.632 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1ccnn1C ZINC000230775481 488156855 /nfs/dbraw/zinc/15/68/55/488156855.db2.gz SDCQFIXMFUBVLV-MNOVXSKESA-N 2 0 222.336 0.774 20 0 BCADRP CCn1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nn1 ZINC000404432632 488159924 /nfs/dbraw/zinc/15/99/24/488159924.db2.gz AAEJBTZMYGISTJ-SDDRHHMPSA-N 2 0 249.362 0.776 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085373381 488164174 /nfs/dbraw/zinc/16/41/74/488164174.db2.gz PXPXRDIIPKBATH-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000648179361 488165438 /nfs/dbraw/zinc/16/54/38/488165438.db2.gz OBFLTNRXFNDMEY-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000669524882 488165531 /nfs/dbraw/zinc/16/55/31/488165531.db2.gz YSUFGCAUACFHPV-UWVGGRQHSA-N 2 0 244.383 0.609 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000390554834 488166314 /nfs/dbraw/zinc/16/63/14/488166314.db2.gz PZACQFIYVQIGGJ-AEJSXWLSSA-N 2 0 213.325 0.452 20 0 BCADRP CC[N@@H+]1C[C@@H](C)N(C(=O)[C@H](C)[NH+](C)C)C[C@@H]1C ZINC000677974107 488167698 /nfs/dbraw/zinc/16/76/98/488167698.db2.gz DYPXJRJTGKGGEX-TUAOUCFPSA-N 2 0 241.379 0.878 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(C(=O)[C@H](C)[NH+](C)C)C[C@H]1C ZINC000677974113 488167764 /nfs/dbraw/zinc/16/77/64/488167764.db2.gz DYPXJRJTGKGGEX-WOPDTQHZSA-N 2 0 241.379 0.878 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)CC(C)(C)[NH3+] ZINC000390677220 488173101 /nfs/dbraw/zinc/17/31/01/488173101.db2.gz YDLLXFBLFAEQJB-UHFFFAOYSA-N 2 0 215.341 0.557 20 0 BCADRP [NH3+]CCCn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000404657389 488173105 /nfs/dbraw/zinc/17/31/05/488173105.db2.gz USSCIVJQLOBPQE-SECBINFHSA-N 2 0 209.297 0.094 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000167528042 488176017 /nfs/dbraw/zinc/17/60/17/488176017.db2.gz XPYQBTPMGIMFMN-SRVKXCTJSA-N 2 0 239.363 0.666 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000399089766 488176460 /nfs/dbraw/zinc/17/64/60/488176460.db2.gz WAKFPZNNVJBETD-VXGBXAGGSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000669528890 488176521 /nfs/dbraw/zinc/17/65/21/488176521.db2.gz PPVRYQHALLWSKT-WCABBAIRSA-N 2 0 240.351 0.116 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)C[NH3+] ZINC000669530123 488178370 /nfs/dbraw/zinc/17/83/70/488178370.db2.gz RCPUWSHRBXDPAH-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H](C)[NH3+] ZINC000669530265 488178538 /nfs/dbraw/zinc/17/85/38/488178538.db2.gz YETPPTBURUQFSN-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP [NH3+]C1(CC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000398029549 488186680 /nfs/dbraw/zinc/18/66/80/488186680.db2.gz IVNLLZWVQXENGQ-UHFFFAOYSA-N 2 0 243.376 0.033 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CC(C)(C)[NH3+] ZINC000309778516 488192045 /nfs/dbraw/zinc/19/20/45/488192045.db2.gz MIRUZAARBVLCDI-IUCAKERBSA-N 2 0 213.325 0.310 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000668742908 488197332 /nfs/dbraw/zinc/19/73/32/488197332.db2.gz QJHPTYRUTXAUIN-LLVKDONJSA-N 2 0 239.363 0.491 20 0 BCADRP [NH3+]C1(CC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000398051520 488197725 /nfs/dbraw/zinc/19/77/25/488197725.db2.gz DNTYCZABSOMGKO-MNOVXSKESA-N 2 0 237.347 0.611 20 0 BCADRP CC(C)C[C@H](CNC(=O)CC1([NH3+])CC1)[NH+](C)C ZINC000398080552 488208524 /nfs/dbraw/zinc/20/85/24/488208524.db2.gz NKOOGNREQVAGDM-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)C[C@@H](CNC(=O)CC1([NH3+])CC1)[NH+](C)C ZINC000398080553 488208922 /nfs/dbraw/zinc/20/89/22/488208922.db2.gz NKOOGNREQVAGDM-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP CC[N@H+](CC(C)C)C[C@H]1CNCCO1 ZINC000043802175 488209038 /nfs/dbraw/zinc/20/90/38/488209038.db2.gz BKPOJZIUCUOCFV-LLVKDONJSA-N 2 0 200.326 0.953 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)CC2([NH3+])CC2)C1 ZINC000398099976 488210676 /nfs/dbraw/zinc/21/06/76/488210676.db2.gz HIJRTVIVVJNYCL-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)CC2([NH3+])CC2)C1 ZINC000398113686 488211069 /nfs/dbraw/zinc/21/10/69/488211069.db2.gz YCUMNGNFCLBNCW-NSHDSACASA-N 2 0 239.363 0.811 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CC1([NH3+])CC1 ZINC000398110615 488211216 /nfs/dbraw/zinc/21/12/16/488211216.db2.gz YIWSYCCKPAYPDM-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H](CNC(=O)CC1([NH3+])CC1)C[NH+]1CCCC1 ZINC000398125022 488211247 /nfs/dbraw/zinc/21/12/47/488211247.db2.gz ICKUCOJYHQIBHX-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)CC2([NH3+])CC2)C1 ZINC000398113685 488211294 /nfs/dbraw/zinc/21/12/94/488211294.db2.gz YCUMNGNFCLBNCW-LLVKDONJSA-N 2 0 239.363 0.811 20 0 BCADRP CN(C(=O)CC1([NH3+])CC1)C1CC[NH+](C)CC1 ZINC000398118780 488211410 /nfs/dbraw/zinc/21/14/10/488211410.db2.gz QEGQNBUZYDALKK-UHFFFAOYSA-N 2 0 225.336 0.420 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH+](C)C ZINC000672320681 488250731 /nfs/dbraw/zinc/25/07/31/488250731.db2.gz PNLQVFDCHBAVNV-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000672516604 488257723 /nfs/dbraw/zinc/25/77/23/488257723.db2.gz GLEBCSQXDXPQPC-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H](C(=O)N(C)[C@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000078750359 490058330 /nfs/dbraw/zinc/05/83/30/490058330.db2.gz BQRXSRYVKLZASY-QWRGUYRKSA-N 2 0 227.352 0.489 20 0 BCADRP [NH3+]C1(C(=O)N2CCC[NH2+]CC2)CC2(CCC2)C1 ZINC000662396120 490065227 /nfs/dbraw/zinc/06/52/27/490065227.db2.gz PSHAKTWBKDUFLB-UHFFFAOYSA-N 2 0 237.347 0.470 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C(C)(C)O ZINC000382862345 490138697 /nfs/dbraw/zinc/13/86/97/490138697.db2.gz MVHZEWNSAJOUDN-NWDGAFQWSA-N 2 0 246.395 0.779 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C(C)(C)O ZINC000382862344 490138996 /nfs/dbraw/zinc/13/89/96/490138996.db2.gz MVHZEWNSAJOUDN-NEPJUHHUSA-N 2 0 246.395 0.779 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000493816370 490156061 /nfs/dbraw/zinc/15/60/61/490156061.db2.gz IZVNNTQUVJZRJJ-MMWGEVLESA-N 2 0 227.352 0.698 20 0 BCADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCOC2)CC1 ZINC000070463829 490215685 /nfs/dbraw/zinc/21/56/85/490215685.db2.gz YSGJJOKHBKLSFL-CYBMUJFWSA-N 2 0 241.379 0.393 20 0 BCADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+](C)C)C1 ZINC000078700887 490219293 /nfs/dbraw/zinc/21/92/93/490219293.db2.gz HZLXWCZQDBMSQI-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH+](C)C ZINC000078737515 490222848 /nfs/dbraw/zinc/22/28/48/490222848.db2.gz ZHALUDOHGANDFR-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000662967971 490247823 /nfs/dbraw/zinc/24/78/23/490247823.db2.gz DCPZBFPIGZJHRI-JBLDHEPKSA-N 2 0 225.336 0.100 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062851847 490366310 /nfs/dbraw/zinc/36/63/10/490366310.db2.gz DTIFEFWQFBFUJI-ZDUSSCGKSA-N 2 0 241.379 0.834 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)NC[C@@H]1CCCC[NH2+]1 ZINC000130732295 490448895 /nfs/dbraw/zinc/44/88/95/490448895.db2.gz RUZSQKFEJVEOJI-MNOVXSKESA-N 2 0 225.336 0.387 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000129086184 490599950 /nfs/dbraw/zinc/59/99/50/490599950.db2.gz CFWLOFHQSLGMMN-BBBLOLIVSA-N 2 0 213.325 0.310 20 0 BCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC[NH2+]C1CC1 ZINC000131805041 490657521 /nfs/dbraw/zinc/65/75/21/490657521.db2.gz RPSGDMHKLVAJKR-ZDUSSCGKSA-N 2 0 247.342 0.425 20 0 BCADRP OCC[C@H]1CSCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000393776557 490689527 /nfs/dbraw/zinc/68/95/27/490689527.db2.gz YGMGWICYUNKRQU-MNOVXSKESA-N 2 0 230.377 0.396 20 0 BCADRP C[NH+](C)C/C=C/C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000491849944 491080884 /nfs/dbraw/zinc/08/08/84/491080884.db2.gz XALZESZJGYBWOV-PGLGOXFNSA-N 2 0 237.347 0.457 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H](C)C[NH3+])CC[C@H]1[NH3+] ZINC000381469691 491089601 /nfs/dbraw/zinc/08/96/01/491089601.db2.gz NUTDATUWDYFBHU-IVZWLZJFSA-N 2 0 213.325 0.167 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)C1CC[NH2+]CC1 ZINC000662399059 491099789 /nfs/dbraw/zinc/09/97/89/491099789.db2.gz FLSNBPJEOCQZCB-JTQLQIEISA-N 2 0 213.325 0.195 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000340170002 491111984 /nfs/dbraw/zinc/11/19/84/491111984.db2.gz XIIGZPKTXXWPPT-VWYCJHECSA-N 2 0 227.352 0.700 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)[C@H]2CC[NH2+]2)c1 ZINC000309605358 491120465 /nfs/dbraw/zinc/12/04/65/491120465.db2.gz LBDMEZMPNVNTFI-SNVBAGLBSA-N 2 0 205.261 0.446 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C(C)(C)[NH3+] ZINC000049559624 491128831 /nfs/dbraw/zinc/12/88/31/491128831.db2.gz SIOYUDSPQMQQDG-MRVPVSSYSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@H]([NH2+]C[C@@]1(O)CCOC1)C1CC[NH+](C)CC1 ZINC000090849908 491129859 /nfs/dbraw/zinc/12/98/59/491129859.db2.gz AFADXRHYAUWIJG-AAEUAGOBSA-N 2 0 242.363 0.458 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000644094835 491160538 /nfs/dbraw/zinc/16/05/38/491160538.db2.gz QVWMBHBDBAWSFZ-SNVBAGLBSA-N 2 0 225.336 0.100 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000262949922 535493127 /nfs/dbraw/zinc/49/31/27/535493127.db2.gz VIXVUCMTGCXCNH-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000493897307 533804934 /nfs/dbraw/zinc/80/49/34/533804934.db2.gz NDODYNJMQCYJSI-AXFHLTTASA-N 2 0 227.352 0.748 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262594655 535521447 /nfs/dbraw/zinc/52/14/47/535521447.db2.gz WTMIKBUCBBJZTJ-GFCCVEGCSA-N 2 0 229.368 0.947 20 0 BCADRP COC(=O)N1CC([NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000496434267 533932985 /nfs/dbraw/zinc/93/29/85/533932985.db2.gz DYUIJXNOOLQIJD-HTQZYQBOSA-N 2 0 215.297 0.152 20 0 BCADRP COC(=O)N1CCC([NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000496652350 533946476 /nfs/dbraw/zinc/94/64/76/533946476.db2.gz WIQNFWARBVNZPE-ZJUUUORDSA-N 2 0 243.351 0.933 20 0 BCADRP C[NH+](C)C[C@H](O)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250344393 535955097 /nfs/dbraw/zinc/95/50/97/535955097.db2.gz FHYHZIZHPBDJHO-FRRDWIJNSA-N 2 0 241.379 0.125 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000470174833 534271766 /nfs/dbraw/zinc/27/17/66/534271766.db2.gz WKWCSQOZGLKMME-NTZNESFSSA-N 2 0 239.363 0.844 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCCC[NH3+])CC[C@@H]21 ZINC000891985788 582753559 /nfs/dbraw/zinc/75/35/59/582753559.db2.gz KBVLVSZMSZCTDT-MNOVXSKESA-N 2 0 240.351 0.071 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)NCCC[NH3+] ZINC000891985374 582752844 /nfs/dbraw/zinc/75/28/44/582752844.db2.gz AURFHYFEYOPCFD-UHFFFAOYSA-N 2 0 230.356 0.496 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000309259289 517436727 /nfs/dbraw/zinc/43/67/27/517436727.db2.gz CYRANKPDDBFXBP-MRVPVSSYSA-N 2 0 237.294 0.425 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NC1CCC([NH3+])CC1 ZINC000892023404 582764839 /nfs/dbraw/zinc/76/48/39/582764839.db2.gz WUMIWOJDSQNCOB-QPBDYMMBSA-N 2 0 240.351 0.387 20 0 BCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(CC[NH3+])C1 ZINC000261536377 536181273 /nfs/dbraw/zinc/18/12/73/536181273.db2.gz RMFQXZFQGKZBBP-LBPRGKRZSA-N 2 0 211.353 0.609 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892036957 582769057 /nfs/dbraw/zinc/76/90/57/582769057.db2.gz RYDXDLPCDCPUQY-UWVGGRQHSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892045802 582771601 /nfs/dbraw/zinc/77/16/01/582771601.db2.gz WMPDPJKRHYINHV-GMTAPVOTSA-N 2 0 242.367 0.398 20 0 BCADRP CCN(C(=O)N[C@@H](C)CC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000892053489 582775383 /nfs/dbraw/zinc/77/53/83/582775383.db2.gz LGLVBUFVNFKNLK-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892142247 582799666 /nfs/dbraw/zinc/79/96/66/582799666.db2.gz MUBBVYSWZQSWCH-RKVXJDFWSA-N 2 0 240.351 0.387 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892139441 582798860 /nfs/dbraw/zinc/79/88/60/582798860.db2.gz CEJLMSAOIPOQRS-NXEZZACHSA-N 2 0 228.340 0.247 20 0 BCADRP CCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])[C@H]1CC[NH2+]C1 ZINC000892144075 582800602 /nfs/dbraw/zinc/80/06/02/582800602.db2.gz HLHPDFBSWDMPAI-BBBLOLIVSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892144216 582800747 /nfs/dbraw/zinc/80/07/47/582800747.db2.gz SSFCJQOLXYYZFG-LMLFDSFASA-N 2 0 242.367 0.539 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000892143638 582799876 /nfs/dbraw/zinc/79/98/76/582799876.db2.gz FDPLYGZAQFZCRT-GARJFASQSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892200016 582807450 /nfs/dbraw/zinc/80/74/50/582807450.db2.gz OYKMSEZYPGLWPF-JXUBOQSCSA-N 2 0 228.340 0.149 20 0 BCADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCCNC(=O)C1 ZINC000111825008 582818276 /nfs/dbraw/zinc/81/82/76/582818276.db2.gz GEOWRFMOJJLOQG-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000261552412 536441246 /nfs/dbraw/zinc/44/12/46/536441246.db2.gz RJZZNEZGHVSIBX-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]CCC(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335075064 536443387 /nfs/dbraw/zinc/44/33/87/536443387.db2.gz YNLKHVXDPJTHAC-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP COCCOCC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000261567783 536517350 /nfs/dbraw/zinc/51/73/50/536517350.db2.gz FCDCNMVXQIQZGQ-LLVKDONJSA-N 2 0 216.325 0.366 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000493937166 528344753 /nfs/dbraw/zinc/34/47/53/528344753.db2.gz NZAVLNHSGDTWOD-WDEREUQCSA-N 2 0 229.368 0.818 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@H]1C ZINC000892568527 582915339 /nfs/dbraw/zinc/91/53/39/582915339.db2.gz VOBARFZEAFFASN-NAKRPEOUSA-N 2 0 240.351 0.116 20 0 BCADRP CCC[NH2+]CCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494684401 528483530 /nfs/dbraw/zinc/48/35/30/528483530.db2.gz DRVQAEARPOPBRO-LLVKDONJSA-N 2 0 227.352 0.634 20 0 BCADRP CCOC(=O)N(C)C1CC[NH+](CCC[NH3+])CC1 ZINC000496530322 528938415 /nfs/dbraw/zinc/93/84/15/528938415.db2.gz VXHCGEPEGXOLDA-UHFFFAOYSA-N 2 0 243.351 0.888 20 0 BCADRP CC[N@@H+]1CCN(C(=O)/C=C\C[NH+](C)C)[C@H](C)C1 ZINC000492808031 529108362 /nfs/dbraw/zinc/10/83/62/529108362.db2.gz ZDAOFVYGRLKDEF-ZHRWSRJISA-N 2 0 239.363 0.657 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc(C[NH3+])o1 ZINC000335662813 534985742 /nfs/dbraw/zinc/98/57/42/534985742.db2.gz LPKOSECNAWWQTI-SNVBAGLBSA-N 2 0 237.303 0.609 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000261548683 535060285 /nfs/dbraw/zinc/06/02/85/535060285.db2.gz NVMXCCLTTKETMI-UTLUCORTSA-N 2 0 213.325 0.356 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217805861 535059565 /nfs/dbraw/zinc/05/95/65/535059565.db2.gz ZAMSGQAZDDQKKC-SRVKXCTJSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169027753 535060264 /nfs/dbraw/zinc/06/02/64/535060264.db2.gz WODLEYTUKVXNSW-SRVKXCTJSA-N 2 0 241.379 0.959 20 0 BCADRP CCCNC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261548852 535068353 /nfs/dbraw/zinc/06/83/53/535068353.db2.gz JWICRIUSJCMRTG-UHFFFAOYSA-N 2 0 239.363 0.588 20 0 BCADRP CC(C)C[NH+]1CCC(NC(=O)C[C@@H](C)[NH3+])CC1 ZINC000261802929 535068377 /nfs/dbraw/zinc/06/83/77/535068377.db2.gz LGRYSSCRYXVGDW-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](C)[NH3+])C1 ZINC000261869156 535129405 /nfs/dbraw/zinc/12/94/05/535129405.db2.gz QIEXGJJUAGSVNN-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000335361690 535184933 /nfs/dbraw/zinc/18/49/33/535184933.db2.gz VCINGLZJGKMVGI-UHFFFAOYSA-N 2 0 242.367 0.459 20 0 BCADRP CC(C)([NH3+])CNC(=O)C1(C[NH3+])CCCC1 ZINC000261590462 535200652 /nfs/dbraw/zinc/20/06/52/535200652.db2.gz UNMZIKFQVAEWGN-UHFFFAOYSA-N 2 0 213.325 0.359 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263254411 535206565 /nfs/dbraw/zinc/20/65/65/535206565.db2.gz QJJNENMXJTZIBR-SKDRFNHKSA-N 2 0 227.352 0.748 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)CC[C@@H](C)[NH3+] ZINC000261552498 535353287 /nfs/dbraw/zinc/35/32/87/535353287.db2.gz RNSUDYNVKPYQHO-ZJUUUORDSA-N 2 0 215.341 0.748 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000262651301 535363141 /nfs/dbraw/zinc/36/31/41/535363141.db2.gz XPPKRQIIJMJSOW-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179052126 535487508 /nfs/dbraw/zinc/48/75/08/535487508.db2.gz CCNIEOYGIMPMEO-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000335392654 535494557 /nfs/dbraw/zinc/49/45/57/535494557.db2.gz NEESTKJRWVTVKA-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000261929266 535505374 /nfs/dbraw/zinc/50/53/74/535505374.db2.gz YRZLHLMXRNVANT-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)CCC1CC[NH2+]CC1 ZINC000262486416 535510619 /nfs/dbraw/zinc/51/06/19/535510619.db2.gz SOLYMPXGQMGPNZ-LLVKDONJSA-N 2 0 241.379 0.880 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C[NH3+])C(C)C)C1 ZINC000250370916 535533441 /nfs/dbraw/zinc/53/34/41/535533441.db2.gz VPKIBRHVOYGNAQ-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@]1(CC)CC[NH2+]C1 ZINC000062887515 535538965 /nfs/dbraw/zinc/53/89/65/535538965.db2.gz RHBXPUAJUYTYBN-CYBMUJFWSA-N 2 0 241.379 0.834 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C[NH2+]CCOC ZINC000092509846 535586706 /nfs/dbraw/zinc/58/67/06/535586706.db2.gz UVLDGUNACRJIBV-NSHDSACASA-N 2 0 245.367 0.069 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000163845387 535601523 /nfs/dbraw/zinc/60/15/23/535601523.db2.gz JADMSRAGWPDHEP-JQWIXIFHSA-N 2 0 239.363 0.442 20 0 BCADRP CC[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CCC1 ZINC000262004967 535703843 /nfs/dbraw/zinc/70/38/43/535703843.db2.gz DWTUFJKTWRLKGE-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H](C)C[NH3+] ZINC000261593150 535743247 /nfs/dbraw/zinc/74/32/47/535743247.db2.gz WQUVXWLNNVJBPO-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089461121 535830955 /nfs/dbraw/zinc/83/09/55/535830955.db2.gz WGPFXACUWRJZCO-NEPJUHHUSA-N 2 0 241.379 0.819 20 0 BCADRP C[NH+](C)CCCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000084381557 535836945 /nfs/dbraw/zinc/83/69/45/535836945.db2.gz HTUPLYYBCYZNBA-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP Cn1cncc1CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000347783058 535964397 /nfs/dbraw/zinc/96/43/97/535964397.db2.gz MHIKGHYBZOJOIY-GFCCVEGCSA-N 2 0 236.363 0.846 20 0 BCADRP CC[C@@]1(C(=O)NC[C@@H](C)[NH2+]C)CCC[NH2+]1 ZINC000261556544 536024570 /nfs/dbraw/zinc/02/45/70/536024570.db2.gz WAVWBBYAVIAHMO-KOLCDFICSA-N 2 0 213.325 0.243 20 0 BCADRP CN(C(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000178601291 536058210 /nfs/dbraw/zinc/05/82/10/536058210.db2.gz LWJBZHWVZQTPOA-RKDXNWHRSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000084382654 536110148 /nfs/dbraw/zinc/11/01/48/536110148.db2.gz CUFKEYINBKZLRY-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H](O)C[C@H]1CO ZINC000352020086 536354191 /nfs/dbraw/zinc/35/41/91/536354191.db2.gz GZLCGEHZIFITKI-AGIUHOORSA-N 2 0 242.363 0.288 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000261533331 536375891 /nfs/dbraw/zinc/37/58/91/536375891.db2.gz GPANPSBEYOBSPM-ZYHUDNBSSA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1(CO)CCOCC1 ZINC000348068004 536389593 /nfs/dbraw/zinc/38/95/93/536389593.db2.gz FLXPNIAEKZZXST-LBPRGKRZSA-N 2 0 242.363 0.602 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000335619753 536394676 /nfs/dbraw/zinc/39/46/76/536394676.db2.gz SJHXIKQXDUKOTC-MNOVXSKESA-N 2 0 242.367 0.330 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000178405627 536410787 /nfs/dbraw/zinc/41/07/87/536410787.db2.gz VDZNVUGQAMDMGO-STQMWFEESA-N 2 0 247.342 0.897 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000335658627 536448036 /nfs/dbraw/zinc/44/80/36/536448036.db2.gz AAPKITKLKQOXCC-GHMZBOCLSA-N 2 0 237.347 0.291 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000262007599 536455596 /nfs/dbraw/zinc/45/55/96/536455596.db2.gz VYACZAVRVGHOIH-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000262744367 536461295 /nfs/dbraw/zinc/46/12/95/536461295.db2.gz JUKUNVNQYATPSX-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP COC[C@@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000171971933 536730940 /nfs/dbraw/zinc/73/09/40/536730940.db2.gz JSTNKBMLVPTPFQ-ZDUSSCGKSA-N 2 0 244.379 0.657 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)N(C)C1CC1 ZINC000217588008 536850767 /nfs/dbraw/zinc/85/07/67/536850767.db2.gz NODBHKITHMWSQE-RYUDHWBXSA-N 2 0 243.395 0.813 20 0 BCADRP COC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000227712257 536854289 /nfs/dbraw/zinc/85/42/89/536854289.db2.gz QVNOYBUESTUPKG-TUAOUCFPSA-N 2 0 230.352 0.720 20 0 BCADRP C[C@@H]1CN(C(=O)NCCC(C)(C)[NH3+])CC[C@H]1[NH3+] ZINC000892851200 582996013 /nfs/dbraw/zinc/99/60/13/582996013.db2.gz QWGYIJLPHAPCKP-NXEZZACHSA-N 2 0 242.367 0.493 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000877178976 583300407 /nfs/dbraw/zinc/30/04/07/583300407.db2.gz GGFAUUXAWBYRAW-CKYFFXLPSA-N 2 0 243.326 0.322 20 0 BCADRP C[C@@]1(NC(=O)CCCCCC[NH3+])CC[NH2+]C1 ZINC000852929000 588713950 /nfs/dbraw/zinc/71/39/50/588713950.db2.gz WDUYZCYCKPSMRV-GFCCVEGCSA-N 2 0 227.352 0.764 20 0 BCADRP C[C@]1(NC(=O)c2cccc(C[NH3+])c2)CC[NH2+]C1 ZINC000852929031 588713960 /nfs/dbraw/zinc/71/39/60/588713960.db2.gz XBOPSXJDNHLAHZ-ZDUSSCGKSA-N 2 0 233.315 0.627 20 0 BCADRP C([N@@H+]1CCC2(C1)CC[NH2+]CC2)[C@]12C[C@H]1C[NH2+]C2 ZINC000853246745 588728529 /nfs/dbraw/zinc/72/85/29/588728529.db2.gz RSNLOVOIQHIESG-GXTWGEPZSA-N 3 0 235.375 0.671 20 0 BCADRP C[C@@H](C[NH3+])NCc1nc2c(s1)C[NH2+]CC2 ZINC000853245712 588728598 /nfs/dbraw/zinc/72/85/98/588728598.db2.gz BVSQSZMIBTVHGI-ZETCQYMHSA-N 2 0 226.349 0.226 20 0 BCADRP FC1(F)CC[NH2+]C[C@@H]1NC[C@]12C[C@H]1C[NH2+]C2 ZINC000853246661 588728689 /nfs/dbraw/zinc/72/86/89/588728689.db2.gz PBZWDWBXOOORAN-LPEHRKFASA-N 2 0 231.290 0.183 20 0 BCADRP COC(=O)N(C)CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000854225879 588780498 /nfs/dbraw/zinc/78/04/98/588780498.db2.gz BBGYQUQPWIOEOD-WDEREUQCSA-N 2 0 243.351 0.662 20 0 BCADRP COC(=O)N(C)CC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000854226549 588780729 /nfs/dbraw/zinc/78/07/29/588780729.db2.gz HICBHKHNJPTOAI-DTWKUNHWSA-N 2 0 217.313 0.400 20 0 BCADRP COC(=O)N(C)CC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000854228318 588780925 /nfs/dbraw/zinc/78/09/25/588780925.db2.gz VANJCNZEEVNBBV-RKDXNWHRSA-N 2 0 215.297 0.154 20 0 BCADRP CC1(C)C(=O)NCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000113211451 588827039 /nfs/dbraw/zinc/82/70/39/588827039.db2.gz LKOIHNQFGQLSNK-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000891403215 582678523 /nfs/dbraw/zinc/67/85/23/582678523.db2.gz KEHSIRDJHFPOOX-AXFHLTTASA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891450367 582689187 /nfs/dbraw/zinc/68/91/87/582689187.db2.gz HEOJJGYXMGFRFZ-DCAQKATOSA-N 2 0 242.367 0.363 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891450368 582689540 /nfs/dbraw/zinc/68/95/40/582689540.db2.gz HEOJJGYXMGFRFZ-GARJFASQSA-N 2 0 242.367 0.363 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC[N@H+](C)C1CC1 ZINC000891545051 582695969 /nfs/dbraw/zinc/69/59/69/582695969.db2.gz HQHNVAOXJCKVPF-UWVGGRQHSA-N 2 0 240.351 0.212 20 0 BCADRP CC[N@@H+](CC(=O)NC)CC1CC[NH+](C)CC1 ZINC000891612040 582701806 /nfs/dbraw/zinc/70/18/06/582701806.db2.gz ITCZUEPWDQUQAG-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCCC[NH3+])CC[C@@H]21 ZINC000891985789 582753681 /nfs/dbraw/zinc/75/36/81/582753681.db2.gz KBVLVSZMSZCTDT-QWRGUYRKSA-N 2 0 240.351 0.071 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891988282 582754424 /nfs/dbraw/zinc/75/44/24/582754424.db2.gz OBYNVYAFSYZGHB-PHIMTYICSA-N 2 0 242.367 0.411 20 0 BCADRP [NH3+]CCCNC(=O)N1CC[NH2+]CCC12CCC2 ZINC000891987735 582754535 /nfs/dbraw/zinc/75/45/35/582754535.db2.gz XSVMDXMOFMAKLM-UHFFFAOYSA-N 2 0 240.351 0.263 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000891998408 582758077 /nfs/dbraw/zinc/75/80/77/582758077.db2.gz FEWKNQJTIGTFIT-MXWKQRLJSA-N 2 0 240.351 0.117 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000892001515 582758749 /nfs/dbraw/zinc/75/87/49/582758749.db2.gz GQECNTOCJBFJBO-LLVKDONJSA-N 2 0 242.367 0.509 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000892002465 582758806 /nfs/dbraw/zinc/75/88/06/582758806.db2.gz PHGKTZCVZNJOCP-GMTAPVOTSA-N 2 0 240.351 0.165 20 0 BCADRP CCN(C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000892015873 582761624 /nfs/dbraw/zinc/76/16/24/582761624.db2.gz CTJWFJWKTVBZJQ-MNOVXSKESA-N 2 0 240.351 0.132 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892020505 582763396 /nfs/dbraw/zinc/76/33/96/582763396.db2.gz XLWLAJDNQZFWKX-AEJSXWLSSA-N 2 0 228.340 0.006 20 0 BCADRP [NH3+]C1CCC(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000892022806 582763398 /nfs/dbraw/zinc/76/33/98/582763398.db2.gz SKBQTYMKCWBDAU-TVUZUIDESA-N 2 0 238.335 0.012 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892040932 582769924 /nfs/dbraw/zinc/76/99/24/582769924.db2.gz PQXOUANJOBQBLH-AXFHLTTASA-N 2 0 242.367 0.540 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)NCC2C[NH2+]C2)C1 ZINC000892047565 582773372 /nfs/dbraw/zinc/77/33/72/582773372.db2.gz YQVBVHCUOQFJFI-LLVKDONJSA-N 2 0 240.351 0.119 20 0 BCADRP CCN(C(=O)N[C@H](C)CC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000892053483 582775253 /nfs/dbraw/zinc/77/52/53/582775253.db2.gz LGLVBUFVNFKNLK-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000892053531 582775455 /nfs/dbraw/zinc/77/54/55/582775455.db2.gz LWLHAKBBIYORGM-JTQLQIEISA-N 2 0 242.367 0.459 20 0 BCADRP CCC1([NH3+])CCN(C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000892052633 582775604 /nfs/dbraw/zinc/77/56/04/582775604.db2.gz DHTJQYOVBSBGBD-SNVBAGLBSA-N 2 0 242.367 0.637 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)NCC1([NH3+])CCC1 ZINC000892053322 582776387 /nfs/dbraw/zinc/77/63/87/582776387.db2.gz JVCOGNMISWQMBF-SECBINFHSA-N 2 0 226.324 0.001 20 0 BCADRP CCN(C(=O)NCC1([NH3+])CCC1)[C@H]1CC[NH2+]C1 ZINC000892054368 582777029 /nfs/dbraw/zinc/77/70/29/582777029.db2.gz USCWQFSOVCWYNT-JTQLQIEISA-N 2 0 240.351 0.261 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892055921 582777882 /nfs/dbraw/zinc/77/78/82/582777882.db2.gz MTRPYKNZGPMIOU-DCAQKATOSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000892061421 582779969 /nfs/dbraw/zinc/77/99/69/582779969.db2.gz HYJAFIFCKVSMHP-VWYCJHECSA-N 2 0 240.351 0.069 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCC(C)(C)[NH3+] ZINC000892079938 582786735 /nfs/dbraw/zinc/78/67/35/582786735.db2.gz PBQAHYOCWPQDNK-UWVGGRQHSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892078049 582787117 /nfs/dbraw/zinc/78/71/17/582787117.db2.gz MXIITSVYEQVZPG-GWOFURMSSA-N 2 0 240.351 0.021 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892091228 582788801 /nfs/dbraw/zinc/78/88/01/582788801.db2.gz DHOGGEMRKGTRCC-DBIOUOCHSA-N 2 0 240.351 0.021 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892091232 582789006 /nfs/dbraw/zinc/78/90/06/582789006.db2.gz DHOGGEMRKGTRCC-MMWGEVLESA-N 2 0 240.351 0.021 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000892090485 582789055 /nfs/dbraw/zinc/78/90/55/582789055.db2.gz ADSKXKYZNYLNIE-VIFPVBQESA-N 2 0 228.340 0.069 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[NH2+]1 ZINC000892098118 582790327 /nfs/dbraw/zinc/79/03/27/582790327.db2.gz XRRPLEDLQJCDLE-DBIOUOCHSA-N 2 0 240.351 0.163 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000892102773 582791382 /nfs/dbraw/zinc/79/13/82/582791382.db2.gz KISIQIIXXOKKMR-JTQLQIEISA-N 2 0 242.367 0.637 20 0 BCADRP [NH3+]C/C=C/CNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892123020 582795979 /nfs/dbraw/zinc/79/59/79/582795979.db2.gz WSFWGUBJSFJXSZ-QNDCKANFSA-N 2 0 238.335 0.085 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1CCCC[C@@H]1C[NH2+]C ZINC000892142704 582799837 /nfs/dbraw/zinc/79/98/37/582799837.db2.gz BFGJOIHKWATUSE-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000892146731 582801231 /nfs/dbraw/zinc/80/12/31/582801231.db2.gz QAMLGOBTEKGVDT-QEYWKRMJSA-N 2 0 228.340 0.291 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000892147834 582801489 /nfs/dbraw/zinc/80/14/89/582801489.db2.gz WZFXSJCQAAOHFF-ZJUUUORDSA-N 2 0 242.367 0.458 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NC1(C[NH3+])CCCCC1 ZINC000892146498 582801553 /nfs/dbraw/zinc/80/15/53/582801553.db2.gz LLMKHCWFUGKRSV-SNVBAGLBSA-N 2 0 242.367 0.685 20 0 BCADRP CNC(=O)[C@H](C)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000892207138 582807598 /nfs/dbraw/zinc/80/75/98/582807598.db2.gz FKWOGAXIVSUONJ-LLVKDONJSA-N 2 0 241.379 0.642 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NCC1([NH3+])CCCC1 ZINC000892250483 582813447 /nfs/dbraw/zinc/81/34/47/582813447.db2.gz JNIIBCXNISQGMS-UHFFFAOYSA-N 2 0 242.367 0.685 20 0 BCADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000111825006 582818120 /nfs/dbraw/zinc/81/81/20/582818120.db2.gz GEOWRFMOJJLOQG-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892281121 582826315 /nfs/dbraw/zinc/82/63/15/582826315.db2.gz OLNYXANEIPGIES-XWLWVQCSSA-N 2 0 240.351 0.163 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000892293289 582829096 /nfs/dbraw/zinc/82/90/96/582829096.db2.gz SRHDJXWQNXCMAN-DBIOUOCHSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000118984969 582830692 /nfs/dbraw/zinc/83/06/92/582830692.db2.gz FLXLTDDTYSLTOH-NHCYSSNCSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H](CNC(=[NH2+])N1CCOCC1)C[NH+](C)C ZINC000849030663 582833431 /nfs/dbraw/zinc/83/34/31/582833431.db2.gz RJDNONYNMCYITJ-SNVBAGLBSA-N 2 0 228.340 0.041 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892430754 582885627 /nfs/dbraw/zinc/88/56/27/582885627.db2.gz OHKYTDAQGAJHOX-GMTAPVOTSA-N 2 0 242.367 0.493 20 0 BCADRP C[NH2+]CCN(C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892455682 582891245 /nfs/dbraw/zinc/89/12/45/582891245.db2.gz KSTHKBFTCMBKNC-UHFFFAOYSA-N 2 0 240.351 0.213 20 0 BCADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)COCCOC)C1 ZINC000892612924 582929489 /nfs/dbraw/zinc/92/94/89/582929489.db2.gz GJWCHJKJCYGLPW-STQMWFEESA-N 2 0 244.379 0.969 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000892847292 582995164 /nfs/dbraw/zinc/99/51/64/582995164.db2.gz PFDXFIATKPCADV-JTQLQIEISA-N 2 0 242.367 0.637 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCC(C)(C)[NH3+] ZINC000892852072 582996996 /nfs/dbraw/zinc/99/69/96/582996996.db2.gz ZXZOPGJKGWMGOF-VHSXEESVSA-N 2 0 242.367 0.506 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N1CCC[NH2+]CC1 ZINC000892851607 582997110 /nfs/dbraw/zinc/99/71/10/582997110.db2.gz VDGHVCVYMPWAPC-UHFFFAOYSA-N 2 0 228.340 0.119 20 0 BCADRP COC[C@@](C)(CCO)[NH2+]CC1CC[NH+](C)CC1 ZINC000893102423 583049596 /nfs/dbraw/zinc/04/95/96/583049596.db2.gz UZMWKQPSMXCXQS-CYBMUJFWSA-N 2 0 244.379 0.705 20 0 BCADRP CNC(=[NH2+])NCCCCC[NH+]1CCCC1 ZINC000146934133 583055705 /nfs/dbraw/zinc/05/57/05/583055705.db2.gz CQHUNQPBBWEDOJ-UHFFFAOYSA-N 2 0 212.341 0.996 20 0 BCADRP C[C@H](CCCCO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000398358499 583128338 /nfs/dbraw/zinc/12/83/38/583128338.db2.gz CLILZYSLBDOBNV-OLZOCXBDSA-N 2 0 244.379 0.584 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000857113150 583133791 /nfs/dbraw/zinc/13/37/91/583133791.db2.gz OCPSDPLYUIJEMS-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000857104318 588887428 /nfs/dbraw/zinc/88/74/28/588887428.db2.gz SAKLCPILZGIKOE-LPEHRKFASA-N 2 0 228.340 0.293 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000857107128 588888072 /nfs/dbraw/zinc/88/80/72/588888072.db2.gz LRUYFCMXLBYXKG-OUAUKWLOSA-N 2 0 242.367 0.350 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000857106267 588888080 /nfs/dbraw/zinc/88/80/80/588888080.db2.gz GYZMQGJLZGGYLD-IVZWLZJFSA-N 2 0 228.340 0.150 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000857107287 588888238 /nfs/dbraw/zinc/88/82/38/588888238.db2.gz QQOVATAZZPCMPB-LPEHRKFASA-N 2 0 228.340 0.102 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCC[C@H](C)[NH3+])C1 ZINC000857107346 588888413 /nfs/dbraw/zinc/88/84/13/588888413.db2.gz RYKWTMCKMSNDRW-QWRGUYRKSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000857110940 588889380 /nfs/dbraw/zinc/88/93/80/588889380.db2.gz XJQCEQOXPCDHDA-QWRGUYRKSA-N 2 0 242.367 0.317 20 0 BCADRP CC[NH+](CC)CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877188161 583303571 /nfs/dbraw/zinc/30/35/71/583303571.db2.gz RGLRIUPUOAGVTP-UHFFFAOYSA-N 2 0 239.363 0.811 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000877250401 583304897 /nfs/dbraw/zinc/30/48/97/583304897.db2.gz PNHQDZOKQAUEJF-YFKTTZPYSA-N 2 0 237.347 0.276 20 0 BCADRP COC(=O)N1CCC([NH2+]CC[C@H](C)[NH3+])CC1 ZINC000857253632 588901339 /nfs/dbraw/zinc/90/13/39/588901339.db2.gz PVBBSQSLSOKQOR-VIFPVBQESA-N 2 0 229.324 0.544 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C2CC2)[C@@H](C)C[NH2+]1 ZINC000841849383 583367395 /nfs/dbraw/zinc/36/73/95/583367395.db2.gz PWYQUEFCEBSHDQ-WCABBAIRSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000894253492 583393592 /nfs/dbraw/zinc/39/35/92/583393592.db2.gz KEUAHBPCGJZYEH-ZYHUDNBSSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000841857257 583438393 /nfs/dbraw/zinc/43/83/93/583438393.db2.gz SONJYSRJRNCDAG-FOGDFJRCSA-N 2 0 243.326 0.131 20 0 BCADRP Cc1ncoc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000894582394 583488630 /nfs/dbraw/zinc/48/86/30/583488630.db2.gz ZHTFCMQJLCZDRW-PHIMTYICSA-N 2 0 221.304 0.976 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCC[NH2+]CC2)C1 ZINC000334953274 583597071 /nfs/dbraw/zinc/59/70/71/583597071.db2.gz SZAIUFXFYRAQCD-MNOVXSKESA-N 2 0 240.351 0.261 20 0 BCADRP CN(C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C1CC([NH3+])C1 ZINC000334954705 583597422 /nfs/dbraw/zinc/59/74/22/583597422.db2.gz DLMFKDGGVTTZIH-VKAADOFISA-N 2 0 240.351 0.387 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895291623 583637256 /nfs/dbraw/zinc/63/72/56/583637256.db2.gz HDMOQVMVOKXEHP-GHMZBOCLSA-N 2 0 225.340 0.596 20 0 BCADRP C[C@H](CC[NH2+][C@@H]1CCNC(=O)CC1)[NH+](C)C ZINC000895294606 583638022 /nfs/dbraw/zinc/63/80/22/583638022.db2.gz XICNRTAJMDHIAV-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]1[C@H](Nc2cc[nH+]cc2CO)CC[N@@H+]1C ZINC000895736256 583718550 /nfs/dbraw/zinc/71/85/50/583718550.db2.gz IRYMHTMHNILNMR-MWLCHTKSSA-N 2 0 221.304 0.500 20 0 BCADRP C[N@@H+]1CC[C@@H]1CNc1cc[nH+]c(CO)c1 ZINC000895766906 583719051 /nfs/dbraw/zinc/71/90/51/583719051.db2.gz GXKWHUZUXKCWDS-LLVKDONJSA-N 2 0 207.277 0.690 20 0 BCADRP CO[C@@H]1CN(CC2CC[NH+](C)CC2)CCO1 ZINC000895964514 583753608 /nfs/dbraw/zinc/75/36/08/583753608.db2.gz XKRIUALMUFDLIU-LBPRGKRZSA-N 2 0 228.336 0.633 20 0 BCADRP C[C@@H]1[C@@H]([NH2+][C@H]2CCNC(=O)CC2)CCN1C ZINC000896555166 583811775 /nfs/dbraw/zinc/81/17/75/583811775.db2.gz NPMLHYCHJAQQBG-MXWKQRLJSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870941729 583932167 /nfs/dbraw/zinc/93/21/67/583932167.db2.gz YZRCVAJRFXTUFK-FIQHERPVSA-N 2 0 239.363 0.618 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965720 583932459 /nfs/dbraw/zinc/93/24/59/583932459.db2.gz NHWKMQDSTVZLJS-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000897826442 584051843 /nfs/dbraw/zinc/05/18/43/584051843.db2.gz XPIXCAWIOGATKP-WOPDTQHZSA-N 2 0 237.347 0.243 20 0 BCADRP [NH3+]CCc1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899740401 584233509 /nfs/dbraw/zinc/23/35/09/584233509.db2.gz GXMDVHRUVAKFAY-SNVBAGLBSA-N 2 0 223.324 0.169 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC12CC[NH+](C)CC2 ZINC000899911390 584253180 /nfs/dbraw/zinc/25/31/80/584253180.db2.gz UCAUPINDNQHLCE-LLVKDONJSA-N 2 0 228.336 0.164 20 0 BCADRP O=C(Cc1c[nH]cn1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000900371974 584298063 /nfs/dbraw/zinc/29/80/63/584298063.db2.gz MDQWDXYVFVBHNM-SECBINFHSA-N 2 0 234.303 0.305 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2C)CC[N@@H+]1C ZINC000900667847 584337966 /nfs/dbraw/zinc/33/79/66/584337966.db2.gz UWCRBRQFHVFORL-GMTAPVOTSA-N 2 0 225.336 0.147 20 0 BCADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000900831624 584355257 /nfs/dbraw/zinc/35/52/57/584355257.db2.gz KCEDLNMJVPFPHL-WOPDTQHZSA-N 2 0 241.379 0.926 20 0 BCADRP CNC(=O)CCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902359605 584571312 /nfs/dbraw/zinc/57/13/12/584571312.db2.gz DZBHEIPWPNPHSC-LLVKDONJSA-N 2 0 241.379 0.880 20 0 BCADRP CNC(=O)CCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902359606 584571448 /nfs/dbraw/zinc/57/14/48/584571448.db2.gz DZBHEIPWPNPHSC-NSHDSACASA-N 2 0 241.379 0.880 20 0 BCADRP [NH3+]C1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000902407823 584574643 /nfs/dbraw/zinc/57/46/43/584574643.db2.gz VMSQUTPSMOZBRS-QJPTWQEYSA-N 2 0 223.364 0.988 20 0 BCADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCC1([NH3+])CC1 ZINC000902407827 584575122 /nfs/dbraw/zinc/57/51/22/584575122.db2.gz VMUYPWTWQCYOCS-VIFPVBQESA-N 2 0 234.347 0.991 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H](NCC2([NH3+])CC2)C1 ZINC000902410192 584575632 /nfs/dbraw/zinc/57/56/32/584575632.db2.gz PXPULTFDPXYSLB-NXEZZACHSA-N 2 0 211.353 0.973 20 0 BCADRP COCC[C@H](CO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902383267 584577014 /nfs/dbraw/zinc/57/70/14/584577014.db2.gz KKLZPFGMDVSKPY-NWDGAFQWSA-N 2 0 244.379 0.752 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2COC[C@H]2O)C1 ZINC000902385769 584578037 /nfs/dbraw/zinc/57/80/37/584578037.db2.gz AOQSFMGNJKXLFX-GMTAPVOTSA-N 2 0 228.336 0.114 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CNC(=O)C2)C1 ZINC000902390895 584582293 /nfs/dbraw/zinc/58/22/93/584582293.db2.gz QSRKYBGFORYKFP-MNOVXSKESA-N 2 0 239.363 0.490 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2C[NH2+]CCO2)C1 ZINC000902394293 584583445 /nfs/dbraw/zinc/58/34/45/584583445.db2.gz UPPZYNJZCZDJJC-NEPJUHHUSA-N 2 0 241.379 0.343 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2COCCN2)C1 ZINC000902397022 584585155 /nfs/dbraw/zinc/58/51/55/584585155.db2.gz LUVTUYHBMIRFBM-NWDGAFQWSA-N 2 0 241.379 0.343 20 0 BCADRP C[C@H](NCC1([NH3+])CC1)c1c[nH+]ccc1N ZINC000902403750 584588259 /nfs/dbraw/zinc/58/82/59/584588259.db2.gz AWSCMAAPMUKLAQ-QMMMGPOBSA-N 2 0 206.293 0.636 20 0 BCADRP NOCCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000902415454 584589637 /nfs/dbraw/zinc/58/96/37/584589637.db2.gz OCYNCWPFMCUJQB-ZJUUUORDSA-N 2 0 201.314 0.516 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]CCCON)[C@@H]2CCC[C@H]21 ZINC000902416637 584590430 /nfs/dbraw/zinc/59/04/30/584590430.db2.gz VHXOMWCDVUICFB-SDDRHHMPSA-N 2 0 227.352 0.729 20 0 BCADRP CC[NH+]1CCC([NH2+]CCCON)CC1 ZINC000902417660 584591291 /nfs/dbraw/zinc/59/12/91/584591291.db2.gz CCQLPIDJYOSDKE-UHFFFAOYSA-N 2 0 201.314 0.341 20 0 BCADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCON ZINC000902417135 584591365 /nfs/dbraw/zinc/59/13/65/584591365.db2.gz XENOQVPLIGSHBD-SECBINFHSA-N 2 0 238.335 0.780 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902446127 584592446 /nfs/dbraw/zinc/59/24/46/584592446.db2.gz SAFILNXOPGDNNW-WOPDTQHZSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902446121 584592545 /nfs/dbraw/zinc/59/25/45/584592545.db2.gz SAFILNXOPGDNNW-GRYCIOLGSA-N 2 0 225.380 0.962 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000902446140 584593225 /nfs/dbraw/zinc/59/32/25/584593225.db2.gz SCUOLDOUJNRDOX-GHMZBOCLSA-N 2 0 223.364 0.859 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000902446149 584593409 /nfs/dbraw/zinc/59/34/09/584593409.db2.gz SCUOLDOUJNRDOX-WDEREUQCSA-N 2 0 223.364 0.859 20 0 BCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000902431567 584595241 /nfs/dbraw/zinc/59/52/41/584595241.db2.gz FYSJFDHHAQROHP-MRVWCRGKSA-N 2 0 247.342 0.189 20 0 BCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@H]1C[NH2+]CCOC1 ZINC000902431564 584595566 /nfs/dbraw/zinc/59/55/66/584595566.db2.gz FYSJFDHHAQROHP-IACUBPJLSA-N 2 0 247.342 0.189 20 0 BCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@H]1CC[NH2+]C1 ZINC000902435536 584596454 /nfs/dbraw/zinc/59/64/54/584596454.db2.gz UUTLZLVSYSHWHL-CYZMBNFOSA-N 2 0 217.316 0.563 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000902441905 584597672 /nfs/dbraw/zinc/59/76/72/584597672.db2.gz FWHDTNPKOXLUET-LIBFEPKXSA-N 2 0 235.375 0.570 20 0 BCADRP [NH3+]C1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000902413507 584599854 /nfs/dbraw/zinc/59/98/54/584599854.db2.gz NFCCIPYWJKQMJF-GHMZBOCLSA-N 2 0 209.337 0.694 20 0 BCADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902415032 584601452 /nfs/dbraw/zinc/60/14/52/584601452.db2.gz JTLGDCKYCKOZET-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474653 584601881 /nfs/dbraw/zinc/60/18/81/584601881.db2.gz HGLIZGVUWGEIHH-IGJDLRFWSA-N 2 0 235.375 0.952 20 0 BCADRP C[C@H](N[C@@H]1C[NH2+]CC1(C)C)[C@H]1CCC[NH2+]1 ZINC000902447526 584605117 /nfs/dbraw/zinc/60/51/17/584605117.db2.gz YWOCETAANTVBSA-HBNTYKKESA-N 2 0 211.353 0.715 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902459094 584610648 /nfs/dbraw/zinc/61/06/48/584610648.db2.gz BCSLMKRCKRICPO-IYKVGLELSA-N 2 0 209.337 0.609 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461732 584611206 /nfs/dbraw/zinc/61/12/06/584611206.db2.gz QJSIYTCAYOTOKK-NZEXEKPDSA-N 2 0 223.364 0.857 20 0 BCADRP CC[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000902461094 584611225 /nfs/dbraw/zinc/61/12/25/584611225.db2.gz LVIUPHCZGAVHED-JZRPKSSGSA-N 2 0 223.364 1.000 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461731 584611731 /nfs/dbraw/zinc/61/17/31/584611731.db2.gz QJSIYTCAYOTOKK-KSSYENDESA-N 2 0 223.364 0.857 20 0 BCADRP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461038 584611790 /nfs/dbraw/zinc/61/17/90/584611790.db2.gz KRVAHMLNPMXFBN-NZEXEKPDSA-N 2 0 239.363 0.236 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cn(C)cn1 ZINC000902463060 584612417 /nfs/dbraw/zinc/61/24/17/584612417.db2.gz ZEPHNVLWTQNMII-JTQLQIEISA-N 2 0 226.324 0.264 20 0 BCADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902467635 584614695 /nfs/dbraw/zinc/61/46/95/584614695.db2.gz PXPGWJXIJJXXQR-LDMBFOFVSA-N 2 0 210.321 0.894 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470822 584616246 /nfs/dbraw/zinc/61/62/46/584616246.db2.gz HGLIZGVUWGEIHH-SAUGFPQOSA-N 2 0 235.375 0.952 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CN1C1CC1 ZINC000902490016 584617123 /nfs/dbraw/zinc/61/71/23/584617123.db2.gz QWQYADWYDALIPX-DDHJBXDOSA-N 2 0 223.364 0.939 20 0 BCADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902491353 584617927 /nfs/dbraw/zinc/61/79/27/584617927.db2.gz VTIJMDWJJGRTFW-UZWSLXQKSA-N 2 0 223.364 0.796 20 0 BCADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902490554 584618504 /nfs/dbraw/zinc/61/85/04/584618504.db2.gz WOZUJLASZFHZPA-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CC[C@H](O)C1CC1 ZINC000902505889 584621481 /nfs/dbraw/zinc/62/14/81/584621481.db2.gz WHPNALGOVNWXTO-NEPJUHHUSA-N 2 0 230.352 0.491 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000902503866 584621612 /nfs/dbraw/zinc/62/16/12/584621612.db2.gz LNELKRDVMABIFV-SDDRHHMPSA-N 2 0 212.337 0.864 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@H](O)C1CC1 ZINC000902506619 584621885 /nfs/dbraw/zinc/62/18/85/584621885.db2.gz YSJXQLLDNDSLOY-NGZCFLSTSA-N 2 0 200.326 0.863 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc2n1CCOC2 ZINC000902513173 584623511 /nfs/dbraw/zinc/62/35/11/584623511.db2.gz LOFUKFFYNWZJST-ZJUUUORDSA-N 2 0 238.335 0.629 20 0 BCADRP COC[C@@H](CCC[NH3+])NC[C@@H]1CCCCC[NH2+]1 ZINC000902481604 584623967 /nfs/dbraw/zinc/62/39/67/584623967.db2.gz FNIAIDMPHYVKDF-QWHCGFSZSA-N 2 0 243.395 0.862 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000902515177 584629476 /nfs/dbraw/zinc/62/94/76/584629476.db2.gz SYTZTTPEDPDUTP-WUHRBBMRSA-N 2 0 242.363 0.504 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000902517446 584629885 /nfs/dbraw/zinc/62/98/85/584629885.db2.gz HROOMRWOVUWVPK-WHOHXGKFSA-N 2 0 210.321 0.881 20 0 BCADRP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)C1C[NH2+]C1 ZINC000902516297 584630147 /nfs/dbraw/zinc/63/01/47/584630147.db2.gz CUEHKIXHJVCFSG-OWYVNGRQSA-N 2 0 232.327 0.842 20 0 BCADRP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)C1C[NH2+]C1 ZINC000902516296 584630193 /nfs/dbraw/zinc/63/01/93/584630193.db2.gz CUEHKIXHJVCFSG-CUOATXAZSA-N 2 0 232.327 0.842 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000902520400 584631473 /nfs/dbraw/zinc/63/14/73/584631473.db2.gz OMENVQZPLQOSOU-XQQFMLRXSA-N 2 0 242.363 0.755 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000902520398 584631774 /nfs/dbraw/zinc/63/17/74/584631774.db2.gz OMENVQZPLQOSOU-RWMBFGLXSA-N 2 0 242.363 0.755 20 0 BCADRP C[NH+](C)CCC[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903056184 584722457 /nfs/dbraw/zinc/72/24/57/584722457.db2.gz RHGJMRVBJFFIMX-NEPJUHHUSA-N 2 0 228.336 0.476 20 0 BCADRP CC(C)[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903435469 584762069 /nfs/dbraw/zinc/76/20/69/584762069.db2.gz VGEOYRWXEKEECS-WOPDTQHZSA-N 2 0 239.363 0.570 20 0 BCADRP COC[C@](C)(CCO)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903440843 584763318 /nfs/dbraw/zinc/76/33/18/584763318.db2.gz FDRPQONIBYFOBG-WOPDTQHZSA-N 2 0 230.352 0.219 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCSC[C@H]1CCO ZINC000903441392 584763815 /nfs/dbraw/zinc/76/38/15/584763815.db2.gz QDLMLVJZSFFKRJ-GRYCIOLGSA-N 2 0 244.404 0.642 20 0 BCADRP COC[C@](C)(CCO)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903441267 584763870 /nfs/dbraw/zinc/76/38/70/584763870.db2.gz KGLPNHKSSOOBDK-WOPDTQHZSA-N 2 0 230.352 0.491 20 0 BCADRP C[NH2+]C1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903423078 584764247 /nfs/dbraw/zinc/76/42/47/584764247.db2.gz PENMUTZMKRVSFW-MNOVXSKESA-N 2 0 211.353 0.526 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000903422901 584764434 /nfs/dbraw/zinc/76/44/34/584764434.db2.gz MGWJZFPBFWQTHP-KKOKHZNYSA-N 2 0 211.353 0.524 20 0 BCADRP C[C@@H]1CCN(C[C@H]2CCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000903458718 584764966 /nfs/dbraw/zinc/76/49/66/584764966.db2.gz ICGLAXKZSHXOTN-GRYCIOLGSA-N 2 0 211.353 0.655 20 0 BCADRP CN(C[C@H]1CCC[NH2+]1)[C@H](C[NH3+])C(F)(F)F ZINC000903464446 584765035 /nfs/dbraw/zinc/76/50/35/584765035.db2.gz NVQGXHKQQXLEBJ-HTQZYQBOSA-N 2 0 225.258 0.560 20 0 BCADRP C[C@@H]1CCCN(C[C@H]2CCC[NH2+]2)[C@H]1C[NH3+] ZINC000903424855 584765280 /nfs/dbraw/zinc/76/52/80/584765280.db2.gz JDCXKOBCKMTZKX-UTUOFQBUSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1(CO)CCCC1 ZINC000903460432 584766352 /nfs/dbraw/zinc/76/63/52/584766352.db2.gz CGINMSSYKXRTRL-MNOVXSKESA-N 2 0 212.337 0.737 20 0 BCADRP [NH3+]CCC1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903461061 584766393 /nfs/dbraw/zinc/76/63/93/584766393.db2.gz OEPFGMFNPCYCJN-GFCCVEGCSA-N 2 0 211.353 0.799 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000903460424 584766579 /nfs/dbraw/zinc/76/65/79/584766579.db2.gz BOXCLUVGMDDHJT-RFGFWPKPSA-N 3 0 237.391 0.903 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000903464914 584767218 /nfs/dbraw/zinc/76/72/18/584767218.db2.gz ZOENCKIJKKNECR-UMSGYPCISA-N 3 0 223.364 0.927 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000903464134 584767226 /nfs/dbraw/zinc/76/72/26/584767226.db2.gz AWLSJNFTNBENKY-XQHKEYJVSA-N 3 0 223.364 0.655 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000903464916 584767352 /nfs/dbraw/zinc/76/73/52/584767352.db2.gz ZOENCKIJKKNECR-WUHRBBMRSA-N 3 0 223.364 0.927 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903447195 584770643 /nfs/dbraw/zinc/77/06/43/584770643.db2.gz IUEUWYUUONLGPE-FRRDWIJNSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903447595 584770813 /nfs/dbraw/zinc/77/08/13/584770813.db2.gz YWPWNWWFZAZTGY-KKOKHZNYSA-N 3 0 211.353 0.783 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C)([NH3+])CC1 ZINC000903449395 584771166 /nfs/dbraw/zinc/77/11/66/584771166.db2.gz AAFFGTTUFCUTJC-MNOVXSKESA-N 2 0 211.353 0.655 20 0 BCADRP FC(F)[C@@H]1C[NH2+]CCN1C[C@H]1CCC[NH2+]1 ZINC000903451851 584771833 /nfs/dbraw/zinc/77/18/33/584771833.db2.gz FDPJBFUWATXUPC-BDAKNGLRSA-N 2 0 219.279 0.277 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000903453672 584772621 /nfs/dbraw/zinc/77/26/21/584772621.db2.gz HSYGNYNBWOVFSE-CHWSQXEVSA-N 2 0 223.364 0.814 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000903452885 584772623 /nfs/dbraw/zinc/77/26/23/584772623.db2.gz UNFVTICKIUKIGS-OLZOCXBDSA-N 2 0 223.364 0.814 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC[C@H]1CCC[NH2+]1 ZINC000903455163 584773795 /nfs/dbraw/zinc/77/37/95/584773795.db2.gz SAFGUSVPPPVBRB-GHMZBOCLSA-N 2 0 211.353 0.716 20 0 BCADRP CCC[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457243 584773837 /nfs/dbraw/zinc/77/38/37/584773837.db2.gz OTTZWHWEQMBBFS-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CCN1CCOCC1 ZINC000903455502 584773939 /nfs/dbraw/zinc/77/39/39/584773939.db2.gz XAPHBWQNUVFYNH-OLZOCXBDSA-N 2 0 241.379 0.106 20 0 BCADRP CNC(=O)CCC[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903456714 584774142 /nfs/dbraw/zinc/77/41/42/584774142.db2.gz JTXWMIPALBXNCU-MNOVXSKESA-N 2 0 227.352 0.300 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000903472951 584775994 /nfs/dbraw/zinc/77/59/94/584775994.db2.gz XRWLLRGULDMLCR-QJPTWQEYSA-N 3 0 223.364 0.988 20 0 BCADRP CC1(C)CC[NH2+]CCN1C[C@H]1CCC[NH2+]1 ZINC000903475907 584776679 /nfs/dbraw/zinc/77/66/79/584776679.db2.gz HHMRAJSQTCLINT-LLVKDONJSA-N 2 0 211.353 0.812 20 0 BCADRP C[C@H](c1ncccn1)N(C)CCOCC[NH3+] ZINC000903474750 584776707 /nfs/dbraw/zinc/77/67/07/584776707.db2.gz SESPVOWPOHRLNN-SNVBAGLBSA-N 2 0 224.308 0.445 20 0 BCADRP [NH3+][C@@H]1CC[C@H](CN2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000903475914 584777018 /nfs/dbraw/zinc/77/70/18/584777018.db2.gz HSOYLOYNGQCCNG-RNJOBUHISA-N 2 0 223.364 0.940 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000903476481 584777404 /nfs/dbraw/zinc/77/74/04/584777404.db2.gz YLWFAIFXGYAVCS-UPJWGTAASA-N 2 0 223.364 0.812 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000903476118 584777461 /nfs/dbraw/zinc/77/74/61/584777461.db2.gz NZXLLCIFILMEQR-RFGFWPKPSA-N 2 0 237.391 0.868 20 0 BCADRP CO[C@H]1COCC[C@@H]1[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903481808 584777986 /nfs/dbraw/zinc/77/79/86/584777986.db2.gz NKMGCWZDCUAFJH-VOAKCMCISA-N 2 0 242.363 0.578 20 0 BCADRP CO[C@H]1COCC[C@@H]1[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903481496 584778312 /nfs/dbraw/zinc/77/83/12/584778312.db2.gz DQMRJQVQIWUCKE-VOAKCMCISA-N 2 0 242.363 0.850 20 0 BCADRP CCN(C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000903482186 584778482 /nfs/dbraw/zinc/77/84/82/584778482.db2.gz YXNBHBNVAPZNPN-WOPDTQHZSA-N 2 0 211.353 0.798 20 0 BCADRP [NH3+]CCN(C[C@@H]1CC[C@H]([NH3+])C1)CC(F)(F)F ZINC000903482833 584778784 /nfs/dbraw/zinc/77/87/84/584778784.db2.gz VIPNIVJXFYCOGW-BDAKNGLRSA-N 2 0 239.285 0.937 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CC[NH3+] ZINC000903498559 584779741 /nfs/dbraw/zinc/77/97/41/584779741.db2.gz KPFCLFKUUNWSMU-UTUOFQBUSA-N 2 0 249.362 0.682 20 0 BCADRP CON1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)C1=O ZINC000903499748 584779911 /nfs/dbraw/zinc/77/99/11/584779911.db2.gz ZKTQZNYGZGMXGA-MXWKQRLJSA-N 2 0 241.335 0.065 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498995 584780210 /nfs/dbraw/zinc/78/02/10/584780210.db2.gz QMSNKFSOLLVWQK-LPWJVIDDSA-N 3 0 225.380 0.759 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903499200 584780344 /nfs/dbraw/zinc/78/03/44/584780344.db2.gz JNDQMTYZIOJZNN-JHJVBQTASA-N 3 0 225.380 0.903 20 0 BCADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCCF)C2 ZINC000903493480 584780949 /nfs/dbraw/zinc/78/09/49/584780949.db2.gz SVCBJDXKIIFUBS-UMNHJUIQSA-N 2 0 244.310 0.558 20 0 BCADRP C[NH2+]CCCN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903540889 584781658 /nfs/dbraw/zinc/78/16/58/584781658.db2.gz PRIHKYMEXZHLFW-RKDXNWHRSA-N 2 0 239.285 0.807 20 0 BCADRP C[NH2+]C[C@@H]1CCCCN1C[C@H]1CCc2ncnn21 ZINC000903527404 584781860 /nfs/dbraw/zinc/78/18/60/584781860.db2.gz YIPYQFRIKBJODO-NWDGAFQWSA-N 2 0 249.362 0.839 20 0 BCADRP C[C@@]1(C2CC[NH+](CCC[NH3+])CC2)COC(=O)N1 ZINC000903563760 584781976 /nfs/dbraw/zinc/78/19/76/584781976.db2.gz LCUHOQSZAJCHEE-LBPRGKRZSA-N 2 0 241.335 0.546 20 0 BCADRP CC1(C)CN(C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1[NH3+] ZINC000903557320 584782910 /nfs/dbraw/zinc/78/29/10/584782910.db2.gz NORLXDQPGZVJNM-QWRGUYRKSA-N 3 0 239.363 0.177 20 0 BCADRP CN1CCC[C@@H](N2C[C@@H]([NH3+])C(C)(C)C2)C1=O ZINC000903557831 584783040 /nfs/dbraw/zinc/78/30/40/584783040.db2.gz RYNJQPIQIJIPBX-NXEZZACHSA-N 2 0 225.336 0.276 20 0 BCADRP CCOC(=O)CCN1C[C@H]([NH3+])C(C)(C)C1 ZINC000903557476 584783056 /nfs/dbraw/zinc/78/30/56/584783056.db2.gz OHSDBBALVABBEC-VIFPVBQESA-N 2 0 214.309 0.609 20 0 BCADRP C[C@@H]1CN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC[NH2+]1 ZINC000903716393 584791671 /nfs/dbraw/zinc/79/16/71/584791671.db2.gz LWYMPBCYEKCPEQ-JHJVBQTASA-N 2 0 239.363 0.049 20 0 BCADRP C[C@H](C[NH3+])N(C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717040 584792215 /nfs/dbraw/zinc/79/22/15/584792215.db2.gz XSFJRORIOWECCT-IJLUTSLNSA-N 2 0 227.352 0.034 20 0 BCADRP CO[C@@H]1CC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903731798 584792866 /nfs/dbraw/zinc/79/28/66/584792866.db2.gz CRXQWCKDSUGDSR-JHJVBQTASA-N 2 0 240.347 0.476 20 0 BCADRP COC[C@@](C)(CCO)[NH2+]C[C@H]1CCCC[NH2+]C1 ZINC000903732803 584793030 /nfs/dbraw/zinc/79/30/30/584793030.db2.gz HZNKKCFEJAIXHX-QWHCGFSZSA-N 2 0 244.379 0.753 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000903713538 584793345 /nfs/dbraw/zinc/79/33/45/584793345.db2.gz USSHKDORCMPBLU-GRYCIOLGSA-N 2 0 240.347 0.856 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903713639 584793369 /nfs/dbraw/zinc/79/33/69/584793369.db2.gz YLZXNIAFYFZMCF-FRRDWIJNSA-N 2 0 239.363 0.049 20 0 BCADRP [NH3+][C@@H]1CCCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903713234 584793531 /nfs/dbraw/zinc/79/35/31/584793531.db2.gz JDJRVSMBLBLIFC-FRRDWIJNSA-N 2 0 239.363 0.178 20 0 BCADRP [NH3+][C@@H]1CCCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903713236 584793784 /nfs/dbraw/zinc/79/37/84/584793784.db2.gz JDJRVSMBLBLIFC-UPJWGTAASA-N 2 0 239.363 0.178 20 0 BCADRP C[NH2+][C@@H]1CCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903713506 584793871 /nfs/dbraw/zinc/79/38/71/584793871.db2.gz UEIJHEYHHDJBEM-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP CN(C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1CC[NH2+]C1 ZINC000903715890 584794006 /nfs/dbraw/zinc/79/40/06/584794006.db2.gz BFFZDPONFUJSGD-RWMBFGLXSA-N 2 0 239.363 0.049 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000903716220 584794067 /nfs/dbraw/zinc/79/40/67/584794067.db2.gz JSHICFGPGSUYLA-SDDRHHMPSA-N 2 0 240.347 0.727 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000903745893 584794192 /nfs/dbraw/zinc/79/41/92/584794192.db2.gz BMEDEAPOWAUYDV-DMDPSCGWSA-N 2 0 240.347 0.856 20 0 BCADRP C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC([NH3+])C1 ZINC000903748872 584794704 /nfs/dbraw/zinc/79/47/04/584794704.db2.gz CAYHNVLYJWCVJU-TYUFSLCMSA-N 3 0 239.363 0.177 20 0 BCADRP C[C@H]1CN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC[NH2+]1 ZINC000903751699 584795408 /nfs/dbraw/zinc/79/54/08/584795408.db2.gz LWYMPBCYEKCPEQ-XQQFMLRXSA-N 2 0 239.363 0.049 20 0 BCADRP OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903753046 584796018 /nfs/dbraw/zinc/79/60/18/584796018.db2.gz ZABCUYBIUKSADP-NEPJUHHUSA-N 2 0 212.337 0.833 20 0 BCADRP [NH3+]CC12CC(C1)CN2C[C@@H]1CCCC[NH2+]C1 ZINC000903765904 584797084 /nfs/dbraw/zinc/79/70/84/584797084.db2.gz MIIBOCJPBMYFSE-PNESKVBLSA-N 2 0 223.364 0.799 20 0 BCADRP [NH3+]C[C@H]1CN(C[C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000903760994 584797129 /nfs/dbraw/zinc/79/71/29/584797129.db2.gz MLLOBPMXQFHPEZ-OLZOCXBDSA-N 2 0 241.379 0.426 20 0 BCADRP [NH3+]CC1(O)CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903761603 584797523 /nfs/dbraw/zinc/79/75/23/584797523.db2.gz WZWTUEZRYRQUEG-GFCCVEGCSA-N 3 0 241.379 0.162 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C[C@@H]1CCCC[NH2+]C1 ZINC000903779159 584799756 /nfs/dbraw/zinc/79/97/56/584799756.db2.gz UYYVCSNXMKEMNZ-IJLUTSLNSA-N 2 0 211.353 0.798 20 0 BCADRP C([C@@H]1CCCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903779118 584799948 /nfs/dbraw/zinc/79/99/48/584799948.db2.gz UJVACSDXFKQESF-UPJWGTAASA-N 2 0 223.364 0.812 20 0 BCADRP [NH3+]C[C@]12CC[C@@H]1CCCN2C[C@H]1CCC[NH2+]1 ZINC000903806659 584802872 /nfs/dbraw/zinc/80/28/72/584802872.db2.gz ZOGPNMCRBDTHPH-YNEHKIRRSA-N 2 0 223.364 0.942 20 0 BCADRP [NH3+]CCN1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810517 584803222 /nfs/dbraw/zinc/80/32/22/584803222.db2.gz CYYVKPUJUCGFPU-LLVKDONJSA-N 2 0 211.353 0.929 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@H+](C)[C@@H]1CC[C@@H]1OC ZINC000903830164 584805474 /nfs/dbraw/zinc/80/54/74/584805474.db2.gz VIBHFQORZRJQLA-VWYCJHECSA-N 2 0 216.325 0.066 20 0 BCADRP O[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C[C@H]1F ZINC000903840190 584807183 /nfs/dbraw/zinc/80/71/83/584807183.db2.gz PETMQDWUKVESAG-NEPJUHHUSA-N 2 0 230.327 0.781 20 0 BCADRP O[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1F ZINC000903839226 584807281 /nfs/dbraw/zinc/80/72/81/584807281.db2.gz JCXZKJIBYOWDCH-HBNTYKKESA-N 2 0 216.300 0.391 20 0 BCADRP CC(C)NC(=O)CN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856069 584808773 /nfs/dbraw/zinc/80/87/73/584808773.db2.gz QFMFCMBBMSARMP-CMPLNLGQSA-N 2 0 225.336 0.324 20 0 BCADRP NC[C@]12CC[C@H]1CC[N@@H+]2CC[C@H]1CC[NH2+]C1 ZINC000903858871 584811086 /nfs/dbraw/zinc/81/10/86/584811086.db2.gz JROHLZUXWDTKCK-FRRDWIJNSA-N 2 0 223.364 0.799 20 0 BCADRP [NH3+]C[C@]12CC[C@@H]1CCN2C[C@H]1CCC[NH2+]1 ZINC000903861444 584811792 /nfs/dbraw/zinc/81/17/92/584811792.db2.gz XFCZYOKBVSKCJE-IJLUTSLNSA-N 2 0 209.337 0.552 20 0 BCADRP [NH3+]C[C@@]12CC[C@@H]1CCN2C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000903859915 584812308 /nfs/dbraw/zinc/81/23/08/584812308.db2.gz PXKBOJPMTXOPCO-RHYQMDGZSA-N 2 0 227.327 0.500 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1CCC[C@@H]([NH3+])C1 ZINC000903873097 584815123 /nfs/dbraw/zinc/81/51/23/584815123.db2.gz FQMWAMXXVUQJLJ-HTQZYQBOSA-N 2 0 207.268 0.392 20 0 BCADRP C(CN1CCC[C@@]12CC[NH2+]C2)O[C@H]1CCOC1 ZINC000903869127 584813666 /nfs/dbraw/zinc/81/36/66/584813666.db2.gz BOZVWYAAOHJFEH-STQMWFEESA-N 2 0 240.347 0.620 20 0 BCADRP c1nc2n(n1)[C@H](CN1CCC[C@@]13CC[NH2+]C3)CC2 ZINC000903869120 584813685 /nfs/dbraw/zinc/81/36/85/584813685.db2.gz BOYAQDTYENWQPO-AAEUAGOBSA-N 2 0 247.346 0.593 20 0 BCADRP CN(CCN1CCCC1=O)C[C@@H]([NH3+])CC(F)F ZINC000903891750 584814081 /nfs/dbraw/zinc/81/40/81/584814081.db2.gz CIALAMFCVAHKQK-VIFPVBQESA-N 2 0 249.305 0.523 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@]23CC[NH2+]C3)C1 ZINC000903869156 584814360 /nfs/dbraw/zinc/81/43/60/584814360.db2.gz CMSDRMVCKAHDHY-YNEHKIRRSA-N 3 0 223.364 0.942 20 0 BCADRP O[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872003 584815008 /nfs/dbraw/zinc/81/50/08/584815008.db2.gz ACKKYHYKGVEFRQ-PSEXLTFBSA-N 2 0 224.348 0.974 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CCC[C@]23CC[NH2+]C3)C1 ZINC000903871831 584815356 /nfs/dbraw/zinc/81/53/56/584815356.db2.gz WDXAFQNUFBGACO-SDDRHHMPSA-N 2 0 227.327 0.514 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903873286 584815925 /nfs/dbraw/zinc/81/59/25/584815925.db2.gz GIMZPSBMKDLOAO-VHSXEESVSA-N 2 0 235.322 0.900 20 0 BCADRP C[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000903873977 584815935 /nfs/dbraw/zinc/81/59/35/584815935.db2.gz PRVYYGWLRWVAHE-WODVXLOZSA-N 2 0 223.364 0.811 20 0 BCADRP C[N@H+](CCO)Cc1cccc2c1CC[NH2+]C2 ZINC000903873774 584816003 /nfs/dbraw/zinc/81/60/03/584816003.db2.gz XIGOGCALJSUTBW-UHFFFAOYSA-N 2 0 220.316 0.756 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C[C@@H]([NH3+])CC(F)F ZINC000903873681 584816247 /nfs/dbraw/zinc/81/62/47/584816247.db2.gz KEZGGJQHBAVCOQ-DTWKUNHWSA-N 2 0 221.295 0.653 20 0 BCADRP NC(=O)CC1([NH2+]CCC[NH3+])CCCCC1 ZINC000903874558 584816398 /nfs/dbraw/zinc/81/63/98/584816398.db2.gz DCDHKZGEELHNDT-UHFFFAOYSA-N 2 0 213.325 0.503 20 0 BCADRP C[C@@]1(C2CC2)COCCN1C[C@@H]1C[NH2+]CCO1 ZINC000903881150 584817809 /nfs/dbraw/zinc/81/78/09/584817809.db2.gz FKSHSFIVBGZAKR-STQMWFEESA-N 2 0 240.347 0.476 20 0 BCADRP OCCC[N@H+](CCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903893067 584818935 /nfs/dbraw/zinc/81/89/35/584818935.db2.gz PRJDNCFFELLSJS-YHWZYXNKSA-N 2 0 242.363 0.194 20 0 BCADRP CN(Cc1nc[nH]n1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903895590 584819831 /nfs/dbraw/zinc/81/98/31/584819831.db2.gz OPPCMRLBVNBIIB-FGWVZKOKSA-N 2 0 235.335 0.767 20 0 BCADRP F[C@@H]1CN[C@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903918589 584822537 /nfs/dbraw/zinc/82/25/37/584822537.db2.gz CGPOTJLODLCXRN-XETPVMHDSA-N 2 0 241.354 0.807 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC[C@H]([NH3+])CC(F)F ZINC000903919273 584823070 /nfs/dbraw/zinc/82/30/70/584823070.db2.gz LNORFJQCIDIWEF-SFYZADRCSA-N 2 0 221.295 0.699 20 0 BCADRP CC1(C)CN(C[C@@H]([NH3+])CC(F)F)CC[NH2+]1 ZINC000903918753 584823337 /nfs/dbraw/zinc/82/33/37/584823337.db2.gz HAJYYVDLIPTSNM-QMMMGPOBSA-N 2 0 221.295 0.653 20 0 BCADRP [NH3+][C@@H](C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903919071 584823345 /nfs/dbraw/zinc/82/33/45/584823345.db2.gz LHHCRHMGTQEZLG-CTEVKTCYSA-N 3 0 223.364 0.844 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]([NH3+])CC(F)F ZINC000903920049 584823407 /nfs/dbraw/zinc/82/34/07/584823407.db2.gz RQQANGRXHIBGOT-HLTSFMKQSA-N 2 0 221.295 0.557 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1CCC[C@H]1CCO ZINC000903929637 584824306 /nfs/dbraw/zinc/82/43/06/584824306.db2.gz IIOXIJOQCILLRP-BDAKNGLRSA-N 2 0 222.279 0.816 20 0 BCADRP C[C@@H](N)C[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903933933 584824750 /nfs/dbraw/zinc/82/47/50/584824750.db2.gz BKASVXWEKFYAEM-WAAKLRNESA-N 2 0 211.353 0.796 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000903933457 584824872 /nfs/dbraw/zinc/82/48/72/584824872.db2.gz RPWPCPBEURMYAS-NGZCFLSTSA-N 2 0 233.306 0.782 20 0 BCADRP [NH3+][C@H](CNCC1([NH3+])CCCC1)CC(F)F ZINC000903932567 584825197 /nfs/dbraw/zinc/82/51/97/584825197.db2.gz DVLGXTZTXWTYKS-QMMMGPOBSA-N 2 0 221.295 0.830 20 0 BCADRP [NH3+][C@H](CN[C@@]12CCC[C@H]1[NH2+]CC2)CC(F)F ZINC000903937648 584826357 /nfs/dbraw/zinc/82/63/57/584826357.db2.gz OUDIDCBRHRBBHP-IQJOONFLSA-N 2 0 233.306 0.843 20 0 BCADRP NC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903917317 584826787 /nfs/dbraw/zinc/82/67/87/584826787.db2.gz LFYFMMNUFJHELS-PLKNYFGKSA-N 2 0 223.364 0.844 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000903917002 584826888 /nfs/dbraw/zinc/82/68/88/584826888.db2.gz JGUVPPHSOBHZOZ-VGMNWLOBSA-N 2 0 219.279 0.263 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000903916166 584827008 /nfs/dbraw/zinc/82/70/08/584827008.db2.gz FRPRTDGTWOFYCR-AEJSXWLSSA-N 2 0 233.306 0.653 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000903918130 584827065 /nfs/dbraw/zinc/82/70/65/584827065.db2.gz SWZOFWWIYOKEGS-KOLCDFICSA-N 2 0 233.306 0.654 20 0 BCADRP C[C@H](NC[C@@H]([NH3+])CC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000903917766 584827204 /nfs/dbraw/zinc/82/72/04/584827204.db2.gz NHCZYZTZXZILJT-AEJSXWLSSA-N 2 0 235.322 0.947 20 0 BCADRP FC1(F)CC[NH2+]C[C@@H]1CN[C@H]1CCC[NH2+]C1 ZINC000903957734 584827571 /nfs/dbraw/zinc/82/75/71/584827571.db2.gz SZXNSCFHCZCCSG-ZJUUUORDSA-N 2 0 233.306 0.573 20 0 BCADRP COC[C@H]([NH2+]CCC[NH3+])[C@H]1CCCOC1 ZINC000903959420 584827747 /nfs/dbraw/zinc/82/77/47/584827747.db2.gz HTMDXAXZQRETLP-QWRGUYRKSA-N 2 0 216.325 0.366 20 0 BCADRP FC1(F)CC[NH2+]C[C@@H]1CN[C@@H]1CCC[NH2+]C1 ZINC000903957731 584827791 /nfs/dbraw/zinc/82/77/91/584827791.db2.gz SZXNSCFHCZCCSG-NXEZZACHSA-N 2 0 233.306 0.573 20 0 BCADRP COC(=O)[C@]12CCC[C@H]1C[N@H+](CC(C)(C)[NH3+])C2 ZINC000903939765 584829035 /nfs/dbraw/zinc/82/90/35/584829035.db2.gz LYLKZDRMFDIQIO-GWCFXTLKSA-N 2 0 240.347 0.999 20 0 BCADRP CCC1([NH3+])CCN(C[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC000903948171 584829936 /nfs/dbraw/zinc/82/99/36/584829936.db2.gz MMUJSLWYPSCXKM-NEPJUHHUSA-N 2 0 223.364 0.799 20 0 BCADRP Nc1cc[nH+]c(CN[C@H]2CCC[NH2+]C2)c1 ZINC000903953662 584831431 /nfs/dbraw/zinc/83/14/31/584831431.db2.gz IOOKIWRPORPEHX-JTQLQIEISA-N 2 0 206.293 0.505 20 0 BCADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000903955084 584831861 /nfs/dbraw/zinc/83/18/61/584831861.db2.gz KKAZZNUAWKYMSD-NSHDSACASA-N 3 0 247.333 0.820 20 0 BCADRP C[C@@]1(CNC[C@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000903956106 584832065 /nfs/dbraw/zinc/83/20/65/584832065.db2.gz GZSHFWDQWBBXHW-GHMZBOCLSA-N 2 0 247.333 0.820 20 0 BCADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000903955083 584832109 /nfs/dbraw/zinc/83/21/09/584832109.db2.gz KKAZZNUAWKYMSD-LLVKDONJSA-N 3 0 247.333 0.820 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCO[C@H]1C ZINC000903974445 584832546 /nfs/dbraw/zinc/83/25/46/584832546.db2.gz MYRFSQXCGBXFIM-WRWGMCAJSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCO[C@H]1C ZINC000903974444 584832743 /nfs/dbraw/zinc/83/27/43/584832743.db2.gz MYRFSQXCGBXFIM-KXNHARMFSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903978845 584833141 /nfs/dbraw/zinc/83/31/41/584833141.db2.gz YSPXDRVVNGFNFA-UPJWGTAASA-N 3 0 225.380 0.903 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000903963876 584834147 /nfs/dbraw/zinc/83/41/47/584834147.db2.gz ILQSPUBYUIFUSO-KXUCPTDWSA-N 2 0 200.351 0.937 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1C[NH2+]C[C@H](C)C1 ZINC000903967687 584835147 /nfs/dbraw/zinc/83/51/47/584835147.db2.gz KQDDOERAGPWLRU-WYUUTHIRSA-N 2 0 211.353 0.430 20 0 BCADRP C[C@@H](C[C@H]1CCC[NH2+]1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967993 584835175 /nfs/dbraw/zinc/83/51/75/584835175.db2.gz OKDGXFHZKCFFKI-MROQNXINSA-N 2 0 225.380 0.962 20 0 BCADRP CC1(C)CN(C[C@@H]([NH3+])CC(F)F)C[C@@H]1[NH3+] ZINC000903986092 584835624 /nfs/dbraw/zinc/83/56/24/584835624.db2.gz FNGHMPBBUZVQQK-YUMQZZPRSA-N 2 0 221.295 0.638 20 0 BCADRP C[C@@]1(CN2CCC[NH2+]CC2)CCC[NH2+]C1 ZINC000904299410 584860611 /nfs/dbraw/zinc/86/06/11/584860611.db2.gz COACVYCQTWKDJE-GFCCVEGCSA-N 2 0 211.353 0.671 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(N)nn2)CC1 ZINC000904299441 584860615 /nfs/dbraw/zinc/86/06/15/584860615.db2.gz DOBZHUOSJFNEMN-VIFPVBQESA-N 2 0 235.335 0.618 20 0 BCADRP C[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1CN ZINC000904299772 584860626 /nfs/dbraw/zinc/86/06/26/584860626.db2.gz OBYASOOLPAVSCK-NNYUYHANSA-N 2 0 211.353 0.783 20 0 BCADRP C[C@@H]1CN(Cc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000904299531 584860683 /nfs/dbraw/zinc/86/06/83/584860683.db2.gz GQXYUEHSALLJJT-LLVKDONJSA-N 2 0 219.332 0.939 20 0 BCADRP CCOC(=O)[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904301519 584861085 /nfs/dbraw/zinc/86/10/85/584861085.db2.gz MWIFNWWQYPWOIJ-SDDRHHMPSA-N 2 0 240.347 0.999 20 0 BCADRP C[C@]1(C[N@@H+]2CCC[C@H](O)C2)CCC[NH2+]C1 ZINC000904301605 584861087 /nfs/dbraw/zinc/86/10/87/584861087.db2.gz JSGZIJNRGWAOGW-RYUDHWBXSA-N 2 0 212.337 0.833 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)Cc1ccc(N)nn1 ZINC000904301070 584861172 /nfs/dbraw/zinc/86/11/72/584861172.db2.gz FRZIOJSMUCYKRX-NSHDSACASA-N 2 0 237.351 0.864 20 0 BCADRP CN(CC(=O)NC1CC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904304141 584861751 /nfs/dbraw/zinc/86/17/51/584861751.db2.gz SGXSDSQZCOVULB-ZDUSSCGKSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000904302063 584861818 /nfs/dbraw/zinc/86/18/18/584861818.db2.gz UNQOULOQJNUJCH-YFKTTZPYSA-N 2 0 211.353 0.783 20 0 BCADRP CC[C@H]1CN(Cc2ccc(N)nn2)CC[C@@H]1[NH3+] ZINC000904302680 584861842 /nfs/dbraw/zinc/86/18/42/584861842.db2.gz YAYMRAUKDYULGP-ONGXEEELSA-N 2 0 235.335 0.618 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000904302872 584862162 /nfs/dbraw/zinc/86/21/62/584862162.db2.gz ZWPFWGAYIRZVST-UJPOAAIJSA-N 3 0 223.364 0.783 20 0 BCADRP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309203 584862471 /nfs/dbraw/zinc/86/24/71/584862471.db2.gz CSSFGVJXJMBWKS-UKKRHICBSA-N 2 0 225.336 0.310 20 0 BCADRP COC(=O)[C@@H](C)C[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312986 584863481 /nfs/dbraw/zinc/86/34/81/584863481.db2.gz VZBIZKPJDKACRA-LPEHRKFASA-N 2 0 214.309 0.465 20 0 BCADRP CC(C)[C@H]1C(=O)NCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904316446 584863490 /nfs/dbraw/zinc/86/34/90/584863490.db2.gz PMSNUZVRVPJZPP-AXFHLTTASA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H](O)C[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904337066 584863566 /nfs/dbraw/zinc/86/35/66/584863566.db2.gz ZORYTXDWIOWKBA-QWRGUYRKSA-N 2 0 200.326 0.689 20 0 BCADRP CN1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C(C)(C)C1=O ZINC000904322732 584864419 /nfs/dbraw/zinc/86/44/19/584864419.db2.gz IVEUDDQQYABGHD-AOOOYVTPSA-N 2 0 225.336 0.276 20 0 BCADRP COC(=O)C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904323070 584864818 /nfs/dbraw/zinc/86/48/18/584864818.db2.gz LOFURWOCYHRALH-AXFHLTTASA-N 2 0 226.320 0.751 20 0 BCADRP CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321839 584864935 /nfs/dbraw/zinc/86/49/35/584864935.db2.gz HWKOTUGDRPLHKL-GARJFASQSA-N 2 0 248.392 0.479 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)C1 ZINC000904326916 584865064 /nfs/dbraw/zinc/86/50/64/584865064.db2.gz SYYXTYUCMHYNBU-WHOHXGKFSA-N 2 0 242.388 0.930 20 0 BCADRP CS(=O)(=O)CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904327009 584865079 /nfs/dbraw/zinc/86/50/79/584865079.db2.gz WQIAHQAERQRXGF-AOOOYVTPSA-N 2 0 246.376 0.233 20 0 BCADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCC[C@@H]1O ZINC000904327240 584865116 /nfs/dbraw/zinc/86/51/16/584865116.db2.gz ACLAPKPHVIISNX-WYUUTHIRSA-N 2 0 212.337 0.817 20 0 BCADRP CC(C)OC(=O)[C@@H](C)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904326739 584865119 /nfs/dbraw/zinc/86/51/19/584865119.db2.gz RNRLJVJXMGQWBY-MXWKQRLJSA-N 2 0 228.336 0.996 20 0 BCADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCC[C@@H]1O ZINC000904327241 584865547 /nfs/dbraw/zinc/86/55/47/584865547.db2.gz ACLAPKPHVIISNX-YFKTTZPYSA-N 2 0 212.337 0.817 20 0 BCADRP CC(C)C(=O)NCC[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904328165 584865556 /nfs/dbraw/zinc/86/55/56/584865556.db2.gz MGWMKMAVTKTILF-PHIMTYICSA-N 2 0 227.352 0.428 20 0 BCADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCC[C@H]1O ZINC000904327238 584865559 /nfs/dbraw/zinc/86/55/59/584865559.db2.gz ACLAPKPHVIISNX-NNYUYHANSA-N 2 0 212.337 0.817 20 0 BCADRP COC(=O)[C@@H](C)C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904330063 584866089 /nfs/dbraw/zinc/86/60/89/584866089.db2.gz XUVUATNDYLLQOY-GARJFASQSA-N 2 0 240.347 0.997 20 0 BCADRP CC(C)[C@H]1CN(C)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904332031 584866259 /nfs/dbraw/zinc/86/62/59/584866259.db2.gz MZVPUENPGZTWPQ-FRRDWIJNSA-N 2 0 225.380 0.996 20 0 BCADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCO[C@H](C[NH3+])C1 ZINC000904333228 584866665 /nfs/dbraw/zinc/86/66/65/584866665.db2.gz VIERVLVMHAYLQV-VXGBXAGGSA-N 2 0 243.395 0.800 20 0 BCADRP C[N@H+](CCOCCO)C[C@]1(C)CCC[NH2+]C1 ZINC000904342263 584867238 /nfs/dbraw/zinc/86/72/38/584867238.db2.gz BCMQVSKJSGLDSV-GFCCVEGCSA-N 2 0 230.352 0.317 20 0 BCADRP CNC(=O)[C@]1(C)CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904342537 584867522 /nfs/dbraw/zinc/86/75/22/584867522.db2.gz KANKVGVMFGNGRB-JFGNBEQYSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904346093 584868605 /nfs/dbraw/zinc/86/86/05/584868605.db2.gz QQGABUXYYPURLW-GARJFASQSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC[C@@]1(C)CCC[NH2+]C1 ZINC000904350469 584869106 /nfs/dbraw/zinc/86/91/06/584869106.db2.gz MBGBQUATHCZMEV-RYUDHWBXSA-N 2 0 213.369 0.949 20 0 BCADRP COC(=O)[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1C ZINC000904348990 584868909 /nfs/dbraw/zinc/86/89/09/584868909.db2.gz ZAENWBXPOGCCBU-ZNSHCXBVSA-N 2 0 226.320 0.607 20 0 BCADRP [NH3+][C@H]1C[C@@H](CN2CC[NH2+]C[C@H]2C(F)F)C1 ZINC000904350223 584869023 /nfs/dbraw/zinc/86/90/23/584869023.db2.gz IOMZKCWUNPUECG-YIZRAAEISA-N 2 0 219.279 0.263 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1C ZINC000904348989 584869150 /nfs/dbraw/zinc/86/91/50/584869150.db2.gz ZAENWBXPOGCCBU-UKKRHICBSA-N 2 0 226.320 0.607 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000904350102 584869196 /nfs/dbraw/zinc/86/91/96/584869196.db2.gz IAAOXPDNYIXSIS-XQQFMLRXSA-N 3 0 223.364 0.799 20 0 BCADRP Cc1c(C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cnn1C ZINC000904350755 584869280 /nfs/dbraw/zinc/86/92/80/584869280.db2.gz OWXFZTXHODVWKT-KLPPZKSPSA-N 2 0 222.336 0.898 20 0 BCADRP [NH3+]Cc1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000904350688 584869637 /nfs/dbraw/zinc/86/96/37/584869637.db2.gz PCTAEJUJTUTWMI-KGLIPLIRSA-N 2 0 231.343 0.939 20 0 BCADRP [NH3+]CCN1CCC([NH2+]C[C@@H]2CCCCN2)CC1 ZINC000904353042 584869801 /nfs/dbraw/zinc/86/98/01/584869801.db2.gz GTWSBWRZBDWLOB-ZDUSSCGKSA-N 3 0 240.395 0.141 20 0 BCADRP [NH3+]CC1CC([NH2+]CC2([NH3+])CCCCC2)C1 ZINC000904353050 584869913 /nfs/dbraw/zinc/86/99/13/584869913.db2.gz GYFGNNHKBKGZLN-UHFFFAOYSA-N 2 0 211.353 0.975 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000904355246 584870606 /nfs/dbraw/zinc/87/06/06/584870606.db2.gz OSHSKZJTOJEVSJ-OUAUKWLOSA-N 3 0 209.337 0.455 20 0 BCADRP Nc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)nn1 ZINC000904354833 584870714 /nfs/dbraw/zinc/87/07/14/584870714.db2.gz JNOYYZNXJYQWFO-DTWKUNHWSA-N 2 0 221.308 0.276 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+]C[C@@H]2C[C@H](F)CN2)C1 ZINC000904354658 584870944 /nfs/dbraw/zinc/87/09/44/584870944.db2.gz IMNIRIFYNHFPGH-QEYWKRMJSA-N 2 0 201.289 0.013 20 0 BCADRP [NH3+]CCN1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000904356079 584871276 /nfs/dbraw/zinc/87/12/76/584871276.db2.gz SVGJLOOMPHHRKV-AAEUAGOBSA-N 3 0 240.395 0.269 20 0 BCADRP [NH3+][C@H]1C[C@@H](CN[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000904355640 584871346 /nfs/dbraw/zinc/87/13/46/584871346.db2.gz VLHFQLODXCSOCM-HRDYMLBCSA-N 2 0 219.279 0.311 20 0 BCADRP C[C@H]([C@H](C)[NH2+]C1CC(C[NH3+])C1)N1CCOCC1 ZINC000904361933 584872201 /nfs/dbraw/zinc/87/22/01/584872201.db2.gz CLINALOAMJZTTO-ZFDZMSFRSA-N 2 0 241.379 0.423 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@]1(C)CCC[NH2+]C1 ZINC000904358494 584872441 /nfs/dbraw/zinc/87/24/41/584872441.db2.gz NGZYPWBKIMIZQP-SDDRHHMPSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@]1(CN2CCCO[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904371505 584873339 /nfs/dbraw/zinc/87/33/39/584873339.db2.gz OULDXDUMGWBQOO-CHWSQXEVSA-N 2 0 241.379 0.426 20 0 BCADRP C[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000904371331 584873458 /nfs/dbraw/zinc/87/34/58/584873458.db2.gz MSEMUFGYVAHBCE-NNYUYHANSA-N 3 0 211.353 0.640 20 0 BCADRP CC(C)N1CC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1=O ZINC000904363273 584874207 /nfs/dbraw/zinc/87/42/07/584874207.db2.gz DFYVUZNUKHQKKB-OUAUKWLOSA-N 2 0 225.336 0.323 20 0 BCADRP COC(=O)CC1([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904375553 584875573 /nfs/dbraw/zinc/87/55/73/584875573.db2.gz BVIFTZSICSOQHQ-DTORHVGOSA-N 2 0 212.293 0.409 20 0 BCADRP [NH3+]CCCOCC[NH2+]Cc1nccn1C1CC1 ZINC000904381189 584876547 /nfs/dbraw/zinc/87/65/47/584876547.db2.gz LFXSMRQPSQZONA-UHFFFAOYSA-N 2 0 238.335 0.673 20 0 BCADRP [NH3+]CCCOCC[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904381201 584876660 /nfs/dbraw/zinc/87/66/60/584876660.db2.gz LIPOUGCWXPDKMS-UHFFFAOYSA-N 3 0 237.347 0.600 20 0 BCADRP [NH3+]CC1CC([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC000904381424 584876720 /nfs/dbraw/zinc/87/67/20/584876720.db2.gz OOIYJCSGYZXEMI-CBINBANVSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@@H]1CC[C@@H]([NH2+]C2CCN(CC[NH3+])CC2)CN1 ZINC000904380647 584876811 /nfs/dbraw/zinc/87/68/11/584876811.db2.gz FQQUXOFLGFMBRM-DGCLKSJQSA-N 2 0 240.395 0.140 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904383573 584877108 /nfs/dbraw/zinc/87/71/08/584877108.db2.gz CBGHTIHZCLCBFH-NNYUYHANSA-N 3 0 209.337 0.265 20 0 BCADRP Nc1ccnc(C[NH2+]C2CCN(CC[NH3+])CC2)c1 ZINC000904385949 584877716 /nfs/dbraw/zinc/87/77/16/584877716.db2.gz LAYBJXRUXPVCFS-UHFFFAOYSA-N 2 0 249.362 0.177 20 0 BCADRP Nc1ccnc(C[NH2+]C2CC(C[NH3+])C2)c1 ZINC000904386194 584878028 /nfs/dbraw/zinc/87/80/28/584878028.db2.gz RUWKXEUGMFKLJQ-UHFFFAOYSA-N 2 0 206.293 0.491 20 0 BCADRP CCC1([NH3+])CC[NH+](C2CC(C[NH3+])C2)CC1 ZINC000904385774 584878065 /nfs/dbraw/zinc/87/80/65/584878065.db2.gz FDEXJRGOFVHTNH-UHFFFAOYSA-N 3 0 211.353 0.927 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cnnn2C)CC[C@@H]1C[NH3+] ZINC000904411921 584879749 /nfs/dbraw/zinc/87/97/49/584879749.db2.gz QFDAXPVLBUBSJC-NXEZZACHSA-N 2 0 223.324 0.232 20 0 BCADRP c1c(C[NH2+][C@@H]2CNOC2)sc2c1C[NH2+]CC2 ZINC000904423880 584880158 /nfs/dbraw/zinc/88/01/58/584880158.db2.gz KIPRTGKCVYQDCB-SECBINFHSA-N 2 0 239.344 0.387 20 0 BCADRP COC[C@@H](C)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420747 584882002 /nfs/dbraw/zinc/88/20/02/584882002.db2.gz WBAFGQXJRFLOHI-SDDRHHMPSA-N 2 0 212.337 0.810 20 0 BCADRP CC(C)(C)[NH2+]CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420922 584882186 /nfs/dbraw/zinc/88/21/86/584882186.db2.gz YPDLUBVKQQNVOH-NWDGAFQWSA-N 2 0 225.380 0.916 20 0 BCADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCC[NH2+]CC1 ZINC000876506679 584885560 /nfs/dbraw/zinc/88/55/60/584885560.db2.gz XMXDPGJHBPPYQV-ZYOFXKKJSA-N 2 0 237.347 0.364 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876515912 584885613 /nfs/dbraw/zinc/88/56/13/584885613.db2.gz ZYWWGKBZEARKKO-JYYSYOFASA-N 2 0 237.347 0.363 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876534287 584885838 /nfs/dbraw/zinc/88/58/38/584885838.db2.gz AVCBCDWSBXNDLJ-OPRDCNLKSA-N 2 0 227.352 0.459 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876534285 584885893 /nfs/dbraw/zinc/88/58/93/584885893.db2.gz AVCBCDWSBXNDLJ-IVZWLZJFSA-N 2 0 227.352 0.459 20 0 BCADRP CC(C)([NH3+])CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876538604 584886327 /nfs/dbraw/zinc/88/63/27/584886327.db2.gz KZSXFEHCQZVNRK-PORFMDCZSA-N 2 0 225.336 0.396 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000876727534 584886915 /nfs/dbraw/zinc/88/69/15/584886915.db2.gz MVAYFELHHYVWDL-VWYCJHECSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876830330 584887133 /nfs/dbraw/zinc/88/71/33/584887133.db2.gz GQRWKQOWRNRELD-CHWFTXMASA-N 2 0 239.363 0.474 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000876792459 584887241 /nfs/dbraw/zinc/88/72/41/584887241.db2.gz WHGNWXDTHSKFJP-KXUCPTDWSA-N 2 0 225.336 0.213 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H]1C ZINC000876831777 584887413 /nfs/dbraw/zinc/88/74/13/584887413.db2.gz KATLHFNFMJPNSF-KKOKHZNYSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876934477 584888097 /nfs/dbraw/zinc/88/80/97/584888097.db2.gz HZVCSBIRCLUFHQ-XZUYRWCXSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000877005293 584888725 /nfs/dbraw/zinc/88/87/25/584888725.db2.gz QYPWAFBZCKZQCG-ONGXEEELSA-N 2 0 237.347 0.528 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000827683447 584900138 /nfs/dbraw/zinc/90/01/38/584900138.db2.gz HTXXEGAAMNPLQJ-BXKDBHETSA-N 2 0 241.310 0.041 20 0 BCADRP C[C@H]([NH3+])CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000834685975 584914516 /nfs/dbraw/zinc/91/45/16/584914516.db2.gz AAZVCDRFAOZIIA-VIFPVBQESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC2(C)C)CC[C@H]1[NH3+] ZINC000884033525 584937718 /nfs/dbraw/zinc/93/77/18/584937718.db2.gz OVIYIKAHFNHJFK-OUAUKWLOSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC2(C)C)CC[C@@H]1[NH3+] ZINC000884033524 584937777 /nfs/dbraw/zinc/93/77/77/584937777.db2.gz OVIYIKAHFNHJFK-MXWKQRLJSA-N 2 0 239.363 0.428 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000733367594 584947315 /nfs/dbraw/zinc/94/73/15/584947315.db2.gz GEVOKCJGCJXKCJ-NEPJUHHUSA-N 2 0 239.363 0.348 20 0 BCADRP C[NH+](C)CCCCC(=O)NCC[NH+]1CCCC1 ZINC000741207611 585111232 /nfs/dbraw/zinc/11/12/32/585111232.db2.gz HPDXPENHXSHTKZ-UHFFFAOYSA-N 2 0 241.379 0.930 20 0 BCADRP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@H+](C)C2)CCC1 ZINC000762978972 585440621 /nfs/dbraw/zinc/44/06/21/585440621.db2.gz OCUALKLQHSSUQK-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C1([NH+](C)C)CCC1 ZINC000763009420 585441427 /nfs/dbraw/zinc/44/14/27/585441427.db2.gz LNWYMTOMRXFPJM-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+](C)C2)CCC1 ZINC000763040860 585442041 /nfs/dbraw/zinc/44/20/41/585442041.db2.gz ALIOILYJVVTJOP-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3cnnc3)C2)CC1 ZINC000776763881 585704682 /nfs/dbraw/zinc/70/46/82/585704682.db2.gz SUTQDMUDWSNSCI-CYBMUJFWSA-N 2 0 249.362 0.899 20 0 BCADRP C[C@H](CCO)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000779341458 585751732 /nfs/dbraw/zinc/75/17/32/585751732.db2.gz HWUNDEWRINTJIE-GHMZBOCLSA-N 2 0 212.337 0.831 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@H](C)CCO ZINC000779340264 585751930 /nfs/dbraw/zinc/75/19/30/585751930.db2.gz BMUXYRXEGQOXCA-LLVKDONJSA-N 2 0 218.341 0.315 20 0 BCADRP Cc1cc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)nc(N)[nH+]1 ZINC000785836789 585881660 /nfs/dbraw/zinc/88/16/60/585881660.db2.gz GFJFGWLPPMNALB-UWVGGRQHSA-N 2 0 235.335 0.896 20 0 BCADRP CC[C@H](CO)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000788327768 585922150 /nfs/dbraw/zinc/92/21/50/585922150.db2.gz RSPDLZLMBZSYHT-GFCCVEGCSA-N 2 0 235.331 0.975 20 0 BCADRP O[C@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000795096414 586068609 /nfs/dbraw/zinc/06/86/09/586068609.db2.gz WCZVEERXEOSPMK-CQSZACIVSA-N 2 0 247.342 0.975 20 0 BCADRP C[C@@H](C(N)=O)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178463 586165847 /nfs/dbraw/zinc/16/58/47/586165847.db2.gz VQGDRNMYCVURLK-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP CC[NH2+]CC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000817860297 586830876 /nfs/dbraw/zinc/83/08/76/586830876.db2.gz FXALXQCKVHAXIG-MXWKQRLJSA-N 2 0 227.352 0.428 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000817891018 586831750 /nfs/dbraw/zinc/83/17/50/586831750.db2.gz DPDJSILCKWMTBN-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP COC(=O)N1CCC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000817903166 586835989 /nfs/dbraw/zinc/83/59/89/586835989.db2.gz JAQBJOKPDBHZAN-MXWKQRLJSA-N 2 0 243.351 0.933 20 0 BCADRP C[C@H](NCC[N@@H+]1CCC[C@H]1C)C1C[NH2+]C1 ZINC000817912827 586838638 /nfs/dbraw/zinc/83/86/38/586838638.db2.gz JMCYMUBCGCFESI-MNOVXSKESA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(C)OCCO1 ZINC000817916173 586839478 /nfs/dbraw/zinc/83/94/78/586839478.db2.gz CMECDNKRWFZRDC-WDEREUQCSA-N 2 0 228.336 0.727 20 0 BCADRP [NH3+]Cc1cccc(C(=O)N[C@@H](C[NH3+])C2CC2)c1 ZINC000818523960 586897287 /nfs/dbraw/zinc/89/72/87/586897287.db2.gz NSYGUYSJJZJCFQ-LBPRGKRZSA-N 2 0 233.315 0.612 20 0 BCADRP C[C@@H](C(=O)N(C)C1CCC([NH3+])CC1)[C@H](C)[NH3+] ZINC000818529365 586897703 /nfs/dbraw/zinc/89/77/03/586897703.db2.gz WBKKRWCGNVQTTI-MFQSTILNSA-N 2 0 227.352 0.698 20 0 BCADRP [NH3+]Cc1cccc(C(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000818532506 586898624 /nfs/dbraw/zinc/89/86/24/586898624.db2.gz NBLSOPYVHHZBIV-GFCCVEGCSA-N 2 0 247.342 0.875 20 0 BCADRP [NH3+]Cc1cccc(C(=O)NCC[NH2+]C2CC2)c1 ZINC000818541083 586898935 /nfs/dbraw/zinc/89/89/35/586898935.db2.gz AEVTUWKYYAPMCS-UHFFFAOYSA-N 2 0 233.315 0.627 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818536266 586899047 /nfs/dbraw/zinc/89/90/47/586899047.db2.gz PXZCGZYGCPJTBY-SNVBAGLBSA-N 2 0 235.331 0.399 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818612958 586906785 /nfs/dbraw/zinc/90/67/85/586906785.db2.gz ZNKCIROWLZDPHC-NHCYSSNCSA-N 2 0 225.336 0.324 20 0 BCADRP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000818973474 586919492 /nfs/dbraw/zinc/91/94/92/586919492.db2.gz XHALZFWLYZOOPI-MFKMUULPSA-N 2 0 224.348 0.831 20 0 BCADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000818973467 586919559 /nfs/dbraw/zinc/91/95/59/586919559.db2.gz XHALZFWLYZOOPI-GWCFXTLKSA-N 2 0 224.348 0.831 20 0 BCADRP CON(C)C(=O)CC[NH2+][C@H](C)CC[NH+](C)C ZINC000819060879 586928390 /nfs/dbraw/zinc/92/83/90/586928390.db2.gz QRPKMFCUVMFGAA-SNVBAGLBSA-N 2 0 231.340 0.326 20 0 BCADRP CC[C@H]1CN(C)CCN1C(=O)C[NH+]1CCCC1 ZINC000823199157 587207997 /nfs/dbraw/zinc/20/79/97/587207997.db2.gz YSLHHCDEXQKOPK-LBPRGKRZSA-N 2 0 239.363 0.635 20 0 BCADRP C[NH+](C)C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC000823689576 587236350 /nfs/dbraw/zinc/23/63/50/587236350.db2.gz LAIIHDOEUHQBEJ-UHFFFAOYSA-N 2 0 225.336 0.293 20 0 BCADRP Cc1ncc(CN2CCC3(C2)OCCO3)n1C ZINC000824702598 587283701 /nfs/dbraw/zinc/28/37/01/587283701.db2.gz QOGCETVQUKTUGP-UHFFFAOYSA-N 2 0 237.303 0.677 20 0 BCADRP CC(C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[NH2+]1 ZINC000824778602 587286810 /nfs/dbraw/zinc/28/68/10/587286810.db2.gz LGRMQMQNAPWEMM-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)[NH+](C)C ZINC000827219960 587373540 /nfs/dbraw/zinc/37/35/40/587373540.db2.gz PYUZKCOZYUDOLQ-GRYCIOLGSA-N 2 0 239.363 0.489 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000827777018 587401553 /nfs/dbraw/zinc/40/15/53/587401553.db2.gz KJTQISWFHXUCIG-PWSUYJOCSA-N 2 0 245.342 0.535 20 0 BCADRP [NH3+]CCCCCCNC(=O)NCC[NH2+]C1CC1 ZINC000831178731 587589593 /nfs/dbraw/zinc/58/95/93/587589593.db2.gz XJIVMORPPXONLJ-UHFFFAOYSA-N 2 0 242.367 0.557 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NCCCCCC[NH3+] ZINC000831191501 587590805 /nfs/dbraw/zinc/59/08/05/587590805.db2.gz NPHJDWMDUVGZNT-LLVKDONJSA-N 2 0 244.383 0.803 20 0 BCADRP C[NH+](C)CCNC(=O)NCCCCCC[NH3+] ZINC000831268247 587594728 /nfs/dbraw/zinc/59/47/28/587594728.db2.gz WHYZYZWBIJNLPL-UHFFFAOYSA-N 2 0 230.356 0.366 20 0 BCADRP [NH3+]CCCCCCNC(=O)N1CCC[C@H]([NH3+])C1 ZINC000831291677 587596040 /nfs/dbraw/zinc/59/60/40/587596040.db2.gz PBTYQXRUMPMOAO-NSHDSACASA-N 2 0 242.367 0.638 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)NCCCCCC[NH3+])C1 ZINC000831290942 587596062 /nfs/dbraw/zinc/59/60/62/587596062.db2.gz IDQKSLGIRZLOLP-LLVKDONJSA-N 2 0 242.367 0.509 20 0 BCADRP [NH3+]CCCCCCC(=O)NCC1([NH3+])CCC1 ZINC000831546279 587618294 /nfs/dbraw/zinc/61/82/94/587618294.db2.gz RQMMWBBVQZWUTQ-UHFFFAOYSA-N 2 0 227.352 0.893 20 0 BCADRP [NH3+]CCCCCC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000831578273 587620574 /nfs/dbraw/zinc/62/05/74/587620574.db2.gz MCAYIDSDDOGTKD-CYBMUJFWSA-N 2 0 239.363 0.718 20 0 BCADRP CCO[C@H](CNC(=O)[C@@H](C)[NH+](C)C)C[NH+](C)C ZINC000831703433 587628253 /nfs/dbraw/zinc/62/82/53/587628253.db2.gz UDKDCMFCLLTYIL-GHMZBOCLSA-N 2 0 245.367 0.019 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)C1CC1 ZINC000831860499 587634878 /nfs/dbraw/zinc/63/48/78/587634878.db2.gz VAOUFIKLVUJUOP-JQWIXIFHSA-N 2 0 243.326 0.144 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000831971461 587640773 /nfs/dbraw/zinc/64/07/73/587640773.db2.gz XXJNZRAGARWUHD-CMPLNLGQSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000831970264 587640815 /nfs/dbraw/zinc/64/08/15/587640815.db2.gz BDRQPXUHIKFDKW-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831970622 587640937 /nfs/dbraw/zinc/64/09/37/587640937.db2.gz JUKMDHLZUBUPPY-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831970630 587640946 /nfs/dbraw/zinc/64/09/46/587640946.db2.gz JWUNCSYGRLJUCV-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000832223718 587651083 /nfs/dbraw/zinc/65/10/83/587651083.db2.gz SLWAYTVTOKBMGD-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])c1 ZINC000832223359 587651336 /nfs/dbraw/zinc/65/13/36/587651336.db2.gz OHGFTMBJEZSCCQ-ZJUUUORDSA-N 2 0 205.261 0.431 20 0 BCADRP [NH3+][C@@H](CC(=O)NC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000832447187 587660409 /nfs/dbraw/zinc/66/04/09/587660409.db2.gz VXMAZBGNIIWUNW-KOLCDFICSA-N 2 0 225.336 0.230 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000832458420 587661379 /nfs/dbraw/zinc/66/13/79/587661379.db2.gz GTRTWGXZZOPTHC-UWVGGRQHSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000832497429 587663367 /nfs/dbraw/zinc/66/33/67/587663367.db2.gz DCRUCSFNRMHZTH-WCQGTBRESA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+][C@H](CC(=O)NCC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000832630646 587670922 /nfs/dbraw/zinc/67/09/22/587670922.db2.gz UBIFJDSKXRHYNH-GXSJLCMTSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000832750138 587684044 /nfs/dbraw/zinc/68/40/44/587684044.db2.gz KPJRSHQQOSGWOO-MVWJERBFSA-N 2 0 239.363 0.700 20 0 BCADRP CN(C(=O)C[C@@H]([NH3+])C1CC1)C1CCC([NH3+])CC1 ZINC000832829023 587692728 /nfs/dbraw/zinc/69/27/28/587692728.db2.gz OBJXETNBFCYRKP-HTAVTVPLSA-N 2 0 239.363 0.842 20 0 BCADRP CN(C(=O)CC(C)(C)[NH3+])C1CCC([NH3+])CC1 ZINC000832828740 587692858 /nfs/dbraw/zinc/69/28/58/587692858.db2.gz LEXIJGYDYCZCNW-UHFFFAOYSA-N 2 0 227.352 0.842 20 0 BCADRP [NH3+]Cc1cccc(C(=O)NC[C@H]([NH3+])C2CC2)c1 ZINC000834404743 587754540 /nfs/dbraw/zinc/75/45/40/587754540.db2.gz GCFMMILFZFWWBB-LBPRGKRZSA-N 2 0 233.315 0.612 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000834460409 587755611 /nfs/dbraw/zinc/75/56/11/587755611.db2.gz MNKSLTCRKSVIHJ-KGYLQXTDSA-N 2 0 247.342 0.882 20 0 BCADRP [NH3+][C@H](CC(=O)N[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000834582182 587760006 /nfs/dbraw/zinc/76/00/06/587760006.db2.gz FLSKMLUJWCETEI-GHMZBOCLSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000834608628 587760478 /nfs/dbraw/zinc/76/04/78/587760478.db2.gz HZCOIIQNDBMWFX-GARJFASQSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000834608653 587760516 /nfs/dbraw/zinc/76/05/16/587760516.db2.gz LUSBHHXBDUKMBD-GXSJLCMTSA-N 2 0 221.304 0.540 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000834608643 587760597 /nfs/dbraw/zinc/76/05/97/587760597.db2.gz KXGGNGCBFNLNNE-ONGXEEELSA-N 2 0 221.304 0.192 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000834623085 587761604 /nfs/dbraw/zinc/76/16/04/587761604.db2.gz SDSSOTIBTMUJGR-JOYOIKCWSA-N 2 0 233.315 0.337 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000834703518 587764699 /nfs/dbraw/zinc/76/46/99/587764699.db2.gz MHLWPHLKFZDGSB-CMPLNLGQSA-N 2 0 243.326 0.275 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000834703521 587764719 /nfs/dbraw/zinc/76/47/19/587764719.db2.gz MHLWPHLKFZDGSB-ZYHUDNBSSA-N 2 0 243.326 0.275 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000834791296 587767244 /nfs/dbraw/zinc/76/72/44/587767244.db2.gz GRLFLYUYLRFALL-KOLCDFICSA-N 2 0 237.347 0.385 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000834813313 587767439 /nfs/dbraw/zinc/76/74/39/587767439.db2.gz KHOLOWNXXGZRNB-WCBMZHEXSA-N 2 0 213.325 0.357 20 0 BCADRP CN(C(=O)c1cccc(C[NH3+])c1)C1CC([NH3+])C1 ZINC000834834782 587768128 /nfs/dbraw/zinc/76/81/28/587768128.db2.gz MBEPKLFDTIFYJT-UHFFFAOYSA-N 2 0 233.315 0.707 20 0 BCADRP [NH3+][C@@H](CC(=O)N[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000834846307 587768583 /nfs/dbraw/zinc/76/85/83/587768583.db2.gz RUTOHYDGCIZHCU-DTWKUNHWSA-N 2 0 247.289 0.227 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000834862708 587768693 /nfs/dbraw/zinc/76/86/93/587768693.db2.gz XAIVDCSLRDIJRM-MNOVXSKESA-N 2 0 227.352 0.749 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1C ZINC000834861708 587768758 /nfs/dbraw/zinc/76/87/58/587768758.db2.gz MCIHSMIRYIHUEE-KKOKHZNYSA-N 2 0 237.347 0.147 20 0 BCADRP [NH3+]CCCCCC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000834862117 587768871 /nfs/dbraw/zinc/76/88/71/587768871.db2.gz QDPNAAXYDCJPBD-NSHDSACASA-N 2 0 243.351 0.000 20 0 BCADRP [NH3+]CCc1ccc(CN[C@H]2CC[NH2+]C2)cc1 ZINC000841035304 587937294 /nfs/dbraw/zinc/93/72/94/587937294.db2.gz ZNGQNDCGYKNQFH-ZDUSSCGKSA-N 3 0 219.332 0.639 20 0 BCADRP CC[N@H+](CCNC(=O)NC[C@H](C)[NH3+])C(C)C ZINC000841777299 587974797 /nfs/dbraw/zinc/97/47/97/587974797.db2.gz YYPGHQOCJFBLCK-JTQLQIEISA-N 2 0 230.356 0.363 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000841846199 587977208 /nfs/dbraw/zinc/97/72/08/587977208.db2.gz KTXKVVJPVLPEMO-WCQGTBRESA-N 2 0 239.363 0.842 20 0 BCADRP [NH3+][C@@H](CC(=O)NC[C@H]1CCCC[NH2+]1)C1CC1 ZINC000841845520 587977227 /nfs/dbraw/zinc/97/72/27/587977227.db2.gz BOVANDMRRUTOSH-MNOVXSKESA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@H]([NH3+])C1CC1 ZINC000841848305 587977311 /nfs/dbraw/zinc/97/73/11/587977311.db2.gz BYUNFTMATYUNST-QWRGUYRKSA-N 2 0 227.352 0.603 20 0 BCADRP CCCN(C(=O)C[C@H]([NH3+])C1CC1)[C@@H]1CC[NH2+]C1 ZINC000841847696 587977460 /nfs/dbraw/zinc/97/74/60/587977460.db2.gz HOPCNKWWJWJQEY-NEPJUHHUSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+][C@@H](CC(=O)NC[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000841845521 587977495 /nfs/dbraw/zinc/97/74/95/587977495.db2.gz BOVANDMRRUTOSH-QWRGUYRKSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)c1cccc(C[NH3+])c1 ZINC000841848550 587977677 /nfs/dbraw/zinc/97/76/77/587977677.db2.gz LNGVYODBAGUQDE-LBPRGKRZSA-N 2 0 235.331 0.858 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)CCCCC[NH3+] ZINC000841848893 587977821 /nfs/dbraw/zinc/97/78/21/587977821.db2.gz IWYLFOMMXUVAFN-LBPRGKRZSA-N 2 0 229.368 0.995 20 0 BCADRP CN(C(=O)C[C@@H]([NH3+])C1CC1)C1CC([NH3+])C1 ZINC000841852484 587978179 /nfs/dbraw/zinc/97/81/79/587978179.db2.gz KZWCQAGHUDROCU-UDNWOFFPSA-N 2 0 211.309 0.062 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000841851214 587978351 /nfs/dbraw/zinc/97/83/51/587978351.db2.gz GWVMFFFHQUNLRB-WCABBAIRSA-N 2 0 229.299 0.074 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000841852317 587978380 /nfs/dbraw/zinc/97/83/80/587978380.db2.gz ZFWNJAOFQIWBBV-SRVKXCTJSA-N 2 0 239.363 0.905 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000841850651 587978590 /nfs/dbraw/zinc/97/85/90/587978590.db2.gz ASOFKDMBIAXGEC-DVVUODLYSA-N 2 0 225.336 0.228 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842512232 588030412 /nfs/dbraw/zinc/03/04/12/588030412.db2.gz ITBWPXXDIGUFJH-LBPRGKRZSA-N 2 0 225.336 0.341 20 0 BCADRP CN(CC[NH3+])C(=O)c1cccc(C[NH3+])c1 ZINC000842510268 588031752 /nfs/dbraw/zinc/03/17/52/588031752.db2.gz PXHDMFREJZCTII-UHFFFAOYSA-N 2 0 207.277 0.176 20 0 BCADRP O=C(N1CC[C@]2(CCC[NH2+]2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000842514531 588032113 /nfs/dbraw/zinc/03/21/13/588032113.db2.gz XOEFKZLCVLNZKG-VXGBXAGGSA-N 2 0 241.310 0.043 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842512743 588032173 /nfs/dbraw/zinc/03/21/73/588032173.db2.gz MTZJPTCNHPORAF-UBHSHLNASA-N 2 0 249.358 0.341 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842511564 588032276 /nfs/dbraw/zinc/03/22/76/588032276.db2.gz DIJCQZXNDLZXLV-CYBMUJFWSA-N 2 0 239.363 0.729 20 0 BCADRP O=C(N1CC[C@]2(CCC[NH2+]2)C1)[C@]1(F)CC[NH2+]C1 ZINC000842514528 588032309 /nfs/dbraw/zinc/03/23/09/588032309.db2.gz XOEFKZLCVLNZKG-NEPJUHHUSA-N 2 0 241.310 0.043 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)co1 ZINC000842511932 588032321 /nfs/dbraw/zinc/03/23/21/588032321.db2.gz HAGPYUODLIMGAT-CYBMUJFWSA-N 2 0 249.314 0.706 20 0 BCADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842512744 588032364 /nfs/dbraw/zinc/03/23/64/588032364.db2.gz MTZJPTCNHPORAF-YUTCNCBUSA-N 2 0 249.358 0.341 20 0 BCADRP COc1ncncc1C[NH2+]CCCC[NH+](C)C ZINC000842673081 588051490 /nfs/dbraw/zinc/05/14/90/588051490.db2.gz IVFGFRSNIHPFOA-UHFFFAOYSA-N 2 0 238.335 0.917 20 0 BCADRP FC(F)[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000843119609 588083781 /nfs/dbraw/zinc/08/37/81/588083781.db2.gz VKQBAYKQONGYHC-SNVBAGLBSA-N 2 0 234.290 0.952 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843326739 588099974 /nfs/dbraw/zinc/09/99/74/588099974.db2.gz RLIIRYMGHXSXER-NSHDSACASA-N 2 0 249.358 0.931 20 0 BCADRP CCCOC(=O)[C@H](C)N1CC[C@@](C)(C[NH3+])C1 ZINC000843381703 588105538 /nfs/dbraw/zinc/10/55/38/588105538.db2.gz GOTMLAUEFSYNQD-JQWIXIFHSA-N 2 0 228.336 0.999 20 0 BCADRP CC[NH2+]CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843452632 588112112 /nfs/dbraw/zinc/11/21/12/588112112.db2.gz VKMTYOFLLRVZHE-ZACCUICWSA-N 2 0 225.336 0.337 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000843469637 588113146 /nfs/dbraw/zinc/11/31/46/588113146.db2.gz TURFOHNDNJAJON-DCAQKATOSA-N 2 0 225.336 0.372 20 0 BCADRP CC[NH2+]CC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843480011 588113789 /nfs/dbraw/zinc/11/37/89/588113789.db2.gz JULXGWOSXHIVKK-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)CCCCC[NH3+])[C@H]1C ZINC000843474353 588114104 /nfs/dbraw/zinc/11/41/04/588114104.db2.gz YNJHVAZWNGKGDW-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843484814 588114411 /nfs/dbraw/zinc/11/44/11/588114411.db2.gz LWSCTUYPRNLSSS-NWDGAFQWSA-N 2 0 239.363 0.444 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000843481659 588114416 /nfs/dbraw/zinc/11/44/16/588114416.db2.gz LZNWZTLPHMBFPB-NSHDSACASA-N 2 0 231.315 0.322 20 0 BCADRP C[C@H]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000843498761 588116171 /nfs/dbraw/zinc/11/61/71/588116171.db2.gz SHNBZNYKLYMITM-SDDRHHMPSA-N 2 0 239.363 0.429 20 0 BCADRP [NH3+]CCCCCCNC(=O)C1([NH3+])CCCC1 ZINC000843505824 588117167 /nfs/dbraw/zinc/11/71/67/588117167.db2.gz NSLDYZOXQQJLDP-UHFFFAOYSA-N 2 0 227.352 0.893 20 0 BCADRP [NH3+]CCCCCCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000843505237 588117391 /nfs/dbraw/zinc/11/73/91/588117391.db2.gz FJJASQUGWRFGEH-LLVKDONJSA-N 2 0 227.352 0.764 20 0 BCADRP [NH3+]CCCCCCNC(=O)c1ccc(C[NH3+])o1 ZINC000843505257 588117479 /nfs/dbraw/zinc/11/74/79/588117479.db2.gz FRZISMFEKAUWRX-UHFFFAOYSA-N 2 0 239.319 0.987 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCCCCCC[NH3+] ZINC000843512452 588117619 /nfs/dbraw/zinc/11/76/19/588117619.db2.gz LZNGQXGELBUXTL-JTQLQIEISA-N 2 0 215.341 0.749 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000844170811 588171442 /nfs/dbraw/zinc/17/14/42/588171442.db2.gz DHHCTTZPHOKXNB-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000844162732 588171538 /nfs/dbraw/zinc/17/15/38/588171538.db2.gz GOQITIXFANHACW-UWVGGRQHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@H](C[NH3+])C1)[NH+](C)C ZINC000844162735 588171635 /nfs/dbraw/zinc/17/16/35/588171635.db2.gz GOQITIXFANHACW-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000844169911 588171725 /nfs/dbraw/zinc/17/17/25/588171725.db2.gz DUNNBYDHNCZONN-LLVKDONJSA-N 2 0 231.315 0.146 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)C[NH2+]CC ZINC000844178700 588172425 /nfs/dbraw/zinc/17/24/25/588172425.db2.gz INKQETZJVLNOOK-UHFFFAOYSA-N 2 0 215.341 0.444 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000844180639 588172569 /nfs/dbraw/zinc/17/25/69/588172569.db2.gz IRXRCDCFDWIPRU-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000846172338 588259292 /nfs/dbraw/zinc/25/92/92/588259292.db2.gz KPFYXBODENLZAZ-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP CCO[C@@H]1C[N@H+](CCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000846225453 588261628 /nfs/dbraw/zinc/26/16/28/588261628.db2.gz BQZWSQOXXOYQPD-CHWSQXEVSA-N 3 0 243.395 0.801 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)c1ccccc1CC[NH3+] ZINC000846675325 588281926 /nfs/dbraw/zinc/28/19/26/588281926.db2.gz QDNPHUVEYCKXMW-VIFPVBQESA-N 2 0 221.304 0.265 20 0 BCADRP CC[NH2+]CC(=O)NCCC1CC[NH2+]CC1 ZINC000846698930 588282323 /nfs/dbraw/zinc/28/23/23/588282323.db2.gz DCLSXCXHLRBWFC-UHFFFAOYSA-N 2 0 213.325 0.102 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCC1(C[NH3+])CC1 ZINC000846692869 588283216 /nfs/dbraw/zinc/28/32/16/588283216.db2.gz ZUWBJKHKQMMAKI-SECBINFHSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)CC(F)(F)CN ZINC000846718737 588283739 /nfs/dbraw/zinc/28/37/39/588283739.db2.gz YFAGULSVUSQJKO-VIFPVBQESA-N 2 0 249.305 0.571 20 0 BCADRP C[NH2+][C@@H](C)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000848393910 588376237 /nfs/dbraw/zinc/37/62/37/588376237.db2.gz CQXMHPZJDQUOBG-VIFPVBQESA-N 2 0 237.303 0.571 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848431848 588384397 /nfs/dbraw/zinc/38/43/97/588384397.db2.gz PKPHDAIEOOYUKA-JBLDHEPKSA-N 2 0 239.363 0.583 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000848438526 588385091 /nfs/dbraw/zinc/38/50/91/588385091.db2.gz VDTRUGHDHDIVFT-SSDOTTSWSA-N 2 0 241.257 0.511 20 0 BCADRP Cn1ncc(CCC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000848720088 588408684 /nfs/dbraw/zinc/40/86/84/588408684.db2.gz JIBURTSHDGXDAR-GHMZBOCLSA-N 2 0 237.351 0.607 20 0 BCADRP CC[NH+](CC)CCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000848980558 588423078 /nfs/dbraw/zinc/42/30/78/588423078.db2.gz BSVJIWISAWVKHK-NSHDSACASA-N 2 0 242.367 0.573 20 0 BCADRP CN(C)C(=[NH2+])NCC1([NH+](C)C)CCCC1 ZINC000848981255 588423628 /nfs/dbraw/zinc/42/36/28/588423628.db2.gz LUFZEECDCCOAAZ-UHFFFAOYSA-N 2 0 212.341 0.947 20 0 BCADRP COCCNC(=[NH2+])NCCC[NH+]1CCCC1 ZINC000848982554 588423961 /nfs/dbraw/zinc/42/39/61/588423961.db2.gz ACHHCZPWOJTEKT-UHFFFAOYSA-N 2 0 228.340 0.233 20 0 BCADRP COC[C@@H](C)NC(=[NH2+])NC[C@H](C)[NH+]1CCCC1 ZINC000848986538 588425873 /nfs/dbraw/zinc/42/58/73/588425873.db2.gz CYCYAPQVLHVEOA-MNOVXSKESA-N 2 0 242.367 0.620 20 0 BCADRP CCCNC(=[NH2+])NCCC[NH+]1CCC(O)CC1 ZINC000848987956 588426261 /nfs/dbraw/zinc/42/62/61/588426261.db2.gz SDKAEWJKLPYKPU-UHFFFAOYSA-N 2 0 242.367 0.357 20 0 BCADRP C[NH+](C)CCCCNC(=[NH2+])N1CCOCC1 ZINC000848990030 588426731 /nfs/dbraw/zinc/42/67/31/588426731.db2.gz SYVJZLFGXAVMGF-UHFFFAOYSA-N 2 0 228.340 0.185 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000848992669 588427734 /nfs/dbraw/zinc/42/77/34/588427734.db2.gz PGTSJMKGLVQOTG-SECBINFHSA-N 2 0 210.325 0.605 20 0 BCADRP C[C@H](CNC(=[NH2+])N(C)C)[NH+]1CCCCC1 ZINC000848995568 588428591 /nfs/dbraw/zinc/42/85/91/588428591.db2.gz RFHSPCSYSPWELT-SNVBAGLBSA-N 2 0 212.341 0.947 20 0 BCADRP CC[NH+]1CCC(CNC(=[NH2+])NCCOC)CC1 ZINC000848996233 588429233 /nfs/dbraw/zinc/42/92/33/588429233.db2.gz OAWULLVODNVPEP-UHFFFAOYSA-N 2 0 242.367 0.479 20 0 BCADRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCOC)C1 ZINC000848997506 588429605 /nfs/dbraw/zinc/42/96/05/588429605.db2.gz MRRDMZPKYGNNLQ-NSHDSACASA-N 2 0 242.367 0.479 20 0 BCADRP CC(C)[N@H+](C)CCNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000849001011 588430881 /nfs/dbraw/zinc/43/08/81/588430881.db2.gz OWHFHKSHLXPNGU-LLVKDONJSA-N 2 0 242.367 0.572 20 0 BCADRP C[C@H](CNC(=[NH2+])N1CCC1)[N@H+](C)C1CC1 ZINC000849001568 588431022 /nfs/dbraw/zinc/43/10/22/588431022.db2.gz CCDHWYIMALNRSX-SECBINFHSA-N 2 0 210.325 0.699 20 0 BCADRP CCCNC(=[NH2+])NCC[N@@H+]1CC[C@H](C)C1 ZINC000849004585 588431808 /nfs/dbraw/zinc/43/18/08/588431808.db2.gz QBNPXVYTPNBLCN-JTQLQIEISA-N 2 0 212.341 0.852 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCC2)C1 ZINC000849005406 588431997 /nfs/dbraw/zinc/43/19/97/588431997.db2.gz QQRVZRPOPOJTLU-JTQLQIEISA-N 2 0 210.325 0.558 20 0 BCADRP CCO[C@H](CC[NH+](C)C)CNC1=[NH+]C[C@H](C)N1 ZINC000849011976 588435348 /nfs/dbraw/zinc/43/53/48/588435348.db2.gz AWPSBTBIYIFJBE-WDEREUQCSA-N 2 0 242.367 0.281 20 0 BCADRP CCO[C@H](CC[NH+](C)C)CNC1=[NH+]CCN1C ZINC000849012191 588435437 /nfs/dbraw/zinc/43/54/37/588435437.db2.gz QYQKNXLEWANKHA-LLVKDONJSA-N 2 0 242.367 0.234 20 0 BCADRP COC1CC[NH+](CCNC(=[NH2+])NC2CC2)CC1 ZINC000849011808 588435530 /nfs/dbraw/zinc/43/55/30/588435530.db2.gz MBICLTSASKKZOR-UHFFFAOYSA-N 2 0 240.351 0.374 20 0 BCADRP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])N2CCCCC2)C1 ZINC000849019075 588438126 /nfs/dbraw/zinc/43/81/26/588438126.db2.gz GMVCRKHBGXGYQF-GFCCVEGCSA-N 2 0 240.351 0.063 20 0 BCADRP C[C@@H]1C[N@H+](CCCNC(=[NH2+])N(C)C)CCCO1 ZINC000849022748 588439185 /nfs/dbraw/zinc/43/91/85/588439185.db2.gz VQUNBPBKOQARMS-LLVKDONJSA-N 2 0 242.367 0.573 20 0 BCADRP C[C@@H](CNC(=[NH2+])N(C)C1CC1)C[NH+](C)C ZINC000849030735 588442853 /nfs/dbraw/zinc/44/28/53/588442853.db2.gz VMCYWDLWELIFHD-VIFPVBQESA-N 2 0 212.341 0.803 20 0 BCADRP CC[NH+]1CCC([NH2+]CCN(C)OC)CC1 ZINC000850480312 588551180 /nfs/dbraw/zinc/55/11/80/588551180.db2.gz PEHSRLFBIJXXNJ-UHFFFAOYSA-N 2 0 215.341 0.554 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH3+])C1 ZINC000851663321 588613880 /nfs/dbraw/zinc/61/38/80/588613880.db2.gz APCMFEGNZWIHBA-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP CO[C@@H]1CC[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000851732267 588619506 /nfs/dbraw/zinc/61/95/06/588619506.db2.gz NFNFBJBVVWKHOP-FIQHERPVSA-N 2 0 210.321 0.705 20 0 BCADRP CC1(C)OC[C@H](CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000851732060 588619640 /nfs/dbraw/zinc/61/96/40/588619640.db2.gz IJIOPNDIZDYLJZ-TUAOUCFPSA-N 2 0 240.347 0.679 20 0 BCADRP [NH3+]CC1CC[NH+](CCOC(F)F)CC1 ZINC000852743570 588698369 /nfs/dbraw/zinc/69/83/69/588698369.db2.gz FSDJIJGZGDMUIR-UHFFFAOYSA-N 2 0 208.252 0.896 20 0 BCADRP CN1CCC[C@H]([N@@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000852743535 588698645 /nfs/dbraw/zinc/69/86/45/588698645.db2.gz DYJWCSKOXSNWJX-MNOVXSKESA-N 2 0 225.336 0.278 20 0 BCADRP O=C1CCC2=C(CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)N1 ZINC000852754159 588700409 /nfs/dbraw/zinc/70/04/09/588700409.db2.gz QPXZZFBGAKFPOF-SNVBAGLBSA-N 2 0 235.331 0.466 20 0 BCADRP O=C1OCCN1[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000852755219 588700580 /nfs/dbraw/zinc/70/05/80/588700580.db2.gz HVQWULWAYGWONE-GHMZBOCLSA-N 2 0 239.319 0.122 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N[C@@H]1CCC[NH2+]C1 ZINC000852792456 588702926 /nfs/dbraw/zinc/70/29/26/588702926.db2.gz WQKZMLFCLVBDQB-LLVKDONJSA-N 2 0 223.320 0.164 20 0 BCADRP [NH3+]CC1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852791947 588703089 /nfs/dbraw/zinc/70/30/89/588703089.db2.gz NWVQSVZYIJNMJK-UHFFFAOYSA-N 2 0 237.347 0.494 20 0 BCADRP C[C@@H]1CN(C(=O)C=C2CC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC000852797487 588703635 /nfs/dbraw/zinc/70/36/35/588703635.db2.gz UISUNSSAKPFWBI-GHMZBOCLSA-N 2 0 237.347 0.505 20 0 BCADRP CN(C(=O)[C@H]1C[C@H]([NH3+])C1)C1CCC([NH3+])CC1 ZINC000852797826 588703770 /nfs/dbraw/zinc/70/37/70/588703770.db2.gz BWKMFLAQCYOWOT-RSIPAPEOSA-N 2 0 225.336 0.452 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C=C1CC[NH2+]CC1 ZINC000852797395 588703844 /nfs/dbraw/zinc/70/38/44/588703844.db2.gz QXBPWNRJJVSYTM-UHFFFAOYSA-N 2 0 239.363 0.930 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C=C1CC[NH2+]CC1 ZINC000852797816 588703888 /nfs/dbraw/zinc/70/38/88/588703888.db2.gz BUKGPTNKQRSUMC-GFCCVEGCSA-N 2 0 239.363 0.930 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852798657 588704036 /nfs/dbraw/zinc/70/40/36/588704036.db2.gz NKMCZFADEDMGON-GFCCVEGCSA-N 2 0 237.347 0.507 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000852823232 588705648 /nfs/dbraw/zinc/70/56/48/588705648.db2.gz CVWBHSXDALDEPC-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1[NH2+]CC12CCCC2 ZINC000852825361 588706036 /nfs/dbraw/zinc/70/60/36/588706036.db2.gz OZCPCBMORMTXEJ-WDEREUQCSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2[NH2+]CC23CCCC3)C1 ZINC000852826316 588706148 /nfs/dbraw/zinc/70/61/48/588706148.db2.gz STDLHJMPZAUEPL-QWRGUYRKSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCC1([NH3+])CCCC1 ZINC000852851840 588708284 /nfs/dbraw/zinc/70/82/84/588708284.db2.gz JTYVYJATHUEAEX-SECBINFHSA-N 2 0 225.336 0.515 20 0 BCADRP [NH3+]Cc1cccc(C(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000852866434 588709540 /nfs/dbraw/zinc/70/95/40/588709540.db2.gz XDFFVUYITPEDJX-UHFFFAOYSA-N 2 0 245.326 0.627 20 0 BCADRP [NH3+][C@@H](CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C1CC1 ZINC000852869581 588709669 /nfs/dbraw/zinc/70/96/69/588709669.db2.gz IAOJCFTZWCRPQW-KXUCPTDWSA-N 2 0 229.299 0.012 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000852873778 588709777 /nfs/dbraw/zinc/70/97/77/588709777.db2.gz CZIXMUKQVNYPFH-ZDUSSCGKSA-N 2 0 249.358 0.649 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852880426 588709943 /nfs/dbraw/zinc/70/99/43/588709943.db2.gz MYKJRMNKYJGOIE-ONGXEEELSA-N 2 0 223.320 0.244 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000852875386 588710178 /nfs/dbraw/zinc/71/01/78/588710178.db2.gz IZOKBKCBKUYFLX-CQSZACIVSA-N 2 0 249.358 0.508 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852882999 588711147 /nfs/dbraw/zinc/71/11/47/588711147.db2.gz UQSJDARTDLOKJH-VXGBXAGGSA-N 2 0 237.347 0.540 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C=C1CC[NH2+]CC1 ZINC000852891470 588711431 /nfs/dbraw/zinc/71/14/31/588711431.db2.gz RFVMUUQJBVISRZ-NSHDSACASA-N 2 0 239.363 0.786 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)C=C1CC[NH2+]CC1 ZINC000852892483 588711668 /nfs/dbraw/zinc/71/16/68/588711668.db2.gz HDPASASIKGQVGX-VXGBXAGGSA-N 2 0 237.347 0.682 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C=C1CC[NH2+]CC1 ZINC000852892887 588711750 /nfs/dbraw/zinc/71/17/50/588711750.db2.gz PCVLVRSDBSOZMO-UHFFFAOYSA-N 2 0 225.336 0.364 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C=C1CC[NH2+]CC1 ZINC000852894729 588712152 /nfs/dbraw/zinc/71/21/52/588712152.db2.gz YDOOBNYNBVDSQT-UWVGGRQHSA-N 2 0 225.336 0.538 20 0 BCADRP CC[NH2+]CC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000852918161 588713494 /nfs/dbraw/zinc/71/34/94/588713494.db2.gz XVGYIHIJKUIYEH-SECBINFHSA-N 2 0 201.314 0.086 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000861591898 589169254 /nfs/dbraw/zinc/16/92/54/589169254.db2.gz BYIHQLLKWXGAEH-DCAQKATOSA-N 2 0 242.367 0.458 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861641129 589172113 /nfs/dbraw/zinc/17/21/13/589172113.db2.gz PPSPHAVZXFOYKD-VIFPVBQESA-N 2 0 230.356 0.493 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)NCC1([NH3+])CCCCC1 ZINC000861640899 589172201 /nfs/dbraw/zinc/17/22/01/589172201.db2.gz WFFBXBHXHUYCJU-JTQLQIEISA-N 2 0 242.367 0.637 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000861638613 589172246 /nfs/dbraw/zinc/17/22/46/589172246.db2.gz DVEKBUDOAKMSJL-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000861643551 589172467 /nfs/dbraw/zinc/17/24/67/589172467.db2.gz HNTCCRQDYNIGSP-NXEZZACHSA-N 2 0 230.356 0.493 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000861645682 589172937 /nfs/dbraw/zinc/17/29/37/589172937.db2.gz IHMYJKXSKKZGRS-AEJSXWLSSA-N 2 0 228.340 0.102 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000861653580 589173163 /nfs/dbraw/zinc/17/31/63/589173163.db2.gz CREGMUXPUPVNMP-VHSXEESVSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000861703877 589175375 /nfs/dbraw/zinc/17/53/75/589175375.db2.gz VTYONBKHVBFUCS-HBNTYKKESA-N 2 0 240.351 0.117 20 0 BCADRP COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)C1 ZINC000863540998 589296612 /nfs/dbraw/zinc/29/66/12/589296612.db2.gz FNZPWGSLWGHBFP-GZMMTYOYSA-N 2 0 224.304 0.446 20 0 BCADRP CON(C)C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000863545758 589297640 /nfs/dbraw/zinc/29/76/40/589297640.db2.gz BCTFFSSCYADWBA-IVZWLZJFSA-N 2 0 229.324 0.254 20 0 BCADRP CON(C)C(=O)[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000863546008 589297938 /nfs/dbraw/zinc/29/79/38/589297938.db2.gz COBKGIWAOMRQOB-ZJUUUORDSA-N 2 0 231.340 0.502 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000863544505 589298053 /nfs/dbraw/zinc/29/80/53/589298053.db2.gz WDWMGJYOKVQYMX-LLVKDONJSA-N 2 0 238.335 0.613 20 0 BCADRP CNC(=O)c1cccc(CN(C)C[C@@H](C)[NH3+])c1 ZINC000863567559 589300315 /nfs/dbraw/zinc/30/03/15/589300315.db2.gz DPXGYMQYMCBVOW-SNVBAGLBSA-N 2 0 235.331 0.825 20 0 BCADRP CC[C@@H](C(=O)N(C)CC[NH2+]C)[NH+](C)C ZINC000863585285 589302110 /nfs/dbraw/zinc/30/21/10/589302110.db2.gz UMWCCCDJPVEPQQ-VIFPVBQESA-N 2 0 201.314 0.004 20 0 BCADRP CC1(NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC[NH2+]CC1 ZINC000863972984 589331258 /nfs/dbraw/zinc/33/12/58/589331258.db2.gz ZASVTDAHHCTRPV-PHIMTYICSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H]1C[C@H]1NC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000864452147 589365036 /nfs/dbraw/zinc/36/50/36/589365036.db2.gz MQSXYEQTPMPFFD-DTWKUNHWSA-N 2 0 212.341 0.849 20 0 BCADRP COCC[N@H+](C)CCCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864453719 589366147 /nfs/dbraw/zinc/36/61/47/589366147.db2.gz BCYOBBSABHOTLI-QWRGUYRKSA-N 2 0 242.367 0.477 20 0 BCADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000864455747 589366908 /nfs/dbraw/zinc/36/69/08/589366908.db2.gz BUFNZDZJZUFPJY-MWLCHTKSSA-N 2 0 224.352 0.851 20 0 BCADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 ZINC000864457266 589367326 /nfs/dbraw/zinc/36/73/26/589367326.db2.gz CCEUOIDUVOOVTN-VWYCJHECSA-N 2 0 224.352 0.851 20 0 BCADRP C[C@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)[N@H+](C)C1CC1 ZINC000864457386 589367332 /nfs/dbraw/zinc/36/73/32/589367332.db2.gz SCPURTPGBXFWBD-KKZNHRDASA-N 2 0 224.352 0.991 20 0 BCADRP C[C@H]1C[C@H]1NC(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1 ZINC000864456681 589367499 /nfs/dbraw/zinc/36/74/99/589367499.db2.gz JPSPENXDHGTUAN-OUAUKWLOSA-N 2 0 224.352 0.851 20 0 BCADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 ZINC000864457264 589367529 /nfs/dbraw/zinc/36/75/29/589367529.db2.gz CCEUOIDUVOOVTN-MXWKQRLJSA-N 2 0 224.352 0.851 20 0 BCADRP C[C@H]1C[C@@H]1NC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000864458577 589368441 /nfs/dbraw/zinc/36/84/41/589368441.db2.gz OBGPDBDRLNDOBH-IUCAKERBSA-N 2 0 212.341 0.897 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC(C)(C)O)C2)CO1 ZINC000865658978 589455036 /nfs/dbraw/zinc/45/50/36/589455036.db2.gz BNPXSIXQBBINFJ-GRYCIOLGSA-N 2 0 242.363 0.599 20 0 BCADRP CCN(C)C(=O)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000217384166 589470970 /nfs/dbraw/zinc/47/09/70/589470970.db2.gz FBQPWRPQAAEPBU-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP Cc1cc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)nc(N)[nH+]1 ZINC000866205541 589480279 /nfs/dbraw/zinc/48/02/79/589480279.db2.gz FLFPYNLMTHLZLE-QWRGUYRKSA-N 2 0 247.346 0.898 20 0 BCADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000866659504 589508042 /nfs/dbraw/zinc/50/80/42/589508042.db2.gz MNCCQHIUQCEIHX-WDEREUQCSA-N 2 0 235.335 0.436 20 0 BCADRP C[N@H+](CCc1ccc(C(N)=O)cc1)C1CC([NH3+])C1 ZINC000866665196 589509536 /nfs/dbraw/zinc/50/95/36/589509536.db2.gz DVSRPKASGHVYMY-UHFFFAOYSA-N 2 0 247.342 0.750 20 0 BCADRP [NH3+]CCCCCCCN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000866677782 589510773 /nfs/dbraw/zinc/51/07/73/589510773.db2.gz PZZXKDFXJSVQSM-RYUDHWBXSA-N 2 0 211.353 0.942 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866704016 589513604 /nfs/dbraw/zinc/51/36/04/589513604.db2.gz NUKIBUGMNUFISW-UTUOFQBUSA-N 2 0 244.404 0.642 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866704732 589513722 /nfs/dbraw/zinc/51/37/22/589513722.db2.gz XDOAQMJBUJKQSI-WDEREUQCSA-N 2 0 230.377 0.647 20 0 BCADRP CC1(C)C[C@H](O)C[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000866703656 589513791 /nfs/dbraw/zinc/51/37/91/589513791.db2.gz NNHFCYQDWODYMG-QWRGUYRKSA-N 2 0 212.337 0.689 20 0 BCADRP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000866706293 589514274 /nfs/dbraw/zinc/51/42/74/589514274.db2.gz HEASAFPCIXDBRH-MFKMUULPSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H](NC(=O)CC1([NH3+])CCC1)C1CC[NH2+]CC1 ZINC000868004821 589543405 /nfs/dbraw/zinc/54/34/05/589543405.db2.gz BBSIIAHBUPHJJZ-SNVBAGLBSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H](NC(=O)C[C@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000868000947 589543444 /nfs/dbraw/zinc/54/34/44/589543444.db2.gz JBHBFCTXMGBEPA-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](NC(=O)CC[NH2+]C1CC1)C1CC[NH2+]CC1 ZINC000868007184 589543877 /nfs/dbraw/zinc/54/38/77/589543877.db2.gz KLMRKXDNNVFTLJ-SNVBAGLBSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868013099 589544150 /nfs/dbraw/zinc/54/41/50/589544150.db2.gz NJWVNPVIUDBHDF-UWVGGRQHSA-N 2 0 227.352 0.346 20 0 BCADRP C[C@H](NC(=O)CC1(C[NH3+])CC1)C1CC[NH2+]CC1 ZINC000868013359 589544165 /nfs/dbraw/zinc/54/41/65/589544165.db2.gz DKKFAHIZFBGCON-JTQLQIEISA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)C1CC[NH2+]CC1 ZINC000868012997 589544170 /nfs/dbraw/zinc/54/41/70/589544170.db2.gz YKTLYZBJIZNANT-GXSJLCMTSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H](NC(=O)CC[NH2+]C1CC1)C1CC[NH2+]CC1 ZINC000868013630 589544342 /nfs/dbraw/zinc/54/43/42/589544342.db2.gz KLMRKXDNNVFTLJ-JTQLQIEISA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000868012517 589544480 /nfs/dbraw/zinc/54/44/80/589544480.db2.gz PCNILLVACQFQDC-CMPLNLGQSA-N 2 0 239.363 0.490 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000868036188 589545373 /nfs/dbraw/zinc/54/53/73/589545373.db2.gz UXWWMYMXCJTWPX-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000870852967 589691549 /nfs/dbraw/zinc/69/15/49/589691549.db2.gz PQAYMOXSVCUVJF-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000870872412 589693246 /nfs/dbraw/zinc/69/32/46/589693246.db2.gz UVENNRBTZBHIBE-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000870913477 589696716 /nfs/dbraw/zinc/69/67/16/589696716.db2.gz BVZPHBDGUBYVFQ-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000870913475 589696836 /nfs/dbraw/zinc/69/68/36/589696836.db2.gz BVZPHBDGUBYVFQ-GRYCIOLGSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000870931615 589697867 /nfs/dbraw/zinc/69/78/67/589697867.db2.gz YIHOWFBUZPMECI-OUAUKWLOSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000870933957 589697923 /nfs/dbraw/zinc/69/79/23/589697923.db2.gz BJZUKVYWABBQGW-OPRDCNLKSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000870933751 589697925 /nfs/dbraw/zinc/69/79/25/589697925.db2.gz VYZNZUJUPOUNJT-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP O=C(CC[NH2+]CC1CC1)N[C@H]1CCC[NH2+]C1 ZINC000870933436 589698046 /nfs/dbraw/zinc/69/80/46/589698046.db2.gz YNBRVYULRRPSNK-NSHDSACASA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000870933910 589698047 /nfs/dbraw/zinc/69/80/47/589698047.db2.gz ALZDMUTYQKMZIZ-GRYCIOLGSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]CC1CCN(C(=O)CC[NH2+]CC2CC2)CC1 ZINC000870932363 589698072 /nfs/dbraw/zinc/69/80/72/589698072.db2.gz FKTZXSZCZMCFFJ-UHFFFAOYSA-N 2 0 239.363 0.573 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000870934729 589698486 /nfs/dbraw/zinc/69/84/86/589698486.db2.gz FEOGMPPUUVTKPO-SRVKXCTJSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000870935671 589698540 /nfs/dbraw/zinc/69/85/40/589698540.db2.gz BBHPGCCUFCCGIK-OPRDCNLKSA-N 2 0 213.325 0.310 20 0 BCADRP C[NH2+]C1CCN(C(=O)CC[NH2+]CC2CC2)CC1 ZINC000870935677 589698555 /nfs/dbraw/zinc/69/85/55/589698555.db2.gz BDSXTASSMWFCPQ-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)CC[NH2+]CC1CC1 ZINC000870936914 589698665 /nfs/dbraw/zinc/69/86/65/589698665.db2.gz GJKCNVPLAPIALV-LLVKDONJSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870937273 589698678 /nfs/dbraw/zinc/69/86/78/589698678.db2.gz YJCGCVNJIOIYKO-OPRDCNLKSA-N 2 0 213.325 0.310 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870936952 589698699 /nfs/dbraw/zinc/69/86/99/589698699.db2.gz QUGFPAFZUYOFIN-AXFHLTTASA-N 2 0 227.352 0.603 20 0 BCADRP CN(C(=O)CC[NH2+]CC1CC1)[C@@H]1CC[NH2+]C1 ZINC000870937254 589698885 /nfs/dbraw/zinc/69/88/85/589698885.db2.gz XOGFSVFVOIPKOB-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)([NH3+])CNC(=O)CC[NH2+]CC1CC1 ZINC000870938181 589698907 /nfs/dbraw/zinc/69/89/07/589698907.db2.gz ZCUKOYCPSZGLPH-UHFFFAOYSA-N 2 0 213.325 0.230 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000870937923 589698938 /nfs/dbraw/zinc/69/89/38/589698938.db2.gz VGJZQIZQZBTQBB-GMTAPVOTSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870937823 589698941 /nfs/dbraw/zinc/69/89/41/589698941.db2.gz BIONNEGKKUWPGM-IVZWLZJFSA-N 2 0 213.325 0.215 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000870939753 589699185 /nfs/dbraw/zinc/69/91/85/589699185.db2.gz AQLWHGHDNGAZGP-PWSUYJOCSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[NH2+]1 ZINC000870941848 589699449 /nfs/dbraw/zinc/69/94/49/589699449.db2.gz BIAYSEOKLGPRDJ-HMUNZLOLSA-N 2 0 237.347 0.371 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870941585 589699642 /nfs/dbraw/zinc/69/96/42/589699642.db2.gz YZMJAELNUDJGJT-FBUUZDRASA-N 2 0 237.347 0.228 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[NH2+]1 ZINC000870941846 589699704 /nfs/dbraw/zinc/69/97/04/589699704.db2.gz BIAYSEOKLGPRDJ-FBUUZDRASA-N 2 0 237.347 0.371 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)C(F)F ZINC000870944107 589699842 /nfs/dbraw/zinc/69/98/42/589699842.db2.gz BJVKPIXOZGUERL-YIZRAAEISA-N 2 0 249.305 0.603 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)CC[NH2+]CC2CC2)CC[NH2+]1 ZINC000870942594 589699888 /nfs/dbraw/zinc/69/98/88/589699888.db2.gz QNKBJQUBFALQJA-JQWIXIFHSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000870943998 589699911 /nfs/dbraw/zinc/69/99/11/589699911.db2.gz ADIIITIWTVTSPE-WYUUTHIRSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H]1C[C@H](NC(=O)CC[NH2+]CC2CC2)CC[NH2+]1 ZINC000870942593 589700135 /nfs/dbraw/zinc/70/01/35/589700135.db2.gz QNKBJQUBFALQJA-CMPLNLGQSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870947191 589700252 /nfs/dbraw/zinc/70/02/52/589700252.db2.gz OWVPOOMULKNTEE-BBBLOLIVSA-N 2 0 213.325 0.357 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870947194 589700571 /nfs/dbraw/zinc/70/05/71/589700571.db2.gz OWVPOOMULKNTEE-OPRDCNLKSA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000870947915 589700880 /nfs/dbraw/zinc/70/08/80/589700880.db2.gz UVYSMCGUNJLYNY-MMWGEVLESA-N 2 0 243.326 0.320 20 0 BCADRP [NH3+]CC1(CCNC(=O)CC[NH2+]CC2CC2)CC1 ZINC000870949866 589700902 /nfs/dbraw/zinc/70/09/02/589700902.db2.gz SGEIIIJMUGTQDE-UHFFFAOYSA-N 2 0 239.363 0.621 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870951450 589701120 /nfs/dbraw/zinc/70/11/20/589701120.db2.gz AMAJQPAFWAPXEY-MGCOHNPYSA-N 2 0 227.352 0.700 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000870955654 589701310 /nfs/dbraw/zinc/70/13/10/589701310.db2.gz VWWUTHDYUJDDCD-XYPYZODXSA-N 2 0 239.363 0.892 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000870965431 589702387 /nfs/dbraw/zinc/70/23/87/589702387.db2.gz QDVLXBVGDQKHML-KLPPZKSPSA-N 2 0 233.315 0.612 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000870971536 589703209 /nfs/dbraw/zinc/70/32/09/589703209.db2.gz DCNAMEOYNSRQOQ-DCAQKATOSA-N 2 0 225.336 0.372 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870970840 589703217 /nfs/dbraw/zinc/70/32/17/589703217.db2.gz LZFIZBYEFBDOIA-MGCOHNPYSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@@H]1C[C@@H]([NH3+])C1 ZINC000870971596 589703293 /nfs/dbraw/zinc/70/32/93/589703293.db2.gz FMMRSASCPHBCFV-AVGNSLFASA-N 2 0 247.342 0.410 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870981485 589703321 /nfs/dbraw/zinc/70/33/21/589703321.db2.gz IXTCKXWOFKATSV-OUAUKWLOSA-N 2 0 225.336 0.276 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973587 589703981 /nfs/dbraw/zinc/70/39/81/589703981.db2.gz BCEICDBGGXPYKF-ZSBIGDGJSA-N 2 0 239.363 0.633 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)C[NH3+])CC[C@H]21 ZINC000870981561 589704471 /nfs/dbraw/zinc/70/44/71/589704471.db2.gz JKQKFEPAPUHXPJ-WDEREUQCSA-N 2 0 239.363 0.524 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH3+])CC[C@H]21 ZINC000870981585 589704683 /nfs/dbraw/zinc/70/46/83/589704683.db2.gz JMNYILXVKBHVBP-VXGBXAGGSA-N 2 0 239.363 0.668 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870981525 589704889 /nfs/dbraw/zinc/70/48/89/589704889.db2.gz JGKAZQOBRMKGBL-IJLUTSLNSA-N 2 0 239.363 0.522 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870982964 589705371 /nfs/dbraw/zinc/70/53/71/589705371.db2.gz QZOSNTHVKKVORR-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH3+])CC[C@@H]21 ZINC000870983625 589705527 /nfs/dbraw/zinc/70/55/27/589705527.db2.gz WYNDQZZZEHZDEV-UWVGGRQHSA-N 2 0 225.336 0.276 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870985684 589705803 /nfs/dbraw/zinc/70/58/03/589705803.db2.gz IPUHNGLGITVQSX-LLVKDONJSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870986110 589705990 /nfs/dbraw/zinc/70/59/90/589705990.db2.gz FJUHHOBFJMWDIZ-GXSJLCMTSA-N 2 0 227.352 0.474 20 0 BCADRP CC[C@H](C(=O)N[C@@H](C)C1CC[NH2+]CC1)[NH+](C)C ZINC000870986060 589705918 /nfs/dbraw/zinc/70/59/18/589705918.db2.gz DEOMRNFEXFBXRT-CMPLNLGQSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000870985970 589706045 /nfs/dbraw/zinc/70/60/45/589706045.db2.gz APPTWGVIMFDSHY-CABZTGNLSA-N 2 0 243.326 0.192 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870985539 589706348 /nfs/dbraw/zinc/70/63/48/589706348.db2.gz FQXKDLOUYLVATB-NXEZZACHSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)C1CC[NH2+]CC1 ZINC000870987595 589706722 /nfs/dbraw/zinc/70/67/22/589706722.db2.gz ODXYBUFKVKUNCV-CABZTGNLSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870987852 589706918 /nfs/dbraw/zinc/70/69/18/589706918.db2.gz UYRWTNSZSSPJIE-NSHDSACASA-N 2 0 241.379 0.879 20 0 BCADRP COCCN(C)C(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000871605888 589775242 /nfs/dbraw/zinc/77/52/42/589775242.db2.gz PORZCALMDOINJG-UHFFFAOYSA-N 2 0 240.351 0.351 20 0 BCADRP [NH3+]CCCCCC[NH+]1CCC(CO)(CO)CC1 ZINC000872145999 589883884 /nfs/dbraw/zinc/88/38/84/589883884.db2.gz BLDYDRRDKDIQNF-UHFFFAOYSA-N 2 0 244.379 0.572 20 0 BCADRP C[NH2+]CCCN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872153008 589884874 /nfs/dbraw/zinc/88/48/74/589884874.db2.gz XUZUGBHQCLYEPA-RKDXNWHRSA-N 2 0 239.285 0.665 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C[C@H]1CCC[NH2+]C1)C2 ZINC000872149464 589885323 /nfs/dbraw/zinc/88/53/23/589885323.db2.gz OLZNHYGNFDKNAX-RWMBFGLXSA-N 2 0 223.364 0.527 20 0 BCADRP [NH3+]CCCCCCC[N@@H+]1CCCNC(=O)C1 ZINC000872156986 589885373 /nfs/dbraw/zinc/88/53/73/589885373.db2.gz FYBKNPHPVFTOFO-UHFFFAOYSA-N 2 0 227.352 0.718 20 0 BCADRP [NH3+]CCC[N@@H+]1CCNC(=O)CC12CCC2 ZINC000872158141 589886325 /nfs/dbraw/zinc/88/63/25/589886325.db2.gz XEHVHVBUPWSNPI-UHFFFAOYSA-N 2 0 211.309 0.080 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000872154142 589886421 /nfs/dbraw/zinc/88/64/21/589886421.db2.gz OTVSLWQKAXMEAS-UONOGXRCSA-N 3 0 237.391 0.917 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000872258053 589901332 /nfs/dbraw/zinc/90/13/32/589901332.db2.gz ROKHLWSWGTZPJH-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H](C(=O)N1CC[NH2+]CCC1(C)C)[NH+](C)C ZINC000872299773 589902864 /nfs/dbraw/zinc/90/28/64/589902864.db2.gz BHBXCFWVKHKLTH-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP CC[NH2+]CC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872268565 589903300 /nfs/dbraw/zinc/90/33/00/589903300.db2.gz FDJNJDYNXZSMHM-JTQLQIEISA-N 2 0 227.352 0.490 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)CC1([NH3+])CCC1 ZINC000872289795 589906355 /nfs/dbraw/zinc/90/63/55/589906355.db2.gz FDZVYBZGQNLAPG-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)C[NH2+]CC1CC1 ZINC000872290343 589906875 /nfs/dbraw/zinc/90/68/75/589906875.db2.gz MIDODFKAMDAVLE-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872293107 589907609 /nfs/dbraw/zinc/90/76/09/589907609.db2.gz GQRRFQIZSJUNOD-AXFHLTTASA-N 2 0 227.352 0.748 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000872297580 589907896 /nfs/dbraw/zinc/90/78/96/589907896.db2.gz QVKOGKVPCBYZGG-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000872297930 589907947 /nfs/dbraw/zinc/90/79/47/589907947.db2.gz YZXOHAMRANFTQX-NSHDSACASA-N 2 0 239.363 0.714 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000872301850 589908298 /nfs/dbraw/zinc/90/82/98/589908298.db2.gz WKXXGTIYIHKBSI-NSHDSACASA-N 2 0 237.347 0.634 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[NH2+]CCC1(C)C ZINC000872298896 589908325 /nfs/dbraw/zinc/90/83/25/589908325.db2.gz WDYASYDUZMXZDZ-LLVKDONJSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[NH2+]CCC1(C)C ZINC000872298891 589908365 /nfs/dbraw/zinc/90/83/65/589908365.db2.gz VWBRJNZJZASZHH-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872310853 589909625 /nfs/dbraw/zinc/90/96/25/589909625.db2.gz OVQSJNBXUUZEOC-KXNHARMFSA-N 2 0 239.363 0.748 20 0 BCADRP [NH3+]C[C@@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000873200696 589992780 /nfs/dbraw/zinc/99/27/80/589992780.db2.gz DMXZCFCZFQDDSS-UNXYVOJBSA-N 2 0 209.337 0.409 20 0 BCADRP c1c(CN[C@H]2CC[NH2+]C2)sc2c1C[NH2+]CC2 ZINC000873211374 589996227 /nfs/dbraw/zinc/99/62/27/589996227.db2.gz ZJGJWPXZUPQBOE-JTQLQIEISA-N 2 0 237.372 0.845 20 0 BCADRP CC(C)[C@H](C[NH3+])CN[C@@H]1C[NH2+]CCC1(F)F ZINC000873211721 589996352 /nfs/dbraw/zinc/99/63/52/589996352.db2.gz DFBUYDLRPXHFTO-NXEZZACHSA-N 2 0 235.322 0.804 20 0 BCADRP CC1(C[NH2+]Cc2cnc(N)cn2)CC[NH2+]CC1 ZINC000873212186 589996408 /nfs/dbraw/zinc/99/64/08/589996408.db2.gz JJWJPAUMOUWIEW-UHFFFAOYSA-N 2 0 235.335 0.538 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NCc1cnc(N)cn1 ZINC000873214037 589996819 /nfs/dbraw/zinc/99/68/19/589996819.db2.gz VLEUUUWIBDPPPE-YUMQZZPRSA-N 2 0 209.297 0.274 20 0 BCADRP Nc1cnc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cn1 ZINC000873212963 589996924 /nfs/dbraw/zinc/99/69/24/589996924.db2.gz SFVVEKMQRGVLJN-SNVBAGLBSA-N 2 0 235.335 0.681 20 0 BCADRP Nc1cnc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cn1 ZINC000873213432 589996958 /nfs/dbraw/zinc/99/69/58/589996958.db2.gz ZLDSCNRWGMXVSN-XYPYZODXSA-N 2 0 249.362 0.914 20 0 BCADRP C([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)C12CC(C1)C[NH2+]2 ZINC000873215930 589998463 /nfs/dbraw/zinc/99/84/63/589998463.db2.gz HMRMMKIVNFLJTA-ATHRMBBZSA-N 2 0 234.343 0.751 20 0 BCADRP C[C@@H]([NH2+]C[C@@]1(C)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000873221028 589999446 /nfs/dbraw/zinc/99/94/46/589999446.db2.gz XMJOXMPPYQRPJR-YPMHNXCESA-N 3 0 225.380 0.964 20 0 BCADRP COCCC1(NCCC[NH3+])CC[NH2+]CC1 ZINC000873225531 590000745 /nfs/dbraw/zinc/00/07/45/590000745.db2.gz RXLHJJVNMUNKFN-UHFFFAOYSA-N 2 0 215.341 0.084 20 0 BCADRP CC(C)(O)C[N@@H+]1CC[C@H](N[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000873236162 590004261 /nfs/dbraw/zinc/00/42/61/590004261.db2.gz VIYMKUXBLJPBKG-SRVKXCTJSA-N 2 0 241.379 0.301 20 0 BCADRP C[C@@H](N[C@H]1CC[N@H+](CC(C)(C)O)C1)C1C[NH2+]C1 ZINC000873236418 590004791 /nfs/dbraw/zinc/00/47/91/590004791.db2.gz XLNFKCKCWNLFBE-PWSUYJOCSA-N 2 0 241.379 0.029 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000873245985 590006745 /nfs/dbraw/zinc/00/67/45/590006745.db2.gz QVJGULSJBWXKCF-MNOVXSKESA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cnccc1N ZINC000873249310 590007311 /nfs/dbraw/zinc/00/73/11/590007311.db2.gz KPMLLUSJYPFYHP-LPEHRKFASA-N 2 0 220.320 0.882 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000873248687 590007546 /nfs/dbraw/zinc/00/75/46/590007546.db2.gz DOJLAMDPNRNJCK-WISYIIOYSA-N 3 0 211.353 0.844 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873250891 590008570 /nfs/dbraw/zinc/00/85/70/590008570.db2.gz RJMRALJIXPPOII-NNYUYHANSA-N 3 0 211.353 0.701 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000873255610 590010702 /nfs/dbraw/zinc/01/07/02/590010702.db2.gz IFLAKONLZXWHAJ-PHIMTYICSA-N 3 0 211.353 0.798 20 0 BCADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256264 590010836 /nfs/dbraw/zinc/01/08/36/590010836.db2.gz NJBFRJMLWBJZJZ-FIQHERPVSA-N 2 0 227.352 0.080 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000873255972 590010840 /nfs/dbraw/zinc/01/08/40/590010840.db2.gz KGLJNMWLYHXWJE-ZDEQEGDKSA-N 3 0 223.364 0.940 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256949 590011605 /nfs/dbraw/zinc/01/16/05/590011605.db2.gz RJMRALJIXPPOII-KKOKHZNYSA-N 3 0 211.353 0.701 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256948 590011891 /nfs/dbraw/zinc/01/18/91/590011891.db2.gz RJMRALJIXPPOII-FIQHERPVSA-N 3 0 211.353 0.701 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cncn1C ZINC000873276262 590018079 /nfs/dbraw/zinc/01/80/79/590018079.db2.gz OEKGUDUGDWJKPD-JQWIXIFHSA-N 2 0 222.336 0.898 20 0 BCADRP C[C@H](NC[C@@H]1Cc2ccccc2C[NH2+]1)C1C[NH2+]C1 ZINC000873297199 590025354 /nfs/dbraw/zinc/02/53/54/590025354.db2.gz TYCZSNCBDORPSG-NHYWBVRUSA-N 2 0 245.370 0.898 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000874310642 590102705 /nfs/dbraw/zinc/10/27/05/590102705.db2.gz KJJCCOQXWQJAAU-GFCCVEGCSA-N 2 0 239.363 0.635 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000874300737 590102817 /nfs/dbraw/zinc/10/28/17/590102817.db2.gz ACSYKWIMVDDBGU-LBPRGKRZSA-N 2 0 239.363 0.635 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)[NH+](C)C ZINC000874822166 590141114 /nfs/dbraw/zinc/14/11/14/590141114.db2.gz GKIBRNVPZUCDEM-UTUOFQBUSA-N 2 0 239.363 0.632 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000876501999 590203301 /nfs/dbraw/zinc/20/33/01/590203301.db2.gz UZLVVGZVYAUOPA-WZRBSPASSA-N 2 0 237.347 0.468 20 0 BCADRP C[NH2+]CCCNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876507330 590204619 /nfs/dbraw/zinc/20/46/19/590204619.db2.gz BALNTGGAAGMJIO-MVIFTORASA-N 2 0 225.336 0.268 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000876508135 590204841 /nfs/dbraw/zinc/20/48/41/590204841.db2.gz UGRXGRLQYOTXJB-VFTMLMQFSA-N 2 0 237.347 0.266 20 0 BCADRP CC1(C)[C@H](C(=O)NCC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000876507980 590204875 /nfs/dbraw/zinc/20/48/75/590204875.db2.gz RBEUYYUQGPTIEP-QWRGUYRKSA-N 2 0 239.363 0.476 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876508290 590204899 /nfs/dbraw/zinc/20/48/99/590204899.db2.gz XZMMAFBIPWFWSQ-LOWVWBTDSA-N 2 0 237.347 0.387 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876515774 590206347 /nfs/dbraw/zinc/20/63/47/590206347.db2.gz XKYGPDCEGWNOBM-KXUCPTDWSA-N 2 0 225.336 0.180 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000876514643 590206607 /nfs/dbraw/zinc/20/66/07/590206607.db2.gz GOPBLPKOYUMEHL-GARJFASQSA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000876514645 590206741 /nfs/dbraw/zinc/20/67/41/590206741.db2.gz GOPBLPKOYUMEHL-GMTAPVOTSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876519345 590206994 /nfs/dbraw/zinc/20/69/94/590206994.db2.gz WQCNAXNOROIWMI-DJLDLDEBSA-N 2 0 213.325 0.213 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000876518177 590206998 /nfs/dbraw/zinc/20/69/98/590206998.db2.gz MHIBVCBXJXNANI-LLVKDONJSA-N 2 0 249.358 0.802 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876519344 590207000 /nfs/dbraw/zinc/20/70/00/590207000.db2.gz WQCNAXNOROIWMI-CIUDSAMLSA-N 2 0 213.325 0.213 20 0 BCADRP CC[NH2+]CCNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876521697 590207261 /nfs/dbraw/zinc/20/72/61/590207261.db2.gz UTVKJDASXWXNFV-QRGHLMKCSA-N 2 0 225.336 0.268 20 0 BCADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)NCC[NH2+]C1CC1 ZINC000876521917 590207404 /nfs/dbraw/zinc/20/74/04/590207404.db2.gz BOAWUUKYKXAHAM-ZXCPCRMDSA-N 2 0 237.347 0.410 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876523620 590207842 /nfs/dbraw/zinc/20/78/42/590207842.db2.gz AGXMQMSYNYDRSJ-DTORHVGOSA-N 2 0 213.325 0.357 20 0 BCADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NC[C@H]1CCC[NH2+]1 ZINC000876522677 590207961 /nfs/dbraw/zinc/20/79/61/590207961.db2.gz ZJXCSMOYKYTZMQ-ABZJQCSKSA-N 2 0 237.347 0.410 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876524896 590208488 /nfs/dbraw/zinc/20/84/88/590208488.db2.gz VSRYUUYGDWDSOE-WDEREUQCSA-N 2 0 245.342 0.438 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876524793 590208540 /nfs/dbraw/zinc/20/85/40/590208540.db2.gz SVLXTPBMBMWLNA-MNOVXSKESA-N 2 0 241.379 0.864 20 0 BCADRP CN(C(=O)/C=C/[C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000876528639 590209130 /nfs/dbraw/zinc/20/91/30/590209130.db2.gz UAHMIFDYOCALHH-XMXMHJJKSA-N 2 0 237.347 0.363 20 0 BCADRP CN(C(=O)/C=C/[C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000876528638 590209364 /nfs/dbraw/zinc/20/93/64/590209364.db2.gz UAHMIFDYOCALHH-RUULKOMLSA-N 2 0 237.347 0.363 20 0 BCADRP [NH3+]CC1(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CCCC1 ZINC000876530642 590209783 /nfs/dbraw/zinc/20/97/83/590209783.db2.gz OWMQNLPSOCTQRC-VHSXEESVSA-N 2 0 243.326 0.322 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C)C1CC1 ZINC000876530416 590209842 /nfs/dbraw/zinc/20/98/42/590209842.db2.gz QDSJIYIVHKDJLQ-GIPNMCIBSA-N 2 0 239.363 0.603 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876528939 590209880 /nfs/dbraw/zinc/20/98/80/590209880.db2.gz BRYWHANRTXOFDI-NXEZZACHSA-N 2 0 241.379 0.994 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876529946 590209898 /nfs/dbraw/zinc/20/98/98/590209898.db2.gz MJPXKCGXYZTORD-YUMQZZPRSA-N 2 0 249.305 0.460 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)C[C@@H](C)[NH2+]1 ZINC000876529734 590210020 /nfs/dbraw/zinc/21/00/20/590210020.db2.gz GIPVTVWGFQPGNE-ZNSHCXBVSA-N 2 0 239.363 0.569 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000876529062 590210027 /nfs/dbraw/zinc/21/00/27/590210027.db2.gz DOGCZEZXTZFQLK-XWIASGKRSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@@H]1CN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000876530267 590210050 /nfs/dbraw/zinc/21/00/50/590210050.db2.gz PXWVKDNFVNYBGN-JYYSYOFASA-N 2 0 237.347 0.363 20 0 BCADRP [NH3+]C[C@H](NC(=O)/C=C\[C@H]1CCC[NH2+]C1)C1CC1 ZINC000876536382 590211169 /nfs/dbraw/zinc/21/11/69/590211169.db2.gz BHCSJEVYXXQQQV-UAJXTSGYSA-N 2 0 237.347 0.396 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000876535684 590211184 /nfs/dbraw/zinc/21/11/84/590211184.db2.gz ZRACBEAQAZIKLN-WZRBSPASSA-N 2 0 239.363 0.714 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000876537646 590211490 /nfs/dbraw/zinc/21/14/90/590211490.db2.gz XLVDBIJNOMWBPV-KXUCPTDWSA-N 2 0 225.336 0.213 20 0 BCADRP CC(C)([NH3+])CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876538603 590211638 /nfs/dbraw/zinc/21/16/38/590211638.db2.gz KZSXFEHCQZVNRK-OMMCCPJFSA-N 2 0 225.336 0.396 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876540106 590212078 /nfs/dbraw/zinc/21/20/78/590212078.db2.gz FTWSXKCKRWRKTM-GARJFASQSA-N 2 0 239.363 0.570 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876539877 590212306 /nfs/dbraw/zinc/21/23/06/590212306.db2.gz APPMURDJQIYYOF-VHSXEESVSA-N 2 0 241.379 0.803 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876542642 590212682 /nfs/dbraw/zinc/21/26/82/590212682.db2.gz YOKBPXDWCSHBNV-UWVGGRQHSA-N 2 0 245.342 0.377 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876544463 590213212 /nfs/dbraw/zinc/21/32/12/590213212.db2.gz ULCYOJIEWULVRQ-GMTAPVOTSA-N 2 0 241.379 0.994 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876710406 590232850 /nfs/dbraw/zinc/23/28/50/590232850.db2.gz KBKQEWDFMHJOHR-QWRGUYRKSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000876736537 590234090 /nfs/dbraw/zinc/23/40/90/590234090.db2.gz VMJFAHGMXRFJNS-BBBLOLIVSA-N 2 0 231.315 0.000 20 0 BCADRP C[C@H](CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000876736539 590234211 /nfs/dbraw/zinc/23/42/11/590234211.db2.gz VMJFAHGMXRFJNS-KXUCPTDWSA-N 2 0 231.315 0.000 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000876734066 590234620 /nfs/dbraw/zinc/23/46/20/590234620.db2.gz OKJMZYRGKURZQU-DCAQKATOSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876738351 590235225 /nfs/dbraw/zinc/23/52/25/590235225.db2.gz BGDGNCDPFPIZRB-OUAUKWLOSA-N 2 0 245.342 0.390 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000876772494 590239742 /nfs/dbraw/zinc/23/97/42/590239742.db2.gz OFXGRIOYBZKCSS-QJPTWQEYSA-N 2 0 241.379 0.912 20 0 BCADRP CN1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876789512 590241212 /nfs/dbraw/zinc/24/12/12/590241212.db2.gz CQSRBJVHJLPJPW-NXEZZACHSA-N 2 0 225.336 0.134 20 0 BCADRP C[NH2+]CCN(C)C(=O)c1oc(C[NH3+])cc1C ZINC000876792343 590241764 /nfs/dbraw/zinc/24/17/64/590241764.db2.gz QLNYHJUETIFLMK-UHFFFAOYSA-N 2 0 225.292 0.338 20 0 BCADRP C[NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC000876792295 590241972 /nfs/dbraw/zinc/24/19/72/590241972.db2.gz NRYPQQAUTAKCKB-UHFFFAOYSA-N 2 0 213.325 0.006 20 0 BCADRP C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000876792930 590242293 /nfs/dbraw/zinc/24/22/93/590242293.db2.gz ZYAMZYLODRXNBP-SNVBAGLBSA-N 2 0 213.325 0.006 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000876813148 590245515 /nfs/dbraw/zinc/24/55/15/590245515.db2.gz RWUDWVGUNCTQHR-UMNHJUIQSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876829273 590246719 /nfs/dbraw/zinc/24/67/19/590246719.db2.gz FUNQRWDUCIYQEW-YVDHIRPGSA-N 2 0 211.309 0.006 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000876829398 590246840 /nfs/dbraw/zinc/24/68/40/590246840.db2.gz SLOFRNAHEDBNMX-ZRUFSTJUSA-N 2 0 243.326 0.320 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000876829757 590246845 /nfs/dbraw/zinc/24/68/45/590246845.db2.gz XYYNJVUGQVIPNK-GWOFURMSSA-N 2 0 239.363 0.746 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC[NH2+]1 ZINC000876829596 590246858 /nfs/dbraw/zinc/24/68/58/590246858.db2.gz WQUNKNQVWHAZJH-LPEHRKFASA-N 2 0 225.336 0.180 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876831641 590247794 /nfs/dbraw/zinc/24/77/94/590247794.db2.gz JKLPMSPUXNWKAY-NAKRPEOUSA-N 2 0 239.363 0.617 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@]2(C)CCC[NH2+]2)CC[NH2+]1 ZINC000876834035 590247918 /nfs/dbraw/zinc/24/79/18/590247918.db2.gz LMDHYPLDMSSGQE-NHCYSSNCSA-N 2 0 225.336 0.385 20 0 BCADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876838701 590248259 /nfs/dbraw/zinc/24/82/59/590248259.db2.gz UVPLBLLOUULDKY-DPBVVWTHSA-N 2 0 249.358 0.220 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876836651 590248348 /nfs/dbraw/zinc/24/83/48/590248348.db2.gz FOWWJTMNHVDCMZ-BBBLOLIVSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[NH+](C)C ZINC000876840485 590248480 /nfs/dbraw/zinc/24/84/80/590248480.db2.gz BKZLHIMEFHPHAC-DGCLKSJQSA-N 2 0 239.363 0.539 20 0 BCADRP CC1(C)[C@H](C(=O)N2CC[C@](C)(C[NH3+])C2)C[C@@H]1[NH3+] ZINC000876840618 590248496 /nfs/dbraw/zinc/24/84/96/590248496.db2.gz VNCNVRIRBNNMQS-OUJBWJOFSA-N 2 0 239.363 0.557 20 0 BCADRP C[C@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[NH+](C)C ZINC000876840486 590248510 /nfs/dbraw/zinc/24/85/10/590248510.db2.gz BKZLHIMEFHPHAC-YPMHNXCESA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)CCNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876848393 590249466 /nfs/dbraw/zinc/24/94/66/590249466.db2.gz RVTUXDPSNSXYIF-MVIFTORASA-N 2 0 225.336 0.220 20 0 BCADRP C[NH+](C)CCNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876848392 590249484 /nfs/dbraw/zinc/24/94/84/590249484.db2.gz RVTUXDPSNSXYIF-ISALQUGTSA-N 2 0 225.336 0.220 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000876857769 590249989 /nfs/dbraw/zinc/24/99/89/590249989.db2.gz VUIWPWWNRIZTRM-AXTSPUMRSA-N 2 0 243.326 0.176 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876853870 590250135 /nfs/dbraw/zinc/25/01/35/590250135.db2.gz AVGTZNQPVKQFIK-OUAUKWLOSA-N 2 0 245.342 0.568 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC000876857330 590250185 /nfs/dbraw/zinc/25/01/85/590250185.db2.gz BCNUELCNOVSMDJ-YJPKOGHISA-N 2 0 239.363 0.642 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC000876857327 590250292 /nfs/dbraw/zinc/25/02/92/590250292.db2.gz BCNUELCNOVSMDJ-JJABWGLASA-N 2 0 239.363 0.642 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876859122 590250614 /nfs/dbraw/zinc/25/06/14/590250614.db2.gz CLKMZZWVAOBLML-UWVGGRQHSA-N 2 0 245.342 0.568 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]([NH3+])CC ZINC000876864601 590250954 /nfs/dbraw/zinc/25/09/54/590250954.db2.gz UUNDQCSQRXPTLV-OYBBBQMASA-N 2 0 225.336 0.252 20 0 BCADRP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C)C1(C[NH3+])CCC1 ZINC000876866410 590251302 /nfs/dbraw/zinc/25/13/02/590251302.db2.gz FNNXKUVHXDGOCY-NXEZZACHSA-N 2 0 239.363 0.700 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1(F)F ZINC000876869361 590251485 /nfs/dbraw/zinc/25/14/85/590251485.db2.gz DUZRGFMGFCKVFA-RBXMUDONSA-N 2 0 247.289 0.070 20 0 BCADRP C[NH+](C)C[C@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000876867531 590251584 /nfs/dbraw/zinc/25/15/84/590251584.db2.gz YUBOGTZMBJRSNQ-LBPRGKRZSA-N 2 0 248.330 0.117 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000876865177 590251676 /nfs/dbraw/zinc/25/16/76/590251676.db2.gz VAJCRGLXCFBIES-SFYZADRCSA-N 2 0 235.278 0.098 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876872346 590251771 /nfs/dbraw/zinc/25/17/71/590251771.db2.gz YCALHLLTMOBUEJ-GUBZILKMSA-N 2 0 243.326 0.191 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876872210 590251995 /nfs/dbraw/zinc/25/19/95/590251995.db2.gz VLALGWWGBYYRQI-KOLCDFICSA-N 2 0 249.314 0.481 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000876871983 590252105 /nfs/dbraw/zinc/25/21/05/590252105.db2.gz PWGDCOYMNDYYKC-NSHDSACASA-N 2 0 239.363 0.633 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876871997 590252123 /nfs/dbraw/zinc/25/21/23/590252123.db2.gz QFRVFESDTOKZHR-FXQIFTODSA-N 2 0 247.289 0.083 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000876884591 590253674 /nfs/dbraw/zinc/25/36/74/590253674.db2.gz FCQCXFAUAWRFCG-UTUOFQBUSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876913111 590256484 /nfs/dbraw/zinc/25/64/84/590256484.db2.gz ALYOJSFNYOWTRH-AXFHLTTASA-N 2 0 241.379 0.994 20 0 BCADRP C[C@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000876919254 590257566 /nfs/dbraw/zinc/25/75/66/590257566.db2.gz UWDBQAZLQNCTOQ-GVXVVHGQSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876935008 590258588 /nfs/dbraw/zinc/25/85/88/590258588.db2.gz PVUHZFYZYXJGFX-XAMCCFCMSA-N 2 0 235.278 0.068 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876933220 590258812 /nfs/dbraw/zinc/25/88/12/590258812.db2.gz JFQOSYDFYNOTPZ-DBIOUOCHSA-N 2 0 243.326 0.320 20 0 BCADRP O=C(NCCC[NH2+]C1CC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876938463 590258908 /nfs/dbraw/zinc/25/89/08/590258908.db2.gz GBYLXHANZDBRQJ-GXSJLCMTSA-N 2 0 243.326 0.192 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000876935710 590259123 /nfs/dbraw/zinc/25/91/23/590259123.db2.gz UKMBMQKWAUPARI-LMLFDSFASA-N 2 0 227.352 0.746 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876952578 590260253 /nfs/dbraw/zinc/26/02/53/590260253.db2.gz UETHYFDDBBWAHV-ZNSHCXBVSA-N 2 0 239.363 0.698 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000876956278 590260805 /nfs/dbraw/zinc/26/08/05/590260805.db2.gz ITFKJRIRYUYEON-GRYCIOLGSA-N 2 0 239.363 0.857 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CCCC1 ZINC000876964927 590261823 /nfs/dbraw/zinc/26/18/23/590261823.db2.gz VRJPKOFHXBYTJU-UWVGGRQHSA-N 2 0 243.326 0.322 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876968366 590262703 /nfs/dbraw/zinc/26/27/03/590262703.db2.gz GXSKKUSIRHTXJQ-FDWMKNOZSA-N 2 0 249.358 0.468 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876977810 590263863 /nfs/dbraw/zinc/26/38/63/590263863.db2.gz FYURYQUOJCGJRD-TUISVCKWSA-N 2 0 225.336 0.266 20 0 BCADRP C[C@@]1(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000876980016 590264474 /nfs/dbraw/zinc/26/44/74/590264474.db2.gz CQDUJXWBAVAYLJ-CKYFFXLPSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876979029 590264481 /nfs/dbraw/zinc/26/44/81/590264481.db2.gz YSVXKGGLODXNQB-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@]1(NC(=O)/C=C\[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000876980063 590264508 /nfs/dbraw/zinc/26/45/08/590264508.db2.gz DYHGLENHBWVHHJ-JLXHFUFZSA-N 2 0 237.347 0.410 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000877005292 590268141 /nfs/dbraw/zinc/26/81/41/590268141.db2.gz QYPWAFBZCKZQCG-MWLCHTKSSA-N 2 0 237.347 0.528 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)[C@]2(C)CCC[NH2+]2)C[NH2+]1 ZINC000877046174 590273810 /nfs/dbraw/zinc/27/38/10/590273810.db2.gz JSXPRVDVDHHMRZ-UMNHJUIQSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000877095741 590281757 /nfs/dbraw/zinc/28/17/57/590281757.db2.gz PWZHWPJBDNLKAT-SECBINFHSA-N 2 0 221.304 0.565 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000877095653 590281948 /nfs/dbraw/zinc/28/19/48/590281948.db2.gz NYIIBQBIKRVDAZ-JGVFFNPUSA-N 2 0 201.314 0.165 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000877095027 590282145 /nfs/dbraw/zinc/28/21/45/590282145.db2.gz GTVNNLALYVQYMY-ZYHUDNBSSA-N 2 0 235.331 0.362 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000877095804 590282175 /nfs/dbraw/zinc/28/21/75/590282175.db2.gz RWUSFIGZQMMEKH-JQWIXIFHSA-N 2 0 235.331 0.535 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877102840 590283609 /nfs/dbraw/zinc/28/36/09/590283609.db2.gz NIJCDFRYXZKUCF-PWSUYJOCSA-N 2 0 235.331 0.800 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000877102479 590283719 /nfs/dbraw/zinc/28/37/19/590283719.db2.gz IUIVZPWKTHVSBK-SECBINFHSA-N 2 0 233.315 0.709 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N(C)C[C@H](C)[NH3+] ZINC000877102839 590283764 /nfs/dbraw/zinc/28/37/64/590283764.db2.gz NIJCDFRYXZKUCF-JQWIXIFHSA-N 2 0 235.331 0.800 20 0 BCADRP CC[C@@]1(C(=O)N(C)C[C@@H](C)[NH3+])CCC[NH2+]1 ZINC000877103477 590283896 /nfs/dbraw/zinc/28/38/96/590283896.db2.gz VGCPADVWVPEYSY-KOLCDFICSA-N 2 0 213.325 0.324 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877103670 590284051 /nfs/dbraw/zinc/28/40/51/590284051.db2.gz XRENUSVYKDAQBE-IUCAKERBSA-N 2 0 201.314 0.180 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103668 590284120 /nfs/dbraw/zinc/28/41/20/590284120.db2.gz XRENUSVYKDAQBE-BDAKNGLRSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000877106940 590285197 /nfs/dbraw/zinc/28/51/97/590285197.db2.gz YAKZTGYOWUWKRE-RKDXNWHRSA-N 2 0 213.325 0.180 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877107987 590286511 /nfs/dbraw/zinc/28/65/11/590286511.db2.gz NQDLYDAZXDYMET-VMZVSEJASA-N 2 0 225.336 0.204 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000877108015 590286548 /nfs/dbraw/zinc/28/65/48/590286548.db2.gz NYJCNWKRTQBOSP-YIZRAAEISA-N 2 0 213.325 0.165 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000877109299 590287065 /nfs/dbraw/zinc/28/70/65/590287065.db2.gz FPUDTSXZPRVSGN-QCLDYOLQSA-N 2 0 237.347 0.409 20 0 BCADRP [NH3+][C@@H](CC(=O)N1CCCCC[C@@H]([NH3+])C1)C1CC1 ZINC000877126934 590289805 /nfs/dbraw/zinc/28/98/05/590289805.db2.gz WQETWCMYRYSDJZ-NEPJUHHUSA-N 2 0 239.363 0.844 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000877128600 590290110 /nfs/dbraw/zinc/29/01/10/590290110.db2.gz IEYVYGXFXDQPOA-JQWIXIFHSA-N 2 0 243.326 0.418 20 0 BCADRP CC1(C)CC[C@H](CNC(=O)[C@H]2CC[NH2+]2)[NH2+]C1 ZINC000877151139 590292479 /nfs/dbraw/zinc/29/24/79/590292479.db2.gz CYXPRRSUPBLQHL-NXEZZACHSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877153240 590293017 /nfs/dbraw/zinc/29/30/17/590293017.db2.gz UQGPZAOKKLTSPA-SNVBAGLBSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877153736 590293317 /nfs/dbraw/zinc/29/33/17/590293317.db2.gz YFQZXVZTBVBYFR-ZJUUUORDSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877158192 590293792 /nfs/dbraw/zinc/29/37/92/590293792.db2.gz PICQIBZYKKLZRB-QWRGUYRKSA-N 2 0 241.379 0.864 20 0 BCADRP C[NH2+]CC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877157525 590293999 /nfs/dbraw/zinc/29/39/99/590293999.db2.gz HXQYJQQLQMRNOB-SECBINFHSA-N 2 0 213.325 0.100 20 0 BCADRP [NH3+]Cc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000877167766 590295465 /nfs/dbraw/zinc/29/54/65/590295465.db2.gz ISHIBDXYLIMCJJ-RYUDHWBXSA-N 2 0 231.299 0.332 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000877171982 590296160 /nfs/dbraw/zinc/29/61/60/590296160.db2.gz IIWOFHWWNOXAOV-BKUVIOGVSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)CC[NH2+]CC1CC1 ZINC000877171428 590296177 /nfs/dbraw/zinc/29/61/77/590296177.db2.gz GZPKKPHOULJARH-GXSJLCMTSA-N 2 0 225.336 0.324 20 0 BCADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877171575 590296385 /nfs/dbraw/zinc/29/63/85/590296385.db2.gz BJMUQYKQHRDOLW-GSRHRYKCSA-N 2 0 249.358 0.505 20 0 BCADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877171578 590296421 /nfs/dbraw/zinc/29/64/21/590296421.db2.gz BJMUQYKQHRDOLW-SABXLNKYSA-N 2 0 249.358 0.505 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C=C1CC[NH2+]CC1 ZINC000877172489 590296437 /nfs/dbraw/zinc/29/64/37/590296437.db2.gz RDXGWSQJKVIXPM-GXSJLCMTSA-N 2 0 223.320 0.244 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000877174943 590296680 /nfs/dbraw/zinc/29/66/80/590296680.db2.gz HZIAJIICTYCZKQ-AXFHLTTASA-N 2 0 225.336 0.467 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877173091 590296867 /nfs/dbraw/zinc/29/68/67/590296867.db2.gz YEYYMCTYWKKJPD-QLJSQJDHSA-N 2 0 249.358 0.361 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cccc(C[NH3+])c1 ZINC000877174123 590296871 /nfs/dbraw/zinc/29/68/71/590296871.db2.gz AOPLNSMQNWFDSE-SKDRFNHKSA-N 2 0 233.315 0.707 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000877176874 590297110 /nfs/dbraw/zinc/29/71/10/590297110.db2.gz PWDNCAPWMOMJCI-SZEHBUNVSA-N 2 0 211.309 0.062 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CCCCC[NH3+] ZINC000877177952 590297115 /nfs/dbraw/zinc/29/71/15/590297115.db2.gz XGGMIKZHJYBUCI-ZJUUUORDSA-N 2 0 213.325 0.454 20 0 BCADRP CC[NH2+]CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000877179027 590297534 /nfs/dbraw/zinc/29/75/34/590297534.db2.gz HUPKVFCOAADKBO-MGCOHNPYSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187533 590298069 /nfs/dbraw/zinc/29/80/69/590298069.db2.gz AKRWFQJBXSEFPW-GRZMOONWSA-N 2 0 225.336 0.596 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000877179694 590298163 /nfs/dbraw/zinc/29/81/63/590298163.db2.gz HKYYHQZRKXTFBB-NHCYSSNCSA-N 2 0 239.363 0.761 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877184655 590298425 /nfs/dbraw/zinc/29/84/25/590298425.db2.gz PSLPOCCPBVEJPH-GRZMOONWSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2C3CCC2(C[NH3+])CC3)co1 ZINC000877187788 590298446 /nfs/dbraw/zinc/29/84/46/590298446.db2.gz HLCQIAQUEPAGHA-UHFFFAOYSA-N 2 0 249.314 0.834 20 0 BCADRP C[C@H](C(=O)N1C2CCC1(C[NH3+])CC2)[NH+](C)C ZINC000877186696 590298490 /nfs/dbraw/zinc/29/84/90/590298490.db2.gz WDBFGRQDYLHNLZ-GRZMOONWSA-N 2 0 225.336 0.419 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000877187559 590298519 /nfs/dbraw/zinc/29/85/19/590298519.db2.gz BBGHLMNKCUNHBZ-BGZAYEDQSA-N 2 0 249.358 0.468 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)C[C@H]1CC[NH2+]C1 ZINC000877184166 590298660 /nfs/dbraw/zinc/29/86/60/590298660.db2.gz KZGIPFVTSOCCAZ-XSRFYTQQSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)C[C@@H]([NH3+])C1CC1 ZINC000877187890 590298699 /nfs/dbraw/zinc/29/86/99/590298699.db2.gz LKQXCVZOALENNJ-QWKFWESOSA-N 2 0 237.347 0.596 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1CCC[NH2+]C1 ZINC000877188007 590299142 /nfs/dbraw/zinc/29/91/42/590299142.db2.gz OSHFFXAQAXOJNE-XSRFYTQQSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)C[NH2+]C1CC1 ZINC000877188110 590299243 /nfs/dbraw/zinc/29/92/43/590299243.db2.gz PDLFNKFHNHDXTK-UHFFFAOYSA-N 2 0 223.320 0.221 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)C1 ZINC000877240720 590302126 /nfs/dbraw/zinc/30/21/26/590302126.db2.gz AMNBVZDVBGCALK-JJVHAXESSA-N 2 0 237.347 0.396 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877243417 590302579 /nfs/dbraw/zinc/30/25/79/590302579.db2.gz KTZXTHSRUFOCEY-GMTAPVOTSA-N 2 0 239.363 0.618 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242325 590302630 /nfs/dbraw/zinc/30/26/30/590302630.db2.gz AFJNGUSWPPFWCB-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000877243407 590302887 /nfs/dbraw/zinc/30/28/87/590302887.db2.gz KHTREEAJRYFYES-XWLWVQCSSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)C1 ZINC000877244314 590302968 /nfs/dbraw/zinc/30/29/68/590302968.db2.gz AMNBVZDVBGCALK-LRABVFIDSA-N 2 0 237.347 0.396 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000877244910 590303222 /nfs/dbraw/zinc/30/32/22/590303222.db2.gz UXJWKPHLZFSGBT-UZWSLXQKSA-N 2 0 237.347 0.372 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]([NH3+])C3)CC[C@H]21 ZINC000877250378 590303447 /nfs/dbraw/zinc/30/34/47/590303447.db2.gz PNHQDZOKQAUEJF-DDHJBXDOSA-N 2 0 237.347 0.276 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3=CC[C@@H]([NH3+])C3)CC[C@H]21 ZINC000877249102 590303743 /nfs/dbraw/zinc/30/37/43/590303743.db2.gz HSRHTRMECMLYCI-JHJVBQTASA-N 2 0 249.358 0.587 20 0 BCADRP C[C@@H](NC(=O)[C@H](C)[NH+](C)C)C1CC[NH2+]CC1 ZINC000877251566 590303857 /nfs/dbraw/zinc/30/38/57/590303857.db2.gz BKJRPQMPBAEWNB-ZJUUUORDSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@H](C(=O)N[C@@H](C)C1CC[NH2+]CC1)[NH+](C)C ZINC000877252920 590304370 /nfs/dbraw/zinc/30/43/70/590304370.db2.gz BKJRPQMPBAEWNB-VHSXEESVSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@@H](NC(=O)c1c[nH+]ccc1N)C1CC[NH2+]CC1 ZINC000877253396 590304295 /nfs/dbraw/zinc/30/42/95/590304295.db2.gz VNQUFZBAYIZKKG-SECBINFHSA-N 2 0 248.330 0.612 20 0 BCADRP C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC000877253159 590304322 /nfs/dbraw/zinc/30/43/22/590304322.db2.gz MIPGHIAZEJOFIE-ZYHUDNBSSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H](C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)[NH+](C)C ZINC000877271010 590304842 /nfs/dbraw/zinc/30/48/42/590304842.db2.gz AQINKICVXQRVIZ-OUAUKWLOSA-N 2 0 225.336 0.289 20 0 BCADRP C[C@H](C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)[NH+](C)C ZINC000877271007 590304932 /nfs/dbraw/zinc/30/49/32/590304932.db2.gz AQINKICVXQRVIZ-GMTAPVOTSA-N 2 0 225.336 0.289 20 0 BCADRP C[C@H](C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)[NH+](C)C ZINC000877271009 590305258 /nfs/dbraw/zinc/30/52/58/590305258.db2.gz AQINKICVXQRVIZ-MXWKQRLJSA-N 2 0 225.336 0.289 20 0 BCADRP [NH3+]C1(CC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000877271893 590305275 /nfs/dbraw/zinc/30/52/75/590305275.db2.gz FOFLKRHMXUCIDG-UWVGGRQHSA-N 2 0 223.320 0.221 20 0 BCADRP [NH3+]CC1(CC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000877275192 590306053 /nfs/dbraw/zinc/30/60/53/590306053.db2.gz QAXQBLBQTZZZRZ-QWRGUYRKSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877280299 590306222 /nfs/dbraw/zinc/30/62/22/590306222.db2.gz CFPMOPVNRNMFTD-BJDJZHNGSA-N 2 0 237.347 0.337 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877283785 590306699 /nfs/dbraw/zinc/30/66/99/590306699.db2.gz RHECRJYKVNXVLY-GRYCIOLGSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877282442 590306868 /nfs/dbraw/zinc/30/68/68/590306868.db2.gz LWJUKACJYUTIJD-WDEREUQCSA-N 2 0 223.320 0.091 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877284749 590306970 /nfs/dbraw/zinc/30/69/70/590306970.db2.gz VZKKAZGWQUVWQI-NEPJUHHUSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877286657 590307085 /nfs/dbraw/zinc/30/70/85/590307085.db2.gz GAPDIANFRULWJG-NXEZZACHSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+]C1(CC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CCC1 ZINC000877287253 590307113 /nfs/dbraw/zinc/30/71/13/590307113.db2.gz JRDVWAMVPOWMAM-QWRGUYRKSA-N 2 0 237.347 0.611 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)o1 ZINC000877286679 590307488 /nfs/dbraw/zinc/30/74/88/590307488.db2.gz GHYCBSLFLVLAFT-GHMZBOCLSA-N 2 0 249.314 0.705 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877289274 590307638 /nfs/dbraw/zinc/30/76/38/590307638.db2.gz TWGKXRLPTZQYHX-NEPJUHHUSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+][C@H](CC(=O)N[C@@H]1CC[C@@H]([NH3+])CC1)C1CC1 ZINC000877293048 590307776 /nfs/dbraw/zinc/30/77/76/590307776.db2.gz YASAOGWQSCSQKW-GMTAPVOTSA-N 2 0 225.336 0.500 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877289275 590307902 /nfs/dbraw/zinc/30/79/02/590307902.db2.gz TWGKXRLPTZQYHX-NWDGAFQWSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877340021 590317680 /nfs/dbraw/zinc/31/76/80/590317680.db2.gz ITLLYVXJNOCFFL-GWCFXTLKSA-N 2 0 247.342 0.425 20 0 BCADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)[C@H]1CC[NH2+]1 ZINC000877342599 590317888 /nfs/dbraw/zinc/31/78/88/590317888.db2.gz DQEQXWXHCDQNOP-CHWSQXEVSA-N 2 0 245.326 0.179 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877339154 590317951 /nfs/dbraw/zinc/31/79/51/590317951.db2.gz SZNAXIYKAXTSGP-ZWNOBZJWSA-N 2 0 247.342 0.554 20 0 BCADRP [NH3+]CCCC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877347899 590319058 /nfs/dbraw/zinc/31/90/58/590319058.db2.gz VUCAOYSLPNBHJQ-CYBMUJFWSA-N 2 0 247.342 0.556 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877344369 590319176 /nfs/dbraw/zinc/31/91/76/590319176.db2.gz XSSAKNGDTXZWIJ-CYBMUJFWSA-N 2 0 247.342 0.427 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]1CCCC[NH2+]1)C2 ZINC000877379752 590319603 /nfs/dbraw/zinc/31/96/03/590319603.db2.gz MAVLSZWWBWBOPS-DMDPSCGWSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877374301 590319745 /nfs/dbraw/zinc/31/97/45/590319745.db2.gz FAAOKFABCKPQGJ-MEWQQHAOSA-N 2 0 237.347 0.052 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]1C[C@@]13CC[NH2+]C3)C2 ZINC000877374218 590319770 /nfs/dbraw/zinc/31/97/70/590319770.db2.gz BWZSTNBAOQUDQL-OIMNJJJWSA-N 2 0 249.358 0.054 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373970 590319907 /nfs/dbraw/zinc/31/99/07/590319907.db2.gz RCJAMINSEGOJQJ-JBLDHEPKSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1c[nH+]ccc1N)C2 ZINC000877374368 590319931 /nfs/dbraw/zinc/31/99/31/590319931.db2.gz HLBAMQNVXGFFRQ-TVQRCGJNSA-N 2 0 246.314 0.176 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@]1(C)CC[NH2+]C1)C2 ZINC000877379517 590320120 /nfs/dbraw/zinc/32/01/20/590320120.db2.gz JFAPSYLRCVSRBB-WCFLWFBJSA-N 2 0 237.347 0.054 20 0 BCADRP C[C@@H](C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2)[NH+](C)C ZINC000877384646 590321127 /nfs/dbraw/zinc/32/11/27/590321127.db2.gz KZSGPXPUOVZPIU-HOSYDEDBSA-N 2 0 225.336 0.337 20 0 BCADRP O=C(C[NH2+]C1CC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877390434 590321319 /nfs/dbraw/zinc/32/13/19/590321319.db2.gz KNFAFFUKIQRXPN-PWSUYJOCSA-N 2 0 223.320 0.139 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877390721 590321949 /nfs/dbraw/zinc/32/19/49/590321949.db2.gz LSMFVJJQUSNFPS-MEWQQHAOSA-N 2 0 237.347 0.385 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)CCCCCC[NH3+] ZINC000877438057 590327943 /nfs/dbraw/zinc/32/79/43/590327943.db2.gz IFFBHQRYKXBODI-SNVBAGLBSA-N 2 0 215.341 0.701 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877392578 590322264 /nfs/dbraw/zinc/32/22/64/590322264.db2.gz SRLITVKOOMJORM-JBLDHEPKSA-N 2 0 225.336 0.515 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877398893 590322207 /nfs/dbraw/zinc/32/22/07/590322207.db2.gz JADZPOWIXVBOJU-JOYOIKCWSA-N 2 0 225.336 0.515 20 0 BCADRP O=C(C[C@@H]1CC[NH2+]C1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877393500 590322360 /nfs/dbraw/zinc/32/23/60/590322360.db2.gz YOEKNJFQXNKSJR-DMDPSCGWSA-N 2 0 237.347 0.387 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877393446 590322382 /nfs/dbraw/zinc/32/23/82/590322382.db2.gz XUWBQPXYZCMKCV-YPMHNXCESA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)o1 ZINC000877399297 590323048 /nfs/dbraw/zinc/32/30/48/590323048.db2.gz MLHXCOGIJYIDIG-YPMHNXCESA-N 2 0 249.314 0.753 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877398854 590323252 /nfs/dbraw/zinc/32/32/52/590323252.db2.gz IAVAIXADOWFERF-DMDPSCGWSA-N 2 0 237.347 0.529 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)o1 ZINC000877399295 590323354 /nfs/dbraw/zinc/32/33/54/590323354.db2.gz MLHXCOGIJYIDIG-WCQYABFASA-N 2 0 249.314 0.753 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877399610 590323482 /nfs/dbraw/zinc/32/34/82/590323482.db2.gz NAJABCVADQRNMD-HOSYDEDBSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)CCCCCC[NH3+] ZINC000877435333 590327050 /nfs/dbraw/zinc/32/70/50/590327050.db2.gz PYPXTNHQFLNQMT-SNVBAGLBSA-N 2 0 215.341 0.701 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)C[C@H]1CC[NH2+]C1 ZINC000877437421 590328035 /nfs/dbraw/zinc/32/80/35/590328035.db2.gz FQKKVCYJZMVEPE-GFCCVEGCSA-N 2 0 241.379 0.964 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)C[NH2+]CC1CC1 ZINC000877444355 590328804 /nfs/dbraw/zinc/32/88/04/590328804.db2.gz LWKBISAIYVWQQJ-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP COC[C@H](C)C[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000877665082 590388743 /nfs/dbraw/zinc/38/87/43/590388743.db2.gz GZEYCPDXWLPWLG-NEPJUHHUSA-N 2 0 244.379 0.704 20 0 BCADRP C[NH+]1CCC2(CC[N@H+](CC[S@@](C)=O)C2)CC1 ZINC000878863756 590634950 /nfs/dbraw/zinc/63/49/50/590634950.db2.gz DZGRMJSPJBUBKD-MRXNPFEDSA-N 2 0 244.404 0.783 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000127621807 590724801 /nfs/dbraw/zinc/72/48/01/590724801.db2.gz RVFKLANAFHPZLP-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1CCCN(C(=O)C[C@@H]2CC[NH2+]C2)[C@@H]1C[NH3+] ZINC000127663336 590745448 /nfs/dbraw/zinc/74/54/48/590745448.db2.gz BDNUKXPZNSKMIR-SDDRHHMPSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](C(=O)NCC[N@@H+]1CCC[C@@H]1C)[NH+](C)C ZINC000879537188 590795999 /nfs/dbraw/zinc/79/59/99/590795999.db2.gz UXMMVGYWCPQRQU-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP CC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573764 590810940 /nfs/dbraw/zinc/81/09/40/590810940.db2.gz RCUJKGZVFOUZPS-GRYCIOLGSA-N 2 0 212.337 0.783 20 0 BCADRP C[C@H]1C[N@H+](CCCO)CCN1c1cc[nH+]cc1 ZINC000880261397 590980823 /nfs/dbraw/zinc/98/08/23/590980823.db2.gz JTHWHJBSWFWPNN-LBPRGKRZSA-N 2 0 235.331 0.975 20 0 BCADRP [NH3+][C@@H](CC(=O)NC1CCC([NH3+])CC1)C1CC1 ZINC000129856398 591414503 /nfs/dbraw/zinc/41/45/03/591414503.db2.gz YASAOGWQSCSQKW-ILDUYXDCSA-N 2 0 225.336 0.500 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000130657756 591494525 /nfs/dbraw/zinc/49/45/25/591494525.db2.gz GKQTXFNTEYJZOW-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000130672598 591496135 /nfs/dbraw/zinc/49/61/35/591496135.db2.gz ZWSRYWUTIITEOR-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000130672819 591496257 /nfs/dbraw/zinc/49/62/57/591496257.db2.gz ZWSRYWUTIITEOR-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000131145307 591559774 /nfs/dbraw/zinc/55/97/74/591559774.db2.gz PAQGMWYTVMANLB-GHMZBOCLSA-N 2 0 225.336 0.468 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883417619 591652352 /nfs/dbraw/zinc/65/23/52/591652352.db2.gz HTFXSQOVPFIRCT-DCAQKATOSA-N 2 0 215.316 0.370 20 0 BCADRP C[C@@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)[C@H]1C[NH3+] ZINC000883417727 591654091 /nfs/dbraw/zinc/65/40/91/591654091.db2.gz LCOYSXNEDANHIB-RHYQMDGZSA-N 2 0 229.343 0.746 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883423196 591659218 /nfs/dbraw/zinc/65/92/18/591659218.db2.gz GAPDZNWOPSOTBH-SDDRHHMPSA-N 2 0 229.343 0.712 20 0 BCADRP CN(C[C@@H]1C[C@H](F)C[NH2+]1)C[C@H]1CCC[N@H+](C)C1 ZINC000883423811 591659572 /nfs/dbraw/zinc/65/95/72/591659572.db2.gz WBRCEQCKKSUPMC-AVGNSLFASA-N 2 0 243.370 0.960 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883427901 591659816 /nfs/dbraw/zinc/65/98/16/591659816.db2.gz FXBOMXWPCVTEIA-SDDRHHMPSA-N 2 0 229.343 0.890 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CCC3(CC[NH2+]C3)CC2)C1 ZINC000883428322 591660237 /nfs/dbraw/zinc/66/02/37/591660237.db2.gz RBXNUGPGMHXLOP-RYUDHWBXSA-N 2 0 241.354 0.762 20 0 BCADRP C[C@@H]1[NH2+]CCN(C[C@@H]2C[C@H](F)C[NH2+]2)[C@H]1C ZINC000883427560 591660261 /nfs/dbraw/zinc/66/02/61/591660261.db2.gz VRQLWEQOYYGNDO-NAKRPEOUSA-N 2 0 215.316 0.369 20 0 BCADRP [NH3+][C@H]1CCCCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883438486 591660499 /nfs/dbraw/zinc/66/04/99/591660499.db2.gz UKEOEBGTGMZHLL-SRVKXCTJSA-N 2 0 229.343 0.890 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000883428101 591660622 /nfs/dbraw/zinc/66/06/22/591660622.db2.gz LSRANQDNNWNLLJ-AVGNSLFASA-N 2 0 241.354 0.762 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883430532 591662291 /nfs/dbraw/zinc/66/22/91/591662291.db2.gz XBVDSQWTZSNDQW-DCAQKATOSA-N 2 0 229.343 0.664 20 0 BCADRP [NH3+]CC12CC(C1)CN2C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883436299 591665627 /nfs/dbraw/zinc/66/56/27/591665627.db2.gz PFHOYHDHXKRCKW-SEQHWMEXSA-N 2 0 213.300 0.110 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883437724 591666792 /nfs/dbraw/zinc/66/67/92/591666792.db2.gz ZGODJLJRQDQOCI-SRVKXCTJSA-N 2 0 229.343 0.616 20 0 BCADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(F)CC1 ZINC000883446473 591671666 /nfs/dbraw/zinc/67/16/66/591671666.db2.gz FJLYZZHTSFTYBV-JTQLQIEISA-N 2 0 204.289 0.391 20 0 BCADRP CO[C@@H]1COCC[C@@H]1[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000883461030 591673793 /nfs/dbraw/zinc/67/37/93/591673793.db2.gz MKYYDODJZWPLHJ-SDDRHHMPSA-N 2 0 228.336 0.332 20 0 BCADRP CO[C@@H]1COCC[C@@H]1[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000883461160 591673948 /nfs/dbraw/zinc/67/39/48/591673948.db2.gz OWCPSWAALDXYTK-RWMBFGLXSA-N 2 0 242.363 0.722 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884006286 591794362 /nfs/dbraw/zinc/79/43/62/591794362.db2.gz MIPGOHONMKDEBT-NEPJUHHUSA-N 2 0 239.363 0.572 20 0 BCADRP COCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000884007665 591795228 /nfs/dbraw/zinc/79/52/28/591795228.db2.gz JSSNXQWRLQZUTQ-SNVBAGLBSA-N 2 0 243.351 0.128 20 0 BCADRP COCC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000884007664 591795975 /nfs/dbraw/zinc/79/59/75/591795975.db2.gz JSSNXQWRLQZUTQ-JTQLQIEISA-N 2 0 243.351 0.128 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884013732 591798882 /nfs/dbraw/zinc/79/88/82/591798882.db2.gz QVZSVFRNYUOALN-DLOVCJGASA-N 2 0 239.363 0.842 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)NCC1CC[NH2+]CC1 ZINC000884012135 591798960 /nfs/dbraw/zinc/79/89/60/591798960.db2.gz AJTXOFKENOBRIB-NSHDSACASA-N 2 0 225.336 0.230 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884014627 591799612 /nfs/dbraw/zinc/79/96/12/591799612.db2.gz SERHHSLPSRLXCZ-JTQLQIEISA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000884017238 591800068 /nfs/dbraw/zinc/80/00/68/591800068.db2.gz PUOWXRNIUDFGAR-NEPJUHHUSA-N 2 0 241.379 0.736 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000884017552 591800206 /nfs/dbraw/zinc/80/02/06/591800206.db2.gz ZJZHUTNWGCJSQX-WDEREUQCSA-N 2 0 239.363 0.429 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000884020743 591800476 /nfs/dbraw/zinc/80/04/76/591800476.db2.gz IKJKCZKEBJDYAI-QWRGUYRKSA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC[C@H](C)[NH3+] ZINC000884022343 591803020 /nfs/dbraw/zinc/80/30/20/591803020.db2.gz FKHDDXSWSFCNIW-UWVGGRQHSA-N 2 0 229.368 0.849 20 0 BCADRP CC[N@@H+]1CCN(c2cc(C)[nH+]c(N)n2)C[C@@H]1C ZINC000133491488 591804642 /nfs/dbraw/zinc/80/46/42/591804642.db2.gz SYVLSFAHCYIAAG-JTQLQIEISA-N 2 0 235.335 0.898 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000884026316 591809314 /nfs/dbraw/zinc/80/93/14/591809314.db2.gz ACCGAMQYZFDWAI-CHWSQXEVSA-N 2 0 247.342 0.930 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000884026741 591810249 /nfs/dbraw/zinc/81/02/49/591810249.db2.gz KVLHBHKUHJJJNI-GHMZBOCLSA-N 2 0 225.336 0.230 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@H](CC(C)C)[NH2+]C)C1 ZINC000884027753 591811535 /nfs/dbraw/zinc/81/15/35/591811535.db2.gz MAAGJNRJFKOENA-NEPJUHHUSA-N 2 0 241.379 0.688 20 0 BCADRP [NH3+]CC1(NC(=O)[C@@H]([NH3+])CC2CC2)CCCC1 ZINC000884029944 591813545 /nfs/dbraw/zinc/81/35/45/591813545.db2.gz AWQPCKPHVSZRTG-JTQLQIEISA-N 2 0 225.336 0.502 20 0 BCADRP [NH3+]CC1(NC(=O)[C@H]([NH3+])CC2CC2)CCCC1 ZINC000884029945 591814178 /nfs/dbraw/zinc/81/41/78/591814178.db2.gz AWQPCKPHVSZRTG-SNVBAGLBSA-N 2 0 225.336 0.502 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC2(C)C)CC[C@H]1[NH3+] ZINC000884033523 591815980 /nfs/dbraw/zinc/81/59/80/591815980.db2.gz OVIYIKAHFNHJFK-GMTAPVOTSA-N 2 0 239.363 0.428 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884036385 591817325 /nfs/dbraw/zinc/81/73/25/591817325.db2.gz UNDYRIONHDNZEX-JQWIXIFHSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC(C)(C)[NH3+] ZINC000884038346 591819758 /nfs/dbraw/zinc/81/97/58/591819758.db2.gz FFNRXDCHFOYIME-SECBINFHSA-N 2 0 229.368 0.849 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884039389 591821242 /nfs/dbraw/zinc/82/12/42/591821242.db2.gz MZCXBXPKUIIHQY-JTQLQIEISA-N 2 0 241.379 0.866 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884039390 591821293 /nfs/dbraw/zinc/82/12/93/591821293.db2.gz MZCXBXPKUIIHQY-SNVBAGLBSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000884199156 591872341 /nfs/dbraw/zinc/87/23/41/591872341.db2.gz QVSBQPVDQBYVRJ-NEPJUHHUSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000884241919 591879111 /nfs/dbraw/zinc/87/91/11/591879111.db2.gz FVBLYBOIXGVCDE-QWRGUYRKSA-N 2 0 227.352 0.474 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000884244205 591880360 /nfs/dbraw/zinc/88/03/60/591880360.db2.gz AIZWGNMGBZHNCI-UTUOFQBUSA-N 2 0 241.379 0.816 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000884244203 591881068 /nfs/dbraw/zinc/88/10/68/591881068.db2.gz AIZWGNMGBZHNCI-SRVKXCTJSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H](C)CC[NH3+] ZINC000884245432 591881985 /nfs/dbraw/zinc/88/19/85/591881985.db2.gz VXCJOOJWIJLCEW-ZJUUUORDSA-N 2 0 229.368 0.849 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000884372474 591918387 /nfs/dbraw/zinc/91/83/87/591918387.db2.gz NWCLMZDAGOUFGD-AXFHLTTASA-N 2 0 229.368 0.863 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)NCC1=CC[NH2+]CC1 ZINC000884253494 591885000 /nfs/dbraw/zinc/88/50/00/591885000.db2.gz MCWAIXHTGPMGPT-NSHDSACASA-N 2 0 223.320 0.150 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000884254766 591885643 /nfs/dbraw/zinc/88/56/43/591885643.db2.gz RJLKTRRLYNESMW-SRVKXCTJSA-N 2 0 241.379 0.735 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000884273579 591889500 /nfs/dbraw/zinc/88/95/00/591889500.db2.gz SQXFBTOPWVSTCZ-TUAOUCFPSA-N 2 0 241.379 0.877 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H](C)[NH3+] ZINC000884274562 591890184 /nfs/dbraw/zinc/89/01/84/591890184.db2.gz PEEJLEKTEPUSOJ-BDAKNGLRSA-N 2 0 201.314 0.084 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000884279328 591892205 /nfs/dbraw/zinc/89/22/05/591892205.db2.gz IJYZFGHSOZGWJE-WCQYABFASA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884277405 591892361 /nfs/dbraw/zinc/89/23/61/591892361.db2.gz NTOZMVJXAFPPGR-VXGBXAGGSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884279559 591892414 /nfs/dbraw/zinc/89/24/14/591892414.db2.gz OEABTESGRLJNHZ-PWSUYJOCSA-N 2 0 225.336 0.311 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884286473 591893382 /nfs/dbraw/zinc/89/33/82/591893382.db2.gz FJKMDFWNUAVHNI-RYUDHWBXSA-N 2 0 239.363 0.844 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000884292694 591896219 /nfs/dbraw/zinc/89/62/19/591896219.db2.gz IYEOYKALDJFKKV-GUBZILKMSA-N 2 0 243.326 0.048 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884296343 591896822 /nfs/dbraw/zinc/89/68/22/591896822.db2.gz VKHBUWPLUATVLT-WPRPVWTQSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884297336 591898027 /nfs/dbraw/zinc/89/80/27/591898027.db2.gz OTSWOCFSZMYOQD-XHNCKOQMSA-N 2 0 213.325 0.084 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884297334 591898096 /nfs/dbraw/zinc/89/80/96/591898096.db2.gz OTSWOCFSZMYOQD-CIUDSAMLSA-N 2 0 213.325 0.084 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000884297873 591898574 /nfs/dbraw/zinc/89/85/74/591898574.db2.gz YSZRCQHKOLCHJE-BBBLOLIVSA-N 2 0 215.341 0.472 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884302399 591899446 /nfs/dbraw/zinc/89/94/46/591899446.db2.gz PYLHCTYIHUNFGE-GMTAPVOTSA-N 2 0 225.336 0.357 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884302626 591899592 /nfs/dbraw/zinc/89/95/92/591899592.db2.gz VDZLCOLDGQPHJJ-WDEREUQCSA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884302624 591899660 /nfs/dbraw/zinc/89/96/60/591899660.db2.gz VDZLCOLDGQPHJJ-MNOVXSKESA-N 2 0 239.363 0.618 20 0 BCADRP CN(C(=O)[C@@H]([NH3+])CC1CC1)[C@@H](C[NH3+])C1CC1 ZINC000884338622 591905443 /nfs/dbraw/zinc/90/54/43/591905443.db2.gz NVAOMGVHDZJUEA-QWRGUYRKSA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@H]([NH3+])CC1CC1)C1CCCC1 ZINC000884336888 591905484 /nfs/dbraw/zinc/90/54/84/591905484.db2.gz ZGXUDLVBTKDXLW-NEPJUHHUSA-N 2 0 239.363 0.748 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000884338510 591905754 /nfs/dbraw/zinc/90/57/54/591905754.db2.gz KCEJRMXBDQGDAW-NWDGAFQWSA-N 2 0 241.379 0.816 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C1([NH3+])CCCC1 ZINC000884348232 591910139 /nfs/dbraw/zinc/91/01/39/591910139.db2.gz RLSVFWRHQWYXEF-BDAKNGLRSA-N 2 0 225.336 0.500 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884358139 591912648 /nfs/dbraw/zinc/91/26/48/591912648.db2.gz LOHMGMJMYFGAKA-XKNYDFJKSA-N 2 0 225.336 0.226 20 0 BCADRP C[C@@H](C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C)[NH+](C)C ZINC000884358115 591912857 /nfs/dbraw/zinc/91/28/57/591912857.db2.gz LKKVIHOECJZKDI-CIUDSAMLSA-N 2 0 213.325 0.179 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C)[NH+](C)C ZINC000884358858 591912990 /nfs/dbraw/zinc/91/29/90/591912990.db2.gz ZNUCGPISUYEMDO-DCAQKATOSA-N 2 0 241.379 0.815 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884359338 591913283 /nfs/dbraw/zinc/91/32/83/591913283.db2.gz ICRDKISZTPTPKU-XHNCKOQMSA-N 2 0 213.325 0.356 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884360312 591913921 /nfs/dbraw/zinc/91/39/21/591913921.db2.gz YFAZLZIPFJOPCK-XHNCKOQMSA-N 2 0 213.325 0.212 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000884360733 591914579 /nfs/dbraw/zinc/91/45/79/591914579.db2.gz FYIWPNXFQYQYDD-GMTAPVOTSA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000884360734 591914680 /nfs/dbraw/zinc/91/46/80/591914680.db2.gz FYIWPNXFQYQYDD-HBNTYKKESA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@@H]1[NH3+] ZINC000884363083 591915537 /nfs/dbraw/zinc/91/55/37/591915537.db2.gz XCUVIPBKGCQASJ-XFWSIPNHSA-N 2 0 225.336 0.356 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000884363705 591916640 /nfs/dbraw/zinc/91/66/40/591916640.db2.gz HENXZPOEWZIRPR-IVZWLZJFSA-N 2 0 223.320 0.276 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884372576 591918622 /nfs/dbraw/zinc/91/86/22/591918622.db2.gz PLRRPZHNTOPXSM-OYNCUSHFSA-N 2 0 213.325 0.356 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884371983 591918814 /nfs/dbraw/zinc/91/88/14/591918814.db2.gz CWCHLJOKEZHYHM-IVZWLZJFSA-N 2 0 227.352 0.474 20 0 BCADRP [NH3+]CC1(CCNC(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884384643 591921733 /nfs/dbraw/zinc/92/17/33/591921733.db2.gz SIGYAHLVCJNBLT-SNVBAGLBSA-N 2 0 225.336 0.359 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884390294 591923345 /nfs/dbraw/zinc/92/33/45/591923345.db2.gz SGSXBCOCFNEAKN-MXWKQRLJSA-N 2 0 239.363 0.570 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000884415021 591927589 /nfs/dbraw/zinc/92/75/89/591927589.db2.gz JJFNEXCUKWUCMJ-RUETXSTFSA-N 2 0 237.347 0.100 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000884422200 591930078 /nfs/dbraw/zinc/93/00/78/591930078.db2.gz PLAKDXHLIBCVMS-BXKDBHETSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884444572 591936597 /nfs/dbraw/zinc/93/65/97/591936597.db2.gz OPDCSQFOYYUBNU-DTWKUNHWSA-N 2 0 213.325 0.038 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000884445260 591936671 /nfs/dbraw/zinc/93/66/71/591936671.db2.gz IMFLHHTZVIDYLH-AXFHLTTASA-N 2 0 227.352 0.487 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884444573 591936945 /nfs/dbraw/zinc/93/69/45/591936945.db2.gz OPDCSQFOYYUBNU-IUCAKERBSA-N 2 0 213.325 0.038 20 0 BCADRP C[NH+](C)C[C@@](C)(O)C[NH2+][C@H]1CCCSC1 ZINC000134816164 591951802 /nfs/dbraw/zinc/95/18/02/591951802.db2.gz PFLSFZJEYDWGAS-QWRGUYRKSA-N 2 0 232.393 0.784 20 0 BCADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CCCSC1 ZINC000134816141 591952312 /nfs/dbraw/zinc/95/23/12/591952312.db2.gz PFLSFZJEYDWGAS-WDEREUQCSA-N 2 0 232.393 0.784 20 0 BCADRP C([NH2+][C@H]1CCOC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000216291368 592016977 /nfs/dbraw/zinc/01/69/77/592016977.db2.gz PCWHBXFTWOPZJW-QWRGUYRKSA-N 2 0 210.321 0.849 20 0 BCADRP Cc1c[nH+]ccc1NCC[N@H+](C)CCO ZINC000884825090 592023618 /nfs/dbraw/zinc/02/36/18/592023618.db2.gz DPQHJPGHFAOJNV-UHFFFAOYSA-N 2 0 209.293 0.148 20 0 BCADRP [NH3+]C1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000886827256 592351060 /nfs/dbraw/zinc/35/10/60/592351060.db2.gz HVBQGOMQELWKBU-ZYHUDNBSSA-N 2 0 210.321 0.836 20 0 BCADRP C([C@H]1C[C@@]12CCOC2)[N@@H+]1CCC[NH2+]CC1 ZINC000886827414 592351916 /nfs/dbraw/zinc/35/19/16/592351916.db2.gz KOQXJBUGLPWJOZ-VXGBXAGGSA-N 2 0 210.321 0.708 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886828195 592352316 /nfs/dbraw/zinc/35/23/16/592352316.db2.gz ZABDFWCUDOHTHV-RWMBFGLXSA-N 2 0 224.348 0.954 20 0 BCADRP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2C[C@]23CCOC3)CCCO1 ZINC000886839915 592359823 /nfs/dbraw/zinc/35/98/23/592359823.db2.gz OPCWVGPRIMSHBO-XQQFMLRXSA-N 2 0 240.347 0.463 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@@]23CCOC3)C[C@H]1C[NH3+] ZINC000886841825 592362307 /nfs/dbraw/zinc/36/23/07/592362307.db2.gz XBXHDDWOULTSLG-FVCCEPFGSA-N 2 0 224.348 0.940 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1C[C@@]12CCOC2 ZINC000886841379 592362815 /nfs/dbraw/zinc/36/28/15/592362815.db2.gz JNKWDWIGOHQTJC-CHWSQXEVSA-N 2 0 242.363 0.581 20 0 BCADRP CC(C)([NH2+]CCC[NH3+])C(=O)N1CCCC1 ZINC000886857877 592369794 /nfs/dbraw/zinc/36/97/94/592369794.db2.gz DIXZFBQHLWSFDA-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886860114 592371668 /nfs/dbraw/zinc/37/16/68/592371668.db2.gz RTTLMQNGHHJOBX-NWDGAFQWSA-N 2 0 228.336 0.463 20 0 BCADRP CCC1([NH+]2CCC2)CCN(CC[NH3+])CC1 ZINC000886859729 592372697 /nfs/dbraw/zinc/37/26/97/592372697.db2.gz CIRQYOOTDGVXOC-UHFFFAOYSA-N 2 0 211.353 0.895 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCC2CC2)C1 ZINC000887349801 592485303 /nfs/dbraw/zinc/48/53/03/592485303.db2.gz JJHFDXJUVRVBLE-NSHDSACASA-N 2 0 224.352 0.852 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCC(F)F)C1 ZINC000887354209 592487005 /nfs/dbraw/zinc/48/70/05/592487005.db2.gz UHERWONSQYXOSS-QMMMGPOBSA-N 2 0 234.294 0.707 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)NCC[NH+]1CCCCC1 ZINC000302683925 592551721 /nfs/dbraw/zinc/55/17/21/592551721.db2.gz QSLSVNAPNBRWQL-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP Cn1cnc(CCC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000925702369 634378521 /nfs/dbraw/zinc/37/85/21/634378521.db2.gz BWGCDQJQPVYGPC-MNOVXSKESA-N 2 0 249.362 0.607 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925703508 634382828 /nfs/dbraw/zinc/38/28/28/634382828.db2.gz GNANMMYTHPAFAD-WTPNQPAHSA-N 2 0 235.375 0.842 20 0 BCADRP C(C[NH2+][C@H]1CNCCOC1)C[C@H]1CCC[NH2+]1 ZINC000925705161 634385787 /nfs/dbraw/zinc/38/57/87/634385787.db2.gz IBNNACODVYJZOG-NEPJUHHUSA-N 2 0 227.352 0.097 20 0 BCADRP C(C[NH2+][C@@H]1CNCCOC1)C[C@H]1CCC[NH2+]1 ZINC000925705164 634387055 /nfs/dbraw/zinc/38/70/55/634387055.db2.gz IBNNACODVYJZOG-VXGBXAGGSA-N 2 0 227.352 0.097 20 0 BCADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C12CCC2 ZINC000925709732 634406502 /nfs/dbraw/zinc/40/65/02/634406502.db2.gz QCZXZNQTYCGKIS-WOPDTQHZSA-N 3 0 235.375 0.988 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C12CCC2 ZINC000925709728 634407009 /nfs/dbraw/zinc/40/70/09/634407009.db2.gz QCZXZNQTYCGKIS-IJLUTSLNSA-N 3 0 235.375 0.988 20 0 BCADRP COC[C@@H](CC[NH2+][C@H]1CC[NH2+]C12CCC2)OC ZINC000925713187 634414110 /nfs/dbraw/zinc/41/41/10/634414110.db2.gz KSMFFSAFMCRNDM-NEPJUHHUSA-N 2 0 242.363 0.912 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1N[C@H]1CC12CC[NH2+]CC2 ZINC000925712444 634414507 /nfs/dbraw/zinc/41/45/07/634414507.db2.gz UWXSDFYYKBRDNS-QWRGUYRKSA-N 2 0 223.364 0.859 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCCCC[C@@H]1CO ZINC000124775483 634432906 /nfs/dbraw/zinc/43/29/06/634432906.db2.gz DGBLSRBJCWJEGF-LLVKDONJSA-N 2 0 200.326 0.833 20 0 BCADRP CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001027070472 634435654 /nfs/dbraw/zinc/43/56/54/634435654.db2.gz RRRGQPNZPMBAHV-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000925714748 634432241 /nfs/dbraw/zinc/43/22/41/634432241.db2.gz WBMZQJBCIQILKP-BBBLOLIVSA-N 2 0 225.336 0.371 20 0 BCADRP C[N@@H+]1CCC[C@H]1CN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925716577 634449281 /nfs/dbraw/zinc/44/92/81/634449281.db2.gz AJUJMBSUYJVSBI-TUAOUCFPSA-N 2 0 223.364 0.940 20 0 BCADRP Cn1nccc1CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931436841 634452815 /nfs/dbraw/zinc/45/28/15/634452815.db2.gz NEPHHTDSTROQBV-OLZOCXBDSA-N 2 0 248.374 0.846 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335516310 634481953 /nfs/dbraw/zinc/48/19/53/634481953.db2.gz UOTVIZLPPJBJFF-YPMHNXCESA-N 2 0 237.347 0.341 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335626090 634500183 /nfs/dbraw/zinc/50/01/83/634500183.db2.gz XOETWSDXJZOUGA-STQMWFEESA-N 2 0 239.363 0.858 20 0 BCADRP [NH3+][C@@H](C(=O)N1CC[C@]2(CCC[NH2+]2)C1)C1CCC1 ZINC000335638355 634502898 /nfs/dbraw/zinc/50/28/98/634502898.db2.gz KGHJXGZJWAVPED-DGCLKSJQSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+][C@H](C(=O)N1CC[C@]2(CCC[NH2+]2)C1)C1CCC1 ZINC000335638356 634503514 /nfs/dbraw/zinc/50/35/14/634503514.db2.gz KGHJXGZJWAVPED-WCQYABFASA-N 2 0 237.347 0.468 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335641842 634504410 /nfs/dbraw/zinc/50/44/10/634504410.db2.gz WVJNFKAFDDXEAM-KOLCDFICSA-N 2 0 211.309 0.078 20 0 BCADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335642135 634504801 /nfs/dbraw/zinc/50/48/01/634504801.db2.gz YLDFENXKTVWMNC-PWSUYJOCSA-N 2 0 223.320 0.093 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335640749 634504951 /nfs/dbraw/zinc/50/49/51/634504951.db2.gz SMPYTISUHHEYFQ-CMPLNLGQSA-N 2 0 225.336 0.468 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093461551 634545997 /nfs/dbraw/zinc/54/59/97/634545997.db2.gz SYTZTTPEDPDUTP-QNWHQSFQSA-N 2 0 242.363 0.504 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663012108 634555906 /nfs/dbraw/zinc/55/59/06/634555906.db2.gz UDEGMVHKAFVLOW-LLVKDONJSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000423312413 634578316 /nfs/dbraw/zinc/57/83/16/634578316.db2.gz VCYVMEOQHGVFEL-PSASIEDQSA-N 2 0 208.309 0.972 20 0 BCADRP CC1(C)CO[C@H](CC[NH2+][C@H]2CNCCOC2)C1 ZINC000925775454 635249649 /nfs/dbraw/zinc/24/96/49/635249649.db2.gz QLLZZXINEZXTBO-NWDGAFQWSA-N 2 0 242.363 0.770 20 0 BCADRP COC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC000219297589 635273945 /nfs/dbraw/zinc/27/39/45/635273945.db2.gz GVPGTVUYJRBCTL-WVMKXHBISA-N 2 0 242.363 0.863 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810883 635366017 /nfs/dbraw/zinc/36/60/17/635366017.db2.gz BUGUHORLQNIJPX-WDEREUQCSA-N 2 0 229.368 0.423 20 0 BCADRP CCO[C@H](CN[C@@H]1CCC[NH2+][C@@H]1C)C[NH+](C)C ZINC000925837300 635495377 /nfs/dbraw/zinc/49/53/77/635495377.db2.gz PCSBXTJSMDFGCV-JHJVBQTASA-N 2 0 243.395 0.683 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000036192170 635494668 /nfs/dbraw/zinc/49/46/68/635494668.db2.gz QSMZFQJLZAGAJR-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H]([NH2+]CC[C@@H]1CNC(=O)C1)[C@@H]1CCC[NH2+]1 ZINC000925840335 635505023 /nfs/dbraw/zinc/50/50/23/635505023.db2.gz VDXZKOASDBRJKD-DCAQKATOSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+][C@H]1CCC[C@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841966 635506522 /nfs/dbraw/zinc/50/65/22/635506522.db2.gz VDRRLWGSIDLMJK-UMSGYPCISA-N 2 0 223.364 0.988 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000054129030 635554482 /nfs/dbraw/zinc/55/44/82/635554482.db2.gz MZELCNBXMYEWKA-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000925875359 635597679 /nfs/dbraw/zinc/59/76/79/635597679.db2.gz RPYDSQRFODMXTF-SRVKXCTJSA-N 2 0 228.336 0.509 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880400 635607567 /nfs/dbraw/zinc/60/75/67/635607567.db2.gz RACLPZADDKQIOC-WOPDTQHZSA-N 3 0 229.368 0.457 20 0 BCADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000925881226 635608969 /nfs/dbraw/zinc/60/89/69/635608969.db2.gz ZVVKSAXOVDCTOX-WYUUTHIRSA-N 3 0 211.353 0.701 20 0 BCADRP CC(C)CNC(=[NH2+])NCC[NH+]1CCCC1 ZINC000054133738 635610454 /nfs/dbraw/zinc/61/04/54/635610454.db2.gz FUFJZLRCPVFEIF-UHFFFAOYSA-N 2 0 212.341 0.852 20 0 BCADRP Cn1nccc1[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000925888919 635614855 /nfs/dbraw/zinc/61/48/55/635614855.db2.gz HCHGEHSXYVAZRL-JBLDHEPKSA-N 2 0 238.335 0.313 20 0 BCADRP CNC(=O)CC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933743355 631502436 /nfs/dbraw/zinc/50/24/36/631502436.db2.gz OFBBCKAISKJSNQ-CMPLNLGQSA-N 2 0 225.336 0.006 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000891961853 631638565 /nfs/dbraw/zinc/63/85/65/631638565.db2.gz JYAXJNNKWGVVQY-XYPYZODXSA-N 2 0 242.367 0.413 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NCCC[NH2+]C1CC1 ZINC000891968644 631654975 /nfs/dbraw/zinc/65/49/75/631654975.db2.gz UYMAYZRSLSZRJU-UHFFFAOYSA-N 2 0 242.367 0.555 20 0 BCADRP CC[NH2+]CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000308816742 631666999 /nfs/dbraw/zinc/66/69/99/631666999.db2.gz AUIFFWYUOFXOJW-SNVBAGLBSA-N 2 0 201.314 0.086 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000892101926 631728620 /nfs/dbraw/zinc/72/86/20/631728620.db2.gz GTJXBLNYYDGSMF-NXEZZACHSA-N 2 0 242.367 0.411 20 0 BCADRP [NH3+]C/C=C/CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892121498 631735556 /nfs/dbraw/zinc/73/55/56/631735556.db2.gz HFHVRCRLEQGCEN-ATOIVCMTSA-N 2 0 238.335 0.037 20 0 BCADRP [NH3+]C/C=C\CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892121500 631736150 /nfs/dbraw/zinc/73/61/50/631736150.db2.gz HFHVRCRLEQGCEN-SYCYMAOGSA-N 2 0 238.335 0.037 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCC(C)(C)[NH3+] ZINC000892198891 631777875 /nfs/dbraw/zinc/77/78/75/631777875.db2.gz QJUJXEMVJICEMX-RKDXNWHRSA-N 2 0 230.356 0.539 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000044646743 631819346 /nfs/dbraw/zinc/81/93/46/631819346.db2.gz MMSZGMVAMVSWIH-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000309316683 631991325 /nfs/dbraw/zinc/99/13/25/631991325.db2.gz YWTQWQHGPPXNGH-TUAOUCFPSA-N 2 0 228.336 0.068 20 0 BCADRP CN(C)C(=O)C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000051919000 632011751 /nfs/dbraw/zinc/01/17/51/632011751.db2.gz GYHRMVXVMKEKQG-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP CC(C)NC(=[NH2+])NCCCC[NH+](C)C ZINC000052044061 632050706 /nfs/dbraw/zinc/05/07/06/632050706.db2.gz UDKALPKJBSEUIK-UHFFFAOYSA-N 2 0 200.330 0.851 20 0 BCADRP CCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000052042166 632053668 /nfs/dbraw/zinc/05/36/68/632053668.db2.gz SDRMZOVAGKFVKC-SNVBAGLBSA-N 2 0 224.352 0.995 20 0 BCADRP O=C(C[NH2+]CC1CC1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877399229 635698066 /nfs/dbraw/zinc/69/80/66/635698066.db2.gz KVDDSPJAFMKYEO-DGCLKSJQSA-N 2 0 237.347 0.387 20 0 BCADRP CCN(CC)C(=O)CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000155887670 632118717 /nfs/dbraw/zinc/11/87/17/632118717.db2.gz UPGQKKHIQHKMPX-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000841851782 635797864 /nfs/dbraw/zinc/79/78/64/635797864.db2.gz XGGRQWZZNZBGKG-HBNTYKKESA-N 2 0 242.367 0.506 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000309527233 632471194 /nfs/dbraw/zinc/47/11/94/632471194.db2.gz BDDROSUITLWHFJ-VHSXEESVSA-N 2 0 213.325 0.100 20 0 BCADRP CC1(C(=O)NCCC2CC[NH2+]CC2)C[NH2+]C1 ZINC000653273067 632664326 /nfs/dbraw/zinc/66/43/26/632664326.db2.gz NGAQDXXBGUIHHG-UHFFFAOYSA-N 2 0 225.336 0.102 20 0 BCADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000310223036 632709270 /nfs/dbraw/zinc/70/92/70/632709270.db2.gz XLHFCEVFADMQNC-UTUOFQBUSA-N 2 0 241.379 0.973 20 0 BCADRP COCC[C@H](COC)[NH2+]CC1CC[NH+](C)CC1 ZINC000310373358 632734129 /nfs/dbraw/zinc/73/41/29/632734129.db2.gz YNURDPDTEVWWPC-CYBMUJFWSA-N 2 0 244.379 0.969 20 0 BCADRP CCNC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000052042163 632780329 /nfs/dbraw/zinc/78/03/29/632780329.db2.gz KMOHXNMRNOISEK-SECBINFHSA-N 2 0 210.325 0.605 20 0 BCADRP CC(C)CNC(=[NH2+])NC[C@H]1CC[N@H+](C)C1 ZINC000052042207 632780668 /nfs/dbraw/zinc/78/06/68/632780668.db2.gz RACBXNNMEFYFIG-SNVBAGLBSA-N 2 0 212.341 0.708 20 0 BCADRP CC(C)CNC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 ZINC000052042205 632780749 /nfs/dbraw/zinc/78/07/49/632780749.db2.gz RACBXNNMEFYFIG-JTQLQIEISA-N 2 0 212.341 0.708 20 0 BCADRP CCNC(=[NH2+])NCC[NH+]1CCC(C)CC1 ZINC000052043176 632781925 /nfs/dbraw/zinc/78/19/25/632781925.db2.gz XXHXQENYMPXYSE-UHFFFAOYSA-N 2 0 212.341 0.852 20 0 BCADRP C[NH+]1CCC(CNC(=[NH2+])NC2CC2)CC1 ZINC000052044659 632782361 /nfs/dbraw/zinc/78/23/61/632782361.db2.gz FHIHRIIHERKSRX-UHFFFAOYSA-N 2 0 210.325 0.605 20 0 BCADRP C[C@H]([NH2+]CCC[NH+](C)C)C(C)(C)CO ZINC000924541603 632791414 /nfs/dbraw/zinc/79/14/14/632791414.db2.gz VUPBFZHGSYAAOF-JTQLQIEISA-N 2 0 202.342 0.935 20 0 BCADRP CC(C)[NH2+]Cc1cn(CC[NH+](C)C)nn1 ZINC000052422746 632835750 /nfs/dbraw/zinc/83/57/50/632835750.db2.gz VRKFYUTZCQIWFL-UHFFFAOYSA-N 2 0 211.313 0.338 20 0 BCADRP CCC(CC)[C@H](CNC(=[NH2+])NC)[NH+](C)C ZINC000066245172 632861457 /nfs/dbraw/zinc/86/14/57/632861457.db2.gz FPIHNMBMLIXFIR-JTQLQIEISA-N 2 0 214.357 0.887 20 0 BCADRP CCN(C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000892544140 632946566 /nfs/dbraw/zinc/94/65/66/632946566.db2.gz FROCAYYGEOBBBC-AXFHLTTASA-N 2 0 240.351 0.117 20 0 BCADRP CCN(C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000892544141 632946949 /nfs/dbraw/zinc/94/69/49/632946949.db2.gz FROCAYYGEOBBBC-OUAUKWLOSA-N 2 0 240.351 0.117 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000892549076 632956328 /nfs/dbraw/zinc/95/63/28/632956328.db2.gz MZAVCQSNSUCEMK-LMLFDSFASA-N 2 0 240.351 0.293 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000092135033 632962695 /nfs/dbraw/zinc/96/26/95/632962695.db2.gz LYRBSFKEDCZKFI-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP NC(=O)C1CC[NH+](CCCCCC[NH3+])CC1 ZINC000309411620 633031122 /nfs/dbraw/zinc/03/11/22/633031122.db2.gz GEWNMGIOHLECLD-UHFFFAOYSA-N 2 0 227.352 0.703 20 0 BCADRP C[C@H](C[C@H]1COCCN1)[NH2+][C@@H]1CCN(C)C1 ZINC000166112192 633107760 /nfs/dbraw/zinc/10/77/60/633107760.db2.gz BZDGCWKDRHNOEM-UTUOFQBUSA-N 2 0 227.352 0.047 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C[C@@H](C)[NH3+])C1 ZINC000062972798 633164150 /nfs/dbraw/zinc/16/41/50/633164150.db2.gz BSTOOFSYWNNGAX-MNOVXSKESA-N 2 0 227.352 0.666 20 0 BCADRP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000122302671 633206663 /nfs/dbraw/zinc/20/66/63/633206663.db2.gz SMCCBDBBJSPTQV-GRYCIOLGSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]([NH3+])CNC(=O)c1cccc(C[NH3+])c1 ZINC000309760257 633241429 /nfs/dbraw/zinc/24/14/29/633241429.db2.gz IMSJNENYNRMETL-QMMMGPOBSA-N 2 0 207.277 0.222 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000304334576 635939493 /nfs/dbraw/zinc/93/94/93/635939493.db2.gz ICSFPLKSXOYREI-GHMZBOCLSA-N 2 0 225.336 0.182 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COCO2)CC1(C)C ZINC000894891066 636000660 /nfs/dbraw/zinc/00/06/60/636000660.db2.gz XWBBJIXOWATRQS-WDEREUQCSA-N 2 0 228.336 0.822 20 0 BCADRP CC(C)[C@H]([NH3+])CCN[C@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000665282720 636102329 /nfs/dbraw/zinc/10/23/29/636102329.db2.gz AKWFMPXIGUEEQP-RVMXOQNASA-N 2 0 243.395 0.702 20 0 BCADRP CC[NH2+]CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000309804879 633757006 /nfs/dbraw/zinc/75/70/06/633757006.db2.gz RWIQUNXDJJCJDJ-UHFFFAOYSA-N 2 0 207.277 0.693 20 0 BCADRP C[C@H](O)C[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328524648 633771836 /nfs/dbraw/zinc/77/18/36/633771836.db2.gz IQEWFFPEDNXQEI-CCKSWGLSSA-N 2 0 224.348 0.732 20 0 BCADRP C[C@H](CCO)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328544165 633772675 /nfs/dbraw/zinc/77/26/75/633772675.db2.gz LGWMTSFJKJTVHC-QAWJZHMJSA-N 2 0 210.321 0.343 20 0 BCADRP C[NH+](C)CCCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328550544 633774509 /nfs/dbraw/zinc/77/45/09/633774509.db2.gz SKAILJIURGACJV-OBPIAQAESA-N 2 0 223.364 0.524 20 0 BCADRP CC(C)(CCO)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328561554 633777119 /nfs/dbraw/zinc/77/71/19/633777119.db2.gz GRVZIIJYYGUOOD-OBPIAQAESA-N 2 0 238.375 0.981 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000328568832 633778196 /nfs/dbraw/zinc/77/81/96/633778196.db2.gz PUASLRMYKKLRDM-BTFPBAQTSA-N 3 0 249.402 0.914 20 0 BCADRP CC(C)[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001019774744 633792085 /nfs/dbraw/zinc/79/20/85/633792085.db2.gz GJXWXMSFPSHIDW-RYUDHWBXSA-N 2 0 239.363 0.537 20 0 BCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001020028664 633806039 /nfs/dbraw/zinc/80/60/39/633806039.db2.gz GNSGIIHUSCGVEE-DCAQKATOSA-N 2 0 243.326 0.287 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508156 633819093 /nfs/dbraw/zinc/81/90/93/633819093.db2.gz JILMNUQBSJSZSC-NSHDSACASA-N 2 0 225.336 0.291 20 0 BCADRP CC(C)CNC(=[NH2+])NC[C@H](C)C[NH+](C)C ZINC000308924653 633834510 /nfs/dbraw/zinc/83/45/10/633834510.db2.gz PTBDZPNGPOYBIF-JTQLQIEISA-N 2 0 214.357 0.954 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925511431 633851858 /nfs/dbraw/zinc/85/18/58/633851858.db2.gz MVBUKNHEQSQUCY-VWYCJHECSA-N 2 0 235.335 0.526 20 0 BCADRP CCc1nncn1CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925513250 633856155 /nfs/dbraw/zinc/85/61/55/633856155.db2.gz GLEXMGZZEZVXMJ-GHMZBOCLSA-N 2 0 249.362 0.700 20 0 BCADRP COC[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000053172500 633876820 /nfs/dbraw/zinc/87/68/20/633876820.db2.gz KOXOLHHHAIKFBN-LBPRGKRZSA-N 2 0 229.368 0.248 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)C1CCC([NH3+])CC1 ZINC000309463186 633922084 /nfs/dbraw/zinc/92/20/84/633922084.db2.gz PHHJMJGPXMUQOJ-RTBKNWGFSA-N 2 0 213.325 0.452 20 0 BCADRP NC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309547112 633951512 /nfs/dbraw/zinc/95/15/12/633951512.db2.gz IRTYCOOOXSQVPW-WOPDTQHZSA-N 2 0 211.353 0.927 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C[NH2+]CC ZINC000309823201 634016806 /nfs/dbraw/zinc/01/68/06/634016806.db2.gz GSXFVTXETDGYKD-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP C[C@H](O)[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309984562 634030196 /nfs/dbraw/zinc/03/01/96/634030196.db2.gz CAJJCKJMKDTWEV-AVGNSLFASA-N 2 0 242.363 0.146 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000310325047 634118270 /nfs/dbraw/zinc/11/82/70/634118270.db2.gz AHWICIZRPXENHG-OLZOCXBDSA-N 2 0 241.379 0.114 20 0 BCADRP C[NH+](C)C[C@H](O)CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925607171 634137947 /nfs/dbraw/zinc/13/79/47/634137947.db2.gz AGJFSFKJSVRZBM-IJLUTSLNSA-N 2 0 243.395 0.405 20 0 BCADRP C[NH+](C)C[C@H](O)CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925608894 634144018 /nfs/dbraw/zinc/14/40/18/634144018.db2.gz LLOJKIIOBIQABE-VXGBXAGGSA-N 2 0 241.379 0.173 20 0 BCADRP CCC[N@@H+]1CC[C@@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925613441 634152956 /nfs/dbraw/zinc/15/29/56/634152956.db2.gz RBIXMVCCFWZBBQ-STQMWFEESA-N 2 0 241.379 0.296 20 0 BCADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925667830 634245026 /nfs/dbraw/zinc/24/50/26/634245026.db2.gz SLAORFCXEIABHR-VWYCJHECSA-N 2 0 230.352 0.489 20 0 BCADRP Cn1ncc(CCC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000925677403 634270613 /nfs/dbraw/zinc/27/06/13/634270613.db2.gz PHDDCZRPJJHCIX-RYUDHWBXSA-N 2 0 249.362 0.607 20 0 BCADRP CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925682630 634284734 /nfs/dbraw/zinc/28/47/34/634284734.db2.gz YTLSZXKVVITIGK-UTUOFQBUSA-N 2 0 242.363 0.768 20 0 BCADRP C[NH+](C)[C@@H]1[C@H]2CN(CC[C@@H]3CCC[N@@H+]3C)C[C@H]21 ZINC000931278359 634304227 /nfs/dbraw/zinc/30/42/27/634304227.db2.gz AAOWVWNKCPNLNC-IGQOVBAYSA-N 2 0 237.391 0.963 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CC[NH2+]C1)[NH2+]2 ZINC000925688288 634305486 /nfs/dbraw/zinc/30/54/86/634305486.db2.gz CRECLKWBLYWMIJ-IIRVCBMXSA-N 2 0 209.337 0.467 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C12CCC2 ZINC000925690933 634316546 /nfs/dbraw/zinc/31/65/46/634316546.db2.gz IENNUTNNGKKLEM-IJLUTSLNSA-N 3 0 223.364 0.846 20 0 BCADRP CC(C)[C@H]([NH3+])CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925693628 634330668 /nfs/dbraw/zinc/33/06/68/634330668.db2.gz PZZHVNFHAFGYKX-DVWMECQTSA-N 2 0 223.364 0.556 20 0 BCADRP CC(C)[NH2+]CCCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925694186 634334687 /nfs/dbraw/zinc/33/46/87/634334687.db2.gz RAWKPASQLYFJDJ-YHQUGGNUSA-N 2 0 237.391 0.961 20 0 BCADRP [NH3+][C@@H]1C[C@H](NCC[NH2+]C2CC2)C12CCC2 ZINC000925694272 634334767 /nfs/dbraw/zinc/33/47/67/634334767.db2.gz RPOLBBRGGCDYAF-MNOVXSKESA-N 2 0 209.337 0.598 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)C12CCC2 ZINC000925694339 634338125 /nfs/dbraw/zinc/33/81/25/634338125.db2.gz SZGFGKKZTBIOKH-VXGBXAGGSA-N 3 0 223.364 0.846 20 0 BCADRP O[C@@H]1CCC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925697245 634357407 /nfs/dbraw/zinc/35/74/07/634357407.db2.gz WITAMXZYTZREHN-JXMPTKIVSA-N 2 0 222.332 0.486 20 0 BCADRP [NH3+][C@H](CN[C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925697339 634359934 /nfs/dbraw/zinc/35/99/34/634359934.db2.gz DRYDEQCXRNXLPP-MNOVXSKESA-N 2 0 209.337 0.598 20 0 BCADRP C[C@H](C[NH3+])CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925697715 634360268 /nfs/dbraw/zinc/36/02/68/634360268.db2.gz HPBUGWNYIHXEPP-MNOVXSKESA-N 2 0 211.353 0.846 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925698129 634362870 /nfs/dbraw/zinc/36/28/70/634362870.db2.gz CDPBVVOKNNFBCA-IPBJVQQVSA-N 2 0 235.375 0.842 20 0 BCADRP [NH3+][C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)C1CC1 ZINC000925698528 634365158 /nfs/dbraw/zinc/36/51/58/634365158.db2.gz KJDBODPBTOELHE-OUAUKWLOSA-N 2 0 209.337 0.583 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@H](NCC2C[NH2+]C2)C1 ZINC000925699347 634366511 /nfs/dbraw/zinc/36/65/11/634366511.db2.gz OHFZXIBLYHUVRW-QWRGUYRKSA-N 2 0 211.353 0.701 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1N[C@H]1CC[NH2+]C1(C)C ZINC000925699263 634366662 /nfs/dbraw/zinc/36/66/62/634366662.db2.gz JTGIGXQTYQKVLY-MXWKQRLJSA-N 2 0 211.353 0.715 20 0 BCADRP C1[NH2+][C@@H]2[C@H](N[C@@H]3CCC[NH2+]CC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000925698935 634366852 /nfs/dbraw/zinc/36/68/52/634366852.db2.gz HWYLQRFSHQNBRE-VPCRRHSYSA-N 2 0 235.375 0.715 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925699637 634367716 /nfs/dbraw/zinc/36/77/16/634367716.db2.gz LMFMIPAQYHXFHD-LZRJYULZSA-N 2 0 235.375 0.570 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[NH2+]C1(C)C ZINC000925700047 634367903 /nfs/dbraw/zinc/36/79/03/634367903.db2.gz MYPSSSPGMLUOGZ-GARJFASQSA-N 2 0 211.353 0.857 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000220561823 635127805 /nfs/dbraw/zinc/12/78/05/635127805.db2.gz AGRCTQDKRLDDEB-CHWSQXEVSA-N 2 0 223.364 0.909 20 0 BCADRP C[N@H+](CC1CC[NH+](C)CC1)C1CC(O)C1 ZINC000893571119 635173965 /nfs/dbraw/zinc/17/39/65/635173965.db2.gz JUZWTYCUKPNUDR-UHFFFAOYSA-N 2 0 212.337 0.783 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NCc1cc(N)cc[nH+]1 ZINC000925769071 635190536 /nfs/dbraw/zinc/19/05/36/635190536.db2.gz XYNGCCAIJHRJEJ-LLVKDONJSA-N 2 0 220.320 0.894 20 0 BCADRP CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980406641 635218876 /nfs/dbraw/zinc/21/88/76/635218876.db2.gz QYVHQOXSXIGELU-LBPRGKRZSA-N 2 0 239.363 0.635 20 0 BCADRP CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980406639 635221040 /nfs/dbraw/zinc/22/10/40/635221040.db2.gz QYVHQOXSXIGELU-GFCCVEGCSA-N 2 0 239.363 0.635 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@@H]1C ZINC000925781995 635274129 /nfs/dbraw/zinc/27/41/29/635274129.db2.gz ZSYAWRLENSQGFO-ZEPSMKPISA-N 2 0 223.364 0.713 20 0 BCADRP COC[C@@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000219293214 635274696 /nfs/dbraw/zinc/27/46/96/635274696.db2.gz SAIXYFPOHDTXJT-WVMKXHBISA-N 2 0 242.363 0.599 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[NH2+]C12CCCC2 ZINC000925782073 635275473 /nfs/dbraw/zinc/27/54/73/635275473.db2.gz ZWIKBLJGWKIIIK-UTUOFQBUSA-N 2 0 223.364 0.859 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925783779 635295558 /nfs/dbraw/zinc/29/55/58/635295558.db2.gz GVXGBLFCSABXPK-WOPDTQHZSA-N 3 0 213.369 0.949 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335640752 635886178 /nfs/dbraw/zinc/88/61/78/635886178.db2.gz SMPYTISUHHEYFQ-ZYHUDNBSSA-N 2 0 225.336 0.468 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000304601941 635944862 /nfs/dbraw/zinc/94/48/62/635944862.db2.gz VKXYZYFXQPZLRK-NWDGAFQWSA-N 2 0 228.336 0.069 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870934094 636384953 /nfs/dbraw/zinc/38/49/53/636384953.db2.gz FHWJZQYDAVWLMD-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)C[C@H](CNC(=O)[C@H](C)C[NH3+])[NH+](C)C ZINC000054344000 636427419 /nfs/dbraw/zinc/42/74/19/636427419.db2.gz GZNWZQOXDBWPGW-GHMZBOCLSA-N 2 0 229.368 0.674 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000861642882 636609663 /nfs/dbraw/zinc/60/96/63/636609663.db2.gz JVFGHIFOYNBMOM-ONGXEEELSA-N 2 0 242.367 0.493 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)N(C)CC[NH+](C)C)CC[N@@H+]1C ZINC000925324242 636869317 /nfs/dbraw/zinc/86/93/17/636869317.db2.gz BNZLDTPEBXFYCQ-MNOVXSKESA-N 2 0 242.367 0.282 20 0 BCADRP CNC(=O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322589289 636873276 /nfs/dbraw/zinc/87/32/76/636873276.db2.gz JKYPHUAGNMVVHC-YOGCLGLASA-N 2 0 239.363 0.727 20 0 BCADRP CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC000989796985 636880906 /nfs/dbraw/zinc/88/09/06/636880906.db2.gz UPXWBVNECDUPDL-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP CN(CCC[NH3+])C(=O)CCCCC[NH3+] ZINC000154150820 637034436 /nfs/dbraw/zinc/03/44/36/637034436.db2.gz WQOKGVJPQPVULR-UHFFFAOYSA-N 2 0 201.314 0.313 20 0 BCADRP C[NH+](C)C1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000042166247 637078551 /nfs/dbraw/zinc/07/85/51/637078551.db2.gz VHVUYUGENQEPND-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H]([NH3+])Cn1cc([C@H]2CCCC[NH2+]2)nn1 ZINC000899718921 637127050 /nfs/dbraw/zinc/12/70/50/637127050.db2.gz MOHTZVBBZHWLKI-DTWKUNHWSA-N 2 0 209.297 0.440 20 0 BCADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC)C[C@H]1C)[NH+](C)C ZINC000901010819 637222946 /nfs/dbraw/zinc/22/29/46/637222946.db2.gz HMIFNVQAOKNRDG-UTUOFQBUSA-N 2 0 241.379 0.783 20 0 BCADRP CN1C[C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1=O ZINC000902362823 637299491 /nfs/dbraw/zinc/29/94/91/637299491.db2.gz WEFVISONIMSAEW-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP COC(=O)[C@@]1(F)CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903463613 637365273 /nfs/dbraw/zinc/36/52/73/637365273.db2.gz GVJXJGMRDPEKEG-JFGNBEQYSA-N 2 0 244.310 0.701 20 0 BCADRP C[C@H](O)C[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000903463859 637365635 /nfs/dbraw/zinc/36/56/35/637365635.db2.gz PTGVPHYNCMVDCW-VWYCJHECSA-N 2 0 212.337 0.687 20 0 BCADRP CC[N@@H+](CCC(N)=O)CCC1CC[NH2+]CC1 ZINC000903577641 637373985 /nfs/dbraw/zinc/37/39/85/637373985.db2.gz PJOQRBNBUKEBIK-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP COCC[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722887 637380632 /nfs/dbraw/zinc/38/06/32/637380632.db2.gz FCKABJYDNAMZSL-VXGBXAGGSA-N 2 0 228.336 0.333 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000903788584 637381762 /nfs/dbraw/zinc/38/17/62/637381762.db2.gz OHKJPCYZMRQVBR-MNOVXSKESA-N 2 0 230.352 0.565 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ccn(C)n2)CC[C@H]1C[NH3+] ZINC000903789616 637384480 /nfs/dbraw/zinc/38/44/80/637384480.db2.gz YMZKTABHRMIMSP-MNOVXSKESA-N 2 0 222.336 0.837 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+]Cc2cncc(O)c2)C1 ZINC000904433358 637401188 /nfs/dbraw/zinc/40/11/88/637401188.db2.gz MEWJWNHPALKNLW-WAAGHKOSSA-N 2 0 207.277 0.614 20 0 BCADRP CC(C)(C)[NH2+]CCN[C@@H]1C[NH2+]CC1(C)C ZINC000904462616 637407438 /nfs/dbraw/zinc/40/74/38/637407438.db2.gz XJWGJVJCMJCATN-SNVBAGLBSA-N 2 0 213.369 0.962 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1NC[C@@H]([NH3+])CC(F)F ZINC000904462248 637407538 /nfs/dbraw/zinc/40/75/38/637407538.db2.gz SMRXLMAWZFXPDS-JGVFFNPUSA-N 2 0 221.295 0.557 20 0 BCADRP NOCCC[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000904456932 637419050 /nfs/dbraw/zinc/41/90/50/637419050.db2.gz HYDDFTJVSUHDRN-UHFFFAOYSA-N 2 0 235.331 0.702 20 0 BCADRP [NH3+]CC1CC([NH2+][C@H]2COC[C@H]2C2CC2)C1 ZINC000904476765 637425805 /nfs/dbraw/zinc/42/58/05/637425805.db2.gz RBVUABRHXUNGMZ-XLSSUDTFSA-N 2 0 210.321 0.738 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2COC[C@H]2C2CC2)C1 ZINC000904476941 637427386 /nfs/dbraw/zinc/42/73/86/637427386.db2.gz TZEIPIRXIITETQ-IELRGYKMSA-N 2 0 210.321 0.738 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000904918784 637523698 /nfs/dbraw/zinc/52/36/98/637523698.db2.gz JZHUPQXTHWFRQO-PWSUYJOCSA-N 2 0 227.352 0.844 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000904928932 637531630 /nfs/dbraw/zinc/53/16/30/637531630.db2.gz OGRJFLMGMMARJI-YPMHNXCESA-N 2 0 239.363 0.857 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000904927940 637532010 /nfs/dbraw/zinc/53/20/10/637532010.db2.gz IMXUGTLJIOSLCW-SKDRFNHKSA-N 2 0 229.368 0.994 20 0 BCADRP [NH3+]CCCCc1nc(CC2CC[NH2+]CC2)no1 ZINC000905313299 637741643 /nfs/dbraw/zinc/74/16/43/637741643.db2.gz KXJBJFIEPROXJF-UHFFFAOYSA-N 2 0 238.335 0.893 20 0 BCADRP C[C@H]([NH3+])CCc1nc(CC2CC[NH2+]CC2)no1 ZINC000905315716 637742838 /nfs/dbraw/zinc/74/28/38/637742838.db2.gz XLZCHAUGWYMGSB-VIFPVBQESA-N 2 0 238.335 0.892 20 0 BCADRP CCC[C@@H](O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000905590915 637857552 /nfs/dbraw/zinc/85/75/52/637857552.db2.gz UEIINWIUNZCQIE-CHWSQXEVSA-N 2 0 244.379 0.584 20 0 BCADRP CC1(C)CCN(CC[NH2+]CCC(N)=O)C1 ZINC000905677029 637886429 /nfs/dbraw/zinc/88/64/29/637886429.db2.gz AEFJQWXVMDGRGE-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000906092024 638048171 /nfs/dbraw/zinc/04/81/71/638048171.db2.gz SLAVQAYVLWAXJM-GARJFASQSA-N 2 0 227.352 0.556 20 0 BCADRP Cc1cc(C)n2c(CNC3CC([NH3+])C3)cnc2n1 ZINC000906509529 638182304 /nfs/dbraw/zinc/18/23/04/638182304.db2.gz HTSYEYIPSXYSMQ-UHFFFAOYSA-N 2 0 245.330 0.925 20 0 BCADRP [NH3+]C1CC([NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000906509222 638182339 /nfs/dbraw/zinc/18/23/39/638182339.db2.gz AZWNSJQJQRXALO-UHFFFAOYSA-N 2 0 243.314 0.847 20 0 BCADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000906519300 638187070 /nfs/dbraw/zinc/18/70/70/638187070.db2.gz XVSPKPSUHZJDHM-IYKVGLELSA-N 3 0 209.337 0.454 20 0 BCADRP COC(=O)C1CCC([NH2+][C@H]2C[C@H]([NH3+])C2)CC1 ZINC000906518503 638188653 /nfs/dbraw/zinc/18/86/53/638188653.db2.gz QPNMHQDNWRROQJ-FVDFVZEOSA-N 2 0 226.320 0.798 20 0 BCADRP C[NH+]1CC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC000907762075 638462969 /nfs/dbraw/zinc/46/29/69/638462969.db2.gz ABZFCPLKBCFTHU-UHFFFAOYSA-N 2 0 249.358 0.246 20 0 BCADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH+](C)C ZINC000908347327 638659791 /nfs/dbraw/zinc/65/97/91/638659791.db2.gz PESGNROCZROGFU-LLVKDONJSA-N 2 0 239.363 0.396 20 0 BCADRP C[N@@H+]1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000908350597 638662866 /nfs/dbraw/zinc/66/28/66/638662866.db2.gz ZRBIDHMRCYRRSK-VXGBXAGGSA-N 2 0 249.358 0.245 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)CN(C)C)[C@@H](C)C1 ZINC000910285900 639405288 /nfs/dbraw/zinc/40/52/88/639405288.db2.gz WUEWWILGMMPEMK-NSHDSACASA-N 2 0 227.352 0.491 20 0 BCADRP C[NH2+]C1(C(=O)N2CCC[C@H]([NH3+])C2)CCC1 ZINC000911618542 639681378 /nfs/dbraw/zinc/68/13/78/639681378.db2.gz AYFUDFMLKSGNTH-VIFPVBQESA-N 2 0 211.309 0.078 20 0 BCADRP C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911620058 639683091 /nfs/dbraw/zinc/68/30/91/639683091.db2.gz PAKMFVOTARARCR-ZJUUUORDSA-N 2 0 236.319 0.538 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911622880 639685394 /nfs/dbraw/zinc/68/53/94/639685394.db2.gz JTDUHGLIESNYCD-NEPJUHHUSA-N 2 0 239.363 0.809 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000911623798 639685979 /nfs/dbraw/zinc/68/59/79/639685979.db2.gz GOCBTPWMQSILEE-LBPRGKRZSA-N 2 0 239.363 0.809 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000911628280 639687475 /nfs/dbraw/zinc/68/74/75/639687475.db2.gz LMFKJGDGJIIKPZ-ONGXEEELSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000911628278 639688004 /nfs/dbraw/zinc/68/80/04/639688004.db2.gz LMFKJGDGJIIKPZ-KOLCDFICSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NC1CC[NH2+]CC1 ZINC000911629064 639690233 /nfs/dbraw/zinc/69/02/33/639690233.db2.gz SOGQJFYAIPCCJO-JTQLQIEISA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]CCNC(=O)CCCCC1CC[NH2+]CC1 ZINC000911629163 639690250 /nfs/dbraw/zinc/69/02/50/639690250.db2.gz FPKYLBJMOCUGGX-UHFFFAOYSA-N 2 0 227.352 0.621 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)C12CCC(CC1)[NH2+]2 ZINC000911672168 639697995 /nfs/dbraw/zinc/69/79/95/639697995.db2.gz AZJBNMMQPLGYDR-YZRBJQDESA-N 2 0 223.320 0.139 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911672397 639699422 /nfs/dbraw/zinc/69/94/22/639699422.db2.gz DNNVXMWGYUINPT-GARJFASQSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]CCCNC(=O)c1cccc2c1OCC[NH2+]C2 ZINC000911647483 639700966 /nfs/dbraw/zinc/70/09/66/639700966.db2.gz CYBOSLLKEOQTFL-UHFFFAOYSA-N 2 0 249.314 0.247 20 0 BCADRP C[C@@]1(C(=O)Nc2cccc(C[NH3+])c2)C[C@@H](O)C[NH2+]1 ZINC000911649539 639705569 /nfs/dbraw/zinc/70/55/69/639705569.db2.gz VCCWLLAFZOJVMV-YPMHNXCESA-N 2 0 249.314 0.197 20 0 BCADRP Cc1ncc2n1C[C@H](C(=O)N1CC[NH2+]CC1)CC2 ZINC000911648122 639705599 /nfs/dbraw/zinc/70/55/99/639705599.db2.gz IUISFEZGGXIUHY-LLVKDONJSA-N 2 0 248.330 0.186 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911651886 639708377 /nfs/dbraw/zinc/70/83/77/639708377.db2.gz GPZJXGHVSVPXPQ-PWSUYJOCSA-N 2 0 227.352 0.557 20 0 BCADRP [NH3+]Cc1ccccc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911652398 639710765 /nfs/dbraw/zinc/71/07/65/639710765.db2.gz QOKIPWMMBSBMRU-SNVBAGLBSA-N 2 0 219.288 0.319 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000911656198 639711552 /nfs/dbraw/zinc/71/15/52/639711552.db2.gz KVWSXAMRXHSPQZ-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000911656274 639712691 /nfs/dbraw/zinc/71/26/91/639712691.db2.gz MOJKMZKUGPEOKA-ZDUSSCGKSA-N 2 0 241.379 0.819 20 0 BCADRP [NH3+]Cc1ccccc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911674225 639713771 /nfs/dbraw/zinc/71/37/71/639713771.db2.gz RCIHEEZYMVZKLJ-NSHDSACASA-N 2 0 233.315 0.627 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000911675751 639718417 /nfs/dbraw/zinc/71/84/17/639718417.db2.gz FJCJIOCNLAKUQQ-LLVKDONJSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+]CCCCC(=O)NCCC[NH2+]C ZINC000911678741 639720109 /nfs/dbraw/zinc/72/01/09/639720109.db2.gz VHNPGRHOQYEYCZ-UHFFFAOYSA-N 2 0 201.314 0.102 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CC1CC([NH3+])C1 ZINC000911685128 639722221 /nfs/dbraw/zinc/72/22/21/639722221.db2.gz SJFUHTQKOGGMPL-YYJSSNLHSA-N 2 0 239.363 0.842 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC000911687160 639722961 /nfs/dbraw/zinc/72/29/61/639722961.db2.gz DFCFZMUDVPDAHM-JTQLQIEISA-N 2 0 238.335 0.704 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000911689006 639727957 /nfs/dbraw/zinc/72/79/57/639727957.db2.gz YHPJJLQUSAKHLN-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911712639 639739616 /nfs/dbraw/zinc/73/96/16/639739616.db2.gz CJTFCLRFUHHXOG-MDZLAQPJSA-N 2 0 237.347 0.387 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@H]1CCC[NH2+]C1 ZINC000911718190 639743948 /nfs/dbraw/zinc/74/39/48/639743948.db2.gz IPFNAUWQJMBDCK-LMLFDSFASA-N 2 0 225.336 0.086 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000911722095 639746362 /nfs/dbraw/zinc/74/63/62/639746362.db2.gz PMPCCQOZJAZCHO-GRYCIOLGSA-N 2 0 239.363 0.844 20 0 BCADRP CC(C)(C[NH3+])CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000911723120 639746428 /nfs/dbraw/zinc/74/64/28/639746428.db2.gz YTLKLMRKHTYXIC-SNVBAGLBSA-N 2 0 227.352 0.701 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000911725452 639751308 /nfs/dbraw/zinc/75/13/08/639751308.db2.gz UUOSCGQNCXCSDI-RYUDHWBXSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H](NC(=O)C12CC(C1)C[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000911726019 639752532 /nfs/dbraw/zinc/75/25/32/639752532.db2.gz QVDYYXLZRCOEEW-MSLYCWSTSA-N 2 0 237.347 0.243 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911705670 639757803 /nfs/dbraw/zinc/75/78/03/639757803.db2.gz AGLCSOGXBWLJKU-NWDGAFQWSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911705671 639758731 /nfs/dbraw/zinc/75/87/31/639758731.db2.gz AGLCSOGXBWLJKU-RYUDHWBXSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000911708633 639759645 /nfs/dbraw/zinc/75/96/45/639759645.db2.gz XUIZCTWDTDSYOW-QJPTWQEYSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911708846 639759861 /nfs/dbraw/zinc/75/98/61/639759861.db2.gz YMWHDDCCNUSMJZ-GRYCIOLGSA-N 2 0 239.363 0.348 20 0 BCADRP C[C@@H]1C[C@H](C(=O)NC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000911707812 639760273 /nfs/dbraw/zinc/76/02/73/639760273.db2.gz QVTRPQGEXNVLJW-GRYCIOLGSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911706121 639760490 /nfs/dbraw/zinc/76/04/90/639760490.db2.gz DEVVFBKKUYIXJM-QWRGUYRKSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000911708635 639760689 /nfs/dbraw/zinc/76/06/89/639760689.db2.gz XUIZCTWDTDSYOW-SRVKXCTJSA-N 2 0 241.379 0.947 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911707606 639760720 /nfs/dbraw/zinc/76/07/20/639760720.db2.gz NYPLADNZZQPHLR-QJPTWQEYSA-N 2 0 241.379 0.866 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]C1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911707363 639760903 /nfs/dbraw/zinc/76/09/03/639760903.db2.gz NALAARREOGFYJD-GVXVVHGQSA-N 2 0 237.347 0.102 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@H]([NH3+])CC(C)C)C1 ZINC000911735816 639762488 /nfs/dbraw/zinc/76/24/88/639762488.db2.gz MPNJFIYNYYKVBA-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)C1 ZINC000911736182 639763013 /nfs/dbraw/zinc/76/30/13/639763013.db2.gz PSTGCWLCOAROJW-MJDLHHQISA-N 2 0 237.347 0.180 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)C1 ZINC000911735717 639763232 /nfs/dbraw/zinc/76/32/32/639763232.db2.gz LHSGVDUGMPUJOO-GVXVVHGQSA-N 2 0 237.347 0.196 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])C1 ZINC000911737865 639764355 /nfs/dbraw/zinc/76/43/55/639764355.db2.gz DAUCJXQPOGNTPN-HBNTYKKESA-N 2 0 227.352 0.557 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911756048 639773473 /nfs/dbraw/zinc/77/34/73/639773473.db2.gz WQWJRGMICGIXAV-OUAUKWLOSA-N 2 0 225.336 0.372 20 0 BCADRP CC[NH2+]CCNC(=O)CC(C)(C)C[NH3+] ZINC000911750119 639775216 /nfs/dbraw/zinc/77/52/16/639775216.db2.gz FFOGEGNSHKLLPK-UHFFFAOYSA-N 2 0 201.314 0.087 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@H]([NH3+])CC(C)C ZINC000911750346 639775440 /nfs/dbraw/zinc/77/54/40/639775440.db2.gz BBDZGVCBOVCCQQ-SNVBAGLBSA-N 2 0 215.341 0.476 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000911751544 639778929 /nfs/dbraw/zinc/77/89/29/639778929.db2.gz LSXYKROFGMBJMH-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911751564 639779582 /nfs/dbraw/zinc/77/95/82/639779582.db2.gz MDZLPPVWHWGADO-HBNTYKKESA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)NCC[NH2+]C1CC1 ZINC000911752967 639782792 /nfs/dbraw/zinc/78/27/92/639782792.db2.gz VLYLQVZAYHJKDZ-JTQLQIEISA-N 2 0 227.352 0.618 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)C1=CCC[NH2+]CC1 ZINC000911754091 639783747 /nfs/dbraw/zinc/78/37/47/639783747.db2.gz IEXPQMKTZYLWCM-NSHDSACASA-N 2 0 223.320 0.164 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)CC1CC([NH3+])C1 ZINC000911763080 639788306 /nfs/dbraw/zinc/78/83/06/639788306.db2.gz GVWOBEHCZWIQRK-UHFFFAOYSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)C[NH3+] ZINC000911762479 639789370 /nfs/dbraw/zinc/78/93/70/639789370.db2.gz OYMFRIIPDNICEY-SNVBAGLBSA-N 2 0 227.352 0.713 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000911733705 639789919 /nfs/dbraw/zinc/78/99/19/639789919.db2.gz ARMSOBKDXVMOST-MXWKQRLJSA-N 2 0 225.336 0.311 20 0 BCADRP C[NH2+]CCCCC(=O)NC(C)(C)C[NH3+] ZINC000911763422 639792308 /nfs/dbraw/zinc/79/23/08/639792308.db2.gz YAQQFIZMZSETIL-UHFFFAOYSA-N 2 0 201.314 0.230 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911774527 639795881 /nfs/dbraw/zinc/79/58/81/639795881.db2.gz JHTZTDICSLQNAM-GRYCIOLGSA-N 2 0 239.363 0.620 20 0 BCADRP C[NH2+]CC1CCN(C(=O)C23CC(C2)C[NH2+]3)CC1 ZINC000911779116 639797964 /nfs/dbraw/zinc/79/79/64/639797964.db2.gz NZLIAFNBPVWTOH-UHFFFAOYSA-N 2 0 237.347 0.196 20 0 BCADRP CN(C(=O)c1ccccc1C[NH3+])[C@H]1CC[NH2+]C1 ZINC000911782217 639800080 /nfs/dbraw/zinc/80/00/80/639800080.db2.gz FDOPZLBOJHIDPZ-NSHDSACASA-N 2 0 233.315 0.579 20 0 BCADRP CN(C(=O)c1ccccc1C[NH3+])[C@@H]1CC[NH2+]C1 ZINC000911782216 639800538 /nfs/dbraw/zinc/80/05/38/639800538.db2.gz FDOPZLBOJHIDPZ-LLVKDONJSA-N 2 0 233.315 0.579 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N(C)[C@@H](C)C[NH3+] ZINC000911813452 639802293 /nfs/dbraw/zinc/80/22/93/639802293.db2.gz MOWUYUNXEJCOKU-GUBZILKMSA-N 2 0 215.341 0.556 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N(C)[C@H](C)C[NH3+] ZINC000911813451 639802624 /nfs/dbraw/zinc/80/26/24/639802624.db2.gz MOWUYUNXEJCOKU-AEJSXWLSSA-N 2 0 215.341 0.556 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911814941 639803820 /nfs/dbraw/zinc/80/38/20/639803820.db2.gz WJACWHRVAFZLJX-IUCAKERBSA-N 2 0 215.341 0.556 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH3+] ZINC000911814895 639804067 /nfs/dbraw/zinc/80/40/67/639804067.db2.gz VWEOWINTGSZOPM-MNOVXSKESA-N 2 0 227.352 0.665 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911786796 639805062 /nfs/dbraw/zinc/80/50/62/639805062.db2.gz FARSIUBDIXBHPM-VHSXEESVSA-N 2 0 245.392 0.277 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911790133 639807479 /nfs/dbraw/zinc/80/74/79/639807479.db2.gz ZVVKVSUEBFMAQZ-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C[C@H](C)[NH2+]1 ZINC000911797013 639818384 /nfs/dbraw/zinc/81/83/84/639818384.db2.gz PVJJVLNFPIHOFJ-XZUYRWCXSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C[C@@H](C)[NH2+]1 ZINC000911796666 639818553 /nfs/dbraw/zinc/81/85/53/639818553.db2.gz OTNNRMWCGOEXAF-PZWNZHSQSA-N 2 0 237.347 0.051 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000911799323 639820571 /nfs/dbraw/zinc/82/05/71/639820571.db2.gz XHMFPAAGKWVXKK-QCNOEVLYSA-N 2 0 241.379 0.959 20 0 BCADRP [NH3+]CC1(NC(=O)CC2CC([NH3+])C2)CCCC1 ZINC000911799219 639820902 /nfs/dbraw/zinc/82/09/02/639820902.db2.gz GCWOSDIJNHTPLM-UHFFFAOYSA-N 2 0 225.336 0.502 20 0 BCADRP C[C@H]1CN(C(=O)C23CCC(CC2)[NH2+]3)C[C@H](C)[NH2+]1 ZINC000911799389 639821318 /nfs/dbraw/zinc/82/13/18/639821318.db2.gz XTUNYABTCJJYQA-QKIYJJFGSA-N 2 0 237.347 0.480 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(C)(C)C)CC[NH2+]1 ZINC000911810037 639830886 /nfs/dbraw/zinc/83/08/86/639830886.db2.gz KQCOMRLTMIBCOU-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]1CN(C(=O)CCSCCC[NH3+])CC[NH2+]1 ZINC000911809445 639831595 /nfs/dbraw/zinc/83/15/95/639831595.db2.gz JDVIBUUSGVXETN-JTQLQIEISA-N 2 0 245.392 0.279 20 0 BCADRP C[C@@H]1CN(C(=O)C23CCC(CC2)[NH2+]3)CC[NH2+]1 ZINC000911813151 639834434 /nfs/dbraw/zinc/83/44/34/639834434.db2.gz VUCYNQSQBABWOC-GRZMOONWSA-N 2 0 223.320 0.091 20 0 BCADRP C[C@H]1CN(C(=O)C2=CCC[NH2+]CC2)CC[NH2+]1 ZINC000911813229 639835947 /nfs/dbraw/zinc/83/59/47/639835947.db2.gz XRNVMZZDEXWSGU-JTQLQIEISA-N 2 0 223.320 0.117 20 0 BCADRP C[NH2+]CCCCC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000911823668 639837473 /nfs/dbraw/zinc/83/74/73/639837473.db2.gz MKOAMOCYTVFFEB-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC[C@@H]1[NH3+] ZINC000911824379 639837538 /nfs/dbraw/zinc/83/75/38/639837538.db2.gz NPIGHPBNVBTILF-USZNOCQGSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]1CCCN(C(=O)CC(C)(C)C[NH3+])[C@@H]1C[NH3+] ZINC000911823420 639837709 /nfs/dbraw/zinc/83/77/09/639837709.db2.gz KSQQRMOPRZMHBC-GHMZBOCLSA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911827091 639839575 /nfs/dbraw/zinc/83/95/75/639839575.db2.gz RSYICSLDVWURHM-VHSXEESVSA-N 2 0 229.368 0.849 20 0 BCADRP C[NH2+]C1(C(=O)NC[C@H]([NH3+])C(C)C)CCC1 ZINC000911827114 639839386 /nfs/dbraw/zinc/83/93/86/639839386.db2.gz SKDOJHQDAGBRGP-VIFPVBQESA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C1([NH+](C)C)CC1 ZINC000911826503 639839986 /nfs/dbraw/zinc/83/99/86/639839986.db2.gz OIJVIOZRSDADHH-VIFPVBQESA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C1=CCC[NH2+]CC1 ZINC000911829396 639841200 /nfs/dbraw/zinc/84/12/00/639841200.db2.gz ALPOCVPVRKRSJY-CYBMUJFWSA-N 2 0 239.363 0.786 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)NC[C@@H]([NH3+])C(C)C ZINC000911830103 639841669 /nfs/dbraw/zinc/84/16/69/639841669.db2.gz OQQUSKFGFYNLTJ-VHSXEESVSA-N 2 0 247.408 0.556 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911831064 639842272 /nfs/dbraw/zinc/84/22/72/639842272.db2.gz CBPOWVXRPGXOLG-LSCVPOLPSA-N 2 0 239.363 0.332 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000911830689 639842548 /nfs/dbraw/zinc/84/25/48/639842548.db2.gz QTYLLCBXCFFHKD-VWYCJHECSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911831066 639842667 /nfs/dbraw/zinc/84/26/67/639842667.db2.gz CBPOWVXRPGXOLG-XZUYRWCXSA-N 2 0 239.363 0.332 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911833883 639845559 /nfs/dbraw/zinc/84/55/59/639845559.db2.gz SYUREWMIMYDCIC-OQEOFVATSA-N 2 0 239.363 0.459 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000911837156 639846679 /nfs/dbraw/zinc/84/66/79/639846679.db2.gz SNCJNSSPBPYSCD-KOLCDFICSA-N 2 0 247.408 0.556 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000911837157 639847031 /nfs/dbraw/zinc/84/70/31/639847031.db2.gz SNCJNSSPBPYSCD-MWLCHTKSSA-N 2 0 247.408 0.556 20 0 BCADRP C[C@@H]1CN(C(=O)CC(C)(C)C[NH3+])CC[C@@H]1[NH3+] ZINC000911818751 639849851 /nfs/dbraw/zinc/84/98/51/639849851.db2.gz NNQVYOCOUCQERG-ZJUUUORDSA-N 2 0 227.352 0.557 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911858872 639850720 /nfs/dbraw/zinc/85/07/20/639850720.db2.gz WFIULTDNRNFJIW-VWYCJHECSA-N 2 0 239.363 0.476 20 0 BCADRP CN(C(=O)[C@@H]1C[C@@H]1C[NH3+])C1CCC([NH3+])CC1 ZINC000911866674 639851328 /nfs/dbraw/zinc/85/13/28/639851328.db2.gz AWXSJOSJOMDIOS-AGVGLQIMSA-N 2 0 225.336 0.310 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C12CCC(CC1)[NH2+]2 ZINC000911866896 639851454 /nfs/dbraw/zinc/85/14/54/639851454.db2.gz DPNLQRSVMJIEMW-UHFFFAOYSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911867134 639851494 /nfs/dbraw/zinc/85/14/94/639851494.db2.gz GMFQLUGKFDCZFA-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C12CC(C1)C[NH2+]2 ZINC000911870512 639852931 /nfs/dbraw/zinc/85/29/31/639852931.db2.gz NKIOOMBUAFPRKH-QWKFWESOSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+]C1CC(C(=O)N(C)C2CCC([NH3+])CC2)C1 ZINC000911869525 639853224 /nfs/dbraw/zinc/85/32/24/639853224.db2.gz WLQVMPMZNFUVGL-UHFFFAOYSA-N 2 0 239.363 0.713 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)C1=CCC[NH2+]CC1 ZINC000911867530 639853231 /nfs/dbraw/zinc/85/32/31/639853231.db2.gz IMENTVXRYFEZCO-GFCCVEGCSA-N 2 0 237.347 0.507 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)CC(C)(C)C[NH3+] ZINC000911868396 639853286 /nfs/dbraw/zinc/85/32/86/639853286.db2.gz PADUBGRJFGPWBD-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000911868135 639853711 /nfs/dbraw/zinc/85/37/11/639853711.db2.gz MVQUJUQFRVALGV-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000911845141 639854184 /nfs/dbraw/zinc/85/41/84/639854184.db2.gz HLPYJKGEYROCPU-JTQLQIEISA-N 2 0 227.352 0.713 20 0 BCADRP CC(C)([NH3+])CNC(=O)C(F)(F)C1CC[NH2+]CC1 ZINC000911845716 639854468 /nfs/dbraw/zinc/85/44/68/639854468.db2.gz LEYCCHAZUSVYCX-UHFFFAOYSA-N 2 0 249.305 0.475 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911844973 639854786 /nfs/dbraw/zinc/85/47/86/639854786.db2.gz ICSBPBBSRSLEEX-OUAUKWLOSA-N 2 0 237.347 0.052 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1([NH+](C)C)CC1 ZINC000911872342 639854889 /nfs/dbraw/zinc/85/48/89/639854889.db2.gz YGCPYHDAVXEWAC-NSHDSACASA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)([NH3+])CNC(=O)CCSCCC[NH3+] ZINC000911847046 639856640 /nfs/dbraw/zinc/85/66/40/639856640.db2.gz SSUUXAZAGGFBHX-UHFFFAOYSA-N 2 0 233.381 0.312 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000911857347 639859833 /nfs/dbraw/zinc/85/98/33/639859833.db2.gz IEAUDQNAVXNQSN-GHMZBOCLSA-N 2 0 241.379 0.866 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C12CC(C1)C[NH2+]2 ZINC000911856859 639859862 /nfs/dbraw/zinc/85/98/62/639859862.db2.gz COTHIAPFOOFKQP-UHFFFAOYSA-N 2 0 225.336 0.372 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000911880571 639866740 /nfs/dbraw/zinc/86/67/40/639866740.db2.gz NQJMKJRLBZQEKX-UTUOFQBUSA-N 2 0 241.379 0.866 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C12CC(C1)C[NH2+]2 ZINC000911880339 639867286 /nfs/dbraw/zinc/86/72/86/639867286.db2.gz UHVTYMYJBJCOSJ-SQLBVSGCSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]CCCCCCC(=O)N1CC[NH2+]CC1 ZINC000035728217 639875033 /nfs/dbraw/zinc/87/50/33/639875033.db2.gz DXIPFFGIULVKPL-UHFFFAOYSA-N 2 0 213.325 0.327 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000134034767 711480452 /nfs/dbraw/zinc/48/04/52/711480452.db2.gz NSOYPYJLEVVQRO-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435877 640200793 /nfs/dbraw/zinc/20/07/93/640200793.db2.gz FBPOXCKNWIVNCY-XQQFMLRXSA-N 2 0 226.364 0.887 20 0 BCADRP COCCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433084 640201796 /nfs/dbraw/zinc/20/17/96/640201796.db2.gz OSXULEHEGDHBQO-NWDGAFQWSA-N 2 0 212.337 0.906 20 0 BCADRP CC(=O)NCCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931434273 640202290 /nfs/dbraw/zinc/20/22/90/640202290.db2.gz SBDIMSPGIJHXTR-OLZOCXBDSA-N 2 0 239.363 0.396 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC000931440673 640204998 /nfs/dbraw/zinc/20/49/98/640204998.db2.gz WKWFSFLALIRRHK-GRYCIOLGSA-N 2 0 237.347 0.149 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(CC[NH+]3CCCC3)C[C@@H]2C1 ZINC000931441579 640206248 /nfs/dbraw/zinc/20/62/48/640206248.db2.gz KOYGTDHOWGABGV-KGLIPLIRSA-N 2 0 237.391 0.966 20 0 BCADRP Cn1cc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)nn1 ZINC000931440219 640207229 /nfs/dbraw/zinc/20/72/29/640207229.db2.gz RMTCIHXAWLLJSR-MNOVXSKESA-N 2 0 235.335 0.199 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N1CC[NH2+]CC1 ZINC000129468884 640207979 /nfs/dbraw/zinc/20/79/79/640207979.db2.gz TWIPMYVFMFYMKC-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912902721 640246973 /nfs/dbraw/zinc/24/69/73/640246973.db2.gz IQRFBESBJUGXIM-VXGBXAGGSA-N 2 0 237.347 0.387 20 0 BCADRP COCC(COC)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000931548311 640265755 /nfs/dbraw/zinc/26/57/55/640265755.db2.gz IEESKNSQAJRMGQ-AAEUAGOBSA-N 2 0 242.363 0.674 20 0 BCADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cnn(C)n1 ZINC000924854911 640320717 /nfs/dbraw/zinc/32/07/17/640320717.db2.gz NXLDCBLVPOPALK-JTQLQIEISA-N 2 0 225.340 0.808 20 0 BCADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)CO ZINC000931702803 640326913 /nfs/dbraw/zinc/32/69/13/640326913.db2.gz DYDYKTJZSWDPCN-CYBMUJFWSA-N 2 0 244.379 0.538 20 0 BCADRP COC[C@H](C[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2)OC ZINC000931717720 640335195 /nfs/dbraw/zinc/33/51/95/640335195.db2.gz BFOSAYNTGRCWSC-AGIUHOORSA-N 2 0 242.363 0.816 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NCCC[NH3+] ZINC000129504579 640348384 /nfs/dbraw/zinc/34/83/84/640348384.db2.gz GQHZFOIZMCSQDM-QMMMGPOBSA-N 2 0 201.314 0.215 20 0 BCADRP CC[C@H](CO)[NH2+]C/C=C/C[NH2+][C@H](CC)CO ZINC000931771429 640362541 /nfs/dbraw/zinc/36/25/41/640362541.db2.gz JHYIGWYIEHTCOL-IEVRTODYSA-N 2 0 230.352 0.264 20 0 BCADRP CC[C@H](CO)[NH2+]C/C=C\C[NH2+][C@H](CC)CO ZINC000931771428 640363339 /nfs/dbraw/zinc/36/33/39/640363339.db2.gz JHYIGWYIEHTCOL-GKKDLHFNSA-N 2 0 230.352 0.264 20 0 BCADRP CN(C)C(=O)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000044518036 640398945 /nfs/dbraw/zinc/39/89/45/640398945.db2.gz YFRHILWEYDXJRA-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)C(=O)N(C)C ZINC000044518421 640400037 /nfs/dbraw/zinc/40/00/37/640400037.db2.gz QPEYKIFDRYHTOC-SNVBAGLBSA-N 2 0 227.352 0.395 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC000036192190 640402899 /nfs/dbraw/zinc/40/28/99/640402899.db2.gz CKKRDIPBZBTMMX-LLVKDONJSA-N 2 0 227.352 0.522 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044649402 640445760 /nfs/dbraw/zinc/44/57/60/640445760.db2.gz NKTCGZZIQYTECC-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP CC[NH2+]CC(=O)NCCC[NH+](CC)CC ZINC000044646727 640446682 /nfs/dbraw/zinc/44/66/82/640446682.db2.gz JMEFUWMRPWFUFM-UHFFFAOYSA-N 2 0 215.341 0.444 20 0 BCADRP O=C(C[NH2+]CC1CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726837 640461866 /nfs/dbraw/zinc/46/18/66/640461866.db2.gz PFJGARKZIVLQFH-LLVKDONJSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+]Cc1ccc(CN2CCC[NH2+]CC2)cc1 ZINC000058006718 640663494 /nfs/dbraw/zinc/66/34/94/640663494.db2.gz ZQUYUYALURMKPB-UHFFFAOYSA-N 2 0 219.332 0.941 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157780265 640730906 /nfs/dbraw/zinc/73/09/06/640730906.db2.gz OZLZMOJIMVOWRD-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP CC(C)C[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000226102091 640732903 /nfs/dbraw/zinc/73/29/03/640732903.db2.gz PULWXFXFKPYUIL-QWHCGFSZSA-N 2 0 244.379 0.440 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000226328938 640748580 /nfs/dbraw/zinc/74/85/80/640748580.db2.gz XWESNKIIEFVGEG-DTWKUNHWSA-N 2 0 240.269 0.970 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226403723 640761109 /nfs/dbraw/zinc/76/11/09/640761109.db2.gz KGHUYPSDLAIZHM-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP OCCCCCC[N@@H+]1CCC[NH2+]CC1 ZINC000226415889 640764482 /nfs/dbraw/zinc/76/44/82/640764482.db2.gz WNHJNKLZMQCEKA-UHFFFAOYSA-N 2 0 200.326 0.834 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000226741978 640791598 /nfs/dbraw/zinc/79/15/98/640791598.db2.gz YHQUIMLXYOIGFS-HBNTYKKESA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)(C)[NH2+]CCC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000934056161 640808530 /nfs/dbraw/zinc/80/85/30/640808530.db2.gz OZMMPAHFBMYFSY-UHFFFAOYSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)OC[C@@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000158170419 640819233 /nfs/dbraw/zinc/81/92/33/640819233.db2.gz XBRAAYKMEQSXBP-AVGNSLFASA-N 2 0 244.379 0.845 20 0 BCADRP COC(=O)N[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000228270553 640868018 /nfs/dbraw/zinc/86/80/18/640868018.db2.gz QQBNXSILXJEUAR-NSHDSACASA-N 2 0 241.335 0.416 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000230063681 641011426 /nfs/dbraw/zinc/01/14/26/641011426.db2.gz ATGYZQAOLIZDAZ-ZYHUDNBSSA-N 2 0 241.379 0.960 20 0 BCADRP Cn1cc(CC[N@@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000087766635 641020893 /nfs/dbraw/zinc/02/08/93/641020893.db2.gz WWAFGNRJXFRSIE-SNVBAGLBSA-N 2 0 208.309 0.243 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]([NH3+])CCOC ZINC000230711657 641087059 /nfs/dbraw/zinc/08/70/59/641087059.db2.gz SMHHHCZMISJHNY-NSHDSACASA-N 2 0 245.367 0.150 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000234263151 641158733 /nfs/dbraw/zinc/15/87/33/641158733.db2.gz WKUMLTTYBBXUEO-QWHCGFSZSA-N 3 0 243.395 0.672 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000234265038 641159014 /nfs/dbraw/zinc/15/90/14/641159014.db2.gz VXYMKWNXSVIUID-NEPJUHHUSA-N 3 0 229.368 0.282 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000151561956 641396847 /nfs/dbraw/zinc/39/68/47/641396847.db2.gz XUXMZCQTWIBJDZ-WDEREUQCSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](O)[C@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000929703802 641407654 /nfs/dbraw/zinc/40/76/54/641407654.db2.gz UPTIGGGAWNPIFD-SDDRHHMPSA-N 2 0 230.352 0.002 20 0 BCADRP CCC[C@@H](C(=O)NC12CC[NH+](CC1)C2)[NH+](C)C ZINC000913631159 641428739 /nfs/dbraw/zinc/42/87/39/641428739.db2.gz MWWXBYMTTHNLPH-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH+](CC)CC(=O)NC12CC[NH+](CC1)C2 ZINC000913628976 641432059 /nfs/dbraw/zinc/43/20/59/641432059.db2.gz OSYHHFPTRJBNCS-UHFFFAOYSA-N 2 0 225.336 0.293 20 0 BCADRP CCC[N@H+](C)CC(=O)NC12CC[NH+](CC1)C2 ZINC000913630080 641433894 /nfs/dbraw/zinc/43/38/94/641433894.db2.gz XYBRBLIXVVYXFH-UHFFFAOYSA-N 2 0 225.336 0.293 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH3+])c2)C1 ZINC000040715728 641533817 /nfs/dbraw/zinc/53/38/17/641533817.db2.gz BGUDHRSWGHCJFX-ZDUSSCGKSA-N 2 0 247.342 0.969 20 0 BCADRP CC[N@@H+](CC(=O)NC)CC1CC[NH2+]CC1 ZINC000043497646 641566468 /nfs/dbraw/zinc/56/64/68/641566468.db2.gz DHNIHYCHIGQKMX-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP COC[C@@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156104307 641595722 /nfs/dbraw/zinc/59/57/22/641595722.db2.gz JVLXHWZWFXBPOR-TUAOUCFPSA-N 2 0 228.336 0.210 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)CCCCC[NH3+])C1 ZINC000044538791 641604756 /nfs/dbraw/zinc/60/47/56/641604756.db2.gz YINDNJDQXBLLOU-GFCCVEGCSA-N 2 0 241.379 0.964 20 0 BCADRP C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000925408554 641667977 /nfs/dbraw/zinc/66/79/77/641667977.db2.gz QATZVGXGWFNWAX-QWRGUYRKSA-N 2 0 240.351 0.036 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000884036827 641863814 /nfs/dbraw/zinc/86/38/14/641863814.db2.gz IFNJSMBVWPCZGG-VHSXEESVSA-N 2 0 225.336 0.086 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)CCCCC[NH3+])C1 ZINC000154138839 641967474 /nfs/dbraw/zinc/96/74/74/641967474.db2.gz BTZZHSRHWLNQCR-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP CC[NH2+]CCNC(=O)CCCCC[NH3+] ZINC000154141188 641971084 /nfs/dbraw/zinc/97/10/84/641971084.db2.gz UCKLEXILBJLNNV-UHFFFAOYSA-N 2 0 201.314 0.231 20 0 BCADRP CCN1CC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001031440137 642142043 /nfs/dbraw/zinc/14/20/43/642142043.db2.gz QOHRZXPDMFFYKD-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP C[N@H+](CCNC(=O)NC[C@@H]1CC[NH+]1C)C1CC1 ZINC000918182238 642175410 /nfs/dbraw/zinc/17/54/10/642175410.db2.gz WLCOEILSFKLCON-NSHDSACASA-N 2 0 240.351 0.084 20 0 BCADRP CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971200246 642323160 /nfs/dbraw/zinc/32/31/60/642323160.db2.gz FWUGUXJYAGRZIO-NWDGAFQWSA-N 2 0 239.363 0.633 20 0 BCADRP CN(CC[NH3+])C[C@H](O)CC(F)(F)F ZINC000307931432 642347839 /nfs/dbraw/zinc/34/78/39/642347839.db2.gz CBSQHWKXFVJKSM-ZCFIWIBFSA-N 2 0 200.204 0.190 20 0 BCADRP CN1CC[N@H+](C)C[C@@H]1CNC(=[NH2+])NC(C)(C)C ZINC000068808946 642379811 /nfs/dbraw/zinc/37/98/11/642379811.db2.gz IXSUYILAFPQEEL-JTQLQIEISA-N 2 0 241.383 0.145 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]([NH3+])CC1CC1 ZINC000306102912 642721415 /nfs/dbraw/zinc/72/14/15/642721415.db2.gz QJWATIJQOACDME-LBPRGKRZSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]1C[C@@H](NCC2(C)OCCO2)CC[N@@H+]1C ZINC000179573186 642726405 /nfs/dbraw/zinc/72/64/05/642726405.db2.gz AFHYWBFNUMEKCJ-MNOVXSKESA-N 2 0 228.336 0.822 20 0 BCADRP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962297571 642726461 /nfs/dbraw/zinc/72/64/61/642726461.db2.gz MUMQPYHJMWZTSY-GDNZZTSVSA-N 2 0 249.358 0.149 20 0 BCADRP CC(C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000967708534 642802576 /nfs/dbraw/zinc/80/25/76/642802576.db2.gz LQHCUTXHFITOPB-VXGBXAGGSA-N 2 0 239.363 0.680 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N(C)CC[NH2+]C ZINC000069803283 642918310 /nfs/dbraw/zinc/91/83/10/642918310.db2.gz PRWAEZMQZLBTBI-JTQLQIEISA-N 2 0 201.314 0.182 20 0 BCADRP CCOC[C@@H](O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000070189645 642990681 /nfs/dbraw/zinc/99/06/81/642990681.db2.gz WDGLXYCZMRHXDU-ZDUSSCGKSA-N 2 0 244.379 0.705 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001019033231 643017954 /nfs/dbraw/zinc/01/79/54/643017954.db2.gz FPZMPFCDPGANAM-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001019381221 643030968 /nfs/dbraw/zinc/03/09/68/643030968.db2.gz BEOWUEORTDUQNI-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000304542804 643124671 /nfs/dbraw/zinc/12/46/71/643124671.db2.gz KZLVCWSFXTXSHW-WDEREUQCSA-N 2 0 224.352 0.654 20 0 BCADRP CC[N@H+](CCNC(=[NH2+])NCCOC)C1CC1 ZINC000066246547 643164554 /nfs/dbraw/zinc/16/45/54/643164554.db2.gz VIABIJMHKRACSB-UHFFFAOYSA-N 2 0 228.340 0.021 20 0 BCADRP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020589757 643223288 /nfs/dbraw/zinc/22/32/88/643223288.db2.gz BITUELQICLHCJD-DDHJBXDOSA-N 2 0 239.363 0.441 20 0 BCADRP C[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2CCOC2=O)C1 ZINC000247047915 643339316 /nfs/dbraw/zinc/33/93/16/643339316.db2.gz VBPBPVGRASWCHZ-RYUDHWBXSA-N 2 0 240.347 0.823 20 0 BCADRP Cn1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1=O ZINC000843346347 643347043 /nfs/dbraw/zinc/34/70/43/643347043.db2.gz FJNACVPZKYSHFZ-GFCCVEGCSA-N 2 0 235.331 0.556 20 0 BCADRP CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001021044635 643393333 /nfs/dbraw/zinc/39/33/33/643393333.db2.gz PELUPSZZGRUGHA-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP CCOC[C@@H](O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000068953489 643436051 /nfs/dbraw/zinc/43/60/51/643436051.db2.gz QQQRZAMGJOPCNA-NSHDSACASA-N 2 0 216.325 0.068 20 0 BCADRP CC[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000996710794 643494777 /nfs/dbraw/zinc/49/47/77/643494777.db2.gz FPVBZSXYRVSHJX-GFCCVEGCSA-N 2 0 241.379 0.927 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCF)C2)C1 ZINC000970712035 643510574 /nfs/dbraw/zinc/51/05/74/643510574.db2.gz KGBXZQXTUFDMOM-WDEREUQCSA-N 2 0 243.326 0.098 20 0 BCADRP CCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000970720446 643514732 /nfs/dbraw/zinc/51/47/32/643514732.db2.gz TXJRJOSTCVRSGU-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH+](C)CCOCC[NH2+]CC1(O)CCCCC1 ZINC000234245499 643641181 /nfs/dbraw/zinc/64/11/81/643641181.db2.gz FTYHGQFCDDDJHY-UHFFFAOYSA-N 2 0 244.379 0.849 20 0 BCADRP COCCOCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000084216560 643649701 /nfs/dbraw/zinc/64/97/01/643649701.db2.gz VEMUDKRVZDCVCY-RYUDHWBXSA-N 2 0 230.352 0.757 20 0 BCADRP CC[N@@H+]1CCCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000307879773 643692601 /nfs/dbraw/zinc/69/26/01/643692601.db2.gz YFEOJUYMNKSDRU-UHFFFAOYSA-N 2 0 235.335 0.899 20 0 BCADRP CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998730868 643720145 /nfs/dbraw/zinc/72/01/45/643720145.db2.gz LDWIPRFEHBXQQK-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000999832561 643742046 /nfs/dbraw/zinc/74/20/46/643742046.db2.gz TVBDEDWUNNCAAZ-VOMCLLRMSA-N 2 0 239.363 0.537 20 0 BCADRP CC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001000934010 643798786 /nfs/dbraw/zinc/79/87/86/643798786.db2.gz KOTSKCZBOJYQSG-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP CCNC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000085870113 643824205 /nfs/dbraw/zinc/82/42/05/643824205.db2.gz DKDKCPQXRDNATQ-UHFFFAOYSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000922479688 644002125 /nfs/dbraw/zinc/00/21/25/644002125.db2.gz YKONWWUEUXVCJL-DCAQKATOSA-N 2 0 242.367 0.328 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000086404295 644131042 /nfs/dbraw/zinc/13/10/42/644131042.db2.gz YXGNRHHWMQORGS-OUAUKWLOSA-N 2 0 246.376 0.423 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000186753110 644143180 /nfs/dbraw/zinc/14/31/80/644143180.db2.gz QJQQUOYFELTGDU-WCFLWFBJSA-N 2 0 247.342 0.801 20 0 BCADRP CCOC[C@@H](O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638475 644158701 /nfs/dbraw/zinc/15/87/01/644158701.db2.gz WAHPEFICSZQMIK-JTQLQIEISA-N 2 0 218.341 0.301 20 0 BCADRP COC1CC[NH+](CCNC(=[NH2+])NC(C)C)CC1 ZINC000079918414 644217591 /nfs/dbraw/zinc/21/75/91/644217591.db2.gz MVEWSRTVLLFAPI-UHFFFAOYSA-N 2 0 242.367 0.410 20 0 BCADRP CCCN(C(=O)CC[C@H](C)[NH3+])[C@@H]1CC[NH2+]C1 ZINC000193170393 644220120 /nfs/dbraw/zinc/22/01/20/644220120.db2.gz BTLRVJSCVPTRDA-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP CCOCC[C@H](O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000923283418 644308672 /nfs/dbraw/zinc/30/86/72/644308672.db2.gz BQXRGCGCWRRGGZ-AAEUAGOBSA-N 2 0 244.379 0.833 20 0 BCADRP CCOCC[C@@H](O)C[NH+]1CCC([NH3+])CC1 ZINC000923277728 644309627 /nfs/dbraw/zinc/30/96/27/644309627.db2.gz ROXUHHJOINEMRX-LLVKDONJSA-N 2 0 216.325 0.197 20 0 BCADRP CSC[C@H](O)C[NH+]1CCC([NH3+])CC1 ZINC000923278060 644310752 /nfs/dbraw/zinc/31/07/52/644310752.db2.gz XCSYALVZTMIERT-SECBINFHSA-N 2 0 204.339 0.133 20 0 BCADRP CC(C)COC[C@@H](O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000923279534 644310879 /nfs/dbraw/zinc/31/08/79/644310879.db2.gz OREYFYVOBLRZDU-ZDUSSCGKSA-N 2 0 244.379 0.704 20 0 BCADRP CC(C)COC[C@H](O)C[NH+]1CCC([NH3+])CC1 ZINC000923278047 644311984 /nfs/dbraw/zinc/31/19/84/644311984.db2.gz WRDHGTOWAZXACQ-GFCCVEGCSA-N 2 0 230.352 0.443 20 0 BCADRP CSC[C@@H](O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000923279923 644312761 /nfs/dbraw/zinc/31/27/61/644312761.db2.gz SJHUFMXILRSEJD-JTQLQIEISA-N 2 0 218.366 0.394 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923282434 644315292 /nfs/dbraw/zinc/31/52/92/644315292.db2.gz WCHYQWWWHUARQO-NWDGAFQWSA-N 2 0 239.363 0.178 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923282436 644317661 /nfs/dbraw/zinc/31/76/61/644317661.db2.gz WCHYQWWWHUARQO-VXGBXAGGSA-N 2 0 239.363 0.178 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000923287807 644319566 /nfs/dbraw/zinc/31/95/66/644319566.db2.gz GOSPJJPKHKBUIV-HBNTYKKESA-N 2 0 232.393 0.770 20 0 BCADRP C[C@@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H](C)[NH2+]1 ZINC000923287531 644320956 /nfs/dbraw/zinc/32/09/56/644320956.db2.gz WBZMRFDPUHWEQH-IJLUTSLNSA-N 2 0 239.363 0.047 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H](O)CSC)C1 ZINC000923289225 644322104 /nfs/dbraw/zinc/32/21/04/644322104.db2.gz HEXXVDRIOKCZHE-ZJUUUORDSA-N 2 0 218.366 0.252 20 0 BCADRP C[C@@H]1CN(CCC[NH2+]C2CC2)CC[C@H]1[NH3+] ZINC000923289325 644322475 /nfs/dbraw/zinc/32/24/75/644322475.db2.gz GXWHWCBWVBXNLH-ZYHUDNBSSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC[C@H]1[NH3+] ZINC000923289034 644323587 /nfs/dbraw/zinc/32/35/87/644323587.db2.gz CXVULIMBFJAEJP-IJLUTSLNSA-N 3 0 239.363 0.034 20 0 BCADRP C[C@H]1CN(CCC[NH2+]C2CC2)CC[C@H]1[NH3+] ZINC000923289320 644324704 /nfs/dbraw/zinc/32/47/04/644324704.db2.gz GXWHWCBWVBXNLH-CMPLNLGQSA-N 2 0 211.353 0.798 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCO[C@@H]1CCOC1 ZINC000923295992 644331377 /nfs/dbraw/zinc/33/13/77/644331377.db2.gz MJYSKZHKFJLRON-VXGBXAGGSA-N 2 0 230.352 0.755 20 0 BCADRP C[C@@](C[NH3+])(NCCC[NH2+]C1CC1)C1CC1 ZINC000923296507 644335037 /nfs/dbraw/zinc/33/50/37/644335037.db2.gz UFKOBUCIQDMYNM-LBPRGKRZSA-N 2 0 211.353 0.846 20 0 BCADRP CC(C)OCC[C@@H](O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000923296501 644335959 /nfs/dbraw/zinc/33/59/59/644335959.db2.gz UALSAVJMLLSKHK-OLZOCXBDSA-N 2 0 244.379 0.879 20 0 BCADRP CC[N@H+](CCCO)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923314197 644340274 /nfs/dbraw/zinc/34/02/74/644340274.db2.gz SJFLQDAIUVSUEU-NSHDSACASA-N 2 0 228.336 0.069 20 0 BCADRP C[N@H+](C[C@H]1CCOC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315737 644345063 /nfs/dbraw/zinc/34/50/63/644345063.db2.gz ZBSNNMLXIQOOCR-VXGBXAGGSA-N 2 0 240.347 0.333 20 0 BCADRP NC(=O)C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923309176 644345782 /nfs/dbraw/zinc/34/57/82/644345782.db2.gz LWMPFMRHGYGPFR-GFCCVEGCSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923309721 644346195 /nfs/dbraw/zinc/34/61/95/644346195.db2.gz ZIFLLCVQGCGBHJ-WDEREUQCSA-N 2 0 210.321 0.707 20 0 BCADRP C[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCS1 ZINC000923311240 644346886 /nfs/dbraw/zinc/34/68/86/644346886.db2.gz JELRAUQQJFGYMP-KATARQTJSA-N 2 0 216.350 0.274 20 0 BCADRP CCOCC[N@H+](CC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923309540 644346936 /nfs/dbraw/zinc/34/69/36/644346936.db2.gz RQHDWQUGUVMKBS-GFCCVEGCSA-N 2 0 242.363 0.723 20 0 BCADRP C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923308582 644346982 /nfs/dbraw/zinc/34/69/82/644346982.db2.gz FJKHYLNBTIRHGY-RHYQMDGZSA-N 2 0 212.337 0.959 20 0 BCADRP C[C@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCS1 ZINC000923311043 644347151 /nfs/dbraw/zinc/34/71/51/644347151.db2.gz FRQSALPOVZNAKL-QWRGUYRKSA-N 2 0 242.388 0.802 20 0 BCADRP C[C@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCCO1 ZINC000923311891 644347235 /nfs/dbraw/zinc/34/72/35/644347235.db2.gz AMWRUVRGMYGSMS-NWDGAFQWSA-N 2 0 240.347 0.476 20 0 BCADRP CCOCC[N@H+](CC)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923309831 644347313 /nfs/dbraw/zinc/34/73/13/644347313.db2.gz VKUDBZOTXSOFHI-DCAQKATOSA-N 2 0 216.325 0.195 20 0 BCADRP C(C[NH2+]C1CC1)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331319 644347386 /nfs/dbraw/zinc/34/73/86/644347386.db2.gz JJKSCNJOZCBDIE-CYBMUJFWSA-N 2 0 223.364 0.814 20 0 BCADRP C[C@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCCO1 ZINC000923311892 644347687 /nfs/dbraw/zinc/34/76/87/644347687.db2.gz AMWRUVRGMYGSMS-RYUDHWBXSA-N 2 0 240.347 0.476 20 0 BCADRP CN(C[C@@H]1CCC[N@H+](C)C1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923321082 644349089 /nfs/dbraw/zinc/34/90/89/644349089.db2.gz JZUQGTODMOZERF-VOAKCMCISA-N 2 0 241.379 0.111 20 0 BCADRP [NH3+][C@@H]1CC[C@H]2CN(CCC[NH2+]C3CC3)C[C@@H]12 ZINC000923330520 644349591 /nfs/dbraw/zinc/34/95/91/644349591.db2.gz AFZSRVACIOFGFJ-CYZMBNFOSA-N 2 0 223.364 0.798 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000923333128 644354815 /nfs/dbraw/zinc/35/48/15/644354815.db2.gz UOGKWIUEGZCPHS-LPEHRKFASA-N 2 0 218.366 0.379 20 0 BCADRP CCOCC[C@@H](O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000923349698 644362330 /nfs/dbraw/zinc/36/23/30/644362330.db2.gz VUTIUBDTGUCGDF-QWHCGFSZSA-N 2 0 244.379 0.835 20 0 BCADRP Cc1ccc(C)c(OCCNC(C[NH3+])C[NH3+])c1 ZINC000923351567 644366710 /nfs/dbraw/zinc/36/67/10/644366710.db2.gz KAYHFZSXUNDWMO-UHFFFAOYSA-N 2 0 237.347 0.558 20 0 BCADRP CCOC[C@H](O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000923358657 644367276 /nfs/dbraw/zinc/36/72/76/644367276.db2.gz JTYQCOJCIWJRCU-GFCCVEGCSA-N 2 0 242.363 0.459 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1cccc2c1CCOC2 ZINC000923358992 644367816 /nfs/dbraw/zinc/36/78/16/644367816.db2.gz IUOHLGYAWFKJGH-UHFFFAOYSA-N 2 0 235.331 0.135 20 0 BCADRP CO[C@@H](CNC(C[NH3+])C[NH3+])c1ccc(F)cc1 ZINC000923358432 644367958 /nfs/dbraw/zinc/36/79/58/644367958.db2.gz BSGAEHILUWDPPX-LBPRGKRZSA-N 2 0 241.310 0.389 20 0 BCADRP CO[C@H](CNC(C[NH3+])C[NH3+])C1CCCC1 ZINC000923358398 644368023 /nfs/dbraw/zinc/36/80/23/644368023.db2.gz AFUNFOPGENNCPX-LLVKDONJSA-N 2 0 215.341 0.067 20 0 BCADRP Cc1cc(C)cc(OCCNC(C[NH3+])C[NH3+])c1 ZINC000923353377 644369866 /nfs/dbraw/zinc/36/98/66/644369866.db2.gz VKKSAGSENHPUHP-UHFFFAOYSA-N 2 0 237.347 0.558 20 0 BCADRP CCOCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000923353987 644369913 /nfs/dbraw/zinc/36/99/13/644369913.db2.gz PHKFCGSEGGSLII-CHWSQXEVSA-N 2 0 244.379 0.977 20 0 BCADRP [NH3+]CC(C[NH3+])NCCCOc1ccc(F)cc1 ZINC000923352654 644369983 /nfs/dbraw/zinc/36/99/83/644369983.db2.gz PXEZYIDXCYOXFO-UHFFFAOYSA-N 2 0 241.310 0.470 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1cc(-c2ccccc2)no1 ZINC000923352668 644370503 /nfs/dbraw/zinc/37/05/03/644370503.db2.gz PXSONINBGRLGKO-UHFFFAOYSA-N 2 0 246.314 0.717 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923356205 644371956 /nfs/dbraw/zinc/37/19/56/644371956.db2.gz RAPIOXMSRDQLOY-RYUDHWBXSA-N 2 0 244.404 0.786 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923355104 644372978 /nfs/dbraw/zinc/37/29/78/644372978.db2.gz GSSSWCWRQOEIQZ-ZJUUUORDSA-N 2 0 218.366 0.381 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923356207 644373239 /nfs/dbraw/zinc/37/32/39/644373239.db2.gz RAPIOXMSRDQLOY-VXGBXAGGSA-N 2 0 244.404 0.786 20 0 BCADRP CCCCCC[C@H](O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000923367436 644377907 /nfs/dbraw/zinc/37/79/07/644377907.db2.gz VBPOARHFYXLGTB-NWDGAFQWSA-N 2 0 232.368 0.569 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923367160 644378525 /nfs/dbraw/zinc/37/85/25/644378525.db2.gz SXVQABRDZLSFTN-RYUDHWBXSA-N 2 0 244.404 0.786 20 0 BCADRP CSC[C@@H](O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000923368981 644380402 /nfs/dbraw/zinc/38/04/02/644380402.db2.gz IHCMBTPMADSJIH-UWVGGRQHSA-N 2 0 232.393 0.688 20 0 BCADRP CN(CCC[NH2+]C1CC1)C1(C[NH3+])CCC1 ZINC000923362541 644386913 /nfs/dbraw/zinc/38/69/13/644386913.db2.gz OIWDYAVAJLRQHH-UHFFFAOYSA-N 2 0 211.353 0.942 20 0 BCADRP C(C[NH2+]C1CC1)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923359656 644383451 /nfs/dbraw/zinc/38/34/51/644383451.db2.gz AVFIYVZRDWZKKF-PWSUYJOCSA-N 2 0 209.337 0.422 20 0 BCADRP CSC[C@H](O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000923360136 644384023 /nfs/dbraw/zinc/38/40/23/644384023.db2.gz WKPUHMWCAHZRSD-ZJUUUORDSA-N 2 0 218.366 0.379 20 0 BCADRP CN(C[C@@H]1CC2(C[NH2+]C2)CO1)C1(C[NH3+])CCC1 ZINC000923362891 644386537 /nfs/dbraw/zinc/38/65/37/644386537.db2.gz QFZCZWJRDKGMPT-NSHDSACASA-N 2 0 239.363 0.178 20 0 BCADRP C[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000923362230 644386732 /nfs/dbraw/zinc/38/67/32/644386732.db2.gz MINUVCUJQCGFRU-SRVKXCTJSA-N 2 0 212.337 0.689 20 0 BCADRP CO[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@@H]1C ZINC000923374587 644388673 /nfs/dbraw/zinc/38/86/73/644388673.db2.gz ZWZQDIOMJFGLJC-HTFCKZLJSA-N 2 0 228.336 0.194 20 0 BCADRP [NH3+]C[C@@H]1CN(CCC[NH2+]C2CC2)CCCO1 ZINC000923377741 644390444 /nfs/dbraw/zinc/39/04/44/644390444.db2.gz BIPXXGXHWWOXII-GFCCVEGCSA-N 2 0 227.352 0.178 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@H](O)COCC(C)C ZINC000923377500 644390645 /nfs/dbraw/zinc/39/06/45/644390645.db2.gz LGRIZMFDWIVFPB-LBPRGKRZSA-N 2 0 232.368 0.561 20 0 BCADRP C[C@H](O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000923376893 644392103 /nfs/dbraw/zinc/39/21/03/644392103.db2.gz DQDJZTARLCUXOL-TUAOUCFPSA-N 2 0 240.347 0.068 20 0 BCADRP [NH3+]C[C@H]1CN(CCC[NH2+]C2CC2)CCCO1 ZINC000923377743 644392522 /nfs/dbraw/zinc/39/25/22/644392522.db2.gz BIPXXGXHWWOXII-LBPRGKRZSA-N 2 0 227.352 0.178 20 0 BCADRP CCOCC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923381603 644393377 /nfs/dbraw/zinc/39/33/77/644393377.db2.gz JTQBHKYAIUJVEA-QJPTWQEYSA-N 2 0 230.352 0.633 20 0 BCADRP CC[C@@H](C)[C@@H](C)[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923380378 644393754 /nfs/dbraw/zinc/39/37/54/644393754.db2.gz VWTVLWVKAFMKEC-UVOCVTCTSA-N 2 0 200.326 0.861 20 0 BCADRP C[C@@H](O)C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923391260 644395767 /nfs/dbraw/zinc/39/57/67/644395767.db2.gz XBJHXTHLFJDJER-ZYHUDNBSSA-N 2 0 240.347 0.210 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000923392186 644398436 /nfs/dbraw/zinc/39/84/36/644398436.db2.gz IFOCFWGKTJFWIF-IVZWLZJFSA-N 2 0 218.366 0.522 20 0 BCADRP C[C@@H](CO)C1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923387421 644398628 /nfs/dbraw/zinc/39/86/28/644398628.db2.gz NNDIBKFTOGBKOL-BQUFFADESA-N 2 0 242.363 0.177 20 0 BCADRP CC(C)O[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923385931 644399413 /nfs/dbraw/zinc/39/94/13/644399413.db2.gz GAOFLOIIDAVOPD-CYDGBPFRSA-N 2 0 242.363 0.726 20 0 BCADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000923393523 644401104 /nfs/dbraw/zinc/40/11/04/644401104.db2.gz SAKLEDXKJZRVIT-XQQFMLRXSA-N 2 0 244.379 0.974 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC3(CC3(F)F)CC2)C1 ZINC000923388699 644401352 /nfs/dbraw/zinc/40/13/52/644401352.db2.gz TYAQJCCUIGDEMX-GUBZILKMSA-N 2 0 246.301 0.958 20 0 BCADRP C[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000923388680 644401569 /nfs/dbraw/zinc/40/15/69/644401569.db2.gz QPRRVRICXPUUFX-ZDEQEGDKSA-N 2 0 242.363 0.586 20 0 BCADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000923393522 644402448 /nfs/dbraw/zinc/40/24/48/644402448.db2.gz SAKLEDXKJZRVIT-UPJWGTAASA-N 2 0 244.379 0.974 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000923393862 644402820 /nfs/dbraw/zinc/40/28/20/644402820.db2.gz ZMSPXTNQZKBTRV-WOPDTQHZSA-N 2 0 238.335 0.056 20 0 BCADRP [NH3+]CC12CC(C1)CN2CCC[NH2+]C1CC1 ZINC000923389412 644403151 /nfs/dbraw/zinc/40/31/51/644403151.db2.gz AAPMDLPOHVIRPK-UHFFFAOYSA-N 2 0 209.337 0.552 20 0 BCADRP CN(CCC[NH2+]C1CC1)CCOCC[NH3+] ZINC000923403064 644405918 /nfs/dbraw/zinc/40/59/18/644405918.db2.gz NKEYOAYVAKTYBW-UHFFFAOYSA-N 2 0 215.341 0.036 20 0 BCADRP C([C@H]1CC2(C[NH2+]C2)CO1)[NH+](C1CC1)C1CC1 ZINC000923401995 644407953 /nfs/dbraw/zinc/40/79/53/644407953.db2.gz RJXPDVLGYAVUMS-GFCCVEGCSA-N 2 0 222.332 0.992 20 0 BCADRP [NH3+]CCCCCCN1CCC[C@@H]([NH2+]CCO)C1 ZINC000923408095 644409207 /nfs/dbraw/zinc/40/92/07/644409207.db2.gz BIRCBTQKWXEVHP-CYBMUJFWSA-N 2 0 243.395 0.552 20 0 BCADRP CC(C)OCC[C@H](O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000923410475 644410993 /nfs/dbraw/zinc/41/09/93/644410993.db2.gz IEQCQAPSAVTTJE-AVGNSLFASA-N 2 0 244.379 0.689 20 0 BCADRP C[C@@H]([NH3+])CN(C)C[C@H](O)Cc1ccccc1 ZINC000923410182 644411837 /nfs/dbraw/zinc/41/18/37/644411837.db2.gz KXYAWBDBCHZKOG-DGCLKSJQSA-N 2 0 222.332 0.869 20 0 BCADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCO)C1 ZINC000923412753 644413210 /nfs/dbraw/zinc/41/32/10/644413210.db2.gz AQIFUWSDDNQICA-NSHDSACASA-N 2 0 200.326 0.676 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(CCF)CC2)C1 ZINC000923412231 644413885 /nfs/dbraw/zinc/41/38/85/644413885.db2.gz QEBYKQVQUBRQQN-SRVKXCTJSA-N 2 0 230.327 0.909 20 0 BCADRP C[NH+](C)[C@@H]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923421903 644417558 /nfs/dbraw/zinc/41/75/58/644417558.db2.gz PDBZMHXKVUFPGQ-VXGBXAGGSA-N 2 0 239.363 0.001 20 0 BCADRP CSC[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000923421910 644417742 /nfs/dbraw/zinc/41/77/42/644417742.db2.gz PEFIGNNRHFUZTA-VGMNWLOBSA-N 2 0 218.366 0.426 20 0 BCADRP CC(C)COC[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923423670 644419961 /nfs/dbraw/zinc/41/99/61/644419961.db2.gz YGNYLFOCMHWIKS-UTUOFQBUSA-N 2 0 244.379 0.735 20 0 BCADRP CC(C)OC[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923423603 644420125 /nfs/dbraw/zinc/42/01/25/644420125.db2.gz XWXDQUZLHZUWFC-MXWKQRLJSA-N 2 0 230.352 0.488 20 0 BCADRP CCN(C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CC[NH2+]C1 ZINC000923427075 644422911 /nfs/dbraw/zinc/42/29/11/644422911.db2.gz XZCVMZMTQZVYFN-RYUDHWBXSA-N 2 0 239.363 0.049 20 0 BCADRP C[C@@H]1COCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923432712 644426868 /nfs/dbraw/zinc/42/68/68/644426868.db2.gz IPJUJZRAGCWGJO-NWDGAFQWSA-N 2 0 240.347 0.333 20 0 BCADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C[C@@H]1C[NH2+]CCO1 ZINC000923436866 644428940 /nfs/dbraw/zinc/42/89/40/644428940.db2.gz SVTPRHPIFIVMRK-BJDJZHNGSA-N 2 0 227.352 0.046 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923454024 644441844 /nfs/dbraw/zinc/44/18/44/644441844.db2.gz DSXRSQWTUUPCDB-QJPTWQEYSA-N 2 0 209.337 0.422 20 0 BCADRP [NH3+]CCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923453027 644441960 /nfs/dbraw/zinc/44/19/60/644441960.db2.gz YGSGETQQEJYQBE-NSHDSACASA-N 3 0 227.352 0.165 20 0 BCADRP C[C@@H](CNC(=O)C[C@H]1CSCC[NH2+]1)[NH+](C)C ZINC000085613605 644442834 /nfs/dbraw/zinc/44/28/34/644442834.db2.gz ZINLZFWAFJWKKS-UWVGGRQHSA-N 2 0 245.392 0.148 20 0 BCADRP C[C@@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)[NH+](C)C ZINC000085613593 644443760 /nfs/dbraw/zinc/44/37/60/644443760.db2.gz ZINLZFWAFJWKKS-VHSXEESVSA-N 2 0 245.392 0.148 20 0 BCADRP C[C@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)[NH+](C)C ZINC000085613599 644443811 /nfs/dbraw/zinc/44/38/11/644443811.db2.gz ZINLZFWAFJWKKS-NXEZZACHSA-N 2 0 245.392 0.148 20 0 BCADRP Cc1cnc([C@@H](C)N2CC[NH2+]CC[NH2+]CC2)o1 ZINC000923460504 644445900 /nfs/dbraw/zinc/44/59/00/644445900.db2.gz UDJXQOOWCHZHEW-LLVKDONJSA-N 2 0 238.335 0.539 20 0 BCADRP Cc1ccncc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460822 644447347 /nfs/dbraw/zinc/44/73/47/644447347.db2.gz RRANTCHFEKAPOA-UHFFFAOYSA-N 2 0 234.347 0.385 20 0 BCADRP [NH3+][C@@]1(CO)CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000923470891 644449293 /nfs/dbraw/zinc/44/92/93/644449293.db2.gz BWEKNEPGSCUZHJ-STQMWFEESA-N 2 0 241.379 0.162 20 0 BCADRP COC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000085869922 644450995 /nfs/dbraw/zinc/45/09/95/644450995.db2.gz HTYBXXVOZDRDML-UHFFFAOYSA-N 2 0 200.282 0.361 20 0 BCADRP [NH3+]CCCCCCN1CCC[C@]([NH3+])(CO)C1 ZINC000923475170 644453895 /nfs/dbraw/zinc/45/38/95/644453895.db2.gz OBVDLDUGTGYLLO-GFCCVEGCSA-N 2 0 229.368 0.291 20 0 BCADRP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480640 644459055 /nfs/dbraw/zinc/45/90/55/644459055.db2.gz AWGSHHDPGWRJLL-NWDGAFQWSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000086189372 644459806 /nfs/dbraw/zinc/45/98/06/644459806.db2.gz JFAFQUPRWRWLRM-AGIUHOORSA-N 2 0 225.380 0.868 20 0 BCADRP COC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495291 644461808 /nfs/dbraw/zinc/46/18/08/644461808.db2.gz BFZLKIKKTNGQSQ-KXUCPTDWSA-N 2 0 214.309 0.465 20 0 BCADRP CCN1CC[C@H]([N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)C1=O ZINC000923491071 644464717 /nfs/dbraw/zinc/46/47/17/644464717.db2.gz QNZOGLWPGMNNKG-SRVKXCTJSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CC[C@@H]1C[NH3+] ZINC000923489377 644465161 /nfs/dbraw/zinc/46/51/61/644465161.db2.gz JGFOHLYGSMGLJT-USZNOCQGSA-N 2 0 229.343 0.603 20 0 BCADRP CON1CC[C@H]([N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)C1=O ZINC000923492246 644467691 /nfs/dbraw/zinc/46/76/91/644467691.db2.gz MLLGRVKQUJLQNW-AXFHLTTASA-N 2 0 241.335 0.065 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923491895 644468217 /nfs/dbraw/zinc/46/82/17/644468217.db2.gz KHCWSSAIOAEABK-VOAKCMCISA-N 3 0 225.380 0.759 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923494256 644469695 /nfs/dbraw/zinc/46/96/95/644469695.db2.gz WXLULJOSJDHYHM-CHWSQXEVSA-N 2 0 244.379 0.956 20 0 BCADRP CC(C)OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923493993 644469894 /nfs/dbraw/zinc/46/98/94/644469894.db2.gz VFKDKZKPUMWSEP-RWMBFGLXSA-N 2 0 244.379 0.689 20 0 BCADRP CC(C)OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923493778 644470142 /nfs/dbraw/zinc/47/01/42/644470142.db2.gz VFKDKZKPUMWSEP-FRRDWIJNSA-N 2 0 244.379 0.689 20 0 BCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503639 644478156 /nfs/dbraw/zinc/47/81/56/644478156.db2.gz KCJABFVUZANYCJ-GMTAPVOTSA-N 2 0 239.363 0.570 20 0 BCADRP COC[C@@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)OC ZINC000923515072 644480056 /nfs/dbraw/zinc/48/00/56/644480056.db2.gz CEJTTWIHUANLQS-QJPTWQEYSA-N 2 0 228.336 0.189 20 0 BCADRP C[C@@H](O)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000087129158 644480527 /nfs/dbraw/zinc/48/05/27/644480527.db2.gz SKGXNIMVGOHHKD-VHSXEESVSA-N 2 0 200.326 0.687 20 0 BCADRP C(C[NH2+]C1CC1)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515976 644480756 /nfs/dbraw/zinc/48/07/56/644480756.db2.gz PKNQOWNIVMZPJM-NWDGAFQWSA-N 2 0 223.364 0.670 20 0 BCADRP C[C@@H]1OCC[C@H]1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516176 644481203 /nfs/dbraw/zinc/48/12/03/644481203.db2.gz TYHQEUQURYBASP-ZDEQEGDKSA-N 2 0 224.348 0.953 20 0 BCADRP Nc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccn1 ZINC000923521312 644481983 /nfs/dbraw/zinc/48/19/83/644481983.db2.gz MPQHMEVQSOBQEU-NWDGAFQWSA-N 2 0 232.331 0.705 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000923529861 644483756 /nfs/dbraw/zinc/48/37/56/644483756.db2.gz CHBZUBJGSSCLGK-AVGNSLFASA-N 2 0 241.354 0.904 20 0 BCADRP OC[C@H]1CCCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000923531071 644486137 /nfs/dbraw/zinc/48/61/37/644486137.db2.gz ORFPBINDPORBMO-NWDGAFQWSA-N 2 0 212.337 0.833 20 0 BCADRP C([C@@H]1C[NH2+]CCO1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534815 644486279 /nfs/dbraw/zinc/48/62/79/644486279.db2.gz XWVQLDBLSYOYBE-QWHCGFSZSA-N 2 0 239.363 0.193 20 0 BCADRP CCO[C@H]1CC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000923530537 644487597 /nfs/dbraw/zinc/48/75/97/644487597.db2.gz FNDJUNPOJZNQBM-QWRGUYRKSA-N 2 0 216.325 0.068 20 0 BCADRP [NH3+]CCOCCN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923537665 644492948 /nfs/dbraw/zinc/49/29/48/644492948.db2.gz XETKPEPAPWRNDO-LBPRGKRZSA-N 2 0 227.352 0.180 20 0 BCADRP Cc1cc(NC[C@@H](C)[NH+](C)C)nc(N)[nH+]1 ZINC000087031383 644493937 /nfs/dbraw/zinc/49/39/37/644493937.db2.gz YXDYJVXDKLQGQP-MRVPVSSYSA-N 2 0 209.297 0.729 20 0 BCADRP COC[C@H]1COCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000923556325 644499896 /nfs/dbraw/zinc/49/98/96/644499896.db2.gz GGZJZXKZIAJCET-ZDUSSCGKSA-N 2 0 242.363 0.723 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516582 644692659 /nfs/dbraw/zinc/69/26/59/644692659.db2.gz NXMAWUIMMWOHSA-AVGNSLFASA-N 2 0 244.379 0.894 20 0 BCADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCOCCO ZINC000093514071 644693486 /nfs/dbraw/zinc/69/34/86/644693486.db2.gz VLRKYZKPGBKTLP-STQMWFEESA-N 2 0 244.379 0.896 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000094749913 644726934 /nfs/dbraw/zinc/72/69/34/644726934.db2.gz ONAKEJBSEHHJOE-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000250092274 644746694 /nfs/dbraw/zinc/74/66/94/644746694.db2.gz QJQQUOYFELTGDU-WXHSDQCUSA-N 2 0 247.342 0.801 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250459150 644759875 /nfs/dbraw/zinc/75/98/75/644759875.db2.gz KGMDMWMPEZVAGN-YNEHKIRRSA-N 2 0 242.363 0.458 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000250647214 644773962 /nfs/dbraw/zinc/77/39/62/644773962.db2.gz KNJCQJIGBGCWOG-WHOHXGKFSA-N 2 0 210.321 0.977 20 0 BCADRP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC000958415584 644795432 /nfs/dbraw/zinc/79/54/32/644795432.db2.gz XJIHBWWIHLXIFQ-KXNHARMFSA-N 2 0 237.347 0.147 20 0 BCADRP C[C@H]1C[N@H+](CCC(=O)N(C)C)CC[C@H]1C[NH3+] ZINC000251831522 644825530 /nfs/dbraw/zinc/82/55/30/644825530.db2.gz PONCDQVTAGYBHB-QWRGUYRKSA-N 2 0 227.352 0.381 20 0 BCADRP C[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252415950 644848823 /nfs/dbraw/zinc/84/88/23/644848823.db2.gz MRFTYXKMWQVWNS-SDDRHHMPSA-N 2 0 212.337 0.831 20 0 BCADRP CC(C)NC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252668105 644875639 /nfs/dbraw/zinc/87/56/39/644875639.db2.gz RSNXHFVXUAIZOL-QWRGUYRKSA-N 2 0 240.351 0.372 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000304305649 644889064 /nfs/dbraw/zinc/88/90/64/644889064.db2.gz BXIVRLMLGRBAIS-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000304334586 644893893 /nfs/dbraw/zinc/89/38/93/644893893.db2.gz ICSFPLKSXOYREI-WDEREUQCSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000304369937 644898388 /nfs/dbraw/zinc/89/83/88/644898388.db2.gz OFLFDHRLNOGPHW-NSHDSACASA-N 2 0 225.336 0.324 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000304601942 644919754 /nfs/dbraw/zinc/91/97/54/644919754.db2.gz VKXYZYFXQPZLRK-RYUDHWBXSA-N 2 0 228.336 0.069 20 0 BCADRP C[NH+](C)C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC000822291600 645041297 /nfs/dbraw/zinc/04/12/97/645041297.db2.gz NBLFJUCNTFIPFJ-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP [NH3+][C@@H](CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000841857538 645230540 /nfs/dbraw/zinc/23/05/40/645230540.db2.gz UWZPBIUKYOKMEE-SDDRHHMPSA-N 2 0 237.347 0.324 20 0 BCADRP CC[C@@](C)(CC(=O)OC)[NH2+]CCOCC[NH3+] ZINC000843390196 645288627 /nfs/dbraw/zinc/28/86/27/645288627.db2.gz PGBVQMNTINTPHW-NSHDSACASA-N 2 0 232.324 0.283 20 0 BCADRP CC[C@](C)(CC(=O)OC)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000843390100 645289215 /nfs/dbraw/zinc/28/92/15/645289215.db2.gz KOGBPFMDMVJTDC-CMPLNLGQSA-N 2 0 228.336 0.917 20 0 BCADRP [NH3+]CCCCCCNC(=O)CCC[NH3+] ZINC000843506361 645293933 /nfs/dbraw/zinc/29/39/33/645293933.db2.gz TXQIVJFDCMYRCA-UHFFFAOYSA-N 2 0 201.314 0.361 20 0 BCADRP CC[NH2+]CC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000843508238 645294229 /nfs/dbraw/zinc/29/42/29/645294229.db2.gz RKFMQHSTVPNOGY-ZDUSSCGKSA-N 2 0 247.342 0.681 20 0 BCADRP CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000844185031 645316134 /nfs/dbraw/zinc/31/61/34/645316134.db2.gz DJCBSQKFFDXYRB-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP CC[NH2+]CC(=O)NCCC1CC[NH+](CC)CC1 ZINC000844184364 645316161 /nfs/dbraw/zinc/31/61/61/645316161.db2.gz KREGLDWDYRYTOG-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP CON1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000926665823 645344873 /nfs/dbraw/zinc/34/48/73/645344873.db2.gz MXCPVWQIIXTDGR-BJHJDKERSA-N 2 0 241.379 0.942 20 0 BCADRP CN1CC[C@H]1C[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000926894237 645480338 /nfs/dbraw/zinc/48/03/38/645480338.db2.gz LXHANOZKFNIFFA-FXJUQPSGSA-N 2 0 223.364 0.620 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@H](CO)C1 ZINC000927145947 645569807 /nfs/dbraw/zinc/56/98/07/645569807.db2.gz TZVHOZCTUCETGA-POVTYCQASA-N 2 0 224.348 0.687 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000928429756 645745810 /nfs/dbraw/zinc/74/58/10/645745810.db2.gz RVTLXEODLYPVEC-BBBLOLIVSA-N 2 0 213.325 0.145 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1C)[NH+](C)C ZINC000928429757 645747944 /nfs/dbraw/zinc/74/79/44/645747944.db2.gz RVTLXEODLYPVEC-GUBZILKMSA-N 2 0 213.325 0.145 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000928436428 645755296 /nfs/dbraw/zinc/75/52/96/645755296.db2.gz GCJIPUCYEWADAZ-GRYCIOLGSA-N 2 0 241.379 0.781 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C[C@H]1CC[NH2+]C1)C2 ZINC000877373341 645794698 /nfs/dbraw/zinc/79/46/98/645794698.db2.gz YTUGUWUBYOWBGR-NTZNESFSSA-N 2 0 237.347 0.054 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1CCC[NH2+]C1)C2 ZINC000877373530 645794808 /nfs/dbraw/zinc/79/48/08/645794808.db2.gz BIODWIMOBHUSQX-NTZNESFSSA-N 2 0 237.347 0.054 20 0 BCADRP CN1CC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC000928552787 645806598 /nfs/dbraw/zinc/80/65/98/645806598.db2.gz WMVXCZGGNMTIFU-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+]2C)CC[N@@H+]1C ZINC000928557402 645816040 /nfs/dbraw/zinc/81/60/40/645816040.db2.gz RWIKQCQIMPGIGC-SRVKXCTJSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000884270566 645873052 /nfs/dbraw/zinc/87/30/52/645873052.db2.gz OKZVJWMHUFFEGM-TUAOUCFPSA-N 2 0 241.379 0.735 20 0 BCADRP C[C@@H](O)[C@@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000929282139 646056011 /nfs/dbraw/zinc/05/60/11/646056011.db2.gz HLGQEVLBBDOQIQ-PWSUYJOCSA-N 2 0 230.352 0.002 20 0 BCADRP C[NH+](C)CC1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000929281548 646058052 /nfs/dbraw/zinc/05/80/52/646058052.db2.gz BXILQFOVLJGVJQ-CYBMUJFWSA-N 2 0 242.363 0.675 20 0 BCADRP C([C@@H]1CCC2(COC2)O1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000929311655 646073668 /nfs/dbraw/zinc/07/36/68/646073668.db2.gz FNMACHIJGQYNSG-SRVKXCTJSA-N 2 0 238.331 0.086 20 0 BCADRP CCOCCOCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000929312894 646074881 /nfs/dbraw/zinc/07/48/81/646074881.db2.gz OABZRWXHFVXUSK-VXGBXAGGSA-N 2 0 228.336 0.191 20 0 BCADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)(C)CO ZINC000924758012 646102667 /nfs/dbraw/zinc/10/26/67/646102667.db2.gz RZAPAHMYHQWARJ-RYUDHWBXSA-N 2 0 244.379 0.440 20 0 BCADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)(C)CO ZINC000924758009 646102857 /nfs/dbraw/zinc/10/28/57/646102857.db2.gz RZAPAHMYHQWARJ-NEPJUHHUSA-N 2 0 244.379 0.440 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@@H]2C(=O)NCC2(C)C)CC1 ZINC000924961597 646145131 /nfs/dbraw/zinc/14/51/31/646145131.db2.gz AHOOZLQZPVMEQP-LLVKDONJSA-N 2 0 239.363 0.442 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C)COC1 ZINC000925049696 646169558 /nfs/dbraw/zinc/16/95/58/646169558.db2.gz UGSVWDXMCMQNJB-FOSCPWQOSA-N 2 0 224.348 0.953 20 0 BCADRP CC[C@@H](CO)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000929638030 646217233 /nfs/dbraw/zinc/21/72/33/646217233.db2.gz UHTKDCVYXBFSIX-QWRGUYRKSA-N 2 0 200.326 0.641 20 0 BCADRP C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CCOC2)CC[N@@H+]1C ZINC000925515361 646311313 /nfs/dbraw/zinc/31/13/13/646311313.db2.gz HSMJNKFPKQBPJI-IJLUTSLNSA-N 2 0 227.352 0.047 20 0 BCADRP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CCOC2)CC[N@@H+]1C ZINC000925515359 646311428 /nfs/dbraw/zinc/31/14/28/646311428.db2.gz HSMJNKFPKQBPJI-GRYCIOLGSA-N 2 0 227.352 0.047 20 0 BCADRP C1CC1[NH+]1CCC(N[C@H]2C[NH2+]CCOC2)CC1 ZINC000925513526 646311462 /nfs/dbraw/zinc/31/14/62/646311462.db2.gz HMPBXSYHILOBRT-LBPRGKRZSA-N 2 0 239.363 0.191 20 0 BCADRP C[C@H]1CCC[N@H+](CCN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925550390 646327020 /nfs/dbraw/zinc/32/70/20/646327020.db2.gz LUDUNSGZYZGCBZ-QWHCGFSZSA-N 2 0 241.379 0.296 20 0 BCADRP C[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925565737 646331267 /nfs/dbraw/zinc/33/12/67/646331267.db2.gz XKHSXDNVUZCYFI-QWRGUYRKSA-N 2 0 211.353 0.811 20 0 BCADRP COCCOCCN[C@H]1CC[NH2+]C1(C)C ZINC000925565437 646338155 /nfs/dbraw/zinc/33/81/55/646338155.db2.gz RCOYETBITMVZEO-JTQLQIEISA-N 2 0 216.325 0.380 20 0 BCADRP CCn1cnnc1CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925570965 646340192 /nfs/dbraw/zinc/34/01/92/646340192.db2.gz CBINSBRQIQMWID-NSHDSACASA-N 2 0 249.362 0.715 20 0 BCADRP CC(C)(C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(N)=O ZINC000925602623 646355294 /nfs/dbraw/zinc/35/52/94/646355294.db2.gz VBIYZNYQVAQEOE-NXEZZACHSA-N 2 0 241.379 0.994 20 0 BCADRP CC[C@@H](CN[C@@H]1C[NH2+]CCOC1)[NH+]1CCCC1 ZINC000925607330 646357551 /nfs/dbraw/zinc/35/75/51/646357551.db2.gz VIGKOEXOBIWJTD-OLZOCXBDSA-N 2 0 241.379 0.439 20 0 BCADRP COC[C@H](CCO)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925610931 646359375 /nfs/dbraw/zinc/35/93/75/646359375.db2.gz IYAGVFAUNLWZIE-GRYCIOLGSA-N 2 0 244.379 0.879 20 0 BCADRP C[C@H](CN[C@@H]1C[NH2+]CCOC1)[NH+]1CCCCC1 ZINC000925613868 646361793 /nfs/dbraw/zinc/36/17/93/646361793.db2.gz UFXXNAYYLHYWOQ-CHWSQXEVSA-N 2 0 241.379 0.439 20 0 BCADRP CC1(C)C[C@@H]([NH2+]CCCOCCO)C[C@@H]([NH3+])C1 ZINC000925630413 646376358 /nfs/dbraw/zinc/37/63/58/646376358.db2.gz AZXNJMIBFUUCBB-NEPJUHHUSA-N 2 0 244.379 0.881 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(F)(F)CO ZINC000925638091 646382138 /nfs/dbraw/zinc/38/21/38/646382138.db2.gz AQMVPRUVONLAEP-BQKDNTBBSA-N 2 0 234.290 0.720 20 0 BCADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1C[NH2+]CCOC1 ZINC000925668032 646398617 /nfs/dbraw/zinc/39/86/17/646398617.db2.gz FNVZOEOTTCJIPJ-NWDGAFQWSA-N 2 0 229.368 0.293 20 0 BCADRP C[C@@H](C[NH+](C)C)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925674627 646402434 /nfs/dbraw/zinc/40/24/34/646402434.db2.gz STVWZKLQAVSXGE-MCDVFOBDSA-N 2 0 223.364 0.523 20 0 BCADRP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C12CCC2 ZINC000925679957 646406685 /nfs/dbraw/zinc/40/66/85/646406685.db2.gz NQYQDELHNYUFRO-LPEHRKFASA-N 2 0 223.320 0.125 20 0 BCADRP O=C1C[C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)CN1 ZINC000925684466 646410716 /nfs/dbraw/zinc/41/07/16/646410716.db2.gz BIMRMXAFMHNRNW-MNOVXSKESA-N 2 0 237.347 0.387 20 0 BCADRP C[N@@H+]1CCC[C@@H](CCN[C@H]2C[NH2+]CCOC2)C1 ZINC000925686376 646412399 /nfs/dbraw/zinc/41/23/99/646412399.db2.gz SKUPHKONDHVJSJ-STQMWFEESA-N 2 0 241.379 0.296 20 0 BCADRP C(C[NH2+]C1CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925691672 646415198 /nfs/dbraw/zinc/41/51/98/646415198.db2.gz JKXXPZCGBYYWQG-LLVKDONJSA-N 2 0 209.337 0.613 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925690138 646416826 /nfs/dbraw/zinc/41/68/26/646416826.db2.gz FJJUIYBKECWOIX-GVWAJWJKSA-N 2 0 223.364 1.000 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2COC[C@H]2O)C1 ZINC000925691355 646416887 /nfs/dbraw/zinc/41/68/87/646416887.db2.gz MWZPLYNBIKNUKC-GWOFURMSSA-N 2 0 228.336 0.242 20 0 BCADRP C[C@@H]([NH3+])CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925694244 646419511 /nfs/dbraw/zinc/41/95/11/646419511.db2.gz RLGJBEPDPGYZIN-MNOVXSKESA-N 2 0 211.353 0.988 20 0 BCADRP [NH3+][C@@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)C12CCC2 ZINC000925693909 646420382 /nfs/dbraw/zinc/42/03/82/646420382.db2.gz SPMWBPALMDUQCX-MXWKQRLJSA-N 2 0 209.337 0.598 20 0 BCADRP C[C@H]([NH3+])CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925694248 646420423 /nfs/dbraw/zinc/42/04/23/646420423.db2.gz RLGJBEPDPGYZIN-WDEREUQCSA-N 2 0 211.353 0.988 20 0 BCADRP COCC[NH2+]CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925697521 646421305 /nfs/dbraw/zinc/42/13/05/646421305.db2.gz GCMQQMRFQRQPCV-LLVKDONJSA-N 2 0 227.352 0.097 20 0 BCADRP C[NH2+][C@H](C)CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925700054 646423339 /nfs/dbraw/zinc/42/33/39/646423339.db2.gz NFUFJWQFIBOGLV-GHMZBOCLSA-N 2 0 211.353 0.859 20 0 BCADRP [NH3+][C@@H]1C[C@@H](NCC2([NH3+])CCC2)C12CCC2 ZINC000925698462 646423372 /nfs/dbraw/zinc/42/33/72/646423372.db2.gz JTERJWXSSDGQFJ-NXEZZACHSA-N 2 0 209.337 0.727 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CNCCOC2)CC1 ZINC000925699024 646423810 /nfs/dbraw/zinc/42/38/10/646423810.db2.gz IJAXWSVFHZMPPS-JHJVBQTASA-N 2 0 241.379 0.330 20 0 BCADRP C1[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C12CC[NH2+]CC2 ZINC000925703638 646427711 /nfs/dbraw/zinc/42/77/11/646427711.db2.gz DNMBMDVLLDIPCE-XNBXPENISA-N 3 0 247.386 0.715 20 0 BCADRP [NH3+][C@@H]1C[C@H](N[C@H]2C[NH2+]CCC2(F)F)C12CCC2 ZINC000925703092 646427875 /nfs/dbraw/zinc/42/78/75/646427875.db2.gz BYNMVWDQHQXHNR-UTLUCORTSA-N 2 0 245.317 0.843 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CNCCO2)C1 ZINC000925704008 646428922 /nfs/dbraw/zinc/42/89/22/646428922.db2.gz FSHGCBAJXSEIIP-IJLUTSLNSA-N 2 0 241.379 0.470 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000930094510 646431746 /nfs/dbraw/zinc/43/17/46/646431746.db2.gz KIZGVWCBLMOUFH-NEPJUHHUSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CC[NH2+]C1)[NH2+]2 ZINC000925708104 646432229 /nfs/dbraw/zinc/43/22/29/646432229.db2.gz CRECLKWBLYWMIJ-NGDQXYMTSA-N 2 0 209.337 0.467 20 0 BCADRP [NH3+][C@@H]1C[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C12CCC2 ZINC000925707544 646432806 /nfs/dbraw/zinc/43/28/06/646432806.db2.gz LEIRDEQSVWENIB-MMWGEVLESA-N 2 0 227.327 0.546 20 0 BCADRP [NH3+]Cc1ccc(CN[C@@H]2C[NH2+]CCOC2)cc1 ZINC000925709302 646433885 /nfs/dbraw/zinc/43/38/85/646433885.db2.gz HVNDFGJJCBGXEO-CYBMUJFWSA-N 2 0 235.331 0.223 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925709690 646434560 /nfs/dbraw/zinc/43/45/60/646434560.db2.gz PSSQIRDJGJWCPP-UTUOFQBUSA-N 3 0 223.364 0.988 20 0 BCADRP [NH3+][C@@H]1C[C@@H](N[C@H]2CCCC[NH2+]C2)C12CCC2 ZINC000925710538 646435063 /nfs/dbraw/zinc/43/50/63/646435063.db2.gz WROJQUSFVDGFHO-QJPTWQEYSA-N 2 0 223.364 0.988 20 0 BCADRP C[C@@H]1CC[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)C[NH2+]1 ZINC000925716122 646440739 /nfs/dbraw/zinc/44/07/39/646440739.db2.gz BERADOPEDNQTGB-WISYIIOYSA-N 2 0 211.353 0.857 20 0 BCADRP [NH3+]CCCOCCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925719363 646444973 /nfs/dbraw/zinc/44/49/73/646444973.db2.gz SVUIUTDUWFCQKH-GFCCVEGCSA-N 2 0 241.379 0.616 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NCC1([NH3+])CCOCC1 ZINC000925721334 646445633 /nfs/dbraw/zinc/44/56/33/646445633.db2.gz ZGXIZHBKYYVHDC-GHMZBOCLSA-N 2 0 227.352 0.224 20 0 BCADRP O[C@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925727957 646451428 /nfs/dbraw/zinc/45/14/28/646451428.db2.gz CINOSSWVBVBEGA-GMTAPVOTSA-N 2 0 210.321 0.632 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000925726502 646452773 /nfs/dbraw/zinc/45/27/73/646452773.db2.gz IWTBXGZSGICSOF-LHGLFWEFSA-N 3 0 223.364 0.829 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000925729028 646453357 /nfs/dbraw/zinc/45/33/57/646453357.db2.gz OCGBBFHRINNCLM-YIYTYNFBSA-N 2 0 239.363 0.746 20 0 BCADRP C[C@@H](NC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000925783550 646464128 /nfs/dbraw/zinc/46/41/28/646464128.db2.gz DHPZENRFEDSNHM-WISYIIOYSA-N 2 0 211.353 0.572 20 0 BCADRP Nc1cc[nH+]c(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000925766772 646468540 /nfs/dbraw/zinc/46/85/40/646468540.db2.gz LVWKIQZSUAMQOT-JOYOIKCWSA-N 2 0 220.320 0.881 20 0 BCADRP [NH3+]C1CCC([NH2+][C@H](CO)C[C@H]2CCCO2)CC1 ZINC000925767471 646468632 /nfs/dbraw/zinc/46/86/32/646468632.db2.gz PMSOAEARPJXYTA-IFWUJCSASA-N 2 0 242.363 0.776 20 0 BCADRP Nc1cc[nH+]c(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000925766773 646469374 /nfs/dbraw/zinc/46/93/74/646469374.db2.gz LVWKIQZSUAMQOT-SKDRFNHKSA-N 2 0 220.320 0.881 20 0 BCADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000925773620 646473970 /nfs/dbraw/zinc/47/39/70/646473970.db2.gz FEKXDCCQDWISDK-LOWDOPEQSA-N 2 0 242.363 0.897 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000925781369 646477995 /nfs/dbraw/zinc/47/79/95/646477995.db2.gz DMCGMCUZPLVCGB-HNCHTBHHSA-N 2 0 223.364 0.809 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925778833 646478058 /nfs/dbraw/zinc/47/80/58/646478058.db2.gz FRXDOMPWOUNUDB-ZNSHCXBVSA-N 2 0 209.337 0.454 20 0 BCADRP C[C@H](CCCCO)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925783851 646479521 /nfs/dbraw/zinc/47/95/21/646479521.db2.gz LIICPTPAIQQJKG-GMTAPVOTSA-N 2 0 200.326 0.735 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000925785346 646481062 /nfs/dbraw/zinc/48/10/62/646481062.db2.gz WJZDYNBEXPPJTH-MROQNXINSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[NH2+]CC[C@@H]1C ZINC000925786745 646482960 /nfs/dbraw/zinc/48/29/60/646482960.db2.gz VSGBHFJOHNFXQD-WHOHXGKFSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000925786744 646483559 /nfs/dbraw/zinc/48/35/59/646483559.db2.gz VSGBHFJOHNFXQD-IRCOFANPSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NCCN1CCC([NH3+])CC1 ZINC000925816873 646491375 /nfs/dbraw/zinc/49/13/75/646491375.db2.gz KKTKGEPXFCFNQF-YPMHNXCESA-N 2 0 240.395 0.140 20 0 BCADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)[C@@H]1CCCO1 ZINC000925813806 646492466 /nfs/dbraw/zinc/49/24/66/646492466.db2.gz ZEMIVSJJHTUNRD-YPMHNXCESA-N 2 0 241.379 0.567 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NCCN1CCC([NH3+])CC1 ZINC000925816872 646492632 /nfs/dbraw/zinc/49/26/32/646492632.db2.gz KKTKGEPXFCFNQF-WCQYABFASA-N 2 0 240.395 0.140 20 0 BCADRP CC[C@H](CN1CCOCC1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000925825818 646497990 /nfs/dbraw/zinc/49/79/90/646497990.db2.gz IGANQHLAUGQATE-DGCLKSJQSA-N 2 0 241.379 0.295 20 0 BCADRP CCO[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)C[NH+](C)C ZINC000925836230 646503950 /nfs/dbraw/zinc/50/39/50/646503950.db2.gz JCJGWZHDTDMCHM-RWMBFGLXSA-N 2 0 243.395 0.813 20 0 BCADRP CCO[C@@H](CN[C@@H]1CC[NH2+]C1(C)C)C[NH+](C)C ZINC000925838795 646506667 /nfs/dbraw/zinc/50/66/67/646506667.db2.gz OBKPUSLXDJCGJW-NWDGAFQWSA-N 2 0 243.395 0.683 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CNOC2)C1 ZINC000925860596 646512785 /nfs/dbraw/zinc/51/27/85/646512785.db2.gz SDQQVJATFGPDNI-OPRDCNLKSA-N 2 0 213.325 0.385 20 0 BCADRP CCC[C@H](O)CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000925860395 646513214 /nfs/dbraw/zinc/51/32/14/646513214.db2.gz YCFKBORYSIQKAQ-YVECIDJPSA-N 2 0 244.379 0.879 20 0 BCADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CNOC1 ZINC000925863767 646516900 /nfs/dbraw/zinc/51/69/00/646516900.db2.gz FLRBLFFKEUIRFV-KOLCDFICSA-N 2 0 236.319 0.403 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCO[C@@H]1CCOC1 ZINC000925874308 646523843 /nfs/dbraw/zinc/52/38/43/646523843.db2.gz IJLAFGPZZWVZJZ-GARJFASQSA-N 2 0 216.325 0.507 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000925874056 646524778 /nfs/dbraw/zinc/52/47/78/646524778.db2.gz GZSPECVSOGTVJZ-XQQFMLRXSA-N 2 0 242.363 0.899 20 0 BCADRP [NH3+]C1CCC([NH2+]CCO[C@@H]2CCOC2)CC1 ZINC000925875180 646525995 /nfs/dbraw/zinc/52/59/95/646525995.db2.gz QBLRRPWBNHKKKB-HTAVTVPLSA-N 2 0 228.336 0.651 20 0 BCADRP CCOCCOCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000925875151 646526325 /nfs/dbraw/zinc/52/63/25/646526325.db2.gz PMNMLDUAJJWOND-MNOVXSKESA-N 2 0 218.341 0.755 20 0 BCADRP C[C@H]([NH2+]CCOC1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000925878275 646528051 /nfs/dbraw/zinc/52/80/51/646528051.db2.gz UCAARNOBZPWHMD-NWDGAFQWSA-N 2 0 242.363 0.770 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCO[C@H]2CCOC2)C1 ZINC000925876252 646528163 /nfs/dbraw/zinc/52/81/63/646528163.db2.gz ZYDRRJAIKAORHZ-WOPDTQHZSA-N 2 0 228.336 0.651 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925879974 646529151 /nfs/dbraw/zinc/52/91/51/646529151.db2.gz NLDFQWBUFDSZHB-BUWWMVEJSA-N 3 0 235.375 0.700 20 0 BCADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000925880176 646529381 /nfs/dbraw/zinc/52/93/81/646529381.db2.gz PHVRMSACXZBQCJ-USZNOCQGSA-N 3 0 211.353 0.844 20 0 BCADRP Cc1noc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000723690944 711534222 /nfs/dbraw/zinc/53/42/22/711534222.db2.gz CRQLUDUVBGYEEX-SECBINFHSA-N 2 0 210.281 0.549 20 0 BCADRP CCc1noc(CN2CC[C@H](CC[NH3+])C2)n1 ZINC000723701870 711535487 /nfs/dbraw/zinc/53/54/87/711535487.db2.gz VYGFWMYUSLRXFQ-VIFPVBQESA-N 2 0 224.308 0.803 20 0 BCADRP COC[C@H](C)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723708772 711535389 /nfs/dbraw/zinc/53/53/89/711535389.db2.gz ICHKAEHCJAXKOI-MNOVXSKESA-N 2 0 200.326 0.940 20 0 BCADRP Cc1c[nH]nc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723703739 711535758 /nfs/dbraw/zinc/53/57/58/711535758.db2.gz VRWKEXMHERRQIP-JTQLQIEISA-N 2 0 208.309 0.889 20 0 BCADRP C[N@H+](CCC[NH3+])C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724555115 711589668 /nfs/dbraw/zinc/58/96/68/711589668.db2.gz BLYPHTMUTJKCGC-VWYCJHECSA-N 2 0 214.309 0.071 20 0 BCADRP [NH3+]C[C@H]1CC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724913210 711626837 /nfs/dbraw/zinc/62/68/37/711626837.db2.gz FPDHMZKQPLDYCE-MNOVXSKESA-N 2 0 214.309 0.073 20 0 BCADRP C[C@@H]1C[N@H+](CCO[C@@H]2CCOC2)CC[C@H]1[NH3+] ZINC000724912402 711627038 /nfs/dbraw/zinc/62/70/38/711627038.db2.gz CWOFGRGSHXIXCA-IJLUTSLNSA-N 2 0 228.336 0.461 20 0 BCADRP C[C@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)CC[NH+]1C ZINC000383376610 711657552 /nfs/dbraw/zinc/65/75/52/711657552.db2.gz DASRKNDRVKMKCA-WCQYABFASA-N 2 0 241.379 0.077 20 0 BCADRP COC(=O)N[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000396745499 711703386 /nfs/dbraw/zinc/70/33/86/711703386.db2.gz YAZKRBUHMYAMLK-QWRGUYRKSA-N 2 0 241.335 0.416 20 0 BCADRP Cc1cc(NCC2([NH+](C)C)CC2)nc(N)[nH+]1 ZINC000397843186 711707408 /nfs/dbraw/zinc/70/74/08/711707408.db2.gz HHSOKUCOBWHCPR-UHFFFAOYSA-N 2 0 221.308 0.126 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000191987354 711707605 /nfs/dbraw/zinc/70/76/05/711707605.db2.gz BFFPHDIFHAZJGI-IVZWLZJFSA-N 2 0 213.325 0.310 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(C)(C)O)C1 ZINC000721835317 711779423 /nfs/dbraw/zinc/77/94/23/711779423.db2.gz FTRRWRJBYMXDRQ-NWDGAFQWSA-N 2 0 244.379 0.392 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@]3(CCOC3)C2)C1 ZINC000707240532 712167530 /nfs/dbraw/zinc/16/75/30/712167530.db2.gz MGJALIRNJJZBLP-TUAOUCFPSA-N 2 0 210.321 0.836 20 0 BCADRP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708065669 712173423 /nfs/dbraw/zinc/17/34/23/712173423.db2.gz PMZHUYLMMQHPMJ-IJLUTSLNSA-N 2 0 241.379 0.818 20 0 BCADRP COC[C@@H](C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)OC ZINC000708112717 712182159 /nfs/dbraw/zinc/18/21/59/712182159.db2.gz SBEHLQKRGJHXPM-GMTAPVOTSA-N 2 0 216.325 0.174 20 0 BCADRP CN1CC[C@@H]([N@H+](C)CCCCCC[NH3+])C1=O ZINC000708522866 712211593 /nfs/dbraw/zinc/21/15/93/712211593.db2.gz KILJVTNEZVOCFH-LLVKDONJSA-N 2 0 227.352 0.668 20 0 BCADRP COC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709779616 712217677 /nfs/dbraw/zinc/21/76/77/712217677.db2.gz VRZLXKMAEPKVPH-NEPJUHHUSA-N 2 0 228.336 0.069 20 0 BCADRP COCCCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710665588 712265178 /nfs/dbraw/zinc/26/51/78/712265178.db2.gz SEOUBOSOQKAYRU-UHFFFAOYSA-N 2 0 244.379 0.802 20 0 BCADRP C[C@@H](CO)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710650640 712265371 /nfs/dbraw/zinc/26/53/71/712265371.db2.gz XZGOPANREADEGR-LLVKDONJSA-N 2 0 230.352 0.003 20 0 BCADRP C[C@@H](O)CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710649933 712265575 /nfs/dbraw/zinc/26/55/75/712265575.db2.gz SQDBEYYCARRVKR-LLVKDONJSA-N 2 0 230.352 0.146 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000711380688 712296011 /nfs/dbraw/zinc/29/60/11/712296011.db2.gz HMCJLLMAXOHIKO-SNVBAGLBSA-N 2 0 225.336 0.054 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711385622 712296811 /nfs/dbraw/zinc/29/68/11/712296811.db2.gz OVWHGVSYAGUPGI-QWRGUYRKSA-N 2 0 241.379 0.688 20 0 BCADRP C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)OC1CC1 ZINC000711705052 712318673 /nfs/dbraw/zinc/31/86/73/712318673.db2.gz SKJHIPRFHBRWIC-WDEREUQCSA-N 2 0 210.321 0.707 20 0 BCADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000381548179 712396203 /nfs/dbraw/zinc/39/62/03/712396203.db2.gz LMWJKCZKRYDFRQ-TUAOUCFPSA-N 2 0 228.336 0.055 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)CC[NH2+]C(C)(C)C ZINC000712597113 712435958 /nfs/dbraw/zinc/43/59/58/712435958.db2.gz KZIRTNDKLGGBFJ-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP C[N@@H+]1CCN(C(=O)CC2([NH3+])CC2)CCC1(C)C ZINC000712621202 712438822 /nfs/dbraw/zinc/43/88/22/712438822.db2.gz GNCKXVVGAGHTNW-UHFFFAOYSA-N 2 0 239.363 0.811 20 0 BCADRP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000714244296 712480119 /nfs/dbraw/zinc/48/01/19/712480119.db2.gz FVVOJEUTEDBZFF-GWOFURMSSA-N 2 0 246.376 0.279 20 0 BCADRP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000714244298 712480279 /nfs/dbraw/zinc/48/02/79/712480279.db2.gz FVVOJEUTEDBZFF-XWLWVQCSSA-N 2 0 246.376 0.279 20 0 BCADRP CC1(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)OCCO1 ZINC000715896182 712540797 /nfs/dbraw/zinc/54/07/97/712540797.db2.gz SVFVRZQVZCEWES-MNOVXSKESA-N 2 0 228.336 0.999 20 0 BCADRP CC1(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)OCCO1 ZINC000716033752 712547189 /nfs/dbraw/zinc/54/71/89/712547189.db2.gz NKVOHBALXNBIIH-QWRGUYRKSA-N 2 0 240.347 0.999 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000876795670 712629769 /nfs/dbraw/zinc/62/97/69/712629769.db2.gz HLVUTAJJSNMPHM-CHWFTXMASA-N 2 0 243.326 0.143 20 0 BCADRP O=C(C[NH2+]CC1CC1)NCC[NH+]1CCCC1 ZINC000037478310 712648292 /nfs/dbraw/zinc/64/82/92/712648292.db2.gz ARAPAPBQDBTQPH-UHFFFAOYSA-N 2 0 225.336 0.198 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037485374 712650707 /nfs/dbraw/zinc/65/07/07/712650707.db2.gz FXZBNNDWKTWROK-NXEZZACHSA-N 2 0 225.336 0.324 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)CCCCC[NH3+])C1 ZINC000037484892 712650715 /nfs/dbraw/zinc/65/07/15/712650715.db2.gz HPIAPYGMKSRFAB-LLVKDONJSA-N 2 0 227.352 0.573 20 0 BCADRP C[C@H](C[NH2+][C@H](C)C[C@H]1CCC(=O)N1)C[NH+](C)C ZINC000380093652 712685601 /nfs/dbraw/zinc/68/56/01/712685601.db2.gz VMXMZWFUUZZCKZ-IJLUTSLNSA-N 2 0 241.379 0.831 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000389681764 712689905 /nfs/dbraw/zinc/68/99/05/712689905.db2.gz XWTWXLGQEWEXNQ-NEPJUHHUSA-N 2 0 239.363 0.714 20 0 BCADRP COCC(COC)[NH+]1CCC([NH3+])CC1 ZINC000384850692 712703159 /nfs/dbraw/zinc/70/31/59/712703159.db2.gz LKVSVWYBMHWPQY-UHFFFAOYSA-N 2 0 202.298 0.071 20 0 BCADRP C[C@H]([NH2+]CCS(C)(=O)=O)C1CC[NH+](C)CC1 ZINC000037740721 712753617 /nfs/dbraw/zinc/75/36/17/712753617.db2.gz KQHQWTDPPBYWMC-JTQLQIEISA-N 2 0 248.392 0.351 20 0 BCADRP NC(=O)CC1CC([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000718408029 712759612 /nfs/dbraw/zinc/75/96/12/712759612.db2.gz WRWFBIZWNVIONX-QONHTCSSSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@@H]1[C@@H](NC[C@H](O)C[NH+](C)C2CC2)CC[N@@H+]1C ZINC000719634352 712814947 /nfs/dbraw/zinc/81/49/47/712814947.db2.gz BLGYUSGOPPUTFS-WXHSDQCUSA-N 2 0 241.379 0.124 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCO[C@H](C)CC1 ZINC000719783306 712824514 /nfs/dbraw/zinc/82/45/14/712824514.db2.gz SFYHMQSXVGZNRL-UTUOFQBUSA-N 2 0 212.337 0.953 20 0 BCADRP Cn1ncc(C[NH2+]CCCC[NH+](C)C)n1 ZINC000380233373 712835787 /nfs/dbraw/zinc/83/57/87/712835787.db2.gz LUGYUQYFOHDPKP-UHFFFAOYSA-N 2 0 211.313 0.247 20 0 BCADRP CC[NH2+]CC(=O)NCC([NH3+])(CC)CC ZINC000380269570 712856912 /nfs/dbraw/zinc/85/69/12/712856912.db2.gz VNBAEOXTVHVNIL-UHFFFAOYSA-N 2 0 201.314 0.230 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CC(C)(C)[NH3+] ZINC000720900859 712875489 /nfs/dbraw/zinc/87/54/89/712875489.db2.gz RULDLJZECXBJEE-QWRGUYRKSA-N 2 0 239.363 0.809 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720894652 712875690 /nfs/dbraw/zinc/87/56/90/712875690.db2.gz WGWKBLQNRYCSSF-GARJFASQSA-N 2 0 225.336 0.419 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720897518 712876683 /nfs/dbraw/zinc/87/66/83/712876683.db2.gz HTKCPCDZEOIPMH-GARJFASQSA-N 2 0 225.336 0.289 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720896729 712876724 /nfs/dbraw/zinc/87/67/24/712876724.db2.gz DHSIGCVARHPOKH-WOPDTQHZSA-N 2 0 239.363 0.665 20 0 BCADRP CNC(=O)[C@H](C)C[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721040320 712887751 /nfs/dbraw/zinc/88/77/51/712887751.db2.gz QPKXUGUJSUGLLP-MXWKQRLJSA-N 2 0 227.352 0.156 20 0 BCADRP C[C@@]1(C[NH2+]C2CCC([NH3+])CC2)CC[NH2+]C1 ZINC000381165185 710605184 /nfs/dbraw/zinc/60/51/84/710605184.db2.gz SGTSJCSLJUEZQQ-HTAVTVPLSA-N 3 0 211.353 0.846 20 0 BCADRP CCC[N@H+](CCCCCC[NH3+])CC(=O)NC ZINC000381192867 710607568 /nfs/dbraw/zinc/60/75/68/710607568.db2.gz ZDWANQJPALVDJV-UHFFFAOYSA-N 2 0 229.368 0.964 20 0 BCADRP C(C1CCOCC1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000381269476 710615005 /nfs/dbraw/zinc/61/50/05/710615005.db2.gz VFSCJENIKFYBEU-QWHCGFSZSA-N 2 0 224.348 0.954 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)CCCCCC[NH3+] ZINC000381294029 710617387 /nfs/dbraw/zinc/61/73/87/710617387.db2.gz FPZLFNSAELJETR-JTQLQIEISA-N 2 0 215.341 0.749 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000381478084 710643169 /nfs/dbraw/zinc/64/31/69/710643169.db2.gz BBLWLXRFJIACBA-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP CC[NH2+]CC(=O)N1CCC(C[NH2+]C)CC1 ZINC000381495830 710646898 /nfs/dbraw/zinc/64/68/98/710646898.db2.gz MITQYCAQXWFJSC-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP CC(C)[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000381506470 710649103 /nfs/dbraw/zinc/64/91/03/710649103.db2.gz FBPOXCKNWIVNCY-YNEHKIRRSA-N 2 0 226.364 0.887 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000381578680 710656645 /nfs/dbraw/zinc/65/66/45/710656645.db2.gz DLMZSNPXKALLDS-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039028041 710716920 /nfs/dbraw/zinc/71/69/20/710716920.db2.gz LZKYIVLIBMDYPU-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CO[C@H]1COCC[C@H]1[N@H+](C)CCC[NH3+] ZINC000381839922 710733092 /nfs/dbraw/zinc/73/30/92/710733092.db2.gz STZOPVOZNICFCO-ZJUUUORDSA-N 2 0 202.298 0.071 20 0 BCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CC[NH3+] ZINC000723891078 710733114 /nfs/dbraw/zinc/73/31/14/710733114.db2.gz JVAGBRCFILZBCI-VXGBXAGGSA-N 2 0 239.363 0.526 20 0 BCADRP CO[C@@H]1COCC[C@H]1[N@H+](C)CCC[NH3+] ZINC000381839912 710733141 /nfs/dbraw/zinc/73/31/41/710733141.db2.gz STZOPVOZNICFCO-NXEZZACHSA-N 2 0 202.298 0.071 20 0 BCADRP C[C@H]([NH3+])CN(C)CCO[C@H]1CCOC1 ZINC000724917218 710748813 /nfs/dbraw/zinc/74/88/13/710748813.db2.gz XJQOPBNOCVJILY-UWVGGRQHSA-N 2 0 202.298 0.071 20 0 BCADRP C[C@@H]1C[N@H+](CCO[C@@H]2CCOC2)CC[C@@H]1C[NH3+] ZINC000724995988 710753132 /nfs/dbraw/zinc/75/31/32/710753132.db2.gz XSZCSKLWKMOMGU-JHJVBQTASA-N 2 0 242.363 0.709 20 0 BCADRP CC(C)(C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C(N)=O ZINC000383045338 710868275 /nfs/dbraw/zinc/86/82/75/710868275.db2.gz IQNIMOQDIJOBNE-MFDAYCCISA-N 2 0 237.347 0.084 20 0 BCADRP NC(=O)CC1CC[NH+](C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000383767379 710915429 /nfs/dbraw/zinc/91/54/29/710915429.db2.gz MSBLPTFKKQISIO-NWDGAFQWSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@]1(C(N)=O)CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000382502891 710971384 /nfs/dbraw/zinc/97/13/84/710971384.db2.gz RXWAIBXQFDPTFH-LBPRGKRZSA-N 2 0 225.336 0.326 20 0 BCADRP CNC(=O)[C@H](C)C[N@H+](C)CCC[NH2+]C1CC1 ZINC000382528966 710972510 /nfs/dbraw/zinc/97/25/10/710972510.db2.gz IYSPRZUGSNFZTD-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC1CCC([NH3+])CC1 ZINC000383166664 710978051 /nfs/dbraw/zinc/97/80/51/710978051.db2.gz OVLBQVLDJVLMEU-FKTRJACZSA-N 2 0 225.336 0.513 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000380652896 712902204 /nfs/dbraw/zinc/90/22/04/712902204.db2.gz RDNGWQYQEZNHSV-NXEZZACHSA-N 2 0 235.322 0.995 20 0 BCADRP [NH3+]CCCCCC[NH+]1CCC(O)CC1 ZINC000385841318 711018246 /nfs/dbraw/zinc/01/82/46/711018246.db2.gz NPOMVOYUEPMFRY-UHFFFAOYSA-N 2 0 200.326 0.962 20 0 BCADRP CN1CCC[NH+]=C1NCC1(C)CC[NH+](C)CC1 ZINC000386610063 711034137 /nfs/dbraw/zinc/03/41/37/711034137.db2.gz WMERKTNSYUOKRO-UHFFFAOYSA-N 2 0 238.379 0.999 20 0 BCADRP CC(C)NC(=[NH2+])NC[C@H](C)C[NH+](C)C ZINC000389298729 711075784 /nfs/dbraw/zinc/07/57/84/711075784.db2.gz HULCWVXMKZDVBP-VIFPVBQESA-N 2 0 200.330 0.706 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)CCCCCC[NH3+] ZINC000390504213 711121339 /nfs/dbraw/zinc/12/13/39/711121339.db2.gz WEYNAEYCNLOFMG-SNVBAGLBSA-N 2 0 215.341 0.607 20 0 BCADRP CC[N@H+](CCCCCC[NH3+])CC(=O)N(C)C ZINC000390582470 711127149 /nfs/dbraw/zinc/12/71/49/711127149.db2.gz PWAYCPCLZUFDJL-UHFFFAOYSA-N 2 0 229.368 0.916 20 0 BCADRP CCN(CC)C(=O)C[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000393882301 711177931 /nfs/dbraw/zinc/17/79/31/711177931.db2.gz NKTXKVNOXWZSAB-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@@]2(CO)CCOC2)CC1 ZINC000393892838 711178388 /nfs/dbraw/zinc/17/83/88/711178388.db2.gz MXRGIDKKNWDNGZ-GFCCVEGCSA-N 2 0 228.336 0.069 20 0 BCADRP CCC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)COC1 ZINC000393959379 711180220 /nfs/dbraw/zinc/18/02/20/711180220.db2.gz NWVKNTPXVGSBML-OBPIAQAESA-N 2 0 236.359 0.999 20 0 BCADRP CC[N@@H+]1CC[C@H](CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000394158167 711187530 /nfs/dbraw/zinc/18/75/30/711187530.db2.gz UBYUUEVJJPOSPE-DBWOOVFOSA-N 2 0 249.402 0.914 20 0 BCADRP C[C@H](CCCO)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000394984678 711200308 /nfs/dbraw/zinc/20/03/08/711200308.db2.gz HRPJKDZABVABLX-QQOHENMQSA-N 2 0 238.375 0.981 20 0 BCADRP CN1CCC[NH+]=C1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000395132319 711204031 /nfs/dbraw/zinc/20/40/31/711204031.db2.gz QVEDFKKPVKIGTO-LLVKDONJSA-N 2 0 236.363 0.752 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000395384835 711210586 /nfs/dbraw/zinc/21/05/86/711210586.db2.gz MQSDBWXYQXMQPS-LLVKDONJSA-N 2 0 216.325 0.319 20 0 BCADRP COC(=O)N[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000396745498 711369528 /nfs/dbraw/zinc/36/95/28/711369528.db2.gz YAZKRBUHMYAMLK-MNOVXSKESA-N 2 0 241.335 0.416 20 0 BCADRP C[N@H+](CCCCCC[NH3+])CC(=O)NC1CC1 ZINC000381091762 710601983 /nfs/dbraw/zinc/60/19/83/710601983.db2.gz VIVMISZVYNQNNT-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP CC(C)NC(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000381093236 710602180 /nfs/dbraw/zinc/60/21/80/710602180.db2.gz VVCJUCWQLYYRHD-UHFFFAOYSA-N 2 0 229.368 0.962 20 0 BCADRP [NH3+][C@@H](CC(=O)N1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000381280500 710616503 /nfs/dbraw/zinc/61/65/03/710616503.db2.gz YANMVIMECLPKBP-ZJUUUORDSA-N 2 0 211.309 0.064 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000724563546 710741954 /nfs/dbraw/zinc/74/19/54/710741954.db2.gz NGMDFFFKEZVFBO-ZDEQEGDKSA-N 2 0 240.347 0.332 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000724564295 710742293 /nfs/dbraw/zinc/74/22/93/710742293.db2.gz VJNFHTDFTRRXRT-FIQHERPVSA-N 2 0 226.320 0.071 20 0 BCADRP COCC(COC)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000385008643 711002520 /nfs/dbraw/zinc/00/25/20/711002520.db2.gz XGSRWIZJBSYNFU-WCFLWFBJSA-N 2 0 242.363 0.707 20 0 BCADRP C[C@H](CNC1=[NH+]CCCN1C)C[NH+](C)C ZINC000386542598 711032705 /nfs/dbraw/zinc/03/27/05/711032705.db2.gz DSFBPQUXYUTZIS-SNVBAGLBSA-N 2 0 212.341 0.465 20 0 BCADRP Cn1ncc(CN[C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000389834303 711090818 /nfs/dbraw/zinc/09/08/18/711090818.db2.gz MIVRHBJSFHFWTJ-MWLCHTKSSA-N 2 0 223.324 0.422 20 0 BCADRP C1=CC[N@H+](CCN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000392264828 711144955 /nfs/dbraw/zinc/14/49/55/711144955.db2.gz VJRSWXKUKLWACF-LXFSFDBISA-N 2 0 247.386 0.834 20 0 BCADRP C1=CC[N@H+](CCN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000392264829 711145173 /nfs/dbraw/zinc/14/51/73/711145173.db2.gz VJRSWXKUKLWACF-XPABHHOTSA-N 2 0 247.386 0.834 20 0 BCADRP C[C@H](CCO)CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000397744342 711390699 /nfs/dbraw/zinc/39/06/99/711390699.db2.gz IOMZEBXJDICQFL-VZKILSJISA-N 2 0 238.375 0.981 20 0 BCADRP COC[C@H](O)C[N@H+](C)CCCCCC[NH3+] ZINC000385889776 711466231 /nfs/dbraw/zinc/46/62/31/711466231.db2.gz YXPBFIVQAYRQJZ-LLVKDONJSA-N 2 0 218.341 0.445 20 0 BCADRP NC(=O)c1cccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000723669408 711532892 /nfs/dbraw/zinc/53/28/92/711532892.db2.gz JCIDHFOQSICVEX-LLVKDONJSA-N 2 0 247.342 0.956 20 0 BCADRP CCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723697867 711534518 /nfs/dbraw/zinc/53/45/18/711534518.db2.gz CXVCWMKXJDMZBG-ZJUUUORDSA-N 2 0 214.309 0.609 20 0 BCADRP CCOC(=O)[C@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723697863 711534959 /nfs/dbraw/zinc/53/49/59/711534959.db2.gz CXVCWMKXJDMZBG-UWVGGRQHSA-N 2 0 214.309 0.609 20 0 BCADRP Cc1noc(CCC[N@@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000723709067 711535703 /nfs/dbraw/zinc/53/57/03/711535703.db2.gz LONSKWAJHORUNE-NSHDSACASA-N 2 0 238.335 0.981 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CC[NH3+] ZINC000723884209 711543467 /nfs/dbraw/zinc/54/34/67/711543467.db2.gz RHUCFTBWUJIFDV-NXEZZACHSA-N 2 0 223.324 0.232 20 0 BCADRP CO[C@H]1CC[C@@H]1[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000724156754 711565120 /nfs/dbraw/zinc/56/51/20/711565120.db2.gz RBZSNABLCCXJOM-RHYQMDGZSA-N 2 0 212.337 0.951 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000892099605 711574681 /nfs/dbraw/zinc/57/46/81/711574681.db2.gz SRZACYQJWXCYPG-KXUCPTDWSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000724564426 711592897 /nfs/dbraw/zinc/59/28/97/711592897.db2.gz TUATZSLFDVGVFZ-YVECIDJPSA-N 2 0 240.347 0.461 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000724808015 711616251 /nfs/dbraw/zinc/61/62/51/711616251.db2.gz CLRRRMKCTBTYPE-UTUOFQBUSA-N 2 0 210.321 0.849 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000724923280 711628753 /nfs/dbraw/zinc/62/87/53/711628753.db2.gz UDDCPGUJKPMJGT-AAEUAGOBSA-N 2 0 242.363 0.851 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@@H](C)C[NH3+] ZINC000380231145 711690004 /nfs/dbraw/zinc/69/00/04/711690004.db2.gz LKWPWKHZMWSYOK-QMMMGPOBSA-N 2 0 201.314 0.215 20 0 BCADRP Cn1nncc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000394947924 711691415 /nfs/dbraw/zinc/69/14/15/711691415.db2.gz ISUDZVYJRUFRLV-UHFFFAOYSA-N 2 0 223.324 0.517 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000925718061 711713574 /nfs/dbraw/zinc/71/35/74/711713574.db2.gz WBMZQJBCIQILKP-AEJSXWLSSA-N 2 0 225.336 0.371 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925718002 711713586 /nfs/dbraw/zinc/71/35/86/711713586.db2.gz FKAYYTGDWLLYBW-LEOWZXHUSA-N 2 0 235.375 0.713 20 0 BCADRP Cn1cnc(CC[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000313302370 711717099 /nfs/dbraw/zinc/71/70/99/711717099.db2.gz PSRPAUSPILZRJW-UHFFFAOYSA-N 2 0 236.363 0.894 20 0 BCADRP C[C@]1(CN2CC[C@]3(CCC[NH2+]3)C2)CC[NH2+]C1 ZINC000335248077 711720579 /nfs/dbraw/zinc/72/05/79/711720579.db2.gz FLZWHBPXBXZWGG-QWHCGFSZSA-N 2 0 223.364 0.814 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925787924 711751709 /nfs/dbraw/zinc/75/17/09/711751709.db2.gz WXJVFQKPNKJKTD-WRWGMCAJSA-N 2 0 223.364 0.701 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000925788104 711751734 /nfs/dbraw/zinc/75/17/34/711751734.db2.gz YFCQXZDNDOMXAG-FVCCEPFGSA-N 3 0 225.380 0.949 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925788083 711751892 /nfs/dbraw/zinc/75/18/92/711751892.db2.gz YAAUAKRQAZMCPZ-VWBGDHHKSA-N 2 0 235.375 0.428 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925787918 711751982 /nfs/dbraw/zinc/75/19/82/711751982.db2.gz WXJVFQKPNKJKTD-NOOOWODRSA-N 2 0 223.364 0.701 20 0 BCADRP OC[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000107153151 711754497 /nfs/dbraw/zinc/75/44/97/711754497.db2.gz UQSBAUOFSIBDTN-NWDGAFQWSA-N 2 0 212.337 0.833 20 0 BCADRP Cc1cc(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])nn1C ZINC000925833871 711759918 /nfs/dbraw/zinc/75/99/18/711759918.db2.gz LCMNECFGKUUFMW-VXGBXAGGSA-N 2 0 222.336 0.740 20 0 BCADRP CC(C)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251690821 711764206 /nfs/dbraw/zinc/76/42/06/711764206.db2.gz IHVIVCITQCQPPB-MNOVXSKESA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C2([NH2+]C)CCC2)C1 ZINC000911635290 711819179 /nfs/dbraw/zinc/81/91/79/711819179.db2.gz RVHQFCBSMOXZJK-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)CC(C)(C)C[NH3+])C1 ZINC000911636244 711819184 /nfs/dbraw/zinc/81/91/84/711819184.db2.gz UZZQNPFNHOUACJ-NSHDSACASA-N 2 0 241.379 0.819 20 0 BCADRP O=C(NC[C@H]1CCCC[NH2+]1)C12CCC(CC1)[NH2+]2 ZINC000911715297 711819329 /nfs/dbraw/zinc/81/93/29/711819329.db2.gz WVGGRKUPJOZPKV-QWKFWESOSA-N 2 0 237.347 0.529 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000130139921 711845524 /nfs/dbraw/zinc/84/55/24/711845524.db2.gz MNCNNPRXMOZKPN-SDDRHHMPSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@@H](O)CC[N@H+](C)CCC[NH2+]C1CC1 ZINC000219856428 711861920 /nfs/dbraw/zinc/86/19/20/711861920.db2.gz GFXJCUILBWDQHW-SNVBAGLBSA-N 2 0 200.326 0.831 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CC2CC2)CC[N@@H+]1C ZINC000382509504 711919680 /nfs/dbraw/zinc/91/96/80/711919680.db2.gz XNUOOYHIHAKRRA-YUSALJHKSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@]1(C(N)=O)CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000700406899 711992072 /nfs/dbraw/zinc/99/20/72/711992072.db2.gz YVMYMKLGQDFFPE-WCQYABFASA-N 2 0 239.363 0.573 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033660926 712011743 /nfs/dbraw/zinc/01/17/43/712011743.db2.gz JKYQINTUBTVIKB-VXGBXAGGSA-N 2 0 239.363 0.491 20 0 BCADRP COC[C@H](C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)OC ZINC000702126468 712039589 /nfs/dbraw/zinc/03/95/89/712039589.db2.gz POFOOTQOXIWOOL-SDDRHHMPSA-N 2 0 228.336 0.189 20 0 BCADRP OCC[C@@H]1COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000702243860 712041811 /nfs/dbraw/zinc/04/18/11/712041811.db2.gz XVUVTZMTFHSSPM-GFCCVEGCSA-N 2 0 228.336 0.069 20 0 BCADRP C[N@@H+]1C[C@@H]2CN(CC34CC(C3)C[NH2+]4)C[C@]2(C)C1 ZINC000702411502 712051334 /nfs/dbraw/zinc/05/13/34/712051334.db2.gz YMTGXADMZJVMLM-DKNRTOFZSA-N 2 0 235.375 0.622 20 0 BCADRP COC1CC(C[N@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000703299933 712071301 /nfs/dbraw/zinc/07/13/01/712071301.db2.gz VSVOCMGYYCZBHZ-UHFFFAOYSA-N 2 0 241.379 0.248 20 0 BCADRP C[N@H+](C[C@H]1CCCC[NH2+]C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000703489754 712077222 /nfs/dbraw/zinc/07/72/22/712077222.db2.gz LTWCWDYPRRSRGM-SDDRHHMPSA-N 2 0 239.363 0.572 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)C2CC([NH3+])C2)C1 ZINC000703588691 712080057 /nfs/dbraw/zinc/08/00/57/712080057.db2.gz WSKGXKWLRBOQEV-ILDUYXDCSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H](C(N)=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000705629495 712133612 /nfs/dbraw/zinc/13/36/12/712133612.db2.gz OVQLCBBFBJVKOT-WCFLWFBJSA-N 2 0 239.363 0.524 20 0 BCADRP COC[C@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000705805149 712135730 /nfs/dbraw/zinc/13/57/30/712135730.db2.gz BTHYYTNSOBZSFT-GFCCVEGCSA-N 2 0 230.352 0.853 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@]3(CCOC3)C2)C1 ZINC000707240525 712167922 /nfs/dbraw/zinc/16/79/22/712167922.db2.gz MGJALIRNJJZBLP-GRYCIOLGSA-N 2 0 210.321 0.836 20 0 BCADRP CN(CCn1cccn1)C[C@H]([NH3+])CC(F)F ZINC000707397188 712170351 /nfs/dbraw/zinc/17/03/51/712170351.db2.gz SMZVJABDQRPFBB-SECBINFHSA-N 2 0 232.278 0.797 20 0 BCADRP CC[C@H](O)C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000709055615 712207150 /nfs/dbraw/zinc/20/71/50/712207150.db2.gz BAFQIJHZGQJCMY-QWRGUYRKSA-N 2 0 200.326 0.961 20 0 BCADRP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CC(C)(C)OC1(C)C ZINC000709695620 712216149 /nfs/dbraw/zinc/21/61/49/712216149.db2.gz GNRCNHFSSXZJLZ-WDEREUQCSA-N 2 0 244.379 0.832 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CCOC1)C2 ZINC000709824752 712228637 /nfs/dbraw/zinc/22/86/37/712228637.db2.gz VGNCJOFKCXPWOP-BJDJZHNGSA-N 2 0 210.321 0.835 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1cccc(Cl)c1 ZINC000710088037 712244876 /nfs/dbraw/zinc/24/48/76/712244876.db2.gz VYMCSPNABLYPHH-UHFFFAOYSA-N 2 0 213.712 0.716 20 0 BCADRP C[N@H+](CCCCCC[NH3+])[C@@H]1CCNC1=O ZINC000710805089 712257342 /nfs/dbraw/zinc/25/73/42/712257342.db2.gz QBSDYTIEOUUGPK-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP C[C@H]1COC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000710845033 712258948 /nfs/dbraw/zinc/25/89/48/712258948.db2.gz MFVASIATTOFYQP-WDEREUQCSA-N 2 0 228.336 0.068 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000710866250 712259918 /nfs/dbraw/zinc/25/99/18/712259918.db2.gz AAJDDMQVIGDBRN-XYPYZODXSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1COC[C@H]1C ZINC000710904406 712262125 /nfs/dbraw/zinc/26/21/25/712262125.db2.gz AWCDGAXFLVVYPX-GMTAPVOTSA-N 2 0 200.326 0.951 20 0 BCADRP COC[C@@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710649129 712264557 /nfs/dbraw/zinc/26/45/57/712264557.db2.gz MYSIRSSJQSMHLR-LLVKDONJSA-N 2 0 230.352 0.410 20 0 BCADRP COCC[C@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710672898 712265201 /nfs/dbraw/zinc/26/52/01/712265201.db2.gz ZCACYHBGPWXFCT-LBPRGKRZSA-N 2 0 244.379 0.800 20 0 BCADRP C[NH+](C)CC1(O)CC[NH+](Cc2cn[nH]c2)CC1 ZINC000710665555 712265222 /nfs/dbraw/zinc/26/52/22/712265222.db2.gz RJVXDJBBRRPQHT-UHFFFAOYSA-N 2 0 238.335 0.298 20 0 BCADRP O=C(CC[N@H+]1CC[C@H](CF)C1)N1CC[NH2+]CC1 ZINC000711453886 712303782 /nfs/dbraw/zinc/30/37/82/712303782.db2.gz LBCAKLFGHSSHJV-LLVKDONJSA-N 2 0 243.326 0.100 20 0 BCADRP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001080936157 712354003 /nfs/dbraw/zinc/35/40/03/712354003.db2.gz LGFQKPOJHSIIRJ-IJLUTSLNSA-N 2 0 239.363 0.395 20 0 BCADRP C[NH2+]CCN(C)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000378845695 712365532 /nfs/dbraw/zinc/36/55/32/712365532.db2.gz RWAYNMBGDYZWKY-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@H]2CCN2C)CC1 ZINC000712613934 712437898 /nfs/dbraw/zinc/43/78/98/712437898.db2.gz PSWKKSBGEGMUPF-GFCCVEGCSA-N 2 0 211.353 0.764 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712672069 712440693 /nfs/dbraw/zinc/44/06/93/712440693.db2.gz GANSASAYGXPONF-WDEREUQCSA-N 2 0 241.379 0.912 20 0 BCADRP Cc1cc(NC[C@@H]2CC[N@H+]2C)nc(N)[nH+]1 ZINC000712537169 712442469 /nfs/dbraw/zinc/44/24/69/712442469.db2.gz CCYKQWFPLNXKJT-QMMMGPOBSA-N 2 0 207.281 0.483 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000712576968 712448078 /nfs/dbraw/zinc/44/80/78/712448078.db2.gz COHMWTPILNNNBQ-QWHCGFSZSA-N 2 0 241.379 0.127 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC[NH3+] ZINC000713096914 712452358 /nfs/dbraw/zinc/45/23/58/712452358.db2.gz DIRHJWSMGIXBQO-QMMMGPOBSA-N 2 0 201.314 0.071 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000713224445 712455660 /nfs/dbraw/zinc/45/56/60/712455660.db2.gz GXIJARHNRMNBPP-MDZLAQPJSA-N 2 0 237.347 0.278 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713254724 712457040 /nfs/dbraw/zinc/45/70/40/712457040.db2.gz JVSMQGXYLINFDS-SCVCMEIPSA-N 2 0 225.336 0.182 20 0 BCADRP C=C/C=C/CC[NH+]1CCC(O)(C[NH3+])CC1 ZINC000713761510 712471843 /nfs/dbraw/zinc/47/18/43/712471843.db2.gz XIGIHMJJHAWXLH-ONEGZZNKSA-N 2 0 210.321 0.904 20 0 BCADRP FC1(F)[C@H]2C[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C[C@H]21 ZINC000715477503 712520831 /nfs/dbraw/zinc/52/08/31/712520831.db2.gz ZDJUFCGVHATADV-LPEHRKFASA-N 2 0 244.285 0.704 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715580439 712527065 /nfs/dbraw/zinc/52/70/65/712527065.db2.gz VCJNSYANFORURQ-GRYCIOLGSA-N 2 0 241.379 0.973 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715580443 712527284 /nfs/dbraw/zinc/52/72/84/712527284.db2.gz VCJNSYANFORURQ-UTUOFQBUSA-N 2 0 241.379 0.973 20 0 BCADRP CC1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])OCCO1 ZINC000716792783 712573938 /nfs/dbraw/zinc/57/39/38/712573938.db2.gz JDUUUIUCQIFQCX-QWRGUYRKSA-N 2 0 228.336 0.857 20 0 BCADRP C[N@H+](CCCF)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000716808276 712575675 /nfs/dbraw/zinc/57/56/75/712575675.db2.gz JJSAWYJVZVYKEG-SNVBAGLBSA-N 2 0 216.300 0.799 20 0 BCADRP CC1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)OCCO1 ZINC000716819652 712577012 /nfs/dbraw/zinc/57/70/12/712577012.db2.gz NUHVFPKZMZHNCL-VHSXEESVSA-N 2 0 214.309 0.609 20 0 BCADRP CC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)OCCO1 ZINC000716903926 712581142 /nfs/dbraw/zinc/58/11/42/712581142.db2.gz SJALEYQAKKXMGC-QJPTWQEYSA-N 2 0 240.347 0.727 20 0 BCADRP CC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)OCCO1 ZINC000716903924 712581202 /nfs/dbraw/zinc/58/12/02/712581202.db2.gz SJALEYQAKKXMGC-IJLUTSLNSA-N 2 0 240.347 0.727 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000876795673 712629665 /nfs/dbraw/zinc/62/96/65/712629665.db2.gz HLVUTAJJSNMPHM-VPOLOUISSA-N 2 0 243.326 0.143 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)CC[NH2+]CC1CC1 ZINC000717225563 712640313 /nfs/dbraw/zinc/64/03/13/712640313.db2.gz FAFGMKZBJWCRFW-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000884016037 712643384 /nfs/dbraw/zinc/64/33/84/712643384.db2.gz KZNSQPPCOGUAOC-ZJUUUORDSA-N 2 0 227.352 0.474 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)[NH3+] ZINC000037475931 712647746 /nfs/dbraw/zinc/64/77/46/712647746.db2.gz LSAZYPIATNNIAL-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP OC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CCC1 ZINC000717604256 712661890 /nfs/dbraw/zinc/66/18/90/712661890.db2.gz PULZRUWYCKXIJB-XNBXPENISA-N 2 0 236.359 0.733 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000037647130 712733917 /nfs/dbraw/zinc/73/39/17/712733917.db2.gz WGNVDACAETWLEY-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000718010514 712735700 /nfs/dbraw/zinc/73/57/00/712735700.db2.gz INAFSPVLFWBNBU-USZNOCQGSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@H]1C(=O)NCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719250599 712801293 /nfs/dbraw/zinc/80/12/93/712801293.db2.gz GUGYEIPNBKKJLQ-YEJSDXFRSA-N 2 0 237.347 0.337 20 0 BCADRP Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc(N)[nH+]1 ZINC000719364743 712806263 /nfs/dbraw/zinc/80/62/63/712806263.db2.gz GSOXXUXUIXEJAH-RKDXNWHRSA-N 2 0 221.308 0.872 20 0 BCADRP C[C@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000720416467 712841205 /nfs/dbraw/zinc/84/12/05/712841205.db2.gz PZYJQSNTCWNGDE-NWDGAFQWSA-N 2 0 240.347 0.618 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C1([NH3+])CC1 ZINC000720884553 712874398 /nfs/dbraw/zinc/87/43/98/712874398.db2.gz CCRCQZDKMZPGLD-VHSXEESVSA-N 2 0 223.320 0.173 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CCC[NH2+]1 ZINC000720903763 712874884 /nfs/dbraw/zinc/87/48/84/712874884.db2.gz VVXRJURUSZHLFI-GRYCIOLGSA-N 2 0 237.347 0.434 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CC(C)(C)[NH3+] ZINC000720900858 712875296 /nfs/dbraw/zinc/87/52/96/712875296.db2.gz RULDLJZECXBJEE-MNOVXSKESA-N 2 0 239.363 0.809 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720894650 712875930 /nfs/dbraw/zinc/87/59/30/712875930.db2.gz WGWKBLQNRYCSSF-AXFHLTTASA-N 2 0 225.336 0.419 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000720907400 712876622 /nfs/dbraw/zinc/87/66/22/712876622.db2.gz LOSOIRDHKDFGMK-FIQHERPVSA-N 2 0 212.337 0.878 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720895504 712876637 /nfs/dbraw/zinc/87/66/37/712876637.db2.gz XWGJZHOOZNRBSB-UTLUCORTSA-N 2 0 211.309 0.029 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC000721011875 712887240 /nfs/dbraw/zinc/88/72/40/712887240.db2.gz YQNQSYBWUJVOAR-UFJRKFNTSA-N 2 0 237.347 0.228 20 0 BCADRP O[C@@H](C[NH2+][C@H]1CC12CCC2)C[NH+]1CCCC1 ZINC000721173800 712894554 /nfs/dbraw/zinc/89/45/54/712894554.db2.gz FXOVZSYWVVOUJI-RYUDHWBXSA-N 2 0 224.348 0.975 20 0 BCADRP C[N@@H+]1CCO[C@H]2CN(c3cccc(N)[nH+]3)C[C@@H]21 ZINC001164669116 719381129 /nfs/dbraw/zinc/38/11/29/719381129.db2.gz PYKZUBNJKOSOHG-UWVGGRQHSA-N 2 0 234.303 0.183 20 0 BCADRP Cc1c[nH+]c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1N ZINC001164666009 719428498 /nfs/dbraw/zinc/42/84/98/719428498.db2.gz AJRCKJKSBKUSMP-RYUDHWBXSA-N 2 0 248.330 0.491 20 0 BCADRP C[NH+](C)[C@H]1CCCN(c2cc(C[NH3+])ncn2)C1 ZINC000383876390 721889178 /nfs/dbraw/zinc/88/91/78/721889178.db2.gz BYPUVJVGOFWLLY-NSHDSACASA-N 2 0 235.335 0.466 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418336906 192025623 /nfs/dbraw/zinc/02/56/23/192025623.db2.gz BAEZMDQQVOKGCJ-MNOVXSKESA-N 2 0 242.367 0.270 20 0 BCADRP COCCC[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000062031626 398139165 /nfs/dbraw/zinc/13/91/65/398139165.db2.gz YKAGIJXGJBGJEV-NSHDSACASA-N 2 0 200.326 0.954 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C1CC1 ZINC000649318410 398142564 /nfs/dbraw/zinc/14/25/64/398142564.db2.gz HFKOBCNMPBYUEG-JLLWLGSASA-N 2 0 237.347 0.337 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NCC[NH+](C)C ZINC000044761385 168322023 /nfs/dbraw/zinc/32/20/23/168322023.db2.gz ZGROSVVGIYCCBI-UHFFFAOYSA-N 2 0 215.341 0.429 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000257694898 349471733 /nfs/dbraw/zinc/47/17/33/349471733.db2.gz MTDUXCFWSOGOIC-OUAUKWLOSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000649322840 398144654 /nfs/dbraw/zinc/14/46/54/398144654.db2.gz PKDKIBWGYOBXAY-JTQLQIEISA-N 2 0 223.320 0.078 20 0 BCADRP CCC[NH2+]CCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418340068 192026164 /nfs/dbraw/zinc/02/61/64/192026164.db2.gz NDOXJUAATDKIFK-NSHDSACASA-N 2 0 242.367 0.285 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000257704723 349482110 /nfs/dbraw/zinc/48/21/10/349482110.db2.gz PEIPLCWNFAJLMW-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000649341958 398158976 /nfs/dbraw/zinc/15/89/76/398158976.db2.gz CQPBTQYRQVRPJF-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062893799 349495196 /nfs/dbraw/zinc/49/51/96/349495196.db2.gz PSZPALVKEDMEFM-DGCLKSJQSA-N 2 0 239.363 0.444 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062902391 349496291 /nfs/dbraw/zinc/49/62/91/349496291.db2.gz UHBNREILEZWOTA-DGCLKSJQSA-N 2 0 239.363 0.444 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159589413 136214458 /nfs/dbraw/zinc/21/44/58/136214458.db2.gz DZUIRTJYRHREEY-LBPRGKRZSA-N 2 0 227.352 0.587 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973204 349503122 /nfs/dbraw/zinc/50/31/22/349503122.db2.gz VWGRGQKDTGHGSC-WDEREUQCSA-N 2 0 225.336 0.420 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000062972772 349503284 /nfs/dbraw/zinc/50/32/84/349503284.db2.gz UVVBUFAJFQQSTB-GHMZBOCLSA-N 2 0 227.352 0.666 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H]([NH3+])CC ZINC000649335044 398152316 /nfs/dbraw/zinc/15/23/16/398152316.db2.gz ARIVPEUHHDRKNJ-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000649335043 398152389 /nfs/dbraw/zinc/15/23/89/398152389.db2.gz ARIVPEUHHDRKNJ-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)CCC(C)(C)[NH3+] ZINC000389998864 398154764 /nfs/dbraw/zinc/15/47/64/398154764.db2.gz RMTCWPDYTXWMKM-QMMMGPOBSA-N 2 0 201.314 0.310 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CC1(C[NH3+])CC1 ZINC000422905943 398157238 /nfs/dbraw/zinc/15/72/38/398157238.db2.gz ZYYBLTWHYWFUAN-NSHDSACASA-N 2 0 241.379 0.947 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000649341527 398158023 /nfs/dbraw/zinc/15/80/23/398158023.db2.gz DKZSJFLXDQPWSM-VXGBXAGGSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)[NH+](C)C ZINC000649355740 398167903 /nfs/dbraw/zinc/16/79/03/398167903.db2.gz FKIMDGKFLCIYIK-FIQHERPVSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@@H](C(=O)NCc1ccc2c(c1)C[NH2+]C2)[NH+](C)C ZINC000649357470 398170304 /nfs/dbraw/zinc/17/03/04/398170304.db2.gz ISWMOVOGUVKXSH-JTQLQIEISA-N 2 0 247.342 0.856 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+](C)C ZINC000649356253 398170516 /nfs/dbraw/zinc/17/05/16/398170516.db2.gz HRRRVSVAOMPLLJ-KXUCPTDWSA-N 2 0 213.325 0.051 20 0 BCADRP C[C@@H](C(=O)N1CC[NH2+][C@H](C)[C@H]1C)[NH+](C)C ZINC000649359680 398171642 /nfs/dbraw/zinc/17/16/42/398171642.db2.gz XZIQPEUJTYWJCJ-BBBLOLIVSA-N 2 0 213.325 0.145 20 0 BCADRP C[C@@H](C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)[NH+](C)C ZINC000649359681 398171658 /nfs/dbraw/zinc/17/16/58/398171658.db2.gz XZIQPEUJTYWJCJ-GUBZILKMSA-N 2 0 213.325 0.145 20 0 BCADRP C[C@H]1CCCN(C(=O)C[NH+](C)C)[C@@H]1C[NH3+] ZINC000167948834 136215440 /nfs/dbraw/zinc/21/54/40/136215440.db2.gz XGADWNMWFKJVAC-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH3+] ZINC000649359847 398171897 /nfs/dbraw/zinc/17/18/97/398171897.db2.gz FPZNKMCNEUWCFK-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CCCN(C(=O)C[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000167931631 136215499 /nfs/dbraw/zinc/21/54/99/136215499.db2.gz ZINWYEIHTMFJEB-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP C[C@@H](C(=O)N1CC[NH2+][C@H](C)[C@@H]1C)[NH+](C)C ZINC000649359682 398172061 /nfs/dbraw/zinc/17/20/61/398172061.db2.gz XZIQPEUJTYWJCJ-UTLUCORTSA-N 2 0 213.325 0.145 20 0 BCADRP CC[C@@H]1CN(C(=O)C[C@@H](C)[NH3+])CC[C@H]1[NH3+] ZINC000390435394 398173723 /nfs/dbraw/zinc/17/37/23/398173723.db2.gz RSUASJOANFWXAL-OPRDCNLKSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H](C(=O)N[C@H]1[C@H](C)CC[NH2+][C@@H]1C)[NH+](C)C ZINC000649361850 398175388 /nfs/dbraw/zinc/17/53/88/398175388.db2.gz GRSPHDIVHXDESV-ZNSHCXBVSA-N 2 0 227.352 0.439 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[NH2+]C1(C)C)[NH+](C)C ZINC000649366579 398176161 /nfs/dbraw/zinc/17/61/61/398176161.db2.gz SMQLRHJTTNSCQR-IUCAKERBSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)[NH+](C)C ZINC000649366484 398176184 /nfs/dbraw/zinc/17/61/84/398176184.db2.gz BECMXBUGLIESRE-BQBZGAKWSA-N 2 0 241.257 0.332 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[NH2+]C1(C)C)[NH+](C)C ZINC000649366578 398176203 /nfs/dbraw/zinc/17/62/03/398176203.db2.gz SMQLRHJTTNSCQR-DTWKUNHWSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)[NH+](C)C ZINC000649366485 398176322 /nfs/dbraw/zinc/17/63/22/398176322.db2.gz BECMXBUGLIESRE-NKWVEPMBSA-N 2 0 241.257 0.332 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@H]1C)[NH+](C)C ZINC000649369352 398178956 /nfs/dbraw/zinc/17/89/56/398178956.db2.gz UAMVKOCFLNOKHX-WISYIIOYSA-N 2 0 241.379 0.768 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[NH+](C)C ZINC000649367780 398180408 /nfs/dbraw/zinc/18/04/08/398180408.db2.gz RWGPNUWGUKQFBU-JFGNBEQYSA-N 2 0 227.352 0.380 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)[NH+](C)C ZINC000649367851 398180519 /nfs/dbraw/zinc/18/05/19/398180519.db2.gz IBIIWYJSUCSDGQ-OUAUKWLOSA-N 2 0 227.352 0.380 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)[NH+](C)C ZINC000649367850 398180894 /nfs/dbraw/zinc/18/08/94/398180894.db2.gz IBIIWYJSUCSDGQ-GARJFASQSA-N 2 0 227.352 0.380 20 0 BCADRP CC[C@@H](C(=O)NC[C@H](C)[NH+]1CCCC1)[NH+](C)C ZINC000533123759 398183935 /nfs/dbraw/zinc/18/39/35/398183935.db2.gz RIRGRGVVHTYHJH-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]1CN(CC[NH2+][C@@H]2CCCC[C@H]2[NH3+])CCO1 ZINC000424293692 398181238 /nfs/dbraw/zinc/18/12/38/398181238.db2.gz PPGSISDRDKAXQA-YNEHKIRRSA-N 2 0 241.379 0.567 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[N@@H+]1C1CC1 ZINC000649348144 398161198 /nfs/dbraw/zinc/16/11/98/398161198.db2.gz AEBNGQIYOWIDST-NPNZPCOPSA-N 2 0 249.358 0.478 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[N@@H+]1C1CC1 ZINC000649348143 398161286 /nfs/dbraw/zinc/16/12/86/398161286.db2.gz AEBNGQIYOWIDST-HYZGHFONSA-N 2 0 249.358 0.478 20 0 BCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CCC[NH2+]1 ZINC000258783982 349514304 /nfs/dbraw/zinc/51/43/04/349514304.db2.gz TYMDMHIQMPNLHA-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H](O)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000649351918 398163982 /nfs/dbraw/zinc/16/39/82/398163982.db2.gz QSODNGJAMUXEKQ-GFCCVEGCSA-N 2 0 235.331 0.975 20 0 BCADRP COC[C@H](C)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000379763096 398164991 /nfs/dbraw/zinc/16/49/91/398164991.db2.gz FYFGWEKNOUFXIW-OLZOCXBDSA-N 2 0 241.379 0.248 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC[N@H+](C)C1CC1 ZINC000576224801 365528565 /nfs/dbraw/zinc/52/85/65/365528565.db2.gz CPOXWYFGCPXWPC-NXEZZACHSA-N 2 0 242.367 0.506 20 0 BCADRP c1ncn(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000336692266 398192671 /nfs/dbraw/zinc/19/26/71/398192671.db2.gz HNICZKBJVWECNU-VXGBXAGGSA-N 2 0 235.335 0.495 20 0 BCADRP CC(C)[NH2+]CCC(=O)N(C)[C@@H](C)C[NH3+] ZINC000380277077 398192865 /nfs/dbraw/zinc/19/28/65/398192865.db2.gz XWYAEDBJHUDDPL-VIFPVBQESA-N 2 0 201.314 0.180 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)N(C)CC[NH+](C)C ZINC000418354239 192027244 /nfs/dbraw/zinc/02/72/44/192027244.db2.gz DUCAAKNRASQUJS-SNVBAGLBSA-N 2 0 230.356 0.045 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000336697769 398201599 /nfs/dbraw/zinc/20/15/99/398201599.db2.gz ZHQVWQJLHRSLII-VHSXEESVSA-N 2 0 215.341 0.317 20 0 BCADRP C[NH2+]CCCN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000649411070 398209902 /nfs/dbraw/zinc/20/99/02/398209902.db2.gz LMJQCOPMFTWSBY-CYBMUJFWSA-N 2 0 241.379 0.393 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000561195412 322996879 /nfs/dbraw/zinc/99/68/79/322996879.db2.gz NYKZAUILGZEDJM-WRWGMCAJSA-N 2 0 239.363 0.489 20 0 BCADRP COC[C@H]([NH3+])C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000576278046 365548402 /nfs/dbraw/zinc/54/84/02/365548402.db2.gz CKPSQJXMEPFELI-KCJUWKMLSA-N 2 0 237.303 0.619 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000576281151 365549343 /nfs/dbraw/zinc/54/93/43/365549343.db2.gz VTYPWSVMABGRHO-DCAQKATOSA-N 2 0 227.352 0.522 20 0 BCADRP CCC[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)OC ZINC000386436732 398207447 /nfs/dbraw/zinc/20/74/47/398207447.db2.gz MCLCXVVEDZLVMN-IJLUTSLNSA-N 2 0 212.337 0.953 20 0 BCADRP CCC[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)OC ZINC000386436733 398207781 /nfs/dbraw/zinc/20/77/81/398207781.db2.gz MCLCXVVEDZLVMN-SDDRHHMPSA-N 2 0 212.337 0.953 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000386661365 398214209 /nfs/dbraw/zinc/21/42/09/398214209.db2.gz SRVBXBCBSHDOAI-GRYCIOLGSA-N 2 0 209.337 0.232 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000386661367 398214327 /nfs/dbraw/zinc/21/43/27/398214327.db2.gz SRVBXBCBSHDOAI-IJLUTSLNSA-N 2 0 209.337 0.232 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000576343411 365570798 /nfs/dbraw/zinc/57/07/98/365570798.db2.gz QHUSMQUVGWPVOI-ZDUSSCGKSA-N 2 0 237.347 0.341 20 0 BCADRP CC(C)([NH3+])CCC(=O)NC1(C[NH3+])CCCC1 ZINC000647805407 398215459 /nfs/dbraw/zinc/21/54/59/398215459.db2.gz ZNYJXCHLILKGJN-UHFFFAOYSA-N 2 0 227.352 0.892 20 0 BCADRP Cc1cc(C)n(CC[N@@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000386749276 398218801 /nfs/dbraw/zinc/21/88/01/398218801.db2.gz GCKOPAWOELZLIE-GFCCVEGCSA-N 2 0 222.336 0.781 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000418362986 192028263 /nfs/dbraw/zinc/02/82/63/192028263.db2.gz BQFKBZGAXVJUIL-AXFHLTTASA-N 2 0 242.367 0.269 20 0 BCADRP c1ncn(C[C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)n1 ZINC000649412983 398209945 /nfs/dbraw/zinc/20/99/45/398209945.db2.gz GUDPJMPIUSRIKY-QWHCGFSZSA-N 2 0 249.362 0.742 20 0 BCADRP CCn1cc(CN(C)C[C@H]2CC[NH2+]C2)cn1 ZINC000649413544 398212062 /nfs/dbraw/zinc/21/20/62/398212062.db2.gz HMAQSYUZJKDVTE-NSHDSACASA-N 2 0 222.336 0.944 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000418365733 192028982 /nfs/dbraw/zinc/02/89/82/192028982.db2.gz FEUXMUOICBOFGZ-DCAQKATOSA-N 2 0 242.367 0.234 20 0 BCADRP CCN(CC)C(=O)N(CCC[NH3+])CCC[NH3+] ZINC000576451634 365599873 /nfs/dbraw/zinc/59/98/73/365599873.db2.gz BXKFUMROSRBIJB-UHFFFAOYSA-N 2 0 230.356 0.448 20 0 BCADRP C[NH+](C)CCCNC(=O)NCC[N@H+](C)C1CC1 ZINC000602395390 349519821 /nfs/dbraw/zinc/51/98/21/349519821.db2.gz JJENLZJCIOUWAL-UHFFFAOYSA-N 2 0 242.367 0.332 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000418365732 192028725 /nfs/dbraw/zinc/02/87/25/192028725.db2.gz FEUXMUOICBOFGZ-AXFHLTTASA-N 2 0 242.367 0.234 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H]([NH3+])C(C)C ZINC000418397136 192032938 /nfs/dbraw/zinc/03/29/38/192032938.db2.gz DAXJJMJXDXQKAS-UWVGGRQHSA-N 2 0 230.356 0.252 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@](C)(C[NH3+])C1)[C@@H](C)[NH3+] ZINC000576458350 365601714 /nfs/dbraw/zinc/60/17/14/365601714.db2.gz TWLGRNNPDNDGEC-NTZNESFSSA-N 2 0 241.379 0.803 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000418382409 192030402 /nfs/dbraw/zinc/03/04/02/192030402.db2.gz IQUOENMBTULGEW-AXFHLTTASA-N 2 0 242.367 0.282 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418397134 192032987 /nfs/dbraw/zinc/03/29/87/192032987.db2.gz DAXJJMJXDXQKAS-AOOOYVTPSA-N 2 0 230.356 0.252 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418382333 192030646 /nfs/dbraw/zinc/03/06/46/192030646.db2.gz LYAUTHYEEBUTGB-WDEREUQCSA-N 2 0 242.367 0.555 20 0 BCADRP [NH3+][C@H]1Cc2ccccc2N(C(=O)C[NH2+]C2CC2)C1 ZINC000576457725 365600950 /nfs/dbraw/zinc/60/09/50/365600950.db2.gz QUGYYFJHYWYZDQ-NSHDSACASA-N 2 0 245.326 0.655 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418383882 192030974 /nfs/dbraw/zinc/03/09/74/192030974.db2.gz OGZXONGRCXUSIQ-WDEREUQCSA-N 2 0 242.367 0.555 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418383725 192031101 /nfs/dbraw/zinc/03/11/01/192031101.db2.gz ZSDWXRNRZYUIFT-VHSXEESVSA-N 2 0 228.340 0.021 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418384042 192031147 /nfs/dbraw/zinc/03/11/47/192031147.db2.gz NWIOASMWINULJN-GHMZBOCLSA-N 2 0 242.367 0.363 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000418385365 192031593 /nfs/dbraw/zinc/03/15/93/192031593.db2.gz KNIWPUFNIPNSOU-MNOVXSKESA-N 2 0 244.383 0.515 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)N1CCC[C@H]1C[NH2+]C ZINC000418388227 192031821 /nfs/dbraw/zinc/03/18/21/192031821.db2.gz NDCGZIPPUYCLCW-MNOVXSKESA-N 2 0 242.367 0.235 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000418387815 192031931 /nfs/dbraw/zinc/03/19/31/192031931.db2.gz MWBYMBIMIAPZTG-QWRGUYRKSA-N 2 0 244.383 0.659 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)N[C@H](C)CCCC[NH3+] ZINC000418387812 192031942 /nfs/dbraw/zinc/03/19/42/192031942.db2.gz MWBYMBIMIAPZTG-GHMZBOCLSA-N 2 0 244.383 0.659 20 0 BCADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647986635 398228518 /nfs/dbraw/zinc/22/85/18/398228518.db2.gz WJMKPSKUQBKSMF-MCIONIFRSA-N 3 0 237.391 0.917 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418402724 192033497 /nfs/dbraw/zinc/03/34/97/192033497.db2.gz OKWJDZQIIIQLFF-MNOVXSKESA-N 2 0 242.367 0.540 20 0 BCADRP CCC[NH2+]CCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418411651 192034000 /nfs/dbraw/zinc/03/40/00/192034000.db2.gz QHGBFUBTGBXYAK-SNVBAGLBSA-N 2 0 230.356 0.269 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)NCC(C)(C)[NH3+] ZINC000418412419 192034038 /nfs/dbraw/zinc/03/40/38/192034038.db2.gz HKWNRYTXPISNPN-SECBINFHSA-N 2 0 230.356 0.396 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418413182 192034443 /nfs/dbraw/zinc/03/44/43/192034443.db2.gz YODXYZXYVXQYJZ-JTQLQIEISA-N 2 0 228.340 0.023 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC(C)(C)[NH3+] ZINC000418415180 192034999 /nfs/dbraw/zinc/03/49/99/192034999.db2.gz NBYPZSSBNFGZBS-SNVBAGLBSA-N 2 0 244.383 0.739 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCC(C)(C)[NH3+] ZINC000418415179 192035088 /nfs/dbraw/zinc/03/50/88/192035088.db2.gz NBYPZSSBNFGZBS-JTQLQIEISA-N 2 0 244.383 0.739 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418402723 192033396 /nfs/dbraw/zinc/03/33/96/192033396.db2.gz OKWJDZQIIIQLFF-GHMZBOCLSA-N 2 0 242.367 0.540 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418438467 192036020 /nfs/dbraw/zinc/03/60/20/192036020.db2.gz DWSRGQSYYUJBEL-QWRGUYRKSA-N 2 0 242.367 0.540 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@H](C)CC[NH3+] ZINC000418436434 192036029 /nfs/dbraw/zinc/03/60/29/192036029.db2.gz GUMYUWHJJJZVSI-NXEZZACHSA-N 2 0 230.356 0.396 20 0 BCADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)C ZINC000629946910 361793982 /nfs/dbraw/zinc/79/39/82/361793982.db2.gz DPVQFBNSXCMLHO-SNVBAGLBSA-N 2 0 227.352 0.537 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000418446685 192036692 /nfs/dbraw/zinc/03/66/92/192036692.db2.gz ZLFZBPDLACAZFK-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)NC(C)(C)C[NH3+] ZINC000418447038 192036351 /nfs/dbraw/zinc/03/63/51/192036351.db2.gz QAJJEGIIELVILC-SECBINFHSA-N 2 0 230.356 0.396 20 0 BCADRP CCC(CC)C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000308932931 168362237 /nfs/dbraw/zinc/36/22/37/168362237.db2.gz MWRHCDZMOGWOPD-WDEREUQCSA-N 2 0 200.326 0.593 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000418443914 192036777 /nfs/dbraw/zinc/03/67/77/192036777.db2.gz LNGOVIFJCWOWFJ-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP CCCN(C(=O)C[NH2+]C1CC1)C1CC[NH2+]CC1 ZINC000576463404 365602181 /nfs/dbraw/zinc/60/21/81/365602181.db2.gz NAWSWLJSPDDTGL-UHFFFAOYSA-N 2 0 239.363 0.729 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418443697 192036582 /nfs/dbraw/zinc/03/65/82/192036582.db2.gz VZGTUMYCSRZEMA-IUCAKERBSA-N 2 0 230.356 0.539 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)NCCCC[NH3+] ZINC000418446415 192036591 /nfs/dbraw/zinc/03/65/91/192036591.db2.gz PNNPPQHBOGLKQZ-SNVBAGLBSA-N 2 0 230.356 0.398 20 0 BCADRP C[C@@H]1CN(CC[NH+]2CCC(C[NH3+])CC2)CCO1 ZINC000576465522 365603354 /nfs/dbraw/zinc/60/33/54/365603354.db2.gz DXQIXMXAQJJPIE-GFCCVEGCSA-N 2 0 241.379 0.378 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC(CC[NH3+])CC1 ZINC000576475560 365606516 /nfs/dbraw/zinc/60/65/16/365606516.db2.gz KNPFXUPDVQNSPR-SNVBAGLBSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])CCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000381254736 398244452 /nfs/dbraw/zinc/24/44/52/398244452.db2.gz QMHOQZWMDCBHMX-YUMQZZPRSA-N 2 0 210.281 0.774 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000381254615 398244475 /nfs/dbraw/zinc/24/44/75/398244475.db2.gz QJTKRYFMWJOQGD-LPEHRKFASA-N 2 0 211.309 0.077 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)NCC[C@H](C)[NH3+] ZINC000418423339 192037033 /nfs/dbraw/zinc/03/70/33/192037033.db2.gz BXHVAPJDBCPSKR-VHSXEESVSA-N 2 0 230.356 0.396 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000576515219 365614525 /nfs/dbraw/zinc/61/45/25/365614525.db2.gz FJNZKZDQIUKBAF-MXWKQRLJSA-N 2 0 225.336 0.134 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000576515223 365614637 /nfs/dbraw/zinc/61/46/37/365614637.db2.gz FJNZKZDQIUKBAF-VWYCJHECSA-N 2 0 225.336 0.134 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCC[C@H](C)[NH3+] ZINC000418423338 192037382 /nfs/dbraw/zinc/03/73/82/192037382.db2.gz BXHVAPJDBCPSKR-UWVGGRQHSA-N 2 0 230.356 0.396 20 0 BCADRP C[C@H]1CN(C(=O)C2([NH3+])CCC2)CC[C@H]1[NH3+] ZINC000576517012 365615395 /nfs/dbraw/zinc/61/53/95/365615395.db2.gz RSSQNYMRIHLHCJ-DTWKUNHWSA-N 2 0 211.309 0.064 20 0 BCADRP C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000576576622 365627983 /nfs/dbraw/zinc/62/79/83/365627983.db2.gz GVVDUABVUDPENU-DMDPSCGWSA-N 2 0 239.363 0.633 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)C[NH2+]C1CC1 ZINC000576582024 365630647 /nfs/dbraw/zinc/63/06/47/365630647.db2.gz WMMJGOSSGGLPAM-UHFFFAOYSA-N 2 0 225.336 0.291 20 0 BCADRP CC[NH+](CC)CCCNC(=O)CC[C@H](C)[NH3+] ZINC000069838850 398248831 /nfs/dbraw/zinc/24/88/31/398248831.db2.gz ZSGGHCVUEKIICI-NSHDSACASA-N 2 0 229.368 0.962 20 0 BCADRP CC(C)([NH3+])CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000418429492 192037780 /nfs/dbraw/zinc/03/77/80/192037780.db2.gz NRJGFLGOAXVONA-UHFFFAOYSA-N 2 0 240.351 0.285 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000390771419 398246234 /nfs/dbraw/zinc/24/62/34/398246234.db2.gz WINNLCPGBVQJHJ-NWDGAFQWSA-N 2 0 211.353 0.527 20 0 BCADRP OCCCC[N@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000390748354 398247286 /nfs/dbraw/zinc/24/72/86/398247286.db2.gz AXPAGHMQQLHTKY-LLVKDONJSA-N 2 0 212.337 0.833 20 0 BCADRP O=C(C[NH2+][C@H]1CC[C@H]1C1CC1)N1CC[NH2+]CC1 ZINC000576576053 365627115 /nfs/dbraw/zinc/62/71/15/365627115.db2.gz DKDGNVPPSXTNDM-RYUDHWBXSA-N 2 0 237.347 0.196 20 0 BCADRP Nc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000381349252 398254175 /nfs/dbraw/zinc/25/41/75/398254175.db2.gz BEZNFJQXYPVBRQ-VIFPVBQESA-N 2 0 206.293 0.275 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000381313520 398252959 /nfs/dbraw/zinc/25/29/59/398252959.db2.gz MFRPIRHUMKHMIJ-XFWSIPNHSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000383194887 398257334 /nfs/dbraw/zinc/25/73/34/398257334.db2.gz VFRGEBJZMQYDSL-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000381422391 398257366 /nfs/dbraw/zinc/25/73/66/398257366.db2.gz XQPVAJJNTCCKNF-SDDRHHMPSA-N 2 0 209.337 0.280 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000576702064 365663044 /nfs/dbraw/zinc/66/30/44/365663044.db2.gz KEIUBNGCFLPILJ-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000576702068 365663085 /nfs/dbraw/zinc/66/30/85/365663085.db2.gz KEIUBNGCFLPILJ-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP Cc1csc(=O)n1CCN(C)CCC[NH3+] ZINC000381485484 398259458 /nfs/dbraw/zinc/25/94/58/398259458.db2.gz VCGSIODFPMCLBE-UHFFFAOYSA-N 2 0 229.349 0.499 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000576730154 365672600 /nfs/dbraw/zinc/67/26/00/365672600.db2.gz NNYDTAWPWJKOGC-NNYUYHANSA-N 2 0 239.363 0.583 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC000576755505 365678302 /nfs/dbraw/zinc/67/83/02/365678302.db2.gz OBCXHLAZEJVROG-UHFFFAOYSA-N 2 0 241.379 0.949 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000576753189 365676409 /nfs/dbraw/zinc/67/64/09/365676409.db2.gz CQUDDCXEPKOFCT-AXFHLTTASA-N 2 0 227.352 0.489 20 0 BCADRP [NH3+]C1(CC(=O)NC[C@@H]2CCC[NH2+]2)CCC1 ZINC000381535873 398262629 /nfs/dbraw/zinc/26/26/29/398262629.db2.gz GTZIMWFALONJRW-VIFPVBQESA-N 2 0 211.309 0.126 20 0 BCADRP CC(C)([NH3+])CCC(=O)NC[C@H]([NH3+])C1CC1 ZINC000381543727 398262741 /nfs/dbraw/zinc/26/27/41/398262741.db2.gz JRYPGIUIUJDZPX-VIFPVBQESA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000381566320 398264809 /nfs/dbraw/zinc/26/48/09/398264809.db2.gz SQIZFXIZKCUPOT-RKDXNWHRSA-N 2 0 213.325 0.084 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCC(C)(C)[NH3+] ZINC000381713134 398270614 /nfs/dbraw/zinc/27/06/14/398270614.db2.gz KQKRVNROZYBRIZ-IUCAKERBSA-N 2 0 213.325 0.452 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000335388719 136235050 /nfs/dbraw/zinc/23/50/50/136235050.db2.gz KJZGAAWFPDHKSM-QWRGUYRKSA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000036793947 538961200 /nfs/dbraw/zinc/96/12/00/538961200.db2.gz YRXCSBXMYKCLPC-MNOVXSKESA-N 2 0 241.379 0.783 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418488608 192040735 /nfs/dbraw/zinc/04/07/35/192040735.db2.gz KVMIUXFALGHUIC-ZYHUDNBSSA-N 2 0 242.367 0.270 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418488584 192041013 /nfs/dbraw/zinc/04/10/13/192041013.db2.gz KVMIUXFALGHUIC-CMPLNLGQSA-N 2 0 242.367 0.270 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC[NH2+]C ZINC000669529753 488178762 /nfs/dbraw/zinc/17/87/62/488178762.db2.gz AKMFOFRZJWSZCZ-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC000166225837 361848475 /nfs/dbraw/zinc/84/84/75/361848475.db2.gz NZJUTHNVLPWVTP-MWLCHTKSSA-N 2 0 208.309 0.589 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC000166225951 361848496 /nfs/dbraw/zinc/84/84/96/361848496.db2.gz NZJUTHNVLPWVTP-ONGXEEELSA-N 2 0 208.309 0.589 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC000166225709 361848605 /nfs/dbraw/zinc/84/86/05/361848605.db2.gz NZJUTHNVLPWVTP-GXSJLCMTSA-N 2 0 208.309 0.589 20 0 BCADRP CCC[NH2+]CCNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000418489281 192041597 /nfs/dbraw/zinc/04/15/97/192041597.db2.gz NCIOLSZJTNLBIE-WDEREUQCSA-N 2 0 242.367 0.378 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418490485 192041653 /nfs/dbraw/zinc/04/16/53/192041653.db2.gz PVAKFOUOVVZLSB-GHMZBOCLSA-N 2 0 242.367 0.413 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H](C)C[NH3+] ZINC000418490857 192041787 /nfs/dbraw/zinc/04/17/87/192041787.db2.gz NLJBQFNJFWZFKA-QWRGUYRKSA-N 2 0 244.383 0.596 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418493176 192041809 /nfs/dbraw/zinc/04/18/09/192041809.db2.gz XPRJECFDEFRNSR-QWRGUYRKSA-N 2 0 242.367 0.283 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418492770 192041859 /nfs/dbraw/zinc/04/18/59/192041859.db2.gz VOGLUIXMCGDEOP-JTQLQIEISA-N 2 0 242.367 0.350 20 0 BCADRP CCC[NH2+]CCNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000418492821 192041886 /nfs/dbraw/zinc/04/18/86/192041886.db2.gz WFIFSNLZPKNPDX-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418491933 192041950 /nfs/dbraw/zinc/04/19/50/192041950.db2.gz TUZIFBHSGRDVEE-WDEREUQCSA-N 2 0 242.367 0.283 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418493908 192042033 /nfs/dbraw/zinc/04/20/33/192042033.db2.gz ZGBYXKOKYVCPSR-GHMZBOCLSA-N 2 0 242.367 0.555 20 0 BCADRP CC1CC([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000166622625 361853528 /nfs/dbraw/zinc/85/35/28/361853528.db2.gz AEJIGUFLZLJKEI-MCIGGMRASA-N 2 0 212.337 0.831 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000131907326 342702533 /nfs/dbraw/zinc/70/25/33/342702533.db2.gz CCTXQOGNVHMBFH-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP O[C@@H](C[NH2+][C@H]1CCSC1)C[NH+]1CCCC1 ZINC000166814151 361857628 /nfs/dbraw/zinc/85/76/28/361857628.db2.gz UXLPJMGKDSMZBV-QWRGUYRKSA-N 2 0 230.377 0.538 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000418494804 192042195 /nfs/dbraw/zinc/04/21/95/192042195.db2.gz SWOUWNXSMIKKBO-VHSXEESVSA-N 2 0 228.340 0.104 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]([NH3+])CC ZINC000418448880 192042312 /nfs/dbraw/zinc/04/23/12/192042312.db2.gz RGJMRGQROKUDRQ-NXEZZACHSA-N 2 0 230.356 0.540 20 0 BCADRP COCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000037208670 538962090 /nfs/dbraw/zinc/96/20/90/538962090.db2.gz WHRMXRAMOGMFMJ-JTQLQIEISA-N 2 0 200.326 0.953 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CCC[NH3+] ZINC000167199266 361861938 /nfs/dbraw/zinc/86/19/38/361861938.db2.gz GHMRPQSZPPMVFE-SNVBAGLBSA-N 2 0 215.341 0.572 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)/C=C\C[NH+](C)C ZINC000493639550 529384836 /nfs/dbraw/zinc/38/48/36/529384836.db2.gz DMLDZJFGDDUBOP-ZHRWSRJISA-N 2 0 239.363 0.657 20 0 BCADRP CC[NH+]1CCC(NC(=O)C[NH2+]C(C)C)CC1 ZINC000037978547 538964894 /nfs/dbraw/zinc/96/48/94/538964894.db2.gz LJLZWLGXDNYNGA-UHFFFAOYSA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)[C@H](C(=O)NCCCC[NH3+])[C@@H](C)[NH3+] ZINC000399498722 342735541 /nfs/dbraw/zinc/73/55/41/342735541.db2.gz IBECRIRFCHIQFH-ZJUUUORDSA-N 2 0 215.341 0.461 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)C[N@H+](C)C1CCC1 ZINC000629991665 361877355 /nfs/dbraw/zinc/87/73/55/361877355.db2.gz GPINVODYWYREFG-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP CCC(CC)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000308491729 168388981 /nfs/dbraw/zinc/38/89/81/168388981.db2.gz BVNZOLXKELTZRR-LLVKDONJSA-N 2 0 200.326 0.831 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H](C)CCC[NH3+] ZINC000418450050 192043044 /nfs/dbraw/zinc/04/30/44/192043044.db2.gz UFKSUVUAECYENB-WDEREUQCSA-N 2 0 244.383 0.786 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NCC[C@H](C)[NH3+] ZINC000418451684 192043058 /nfs/dbraw/zinc/04/30/58/192043058.db2.gz WDZSRHZZWJUGQU-VHSXEESVSA-N 2 0 230.356 0.540 20 0 BCADRP C[C@H](C[NH3+])NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418507882 192044822 /nfs/dbraw/zinc/04/48/22/192044822.db2.gz CHTGYWYKRGSXNE-NXEZZACHSA-N 2 0 242.367 0.411 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000418507510 192044842 /nfs/dbraw/zinc/04/48/42/192044842.db2.gz IUVSIGULGZEIDZ-JTQLQIEISA-N 2 0 242.367 0.413 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000418509221 192044666 /nfs/dbraw/zinc/04/46/66/192044666.db2.gz GCTRARXDSMOJPM-AEJSXWLSSA-N 2 0 228.340 0.102 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000335437221 398287727 /nfs/dbraw/zinc/28/77/27/398287727.db2.gz OUSGXINHZYDCBK-GHMZBOCLSA-N 2 0 242.367 0.458 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000335437222 398287809 /nfs/dbraw/zinc/28/78/09/398287809.db2.gz OUSGXINHZYDCBK-MNOVXSKESA-N 2 0 242.367 0.458 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)N[C@H](C)C[NH3+] ZINC000418507300 192045114 /nfs/dbraw/zinc/04/51/14/192045114.db2.gz BHKHHFZEJUBKAT-SNVBAGLBSA-N 2 0 230.356 0.317 20 0 BCADRP CCc1cc(NCC[N@@H+]2CC[C@@H](O)C2)cc[nH+]1 ZINC000624678311 342818491 /nfs/dbraw/zinc/81/84/91/342818491.db2.gz GMFYOTHBGJBBLM-CYBMUJFWSA-N 2 0 235.331 0.544 20 0 BCADRP O=C([C@H]1C[C@]12CC[NH2+]C2)N1CC[NH+]2CCC1CC2 ZINC000335464333 398288775 /nfs/dbraw/zinc/28/87/75/398288775.db2.gz PQKLULLWKZDSDP-OCCSQVGLSA-N 2 0 249.358 0.293 20 0 BCADRP C[C@@]1(C(=O)N2CC[NH+]3CCC2CC3)CC[NH2+]C1 ZINC000335464302 398288907 /nfs/dbraw/zinc/28/89/07/398288907.db2.gz PCNAOOBPZPQXLW-CYBMUJFWSA-N 2 0 237.347 0.293 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC([NH3+])CC2)C1 ZINC000335464143 398288960 /nfs/dbraw/zinc/28/89/60/398288960.db2.gz IUHOFHBLGIJFMH-MWLCHTKSSA-N 2 0 225.336 0.324 20 0 BCADRP COCCOCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000044694061 538990166 /nfs/dbraw/zinc/99/01/66/538990166.db2.gz KWWFCTSOTXKMLX-GFCCVEGCSA-N 2 0 244.379 0.969 20 0 BCADRP CC(C)(C)[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379939634 538982268 /nfs/dbraw/zinc/98/22/68/538982268.db2.gz YOSFLACDYHDPMZ-AXFHLTTASA-N 2 0 212.337 0.545 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000417817807 398293854 /nfs/dbraw/zinc/29/38/54/398293854.db2.gz ROOQWEVSLULDRQ-MNOVXSKESA-N 2 0 244.383 0.753 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000417818959 398293998 /nfs/dbraw/zinc/29/39/98/398293998.db2.gz SVFFNOUXJSZLLJ-MNOVXSKESA-N 2 0 227.352 0.490 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417822068 398294452 /nfs/dbraw/zinc/29/44/52/398294452.db2.gz JAHJURALENNSES-NNYUYHANSA-N 2 0 237.347 0.052 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335628205 136241123 /nfs/dbraw/zinc/24/11/23/136241123.db2.gz YAZPHNUMOCVLRK-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+][C@@H]1C[C@H](NC2C[NH2+]C2)c2ccccc21 ZINC000335626290 136240667 /nfs/dbraw/zinc/24/06/67/136240667.db2.gz ZXNBCNYGUGQHKZ-NEPJUHHUSA-N 2 0 203.289 0.693 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)CC[NH3+] ZINC000418523375 192046646 /nfs/dbraw/zinc/04/66/46/192046646.db2.gz KHXMNLWZYVUZTQ-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000418520735 192046873 /nfs/dbraw/zinc/04/68/73/192046873.db2.gz HLUQWYTWMHPBLW-GMTAPVOTSA-N 2 0 242.367 0.493 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000418522496 192046928 /nfs/dbraw/zinc/04/69/28/192046928.db2.gz JFXRIWFTBOXIQR-GARJFASQSA-N 2 0 242.367 0.458 20 0 BCADRP CC(C)[C@H](CO)C[NH2+][C@@H](C)CCC[NH3+] ZINC000394044758 259324230 /nfs/dbraw/zinc/32/42/30/259324230.db2.gz VRUKULYCANBNNZ-QWRGUYRKSA-N 2 0 202.342 0.968 20 0 BCADRP CC(C)[C@@H](CO)C[NH2+][C@@H](C)CCC[NH3+] ZINC000394044760 259324245 /nfs/dbraw/zinc/32/42/45/259324245.db2.gz VRUKULYCANBNNZ-WDEREUQCSA-N 2 0 202.342 0.968 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC(C[NH3+])CC1 ZINC000390560783 398296528 /nfs/dbraw/zinc/29/65/28/398296528.db2.gz RXBRKXKIVTUIKY-SECBINFHSA-N 2 0 213.325 0.039 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000418527591 192047932 /nfs/dbraw/zinc/04/79/32/192047932.db2.gz ONZWFDBSEJAWMR-OUAUKWLOSA-N 2 0 242.367 0.635 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCC[NH3+] ZINC000417883468 398298985 /nfs/dbraw/zinc/29/89/85/398298985.db2.gz WKNQLZXQSGSYFI-MWLCHTKSSA-N 2 0 240.351 0.117 20 0 BCADRP C[NH2+]CCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000583993276 342853205 /nfs/dbraw/zinc/85/32/05/342853205.db2.gz NOYQFQNMTFWPTM-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000583993336 342853551 /nfs/dbraw/zinc/85/35/51/342853551.db2.gz SKHMRSMCUTWNPB-RHYQMDGZSA-N 2 0 239.363 0.489 20 0 BCADRP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC1CCOCC1 ZINC000625098929 342854977 /nfs/dbraw/zinc/85/49/77/342854977.db2.gz QQFPYQGKDNSJFI-TXEJJXNPSA-N 2 0 240.347 0.333 20 0 BCADRP CC(C)(C)CNC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000625102161 342856291 /nfs/dbraw/zinc/85/62/91/342856291.db2.gz XBJJPIJQJNHAQR-PHIMTYICSA-N 2 0 239.363 0.300 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000309775159 342894835 /nfs/dbraw/zinc/89/48/35/342894835.db2.gz LMYWJEVHMOSVDP-AEJSXWLSSA-N 2 0 213.325 0.310 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000309779950 342896515 /nfs/dbraw/zinc/89/65/15/342896515.db2.gz MQUFNMVVNRCCEP-IVZWLZJFSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)CC[NH2+]C2CC2)[C@H]1C ZINC000584004269 342900132 /nfs/dbraw/zinc/90/01/32/342900132.db2.gz FYWJJVNSEBMPJW-UWVGGRQHSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000167334573 136245828 /nfs/dbraw/zinc/24/58/28/136245828.db2.gz DTEFNRJWMPPQMY-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000035738365 342891426 /nfs/dbraw/zinc/89/14/26/342891426.db2.gz ZFDDLUYBRHHBEC-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)C[NH3+] ZINC000418562853 192051008 /nfs/dbraw/zinc/05/10/08/192051008.db2.gz GVAMPWRXRGOHGJ-QWRGUYRKSA-N 2 0 242.367 0.315 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H](C)C[NH3+] ZINC000418573074 192052284 /nfs/dbraw/zinc/05/22/84/192052284.db2.gz UBGVYBXIVAXOBR-AEJSXWLSSA-N 2 0 228.340 0.245 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000494649341 529417404 /nfs/dbraw/zinc/41/74/04/529417404.db2.gz MWSUXVFTWSHXQA-VWYCJHECSA-N 2 0 229.368 0.994 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418579572 192052906 /nfs/dbraw/zinc/05/29/06/192052906.db2.gz RMXZNSYQLIHHFV-XKNYDFJKSA-N 2 0 228.340 0.019 20 0 BCADRP CC(C)(C[NH3+])NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418585399 192053289 /nfs/dbraw/zinc/05/32/89/192053289.db2.gz PMNXSHDOJTZTFY-DTWKUNHWSA-N 2 0 228.340 0.293 20 0 BCADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H](C)C[NH3+])cc1 ZINC000580304115 346879129 /nfs/dbraw/zinc/87/91/29/346879129.db2.gz XLTPJKKLDNBBKG-UWVGGRQHSA-N 2 0 235.331 0.917 20 0 BCADRP CCN(C)C[C@@H](O)C[N@H+](CC)C1CC1 ZINC000308552188 346882845 /nfs/dbraw/zinc/88/28/45/346882845.db2.gz XZIDSVCLELERMO-LLVKDONJSA-N 2 0 200.326 0.783 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000418602665 192054581 /nfs/dbraw/zinc/05/45/81/192054581.db2.gz NNPPBFGJQYYYHT-MXWKQRLJSA-N 2 0 242.367 0.376 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)CC(F)(F)CN ZINC000583388383 398336471 /nfs/dbraw/zinc/33/64/71/398336471.db2.gz BXXZWFDGJKSNBP-UHFFFAOYSA-N 2 0 223.267 0.214 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000037616058 398332632 /nfs/dbraw/zinc/33/26/32/398332632.db2.gz OFKKFRAXBJHXOV-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccccn1 ZINC000037632039 398333318 /nfs/dbraw/zinc/33/33/18/398333318.db2.gz NXBHYNLYXKZCOI-UHFFFAOYSA-N 2 0 234.347 0.419 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000037480483 342937461 /nfs/dbraw/zinc/93/74/61/342937461.db2.gz YAJQVSLYRWOGRO-SNVBAGLBSA-N 2 0 215.341 0.572 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000037824279 398334805 /nfs/dbraw/zinc/33/48/05/398334805.db2.gz ZFJVESJGNFMFFK-NWDGAFQWSA-N 2 0 239.363 0.811 20 0 BCADRP CC[C@H]1C[N@H+](CCOCC[NH3+])CC[C@H]1[NH3+] ZINC000381308677 398340612 /nfs/dbraw/zinc/34/06/12/398340612.db2.gz KSRCJIBGGUUIIQ-WDEREUQCSA-N 3 0 215.341 0.021 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000580314401 346897211 /nfs/dbraw/zinc/89/72/11/346897211.db2.gz PYIJYOQGLZPGPF-OPRDCNLKSA-N 2 0 213.325 0.215 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418607051 192056170 /nfs/dbraw/zinc/05/61/70/192056170.db2.gz ZZBOVEUQDRGJFL-GHMZBOCLSA-N 2 0 242.367 0.540 20 0 BCADRP C[NH+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000176076294 346905226 /nfs/dbraw/zinc/90/52/26/346905226.db2.gz QGTTWILBWCLMIH-NSHDSACASA-N 2 0 227.352 0.491 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000353450591 187209302 /nfs/dbraw/zinc/20/93/02/187209302.db2.gz ORQAKCJDQMGOAR-VWYCJHECSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000167487160 136258121 /nfs/dbraw/zinc/25/81/21/136258121.db2.gz BYAJVTYHQJETNV-MNOVXSKESA-N 2 0 212.337 0.831 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000418622934 192057537 /nfs/dbraw/zinc/05/75/37/192057537.db2.gz VTDRMCPFDKNYOJ-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP CC(C)CO[C@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000357100446 187213230 /nfs/dbraw/zinc/21/32/30/187213230.db2.gz FTAIDRZEKZTPJY-LBPRGKRZSA-N 2 0 230.352 0.709 20 0 BCADRP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)OCC1CC1 ZINC000357083392 187213261 /nfs/dbraw/zinc/21/32/61/187213261.db2.gz PDQPTALEVUXFJT-STQMWFEESA-N 2 0 224.348 0.954 20 0 BCADRP CCCCNC(=O)CC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351856797 136258332 /nfs/dbraw/zinc/25/83/32/136258332.db2.gz WKXDBNUEMFNMKP-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000357385734 187214639 /nfs/dbraw/zinc/21/46/39/187214639.db2.gz XLMBPOAHNBQGFQ-NEPJUHHUSA-N 2 0 241.379 0.947 20 0 BCADRP [NH3+]CCCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000518183563 259338071 /nfs/dbraw/zinc/33/80/71/259338071.db2.gz HWXNSPQVCZXOGX-PHIMTYICSA-N 2 0 225.336 0.183 20 0 BCADRP CCCCNC(=O)CC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351856798 136258478 /nfs/dbraw/zinc/25/84/78/136258478.db2.gz WKXDBNUEMFNMKP-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1)[NH+](C)C ZINC000359383839 187216408 /nfs/dbraw/zinc/21/64/08/187216408.db2.gz SNZDQINYYSFLMC-IJLUTSLNSA-N 2 0 239.363 0.250 20 0 BCADRP C[NH+](C)CCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418625607 192058116 /nfs/dbraw/zinc/05/81/16/192058116.db2.gz QRQFRUBEGGYXKW-LLVKDONJSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000309812944 343016928 /nfs/dbraw/zinc/01/69/28/343016928.db2.gz UQXASUYEYNIZBH-GZMMTYOYSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]([NH3+])C(C)(C)C ZINC000162625347 349764029 /nfs/dbraw/zinc/76/40/29/349764029.db2.gz ZQIXKEROJHNMTD-ZJUUUORDSA-N 2 0 229.368 0.816 20 0 BCADRP CC(C)[C@@H](C)[NH2+]C[C@@H]1CN(C)CCN1C ZINC000082668960 167382497 /nfs/dbraw/zinc/38/24/97/167382497.db2.gz LROYDUMCJJSZRO-VXGBXAGGSA-N 2 0 213.369 0.866 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000309452916 259343512 /nfs/dbraw/zinc/34/35/12/259343512.db2.gz MYYQJIYFBMGOKO-KXUCPTDWSA-N 2 0 213.325 0.084 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000562808900 323031143 /nfs/dbraw/zinc/03/11/43/323031143.db2.gz WLNBWYRPWKKGAL-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000562809514 323031226 /nfs/dbraw/zinc/03/12/26/323031226.db2.gz XILVIBHZJBQNOY-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)([NH3+])CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000372500817 187223031 /nfs/dbraw/zinc/22/30/31/187223031.db2.gz AVSGYJISAUCOFE-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000309452917 259343273 /nfs/dbraw/zinc/34/32/73/259343273.db2.gz MYYQJIYFBMGOKO-LPEHRKFASA-N 2 0 213.325 0.084 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373054366 187223206 /nfs/dbraw/zinc/22/32/06/187223206.db2.gz VSDPKSBJGHDNJE-VXGBXAGGSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000038089242 343059212 /nfs/dbraw/zinc/05/92/12/343059212.db2.gz QMZHSJOYNSSBNM-UWVGGRQHSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@@H](O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000119004839 343065605 /nfs/dbraw/zinc/06/56/05/343065605.db2.gz PAQRGLIFFZRUPY-AXFHLTTASA-N 2 0 200.326 0.830 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@H]([NH+](C)C)C1 ZINC000383813088 349793328 /nfs/dbraw/zinc/79/33/28/349793328.db2.gz VRZYXLTZWSOEPZ-QWHCGFSZSA-N 2 0 243.395 0.325 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CCO[C@@](C)(CC)C1 ZINC000520952804 259345629 /nfs/dbraw/zinc/34/56/29/259345629.db2.gz HWSKODARYBDUAK-STQMWFEESA-N 2 0 244.379 0.800 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CCO[C@@](C)(CC)C1 ZINC000520952802 259345697 /nfs/dbraw/zinc/34/56/97/259345697.db2.gz HWSKODARYBDUAK-OLZOCXBDSA-N 2 0 244.379 0.800 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CCO[C@](C)(CC)C1 ZINC000520952798 259345746 /nfs/dbraw/zinc/34/57/46/259345746.db2.gz HWSKODARYBDUAK-CHWSQXEVSA-N 2 0 244.379 0.800 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CCO[C@](C)(CC)C1 ZINC000520952803 259345801 /nfs/dbraw/zinc/34/58/01/259345801.db2.gz HWSKODARYBDUAK-QWHCGFSZSA-N 2 0 244.379 0.800 20 0 BCADRP C[C@H]1C[C@@H](N(C)C(=O)C[NH+](C)C)CC[N@@H+]1C ZINC000175100630 362026331 /nfs/dbraw/zinc/02/63/31/362026331.db2.gz AAODAFGBWNIPJZ-QWRGUYRKSA-N 2 0 227.352 0.489 20 0 BCADRP CC(C)OCC[NH+]1CCN(CCC[NH3+])CC1 ZINC000049259242 343098847 /nfs/dbraw/zinc/09/88/47/343098847.db2.gz XQSKTPIKDROXLL-UHFFFAOYSA-N 2 0 229.368 0.378 20 0 BCADRP CCCN(C(=O)C[NH2+]C)C1CC[NH2+]CC1 ZINC000236790994 343111121 /nfs/dbraw/zinc/11/11/21/343111121.db2.gz FWESVVISDHXZPP-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)C1CC[NH2+]CC1 ZINC000236671850 343105237 /nfs/dbraw/zinc/10/52/37/343105237.db2.gz RKCHWRZMFMKQEC-CYBMUJFWSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]CCNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000237051334 343122100 /nfs/dbraw/zinc/12/21/00/343122100.db2.gz RHNPWMQOVAPTJV-WDEREUQCSA-N 2 0 227.352 0.348 20 0 BCADRP CC(C)OC[C@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557235 343111447 /nfs/dbraw/zinc/11/14/47/343111447.db2.gz DNIGWLKMECXLKM-NWDGAFQWSA-N 2 0 232.368 0.702 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559769 343111674 /nfs/dbraw/zinc/11/16/74/343111674.db2.gz YMDZVDUSJGIECZ-NSHDSACASA-N 2 0 229.368 0.831 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000092951300 343148975 /nfs/dbraw/zinc/14/89/75/343148975.db2.gz JZOGJTBTDZLWDP-NWDGAFQWSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1C[N@H+](C)CCN1C[C@H]1CCC[NH2+]C1 ZINC000251712809 343125295 /nfs/dbraw/zinc/12/52/95/343125295.db2.gz JNEJUWQHHRHPLY-NEPJUHHUSA-N 2 0 211.353 0.622 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000237289022 343132955 /nfs/dbraw/zinc/13/29/55/343132955.db2.gz BZSADJMJIXCESQ-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237319300 343134945 /nfs/dbraw/zinc/13/49/45/343134945.db2.gz ZYUXPOAKFFBACJ-QWRGUYRKSA-N 2 0 227.352 0.348 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000237058813 136272036 /nfs/dbraw/zinc/27/20/36/136272036.db2.gz HRNRVFHLZWWQIE-SNVBAGLBSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000237473000 343143998 /nfs/dbraw/zinc/14/39/98/343143998.db2.gz XJFCSWPWHACEBG-LOWVWBTDSA-N 2 0 239.363 0.572 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCC[NH3+] ZINC000576942141 365728251 /nfs/dbraw/zinc/72/82/51/365728251.db2.gz XXCNXCIZVACDEG-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[C@H](CN1CCCC1=O)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000093215017 343151111 /nfs/dbraw/zinc/15/11/11/343151111.db2.gz UOGJVLGEQJWQCA-WOPDTQHZSA-N 2 0 239.363 0.857 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000580549942 365739835 /nfs/dbraw/zinc/73/98/35/365739835.db2.gz VVZHBBAMHWCCRI-AEJSXWLSSA-N 2 0 245.392 0.263 20 0 BCADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)C1([NH3+])CCC1 ZINC000147581470 136273463 /nfs/dbraw/zinc/27/34/63/136273463.db2.gz ACKGJSOVDBKGPD-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000308894945 346930256 /nfs/dbraw/zinc/93/02/56/346930256.db2.gz IQPVCOGPOGLNBI-NEPJUHHUSA-N 2 0 212.337 0.785 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C[NH2+]C1CC1 ZINC000237677764 343162573 /nfs/dbraw/zinc/16/25/73/343162573.db2.gz NNRCSPICCULLPK-LLVKDONJSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+]CCCN(C)C(=O)CCC1CC[NH2+]CC1 ZINC000124633273 343163120 /nfs/dbraw/zinc/16/31/20/343163120.db2.gz DSMKCBYGDLTDAZ-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)N1CCCCC1 ZINC000124599182 343163370 /nfs/dbraw/zinc/16/33/70/343163370.db2.gz VAAPDYJQGXXKMH-VXGBXAGGSA-N 2 0 239.363 0.811 20 0 BCADRP COC[C@@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC000125161840 343165845 /nfs/dbraw/zinc/16/58/45/343165845.db2.gz WVPPCXMIIIJXQR-LBPRGKRZSA-N 2 0 230.352 0.315 20 0 BCADRP C[C@H](CC(=O)NCCCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000127259161 343172694 /nfs/dbraw/zinc/17/26/94/343172694.db2.gz MOFXZFZKCSRXGA-NEPJUHHUSA-N 2 0 241.379 0.867 20 0 BCADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COC)C1 ZINC000177838262 136274437 /nfs/dbraw/zinc/27/44/37/136274437.db2.gz WLHYWHWVEBRPEG-NEPJUHHUSA-N 2 0 230.352 0.267 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186718702 187245951 /nfs/dbraw/zinc/24/59/51/187245951.db2.gz WNMHTWXDLAOTFN-GARJFASQSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@@H](C(=O)NCC[NH+]1CCCCCC1)[C@H](C)[NH3+] ZINC000156740654 343198891 /nfs/dbraw/zinc/19/88/91/343198891.db2.gz KKXFUMLQMSVJDM-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000157011852 343199407 /nfs/dbraw/zinc/19/94/07/343199407.db2.gz VWAYPTYQOYVYIE-NWDGAFQWSA-N 2 0 239.363 0.444 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000157213710 343199779 /nfs/dbraw/zinc/19/97/79/343199779.db2.gz YWBUNLGKQIDGKS-VXGBXAGGSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1C[C@H](NC(=O)CC[NH2+]C2CC2)CC[N@@H+]1C ZINC000157876967 343200066 /nfs/dbraw/zinc/20/00/66/343200066.db2.gz MVLGVVHFTDQNDO-CMPLNLGQSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000161053194 343204268 /nfs/dbraw/zinc/20/42/68/343204268.db2.gz QNJKTHDAKKIXOG-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NCCCC[NH3+])C1 ZINC000167421606 343208908 /nfs/dbraw/zinc/20/89/08/343208908.db2.gz NDFMWJWMXJNNJK-UWVGGRQHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCCC[NH3+])C1 ZINC000167421709 343209255 /nfs/dbraw/zinc/20/92/55/343209255.db2.gz NDFMWJWMXJNNJK-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H](NC(=O)C[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000167909263 343209510 /nfs/dbraw/zinc/20/95/10/343209510.db2.gz WSQVIEBXQSTBSX-ZJUUUORDSA-N 2 0 213.325 0.052 20 0 BCADRP [NH3+]CCCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000169152435 343211025 /nfs/dbraw/zinc/21/10/25/343211025.db2.gz XYCBOJXISUQZJO-UHFFFAOYSA-N 2 0 219.288 0.368 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)CC2([NH3+])CC2)CC1 ZINC000398065214 488206860 /nfs/dbraw/zinc/20/68/60/488206860.db2.gz HIXNRFSIDBMOFB-UHFFFAOYSA-N 2 0 239.363 0.811 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C[NH2+]CC1CC1 ZINC000087471662 136281437 /nfs/dbraw/zinc/28/14/37/136281437.db2.gz ATUQRQRBMKFUES-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)CCC[NH2+]C ZINC000087471734 136281445 /nfs/dbraw/zinc/28/14/45/136281445.db2.gz QNVQYHUHSCOKHP-ZJUUUORDSA-N 2 0 215.341 0.428 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]([NH3+])CC(C)C ZINC000087471659 136281598 /nfs/dbraw/zinc/28/15/98/136281598.db2.gz UWDVFROQIOVKPG-SNVBAGLBSA-N 2 0 215.341 0.428 20 0 BCADRP [NH3+][C@H](C(=O)NC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000238022427 343237866 /nfs/dbraw/zinc/23/78/66/343237866.db2.gz LIMZRVDCFVABSK-AAEUAGOBSA-N 2 0 247.342 0.802 20 0 BCADRP C[NH2+]CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000088091215 136284337 /nfs/dbraw/zinc/28/43/37/136284337.db2.gz SXHIALZJKHAQMU-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000088091212 136284538 /nfs/dbraw/zinc/28/45/38/136284538.db2.gz ZCHJCGYUQQDBTN-MXWKQRLJSA-N 2 0 225.336 0.276 20 0 BCADRP C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000634688278 343246422 /nfs/dbraw/zinc/24/64/22/343246422.db2.gz NSEMUOHHRKYQJR-BETUJISGSA-N 2 0 224.348 0.954 20 0 BCADRP C[C@H]1CC[C@@H](CN2CC[C@@H](F)[C@H]([NH3+])C2)O1 ZINC000634688507 343248083 /nfs/dbraw/zinc/24/80/83/343248083.db2.gz UYZJLMXDHRAYQW-UKKRHICBSA-N 2 0 216.300 0.925 20 0 BCADRP CCCC[C@H](C(=O)OC)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000608991198 343253059 /nfs/dbraw/zinc/25/30/59/343253059.db2.gz LHFKTZHDUVEXOV-GRYCIOLGSA-N 2 0 240.347 0.869 20 0 BCADRP C[NH2+]CCC[NH+]1CCC(COC)CC1 ZINC000069631618 343287281 /nfs/dbraw/zinc/28/72/81/343287281.db2.gz JUIMMAXZYZCKQF-UHFFFAOYSA-N 2 0 200.326 0.954 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H](C[NH3+])C1CC1 ZINC000131942051 343259265 /nfs/dbraw/zinc/25/92/65/343259265.db2.gz BDWQYOIUVZQQCM-SNVBAGLBSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CCC[C@@H]1[NH3+] ZINC000340083211 136285949 /nfs/dbraw/zinc/28/59/49/136285949.db2.gz RCTDMAKDEADMFZ-DCAQKATOSA-N 2 0 227.352 0.476 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000569821200 323041799 /nfs/dbraw/zinc/04/17/99/323041799.db2.gz ZOJHQAJABYIWMO-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@H](O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000367926383 187254804 /nfs/dbraw/zinc/25/48/04/187254804.db2.gz FUYQQQUAIOQAGA-GRYCIOLGSA-N 2 0 212.337 0.497 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000398108653 488211038 /nfs/dbraw/zinc/21/10/38/488211038.db2.gz WKMMWOTYHNFDTD-UHFFFAOYSA-N 2 0 237.347 0.565 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000584051627 343307086 /nfs/dbraw/zinc/30/70/86/343307086.db2.gz ITJGETIMAZNMRN-UTLUCORTSA-N 2 0 230.356 0.362 20 0 BCADRP CC1(C)CN(C(=O)c2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000335627025 136299967 /nfs/dbraw/zinc/29/99/67/136299967.db2.gz OOIDVLGCWGMQHT-UHFFFAOYSA-N 2 0 247.342 0.969 20 0 BCADRP C[C@H]1CCNC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335638491 136302863 /nfs/dbraw/zinc/30/28/63/136302863.db2.gz SIPVKEIWDLKHSY-WNYYMSAVSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@H]1CCNC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335639385 136303235 /nfs/dbraw/zinc/30/32/35/136303235.db2.gz UGPMGKAXPUJJEO-CMPLNLGQSA-N 2 0 211.353 0.574 20 0 BCADRP O=C1C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)CN1C1CC1 ZINC000335649458 136304622 /nfs/dbraw/zinc/30/46/22/136304622.db2.gz NWEDMDNZVUWDNK-WDEREUQCSA-N 2 0 237.347 0.481 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(CC(=O)N(C)C2CC2)C1 ZINC000166210854 136305268 /nfs/dbraw/zinc/30/52/68/136305268.db2.gz YVQCNCRSEFLWSZ-UWVGGRQHSA-N 2 0 225.336 0.276 20 0 BCADRP CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000335654030 136306059 /nfs/dbraw/zinc/30/60/59/136306059.db2.gz PRQPEGAASAVEAB-NSHDSACASA-N 2 0 219.288 0.966 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000335654039 136306306 /nfs/dbraw/zinc/30/63/06/136306306.db2.gz PZUNKGDIDCYLSZ-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000335658446 136307311 /nfs/dbraw/zinc/30/73/11/136307311.db2.gz UKHGOPARTTVFKY-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP CN(C(=O)C1CC[NH+](C)CC1)C1(C[NH3+])CCC1 ZINC000335662213 136315346 /nfs/dbraw/zinc/31/53/46/136315346.db2.gz HGTQHVXYTKXGLH-UHFFFAOYSA-N 2 0 239.363 0.668 20 0 BCADRP [NH3+]C1(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000335662881 136315552 /nfs/dbraw/zinc/31/55/52/136315552.db2.gz PMFPXDQLUQWAJY-WDEREUQCSA-N 2 0 237.347 0.326 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C ZINC000349079178 136322648 /nfs/dbraw/zinc/32/26/48/136322648.db2.gz ISFMAYROMXRPKP-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C ZINC000349080349 136322682 /nfs/dbraw/zinc/32/26/82/136322682.db2.gz KRBZOHQCUVJXLK-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)CC[NH3+])c1ccccc1 ZINC000040802232 343409437 /nfs/dbraw/zinc/40/94/37/343409437.db2.gz TWTYLYUSVXITFT-GFCCVEGCSA-N 2 0 235.331 0.754 20 0 BCADRP C[NH+](C)Cc1ccccc1CNC(=O)C[NH3+] ZINC000040855247 343409882 /nfs/dbraw/zinc/40/98/82/343409882.db2.gz VPVPUGOZCSUXIB-UHFFFAOYSA-N 2 0 221.304 0.323 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000166336192 136351826 /nfs/dbraw/zinc/35/18/26/136351826.db2.gz SBZMNHBVMOCNMP-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000166335841 136351977 /nfs/dbraw/zinc/35/19/77/136351977.db2.gz SBZMNHBVMOCNMP-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCCC1 ZINC000335701471 136334158 /nfs/dbraw/zinc/33/41/58/136334158.db2.gz MLODXYOHWFMSTN-QWRGUYRKSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1coc(C[NH3+])c1 ZINC000335716414 136339730 /nfs/dbraw/zinc/33/97/30/136339730.db2.gz QJJXGURXLSDRRI-GZMMTYOYSA-N 2 0 237.303 0.466 20 0 BCADRP C[N@@H+]1CCCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000082249008 343437854 /nfs/dbraw/zinc/43/78/54/343437854.db2.gz SUEDZCKEFAVKTP-UHFFFAOYSA-N 2 0 213.325 0.278 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000576986886 365744563 /nfs/dbraw/zinc/74/45/63/365744563.db2.gz ZDHJYLKGCLHIDD-QWRGUYRKSA-N 2 0 227.352 0.490 20 0 BCADRP CN(C[C@@H](O)C[N@H+](C)CC1(O)CCC1)C1CC1 ZINC000351578966 136369148 /nfs/dbraw/zinc/36/91/48/136369148.db2.gz IKECKKJGPPTCKH-LBPRGKRZSA-N 2 0 242.363 0.288 20 0 BCADRP C[NH2+]CCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000261542284 136374418 /nfs/dbraw/zinc/37/44/18/136374418.db2.gz GMUFBYXGGAICCY-KOLCDFICSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H](CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)[NH+](C)C ZINC000616488330 343471079 /nfs/dbraw/zinc/47/10/79/343471079.db2.gz JGRYBLYOZRDGTI-UTUOFQBUSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H]1CC[N@H+](CC(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000618190510 343551933 /nfs/dbraw/zinc/55/19/33/343551933.db2.gz VYYYLDFOEQSLCU-NSHDSACASA-N 2 0 239.363 0.348 20 0 BCADRP CC(C)[NH+]1CCC(N(C)C(=O)C[NH+](C)C)CC1 ZINC000340052211 187342143 /nfs/dbraw/zinc/34/21/43/187342143.db2.gz YYVAOXKLNBDPNB-UHFFFAOYSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cnnn1C ZINC000577026127 365773779 /nfs/dbraw/zinc/77/37/79/365773779.db2.gz ITJZORMDUZQACS-PWSUYJOCSA-N 2 0 237.351 0.587 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000086271850 343616232 /nfs/dbraw/zinc/61/62/32/343616232.db2.gz ZMTSMNAXMBASTK-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]CCCN1CC[NH2+]C[C@@H]1C(F)F ZINC000379970335 365785297 /nfs/dbraw/zinc/78/52/97/365785297.db2.gz AYJFWNQNJZAECC-MRVPVSSYSA-N 2 0 207.268 0.135 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000086068249 343609515 /nfs/dbraw/zinc/60/95/15/343609515.db2.gz KUMHVVFRFMWLPZ-VHSXEESVSA-N 2 0 215.341 0.298 20 0 BCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000621623137 343677049 /nfs/dbraw/zinc/67/70/49/343677049.db2.gz WMGQLEWADORUDS-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@H](CCC(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000126344378 343699226 /nfs/dbraw/zinc/69/92/26/343699226.db2.gz PIDHOQCRGPGUJR-QWHCGFSZSA-N 2 0 247.342 0.945 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC[NH2+]C1CC1 ZINC000576052159 343701095 /nfs/dbraw/zinc/70/10/95/343701095.db2.gz CBSIVIPFHYENCC-MWLCHTKSSA-N 2 0 225.336 0.243 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[NH2+]C1CC1 ZINC000153922567 343706226 /nfs/dbraw/zinc/70/62/26/343706226.db2.gz SFNCXONVHZWOAL-JTQLQIEISA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C[NH2+]C1CC1 ZINC000153922668 343706256 /nfs/dbraw/zinc/70/62/56/343706256.db2.gz SFNCXONVHZWOAL-SNVBAGLBSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+][C@@H](CNC(=O)C[NH2+]C1CC1)c1ccccc1 ZINC000153918872 343706287 /nfs/dbraw/zinc/70/62/87/343706287.db2.gz OYPMGSUKYOLTNH-LBPRGKRZSA-N 2 0 233.315 0.555 20 0 BCADRP CCOCC[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000087977984 343682929 /nfs/dbraw/zinc/68/29/29/343682929.db2.gz IEFHEORICMPKET-NSHDSACASA-N 2 0 200.326 0.954 20 0 BCADRP C[C@@H]1C[C@@H](N(C)C(=O)C[NH2+]C2CC2)CC[N@@H+]1C ZINC000154669836 343745670 /nfs/dbraw/zinc/74/56/70/343745670.db2.gz GWYJYIILNQPAMY-PWSUYJOCSA-N 2 0 239.363 0.680 20 0 BCADRP CCC[C@@H](C)[NH2+]CCN1CC[C@H](O)C1 ZINC000624333028 343716264 /nfs/dbraw/zinc/71/62/64/343716264.db2.gz GRAZIIMXODWFRP-MNOVXSKESA-N 2 0 200.326 0.831 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000418732618 192065082 /nfs/dbraw/zinc/06/50/82/192065082.db2.gz QVARCWANPOBPPN-VHSXEESVSA-N 2 0 228.340 0.247 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000418731262 192065577 /nfs/dbraw/zinc/06/55/77/192065577.db2.gz PTDMTUFHDTXSRB-GUBZILKMSA-N 2 0 228.340 0.116 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH3+] ZINC000309091870 346963631 /nfs/dbraw/zinc/96/36/31/346963631.db2.gz BLGLUTWDGBWYLC-DTWKUNHWSA-N 2 0 201.314 0.357 20 0 BCADRP [NH3+]CCCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000576516137 343752496 /nfs/dbraw/zinc/75/24/96/343752496.db2.gz KOLGSZFWUPCCAW-NSHDSACASA-N 2 0 221.304 0.542 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000621702077 343754924 /nfs/dbraw/zinc/75/49/24/343754924.db2.gz DQAZFIJIKCDNPF-JBLDHEPKSA-N 2 0 225.336 0.230 20 0 BCADRP C[NH+](C)CCNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418728983 192065378 /nfs/dbraw/zinc/06/53/78/192065378.db2.gz RJCLDUNUHTUXIP-GHMZBOCLSA-N 2 0 242.367 0.365 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]([NH3+])CC ZINC000418739932 192066085 /nfs/dbraw/zinc/06/60/85/192066085.db2.gz ZIEVHMGMQBZNRX-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000262684253 349863176 /nfs/dbraw/zinc/86/31/76/349863176.db2.gz ZRBPADDAGASXQW-SRVKXCTJSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000262675447 349861276 /nfs/dbraw/zinc/86/12/76/349861276.db2.gz RPGXZIJBPIOUMU-NWDGAFQWSA-N 2 0 241.379 0.690 20 0 BCADRP CO[C@@H](C[NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000577054534 343825615 /nfs/dbraw/zinc/82/56/15/343825615.db2.gz AAJWJSIVKJHWDT-NSHDSACASA-N 2 0 235.287 0.202 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000570563737 323063195 /nfs/dbraw/zinc/06/31/95/323063195.db2.gz WEYHKCACGZNADL-OUAUKWLOSA-N 2 0 225.336 0.052 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000309265517 347009015 /nfs/dbraw/zinc/00/90/15/347009015.db2.gz CAQZMSANJVSYAK-NXEZZACHSA-N 2 0 215.341 0.603 20 0 BCADRP C([C@H]1CCC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000042491213 187354911 /nfs/dbraw/zinc/35/49/11/187354911.db2.gz KBFOHTCBBUPKIO-LBPRGKRZSA-N 2 0 223.364 0.766 20 0 BCADRP CC(C)(CO)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000395122431 362256936 /nfs/dbraw/zinc/25/69/36/362256936.db2.gz VAOHJVNTXGIOKJ-LBPRGKRZSA-N 2 0 244.379 0.441 20 0 BCADRP CCn1ncnc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000570582851 323063934 /nfs/dbraw/zinc/06/39/34/323063934.db2.gz LITWXUYTHXTIEX-ZJUUUORDSA-N 2 0 223.324 0.658 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)[NH3+])C1 ZINC000040624387 187281355 /nfs/dbraw/zinc/28/13/55/187281355.db2.gz AGWAACZGTXWJKZ-ZJUUUORDSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH+](C)CCc1cn(CC2CC[NH2+]CC2)nn1 ZINC000641233784 362286009 /nfs/dbraw/zinc/28/60/09/362286009.db2.gz YRVJUVMOHWNZBJ-UHFFFAOYSA-N 2 0 237.351 0.382 20 0 BCADRP CC[NH+]1CCN(Cc2nc(C)c[nH]2)CC1 ZINC000628118611 343968465 /nfs/dbraw/zinc/96/84/65/343968465.db2.gz AIOFEMHFGMHURD-UHFFFAOYSA-N 2 0 208.309 0.856 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000035663372 187286536 /nfs/dbraw/zinc/28/65/36/187286536.db2.gz KBUJEHVMFOPCSH-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000155235323 344108878 /nfs/dbraw/zinc/10/88/78/344108878.db2.gz BFWNHEJYUSAWNA-TUAOUCFPSA-N 2 0 241.379 0.818 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H](N[C@H]2CC[NH2+]C2)C1 ZINC000634733663 344113988 /nfs/dbraw/zinc/11/39/88/344113988.db2.gz KUVJJZGKXWLLLV-MNOVXSKESA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[NH+](C)C ZINC000634744650 344165804 /nfs/dbraw/zinc/16/58/04/344165804.db2.gz GAOSRLUZMWYOJP-WCFLWFBJSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC000634735318 344121813 /nfs/dbraw/zinc/12/18/13/344121813.db2.gz CFBIBVHLBKPZOJ-LPWJVIDDSA-N 2 0 224.348 0.953 20 0 BCADRP Nc1ncc(CN2CCC([NH3+])CC2)s1 ZINC000306360533 344127392 /nfs/dbraw/zinc/12/73/92/344127392.db2.gz MUVPVNPJTRXAEF-UHFFFAOYSA-N 2 0 212.322 0.648 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000156388682 344132055 /nfs/dbraw/zinc/13/20/55/344132055.db2.gz JCUCVUYUGZQENB-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000130481478 344141783 /nfs/dbraw/zinc/14/17/83/344141783.db2.gz WTVNYTVJYHHCAN-ZYHUDNBSSA-N 2 0 239.363 0.857 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000130550517 344146957 /nfs/dbraw/zinc/14/69/57/344146957.db2.gz GWWCQXYTMSWICK-VXGBXAGGSA-N 2 0 239.363 0.668 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000130625678 344151418 /nfs/dbraw/zinc/15/14/18/344151418.db2.gz CPYYENXTFBCARY-KJLIAQIISA-N 2 0 225.336 0.465 20 0 BCADRP Cn1nncc1C[NH2+]CCCC[NH+](C)C ZINC000129735832 344214310 /nfs/dbraw/zinc/21/43/10/344214310.db2.gz NNWUMNALMWGOSJ-UHFFFAOYSA-N 2 0 211.313 0.247 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CC[C@H](C)[NH3+] ZINC000622044460 344228387 /nfs/dbraw/zinc/22/83/87/344228387.db2.gz GMGLDLHOYGFKJM-VHSXEESVSA-N 3 0 203.330 0.067 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000236649787 187289356 /nfs/dbraw/zinc/28/93/56/187289356.db2.gz HUIPGWSEZLUHNL-SNVBAGLBSA-N 2 0 213.325 0.180 20 0 BCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000634751958 344203652 /nfs/dbraw/zinc/20/36/52/344203652.db2.gz ASLFXRBCHWUGLP-WDEREUQCSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752683 344204913 /nfs/dbraw/zinc/20/49/13/344204913.db2.gz QRPUHOCXQCCUMS-NSHDSACASA-N 2 0 241.379 0.880 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752794 344205413 /nfs/dbraw/zinc/20/54/13/344205413.db2.gz SLPGCHORHCIHPY-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H](C(=O)NC[C@@]1(C)CCC[NH2+]C1)[C@H](C)[NH3+] ZINC000573475952 344275127 /nfs/dbraw/zinc/27/51/27/344275127.db2.gz APXDVPNAHPSLLZ-SCVCMEIPSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H](C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@H](C)[NH3+] ZINC000573475945 344275132 /nfs/dbraw/zinc/27/51/32/344275132.db2.gz APXDVPNAHPSLLZ-JFGNBEQYSA-N 2 0 227.352 0.476 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000634764347 344276678 /nfs/dbraw/zinc/27/66/78/344276678.db2.gz QPCIHIALCXAWMP-OUAUKWLOSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000381250281 344279048 /nfs/dbraw/zinc/27/90/48/344279048.db2.gz PFLUXLAHGWXHSX-NXEZZACHSA-N 2 0 215.341 0.474 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092004534 344287519 /nfs/dbraw/zinc/28/75/19/344287519.db2.gz HYMXTFTXABFPKX-TUAOUCFPSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000573605411 344326345 /nfs/dbraw/zinc/32/63/45/344326345.db2.gz QNBQAFMDGFZTTL-GHMZBOCLSA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000035663364 344330379 /nfs/dbraw/zinc/33/03/79/344330379.db2.gz LUAWBCJOSIIFID-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000131841599 344334815 /nfs/dbraw/zinc/33/48/15/344334815.db2.gz JLXYQUOUZIFEKG-VXGBXAGGSA-N 2 0 239.363 0.492 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000570802374 323070946 /nfs/dbraw/zinc/07/09/46/323070946.db2.gz MORBEUAQNNISCE-AXFHLTTASA-N 2 0 243.351 0.079 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H](C)CCC[NH3+])[C@@H](C)[NH3+] ZINC000570800756 323070955 /nfs/dbraw/zinc/07/09/55/323070955.db2.gz ZLYLCADFHUUQBF-GMTAPVOTSA-N 2 0 229.368 0.849 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]([NH3+])CCSC ZINC000131874174 344356469 /nfs/dbraw/zinc/35/64/69/344356469.db2.gz NCXSMIAZDKMVBR-IUCAKERBSA-N 2 0 233.381 0.039 20 0 BCADRP COC(=O)CCCC[NH+]1CCC([NH3+])CC1 ZINC000600701014 344359988 /nfs/dbraw/zinc/35/99/88/344359988.db2.gz FZTHDTZZKJDSQE-UHFFFAOYSA-N 2 0 214.309 0.753 20 0 BCADRP COC(=O)CCCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000600712354 344361735 /nfs/dbraw/zinc/36/17/35/344361735.db2.gz XFQAKVJPZHCPOU-QWRGUYRKSA-N 2 0 228.336 0.999 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)CC[NH2+]C(C)C)C1 ZINC000131534989 344299194 /nfs/dbraw/zinc/29/91/94/344299194.db2.gz UHWVXHYNQDSSKV-JTQLQIEISA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H](O)[C@@H](C)[NH2+][C@@H](C)C1=CC[N@H+](C)CC1 ZINC000584287443 344421563 /nfs/dbraw/zinc/42/15/63/344421563.db2.gz KSTCZAMLCOUTKU-OUAUKWLOSA-N 2 0 212.337 0.996 20 0 BCADRP COC(=O)C(C)(C)CC[N@H+](C)CCOCC[NH3+] ZINC000600775971 344370937 /nfs/dbraw/zinc/37/09/37/344370937.db2.gz UUBAYKSRCPJPGG-UHFFFAOYSA-N 2 0 246.351 0.483 20 0 BCADRP Cc1cc(C)n(CCN2C[C@H]([NH3+])C[C@@H]2C)n1 ZINC000385208742 344376390 /nfs/dbraw/zinc/37/63/90/344376390.db2.gz CZKPFHGVXSCNHT-CMPLNLGQSA-N 2 0 222.336 0.921 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000309452915 259375578 /nfs/dbraw/zinc/37/55/78/259375578.db2.gz MYYQJIYFBMGOKO-IVZWLZJFSA-N 2 0 213.325 0.084 20 0 BCADRP CC[C@@]1(C(=O)NCC[NH+](C)C)CCC[NH2+]1 ZINC000215695689 344395436 /nfs/dbraw/zinc/39/54/36/344395436.db2.gz DEJDFZUKSIGHSY-NSHDSACASA-N 2 0 213.325 0.196 20 0 BCADRP [NH3+]CCCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000040832419 344398448 /nfs/dbraw/zinc/39/84/48/344398448.db2.gz VEZIAQLTKGHZLJ-SNVBAGLBSA-N 2 0 207.277 0.151 20 0 BCADRP C[C@@H]([NH3+])CN1CCC(OCCC[NH3+])CC1 ZINC000381268594 344477708 /nfs/dbraw/zinc/47/77/08/344477708.db2.gz UWMCGGWAAGOYRN-SNVBAGLBSA-N 2 0 215.341 0.163 20 0 BCADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000037001225 344484970 /nfs/dbraw/zinc/48/49/70/344484970.db2.gz RWVLYNZETWRGPN-RYUDHWBXSA-N 2 0 241.379 0.831 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000037484946 344508676 /nfs/dbraw/zinc/50/86/76/344508676.db2.gz IIDFUFANGWLBQH-PWSUYJOCSA-N 2 0 227.352 0.572 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH2+]C ZINC000043599880 344529439 /nfs/dbraw/zinc/52/94/39/344529439.db2.gz SUQHYKPQUBMBPG-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP [NH3+]C1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000382004749 347054189 /nfs/dbraw/zinc/05/41/89/347054189.db2.gz KQWWNQDAPZDNLY-JQWIXIFHSA-N 2 0 212.337 0.961 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000044806579 344548582 /nfs/dbraw/zinc/54/85/82/344548582.db2.gz AWNHNEHXXLDHPB-BDAKNGLRSA-N 2 0 201.314 0.038 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649619 344555037 /nfs/dbraw/zinc/55/50/37/344555037.db2.gz KHADRUWTDZBPGA-PWSUYJOCSA-N 2 0 239.363 0.570 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812659 344591698 /nfs/dbraw/zinc/59/16/98/344591698.db2.gz KKPQCLFVBATCJJ-YPMHNXCESA-N 2 0 239.363 0.811 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)C[NH3+] ZINC000045708908 344578216 /nfs/dbraw/zinc/57/82/16/344578216.db2.gz ZNIOHPMMVKTECQ-ZJUUUORDSA-N 2 0 215.341 0.428 20 0 BCADRP CC(C)[C@@H]1CN(C(=O)NC[C@H](C)[NH3+])CC[N@@H+]1C ZINC000641474810 362442520 /nfs/dbraw/zinc/44/25/20/362442520.db2.gz LZAPWGUWYHTRNI-QWRGUYRKSA-N 2 0 242.367 0.315 20 0 BCADRP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@H](C)[NH3+])CC1 ZINC000641423421 362407670 /nfs/dbraw/zinc/40/76/70/362407670.db2.gz ASYCGBOIHNKMBE-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H](C)[NH3+] ZINC000641423905 362407739 /nfs/dbraw/zinc/40/77/39/362407739.db2.gz FNDZSCZMCNJWNJ-ZJUUUORDSA-N 2 0 230.356 0.348 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H](C)[NH3+] ZINC000641423903 362407974 /nfs/dbraw/zinc/40/79/74/362407974.db2.gz FNDZSCZMCNJWNJ-UWVGGRQHSA-N 2 0 230.356 0.348 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000158293927 344584334 /nfs/dbraw/zinc/58/43/34/344584334.db2.gz DDLZDYGBLCKQOR-CHWSQXEVSA-N 2 0 237.347 0.198 20 0 BCADRP CC[NH+]1CCC(CCNC(=O)CC[NH3+])CC1 ZINC000237065910 344587221 /nfs/dbraw/zinc/58/72/21/344587221.db2.gz LOQUCCDIJGLASE-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@H](C)[NH3+] ZINC000641425983 362412910 /nfs/dbraw/zinc/41/29/10/362412910.db2.gz RGEYLVPQAOXWBO-IVZWLZJFSA-N 2 0 228.340 0.245 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H](C)[NH3+] ZINC000641425971 362413114 /nfs/dbraw/zinc/41/31/14/362413114.db2.gz RGEYLVPQAOXWBO-AEJSXWLSSA-N 2 0 228.340 0.245 20 0 BCADRP CC(C)(C)CC[NH+]1CCN(CC[NH3+])CC1 ZINC000049254384 344601437 /nfs/dbraw/zinc/60/14/37/344601437.db2.gz OROUJOKVKFKLEG-UHFFFAOYSA-N 2 0 213.369 0.999 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000577865584 344637258 /nfs/dbraw/zinc/63/72/58/344637258.db2.gz GMCIEHPYEZYYPD-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000578191570 344723689 /nfs/dbraw/zinc/72/36/89/344723689.db2.gz YCIPPMJNKXGECU-OUAUKWLOSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000309464902 347069528 /nfs/dbraw/zinc/06/95/28/347069528.db2.gz PTDCCCMWGCWDMM-CMPLNLGQSA-N 3 0 211.353 0.798 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000574156385 344684135 /nfs/dbraw/zinc/68/41/35/344684135.db2.gz ZZFLFVDIEBMJLQ-GUBZILKMSA-N 2 0 228.340 0.163 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H](C)CCCC[NH3+] ZINC000309466623 347069935 /nfs/dbraw/zinc/06/99/35/347069935.db2.gz QDMWPOFJHDEUSP-SNVBAGLBSA-N 2 0 215.341 0.620 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000562976835 323077732 /nfs/dbraw/zinc/07/77/32/323077732.db2.gz UEYQPUVBKXJCKM-GMTAPVOTSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000583382213 344858799 /nfs/dbraw/zinc/85/87/99/344858799.db2.gz PFTPNOGAMRYMJE-NTZNESFSSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000319009605 259381724 /nfs/dbraw/zinc/38/17/24/259381724.db2.gz OXNVPPGTRIDUQM-MNOVXSKESA-N 2 0 200.326 0.999 20 0 BCADRP O=C(CC1CC[NH2+]CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000578748393 344909880 /nfs/dbraw/zinc/90/98/80/344909880.db2.gz YVFSGEBBTWJJQC-NEPJUHHUSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H]1CN(C(=O)c2ccc(C[NH3+])o2)C[C@H](C)[NH2+]1 ZINC000153710340 344959516 /nfs/dbraw/zinc/95/95/16/344959516.db2.gz ZOKLJWVWDXGNJB-IUCAKERBSA-N 2 0 237.303 0.561 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C[NH2+]C1CC1 ZINC000153930973 345000909 /nfs/dbraw/zinc/00/09/09/345000909.db2.gz BEDZFSNLJMMNPH-SNVBAGLBSA-N 2 0 213.325 0.372 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000335347381 534984407 /nfs/dbraw/zinc/98/44/07/534984407.db2.gz YVNFYEFTUSIFGL-ZJUUUORDSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC[C@H](O)C[NH+](C)C ZINC000154303151 345026136 /nfs/dbraw/zinc/02/61/36/345026136.db2.gz XXNMEYNELWPRSA-MROQNXINSA-N 2 0 243.395 0.227 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000154395987 345030918 /nfs/dbraw/zinc/03/09/18/345030918.db2.gz XDIHQQKFEGDROS-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+]1CCCC1 ZINC000667582287 537884400 /nfs/dbraw/zinc/88/44/00/537884400.db2.gz ROXNQANPLKVMLH-RYUDHWBXSA-N 2 0 210.321 0.851 20 0 BCADRP CC[C@H](COC)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000155110094 345070607 /nfs/dbraw/zinc/07/06/07/345070607.db2.gz JRSBTZMQNKCABX-QWHCGFSZSA-N 2 0 243.395 0.637 20 0 BCADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1COCCO1 ZINC000156051708 345120620 /nfs/dbraw/zinc/12/06/20/345120620.db2.gz OQDMYZADAXSOJT-YNEHKIRRSA-N 2 0 240.347 0.618 20 0 BCADRP C[C@@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000579711441 345167851 /nfs/dbraw/zinc/16/78/51/345167851.db2.gz ABWBOJJIYMQIQG-JQWIXIFHSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634990832 345173606 /nfs/dbraw/zinc/17/36/06/345173606.db2.gz FEQCKHWVNPYOSQ-QCXCNERSSA-N 2 0 223.364 0.798 20 0 BCADRP C[NH2+]C[C@H]1CCN(C[C@H](C[NH3+])C(C)C)C1 ZINC000634990843 345173652 /nfs/dbraw/zinc/17/36/52/345173652.db2.gz FOIWMWPUTKSKDD-NEPJUHHUSA-N 2 0 213.369 0.759 20 0 BCADRP CCCN(CC12CC(C1)C[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000634991168 345173940 /nfs/dbraw/zinc/17/39/40/345173940.db2.gz SEUDGUDWEOJUPK-CPCZMJQVSA-N 2 0 223.364 0.812 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000634990931 345173952 /nfs/dbraw/zinc/17/39/52/345173952.db2.gz IINVPHOGRKUEJO-IJLUTSLNSA-N 2 0 213.369 0.900 20 0 BCADRP C[C@@H]1CCCN(CC23CC(C2)C[NH2+]3)[C@@H]1C[NH3+] ZINC000634990995 345174091 /nfs/dbraw/zinc/17/40/91/345174091.db2.gz KZNGRXBQHAEFOV-CQLXCSJHSA-N 2 0 223.364 0.798 20 0 BCADRP C[NH2+]C1CCN(C[C@@H](C[NH3+])C(C)C)CC1 ZINC000634990952 345174110 /nfs/dbraw/zinc/17/41/10/345174110.db2.gz IXBLWQUWADFZCY-LLVKDONJSA-N 2 0 213.369 0.901 20 0 BCADRP C[C@H]([NH3+])C1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991213 345174312 /nfs/dbraw/zinc/17/43/12/345174312.db2.gz UUYGRSVOKFRWFW-ZBOXLXRLSA-N 2 0 223.364 0.798 20 0 BCADRP C[C@H]1CN(CC23CC(C2)C[NH2+]3)CC[C@H]1[NH3+] ZINC000634991332 345174859 /nfs/dbraw/zinc/17/48/59/345174859.db2.gz ZVPXFTXEHZPORV-UZEXVOJHSA-N 2 0 209.337 0.408 20 0 BCADRP C[C@H]1[NH2+]CCN(CC23CC(C2)C[NH2+]3)[C@H]1C ZINC000634991448 345177545 /nfs/dbraw/zinc/17/75/45/345177545.db2.gz DXLSZCRABMSWMF-QKEWWQLBSA-N 2 0 209.337 0.421 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1CC12CC(C1)C[NH2+]2 ZINC000634991446 345177768 /nfs/dbraw/zinc/17/77/68/345177768.db2.gz DXLSZCRABMSWMF-DMOGRIERSA-N 2 0 209.337 0.421 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1CC12CC(C1)C[NH2+]2 ZINC000634991479 345177794 /nfs/dbraw/zinc/17/77/94/345177794.db2.gz GHVGMNLPEGNZJA-DMOGRIERSA-N 2 0 209.337 0.408 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634991928 345179128 /nfs/dbraw/zinc/17/91/28/345179128.db2.gz WYAWQJIZZCODQD-UZEXVOJHSA-N 2 0 209.337 0.408 20 0 BCADRP C(N1[C@@H]2CC[C@H]1C[NH2+]CC2)C12CC(C1)C[NH2+]2 ZINC000634991920 345179292 /nfs/dbraw/zinc/17/92/92/345179292.db2.gz WUJLEIHLYDRULP-QBHFIFKDSA-N 2 0 221.348 0.565 20 0 BCADRP C(N1CCC[C@]2(CC[NH2+]C2)C1)C12CC(C1)C[NH2+]2 ZINC000634994753 345182353 /nfs/dbraw/zinc/18/23/53/345182353.db2.gz MAVXRDVIXHYHHP-ROKHWSDSSA-N 2 0 235.375 0.814 20 0 BCADRP C(N1CC[C@H]2[NH2+]CC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634994804 345182440 /nfs/dbraw/zinc/18/24/40/345182440.db2.gz NARQSSLCKMEDRS-QZQSVVMZSA-N 2 0 221.348 0.422 20 0 BCADRP C[C@H]1CN(CC23CC(C2)C[NH2+]3)[C@@H](C)C[NH2+]1 ZINC000634994812 345182487 /nfs/dbraw/zinc/18/24/87/345182487.db2.gz NLQZOJAPAUDETE-JYBOHDQNSA-N 2 0 209.337 0.421 20 0 BCADRP C[C@]1(F)C[NH2+]CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634994623 345182853 /nfs/dbraw/zinc/18/28/53/345182853.db2.gz JCVZFYQYXJEVOL-CXQJBGSLSA-N 2 0 227.327 0.372 20 0 BCADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC12CC(C1)C[NH2+]2 ZINC000634994673 345182908 /nfs/dbraw/zinc/18/29/08/345182908.db2.gz KDKNRBPSYMVLAW-OKZRHMCRSA-N 2 0 223.364 0.763 20 0 BCADRP CC(C)[C@H](C[NH3+])C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000634995059 345183823 /nfs/dbraw/zinc/18/38/23/345183823.db2.gz TXPVZFDZEUKJGB-NWDGAFQWSA-N 3 0 213.369 0.807 20 0 BCADRP [NH3+]CC[C@@H](NCC12CC(C1)C[NH2+]2)C(F)F ZINC000634995702 345185232 /nfs/dbraw/zinc/18/52/32/345185232.db2.gz MSQJWTFHUCYEKN-CCNFQMFXSA-N 2 0 219.279 0.311 20 0 BCADRP CC(C)[C@@H](C[NH3+])CNC[C@H]1C[NH2+]CCCO1 ZINC000634995897 345185860 /nfs/dbraw/zinc/18/58/60/345185860.db2.gz SDSDNZQHODGUQS-NWDGAFQWSA-N 2 0 229.368 0.185 20 0 BCADRP CCC[NH2+]CCNC[C@@H](C[NH3+])C(C)C ZINC000634996041 345185868 /nfs/dbraw/zinc/18/58/68/345185868.db2.gz XQRFORIMUZZJKS-LLVKDONJSA-N 2 0 201.358 0.807 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000634995979 345186113 /nfs/dbraw/zinc/18/61/13/345186113.db2.gz VJYWNDZBVHZBMN-ZYGVAYEYSA-N 3 0 209.337 0.455 20 0 BCADRP [NH3+]CC[C@@H](NCC1(C[NH3+])CC1)C(F)F ZINC000634995983 345186124 /nfs/dbraw/zinc/18/61/24/345186124.db2.gz VLUNOAOYGKGVCA-SSDOTTSWSA-N 2 0 207.268 0.297 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000634996107 345186695 /nfs/dbraw/zinc/18/66/95/345186695.db2.gz ZLKUPKMTGDCAIU-AKJDGMEZSA-N 2 0 223.364 0.716 20 0 BCADRP O=C1CC[C@@H]2CN(CC34CC(C3)C[NH2+]4)CC[C@@H]2N1 ZINC000634996908 345186926 /nfs/dbraw/zinc/18/69/26/345186926.db2.gz YRGXGTVMFIDQPX-BEVNXUHPSA-N 2 0 249.358 0.339 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CC[C@@](C)(C[NH3+])C1 ZINC000634993620 345191070 /nfs/dbraw/zinc/19/10/70/345191070.db2.gz ACCDODDUUNSYHZ-NEPJUHHUSA-N 3 0 213.369 0.888 20 0 BCADRP C(NCC12CC(C1)C[NH2+]2)[C@@H]1CCCCO1 ZINC000634996218 345187333 /nfs/dbraw/zinc/18/73/33/345187333.db2.gz DDXJYVYXZKYOKF-CXQJBGSLSA-N 2 0 210.321 0.897 20 0 BCADRP CCN(CC[NH2+][C@H]1CCNC(=O)CC1)C1CC1 ZINC000634958597 345132466 /nfs/dbraw/zinc/13/24/66/345132466.db2.gz UVHSARQOUYFZRI-LLVKDONJSA-N 2 0 239.363 0.729 20 0 BCADRP CCO[C@@H]1C[N@H+](C[C@@H](C[NH3+])C(C)C)C[C@H]1C[NH3+] ZINC000634996165 345187617 /nfs/dbraw/zinc/18/76/17/345187617.db2.gz BJRAVQHHJLSCCB-JHJVBQTASA-N 3 0 243.395 0.513 20 0 BCADRP C[C@H](C(=O)NCC(C)(C)C[NH+](C)C)[NH+](C)C ZINC000635137742 345256145 /nfs/dbraw/zinc/25/61/45/345256145.db2.gz QHPOTFOOYZKIOV-SNVBAGLBSA-N 2 0 229.368 0.641 20 0 BCADRP C[NH+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000635069309 345238731 /nfs/dbraw/zinc/23/87/31/345238731.db2.gz PGHNYLKLSSPNLF-UHFFFAOYSA-N 2 0 213.325 0.006 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@H](C)[NH+](C)C ZINC000635076416 345240936 /nfs/dbraw/zinc/24/09/36/345240936.db2.gz SCNSVXKXFTZIAW-LLVKDONJSA-N 2 0 229.368 0.785 20 0 BCADRP C(N[C@@H]1CC[NH2+]C12CCC2)C12CC(C1)C[NH2+]2 ZINC000634997212 345194482 /nfs/dbraw/zinc/19/44/82/345194482.db2.gz GFQAJIVQEOTLIW-MOENNCHZSA-N 2 0 221.348 0.613 20 0 BCADRP C[C@@H]1CC[C@H](NCC23CC(C2)C[NH2+]3)C[NH2+]1 ZINC000634997329 345195676 /nfs/dbraw/zinc/19/56/76/345195676.db2.gz JAZGQKCXEWBWDW-ZYGVAYEYSA-N 2 0 209.337 0.469 20 0 BCADRP C[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000634998293 345198519 /nfs/dbraw/zinc/19/85/19/345198519.db2.gz CYSGTPQRHPYLFF-IJLUTSLNSA-N 2 0 211.353 0.513 20 0 BCADRP C[C@@H]1CN(CC[NH2+]C(C)(C)C)C[C@H]1C[NH3+] ZINC000634998851 345199738 /nfs/dbraw/zinc/19/97/38/345199738.db2.gz LSSAXAFLSYUCOZ-GHMZBOCLSA-N 2 0 213.369 0.901 20 0 BCADRP C[C@@H]1C[C@H](CN2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000635001609 345202216 /nfs/dbraw/zinc/20/22/16/345202216.db2.gz AQJUFRZBJFVUMR-LPWJVIDDSA-N 2 0 223.364 0.811 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1CCC([NH2+]CCO)CC1 ZINC000635002391 345204014 /nfs/dbraw/zinc/20/40/14/345204014.db2.gz ORBBSJWRCMWXNV-GFCCVEGCSA-N 2 0 243.395 0.406 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000449080885 201803676 /nfs/dbraw/zinc/80/36/76/201803676.db2.gz ADFQAGOALPHVTK-UWVGGRQHSA-N 2 0 227.352 0.489 20 0 BCADRP C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)C1C[NH2+]C1 ZINC000635012810 345214921 /nfs/dbraw/zinc/21/49/21/345214921.db2.gz VPYVGTPXYFCXAV-ZYHUDNBSSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000635254378 345287613 /nfs/dbraw/zinc/28/76/13/345287613.db2.gz CJONQAVTFUSYPI-RKDXNWHRSA-N 2 0 201.314 0.003 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000131720893 345306090 /nfs/dbraw/zinc/30/60/90/345306090.db2.gz LIXXWLNBGQJREG-VHSXEESVSA-N 2 0 245.392 0.325 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[NH+](C)C ZINC000635328521 345309843 /nfs/dbraw/zinc/30/98/43/345309843.db2.gz PCMYYCNBNCVSCB-UTUOFQBUSA-N 2 0 239.363 0.680 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000158527458 345345823 /nfs/dbraw/zinc/34/58/23/345345823.db2.gz KGDOZCRMSMHDNF-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@H+](C)C2)CC1 ZINC000635400406 345347028 /nfs/dbraw/zinc/34/70/28/345347028.db2.gz VQUXPHXRSRJQSG-LLVKDONJSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000635403027 345349052 /nfs/dbraw/zinc/34/90/52/345349052.db2.gz YSKJTJBSNKTCCG-MNOVXSKESA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000635422369 345358141 /nfs/dbraw/zinc/35/81/41/345358141.db2.gz LXQMPFTVTBNKOA-ZJUUUORDSA-N 2 0 225.336 0.289 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000248447980 345389282 /nfs/dbraw/zinc/38/92/82/345389282.db2.gz DLJZROFGXAQEDX-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000168986122 345418420 /nfs/dbraw/zinc/41/84/20/345418420.db2.gz LOPRVBGGLHHJJQ-UWVGGRQHSA-N 2 0 214.309 0.751 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCC([NH3+])CC1 ZINC000575121249 345420054 /nfs/dbraw/zinc/42/00/54/345420054.db2.gz FNCYCSZMOWGCJB-BDAKNGLRSA-N 2 0 228.340 0.245 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000575122200 345450807 /nfs/dbraw/zinc/45/08/07/345450807.db2.gz BNUSKLWBWDEMTN-YFKTTZPYSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](C(=O)NC[C@H](C)[NH+]1CCCC1)[NH+](C)C ZINC000635503070 345403254 /nfs/dbraw/zinc/40/32/54/345403254.db2.gz KNJVRRLYLWWNCI-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000449175331 201827879 /nfs/dbraw/zinc/82/78/79/201827879.db2.gz JRLNBYQMPFNEIH-GMTAPVOTSA-N 2 0 227.352 0.583 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000090849870 345577292 /nfs/dbraw/zinc/57/72/92/345577292.db2.gz ILYFJOMGAOEZAM-FVCCEPFGSA-N 2 0 242.363 0.456 20 0 BCADRP COC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000068892052 349931132 /nfs/dbraw/zinc/93/11/32/349931132.db2.gz KFJDNFDPOSHHLI-NEPJUHHUSA-N 2 0 230.352 0.315 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000563107185 323092747 /nfs/dbraw/zinc/09/27/47/323092747.db2.gz AFIMBSKEGWIFSK-SCVCMEIPSA-N 2 0 225.336 0.100 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000563116845 323093290 /nfs/dbraw/zinc/09/32/90/323093290.db2.gz OMTDNCCTSFFJRQ-UTLUCORTSA-N 2 0 213.325 0.213 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000563116806 323093326 /nfs/dbraw/zinc/09/33/26/323093326.db2.gz NPICPSYGIZBVIV-LLVKDONJSA-N 2 0 239.363 0.490 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)NCC[NH+](C)C)cc1 ZINC000083362633 178905001 /nfs/dbraw/zinc/90/50/01/178905001.db2.gz VWGJRADMCUTLEQ-LBPRGKRZSA-N 2 0 235.331 0.673 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1 ZINC000262677408 178905709 /nfs/dbraw/zinc/90/57/09/178905709.db2.gz UQXGJMNJLGJVFS-OLZOCXBDSA-N 2 0 247.342 0.815 20 0 BCADRP CCCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000220578305 345746642 /nfs/dbraw/zinc/74/66/42/345746642.db2.gz MNJWJNMRKVPVEZ-GFCCVEGCSA-N 2 0 211.353 0.766 20 0 BCADRP C[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635559516 345748163 /nfs/dbraw/zinc/74/81/63/345748163.db2.gz SSOAYFGCCSUVIR-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+]1CCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635559514 345748720 /nfs/dbraw/zinc/74/87/20/345748720.db2.gz SSOAYFGCCSUVIR-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635558711 345756802 /nfs/dbraw/zinc/75/68/02/345756802.db2.gz MLVZAEPEFVERAE-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP Cc1noc(CCC[N@@H+]2CC[C@@](C)(C[NH3+])C2)n1 ZINC000563149781 323095522 /nfs/dbraw/zinc/09/55/22/323095522.db2.gz JAPIMKKUFQTYIH-LBPRGKRZSA-N 2 0 238.335 0.981 20 0 BCADRP [NH3+]CCCN1CC[NH2+]C[C@H]1c1ccncc1 ZINC000196816048 345725744 /nfs/dbraw/zinc/72/57/44/345725744.db2.gz XTLPHSOXUBVUOQ-LBPRGKRZSA-N 2 0 220.320 0.377 20 0 BCADRP CC(C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000200125212 345728143 /nfs/dbraw/zinc/72/81/43/345728143.db2.gz WAZANTFLJQYBNJ-UHFFFAOYSA-N 2 0 213.369 0.964 20 0 BCADRP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000635558452 345735681 /nfs/dbraw/zinc/73/56/81/345735681.db2.gz LFWMXKIJPYCUBU-ZJUUUORDSA-N 2 0 213.325 0.147 20 0 BCADRP Cc1ccc(CNC[C@@H]2C[NH2+]CCN2C)cc1 ZINC000211136751 345737454 /nfs/dbraw/zinc/73/74/54/345737454.db2.gz WSPBSEPOWVVAJG-AWEZNQCLSA-N 2 0 233.359 0.988 20 0 BCADRP [NH3+]CCOCCN1CCC([NH2+]CC2CC2)CC1 ZINC000563155246 323095944 /nfs/dbraw/zinc/09/59/44/323095944.db2.gz XYSBWAIIYBOOBS-UHFFFAOYSA-N 2 0 241.379 0.426 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635559555 345760472 /nfs/dbraw/zinc/76/04/72/345760472.db2.gz TWTIINYJDPEKGC-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH+](C)CCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC000635560394 345762493 /nfs/dbraw/zinc/76/24/93/345762493.db2.gz LTXWYNHRHIGZQK-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP C[S@@](=O)CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159982138 345766501 /nfs/dbraw/zinc/76/65/01/345766501.db2.gz WQBGQSDNBSSOLL-HSMVNMDESA-N 2 0 244.404 0.971 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000381382289 345769657 /nfs/dbraw/zinc/76/96/57/345769657.db2.gz LPHHZMWKHLWTKR-GUBZILKMSA-N 2 0 213.325 0.086 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000137512027 345847349 /nfs/dbraw/zinc/84/73/49/345847349.db2.gz FZBSCBGDUADVGB-SNVBAGLBSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)[NH+](C)C ZINC000635573438 345827621 /nfs/dbraw/zinc/82/76/21/345827621.db2.gz UWWMTHOXFXQFLU-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H]([NH2+]CCCC(=O)N(C)C)[C@H]1CCCC[NH2+]1 ZINC000390330404 259386254 /nfs/dbraw/zinc/38/62/54/259386254.db2.gz HKEGGKRYFDJALB-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC1CC[NH2+]CC1 ZINC000381440121 345904108 /nfs/dbraw/zinc/90/41/08/345904108.db2.gz DUDTXACICXFFSR-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP COC(=O)[C@@H](C)N(C)CCn1ccnc1 ZINC000280512643 345912438 /nfs/dbraw/zinc/91/24/38/345912438.db2.gz DDZMGYURHYISOA-SECBINFHSA-N 2 0 211.265 0.376 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000178976826 345918996 /nfs/dbraw/zinc/91/89/96/345918996.db2.gz KDSZQGHWGXJCLN-LLVKDONJSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@H](C(=O)N1CC[NH2+]C(C)(C)C1)[NH+](C)C ZINC000635644177 345919266 /nfs/dbraw/zinc/91/92/66/345919266.db2.gz DAOMFIKMYAEDSY-SECBINFHSA-N 2 0 213.325 0.147 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000381455647 345936447 /nfs/dbraw/zinc/93/64/47/345936447.db2.gz JIWSAHZARPJILL-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000334207934 133586421 /nfs/dbraw/zinc/58/64/21/133586421.db2.gz LLIRXFYIGNNBLO-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](C(=O)NCC1(C)CC[NH+](C)CC1)[NH+](C)C ZINC000635782724 346056413 /nfs/dbraw/zinc/05/64/13/346056413.db2.gz JVUHESRLCFZTKT-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000381491193 346058214 /nfs/dbraw/zinc/05/82/14/346058214.db2.gz XTZKUVBRZBBEKV-AATLWQCWSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@H](C(=O)NCC1=CC[N@H+](C)CC1)[NH+](C)C ZINC000635769162 346058888 /nfs/dbraw/zinc/05/88/88/346058888.db2.gz HKJFFFPJXBPMNX-SNVBAGLBSA-N 2 0 225.336 0.315 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NCc1cnc2cnccn12 ZINC000333088411 187365282 /nfs/dbraw/zinc/36/52/82/187365282.db2.gz CANFJLBUFNBEPX-NSHDSACASA-N 2 0 245.330 0.959 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000449372077 201889573 /nfs/dbraw/zinc/88/95/73/201889573.db2.gz CCEZOURFYUDZQQ-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000449375037 201890967 /nfs/dbraw/zinc/89/09/67/201890967.db2.gz DMVVTDUUODQNLP-SRVKXCTJSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H](C(=O)NC1(C[NH+](C)C)CCC1)[NH+](C)C ZINC000635890866 346103255 /nfs/dbraw/zinc/10/32/55/346103255.db2.gz BICAYVVGDYDEME-SNVBAGLBSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635929178 346110881 /nfs/dbraw/zinc/11/08/81/346110881.db2.gz RPXNQPDDBWLIOC-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@H](C(=O)NCc1ccc2c[nH+]cn2c1)[NH+](C)C ZINC000636017503 346157600 /nfs/dbraw/zinc/15/76/00/346157600.db2.gz ZHJWWFPRPVKHQM-SNVBAGLBSA-N 2 0 246.314 0.901 20 0 BCADRP CC(=O)NCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000121377733 187318831 /nfs/dbraw/zinc/31/88/31/187318831.db2.gz IOCYJJCHHDZSMR-NQBHXWOUSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H](C(=O)NC1CCC([NH+](C)C)CC1)[NH+](C)C ZINC000636054455 346300984 /nfs/dbraw/zinc/30/09/84/346300984.db2.gz ZWUDXNHLWMDEMD-UNXYVOJBSA-N 2 0 241.379 0.926 20 0 BCADRP C[NH+](C)CCN1C(=O)C[C@H]([NH2+]C(C)(C)C)C1=O ZINC000563348073 323119822 /nfs/dbraw/zinc/11/98/22/323119822.db2.gz HGVBVNAKDHEOHH-VIFPVBQESA-N 2 0 241.335 0.064 20 0 BCADRP C[C@H](C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C)[NH+](C)C ZINC000636121173 346324497 /nfs/dbraw/zinc/32/44/97/346324497.db2.gz UYWFWEUZHZALBZ-OUAUKWLOSA-N 2 0 241.379 0.781 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH3+] ZINC000069732791 349954727 /nfs/dbraw/zinc/95/47/27/349954727.db2.gz GDBMRCFBXKCUJN-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP C[NH+](C)[C@H]1CN(CC[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000563366815 323121500 /nfs/dbraw/zinc/12/15/00/323121500.db2.gz XTPRYLMJLUCMNN-AGIUHOORSA-N 2 0 241.379 0.077 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000381596591 346399959 /nfs/dbraw/zinc/39/99/59/346399959.db2.gz FQZGKRVCAQZXES-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000574906538 346408199 /nfs/dbraw/zinc/40/81/99/346408199.db2.gz PKNYVXXCHMFUHQ-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@H]1CC[N@H+](CCc2cncn2C)C[C@@H]1C[NH3+] ZINC000641797960 362738541 /nfs/dbraw/zinc/73/85/41/362738541.db2.gz AXXRPFLJMCBUHV-RYUDHWBXSA-N 3 0 236.363 0.879 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCc1cncn1C ZINC000641798165 362743006 /nfs/dbraw/zinc/74/30/06/362743006.db2.gz LWOKWSJFLIHHSB-WDEREUQCSA-N 2 0 222.336 0.632 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1cncn1C ZINC000641798164 362743080 /nfs/dbraw/zinc/74/30/80/362743080.db2.gz LWOKWSJFLIHHSB-QWRGUYRKSA-N 2 0 222.336 0.632 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@H+](CCc2cncn2C)C1 ZINC000641796972 362741659 /nfs/dbraw/zinc/74/16/59/362741659.db2.gz OCLOSVIZJYOGKO-LBPRGKRZSA-N 2 0 236.363 0.894 20 0 BCADRP COC[C@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000580064951 346503855 /nfs/dbraw/zinc/50/38/55/346503855.db2.gz ZUSHBPHDDOLOMP-GFCCVEGCSA-N 2 0 235.287 0.431 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC1CC[NH2+]CC1 ZINC000580071492 346507545 /nfs/dbraw/zinc/50/75/45/346507545.db2.gz UJMZQYZEPXJQAK-DTWKUNHWSA-N 2 0 228.340 0.163 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000641801830 362757579 /nfs/dbraw/zinc/75/75/79/362757579.db2.gz FPPFNUGKQODWNL-MNOVXSKESA-N 3 0 211.353 0.701 20 0 BCADRP CC1(C)[C@H]([NH2+]CC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000641801832 362757746 /nfs/dbraw/zinc/75/77/46/362757746.db2.gz FPPFNUGKQODWNL-WDEREUQCSA-N 3 0 211.353 0.701 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]Cc2cnc(N(C)C)n2C)CO1 ZINC000402161067 349972254 /nfs/dbraw/zinc/97/22/54/349972254.db2.gz QRJVEQNSPFLOPY-ZJUUUORDSA-N 2 0 238.335 0.753 20 0 BCADRP C[C@@H]1CC[C@H](C[NH3+])N(C[C@H]2C[NH2+]CCO2)[C@@H]1C ZINC000641809546 362766733 /nfs/dbraw/zinc/76/67/33/362766733.db2.gz RGHYMLKHZGVVMR-FDYHWXHSSA-N 2 0 241.379 0.423 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)CCC[NH3+] ZINC000580632526 365833654 /nfs/dbraw/zinc/83/36/54/365833654.db2.gz NMIGVCWRBOCJOZ-NSHDSACASA-N 2 0 244.383 0.705 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@](C)(O)CC1 ZINC000380157928 346582782 /nfs/dbraw/zinc/58/27/82/346582782.db2.gz KFYVXZHHJDJQBD-QWHCGFSZSA-N 2 0 244.379 0.536 20 0 BCADRP COC[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380196296 346588103 /nfs/dbraw/zinc/58/81/03/346588103.db2.gz RCYYTMBIJGNVHT-SDDRHHMPSA-N 2 0 212.337 0.953 20 0 BCADRP COC[C@H](C)C[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000580169126 346591732 /nfs/dbraw/zinc/59/17/32/346591732.db2.gz XTYPXYDLPDBOSD-GFCCVEGCSA-N 2 0 244.379 0.875 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCC[NH2+]C ZINC000563595436 323131206 /nfs/dbraw/zinc/13/12/06/323131206.db2.gz IWIURWDYACMHHT-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP Cn1ncnc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380052391 365830997 /nfs/dbraw/zinc/83/09/97/365830997.db2.gz VWEKWLIXDVDPKU-PHIMTYICSA-N 2 0 235.335 0.247 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000300406727 346612825 /nfs/dbraw/zinc/61/28/25/346612825.db2.gz BGJPUERENPFPBQ-DGCLKSJQSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2CC[C@@H]([NH2+]C3CC3)C2)co1 ZINC000580194073 346648759 /nfs/dbraw/zinc/64/87/59/346648759.db2.gz QLAARYWTLYIDRR-LLVKDONJSA-N 2 0 249.314 0.705 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC[C@@H]1[NH3+] ZINC000580197452 346654191 /nfs/dbraw/zinc/65/41/91/346654191.db2.gz JNEMHPHRBIUUOK-KXUCPTDWSA-N 2 0 227.352 0.556 20 0 BCADRP C[C@H](NC(=O)CCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000580189927 346643095 /nfs/dbraw/zinc/64/30/95/346643095.db2.gz LJNHZQZVNDKXQU-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H](NC(=O)CCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000580189924 346643378 /nfs/dbraw/zinc/64/33/78/346643378.db2.gz LJNHZQZVNDKXQU-GHMZBOCLSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000381699110 346709229 /nfs/dbraw/zinc/70/92/29/346709229.db2.gz ICPQBLSLUAWLIC-IUCAKERBSA-N 2 0 213.325 0.167 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)C[C@@H](C)[NH3+] ZINC000037825198 346710142 /nfs/dbraw/zinc/71/01/42/346710142.db2.gz PJKQKCLBNCWYOS-LLVKDONJSA-N 2 0 229.368 0.770 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000193170499 346711655 /nfs/dbraw/zinc/71/16/55/346711655.db2.gz NZCYCNHLVHYUMB-GHMZBOCLSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H](c1cccnc1)N(C)C[C@H](O)C[NH3+] ZINC000580650300 365845340 /nfs/dbraw/zinc/84/53/40/365845340.db2.gz VZWPKVJBMILYGA-GXSJLCMTSA-N 2 0 209.293 0.394 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000580212463 346686091 /nfs/dbraw/zinc/68/60/91/346686091.db2.gz MNWCSQGITQEYJX-NEPJUHHUSA-N 3 0 209.337 0.766 20 0 BCADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H](C)[NH2+]C ZINC000580215752 346699638 /nfs/dbraw/zinc/69/96/38/346699638.db2.gz CFTNULTVXQAJBR-GXFFZTMASA-N 2 0 249.358 0.973 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CCC(C[NH2+]C)CC1 ZINC000577176305 365859362 /nfs/dbraw/zinc/85/93/62/365859362.db2.gz QORMNSQQCKXPAQ-ZDUSSCGKSA-N 2 0 241.379 0.962 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000300420943 346745343 /nfs/dbraw/zinc/74/53/43/346745343.db2.gz APCDGISACBPSON-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC000577177261 365858376 /nfs/dbraw/zinc/85/83/76/365858376.db2.gz ODZPBNFDICMEDG-BLFANLJRSA-N 2 0 237.347 0.230 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)COC1CCC([NH3+])CC1 ZINC000577177161 365858413 /nfs/dbraw/zinc/85/84/13/365858413.db2.gz IHVSFQRGIGHIFJ-KPPDAEKUSA-N 2 0 243.351 0.126 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCC[NH3+] ZINC000518766811 346792746 /nfs/dbraw/zinc/79/27/46/346792746.db2.gz URQKOGYUTMWHSP-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@]1(CN2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]C1 ZINC000622003577 370654609 /nfs/dbraw/zinc/65/46/09/370654609.db2.gz BXUUITCPGKAGGY-FRRDWIJNSA-N 3 0 223.364 0.799 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000378663275 346798469 /nfs/dbraw/zinc/79/84/69/346798469.db2.gz BAMSRKHHMIHYNE-GUBZILKMSA-N 2 0 213.325 0.215 20 0 BCADRP C[C@]1(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]C1 ZINC000622003578 370653900 /nfs/dbraw/zinc/65/39/00/370653900.db2.gz BXUUITCPGKAGGY-RWMBFGLXSA-N 3 0 223.364 0.799 20 0 BCADRP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@@H]1CO ZINC000622004857 370655169 /nfs/dbraw/zinc/65/51/69/370655169.db2.gz VTRAFYPUHCJLTC-WCQYABFASA-N 2 0 226.364 0.936 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000309746775 347153462 /nfs/dbraw/zinc/15/34/62/347153462.db2.gz FULFXGVNYXEXOJ-IVZWLZJFSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@H](CN1CCOCC1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000582063286 347157378 /nfs/dbraw/zinc/15/73/78/347157378.db2.gz WKTOBCSUMVWJBX-JHJVBQTASA-N 2 0 241.379 0.376 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000582062087 347159163 /nfs/dbraw/zinc/15/91/63/347159163.db2.gz QBFLQEJOPMNKNT-HLTSFMKQSA-N 2 0 249.305 0.603 20 0 BCADRP Cn1cc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000087765871 362787124 /nfs/dbraw/zinc/78/71/24/362787124.db2.gz FJJYDYSPQGTDFV-VXGBXAGGSA-N 2 0 222.336 0.822 20 0 BCADRP COC(=O)CCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601326452 347208788 /nfs/dbraw/zinc/20/87/88/347208788.db2.gz MYQHNMDAEKBCCJ-VHSXEESVSA-N 2 0 214.309 0.466 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000310073696 347226415 /nfs/dbraw/zinc/22/64/15/347226415.db2.gz FKHXWSGSWPWIPG-DTWKUNHWSA-N 2 0 249.305 0.569 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000310073699 347226492 /nfs/dbraw/zinc/22/64/92/347226492.db2.gz FKHXWSGSWPWIPG-RKDXNWHRSA-N 2 0 249.305 0.569 20 0 BCADRP CCN1CCC[C@H]1C[NH2+][C@H]1CCCNC(=O)C1 ZINC000250454584 362805296 /nfs/dbraw/zinc/80/52/96/362805296.db2.gz ZYOGYOZZVDQBIJ-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](OC)C1 ZINC000571337260 323141803 /nfs/dbraw/zinc/14/18/03/323141803.db2.gz SIXOYZDNNSBSAX-MNOVXSKESA-N 2 0 216.325 0.068 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000641946687 362808424 /nfs/dbraw/zinc/80/84/24/362808424.db2.gz QSZHDAZVSWNNCR-GARJFASQSA-N 2 0 240.351 0.260 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN[C@H](C)c1cnn(C)c1 ZINC000310442274 347282917 /nfs/dbraw/zinc/28/29/17/347282917.db2.gz WCTTUXRNAPDSAM-ZYHUDNBSSA-N 2 0 240.351 0.383 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC1CC[NH+](C)CC1 ZINC000165390763 133655545 /nfs/dbraw/zinc/65/55/45/133655545.db2.gz LCTRCRNDIIHOPA-NXEZZACHSA-N 2 0 227.352 0.428 20 0 BCADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000250610967 362812576 /nfs/dbraw/zinc/81/25/76/362812576.db2.gz MQFPBBJKTIQJPY-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH3+] ZINC000019483202 347329398 /nfs/dbraw/zinc/32/93/98/347329398.db2.gz FKVGMHMWZNLATK-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP [NH3+]CCCC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000335753570 136744365 /nfs/dbraw/zinc/74/43/65/136744365.db2.gz GDDZRHLDPRQCIV-UHFFFAOYSA-N 2 0 239.363 0.718 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000582120889 347391500 /nfs/dbraw/zinc/39/15/00/347391500.db2.gz XGMWBTQYPMJSCX-FIQHERPVSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@H](C(=O)N(C)C)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000380839562 347399028 /nfs/dbraw/zinc/39/90/28/347399028.db2.gz TUYSVJWNQXZICN-MXWKQRLJSA-N 2 0 225.336 0.004 20 0 BCADRP C[C@@H](CNC(=O)C[NH2+]C1CC1)[NH+]1CCCC1 ZINC000161086794 323146046 /nfs/dbraw/zinc/14/60/46/323146046.db2.gz VUTYRZXEJMNPKB-JTQLQIEISA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000577222087 365889103 /nfs/dbraw/zinc/88/91/03/365889103.db2.gz DRHOVVLZKQJHAN-DOLQZWNJSA-N 2 0 213.325 0.165 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000390638395 259396417 /nfs/dbraw/zinc/39/64/17/259396417.db2.gz MHNNQBSOKFTUEP-QNSHHTMESA-N 2 0 213.325 0.213 20 0 BCADRP C[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616995473 347572199 /nfs/dbraw/zinc/57/21/99/347572199.db2.gz RZXNXXOUTQSFRK-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000571641038 323150552 /nfs/dbraw/zinc/15/05/52/323150552.db2.gz YUQUSJFBTRAZQR-UTLUCORTSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H](CNC(=O)CCCC[NH+](C)C)[NH+](C)C ZINC000591429791 347655306 /nfs/dbraw/zinc/65/53/06/347655306.db2.gz LTRQCJQMWKRNFK-LLVKDONJSA-N 2 0 229.368 0.785 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000591423095 347657543 /nfs/dbraw/zinc/65/75/43/347657543.db2.gz CRGSVPJXVNDYTD-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000591423105 347657823 /nfs/dbraw/zinc/65/78/23/347657823.db2.gz CRGSVPJXVNDYTD-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333390280 537991822 /nfs/dbraw/zinc/99/18/22/537991822.db2.gz OSKFXMYUQHZAJA-MNOVXSKESA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C1CC1 ZINC000591456798 347665114 /nfs/dbraw/zinc/66/51/14/347665114.db2.gz YGECWXNEVFFUGQ-QWRGUYRKSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449518414 201948461 /nfs/dbraw/zinc/94/84/61/201948461.db2.gz JOJMOHRSJZHIRM-VWYCJHECSA-N 2 0 227.352 0.618 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)[NH3+] ZINC000041680095 347799144 /nfs/dbraw/zinc/79/91/44/347799144.db2.gz ULNXCUDPGFQXMN-BDAKNGLRSA-N 2 0 201.314 0.180 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000592488204 347787009 /nfs/dbraw/zinc/78/70/09/347787009.db2.gz HDRGHKLSJQHYBE-GHMZBOCLSA-N 2 0 228.336 0.999 20 0 BCADRP CCn1ccnc1/C=C/C(=O)N[C@H](C)CC[NH3+] ZINC000493400135 347791377 /nfs/dbraw/zinc/79/13/77/347791377.db2.gz IVXVEFCUCUTRAS-ORAHPGNNSA-N 2 0 236.319 0.770 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH3+])C1 ZINC000070203085 349977124 /nfs/dbraw/zinc/97/71/24/349977124.db2.gz DHKDDOIMUKVLLN-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP [NH3+]CCCC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000577372649 365936555 /nfs/dbraw/zinc/93/65/55/365936555.db2.gz JHLUCNKBYMKGAM-VHSXEESVSA-N 2 0 213.325 0.359 20 0 BCADRP [NH3+]CCCC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000577372650 365936612 /nfs/dbraw/zinc/93/66/12/365936612.db2.gz JHLUCNKBYMKGAM-ZJUUUORDSA-N 2 0 213.325 0.359 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)c2coc(C[NH3+])c2)CC[NH2+]1 ZINC000577394194 365938626 /nfs/dbraw/zinc/93/86/26/365938626.db2.gz UJJKBRSYINHZJW-WPRPVWTQSA-N 2 0 237.303 0.609 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC[NH+](C)C ZINC000083362640 179324214 /nfs/dbraw/zinc/32/42/14/179324214.db2.gz TUKOEMYVQCIEBX-GFCCVEGCSA-N 2 0 235.331 0.673 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000295154381 179343332 /nfs/dbraw/zinc/34/33/32/179343332.db2.gz JVABLRKQXVREQM-STQMWFEESA-N 2 0 247.342 0.848 20 0 BCADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCC[NH+](C)C ZINC000594920698 348155203 /nfs/dbraw/zinc/15/52/03/348155203.db2.gz HHGBHLGVLBTNMV-HBNTYKKESA-N 2 0 228.336 0.725 20 0 BCADRP CC[C@@](C)(C[NH2+]CC1(O)CC[NH+](C)CC1)OC ZINC000397552340 362893091 /nfs/dbraw/zinc/89/30/91/362893091.db2.gz YDTQFNBOZKFBJX-LBPRGKRZSA-N 2 0 244.379 0.848 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC000595939130 348409722 /nfs/dbraw/zinc/40/97/22/348409722.db2.gz FACYNVYJYNZCMH-NXEZZACHSA-N 2 0 247.408 0.523 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC000595944492 348410993 /nfs/dbraw/zinc/41/09/93/348410993.db2.gz ZCIVOMDBTZVKJH-INWMGODYSA-N 2 0 243.376 0.017 20 0 BCADRP CNC(=O)CCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000398413341 323185618 /nfs/dbraw/zinc/18/56/18/323185618.db2.gz UQVBTJXVMUENSV-QWRGUYRKSA-N 2 0 227.352 0.633 20 0 BCADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC3CC=CC3)CCN2C1=O ZINC000595902602 348395345 /nfs/dbraw/zinc/39/53/45/348395345.db2.gz AMQQPYKSBQYVME-VXGBXAGGSA-N 2 0 235.331 0.196 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000070304863 349987855 /nfs/dbraw/zinc/98/78/55/349987855.db2.gz UTNOGYNEZKJHPZ-CYBMUJFWSA-N 2 0 247.342 0.551 20 0 BCADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]C2)[C@H]1C ZINC000596649015 348605419 /nfs/dbraw/zinc/60/54/19/348605419.db2.gz XDIDNJGTCLNWHS-FIQHERPVSA-N 2 0 240.347 0.916 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000054076252 348879386 /nfs/dbraw/zinc/87/93/86/348879386.db2.gz ACGLJDIFJQRVCJ-WDEREUQCSA-N 2 0 229.368 0.687 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000054076981 348879797 /nfs/dbraw/zinc/87/97/97/348879797.db2.gz CVDKKFJHOJJEMN-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000308892770 349054572 /nfs/dbraw/zinc/05/45/72/349054572.db2.gz YJDNUXXPHFQHNM-IUCAKERBSA-N 2 0 201.314 0.086 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000054343498 349007171 /nfs/dbraw/zinc/00/71/71/349007171.db2.gz GWSAVCUXGLBVDN-LLVKDONJSA-N 2 0 227.352 0.573 20 0 BCADRP COCCC[N@H+](C)CCNC(=O)[C@H](C)[NH+](C)C ZINC000078750519 490226368 /nfs/dbraw/zinc/22/63/68/490226368.db2.gz PTRRBQVEVQTJPT-NSHDSACASA-N 2 0 245.367 0.021 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000599297165 349150373 /nfs/dbraw/zinc/15/03/73/349150373.db2.gz OSOHEYZPBNUFHV-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000599301099 349141256 /nfs/dbraw/zinc/14/12/56/349141256.db2.gz GFJNWBDTMKORIA-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH2+]C)C1 ZINC000250340508 349169625 /nfs/dbraw/zinc/16/96/25/349169625.db2.gz PRYYJHYAMLSLIS-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP CN1CCN(C)[C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000250400881 349170788 /nfs/dbraw/zinc/17/07/88/349170788.db2.gz SKLUKIFSVJSGGH-RWMBFGLXSA-N 2 0 240.395 0.092 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000252222771 349198861 /nfs/dbraw/zinc/19/88/61/349198861.db2.gz ZMOCDAXUAVMZRA-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000252598877 349201127 /nfs/dbraw/zinc/20/11/27/349201127.db2.gz KGDFTQXJXFQISV-QJPTWQEYSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(=O)N1CCCC1 ZINC000252796576 349207348 /nfs/dbraw/zinc/20/73/48/349207348.db2.gz GPMOZDLJBCHXBS-SDDRHHMPSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422536578 192424059 /nfs/dbraw/zinc/42/40/59/192424059.db2.gz FPNZXBRNDVETDY-RCWTZXSCSA-N 2 0 227.352 0.556 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC(C)(C)CC[NH3+] ZINC000422539047 192424092 /nfs/dbraw/zinc/42/40/92/192424092.db2.gz JGXBTUVAYZIQCP-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC(C)(C)CC[NH3+] ZINC000422539049 192425012 /nfs/dbraw/zinc/42/50/12/192425012.db2.gz JGXBTUVAYZIQCP-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)CC[NH2+]C1CC1 ZINC000061645133 349375813 /nfs/dbraw/zinc/37/58/13/349375813.db2.gz UJUMXWZJUPNLRC-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NC(C)(C)CC[NH3+] ZINC000422604283 192429138 /nfs/dbraw/zinc/42/91/38/192429138.db2.gz BLBAERXMIJLROP-SECBINFHSA-N 2 0 230.356 0.396 20 0 BCADRP C[N@H+](CCNC(=O)[C@]1(C)CCC[NH2+]1)C1CC1 ZINC000070619342 350029500 /nfs/dbraw/zinc/02/95/00/350029500.db2.gz CBSHRYJAPUDERY-LBPRGKRZSA-N 2 0 225.336 0.339 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCCC[NH2+]C ZINC000309119915 350036692 /nfs/dbraw/zinc/03/66/92/350036692.db2.gz NEFOZAUPGVPKOQ-JTQLQIEISA-N 2 0 201.314 0.230 20 0 BCADRP N#Cc1ccccc1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397012958 350043122 /nfs/dbraw/zinc/04/31/22/350043122.db2.gz FORBOIFBTYCKOG-UHFFFAOYSA-N 2 0 245.326 0.844 20 0 BCADRP C[NH2+]C[C@H]1CCN(CC(=O)N2CCCC2)C1 ZINC000070799895 350061036 /nfs/dbraw/zinc/06/10/36/350061036.db2.gz RLSLUFRXIKUFDK-LLVKDONJSA-N 2 0 225.336 0.150 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)NCC1([NH3+])CCC1 ZINC000422611505 192430461 /nfs/dbraw/zinc/43/04/61/192430461.db2.gz SKENMGPKECQPMX-UHFFFAOYSA-N 2 0 228.340 0.294 20 0 BCADRP [NH3+]CCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071401079 350105453 /nfs/dbraw/zinc/10/54/53/350105453.db2.gz CLPXRXWUOZRBPJ-LLVKDONJSA-N 2 0 221.304 0.542 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000218944458 350107985 /nfs/dbraw/zinc/10/79/85/350107985.db2.gz ARIPYODQBORHGL-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]CCN1CCOC[C@@H]1C ZINC000422714136 192438955 /nfs/dbraw/zinc/43/89/55/192438955.db2.gz KRFDQXPTXHAIID-OLZOCXBDSA-N 2 0 243.395 0.814 20 0 BCADRP CCC[C@@H](C(=O)N[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000422728511 192444568 /nfs/dbraw/zinc/44/45/68/192444568.db2.gz JESOFHNZHHQDMH-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP CC[NH+](CC)C[C@@H](C)N[C@H](C)C1C[NH2+]C1 ZINC000422723215 192442171 /nfs/dbraw/zinc/44/21/71/192442171.db2.gz ZZZPLRGTSQVCHM-GHMZBOCLSA-N 2 0 213.369 0.914 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H](C)[NH3+] ZINC000422725556 192443296 /nfs/dbraw/zinc/44/32/96/192443296.db2.gz BVEPDLDKKSXMDC-MXWKQRLJSA-N 2 0 227.352 0.474 20 0 BCADRP [NH3+]CC[C@H](NC(=O)C1([NH3+])CCCCC1)C(F)F ZINC000449608895 201986358 /nfs/dbraw/zinc/98/63/58/201986358.db2.gz LDWOJLJLWKCGKH-QMMMGPOBSA-N 2 0 249.305 0.747 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236721454 191060594 /nfs/dbraw/zinc/06/05/94/191060594.db2.gz GEMXMSIMORSQGY-ZJUUUORDSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C)C[C@@H]1C ZINC000230191477 490388291 /nfs/dbraw/zinc/38/82/91/490388291.db2.gz XIUJSVBFFLOZJB-GARJFASQSA-N 2 0 225.336 0.147 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)[C@@H]1CC[NH3+] ZINC000653232742 490393463 /nfs/dbraw/zinc/39/34/63/490393463.db2.gz IMGGFMGIQBJLFU-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000309258611 350243307 /nfs/dbraw/zinc/24/33/07/350243307.db2.gz HFMBSBZRWGMXDJ-VHSXEESVSA-N 2 0 213.325 0.086 20 0 BCADRP CC[N@H+](CCNC(=O)C[C@H]1CC[NH2+]C1)C1CC1 ZINC000130658803 490434922 /nfs/dbraw/zinc/43/49/22/490434922.db2.gz FXVPVOIDUAAKIA-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)CC[NH3+] ZINC000309101792 323317575 /nfs/dbraw/zinc/31/75/75/323317575.db2.gz GDMYIIRUHUAQBE-WCBMZHEXSA-N 2 0 201.314 0.357 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000309303514 350276215 /nfs/dbraw/zinc/27/62/15/350276215.db2.gz UUAOILRZBOSUNN-NXEZZACHSA-N 2 0 213.325 0.086 20 0 BCADRP Cc1ncn(C[C@H](O)CN2CCOCC2)c1C ZINC000304009235 180287624 /nfs/dbraw/zinc/28/76/24/180287624.db2.gz DYMBEYSWHGYSRL-GFCCVEGCSA-N 2 0 239.319 0.193 20 0 BCADRP CC[NH+]1CCC(NC(=O)C[NH2+]C2CC2)CC1 ZINC000037978603 350297432 /nfs/dbraw/zinc/29/74/32/350297432.db2.gz HFHXPDQOXXQJII-UHFFFAOYSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H](CNC(=O)[C@H](C)[NH3+])C[NH+]1CCCCC1 ZINC000038042250 350302462 /nfs/dbraw/zinc/30/24/62/350302462.db2.gz BPDNUWKNWMDMCA-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000606344810 350314884 /nfs/dbraw/zinc/31/48/84/350314884.db2.gz IABRUKIRVWUYFN-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000606371685 350318868 /nfs/dbraw/zinc/31/88/68/350318868.db2.gz PHQXCNNPIPQJRZ-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000309395565 350367546 /nfs/dbraw/zinc/36/75/46/350367546.db2.gz GNVWMHMPTFNPOZ-BBBLOLIVSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050464953 350343660 /nfs/dbraw/zinc/34/36/60/350343660.db2.gz MJDKMTNFULFFGH-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP CCC[NH+]1CCC([NH2+]C[C@@H](O)COCC)CC1 ZINC000069278104 350352120 /nfs/dbraw/zinc/35/21/20/350352120.db2.gz FKACAMMWYGGVFZ-CYBMUJFWSA-N 2 0 244.379 0.848 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000580783379 350353780 /nfs/dbraw/zinc/35/37/80/350353780.db2.gz IKDWKPHRFLABGU-JQWIXIFHSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC2CC[NH2+]CC2)C1 ZINC000563945772 323330163 /nfs/dbraw/zinc/33/01/63/323330163.db2.gz NQPDUXFCDVNVBZ-ZYHUDNBSSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000309374113 350362054 /nfs/dbraw/zinc/36/20/54/350362054.db2.gz CLAIRBCCZXSPOU-VHSXEESVSA-N 2 0 213.325 0.311 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000309405638 350371710 /nfs/dbraw/zinc/37/17/10/350371710.db2.gz HXNIJERCCPDIQK-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000309412109 350372204 /nfs/dbraw/zinc/37/22/04/350372204.db2.gz IRCVHHXVKUNPPO-UWVGGRQHSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC[NH2+]C1CC1 ZINC000637339606 350465596 /nfs/dbraw/zinc/46/55/96/350465596.db2.gz KRAAQNSBPQUUGX-MWLCHTKSSA-N 2 0 240.351 0.036 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCC[NH2+]C1CC1 ZINC000637340009 350465968 /nfs/dbraw/zinc/46/59/68/350465968.db2.gz NMPDGDKOMBCEHI-VHSXEESVSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648181083 490563013 /nfs/dbraw/zinc/56/30/13/490563013.db2.gz ZAQSOCMEGLQQAG-NXEZZACHSA-N 2 0 225.336 0.515 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000577489303 365966583 /nfs/dbraw/zinc/96/65/83/365966583.db2.gz PWZKPQLNOSNMTJ-MNOVXSKESA-N 2 0 241.379 0.879 20 0 BCADRP CC(C)C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)[NH+](C)C ZINC000384776280 350521689 /nfs/dbraw/zinc/52/16/89/350521689.db2.gz INQKUESJKMCVCU-WDEREUQCSA-N 2 0 227.352 0.441 20 0 BCADRP CC[N@H+](CCNC(=O)[C@]1(C)CCC[NH2+]1)C(C)C ZINC000577496037 365969761 /nfs/dbraw/zinc/96/97/61/365969761.db2.gz JHEIZBWYNRGXKV-ZDUSSCGKSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH2+]C1CC1 ZINC000577495561 365969949 /nfs/dbraw/zinc/96/99/49/365969949.db2.gz ZTDCDNLQSPRIGA-VXGBXAGGSA-N 2 0 239.363 0.633 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418400683 323391963 /nfs/dbraw/zinc/39/19/63/323391963.db2.gz MPUILDUHBICLTB-SNVBAGLBSA-N 2 0 242.367 0.350 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)c1coc(C[NH3+])c1 ZINC000309475673 350563521 /nfs/dbraw/zinc/56/35/21/350563521.db2.gz RXUQTLBHZIPERI-ZETCQYMHSA-N 2 0 211.265 0.205 20 0 BCADRP CC[NH+]1CCC(N[C@@H](C)C(=O)NCCF)CC1 ZINC000337420194 350584536 /nfs/dbraw/zinc/58/45/36/350584536.db2.gz FKNFYAPVYJVGRO-JTQLQIEISA-N 2 0 245.342 0.535 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000080993518 490667957 /nfs/dbraw/zinc/66/79/57/490667957.db2.gz YVDANPJWJZASCM-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC(C[NH3+])CC1 ZINC000309506568 350678684 /nfs/dbraw/zinc/67/86/84/350678684.db2.gz VZRYRRAKHWNEPW-RKDXNWHRSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000309513917 350693898 /nfs/dbraw/zinc/69/38/98/350693898.db2.gz YBZQONUKWTVIOY-UTLUCORTSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@@H]1C[C@@H](NC[C@@H](O)C[NH+](C)C)C[N@@H+]1C1CC1 ZINC000346696404 365991993 /nfs/dbraw/zinc/99/19/93/365991993.db2.gz PGVYGTSNTFPTHN-NQBHXWOUSA-N 2 0 241.379 0.124 20 0 BCADRP [NH3+]CC1(CC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000564075800 323425222 /nfs/dbraw/zinc/42/52/22/323425222.db2.gz TUPZCIFNPJBRHG-WDEREUQCSA-N 2 0 239.363 0.749 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000577608209 366016015 /nfs/dbraw/zinc/01/60/15/366016015.db2.gz ZGGUAHJFZAASGR-GHMZBOCLSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@@H](CNC(=O)CC[NH2+]C1CC1)[NH+]1CCCC1 ZINC000161075653 351026135 /nfs/dbraw/zinc/02/61/35/351026135.db2.gz DCRVRAXUKCYFPE-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP COc1cccc([C@H]2C[NH2+]CCN2CC[NH3+])c1 ZINC000616636954 351130361 /nfs/dbraw/zinc/13/03/61/351130361.db2.gz RLAGETFEBCQTGJ-CYBMUJFWSA-N 2 0 235.331 0.600 20 0 BCADRP [NH3+]CCN1CC[NH2+]C[C@@H]1c1ccccc1F ZINC000616636923 351130606 /nfs/dbraw/zinc/13/06/06/351130606.db2.gz RFAFEOOMRUBJKI-GFCCVEGCSA-N 2 0 223.295 0.731 20 0 BCADRP CN(C(=O)C1([NH3+])CCC1)C1CC[NH+](C)CC1 ZINC000088050064 351531765 /nfs/dbraw/zinc/53/17/65/351531765.db2.gz LLMDVPGOEYHJOG-UHFFFAOYSA-N 2 0 225.336 0.420 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N(CC)CC[NH3+] ZINC000626966799 363066198 /nfs/dbraw/zinc/06/61/98/363066198.db2.gz ZRWGEKFHCSLZQQ-LLVKDONJSA-N 2 0 244.383 0.707 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000577637037 366028212 /nfs/dbraw/zinc/02/82/12/366028212.db2.gz GOUAWTHSDBZGHT-WRWGMCAJSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@H+](C)C1CC1 ZINC000626975734 363074273 /nfs/dbraw/zinc/07/42/73/363074273.db2.gz CMZZYCLIMSJWDU-GXSJLCMTSA-N 2 0 240.351 0.130 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000637801917 351633643 /nfs/dbraw/zinc/63/36/43/351633643.db2.gz JNHZMUZFCGCTTI-ZJUUUORDSA-N 2 0 213.325 0.310 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]C)C2)CC[N@@H+]1C ZINC000637802806 351638051 /nfs/dbraw/zinc/63/80/51/351638051.db2.gz UZLPIKFDLKXWEA-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP O=C(CCC1C[NH2+]C1)NC[C@H]1CCCC[NH2+]1 ZINC000637817391 351661612 /nfs/dbraw/zinc/66/16/12/351661612.db2.gz VSGPXOZYXZHTEJ-LLVKDONJSA-N 2 0 225.336 0.244 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC000637804478 351641181 /nfs/dbraw/zinc/64/11/81/351641181.db2.gz PKROVXRRBJBCNA-LBPRGKRZSA-N 2 0 241.379 0.947 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000637806612 351644016 /nfs/dbraw/zinc/64/40/16/351644016.db2.gz YXZXSHAHYXTCAY-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N(C2CC2)C2CC[NH2+]CC2)C1 ZINC000637807451 351644759 /nfs/dbraw/zinc/64/47/59/351644759.db2.gz XKOKXGNZWUJGFZ-NSHDSACASA-N 2 0 249.358 0.777 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637817641 351662737 /nfs/dbraw/zinc/66/27/37/351662737.db2.gz XXGHFSUQDOVEKD-WDEREUQCSA-N 2 0 223.320 0.374 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)C12CCC[NH+](CCC1)C2 ZINC000637811423 351652806 /nfs/dbraw/zinc/65/28/06/351652806.db2.gz KZZNLWYXJPCVRM-LLVKDONJSA-N 2 0 237.347 0.341 20 0 BCADRP C[NH+](C)CC1(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000637814876 351653703 /nfs/dbraw/zinc/65/37/03/351653703.db2.gz BMDBYIWUORGKGZ-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000637815877 351654729 /nfs/dbraw/zinc/65/47/29/351654729.db2.gz CPULMIWFXBUAPH-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC000637817096 351659091 /nfs/dbraw/zinc/65/90/91/351659091.db2.gz POLABZDAGPITNX-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP [NH3+]CCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000637796978 351623540 /nfs/dbraw/zinc/62/35/40/351623540.db2.gz FVDZKIPLKWPCBY-CYBMUJFWSA-N 2 0 247.342 0.583 20 0 BCADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000637796941 351623901 /nfs/dbraw/zinc/62/39/01/351623901.db2.gz DKVMQKCWYSXRLZ-SNVBAGLBSA-N 2 0 225.336 0.278 20 0 BCADRP CC[C@H](C(=O)NC(C)(C)C[NH3+])[NH+](C)C ZINC000637828912 351677282 /nfs/dbraw/zinc/67/72/82/351677282.db2.gz ITQOOHKEEQEVQM-MRVPVSSYSA-N 2 0 201.314 0.180 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000637829850 351679054 /nfs/dbraw/zinc/67/90/54/351679054.db2.gz QDRLIMJQQPMPLW-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CCCC[C@H]1C[NH3+])[NH+](C)C ZINC000637850748 351707999 /nfs/dbraw/zinc/70/79/99/351707999.db2.gz CAOWZOSJFCGXCJ-SDDRHHMPSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000637836141 351687235 /nfs/dbraw/zinc/68/72/35/351687235.db2.gz SNZHTIPVEMPQMC-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H]1CN(C(=O)CCC2C[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000637838930 351688765 /nfs/dbraw/zinc/68/87/65/351688765.db2.gz CTZLWFMYXSCTLM-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP CN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000637837887 351692196 /nfs/dbraw/zinc/69/21/96/351692196.db2.gz OCZCIMRIEHUHJJ-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@H]([NH3+])CCC(C)C)CC1 ZINC000637838024 351692872 /nfs/dbraw/zinc/69/28/72/351692872.db2.gz OVYYASSLNLXWDD-GFCCVEGCSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000637840461 351695841 /nfs/dbraw/zinc/69/58/41/351695841.db2.gz JCBZRXBRAYCVTP-MNOVXSKESA-N 2 0 225.336 0.291 20 0 BCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H](C)[NH2+]1 ZINC000637841555 351697249 /nfs/dbraw/zinc/69/72/49/351697249.db2.gz SXXSTAJWGXFSRI-PHIMTYICSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H](C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000637845245 351700792 /nfs/dbraw/zinc/70/07/92/351700792.db2.gz AJEDMYYOKZYEPU-AXFHLTTASA-N 2 0 227.352 0.522 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)CCC1C[NH2+]C1)C1CC1 ZINC000637842864 351701683 /nfs/dbraw/zinc/70/16/83/351701683.db2.gz SYXBSZFHAWXNSU-LBPRGKRZSA-N 2 0 225.336 0.230 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000637843623 351702410 /nfs/dbraw/zinc/70/24/10/351702410.db2.gz FOCUKMJHRHARQB-VHSXEESVSA-N 2 0 215.341 0.474 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000637843624 351702504 /nfs/dbraw/zinc/70/25/04/351702504.db2.gz FOCUKMJHRHARQB-ZJUUUORDSA-N 2 0 215.341 0.474 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000637847747 351703946 /nfs/dbraw/zinc/70/39/46/351703946.db2.gz CLAKEUVVXSGXPF-MNOVXSKESA-N 2 0 227.352 0.428 20 0 BCADRP COC[C@H](C)C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000577708941 366041399 /nfs/dbraw/zinc/04/13/99/366041399.db2.gz KRZAVZZGXQIVCQ-VWYCJHECSA-N 2 0 200.326 0.999 20 0 BCADRP C[C@H](C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])[NH+](C)C ZINC000637846123 351704337 /nfs/dbraw/zinc/70/43/37/351704337.db2.gz FFFJRWMUBVUHDJ-GMTAPVOTSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H](C(=O)N[C@H](C[NH3+])C1CCCCC1)[NH+](C)C ZINC000637845873 351704670 /nfs/dbraw/zinc/70/46/70/351704670.db2.gz SQYKBZUHPWWUGB-ZYHUDNBSSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000637847037 351705083 /nfs/dbraw/zinc/70/50/83/351705083.db2.gz FMUSEFXTIRHGCU-HBNTYKKESA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000637847036 351705141 /nfs/dbraw/zinc/70/51/41/351705141.db2.gz FMUSEFXTIRHGCU-GMTAPVOTSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000637847427 351705255 /nfs/dbraw/zinc/70/52/55/351705255.db2.gz ABHJHEOLODYORG-CMPLNLGQSA-N 2 0 229.368 0.864 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000577720082 366042114 /nfs/dbraw/zinc/04/21/14/366042114.db2.gz XVIIIANAQISBSX-CHWFTXMASA-N 2 0 227.352 0.556 20 0 BCADRP C[NH2+]CCNC(=O)[C@H]([NH3+])c1cccc(OC)c1 ZINC000637825291 351665888 /nfs/dbraw/zinc/66/58/88/351665888.db2.gz YNEQEKKKYKMQQY-LLVKDONJSA-N 2 0 237.303 0.031 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@H]1CC ZINC000637826171 351672393 /nfs/dbraw/zinc/67/23/93/351672393.db2.gz KJJQXSZXGSTAOJ-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]CCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC000637826747 351674269 /nfs/dbraw/zinc/67/42/69/351674269.db2.gz XXZHJNGUVJOPMD-UHFFFAOYSA-N 2 0 249.358 0.497 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H](C)[NH+](C)C ZINC000637859139 351716226 /nfs/dbraw/zinc/71/62/26/351716226.db2.gz SZZBVRWBDBBENO-SECBINFHSA-N 2 0 215.341 0.570 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CCC1C[NH2+]C1 ZINC000637853911 351716497 /nfs/dbraw/zinc/71/64/97/351716497.db2.gz SXAJZPDUGQMTKL-NEPJUHHUSA-N 2 0 239.363 0.620 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000637859588 351717713 /nfs/dbraw/zinc/71/77/13/351717713.db2.gz ZXTPFHGISNPUJH-JTQLQIEISA-N 2 0 225.336 0.668 20 0 BCADRP C[C@H](C(=O)N1CC[NH2+]CC1(C)C)[NH+](C)C ZINC000637857481 351718123 /nfs/dbraw/zinc/71/81/23/351718123.db2.gz QHCGJEIHCWIVDV-SECBINFHSA-N 2 0 213.325 0.147 20 0 BCADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2OCC[C@@H]2[NH3+])cc1 ZINC000637857993 351718523 /nfs/dbraw/zinc/71/85/23/351718523.db2.gz WBSAOBOYBAZUHW-KPXOXKRLSA-N 2 0 249.314 0.761 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637862003 351722946 /nfs/dbraw/zinc/72/29/46/351722946.db2.gz MDWFXTNDBBFPML-VXGBXAGGSA-N 2 0 239.363 0.866 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000637865933 351725594 /nfs/dbraw/zinc/72/55/94/351725594.db2.gz GMNGBNPVACGYNH-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1[NH3+] ZINC000637848208 351708302 /nfs/dbraw/zinc/70/83/02/351708302.db2.gz NHBFUXZAJAKTTP-MNOVXSKESA-N 2 0 239.363 0.524 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000637851141 351709727 /nfs/dbraw/zinc/70/97/27/351709727.db2.gz YXSZVKSZFGPGTG-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637852487 351710965 /nfs/dbraw/zinc/71/09/65/351710965.db2.gz WDUCIXRQCAHMRU-PWSUYJOCSA-N 2 0 225.336 0.524 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N(C)CCC[NH3+] ZINC000637852677 351712487 /nfs/dbraw/zinc/71/24/87/351712487.db2.gz GTEYZFTZLDPEDX-UHFFFAOYSA-N 2 0 225.292 0.468 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000637854861 351713815 /nfs/dbraw/zinc/71/38/15/351713815.db2.gz GWUBKJJAQVYVOQ-QWRGUYRKSA-N 2 0 225.336 0.324 20 0 BCADRP CN(CCC[NH3+])C(=O)C12CCC[NH+](CCC1)C2 ZINC000637854842 351713827 /nfs/dbraw/zinc/71/38/27/351713827.db2.gz MFLHOJCPUXSJAY-UHFFFAOYSA-N 2 0 239.363 0.670 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000637854859 351714319 /nfs/dbraw/zinc/71/43/19/351714319.db2.gz GWUBKJJAQVYVOQ-MNOVXSKESA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000637855851 351715452 /nfs/dbraw/zinc/71/54/52/351715452.db2.gz ZDLVQJSVXTZBOE-MNOVXSKESA-N 2 0 227.352 0.603 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023889 358466807 /nfs/dbraw/zinc/46/68/07/358466807.db2.gz BOLWRWIITSUELP-QJPTWQEYSA-N 2 0 239.363 0.857 20 0 BCADRP CO[C@@]1(C[NH+]2CCC([NH+](C)C)CC2)CCOC1 ZINC000637928007 351803398 /nfs/dbraw/zinc/80/33/98/351803398.db2.gz SBECTMXDIVRIAM-CYBMUJFWSA-N 2 0 242.363 0.818 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)CC[NH3+] ZINC000577847409 366081616 /nfs/dbraw/zinc/08/16/16/366081616.db2.gz NELCXGVXVVPYQX-CIUDSAMLSA-N 2 0 216.329 0.149 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000340081196 351882831 /nfs/dbraw/zinc/88/28/31/351882831.db2.gz BUXUIHIOXRHCOZ-QJPTWQEYSA-N 2 0 241.379 0.995 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@H]1CCC[C@@H]1[NH3+] ZINC000340081113 351882844 /nfs/dbraw/zinc/88/28/44/351882844.db2.gz ABUXCAFZVOMVGU-OUAUKWLOSA-N 2 0 227.352 0.603 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638075598 351947488 /nfs/dbraw/zinc/94/74/88/351947488.db2.gz FUGQJVIWTQUOCB-JQWIXIFHSA-N 2 0 239.363 0.880 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638075601 351947680 /nfs/dbraw/zinc/94/76/80/351947680.db2.gz FUGQJVIWTQUOCB-PWSUYJOCSA-N 2 0 239.363 0.880 20 0 BCADRP CC[NH+](CC)CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638045927 351925387 /nfs/dbraw/zinc/92/53/87/351925387.db2.gz BSURXWSHWXWHIR-LLVKDONJSA-N 2 0 225.336 0.492 20 0 BCADRP C[C@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)Cn1ccnc1 ZINC000638075728 351947950 /nfs/dbraw/zinc/94/79/50/351947950.db2.gz HCXUINIJOKTLJL-ZYHUDNBSSA-N 2 0 248.330 0.683 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000638060394 351933095 /nfs/dbraw/zinc/93/30/95/351933095.db2.gz USARXAOVQUNSFO-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638060445 351933634 /nfs/dbraw/zinc/93/36/34/351933634.db2.gz VZMWORVSENZJNM-LBPRGKRZSA-N 2 0 237.347 0.587 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000638072837 351942227 /nfs/dbraw/zinc/94/22/27/351942227.db2.gz PZEKDWWTVRQBJO-PWSUYJOCSA-N 2 0 249.358 0.634 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000638070703 351942481 /nfs/dbraw/zinc/94/24/81/351942481.db2.gz VFGURGLCWAHFQP-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638071261 351943382 /nfs/dbraw/zinc/94/33/82/351943382.db2.gz BBWYHTIAXCBYAG-JQWIXIFHSA-N 2 0 237.347 0.492 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000638071503 351943679 /nfs/dbraw/zinc/94/36/79/351943679.db2.gz FXDNITDMKBGWHW-AGIUHOORSA-N 2 0 249.358 0.777 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000638072836 351944944 /nfs/dbraw/zinc/94/49/44/351944944.db2.gz PZEKDWWTVRQBJO-JQWIXIFHSA-N 2 0 249.358 0.634 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000638073910 351946231 /nfs/dbraw/zinc/94/62/31/351946231.db2.gz HIKWMIGDLJYUSF-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000638144928 352007450 /nfs/dbraw/zinc/00/74/50/352007450.db2.gz PQAYMOXSVCUVJF-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638147596 352008947 /nfs/dbraw/zinc/00/89/47/352008947.db2.gz WOWZXNVODQWFOR-SRVKXCTJSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH+](C)C ZINC000377745726 187564624 /nfs/dbraw/zinc/56/46/24/187564624.db2.gz BDMBPFNGMXYHIE-RYUDHWBXSA-N 2 0 241.379 0.688 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638076333 351949366 /nfs/dbraw/zinc/94/93/66/351949366.db2.gz KKWDNYZVQARALJ-QWRGUYRKSA-N 2 0 223.320 0.244 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000638148782 352010510 /nfs/dbraw/zinc/01/05/10/352010510.db2.gz OSJFNLZLGAHCKZ-OPRDCNLKSA-N 2 0 213.325 0.180 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@H](C)[NH+](C)C ZINC000638080231 351953826 /nfs/dbraw/zinc/95/38/26/351953826.db2.gz MYVHYGXIYQYAMO-IUCAKERBSA-N 2 0 201.314 0.051 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000638081129 351954567 /nfs/dbraw/zinc/95/45/67/351954567.db2.gz VBTPMQBDDYFRQJ-MNOVXSKESA-N 2 0 229.368 0.816 20 0 BCADRP CC(C)C[C@H](CNC(=O)C1([NH3+])CC1)[NH+](C)C ZINC000083835359 351956801 /nfs/dbraw/zinc/95/68/01/351956801.db2.gz UKCMRHXLVNUDAE-SNVBAGLBSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638086336 351963672 /nfs/dbraw/zinc/96/36/72/351963672.db2.gz XZPWWACZMQXIMZ-KOLCDFICSA-N 2 0 225.336 0.490 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H](C)[NH2+]CC ZINC000638089896 351967298 /nfs/dbraw/zinc/96/72/98/351967298.db2.gz UCNAGSNGPYWMBN-LLVKDONJSA-N 2 0 229.368 0.833 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000638090887 351968179 /nfs/dbraw/zinc/96/81/79/351968179.db2.gz INFANLWUBNSMLS-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000638096611 351976807 /nfs/dbraw/zinc/97/68/07/351976807.db2.gz KNWUKDUCDNVEEA-MNOVXSKESA-N 2 0 229.368 0.831 20 0 BCADRP C[C@@H](CNC(=O)C1=CC[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000638099160 351978519 /nfs/dbraw/zinc/97/85/19/351978519.db2.gz ACSAPZCAICMDAV-ONGXEEELSA-N 2 0 237.347 0.633 20 0 BCADRP C[C@H](CNC(=O)C1=CC[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000638099158 351978986 /nfs/dbraw/zinc/97/89/86/351978986.db2.gz ACSAPZCAICMDAV-KOLCDFICSA-N 2 0 237.347 0.633 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638097922 351979103 /nfs/dbraw/zinc/97/91/03/351979103.db2.gz XQMABIKMCLYDIK-NEPJUHHUSA-N 2 0 237.347 0.587 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000638102440 351981733 /nfs/dbraw/zinc/98/17/33/351981733.db2.gz UYTBKWRDMXADSJ-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638149975 352013748 /nfs/dbraw/zinc/01/37/48/352013748.db2.gz UUOAKYHSCWBURN-YWVKMMECSA-N 2 0 223.320 0.230 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638134475 352002477 /nfs/dbraw/zinc/00/24/77/352002477.db2.gz NODKZHRWUAEHRF-CDMKHQONSA-N 2 0 249.358 0.633 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH2+]CC ZINC000638212832 352074441 /nfs/dbraw/zinc/07/44/41/352074441.db2.gz NJUVYKOBSBJZSM-RKDXNWHRSA-N 2 0 201.314 0.099 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000638176100 352041886 /nfs/dbraw/zinc/04/18/86/352041886.db2.gz CCIFVONQJMGKIT-GRYCIOLGSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@H]([NH3+])CNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638212278 352074671 /nfs/dbraw/zinc/07/46/71/352074671.db2.gz WNWUCEGSBQWSBW-JTQLQIEISA-N 2 0 247.342 0.338 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000638179130 352046164 /nfs/dbraw/zinc/04/61/64/352046164.db2.gz QBIRTHZEJXEDBX-IVZWLZJFSA-N 2 0 213.325 0.099 20 0 BCADRP CO[C@](C)(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000638186364 352052656 /nfs/dbraw/zinc/05/26/56/352052656.db2.gz ROHWYWVASVZSBL-NQBHXWOUSA-N 2 0 224.348 0.953 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638201030 352060825 /nfs/dbraw/zinc/06/08/25/352060825.db2.gz AASJVASLUQEWRC-UTUOFQBUSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[NH+](C)C ZINC000638200538 352060999 /nfs/dbraw/zinc/06/09/99/352060999.db2.gz RDTJTLJIZMDPGV-KXUCPTDWSA-N 2 0 213.325 0.323 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000638200116 352061133 /nfs/dbraw/zinc/06/11/33/352061133.db2.gz ONZMFAQDVNMUSH-SRVKXCTJSA-N 2 0 239.363 0.857 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638198811 352062353 /nfs/dbraw/zinc/06/23/53/352062353.db2.gz FZBYAPZPLXUUFT-WDEREUQCSA-N 2 0 225.336 0.372 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000638213841 352075625 /nfs/dbraw/zinc/07/56/25/352075625.db2.gz JYUQYOJLZLGIFU-UTUOFQBUSA-N 2 0 237.347 0.006 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC000638203767 352064829 /nfs/dbraw/zinc/06/48/29/352064829.db2.gz NQSUHCJBRQSOEN-QWRGUYRKSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@H](C(=O)N1CC[NH2+][C@@H](C)[C@H]1C)[NH+](C)C ZINC000638205597 352067929 /nfs/dbraw/zinc/06/79/29/352067929.db2.gz IMDBGFYVUKRMFP-HBNTYKKESA-N 2 0 227.352 0.535 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC1(C)CC[NH2+]CC1 ZINC000638206249 352067982 /nfs/dbraw/zinc/06/79/82/352067982.db2.gz KCSXCJCJDMYUHH-SECBINFHSA-N 2 0 213.325 0.243 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638205970 352068055 /nfs/dbraw/zinc/06/80/55/352068055.db2.gz KDUFMKQFIZBLSZ-IQJOONFLSA-N 2 0 223.320 0.243 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC000638208052 352070754 /nfs/dbraw/zinc/07/07/54/352070754.db2.gz RYUCQPNPWWKMPC-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000638209450 352072253 /nfs/dbraw/zinc/07/22/53/352072253.db2.gz KJIXUAUXQBETAB-MIMYLULJSA-N 2 0 223.320 0.291 20 0 BCADRP C[C@H]([NH3+])CNC(=O)C[N@H+](C)CC(C)(C)C ZINC000638209773 352072380 /nfs/dbraw/zinc/07/23/80/352072380.db2.gz CCPKLASABXBHOG-VIFPVBQESA-N 2 0 215.341 0.428 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000638209923 352072774 /nfs/dbraw/zinc/07/27/74/352072774.db2.gz FYDZLEVQWPEQFU-TUAOUCFPSA-N 2 0 239.363 0.727 20 0 BCADRP COc1cccc([C@@H]([NH3+])C(=O)NCC2C[NH2+]C2)c1 ZINC000638152617 352016901 /nfs/dbraw/zinc/01/69/01/352016901.db2.gz KUWYWJRHLHTNIQ-GFCCVEGCSA-N 2 0 249.314 0.031 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000638153431 352017519 /nfs/dbraw/zinc/01/75/19/352017519.db2.gz VHNQHMIZWWSHED-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000638156099 352018971 /nfs/dbraw/zinc/01/89/71/352018971.db2.gz GTFPNXGHQSDASN-KXUCPTDWSA-N 2 0 213.325 0.193 20 0 BCADRP CC1(CNC(=O)CCC2C[NH2+]C2)CC[NH2+]CC1 ZINC000638163252 352027096 /nfs/dbraw/zinc/02/70/96/352027096.db2.gz ORQKTEGINQPVSC-UHFFFAOYSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@]1(CNC(=O)CCC2C[NH2+]C2)CCC[NH2+]C1 ZINC000638163099 352027200 /nfs/dbraw/zinc/02/72/00/352027200.db2.gz OAVRKKFCJURWLZ-ZDUSSCGKSA-N 2 0 239.363 0.492 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000638163015 352027204 /nfs/dbraw/zinc/02/72/04/352027204.db2.gz XNELXPKCACOSCG-SNVBAGLBSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000638164854 352030044 /nfs/dbraw/zinc/03/00/44/352030044.db2.gz MMVGOKOZRGONTR-XWLWVQCSSA-N 2 0 225.336 0.310 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000638166271 352030776 /nfs/dbraw/zinc/03/07/76/352030776.db2.gz WEMCDGWVGMDVOF-CMPLNLGQSA-N 2 0 227.352 0.490 20 0 BCADRP COc1cccc([C@@H]([NH3+])C(=O)N[C@H](C)C[NH3+])c1 ZINC000638169929 352033501 /nfs/dbraw/zinc/03/35/01/352033501.db2.gz FTFZSSAACOAGBJ-LDYMZIIASA-N 2 0 237.303 0.158 20 0 BCADRP C[N@@H+]1CCCN(C(=O)CCC2C[NH2+]C2)CC1 ZINC000638171364 352037865 /nfs/dbraw/zinc/03/78/65/352037865.db2.gz UOBSGJUWDDAJAE-UHFFFAOYSA-N 2 0 225.336 0.150 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638211851 352074348 /nfs/dbraw/zinc/07/43/48/352074348.db2.gz DEXDRKAVEVFLQG-PSASIEDQSA-N 2 0 211.309 0.148 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC1=CC[NH2+]CC1 ZINC000638175654 352041321 /nfs/dbraw/zinc/04/13/21/352041321.db2.gz ILPXUIRJEJCXJK-SECBINFHSA-N 2 0 211.309 0.020 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000638282371 352120417 /nfs/dbraw/zinc/12/04/17/352120417.db2.gz DGKLFSRGZYSPIO-NEPJUHHUSA-N 2 0 241.379 0.783 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000638287577 352123470 /nfs/dbraw/zinc/12/34/70/352123470.db2.gz WHRFVPWWEVHBOU-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP COC[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638299183 352132990 /nfs/dbraw/zinc/13/29/90/352132990.db2.gz JULJLFMLEPLQMO-LLVKDONJSA-N 2 0 244.379 0.846 20 0 BCADRP COC[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638299184 352133246 /nfs/dbraw/zinc/13/32/46/352133246.db2.gz JULJLFMLEPLQMO-NSHDSACASA-N 2 0 244.379 0.846 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000638211172 352077114 /nfs/dbraw/zinc/07/71/14/352077114.db2.gz SCRKBYGAWHJZIW-IVZWLZJFSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@H](C(=O)N1CC[C@](C)(C[NH3+])C1)[NH+](C)C ZINC000638218068 352077498 /nfs/dbraw/zinc/07/74/98/352077498.db2.gz CADZCDDLVOFHQS-MWLCHTKSSA-N 2 0 213.325 0.134 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000638218013 352077767 /nfs/dbraw/zinc/07/77/67/352077767.db2.gz RWGAVJAHKVGRLR-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP Cc1nccn1CC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000638220814 352079896 /nfs/dbraw/zinc/07/98/96/352079896.db2.gz SNXGHJBUSXPCAE-GFCCVEGCSA-N 2 0 236.319 0.389 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NCC[NH+](C)C ZINC000638227597 352083103 /nfs/dbraw/zinc/08/31/03/352083103.db2.gz STIQMDHVTMVDHE-SNVBAGLBSA-N 2 0 215.341 0.428 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000638233587 352085865 /nfs/dbraw/zinc/08/58/65/352085865.db2.gz WFRFNCPVNUTTKI-LNFKQOIKSA-N 2 0 227.352 0.487 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638235955 352087062 /nfs/dbraw/zinc/08/70/62/352087062.db2.gz SPBSVCACAGOGIE-WCQYABFASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638233120 352087639 /nfs/dbraw/zinc/08/76/39/352087639.db2.gz VGXLQWOZJGCNOQ-PKZYVASSSA-N 2 0 237.347 0.537 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638241999 352089620 /nfs/dbraw/zinc/08/96/20/352089620.db2.gz VDXNGKVOXVCATN-DCAQKATOSA-N 2 0 227.352 0.605 20 0 BCADRP C[NH+](C)CC1(C(=O)NC(C)(C)CCC[NH3+])CC1 ZINC000638247246 352093248 /nfs/dbraw/zinc/09/32/48/352093248.db2.gz NIEPDYCIXPJORT-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)[NH+](C)C ZINC000638247497 352093550 /nfs/dbraw/zinc/09/35/50/352093550.db2.gz NSXQKHKBHVHXIX-GMTAPVOTSA-N 2 0 225.336 0.147 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)[NH+](C)C ZINC000638247499 352093622 /nfs/dbraw/zinc/09/36/22/352093622.db2.gz NSXQKHKBHVHXIX-OUAUKWLOSA-N 2 0 225.336 0.147 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000638249527 352095089 /nfs/dbraw/zinc/09/50/89/352095089.db2.gz ZHACTPDLLQUPOQ-DCAQKATOSA-N 2 0 245.342 0.566 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000638249898 352095243 /nfs/dbraw/zinc/09/52/43/352095243.db2.gz ZISODWPKQGPKRK-FRRDWIJNSA-N 2 0 249.358 0.492 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N[C@@H](C)CCC[NH3+] ZINC000638252323 352095760 /nfs/dbraw/zinc/09/57/60/352095760.db2.gz RVHYRROLYFKPAI-VIFPVBQESA-N 2 0 239.319 0.904 20 0 BCADRP CC[C@H](C(=O)N(C)C1CC([NH3+])C1)[NH+](C)C ZINC000638254568 352097570 /nfs/dbraw/zinc/09/75/70/352097570.db2.gz CUEZVXAJYGYGGC-UDNWOFFPSA-N 2 0 213.325 0.275 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC000638254863 352097974 /nfs/dbraw/zinc/09/79/74/352097974.db2.gz IZLVKFGUONKNCE-NXEZZACHSA-N 2 0 229.368 0.816 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000638256534 352099304 /nfs/dbraw/zinc/09/93/04/352099304.db2.gz PZMSSSBKHUNLFQ-BBBLOLIVSA-N 2 0 215.341 0.602 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1CC[N@H+](C)[C@H]1CC ZINC000638257344 352100706 /nfs/dbraw/zinc/10/07/06/352100706.db2.gz VAYHIVMNVVJODZ-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](C(=O)N[C@@H](CC[NH3+])C(F)F)[NH+](C)C ZINC000638257626 352100860 /nfs/dbraw/zinc/10/08/60/352100860.db2.gz BVLPYWDLWNCTAR-RQJHMYQMSA-N 2 0 223.267 0.035 20 0 BCADRP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH3+] ZINC000638257731 352101267 /nfs/dbraw/zinc/10/12/67/352101267.db2.gz VYGDZZISNWSCMN-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000638257730 352101453 /nfs/dbraw/zinc/10/14/53/352101453.db2.gz VYGDZZISNWSCMN-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638256104 352102872 /nfs/dbraw/zinc/10/28/72/352102872.db2.gz NPUDMDVBJXEVAU-GUBZILKMSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000638263308 352105584 /nfs/dbraw/zinc/10/55/84/352105584.db2.gz WHILQMHNWWVNFL-UWVGGRQHSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000577847412 366082748 /nfs/dbraw/zinc/08/27/48/366082748.db2.gz NELCXGVXVVPYQX-YIZRAAEISA-N 2 0 216.329 0.149 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000638265587 352106387 /nfs/dbraw/zinc/10/63/87/352106387.db2.gz GCAWOAUSFPQBFT-RNFRBKRXSA-N 2 0 241.257 0.380 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638267855 352106737 /nfs/dbraw/zinc/10/67/37/352106737.db2.gz VUCSIAOWWZAMQE-NSHDSACASA-N 2 0 239.363 0.490 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)CCC1C[NH2+]C1 ZINC000638276163 352113195 /nfs/dbraw/zinc/11/31/95/352113195.db2.gz QWQFYRGXGAFMCL-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000638332129 352153732 /nfs/dbraw/zinc/15/37/32/352153732.db2.gz OCGFEFDINMKRLT-PSASIEDQSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638344523 352163842 /nfs/dbraw/zinc/16/38/42/352163842.db2.gz ROQOOJMHWPOVIW-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)CCC[NH2+]C ZINC000638346613 352164889 /nfs/dbraw/zinc/16/48/89/352164889.db2.gz KIXVTYVPZLKOAQ-SECBINFHSA-N 2 0 201.314 0.052 20 0 BCADRP C[C@H](C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)[NH+](C)C ZINC000638358173 352170138 /nfs/dbraw/zinc/17/01/38/352170138.db2.gz UAMVKOCFLNOKHX-KKOKHZNYSA-N 2 0 241.379 0.768 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000638364995 352175498 /nfs/dbraw/zinc/17/54/98/352175498.db2.gz VAALWDLCDRJJPP-GMTAPVOTSA-N 2 0 223.320 0.420 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000638364090 352177045 /nfs/dbraw/zinc/17/70/45/352177045.db2.gz AYNZCVRPRLJKKB-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000638369953 352180119 /nfs/dbraw/zinc/18/01/19/352180119.db2.gz JQQIXTDIBNUFDU-VWYCJHECSA-N 2 0 229.368 0.992 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC000638373467 352183677 /nfs/dbraw/zinc/18/36/77/352183677.db2.gz DXVYNASQWHXRLB-ZDUSSCGKSA-N 2 0 245.326 0.809 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000638375924 352185944 /nfs/dbraw/zinc/18/59/44/352185944.db2.gz JTMKLIZWXOTZDJ-VHSXEESVSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@H](C(=O)NCc1ccc(C[NH3+])cc1)[NH+](C)C ZINC000638373976 352186379 /nfs/dbraw/zinc/18/63/79/352186379.db2.gz FWSXSJGNAPJORN-SNVBAGLBSA-N 2 0 235.331 0.712 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]C2CC2)C1 ZINC000638374024 352186437 /nfs/dbraw/zinc/18/64/37/352186437.db2.gz HLDBPCVCKXYWEK-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000638374563 352187184 /nfs/dbraw/zinc/18/71/84/352187184.db2.gz NWXUWSBDHAPZJF-SNVBAGLBSA-N 2 0 235.331 0.760 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000638390317 352199130 /nfs/dbraw/zinc/19/91/30/352199130.db2.gz KLLKHSQVOZFDHO-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[NH2+]C12CCCC2)[NH+](C)C ZINC000638378252 352189279 /nfs/dbraw/zinc/18/92/79/352189279.db2.gz ZZMOCWXSFKXVRL-MNOVXSKESA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638381688 352193625 /nfs/dbraw/zinc/19/36/25/352193625.db2.gz MPFMIPSPEMNVPQ-KHJSKFAYSA-N 2 0 249.358 0.764 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000638385923 352194508 /nfs/dbraw/zinc/19/45/08/352194508.db2.gz XESOTBASMMKFQJ-GVXVVHGQSA-N 2 0 239.363 0.572 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000638385925 352194699 /nfs/dbraw/zinc/19/46/99/352194699.db2.gz XESOTBASMMKFQJ-MDZLAQPJSA-N 2 0 239.363 0.572 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000638312239 352138185 /nfs/dbraw/zinc/13/81/85/352138185.db2.gz FCRDSNJQNUMJJV-UTUOFQBUSA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@@H](CO)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638314855 352140833 /nfs/dbraw/zinc/14/08/33/352140833.db2.gz DIPHFEAEBJYPCV-NSHDSACASA-N 2 0 244.379 0.582 20 0 BCADRP C[C@H](C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+])[NH+](C)C ZINC000638389224 352196622 /nfs/dbraw/zinc/19/66/22/352196622.db2.gz MBBWBWIXSZAGKF-TUAOUCFPSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000638330712 352148689 /nfs/dbraw/zinc/14/86/89/352148689.db2.gz SPCXSLFSGHNPAO-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H](C(=O)N[C@H](C)C[NH2+]C)[NH+](C)C ZINC000638429786 352238061 /nfs/dbraw/zinc/23/80/61/352238061.db2.gz AEGZERPQHNKAOH-RKDXNWHRSA-N 2 0 201.314 0.051 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]([NH3+])CCC(C)C ZINC000638433085 352242345 /nfs/dbraw/zinc/24/23/45/352242345.db2.gz VZPXFQYZMODCPQ-NXEZZACHSA-N 2 0 215.341 0.474 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000638393328 352200177 /nfs/dbraw/zinc/20/01/77/352200177.db2.gz DTNXJJYREFSTNA-LBPRGKRZSA-N 2 0 237.347 0.540 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000638395603 352202810 /nfs/dbraw/zinc/20/28/10/352202810.db2.gz CQYLNZBHVTUJEE-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000638399537 352204563 /nfs/dbraw/zinc/20/45/63/352204563.db2.gz ITFKJRIRYUYEON-QJPTWQEYSA-N 2 0 239.363 0.857 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH3+])CCCC2)C1 ZINC000638409636 352216532 /nfs/dbraw/zinc/21/65/32/352216532.db2.gz NCRGLAKLEAGCHP-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCN2C)CS1 ZINC000252117990 363124575 /nfs/dbraw/zinc/12/45/75/363124575.db2.gz KLESITKRKPYQMH-WOPDTQHZSA-N 2 0 243.420 0.716 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000638414998 352225167 /nfs/dbraw/zinc/22/51/67/352225167.db2.gz DPVQOQKBYBKOBD-WAAKLRNESA-N 2 0 239.363 0.726 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000638417710 352227475 /nfs/dbraw/zinc/22/74/75/352227475.db2.gz JIYKYYMQNGYSFZ-XSRFYTQQSA-N 2 0 237.347 0.278 20 0 BCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C[C@H](C)[NH3+] ZINC000638419101 352228105 /nfs/dbraw/zinc/22/81/05/352228105.db2.gz FTJGAFUNIKWFSD-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000638424581 352232275 /nfs/dbraw/zinc/23/22/75/352232275.db2.gz CZBITJYGHISWAO-ZBOXLXRLSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000638440637 352247032 /nfs/dbraw/zinc/24/70/32/352247032.db2.gz OOFXAHGGIZLFPP-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CCC1C[NH2+]C1)C2 ZINC000638441391 352247605 /nfs/dbraw/zinc/24/76/05/352247605.db2.gz GRIBMFCJFKPAMA-DGCLKSJQSA-N 2 0 237.347 0.326 20 0 BCADRP C[C@H](C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)[NH+](C)C ZINC000638441813 352248411 /nfs/dbraw/zinc/24/84/11/352248411.db2.gz JVDJFBZZTXYUMR-CKYFFXLPSA-N 2 0 225.336 0.276 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](C)[NH+](C)C ZINC000627052373 363171771 /nfs/dbraw/zinc/17/17/71/363171771.db2.gz PTPDIZSIYHBVHC-GARJFASQSA-N 2 0 242.367 0.376 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)C[NH+](C)C ZINC000627035992 363140931 /nfs/dbraw/zinc/14/09/31/363140931.db2.gz OZNUJORQXIHNSB-GARJFASQSA-N 2 0 242.367 0.376 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000638442265 352251350 /nfs/dbraw/zinc/25/13/50/352251350.db2.gz QYFRXBMPYMLAGG-JFGNBEQYSA-N 2 0 225.336 0.324 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000638442264 352251454 /nfs/dbraw/zinc/25/14/54/352251454.db2.gz QYFRXBMPYMLAGG-FOGDFJRCSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638497217 352315900 /nfs/dbraw/zinc/31/59/00/352315900.db2.gz DVMVLQOTEXSNFM-VHSXEESVSA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638497803 352317648 /nfs/dbraw/zinc/31/76/48/352317648.db2.gz HVJCESJEQRVWGV-WDEREUQCSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638497767 352317691 /nfs/dbraw/zinc/31/76/91/352317691.db2.gz HOIZXIDRQITVRS-IUCAKERBSA-N 2 0 211.309 0.125 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638498174 352318435 /nfs/dbraw/zinc/31/84/35/352318435.db2.gz JZCVDBBAELLBSK-QMMMGPOBSA-N 2 0 211.309 0.125 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000638498155 352318588 /nfs/dbraw/zinc/31/85/88/352318588.db2.gz JXRZOPZMHBRWPL-QWRGUYRKSA-N 2 0 237.347 0.529 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638498063 352318608 /nfs/dbraw/zinc/31/86/08/352318608.db2.gz JPHINHIAINPQCQ-JTQLQIEISA-N 2 0 225.336 0.387 20 0 BCADRP C[NH2+]CCCNC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000627063537 363179555 /nfs/dbraw/zinc/17/95/55/363179555.db2.gz RUAPKWPQSADNBY-LLVKDONJSA-N 2 0 242.367 0.235 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)CC[C@@H](C)[NH3+] ZINC000638487609 352296463 /nfs/dbraw/zinc/29/64/63/352296463.db2.gz BXOBTTMAVLKDQN-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]CCC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638488159 352297270 /nfs/dbraw/zinc/29/72/70/352297270.db2.gz FKDPBCYDBOCNTO-SNVBAGLBSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]CCC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638488157 352297455 /nfs/dbraw/zinc/29/74/55/352297455.db2.gz FKDPBCYDBOCNTO-JTQLQIEISA-N 2 0 213.325 0.052 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638489567 352300914 /nfs/dbraw/zinc/30/09/14/352300914.db2.gz OCQCAXUTXMVJJF-RYUDHWBXSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638493528 352307608 /nfs/dbraw/zinc/30/76/08/352307608.db2.gz WYUBXNUPCHRSSS-WDEREUQCSA-N 2 0 227.352 0.441 20 0 BCADRP CCN(CC[NH3+])C(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000638522502 352356656 /nfs/dbraw/zinc/35/66/56/352356656.db2.gz INLZRGJPYYBTHA-RYUDHWBXSA-N 2 0 241.379 0.819 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638498994 352321261 /nfs/dbraw/zinc/32/12/61/352321261.db2.gz NGTVEFIQIBOAHS-VIFPVBQESA-N 2 0 225.336 0.372 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638506326 352327266 /nfs/dbraw/zinc/32/72/66/352327266.db2.gz SUYHTQSAUGVTRM-LLVKDONJSA-N 2 0 246.314 0.509 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638508051 352329994 /nfs/dbraw/zinc/32/99/94/352329994.db2.gz MKDFSQICXZFTGB-JTQLQIEISA-N 2 0 225.336 0.385 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638507460 352330899 /nfs/dbraw/zinc/33/08/99/352330899.db2.gz IGKBCMTZDSZNPZ-ZJUUUORDSA-N 2 0 225.336 0.385 20 0 BCADRP [NH3+]CC1(CC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000638508897 352331710 /nfs/dbraw/zinc/33/17/10/352331710.db2.gz BQSSFUHZDRICLU-SNVBAGLBSA-N 2 0 237.347 0.516 20 0 BCADRP CCN(CC[NH3+])C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000638511907 352336138 /nfs/dbraw/zinc/33/61/38/352336138.db2.gz CAZJWTNIYQBMQL-UHFFFAOYSA-N 2 0 240.307 0.289 20 0 BCADRP CCN(CC[NH3+])C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000638512219 352336238 /nfs/dbraw/zinc/33/62/38/352336238.db2.gz FYWQGNNUSISPEN-LLVKDONJSA-N 2 0 227.352 0.573 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000638516074 352343808 /nfs/dbraw/zinc/34/38/08/352343808.db2.gz MFFQGFLOIPYUJS-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000638516637 352345328 /nfs/dbraw/zinc/34/53/28/352345328.db2.gz FYGSVDVIYJVSMP-CMPLNLGQSA-N 2 0 227.352 0.701 20 0 BCADRP CCN(CC[NH3+])C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000638517640 352348059 /nfs/dbraw/zinc/34/80/59/352348059.db2.gz YBNHTNNUTBBDEW-GFCCVEGCSA-N 2 0 235.331 0.884 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638573514 352399723 /nfs/dbraw/zinc/39/97/23/352399723.db2.gz FQSVQWBOZLMWAK-WDEREUQCSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000638572372 352400350 /nfs/dbraw/zinc/40/03/50/352400350.db2.gz JVOYDBOXPHIVGQ-XFWSIPNHSA-N 2 0 213.325 0.226 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638572112 352400352 /nfs/dbraw/zinc/40/03/52/352400352.db2.gz HVBQRJPDLQTXKZ-GARJFASQSA-N 2 0 227.352 0.631 20 0 BCADRP CCN(CC[NH3+])C(=O)CC1CC[NH2+]CC1 ZINC000638522718 352357184 /nfs/dbraw/zinc/35/71/84/352357184.db2.gz PFTHVXQJIBBWES-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C)CCOCC[NH2+]C ZINC000638592971 352422866 /nfs/dbraw/zinc/42/28/66/352422866.db2.gz XASQIVAUUCTVLX-NSHDSACASA-N 2 0 245.367 0.069 20 0 BCADRP CC[C@@H](C(=O)N(C)CCOCC[NH2+]C)[NH+](C)C ZINC000638593347 352424049 /nfs/dbraw/zinc/42/40/49/352424049.db2.gz ADKADLAPENCNEB-NSHDSACASA-N 2 0 245.367 0.021 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000638574019 352403945 /nfs/dbraw/zinc/40/39/45/352403945.db2.gz MMHSYDYQDNKPLZ-AXFHLTTASA-N 2 0 225.336 0.371 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NCCOCC[NH2+]C ZINC000638578486 352407738 /nfs/dbraw/zinc/40/77/38/352407738.db2.gz GOIULIFGDRAHGE-UHFFFAOYSA-N 2 0 245.367 0.104 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[C@@H](C)[NH3+] ZINC000638651035 352492698 /nfs/dbraw/zinc/49/26/98/352492698.db2.gz MZHUQQWZQSOTJF-WISYIIOYSA-N 2 0 241.379 0.863 20 0 BCADRP COCCN1CC[C@H]([NH2+]CCC[C@H]2CCO2)C1 ZINC000638636662 352478803 /nfs/dbraw/zinc/47/88/03/352478803.db2.gz GIGQNOGCLXHHLH-STQMWFEESA-N 2 0 242.363 0.866 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638642425 352483996 /nfs/dbraw/zinc/48/39/96/352483996.db2.gz GOLNPKGNVAIKGJ-VHSXEESVSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC000638642430 352484165 /nfs/dbraw/zinc/48/41/65/352484165.db2.gz JFSHLYDDPOXVAY-NTZNESFSSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@H]([NH3+])c2ccccc2)C[NH2+]1 ZINC000638643088 352486758 /nfs/dbraw/zinc/48/67/58/352486758.db2.gz KNOAMFFCAPQBLT-RAIGVLPGSA-N 2 0 247.342 0.943 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2cnccn2)C1 ZINC000390090829 352487045 /nfs/dbraw/zinc/48/70/45/352487045.db2.gz BRDBPSVJWPWRFF-QWRGUYRKSA-N 2 0 220.320 0.879 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638645379 352487335 /nfs/dbraw/zinc/48/73/35/352487335.db2.gz VJQPMHNQCBDBCX-LPEHRKFASA-N 2 0 213.325 0.371 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638645375 352487773 /nfs/dbraw/zinc/48/77/73/352487773.db2.gz VJQPMHNQCBDBCX-AEJSXWLSSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH3+])C[NH2+]1 ZINC000638645056 352488548 /nfs/dbraw/zinc/48/85/48/352488548.db2.gz UBUBPHNOPDQEOO-NXEZZACHSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)C[NH2+]1 ZINC000638645689 352489846 /nfs/dbraw/zinc/48/98/46/352489846.db2.gz WRFOUWOVCVSEJZ-BBBLOLIVSA-N 2 0 225.336 0.241 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH3+])o2)C[NH2+]1 ZINC000638653183 352494651 /nfs/dbraw/zinc/49/46/51/352494651.db2.gz DQHQNGCCFGEOJU-IUCAKERBSA-N 2 0 237.303 0.609 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638655355 352496034 /nfs/dbraw/zinc/49/60/34/352496034.db2.gz PQMGUPMLNJKDLW-MNOVXSKESA-N 2 0 227.352 0.631 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)C2(C[NH3+])CCCC2)C[NH2+]1 ZINC000638654162 352496507 /nfs/dbraw/zinc/49/65/07/352496507.db2.gz JMMHWUZQOIQFES-QWRGUYRKSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)C[NH2+]CC2CC2)C[NH2+]1 ZINC000638655429 352496574 /nfs/dbraw/zinc/49/65/74/352496574.db2.gz QTMOTAHSXAHJRB-GXSJLCMTSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC000638657009 352497922 /nfs/dbraw/zinc/49/79/22/352497922.db2.gz UZJDUTPVDSIRFC-VWYCJHECSA-N 2 0 225.336 0.385 20 0 BCADRP CC(C)[C@H](C(=O)NCCOCCC[NH3+])[C@H](C)[NH3+] ZINC000638662319 352505631 /nfs/dbraw/zinc/50/56/31/352505631.db2.gz SPTXQBSLSOIUEI-QWRGUYRKSA-N 2 0 245.367 0.087 20 0 BCADRP C[C@@H]([NH3+])CC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638667793 352510441 /nfs/dbraw/zinc/51/04/41/352510441.db2.gz DIPGYOVDUMZQBK-SECBINFHSA-N 2 0 249.314 0.844 20 0 BCADRP CC(C)[C@@H](C(=O)N(C)CCOCC[NH3+])[NH+](C)C ZINC000638674956 352514899 /nfs/dbraw/zinc/51/48/99/352514899.db2.gz OAIFGXAAJUKFLW-NSHDSACASA-N 2 0 245.367 0.006 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]CCC[C@@H]2CCO2)CC1 ZINC000638682088 352519528 /nfs/dbraw/zinc/51/95/28/352519528.db2.gz QBQODTFUGKQTCO-GFCCVEGCSA-N 2 0 242.363 0.602 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000388767064 352555630 /nfs/dbraw/zinc/55/56/30/352555630.db2.gz SZOBYYBGDHKPFJ-JHJVBQTASA-N 2 0 244.379 0.704 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C1CC[NH2+]CC1 ZINC000041680054 352615835 /nfs/dbraw/zinc/61/58/35/352615835.db2.gz HVHSIPIMTRBBIM-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000044526621 352654707 /nfs/dbraw/zinc/65/47/07/352654707.db2.gz QBZDOKCLXYSURH-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CC1([NH3+])CCC1 ZINC000638773989 352720509 /nfs/dbraw/zinc/72/05/09/352720509.db2.gz VJMQUZUOFQUKLC-DTWKUNHWSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000638766448 352702783 /nfs/dbraw/zinc/70/27/83/352702783.db2.gz XMWRKQNMGQMHSC-HBNTYKKESA-N 2 0 239.363 0.631 20 0 BCADRP C[C@@H](CC(=O)N[C@@H]1CC[NH2+][C@H]1C)n1ccnc1 ZINC000638764780 352704087 /nfs/dbraw/zinc/70/40/87/352704087.db2.gz HSUCUMYRXUAQOJ-GARJFASQSA-N 2 0 236.319 0.701 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000638768248 352705396 /nfs/dbraw/zinc/70/53/96/352705396.db2.gz YGVONOFAFSGMSO-GXSJLCMTSA-N 2 0 248.330 0.628 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000638768305 352706124 /nfs/dbraw/zinc/70/61/24/352706124.db2.gz VBBRCESZAAZEAT-HOSYDEDBSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638768374 352706228 /nfs/dbraw/zinc/70/62/28/352706228.db2.gz XRASWRKOZRPONX-UKKRHICBSA-N 2 0 225.336 0.241 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000638767203 352706890 /nfs/dbraw/zinc/70/68/90/352706890.db2.gz ATIFCNLKCQIFOV-MEWQQHAOSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000638767238 352707464 /nfs/dbraw/zinc/70/74/64/352707464.db2.gz BURWBYLCQFXSGZ-GARJFASQSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000638768204 352708702 /nfs/dbraw/zinc/70/87/02/352708702.db2.gz SPOHMTGVQBYXDK-GARJFASQSA-N 2 0 237.347 0.243 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638768015 352708820 /nfs/dbraw/zinc/70/88/20/352708820.db2.gz PMDCKIQZEKEOAY-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000638768179 352708843 /nfs/dbraw/zinc/70/88/43/352708843.db2.gz RQLWBNAYOLPIKK-TVQRCGJNSA-N 2 0 245.326 0.770 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000638773155 352714202 /nfs/dbraw/zinc/71/42/02/352714202.db2.gz HWKQYTJXNKCWPO-DJLDLDEBSA-N 2 0 213.325 0.226 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+](C)C ZINC000638772531 352714850 /nfs/dbraw/zinc/71/48/50/352714850.db2.gz CHAZHGUMDPSDFO-IVZWLZJFSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000638772487 352714891 /nfs/dbraw/zinc/71/48/91/352714891.db2.gz BEIBSGIKVAYINO-SBFPOUOMSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000627066695 363194997 /nfs/dbraw/zinc/19/49/97/363194997.db2.gz WHLPGDWQTBTLFG-HBNTYKKESA-N 2 0 240.351 0.178 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)[C@@H](C)[NH3+] ZINC000638791850 352752712 /nfs/dbraw/zinc/75/27/12/352752712.db2.gz VLQJVJUSLZRQEV-OPRDCNLKSA-N 2 0 213.325 0.084 20 0 BCADRP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000334221153 352824804 /nfs/dbraw/zinc/82/48/04/352824804.db2.gz WKJNROUNVWTACV-MNOVXSKESA-N 2 0 225.336 0.006 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)C2CC[NH2+]CC2)[C@@H]1C ZINC000334212381 352810022 /nfs/dbraw/zinc/81/00/22/352810022.db2.gz RKZXPTDTDQBUGE-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)[C@@H](C)C2C[NH2+]C2)CC1 ZINC000163893509 535190087 /nfs/dbraw/zinc/19/00/87/535190087.db2.gz PWBXDXXRYYVSMD-NSHDSACASA-N 2 0 239.363 0.395 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000368101958 187898190 /nfs/dbraw/zinc/89/81/90/187898190.db2.gz MABOMGMOGFIVDD-NEPJUHHUSA-N 2 0 239.363 0.393 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH2+]C1CC1 ZINC000627068486 363200318 /nfs/dbraw/zinc/20/03/18/363200318.db2.gz KLBZSTWHDPKQPC-NSHDSACASA-N 2 0 240.351 0.132 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627071281 363200944 /nfs/dbraw/zinc/20/09/44/363200944.db2.gz FHBBQLAKFHZIRI-ZJUUUORDSA-N 2 0 228.340 0.036 20 0 BCADRP C[NH2+]CCC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638845328 353025620 /nfs/dbraw/zinc/02/56/20/353025620.db2.gz MUYRKINXDJKASH-UHFFFAOYSA-N 2 0 247.342 0.558 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638814605 352995518 /nfs/dbraw/zinc/99/55/18/352995518.db2.gz FPFDEBIUTQBYDJ-LLVKDONJSA-N 2 0 227.352 0.714 20 0 BCADRP CC1(C(=O)N2CCCCC[C@H]([NH3+])C2)C[NH2+]C1 ZINC000638815482 352996509 /nfs/dbraw/zinc/99/65/09/352996509.db2.gz HRLWZGUKDYNEEY-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638817630 352997834 /nfs/dbraw/zinc/99/78/34/352997834.db2.gz SFLOKSKKKBIREW-GRYCIOLGSA-N 2 0 239.363 0.844 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638817631 352997901 /nfs/dbraw/zinc/99/79/01/352997901.db2.gz SFLOKSKKKBIREW-SDDRHHMPSA-N 2 0 239.363 0.844 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638818722 352998989 /nfs/dbraw/zinc/99/89/89/352998989.db2.gz FHQMRCMRPNSSIT-DTWKUNHWSA-N 2 0 249.305 0.699 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000638823018 353004151 /nfs/dbraw/zinc/00/41/51/353004151.db2.gz OGALVBWIIKQNNF-NWDGAFQWSA-N 2 0 239.363 0.858 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638823542 353005080 /nfs/dbraw/zinc/00/50/80/353005080.db2.gz VAVFRAWKENVIRM-SNVBAGLBSA-N 2 0 227.352 0.701 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638824720 353005818 /nfs/dbraw/zinc/00/58/18/353005818.db2.gz VEYQEHPJMJCHJN-JTQLQIEISA-N 2 0 227.352 0.844 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915474 353074680 /nfs/dbraw/zinc/07/46/80/353074680.db2.gz MRDCPYFOCPOFPX-UWVGGRQHSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH+](C)CC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638876444 353042384 /nfs/dbraw/zinc/04/23/84/353042384.db2.gz HMKDXZSZGRLBTQ-ZDUSSCGKSA-N 2 0 249.358 0.624 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638897024 353057298 /nfs/dbraw/zinc/05/72/98/353057298.db2.gz ZWDQPMIBMLJMAW-XFWSIPNHSA-N 2 0 213.325 0.023 20 0 BCADRP CC[C@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCC[NH2+]1 ZINC000638916100 353077751 /nfs/dbraw/zinc/07/77/51/353077751.db2.gz YCCBBLIQDQYTLX-JBLDHEPKSA-N 2 0 223.320 0.091 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638917512 353081401 /nfs/dbraw/zinc/08/14/01/353081401.db2.gz GBNAKXBECXXQFG-PHIMTYICSA-N 2 0 225.336 0.337 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000638917535 353081953 /nfs/dbraw/zinc/08/19/53/353081953.db2.gz GPQKLTNAIZHLQC-BETUJISGSA-N 2 0 245.326 0.722 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638918898 353083647 /nfs/dbraw/zinc/08/36/47/353083647.db2.gz GYGNZBKVLLJFNN-AOOOYVTPSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+]CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924557 353085207 /nfs/dbraw/zinc/08/52/07/353085207.db2.gz AWOUXCYTHJVFCM-AOOOYVTPSA-N 2 0 211.309 0.078 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924742 353085577 /nfs/dbraw/zinc/08/55/77/353085577.db2.gz DXYSQHMXGYTOSC-PHIMTYICSA-N 2 0 225.336 0.291 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638926695 353087289 /nfs/dbraw/zinc/08/72/89/353087289.db2.gz LAORWOINUCTZNY-UTUOFQBUSA-N 2 0 237.347 0.291 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638929847 353090893 /nfs/dbraw/zinc/09/08/93/353090893.db2.gz IDTQADQQRNSJMX-RKDXNWHRSA-N 2 0 237.303 0.608 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CCc2nccn2C1 ZINC000638930147 353090970 /nfs/dbraw/zinc/09/09/70/353090970.db2.gz IULCNQIXSXMDSQ-VWYCJHECSA-N 2 0 248.330 0.394 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000638930466 353091459 /nfs/dbraw/zinc/09/14/59/353091459.db2.gz LIMAVUNMBVKNTO-BLFANLJRSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000638930469 353091463 /nfs/dbraw/zinc/09/14/63/353091463.db2.gz LIMAVUNMBVKNTO-XZUYRWCXSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000638930574 353091680 /nfs/dbraw/zinc/09/16/80/353091680.db2.gz HZIAJIICTYCZKQ-VWYCJHECSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[NH+]1CCC(C)CC1 ZINC000638930940 353091980 /nfs/dbraw/zinc/09/19/80/353091980.db2.gz ISMCOZXTWFBMMP-VXGBXAGGSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638931492 353092634 /nfs/dbraw/zinc/09/26/34/353092634.db2.gz MPBNWCAMTXHVER-NAKRPEOUSA-N 2 0 225.336 0.323 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC[N@@H+]1C ZINC000638931535 353093150 /nfs/dbraw/zinc/09/31/50/353093150.db2.gz PXUXJPWQRKKRSE-WISYIIOYSA-N 2 0 239.363 0.665 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638932058 353093777 /nfs/dbraw/zinc/09/37/77/353093777.db2.gz QVBIGSLDRSFBDX-IVZWLZJFSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000638932953 353095046 /nfs/dbraw/zinc/09/50/46/353095046.db2.gz AUNREBMBSXRYLK-OUAUKWLOSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C1(C[NH+](C)C)CC1 ZINC000638928947 353098985 /nfs/dbraw/zinc/09/89/85/353098985.db2.gz CYSZVELIVQUUMW-ZJUUUORDSA-N 2 0 225.336 0.276 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638935601 353099354 /nfs/dbraw/zinc/09/93/54/353099354.db2.gz OAHHKTSIXLCPQK-UWVGGRQHSA-N 2 0 213.325 0.275 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638937044 353100647 /nfs/dbraw/zinc/10/06/47/353100647.db2.gz DWMHTJOZKOHLPX-WISYIIOYSA-N 2 0 237.347 0.337 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000262893895 188020228 /nfs/dbraw/zinc/02/02/28/188020228.db2.gz OVWUNRWYBKWOEH-CYBMUJFWSA-N 2 0 235.331 0.714 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726679 188044263 /nfs/dbraw/zinc/04/42/63/188044263.db2.gz VMCJQVUTSXHXSX-MWLCHTKSSA-N 2 0 239.363 0.713 20 0 BCADRP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC[NH2+]CC1 ZINC000336538216 188032627 /nfs/dbraw/zinc/03/26/27/188032627.db2.gz PXMIKUDERNDWND-BETUJISGSA-N 3 0 223.364 0.527 20 0 BCADRP CC(C)[N@H+](CCO)CCc1cncn1C ZINC000290118243 188035501 /nfs/dbraw/zinc/03/55/01/188035501.db2.gz TZVGUMAVCTXEJX-UHFFFAOYSA-N 2 0 211.309 0.665 20 0 BCADRP CC(C)[C@H](C)NC(=O)CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000131790935 188048347 /nfs/dbraw/zinc/04/83/47/188048347.db2.gz ZPKKIYLHSNPHGK-SRVKXCTJSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](C)C[NH3+])CC1 ZINC000054340901 188048744 /nfs/dbraw/zinc/04/87/44/188048744.db2.gz RMJUYZBQWNHRTH-NSHDSACASA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094460147 188050267 /nfs/dbraw/zinc/05/02/67/188050267.db2.gz BNWBCLOOZVWAIW-TUAOUCFPSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638943843 353143868 /nfs/dbraw/zinc/14/38/68/353143868.db2.gz XGDHIDDBRJZEAY-OPRDCNLKSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)CC1([NH3+])CCC1 ZINC000638946202 353148513 /nfs/dbraw/zinc/14/85/13/353148513.db2.gz LPBNGKZBFGWRJO-IUCAKERBSA-N 2 0 211.309 0.206 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000638947012 353149957 /nfs/dbraw/zinc/14/99/57/353149957.db2.gz RDSCAWOXIWWDPU-CABZTGNLSA-N 2 0 233.315 0.707 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638950655 353153807 /nfs/dbraw/zinc/15/38/07/353153807.db2.gz LGJSOPUIJRKOOO-GMTAPVOTSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)CCC2C[NH2+]C2)CC1 ZINC000638951248 353156733 /nfs/dbraw/zinc/15/67/33/353156733.db2.gz RZUBAWYXKYJFSR-UMSPYCQHSA-N 2 0 239.363 0.620 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638969215 353175782 /nfs/dbraw/zinc/17/57/82/353175782.db2.gz SAMOGXFTRHJETF-MGCOHNPYSA-N 2 0 248.330 0.741 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)[NH+](C)C ZINC000638981849 353196197 /nfs/dbraw/zinc/19/61/97/353196197.db2.gz IVSGOLRULMGXGF-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP CCC1([NH+](C)C)CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000638974993 353180599 /nfs/dbraw/zinc/18/05/99/353180599.db2.gz GCOLKTYNORUWIY-JTQLQIEISA-N 2 0 227.352 0.666 20 0 BCADRP CCC1([NH+](C)C)CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000638980441 353187470 /nfs/dbraw/zinc/18/74/70/353187470.db2.gz MLDSLTBURLTROE-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP CCN1C[C@H]([NH2+][C@H](C)CCCC[NH3+])CC1=O ZINC000391541583 259440436 /nfs/dbraw/zinc/44/04/36/259440436.db2.gz NMOIEWCFZYMEJR-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000261574578 535208206 /nfs/dbraw/zinc/20/82/06/535208206.db2.gz JILBOESVBQFCOV-OPRDCNLKSA-N 2 0 213.325 0.084 20 0 BCADRP [NH3+]CC1(NC(=O)CC[NH2+]C2CC2)CCCCC1 ZINC000638999371 353246454 /nfs/dbraw/zinc/24/64/54/353246454.db2.gz ZTFMFMWGRSHACC-UHFFFAOYSA-N 2 0 239.363 0.906 20 0 BCADRP [NH3+]CCCC(=O)NC1(C[NH3+])CCCCC1 ZINC000639001858 353249392 /nfs/dbraw/zinc/24/93/92/353249392.db2.gz PRQZCDVCCBMJQE-UHFFFAOYSA-N 2 0 213.325 0.503 20 0 BCADRP CC(C)[NH2+]CC(=O)NC1(C[NH3+])CCCCC1 ZINC000638998291 353241188 /nfs/dbraw/zinc/24/11/88/353241188.db2.gz OTGINECXTIMQPF-UHFFFAOYSA-N 2 0 227.352 0.762 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000070316918 353258621 /nfs/dbraw/zinc/25/86/21/353258621.db2.gz XYSSFMMLHILVRT-GFCCVEGCSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NC1(C[NH3+])CCCCC1 ZINC000638996935 353242287 /nfs/dbraw/zinc/24/22/87/353242287.db2.gz RADHJLPRXLXYSQ-GHMZBOCLSA-N 2 0 239.363 0.762 20 0 BCADRP CO[C@@H](C[NH3+])CC(=O)NC1(C[NH3+])CCCCC1 ZINC000638996952 353242533 /nfs/dbraw/zinc/24/25/33/353242533.db2.gz RRPMBOUIWMHHSR-SNVBAGLBSA-N 2 0 243.351 0.128 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC1(C[NH3+])CCCCC1 ZINC000638997094 353243183 /nfs/dbraw/zinc/24/31/83/353243183.db2.gz FMPYJYFTVXETFE-VIFPVBQESA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H](C(=O)NC1(C[NH3+])CCCCC1)[NH+](C)C ZINC000638997129 353243205 /nfs/dbraw/zinc/24/32/05/353243205.db2.gz ACBFUCWPNBLFLU-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639022716 353278353 /nfs/dbraw/zinc/27/83/53/353278353.db2.gz RHILEPDHTZAOTI-KYZUINATSA-N 2 0 213.325 0.500 20 0 BCADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250396510 353269533 /nfs/dbraw/zinc/26/95/33/353269533.db2.gz YQLQXKUOZMYIID-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000639023299 353282709 /nfs/dbraw/zinc/28/27/09/353282709.db2.gz WKJVHFVOADFGPE-DCAQKATOSA-N 2 0 225.336 0.515 20 0 BCADRP CC(C)[C@@H](C(=O)N(C)CCC[NH+](C)C)[NH+](C)C ZINC000537213878 324041101 /nfs/dbraw/zinc/04/11/01/324041101.db2.gz YNHDVOHOGGLSSB-LBPRGKRZSA-N 2 0 243.395 0.983 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000353448431 188234174 /nfs/dbraw/zinc/23/41/74/188234174.db2.gz MMHVKVJEOWMQER-UTUOFQBUSA-N 2 0 241.379 0.687 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000639025670 353284876 /nfs/dbraw/zinc/28/48/76/353284876.db2.gz ZOEYCVMFDHYAMC-NSHDSACASA-N 2 0 247.342 0.760 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639026130 353285662 /nfs/dbraw/zinc/28/56/62/353285662.db2.gz XSZIJIUNLAFHQC-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000357105922 188239540 /nfs/dbraw/zinc/23/95/40/188239540.db2.gz OSFTYMZQWLLFEA-GFCCVEGCSA-N 2 0 238.335 0.912 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000251728200 353287782 /nfs/dbraw/zinc/28/77/82/353287782.db2.gz CGQGCZVXCRJMTL-UTUOFQBUSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)(C)[C@H]([NH2+]CCC1CC[NH2+]CC1)C(N)=O ZINC000359212830 188241540 /nfs/dbraw/zinc/24/15/40/188241540.db2.gz NOCMTPKFQDTERZ-LLVKDONJSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000248485914 188258685 /nfs/dbraw/zinc/25/86/85/188258685.db2.gz KYOGTXDEKNMLLG-ZJUUUORDSA-N 2 0 215.341 0.426 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639027956 353291115 /nfs/dbraw/zinc/29/11/15/353291115.db2.gz UUABUYDDZGNDPU-WDEREUQCSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639027705 353291355 /nfs/dbraw/zinc/29/13/55/353291355.db2.gz PTGILKWJYLXJND-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)C[C@H](CNC(=O)C[C@H](C)[NH3+])[NH+](C)C ZINC000040831336 188256191 /nfs/dbraw/zinc/25/61/91/188256191.db2.gz BKVNOBQHCPRTRO-WDEREUQCSA-N 2 0 229.368 0.816 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639021902 353279922 /nfs/dbraw/zinc/27/99/22/353279922.db2.gz OIHVYZAFFDUIJS-DCAQKATOSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000377000702 188283264 /nfs/dbraw/zinc/28/32/64/188283264.db2.gz YMWJYKWQLNLLLK-UWVGGRQHSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000377000706 188283290 /nfs/dbraw/zinc/28/32/90/188283290.db2.gz YMWJYKWQLNLLLK-ZJUUUORDSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)CC2([NH3+])CC2)CC1 ZINC000639029763 353297562 /nfs/dbraw/zinc/29/75/62/353297562.db2.gz LXPDRWDDJSVEIU-KYZUINATSA-N 2 0 211.309 0.254 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000639031084 353298439 /nfs/dbraw/zinc/29/84/39/353298439.db2.gz GDMBQHKRHCTBAZ-MSLAYNRJSA-N 2 0 211.309 0.110 20 0 BCADRP CC(C)[N@H+](C)CC1CCN(C(=O)CC[NH3+])CC1 ZINC000037826021 188288214 /nfs/dbraw/zinc/28/82/14/188288214.db2.gz SEANFAKFKCGUNM-UHFFFAOYSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000639031325 353299323 /nfs/dbraw/zinc/29/93/23/353299323.db2.gz GVOJHWCSRIBKPQ-GARJFASQSA-N 2 0 240.351 0.117 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000639031865 353301212 /nfs/dbraw/zinc/30/12/12/353301212.db2.gz YQIGWXJZIOTPFS-SRVKXCTJSA-N 2 0 239.363 0.762 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639031853 353301474 /nfs/dbraw/zinc/30/14/74/353301474.db2.gz XQSUURYYQIHRAG-OPRDCNLKSA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+]CC1(CC(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000639032448 353301909 /nfs/dbraw/zinc/30/19/09/353301909.db2.gz YIWZNXLMCXQTRW-MGCOHNPYSA-N 2 0 225.336 0.502 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252843882 353312034 /nfs/dbraw/zinc/31/20/34/353312034.db2.gz DHXIAFBQSVAVHK-SRVKXCTJSA-N 2 0 239.363 0.524 20 0 BCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252846129 353312115 /nfs/dbraw/zinc/31/21/15/353312115.db2.gz FKBXAKMHBWTDCR-GARJFASQSA-N 2 0 225.336 0.134 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000639033339 353305020 /nfs/dbraw/zinc/30/50/20/353305020.db2.gz LRYWTHRETQVXAY-XYPYZODXSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000627076064 363215962 /nfs/dbraw/zinc/21/59/62/363215962.db2.gz SSRGYXNJFRCTEK-OUAUKWLOSA-N 2 0 240.351 0.178 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639042388 353324226 /nfs/dbraw/zinc/32/42/26/353324226.db2.gz NFZLBKUDNHSJBR-XYPYZODXSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000131862078 188317875 /nfs/dbraw/zinc/31/78/75/188317875.db2.gz XVXNZRRLRBIHKC-AEJSXWLSSA-N 2 0 213.325 0.179 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000036999057 188325326 /nfs/dbraw/zinc/32/53/26/188325326.db2.gz JKKAVOQOJQJRRI-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000044538868 188326276 /nfs/dbraw/zinc/32/62/76/188326276.db2.gz DUCWTLAITZXQCO-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000131922329 188331795 /nfs/dbraw/zinc/33/17/95/188331795.db2.gz VJHBWHVNXBXWGV-YPMHNXCESA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639072852 353390164 /nfs/dbraw/zinc/39/01/64/353390164.db2.gz ZZBJBBLIHCMTTR-NXEZZACHSA-N 2 0 233.315 0.813 20 0 BCADRP c1cn(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000085283196 538116135 /nfs/dbraw/zinc/11/61/35/538116135.db2.gz PHXKUNMSBKKKAA-GHMZBOCLSA-N 2 0 206.293 0.034 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC1=CC[NH+](C)CC1 ZINC000343290250 353370160 /nfs/dbraw/zinc/37/01/60/353370160.db2.gz MRXAUCLRUMZZCE-UHFFFAOYSA-N 2 0 239.363 0.705 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000106364055 188343815 /nfs/dbraw/zinc/34/38/15/188343815.db2.gz AZTRFRLKLYITQQ-GFCCVEGCSA-N 2 0 241.379 0.879 20 0 BCADRP C[NH+](C)C[C@@](C)(O)C[NH2+]C[C@H]1CCSC1 ZINC000226385898 363217724 /nfs/dbraw/zinc/21/77/24/363217724.db2.gz XTVJJICYYKGRSI-MNOVXSKESA-N 2 0 232.393 0.642 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C(C)(C)[NH3+] ZINC000054133381 188353173 /nfs/dbraw/zinc/35/31/73/188353173.db2.gz FIZQINALALUJSQ-UHFFFAOYSA-N 2 0 201.314 0.180 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627076510 363217976 /nfs/dbraw/zinc/21/79/76/363217976.db2.gz DMLLFXMTSCSYTJ-IVZWLZJFSA-N 2 0 228.340 0.019 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)N[C@H](C[NH3+])C2CC2)C[NH2+]1 ZINC000627079217 363223754 /nfs/dbraw/zinc/22/37/54/363223754.db2.gz UVWGKXSQDUGJHN-FBIMIBRVSA-N 2 0 240.351 0.163 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000165605930 353405689 /nfs/dbraw/zinc/40/56/89/353405689.db2.gz FNCZECHNNCEUPC-VHSXEESVSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)([NH3+])C(=O)NCCCNc1ccccn1 ZINC000262665552 188370837 /nfs/dbraw/zinc/37/08/37/188370837.db2.gz PGTKAJAGLTVFQZ-UHFFFAOYSA-N 2 0 236.319 0.737 20 0 BCADRP CC1(C)SC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000393825886 353455551 /nfs/dbraw/zinc/45/55/51/353455551.db2.gz GORFEOAETCZZSO-MNOVXSKESA-N 2 0 244.404 0.927 20 0 BCADRP CCN(CC[NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000627082894 363232498 /nfs/dbraw/zinc/23/24/98/363232498.db2.gz CPLKUTLAISRHMA-UHFFFAOYSA-N 2 0 242.367 0.366 20 0 BCADRP C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[C@H](C)[NH3+] ZINC000192098269 353542017 /nfs/dbraw/zinc/54/20/17/353542017.db2.gz UFTBTDXPTRRSOQ-GRYCIOLGSA-N 2 0 241.379 0.770 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)CCC[NH3+] ZINC000037825180 358479232 /nfs/dbraw/zinc/47/92/32/358479232.db2.gz SDKMWWHFNRTFBS-UHFFFAOYSA-N 2 0 229.368 0.772 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000193300681 353589987 /nfs/dbraw/zinc/58/99/87/353589987.db2.gz JZAVKZAMWUQQRZ-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000193566104 353601647 /nfs/dbraw/zinc/60/16/47/353601647.db2.gz ICSCAAHMFADXMH-AXFHLTTASA-N 2 0 225.336 0.243 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000627086659 363240348 /nfs/dbraw/zinc/24/03/48/363240348.db2.gz YVZJRZNZZOTTNU-SNVBAGLBSA-N 2 0 228.340 0.119 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627090633 363243385 /nfs/dbraw/zinc/24/33/85/363243385.db2.gz XTGDIQWWGGCJFV-AXFHLTTASA-N 2 0 242.367 0.424 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000627090549 363243405 /nfs/dbraw/zinc/24/34/05/363243405.db2.gz WZUOTXIBQLHJRU-XWLWVQCSSA-N 2 0 240.351 0.177 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000627098980 363256652 /nfs/dbraw/zinc/25/66/52/363256652.db2.gz ZOUWWUIQVWWTSI-XFWSIPNHSA-N 2 0 228.340 0.162 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627097052 363257056 /nfs/dbraw/zinc/25/70/56/363257056.db2.gz CLWJNUKPJBJUNP-LPEHRKFASA-N 2 0 228.340 0.163 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000627096888 363257203 /nfs/dbraw/zinc/25/72/03/363257203.db2.gz FOCFDDOHPOSSAH-KXUCPTDWSA-N 2 0 228.340 0.116 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627097545 363258613 /nfs/dbraw/zinc/25/86/13/363258613.db2.gz JRUCSVNRTSJQQG-UWVGGRQHSA-N 2 0 240.351 0.308 20 0 BCADRP CCC[NH+](CCC)CCCNC(=O)C[NH3+] ZINC000165834752 353739129 /nfs/dbraw/zinc/73/91/29/353739129.db2.gz NKAPOTYWPVEDPT-UHFFFAOYSA-N 2 0 215.341 0.573 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000627103987 363263414 /nfs/dbraw/zinc/26/34/14/363263414.db2.gz YNLWYPTZLXYCTG-XWLWVQCSSA-N 2 0 240.351 0.163 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000627103986 363264005 /nfs/dbraw/zinc/26/40/05/363264005.db2.gz YNLWYPTZLXYCTG-UKKRHICBSA-N 2 0 240.351 0.163 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](C)CC1 ZINC000343355862 353859682 /nfs/dbraw/zinc/85/96/82/353859682.db2.gz ZKGCHOCDKPSQMF-UHFFFAOYSA-N 2 0 239.363 0.706 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000178410611 366121811 /nfs/dbraw/zinc/12/18/11/366121811.db2.gz JBSAJLANATWPBQ-GFCCVEGCSA-N 2 0 235.331 0.455 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000343414952 353879544 /nfs/dbraw/zinc/87/95/44/353879544.db2.gz KFTBMROJRZCIIU-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000343418289 353880350 /nfs/dbraw/zinc/88/03/50/353880350.db2.gz LCFJXCFTWDBOEQ-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@@H](C)C[NH2+]1 ZINC000343447005 353891045 /nfs/dbraw/zinc/89/10/45/353891045.db2.gz YVRKKQFSIVXJAJ-WRWGMCAJSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000627106293 363266045 /nfs/dbraw/zinc/26/60/45/363266045.db2.gz HPADQQAILPHSMJ-VPOLOUISSA-N 2 0 242.367 0.552 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC1CCC(C[NH3+])CC1 ZINC000343591464 353941753 /nfs/dbraw/zinc/94/17/53/353941753.db2.gz JONJNPLTGVWDFN-HTAVTVPLSA-N 2 0 241.379 0.851 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC1CCC(C[NH3+])CC1 ZINC000343591466 353941884 /nfs/dbraw/zinc/94/18/84/353941884.db2.gz JONJNPLTGVWDFN-MCIGGMRASA-N 2 0 241.379 0.851 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000343595572 353943055 /nfs/dbraw/zinc/94/30/55/353943055.db2.gz LSZHMJWESSINIB-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000343615858 353945779 /nfs/dbraw/zinc/94/57/79/353945779.db2.gz GGBHUZDPYZJEPB-LSCVPOLPSA-N 2 0 239.363 0.842 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000343469501 353899313 /nfs/dbraw/zinc/89/93/13/353899313.db2.gz XUICQUKRXVLETN-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000343476807 353902323 /nfs/dbraw/zinc/90/23/23/353902323.db2.gz NYKZAUILGZEDJM-WYUUTHIRSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000343645935 353952453 /nfs/dbraw/zinc/95/24/53/353952453.db2.gz RUVVOFTUHHBZGF-FOGDFJRCSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]([NH3+])c1ccccc1 ZINC000343647459 353952769 /nfs/dbraw/zinc/95/27/69/353952769.db2.gz TVRLAPHLYGQFSS-YUSALJHKSA-N 2 0 233.315 0.635 20 0 BCADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000343648330 353953458 /nfs/dbraw/zinc/95/34/58/353953458.db2.gz VQCYJYQNIDUWEE-XWLWVQCSSA-N 2 0 225.336 0.323 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627116769 363283431 /nfs/dbraw/zinc/28/34/31/363283431.db2.gz QJFJSYBDBGXOGH-HBNTYKKESA-N 2 0 242.367 0.409 20 0 BCADRP CO[C@H]1C[N@H+](CCOCC[NH3+])CC[C@@H]1C ZINC000230312145 363304224 /nfs/dbraw/zinc/30/42/24/363304224.db2.gz CQEFDPHIXYKQNH-QWRGUYRKSA-N 2 0 216.325 0.319 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CCCC1 ZINC000334579939 354128000 /nfs/dbraw/zinc/12/80/00/354128000.db2.gz JQELAWGXASRDJS-QMMMGPOBSA-N 2 0 247.289 0.371 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000334571507 354100024 /nfs/dbraw/zinc/10/00/24/354100024.db2.gz RPGYPQZQDMYSTG-MNOVXSKESA-N 2 0 239.363 0.844 20 0 BCADRP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)CC2 ZINC000344052976 354124243 /nfs/dbraw/zinc/12/42/43/354124243.db2.gz DUNOHPVDPSJLHF-MVWJERBFSA-N 2 0 249.362 0.441 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000334579682 354127262 /nfs/dbraw/zinc/12/72/62/354127262.db2.gz IJETWUNCIYYVJW-JGVFFNPUSA-N 2 0 235.278 0.083 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000449680982 202000928 /nfs/dbraw/zinc/00/09/28/202000928.db2.gz DECQNTACBFYJRK-SECBINFHSA-N 2 0 225.336 0.467 20 0 BCADRP CCC[N@H+](C)CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449682117 202003064 /nfs/dbraw/zinc/00/30/64/202003064.db2.gz KUMJFHNIGZVOAF-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000449707585 202006819 /nfs/dbraw/zinc/00/68/19/202006819.db2.gz RTMWQSHGIZWVDL-NSHDSACASA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000449724785 202008009 /nfs/dbraw/zinc/00/80/09/202008009.db2.gz NHEWCVKJTUPBSF-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449725433 202008070 /nfs/dbraw/zinc/00/80/70/202008070.db2.gz INPSSYIHZSVWOI-QJPTWQEYSA-N 2 0 237.347 0.196 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000449722363 202009008 /nfs/dbraw/zinc/00/90/08/202009008.db2.gz KRDACPGPKUOLKF-MNOVXSKESA-N 2 0 241.379 0.995 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000449723775 202009179 /nfs/dbraw/zinc/00/91/79/202009179.db2.gz MEJWKWBDAFGUBC-UTUOFQBUSA-N 2 0 241.379 0.816 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449725959 202009730 /nfs/dbraw/zinc/00/97/30/202009730.db2.gz JOQPFEQDLBALFK-NWDGAFQWSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH+](C)CCOCC[NH2+]C1CCOCC1 ZINC000231676678 363347733 /nfs/dbraw/zinc/34/77/33/363347733.db2.gz JMTQIFWTIMVZKR-UHFFFAOYSA-N 2 0 216.325 0.333 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CCC1(F)F ZINC000334583863 354205411 /nfs/dbraw/zinc/20/54/11/354205411.db2.gz SOEMOJRDHJFJNP-IUCAKERBSA-N 2 0 247.289 0.242 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000334590026 354219559 /nfs/dbraw/zinc/21/95/59/354219559.db2.gz JNYHYQPTXLGJEM-YPMHNXCESA-N 2 0 237.347 0.198 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000178700773 366155671 /nfs/dbraw/zinc/15/56/71/366155671.db2.gz NSWUXMVOLDULFM-GXFFZTMASA-N 2 0 247.342 0.727 20 0 BCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(C)(C)[NH3+])CC[C@@H]21 ZINC000167532720 134004466 /nfs/dbraw/zinc/00/44/66/134004466.db2.gz AOQZKPSHHJVBRD-QWRGUYRKSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449750353 202020030 /nfs/dbraw/zinc/02/00/30/202020030.db2.gz IRYVKFHOODGZJC-SCZZXKLOSA-N 2 0 225.336 0.384 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449749300 202020063 /nfs/dbraw/zinc/02/00/63/202020063.db2.gz FJCIGQHNPIEZGN-NXEZZACHSA-N 2 0 227.352 0.631 20 0 BCADRP [NH3+][C@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)C1CCC1 ZINC000334660074 354458400 /nfs/dbraw/zinc/45/84/00/354458400.db2.gz FCESAQKMIATZGA-BDAKNGLRSA-N 2 0 247.289 0.227 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)CC2CC[NH2+]CC2)[C@@H]1C ZINC000334662476 354462161 /nfs/dbraw/zinc/46/21/61/354462161.db2.gz DQDFFUVZTHZQOH-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000334698029 354489919 /nfs/dbraw/zinc/48/99/19/354489919.db2.gz IEKLOCLFWSQHRU-NWDGAFQWSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000334708675 354504326 /nfs/dbraw/zinc/50/43/26/354504326.db2.gz ORIJPRUYDBYRBH-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000334763779 354584741 /nfs/dbraw/zinc/58/47/41/354584741.db2.gz ICYYMWXOYMSLDS-VXGBXAGGSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]CCNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418317348 491066220 /nfs/dbraw/zinc/06/62/20/491066220.db2.gz MLGRRGLMSLCUJQ-JTQLQIEISA-N 2 0 242.367 0.283 20 0 BCADRP C[C@@H]1[C@H](NC(=O)NCC[NH+](C)C)CCC[N@@H+]1C ZINC000345732454 354746596 /nfs/dbraw/zinc/74/65/96/354746596.db2.gz AYUVPQWPJZYDKX-GHMZBOCLSA-N 2 0 242.367 0.330 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CCC1CC[NH2+]CC1 ZINC000345747688 354751077 /nfs/dbraw/zinc/75/10/77/354751077.db2.gz BALQTUIGDSMSTO-GFCCVEGCSA-N 2 0 241.379 0.866 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000389573694 354820922 /nfs/dbraw/zinc/82/09/22/354820922.db2.gz CUSVMONMWIQQNY-IWSPIJDZSA-N 2 0 201.314 0.084 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@H](C)C[NH3+] ZINC000627158797 363398611 /nfs/dbraw/zinc/39/86/11/363398611.db2.gz DWKITSYIHFPBFN-KXUCPTDWSA-N 2 0 228.340 0.116 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346141776 354870952 /nfs/dbraw/zinc/87/09/52/354870952.db2.gz RJYATBBAACWZIA-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@@H]1C[N@H+](CC(C)(C)O)CC[C@@H]1[NH3+] ZINC000147429059 491070261 /nfs/dbraw/zinc/07/02/61/491070261.db2.gz LFIGQKAEVHRCRO-ZJUUUORDSA-N 2 0 200.326 0.817 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC000346550847 354984879 /nfs/dbraw/zinc/98/48/79/354984879.db2.gz RTFBIKUQDWPLLJ-LLVKDONJSA-N 2 0 225.336 0.291 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000335204816 355039667 /nfs/dbraw/zinc/03/96/67/355039667.db2.gz ZIPAMNNHICXCDR-AAEUAGOBSA-N 2 0 247.342 0.884 20 0 BCADRP CC1(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C[NH2+]C1 ZINC000335050700 535277002 /nfs/dbraw/zinc/27/70/02/535277002.db2.gz DUABAKQPFHNKAY-ZDUSSCGKSA-N 2 0 237.347 0.198 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]1)c1ccc2c[nH+]cn2c1 ZINC000335222561 355063216 /nfs/dbraw/zinc/06/32/16/355063216.db2.gz ZOZQMHLMIPZPOV-LLVKDONJSA-N 2 0 244.298 0.816 20 0 BCADRP C[C@H]([NH3+])CN1CCC(C)([NH+]2CCOCC2)CC1 ZINC000530232797 324549579 /nfs/dbraw/zinc/54/95/79/324549579.db2.gz SNBIKXSCIJXEAK-LBPRGKRZSA-N 2 0 241.379 0.520 20 0 BCADRP c1ncn([C@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000346825725 355126704 /nfs/dbraw/zinc/12/67/04/355126704.db2.gz LKDQNMDYZUSJGR-OLZOCXBDSA-N 2 0 249.362 0.915 20 0 BCADRP C[C@@H](O)C[N@@H+]1CCN(CC(C)(C)[NH3+])C[C@H]1C ZINC000346848356 355136515 /nfs/dbraw/zinc/13/65/15/355136515.db2.gz QEKDCJGSPKVHKE-GHMZBOCLSA-N 2 0 229.368 0.111 20 0 BCADRP NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346850246 355138201 /nfs/dbraw/zinc/13/82/01/355138201.db2.gz PUJYHNBPWYFGTG-RYUDHWBXSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000366964947 355181293 /nfs/dbraw/zinc/18/12/93/355181293.db2.gz YQRWGXQSRXSRKH-NAKRPEOUSA-N 2 0 243.326 0.272 20 0 BCADRP C[NH+]1CCC(N2CCc3n[nH]cc3C2)CC1 ZINC000623238627 355383346 /nfs/dbraw/zinc/38/33/46/355383346.db2.gz NXADVBIPDBWECN-UHFFFAOYSA-N 2 0 220.320 0.862 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414669472 191544014 /nfs/dbraw/zinc/54/40/14/191544014.db2.gz BKRFUSNCIMTXQO-QJPTWQEYSA-N 2 0 240.347 0.869 20 0 BCADRP NC(=[NH2+])NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000356051198 181191549 /nfs/dbraw/zinc/19/15/49/181191549.db2.gz KCOGINFUVUYWJK-CYBMUJFWSA-N 2 0 248.330 0.106 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@](F)(CO)C2)CC[NH2+]1 ZINC000414761589 191563003 /nfs/dbraw/zinc/56/30/03/191563003.db2.gz JNRLDTYUOGSXOG-WOPDTQHZSA-N 2 0 230.327 0.781 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000335820994 355539377 /nfs/dbraw/zinc/53/93/77/355539377.db2.gz HNRNNKKJZFBCPB-WDEREUQCSA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@H](C(=O)N[C@@H](C)CC[NH3+])[NH+](CC)CC ZINC000349967552 355546910 /nfs/dbraw/zinc/54/69/10/355546910.db2.gz UGJKGCJQWUQUDY-WDEREUQCSA-N 2 0 229.368 0.960 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000349987620 355547003 /nfs/dbraw/zinc/54/70/03/355547003.db2.gz LUQLCDKQOBSGHI-FOGDFJRCSA-N 2 0 227.352 0.748 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000335829749 355555100 /nfs/dbraw/zinc/55/51/00/355555100.db2.gz URTHGTBFDIMSRS-VXGBXAGGSA-N 2 0 233.315 0.507 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH3+])C[C@@H]1C ZINC000335840527 355584215 /nfs/dbraw/zinc/58/42/15/355584215.db2.gz NOUYRNHHXIAQIU-VHSXEESVSA-N 2 0 213.325 0.276 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000349984340 355569877 /nfs/dbraw/zinc/56/98/77/355569877.db2.gz DCOUWQNABKRDJC-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417002707 191773168 /nfs/dbraw/zinc/77/31/68/191773168.db2.gz GJSRKYIRJNKVHZ-OUAUKWLOSA-N 2 0 244.383 0.752 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)NCCC[NH2+]C ZINC000417004827 191773248 /nfs/dbraw/zinc/77/32/48/191773248.db2.gz IEUBTVDUZGAWTB-LLVKDONJSA-N 2 0 244.383 0.625 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000417303381 191787569 /nfs/dbraw/zinc/78/75/69/191787569.db2.gz SHUPQAROIWFKTB-GHMZBOCLSA-N 2 0 242.367 0.378 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@H](C)CC[NH+](C)C ZINC000417315840 191787869 /nfs/dbraw/zinc/78/78/69/191787869.db2.gz DDOMAIBLFMOBJU-WDEREUQCSA-N 2 0 244.383 0.481 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H](C)OC ZINC000166596082 355709808 /nfs/dbraw/zinc/70/98/08/355709808.db2.gz RTXGJCXKPJZTNO-NWDGAFQWSA-N 2 0 232.368 0.968 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)CCC1 ZINC000335886817 355677929 /nfs/dbraw/zinc/67/79/29/355677929.db2.gz MGCNCQSKWHSTBB-JTQLQIEISA-N 2 0 237.347 0.374 20 0 BCADRP C[C@@H](O)C1([NH2+][C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000639329212 355742183 /nfs/dbraw/zinc/74/21/83/355742183.db2.gz VSYMSKNIDSWPMF-MXWKQRLJSA-N 2 0 212.337 0.972 20 0 BCADRP O[C@H](C[NH2+][C@@H]1CCSC1)C[NH+]1CCCC1 ZINC000166813845 355851129 /nfs/dbraw/zinc/85/11/29/355851129.db2.gz UXLPJMGKDSMZBV-GHMZBOCLSA-N 2 0 230.377 0.538 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC(C)(C)CC[NH3+] ZINC000584349494 355859047 /nfs/dbraw/zinc/85/90/47/355859047.db2.gz WXDOHSPHYZGIBI-RKDXNWHRSA-N 2 0 230.356 0.539 20 0 BCADRP NC(=O)C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000134490268 181216448 /nfs/dbraw/zinc/21/64/48/181216448.db2.gz MULCNYKFCFVAAM-UHFFFAOYSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCCC[NH+](C)C)C1 ZINC000167379152 355986988 /nfs/dbraw/zinc/98/69/88/355986988.db2.gz QSQIIHPWWANTLC-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)N[C@H](C)CC[NH3+] ZINC000417818950 191930927 /nfs/dbraw/zinc/93/09/27/191930927.db2.gz SURCBQOUXAMJRQ-LLVKDONJSA-N 2 0 244.383 0.755 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000417809663 191932676 /nfs/dbraw/zinc/93/26/76/191932676.db2.gz HDSPTRWATWHNGW-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417836399 191934109 /nfs/dbraw/zinc/93/41/09/191934109.db2.gz OPIQRNATWYHYCE-ONGXEEELSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CC1CC[NH2+]CC1 ZINC000417846809 191937343 /nfs/dbraw/zinc/93/73/43/191937343.db2.gz UEQWBDJAFXQQKW-NSHDSACASA-N 2 0 241.379 0.866 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH2+]C1)C(C)C ZINC000167200080 355969395 /nfs/dbraw/zinc/96/93/95/355969395.db2.gz VAPZJBPQGBBNLQ-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)C[NH2+]CC1CC1 ZINC000157465687 535295926 /nfs/dbraw/zinc/29/59/26/535295926.db2.gz DEHUKWDRMXQRJU-ZDUSSCGKSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H](C)[NH+](C)C ZINC000418257949 192005128 /nfs/dbraw/zinc/00/51/28/192005128.db2.gz NCZJCOMPDMUXGG-UWVGGRQHSA-N 2 0 230.356 0.219 20 0 BCADRP CCC[NH2+]CCNC(=O)NC[C@H](C)[NH+](C)C ZINC000418256306 192005862 /nfs/dbraw/zinc/00/58/62/192005862.db2.gz MJDVNFGZTMUEMW-JTQLQIEISA-N 2 0 230.356 0.235 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](C)[NH+](C)C ZINC000418257285 192005947 /nfs/dbraw/zinc/00/59/47/192005947.db2.gz MVXGLJISWMJPCE-QWRGUYRKSA-N 2 0 244.383 0.753 20 0 BCADRP C[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000418259728 192006266 /nfs/dbraw/zinc/00/62/66/192006266.db2.gz ONTUXKCMDVTORP-WDEREUQCSA-N 2 0 242.367 0.378 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H](C)[NH+](C)C ZINC000418248941 192006289 /nfs/dbraw/zinc/00/62/89/192006289.db2.gz FTBLCTMRUJAJCQ-WDEREUQCSA-N 2 0 244.383 0.609 20 0 BCADRP C[C@@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[NH+](C)C ZINC000418248982 192006426 /nfs/dbraw/zinc/00/64/26/192006426.db2.gz FWDXHKAQXBUNSA-OUAUKWLOSA-N 2 0 242.367 0.328 20 0 BCADRP C[C@@H](CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[NH+](C)C ZINC000418250529 192007536 /nfs/dbraw/zinc/00/75/36/192007536.db2.gz HEUYZFDSWCDIII-GARJFASQSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H](CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1)[NH+](C)C ZINC000418250528 192007679 /nfs/dbraw/zinc/00/76/79/192007679.db2.gz HEUYZFDSWCDIII-DCAQKATOSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@H](C[NH3+])NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418283351 192014195 /nfs/dbraw/zinc/01/41/95/192014195.db2.gz KFTRYHHAHKDZAH-SNVBAGLBSA-N 2 0 242.367 0.685 20 0 BCADRP C[NH2+]CCCNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000418277330 192011680 /nfs/dbraw/zinc/01/16/80/192011680.db2.gz IDJPQQVVUYGHIS-PHIMTYICSA-N 2 0 242.367 0.330 20 0 BCADRP CC(C)(C[NH+]1CCCC1)NC(=O)NCC[NH3+] ZINC000418294205 192019167 /nfs/dbraw/zinc/01/91/67/192019167.db2.gz HAGSRPWRYCXEOU-UHFFFAOYSA-N 2 0 228.340 0.119 20 0 BCADRP [NH3+]CCNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418297233 192019846 /nfs/dbraw/zinc/01/98/46/192019846.db2.gz NIPGSMFEKHDTHW-LBPRGKRZSA-N 2 0 248.330 0.131 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCCC[NH3+])C1 ZINC000418306446 192020823 /nfs/dbraw/zinc/02/08/23/192020823.db2.gz BCUDXODEZJMNAD-LLVKDONJSA-N 2 0 242.367 0.461 20 0 BCADRP C[NH+](C)CCN(C(=O)NCC[NH3+])C1CCCC1 ZINC000418305870 192021546 /nfs/dbraw/zinc/02/15/46/192021546.db2.gz PKYVPGPRINEEKN-UHFFFAOYSA-N 2 0 242.367 0.461 20 0 BCADRP C[NH2+]CCCNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000418312690 192022112 /nfs/dbraw/zinc/02/21/12/192022112.db2.gz UMANZHSHQVZBCV-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP CCC[NH2+]CCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418311431 192022198 /nfs/dbraw/zinc/02/21/98/192022198.db2.gz FPFIDWVSVUSNCY-LLVKDONJSA-N 2 0 242.367 0.285 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418313956 192022865 /nfs/dbraw/zinc/02/28/65/192022865.db2.gz DAAUTHKTZUBZQJ-LLVKDONJSA-N 2 0 242.367 0.413 20 0 BCADRP C[NH2+]CCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418314748 192022967 /nfs/dbraw/zinc/02/29/67/192022967.db2.gz FZITXACJOCETPL-UWVGGRQHSA-N 2 0 228.340 0.023 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000418320737 192024305 /nfs/dbraw/zinc/02/43/05/192024305.db2.gz WMTPBCSXFKATQR-JTQLQIEISA-N 2 0 230.356 0.269 20 0 BCADRP O=C(NCCC[NH2+]C1CC1)NC[C@H]1CCC[NH2+]1 ZINC000418284430 192014419 /nfs/dbraw/zinc/01/44/19/192014419.db2.gz BVBBQIIPAZIHAO-LLVKDONJSA-N 2 0 240.351 0.180 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)NCCC[NH2+]C1CC1 ZINC000418286139 192014523 /nfs/dbraw/zinc/01/45/23/192014523.db2.gz HABQYEDGXNFFLS-SNVBAGLBSA-N 2 0 242.367 0.283 20 0 BCADRP [NH3+][C@H](CNC(=O)NCCC[NH2+]C1CC1)C1CC1 ZINC000418290424 192016505 /nfs/dbraw/zinc/01/65/05/192016505.db2.gz REUOFGGATCJOKD-LLVKDONJSA-N 2 0 240.351 0.165 20 0 BCADRP CC(C)([NH3+])CNC(=O)NCCC[NH2+]C1CC1 ZINC000418292645 192017377 /nfs/dbraw/zinc/01/73/77/192017377.db2.gz YLUNRYDRKKOLIL-UHFFFAOYSA-N 2 0 228.340 0.165 20 0 BCADRP CCCN(CC[NH+]1CCCC1)C(=O)NCC[NH3+] ZINC000418293429 192018028 /nfs/dbraw/zinc/01/80/28/192018028.db2.gz FQZUMIMZHPLCBQ-UHFFFAOYSA-N 2 0 242.367 0.463 20 0 BCADRP Cn1cncc1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000639457224 356242202 /nfs/dbraw/zinc/24/22/02/356242202.db2.gz QSEGXHYFPOAKBG-PHIMTYICSA-N 2 0 220.320 0.114 20 0 BCADRP NC[C@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420293222 192204026 /nfs/dbraw/zinc/20/40/26/192204026.db2.gz MVNDYNRSTGLXBZ-NWDGAFQWSA-N 2 0 211.353 0.799 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000420296239 192205793 /nfs/dbraw/zinc/20/57/93/192205793.db2.gz WWFOSMXLUJWVLR-QWRGUYRKSA-N 2 0 228.336 0.997 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000420296240 192205918 /nfs/dbraw/zinc/20/59/18/192205918.db2.gz WWFOSMXLUJWVLR-WDEREUQCSA-N 2 0 228.336 0.997 20 0 BCADRP CC[C@@H](C(N)=O)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420320689 192195916 /nfs/dbraw/zinc/19/59/16/192195916.db2.gz UMIDFQKTANSIGI-RYUDHWBXSA-N 2 0 239.363 0.572 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000333495710 356294908 /nfs/dbraw/zinc/29/49/08/356294908.db2.gz CUNXPRJMOAYIPS-VHSXEESVSA-N 2 0 225.336 0.243 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000333495707 356294915 /nfs/dbraw/zinc/29/49/15/356294915.db2.gz CUNXPRJMOAYIPS-UWVGGRQHSA-N 2 0 225.336 0.243 20 0 BCADRP CC1(C)CN(C(=O)N[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000333742107 356304486 /nfs/dbraw/zinc/30/44/86/356304486.db2.gz XSKKZBZWLHNBBE-SNVBAGLBSA-N 2 0 240.351 0.132 20 0 BCADRP CCN(C)C(=O)CC[N@H+](C)CC(C)(C)C[NH3+] ZINC000420282978 192200433 /nfs/dbraw/zinc/20/04/33/192200433.db2.gz BNGNCYNVWZYLSD-UHFFFAOYSA-N 2 0 229.368 0.772 20 0 BCADRP CCOC(=O)CC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420291932 192202745 /nfs/dbraw/zinc/20/27/45/192202745.db2.gz OPFFSRDJMUQDAM-WDEREUQCSA-N 2 0 228.336 0.999 20 0 BCADRP COC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000420295270 192203296 /nfs/dbraw/zinc/20/32/96/192203296.db2.gz CCGJIAPFDYQIIW-STQMWFEESA-N 2 0 242.363 0.723 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420337362 192214672 /nfs/dbraw/zinc/21/46/72/192214672.db2.gz WUAOEDCKQNFIIO-OLZOCXBDSA-N 3 0 225.380 0.917 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)[C@@H](C)CN1 ZINC000420332797 192214989 /nfs/dbraw/zinc/21/49/89/192214989.db2.gz BZAXWAKKLXTNRQ-WOPDTQHZSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@@H]1CCN(CCOCC[NH3+])[C@H](C[NH3+])C1 ZINC000420344721 192215349 /nfs/dbraw/zinc/21/53/49/192215349.db2.gz UJMONSZXPOQMNJ-MNOVXSKESA-N 2 0 215.341 0.021 20 0 BCADRP C[C@@H]1CCN(CCOCC[NH3+])[C@@H](C[NH3+])C1 ZINC000420344720 192215420 /nfs/dbraw/zinc/21/54/20/192215420.db2.gz UJMONSZXPOQMNJ-GHMZBOCLSA-N 2 0 215.341 0.021 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C1([NH3+])CC1 ZINC000336426025 356368115 /nfs/dbraw/zinc/36/81/15/356368115.db2.gz OGYKQVOEMZNVGA-SECBINFHSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[C@@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000420352695 192218166 /nfs/dbraw/zinc/21/81/66/192218166.db2.gz ASRPYOLJUSKZRU-NSHDSACASA-N 2 0 216.325 0.319 20 0 BCADRP COC[C@](C)(CCO)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420307166 192209018 /nfs/dbraw/zinc/20/90/18/192209018.db2.gz RIAOJQMKBPPCTH-STQMWFEESA-N 2 0 244.379 0.753 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420309694 192211089 /nfs/dbraw/zinc/21/10/89/192211089.db2.gz FBOOAVCIVIXEDD-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420311169 192211722 /nfs/dbraw/zinc/21/17/22/192211722.db2.gz GYSGYLZOWXPNRR-GHMZBOCLSA-N 2 0 226.320 0.481 20 0 BCADRP COC[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000420368280 192225716 /nfs/dbraw/zinc/22/57/16/192225716.db2.gz HYFUISVWYGQKOI-XQQFMLRXSA-N 2 0 242.363 0.722 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000336471196 356376860 /nfs/dbraw/zinc/37/68/60/356376860.db2.gz BJPKRSCBUSKXIF-GFCCVEGCSA-N 2 0 239.363 0.492 20 0 BCADRP COC(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420328445 192230149 /nfs/dbraw/zinc/23/01/49/192230149.db2.gz MNHRDHZHCVZLLC-NWDGAFQWSA-N 2 0 240.347 0.871 20 0 BCADRP CCC[C@@H]1C(=O)NCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420360743 192221931 /nfs/dbraw/zinc/22/19/31/192221931.db2.gz MCVGGNLAFJMUNF-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP COC(=O)CC[N@H+](CC(C)C)C[C@@H](C)[NH3+] ZINC000420361903 192223059 /nfs/dbraw/zinc/22/30/59/192223059.db2.gz NSNKBLJOLWPYKY-SNVBAGLBSA-N 2 0 216.325 0.855 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000420363876 192223361 /nfs/dbraw/zinc/22/33/61/192223361.db2.gz PXXXLVSECNETEN-SNVBAGLBSA-N 2 0 214.309 0.481 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC000420363875 192224779 /nfs/dbraw/zinc/22/47/79/192224779.db2.gz PXXXLVSECNETEN-JTQLQIEISA-N 2 0 214.309 0.481 20 0 BCADRP CC(C)C(=O)NCC[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420367577 192225483 /nfs/dbraw/zinc/22/54/83/192225483.db2.gz HBYVDNZZBWSKJT-GFCCVEGCSA-N 2 0 241.379 0.690 20 0 BCADRP COC[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000420368277 192225668 /nfs/dbraw/zinc/22/56/68/192225668.db2.gz HYFUISVWYGQKOI-AVGNSLFASA-N 2 0 242.363 0.722 20 0 BCADRP CC[NH+](CC)CCCN1CCCO[C@H](C[NH3+])C1 ZINC000420387549 192234707 /nfs/dbraw/zinc/23/47/07/192234707.db2.gz KGFFJSWQNVQLCG-CYBMUJFWSA-N 2 0 243.395 0.768 20 0 BCADRP CCC(CC)(C[NH2+]C[C@H](C)[NH3+])C(=O)OC ZINC000420381569 192235330 /nfs/dbraw/zinc/23/53/30/192235330.db2.gz XZMFOFLJWSHOJO-VIFPVBQESA-N 2 0 216.325 0.903 20 0 BCADRP C[NH2+]CCCN(C)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000420395877 192237653 /nfs/dbraw/zinc/23/76/53/192237653.db2.gz UTFYLYHWDFNBFK-BETUJISGSA-N 2 0 241.379 0.391 20 0 BCADRP CCN(C(=O)N(CCC[NH3+])CCC[NH3+])C(C)C ZINC000420455080 192242915 /nfs/dbraw/zinc/24/29/15/192242915.db2.gz MDZHNNWCXRFCGX-UHFFFAOYSA-N 2 0 244.383 0.836 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420419823 192240365 /nfs/dbraw/zinc/24/03/65/192240365.db2.gz XUOIFFHXSALCEW-NWDGAFQWSA-N 2 0 241.379 0.772 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420419824 192240859 /nfs/dbraw/zinc/24/08/59/192240859.db2.gz XUOIFFHXSALCEW-RYUDHWBXSA-N 2 0 241.379 0.772 20 0 BCADRP C[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000420415821 192241263 /nfs/dbraw/zinc/24/12/63/192241263.db2.gz VIKCKHBHBULERH-JHJVBQTASA-N 3 0 225.380 0.903 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCN(C)C[C@@H]1CC ZINC000580351856 356429846 /nfs/dbraw/zinc/42/98/46/356429846.db2.gz UYUMAJGSYUHGEO-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP CCN1CCC[N@H+](CC[C@H]2CC[NH2+]C2)CC1=O ZINC000420380868 192233112 /nfs/dbraw/zinc/23/31/12/192233112.db2.gz WYBMOSYAYHHDQW-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000019409111 356482759 /nfs/dbraw/zinc/48/27/59/356482759.db2.gz NJOWXDVSRBOVSK-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@H](C)[NH3+])C1 ZINC000309365495 491093877 /nfs/dbraw/zinc/09/38/77/491093877.db2.gz BBHPGCCUFCCGIK-IVZWLZJFSA-N 2 0 213.325 0.310 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000336169322 134114147 /nfs/dbraw/zinc/11/41/47/134114147.db2.gz GSDDQIQYQLJTTC-WDEREUQCSA-N 2 0 225.336 0.326 20 0 BCADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C(=O)NC)C1 ZINC000420968347 192284389 /nfs/dbraw/zinc/28/43/89/192284389.db2.gz BPKSLYAABSPQJI-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP CC(=O)CN1CCN(c2ncc[nH]2)CC1 ZINC000639629180 356544044 /nfs/dbraw/zinc/54/40/44/356544044.db2.gz RHIRHUVZDFWZFM-UHFFFAOYSA-N 2 0 208.265 0.121 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000578130483 366291502 /nfs/dbraw/zinc/29/15/02/366291502.db2.gz MVFTVTHGMVRHNQ-GARJFASQSA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000578130485 366291546 /nfs/dbraw/zinc/29/15/46/366291546.db2.gz MVFTVTHGMVRHNQ-HBNTYKKESA-N 2 0 225.336 0.180 20 0 BCADRP CC[C@H](N[C@H]1CC[N@H+](CC)C[C@H]1C)C(=O)NC ZINC000449780777 202035811 /nfs/dbraw/zinc/03/58/11/202035811.db2.gz VOZHCVBSFJVVSS-WOPDTQHZSA-N 2 0 241.379 0.831 20 0 BCADRP CN(C(=O)CCC1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000179769126 366301305 /nfs/dbraw/zinc/30/13/05/366301305.db2.gz KGVQRLXXNZNHOA-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000422925109 192509177 /nfs/dbraw/zinc/50/91/77/192509177.db2.gz ZQYPNJBWYFFVJJ-MNOVXSKESA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)NC(C)(C)C[NH3+])C[NH2+]1 ZINC000627205451 363502103 /nfs/dbraw/zinc/50/21/03/363502103.db2.gz AANLPEWYSMHUII-RKDXNWHRSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC000627207753 363503724 /nfs/dbraw/zinc/50/37/24/363503724.db2.gz TVFRCTVDVYIPDG-AXFHLTTASA-N 2 0 240.351 0.130 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)N2CCC[C@@H]([NH3+])C2)C[NH2+]1 ZINC000627208446 363504487 /nfs/dbraw/zinc/50/44/87/363504487.db2.gz XPXYRMXEWLNEFB-AXFHLTTASA-N 2 0 240.351 0.260 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H]([NH3+])C2)C[NH2+]1 ZINC000627208448 363504679 /nfs/dbraw/zinc/50/46/79/363504679.db2.gz XPXYRMXEWLNEFB-GMTAPVOTSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)NC(C)(C)CC[NH3+])C[NH2+]1 ZINC000627208569 363504727 /nfs/dbraw/zinc/50/47/27/363504727.db2.gz AUBWBGHVVCJTLH-VHSXEESVSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)N[C@@]2(C)CC[NH2+]C2)C[NH2+]1 ZINC000627210366 363505567 /nfs/dbraw/zinc/50/55/67/363505567.db2.gz PUCTWNFOCCAANA-FOGDFJRCSA-N 2 0 240.351 0.178 20 0 BCADRP [NH3+]CC1CCC([NH2+]CCn2cccn2)CC1 ZINC000422989451 192520707 /nfs/dbraw/zinc/52/07/07/192520707.db2.gz LVMLVSBXRUCYGA-UHFFFAOYSA-N 2 0 222.336 0.990 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[NH+](C)C ZINC000261806441 535324007 /nfs/dbraw/zinc/32/40/07/535324007.db2.gz MFZBVDHPIVWYML-GRYCIOLGSA-N 2 0 241.379 0.768 20 0 BCADRP CNC(=O)C(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000346651468 134153152 /nfs/dbraw/zinc/15/31/52/134153152.db2.gz SNWOXYOXYNIUJT-MNOVXSKESA-N 2 0 241.379 0.688 20 0 BCADRP C([C@H]1CCCCO1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287488 356654447 /nfs/dbraw/zinc/65/44/47/356654447.db2.gz KMTXAAMTLRHZFX-GRYCIOLGSA-N 2 0 210.321 0.707 20 0 BCADRP CC[C@H](C)NC(=O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287604 356657091 /nfs/dbraw/zinc/65/70/91/356657091.db2.gz GBHDGDYMZWOKKP-HBNTYKKESA-N 2 0 225.336 0.052 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632874067 356659173 /nfs/dbraw/zinc/65/91/73/356659173.db2.gz DDTIRRCAGVRGBS-BJDJZHNGSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@@H](C[N@@H+]1CCC[C@@](O)(CN(C)C)C1)OC ZINC000639760863 356675823 /nfs/dbraw/zinc/67/58/23/356675823.db2.gz BWKPDESOHXDBRN-QWHCGFSZSA-N 2 0 244.379 0.800 20 0 BCADRP C[C@H](O)CCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761862 356679135 /nfs/dbraw/zinc/67/91/35/356679135.db2.gz FMTAQFZVIKYROW-STQMWFEESA-N 2 0 244.379 0.536 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000582248204 356679458 /nfs/dbraw/zinc/67/94/58/356679458.db2.gz OYOJCKPYTWWGAL-MNOVXSKESA-N 2 0 240.351 0.117 20 0 BCADRP C[NH+](C)CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000167917086 134154533 /nfs/dbraw/zinc/15/45/33/134154533.db2.gz RJCSHJOKSAYMDB-LLVKDONJSA-N 2 0 221.304 0.364 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000167896277 134154638 /nfs/dbraw/zinc/15/46/38/134154638.db2.gz ZJGORJDUSXVJAH-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000035663362 356705143 /nfs/dbraw/zinc/70/51/43/356705143.db2.gz LUAWBCJOSIIFID-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335624 356721977 /nfs/dbraw/zinc/72/19/77/356721977.db2.gz WCSXWLPRYVEPJA-NXEZZACHSA-N 2 0 200.326 0.830 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]CCCO)CC1(C)C ZINC000623336484 356724010 /nfs/dbraw/zinc/72/40/10/356724010.db2.gz QPKOOBBDMPMRKA-JTQLQIEISA-N 2 0 200.326 0.831 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)[C@H](C)O ZINC000578186550 366369187 /nfs/dbraw/zinc/36/91/87/366369187.db2.gz YASLWDIDZOUMPR-QWRGUYRKSA-N 2 0 218.341 0.314 20 0 BCADRP Cn1ccc(C[NH2+]CCN2CC[C@@H](O)C2)c1 ZINC000623758974 356820156 /nfs/dbraw/zinc/82/01/56/356820156.db2.gz UZIXMFFIYWGBAI-GFCCVEGCSA-N 2 0 223.320 0.181 20 0 BCADRP CC[NH+](CCO)[C@@H](C)CC[N@H+](CC)CCO ZINC000155753164 538730591 /nfs/dbraw/zinc/73/05/91/538730591.db2.gz CJMXCRFMRCNAHF-LBPRGKRZSA-N 2 0 232.368 0.393 20 0 BCADRP CCO[C@@H]1COC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000423169069 192603454 /nfs/dbraw/zinc/60/34/54/192603454.db2.gz YZIOZDSVSYZLAT-FIYWTHMPSA-N 2 0 242.363 0.897 20 0 BCADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)C1CC1 ZINC000423178532 192610306 /nfs/dbraw/zinc/61/03/06/192610306.db2.gz KWPCXCUATBKXOW-LLVKDONJSA-N 2 0 211.353 0.670 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC000041679603 358512836 /nfs/dbraw/zinc/51/28/36/358512836.db2.gz JGQOTDUYIBQJHT-LLVKDONJSA-N 2 0 229.368 0.818 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360815666 356911942 /nfs/dbraw/zinc/91/19/42/356911942.db2.gz DSKRARZLMGAGKN-DGCLKSJQSA-N 2 0 239.363 0.716 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC000041679597 358512979 /nfs/dbraw/zinc/51/29/79/358512979.db2.gz JVOOZVDVLILLDH-JTQLQIEISA-N 2 0 247.408 0.525 20 0 BCADRP CCN1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362361672 356944350 /nfs/dbraw/zinc/94/43/50/356944350.db2.gz ZGOVKOJUUZYEJA-NEPJUHHUSA-N 2 0 239.363 0.348 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCCN2CC[NH2+]CC2)[C@H]1C ZINC000423193823 192620831 /nfs/dbraw/zinc/62/08/31/192620831.db2.gz XFIZVBRUZDETNK-AGIUHOORSA-N 2 0 225.380 0.916 20 0 BCADRP C(CN1CC[NH2+]CC1)[NH2+][C@H]1CCC12CCC2 ZINC000423202431 192626634 /nfs/dbraw/zinc/62/66/34/192626634.db2.gz KQSLIXHNZXYXRB-LBPRGKRZSA-N 2 0 223.364 0.814 20 0 BCADRP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000130701225 325081285 /nfs/dbraw/zinc/08/12/85/325081285.db2.gz DANMYNRTBPDZLK-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](C)C[C@H]1CO ZINC000639871940 357040113 /nfs/dbraw/zinc/04/01/13/357040113.db2.gz MHEDWEKRFZDYTC-STQMWFEESA-N 2 0 241.379 0.079 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000582302353 357040141 /nfs/dbraw/zinc/04/01/41/357040141.db2.gz QQYRSARCSQJMGI-IVZWLZJFSA-N 2 0 227.352 0.556 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000582302356 357040414 /nfs/dbraw/zinc/04/04/14/357040414.db2.gz QQYRSARCSQJMGI-OPRDCNLKSA-N 2 0 227.352 0.556 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000582301938 357040421 /nfs/dbraw/zinc/04/04/21/357040421.db2.gz IKAYVSHZALVLEX-KXUCPTDWSA-N 2 0 213.325 0.213 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)CCC[NH3+] ZINC000389644872 357008639 /nfs/dbraw/zinc/00/86/39/357008639.db2.gz SGNFHODRWKDOKK-UHFFFAOYSA-N 2 0 201.314 0.359 20 0 BCADRP [NH3+]CCCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000389649193 357008856 /nfs/dbraw/zinc/00/88/56/357008856.db2.gz UZFZEJJHSGORTK-NXEZZACHSA-N 2 0 213.325 0.359 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000390551796 357103884 /nfs/dbraw/zinc/10/38/84/357103884.db2.gz PALHZUGCELLTOC-SECBINFHSA-N 2 0 213.325 0.039 20 0 BCADRP C[NH2+]CCCC(=O)N(C)CC(C)(C)[NH3+] ZINC000662605063 491107062 /nfs/dbraw/zinc/10/70/62/491107062.db2.gz KSFOPRIJRNOGAV-UHFFFAOYSA-N 2 0 201.314 0.182 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000390614816 357107712 /nfs/dbraw/zinc/10/77/12/357107712.db2.gz GNVWMHMPTFNPOZ-IVZWLZJFSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](NC[C@@H]1CCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000423241700 192647146 /nfs/dbraw/zinc/64/71/46/192647146.db2.gz VFTRVJCMGOJYQE-WOPDTQHZSA-N 2 0 211.353 0.859 20 0 BCADRP CCC[NH2+]CCNC(=O)CCCC[NH3+] ZINC000389935749 357070850 /nfs/dbraw/zinc/07/08/50/357070850.db2.gz MWEOXEYLBYXCHK-UHFFFAOYSA-N 2 0 201.314 0.231 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000390468124 357094364 /nfs/dbraw/zinc/09/43/64/357094364.db2.gz IKJYCTXVZFAWPR-LPEHRKFASA-N 2 0 213.325 0.226 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000390468123 357094425 /nfs/dbraw/zinc/09/44/25/357094425.db2.gz IKJYCTXVZFAWPR-IVZWLZJFSA-N 2 0 213.325 0.226 20 0 BCADRP CO[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254892 192654876 /nfs/dbraw/zinc/65/48/76/192654876.db2.gz ZVQDDLJYPGRZGT-MXWKQRLJSA-N 2 0 200.326 0.999 20 0 BCADRP O=C(C[NH2+]CC1CC1)NCC[C@H]1CC[NH2+]C1 ZINC000582419200 357142850 /nfs/dbraw/zinc/14/28/50/357142850.db2.gz PLPIHWPVZNXPTE-LLVKDONJSA-N 2 0 225.336 0.102 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)C1CC[NH2+]CC1 ZINC000582419177 357142929 /nfs/dbraw/zinc/14/29/29/357142929.db2.gz OMDMTRXMRPHIDS-UWVGGRQHSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000582419789 357143026 /nfs/dbraw/zinc/14/30/26/357143026.db2.gz HLVKSBVXNPWWBM-SCVCMEIPSA-N 2 0 235.331 0.408 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000582419788 357143296 /nfs/dbraw/zinc/14/32/96/357143296.db2.gz HLVKSBVXNPWWBM-NHCYSSNCSA-N 2 0 235.331 0.408 20 0 BCADRP Cc1nc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)n[nH]1 ZINC000392360974 357147724 /nfs/dbraw/zinc/14/77/24/357147724.db2.gz BGKPTGSJJONGGJ-UWVGGRQHSA-N 2 0 223.324 0.515 20 0 BCADRP [NH3+][C@H]1CCC[C@H](CNC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000582432051 357148721 /nfs/dbraw/zinc/14/87/21/357148721.db2.gz BKMUCTYAZAZDOT-DCAQKATOSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000423244858 192648979 /nfs/dbraw/zinc/64/89/79/192648979.db2.gz XWMOPMZQAUYLGW-IJLUTSLNSA-N 2 0 223.364 0.953 20 0 BCADRP CC1(C)CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC[C@H]1[NH3+] ZINC000374619202 357165215 /nfs/dbraw/zinc/16/52/15/357165215.db2.gz NNTDJFJDTLHKRL-IVZWLZJFSA-N 2 0 243.326 0.272 20 0 BCADRP CS(=O)(=O)C1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000393685969 357292496 /nfs/dbraw/zinc/29/24/96/357292496.db2.gz QCMGUIHPGMVEDQ-UWVGGRQHSA-N 2 0 246.376 0.423 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC(=O)NCC(F)F)C1 ZINC000393688002 357292771 /nfs/dbraw/zinc/29/27/71/357292771.db2.gz IHVWGSZCXQLHAM-SFYZADRCSA-N 2 0 235.278 0.227 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000393808212 357301188 /nfs/dbraw/zinc/30/11/88/357301188.db2.gz ROGOEDCXUPZOQJ-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NC(C)(C)CCC[NH3+] ZINC000393917994 357306824 /nfs/dbraw/zinc/30/68/24/357306824.db2.gz NPOPORBACMZZDM-DTWKUNHWSA-N 2 0 215.341 0.603 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)NCC[N@H+]1CC=CCC1 ZINC000392840030 357245452 /nfs/dbraw/zinc/24/54/52/357245452.db2.gz RCLGNWFXNFAMLW-LBPRGKRZSA-N 2 0 237.347 0.507 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000392857764 357253939 /nfs/dbraw/zinc/25/39/39/357253939.db2.gz MNOYPDXYXOHCGB-NSHDSACASA-N 2 0 225.336 0.348 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC000392969296 357266193 /nfs/dbraw/zinc/26/61/93/357266193.db2.gz BWIYAEASINMFAO-WDEREUQCSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH2+]CCNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000418315944 357268701 /nfs/dbraw/zinc/26/87/01/357268701.db2.gz IZQMJWNSUJVKIP-UHFFFAOYSA-N 2 0 242.367 0.379 20 0 BCADRP CC1CCC([NH2+]CC(=O)N2CC[NH2+]CC2)CC1 ZINC000582719856 357370375 /nfs/dbraw/zinc/37/03/75/357370375.db2.gz ZHARERSYJDEMIF-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@H](C(=O)NCC1([NH3+])CCCC1)C1CCC1 ZINC000662648130 491110250 /nfs/dbraw/zinc/11/02/50/491110250.db2.gz FIBOXHYSPHLMOW-JTQLQIEISA-N 2 0 225.336 0.502 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000582488065 357318444 /nfs/dbraw/zinc/31/84/44/357318444.db2.gz PSWOBNAYINWJPU-JOYOIKCWSA-N 2 0 246.314 0.318 20 0 BCADRP CN(CCC[NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000584362539 357327829 /nfs/dbraw/zinc/32/78/29/357327829.db2.gz GKFWIVJIDUPJIK-LBPRGKRZSA-N 2 0 242.367 0.366 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C1(C)C[NH2+]C1 ZINC000582545043 357330975 /nfs/dbraw/zinc/33/09/75/357330975.db2.gz JXQWYBJJDKWJDW-UHFFFAOYSA-N 2 0 213.325 0.100 20 0 BCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH2+]C ZINC000394261674 357342006 /nfs/dbraw/zinc/34/20/06/357342006.db2.gz MHVPLPMPLSZSBP-TUAOUCFPSA-N 2 0 239.363 0.680 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050250057 357403827 /nfs/dbraw/zinc/40/38/27/357403827.db2.gz CAEMPCDKLQAGPT-VIFPVBQESA-N 2 0 200.282 0.220 20 0 BCADRP CC[NH2+]CCCNC(=O)CCC1CC[NH2+]CC1 ZINC000582953804 357444321 /nfs/dbraw/zinc/44/43/21/357444321.db2.gz GVQDTKBPHKNEJG-UHFFFAOYSA-N 2 0 241.379 0.882 20 0 BCADRP [NH3+]C[C@H](NC(=O)CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000582903587 357427521 /nfs/dbraw/zinc/42/75/21/357427521.db2.gz AFYTUCFFUKJAAB-ONGXEEELSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000582905902 357428626 /nfs/dbraw/zinc/42/86/26/357428626.db2.gz BZCXEAZNJAOGID-BBBLOLIVSA-N 2 0 213.325 0.357 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000582916423 357436250 /nfs/dbraw/zinc/43/62/50/357436250.db2.gz YZKXUZCEAYHMMO-WCFLWFBJSA-N 2 0 247.342 0.548 20 0 BCADRP COC1(C[NH2+]CCCN2CCC2)CCOCC1 ZINC000583153310 357496829 /nfs/dbraw/zinc/49/68/29/357496829.db2.gz LEYVGMJYOBEDOQ-UHFFFAOYSA-N 2 0 242.363 0.867 20 0 BCADRP [NH3+]CC1(O)CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000397075467 357497822 /nfs/dbraw/zinc/49/78/22/357497822.db2.gz CNWSTWBCBDEAGJ-NEPJUHHUSA-N 2 0 242.363 0.323 20 0 BCADRP [NH3+]CC1(O)CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000397075470 357498037 /nfs/dbraw/zinc/49/80/37/357498037.db2.gz CNWSTWBCBDEAGJ-RYUDHWBXSA-N 2 0 242.363 0.323 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC1=CC[NH2+]CC1 ZINC000583083456 357474043 /nfs/dbraw/zinc/47/40/43/357474043.db2.gz SGVRCQZZQOJTCJ-VHSXEESVSA-N 2 0 240.351 0.331 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)co1 ZINC000583084008 357474574 /nfs/dbraw/zinc/47/45/74/357474574.db2.gz QSCHDECQLJYQSB-WCBMZHEXSA-N 2 0 237.303 0.596 20 0 BCADRP CC(=O)NCC[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000396746358 357482162 /nfs/dbraw/zinc/48/21/62/357482162.db2.gz ZAOYOOWRINSUMZ-LLVKDONJSA-N 2 0 213.325 0.054 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000230711523 357573653 /nfs/dbraw/zinc/57/36/53/357573653.db2.gz SYBDUPYZDQDRSX-WDEREUQCSA-N 2 0 229.368 0.770 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000230711530 357574116 /nfs/dbraw/zinc/57/41/16/357574116.db2.gz SYBDUPYZDQDRSX-QWRGUYRKSA-N 2 0 229.368 0.770 20 0 BCADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000583198124 357517204 /nfs/dbraw/zinc/51/72/04/357517204.db2.gz HMJOFDOYSWLAOJ-IKSZGEOFSA-N 2 0 245.370 0.752 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000082771985 491112615 /nfs/dbraw/zinc/11/26/15/491112615.db2.gz BQMXINTYXCUQRB-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH+](C)CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC000545284750 325207162 /nfs/dbraw/zinc/20/71/62/325207162.db2.gz ZNIZMAZZVMJDSZ-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN(C)C2CC2)CS1 ZINC000397709620 357647636 /nfs/dbraw/zinc/64/76/36/357647636.db2.gz BTIBEWUQCNQDFT-SCVCMEIPSA-N 2 0 244.404 0.925 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000232624242 357669837 /nfs/dbraw/zinc/66/98/37/357669837.db2.gz YFNSSFJYKBSOEH-RYUDHWBXSA-N 2 0 241.379 0.831 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NCCOCC[NH+](C)C ZINC000232979419 357695946 /nfs/dbraw/zinc/69/59/46/357695946.db2.gz FOQZVKWSBWQQEC-LLVKDONJSA-N 2 0 245.367 0.198 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC1CC[NH+](C)CC1 ZINC000086068369 357815229 /nfs/dbraw/zinc/81/52/29/357815229.db2.gz BREXXFLTXRFASR-JTQLQIEISA-N 2 0 227.352 0.300 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000086070277 357817827 /nfs/dbraw/zinc/81/78/27/357817827.db2.gz NFRFNQJPOZEVNJ-GHMZBOCLSA-N 2 0 227.352 0.395 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000234255190 357788438 /nfs/dbraw/zinc/78/84/38/357788438.db2.gz RWVVSKHXKFPEFW-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000234808539 357831838 /nfs/dbraw/zinc/83/18/38/357831838.db2.gz NBZHROQVAUYCBM-HBNTYKKESA-N 2 0 230.352 0.489 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH3+])C1 ZINC000659521952 491115303 /nfs/dbraw/zinc/11/53/03/491115303.db2.gz XXYPPZIWJBHLGY-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP [NH3+][C@@H](C(=O)NCC[N@H+]1CC=CCC1)C1CCC1 ZINC000399052731 357894816 /nfs/dbraw/zinc/89/48/16/357894816.db2.gz WCTWMRMGGUWTJN-GFCCVEGCSA-N 2 0 237.347 0.492 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000584474991 357991188 /nfs/dbraw/zinc/99/11/88/357991188.db2.gz PRKGYIYDSLUGPG-MNOVXSKESA-N 2 0 246.376 0.168 20 0 BCADRP C[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000584479778 357996632 /nfs/dbraw/zinc/99/66/32/357996632.db2.gz GQEMCJIXOYSTBR-VIFPVBQESA-N 2 0 249.314 0.715 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000219832719 358013902 /nfs/dbraw/zinc/01/39/02/358013902.db2.gz PSZPALVKEDMEFM-AAEUAGOBSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]([NH3+])c1ccccc1C ZINC000662964230 491119391 /nfs/dbraw/zinc/11/93/91/491119391.db2.gz AOCIJWLEPDSUFN-CMPLNLGQSA-N 2 0 235.331 0.719 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000169110563 134249534 /nfs/dbraw/zinc/24/95/34/134249534.db2.gz QBTROBOTBZDKHQ-JQWIXIFHSA-N 2 0 239.363 0.714 20 0 BCADRP CN(C(=O)[C@]1(C)CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000584580432 358085738 /nfs/dbraw/zinc/08/57/38/358085738.db2.gz WBJOLPHYXFPDMJ-CMPLNLGQSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000584589393 358103007 /nfs/dbraw/zinc/10/30/07/358103007.db2.gz OZIKXNINCXGXHA-KOLCDFICSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]CC[C@@H](N[C@H]1CCC[NH2+]C1)C(F)F ZINC000584593662 358111058 /nfs/dbraw/zinc/11/10/58/358111058.db2.gz LNSSEDTWMOJNCL-JGVFFNPUSA-N 2 0 207.268 0.311 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000584721243 358161839 /nfs/dbraw/zinc/16/18/39/358161839.db2.gz LSZBOXHRHIITHJ-DGCLKSJQSA-N 2 0 235.331 0.022 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[C@H](C)[NH3+])C1 ZINC000584833765 358196399 /nfs/dbraw/zinc/19/63/99/358196399.db2.gz NYTCLSZJVQIXIG-HBNTYKKESA-N 2 0 227.352 0.426 20 0 BCADRP C[C@H](C(=O)N(CC[NH+](C)C)C1CC1)[NH+](C)C ZINC000640126173 358205281 /nfs/dbraw/zinc/20/52/81/358205281.db2.gz GEQJBDLRVSSDHG-SNVBAGLBSA-N 2 0 227.352 0.489 20 0 BCADRP [NH3+]CCCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000041043483 358241433 /nfs/dbraw/zinc/24/14/33/358241433.db2.gz CTTQVZQZQNGXKS-NSHDSACASA-N 2 0 221.304 0.542 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)CCC[NH3+])C1 ZINC000040624356 358244050 /nfs/dbraw/zinc/24/40/50/358244050.db2.gz LGTDYAXNNGUPSE-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040624493 358244237 /nfs/dbraw/zinc/24/42/37/358244237.db2.gz OGZXGRVPMIYRHT-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]CC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040624390 358244464 /nfs/dbraw/zinc/24/44/64/358244464.db2.gz RGDTWKDEEXGVPT-SNVBAGLBSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000653232632 491128496 /nfs/dbraw/zinc/12/84/96/491128496.db2.gz GLRSQOVRLCPKJW-BBBLOLIVSA-N 2 0 213.325 0.310 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000041680236 358334152 /nfs/dbraw/zinc/33/41/52/358334152.db2.gz OMIDFSDOUPBIIU-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP [NH3+]CCCNC(=O)c1ccc(C[NH3+])cc1 ZINC000042288193 358344418 /nfs/dbraw/zinc/34/44/18/358344418.db2.gz AJJYJWCNZQWFPI-UHFFFAOYSA-N 2 0 207.277 0.224 20 0 BCADRP Cn1ccc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000227220650 358352700 /nfs/dbraw/zinc/35/27/00/358352700.db2.gz UIXBZIJRACGORU-ZYHUDNBSSA-N 2 0 222.336 0.822 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(C[C@H]2CCCCO2)CCO1 ZINC000252685209 366417654 /nfs/dbraw/zinc/41/76/54/366417654.db2.gz HRHHYBPHDQBXCL-QJPTWQEYSA-N 2 0 228.336 0.604 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000044538755 358389296 /nfs/dbraw/zinc/38/92/96/358389296.db2.gz BHEGQTSVIRLPLG-LLVKDONJSA-N 2 0 239.363 0.444 20 0 BCADRP COC(=O)CCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529183 358389323 /nfs/dbraw/zinc/38/93/23/358389323.db2.gz PJIUSSNGGIDHTG-JTQLQIEISA-N 2 0 214.309 0.610 20 0 BCADRP CC[NH+]1CCC(CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000044526702 358389765 /nfs/dbraw/zinc/38/97/65/358389765.db2.gz SXNPZGJOEVKINX-LBPRGKRZSA-N 2 0 241.379 0.818 20 0 BCADRP CC[NH+]1CCC(CNC(=O)C[NH2+]C)CC1 ZINC000044526758 358390178 /nfs/dbraw/zinc/39/01/78/358390178.db2.gz FUHFXDSTMINLRD-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000044752357 358393022 /nfs/dbraw/zinc/39/30/22/358393022.db2.gz PRLICXQLUJAGHF-SNVBAGLBSA-N 2 0 227.352 0.429 20 0 BCADRP CC(C)(C[NH2+][C@H]1CCC[C@H]([NH3+])C1)C(N)=O ZINC000230382140 358398062 /nfs/dbraw/zinc/39/80/62/358398062.db2.gz OZDGVPANFKEEGR-IUCAKERBSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000309413197 358447161 /nfs/dbraw/zinc/44/71/61/358447161.db2.gz IXLVMEVWHGQXKR-KXUCPTDWSA-N 2 0 215.341 0.603 20 0 BCADRP CCN(C)C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000299997498 358421582 /nfs/dbraw/zinc/42/15/82/358421582.db2.gz UVBDZBXVOBMXEM-GARJFASQSA-N 2 0 227.352 0.713 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@H](C)CCCC[NH3+] ZINC000418418858 358432105 /nfs/dbraw/zinc/43/21/05/358432105.db2.gz YFQCEFLLMMQRIW-GHMZBOCLSA-N 2 0 244.383 0.786 20 0 BCADRP COC[C@H]([NH2+]CCOCC[NH+](C)C)C(C)C ZINC000219323377 134281373 /nfs/dbraw/zinc/28/13/73/134281373.db2.gz SCSJCWHXRIXKHO-LBPRGKRZSA-N 2 0 232.368 0.825 20 0 BCADRP CO[C@H](C)[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219314809 134281603 /nfs/dbraw/zinc/28/16/03/134281603.db2.gz CIOXDEZEOFIFMJ-GHMZBOCLSA-N 2 0 218.341 0.578 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000044808277 358554968 /nfs/dbraw/zinc/55/49/68/358554968.db2.gz JIJVATOIUIPOJK-JTQLQIEISA-N 2 0 229.368 0.674 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@H](C)C[NH3+] ZINC000044808143 358555357 /nfs/dbraw/zinc/55/53/57/358555357.db2.gz JKQBDXBGBPVFQB-LLVKDONJSA-N 2 0 229.368 0.627 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000049559626 358694864 /nfs/dbraw/zinc/69/48/64/358694864.db2.gz IQZOPSKRQROCCQ-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559776 358695406 /nfs/dbraw/zinc/69/54/06/358695406.db2.gz WOMORZQQZXYRNU-GHMZBOCLSA-N 2 0 229.368 0.960 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COCCO2)CC[N@@H+]1C ZINC000133880385 358771158 /nfs/dbraw/zinc/77/11/58/358771158.db2.gz NEOKTHDAJRDEDM-GRYCIOLGSA-N 2 0 228.336 0.474 20 0 BCADRP COC(=O)[C@H]1CCCN1CCn1ccnc1C ZINC000050048624 358710377 /nfs/dbraw/zinc/71/03/77/358710377.db2.gz AUPLJZWXGOCQDK-LLVKDONJSA-N 2 0 237.303 0.829 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000578236438 366460172 /nfs/dbraw/zinc/46/01/72/366460172.db2.gz RKCGOHUEWQBXTE-WDEREUQCSA-N 2 0 237.347 0.339 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COC)C1 ZINC000177033579 134293653 /nfs/dbraw/zinc/29/36/53/134293653.db2.gz XRQJSPVWVNZYLG-STQMWFEESA-N 2 0 244.379 0.657 20 0 BCADRP CC[C@]1(C(=O)N2CCC(C[NH3+])CC2)CCC[NH2+]1 ZINC000134365854 358788257 /nfs/dbraw/zinc/78/82/57/358788257.db2.gz FOWGBVMFJQULPR-CYBMUJFWSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH+](C)CCCCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000134552206 358795396 /nfs/dbraw/zinc/79/53/96/358795396.db2.gz XSMOCFWKWJTFAC-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH+](C)CCCCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134552180 358795468 /nfs/dbraw/zinc/79/54/68/358795468.db2.gz XSMOCFWKWJTFAC-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP CCC[NH+]1CCC([NH2+][C@@H](C)CC(N)=O)CC1 ZINC000135809818 358851977 /nfs/dbraw/zinc/85/19/77/358851977.db2.gz RCTKMCLOORACNW-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+]CCC[NH+]1CCC([C@H](C)NC(C)=O)CC1 ZINC000578324091 366512378 /nfs/dbraw/zinc/51/23/78/366512378.db2.gz OOFYTSMTBRXFRN-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@]1(C(=O)NC[C@H]([NH3+])C2CC2)CC[NH2+]C1 ZINC000137485629 358896175 /nfs/dbraw/zinc/89/61/75/358896175.db2.gz VKQZECZJOXEMSA-CMPLNLGQSA-N 2 0 225.336 0.230 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000578321512 366509992 /nfs/dbraw/zinc/50/99/92/366509992.db2.gz GFDPAQQRJZAQLZ-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+]1CCC(N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000086402728 358967110 /nfs/dbraw/zinc/96/71/10/358967110.db2.gz OATUVQZPPOPFEH-JQWIXIFHSA-N 2 0 211.353 0.940 20 0 BCADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C(=O)N(C)C ZINC000086402898 358967432 /nfs/dbraw/zinc/96/74/32/358967432.db2.gz ZCOIUHWYKISFMP-GUBZILKMSA-N 2 0 213.325 0.323 20 0 BCADRP Cn1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000086403546 358967489 /nfs/dbraw/zinc/96/74/89/358967489.db2.gz GRGJWXODCCJOFC-MNOVXSKESA-N 2 0 208.309 0.780 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000086403564 358967681 /nfs/dbraw/zinc/96/76/81/358967681.db2.gz IXCQEDLFJKORDB-WDEREUQCSA-N 2 0 208.309 0.743 20 0 BCADRP Cn1nccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086404173 358968292 /nfs/dbraw/zinc/96/82/92/358968292.db2.gz HBOWSMFKSZRINB-VHSXEESVSA-N 2 0 208.309 0.780 20 0 BCADRP CCCNC(=O)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086403841 358968542 /nfs/dbraw/zinc/96/85/42/358968542.db2.gz VYGLIHCLUMJSHK-MNOVXSKESA-N 2 0 227.352 0.762 20 0 BCADRP C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCOC1 ZINC000308820114 491138409 /nfs/dbraw/zinc/13/84/09/491138409.db2.gz GFXQQFIBKDJPIF-SRVKXCTJSA-N 2 0 210.321 0.564 20 0 BCADRP CC[NH+]1CCC(NCC[N@H+](C)CCOC)CC1 ZINC000061374953 358932874 /nfs/dbraw/zinc/93/28/74/358932874.db2.gz LKJIGGDJNYIYDU-UHFFFAOYSA-N 2 0 243.395 0.639 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000423323556 192706814 /nfs/dbraw/zinc/70/68/14/192706814.db2.gz ICTIZRKGGQDHIS-UPJWGTAASA-N 2 0 225.380 0.916 20 0 BCADRP C[NH+](C)CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247027802 359185729 /nfs/dbraw/zinc/18/57/29/359185729.db2.gz RTGNYXNMLKIXAX-NWDGAFQWSA-N 2 0 239.363 0.491 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000247368333 359216932 /nfs/dbraw/zinc/21/69/32/359216932.db2.gz RNKNOBUKEQSHPR-QWHCGFSZSA-N 2 0 244.379 0.657 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@H](C)C[NH3+])[C@@H](C)[NH3+] ZINC000423444991 192772360 /nfs/dbraw/zinc/77/23/60/192772360.db2.gz BJOVOAUHKQJQGP-OPRDCNLKSA-N 2 0 215.341 0.317 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000574987673 359522786 /nfs/dbraw/zinc/52/27/86/359522786.db2.gz JSOLXCNKYBLZPS-MWLCHTKSSA-N 2 0 227.352 0.476 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000423626576 192818552 /nfs/dbraw/zinc/81/85/52/192818552.db2.gz HKENPBBFXKRJCW-UTLUCORTSA-N 2 0 215.341 0.330 20 0 BCADRP COC[C@H](C)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000379529745 359536952 /nfs/dbraw/zinc/53/69/52/359536952.db2.gz IEBMLSOLHJNPML-OUAUKWLOSA-N 2 0 200.326 0.857 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000580429852 359546819 /nfs/dbraw/zinc/54/68/19/359546819.db2.gz FMIZGZADFBWDFZ-IJLUTSLNSA-N 2 0 239.363 0.762 20 0 BCADRP CCN(CCO)CC[NH2+]CC1(C)CC1 ZINC000379612729 359566549 /nfs/dbraw/zinc/56/65/49/359566549.db2.gz WBHFLKRJCDSNSZ-UHFFFAOYSA-N 2 0 200.326 0.690 20 0 BCADRP CC1(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[NH2+]C1 ZINC000423577587 192816361 /nfs/dbraw/zinc/81/63/61/192816361.db2.gz SJALZFQSVDMRNM-AXFHLTTASA-N 2 0 237.347 0.182 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)[C@H](C)[NH3+] ZINC000423608869 192818259 /nfs/dbraw/zinc/81/82/59/192818259.db2.gz LUPBILIYUNQUAM-YFKTTZPYSA-N 2 0 241.379 0.863 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N(CCOC)CC[NH+](C)C ZINC000423737664 192826323 /nfs/dbraw/zinc/82/63/23/192826323.db2.gz FIPSIIBLZCTKOR-NSHDSACASA-N 2 0 245.367 0.150 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)C[NH3+] ZINC000423767088 192831310 /nfs/dbraw/zinc/83/13/10/192831310.db2.gz DFHOMABPLBNIIR-UTUOFQBUSA-N 2 0 239.363 0.666 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000423814163 192838901 /nfs/dbraw/zinc/83/89/01/192838901.db2.gz GJUARTLQUHYCFD-PWSUYJOCSA-N 2 0 239.363 0.727 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000423814159 192839489 /nfs/dbraw/zinc/83/94/89/192839489.db2.gz GJUARTLQUHYCFD-CMPLNLGQSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000424021506 192854563 /nfs/dbraw/zinc/85/45/63/192854563.db2.gz QZMVFLHQLXDORI-NWDGAFQWSA-N 2 0 241.379 0.688 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C)CCC[NH2+]C ZINC000424021504 192854879 /nfs/dbraw/zinc/85/48/79/192854879.db2.gz QYYQSOUCEKQPBR-SNVBAGLBSA-N 2 0 215.341 0.442 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)CCC[NH2+]C ZINC000424021939 192855157 /nfs/dbraw/zinc/85/51/57/192855157.db2.gz SMRVJHFHRFMXJS-UHFFFAOYSA-N 2 0 215.341 0.396 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCC[NH3+] ZINC000578442148 366569199 /nfs/dbraw/zinc/56/91/99/366569199.db2.gz AFCZGMIJJOXPNX-SNVBAGLBSA-N 2 0 215.341 0.572 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000087471648 366581154 /nfs/dbraw/zinc/58/11/54/366581154.db2.gz PSDJKWSAHBEVOP-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000087471631 366581669 /nfs/dbraw/zinc/58/16/69/366581669.db2.gz UFOZNFPQMHUFAZ-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000578524621 366590704 /nfs/dbraw/zinc/59/07/04/366590704.db2.gz LWEIALYXRIFJDQ-WDEREUQCSA-N 2 0 227.352 0.618 20 0 BCADRP COC[C@H](CCO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000223978846 491145346 /nfs/dbraw/zinc/14/53/46/491145346.db2.gz PPPALGJAXZJUFW-YPMHNXCESA-N 2 0 244.379 0.704 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)[NH+](C)C ZINC000087122776 359900339 /nfs/dbraw/zinc/90/03/39/359900339.db2.gz QECSGCRPSMSQJA-VWYCJHECSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)c1ccnc(C[NH3+])c1 ZINC000578748294 366634161 /nfs/dbraw/zinc/63/41/61/366634161.db2.gz UNQWQYOSTZSEHJ-VIFPVBQESA-N 2 0 236.319 0.398 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578879784 366665663 /nfs/dbraw/zinc/66/56/63/366665663.db2.gz ILLFLUZNHGGZCP-GVXVVHGQSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000578894260 366670138 /nfs/dbraw/zinc/67/01/38/366670138.db2.gz QGHDKDNMQJQYBT-ATZCPNFKSA-N 2 0 225.336 0.323 20 0 BCADRP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000578867762 366661847 /nfs/dbraw/zinc/66/18/47/366661847.db2.gz BNZYRYJZMCYCCA-JHJVBQTASA-N 3 0 223.364 0.527 20 0 BCADRP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000578867763 366662177 /nfs/dbraw/zinc/66/21/77/366662177.db2.gz BNZYRYJZMCYCCA-UPJWGTAASA-N 3 0 223.364 0.527 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089460635 360020934 /nfs/dbraw/zinc/02/09/34/360020934.db2.gz DFCDKGJZOZPAJV-UTUOFQBUSA-N 2 0 241.379 0.818 20 0 BCADRP COCCC[N@H+](CCOC)CC[C@@H]1CC[NH2+]C1 ZINC000089749278 360036979 /nfs/dbraw/zinc/03/69/79/360036979.db2.gz NKVNKXSINREMDA-ZDUSSCGKSA-N 2 0 244.379 0.971 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612875057 360135330 /nfs/dbraw/zinc/13/53/30/360135330.db2.gz BWHGQQDWAIHYRG-CMPLNLGQSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612929188 360197664 /nfs/dbraw/zinc/19/76/64/360197664.db2.gz IMXMIFXSSVSZLU-QXEWZRGKSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000430699264 192885548 /nfs/dbraw/zinc/88/55/48/192885548.db2.gz YALMEVVMZUTMRD-SCZZXKLOSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@]1(NC(=O)NC[C@@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000612910927 360173982 /nfs/dbraw/zinc/17/39/82/360173982.db2.gz BMBALNGBXLPFMM-CMPLNLGQSA-N 2 0 240.351 0.180 20 0 BCADRP C[C@]1(NC(=O)NCCC[NH2+]C2CC2)CC[NH2+]C1 ZINC000612910905 360174016 /nfs/dbraw/zinc/17/40/16/360174016.db2.gz BEVKPHUHDLSGCQ-LBPRGKRZSA-N 2 0 240.351 0.180 20 0 BCADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ncc[nH]1 ZINC000309384600 491147763 /nfs/dbraw/zinc/14/77/63/491147763.db2.gz DUTDHXXAGDGMDP-JTQLQIEISA-N 2 0 226.324 0.639 20 0 BCADRP C[C@@]1(NC(=O)NC[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000612915678 360190585 /nfs/dbraw/zinc/19/05/85/360190585.db2.gz STWNBRLWJZVTIT-ZYHUDNBSSA-N 2 0 240.351 0.037 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612987522 360239201 /nfs/dbraw/zinc/23/92/01/360239201.db2.gz OPDCJOOOCHLLQW-ZJUUUORDSA-N 2 0 240.351 0.117 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612995827 360249256 /nfs/dbraw/zinc/24/92/56/360249256.db2.gz ZWJUOIIPZYCPGL-SNVBAGLBSA-N 2 0 240.351 0.037 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614038778 363714088 /nfs/dbraw/zinc/71/40/88/363714088.db2.gz CAGRIEQKGMJKKD-UHFFFAOYSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCCC[NH+](C)C ZINC000094647993 360314161 /nfs/dbraw/zinc/31/41/61/360314161.db2.gz UWODBQFHDSXIPE-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000626950237 360530123 /nfs/dbraw/zinc/53/01/23/360530123.db2.gz NKKRQOZNICVOBU-HBNTYKKESA-N 2 0 240.351 0.130 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000626954349 360530729 /nfs/dbraw/zinc/53/07/29/360530729.db2.gz VLYVDZOSPOZZCS-JTQLQIEISA-N 2 0 230.356 0.317 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H](C)C[NH+](CC)CC ZINC000626951555 360530846 /nfs/dbraw/zinc/53/08/46/360530846.db2.gz AISMIZUOGVBBDJ-LLVKDONJSA-N 2 0 244.383 0.707 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000626954350 360530889 /nfs/dbraw/zinc/53/08/89/360530889.db2.gz VLYVDZOSPOZZCS-SNVBAGLBSA-N 2 0 230.356 0.317 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000154394166 360796064 /nfs/dbraw/zinc/79/60/64/360796064.db2.gz GAGUSUDQONWLQI-ZJUUUORDSA-N 2 0 213.325 0.454 20 0 BCADRP C[C@@H]1CNCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414667460 200757035 /nfs/dbraw/zinc/75/70/35/200757035.db2.gz HJNXDOKASDHYMI-TUAOUCFPSA-N 2 0 211.353 0.668 20 0 BCADRP CC(C)C[C@H]([NH3+])CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000414934224 200783460 /nfs/dbraw/zinc/78/34/60/200783460.db2.gz SRCKGMWQXUCFAY-SDDRHHMPSA-N 2 0 213.369 0.947 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417609971 200810825 /nfs/dbraw/zinc/81/08/25/200810825.db2.gz MKWDNCJBXDOLBW-NSHDSACASA-N 2 0 244.383 0.707 20 0 BCADRP C[C@@H]1C[NH+](CCN2CC[NH2+]CC2)C[C@@H](C)S1 ZINC000069908575 361013969 /nfs/dbraw/zinc/01/39/69/361013969.db2.gz CUTNXIGYHLSIFC-VXGBXAGGSA-N 2 0 243.420 0.717 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000629407582 361055904 /nfs/dbraw/zinc/05/59/04/361055904.db2.gz FDINJDNQGNNXAZ-UMSGYPCISA-N 2 0 223.364 0.953 20 0 BCADRP CN1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629398122 361048883 /nfs/dbraw/zinc/04/88/83/361048883.db2.gz MWBIELLFPBHQDF-UHFFFAOYSA-N 2 0 215.341 0.036 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000629405898 361054007 /nfs/dbraw/zinc/05/40/07/361054007.db2.gz XHNCYPJOWKGGDH-OLZOCXBDSA-N 3 0 241.379 0.439 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000629405897 361054236 /nfs/dbraw/zinc/05/42/36/361054236.db2.gz XHNCYPJOWKGGDH-CHWSQXEVSA-N 3 0 241.379 0.439 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424142394 200867460 /nfs/dbraw/zinc/86/74/60/200867460.db2.gz IDEZVFFHKHGTSB-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424156099 200870963 /nfs/dbraw/zinc/87/09/63/200870963.db2.gz NPCGNOMNAUYSND-YFKTTZPYSA-N 2 0 239.363 0.713 20 0 BCADRP C1C[C@H]2C[C@@H](N[C@@H]3CC[NH2+]C3)CC[N@@H+]2C1 ZINC000157432849 361082234 /nfs/dbraw/zinc/08/22/34/361082234.db2.gz OMHPFRBJLVWDAJ-TUAOUCFPSA-N 2 0 209.337 0.565 20 0 BCADRP CO[C@@H](C)[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629521073 361117590 /nfs/dbraw/zinc/11/75/90/361117590.db2.gz KZLILTQILAWTFV-UWVGGRQHSA-N 2 0 216.325 0.507 20 0 BCADRP C[C@H](NCC1([NH3+])CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000629518940 361118854 /nfs/dbraw/zinc/11/88/54/361118854.db2.gz CTOPUYNCZQMNNY-RYUDHWBXSA-N 2 0 241.379 0.615 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NCC1([NH3+])CCOCC1 ZINC000629518880 361119170 /nfs/dbraw/zinc/11/91/70/361119170.db2.gz CHKJVYFHORXAQR-NEPJUHHUSA-N 2 0 241.379 0.601 20 0 BCADRP [NH3+]C1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000037812673 181324093 /nfs/dbraw/zinc/32/40/93/181324093.db2.gz FBJVKZARVRRAPM-LLVKDONJSA-N 2 0 237.347 0.565 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCC[N@@H+]1C ZINC000629520883 361116560 /nfs/dbraw/zinc/11/65/60/361116560.db2.gz YQJDENBXVDVLJQ-TUAOUCFPSA-N 2 0 211.353 0.668 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)[C@H](C)OC ZINC000629528760 361137993 /nfs/dbraw/zinc/13/79/93/361137993.db2.gz IRTFONZLJJDPEC-UWVGGRQHSA-N 2 0 204.314 0.235 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CCOCC[NH2+]C)[C@@H](C)C1 ZINC000629528920 361138274 /nfs/dbraw/zinc/13/82/74/361138274.db2.gz MYTDZTBYENLHDG-STQMWFEESA-N 3 0 243.395 0.542 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000629529053 361138353 /nfs/dbraw/zinc/13/83/53/361138353.db2.gz QMJMHQCZXCWMGA-GHMZBOCLSA-N 2 0 216.325 0.237 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000629529275 361138679 /nfs/dbraw/zinc/13/86/79/361138679.db2.gz XKVCXWXHVKQQKG-LBPRGKRZSA-N 3 0 243.395 0.542 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000629529056 361138890 /nfs/dbraw/zinc/13/88/90/361138890.db2.gz QMJMHQCZXCWMGA-WDEREUQCSA-N 2 0 216.325 0.237 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000629530490 361144474 /nfs/dbraw/zinc/14/44/74/361144474.db2.gz IDFNSAPPJLSSQH-HBNTYKKESA-N 2 0 216.325 0.378 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cn[nH]c1 ZINC000629530746 361145563 /nfs/dbraw/zinc/14/55/63/361145563.db2.gz PWUPAQCMBPMUDY-SECBINFHSA-N 2 0 212.297 0.296 20 0 BCADRP C[NH2+]CCOCCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000629531444 361149128 /nfs/dbraw/zinc/14/91/28/361149128.db2.gz LEZNMITWLLIEMH-NEPJUHHUSA-N 2 0 229.368 0.343 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000629531746 361149170 /nfs/dbraw/zinc/14/91/70/361149170.db2.gz WOZQUZQVURDRLL-HBNTYKKESA-N 2 0 200.326 0.857 20 0 BCADRP CN1CCOC[C@@H]1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000629532671 361154521 /nfs/dbraw/zinc/15/45/21/361154521.db2.gz LOQLGFJSVPKXGX-SRVKXCTJSA-N 2 0 227.352 0.177 20 0 BCADRP CN1CCOC[C@@H]1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000629532920 361155278 /nfs/dbraw/zinc/15/52/78/361155278.db2.gz YIUYIPLDAGUKBQ-RWMBFGLXSA-N 2 0 241.379 0.567 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629523580 361121288 /nfs/dbraw/zinc/12/12/88/361121288.db2.gz HVHGGWZCTSUZIM-DBIOUOCHSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629523581 361121346 /nfs/dbraw/zinc/12/13/46/361121346.db2.gz HVHGGWZCTSUZIM-GWOFURMSSA-N 2 0 225.336 0.228 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000629523890 361121389 /nfs/dbraw/zinc/12/13/89/361121389.db2.gz KZZUPXOPTCLTBO-XWLWVQCSSA-N 2 0 225.336 0.500 20 0 BCADRP CC(C)CC[C@H](CO)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000629523301 361124025 /nfs/dbraw/zinc/12/40/25/361124025.db2.gz LDJDFDLIRVHZPB-ZYHUDNBSSA-N 2 0 214.353 0.981 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424471060 200929360 /nfs/dbraw/zinc/92/93/60/200929360.db2.gz CGISSYCSFAONRN-GMTAPVOTSA-N 2 0 242.367 0.539 20 0 BCADRP [NH3+][C@@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000634271395 361169216 /nfs/dbraw/zinc/16/92/16/361169216.db2.gz UGJNYDANYJGDEO-QWRGUYRKSA-N 2 0 240.351 0.165 20 0 BCADRP [NH3+]C1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCCCC1 ZINC000377395979 181325434 /nfs/dbraw/zinc/32/54/34/181325434.db2.gz XPBSDRZZJIWCRN-UWVGGRQHSA-N 2 0 243.326 0.464 20 0 BCADRP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158638846 361206557 /nfs/dbraw/zinc/20/65/57/361206557.db2.gz JLIZYVNVYCTDJS-MXWKQRLJSA-N 2 0 200.326 0.830 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2C[C@@]2(O)C1 ZINC000640474897 361246102 /nfs/dbraw/zinc/24/61/02/361246102.db2.gz CUSLSVRMIZENQS-JHJVBQTASA-N 2 0 224.348 0.927 20 0 BCADRP [NH3+]C1(C(=O)NCCC[NH+]2CCCC2)CCCC1 ZINC000037616130 181326164 /nfs/dbraw/zinc/32/61/64/181326164.db2.gz OMHCMKGNJBTRND-UHFFFAOYSA-N 2 0 239.363 0.860 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000579107327 366707633 /nfs/dbraw/zinc/70/76/33/366707633.db2.gz HHNMCFFVWCMDRS-ZMLRMANQSA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000579091088 366707924 /nfs/dbraw/zinc/70/79/24/366707924.db2.gz LXZQODFILNFOFG-LLVKDONJSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CCCCC[NH2+]1 ZINC000579111410 366713472 /nfs/dbraw/zinc/71/34/72/366713472.db2.gz GJEBLZLFZXNRDB-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000579142418 366724882 /nfs/dbraw/zinc/72/48/82/366724882.db2.gz NSXFAUSLADOSAG-UWVGGRQHSA-N 2 0 213.325 0.099 20 0 BCADRP CC(C)(O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000579241626 366743992 /nfs/dbraw/zinc/74/39/92/366743992.db2.gz XRURSMACUXSPMT-NSHDSACASA-N 2 0 242.363 0.445 20 0 BCADRP CCC[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000428629854 201030868 /nfs/dbraw/zinc/03/08/68/201030868.db2.gz WBRKCKPYCCHXIM-FOSCPWQOSA-N 2 0 239.363 0.727 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000622044451 370675762 /nfs/dbraw/zinc/67/57/62/370675762.db2.gz GAKOZCLFBHLHEN-QJPTWQEYSA-N 2 0 225.336 0.467 20 0 BCADRP CC[C@H](Cn1cncn1)[NH2+]CC[C@H](C)[NH3+] ZINC000622044377 370676888 /nfs/dbraw/zinc/67/68/88/370676888.db2.gz DAOIROSBNZPMOI-VHSXEESVSA-N 2 0 211.313 0.384 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000622044561 370677098 /nfs/dbraw/zinc/67/70/98/370677098.db2.gz KOHHRQASFIVUSE-RTXFEEFZSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H](Cn1cncn1)[NH2+]CC[C@H](C)[NH3+] ZINC000622044376 370677597 /nfs/dbraw/zinc/67/75/97/370677597.db2.gz DAOIROSBNZPMOI-UWVGGRQHSA-N 2 0 211.313 0.384 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC(C)(C)C[NH3+] ZINC000428915355 201050369 /nfs/dbraw/zinc/05/03/69/201050369.db2.gz JAKCLDPSKYAFQL-UWVGGRQHSA-N 2 0 227.352 0.713 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC([NH3+])CC1 ZINC000428731165 201039272 /nfs/dbraw/zinc/03/92/72/201039272.db2.gz LADANLJDXWBZRN-UHFFFAOYSA-N 2 0 213.325 0.278 20 0 BCADRP CC[C@@H](C(=O)NC1CC[NH2+]CC1)[NH+](CC)CC ZINC000428755666 201042139 /nfs/dbraw/zinc/04/21/39/201042139.db2.gz ZWXLWIPCDURHHD-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC000429095499 201069585 /nfs/dbraw/zinc/06/95/85/201069585.db2.gz MZWAELIKCMVDTD-NSHDSACASA-N 2 0 229.368 0.833 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000429132790 201070450 /nfs/dbraw/zinc/07/04/50/201070450.db2.gz FMIUTMAJBGWRJN-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000428957080 201052757 /nfs/dbraw/zinc/05/27/57/201052757.db2.gz ZTVBPMIYZOVXAL-BJDJZHNGSA-N 2 0 241.379 0.864 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000429156109 201072485 /nfs/dbraw/zinc/07/24/85/201072485.db2.gz DSVIABNYWCJSCU-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000428969091 201055148 /nfs/dbraw/zinc/05/51/48/201055148.db2.gz QQONYHHDGJDOCX-SDDRHHMPSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000428969088 201055832 /nfs/dbraw/zinc/05/58/32/201055832.db2.gz QQONYHHDGJDOCX-GRYCIOLGSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H](C(=O)NC[C@H]1CCC[NH2+]1)[NH+](CC)CC ZINC000429082173 201067063 /nfs/dbraw/zinc/06/70/63/201067063.db2.gz RHJBSFSLCIBXBM-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H]2CC[NH2+]2)CCCCCC1 ZINC000336596724 181330528 /nfs/dbraw/zinc/33/05/28/181330528.db2.gz MZBOKPFCDVVVPM-SNVBAGLBSA-N 2 0 225.336 0.516 20 0 BCADRP CCCN(CC[C@H]1CCC[N@@H+]1C)CC(N)=O ZINC000429120029 201067767 /nfs/dbraw/zinc/06/77/67/201067767.db2.gz BRQMJGCSLCDLCX-LLVKDONJSA-N 2 0 227.352 0.668 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)[NH+](C)C ZINC000429162727 201075387 /nfs/dbraw/zinc/07/53/87/201075387.db2.gz YPLNIDAUQULIJF-TUAOUCFPSA-N 2 0 241.379 0.768 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C1CC[NH+](C)CC1 ZINC000429180141 201076417 /nfs/dbraw/zinc/07/64/17/201076417.db2.gz HSVWGJKHSHAMNR-NSHDSACASA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)[NH+](C)C ZINC000429176655 201076602 /nfs/dbraw/zinc/07/66/02/201076602.db2.gz YPLNIDAUQULIJF-QJPTWQEYSA-N 2 0 241.379 0.768 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@H]1C[NH3+])[NH+](C)C ZINC000429173773 201076711 /nfs/dbraw/zinc/07/67/11/201076711.db2.gz BVHONIOSPQITJS-TUAOUCFPSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@@H]1COCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629539042 361404618 /nfs/dbraw/zinc/40/46/18/361404618.db2.gz OZDWFLUTYYTEHM-MNOVXSKESA-N 2 0 216.325 0.366 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000429408925 201106264 /nfs/dbraw/zinc/10/62/64/201106264.db2.gz XEGFCLBIKJLNAV-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH+](C)CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000036757331 361395542 /nfs/dbraw/zinc/39/55/42/361395542.db2.gz BIKWNCBACOELBH-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP C[C@@H]1CC[C@H](N[C@@H]2C[NH2+]CC[C@@H]2C)C[NH2+]1 ZINC000629536164 361398461 /nfs/dbraw/zinc/39/84/61/361398461.db2.gz DWUZHMIKIUKVMY-WHOHXGKFSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629540265 361398635 /nfs/dbraw/zinc/39/86/35/361398635.db2.gz OGMGCGJSBFGVKY-NAWOPXAZSA-N 2 0 241.379 0.469 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H](C)CCC[NH3+] ZINC000579353314 366767367 /nfs/dbraw/zinc/76/73/67/366767367.db2.gz ZBHOHQHUIYBQEQ-BDAKNGLRSA-N 2 0 201.314 0.357 20 0 BCADRP [NH3+]CCC1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000579368454 366771556 /nfs/dbraw/zinc/77/15/56/366771556.db2.gz WSCCMHJCDXOLIO-UHFFFAOYSA-N 2 0 225.336 0.455 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629539437 361406659 /nfs/dbraw/zinc/40/66/59/361406659.db2.gz RFZLJSOFTUPEQV-NEPJUHHUSA-N 3 0 229.368 0.330 20 0 BCADRP C[C@@H]([NH2+]CCOCCC[NH3+])[C@H]1CCOC1 ZINC000629538789 361403547 /nfs/dbraw/zinc/40/35/47/361403547.db2.gz NBUPKZPTQLGRGS-MNOVXSKESA-N 2 0 216.325 0.366 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629544094 361412787 /nfs/dbraw/zinc/41/27/87/361412787.db2.gz FANNLEBYRSIRGW-KIJLLGNVSA-N 3 0 223.364 0.715 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH3+] ZINC000429658414 201123148 /nfs/dbraw/zinc/12/31/48/201123148.db2.gz IBVCEKAVTPAKJM-JTQLQIEISA-N 2 0 213.325 0.278 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000429658415 201123453 /nfs/dbraw/zinc/12/34/53/201123453.db2.gz IBVCEKAVTPAKJM-SNVBAGLBSA-N 2 0 213.325 0.278 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C[N@H+](C)CCC ZINC000429623944 201123538 /nfs/dbraw/zinc/12/35/38/201123538.db2.gz KTLBFAHAHXOQSM-NSHDSACASA-N 2 0 229.368 0.962 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1COCCN1 ZINC000629534834 361408655 /nfs/dbraw/zinc/40/86/55/361408655.db2.gz BJQKJPGKEMRASY-MNOVXSKESA-N 2 0 215.341 0.082 20 0 BCADRP CCO[C@@H](C[NH+]1CCC(O)(C[NH3+])CC1)C1CC1 ZINC000629543114 361421581 /nfs/dbraw/zinc/42/15/81/361421581.db2.gz TVZLEZIKMKLFTE-LBPRGKRZSA-N 2 0 242.363 0.587 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629544095 361422042 /nfs/dbraw/zinc/42/20/42/361422042.db2.gz FANNLEBYRSIRGW-OBPIAQAESA-N 3 0 223.364 0.715 20 0 BCADRP C[C@H](N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000629545670 361426737 /nfs/dbraw/zinc/42/67/37/361426737.db2.gz MIQLFQUESYUXHF-FIQHERPVSA-N 2 0 211.353 0.857 20 0 BCADRP C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000629545672 361427035 /nfs/dbraw/zinc/42/70/35/361427035.db2.gz MIQLFQUESYUXHF-IRCOFANPSA-N 2 0 211.353 0.857 20 0 BCADRP C[C@H](NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000629547401 361430611 /nfs/dbraw/zinc/43/06/11/361430611.db2.gz SLBTZNDENFJXAG-YNEHKIRRSA-N 2 0 241.379 0.173 20 0 BCADRP C[C@@H](NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000629547399 361430924 /nfs/dbraw/zinc/43/09/24/361430924.db2.gz SLBTZNDENFJXAG-UPJWGTAASA-N 2 0 241.379 0.173 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000629548498 361432385 /nfs/dbraw/zinc/43/23/85/361432385.db2.gz ZVTKXPKQDDBMCB-SQNXGDPESA-N 2 0 239.363 0.093 20 0 BCADRP C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1c[nH+]ccc1N ZINC000629548429 361432643 /nfs/dbraw/zinc/43/26/43/361432643.db2.gz ZRNDOWNMXZFWBE-HOTUBEGUSA-N 2 0 220.320 0.895 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000629548500 361432689 /nfs/dbraw/zinc/43/26/89/361432689.db2.gz ZVTKXPKQDDBMCB-WKSBVSIWSA-N 2 0 239.363 0.093 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000629548496 361433170 /nfs/dbraw/zinc/43/31/70/361433170.db2.gz ZVTKXPKQDDBMCB-RYDUCSDGSA-N 2 0 239.363 0.093 20 0 BCADRP C[N@@H+]1CCC[C@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000629549277 361434359 /nfs/dbraw/zinc/43/43/59/361434359.db2.gz GVSGZDGDCZISDY-TUAOUCFPSA-N 2 0 211.353 0.940 20 0 BCADRP C[C@@H](NCC[N@@H+]1CC[C@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000629556567 361450139 /nfs/dbraw/zinc/45/01/39/361450139.db2.gz SLBTZNDENFJXAG-FRRDWIJNSA-N 2 0 241.379 0.173 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]CCN1CC[C@H](O)C1 ZINC000629556646 361450289 /nfs/dbraw/zinc/45/02/89/361450289.db2.gz WIVQZHKLCIVBEH-RYUDHWBXSA-N 2 0 229.368 0.160 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000629549438 361441967 /nfs/dbraw/zinc/44/19/67/361441967.db2.gz VOUPBQSBSPSVOK-FIQHERPVSA-N 2 0 211.353 0.809 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOC1CCOCC1 ZINC000629549993 361442724 /nfs/dbraw/zinc/44/27/24/361442724.db2.gz UYKASSIZICPIDO-NWDGAFQWSA-N 2 0 242.363 0.994 20 0 BCADRP C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2N[C@@H]2CC[NH2+]C2)C1 ZINC000629554509 361443052 /nfs/dbraw/zinc/44/30/52/361443052.db2.gz JZEJVQJIZCEFJS-VOAKCMCISA-N 2 0 223.364 0.859 20 0 BCADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])C1 ZINC000629554664 361443967 /nfs/dbraw/zinc/44/39/67/361443967.db2.gz MPTWSHVVEIRPEV-NAWOPXAZSA-N 2 0 242.363 0.753 20 0 BCADRP CC[C@@H]([NH2+]CCOCCC[NH3+])[C@@H]1CCOC1 ZINC000629541900 361417512 /nfs/dbraw/zinc/41/75/12/361417512.db2.gz SUYRXTYXNSHZOF-VXGBXAGGSA-N 2 0 230.352 0.757 20 0 BCADRP Cc1nn(C)cc1[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629541932 361418222 /nfs/dbraw/zinc/41/82/22/361418222.db2.gz ULCRNIMLBZUACR-SNVBAGLBSA-N 2 0 240.351 0.745 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])CC[N@@H+]1C ZINC000629542475 361418934 /nfs/dbraw/zinc/41/89/34/361418934.db2.gz YVXWCXNAJSNMAT-NEPJUHHUSA-N 3 0 229.368 0.424 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCOCCC[NH3+])CC[N@@H+]1C ZINC000629542476 361419151 /nfs/dbraw/zinc/41/91/51/361419151.db2.gz YVXWCXNAJSNMAT-NWDGAFQWSA-N 3 0 229.368 0.424 20 0 BCADRP CCOCC[N@H+](C)CCOCC[NH2+]C ZINC000629568285 361460382 /nfs/dbraw/zinc/46/03/82/361460382.db2.gz QHWUBRIUGOLLFM-UHFFFAOYSA-N 2 0 204.314 0.191 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)Cc1cccc(N)c1 ZINC000629570848 361460878 /nfs/dbraw/zinc/46/08/78/361460878.db2.gz NUHKVMVDKKZZHJ-UHFFFAOYSA-N 2 0 237.347 0.937 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCOC1 ZINC000629572074 361463833 /nfs/dbraw/zinc/46/38/33/361463833.db2.gz VTPHLGMGEHBEOG-NSHDSACASA-N 2 0 216.325 0.191 20 0 BCADRP CCN(C)C(=O)CC[N@H+](C)CCOCC[NH2+]C ZINC000629572406 361463929 /nfs/dbraw/zinc/46/39/29/361463929.db2.gz RWEVZERCFGPTCJ-UHFFFAOYSA-N 2 0 245.367 0.023 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CC[C@@H]1CCCO1 ZINC000629572436 361463950 /nfs/dbraw/zinc/46/39/50/361463950.db2.gz SMTZOPKEBMBWCG-LBPRGKRZSA-N 2 0 230.352 0.723 20 0 BCADRP C[N@H+](CCOCC[NH3+])CC[C@H]1CCC[NH2+]C1 ZINC000629578189 361464335 /nfs/dbraw/zinc/46/43/35/361464335.db2.gz OCIFIPMBTRAYKT-GFCCVEGCSA-N 3 0 229.368 0.283 20 0 BCADRP O[C@H](C[NH2+][C@@H]1C[C@H]1C1CC1)C[NH+]1CCCC1 ZINC000629578703 361464598 /nfs/dbraw/zinc/46/45/98/361464598.db2.gz LSVMJPZTCJPPKU-FRRDWIJNSA-N 2 0 224.348 0.831 20 0 BCADRP O[C@@H](C[NH2+][C@@H]1C[C@H]1C1CC1)C[NH+]1CCCC1 ZINC000629578706 361464875 /nfs/dbraw/zinc/46/48/75/361464875.db2.gz LSVMJPZTCJPPKU-RWMBFGLXSA-N 2 0 224.348 0.831 20 0 BCADRP CCC1([NH+]2CCOCC2)CCN(CC[NH3+])CC1 ZINC000629583651 361467194 /nfs/dbraw/zinc/46/71/94/361467194.db2.gz HMBNNNXQBGIBPQ-UHFFFAOYSA-N 2 0 241.379 0.522 20 0 BCADRP Cc1nnc([C@H](C)N(C)CCOCC[NH3+])[nH]1 ZINC000629581030 361470661 /nfs/dbraw/zinc/47/06/61/361470661.db2.gz KFYTWHAFEHDIMH-QMMMGPOBSA-N 2 0 227.312 0.081 20 0 BCADRP C[N@H+](CCOCC[NH3+])Cc1cccnc1N ZINC000629581367 361470757 /nfs/dbraw/zinc/47/07/57/361470757.db2.gz YDCQGJFCROHZGD-UHFFFAOYSA-N 2 0 224.308 0.071 20 0 BCADRP C[C@@H]([NH3+])CN1CCC[C@@H](C[NH3+])[C@H]1C(F)(F)F ZINC000629581524 361472756 /nfs/dbraw/zinc/47/27/56/361472756.db2.gz AGAOCSMNVNJTOG-VGMNWLOBSA-N 2 0 239.285 0.935 20 0 BCADRP COC[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584674 361473700 /nfs/dbraw/zinc/47/37/00/361473700.db2.gz DADJCHNHDGVAMX-UTUOFQBUSA-N 2 0 212.337 0.953 20 0 BCADRP CCCN(C(=O)[C@H](C[NH3+])C(C)C)[C@@H]1CC[NH2+]C1 ZINC000433173080 201163333 /nfs/dbraw/zinc/16/33/33/201163333.db2.gz IYLQQRGDLIHINV-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]CCCN1CCCC[C@@H]1CNC(C)=O ZINC000629595429 361481619 /nfs/dbraw/zinc/48/16/19/361481619.db2.gz PCBQRSZSDJZSIZ-GFCCVEGCSA-N 2 0 227.352 0.587 20 0 BCADRP COCCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593143 361484691 /nfs/dbraw/zinc/48/46/91/361484691.db2.gz FTOGQMASESHNFB-TXEJJXNPSA-N 2 0 212.337 0.954 20 0 BCADRP COC[C@@]1(C)C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000629594337 361486759 /nfs/dbraw/zinc/48/67/59/361486759.db2.gz ADOOGCKAZZZEPR-CHWSQXEVSA-N 2 0 242.363 0.723 20 0 BCADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000629611338 361501535 /nfs/dbraw/zinc/50/15/35/361501535.db2.gz RKNJNLRVQRWISC-ZJUUUORDSA-N 2 0 213.325 0.276 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]C)C1)[NH+](C)C ZINC000629611343 361501784 /nfs/dbraw/zinc/50/17/84/361501784.db2.gz RNTADYXDHKQGGW-UWVGGRQHSA-N 2 0 213.325 0.147 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)[NH+](C)C ZINC000629615394 361504015 /nfs/dbraw/zinc/50/40/15/361504015.db2.gz OMKTULVUTOZJSH-QJPTWQEYSA-N 2 0 241.379 0.770 20 0 BCADRP CC[C@H](C(=O)NC[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000629615919 361505064 /nfs/dbraw/zinc/50/50/64/361505064.db2.gz ZDJPPVDTHSWEMY-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@H](C(=O)NC1CCC([NH3+])CC1)[NH+](C)C ZINC000629615565 361505481 /nfs/dbraw/zinc/50/54/81/361505481.db2.gz VDCRIBFIBWSSND-VQXHTEKXSA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@H](C(=O)N1CCC2(CC[NH2+]2)CC1)[NH+](C)C ZINC000629616331 361506662 /nfs/dbraw/zinc/50/66/62/361506662.db2.gz ZXZGGLDDKYPROE-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@H](C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)[NH+](C)C ZINC000629613638 361507907 /nfs/dbraw/zinc/50/79/07/361507907.db2.gz PZUXJAVEPJMLJU-DMDPSCGWSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@H](C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000629614421 361509373 /nfs/dbraw/zinc/50/93/73/361509373.db2.gz JMISDJLXXVEVLL-GRYCIOLGSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H](C[C@H]1CCC[NH2+]1)NCC1([NH3+])CCOCC1 ZINC000629655747 361560021 /nfs/dbraw/zinc/56/00/21/361560021.db2.gz YCPHYMAFWJIJCN-NWDGAFQWSA-N 2 0 241.379 0.615 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000629655496 361560113 /nfs/dbraw/zinc/56/01/13/361560113.db2.gz YESFITDHRBYSAI-KXNHARMFSA-N 2 0 209.337 0.326 20 0 BCADRP C[C@H](C[C@H]1CCC[NH2+]1)NCC1([NH3+])CCOCC1 ZINC000629655750 361560200 /nfs/dbraw/zinc/56/02/00/361560200.db2.gz YCPHYMAFWJIJCN-VXGBXAGGSA-N 2 0 241.379 0.615 20 0 BCADRP C[C@@H]1CC[C@H](NC[C@]2(C)CC[NH2+]C2)C[NH2+]1 ZINC000629659740 361564728 /nfs/dbraw/zinc/56/47/28/361564728.db2.gz GAJHHDYZNKVVMM-GRYCIOLGSA-N 2 0 211.353 0.716 20 0 BCADRP COC[C@@H](C)C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629653632 361553648 /nfs/dbraw/zinc/55/36/48/361553648.db2.gz RMHNORMCJSGEEY-QMMMGPOBSA-N 2 0 240.307 0.013 20 0 BCADRP C[C@@H]1C[C@@H](C[N@H+](C)CCOCC[NH3+])CC[NH2+]1 ZINC000629663330 361595795 /nfs/dbraw/zinc/59/57/95/361595795.db2.gz IJYVBEWMSRMUNN-NEPJUHHUSA-N 3 0 229.368 0.282 20 0 BCADRP C[C@@H]1C[C@H](C[N@H+](C)CCOCC[NH3+])CC[NH2+]1 ZINC000629663340 361595806 /nfs/dbraw/zinc/59/58/06/361595806.db2.gz IJYVBEWMSRMUNN-VXGBXAGGSA-N 3 0 229.368 0.282 20 0 BCADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCOCCC[NH3+] ZINC000629677875 361600859 /nfs/dbraw/zinc/60/08/59/361600859.db2.gz IKJDCLRDKKVMNP-RYUDHWBXSA-N 3 0 229.368 0.472 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000153242331 201229776 /nfs/dbraw/zinc/22/97/76/201229776.db2.gz UBBOJDAZXFOGOS-GMTAPVOTSA-N 2 0 225.336 0.337 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000435098544 201250045 /nfs/dbraw/zinc/25/00/45/201250045.db2.gz LYWMLOQRWLGDOS-ZDUSSCGKSA-N 2 0 241.379 0.819 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CCC[NH2+][C@@H]1C)[NH+](C)C ZINC000434703490 201236245 /nfs/dbraw/zinc/23/62/45/201236245.db2.gz UISCCZSTPGPNRC-GRYCIOLGSA-N 2 0 241.379 0.829 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000434703786 201237377 /nfs/dbraw/zinc/23/73/77/201237377.db2.gz BENJZGIBOCBDJY-VWYCJHECSA-N 2 0 227.352 0.761 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000435875424 201291740 /nfs/dbraw/zinc/29/17/40/201291740.db2.gz CMKBOGBPSFPWHP-LBPRGKRZSA-N 2 0 225.336 0.198 20 0 BCADRP C[C@@H]1CSCCN1C[C@@H]1C[NH2+]CCO1 ZINC000070621646 361649834 /nfs/dbraw/zinc/64/98/34/361649834.db2.gz IEFOVABKVLLNMO-ZJUUUORDSA-N 2 0 216.350 0.412 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000154588362 201282759 /nfs/dbraw/zinc/28/27/59/201282759.db2.gz JMJYSXAICQQBOT-GHMZBOCLSA-N 2 0 229.368 0.544 20 0 BCADRP C[NH2+]CCC[N@@H+]1CC[C@@H](COCCOC)C1 ZINC000435879687 201292061 /nfs/dbraw/zinc/29/20/61/201292061.db2.gz DVMXEYRQOLZOCE-GFCCVEGCSA-N 2 0 230.352 0.581 20 0 BCADRP [NH3+]C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000309589175 181343630 /nfs/dbraw/zinc/34/36/30/181343630.db2.gz XZDFFEBTPUQSRX-UHFFFAOYSA-N 3 0 211.353 0.799 20 0 BCADRP [NH3+][C@H](C(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000032021648 181343894 /nfs/dbraw/zinc/34/38/94/181343894.db2.gz LRZITQKEQAWIRX-LBPRGKRZSA-N 2 0 233.315 0.636 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000435876931 201293159 /nfs/dbraw/zinc/29/31/59/201293159.db2.gz LTNAXAZQJUKCOH-GFCCVEGCSA-N 2 0 237.351 0.600 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436300098 201320883 /nfs/dbraw/zinc/32/08/83/201320883.db2.gz LGXKGMIFNWKUBP-CKYFFXLPSA-N 2 0 225.336 0.087 20 0 BCADRP [NH3+]CC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000082553659 181347677 /nfs/dbraw/zinc/34/76/77/181347677.db2.gz XMPWEEHZXJXILB-UHFFFAOYSA-N 2 0 247.342 0.680 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627244496 363847366 /nfs/dbraw/zinc/84/73/66/363847366.db2.gz ANRONRFFTQQWIJ-VPOLOUISSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627244664 363848241 /nfs/dbraw/zinc/84/82/41/363848241.db2.gz FRZDZPBNJIXDBF-VPOLOUISSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000627245144 363850965 /nfs/dbraw/zinc/85/09/65/363850965.db2.gz LMQHURSMAOAXOM-HBNTYKKESA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627251874 363877295 /nfs/dbraw/zinc/87/72/95/363877295.db2.gz DEVQCEBJERKYHJ-GARJFASQSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@]1(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC[NH2+]C1 ZINC000663013914 541321257 /nfs/dbraw/zinc/32/12/57/541321257.db2.gz HHSHWIVIQIHTSI-WCFLWFBJSA-N 2 0 237.347 0.244 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653111935 541310455 /nfs/dbraw/zinc/31/04/55/541310455.db2.gz HBLHHICKVRLEQO-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000195139089 181354582 /nfs/dbraw/zinc/35/45/82/181354582.db2.gz MWHQMOAGWLOLND-UHFFFAOYSA-N 2 0 247.342 0.857 20 0 BCADRP C(NC1=[NH+]CCCN1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000630387714 364103279 /nfs/dbraw/zinc/10/32/79/364103279.db2.gz YZPXPVFJNRNVSZ-GFCCVEGCSA-N 2 0 236.363 0.942 20 0 BCADRP [NH3+]CC1(CC(=O)N2CC[NH2+]CC2)CCCCC1 ZINC000082654330 181358691 /nfs/dbraw/zinc/35/86/91/181358691.db2.gz NAYPCZLKVWPFQQ-UHFFFAOYSA-N 2 0 239.363 0.718 20 0 BCADRP C[NH2+]C(C)(C)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630605322 364327163 /nfs/dbraw/zinc/32/71/63/364327163.db2.gz IETOIMBPYNDPHQ-SECBINFHSA-N 2 0 223.324 0.485 20 0 BCADRP c1c(C[C@@H]2CCC[NH2+]C2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000630606377 364330289 /nfs/dbraw/zinc/33/02/89/364330289.db2.gz XZBVVLYJAABMGJ-RYUDHWBXSA-N 2 0 249.362 0.572 20 0 BCADRP [NH3+]CC1(O)CC[NH+](Cc2cccnc2)CC1 ZINC000071523395 181361910 /nfs/dbraw/zinc/36/19/10/181361910.db2.gz LOVZXPWXLFBFLT-UHFFFAOYSA-N 2 0 221.304 0.367 20 0 BCADRP c1c(C[NH2+]C2CCCCC2)nnn1CC1C[NH2+]C1 ZINC000630612628 364344001 /nfs/dbraw/zinc/34/40/01/364344001.db2.gz CIGZXZGLMWKEHL-UHFFFAOYSA-N 2 0 249.362 0.920 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])c1cn(CC2C[NH2+]C2)nn1 ZINC000630613138 364341192 /nfs/dbraw/zinc/34/11/92/364341192.db2.gz IEZMJFWUNHSAOA-JTQLQIEISA-N 2 0 223.324 0.543 20 0 BCADRP [NH3+]CCCCn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000630586447 364293620 /nfs/dbraw/zinc/29/36/20/364293620.db2.gz NTIJQJLDPKLWSU-JTQLQIEISA-N 2 0 223.324 0.169 20 0 BCADRP c1c(C[C@H]2CC[NH2+]C2)nnn1-c1ccncc1 ZINC000630587305 364293962 /nfs/dbraw/zinc/29/39/62/364293962.db2.gz XYOLOFDYAAOTNM-SNVBAGLBSA-N 2 0 229.287 0.814 20 0 BCADRP [NH3+]CCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000037812716 181366414 /nfs/dbraw/zinc/36/64/14/181366414.db2.gz BTURQTDALOOOHM-SNVBAGLBSA-N 2 0 211.309 0.032 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000037824236 181366493 /nfs/dbraw/zinc/36/64/93/181366493.db2.gz LFTPHHBXQAPYLZ-LLVKDONJSA-N 2 0 225.336 0.422 20 0 BCADRP [NH3+]CCC(=O)NCCC[NH+]1CCCCC1 ZINC000037467403 181367716 /nfs/dbraw/zinc/36/77/16/181367716.db2.gz QMZSTSYAUGVJSF-UHFFFAOYSA-N 2 0 213.325 0.327 20 0 BCADRP [NH3+]CCC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000375999850 181367375 /nfs/dbraw/zinc/36/73/75/181367375.db2.gz ZYSCDJCVWSKCES-GFCCVEGCSA-N 2 0 233.315 0.338 20 0 BCADRP [NH3+]CCC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000336383365 181369055 /nfs/dbraw/zinc/36/90/55/181369055.db2.gz LCAIADUONUHAQV-UHFFFAOYSA-N 2 0 237.278 0.759 20 0 BCADRP C[NH2+]CC1CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000566071421 364713330 /nfs/dbraw/zinc/71/33/30/364713330.db2.gz MDUDHSPEGCNNDZ-UHFFFAOYSA-N 2 0 248.330 0.566 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC[C@H](C)[NH+](C)C ZINC000573321850 364798220 /nfs/dbraw/zinc/79/82/20/364798220.db2.gz AIUUJWRPSYIMHR-BBBLOLIVSA-N 2 0 230.356 0.362 20 0 BCADRP [NH3+]CCCC(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000372776501 181371214 /nfs/dbraw/zinc/37/12/14/181371214.db2.gz OEMRVTATIUHWEP-CMPLNLGQSA-N 2 0 225.336 0.455 20 0 BCADRP CC[N@H+](CCNC(=O)CC[NH2+]C1CC1)C(C)C ZINC000573266089 364789932 /nfs/dbraw/zinc/78/99/32/364789932.db2.gz SLGQBKGPGHROSP-UHFFFAOYSA-N 2 0 241.379 0.975 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000167476334 364793500 /nfs/dbraw/zinc/79/35/00/364793500.db2.gz LEKYXOVWQBLCON-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000573499389 364848089 /nfs/dbraw/zinc/84/80/89/364848089.db2.gz TYYAWWDWFYKARQ-TUAOUCFPSA-N 2 0 229.368 0.016 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1CC[NH2+][C@H]1CC ZINC000573548335 364857960 /nfs/dbraw/zinc/85/79/60/364857960.db2.gz ZHSWLCMGWCHJCD-MNOVXSKESA-N 2 0 227.352 0.490 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000573562649 364861486 /nfs/dbraw/zinc/86/14/86/364861486.db2.gz AGTILRWZKHFUMX-UKKRHICBSA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+][C@H]1CCC[C@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000573562994 364862132 /nfs/dbraw/zinc/86/21/32/364862132.db2.gz MTDUXCFWSOGOIC-AXFHLTTASA-N 2 0 225.336 0.230 20 0 BCADRP C[C@]1(CN[C@@H](CC[NH3+])C(F)(F)F)CC[NH2+]C1 ZINC000573488669 364845628 /nfs/dbraw/zinc/84/56/28/364845628.db2.gz BPABQNDYXIFFGA-IUCAKERBSA-N 2 0 239.285 0.855 20 0 BCADRP C[C@]1(CN[C@H](CC[NH3+])C(F)(F)F)CC[NH2+]C1 ZINC000573488660 364845898 /nfs/dbraw/zinc/84/58/98/364845898.db2.gz BPABQNDYXIFFGA-BDAKNGLRSA-N 2 0 239.285 0.855 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000573605486 364872594 /nfs/dbraw/zinc/87/25/94/364872594.db2.gz BPWQYSFDSHFMPR-WDEREUQCSA-N 2 0 229.368 0.722 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000573667605 364888340 /nfs/dbraw/zinc/88/83/40/364888340.db2.gz RTLFCEILYGRSDN-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP CN(C)C(=O)CC[NH+]1CCC(CC[NH3+])CC1 ZINC000069729976 541386184 /nfs/dbraw/zinc/38/61/84/541386184.db2.gz VZIZGGIBJDJTDE-UHFFFAOYSA-N 2 0 227.352 0.526 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@@H]2O)C[C@H]1[NH3+] ZINC000328525601 364865297 /nfs/dbraw/zinc/86/52/97/364865297.db2.gz UAJRZGYJBNHKJC-KXNHARMFSA-N 2 0 212.337 0.817 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCC[NH3+] ZINC000573682119 364891299 /nfs/dbraw/zinc/89/12/99/364891299.db2.gz PMEVAPPGYJINQG-JTQLQIEISA-N 2 0 215.341 0.570 20 0 BCADRP [NH3+]CCCC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000375956578 181372600 /nfs/dbraw/zinc/37/26/00/181372600.db2.gz CZYRDFWMOGPTSD-CYBMUJFWSA-N 2 0 247.342 0.729 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000573699572 364898251 /nfs/dbraw/zinc/89/82/51/364898251.db2.gz SRVRUPUOVWGWEN-GHMZBOCLSA-N 2 0 227.352 0.583 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000573699575 364898301 /nfs/dbraw/zinc/89/83/01/364898301.db2.gz SRVRUPUOVWGWEN-QWRGUYRKSA-N 2 0 227.352 0.583 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC1CC[NH2+]CC1 ZINC000573800897 364918164 /nfs/dbraw/zinc/91/81/64/364918164.db2.gz ITBDLZNHQVTYKN-UHFFFAOYSA-N 2 0 227.352 0.442 20 0 BCADRP [NH3+]CCCCNC(=O)c1ccc(C[NH3+])cc1 ZINC000040832444 181377217 /nfs/dbraw/zinc/37/72/17/181377217.db2.gz PIGJGDXSZYOMAO-UHFFFAOYSA-N 2 0 221.304 0.614 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000573924132 364941404 /nfs/dbraw/zinc/94/14/04/364941404.db2.gz RGNPMSBCKRVFIL-WDEREUQCSA-N 2 0 227.352 0.300 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000573954132 364953927 /nfs/dbraw/zinc/95/39/27/364953927.db2.gz URUUQDDIQSAHRR-RNFRBKRXSA-N 2 0 241.257 0.238 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)NC[C@H](C)C[NH3+] ZINC000573967234 364956107 /nfs/dbraw/zinc/95/61/07/364956107.db2.gz MBQTXENXNRFLFC-LLVKDONJSA-N 2 0 249.358 0.773 20 0 BCADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000574038396 364972817 /nfs/dbraw/zinc/97/28/17/364972817.db2.gz COGYRUHUXBZZOV-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000574142098 364994237 /nfs/dbraw/zinc/99/42/37/364994237.db2.gz BLUPTGPYIWYRII-NSHDSACASA-N 2 0 242.367 0.378 20 0 BCADRP [NH3+]CCCN(Cc1ccccc1)C(=O)C[NH3+] ZINC000262464286 181379952 /nfs/dbraw/zinc/37/99/52/181379952.db2.gz NEDSBMHTZLWADH-UHFFFAOYSA-N 2 0 221.304 0.323 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CCCCC1 ZINC000574205186 365010261 /nfs/dbraw/zinc/01/02/61/365010261.db2.gz RVLSCPCEYNXYMT-GRYCIOLGSA-N 2 0 239.363 0.748 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000574219095 365013186 /nfs/dbraw/zinc/01/31/86/365013186.db2.gz NFCODETUVVFJGK-UTUOFQBUSA-N 3 0 211.353 0.846 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000368430161 181382387 /nfs/dbraw/zinc/38/23/87/181382387.db2.gz UAGKVQKPOAHDNF-MNOVXSKESA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000574398173 365048648 /nfs/dbraw/zinc/04/86/48/365048648.db2.gz RPOLIDRNHPNGRJ-OUAUKWLOSA-N 2 0 244.383 0.785 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)[C@@H]([NH3+])CC(F)F)C1CC1 ZINC000574400224 365053856 /nfs/dbraw/zinc/05/38/56/365053856.db2.gz CMMFHMRAKLLTIJ-XVKPBYJWSA-N 2 0 235.278 0.213 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169027844 365059430 /nfs/dbraw/zinc/05/94/30/365059430.db2.gz WODLEYTUKVXNSW-SDDRHHMPSA-N 2 0 241.379 0.959 20 0 BCADRP [NH3+]CCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000107213679 181392218 /nfs/dbraw/zinc/39/22/18/181392218.db2.gz YOXBUSUJTNLVQJ-LBPRGKRZSA-N 2 0 211.353 0.895 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000574297588 365032715 /nfs/dbraw/zinc/03/27/15/365032715.db2.gz PCYHEHKEJFEKJZ-UWVGGRQHSA-N 2 0 227.352 0.428 20 0 BCADRP [NH3+]Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]2)ccn1 ZINC000574311862 365035021 /nfs/dbraw/zinc/03/50/21/365035021.db2.gz HKVVFQNXCPPKID-JTQLQIEISA-N 2 0 234.303 0.022 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000574321493 365036358 /nfs/dbraw/zinc/03/63/58/365036358.db2.gz YCNABQUXIIVMGR-WDEREUQCSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]CCCC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000574322657 365037544 /nfs/dbraw/zinc/03/75/44/365037544.db2.gz XWEUHSDEJFQSSA-LURJTMIESA-N 2 0 227.230 0.121 20 0 BCADRP [NH3+]CCNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000028890809 181394774 /nfs/dbraw/zinc/39/47/74/181394774.db2.gz OTUHVZWKAQUDBG-NSHDSACASA-N 2 0 246.314 0.113 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000574573678 365093875 /nfs/dbraw/zinc/09/38/75/365093875.db2.gz FJXUWACBEGVDDK-TUAOUCFPSA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000063178420 181395815 /nfs/dbraw/zinc/39/58/15/181395815.db2.gz PTJPROGLSUNLHD-NSHDSACASA-N 2 0 225.336 0.183 20 0 BCADRP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000574756803 365136159 /nfs/dbraw/zinc/13/61/59/365136159.db2.gz DKMJSQUARCHKIL-JHJVBQTASA-N 3 0 223.364 0.670 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000574635911 365107453 /nfs/dbraw/zinc/10/74/53/365107453.db2.gz XPXRYZUKLZYBAH-DCAQKATOSA-N 2 0 242.367 0.493 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000574636890 365108516 /nfs/dbraw/zinc/10/85/16/365108516.db2.gz ILMSRLRJTSIWKM-QCNOEVLYSA-N 2 0 239.363 0.618 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000574755969 365136943 /nfs/dbraw/zinc/13/69/43/365136943.db2.gz CGHYNASWJOUYJG-NXEZZACHSA-N 2 0 245.392 0.183 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000574690754 365121300 /nfs/dbraw/zinc/12/13/00/365121300.db2.gz LBPOMQGILGIWGQ-USZNOCQGSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000574690753 365121493 /nfs/dbraw/zinc/12/14/93/365121493.db2.gz LBPOMQGILGIWGQ-RHYQMDGZSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000433116690 192984581 /nfs/dbraw/zinc/98/45/81/192984581.db2.gz LOIXQYHDHKRMQW-GARJFASQSA-N 2 0 227.352 0.461 20 0 BCADRP [NH3+]C1(CNC(=O)CC[C@H]2CC[NH2+]C2)CCC1 ZINC000574516615 365078908 /nfs/dbraw/zinc/07/89/08/365078908.db2.gz OFWAWQRLGIHHAJ-JTQLQIEISA-N 2 0 225.336 0.374 20 0 BCADRP COC(=O)CC[N@H+](CCC[NH3+])C[C@H]1CCCO1 ZINC000574858845 365160271 /nfs/dbraw/zinc/16/02/71/365160271.db2.gz DCJRYYHPKMAPGN-LLVKDONJSA-N 2 0 244.335 0.379 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000575044522 365175496 /nfs/dbraw/zinc/17/54/96/365175496.db2.gz AXVYZVXIIDYURM-JTQLQIEISA-N 2 0 227.352 0.429 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC000575047416 365176866 /nfs/dbraw/zinc/17/68/66/365176866.db2.gz QCZIWTZJWGIIFL-GRYCIOLGSA-N 2 0 245.326 0.640 20 0 BCADRP CSC[C@@H](O)C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000574806085 365147936 /nfs/dbraw/zinc/14/79/36/365147936.db2.gz UPDSJDPHDWEDFL-ZJUUUORDSA-N 2 0 241.360 0.511 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000574808892 365149128 /nfs/dbraw/zinc/14/91/28/365149128.db2.gz LJMISSHBVYFSGL-GARJFASQSA-N 2 0 225.336 0.454 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000191987741 365220675 /nfs/dbraw/zinc/22/06/75/365220675.db2.gz LGNJNSZUVSVEMG-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP CCOC1CC(O)(C[NH2+][C@@H]2CN(C)C[C@@H]2C)C1 ZINC000444014375 193032920 /nfs/dbraw/zinc/03/29/20/193032920.db2.gz PHJCDZFGIPMHMT-GMKTYKIGSA-N 2 0 242.363 0.456 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000372503161 181421224 /nfs/dbraw/zinc/42/12/24/181421224.db2.gz ILRXYYUOIIGUDS-ZYHUDNBSSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H](CNC(=O)c1coc(C[NH3+])c1)[NH+](C)C ZINC000444183671 193039710 /nfs/dbraw/zinc/03/97/10/193039710.db2.gz OKUGFCWCNIRTSW-QMMMGPOBSA-N 2 0 225.292 0.418 20 0 BCADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)[C@H]1CC[NH2+]1 ZINC000444177012 193040161 /nfs/dbraw/zinc/04/01/61/193040161.db2.gz SBCWHPPFBJVITQ-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)c1coc(C[NH3+])c1 ZINC000444174403 193040168 /nfs/dbraw/zinc/04/01/68/193040168.db2.gz GLDMVXSVQZZPOQ-SECBINFHSA-N 2 0 239.319 0.808 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000444168552 193040428 /nfs/dbraw/zinc/04/04/28/193040428.db2.gz PCSQAVOPNWGIFV-DYEKYZERSA-N 2 0 249.358 0.293 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)c1coc(C[NH3+])c1 ZINC000444174404 193040573 /nfs/dbraw/zinc/04/05/73/193040573.db2.gz GLDMVXSVQZZPOQ-VIFPVBQESA-N 2 0 239.319 0.808 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[NH+](C)C ZINC000444187710 193041809 /nfs/dbraw/zinc/04/18/09/193041809.db2.gz SMKRKEOIYDMDMR-JFGNBEQYSA-N 2 0 225.336 0.052 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH2+]2)[C@@H](C)C1 ZINC000444266327 193043726 /nfs/dbraw/zinc/04/37/26/193043726.db2.gz DIBKBRWGGPKJFU-TUAOUCFPSA-N 2 0 239.363 0.537 20 0 BCADRP [NH3+]CCCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000575179182 365230474 /nfs/dbraw/zinc/23/04/74/365230474.db2.gz JFLQUTZFOAONTG-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000575400298 365310165 /nfs/dbraw/zinc/31/01/65/365310165.db2.gz YFLCVRZWBZVSFH-NEPJUHHUSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C(C)(C)C[NH3+] ZINC000379895945 365339890 /nfs/dbraw/zinc/33/98/90/365339890.db2.gz CLVINKRPADPZND-MRVPVSSYSA-N 2 0 201.314 0.071 20 0 BCADRP C[C@]1(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000579572342 366881485 /nfs/dbraw/zinc/88/14/85/366881485.db2.gz ZYWJFUGUFAWQQB-NTZNESFSSA-N 2 0 239.363 0.762 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@H]1CF ZINC000575879066 365404054 /nfs/dbraw/zinc/40/40/54/365404054.db2.gz IDSHXXIXMXFUDF-QWRGUYRKSA-N 2 0 218.316 0.733 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000575987473 365437016 /nfs/dbraw/zinc/43/70/16/365437016.db2.gz YBLKPSZASSIGAP-DCAQKATOSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N1CCC(CC[NH3+])CC1 ZINC000575994824 365440203 /nfs/dbraw/zinc/44/02/03/365440203.db2.gz ZMTOHVQQIWSFHG-SECBINFHSA-N 2 0 228.340 0.104 20 0 BCADRP [NH3+]CCC[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000575994717 365440210 /nfs/dbraw/zinc/44/02/10/365440210.db2.gz UISXFNCLXRUDOG-NXEZZACHSA-N 2 0 216.350 0.542 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000579590302 366894401 /nfs/dbraw/zinc/89/44/01/366894401.db2.gz WXKMDPCJNYJNOD-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CC[C@H](C)[NH3+] ZINC000576109050 365490556 /nfs/dbraw/zinc/49/05/56/365490556.db2.gz JRRPSNPJKBZOFP-XHNCKOQMSA-N 2 0 201.314 0.356 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000576134427 365497590 /nfs/dbraw/zinc/49/75/90/365497590.db2.gz CHYROCVPOPYMJS-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000576159320 365504333 /nfs/dbraw/zinc/50/43/33/365504333.db2.gz VJGCPCYKJQCCFQ-PSASIEDQSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)C[NH2+]CC1CC1 ZINC000576159525 365504409 /nfs/dbraw/zinc/50/44/09/365504409.db2.gz ZUJDQTQDEKHTPU-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP CNC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156091544 541485438 /nfs/dbraw/zinc/48/54/38/541485438.db2.gz DNJMYYOWMSOZPY-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP CC[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000579730027 366996737 /nfs/dbraw/zinc/99/67/37/366996737.db2.gz SOVIEFWGIVSRHM-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000579712381 366984454 /nfs/dbraw/zinc/98/44/54/366984454.db2.gz UDXRMGZNBMVBEK-ZJUUUORDSA-N 2 0 239.363 0.713 20 0 BCADRP COCC[NH2+]CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000579733115 366997907 /nfs/dbraw/zinc/99/79/07/366997907.db2.gz FHELTUBREYSTPC-MNOVXSKESA-N 2 0 215.341 0.082 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000579833704 367038223 /nfs/dbraw/zinc/03/82/23/367038223.db2.gz FUJVGZNEISFAJR-OPDFLTKYSA-N 2 0 249.358 0.054 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000579833702 367038387 /nfs/dbraw/zinc/03/83/87/367038387.db2.gz FUJVGZNEISFAJR-MNXVOIDGSA-N 2 0 249.358 0.054 20 0 BCADRP C[C@@]1(C(=O)N[C@H](CC[NH3+])C(F)F)CCC[NH2+]1 ZINC000579835841 367040009 /nfs/dbraw/zinc/04/00/09/367040009.db2.gz QXDHTGSCDYBBTG-XCBNKYQSSA-N 2 0 235.278 0.227 20 0 BCADRP CC(C)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000579853026 367051940 /nfs/dbraw/zinc/05/19/40/367051940.db2.gz ABIUYGZFXROWPX-GHMZBOCLSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CC[NH2+]C1CC1 ZINC000579858100 367055024 /nfs/dbraw/zinc/05/50/24/367055024.db2.gz QVRKINYWRNAIHE-NXEZZACHSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CC[NH2+]C1CC1 ZINC000579858246 367055120 /nfs/dbraw/zinc/05/51/20/367055120.db2.gz VVYAFSZBOPIEOF-DTWKUNHWSA-N 2 0 213.325 0.371 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000579859403 367055297 /nfs/dbraw/zinc/05/52/97/367055297.db2.gz QSFFTLOYYNAMJF-GHMZBOCLSA-N 2 0 227.352 0.348 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000579961775 367103791 /nfs/dbraw/zinc/10/37/91/367103791.db2.gz QOGJVHSMZZBNGD-IUCAKERBSA-N 2 0 247.289 0.322 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193500408 367184919 /nfs/dbraw/zinc/18/49/19/367184919.db2.gz AXSMSWJOYWVCSV-IVZWLZJFSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@@H](NC(=O)[C@H](C[NH3+])c1ccccc1)[C@H](C)[NH3+] ZINC000580832911 367180810 /nfs/dbraw/zinc/18/08/10/367180810.db2.gz KKNBMDCSHCTYOG-HOSYDEDBSA-N 2 0 235.331 0.581 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)[C@H](C)[NH3+] ZINC000580831980 367181487 /nfs/dbraw/zinc/18/14/87/367181487.db2.gz NKSCUODKALQESI-GRYCIOLGSA-N 2 0 241.379 0.912 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000580709408 367147720 /nfs/dbraw/zinc/14/77/20/367147720.db2.gz YAQMLPCYOAVXHB-GRYCIOLGSA-N 2 0 239.363 0.620 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000580951232 367214508 /nfs/dbraw/zinc/21/45/08/367214508.db2.gz DPKFBOMACQZKMY-GMTAPVOTSA-N 2 0 227.352 0.631 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000581132518 367273505 /nfs/dbraw/zinc/27/35/05/367273505.db2.gz WHDIPMADHLRMDL-DMDPSCGWSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000581142062 367275887 /nfs/dbraw/zinc/27/58/87/367275887.db2.gz IVBGXORDWONHGT-GXSJLCMTSA-N 2 0 221.304 0.411 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H]([NH3+])CC(F)F ZINC000581010447 367234034 /nfs/dbraw/zinc/23/40/34/367234034.db2.gz ICGGGFXATADWNY-SSDOTTSWSA-N 2 0 237.294 0.603 20 0 BCADRP CC[C@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000581012598 367235425 /nfs/dbraw/zinc/23/54/25/367235425.db2.gz ITKRTJJFOVWTLS-OLZOCXBDSA-N 2 0 241.379 0.391 20 0 BCADRP O=C(N1CCC[C@]2(CC[NH2+]C2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000581012124 367235541 /nfs/dbraw/zinc/23/55/41/367235541.db2.gz BMLOECDEHWXYRF-BNOWGMLFSA-N 2 0 249.358 0.341 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000581061732 367248227 /nfs/dbraw/zinc/24/82/27/367248227.db2.gz MVLFANDANCNHAI-LLVKDONJSA-N 2 0 242.367 0.317 20 0 BCADRP C[NH2+]Cc1ccccc1NC(=O)COC1C[NH2+]C1 ZINC000581071288 367252220 /nfs/dbraw/zinc/25/22/20/367252220.db2.gz DARGTVZLVYUVHV-UHFFFAOYSA-N 2 0 249.314 0.333 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000381020740 367334838 /nfs/dbraw/zinc/33/48/38/367334838.db2.gz AARLSWOBZTYJOW-UWVGGRQHSA-N 2 0 213.325 0.311 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)CCCC[NH3+] ZINC000381031546 367338027 /nfs/dbraw/zinc/33/80/27/367338027.db2.gz ALKKNRJNVBAEHF-UHFFFAOYSA-N 2 0 215.341 0.749 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C[NH2+]C1CC1 ZINC000581180491 367284947 /nfs/dbraw/zinc/28/49/47/367284947.db2.gz PAJIJDMLELTJIJ-KOLCDFICSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000581251732 367308884 /nfs/dbraw/zinc/30/88/84/367308884.db2.gz JLBOPSVCSDKLBK-NTZNESFSSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000381344946 367384129 /nfs/dbraw/zinc/38/41/29/367384129.db2.gz YSHSBUHSPAGXMU-LPEHRKFASA-N 2 0 213.325 0.167 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(C)(C)C[NH3+] ZINC000381373305 367390355 /nfs/dbraw/zinc/39/03/55/367390355.db2.gz IEWWCSTTYOFPRV-DTWKUNHWSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@@H](NC(=O)CCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000381426186 367400347 /nfs/dbraw/zinc/40/03/47/367400347.db2.gz YVYMJTACBKEZIV-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000381436841 367403434 /nfs/dbraw/zinc/40/34/34/367403434.db2.gz YEDOIODSXKEILO-KXUCPTDWSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H](C)C[NH3+] ZINC000381452703 367407359 /nfs/dbraw/zinc/40/73/59/367407359.db2.gz IBBAZHDRLQLJFK-OPRDCNLKSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@H](C[NH3+])NC(=O)c1ccc(C[NH3+])cc1 ZINC000381548943 367428408 /nfs/dbraw/zinc/42/84/08/367428408.db2.gz LZKDPABNZLQRBH-MRVPVSSYSA-N 2 0 207.277 0.222 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)C[NH3+])C1 ZINC000381285699 367374939 /nfs/dbraw/zinc/37/49/39/367374939.db2.gz ZNUYHOPYESRHIM-NXEZZACHSA-N 2 0 213.325 0.039 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000581429120 367466929 /nfs/dbraw/zinc/46/69/29/367466929.db2.gz XFTRHEGLNVMKBC-GHMZBOCLSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000381604030 367436552 /nfs/dbraw/zinc/43/65/52/367436552.db2.gz OMKKCQDKAHDKBV-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@H](C)CCCC[NH3+] ZINC000382549795 367536951 /nfs/dbraw/zinc/53/69/51/367536951.db2.gz HCBGERUJKYLNAB-GHMZBOCLSA-N 2 0 218.341 0.491 20 0 BCADRP COC[C@@](C)(O)C[NH2+][C@H](C)CCC[NH3+] ZINC000382560537 367540021 /nfs/dbraw/zinc/54/00/21/367540021.db2.gz LKWYUVNIVSXGJQ-ZJUUUORDSA-N 2 0 204.314 0.101 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@H](C)CCC[NH3+] ZINC000382560534 367540053 /nfs/dbraw/zinc/54/00/53/367540053.db2.gz LKWYUVNIVSXGJQ-NXEZZACHSA-N 2 0 204.314 0.101 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000382571534 367542318 /nfs/dbraw/zinc/54/23/18/367542318.db2.gz RNDYNHWBRONDMU-UMSGYPCISA-N 2 0 244.379 0.702 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000581488184 367518882 /nfs/dbraw/zinc/51/88/82/367518882.db2.gz SYGFDVMBQICIOZ-SVRRBLITSA-N 2 0 235.278 0.226 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC1CC[NH+](C)CC1 ZINC000383161401 367601953 /nfs/dbraw/zinc/60/19/53/367601953.db2.gz NVFZXCFZPOXGBZ-VIFPVBQESA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000383644570 367646872 /nfs/dbraw/zinc/64/68/72/367646872.db2.gz CDKUAMJBUBDWQD-AAEUAGOBSA-N 2 0 243.395 0.371 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN(C)CC[NH+]1CCCC1 ZINC000383790108 367653200 /nfs/dbraw/zinc/65/32/00/367653200.db2.gz QUUIWGVVOITVDG-ZDUSSCGKSA-N 2 0 243.395 0.327 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000581666239 367665986 /nfs/dbraw/zinc/66/59/86/367665986.db2.gz JLDMNQORFYBXNT-NQBHXWOUSA-N 2 0 237.347 0.244 20 0 BCADRP Cn1cncc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000384223620 367675704 /nfs/dbraw/zinc/67/57/04/367675704.db2.gz DVLHTJFKVFYWEY-VHSXEESVSA-N 2 0 208.309 0.780 20 0 BCADRP Cn1cncc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000384223618 367675899 /nfs/dbraw/zinc/67/58/99/367675899.db2.gz DVLHTJFKVFYWEY-NXEZZACHSA-N 2 0 208.309 0.780 20 0 BCADRP CC1CC[NH+](CCCNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000384772200 367729768 /nfs/dbraw/zinc/72/97/68/367729768.db2.gz HKSFJHHYHVBOTD-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)C[C@H](CNC(=O)[C@H]1CC[NH2+]1)[NH+](C)C ZINC000384776273 367729782 /nfs/dbraw/zinc/72/97/82/367729782.db2.gz INQKUESJKMCVCU-GHMZBOCLSA-N 2 0 227.352 0.441 20 0 BCADRP Cc1cnn(CC[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000384798589 367734064 /nfs/dbraw/zinc/73/40/64/367734064.db2.gz XHNJIKJLOSJESR-UHFFFAOYSA-N 2 0 208.309 0.613 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CC[NH2+]1 ZINC000384832569 367739373 /nfs/dbraw/zinc/73/93/73/367739373.db2.gz LMRRWFBRNSNWKV-GMTAPVOTSA-N 2 0 223.320 0.091 20 0 BCADRP Cc1cnccc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000384931180 367760089 /nfs/dbraw/zinc/76/00/89/367760089.db2.gz HKQXHKZHKSNGDZ-UHFFFAOYSA-N 2 0 248.374 0.727 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](O)[C@H]1C ZINC000385050223 367778569 /nfs/dbraw/zinc/77/85/69/367778569.db2.gz SLDBBFATGZGYHJ-GRYCIOLGSA-N 2 0 230.352 0.144 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CCCC[NH3+] ZINC000566200562 326011942 /nfs/dbraw/zinc/01/19/42/326011942.db2.gz SMOYZAPZDNRVCK-NSHDSACASA-N 2 0 229.368 0.947 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000581883416 367873946 /nfs/dbraw/zinc/87/39/46/367873946.db2.gz FLQDJYCHFJCABG-GMTAPVOTSA-N 2 0 227.352 0.603 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000581885219 367876211 /nfs/dbraw/zinc/87/62/11/367876211.db2.gz MKGGUHISOZWGTR-ONGXEEELSA-N 2 0 225.336 0.195 20 0 BCADRP [NH3+]CCCC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000581823421 367832837 /nfs/dbraw/zinc/83/28/37/367832837.db2.gz FZLDTTOLIFHYET-UHFFFAOYSA-N 2 0 219.288 0.967 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000566191729 326009350 /nfs/dbraw/zinc/00/93/50/326009350.db2.gz CFZPIHWXSAMBPN-IVZWLZJFSA-N 2 0 230.356 0.409 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000581933578 367960387 /nfs/dbraw/zinc/96/03/87/367960387.db2.gz JXGZBASCPDRHDA-LLVKDONJSA-N 2 0 244.383 0.657 20 0 BCADRP C[C@@H](O)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000386891212 368030984 /nfs/dbraw/zinc/03/09/84/368030984.db2.gz KFSJDJQZKRXYSL-IACCCYARSA-N 2 0 212.337 0.971 20 0 BCADRP C[C@@H]([NH3+])CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000442667078 201582554 /nfs/dbraw/zinc/58/25/54/201582554.db2.gz VDBQPVNPPMQRMM-YPMHNXCESA-N 2 0 225.380 0.997 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000581992633 368074578 /nfs/dbraw/zinc/07/45/78/368074578.db2.gz HVVQBDZLCVOYDS-GMXVVIOVSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000581992695 368074856 /nfs/dbraw/zinc/07/48/56/368074856.db2.gz OLRQUMVPADYMCM-ZDUSSCGKSA-N 2 0 241.379 0.880 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000387457974 368206112 /nfs/dbraw/zinc/20/61/12/368206112.db2.gz OXTXONQIQOIWKH-SNVBAGLBSA-N 2 0 229.368 0.688 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000566551356 326061430 /nfs/dbraw/zinc/06/14/30/326061430.db2.gz SDTXZBDBVUIIOO-UTUOFQBUSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000566854327 326088466 /nfs/dbraw/zinc/08/84/66/326088466.db2.gz GXRXJZFBKHUFOW-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000081018625 368566629 /nfs/dbraw/zinc/56/66/29/368566629.db2.gz FCVQJOTZNMDWEL-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)C[C@H](CNC(N)=[NH2+])[NH+]1CCCC1 ZINC000066245078 368642591 /nfs/dbraw/zinc/64/25/91/368642591.db2.gz WDTHBMRWOMANPN-SNVBAGLBSA-N 2 0 212.341 0.980 20 0 BCADRP CC[NH+](CC)CC(=O)NCC[N@H+](C)C1CC1 ZINC000066923941 368668276 /nfs/dbraw/zinc/66/82/76/368668276.db2.gz UJOSWDLYIPVCHC-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000067573375 368692708 /nfs/dbraw/zinc/69/27/08/368692708.db2.gz WOKNGTQMPOFEFM-GFCCVEGCSA-N 2 0 241.379 0.927 20 0 BCADRP CN1C[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])CCC1=O ZINC000567260309 326152475 /nfs/dbraw/zinc/15/24/75/326152475.db2.gz GUICPHUYDZWUPV-UTUOFQBUSA-N 2 0 239.363 0.857 20 0 BCADRP COCCOCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086402443 368880106 /nfs/dbraw/zinc/88/01/06/368880106.db2.gz IKTZXWSAAMQJPN-RYUDHWBXSA-N 2 0 230.352 0.899 20 0 BCADRP C[N@H+](C[C@@H]1CCc2ncnn21)[C@H]1CCC[NH2+]CC1 ZINC000631823455 368982390 /nfs/dbraw/zinc/98/23/90/368982390.db2.gz FDFOJRNHSOAOMH-RYUDHWBXSA-N 2 0 249.362 0.839 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091394509 369011629 /nfs/dbraw/zinc/01/16/29/369011629.db2.gz WMDKXCDYJDOFSY-LBPRGKRZSA-N 2 0 241.379 0.927 20 0 BCADRP [NH3+][C@H]1CCCCCN(CCN2CC[NH2+]CC2)C1 ZINC000631835633 369048409 /nfs/dbraw/zinc/04/84/09/369048409.db2.gz WNQBZEZXNHMEKR-ZDUSSCGKSA-N 2 0 240.395 0.095 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000623661816 369075624 /nfs/dbraw/zinc/07/56/24/369075624.db2.gz DRVICHOOIYLWGY-DDHJBXDOSA-N 2 0 237.347 0.467 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000567406974 326184800 /nfs/dbraw/zinc/18/48/00/326184800.db2.gz YCRJFLMGRYPHMV-VHSXEESVSA-N 2 0 213.325 0.243 20 0 BCADRP C[C@@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)C1C[NH2+]C1 ZINC000567612360 326228994 /nfs/dbraw/zinc/22/89/94/326228994.db2.gz LFRTWHKKFCHVOP-PWSUYJOCSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H](CCC1CC1)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000567638993 326236206 /nfs/dbraw/zinc/23/62/06/326236206.db2.gz GANPMDQUFLXXED-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000567673230 326242734 /nfs/dbraw/zinc/24/27/34/326242734.db2.gz HVZWPIKUBGHEHQ-DTWKUNHWSA-N 2 0 211.309 0.111 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C[NH2+]C1CC1 ZINC000390668515 369400302 /nfs/dbraw/zinc/40/03/02/369400302.db2.gz UVPJNHGJXVEZBW-UHFFFAOYSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404906487 369439149 /nfs/dbraw/zinc/43/91/49/369439149.db2.gz YWVTWGVTKLUCJW-SDDRHHMPSA-N 2 0 241.379 0.912 20 0 BCADRP CCN(C)C(=O)CCN1C[C@@H]([NH3+])C[C@@H]1C ZINC000631861974 369474574 /nfs/dbraw/zinc/47/45/74/369474574.db2.gz KGSUWZQXJCPKAQ-UWVGGRQHSA-N 2 0 213.325 0.276 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000567811466 326261028 /nfs/dbraw/zinc/26/10/28/326261028.db2.gz KBDAGBKDFCGCTG-SNVBAGLBSA-N 2 0 227.352 0.633 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000567831556 326265834 /nfs/dbraw/zinc/26/58/34/326265834.db2.gz POWMUEWWGSQYCF-SNVBAGLBSA-N 2 0 221.304 0.540 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000567833978 326266268 /nfs/dbraw/zinc/26/62/68/326266268.db2.gz RJLFLKIRVAZUFM-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]C[C@@H](O)C[NH2+]CC1(O)CCC(C)CC1 ZINC000567876133 326275468 /nfs/dbraw/zinc/27/54/68/326275468.db2.gz PBBWQPAQTJIHFY-MOENNCHZSA-N 2 0 230.352 0.098 20 0 BCADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)[C@H](C)[NH3+] ZINC000166026543 203388078 /nfs/dbraw/zinc/38/80/78/203388078.db2.gz XZJXJPHWHVAZMN-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567912995 326282381 /nfs/dbraw/zinc/28/23/81/326282381.db2.gz ZVYFROJEZJUWKP-APLZJWDSSA-N 2 0 225.336 0.226 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+](C)C)C1 ZINC000619900545 369632093 /nfs/dbraw/zinc/63/20/93/369632093.db2.gz CZJWKRZOUSRXSN-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000567971588 326288252 /nfs/dbraw/zinc/28/82/52/326288252.db2.gz JFZLOWMIPFGCCU-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000620207446 369767518 /nfs/dbraw/zinc/76/75/18/369767518.db2.gz KGVZIOYFCQAQTN-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP CC[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000251853875 369977929 /nfs/dbraw/zinc/97/79/29/369977929.db2.gz NJOQADPZXQXZSN-NWDGAFQWSA-N 2 0 211.353 0.764 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000309746776 370253530 /nfs/dbraw/zinc/25/35/30/370253530.db2.gz FULFXGVNYXEXOJ-LPEHRKFASA-N 2 0 213.325 0.038 20 0 BCADRP [NH3+]CCCC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000309652355 370240244 /nfs/dbraw/zinc/24/02/44/370240244.db2.gz YCNSORDJCHYFJD-UWVGGRQHSA-N 2 0 213.325 0.359 20 0 BCADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(N)=O ZINC000112979396 370368075 /nfs/dbraw/zinc/36/80/75/370368075.db2.gz YFNSWCIEYFMQDO-UHFFFAOYSA-N 2 0 230.356 0.271 20 0 BCADRP [NH3+]CCCC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000621490985 370370820 /nfs/dbraw/zinc/37/08/20/370370820.db2.gz GKBDRZGTDSCEED-UHFFFAOYSA-N 2 0 248.330 0.469 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CN(C)C[C@H]2C)C1 ZINC000621387796 370330696 /nfs/dbraw/zinc/33/06/96/370330696.db2.gz OTHQWGIYCNVBKH-YUSALJHKSA-N 2 0 225.336 0.147 20 0 BCADRP [NH3+]C1(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC000621683514 370432631 /nfs/dbraw/zinc/43/26/31/370432631.db2.gz XDZMARXFFRHJQB-CABZTGNLSA-N 2 0 223.320 0.208 20 0 BCADRP C[C@]1(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC[NH2+]C1 ZINC000621684074 370433767 /nfs/dbraw/zinc/43/37/67/370433767.db2.gz HFTVBYAKTWIAQH-DRZSPHRISA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@H]1CCC[NH2+]1)C2 ZINC000621683897 370433925 /nfs/dbraw/zinc/43/39/25/370433925.db2.gz DQUWNGJFIAKEIO-FOGDFJRCSA-N 2 0 223.320 0.078 20 0 BCADRP C[C@H]([NH3+])CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621656212 370413922 /nfs/dbraw/zinc/41/39/22/370413922.db2.gz JIACMYKEBNGWMT-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684730 370435021 /nfs/dbraw/zinc/43/50/21/370435021.db2.gz RKMLWHDJRIDUFF-WCABBAIRSA-N 2 0 211.309 0.064 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684889 370435049 /nfs/dbraw/zinc/43/50/49/370435049.db2.gz VELBVGQLJNTYLB-PWSUYJOCSA-N 2 0 225.336 0.326 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000621658173 370415221 /nfs/dbraw/zinc/41/52/21/370415221.db2.gz BASPCWINYJPZDP-MEWQQHAOSA-N 2 0 237.347 0.100 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C[NH2+]C1CC1)C2 ZINC000621698530 370444109 /nfs/dbraw/zinc/44/41/09/370444109.db2.gz ZYCPYNNHYNNONE-SKDRFNHKSA-N 2 0 223.320 0.078 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621699912 370446536 /nfs/dbraw/zinc/44/65/36/370446536.db2.gz DQQONNJXVVISQZ-SVDPJWKOSA-N 2 0 223.320 0.064 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000621703740 370450989 /nfs/dbraw/zinc/45/09/89/370450989.db2.gz YSRHHBQAOTVEKX-VIFPVBQESA-N 2 0 225.336 0.515 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000621703782 370452474 /nfs/dbraw/zinc/45/24/74/370452474.db2.gz HUCQYLIRHOERFW-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621686662 370436709 /nfs/dbraw/zinc/43/67/09/370436709.db2.gz WSBYPNBNJHLYFG-KGYLQXTDSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000568390398 326352968 /nfs/dbraw/zinc/35/29/68/326352968.db2.gz LHNMFLUUIFEGJW-IVZWLZJFSA-N 2 0 230.356 0.539 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](C)CCC[NH3+] ZINC000568390399 326353204 /nfs/dbraw/zinc/35/32/04/326353204.db2.gz LHNMFLUUIFEGJW-LPEHRKFASA-N 2 0 230.356 0.539 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C[C@H]1CCC[NH2+]C1)C2 ZINC000621777302 370525425 /nfs/dbraw/zinc/52/54/25/370525425.db2.gz ABNXYQHTMGUWHA-XQQFMLRXSA-N 2 0 223.364 0.799 20 0 BCADRP C[N@@H+]1CCN(C[C@@H]2CC[NH2+]C2)C(C)(C)C1 ZINC000621776609 370525574 /nfs/dbraw/zinc/52/55/74/370525574.db2.gz PXQGUVUVJBUFJI-LLVKDONJSA-N 2 0 211.353 0.622 20 0 BCADRP c1cncc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000078777440 370599611 /nfs/dbraw/zinc/59/96/11/370599611.db2.gz OBISGFVIYDEALW-CHWSQXEVSA-N 2 0 217.316 0.775 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000568620411 326367731 /nfs/dbraw/zinc/36/77/31/326367731.db2.gz ZBTABISDLHHQIB-DCAQKATOSA-N 2 0 227.352 0.476 20 0 BCADRP CC(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000568651017 326371134 /nfs/dbraw/zinc/37/11/34/326371134.db2.gz GAKOZCLFBHLHEN-WOPDTQHZSA-N 2 0 225.336 0.467 20 0 BCADRP CO[C@H]1C[C@H]([NH2+]Cc2cnc(C)n2C)C1 ZINC000623809194 371105415 /nfs/dbraw/zinc/10/54/15/371105415.db2.gz VJYRQTXTXVHROA-HOMQSWHASA-N 2 0 209.293 0.996 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC000569113453 326391061 /nfs/dbraw/zinc/39/10/61/326391061.db2.gz NBICZQPCOZMVDW-LLVKDONJSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000569240928 326397181 /nfs/dbraw/zinc/39/71/81/326397181.db2.gz YJEQGEXOACJJKE-XWLWVQCSSA-N 2 0 242.367 0.552 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000569246640 326397453 /nfs/dbraw/zinc/39/74/53/326397453.db2.gz JELDMUULFAMPTF-LMLFDSFASA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+][C@@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000372901204 181546491 /nfs/dbraw/zinc/54/64/91/181546491.db2.gz BXHDTFHRNDVJGV-JQWIXIFHSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000124003491 181556462 /nfs/dbraw/zinc/55/64/62/181556462.db2.gz QTGJJULPJBMTDG-STQMWFEESA-N 2 0 247.342 0.425 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)[C@H](C)C1 ZINC000624130519 371331116 /nfs/dbraw/zinc/33/11/16/371331116.db2.gz PYFFDJVBLFUJSZ-DDHJBXDOSA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000373529640 181644147 /nfs/dbraw/zinc/64/41/47/181644147.db2.gz NZYVDWRMIKWNPX-WDEREUQCSA-N 2 0 225.336 0.468 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000309563971 181649213 /nfs/dbraw/zinc/64/92/13/181649213.db2.gz PWFGQDOMRKJXCZ-UWVGGRQHSA-N 2 0 211.309 0.078 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000334923074 181649453 /nfs/dbraw/zinc/64/94/53/181649453.db2.gz AHFDFBWNXIWKJR-JTQLQIEISA-N 2 0 240.351 0.391 20 0 BCADRP [NH3+]CCOCCN1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000631894035 371598438 /nfs/dbraw/zinc/59/84/38/371598438.db2.gz ILEULHOYPJVXEC-GFCCVEGCSA-N 2 0 249.358 0.599 20 0 BCADRP Cc1cncn1CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000627488141 371654880 /nfs/dbraw/zinc/65/48/80/371654880.db2.gz SBNUPEMDDIJWAM-NEPJUHHUSA-N 2 0 248.330 0.354 20 0 BCADRP CCN(C(=O)[C@H](C)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000627618054 371783111 /nfs/dbraw/zinc/78/31/11/371783111.db2.gz FIFUEZQCLILRHB-NSHDSACASA-N 2 0 241.379 0.879 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CCC[NH3+] ZINC000521842636 259553363 /nfs/dbraw/zinc/55/33/63/259553363.db2.gz CEPOKDPFNXYQKH-LLVKDONJSA-N 2 0 244.383 0.707 20 0 BCADRP CC(C)[NH+](CCNC(=O)C[NH+](C)C)C(C)C ZINC000171355734 372543472 /nfs/dbraw/zinc/54/34/72/372543472.db2.gz FMNVSPIFMBYKGZ-UHFFFAOYSA-N 2 0 229.368 0.783 20 0 BCADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631825886 372603622 /nfs/dbraw/zinc/60/36/22/372603622.db2.gz XVWWUDNZUBWDPB-PWSUYJOCSA-N 2 0 235.335 0.436 20 0 BCADRP [NH3+]CC1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000631821130 372595026 /nfs/dbraw/zinc/59/50/26/372595026.db2.gz PYODBRVIHPKQTO-LLVKDONJSA-N 2 0 235.335 0.436 20 0 BCADRP C[C@](C[NH3+])([NH2+]C[C@@H]1CCc2ncnn21)C1CC1 ZINC000631822551 372598383 /nfs/dbraw/zinc/59/83/83/372598383.db2.gz HVDUFSKPHHOYHW-CMPLNLGQSA-N 2 0 235.335 0.482 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631822250 372598406 /nfs/dbraw/zinc/59/84/06/372598406.db2.gz XVXBTSSXZSFDLC-SDDRHHMPSA-N 2 0 249.362 0.825 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000631822452 372598990 /nfs/dbraw/zinc/59/89/90/372598990.db2.gz DJRLOQLKAGJWHT-VWYCJHECSA-N 2 0 235.335 0.435 20 0 BCADRP C[C@@H]1CC[N@H+](C[C@H]2CCc3ncnn32)C[C@@H]1C[NH3+] ZINC000631828842 372609078 /nfs/dbraw/zinc/60/90/78/372609078.db2.gz ZUIAANGCMZJLGM-GRYCIOLGSA-N 2 0 249.362 0.682 20 0 BCADRP OCC1([NH2+]C[C@@H]2CCCCO2)CC[NH2+]CC1 ZINC000631829489 372611313 /nfs/dbraw/zinc/61/13/13/372611313.db2.gz RIQHJAXNTVEXII-NSHDSACASA-N 2 0 228.336 0.260 20 0 BCADRP C[C@@H]1OCC[C@H]1C[N@H+](C)CCOCC[NH3+] ZINC000631830040 372612756 /nfs/dbraw/zinc/61/27/56/372612756.db2.gz HWNIDJOIWQNUKJ-QWRGUYRKSA-N 2 0 216.325 0.319 20 0 BCADRP [NH3+]Cc1ccc2c(c1)N(C[C@@H]1CC[NH2+]C1)CCO2 ZINC000631831134 372614240 /nfs/dbraw/zinc/61/42/40/372614240.db2.gz SDIZYAHQQQBARU-GFCCVEGCSA-N 2 0 247.342 0.954 20 0 BCADRP C[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1C[NH3+] ZINC000631837103 372627179 /nfs/dbraw/zinc/62/71/79/372627179.db2.gz MUSJUZDXDVHRSJ-OPRDCNLKSA-N 2 0 234.290 0.937 20 0 BCADRP C(CN1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000631849027 372647226 /nfs/dbraw/zinc/64/72/26/372647226.db2.gz UNHCLMDVCIITLF-SRVKXCTJSA-N 2 0 209.337 0.422 20 0 BCADRP C(CN1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000631853298 372653515 /nfs/dbraw/zinc/65/35/15/372653515.db2.gz UIZYATIUMGRLDR-UPJWGTAASA-N 2 0 223.364 0.812 20 0 BCADRP OCC[NH2+]C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000631862934 372664971 /nfs/dbraw/zinc/66/49/71/372664971.db2.gz VQUMMFKFKLLWSV-LBPRGKRZSA-N 2 0 241.379 0.032 20 0 BCADRP OCC[NH2+]C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000631862824 372665283 /nfs/dbraw/zinc/66/52/83/372665283.db2.gz OHHWUPLWZNIUOX-GFCCVEGCSA-N 3 0 241.379 0.032 20 0 BCADRP CCCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000631865188 372666221 /nfs/dbraw/zinc/66/62/21/372666221.db2.gz CFNWNXTWHVDQSB-UHFFFAOYSA-N 2 0 200.326 0.833 20 0 BCADRP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867671 372669665 /nfs/dbraw/zinc/66/96/65/372669665.db2.gz YQZGNRZUZMEVLO-XQQFMLRXSA-N 3 0 223.364 0.718 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631883880 372673916 /nfs/dbraw/zinc/67/39/16/372673916.db2.gz DACBGVCXHPVEGG-YNEHKIRRSA-N 2 0 223.364 0.670 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000376453206 181976044 /nfs/dbraw/zinc/97/60/44/181976044.db2.gz CRTLYAPZUZRUNX-RYUDHWBXSA-N 2 0 237.347 0.196 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726696 182017734 /nfs/dbraw/zinc/01/77/34/182017734.db2.gz PVGSQDHCMWNFJX-WDEREUQCSA-N 2 0 237.347 0.481 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249733165 182027268 /nfs/dbraw/zinc/02/72/68/182027268.db2.gz BXOHPQBETDFVMX-NEPJUHHUSA-N 2 0 237.347 0.435 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000227640515 182029180 /nfs/dbraw/zinc/02/91/80/182029180.db2.gz ZBYAEIIPXFZMDY-GHMZBOCLSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632854291 373192101 /nfs/dbraw/zinc/19/21/01/373192101.db2.gz DPLFGEWGHCXRTN-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632862293 373197069 /nfs/dbraw/zinc/19/70/69/373197069.db2.gz AQVSPPMBZHSXGL-RYUDHWBXSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000632868784 373198462 /nfs/dbraw/zinc/19/84/62/373198462.db2.gz VPYIAQGKXPBWKU-WDEREUQCSA-N 2 0 247.342 0.745 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632879474 373205615 /nfs/dbraw/zinc/20/56/15/373205615.db2.gz TYUGNCHHWZPSOS-GMTAPVOTSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632879477 373205938 /nfs/dbraw/zinc/20/59/38/373205938.db2.gz TYUGNCHHWZPSOS-VWYCJHECSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH+](C)CCC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000178192624 205630622 /nfs/dbraw/zinc/63/06/22/205630622.db2.gz BQOUGMPLBHBTTP-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP O=C(NCCC[NH+]1CCCC1)[C@]1(F)CC[NH2+]C1 ZINC000366331051 182167018 /nfs/dbraw/zinc/16/70/18/182167018.db2.gz SVQUSRVGRIOHOH-LBPRGKRZSA-N 2 0 243.326 0.290 20 0 BCADRP O=C(NCC[NH+]1CCCCC1)[C@@]1(F)CC[NH2+]C1 ZINC000370762854 182185086 /nfs/dbraw/zinc/18/50/86/182185086.db2.gz BZDCVUKMVFNXGD-GFCCVEGCSA-N 2 0 243.326 0.290 20 0 BCADRP O=C(NCC[NH+]1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000049575453 182184279 /nfs/dbraw/zinc/18/42/79/182184279.db2.gz ZDCCZJIGIFPDOV-GFCCVEGCSA-N 2 0 239.363 0.731 20 0 BCADRP O=C(NCC[NH2+]C1CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000373864154 182189414 /nfs/dbraw/zinc/18/94/14/182189414.db2.gz UVEYMGUIUNJQQE-ZWNOBZJWSA-N 2 0 237.347 0.244 20 0 BCADRP C[NH2+]CCCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000633952031 373853181 /nfs/dbraw/zinc/85/31/81/373853181.db2.gz OGUDWQWBWRRPTB-JTQLQIEISA-N 2 0 228.340 0.037 20 0 BCADRP O=C(NCC[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000035663387 182185634 /nfs/dbraw/zinc/18/56/34/182185634.db2.gz PZBASLRULUTMNC-LLVKDONJSA-N 2 0 225.336 0.198 20 0 BCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000131839227 182199819 /nfs/dbraw/zinc/19/98/19/182199819.db2.gz KUOUPIYBLBPUOQ-RYUDHWBXSA-N 2 0 239.363 0.634 20 0 BCADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1CCCCC[NH2+]1 ZINC000364470828 182201216 /nfs/dbraw/zinc/20/12/16/182201216.db2.gz YIDLVZURXVKLQP-VXGBXAGGSA-N 2 0 239.363 0.634 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000634076416 373941544 /nfs/dbraw/zinc/94/15/44/373941544.db2.gz VXVZVHKYYLNAHR-MNOVXSKESA-N 2 0 242.367 0.555 20 0 BCADRP CC(C)[C@H]1CN(C(=O)CC[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000634300522 374127135 /nfs/dbraw/zinc/12/71/35/374127135.db2.gz BHGWGOOZCCGQCR-VXGBXAGGSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634270297 374084705 /nfs/dbraw/zinc/08/47/05/374084705.db2.gz MOEMPHJOCYGGLX-UWVGGRQHSA-N 2 0 228.340 0.165 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634271856 374086233 /nfs/dbraw/zinc/08/62/33/374086233.db2.gz WWYCIDWWRLLLRW-ZJUUUORDSA-N 2 0 228.340 0.117 20 0 BCADRP [NH3+]C[C@H](NC(=O)NC[C@H]1CCCC[NH2+]1)C1CC1 ZINC000634271844 374086388 /nfs/dbraw/zinc/08/63/88/374086388.db2.gz WRSFWUOOEYEETP-MNOVXSKESA-N 2 0 240.351 0.165 20 0 BCADRP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000634271846 374086403 /nfs/dbraw/zinc/08/64/03/374086403.db2.gz WRSFWUOOEYEETP-WDEREUQCSA-N 2 0 240.351 0.165 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000634272243 374086681 /nfs/dbraw/zinc/08/66/81/374086681.db2.gz ZINXUVUTNYTDIK-GHMZBOCLSA-N 2 0 240.351 0.261 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)NCC1([NH3+])CCCCC1 ZINC000418299334 205992408 /nfs/dbraw/zinc/99/24/08/205992408.db2.gz SEDLPLPKVHMNPU-SNVBAGLBSA-N 2 0 242.367 0.685 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[NH2+]CC1CC1 ZINC000193639815 205992432 /nfs/dbraw/zinc/99/24/32/205992432.db2.gz BJPUDFPILMWWLQ-ONGXEEELSA-N 2 0 225.336 0.243 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418401923 206018374 /nfs/dbraw/zinc/01/83/74/206018374.db2.gz IFMCRMZPDDLZEX-NXEZZACHSA-N 2 0 228.340 0.006 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418355373 206011514 /nfs/dbraw/zinc/01/15/14/206011514.db2.gz BJLYGTXEHLFWFM-WDEREUQCSA-N 2 0 242.367 0.555 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000428149956 206022117 /nfs/dbraw/zinc/02/21/17/206022117.db2.gz IAHLLOYLHIHPAO-GRYCIOLGSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCNCC1(F)F ZINC000424381574 206039339 /nfs/dbraw/zinc/03/93/39/206039339.db2.gz RABJBWKWGFMBTL-ZJUUUORDSA-N 2 0 235.322 0.948 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000376992275 182295101 /nfs/dbraw/zinc/29/51/01/182295101.db2.gz LHRSIJWARSQHMY-GHMZBOCLSA-N 2 0 225.336 0.244 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)c1ccc2c(c1)C[NH2+]C2 ZINC000336548462 182304281 /nfs/dbraw/zinc/30/42/81/182304281.db2.gz FEQRGTAAIMBHGO-GFCCVEGCSA-N 2 0 231.299 0.382 20 0 BCADRP C[C@@H](NC(=O)[C@](C)([NH3+])c1ccccc1)[C@H](C)[NH3+] ZINC000449601660 206099705 /nfs/dbraw/zinc/09/97/05/206099705.db2.gz NLJQDWGEWRVFDZ-OPQQBVKSSA-N 2 0 235.331 0.712 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCCCC[NH2+]1 ZINC000375287146 182329345 /nfs/dbraw/zinc/32/93/45/182329345.db2.gz NKKOPVVXOBDSMM-QWRGUYRKSA-N 2 0 225.336 0.387 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000376992279 182329482 /nfs/dbraw/zinc/32/94/82/182329482.db2.gz LHRSIJWARSQHMY-MNOVXSKESA-N 2 0 225.336 0.244 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000377756106 182617286 /nfs/dbraw/zinc/61/72/86/182617286.db2.gz OODUDYNOBKRNAZ-UTUOFQBUSA-N 2 0 237.347 0.054 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000178407279 134310080 /nfs/dbraw/zinc/31/00/80/134310080.db2.gz JTQPHTHSFHDBIA-SNVBAGLBSA-N 2 0 239.363 0.844 20 0 BCADRP C[NH2+]CCCC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000178702789 134313171 /nfs/dbraw/zinc/31/31/71/134313171.db2.gz GPWUHCYHPQOWSA-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP OCC[NH+]1CCC(C[NH2+]Cc2cc[nH]c2)CC1 ZINC000238184882 183073068 /nfs/dbraw/zinc/07/30/68/183073068.db2.gz LTEIBVKQZUPADC-UHFFFAOYSA-N 2 0 237.347 0.809 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C[NH+](CC)CC ZINC000162741792 169002698 /nfs/dbraw/zinc/00/26/98/169002698.db2.gz SEDPBGGCMVEJON-LLVKDONJSA-N 2 0 229.368 0.962 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812657 169005430 /nfs/dbraw/zinc/00/54/30/169005430.db2.gz SVFVKHKJNNADDZ-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359381638 169006159 /nfs/dbraw/zinc/00/61/59/169006159.db2.gz BXNZRZKILKTZLA-DCAQKATOSA-N 2 0 225.336 0.182 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@H](C)[NH2+]CC ZINC000309450579 169006829 /nfs/dbraw/zinc/00/68/29/169006829.db2.gz MLMYIFWUBUDSOD-UWVGGRQHSA-N 2 0 215.341 0.618 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000037643487 169007860 /nfs/dbraw/zinc/00/78/60/169007860.db2.gz WDTGCNHBASYULQ-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP COC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220925251 134315036 /nfs/dbraw/zinc/31/50/36/134315036.db2.gz HCXAGAROAJLFSV-NWDGAFQWSA-N 2 0 240.347 0.966 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[C@H](C)[NH3+] ZINC000309525242 169069946 /nfs/dbraw/zinc/06/99/46/169069946.db2.gz CJWXJHWILYMLLY-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP CCC[N@H+](C)CC(=O)NCc1nccn1C ZINC000359265164 169073558 /nfs/dbraw/zinc/07/35/58/169073558.db2.gz QQZHJLLODVINRP-UHFFFAOYSA-N 2 0 224.308 0.378 20 0 BCADRP CCC[N@H+](C)CC(=O)N(CC[NH+](C)C)C1CC1 ZINC000356279417 169064190 /nfs/dbraw/zinc/06/41/90/169064190.db2.gz LXLDOPBFGFOTEE-UHFFFAOYSA-N 2 0 241.379 0.881 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000226407157 169120650 /nfs/dbraw/zinc/12/06/50/169120650.db2.gz UEZXGDCJVHVMEJ-ZDUSSCGKSA-N 2 0 241.379 0.834 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000226406990 169120755 /nfs/dbraw/zinc/12/07/55/169120755.db2.gz GOWXIQYKFHJLCL-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP CCC[N@H+](CCC(=O)N(C)C)C1CC[NH2+]CC1 ZINC000037898274 169138778 /nfs/dbraw/zinc/13/87/78/169138778.db2.gz HKTDGMZIUDQSRL-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)CC[NH3+] ZINC000045708925 169155795 /nfs/dbraw/zinc/15/57/95/169155795.db2.gz YZBQHNYOMSJMMR-UHFFFAOYSA-N 2 0 201.314 0.135 20 0 BCADRP CCC[NH+]1CCC(N(C)C(=O)C2C[NH2+]C2)CC1 ZINC000091411366 169186603 /nfs/dbraw/zinc/18/66/03/169186603.db2.gz IGRXPDYBFOGZRM-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP CCC[NH+]1CCC(N(C)C(=O)CC[NH2+]C)CC1 ZINC000043605502 169186961 /nfs/dbraw/zinc/18/69/61/169186961.db2.gz SJTWOVLRVNFIBM-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP CCC[NH+]1CCC(NC(=O)C(C)(C)[NH3+])CC1 ZINC000040925191 169188100 /nfs/dbraw/zinc/18/81/00/169188100.db2.gz OIJGFXQCDQXYCK-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@@H](C)[NH3+])CC1 ZINC000040829686 169188397 /nfs/dbraw/zinc/18/83/97/169188397.db2.gz NBNSMKJNMGMLKU-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@@H](C)C[NH3+])CC1 ZINC000044806445 169188477 /nfs/dbraw/zinc/18/84/77/169188477.db2.gz LICIRSUFKSZBQF-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062116031 169188528 /nfs/dbraw/zinc/18/85/28/169188528.db2.gz HHGXRMAXAFUWBN-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000062116030 169188900 /nfs/dbraw/zinc/18/89/00/169188900.db2.gz HHGXRMAXAFUWBN-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[N@@H+]1CCCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000373799137 169193349 /nfs/dbraw/zinc/19/33/49/169193349.db2.gz HGEUDIAFGWLZTP-NWDGAFQWSA-N 2 0 241.379 0.914 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]C ZINC000120960316 169195207 /nfs/dbraw/zinc/19/52/07/169195207.db2.gz YBEXBYJAOPRQTJ-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCC[NH3+] ZINC000236764164 169195629 /nfs/dbraw/zinc/19/56/29/169195629.db2.gz XJGDEQPIWFSIIL-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000342134058 169198069 /nfs/dbraw/zinc/19/80/69/169198069.db2.gz SHHXWKKOQOWABS-LBPRGKRZSA-N 2 0 239.363 0.633 20 0 BCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228474332 169223521 /nfs/dbraw/zinc/22/35/21/169223521.db2.gz SOHSSUSWUBRXNG-QJPTWQEYSA-N 2 0 239.363 0.572 20 0 BCADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC(N)=O)C1 ZINC000336751238 169208676 /nfs/dbraw/zinc/20/86/76/169208676.db2.gz CESKDRMLDRUDRE-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP CCCNC(=O)CN(C)C1CC[NH2+]CC1 ZINC000036300927 169217979 /nfs/dbraw/zinc/21/79/79/169217979.db2.gz FFQMTZBHGYBJFT-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP CCCNC(=O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000063165809 169220990 /nfs/dbraw/zinc/22/09/90/169220990.db2.gz RIHODFAHINDKNB-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@H]1CC ZINC000353509980 169257859 /nfs/dbraw/zinc/25/78/59/169257859.db2.gz IPQQDSXXTMSCTL-MNOVXSKESA-N 2 0 227.352 0.490 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H](C[NH3+])C(C)C ZINC000336738126 169258466 /nfs/dbraw/zinc/25/84/66/169258466.db2.gz KAXHMKNQEKFCNL-JTQLQIEISA-N 2 0 215.341 0.333 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000236802867 169259400 /nfs/dbraw/zinc/25/94/00/169259400.db2.gz DDAWDSZDMWQNMY-SNVBAGLBSA-N 2 0 213.325 0.244 20 0 BCADRP CCC[C@@H](C)C[NH2+]CCN1CC[NH2+]CC1 ZINC000083347605 169359242 /nfs/dbraw/zinc/35/92/42/169359242.db2.gz JJVTWZVUUAUTOB-GFCCVEGCSA-N 2 0 213.369 0.917 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC)CC1 ZINC000038098302 169389218 /nfs/dbraw/zinc/38/92/18/169389218.db2.gz SLVXPPQGIUUFKG-LLVKDONJSA-N 2 0 227.352 0.714 20 0 BCADRP c1ncn(CC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000357074318 183548129 /nfs/dbraw/zinc/54/81/29/183548129.db2.gz FVNUYVGPTRNLMT-ZDUSSCGKSA-N 2 0 249.362 0.600 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000224422664 134347339 /nfs/dbraw/zinc/34/73/39/134347339.db2.gz CGIFUJONGZLMAW-WOPDTQHZSA-N 2 0 244.404 0.784 20 0 BCADRP O[C@@H](C[NH2+]C[C@@H]1CCSC1)C[NH+]1CCCC1 ZINC000226375306 134364837 /nfs/dbraw/zinc/36/48/37/134364837.db2.gz FXZSEKARXFJRSA-RYUDHWBXSA-N 2 0 244.404 0.786 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC000493799400 532989036 /nfs/dbraw/zinc/98/90/36/532989036.db2.gz VBXKHRVHSLRHFD-VHSXEESVSA-N 2 0 227.352 0.748 20 0 BCADRP CC[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC[C@H]1[NH3+] ZINC000648124749 383844380 /nfs/dbraw/zinc/84/43/80/383844380.db2.gz BQPKTWLVLRGTTR-HBNTYKKESA-N 2 0 241.379 0.946 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)CC[NH2+]C ZINC000069803207 383848952 /nfs/dbraw/zinc/84/89/52/383848952.db2.gz GGULXHLERNTQFO-BDAKNGLRSA-N 2 0 201.314 0.038 20 0 BCADRP COC(=O)CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000069627110 383834152 /nfs/dbraw/zinc/83/41/52/383834152.db2.gz XRQCKMKAKUPBFM-DTWKUNHWSA-N 2 0 200.282 0.219 20 0 BCADRP COC(=O)[C@H](C)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000069626992 383834833 /nfs/dbraw/zinc/83/48/33/383834833.db2.gz VGUNYJDQKMCDLX-LPEHRKFASA-N 2 0 214.309 0.607 20 0 BCADRP CC[N@H+](C)CCNC(=O)c1c[nH+]ccc1N ZINC000088112652 383882165 /nfs/dbraw/zinc/88/21/65/383882165.db2.gz RIROFVQYTRTTEH-UHFFFAOYSA-N 2 0 222.292 0.345 20 0 BCADRP C[NH2+]CCCC(=O)NC1(C)CC[NH2+]CC1 ZINC000309658458 383890356 /nfs/dbraw/zinc/89/03/56/383890356.db2.gz XBWSZUBUAAJYQO-UHFFFAOYSA-N 2 0 213.325 0.244 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000518531882 383984024 /nfs/dbraw/zinc/98/40/24/383984024.db2.gz GIQZRNMZRPGPHM-HOSYDEDBSA-N 2 0 227.352 0.285 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000648126233 383984230 /nfs/dbraw/zinc/98/42/30/383984230.db2.gz CRPCKEDNKAGXTD-MDZLAQPJSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[C@@H]1[NH3+] ZINC000648126298 383984323 /nfs/dbraw/zinc/98/43/23/383984323.db2.gz DRKIDYJYXLVRSW-HHHUOAJASA-N 2 0 237.347 0.038 20 0 BCADRP CC[C@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[C@H]1[NH3+] ZINC000648126299 383984392 /nfs/dbraw/zinc/98/43/92/383984392.db2.gz DRKIDYJYXLVRSW-PREPNJAASA-N 2 0 237.347 0.038 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[NH+](C)C ZINC000227733519 134385975 /nfs/dbraw/zinc/38/59/75/134385975.db2.gz UTUUBBMDRIAVSN-JTQLQIEISA-N 2 0 215.341 0.380 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000449358966 383971587 /nfs/dbraw/zinc/97/15/87/383971587.db2.gz HAMNSEAXTZXZCW-JOYOIKCWSA-N 2 0 237.347 0.480 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000070946082 383971973 /nfs/dbraw/zinc/97/19/73/383971973.db2.gz ZCHMETFJKSZINN-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449359711 383974719 /nfs/dbraw/zinc/97/47/19/383974719.db2.gz QULGSOSHJGCOLC-OUAUKWLOSA-N 2 0 227.352 0.605 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000300055632 383974804 /nfs/dbraw/zinc/97/48/04/383974804.db2.gz JASZTQHZGCOSBE-OUAUKWLOSA-N 2 0 227.352 0.441 20 0 BCADRP C[N@H+](C[C@H](O)CN1CCC1(C)C)C1CC1 ZINC000558460077 384021474 /nfs/dbraw/zinc/02/14/74/384021474.db2.gz WXJRZJHGJCENIO-NSHDSACASA-N 2 0 212.337 0.926 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000569339136 384022399 /nfs/dbraw/zinc/02/23/99/384022399.db2.gz QIKDKFACBVVIAT-GFCCVEGCSA-N 2 0 227.352 0.492 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)c2ccnc(C[NH3+])c2)[C@@H]1C ZINC000648127657 384053526 /nfs/dbraw/zinc/05/35/26/384053526.db2.gz DTWGHGUJIJFWOG-NXEZZACHSA-N 2 0 248.330 0.363 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000163610653 384040570 /nfs/dbraw/zinc/04/05/70/384040570.db2.gz VLOLSRVVRZIDGS-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[C@@]1(CNC(=O)[C@H]([NH3+])CC(F)F)CCC[NH2+]C1 ZINC000569456167 384062368 /nfs/dbraw/zinc/06/23/68/384062368.db2.gz VYNXCPNIJDFCFA-LDYMZIIASA-N 2 0 249.305 0.475 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000517373048 384064873 /nfs/dbraw/zinc/06/48/73/384064873.db2.gz AHWSRIMKWCYFQZ-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCCN1CC[C@@H](Nc2ncccn2)C1 ZINC000569458842 384065939 /nfs/dbraw/zinc/06/59/39/384065939.db2.gz OCULRDLRERUFPH-LLVKDONJSA-N 2 0 235.335 0.572 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC[N@@H+]1C ZINC000648128833 384072119 /nfs/dbraw/zinc/07/21/19/384072119.db2.gz SVLNFRIAJOKTDW-WHOHXGKFSA-N 2 0 239.363 0.583 20 0 BCADRP CO[C@@H](C[NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000647158804 384082495 /nfs/dbraw/zinc/08/24/95/384082495.db2.gz HRCPZZQHJWABPM-JTQLQIEISA-N 2 0 248.286 0.842 20 0 BCADRP [NH3+]CCCCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000569482891 384107215 /nfs/dbraw/zinc/10/72/15/384107215.db2.gz XUYLPJJEVFUTGE-GFCCVEGCSA-N 2 0 235.331 0.932 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C2([NH3+])CCCCC2)CC[NH2+]1 ZINC000336550408 384108780 /nfs/dbraw/zinc/10/87/80/384108780.db2.gz HAPCHQDLOZTUQK-GHMZBOCLSA-N 2 0 239.363 0.905 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[NH2+]C[C@@H]1CCC ZINC000449380976 384095555 /nfs/dbraw/zinc/09/55/55/384095555.db2.gz PUBUBBMQMWSQSV-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000648136803 384157581 /nfs/dbraw/zinc/15/75/81/384157581.db2.gz SNMZQFVDVTUBFS-DCQANWLSSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000648136805 384158958 /nfs/dbraw/zinc/15/89/58/384158958.db2.gz SNMZQFVDVTUBFS-PRULPYPASA-N 2 0 239.363 0.489 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000648138911 384163186 /nfs/dbraw/zinc/16/31/86/384163186.db2.gz CYCJGRXFAIDAJZ-ZJUUUORDSA-N 2 0 246.314 0.176 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000129088594 384163699 /nfs/dbraw/zinc/16/36/99/384163699.db2.gz GDOBCKVFWZANEG-GFCCVEGCSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000648141271 384170501 /nfs/dbraw/zinc/17/05/01/384170501.db2.gz XIVOOBUOSZDDTM-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP COCCOCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000132691500 384200397 /nfs/dbraw/zinc/20/03/97/384200397.db2.gz PNOPSKRGRTVZFD-RYUDHWBXSA-N 2 0 230.352 0.579 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)C12CCC[NH+]1CCC2 ZINC000566213674 384223536 /nfs/dbraw/zinc/22/35/36/384223536.db2.gz AAMPYALOONCNTB-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000449183845 384262248 /nfs/dbraw/zinc/26/22/48/384262248.db2.gz LLBTVXBPWJADNR-ZMLRMANQSA-N 2 0 237.347 0.480 20 0 BCADRP C[C@H](NC(=O)[C@H]1CC[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000237526740 384268512 /nfs/dbraw/zinc/26/85/12/384268512.db2.gz APQXCMJBLDLCJH-QWRGUYRKSA-N 2 0 241.379 0.688 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000569573608 384271429 /nfs/dbraw/zinc/27/14/29/384271429.db2.gz XYWCMSBYMVPSLB-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000560697726 384304761 /nfs/dbraw/zinc/30/47/61/384304761.db2.gz WBBWGXCRAGBIAT-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000560697730 384306666 /nfs/dbraw/zinc/30/66/66/384306666.db2.gz WBBWGXCRAGBIAT-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@@H](C(=O)N1CCCCC1)N1CC[C@@H](C[NH3+])C1 ZINC000224227865 384317237 /nfs/dbraw/zinc/31/72/37/384317237.db2.gz MUVQWKHGZBZUAE-RYUDHWBXSA-N 2 0 239.363 0.668 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCN1CCCC1=O ZINC000405429532 384317605 /nfs/dbraw/zinc/31/76/05/384317605.db2.gz IZPBSHAQFOLWQL-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000569578886 384283283 /nfs/dbraw/zinc/28/32/83/384283283.db2.gz BDAUDSVBZAFSLD-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH3+])[C@H](C)C1 ZINC000262651504 384342056 /nfs/dbraw/zinc/34/20/56/384342056.db2.gz ALVRUZXYEHKMES-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248504681 384345530 /nfs/dbraw/zinc/34/55/30/384345530.db2.gz VRRSODKSVUBIRP-DCAQKATOSA-N 2 0 225.336 0.276 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C[NH+](C)C)C1 ZINC000174757276 384360001 /nfs/dbraw/zinc/36/00/01/384360001.db2.gz RPBJTQVEVCNCJV-GFCCVEGCSA-N 2 0 241.379 0.738 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCCO)[C@H](C)C1 ZINC000174778956 384362651 /nfs/dbraw/zinc/36/26/51/384362651.db2.gz HVIRELVYBCESBY-OLZOCXBDSA-N 2 0 244.379 0.657 20 0 BCADRP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000300396624 384368812 /nfs/dbraw/zinc/36/88/12/384368812.db2.gz GFPXIWWRYGCJON-ZRUFSTJUSA-N 2 0 232.393 0.816 20 0 BCADRP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000300396623 384369080 /nfs/dbraw/zinc/36/90/80/384369080.db2.gz GFPXIWWRYGCJON-XWLWVQCSSA-N 2 0 232.393 0.816 20 0 BCADRP CC(C)([NH3+])CCC(=O)NC(C)(C)CC[NH3+] ZINC000648179403 384333240 /nfs/dbraw/zinc/33/32/40/384333240.db2.gz RYLYTKHFIJMWOR-UHFFFAOYSA-N 2 0 215.341 0.748 20 0 BCADRP COCCC[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000084385804 384392937 /nfs/dbraw/zinc/39/29/37/384392937.db2.gz PDBXNBSMVQGLPB-LLVKDONJSA-N 2 0 200.326 0.954 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000248884433 384403717 /nfs/dbraw/zinc/40/37/17/384403717.db2.gz UFFDKIMIQWYTJH-DRZSPHRISA-N 2 0 247.342 0.943 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C)C1 ZINC000175306860 384421502 /nfs/dbraw/zinc/42/15/02/384421502.db2.gz PJBXWIRHSWNLOZ-GFCCVEGCSA-N 2 0 241.379 0.738 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)c1ccc(C[NH3+])cc1 ZINC000517564859 384423297 /nfs/dbraw/zinc/42/32/97/384423297.db2.gz JWWDHQFGSFKNCA-SNVBAGLBSA-N 2 0 235.331 0.873 20 0 BCADRP C[C@]1(C(=O)NC[C@H]2CCC[NH2+]C2)CCCC[NH2+]1 ZINC000237764077 384376064 /nfs/dbraw/zinc/37/60/64/384376064.db2.gz MIXMDEXLXUOKOB-WCQYABFASA-N 2 0 239.363 0.634 20 0 BCADRP C[C@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CCC[NH2+]C1 ZINC000237762369 384376681 /nfs/dbraw/zinc/37/66/81/384376681.db2.gz PJKXDISRRHFWAQ-PWSUYJOCSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC[NH+]1CCCCC1 ZINC000069839971 384386901 /nfs/dbraw/zinc/38/69/01/384386901.db2.gz NKHLMGYXQNVPCO-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)CCC(C)(C)[NH3+] ZINC000648145333 384448183 /nfs/dbraw/zinc/44/81/83/384448183.db2.gz DOZAAAYJUHVJIA-QMMMGPOBSA-N 2 0 201.314 0.357 20 0 BCADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COC)CC1 ZINC000580828829 384454900 /nfs/dbraw/zinc/45/49/00/384454900.db2.gz NAFYHDWKIWKBLE-CYBMUJFWSA-N 2 0 244.379 0.705 20 0 BCADRP C[C@@H](C(=O)NC[C@H](C)[N@H+](C)C1CC1)[C@H](C)[NH3+] ZINC000249018770 384457379 /nfs/dbraw/zinc/45/73/79/384457379.db2.gz KKKUIRQKPRMSLH-AEJSXWLSSA-N 2 0 227.352 0.569 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC[N@@H+]1C ZINC000648180207 384462809 /nfs/dbraw/zinc/46/28/09/384462809.db2.gz HJMZKJHOUNKIEN-DDHJBXDOSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180393 384467299 /nfs/dbraw/zinc/46/72/99/384467299.db2.gz AKYPHWZYPCQZJX-RKDXNWHRSA-N 2 0 211.309 0.125 20 0 BCADRP CN(CC1CC[NH+](C)CC1)C(=O)C1([NH3+])CCC1 ZINC000148275047 384467824 /nfs/dbraw/zinc/46/78/24/384467824.db2.gz KGBLXRHGQMECOX-UHFFFAOYSA-N 2 0 239.363 0.668 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC[NH+](CC)CC ZINC000036871059 384459011 /nfs/dbraw/zinc/45/90/11/384459011.db2.gz JFYPQDGEFGMGOO-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP CN(C(=O)[C@H]1C[NH2+]CCC1(F)F)C1CC([NH3+])C1 ZINC000648146730 384496018 /nfs/dbraw/zinc/49/60/18/384496018.db2.gz ASDADWBRYRIOGB-AMDVSUOASA-N 2 0 247.289 0.179 20 0 BCADRP C[NH2+]CCCC(=O)N(C)C1(C[NH3+])CCC1 ZINC000648147111 384502894 /nfs/dbraw/zinc/50/28/94/384502894.db2.gz PJEQLORKSJKAQO-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCCC[NH+]1CCCC1 ZINC000037476119 384504034 /nfs/dbraw/zinc/50/40/34/384504034.db2.gz SLBHHZFFWIVCQW-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP COC(=O)CCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150818992 384509699 /nfs/dbraw/zinc/50/96/99/384509699.db2.gz PZLCKWDUXYBABS-GFCCVEGCSA-N 2 0 240.347 0.967 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH2+]3)[C@@H]2C1 ZINC000648168915 384489308 /nfs/dbraw/zinc/48/93/08/384489308.db2.gz GYELERMNZDVYQZ-IJLUTSLNSA-N 2 0 237.347 0.291 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH2+]3)[C@H]2C1 ZINC000648168918 384490851 /nfs/dbraw/zinc/49/08/51/384490851.db2.gz GYELERMNZDVYQZ-UTUOFQBUSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@@H]1CC2(CN1C(=O)[C@@H]1C[C@@H]1[NH3+])CC[NH2+]CC2 ZINC000643844945 384535798 /nfs/dbraw/zinc/53/57/98/384535798.db2.gz IQNHICHIWXEDKL-MXWKQRLJSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000648177285 384543985 /nfs/dbraw/zinc/54/39/85/384543985.db2.gz QURSKHVSQMWWOU-HTQZYQBOSA-N 2 0 201.314 0.213 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1CCC[NH2+]1 ZINC000648177330 384546450 /nfs/dbraw/zinc/54/64/50/384546450.db2.gz SYFQDKRXVYZDNK-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000561183259 384547819 /nfs/dbraw/zinc/54/78/19/384547819.db2.gz WUUWGSDQTPOSHZ-WCQYABFASA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000354406196 384551120 /nfs/dbraw/zinc/55/11/20/384551120.db2.gz JTPULUJFMYVBIX-NWDGAFQWSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000373039253 384551796 /nfs/dbraw/zinc/55/17/96/384551796.db2.gz BCEKZYUZCSYOOZ-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)CCC[NH2+]C ZINC000236711427 384555196 /nfs/dbraw/zinc/55/51/96/384555196.db2.gz AQRRSRYTLWPPFU-UHFFFAOYSA-N 2 0 229.368 0.834 20 0 BCADRP CCCCNC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000305945871 384557861 /nfs/dbraw/zinc/55/78/61/384557861.db2.gz CAIVOGQEQVVQDR-NSHDSACASA-N 2 0 245.367 0.198 20 0 BCADRP C[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])C[C@@]1(C)C[NH3+] ZINC000648177079 384537946 /nfs/dbraw/zinc/53/79/46/384537946.db2.gz CFXHJEFQTQDLHH-ZWNOBZJWSA-N 2 0 241.379 0.947 20 0 BCADRP CC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000306067008 384569464 /nfs/dbraw/zinc/56/94/64/384569464.db2.gz YYWMKFXGOAGNRW-MNOVXSKESA-N 2 0 245.367 0.197 20 0 BCADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH2+]C ZINC000236749065 384569344 /nfs/dbraw/zinc/56/93/44/384569344.db2.gz QMXKXSXFAPIASS-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP Cc1nc(N)nc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000306113284 384573198 /nfs/dbraw/zinc/57/31/98/384573198.db2.gz VDUQQTWJWSPLDL-UWVGGRQHSA-N 2 0 248.334 0.801 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+]C)CC1 ZINC000236837376 384588701 /nfs/dbraw/zinc/58/87/01/384588701.db2.gz VDGPQVMGUABNHA-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000236842406 384588813 /nfs/dbraw/zinc/58/88/13/384588813.db2.gz GWXAIOVHMAQCHP-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000236842724 384588938 /nfs/dbraw/zinc/58/89/38/384588938.db2.gz IOGLUQNORGYFMR-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000517940975 384589247 /nfs/dbraw/zinc/58/92/47/384589247.db2.gz HQWPLPKUGJOASK-XHNCKOQMSA-N 2 0 201.314 0.084 20 0 BCADRP C[C@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[C@H]1C[NH3+] ZINC000648177802 384590328 /nfs/dbraw/zinc/59/03/28/384590328.db2.gz UVZLAVITPOJKOQ-KQSJRHEJSA-N 2 0 237.347 0.180 20 0 BCADRP CC(=O)NCCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000309792111 384611285 /nfs/dbraw/zinc/61/12/85/384611285.db2.gz PKEMBASMOAHNAM-PWSUYJOCSA-N 2 0 227.352 0.442 20 0 BCADRP C[N@H+](CCOCC[NH3+])CC[C@@H]1CCOC1 ZINC000400705299 384616734 /nfs/dbraw/zinc/61/67/34/384616734.db2.gz QHCSEPWOJDASQF-LLVKDONJSA-N 2 0 216.325 0.320 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000178806553 384617736 /nfs/dbraw/zinc/61/77/36/384617736.db2.gz QWVGOQCVOPZVNA-DGCLKSJQSA-N 2 0 247.342 0.884 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000178806561 384617951 /nfs/dbraw/zinc/61/79/51/384617951.db2.gz QWVGOQCVOPZVNA-YPMHNXCESA-N 2 0 247.342 0.884 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000178806588 384618319 /nfs/dbraw/zinc/61/83/19/384618319.db2.gz QWVGOQCVOPZVNA-AAEUAGOBSA-N 2 0 247.342 0.884 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000036871813 384625800 /nfs/dbraw/zinc/62/58/00/384625800.db2.gz FPLXQTVOTIYLOJ-NSHDSACASA-N 2 0 227.352 0.666 20 0 BCADRP COC[C@@H](C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000045695878 384664677 /nfs/dbraw/zinc/66/46/77/384664677.db2.gz WDKAXNKSKSYPSD-RYUDHWBXSA-N 2 0 230.352 0.315 20 0 BCADRP C[C@]1(C[N@@H+]2CC[C@H](n3cncn3)C2)CC[NH2+]C1 ZINC000647538499 384669062 /nfs/dbraw/zinc/66/90/62/384669062.db2.gz VNUKFGKOJBGBLN-RYUDHWBXSA-N 2 0 235.335 0.525 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449084142 384640868 /nfs/dbraw/zinc/64/08/68/384640868.db2.gz FRMCKFZBDJPDGR-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C(C1CC[NH2+]CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647534047 384646490 /nfs/dbraw/zinc/64/64/90/384646490.db2.gz FKTPYXXGBGFUMF-QWHCGFSZSA-N 2 0 223.364 0.670 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000044538761 384659968 /nfs/dbraw/zinc/65/99/68/384659968.db2.gz XFRWYLLGJNMWFY-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000236874243 384724763 /nfs/dbraw/zinc/72/47/63/384724763.db2.gz IKYNDNUDLLEAKS-NEPJUHHUSA-N 2 0 241.379 0.770 20 0 BCADRP O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[NH2+]1 ZINC000444172893 384682019 /nfs/dbraw/zinc/68/20/19/384682019.db2.gz BWZLLGUVDKYBBD-GFCCVEGCSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)[NH2+]CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086932296 384720375 /nfs/dbraw/zinc/72/03/75/384720375.db2.gz WIRVFNWGEHGQCD-GFCCVEGCSA-N 2 0 211.353 0.764 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)c1coc(C[NH3+])c1 ZINC000518180714 384774379 /nfs/dbraw/zinc/77/43/79/384774379.db2.gz QHDPVPLCNLFNPA-SNVBAGLBSA-N 2 0 239.319 0.986 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368371907 384776448 /nfs/dbraw/zinc/77/64/48/384776448.db2.gz YPRFEQOEIKYLFC-LOWVWBTDSA-N 2 0 239.363 0.714 20 0 BCADRP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000316073843 384729638 /nfs/dbraw/zinc/72/96/38/384729638.db2.gz AGDRMYDVUDTJHU-STQMWFEESA-N 2 0 242.363 0.194 20 0 BCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CC(C)(C)[NH3+] ZINC000648155655 384732064 /nfs/dbraw/zinc/73/20/64/384732064.db2.gz YHJUFGPSQRSNDY-LLVKDONJSA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)([NH3+])C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546687 384732804 /nfs/dbraw/zinc/73/28/04/384732804.db2.gz VWSUORALJTVHJC-GARJFASQSA-N 3 0 211.353 0.701 20 0 BCADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000647546787 384733072 /nfs/dbraw/zinc/73/30/72/384733072.db2.gz BEDZUIQJUJYMJX-QJPTWQEYSA-N 3 0 223.364 0.846 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](N[C@H](CC[NH3+])C(F)F)C1 ZINC000647546838 384733256 /nfs/dbraw/zinc/73/32/56/384733256.db2.gz DETGIBWEZIXHHN-XHNCKOQMSA-N 2 0 221.295 0.557 20 0 BCADRP C1[NH2+]C[C@@H]2C[C@H]([NH2+][C@H]3CCCNC3)CC[C@@H]12 ZINC000647546844 384733314 /nfs/dbraw/zinc/73/33/14/384733314.db2.gz DHLZCDWZJQAELI-RVMXOQNASA-N 2 0 223.364 0.716 20 0 BCADRP C[C@@H]1CNC[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000647546641 384733502 /nfs/dbraw/zinc/73/35/02/384733502.db2.gz TUJVLDPSDZZTQA-SRVKXCTJSA-N 2 0 211.353 0.574 20 0 BCADRP C[C@H](CC[NH3+])[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546908 384733613 /nfs/dbraw/zinc/73/36/13/384733613.db2.gz GZTDDHPGCWPBMJ-DDHJBXDOSA-N 3 0 211.353 0.701 20 0 BCADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000647546788 384734033 /nfs/dbraw/zinc/73/40/33/384734033.db2.gz BEDZUIQJUJYMJX-SDDRHHMPSA-N 3 0 223.364 0.846 20 0 BCADRP CC(C)([NH3+])C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647547163 384737197 /nfs/dbraw/zinc/73/71/97/384737197.db2.gz PMEBJKVVWZXUQM-WDEREUQCSA-N 3 0 211.353 0.701 20 0 BCADRP [NH3+]CC[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(F)F ZINC000647547439 384737840 /nfs/dbraw/zinc/73/78/40/384737840.db2.gz WUJKWDMASNELDX-DBIOUOCHSA-N 2 0 247.333 0.947 20 0 BCADRP [NH3+]CCCCC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648186265 384739564 /nfs/dbraw/zinc/73/95/64/384739564.db2.gz QZRPQCFKYURMRJ-NSHDSACASA-N 2 0 239.363 0.906 20 0 BCADRP OCC1([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647548901 384739929 /nfs/dbraw/zinc/73/99/29/384739929.db2.gz ZYOFHIWVPXANIS-HBNTYKKESA-N 2 0 210.321 0.489 20 0 BCADRP [NH3+]CC[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(F)F ZINC000647547441 384740076 /nfs/dbraw/zinc/74/00/76/384740076.db2.gz WUJKWDMASNELDX-YTWAJWBKSA-N 2 0 247.333 0.947 20 0 BCADRP C[NH+](C)CC(=O)NCC[N@H+](C)C1CCCC1 ZINC000104928014 384740671 /nfs/dbraw/zinc/74/06/71/384740671.db2.gz NQAYHCWRGOSKSG-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP COCCNCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647547448 384741088 /nfs/dbraw/zinc/74/10/88/384741088.db2.gz WYHKKXCTJCLIRL-YNEHKIRRSA-N 2 0 241.379 0.200 20 0 BCADRP COC[C@]1(CN[C@H]2C[NH2+]C[C@@H](C)C2)CCC[NH2+]1 ZINC000647547524 384741170 /nfs/dbraw/zinc/74/11/70/384741170.db2.gz YGMSQIQZWPRTLH-YNEHKIRRSA-N 2 0 241.379 0.343 20 0 BCADRP COC[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])OC ZINC000300386514 384744426 /nfs/dbraw/zinc/74/44/26/384744426.db2.gz ZDLVHQVBAORZDT-SRVKXCTJSA-N 2 0 230.352 0.755 20 0 BCADRP CC(C)N1CC[C@H](N[C@@H]2C[NH2+]C[C@@H](C)C2)C1=O ZINC000647549796 384747438 /nfs/dbraw/zinc/74/74/38/384747438.db2.gz RABVJVMFTKLZOL-SRVKXCTJSA-N 2 0 239.363 0.583 20 0 BCADRP CCSCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000126248303 384747805 /nfs/dbraw/zinc/74/78/05/384747805.db2.gz YCYZRTSYPZYEHX-AOOOYVTPSA-N 2 0 200.351 0.891 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000648156234 384749765 /nfs/dbraw/zinc/74/97/65/384749765.db2.gz KRSBHHPZMUYQFU-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP C([NH2+][C@@H]1CC12CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC000647548065 384749951 /nfs/dbraw/zinc/74/99/51/384749951.db2.gz UKDMVJGVZADHFB-GFCCVEGCSA-N 3 0 223.364 0.718 20 0 BCADRP F[C@@H]1CN[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647548188 384750914 /nfs/dbraw/zinc/75/09/14/384750914.db2.gz YLYCUSIWFBNNIU-LBELIVKGSA-N 2 0 241.354 0.664 20 0 BCADRP C[C@@]([NH3+])(C(=O)N1CCC[NH2+]CC1)c1ccccc1 ZINC000052881592 384752840 /nfs/dbraw/zinc/75/28/40/384752840.db2.gz YIHJEZMXJXBMRH-AWEZNQCLSA-N 2 0 247.342 0.682 20 0 BCADRP C[C@H](CNC(=O)[C@@](C)([NH3+])c1ccccc1)[NH+](C)C ZINC000052882402 384752934 /nfs/dbraw/zinc/75/29/34/384752934.db2.gz TVYWURHOODISPO-RISCZKNCSA-N 2 0 249.358 0.927 20 0 BCADRP C[C@]([NH3+])(C(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000052881571 384753733 /nfs/dbraw/zinc/75/37/33/384753733.db2.gz LXXONHWKJMPFRD-CYBMUJFWSA-N 2 0 233.315 0.292 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)C[NH2+]C1CC1 ZINC000061645172 384754369 /nfs/dbraw/zinc/75/43/69/384754369.db2.gz ZHAGFUFXGPELBZ-LLVKDONJSA-N 2 0 225.336 0.291 20 0 BCADRP OC[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000647551756 384754799 /nfs/dbraw/zinc/75/47/99/384754799.db2.gz JHHGAUCHRZYXOI-CHWSQXEVSA-N 2 0 242.363 0.363 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)C[NH2+]C1CC1 ZINC000061645171 384755449 /nfs/dbraw/zinc/75/54/49/384755449.db2.gz ZHAGFUFXGPELBZ-NSHDSACASA-N 2 0 225.336 0.291 20 0 BCADRP CC1(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)C[NH2+]C1 ZINC000648186731 384757674 /nfs/dbraw/zinc/75/76/74/384757674.db2.gz BHRNAKZBADNYOS-SNVBAGLBSA-N 2 0 237.347 0.387 20 0 BCADRP C[C@H]1C[NH2+]C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000647552117 384758600 /nfs/dbraw/zinc/75/86/00/384758600.db2.gz GQTSKNQIJNBOEP-WRWGMCAJSA-N 2 0 211.353 0.844 20 0 BCADRP Fc1cccc(C[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000083365052 384766775 /nfs/dbraw/zinc/76/67/75/384766775.db2.gz CLEJOJAVNHPQEH-UHFFFAOYSA-N 2 0 237.322 0.821 20 0 BCADRP C[C@]1(F)CNCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000336212292 384768649 /nfs/dbraw/zinc/76/86/49/384768649.db2.gz KXXOBKCPDJSLGC-PWSUYJOCSA-N 2 0 243.326 0.289 20 0 BCADRP C[C@H](C[NH2+][C@H]1CCO[C@H]1C)C[NH+](C)C ZINC000308575051 384823356 /nfs/dbraw/zinc/82/33/56/384823356.db2.gz MCWOREXRKRJMNR-VWYCJHECSA-N 2 0 200.326 0.951 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000054342054 384833288 /nfs/dbraw/zinc/83/32/88/384833288.db2.gz XFJLBLFRNBUMGV-RYUDHWBXSA-N 2 0 239.363 0.668 20 0 BCADRP OCC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000108328030 384783518 /nfs/dbraw/zinc/78/35/18/384783518.db2.gz SMYAANDPSMHHOJ-LLVKDONJSA-N 2 0 212.337 0.690 20 0 BCADRP OCC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000108328027 384784978 /nfs/dbraw/zinc/78/49/78/384784978.db2.gz SMYAANDPSMHHOJ-NSHDSACASA-N 2 0 212.337 0.690 20 0 BCADRP COC(=O)CCCN1C[C@@H]([NH3+])C[C@H]1C ZINC000601330059 384790507 /nfs/dbraw/zinc/79/05/07/384790507.db2.gz PXAFBCYZEFPZAN-BDAKNGLRSA-N 2 0 200.282 0.361 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccnc(C[NH3+])c1 ZINC000648190257 384802507 /nfs/dbraw/zinc/80/25/07/384802507.db2.gz LFOXPTZLNANDSQ-BDAKNGLRSA-N 2 0 236.319 0.396 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccnc(C[NH3+])c1 ZINC000648190260 384802582 /nfs/dbraw/zinc/80/25/82/384802582.db2.gz LFOXPTZLNANDSQ-RKDXNWHRSA-N 2 0 236.319 0.396 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000648190268 384803305 /nfs/dbraw/zinc/80/33/05/384803305.db2.gz LLPLFGJQJHDHEF-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CCCC[NH3+] ZINC000648190270 384803853 /nfs/dbraw/zinc/80/38/53/384803853.db2.gz MADHTJRPTAVKIO-DTWKUNHWSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000648190355 384804155 /nfs/dbraw/zinc/80/41/55/384804155.db2.gz SZDPDOUGGCGAAP-DCAQKATOSA-N 2 0 227.352 0.761 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648191166 384805399 /nfs/dbraw/zinc/80/53/99/384805399.db2.gz YIJSAHUOSVIUBU-LNFKQOIKSA-N 2 0 227.352 0.569 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000516649249 384805966 /nfs/dbraw/zinc/80/59/66/384805966.db2.gz FUYIHEPGIXQSBW-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000086271855 384870313 /nfs/dbraw/zinc/87/03/13/384870313.db2.gz JYLYXHZQSDMBBJ-QWRGUYRKSA-N 2 0 227.352 0.441 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000643798696 384874942 /nfs/dbraw/zinc/87/49/42/384874942.db2.gz CZEIGKJQWPCFRM-NWDGAFQWSA-N 2 0 237.347 0.324 20 0 BCADRP CCOCC[NH2+][C@H]1CN(CC)C[C@H]1C ZINC000308620241 384876511 /nfs/dbraw/zinc/87/65/11/384876511.db2.gz SVTCZLZNIUIIIO-MNOVXSKESA-N 2 0 200.326 0.953 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCCC[NH3+] ZINC000557215102 384886003 /nfs/dbraw/zinc/88/60/03/384886003.db2.gz SDXRYAHBZCVJBZ-JTQLQIEISA-N 2 0 228.340 0.071 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648205933 384840533 /nfs/dbraw/zinc/84/05/33/384840533.db2.gz PATMRZPAYXYNPJ-IUCAKERBSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648205931 384840622 /nfs/dbraw/zinc/84/06/22/384840622.db2.gz PATMRZPAYXYNPJ-BDAKNGLRSA-N 2 0 211.309 0.125 20 0 BCADRP [NH3+]CCCC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648206183 384840910 /nfs/dbraw/zinc/84/09/10/384840910.db2.gz VHQDUBKNWXYKCJ-JTQLQIEISA-N 2 0 225.336 0.516 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000262652738 384842025 /nfs/dbraw/zinc/84/20/25/384842025.db2.gz BAIDJJLIILDQKN-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648210082 384849885 /nfs/dbraw/zinc/84/98/85/384849885.db2.gz JKJMGLZWHYDKPA-WDEREUQCSA-N 2 0 239.363 0.905 20 0 BCADRP O=C(C[NH2+]C1CC1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648210160 384854413 /nfs/dbraw/zinc/85/44/13/384854413.db2.gz LJLCOSUETMLRSD-NSHDSACASA-N 2 0 237.347 0.529 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@H]1CC[NH2+]1 ZINC000648210328 384855340 /nfs/dbraw/zinc/85/53/40/384855340.db2.gz PLFSWCDWOAMNHG-ZJUUUORDSA-N 2 0 223.320 0.139 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N(C)CCC[NH3+] ZINC000557231583 384891063 /nfs/dbraw/zinc/89/10/63/384891063.db2.gz PXKNQFHGWRDUQV-JTQLQIEISA-N 2 0 230.356 0.494 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]CCCN1CCOCC1 ZINC000310217778 384909127 /nfs/dbraw/zinc/90/91/27/384909127.db2.gz FLBKBXRCRAOHMP-CYBMUJFWSA-N 2 0 243.395 0.816 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000257362117 384923276 /nfs/dbraw/zinc/92/32/76/384923276.db2.gz AEXFFJPCAWSWDI-ZRUFSTJUSA-N 2 0 223.320 0.077 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000647605873 384931039 /nfs/dbraw/zinc/93/10/39/384931039.db2.gz DKCNRLYPMRCCOU-KKOKHZNYSA-N 2 0 237.347 0.195 20 0 BCADRP CSC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000127447778 384932631 /nfs/dbraw/zinc/93/26/31/384932631.db2.gz MUWNALJMKOMTBH-GHMZBOCLSA-N 2 0 232.393 0.784 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000647605874 384932971 /nfs/dbraw/zinc/93/29/71/384932971.db2.gz DKCNRLYPMRCCOU-QCNOEVLYSA-N 2 0 237.347 0.195 20 0 BCADRP CC1(OCC(=O)Nc2cccc(C[NH3+])c2)C[NH2+]C1 ZINC000647607564 384935667 /nfs/dbraw/zinc/93/56/67/384935667.db2.gz WXDYMCQGGWRLBD-UHFFFAOYSA-N 2 0 249.314 0.462 20 0 BCADRP COc1ccc([C@H](C[NH3+])CN2CC[NH2+]CC2)cc1 ZINC000258437264 384936335 /nfs/dbraw/zinc/93/63/35/384936335.db2.gz WUYOVNQINKOONH-CYBMUJFWSA-N 2 0 249.358 0.643 20 0 BCADRP Cc1ccccc1CNC[C@@H]1C[NH2+]CCN1C ZINC000258824699 384938650 /nfs/dbraw/zinc/93/86/50/384938650.db2.gz CPKCVFVKWNMCON-AWEZNQCLSA-N 2 0 233.359 0.988 20 0 BCADRP C[C@H](CS(C)(=O)=O)[NH2+]CCCC[NH+](C)C ZINC000081901009 384940845 /nfs/dbraw/zinc/94/08/45/384940845.db2.gz ZFPRDTIBZHZVIO-SNVBAGLBSA-N 2 0 236.381 0.351 20 0 BCADRP CC(C)CCC[NH2+]CCN1CC[NH2+]CC1 ZINC000258908846 384943485 /nfs/dbraw/zinc/94/34/85/384943485.db2.gz LVANARKVTZSEBX-UHFFFAOYSA-N 2 0 213.369 0.917 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000156742041 384944373 /nfs/dbraw/zinc/94/43/73/384944373.db2.gz IVOOXPXOLGONRH-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC(C[NH3+])CC1)[C@@H](C)[NH3+] ZINC000564947014 384965284 /nfs/dbraw/zinc/96/52/84/384965284.db2.gz HZDBEYDVQXZXSZ-PWSUYJOCSA-N 2 0 241.379 0.803 20 0 BCADRP CC(C)[C@@H](C(=O)N1CCC(C[NH3+])CC1)[C@H](C)[NH3+] ZINC000564947012 384967236 /nfs/dbraw/zinc/96/72/36/384967236.db2.gz HZDBEYDVQXZXSZ-CMPLNLGQSA-N 2 0 241.379 0.803 20 0 BCADRP CC[C@@H](O)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000644562557 384970476 /nfs/dbraw/zinc/97/04/76/384970476.db2.gz ZPULBAIOFBYVEJ-GFCCVEGCSA-N 2 0 243.395 0.373 20 0 BCADRP C[NH+](C)CCNc1cc[nH+]cc1C(N)=O ZINC000302207007 384970759 /nfs/dbraw/zinc/97/07/59/384970759.db2.gz DYPAPMNNMWZWTF-UHFFFAOYSA-N 2 0 208.265 0.154 20 0 BCADRP C[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000339194046 384973746 /nfs/dbraw/zinc/97/37/46/384973746.db2.gz QXWQPMHMAGQKTA-WSMDXJOWSA-N 2 0 212.337 0.924 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000036999056 384982950 /nfs/dbraw/zinc/98/29/50/384982950.db2.gz JKKAVOQOJQJRRI-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP CCCCNC(=O)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000310337597 384995600 /nfs/dbraw/zinc/99/56/00/384995600.db2.gz NENBILQDITWMAM-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)C[C@](C)(O)CNCc1ccns1 ZINC000404445379 385005492 /nfs/dbraw/zinc/00/54/92/385005492.db2.gz DRZBDAFHHNGAIQ-SNVBAGLBSA-N 2 0 229.349 0.545 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000226396537 385006462 /nfs/dbraw/zinc/00/64/62/385006462.db2.gz OMWRWJZMLODALI-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000226397559 385007369 /nfs/dbraw/zinc/00/73/69/385007369.db2.gz OSYZMYDNTGPFOO-ZDUSSCGKSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000226394896 385008659 /nfs/dbraw/zinc/00/86/59/385008659.db2.gz AUGYUSCLOPLOFF-ZYHUDNBSSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000226399626 385009267 /nfs/dbraw/zinc/00/92/67/385009267.db2.gz XOAAQPXVQOIIHW-ZJUUUORDSA-N 2 0 225.336 0.195 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000129779403 385011149 /nfs/dbraw/zinc/01/11/49/385011149.db2.gz LMCBDJDJOIDCDV-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP CC(C)[C@@H](CO)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086404886 385015000 /nfs/dbraw/zinc/01/50/00/385015000.db2.gz OUWOZHQYHNTFTC-HBNTYKKESA-N 2 0 200.326 0.863 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000367649554 385017266 /nfs/dbraw/zinc/01/72/66/385017266.db2.gz USXVPBNSZZIEQU-VVZSVHDDSA-N 2 0 239.363 0.603 20 0 BCADRP C[C@@H](O)C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000644632263 385047689 /nfs/dbraw/zinc/04/76/89/385047689.db2.gz INJYNGMZWMMDMD-VXGBXAGGSA-N 2 0 230.352 0.458 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CCC(C[NH3+])CC1 ZINC000647638445 385048111 /nfs/dbraw/zinc/04/81/11/385048111.db2.gz XHHADZQDPMKSMV-UHFFFAOYSA-N 2 0 227.352 0.701 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)[NH+](C)C ZINC000646917148 385059196 /nfs/dbraw/zinc/05/91/96/385059196.db2.gz YLYFLQNXPHPMIS-AXFHLTTASA-N 2 0 225.336 0.099 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000449723724 385059559 /nfs/dbraw/zinc/05/95/59/385059559.db2.gz LZPVEIJGMYGWSA-IUCAKERBSA-N 2 0 234.303 0.351 20 0 BCADRP Cn1cc(CC[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cn1 ZINC000404789183 385062729 /nfs/dbraw/zinc/06/27/29/385062729.db2.gz QQLKULBHRSIFSB-MNOVXSKESA-N 2 0 222.336 0.678 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CCC[NH2+]CC2)CCC[NH2+]1 ZINC000364161536 385084541 /nfs/dbraw/zinc/08/45/41/385084541.db2.gz OSZMUEYDTUDMJR-DGCLKSJQSA-N 2 0 239.363 0.777 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1C[NH2+]CCC1(F)F ZINC000647640672 385070961 /nfs/dbraw/zinc/07/09/61/385070961.db2.gz YBYITBLRIMAYRR-DTWKUNHWSA-N 2 0 247.289 0.099 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000646930740 385076588 /nfs/dbraw/zinc/07/65/88/385076588.db2.gz MPNUEIZVUMPPKE-NWDGAFQWSA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000308764104 385081857 /nfs/dbraw/zinc/08/18/57/385081857.db2.gz ZOOPTECBLOQZNN-SNVBAGLBSA-N 2 0 200.326 0.831 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ncc[nH]1 ZINC000150997976 385082398 /nfs/dbraw/zinc/08/23/98/385082398.db2.gz ZFOGUDWMFPWWNN-NSHDSACASA-N 2 0 240.351 0.856 20 0 BCADRP C[C@@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000644633657 385033988 /nfs/dbraw/zinc/03/39/88/385033988.db2.gz PZPNRGXXIYGYDH-SNVBAGLBSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000646956071 385085300 /nfs/dbraw/zinc/08/53/00/385085300.db2.gz STRQBHCYPNCXAA-QJPTWQEYSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227410627 385141387 /nfs/dbraw/zinc/14/13/87/385141387.db2.gz OWWCSQBRLBTKBL-DCAQKATOSA-N 2 0 225.336 0.419 20 0 BCADRP [NH3+][C@H](C(=O)N[C@H]1CCC[NH2+]CC1)C1CCC1 ZINC000646985256 385111768 /nfs/dbraw/zinc/11/17/68/385111768.db2.gz VIDZKSLIMPXVOL-QWRGUYRKSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC[C@H]1[NH3+] ZINC000647015036 385141528 /nfs/dbraw/zinc/14/15/28/385141528.db2.gz FWPNTEZBARMFRR-MXWKQRLJSA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000643801270 385112706 /nfs/dbraw/zinc/11/27/06/385112706.db2.gz VNOSQRWPUJYOIN-YNEHKIRRSA-N 2 0 245.326 0.507 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000643801269 385114617 /nfs/dbraw/zinc/11/46/17/385114617.db2.gz VNOSQRWPUJYOIN-XQQFMLRXSA-N 2 0 245.326 0.507 20 0 BCADRP CC1(C)[C@H]([NH2+]CCOCC(F)F)C[C@@H]1[NH3+] ZINC000404882358 385141765 /nfs/dbraw/zinc/14/17/65/385141765.db2.gz GQSAQRUUAHUNIP-JGVFFNPUSA-N 2 0 222.279 0.984 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646988416 385120547 /nfs/dbraw/zinc/12/05/47/385120547.db2.gz PBPHBWOQKLNEDF-UWVGGRQHSA-N 2 0 225.336 0.243 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC000646991670 385125735 /nfs/dbraw/zinc/12/57/35/385125735.db2.gz JSGYIHAAXXDNEK-VIFPVBQESA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000646998030 385128652 /nfs/dbraw/zinc/12/86/52/385128652.db2.gz DHKZVYNBNZOBGI-UWVGGRQHSA-N 2 0 225.336 0.644 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000646998225 385130435 /nfs/dbraw/zinc/13/04/35/385130435.db2.gz XDEOIXQATKPDOD-BWZBUEFSSA-N 2 0 235.278 0.355 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000646998185 385131360 /nfs/dbraw/zinc/13/13/60/385131360.db2.gz UIMYXVDWPUCYOF-IVZWLZJFSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000157266284 385132011 /nfs/dbraw/zinc/13/20/11/385132011.db2.gz OKLPOLJOSDOFNG-SDDRHHMPSA-N 2 0 239.363 0.727 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)C[NH2+]C ZINC000246240311 385134383 /nfs/dbraw/zinc/13/43/83/385134383.db2.gz IRUVMRXNIVMREM-GHMZBOCLSA-N 2 0 229.368 0.688 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000246235988 385134570 /nfs/dbraw/zinc/13/45/70/385134570.db2.gz FVJIBGZWBFIWMQ-KKOKHZNYSA-N 2 0 237.347 0.467 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000647001839 385136904 /nfs/dbraw/zinc/13/69/04/385136904.db2.gz AVBJOUZARDYZMP-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000647001775 385137330 /nfs/dbraw/zinc/13/73/30/385137330.db2.gz YEJXWUPCUIOXNE-GRYCIOLGSA-N 2 0 239.363 0.490 20 0 BCADRP COCCOCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000404887990 385138078 /nfs/dbraw/zinc/13/80/78/385138078.db2.gz JRULVOSNHZZWDG-UWVGGRQHSA-N 2 0 216.325 0.365 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000157285244 385138371 /nfs/dbraw/zinc/13/83/71/385138371.db2.gz RVQLJQHGIVMJKA-JTQLQIEISA-N 2 0 213.325 0.276 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000647015976 385139487 /nfs/dbraw/zinc/13/94/87/385139487.db2.gz ISTFQGUNSMAYSV-GUBZILKMSA-N 2 0 225.336 0.241 20 0 BCADRP CC[C@H]1CN(C(=O)C[NH2+]CC2CC2)CC[C@@H]1[NH3+] ZINC000647015688 385139853 /nfs/dbraw/zinc/13/98/53/385139853.db2.gz XMPZMKYNNXHHTI-RYUDHWBXSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H]1CN(C(=O)CC[NH2+]C(C)C)CC[C@@H]1[NH3+] ZINC000647015646 385140030 /nfs/dbraw/zinc/14/00/30/385140030.db2.gz WQXAWSYHIJBFKV-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H]1CN(C(=O)CC(C)(C)[NH3+])CC[C@H]1[NH3+] ZINC000647015095 385140177 /nfs/dbraw/zinc/14/01/77/385140177.db2.gz HRXSEAQAJCQSJS-VHSXEESVSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000646965983 385090742 /nfs/dbraw/zinc/09/07/42/385090742.db2.gz ONIPMKBYEQDLKW-GMXVVIOVSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000646965982 385091833 /nfs/dbraw/zinc/09/18/33/385091833.db2.gz ONIPMKBYEQDLKW-DMDPSCGWSA-N 2 0 239.363 0.490 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H](C)C[NH2+]C)CC[C@@H]1[NH3+] ZINC000647015370 385141333 /nfs/dbraw/zinc/14/13/33/385141333.db2.gz OPHVTAHOXHLRNZ-MXWKQRLJSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000647051239 385188091 /nfs/dbraw/zinc/18/80/91/385188091.db2.gz BPFWAFWNROVCMZ-VWYCJHECSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH+]1CCC(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000564956890 385191153 /nfs/dbraw/zinc/19/11/53/385191153.db2.gz XOZRFBMMXAYXRR-NEPJUHHUSA-N 2 0 237.347 0.149 20 0 BCADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)CC[N@@H+]1C ZINC000559872471 385202040 /nfs/dbraw/zinc/20/20/40/385202040.db2.gz YWIUPJCGHNAPEE-LOWDOPEQSA-N 2 0 242.363 0.599 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@H]2CC23CC[NH2+]CC3)o1 ZINC000647055151 385195360 /nfs/dbraw/zinc/19/53/60/385195360.db2.gz NETLKAJKQOTJER-NSHDSACASA-N 2 0 249.314 0.610 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647055426 385195370 /nfs/dbraw/zinc/19/53/70/385195370.db2.gz YWZCZXKBPKJOEO-HBNTYKKESA-N 2 0 237.347 0.243 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)o1 ZINC000647057983 385195528 /nfs/dbraw/zinc/19/55/28/385195528.db2.gz GKLWHUIJFHYCBZ-YUMQZZPRSA-N 2 0 241.266 0.168 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[NH3+])CC1 ZINC000647020602 385148763 /nfs/dbraw/zinc/14/87/63/385148763.db2.gz GEOONFDGFRWJCU-JTQLQIEISA-N 2 0 227.352 0.570 20 0 BCADRP C[NH+](C)CC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000647643589 385154174 /nfs/dbraw/zinc/15/41/74/385154174.db2.gz JNBKEKZMTYHKEG-UHFFFAOYSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000647023223 385155900 /nfs/dbraw/zinc/15/59/00/385155900.db2.gz SVFYOBSCTHZREP-MWLCHTKSSA-N 2 0 221.304 0.192 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000647643854 385158884 /nfs/dbraw/zinc/15/88/84/385158884.db2.gz XMEKMSVASWWODU-JTQLQIEISA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000647030296 385162898 /nfs/dbraw/zinc/16/28/98/385162898.db2.gz MXARHJKXXFKQSY-PWSUYJOCSA-N 2 0 225.336 0.326 20 0 BCADRP c1c([C@@H]2CCC[NH2+]C2)nnn1CC[NH+]1CCCC1 ZINC000404916177 385173738 /nfs/dbraw/zinc/17/37/38/385173738.db2.gz GUESSQNBWHXYHM-GFCCVEGCSA-N 2 0 249.362 0.841 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1CCn1cccn1 ZINC000044387965 385206158 /nfs/dbraw/zinc/20/61/58/385206158.db2.gz UNMOJTXIUXRYQA-NSHDSACASA-N 2 0 208.309 0.696 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN([C@@H]2CCNC2=O)C1 ZINC000178207955 385206577 /nfs/dbraw/zinc/20/65/77/385206577.db2.gz WEZSSIYXXZJOEJ-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H]([NH3+])CCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000364170888 385209123 /nfs/dbraw/zinc/20/91/23/385209123.db2.gz NETKYXNIOVYIKO-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000333138456 385210021 /nfs/dbraw/zinc/21/00/21/385210021.db2.gz CRHFCXFVPZVQMZ-NXEZZACHSA-N 2 0 240.351 0.130 20 0 BCADRP CCCCNC(=O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359317093 385211737 /nfs/dbraw/zinc/21/17/37/385211737.db2.gz GPMUXKVDUVRRDM-TXEJJXNPSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)[C@H](C)[NH3+] ZINC000647068260 385213333 /nfs/dbraw/zinc/21/33/33/385213333.db2.gz AEVCVTQSBFHHNA-IVZWLZJFSA-N 2 0 213.325 0.323 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000647069498 385214570 /nfs/dbraw/zinc/21/45/70/385214570.db2.gz SGDNOJGHPGZEOY-UWVGGRQHSA-N 2 0 213.325 0.372 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000157573205 385215390 /nfs/dbraw/zinc/21/53/90/385215390.db2.gz OLHAURJSIMLMOQ-GFCCVEGCSA-N 2 0 239.363 0.811 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]1)C(F)F ZINC000647071039 385218624 /nfs/dbraw/zinc/21/86/24/385218624.db2.gz NOMGGGQQERKNMP-DTWKUNHWSA-N 2 0 249.305 0.617 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000364176804 385219217 /nfs/dbraw/zinc/21/92/17/385219217.db2.gz PKQNPQVSTRPFNS-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000647073634 385231429 /nfs/dbraw/zinc/23/14/29/385231429.db2.gz ITAOFGDVZSOPQA-AXFHLTTASA-N 2 0 239.363 0.761 20 0 BCADRP CC(C)([NH3+])CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000647077240 385232044 /nfs/dbraw/zinc/23/20/44/385232044.db2.gz BDZLYAIAOUXNQV-SNVBAGLBSA-N 2 0 227.352 0.762 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)NCCC[C@@H]1CCC[NH2+]1 ZINC000647077235 385232616 /nfs/dbraw/zinc/23/26/16/385232616.db2.gz AYPOSRUTORTERS-NEPJUHHUSA-N 2 0 239.363 0.634 20 0 BCADRP CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000647076305 385234127 /nfs/dbraw/zinc/23/41/27/385234127.db2.gz PRQPEGAASAVEAB-LLVKDONJSA-N 2 0 219.288 0.966 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000647076285 385234596 /nfs/dbraw/zinc/23/45/96/385234596.db2.gz HQMDMCNIDYUHFX-MRVPVSSYSA-N 2 0 235.278 0.099 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)CC1([NH3+])CCC1 ZINC000647081167 385240502 /nfs/dbraw/zinc/24/05/02/385240502.db2.gz MSNNUHLBPYQDKX-SNVBAGLBSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)C1([NH3+])CCCCC1 ZINC000309367142 385243279 /nfs/dbraw/zinc/24/32/79/385243279.db2.gz BKUWWTVGBUFHOR-VIFPVBQESA-N 2 0 213.325 0.502 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000647082972 385244404 /nfs/dbraw/zinc/24/44/04/385244404.db2.gz XNUJWQMSUVPFIO-IVZWLZJFSA-N 2 0 225.336 0.228 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000647082974 385244428 /nfs/dbraw/zinc/24/44/28/385244428.db2.gz XNUJWQMSUVPFIO-LPEHRKFASA-N 2 0 225.336 0.228 20 0 BCADRP CCN1CCC([NH2+][C@H](CO)[C@H]2CCCO2)CC1 ZINC000448267733 385245138 /nfs/dbraw/zinc/24/51/38/385245138.db2.gz OENHFWZLJDOVRF-CHWSQXEVSA-N 2 0 242.363 0.600 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000647083721 385246014 /nfs/dbraw/zinc/24/60/14/385246014.db2.gz DAXVVYZPEAWHLK-LURJTMIESA-N 2 0 241.257 0.510 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000647084069 385247023 /nfs/dbraw/zinc/24/70/23/385247023.db2.gz BOTKMXSKKHFODA-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP CN(C(=O)CC(C)(C)[NH3+])[C@@H](C[NH3+])C1CC1 ZINC000647085507 385248671 /nfs/dbraw/zinc/24/86/71/385248671.db2.gz IBKVPTBBMUDTEY-VIFPVBQESA-N 2 0 213.325 0.310 20 0 BCADRP CN(C(=O)c1ccc(C[NH3+])o1)[C@H](C[NH3+])C1CC1 ZINC000647085475 385249019 /nfs/dbraw/zinc/24/90/19/385249019.db2.gz CQUMGELMSYOXPQ-SNVBAGLBSA-N 2 0 237.303 0.548 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000559873088 385202747 /nfs/dbraw/zinc/20/27/47/385202747.db2.gz ZIRJAKPKAYOLEH-QNWHQSFQSA-N 2 0 242.363 0.456 20 0 BCADRP CC(C)[C@@H](C(=O)NCC[NH+](C)C)[NH+](C)C ZINC000130514023 385255885 /nfs/dbraw/zinc/25/58/85/385255885.db2.gz YWLBPXBDIMAFHZ-JTQLQIEISA-N 2 0 215.341 0.250 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178589316 385304049 /nfs/dbraw/zinc/30/40/49/385304049.db2.gz YYXZIYHYZXFPNO-ZJUUUORDSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@H](C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000636100450 385308620 /nfs/dbraw/zinc/30/86/20/385308620.db2.gz HBJZJKISZAWBNC-UTUOFQBUSA-N 2 0 239.363 0.680 20 0 BCADRP Cc1n[nH]cc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647493251 385310591 /nfs/dbraw/zinc/31/05/91/385310591.db2.gz XHZKECRQDYHGDV-UHFFFAOYSA-N 2 0 237.351 0.055 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000157926073 385313446 /nfs/dbraw/zinc/31/34/46/385313446.db2.gz NBTGIKMMBQHYPW-GHMZBOCLSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H]1CCCO1 ZINC000037889905 385320620 /nfs/dbraw/zinc/32/06/20/385320620.db2.gz QEIONKNNNOSPAC-RWMBFGLXSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CC12C[NH2+]C2 ZINC000364219606 385263662 /nfs/dbraw/zinc/26/36/62/385263662.db2.gz KEQGCPQYFNSWJN-AXFHLTTASA-N 2 0 237.347 0.324 20 0 BCADRP Cn1cc(C[NH2+]CCCC[NH+](C)C)cn1 ZINC000045663833 385274216 /nfs/dbraw/zinc/27/42/16/385274216.db2.gz VNOQFQRZKJMYTF-UHFFFAOYSA-N 2 0 210.325 0.852 20 0 BCADRP Cn1ccnc1C[NH2+]CCCC[NH+](C)C ZINC000045698395 385278847 /nfs/dbraw/zinc/27/88/47/385278847.db2.gz FSDOQBPFUVTKQV-UHFFFAOYSA-N 2 0 210.325 0.852 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000247102318 385290906 /nfs/dbraw/zinc/29/09/06/385290906.db2.gz YJUGMYDVEXJGED-QCNOEVLYSA-N 2 0 239.363 0.761 20 0 BCADRP C[NH2+][C@H](C)Cc1noc(CCC(C)(C)[NH3+])n1 ZINC000647142023 385291944 /nfs/dbraw/zinc/29/19/44/385291944.db2.gz LXYZSSIKQDMZOH-MRVPVSSYSA-N 2 0 226.324 0.890 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000648152368 385292684 /nfs/dbraw/zinc/29/26/84/385292684.db2.gz SZVSNPMAAPITJO-WDEREUQCSA-N 2 0 239.363 0.537 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000364261310 385301603 /nfs/dbraw/zinc/30/16/03/385301603.db2.gz VYLQWTQAKJVVMF-NSHDSACASA-N 2 0 231.315 0.146 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)CC[C@H](C)[NH3+] ZINC000193170934 385333757 /nfs/dbraw/zinc/33/37/57/385333757.db2.gz UKSZZXSMQZMGKF-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC(CC[NH3+])CC1 ZINC000517035479 385337589 /nfs/dbraw/zinc/33/75/89/385337589.db2.gz KDJLUSAWDHMEDY-UWVGGRQHSA-N 2 0 242.367 0.493 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000178866984 385339685 /nfs/dbraw/zinc/33/96/85/385339685.db2.gz AEDKBIUBNWOWIL-YIZRAAEISA-N 2 0 211.309 0.075 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCc1cn[nH]c1 ZINC000309009023 385358718 /nfs/dbraw/zinc/35/87/18/385358718.db2.gz OHJNQYHJDQDRHQ-GXSJLCMTSA-N 2 0 208.309 0.621 20 0 BCADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C[NH3+] ZINC000076624080 385361470 /nfs/dbraw/zinc/36/14/70/385361470.db2.gz MMBLYCSHANGCCD-UHFFFAOYSA-N 2 0 241.379 0.916 20 0 BCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000178404074 385366631 /nfs/dbraw/zinc/36/66/31/385366631.db2.gz QTGJJULPJBMTDG-CHWSQXEVSA-N 2 0 247.342 0.425 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000178405354 385367414 /nfs/dbraw/zinc/36/74/14/385367414.db2.gz PZSOWNOOFPTANV-CHWSQXEVSA-N 2 0 247.342 0.364 20 0 BCADRP CC[N@H+](C)CCN[C@@H]1C[NH+](CC)C[C@@H]1C ZINC000309048929 385382663 /nfs/dbraw/zinc/38/26/63/385382663.db2.gz PTJMEOKJEVVHGU-NWDGAFQWSA-N 2 0 213.369 0.868 20 0 BCADRP CC[C@H](O)C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000309041741 385386786 /nfs/dbraw/zinc/38/67/86/385386786.db2.gz LPYPRLRBRDIPQP-DLOVCJGASA-N 2 0 212.337 0.830 20 0 BCADRP C[C@@H]([NH3+])CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000180896594 385397097 /nfs/dbraw/zinc/39/70/97/385397097.db2.gz ZFVBTQZANSDKTI-KOLCDFICSA-N 2 0 213.325 0.372 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000644081804 385426818 /nfs/dbraw/zinc/42/68/18/385426818.db2.gz BQKSOBIFXHOOKG-NXEZZACHSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[NH+](C)C ZINC000155666671 385404127 /nfs/dbraw/zinc/40/41/27/385404127.db2.gz BCFKYPWYVIENES-DGCLKSJQSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000644088866 385439687 /nfs/dbraw/zinc/43/96/87/385439687.db2.gz BQMKFIBRADEMEX-NXEZZACHSA-N 2 0 227.352 0.474 20 0 BCADRP [NH3+]C[C@@H](C(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000179104177 385441054 /nfs/dbraw/zinc/44/10/54/385441054.db2.gz AFDSNTHGKAXDGQ-QWHCGFSZSA-N 2 0 247.342 0.597 20 0 BCADRP [NH3+]Cc1cc(C(=O)NC[C@@H]2CCCC[NH2+]2)ccn1 ZINC000644080548 385427198 /nfs/dbraw/zinc/42/71/98/385427198.db2.gz SFNUBYSDSFLRAK-NSHDSACASA-N 2 0 248.330 0.412 20 0 BCADRP [NH3+]CC1(CC(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000644081146 385427358 /nfs/dbraw/zinc/42/73/58/385427358.db2.gz OVDMZRGYPFQWFJ-JTQLQIEISA-N 2 0 225.336 0.374 20 0 BCADRP C[C@@H](NC(=O)CC1(C[NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC000644082430 385429632 /nfs/dbraw/zinc/42/96/32/385429632.db2.gz TUXMWXNKJGGBBW-GHMZBOCLSA-N 2 0 239.363 0.620 20 0 BCADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)NC1CC1 ZINC000336127236 385457265 /nfs/dbraw/zinc/45/72/65/385457265.db2.gz SCCXASXOGUPJSV-UHFFFAOYSA-N 2 0 237.347 0.341 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1C[NH2+]CCC1(F)F ZINC000644083136 385432326 /nfs/dbraw/zinc/43/23/26/385432326.db2.gz VFPNGFWYFDQCSK-DTWKUNHWSA-N 2 0 247.289 0.099 20 0 BCADRP O=C(NCC[NH2+]C1CC1)[C@@H]1C[NH2+]CCC1(F)F ZINC000644084228 385433506 /nfs/dbraw/zinc/43/35/06/385433506.db2.gz NVDPSNWTJGTKBW-VIFPVBQESA-N 2 0 247.289 0.099 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)C1CC1 ZINC000364573332 385480619 /nfs/dbraw/zinc/48/06/19/385480619.db2.gz BFSSMAPPGYAELG-RAIGVLPGSA-N 2 0 237.347 0.230 20 0 BCADRP CC[C@@]1([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)CCOC1 ZINC000378736173 385480772 /nfs/dbraw/zinc/48/07/72/385480772.db2.gz GGVYBIXAQMQDTM-CHWSQXEVSA-N 2 0 244.379 0.846 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000257675139 385485749 /nfs/dbraw/zinc/48/57/49/385485749.db2.gz HKVQMEPZRSGTNU-NWDGAFQWSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@]([NH3+])(C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000195231627 385463849 /nfs/dbraw/zinc/46/38/49/385463849.db2.gz ZQSGSVRGNXYIIF-WCQYABFASA-N 2 0 233.315 0.339 20 0 BCADRP C[C@@]([NH3+])(C(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000195231496 385464058 /nfs/dbraw/zinc/46/40/58/385464058.db2.gz UXZKJTYOQFCKGS-OCCSQVGLSA-N 2 0 247.342 0.729 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000011754715 385491134 /nfs/dbraw/zinc/49/11/34/385491134.db2.gz CXHGVOUMCNVUHY-LBPRGKRZSA-N 2 0 235.331 0.754 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000644115467 385493715 /nfs/dbraw/zinc/49/37/15/385493715.db2.gz WKUGXGZOWYKBQF-OPRDCNLKSA-N 2 0 225.336 0.099 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062860053 134451250 /nfs/dbraw/zinc/45/12/50/134451250.db2.gz ZYXAOJGAXPUAHJ-YPMHNXCESA-N 2 0 241.379 0.833 20 0 BCADRP O=C(N1CC[C@]2(C1)CCC[NH2+]C2)[C@]12C[C@H]1CC[NH2+]2 ZINC000644128378 385505501 /nfs/dbraw/zinc/50/55/01/385505501.db2.gz FLPPWXOGCIZYBO-BNOWGMLFSA-N 2 0 249.358 0.341 20 0 BCADRP C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CCOCC[NH3+] ZINC000302268413 385507347 /nfs/dbraw/zinc/50/73/47/385507347.db2.gz ABQCLXRQNRSLHK-JTQLQIEISA-N 2 0 245.367 0.197 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000644131446 385512323 /nfs/dbraw/zinc/51/23/23/385512323.db2.gz FBTNMXCYUFAORF-NXEZZACHSA-N 2 0 239.363 0.489 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000644131449 385512551 /nfs/dbraw/zinc/51/25/51/385512551.db2.gz FBTNMXCYUFAORF-ZJUUUORDSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H](C)[NH2+]C1CC1 ZINC000449072879 385513173 /nfs/dbraw/zinc/51/31/73/385513173.db2.gz HBCGMZBKSHIPPM-JFGNBEQYSA-N 2 0 239.363 0.855 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+]C1CC1 ZINC000449072880 385513748 /nfs/dbraw/zinc/51/37/48/385513748.db2.gz HBCGMZBKSHIPPM-NHCYSSNCSA-N 2 0 239.363 0.855 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000644144635 385536301 /nfs/dbraw/zinc/53/63/01/385536301.db2.gz IPAIAVWZTKAUPL-UWVGGRQHSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@@]1(C(=O)N[C@H]2CC23CC[NH2+]CC3)CCC[NH2+]1 ZINC000644145636 385536477 /nfs/dbraw/zinc/53/64/77/385536477.db2.gz MTACGFFFGCCZDZ-JQWIXIFHSA-N 2 0 237.347 0.387 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000644149204 385544461 /nfs/dbraw/zinc/54/44/61/385544461.db2.gz KMIKGAXCBLXZEF-AXFHLTTASA-N 2 0 237.347 0.195 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]C[C@@H]2CCSC2)CC1 ZINC000309416681 385575044 /nfs/dbraw/zinc/57/50/44/385575044.db2.gz CTSSHKSZYBQESE-NSHDSACASA-N 2 0 244.404 0.786 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)c1c[nH+]ccc1N ZINC000309395563 385561869 /nfs/dbraw/zinc/56/18/69/385561869.db2.gz GNURBCOQFSQVSU-ZETCQYMHSA-N 2 0 208.265 0.131 20 0 BCADRP C[C@H](CO)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000647908976 385603758 /nfs/dbraw/zinc/60/37/58/385603758.db2.gz CHQHQPZJMWYZQD-SNVBAGLBSA-N 2 0 230.352 0.192 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000309451056 385585471 /nfs/dbraw/zinc/58/54/71/385585471.db2.gz MQHJZGMYNYXLLS-SECBINFHSA-N 2 0 215.341 0.413 20 0 BCADRP FC1(F)CNCC[C@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000334615531 385589853 /nfs/dbraw/zinc/58/98/53/385589853.db2.gz KHLKOOGNCZCFLW-VIFPVBQESA-N 2 0 233.306 0.573 20 0 BCADRP CC[NH+]1CCC(NC[C@@H](C)C[NH2+]C)CC1 ZINC000414850096 385630210 /nfs/dbraw/zinc/63/02/10/385630210.db2.gz YROXCPOIJDKQQW-NSHDSACASA-N 2 0 213.369 0.916 20 0 BCADRP C[C@@]([NH3+])(C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000195231480 385630768 /nfs/dbraw/zinc/63/07/68/385630768.db2.gz IMEFXTOGVMQBKH-YPMHNXCESA-N 2 0 233.315 0.420 20 0 BCADRP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000644820552 385608166 /nfs/dbraw/zinc/60/81/66/385608166.db2.gz XPIXCAWIOGATKP-QJPTWQEYSA-N 2 0 237.347 0.243 20 0 BCADRP CC[N@H+](C)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054293019 385612086 /nfs/dbraw/zinc/61/20/86/385612086.db2.gz MBMVZPRGMOBATL-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NCC[C@@H]1CCC[NH2+]1 ZINC000309509972 385644706 /nfs/dbraw/zinc/64/47/06/385644706.db2.gz XACXLMJKTUDZLD-UWVGGRQHSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H](NC(=O)C(C)(C)[NH3+])[C@H]1CCC[NH2+]C1 ZINC000309512120 385647296 /nfs/dbraw/zinc/64/72/96/385647296.db2.gz XPYZBZPQRJRABX-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000647723978 385655149 /nfs/dbraw/zinc/65/51/49/385655149.db2.gz BPDYTGCOIPKNNT-ZRUFSTJUSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000647723976 385655186 /nfs/dbraw/zinc/65/51/86/385655186.db2.gz BPDYTGCOIPKNNT-XWLWVQCSSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000647724544 385656711 /nfs/dbraw/zinc/65/67/11/385656711.db2.gz ROPDXXPOCKJGJC-OOCWMUITSA-N 2 0 237.347 0.241 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)NCC[NH+]1CCCC1 ZINC000336684462 385671842 /nfs/dbraw/zinc/67/18/42/385671842.db2.gz ZMAHAAJEGDSQCB-MRVPVSSYSA-N 2 0 235.278 0.181 20 0 BCADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000647792275 385675295 /nfs/dbraw/zinc/67/52/95/385675295.db2.gz YBVHVSKWWJOHLB-OUAUKWLOSA-N 2 0 225.336 0.147 20 0 BCADRP C(CN1CCC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000309536538 385675979 /nfs/dbraw/zinc/67/59/79/385675979.db2.gz FLMIOWCQQKAOGD-OLZOCXBDSA-N 2 0 223.364 0.909 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]Cc2cncs2)CC1 ZINC000309544311 385679658 /nfs/dbraw/zinc/67/96/58/385679658.db2.gz GNRSFCIFXIZEPM-UHFFFAOYSA-N 2 0 241.360 0.689 20 0 BCADRP C[C@H](CNC1CC[NH+](C)CC1)C[NH+](C)C ZINC000336685215 385683963 /nfs/dbraw/zinc/68/39/63/385683963.db2.gz KPGUCINXASEHKU-LLVKDONJSA-N 2 0 213.369 0.868 20 0 BCADRP C[NH2+]C[C@H](C)CN[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000414851775 385667758 /nfs/dbraw/zinc/66/77/58/385667758.db2.gz PQVPHMXUQRAQMT-QJPTWQEYSA-N 2 0 213.369 0.962 20 0 BCADRP CN1CCC([NH2+]CC2(CO)CCC2)CC1 ZINC000184522758 385671049 /nfs/dbraw/zinc/67/10/49/385671049.db2.gz YUZGRLXTJGEYPP-UHFFFAOYSA-N 2 0 212.337 0.833 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061645204 385742040 /nfs/dbraw/zinc/74/20/40/385742040.db2.gz XEQMVDPINSLPSQ-VHSXEESVSA-N 2 0 213.325 0.147 20 0 BCADRP C[NH+]1CCC(C(=O)NC(C)(C)CCC[NH3+])CC1 ZINC000340133040 385743444 /nfs/dbraw/zinc/74/34/44/385743444.db2.gz DEIOLEBCUUINPB-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP C[N@H+](CCNC(=O)C[NH3+])Cc1ccccc1 ZINC000263282065 385747652 /nfs/dbraw/zinc/74/76/52/385747652.db2.gz SFBQIIBJCSVEGO-UHFFFAOYSA-N 2 0 221.304 0.193 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000647761794 385759997 /nfs/dbraw/zinc/75/99/97/385759997.db2.gz VRWAPWMTDIAQLQ-MXWKQRLJSA-N 2 0 225.336 0.241 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000186812031 385799196 /nfs/dbraw/zinc/79/91/96/385799196.db2.gz NPRVIAIRUDJRLB-KXUCPTDWSA-N 2 0 227.352 0.474 20 0 BCADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1C[NH2+]C1 ZINC000647799294 385799472 /nfs/dbraw/zinc/79/94/72/385799472.db2.gz CYGOZOHEAYZHMG-GRYCIOLGSA-N 2 0 209.337 0.184 20 0 BCADRP C1=C(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC000647799655 385800398 /nfs/dbraw/zinc/80/03/98/385800398.db2.gz NSXRYYIWQIXDFU-HZSPNIEDSA-N 3 0 235.375 0.884 20 0 BCADRP C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NC1CC1 ZINC000647799461 385800413 /nfs/dbraw/zinc/80/04/13/385800413.db2.gz HKZZVGDUEFPEEK-NTZNESFSSA-N 2 0 223.364 0.716 20 0 BCADRP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647799280 385800929 /nfs/dbraw/zinc/80/09/29/385800929.db2.gz CFLOWEOWCUYTQV-ROHXPCBUSA-N 2 0 210.321 0.487 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000186840162 385801210 /nfs/dbraw/zinc/80/12/10/385801210.db2.gz HHSHRVJCKDJRMF-OUAUKWLOSA-N 2 0 225.336 0.243 20 0 BCADRP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647800079 385801894 /nfs/dbraw/zinc/80/18/94/385801894.db2.gz ZJRKDMAODROWND-ZOLYEBIHSA-N 2 0 224.348 0.878 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]CCCc1ncn(C)n1 ZINC000647801542 385811942 /nfs/dbraw/zinc/81/19/42/385811942.db2.gz XSSLOMAZWYKWBU-LLVKDONJSA-N 2 0 239.367 0.855 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647807100 385857435 /nfs/dbraw/zinc/85/74/35/385857435.db2.gz CQGUFLVEBTTZKY-SKDRFNHKSA-N 2 0 225.336 0.230 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000261615312 385825855 /nfs/dbraw/zinc/82/58/55/385825855.db2.gz AQBNACFAHFWVOL-ZYHUDNBSSA-N 2 0 235.331 0.801 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000261641854 385827506 /nfs/dbraw/zinc/82/75/06/385827506.db2.gz DSYXWGJIFXNVBJ-NEPJUHHUSA-N 2 0 233.315 0.555 20 0 BCADRP COC[C@]1(CN[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000414951054 385828021 /nfs/dbraw/zinc/82/80/21/385828021.db2.gz GIADPQUZIODAOK-VXGBXAGGSA-N 2 0 227.352 0.097 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000261747399 385828630 /nfs/dbraw/zinc/82/86/30/385828630.db2.gz NCTPTHIOZFNUFE-GXFFZTMASA-N 2 0 235.331 0.585 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@](C)(C[NH3+])C2CC2)CC[N@@H+]1C ZINC000647807265 385858617 /nfs/dbraw/zinc/85/86/17/385858617.db2.gz ZWCZVYDYHVRCOX-XWIASGKRSA-N 2 0 239.363 0.570 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000638114144 385848728 /nfs/dbraw/zinc/84/87/28/385848728.db2.gz HLDBLCCNLJHGQV-AXFHLTTASA-N 2 0 227.352 0.583 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)c1ccc(C[NH3+])o1)C1CC1 ZINC000647807022 385853784 /nfs/dbraw/zinc/85/37/84/385853784.db2.gz YWRBQYHRXPUNFA-LBPRGKRZSA-N 2 0 237.303 0.596 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000262518522 385854246 /nfs/dbraw/zinc/85/42/46/385854246.db2.gz HMWADAHRFQJFED-NHCYSSNCSA-N 2 0 235.331 0.786 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H](C[NH3+])C2CC2)CC[N@@H+]1C ZINC000647834341 385885654 /nfs/dbraw/zinc/88/56/54/385885654.db2.gz CHGXTINLMGGNFO-FBIMIBRVSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@@H+]1C ZINC000647834342 385885719 /nfs/dbraw/zinc/88/57/19/385885719.db2.gz CHGXTINLMGGNFO-IEBDPFPHSA-N 2 0 225.336 0.180 20 0 BCADRP C[N@H+](CCc1cn[nH]c1)C1CC[NH2+]CC1 ZINC000308984104 385928616 /nfs/dbraw/zinc/92/86/16/385928616.db2.gz GAEQBPGAOXOVRJ-UHFFFAOYSA-N 2 0 208.309 0.636 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)c2ccc(C[NH3+])cc2)[C@H]1C ZINC000262827704 385892141 /nfs/dbraw/zinc/89/21/41/385892141.db2.gz UJJTXRYHJQRMBA-QWRGUYRKSA-N 2 0 247.342 0.968 20 0 BCADRP CCC[C@H](C)C[NH2+]CCN1CC[NH2+]CC1 ZINC000083347606 385895791 /nfs/dbraw/zinc/89/57/91/385895791.db2.gz JJVTWZVUUAUTOB-LBPRGKRZSA-N 2 0 213.369 0.917 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647848206 385898110 /nfs/dbraw/zinc/89/81/10/385898110.db2.gz KZQKWNQIENSWOS-MYJAWHEDSA-N 2 0 225.336 0.086 20 0 BCADRP Cc1cccc(CNC(=O)CN(C)CCC[NH3+])c1 ZINC000647848552 385898732 /nfs/dbraw/zinc/89/87/32/385898732.db2.gz UBRNHZUHJCOSRJ-UHFFFAOYSA-N 2 0 249.358 0.892 20 0 BCADRP CC(C)N1CCC[C@@H](N(C)CCC[NH3+])C1=O ZINC000647848092 385899510 /nfs/dbraw/zinc/89/95/10/385899510.db2.gz DDTMXULXCPVYRV-LLVKDONJSA-N 2 0 227.352 0.666 20 0 BCADRP COC(C)(C)[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000340200708 385902727 /nfs/dbraw/zinc/90/27/27/385902727.db2.gz RDDJKOZQFVZQHE-NEPJUHHUSA-N 2 0 244.379 0.846 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000294962444 385926696 /nfs/dbraw/zinc/92/66/96/385926696.db2.gz IJHUQWPSGZMABX-JTQLQIEISA-N 2 0 247.342 0.452 20 0 BCADRP CC1(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[NH2+]C1 ZINC000335036138 385926754 /nfs/dbraw/zinc/92/67/54/385926754.db2.gz KTQIKONJYUGFJV-JTQLQIEISA-N 2 0 239.363 0.490 20 0 BCADRP CC[C@@H](Cn1cncn1)[NH2+]CCn1ccnc1C ZINC000340467306 385861928 /nfs/dbraw/zinc/86/19/28/385861928.db2.gz GPFBCLRSVMELQK-LBPRGKRZSA-N 2 0 248.334 0.851 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000647811304 385862674 /nfs/dbraw/zinc/86/26/74/385862674.db2.gz GAGUHFSRCZKASL-GRYCIOLGSA-N 2 0 241.379 0.816 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000647732616 385864280 /nfs/dbraw/zinc/86/42/80/385864280.db2.gz PRRQZTKYLNDHPO-BDAKNGLRSA-N 2 0 247.289 0.038 20 0 BCADRP [NH3+][C@@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000647809310 385866427 /nfs/dbraw/zinc/86/64/27/385866427.db2.gz KAXTVMDHRUENGP-GFCCVEGCSA-N 2 0 211.353 0.799 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000262627741 385866978 /nfs/dbraw/zinc/86/69/78/385866978.db2.gz GKCGAMJNASVNKH-ZYHUDNBSSA-N 2 0 235.331 0.848 20 0 BCADRP C([C@H]1CC[NH2+]C1)N(C1CC1)C1CC[NH2+]CC1 ZINC000647814298 385869021 /nfs/dbraw/zinc/86/90/21/385869021.db2.gz HJIAZKYYDMCWDU-NSHDSACASA-N 2 0 223.364 0.812 20 0 BCADRP C[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])CC[C@@H]1[NH3+] ZINC000647816088 385869730 /nfs/dbraw/zinc/86/97/30/385869730.db2.gz PKMATWCYVVUWFU-ZJUUUORDSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC[N@@H+]1C ZINC000647817013 385870917 /nfs/dbraw/zinc/87/09/17/385870917.db2.gz YKRDRHOZAALQEW-KKOKHZNYSA-N 2 0 239.363 0.522 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H](C)C[NH3+])cc1 ZINC000262650051 385871112 /nfs/dbraw/zinc/87/11/12/385871112.db2.gz LCADJYAVRCCGBG-ONGXEEELSA-N 2 0 221.304 0.458 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)N(C)CCC[NH3+] ZINC000647830648 385872190 /nfs/dbraw/zinc/87/21/90/385872190.db2.gz ZDXYRTLZLMUDBI-UHFFFAOYSA-N 2 0 236.319 0.568 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000647734672 385872968 /nfs/dbraw/zinc/87/29/68/385872968.db2.gz FWCMGSOJNLNTCF-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000647830516 385873091 /nfs/dbraw/zinc/87/30/91/385873091.db2.gz NBWYHVCQDGGOQT-JTQLQIEISA-N 2 0 213.325 0.135 20 0 BCADRP NCC(F)(F)CNC(=O)c1ccc(C[NH3+])cc1 ZINC000262689394 385874425 /nfs/dbraw/zinc/87/44/25/385874425.db2.gz FRJOUFMFVBVJPK-UHFFFAOYSA-N 2 0 243.257 0.469 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CCC(C)(C)[NH3+] ZINC000647827788 385876215 /nfs/dbraw/zinc/87/62/15/385876215.db2.gz ZKFKPLZNQGIATR-GFCCVEGCSA-N 2 0 229.368 0.994 20 0 BCADRP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)C[NH+](C)C ZINC000647830145 385877738 /nfs/dbraw/zinc/87/77/38/385877738.db2.gz NUIWLJZNSMUSDJ-UWVGGRQHSA-N 2 0 213.325 0.099 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647829411 385878573 /nfs/dbraw/zinc/87/85/73/385878573.db2.gz AJMPKKUYOUZQAP-PREPNJAASA-N 2 0 237.347 0.086 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000647836862 385882206 /nfs/dbraw/zinc/88/22/06/385882206.db2.gz MXRILZMJOXSWSK-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000295149754 385978089 /nfs/dbraw/zinc/97/80/89/385978089.db2.gz JMABUWZXTCHZFG-OCCSQVGLSA-N 2 0 249.358 0.960 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335021138 385979927 /nfs/dbraw/zinc/97/99/27/385979927.db2.gz CGLUMENDNYUKPP-VXGBXAGGSA-N 2 0 225.380 0.916 20 0 BCADRP CC1CC[NH+](CC(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000335020182 385979997 /nfs/dbraw/zinc/97/99/97/385979997.db2.gz BPQGQUKBXUKLRY-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH+](CC)CCC[NH2+]C(C)(C)CC(N)=O ZINC000336769670 385988051 /nfs/dbraw/zinc/98/80/51/385988051.db2.gz SFBWDFNAOHIJRC-UHFFFAOYSA-N 2 0 229.368 0.962 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000295185942 385988884 /nfs/dbraw/zinc/98/88/84/385988884.db2.gz IEVKSNIGUJNRNX-NEPJUHHUSA-N 2 0 235.331 0.410 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000295214209 385992865 /nfs/dbraw/zinc/99/28/65/385992865.db2.gz LYRWLQCNZHIDLK-VXGBXAGGSA-N 2 0 235.331 0.930 20 0 BCADRP C[C@H](C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21)[NH+](C)C ZINC000639020088 385931999 /nfs/dbraw/zinc/93/19/99/385931999.db2.gz JPORKPRXZKXTNY-UTUOFQBUSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1CCNC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000335043296 385935099 /nfs/dbraw/zinc/93/50/99/385935099.db2.gz VLMLGCUHIFUXTE-DGCLKSJQSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000335043298 385935257 /nfs/dbraw/zinc/93/52/57/385935257.db2.gz VLMLGCUHIFUXTE-YPMHNXCESA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC000335042633 385935451 /nfs/dbraw/zinc/93/54/51/385935451.db2.gz FFEYRCDGRWAQPB-ZJUUUORDSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1cn[nH]c1 ZINC000309012982 385935784 /nfs/dbraw/zinc/93/57/84/385935784.db2.gz PTJIZVFODFHWHR-GXSJLCMTSA-N 2 0 208.309 0.764 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCCC[NH3+] ZINC000417445386 385936286 /nfs/dbraw/zinc/93/62/86/385936286.db2.gz GQTBSFYOTDQONA-SNVBAGLBSA-N 2 0 230.356 0.365 20 0 BCADRP C[C@H](CO)[NH+](C)C/C=C\C[N@@H+](C)[C@@H](C)CO ZINC000342087817 385937541 /nfs/dbraw/zinc/93/75/41/385937541.db2.gz RGCLWSRWKRKAIN-DLXAAPBESA-N 2 0 230.352 0.168 20 0 BCADRP CC1(C(=O)NCC2([NH3+])CCCCCC2)C[NH2+]C1 ZINC000335044128 385938989 /nfs/dbraw/zinc/93/89/89/385938989.db2.gz XGBJOKIRKHPCEC-UHFFFAOYSA-N 2 0 239.363 0.764 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(O)CCC1 ZINC000335051644 385948806 /nfs/dbraw/zinc/94/88/06/385948806.db2.gz STVCZEHDFXWFSA-WDEREUQCSA-N 2 0 212.337 0.879 20 0 BCADRP CN(C)C(=O)CC[NH+]1CCC(C)([NH3+])CC1 ZINC000647924325 385948948 /nfs/dbraw/zinc/94/89/48/385948948.db2.gz YGWFIVBSALHOKB-UHFFFAOYSA-N 2 0 213.325 0.278 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000417448953 385951744 /nfs/dbraw/zinc/95/17/44/385951744.db2.gz WZUUAIQXGZDSAV-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000295055038 385954784 /nfs/dbraw/zinc/95/47/84/385954784.db2.gz PWJJCOWSNWMMPJ-GFCCVEGCSA-N 2 0 249.358 0.959 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH2+]CC1 ZINC000417447081 385957131 /nfs/dbraw/zinc/95/71/31/385957131.db2.gz OHGYFFIFZAGSTM-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000295072648 385959040 /nfs/dbraw/zinc/95/90/40/385959040.db2.gz HMWADAHRFQJFED-SCVCMEIPSA-N 2 0 235.331 0.786 20 0 BCADRP [NH3+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCC1 ZINC000335059290 385961761 /nfs/dbraw/zinc/96/17/61/385961761.db2.gz WVJXOENDKMPBCG-UHFFFAOYSA-N 2 0 237.347 0.612 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365228857 385965704 /nfs/dbraw/zinc/96/57/04/385965704.db2.gz USBFYTMMUQJWGI-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000295096949 385966042 /nfs/dbraw/zinc/96/60/42/385966042.db2.gz UJCDGJIWHCHXAR-JOYOIKCWSA-N 2 0 233.315 0.164 20 0 BCADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414880523 385972569 /nfs/dbraw/zinc/97/25/69/385972569.db2.gz QWPGLOHBYMCGOT-NSHDSACASA-N 2 0 245.330 0.952 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000309246346 385998016 /nfs/dbraw/zinc/99/80/16/385998016.db2.gz NQBDKKNXNAOSKX-WDEREUQCSA-N 2 0 225.336 0.276 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000295267823 386002737 /nfs/dbraw/zinc/00/27/37/386002737.db2.gz RVJZAKVSSCEXPX-RYUDHWBXSA-N 2 0 235.331 0.582 20 0 BCADRP CC[N@H+](CCNC(=O)NC[C@H](C)C[NH3+])C(C)C ZINC000417458813 386011618 /nfs/dbraw/zinc/01/16/18/386011618.db2.gz IOLHKOPDHHKPPL-LLVKDONJSA-N 2 0 244.383 0.611 20 0 BCADRP CC[N@H+](CCNC(=O)N[C@H](C)[C@H](C)[NH3+])C(C)C ZINC000417460645 386012901 /nfs/dbraw/zinc/01/29/01/386012901.db2.gz KDIMRYFGGRJQQK-WDEREUQCSA-N 2 0 244.383 0.752 20 0 BCADRP COCC(C)(C)C[NH2+]C[C@H]1CNCCN1C ZINC000414976145 386014112 /nfs/dbraw/zinc/01/41/12/386014112.db2.gz NNTBGQNILUGIFR-LLVKDONJSA-N 2 0 229.368 0.152 20 0 BCADRP C[C@H](C[C@H]1CCC[NH2+]1)NC[C@H]1C[NH2+]CCN1C ZINC000414976085 386015950 /nfs/dbraw/zinc/01/59/50/386015950.db2.gz NJNYYCCDTHKHHK-JHJVBQTASA-N 3 0 240.395 0.010 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000236936364 259680081 /nfs/dbraw/zinc/68/00/81/259680081.db2.gz MFJJBKSXMMPTFK-NGZCFLSTSA-N 2 0 225.336 0.465 20 0 BCADRP COC[C@@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000345169923 386037456 /nfs/dbraw/zinc/03/74/56/386037456.db2.gz VPGIGPMKGSXAKF-GFCCVEGCSA-N 2 0 244.379 0.846 20 0 BCADRP CCN(C)C[C@@H](O)C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000647968914 386110276 /nfs/dbraw/zinc/11/02/76/386110276.db2.gz BBZUDZKCCQPSNU-VXGBXAGGSA-N 2 0 246.395 0.638 20 0 BCADRP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000647769960 386119045 /nfs/dbraw/zinc/11/90/45/386119045.db2.gz QEVWNNAZDMZEGB-GRYCIOLGSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@@H]([NH3+])C[NH2+]CCC(C)(C)C(=O)OC ZINC000414981437 386065715 /nfs/dbraw/zinc/06/57/15/386065715.db2.gz BUEIDSOKQQIMLA-SECBINFHSA-N 2 0 216.325 0.903 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335073458 386066393 /nfs/dbraw/zinc/06/63/93/386066393.db2.gz NPVMNMDGSASFFK-GHMZBOCLSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000334440384 386068987 /nfs/dbraw/zinc/06/89/87/386068987.db2.gz WRONTSSIYITCPX-VXGBXAGGSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000335062470 386073614 /nfs/dbraw/zinc/07/36/14/386073614.db2.gz OVDWHICYDPDYDY-GXSJLCMTSA-N 2 0 233.315 0.498 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2CN)CC[NH2+]1 ZINC000414655863 386081157 /nfs/dbraw/zinc/08/11/57/386081157.db2.gz HUABUNAIJXZJKE-GRYCIOLGSA-N 2 0 211.353 0.798 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](C)C1 ZINC000345293101 386092904 /nfs/dbraw/zinc/09/29/04/386092904.db2.gz DVBXVWYJXQINGC-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP [NH3+]CC1(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000414662524 386099797 /nfs/dbraw/zinc/09/97/97/386099797.db2.gz AGBICAHENZGLII-SRVKXCTJSA-N 2 0 223.364 0.785 20 0 BCADRP CC(C)([NH3+])C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000334473688 386146921 /nfs/dbraw/zinc/14/69/21/386146921.db2.gz JTRQWMZGGASQMO-LBPRGKRZSA-N 2 0 247.342 0.727 20 0 BCADRP COCC[NH2+]CCN[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000414892431 386147751 /nfs/dbraw/zinc/14/77/51/386147751.db2.gz XAXPTQDRQKJTHB-NWDGAFQWSA-N 2 0 229.368 0.343 20 0 BCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000334476056 386152972 /nfs/dbraw/zinc/15/29/72/386152972.db2.gz OLNYYAOQUAVMJR-CMPLNLGQSA-N 2 0 237.347 0.434 20 0 BCADRP CC(C)[N@@H+](CC(N)=O)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414677803 386157013 /nfs/dbraw/zinc/15/70/13/386157013.db2.gz JTFVWQXOFBKMNZ-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@]1(C[NH2+]C[C@H]2CCNCC2(F)F)CC[NH2+]C1 ZINC000414993206 386166246 /nfs/dbraw/zinc/16/62/46/386166246.db2.gz CGJQVYHPTYOMMR-MNOVXSKESA-N 2 0 247.333 0.820 20 0 BCADRP CC[C@H]([NH3+])c1cn(C[C@@H](O)C[N@H+](C)CC)nn1 ZINC000310315110 386173462 /nfs/dbraw/zinc/17/34/62/386173462.db2.gz XIFFNPRRHJPJGR-UWVGGRQHSA-N 2 0 241.339 0.001 20 0 BCADRP CC[N@@H+](CC(=O)OC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414686444 386175624 /nfs/dbraw/zinc/17/56/24/386175624.db2.gz ASKIFPKYIXTLNG-MNOVXSKESA-N 2 0 228.336 0.869 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000414688692 386177370 /nfs/dbraw/zinc/17/73/70/386177370.db2.gz DWACUVFIEZIVBT-LLVKDONJSA-N 2 0 208.309 0.869 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000414688693 386177437 /nfs/dbraw/zinc/17/74/37/386177437.db2.gz DWACUVFIEZIVBT-NSHDSACASA-N 2 0 208.309 0.869 20 0 BCADRP C[C@H]1C[C@@H](C[N@@H+]2CCC[C@H]2CO)CC[NH2+]1 ZINC000414690770 386185292 /nfs/dbraw/zinc/18/52/92/386185292.db2.gz NSUQSTWIHRODOZ-SRVKXCTJSA-N 2 0 212.337 0.831 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414669469 386129060 /nfs/dbraw/zinc/12/90/60/386129060.db2.gz BKRFUSNCIMTXQO-GRYCIOLGSA-N 2 0 240.347 0.869 20 0 BCADRP CC[N@H+](CCNC(=O)N1CC[C@@H]([NH3+])C1)C1CC1 ZINC000417484770 386131166 /nfs/dbraw/zinc/13/11/66/386131166.db2.gz LAOVPXONTIFJSJ-SNVBAGLBSA-N 2 0 240.351 0.213 20 0 BCADRP C[C@@H]1C[C@@H](C[N@H+](CCO)C2CC2)CC[NH2+]1 ZINC000414674603 386141723 /nfs/dbraw/zinc/14/17/23/386141723.db2.gz KTMATUWTDPWKNR-MNOVXSKESA-N 2 0 212.337 0.831 20 0 BCADRP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000414891739 386141760 /nfs/dbraw/zinc/14/17/60/386141760.db2.gz WWNDESOMUPWAEZ-SRVKXCTJSA-N 2 0 211.353 0.668 20 0 BCADRP C[N@H+](CCNC(=O)CCc1ncc[nH]1)C1CC1 ZINC000287693912 386142053 /nfs/dbraw/zinc/14/20/53/386142053.db2.gz ZONXIMZJPVYHLY-UHFFFAOYSA-N 2 0 236.319 0.553 20 0 BCADRP COC(=O)CC[N@H+](CCC[NH3+])C(C)C ZINC000414697031 386203130 /nfs/dbraw/zinc/20/31/30/386203130.db2.gz POMCTYDIWLDCHL-UHFFFAOYSA-N 2 0 202.298 0.609 20 0 BCADRP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131509708 386210282 /nfs/dbraw/zinc/21/02/82/386210282.db2.gz RQYDUFDXBXIRNG-SRVKXCTJSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000417507732 386211185 /nfs/dbraw/zinc/21/11/85/386211185.db2.gz OHJPWCFCRWWESP-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP CCC(=O)N[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647882929 386233461 /nfs/dbraw/zinc/23/34/61/386233461.db2.gz PZMRLLBTCIYKRA-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132873253 386258251 /nfs/dbraw/zinc/25/82/51/386258251.db2.gz HFNDKUBMEPMVOU-UTUOFQBUSA-N 2 0 239.363 0.713 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC[C@@H]1CC[NH2+]C1 ZINC000647988104 386292471 /nfs/dbraw/zinc/29/24/71/386292471.db2.gz OKJMFVOEDKWDLO-MNOVXSKESA-N 2 0 211.353 0.574 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC[C@H]1CC[NH2+]C1 ZINC000647988106 386292850 /nfs/dbraw/zinc/29/28/50/386292850.db2.gz OKJMFVOEDKWDLO-WDEREUQCSA-N 2 0 211.353 0.574 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000236647954 386296585 /nfs/dbraw/zinc/29/65/85/386296585.db2.gz FNKZGGQGDWXPEG-LLVKDONJSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000336730931 386302971 /nfs/dbraw/zinc/30/29/71/386302971.db2.gz FAWWXOHLJWILBG-MWLCHTKSSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@](C)(C(N)=O)C2)CC[NH2+]1 ZINC000414739966 386315867 /nfs/dbraw/zinc/31/58/67/386315867.db2.gz CNUMLXHXAJGXRF-NTZNESFSSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H](O)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000336670414 386316022 /nfs/dbraw/zinc/31/60/22/386316022.db2.gz GQCHMTOWOYCCJO-MNOVXSKESA-N 2 0 200.326 0.641 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092004084 386317760 /nfs/dbraw/zinc/31/77/60/386317760.db2.gz LFPWFBTZUGEKSG-WOPDTQHZSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000289124162 386262800 /nfs/dbraw/zinc/26/28/00/386262800.db2.gz DOFIWXXYXNUCLB-JOYOIKCWSA-N 2 0 233.315 0.707 20 0 BCADRP [NH3+]C[C@@H](NC(=O)CCC1CC[NH2+]CC1)C1CC1 ZINC000238053645 259685695 /nfs/dbraw/zinc/68/56/95/259685695.db2.gz UFSFNNCSOPZMSH-GFCCVEGCSA-N 2 0 239.363 0.620 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000647987709 386278566 /nfs/dbraw/zinc/27/85/66/386278566.db2.gz SFHRCEDXEBOQHE-SDDRHHMPSA-N 2 0 209.337 0.422 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647987703 386278966 /nfs/dbraw/zinc/27/89/66/386278966.db2.gz SCCPHWYXLABZSX-SRVKXCTJSA-N 2 0 209.337 0.280 20 0 BCADRP CC(C)[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000336683205 386345530 /nfs/dbraw/zinc/34/55/30/386345530.db2.gz JPNQICYHIAHXNE-NWDGAFQWSA-N 2 0 214.353 0.887 20 0 BCADRP C[C@H](CNC(=O)NC[C@@H](C)C[NH3+])[N@H+](C)C1CC1 ZINC000417547078 386348564 /nfs/dbraw/zinc/34/85/64/386348564.db2.gz GNWRBISWPXJGPU-VHSXEESVSA-N 2 0 242.367 0.363 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000417552509 386358154 /nfs/dbraw/zinc/35/81/54/386358154.db2.gz RLORQQOLYMAAOS-VHSXEESVSA-N 2 0 242.367 0.506 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C[NH3+])c1ccc(F)cc1 ZINC000237136722 386359582 /nfs/dbraw/zinc/35/95/82/386359582.db2.gz RUMXGRHLVRJILD-NSHDSACASA-N 2 0 239.294 0.503 20 0 BCADRP c1ncn([C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000647989568 386359700 /nfs/dbraw/zinc/35/97/00/386359700.db2.gz GFKUMUWPUBJHRK-GHMZBOCLSA-N 2 0 221.308 0.134 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000112926165 386371048 /nfs/dbraw/zinc/37/10/48/386371048.db2.gz KEOHANAPRNOQCV-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CC[NH+](CC)CCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000416785925 386380821 /nfs/dbraw/zinc/38/08/21/386380821.db2.gz BWPNQLAAIJCSFA-LLVKDONJSA-N 2 0 242.367 0.365 20 0 BCADRP CC[NH+](CC)CCNC(=O)NC1CC[NH2+]CC1 ZINC000416790495 386384118 /nfs/dbraw/zinc/38/41/18/386384118.db2.gz MMMITKDAFXJKER-UHFFFAOYSA-N 2 0 242.367 0.379 20 0 BCADRP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000262566396 386331455 /nfs/dbraw/zinc/33/14/55/386331455.db2.gz DIJJLRJPVZJVGB-NWDGAFQWSA-N 2 0 241.379 0.912 20 0 BCADRP COCCN1CCC[C@H]1C[NH2+]C1CC(OC)C1 ZINC000347340381 386335585 /nfs/dbraw/zinc/33/55/85/386335585.db2.gz ODRLDNNJRVBECZ-CPCZMJQVSA-N 2 0 242.363 0.864 20 0 BCADRP CC[N@H+](CCOCCO)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414743552 386336615 /nfs/dbraw/zinc/33/66/15/386336615.db2.gz HIDLTOBFFYLGOG-CHWSQXEVSA-N 2 0 244.379 0.705 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335276664 386339452 /nfs/dbraw/zinc/33/94/52/386339452.db2.gz PLEQDPXFKGIJRZ-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)NCC[NH2+]CC ZINC000417609660 386444029 /nfs/dbraw/zinc/44/40/29/386444029.db2.gz LRZNPVRFBGNINM-UHFFFAOYSA-N 2 0 244.383 0.627 20 0 BCADRP Cc1ccc2ncc(CN(CC[NH3+])CCO)n2c1 ZINC000414907108 386387883 /nfs/dbraw/zinc/38/78/83/386387883.db2.gz DDTKCJCIENEAQJ-UHFFFAOYSA-N 2 0 248.330 0.396 20 0 BCADRP CC[NH+](CC)CCNC(=O)NC[C@H](C)C[NH2+]C ZINC000416800490 386389649 /nfs/dbraw/zinc/38/96/49/386389649.db2.gz QZWYJQLKAHKWDF-LLVKDONJSA-N 2 0 244.383 0.483 20 0 BCADRP CC(C)(CNC(=O)NCC[NH3+])[NH+]1CCCCC1 ZINC000416824076 386391982 /nfs/dbraw/zinc/39/19/82/386391982.db2.gz HYTMXRZKMOJNBF-UHFFFAOYSA-N 2 0 242.367 0.509 20 0 BCADRP C[NH+](C)C1(CNC(=O)NCC[NH3+])CCCCC1 ZINC000416836229 386392341 /nfs/dbraw/zinc/39/23/41/386392341.db2.gz ZOEANKVKAYVVCT-UHFFFAOYSA-N 2 0 242.367 0.509 20 0 BCADRP C[C@@H](CNC(=O)CCC[NH3+])[N@H+](C)C1CC1 ZINC000226399587 386396089 /nfs/dbraw/zinc/39/60/89/386396089.db2.gz PLOZGIAOCOWOHE-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP CC[NH2+]CCNC(=O)NCCC[NH+](CC)CC ZINC000416804996 386396329 /nfs/dbraw/zinc/39/63/29/386396329.db2.gz CDQRKLOOKFFNKY-UHFFFAOYSA-N 2 0 244.383 0.627 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1[NH3+] ZINC000414760227 386412709 /nfs/dbraw/zinc/41/27/09/386412709.db2.gz GUUMQBUJJWONIS-DDHJBXDOSA-N 3 0 211.353 0.654 20 0 BCADRP C[C@H]([NH3+])CN1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000442665602 386417232 /nfs/dbraw/zinc/41/72/32/386417232.db2.gz NEPYRVYGHWWYAT-RYUDHWBXSA-N 2 0 241.379 0.519 20 0 BCADRP COC(=O)[C@H]1CC[N@H+](CCC[NH3+])[C@@H]1C ZINC000414761982 386420705 /nfs/dbraw/zinc/42/07/05/386420705.db2.gz VEHRTEGNMJMTSK-BDAKNGLRSA-N 2 0 200.282 0.219 20 0 BCADRP CC[N@H+](C)CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000134557194 386424123 /nfs/dbraw/zinc/42/41/23/386424123.db2.gz FNYPHAAYWYUUIC-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP CC[N@H+](C)CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134557171 386424295 /nfs/dbraw/zinc/42/42/95/386424295.db2.gz FNYPHAAYWYUUIC-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP CC[C@]1(C(=O)N[C@@H](C[NH3+])C2CC2)CCC[NH2+]1 ZINC000134369027 386427871 /nfs/dbraw/zinc/42/78/71/386427871.db2.gz IPBPMEWIUUEMQW-CMPLNLGQSA-N 2 0 225.336 0.372 20 0 BCADRP CC[NH+](CC)CCNC(=O)C1(C)C[NH2+]C1 ZINC000399150247 386428284 /nfs/dbraw/zinc/42/82/84/386428284.db2.gz FORWMZUKPHMEPO-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000519402957 386430005 /nfs/dbraw/zinc/43/00/05/386430005.db2.gz MGPLAEDULRTXIL-OUAUKWLOSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCC[NH3+] ZINC000417017015 386432710 /nfs/dbraw/zinc/43/27/10/386432710.db2.gz GNPHTBPSSSZVLC-NSHDSACASA-N 2 0 242.367 0.509 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](C)C[NH3+] ZINC000417001097 386435838 /nfs/dbraw/zinc/43/58/38/386435838.db2.gz DPUSTDZOVCVXTG-WDEREUQCSA-N 2 0 244.383 0.611 20 0 BCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH3+])C1 ZINC000417245900 386466403 /nfs/dbraw/zinc/46/64/03/386466403.db2.gz ZQUZTGMOWWRBKG-NSHDSACASA-N 2 0 242.367 0.366 20 0 BCADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414773451 386466451 /nfs/dbraw/zinc/46/64/51/386466451.db2.gz AKJNNQWATMFGBP-LJISPDSOSA-N 2 0 246.354 0.960 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000417276949 386470274 /nfs/dbraw/zinc/47/02/74/386470274.db2.gz FOCFDDOHPOSSAH-LPEHRKFASA-N 2 0 228.340 0.116 20 0 BCADRP C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)[C@H](C)[NH3+] ZINC000417276948 386470372 /nfs/dbraw/zinc/47/03/72/386470372.db2.gz FOCFDDOHPOSSAH-IVZWLZJFSA-N 2 0 228.340 0.116 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000417284980 386474112 /nfs/dbraw/zinc/47/41/12/386474112.db2.gz KUNOOZNLAPPUAP-WDEREUQCSA-N 2 0 242.367 0.363 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000417285368 386476426 /nfs/dbraw/zinc/47/64/26/386476426.db2.gz LKMCPDMLGXTMTR-MNOVXSKESA-N 2 0 242.367 0.378 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000335426864 386479732 /nfs/dbraw/zinc/47/97/32/386479732.db2.gz CTWSABBVTMNCDH-ZWNOBZJWSA-N 2 0 247.342 0.808 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H](C)CC[NH+](C)C ZINC000417316426 386482723 /nfs/dbraw/zinc/48/27/23/386482723.db2.gz FFWSJJKNBVYFCI-LLVKDONJSA-N 2 0 244.383 0.625 20 0 BCADRP C[NH2+]CC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000335428601 386484666 /nfs/dbraw/zinc/48/46/66/386484666.db2.gz ISNHTUCEFWJHIG-LBPRGKRZSA-N 2 0 233.315 0.291 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000335432889 386490611 /nfs/dbraw/zinc/49/06/11/386490611.db2.gz FEQXBBBEZXQELS-QWRGUYRKSA-N 2 0 225.336 0.149 20 0 BCADRP Cc1nc[nH]c1CNC(=O)C[N@@H+](C)C(C)C ZINC000267071602 386492466 /nfs/dbraw/zinc/49/24/66/386492466.db2.gz BGILVKGLEFGSEH-UHFFFAOYSA-N 2 0 224.308 0.675 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N[C@H](C)CC[NH+](C)C ZINC000417321586 386495097 /nfs/dbraw/zinc/49/50/97/386495097.db2.gz TVHPHQMIPGKEJX-GHMZBOCLSA-N 2 0 244.383 0.753 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)C[NH3+])C[NH+]1CCCC1 ZINC000062073594 386495533 /nfs/dbraw/zinc/49/55/33/386495533.db2.gz JQYLTYGBZVEXNG-GHMZBOCLSA-N 2 0 227.352 0.429 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000417321585 386495905 /nfs/dbraw/zinc/49/59/05/386495905.db2.gz TVFYTHPNIYYKGZ-WDEREUQCSA-N 2 0 244.383 0.609 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000417321588 386496764 /nfs/dbraw/zinc/49/67/64/386496764.db2.gz TVHPHQMIPGKEJX-QWRGUYRKSA-N 2 0 244.383 0.753 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@H](C)CC[NH+](C)C ZINC000417320770 386496969 /nfs/dbraw/zinc/49/69/69/386496969.db2.gz RGUYMGFRQXXMBW-SNVBAGLBSA-N 2 0 230.356 0.235 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335442275 386501198 /nfs/dbraw/zinc/50/11/98/386501198.db2.gz FGYTXYICAOVRDL-NWDGAFQWSA-N 2 0 239.363 0.396 20 0 BCADRP CC[N@@H+]1CC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](C)C1 ZINC000415020030 386508798 /nfs/dbraw/zinc/50/87/98/386508798.db2.gz APZXROIHRNQVDO-BNDIWNMDSA-N 2 0 223.364 0.524 20 0 BCADRP [NH3+]CC1(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000335447619 386514547 /nfs/dbraw/zinc/51/45/47/386514547.db2.gz FGVNDUHRSHXJBX-GHMZBOCLSA-N 3 0 209.337 0.409 20 0 BCADRP Cc1c[nH]nc1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000335449145 386516313 /nfs/dbraw/zinc/51/63/13/386516313.db2.gz VZLBNUHJATURER-UWVGGRQHSA-N 2 0 208.309 0.887 20 0 BCADRP Cc1c[nH]nc1CN1CC[C@](C)(C[NH3+])C1 ZINC000335448059 386517129 /nfs/dbraw/zinc/51/71/29/386517129.db2.gz LHUDGYUEKGMEDO-LLVKDONJSA-N 2 0 208.309 0.889 20 0 BCADRP [NH3+]CC1(CN2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000335449150 386517652 /nfs/dbraw/zinc/51/76/52/386517652.db2.gz WCVNRUGOXJKJSM-QWRGUYRKSA-N 3 0 209.337 0.267 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000519650034 386519661 /nfs/dbraw/zinc/51/96/61/386519661.db2.gz YKAQSJXMBRRTOJ-DCAQKATOSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H]1C[C@@H](C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC000415033983 386522241 /nfs/dbraw/zinc/52/22/41/386522241.db2.gz JHSNZXJHHCWQGD-OBPIAQAESA-N 2 0 224.348 0.999 20 0 BCADRP CC1(C)[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]2CCO[C@H]21 ZINC000415037286 386524533 /nfs/dbraw/zinc/52/45/33/386524533.db2.gz MVAGDSPGYVONFW-PQTSNVLCSA-N 2 0 222.332 0.607 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000399205528 386454346 /nfs/dbraw/zinc/45/43/46/386454346.db2.gz OSCZDTKRYNDWPM-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP CN(C(=O)[C@@]1(C)CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000062889021 386528200 /nfs/dbraw/zinc/52/82/00/386528200.db2.gz PPSQZIKLUKXKLW-ZDUSSCGKSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](CNC(=O)N[C@H](C)C[NH3+])C[NH+]1CCCC1 ZINC000417130457 386460475 /nfs/dbraw/zinc/46/04/75/386460475.db2.gz BNONLVSDRBEQDN-GHMZBOCLSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H](CNC(=O)C1(C)C[NH2+]C1)[N@H+](C)C1CC1 ZINC000399222746 386460558 /nfs/dbraw/zinc/46/05/58/386460558.db2.gz WNSLAGJOLIZJRM-SECBINFHSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])[NH+](C)C ZINC000638423019 386462814 /nfs/dbraw/zinc/46/28/14/386462814.db2.gz LYXMLUCBDNNJSB-MXWKQRLJSA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226403709 386464283 /nfs/dbraw/zinc/46/42/83/386464283.db2.gz HOZUDCICINUDKJ-AEJSXWLSSA-N 2 0 213.325 0.323 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000335410731 386574143 /nfs/dbraw/zinc/57/41/43/386574143.db2.gz SUFDHZUUJNRZAG-MWLCHTKSSA-N 2 0 225.336 0.311 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000647779140 386574765 /nfs/dbraw/zinc/57/47/65/386574765.db2.gz RHJZVFFNHMDGMN-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000647779141 386576195 /nfs/dbraw/zinc/57/61/95/386576195.db2.gz RHJZVFFNHMDGMN-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000647905023 386584180 /nfs/dbraw/zinc/58/41/80/386584180.db2.gz LLTMALKATFMWDJ-UTUOFQBUSA-N 2 0 211.353 0.655 20 0 BCADRP CC1CC[NH+](CC(=O)NC2CC[NH2+]CC2)CC1 ZINC000335419485 386589741 /nfs/dbraw/zinc/58/97/41/386589741.db2.gz DNSIJKDJEYMDTA-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CC[NH2+]C1 ZINC000178409406 386595606 /nfs/dbraw/zinc/59/56/06/386595606.db2.gz DLOBOUNGBLLHQX-LBPRGKRZSA-N 2 0 233.315 0.579 20 0 BCADRP C[N@H+](CCNC(=O)[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000062910528 386532022 /nfs/dbraw/zinc/53/20/22/386532022.db2.gz VCFVIRFWTYHUAN-LBPRGKRZSA-N 2 0 225.336 0.196 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062902995 386533426 /nfs/dbraw/zinc/53/34/26/386533426.db2.gz JAVSQQFHPPJADX-WCQYABFASA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)CCC[NH2+]C)C1 ZINC000062972792 386535578 /nfs/dbraw/zinc/53/55/78/386535578.db2.gz SWCAMAILTRZNRD-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[NH+](C)CC[C@H](NC(=O)NCC[NH3+])C(C)(C)C ZINC000417680993 386537445 /nfs/dbraw/zinc/53/74/45/386537445.db2.gz OUNMHSMVMXRJTD-JTQLQIEISA-N 2 0 244.383 0.611 20 0 BCADRP C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000415057637 386538684 /nfs/dbraw/zinc/53/86/84/386538684.db2.gz QMPDMINUEQGIOT-FRRDWIJNSA-N 2 0 225.380 0.903 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000519712141 386543074 /nfs/dbraw/zinc/54/30/74/386543074.db2.gz LJARQLKHFWYJFQ-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000519712152 386543537 /nfs/dbraw/zinc/54/35/37/386543537.db2.gz LJARQLKHFWYJFQ-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP c1cn([C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)nn1 ZINC000647995207 386544188 /nfs/dbraw/zinc/54/41/88/386544188.db2.gz FMLHHKZPTUHFEU-NWDGAFQWSA-N 2 0 235.335 0.525 20 0 BCADRP C[C@@H](C[C@H]1CCC[NH2+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415068077 386549327 /nfs/dbraw/zinc/54/93/27/386549327.db2.gz VDZNMZDYHJTLEP-RNWYCLNJSA-N 2 0 209.337 0.324 20 0 BCADRP C[C@H]1C[C@@H](N(C)C(=O)C2([NH3+])CCC2)CC[N@@H+]1C ZINC000335464751 386550684 /nfs/dbraw/zinc/55/06/84/386550684.db2.gz METUWCLVXVMRKB-QWRGUYRKSA-N 2 0 239.363 0.809 20 0 BCADRP CC(C)[C@H]([NH3+])CNCC[NH2+]C(C)(C)C ZINC000414802401 386597281 /nfs/dbraw/zinc/59/72/81/386597281.db2.gz VRIRLXABYYPELL-SNVBAGLBSA-N 2 0 201.358 0.947 20 0 BCADRP C[C@@]1(CNCCC[NH2+]C2CC2)CC[NH2+]C1 ZINC000415067933 386552732 /nfs/dbraw/zinc/55/27/32/386552732.db2.gz LRNRWBVKFCBAOI-LBPRGKRZSA-N 2 0 211.353 0.718 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000519763143 386552853 /nfs/dbraw/zinc/55/28/53/386552853.db2.gz JNNCVUKFCDMXDD-RKDXNWHRSA-N 2 0 213.325 0.099 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000519776104 386554982 /nfs/dbraw/zinc/55/49/82/386554982.db2.gz YITAUCLNZFRWPU-SRVKXCTJSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]1CC[N@H+](CCc2ccnn2C)C[C@H]1C[NH3+] ZINC000300018118 386555445 /nfs/dbraw/zinc/55/54/45/386555445.db2.gz UZTIIHPDGZEECP-NWDGAFQWSA-N 2 0 236.363 0.879 20 0 BCADRP CO[C@@H](C[NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000353189937 386556775 /nfs/dbraw/zinc/55/67/75/386556775.db2.gz NYTKOSWCCNYOJI-JTQLQIEISA-N 2 0 243.351 0.128 20 0 BCADRP C[N@H+](CCNC(=O)C(C)(C)C[NH3+])C1CC1 ZINC000061995840 386558511 /nfs/dbraw/zinc/55/85/11/386558511.db2.gz CYFLLLDWWVUAQS-UHFFFAOYSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[C@H]([NH3+])CNCc1cnc(N(C)C)nc1 ZINC000414802801 386597610 /nfs/dbraw/zinc/59/76/10/386597610.db2.gz VYAVVWXEVIWPIM-LLVKDONJSA-N 2 0 237.351 0.616 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000519821670 386562236 /nfs/dbraw/zinc/56/22/36/386562236.db2.gz DGALUUFNEAUFIQ-GWCFXTLKSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]CCCNc1ccccn1 ZINC000267613519 386562721 /nfs/dbraw/zinc/56/27/21/386562721.db2.gz RYNBQQYXQNRYPN-JTQLQIEISA-N 2 0 236.319 0.737 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000519826302 386564770 /nfs/dbraw/zinc/56/47/70/386564770.db2.gz QIBLTAMUTYPZNM-LLVKDONJSA-N 2 0 241.379 0.879 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000519830989 386565808 /nfs/dbraw/zinc/56/58/08/386565808.db2.gz ZBUAEQQKHIGLRY-QWHCGFSZSA-N 2 0 225.380 0.917 20 0 BCADRP CC[C@]1(C(=O)N(C)[C@@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000184074914 386567021 /nfs/dbraw/zinc/56/70/21/386567021.db2.gz OQAPIBIOGQHIIM-ZYHUDNBSSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000136194217 386570067 /nfs/dbraw/zinc/57/00/67/386570067.db2.gz UVICVZVRUOCXCM-CYBMUJFWSA-N 2 0 239.363 0.729 20 0 BCADRP CN(C[C@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647903659 386570236 /nfs/dbraw/zinc/57/02/36/386570236.db2.gz NWTRJQWEOYPQGD-ACJTYDJDSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@@H](C[NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000335497159 386620748 /nfs/dbraw/zinc/62/07/48/386620748.db2.gz WXCWVEIHSWCWLK-QMMMGPOBSA-N 2 0 219.288 0.823 20 0 BCADRP O=C1C[C@@H]([NH2+]CC2CC[NH2+]CC2)CN1C1CC1 ZINC000415116831 386630618 /nfs/dbraw/zinc/63/06/18/386630618.db2.gz VHFHXNYVTUSZSJ-LLVKDONJSA-N 2 0 237.347 0.339 20 0 BCADRP CC[C@]1(C(=O)NCC[NH+](C)C)CC[NH2+]C1 ZINC000062887315 386631692 /nfs/dbraw/zinc/63/16/92/386631692.db2.gz YXEFDVNCTVMRHM-NSHDSACASA-N 2 0 213.325 0.054 20 0 BCADRP C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000415138972 386631883 /nfs/dbraw/zinc/63/18/83/386631883.db2.gz ZJULGMKNBGSMDW-FRRDWIJNSA-N 2 0 225.380 0.903 20 0 BCADRP CC(=O)N1CCC[N@H+](CCn2ccnc2)CC1 ZINC000179312677 386635366 /nfs/dbraw/zinc/63/53/66/386635366.db2.gz FWACLBBEBVIIIT-UHFFFAOYSA-N 2 0 236.319 0.437 20 0 BCADRP COC(=O)[C@]1(C)CCC[N@H+](CCC[NH3+])C1 ZINC000415139578 386636652 /nfs/dbraw/zinc/63/66/52/386636652.db2.gz LSCVVYKIYVWPQA-LLVKDONJSA-N 2 0 214.309 0.610 20 0 BCADRP C[C@@H](O)[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000415143272 386639632 /nfs/dbraw/zinc/63/96/32/386639632.db2.gz SMZHTHSANMEWOX-LPWJVIDDSA-N 2 0 242.363 0.456 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000366496872 386601976 /nfs/dbraw/zinc/60/19/76/386601976.db2.gz KURLBDPVAZLQPB-SRVKXCTJSA-N 2 0 239.363 0.570 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)C12CCC[NH+]1CCC2 ZINC000335487603 386602934 /nfs/dbraw/zinc/60/29/34/386602934.db2.gz QERMEGMBFZRDGO-SNVBAGLBSA-N 2 0 223.320 0.093 20 0 BCADRP CC(C)(C)[C@H](O)C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415090464 386611484 /nfs/dbraw/zinc/61/14/84/386611484.db2.gz OXOKRGSOSFFATE-PWSUYJOCSA-N 2 0 214.353 0.983 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000335520508 386659902 /nfs/dbraw/zinc/65/99/02/386659902.db2.gz FJEFBDXMHUYBQV-NWDGAFQWSA-N 2 0 241.379 0.912 20 0 BCADRP CC[NH2+]CCN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000414820100 386666299 /nfs/dbraw/zinc/66/62/99/386666299.db2.gz AGQRECWRYOKHSO-NEPJUHHUSA-N 2 0 213.369 0.916 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000062972550 386668176 /nfs/dbraw/zinc/66/81/76/386668176.db2.gz RNWQBLBLRWLBGO-UWVGGRQHSA-N 2 0 213.325 0.276 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185089200 386669304 /nfs/dbraw/zinc/66/93/04/386669304.db2.gz RMXFKBHAUMKELA-QJPTWQEYSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@H](N[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000414822155 386671226 /nfs/dbraw/zinc/67/12/26/386671226.db2.gz MRENSVCVAWEWBS-QJPTWQEYSA-N 2 0 211.353 0.716 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000357081443 386709726 /nfs/dbraw/zinc/70/97/26/386709726.db2.gz GWHNSGZFPYLPKB-RYUDHWBXSA-N 2 0 228.336 0.463 20 0 BCADRP C[C@@H]1C[C@@H](C[NH2+]CC(F)(F)CN)CC[NH2+]1 ZINC000414927023 386688304 /nfs/dbraw/zinc/68/83/04/386688304.db2.gz KQFXAOMHXMETSI-BDAKNGLRSA-N 2 0 221.295 0.558 20 0 BCADRP C[C@H]1C[C@H](C[NH2+]CC(F)(F)CN)CC[NH2+]1 ZINC000414927024 386688341 /nfs/dbraw/zinc/68/83/41/386688341.db2.gz KQFXAOMHXMETSI-DTWKUNHWSA-N 2 0 221.295 0.558 20 0 BCADRP CN(CCC[NH+]1CCCC1)[C@@H]1CCNC1=O ZINC000337279269 386697444 /nfs/dbraw/zinc/69/74/44/386697444.db2.gz UCHTXCXYGHALDH-LLVKDONJSA-N 2 0 225.336 0.293 20 0 BCADRP CN(CCC[NH+]1CCCC1)[C@H]1CCNC1=O ZINC000337279272 386699587 /nfs/dbraw/zinc/69/95/87/386699587.db2.gz UCHTXCXYGHALDH-NSHDSACASA-N 2 0 225.336 0.293 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000520579458 386701493 /nfs/dbraw/zinc/70/14/93/386701493.db2.gz WHWAZAOJVBOIDO-VXGBXAGGSA-N 2 0 227.352 0.701 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C2CCOCC2)C1 ZINC000520609891 386707158 /nfs/dbraw/zinc/70/71/58/386707158.db2.gz NJGOAEKZIOPQOX-JHJVBQTASA-N 2 0 242.363 0.633 20 0 BCADRP CC[C@]1(C(=O)NCC[N@H+](C)C2CC2)CCC[NH2+]1 ZINC000122094467 386734772 /nfs/dbraw/zinc/73/47/72/386734772.db2.gz NRFQOGPUQCOZPI-CYBMUJFWSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@]1(C[NH2+]CC[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000414837498 386736024 /nfs/dbraw/zinc/73/60/24/386736024.db2.gz KGAVLDYMIXNRPM-QWHCGFSZSA-N 3 0 225.380 0.965 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645104600 386723535 /nfs/dbraw/zinc/72/35/35/386723535.db2.gz PGJLOCFBDBAIJB-GRYCIOLGSA-N 2 0 237.347 0.339 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645104603 386724065 /nfs/dbraw/zinc/72/40/65/386724065.db2.gz PGJLOCFBDBAIJB-SDDRHHMPSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000357234009 386744742 /nfs/dbraw/zinc/74/47/42/386744742.db2.gz AFSNEXVQTZKIGB-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@@]12C[NH2+]C[C@H]1CCCC2 ZINC000357237784 386745400 /nfs/dbraw/zinc/74/54/00/386745400.db2.gz FWEIICJVLYKWSU-WZRBSPASSA-N 2 0 239.363 0.490 20 0 BCADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@H]1CCCNC1 ZINC000414842041 386748906 /nfs/dbraw/zinc/74/89/06/386748906.db2.gz OSSLPOQBMOSACT-RYUDHWBXSA-N 2 0 211.353 0.718 20 0 BCADRP C[C@@]1(C(=O)N2CCC[C@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000237484349 386750769 /nfs/dbraw/zinc/75/07/69/386750769.db2.gz IAPLDIFXULNWMV-YPMHNXCESA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)C[NH2+]CC1CC1 ZINC000357313985 386756967 /nfs/dbraw/zinc/75/69/67/386756967.db2.gz KTSHIEPQPYGSQN-GBIKHYSHSA-N 2 0 239.363 0.489 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357318500 386760240 /nfs/dbraw/zinc/76/02/40/386760240.db2.gz USAAMWCCAKNRRI-NTZNESFSSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000417800896 386762737 /nfs/dbraw/zinc/76/27/37/386762737.db2.gz TXMHPXRZOCGYFH-VWYCJHECSA-N 2 0 227.352 0.346 20 0 BCADRP C[C@@H](C(=O)N1CCCC[C@@H]1CC[NH3+])[C@H](C)[NH3+] ZINC000357363156 386769946 /nfs/dbraw/zinc/76/99/46/386769946.db2.gz OGCWJGMZGOWQLT-OUAUKWLOSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000357348658 386765413 /nfs/dbraw/zinc/76/54/13/386765413.db2.gz RFWCKDHJKZSUEW-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP O=C1NCC[C@H]1[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000269253534 386767550 /nfs/dbraw/zinc/76/75/50/386767550.db2.gz CLUQFIWGGAKRNJ-VHSXEESVSA-N 2 0 234.303 0.478 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000357222683 386742579 /nfs/dbraw/zinc/74/25/79/386742579.db2.gz HQHSUXLTGYSKNS-UWVGGRQHSA-N 2 0 229.368 0.674 20 0 BCADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H](C)C[NH3+] ZINC000417831126 386791464 /nfs/dbraw/zinc/79/14/64/386791464.db2.gz KCIWLYXVDGVVEH-GXFFZTMASA-N 2 0 249.358 0.960 20 0 BCADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H](C)C[NH3+] ZINC000417831125 386791667 /nfs/dbraw/zinc/79/16/67/386791667.db2.gz KCIWLYXVDGVVEH-GWCFXTLKSA-N 2 0 249.358 0.960 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000417833338 386792245 /nfs/dbraw/zinc/79/22/45/386792245.db2.gz JGKYREFBOGWUSX-IUCAKERBSA-N 2 0 215.341 0.603 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@@H](C)CC[NH2+]2)C1 ZINC000417813280 386780411 /nfs/dbraw/zinc/78/04/11/386780411.db2.gz PLPHLEMKTPWIGF-HBNTYKKESA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C1 ZINC000417813082 386781228 /nfs/dbraw/zinc/78/12/28/386781228.db2.gz QTMFNARCDMUJCV-RHYQMDGZSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000417803862 386781581 /nfs/dbraw/zinc/78/15/81/386781581.db2.gz FWKMIQRDSJOZQG-OPRDCNLKSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000417812582 386781669 /nfs/dbraw/zinc/78/16/69/386781669.db2.gz OSCHDGWOUNTBOM-ZJUUUORDSA-N 2 0 213.325 0.100 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417814188 386782813 /nfs/dbraw/zinc/78/28/13/386782813.db2.gz NDBIMNAXTCVFTE-NSHDSACASA-N 2 0 244.383 0.707 20 0 BCADRP C[C@H]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C[C@H]1C[NH3+] ZINC000417827138 386784194 /nfs/dbraw/zinc/78/41/94/386784194.db2.gz CVAPQGDUEUNYCU-QJPTWQEYSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1CCN(C(=O)C[NH2+]CC2CC2)C[C@@H]1C[NH3+] ZINC000417825851 386784477 /nfs/dbraw/zinc/78/44/77/386784477.db2.gz BPMSLABAKCDAEN-PWSUYJOCSA-N 2 0 239.363 0.429 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000417827552 386784842 /nfs/dbraw/zinc/78/48/42/386784842.db2.gz DIXBHSGDUPGZLB-RTXFEEFZSA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000417824524 386784909 /nfs/dbraw/zinc/78/49/09/386784909.db2.gz ABJROFFHYHKJSK-QWRGUYRKSA-N 2 0 227.352 0.413 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417805981 386787121 /nfs/dbraw/zinc/78/71/21/386787121.db2.gz IBSLZUCCPOJHFN-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NCC[NH2+]C(C)(C)C ZINC000414933310 386788404 /nfs/dbraw/zinc/78/84/04/386788404.db2.gz DPOSZPYINFRROA-MNOVXSKESA-N 2 0 213.369 0.962 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000417836380 386797546 /nfs/dbraw/zinc/79/75/46/386797546.db2.gz LSNHWFDTBNLBRX-NTZNESFSSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)(C)[NH2+]CC[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414845256 386797646 /nfs/dbraw/zinc/79/76/46/386797646.db2.gz FUEDZVDWZWQPOD-LLVKDONJSA-N 3 0 213.369 0.964 20 0 BCADRP C[C@H]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@@H]1C[NH3+] ZINC000417837318 386798021 /nfs/dbraw/zinc/79/80/21/386798021.db2.gz MDZDPBHWZUCWTH-GARJFASQSA-N 2 0 241.379 0.803 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000417845190 386798634 /nfs/dbraw/zinc/79/86/34/386798634.db2.gz XKGPZHAPRPMNGG-RHYQMDGZSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417841826 386798649 /nfs/dbraw/zinc/79/86/49/386798649.db2.gz UGZSROQCRDBSLF-JOYOIKCWSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000417843084 386799036 /nfs/dbraw/zinc/79/90/36/386799036.db2.gz QGRYNMNPOMQDKO-SCZZXKLOSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417841827 386799065 /nfs/dbraw/zinc/79/90/65/386799065.db2.gz UGZSROQCRDBSLF-SKDRFNHKSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417841733 386800729 /nfs/dbraw/zinc/80/07/29/386800729.db2.gz TWSBZSMJLRPJCZ-WPRPVWTQSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)NC(C)(C)C[NH3+])CCC[N@@H+]1C ZINC000417995311 386803116 /nfs/dbraw/zinc/80/31/16/386803116.db2.gz DCIWVOPFYACCMP-ZJUUUORDSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)NCCC[NH3+])C[N@@H+]1C1CC1 ZINC000417859696 386804988 /nfs/dbraw/zinc/80/49/88/386804988.db2.gz SKEBKSSPYCZGOR-NXEZZACHSA-N 2 0 240.351 0.260 20 0 BCADRP CN(CC[NH3+])C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000417847035 386805506 /nfs/dbraw/zinc/80/55/06/386805506.db2.gz UNXVABGGRHKUSQ-NXEZZACHSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000417847418 386805528 /nfs/dbraw/zinc/80/55/28/386805528.db2.gz UQOWEOKDLFITBD-NAKRPEOUSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000417846500 386805603 /nfs/dbraw/zinc/80/56/03/386805603.db2.gz UDKYKRCNECYJLL-WCFLWFBJSA-N 2 0 247.342 0.505 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])C[C@H]1[NH3+] ZINC000417846240 386805724 /nfs/dbraw/zinc/80/57/24/386805724.db2.gz YJXUGUOGOYRYTO-WRWGMCAJSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000417848242 386806225 /nfs/dbraw/zinc/80/62/25/386806225.db2.gz KISUAXWXEKCTFT-OUAUKWLOSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]1[C@H](NC(=O)N(C)C2C[NH2+]C2)CCC[N@@H+]1C ZINC000417997359 386806473 /nfs/dbraw/zinc/80/64/73/386806473.db2.gz FTOXZAYBIPPEPS-MWLCHTKSSA-N 2 0 240.351 0.082 20 0 BCADRP CCN(CC[NH3+])C(=O)C[N@H+](C)CC(C)(C)C ZINC000638517254 386807082 /nfs/dbraw/zinc/80/70/82/386807082.db2.gz RVPLLURUAHNWGT-UHFFFAOYSA-N 2 0 229.368 0.772 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000417850447 386807289 /nfs/dbraw/zinc/80/72/89/386807289.db2.gz XPHQHITVLCMUMU-TUAOUCFPSA-N 2 0 241.379 0.803 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000417848635 386808165 /nfs/dbraw/zinc/80/81/65/386808165.db2.gz VXQDWQKBPJOZHZ-GHMZBOCLSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000417849934 386808969 /nfs/dbraw/zinc/80/89/69/386808969.db2.gz WVQOYZMUBYLSIT-QCNOEVLYSA-N 2 0 241.379 0.803 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)CC[NH3+] ZINC000417850393 386809159 /nfs/dbraw/zinc/80/91/59/386809159.db2.gz XOIZGMHRVCOCAM-VIFPVBQESA-N 2 0 215.341 0.428 20 0 BCADRP CO[C@@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1O ZINC000395326610 386814043 /nfs/dbraw/zinc/81/40/43/386814043.db2.gz PATYSLBNMKVJJS-YNEHKIRRSA-N 2 0 242.363 0.552 20 0 BCADRP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)N(C)C)CCN1C ZINC000357725771 386833924 /nfs/dbraw/zinc/83/39/24/386833924.db2.gz CYDOHPAMKQEKQK-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP CCN(C)C(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357734075 386835826 /nfs/dbraw/zinc/83/58/26/386835826.db2.gz RAJDNCRVYUIPIW-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000165153371 386849879 /nfs/dbraw/zinc/84/98/79/386849879.db2.gz GMOYIRSGNOWZFR-GHMZBOCLSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H](C[NH+](C)C)NC(=O)NC1CC[NH+](C)CC1 ZINC000349526605 386851957 /nfs/dbraw/zinc/85/19/57/386851957.db2.gz QJDZBMLCYWXOEC-SNVBAGLBSA-N 2 0 242.367 0.330 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NCC[NH2+]C(C)(C)C ZINC000414937991 386855569 /nfs/dbraw/zinc/85/55/69/386855569.db2.gz VUBLYFMVPPLBNT-MNOVXSKESA-N 2 0 213.369 0.962 20 0 BCADRP C[NH+](C)C1(CNC(=O)C(C)(C)C[NH3+])CCCC1 ZINC000125652509 386864282 /nfs/dbraw/zinc/86/42/82/386864282.db2.gz MBSZBJXMQKFIMY-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000336744574 386867562 /nfs/dbraw/zinc/86/75/62/386867562.db2.gz QGCNOMIIBLSEFB-NXEZZACHSA-N 2 0 225.336 0.324 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000335746678 386869856 /nfs/dbraw/zinc/86/98/56/386869856.db2.gz BCMAZOAMYOTUEV-LBPRGKRZSA-N 2 0 239.363 0.635 20 0 BCADRP CC(C)[N@H+](CC[C@H]1CCC[NH2+]C1)CC(N)=O ZINC000051919288 386872377 /nfs/dbraw/zinc/87/23/77/386872377.db2.gz MWTGIGVPRXBLSR-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP CN(C(=O)[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000335748657 386873123 /nfs/dbraw/zinc/87/31/23/386873123.db2.gz JSLDDHPCFWHWFQ-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CN(C(=O)[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000335748656 386873363 /nfs/dbraw/zinc/87/33/63/386873363.db2.gz JSLDDHPCFWHWFQ-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP COc1cccc(CN(CC[NH3+])CCO)c1 ZINC000414940372 386880489 /nfs/dbraw/zinc/88/04/89/386880489.db2.gz XQZMFIPLLQLYQC-UHFFFAOYSA-N 2 0 224.304 0.448 20 0 BCADRP FC1(F)CC[NH2+]C[C@H]1NC[C@H]1CCC[NH2+]C1 ZINC000334844032 386890568 /nfs/dbraw/zinc/89/05/68/386890568.db2.gz BURSQSGVYIIHMJ-VHSXEESVSA-N 2 0 233.306 0.573 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000125904883 386918608 /nfs/dbraw/zinc/91/86/08/386918608.db2.gz BRVBVCCRVRHMHO-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000336739780 386898133 /nfs/dbraw/zinc/89/81/33/386898133.db2.gz LSAKFAQYUPCAPF-VGMNWLOBSA-N 2 0 231.365 0.015 20 0 BCADRP CC[C@H](C(=O)N1CCN(C)C[C@@H]1C)[NH+](C)C ZINC000335760905 386899058 /nfs/dbraw/zinc/89/90/58/386899058.db2.gz SWGOYPXHQUUMSQ-WDEREUQCSA-N 2 0 227.352 0.489 20 0 BCADRP C[C@H](NC[C@@H]([NH3+])C1CC1)[C@H]1CCCC[NH2+]1 ZINC000331783874 386903443 /nfs/dbraw/zinc/90/34/43/386903443.db2.gz BGXZBVRMJDLEMP-MVWJERBFSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@H](NC[C@@H]([NH3+])C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000331783875 386904358 /nfs/dbraw/zinc/90/43/58/386904358.db2.gz BGXZBVRMJDLEMP-WCQGTBRESA-N 2 0 211.353 0.844 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335763517 386904455 /nfs/dbraw/zinc/90/44/55/386904455.db2.gz MIOHQRCUTRLDRZ-YPMHNXCESA-N 2 0 239.363 0.716 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335763514 386904876 /nfs/dbraw/zinc/90/48/76/386904876.db2.gz MIOHQRCUTRLDRZ-AAEUAGOBSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000331821201 386911722 /nfs/dbraw/zinc/91/17/22/386911722.db2.gz ZGUDSWHAQZDEOW-FXPVBKGRSA-N 2 0 240.351 0.116 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000341521258 386920685 /nfs/dbraw/zinc/92/06/85/386920685.db2.gz XWIQDKFHRDAXJD-RYUDHWBXSA-N 2 0 241.379 0.642 20 0 BCADRP c1ccc2c(c1)CC[NH2+][C@H]2CN[C@H]1CC[NH2+]C1 ZINC000334818493 386947360 /nfs/dbraw/zinc/94/73/60/386947360.db2.gz JOTZQHALVRXGOP-JSGCOSHPSA-N 2 0 231.343 0.825 20 0 BCADRP CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C[C@H]2C)C1 ZINC000358271268 386925965 /nfs/dbraw/zinc/92/59/65/386925965.db2.gz XPTISAAVMXJPBZ-WXHSDQCUSA-N 2 0 239.363 0.537 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000331946093 386928361 /nfs/dbraw/zinc/92/83/61/386928361.db2.gz IBBKIMCHLSUESY-DCAQKATOSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368110376 386940972 /nfs/dbraw/zinc/94/09/72/386940972.db2.gz CENVVDUXFNYQPU-MMWGEVLESA-N 2 0 225.336 0.038 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000368112465 386942405 /nfs/dbraw/zinc/94/24/05/386942405.db2.gz LLLNKIRNHSJVIW-GRYCIOLGSA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+]C[C@@H](NC(=O)N1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000332130604 386964011 /nfs/dbraw/zinc/96/40/11/386964011.db2.gz JROLYORBWLTUFM-GHMZBOCLSA-N 2 0 240.351 0.247 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000518976299 386965413 /nfs/dbraw/zinc/96/54/13/386965413.db2.gz MEECTJZXAUUFHY-UMNHJUIQSA-N 2 0 227.352 0.761 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](COC)C1 ZINC000518990834 386975348 /nfs/dbraw/zinc/97/53/48/386975348.db2.gz SONIKZUUODTDRB-VXGBXAGGSA-N 2 0 230.352 0.315 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]([NH3+])C1CCC1 ZINC000332485102 386983343 /nfs/dbraw/zinc/98/33/43/386983343.db2.gz QLDXJAKPGBJFEF-INTQDDNPSA-N 2 0 225.336 0.371 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@H]([NH3+])[C@H]2C)CC[NH2+]C1 ZINC000368562421 386983940 /nfs/dbraw/zinc/98/39/40/386983940.db2.gz PSGUZJNSGLGXIF-SCVCMEIPSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](C[NH2+][C@@H](C)CC(N)=O)C[NH+]1CCCCC1 ZINC000341888827 386984666 /nfs/dbraw/zinc/98/46/66/386984666.db2.gz NGXAERZNAXLGEZ-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000368598092 386991490 /nfs/dbraw/zinc/99/14/90/386991490.db2.gz MKXHVJPACPOHDF-ZYHUDNBSSA-N 2 0 225.336 0.054 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368641370 386997566 /nfs/dbraw/zinc/99/75/66/386997566.db2.gz HDJQVBVJHHLQFE-XHNCKOQMSA-N 2 0 231.315 0.176 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC1CC[NH2+]CC1 ZINC000514601581 387009015 /nfs/dbraw/zinc/00/90/15/387009015.db2.gz VDENFASNCJYJQA-NXEZZACHSA-N 2 0 242.367 0.411 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368218981 386949637 /nfs/dbraw/zinc/94/96/37/386949637.db2.gz XWGDDLFKXOUSCG-QWRGUYRKSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000334930458 387006932 /nfs/dbraw/zinc/00/69/32/387006932.db2.gz MSIMXBFFBZUIPW-QWRGUYRKSA-N 2 0 240.351 0.084 20 0 BCADRP C[C@H]1NCCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000334822827 386952073 /nfs/dbraw/zinc/95/20/73/386952073.db2.gz XGSITQYDKWAAFW-PWSUYJOCSA-N 2 0 211.353 0.716 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000334953654 387030730 /nfs/dbraw/zinc/03/07/30/387030730.db2.gz SNSRZQIKVRHTDA-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)N1CCCCC1 ZINC000107579385 387032633 /nfs/dbraw/zinc/03/26/33/387032633.db2.gz GSJZOYABYAIVAB-TXEJJXNPSA-N 2 0 237.347 0.150 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]([NH3+])C1CCC1)C1CC1 ZINC000399007718 387035750 /nfs/dbraw/zinc/03/57/50/387035750.db2.gz AJERVSFEQOCCCI-LBPRGKRZSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000333463043 387037996 /nfs/dbraw/zinc/03/79/96/387037996.db2.gz GXDDRVLYHLVQBV-UMSGYPCISA-N 2 0 241.379 0.613 20 0 BCADRP CN(CC[NH3+])C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000334960109 387039504 /nfs/dbraw/zinc/03/95/04/387039504.db2.gz FCRGDWWNNHOLHT-KOLCDFICSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000334960176 387039694 /nfs/dbraw/zinc/03/96/94/387039694.db2.gz GEHRTVHLZZGNRY-YPMHNXCESA-N 2 0 247.342 0.897 20 0 BCADRP CN(CC[NH3+])C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000334960088 387039932 /nfs/dbraw/zinc/03/99/32/387039932.db2.gz FCRGDWWNNHOLHT-GXSJLCMTSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@@H]([NH3+])CC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000648106633 387040398 /nfs/dbraw/zinc/04/03/98/387040398.db2.gz HRFMNGMWOJBGBG-MRVPVSSYSA-N 2 0 234.303 0.403 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399021488 387041770 /nfs/dbraw/zinc/04/17/70/387041770.db2.gz HODNJMFAVLGVDN-SNVBAGLBSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]C[C@H](NC(=O)N1CC[C@H]([NH3+])C1)C1CCCC1 ZINC000334962157 387043041 /nfs/dbraw/zinc/04/30/41/387043041.db2.gz REBQJUFTSKSBHE-QWRGUYRKSA-N 2 0 240.351 0.247 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000070074148 387043718 /nfs/dbraw/zinc/04/37/18/387043718.db2.gz OBBDDPNLCFBSST-ZDUSSCGKSA-N 2 0 241.379 0.379 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000334964678 387044872 /nfs/dbraw/zinc/04/48/72/387044872.db2.gz AHSPFDNLNHNWJR-MNOVXSKESA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000333600301 387045737 /nfs/dbraw/zinc/04/57/37/387045737.db2.gz QHPPHXHZVMXITO-QJPTWQEYSA-N 3 0 211.353 0.846 20 0 BCADRP C[C@H]1C(=O)NCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000334966028 387047139 /nfs/dbraw/zinc/04/71/39/387047139.db2.gz DSLIGZNQKVIETM-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333646541 387047655 /nfs/dbraw/zinc/04/76/55/387047655.db2.gz JCMRPHNPGOVSCQ-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000648107812 387049111 /nfs/dbraw/zinc/04/91/11/387049111.db2.gz ROIZAVOMPLMWFN-NXEZZACHSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000648107798 387050185 /nfs/dbraw/zinc/05/01/85/387050185.db2.gz PSEYPGBKYJDIRI-NXEZZACHSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@@H](CNC(=O)N1CC[NH2+]C(C)(C)C1)[NH+](C)C ZINC000334968485 387050835 /nfs/dbraw/zinc/05/08/35/387050835.db2.gz PWSICDWXFGQXFT-JTQLQIEISA-N 2 0 242.367 0.330 20 0 BCADRP [NH3+]C[C@@H]1CCCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333735772 387052602 /nfs/dbraw/zinc/05/26/02/387052602.db2.gz WXBPOBXEGXRJBB-MNOVXSKESA-N 2 0 240.351 0.261 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333746506 387053640 /nfs/dbraw/zinc/05/36/40/387053640.db2.gz YJHJYCOYAFAQCT-GHMZBOCLSA-N 2 0 240.351 0.261 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000334970892 387055403 /nfs/dbraw/zinc/05/54/03/387055403.db2.gz JNSHOJOFLVUKLK-SNVBAGLBSA-N 2 0 239.363 0.762 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000399079625 387055873 /nfs/dbraw/zinc/05/58/73/387055873.db2.gz RGBJSPIUJZSCNR-VXGBXAGGSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000648108429 387057459 /nfs/dbraw/zinc/05/74/59/387057459.db2.gz UKXZVNSUMOXMQQ-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000333827322 387057738 /nfs/dbraw/zinc/05/77/38/387057738.db2.gz LWMPSLXPJIEOOH-QWRGUYRKSA-N 2 0 240.351 0.132 20 0 BCADRP CC1=CC[N@H+](CCNC(=O)NCCC[NH3+])CC1 ZINC000418036594 387063576 /nfs/dbraw/zinc/06/35/76/387063576.db2.gz YVDYPFMAUKGIRJ-UHFFFAOYSA-N 2 0 240.351 0.286 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C[C@@H]21 ZINC000648108889 387065162 /nfs/dbraw/zinc/06/51/62/387065162.db2.gz APBPYKMLZNJCRY-ASHHDVGLSA-N 2 0 249.358 0.038 20 0 BCADRP C[C@@H](CN1CCOCC1)[NH2+]CC1([NH3+])CCC1 ZINC000519156690 387020225 /nfs/dbraw/zinc/02/02/25/387020225.db2.gz DZEWFBYEHNPNLU-NSHDSACASA-N 2 0 227.352 0.178 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000070316060 387066008 /nfs/dbraw/zinc/06/60/08/387066008.db2.gz YFWHQBORIHQALT-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000334943943 387021711 /nfs/dbraw/zinc/02/17/11/387021711.db2.gz KZUNOIBTWXULMB-VHSXEESVSA-N 2 0 225.336 0.324 20 0 BCADRP CC[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000053298560 387022171 /nfs/dbraw/zinc/02/21/71/387022171.db2.gz LPSMTSLIDDNNDR-UHFFFAOYSA-N 2 0 225.336 0.293 20 0 BCADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(C)(C)C ZINC000053299193 387022896 /nfs/dbraw/zinc/02/28/96/387022896.db2.gz KTODAHDNVYIWQH-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648105654 387025175 /nfs/dbraw/zinc/02/51/75/387025175.db2.gz PAUZPEHVNUMZHC-WISYIIOYSA-N 2 0 239.363 0.522 20 0 BCADRP O=C(NCC1C[NH2+]C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000648105887 387029804 /nfs/dbraw/zinc/02/98/04/387029804.db2.gz DNNVAUUKZYKXGU-SRVKXCTJSA-N 2 0 237.347 0.243 20 0 BCADRP CN(C)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000334982170 387070671 /nfs/dbraw/zinc/07/06/71/387070671.db2.gz YVQHNBHDASUHBK-RYUDHWBXSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@@H](CO)C[N@@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000639766766 387072015 /nfs/dbraw/zinc/07/20/15/387072015.db2.gz OROGFPDSAAVXBO-VXGBXAGGSA-N 2 0 230.352 0.003 20 0 BCADRP [NH3+][C@@H]1C[C@@H](NC[C@H]2C[NH2+]CCO2)c2ccccc21 ZINC000333890626 387072275 /nfs/dbraw/zinc/07/22/75/387072275.db2.gz YDBNKPLEJUWKTN-LERXQTSPSA-N 2 0 247.342 0.709 20 0 BCADRP [NH3+][C@@H]1C[C@@H](NC[C@@H]2C[NH2+]CCO2)c2ccccc21 ZINC000333890627 387072777 /nfs/dbraw/zinc/07/27/77/387072777.db2.gz YDBNKPLEJUWKTN-ZLKJLUDKSA-N 2 0 247.342 0.709 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000369885322 387074745 /nfs/dbraw/zinc/07/47/45/387074745.db2.gz XUFSAZXUUASIKG-LPEHRKFASA-N 2 0 231.315 0.143 20 0 BCADRP C[C@@H](C(=O)N(C)C)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334995257 387085691 /nfs/dbraw/zinc/08/56/91/387085691.db2.gz YNWKQWJRBKSSLJ-AAEUAGOBSA-N 2 0 239.363 0.539 20 0 BCADRP CC[N@H+](CCNC(=O)N[C@H](C)[C@@H](C)[NH3+])C1CC1 ZINC000417427476 387091045 /nfs/dbraw/zinc/09/10/45/387091045.db2.gz JCUVMXKRIYZZJO-NXEZZACHSA-N 2 0 242.367 0.506 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCC[N@H+](CC)C1CC1 ZINC000417427894 387100374 /nfs/dbraw/zinc/10/03/74/387100374.db2.gz JWHYFCHNVGAVDC-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000071378477 387101769 /nfs/dbraw/zinc/10/17/69/387101769.db2.gz PFJSVJWMXCLJFZ-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP CO[C@]1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCOC1 ZINC000228662176 387105433 /nfs/dbraw/zinc/10/54/33/387105433.db2.gz NQTRJQNIMDKNRJ-AVGNSLFASA-N 2 0 242.363 0.864 20 0 BCADRP CC[C@@H](C(=O)NCCC[NH+]1CCCC1)[NH+](C)C ZINC000359461274 387106101 /nfs/dbraw/zinc/10/61/01/387106101.db2.gz UIJOVKYNMYYUIT-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP COC[C@@H](CC(C)C)[NH2+]CC1C[NH2+]C1 ZINC000423300080 387131994 /nfs/dbraw/zinc/13/19/94/387131994.db2.gz DETYUNZLLICGLL-LLVKDONJSA-N 2 0 200.326 0.857 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)NC(C)(C)CC[NH3+])C1 ZINC000643437408 387122155 /nfs/dbraw/zinc/12/21/55/387122155.db2.gz UBBFFAAWYQNHLJ-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C[NH+](C)C ZINC000359582819 387127819 /nfs/dbraw/zinc/12/78/19/387127819.db2.gz OSPLMFDTJHNWHI-SECBINFHSA-N 2 0 201.314 0.004 20 0 BCADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000423308850 387142792 /nfs/dbraw/zinc/14/27/92/387142792.db2.gz OZOXJWDRTAPIBA-KOLCDFICSA-N 2 0 222.336 0.982 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000353180739 387150505 /nfs/dbraw/zinc/15/05/05/387150505.db2.gz DNPFUGURMAVYSR-IJLUTSLNSA-N 2 0 239.363 0.441 20 0 BCADRP COC[C@H](CO)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000229100301 387151323 /nfs/dbraw/zinc/15/13/23/387151323.db2.gz XHSSRLCCOWHJJI-AVGNSLFASA-N 2 0 244.379 0.894 20 0 BCADRP [NH3+]CC1(CC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000423312687 387151496 /nfs/dbraw/zinc/15/14/96/387151496.db2.gz SPQJSJZYFKSCDP-UHFFFAOYSA-N 2 0 239.363 0.718 20 0 BCADRP COCC[NH2+]CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000423314143 387154750 /nfs/dbraw/zinc/15/47/50/387154750.db2.gz GRSAELUKEUIUJG-FRRDWIJNSA-N 2 0 243.395 0.541 20 0 BCADRP O=C(NCC[NH+]1CCCCC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423314514 387155319 /nfs/dbraw/zinc/15/53/19/387155319.db2.gz VZZVPLBKHOKFET-YPMHNXCESA-N 2 0 237.347 0.341 20 0 BCADRP COCC[NH2+]CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423318427 387159329 /nfs/dbraw/zinc/15/93/29/387159329.db2.gz BRIKISMFKRNXDO-VXGBXAGGSA-N 2 0 229.368 0.472 20 0 BCADRP COCC[NH2+]CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423318426 387160266 /nfs/dbraw/zinc/16/02/66/387160266.db2.gz BRIKISMFKRNXDO-RYUDHWBXSA-N 2 0 229.368 0.472 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000571761075 387163272 /nfs/dbraw/zinc/16/32/72/387163272.db2.gz FFWQBSSGVOKYTH-JQWIXIFHSA-N 2 0 247.342 0.955 20 0 BCADRP CC[N@@H+]1C[C@@H](C)[C@@H](NCC2([NH3+])CCC2)C1 ZINC000423343141 387193139 /nfs/dbraw/zinc/19/31/39/387193139.db2.gz ZGGVVLOOXYHLQN-MNOVXSKESA-N 2 0 211.353 0.798 20 0 BCADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423322687 387165561 /nfs/dbraw/zinc/16/55/61/387165561.db2.gz OEZNSDXALAFXQE-PWSUYJOCSA-N 2 0 241.379 0.960 20 0 BCADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423322686 387166018 /nfs/dbraw/zinc/16/60/18/387166018.db2.gz OEZNSDXALAFXQE-JQWIXIFHSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000423323554 387166812 /nfs/dbraw/zinc/16/68/12/387166812.db2.gz ICTIZRKGGQDHIS-FRRDWIJNSA-N 2 0 225.380 0.916 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000423324478 387166999 /nfs/dbraw/zinc/16/69/99/387166999.db2.gz PMWUIAFGEDQCLJ-UHFFFAOYSA-N 2 0 239.363 0.668 20 0 BCADRP CC(C)(CO)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000168603919 387168672 /nfs/dbraw/zinc/16/86/72/387168672.db2.gz MPLMZYULSWCRKR-NXEZZACHSA-N 2 0 200.326 0.722 20 0 BCADRP CC(C)(CO)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000168604015 387168727 /nfs/dbraw/zinc/16/87/27/387168727.db2.gz MPLMZYULSWCRKR-ZJUUUORDSA-N 2 0 200.326 0.722 20 0 BCADRP CN(CC[NH3+])C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000571777514 387169925 /nfs/dbraw/zinc/16/99/25/387169925.db2.gz SBDIWUKAXSTQSZ-GFCCVEGCSA-N 2 0 233.315 0.291 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H]([NH3+])C2CC2)C1 ZINC000423327481 387169930 /nfs/dbraw/zinc/16/99/30/387169930.db2.gz RQMYRDWBKZLCRY-ZMLRMANQSA-N 2 0 211.353 0.654 20 0 BCADRP COC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)C(C)C ZINC000423330845 387175246 /nfs/dbraw/zinc/17/52/46/387175246.db2.gz UHJMHMIQMJZRDH-QWRGUYRKSA-N 2 0 200.326 0.984 20 0 BCADRP CC[C@@]1(C(=O)NC2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000062890453 387176773 /nfs/dbraw/zinc/17/67/73/387176773.db2.gz QMBWQLFNAQTNCG-CYBMUJFWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCCC[NH3+] ZINC000423333036 387177288 /nfs/dbraw/zinc/17/72/88/387177288.db2.gz NTPUJCPJCZFXHC-PWSUYJOCSA-N 2 0 211.353 0.798 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371232241 387177558 /nfs/dbraw/zinc/17/75/58/387177558.db2.gz RJCCOINWTYFPAV-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@]1(C(=O)NCC(C)(C)[NH+](C)C)CC[NH2+]C1 ZINC000062899406 387180014 /nfs/dbraw/zinc/18/00/14/387180014.db2.gz SAZVJPQBRYDYGT-ZDUSSCGKSA-N 2 0 241.379 0.833 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@]1(CC)CC[NH2+]C1 ZINC000062904268 387180157 /nfs/dbraw/zinc/18/01/57/387180157.db2.gz KDXYLTGZXGGHFV-GFCCVEGCSA-N 2 0 227.352 0.444 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000371261914 387184471 /nfs/dbraw/zinc/18/44/71/387184471.db2.gz FNTMVNVSWPHLPU-TUAOUCFPSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000371261761 387184632 /nfs/dbraw/zinc/18/46/32/387184632.db2.gz CRMCSGUUJVWIQA-AXFHLTTASA-N 2 0 225.336 0.419 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062967600 387186965 /nfs/dbraw/zinc/18/69/65/387186965.db2.gz ZGAVTPNDNWNHBA-WDEREUQCSA-N 2 0 227.352 0.380 20 0 BCADRP COCC[NH2+]CCN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423339246 387188608 /nfs/dbraw/zinc/18/86/08/387188608.db2.gz SESUAPDNPKRHAD-RYUDHWBXSA-N 2 0 241.379 0.437 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000418179292 387190746 /nfs/dbraw/zinc/19/07/46/387190746.db2.gz ACUQGHRHRHDFKN-ZJUUUORDSA-N 2 0 230.356 0.234 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)NC2CC[NH2+]CC2)cc1 ZINC000336421293 387252552 /nfs/dbraw/zinc/25/25/52/387252552.db2.gz POFCCJJVEAPXNK-ZDUSSCGKSA-N 2 0 247.342 0.863 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000423355118 387205280 /nfs/dbraw/zinc/20/52/80/387205280.db2.gz OOPDGMDKBPEBGD-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000353467055 387206546 /nfs/dbraw/zinc/20/65/46/387206546.db2.gz KOKZDDSFOOPORX-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP COC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)OC ZINC000300418263 387209663 /nfs/dbraw/zinc/20/96/63/387209663.db2.gz LWSFPRUUYGJDQF-AGIUHOORSA-N 2 0 242.363 0.864 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)C[NH3+] ZINC000418200739 387211416 /nfs/dbraw/zinc/21/14/16/387211416.db2.gz QKMXAMRCGRLFLO-MNOVXSKESA-N 2 0 244.383 0.753 20 0 BCADRP CN(C(=O)[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]CC1 ZINC000648119249 387212184 /nfs/dbraw/zinc/21/21/84/387212184.db2.gz IONHJIURDLJTIW-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP CN(C(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]CC1 ZINC000648119248 387212454 /nfs/dbraw/zinc/21/24/54/387212454.db2.gz IONHJIURDLJTIW-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP CC[C@H]([NH3+])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000371441873 387214009 /nfs/dbraw/zinc/21/40/09/387214009.db2.gz DQDYIIQQAWFBRV-JTQLQIEISA-N 2 0 234.303 0.403 20 0 BCADRP C[NH2+]CCNC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000418194331 387214736 /nfs/dbraw/zinc/21/47/36/387214736.db2.gz DJTQLWRRKOANMT-JTQLQIEISA-N 2 0 230.356 0.234 20 0 BCADRP C[N@H+](CCn1ccnc1)CC1(O)CCC1 ZINC000353493667 387215547 /nfs/dbraw/zinc/21/55/47/387215547.db2.gz XNDVHJVYIIQFJG-UHFFFAOYSA-N 2 0 209.293 0.730 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC([NH3+])CC2)cc1 ZINC000336421303 387252872 /nfs/dbraw/zinc/25/28/72/387252872.db2.gz RXWIWSDQKDTZPD-ZDUSSCGKSA-N 2 0 247.342 0.945 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000353503553 387218387 /nfs/dbraw/zinc/21/83/87/387218387.db2.gz BVNPOAZCHOSTBO-RHYQMDGZSA-N 2 0 239.363 0.569 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)[C@@H](C[NH3+])OC ZINC000353506841 387219044 /nfs/dbraw/zinc/21/90/44/387219044.db2.gz DWVMBVZVAUWNQD-LLVKDONJSA-N 2 0 245.367 0.198 20 0 BCADRP COC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353520989 387221276 /nfs/dbraw/zinc/22/12/76/387221276.db2.gz QPEUVYMFDYCPGN-YVECIDJPSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000418210676 387222404 /nfs/dbraw/zinc/22/24/04/387222404.db2.gz SSAYOTJFDODDCP-OUAUKWLOSA-N 2 0 242.367 0.328 20 0 BCADRP C[C@@H](N[C@@H]1C[NH2+]CC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423370051 387222756 /nfs/dbraw/zinc/22/27/56/387222756.db2.gz UBBVCYISOKFXLQ-WISYIIOYSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000572035709 387223274 /nfs/dbraw/zinc/22/32/74/387223274.db2.gz KLRXIQAFFHMENL-ZJUUUORDSA-N 2 0 225.336 0.087 20 0 BCADRP C[C@H](N[C@H]1C[NH2+]CC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423370049 387223809 /nfs/dbraw/zinc/22/38/09/387223809.db2.gz UBBVCYISOKFXLQ-RHYQMDGZSA-N 2 0 211.353 0.715 20 0 BCADRP C[NH2+]CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000193136516 387226523 /nfs/dbraw/zinc/22/65/23/387226523.db2.gz HLQNOUGVZNONBS-UHFFFAOYSA-N 2 0 227.352 0.442 20 0 BCADRP COCCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000423396768 387231310 /nfs/dbraw/zinc/23/13/10/387231310.db2.gz SMOBSJZLWHDPHX-UPJWGTAASA-N 2 0 241.379 0.567 20 0 BCADRP C[C@@H](CNC(=O)NCCC[NH2+]C1CC1)[NH+](C)C ZINC000418249936 387234230 /nfs/dbraw/zinc/23/42/30/387234230.db2.gz GOMRBQLKRSHTDF-JTQLQIEISA-N 2 0 242.367 0.378 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)CC1(C[NH3+])CC1 ZINC000423399200 387235501 /nfs/dbraw/zinc/23/55/01/387235501.db2.gz UVDCSZAYOIGGDX-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)NCC[NH2+]C1CC1 ZINC000643438928 387240146 /nfs/dbraw/zinc/24/01/46/387240146.db2.gz MZYYZDDWOJYQGF-UHFFFAOYSA-N 2 0 228.340 0.165 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423430386 387241725 /nfs/dbraw/zinc/24/17/25/387241725.db2.gz UJWRWNSLCMKCAB-IJLUTSLNSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423406594 387243811 /nfs/dbraw/zinc/24/38/11/387243811.db2.gz UWSRNFDRNCLUCI-NOOOWODRSA-N 2 0 211.353 0.524 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)C[N@@H+]1C1CC1 ZINC000423419716 387248871 /nfs/dbraw/zinc/24/88/71/387248871.db2.gz AMHVNOFOUKLEGO-OXIWPEFWSA-N 2 0 249.358 0.480 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CCC([NH2+]C)CC1 ZINC000572155581 387250287 /nfs/dbraw/zinc/25/02/87/387250287.db2.gz MJCIKRQJSQDCFZ-GFCCVEGCSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)CC1 ZINC000572155573 387251073 /nfs/dbraw/zinc/25/10/73/387251073.db2.gz MBKSFLCRQTUXHM-NXEZZACHSA-N 2 0 239.363 0.713 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)CC1(C[NH3+])CC1 ZINC000423345708 387194624 /nfs/dbraw/zinc/19/46/24/387194624.db2.gz GDDJYOULSKCCQO-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP CO[C@H](C[NH3+])C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000353423832 387198549 /nfs/dbraw/zinc/19/85/49/387198549.db2.gz DQQFZMQWZUBZRP-VHSXEESVSA-N 2 0 245.367 0.053 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])C1CCC1)C1CC1 ZINC000423349205 387199771 /nfs/dbraw/zinc/19/97/71/387199771.db2.gz WCHBVIBMBZWDKL-NWDGAFQWSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](CC1CC1)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000643500153 387313670 /nfs/dbraw/zinc/31/36/70/387313670.db2.gz FNSMEIZRJQWWNE-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H](O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000194950242 387254144 /nfs/dbraw/zinc/25/41/44/387254144.db2.gz SPLBMKMBEFRMAD-GFCCVEGCSA-N 2 0 243.395 0.325 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423374838 387255090 /nfs/dbraw/zinc/25/50/90/387255090.db2.gz TZJPVGXUNAJLLP-KKOKHZNYSA-N 2 0 211.353 0.844 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423377566 387259461 /nfs/dbraw/zinc/25/94/61/387259461.db2.gz YZHOHFGNCYJXIX-MROQNXINSA-N 2 0 225.380 0.914 20 0 BCADRP CC[NH2+][C@H](C)CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000423382342 387264633 /nfs/dbraw/zinc/26/46/33/387264633.db2.gz OJSIRGXFHRMHIG-QJPTWQEYSA-N 2 0 213.369 0.914 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000645685055 387267622 /nfs/dbraw/zinc/26/76/22/387267622.db2.gz RUSJVBFHOKLBDW-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423432599 387284673 /nfs/dbraw/zinc/28/46/73/387284673.db2.gz OPQVHAYGUCXCCW-QPPBUOOMSA-N 2 0 249.358 0.337 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423435037 387286417 /nfs/dbraw/zinc/28/64/17/387286417.db2.gz OLJANQUZSCCDLX-CABNGKKXSA-N 2 0 237.391 0.962 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H](C)C[NH3+] ZINC000514938034 387318108 /nfs/dbraw/zinc/31/81/08/387318108.db2.gz VHJMFCSNVGJTRJ-KOLCDFICSA-N 2 0 221.304 0.458 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000360496614 387298636 /nfs/dbraw/zinc/29/86/36/387298636.db2.gz UJINEAKXUKOVTB-SNVBAGLBSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H](NC(=O)C1(C)C[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000423452202 387300493 /nfs/dbraw/zinc/30/04/93/387300493.db2.gz YUZOLYYAAGAWII-JTQLQIEISA-N 2 0 241.379 0.688 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000514865434 387301822 /nfs/dbraw/zinc/30/18/22/387301822.db2.gz UWKANUWXIDWLQF-GRYCIOLGSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000423452851 387302081 /nfs/dbraw/zinc/30/20/81/387302081.db2.gz KDPBQNXAUXYCBQ-VIFPVBQESA-N 2 0 232.287 0.659 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000514940365 387318667 /nfs/dbraw/zinc/31/86/67/387318667.db2.gz SFDJSKCREATJPW-ZYHUDNBSSA-N 2 0 227.352 0.620 20 0 BCADRP CC[N@H+]1C[C@H](NC[C@@H]2C[NH2+]CCCO2)[C@@H](C)C1 ZINC000423530284 387358290 /nfs/dbraw/zinc/35/82/90/387358290.db2.gz YTHMCPWGTZDFCU-AVGNSLFASA-N 2 0 241.379 0.295 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@@H]1C[NH2+]CCO1 ZINC000423530852 387358804 /nfs/dbraw/zinc/35/88/04/387358804.db2.gz XJICVMBAUYHZIN-KGYLQXTDSA-N 2 0 239.363 0.047 20 0 BCADRP C[C@@H]1C[C@H](NC[C@H]2C[NH2+]CCO2)C[N@@H+]1C1CC1 ZINC000423532487 387358851 /nfs/dbraw/zinc/35/88/51/387358851.db2.gz ZQOVTZZZCJROAD-NTZNESFSSA-N 2 0 239.363 0.190 20 0 BCADRP C[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC000423529721 387359039 /nfs/dbraw/zinc/35/90/39/387359039.db2.gz XWFAQWHHSNBQQL-UHFFFAOYSA-N 2 0 225.336 0.293 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000643502430 387365879 /nfs/dbraw/zinc/36/58/79/387365879.db2.gz GBXAAVOYKAAIAV-SDDRHHMPSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@@H](NC[C@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000643502938 387366511 /nfs/dbraw/zinc/36/65/11/387366511.db2.gz VSRFKKGQDIFQNT-IJLUTSLNSA-N 2 0 211.353 0.859 20 0 BCADRP CCC[C@@H](C(=O)NCC1=CC[NH2+]CC1)[NH+](C)C ZINC000423544312 387367602 /nfs/dbraw/zinc/36/76/02/387367602.db2.gz IOGQEXLKSPVECA-LBPRGKRZSA-N 2 0 239.363 0.753 20 0 BCADRP C[NH2+]CCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000515350897 387371648 /nfs/dbraw/zinc/37/16/48/387371648.db2.gz JJCMVYCXSPJGRC-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000515384687 387372653 /nfs/dbraw/zinc/37/26/53/387372653.db2.gz UFKSMQILXPLYPP-DTWKUNHWSA-N 2 0 215.341 0.603 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000515383173 387373966 /nfs/dbraw/zinc/37/39/66/387373966.db2.gz VAPCBSJTHDGEPX-BDAKNGLRSA-N 2 0 201.314 0.226 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000648123240 387378751 /nfs/dbraw/zinc/37/87/51/387378751.db2.gz PHOMTZUGCMITPZ-SKDRFNHKSA-N 2 0 246.314 0.318 20 0 BCADRP C[C@H](NC(=O)CC[NH2+]C1CC1)[C@H]1CCC[NH2+]C1 ZINC000515433698 387378815 /nfs/dbraw/zinc/37/88/15/387378815.db2.gz YIQNAJMKECQSKB-QWRGUYRKSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[NH2+]1 ZINC000423473886 387319330 /nfs/dbraw/zinc/31/93/30/387319330.db2.gz GYIYMBHUGIFJHO-IVZWLZJFSA-N 2 0 233.306 0.714 20 0 BCADRP C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[NH2+]1 ZINC000423473889 387319897 /nfs/dbraw/zinc/31/98/97/387319897.db2.gz GYIYMBHUGIFJHO-OPRDCNLKSA-N 2 0 233.306 0.714 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000418391416 387323168 /nfs/dbraw/zinc/32/31/68/387323168.db2.gz VLOIEXYOGSXWFT-ZJUUUORDSA-N 2 0 228.340 0.021 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000372775964 387324220 /nfs/dbraw/zinc/32/42/20/387324220.db2.gz KIVZPSAROWJEEN-DMDPSCGWSA-N 2 0 239.363 0.844 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000372775969 387325094 /nfs/dbraw/zinc/32/50/94/387325094.db2.gz KIVZPSAROWJEEN-LOWVWBTDSA-N 2 0 239.363 0.844 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[C@H](C)[NH3+] ZINC000423476832 387324995 /nfs/dbraw/zinc/32/49/95/387324995.db2.gz SPXDPXFYGQPSKU-BJDJZHNGSA-N 2 0 241.379 0.802 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000423483935 387329830 /nfs/dbraw/zinc/32/98/30/387329830.db2.gz QKBRMYKUCWYJJP-AEJSXWLSSA-N 2 0 233.306 0.701 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000390513740 387331858 /nfs/dbraw/zinc/33/18/58/387331858.db2.gz CKVPWOZWQXLYAR-KATARQTJSA-N 2 0 213.325 0.308 20 0 BCADRP C[C@H](NC[C@H]1C[NH2+]CCCO1)[C@H]1CCCC[NH2+]1 ZINC000423494651 387338588 /nfs/dbraw/zinc/33/85/88/387338588.db2.gz SMUZLIZSLCUSPQ-YNEHKIRRSA-N 2 0 241.379 0.485 20 0 BCADRP CC(C)[C@H](C(=O)NCC1([NH3+])CCC1)[C@@H](C)[NH3+] ZINC000423502527 387341957 /nfs/dbraw/zinc/34/19/57/387341957.db2.gz CTWPRDWIGJHJHG-ZJUUUORDSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)[NH2+]CCCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000572354559 387342934 /nfs/dbraw/zinc/34/29/34/387342934.db2.gz DJNBGLWCVBSCGB-RYUDHWBXSA-N 2 0 213.369 0.962 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000423785382 387424130 /nfs/dbraw/zinc/42/41/30/387424130.db2.gz SYQKALCHCSYHLB-SDDRHHMPSA-N 2 0 241.379 0.912 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000423785381 387424459 /nfs/dbraw/zinc/42/44/59/387424459.db2.gz SYQKALCHCSYHLB-GRYCIOLGSA-N 2 0 241.379 0.912 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000423785384 387424686 /nfs/dbraw/zinc/42/46/86/387424686.db2.gz SYQKALCHCSYHLB-WOPDTQHZSA-N 2 0 241.379 0.912 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)[NH3+] ZINC000423781833 387424777 /nfs/dbraw/zinc/42/47/77/387424777.db2.gz YAOOWUXBSAKJRY-QWRGUYRKSA-N 2 0 229.368 0.960 20 0 BCADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[NH2+]C ZINC000423781835 387424876 /nfs/dbraw/zinc/42/48/76/387424876.db2.gz YAVXCWFQFABDLM-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CC[C@@H](C)[NH3+] ZINC000423779057 387424897 /nfs/dbraw/zinc/42/48/97/387424897.db2.gz UMHGEYGTBPUVBB-NEPJUHHUSA-N 2 0 241.379 0.912 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000423790442 387427519 /nfs/dbraw/zinc/42/75/19/387427519.db2.gz GLESUTAXXTTZST-WDEREUQCSA-N 2 0 245.342 0.487 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000423820614 387431319 /nfs/dbraw/zinc/43/13/19/387431319.db2.gz PXKVFNIRGXBKEZ-QWRGUYRKSA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000423825095 387432235 /nfs/dbraw/zinc/43/22/35/387432235.db2.gz WYJHSIPILHLBRS-NWDGAFQWSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+][C@H](C)Cc1noc(-c2coc(C[NH3+])c2)n1 ZINC000515843299 387432926 /nfs/dbraw/zinc/43/29/26/387432926.db2.gz ZAMSWHARCZDVIA-SSDOTTSWSA-N 2 0 236.275 0.939 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CC[NH2+]C1 ZINC000423849046 387434688 /nfs/dbraw/zinc/43/46/88/387434688.db2.gz PBEQJMFFVACTCY-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP CN(CC[NH+](C)C)C(=O)C12CCC[NH+]1CCC2 ZINC000354906178 387447841 /nfs/dbraw/zinc/44/78/41/387447841.db2.gz DYFXKAVZJIOQKS-UHFFFAOYSA-N 2 0 239.363 0.635 20 0 BCADRP C[NH+](CCC[N@@H+](C)CC(C)(C)O)CC(C)(C)O ZINC000304288713 387458367 /nfs/dbraw/zinc/45/83/67/387458367.db2.gz LNNPDAIYXOIHNL-UHFFFAOYSA-N 2 0 246.395 0.782 20 0 BCADRP C[C@@H]1CN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)C[C@@H]1[NH3+] ZINC000423953952 387458393 /nfs/dbraw/zinc/45/83/93/387458393.db2.gz BOTMFMDABYTRBP-KKOKHZNYSA-N 2 0 239.363 0.665 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000423615190 387387910 /nfs/dbraw/zinc/38/79/10/387387910.db2.gz YCUBPABVMKVLJI-OUAUKWLOSA-N 2 0 229.368 0.720 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC000423627473 387389349 /nfs/dbraw/zinc/38/93/49/387389349.db2.gz IGMRUAWTZVGMQU-SNVBAGLBSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000423626573 387389430 /nfs/dbraw/zinc/38/94/30/387389430.db2.gz HKENPBBFXKRJCW-KXUCPTDWSA-N 2 0 215.341 0.330 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000423626571 387389668 /nfs/dbraw/zinc/38/96/68/387389668.db2.gz HKENPBBFXKRJCW-BBBLOLIVSA-N 2 0 215.341 0.330 20 0 BCADRP C[NH+](C)CC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000423653626 387390959 /nfs/dbraw/zinc/39/09/59/387390959.db2.gz PHMWUUAIBKEPGV-UHFFFAOYSA-N 2 0 249.358 0.578 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)[C@@H](C)[NH3+] ZINC000423639743 387391503 /nfs/dbraw/zinc/39/15/03/387391503.db2.gz FSMBXLJGOFGLAK-RCWTZXSCSA-N 2 0 227.352 0.554 20 0 BCADRP CC1(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C[NH2+]C1 ZINC000423667608 387393651 /nfs/dbraw/zinc/39/36/51/387393651.db2.gz USJYSMFTUMDZLH-XYPYZODXSA-N 2 0 239.363 0.477 20 0 BCADRP CCC[C@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[NH+](C)C ZINC000423665948 387394149 /nfs/dbraw/zinc/39/41/49/387394149.db2.gz KTMNCPCVLYEFIQ-YTWAJWBKSA-N 2 0 225.336 0.051 20 0 BCADRP CCC[C@@H](C(=O)N[C@@H](C)CCC[NH3+])[NH+](C)C ZINC000423678518 387395841 /nfs/dbraw/zinc/39/58/41/387395841.db2.gz JCIPCXWCUUVARL-QWRGUYRKSA-N 2 0 229.368 0.960 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C12CCC[NH+]1CCC2 ZINC000423687060 387398697 /nfs/dbraw/zinc/39/86/97/387398697.db2.gz VEZVLCACVDWHQJ-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423974322 387460437 /nfs/dbraw/zinc/46/04/37/387460437.db2.gz HVPIYAIALRDWDK-DGCLKSJQSA-N 2 0 241.379 0.772 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000373890296 387401516 /nfs/dbraw/zinc/40/15/16/387401516.db2.gz DGPMESYHDJSXHO-SDDRHHMPSA-N 2 0 239.363 0.775 20 0 BCADRP [NH3+]C[C@@H](NC(=O)CC1(C[NH3+])CC1)C1CCCC1 ZINC000423970235 387460530 /nfs/dbraw/zinc/46/05/30/387460530.db2.gz WRVDELHTVMYBLI-LLVKDONJSA-N 2 0 239.363 0.749 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000423970273 387460552 /nfs/dbraw/zinc/46/05/52/387460552.db2.gz FUYPFUVODRWKQA-VHSXEESVSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000423721375 387403183 /nfs/dbraw/zinc/40/31/83/387403183.db2.gz BRKSNUSDJQNAEQ-GRYCIOLGSA-N 2 0 239.363 0.809 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@H](C)[C@H]([NH3+])C1)[NH+](C)C ZINC000423971788 387460698 /nfs/dbraw/zinc/46/06/98/387460698.db2.gz HKBNZTWGCVWLFK-AXFHLTTASA-N 2 0 227.352 0.378 20 0 BCADRP COCCN(CC[NH+](C)C)C(=O)CC[C@H](C)[NH3+] ZINC000423748443 387408450 /nfs/dbraw/zinc/40/84/50/387408450.db2.gz ULCQMCXHBNFNOE-NSHDSACASA-N 2 0 245.367 0.150 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)CC1(C[NH3+])CC1 ZINC000423749936 387408912 /nfs/dbraw/zinc/40/89/12/387408912.db2.gz WODCHDKKZMGPGU-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP CO[C@@H](C)[C@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000361175809 387410262 /nfs/dbraw/zinc/41/02/62/387410262.db2.gz STXNIKSYVBPKPM-RYUDHWBXSA-N 2 0 244.379 0.704 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC[N@@H+]1C ZINC000648123956 387414453 /nfs/dbraw/zinc/41/44/53/387414453.db2.gz MSNCVYZLNSGHKO-DDHJBXDOSA-N 2 0 239.363 0.441 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000361220317 387417549 /nfs/dbraw/zinc/41/75/49/387417549.db2.gz KINHRNPLTTUNIM-RWMBFGLXSA-N 2 0 243.395 0.635 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]([NH3+])COC ZINC000423766265 387418820 /nfs/dbraw/zinc/41/88/20/387418820.db2.gz CNONGOCYLJKMIJ-QWRGUYRKSA-N 2 0 245.367 0.197 20 0 BCADRP C[NH2+]CCC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000423773364 387421251 /nfs/dbraw/zinc/42/12/51/387421251.db2.gz LYMSTJOBTXACNM-LLVKDONJSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@]1(CNC(=O)[C@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000336598527 387421482 /nfs/dbraw/zinc/42/14/82/387421482.db2.gz STNCTBMVEXVBNG-ZYHUDNBSSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000336598196 387421677 /nfs/dbraw/zinc/42/16/77/387421677.db2.gz SCOAHHPYKMVWLM-GHMZBOCLSA-N 2 0 239.363 0.701 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000423778013 387422368 /nfs/dbraw/zinc/42/23/68/387422368.db2.gz SHYPKSZCTXHWTL-RYUDHWBXSA-N 2 0 241.379 0.641 20 0 BCADRP [NH3+]C1(CNC(=O)CCC2CC[NH2+]CC2)CCC1 ZINC000516284913 387495338 /nfs/dbraw/zinc/49/53/38/387495338.db2.gz JTLXJYTXDNPHRG-UHFFFAOYSA-N 2 0 239.363 0.764 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@@H]1CN(C)CCO1 ZINC000643474871 387496203 /nfs/dbraw/zinc/49/62/03/387496203.db2.gz JHUOIQPTGFTRMB-UPJWGTAASA-N 2 0 243.395 0.813 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422029446 387542964 /nfs/dbraw/zinc/54/29/64/387542964.db2.gz XZYDCLLFNPHRAS-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000374998102 387506667 /nfs/dbraw/zinc/50/66/67/387506667.db2.gz ZYOLVZVSHKYESV-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[C@@H](C(=O)N(C)CC[NH3+])[NH+]1CCCCC1 ZINC000424002163 387463933 /nfs/dbraw/zinc/46/39/33/387463933.db2.gz IGGCOKXQLDHSMR-LBPRGKRZSA-N 2 0 241.379 0.914 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH3+] ZINC000424001803 387464356 /nfs/dbraw/zinc/46/43/56/387464356.db2.gz IBRKSAJFECTQHY-SNVBAGLBSA-N 2 0 213.325 0.278 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C)CCC[NH2+]C ZINC000424021503 387467577 /nfs/dbraw/zinc/46/75/77/387467577.db2.gz QYYQSOUCEKQPBR-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP C[NH2+][C@@H](C)Cc1noc(C2(C[NH3+])CCCC2)n1 ZINC000516180998 387468308 /nfs/dbraw/zinc/46/83/08/387468308.db2.gz YNHMXYNMRSITDZ-VIFPVBQESA-N 2 0 238.335 0.991 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424043151 387468395 /nfs/dbraw/zinc/46/83/95/387468395.db2.gz DYMKZQQPCGPHLT-OUAUKWLOSA-N 2 0 227.352 0.631 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000516179834 387468563 /nfs/dbraw/zinc/46/85/63/387468563.db2.gz HGFZTZMADKDVAJ-HTAVTVPLSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1C[C@H](NCC[NH2+]C2CC2)C[N@@H+]1C1CC1 ZINC000643507034 387476103 /nfs/dbraw/zinc/47/61/03/387476103.db2.gz QHDRALUKWTWPNE-PWSUYJOCSA-N 2 0 223.364 0.953 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424074064 387478862 /nfs/dbraw/zinc/47/88/62/387478862.db2.gz GOAVZZJXNFIBHG-BBBLOLIVSA-N 2 0 213.325 0.165 20 0 BCADRP [NH3+][C@H]1CCCCC[C@H]1NCC[NH2+]C1CC1 ZINC000643508270 387481805 /nfs/dbraw/zinc/48/18/05/387481805.db2.gz ZSOAKIAFOMBDCS-NWDGAFQWSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CC[NH2+]2)C[C@@H]1C[NH3+] ZINC000424083790 387481914 /nfs/dbraw/zinc/48/19/14/387481914.db2.gz YJBPFIGQUCDGEF-CHWFTXMASA-N 2 0 225.336 0.180 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000424083449 387482075 /nfs/dbraw/zinc/48/20/75/387482075.db2.gz XCRQDLYEPBPCLJ-NHCYSSNCSA-N 2 0 225.336 0.243 20 0 BCADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[NH+]1CCC1 ZINC000355168697 387492971 /nfs/dbraw/zinc/49/29/71/387492971.db2.gz YFUPXUBCRIXDQK-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NCC(=O)NCC1CC1 ZINC000430556901 387628147 /nfs/dbraw/zinc/62/81/47/387628147.db2.gz LSAONUUOIDEEDY-LBPRGKRZSA-N 2 0 227.352 0.476 20 0 BCADRP CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[NH3+] ZINC000375846332 387587376 /nfs/dbraw/zinc/58/73/76/387587376.db2.gz DSGMRNTWAAHYBD-QWRGUYRKSA-N 2 0 225.336 0.420 20 0 BCADRP CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[NH3+] ZINC000375846336 387587508 /nfs/dbraw/zinc/58/75/08/387587508.db2.gz DSGMRNTWAAHYBD-WDEREUQCSA-N 2 0 225.336 0.420 20 0 BCADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCN1CCOCC1 ZINC000123715783 387592743 /nfs/dbraw/zinc/59/27/43/387592743.db2.gz COZGDFRLWKYAQQ-CYBMUJFWSA-N 2 0 243.395 0.624 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000237857540 387593702 /nfs/dbraw/zinc/59/37/02/387593702.db2.gz XYQHIHFTDKEOQI-MNOVXSKESA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422536312 387595227 /nfs/dbraw/zinc/59/52/27/387595227.db2.gz FGKFCGADMOCNGS-DGORSVRFSA-N 2 0 241.379 0.802 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422545765 387596488 /nfs/dbraw/zinc/59/64/88/387596488.db2.gz XVIIIANAQISBSX-ZNSHCXBVSA-N 2 0 227.352 0.556 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)C[C@@H](C)[NH2+]1 ZINC000422545932 387596518 /nfs/dbraw/zinc/59/65/18/387596518.db2.gz YDHYEKYQPFFHJB-KKZNHRDASA-N 2 0 225.336 0.323 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422541634 387596912 /nfs/dbraw/zinc/59/69/12/387596912.db2.gz ONECECXJUPYGDF-NXEZZACHSA-N 2 0 227.352 0.605 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000422539426 387597160 /nfs/dbraw/zinc/59/71/60/387597160.db2.gz KJSGPXVSAJDQAL-NXEZZACHSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N(C)CC[NH+](C)C ZINC000355968675 387599763 /nfs/dbraw/zinc/59/97/63/387599763.db2.gz JRHAKNIVWXNIIR-LLVKDONJSA-N 2 0 244.383 0.530 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000583694909 387601444 /nfs/dbraw/zinc/60/14/44/387601444.db2.gz RSGSSOKJVFDHQJ-NXEZZACHSA-N 2 0 215.341 0.617 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC(C)(C)CC[NH3+] ZINC000422604361 387605423 /nfs/dbraw/zinc/60/54/23/387605423.db2.gz BSUVLURSHXKEHB-JTQLQIEISA-N 2 0 244.383 0.786 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000422606217 387605633 /nfs/dbraw/zinc/60/56/33/387605633.db2.gz IGQYOSSOOUDEPA-VIFPVBQESA-N 2 0 228.340 0.165 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)NC(C)(C)CC[NH3+] ZINC000422606321 387606226 /nfs/dbraw/zinc/60/62/26/387606226.db2.gz IHZDPLYKRDASAG-SNVBAGLBSA-N 2 0 244.383 0.931 20 0 BCADRP C[NH2+]CCCNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422605590 387606374 /nfs/dbraw/zinc/60/63/74/387606374.db2.gz GITNZPJEXQEMGB-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422610835 387606779 /nfs/dbraw/zinc/60/67/79/387606779.db2.gz QWPONOHWQKLKKO-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP CN(CC[NH+](C)C)C(=O)NCC[N@H+](C)C1CC1 ZINC000356104014 387616549 /nfs/dbraw/zinc/61/65/49/387616549.db2.gz ZPMXKBLJMNQQRF-UHFFFAOYSA-N 2 0 242.367 0.284 20 0 BCADRP COCCN1CCC[C@@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422707623 387621843 /nfs/dbraw/zinc/62/18/43/387621843.db2.gz WSOQINRXDDGKKF-QWHCGFSZSA-N 2 0 243.395 0.814 20 0 BCADRP C[NH+]1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000527533832 387624858 /nfs/dbraw/zinc/62/48/58/387624858.db2.gz VYXKDVCXLOYYEY-LBPRGKRZSA-N 2 0 223.364 0.955 20 0 BCADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC([NH+](C)C)C1 ZINC000355570843 387552376 /nfs/dbraw/zinc/55/23/76/387552376.db2.gz IMPQFMVXWAYSME-LBPRGKRZSA-N 2 0 241.379 0.926 20 0 BCADRP CC[NH+](CC)CCN1C[C@H]2OCCN(C)[C@H]2C1 ZINC000119981949 387558236 /nfs/dbraw/zinc/55/82/36/387558236.db2.gz NSDTZZHTVIASRC-QWHCGFSZSA-N 2 0 241.379 0.343 20 0 BCADRP CC(C)[C@H](C(=O)NCC[N@H+](C)C1CC1)[C@H](C)[NH3+] ZINC000399626342 387564542 /nfs/dbraw/zinc/56/45/42/387564542.db2.gz DREROQHYDLTPDK-JQWIXIFHSA-N 2 0 241.379 0.816 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000399725638 387567013 /nfs/dbraw/zinc/56/70/13/387567013.db2.gz KAEIPPLJHPEDCW-WDEREUQCSA-N 2 0 229.368 0.674 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000399725139 387568102 /nfs/dbraw/zinc/56/81/02/387568102.db2.gz KAEIPPLJHPEDCW-MNOVXSKESA-N 2 0 229.368 0.674 20 0 BCADRP C[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000367392123 387573991 /nfs/dbraw/zinc/57/39/91/387573991.db2.gz MGDZMRBYXQKHNM-RITPCOANSA-N 2 0 240.332 0.245 20 0 BCADRP C[C@@H]1COCCN1CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422720910 387632317 /nfs/dbraw/zinc/63/23/17/387632317.db2.gz UDJWUTTYZBVBLL-UPJWGTAASA-N 2 0 241.379 0.424 20 0 BCADRP [NH3+]C1CC[NH+](CCCN2CCOCC2)CC1 ZINC000430617459 387632547 /nfs/dbraw/zinc/63/25/47/387632547.db2.gz MWKMJKDGTCDEQB-UHFFFAOYSA-N 2 0 227.352 0.132 20 0 BCADRP CCCCNC(=O)CC[N@H+](C)C1CC[NH2+]CC1 ZINC000430642094 387635246 /nfs/dbraw/zinc/63/52/46/387635246.db2.gz NTJZMWSTXJVVJU-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH+](C)[C@]1(CNC(=O)C(C)(C)[NH3+])CCSC1 ZINC000430676701 387637963 /nfs/dbraw/zinc/63/79/63/387637963.db2.gz PCVIHPMEBLTIPV-NSHDSACASA-N 2 0 245.392 0.277 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000430686415 387638170 /nfs/dbraw/zinc/63/81/70/387638170.db2.gz MPKVTHHFOMKEGX-GXSJLCMTSA-N 2 0 245.392 0.277 20 0 BCADRP CN(CC1CC1)C(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000430667472 387638919 /nfs/dbraw/zinc/63/89/19/387638919.db2.gz QAQGODNAMRYEAC-UHFFFAOYSA-N 2 0 239.363 0.526 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000422735593 387643553 /nfs/dbraw/zinc/64/35/53/387643553.db2.gz WGNYFCFVXCDUHW-VHSXEESVSA-N 2 0 215.341 0.332 20 0 BCADRP C[C@H]1C[C@H](N(C)C(=O)CC[NH3+])CC[N@@H+]1C ZINC000430792117 387651510 /nfs/dbraw/zinc/65/15/10/387651510.db2.gz HCKXFQYXZJCXNL-VHSXEESVSA-N 2 0 213.325 0.276 20 0 BCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000430808835 387653843 /nfs/dbraw/zinc/65/38/43/387653843.db2.gz NNDPBRHUSCHORC-NSHDSACASA-N 2 0 225.336 0.135 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430899586 387658730 /nfs/dbraw/zinc/65/87/30/387658730.db2.gz MECWOTGCYAKNGR-MWLCHTKSSA-N 2 0 225.336 0.419 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000422758171 387660935 /nfs/dbraw/zinc/66/09/35/387660935.db2.gz NPYYBIWORGQOPP-IJLUTSLNSA-N 2 0 211.353 0.940 20 0 BCADRP C[C@H](CN1CCCC1=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000422762380 387664125 /nfs/dbraw/zinc/66/41/25/387664125.db2.gz NPEBFZKOBVSDQX-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP CCCCNC(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430968666 387665629 /nfs/dbraw/zinc/66/56/29/387665629.db2.gz ATTUKYNWUPOYQR-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC(C)(C)N1CCOCC1 ZINC000422765959 387666467 /nfs/dbraw/zinc/66/64/67/387666467.db2.gz WOHOQZPSOXIIKS-NWDGAFQWSA-N 2 0 243.395 0.813 20 0 BCADRP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])CN1CCOCC1 ZINC000422769070 387667848 /nfs/dbraw/zinc/66/78/48/387667848.db2.gz SQOXGHWFWHRXES-AGIUHOORSA-N 2 0 243.395 0.670 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H](C)C1 ZINC000424137957 387667997 /nfs/dbraw/zinc/66/79/97/387667997.db2.gz CQJOTKRCHNQRGG-WHOHXGKFSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCC[NH3+] ZINC000431023874 387670624 /nfs/dbraw/zinc/67/06/24/387670624.db2.gz JIKYCUZHMPWJJC-ONGXEEELSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000431014721 387671340 /nfs/dbraw/zinc/67/13/40/387671340.db2.gz LDFRRBXYLHEUAT-PWSUYJOCSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[C@H](C)[NH3+])C1 ZINC000422775600 387672776 /nfs/dbraw/zinc/67/27/76/387672776.db2.gz CATOLPOTYORZGJ-TUAOUCFPSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)[C@H](O)CC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422776549 387675171 /nfs/dbraw/zinc/67/51/71/387675171.db2.gz CWEZACPAHWDGFH-OUAUKWLOSA-N 2 0 200.326 0.863 20 0 BCADRP COCCC[N@H+](C)CCN[C@H]1CCC[C@H]1[NH3+] ZINC000422785324 387683159 /nfs/dbraw/zinc/68/31/59/387683159.db2.gz QVEOMKTZDYBQKV-NEPJUHHUSA-N 2 0 229.368 0.424 20 0 BCADRP C[C@@H](N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422743555 387689531 /nfs/dbraw/zinc/68/95/31/387689531.db2.gz RSALLRSFYKULGN-WZRBSPASSA-N 2 0 223.364 0.953 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]C1 ZINC000377082962 387690338 /nfs/dbraw/zinc/69/03/38/387690338.db2.gz MEXDUDQASQSXAG-GVXVVHGQSA-N 2 0 239.363 0.633 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000422860172 387744597 /nfs/dbraw/zinc/74/45/97/387744597.db2.gz LVYJJORGEBHQKS-LLVKDONJSA-N 2 0 248.330 0.615 20 0 BCADRP [NH3+]C[C@H](NC(=O)c1ccc2c[nH+]cn2c1)C1CC1 ZINC000422865541 387747217 /nfs/dbraw/zinc/74/72/17/387747217.db2.gz YLASCTPKTBUJEB-LBPRGKRZSA-N 2 0 244.298 0.801 20 0 BCADRP [NH3+]C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1)C1CC1 ZINC000422865540 387747523 /nfs/dbraw/zinc/74/75/23/387747523.db2.gz YLASCTPKTBUJEB-GFCCVEGCSA-N 2 0 244.298 0.801 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377807282 387749466 /nfs/dbraw/zinc/74/94/66/387749466.db2.gz PDUXOIZKLJPLKL-ZMLRMANQSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1CC[NH2+]C1 ZINC000422871523 387749666 /nfs/dbraw/zinc/74/96/66/387749666.db2.gz DABCFPYVAVJJSH-CKYFFXLPSA-N 2 0 209.337 0.421 20 0 BCADRP C[C@H]([NH2+]CCCO[C@@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000422876577 387756471 /nfs/dbraw/zinc/75/64/71/387756471.db2.gz QLDNVIZGQOXDBM-XQQFMLRXSA-N 2 0 242.363 0.912 20 0 BCADRP CCC[C@H](C(=O)NCC[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000422804707 387702955 /nfs/dbraw/zinc/70/29/55/387702955.db2.gz KXZXPJHMEDRFNC-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP COC[C@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000127049202 387702966 /nfs/dbraw/zinc/70/29/66/387702966.db2.gz AIFNCMFVXQTUJQ-NWDGAFQWSA-N 2 0 230.352 0.267 20 0 BCADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)COC)C1 ZINC000127213964 387709366 /nfs/dbraw/zinc/70/93/66/387709366.db2.gz HGIMMUCQVWYMSN-CHWSQXEVSA-N 2 0 244.379 0.657 20 0 BCADRP C[C@@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000377346119 387710195 /nfs/dbraw/zinc/71/01/95/387710195.db2.gz ONHCLKRDISVZSR-JOYOIKCWSA-N 2 0 243.326 0.287 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000377306902 387710640 /nfs/dbraw/zinc/71/06/40/387710640.db2.gz HUZNSFNKTQYACB-UHFZAUJKSA-N 2 0 239.363 0.556 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000629613988 387713908 /nfs/dbraw/zinc/71/39/08/387713908.db2.gz UOFGBQLAVSEDCT-OUAUKWLOSA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@@H](C(=O)NC[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000629614216 387716207 /nfs/dbraw/zinc/71/62/07/387716207.db2.gz IDLOYQMCPHTULZ-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@H](C(=O)NCCC1(C[NH3+])CC1)[NH+](C)C ZINC000629614209 387716233 /nfs/dbraw/zinc/71/62/33/387716233.db2.gz DXZWOLPBWDXBPK-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[N@H+](CC)CCN[C@H](C)C1C[NH2+]C1 ZINC000422822818 387718432 /nfs/dbraw/zinc/71/84/32/387718432.db2.gz KSFLFTIPDQLCKQ-LLVKDONJSA-N 2 0 213.369 0.916 20 0 BCADRP C[NH+](C)CCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431619109 387722187 /nfs/dbraw/zinc/72/21/87/387722187.db2.gz FSIGCXNUZWXPAK-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000377561360 387726084 /nfs/dbraw/zinc/72/60/84/387726084.db2.gz HHEMNJKRJVMOOC-WHOHXGKFSA-N 2 0 239.363 0.583 20 0 BCADRP COCC[N@H+](C)CCCN[C@H]1CCC[C@H]1C[NH3+] ZINC000422841397 387731526 /nfs/dbraw/zinc/73/15/26/387731526.db2.gz CWOQYDVKLSURRM-STQMWFEESA-N 2 0 243.395 0.672 20 0 BCADRP C[C@H]1CCCN(C(=O)CC2(C[NH3+])CC2)[C@H]1C[NH3+] ZINC000422845518 387734575 /nfs/dbraw/zinc/73/45/75/387734575.db2.gz CAVXSSXKDWINTC-QWRGUYRKSA-N 2 0 239.363 0.701 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[NH+]1CCC(C)CC1 ZINC000422851687 387738857 /nfs/dbraw/zinc/73/88/57/387738857.db2.gz PLXTVSGLPYDPFV-GFCCVEGCSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000367652407 387739308 /nfs/dbraw/zinc/73/93/08/387739308.db2.gz DBAGOHWOSZXFDL-GRYCIOLGSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](CCN1CCOCC1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422913161 387770850 /nfs/dbraw/zinc/77/08/50/387770850.db2.gz PCXIFBUIEQZHTO-XQQFMLRXSA-N 2 0 243.395 0.813 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000378202076 387771094 /nfs/dbraw/zinc/77/10/94/387771094.db2.gz FNGQYMVPNQIGEC-GFCCVEGCSA-N 2 0 245.342 0.392 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422914399 387772022 /nfs/dbraw/zinc/77/20/22/387772022.db2.gz UABNHEPFSWZRCE-CHWSQXEVSA-N 2 0 247.342 0.886 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422914400 387772029 /nfs/dbraw/zinc/77/20/29/387772029.db2.gz UABNHEPFSWZRCE-OLZOCXBDSA-N 2 0 247.342 0.886 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000422917993 387772749 /nfs/dbraw/zinc/77/27/49/387772749.db2.gz GNQHVSZMCSZCCE-KKOKHZNYSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000441621888 387773262 /nfs/dbraw/zinc/77/32/62/387773262.db2.gz PLWFFDPDUCOWKE-PWSUYJOCSA-N 2 0 235.331 0.440 20 0 BCADRP CC(C)N1C[C@@H]([NH2+][C@@H](C)CCC[NH3+])CC1=O ZINC000422927039 387779088 /nfs/dbraw/zinc/77/90/88/387779088.db2.gz YALZDMDJIMBQCV-QWRGUYRKSA-N 2 0 227.352 0.713 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)C[NH+](C)C)CC1 ZINC000442644292 387812432 /nfs/dbraw/zinc/81/24/32/387812432.db2.gz BUPRPYTVFQHAIU-UHFFFAOYSA-N 2 0 227.352 0.491 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000157285086 387780550 /nfs/dbraw/zinc/78/05/50/387780550.db2.gz RVQLJQHGIVMJKA-SNVBAGLBSA-N 2 0 213.325 0.276 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000433162629 387783276 /nfs/dbraw/zinc/78/32/76/387783276.db2.gz VDMGVNORAMDVOE-WOPDTQHZSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@H]([NH3+])CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000442650286 387812592 /nfs/dbraw/zinc/81/25/92/387812592.db2.gz OTMBQGJAYBMPTQ-STQMWFEESA-N 2 0 241.379 0.378 20 0 BCADRP CC1CC[NH+](C[C@H](O)CN[C@@H]2CC[NH2+]C2)CC1 ZINC000422979087 387788810 /nfs/dbraw/zinc/78/88/10/387788810.db2.gz LGADFJKVWUTDPO-CHWSQXEVSA-N 2 0 241.379 0.031 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000378525273 387789577 /nfs/dbraw/zinc/78/95/77/387789577.db2.gz FBTNNAICTLHFNA-MNOVXSKESA-N 2 0 239.363 0.809 20 0 BCADRP C[C@H](N[C@H]1C[N@H+](C)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000422988090 387798728 /nfs/dbraw/zinc/79/87/28/387798728.db2.gz ICTIXDATTJJFBX-XQHKEYJVSA-N 2 0 225.380 0.914 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C)[NH+](C)C ZINC000432534033 387799428 /nfs/dbraw/zinc/79/94/28/387799428.db2.gz BNSAPEQLJIOMHQ-WOPDTQHZSA-N 2 0 241.379 0.687 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000432527714 387799706 /nfs/dbraw/zinc/79/97/06/387799706.db2.gz RGYIRXLHPYSHJW-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442596179 387808000 /nfs/dbraw/zinc/80/80/00/387808000.db2.gz DRSVYNVKBBTNOR-LBPRGKRZSA-N 2 0 241.379 0.916 20 0 BCADRP C[NH2+]CCCNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000418303651 387808553 /nfs/dbraw/zinc/80/85/53/387808553.db2.gz DLMMAUZQKCRZEK-GHMZBOCLSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccoc1 ZINC000309503242 387809018 /nfs/dbraw/zinc/80/90/18/387809018.db2.gz BKWBMWSDKICXOB-CMPLNLGQSA-N 2 0 224.304 0.997 20 0 BCADRP CS[C@H](CO)[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422974954 387823433 /nfs/dbraw/zinc/82/34/33/387823433.db2.gz FSYFIDVNRPTAIY-QCLAVDOMSA-N 2 0 220.382 0.814 20 0 BCADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422975781 387826119 /nfs/dbraw/zinc/82/61/19/387826119.db2.gz HGYYRCZODYCSJJ-GMTAPVOTSA-N 2 0 200.326 0.863 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000442722265 387827879 /nfs/dbraw/zinc/82/78/79/387827879.db2.gz WZCKWVKGGRPNCP-DCAQKATOSA-N 2 0 227.352 0.713 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CC2COC2)[C@H](C)C1 ZINC000528023092 387828577 /nfs/dbraw/zinc/82/85/77/387828577.db2.gz DIKCUNGSEGAYKB-PWSUYJOCSA-N 2 0 212.337 0.953 20 0 BCADRP CC(C)C[C@H]([NH3+])c1noc(CC2C[NH2+]C2)n1 ZINC000442751774 387834607 /nfs/dbraw/zinc/83/46/07/387834607.db2.gz RPZFNBAZTDIKRM-VIFPVBQESA-N 2 0 224.308 0.877 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C[N@@H+]1C1CC1 ZINC000424158630 387835092 /nfs/dbraw/zinc/83/50/92/387835092.db2.gz UDEDJAXJICGKGW-OYBPUVFXSA-N 2 0 223.320 0.075 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@@H]1CCN(C2CC2)C1=O ZINC000442751172 387835427 /nfs/dbraw/zinc/83/54/27/387835427.db2.gz BTVJGUFSYGFANK-CKYFFXLPSA-N 2 0 237.347 0.419 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C[N@@H+]1C1CC1 ZINC000424158625 387835564 /nfs/dbraw/zinc/83/55/64/387835564.db2.gz UDEDJAXJICGKGW-HLFFCZDVSA-N 2 0 223.320 0.075 20 0 BCADRP C[NH+](C)CCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000058084407 387839696 /nfs/dbraw/zinc/83/96/96/387839696.db2.gz SUMUPGGPEHEPQR-UHFFFAOYSA-N 2 0 233.315 0.581 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000433165562 387873795 /nfs/dbraw/zinc/87/37/95/387873795.db2.gz CIBRQLAQOODPPL-TUAOUCFPSA-N 2 0 239.363 0.570 20 0 BCADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000643533574 387848259 /nfs/dbraw/zinc/84/82/59/387848259.db2.gz RUDLMTDLINQTHZ-RNWYCLNJSA-N 2 0 210.321 0.751 20 0 BCADRP CC[C@@H]([NH2+]CCCOCCO)[C@@H]1CCC[NH2+]1 ZINC000423044333 387854898 /nfs/dbraw/zinc/85/48/98/387854898.db2.gz QYTCSPCRGPQFCJ-NEPJUHHUSA-N 2 0 230.352 0.506 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534896 387861326 /nfs/dbraw/zinc/86/13/26/387861326.db2.gz FJWGISXWDRJDHL-IJLUTSLNSA-N 2 0 223.364 0.668 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000433110875 387865765 /nfs/dbraw/zinc/86/57/65/387865765.db2.gz CLOFBEBTNKIDNY-JTQLQIEISA-N 2 0 227.352 0.605 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](C[NH3+])C(C)C ZINC000433123435 387867144 /nfs/dbraw/zinc/86/71/44/387867144.db2.gz UWYQBTQKVVOSGK-QWRGUYRKSA-N 2 0 229.368 0.707 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000433128353 387867809 /nfs/dbraw/zinc/86/78/09/387867809.db2.gz AJHWFLGZVOIBKB-NSHDSACASA-N 2 0 241.379 0.723 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H](C[NH3+])C(C)C ZINC000433129770 387867962 /nfs/dbraw/zinc/86/79/62/387867962.db2.gz FITFTBDQFNLSAU-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000629529755 387872058 /nfs/dbraw/zinc/87/20/58/387872058.db2.gz MGOFMCILEJNOAL-GHMZBOCLSA-N 2 0 216.325 0.380 20 0 BCADRP CC(C)C(=O)NC[C@@H]1CCCN(C[C@@H](C)[NH3+])C1 ZINC000442659133 387814491 /nfs/dbraw/zinc/81/44/91/387814491.db2.gz KJDHGZHDMOHEPE-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000629529756 387872682 /nfs/dbraw/zinc/87/26/82/387872682.db2.gz MGOFMCILEJNOAL-MNOVXSKESA-N 2 0 216.325 0.380 20 0 BCADRP C[C@@H]([NH3+])CN1CCCN(c2cccnn2)CC1 ZINC000442655684 387815245 /nfs/dbraw/zinc/81/52/45/387815245.db2.gz CYVMCQJRWDKNKC-LLVKDONJSA-N 2 0 235.335 0.336 20 0 BCADRP CC(C)OCC[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC000442665501 387816251 /nfs/dbraw/zinc/81/62/51/387816251.db2.gz PCNVUPFEJKDPEN-LBPRGKRZSA-N 2 0 229.368 0.376 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(C[C@H](C)[NH3+])C1 ZINC000442662977 387817411 /nfs/dbraw/zinc/81/74/11/387817411.db2.gz GIEXOFCXOVXBLZ-NWDGAFQWSA-N 2 0 213.369 0.997 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](C)[NH3+])C1 ZINC000442662976 387817792 /nfs/dbraw/zinc/81/77/92/387817792.db2.gz GIEXOFCXOVXBLZ-NEPJUHHUSA-N 2 0 213.369 0.997 20 0 BCADRP C[C@H]([NH3+])CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000442667075 387818504 /nfs/dbraw/zinc/81/85/04/387818504.db2.gz VDBQPVNPPMQRMM-AAEUAGOBSA-N 2 0 225.380 0.997 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CC(=O)N2CCCC[C@H]12 ZINC000423109486 387894162 /nfs/dbraw/zinc/89/41/62/387894162.db2.gz HGSGMEQICNPYKV-GRYCIOLGSA-N 2 0 239.363 0.857 20 0 BCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424181703 387896972 /nfs/dbraw/zinc/89/69/72/387896972.db2.gz RYKFVIFYEGHEGG-WISYIIOYSA-N 2 0 237.347 0.276 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538391 387876543 /nfs/dbraw/zinc/87/65/43/387876543.db2.gz JDQMZCODOILRNF-FIQHERPVSA-N 2 0 229.343 0.664 20 0 BCADRP C[C@@H](NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000643538250 387877797 /nfs/dbraw/zinc/87/77/97/387877797.db2.gz CIKDSYBYQAVNON-NOOOWODRSA-N 2 0 229.343 0.807 20 0 BCADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000423082053 387878115 /nfs/dbraw/zinc/87/81/15/387878115.db2.gz CJDTXFNQDNRYHD-FIQHERPVSA-N 2 0 240.347 0.916 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538325 387878153 /nfs/dbraw/zinc/87/81/53/387878153.db2.gz GWFKRSVDNAXBAV-XWLWVQCSSA-N 2 0 215.316 0.403 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NCC[N@H+]1CC=CCC1 ZINC000423095247 387884667 /nfs/dbraw/zinc/88/46/67/387884667.db2.gz LTDVYGBIVFBPTD-STQMWFEESA-N 2 0 223.364 0.836 20 0 BCADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000424176665 387885726 /nfs/dbraw/zinc/88/57/26/387885726.db2.gz OZMYLOCSGOFQCW-GFCCVEGCSA-N 2 0 249.314 0.333 20 0 BCADRP CC(C)[C@@H](CO)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423101059 387887275 /nfs/dbraw/zinc/88/72/75/387887275.db2.gz CIAOOZOTUGTPOR-IJLUTSLNSA-N 2 0 214.353 0.981 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000423141411 387918319 /nfs/dbraw/zinc/91/83/19/387918319.db2.gz PSHHTJNEIMWMLV-RTXFEEFZSA-N 2 0 226.364 0.983 20 0 BCADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H](C)C1C[NH2+]C1 ZINC000423123104 387902484 /nfs/dbraw/zinc/90/24/84/387902484.db2.gz MATQISLUGOKDNN-QWRGUYRKSA-N 2 0 213.369 0.913 20 0 BCADRP CC[NH+]1CCC(CC[NH2+]CCC(N)=O)CC1 ZINC000514669298 387912003 /nfs/dbraw/zinc/91/20/03/387912003.db2.gz ZWPSMFBRHUBVQI-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000418343716 387914996 /nfs/dbraw/zinc/91/49/96/387914996.db2.gz APJQYTDMTIKSEQ-DCAQKATOSA-N 2 0 240.351 0.260 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424216790 387932833 /nfs/dbraw/zinc/93/28/33/387932833.db2.gz JNDFMXSUFHVDRM-GJMOJQLCSA-N 2 0 235.278 0.355 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424217671 387935068 /nfs/dbraw/zinc/93/50/68/387935068.db2.gz NEIJSCRMZHOZQJ-DDHJBXDOSA-N 2 0 239.363 0.761 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237145530 387921531 /nfs/dbraw/zinc/92/15/31/387921531.db2.gz KYVJTXRMMFSPED-YIBTVLSRSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCN1CCO ZINC000423144167 387921571 /nfs/dbraw/zinc/92/15/71/387921571.db2.gz GFFBCMLRKMNGDE-STQMWFEESA-N 2 0 243.395 0.550 20 0 BCADRP CCC[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)OC ZINC000423147632 387926054 /nfs/dbraw/zinc/92/60/54/387926054.db2.gz SLUWTVYPUMNGHQ-GXSJLCMTSA-N 2 0 200.326 0.999 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CCCC[N@@H+]1CCO ZINC000423149580 387928024 /nfs/dbraw/zinc/92/80/24/387928024.db2.gz XUPNWBODHGOJFY-XQQFMLRXSA-N 2 0 243.395 0.549 20 0 BCADRP CC[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])C(=O)NC ZINC000423167610 387953268 /nfs/dbraw/zinc/95/32/68/387953268.db2.gz SPVPMYMPEFHELY-DCAQKATOSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000158222107 387940130 /nfs/dbraw/zinc/94/01/30/387940130.db2.gz DFSKYIZCDRDGMB-NWDGAFQWSA-N 2 0 249.358 0.970 20 0 BCADRP CO[C@@H](C[NH3+])C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424237326 387942137 /nfs/dbraw/zinc/94/21/37/387942137.db2.gz JZXYHNUMBSAWAA-NSHDSACASA-N 2 0 237.303 0.366 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424232662 387942595 /nfs/dbraw/zinc/94/25/95/387942595.db2.gz DLOFZXUSPFQOCG-DDHJBXDOSA-N 2 0 239.363 0.890 20 0 BCADRP C[C@@H](C(=O)NCCNc1cc[nH+]cc1)[C@H](C)[NH3+] ZINC000645642550 387947885 /nfs/dbraw/zinc/94/78/85/387947885.db2.gz JDDYMDRDDUVMJF-ZJUUUORDSA-N 2 0 236.319 0.015 20 0 BCADRP CCN(C)CC[NH2+]C1CC(CC(=O)OC)C1 ZINC000424268974 387948835 /nfs/dbraw/zinc/94/88/35/387948835.db2.gz LTRZGHHCSYSOSU-UHFFFAOYSA-N 2 0 228.336 0.869 20 0 BCADRP C[NH2+]CCC[NH2+][C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000424296630 387958198 /nfs/dbraw/zinc/95/81/98/387958198.db2.gz SCJDNDHAHQCVDN-NEPJUHHUSA-N 2 0 238.335 0.449 20 0 BCADRP c1cn([C@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC000424299235 387958624 /nfs/dbraw/zinc/95/86/24/387958624.db2.gz DTHREFWWLWHRTA-OLZOCXBDSA-N 2 0 249.362 0.915 20 0 BCADRP CO[C@@H](C)[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423184514 387969505 /nfs/dbraw/zinc/96/95/05/387969505.db2.gz UCUQIEKOHMNPFG-RYUDHWBXSA-N 2 0 229.368 0.295 20 0 BCADRP C1CC1[C@@H](N[C@@H]1CCC[NH2+]C1)[C@H]1C[NH2+]CCO1 ZINC000423197121 387981128 /nfs/dbraw/zinc/98/11/28/387981128.db2.gz XZGRVBPTJHVQJQ-JHJVBQTASA-N 2 0 239.363 0.095 20 0 BCADRP COCC[N@@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000423196950 387981392 /nfs/dbraw/zinc/98/13/92/387981392.db2.gz XAAPJVBOPYMSQY-RYUDHWBXSA-N 2 0 227.352 0.049 20 0 BCADRP C[C@@H](N[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423196662 387981535 /nfs/dbraw/zinc/98/15/35/387981535.db2.gz VVMIDILZHOLHJZ-IJLUTSLNSA-N 2 0 211.353 0.859 20 0 BCADRP C[NH2+]CCCN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423201268 387987460 /nfs/dbraw/zinc/98/74/60/387987460.db2.gz OGSCVBBTMPMLRY-QWRGUYRKSA-N 2 0 211.353 0.811 20 0 BCADRP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1CCC12CCC2 ZINC000423202430 387988116 /nfs/dbraw/zinc/98/81/16/387988116.db2.gz KQSLIXHNZXYXRB-GFCCVEGCSA-N 2 0 223.364 0.814 20 0 BCADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000423203883 387989139 /nfs/dbraw/zinc/98/91/39/387989139.db2.gz AKGZWHBZUBLEMQ-UBHSHLNASA-N 2 0 233.359 0.896 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCN1CCCC1=O ZINC000424341246 387982022 /nfs/dbraw/zinc/98/20/22/387982022.db2.gz ZPVOJJWAYJXXOA-GHMZBOCLSA-N 2 0 225.336 0.468 20 0 BCADRP C1CC1[C@@H](N[C@@H]1CCC[NH2+]C1)[C@@H]1C[NH2+]CCO1 ZINC000423197120 387982357 /nfs/dbraw/zinc/98/23/57/387982357.db2.gz XZGRVBPTJHVQJQ-FRRDWIJNSA-N 2 0 239.363 0.095 20 0 BCADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C2)[C@@H]1C ZINC000423219964 388001599 /nfs/dbraw/zinc/00/15/99/388001599.db2.gz XDIDNJGTCLNWHS-KXNHARMFSA-N 2 0 240.347 0.916 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000080993801 388005179 /nfs/dbraw/zinc/00/51/79/388005179.db2.gz FRFNDHLYENEHHE-LBPRGKRZSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080999168 388005438 /nfs/dbraw/zinc/00/54/38/388005438.db2.gz QBZVZWCDDSMCDA-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000080999173 388006087 /nfs/dbraw/zinc/00/60/87/388006087.db2.gz QBZVZWCDDSMCDA-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CC[NH2+]C1 ZINC000446285824 388011790 /nfs/dbraw/zinc/01/17/90/388011790.db2.gz YICSXTPPLUNQRY-GRYCIOLGSA-N 2 0 237.347 0.339 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424471965 388013394 /nfs/dbraw/zinc/01/33/94/388013394.db2.gz UDDAWOUMVZBJIE-OPRDCNLKSA-N 2 0 228.340 0.293 20 0 BCADRP CO[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000253236608 135124914 /nfs/dbraw/zinc/12/49/14/135124914.db2.gz FDINCDHGFSZXJZ-GMTAPVOTSA-N 2 0 200.326 0.951 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@H]1CCC[NH2+]1 ZINC000423229376 388015913 /nfs/dbraw/zinc/01/59/13/388015913.db2.gz BASYYRQXCQEJNA-NQBHXWOUSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCC[NH2+]1 ZINC000423232281 388016648 /nfs/dbraw/zinc/01/66/48/388016648.db2.gz IBIWTWUUVBEEBD-UTUOFQBUSA-N 2 0 211.353 0.716 20 0 BCADRP [NH3+]CCC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000082256153 388019479 /nfs/dbraw/zinc/01/94/79/388019479.db2.gz MZFZFYFQRIZMAD-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP [NH3+]CC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000082257301 388019775 /nfs/dbraw/zinc/01/97/75/388019775.db2.gz NFPKQHZCQIFWOD-VIFPVBQESA-N 2 0 211.309 0.078 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000161966798 388032750 /nfs/dbraw/zinc/03/27/50/388032750.db2.gz JTAJVWPMXAOIMC-YPMHNXCESA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424477533 388034370 /nfs/dbraw/zinc/03/43/70/388034370.db2.gz LOYVLSPDFFWZMV-OPRDCNLKSA-N 2 0 228.340 0.150 20 0 BCADRP CC[NH2+]CCN[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423252687 388035944 /nfs/dbraw/zinc/03/59/44/388035944.db2.gz YAPFMJFYFWWYCU-PWSUYJOCSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254771 388037610 /nfs/dbraw/zinc/03/76/10/388037610.db2.gz ZJBAUUPREIVOLS-IJLUTSLNSA-N 2 0 211.353 0.526 20 0 BCADRP [NH3+][C@@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC000424483469 388040189 /nfs/dbraw/zinc/04/01/89/388040189.db2.gz XVIVVQUXVVPZCX-OUAUKWLOSA-N 2 0 240.351 0.293 20 0 BCADRP CC[NH2+]CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000423248500 388031615 /nfs/dbraw/zinc/03/16/15/388031615.db2.gz QTXPDDVKCWKNND-SDDRHHMPSA-N 2 0 213.369 0.914 20 0 BCADRP C[NH2+]C[C@H](C)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423274569 388055109 /nfs/dbraw/zinc/05/51/09/388055109.db2.gz MBOQGGIPACBTMR-QJPTWQEYSA-N 2 0 213.369 0.962 20 0 BCADRP C[NH2+]C[C@@H](C)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423274567 388055190 /nfs/dbraw/zinc/05/51/90/388055190.db2.gz MBOQGGIPACBTMR-GRYCIOLGSA-N 2 0 213.369 0.962 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000453370171 388055851 /nfs/dbraw/zinc/05/58/51/388055851.db2.gz QPNJGTHSBWJSDV-JCIQBVFBSA-N 2 0 212.337 0.828 20 0 BCADRP C[C@@H]1CCNC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423278169 388060860 /nfs/dbraw/zinc/06/08/60/388060860.db2.gz QRDJZFOQJFSKAE-FRRDWIJNSA-N 2 0 225.380 0.964 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])CC(F)F ZINC000336657376 388069426 /nfs/dbraw/zinc/06/94/26/388069426.db2.gz LVRQCRCGKXJJCR-YUMQZZPRSA-N 2 0 237.294 0.425 20 0 BCADRP C[C@H]1C[C@@H](NCC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000423287963 388073461 /nfs/dbraw/zinc/07/34/61/388073461.db2.gz PQTKALWLFOISSO-VHSXEESVSA-N 2 0 211.353 0.939 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000447507671 388074830 /nfs/dbraw/zinc/07/48/30/388074830.db2.gz ILSLYOSNLJWUTC-WOPDTQHZSA-N 2 0 241.379 0.829 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000447514878 388076285 /nfs/dbraw/zinc/07/62/85/388076285.db2.gz ILSLYOSNLJWUTC-QJPTWQEYSA-N 2 0 241.379 0.829 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423294462 388077488 /nfs/dbraw/zinc/07/74/88/388077488.db2.gz CAIMKIZLFADBOG-WZRBSPASSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)(O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086724005 388108437 /nfs/dbraw/zinc/10/84/37/388108437.db2.gz RGQUTHYMZRQCKJ-UHFFFAOYSA-N 2 0 230.352 0.587 20 0 BCADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCN(CCOC)C1 ZINC000423267084 388045380 /nfs/dbraw/zinc/04/53/80/388045380.db2.gz DUETVWZLYXVYGM-VXGBXAGGSA-N 2 0 229.368 0.152 20 0 BCADRP C[NH2+]C[C@H](C)CN[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423271184 388049995 /nfs/dbraw/zinc/04/99/95/388049995.db2.gz IRJGQDYYSFBWSX-GVXVVHGQSA-N 2 0 225.380 0.914 20 0 BCADRP C[NH2+]C[C@H](C)CN[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423271181 388050043 /nfs/dbraw/zinc/05/00/43/388050043.db2.gz IRJGQDYYSFBWSX-DMDPSCGWSA-N 2 0 225.380 0.914 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000646195863 388162320 /nfs/dbraw/zinc/16/23/20/388162320.db2.gz LGPPUDRVHBAIHC-GARJFASQSA-N 2 0 242.367 0.554 20 0 BCADRP [NH3+]C/C=C/CNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000646206294 388163871 /nfs/dbraw/zinc/16/38/71/388163871.db2.gz OPKUOMBETDNOFG-OWOJBTEDSA-N 2 0 248.330 0.459 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000646216661 388167248 /nfs/dbraw/zinc/16/72/48/388167248.db2.gz MJLGECRWFAIXHC-LMLFDSFASA-N 2 0 242.367 0.681 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H](C)[NH+](C)C ZINC000449332435 388174244 /nfs/dbraw/zinc/17/42/44/388174244.db2.gz DGVGQMOLYPHVRL-UWVGGRQHSA-N 2 0 215.341 0.441 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CC(C)(C)[NH3+])[C@@H]2C1 ZINC000646297373 388178405 /nfs/dbraw/zinc/17/84/05/388178405.db2.gz DRFSKJCLNPIYMX-GHMZBOCLSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](C)C[NH3+] ZINC000449359271 388181840 /nfs/dbraw/zinc/18/18/40/388181840.db2.gz PRBSAJLQKVVIQE-VHSXEESVSA-N 2 0 229.368 0.722 20 0 BCADRP C[C@@H](NC(=O)C1([NH3+])CCC1)C(C)(C)C[NH+](C)C ZINC000449362797 388182268 /nfs/dbraw/zinc/18/22/68/388182268.db2.gz KZXOEIHGGCLFFL-SNVBAGLBSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)[N@H+](C)C1CC1 ZINC000645906574 388123468 /nfs/dbraw/zinc/12/34/68/388123468.db2.gz SZUFQVJYMMEFJI-MWLCHTKSSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000646012648 388124041 /nfs/dbraw/zinc/12/40/41/388124041.db2.gz UWUZFCYNASVJDT-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H](C)C[NH2+]C ZINC000646012187 388124242 /nfs/dbraw/zinc/12/42/42/388124242.db2.gz HWOUBTCSVUVGDH-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CC(C)(C)[NH3+] ZINC000646070707 388137106 /nfs/dbraw/zinc/13/71/06/388137106.db2.gz KTBMNYFTNPNLAK-MNOVXSKESA-N 2 0 241.379 0.912 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC1CC[NH2+]CC1 ZINC000449061503 388137483 /nfs/dbraw/zinc/13/74/83/388137483.db2.gz VTNLYKPGMIVXED-NSHDSACASA-N 2 0 241.379 0.879 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000449060520 388137516 /nfs/dbraw/zinc/13/75/16/388137516.db2.gz STORYDFXJCOTNU-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449079655 388139679 /nfs/dbraw/zinc/13/96/79/388139679.db2.gz ZSJBEFVAIQCSNI-DDHJBXDOSA-N 2 0 239.363 0.570 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000449098792 388142184 /nfs/dbraw/zinc/14/21/84/388142184.db2.gz KYELVDVFYVSVNJ-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449102401 388143216 /nfs/dbraw/zinc/14/32/16/388143216.db2.gz JOVIOXCNBVNRCP-QWRGUYRKSA-N 2 0 227.352 0.620 20 0 BCADRP COC[C@@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104865 388143441 /nfs/dbraw/zinc/14/34/41/388143441.db2.gz ZXILCKOAQUSQKF-GFCCVEGCSA-N 2 0 242.363 0.818 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC(C)(C)C[NH3+] ZINC000449106447 388143619 /nfs/dbraw/zinc/14/36/19/388143619.db2.gz MDJDDOSHDMQIDT-MRVPVSSYSA-N 2 0 201.314 0.228 20 0 BCADRP CC(C)(C[NH3+])NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449108400 388143636 /nfs/dbraw/zinc/14/36/36/388143636.db2.gz UPXKPTZHRZTAHS-VHSXEESVSA-N 2 0 227.352 0.748 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC[N@H+](C)C(C)C ZINC000449116240 388144495 /nfs/dbraw/zinc/14/44/95/388144495.db2.gz OZBFVSBUSLVHRK-NSHDSACASA-N 2 0 229.368 0.831 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C)[C@H](C)C[NH3+] ZINC000449116161 388144582 /nfs/dbraw/zinc/14/45/82/388144582.db2.gz KDVAIJRYZIXMFK-RKDXNWHRSA-N 2 0 201.314 0.180 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000449123652 388145070 /nfs/dbraw/zinc/14/50/70/388145070.db2.gz DKOZXGXGFGJUBE-PSASIEDQSA-N 2 0 213.325 0.228 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000449118538 388145087 /nfs/dbraw/zinc/14/50/87/388145087.db2.gz SNYWYTCHVYZCBV-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000449123653 388145188 /nfs/dbraw/zinc/14/51/88/388145188.db2.gz DKOZXGXGFGJUBE-SCZZXKLOSA-N 2 0 213.325 0.228 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000449118410 388145252 /nfs/dbraw/zinc/14/52/52/388145252.db2.gz SKBUDFGRVXMFJW-QWRGUYRKSA-N 2 0 229.368 0.864 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000449118017 388145774 /nfs/dbraw/zinc/14/57/74/388145774.db2.gz RASHUYKABHLRRE-WDEREUQCSA-N 2 0 241.379 0.973 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC(C)(C)[NH3+] ZINC000449130531 388146210 /nfs/dbraw/zinc/14/62/10/388146210.db2.gz GZSKGHHCHOGHRJ-MRVPVSSYSA-N 2 0 201.314 0.228 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000195232522 388149752 /nfs/dbraw/zinc/14/97/52/388149752.db2.gz WXMCMVZIPZGZTP-RISCZKNCSA-N 2 0 249.358 0.832 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449665131 388250436 /nfs/dbraw/zinc/25/04/36/388250436.db2.gz MQBQMTUOWGXXAW-DTWKUNHWSA-N 2 0 249.305 0.331 20 0 BCADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCc2c1cnn2C ZINC000336662754 388260965 /nfs/dbraw/zinc/26/09/65/388260965.db2.gz KPRUOHDWLKEKCX-KOLCDFICSA-N 2 0 222.336 0.982 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000449384066 388189548 /nfs/dbraw/zinc/18/95/48/388189548.db2.gz MAZMTGWZBFFPOP-WCQYABFASA-N 2 0 241.379 0.880 20 0 BCADRP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCCOC3)C[C@@H]2C1 ZINC000488785577 388195134 /nfs/dbraw/zinc/19/51/34/388195134.db2.gz RSRKCZCMETZEQA-UPJWGTAASA-N 2 0 224.348 0.906 20 0 BCADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000449474935 388213628 /nfs/dbraw/zinc/21/36/28/388213628.db2.gz DMVVTDUUODQNLP-UTUOFQBUSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000646318298 388217186 /nfs/dbraw/zinc/21/71/86/388217186.db2.gz TZSIEWUZVNSIFW-LBPRGKRZSA-N 2 0 237.347 0.470 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000449539128 388227267 /nfs/dbraw/zinc/22/72/67/388227267.db2.gz VIANVBVPEFUJMG-PWSUYJOCSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449573233 388235695 /nfs/dbraw/zinc/23/56/95/388235695.db2.gz PYZCAHIBXDCANG-OQEOFVATSA-N 2 0 237.347 0.228 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449598089 388239465 /nfs/dbraw/zinc/23/94/65/388239465.db2.gz AVRSWNLHDVLUFG-MMWGEVLESA-N 2 0 227.352 0.746 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449598094 388239525 /nfs/dbraw/zinc/23/95/25/388239525.db2.gz AVRSWNLHDVLUFG-XWLWVQCSSA-N 2 0 227.352 0.746 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])CC(C)C ZINC000449596679 388239669 /nfs/dbraw/zinc/23/96/69/388239669.db2.gz BZQFCXNTWXDWDE-IUCAKERBSA-N 2 0 201.314 0.213 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]([NH3+])CC ZINC000449605364 388240216 /nfs/dbraw/zinc/24/02/16/388240216.db2.gz ZEOJTKWURORHQU-WCBMZHEXSA-N 2 0 201.314 0.357 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000449604247 388240759 /nfs/dbraw/zinc/24/07/59/388240759.db2.gz WVUVBBWASGEEML-RHYQMDGZSA-N 2 0 239.363 0.761 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000449603359 388240861 /nfs/dbraw/zinc/24/08/61/388240861.db2.gz VYKAOEMZTRRNFX-WDEREUQCSA-N 2 0 221.304 0.540 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449608733 388241557 /nfs/dbraw/zinc/24/15/57/388241557.db2.gz JTVDGLCODNAFMX-BIIVOSGPSA-N 2 0 237.294 0.459 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CC[NH2+][C@@H]1CC ZINC000449610856 388242935 /nfs/dbraw/zinc/24/29/35/388242935.db2.gz SEQNNXPTBMXYEF-IVZWLZJFSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC000449611410 388243163 /nfs/dbraw/zinc/24/31/63/388243163.db2.gz VOOXDTBRAJUNJK-GHMZBOCLSA-N 2 0 229.368 0.960 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000449611415 388243680 /nfs/dbraw/zinc/24/36/80/388243680.db2.gz VPGTUJPVBYOZPI-GXSJLCMTSA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449622301 388244606 /nfs/dbraw/zinc/24/46/06/388244606.db2.gz JTVDGLCODNAFMX-CSMHCCOUSA-N 2 0 237.294 0.459 20 0 BCADRP C[NH+](C)C/C=C\C(=O)NCCCC[NH+](C)C ZINC000491865175 388325217 /nfs/dbraw/zinc/32/52/17/388325217.db2.gz HHNBDLLVUKKDGD-FPLPWBNLSA-N 2 0 227.352 0.562 20 0 BCADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)/C=C\C[NH+](C)C ZINC000491883752 388326264 /nfs/dbraw/zinc/32/62/64/388326264.db2.gz LMIGQTQRNWMPAM-FJOGCWAESA-N 2 0 239.363 0.514 20 0 BCADRP CN(C(=O)/C=C/C[NH+](C)C)[C@H]1CCC[N@H+](C)C1 ZINC000491901825 388327043 /nfs/dbraw/zinc/32/70/43/388327043.db2.gz CHUZCESSFKZCQX-WMADIVHISA-N 2 0 239.363 0.657 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)/C=C/C[NH+](C)C)C1 ZINC000491910863 388327381 /nfs/dbraw/zinc/32/73/81/388327381.db2.gz ZGMFSYQGNWFOGO-WMADIVHISA-N 2 0 239.363 0.705 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)/C=C\C[NH+](C)C)C1 ZINC000491910859 388327475 /nfs/dbraw/zinc/32/74/75/388327475.db2.gz ZGMFSYQGNWFOGO-VFFGBVLKSA-N 2 0 239.363 0.705 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)/C=C/C[NH+](C)C)C1 ZINC000491913629 388327744 /nfs/dbraw/zinc/32/77/44/388327744.db2.gz LSIKQQIYEQHZTB-ITKZLYELSA-N 2 0 239.363 0.562 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)/C=C/C[NH+](C)C ZINC000492058492 388333199 /nfs/dbraw/zinc/33/31/99/388333199.db2.gz PMDNNLNTZFNHCZ-BQYQJAHWSA-N 2 0 241.379 0.952 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646335909 388261720 /nfs/dbraw/zinc/26/17/20/388261720.db2.gz BOAYZLVBGKNJKA-USZNOCQGSA-N 2 0 237.347 0.195 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646335971 388261993 /nfs/dbraw/zinc/26/19/93/388261993.db2.gz DRGZDYMLNUHHSZ-FMSGJZPZSA-N 2 0 249.358 0.196 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336311 388262308 /nfs/dbraw/zinc/26/23/08/388262308.db2.gz NQAQQKDDOVQAEF-GARJFASQSA-N 2 0 237.347 0.195 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646336312 388262560 /nfs/dbraw/zinc/26/25/60/388262560.db2.gz NQAQQKDDOVQAEF-GMTAPVOTSA-N 2 0 237.347 0.195 20 0 BCADRP [NH3+][C@H](C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)C1CCC1 ZINC000646338361 388272120 /nfs/dbraw/zinc/27/21/20/388272120.db2.gz JYWLYSDCTGUFLT-USWWRNFRSA-N 2 0 237.347 0.324 20 0 BCADRP C[NH+](C)C/C=C\C(=O)NCC1=CC[N@H+](C)CC1 ZINC000492324900 388341556 /nfs/dbraw/zinc/34/15/56/388341556.db2.gz SBLUSJCUAGORCC-PLNGDYQASA-N 2 0 237.347 0.482 20 0 BCADRP CC1(C[NH2+]CC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000514673837 256686422 /nfs/dbraw/zinc/68/64/22/256686422.db2.gz RVNRIRRVERYRMY-UHFFFAOYSA-N 3 0 225.380 0.965 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646385249 388348752 /nfs/dbraw/zinc/34/87/52/388348752.db2.gz ZUQGNOOTLZFFIB-WOPDTQHZSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646392207 388349030 /nfs/dbraw/zinc/34/90/30/388349030.db2.gz WAOUYHIIBWJWEV-VIFPVBQESA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]CCNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000516569020 388349527 /nfs/dbraw/zinc/34/95/27/388349527.db2.gz MBSVJLGWPSXNGX-LBPRGKRZSA-N 2 0 233.315 0.209 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)CC(C)(C)[NH3+])C1CC1 ZINC000646424185 388356392 /nfs/dbraw/zinc/35/63/92/388356392.db2.gz JEKWREPZAPHEIV-SNVBAGLBSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CCC[NH3+] ZINC000646427830 388357098 /nfs/dbraw/zinc/35/70/98/388357098.db2.gz UGDLJWDXSKJCRV-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP C[C@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)[NH+](C)C ZINC000646427185 388357223 /nfs/dbraw/zinc/35/72/23/388357223.db2.gz RIRUIVRHMCKNTE-RKDXNWHRSA-N 2 0 213.325 0.051 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000572603497 388360953 /nfs/dbraw/zinc/36/09/53/388360953.db2.gz HHUYRNDVEGIDSY-GVXVVHGQSA-N 2 0 241.379 0.864 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000300366775 388363016 /nfs/dbraw/zinc/36/30/16/388363016.db2.gz GVSGZDGDCZISDY-QJPTWQEYSA-N 2 0 211.353 0.940 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000309547995 388367423 /nfs/dbraw/zinc/36/74/23/388367423.db2.gz CNEMKGABMCXDNI-GFCCVEGCSA-N 2 0 211.353 0.527 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000646494285 388367877 /nfs/dbraw/zinc/36/78/77/388367877.db2.gz DEKHMVXHAHPNKT-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000235424434 388368368 /nfs/dbraw/zinc/36/83/68/388368368.db2.gz AXRKWBIPGXAMKT-WOPDTQHZSA-N 2 0 241.379 0.831 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[NH2+]CC1 ZINC000572719561 388369482 /nfs/dbraw/zinc/36/94/82/388369482.db2.gz BHPIVBXTMBTMJE-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000572713990 388369557 /nfs/dbraw/zinc/36/95/57/388369557.db2.gz RGVIHGZDIJEWJV-SECBINFHSA-N 2 0 245.392 0.325 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000572719336 388370035 /nfs/dbraw/zinc/37/00/35/388370035.db2.gz XBBIVXBKIMKYOB-IJLUTSLNSA-N 2 0 239.363 0.442 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000572719337 388370086 /nfs/dbraw/zinc/37/00/86/388370086.db2.gz XBBIVXBKIMKYOB-UTUOFQBUSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000524652616 388370630 /nfs/dbraw/zinc/37/06/30/388370630.db2.gz VUCZCEOZUWWSCK-UTUOFQBUSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH+](C)CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000193549647 388371395 /nfs/dbraw/zinc/37/13/95/388371395.db2.gz AMRJBAPOWRZTOO-UHFFFAOYSA-N 2 0 241.379 0.973 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000235572114 388371563 /nfs/dbraw/zinc/37/15/63/388371563.db2.gz JASZTQHZGCOSBE-AXFHLTTASA-N 2 0 227.352 0.441 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000519404646 256648629 /nfs/dbraw/zinc/64/86/29/256648629.db2.gz OCYSRSJRVVSOLK-SNVBAGLBSA-N 2 0 248.330 0.711 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000572760867 388374249 /nfs/dbraw/zinc/37/42/49/388374249.db2.gz GNRHGJZPPGJFDJ-OUJBWJOFSA-N 2 0 247.342 0.725 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000646523206 388375021 /nfs/dbraw/zinc/37/50/21/388375021.db2.gz NQYGGEDGCIHUKL-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000646533752 388377525 /nfs/dbraw/zinc/37/75/25/388377525.db2.gz OZVHLPUWSDFJHY-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP [NH3+]CC1(CC(=O)NC2CCC([NH3+])CC2)CC1 ZINC000646664880 388407012 /nfs/dbraw/zinc/40/70/12/388407012.db2.gz YIWZNXLMCXQTRW-UHFFFAOYSA-N 2 0 225.336 0.502 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000236755379 388382355 /nfs/dbraw/zinc/38/23/55/388382355.db2.gz MGGUKHOLZFJOMF-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000572877522 388382817 /nfs/dbraw/zinc/38/28/17/388382817.db2.gz GBOPGJZWPRLBAG-WDEREUQCSA-N 2 0 227.352 0.300 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)[C@H](C)[NH3+] ZINC000572877635 388383206 /nfs/dbraw/zinc/38/32/06/388383206.db2.gz QNMGXVCYYIIRGK-BJDJZHNGSA-N 2 0 241.379 0.802 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(CC2(C[NH3+])CC2)C1 ZINC000572879710 388383339 /nfs/dbraw/zinc/38/33/39/388383339.db2.gz SWSNHQNGLDTCHI-MNOVXSKESA-N 2 0 211.353 0.785 20 0 BCADRP CN(C(=O)CC[C@H]1CC[NH2+]C1)C1CC([NH3+])C1 ZINC000572878518 388383344 /nfs/dbraw/zinc/38/33/44/388383344.db2.gz MRXRSQGRANCARW-WHXUTIOJSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(C)(C)C[NH3+] ZINC000236813840 388383567 /nfs/dbraw/zinc/38/35/67/388383567.db2.gz ZXQXCYRPOICYKF-SNVBAGLBSA-N 2 0 229.368 0.803 20 0 BCADRP CC[NH+](CC)CC(=O)NCCCC[NH3+] ZINC000236841931 388384269 /nfs/dbraw/zinc/38/42/69/388384269.db2.gz IIIGUVFADRFLTP-UHFFFAOYSA-N 2 0 201.314 0.183 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H](C)C[NH2+]C)C(C)C ZINC000236862866 388384936 /nfs/dbraw/zinc/38/49/36/388384936.db2.gz FQAZLSBSZDXSES-LLVKDONJSA-N 2 0 229.368 0.688 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1)C(C)C ZINC000236863909 388385149 /nfs/dbraw/zinc/38/51/49/388385149.db2.gz UEXFMSQOLDKMQG-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP COCC[NH2+]CC(=O)Nc1cccc(C[NH3+])c1 ZINC000646578731 388388683 /nfs/dbraw/zinc/38/86/83/388388683.db2.gz CCNKFPQPMDVPSD-UHFFFAOYSA-N 2 0 237.303 0.320 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000237065085 388388834 /nfs/dbraw/zinc/38/88/34/388388834.db2.gz JCJJZPMNYGAWTG-GHMZBOCLSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000165017085 388389165 /nfs/dbraw/zinc/38/91/65/388389165.db2.gz GMCPABWEOTXCMX-SDDRHHMPSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000178841626 256665263 /nfs/dbraw/zinc/66/52/63/256665263.db2.gz SQCDSBAJOWZSMM-JTQLQIEISA-N 2 0 239.363 0.572 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000237182288 388391050 /nfs/dbraw/zinc/39/10/50/388391050.db2.gz WQGWNBCYSBWFBU-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000646592915 388392065 /nfs/dbraw/zinc/39/20/65/388392065.db2.gz DWJKDVGCLULCAA-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH+](C)C ZINC000646604825 388393365 /nfs/dbraw/zinc/39/33/65/388393365.db2.gz MZLVAYUVQUMEQU-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H](CNC(=O)[C@H](C)[NH+](C)C)C[NH+](C)C ZINC000646605350 388394344 /nfs/dbraw/zinc/39/43/44/388394344.db2.gz UWTROFQRUQGGIS-UWVGGRQHSA-N 2 0 215.341 0.250 20 0 BCADRP [NH3+]C1(CC(=O)NCC2CC[NH2+]CC2)CCC1 ZINC000646615359 388395428 /nfs/dbraw/zinc/39/54/28/388395428.db2.gz JCRHQNSZPSYQOW-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP C[C@@]1(C(=O)N[C@H](C[NH3+])C2CC2)CCC[NH2+]C1 ZINC000237514842 388395752 /nfs/dbraw/zinc/39/57/52/388395752.db2.gz JGTHNWNPADBSIV-ZYHUDNBSSA-N 2 0 225.336 0.230 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)NCC1CC[NH2+]CC1 ZINC000646615343 388396093 /nfs/dbraw/zinc/39/60/93/388396093.db2.gz HCTXVFORZILWJN-NSHDSACASA-N 2 0 239.363 0.492 20 0 BCADRP C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000237561456 388396937 /nfs/dbraw/zinc/39/69/37/388396937.db2.gz RVEFRBQVHMUWCM-QJPTWQEYSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H](NC(=O)[C@H]([NH3+])C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC000572959580 388399040 /nfs/dbraw/zinc/39/90/40/388399040.db2.gz YBBRWMBNBNXBML-MVWJERBFSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000316148300 388406744 /nfs/dbraw/zinc/40/67/44/388406744.db2.gz JIHDYACTXZGIPE-SDDRHHMPSA-N 2 0 212.337 0.864 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000646644570 388400665 /nfs/dbraw/zinc/40/06/65/388400665.db2.gz FMKJWMPUZSYGMU-TUAOUCFPSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000646649663 388401933 /nfs/dbraw/zinc/40/19/33/388401933.db2.gz PWDWWRNJSDKIMM-SFYZADRCSA-N 2 0 235.278 0.227 20 0 BCADRP [NH3+]Cc1cc(C(=O)NC[C@H]2CCCC[NH2+]2)co1 ZINC000646649779 388402142 /nfs/dbraw/zinc/40/21/42/388402142.db2.gz WKUSTRMGHSPHDM-SNVBAGLBSA-N 2 0 237.303 0.610 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)/C=C\C[NH+](C)C ZINC000492284500 388340185 /nfs/dbraw/zinc/34/01/85/388340185.db2.gz RAHSVDGSTJLTLQ-UXFRKABBSA-N 2 0 239.363 0.655 20 0 BCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000646730159 388439694 /nfs/dbraw/zinc/43/96/94/388439694.db2.gz RTZRDSNJVGSZSK-NSHDSACASA-N 2 0 239.363 0.492 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000646730155 388439712 /nfs/dbraw/zinc/43/97/12/388439712.db2.gz RTZRDSNJVGSZSK-LLVKDONJSA-N 2 0 239.363 0.492 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC ZINC000261536114 135171616 /nfs/dbraw/zinc/17/16/16/135171616.db2.gz QKNRZMMCCLXGGF-BDAKNGLRSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000515299409 256740461 /nfs/dbraw/zinc/74/04/61/256740461.db2.gz YAPQZXNKJOWRFW-DCAQKATOSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000405237481 388454375 /nfs/dbraw/zinc/45/43/75/388454375.db2.gz ZIZNCGJVIQNBBH-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+]C[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000336268342 388456059 /nfs/dbraw/zinc/45/60/59/388456059.db2.gz XMGSIBNCRHBOED-GFCCVEGCSA-N 3 0 211.353 0.657 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000626978486 388457566 /nfs/dbraw/zinc/45/75/66/388457566.db2.gz FPMPLMXBRVOLFI-SNVBAGLBSA-N 2 0 240.351 0.213 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CC[NH2+]C1CC1 ZINC000515498111 256748858 /nfs/dbraw/zinc/74/88/58/256748858.db2.gz DSKOWZYGJRGLJY-GIPNMCIBSA-N 2 0 239.363 0.631 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)NCC[NH+]1CCCCC1 ZINC000336715411 388468267 /nfs/dbraw/zinc/46/82/67/388468267.db2.gz PPHSQZHNGZFCRQ-SECBINFHSA-N 2 0 249.305 0.571 20 0 BCADRP CCCCNC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000336726946 388469572 /nfs/dbraw/zinc/46/95/72/388469572.db2.gz VQFGYHMYIZIXOL-SRVKXCTJSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000648852453 388470771 /nfs/dbraw/zinc/47/07/71/388470771.db2.gz GALFENYIJZSCGF-VXGBXAGGSA-N 2 0 241.379 0.737 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@@H](C[NH3+])C1)[C@@H](C)[NH3+] ZINC000646670048 388410048 /nfs/dbraw/zinc/41/00/48/388410048.db2.gz WLUWDQKIBSCKKH-VWYCJHECSA-N 2 0 227.352 0.413 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@H](C[NH3+])C1)[C@H](C)[NH3+] ZINC000646670045 388410286 /nfs/dbraw/zinc/41/02/86/388410286.db2.gz WLUWDQKIBSCKKH-AXFHLTTASA-N 2 0 227.352 0.413 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000646670003 388410655 /nfs/dbraw/zinc/41/06/55/388410655.db2.gz PCDZQUPUWOYGAS-QWRGUYRKSA-N 2 0 225.336 0.326 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000646672082 388411762 /nfs/dbraw/zinc/41/17/62/388411762.db2.gz XMNMSHSABMSTLB-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000646682490 388415058 /nfs/dbraw/zinc/41/50/58/388415058.db2.gz ZXGICALNLODVQD-CYBMUJFWSA-N 2 0 247.342 0.599 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCC[NH2+]1 ZINC000646684458 388415783 /nfs/dbraw/zinc/41/57/83/388415783.db2.gz COEFXADAZNKPEN-QWRGUYRKSA-N 2 0 225.336 0.387 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[NH2+]C1CC1 ZINC000646686831 388416364 /nfs/dbraw/zinc/41/63/64/388416364.db2.gz YLWIQYKQOPEMII-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000646688182 388416975 /nfs/dbraw/zinc/41/69/75/388416975.db2.gz SZOHPJBGGDUQOF-SNVBAGLBSA-N 2 0 239.363 0.844 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)NCC[C@@H]1CC[NH2+]C1 ZINC000646700942 388420007 /nfs/dbraw/zinc/42/00/07/388420007.db2.gz TYCBZYDVZKZVMV-RYUDHWBXSA-N 2 0 239.363 0.634 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NCC[C@@H]2CC[NH2+]C2)o1 ZINC000646699016 388420282 /nfs/dbraw/zinc/42/02/82/388420282.db2.gz OCFQQLDNVUCQGD-VIFPVBQESA-N 2 0 237.303 0.468 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2CCCC[C@@H]2C[NH3+])ccn1 ZINC000573110861 388421071 /nfs/dbraw/zinc/42/10/71/388421071.db2.gz HOEAYKZWENHARE-GFCCVEGCSA-N 2 0 248.330 0.494 20 0 BCADRP Cc1nc2n(n1)CCN(CC[C@@H]1CCC[NH2+]C1)C2 ZINC000573123969 388421858 /nfs/dbraw/zinc/42/18/58/388421858.db2.gz RARHACZIAKUEET-LBPRGKRZSA-N 2 0 249.362 0.792 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[N@H+](CC3CCC3)CCN2C1=O ZINC000573220609 388434187 /nfs/dbraw/zinc/43/41/87/388434187.db2.gz HACRXBOHSUZUSF-WDEREUQCSA-N 2 0 223.320 0.030 20 0 BCADRP CN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000646729214 388438593 /nfs/dbraw/zinc/43/85/93/388438593.db2.gz HPQXZGCMPHDSIW-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+](C)C ZINC000086270644 256779182 /nfs/dbraw/zinc/77/91/82/256779182.db2.gz DAZQSNHFXUPYQW-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)c1c[nH+]ccc1N ZINC000517237945 388544782 /nfs/dbraw/zinc/54/47/82/388544782.db2.gz VDGWELUVSFGDIU-JGVFFNPUSA-N 2 0 222.292 0.350 20 0 BCADRP C[C@@H](C(=O)N(C)CC(C)(C)C[NH3+])[NH+](C)C ZINC000649274190 388486878 /nfs/dbraw/zinc/48/68/78/388486878.db2.gz NFBDOFHQCJOABT-VIFPVBQESA-N 2 0 215.341 0.380 20 0 BCADRP C[C@@H]1CN(C(=O)CC2([NH3+])CCC2)CC[C@H]1[NH3+] ZINC000646762958 388486920 /nfs/dbraw/zinc/48/69/20/388486920.db2.gz MNBJQZLDYMHCDR-NXEZZACHSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000646769930 388493119 /nfs/dbraw/zinc/49/31/19/388493119.db2.gz LHTRWHPMBCRHIW-HBNTYKKESA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]1CCCN(C(=O)CCCC[NH3+])[C@@H]1C[NH3+] ZINC000646770753 388493621 /nfs/dbraw/zinc/49/36/21/388493621.db2.gz CQRNHCOUPYVTFT-WDEREUQCSA-N 2 0 227.352 0.701 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH3+] ZINC000646783279 388501937 /nfs/dbraw/zinc/50/19/37/388501937.db2.gz ZPBOAJVVJGAVMK-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP C[C@@H](O)C[NH+](C)C/C=C/C[N@@H+](C)C[C@@H](C)O ZINC000135601903 388502642 /nfs/dbraw/zinc/50/26/42/388502642.db2.gz WOQQEXFDSULKBT-IEVRTODYSA-N 2 0 230.352 0.168 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000576821495 388506883 /nfs/dbraw/zinc/50/68/83/388506883.db2.gz OLSCSSDYVWQUSO-VPOLOUISSA-N 2 0 242.367 0.409 20 0 BCADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000646796719 388508219 /nfs/dbraw/zinc/50/82/19/388508219.db2.gz RUPQMUPUNLDKBE-OUAUKWLOSA-N 2 0 223.320 0.091 20 0 BCADRP COC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)C1CC1 ZINC000397972561 388513866 /nfs/dbraw/zinc/51/38/66/388513866.db2.gz ULTRBKSYIVBLFH-WDEREUQCSA-N 2 0 200.326 0.984 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)C1CCCC1 ZINC000516750023 388515153 /nfs/dbraw/zinc/51/51/53/388515153.db2.gz ZNRAEFDLEQRMPY-MDZLAQPJSA-N 2 0 237.347 0.372 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000516928048 388526289 /nfs/dbraw/zinc/52/62/89/388526289.db2.gz DELMKURPCDPDAO-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](C)C2)C1 ZINC000564345811 388528574 /nfs/dbraw/zinc/52/85/74/388528574.db2.gz DAEAJZBBGYZEBY-VXGBXAGGSA-N 2 0 239.363 0.396 20 0 BCADRP CC[C@H]1CCN1C[C@H](O)C[N@H+](C)CC ZINC000517038589 388534823 /nfs/dbraw/zinc/53/48/23/388534823.db2.gz HPSVWOBEYATKGR-WDEREUQCSA-N 2 0 200.326 0.783 20 0 BCADRP CC[C@H]1CCN1C[C@@H](O)C[N@H+](C)CC ZINC000517038588 388534943 /nfs/dbraw/zinc/53/49/43/388534943.db2.gz HPSVWOBEYATKGR-QWRGUYRKSA-N 2 0 200.326 0.783 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649303805 388587761 /nfs/dbraw/zinc/58/77/61/388587761.db2.gz HCOIHFRWTWJJSM-NNYUYHANSA-N 2 0 239.363 0.298 20 0 BCADRP C[C@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)[NH+](C)C ZINC000649306077 388590734 /nfs/dbraw/zinc/59/07/34/388590734.db2.gz YTKKHKVKNUXPHT-RKDXNWHRSA-N 2 0 249.305 0.298 20 0 BCADRP CN(CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCNC1=O ZINC000245689107 388598589 /nfs/dbraw/zinc/59/85/89/388598589.db2.gz OWZNLGOPBBLUIY-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCOC1 ZINC000186588684 388601544 /nfs/dbraw/zinc/60/15/44/388601544.db2.gz NTWHMZAGAZQIMV-OLZOCXBDSA-N 2 0 241.379 0.391 20 0 BCADRP CCC(C)(C)CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000646832036 388562520 /nfs/dbraw/zinc/56/25/20/388562520.db2.gz ZZXFPOQUGXTBMD-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000365094232 388564106 /nfs/dbraw/zinc/56/41/06/388564106.db2.gz NPGSRABAVLCKOQ-FXPVBKGRSA-N 2 0 211.309 0.064 20 0 BCADRP C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367602593 388565557 /nfs/dbraw/zinc/56/55/57/388565557.db2.gz UYKFYRWOCVEBEN-IRCOFANPSA-N 2 0 212.337 0.830 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CO)C2CCOCC2)C1 ZINC000521271321 388568337 /nfs/dbraw/zinc/56/83/37/388568337.db2.gz GDLZCHGTYUTKRP-AGIUHOORSA-N 2 0 242.363 0.633 20 0 BCADRP C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368611730 388568922 /nfs/dbraw/zinc/56/89/22/388568922.db2.gz DSROZCGHSRTCBS-DDHJBXDOSA-N 2 0 212.337 0.830 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000649295486 388573133 /nfs/dbraw/zinc/57/31/33/388573133.db2.gz OMEPKWHLZXECRI-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649297539 388575359 /nfs/dbraw/zinc/57/53/59/388575359.db2.gz AMWTUIYQRHXHTL-MLGHIDQZSA-N 2 0 249.358 0.480 20 0 BCADRP CC(C)[C@@H](C(=O)NCC1CC[NH2+]CC1)[NH+](C)C ZINC000522004061 388674190 /nfs/dbraw/zinc/67/41/90/388674190.db2.gz NAHCRBUHKFBLAE-LBPRGKRZSA-N 2 0 241.379 0.688 20 0 BCADRP CO[C@@H](C)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000248413257 388678899 /nfs/dbraw/zinc/67/88/99/388678899.db2.gz FXUPILFFBFSEIT-QWRGUYRKSA-N 2 0 200.326 0.905 20 0 BCADRP C[NH+](C)C[C@](C)(O)C[NH2+]C1CCSCC1 ZINC000125907785 388681453 /nfs/dbraw/zinc/68/14/53/388681453.db2.gz BABNIHYNXSQIBL-LLVKDONJSA-N 2 0 232.393 0.784 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000248491771 388681959 /nfs/dbraw/zinc/68/19/59/388681959.db2.gz OFOAUTAFIAEXLA-IUCAKERBSA-N 2 0 201.314 0.038 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000248491770 388682027 /nfs/dbraw/zinc/68/20/27/388682027.db2.gz OFOAUTAFIAEXLA-BDAKNGLRSA-N 2 0 201.314 0.038 20 0 BCADRP C[C@@H](N[C@H]1CC[NH2+]C12CCC2)C1C[NH2+]C1 ZINC000530217616 388630399 /nfs/dbraw/zinc/63/03/99/388630399.db2.gz UJTHNJIWSPVZKW-KOLCDFICSA-N 2 0 209.337 0.469 20 0 BCADRP CC[N@H+](CC(=O)N(C)CCC[NH+](C)C)C1CC1 ZINC000538314281 388684508 /nfs/dbraw/zinc/68/45/08/388684508.db2.gz CJLQGEYAPHYWRL-UHFFFAOYSA-N 2 0 241.379 0.881 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530220693 388632834 /nfs/dbraw/zinc/63/28/34/388632834.db2.gz CMYZHDINFYATQP-UTUOFQBUSA-N 2 0 227.352 0.224 20 0 BCADRP C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)C1C[NH2+]C1 ZINC000530224360 388633825 /nfs/dbraw/zinc/63/38/25/388633825.db2.gz LPYFWEXHHFPABL-NDCWEZFPSA-N 2 0 212.337 0.996 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1COCCN1 ZINC000530222944 388633930 /nfs/dbraw/zinc/63/39/30/388633930.db2.gz IUIZWDKGAVBJDH-QJPTWQEYSA-N 2 0 227.352 0.082 20 0 BCADRP CCOC[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000530232436 388636292 /nfs/dbraw/zinc/63/62/92/388636292.db2.gz PCVDVVYVKVFQKK-OLZOCXBDSA-N 2 0 242.363 0.723 20 0 BCADRP O[C@@H](C[NH2+]CC1CC=CC1)C[NH+]1CCCC1 ZINC000530236797 388638138 /nfs/dbraw/zinc/63/81/38/388638138.db2.gz RLHYWEFTXZSXCZ-ZDUSSCGKSA-N 2 0 224.348 0.999 20 0 BCADRP [NH3+]CCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530243671 388639154 /nfs/dbraw/zinc/63/91/54/388639154.db2.gz YREKAOXADWTEJH-ZDUSSCGKSA-N 3 0 241.379 0.426 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000551921750 388647675 /nfs/dbraw/zinc/64/76/75/388647675.db2.gz JXNMGFGQIRDKAU-NXEZZACHSA-N 2 0 248.330 0.335 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C[NH+](C)C ZINC000247036876 388657643 /nfs/dbraw/zinc/65/76/43/388657643.db2.gz SRAKONJUVDDNTO-WDEREUQCSA-N 2 0 227.352 0.347 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000128158814 388740249 /nfs/dbraw/zinc/74/02/49/388740249.db2.gz GUNSNIKJYZKMJI-GHMZBOCLSA-N 2 0 227.352 0.713 20 0 BCADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](C)O)C1 ZINC000248648004 388688372 /nfs/dbraw/zinc/68/83/72/388688372.db2.gz JBYBXOCSRLLDNZ-WDEREUQCSA-N 2 0 200.326 0.641 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)C[C@H]1CC[NH2+]C1 ZINC000127665384 388728726 /nfs/dbraw/zinc/72/87/26/388728726.db2.gz NAPDACAVUDOBHB-YPMHNXCESA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000092950437 388822106 /nfs/dbraw/zinc/82/21/06/388822106.db2.gz WQNYABZGDYUFAR-ZYHUDNBSSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCn2ccnc2)CC[N@@H+]1C ZINC000129661885 388863310 /nfs/dbraw/zinc/86/33/10/388863310.db2.gz OYTGZFIXSMDBGO-NWDGAFQWSA-N 2 0 222.336 0.955 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000564586792 388880489 /nfs/dbraw/zinc/88/04/89/388880489.db2.gz SKWRPBSBNTZXOE-SSDOTTSWSA-N 2 0 241.257 0.380 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000564988304 388902617 /nfs/dbraw/zinc/90/26/17/388902617.db2.gz AWXIPHFVSDEHOE-OLZOCXBDSA-N 2 0 242.363 0.723 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000261735297 388881878 /nfs/dbraw/zinc/88/18/78/388881878.db2.gz ORIHFUPZTXAHHN-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000564840873 388892691 /nfs/dbraw/zinc/89/26/91/388892691.db2.gz ZFXDOLALXOMBRA-UKKRHICBSA-N 2 0 227.352 0.603 20 0 BCADRP COC[C@@H](O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC000564859820 388895887 /nfs/dbraw/zinc/89/58/87/388895887.db2.gz ICZVZBSDYJSFBI-ZDUSSCGKSA-N 2 0 244.379 0.849 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000564948507 388899555 /nfs/dbraw/zinc/89/95/55/388899555.db2.gz NFHNWDSIMDPKHD-NXEZZACHSA-N 2 0 245.392 0.325 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000564955984 388900803 /nfs/dbraw/zinc/90/08/03/388900803.db2.gz DTBXLVSFUHBOTN-BJDJZHNGSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000564957294 388901744 /nfs/dbraw/zinc/90/17/44/388901744.db2.gz LJAWFIHXSJFUFO-ZYHUDNBSSA-N 2 0 235.331 0.930 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000564567104 388878673 /nfs/dbraw/zinc/87/86/73/388878673.db2.gz LQUPHQPCZVVPIZ-ATZCPNFKSA-N 2 0 225.336 0.241 20 0 BCADRP CC(C)CN(C(=O)CC[NH3+])C1CC[NH+](C)CC1 ZINC000564992661 388906025 /nfs/dbraw/zinc/90/60/25/388906025.db2.gz ICQWPLQFZWQZFA-UHFFFAOYSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1csc(CC[NH3+])n1 ZINC000564995752 388906303 /nfs/dbraw/zinc/90/63/03/388906303.db2.gz NQOFBHKLZCJZTO-RQJHMYQMSA-N 2 0 242.348 0.110 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000564994148 388906539 /nfs/dbraw/zinc/90/65/39/388906539.db2.gz NNLHJLDZCQHOGT-OUAUKWLOSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000565003544 388908070 /nfs/dbraw/zinc/90/80/70/388908070.db2.gz KSWWKHPHCJCPRY-XSPKLOCKSA-N 2 0 201.314 0.212 20 0 BCADRP CC[C@H](C)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565233678 388929692 /nfs/dbraw/zinc/92/96/92/388929692.db2.gz OJNHYPCGUDIDPF-AXFHLTTASA-N 2 0 225.336 0.276 20 0 BCADRP CN(CCC[NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000565249800 388932585 /nfs/dbraw/zinc/93/25/85/388932585.db2.gz IXBVBPNBDYQSKC-UHFFFAOYSA-N 2 0 242.367 0.366 20 0 BCADRP [NH3+]CCOCCN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000564989455 388904939 /nfs/dbraw/zinc/90/49/39/388904939.db2.gz LMRYWDQQRIYWDD-STQMWFEESA-N 2 0 241.379 0.568 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000565363663 388939162 /nfs/dbraw/zinc/93/91/62/388939162.db2.gz NYPWGKXIVLLITG-CHWSQXEVSA-N 2 0 225.380 0.917 20 0 BCADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000565420102 388943486 /nfs/dbraw/zinc/94/34/86/388943486.db2.gz BPVXGLOHLCEOJC-WOPDTQHZSA-N 2 0 249.358 0.196 20 0 BCADRP [NH3+][C@H](C(=O)NCC1CC[NH2+]CC1)c1ccccc1 ZINC000565480353 388948823 /nfs/dbraw/zinc/94/88/23/388948823.db2.gz YEELNBBBNUTEPD-ZDUSSCGKSA-N 2 0 247.342 0.802 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000565599017 388957075 /nfs/dbraw/zinc/95/70/75/388957075.db2.gz BCKWLKRRWOBDQZ-NSHDSACASA-N 2 0 228.336 0.999 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000565598309 388957105 /nfs/dbraw/zinc/95/71/05/388957105.db2.gz XZLTXFHTGLRXNT-NEPJUHHUSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)CC1(C[NH3+])CC1 ZINC000565831612 388972304 /nfs/dbraw/zinc/97/23/04/388972304.db2.gz AYVRRZNKFNPHCD-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@H+](C)CC1CCOCC1 ZINC000565897821 388977683 /nfs/dbraw/zinc/97/76/83/388977683.db2.gz KFKNLCQSZZGVBD-LBPRGKRZSA-N 2 0 230.352 0.315 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000565948888 388980471 /nfs/dbraw/zinc/98/04/71/388980471.db2.gz LIHSLLSEABUAMO-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH3+] ZINC000566008496 388983672 /nfs/dbraw/zinc/98/36/72/388983672.db2.gz JXYMXKLQINMTPX-LLVKDONJSA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@H]1C[N@H+](CCCn2ccnc2)C[C@H]1O ZINC000272011284 389027938 /nfs/dbraw/zinc/02/79/38/389027938.db2.gz JXQRVGDTQBPELM-NWDGAFQWSA-N 2 0 223.320 0.976 20 0 BCADRP C[C@@H](CNC(=O)C[NH3+])[NH+]1CCC(C)CC1 ZINC000236626621 168185287 /nfs/dbraw/zinc/18/52/87/168185287.db2.gz LCQLJNDZTMJRIA-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062861117 169697808 /nfs/dbraw/zinc/69/78/08/169697808.db2.gz PKDXVFMOQOOSDQ-LBPRGKRZSA-N 2 0 227.352 0.444 20 0 BCADRP CC[NH+]1CCC([NH2+]CCc2nc(C)no2)CC1 ZINC000223811881 535474145 /nfs/dbraw/zinc/47/41/45/535474145.db2.gz TZWZGISYEDVRDU-UHFFFAOYSA-N 2 0 238.335 0.994 20 0 BCADRP C([C@H]1CCOC1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257669143 533377131 /nfs/dbraw/zinc/37/71/31/533377131.db2.gz HZNBWYBUTHUGRT-VXGBXAGGSA-N 2 0 210.321 0.708 20 0 BCADRP Cc1c[nH+]ccc1N1CCC([NH2+]CCO)CC1 ZINC000354459202 132269900 /nfs/dbraw/zinc/26/99/00/132269900.db2.gz DLTYCUUCQDLFJF-UHFFFAOYSA-N 2 0 235.331 0.941 20 0 BCADRP C[NH2+]CCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000044467145 322841967 /nfs/dbraw/zinc/84/19/67/322841967.db2.gz ZCPOQCLLWOZZPF-UHFFFAOYSA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]1C[NH3+])[NH+](C)C ZINC000157689267 133490588 /nfs/dbraw/zinc/49/05/88/133490588.db2.gz BVHONIOSPQITJS-QJPTWQEYSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@@H](C(=O)NCCCC[NH+](C)C)[C@H](C)[NH3+] ZINC000165403546 133657937 /nfs/dbraw/zinc/65/79/37/133657937.db2.gz ALQNSXDUAJJCTB-ZJUUUORDSA-N 2 0 215.341 0.428 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000345787549 133789996 /nfs/dbraw/zinc/78/99/96/133789996.db2.gz ITLGSKLZGVDMEB-GMXVVIOVSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H]1CN(C(=O)C2([NH3+])CCCC2)CC[C@H]1[NH3+] ZINC000335892266 133951991 /nfs/dbraw/zinc/95/19/91/133951991.db2.gz CLYKYTMNVYXLMZ-NXEZZACHSA-N 2 0 225.336 0.454 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000167528504 134003264 /nfs/dbraw/zinc/00/32/64/134003264.db2.gz WXKSXUQFOIJKDD-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@]1(C(=O)N2CCC[C@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000335946096 134019799 /nfs/dbraw/zinc/01/97/99/134019799.db2.gz AQQGMDRPEXATPF-YPMHNXCESA-N 2 0 239.363 0.573 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000336004074 134048361 /nfs/dbraw/zinc/04/83/61/134048361.db2.gz UIPAOEWCPNIXMI-VXGBXAGGSA-N 2 0 239.363 0.572 20 0 BCADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)C1C[NH2+]C1 ZINC000336114255 134087774 /nfs/dbraw/zinc/08/77/74/134087774.db2.gz QKGBMELNUYGYOY-ZDUSSCGKSA-N 2 0 245.326 0.209 20 0 BCADRP O=C([C@H]1CCC[NH2+]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000336167645 134113819 /nfs/dbraw/zinc/11/38/19/134113819.db2.gz RKESEWOBLJOUIM-LLVKDONJSA-N 2 0 237.347 0.341 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CC([NH3+])C1 ZINC000336212079 134134456 /nfs/dbraw/zinc/13/44/56/134134456.db2.gz YGTJJFBKBWGQKY-LXKPXOPUSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)C1CC([NH3+])C1 ZINC000336212000 134134604 /nfs/dbraw/zinc/13/46/04/134134604.db2.gz BOPIGSDIWFYOOC-QYNFOATHSA-N 2 0 239.363 0.807 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](Cc2cncn2C)CC1 ZINC000085170824 134224711 /nfs/dbraw/zinc/22/47/11/134224711.db2.gz RVZJLEFBPVMPHM-JTQLQIEISA-N 2 0 222.336 0.979 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C2([NH3+])CC2)C1 ZINC000169026933 134248802 /nfs/dbraw/zinc/24/88/02/134248802.db2.gz AQJGYHUARXRVER-UWVGGRQHSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000170786932 134254216 /nfs/dbraw/zinc/25/42/16/134254216.db2.gz JMOPRCGYUUJHOU-NXEZZACHSA-N 2 0 211.309 0.078 20 0 BCADRP C([C@@H]1CCCOC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282299 134274754 /nfs/dbraw/zinc/27/47/54/134274754.db2.gz HDJHWINSFNOYIX-SDDRHHMPSA-N 2 0 210.321 0.564 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(CC(=O)NC)C1 ZINC000177033433 134293473 /nfs/dbraw/zinc/29/34/73/134293473.db2.gz UWDPPBLLHORTNS-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H](C)C1C[NH2+]C1)C1CC1 ZINC000219907685 134297163 /nfs/dbraw/zinc/29/71/63/134297163.db2.gz YSTDIDGRFXOWKG-SNVBAGLBSA-N 2 0 239.363 0.442 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000177838533 134303245 /nfs/dbraw/zinc/30/32/45/134303245.db2.gz RNKNOBUKEQSHPR-STQMWFEESA-N 2 0 244.379 0.657 20 0 BCADRP C[NH2+]CCCC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000178291283 134305908 /nfs/dbraw/zinc/30/59/08/134305908.db2.gz TZXGWCQTKLRITK-NSHDSACASA-N 2 0 229.368 0.818 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000178408619 134309966 /nfs/dbraw/zinc/30/99/66/134309966.db2.gz BFNGDJMMEZNFHK-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000178407587 134310195 /nfs/dbraw/zinc/31/01/95/134310195.db2.gz RGCMIHLVNHLCMD-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000178409721 134310198 /nfs/dbraw/zinc/31/01/98/134310198.db2.gz DISCEGYSBKDPQV-ZDUSSCGKSA-N 2 0 247.342 0.897 20 0 BCADRP CN(C(=O)[C@H]([NH3+])c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000178409539 134310279 /nfs/dbraw/zinc/31/02/79/134310279.db2.gz OHWVUWMCNSOOGW-NWDGAFQWSA-N 2 0 233.315 0.507 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747096 134310868 /nfs/dbraw/zinc/31/08/68/134310868.db2.gz KXWJMQVDJAKBMN-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747340 134310883 /nfs/dbraw/zinc/31/08/83/134310883.db2.gz KWCQGQJBKLCGCC-UHFFFAOYSA-N 2 0 239.363 0.811 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178807123 134314855 /nfs/dbraw/zinc/31/48/55/134314855.db2.gz FTORPNIUFBEDBG-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000178818608 134315562 /nfs/dbraw/zinc/31/55/62/134315562.db2.gz VTEVNAGCTAXDQD-GHMZBOCLSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000178860663 134315660 /nfs/dbraw/zinc/31/56/60/134315660.db2.gz ZSDFGVCXHSNLPP-PWSUYJOCSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000178836240 134315864 /nfs/dbraw/zinc/31/58/64/134315864.db2.gz WRQFMAQSJKVKQU-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000178815736 134315875 /nfs/dbraw/zinc/31/58/75/134315875.db2.gz ZMLYDHBTEYQVGX-MXWKQRLJSA-N 2 0 227.352 0.665 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000178867284 134316198 /nfs/dbraw/zinc/31/61/98/134316198.db2.gz IRJGTILJGFOWAD-SCVCMEIPSA-N 2 0 237.347 0.480 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179123271 134317439 /nfs/dbraw/zinc/31/74/39/134317439.db2.gz FBJBAKHHXZUXHO-ZJUUUORDSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000179197061 134318237 /nfs/dbraw/zinc/31/82/37/134318237.db2.gz COSLYYPQMOXGIB-WAAKLRNESA-N 2 0 239.363 0.713 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOCCO)[C@@H](C)C1 ZINC000221794814 134326140 /nfs/dbraw/zinc/32/61/40/134326140.db2.gz ZWTYIDXJACTUMZ-NWDGAFQWSA-N 2 0 230.352 0.315 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000180897509 134332103 /nfs/dbraw/zinc/33/21/03/134332103.db2.gz OWVGIEPDCROBPU-PWSUYJOCSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@@H]1C[C@@H](NC[C@@H](O)C(F)(F)F)CC[N@@H+]1C ZINC000222608302 134333867 /nfs/dbraw/zinc/33/38/67/134333867.db2.gz IBYJUUMRZORNSY-HRDYMLBCSA-N 2 0 240.269 0.982 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000223919517 134343724 /nfs/dbraw/zinc/34/37/24/134343724.db2.gz QINQRFGMXWSBTH-HBNTYKKESA-N 2 0 227.352 0.298 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000224045326 134344405 /nfs/dbraw/zinc/34/44/05/134344405.db2.gz HHPWQHLPGUFKJT-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000224910466 134350591 /nfs/dbraw/zinc/35/05/91/134350591.db2.gz BWOWLWYCQMICCU-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP CC[C@@]1(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CCC[NH2+]1 ZINC000184075052 134357555 /nfs/dbraw/zinc/35/75/55/134357555.db2.gz XBQLLIWWLCYNLL-LOWVWBTDSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000226508600 134364054 /nfs/dbraw/zinc/36/40/54/134364054.db2.gz CYCUXMXHVSZRAI-SRVKXCTJSA-N 2 0 239.363 0.857 20 0 BCADRP C[NH2+]CCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227452886 134380254 /nfs/dbraw/zinc/38/02/54/134380254.db2.gz QDCJJUHYKONMBA-RYUDHWBXSA-N 2 0 211.353 0.764 20 0 BCADRP Cc1noc(C)c1C[NH2+]CCOCC[NH+](C)C ZINC000230004983 134476916 /nfs/dbraw/zinc/47/69/16/134476916.db2.gz JSHAOCBOJMJMJW-UHFFFAOYSA-N 2 0 241.335 0.959 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000230710548 134533983 /nfs/dbraw/zinc/53/39/83/134533983.db2.gz YPSZWMKXPXVOJX-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N(CC)CCC[NH+](C)C ZINC000230711133 134534096 /nfs/dbraw/zinc/53/40/96/134534096.db2.gz ZVLIWEQPFWQSHV-LLVKDONJSA-N 2 0 229.368 0.914 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000230711858 134534111 /nfs/dbraw/zinc/53/41/11/134534111.db2.gz FWRIBRRBEDYZEW-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP C[NH+](C)CCOCC[NH2+]Cc1ccncc1 ZINC000231676484 134543258 /nfs/dbraw/zinc/54/32/58/134543258.db2.gz XPHGVISWTAQZDX-UHFFFAOYSA-N 2 0 223.320 0.749 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000086068259 134580264 /nfs/dbraw/zinc/58/02/64/134580264.db2.gz LRARIBNKLKHSLX-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000049559602 134634277 /nfs/dbraw/zinc/63/42/77/134634277.db2.gz FBUWNCOUGCVJLM-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000155545338 134693882 /nfs/dbraw/zinc/69/38/82/134693882.db2.gz PVHXCVCNWVHJOY-WDEREUQCSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000134547939 134714009 /nfs/dbraw/zinc/71/40/09/134714009.db2.gz LGCIQSKQKLLBRU-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000059931525 134791850 /nfs/dbraw/zinc/79/18/50/134791850.db2.gz JNFGGLDDRHUSFE-SNVBAGLBSA-N 2 0 213.325 0.324 20 0 BCADRP C[NH2+]CCN(C)C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000157076800 134819245 /nfs/dbraw/zinc/81/92/45/134819245.db2.gz ZICHGAHTCCHNPM-NWDGAFQWSA-N 2 0 241.379 0.690 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000237085009 134842157 /nfs/dbraw/zinc/84/21/57/134842157.db2.gz DIFLUYORXPEDJO-CYBMUJFWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248662297 135018270 /nfs/dbraw/zinc/01/82/70/135018270.db2.gz YGRFFFNXUVEJEC-RYUDHWBXSA-N 2 0 212.337 0.785 20 0 BCADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3([NH3+])CCCC3)C[C@H]12 ZINC000248666374 135018389 /nfs/dbraw/zinc/01/83/89/135018389.db2.gz WQJQLLRUZYXTMN-GARJFASQSA-N 2 0 237.347 0.454 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248665841 135018712 /nfs/dbraw/zinc/01/87/12/135018712.db2.gz WIUINXFEVXUODW-NAKRPEOUSA-N 2 0 225.336 0.310 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C[NH3+])C(C)C ZINC000250395336 135053763 /nfs/dbraw/zinc/05/37/63/135053763.db2.gz YNAYMAZDMGLJSQ-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+]CCCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000250863824 135060483 /nfs/dbraw/zinc/06/04/83/135060483.db2.gz QWEZVVVHHNEXEP-GHMZBOCLSA-N 2 0 225.336 0.468 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251309867 135068091 /nfs/dbraw/zinc/06/80/91/135068091.db2.gz JVHKYINWXHRIJD-NWDGAFQWSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCCO1 ZINC000251618346 135072800 /nfs/dbraw/zinc/07/28/00/135072800.db2.gz QEIONKNNNOSPAC-YNEHKIRRSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@@H]1C[N@H+](CCC(=O)N(C)C)CC[C@H]1[NH3+] ZINC000251646577 135073084 /nfs/dbraw/zinc/07/30/84/135073084.db2.gz GEKSOVGSMWNEFB-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251799546 135077489 /nfs/dbraw/zinc/07/74/89/135077489.db2.gz NWPSSCNPVYZVNX-IJLUTSLNSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[NH3+] ZINC000251783166 135078253 /nfs/dbraw/zinc/07/82/53/135078253.db2.gz NAUBAUIABXHOLK-ZJUUUORDSA-N 2 0 211.309 0.030 20 0 BCADRP COCC[N@H+](CCOCC[NH3+])CC(C)C ZINC000086435532 135084090 /nfs/dbraw/zinc/08/40/90/135084090.db2.gz XPQDGUYZZPJOCX-UHFFFAOYSA-N 2 0 218.341 0.566 20 0 BCADRP CC[N@H+](CCOCC[NH3+])C[C@@H]1CCCO1 ZINC000086435490 135084148 /nfs/dbraw/zinc/08/41/48/135084148.db2.gz FCOQCUVWKDNXKU-NSHDSACASA-N 2 0 216.325 0.463 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000086435575 135084462 /nfs/dbraw/zinc/08/44/62/135084462.db2.gz AURJQIBNXXKPOF-GHMZBOCLSA-N 2 0 214.309 0.215 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(CCOCC[NH3+])C1 ZINC000086435735 135084469 /nfs/dbraw/zinc/08/44/69/135084469.db2.gz MLLFCEFTHSORCU-GFCCVEGCSA-N 2 0 229.368 0.378 20 0 BCADRP CC1(C)C[N@H+](CCOCC[NH3+])CCO1 ZINC000086435415 135084776 /nfs/dbraw/zinc/08/47/76/135084776.db2.gz ZRFXLLBLEBZXGL-UHFFFAOYSA-N 2 0 202.298 0.073 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252137365 135085060 /nfs/dbraw/zinc/08/50/60/135085060.db2.gz MSNJCURMHZQZBY-OPRDCNLKSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1COCCO1 ZINC000252385813 135087395 /nfs/dbraw/zinc/08/73/95/135087395.db2.gz KMEHOFPZBWQXGE-FVCCEPFGSA-N 2 0 242.363 0.720 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000252854681 135095249 /nfs/dbraw/zinc/09/52/49/135095249.db2.gz JUOQBGUVCNDDAV-BBBLOLIVSA-N 2 0 215.341 0.426 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000252709801 135099566 /nfs/dbraw/zinc/09/95/66/135099566.db2.gz DWIFAELSDXRBIG-RNJOBUHISA-N 2 0 242.363 0.863 20 0 BCADRP C[C@H](O)CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252712051 135100079 /nfs/dbraw/zinc/10/00/79/135100079.db2.gz LIKSHQMZLVBYJP-VWYCJHECSA-N 2 0 200.326 0.687 20 0 BCADRP C[C@@H](CN[C@@H]1CC[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000252714823 135101853 /nfs/dbraw/zinc/10/18/53/135101853.db2.gz TUTPJNIVOOPGBE-GRYCIOLGSA-N 2 0 213.369 0.866 20 0 BCADRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[NH3+] ZINC000086930512 135102553 /nfs/dbraw/zinc/10/25/53/135102553.db2.gz RXUIICOHDKVPIY-NXEZZACHSA-N 2 0 211.309 0.030 20 0 BCADRP CC(C)(O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252847527 135112756 /nfs/dbraw/zinc/11/27/56/135112756.db2.gz GDTXBXRXPAQOPM-DCAQKATOSA-N 2 0 212.337 0.817 20 0 BCADRP CC(C)(O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252847529 135113339 /nfs/dbraw/zinc/11/33/39/135113339.db2.gz GDTXBXRXPAQOPM-GARJFASQSA-N 2 0 212.337 0.817 20 0 BCADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000252961122 135118037 /nfs/dbraw/zinc/11/80/37/135118037.db2.gz NYWPMZZRILMBFW-UPJWGTAASA-N 2 0 243.395 0.683 20 0 BCADRP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000262637739 135120258 /nfs/dbraw/zinc/12/02/58/135120258.db2.gz QPKKDBWWTZNWSJ-GHMZBOCLSA-N 2 0 227.352 0.393 20 0 BCADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@H]1O ZINC000253184643 135123291 /nfs/dbraw/zinc/12/32/91/135123291.db2.gz JYEJKDLJDFXJEV-ZYHUDNBSSA-N 2 0 212.337 0.689 20 0 BCADRP CN(C[C@H]1CCC[N@H+](C)C1)CC(C)(C)[NH3+] ZINC000258701935 135133488 /nfs/dbraw/zinc/13/34/88/135133488.db2.gz CDTLEIAVWXBOJF-NSHDSACASA-N 2 0 213.369 0.997 20 0 BCADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000257697830 135140178 /nfs/dbraw/zinc/14/01/78/135140178.db2.gz NLFJEJOSPQIOQD-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC[NH2+]CC ZINC000261530797 135158778 /nfs/dbraw/zinc/15/87/78/135158778.db2.gz DDBBZESOTINKEE-JTQLQIEISA-N 2 0 201.314 0.230 20 0 BCADRP OCC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000087647755 135161356 /nfs/dbraw/zinc/16/13/56/135161356.db2.gz FJHUOXOJDQBGNG-GFCCVEGCSA-N 2 0 212.337 0.690 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC([NH3+])(CC)CC ZINC000261532096 135161613 /nfs/dbraw/zinc/16/16/13/135161613.db2.gz JCKIWZJTYLGQMG-QMMMGPOBSA-N 2 0 201.314 0.357 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H](C)[NH3+] ZINC000261533873 135166088 /nfs/dbraw/zinc/16/60/88/135166088.db2.gz LNOAMCKVHPOMPK-WPRPVWTQSA-N 2 0 201.314 0.213 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC ZINC000261536115 135171080 /nfs/dbraw/zinc/17/10/80/135171080.db2.gz QKNRZMMCCLXGGF-IUCAKERBSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@H]1CO ZINC000261536668 135171822 /nfs/dbraw/zinc/17/18/22/135171822.db2.gz SKUVSBUDJUYXEC-PWSUYJOCSA-N 2 0 212.337 0.689 20 0 BCADRP CC1(C)CCCN1Cc1noc(CN)n1 ZINC000261538320 135175286 /nfs/dbraw/zinc/17/52/86/135175286.db2.gz XSASQXPUAPVNCL-UHFFFAOYSA-N 2 0 210.281 0.903 20 0 BCADRP C[C@@H](O)C[C@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000261538573 135176079 /nfs/dbraw/zinc/17/60/79/135176079.db2.gz YPZASNNSXXQWSF-NXEZZACHSA-N 2 0 200.326 0.959 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000261539259 135177631 /nfs/dbraw/zinc/17/76/31/135177631.db2.gz BYKUPXSJIBEBPF-SCZZXKLOSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000261539261 135177670 /nfs/dbraw/zinc/17/76/70/135177670.db2.gz BYKUPXSJIBEBPF-WPRPVWTQSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000261540144 135179328 /nfs/dbraw/zinc/17/93/28/135179328.db2.gz DWKWFORBWOYJLU-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCOC1 ZINC000261541983 135181826 /nfs/dbraw/zinc/18/18/26/135181826.db2.gz GFXQQFIBKDJPIF-SDDRHHMPSA-N 2 0 210.321 0.564 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H]1CCC[NH2+]C1 ZINC000261541762 135182120 /nfs/dbraw/zinc/18/21/20/135182120.db2.gz GETRFOAAFYPUNB-GRYCIOLGSA-N 2 0 211.353 0.668 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+](C)C ZINC000261542934 135183393 /nfs/dbraw/zinc/18/33/93/135183393.db2.gz HGSMODCCPVYXEW-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN(C)C[C@H]2C)C1 ZINC000261543522 135184881 /nfs/dbraw/zinc/18/48/81/135184881.db2.gz UAUSAVAFGFJIHW-UTUOFQBUSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000261543936 135184945 /nfs/dbraw/zinc/18/49/45/135184945.db2.gz IIEKDBDDRBKKMB-IUCAKERBSA-N 2 0 215.341 0.413 20 0 BCADRP COCC[C@](C)(O)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000261543578 135184965 /nfs/dbraw/zinc/18/49/65/135184965.db2.gz UTRMNSBNZXJYCE-AVGNSLFASA-N 2 0 244.379 0.881 20 0 BCADRP CN(C(=O)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CC1 ZINC000261548891 135187663 /nfs/dbraw/zinc/18/76/63/135187663.db2.gz JYAKGNFFLIHRLE-PWSUYJOCSA-N 2 0 237.347 0.291 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000084181751 135190397 /nfs/dbraw/zinc/19/03/97/135190397.db2.gz GMMKDJIHIMBLBX-LLVKDONJSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H]1COCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261554435 135194793 /nfs/dbraw/zinc/19/47/93/135194793.db2.gz UDTSYQFRZTYYOI-NSHDSACASA-N 2 0 212.337 0.954 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH3+])C1 ZINC000261555487 135195258 /nfs/dbraw/zinc/19/52/58/135195258.db2.gz VBTPBPFKXVDSAC-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000261558558 135199737 /nfs/dbraw/zinc/19/97/37/135199737.db2.gz YLCHSNKGOSQXPL-GRYCIOLGSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H](O)[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261560373 135201516 /nfs/dbraw/zinc/20/15/16/135201516.db2.gz ZULZKWFFQGOQOA-QJPTWQEYSA-N 2 0 212.337 0.689 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000261562694 135204703 /nfs/dbraw/zinc/20/47/03/135204703.db2.gz BNMYPXDTMWHSKE-LPEHRKFASA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+]CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000261575487 135216919 /nfs/dbraw/zinc/21/69/19/135216919.db2.gz JUQDZWCOIIMLGX-AAEUAGOBSA-N 2 0 223.364 0.894 20 0 BCADRP CNC(=O)[C@H]1CCCN(CC(C)(C)[NH3+])C1 ZINC000261576326 135217661 /nfs/dbraw/zinc/21/76/61/135217661.db2.gz KGULJSJDXRVCPU-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)CC[C@@H](C)[NH3+] ZINC000261578908 135219876 /nfs/dbraw/zinc/21/98/76/135219876.db2.gz LZOYYVZOZOSQBB-ZJUUUORDSA-N 2 0 215.341 0.603 20 0 BCADRP [NH3+][C@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000261579185 135220006 /nfs/dbraw/zinc/22/00/06/135220006.db2.gz MEIMACNNJLUJSD-LBPRGKRZSA-N 2 0 211.353 0.799 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCOCC(F)F ZINC000261583271 135224231 /nfs/dbraw/zinc/22/42/31/135224231.db2.gz OWYYJVTVRPYXHO-DTWKUNHWSA-N 2 0 222.279 0.937 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOCC(F)F ZINC000261583270 135224419 /nfs/dbraw/zinc/22/44/19/135224419.db2.gz OWYYJVTVRPYXHO-BDAKNGLRSA-N 2 0 222.279 0.937 20 0 BCADRP C[C@H]([NH3+])CN1CC[NH2+]CC12CCCCC2 ZINC000261588262 135228997 /nfs/dbraw/zinc/22/89/97/135228997.db2.gz SHLMEJVMXOAFOH-NSHDSACASA-N 2 0 211.353 0.942 20 0 BCADRP c1cnn(CC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261590312 135231101 /nfs/dbraw/zinc/23/11/01/135231101.db2.gz UMFQIVHIEUBDHO-LBPRGKRZSA-N 2 0 220.320 0.569 20 0 BCADRP C[C@@H]([NH3+])CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000261591687 135232027 /nfs/dbraw/zinc/23/20/27/135232027.db2.gz VMDBDEWNDUFIPB-ZYHUDNBSSA-N 2 0 211.353 0.655 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000261595749 135235985 /nfs/dbraw/zinc/23/59/85/135235985.db2.gz YKGXWAKKDVVGJX-LPEHRKFASA-N 2 0 213.325 0.310 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000261598976 135236661 /nfs/dbraw/zinc/23/66/61/135236661.db2.gz ZQOBMEBPKTYWMB-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[C@H](C)[NH3+] ZINC000261547089 135239513 /nfs/dbraw/zinc/23/95/13/135239513.db2.gz LUJVSUVQHUJLFG-RGOKHQFPSA-N 2 0 213.325 0.179 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000261547594 135240842 /nfs/dbraw/zinc/24/08/42/135240842.db2.gz MOPJEKJYSCMILW-AEJSXWLSSA-N 2 0 215.341 0.474 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CC[NH2+]C ZINC000261547746 135240866 /nfs/dbraw/zinc/24/08/66/135240866.db2.gz MRIFFGVBYCPVJJ-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000261674101 135245334 /nfs/dbraw/zinc/24/53/34/135245334.db2.gz JHTUYAPGDSKJPT-JLLWLGSASA-N 2 0 237.347 0.337 20 0 BCADRP C[NH+](C)C1(CNC2=[NH+]CCCN2)CCCC1 ZINC000261693584 135245821 /nfs/dbraw/zinc/24/58/21/135245821.db2.gz BOZUQWJYUBFEQV-UHFFFAOYSA-N 2 0 224.352 0.800 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000261685503 135245870 /nfs/dbraw/zinc/24/58/70/135245870.db2.gz CCGQXSLIMZQNKT-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1CO ZINC000261693638 135245971 /nfs/dbraw/zinc/24/59/71/135245971.db2.gz BPQSFNSFNGIRRA-WOPDTQHZSA-N 2 0 212.337 0.546 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261719119 135247520 /nfs/dbraw/zinc/24/75/20/135247520.db2.gz CIBLXLXPHZSXKL-GFCCVEGCSA-N 2 0 227.352 0.524 20 0 BCADRP COC(=O)[C@@]1(C)CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261716677 135247686 /nfs/dbraw/zinc/24/76/86/135247686.db2.gz FFKNHJZTGJLLBK-OLZOCXBDSA-N 2 0 240.347 0.871 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261729588 135248064 /nfs/dbraw/zinc/24/80/64/135248064.db2.gz HPLGOEBNVHXRLH-NNYUYHANSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261729587 135248562 /nfs/dbraw/zinc/24/85/62/135248562.db2.gz HPLGOEBNVHXRLH-KXNHARMFSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000084420034 135249188 /nfs/dbraw/zinc/24/91/88/135249188.db2.gz OYTUXWGYZREOHX-VIFPVBQESA-N 2 0 213.325 0.276 20 0 BCADRP C[C@H]1CCC[N@H+](CCNC2=[NH+]CCCN2)C1 ZINC000261749536 135249946 /nfs/dbraw/zinc/24/99/46/135249946.db2.gz JPZAGQUANARWFH-NSHDSACASA-N 2 0 224.352 0.657 20 0 BCADRP C[C@]1(C[N@@H+]2CC[C@](C)(C(N)=O)C2)CC[NH2+]C1 ZINC000261772832 135251694 /nfs/dbraw/zinc/25/16/94/135251694.db2.gz MWNFWAOEOSJXDL-RYUDHWBXSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261811339 135254475 /nfs/dbraw/zinc/25/44/75/135254475.db2.gz HREOSDDXRROIIQ-IJLUTSLNSA-N 2 0 239.363 0.429 20 0 BCADRP COCCN(C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCOC1 ZINC000261875137 135259283 /nfs/dbraw/zinc/25/92/83/135259283.db2.gz POTSMMIMBLARCW-OLZOCXBDSA-N 2 0 242.363 0.723 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000261871363 135259344 /nfs/dbraw/zinc/25/93/44/135259344.db2.gz QRUQHTRXGNOSKN-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261900090 135261055 /nfs/dbraw/zinc/26/10/55/135261055.db2.gz YVSGLVHKLAHNFD-QXEWZRGKSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261900148 135261099 /nfs/dbraw/zinc/26/10/99/135261099.db2.gz WEPKZRQXWOBHLQ-UTLUCORTSA-N 2 0 213.325 0.310 20 0 BCADRP CNC(=O)[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261925970 135263345 /nfs/dbraw/zinc/26/33/45/135263345.db2.gz CFHWTKRDQSEXFZ-DGCLKSJQSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH+]1CCC(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000261974500 135268064 /nfs/dbraw/zinc/26/80/64/135268064.db2.gz UZESHQWMUVRDMR-LLVKDONJSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@]1(C[N@@H+]2CCC[C@@H](OCCO)C2)CC[NH2+]C1 ZINC000261980319 135268691 /nfs/dbraw/zinc/26/86/91/135268691.db2.gz JCHNLJYVEHMOLC-CHWSQXEVSA-N 2 0 242.363 0.459 20 0 BCADRP COC(=O)[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262005273 135271242 /nfs/dbraw/zinc/27/12/42/135271242.db2.gz LSEWAZVWZQDMLY-JQWIXIFHSA-N 2 0 226.320 0.481 20 0 BCADRP COC(=O)[C@H](C)C[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261999387 135271480 /nfs/dbraw/zinc/27/14/80/135271480.db2.gz LELBTJJVJWJBKL-PWSUYJOCSA-N 2 0 228.336 0.727 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000262070840 135277260 /nfs/dbraw/zinc/27/72/60/135277260.db2.gz SLAINNHHSXYAIS-LBPRGKRZSA-N 2 0 227.352 0.526 20 0 BCADRP C[C@]1(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)CC[NH2+]C1 ZINC000262075426 135277475 /nfs/dbraw/zinc/27/74/75/135277475.db2.gz SODZOHCUBWVQPD-AAEUAGOBSA-N 2 0 239.363 0.573 20 0 BCADRP C[N@H+](CCn1cccn1)C[C@]1(C)CC[NH2+]C1 ZINC000262092180 135278457 /nfs/dbraw/zinc/27/84/57/135278457.db2.gz UWESPQHJJKPSRE-GFCCVEGCSA-N 2 0 222.336 0.815 20 0 BCADRP C[N@H+](CCn1cccn1)C[C@@]1(C)CC[NH2+]C1 ZINC000262092181 135279034 /nfs/dbraw/zinc/27/90/34/135279034.db2.gz UWESPQHJJKPSRE-LBPRGKRZSA-N 2 0 222.336 0.815 20 0 BCADRP C[C@]1(C[NH+]2CCC(C(N)=O)CC2)CC[NH2+]C1 ZINC000262123891 135280724 /nfs/dbraw/zinc/28/07/24/135280724.db2.gz XOQZKWHUJPUYSI-LBPRGKRZSA-N 2 0 225.336 0.183 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C1C[NH2+]C1)C1CCCCC1 ZINC000262170421 135283876 /nfs/dbraw/zinc/28/38/76/135283876.db2.gz CGOJGGRSMJQMJM-LLVKDONJSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262178076 135284030 /nfs/dbraw/zinc/28/40/30/135284030.db2.gz WFMOUWWEYKYKMI-UPJWGTAASA-N 2 0 223.364 0.622 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@](C)(C[NH3+])C1)[NH+](C)C ZINC000262187231 135284982 /nfs/dbraw/zinc/28/49/82/135284982.db2.gz ZKERIBJVXGVVPZ-DGCLKSJQSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262227170 135286407 /nfs/dbraw/zinc/28/64/07/135286407.db2.gz NHBMSIGPEBSQFP-JTQLQIEISA-N 2 0 225.336 0.278 20 0 BCADRP Cc1nccn1CC[N@H+](CC(N)=O)C(C)C ZINC000342560488 135288880 /nfs/dbraw/zinc/28/88/80/135288880.db2.gz ZDTDZLLOXRRQQA-UHFFFAOYSA-N 2 0 224.308 0.387 20 0 BCADRP O=C(C1C[NH2+]C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000262276715 135289815 /nfs/dbraw/zinc/28/98/15/135289815.db2.gz UURQPUCPNBMRQW-UHFFFAOYSA-N 2 0 237.347 0.196 20 0 BCADRP C(C1CC[NH2+]CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262306064 135292266 /nfs/dbraw/zinc/29/22/66/135292266.db2.gz YFCBXBHWPFSDFN-OLZOCXBDSA-N 2 0 223.364 0.812 20 0 BCADRP C[NH2+]CCC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000262304519 135292333 /nfs/dbraw/zinc/29/23/33/135292333.db2.gz CAKGYDYCTQQQNE-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000262441540 135299180 /nfs/dbraw/zinc/29/91/80/135299180.db2.gz UYSQCJYCUYFOEG-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP CC(C)C[N@@H+]1CC[C@H](CNC2=[NH+]CCCN2)C1 ZINC000262461395 135300049 /nfs/dbraw/zinc/30/00/49/135300049.db2.gz XQEJZBPOLWSMME-GFCCVEGCSA-N 2 0 238.379 0.903 20 0 BCADRP CC(C)[C@@H](C(=O)NC1CC[NH2+]CC1)[NH+](C)C ZINC000262494706 135302467 /nfs/dbraw/zinc/30/24/67/135302467.db2.gz BQPDSLKPMRKQIG-NSHDSACASA-N 2 0 227.352 0.441 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH3+])CCC1 ZINC000342607709 135302960 /nfs/dbraw/zinc/30/29/60/135302960.db2.gz OJJOEVCCYYTIDA-GHMZBOCLSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262543755 135304972 /nfs/dbraw/zinc/30/49/72/135304972.db2.gz UCMSQNKMLUDLKM-MMWGEVLESA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262543759 135305232 /nfs/dbraw/zinc/30/52/32/135305232.db2.gz UCMSQNKMLUDLKM-ZDCRXTMVSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)C[NH2+]CC1CC1)C1CC1 ZINC000262605786 135308006 /nfs/dbraw/zinc/30/80/06/135308006.db2.gz BPWZEGZNAQUHDO-LBPRGKRZSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+]C[C@H](NC(=O)C1([NH3+])CC1)C1CCCCC1 ZINC000262601524 135308136 /nfs/dbraw/zinc/30/81/36/135308136.db2.gz PIDWRKZDRGYTOY-JTQLQIEISA-N 2 0 225.336 0.502 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC(C)C ZINC000262596518 135308177 /nfs/dbraw/zinc/30/81/77/135308177.db2.gz KZWFCRYUTXMTPR-MNOVXSKESA-N 2 0 229.368 0.994 20 0 BCADRP C(CC[NH+]1CCOCC1)CC[NH+]1CCOCC1 ZINC000079364018 135308977 /nfs/dbraw/zinc/30/89/77/135308977.db2.gz XZZMJRSDPRIVGX-UHFFFAOYSA-N 2 0 242.363 0.821 20 0 BCADRP CC(C)[C@H](C(=O)N(C)[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000262637745 135310497 /nfs/dbraw/zinc/31/04/97/135310497.db2.gz QPKKDBWWTZNWSJ-WDEREUQCSA-N 2 0 227.352 0.393 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262647564 135311042 /nfs/dbraw/zinc/31/10/42/135311042.db2.gz TUWPOIKJYNCULT-OUAUKWLOSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000342751268 135311074 /nfs/dbraw/zinc/31/10/74/135311074.db2.gz NOOUBZUWLYYZKQ-IJLUTSLNSA-N 2 0 241.379 0.864 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342752397 135311237 /nfs/dbraw/zinc/31/12/37/135311237.db2.gz ONPGZGZMKDEWIG-USZNOCQGSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000342750100 135311268 /nfs/dbraw/zinc/31/12/68/135311268.db2.gz KZMQOZGMBASDDG-BJDJZHNGSA-N 2 0 239.363 0.618 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000262651300 135311309 /nfs/dbraw/zinc/31/13/09/135311309.db2.gz XPPKRQIIJMJSOW-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1C ZINC000262707852 135314324 /nfs/dbraw/zinc/31/43/24/135314324.db2.gz BYEQODHXNKXILT-NNYUYHANSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH2+]C1 ZINC000342723854 135314880 /nfs/dbraw/zinc/31/48/80/135314880.db2.gz UGWMMTYFOXNVQA-JTQLQIEISA-N 2 0 213.325 0.052 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000262710839 135314999 /nfs/dbraw/zinc/31/49/99/135314999.db2.gz QHMOIPPRBLICND-NSHDSACASA-N 2 0 237.347 0.422 20 0 BCADRP C[NH2+]CC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000262730052 135315743 /nfs/dbraw/zinc/31/57/43/135315743.db2.gz CTNIPTFNPSFOKI-GFCCVEGCSA-N 2 0 239.363 0.396 20 0 BCADRP C[NH2+]CCCC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000262781444 135318521 /nfs/dbraw/zinc/31/85/21/135318521.db2.gz YCBJAEPIHIBGKO-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000262828990 135321171 /nfs/dbraw/zinc/32/11/71/135321171.db2.gz URFRQANPOQSWRB-AXFHLTTASA-N 2 0 225.336 0.337 20 0 BCADRP CC[NH+](CC)CCOC1CCN(CC[NH3+])CC1 ZINC000262987417 135325952 /nfs/dbraw/zinc/32/59/52/135325952.db2.gz NGULZEFDUQOXIS-UHFFFAOYSA-N 3 0 243.395 0.768 20 0 BCADRP C[C@H]([NH3+])C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000334324068 135353398 /nfs/dbraw/zinc/35/33/98/135353398.db2.gz KFZWAAYTEUDKQK-ZETCQYMHSA-N 2 0 237.278 0.757 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000164479689 135359826 /nfs/dbraw/zinc/35/98/26/135359826.db2.gz FYYWDUIURYEGGR-WDEREUQCSA-N 2 0 241.379 0.688 20 0 BCADRP [NH3+]CCC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334377409 135377962 /nfs/dbraw/zinc/37/79/62/135377962.db2.gz GBRBEAQQDMTACP-NSHDSACASA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC[N@H+](C)CC1)[NH+](C)C ZINC000334381975 135381471 /nfs/dbraw/zinc/38/14/71/135381471.db2.gz KBAGYQMDCUQXAE-GFCCVEGCSA-N 2 0 241.379 0.737 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000334388925 135385041 /nfs/dbraw/zinc/38/50/41/135385041.db2.gz RFQHXEOXUIIIQG-SECBINFHSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000334399519 135389148 /nfs/dbraw/zinc/38/91/48/135389148.db2.gz FDDGXJRLYNGIHI-GFCCVEGCSA-N 2 0 239.363 0.703 20 0 BCADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1 ZINC000093676937 135603136 /nfs/dbraw/zinc/60/31/36/135603136.db2.gz OAQBUUUDOAHOPP-YOGCLGLASA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)C1CC([NH3+])C1 ZINC000334933949 135844835 /nfs/dbraw/zinc/84/48/35/135844835.db2.gz JLKWGDNGKQLYOC-SFXRXQKFSA-N 2 0 240.351 0.116 20 0 BCADRP [NH3+]C1(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000334988427 135859213 /nfs/dbraw/zinc/85/92/13/135859213.db2.gz WWEGJTAZAYTALC-LLVKDONJSA-N 2 0 223.320 0.080 20 0 BCADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC[NH3+] ZINC000335293909 136004953 /nfs/dbraw/zinc/00/49/53/136004953.db2.gz HKPMYWVBMOLKHP-WDEREUQCSA-N 2 0 240.351 0.213 20 0 BCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[NH3+] ZINC000335293640 136004994 /nfs/dbraw/zinc/00/49/94/136004994.db2.gz FNCALCBVGYZMJX-MNOVXSKESA-N 2 0 240.351 0.213 20 0 BCADRP C[C@H](C[S@](C)=O)[N@H+](C)CCc1cncn1C ZINC000347797327 136010128 /nfs/dbraw/zinc/01/01/28/136010128.db2.gz YJCJCTQDYALESF-HWPZZCPQSA-N 2 0 243.376 0.661 20 0 BCADRP Cc1ccnc(N2CCN3CCOC[C@@H]3C2)c1 ZINC000347889776 136015314 /nfs/dbraw/zinc/01/53/14/136015314.db2.gz XKSLTRINILDALO-LBPRGKRZSA-N 2 0 233.315 0.911 20 0 BCADRP C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@@H]1C=C[C@@H](CO)C1 ZINC000348069702 136026369 /nfs/dbraw/zinc/02/63/69/136026369.db2.gz HXWDTMBLRKGART-LPWJVIDDSA-N 2 0 224.348 0.853 20 0 BCADRP C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@H]1C=C[C@H](CO)C1 ZINC000348069705 136026593 /nfs/dbraw/zinc/02/65/93/136026593.db2.gz HXWDTMBLRKGART-VOAKCMCISA-N 2 0 224.348 0.853 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335308165 136027748 /nfs/dbraw/zinc/02/77/48/136027748.db2.gz HKDMUDZWULUEMD-JTQLQIEISA-N 2 0 242.367 0.363 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000335347051 136067236 /nfs/dbraw/zinc/06/72/36/136067236.db2.gz QYVCVBGXKPVPEM-NXEZZACHSA-N 2 0 225.336 0.502 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000335350331 136068486 /nfs/dbraw/zinc/06/84/86/136068486.db2.gz USJIUVVYXIGDQO-GFCCVEGCSA-N 2 0 248.330 0.388 20 0 BCADRP C[C@H]1CCN(C(=O)NCC(C)(C)[NH3+])[C@@H](C[NH3+])C1 ZINC000335361831 136081332 /nfs/dbraw/zinc/08/13/32/136081332.db2.gz WXZDSNJFMGZEQI-VHSXEESVSA-N 2 0 242.367 0.493 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335368191 136081913 /nfs/dbraw/zinc/08/19/13/136081913.db2.gz TWWZXZBCLFOKDB-UWVGGRQHSA-N 2 0 242.367 0.506 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC1CC[NH2+]CC1 ZINC000335378084 136086237 /nfs/dbraw/zinc/08/62/37/136086237.db2.gz CBSXZTJVJZZZCJ-CMPLNLGQSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000335379127 136087103 /nfs/dbraw/zinc/08/71/03/136087103.db2.gz HFDGQGIJEJNPOU-GXSJLCMTSA-N 2 0 225.336 0.243 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000335380577 136087524 /nfs/dbraw/zinc/08/75/24/136087524.db2.gz NKWFGZQEJBCDBM-NWDGAFQWSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@H]1CN(C(=O)c2ccc3c(c2)C[NH2+]C3)C[C@@H]1[NH3+] ZINC000335383240 136088208 /nfs/dbraw/zinc/08/82/08/136088208.db2.gz ADVRLBBPOVXOGZ-ZANVPECISA-N 2 0 245.326 0.709 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000335389048 136089922 /nfs/dbraw/zinc/08/99/22/136089922.db2.gz HOJKBKFDTAFJFX-DGCLKSJQSA-N 2 0 245.326 0.433 20 0 BCADRP [NH3+]CCC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000335394210 136091683 /nfs/dbraw/zinc/09/16/83/136091683.db2.gz DQCCJPCJTIMHOI-WDEREUQCSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000335395775 136092614 /nfs/dbraw/zinc/09/26/14/136092614.db2.gz KJBSXULNJMXPBQ-GXSJLCMTSA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CCCC1 ZINC000335397088 136092980 /nfs/dbraw/zinc/09/29/80/136092980.db2.gz UVBVLKVJTKWYQD-GFCCVEGCSA-N 2 0 237.347 0.612 20 0 BCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)C[NH3+] ZINC000335562679 136106548 /nfs/dbraw/zinc/10/65/48/136106548.db2.gz KNFHWIPQDVFQMY-MNOVXSKESA-N 2 0 227.352 0.380 20 0 BCADRP CN1CCC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1=O ZINC000335566408 136107988 /nfs/dbraw/zinc/10/79/88/136107988.db2.gz UDQAPPZVDYQOPL-HTAVTVPLSA-N 2 0 239.363 0.714 20 0 BCADRP CC1(C)CN(C(=O)CC[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000335598491 136113884 /nfs/dbraw/zinc/11/38/84/136113884.db2.gz KKYPICKXXSIXKV-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)C[C@@H](C)[NH2+]1 ZINC000644087171 397754381 /nfs/dbraw/zinc/75/43/81/397754381.db2.gz HSQGSZIDNJAQPI-BBBLOLIVSA-N 2 0 225.336 0.193 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1)C(C)C ZINC000446361579 397947751 /nfs/dbraw/zinc/94/77/51/397947751.db2.gz CRPKZVUGDHQVJB-WDEREUQCSA-N 2 0 245.342 0.533 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000446361218 397947787 /nfs/dbraw/zinc/94/77/87/397947787.db2.gz YZKCFKPIIMPVKR-NHCYSSNCSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000449556472 397955797 /nfs/dbraw/zinc/95/57/97/397955797.db2.gz NGIJDPOWQONDHY-IRCOFANPSA-N 2 0 239.363 0.428 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC[N@H+](C)CC ZINC000054133347 397903462 /nfs/dbraw/zinc/90/34/62/397903462.db2.gz AJBYAFPWFHMKST-NSHDSACASA-N 2 0 215.341 0.572 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000418202502 397992016 /nfs/dbraw/zinc/99/20/16/397992016.db2.gz IYIASUHWAILAPB-JTQLQIEISA-N 2 0 244.383 0.753 20 0 BCADRP CN(CC[NH+](C)C)C(=O)NCCC[NH2+]C1CC1 ZINC000418284730 397999737 /nfs/dbraw/zinc/99/97/37/397999737.db2.gz NFIFFZMUZLWOPX-UHFFFAOYSA-N 2 0 242.367 0.332 20 0 BCADRP C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000164995869 398001421 /nfs/dbraw/zinc/00/14/21/398001421.db2.gz PYPCRECCRQFSHS-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP COC[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000414705222 398021598 /nfs/dbraw/zinc/02/15/98/398021598.db2.gz NSCOJXBHMGSBRK-AVGNSLFASA-N 2 0 242.363 0.722 20 0 BCADRP C[C@@H]1CCN(C(=O)NCCC[NH3+])[C@H](C[NH3+])C1 ZINC000418316868 398032980 /nfs/dbraw/zinc/03/29/80/398032980.db2.gz XJJFGQSTMVGVGI-ZJUUUORDSA-N 2 0 228.340 0.104 20 0 BCADRP C[C@H]1CCN(C(=O)NCCC[NH3+])[C@@H](C[NH3+])C1 ZINC000418316867 398033070 /nfs/dbraw/zinc/03/30/70/398033070.db2.gz XJJFGQSTMVGVGI-VHSXEESVSA-N 2 0 228.340 0.104 20 0 BCADRP CC[C@@H]1C[N@H+](CCC(=O)N(C)CC)CC[C@H]1[NH3+] ZINC000647934790 398034223 /nfs/dbraw/zinc/03/42/23/398034223.db2.gz QGNFYFJERRLDCQ-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000564726871 398039565 /nfs/dbraw/zinc/03/95/65/398039565.db2.gz NEVMUPTWLCZFRT-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000582676820 398041443 /nfs/dbraw/zinc/04/14/43/398041443.db2.gz KQISDXXEQWBGHC-VHSXEESVSA-N 2 0 213.325 0.100 20 0 BCADRP CCn1ncnc1CNCCn1ccnc1C ZINC000383836563 398042289 /nfs/dbraw/zinc/04/22/89/398042289.db2.gz JUMQZTLJAKGOSZ-UHFFFAOYSA-N 2 0 234.307 0.593 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H](CO)C1 ZINC000398807691 398063331 /nfs/dbraw/zinc/06/33/31/398063331.db2.gz OKVXHEDPJLENCE-UPJWGTAASA-N 2 0 244.379 0.249 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000646707325 398085578 /nfs/dbraw/zinc/08/55/78/398085578.db2.gz QKPICYRWDAEWLV-WDEREUQCSA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H]([NH3+])CC(F)F ZINC000566199666 398098857 /nfs/dbraw/zinc/09/88/57/398098857.db2.gz CHCVUIABXVXWKS-MRVPVSSYSA-N 2 0 237.294 0.473 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C[NH2+]C1CC1 ZINC000638490001 398100903 /nfs/dbraw/zinc/10/09/03/398100903.db2.gz SLKVSKOKDJLEHI-LLVKDONJSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000309286921 398118485 /nfs/dbraw/zinc/11/84/85/398118485.db2.gz VHQIMNFTIBLWEO-GXSJLCMTSA-N 2 0 225.336 0.147 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638507918 398109709 /nfs/dbraw/zinc/10/97/09/398109709.db2.gz JMBLKKGGDZXIHA-NXEZZACHSA-N 2 0 225.336 0.515 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638509480 398110743 /nfs/dbraw/zinc/11/07/43/398110743.db2.gz VNWXFPPPPQTXTH-HBNTYKKESA-N 2 0 237.347 0.515 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000061995880 398110872 /nfs/dbraw/zinc/11/08/72/398110872.db2.gz JSGAZZFUVXBKKV-LLVKDONJSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCc2cn[nH]c2)C1 ZINC000389708068 398125279 /nfs/dbraw/zinc/12/52/79/398125279.db2.gz LJYQNXWRVDUPJP-ONGXEEELSA-N 2 0 208.309 0.621 20 0 BCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000572330599 398133484 /nfs/dbraw/zinc/13/34/84/398133484.db2.gz YLSSVYRDZFJLPL-NWDGAFQWSA-N 2 0 241.379 0.783 20 0 BCADRP C[NH2+]CCCN1CC[NH+](C2CCC2)CC1 ZINC000336907393 173347042 /nfs/dbraw/zinc/34/70/42/173347042.db2.gz YWFLVUZARREKAZ-UHFFFAOYSA-N 2 0 211.353 0.766 20 0 BCADRP C[NH2+]CCC[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000300014897 173347457 /nfs/dbraw/zinc/34/74/57/173347457.db2.gz ACSZCFDDFHQTAF-WDEREUQCSA-N 2 0 200.326 0.953 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000428905310 487563640 /nfs/dbraw/zinc/56/36/40/487563640.db2.gz JYKUEVRHJZMQOV-FRRDWIJNSA-N 2 0 247.342 0.930 20 0 BCADRP [NH3+]CC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000113078962 487563829 /nfs/dbraw/zinc/56/38/29/487563829.db2.gz OAYXURMZLJBJOJ-LLVKDONJSA-N 2 0 235.287 0.245 20 0 BCADRP C1C[C@H]2C[C@H]([NH2+][C@@H]3CCOC3)CC[N@@H+]2C1 ZINC000095015564 487566444 /nfs/dbraw/zinc/56/64/44/487566444.db2.gz JSZXLGPKWCXSBP-UTUOFQBUSA-N 2 0 210.321 0.992 20 0 BCADRP [NH3+]C1(CC(=O)N2CCC[NH2+]CC2)CCC1 ZINC000086853261 487569861 /nfs/dbraw/zinc/56/98/61/487569861.db2.gz PUIVRLTVQJVRFO-UHFFFAOYSA-N 2 0 211.309 0.080 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000036170859 322901404 /nfs/dbraw/zinc/90/14/04/322901404.db2.gz MKKIFYKIFDTXQI-UHFFFAOYSA-N 2 0 240.351 0.038 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC(C)(C)C[NH3+] ZINC000082241616 487580962 /nfs/dbraw/zinc/58/09/62/487580962.db2.gz LKMIXNLUILGESB-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCOC1(C)C ZINC000383163447 487589493 /nfs/dbraw/zinc/58/94/93/487589493.db2.gz MFMROKLFSHIXFM-VXGBXAGGSA-N 2 0 244.379 0.845 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCOC1(C)C ZINC000383163436 487589405 /nfs/dbraw/zinc/58/94/05/487589405.db2.gz MFMROKLFSHIXFM-RYUDHWBXSA-N 2 0 244.379 0.845 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000669391382 487596982 /nfs/dbraw/zinc/59/69/82/487596982.db2.gz WAFGWGLJHZSWLW-HBNTYKKESA-N 2 0 240.351 0.260 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000662411149 487601869 /nfs/dbraw/zinc/60/18/69/487601869.db2.gz ZDEYHQYPHOPYPL-ONGXEEELSA-N 2 0 227.352 0.570 20 0 BCADRP CN(C(=O)[C@H]1[NH2+]CCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000662415472 487604303 /nfs/dbraw/zinc/60/43/03/487604303.db2.gz QUNVDNYCNCOISI-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP CCCN(C(=O)[C@@H](CC)[NH2+]C)[C@H]1CC[NH2+]C1 ZINC000662414395 487604455 /nfs/dbraw/zinc/60/44/55/487604455.db2.gz YVMYCLJGJRYOPN-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CCC[NH+]1CCC(NC(=O)C[NH2+]C(C)C)CC1 ZINC000040829718 487606512 /nfs/dbraw/zinc/60/65/12/487606512.db2.gz VUPBZLJYKOJOTC-UHFFFAOYSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+]CCC1CC[NH+](C[C@@H]2CNCCO2)CC1 ZINC000662264792 409560191 /nfs/dbraw/zinc/56/01/91/409560191.db2.gz LZDDVIZSLFKZHP-ZDUSSCGKSA-N 2 0 241.379 0.296 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000662263834 409562004 /nfs/dbraw/zinc/56/20/04/409562004.db2.gz OUBKGUCVFQWMBJ-OLZOCXBDSA-N 2 0 241.379 0.248 20 0 BCADRP C[C@@H]1CCCN(C[C@H]2C[NH2+]CCO2)[C@@H]1C[NH3+] ZINC000662244079 409536049 /nfs/dbraw/zinc/53/60/49/409536049.db2.gz GKXOKXLLQCJRHM-IJLUTSLNSA-N 2 0 227.352 0.034 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]CCO1 ZINC000662267736 409570736 /nfs/dbraw/zinc/57/07/36/409570736.db2.gz YHYAOUOVOYOSEO-RYUDHWBXSA-N 2 0 227.352 0.049 20 0 BCADRP CCN1CC[C@@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)C1=O ZINC000662246061 409541124 /nfs/dbraw/zinc/54/11/24/409541124.db2.gz NMOZIZQXYZCDHQ-ZYHUDNBSSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC000662266891 409569316 /nfs/dbraw/zinc/56/93/16/409569316.db2.gz QBOMEPHDPYRKOA-GARJFASQSA-N 2 0 225.336 0.276 20 0 BCADRP [NH3+]CCOCC[NH+]1CCC(c2ccon2)CC1 ZINC000662315168 409634876 /nfs/dbraw/zinc/63/48/76/409634876.db2.gz COTHGJJQZSAOBX-UHFFFAOYSA-N 2 0 239.319 0.829 20 0 BCADRP N[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@H]1F ZINC000662323848 409639550 /nfs/dbraw/zinc/63/95/50/409639550.db2.gz SCEKIMHCTMXRFS-GHMZBOCLSA-N 2 0 215.316 0.357 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(C[C@@H]2C[NH2+]CCO2)C[C@H]1C ZINC000662278361 409595832 /nfs/dbraw/zinc/59/58/32/409595832.db2.gz GEFFVPIVVXLGMH-AGIUHOORSA-N 2 0 241.379 0.389 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(C[C@@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000662278365 409597328 /nfs/dbraw/zinc/59/73/28/409597328.db2.gz GEFFVPIVVXLGMH-AVGNSLFASA-N 2 0 241.379 0.389 20 0 BCADRP [NH3+][C@H]1Cc2ccccc2N(C[C@@H]2C[NH2+]CCO2)C1 ZINC000662280534 409600285 /nfs/dbraw/zinc/60/02/85/409600285.db2.gz DUYLACCPTZNSAJ-STQMWFEESA-N 2 0 247.342 0.365 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000662393408 409695322 /nfs/dbraw/zinc/69/53/22/409695322.db2.gz FYHUXYYKHGYWHI-WDEREUQCSA-N 2 0 227.352 0.557 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)C1([NH2+]C2CC2)CCC1 ZINC000662394865 409696494 /nfs/dbraw/zinc/69/64/94/409696494.db2.gz DMZGQOAFYISIMG-LLVKDONJSA-N 2 0 237.347 0.529 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000662394916 409696693 /nfs/dbraw/zinc/69/66/93/409696693.db2.gz GDNGOVJJRWWMBC-NWDGAFQWSA-N 2 0 241.379 0.866 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000662404851 409699127 /nfs/dbraw/zinc/69/91/27/409699127.db2.gz ISQBYBNEYZNUPD-WDEREUQCSA-N 2 0 239.363 0.490 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000662404850 409699307 /nfs/dbraw/zinc/69/93/07/409699307.db2.gz ISQBYBNEYZNUPD-QWRGUYRKSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)([NH3+])CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662422882 409706064 /nfs/dbraw/zinc/70/60/64/409706064.db2.gz BAMNDODXMNUBCQ-UHFFFAOYSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@@H]1CN(C(=O)C2([NH2+]C3CC3)CCC2)CC[NH2+]1 ZINC000662416788 409706717 /nfs/dbraw/zinc/70/67/17/409706717.db2.gz BFJIIQGYWZQAFV-SNVBAGLBSA-N 2 0 237.347 0.481 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000662566479 409761025 /nfs/dbraw/zinc/76/10/25/409761025.db2.gz VEIQJHUKUJNUTQ-NXEZZACHSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000662564110 409761037 /nfs/dbraw/zinc/76/10/37/409761037.db2.gz YGCDBRPLNJMAQM-GUBZILKMSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@H]1CCN(C(=O)C[C@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000662575196 409764183 /nfs/dbraw/zinc/76/41/83/409764183.db2.gz SHNBZNYKLYMITM-TUAOUCFPSA-N 2 0 239.363 0.429 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662681269 409833636 /nfs/dbraw/zinc/83/36/36/409833636.db2.gz DLBGHGKJVNPSAN-WDEREUQCSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662683283 409834340 /nfs/dbraw/zinc/83/43/40/409834340.db2.gz QKOQYDZCRWUMER-QRVCZOOMSA-N 2 0 237.347 0.324 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653126750 409836513 /nfs/dbraw/zinc/83/65/13/409836513.db2.gz GEJZILZOGYEBDY-NSHDSACASA-N 2 0 227.352 0.492 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653127312 409838821 /nfs/dbraw/zinc/83/88/21/409838821.db2.gz IPJIKEOQSBDWJC-SRVKXCTJSA-N 2 0 237.347 0.385 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653127927 409841161 /nfs/dbraw/zinc/84/11/61/409841161.db2.gz AAHHDYLBCSQFBI-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](C)C[NH3+] ZINC000662692718 409841291 /nfs/dbraw/zinc/84/12/91/409841291.db2.gz FYPHDAUGKJLJDN-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653136427 409856850 /nfs/dbraw/zinc/85/68/50/409856850.db2.gz OUCZAIUDGUVCAS-YUSALJHKSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653128752 409843452 /nfs/dbraw/zinc/84/34/52/409843452.db2.gz WWVAPZILKLVYKJ-FBIMIBRVSA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CCC1 ZINC000653129196 409844314 /nfs/dbraw/zinc/84/43/14/409844314.db2.gz ZBGBYVCJBAUVLP-QWRGUYRKSA-N 2 0 237.347 0.515 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]CC1 ZINC000653132505 409848730 /nfs/dbraw/zinc/84/87/30/409848730.db2.gz HZWGWLLYFJHPQC-NWDGAFQWSA-N 2 0 239.363 0.634 20 0 BCADRP C[NH+]1CCC(CCNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662699281 409849015 /nfs/dbraw/zinc/84/90/15/409849015.db2.gz ZCYANUWMZIWEHH-HAQNSBGRSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653133589 409850597 /nfs/dbraw/zinc/85/05/97/409850597.db2.gz RIJYMFGQBRZANK-UTUOFQBUSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000662623619 409792083 /nfs/dbraw/zinc/79/20/83/409792083.db2.gz ZKKVNGZMKYOTNE-JTQLQIEISA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662623663 409795462 /nfs/dbraw/zinc/79/54/62/409795462.db2.gz ZOGIWTWRAARMEV-QWRGUYRKSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H](CCNC(=O)[C@H]([NH3+])CC(F)F)[NH+](C)C ZINC000662635452 409806643 /nfs/dbraw/zinc/80/66/43/409806643.db2.gz WEZXWHJSTYOBBC-HTQZYQBOSA-N 2 0 237.294 0.425 20 0 BCADRP C[C@@H](C(=O)NCC[C@H](C)[NH+](C)C)[C@H](C)[NH3+] ZINC000662635475 409807118 /nfs/dbraw/zinc/80/71/18/409807118.db2.gz WGPVWQNCJZAHPZ-AEJSXWLSSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000662635484 409807442 /nfs/dbraw/zinc/80/74/42/409807442.db2.gz WGPVWQNCJZAHPZ-GUBZILKMSA-N 2 0 215.341 0.426 20 0 BCADRP CC1(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[NH2+]CC1 ZINC000653135018 409854638 /nfs/dbraw/zinc/85/46/38/409854638.db2.gz QANLTKDOUMYKEC-WDEREUQCSA-N 2 0 239.363 0.762 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000662656130 409817618 /nfs/dbraw/zinc/81/76/18/409817618.db2.gz UZLLQFQTGNQYDC-NSHDSACASA-N 2 0 227.352 0.892 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000662781102 409905017 /nfs/dbraw/zinc/90/50/17/409905017.db2.gz WIPRAFTYPIRDIH-ZJUUUORDSA-N 2 0 223.320 0.078 20 0 BCADRP CC[N@H+](CCOCC[NH3+])[C@@H]1CCCOC1 ZINC000308787843 409905375 /nfs/dbraw/zinc/90/53/75/409905375.db2.gz HCCMKEVYQUQBFZ-LLVKDONJSA-N 2 0 216.325 0.463 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)CC1([NH3+])CC1 ZINC000662781473 409908569 /nfs/dbraw/zinc/90/85/69/409908569.db2.gz VUIFUBKISOLRHG-SNVBAGLBSA-N 2 0 225.336 0.598 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000662782692 409913499 /nfs/dbraw/zinc/91/34/99/409913499.db2.gz FYMSBAMXWIJUKL-JTQLQIEISA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662784762 409917251 /nfs/dbraw/zinc/91/72/51/409917251.db2.gz WZSWJHHKWXZNNL-SECBINFHSA-N 2 0 225.336 0.502 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000653137654 409858863 /nfs/dbraw/zinc/85/88/63/409858863.db2.gz KUFUGCBOIRMKCC-LOWVWBTDSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653144532 409866496 /nfs/dbraw/zinc/86/64/96/409866496.db2.gz YNBYGXXWCTUDPS-JLLWLGSASA-N 2 0 239.363 0.761 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653144855 409868561 /nfs/dbraw/zinc/86/85/61/409868561.db2.gz JIYOOOJFJLVSJQ-GARJFASQSA-N 2 0 225.336 0.371 20 0 BCADRP CN(C(=O)[C@H]1CCC[NH2+]CC1)C1(C[NH3+])CCC1 ZINC000653145898 409868622 /nfs/dbraw/zinc/86/86/22/409868622.db2.gz YKLMTAYEVAOYNM-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP CN(C(=O)[C@H]1CCC[NH2+]CC1)C1CC([NH3+])C1 ZINC000653145305 409869403 /nfs/dbraw/zinc/86/94/03/409869403.db2.gz CIKIEOUCPIPFNW-WHXUTIOJSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)[C@H]1CCC[NH2+]CC1)C(F)F ZINC000653144929 409869432 /nfs/dbraw/zinc/86/94/32/409869432.db2.gz MNPNVUCKQFJFNF-DTWKUNHWSA-N 2 0 249.305 0.475 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000662720004 409869495 /nfs/dbraw/zinc/86/94/95/409869495.db2.gz NXJHRDLCKMTRTP-SRVKXCTJSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+]CCN(Cc1ccccc1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662765753 409888038 /nfs/dbraw/zinc/88/80/38/409888038.db2.gz IHCLKALEFCUPFJ-JOCQHMNTSA-N 2 0 247.342 0.711 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000662769143 409890495 /nfs/dbraw/zinc/89/04/95/409890495.db2.gz CPKXDDGQWFDSDJ-TVWIJHCHSA-N 2 0 223.320 0.077 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)C[C@H]2CC[NH2+]C2)[C@@H]1C ZINC000662775112 409894948 /nfs/dbraw/zinc/89/49/48/409894948.db2.gz PYPDCSBSZZJAFJ-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662775548 409895271 /nfs/dbraw/zinc/89/52/71/409895271.db2.gz WZRWTMYGUSNVJZ-AXFHLTTASA-N 2 0 237.347 0.052 20 0 BCADRP C[C@]1(C(=O)NCC2([NH3+])CCCC2)CCC[NH2+]C1 ZINC000662862837 409958047 /nfs/dbraw/zinc/95/80/47/409958047.db2.gz GGVUECXFWNQYST-LBPRGKRZSA-N 2 0 239.363 0.764 20 0 BCADRP CC[C@@]1(C(=O)NCC[C@@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000662858649 409958297 /nfs/dbraw/zinc/95/82/97/409958297.db2.gz HCJPWCNNNWRIFK-YPMHNXCESA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)[N@@H+](C)C[C@H](O)CN(C[C@H](C)O)C1CC1 ZINC000660925702 409974966 /nfs/dbraw/zinc/97/49/66/409974966.db2.gz FHVCEAUNOLJWIB-AAEUAGOBSA-N 2 0 244.379 0.533 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2C(=O)CC1([NH3+])CC1 ZINC000662826073 409937822 /nfs/dbraw/zinc/93/78/22/409937822.db2.gz RWMJSNWMMYZWIO-UHFFFAOYSA-N 2 0 237.347 0.598 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662839437 409949907 /nfs/dbraw/zinc/94/99/07/409949907.db2.gz QPRWLDURWSQYMO-SDDRHHMPSA-N 2 0 239.363 0.857 20 0 BCADRP CC(C)[NH2+]CCC(=O)N(C)CCC[NH3+] ZINC000131936882 410089498 /nfs/dbraw/zinc/08/94/98/410089498.db2.gz ZWEKHORIIYHURL-UHFFFAOYSA-N 2 0 201.314 0.182 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000653175946 410153357 /nfs/dbraw/zinc/15/33/57/410153357.db2.gz GTJNFYSXAAQNDO-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H](C(=O)N1CC2CCC1(C[NH3+])CC2)[C@H](C)[NH3+] ZINC000653169415 410136888 /nfs/dbraw/zinc/13/68/88/410136888.db2.gz POZBYKCCAYFRTC-CFGSLIKFSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H](C(=O)N1CC2CCC1(C[NH3+])CC2)[NH+](C)C ZINC000653169519 410136916 /nfs/dbraw/zinc/13/69/16/410136916.db2.gz TWRIWZCHUXDCRX-ZBOXLXRLSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)C1 ZINC000655412163 410215348 /nfs/dbraw/zinc/21/53/48/410215348.db2.gz MYEXUQSNLDZJBY-MDZLAQPJSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)C1 ZINC000655412166 410216658 /nfs/dbraw/zinc/21/66/58/410216658.db2.gz MYEXUQSNLDZJBY-WZRBSPASSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)C1 ZINC000655412165 410216702 /nfs/dbraw/zinc/21/67/02/410216702.db2.gz MYEXUQSNLDZJBY-NTZNESFSSA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C1([NH3+])CCC1)C2 ZINC000653194052 410160445 /nfs/dbraw/zinc/16/04/45/410160445.db2.gz SMACXWLAXAHSDC-JQWIXIFHSA-N 2 0 237.347 0.455 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653198120 410160612 /nfs/dbraw/zinc/16/06/12/410160612.db2.gz JQRMCMGHPHBNMA-GVXVVHGQSA-N 2 0 239.363 0.557 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC[NH2+]1 ZINC000655414692 410218436 /nfs/dbraw/zinc/21/84/36/410218436.db2.gz CESPTWXAKBYCSG-NQBHXWOUSA-N 2 0 237.347 0.196 20 0 BCADRP CC[C@]1(C(=O)NCCC2(C[NH3+])CC2)CCC[NH2+]1 ZINC000653220971 410168746 /nfs/dbraw/zinc/16/87/46/410168746.db2.gz BJUGRZXEJPANLN-CYBMUJFWSA-N 2 0 239.363 0.764 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653221278 410169215 /nfs/dbraw/zinc/16/92/15/410169215.db2.gz PPOYBAQEHONOHK-VHSXEESVSA-N 2 0 225.336 0.230 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCCC1(C[NH3+])CC1 ZINC000653221375 410171033 /nfs/dbraw/zinc/17/10/33/410171033.db2.gz URPYTZPKHWZBKZ-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653221404 410171257 /nfs/dbraw/zinc/17/12/57/410171257.db2.gz VWTIUGQCDSMGCO-GHMZBOCLSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]CC1(CCNC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000653221317 410171505 /nfs/dbraw/zinc/17/15/05/410171505.db2.gz RBYGIERJWGTHTC-LLVKDONJSA-N 2 0 239.363 0.621 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653226002 410173268 /nfs/dbraw/zinc/17/32/68/410173268.db2.gz NOQKSSORTCPFCL-NSHDSACASA-N 2 0 239.294 0.638 20 0 BCADRP CNC(=O)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000158081879 410173968 /nfs/dbraw/zinc/17/39/68/410173968.db2.gz OHQLMLCYAZZZBI-JTQLQIEISA-N 2 0 213.325 0.006 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000653233288 410175043 /nfs/dbraw/zinc/17/50/43/410175043.db2.gz UGINJSKXOOCHRY-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655415546 410218900 /nfs/dbraw/zinc/21/89/00/410218900.db2.gz WZAUKADPTNBRKS-MDZLAQPJSA-N 2 0 237.347 0.196 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655414383 410218987 /nfs/dbraw/zinc/21/89/87/410218987.db2.gz MVVKUIRCXOYHED-SKDRFNHKSA-N 2 0 225.336 0.230 20 0 BCADRP CC1(C)C[N@H+](CCOCC[NH3+])CCCO1 ZINC000308980075 410192189 /nfs/dbraw/zinc/19/21/89/410192189.db2.gz HUQZWBXBABJGDP-UHFFFAOYSA-N 2 0 216.325 0.463 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC(CC[NH3+])CC1 ZINC000653256435 410237185 /nfs/dbraw/zinc/23/71/85/410237185.db2.gz DPWBWSRLUPNMOT-VHSXEESVSA-N 2 0 227.352 0.557 20 0 BCADRP CCC[NH+]1CCC(CNC(=O)[C@H](C)[NH2+]C)CC1 ZINC000655445721 410268104 /nfs/dbraw/zinc/26/81/04/410268104.db2.gz KAEHULXUFWLXFJ-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000663512628 410282342 /nfs/dbraw/zinc/28/23/42/410282342.db2.gz GVQQRLYRZZIEJZ-NNYUYHANSA-N 3 0 211.353 0.572 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655415959 410221416 /nfs/dbraw/zinc/22/14/16/410221416.db2.gz UXVRPIYZCVQGEY-CKYFFXLPSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)C1 ZINC000655416482 410221962 /nfs/dbraw/zinc/22/19/62/410221962.db2.gz VWXZJKCHSSXFFZ-GVXVVHGQSA-N 2 0 237.347 0.183 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000655417430 410224303 /nfs/dbraw/zinc/22/43/03/410224303.db2.gz KRGBCZFVEBLYHR-NEPJUHHUSA-N 2 0 237.347 0.481 20 0 BCADRP C[C@H]1CNC[C@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000650714244 410348628 /nfs/dbraw/zinc/34/86/28/410348628.db2.gz WZCIIPOMJCKCDX-GHMZBOCLSA-N 2 0 211.353 0.703 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655453406 410297422 /nfs/dbraw/zinc/29/74/22/410297422.db2.gz JMRPYTIFPQTXMK-JSGCOSHPSA-N 2 0 249.358 0.412 20 0 BCADRP CCN(C(=O)[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]CC1 ZINC000655453242 410297612 /nfs/dbraw/zinc/29/76/12/410297612.db2.gz HVXYICSSZBEOGM-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP O=C(NCCC1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000653266994 410309277 /nfs/dbraw/zinc/30/92/77/410309277.db2.gz JCLCDQPNWIZTOT-GFCCVEGCSA-N 2 0 239.363 0.634 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000650742924 410377431 /nfs/dbraw/zinc/37/74/31/410377431.db2.gz IFIYEHHNLGNLCX-WHTULNAYSA-N 2 0 225.336 0.357 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000650743633 410377609 /nfs/dbraw/zinc/37/76/09/410377609.db2.gz XZRNURBBYMQLGV-ZNSHCXBVSA-N 2 0 225.336 0.357 20 0 BCADRP [NH3+]CC1(CC[NH2+][C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000650745499 410383352 /nfs/dbraw/zinc/38/33/52/410383352.db2.gz HZMKPIQHBFWCKL-SNVBAGLBSA-N 2 0 246.376 0.282 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000130008202 410392921 /nfs/dbraw/zinc/39/29/21/410392921.db2.gz RITOVKUCEWZJQY-NXEZZACHSA-N 2 0 227.352 0.476 20 0 BCADRP [NH3+]Cc1cc(C(=O)NC2CCC([NH3+])CC2)ccn1 ZINC000130247820 410396766 /nfs/dbraw/zinc/39/67/66/410396766.db2.gz LOFMKPJVVNZWLR-UHFFFAOYSA-N 2 0 248.330 0.540 20 0 BCADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761501 410409353 /nfs/dbraw/zinc/40/93/53/410409353.db2.gz ANTZBQLEXNSYCF-NWDGAFQWSA-N 3 0 211.353 0.846 20 0 BCADRP C(CC1CC[NH2+]CC1)[NH2+]C1CC[NH2+]CC1 ZINC000650762241 410412669 /nfs/dbraw/zinc/41/26/69/410412669.db2.gz XSLBXBUDMSDBRZ-UHFFFAOYSA-N 3 0 211.353 0.718 20 0 BCADRP CC(C)[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000051889525 410571473 /nfs/dbraw/zinc/57/14/73/410571473.db2.gz NMOSZJJWOWJLFG-LBPRGKRZSA-N 2 0 211.353 0.622 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000655459379 410553391 /nfs/dbraw/zinc/55/33/91/410553391.db2.gz GLYZUOGOGKWCJJ-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655459556 410555524 /nfs/dbraw/zinc/55/55/24/410555524.db2.gz LSKCERVVEFKVFX-NTZNESFSSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655463977 410650752 /nfs/dbraw/zinc/65/07/52/410650752.db2.gz BTTTZPQZJWDMMR-WZRBSPASSA-N 2 0 239.363 0.620 20 0 BCADRP Cc1cncc(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])n1 ZINC000665274751 410746538 /nfs/dbraw/zinc/74/65/38/410746538.db2.gz XKSJBEBKPRZGMK-VXGBXAGGSA-N 2 0 220.320 0.797 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655477662 410710773 /nfs/dbraw/zinc/71/07/73/410710773.db2.gz ARNUXVCSZOIERM-SRRSOLGSSA-N 2 0 237.347 0.324 20 0 BCADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CCOC1 ZINC000665234970 410726363 /nfs/dbraw/zinc/72/63/63/410726363.db2.gz NEBFCJPPFLRQHD-FDYHWXHSSA-N 2 0 242.363 0.755 20 0 BCADRP CC[C@@H](Cn1cncn1)[NH2+]CC1([NH3+])CCCC1 ZINC000665246451 410730596 /nfs/dbraw/zinc/73/05/96/410730596.db2.gz GCUFWBRGHOARBI-NSHDSACASA-N 2 0 237.351 0.918 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC(CC[NH3+])CC1 ZINC000655486672 410784738 /nfs/dbraw/zinc/78/47/38/410784738.db2.gz YAUPUANVAFMPBG-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489384 410797957 /nfs/dbraw/zinc/79/79/57/410797957.db2.gz PUWOJHLFRDCYLS-LOWVWBTDSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000655489397 410798292 /nfs/dbraw/zinc/79/82/92/410798292.db2.gz QCQJZFGHDGKHSS-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489689 410798301 /nfs/dbraw/zinc/79/83/01/410798301.db2.gz ZJXCIPQFSHIOIE-BBBLOLIVSA-N 2 0 213.325 0.038 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000655489403 410798830 /nfs/dbraw/zinc/79/88/30/410798830.db2.gz QITJAURAFWADLZ-PHIMTYICSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000655488509 410799018 /nfs/dbraw/zinc/79/90/18/410799018.db2.gz CAUUQIHBROJNBB-UTUOFQBUSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000655489280 410799133 /nfs/dbraw/zinc/79/91/33/410799133.db2.gz NYWBZPXVZRKXLD-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000665296011 410802369 /nfs/dbraw/zinc/80/23/69/410802369.db2.gz LOPVFVJKXHEIOW-TUAOUCFPSA-N 2 0 211.353 0.811 20 0 BCADRP CC[NH+](CC)CCC[C@H](C)NC(=O)CC[NH3+] ZINC000019268043 169776646 /nfs/dbraw/zinc/77/66/46/169776646.db2.gz STDAJBKLWWOHBX-NSHDSACASA-N 2 0 229.368 0.962 20 0 BCADRP CCC(C)(C)[NH+]1CCN(C(=O)[C@H](C)[NH2+]C)CC1 ZINC000655494431 410867081 /nfs/dbraw/zinc/86/70/81/410867081.db2.gz BOUVZFBUYMNRJQ-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000040673671 410886117 /nfs/dbraw/zinc/88/61/17/410886117.db2.gz BEZIYXRYOQMVKT-NXEZZACHSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396446568 410882841 /nfs/dbraw/zinc/88/28/41/410882841.db2.gz CTPSTJWCSQATQB-PWSUYJOCSA-N 2 0 241.379 0.816 20 0 BCADRP C[NH2+]CC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396434653 410883198 /nfs/dbraw/zinc/88/31/98/410883198.db2.gz LGYNNVMWQYZPTD-VIFPVBQESA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396438958 410883944 /nfs/dbraw/zinc/88/39/44/410883944.db2.gz QQNFIJSVDXMRQC-RKDXNWHRSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396435797 410884080 /nfs/dbraw/zinc/88/40/80/410884080.db2.gz MWYFWIWLYRPMGY-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)N1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000332713361 167033752 /nfs/dbraw/zinc/03/37/52/167033752.db2.gz PISCDLQKLWIPOR-IJLUTSLNSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000038029519 167097023 /nfs/dbraw/zinc/09/70/23/167097023.db2.gz OLGYKMNTDRPORR-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037610133 167098069 /nfs/dbraw/zinc/09/80/69/167098069.db2.gz YHRGXKDFFOLXKL-VXGBXAGGSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000062076578 167098495 /nfs/dbraw/zinc/09/84/95/167098495.db2.gz SMOGBRDXFOTMAZ-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)[NH2+]CCN1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000377068680 167103950 /nfs/dbraw/zinc/10/39/50/167103950.db2.gz SQNALXKKAHSATA-ZDUSSCGKSA-N 2 0 243.395 0.373 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000126146098 167344696 /nfs/dbraw/zinc/34/46/96/167344696.db2.gz SRLFZJIUQILYHT-ZJUUUORDSA-N 2 0 213.325 0.051 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000376387291 167345552 /nfs/dbraw/zinc/34/55/52/167345552.db2.gz PVNDSYHQHFXGMO-NEPJUHHUSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000036787399 167368868 /nfs/dbraw/zinc/36/88/68/167368868.db2.gz YAGPAXUHRDBWEO-LLVKDONJSA-N 2 0 227.352 0.395 20 0 BCADRP CC(C)[C@@H](CCO)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000310120316 167391651 /nfs/dbraw/zinc/39/16/51/167391651.db2.gz DLSKYBWBKXYZQF-CHWSQXEVSA-N 2 0 244.379 0.438 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CC[NH+](C(C)C)CC1 ZINC000044802153 167394794 /nfs/dbraw/zinc/39/47/94/167394794.db2.gz PAGMWZWHGSTBDR-GFCCVEGCSA-N 2 0 241.379 0.770 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000044798049 167394822 /nfs/dbraw/zinc/39/48/22/167394822.db2.gz TVWKGXFDJUHLIJ-LLVKDONJSA-N 2 0 243.395 0.921 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N(C)C1CC[NH+](C)CC1 ZINC000044793717 167395783 /nfs/dbraw/zinc/39/57/83/167395783.db2.gz SPVNAHNUXKSRGS-GFCCVEGCSA-N 2 0 241.379 0.770 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000044806746 167395911 /nfs/dbraw/zinc/39/59/11/167395911.db2.gz DMQXTBBGDZRHNK-GFCCVEGCSA-N 2 0 241.379 0.819 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000336687820 167396995 /nfs/dbraw/zinc/39/69/95/167396995.db2.gz VGEYMCOEIOKTMF-NXEZZACHSA-N 2 0 213.325 0.086 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C[NH2+]CC1CC1 ZINC000336651356 167420482 /nfs/dbraw/zinc/42/04/82/167420482.db2.gz FDWZNMNQABZTTN-JTQLQIEISA-N 2 0 213.325 0.086 20 0 BCADRP C[C@H](CNC(=O)[C@@H]([NH3+])C1CCC1)[NH+]1CCCC1 ZINC000399088774 411014318 /nfs/dbraw/zinc/01/43/18/411014318.db2.gz VRKJCFOSGCKWKA-PWSUYJOCSA-N 2 0 239.363 0.714 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000398989300 411005159 /nfs/dbraw/zinc/00/51/59/411005159.db2.gz JHAQOOQHIFGQFE-MNOVXSKESA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000377806208 167513185 /nfs/dbraw/zinc/51/31/85/167513185.db2.gz CIIHRSYCWNRMKN-NXEZZACHSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](C)C1)[C@@H](C)[NH3+] ZINC000399658217 411054376 /nfs/dbraw/zinc/05/43/76/411054376.db2.gz OUCZUWMAPFYJRY-UTUOFQBUSA-N 2 0 241.379 0.674 20 0 BCADRP CC(C)[C@H](C(=O)NC1CCC([NH3+])CC1)[C@@H](C)[NH3+] ZINC000399662563 411055660 /nfs/dbraw/zinc/05/56/60/411055660.db2.gz PUULNWYJTRDROG-YYJSSNLHSA-N 2 0 241.379 0.992 20 0 BCADRP C[C@@H](NC(=O)C1(C)C[NH2+]C1)C1CC[NH+](C)CC1 ZINC000399285878 411030660 /nfs/dbraw/zinc/03/06/60/411030660.db2.gz POZBSGOOXMAOAK-SNVBAGLBSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000516928148 411132005 /nfs/dbraw/zinc/13/20/05/411132005.db2.gz IXYAIAJZNQOBPT-ZYHUDNBSSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ncn(C)n1 ZINC000400928008 411163157 /nfs/dbraw/zinc/16/31/57/411163157.db2.gz HYSMSCHYSVBIEZ-FIQHERPVSA-N 2 0 249.362 0.854 20 0 BCADRP C[NH2+]CCCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655960858 411163284 /nfs/dbraw/zinc/16/32/84/411163284.db2.gz APDPIERPJZSWSD-PHIMTYICSA-N 2 0 242.367 0.235 20 0 BCADRP Cc1n[nH]c(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000400910199 411163312 /nfs/dbraw/zinc/16/33/12/411163312.db2.gz BEILLCFCZPTBOV-SDDRHHMPSA-N 2 0 249.362 0.633 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCC1CC[NH+](C)CC1 ZINC000044526681 411137360 /nfs/dbraw/zinc/13/73/60/411137360.db2.gz VQUQMPVNPPNHEM-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044538957 411137517 /nfs/dbraw/zinc/13/75/17/411137517.db2.gz BAZFUDSHGWZUKR-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)C2(C[NH3+])CCCC2)C1 ZINC000044763172 411139925 /nfs/dbraw/zinc/13/99/25/411139925.db2.gz VHAOQSDLHQFTEW-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655967787 411164125 /nfs/dbraw/zinc/16/41/25/411164125.db2.gz DQQNQQSBNCUOKE-XWLWVQCSSA-N 2 0 242.367 0.362 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000309499604 411151213 /nfs/dbraw/zinc/15/12/13/411151213.db2.gz UOPOYBVVLAEMCX-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)[C@H](C)C1 ZINC000651939014 411153906 /nfs/dbraw/zinc/15/39/06/411153906.db2.gz PYFFDJVBLFUJSZ-WISYIIOYSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]([NH3+])CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000309501232 411154873 /nfs/dbraw/zinc/15/48/73/411154873.db2.gz UZBHAJVCKKQSDU-TUAOUCFPSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)[C@@H]1C[NH3+] ZINC000309506069 411156298 /nfs/dbraw/zinc/15/62/98/411156298.db2.gz VWPCSNFVFMOQMU-IJLUTSLNSA-N 2 0 211.353 0.655 20 0 BCADRP C[N@H+](CC[C@@H]1CCOC1)CCN1CC[NH2+]CC1 ZINC000400590681 411158747 /nfs/dbraw/zinc/15/87/47/411158747.db2.gz ADTRNNCKQDAEKE-CYBMUJFWSA-N 2 0 241.379 0.250 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H](C)[NH3+])C1 ZINC000309518459 411160006 /nfs/dbraw/zinc/16/00/06/411160006.db2.gz ZKPMRCJYERBVAY-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)NCC1([NH3+])CCCC1 ZINC000659553142 411160836 /nfs/dbraw/zinc/16/08/36/411160836.db2.gz MFYRYDBPMHZWSG-SNVBAGLBSA-N 2 0 242.367 0.685 20 0 BCADRP CN(C(=O)CC(C)(C)[NH3+])C1CC[NH2+]CC1 ZINC000309361365 411107722 /nfs/dbraw/zinc/10/77/22/411107722.db2.gz AMUJZZQCJGBGDW-UHFFFAOYSA-N 2 0 213.325 0.324 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)[NH3+] ZINC000309375578 411113927 /nfs/dbraw/zinc/11/39/27/411113927.db2.gz CNSSPEFCZZOCRQ-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC1=CC[NH2+]CC1 ZINC000309375026 411114139 /nfs/dbraw/zinc/11/41/39/411114139.db2.gz CNFKGFNUYSXOJL-SECBINFHSA-N 2 0 211.309 0.150 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655504551 411115061 /nfs/dbraw/zinc/11/50/61/411115061.db2.gz FHHOFDQWTAXZIB-SVRRBLITSA-N 2 0 241.257 0.510 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655504548 411115113 /nfs/dbraw/zinc/11/51/13/411115113.db2.gz FHHOFDQWTAXZIB-HTRCEHHLSA-N 2 0 241.257 0.510 20 0 BCADRP CC[C@H]1CN(C(=O)C(C)(C)[NH3+])CC[C@H]1[NH3+] ZINC000309382806 411120520 /nfs/dbraw/zinc/12/05/20/411120520.db2.gz DNMIBPWVBBIHMA-DTWKUNHWSA-N 2 0 213.325 0.310 20 0 BCADRP CC[C@@H]1CN(C[C@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000309381021 411120810 /nfs/dbraw/zinc/12/08/10/411120810.db2.gz DIDQKLCHAYJUDQ-TUAOUCFPSA-N 2 0 211.353 0.655 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000309409473 411242266 /nfs/dbraw/zinc/24/22/66/411242266.db2.gz IKJYCTXVZFAWPR-BBBLOLIVSA-N 2 0 213.325 0.226 20 0 BCADRP [NH3+]CCCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652203741 411170779 /nfs/dbraw/zinc/17/07/79/411170779.db2.gz WQCOEBMYMRLSCO-UHFFFAOYSA-N 2 0 228.340 0.024 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000309557733 411171650 /nfs/dbraw/zinc/17/16/50/411171650.db2.gz NECALYFIFRQPRB-LPEHRKFASA-N 2 0 211.309 0.125 20 0 BCADRP CC(C)[N@H+](CCCC1CC[NH2+]CC1)CC(N)=O ZINC000401048798 411174220 /nfs/dbraw/zinc/17/42/20/411174220.db2.gz JXVPTDFAJBMENY-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP c1cn(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nn1 ZINC000401050062 411174514 /nfs/dbraw/zinc/17/45/14/411174514.db2.gz XVDDRXPGYNRDBG-RWMBFGLXSA-N 2 0 249.362 0.646 20 0 BCADRP c1cn(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nn1 ZINC000401050058 411174803 /nfs/dbraw/zinc/17/48/03/411174803.db2.gz XVDDRXPGYNRDBG-FRRDWIJNSA-N 2 0 249.362 0.646 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCCC1CC[NH2+]CC1 ZINC000652221260 411175963 /nfs/dbraw/zinc/17/59/63/411175963.db2.gz UQZWEEVHIGDFNP-LLVKDONJSA-N 2 0 242.367 0.413 20 0 BCADRP CC[C@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000659563992 411176159 /nfs/dbraw/zinc/17/61/59/411176159.db2.gz ALNOITGUUVWRAN-DCAQKATOSA-N 2 0 240.351 0.117 20 0 BCADRP c1n[nH]cc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401080207 411176423 /nfs/dbraw/zinc/17/64/23/411176423.db2.gz ODJOAECADRXSFC-YNEHKIRRSA-N 2 0 234.347 0.930 20 0 BCADRP COC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401119277 411176626 /nfs/dbraw/zinc/17/66/26/411176626.db2.gz JFVDPBIYKOISHV-WHOHXGKFSA-N 2 0 212.337 0.999 20 0 BCADRP CN(CCC[NH3+])C(=O)NCCC1(C[NH3+])CC1 ZINC000652231733 411176711 /nfs/dbraw/zinc/17/67/11/411176711.db2.gz DQVCLMQPNRIQBW-UHFFFAOYSA-N 2 0 228.340 0.106 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659564043 411176764 /nfs/dbraw/zinc/17/67/64/411176764.db2.gz DEVQCEBJERKYHJ-AXFHLTTASA-N 2 0 240.351 0.117 20 0 BCADRP c1cn(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000401117424 411177142 /nfs/dbraw/zinc/17/71/42/411177142.db2.gz IQXUACAQLSGQLO-YNEHKIRRSA-N 2 0 234.347 0.861 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000132956531 411177403 /nfs/dbraw/zinc/17/74/03/411177403.db2.gz MMOYFRJKGAWXFH-DCAQKATOSA-N 2 0 227.352 0.569 20 0 BCADRP Cn1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000401146122 411178498 /nfs/dbraw/zinc/17/84/98/411178498.db2.gz VGAIXMBVPIVBHU-JHJVBQTASA-N 2 0 234.347 0.898 20 0 BCADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000111826536 411181495 /nfs/dbraw/zinc/18/14/95/411181495.db2.gz MQFPBBJKTIQJPY-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000658093488 411243444 /nfs/dbraw/zinc/24/34/44/411243444.db2.gz VDBSZGURZFXAPC-NXEZZACHSA-N 2 0 227.352 0.713 20 0 BCADRP COCC[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070800431 411183846 /nfs/dbraw/zinc/18/38/46/411183846.db2.gz LLSKHBHBLGUGHD-GFCCVEGCSA-N 2 0 229.368 0.248 20 0 BCADRP CC(C)OC[C@@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656152639 411187571 /nfs/dbraw/zinc/18/75/71/411187571.db2.gz BHPZRVZXEDMJAM-XQQFMLRXSA-N 2 0 244.379 0.702 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000309623131 411188442 /nfs/dbraw/zinc/18/84/42/411188442.db2.gz IEHGDTKJEIMOOH-UWVGGRQHSA-N 2 0 213.325 0.100 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000309913513 411189437 /nfs/dbraw/zinc/18/94/37/411189437.db2.gz OCZPAGNJYOLXFZ-TUAOUCFPSA-N 2 0 209.337 0.422 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000656192682 411198141 /nfs/dbraw/zinc/19/81/41/411198141.db2.gz SUICMGKFTOFMRM-YFKTTZPYSA-N 2 0 211.353 0.973 20 0 BCADRP CCn1cnnc1CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656197418 411203405 /nfs/dbraw/zinc/20/34/05/411203405.db2.gz HXKMSIRRBLCVCM-WDEREUQCSA-N 2 0 237.351 0.700 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000652338640 411203869 /nfs/dbraw/zinc/20/38/69/411203869.db2.gz KFPSGHXJWYKFME-CHWSQXEVSA-N 2 0 243.395 0.230 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000652338358 411204704 /nfs/dbraw/zinc/20/47/04/411204704.db2.gz XARHELWDFFILMV-LBPRGKRZSA-N 2 0 230.352 0.458 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000652341127 411205336 /nfs/dbraw/zinc/20/53/36/411205336.db2.gz ICSKUAQXHRNRNN-STQMWFEESA-N 2 0 241.379 0.032 20 0 BCADRP Cn1cnc(CCC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000656200447 411205384 /nfs/dbraw/zinc/20/53/84/411205384.db2.gz QDCQNKOPAUELLE-MNOVXSKESA-N 2 0 237.351 0.607 20 0 BCADRP CC[C@@H]1CN(C[C@@](C)(O)C[NH2+]C)CC[C@H]1[NH3+] ZINC000652340732 411205753 /nfs/dbraw/zinc/20/57/53/411205753.db2.gz HPQVTTLCBANUNU-UTUOFQBUSA-N 2 0 229.368 0.016 20 0 BCADRP COCC[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347019 411208854 /nfs/dbraw/zinc/20/88/54/411208854.db2.gz OFXUJESIWMJSBK-RWMBFGLXSA-N 2 0 242.363 0.851 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNc2cc[nH+]cc2C(N)=O)C1 ZINC000656211466 411210397 /nfs/dbraw/zinc/21/03/97/411210397.db2.gz FGKCISSARJQOCJ-AOOOYVTPSA-N 2 0 248.330 0.355 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000335479366 411210731 /nfs/dbraw/zinc/21/07/31/411210731.db2.gz MXWZPFISUKZLDY-RYUDHWBXSA-N 2 0 241.379 0.912 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000652353139 411211768 /nfs/dbraw/zinc/21/17/68/411211768.db2.gz GCSJPDVAVGQHGF-STQMWFEESA-N 2 0 244.379 0.846 20 0 BCADRP c1nncn1CC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000652353118 411211865 /nfs/dbraw/zinc/21/18/65/411211865.db2.gz DFJMTRFDNIUFBW-CYBMUJFWSA-N 2 0 249.362 0.600 20 0 BCADRP C[NH2+]CCC[NH+]1CCC([C@@H](C)CO)CC1 ZINC000652358425 411214570 /nfs/dbraw/zinc/21/45/70/411214570.db2.gz BUCJMPCEZXHPIO-NSHDSACASA-N 2 0 214.353 0.936 20 0 BCADRP [NH3+]CCC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000652358744 411216192 /nfs/dbraw/zinc/21/61/92/411216192.db2.gz RSGPEJLPRHSUKD-GFCCVEGCSA-N 3 0 211.353 0.657 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000308859372 411221934 /nfs/dbraw/zinc/22/19/34/411221934.db2.gz QYYPTBZTQGXWJU-HTQZYQBOSA-N 2 0 201.314 0.071 20 0 BCADRP CO[C@](C)(CO)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000655785699 411227788 /nfs/dbraw/zinc/22/77/88/411227788.db2.gz NDUVEUHFGMHDGG-XQQFMLRXSA-N 2 0 242.363 0.600 20 0 BCADRP CC1([NH3+])CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000309771504 411231004 /nfs/dbraw/zinc/23/10/04/411231004.db2.gz KPPROUCKFSHFCN-VIFPVBQESA-N 2 0 211.309 0.078 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000659612355 411235896 /nfs/dbraw/zinc/23/58/96/411235896.db2.gz WDLJTHMKBDDHCT-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP [NH3+]CCCn1cc(CC[NH+]2CCCCC2)nn1 ZINC000656435792 411247827 /nfs/dbraw/zinc/24/78/27/411247827.db2.gz JEGNKWHHUTUJNS-UHFFFAOYSA-N 2 0 237.351 0.655 20 0 BCADRP CNC(=O)[C@@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000396729300 411240289 /nfs/dbraw/zinc/24/02/89/411240289.db2.gz CUQVALHMGVSAOU-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CNC(=O)[C@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000396729301 411240863 /nfs/dbraw/zinc/24/08/63/411240863.db2.gz CUQVALHMGVSAOU-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)CCCn1cc(CN2CCCC2)nn1 ZINC000656436874 411248611 /nfs/dbraw/zinc/24/86/11/411248611.db2.gz BSQKOPSHQFLUGB-UHFFFAOYSA-N 2 0 237.351 0.826 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC/C=C\C[NH3+])C1 ZINC000655968771 411165251 /nfs/dbraw/zinc/16/52/51/411165251.db2.gz ZSAORCRDQPNUHZ-XCPMARJRSA-N 2 0 240.351 0.141 20 0 BCADRP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400946380 411165796 /nfs/dbraw/zinc/16/57/96/411165796.db2.gz CYOWSSZCPBANIB-NNYUYHANSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400951531 411166547 /nfs/dbraw/zinc/16/65/47/411166547.db2.gz HPDCGIVJZHMVND-VPOLOUISSA-N 2 0 225.336 0.228 20 0 BCADRP Cn1cnc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000400956625 411166619 /nfs/dbraw/zinc/16/66/19/411166619.db2.gz YVXIOHQQDOCLKX-RWMBFGLXSA-N 2 0 248.374 0.940 20 0 BCADRP COCC(COC)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400968449 411166705 /nfs/dbraw/zinc/16/67/05/411166705.db2.gz IIBIDTIRWFIYJF-QJPTWQEYSA-N 2 0 242.363 0.626 20 0 BCADRP CC[C@@H](CO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400968060 411166796 /nfs/dbraw/zinc/16/67/96/411166796.db2.gz CPQNUEDJHSQNSO-WHOHXGKFSA-N 2 0 212.337 0.735 20 0 BCADRP O[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCOC1 ZINC000400970635 411167529 /nfs/dbraw/zinc/16/75/29/411167529.db2.gz MLHOYRKXPJHFBJ-LOWDOPEQSA-N 2 0 240.347 0.116 20 0 BCADRP c1c(C2CC[NH2+]CC2)nnn1C1CC[NH2+]CC1 ZINC000656456879 411265367 /nfs/dbraw/zinc/26/53/67/411265367.db2.gz NBTIZRBXBPQLKG-UHFFFAOYSA-N 2 0 235.335 0.670 20 0 BCADRP C[NH2+]C(C)(C)c1cn(C2CC[NH2+]CC2)nn1 ZINC000656457343 411266362 /nfs/dbraw/zinc/26/63/62/411266362.db2.gz UJQPHBLURJVGTG-UHFFFAOYSA-N 2 0 223.324 0.657 20 0 BCADRP C[C@H](C[NH3+])n1cc(CC[NH+]2CCCCC2)nn1 ZINC000656458206 411268347 /nfs/dbraw/zinc/26/83/47/411268347.db2.gz PPHUGCSKVSFBNX-LLVKDONJSA-N 2 0 237.351 0.826 20 0 BCADRP CC[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000402599003 411270339 /nfs/dbraw/zinc/27/03/39/411270339.db2.gz PXEXRGSVTMMLCT-ZDUSSCGKSA-N 2 0 241.379 0.393 20 0 BCADRP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH2+]C)CC[C@H]1[NH3+] ZINC000659637660 411273256 /nfs/dbraw/zinc/27/32/56/411273256.db2.gz CVFHGGSZFJFDGQ-HBNTYKKESA-N 2 0 242.367 0.363 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000394672048 411276492 /nfs/dbraw/zinc/27/64/92/411276492.db2.gz XWMIROLHVABTDA-OUAUKWLOSA-N 2 0 216.325 0.101 20 0 BCADRP Cn1cncc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401668962 411276709 /nfs/dbraw/zinc/27/67/09/411276709.db2.gz JTMZOZVFVCWMQG-RWMBFGLXSA-N 2 0 248.374 0.940 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NC(C)(C)CC[NH3+] ZINC000659642462 411277447 /nfs/dbraw/zinc/27/74/47/411277447.db2.gz KRYAJZCEJJDSCZ-QMMMGPOBSA-N 2 0 216.329 0.021 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000659642164 411277688 /nfs/dbraw/zinc/27/76/88/411277688.db2.gz VVYUUFIPVBUMGW-JTQLQIEISA-N 2 0 242.367 0.330 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000659642183 411277741 /nfs/dbraw/zinc/27/77/41/411277741.db2.gz JTASSOOJHGNRTL-GHMZBOCLSA-N 2 0 242.367 0.330 20 0 BCADRP [NH3+]CCCc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656466346 411278344 /nfs/dbraw/zinc/27/83/44/411278344.db2.gz DCWGBJOQOLNWFU-JTQLQIEISA-N 2 0 209.297 0.094 20 0 BCADRP C[NH2+][C@H](C)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656467002 411279027 /nfs/dbraw/zinc/27/90/27/411279027.db2.gz IXLCSEGBNRPWBZ-RKDXNWHRSA-N 2 0 209.297 0.483 20 0 BCADRP c1c(C[NH2+]CC2CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000656466735 411279392 /nfs/dbraw/zinc/27/93/92/411279392.db2.gz HNNMXDSOOMLCJM-LLVKDONJSA-N 2 0 221.308 0.312 20 0 BCADRP [NH3+]CCCCc1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656467282 411279468 /nfs/dbraw/zinc/27/94/68/411279468.db2.gz MXELRPFGYQSUHM-LLVKDONJSA-N 2 0 223.324 0.484 20 0 BCADRP C[NH2+]C(C)(C)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656467675 411279720 /nfs/dbraw/zinc/27/97/20/411279720.db2.gz QNHPCVXEXWLTLD-VIFPVBQESA-N 2 0 223.324 0.657 20 0 BCADRP c1c(C[NH2+]C2CC2)nnn1[C@H]1CCC[NH2+]C1 ZINC000656468489 411281002 /nfs/dbraw/zinc/28/10/02/411281002.db2.gz MMYHNMGZUNCELJ-NSHDSACASA-N 2 0 221.308 0.455 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[NH+](C)C ZINC000649359078 411281563 /nfs/dbraw/zinc/28/15/63/411281563.db2.gz NGFDRDINFBRMCC-LPEHRKFASA-N 2 0 213.325 0.051 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC1CCC([NH3+])CC1 ZINC000051694913 411281872 /nfs/dbraw/zinc/28/18/72/411281872.db2.gz OTWPEARJXMCENB-UHFFFAOYSA-N 2 0 227.352 0.761 20 0 BCADRP CC[C@@H]([NH3+])C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000130422411 411283494 /nfs/dbraw/zinc/28/34/94/411283494.db2.gz SPCRRSUTWZUDIB-SNVBAGLBSA-N 2 0 239.323 0.121 20 0 BCADRP NC(=[NH2+])NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000656508470 411288372 /nfs/dbraw/zinc/28/83/72/411288372.db2.gz GVKLVWOQHXIRGV-GFCCVEGCSA-N 2 0 248.330 0.236 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000659643295 411293980 /nfs/dbraw/zinc/29/39/80/411293980.db2.gz PYFQCTMUSMKSIG-QWRGUYRKSA-N 2 0 242.367 0.235 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000659302114 411294293 /nfs/dbraw/zinc/29/42/93/411294293.db2.gz GUILFNXDCLIUMS-LBPRGKRZSA-N 2 0 227.352 0.490 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000659302333 411294362 /nfs/dbraw/zinc/29/43/62/411294362.db2.gz ICSISVMCUKCSLY-SDDRHHMPSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)[NH2+]CC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000659302960 411295481 /nfs/dbraw/zinc/29/54/81/411295481.db2.gz CZZILZKXQOKLHP-UHFFFAOYSA-N 2 0 247.342 0.904 20 0 BCADRP CCCN(C[C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000309853157 411296162 /nfs/dbraw/zinc/29/61/62/411296162.db2.gz ZBDFLNFKPUIZTL-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062980242 411330590 /nfs/dbraw/zinc/33/05/90/411330590.db2.gz FHHJAEUFJKWHCV-CHWSQXEVSA-N 2 0 223.364 0.766 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000331900798 167902488 /nfs/dbraw/zinc/90/24/88/167902488.db2.gz SFRUFWWBJNURCZ-QWRGUYRKSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+]CCOCCN1CCCc2cccc(C[NH3+])c21 ZINC000629558933 411324707 /nfs/dbraw/zinc/32/47/07/411324707.db2.gz ATSNRMYGDSGKTJ-UHFFFAOYSA-N 2 0 249.358 0.873 20 0 BCADRP C[NH+](C)CCCn1cc(Cn2ccnc2)nn1 ZINC000656437319 411248652 /nfs/dbraw/zinc/24/86/52/411248652.db2.gz MIVLDEYGLIYNQH-UHFFFAOYSA-N 2 0 234.307 0.475 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000653444607 411255797 /nfs/dbraw/zinc/25/57/97/411255797.db2.gz ZHGUPCOHGZLPCE-KYXWUPHJSA-N 2 0 211.309 0.062 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000653444717 411256072 /nfs/dbraw/zinc/25/60/72/411256072.db2.gz BILBAPYSSKQGGM-WOPDTQHZSA-N 2 0 239.363 0.857 20 0 BCADRP [NH3+]CCCC(=O)Nc1cccc(C[NH3+])c1 ZINC000050285694 411256281 /nfs/dbraw/zinc/25/62/81/411256281.db2.gz DXDKWWYZHONQJQ-UHFFFAOYSA-N 2 0 207.277 0.823 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653444481 411256289 /nfs/dbraw/zinc/25/62/89/411256289.db2.gz GHNJCTBYENZENN-NNYUYHANSA-N 2 0 239.363 0.842 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)CC[N@@H+]1C ZINC000653444548 411256577 /nfs/dbraw/zinc/25/65/77/411256577.db2.gz QQMFKGSWCWEEOR-IRCOFANPSA-N 2 0 239.363 0.665 20 0 BCADRP Nc1nc(N2CC[NH2+]CC2)c2c([nH+]1)CCCC2 ZINC000114201135 411258110 /nfs/dbraw/zinc/25/81/10/411258110.db2.gz LSGJBHZZOHCTAU-UHFFFAOYSA-N 2 0 233.319 0.347 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000659326006 411353422 /nfs/dbraw/zinc/35/34/22/411353422.db2.gz PKBMQLUJRLZPEO-VIFPVBQESA-N 2 0 215.341 0.474 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000130567633 411358222 /nfs/dbraw/zinc/35/82/22/411358222.db2.gz ISLJZUGIEBXEOJ-NWDGAFQWSA-N 2 0 241.379 0.914 20 0 BCADRP c1cn(C[C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC000656787584 411366125 /nfs/dbraw/zinc/36/61/25/411366125.db2.gz NXTLPRKJSIMVDP-CHWSQXEVSA-N 2 0 249.362 0.600 20 0 BCADRP CC[N@@H+]1CC[C@@H](N[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000656788226 411367075 /nfs/dbraw/zinc/36/70/75/411367075.db2.gz WWNDESOMUPWAEZ-SDDRHHMPSA-N 2 0 211.353 0.668 20 0 BCADRP C[N@H+](CC1CC[NH2+]CC1)C[C@H]1COCCO1 ZINC000656790579 411370530 /nfs/dbraw/zinc/37/05/30/411370530.db2.gz BIJHLFSMKWBUPY-LBPRGKRZSA-N 2 0 228.336 0.333 20 0 BCADRP C[C@]1(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)CC[NH2+]C1 ZINC000656790885 411370867 /nfs/dbraw/zinc/37/08/67/411370867.db2.gz BXMDPJRNCJGPQA-AGIUHOORSA-N 2 0 224.348 0.954 20 0 BCADRP C[C@]1(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)CC[NH2+]C1 ZINC000656790890 411371218 /nfs/dbraw/zinc/37/12/18/411371218.db2.gz BXMDPJRNCJGPQA-AVGNSLFASA-N 2 0 224.348 0.954 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH2+]C[C@]1(C)CC1(F)F ZINC000656710567 411335938 /nfs/dbraw/zinc/33/59/38/411335938.db2.gz KAFOOKPBFRNRKS-UWVGGRQHSA-N 2 0 236.306 0.934 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000659313014 411337257 /nfs/dbraw/zinc/33/72/57/411337257.db2.gz KTMGPULAWQXGEZ-JTQLQIEISA-N 2 0 225.336 0.243 20 0 BCADRP CN(C[C@@H](O)C[NH2+]CCc1ccoc1)C1CC1 ZINC000656714637 411338664 /nfs/dbraw/zinc/33/86/64/411338664.db2.gz QHYHUNGLDHGDJZ-ZDUSSCGKSA-N 2 0 238.331 0.867 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC1CCC([NH3+])CC1 ZINC000069840149 411372276 /nfs/dbraw/zinc/37/22/76/411372276.db2.gz CAORYMWPYQGHAZ-IDKOKCKLSA-N 2 0 213.325 0.500 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)C1CC1 ZINC000372906472 411340255 /nfs/dbraw/zinc/34/02/55/411340255.db2.gz OLOJTWXFHZXNBV-QWRGUYRKSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000054344160 168179579 /nfs/dbraw/zinc/17/95/79/168179579.db2.gz SPAHBGYLSPDYID-GFCCVEGCSA-N 2 0 241.379 0.819 20 0 BCADRP C[C@H](CNC(=O)CC[NH3+])[NH+]1CCC(C)CC1 ZINC000236626854 168186831 /nfs/dbraw/zinc/18/68/31/168186831.db2.gz HWPLHXMRKJPMDS-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP COC[C@H](C[NH+]1CCC(C[NH3+])CC1)OC ZINC000662233513 411382428 /nfs/dbraw/zinc/38/24/28/411382428.db2.gz GBBXLISKUUOHCK-NSHDSACASA-N 2 0 216.325 0.319 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CC[C@]2(O)CCOC2)CC[N@@H+]1C ZINC000404219856 411383972 /nfs/dbraw/zinc/38/39/72/411383972.db2.gz KDWAZMDGBJNPQR-AGIUHOORSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CC[C@@]2(O)CCOC2)CC[N@@H+]1C ZINC000404219860 411384587 /nfs/dbraw/zinc/38/45/87/411384587.db2.gz KDWAZMDGBJNPQR-JHJVBQTASA-N 2 0 242.363 0.600 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000659509149 411464400 /nfs/dbraw/zinc/46/44/00/411464400.db2.gz XITXKJIXGYFPIE-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C[C@H](C)[NH3+] ZINC000638277671 411460254 /nfs/dbraw/zinc/46/02/54/411460254.db2.gz TZNFBRWVGWAPRW-WDEREUQCSA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659378780 411392789 /nfs/dbraw/zinc/39/27/89/411392789.db2.gz CUXARIZOTQGRIH-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000659316056 411393070 /nfs/dbraw/zinc/39/30/70/411393070.db2.gz ZUAXOCNVRLCGQC-WDEREUQCSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000659326884 411394422 /nfs/dbraw/zinc/39/44/22/411394422.db2.gz AMYACMOQBFLSGQ-LLVKDONJSA-N 2 0 239.363 0.775 20 0 BCADRP O=C(NC1CC[NH2+]CC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653043072 411401505 /nfs/dbraw/zinc/40/15/05/411401505.db2.gz YULDDUIJJNMRSV-NEPJUHHUSA-N 2 0 237.347 0.385 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653046611 411402515 /nfs/dbraw/zinc/40/25/15/411402515.db2.gz GZQRVZQRVIUQGI-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653045579 411403223 /nfs/dbraw/zinc/40/32/23/411403223.db2.gz ZPLIUVAEOWGQQX-NWDGAFQWSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)O[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000404653955 411403313 /nfs/dbraw/zinc/40/33/13/411403313.db2.gz SFPXHDXYLYYFPD-LBPRGKRZSA-N 2 0 230.352 0.851 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653048276 411404312 /nfs/dbraw/zinc/40/43/12/411404312.db2.gz UEFGIABNGZPLFV-GHMZBOCLSA-N 2 0 225.336 0.243 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653048277 411404421 /nfs/dbraw/zinc/40/44/21/411404421.db2.gz UEFGIABNGZPLFV-MNOVXSKESA-N 2 0 225.336 0.243 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653051269 411404873 /nfs/dbraw/zinc/40/48/73/411404873.db2.gz QGRUHGQLBBRDMG-RYUDHWBXSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000653050576 411405233 /nfs/dbraw/zinc/40/52/33/411405233.db2.gz CEXRWCMCDBBNPI-MFKMUULPSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000653050791 411405262 /nfs/dbraw/zinc/40/52/62/411405262.db2.gz WZTMYBBLRUIHHB-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@@H](C)[NH3+] ZINC000659388570 411410598 /nfs/dbraw/zinc/41/05/98/411410598.db2.gz KJACGGOAGYZTGP-GWOFURMSSA-N 2 0 245.342 0.504 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659388922 411410621 /nfs/dbraw/zinc/41/06/21/411410621.db2.gz NUKKQWIAWPOCRQ-LNFKQOIKSA-N 2 0 243.326 0.272 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)N[C@@H](C)C[NH2+]C ZINC000659455169 411412756 /nfs/dbraw/zinc/41/27/56/411412756.db2.gz UQEZEZADEHTOES-NSHDSACASA-N 2 0 244.383 0.625 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659444893 411415229 /nfs/dbraw/zinc/41/52/29/411415229.db2.gz BTIXJZLLPZBPHH-JTQLQIEISA-N 2 0 244.383 0.705 20 0 BCADRP CC[NH2+]CCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659505260 411423309 /nfs/dbraw/zinc/42/33/09/411423309.db2.gz KNCXYYJCOYPBRP-UHFFFAOYSA-N 2 0 240.351 0.119 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000659513950 411424710 /nfs/dbraw/zinc/42/47/10/411424710.db2.gz MUGJQEFNPZEVES-SNVBAGLBSA-N 2 0 242.367 0.365 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)NCCC[NH3+] ZINC000659511032 411425046 /nfs/dbraw/zinc/42/50/46/411425046.db2.gz UMCQHKOTAHXOCX-SECBINFHSA-N 2 0 216.329 0.008 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659517071 411426227 /nfs/dbraw/zinc/42/62/27/411426227.db2.gz MNWGKTDDPXYSKC-VIFPVBQESA-N 2 0 230.356 0.348 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)NCC1([NH3+])CCC1 ZINC000659530391 411430004 /nfs/dbraw/zinc/43/00/04/411430004.db2.gz RBQPKWDYLYBTIW-SNVBAGLBSA-N 2 0 242.367 0.540 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659549614 411430919 /nfs/dbraw/zinc/43/09/19/411430919.db2.gz OAARCKXDGHSTSI-QMMMGPOBSA-N 2 0 216.329 0.102 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659536321 411431360 /nfs/dbraw/zinc/43/13/60/411431360.db2.gz FMWJONYZIMXFJH-GHMZBOCLSA-N 2 0 244.383 0.657 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH3+])C1 ZINC000659541090 411431871 /nfs/dbraw/zinc/43/18/71/411431871.db2.gz ZOJLCXDMIQTUSB-ZJUUUORDSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659551076 411434455 /nfs/dbraw/zinc/43/44/55/411434455.db2.gz SVNLXAWLEQNXDY-RCWTZXSCSA-N 2 0 242.367 0.491 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)CCC[NH3+] ZINC000659552369 411434785 /nfs/dbraw/zinc/43/47/85/411434785.db2.gz FYQZCVNMATUSGB-WDEREUQCSA-N 2 0 244.383 0.786 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000659556531 411435420 /nfs/dbraw/zinc/43/54/20/411435420.db2.gz YSCWCSBSPLVOND-VHSXEESVSA-N 2 0 242.367 0.493 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659553714 411435431 /nfs/dbraw/zinc/43/54/31/411435431.db2.gz AYKZWOODUFLGTC-SKMKEBHYSA-N 2 0 240.351 0.245 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000659556621 411435452 /nfs/dbraw/zinc/43/54/52/411435452.db2.gz ZZAFNZVAYNRKCX-IVZWLZJFSA-N 2 0 228.340 0.021 20 0 BCADRP CN(C(=O)NCC1([NH3+])CCCC1)C1CC([NH3+])C1 ZINC000659575568 411439468 /nfs/dbraw/zinc/43/94/68/411439468.db2.gz PZNGFTAGQDQTMS-UHFFFAOYSA-N 2 0 240.351 0.389 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000070619153 411440618 /nfs/dbraw/zinc/44/06/18/411440618.db2.gz NXJLMNLODVGMPL-JQWIXIFHSA-N 2 0 227.352 0.585 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000070619050 411440806 /nfs/dbraw/zinc/44/08/06/411440806.db2.gz QSMPNUYFXPRVEX-JQWIXIFHSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)C1 ZINC000659619065 411442159 /nfs/dbraw/zinc/44/21/59/411442159.db2.gz MAFHDKJJNGRKQA-WDEREUQCSA-N 2 0 242.367 0.363 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC(CC[NH3+])CC1 ZINC000659636293 411445142 /nfs/dbraw/zinc/44/51/42/411445142.db2.gz OVJQWPXZAOEZIE-SNVBAGLBSA-N 2 0 242.367 0.365 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NCC[N@H+]1CC=CCC1 ZINC000659635974 411445176 /nfs/dbraw/zinc/44/51/76/411445176.db2.gz SFHNPATVRVIAAI-NSHDSACASA-N 2 0 240.351 0.155 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000659643316 411446714 /nfs/dbraw/zinc/44/67/14/411446714.db2.gz QNXPXXJGDFLLPI-MXWKQRLJSA-N 2 0 242.367 0.328 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000659644727 411447233 /nfs/dbraw/zinc/44/72/33/411447233.db2.gz YONMVBNRFRLXAG-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](C)C[NH2+]C ZINC000418401318 411449440 /nfs/dbraw/zinc/44/94/40/411449440.db2.gz YPNKFKAKXOAJIS-QWRGUYRKSA-N 2 0 244.383 0.659 20 0 BCADRP CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C)C1 ZINC000340115267 411454058 /nfs/dbraw/zinc/45/40/58/411454058.db2.gz CCWGYUMCFCTCFE-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000659515046 411468422 /nfs/dbraw/zinc/46/84/22/411468422.db2.gz HJAZTWYEXMBNCP-SECBINFHSA-N 2 0 228.340 0.117 20 0 BCADRP O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCC[NH2+]CC1 ZINC000407252773 411476268 /nfs/dbraw/zinc/47/62/68/411476268.db2.gz HVHDLLNKLHAJBS-NWDGAFQWSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000659523252 411480875 /nfs/dbraw/zinc/48/08/75/411480875.db2.gz SAMUJQSXZBVHNM-VHSXEESVSA-N 2 0 230.356 0.267 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407348867 411481082 /nfs/dbraw/zinc/48/10/82/411481082.db2.gz LXKHMRHUBBAHSR-NWDGAFQWSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)CO1 ZINC000657370323 411484016 /nfs/dbraw/zinc/48/40/16/411484016.db2.gz BRMATRIORDZGKZ-NWDGAFQWSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@H](CC(=O)N[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000127441630 411488683 /nfs/dbraw/zinc/48/86/83/411488683.db2.gz IJZXEJRNUUNWGQ-PWSUYJOCSA-N 2 0 239.363 0.490 20 0 BCADRP c1cncc([C@@H]2C[NH2+]CCN2C[C@@H]2CC[NH2+]C2)c1 ZINC000647952928 411495368 /nfs/dbraw/zinc/49/53/68/411495368.db2.gz FPCPAGLVGRLYSO-OCCSQVGLSA-N 2 0 246.358 0.637 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000309478802 411497499 /nfs/dbraw/zinc/49/74/99/411497499.db2.gz CWHBQGHFXDODFP-RKDXNWHRSA-N 2 0 213.325 0.099 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)NC[C@@H]1CCCC[NH2+]1 ZINC000127629441 411498043 /nfs/dbraw/zinc/49/80/43/411498043.db2.gz FNOCGBWKYZUDEE-MNOVXSKESA-N 2 0 225.336 0.244 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000127655393 411499825 /nfs/dbraw/zinc/49/98/25/411499825.db2.gz XVEFZSFBRMEQBY-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)N(C)CC(C)(C)[NH3+])CC[NH2+]1 ZINC000659535621 411500974 /nfs/dbraw/zinc/50/09/74/411500974.db2.gz BMOWDAJWNMTQEO-NXEZZACHSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])CC[NH2+]1 ZINC000659535622 411501037 /nfs/dbraw/zinc/50/10/37/411501037.db2.gz BMOWDAJWNMTQEO-UWVGGRQHSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH2+]C2)[C@@H]1C[NH3+] ZINC000127663053 411501085 /nfs/dbraw/zinc/50/10/85/411501085.db2.gz BDNUKXPZNSKMIR-GRYCIOLGSA-N 2 0 239.363 0.572 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638927145 411514312 /nfs/dbraw/zinc/51/43/12/411514312.db2.gz RPXBLFXTLDNMSR-AXFHLTTASA-N 2 0 237.347 0.337 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806241 411520347 /nfs/dbraw/zinc/52/03/47/411520347.db2.gz SIBDIQIARPEBPU-FVCCEPFGSA-N 2 0 225.380 0.866 20 0 BCADRP Cn1nccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827025 411529874 /nfs/dbraw/zinc/52/98/74/411529874.db2.gz NMTVOIUVFYSYFV-KLPPZKSPSA-N 2 0 222.336 0.850 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000655829607 411530540 /nfs/dbraw/zinc/53/05/40/411530540.db2.gz NURAJSNHKBDCHS-CKYFFXLPSA-N 2 0 249.362 0.212 20 0 BCADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CO1 ZINC000657325175 411465018 /nfs/dbraw/zinc/46/50/18/411465018.db2.gz GJJXOUMKOXEADI-YNEHKIRRSA-N 2 0 242.363 0.600 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000037643428 170006636 /nfs/dbraw/zinc/00/66/36/170006636.db2.gz MVDWWAOZGDUZLK-NSHDSACASA-N 2 0 239.363 0.444 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000037643427 170015389 /nfs/dbraw/zinc/01/53/89/170015389.db2.gz MVDWWAOZGDUZLK-LLVKDONJSA-N 2 0 239.363 0.444 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)CCO)C[C@@H]1C ZINC000336670380 170018360 /nfs/dbraw/zinc/01/83/60/170018360.db2.gz GJAIFTYDOFSICW-QWRGUYRKSA-N 2 0 200.326 0.783 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCC[NH3+])C[C@@H]1C ZINC000357065271 170019070 /nfs/dbraw/zinc/01/90/70/170019070.db2.gz ABXNLHFIEQXVHO-STQMWFEESA-N 3 0 243.395 0.766 20 0 BCADRP CC[N@@H+]1C[C@@H](C)[C@@H](NCCC[NH+](C)C)C1 ZINC000336768131 170030604 /nfs/dbraw/zinc/03/06/04/170030604.db2.gz TTXPKPMZUVGPAO-NEPJUHHUSA-N 2 0 213.369 0.868 20 0 BCADRP CC[N@H+]1C[C@H](NCCC[NH+](C)C)[C@@H](C)C1 ZINC000336768133 170035138 /nfs/dbraw/zinc/03/51/38/170035138.db2.gz TTXPKPMZUVGPAO-RYUDHWBXSA-N 2 0 213.369 0.868 20 0 BCADRP CCNC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063199723 170058324 /nfs/dbraw/zinc/05/83/24/170058324.db2.gz DQHXDQLJKSVEQY-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP CCNC(=O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000069730464 170058588 /nfs/dbraw/zinc/05/85/88/170058588.db2.gz PYHRMUQRWSFMDX-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000236942236 170114231 /nfs/dbraw/zinc/11/42/31/170114231.db2.gz IWSDESDMVWHPDB-ZDUSSCGKSA-N 2 0 247.342 0.427 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000131797098 170114285 /nfs/dbraw/zinc/11/42/85/170114285.db2.gz BZFIXISVXQQHQT-SRVKXCTJSA-N 2 0 239.363 0.633 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000368126226 170114307 /nfs/dbraw/zinc/11/43/07/170114307.db2.gz QAYKJYFYUARTDW-QWRGUYRKSA-N 2 0 227.352 0.346 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000373864181 170114430 /nfs/dbraw/zinc/11/44/30/170114430.db2.gz UZHDTXZPMZZFTK-ZYHUDNBSSA-N 2 0 225.336 0.102 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000236915088 170114646 /nfs/dbraw/zinc/11/46/46/170114646.db2.gz JQGPZNGKCDOZLX-VXGBXAGGSA-N 2 0 241.379 0.738 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368125784 170114820 /nfs/dbraw/zinc/11/48/20/170114820.db2.gz NFPFQCPCBJWWCQ-NWDGAFQWSA-N 2 0 239.363 0.348 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000262680429 170114842 /nfs/dbraw/zinc/11/48/42/170114842.db2.gz VTEZFPVZLXGKBD-GFCCVEGCSA-N 2 0 235.331 0.721 20 0 BCADRP CC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000358914780 170138721 /nfs/dbraw/zinc/13/87/21/170138721.db2.gz MLHVHIQTTOFUOU-WDEREUQCSA-N 2 0 229.368 0.687 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000358914778 170157862 /nfs/dbraw/zinc/15/78/62/170157862.db2.gz MLHVHIQTTOFUOU-MNOVXSKESA-N 2 0 229.368 0.687 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000366449364 170157882 /nfs/dbraw/zinc/15/78/82/170157882.db2.gz NVYHCAUIBSXKJT-CKYFFXLPSA-N 2 0 225.336 0.100 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@]1(CC)CC[NH2+]C1 ZINC000366445902 170157912 /nfs/dbraw/zinc/15/79/12/170157912.db2.gz IQPKAUUOZUEBHW-PWSUYJOCSA-N 2 0 227.352 0.490 20 0 BCADRP CCOC(=O)C(C)(C)NCCn1ccnc1 ZINC000270910254 170187237 /nfs/dbraw/zinc/18/72/37/170187237.db2.gz SRRKRXXCGZMUPC-UHFFFAOYSA-N 2 0 225.292 0.814 20 0 BCADRP CCOC(=O)CC[N@H+](C)CCn1ccnc1 ZINC000050067285 170203985 /nfs/dbraw/zinc/20/39/85/170203985.db2.gz ZJXVZIYKYMHFCP-UHFFFAOYSA-N 2 0 225.292 0.768 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000070946170 411563554 /nfs/dbraw/zinc/56/35/54/411563554.db2.gz XTDSIEYKPXKMNE-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP CCOC1CC([NH2+][C@H]2CCN(CCOC)C2)C1 ZINC000328339601 170330475 /nfs/dbraw/zinc/33/04/75/170330475.db2.gz KLWVTZMEPKAZAJ-HIFPTAJRSA-N 2 0 242.363 0.864 20 0 BCADRP CCOCCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000336711949 170373340 /nfs/dbraw/zinc/37/33/40/170373340.db2.gz QDVGAKOSYARKOL-ZDUSSCGKSA-N 2 0 241.379 0.393 20 0 BCADRP CN1CCC([NH2+][C@@H]2C[C@@H](O)C23CCC3)CC1 ZINC000657704258 411584038 /nfs/dbraw/zinc/58/40/38/411584038.db2.gz RJVLNNVHNJUTQK-VXGBXAGGSA-N 2 0 224.348 0.974 20 0 BCADRP c1cn(CC[N@@H+]2CCn3cncc3C2)cn1 ZINC000660582281 411602782 /nfs/dbraw/zinc/60/27/82/411602782.db2.gz OJVRYOUNQPJTNN-UHFFFAOYSA-N 2 0 217.276 0.595 20 0 BCADRP OCCCCC[N@@H+]1CCn2cncc2C1 ZINC000660580223 411602943 /nfs/dbraw/zinc/60/29/43/411602943.db2.gz NCUIJCMDMZRRIN-UHFFFAOYSA-N 2 0 209.293 0.861 20 0 BCADRP C[C@@H](Cn1cncn1)[NH2+][C@H]1CCCN(C)C1 ZINC000657843767 411610739 /nfs/dbraw/zinc/61/07/39/411610739.db2.gz HHPAJSLUUYNDNM-QWRGUYRKSA-N 2 0 223.324 0.350 20 0 BCADRP CN(CCC[NH3+])CC(=O)Nc1nccs1 ZINC000133217863 411657816 /nfs/dbraw/zinc/65/78/16/411657816.db2.gz FFQFAJBSAOMNLO-UHFFFAOYSA-N 2 0 228.321 0.362 20 0 BCADRP [NH3+]CC1(CC[NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC000663496510 411669159 /nfs/dbraw/zinc/66/91/59/411669159.db2.gz HGOFBZJHFQMQSW-ZYHUDNBSSA-N 3 0 209.337 0.315 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663492681 411671540 /nfs/dbraw/zinc/67/15/40/411671540.db2.gz AZNMAYDATAOPPR-RWMBFGLXSA-N 3 0 223.364 0.657 20 0 BCADRP CN(CC(C)(C)C[NH3+])C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494012 411672565 /nfs/dbraw/zinc/67/25/65/411672565.db2.gz GQLYJCFMIGOYFQ-PWSUYJOCSA-N 2 0 211.353 0.513 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663497248 411679462 /nfs/dbraw/zinc/67/94/62/411679462.db2.gz MFZUQNIPLJHWLW-WYUUTHIRSA-N 2 0 209.337 0.455 20 0 BCADRP C[C@]1(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH2+]C1 ZINC000663500050 411684454 /nfs/dbraw/zinc/68/44/54/411684454.db2.gz IMZFEFWNHBWVJM-AVGNSLFASA-N 2 0 224.348 0.954 20 0 BCADRP C[NH2+][C@@H](C)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000568235519 322929313 /nfs/dbraw/zinc/92/93/13/322929313.db2.gz QXPLFIIYDHIMMT-VIFPVBQESA-N 2 0 233.315 0.879 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000663505488 411688596 /nfs/dbraw/zinc/68/85/96/411688596.db2.gz IWOJWTBCLDWRID-GMTAPVOTSA-N 2 0 217.332 0.731 20 0 BCADRP CC[C@@H](C(=O)NCCCC[NH3+])[NH+](CC)CC ZINC000357794123 170663663 /nfs/dbraw/zinc/66/36/63/170663663.db2.gz NTRSKXLOYASYTI-NSHDSACASA-N 2 0 229.368 0.962 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cnc(N)s2)C[C@@]1(C)C[NH3+] ZINC000415055941 411909855 /nfs/dbraw/zinc/90/98/55/411909855.db2.gz NMCUBJOUCCHLJC-LDYMZIIASA-N 2 0 240.376 1.142 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(N)nc2)C1 ZINC000647509897 411920389 /nfs/dbraw/zinc/92/03/89/411920389.db2.gz PFAKLEOMFZKNBQ-GXSJLCMTSA-N 2 0 220.320 0.833 20 0 BCADRP C[C@H]([NH2+]Cc1ccc(N)nc1)[C@@H]1CCC[NH2+]C1 ZINC000647546202 411922532 /nfs/dbraw/zinc/92/25/32/411922532.db2.gz FJOLDGDMYQJIGW-CMPLNLGQSA-N 2 0 234.347 1.142 20 0 BCADRP Nc1ncc(C[NH2+]CC[C@H]2CC[NH2+]C2)s1 ZINC000571800498 411964791 /nfs/dbraw/zinc/96/47/91/411964791.db2.gz AVESSWDWRMXTGB-MRVPVSSYSA-N 2 0 226.349 0.815 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000357254744 170863115 /nfs/dbraw/zinc/86/31/15/170863115.db2.gz ZABQYUGOZYKKQU-CHWSQXEVSA-N 2 0 247.342 0.727 20 0 BCADRP Nc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccn1 ZINC000647830313 411977213 /nfs/dbraw/zinc/97/72/13/411977213.db2.gz GRXDCJQKTIMXOU-SNVBAGLBSA-N 2 0 206.293 0.444 20 0 BCADRP Nc1nc(NC2CC[NH2+]CC2)c2c([nH+]1)CCCC2 ZINC000630552757 411978019 /nfs/dbraw/zinc/97/80/19/411978019.db2.gz KPOGYUUPLYWYPD-UHFFFAOYSA-N 2 0 247.346 0.523 20 0 BCADRP Nc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000647548090 411958556 /nfs/dbraw/zinc/95/85/56/411958556.db2.gz VBEPTOGIIBHLER-LLVKDONJSA-N 2 0 232.331 0.896 20 0 BCADRP CCN1CC[C@H]([N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)C1=O ZINC000662267003 412058885 /nfs/dbraw/zinc/05/88/85/412058885.db2.gz RLSJTAQGBHCHRA-VWYCJHECSA-N 2 0 225.336 0.276 20 0 BCADRP COC[C@H](C[N@H+](C1CC1)C1CC[NH2+]CC1)OC ZINC000662234211 412032268 /nfs/dbraw/zinc/03/22/68/412032268.db2.gz JTXRMPQJSWQKIF-ZDUSSCGKSA-N 2 0 242.363 0.864 20 0 BCADRP COC[C@H](CN1CCCC[C@H]1[C@H](C)[NH3+])OC ZINC000662235797 412033994 /nfs/dbraw/zinc/03/39/94/412033994.db2.gz SVVGTPZYEFBBGG-SRVKXCTJSA-N 2 0 230.352 0.850 20 0 BCADRP CC1(C)C[NH2+]CCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662243971 412038765 /nfs/dbraw/zinc/03/87/65/412038765.db2.gz FFMSABLISIRRPI-NSHDSACASA-N 2 0 239.363 0.191 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000662245003 412040765 /nfs/dbraw/zinc/04/07/65/412040765.db2.gz KUDDVUYHBQVMOI-SRVKXCTJSA-N 2 0 227.352 0.034 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662245114 412040904 /nfs/dbraw/zinc/04/09/04/412040904.db2.gz KOEIUCSQBFPCBY-NEPJUHHUSA-N 3 0 239.363 0.191 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000662245002 412040997 /nfs/dbraw/zinc/04/09/97/412040997.db2.gz KUDDVUYHBQVMOI-SDDRHHMPSA-N 2 0 227.352 0.034 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000662245001 412041406 /nfs/dbraw/zinc/04/14/06/412041406.db2.gz KUDDVUYHBQVMOI-QJPTWQEYSA-N 2 0 227.352 0.034 20 0 BCADRP CCc1nnc([C@@H](C)N2CC[C@@H](C[NH3+])C2)[nH]1 ZINC000662245134 412042065 /nfs/dbraw/zinc/04/20/65/412042065.db2.gz RQDUMKQZQDCGRA-BDAKNGLRSA-N 2 0 223.324 0.709 20 0 BCADRP CCN1CC[C@@H](N2CC[C@@H](C[NH2+]C)C2)C1=O ZINC000662245146 412042091 /nfs/dbraw/zinc/04/20/91/412042091.db2.gz HWUNWEDFILZYCG-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP [NH3+]C[C@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662246818 412042874 /nfs/dbraw/zinc/04/28/74/412042874.db2.gz SGNLQJUUPGTLEL-BDAKNGLRSA-N 2 0 220.263 0.691 20 0 BCADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662247871 412044121 /nfs/dbraw/zinc/04/41/21/412044121.db2.gz NNGIJSGLGCVFLL-NEPJUHHUSA-N 3 0 241.379 0.470 20 0 BCADRP CN(CCC[NH3+])CCc1nnn(C(C)(C)C)n1 ZINC000662247446 412045231 /nfs/dbraw/zinc/04/52/31/412045231.db2.gz YLSWGBNMPKZWRD-UHFFFAOYSA-N 2 0 240.355 0.251 20 0 BCADRP CC[C@@H]1COCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252893 412048428 /nfs/dbraw/zinc/04/84/28/412048428.db2.gz RBCOLDAPXSKGOJ-VXGBXAGGSA-N 2 0 240.347 0.618 20 0 BCADRP COC[C@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255080 412049295 /nfs/dbraw/zinc/04/92/95/412049295.db2.gz OFXHTDIAXWOQQN-NWDGAFQWSA-N 2 0 240.347 0.476 20 0 BCADRP C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255087 412049799 /nfs/dbraw/zinc/04/97/99/412049799.db2.gz OGBBCQBRIRIMII-MNOVXSKESA-N 2 0 210.321 0.992 20 0 BCADRP C[C@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCCO1 ZINC000662255256 412051043 /nfs/dbraw/zinc/05/10/43/412051043.db2.gz BOCLAASHNSJMQA-RYUDHWBXSA-N 2 0 240.347 0.618 20 0 BCADRP CCN1CC[C@H]([N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)C1=O ZINC000662265255 412055475 /nfs/dbraw/zinc/05/54/75/412055475.db2.gz OQVOIFKKPZBCPI-MXWKQRLJSA-N 2 0 225.336 0.276 20 0 BCADRP CCN1CC[C@H]([N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)C1=O ZINC000662265253 412056307 /nfs/dbraw/zinc/05/63/07/412056307.db2.gz OQVOIFKKPZBCPI-DCAQKATOSA-N 2 0 225.336 0.276 20 0 BCADRP COC[C@H](C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)OC ZINC000662265552 412058175 /nfs/dbraw/zinc/05/81/75/412058175.db2.gz QXKRMOIVGLMIMP-VWYCJHECSA-N 2 0 216.325 0.317 20 0 BCADRP CC[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCS1 ZINC000133029038 171080657 /nfs/dbraw/zinc/08/06/57/171080657.db2.gz HRRZWHHQJCYMPZ-GFCCVEGCSA-N 2 0 243.420 0.719 20 0 BCADRP CC[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000662270757 412062459 /nfs/dbraw/zinc/06/24/59/412062459.db2.gz MWJJVOMOZOFUFA-GRYCIOLGSA-N 2 0 227.352 0.034 20 0 BCADRP CN1CCC[C@H]([N@@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000662272321 412063141 /nfs/dbraw/zinc/06/31/41/412063141.db2.gz DXYGLPDYHBSQGG-JQWIXIFHSA-N 2 0 225.336 0.278 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H](C)[NH3+] ZINC000370767543 171099372 /nfs/dbraw/zinc/09/93/72/171099372.db2.gz VBWBZBCTJAYUKF-IJLUTSLNSA-N 2 0 239.363 0.809 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000353528470 171146035 /nfs/dbraw/zinc/14/60/35/171146035.db2.gz SWJNJNTVDGUZRU-RHYQMDGZSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000353138427 171146333 /nfs/dbraw/zinc/14/63/33/171146333.db2.gz CNWZQPSSORXRQG-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000353461020 171146995 /nfs/dbraw/zinc/14/69/95/171146995.db2.gz PVJXGFDSBJSTRT-RHYQMDGZSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000353138425 171147586 /nfs/dbraw/zinc/14/75/86/171147586.db2.gz CNWZQPSSORXRQG-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000353130887 171147591 /nfs/dbraw/zinc/14/75/91/171147591.db2.gz PQHJILYQUMOLHM-BJDJZHNGSA-N 2 0 239.363 0.618 20 0 BCADRP C[N@H+](CC[C@H]1CCCCO1)C[C@H](O)C[NH3+] ZINC000662276552 412068720 /nfs/dbraw/zinc/06/87/20/412068720.db2.gz KJMMHEYNGOIEGI-GHMZBOCLSA-N 2 0 216.325 0.197 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000353136479 171148059 /nfs/dbraw/zinc/14/80/59/171148059.db2.gz XILVIBHZJBQNOY-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000353430957 171148074 /nfs/dbraw/zinc/14/80/74/171148074.db2.gz XPDIXLZHJOJJGL-SRVKXCTJSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000353130904 171148090 /nfs/dbraw/zinc/14/80/90/171148090.db2.gz PQHJILYQUMOLHM-RHYQMDGZSA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000353190505 171148495 /nfs/dbraw/zinc/14/84/95/171148495.db2.gz ODIMCHNIARBEDF-GMXVVIOVSA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000353462596 171148739 /nfs/dbraw/zinc/14/87/39/171148739.db2.gz SXOJGRFVPKBMAJ-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000353463682 171148804 /nfs/dbraw/zinc/14/88/04/171148804.db2.gz WIJGZIMQAHBHHQ-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000353423474 171149055 /nfs/dbraw/zinc/14/90/55/171149055.db2.gz DYBRMNKVLSRHAN-MXWKQRLJSA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+](C)C ZINC000353001287 171149253 /nfs/dbraw/zinc/14/92/53/171149253.db2.gz HMTUNIOFTYRHIJ-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@@H](C)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286462 412076546 /nfs/dbraw/zinc/07/65/46/412076546.db2.gz HWSHPWJJQBKAKH-SNVBAGLBSA-N 2 0 200.326 0.737 20 0 BCADRP CC[C@@]1(C(=O)N2CCC[N@H+](C)CC2)CCC[NH2+]1 ZINC000128743048 171194112 /nfs/dbraw/zinc/19/41/12/171194112.db2.gz IYALYRZKTHYQJM-ZDUSSCGKSA-N 2 0 239.363 0.683 20 0 BCADRP C[C@@H](O)C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662285168 412077072 /nfs/dbraw/zinc/07/70/72/412077072.db2.gz YMWBPXUKUIJUJC-PWSUYJOCSA-N 2 0 240.347 0.353 20 0 BCADRP CC[C@@]1(C(=O)N2CCC([NH3+])CC2)CCC[NH2+]1 ZINC000134364684 171195071 /nfs/dbraw/zinc/19/50/71/171195071.db2.gz KNUFPZQBMZFMSN-LBPRGKRZSA-N 2 0 225.336 0.468 20 0 BCADRP CC[C@@]1(C(=O)NCCC[NH+](C)C)CCC[NH2+]1 ZINC000128723736 171195883 /nfs/dbraw/zinc/19/58/83/171195883.db2.gz VZWMLPPANHOQNI-LBPRGKRZSA-N 2 0 227.352 0.587 20 0 BCADRP CC[C@@]1(C(=O)NCC[N@H+](C)C2CC2)CC[NH2+]C1 ZINC000062910531 171196283 /nfs/dbraw/zinc/19/62/83/171196283.db2.gz TYCLTIIXCJJULK-CYBMUJFWSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@@]1(C(=O)NCC[C@H](C)[NH3+])CC[NH2+]C1 ZINC000309518932 171196356 /nfs/dbraw/zinc/19/63/56/171196356.db2.gz ZNQIGIUUXRHKNG-GXSJLCMTSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@@]1(C(=O)N[C@@H](C[NH3+])C2CC2)CC[NH2+]C1 ZINC000368567509 171196375 /nfs/dbraw/zinc/19/63/75/171196375.db2.gz VOIXQWZEWCXZQJ-CMPLNLGQSA-N 2 0 225.336 0.230 20 0 BCADRP Cc1nocc1CN1CCCO[C@H](C[NH3+])C1 ZINC000662281857 412072267 /nfs/dbraw/zinc/07/22/67/412072267.db2.gz QHQNMTJPOSRZKW-LLVKDONJSA-N 2 0 225.292 0.533 20 0 BCADRP CC[C@H](C(=O)NCCCC[NH3+])[NH+](CC)CC ZINC000357794119 171228151 /nfs/dbraw/zinc/22/81/51/171228151.db2.gz NTRSKXLOYASYTI-LLVKDONJSA-N 2 0 229.368 0.962 20 0 BCADRP CC[C@H](C(=O)NCCC[NH+](C)C)[NH+](C)C ZINC000359252735 171228585 /nfs/dbraw/zinc/22/85/85/171228585.db2.gz QULTVJCYTMHKBU-SNVBAGLBSA-N 2 0 215.341 0.395 20 0 BCADRP CC[C@H](C(=O)NCC[NH+]1CCCC1)[NH+](C)C ZINC000359416602 171228687 /nfs/dbraw/zinc/22/86/87/171228687.db2.gz HMQLDHJLGKCBBT-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP CCc1nocc1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000662282070 412073803 /nfs/dbraw/zinc/07/38/03/412073803.db2.gz CQNQIUUIIFICHC-UHFFFAOYSA-N 2 0 239.319 0.523 20 0 BCADRP COC[C@H](C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C)OC ZINC000662283076 412075601 /nfs/dbraw/zinc/07/56/01/412075601.db2.gz KJJLTYBDXCKJIM-CYDGBPFRSA-N 2 0 244.379 0.953 20 0 BCADRP C(C[N@@H+]1CCC[C@@H]2OCC[C@@H]21)N1CC[NH2+]CC1 ZINC000662298615 412085786 /nfs/dbraw/zinc/08/57/86/412085786.db2.gz PTGYCODRXOBKLS-STQMWFEESA-N 2 0 239.363 0.145 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188754097 171305904 /nfs/dbraw/zinc/30/59/04/171305904.db2.gz GZUBLECFILPVRT-GARJFASQSA-N 2 0 245.342 0.533 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C1([NH3+])CC1 ZINC000226396246 171306925 /nfs/dbraw/zinc/30/69/25/171306925.db2.gz GMLZXMGMJFTHHM-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP CN(Cc1nc(C(C)(C)[NH3+])no1)CC(C)(C)[NH3+] ZINC000662296592 412085311 /nfs/dbraw/zinc/08/53/11/412085311.db2.gz SOLLEUPSYUXXKK-UHFFFAOYSA-N 2 0 241.339 0.433 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000051694829 171370108 /nfs/dbraw/zinc/37/01/08/171370108.db2.gz GEVYUZODZZZQRQ-IDWGSYCQSA-N 2 0 227.352 0.746 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365227469 171394202 /nfs/dbraw/zinc/39/42/02/171394202.db2.gz RTSHAIMCLOICPU-QCNOEVLYSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000237036718 171394973 /nfs/dbraw/zinc/39/49/73/171394973.db2.gz FMZPHROJMMDADC-DLOVCJGASA-N 2 0 241.379 0.816 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000309798642 171395116 /nfs/dbraw/zinc/39/51/16/171395116.db2.gz QTBBJVDEXQJTRT-AEJSXWLSSA-N 2 0 215.341 0.459 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)[NH2+]C ZINC000308979023 171395583 /nfs/dbraw/zinc/39/55/83/171395583.db2.gz HLHFHEWQAKHUHE-YIZRAAEISA-N 2 0 201.314 0.084 20 0 BCADRP [NH3+]C1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662388879 412139604 /nfs/dbraw/zinc/13/96/04/412139604.db2.gz SVDMBYDNONBTCT-UHFFFAOYSA-N 2 0 237.347 0.598 20 0 BCADRP C[C@@H](CO)[C@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000662300785 412086355 /nfs/dbraw/zinc/08/63/55/412086355.db2.gz JOGMMXWECHYYKH-NWDGAFQWSA-N 2 0 230.352 0.445 20 0 BCADRP C[C@@H]1CCC[N@H+](CCOCC[NH3+])[C@H]1CCO ZINC000662302928 412088878 /nfs/dbraw/zinc/08/88/78/412088878.db2.gz QMLUUTBUZRWVHJ-NEPJUHHUSA-N 2 0 230.352 0.445 20 0 BCADRP [NH3+]CC12CC(C1)C[N@@H+]2CC1CC[NH2+]CC1 ZINC000662304380 412089242 /nfs/dbraw/zinc/08/92/42/412089242.db2.gz PZDZERMMFLWVRH-UHFFFAOYSA-N 3 0 209.337 0.409 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000662316195 412095962 /nfs/dbraw/zinc/09/59/62/412095962.db2.gz WMBREFXLGWWWOI-LBPRGKRZSA-N 2 0 228.336 0.464 20 0 BCADRP C[NH+](C)C1(C(=O)NCCCn2ccnc2)CC1 ZINC000665105825 412096701 /nfs/dbraw/zinc/09/67/01/412096701.db2.gz FGPQFJDVHYFVGK-UHFFFAOYSA-N 2 0 236.319 0.484 20 0 BCADRP C[C@@H](O)CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322946 412100304 /nfs/dbraw/zinc/10/03/04/412100304.db2.gz JWOJEBBNQJSAPO-OLZOCXBDSA-N 2 0 244.379 0.800 20 0 BCADRP C[C@H](O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321706 412101078 /nfs/dbraw/zinc/10/10/78/412101078.db2.gz CRJOGDMASSNAPS-NWDGAFQWSA-N 2 0 230.352 0.410 20 0 BCADRP CC[C@H](O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324590 412102418 /nfs/dbraw/zinc/10/24/18/412102418.db2.gz YXIWHADUBTWBEW-QWHCGFSZSA-N 2 0 244.379 0.800 20 0 BCADRP C[NH+](C)CCC[C@H]1CN(CCC[NH3+])CCO1 ZINC000662327644 412105068 /nfs/dbraw/zinc/10/50/68/412105068.db2.gz SFJSAKLXQOFUAJ-LBPRGKRZSA-N 2 0 229.368 0.378 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000662356171 412121505 /nfs/dbraw/zinc/12/15/05/412121505.db2.gz IZFIOADICGLBLH-LBPRGKRZSA-N 2 0 241.379 0.973 20 0 BCADRP CC[C@H](O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000218785297 412131431 /nfs/dbraw/zinc/13/14/31/412131431.db2.gz OYFSXHFVBWGJNL-NWDGAFQWSA-N 2 0 230.352 0.194 20 0 BCADRP CC[C@H](O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000218785460 412132107 /nfs/dbraw/zinc/13/21/07/412132107.db2.gz OYFSXHFVBWGJNL-RYUDHWBXSA-N 2 0 230.352 0.194 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH2+]C(C)C ZINC000662454553 412181262 /nfs/dbraw/zinc/18/12/62/412181262.db2.gz NVSLEFPSHFBQIU-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000370768068 171477213 /nfs/dbraw/zinc/47/72/13/171477213.db2.gz XSYMVEFIXRWUAJ-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H](CC)[NH2+]C ZINC000662462838 412182847 /nfs/dbraw/zinc/18/28/47/412182847.db2.gz OQNYNANNSDETFF-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000037042468 171478569 /nfs/dbraw/zinc/47/85/69/171478569.db2.gz UZINYWHCWLNPBK-NSHDSACASA-N 2 0 225.336 0.467 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000662553658 412214708 /nfs/dbraw/zinc/21/47/08/412214708.db2.gz JUTSQUMAIZQGCA-KXUCPTDWSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1CC[NH2+]C1 ZINC000665243408 412186613 /nfs/dbraw/zinc/18/66/13/412186613.db2.gz DABCFPYVAVJJSH-JBLDHEPKSA-N 2 0 209.337 0.421 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000662472192 412187660 /nfs/dbraw/zinc/18/76/60/412187660.db2.gz PNYAEUDQBFCNNH-WOPDTQHZSA-N 2 0 241.379 0.926 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000662472191 412188056 /nfs/dbraw/zinc/18/80/56/412188056.db2.gz PNYAEUDQBFCNNH-UTUOFQBUSA-N 2 0 241.379 0.926 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000662474331 412188398 /nfs/dbraw/zinc/18/83/98/412188398.db2.gz ZAILDWFIQHJNQY-VWYCJHECSA-N 2 0 227.352 0.535 20 0 BCADRP CO[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000665245333 412189276 /nfs/dbraw/zinc/18/92/76/412189276.db2.gz FSXANZXUBQVJPR-LMLFDSFASA-N 2 0 216.325 0.363 20 0 BCADRP CO[C@@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000665244760 412189350 /nfs/dbraw/zinc/18/93/50/412189350.db2.gz VRHPJVWSOSQCPG-WHOHXGKFSA-N 2 0 212.337 0.999 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000662486459 412190985 /nfs/dbraw/zinc/19/09/85/412190985.db2.gz WKVCSTKFARXVJW-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000662486913 412191133 /nfs/dbraw/zinc/19/11/33/412191133.db2.gz YEJUGKXCNLILLO-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](C)CC[NH3+] ZINC000662553292 412214952 /nfs/dbraw/zinc/21/49/52/412214952.db2.gz WRRXDLJXEBHDRN-QWRGUYRKSA-N 2 0 229.368 0.851 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CC1([NH3+])CCCC1 ZINC000665247249 412193685 /nfs/dbraw/zinc/19/36/85/412193685.db2.gz YLSCKTPUZYNDJY-NSHDSACASA-N 3 0 229.368 0.601 20 0 BCADRP CCC[N@@H+]1CC[C@H](N[C@@H](C)C2C[NH2+]C2)C1 ZINC000665274092 412215946 /nfs/dbraw/zinc/21/59/46/412215946.db2.gz JLPWNPAWDHDUST-JQWIXIFHSA-N 2 0 211.353 0.668 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000662514206 412201956 /nfs/dbraw/zinc/20/19/56/412201956.db2.gz LJXDCVRYHFEJIE-GUBZILKMSA-N 2 0 213.325 0.193 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662519587 412202560 /nfs/dbraw/zinc/20/25/60/412202560.db2.gz XATLMCXARRHMER-WCQYABFASA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662519623 412202839 /nfs/dbraw/zinc/20/28/39/412202839.db2.gz SWMZYVMUIGPZAD-GHMZBOCLSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(CC)CCC[NH+](C)C ZINC000662534813 412208435 /nfs/dbraw/zinc/20/84/35/412208435.db2.gz KJPSWGDSYJECEO-NSHDSACASA-N 2 0 229.368 0.785 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000662540391 412209860 /nfs/dbraw/zinc/20/98/60/412209860.db2.gz WBFCWKRCTLOPQU-GHMZBOCLSA-N 2 0 239.363 0.726 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000662544112 412210435 /nfs/dbraw/zinc/21/04/35/412210435.db2.gz YGOWABGDBDEDQN-LLVKDONJSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662550668 412212143 /nfs/dbraw/zinc/21/21/43/412212143.db2.gz FHLFQUJLUCHNTB-SECBINFHSA-N 2 0 233.315 0.757 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662549114 412212619 /nfs/dbraw/zinc/21/26/19/412212619.db2.gz KWACLBOGTBGCEE-MMWGEVLESA-N 2 0 225.336 0.310 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)C[NH2+]C(C)C)C1 ZINC000662392134 412143751 /nfs/dbraw/zinc/14/37/51/412143751.db2.gz OLLZLPDVCUOHIU-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP O=C1CC[C@@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)N1 ZINC000665272954 412213400 /nfs/dbraw/zinc/21/34/00/412213400.db2.gz NVRVMNIEUKZGSD-YFKTTZPYSA-N 2 0 237.347 0.243 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662394991 412144367 /nfs/dbraw/zinc/14/43/67/412144367.db2.gz ALRBDPHJLBVQAB-VHSXEESVSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000662393975 412144649 /nfs/dbraw/zinc/14/46/49/412144649.db2.gz ZGZDBISOMQOYIR-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)c1cccc2c1C[NH2+]C2 ZINC000662395856 412145726 /nfs/dbraw/zinc/14/57/26/412145726.db2.gz QIEKHOQEGJOHGB-NSHDSACASA-N 2 0 245.326 0.772 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000662396329 412145837 /nfs/dbraw/zinc/14/58/37/412145837.db2.gz USAYEYRLPJYHRX-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000662398895 412147203 /nfs/dbraw/zinc/14/72/03/412147203.db2.gz KSEIFDVNAUBBKL-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000662398429 412147296 /nfs/dbraw/zinc/14/72/96/412147296.db2.gz RVFKLANAFHPZLP-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000662403735 412150471 /nfs/dbraw/zinc/15/04/71/412150471.db2.gz OMAKKTXQUTYUDO-MXWKQRLJSA-N 2 0 227.352 0.489 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000662402786 412150750 /nfs/dbraw/zinc/15/07/50/412150750.db2.gz NOFCJAWJBCGMFC-UWVGGRQHSA-N 2 0 213.325 0.243 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000662406401 412151710 /nfs/dbraw/zinc/15/17/10/412151710.db2.gz YHFOQVFSIVUMSC-ZJUUUORDSA-N 2 0 213.325 0.100 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000662411948 412155829 /nfs/dbraw/zinc/15/58/29/412155829.db2.gz BZWSVWYRDNDLOD-SNVBAGLBSA-N 2 0 213.325 0.100 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000662411947 412155872 /nfs/dbraw/zinc/15/58/72/412155872.db2.gz BZWSVWYRDNDLOD-JTQLQIEISA-N 2 0 213.325 0.100 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662414290 412156503 /nfs/dbraw/zinc/15/65/03/412156503.db2.gz PTNLGTGUQGTOMG-GHMZBOCLSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000662415626 412156974 /nfs/dbraw/zinc/15/69/74/412156974.db2.gz IJIQFDKEDFJMCH-GUBZILKMSA-N 2 0 213.325 0.193 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000662414218 412157551 /nfs/dbraw/zinc/15/75/51/412157551.db2.gz WRTFZVFPBNBYGI-NEPJUHHUSA-N 2 0 235.331 0.801 20 0 BCADRP C[C@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000662416010 412158050 /nfs/dbraw/zinc/15/80/50/412158050.db2.gz PWDRZSPQBSUFNH-GARJFASQSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC(CC)(CC)C[NH3+] ZINC000662416299 412158449 /nfs/dbraw/zinc/15/84/49/412158449.db2.gz AJTUJTYFFSFAKP-SECBINFHSA-N 2 0 215.341 0.618 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000662417138 412158455 /nfs/dbraw/zinc/15/84/55/412158455.db2.gz NCSBPQSNPNTXLG-KOLCDFICSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000662417192 412158714 /nfs/dbraw/zinc/15/87/14/412158714.db2.gz FJEPCEBLNGONKK-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[C@H]1[NH3+] ZINC000662418127 412160646 /nfs/dbraw/zinc/16/06/46/412160646.db2.gz PKIDOFOZMSNZFF-DBIOUOCHSA-N 2 0 225.336 0.310 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000662418862 412160697 /nfs/dbraw/zinc/16/06/97/412160697.db2.gz XPQLXIWRPZAXMN-NXEZZACHSA-N 2 0 215.341 0.474 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000662551273 412213899 /nfs/dbraw/zinc/21/38/99/412213899.db2.gz BHTZICAPCWGQJZ-QCNOEVLYSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000662420831 412161091 /nfs/dbraw/zinc/16/10/91/412161091.db2.gz JVSVJQUEXUSWRJ-JQWIXIFHSA-N 2 0 241.379 0.851 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]([NH3+])C(C)C ZINC000662421619 412161139 /nfs/dbraw/zinc/16/11/39/412161139.db2.gz FFAFYUUVLMKMAF-IUCAKERBSA-N 2 0 201.314 0.084 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000662421531 412161909 /nfs/dbraw/zinc/16/19/09/412161909.db2.gz FGTMOLGAUNKKHC-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000662422562 412163082 /nfs/dbraw/zinc/16/30/82/412163082.db2.gz JVKYXWJKYQKTJC-IJLUTSLNSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662424240 412164172 /nfs/dbraw/zinc/16/41/72/412164172.db2.gz RUCKKRHWMBCDFS-UTLUCORTSA-N 2 0 213.325 0.213 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000662428309 412166900 /nfs/dbraw/zinc/16/69/00/412166900.db2.gz YAHDNZGCFUWKTH-SECBINFHSA-N 2 0 215.341 0.428 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000665272575 412214259 /nfs/dbraw/zinc/21/42/59/412214259.db2.gz HSHRPIRMVKWEPU-DCAQKATOSA-N 2 0 225.336 0.243 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC1([NH3+])CCCC1 ZINC000662647749 412254614 /nfs/dbraw/zinc/25/46/14/412254614.db2.gz CSYODHAXYJEBEF-JTQLQIEISA-N 2 0 227.352 0.762 20 0 BCADRP [NH3+]C1(C(=O)NCC2([NH3+])CCCC2)CCC1 ZINC000662649442 412255449 /nfs/dbraw/zinc/25/54/49/412255449.db2.gz PPGRLMQVSLUALQ-UHFFFAOYSA-N 2 0 211.309 0.256 20 0 BCADRP [NH3+]C1(CNC(=O)CC[C@@H]2CC[NH2+]C2)CCCC1 ZINC000662650108 412256398 /nfs/dbraw/zinc/25/63/98/412256398.db2.gz UZXWHIVFHZPUSA-LLVKDONJSA-N 2 0 239.363 0.764 20 0 BCADRP [NH3+]C1(CNC(=O)C[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000662648394 412256575 /nfs/dbraw/zinc/25/65/75/412256575.db2.gz VPOPERKHUAALRL-NSHDSACASA-N 2 0 239.363 0.764 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCCC[NH+](CC)CC ZINC000662658925 412259507 /nfs/dbraw/zinc/25/95/07/412259507.db2.gz MPVWFJXKUOAZHK-NSHDSACASA-N 2 0 229.368 0.833 20 0 BCADRP CCCN(C(=O)CC1([NH3+])CC1)C1CC[NH2+]CC1 ZINC000662657360 412260385 /nfs/dbraw/zinc/26/03/85/412260385.db2.gz LMOIBGFMFZKBIU-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP CC1CC[NH+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662679564 412268351 /nfs/dbraw/zinc/26/83/51/412268351.db2.gz ADMJVZLVKWDDEM-HAQNSBGRSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)CC[C@H]1CC[NH2+]C1 ZINC000662680959 412268516 /nfs/dbraw/zinc/26/85/16/412268516.db2.gz PRHLULBXYFWOQZ-ZBOXLXRLSA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000662681311 412269214 /nfs/dbraw/zinc/26/92/14/412269214.db2.gz YQRMAJGIEBFNDP-ZUXSNHBTSA-N 2 0 237.347 0.454 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000662682639 412269352 /nfs/dbraw/zinc/26/93/52/412269352.db2.gz MTNCCIGQTVGARD-IQLKVPPVSA-N 2 0 249.358 0.326 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662684649 412271079 /nfs/dbraw/zinc/27/10/79/412271079.db2.gz YMMWNXOLUVTFNH-XDEUPMGRSA-N 2 0 249.358 0.467 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000662688303 412272112 /nfs/dbraw/zinc/27/21/12/412272112.db2.gz OAGYRNSJVNFPFO-SDDRHHMPSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662693088 412273584 /nfs/dbraw/zinc/27/35/84/412273584.db2.gz ONHCINOXUSGXGS-IJLUTSLNSA-N 2 0 239.363 0.570 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](CCC)C1 ZINC000662702632 412275479 /nfs/dbraw/zinc/27/54/79/412275479.db2.gz AQJFQWVIHLSBHU-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000662699101 412275671 /nfs/dbraw/zinc/27/56/71/412275671.db2.gz WHHQJVTYLNHHFS-WOPDTQHZSA-N 2 0 239.363 0.572 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662704026 412276476 /nfs/dbraw/zinc/27/64/76/412276476.db2.gz RYARRDAZJMHPPR-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH2+]C)C1 ZINC000662704214 412276984 /nfs/dbraw/zinc/27/69/84/412276984.db2.gz WRMDXHLUVHFRIH-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662709284 412278538 /nfs/dbraw/zinc/27/85/38/412278538.db2.gz ALMKUIVXDYHKEO-NSHDSACASA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662730498 412279646 /nfs/dbraw/zinc/27/96/46/412279646.db2.gz HDJYYNCJJKJVNH-NXEZZACHSA-N 2 0 215.341 0.332 20 0 BCADRP CC(C)[C@H](C(=O)NCC12CC(C1)C[NH2+]2)[C@@H](C)[NH3+] ZINC000662718873 412282028 /nfs/dbraw/zinc/28/20/28/412282028.db2.gz RRUOGGBTYHMRRI-JJOYANBFSA-N 2 0 239.363 0.474 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662723730 412284010 /nfs/dbraw/zinc/28/40/10/412284010.db2.gz IWSXZZYGZSTWTH-HUXNSBQSSA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C1CC[NH2+]CC1 ZINC000662723170 412284198 /nfs/dbraw/zinc/28/41/98/412284198.db2.gz FWWFHOKOOCXYGD-LLVKDONJSA-N 2 0 227.352 0.476 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662758619 412284657 /nfs/dbraw/zinc/28/46/57/412284657.db2.gz VBTYTDRJBZSWFO-MGCOHNPYSA-N 2 0 225.336 0.276 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C[NH2+]CC1CC1 ZINC000662730301 412285399 /nfs/dbraw/zinc/28/53/99/412285399.db2.gz BRPOPFRSGJTQMA-LLVKDONJSA-N 2 0 227.352 0.476 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662730053 412285627 /nfs/dbraw/zinc/28/56/27/412285627.db2.gz ZRESGGCKQXPLAM-RKDXNWHRSA-N 2 0 201.314 0.213 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000662730660 412286882 /nfs/dbraw/zinc/28/68/82/412286882.db2.gz LMWNYJMNSZDJKY-GHMZBOCLSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000662731109 412286967 /nfs/dbraw/zinc/28/69/67/412286967.db2.gz YNSJQZBVEHBFGM-NXEZZACHSA-N 2 0 227.352 0.474 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000662555683 412216189 /nfs/dbraw/zinc/21/61/89/412216189.db2.gz ZJSUUGYALYHKSL-UWVGGRQHSA-N 2 0 213.325 0.243 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000662555682 412216388 /nfs/dbraw/zinc/21/63/88/412216388.db2.gz ZJSUUGYALYHKSL-NXEZZACHSA-N 2 0 213.325 0.243 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC(C)([NH3+])CC1 ZINC000662556696 412216530 /nfs/dbraw/zinc/21/65/30/412216530.db2.gz WANGKLVEDJTWKB-UHFFFAOYSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000662557890 412216537 /nfs/dbraw/zinc/21/65/37/412216537.db2.gz PHBGWOBKLALAOM-ZJUUUORDSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662558468 412217991 /nfs/dbraw/zinc/21/79/91/412217991.db2.gz FZDJQBIMSUPGLP-BXKDBHETSA-N 2 0 233.315 0.684 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000662560041 412218702 /nfs/dbraw/zinc/21/87/02/412218702.db2.gz CVRSHWRBYLMHQI-NXEZZACHSA-N 2 0 213.325 0.241 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000662560571 412219308 /nfs/dbraw/zinc/21/93/08/412219308.db2.gz JINCFAVBVSUAQD-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277950 412220315 /nfs/dbraw/zinc/22/03/15/412220315.db2.gz QGXBRQKYLRCHPI-MLWDRFBSSA-N 2 0 235.375 0.811 20 0 BCADRP C[C@@H]1C[C@@H](NCC23CC(C2)C[NH2+]3)CC[N@@H+]1C ZINC000665277761 412220785 /nfs/dbraw/zinc/22/07/85/412220785.db2.gz KVEANKJZDYRMEA-IGJPJIBNSA-N 2 0 223.364 0.811 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000662565719 412221295 /nfs/dbraw/zinc/22/12/95/412221295.db2.gz GVYBLUOLVBDNRT-RNFRBKRXSA-N 2 0 223.267 0.083 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000662567346 412222895 /nfs/dbraw/zinc/22/28/95/412222895.db2.gz UWSQIKPMUSLAGP-ZETCQYMHSA-N 2 0 223.267 0.083 20 0 BCADRP C(NC1CC[NH+](C2CC2)CC1)C12CC(C1)C[NH2+]2 ZINC000665279491 412223011 /nfs/dbraw/zinc/22/30/11/412223011.db2.gz DQGVRTSLKHFADE-UHFFFAOYSA-N 2 0 235.375 0.955 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279638 412223616 /nfs/dbraw/zinc/22/36/16/412223616.db2.gz ICNDLMYRDBJAPY-VOMCLLRMSA-N 3 0 211.353 0.846 20 0 BCADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000665280627 412224139 /nfs/dbraw/zinc/22/41/39/412224139.db2.gz HWHAXPVODVAHSA-GHMZBOCLSA-N 2 0 248.392 0.527 20 0 BCADRP [NH3+][C@H]1CCCCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665279958 412224854 /nfs/dbraw/zinc/22/48/54/412224854.db2.gz QFDSAIZZPJHHBU-CMOBGSAGSA-N 2 0 223.364 0.988 20 0 BCADRP C[C@@H](NCC12CC(C1)C[NH2+]2)[C@H]1CCCC[NH2+]1 ZINC000665280365 412224906 /nfs/dbraw/zinc/22/49/06/412224906.db2.gz ZROZVSAEFMGUDN-CQLXCSJHSA-N 2 0 223.364 0.859 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665280224 412224957 /nfs/dbraw/zinc/22/49/57/412224957.db2.gz WEUURQTWAJCFHU-ZFQMDJOTSA-N 2 0 223.364 0.846 20 0 BCADRP CN(CC[NH3+])C(=O)c1cccc2c1C[NH2+]C2 ZINC000662573482 412225043 /nfs/dbraw/zinc/22/50/43/412225043.db2.gz FTBNHUCVCSROPI-UHFFFAOYSA-N 2 0 219.288 0.321 20 0 BCADRP C[C@H](NCC12CC(C1)C[NH2+]2)[C@H]1CCCC[NH2+]1 ZINC000665280366 412225089 /nfs/dbraw/zinc/22/50/89/412225089.db2.gz ZROZVSAEFMGUDN-GMKTYKIGSA-N 2 0 223.364 0.859 20 0 BCADRP CN(CC[NH3+])C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662574613 412225814 /nfs/dbraw/zinc/22/58/14/412225814.db2.gz LHHBLFRVBGCVBE-GFCCVEGCSA-N 2 0 233.315 0.638 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@H]1C[NH3+] ZINC000662574541 412225861 /nfs/dbraw/zinc/22/58/61/412225861.db2.gz ORTLJNBCDXDLAW-KKOKHZNYSA-N 2 0 239.363 0.557 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000662574783 412226659 /nfs/dbraw/zinc/22/66/59/412226659.db2.gz PPEUGASKOQGVTH-AXFHLTTASA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000662579269 412227803 /nfs/dbraw/zinc/22/78/03/412227803.db2.gz PDZAKIXVENTZCH-UHFFFAOYSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)Cc1c[nH]cn1 ZINC000662584478 412228623 /nfs/dbraw/zinc/22/86/23/412228623.db2.gz BDYXSQFUZVEXNF-MRVPVSSYSA-N 2 0 210.281 0.224 20 0 BCADRP C[NH2+]CC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662592125 412233739 /nfs/dbraw/zinc/23/37/39/412233739.db2.gz WRNBVMYULJLKOG-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662595992 412233912 /nfs/dbraw/zinc/23/39/12/412233912.db2.gz XXULLIVUBYQCQC-GFCCVEGCSA-N 2 0 239.363 0.573 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000662603610 412236146 /nfs/dbraw/zinc/23/61/46/412236146.db2.gz YBTLTTUKFPZYPX-MFKMUULPSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662604164 412236739 /nfs/dbraw/zinc/23/67/39/412236739.db2.gz CQAMJQJMJCEDQI-BDAKNGLRSA-N 2 0 213.325 0.180 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000662603607 412236821 /nfs/dbraw/zinc/23/68/21/412236821.db2.gz YBTLTTUKFPZYPX-GWCFXTLKSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1CCC[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291034 412237213 /nfs/dbraw/zinc/23/72/13/412237213.db2.gz RWNQTQXKNUWARC-WCBMZHEXSA-N 2 0 236.319 0.919 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)CCCC[NH3+] ZINC000662605889 412237435 /nfs/dbraw/zinc/23/74/35/412237435.db2.gz SZUMQFXNIVRPLC-UHFFFAOYSA-N 2 0 201.314 0.311 20 0 BCADRP C[C@@H]1CC[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000665291073 412237560 /nfs/dbraw/zinc/23/75/60/412237560.db2.gz TVDDDNWDSQDBID-RKDXNWHRSA-N 2 0 236.319 0.919 20 0 BCADRP CC[C@H](COC)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292079 412238042 /nfs/dbraw/zinc/23/80/42/412238042.db2.gz SDESJQJBAQLTQV-MRVPVSSYSA-N 2 0 240.307 0.156 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)[C@@H]1C ZINC000665293043 412238047 /nfs/dbraw/zinc/23/80/47/412238047.db2.gz PSAFGCDKHNKUDJ-NQMVMOMDSA-N 2 0 236.319 0.775 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621848 412244545 /nfs/dbraw/zinc/24/45/45/412244545.db2.gz XMIUPZRYNLVASF-QWRGUYRKSA-N 2 0 241.379 0.973 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662619286 412244588 /nfs/dbraw/zinc/24/45/88/412244588.db2.gz JSFKSIVVIFKWBC-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662622314 412244768 /nfs/dbraw/zinc/24/47/68/412244768.db2.gz QKPUPFQIKBHSKI-VHSXEESVSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662619705 412244781 /nfs/dbraw/zinc/24/47/81/412244781.db2.gz NTZPUKMUPLZWRQ-GARJFASQSA-N 2 0 241.379 0.959 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621817 412245084 /nfs/dbraw/zinc/24/50/84/412245084.db2.gz LVLJUBNWAHXFCN-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]C[C@H](C)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000665296668 412245207 /nfs/dbraw/zinc/24/52/07/412245207.db2.gz WCJGXVKCNCGIJQ-HBNTYKKESA-N 2 0 211.353 0.809 20 0 BCADRP FCCOCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000665298924 412245913 /nfs/dbraw/zinc/24/59/13/412245913.db2.gz CHNBSGYRTYOIEC-SDDRHHMPSA-N 2 0 230.327 0.950 20 0 BCADRP FCCOCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000665298923 412246179 /nfs/dbraw/zinc/24/61/79/412246179.db2.gz CHNBSGYRTYOIEC-QJPTWQEYSA-N 2 0 230.327 0.950 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCOCCF ZINC000665299600 412247417 /nfs/dbraw/zinc/24/74/17/412247417.db2.gz PZJKJMAWXNLGGT-GHMZBOCLSA-N 2 0 218.316 0.950 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOCCF ZINC000665299602 412247542 /nfs/dbraw/zinc/24/75/42/412247542.db2.gz PZJKJMAWXNLGGT-QWRGUYRKSA-N 2 0 218.316 0.950 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000665299623 412248601 /nfs/dbraw/zinc/24/86/01/412248601.db2.gz QKSPUGZVKNLCDW-NXEZZACHSA-N 2 0 236.381 0.527 20 0 BCADRP C[C@@H](CCNC(=O)CCCC[NH3+])[NH+](C)C ZINC000662632757 412250164 /nfs/dbraw/zinc/25/01/64/412250164.db2.gz GYVRXNKHSSDDKR-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)[C@H]2C1 ZINC000662806619 412307361 /nfs/dbraw/zinc/30/73/61/412307361.db2.gz SJMYKKQYBBYCML-BJDJZHNGSA-N 2 0 237.347 0.276 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662811708 412307427 /nfs/dbraw/zinc/30/74/27/412307427.db2.gz ATJJFZPWVJNSFM-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000662818923 412309781 /nfs/dbraw/zinc/30/97/81/412309781.db2.gz FWVKNDKPQOTNGN-KXUCPTDWSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662822140 412312034 /nfs/dbraw/zinc/31/20/34/412312034.db2.gz OHTPGYVRWKEYPZ-AEJSXWLSSA-N 2 0 227.352 0.617 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000662824769 412312700 /nfs/dbraw/zinc/31/27/00/412312700.db2.gz OSFWBXIUHQUCKO-GHMZBOCLSA-N 2 0 239.363 0.775 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000662824780 412312783 /nfs/dbraw/zinc/31/27/83/412312783.db2.gz OSFWBXIUHQUCKO-WDEREUQCSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662825064 412313001 /nfs/dbraw/zinc/31/30/01/412313001.db2.gz YKKUMTWSARVIDV-VHSXEESVSA-N 2 0 239.363 0.890 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000662830859 412313603 /nfs/dbraw/zinc/31/36/03/412313603.db2.gz WVCJIXLQKQKJRT-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662835150 412314851 /nfs/dbraw/zinc/31/48/51/412314851.db2.gz ZHGUPCOHGZLPCE-DOLQZWNJSA-N 2 0 211.309 0.062 20 0 BCADRP [NH3+]C1(CC(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000662833475 412315327 /nfs/dbraw/zinc/31/53/27/412315327.db2.gz ODLDGXMWMCVXFR-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662835151 412315620 /nfs/dbraw/zinc/31/56/20/412315620.db2.gz ZHGUPCOHGZLPCE-QEYWKRMJSA-N 2 0 211.309 0.062 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1CCC[NH2+]CC1 ZINC000662844480 412319717 /nfs/dbraw/zinc/31/97/17/412319717.db2.gz APWZNYRIBAWWDJ-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662857443 412326906 /nfs/dbraw/zinc/32/69/06/412326906.db2.gz AWLRUFBIOJGVHU-MXWKQRLJSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@H](CCNC(=O)[C@H]1C[C@H]([NH3+])C1)[NH+](C)C ZINC000662858243 412327045 /nfs/dbraw/zinc/32/70/45/412327045.db2.gz FOKIVGBTEJPIMZ-OPRDCNLKSA-N 2 0 213.325 0.180 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000662861050 412327708 /nfs/dbraw/zinc/32/77/08/412327708.db2.gz VIVQDQFKJQIKRK-KXNHARMFSA-N 2 0 237.347 0.385 20 0 BCADRP C[C@H](CCNC(=O)[C@H]1[NH2+]CCC1(C)C)[NH+](C)C ZINC000662860181 412327893 /nfs/dbraw/zinc/32/78/93/412327893.db2.gz RENWZXPHHKBZCU-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H]2CCCC[NH2+]2)CCCC1 ZINC000662864958 412329697 /nfs/dbraw/zinc/32/96/97/412329697.db2.gz IYXKUWRNNWOJKC-SNVBAGLBSA-N 2 0 225.336 0.516 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)NCC2([NH3+])CCCC2)C1 ZINC000662864246 412329883 /nfs/dbraw/zinc/32/98/83/412329883.db2.gz MTMFFZPJHZEENB-KYZUINATSA-N 2 0 211.309 0.111 20 0 BCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C1([NH3+])CC1 ZINC000662886121 412336041 /nfs/dbraw/zinc/33/60/41/412336041.db2.gz BHAUCKUNXADKPC-NSHDSACASA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132889045 412343652 /nfs/dbraw/zinc/34/36/52/412343652.db2.gz LFCLZMVLVCROBQ-HBNTYKKESA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+]C1(C(=O)NCC23CC(C2)C[NH2+]3)CC2(CCC2)C1 ZINC000662922438 412345865 /nfs/dbraw/zinc/34/58/65/412345865.db2.gz AIUQAIKSIICGMN-UHFFFAOYSA-N 2 0 249.358 0.516 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662926297 412346805 /nfs/dbraw/zinc/34/68/05/412346805.db2.gz QMEHNDRAWYNKIX-GHMZBOCLSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000662925890 412347250 /nfs/dbraw/zinc/34/72/50/412347250.db2.gz DPLPCQTXZFKICM-UTUOFQBUSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000662924022 412347287 /nfs/dbraw/zinc/34/72/87/412347287.db2.gz WVQPVSYFSSBWKB-URAGZPLESA-N 2 0 237.347 0.243 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000662944909 412350994 /nfs/dbraw/zinc/35/09/94/412350994.db2.gz ANPWGIZWFRQBHN-ZDCRXTMVSA-N 2 0 243.326 0.272 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000662945348 412351615 /nfs/dbraw/zinc/35/16/15/412351615.db2.gz OAIMVZUWBCGGDG-GWOFURMSSA-N 2 0 243.326 0.224 20 0 BCADRP [NH3+][C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)CC[C@H]1F ZINC000662943912 412351754 /nfs/dbraw/zinc/35/17/54/412351754.db2.gz DRXKLXLSENIFIW-OPRDCNLKSA-N 2 0 229.299 0.026 20 0 BCADRP CC[C@]1(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000332615112 171710669 /nfs/dbraw/zinc/71/06/69/171710669.db2.gz DZUAMZHRRBMIQQ-CKYFFXLPSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@]1(C(=O)NC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000362164332 171710835 /nfs/dbraw/zinc/71/08/35/171710835.db2.gz VGSWRGAZSIGDSF-LBPRGKRZSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)CCC(C)(C)[NH3+] ZINC000662954583 412353332 /nfs/dbraw/zinc/35/33/32/412353332.db2.gz WZJSBXVDTNWYNZ-QMMMGPOBSA-N 2 0 201.314 0.228 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000662953748 412353419 /nfs/dbraw/zinc/35/34/19/412353419.db2.gz PEWRMCSRZBIPMD-GRYCIOLGSA-N 2 0 241.379 0.736 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000662953700 412353692 /nfs/dbraw/zinc/35/36/92/412353692.db2.gz OOVZCZUDZWQKPE-ONGXEEELSA-N 2 0 221.304 0.411 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000662954528 412353926 /nfs/dbraw/zinc/35/39/26/412353926.db2.gz WBCGRROLJMMJOP-GHMZBOCLSA-N 2 0 241.379 0.736 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)C[NH2+]C ZINC000662965343 412357841 /nfs/dbraw/zinc/35/78/41/412357841.db2.gz PHDBOAFHPCYLKK-DTWKUNHWSA-N 2 0 201.314 0.099 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C ZINC000662966390 412358517 /nfs/dbraw/zinc/35/85/17/412358517.db2.gz RBBACCSFIYRPHI-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@]1(C(=O)N[C@@H](C)C[NH2+]C)CCC[NH2+]1 ZINC000662966691 412358831 /nfs/dbraw/zinc/35/88/31/412358831.db2.gz UQYDXBRDWRWBLH-GXSJLCMTSA-N 2 0 213.325 0.243 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C ZINC000662966391 412358937 /nfs/dbraw/zinc/35/89/37/412358937.db2.gz RBBACCSFIYRPHI-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[N@@H+]1C ZINC000132921363 412358951 /nfs/dbraw/zinc/35/89/51/412358951.db2.gz RZJIMMLDNPRCAC-KKOKHZNYSA-N 2 0 239.363 0.713 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000662746807 412289819 /nfs/dbraw/zinc/28/98/19/412289819.db2.gz RSCMTRZIJKAIEY-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662747321 412290349 /nfs/dbraw/zinc/29/03/49/412290349.db2.gz SLFISHXLNKSOGL-KYXWUPHJSA-N 2 0 231.315 0.258 20 0 BCADRP C[NH2+]CCNc1cc(C(C)C)[nH+]c(N(C)C)n1 ZINC000420161839 412290858 /nfs/dbraw/zinc/29/08/58/412290858.db2.gz WXFCPRBPDLSGMA-UHFFFAOYSA-N 2 0 237.351 1.297 20 0 BCADRP C[C@H]1C[C@H](NC(=O)CC2([NH3+])CC2)C[N@@H+]1C1CC1 ZINC000662755366 412291199 /nfs/dbraw/zinc/29/11/99/412291199.db2.gz YTIWZZIZBNEBRP-UWVGGRQHSA-N 2 0 237.347 0.609 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000662754483 412291728 /nfs/dbraw/zinc/29/17/28/412291728.db2.gz PCYMLEPBLIOMRM-DBIOUOCHSA-N 2 0 237.347 0.465 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCc1[nH]cnc1C ZINC000662753764 412291888 /nfs/dbraw/zinc/29/18/88/412291888.db2.gz WWRFUDSLBXZSKE-QMMMGPOBSA-N 2 0 210.281 0.332 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662754335 412291904 /nfs/dbraw/zinc/29/19/04/412291904.db2.gz LASWGRCEEFISKT-BFLSOPEQSA-N 2 0 237.347 0.323 20 0 BCADRP [NH3+]C1(CC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000662758993 412293029 /nfs/dbraw/zinc/29/30/29/412293029.db2.gz XEHKHVAIXLXWES-JTQLQIEISA-N 2 0 223.320 0.221 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662762028 412293454 /nfs/dbraw/zinc/29/34/54/412293454.db2.gz SKCMJDFWSZWIAE-VWYCJHECSA-N 2 0 239.363 0.570 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662763974 412294543 /nfs/dbraw/zinc/29/45/43/412294543.db2.gz GONFQZFYDFABBL-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000662764637 412294700 /nfs/dbraw/zinc/29/47/00/412294700.db2.gz LSPHNHUSNDMZAB-VIFPVBQESA-N 2 0 225.336 0.372 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)CC1([NH3+])CC1 ZINC000662764389 412294841 /nfs/dbraw/zinc/29/48/41/412294841.db2.gz JPRIJNBWJIWOSN-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP C[C@]1(CNC(=O)CC2([NH3+])CC2)CCC[NH2+]C1 ZINC000662766201 412295667 /nfs/dbraw/zinc/29/56/67/412295667.db2.gz ZRKGFQQOAKAVJN-NSHDSACASA-N 2 0 225.336 0.374 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000662767867 412295729 /nfs/dbraw/zinc/29/57/29/412295729.db2.gz YACUEPFWGKEOGI-NSHDSACASA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662767674 412296277 /nfs/dbraw/zinc/29/62/77/412296277.db2.gz XYKQQHZARHBMLH-MRVPVSSYSA-N 2 0 211.309 0.111 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662773381 412298166 /nfs/dbraw/zinc/29/81/66/412298166.db2.gz HTSUQDRDHJALEB-SNVBAGLBSA-N 2 0 225.336 0.455 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000662782357 412299972 /nfs/dbraw/zinc/29/99/72/412299972.db2.gz ZAFKEQUJNHZOAV-QCLAVDOMSA-N 2 0 213.325 0.097 20 0 BCADRP C[NH+](C)CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662777748 412300018 /nfs/dbraw/zinc/30/00/18/412300018.db2.gz CPAJDLCRYRUXAS-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662782600 412301034 /nfs/dbraw/zinc/30/10/34/412301034.db2.gz FBVQFLNCMGDNOG-JTQLQIEISA-N 2 0 239.363 0.892 20 0 BCADRP CN(C(=O)[C@H]1C[C@H]([NH3+])C1)C1(C[NH3+])CCC1 ZINC000662784016 412301981 /nfs/dbraw/zinc/30/19/81/412301981.db2.gz HMCLPEMSDQLUII-KYZUINATSA-N 2 0 211.309 0.064 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662791560 412303982 /nfs/dbraw/zinc/30/39/82/412303982.db2.gz BGDFTMKNXAGDPK-LLVKDONJSA-N 2 0 239.363 0.811 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000662791296 412304215 /nfs/dbraw/zinc/30/42/15/412304215.db2.gz JATMHGBRVPMSKY-UHFFFAOYSA-N 2 0 223.320 0.174 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663011327 412369965 /nfs/dbraw/zinc/36/99/65/412369965.db2.gz PJVKJFOMDWKHHN-MFKMUULPSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@]1(NC(=O)C[C@H]([NH3+])c2ccccc2)CC[NH2+]C1 ZINC000663012760 412371297 /nfs/dbraw/zinc/37/12/97/412371297.db2.gz YUPQWAKAXXWGFG-GXTWGEPZSA-N 2 0 247.342 0.945 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000568247959 322930363 /nfs/dbraw/zinc/93/03/63/322930363.db2.gz CHJRMECHJLHYBP-QWHCGFSZSA-N 3 0 240.395 0.141 20 0 BCADRP CN(C(=O)CC(C)(C)[NH3+])[C@@H]1CCC[NH2+]CC1 ZINC000364648658 172300430 /nfs/dbraw/zinc/30/04/30/172300430.db2.gz RSONPGIICPTUFY-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CN(C(=O)CC(C)(C)[NH3+])[C@H]1CCC[NH2+]CC1 ZINC000364648657 172300631 /nfs/dbraw/zinc/30/06/31/172300631.db2.gz RSONPGIICPTUFY-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@@H](C[NH3+])C1CC1 ZINC000332186711 172327370 /nfs/dbraw/zinc/32/73/70/172327370.db2.gz YCCDRXIKIRYBMQ-WOPDTQHZSA-N 2 0 239.363 0.700 20 0 BCADRP CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1CC([NH3+])C1 ZINC000336204006 172327771 /nfs/dbraw/zinc/32/77/71/172327771.db2.gz XDOKBPDVEPSYCQ-NKVNRFPTSA-N 2 0 225.336 0.452 20 0 BCADRP CN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@@H]1CC[NH2+]C1 ZINC000378305996 172332742 /nfs/dbraw/zinc/33/27/42/172332742.db2.gz KSJPZYJLOGEAFG-GHMZBOCLSA-N 2 0 237.347 0.196 20 0 BCADRP CN(C)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000334982171 172366220 /nfs/dbraw/zinc/36/62/20/172366220.db2.gz YVQHNBHDASUHBK-VXGBXAGGSA-N 2 0 239.363 0.396 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C(C)(C)C[NH3+] ZINC000044752319 172394054 /nfs/dbraw/zinc/39/40/54/172394054.db2.gz VUNIDJZYXNFBKZ-UHFFFAOYSA-N 2 0 215.341 0.428 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000042171254 172395855 /nfs/dbraw/zinc/39/58/55/172395855.db2.gz FSCRZZXARWGPOB-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040807314 172395975 /nfs/dbraw/zinc/39/59/75/172395975.db2.gz PAGDUALXMWIWFL-SECBINFHSA-N 2 0 229.368 0.816 20 0 BCADRP C[NH+](C)CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335659920 172412148 /nfs/dbraw/zinc/41/21/48/172412148.db2.gz ALOHGDIDIZBHQN-PHIMTYICSA-N 2 0 225.336 0.006 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CC[NH3+])C1 ZINC000237182635 172525276 /nfs/dbraw/zinc/52/52/76/172525276.db2.gz SVXNNHQYWNXMIJ-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP CC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000229962602 487625048 /nfs/dbraw/zinc/62/50/48/487625048.db2.gz OBQULLOPKWXDSV-FGNRJIRKSA-N 2 0 212.337 0.972 20 0 BCADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000044515762 172985935 /nfs/dbraw/zinc/98/59/35/172985935.db2.gz ZCZDHABHNAWERP-GFCCVEGCSA-N 2 0 212.337 0.954 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000062890451 172994170 /nfs/dbraw/zinc/99/41/70/172994170.db2.gz USKOCVAXORMLBP-GFCCVEGCSA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000121449439 173013253 /nfs/dbraw/zinc/01/32/53/173013253.db2.gz OXZRXWWUTLWKDK-ZDUSSCGKSA-N 2 0 239.363 0.683 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000333755445 173030134 /nfs/dbraw/zinc/03/01/34/173030134.db2.gz AQDFJSTWGBRMMW-MNOVXSKESA-N 2 0 240.351 0.117 20 0 BCADRP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CC[NH3+] ZINC000371262269 173033034 /nfs/dbraw/zinc/03/30/34/173033034.db2.gz JVWREWLLIIGHIJ-GHMZBOCLSA-N 2 0 225.336 0.420 20 0 BCADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C[NH3+] ZINC000371261927 173033423 /nfs/dbraw/zinc/03/34/23/173033423.db2.gz FRVFTOQIYKTIDF-ZJUUUORDSA-N 2 0 211.309 0.030 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000040673628 173044026 /nfs/dbraw/zinc/04/40/26/173044026.db2.gz WIYWQBUDWVLFPJ-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC000353380702 173048115 /nfs/dbraw/zinc/04/81/15/173048115.db2.gz KRRZHNFFYBKCNS-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+](CCO)CCCO ZINC000305713810 173050312 /nfs/dbraw/zinc/05/03/12/173050312.db2.gz GIMGEIJGKFISJE-LBPRGKRZSA-N 2 0 230.352 0.147 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](O)C1 ZINC000305660809 173051000 /nfs/dbraw/zinc/05/10/00/173051000.db2.gz OFTHRMWRZMBWKG-RYUDHWBXSA-N 2 0 212.337 0.927 20 0 BCADRP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C[NH3+] ZINC000371261926 173058200 /nfs/dbraw/zinc/05/82/00/173058200.db2.gz FRVFTOQIYKTIDF-VHSXEESVSA-N 2 0 211.309 0.030 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000037995415 173114673 /nfs/dbraw/zinc/11/46/73/173114673.db2.gz NNDZMOAQMSSYDS-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000037647105 173114815 /nfs/dbraw/zinc/11/48/15/173114815.db2.gz ICLFUDYCUXWCEB-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000037484951 173115414 /nfs/dbraw/zinc/11/54/14/173115414.db2.gz IXIYURBNIVTHQW-NSHDSACASA-N 2 0 225.336 0.054 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000037484885 173115291 /nfs/dbraw/zinc/11/52/91/173115291.db2.gz ZICKKKQUDXKDHB-WDEREUQCSA-N 2 0 225.336 0.054 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH+]ccc2N)C1 ZINC000127279013 173115570 /nfs/dbraw/zinc/11/55/70/173115570.db2.gz SYMGSFBNEYPGDW-VIFPVBQESA-N 2 0 234.303 0.345 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000250608888 173115623 /nfs/dbraw/zinc/11/56/23/173115623.db2.gz MBBQDJNVFBUZSD-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC(C)(C)O)C2)C1 ZINC000308962020 173140177 /nfs/dbraw/zinc/14/01/77/173140177.db2.gz GQUHLZAJCFECFA-GFCCVEGCSA-N 2 0 212.337 0.785 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000129372818 173145225 /nfs/dbraw/zinc/14/52/25/173145225.db2.gz QCJWPXVHLIGUBM-YPMHNXCESA-N 2 0 247.342 0.754 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000037484874 173145245 /nfs/dbraw/zinc/14/52/45/173145245.db2.gz HAWPYXPQEOBVTQ-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042168033 173145270 /nfs/dbraw/zinc/14/52/70/173145270.db2.gz MBBQDJNVFBUZSD-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)c2ccnc(C[NH3+])c2)C1 ZINC000130062995 173147187 /nfs/dbraw/zinc/14/71/87/173147187.db2.gz JQOLLTTWHWBLSK-SNVBAGLBSA-N 2 0 248.330 0.222 20 0 BCADRP CN1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000336714623 173195411 /nfs/dbraw/zinc/19/54/11/173195411.db2.gz PEMNCFUCSOABPD-UTUOFQBUSA-N 2 0 237.347 0.434 20 0 BCADRP C[NH+]1CCC[C@@H]1CCN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000365873026 173198519 /nfs/dbraw/zinc/19/85/19/173198519.db2.gz LJPGXPLSAJBELA-HZSPNIEDSA-N 2 0 237.391 0.964 20 0 BCADRP CNC(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375760845 173246985 /nfs/dbraw/zinc/24/69/85/173246985.db2.gz UILAMQZEWWXTBQ-FOSCPWQOSA-N 2 0 239.363 0.680 20 0 BCADRP CNC(=O)CC[N@H+](C)CCCn1ccnc1 ZINC000181091782 173247822 /nfs/dbraw/zinc/24/78/22/173247822.db2.gz XDVXMXHKNMWPPL-UHFFFAOYSA-N 2 0 224.308 0.341 20 0 BCADRP CNC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341180601 173272979 /nfs/dbraw/zinc/27/29/79/173272979.db2.gz ZISKXYYHLJYYSY-UHFFFAOYSA-N 2 0 213.325 0.006 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000338160515 173280578 /nfs/dbraw/zinc/28/05/78/173280578.db2.gz SXLGVGHAWPQIKS-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000322991540 173281944 /nfs/dbraw/zinc/28/19/44/173281944.db2.gz CTBRJYNNKDRHNM-NSHDSACASA-N 2 0 241.379 0.973 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000323043251 173283354 /nfs/dbraw/zinc/28/33/54/173283354.db2.gz OWTHEYWZHQTWOQ-SRVKXCTJSA-N 2 0 239.363 0.727 20 0 BCADRP CNC(=O)[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000226438248 173306599 /nfs/dbraw/zinc/30/65/99/173306599.db2.gz JECWZALUGMHDSD-NEPJUHHUSA-N 2 0 239.363 0.444 20 0 BCADRP CNC(=O)[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000051919241 173307080 /nfs/dbraw/zinc/30/70/80/173307080.db2.gz RIORFFPCVVBEKT-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000335622364 173322997 /nfs/dbraw/zinc/32/29/97/173322997.db2.gz ASHXYMUEXPPADD-LLVKDONJSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]CC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000037804623 173324413 /nfs/dbraw/zinc/32/44/13/173324413.db2.gz QVFNHVRGZWYKSN-UHFFFAOYSA-N 2 0 227.352 0.537 20 0 BCADRP C[NH2+]CC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000262421077 173325340 /nfs/dbraw/zinc/32/53/40/173325340.db2.gz VALPHEQVXWKZEW-UHFFFAOYSA-N 2 0 235.331 0.583 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000366450133 173325968 /nfs/dbraw/zinc/32/59/68/173325968.db2.gz OUMBQQQFGDTPPY-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000037824267 173326017 /nfs/dbraw/zinc/32/60/17/173326017.db2.gz FVXHOVTWGRWNJE-LLVKDONJSA-N 2 0 225.336 0.293 20 0 BCADRP C[NH2+]CC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000237191679 173326172 /nfs/dbraw/zinc/32/61/72/173326172.db2.gz JLPWPDBVBPLIBL-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP C[NH2+]CC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000373003274 173326403 /nfs/dbraw/zinc/32/64/03/173326403.db2.gz UNZGFWIDDKXZFV-UHFFFAOYSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+]CC(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000373837650 173326522 /nfs/dbraw/zinc/32/65/22/173326522.db2.gz STBZQEAEGRXLEC-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000366450136 173326648 /nfs/dbraw/zinc/32/66/48/173326648.db2.gz OUMBQQQFGDTPPY-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000372426221 173327051 /nfs/dbraw/zinc/32/70/51/173327051.db2.gz LQYKSOJIRKPWMV-UHFFFAOYSA-N 2 0 225.336 0.198 20 0 BCADRP C[NH2+]CC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000040420156 173328643 /nfs/dbraw/zinc/32/86/43/173328643.db2.gz IETFXCZPXSGBPK-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]CC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000037901339 173329053 /nfs/dbraw/zinc/32/90/53/173329053.db2.gz KWBIKTSRARHMSI-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH2+]CC(=O)NCC[NH+]1CCC(C)CC1 ZINC000040772622 173329346 /nfs/dbraw/zinc/32/93/46/173329346.db2.gz OJZMAZIKUWTAID-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP C[NH2+]CC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000237224264 173329542 /nfs/dbraw/zinc/32/95/42/173329542.db2.gz JUNMVCZQZHPGAD-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP C[NH2+]CC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000237215829 173329466 /nfs/dbraw/zinc/32/94/66/173329466.db2.gz LSFHWXWZQZXZCD-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000193142721 173329901 /nfs/dbraw/zinc/32/99/01/173329901.db2.gz QEKIXOVZEZACBN-LBPRGKRZSA-N 2 0 249.358 0.843 20 0 BCADRP C[NH2+]CC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000237231624 173330402 /nfs/dbraw/zinc/33/04/02/173330402.db2.gz NOMPJKNRIJHKRB-CYBMUJFWSA-N 2 0 249.358 0.933 20 0 BCADRP C[NH2+]CC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000237236346 173330708 /nfs/dbraw/zinc/33/07/08/173330708.db2.gz IGNMIKHDMOCLAC-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000261546666 173330719 /nfs/dbraw/zinc/33/07/19/173330719.db2.gz LEPHBGPOMCEGHR-SNVBAGLBSA-N 2 0 241.360 0.686 20 0 BCADRP C[NH2+]CC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237266642 173331232 /nfs/dbraw/zinc/33/12/32/173331232.db2.gz NDTTWRBMHJMKMR-GRYCIOLGSA-N 2 0 241.379 0.688 20 0 BCADRP C[NH2+]CCC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000377139651 173339333 /nfs/dbraw/zinc/33/93/33/173339333.db2.gz JQYQWBPNZXLZDF-UHFFFAOYSA-N 2 0 239.363 0.588 20 0 BCADRP C[NH2+]CCC(=O)NCC[NH+]1CCC(C)CC1 ZINC000043605816 173340293 /nfs/dbraw/zinc/34/02/93/173340293.db2.gz GTCXEMRWHZNQTP-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000043604478 173340638 /nfs/dbraw/zinc/34/06/38/173340638.db2.gz TWIAOLMAGXUVPE-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000043600180 173340710 /nfs/dbraw/zinc/34/07/10/173340710.db2.gz PGOXGEVPHRHANR-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000357236254 173341184 /nfs/dbraw/zinc/34/11/84/173341184.db2.gz CLQZAKGSMHKXOP-NXEZZACHSA-N 2 0 225.336 0.337 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000357240791 173341292 /nfs/dbraw/zinc/34/12/92/173341292.db2.gz KGAGLZQTBHDASP-KOLCDFICSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+]CCC(=O)N[C@H](C)CC[NH+](C)C ZINC000043606340 173341754 /nfs/dbraw/zinc/34/17/54/173341754.db2.gz PUIOWBLLEGKZQC-SECBINFHSA-N 2 0 201.314 0.052 20 0 BCADRP C[NH2+]CCC1CC[NH+](CCOC)CC1 ZINC000070534518 173342768 /nfs/dbraw/zinc/34/27/68/173342768.db2.gz URBRWYHLJDZHDG-UHFFFAOYSA-N 2 0 200.326 0.954 20 0 BCADRP C[NH2+]CCCC(=O)NCC[NH+]1CCCCC1 ZINC000049575508 173343701 /nfs/dbraw/zinc/34/37/01/173343701.db2.gz RXAVXKDDDOLKAL-UHFFFAOYSA-N 2 0 227.352 0.588 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000364343125 173344054 /nfs/dbraw/zinc/34/40/54/173344054.db2.gz XJVNUDCUQHSOLF-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000226398485 173344266 /nfs/dbraw/zinc/34/42/66/173344266.db2.gz NEMIGWVYPNVOLD-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000127541417 173346542 /nfs/dbraw/zinc/34/65/42/173346542.db2.gz HHLMXDWDKUSMQE-GFCCVEGCSA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]CCCNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000121107797 173347037 /nfs/dbraw/zinc/34/70/37/173347037.db2.gz ZKHSRZLZTFTLDK-UHFFFAOYSA-N 2 0 247.342 0.208 20 0 BCADRP C[NH2+]CCC[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000042438679 173347368 /nfs/dbraw/zinc/34/73/68/173347368.db2.gz XQRVOPHSFSWGFJ-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000309630735 173347473 /nfs/dbraw/zinc/34/74/73/173347473.db2.gz KHGOXBUTAAELQS-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP C[NH2+]CCN(C)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000070304844 173351254 /nfs/dbraw/zinc/35/12/54/173351254.db2.gz JMFOZUXGKODSCG-GFCCVEGCSA-N 2 0 235.331 0.754 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]([NH3+])c1ccccc1C ZINC000295190857 173351817 /nfs/dbraw/zinc/35/18/17/173351817.db2.gz XFMISKFKHWNRMM-GFCCVEGCSA-N 2 0 235.331 0.673 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000368127233 173352158 /nfs/dbraw/zinc/35/21/58/173352158.db2.gz WXBHTIXRQCIHOU-MNOVXSKESA-N 2 0 227.352 0.298 20 0 BCADRP C[NH2+]CCNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000237075140 173355418 /nfs/dbraw/zinc/35/54/18/173355418.db2.gz JTFUEIARPKWILN-PWSUYJOCSA-N 2 0 235.331 0.658 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000364643653 173362486 /nfs/dbraw/zinc/36/24/86/173362486.db2.gz WLDDWGSGEYKNAX-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000370793206 173362691 /nfs/dbraw/zinc/36/26/91/173362691.db2.gz JQZPCFDFKOXPEO-SNVBAGLBSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000237235777 173363052 /nfs/dbraw/zinc/36/30/52/173363052.db2.gz JXBNGBXERPDDQQ-ZYHUDNBSSA-N 2 0 229.368 0.722 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000237246183 173363581 /nfs/dbraw/zinc/36/35/81/173363581.db2.gz JXBNGBXERPDDQQ-PWSUYJOCSA-N 2 0 229.368 0.722 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(CC(=O)N(C)C)C1 ZINC000040601220 173367961 /nfs/dbraw/zinc/36/79/61/173367961.db2.gz PLNFAOPHERBXHB-JTQLQIEISA-N 2 0 213.325 0.006 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1CCc1cnn(C)c1 ZINC000226428432 173369010 /nfs/dbraw/zinc/36/90/10/173369010.db2.gz DMHDMGYIQGHOSO-LBPRGKRZSA-N 2 0 222.336 0.646 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000333840200 173369328 /nfs/dbraw/zinc/36/93/28/173369328.db2.gz OCVANGSFZMAWPT-MNOVXSKESA-N 2 0 240.351 0.132 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000334149381 173369720 /nfs/dbraw/zinc/36/97/20/173369720.db2.gz GJMXNWCGKYNGQM-WCQYABFASA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000237323919 173373875 /nfs/dbraw/zinc/37/38/75/173373875.db2.gz GKWKVGRAWZEHSH-CMPLNLGQSA-N 2 0 235.331 0.658 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000125655638 173374083 /nfs/dbraw/zinc/37/40/83/173374083.db2.gz ABWKLQKXZHWWFT-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368184063 173374115 /nfs/dbraw/zinc/37/41/15/173374115.db2.gz ITDOZMBEXUOIET-HBNTYKKESA-N 2 0 225.336 0.052 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000226399318 173374192 /nfs/dbraw/zinc/37/41/92/173374192.db2.gz OXJOGNMJFLIZEY-UWVGGRQHSA-N 2 0 227.352 0.441 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000261551636 173374349 /nfs/dbraw/zinc/37/43/49/173374349.db2.gz QQEITJAYVCHWQL-IVZWLZJFSA-N 2 0 213.325 0.051 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC000237225133 173379998 /nfs/dbraw/zinc/37/99/98/173379998.db2.gz SAEVTOMLIWUTPL-LLVKDONJSA-N 2 0 227.352 0.537 20 0 BCADRP C[NH2+]C[C@H]1CCN(CC(=O)N[C@@H](C)C(C)C)C1 ZINC000071147474 173380971 /nfs/dbraw/zinc/38/09/71/173380971.db2.gz RQGXULMLOUEPOI-NWDGAFQWSA-N 2 0 241.379 0.688 20 0 BCADRP C[NH2+]C[C@H]1CCN(CC(=O)NCC(C)C)C1 ZINC000070799870 173380998 /nfs/dbraw/zinc/38/09/98/173380998.db2.gz KDKOGRPGYXMYRP-LLVKDONJSA-N 2 0 227.352 0.300 20 0 BCADRP COCC[NH+](C)C/C=C\C[N@@H+](C)CCOC ZINC000339930941 174275623 /nfs/dbraw/zinc/27/56/23/174275623.db2.gz CMUHZLBZPAJTDB-WAYWQWQTSA-N 2 0 230.352 0.699 20 0 BCADRP COCC[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000051919130 174278838 /nfs/dbraw/zinc/27/88/38/174278838.db2.gz IVPRIAUMLJSPHS-LLVKDONJSA-N 2 0 200.326 0.954 20 0 BCADRP COCC[NH+](CCOC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000234635569 174296130 /nfs/dbraw/zinc/29/61/30/174296130.db2.gz JVWBVOKDEJPIOG-CHWSQXEVSA-N 2 0 244.379 0.969 20 0 BCADRP COCCN(CCOC)C[C@H]1CCC[NH2+]1 ZINC000042442980 174296252 /nfs/dbraw/zinc/29/62/52/174296252.db2.gz RERZJODWSCBKQM-LLVKDONJSA-N 2 0 216.325 0.333 20 0 BCADRP COCC[NH+](CCOC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000234636623 174296265 /nfs/dbraw/zinc/29/62/65/174296265.db2.gz JVWBVOKDEJPIOG-STQMWFEESA-N 2 0 244.379 0.969 20 0 BCADRP COCC[N@@H+]1CC[C@H](Nc2ccnc(C)n2)C1 ZINC000266422635 174316239 /nfs/dbraw/zinc/31/62/39/174316239.db2.gz SFBQTTSKZNCORB-NSHDSACASA-N 2 0 236.319 0.918 20 0 BCADRP COCC[NH2+]CC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000237222671 174331481 /nfs/dbraw/zinc/33/14/81/174331481.db2.gz VINOTVKJMCVKSS-GFCCVEGCSA-N 2 0 245.367 0.102 20 0 BCADRP COCCOCCN1CCCC[C@@H]1C[NH3+] ZINC000070531753 174353341 /nfs/dbraw/zinc/35/33/41/174353341.db2.gz OFEJASHPWGLVTR-LLVKDONJSA-N 2 0 216.325 0.463 20 0 BCADRP COCCOCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000234648933 174354459 /nfs/dbraw/zinc/35/44/59/174354459.db2.gz BKEVCXBHZUCKIV-LLVKDONJSA-N 2 0 216.325 0.320 20 0 BCADRP COCCOCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125383604 174355085 /nfs/dbraw/zinc/35/50/85/174355085.db2.gz DFDJBXITIMRTCS-XQQFMLRXSA-N 2 0 242.363 0.709 20 0 BCADRP COCCOCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000044694157 174358247 /nfs/dbraw/zinc/35/82/47/174358247.db2.gz DPXLNJSONYAWPQ-FRRDWIJNSA-N 2 0 244.379 0.968 20 0 BCADRP COCCOCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128018880 174359246 /nfs/dbraw/zinc/35/92/46/174359246.db2.gz MGHHBVXEQZZEFE-QWHCGFSZSA-N 2 0 242.363 0.866 20 0 BCADRP COCC[C@@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000302682272 174379037 /nfs/dbraw/zinc/37/90/37/174379037.db2.gz QKDCDAFCQIHTHV-OLZOCXBDSA-N 2 0 241.379 0.391 20 0 BCADRP C[C@@H](CO)CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000228357314 487629119 /nfs/dbraw/zinc/62/91/19/487629119.db2.gz QTPNHHDOFGVPRH-CHWSQXEVSA-N 2 0 244.379 0.441 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCOC[C@H]1C ZINC000383496480 487631437 /nfs/dbraw/zinc/63/14/37/487631437.db2.gz DGCZBFUVMBIEGR-AGIUHOORSA-N 2 0 244.379 0.702 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000309424564 175710539 /nfs/dbraw/zinc/71/05/39/175710539.db2.gz KEKMHTACQYSQBB-UWVGGRQHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000040768232 175795945 /nfs/dbraw/zinc/79/59/45/175795945.db2.gz SDTDAIAUTJLYOM-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000070318027 175804205 /nfs/dbraw/zinc/80/42/05/175804205.db2.gz FVAZWIWUWMKIBP-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1CCC[N@H+](CCCCNC(N)=[NH2+])C1 ZINC000303258210 176097565 /nfs/dbraw/zinc/09/75/65/176097565.db2.gz KMODVLULEYRDKW-SNVBAGLBSA-N 2 0 212.341 0.982 20 0 BCADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000237540281 176097295 /nfs/dbraw/zinc/09/72/95/176097295.db2.gz DTVKHXLHZDETBL-VXGBXAGGSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040670566 176133534 /nfs/dbraw/zinc/13/35/34/176133534.db2.gz UFAYGOWCKXXSTQ-NQBHXWOUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1CCNC[C@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000332634738 176185948 /nfs/dbraw/zinc/18/59/48/176185948.db2.gz ZZPVZSQWFMLWNN-IRUJWGPZSA-N 2 0 234.347 0.855 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1CC12C[NH2+]C2 ZINC000375967070 176187331 /nfs/dbraw/zinc/18/73/31/176187331.db2.gz AENZHVXVWKOMBJ-GWOFURMSSA-N 2 0 237.347 0.099 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CCC[NH3+] ZINC000309760325 176187419 /nfs/dbraw/zinc/18/74/19/176187419.db2.gz IORLEGWLXUNSKY-FXPVBKGRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CC[NH2+]CC1 ZINC000336516377 176198786 /nfs/dbraw/zinc/19/87/86/176198786.db2.gz AHMXZACPQVXXJB-GHMZBOCLSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1CN(C(=O)C2CC[NH2+]CC2)[C@H](C)C[NH2+]1 ZINC000083354156 176243546 /nfs/dbraw/zinc/24/35/46/176243546.db2.gz TWCLZGCIMOJPOS-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1CN(C(=O)NCC[N@H+](C)C2CC2)C[C@H]1[NH3+] ZINC000331438170 176250929 /nfs/dbraw/zinc/25/09/29/176250929.db2.gz GXIUZIMBLAXANQ-MWLCHTKSSA-N 2 0 240.351 0.069 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC[C@@H]1[NH3+] ZINC000367385636 176254584 /nfs/dbraw/zinc/25/45/84/176254584.db2.gz KRGYPLLYNVLRTC-KKOKHZNYSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC[NH2+]1 ZINC000180897635 176257104 /nfs/dbraw/zinc/25/71/04/176257104.db2.gz XCBMEPGUUUVUKR-ZYHUDNBSSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCN1CCC1 ZINC000309162403 176268601 /nfs/dbraw/zinc/26/86/01/176268601.db2.gz ZOOGRNHAXVAKBR-NEPJUHHUSA-N 2 0 211.353 0.622 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000309784907 176271097 /nfs/dbraw/zinc/27/10/97/176271097.db2.gz NULMCXNJZMRRIX-KGYLQXTDSA-N 2 0 226.364 0.935 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000336751168 176271422 /nfs/dbraw/zinc/27/14/22/176271422.db2.gz CAECIYVLZXCBEH-UTUOFQBUSA-N 2 0 228.336 0.068 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000300414034 176279182 /nfs/dbraw/zinc/27/91/82/176279182.db2.gz ILYFJOMGAOEZAM-NDBYEHHHSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H](O)C[NH+](C)C ZINC000361232273 176279345 /nfs/dbraw/zinc/27/93/45/176279345.db2.gz XXNMEYNELWPRSA-LPWJVIDDSA-N 2 0 243.395 0.227 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1 ZINC000104341989 176280727 /nfs/dbraw/zinc/28/07/27/176280727.db2.gz NCIBPKFXBZASDC-DDHJBXDOSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000333537302 176329666 /nfs/dbraw/zinc/32/96/66/176329666.db2.gz KIRDLPGVTZOMSP-BBBLOLIVSA-N 2 0 225.336 0.099 20 0 BCADRP C[C@@H]1C[C@@H](N(C)CC(=O)NC2CC2)CC[N@@H+]1C ZINC000123796840 176370777 /nfs/dbraw/zinc/37/07/77/176370777.db2.gz GFFUGUXFLZFVIA-PWSUYJOCSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C(C)(C)C[NH3+])CC[NH2+]1 ZINC000336268590 176372588 /nfs/dbraw/zinc/37/25/88/176372588.db2.gz OTIBSHUXPDOHEI-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCC[NH2+]2)CC[NH2+]1 ZINC000370091937 176418595 /nfs/dbraw/zinc/41/85/95/176418595.db2.gz DFAKUMBUICWELY-IJLUTSLNSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000332157457 176459033 /nfs/dbraw/zinc/45/90/33/176459033.db2.gz QCNQOHWJUAILTF-UFGOTCBOSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000044798063 176656710 /nfs/dbraw/zinc/65/67/10/176656710.db2.gz SUJWPCLAFPLPDZ-SECBINFHSA-N 2 0 215.341 0.285 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000357240656 176657346 /nfs/dbraw/zinc/65/73/46/176657346.db2.gz JTDHONXKKJOJJS-BBBLOLIVSA-N 2 0 225.336 0.323 20 0 BCADRP CN(C(=O)C1([NH3+])CCCC1)[C@@H]1CC[NH2+]C1 ZINC000178409423 487635608 /nfs/dbraw/zinc/63/56/08/487635608.db2.gz UQKBZMICGFXJJN-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@H]1C(=O)NCCN1CCCn1ccnc1 ZINC000183171711 177059642 /nfs/dbraw/zinc/05/96/42/177059642.db2.gz MKXYHNAPWZUWQH-JTQLQIEISA-N 2 0 222.292 0.094 20 0 BCADRP C[C@H]1CC(=O)NCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000371199029 177062778 /nfs/dbraw/zinc/06/27/78/177062778.db2.gz QMMXNEYTGAODFH-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000019685428 177074898 /nfs/dbraw/zinc/07/48/98/177074898.db2.gz BKRZUJOPRFZKLW-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040670569 177127818 /nfs/dbraw/zinc/12/78/18/177127818.db2.gz UFAYGOWCKXXSTQ-DMDPSCGWSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC000126109212 177175849 /nfs/dbraw/zinc/17/58/49/177175849.db2.gz NLMWXUASJUETSV-JQWIXIFHSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1CC[C@@H](C(N)=O)CN1CC[NH2+]C(C)(C)C ZINC000042438691 177181889 /nfs/dbraw/zinc/18/18/89/177181889.db2.gz MEJQVZRAMMROSD-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC([NH3+])CC1 ZINC000336515130 177186568 /nfs/dbraw/zinc/18/65/68/177186568.db2.gz JWSJYDGNHHBNSC-PHIMTYICSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@H]1CN(C)C[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000336506043 177237230 /nfs/dbraw/zinc/23/72/30/177237230.db2.gz OZAJKTBKNFUXGS-WCQYABFASA-N 2 0 225.380 0.868 20 0 BCADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000309771423 177245968 /nfs/dbraw/zinc/24/59/68/177245968.db2.gz KNVPLRFXWKCQTQ-CMPLNLGQSA-N 3 0 211.353 0.655 20 0 BCADRP C[C@H]1CN(CC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000108357033 177254427 /nfs/dbraw/zinc/25/44/27/177254427.db2.gz GEIDDZKMQLSEPV-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@H]1COCC[C@@H]1[NH2+]CCn1ccnc1 ZINC000192128778 177295169 /nfs/dbraw/zinc/29/51/69/177295169.db2.gz KEWZOBVBEUPYSV-QWRGUYRKSA-N 2 0 209.293 0.898 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C(C)(C)C[NH3+])CC[NH2+]1 ZINC000336268592 177328620 /nfs/dbraw/zinc/32/86/20/177328620.db2.gz OTIBSHUXPDOHEI-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C[NH2+]CC2CC2)CC[N@@H+]1C ZINC000132955747 177329258 /nfs/dbraw/zinc/32/92/58/177329258.db2.gz IYRMOWSMMIUCEY-JQWIXIFHSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1C[C@H](C)C[NH+](CC(=O)N2CC[NH2+]CC2)C1 ZINC000019434783 177357725 /nfs/dbraw/zinc/35/77/25/177357725.db2.gz HXBAAJNRMXHTEV-RYUDHWBXSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C[NH2+]CC2CC2)CC[N@@H+]1C ZINC000132955328 177367005 /nfs/dbraw/zinc/36/70/05/177367005.db2.gz IYRMOWSMMIUCEY-CMPLNLGQSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C(C)(C)C[NH3+])CC[N@@H+]1C ZINC000133150381 177367042 /nfs/dbraw/zinc/36/70/42/177367042.db2.gz KYPUKFULLNOADH-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000094648198 177394968 /nfs/dbraw/zinc/39/49/68/177394968.db2.gz ZWOSTHOBJLBCMI-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000333577353 177395507 /nfs/dbraw/zinc/39/55/07/177395507.db2.gz NDSMMBPICUFSBR-YUSALJHKSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000377566110 177395629 /nfs/dbraw/zinc/39/56/29/177395629.db2.gz SWZQWTXPAPUARA-DDHJBXDOSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@@H]1C ZINC000377561356 177395664 /nfs/dbraw/zinc/39/56/64/177395664.db2.gz HHEMNJKRJVMOOC-DDHJBXDOSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000377566111 177395706 /nfs/dbraw/zinc/39/57/06/177395706.db2.gz SWZQWTXPAPUARA-NOOOWODRSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000377566113 177395910 /nfs/dbraw/zinc/39/59/10/177395910.db2.gz SWZQWTXPAPUARA-WRWGMCAJSA-N 2 0 239.363 0.761 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000383596263 487643472 /nfs/dbraw/zinc/64/34/72/487643472.db2.gz PDWQAXMQRAQROS-XQQFMLRXSA-N 2 0 244.379 0.702 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCN1C ZINC000226016906 487643669 /nfs/dbraw/zinc/64/36/69/487643669.db2.gz MMGHKXWGJLSOGM-NEPJUHHUSA-N 3 0 229.368 0.424 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)C(C)(C)C ZINC000393963676 487645053 /nfs/dbraw/zinc/64/50/53/487645053.db2.gz JSZHLFOOGXZGRS-RYUDHWBXSA-N 2 0 246.395 0.684 20 0 BCADRP CO[C@@](C)(CO)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000655787083 487645869 /nfs/dbraw/zinc/64/58/69/487645869.db2.gz SLTLPFOWJVYNKG-WCQYABFASA-N 2 0 244.379 0.704 20 0 BCADRP C[C@H](CNC(=O)/C=C\C[NH+](C)C)C[NH+](C)C ZINC000492838315 226064202 /nfs/dbraw/zinc/06/42/02/226064202.db2.gz MAUXGBZVYIJATP-JMEBYUIHSA-N 2 0 227.352 0.418 20 0 BCADRP C[NH+](C)C/C=C\C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000492947060 226089878 /nfs/dbraw/zinc/08/98/78/226089878.db2.gz DVSSOGDUFWOLMK-SKXBYLJPSA-N 2 0 237.347 0.124 20 0 BCADRP CN(C(=O)C=Cc1c[nH]cn1)[C@H]1CCC[N@H+](C)C1 ZINC000493341147 226190452 /nfs/dbraw/zinc/19/04/52/226190452.db2.gz UVJHTUPRUJUCHX-FJOGCWAESA-N 2 0 248.330 0.976 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000493897162 226258645 /nfs/dbraw/zinc/25/86/45/226258645.db2.gz LZGLAXVLZSQYIF-WOPDTQHZSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494670663 226267679 /nfs/dbraw/zinc/26/76/79/226267679.db2.gz GIBODCMHAQYMQM-VWYCJHECSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)[C@@H](C)C[NH2+]1 ZINC000494704794 226268366 /nfs/dbraw/zinc/26/83/66/226268366.db2.gz UCMIIZAYEIIDEK-WOPDTQHZSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000226084609 487656541 /nfs/dbraw/zinc/65/65/41/487656541.db2.gz DWKWFORBWOYJLU-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP O[C@H]1CCCC[C@@H]1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000328329311 487657814 /nfs/dbraw/zinc/65/78/14/487657814.db2.gz HAKBZMWXOBCITC-NDBYEHHHSA-N 2 0 224.348 0.689 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CC)[C@@H](C)C1 ZINC000383659687 487658792 /nfs/dbraw/zinc/65/87/92/487658792.db2.gz LGCKMWIHJLINDI-STQMWFEESA-N 2 0 243.395 0.325 20 0 BCADRP C[C@H](C[N@H+](C)C[C@H](O)C[NH3+])C(C)(C)C ZINC000399484590 487663030 /nfs/dbraw/zinc/66/30/30/487663030.db2.gz DADCJTVNAQCXIC-NXEZZACHSA-N 2 0 202.342 0.920 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000394974038 262758890 /nfs/dbraw/zinc/75/88/90/262758890.db2.gz ZNMHCGCTLVEEMX-GXSJLCMTSA-N 2 0 225.336 0.337 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000146448085 487674636 /nfs/dbraw/zinc/67/46/36/487674636.db2.gz AQHYBXCFCXZLLC-SNVBAGLBSA-N 2 0 213.325 0.006 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1cnn(C)c1 ZINC000227258057 487680745 /nfs/dbraw/zinc/68/07/45/487680745.db2.gz RCOGPLZKTGRXSY-ZYHUDNBSSA-N 2 0 222.336 0.774 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC(C)(C)C[NH+](C)C ZINC000037477070 487680259 /nfs/dbraw/zinc/68/02/59/487680259.db2.gz WQSFOFDBECCRII-UHFFFAOYSA-N 2 0 229.368 0.688 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1cnn(C)c1 ZINC000227258038 487680829 /nfs/dbraw/zinc/68/08/29/487680829.db2.gz RCOGPLZKTGRXSY-PWSUYJOCSA-N 2 0 222.336 0.774 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000054075505 487683791 /nfs/dbraw/zinc/68/37/91/487683791.db2.gz GOWISBLNXZHFNN-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)[C@H](CCO)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000384039532 487689637 /nfs/dbraw/zinc/68/96/37/487689637.db2.gz UWSBGFOYNOFCJY-OLZOCXBDSA-N 2 0 246.395 0.684 20 0 BCADRP CC(C)[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000043802298 487698651 /nfs/dbraw/zinc/69/86/51/487698651.db2.gz XPGGPQYTRYJJCW-LBPRGKRZSA-N 2 0 227.352 0.001 20 0 BCADRP CC[NH+](CC)CC(=O)NCC[NH2+]C1CC1 ZINC000151495166 487701809 /nfs/dbraw/zinc/70/18/09/487701809.db2.gz LOHPZDSUYFFDGN-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCC[NH2+]CC1 ZINC000653142312 487702149 /nfs/dbraw/zinc/70/21/49/487702149.db2.gz GWKSMWJERUFHFR-DCAQKATOSA-N 2 0 243.326 0.192 20 0 BCADRP [NH3+]CC1(C(=O)NCC[NH2+]C2CC2)CCCC1 ZINC000151513388 487701936 /nfs/dbraw/zinc/70/19/36/487701936.db2.gz DGODVBPDFKONGE-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP OCCC1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000097817918 487703255 /nfs/dbraw/zinc/70/32/55/487703255.db2.gz GXBRVBQADMWHOZ-LBPRGKRZSA-N 2 0 242.363 0.195 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000669402967 487704080 /nfs/dbraw/zinc/70/40/80/487704080.db2.gz CBAXWCNDVXTAFB-QWRGUYRKSA-N 2 0 240.351 0.117 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000669402968 487704484 /nfs/dbraw/zinc/70/44/84/487704484.db2.gz CBAXWCNDVXTAFB-WDEREUQCSA-N 2 0 240.351 0.117 20 0 BCADRP CN(C(=O)N[C@H]1CCC[N@H+](C)C1)C1CC([NH3+])C1 ZINC000669402960 487704510 /nfs/dbraw/zinc/70/45/10/487704510.db2.gz BZTLYTWTRKHWQF-YVNMAJEFSA-N 2 0 240.351 0.212 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000669403192 487705384 /nfs/dbraw/zinc/70/53/84/487705384.db2.gz OIVNJJXMLQYDDI-QWRGUYRKSA-N 2 0 242.367 0.363 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000669403310 487706582 /nfs/dbraw/zinc/70/65/82/487706582.db2.gz UPOFZCNKTCEBGZ-DCAQKATOSA-N 2 0 240.351 0.212 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164354 487707681 /nfs/dbraw/zinc/70/76/81/487707681.db2.gz OFSAHYRKWSIKEO-YEJSDXFRSA-N 2 0 239.363 0.726 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674244847 487717817 /nfs/dbraw/zinc/71/78/17/487717817.db2.gz XVOHDDMYSCZUNM-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H](CO)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000228721302 487719002 /nfs/dbraw/zinc/71/90/02/487719002.db2.gz SUXVDDAUGWWEBB-GRYCIOLGSA-N 2 0 230.352 0.050 20 0 BCADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H](C)CO ZINC000228721283 487719135 /nfs/dbraw/zinc/71/91/35/487719135.db2.gz SUXVDDAUGWWEBB-IJLUTSLNSA-N 2 0 230.352 0.050 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000249546744 487721451 /nfs/dbraw/zinc/72/14/51/487721451.db2.gz GKQTXFNTEYJZOW-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[C@H]2CC[NH2+]C2)[C@H]1C[NH3+] ZINC000249532032 487722062 /nfs/dbraw/zinc/72/20/62/487722062.db2.gz BDNUKXPZNSKMIR-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000309806133 487724769 /nfs/dbraw/zinc/72/47/69/487724769.db2.gz SEOTYRUFRVAICV-ZJUUUORDSA-N 2 0 215.341 0.476 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000154747810 487725586 /nfs/dbraw/zinc/72/55/86/487725586.db2.gz GQHCBSOFDBOUIS-ZJUUUORDSA-N 2 0 213.325 0.100 20 0 BCADRP CC(C)([NH3+])CC(=O)NCCC[NH+]1CCCC1 ZINC000082771696 487728050 /nfs/dbraw/zinc/72/80/50/487728050.db2.gz CPMYQLAYCYDTCT-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000082771603 487728702 /nfs/dbraw/zinc/72/87/02/487728702.db2.gz UEFDBVIOKOKDBV-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CC[N@H+](CCO)CCN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000681108863 487728315 /nfs/dbraw/zinc/72/83/15/487728315.db2.gz NHUZSIYEBQYOEM-STQMWFEESA-N 2 0 243.395 0.373 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)CC(C)(C)[NH3+] ZINC000082772521 487729878 /nfs/dbraw/zinc/72/98/78/487729878.db2.gz IZJMNZGXIAQYEB-UHFFFAOYSA-N 2 0 215.341 0.570 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000226394365 487730252 /nfs/dbraw/zinc/73/02/52/487730252.db2.gz BYMHIKAJOPOULP-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)([NH3+])CC(=O)NCC[NH+]1CCSCC1 ZINC000226389795 487730370 /nfs/dbraw/zinc/73/03/70/487730370.db2.gz HDUXNEKOUURDGM-UHFFFAOYSA-N 2 0 245.392 0.279 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)CC(C)(C)[NH3+] ZINC000082772435 487731537 /nfs/dbraw/zinc/73/15/37/487731537.db2.gz OYDACLHZKWMMPP-SNVBAGLBSA-N 2 0 229.368 0.960 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000155000340 487732131 /nfs/dbraw/zinc/73/21/31/487732131.db2.gz RAPJGLQMLDMTEY-VHSXEESVSA-N 2 0 213.325 0.180 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638146632 487732734 /nfs/dbraw/zinc/73/27/34/487732734.db2.gz RPBNNJPNNXRLKT-WSMDXJOWSA-N 2 0 239.363 0.726 20 0 BCADRP C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1CCOCC1 ZINC000379459464 487734115 /nfs/dbraw/zinc/73/41/15/487734115.db2.gz QUOLQNFYGUVIPW-STQMWFEESA-N 2 0 224.348 0.954 20 0 BCADRP C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C1CCOCC1 ZINC000379459460 487734560 /nfs/dbraw/zinc/73/45/60/487734560.db2.gz QUOLQNFYGUVIPW-CHWSQXEVSA-N 2 0 224.348 0.954 20 0 BCADRP C[C@H](CNC(=O)C1([NH3+])CCCC1)[N@H+](C)C1CC1 ZINC000226398900 487734891 /nfs/dbraw/zinc/73/48/91/487734891.db2.gz BJCZWBYPYKSZCO-SNVBAGLBSA-N 2 0 239.363 0.857 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000250582298 487735608 /nfs/dbraw/zinc/73/56/08/487735608.db2.gz GEOQCBJKXFMHQQ-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250787524 487739701 /nfs/dbraw/zinc/73/97/01/487739701.db2.gz YUKLHSKDBFGGAU-NEPJUHHUSA-N 2 0 239.363 0.727 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662876119 487743610 /nfs/dbraw/zinc/74/36/10/487743610.db2.gz QPYYERDMOVXCED-RUETXSTFSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)C1([NH2+]C2CC2)CCC1 ZINC000662875499 487743347 /nfs/dbraw/zinc/74/33/47/487743347.db2.gz JJGYHAKBUGDOCZ-UHFFFAOYSA-N 2 0 249.358 0.611 20 0 BCADRP CC(C)([NH3+])CCC(=O)NC1CCC([NH3+])CC1 ZINC000069634145 487757271 /nfs/dbraw/zinc/75/72/71/487757271.db2.gz KHNKCLKBGRHLRZ-UHFFFAOYSA-N 2 0 227.352 0.890 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659515580 487762381 /nfs/dbraw/zinc/76/23/81/487762381.db2.gz KNPWWHVVBOWQIH-QWRGUYRKSA-N 2 0 240.351 0.132 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000662965777 487774808 /nfs/dbraw/zinc/77/48/08/487774808.db2.gz NVCNRWFCQFOBON-HBNTYKKESA-N 2 0 227.352 0.583 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000132922539 487776004 /nfs/dbraw/zinc/77/60/04/487776004.db2.gz HZJISLUGGMFJGZ-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H]1C[N@H+](CCN2CCOCC2)CC[C@H]1[NH3+] ZINC000251615143 487777243 /nfs/dbraw/zinc/77/72/43/487777243.db2.gz DTDSHGXQDVSXRB-CHWSQXEVSA-N 2 0 241.379 0.378 20 0 BCADRP C[NH+](C)CCOCCNC(=O)CCC(C)(C)[NH3+] ZINC000234260032 487788274 /nfs/dbraw/zinc/78/82/74/487788274.db2.gz DJSLMFSHRIRFRP-UHFFFAOYSA-N 2 0 245.367 0.198 20 0 BCADRP CC[C@H]1C[N@H+](CCn2cccn2)CC[C@H]1[NH3+] ZINC000251727334 487793174 /nfs/dbraw/zinc/79/31/74/487793174.db2.gz KFUSVCMDECNJGF-NWDGAFQWSA-N 2 0 222.336 0.942 20 0 BCADRP [NH3+]CCC[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000414705119 487818995 /nfs/dbraw/zinc/81/89/95/487818995.db2.gz LBZTUMGFSDHIBB-GFCCVEGCSA-N 2 0 221.304 0.884 20 0 BCADRP [NH3+]CCC[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000414752319 487822109 /nfs/dbraw/zinc/82/21/09/487822109.db2.gz BRGVKVVTDXSTIK-UHFFFAOYSA-N 2 0 207.277 0.494 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000062073610 527066688 /nfs/dbraw/zinc/06/66/88/527066688.db2.gz LOLGQJQVWTYZOD-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP Cn1cc(CN[C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)nn1 ZINC000671760115 487829060 /nfs/dbraw/zinc/82/90/60/487829060.db2.gz DXAZLPHWOMWLSP-FRRDWIJNSA-N 2 0 249.362 0.778 20 0 BCADRP [NH3+]Cc1cc(C(=O)NCC[C@H]2CCC[NH2+]2)ccn1 ZINC000572833959 487832039 /nfs/dbraw/zinc/83/20/39/487832039.db2.gz UTELALBNVNOFIR-LLVKDONJSA-N 2 0 248.330 0.412 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CC1([NH3+])CCC1 ZINC000309312867 487835311 /nfs/dbraw/zinc/83/53/11/487835311.db2.gz XRNLCNWZBHVMIT-SECBINFHSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@](C[NH3+])([NH2+]CCOC(F)F)C1CC1 ZINC000852740695 588698518 /nfs/dbraw/zinc/69/85/18/588698518.db2.gz JVOFBZYKJGFBLC-VIFPVBQESA-N 2 0 208.252 0.943 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000389891709 487844641 /nfs/dbraw/zinc/84/46/41/487844641.db2.gz OAPRNXBACKJOBY-DTWKUNHWSA-N 2 0 249.305 0.569 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000877106939 590285179 /nfs/dbraw/zinc/28/51/79/590285179.db2.gz YAKZTGYOWUWKRE-IUCAKERBSA-N 2 0 213.325 0.180 20 0 BCADRP CC[N@@H+](CC(=O)N(C)C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000666620266 487846158 /nfs/dbraw/zinc/84/61/58/487846158.db2.gz ZSGKUCXYTFNMJE-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000877103651 590280482 /nfs/dbraw/zinc/28/04/82/590280482.db2.gz XGXKHLNPACYIEZ-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CC[C@H](n2cncn2)C1 ZINC000666697389 487861929 /nfs/dbraw/zinc/86/19/29/487861929.db2.gz ZCOBGVOJZRYOGY-RYUDHWBXSA-N 2 0 237.351 0.898 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H](n2cncn2)C1 ZINC000666697388 487862148 /nfs/dbraw/zinc/86/21/48/487862148.db2.gz ZCOBGVOJZRYOGY-NWDGAFQWSA-N 2 0 237.351 0.898 20 0 BCADRP COC1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCC1 ZINC000234713408 487865189 /nfs/dbraw/zinc/86/51/89/487865189.db2.gz ZAIQXHLGVFRLSG-GFCCVEGCSA-N 2 0 242.363 0.602 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000224903016 487868662 /nfs/dbraw/zinc/86/86/62/487868662.db2.gz RFVZFHMYSPLBAE-DCAQKATOSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccnc(C[NH3+])c2)[C@H](C)C[NH2+]1 ZINC000564931832 322963328 /nfs/dbraw/zinc/96/33/28/322963328.db2.gz VCNLISKJAHLVHE-NXEZZACHSA-N 2 0 248.330 0.363 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C1([NH+](C)C)CC1)C1CC1 ZINC000666809412 487884536 /nfs/dbraw/zinc/88/45/36/487884536.db2.gz IVFWXJQLJCIXIW-LLVKDONJSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C1([NH+](C)C)CC1)C1CC1 ZINC000666809413 487884669 /nfs/dbraw/zinc/88/46/69/487884669.db2.gz IVFWXJQLJCIXIW-NSHDSACASA-N 2 0 239.363 0.537 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000084420086 644424625 /nfs/dbraw/zinc/42/46/25/644424625.db2.gz XYUWDQKYVLYFHL-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)CC(N)=O ZINC000652220540 487885756 /nfs/dbraw/zinc/88/57/56/487885756.db2.gz CPQJWXWVEKFTDY-NSHDSACASA-N 2 0 229.368 0.818 20 0 BCADRP CC[C@H]1C[N@H+](CCN2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000403818399 487891593 /nfs/dbraw/zinc/89/15/93/487891593.db2.gz MOOZXJKEYPMKIK-STQMWFEESA-N 2 0 241.379 0.391 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC1([NH3+])CCCC1 ZINC000659547840 487892054 /nfs/dbraw/zinc/89/20/54/487892054.db2.gz FANAXLPKKZPQCE-RKDXNWHRSA-N 2 0 228.340 0.293 20 0 BCADRP C[C@@H](NC(=O)NCC1([NH3+])CCCC1)[C@H](C)[NH3+] ZINC000659547838 487892294 /nfs/dbraw/zinc/89/22/94/487892294.db2.gz FANAXLPKKZPQCE-DTWKUNHWSA-N 2 0 228.340 0.293 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC/C=C\C[NH3+] ZINC000669451472 487896640 /nfs/dbraw/zinc/89/66/40/487896640.db2.gz KXBMTGNGWLKLOI-ISALQUGTSA-N 2 0 242.367 0.531 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655516282 487897698 /nfs/dbraw/zinc/89/76/98/487897698.db2.gz RPGHBWORUAIKDS-ZETCQYMHSA-N 2 0 241.257 0.334 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655516260 487898113 /nfs/dbraw/zinc/89/81/13/487898113.db2.gz QVSAXWDXUXLMSW-WDSKDSINSA-N 2 0 227.230 0.120 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CC2)C1 ZINC000666913127 487903391 /nfs/dbraw/zinc/90/33/91/487903391.db2.gz DOQHNVAJAORCCK-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000194842409 487920279 /nfs/dbraw/zinc/92/02/79/487920279.db2.gz LRDIKYWFNFYDOM-CABZTGNLSA-N 2 0 233.315 0.337 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C[C@@H](C)[NH3+])CC[NH2+]1 ZINC000309408496 487920990 /nfs/dbraw/zinc/92/09/90/487920990.db2.gz IGKXBEILNVYLRB-NXEZZACHSA-N 2 0 213.325 0.180 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417283132 487922724 /nfs/dbraw/zinc/92/27/24/487922724.db2.gz CCMQTAXGPULSBK-GARJFASQSA-N 2 0 244.383 0.752 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCC[NH2+]C ZINC000417299328 487923712 /nfs/dbraw/zinc/92/37/12/487923712.db2.gz MMAWSLCWBCLNBG-SNVBAGLBSA-N 2 0 230.356 0.235 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000417295604 487923833 /nfs/dbraw/zinc/92/38/33/487923833.db2.gz FIOYOWVHPGZOAK-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000235155849 487925402 /nfs/dbraw/zinc/92/54/02/487925402.db2.gz TWKJCGDIAOIBMA-AEJSXWLSSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)[NH+](C)C ZINC000679354751 487927194 /nfs/dbraw/zinc/92/71/94/487927194.db2.gz ZNHZVHLGTLQRJQ-QJPTWQEYSA-N 2 0 239.363 0.489 20 0 BCADRP CC[N@H+](CCNC(=O)N(C)CC[NH2+]C)C1CC1 ZINC000417483676 487930605 /nfs/dbraw/zinc/93/06/05/487930605.db2.gz JSTKTGRNLXJMRR-UHFFFAOYSA-N 2 0 242.367 0.332 20 0 BCADRP Cn1ncnc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000226348485 487937279 /nfs/dbraw/zinc/93/72/79/487937279.db2.gz MDOMEJZKIZVFJT-UHFFFAOYSA-N 2 0 237.351 0.637 20 0 BCADRP C[C@H](NC(=O)C[NH+](C)C)C1CC[NH+](C)CC1 ZINC000682361003 487938085 /nfs/dbraw/zinc/93/80/85/487938085.db2.gz DMHNFEKBCHSURI-JTQLQIEISA-N 2 0 227.352 0.395 20 0 BCADRP CC[C@H](NC(=O)[C@H](C)[NH+](C)C)c1ncc[nH]1 ZINC000682363720 487939114 /nfs/dbraw/zinc/93/91/14/487939114.db2.gz UOQNTEYQJDAAFJ-IUCAKERBSA-N 2 0 224.308 0.927 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)CC(C)(C)[NH3+] ZINC000309422142 487946160 /nfs/dbraw/zinc/94/61/60/487946160.db2.gz JYWSVCZVNCVYIH-SECBINFHSA-N 2 0 215.341 0.748 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653166361 487949314 /nfs/dbraw/zinc/94/93/14/487949314.db2.gz DLCBQYZYMBLDKI-GAIPPQHRSA-N 2 0 239.363 0.759 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188754075 487949622 /nfs/dbraw/zinc/94/96/22/487949622.db2.gz GZUBLECFILPVRT-OUAUKWLOSA-N 2 0 245.342 0.533 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)NCC[NH3+] ZINC000083862977 487953329 /nfs/dbraw/zinc/95/33/29/487953329.db2.gz YURYPBLJRNAGMC-VIFPVBQESA-N 2 0 201.314 0.072 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])C1C[NH2+]C1 ZINC000566201588 322968409 /nfs/dbraw/zinc/96/84/09/322968409.db2.gz ADGLUANNCSIPPO-HOSYDEDBSA-N 2 0 239.363 0.476 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000564947239 322976743 /nfs/dbraw/zinc/97/67/43/322976743.db2.gz DOAQKNDANMBDHP-NXEZZACHSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000564956278 322980046 /nfs/dbraw/zinc/98/00/46/322980046.db2.gz IMWNOMSURWBQFF-ZDCRXTMVSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)CCC1CC[NH2+]CC1 ZINC000564958378 322981214 /nfs/dbraw/zinc/98/12/14/322981214.db2.gz KXIGZZFCBPIVBF-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)COC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566481882 323001166 /nfs/dbraw/zinc/00/11/66/323001166.db2.gz HNGTUVKRBQICQA-JHJVBQTASA-N 2 0 244.379 0.879 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](O)[C@@H]2CCOC2)C1 ZINC000566483448 323001458 /nfs/dbraw/zinc/00/14/58/323001458.db2.gz UIRFRHHHNQNXGV-WYUUTHIRSA-N 2 0 228.336 0.243 20 0 BCADRP C[C@@H]1C[C@@H](C)[N@H+](CCn2cncn2)C[C@@H]1C[NH3+] ZINC000397479753 323017662 /nfs/dbraw/zinc/01/76/62/323017662.db2.gz LLDICWZQRXVMEI-UTUOFQBUSA-N 2 0 237.351 0.583 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CC[NH3+] ZINC000566853722 323019248 /nfs/dbraw/zinc/01/92/48/323019248.db2.gz RYWYSAVSDYUVJJ-UWVGGRQHSA-N 2 0 213.325 0.134 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCCC[NH2+]C(C)C ZINC000562814875 323031437 /nfs/dbraw/zinc/03/14/37/323031437.db2.gz AWPVQOXCGHZZKK-SNVBAGLBSA-N 2 0 230.356 0.411 20 0 BCADRP [NH3+]CCOCC[NH+]1CCC(F)(F)CC1 ZINC000405073324 323032668 /nfs/dbraw/zinc/03/26/68/323032668.db2.gz YJWLZHJJYGNTOR-UHFFFAOYSA-N 2 0 208.252 0.693 20 0 BCADRP C[NH2+]CCCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000565149379 323032778 /nfs/dbraw/zinc/03/27/78/323032778.db2.gz NTFYEGMCCZIKGX-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]CCC1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000565151199 323032941 /nfs/dbraw/zinc/03/29/41/323032941.db2.gz PNPCEVPHFUVBQU-LLVKDONJSA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000567669356 323035295 /nfs/dbraw/zinc/03/52/95/323035295.db2.gz AHDUHSSPPVERLS-SCVCMEIPSA-N 2 0 225.336 0.228 20 0 BCADRP CN(CC[NH3+])C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000569723881 323038713 /nfs/dbraw/zinc/03/87/13/323038713.db2.gz OVZSZYSZGZRDMH-FGWVZKOKSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)C2CC[NH2+]CC2)cc1 ZINC000569724784 323038966 /nfs/dbraw/zinc/03/89/66/323038966.db2.gz JTZQBZBNJHISKW-UHFFFAOYSA-N 2 0 247.342 0.761 20 0 BCADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000569727841 323039001 /nfs/dbraw/zinc/03/90/01/323039001.db2.gz UVVJLZQVQLDAPO-NXEZZACHSA-N 2 0 215.341 0.569 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOC[C@@H]1CCCO1 ZINC000569821409 323041686 /nfs/dbraw/zinc/04/16/86/323041686.db2.gz FHRCZWWRHWTZOV-AGIUHOORSA-N 2 0 242.363 0.994 20 0 BCADRP [NH3+]C1(CNC(=O)C[C@@H]2CSCC[NH2+]2)CCC1 ZINC000569842639 323042535 /nfs/dbraw/zinc/04/25/35/323042535.db2.gz WYZCXBFTFQUEFG-SECBINFHSA-N 2 0 243.376 0.079 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000569928297 323044967 /nfs/dbraw/zinc/04/49/67/323044967.db2.gz COTYTQLPZJHWNQ-JTQLQIEISA-N 2 0 214.309 0.481 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000569970157 323046112 /nfs/dbraw/zinc/04/61/12/323046112.db2.gz UBUFMGKLCMCDEY-MPPDQPJWSA-N 2 0 237.347 0.100 20 0 BCADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CCC(N)=O)C1 ZINC000570037684 323047929 /nfs/dbraw/zinc/04/79/29/323047929.db2.gz VOCYBUZDYGAHAW-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP C[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000570082161 323049265 /nfs/dbraw/zinc/04/92/65/323049265.db2.gz SAEGKPWNZXQTDF-DRZSPHRISA-N 2 0 242.363 0.335 20 0 BCADRP COC[C@H](C)C[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000570144020 323050909 /nfs/dbraw/zinc/05/09/09/323050909.db2.gz ZJESGUHZCXLBMK-VXGBXAGGSA-N 2 0 230.352 0.627 20 0 BCADRP CN(CC[NH3+])C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000570161296 323051453 /nfs/dbraw/zinc/05/14/53/323051453.db2.gz IAZAAGBBWIOPJJ-LLVKDONJSA-N 2 0 227.352 0.668 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC(C)(C)C ZINC000570169195 323051812 /nfs/dbraw/zinc/05/18/12/323051812.db2.gz OUNWEGYZSATYIF-LLVKDONJSA-N 2 0 202.342 0.935 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCCCC[NH2+]2)C[C@H]1[NH3+] ZINC000570187940 323052324 /nfs/dbraw/zinc/05/23/24/323052324.db2.gz IEJSKOUPQDGDHT-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000570210841 323052943 /nfs/dbraw/zinc/05/29/43/323052943.db2.gz ZNNULBNAHXHCPG-AXFHLTTASA-N 2 0 225.336 0.195 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000570210745 323052999 /nfs/dbraw/zinc/05/29/99/323052999.db2.gz TVCPFSFUYRVQCB-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)(C[NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000570322167 323056090 /nfs/dbraw/zinc/05/60/90/323056090.db2.gz YBAIFHKQQBUWNS-GFCCVEGCSA-N 2 0 227.352 0.477 20 0 BCADRP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000570334768 323056373 /nfs/dbraw/zinc/05/63/73/323056373.db2.gz MWCHFRIWIQBTCT-UMNHJUIQSA-N 2 0 237.347 0.419 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCCNc1ccccn1 ZINC000570329918 323056533 /nfs/dbraw/zinc/05/65/33/323056533.db2.gz YDRBCMGZIXMDLB-SECBINFHSA-N 2 0 222.292 0.347 20 0 BCADRP C[C@@]1(CN[C@@H](CC[NH3+])C(F)F)CC[NH2+]C1 ZINC000570450462 323059923 /nfs/dbraw/zinc/05/99/23/323059923.db2.gz GFTBKZQEIRLYSZ-WCBMZHEXSA-N 2 0 221.295 0.558 20 0 BCADRP [NH3+]CCC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000570451523 323060037 /nfs/dbraw/zinc/06/00/37/323060037.db2.gz PLNXHDYXOTYNFD-VIFPVBQESA-N 2 0 234.303 0.185 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000155236354 323061043 /nfs/dbraw/zinc/06/10/43/323061043.db2.gz AOYPCACEJJJNCL-AEJSXWLSSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@]1(C(=O)N[C@@H](CC[NH3+])C(F)F)CC[NH2+]C1 ZINC000570514122 323061396 /nfs/dbraw/zinc/06/13/96/323061396.db2.gz GDZKTJOTEZZMGR-XVKPBYJWSA-N 2 0 235.278 0.085 20 0 BCADRP C[C@]1(C(=O)N[C@H](CC[NH3+])C(F)F)CC[NH2+]C1 ZINC000570514121 323061414 /nfs/dbraw/zinc/06/14/14/323061414.db2.gz GDZKTJOTEZZMGR-XCBNKYQSSA-N 2 0 235.278 0.085 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000570563736 323063068 /nfs/dbraw/zinc/06/30/68/323063068.db2.gz WEYHKCACGZNADL-GARJFASQSA-N 2 0 225.336 0.052 20 0 BCADRP [NH3+]CC[C@H](NC(=O)C[NH2+]CC1CC1)C(F)F ZINC000570569722 323063392 /nfs/dbraw/zinc/06/33/92/323063392.db2.gz FVZYCVGXZMLRBO-QMMMGPOBSA-N 2 0 235.278 0.085 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000570568433 323063485 /nfs/dbraw/zinc/06/34/85/323063485.db2.gz WCPXALOGQFPSNO-RYUDHWBXSA-N 2 0 239.363 0.573 20 0 BCADRP C[NH2+]C[C@H]1CCCN1CCCc1nc(C)no1 ZINC000570632943 323065603 /nfs/dbraw/zinc/06/56/03/323065603.db2.gz MQIDTGHBQJQXED-LLVKDONJSA-N 2 0 238.335 0.994 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H](C)CCC[NH3+] ZINC000570682207 323066928 /nfs/dbraw/zinc/06/69/28/323066928.db2.gz XANJXEQWLXNOSW-DTWKUNHWSA-N 2 0 201.314 0.086 20 0 BCADRP CN(CCOC[C@H]1CCCO1)[C@H](C[NH3+])C1CC1 ZINC000570682813 323066934 /nfs/dbraw/zinc/06/69/34/323066934.db2.gz ANIOOTRJWNXPJJ-CHWSQXEVSA-N 2 0 242.363 0.851 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000570685967 323067188 /nfs/dbraw/zinc/06/71/88/323067188.db2.gz BUUFZTHEPRJPHS-UWVGGRQHSA-N 2 0 213.325 0.039 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000570849996 323072478 /nfs/dbraw/zinc/07/24/78/323072478.db2.gz VJLPTEAYRIHXNG-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CCC(N)=O)C1 ZINC000570921277 323074256 /nfs/dbraw/zinc/07/42/56/323074256.db2.gz UQMRMUBMQYEKAZ-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP CC(C)[NH2+]CCCN[C@H]1C[N@H+](C)C[C@H]1C ZINC000570918473 323074274 /nfs/dbraw/zinc/07/42/74/323074274.db2.gz PGJTZEDQVLDDFD-NEPJUHHUSA-N 2 0 213.369 0.914 20 0 BCADRP CC1(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000570927446 323074402 /nfs/dbraw/zinc/07/44/02/323074402.db2.gz AOWDQDHOTWZFBV-GFCCVEGCSA-N 2 0 223.364 0.766 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000570926966 323074481 /nfs/dbraw/zinc/07/44/81/323074481.db2.gz PIDNCHGTCOSIKO-UHFFFAOYSA-N 2 0 241.379 0.819 20 0 BCADRP C[NH+](C)C/C=C/C(=O)NCC[NH+]1CCCCC1 ZINC000491625470 323081451 /nfs/dbraw/zinc/08/14/51/323081451.db2.gz CJJYRYCGTSQZHM-VOTSOKGWSA-N 2 0 239.363 0.706 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000567819354 323089399 /nfs/dbraw/zinc/08/93/99/323089399.db2.gz GWVFGGKXDORZLK-UKKRHICBSA-N 2 0 242.367 0.539 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000563093166 323091824 /nfs/dbraw/zinc/09/18/24/323091824.db2.gz XSZWDJZSRGJWOY-NXEZZACHSA-N 2 0 230.356 0.411 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000563096774 323092152 /nfs/dbraw/zinc/09/21/52/323092152.db2.gz JNVDIONHLANWRN-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC(F)F ZINC000563101433 323092445 /nfs/dbraw/zinc/09/24/45/323092445.db2.gz HOVFSMBFNPMIHO-YUMQZZPRSA-N 2 0 237.294 0.603 20 0 BCADRP [NH3+]C[C@H](NC(=O)c1ccc2c(c1)C[NH2+]C2)C1CC1 ZINC000563104640 323092515 /nfs/dbraw/zinc/09/25/15/323092515.db2.gz YXGYGMPZBPFXOV-ZDUSSCGKSA-N 2 0 245.326 0.757 20 0 BCADRP [NH3+]C[C@@H](NC(=O)c1ccc2c(c1)C[NH2+]C2)C1CC1 ZINC000563104639 323092533 /nfs/dbraw/zinc/09/25/33/323092533.db2.gz YXGYGMPZBPFXOV-CYBMUJFWSA-N 2 0 245.326 0.757 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)[C@@H](C)[NH3+])C1 ZINC000563106135 323092666 /nfs/dbraw/zinc/09/26/66/323092666.db2.gz WQOCGXJPFJRXIU-MXWKQRLJSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000563107183 323092796 /nfs/dbraw/zinc/09/27/96/323092796.db2.gz AFIMBSKEGWIFSK-FOGDFJRCSA-N 2 0 225.336 0.100 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000563109414 323093035 /nfs/dbraw/zinc/09/30/35/323093035.db2.gz CPPVTOMCVQJXMM-MNOVXSKESA-N 2 0 225.336 0.244 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N[C@H](C)CCC[NH3+] ZINC000563118724 323093883 /nfs/dbraw/zinc/09/38/83/323093883.db2.gz BWBRCNPAYNAPOG-HRDYMLBCSA-N 2 0 201.314 0.213 20 0 BCADRP COC[C@@]1(CNCC(C)(C)[NH3+])CCC[NH2+]1 ZINC000563135514 323094637 /nfs/dbraw/zinc/09/46/37/323094637.db2.gz NVNHDMLGOCRSSN-NSHDSACASA-N 2 0 215.341 0.082 20 0 BCADRP C[C@H](NC(=O)[C@H]1CSCN1)[C@H]1CCC[NH2+]C1 ZINC000563142868 323095174 /nfs/dbraw/zinc/09/51/74/323095174.db2.gz QHFJXXLKIIYDQK-LPEHRKFASA-N 2 0 243.376 0.153 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000563146614 323095406 /nfs/dbraw/zinc/09/54/06/323095406.db2.gz IEWHAARSXTVOFS-SECBINFHSA-N 2 0 234.303 0.305 20 0 BCADRP CC[NH2+]CCCNC(=O)C(CC)(CC)C[NH3+] ZINC000563146505 323095437 /nfs/dbraw/zinc/09/54/37/323095437.db2.gz MSNWBLCBFXFSRU-UHFFFAOYSA-N 2 0 229.368 0.867 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000563156591 323096157 /nfs/dbraw/zinc/09/61/57/323096157.db2.gz COHZOHIZHCXMBH-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]CCCC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000563159601 323097183 /nfs/dbraw/zinc/09/71/83/323097183.db2.gz GKTPUCGJAVLCRN-VXGBXAGGSA-N 2 0 239.363 0.716 20 0 BCADRP CCN(C)C(=O)CC[N@H+](C)C1CC[NH2+]CC1 ZINC000567893336 323097481 /nfs/dbraw/zinc/09/74/81/323097481.db2.gz AMDVITSRCSHQEI-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000563164371 323099192 /nfs/dbraw/zinc/09/91/92/323099192.db2.gz MBIIKHHPTVPPQB-NTZNESFSSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@@H]([NH3+])CC(F)F ZINC000563170485 323099921 /nfs/dbraw/zinc/09/99/21/323099921.db2.gz SDJRZBODHJDSPZ-LURJTMIESA-N 2 0 223.267 0.213 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(C)CC1 ZINC000570973440 323102418 /nfs/dbraw/zinc/10/24/18/323102418.db2.gz BCAUGESACKULPY-LLVKDONJSA-N 2 0 200.326 0.689 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)C[NH2+]C2CC2)C[C@@H]1C[NH3+] ZINC000571037696 323104379 /nfs/dbraw/zinc/10/43/79/323104379.db2.gz IBZIGLVKOBLUHH-MXWKQRLJSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000571048024 323105374 /nfs/dbraw/zinc/10/53/74/323105374.db2.gz YZIVVBOCDDZKQR-QMMMGPOBSA-N 2 0 207.277 0.109 20 0 BCADRP O=C(CC[NH2+]C1CC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000571060327 323106287 /nfs/dbraw/zinc/10/62/87/323106287.db2.gz LVAPZRXXAXVADZ-SECBINFHSA-N 2 0 247.289 0.242 20 0 BCADRP C[NH+](C)CCN1C(=O)C[C@@H]([NH2+]C(C)(C)C)C1=O ZINC000563348072 323119877 /nfs/dbraw/zinc/11/98/77/323119877.db2.gz HGVBVNAKDHEOHH-SECBINFHSA-N 2 0 241.335 0.064 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH2+]C)C1 ZINC000563411370 323124695 /nfs/dbraw/zinc/12/46/95/323124695.db2.gz FCOAUGRUUCSAST-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)C[C@@H]([NH3+])CNC(C)(C)C(=O)N(C)C ZINC000563435789 323125474 /nfs/dbraw/zinc/12/54/74/323125474.db2.gz GGMKMBXICNWSPM-SNVBAGLBSA-N 2 0 229.368 0.816 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000563583029 323130455 /nfs/dbraw/zinc/13/04/55/323130455.db2.gz FREGUGGBDPHIIU-CYBMUJFWSA-N 2 0 249.358 0.845 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000563583044 323130548 /nfs/dbraw/zinc/13/05/48/323130548.db2.gz HNUWBOFVZGUSJJ-GRYCIOLGSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000563588594 323130700 /nfs/dbraw/zinc/13/07/00/323130700.db2.gz JONJNPLTGVWDFN-SRVKXCTJSA-N 2 0 241.379 0.851 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000563623581 323132138 /nfs/dbraw/zinc/13/21/38/323132138.db2.gz LCQIKESMZZJJOL-OPRDCNLKSA-N 2 0 213.325 0.167 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000563623578 323132145 /nfs/dbraw/zinc/13/21/45/323132145.db2.gz LCQIKESMZZJJOL-KXUCPTDWSA-N 2 0 213.325 0.167 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]C1)N[C@H]1CC[NH2+]C1 ZINC000563637020 323133268 /nfs/dbraw/zinc/13/32/68/323133268.db2.gz NRXUNIKEESVIAJ-MNOVXSKESA-N 2 0 240.351 0.037 20 0 BCADRP C[C@H]([NH3+])C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000571080376 323135085 /nfs/dbraw/zinc/13/50/85/323135085.db2.gz YRMLDZANYBJNGT-QMMMGPOBSA-N 2 0 219.288 0.618 20 0 BCADRP CC[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000571106575 323135800 /nfs/dbraw/zinc/13/58/00/323135800.db2.gz KFNGEANNPPANDH-GUBZILKMSA-N 2 0 211.309 0.029 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000571178899 323137175 /nfs/dbraw/zinc/13/71/75/323137175.db2.gz SLZLRSBBKHFGGD-VWYCJHECSA-N 2 0 223.324 0.526 20 0 BCADRP [NH3+]CCCCC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000571283693 323140165 /nfs/dbraw/zinc/14/01/65/323140165.db2.gz YECQNCGREBKAGT-SSDOTTSWSA-N 2 0 241.257 0.511 20 0 BCADRP CC(C)[NH+](CCNC(=O)[C@H]1C[C@@H]([NH3+])C1)C(C)C ZINC000571285454 323140304 /nfs/dbraw/zinc/14/03/04/323140304.db2.gz DWJCSHWFUMFTOI-TXEJJXNPSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000571401021 323143585 /nfs/dbraw/zinc/14/35/85/323143585.db2.gz LYEAYKJHZHAFSZ-SDDRHHMPSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H](CNC(=O)CCCC[NH3+])[NH+]1CCCC1 ZINC000161078980 323145892 /nfs/dbraw/zinc/14/58/92/323145892.db2.gz PLAJMZAFECPFGP-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000571521913 323146818 /nfs/dbraw/zinc/14/68/18/323146818.db2.gz BTAJPTVOGXAADG-QWHCGFSZSA-N 2 0 242.363 0.853 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000571558225 323147890 /nfs/dbraw/zinc/14/78/90/323147890.db2.gz RKDGBEGXBXQOMA-GHMZBOCLSA-N 2 0 227.352 0.666 20 0 BCADRP CN1CCC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1=O ZINC000572856068 323149311 /nfs/dbraw/zinc/14/93/11/323149311.db2.gz WPWLXGMPIQJMSR-DCAQKATOSA-N 2 0 225.336 0.467 20 0 BCADRP COC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)C1CC1 ZINC000397273926 323150426 /nfs/dbraw/zinc/15/04/26/323150426.db2.gz YLFRDVIUZNJZOD-WCQGTBRESA-N 2 0 212.337 0.999 20 0 BCADRP CC[C@H](C(=O)NCC[N@@H+]1CC[C@@H](C)C1)[NH+](C)C ZINC000531959097 323157888 /nfs/dbraw/zinc/15/78/88/323157888.db2.gz OWWZPLGVRJUMPL-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559615 323162420 /nfs/dbraw/zinc/16/24/20/323162420.db2.gz IBSKSKJEBVLHKB-VWYCJHECSA-N 2 0 229.368 0.816 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000563706524 323174646 /nfs/dbraw/zinc/17/46/46/323174646.db2.gz JJDWORIWMLOZOZ-HBNTYKKESA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]([NH3+])C1)[C@H]([NH3+])c1ccccc1 ZINC000152327306 323176449 /nfs/dbraw/zinc/17/64/49/323176449.db2.gz WFNAPAKLWLVHNH-WXHSDQCUSA-N 2 0 247.342 0.882 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]([NH3+])C1)[C@@H]([NH3+])c1ccccc1 ZINC000152327415 323176454 /nfs/dbraw/zinc/17/64/54/323176454.db2.gz WFNAPAKLWLVHNH-WCFLWFBJSA-N 2 0 247.342 0.882 20 0 BCADRP CC/C=C\C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000563881276 323182869 /nfs/dbraw/zinc/18/28/69/323182869.db2.gz FJAPNMHWNHJOJH-DSYXLKISSA-N 2 0 241.379 0.151 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C1(C)C[NH2+]C1 ZINC000399237939 323201207 /nfs/dbraw/zinc/20/12/07/323201207.db2.gz HSDUXEZDXGKYIM-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP CC1CC[NH+](CCNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000399253697 323202147 /nfs/dbraw/zinc/20/21/47/323202147.db2.gz NQZSHJVVMHGGSN-UHFFFAOYSA-N 2 0 239.363 0.444 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COCCN2)[C@@H](C)C1 ZINC000530226753 323219548 /nfs/dbraw/zinc/21/95/48/323219548.db2.gz YJPXLLTZNBGHFW-XQQFMLRXSA-N 2 0 241.379 0.295 20 0 BCADRP CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000324590353 323241904 /nfs/dbraw/zinc/24/19/04/323241904.db2.gz DMLXGWLJXOTPEJ-QWRGUYRKSA-N 2 0 214.353 0.983 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484938 323284045 /nfs/dbraw/zinc/28/40/45/323284045.db2.gz JHIHEQYCMQKJAK-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH2+]CCCNC(=O)CC[C@H](C)[NH3+] ZINC000309117059 323319288 /nfs/dbraw/zinc/31/92/88/323319288.db2.gz LYVHAEYTUMIXNH-VIFPVBQESA-N 2 0 201.314 0.230 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCN1CCOCC1 ZINC000565155140 323320003 /nfs/dbraw/zinc/32/00/03/323320003.db2.gz CPPOTINEAVZSFA-OLZOCXBDSA-N 2 0 241.379 0.520 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)C(C)(C)O ZINC000309216430 323329531 /nfs/dbraw/zinc/32/95/31/323329531.db2.gz FPJLOSNCJZCFIT-JTQLQIEISA-N 2 0 232.368 0.438 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000571678210 323329542 /nfs/dbraw/zinc/32/95/42/323329542.db2.gz FSKGBSMTDFPJFT-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000309362134 323345989 /nfs/dbraw/zinc/34/59/89/323345989.db2.gz AOYPCACEJJJNCL-UTLUCORTSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418400661 323391728 /nfs/dbraw/zinc/39/17/28/323391728.db2.gz MMVKLUKRZPJABX-GHMZBOCLSA-N 2 0 242.367 0.396 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000309515503 323421919 /nfs/dbraw/zinc/42/19/19/323421919.db2.gz YMRZONWTFFTBPV-UWVGGRQHSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000571761068 323474201 /nfs/dbraw/zinc/47/42/01/323474201.db2.gz FFWQBSSGVOKYTH-CMPLNLGQSA-N 2 0 247.342 0.955 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCNc1cc[nH+]cc1 ZINC000571795441 323482158 /nfs/dbraw/zinc/48/21/58/323482158.db2.gz YPVZWBSTLCZYPL-SNVBAGLBSA-N 2 0 248.330 0.172 20 0 BCADRP C[C@]1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CCC(=O)N1 ZINC000571820415 323487013 /nfs/dbraw/zinc/48/70/13/323487013.db2.gz CJKNGIIIBYPJQE-JBLDHEPKSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000571873889 323491585 /nfs/dbraw/zinc/49/15/85/323491585.db2.gz GAJGUDKHTBEASJ-NQBHXWOUSA-N 2 0 239.363 0.701 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C[C@@H](C)[NH3+] ZINC000041680310 487958880 /nfs/dbraw/zinc/95/88/80/487958880.db2.gz OCIBFCYQPRPRHA-SNVBAGLBSA-N 2 0 215.341 0.524 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000572030473 323527575 /nfs/dbraw/zinc/52/75/75/323527575.db2.gz SWJJANUUVPJUDH-YUMQZZPRSA-N 2 0 201.314 0.071 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H](C)CC[NH3+] ZINC000572119056 323542401 /nfs/dbraw/zinc/54/24/01/323542401.db2.gz GGMNQZHSAMPGJS-IUCAKERBSA-N 2 0 201.314 0.228 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000572179163 323559903 /nfs/dbraw/zinc/55/99/03/323559903.db2.gz KHLFPLUKCONVKS-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000572825391 323586758 /nfs/dbraw/zinc/58/67/58/323586758.db2.gz BLUPTGPYIWYRII-LLVKDONJSA-N 2 0 242.367 0.378 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000572362332 323610437 /nfs/dbraw/zinc/61/04/37/323610437.db2.gz FVTZFALRNNVMHQ-MNOVXSKESA-N 2 0 227.352 0.429 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000158517743 487961962 /nfs/dbraw/zinc/96/19/62/487961962.db2.gz DEIQQHVNLGNNHL-SECBINFHSA-N 2 0 211.309 0.208 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCCn1ccnc1 ZINC000195311253 324202104 /nfs/dbraw/zinc/20/21/04/324202104.db2.gz KCPLGHIOHSOEJY-UHFFFAOYSA-N 2 0 224.308 0.340 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CC(C)C1 ZINC000565181354 324205933 /nfs/dbraw/zinc/20/59/33/324205933.db2.gz NQUXQZZYWDSTCN-NWDGAFQWSA-N 2 0 239.363 0.489 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)CC[NH3+] ZINC000529337833 324275921 /nfs/dbraw/zinc/27/59/21/324275921.db2.gz QBEKSLFMINTGSN-QWRGUYRKSA-N 2 0 242.367 0.363 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000529342092 324276853 /nfs/dbraw/zinc/27/68/53/324276853.db2.gz RECONUVIKZCSRH-DCAQKATOSA-N 2 0 242.367 0.362 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000529342091 324277044 /nfs/dbraw/zinc/27/70/44/324277044.db2.gz RECONUVIKZCSRH-AXFHLTTASA-N 2 0 242.367 0.362 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000158530457 487963649 /nfs/dbraw/zinc/96/36/49/487963649.db2.gz KGCRAVLVHMHPOU-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP CN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCC[NH2+]1 ZINC000083907435 487964208 /nfs/dbraw/zinc/96/42/08/487964208.db2.gz YPNWBRRRTUADLS-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP CC[C@@H](C(=O)NCC[NH2+]C(C)(C)C)[NH+](C)C ZINC000126541583 324702768 /nfs/dbraw/zinc/70/27/68/324702768.db2.gz LKNSNUGZSNPGRV-JTQLQIEISA-N 2 0 229.368 0.831 20 0 BCADRP CC1(C)CN(CC(=O)N2CC(n3ccnc3)C2)C1 ZINC000654791170 487965107 /nfs/dbraw/zinc/96/51/07/487965107.db2.gz BCRTYAXBPROPHW-UHFFFAOYSA-N 2 0 248.330 0.608 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)c1csc(CC[NH3+])n1 ZINC000564214196 324820679 /nfs/dbraw/zinc/82/06/79/324820679.db2.gz OWBDRYPNVLIYJP-SSDOTTSWSA-N 2 0 242.348 0.111 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)C ZINC000130789011 325088332 /nfs/dbraw/zinc/08/83/32/325088332.db2.gz HVTMKJLUJBXQEC-UHFFFAOYSA-N 2 0 201.314 0.004 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2COCCN2)cc1 ZINC000131206472 325125314 /nfs/dbraw/zinc/12/53/14/325125314.db2.gz CIDJAVDBYORYQN-NSHDSACASA-N 2 0 235.287 0.072 20 0 BCADRP CC[C@@H](C(=O)NCC[N@H+](C)C(C)C)[NH+](C)C ZINC000131472607 325154932 /nfs/dbraw/zinc/15/49/32/325154932.db2.gz PVCNJQXQXMUPHT-NSHDSACASA-N 2 0 229.368 0.783 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H](C)[NH2+]1 ZINC000247120065 325586487 /nfs/dbraw/zinc/58/64/87/325586487.db2.gz MKEBKIGZJIEGSW-DDHJBXDOSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000248973707 325630168 /nfs/dbraw/zinc/63/01/68/325630168.db2.gz DNTHZZDPMINCAA-NAKRPEOUSA-N 2 0 227.352 0.556 20 0 BCADRP CC[NH2+]CCCNC(=O)C1(C[NH3+])CCCC1 ZINC000564655232 325801344 /nfs/dbraw/zinc/80/13/44/325801344.db2.gz FITXXZPFPZVEIS-UHFFFAOYSA-N 2 0 227.352 0.621 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC(CC[NH3+])CC1 ZINC000564806857 325811105 /nfs/dbraw/zinc/81/11/05/325811105.db2.gz FWXWIVWUKUODMU-UHFFFAOYSA-N 2 0 241.379 0.916 20 0 BCADRP CC(C)[NH2+]CCC[NH2+][C@H](C)CC(=O)N(C)C ZINC000564821913 325812343 /nfs/dbraw/zinc/81/23/43/325812343.db2.gz LLFSMCFMKPECFE-LLVKDONJSA-N 2 0 229.368 0.831 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)CCOC2C[NH2+]C2)cc1 ZINC000564835663 325814142 /nfs/dbraw/zinc/81/41/42/325814142.db2.gz OCCNKYAJGAQURY-UHFFFAOYSA-N 2 0 249.314 0.462 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000564840872 325814824 /nfs/dbraw/zinc/81/48/24/325814824.db2.gz ZFXDOLALXOMBRA-NAKRPEOUSA-N 2 0 227.352 0.603 20 0 BCADRP O=C(NCC1CC[NH2+]CC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000564945905 325831393 /nfs/dbraw/zinc/83/13/93/325831393.db2.gz ZTYVAKOYHMAFQZ-WCQYABFASA-N 2 0 237.347 0.102 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000564947687 325831787 /nfs/dbraw/zinc/83/17/87/325831787.db2.gz TVBDGVWIZOZVNU-LBPRGKRZSA-N 2 0 247.342 0.956 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000564949550 325832481 /nfs/dbraw/zinc/83/24/81/325832481.db2.gz ANEWJLNEPUMBDJ-KXUCPTDWSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000564956845 325833632 /nfs/dbraw/zinc/83/36/32/325833632.db2.gz TXNIXONAGNEJJH-GUBZILKMSA-N 2 0 213.325 0.357 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000564955985 325833797 /nfs/dbraw/zinc/83/37/97/325833797.db2.gz DTBXLVSFUHBOTN-RHYQMDGZSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000564970159 325837030 /nfs/dbraw/zinc/83/70/30/325837030.db2.gz JCZVGIAGYPAORQ-UWVGGRQHSA-N 2 0 237.351 0.758 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]([NH3+])CC(F)F ZINC000564996902 325843610 /nfs/dbraw/zinc/84/36/10/325843610.db2.gz ZRPNEFGEESNPFT-SFYZADRCSA-N 2 0 249.305 0.473 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)c1c[nH+]ccc1N ZINC000565302575 325893755 /nfs/dbraw/zinc/89/37/55/325893755.db2.gz ALBRJOKNVPGKEE-QMMMGPOBSA-N 2 0 222.292 0.351 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000565717546 325947785 /nfs/dbraw/zinc/94/77/85/325947785.db2.gz MJODGTGKLGXWGO-PWSUYJOCSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000566194662 326010487 /nfs/dbraw/zinc/01/04/87/326010487.db2.gz DWOIOFHZZMDZPP-SNVBAGLBSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH3+] ZINC000566195157 326010794 /nfs/dbraw/zinc/01/07/94/326010794.db2.gz BLXNXWXBPCRUME-JTQLQIEISA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CC[NH2+]CC1 ZINC000566204388 326012293 /nfs/dbraw/zinc/01/22/93/326012293.db2.gz WIRJLUAHBKAYHX-KOLCDFICSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000566203290 326012706 /nfs/dbraw/zinc/01/27/06/326012706.db2.gz DOUZGUYBIFRISI-MNOVXSKESA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+]CC1(CC(=O)N2CCC3(CC[NH2+]3)CC2)CC1 ZINC000566208734 326013713 /nfs/dbraw/zinc/01/37/13/326013713.db2.gz LUHLHDPXVQUFSP-UHFFFAOYSA-N 2 0 237.347 0.470 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000566208907 326013877 /nfs/dbraw/zinc/01/38/77/326013877.db2.gz MJGWYPVVWYUHFQ-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000566210066 326013902 /nfs/dbraw/zinc/01/39/02/326013902.db2.gz YJJFZUUKVZKNLR-GWOFURMSSA-N 2 0 225.336 0.241 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566213318 326014351 /nfs/dbraw/zinc/01/43/51/326014351.db2.gz ZXQVXJAWYBGCTA-MXWKQRLJSA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H](C)CCC[NH3+] ZINC000566214300 326015061 /nfs/dbraw/zinc/01/50/61/326015061.db2.gz KAVQUJRGFBQUTB-SNVBAGLBSA-N 2 0 215.341 0.618 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H](C)CCC[NH3+] ZINC000566214299 326015165 /nfs/dbraw/zinc/01/51/65/326015165.db2.gz KAVQUJRGFBQUTB-JTQLQIEISA-N 2 0 215.341 0.618 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000566214929 326015946 /nfs/dbraw/zinc/01/59/46/326015946.db2.gz PMCTXFTWOJEXTG-AXFHLTTASA-N 2 0 243.351 0.126 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC1(C)CC[NH2+]CC1 ZINC000566253096 326020556 /nfs/dbraw/zinc/02/05/56/326020556.db2.gz ZNCGOPNLRDJSBO-SNVBAGLBSA-N 2 0 227.352 0.633 20 0 BCADRP C[C@@H]([NH3+])CN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000566245388 326022372 /nfs/dbraw/zinc/02/23/72/326022372.db2.gz PBSIOPVWNFCFTI-MNOVXSKESA-N 2 0 227.352 0.021 20 0 BCADRP C[NH2+]CC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000566244758 326022602 /nfs/dbraw/zinc/02/26/02/326022602.db2.gz LJRSUGSKSBITFZ-GFCCVEGCSA-N 3 0 225.380 0.917 20 0 BCADRP C[C@H]([NH3+])CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000566562271 326064174 /nfs/dbraw/zinc/06/41/74/326064174.db2.gz SJMHCOITZFBEHJ-DRZSPHRISA-N 2 0 241.379 0.552 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(C)(C)C[NH3+] ZINC000566562561 326064813 /nfs/dbraw/zinc/06/48/13/326064813.db2.gz RAHHIBNORQKUHC-YUMQZZPRSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000566618778 326068298 /nfs/dbraw/zinc/06/82/98/326068298.db2.gz FVRKRRDBQHRRRH-NXEZZACHSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000566796758 326084079 /nfs/dbraw/zinc/08/40/79/326084079.db2.gz IFCWRVVLSOKIGT-MXWKQRLJSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000566855175 326088289 /nfs/dbraw/zinc/08/82/89/326088289.db2.gz VLJWYAOQINOVQI-GWCFXTLKSA-N 2 0 247.342 0.727 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC(CC[NH3+])CC1 ZINC000566862806 326089399 /nfs/dbraw/zinc/08/93/99/326089399.db2.gz YOZCBPGCBOTMFF-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP [NH3+][C@@H](C(=O)NCC1CC[NH2+]CC1)C1CCC1 ZINC000566914071 326093660 /nfs/dbraw/zinc/09/36/60/326093660.db2.gz WGWWWRYODLHIEV-LLVKDONJSA-N 2 0 225.336 0.230 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000566918031 326093903 /nfs/dbraw/zinc/09/39/03/326093903.db2.gz DQOHWYQDWFGZMT-AXFHLTTASA-N 2 0 200.326 0.545 20 0 BCADRP COC[C@@]1(CNC[C@]2(C)CC[NH2+]C2)CCC[NH2+]1 ZINC000566973637 326098290 /nfs/dbraw/zinc/09/82/90/326098290.db2.gz NAOBZXGHBIBWGI-OLZOCXBDSA-N 2 0 241.379 0.344 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000567030814 326103652 /nfs/dbraw/zinc/10/36/52/326103652.db2.gz HOENWWBRXXZJQX-GMTAPVOTSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000567030815 326103833 /nfs/dbraw/zinc/10/38/33/326103833.db2.gz HOENWWBRXXZJQX-HBNTYKKESA-N 2 0 227.352 0.474 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)NC[C@H]1CCC[NH2+]C1 ZINC000567047689 326106165 /nfs/dbraw/zinc/10/61/65/326106165.db2.gz RPYAMHVRXDNBMO-RYUDHWBXSA-N 2 0 239.363 0.492 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000567109050 326117575 /nfs/dbraw/zinc/11/75/75/326117575.db2.gz PPSOBDHFHZPZFA-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000154396764 326142587 /nfs/dbraw/zinc/14/25/87/326142587.db2.gz WZCKWVKGGRPNCP-OUAUKWLOSA-N 2 0 227.352 0.713 20 0 BCADRP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]C3CC3)C2)C1 ZINC000567236014 326148588 /nfs/dbraw/zinc/14/85/88/326148588.db2.gz BEUXCFQSADDBAQ-FOGDFJRCSA-N 2 0 237.347 0.467 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000567267322 326153464 /nfs/dbraw/zinc/15/34/64/326153464.db2.gz ZVWZLMNJXMNBPC-GUBZILKMSA-N 2 0 230.356 0.267 20 0 BCADRP CN(CC1(C[NH3+])CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000567269636 326154008 /nfs/dbraw/zinc/15/40/08/326154008.db2.gz PRIGZUVTTWDYEY-FOSCPWQOSA-N 2 0 223.364 0.940 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000309784630 326163319 /nfs/dbraw/zinc/16/33/19/326163319.db2.gz NSFLIWUGFWMTEB-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000567336562 326165259 /nfs/dbraw/zinc/16/52/59/326165259.db2.gz IYBQYBWVCCCBCL-USZNOCQGSA-N 2 0 241.379 0.851 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@H]1CCC[NH+](C)C1 ZINC000309823350 326170336 /nfs/dbraw/zinc/17/03/36/326170336.db2.gz WVEWHSHMXFQGAX-JHJVBQTASA-N 2 0 225.380 0.868 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567354089 326172396 /nfs/dbraw/zinc/17/23/96/326172396.db2.gz XAQWVDNWXXWZMI-NNYUYHANSA-N 2 0 239.363 0.522 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000567362548 326174534 /nfs/dbraw/zinc/17/45/34/326174534.db2.gz GNKQELSCBQWTMG-GHMZBOCLSA-N 2 0 240.351 0.261 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000567383454 326180014 /nfs/dbraw/zinc/18/00/14/326180014.db2.gz AGXPSBIKCDBZMN-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP [NH3+]CCCCC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000567384155 326180820 /nfs/dbraw/zinc/18/08/20/326180820.db2.gz XDRUGJGQGPYGJX-NSHDSACASA-N 2 0 227.352 0.749 20 0 BCADRP [NH3+]CCCC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000567389162 326182167 /nfs/dbraw/zinc/18/21/67/326182167.db2.gz PWYDQGGAOBDQAM-ZDUSSCGKSA-N 2 0 247.342 0.810 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000567500300 326205231 /nfs/dbraw/zinc/20/52/31/326205231.db2.gz VUSXEXDHXINWED-YPMHNXCESA-N 2 0 237.347 0.183 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)c1coc(C[NH3+])c1 ZINC000567499984 326205318 /nfs/dbraw/zinc/20/53/18/326205318.db2.gz AHEZAIAFGGURML-UHFFFAOYSA-N 2 0 239.319 0.856 20 0 BCADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)COC)CC1 ZINC000155746959 326210501 /nfs/dbraw/zinc/21/05/01/326210501.db2.gz IRWBZQIBYQTTKO-CHWSQXEVSA-N 2 0 243.395 0.637 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000567587000 326223601 /nfs/dbraw/zinc/22/36/01/326223601.db2.gz PZWXMYMATYULCO-RYUDHWBXSA-N 2 0 233.315 0.540 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000567587108 326223656 /nfs/dbraw/zinc/22/36/56/326223656.db2.gz ZZCCYKIZDGSPMU-NOOOWODRSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000567604978 326227585 /nfs/dbraw/zinc/22/75/85/326227585.db2.gz WXTFJHJRTVEBFZ-QXEWZRGKSA-N 2 0 225.336 0.323 20 0 BCADRP COC[C@H](O)C[NH2+][C@@H](C)C1=CC[N@H+](C)CC1 ZINC000567606569 326227926 /nfs/dbraw/zinc/22/79/26/326227926.db2.gz UMPITGKKBJTUAE-CMPLNLGQSA-N 2 0 228.336 0.234 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000567611835 326228895 /nfs/dbraw/zinc/22/88/95/326228895.db2.gz ONVMZXNXJQZGCF-RYUDHWBXSA-N 2 0 237.347 0.410 20 0 BCADRP CCC1CC([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000567639279 326236689 /nfs/dbraw/zinc/23/66/89/326236689.db2.gz DLTHLQKLGKDYDA-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000567700727 326247667 /nfs/dbraw/zinc/24/76/67/326247667.db2.gz PZPNRGXXIYGYDH-JTQLQIEISA-N 2 0 212.337 0.831 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000567731997 326252821 /nfs/dbraw/zinc/25/28/21/326252821.db2.gz JFJCUMKNTSPVDC-YPMHNXCESA-N 2 0 241.379 0.914 20 0 BCADRP Cn1cnc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000313248525 326260223 /nfs/dbraw/zinc/26/02/23/326260223.db2.gz BRKBAUUIBAZTFJ-WDEREUQCSA-N 2 0 222.336 0.822 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000567823649 326261159 /nfs/dbraw/zinc/26/11/59/326261159.db2.gz FUAWMRCXBXJVJO-WDEREUQCSA-N 2 0 225.336 0.324 20 0 BCADRP Cc1cnccc1CN1CCCO[C@@H](C[NH3+])C1 ZINC000313339035 326263454 /nfs/dbraw/zinc/26/34/54/326263454.db2.gz DWSJMYIYDGJODW-ZDUSSCGKSA-N 2 0 235.331 0.940 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000567824908 326264407 /nfs/dbraw/zinc/26/44/07/326264407.db2.gz KMZSXLCNDHHTKP-JTQLQIEISA-N 2 0 239.363 0.680 20 0 BCADRP C[NH+](C)CCN(C(=O)CC1(C[NH3+])CC1)C1CC1 ZINC000567824917 326264670 /nfs/dbraw/zinc/26/46/70/326264670.db2.gz KWWHCOQIUBGJTM-UHFFFAOYSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1coc(C[NH3+])c1 ZINC000567835935 326266630 /nfs/dbraw/zinc/26/66/30/326266630.db2.gz RBIMQWDOWBVKRD-KWQFWETISA-N 2 0 237.303 0.466 20 0 BCADRP C[NH2+]CCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000567834932 326266671 /nfs/dbraw/zinc/26/66/71/326266671.db2.gz UNADWHKOEJGYFT-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP C(C[C@H]1CCC[NH2+]C1)[NH2+]CC1CC[NH2+]CC1 ZINC000567870873 326273952 /nfs/dbraw/zinc/27/39/52/326273952.db2.gz UELRKMSIQKACPD-GFCCVEGCSA-N 3 0 225.380 0.965 20 0 BCADRP CC[NH2+]CC1CC[NH+](CCOCC[NH3+])CC1 ZINC000567897029 326278970 /nfs/dbraw/zinc/27/89/70/326278970.db2.gz YWMWZVSREIYLIL-UHFFFAOYSA-N 3 0 229.368 0.283 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)c1coc(C[NH3+])c1 ZINC000567908980 326281618 /nfs/dbraw/zinc/28/16/18/326281618.db2.gz WJLHVHMGKIFSFM-SNVBAGLBSA-N 2 0 239.319 0.842 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@H](C)CCC[NH3+] ZINC000567912979 326282332 /nfs/dbraw/zinc/28/23/32/326282332.db2.gz YSCJJIAWHLPCTR-SNVBAGLBSA-N 2 0 229.368 0.995 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000567915713 326282802 /nfs/dbraw/zinc/28/28/02/326282802.db2.gz HROYDXHUCZEARO-MRVPVSSYSA-N 2 0 220.276 0.057 20 0 BCADRP [NH3+][C@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000568051539 326300846 /nfs/dbraw/zinc/30/08/46/326300846.db2.gz PZAYWYJZYXQTDC-AWEZNQCLSA-N 2 0 231.343 0.865 20 0 BCADRP C[NH2+]CCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000163275156 326311613 /nfs/dbraw/zinc/31/16/13/326311613.db2.gz QZDRNUOGSFKSML-LLVKDONJSA-N 2 0 221.304 0.412 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000568234101 326330912 /nfs/dbraw/zinc/33/09/12/326330912.db2.gz DZWRBJNDEHLLSA-WDEREUQCSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000568234099 326331058 /nfs/dbraw/zinc/33/10/58/326331058.db2.gz DZWRBJNDEHLLSA-MNOVXSKESA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000568248575 326334304 /nfs/dbraw/zinc/33/43/04/326334304.db2.gz VDIBVYJGADDZHJ-WYUUTHIRSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@H](CC(=O)NCC[NH3+])C1CC[NH2+]CC1 ZINC000158714076 326340476 /nfs/dbraw/zinc/34/04/76/326340476.db2.gz DZUJAKQEGFUVRV-SECBINFHSA-N 2 0 213.325 0.087 20 0 BCADRP CN(CCC[NH3+])C(=O)NCCC1=CC[NH2+]CC1 ZINC000568288310 326341568 /nfs/dbraw/zinc/34/15/68/326341568.db2.gz ZVGJLIICKMPIGY-UHFFFAOYSA-N 2 0 240.351 0.286 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000568516812 326362040 /nfs/dbraw/zinc/36/20/40/326362040.db2.gz OQPNGCDXNKJFRR-VXGBXAGGSA-N 2 0 239.363 0.444 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000568517519 326362250 /nfs/dbraw/zinc/36/22/50/326362250.db2.gz PJMJLQAMSKIAOE-AOOOYVTPSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568620413 326367814 /nfs/dbraw/zinc/36/78/14/326367814.db2.gz ZBTABISDLHHQIB-HBNTYKKESA-N 2 0 227.352 0.476 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000568627320 326368474 /nfs/dbraw/zinc/36/84/74/326368474.db2.gz XAZSMLBOSBUURC-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000568636603 326370084 /nfs/dbraw/zinc/37/00/84/326370084.db2.gz GZBAYFDFGHKCDM-AOOOYVTPSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@H](C(=O)N(CC[NH+](C)C)C1CC1)C1C[NH2+]C1 ZINC000568760234 326375483 /nfs/dbraw/zinc/37/54/83/326375483.db2.gz BYEKAEXVAMFURG-JTQLQIEISA-N 2 0 239.363 0.395 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H]1CCC[NH2+]C1)[C@H](C)[NH3+] ZINC000568870770 326380403 /nfs/dbraw/zinc/38/04/03/326380403.db2.gz QGHVIERDMMQVGY-TUAOUCFPSA-N 2 0 241.379 0.722 20 0 BCADRP [NH3+]CCOc1ccc(NC(=O)C2([NH3+])CC2)cc1 ZINC000568974914 326384302 /nfs/dbraw/zinc/38/43/02/326384302.db2.gz BNHHUZFRYPGDAK-UHFFFAOYSA-N 2 0 235.287 0.454 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000568998819 326385915 /nfs/dbraw/zinc/38/59/15/326385915.db2.gz GGOHWFFKKRKYNQ-ZYHUDNBSSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H](NC(=O)C[NH2+]C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000569095022 326389531 /nfs/dbraw/zinc/38/95/31/326389531.db2.gz BSKJMHLWVJIFAH-NXEZZACHSA-N 2 0 225.336 0.243 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000569220364 326395748 /nfs/dbraw/zinc/39/57/48/326395748.db2.gz DDYBPBDIVDMIQJ-GFCCVEGCSA-N 2 0 249.358 0.412 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000569219248 326395783 /nfs/dbraw/zinc/39/57/83/326395783.db2.gz MRTOPFINRYWQGE-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1c[nH+]ccc1N ZINC000569223329 326395986 /nfs/dbraw/zinc/39/59/86/326395986.db2.gz ZVGWPROZWLONRY-BDAKNGLRSA-N 2 0 234.303 0.303 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)C1C[NH2+]C1)[NH+]1CCCC1 ZINC000164695795 326415803 /nfs/dbraw/zinc/41/58/03/326415803.db2.gz WVVTYOGFACUQMT-GHMZBOCLSA-N 2 0 239.363 0.442 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000572876635 326416485 /nfs/dbraw/zinc/41/64/85/326416485.db2.gz PSEJIWRBSXWLTJ-ZYHUDNBSSA-N 2 0 227.352 0.620 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000573206512 326435315 /nfs/dbraw/zinc/43/53/15/326435315.db2.gz CGJZOWIBVZFSPQ-LLVKDONJSA-N 2 0 241.379 0.949 20 0 BCADRP C[C@@H](C(=O)N1CC[NH2+]CC1(C)C)[C@H](C)[NH3+] ZINC000309475680 487973488 /nfs/dbraw/zinc/97/34/88/487973488.db2.gz RYDMMXMHDIEZHZ-BDAKNGLRSA-N 2 0 213.325 0.180 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000158772095 487975036 /nfs/dbraw/zinc/97/50/36/487975036.db2.gz AFCLJZAONIAQFO-NXEZZACHSA-N 2 0 213.325 0.311 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000446407409 487980778 /nfs/dbraw/zinc/98/07/78/487980778.db2.gz AUMJZGRWEOHEPW-NQBHXWOUSA-N 2 0 239.363 0.905 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000446411172 487980948 /nfs/dbraw/zinc/98/09/48/487980948.db2.gz FKNAKYCCKMAQLH-UMNHJUIQSA-N 2 0 227.352 0.890 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000446409069 487981059 /nfs/dbraw/zinc/98/10/59/487981059.db2.gz QZUDPOONIFWNIC-MXWKQRLJSA-N 2 0 227.352 0.746 20 0 BCADRP CCN1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC000677182840 487992687 /nfs/dbraw/zinc/99/26/87/487992687.db2.gz MKRDGFQRFDRVQQ-LBPRGKRZSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CC2)CC[N@@H+]1C ZINC000226831090 487999303 /nfs/dbraw/zinc/99/93/03/487999303.db2.gz PEAUOWBMRUJLTF-YUSALJHKSA-N 2 0 212.337 0.830 20 0 BCADRP CC[N@@H+](C[C@H]1CCOC1)C[C@H]1CC[NH2+]C1 ZINC000309646771 488009935 /nfs/dbraw/zinc/00/99/35/488009935.db2.gz QRYQIQLJVCXZHQ-NWDGAFQWSA-N 2 0 212.337 0.954 20 0 BCADRP C[C@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCCC[NH2+]1 ZINC000195272013 488012477 /nfs/dbraw/zinc/01/24/77/488012477.db2.gz WBFSHOHMWRULHI-NTZNESFSSA-N 2 0 237.347 0.196 20 0 BCADRP CC[C@H]1C[N@H+](CCOCCOC)CC[C@@H]1[NH3+] ZINC000147480548 488027712 /nfs/dbraw/zinc/02/77/12/488027712.db2.gz CZZGAKYLIZBVCY-RYUDHWBXSA-N 2 0 230.352 0.709 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000165603316 488029093 /nfs/dbraw/zinc/02/90/93/488029093.db2.gz OLAQUEAYHGUHHC-VXGBXAGGSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)([NH3+])CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000084168036 488032294 /nfs/dbraw/zinc/03/22/94/488032294.db2.gz QYCBJCQDIJASEC-UHFFFAOYSA-N 2 0 239.363 0.857 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](C)[NH2+]C)C1 ZINC000655449198 488038076 /nfs/dbraw/zinc/03/80/76/488038076.db2.gz OYDRUFWMEJCQCV-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655450428 488040852 /nfs/dbraw/zinc/04/08/52/488040852.db2.gz NQHDWLPMCDZLTC-LOWVWBTDSA-N 2 0 237.347 0.244 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655450684 488042393 /nfs/dbraw/zinc/04/23/93/488042393.db2.gz WZAUKADPTNBRKS-GVXVVHGQSA-N 2 0 237.347 0.196 20 0 BCADRP COCC(COC)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000388381676 488043424 /nfs/dbraw/zinc/04/34/24/488043424.db2.gz QWCUMZCQTLXTPM-LLVKDONJSA-N 2 0 244.379 0.968 20 0 BCADRP C(N1[C@@H]2CC[C@H]1C[NH2+]CC2)[C@]12C[C@H]1C[NH2+]C2 ZINC000663496866 488045918 /nfs/dbraw/zinc/04/59/18/488045918.db2.gz ZZQUZFOXKUPTSA-QNWHQSFQSA-N 2 0 221.348 0.422 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655451135 488046724 /nfs/dbraw/zinc/04/67/24/488046724.db2.gz CSXMHAKWENVOAP-SCVCMEIPSA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)CN(C)[C@H]1CCCOC1 ZINC000401676074 488046634 /nfs/dbraw/zinc/04/66/34/488046634.db2.gz SSRZYIQHWDBMCO-STQMWFEESA-N 2 0 244.379 0.798 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091395284 488049066 /nfs/dbraw/zinc/04/90/66/488049066.db2.gz LPNMIOROEZAXCS-NWDGAFQWSA-N 2 0 241.379 0.912 20 0 BCADRP CN(CC[NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000669491113 488053196 /nfs/dbraw/zinc/05/31/96/488053196.db2.gz MHRHXSXMDSIVKQ-NSHDSACASA-N 2 0 240.351 0.071 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C[NH2+]C(C)C ZINC000220125212 488053158 /nfs/dbraw/zinc/05/31/58/488053158.db2.gz NUCDBWFZUOTNJB-NSHDSACASA-N 2 0 229.368 0.831 20 0 BCADRP c1c(C[NH2+]C2CC2)nnn1CC[NH+]1CCCC1 ZINC000052377442 488054807 /nfs/dbraw/zinc/05/48/07/488054807.db2.gz KIFKIDLRJIVDMS-UHFFFAOYSA-N 2 0 235.335 0.626 20 0 BCADRP C[NH2+][C@@H](C)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000655451981 488061278 /nfs/dbraw/zinc/06/12/78/488061278.db2.gz RXCJPWISQDJHQH-QMMMGPOBSA-N 2 0 234.303 0.274 20 0 BCADRP CC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000309423296 488064505 /nfs/dbraw/zinc/06/45/05/488064505.db2.gz KBMTULATFKGJMX-SNVBAGLBSA-N 2 0 207.277 0.821 20 0 BCADRP CC[C@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000309423294 488064834 /nfs/dbraw/zinc/06/48/34/488064834.db2.gz KBMTULATFKGJMX-JTQLQIEISA-N 2 0 207.277 0.821 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000236605312 488077490 /nfs/dbraw/zinc/07/74/90/488077490.db2.gz PDZLQQIAKZMFNP-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH2+]C)C1 ZINC000389150293 488078776 /nfs/dbraw/zinc/07/87/76/488078776.db2.gz JFOAAVXAXUYPQT-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH2+]C)C1 ZINC000389162721 488079542 /nfs/dbraw/zinc/07/95/42/488079542.db2.gz LXJNFFNWTYJUHP-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000236666731 488079802 /nfs/dbraw/zinc/07/98/02/488079802.db2.gz LPOLCTNHPPUTGG-UHFFFAOYSA-N 2 0 227.352 0.620 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH2+]C)C1 ZINC000389156812 488079699 /nfs/dbraw/zinc/07/96/99/488079699.db2.gz KWGWBFOESXHHHQ-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH3+])C1 ZINC000389169802 488080013 /nfs/dbraw/zinc/08/00/13/488080013.db2.gz NNACNANAMJMRME-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH2+]C)C1 ZINC000389162725 488080025 /nfs/dbraw/zinc/08/00/25/488080025.db2.gz LXJNFFNWTYJUHP-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000257681648 488080298 /nfs/dbraw/zinc/08/02/98/488080298.db2.gz JGBLDGGDHUWYAA-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257743547 488088146 /nfs/dbraw/zinc/08/81/46/488088146.db2.gz ZHPCHZRGAJRFTB-OLZOCXBDSA-N 2 0 223.364 0.671 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)CC[C@H](C)[NH3+])C1 ZINC000389400395 488094377 /nfs/dbraw/zinc/09/43/77/488094377.db2.gz PLLCKDGOBGVMLV-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP Cn1ncc(C2CC2)c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000667713011 488098356 /nfs/dbraw/zinc/09/83/56/488098356.db2.gz VITFUZRJQXBKDH-TXEJJXNPSA-N 2 0 246.358 0.949 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CCC2)C1 ZINC000389475866 488098450 /nfs/dbraw/zinc/09/84/50/488098450.db2.gz WFBMILZIBYSXJA-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP OCC[C@@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000389481903 488098564 /nfs/dbraw/zinc/09/85/64/488098564.db2.gz HDKJLGAUJWLBNT-RYUDHWBXSA-N 2 0 212.337 0.833 20 0 BCADRP C1C[NH2+][C@H](c2noc(C3CC[NH2+]CC3)n2)C1 ZINC000258061085 488098740 /nfs/dbraw/zinc/09/87/40/488098740.db2.gz PSLAZFDJEKRWPB-VIFPVBQESA-N 2 0 222.292 0.961 20 0 BCADRP C[NH+](C)CCn1cc(NC(=O)C(C)(C)[NH3+])cn1 ZINC000236988872 488099596 /nfs/dbraw/zinc/09/95/96/488099596.db2.gz XQPULJKRJCPADK-UHFFFAOYSA-N 2 0 239.323 0.121 20 0 BCADRP COC[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000310538628 488099415 /nfs/dbraw/zinc/09/94/15/488099415.db2.gz QAIAEYHTPNIEDW-QWHCGFSZSA-N 2 0 244.379 0.656 20 0 BCADRP C1C[NH2+][C@H](c2noc([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000258140302 488102073 /nfs/dbraw/zinc/10/20/73/488102073.db2.gz VIZOOWKSWUPXME-BDAKNGLRSA-N 2 0 222.292 0.961 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CC[NH+](C2CCC2)CC1 ZINC000378699301 488102136 /nfs/dbraw/zinc/10/21/36/488102136.db2.gz IFYRHWJFHHLWNR-GFCCVEGCSA-N 2 0 223.364 0.766 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237141580 488103247 /nfs/dbraw/zinc/10/32/47/488103247.db2.gz XPBMGIDSACBORY-IVZWLZJFSA-N 2 0 213.325 0.086 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000389647349 488104415 /nfs/dbraw/zinc/10/44/15/488104415.db2.gz NAFPFLJLLPMJEW-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000389683580 488105475 /nfs/dbraw/zinc/10/54/75/488105475.db2.gz YIXOTYYBXCSNGF-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000092951306 488106412 /nfs/dbraw/zinc/10/64/12/488106412.db2.gz UYGWUORBAUBOOA-JQWIXIFHSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000669508979 488108006 /nfs/dbraw/zinc/10/80/06/488108006.db2.gz YNBWVSPRYXBFAZ-VWYCJHECSA-N 2 0 225.336 0.243 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000084856366 488107970 /nfs/dbraw/zinc/10/79/70/488107970.db2.gz MWUQYQUTDPHSBF-AXFHLTTASA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CC1([NH3+])CCC1 ZINC000669509072 488108238 /nfs/dbraw/zinc/10/82/38/488108238.db2.gz MSXNVWXNGZVWKO-GHMZBOCLSA-N 2 0 239.363 0.986 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000669508441 488108909 /nfs/dbraw/zinc/10/89/09/488108909.db2.gz YCDKVSOCWDDJST-JTQLQIEISA-N 2 0 241.722 0.805 20 0 BCADRP Cn1ncnc1CN1CCC[C@H](n2ccnc2)C1 ZINC000674249650 487536785 /nfs/dbraw/zinc/53/67/85/487536785.db2.gz DBDBUQLKZJFGBT-NSHDSACASA-N 2 0 246.318 0.849 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000669509603 488110213 /nfs/dbraw/zinc/11/02/13/488110213.db2.gz HHTHMJYGHGNZCL-GRYCIOLGSA-N 2 0 239.363 0.633 20 0 BCADRP COC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)C1CC1 ZINC000397316368 488110795 /nfs/dbraw/zinc/11/07/95/488110795.db2.gz LGYPPPUGPURIIQ-OLZOCXBDSA-N 2 0 244.379 0.702 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726832 488111218 /nfs/dbraw/zinc/11/12/18/488111218.db2.gz KUWGBJCPEAZNBA-JTQLQIEISA-N 2 0 225.336 0.337 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726831 488111268 /nfs/dbraw/zinc/11/12/68/488111268.db2.gz KUWGBJCPEAZNBA-SNVBAGLBSA-N 2 0 225.336 0.337 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)CC1([NH3+])CCC1)C1CC1 ZINC000237188932 488112399 /nfs/dbraw/zinc/11/23/99/488112399.db2.gz PLNWTLNBIOSEJM-LLVKDONJSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCC[NH2+]C2CC2)C1 ZINC000669510339 488112608 /nfs/dbraw/zinc/11/26/08/488112608.db2.gz LJFOOLMSWJCTDY-GXSJLCMTSA-N 2 0 225.336 0.243 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)CC1([NH3+])CCC1 ZINC000669510967 488114748 /nfs/dbraw/zinc/11/47/48/488114748.db2.gz NXUJIZCEAGIICR-UHFFFAOYSA-N 2 0 227.352 0.892 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C[NH2+]C1CC1)C1CCCCC1 ZINC000669511114 488115218 /nfs/dbraw/zinc/11/52/18/488115218.db2.gz SQVMOYAQZIVYIX-GFCCVEGCSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000669511540 488115960 /nfs/dbraw/zinc/11/59/60/488115960.db2.gz YYFGBEFRGKFWDM-NXEZZACHSA-N 2 0 227.352 0.748 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CC1([NH3+])CCC1 ZINC000669511943 488116892 /nfs/dbraw/zinc/11/68/92/488116892.db2.gz OENICVURQLVXLU-GHMZBOCLSA-N 2 0 239.363 0.892 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000669511855 488117255 /nfs/dbraw/zinc/11/72/55/488117255.db2.gz JULLOQHPWISJOF-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000669511967 488116963 /nfs/dbraw/zinc/11/69/63/488116963.db2.gz PJNMANYXZAPNMS-ZDUSSCGKSA-N 2 0 247.342 0.508 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CC1([NH3+])CCC1 ZINC000669511946 488117055 /nfs/dbraw/zinc/11/70/55/488117055.db2.gz OENICVURQLVXLU-WDEREUQCSA-N 2 0 239.363 0.892 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000669512388 488118528 /nfs/dbraw/zinc/11/85/28/488118528.db2.gz NFJDRGPEXXHLMN-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C1([NH+](C)C)CC1 ZINC000668690777 488120876 /nfs/dbraw/zinc/12/08/76/488120876.db2.gz ZZFPVAMQOXNJTA-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000669513313 488120732 /nfs/dbraw/zinc/12/07/32/488120732.db2.gz YNBWVSPRYXBFAZ-GARJFASQSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2C[NH2+]CCO2)c1 ZINC000237227840 488121778 /nfs/dbraw/zinc/12/17/78/488121778.db2.gz GNBFQQDRMXJCRY-LBPRGKRZSA-N 2 0 249.314 0.333 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CC1([NH3+])CCC1 ZINC000669514037 488122168 /nfs/dbraw/zinc/12/21/68/488122168.db2.gz AZPUJSJPXPHCCQ-UWVGGRQHSA-N 2 0 225.336 0.372 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000258579497 488123014 /nfs/dbraw/zinc/12/30/14/488123014.db2.gz PUQBFPLSUUPFIO-QWRGUYRKSA-N 2 0 240.351 0.132 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)CC[NH2+]1 ZINC000669514934 488123741 /nfs/dbraw/zinc/12/37/41/488123741.db2.gz TYRAVONDEVUNEI-YPMHNXCESA-N 2 0 239.363 0.585 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669514548 488123823 /nfs/dbraw/zinc/12/38/23/488123823.db2.gz MTQGFQSLHMVHPD-VIFPVBQESA-N 2 0 234.303 0.366 20 0 BCADRP CC(C)[C@H]1CN(C(=O)CC(C)(C)[NH3+])CC[NH2+]1 ZINC000669514692 488124077 /nfs/dbraw/zinc/12/40/77/488124077.db2.gz ZYBJVJPSGJPSLI-SNVBAGLBSA-N 2 0 227.352 0.570 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669515877 488126129 /nfs/dbraw/zinc/12/61/29/488126129.db2.gz IAMOQNZZKZRTOQ-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(C)C)CC[C@@H]1[NH3+] ZINC000669516054 488126047 /nfs/dbraw/zinc/12/60/47/488126047.db2.gz PQWOCJKUDJZEPT-WOPDTQHZSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CC1([NH3+])CCC1 ZINC000669516823 488126488 /nfs/dbraw/zinc/12/64/88/488126488.db2.gz HCNVSAIQWJHPDO-VHSXEESVSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000136807730 488126512 /nfs/dbraw/zinc/12/65/12/488126512.db2.gz YGLGGYISMRPDNS-GHMZBOCLSA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+]CCCCNC(=O)C1(C[NH3+])CCCC1 ZINC000168142528 488129110 /nfs/dbraw/zinc/12/91/10/488129110.db2.gz DJCFMXKGSORRKF-UHFFFAOYSA-N 2 0 213.325 0.361 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](C)[NH3+] ZINC000669517738 488129575 /nfs/dbraw/zinc/12/95/75/488129575.db2.gz JSXVIVMFPOWUGJ-DTWKUNHWSA-N 2 0 215.341 0.474 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C[NH2+]C1CC1 ZINC000669518626 488130350 /nfs/dbraw/zinc/13/03/50/488130350.db2.gz URTCNVXDGJFLKM-LNLATYFQSA-N 2 0 225.336 0.241 20 0 BCADRP C[C@@H](CCO)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000085131493 488131909 /nfs/dbraw/zinc/13/19/09/488131909.db2.gz SVTIHWXVLZLMJB-NWDGAFQWSA-N 2 0 230.352 0.051 20 0 BCADRP CC(C)[NH+]1CCC(N[C@H]2CC[NH2+]C2)CC1 ZINC000086725602 487537675 /nfs/dbraw/zinc/53/76/75/487537675.db2.gz DVSOQFBIPWXARI-LBPRGKRZSA-N 2 0 211.353 0.811 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](C)[NH+](C)C ZINC000162103368 487538174 /nfs/dbraw/zinc/53/81/74/487538174.db2.gz UUBAOWQWFJKSMR-WDEREUQCSA-N 2 0 229.368 0.768 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)o1 ZINC000094565192 487541762 /nfs/dbraw/zinc/54/17/62/487541762.db2.gz CLSQZGAUCLCQJK-UHFFFAOYSA-N 2 0 237.303 0.564 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000382413148 487541599 /nfs/dbraw/zinc/54/15/99/487541599.db2.gz VEANNFNXPAMJIR-LPEHRKFASA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000674286853 487546572 /nfs/dbraw/zinc/54/65/72/487546572.db2.gz CSNNZAMMTFOOFB-UWVGGRQHSA-N 2 0 213.325 0.004 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000070088311 487549292 /nfs/dbraw/zinc/54/92/92/487549292.db2.gz AYZGLIBTQVQAPX-JTQLQIEISA-N 2 0 239.363 0.857 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000070088310 487549334 /nfs/dbraw/zinc/54/93/34/487549334.db2.gz AYZGLIBTQVQAPX-SNVBAGLBSA-N 2 0 239.363 0.857 20 0 BCADRP CC(C)(CO)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000168616521 487530236 /nfs/dbraw/zinc/53/02/36/487530236.db2.gz ABCMHKZEAUTIQT-VHSXEESVSA-N 2 0 200.326 0.864 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000669519857 488134667 /nfs/dbraw/zinc/13/46/67/488134667.db2.gz VDQUTBGITCOURL-GHMZBOCLSA-N 2 0 229.368 0.994 20 0 BCADRP CC[C@H]1CN(C(=O)C[NH+](C)C)CC[C@@H]1[NH3+] ZINC000167999273 487476944 /nfs/dbraw/zinc/47/69/44/487476944.db2.gz KTHCOPCXNRWLII-UWVGGRQHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000237610402 487492631 /nfs/dbraw/zinc/49/26/31/487492631.db2.gz BBLAZSKOROUOTF-WSMDXJOWSA-N 2 0 239.363 0.678 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000086271497 487493305 /nfs/dbraw/zinc/49/33/05/487493305.db2.gz KRZNIQOLKGCAMM-AXFHLTTASA-N 2 0 225.336 0.195 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000161608369 487506557 /nfs/dbraw/zinc/50/65/57/487506557.db2.gz ODTYGLIAGVGRCG-DCAQKATOSA-N 2 0 225.336 0.515 20 0 BCADRP [NH3+]CCN(Cc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000662266696 487503589 /nfs/dbraw/zinc/50/35/89/487503589.db2.gz OBHDCZVQMXVOFV-AWEZNQCLSA-N 2 0 249.358 0.436 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1)OC ZINC000662266628 487503845 /nfs/dbraw/zinc/50/38/45/487503845.db2.gz NREQEQKXPSXYIA-VWYCJHECSA-N 2 0 216.325 0.317 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973207 487504744 /nfs/dbraw/zinc/50/47/44/487504744.db2.gz JVPIQQFWJKZANO-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1)OC ZINC000300375194 487511653 /nfs/dbraw/zinc/51/16/53/487511653.db2.gz PHBZDRPOYORTHL-VWYCJHECSA-N 2 0 216.325 0.317 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)CC(C)(C)[NH3+] ZINC000381468972 487509767 /nfs/dbraw/zinc/50/97/67/487509767.db2.gz NOQGELMZBHCVMA-VIFPVBQESA-N 2 0 215.341 0.603 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000237314731 488145176 /nfs/dbraw/zinc/14/51/76/488145176.db2.gz UFOFCVGKSZNCRA-GFCCVEGCSA-N 2 0 241.379 0.818 20 0 BCADRP CN(C[C@H]1C[NH2+]CCO1)C[C@@H]1CCC[N@H+](C)C1 ZINC000258991480 488145501 /nfs/dbraw/zinc/14/55/01/488145501.db2.gz VPAOGBOAOZFPGN-CHWSQXEVSA-N 2 0 241.379 0.248 20 0 BCADRP CN(C[C@@H]1CC[NH2+]C1)C[C@H]1CCC[N@H+](C)C1 ZINC000259031279 488147015 /nfs/dbraw/zinc/14/70/15/488147015.db2.gz ZQWAMEQOZKOCPA-OLZOCXBDSA-N 2 0 225.380 0.870 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CC1([NH3+])CCC1 ZINC000237414866 488155448 /nfs/dbraw/zinc/15/54/48/488155448.db2.gz MSXNVWXNGZVWKO-QWRGUYRKSA-N 2 0 239.363 0.986 20 0 BCADRP CN(C)C(=O)CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085283329 488155702 /nfs/dbraw/zinc/15/57/02/488155702.db2.gz IMXIWCNFUSDXIC-GHMZBOCLSA-N 2 0 225.336 0.006 20 0 BCADRP C[C@@H](C(=O)NC1CC[NH+](C2CC2)CC1)[NH+](C)C ZINC000674244763 487534295 /nfs/dbraw/zinc/53/42/95/487534295.db2.gz NIUOIHFTNBOAII-JTQLQIEISA-N 2 0 239.363 0.680 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000390507010 488163488 /nfs/dbraw/zinc/16/34/88/488163488.db2.gz XMTYIURXDPOPOE-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH3+])C1 ZINC000389152500 488165477 /nfs/dbraw/zinc/16/54/77/488165477.db2.gz JVXYCAJWLHMYCT-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H](C)[NH+](C)C)C1CC1 ZINC000674246708 487534932 /nfs/dbraw/zinc/53/49/32/487534932.db2.gz PVROPJSPYUHOPP-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP [NH3+]CCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000309634551 490044840 /nfs/dbraw/zinc/04/48/40/490044840.db2.gz SAFWBZOVPGYCOH-JTQLQIEISA-N 2 0 207.277 0.151 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CCOC(C)C ZINC000234784668 487877276 /nfs/dbraw/zinc/87/72/76/487877276.db2.gz RVKMMWGGQUSDMV-NSHDSACASA-N 2 0 218.341 0.755 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000309513858 487982046 /nfs/dbraw/zinc/98/20/46/487982046.db2.gz YASPQLHUHGAQAL-UWVGGRQHSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@H]1C[C@H](NCC23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000663499575 488047638 /nfs/dbraw/zinc/04/76/38/488047638.db2.gz DFSCQTFGDACJSK-UZEXVOJHSA-N 2 0 209.337 0.469 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663498837 488047488 /nfs/dbraw/zinc/04/74/88/488047488.db2.gz UGTVLFZRMDHCMJ-WYUUTHIRSA-N 3 0 209.337 0.313 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)C1CC1 ZINC000655451741 488059985 /nfs/dbraw/zinc/05/99/85/488059985.db2.gz ODXGVSFBLPMSGJ-NQBHXWOUSA-N 2 0 237.347 0.230 20 0 BCADRP COC[C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657573114 488136861 /nfs/dbraw/zinc/13/68/61/488136861.db2.gz JVXDQPSVQVPGGN-QWHCGFSZSA-N 2 0 245.411 0.883 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000669520266 488139706 /nfs/dbraw/zinc/13/97/06/488139706.db2.gz SCBWNVKPLYNNNN-SFYZADRCSA-N 2 0 237.294 0.459 20 0 BCADRP CC[NH+](CC)CC(=O)NC1CC([NH+](C)C)C1 ZINC000670402233 488143808 /nfs/dbraw/zinc/14/38/08/488143808.db2.gz PZGRYOYTBYOOIP-UHFFFAOYSA-N 2 0 227.352 0.537 20 0 BCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C[C@@H]1C[NH2+]CCO1 ZINC000258991483 488145466 /nfs/dbraw/zinc/14/54/66/488145466.db2.gz VPAOGBOAOZFPGN-OLZOCXBDSA-N 2 0 241.379 0.248 20 0 BCADRP CCCN(C(=O)CC(C)(C)[NH3+])[C@H]1CC[NH2+]C1 ZINC000178900902 488145548 /nfs/dbraw/zinc/14/55/48/488145548.db2.gz PXEXYFGYKJEYEC-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000237325013 488149158 /nfs/dbraw/zinc/14/91/58/488149158.db2.gz CTAFDITXNVWUPM-UWVGGRQHSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000237406120 488155043 /nfs/dbraw/zinc/15/50/43/488155043.db2.gz JQQYMYMGFSBANL-GHMZBOCLSA-N 2 0 239.363 0.844 20 0 BCADRP C[NH2+]CCC[N@H+](C)CCc1ccnn1C ZINC000230775393 488156548 /nfs/dbraw/zinc/15/65/48/488156548.db2.gz RSTJMDGZZQVLFT-UHFFFAOYSA-N 2 0 210.325 0.504 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000085358217 488163736 /nfs/dbraw/zinc/16/37/36/488163736.db2.gz MKBUJRMOWHWVDT-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000390554837 488166606 /nfs/dbraw/zinc/16/66/06/488166606.db2.gz PZACQFIYVQIGGJ-IVZWLZJFSA-N 2 0 213.325 0.452 20 0 BCADRP C[C@]([NH3+])(C(=O)NCC[NH2+]C1CC1)c1ccccc1 ZINC000195232074 488174575 /nfs/dbraw/zinc/17/45/75/488174575.db2.gz NSKUGQGBIWRGIO-CQSZACIVSA-N 2 0 247.342 0.729 20 0 BCADRP Cc1ncc(C[NH2+]C2(CC(N)=O)CCC2)n1C ZINC000668002717 488181549 /nfs/dbraw/zinc/18/15/49/488181549.db2.gz ZXYNIUYZXPWYST-UHFFFAOYSA-N 2 0 236.319 0.616 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000519760405 488188310 /nfs/dbraw/zinc/18/83/10/488188310.db2.gz RBXGGMPXGLAIOS-JHJVBQTASA-N 2 0 244.379 0.440 20 0 BCADRP CC(C)[NH2+]CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322556659 488191563 /nfs/dbraw/zinc/19/15/63/488191563.db2.gz CBGOZQOJEPVDSY-YOGCLGLASA-N 2 0 239.363 0.726 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CC2([NH3+])CC2)CC[N@@H+]1C ZINC000398073942 488207631 /nfs/dbraw/zinc/20/76/31/488207631.db2.gz AVAUGHRBQPFWQP-NXEZZACHSA-N 2 0 225.336 0.467 20 0 BCADRP CC[NH+]1CCC(N(C)C[C@H]2C[NH2+]CCO2)CC1 ZINC000043802986 488210135 /nfs/dbraw/zinc/21/01/35/488210135.db2.gz BNNBCPXOXFPQHG-CYBMUJFWSA-N 2 0 241.379 0.391 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)CC1([NH3+])CC1 ZINC000398098969 488210633 /nfs/dbraw/zinc/21/06/33/488210633.db2.gz WCNKLYXFSVYJPM-UHFFFAOYSA-N 2 0 241.379 0.914 20 0 BCADRP [NH3+]C1(CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000398109412 488211236 /nfs/dbraw/zinc/21/12/36/488211236.db2.gz WSUIFRNTOWYCSV-GHMZBOCLSA-N 2 0 237.347 0.611 20 0 BCADRP CC[NH+]1CCC(CNC(=O)CC2([NH3+])CC2)CC1 ZINC000398154190 488212878 /nfs/dbraw/zinc/21/28/78/488212878.db2.gz TYJNNOGMXGSOAY-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655505414 490106757 /nfs/dbraw/zinc/10/67/57/490106757.db2.gz ZCKXUVATORVTCL-ZETCQYMHSA-N 2 0 241.257 0.380 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C(C)(C)O ZINC000382862346 490138762 /nfs/dbraw/zinc/13/87/62/490138762.db2.gz MVHZEWNSAJOUDN-RYUDHWBXSA-N 2 0 246.395 0.779 20 0 BCADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000383552006 490163292 /nfs/dbraw/zinc/16/32/92/490163292.db2.gz XHAWNTGQFAVPRN-STQMWFEESA-N 2 0 234.347 0.981 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662923783 490208243 /nfs/dbraw/zinc/20/82/43/490208243.db2.gz RIECKGZMLVCBGT-RUETXSTFSA-N 2 0 237.347 0.243 20 0 BCADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCOC2)CC1 ZINC000070463830 490215825 /nfs/dbraw/zinc/21/58/25/490215825.db2.gz YSGJJOKHBKLSFL-ZDUSSCGKSA-N 2 0 241.379 0.393 20 0 BCADRP C[C@@H](C(=O)NCC[N@H+](C)C1CC1)[NH+](C)C ZINC000078695174 490217952 /nfs/dbraw/zinc/21/79/52/490217952.db2.gz ZUFIRHNXIKSCAJ-VIFPVBQESA-N 2 0 213.325 0.147 20 0 BCADRP COC[C@H](O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000070589919 490224184 /nfs/dbraw/zinc/22/41/84/490224184.db2.gz HZJWVKYYRNFYMD-ZYHUDNBSSA-N 2 0 230.352 0.314 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)[NH+](C)C ZINC000078741651 490225237 /nfs/dbraw/zinc/22/52/37/490225237.db2.gz IBXDJKARJALXLI-ZJUUUORDSA-N 2 0 215.341 0.393 20 0 BCADRP CC(C)(O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000071382172 490261941 /nfs/dbraw/zinc/26/19/41/490261941.db2.gz CSMYDAJPYGLZIX-UHFFFAOYSA-N 2 0 235.331 0.975 20 0 BCADRP C[C@@H](CC(=O)N1CC[C@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000152364634 490308992 /nfs/dbraw/zinc/30/89/92/490308992.db2.gz KLFTYWYAYAKFCW-SRVKXCTJSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000584242200 490313063 /nfs/dbraw/zinc/31/30/63/490313063.db2.gz KVWZBSLIDLFEIX-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP Nc1cccc(C[NH2+]C[C@]23C[C@H]2C[NH2+]C3)c1 ZINC000663499289 490451042 /nfs/dbraw/zinc/45/10/42/490451042.db2.gz VPSIIJQFXCPSTE-AAEUAGOBSA-N 2 0 217.316 0.968 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000659305189 491078032 /nfs/dbraw/zinc/07/80/32/491078032.db2.gz FMTZSGZVUDLZLT-UWVGGRQHSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C[NH2+]C ZINC000379459446 491089103 /nfs/dbraw/zinc/08/91/03/491089103.db2.gz QUARWZKXZPLYBH-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP CN(C)C(=O)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660652323 491103532 /nfs/dbraw/zinc/10/35/32/491103532.db2.gz IREDNRJRVAXPJD-CYBMUJFWSA-N 2 0 239.363 0.492 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCN2CCCC2)C1 ZINC000086402301 491123837 /nfs/dbraw/zinc/12/38/37/491123837.db2.gz HRZZKTIHSNFAQZ-RYUDHWBXSA-N 2 0 211.353 0.942 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCN2CCCC2)C1 ZINC000086402299 491123851 /nfs/dbraw/zinc/12/38/51/491123851.db2.gz HRZZKTIHSNFAQZ-NWDGAFQWSA-N 2 0 211.353 0.942 20 0 BCADRP CC(C)([NH3+])CCC(=O)NCCC1(C[NH3+])CC1 ZINC000653216391 491128419 /nfs/dbraw/zinc/12/84/19/491128419.db2.gz XEEVMAOGHMMVDC-UHFFFAOYSA-N 2 0 227.352 0.749 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559740 491128798 /nfs/dbraw/zinc/12/87/98/491128798.db2.gz DAGZUZYRQNQLFB-RKDXNWHRSA-N 2 0 201.314 0.180 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559670 491128810 /nfs/dbraw/zinc/12/88/10/491128810.db2.gz PDCUADPFJUCYSO-VHSXEESVSA-N 2 0 215.341 0.426 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559753 491128813 /nfs/dbraw/zinc/12/88/13/491128813.db2.gz HDBZAVPNBOKPGX-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP C[C@H](NCC[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000400674413 533857344 /nfs/dbraw/zinc/85/73/44/533857344.db2.gz VGOVPHBXTGKIBL-NWDGAFQWSA-N 2 0 211.353 0.812 20 0 BCADRP COC(=O)N1CC([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000496500061 533935585 /nfs/dbraw/zinc/93/55/85/533935585.db2.gz VGGZSNCWVIJPNF-SCZZXKLOSA-N 2 0 227.308 0.154 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494643298 534091439 /nfs/dbraw/zinc/09/14/39/534091439.db2.gz PKUPZSKWNVDLOO-IJLUTSLNSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CCCC[C@H]2C(N)=O)CC1 ZINC000891489098 582692045 /nfs/dbraw/zinc/69/20/45/582692045.db2.gz DYYUXWONLLIWIY-LBPRGKRZSA-N 2 0 239.363 0.668 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000348340615 535836180 /nfs/dbraw/zinc/83/61/80/535836180.db2.gz PODOVXLZSYTSSY-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1(C)C ZINC000892002261 582758672 /nfs/dbraw/zinc/75/86/72/582758672.db2.gz NBCNYUWIMHQNQA-SNVBAGLBSA-N 2 0 240.351 0.084 20 0 BCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000494563432 534302905 /nfs/dbraw/zinc/30/29/05/534302905.db2.gz HWDNMPNMPVKIIN-GRYCIOLGSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000892044646 582770916 /nfs/dbraw/zinc/77/09/16/582770916.db2.gz LRMSHZGEBGJAQU-WDEREUQCSA-N 2 0 242.367 0.494 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000892040380 582770202 /nfs/dbraw/zinc/77/02/02/582770202.db2.gz LVNPLUBZZJRGQA-GARJFASQSA-N 2 0 242.367 0.635 20 0 BCADRP C[C@H]1CCCN(C(=O)CCC[NH3+])[C@@H]1C[NH3+] ZINC000237573041 518184121 /nfs/dbraw/zinc/18/41/21/518184121.db2.gz JGXOYDOZQGBHEN-VHSXEESVSA-N 2 0 213.325 0.311 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)NCC2C[NH2+]C2)C1 ZINC000892047566 582772554 /nfs/dbraw/zinc/77/25/54/582772554.db2.gz YQVBVHCUOQFJFI-NSHDSACASA-N 2 0 240.351 0.119 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000892052690 582775885 /nfs/dbraw/zinc/77/58/85/582775885.db2.gz DYVVAAWPEYBEKA-UTLUCORTSA-N 2 0 228.340 0.293 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000892052712 582775894 /nfs/dbraw/zinc/77/58/94/582775894.db2.gz FJLJIONLJVKGQK-CKYFFXLPSA-N 2 0 240.351 0.308 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892091241 582789028 /nfs/dbraw/zinc/78/90/28/582789028.db2.gz DHOGGEMRKGTRCC-XWLWVQCSSA-N 2 0 240.351 0.021 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892142149 582799212 /nfs/dbraw/zinc/79/92/12/582799212.db2.gz LQAXWIVVEBXHLD-XWLWVQCSSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000892198472 582807467 /nfs/dbraw/zinc/80/74/67/582807467.db2.gz LWGOCPNJHOIXFA-MXWKQRLJSA-N 2 0 242.367 0.635 20 0 BCADRP CN1CCC([NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000335928316 536344001 /nfs/dbraw/zinc/34/40/01/536344001.db2.gz SSBZLXOTEFKPFF-LLVKDONJSA-N 2 0 239.363 0.727 20 0 BCADRP CCCCNC(=[NH2+])NCCNc1cc[nH+]cc1 ZINC000848995265 582820736 /nfs/dbraw/zinc/82/07/36/582820736.db2.gz NTYIOYSDQIKXKG-UHFFFAOYSA-N 2 0 235.335 0.829 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH3+] ZINC000347654726 534901844 /nfs/dbraw/zinc/90/18/44/534901844.db2.gz MHGYICLONDAWNK-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP C[NH2+]CCC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000262335006 536444746 /nfs/dbraw/zinc/44/47/46/536444746.db2.gz HDQCGLWQPYEMKQ-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000178867131 536462239 /nfs/dbraw/zinc/46/22/39/536462239.db2.gz GXZMZFMCLFEAIP-HBNTYKKESA-N 2 0 239.363 0.583 20 0 BCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH3+])C1 ZINC000335657951 536473489 /nfs/dbraw/zinc/47/34/89/536473489.db2.gz PRIQPZFNDXQOKK-VXGBXAGGSA-N 2 0 239.363 0.668 20 0 BCADRP COCCOCC[N@H+](C)C1CC([NH3+])C1 ZINC000261528838 536494044 /nfs/dbraw/zinc/49/40/44/536494044.db2.gz OKUZTQCOPAZUPJ-UHFFFAOYSA-N 2 0 202.298 0.071 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH3+] ZINC000494688340 528090080 /nfs/dbraw/zinc/09/00/80/528090080.db2.gz FETBZYAFPHUISW-LLVKDONJSA-N 2 0 229.368 0.962 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000494681297 528495414 /nfs/dbraw/zinc/49/54/14/528495414.db2.gz KLFUMUDNVRYOQQ-SDDRHHMPSA-N 2 0 241.379 0.911 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000494692931 528499258 /nfs/dbraw/zinc/49/92/58/528499258.db2.gz WGDRWWUYLKZHQC-HOSYDEDBSA-N 2 0 239.363 0.711 20 0 BCADRP CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)CCC[NH3+])C1 ZINC000497070994 529022358 /nfs/dbraw/zinc/02/23/58/529022358.db2.gz IJRKUEFQAFPVKO-QWRGUYRKSA-N 2 0 243.351 0.934 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000494649331 529249193 /nfs/dbraw/zinc/24/91/93/529249193.db2.gz MWSUXVFTWSHXQA-AXFHLTTASA-N 2 0 229.368 0.994 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000261976795 534932880 /nfs/dbraw/zinc/93/28/80/534932880.db2.gz NUONDBGGBRKACW-LLVKDONJSA-N 2 0 241.379 0.867 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342746015 535049572 /nfs/dbraw/zinc/04/95/72/535049572.db2.gz VEVLQBVWECOOAC-GXFFZTMASA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248563436 535051073 /nfs/dbraw/zinc/05/10/73/535051073.db2.gz BGPKDDGURFSVQU-MMWGEVLESA-N 2 0 225.336 0.165 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262459729 535058946 /nfs/dbraw/zinc/05/89/46/535058946.db2.gz VMYPYLRDGVJMSS-NEPJUHHUSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000335756226 535064278 /nfs/dbraw/zinc/06/42/78/535064278.db2.gz YBTCSYJZWGYHRV-NXEZZACHSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000335728852 535064397 /nfs/dbraw/zinc/06/43/97/535064397.db2.gz RVVCFNRPMIDKNG-UWVGGRQHSA-N 2 0 225.336 0.039 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000335728853 535064988 /nfs/dbraw/zinc/06/49/88/535064988.db2.gz RVVCFNRPMIDKNG-VHSXEESVSA-N 2 0 225.336 0.039 20 0 BCADRP CC1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)COC1 ZINC000087197494 535151792 /nfs/dbraw/zinc/15/17/92/535151792.db2.gz PLYWJOZUYRLRPF-LLVKDONJSA-N 2 0 228.336 0.069 20 0 BCADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(N)=O ZINC000300415507 535153975 /nfs/dbraw/zinc/15/39/75/535153975.db2.gz VNIVRVVQKYSUAU-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262674831 535196207 /nfs/dbraw/zinc/19/62/07/535196207.db2.gz RDVMESVNNBLHAG-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000334965469 535296633 /nfs/dbraw/zinc/29/66/33/535296633.db2.gz CSBIGFRBTGNEIK-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CC[C@H](C)[NH3+] ZINC000262721033 535331149 /nfs/dbraw/zinc/33/11/49/535331149.db2.gz FSMMXBNQJLHTAW-CMPLNLGQSA-N 2 0 229.368 0.994 20 0 BCADRP CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216101 535406590 /nfs/dbraw/zinc/40/65/90/535406590.db2.gz HNTZFDZMTXUWRW-HBNTYKKESA-N 2 0 227.352 0.618 20 0 BCADRP CC[NH2+]CC1CC[NH+](CCn2cncn2)CC1 ZINC000261565079 535457766 /nfs/dbraw/zinc/45/77/66/535457766.db2.gz YERBEWQGXZVTHO-UHFFFAOYSA-N 2 0 237.351 0.600 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@@H]1CC ZINC000261548926 535475132 /nfs/dbraw/zinc/47/51/32/535475132.db2.gz OCFKYCMQGHVEDT-VHSXEESVSA-N 2 0 213.325 0.100 20 0 BCADRP CC[NH2+]CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262277155 535475764 /nfs/dbraw/zinc/47/57/64/535475764.db2.gz WPQBXFBXZGZVAU-WCQYABFASA-N 2 0 239.363 0.492 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000262049708 535523428 /nfs/dbraw/zinc/52/34/28/535523428.db2.gz QDJDQJVXEGKKPI-CMPLNLGQSA-N 2 0 227.352 0.714 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000261550226 535529102 /nfs/dbraw/zinc/52/91/02/535529102.db2.gz PKRRFVQVBMIXLM-GXSJLCMTSA-N 2 0 213.325 0.372 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000335957374 535534937 /nfs/dbraw/zinc/53/49/37/535534937.db2.gz BVEKVPGOWGMCNT-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C[NH3+])C(C)C ZINC000250395337 535565134 /nfs/dbraw/zinc/56/51/34/535565134.db2.gz YNAYMAZDMGLJSQ-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)CC[C@@H](C)[NH3+] ZINC000069840097 535571583 /nfs/dbraw/zinc/57/15/83/535571583.db2.gz VBHWHSHVJLRWTL-GHMZBOCLSA-N 2 0 229.368 0.960 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C[NH2+]CCOC ZINC000092509843 535573622 /nfs/dbraw/zinc/57/36/22/535573622.db2.gz UVLDGUNACRJIBV-LLVKDONJSA-N 2 0 245.367 0.069 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(N)=O ZINC000080565275 535595145 /nfs/dbraw/zinc/59/51/45/535595145.db2.gz MUIVOPMODRBKAN-NSHDSACASA-N 2 0 242.367 0.413 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C2C[NH2+]C2)C1 ZINC000262152920 535595270 /nfs/dbraw/zinc/59/52/70/535595270.db2.gz AANYBSZJSLUXSY-LLVKDONJSA-N 2 0 239.363 0.396 20 0 BCADRP CC[C@@H](COC)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000079707060 535761486 /nfs/dbraw/zinc/76/14/86/535761486.db2.gz PTHHQPFGEDCKCT-ZDUSSCGKSA-N 2 0 243.395 0.639 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CCCO)[C@@H](C)C1 ZINC000221702634 535768281 /nfs/dbraw/zinc/76/82/81/535768281.db2.gz UWJLOANLYIIQCE-QWRGUYRKSA-N 2 0 200.326 0.689 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CCC[NH2+]1 ZINC000262780810 535881679 /nfs/dbraw/zinc/88/16/79/535881679.db2.gz MDDQIKMODLIJFD-NQBHXWOUSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000342664160 535887081 /nfs/dbraw/zinc/88/70/81/535887081.db2.gz OXWSKMJKXFICEN-JTQLQIEISA-N 2 0 240.351 0.084 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342606391 535953040 /nfs/dbraw/zinc/95/30/40/535953040.db2.gz LOWUMPTZVVQZEC-GVXVVHGQSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](C)C[NH2+]C ZINC000237041954 535954125 /nfs/dbraw/zinc/95/41/25/535954125.db2.gz KQJBUGZYMYKUAD-UTLUCORTSA-N 2 0 215.341 0.332 20 0 BCADRP C[NH+](C)C[C@H](O)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250344394 535954412 /nfs/dbraw/zinc/95/44/12/535954412.db2.gz FHYHZIZHPBDJHO-RWMBFGLXSA-N 2 0 241.379 0.125 20 0 BCADRP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@@H]1CCCOC1 ZINC000224913363 535973898 /nfs/dbraw/zinc/97/38/98/535973898.db2.gz ULNCFQYYTCOLNZ-NWDGAFQWSA-N 2 0 230.352 0.315 20 0 BCADRP CC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251102220 535994605 /nfs/dbraw/zinc/99/46/05/535994605.db2.gz RNIOBQQSIHGYID-SRVKXCTJSA-N 2 0 212.337 0.974 20 0 BCADRP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000335344709 536042077 /nfs/dbraw/zinc/04/20/77/536042077.db2.gz KIKBPWVPMIYXOV-GFCCVEGCSA-N 2 0 247.342 0.921 20 0 BCADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](C)C1 ZINC000335675449 536063734 /nfs/dbraw/zinc/06/37/34/536063734.db2.gz ANRYJVWTNNMPOG-NWDGAFQWSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@H](COC)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000079707067 536121048 /nfs/dbraw/zinc/12/10/48/536121048.db2.gz PTHHQPFGEDCKCT-CYBMUJFWSA-N 2 0 243.395 0.639 20 0 BCADRP C[NH2+][C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261549702 536362147 /nfs/dbraw/zinc/36/21/47/536362147.db2.gz PBJJQJXAPNPTNP-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]([NH3+])C1 ZINC000334921140 536372398 /nfs/dbraw/zinc/37/23/98/536372398.db2.gz CPWZPUGBSKHNME-WDEREUQCSA-N 2 0 240.351 0.213 20 0 BCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH3+])CC[C@H]21 ZINC000167532379 536376648 /nfs/dbraw/zinc/37/66/48/536376648.db2.gz AOQZKPSHHJVBRD-GHMZBOCLSA-N 2 0 239.363 0.666 20 0 BCADRP C[N@H+](CCNC1=[NH+]CCCN1)C1CCCC1 ZINC000262473627 536386978 /nfs/dbraw/zinc/38/69/78/536386978.db2.gz YMTXMTPBKRIFMC-UHFFFAOYSA-N 2 0 224.352 0.800 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@](C)(O)C1 ZINC000179253052 536390074 /nfs/dbraw/zinc/39/00/74/536390074.db2.gz OJOGVSLPJXVTRZ-RYUDHWBXSA-N 2 0 212.337 0.927 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261541551 536391526 /nfs/dbraw/zinc/39/15/26/536391526.db2.gz BHQAISVPGMWZLQ-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000262744368 536461469 /nfs/dbraw/zinc/46/14/69/536461469.db2.gz JUKUNVNQYATPSX-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1CC[C@H](C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)O1 ZINC000251755048 538056008 /nfs/dbraw/zinc/05/60/08/538056008.db2.gz JXMXGRKMZQDVEH-DDHJBXDOSA-N 2 0 210.321 0.705 20 0 BCADRP C[NH2+]CC(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638552446 566387487 /nfs/dbraw/zinc/38/74/87/566387487.db2.gz ZOYXSOHTCVIZMF-UHFFFAOYSA-N 2 0 233.315 0.644 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCC(C)(C)[NH3+])C1 ZINC000892851191 582996219 /nfs/dbraw/zinc/99/62/19/582996219.db2.gz QRJCNKDYQDZGKL-VHSXEESVSA-N 2 0 242.367 0.493 20 0 BCADRP COC(=O)N(C)CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000854228421 588781062 /nfs/dbraw/zinc/78/10/62/588781062.db2.gz VXBQUJACCHZDBT-UHFFFAOYSA-N 2 0 243.351 0.792 20 0 BCADRP COC(=O)N(C)CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000854225875 588780671 /nfs/dbraw/zinc/78/06/71/588780671.db2.gz BBGYQUQPWIOEOD-MNOVXSKESA-N 2 0 243.351 0.662 20 0 BCADRP C[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)C1C[NH2+]C1 ZINC000854229809 588780879 /nfs/dbraw/zinc/78/08/79/588780879.db2.gz XQKVQJQORUKGKN-GDPRMGEGSA-N 2 0 246.301 0.998 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)Cc1ncc[nH]1 ZINC000854902938 588816208 /nfs/dbraw/zinc/81/62/08/588816208.db2.gz VZLHKFPAOQZTLA-UHFFFAOYSA-N 2 0 224.308 0.409 20 0 BCADRP CC1(C)C(=O)NCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000113211448 588827137 /nfs/dbraw/zinc/82/71/37/588827137.db2.gz LKOIHNQFGQLSNK-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)C[C@](C)(O)CNc1cc[nH+]c(CO)c1 ZINC000858456342 582461111 /nfs/dbraw/zinc/46/11/11/582461111.db2.gz GBXNRGHGZNEUNJ-GFCCVEGCSA-N 2 0 239.319 0.298 20 0 BCADRP C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)C1CC[NH2+]CC1 ZINC000868013295 582461252 /nfs/dbraw/zinc/46/12/52/582461252.db2.gz RCBGRGCOLHSCCS-UMNHJUIQSA-N 2 0 239.363 0.489 20 0 BCADRP C[NH2+]CCCNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000891962024 582748559 /nfs/dbraw/zinc/74/85/59/582748559.db2.gz DSSFLTOKJZKYRH-UHFFFAOYSA-N 2 0 242.367 0.332 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000891970030 582749757 /nfs/dbraw/zinc/74/97/57/582749757.db2.gz BPFLKTPFPDXZBK-MXWKQRLJSA-N 2 0 240.351 0.260 20 0 BCADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)NCC[NH3+])C1 ZINC000891975629 582751484 /nfs/dbraw/zinc/75/14/84/582751484.db2.gz DIPGLGISGHAQEW-GFCCVEGCSA-N 2 0 242.367 0.352 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000891979119 582751923 /nfs/dbraw/zinc/75/19/23/582751923.db2.gz KNWQBTFTTTXKIX-SNVBAGLBSA-N 2 0 242.367 0.413 20 0 BCADRP C[N@@H+]1CCN(C(=O)NCCC[NH3+])CC1(C)C ZINC000891986745 582753351 /nfs/dbraw/zinc/75/33/51/582753351.db2.gz UHVIJXVJJHDXRT-UHFFFAOYSA-N 2 0 228.340 0.071 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCCC[NH3+])CC[C@H]21 ZINC000891985787 582753859 /nfs/dbraw/zinc/75/38/59/582753859.db2.gz KBVLVSZMSZCTDT-GHMZBOCLSA-N 2 0 240.351 0.071 20 0 BCADRP OCc1c[nH+]ccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000892000884 582758193 /nfs/dbraw/zinc/75/81/93/582758193.db2.gz WDHQZEVOGRNNMF-LLVKDONJSA-N 2 0 233.315 0.644 20 0 BCADRP CCN(C(=O)NC[C@@H]([NH3+])C(C)C)[C@@H]1CC[NH2+]C1 ZINC000892021921 582763312 /nfs/dbraw/zinc/76/33/12/582763312.db2.gz NWJYNTXMTLQVRB-GHMZBOCLSA-N 2 0 242.367 0.363 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NCCC(C)(C)[NH3+] ZINC000892040912 582770172 /nfs/dbraw/zinc/77/01/72/582770172.db2.gz PAQKVIFOGPCGSY-JTQLQIEISA-N 2 0 244.383 0.931 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892057243 582776706 /nfs/dbraw/zinc/77/67/06/582776706.db2.gz XAIAPDILNXFAHW-MXWKQRLJSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N(C)CCCCCC[NH3+] ZINC000892054046 582777348 /nfs/dbraw/zinc/77/73/48/582777348.db2.gz PWSQAFNCTQCFJP-LLVKDONJSA-N 2 0 244.383 0.884 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000892061420 582780069 /nfs/dbraw/zinc/78/00/69/582780069.db2.gz HYJAFIFCKVSMHP-OUAUKWLOSA-N 2 0 240.351 0.069 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCC(C)(C)[NH3+] ZINC000892092549 582789629 /nfs/dbraw/zinc/78/96/29/582789629.db2.gz QXSUPKFUBSMEHX-ZJUUUORDSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892142252 582800238 /nfs/dbraw/zinc/80/02/38/582800238.db2.gz MUBBVYSWZQSWCH-XTQFYOIMSA-N 2 0 240.351 0.387 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000892144132 582800665 /nfs/dbraw/zinc/80/06/65/582800665.db2.gz HXIMZERWRDGTIR-BBBLOLIVSA-N 2 0 228.340 0.245 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892200025 582807446 /nfs/dbraw/zinc/80/74/46/582807446.db2.gz OYKMSEZYPGLWPF-XKNYDFJKSA-N 2 0 228.340 0.149 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCCCCCC[NH3+] ZINC000892208187 582807778 /nfs/dbraw/zinc/80/77/78/582807778.db2.gz OVLWUCUGWUVAEH-WDEREUQCSA-N 2 0 242.367 0.637 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC1([NH3+])CCCC1 ZINC000892249219 582813175 /nfs/dbraw/zinc/81/31/75/582813175.db2.gz NWEOIMGXYOWQOC-UWVGGRQHSA-N 2 0 240.351 0.389 20 0 BCADRP CN(C[C@H]1C[NH2+]CCO1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000125497821 582825197 /nfs/dbraw/zinc/82/51/97/582825197.db2.gz QRRVDIPLRQEWPH-CHWSQXEVSA-N 2 0 239.363 0.143 20 0 BCADRP CNC(=[NH2+])NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000849022465 582829177 /nfs/dbraw/zinc/82/91/77/582829177.db2.gz BRCMLOSDJCEZBN-SNVBAGLBSA-N 2 0 228.340 0.231 20 0 BCADRP CCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCCO ZINC000849034571 582835871 /nfs/dbraw/zinc/83/58/71/582835871.db2.gz YTMVSIPQSRJDMF-NSHDSACASA-N 2 0 242.367 0.357 20 0 BCADRP CC(C)(C[NH3+])NC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892436507 582886885 /nfs/dbraw/zinc/88/68/85/582886885.db2.gz QZAMJHOEHFYROL-MGCOHNPYSA-N 2 0 242.367 0.540 20 0 BCADRP C[NH+](C)CCNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892465247 582892981 /nfs/dbraw/zinc/89/29/81/582892981.db2.gz OBSMEKUMSOHEHZ-UHFFFAOYSA-N 2 0 240.351 0.213 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892546943 582909889 /nfs/dbraw/zinc/90/98/89/582909889.db2.gz OTSVPSSKDGUSPB-AXFHLTTASA-N 2 0 240.351 0.247 20 0 BCADRP CON(C)CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000850480344 582920166 /nfs/dbraw/zinc/92/01/66/582920166.db2.gz PYMNEKQLUSIJCZ-UHFFFAOYSA-N 2 0 241.379 0.944 20 0 BCADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)COCCOC)C1 ZINC000892612920 582929479 /nfs/dbraw/zinc/92/94/79/582929479.db2.gz GJWCHJKJCYGLPW-CHWSQXEVSA-N 2 0 244.379 0.969 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N1CCC(C)([NH3+])CC1 ZINC000892850718 582995890 /nfs/dbraw/zinc/99/58/90/582995890.db2.gz LJJBJTWVKIWMIO-UHFFFAOYSA-N 2 0 242.367 0.637 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)NCCC(C)(C)[NH3+] ZINC000892850047 582995936 /nfs/dbraw/zinc/99/59/36/582995936.db2.gz IFGIGKZLZZEKPH-UHFFFAOYSA-N 2 0 244.383 0.753 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)NCCC(C)(C)[NH3+])C1 ZINC000892851647 582996816 /nfs/dbraw/zinc/99/68/16/582996816.db2.gz WMXFKZNTDZXXTH-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000394608491 582996970 /nfs/dbraw/zinc/99/69/70/582996970.db2.gz RBRVVGJTQAATFE-JHJVBQTASA-N 2 0 242.363 0.600 20 0 BCADRP CCN(CC[NH3+])C(=O)N1CCC([NH3+])(CC)CC1 ZINC000892934747 583012409 /nfs/dbraw/zinc/01/24/09/583012409.db2.gz JYOZBNVDOKZSBS-UHFFFAOYSA-N 2 0 242.367 0.590 20 0 BCADRP C[NH+]1CCC(C[NH2+]CCNc2cnccn2)CC1 ZINC000893104606 583050264 /nfs/dbraw/zinc/05/02/64/583050264.db2.gz CQNFTLIMPVQZOX-UHFFFAOYSA-N 2 0 249.362 0.820 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000857106740 588888058 /nfs/dbraw/zinc/88/80/58/588888058.db2.gz YLLIGXJKMQUKNA-WDEREUQCSA-N 2 0 242.367 0.555 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000857106864 588888290 /nfs/dbraw/zinc/88/82/90/588888290.db2.gz CLUKLRZCRAIABQ-LPEHRKFASA-N 2 0 228.340 0.116 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NC(C)(C)C[NH+](C)C ZINC000857106895 588888323 /nfs/dbraw/zinc/88/83/23/588888323.db2.gz DHEGRBLEHCWKNB-VIFPVBQESA-N 2 0 230.356 0.363 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000857107129 588888335 /nfs/dbraw/zinc/88/83/35/588888335.db2.gz LRUYFCMXLBYXKG-VWYCJHECSA-N 2 0 242.367 0.350 20 0 BCADRP Cc1cc(N)nc(N2CC[C@]3(CC[N@@H+](C)C3)C2)[nH+]1 ZINC000893963965 583257487 /nfs/dbraw/zinc/25/74/87/583257487.db2.gz MHMFDLWJDZVPBG-ZDUSSCGKSA-N 2 0 247.346 0.899 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)NCC[C@H](C)[NH3+] ZINC000857107474 588888572 /nfs/dbraw/zinc/88/85/72/588888572.db2.gz WLNAPFHGCBEDOA-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)NCC[C@H](C)[NH3+] ZINC000857109350 588888972 /nfs/dbraw/zinc/88/89/72/588888972.db2.gz LYJVJKAYHCEVKL-NSHDSACASA-N 2 0 244.383 0.707 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@@]2(CCO)CCOC2)CC1 ZINC000894069822 583295563 /nfs/dbraw/zinc/29/55/63/583295563.db2.gz GZXYAJVFPARXIK-ZDUSSCGKSA-N 2 0 242.363 0.459 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877188126 583303542 /nfs/dbraw/zinc/30/35/42/583303542.db2.gz POJWSROMGKIHAL-YLXHPXFOSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000877243000 583304843 /nfs/dbraw/zinc/30/48/43/583304843.db2.gz KHTREEAJRYFYES-UKKRHICBSA-N 2 0 225.336 0.228 20 0 BCADRP C[NH+](C)C1(CNc2cc[nH+]cc2CO)CC1 ZINC000894231241 583384308 /nfs/dbraw/zinc/38/43/08/583384308.db2.gz LEBFFZFHBQNBST-UHFFFAOYSA-N 2 0 221.304 0.502 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000333684405 583417805 /nfs/dbraw/zinc/41/78/05/583417805.db2.gz ZYWDSDILPMBJMY-AXFHLTTASA-N 2 0 239.363 0.631 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638513788 583434662 /nfs/dbraw/zinc/43/46/62/583434662.db2.gz VQSHMDRIDLRLMW-JTQLQIEISA-N 2 0 213.325 0.278 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000841858116 583442812 /nfs/dbraw/zinc/44/28/12/583442812.db2.gz ZFWPGQXHAKPVMY-JLLWLGSASA-N 2 0 243.326 0.131 20 0 BCADRP C[C@@H]1CC(=O)NCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894491307 583472664 /nfs/dbraw/zinc/47/26/64/583472664.db2.gz FOLCDRXOVULSBH-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]1CC(=O)NCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894491308 583473129 /nfs/dbraw/zinc/47/31/29/583473129.db2.gz FOLCDRXOVULSBH-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP CNC(=O)C1C[NH+](CC2CC[NH+](C)CC2)C1 ZINC000894837061 583529194 /nfs/dbraw/zinc/52/91/94/583529194.db2.gz TUEGDYDORLJTHI-UHFFFAOYSA-N 2 0 225.336 0.006 20 0 BCADRP C[NH+]1CCC(C[NH+]2CC(C)(CO)C2)CC1 ZINC000894841844 583530759 /nfs/dbraw/zinc/53/07/59/583530759.db2.gz ZCNLWWXBUGQUIJ-UHFFFAOYSA-N 2 0 212.337 0.642 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000894866807 583537912 /nfs/dbraw/zinc/53/79/12/583537912.db2.gz DCTUOVHHWPCHDF-NWDGAFQWSA-N 2 0 228.336 0.332 20 0 BCADRP C[C@H](CC[NH2+][C@@H](C)Cn1cncn1)[NH+](C)C ZINC000895291627 583637001 /nfs/dbraw/zinc/63/70/01/583637001.db2.gz HDMOQVMVOKXEHP-WDEREUQCSA-N 2 0 225.340 0.596 20 0 BCADRP CO[C@H]1CN(CC2CC[NH+](C)CC2)CCO1 ZINC000895964513 583753832 /nfs/dbraw/zinc/75/38/32/583753832.db2.gz XKRIUALMUFDLIU-GFCCVEGCSA-N 2 0 228.336 0.633 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000896667629 583821753 /nfs/dbraw/zinc/82/17/53/583821753.db2.gz JOVSNKZHUWBVRA-SDDRHHMPSA-N 2 0 239.363 0.680 20 0 BCADRP Cc1cc(N)nc(N2C[C@H]3C[NH+](C)C[C@@]3(C)C2)[nH+]1 ZINC000896912383 583853583 /nfs/dbraw/zinc/85/35/83/583853583.db2.gz VVJQCSZJQIBJEO-MFKMUULPSA-N 2 0 247.346 0.755 20 0 BCADRP c1cnn(CC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000335002259 583878842 /nfs/dbraw/zinc/87/88/42/583878842.db2.gz YHAXTEUAHSLYSP-CYBMUJFWSA-N 2 0 234.347 0.959 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000870972582 583932667 /nfs/dbraw/zinc/93/26/67/583932667.db2.gz MFWZERMYAGARFW-XWLWVQCSSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC000897429480 583973072 /nfs/dbraw/zinc/97/30/72/583973072.db2.gz FEPKELZOLIZDEO-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@@H]2C[C@H]2C)C1 ZINC000864453306 584005505 /nfs/dbraw/zinc/00/55/05/584005505.db2.gz UNKZIPYRTDCPHD-GMTAPVOTSA-N 2 0 224.352 0.851 20 0 BCADRP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000897845447 584053859 /nfs/dbraw/zinc/05/38/59/584053859.db2.gz QJQISWSHBAUOTO-SDDRHHMPSA-N 2 0 239.363 0.632 20 0 BCADRP C[C@H]1CN(C)C[C@@H]1[NH2+]C1CC(CCO)C1 ZINC000898008816 584070959 /nfs/dbraw/zinc/07/09/59/584070959.db2.gz VVPDLKHXYICVID-XKGSQUFQSA-N 2 0 212.337 0.687 20 0 BCADRP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873252050 584128042 /nfs/dbraw/zinc/12/80/42/584128042.db2.gz OYRLQMWSJFQURL-LPEHRKFASA-N 2 0 234.365 0.137 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)N2CC([NH+]3CCCC3)C2)C1 ZINC000898611015 584146592 /nfs/dbraw/zinc/14/65/92/584146592.db2.gz QMZFRAAADIYINT-NSHDSACASA-N 2 0 237.347 0.245 20 0 BCADRP [NH3+]Cc1nccn1C[C@H]1CCCC[NH2+]C1 ZINC000899632994 584221709 /nfs/dbraw/zinc/22/17/09/584221709.db2.gz KKZNZTLFMHQTBS-JTQLQIEISA-N 2 0 208.309 0.732 20 0 BCADRP CC[NH2+]Cc1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899739950 584233718 /nfs/dbraw/zinc/23/37/18/584233718.db2.gz BTEVYNNXXZAHBF-LLVKDONJSA-N 2 0 237.351 0.777 20 0 BCADRP CC[NH2+]Cc1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000899739952 584234151 /nfs/dbraw/zinc/23/41/51/584234151.db2.gz BTEVYNNXXZAHBF-NSHDSACASA-N 2 0 237.351 0.777 20 0 BCADRP C[C@H]([NH3+])c1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899742469 584234357 /nfs/dbraw/zinc/23/43/57/584234357.db2.gz XXJJYLBJHXLDMX-VHSXEESVSA-N 2 0 223.324 0.688 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000899919608 584252327 /nfs/dbraw/zinc/25/23/27/584252327.db2.gz CGDFWKGFEPVINY-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH+](CC)CCCNC(=O)Cc1c[nH]cn1 ZINC000899932708 584257215 /nfs/dbraw/zinc/25/72/15/584257215.db2.gz WRINTXAZPQDXPL-UHFFFAOYSA-N 2 0 238.335 0.800 20 0 BCADRP C[NH2+][C@H](C)Cc1noc(CC(C)(C)C[NH3+])n1 ZINC000900010580 584265810 /nfs/dbraw/zinc/26/58/10/584265810.db2.gz UCQITLPRSSHPJV-MRVPVSSYSA-N 2 0 226.324 0.747 20 0 BCADRP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000900831620 584355116 /nfs/dbraw/zinc/35/51/16/584355116.db2.gz KCEDLNMJVPFPHL-TUAOUCFPSA-N 2 0 241.379 0.926 20 0 BCADRP COC[C@H](CCO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358317 584570776 /nfs/dbraw/zinc/57/07/76/584570776.db2.gz AHSCDBISGURVDX-RYUDHWBXSA-N 2 0 244.379 0.752 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@]2(O)CCOC2)C1 ZINC000902360587 584571484 /nfs/dbraw/zinc/57/14/84/584571484.db2.gz HIJGMZLUNRFROA-DGCLKSJQSA-N 2 0 242.363 0.506 20 0 BCADRP COC[C@H]([NH2+]CC1([NH3+])CC1)C1CCOCC1 ZINC000902406079 584574156 /nfs/dbraw/zinc/57/41/56/584574156.db2.gz KXMJEOSVGSLEBB-NSHDSACASA-N 2 0 228.336 0.509 20 0 BCADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000902409212 584575685 /nfs/dbraw/zinc/57/56/85/584575685.db2.gz JLHDVYZPUUKRMG-OUAUKWLOSA-N 3 0 209.337 0.455 20 0 BCADRP COC[C@@H](O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902383197 584576889 /nfs/dbraw/zinc/57/68/89/584576889.db2.gz CZCZNKOSSVGNSW-QWRGUYRKSA-N 2 0 230.352 0.362 20 0 BCADRP COC[C@@H](CO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902380575 584576915 /nfs/dbraw/zinc/57/69/15/584576915.db2.gz AUSMGACOPDAKIE-GHMZBOCLSA-N 2 0 230.352 0.362 20 0 BCADRP COC[C@@H](CO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902380583 584577038 /nfs/dbraw/zinc/57/70/38/584577038.db2.gz AUSMGACOPDAKIE-WDEREUQCSA-N 2 0 230.352 0.362 20 0 BCADRP CC[NH2+]CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902390308 584581110 /nfs/dbraw/zinc/58/11/10/584581110.db2.gz JPSOJSDTSYESEM-NSHDSACASA-N 2 0 213.369 0.964 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C1 ZINC000902397615 584585188 /nfs/dbraw/zinc/58/51/88/584585188.db2.gz NFVWQKDXLDLNNF-DCAQKATOSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH2+]C[C@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902398918 584585883 /nfs/dbraw/zinc/58/58/83/584585883.db2.gz LYIKISKLEISASZ-QWRGUYRKSA-N 2 0 213.369 0.962 20 0 BCADRP C[NH2+]C[C@@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902398917 584585922 /nfs/dbraw/zinc/58/59/22/584585922.db2.gz LYIKISKLEISASZ-MNOVXSKESA-N 2 0 213.369 0.962 20 0 BCADRP NOCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000902415415 584589616 /nfs/dbraw/zinc/58/96/16/584589616.db2.gz NOTVPLWVLDQECF-QJPTWQEYSA-N 2 0 227.352 0.777 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCON ZINC000902417692 584591304 /nfs/dbraw/zinc/59/13/04/584591304.db2.gz YQTHWKMJIDGLTP-ZJUUUORDSA-N 2 0 201.314 0.245 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000902446146 584593162 /nfs/dbraw/zinc/59/31/62/584593162.db2.gz SCUOLDOUJNRDOX-QWRGUYRKSA-N 2 0 223.364 0.859 20 0 BCADRP COC[C@@H](CCC[NH3+])N[C@H]1C[NH2+]CC1(C)C ZINC000902440827 584597007 /nfs/dbraw/zinc/59/70/07/584597007.db2.gz APBPXNRDBSSDRY-MNOVXSKESA-N 2 0 229.368 0.328 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902442031 584597647 /nfs/dbraw/zinc/59/76/47/584597647.db2.gz HFEKEIZZWZHGCN-AXFHLTTASA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]1COCC[C@H]1[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902441584 584597992 /nfs/dbraw/zinc/59/79/92/584597992.db2.gz FEPYIVSFPCNKOL-MXWKQRLJSA-N 2 0 212.337 0.999 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000902442594 584598191 /nfs/dbraw/zinc/59/81/91/584598191.db2.gz JQIPUBOLXVJVNR-MXWKQRLJSA-N 2 0 211.353 0.701 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474654 584602260 /nfs/dbraw/zinc/60/22/60/584602260.db2.gz HGLIZGVUWGEIHH-SZZQBSIJSA-N 2 0 235.375 0.952 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474655 584602352 /nfs/dbraw/zinc/60/23/52/584602352.db2.gz HGLIZGVUWGEIHH-TZNMXHEESA-N 2 0 235.375 0.952 20 0 BCADRP C[C@@H](N[C@@H]1C[NH2+]CC1(C)C)[C@H]1CCC[NH2+]1 ZINC000902447525 584604763 /nfs/dbraw/zinc/60/47/63/584604763.db2.gz YWOCETAANTVBSA-GMTAPVOTSA-N 2 0 211.353 0.715 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000902447254 584604849 /nfs/dbraw/zinc/60/48/49/584604849.db2.gz XOMKJMYJSBTVEL-RVMXOQNASA-N 3 0 237.391 0.962 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902449938 584606199 /nfs/dbraw/zinc/60/61/99/584606199.db2.gz AMQCIIXRNTWFRX-MNDZJOLHSA-N 2 0 210.321 0.878 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902451322 584606845 /nfs/dbraw/zinc/60/68/45/584606845.db2.gz WKKZGSJDROUPKC-OUAUKWLOSA-N 2 0 211.353 0.524 20 0 BCADRP C[C@H](NCC[N@@H+]1CCC(C)(C)C1)C1C[NH2+]C1 ZINC000902455106 584609505 /nfs/dbraw/zinc/60/95/05/584609505.db2.gz IVBLSBYTFKBULT-NSHDSACASA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902459096 584610883 /nfs/dbraw/zinc/61/08/83/584610883.db2.gz BCSLMKRCKRICPO-PREPNJAASA-N 2 0 209.337 0.609 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461730 584611237 /nfs/dbraw/zinc/61/12/37/584611237.db2.gz QJSIYTCAYOTOKK-KIJLLGNVSA-N 2 0 223.364 0.857 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902460311 584611414 /nfs/dbraw/zinc/61/14/14/584611414.db2.gz GQEAVMQYZNFKJJ-YBXAARCKSA-N 2 0 209.337 0.739 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902460596 584611482 /nfs/dbraw/zinc/61/14/82/584611482.db2.gz HLCMVSWISFISSM-KIJLLGNVSA-N 2 0 223.364 0.986 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461255 584611506 /nfs/dbraw/zinc/61/15/06/584611506.db2.gz NFKNZTYZHMWRSZ-PREPNJAASA-N 2 0 209.337 0.596 20 0 BCADRP C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1CCCC[NH2+]1 ZINC000902462646 584612316 /nfs/dbraw/zinc/61/23/16/584612316.db2.gz WTXUJTNNOVOKHJ-KIJLLGNVSA-N 2 0 223.364 1.000 20 0 BCADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)[NH2+]2 ZINC000902464923 584613173 /nfs/dbraw/zinc/61/31/73/584613173.db2.gz FNIHHBOLWDCDBK-BWAHJPICSA-N 2 0 235.375 0.998 20 0 BCADRP [NH3+][C@H]1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902465887 584614197 /nfs/dbraw/zinc/61/41/97/584614197.db2.gz GQEAVMQYZNFKJJ-HHHUOAJASA-N 2 0 209.337 0.739 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466813 584614305 /nfs/dbraw/zinc/61/43/05/584614305.db2.gz NFKNZTYZHMWRSZ-KZZRWZIVSA-N 2 0 209.337 0.596 20 0 BCADRP CC[NH+]1CCC(N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000902467296 584614834 /nfs/dbraw/zinc/61/48/34/584614834.db2.gz OZIBHERTDAIZGM-YNEHKIRRSA-N 2 0 223.364 0.953 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466815 584614913 /nfs/dbraw/zinc/61/49/13/584614913.db2.gz NFKNZTYZHMWRSZ-MTVMDMGHSA-N 2 0 209.337 0.596 20 0 BCADRP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902467637 584615018 /nfs/dbraw/zinc/61/50/18/584615018.db2.gz PXPGWJXIJJXXQR-PZWNZHSQSA-N 2 0 210.321 0.894 20 0 BCADRP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CCN1C ZINC000902490055 584617288 /nfs/dbraw/zinc/61/72/88/584617288.db2.gz RHZLXOBFOKWXMO-BJDJZHNGSA-N 2 0 211.353 0.796 20 0 BCADRP CC[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000902485874 584625505 /nfs/dbraw/zinc/62/55/05/584625505.db2.gz AMPHXGWPSAFFIW-KKOKHZNYSA-N 3 0 211.353 0.844 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000902487101 584625867 /nfs/dbraw/zinc/62/58/67/584625867.db2.gz IMIDJEYKZILYMQ-FIQHERPVSA-N 3 0 211.353 0.831 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1)[NH2+]2 ZINC000902487536 584626041 /nfs/dbraw/zinc/62/60/41/584626041.db2.gz JRMBEVVDXBYPRZ-LYUGOTMTSA-N 3 0 223.364 0.842 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000902487695 584626705 /nfs/dbraw/zinc/62/67/05/584626705.db2.gz LXKFYAZZQCZKSI-BJDJZHNGSA-N 3 0 211.353 0.973 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000902487702 584626997 /nfs/dbraw/zinc/62/69/97/584626997.db2.gz LXKFYAZZQCZKSI-KKOKHZNYSA-N 3 0 211.353 0.973 20 0 BCADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000902489543 584627535 /nfs/dbraw/zinc/62/75/35/584627535.db2.gz RBMJDPWAGKHHEM-KKOKHZNYSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@H](C[NH2+][C@@H]1CCO[C@]12CCOC2)C[NH+](C)C ZINC000903174919 584732820 /nfs/dbraw/zinc/73/28/20/584732820.db2.gz PCQOAVXWYSIPCX-UPJWGTAASA-N 2 0 242.363 0.722 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903426436 584760970 /nfs/dbraw/zinc/76/09/70/584760970.db2.gz IVUGKEHPXJYDLW-WHOHXGKFSA-N 2 0 227.352 0.162 20 0 BCADRP C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903425980 584761269 /nfs/dbraw/zinc/76/12/69/584761269.db2.gz DHTMBSJLNANQIV-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H](O)CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903439487 584762623 /nfs/dbraw/zinc/76/26/23/584762623.db2.gz IHBYPRUZSFUKNW-MXWKQRLJSA-N 2 0 200.326 0.545 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903421983 584763611 /nfs/dbraw/zinc/76/36/11/584763611.db2.gz SEZGGXFWWCXJPM-AGIUHOORSA-N 2 0 225.380 0.773 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1(C(N)=O)CCCCC1 ZINC000903441285 584763848 /nfs/dbraw/zinc/76/38/48/584763848.db2.gz LJICNEIOKRYEON-MNOVXSKESA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H]([NH3+])C1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903422836 584764362 /nfs/dbraw/zinc/76/43/62/584764362.db2.gz JSAARLMMWFNUFT-CMPLNLGQSA-N 2 0 211.353 0.798 20 0 BCADRP C[NH2+][C@H]1CCCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903422655 584764386 /nfs/dbraw/zinc/76/43/86/584764386.db2.gz HWFUVYNNTZWZOL-WOPDTQHZSA-N 2 0 211.353 0.526 20 0 BCADRP C[NH2+][C@@H]1CCCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903422654 584764490 /nfs/dbraw/zinc/76/44/90/584764490.db2.gz HWFUVYNNTZWZOL-GRYCIOLGSA-N 2 0 211.353 0.526 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903422427 584764723 /nfs/dbraw/zinc/76/47/23/584764723.db2.gz CHKWVWFQZYQSDP-UTUOFQBUSA-N 3 0 211.353 0.655 20 0 BCADRP C[NH2+]CC1CC[NH+]([C@H]2CCN(OC)C2=O)CC1 ZINC000903423044 584764823 /nfs/dbraw/zinc/76/48/23/584764823.db2.gz OJAUZZXMQQYANM-NSHDSACASA-N 2 0 241.335 0.080 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903424953 584765234 /nfs/dbraw/zinc/76/52/34/584765234.db2.gz NBWKDKAJRZJROT-SDDRHHMPSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903458464 584765478 /nfs/dbraw/zinc/76/54/78/584765478.db2.gz AMPDZNZLJBVROR-WOPDTQHZSA-N 2 0 222.336 0.717 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000903460111 584766551 /nfs/dbraw/zinc/76/65/51/584766551.db2.gz XLCBWBFIRDMNSP-WRWGMCAJSA-N 2 0 211.353 0.701 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903460844 584766665 /nfs/dbraw/zinc/76/66/65/584766665.db2.gz JTOPBZDNRNYUEG-WYUUTHIRSA-N 3 0 211.353 0.925 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000903464135 584767397 /nfs/dbraw/zinc/76/73/97/584767397.db2.gz AWLSJNFTNBENKY-YVECIDJPSA-N 3 0 223.364 0.655 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](Cn3ccnn3)C2)C1 ZINC000903464060 584767593 /nfs/dbraw/zinc/76/75/93/584767593.db2.gz YDQWCTZIJWQTTM-RWMBFGLXSA-N 2 0 249.362 0.727 20 0 BCADRP CN(C[C@@H]1CC[C@H]([NH3+])C1)[C@H](C[NH3+])C(F)(F)F ZINC000903464210 584767640 /nfs/dbraw/zinc/76/76/40/584767640.db2.gz DGDPWIMVJDGYBS-HRDYMLBCSA-N 2 0 239.285 0.935 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000903447192 584770448 /nfs/dbraw/zinc/77/04/48/584770448.db2.gz ITDYOUKGPXPKMM-OLZOCXBDSA-N 3 0 237.391 0.917 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903447597 584770730 /nfs/dbraw/zinc/77/07/30/584770730.db2.gz YWPWNWWFZAZTGY-WYUUTHIRSA-N 3 0 211.353 0.783 20 0 BCADRP c1cncc([C@@H]2C[NH2+]CCN2C[C@H]2CCC[NH2+]2)c1 ZINC000903449453 584771141 /nfs/dbraw/zinc/77/11/41/584771141.db2.gz BFQQLXUMKZNOQV-KGLIPLIRSA-N 2 0 246.358 0.780 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000903449857 584771182 /nfs/dbraw/zinc/77/11/82/584771182.db2.gz IWVNRENEQWVBSP-AGIUHOORSA-N 3 0 225.380 0.903 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000903449576 584771318 /nfs/dbraw/zinc/77/13/18/584771318.db2.gz VAYHKGPLXDBHLA-NEPJUHHUSA-N 2 0 209.337 0.424 20 0 BCADRP CC[C@H]1CN(C[C@H]2CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000903449464 584771547 /nfs/dbraw/zinc/77/15/47/584771547.db2.gz CBKUKIXLMGEBGZ-QJPTWQEYSA-N 2 0 211.353 0.798 20 0 BCADRP CON1CC[C@@H]([N@@H+]2CCC[C@H](CC[NH3+])C2)C1=O ZINC000903450316 584772049 /nfs/dbraw/zinc/77/20/49/584772049.db2.gz UDKYMXYGYXTGSF-GHMZBOCLSA-N 2 0 241.335 0.210 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C[C@H]1CCC[NH2+]1 ZINC000903452633 584772193 /nfs/dbraw/zinc/77/21/93/584772193.db2.gz OSHVOXAKASMDTL-VXGBXAGGSA-N 2 0 211.353 0.942 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)C1(C[NH3+])CCC1 ZINC000903453979 584772545 /nfs/dbraw/zinc/77/25/45/584772545.db2.gz QRGAXLWGHLNECN-MNOVXSKESA-N 2 0 211.353 0.655 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000903454120 584772615 /nfs/dbraw/zinc/77/26/15/584772615.db2.gz VINUUQBXFVHYJL-XQHKEYJVSA-N 2 0 223.364 0.668 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000903454130 584773451 /nfs/dbraw/zinc/77/34/51/584773451.db2.gz VNVVFAMUOQMCNW-KKOKHZNYSA-N 2 0 211.353 0.524 20 0 BCADRP COC[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000903456685 584774237 /nfs/dbraw/zinc/77/42/37/584774237.db2.gz IXWFPKSULUJNRC-FVCCEPFGSA-N 2 0 242.363 0.850 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](n3cncn3)C2)C1 ZINC000903457435 584774885 /nfs/dbraw/zinc/77/48/85/584774885.db2.gz SLUTXOQSVRECFT-TUAOUCFPSA-N 2 0 235.335 0.652 20 0 BCADRP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCOC1 ZINC000903470467 584774896 /nfs/dbraw/zinc/77/48/96/584774896.db2.gz LXJAGZSSPSFRTB-WDEREUQCSA-N 2 0 210.321 0.897 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000903475768 584776648 /nfs/dbraw/zinc/77/66/48/584776648.db2.gz CJYXQSDKJQRUSK-WOPDTQHZSA-N 2 0 226.364 0.935 20 0 BCADRP CCN(C[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000903481564 584777759 /nfs/dbraw/zinc/77/77/59/584777759.db2.gz GHWRDSUXZPOQBD-WOPDTQHZSA-N 2 0 211.353 0.526 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN(CC[NH3+])CC(F)(F)F ZINC000903482705 584778500 /nfs/dbraw/zinc/77/85/00/584778500.db2.gz PLAHCBGUHVKYHG-BDAKNGLRSA-N 2 0 239.285 0.665 20 0 BCADRP C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CC[NH2+]C1 ZINC000903465157 584779237 /nfs/dbraw/zinc/77/92/37/584779237.db2.gz DYTMKCQTULNAST-GHMZBOCLSA-N 2 0 209.337 0.470 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@H](F)CN2)C[C@H]1CC[NH3+] ZINC000903499316 584779989 /nfs/dbraw/zinc/77/99/89/584779989.db2.gz QZNLHXHZNKVISD-WYUUTHIRSA-N 2 0 229.343 0.603 20 0 BCADRP Cc1nc([C@H]2CC[N@H+](CCOCC[NH3+])C2)no1 ZINC000903490699 584781167 /nfs/dbraw/zinc/78/11/67/584781167.db2.gz DYMDVHGMWHIUEO-JTQLQIEISA-N 2 0 240.307 0.143 20 0 BCADRP CC(C)OC(=O)CCN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903557277 584783287 /nfs/dbraw/zinc/78/32/87/584783287.db2.gz MNNJUAJDROLKQZ-SNVBAGLBSA-N 2 0 228.336 0.997 20 0 BCADRP [NH3+]CCN1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903568339 584783456 /nfs/dbraw/zinc/78/34/56/584783456.db2.gz JYZJMMWMYUZNQN-VIFPVBQESA-N 2 0 223.295 0.722 20 0 BCADRP [NH3+]C1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903713432 584793425 /nfs/dbraw/zinc/79/34/25/584793425.db2.gz QFOROARBSZLXRV-OLZOCXBDSA-N 3 0 239.363 0.178 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903713640 584793427 /nfs/dbraw/zinc/79/34/27/584793427.db2.gz YLZXNIAFYFZMCF-JHJVBQTASA-N 2 0 239.363 0.049 20 0 BCADRP [NH3+]C1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903713434 584793707 /nfs/dbraw/zinc/79/37/07/584793707.db2.gz QFOROARBSZLXRV-STQMWFEESA-N 3 0 239.363 0.178 20 0 BCADRP [NH3+][C@H]1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903712858 584793787 /nfs/dbraw/zinc/79/37/87/584793787.db2.gz AIUNUQYWHIUKBO-RYUDHWBXSA-N 2 0 239.363 0.178 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCC(C[NH3+])CC1 ZINC000903712968 584793824 /nfs/dbraw/zinc/79/38/24/584793824.db2.gz CQULFEFJRKBOGS-NWDGAFQWSA-N 2 0 240.347 0.856 20 0 BCADRP C[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000903715991 584794234 /nfs/dbraw/zinc/79/42/34/584794234.db2.gz DSMHQPIXCQJTIA-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000903716193 584794405 /nfs/dbraw/zinc/79/44/05/584794405.db2.gz IUEMKZHMRCDOGL-GARJFASQSA-N 2 0 226.320 0.466 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC[C@H](O)C[NH+]1CCCC1 ZINC000903752406 584795376 /nfs/dbraw/zinc/79/53/76/584795376.db2.gz NSEDUXUGDNMSKG-NWDGAFQWSA-N 2 0 243.395 0.406 20 0 BCADRP C[C@@H]1CN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000903752699 584795565 /nfs/dbraw/zinc/79/55/65/584795565.db2.gz UGMJRCISYXXQQE-YVECIDJPSA-N 2 0 239.363 0.034 20 0 BCADRP C[NH2+]CCN(C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903751208 584795745 /nfs/dbraw/zinc/79/57/45/584795745.db2.gz FTHYSGJAVCYHFW-GFCCVEGCSA-N 2 0 241.379 0.296 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903752751 584796011 /nfs/dbraw/zinc/79/60/11/584796011.db2.gz WGKINCIQGUGJFB-RNJOBUHISA-N 2 0 239.363 0.177 20 0 BCADRP CC(C)(C)[C@H]([NH2+]C[C@@H]1CCCC[NH2+]C1)C(N)=O ZINC000903734355 584796251 /nfs/dbraw/zinc/79/62/51/584796251.db2.gz XXOHIKWFKOPXEH-GHMZBOCLSA-N 2 0 241.379 0.866 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000903763214 584797198 /nfs/dbraw/zinc/79/71/98/584797198.db2.gz INCXSWXBEPAWSJ-YYHQMBLXSA-N 2 0 240.347 0.650 20 0 BCADRP [NH3+][C@@H]1CN(C[C@H]2CCCC[NH2+]C2)CC[C@H]1F ZINC000903765459 584797290 /nfs/dbraw/zinc/79/72/90/584797290.db2.gz HMXQWHAVCAVIGJ-QJPTWQEYSA-N 2 0 229.343 0.747 20 0 BCADRP C[NH2+]CCCN(C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903760373 584797497 /nfs/dbraw/zinc/79/74/97/584797497.db2.gz GNDFRFKVLKKMJF-OLZOCXBDSA-N 2 0 241.379 0.296 20 0 BCADRP CN(C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)CC(C)(C)[NH3+] ZINC000903766881 584797543 /nfs/dbraw/zinc/79/75/43/584797543.db2.gz CLTDXQSJLCSQDT-WCQYABFASA-N 2 0 241.379 0.424 20 0 BCADRP C[C@@H]([NH3+])CN(C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903774920 584799242 /nfs/dbraw/zinc/79/92/42/584799242.db2.gz CECRWCRRDDOCIC-NEPJUHHUSA-N 2 0 241.379 0.424 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903778648 584799688 /nfs/dbraw/zinc/79/96/88/584799688.db2.gz QJQXIFQQOKQYIH-YVECIDJPSA-N 2 0 239.363 0.177 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C[C@H]1CCCC[NH2+]C1)C2 ZINC000903781875 584799881 /nfs/dbraw/zinc/79/98/81/584799881.db2.gz WNRCJDDQOSGQBC-MELADBBJSA-N 2 0 237.391 0.917 20 0 BCADRP OC[C@H]1CCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903785505 584800145 /nfs/dbraw/zinc/80/01/45/584800145.db2.gz ZOMZHRSFTHTGBK-JHJVBQTASA-N 2 0 240.347 0.212 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000903782332 584800216 /nfs/dbraw/zinc/80/02/16/584800216.db2.gz KWYOQXTULVXLES-UTUOFQBUSA-N 2 0 241.379 0.159 20 0 BCADRP [NH3+][C@H]1CCCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903786457 584800239 /nfs/dbraw/zinc/80/02/39/584800239.db2.gz JDJRVSMBLBLIFC-AVGNSLFASA-N 2 0 239.363 0.178 20 0 BCADRP [NH3+]C[C@H]1CCCN1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903784282 584800342 /nfs/dbraw/zinc/80/03/42/584800342.db2.gz MZMXWSCWHKSEAN-UPJWGTAASA-N 2 0 239.363 0.178 20 0 BCADRP [NH3+]C[C@H]1CCCN1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903784281 584800478 /nfs/dbraw/zinc/80/04/78/584800478.db2.gz MZMXWSCWHKSEAN-JHJVBQTASA-N 2 0 239.363 0.178 20 0 BCADRP [NH3+]C[C@]12CC[C@@H]1CCCN2C[C@@H]1CC[NH2+]C1 ZINC000903795605 584800559 /nfs/dbraw/zinc/80/05/59/584800559.db2.gz NSKUSAXQBCLQKX-FRRDWIJNSA-N 2 0 223.364 0.799 20 0 BCADRP [NH3+]C[C@]12CC[C@H]1CCCN2C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000903802345 584802073 /nfs/dbraw/zinc/80/20/73/584802073.db2.gz RYTXBOKXUIQLKT-MROQNXINSA-N 2 0 241.354 0.890 20 0 BCADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1(CN)CCOCC1 ZINC000903810061 584803231 /nfs/dbraw/zinc/80/32/31/584803231.db2.gz UEYFVIITOKVALK-NEPJUHHUSA-N 2 0 241.379 0.554 20 0 BCADRP C[N@@H+]1C[C@@H]2CN(C[C@@H]3C[C@H](F)C[NH2+]3)C[C@]2(C)C1 ZINC000903826557 584804935 /nfs/dbraw/zinc/80/49/35/584804935.db2.gz LUPKXTXZRRRRHL-VOAKCMCISA-N 2 0 241.354 0.570 20 0 BCADRP C[NH2+]CCC[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000903827862 584805152 /nfs/dbraw/zinc/80/51/52/584805152.db2.gz YYFKCFLAWSGGSS-JQWIXIFHSA-N 2 0 225.336 0.183 20 0 BCADRP CC[N@H+](CCC(=O)NC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903827779 584805160 /nfs/dbraw/zinc/80/51/60/584805160.db2.gz WXEWCTZHKPFHII-MNOVXSKESA-N 2 0 227.352 0.300 20 0 BCADRP O=C1CC[N@H+](C[C@H]2CC[NH2+]C2)CCCCCN1 ZINC000903830350 584805303 /nfs/dbraw/zinc/80/53/03/584805303.db2.gz ZQIRDUYWPMYLIE-LBPRGKRZSA-N 2 0 239.363 0.588 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2C[C@@H]3CCC[C@@H]3C2)C1 ZINC000903831159 584805452 /nfs/dbraw/zinc/80/54/52/584805452.db2.gz FZMAEZCREZXNCC-OSUNSFLBSA-N 2 0 210.321 0.569 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCOCC[C@@H]1C ZINC000903830930 584805836 /nfs/dbraw/zinc/80/58/36/584805836.db2.gz BNMZIZGWFURZPT-WOPDTQHZSA-N 2 0 212.337 0.953 20 0 BCADRP COCC[C@@H]1CNCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000903833412 584806244 /nfs/dbraw/zinc/80/62/44/584806244.db2.gz WAJOEQINVGHNAJ-CYBMUJFWSA-N 2 0 241.379 0.296 20 0 BCADRP COCC[C@@H]1CNCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903838495 584806769 /nfs/dbraw/zinc/80/67/69/584806769.db2.gz YMCWGFJTGFVEBW-QWHCGFSZSA-N 2 0 241.379 0.296 20 0 BCADRP O[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1F ZINC000903839225 584806944 /nfs/dbraw/zinc/80/69/44/584806944.db2.gz JCXZKJIBYOWDCH-GMTAPVOTSA-N 2 0 216.300 0.391 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)C1 ZINC000903838838 584807170 /nfs/dbraw/zinc/80/71/70/584807170.db2.gz FXDAFMNPMABEOO-ZRUFSTJUSA-N 2 0 216.300 0.519 20 0 BCADRP COCC[C@H]1C[NH2+]CCN1CCC[NH2+]C1CC1 ZINC000903838809 584807315 /nfs/dbraw/zinc/80/73/15/584807315.db2.gz FHNXHPQPWZTPSX-ZDUSSCGKSA-N 2 0 241.379 0.439 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC[NH2+]CC1)C2 ZINC000903843365 584807690 /nfs/dbraw/zinc/80/76/90/584807690.db2.gz JKWOURWODYQSKZ-XQQFMLRXSA-N 3 0 223.364 0.798 20 0 BCADRP C[C@@H]1CC=CC[C@H]1[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000903850048 584807879 /nfs/dbraw/zinc/80/78/79/584807879.db2.gz JGLOSIGGSJWCKY-LVEVGFFFSA-N 2 0 210.321 0.781 20 0 BCADRP [NH3+]C[C@@]12CC[C@H]1CCN2C[C@H]1CCC[NH2+]1 ZINC000903861446 584812170 /nfs/dbraw/zinc/81/21/70/584812170.db2.gz XFCZYOKBVSKCJE-TUAOUCFPSA-N 2 0 209.337 0.552 20 0 BCADRP CSC[C@H](O)CN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903864095 584813243 /nfs/dbraw/zinc/81/32/43/584813243.db2.gz RCVKNLTZWKNDHU-MXWKQRLJSA-N 2 0 230.377 0.524 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000903873016 584814988 /nfs/dbraw/zinc/81/49/88/584814988.db2.gz DCUGQNDNEIOTSM-WCBMZHEXSA-N 2 0 233.306 0.795 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CCC[C@]12CC[NH2+]C2 ZINC000903872442 584815202 /nfs/dbraw/zinc/81/52/02/584815202.db2.gz ZRWRCIRXELEROQ-VXGBXAGGSA-N 2 0 209.337 0.566 20 0 BCADRP [NH3+]CCc1ccc2c(c1)CCCN2CC[NH3+] ZINC000903872545 584815484 /nfs/dbraw/zinc/81/54/84/584815484.db2.gz ZXKCZPODAAHJMY-UHFFFAOYSA-N 2 0 219.332 0.899 20 0 BCADRP C[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)C[C@@H](C)[NH2+]1 ZINC000903874096 584815710 /nfs/dbraw/zinc/81/57/10/584815710.db2.gz SHVXLANBEGQZBF-HLTSFMKQSA-N 2 0 221.295 0.651 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903873287 584815868 /nfs/dbraw/zinc/81/58/68/584815868.db2.gz GIMZPSBMKDLOAO-ZJUUUORDSA-N 2 0 235.322 0.900 20 0 BCADRP C[NH2+][C@@H]1CCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903873631 584815887 /nfs/dbraw/zinc/81/58/87/584815887.db2.gz JVCXHYWVENCAHG-HTQZYQBOSA-N 2 0 207.268 0.263 20 0 BCADRP C[C@H]1CNCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903874044 584815919 /nfs/dbraw/zinc/81/59/19/584815919.db2.gz RBHJUDDZONOGLY-WODVXLOZSA-N 2 0 223.364 0.811 20 0 BCADRP CC1(C)C[NH2+]CCN1C[C@@H]([NH3+])CC(F)F ZINC000903873971 584815922 /nfs/dbraw/zinc/81/59/22/584815922.db2.gz PQKISRCXNKMGEU-QMMMGPOBSA-N 2 0 221.295 0.653 20 0 BCADRP CN(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000903873731 584816238 /nfs/dbraw/zinc/81/62/38/584816238.db2.gz LURAIENMJFIKHO-PSEXLTFBSA-N 2 0 223.364 0.811 20 0 BCADRP C[NH2+][C@@H]1CCCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903874289 584816246 /nfs/dbraw/zinc/81/62/46/584816246.db2.gz XHFFQMYHFAJGAB-RKDXNWHRSA-N 2 0 221.295 0.653 20 0 BCADRP CC[NH+](CC)CCCN1CC[NH2+]C[C@@H]1COC ZINC000903881256 584817988 /nfs/dbraw/zinc/81/79/88/584817988.db2.gz PNZNVNHTRIKXSM-CYBMUJFWSA-N 2 0 243.395 0.639 20 0 BCADRP OCC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903882741 584818385 /nfs/dbraw/zinc/81/83/85/584818385.db2.gz BDXJCBIMSLMIJN-YOGCLGLASA-N 2 0 224.348 0.974 20 0 BCADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C[C@H]([NH3+])CC(F)F ZINC000903915015 584818808 /nfs/dbraw/zinc/81/88/08/584818808.db2.gz XDLOHIZMAFBCKW-OPRDCNLKSA-N 2 0 235.322 0.993 20 0 BCADRP C[C@@H]1[C@H](C)N(C[C@@H]([NH3+])CC(F)F)CC[N@H+]1C ZINC000903915016 584818853 /nfs/dbraw/zinc/81/88/53/584818853.db2.gz XDLOHIZMAFBCKW-UTLUCORTSA-N 2 0 235.322 0.993 20 0 BCADRP C[C@H]1C[C@H](O)C[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903914776 584818932 /nfs/dbraw/zinc/81/89/32/584818932.db2.gz WDSBODRDOHHABI-ZZIFITQXSA-N 2 0 224.348 0.972 20 0 BCADRP C[C@@H]1[C@H](C)N(C[C@H]([NH3+])CC(F)F)CC[N@H+]1C ZINC000903915014 584819030 /nfs/dbraw/zinc/81/90/30/584819030.db2.gz XDLOHIZMAFBCKW-KXUCPTDWSA-N 2 0 235.322 0.993 20 0 BCADRP COC(=O)CC(C)(C)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903903144 584821274 /nfs/dbraw/zinc/82/12/74/584821274.db2.gz RXBBSQSGMXKTFO-SSDOTTSWSA-N 2 0 238.278 0.900 20 0 BCADRP CC[NH2+][C@H](C)CNC[C@@H]([NH3+])CC(F)F ZINC000903918731 584822606 /nfs/dbraw/zinc/82/26/06/584822606.db2.gz GJMYLBDRCDCMIM-SFYZADRCSA-N 2 0 209.284 0.557 20 0 BCADRP OCC1([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903921883 584822905 /nfs/dbraw/zinc/82/29/05/584822905.db2.gz SAYQASNKBBBNCQ-FGWVZKOKSA-N 2 0 210.321 0.632 20 0 BCADRP [NH3+][C@H](CNC[C@@H]1C[C@H](F)C[NH2+]1)CC(F)F ZINC000903920304 584823054 /nfs/dbraw/zinc/82/30/54/584823054.db2.gz SHUPLJWHKNKAME-FXQIFTODSA-N 2 0 225.258 0.259 20 0 BCADRP [NH3+][C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)CC(F)F ZINC000903920575 584823158 /nfs/dbraw/zinc/82/31/58/584823158.db2.gz WCNQDSCVLKORSP-VGMNWLOBSA-N 2 0 221.295 0.828 20 0 BCADRP C[C@@H](Cn1cccn1)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903923577 584823666 /nfs/dbraw/zinc/82/36/66/584823666.db2.gz XQLKIFGBAUEYQR-DTWKUNHWSA-N 2 0 232.278 0.844 20 0 BCADRP OCC1([NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903922440 584823893 /nfs/dbraw/zinc/82/38/93/584823893.db2.gz XLMWTIZWVYJMTP-UHFFFAOYSA-N 2 0 232.327 0.947 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN1CCC2(CC[NH2+]2)CC1 ZINC000903930501 584825207 /nfs/dbraw/zinc/82/52/07/584825207.db2.gz ZCFWOMDPYXMCNM-VIFPVBQESA-N 2 0 233.306 0.797 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]([NH3+])CC(F)F ZINC000903931230 584825219 /nfs/dbraw/zinc/82/52/19/584825219.db2.gz BCKWZWVBCYICJA-VGMNWLOBSA-N 2 0 221.295 0.781 20 0 BCADRP C([NH2+]C[C@@H]1COCCN1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903934675 584825439 /nfs/dbraw/zinc/82/54/39/584825439.db2.gz IGXVPBGOBMJNLW-PSEXLTFBSA-N 2 0 239.363 0.095 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@@H]([NH3+])CC(F)F)C2 ZINC000903935844 584825525 /nfs/dbraw/zinc/82/55/25/584825525.db2.gz ULMUZWYKLOSKJM-ZMLRMANQSA-N 2 0 247.333 0.900 20 0 BCADRP [NH3+]CCCOCC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903934417 584825710 /nfs/dbraw/zinc/82/57/10/584825710.db2.gz GTVZGXVPBFAJFA-YHWZYXNKSA-N 3 0 241.379 0.472 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C[C@H]([NH3+])CC(F)F)CC[C@@H]21 ZINC000903937404 584826123 /nfs/dbraw/zinc/82/61/23/584826123.db2.gz KEVAYWSPTZQGPA-MXWKQRLJSA-N 2 0 247.333 0.995 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C[C@@H]([NH3+])CC(F)F)C2 ZINC000903938056 584826360 /nfs/dbraw/zinc/82/63/60/584826360.db2.gz YOEVXFLJDILWRH-ATZCPNFKSA-N 2 0 233.306 0.510 20 0 BCADRP [NH3+][C@H](CN[C@]12CCC[C@@H]1[NH2+]CC2)CC(F)F ZINC000903937650 584826554 /nfs/dbraw/zinc/82/65/54/584826554.db2.gz OUDIDCBRHRBBHP-QXEWZRGKSA-N 2 0 233.306 0.843 20 0 BCADRP C[C@@H]([NH2+]C[C@@H](N)CC(F)F)C1CC[NH2+]CC1 ZINC000903937504 584826577 /nfs/dbraw/zinc/82/65/77/584826577.db2.gz MGMDZZFOIWASAY-SCZZXKLOSA-N 2 0 235.322 0.947 20 0 BCADRP NC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903917316 584826985 /nfs/dbraw/zinc/82/69/85/584826985.db2.gz LFYFMMNUFJHELS-CTEVKTCYSA-N 2 0 223.364 0.844 20 0 BCADRP C[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)[C@@H](C)C[NH2+]1 ZINC000903916179 584827086 /nfs/dbraw/zinc/82/70/86/584827086.db2.gz FSXGNJGQUZEAJQ-VGMNWLOBSA-N 2 0 221.295 0.651 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN1CC[NH2+]C[C@@H]1C(F)F ZINC000903916997 584827137 /nfs/dbraw/zinc/82/71/37/584827137.db2.gz JGSBYKRFTPUURN-NKWVEPMBSA-N 2 0 243.248 0.508 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1CC[NH2+]C[C@@H]1C(F)F ZINC000903916998 584827323 /nfs/dbraw/zinc/82/73/23/584827323.db2.gz JGSBYKRFTPUURN-RNFRBKRXSA-N 2 0 243.248 0.508 20 0 BCADRP FC1(F)CC[NH2+]C[C@H]1CN[C@H]1CC[NH2+]C1 ZINC000903956965 584827471 /nfs/dbraw/zinc/82/74/71/584827471.db2.gz OBLUIACKABWQBY-IUCAKERBSA-N 2 0 219.279 0.183 20 0 BCADRP CC(C)([NH3+])CN1CCc2sc(C[NH3+])nc2C1 ZINC000903942917 584828712 /nfs/dbraw/zinc/82/87/12/584828712.db2.gz XVZIFPYOAARWKV-UHFFFAOYSA-N 2 0 240.376 0.697 20 0 BCADRP CCS(=O)(=O)C[C@@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000903939737 584828730 /nfs/dbraw/zinc/82/87/30/584828730.db2.gz LDMYMNIWWLTGHC-SECBINFHSA-N 2 0 236.381 0.527 20 0 BCADRP C[N@H+](CCCF)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000903961673 584829009 /nfs/dbraw/zinc/82/90/09/584829009.db2.gz FAIXBCIIUURFQJ-NSHDSACASA-N 2 0 245.342 0.475 20 0 BCADRP CCC1([NH3+])CCN(CC2(C[NH3+])CC2)CC1 ZINC000903946599 584829366 /nfs/dbraw/zinc/82/93/66/584829366.db2.gz WPFPUBPHBPCAKJ-UHFFFAOYSA-N 2 0 211.353 0.929 20 0 BCADRP FC1(F)CC[NH2+]C[C@@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000903955872 584832057 /nfs/dbraw/zinc/83/20/57/584832057.db2.gz BOEGUWGUZBLTKJ-GHMZBOCLSA-N 2 0 247.333 0.963 20 0 BCADRP FC1(F)CC[NH2+]C[C@@H]1CNCC12CC(C1)C[NH2+]2 ZINC000903956110 584832129 /nfs/dbraw/zinc/83/21/29/584832129.db2.gz HABWQRTWRHZOTQ-HSOILSAZSA-N 2 0 245.317 0.573 20 0 BCADRP FC1(F)CC[NH2+]C[C@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000903955874 584832158 /nfs/dbraw/zinc/83/21/58/584832158.db2.gz BOEGUWGUZBLTKJ-QWRGUYRKSA-N 2 0 247.333 0.963 20 0 BCADRP C1C[C@H](N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C[NH2+]1 ZINC000903970138 584832671 /nfs/dbraw/zinc/83/26/71/584832671.db2.gz QUIGXPODBGGTKT-RYUDHWBXSA-N 2 0 239.363 0.097 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccnn1C ZINC000903974174 584832733 /nfs/dbraw/zinc/83/27/33/584832733.db2.gz KWQPWDSNMFJAIF-GHMZBOCLSA-N 2 0 222.336 0.755 20 0 BCADRP C[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)C[C@H]1CC[NH3+] ZINC000903978155 584833268 /nfs/dbraw/zinc/83/32/68/584833268.db2.gz HFZPQHVXNBNKQB-BBBLOLIVSA-N 2 0 235.322 0.886 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000903966720 584834473 /nfs/dbraw/zinc/83/44/73/584834473.db2.gz AIGYUHVBHPRRIR-KXNHARMFSA-N 2 0 211.353 0.701 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000903967698 584835185 /nfs/dbraw/zinc/83/51/85/584835185.db2.gz KXZYDDHUOXTUEC-IJLUTSLNSA-N 2 0 212.337 0.858 20 0 BCADRP CCOC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968449 584835220 /nfs/dbraw/zinc/83/52/20/584835220.db2.gz WOEXNCXVASPHIF-MXWKQRLJSA-N 2 0 200.326 0.857 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000904302061 584861867 /nfs/dbraw/zinc/86/18/67/584861867.db2.gz UNQOULOQJNUJCH-WISYIIOYSA-N 2 0 211.353 0.783 20 0 BCADRP CN1CCC([N@H+](CCO)C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904302473 584862079 /nfs/dbraw/zinc/86/20/79/584862079.db2.gz UQQLRQSFWRJPFI-TXEJJXNPSA-N 3 0 241.379 0.112 20 0 BCADRP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309202 584862507 /nfs/dbraw/zinc/86/25/07/584862507.db2.gz CSSFGVJXJMBWKS-DBIOUOCHSA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)C1 ZINC000904309282 584862577 /nfs/dbraw/zinc/86/25/77/584862577.db2.gz GKPRPEADCRDFOI-UMNHJUIQSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(CCO)CC2)C1 ZINC000904307871 584862742 /nfs/dbraw/zinc/86/27/42/584862742.db2.gz YAACXLXNZUYIKS-TXEJJXNPSA-N 2 0 212.337 0.818 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(c3cnccn3)CC2)C1 ZINC000904310281 584862778 /nfs/dbraw/zinc/86/27/78/584862778.db2.gz YWVYXBYOGDWPHU-TXEJJXNPSA-N 2 0 247.346 0.336 20 0 BCADRP COC(=O)[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904309286 584863023 /nfs/dbraw/zinc/86/30/23/584863023.db2.gz GNEZIPWLNYQCAB-LPEHRKFASA-N 2 0 212.293 0.219 20 0 BCADRP CC[N@@H+](CC(=O)N(C)C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904307421 584863054 /nfs/dbraw/zinc/86/30/54/584863054.db2.gz ACQWHMQZWHZZQI-AOOOYVTPSA-N 2 0 213.325 0.134 20 0 BCADRP NC(=O)C[C@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313784 584863240 /nfs/dbraw/zinc/86/32/40/584863240.db2.gz JZHWVSUBGMGTIP-OUAUKWLOSA-N 2 0 225.336 0.454 20 0 BCADRP COC(=O)[C@H](C)C[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312984 584863530 /nfs/dbraw/zinc/86/35/30/584863530.db2.gz VZBIZKPJDKACRA-BBBLOLIVSA-N 2 0 214.309 0.465 20 0 BCADRP COCCN(CC(F)F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904317877 584863950 /nfs/dbraw/zinc/86/39/50/584863950.db2.gz ZVPYQOOAPUZWOD-DTORHVGOSA-N 2 0 222.279 0.937 20 0 BCADRP CNC(=O)[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904321406 584864100 /nfs/dbraw/zinc/86/41/00/584864100.db2.gz YTZGAMWGOMXZEC-MXWKQRLJSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]([C@H](C)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1)S(C)(=O)=O ZINC000904321664 584864580 /nfs/dbraw/zinc/86/45/80/584864580.db2.gz BBKZXQOFSJCEKH-ZRUFSTJUSA-N 2 0 248.392 0.477 20 0 BCADRP CN1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C(C)(C)C1 ZINC000904321881 584864643 /nfs/dbraw/zinc/86/46/43/584864643.db2.gz JKWRAAYAWIWUPJ-PHIMTYICSA-N 2 0 211.353 0.750 20 0 BCADRP COCCOC[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325345 584865585 /nfs/dbraw/zinc/86/55/85/584865585.db2.gz XDBLYVLPHOOSIG-UPJWGTAASA-N 2 0 242.363 0.709 20 0 BCADRP COC[C@@](C)(CCO)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904328211 584865678 /nfs/dbraw/zinc/86/56/78/584865678.db2.gz BKBHQERNWHYBFI-OUAUKWLOSA-N 2 0 216.325 0.101 20 0 BCADRP C[C@@]1(CN2CCO[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904332941 584866874 /nfs/dbraw/zinc/86/68/74/584866874.db2.gz UNEQCNQCWXCYPY-VXGBXAGGSA-N 2 0 227.352 0.036 20 0 BCADRP CCN(CC(N)=O)C[C@]1(C)CCC[NH2+]C1 ZINC000904339990 584866925 /nfs/dbraw/zinc/86/69/25/584866925.db2.gz CKAUWQUSXJCUMB-LLVKDONJSA-N 2 0 213.325 0.183 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCOC[C@]23CCOC3)C1 ZINC000904345621 584868294 /nfs/dbraw/zinc/86/82/94/584868294.db2.gz GQMLVXATAQMEDP-GRYCIOLGSA-N 2 0 226.320 0.215 20 0 BCADRP C[C@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904346094 584868581 /nfs/dbraw/zinc/86/85/81/584868581.db2.gz QQGABUXYYPURLW-MXWKQRLJSA-N 2 0 241.379 0.959 20 0 BCADRP COCCC[N@H+](CCO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904346414 584868680 /nfs/dbraw/zinc/86/86/80/584868680.db2.gz UCLSQJKBRXWSHT-ZDUSSCGKSA-N 2 0 244.379 0.707 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)C1 ZINC000904345908 584868694 /nfs/dbraw/zinc/86/86/94/584868694.db2.gz LNECLYCEBPAJBO-GRYCIOLGSA-N 2 0 237.347 0.420 20 0 BCADRP C[C@@H]1CN(C[C@@]2(C)CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000904350612 584869056 /nfs/dbraw/zinc/86/90/56/584869056.db2.gz NYPPBZORGAKDQT-UTUOFQBUSA-N 2 0 211.353 0.655 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@](F)(CO)C2)C1 ZINC000904350391 584869071 /nfs/dbraw/zinc/86/90/71/584869071.db2.gz KIFIZQZKOMCTSB-AEJSXWLSSA-N 2 0 202.273 0.130 20 0 BCADRP C[C@@]1(CN2CC[C@@H]3C[NH2+]C[C@@H]32)CCC[NH2+]C1 ZINC000904349538 584869080 /nfs/dbraw/zinc/86/90/80/584869080.db2.gz ACDBVHFGDXOOKC-FRRDWIJNSA-N 2 0 223.364 0.670 20 0 BCADRP Nc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)nn1 ZINC000904350649 584869156 /nfs/dbraw/zinc/86/91/56/584869156.db2.gz ODJMZJPNNVFCLN-UHFFFAOYSA-N 2 0 247.346 0.634 20 0 BCADRP C[NH2+]CCC[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904353579 584869848 /nfs/dbraw/zinc/86/98/48/584869848.db2.gz NUWSXXJKJCYEEJ-UHFFFAOYSA-N 2 0 207.321 0.844 20 0 BCADRP C[C@H](C[NH3+])CNCc1nccn1C1CC1 ZINC000904353238 584869994 /nfs/dbraw/zinc/86/99/94/584869994.db2.gz JQASPYOHBAPZSW-SECBINFHSA-N 2 0 208.309 0.902 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000904354824 584870626 /nfs/dbraw/zinc/87/06/26/584870626.db2.gz HDSLJBBJIPTOCX-JHJVBQTASA-N 2 0 225.380 0.964 20 0 BCADRP C[C@@]1(CN[C@H](CC[NH3+])C(F)F)CCC[NH2+]C1 ZINC000904355117 584870706 /nfs/dbraw/zinc/87/07/06/584870706.db2.gz NVAALVUKBUTKTP-MWLCHTKSSA-N 2 0 235.322 0.948 20 0 BCADRP C[C@@]1(CNC[C@H]([NH3+])C2CC2)CCC[NH2+]C1 ZINC000904355726 584871142 /nfs/dbraw/zinc/87/11/42/584871142.db2.gz QWVHZJICDOGQCB-NWDGAFQWSA-N 2 0 211.353 0.703 20 0 BCADRP [NH3+]CCN1CCC(Nc2ccc(C[NH3+])cc2)CC1 ZINC000904356048 584871331 /nfs/dbraw/zinc/87/13/31/584871331.db2.gz SEGFXMYJKKNEGF-UHFFFAOYSA-N 2 0 248.374 0.980 20 0 BCADRP CN(C)C(=O)CC[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904359891 584871725 /nfs/dbraw/zinc/87/17/25/584871725.db2.gz GMSCBUXRRDDAHI-LBPRGKRZSA-N 2 0 227.352 0.444 20 0 BCADRP NC[C@@H]([NH2+]C1CC(C[NH3+])C1)C1CCCC1 ZINC000904359035 584871771 /nfs/dbraw/zinc/87/17/71/584871771.db2.gz WNXNMNKKUIHQPC-QEWOUOOISA-N 2 0 211.353 0.831 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H](C)N1CCOCC1 ZINC000904362240 584872001 /nfs/dbraw/zinc/87/20/01/584872001.db2.gz JXGAGUPVXKWIQS-ZDEQEGDKSA-N 2 0 241.379 0.423 20 0 BCADRP Cc1nn(C)c(C)c1C[NH2+]C1CC(C[NH3+])C1 ZINC000904361063 584872125 /nfs/dbraw/zinc/87/21/25/584872125.db2.gz UIEAOINEBKWQIB-UHFFFAOYSA-N 2 0 222.336 0.864 20 0 BCADRP [NH3+]CCN1CCC([NH2+][C@H]2CCCC[NH2+]C2)CC1 ZINC000904357957 584872271 /nfs/dbraw/zinc/87/22/71/584872271.db2.gz FSFWKRXBQOJNOC-ZDUSSCGKSA-N 3 0 240.395 0.141 20 0 BCADRP CN(C[C@H](O)C[NH3+])C[C@@H]([NH3+])CCC(C)(C)C ZINC000904358565 584872373 /nfs/dbraw/zinc/87/23/73/584872373.db2.gz PVGQTMMOAVPJNG-WDEREUQCSA-N 2 0 231.384 0.391 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000904368379 584872600 /nfs/dbraw/zinc/87/26/00/584872600.db2.gz QQWMXOAFSUHAMK-KXUCPTDWSA-N 2 0 223.320 0.077 20 0 BCADRP C[C@H]1CC[C@@H](C[NH2+]C2CCN(CC[NH3+])CC2)O1 ZINC000904372006 584873046 /nfs/dbraw/zinc/87/30/46/584873046.db2.gz VUUGQKSJVOFGEH-AAEUAGOBSA-N 2 0 241.379 0.567 20 0 BCADRP C[C@@H]1CC[C@H](C[NH2+]C2CCN(CC[NH3+])CC2)O1 ZINC000904372007 584873129 /nfs/dbraw/zinc/87/31/29/584873129.db2.gz VUUGQKSJVOFGEH-DGCLKSJQSA-N 2 0 241.379 0.567 20 0 BCADRP C[C@H]1CC[C@H](C[NH2+]C2CCN(CC[NH3+])CC2)O1 ZINC000904372008 584873380 /nfs/dbraw/zinc/87/33/80/584873380.db2.gz VUUGQKSJVOFGEH-WCQYABFASA-N 2 0 241.379 0.567 20 0 BCADRP C[C@@H]1[C@H](CO)CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904372746 584873837 /nfs/dbraw/zinc/87/38/37/584873837.db2.gz IDZQAZBULKWYLS-WYUUTHIRSA-N 2 0 212.337 0.817 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904374769 584874012 /nfs/dbraw/zinc/87/40/12/584874012.db2.gz WPZKZEXCGLVMJF-GHMZBOCLSA-N 3 0 228.384 0.125 20 0 BCADRP C[C@H]1[C@H](CO)CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904372743 584874036 /nfs/dbraw/zinc/87/40/36/584874036.db2.gz IDZQAZBULKWYLS-FIQHERPVSA-N 2 0 212.337 0.817 20 0 BCADRP COCC[NH2+]C1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904374157 584874128 /nfs/dbraw/zinc/87/41/28/584874128.db2.gz NYSWOOHRMUQTPK-TXEJJXNPSA-N 3 0 241.379 0.424 20 0 BCADRP C[C@@]1(C[NH2+]C2CCN(CC[NH3+])CC2)CCCO1 ZINC000904365886 584874838 /nfs/dbraw/zinc/87/48/38/584874838.db2.gz AYUUBRDZBSHQBB-ZDUSSCGKSA-N 2 0 241.379 0.568 20 0 BCADRP CC(C)([NH3+])CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000904391521 584875482 /nfs/dbraw/zinc/87/54/82/584875482.db2.gz HUBCSMKTBNPRMV-NSHDSACASA-N 2 0 241.379 0.554 20 0 BCADRP C[C@]1(CN[C@H](C[NH3+])C(F)(F)F)CCC[NH2+]C1 ZINC000904377400 584876168 /nfs/dbraw/zinc/87/61/68/584876168.db2.gz PWOXASOAWAGGCP-BDAKNGLRSA-N 2 0 239.285 0.855 20 0 BCADRP [NH3+]C[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)C(F)(F)F ZINC000904377485 584876441 /nfs/dbraw/zinc/87/64/41/584876441.db2.gz QRAUVSDBFHMABG-DSYKOEDSSA-N 2 0 211.231 0.203 20 0 BCADRP CC1(C)OC[C@@H]2C[C@@]21[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904381311 584876767 /nfs/dbraw/zinc/87/67/67/584876767.db2.gz UDUDCSSYGXBINX-UXCLJVHYSA-N 2 0 210.321 0.881 20 0 BCADRP C[C@@]1(CN2CC[C@@H](F)[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000904378837 584876773 /nfs/dbraw/zinc/87/67/73/584876773.db2.gz LZCVHYMIENTXMZ-IJLUTSLNSA-N 2 0 229.343 0.747 20 0 BCADRP C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1CO ZINC000904379936 584876923 /nfs/dbraw/zinc/87/69/23/584876923.db2.gz FWYVRZSDAFQASL-KKOKHZNYSA-N 2 0 212.337 0.674 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000904384693 584877221 /nfs/dbraw/zinc/87/72/21/584877221.db2.gz MEBUZRGPAKAOEN-KXNHARMFSA-N 3 0 209.337 0.598 20 0 BCADRP [NH3+]CC1CC([NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000904385151 584877878 /nfs/dbraw/zinc/87/78/78/584877878.db2.gz SWXLUAKYGSRJTQ-UARPKCRYSA-N 2 0 222.332 0.737 20 0 BCADRP Cc1nc([C@@H]2CC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)no1 ZINC000904388152 584877899 /nfs/dbraw/zinc/87/78/99/584877899.db2.gz FDKJXBKSYLOKNP-MXWKQRLJSA-N 2 0 236.319 0.905 20 0 BCADRP COC(=O)C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C ZINC000904388179 584878455 /nfs/dbraw/zinc/87/84/55/584878455.db2.gz FTPOZRQYROHOPY-KKOKHZNYSA-N 2 0 240.347 0.855 20 0 BCADRP CC(C)(C)[NH2+]CCN1CCC[C@@]([NH3+])(CO)C1 ZINC000904406574 584878620 /nfs/dbraw/zinc/87/86/20/584878620.db2.gz HGVRSUDEZHGLBX-LBPRGKRZSA-N 2 0 229.368 0.160 20 0 BCADRP Nc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)nn1 ZINC000904406249 584878698 /nfs/dbraw/zinc/87/86/98/584878698.db2.gz CZUTYGITZNQJOQ-SECBINFHSA-N 2 0 221.308 0.230 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCO[C@H]2C2CC2)C1 ZINC000904388195 584878701 /nfs/dbraw/zinc/87/87/01/584878701.db2.gz GAYJIIMHRLQOTQ-KLHWPWHYSA-N 2 0 210.321 0.881 20 0 BCADRP C[C@H]1C[N@H+](Cc2ccc(N)nn2)CC[C@@H]1C[NH3+] ZINC000904409588 584878813 /nfs/dbraw/zinc/87/88/13/584878813.db2.gz CWTRJHVOHLVTIE-VHSXEESVSA-N 2 0 235.335 0.476 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000904407594 584878934 /nfs/dbraw/zinc/87/89/34/584878934.db2.gz XDEZAWGLLQZOLC-GRYCIOLGSA-N 3 0 209.337 0.267 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cnc(N)cn2)CC[C@@H]1C[NH3+] ZINC000904409841 584879359 /nfs/dbraw/zinc/87/93/59/584879359.db2.gz JSIHHBJGDZLGKL-NXEZZACHSA-N 2 0 235.335 0.476 20 0 BCADRP C[C@@H]1CN(C[C@]23C[C@H]2C[NH2+]C3)C[C@H]1C[NH3+] ZINC000904419395 584881957 /nfs/dbraw/zinc/88/19/57/584881957.db2.gz UZAVMOWLAZTQDB-WISYIIOYSA-N 2 0 209.337 0.123 20 0 BCADRP C[C@H]1C[C@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[NH2+]1 ZINC000904420503 584881979 /nfs/dbraw/zinc/88/19/79/584881979.db2.gz QVLCJRVHZZFPTH-RFQIPJPRSA-N 3 0 237.391 0.916 20 0 BCADRP [NH3+]CC1(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000904420464 584882127 /nfs/dbraw/zinc/88/21/27/584882127.db2.gz PHRNRNLQOIMHRZ-WDEREUQCSA-N 3 0 209.337 0.267 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420719 584882134 /nfs/dbraw/zinc/88/21/34/584882134.db2.gz UTLCQWPHUPZABW-YNEHKIRRSA-N 2 0 225.380 0.901 20 0 BCADRP C(N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000904420672 584882387 /nfs/dbraw/zinc/88/23/87/584882387.db2.gz TUDQHKGFADKXLA-QNWHQSFQSA-N 2 0 221.348 0.137 20 0 BCADRP [NH3+]C1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876502249 584885576 /nfs/dbraw/zinc/88/55/76/584885576.db2.gz WXZYJMLBOVGZON-UFFNRZRYSA-N 2 0 237.347 0.492 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000876529667 584885865 /nfs/dbraw/zinc/88/58/65/584885865.db2.gz JQWHLOPQAFKAMZ-UBHAPETDSA-N 2 0 243.326 0.178 20 0 BCADRP C[C@@]1(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CCC[NH2+]1 ZINC000876985041 584888405 /nfs/dbraw/zinc/88/84/05/584888405.db2.gz MXQZNMZCSPIRMW-KGYLQXTDSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@@]1(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CCC[NH2+]1 ZINC000876985042 584888536 /nfs/dbraw/zinc/88/85/36/584888536.db2.gz MXQZNMZCSPIRMW-WCFLWFBJSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000877105612 584890064 /nfs/dbraw/zinc/89/00/64/584890064.db2.gz QFUIAANFUQNSTC-JMJZKYOTSA-N 2 0 225.336 0.323 20 0 BCADRP CC[C@@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)CC[C@@H]1[NH3+] ZINC000834648287 584914279 /nfs/dbraw/zinc/91/42/79/584914279.db2.gz ULBVAUUMRINHDD-USWWRNFRSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884292366 584948676 /nfs/dbraw/zinc/94/86/76/584948676.db2.gz XHTPFZJRKFIVAH-WDEREUQCSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@]1(C(=O)NC[C@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000215297089 584953435 /nfs/dbraw/zinc/95/34/35/584953435.db2.gz MWEUWSNVIVAGAM-CMPLNLGQSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(CC[NH+]2CCCC2)C1 ZINC000760841334 585398679 /nfs/dbraw/zinc/39/86/79/585398679.db2.gz UWSALYTWGKSPCG-ZDUSSCGKSA-N 2 0 225.380 0.966 20 0 BCADRP CC(C)[C@@H](C(=O)N1CCN(C)[C@H](C)C1)[NH+](C)C ZINC000769144824 585550125 /nfs/dbraw/zinc/55/01/25/585550125.db2.gz YBUJIBXACOOAIE-NEPJUHHUSA-N 2 0 241.379 0.735 20 0 BCADRP C[N@H+](CCF)CCCN1CC[NH+](C)CC1 ZINC000778951463 585742738 /nfs/dbraw/zinc/74/27/38/585742738.db2.gz RWLBUIBMJWFWGG-UHFFFAOYSA-N 2 0 217.332 0.525 20 0 BCADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)CCO)CC1 ZINC000779342035 585751923 /nfs/dbraw/zinc/75/19/23/585751923.db2.gz QHBTYSWWAPZYHG-QWHCGFSZSA-N 2 0 243.395 0.373 20 0 BCADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)CCO)CC1 ZINC000779385484 585753015 /nfs/dbraw/zinc/75/30/15/585753015.db2.gz FIWJJYTYAAUDKE-CYBMUJFWSA-N 2 0 243.395 0.375 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[NH+]1CCC[C@H]1C ZINC000783917356 585845653 /nfs/dbraw/zinc/84/56/53/585845653.db2.gz WAYOKZPQHXDZGM-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCN1CCCC1 ZINC000794577400 586045040 /nfs/dbraw/zinc/04/50/40/586045040.db2.gz QLGBIMAKBFAILN-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCN1CCCC1 ZINC000794577399 586045092 /nfs/dbraw/zinc/04/50/92/586045092.db2.gz QLGBIMAKBFAILN-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP COC(=O)[C@H]1[C@@H]2C[N@@H+](CCn3ccnc3C)C[C@@H]21 ZINC000794985808 586061656 /nfs/dbraw/zinc/06/16/56/586061656.db2.gz FZDAHLXQTQDZOJ-GDNZZTSVSA-N 2 0 249.314 0.542 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCN[C@H]1CCC[C@H]1[NH3+] ZINC000817914337 586831531 /nfs/dbraw/zinc/83/15/31/586831531.db2.gz VHZMJPJHHPUHOQ-UTUOFQBUSA-N 2 0 211.353 0.940 20 0 BCADRP CN1CC[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000817888523 586831795 /nfs/dbraw/zinc/83/17/95/586831795.db2.gz HGLLXMXHQMHZAD-TUAOUCFPSA-N 2 0 211.353 0.940 20 0 BCADRP C[C@@H](N[C@H]1CC[N@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000817890759 586833209 /nfs/dbraw/zinc/83/32/09/586833209.db2.gz YMMVWWHRWSOOEM-WOPDTQHZSA-N 2 0 211.353 0.811 20 0 BCADRP COC(=O)N1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])C1 ZINC000817902933 586836079 /nfs/dbraw/zinc/83/60/79/586836079.db2.gz BYBNKHJAZJCTBW-DCAQKATOSA-N 2 0 241.335 0.687 20 0 BCADRP COC(=O)N1CCC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000817903164 586836315 /nfs/dbraw/zinc/83/63/15/586836315.db2.gz JAQBJOKPDBHZAN-AXFHLTTASA-N 2 0 243.351 0.933 20 0 BCADRP CN(C(=O)[C@@H]1CCC[NH2+]1)C1CCC([NH3+])CC1 ZINC000818528683 586897719 /nfs/dbraw/zinc/89/77/19/586897719.db2.gz GNEXXGDSWVDYMM-ILDUYXDCSA-N 2 0 225.336 0.467 20 0 BCADRP CC[NH2+]CC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000818527313 586897989 /nfs/dbraw/zinc/89/79/89/586897989.db2.gz YHUKXZIQOOXLIS-SNVBAGLBSA-N 2 0 235.331 0.932 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818535003 586898217 /nfs/dbraw/zinc/89/82/17/586898217.db2.gz BCDIMLBRTMFSBU-GHMZBOCLSA-N 2 0 249.358 0.787 20 0 BCADRP CC[NH2+]CC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000818578161 586902742 /nfs/dbraw/zinc/90/27/42/586902742.db2.gz QAMMOIPIVPAWHT-UHFFFAOYSA-N 2 0 233.315 0.516 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818612956 586906590 /nfs/dbraw/zinc/90/65/90/586906590.db2.gz ZNKCIROWLZDPHC-JBLDHEPKSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)[C@H](C)[NH3+] ZINC000818612959 586906794 /nfs/dbraw/zinc/90/67/94/586906794.db2.gz ZNKCIROWLZDPHC-SCVCMEIPSA-N 2 0 225.336 0.324 20 0 BCADRP CC[NH+]1CCC([NH2+]CCC(=O)N(C)OC)CC1 ZINC000818941029 586916906 /nfs/dbraw/zinc/91/69/06/586916906.db2.gz OJWXXZOWKQSZRP-UHFFFAOYSA-N 2 0 243.351 0.470 20 0 BCADRP COCC[N@H+](C)CCC[NH2+]C[C@H](O)C1CC1 ZINC000818953276 586917396 /nfs/dbraw/zinc/91/73/96/586917396.db2.gz FHSLTMRGWIERLY-LBPRGKRZSA-N 2 0 230.352 0.315 20 0 BCADRP C[C@H](C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)[NH+](C)C ZINC000820621858 587059325 /nfs/dbraw/zinc/05/93/25/587059325.db2.gz RODHCUHCMHPTLQ-WOPDTQHZSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C[NH+]1CCCC1 ZINC000823160768 587206207 /nfs/dbraw/zinc/20/62/07/587206207.db2.gz JLLYKACJLBPUKN-VXGBXAGGSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)C[NH+]1CCCC1 ZINC000823160767 587206218 /nfs/dbraw/zinc/20/62/18/587206218.db2.gz JLLYKACJLBPUKN-RYUDHWBXSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)[NH+](C)C ZINC000827219983 587373389 /nfs/dbraw/zinc/37/33/89/587373389.db2.gz PYUZKCOZYUDOLQ-WOPDTQHZSA-N 2 0 239.363 0.489 20 0 BCADRP [NH3+][C@@H](CC(=O)NCCNc1cc[nH+]cc1)C1CC1 ZINC000827433691 587381341 /nfs/dbraw/zinc/38/13/41/587381341.db2.gz KKYZNGFELBNZLT-LBPRGKRZSA-N 2 0 248.330 0.159 20 0 BCADRP C[NH+](C)C[C@H]1CCN(CC[S@](C)=O)C1 ZINC000827919984 587409870 /nfs/dbraw/zinc/40/98/70/587409870.db2.gz RWNASUIBAJGPBJ-YGRLFVJLSA-N 2 0 218.366 0.248 20 0 BCADRP CC[N@H+](CCNC(=O)CC(C)(C)[NH3+])C(C)C ZINC000828318724 587434570 /nfs/dbraw/zinc/43/45/70/587434570.db2.gz VNKMIWUKUYDSCR-UHFFFAOYSA-N 2 0 229.368 0.960 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000830171727 587540104 /nfs/dbraw/zinc/54/01/04/587540104.db2.gz VKOCWGZBEGZLAW-LLVKDONJSA-N 2 0 231.315 0.192 20 0 BCADRP C[C@]1(NC(=O)NCCCCCC[NH3+])CC[NH2+]C1 ZINC000831119612 587586714 /nfs/dbraw/zinc/58/67/14/587586714.db2.gz NQONHQMDZDUXAU-LBPRGKRZSA-N 2 0 242.367 0.557 20 0 BCADRP C[NH2+]CCNC(=O)NCCCCCC[NH3+] ZINC000831178624 587589343 /nfs/dbraw/zinc/58/93/43/587589343.db2.gz UZRCSEYLIHQLII-UHFFFAOYSA-N 2 0 216.329 0.024 20 0 BCADRP [NH3+]CCCCCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000831178724 587589561 /nfs/dbraw/zinc/58/95/61/587589561.db2.gz XEOOIRRKCCGTID-JTQLQIEISA-N 2 0 228.340 0.167 20 0 BCADRP [NH3+]CCCCCCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000831291676 587596012 /nfs/dbraw/zinc/59/60/12/587596012.db2.gz PBTYQXRUMPMOAO-LLVKDONJSA-N 2 0 242.367 0.638 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CCCCC[NH3+] ZINC000831540222 587617612 /nfs/dbraw/zinc/61/76/12/587617612.db2.gz MHLIWCYDEFUQIY-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)[NH+]1CCCC1 ZINC000831822333 587633357 /nfs/dbraw/zinc/63/33/57/587633357.db2.gz FAVOMQNZJMNXSA-JQWIXIFHSA-N 2 0 243.326 0.289 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C[C@H]([NH3+])C1CC1)C1CC1 ZINC000831860126 587634668 /nfs/dbraw/zinc/63/46/68/587634668.db2.gz KSIJCMGYEZMJLY-NWDGAFQWSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C[C@@H]([NH3+])C1CC1)C1CC1 ZINC000831860123 587634859 /nfs/dbraw/zinc/63/48/59/587634859.db2.gz KSIJCMGYEZMJLY-NEPJUHHUSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000831971464 587640304 /nfs/dbraw/zinc/64/03/04/587640304.db2.gz XXJNZRAGARWUHD-ZYHUDNBSSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831970620 587640456 /nfs/dbraw/zinc/64/04/56/587640456.db2.gz JUKMDHLZUBUPPY-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000831971258 587640468 /nfs/dbraw/zinc/64/04/68/587640468.db2.gz UNMYJNKQLHVCDK-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000831970319 587640564 /nfs/dbraw/zinc/64/05/64/587640564.db2.gz CHQHUCVAGAHJDB-WCQYABFASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000831970624 587640671 /nfs/dbraw/zinc/64/06/71/587640671.db2.gz JUXRMFXUJVDMTC-CMPLNLGQSA-N 2 0 243.326 0.289 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831971476 587640729 /nfs/dbraw/zinc/64/07/29/587640729.db2.gz YLIAGCPZPZNXIH-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831971147 587640931 /nfs/dbraw/zinc/64/09/31/587640931.db2.gz STNYKUBLYKDOPP-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000831970625 587640942 /nfs/dbraw/zinc/64/09/42/587640942.db2.gz JUXRMFXUJVDMTC-JQWIXIFHSA-N 2 0 243.326 0.289 20 0 BCADRP [NH3+]Cc1cccc(C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000832316201 587654142 /nfs/dbraw/zinc/65/41/42/587654142.db2.gz IRXRHRGPGADKPB-UHFFFAOYSA-N 2 0 247.342 0.956 20 0 BCADRP C[NH2+]CCCNC(=O)c1cccc(C[NH3+])c1 ZINC000832373338 587656612 /nfs/dbraw/zinc/65/66/12/587656612.db2.gz PKYKKGSSVIJLRH-UHFFFAOYSA-N 2 0 221.304 0.485 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000832452464 587660789 /nfs/dbraw/zinc/66/07/89/587660789.db2.gz MZFVHBRAYJKOKP-RYUDHWBXSA-N 2 0 239.363 0.716 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000832458422 587661097 /nfs/dbraw/zinc/66/10/97/587661097.db2.gz GTRTWGXZZOPTHC-ZJUUUORDSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000832459738 587661188 /nfs/dbraw/zinc/66/11/88/587661188.db2.gz VWBVIZXOHWCOLQ-ONGXEEELSA-N 2 0 225.336 0.311 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000832554703 587666141 /nfs/dbraw/zinc/66/61/41/587666141.db2.gz QALYCEOOGBQCAG-WDEREUQCSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000832591707 587668215 /nfs/dbraw/zinc/66/82/15/587668215.db2.gz IFJUUTIRAPHKAH-SKDRFNHKSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)c1cccc(C[NH3+])c1 ZINC000832726383 587679830 /nfs/dbraw/zinc/67/98/30/587679830.db2.gz SCVJQCSGEGILJL-VIFPVBQESA-N 2 0 221.304 0.565 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)CC[C@@H]1[NH3+] ZINC000832737464 587681493 /nfs/dbraw/zinc/68/14/93/587681493.db2.gz VSAQIUNRSLSDJB-MIMYLULJSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@H]1CN(C(=O)c2cccc(C[NH3+])c2)CC[C@@H]1[NH3+] ZINC000832737512 587681545 /nfs/dbraw/zinc/68/15/45/587681545.db2.gz XEPDNFDIZNGGQR-GWCFXTLKSA-N 2 0 247.342 0.955 20 0 BCADRP CN(C(=O)C[C@H]([NH3+])C1CC1)C1CCC([NH3+])CC1 ZINC000832829277 587692691 /nfs/dbraw/zinc/69/26/91/587692691.db2.gz OBJXETNBFCYRKP-MCIGGMRASA-N 2 0 239.363 0.842 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(C[NH3+])c1 ZINC000832829364 587692734 /nfs/dbraw/zinc/69/27/34/587692734.db2.gz SHRQFXBEGQWETG-CYBMUJFWSA-N 2 0 247.342 0.969 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N(C)C1CCC([NH3+])CC1 ZINC000832828548 587692820 /nfs/dbraw/zinc/69/28/20/587692820.db2.gz FNYFCJFWDONPML-KPPDAEKUSA-N 2 0 227.352 0.842 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)CCCCC[NH3+])CCO1 ZINC000834316965 587751384 /nfs/dbraw/zinc/75/13/84/587751384.db2.gz NRYNXLYCKPPLPL-WDEREUQCSA-N 2 0 243.351 0.080 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000834448604 587755486 /nfs/dbraw/zinc/75/54/86/587755486.db2.gz RWVYUJFXLMKXOI-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000834460345 587755744 /nfs/dbraw/zinc/75/57/44/587755744.db2.gz IJAQAZPOUCAHDQ-INTQDDNPSA-N 2 0 225.336 0.310 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH3+])[C@H](C)[NH3+] ZINC000834618789 587761015 /nfs/dbraw/zinc/76/10/15/587761015.db2.gz NGNUXYKOWTUHHT-CIUDSAMLSA-N 2 0 201.314 0.069 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH3+])[C@@H](C)[NH3+] ZINC000834618790 587761132 /nfs/dbraw/zinc/76/11/32/587761132.db2.gz NGNUXYKOWTUHHT-DJLDLDEBSA-N 2 0 201.314 0.069 20 0 BCADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](C)C[NH3+])cc1 ZINC000834618875 587761395 /nfs/dbraw/zinc/76/13/95/587761395.db2.gz ZPUVMVCGHKGBLN-IUCAKERBSA-N 2 0 221.304 0.783 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000834640985 587762224 /nfs/dbraw/zinc/76/22/24/587762224.db2.gz CKILKDNDYJGMQK-IEBDPFPHSA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H](C)[NH2+]C2CC2)CC[C@@H]1[NH3+] ZINC000834646938 587762546 /nfs/dbraw/zinc/76/25/46/587762546.db2.gz KMNBLVFSSJOJBS-UMNHJUIQSA-N 2 0 239.363 0.713 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000834648275 587762578 /nfs/dbraw/zinc/76/25/78/587762578.db2.gz ULAXIFZCGYKCTG-JFGNBEQYSA-N 2 0 243.326 0.274 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000834642172 587762658 /nfs/dbraw/zinc/76/26/58/587762658.db2.gz PXEXUGKHAHVKCF-MFKMUULPSA-N 2 0 247.342 0.873 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000834718863 587764786 /nfs/dbraw/zinc/76/47/86/587764786.db2.gz LHUYRGCXYPQHOA-WCFLWFBJSA-N 2 0 247.342 0.677 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000834722977 587764863 /nfs/dbraw/zinc/76/48/63/587764863.db2.gz LMDJKWWNEQDCES-CMPLNLGQSA-N 2 0 225.336 0.311 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CCCCC[NH3+] ZINC000834746654 587765570 /nfs/dbraw/zinc/76/55/70/587765570.db2.gz KUYZYXDTUDWMCR-QWRGUYRKSA-N 2 0 245.342 0.664 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000834813311 587767562 /nfs/dbraw/zinc/76/75/62/587767562.db2.gz KHOLOWNXXGZRNB-PSASIEDQSA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+]CC[C@H](NC(=O)C[C@H]([NH3+])C1CC1)C(F)F ZINC000834832665 587768215 /nfs/dbraw/zinc/76/82/15/587768215.db2.gz YDUIKSBWNZGNGO-YUMQZZPRSA-N 2 0 235.278 0.213 20 0 BCADRP [NH3+]CCCCCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000834865778 587768918 /nfs/dbraw/zinc/76/89/18/587768918.db2.gz GJZDAVNZUGGGQT-MNOVXSKESA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]Cc1cccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000834870707 587769196 /nfs/dbraw/zinc/76/91/96/587769196.db2.gz XMGKDYVQGRPXHI-OLZOCXBDSA-N 2 0 245.326 0.579 20 0 BCADRP C[C@@H](CNC(=O)NCCC[NH3+])[NH+]1CCCCC1 ZINC000841725595 587973347 /nfs/dbraw/zinc/97/33/47/587973347.db2.gz NRJZQKGSBLVMHW-NSHDSACASA-N 2 0 242.367 0.509 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000841845554 587977141 /nfs/dbraw/zinc/97/71/41/587977141.db2.gz DEPNWUTWBSXBPY-GHMZBOCLSA-N 2 0 225.336 0.454 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000841848585 587977191 /nfs/dbraw/zinc/97/71/91/587977191.db2.gz PSOWACDKKQRFEX-NWDGAFQWSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H]1CN(C(=O)c2cccc(C[NH3+])c2)[C@@H](C)C[NH2+]1 ZINC000841849489 587977570 /nfs/dbraw/zinc/97/75/70/587977570.db2.gz XRKUYZDERRQJEM-MNOVXSKESA-N 2 0 247.342 0.968 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)CC[C@@H]2CCC[NH2+]2)[C@H]1C ZINC000841850243 587977744 /nfs/dbraw/zinc/97/77/44/587977744.db2.gz GGZQTZVBUQHMRD-WOPDTQHZSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CCCCC[NH3+] ZINC000841848891 587977793 /nfs/dbraw/zinc/97/77/93/587977793.db2.gz IWYLFOMMXUVAFN-GFCCVEGCSA-N 2 0 229.368 0.995 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@H]([NH3+])C1CC1 ZINC000841849031 587977804 /nfs/dbraw/zinc/97/78/04/587977804.db2.gz MSLRUUOHPRFQRB-CMPLNLGQSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@]1(CNC(=O)[C@@]2(F)CC[NH2+]C2)CCC[NH2+]C1 ZINC000841849978 587977845 /nfs/dbraw/zinc/97/78/45/587977845.db2.gz RYIJUJSCEGDCHE-NWDGAFQWSA-N 2 0 243.326 0.194 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)c1cccc(C[NH3+])c1 ZINC000841848897 587977932 /nfs/dbraw/zinc/97/79/32/587977932.db2.gz IXNZNCFXTFASDQ-UHFFFAOYSA-N 2 0 247.342 0.969 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)C[C@@H]([NH3+])C2CC2)[C@H]1C ZINC000841850317 587977935 /nfs/dbraw/zinc/97/79/35/587977935.db2.gz KUJSYIGFPAEQIV-ATZCPNFKSA-N 2 0 225.336 0.323 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000841848859 587977977 /nfs/dbraw/zinc/97/79/77/587977977.db2.gz HFJUTBKGOQEBSR-YPMHNXCESA-N 2 0 241.379 0.994 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000841852316 587978395 /nfs/dbraw/zinc/97/83/95/587978395.db2.gz ZFWNJAOFQIWBBV-SDDRHHMPSA-N 2 0 239.363 0.905 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000841851205 587978501 /nfs/dbraw/zinc/97/85/01/587978501.db2.gz MTGFVIHHRBAYGK-PLKZCJTGSA-N 2 0 239.363 0.617 20 0 BCADRP CN(C(=O)C[C@H]([NH3+])C1CC1)[C@H](C[NH3+])C1CC1 ZINC000842510427 588031626 /nfs/dbraw/zinc/03/16/26/588031626.db2.gz PRTNMFQCSKCRIS-WDEREUQCSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@@H]1CCN(C(=O)CCCCC[NH3+])C[C@H]1C[NH3+] ZINC000842508992 588031678 /nfs/dbraw/zinc/03/16/78/588031678.db2.gz FPGUFHPZCCCPFE-VXGBXAGGSA-N 2 0 241.379 0.949 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842512654 588032088 /nfs/dbraw/zinc/03/20/88/588032088.db2.gz LKKQMXMXSRAGCW-GMXVVIOVSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC000843126007 588084385 /nfs/dbraw/zinc/08/43/85/588084385.db2.gz MHYNXNIMVDYUHV-DDHJBXDOSA-N 2 0 211.353 0.857 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843327824 588100303 /nfs/dbraw/zinc/10/03/03/588100303.db2.gz NMXONCNZYZTITP-SNVBAGLBSA-N 2 0 235.331 0.541 20 0 BCADRP [NH3+]CCCC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843327579 588100347 /nfs/dbraw/zinc/10/03/47/588100347.db2.gz JCYOMCQMRXSCGE-UHFFFAOYSA-N 2 0 235.331 0.543 20 0 BCADRP C[C@H](C[C@@H]1COCCN1)[NH2+]CCCCCC[NH3+] ZINC000843344030 588101426 /nfs/dbraw/zinc/10/14/26/588101426.db2.gz MQIXIQWDVLALHC-CHWSQXEVSA-N 2 0 243.395 0.862 20 0 BCADRP Cn1ncc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000843364785 588104331 /nfs/dbraw/zinc/10/43/31/588104331.db2.gz SGECWXYGQPNSSY-UHFFFAOYSA-N 2 0 235.335 0.391 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843452736 588111409 /nfs/dbraw/zinc/11/14/09/588111409.db2.gz XIXPCWZGBOQKKD-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000843482972 588114591 /nfs/dbraw/zinc/11/45/91/588114591.db2.gz BCIMPDJQRAZFNN-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NCCCCCC[NH3+] ZINC000843511441 588115838 /nfs/dbraw/zinc/11/58/38/588115838.db2.gz DXIIULAOMROIDL-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000843502033 588116916 /nfs/dbraw/zinc/11/69/16/588116916.db2.gz UYIPYXTUUFXGCN-SECBINFHSA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+]CCCCCCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000843505715 588117255 /nfs/dbraw/zinc/11/72/55/588117255.db2.gz KIQCCRIZIMRMAP-NSHDSACASA-N 2 0 243.351 0.000 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCCCCC[NH3+] ZINC000843505806 588117275 /nfs/dbraw/zinc/11/72/75/588117275.db2.gz NOWSUKURYALKLC-QWRGUYRKSA-N 2 0 229.368 0.995 20 0 BCADRP CC(C)([NH3+])CC(=O)NCCCCCC[NH3+] ZINC000843505709 588117312 /nfs/dbraw/zinc/11/73/12/588117312.db2.gz KBGOHSABBHYDPO-UHFFFAOYSA-N 2 0 215.341 0.749 20 0 BCADRP CC[NH2+]CC(=O)NCCCCCC[NH3+] ZINC000843505856 588117363 /nfs/dbraw/zinc/11/73/63/588117363.db2.gz OPTQANYNFOAYIX-UHFFFAOYSA-N 2 0 201.314 0.231 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000843511145 588117539 /nfs/dbraw/zinc/11/75/39/588117539.db2.gz IOENFVHMBFKIHA-LLVKDONJSA-N 2 0 227.352 0.749 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000843512531 588117567 /nfs/dbraw/zinc/11/75/67/588117567.db2.gz OCMGIOVEKQAVRV-MXWKQRLJSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCCCC[NH3+] ZINC000843512487 588117835 /nfs/dbraw/zinc/11/78/35/588117835.db2.gz NHCOOZKBNMYMFZ-QWRGUYRKSA-N 2 0 227.352 0.620 20 0 BCADRP CC[NH2+]CC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000844172519 588170399 /nfs/dbraw/zinc/17/03/99/588170399.db2.gz VAYWKUSLLYDSGY-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP CC[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC000844163942 588171762 /nfs/dbraw/zinc/17/17/62/588171762.db2.gz QFCZIWVWEJZUFG-UHFFFAOYSA-N 2 0 241.379 0.978 20 0 BCADRP CC[NH2+]CC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000844168618 588171788 /nfs/dbraw/zinc/17/17/88/588171788.db2.gz LKVJSQMLRVISCH-UHFFFAOYSA-N 2 0 249.358 0.974 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000844178335 588172098 /nfs/dbraw/zinc/17/20/98/588172098.db2.gz PKRIHSBXQPDOGP-CMPLNLGQSA-N 2 0 243.326 0.146 20 0 BCADRP [NH3+]CCCCCCN1CCN2C(=O)N=NC2C1 ZINC000846221392 588261267 /nfs/dbraw/zinc/26/12/67/588261267.db2.gz YEUZVFOWHVQHBH-UHFFFAOYSA-N 2 0 239.323 0.318 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000846743495 588284475 /nfs/dbraw/zinc/28/44/75/588284475.db2.gz ZLUDOCYVFABDNP-YWVKMMECSA-N 2 0 229.299 0.026 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000848438541 588384966 /nfs/dbraw/zinc/38/49/66/588384966.db2.gz VDTRUGHDHDIVFT-ZETCQYMHSA-N 2 0 241.257 0.511 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848722357 588408587 /nfs/dbraw/zinc/40/85/87/588408587.db2.gz SLGNIPOBDFQHAK-QXEWZRGKSA-N 2 0 241.335 0.685 20 0 BCADRP [NH2+]=C(NCCC[NH+]1CCCC1)N1CCC1 ZINC000848982657 588422857 /nfs/dbraw/zinc/42/28/57/588422857.db2.gz RHJKHTRRBYTODM-UHFFFAOYSA-N 2 0 210.325 0.702 20 0 BCADRP CNC(=[NH2+])NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000848982448 588424200 /nfs/dbraw/zinc/42/42/00/588424200.db2.gz ANFHLXYYLBWAER-SNVBAGLBSA-N 2 0 228.340 0.087 20 0 BCADRP CCNC(=[NH2+])NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000848983603 588424413 /nfs/dbraw/zinc/42/44/13/588424413.db2.gz VQZFYTODDGOUPI-GHMZBOCLSA-N 2 0 242.367 0.620 20 0 BCADRP CC(C)[C@H](CNC1=[NH+]CCN1C)[NH+]1CCCC1 ZINC000848984174 588424773 /nfs/dbraw/zinc/42/47/73/588424773.db2.gz VXMRVHSNTPZCJB-LBPRGKRZSA-N 2 0 238.379 0.998 20 0 BCADRP CC(C)C[C@@H](CNC1=[NH+]CCN1C)[NH+](C)C ZINC000848983954 588425041 /nfs/dbraw/zinc/42/50/41/588425041.db2.gz YYPTZCQFSBTJPI-NSHDSACASA-N 2 0 226.368 0.854 20 0 BCADRP CNC(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000848986953 588425704 /nfs/dbraw/zinc/42/57/04/588425704.db2.gz BPSRWALHOWPIGC-ZJUUUORDSA-N 2 0 212.341 0.851 20 0 BCADRP C[NH+](C)CCCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000848989965 588426567 /nfs/dbraw/zinc/42/65/67/588426567.db2.gz OKNMLIJQAYHZIV-LLVKDONJSA-N 2 0 242.367 0.621 20 0 BCADRP COCCNC(=[NH2+])NCCCC[NH+](C)C ZINC000848990004 588426677 /nfs/dbraw/zinc/42/66/77/588426677.db2.gz QVWLTPKVUKZTIO-UHFFFAOYSA-N 2 0 216.329 0.089 20 0 BCADRP COC[C@H](C)NC(=[NH2+])NCCC[NH2+]C(C)(C)C ZINC000848994018 588428230 /nfs/dbraw/zinc/42/82/30/588428230.db2.gz IARQQFQOLGZKPG-JTQLQIEISA-N 2 0 244.383 0.913 20 0 BCADRP CCNC(=[NH2+])NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000848994474 588428354 /nfs/dbraw/zinc/42/83/54/588428354.db2.gz KUZFBHFMRNYCSB-NSHDSACASA-N 2 0 241.383 0.004 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])N(C)C)C1 ZINC000848996213 588429117 /nfs/dbraw/zinc/42/91/17/588429117.db2.gz LSXVPWXYXLNGNC-SNVBAGLBSA-N 2 0 212.341 0.803 20 0 BCADRP [NH2+]=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC1 ZINC000849000281 588430458 /nfs/dbraw/zinc/43/04/58/588430458.db2.gz OVUYXZNHPFQZQK-WDEREUQCSA-N 2 0 238.335 0.080 20 0 BCADRP CC[N@H+](CCNC1=[NH+]CCCN1C)C(C)C ZINC000849000992 588430692 /nfs/dbraw/zinc/43/06/92/588430692.db2.gz MEDWSKGSAWIGLB-UHFFFAOYSA-N 2 0 226.368 0.998 20 0 BCADRP CCNC(=[NH2+])NCC[N@H+](CC)C(C)C ZINC000849001073 588430776 /nfs/dbraw/zinc/43/07/76/588430776.db2.gz ZVWSDZDMQGCWJB-UHFFFAOYSA-N 2 0 200.330 0.851 20 0 BCADRP CN(C)C(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000849007482 588433230 /nfs/dbraw/zinc/43/32/30/588433230.db2.gz RGEWOZMASSPHRQ-UHFFFAOYSA-N 2 0 228.340 0.183 20 0 BCADRP CCNC(=[NH2+])NC[C@@H](CC[NH+](C)C)OCC ZINC000849012328 588435664 /nfs/dbraw/zinc/43/56/64/588435664.db2.gz YLJOIMHDHKAWCH-SNVBAGLBSA-N 2 0 230.356 0.477 20 0 BCADRP CC[C@H](CO)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000849017039 588437301 /nfs/dbraw/zinc/43/73/01/588437301.db2.gz YAKJIKXLXOKKQW-GHMZBOCLSA-N 2 0 242.367 0.356 20 0 BCADRP COC[C@H](C)NC(=[NH2+])NCC1([NH+](C)C)CCC1 ZINC000849020652 588438661 /nfs/dbraw/zinc/43/86/61/588438661.db2.gz SDKJBFDVCNMCKL-JTQLQIEISA-N 2 0 242.367 0.620 20 0 BCADRP CNC(=[NH2+])NCC(C)(C)C[NH+]1CCCC1 ZINC000849021710 588439165 /nfs/dbraw/zinc/43/91/65/588439165.db2.gz BJULOJLCSBWEMR-UHFFFAOYSA-N 2 0 212.341 0.852 20 0 BCADRP CCNC(=[NH2+])NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000849022530 588439369 /nfs/dbraw/zinc/43/93/69/588439369.db2.gz GWRGCRMWTWYXKZ-NSHDSACASA-N 2 0 242.367 0.621 20 0 BCADRP CNC(=[NH2+])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000849023201 588439645 /nfs/dbraw/zinc/43/96/45/588439645.db2.gz XQEKJTOYUJTWMD-SNVBAGLBSA-N 2 0 210.325 0.747 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOC ZINC000849027649 588441467 /nfs/dbraw/zinc/44/14/67/588441467.db2.gz AKVAYICSMFBPOQ-NSHDSACASA-N 2 0 242.367 0.621 20 0 BCADRP C[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)C[NH+](C)C ZINC000849030821 588442754 /nfs/dbraw/zinc/44/27/54/588442754.db2.gz YEWQQFVSWBTXGE-MNOVXSKESA-N 2 0 242.367 0.429 20 0 BCADRP [NH2+]=C(NC[C@@H]1CCC[N@H+]1CCCO)NC1CC1 ZINC000849033916 588443718 /nfs/dbraw/zinc/44/37/18/588443718.db2.gz DYRDWVHCATYCFT-NSHDSACASA-N 2 0 240.351 0.110 20 0 BCADRP CN(C)C(=[NH2+])NCc1ccc2c[nH+]cn2c1 ZINC000849040255 588447186 /nfs/dbraw/zinc/44/71/86/588447186.db2.gz OQQPOWCFVSWIOU-UHFFFAOYSA-N 2 0 217.276 0.920 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=[NH2+])N2CCC2)C1 ZINC000849049617 588451400 /nfs/dbraw/zinc/45/14/00/588451400.db2.gz UTXSNLUNHGGBJB-AOOOYVTPSA-N 2 0 210.325 0.557 20 0 BCADRP CON(C)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000850479691 588550454 /nfs/dbraw/zinc/55/04/54/588550454.db2.gz BMGZGVTYQQRBAC-NSHDSACASA-N 2 0 229.368 0.800 20 0 BCADRP CCC[NH+]1CCC([NH2+]CCN(C)OC)CC1 ZINC000850479712 588550551 /nfs/dbraw/zinc/55/05/51/588550551.db2.gz BSQJQRZYXMPIRD-UHFFFAOYSA-N 2 0 229.368 0.944 20 0 BCADRP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1CNC(=O)C1 ZINC000852008677 588654931 /nfs/dbraw/zinc/65/49/31/588654931.db2.gz WPKGCAVUBMEQGK-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP CN(Cc1c[nH]cn1)C[C@@H](O)C[NH+]1CCCC1 ZINC000852283831 588676172 /nfs/dbraw/zinc/67/61/72/588676172.db2.gz CBBMSYBKIZWQTL-GFCCVEGCSA-N 2 0 238.335 0.298 20 0 BCADRP COCCN(CCF)CCc1cncn1C ZINC000852479317 588683390 /nfs/dbraw/zinc/68/33/90/588683390.db2.gz CCPSWBVUMBISQJ-UHFFFAOYSA-N 2 0 229.299 0.881 20 0 BCADRP C[N@H+](CCOC(F)F)CCN1CC[NH2+]CC1 ZINC000852743576 588698247 /nfs/dbraw/zinc/69/82/47/588698247.db2.gz FXJVWNHHPNWCGO-UHFFFAOYSA-N 2 0 237.294 0.063 20 0 BCADRP [NH3+]CCCCCC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000852755726 588700450 /nfs/dbraw/zinc/70/04/50/588700450.db2.gz BOZWRYLDEOPROS-UHFFFAOYSA-N 3 0 211.353 0.929 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N1CCC[NH2+]CC1 ZINC000852790721 588702995 /nfs/dbraw/zinc/70/29/95/588702995.db2.gz SIUCSSRRFAKWBJ-UHFFFAOYSA-N 2 0 223.320 0.118 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)NCC[C@@H]1CC[NH2+]C1 ZINC000852794612 588703221 /nfs/dbraw/zinc/70/32/21/588703221.db2.gz ANUPITNSFCOUIP-LBPRGKRZSA-N 2 0 237.347 0.412 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)C=C1CC[NH2+]CC1 ZINC000852796279 588703431 /nfs/dbraw/zinc/70/34/31/588703431.db2.gz BFQIYOCWFAIOBD-VIFPVBQESA-N 2 0 211.309 0.102 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C=C1CC[NH2+]CC1 ZINC000852798077 588703667 /nfs/dbraw/zinc/70/36/67/588703667.db2.gz FOQHHZFJGHXORN-UHFFFAOYSA-N 2 0 239.363 0.740 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)[C@@H]2[NH2+]CC23CCCC3)C1 ZINC000852824414 588705689 /nfs/dbraw/zinc/70/56/89/588705689.db2.gz BDFLGBSYYOPECR-MNOVXSKESA-N 2 0 237.347 0.326 20 0 BCADRP O=C(NCC[NH2+]C1CC1)[C@H]1[NH2+]CC12CCCC2 ZINC000852825068 588705960 /nfs/dbraw/zinc/70/59/60/588705960.db2.gz JHMOJYKHSFHXLG-LLVKDONJSA-N 2 0 237.347 0.387 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1[NH2+]CC12CCCC2 ZINC000852824995 588706055 /nfs/dbraw/zinc/70/60/55/588706055.db2.gz FUHHXCGNIRIYOJ-JTQLQIEISA-N 2 0 225.336 0.244 20 0 BCADRP CN(C(=O)[C@H]1[NH2+]CC12CCCC2)[C@@H]1CC[NH2+]C1 ZINC000852825922 588706136 /nfs/dbraw/zinc/70/61/36/588706136.db2.gz WUCSNDWNQBHEFS-GHMZBOCLSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000852844215 588707644 /nfs/dbraw/zinc/70/76/44/588707644.db2.gz ACEHSYUWPIMVKC-BBBLOLIVSA-N 2 0 225.336 0.323 20 0 BCADRP Cc1ccc(NC(=O)C2=NO[C@@H](C[NH3+])C2)c(C)n1 ZINC000852861313 588709181 /nfs/dbraw/zinc/70/91/81/588709181.db2.gz SWJUBIBGTDIUCF-SECBINFHSA-N 2 0 248.286 0.741 20 0 BCADRP C[C@H](Cn1ccnc1)NC(=O)C=C1CC[NH2+]CC1 ZINC000852860154 588709191 /nfs/dbraw/zinc/70/91/91/588709191.db2.gz LIRUJMMSZGCDGO-LLVKDONJSA-N 2 0 248.330 0.698 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000852867888 588709456 /nfs/dbraw/zinc/70/94/56/588709456.db2.gz GHAYEPYXBOTKCL-MWLCHTKSSA-N 2 0 231.315 0.178 20 0 BCADRP [NH3+]CCCCCCC(=O)NCC12CC(C1)C[NH2+]2 ZINC000852866378 588709660 /nfs/dbraw/zinc/70/96/60/588709660.db2.gz WFJWZFFVSNECOP-UHFFFAOYSA-N 2 0 239.363 0.764 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000852868713 588709667 /nfs/dbraw/zinc/70/96/67/588709667.db2.gz VJNAWBRSOHHNDC-MWLCHTKSSA-N 2 0 227.352 0.617 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000852873737 588709723 /nfs/dbraw/zinc/70/97/23/588709723.db2.gz BLTVFQRMZZZQKN-VIFPVBQESA-N 2 0 213.325 0.052 20 0 BCADRP [NH3+][C@H](CNC(=O)C=C1CC[NH2+]CC1)C1CC1 ZINC000852873930 588709803 /nfs/dbraw/zinc/70/98/03/588709803.db2.gz HQAZKQJGGCVTAX-LLVKDONJSA-N 2 0 223.320 0.150 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000852875092 588710096 /nfs/dbraw/zinc/71/00/96/588710096.db2.gz SJRIXOOKJQKBPS-XYPYZODXSA-N 2 0 237.347 0.326 20 0 BCADRP C[C@H]1CN(C(=O)C=C2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000852874793 588710285 /nfs/dbraw/zinc/71/02/85/588710285.db2.gz POTMAVIDLGGILQ-QWRGUYRKSA-N 2 0 237.347 0.505 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000852877670 588710399 /nfs/dbraw/zinc/71/03/99/588710399.db2.gz IZIRJSBIENIQGC-AAEUAGOBSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C=C1CC[NH2+]CC1 ZINC000852876856 588710403 /nfs/dbraw/zinc/71/04/03/588710403.db2.gz VQNPYMCDECLINT-CMPLNLGQSA-N 2 0 237.347 0.410 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000852879899 588710594 /nfs/dbraw/zinc/71/05/94/588710594.db2.gz XYKQQHZARHBMLH-QMMMGPOBSA-N 2 0 211.309 0.111 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000852881906 588710870 /nfs/dbraw/zinc/71/08/70/588710870.db2.gz SGURTBAAGCIFKX-GFCCVEGCSA-N 2 0 249.358 0.555 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C=C1CC[NH2+]CC1 ZINC000852881488 588710895 /nfs/dbraw/zinc/71/08/95/588710895.db2.gz LKAPXQNXDGBOJF-SNVBAGLBSA-N 2 0 211.309 0.150 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)C=C1CC[NH2+]CC1)C(F)F ZINC000852882056 588711043 /nfs/dbraw/zinc/71/10/43/588711043.db2.gz WTMFFLMWISOYMV-SECBINFHSA-N 2 0 247.289 0.395 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)NCCCCCC[NH3+] ZINC000852893886 588711701 /nfs/dbraw/zinc/71/17/01/588711701.db2.gz CKPYSFVBZDVZKD-NSHDSACASA-N 2 0 245.367 0.374 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000852893101 588711832 /nfs/dbraw/zinc/71/18/32/588711832.db2.gz QWYBPJQGYYLICB-NHCYSSNCSA-N 2 0 223.320 0.078 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000852895284 588711938 /nfs/dbraw/zinc/71/19/38/588711938.db2.gz VZOWEKHIGJBKKO-MNOVXSKESA-N 2 0 227.352 0.749 20 0 BCADRP [NH3+][C@@H]1CN(C(=O)C=C2CC[NH2+]CC2)CC[C@H]1F ZINC000852918834 588713271 /nfs/dbraw/zinc/71/32/71/588713271.db2.gz JYKCUVYKOHSKTP-GHMZBOCLSA-N 2 0 241.310 0.194 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)c1cccc(C[NH3+])c1 ZINC000852921410 588713375 /nfs/dbraw/zinc/71/33/75/588713375.db2.gz MIKLBDGMSXSUPE-SECBINFHSA-N 2 0 221.304 0.483 20 0 BCADRP CC[NH+](CC)CCCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861548443 589167797 /nfs/dbraw/zinc/16/77/97/589167797.db2.gz ONFVUPSNGFGDAU-LLVKDONJSA-N 2 0 244.383 0.707 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000861564031 589168388 /nfs/dbraw/zinc/16/83/88/589168388.db2.gz HBNPJVGYQJOXGJ-NXEZZACHSA-N 2 0 228.340 0.069 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861571955 589168400 /nfs/dbraw/zinc/16/84/00/589168400.db2.gz KEQFONQQZGUREE-WDEREUQCSA-N 2 0 244.383 0.705 20 0 BCADRP CCN(CC[NH3+])C(=O)NCC[N@H+](CC)C(C)C ZINC000861570425 589168469 /nfs/dbraw/zinc/16/84/69/589168469.db2.gz QCJBCKLHNDFFIP-UHFFFAOYSA-N 2 0 244.383 0.707 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000861565081 589168643 /nfs/dbraw/zinc/16/86/43/589168643.db2.gz FJWUICPETYPSJE-NXEZZACHSA-N 2 0 228.340 0.069 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000861574079 589168926 /nfs/dbraw/zinc/16/89/26/589168926.db2.gz OLWNGCGRCYNHKY-ZJUUUORDSA-N 2 0 242.367 0.458 20 0 BCADRP C[C@H](CNC(=O)N(C)C[C@H](C)[NH3+])[N@H+](C)C1CC1 ZINC000861574078 589168957 /nfs/dbraw/zinc/16/89/57/589168957.db2.gz OLWNGCGRCYNHKY-VHSXEESVSA-N 2 0 242.367 0.458 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861640831 589171974 /nfs/dbraw/zinc/17/19/74/589171974.db2.gz OZJCGFIGUIYDRS-NXEZZACHSA-N 2 0 230.356 0.348 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000861642125 589172032 /nfs/dbraw/zinc/17/20/32/589172032.db2.gz ULGZFPCLWRNZKI-SNVBAGLBSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000861638977 589172188 /nfs/dbraw/zinc/17/21/88/589172188.db2.gz ILXOYKIZPQBFCT-DCAQKATOSA-N 2 0 242.367 0.363 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000861643119 589172509 /nfs/dbraw/zinc/17/25/09/589172509.db2.gz QJUUETISFWAQCX-IVZWLZJFSA-N 2 0 228.340 0.245 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)NCCC1CC[NH2+]CC1 ZINC000861647883 589172989 /nfs/dbraw/zinc/17/29/89/589172989.db2.gz JSVRZZBYIFLDNP-JTQLQIEISA-N 2 0 242.367 0.365 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000861651528 589173213 /nfs/dbraw/zinc/17/32/13/589173213.db2.gz VHLOGMJWRAZWDT-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000863546159 589295651 /nfs/dbraw/zinc/29/56/51/589295651.db2.gz FAZCDOYDCOBNMB-XHNCKOQMSA-N 2 0 217.313 0.110 20 0 BCADRP COC(=O)C1=CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000863541886 589296903 /nfs/dbraw/zinc/29/69/03/589296903.db2.gz LVADZQQAZCLPHJ-KKZNHRDASA-N 2 0 226.320 0.964 20 0 BCADRP CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)C1 ZINC000863542128 589297096 /nfs/dbraw/zinc/29/70/96/589297096.db2.gz ABSXGELTLXLIEO-JOYOIKCWSA-N 2 0 238.331 0.836 20 0 BCADRP COC(=O)C1=CC[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])C1 ZINC000863541605 589297290 /nfs/dbraw/zinc/29/72/90/589297290.db2.gz KETYHMFLQYPGEL-DCAQKATOSA-N 2 0 224.304 0.718 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@H](C[NH3+])C1)[NH+](C)C ZINC000863585256 589302430 /nfs/dbraw/zinc/30/24/30/589302430.db2.gz SYQZKDDWJJLZHQ-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H]([NH3+])CN(C)Cc1nc2c(s1)C[NH2+]CC2 ZINC000863651182 589307080 /nfs/dbraw/zinc/30/70/80/589307080.db2.gz CKSSVQNYSNWOBY-MRVPVSSYSA-N 2 0 240.376 0.568 20 0 BCADRP C[C@H]1C[C@H]1NC(=[NH2+])NCC[NH+]1CCCC1 ZINC000864450249 589364176 /nfs/dbraw/zinc/36/41/76/589364176.db2.gz IOFLRNUZVCKROF-VHSXEESVSA-N 2 0 210.325 0.605 20 0 BCADRP C[C@H]1C[C@@H]1NC(=[NH2+])NCCCC[NH+](C)C ZINC000864452952 589365434 /nfs/dbraw/zinc/36/54/34/589365434.db2.gz QYVUMKIBYGBRQA-UWVGGRQHSA-N 2 0 212.341 0.851 20 0 BCADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000864458575 589368509 /nfs/dbraw/zinc/36/85/09/589368509.db2.gz OBGPDBDRLNDOBH-BDAKNGLRSA-N 2 0 212.341 0.897 20 0 BCADRP NC(=O)c1ccc(CC[NH+]2CCC([NH3+])CC2)cc1 ZINC000866660693 589507792 /nfs/dbraw/zinc/50/77/92/589507792.db2.gz CSXZFVOAMMAAIU-UHFFFAOYSA-N 2 0 247.342 0.751 20 0 BCADRP [NH3+]C[C@H]1CCC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000866659477 589508235 /nfs/dbraw/zinc/50/82/35/589508235.db2.gz MNCCQHIUQCEIHX-GHMZBOCLSA-N 2 0 235.335 0.436 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866704017 589513612 /nfs/dbraw/zinc/51/36/12/589513612.db2.gz NUKIBUGMNUFISW-WOPDTQHZSA-N 2 0 244.404 0.642 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000866704802 589514188 /nfs/dbraw/zinc/51/41/88/589514188.db2.gz YDTKBFBPPVYHSB-CMPLNLGQSA-N 2 0 230.352 0.050 20 0 BCADRP CCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707137 589514515 /nfs/dbraw/zinc/51/45/15/589514515.db2.gz GXKKQJXGGHQYNU-AXFHLTTASA-N 2 0 239.319 0.263 20 0 BCADRP CN(C)C(=O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708150 589514729 /nfs/dbraw/zinc/51/47/29/589514729.db2.gz PTCMQEXMIGDPJG-CYBMUJFWSA-N 2 0 241.379 0.772 20 0 BCADRP C(CN1CCC[C@@H]2[NH2+]CC[C@H]21)[C@H]1CC[NH2+]C1 ZINC000866723968 589515893 /nfs/dbraw/zinc/51/58/93/589515893.db2.gz KLTKMMORSBSOTD-FRRDWIJNSA-N 2 0 223.364 0.812 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)C1CC[NH2+]CC1 ZINC000868005580 589543880 /nfs/dbraw/zinc/54/38/80/589543880.db2.gz RCBGRGCOLHSCCS-CKYFFXLPSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H](NC(=O)C(C)(C)C[NH3+])C1CC[NH2+]CC1 ZINC000868012629 589544468 /nfs/dbraw/zinc/54/44/68/589544468.db2.gz JEHMBZGXJFNLQT-VIFPVBQESA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000870937278 589698873 /nfs/dbraw/zinc/69/88/73/589698873.db2.gz YKGXWAKKDVVGJX-BBBLOLIVSA-N 2 0 213.325 0.310 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870871174 589692892 /nfs/dbraw/zinc/69/28/92/589692892.db2.gz JMBLGEVCCCVLPR-SDDRHHMPSA-N 2 0 239.363 0.572 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870871175 589693117 /nfs/dbraw/zinc/69/31/17/589693117.db2.gz JMBLGEVCCCVLPR-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H](C)C[NH2+]1 ZINC000870912403 589696433 /nfs/dbraw/zinc/69/64/33/589696433.db2.gz FWOBVXZMLSNFFR-FIQHERPVSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)C1CC1 ZINC000870936673 589696509 /nfs/dbraw/zinc/69/65/09/589696509.db2.gz APGXBPDWVCPVNQ-OUAUKWLOSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@H]1CN(C(=O)CC[NH2+]CC2CC2)[C@@H](C)C[NH2+]1 ZINC000870912535 589696645 /nfs/dbraw/zinc/69/66/45/589696645.db2.gz HIHZWZNYDQYLCI-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+](C)CCCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870914489 589696901 /nfs/dbraw/zinc/69/69/01/589696901.db2.gz TZAXGNZCDVVHBC-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000870913476 589696916 /nfs/dbraw/zinc/69/69/16/589696916.db2.gz BVZPHBDGUBYVFQ-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP O=C(CC[NH2+]CC1CC1)NC1CC[NH2+]CC1 ZINC000870930935 589697590 /nfs/dbraw/zinc/69/75/90/589697590.db2.gz HNKITDJDQZZSLO-UHFFFAOYSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H](NC(=O)C(C)(C)[NH3+])C1CC[NH2+]CC1 ZINC000870987510 589704379 /nfs/dbraw/zinc/70/43/79/589704379.db2.gz KEWOYLJCVFLPOK-QMMMGPOBSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870931060 589697766 /nfs/dbraw/zinc/69/77/66/589697766.db2.gz LCSZSIBTNHNPPC-NSHDSACASA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000870928966 589697796 /nfs/dbraw/zinc/69/77/96/589697796.db2.gz NICAIGMHNQUEJZ-UTLUCORTSA-N 2 0 225.336 0.465 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000870934227 589697968 /nfs/dbraw/zinc/69/79/68/589697968.db2.gz HTVQGRICKHXPGR-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870933600 589697970 /nfs/dbraw/zinc/69/79/70/589697970.db2.gz QRCYDSHOKQUEPB-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000870934128 589698023 /nfs/dbraw/zinc/69/80/23/589698023.db2.gz GFTQBFJXXRZMRI-ZYANWLCNSA-N 2 0 239.363 0.890 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)CC[NH2+]CC1CC1 ZINC000870934245 589698116 /nfs/dbraw/zinc/69/81/16/589698116.db2.gz ICUCFVFAKBKDAE-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000870933006 589698119 /nfs/dbraw/zinc/69/81/19/589698119.db2.gz NHMXSRRNTUGSAA-HAQNSBGRSA-N 2 0 239.363 0.620 20 0 BCADRP O=C(CC[NH2+]CC1CC1)NC[C@H]1CCCC[NH2+]1 ZINC000870934440 589698365 /nfs/dbraw/zinc/69/83/65/589698365.db2.gz NRFKXUCLPXQMIJ-GFCCVEGCSA-N 2 0 239.363 0.634 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870935041 589698369 /nfs/dbraw/zinc/69/83/69/589698369.db2.gz TXIHGCZQWAMOJB-NSHDSACASA-N 2 0 225.336 0.183 20 0 BCADRP CN(C(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@H]1CC[NH2+]C1 ZINC000870936193 589698406 /nfs/dbraw/zinc/69/84/06/589698406.db2.gz DCJAJTKPHXNQNM-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP O=C(CC[NH2+]CC1CC1)NC[C@@H]1CCCC[NH2+]1 ZINC000870934441 589698581 /nfs/dbraw/zinc/69/85/81/589698581.db2.gz NRFKXUCLPXQMIJ-LBPRGKRZSA-N 2 0 239.363 0.634 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870935781 589698605 /nfs/dbraw/zinc/69/86/05/589698605.db2.gz SOQOLACHVPAPRL-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C[C@@H](C)[NH2+]1 ZINC000870935712 589698621 /nfs/dbraw/zinc/69/86/21/589698621.db2.gz BLMPKCXAZMTRPY-YFVNTRNASA-N 2 0 237.347 0.323 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870937382 589698731 /nfs/dbraw/zinc/69/87/31/589698731.db2.gz HTNCVDNOWZDCNV-XZUYRWCXSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H]1CN(C(=O)CC[NH2+]CC2CC2)CC[C@H]1[NH3+] ZINC000870937229 589698747 /nfs/dbraw/zinc/69/87/47/589698747.db2.gz XCBLRJIXZHTQGG-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870937381 589698775 /nfs/dbraw/zinc/69/87/75/589698775.db2.gz HTNCVDNOWZDCNV-BLFANLJRSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870937926 589698836 /nfs/dbraw/zinc/69/88/36/589698836.db2.gz CNXCUPFYTWXXPR-OPRDCNLKSA-N 2 0 213.325 0.215 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)CC[NH2+]CC1CC1 ZINC000870937778 589698859 /nfs/dbraw/zinc/69/88/59/589698859.db2.gz SANOVQMAULLVEU-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000870939791 589699131 /nfs/dbraw/zinc/69/91/31/589699131.db2.gz CTABHKGGJCLZMK-FTEPDLOASA-N 2 0 237.347 0.500 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000870939866 589699133 /nfs/dbraw/zinc/69/91/33/589699133.db2.gz DYQNUHBCNYEPMH-SRRSOLGSSA-N 2 0 237.347 0.372 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[NH2+]1 ZINC000870941849 589699506 /nfs/dbraw/zinc/69/95/06/589699506.db2.gz BIAYSEOKLGPRDJ-IIEKFROSSA-N 2 0 237.347 0.371 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)CC[NH2+]CC2CC2)C1 ZINC000870941547 589699510 /nfs/dbraw/zinc/69/95/10/589699510.db2.gz YCQXTOBYQJCRRR-NEPJUHHUSA-N 2 0 239.363 0.762 20 0 BCADRP CN(C(=O)CC[NH2+]CC1CC1)C1CC([NH3+])C1 ZINC000870944459 589699959 /nfs/dbraw/zinc/69/99/59/589699959.db2.gz GVTLZUKBNVHTBC-UHFFFAOYSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000870943996 589699972 /nfs/dbraw/zinc/69/99/72/589699972.db2.gz ADIIITIWTVTSPE-KKOKHZNYSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1[NH3+] ZINC000870944965 589700013 /nfs/dbraw/zinc/70/00/13/589700013.db2.gz GILJJTDAMWDZPJ-GWOFURMSSA-N 2 0 225.336 0.310 20 0 BCADRP CN(C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CC([NH3+])C1 ZINC000870944884 589700029 /nfs/dbraw/zinc/70/00/29/589700029.db2.gz MDFANNZIRMIZSO-XKTARXGXSA-N 2 0 223.320 0.062 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000870945036 589700283 /nfs/dbraw/zinc/70/02/83/589700283.db2.gz NQVOWTJHDFZQQQ-DDHJBXDOSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)CC[NH2+]CC1CC1 ZINC000870947412 589700298 /nfs/dbraw/zinc/70/02/98/589700298.db2.gz PHMPPWIWLSXMRC-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP CN(C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@@H](C[NH3+])C1CC1 ZINC000870947253 589700329 /nfs/dbraw/zinc/70/03/29/589700329.db2.gz YGLFZGZTUVSRGB-BLFANLJRSA-N 2 0 237.347 0.310 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000870946924 589700451 /nfs/dbraw/zinc/70/04/51/589700451.db2.gz LUYOBCKNRUZECV-SGIHWFKDSA-N 2 0 213.325 0.356 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870947461 589700735 /nfs/dbraw/zinc/70/07/35/589700735.db2.gz PMZKKRNNFMHXLC-NOHGZBONSA-N 2 0 239.363 0.748 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000870948963 589700787 /nfs/dbraw/zinc/70/07/87/589700787.db2.gz XXKLEFQJBLVKQR-OIMNJJJWSA-N 2 0 249.358 0.468 20 0 BCADRP C[C@@H](CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[NH+](C)C ZINC000870953095 589701130 /nfs/dbraw/zinc/70/11/30/589701130.db2.gz JZSABCDIADRCIE-SDDRHHMPSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965592 589701399 /nfs/dbraw/zinc/70/13/99/589701399.db2.gz SEBATGMCARTUKJ-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000870959929 589701536 /nfs/dbraw/zinc/70/15/36/589701536.db2.gz ZBHZMNIVLOFMNR-YWVKMMECSA-N 2 0 211.309 0.064 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000870963807 589701875 /nfs/dbraw/zinc/70/18/75/589701875.db2.gz UETGCKLBPMKRDU-JGZJWPJOSA-N 2 0 245.326 0.757 20 0 BCADRP [NH3+]CCCCCCC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965600 589702276 /nfs/dbraw/zinc/70/22/76/589702276.db2.gz SJTHJCNOAQKKNJ-PHIMTYICSA-N 2 0 227.352 0.749 20 0 BCADRP [NH3+]CC1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCCC1 ZINC000870965995 589702322 /nfs/dbraw/zinc/70/23/22/589702322.db2.gz ZCUVLPYSEFHYFS-AOOOYVTPSA-N 2 0 225.336 0.359 20 0 BCADRP [NH3+]C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000870965888 589702498 /nfs/dbraw/zinc/70/24/98/589702498.db2.gz WYNFUZVTBKTDNG-KGYLQXTDSA-N 2 0 247.342 0.582 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870971320 589703129 /nfs/dbraw/zinc/70/31/29/589703129.db2.gz ZHNISZDMLMQSDC-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870971740 589703260 /nfs/dbraw/zinc/70/32/60/589703260.db2.gz HMJHJHWZPLSBGS-GWOFURMSSA-N 2 0 225.336 0.228 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972116 589703659 /nfs/dbraw/zinc/70/36/59/589703659.db2.gz SEBATGMCARTUKJ-OPRDCNLKSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974533 589703929 /nfs/dbraw/zinc/70/39/29/589703929.db2.gz MTRZGSIOLLFQMS-JGPRNRPPSA-N 2 0 225.336 0.372 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH3+])CC[C@@H]21 ZINC000870981051 589704371 /nfs/dbraw/zinc/70/43/71/589704371.db2.gz FMFDSKMOAGJPCI-MNOVXSKESA-N 2 0 225.336 0.278 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)[NH3+])CC[C@@H]21 ZINC000870980762 589704422 /nfs/dbraw/zinc/70/44/22/589704422.db2.gz BPBOLITWLAFOQZ-MNOVXSKESA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870981531 589704619 /nfs/dbraw/zinc/70/46/19/589704619.db2.gz JGKAZQOBRMKGBL-TUAOUCFPSA-N 2 0 239.363 0.522 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870981596 589704715 /nfs/dbraw/zinc/70/47/15/589704715.db2.gz JOMIBEZKXVQGRG-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870983068 589705030 /nfs/dbraw/zinc/70/50/30/589705030.db2.gz SIDKKOQXTOFJRI-HBNTYKKESA-N 2 0 225.336 0.147 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870983125 589705097 /nfs/dbraw/zinc/70/50/97/589705097.db2.gz SWDDEGQPUDOTFE-NEPJUHHUSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870983278 589705312 /nfs/dbraw/zinc/70/53/12/589705312.db2.gz URCQBMKJBQECQS-SRVKXCTJSA-N 2 0 239.363 0.395 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870983064 589705427 /nfs/dbraw/zinc/70/54/27/589705427.db2.gz SIDKKOQXTOFJRI-DCAQKATOSA-N 2 0 225.336 0.147 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870986111 589705762 /nfs/dbraw/zinc/70/57/62/589705762.db2.gz FJUHHOBFJMWDIZ-ONGXEEELSA-N 2 0 227.352 0.474 20 0 BCADRP CC[C@@H](C(=O)N[C@H](C)C1CC[NH2+]CC1)[NH+](C)C ZINC000870985454 589706422 /nfs/dbraw/zinc/70/64/22/589706422.db2.gz DEOMRNFEXFBXRT-PWSUYJOCSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870988348 589707173 /nfs/dbraw/zinc/70/71/73/589707173.db2.gz NHQBHJLVNICZML-CMPLNLGQSA-N 2 0 241.379 0.864 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870994916 589707826 /nfs/dbraw/zinc/70/78/26/589707826.db2.gz YDSDFMKJZQOIDK-GWCFXTLKSA-N 2 0 241.379 0.947 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870993642 589708131 /nfs/dbraw/zinc/70/81/31/589708131.db2.gz JXFAFFMSEOAFLJ-CYBMUJFWSA-N 2 0 241.379 0.819 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000871005879 589708825 /nfs/dbraw/zinc/70/88/25/589708825.db2.gz IIINHDFFTWJERE-WZRBSPASSA-N 2 0 237.347 0.326 20 0 BCADRP CC[NH+](CC)CCCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000123532396 589747496 /nfs/dbraw/zinc/74/74/96/589747496.db2.gz YHVWUBXHXWXEOV-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH+](C)CCCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000123542448 589748546 /nfs/dbraw/zinc/74/85/46/589748546.db2.gz HHMSFXKKNRRYOY-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP COCCN(C)C(=[NH2+])NC[C@H](C1CC1)[NH+](C)C ZINC000871604005 589769956 /nfs/dbraw/zinc/76/99/56/589769956.db2.gz PNJYXZGNXRFWMG-LLVKDONJSA-N 2 0 242.367 0.429 20 0 BCADRP CCC[N@H+](CC)CCNC(=[NH2+])N(C)CCOC ZINC000871603681 589774361 /nfs/dbraw/zinc/77/43/61/589774361.db2.gz CUJKEZVZNBQDTN-UHFFFAOYSA-N 2 0 244.383 0.821 20 0 BCADRP COCCN(C)C(=[NH2+])NCC1([NH+](C)C)CCC1 ZINC000871605846 589775178 /nfs/dbraw/zinc/77/51/78/589775178.db2.gz OSXMUFZPUCMSMC-UHFFFAOYSA-N 2 0 242.367 0.573 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000871982554 589852768 /nfs/dbraw/zinc/85/27/68/589852768.db2.gz TXRJVWUBJJFUFR-GRYCIOLGSA-N 2 0 244.379 0.438 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1CCc3ncnn31)C2 ZINC000872153970 589884990 /nfs/dbraw/zinc/88/49/90/589884990.db2.gz KXDPAKCGMNOKFC-GMXVVIOVSA-N 2 0 247.346 0.307 20 0 BCADRP OCC1(CO)CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000872146495 589885476 /nfs/dbraw/zinc/88/54/76/589885476.db2.gz PEOQSAGNUUASPG-UHFFFAOYSA-N 2 0 242.363 0.053 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000872154150 589885772 /nfs/dbraw/zinc/88/57/72/589885772.db2.gz PDFICPXOGYVCRX-MELADBBJSA-N 3 0 237.391 0.917 20 0 BCADRP COCC1([N@H+](C)CCOCC[NH3+])CCC1 ZINC000872157602 589886081 /nfs/dbraw/zinc/88/60/81/589886081.db2.gz NMNAEGYREMGRSV-UHFFFAOYSA-N 2 0 216.325 0.463 20 0 BCADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)CC(C)(C)O ZINC000872201715 589890852 /nfs/dbraw/zinc/89/08/52/589890852.db2.gz HXKXTPSUUIIIEX-WDEREUQCSA-N 2 0 232.368 0.438 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000872255705 589901134 /nfs/dbraw/zinc/90/11/34/589901134.db2.gz CILWSTGCNGEGOR-SDDRHHMPSA-N 2 0 239.363 0.762 20 0 BCADRP CN(C(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[C@H]1CC[NH2+]C1 ZINC000872258010 589901388 /nfs/dbraw/zinc/90/13/88/589901388.db2.gz PUDUWPPLCLPHRO-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@H]1C ZINC000872288507 589906378 /nfs/dbraw/zinc/90/63/78/589906378.db2.gz MUYLHURHHDPRIA-JPYZYGQNSA-N 2 0 237.347 0.323 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872289769 589906481 /nfs/dbraw/zinc/90/64/81/589906481.db2.gz DBSPNASCERFQMF-USZNOCQGSA-N 2 0 239.363 0.842 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])C1CC1 ZINC000872287629 589906821 /nfs/dbraw/zinc/90/68/21/589906821.db2.gz BXFCHLGKYUNXQW-WOPDTQHZSA-N 2 0 239.363 0.748 20 0 BCADRP CN(CC[NH3+])C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872300715 589907746 /nfs/dbraw/zinc/90/77/46/589907746.db2.gz ZXTNXPYNFODMHN-ZJUUUORDSA-N 2 0 213.325 0.311 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000872297579 589907937 /nfs/dbraw/zinc/90/79/37/589907937.db2.gz QVKOGKVPCBYZGG-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[NH2+]CCC1(C)C ZINC000872298803 589907967 /nfs/dbraw/zinc/90/79/67/589907967.db2.gz UIRVMGMOAIRGIW-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872300792 589907978 /nfs/dbraw/zinc/90/79/78/589907978.db2.gz MKCYTRMYCIQVRG-PPRSSJNSSA-N 2 0 225.336 0.356 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCCC[NH2+]C2CC2)C1 ZINC000872299957 589908102 /nfs/dbraw/zinc/90/81/02/589908102.db2.gz FHXSNEWBFJTVAL-OPQQBVKSSA-N 2 0 237.347 0.372 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000872307435 589908658 /nfs/dbraw/zinc/90/86/58/589908658.db2.gz VHYOOBAGJBDIIP-SRRSOLGSSA-N 2 0 249.358 0.515 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000124090178 589940595 /nfs/dbraw/zinc/94/05/95/589940595.db2.gz LLZOFOLCNBVRLH-VXGBXAGGSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+]CC1CC[NH+](Cc2cnc(N)cn2)CC1 ZINC000873202278 589992791 /nfs/dbraw/zinc/99/27/91/589992791.db2.gz VKNUTQADRJOCKM-UHFFFAOYSA-N 2 0 235.335 0.490 20 0 BCADRP C[C@H](C[NH3+])NCc1cc2c(s1)CC[NH2+]C2 ZINC000873211855 589996050 /nfs/dbraw/zinc/99/60/50/589996050.db2.gz FKFBQSWCIDHRCW-MRVPVSSYSA-N 2 0 225.361 0.831 20 0 BCADRP O=C1CCC2=C(CCN(CC34CC(C3)C[NH2+]4)C2)N1 ZINC000873213751 589996787 /nfs/dbraw/zinc/99/67/87/589996787.db2.gz OSEJAQFEKUWEIK-UHFFFAOYSA-N 2 0 247.342 0.608 20 0 BCADRP C[C@@H]1CCN(Cc2cnc(N)cn2)C[C@@H]1C[NH3+] ZINC000873214006 589996859 /nfs/dbraw/zinc/99/68/59/589996859.db2.gz ULIXFOVPWOUTOK-ZJUUUORDSA-N 2 0 235.335 0.476 20 0 BCADRP C[C@@H]1C[C@@H](C)N(Cc2cnc(N)cn2)C[C@@H]1C[NH3+] ZINC000873213658 589996879 /nfs/dbraw/zinc/99/68/79/589996879.db2.gz LGGFECDYNIREGS-MXWKQRLJSA-N 2 0 249.362 0.864 20 0 BCADRP C[C@@H]1C[C@H](C)N(Cc2cnc(N)cn2)C[C@H]1C[NH3+] ZINC000873213659 589997575 /nfs/dbraw/zinc/99/75/75/589997575.db2.gz LGGFECDYNIREGS-OUAUKWLOSA-N 2 0 249.362 0.864 20 0 BCADRP C([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)C1CC[NH2+]CC1 ZINC000873217427 589998158 /nfs/dbraw/zinc/99/81/58/589998158.db2.gz MEUTZKVZRGPMLG-YHQUGGNUSA-N 2 0 236.359 0.999 20 0 BCADRP CC(C)([NH3+])CN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000873228263 590000641 /nfs/dbraw/zinc/00/06/41/590000641.db2.gz RAPUSTQJVGSWCR-SFYZADRCSA-N 2 0 239.285 0.793 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873229401 590001980 /nfs/dbraw/zinc/00/19/80/590001980.db2.gz WRRLTSHFNURBML-RWMBFGLXSA-N 2 0 225.380 0.901 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000873245987 590006390 /nfs/dbraw/zinc/00/63/90/590006390.db2.gz QVJGULSJBWXKCF-WDEREUQCSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CN1C1CC1 ZINC000873255697 590010931 /nfs/dbraw/zinc/01/09/31/590010931.db2.gz IHOWCSVJMMMFAC-DDHJBXDOSA-N 2 0 223.364 0.939 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000873255971 590011105 /nfs/dbraw/zinc/01/11/05/590011105.db2.gz KGLJNMWLYHXWJE-LPWJVIDDSA-N 3 0 223.364 0.940 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000873256535 590011414 /nfs/dbraw/zinc/01/14/14/590011414.db2.gz OYBZJBKTPKJQEN-FIQHERPVSA-N 3 0 211.353 0.973 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256947 590011702 /nfs/dbraw/zinc/01/17/02/590011702.db2.gz RJMRALJIXPPOII-DDHJBXDOSA-N 3 0 211.353 0.701 20 0 BCADRP CC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000873257764 590012038 /nfs/dbraw/zinc/01/20/38/590012038.db2.gz XBTBGHSHSSDCID-KKOKHZNYSA-N 3 0 211.353 0.844 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000873257668 590012121 /nfs/dbraw/zinc/01/21/21/590012121.db2.gz WFONOBXHRFNDRL-PJSNJIKXSA-N 3 0 223.364 0.701 20 0 BCADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873258548 590012740 /nfs/dbraw/zinc/01/27/40/590012740.db2.gz RUNZQBYHENNYGN-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP COC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)C1CCOCC1 ZINC000873258474 590012804 /nfs/dbraw/zinc/01/28/04/590012804.db2.gz RGIUMKJRDDLEIM-DRZSPHRISA-N 2 0 242.363 0.755 20 0 BCADRP C[C@@H]([NH2+][C@H]1CCC[C@H]1[NH3+])C1CC[NH2+]CC1 ZINC000873269257 590015377 /nfs/dbraw/zinc/01/53/77/590015377.db2.gz FFKIDKBPSUTFHG-JLLWLGSASA-N 3 0 211.353 0.844 20 0 BCADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)C1C[NH2+]C1 ZINC000873269038 590015460 /nfs/dbraw/zinc/01/54/60/590015460.db2.gz CEWNCIHQMXRUKR-NXEZZACHSA-N 3 0 211.353 0.572 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873271836 590016002 /nfs/dbraw/zinc/01/60/02/590016002.db2.gz MIOYVKGHXXYENN-WCQYABFASA-N 3 0 243.395 0.718 20 0 BCADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1[NH3+])C1CC[NH2+]CC1 ZINC000873271150 590016434 /nfs/dbraw/zinc/01/64/34/590016434.db2.gz FFKIDKBPSUTFHG-ZMLRMANQSA-N 3 0 211.353 0.844 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccnn1C ZINC000873274183 590016679 /nfs/dbraw/zinc/01/66/79/590016679.db2.gz BJXNGJDXCCDODV-QWRGUYRKSA-N 2 0 240.351 0.825 20 0 BCADRP CC(C)[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC000873992816 590084139 /nfs/dbraw/zinc/08/41/39/590084139.db2.gz FOQMEGYOBCTMQM-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000874300736 590102792 /nfs/dbraw/zinc/10/27/92/590102792.db2.gz ACSYKWIMVDDBGU-GFCCVEGCSA-N 2 0 239.363 0.635 20 0 BCADRP CC[NH+](CC)CCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000874430512 590109413 /nfs/dbraw/zinc/10/94/13/590109413.db2.gz LIOLMQGXBMAUHI-PHIMTYICSA-N 2 0 242.367 0.365 20 0 BCADRP CC(C)[C@@H](C[NH+](C)C)NC(=O)C[NH+]1CCCC1 ZINC000874468489 590113835 /nfs/dbraw/zinc/11/38/35/590113835.db2.gz IZZCKGJYTQGMEX-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C[NH+]1CCCC1 ZINC000874470999 590114481 /nfs/dbraw/zinc/11/44/81/590114481.db2.gz SWUUUXPJORZIKI-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCCC1CC[NH+](C)CC1 ZINC000125139809 590126321 /nfs/dbraw/zinc/12/63/21/590126321.db2.gz BGRABBHQFMTCSX-SNVBAGLBSA-N 2 0 227.352 0.429 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C)[NH+](C)C ZINC000874822161 590141327 /nfs/dbraw/zinc/14/13/27/590141327.db2.gz GKIBRNVPZUCDEM-IJLUTSLNSA-N 2 0 239.363 0.632 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C)[NH+](C)C ZINC000874822163 590141676 /nfs/dbraw/zinc/14/16/76/590141676.db2.gz GKIBRNVPZUCDEM-SDDRHHMPSA-N 2 0 239.363 0.632 20 0 BCADRP C[NH+](C)C[C@](C)(O)C[NH2+]C1CCCC1 ZINC000125898149 590196174 /nfs/dbraw/zinc/19/61/74/590196174.db2.gz PFEUXHINWBJXKW-LLVKDONJSA-N 2 0 200.326 0.831 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000876501509 590203103 /nfs/dbraw/zinc/20/31/03/590203103.db2.gz PPLJICPGNKCTTM-KXUCPTDWSA-N 2 0 225.336 0.310 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000876501411 590203282 /nfs/dbraw/zinc/20/32/82/590203282.db2.gz OMKAFFBGXUBFBS-WEVUVTRCSA-N 2 0 237.347 0.348 20 0 BCADRP [NH3+]C1CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC000876502247 590203571 /nfs/dbraw/zinc/20/35/71/590203571.db2.gz WXZYJMLBOVGZON-DLRQAJBASA-N 2 0 237.347 0.492 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000876505830 590204602 /nfs/dbraw/zinc/20/46/02/590204602.db2.gz KWHIIBIKJJFACT-WZRBSPASSA-N 2 0 237.347 0.339 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876509698 590204835 /nfs/dbraw/zinc/20/48/35/590204835.db2.gz MUYWEUUEUWMVQG-UWVGGRQHSA-N 2 0 231.315 0.050 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876507965 590205005 /nfs/dbraw/zinc/20/50/05/590205005.db2.gz QVPVEWBZPNVXPS-DTWKUNHWSA-N 2 0 213.325 0.086 20 0 BCADRP C[NH2+]CCCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876507761 590204889 /nfs/dbraw/zinc/20/48/89/590204889.db2.gz MQBHGRKLJPYSAA-PWSUYJOCSA-N 2 0 225.336 0.244 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876509194 590204905 /nfs/dbraw/zinc/20/49/05/590204905.db2.gz BYMLZOBTRPUQEM-YPMHNXCESA-N 2 0 239.363 0.634 20 0 BCADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000876508545 590205001 /nfs/dbraw/zinc/20/50/01/590205001.db2.gz PMCRLHIANDCWCB-CYLBZQBVSA-N 2 0 237.347 0.410 20 0 BCADRP CN(C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)C1CC[NH2+]CC1 ZINC000876510653 590205315 /nfs/dbraw/zinc/20/53/15/590205315.db2.gz XFEZKVAOMDJFRX-QWRGUYRKSA-N 2 0 239.363 0.570 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876513744 590206000 /nfs/dbraw/zinc/20/60/00/590206000.db2.gz IAFPXAWHXUHINW-OUAUKWLOSA-N 2 0 243.326 0.192 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000876518285 590206817 /nfs/dbraw/zinc/20/68/17/590206817.db2.gz OZRMEXCPCPARRQ-KXUCPTDWSA-N 2 0 225.336 0.167 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000876517973 590206822 /nfs/dbraw/zinc/20/68/22/590206822.db2.gz IGLFCAQJUOMWDC-HBNTYKKESA-N 2 0 243.326 0.144 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000876522022 590207338 /nfs/dbraw/zinc/20/73/38/590207338.db2.gz FGMDWWVFUJVTAV-LPEHRKFASA-N 2 0 225.336 0.228 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000876521929 590207499 /nfs/dbraw/zinc/20/74/99/590207499.db2.gz BVXOCUHEJUAQLE-NXEZZACHSA-N 2 0 225.336 0.228 20 0 BCADRP CC[NH2+]CCNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876521696 590207544 /nfs/dbraw/zinc/20/75/44/590207544.db2.gz UTVKJDASXWXNFV-MVIFTORASA-N 2 0 225.336 0.268 20 0 BCADRP CC(C)(C[NH3+])NC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876523772 590207846 /nfs/dbraw/zinc/20/78/46/590207846.db2.gz DDHUMQPXAYRAAH-PORFMDCZSA-N 2 0 225.336 0.396 20 0 BCADRP CC(C)(C[NH3+])NC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876523770 590207941 /nfs/dbraw/zinc/20/79/41/590207941.db2.gz DDHUMQPXAYRAAH-BRAIEQGRSA-N 2 0 225.336 0.396 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876522575 590207993 /nfs/dbraw/zinc/20/79/93/590207993.db2.gz WBYUHGFPZOTBBV-WZRBSPASSA-N 2 0 237.347 0.387 20 0 BCADRP CN(C(=O)/C=C\[C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000876528636 590209131 /nfs/dbraw/zinc/20/91/31/590209131.db2.gz UAHMIFDYOCALHH-DFPOMNKCSA-N 2 0 237.347 0.363 20 0 BCADRP CN(C(=O)[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CC[NH2+]C1 ZINC000876528495 590209222 /nfs/dbraw/zinc/20/92/22/590209222.db2.gz RMOPLSMRMMWDMC-WZRBSPASSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000876526801 590209258 /nfs/dbraw/zinc/20/92/58/590209258.db2.gz GPQTWGCBDMGHBJ-GARJFASQSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C1CC1 ZINC000876529046 590209522 /nfs/dbraw/zinc/20/95/22/590209522.db2.gz DBZLFQURPYRSCS-NRPADANISA-N 2 0 247.289 0.070 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)C[C@H](C)[NH2+]1 ZINC000876529735 590209709 /nfs/dbraw/zinc/20/97/09/590209709.db2.gz GIPVTVWGFQPGNE-ZRUFSTJUSA-N 2 0 239.363 0.569 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876531730 590210384 /nfs/dbraw/zinc/21/03/84/590210384.db2.gz NKUZLHUXVXDNPI-XIJCSBCJSA-N 2 0 225.336 0.348 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876532024 590210418 /nfs/dbraw/zinc/21/04/18/590210418.db2.gz AQZBWXNOJMVGKQ-OUAUKWLOSA-N 2 0 241.379 0.849 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876532023 590210475 /nfs/dbraw/zinc/21/04/75/590210475.db2.gz AQZBWXNOJMVGKQ-MXWKQRLJSA-N 2 0 241.379 0.849 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876534257 590210627 /nfs/dbraw/zinc/21/06/27/590210627.db2.gz ASQVOZIOVLQUST-GVXVVHGQSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)CC[NH2+]CC1CC1 ZINC000876534392 590210783 /nfs/dbraw/zinc/21/07/83/590210783.db2.gz BYQOTURJOUCOPW-ZDUSSCGKSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876534845 590210884 /nfs/dbraw/zinc/21/08/84/590210884.db2.gz UGBBAGFBVGWEEF-AEJSXWLSSA-N 2 0 231.315 0.034 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876538528 590211547 /nfs/dbraw/zinc/21/15/47/590211547.db2.gz SDQJFWFTDTWLGM-VHSXEESVSA-N 2 0 243.326 0.144 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876538550 590211653 /nfs/dbraw/zinc/21/16/53/590211653.db2.gz KLRNPOOSXPITBV-HTQZYQBOSA-N 2 0 213.325 0.213 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876540967 590212282 /nfs/dbraw/zinc/21/22/82/590212282.db2.gz SSTJULUXKUODCQ-YUMQZZPRSA-N 2 0 249.305 0.270 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876540105 590212287 /nfs/dbraw/zinc/21/22/87/590212287.db2.gz FTWSXKCKRWRKTM-DCAQKATOSA-N 2 0 239.363 0.570 20 0 BCADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000126090680 590229040 /nfs/dbraw/zinc/22/90/40/590229040.db2.gz JZPWVHZIXYDHKP-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1CC[NH2+]C1 ZINC000126090871 590229045 /nfs/dbraw/zinc/22/90/45/590229045.db2.gz JZPWVHZIXYDHKP-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876711198 590232767 /nfs/dbraw/zinc/23/27/67/590232767.db2.gz UQSKBJCUFOCDOV-UWVGGRQHSA-N 2 0 241.379 0.816 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876711200 590232780 /nfs/dbraw/zinc/23/27/80/590232780.db2.gz UQSKBJCUFOCDOV-VHSXEESVSA-N 2 0 241.379 0.816 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876726199 590233160 /nfs/dbraw/zinc/23/31/60/590233160.db2.gz VSHMPTHDEXMYRG-WDEREUQCSA-N 2 0 245.342 0.392 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876725090 590233687 /nfs/dbraw/zinc/23/36/87/590233687.db2.gz DXSREIHJUVEVTB-TXEJJXNPSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)[NH+](C)C ZINC000876734157 590234198 /nfs/dbraw/zinc/23/41/98/590234198.db2.gz BDJOPAUJBPNJOR-LOWVWBTDSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)C1 ZINC000876733822 590234360 /nfs/dbraw/zinc/23/43/60/590234360.db2.gz IKHMPZRHNKRLFN-OUAUKWLOSA-N 2 0 243.326 0.144 20 0 BCADRP Cc1cnccc1NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876753482 590238179 /nfs/dbraw/zinc/23/81/79/590238179.db2.gz LKCDOMOIXYPBNH-GXSJLCMTSA-N 2 0 237.278 0.698 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876787709 590240878 /nfs/dbraw/zinc/24/08/78/590240878.db2.gz UJKKQCQNODBHKE-IWSPIJDZSA-N 2 0 213.325 0.071 20 0 BCADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000876788984 590241065 /nfs/dbraw/zinc/24/10/65/590241065.db2.gz PMCRLHIANDCWCB-DUVUQDDDSA-N 2 0 237.347 0.410 20 0 BCADRP [NH3+][C@H](CNC(=O)/C=C/[C@H]1CCC[NH2+]C1)C1CC1 ZINC000876790645 590241307 /nfs/dbraw/zinc/24/13/07/590241307.db2.gz AEFNZRRNFYGYCP-HLPWOGIRSA-N 2 0 237.347 0.396 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC000876790894 590241499 /nfs/dbraw/zinc/24/14/99/590241499.db2.gz FOXOEPWETZUQKU-LOWVWBTDSA-N 2 0 237.347 0.372 20 0 BCADRP C[NH2+]CCN(C)C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876791314 590241504 /nfs/dbraw/zinc/24/15/04/590241504.db2.gz CAFPCZMWMIYDJC-QRGHLMKCSA-N 2 0 225.336 0.220 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876789683 590241603 /nfs/dbraw/zinc/24/16/03/590241603.db2.gz GBWGLICJEYSOJD-NXEZZACHSA-N 2 0 231.315 0.050 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876797382 590242559 /nfs/dbraw/zinc/24/25/59/590242559.db2.gz TVXXORWGHDHBRB-UMNHJUIQSA-N 2 0 225.336 0.372 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000876797591 590242705 /nfs/dbraw/zinc/24/27/05/590242705.db2.gz VKZNQOCUNCZCIX-BJPDOBEOSA-N 2 0 225.336 0.252 20 0 BCADRP [NH3+]C1(CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)CCC1 ZINC000876798842 590242706 /nfs/dbraw/zinc/24/27/06/590242706.db2.gz PYKUVFFQDVWVAC-ZWNMCFTASA-N 2 0 237.347 0.540 20 0 BCADRP [NH3+]C1(CNC(=O)/C=C\[C@H]2CCC[NH2+]C2)CCC1 ZINC000876798839 590242726 /nfs/dbraw/zinc/24/27/26/590242726.db2.gz PYKUVFFQDVWVAC-DOGVGXBMSA-N 2 0 237.347 0.540 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876797381 590242860 /nfs/dbraw/zinc/24/28/60/590242860.db2.gz TVXXORWGHDHBRB-FOGDFJRCSA-N 2 0 225.336 0.372 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876806262 590244337 /nfs/dbraw/zinc/24/43/37/590244337.db2.gz MIUOTZGULWNZFF-QWRGUYRKSA-N 2 0 239.363 0.524 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876809102 590245033 /nfs/dbraw/zinc/24/50/33/590245033.db2.gz CQAUBJGFGQHTAV-OCCSQVGLSA-N 2 0 249.358 0.555 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876813898 590245303 /nfs/dbraw/zinc/24/53/03/590245303.db2.gz YIZVRCVKYDJVKS-ZNSHCXBVSA-N 2 0 243.326 0.048 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876813896 590245384 /nfs/dbraw/zinc/24/53/84/590245384.db2.gz YIZVRCVKYDJVKS-VPOLOUISSA-N 2 0 243.326 0.048 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000876829759 590246654 /nfs/dbraw/zinc/24/66/54/590246654.db2.gz XYYNJVUGQVIPNK-LNFKQOIKSA-N 2 0 239.363 0.746 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1(F)F ZINC000876828541 590246843 /nfs/dbraw/zinc/24/68/43/590246843.db2.gz APSFKOQZFALNSZ-BZNPZCIMSA-N 2 0 247.289 0.213 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH3+] ZINC000876829459 590247023 /nfs/dbraw/zinc/24/70/23/590247023.db2.gz IYLLGUBZCMOATM-IUCAKERBSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876833829 590247985 /nfs/dbraw/zinc/24/79/85/590247985.db2.gz YGXBXDWVYYROAS-VLEAKVRGSA-N 2 0 239.363 0.569 20 0 BCADRP C[C@H]([NH3+])CNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876836327 590248020 /nfs/dbraw/zinc/24/80/20/590248020.db2.gz UNNUDCBNODNONC-OCIBVNFRSA-N 2 0 211.309 0.006 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876846344 590248727 /nfs/dbraw/zinc/24/87/27/590248727.db2.gz AWYXDTZMLHFOQQ-BDAKNGLRSA-N 2 0 213.325 0.038 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000876843712 590248949 /nfs/dbraw/zinc/24/89/49/590248949.db2.gz SWDSCMKAYJVQRL-JSGCOSHPSA-N 2 0 249.358 0.636 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000876843714 590248998 /nfs/dbraw/zinc/24/89/98/590248998.db2.gz SWDSCMKAYJVQRL-TZMCWYRMSA-N 2 0 249.358 0.636 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876853872 590250048 /nfs/dbraw/zinc/25/00/48/590250048.db2.gz AVGTZNQPVKQFIK-VWYCJHECSA-N 2 0 245.342 0.568 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCC[NH2+]1 ZINC000876856283 590250051 /nfs/dbraw/zinc/25/00/51/590250051.db2.gz DSWBQUCXZAMREG-MDZLAQPJSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876854225 590250113 /nfs/dbraw/zinc/25/01/13/590250113.db2.gz GHCRMRAKFCKZAS-VGMNWLOBSA-N 2 0 249.305 0.460 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000876861239 590250517 /nfs/dbraw/zinc/25/05/17/590250517.db2.gz UNZRDUJGKSICAL-VSABVBBVSA-N 2 0 225.336 0.250 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876860696 590250519 /nfs/dbraw/zinc/25/05/19/590250519.db2.gz HKJYSTOPLCNNPQ-BFLSOPEQSA-N 2 0 225.336 0.371 20 0 BCADRP CN(C(=O)/C=C\[C@@H]1CCC[NH2+]C1)C1CC([NH3+])C1 ZINC000876862889 590250842 /nfs/dbraw/zinc/25/08/42/590250842.db2.gz WUESWBICKXKJGQ-TUUNCMNISA-N 2 0 237.347 0.490 20 0 BCADRP CN(C(=O)/C=C\[C@H]1CCC[NH2+]C1)C1CC([NH3+])C1 ZINC000876862887 590250853 /nfs/dbraw/zinc/25/08/53/590250853.db2.gz WUESWBICKXKJGQ-BMVWSZMWSA-N 2 0 237.347 0.490 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876863859 590251039 /nfs/dbraw/zinc/25/10/39/590251039.db2.gz LBEYMJXSHNQNQL-UMNHJUIQSA-N 2 0 225.336 0.372 20 0 BCADRP CN(C(=O)[C@H](F)[C@H]1CC[NH2+]C1)C1(C[NH3+])CCC1 ZINC000876867829 590251467 /nfs/dbraw/zinc/25/14/67/590251467.db2.gz NGJMSXHPMLEDSB-VHSXEESVSA-N 2 0 243.326 0.274 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000876870307 590251613 /nfs/dbraw/zinc/25/16/13/590251613.db2.gz LXHFRAWITVYNDQ-LNFKQOIKSA-N 2 0 239.363 0.603 20 0 BCADRP C[C@@]1(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000876870860 590251745 /nfs/dbraw/zinc/25/17/45/590251745.db2.gz RJVYQLCPBYJGSL-SCVCMEIPSA-N 2 0 225.336 0.372 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876871998 590252007 /nfs/dbraw/zinc/25/20/07/590252007.db2.gz QFRVFESDTOKZHR-RNJXMRFFSA-N 2 0 247.289 0.083 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876871063 590252021 /nfs/dbraw/zinc/25/20/21/590252021.db2.gz PLAVMDYMJGUNJX-CHWFTXMASA-N 2 0 237.347 0.180 20 0 BCADRP O=C(C=C[C@H]1CCC[NH2+]C1)NCc1c[nH]cn1 ZINC000876882502 590252708 /nfs/dbraw/zinc/25/27/08/590252708.db2.gz JTIOERFAVGMCNV-HMDXOVGESA-N 2 0 234.303 0.582 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876922439 590257167 /nfs/dbraw/zinc/25/71/67/590257167.db2.gz ZKUWKIFNWFQUTR-ZJUUUORDSA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876927087 590257883 /nfs/dbraw/zinc/25/78/83/590257883.db2.gz QEYOHUHXZRTTGM-MFKMUULPSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876927823 590258175 /nfs/dbraw/zinc/25/81/75/590258175.db2.gz MZIQEVDXNXODDM-IUCAKERBSA-N 2 0 231.315 0.178 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000876948985 590260001 /nfs/dbraw/zinc/26/00/01/590260001.db2.gz YFRZUUGRFDGWTR-NXEZZACHSA-N 2 0 239.363 0.605 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)NCC2([NH3+])CCCC2)C1(F)F ZINC000876964032 590261901 /nfs/dbraw/zinc/26/19/01/590261901.db2.gz PJYGJMNDQWAVOZ-HTQZYQBOSA-N 2 0 247.289 0.214 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876977527 590264020 /nfs/dbraw/zinc/26/40/20/590264020.db2.gz WIACUJMQRIBXIA-YIZRAAEISA-N 2 0 249.305 0.316 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876977809 590264033 /nfs/dbraw/zinc/26/40/33/590264033.db2.gz FYURYQUOJCGJRD-PZIAFJOJSA-N 2 0 225.336 0.266 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000876978712 590264424 /nfs/dbraw/zinc/26/44/24/590264424.db2.gz NYEBSEOMEPQIFH-ZYUZMQFOSA-N 2 0 243.326 0.258 20 0 BCADRP CC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000876996812 590266998 /nfs/dbraw/zinc/26/69/98/590266998.db2.gz FBVZUUPMAMXKGU-SNVBAGLBSA-N 2 0 213.325 0.052 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)[NH2+]C1CC1 ZINC000876998721 590267341 /nfs/dbraw/zinc/26/73/41/590267341.db2.gz QGYVVQRLSYWTCX-JQWIXIFHSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C=C1CC[NH2+]CC1 ZINC000877023341 590270277 /nfs/dbraw/zinc/27/02/77/590270277.db2.gz NUXDZUYYRDBKCR-NWDGAFQWSA-N 2 0 237.347 0.553 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)CC[NH2+]CC2CC2)C[NH2+]1 ZINC000877052108 590274743 /nfs/dbraw/zinc/27/47/43/590274743.db2.gz PLDOGTKDZWEUPV-JQWIXIFHSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)CC[NH2+]CC2CC2)C[NH2+]1 ZINC000877052110 590274791 /nfs/dbraw/zinc/27/47/91/590274791.db2.gz PLDOGTKDZWEUPV-PWSUYJOCSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)C[C@H]([NH3+])C2CC2)C[NH2+]1 ZINC000877052929 590275330 /nfs/dbraw/zinc/27/53/30/590275330.db2.gz YQAUVBNCHLCPKD-MIMYLULJSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)C1(C[NH3+])CCCC1 ZINC000877095937 590279129 /nfs/dbraw/zinc/27/91/29/590279129.db2.gz VLTGEYPWLFCZQA-VIFPVBQESA-N 2 0 213.325 0.311 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877096167 590281901 /nfs/dbraw/zinc/28/19/01/590281901.db2.gz ZGSXOBQIURBEIC-WAAKLRNESA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)[NH2+]CCC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877095079 590281958 /nfs/dbraw/zinc/28/19/58/590281958.db2.gz IDFJCAZCOREJQD-SECBINFHSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)CCC(C)(C)[NH3+] ZINC000877095245 590282151 /nfs/dbraw/zinc/28/21/51/590282151.db2.gz JISPLBWABNYNDN-QMMMGPOBSA-N 2 0 201.314 0.310 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)c1cccc(C[NH3+])c1 ZINC000877103264 590283663 /nfs/dbraw/zinc/28/36/63/590283663.db2.gz SIEJLJJWPSMNTR-VIFPVBQESA-N 2 0 221.304 0.565 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000877102676 590283721 /nfs/dbraw/zinc/28/37/21/590283721.db2.gz LAORDQKEHWPHND-HBNTYKKESA-N 2 0 227.352 0.665 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C[C@H](C)[NH3+] ZINC000877102702 590283810 /nfs/dbraw/zinc/28/38/10/590283810.db2.gz MFVONGCVWYCDHK-AEJSXWLSSA-N 2 0 213.325 0.180 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH3+] ZINC000877103481 590283818 /nfs/dbraw/zinc/28/38/18/590283818.db2.gz VJUGXGBXXGYCHQ-VIFPVBQESA-N 2 0 201.314 0.134 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000877102467 590283848 /nfs/dbraw/zinc/28/38/48/590283848.db2.gz ISZPPXCGKJLMHR-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877103074 590283932 /nfs/dbraw/zinc/28/39/32/590283932.db2.gz PVRGIPJJKXBTQD-UWVGGRQHSA-N 2 0 229.368 0.816 20 0 BCADRP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH3+])[NH+](C)C ZINC000877103642 590284001 /nfs/dbraw/zinc/28/40/01/590284001.db2.gz XBKJWWYLKQHAIA-ZJUUUORDSA-N 2 0 215.341 0.378 20 0 BCADRP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH3+])[NH+](C)C ZINC000877104350 590284007 /nfs/dbraw/zinc/28/40/07/590284007.db2.gz ANAXTRLUOFWACT-BDAKNGLRSA-N 2 0 201.314 0.132 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC000877105909 590285031 /nfs/dbraw/zinc/28/50/31/590285031.db2.gz NSJYMAFBDNYAKZ-SECBINFHSA-N 2 0 232.287 0.754 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877107470 590285636 /nfs/dbraw/zinc/28/56/36/590285636.db2.gz GKSDCSIACRDWDP-MRVPVSSYSA-N 2 0 225.292 0.466 20 0 BCADRP CC1(C)CC[C@@H](CNC(=O)C2([NH3+])CC2)[NH2+]C1 ZINC000877158416 590291813 /nfs/dbraw/zinc/29/18/13/590291813.db2.gz SIXYQINLEKYLBG-VIFPVBQESA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877155710 590293152 /nfs/dbraw/zinc/29/31/52/590293152.db2.gz WWQRPJMIYXOKLQ-WDEREUQCSA-N 2 0 241.379 0.879 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877155970 590293477 /nfs/dbraw/zinc/29/34/77/590293477.db2.gz ZQMZEISKYXLWHW-NSHDSACASA-N 2 0 241.379 0.879 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877158768 590294087 /nfs/dbraw/zinc/29/40/87/590294087.db2.gz XAYZZUQKZVVACL-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP CC1(C)CC[C@@H](CNC(=O)CCC[NH3+])[NH2+]C1 ZINC000877158230 590294192 /nfs/dbraw/zinc/29/41/92/590294192.db2.gz QGNIVMLCEFMONH-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000877172882 590294194 /nfs/dbraw/zinc/29/41/94/590294194.db2.gz UWONWPLJRZOCPX-KATARQTJSA-N 2 0 225.336 0.308 20 0 BCADRP CC1(C)CC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)[NH2+]C1 ZINC000877158653 590294195 /nfs/dbraw/zinc/29/41/95/590294195.db2.gz WNYSCEDQVXCKES-WDEREUQCSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+][C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000877170289 590296027 /nfs/dbraw/zinc/29/60/27/590296027.db2.gz MFKJFJOLZLPLJJ-AXFHLTTASA-N 2 0 223.320 0.077 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877172603 590296283 /nfs/dbraw/zinc/29/62/83/590296283.db2.gz URJMEOIVWRRGRX-ZRUFSTJUSA-N 2 0 237.347 0.323 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000877171361 590296433 /nfs/dbraw/zinc/29/64/33/590296433.db2.gz FJRNKXMPNCKRJX-GWOFURMSSA-N 2 0 225.336 0.452 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000877176237 590297137 /nfs/dbraw/zinc/29/71/37/590297137.db2.gz NOYNCVUGURSGGP-HRDYMLBCSA-N 2 0 211.309 0.075 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000877179693 590298008 /nfs/dbraw/zinc/29/80/08/590298008.db2.gz HKYYHQZRKXTFBB-CKYFFXLPSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187905 590298174 /nfs/dbraw/zinc/29/81/74/590298174.db2.gz LSNLSEWUWIRJKK-XTQFYOIMSA-N 2 0 225.336 0.452 20 0 BCADRP CC[C@@H](C(=O)N1C2CCC1(C[NH3+])CC2)[NH+](C)C ZINC000877183628 590298187 /nfs/dbraw/zinc/29/81/87/590298187.db2.gz ANWZVBKEBUTXRR-AKJDGMEZSA-N 2 0 239.363 0.809 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000877184914 590298502 /nfs/dbraw/zinc/29/85/02/590298502.db2.gz STTAPCZBSOQVJM-XSRFYTQQSA-N 2 0 235.331 0.516 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877191767 590299128 /nfs/dbraw/zinc/29/91/28/590299128.db2.gz FCHKMCBPBPSYJF-UHFFFAOYSA-N 2 0 239.363 0.857 20 0 BCADRP CC(C)([NH3+])CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877192760 590299159 /nfs/dbraw/zinc/29/91/59/590299159.db2.gz PFQIXSOHNVKWSF-UHFFFAOYSA-N 2 0 225.336 0.596 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2C3CCC2(C[NH3+])CC3)o1 ZINC000877192812 590299551 /nfs/dbraw/zinc/29/95/51/590299551.db2.gz SMDUQOAMLZUGAO-UHFFFAOYSA-N 2 0 249.314 0.834 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC1(C[NH3+])CCCCC1 ZINC000877205479 590301085 /nfs/dbraw/zinc/30/10/85/590301085.db2.gz JODDWDYGARLYON-SNVBAGLBSA-N 2 0 239.363 0.905 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877241788 590302276 /nfs/dbraw/zinc/30/22/76/590302276.db2.gz YIBYCYPPUKILRR-RGOKHQFPSA-N 2 0 225.336 0.213 20 0 BCADRP C[C@]([NH3+])(C(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000877243149 590302508 /nfs/dbraw/zinc/30/25/08/590302508.db2.gz HEZCVFBRCDBGQD-MPKXVKKWSA-N 2 0 247.342 0.714 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000877243404 590302559 /nfs/dbraw/zinc/30/25/59/590302559.db2.gz KHTREEAJRYFYES-DBIOUOCHSA-N 2 0 225.336 0.228 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242326 590302786 /nfs/dbraw/zinc/30/27/86/590302786.db2.gz AFJNGUSWPPFWCB-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000877244174 590302955 /nfs/dbraw/zinc/30/29/55/590302955.db2.gz VUWFRHGXIAYUSH-MGCOHNPYSA-N 2 0 237.347 0.502 20 0 BCADRP C[NH+](C)CC1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000877244636 590303124 /nfs/dbraw/zinc/30/31/24/590303124.db2.gz HQJDFJBVPMZDBS-MGCOHNPYSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)C1 ZINC000877244306 590303295 /nfs/dbraw/zinc/30/32/95/590303295.db2.gz AMNBVZDVBGCALK-CKOMJFDNSA-N 2 0 237.347 0.396 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000877243841 590303303 /nfs/dbraw/zinc/30/33/03/590303303.db2.gz PWYSMAAQUNJKQT-DRZSPHRISA-N 2 0 247.342 0.848 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877243863 590303330 /nfs/dbraw/zinc/30/33/30/590303330.db2.gz QRXVFYWMKXRGGA-OPRDCNLKSA-N 2 0 225.336 0.228 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)CC3([NH3+])CC3)CC[C@H]21 ZINC000877250159 590303407 /nfs/dbraw/zinc/30/34/07/590303407.db2.gz OFDRZGDITVIPCO-GHMZBOCLSA-N 2 0 237.347 0.420 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000877245838 590303468 /nfs/dbraw/zinc/30/34/68/590303468.db2.gz NSRRKILKNZAZMS-KYZUINATSA-N 2 0 211.309 0.111 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)CC3([NH3+])CC3)CC[C@@H]21 ZINC000877250161 590303611 /nfs/dbraw/zinc/30/36/11/590303611.db2.gz OFDRZGDITVIPCO-QWRGUYRKSA-N 2 0 237.347 0.420 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC[C@H]21 ZINC000877250155 590304015 /nfs/dbraw/zinc/30/40/15/590304015.db2.gz OEDDGRKZUGLKIN-CKIKVBCHSA-N 2 0 249.358 0.289 20 0 BCADRP C[C@H](NC(=O)C1([NH3+])CCCC1)C1CC[NH2+]CC1 ZINC000877254994 590304163 /nfs/dbraw/zinc/30/41/63/590304163.db2.gz LFYMGMRLPBGSDS-JTQLQIEISA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C1CC[NH2+]CC1 ZINC000877253259 590304251 /nfs/dbraw/zinc/30/42/51/590304251.db2.gz QGEODVCBTKVDDL-MWLCHTKSSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C2([NH3+])CC2)C1 ZINC000877260081 590304268 /nfs/dbraw/zinc/30/42/68/590304268.db2.gz QYRZSKOKRDGGPW-GFCCVEGCSA-N 2 0 239.363 0.701 20 0 BCADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C[NH3+])C1 ZINC000877259249 590304434 /nfs/dbraw/zinc/30/44/34/590304434.db2.gz BSYXFLCWHUNZSS-LLVKDONJSA-N 2 0 213.325 0.169 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000877264985 590305101 /nfs/dbraw/zinc/30/51/01/590305101.db2.gz DPLFGEWGHCXRTN-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000877273295 590305522 /nfs/dbraw/zinc/30/55/22/590305522.db2.gz NTDQSNDMLZEVCW-IJLUTSLNSA-N 2 0 235.331 0.387 20 0 BCADRP [NH3+]C1(CC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000877271964 590305528 /nfs/dbraw/zinc/30/55/28/590305528.db2.gz FOFLKRHMXUCIDG-ZJUUUORDSA-N 2 0 223.320 0.221 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877285033 590306942 /nfs/dbraw/zinc/30/69/42/590306942.db2.gz XSLFGAMKMGGBAM-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP [NH3+]C1(CC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CCC1 ZINC000877287254 590307304 /nfs/dbraw/zinc/30/73/04/590307304.db2.gz JRDVWAMVPOWMAM-WDEREUQCSA-N 2 0 237.347 0.611 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877287527 590307335 /nfs/dbraw/zinc/30/73/35/590307335.db2.gz LQKYJPXLVYNVJG-HBNTYKKESA-N 2 0 225.336 0.195 20 0 BCADRP O=C(N1CCC[C@@H]2[NH2+]CC[C@@H]21)[C@@]1(F)CC[NH2+]C1 ZINC000877287115 590307423 /nfs/dbraw/zinc/30/74/23/590307423.db2.gz JEQJPNQXVSOPII-JBLDHEPKSA-N 2 0 241.310 0.041 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877288095 590307448 /nfs/dbraw/zinc/30/74/48/590307448.db2.gz NKWYPALIOFELHZ-VHSXEESVSA-N 2 0 211.309 0.078 20 0 BCADRP CC1(C)[C@H](C(=O)N[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1[NH3+] ZINC000877293352 590307735 /nfs/dbraw/zinc/30/77/35/590307735.db2.gz MLBNZFOABGEQJJ-NAKRPEOUSA-N 2 0 239.363 0.746 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000877291942 590307752 /nfs/dbraw/zinc/30/77/52/590307752.db2.gz RTVNXHIZUOKOIN-FXPVBKGRSA-N 2 0 229.299 0.074 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877341025 590317627 /nfs/dbraw/zinc/31/76/27/590317627.db2.gz SZNAXIYKAXTSGP-GWCFXTLKSA-N 2 0 247.342 0.554 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877341027 590317717 /nfs/dbraw/zinc/31/77/17/590317717.db2.gz SZNAXIYKAXTSGP-GXFFZTMASA-N 2 0 247.342 0.554 20 0 BCADRP C[NH2+]CC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877346777 590318804 /nfs/dbraw/zinc/31/88/04/590318804.db2.gz NBRFEFXROJXHFH-GFCCVEGCSA-N 2 0 233.315 0.037 20 0 BCADRP [NH3+]CCC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877346838 590319061 /nfs/dbraw/zinc/31/90/61/590319061.db2.gz IQUOIMPDROZBGX-LBPRGKRZSA-N 2 0 233.315 0.166 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877375225 590319667 /nfs/dbraw/zinc/31/96/67/590319667.db2.gz VPLRYUKMZRIJFT-WCQYABFASA-N 2 0 239.363 0.396 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877375233 590319765 /nfs/dbraw/zinc/31/97/65/590319765.db2.gz VVBJSMIWKVYIBP-MRBYEJRBSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877374300 590320249 /nfs/dbraw/zinc/32/02/49/590320249.db2.gz FAAOKFABCKPQGJ-LSCVPOLPSA-N 2 0 237.347 0.052 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)co1 ZINC000877389799 590321588 /nfs/dbraw/zinc/32/15/88/590321588.db2.gz GLKBLLPGEQEMRG-AAEUAGOBSA-N 2 0 249.314 0.753 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877388344 590321800 /nfs/dbraw/zinc/32/18/00/590321800.db2.gz YOEKNJFQXNKSJR-WZRBSPASSA-N 2 0 237.347 0.387 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877388342 590321803 /nfs/dbraw/zinc/32/18/03/590321803.db2.gz YOEKNJFQXNKSJR-NQBHXWOUSA-N 2 0 237.347 0.387 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877392580 590322012 /nfs/dbraw/zinc/32/20/12/590322012.db2.gz SRLITVKOOMJORM-UMNHJUIQSA-N 2 0 225.336 0.515 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391046 590322054 /nfs/dbraw/zinc/32/20/54/590322054.db2.gz MAMONKIYHVSBKF-WCQYABFASA-N 2 0 239.363 0.729 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877393470 590322189 /nfs/dbraw/zinc/32/21/89/590322189.db2.gz YCYGNKRRWRXQEP-YPMHNXCESA-N 2 0 239.363 0.906 20 0 BCADRP O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC000877392840 590322221 /nfs/dbraw/zinc/32/22/21/590322221.db2.gz URQKEGGXCLCEIH-WZRBSPASSA-N 2 0 237.347 0.387 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877391505 590322291 /nfs/dbraw/zinc/32/22/91/590322291.db2.gz OGTATBVWLSSVSI-UFGOTCBOSA-N 2 0 237.347 0.528 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877392627 590322525 /nfs/dbraw/zinc/32/25/25/590322525.db2.gz UNWSSSZDJDGUJA-GUDRVLHUSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877401905 590323837 /nfs/dbraw/zinc/32/38/37/590323837.db2.gz RJSAQKGXSVDVFX-WDEREUQCSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]CCCC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877400074 590323912 /nfs/dbraw/zinc/32/39/12/590323912.db2.gz RXEWVKTUTNSROT-MWLCHTKSSA-N 2 0 211.309 0.126 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877399612 590324227 /nfs/dbraw/zinc/32/42/27/590324227.db2.gz NAJABCVADQRNMD-NHCYSSNCSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H](C(=O)N(C)CCCCCC[NH3+])[NH+](C)C ZINC000877434272 590326800 /nfs/dbraw/zinc/32/68/00/590326800.db2.gz BZKWEKQVSGGFNY-NSHDSACASA-N 2 0 229.368 0.914 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)C[NH2+]C1CC1 ZINC000877438228 590327972 /nfs/dbraw/zinc/32/79/72/590327972.db2.gz LHFLLKBPYNPDHK-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP CC[NH2+]CC(=O)N(C)CCCCCC[NH3+] ZINC000877444535 590329047 /nfs/dbraw/zinc/32/90/47/590329047.db2.gz NSDNKHFCBUAYAW-UHFFFAOYSA-N 2 0 215.341 0.573 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)CCC[NH3+] ZINC000877444292 590329229 /nfs/dbraw/zinc/32/92/29/590329229.db2.gz KPBRZNFCPQINBY-UHFFFAOYSA-N 2 0 215.341 0.703 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)CCCCCC[NH3+] ZINC000877441883 590329253 /nfs/dbraw/zinc/32/92/53/590329253.db2.gz QQHSOCDMSLQBCO-NSHDSACASA-N 2 0 229.368 0.819 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877451648 590329770 /nfs/dbraw/zinc/32/97/70/590329770.db2.gz SCFPMPMJMIAYBU-FPYNETTCSA-N 2 0 249.358 0.147 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877451650 590329907 /nfs/dbraw/zinc/32/99/07/590329907.db2.gz SCFPMPMJMIAYBU-MLGHIDQZSA-N 2 0 249.358 0.147 20 0 BCADRP C[NH+]1CCC2(CC[N@H+](CC3OCCO3)C2)CC1 ZINC000878866942 590635094 /nfs/dbraw/zinc/63/50/94/590635094.db2.gz OIELKMNCAPOEBZ-UHFFFAOYSA-N 2 0 240.347 0.777 20 0 BCADRP CC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573766 590810040 /nfs/dbraw/zinc/81/00/40/590810040.db2.gz RCUJKGZVFOUZPS-QJPTWQEYSA-N 2 0 212.337 0.783 20 0 BCADRP CCN(C)C[C@@H](O)C[N@@H+]1[C@@H](C)CC[C@H]1CO ZINC000880444226 591045788 /nfs/dbraw/zinc/04/57/88/591045788.db2.gz RIWHMNBSIUDQIB-SDDRHHMPSA-N 2 0 230.352 0.144 20 0 BCADRP [NH3+][C@@H](CC(=O)NCC[NH+]1CCCC1)C1CC1 ZINC000129771909 591402666 /nfs/dbraw/zinc/40/26/66/591402666.db2.gz SJTHJZZURBISQB-NSHDSACASA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H](CNC(=O)C[C@H]([NH3+])C1CC1)[NH+](C)C ZINC000129810353 591409919 /nfs/dbraw/zinc/40/99/19/591409919.db2.gz MCYJLZZKCRLZAU-SCZZXKLOSA-N 2 0 213.325 0.180 20 0 BCADRP C[N@H+](CCNC(=O)C[C@H]([NH3+])C1CC1)C1CC1 ZINC000129872871 591414780 /nfs/dbraw/zinc/41/47/80/591414780.db2.gz GGBBIYCACFJFIJ-NSHDSACASA-N 2 0 225.336 0.324 20 0 BCADRP C[NH+](C)CCCCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000129851795 591415146 /nfs/dbraw/zinc/41/51/46/591415146.db2.gz JNQPUFRFRJWEMF-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP CCN1CC[C@@H]1C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000883354899 591625576 /nfs/dbraw/zinc/62/55/76/591625576.db2.gz DQHROURGEWQMBZ-QJPTWQEYSA-N 2 0 211.353 0.620 20 0 BCADRP C[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@H](C)[NH2+]1 ZINC000883416727 591652306 /nfs/dbraw/zinc/65/23/06/591652306.db2.gz CNYQZBUOOARVQR-VLEAKVRGSA-N 2 0 215.316 0.369 20 0 BCADRP C[N@H+](C[C@@H]1C[C@H](F)CN1)C1CCC([NH3+])CC1 ZINC000883417470 591652586 /nfs/dbraw/zinc/65/25/86/591652586.db2.gz ARUOYMCZANYORE-VOBJUBJWSA-N 2 0 229.343 0.888 20 0 BCADRP c1ncc2c(n1)CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000883414613 591652682 /nfs/dbraw/zinc/65/26/82/591652682.db2.gz BNAOMUWADYWHET-UHFFFAOYSA-N 2 0 232.331 0.834 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883419081 591653903 /nfs/dbraw/zinc/65/39/03/591653903.db2.gz ZRCUYXJACLPYHK-GARJFASQSA-N 2 0 217.332 0.649 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883424985 591658655 /nfs/dbraw/zinc/65/86/55/591658655.db2.gz IYLNXDWVFCBQIQ-ZNSHCXBVSA-N 2 0 215.316 0.356 20 0 BCADRP C[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)[C@@H](C)C[N@@H+]1C ZINC000883430997 591661807 /nfs/dbraw/zinc/66/18/07/591661807.db2.gz JXXPLYBAZPQSDB-RHYQMDGZSA-N 2 0 229.343 0.711 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CCC3(CC[NH2+]3)CC2)C1 ZINC000883433260 591664375 /nfs/dbraw/zinc/66/43/75/591664375.db2.gz MAGOHQNUIZQGSO-QWRGUYRKSA-N 2 0 227.327 0.514 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@@H]1C[C@H](F)C[NH2+]1)C2 ZINC000883438560 591666859 /nfs/dbraw/zinc/66/68/59/591666859.db2.gz WAQJWVXPJHGRTA-ZDEQEGDKSA-N 2 0 241.354 0.618 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C[C@@H]3C[C@H](F)C[NH2+]3)CC[C@H]21 ZINC000883438804 591667824 /nfs/dbraw/zinc/66/78/24/591667824.db2.gz CQDNSCUFRZWECS-MROQNXINSA-N 2 0 241.354 0.712 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C[C@@H]1C[C@H](F)C[NH2+]1)C2 ZINC000883440911 591668699 /nfs/dbraw/zinc/66/86/99/591668699.db2.gz CKDPLQZQIWUVBC-FIQHERPVSA-N 2 0 227.327 0.228 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000883440516 591668855 /nfs/dbraw/zinc/66/88/55/591668855.db2.gz SGEPEIRJUAQTTK-FIQHERPVSA-N 2 0 227.327 0.513 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883441093 591668986 /nfs/dbraw/zinc/66/89/86/591668986.db2.gz HDMHIETTZDRYLX-CYDGBPFRSA-N 2 0 241.354 0.855 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](CF)C1 ZINC000883447535 591670532 /nfs/dbraw/zinc/67/05/32/591670532.db2.gz DZHBCSYFOHKUCR-VHSXEESVSA-N 2 0 204.289 0.248 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](CF)C1 ZINC000883447053 591670892 /nfs/dbraw/zinc/67/08/92/591670892.db2.gz RNTZUQUGSMQYEO-MNOVXSKESA-N 2 0 218.316 0.638 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000884004592 591793389 /nfs/dbraw/zinc/79/33/89/591793389.db2.gz DQCNPZCBNIAGGS-SNVBAGLBSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884006288 591794160 /nfs/dbraw/zinc/79/41/60/591794160.db2.gz MIPGOHONMKDEBT-RYUDHWBXSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)NCC1([NH3+])CCCCC1 ZINC000884007683 591795418 /nfs/dbraw/zinc/79/54/18/591795418.db2.gz KUDUBLWNZIAEIE-NSHDSACASA-N 2 0 239.363 0.892 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000884014628 591799822 /nfs/dbraw/zinc/79/98/22/591799822.db2.gz SERHHSLPSRLXCZ-SNVBAGLBSA-N 2 0 213.325 0.230 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000884021148 591802212 /nfs/dbraw/zinc/80/22/12/591802212.db2.gz SSTPAFVHBSOAMD-NXEZZACHSA-N 2 0 225.336 0.039 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884021510 591802688 /nfs/dbraw/zinc/80/26/88/591802688.db2.gz CXLGTRQDXGRGPE-QWRGUYRKSA-N 2 0 225.336 0.324 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000884021151 591802773 /nfs/dbraw/zinc/80/27/73/591802773.db2.gz SSTPAFVHBSOAMD-ZJUUUORDSA-N 2 0 225.336 0.039 20 0 BCADRP C[NH2+]CCNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884023521 591803552 /nfs/dbraw/zinc/80/35/52/591803552.db2.gz OGCUBIWYAIAWBL-VIFPVBQESA-N 2 0 215.341 0.332 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000884024700 591804739 /nfs/dbraw/zinc/80/47/39/591804739.db2.gz ZISPEFCHFJXZQM-VHSXEESVSA-N 2 0 225.336 0.100 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000884023983 591805156 /nfs/dbraw/zinc/80/51/56/591805156.db2.gz DELUTWPYMJPHRD-MNOVXSKESA-N 2 0 227.352 0.489 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000884030178 591813487 /nfs/dbraw/zinc/81/34/87/591813487.db2.gz IHTOHZINZSXCAD-JTQLQIEISA-N 2 0 239.363 0.620 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884031382 591814959 /nfs/dbraw/zinc/81/49/59/591814959.db2.gz OABBAUZTBIQRJC-SNVBAGLBSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884035821 591817320 /nfs/dbraw/zinc/81/73/20/591817320.db2.gz IVHQHXBTIPEGAQ-GWCFXTLKSA-N 2 0 241.379 0.722 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000884037313 591818694 /nfs/dbraw/zinc/81/86/94/591818694.db2.gz VXECTJLZHSQSHJ-WDEREUQCSA-N 2 0 227.352 0.474 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884037733 591819086 /nfs/dbraw/zinc/81/90/86/591819086.db2.gz KZJBJSSZFQGALK-JTQLQIEISA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884040518 591822244 /nfs/dbraw/zinc/82/22/44/591822244.db2.gz VZZZTMRJJSZLCE-GHMZBOCLSA-N 2 0 239.363 0.442 20 0 BCADRP COCC[C@@H]([NH3+])C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000884040811 591823057 /nfs/dbraw/zinc/82/30/57/591823057.db2.gz DYFKFGHJIVXHDQ-GHMZBOCLSA-N 2 0 245.367 0.182 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884042510 591823076 /nfs/dbraw/zinc/82/30/76/591823076.db2.gz AZKWSEVROPQZBP-MNOVXSKESA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000133757413 591852905 /nfs/dbraw/zinc/85/29/05/591852905.db2.gz WQIZOFPXCINEGR-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000884192896 591870882 /nfs/dbraw/zinc/87/08/82/591870882.db2.gz QJNWSQPSZMRYRF-NEPJUHHUSA-N 2 0 241.379 0.688 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H](C)C[NH3+] ZINC000884237887 591876177 /nfs/dbraw/zinc/87/61/77/591876177.db2.gz OFMSFGUEBRHMTG-NXEZZACHSA-N 2 0 229.368 0.707 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C)CC[NH3+] ZINC000884243844 591879242 /nfs/dbraw/zinc/87/92/42/591879242.db2.gz QOPUKBHGCIDAOE-UWVGGRQHSA-N 2 0 215.341 0.474 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884243357 591881001 /nfs/dbraw/zinc/88/10/01/591881001.db2.gz DQBDZXFPBOFBOU-IUCAKERBSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884243358 591881246 /nfs/dbraw/zinc/88/12/46/591881246.db2.gz DQBDZXFPBOFBOU-RKDXNWHRSA-N 2 0 213.325 0.086 20 0 BCADRP CC1([NH3+])CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884266336 591887999 /nfs/dbraw/zinc/88/79/99/591887999.db2.gz OKNBWBSETGRBMK-SNVBAGLBSA-N 2 0 225.336 0.454 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000884265688 591888546 /nfs/dbraw/zinc/88/85/46/591888546.db2.gz QNSSWZSRIOXNFO-GHMZBOCLSA-N 2 0 225.336 0.372 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000884267859 591888580 /nfs/dbraw/zinc/88/85/80/591888580.db2.gz OWNSXODUNCBPSP-HBNTYKKESA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000884267857 591888809 /nfs/dbraw/zinc/88/88/09/591888809.db2.gz OWNSXODUNCBPSP-GARJFASQSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000884273580 591889282 /nfs/dbraw/zinc/88/92/82/591889282.db2.gz SQXFBTOPWVSTCZ-UTUOFQBUSA-N 2 0 241.379 0.877 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000884273581 591889622 /nfs/dbraw/zinc/88/96/22/591889622.db2.gz SQXFBTOPWVSTCZ-WOPDTQHZSA-N 2 0 241.379 0.877 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H](C)[NH3+] ZINC000884274563 591889651 /nfs/dbraw/zinc/88/96/51/591889651.db2.gz PEEJLEKTEPUSOJ-IUCAKERBSA-N 2 0 201.314 0.084 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000884272631 591889775 /nfs/dbraw/zinc/88/97/75/591889775.db2.gz ZPVIZVCUBVYEOD-SRVKXCTJSA-N 2 0 241.379 0.829 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC2CC2)CC[NH2+]1 ZINC000884274745 591889913 /nfs/dbraw/zinc/88/99/13/591889913.db2.gz UDVYMFMFYDOWGF-IEBDPFPHSA-N 2 0 225.336 0.371 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000884279980 591892090 /nfs/dbraw/zinc/89/20/90/591892090.db2.gz ZCULPJFLRNWEJO-GXFFZTMASA-N 2 0 239.363 0.429 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000884279981 591892564 /nfs/dbraw/zinc/89/25/64/591892564.db2.gz ZCULPJFLRNWEJO-MFKMUULPSA-N 2 0 239.363 0.429 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884286471 591893309 /nfs/dbraw/zinc/89/33/09/591893309.db2.gz FJKMDFWNUAVHNI-NEPJUHHUSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884286286 591893842 /nfs/dbraw/zinc/89/38/42/591893842.db2.gz AVDDWQQEMAEFTQ-IQIPOGNMSA-N 2 0 239.363 0.617 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)C(F)F ZINC000884296627 591896688 /nfs/dbraw/zinc/89/66/88/591896688.db2.gz BPEPKKOYKVFKFG-YUMQZZPRSA-N 2 0 235.278 0.213 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884297323 591896924 /nfs/dbraw/zinc/89/69/24/591896924.db2.gz OSTFJPRBXDBGAP-UWVGGRQHSA-N 2 0 229.368 0.849 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884297324 591897321 /nfs/dbraw/zinc/89/73/21/591897321.db2.gz OSTFJPRBXDBGAP-VHSXEESVSA-N 2 0 229.368 0.849 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000884304717 591900322 /nfs/dbraw/zinc/90/03/22/591900322.db2.gz YPWRXVOEPZGXOA-ZJUUUORDSA-N 2 0 239.363 0.489 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000884304728 591900513 /nfs/dbraw/zinc/90/05/13/591900513.db2.gz ZBJNENLGLYJQTI-JTQLQIEISA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000884338511 591905544 /nfs/dbraw/zinc/90/55/44/591905544.db2.gz KCEJRMXBDQGDAW-RYUDHWBXSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884339827 591906907 /nfs/dbraw/zinc/90/69/07/591906907.db2.gz XZTSLLOBJQKYAY-GUBZILKMSA-N 2 0 225.336 0.180 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000884347810 591908994 /nfs/dbraw/zinc/90/89/94/591908994.db2.gz GZWFLCXOTWXOEO-NXEZZACHSA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884347817 591909144 /nfs/dbraw/zinc/90/91/44/591909144.db2.gz HBQVGEWUNSJRCW-LPEHRKFASA-N 2 0 227.352 0.602 20 0 BCADRP CC1(C)[C@H](NC(=O)CC2([NH3+])CCC2)C[C@@H]1[NH3+] ZINC000884347924 591909266 /nfs/dbraw/zinc/90/92/66/591909266.db2.gz JWBMRCJZWHOHMA-DTWKUNHWSA-N 2 0 225.336 0.500 20 0 BCADRP CC1(C)[C@H](NC(=O)CC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000884348228 591909647 /nfs/dbraw/zinc/90/96/47/591909647.db2.gz RDYSSCLWKPSYBL-WDEREUQCSA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000884348428 591909898 /nfs/dbraw/zinc/90/98/98/591909898.db2.gz YVNAEKPFAWXSRY-AEJSXWLSSA-N 2 0 225.336 0.371 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CCCCC[NH3+] ZINC000884358598 591911107 /nfs/dbraw/zinc/91/11/07/591911107.db2.gz TYMAYIIHZNBVMQ-ZJUUUORDSA-N 2 0 227.352 0.748 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884357769 591912284 /nfs/dbraw/zinc/91/22/84/591912284.db2.gz FCKCSHFOVVJQLH-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1c[nH+]ccc1N ZINC000884358025 591912886 /nfs/dbraw/zinc/91/28/86/591912886.db2.gz KMGNVFMJYVHVCP-UWVGGRQHSA-N 2 0 234.303 0.350 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C)[NH+](C)C ZINC000884358864 591912901 /nfs/dbraw/zinc/91/29/01/591912901.db2.gz ZNUCGPISUYEMDO-VWYCJHECSA-N 2 0 241.379 0.815 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000884358502 591913042 /nfs/dbraw/zinc/91/30/42/591913042.db2.gz RFBNSXUTCQFYSW-IVZWLZJFSA-N 2 0 225.336 0.356 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884358137 591913091 /nfs/dbraw/zinc/91/30/91/591913091.db2.gz LOHMGMJMYFGAKA-AXTSPUMRSA-N 2 0 225.336 0.226 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884358767 591913159 /nfs/dbraw/zinc/91/31/59/591913159.db2.gz XOOXXSFBLQUFHV-XSPKLOCKSA-N 2 0 213.325 0.212 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884360345 591913731 /nfs/dbraw/zinc/91/37/31/591913731.db2.gz YUPUPUWDNBKFSD-BBBLOLIVSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884359336 591913888 /nfs/dbraw/zinc/91/38/88/591913888.db2.gz ICRDKISZTPTPKU-CIUDSAMLSA-N 2 0 213.325 0.356 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)CC[N@@H+]1C ZINC000884361707 591914494 /nfs/dbraw/zinc/91/44/94/591914494.db2.gz XJKFJQOFRANMFX-ZNSHCXBVSA-N 2 0 239.363 0.569 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000884362626 591915224 /nfs/dbraw/zinc/91/52/24/591915224.db2.gz OTTZHTLCUAATMF-UTLUCORTSA-N 2 0 225.336 0.228 20 0 BCADRP CC1(C)[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@@H]1[NH3+] ZINC000884362405 591915931 /nfs/dbraw/zinc/91/59/31/591915931.db2.gz KLWOVHSPALMNOV-ZRUFSTJUSA-N 2 0 239.363 0.746 20 0 BCADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C)[NH+](C)C ZINC000884364637 591916533 /nfs/dbraw/zinc/91/65/33/591916533.db2.gz UVMJXGRZOVAIQN-UTLUCORTSA-N 2 0 227.352 0.569 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000884364349 591916734 /nfs/dbraw/zinc/91/67/34/591916734.db2.gz QKMHJFHHMNDZMW-NAKRPEOUSA-N 2 0 239.363 0.746 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C)[NH+](C)C ZINC000884364636 591916783 /nfs/dbraw/zinc/91/67/83/591916783.db2.gz UVMJXGRZOVAIQN-OPRDCNLKSA-N 2 0 227.352 0.569 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000884365957 591917293 /nfs/dbraw/zinc/91/72/93/591917293.db2.gz RAUJXOMDBDRJQJ-DBIOUOCHSA-N 2 0 239.363 0.746 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000884366370 591917510 /nfs/dbraw/zinc/91/75/10/591917510.db2.gz YPMXESOMFICKFT-XAMCCFCMSA-N 2 0 247.289 0.068 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000884365935 591917677 /nfs/dbraw/zinc/91/76/77/591917677.db2.gz QURNHNSSZJKPLG-LNLATYFQSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884371984 591918450 /nfs/dbraw/zinc/91/84/50/591918450.db2.gz CWCHLJOKEZHYHM-LPEHRKFASA-N 2 0 227.352 0.474 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)NCC1([NH3+])CCCC1 ZINC000884403841 591926023 /nfs/dbraw/zinc/92/60/23/591926023.db2.gz SUYKEDAZHJJVIC-JTQLQIEISA-N 2 0 225.336 0.502 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]([NH3+])CC1CC1 ZINC000884408628 591927074 /nfs/dbraw/zinc/92/70/74/591927074.db2.gz NNPZPIQNKAMPEK-SQLBVSGCSA-N 2 0 223.320 0.064 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H](CC(C)C)[NH2+]C ZINC000884419963 591928909 /nfs/dbraw/zinc/92/89/09/591928909.db2.gz GNPXKYBGUXZRLV-UWVGGRQHSA-N 2 0 215.341 0.345 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000884431362 591932494 /nfs/dbraw/zinc/93/24/94/591932494.db2.gz RUDZJHCHNIAUJL-MNOVXSKESA-N 2 0 237.347 0.515 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884434290 591933567 /nfs/dbraw/zinc/93/35/67/591933567.db2.gz GXLVVUOHTYSWSC-OUAUKWLOSA-N 2 0 239.363 0.489 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NCCOCCC[NH3+] ZINC000884439090 591933999 /nfs/dbraw/zinc/93/39/99/591933999.db2.gz TWYLPWFLDXVASL-NSHDSACASA-N 2 0 245.367 0.102 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)C[C@H](C)[NH3+] ZINC000884444632 591936719 /nfs/dbraw/zinc/93/67/19/591936719.db2.gz QVPSXNAOADHACA-UWVGGRQHSA-N 2 0 229.368 0.802 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884458302 591940595 /nfs/dbraw/zinc/94/05/95/591940595.db2.gz BBRHNFVHKJDSKF-SZEHBUNVSA-N 2 0 211.309 0.062 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C[C@](C)(O)C(F)F)C1 ZINC000886010840 592130094 /nfs/dbraw/zinc/13/00/94/592130094.db2.gz QMQZENVUQJBGQF-ONGXEEELSA-N 2 0 236.306 0.886 20 0 BCADRP [NH3+][C@@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000137383753 592176023 /nfs/dbraw/zinc/17/60/23/592176023.db2.gz SZDVZKMMXRMNKV-PWSUYJOCSA-N 2 0 237.347 0.467 20 0 BCADRP O[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1O ZINC000886247145 592185174 /nfs/dbraw/zinc/18/51/74/592185174.db2.gz IUBCOYMQQVPYAD-LBELIVKGSA-N 2 0 240.347 0.087 20 0 BCADRP O[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1O ZINC000886247147 592185234 /nfs/dbraw/zinc/18/52/34/592185234.db2.gz IUBCOYMQQVPYAD-VEGXAWMVSA-N 2 0 240.347 0.087 20 0 BCADRP C([NH+]1C[C@@H]2C[C@@H]2C1)C1(C[N@@H+]2C[C@@H]3C[C@@H]3C2)COC1 ZINC000886346359 592213410 /nfs/dbraw/zinc/21/34/10/592213410.db2.gz GTGGELOZNHMNSP-KPWCQOOUSA-N 2 0 248.370 0.906 20 0 BCADRP COC(=O)[C@H]1CC[C@H]([NH2+]CCC[NH+](C)C)C1 ZINC000886489617 592235790 /nfs/dbraw/zinc/23/57/90/592235790.db2.gz MXHCVPVALHDTFQ-QWRGUYRKSA-N 2 0 228.336 0.869 20 0 BCADRP COC(=O)[C@@H](C)C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000220365995 592307987 /nfs/dbraw/zinc/30/79/87/592307987.db2.gz BWVILGDTDLKLMI-WDEREUQCSA-N 2 0 228.336 0.727 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H]1C[C@]13CCOC3)C2 ZINC000886841888 592363000 /nfs/dbraw/zinc/36/30/00/592363000.db2.gz ZKBDVKWXQLZVHZ-RQJABVFESA-N 2 0 236.359 0.954 20 0 BCADRP [NH3+]CC12CC(C1)C[N@@H+]2C[C@@H]1C[C@@]12CCOC2 ZINC000886841536 592363444 /nfs/dbraw/zinc/36/34/44/592363444.db2.gz OBWFBKCDSINXHG-CMOBGSAGSA-N 2 0 222.332 0.836 20 0 BCADRP [NH2+]=C(NCC[NH+]1CCCC1)NCC(F)F ZINC000887347335 592484695 /nfs/dbraw/zinc/48/46/95/592484695.db2.gz QVHMSJRZYPGTLA-UHFFFAOYSA-N 2 0 220.267 0.461 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NCC(F)F)C1 ZINC000887349863 592485340 /nfs/dbraw/zinc/48/53/40/592485340.db2.gz MCIMPHJRKMNUAN-ZETCQYMHSA-N 2 0 220.267 0.317 20 0 BCADRP C[NH+](C)[C@@H](CNC(=[NH2+])NCC1CC1)C1CC1 ZINC000887350970 592485671 /nfs/dbraw/zinc/48/56/71/592485671.db2.gz BITLCSJVKIMOAJ-NSHDSACASA-N 2 0 224.352 0.851 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=[NH2+])NCC(F)F)C1 ZINC000887353827 592486997 /nfs/dbraw/zinc/48/69/97/592486997.db2.gz DSIVEEYGKIWDIW-QMMMGPOBSA-N 2 0 234.294 0.707 20 0 BCADRP C[C@@H]1OCC[C@]1(C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000300423878 592512377 /nfs/dbraw/zinc/51/23/77/592512377.db2.gz XEMWWDNGBPQNLP-XQQFMLRXSA-N 2 0 242.363 0.600 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)N(C)CC[NH+](C)C ZINC000890067836 592676564 /nfs/dbraw/zinc/67/65/64/592676564.db2.gz XGVAILIGCQJHDP-LLVKDONJSA-N 2 0 242.367 0.284 20 0 BCADRP C(C[NH2+][C@@H]1CNCCOC1)C[C@@H]1CCC[NH2+]1 ZINC000925705162 634386278 /nfs/dbraw/zinc/38/62/78/634386278.db2.gz IBNNACODVYJZOG-NWDGAFQWSA-N 2 0 227.352 0.097 20 0 BCADRP [NH3+]C[C@@H](N[C@@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000925705883 634387940 /nfs/dbraw/zinc/38/79/40/634387940.db2.gz IWOTYIYSBDRDCH-VXGBXAGGSA-N 2 0 227.352 0.082 20 0 BCADRP [NH3+][C@@H]1C[C@@H](NC[C@H]2C[NH2+]CCCO2)C12CCC2 ZINC000925709632 634401357 /nfs/dbraw/zinc/40/13/57/634401357.db2.gz ORHJUXFBXCHMFQ-IJLUTSLNSA-N 2 0 239.363 0.224 20 0 BCADRP CC[C@H]([NH3+])CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925709699 634406673 /nfs/dbraw/zinc/40/66/73/634406673.db2.gz PXSKKWFGXFXUGH-KTWSDMTRSA-N 2 0 209.337 0.310 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NCCC[NH2+]C1CC1 ZINC000925709188 634407407 /nfs/dbraw/zinc/40/74/07/634407407.db2.gz ULRVAAMHEPUGCN-NSHDSACASA-N 2 0 211.353 0.859 20 0 BCADRP CC[C@@H]([NH3+])CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925713930 634417678 /nfs/dbraw/zinc/41/76/78/634417678.db2.gz ZIYFTJWURYNWMB-GHMZBOCLSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@@H]1C(=O)NCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000082478270 634423036 /nfs/dbraw/zinc/42/30/36/634423036.db2.gz XLUOOJCSUMSVQS-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCNC2=O)C[C@@H]([NH3+])C1 ZINC000925714749 634433578 /nfs/dbraw/zinc/43/35/78/634433578.db2.gz WBMZQJBCIQILKP-KXUCPTDWSA-N 2 0 225.336 0.371 20 0 BCADRP C[NH2+]C[C@@H](C)N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925716216 634446659 /nfs/dbraw/zinc/44/66/59/634446659.db2.gz LWKFNTSNXFWSDY-WYUUTHIRSA-N 2 0 225.380 0.961 20 0 BCADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]CCOCCF ZINC000925716527 634447756 /nfs/dbraw/zinc/44/77/56/634447756.db2.gz OMLOGHUEEVIMFV-CDECOKDKSA-N 2 0 246.326 0.314 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)C[NH2+]C ZINC000236711631 634459144 /nfs/dbraw/zinc/45/91/44/634459144.db2.gz AMULUAAUVHSVKJ-UHFFFAOYSA-N 2 0 201.314 0.054 20 0 BCADRP C[C@]1(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC[NH2+]C1 ZINC000335511048 634475283 /nfs/dbraw/zinc/47/52/83/634475283.db2.gz CEUQXIBKSUQPGM-STQMWFEESA-N 2 0 237.347 0.341 20 0 BCADRP [NH3+]CC1(CC(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000335517091 634480455 /nfs/dbraw/zinc/48/04/55/634480455.db2.gz WXUFBNADCVFWMC-CYBMUJFWSA-N 2 0 237.347 0.470 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000662851896 634507855 /nfs/dbraw/zinc/50/78/55/634507855.db2.gz FERQTJIRJXQWOS-OUAUKWLOSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925726705 634523476 /nfs/dbraw/zinc/52/34/76/634523476.db2.gz KCXLXWKAKQRDRB-NTZHIAQWSA-N 3 0 221.348 0.310 20 0 BCADRP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000125556208 634547643 /nfs/dbraw/zinc/54/76/43/634547643.db2.gz DGTUQKOEUJWAOW-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000125574191 634565931 /nfs/dbraw/zinc/56/59/31/634565931.db2.gz KYDKPLFQBHZYEK-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP CO[C@@H](C)[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810881 635366425 /nfs/dbraw/zinc/36/64/25/635366425.db2.gz BUGUHORLQNIJPX-QWRGUYRKSA-N 2 0 229.368 0.423 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH2+]C(C)(C)C ZINC000226084389 635423181 /nfs/dbraw/zinc/42/31/81/635423181.db2.gz UIRCBQGKTJRDNF-LLVKDONJSA-N 2 0 241.379 0.975 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@H]1C[NH2+]C ZINC000236838037 635434211 /nfs/dbraw/zinc/43/42/11/635434211.db2.gz KKFLBUKPGRSWNC-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP C[C@@H]1OCC[C@]1(O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000227126771 635447820 /nfs/dbraw/zinc/44/78/20/635447820.db2.gz SEZULNSBGRULJQ-AAEUAGOBSA-N 2 0 242.363 0.458 20 0 BCADRP CCN(CC)C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000227766154 635453321 /nfs/dbraw/zinc/45/33/21/635453321.db2.gz QXLOUGGVZAWNRX-NWDGAFQWSA-N 2 0 241.379 0.772 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000250458370 635475157 /nfs/dbraw/zinc/47/51/57/635475157.db2.gz JWHBAOCGQNSJIU-QWRGUYRKSA-N 2 0 216.325 0.197 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]CCO[C@@H]1CCOC1 ZINC000925875162 635597697 /nfs/dbraw/zinc/59/76/97/635597697.db2.gz POYUFUZUFKOGET-VXGBXAGGSA-N 2 0 230.352 0.899 20 0 BCADRP Cn1nnc2c1C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])CC2 ZINC000925893493 635618902 /nfs/dbraw/zinc/61/89/02/635618902.db2.gz OOUQPCUCZPKVNZ-MXWKQRLJSA-N 2 0 249.362 0.389 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000925880888 635610531 /nfs/dbraw/zinc/61/05/31/635610531.db2.gz WJWMRIMCDUCYQY-KZKMVBDOSA-N 3 0 223.364 0.986 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891451404 631352436 /nfs/dbraw/zinc/35/24/36/631352436.db2.gz MVODVXNQKDCXFR-VWYCJHECSA-N 2 0 242.367 0.458 20 0 BCADRP C[NH+]1CCC(C[NH+]2CCC(C(N)=O)CC2)CC1 ZINC000891452353 631362187 /nfs/dbraw/zinc/36/21/87/631362187.db2.gz HASKZPXRGNBGHW-UHFFFAOYSA-N 2 0 239.363 0.526 20 0 BCADRP CC(C)[C@@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000086124621 631464729 /nfs/dbraw/zinc/46/47/29/631464729.db2.gz WFBUPWBAPJMVRM-NWDGAFQWSA-N 2 0 230.352 0.050 20 0 BCADRP CCN(C(=O)NC[C@H](C)[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000891939201 631566434 /nfs/dbraw/zinc/56/64/34/631566434.db2.gz GRKRAZQMSJOJJC-QWRGUYRKSA-N 2 0 242.367 0.330 20 0 BCADRP [NH3+]C/C=C/CNC(=O)NC1(C[NH3+])CCCCC1 ZINC000892122053 631736192 /nfs/dbraw/zinc/73/61/92/631736192.db2.gz LLMGMKJUEUDTRL-SNAWJCMRSA-N 2 0 240.351 0.462 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000892171000 631752987 /nfs/dbraw/zinc/75/29/87/631752987.db2.gz UWTGUEUBNWPPRO-VPOLOUISSA-N 2 0 240.351 0.245 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892198130 631778181 /nfs/dbraw/zinc/77/81/81/631778181.db2.gz GOLJYRUXFMTFFM-OPRDCNLKSA-N 2 0 228.340 0.245 20 0 BCADRP [NH3+]C[C@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000309014275 631799420 /nfs/dbraw/zinc/79/94/20/631799420.db2.gz QJBKDSMILPEOKH-SNVBAGLBSA-N 2 0 208.309 0.623 20 0 BCADRP CN(C)C(=O)C[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309106580 631886902 /nfs/dbraw/zinc/88/69/02/631886902.db2.gz MOZYBRCQWHTPNC-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP CO[C@@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309113926 631887462 /nfs/dbraw/zinc/88/74/62/631887462.db2.gz JJYKRKGPVXDFJB-VXGBXAGGSA-N 2 0 228.336 0.164 20 0 BCADRP C[C@H]1CC[N@H+](CCNC2=[NH+]CCN2C)C1 ZINC000849004981 631904916 /nfs/dbraw/zinc/90/49/16/631904916.db2.gz NDRZDJUNCGARIZ-JTQLQIEISA-N 2 0 210.325 0.219 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000309316684 631991706 /nfs/dbraw/zinc/99/17/06/631991706.db2.gz YWTQWQHGPPXNGH-UTUOFQBUSA-N 2 0 228.336 0.068 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000309283309 631993089 /nfs/dbraw/zinc/99/30/89/631993089.db2.gz NXBOWTCBVQLPDD-SECBINFHSA-N 2 0 213.325 0.311 20 0 BCADRP c1cncc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000077403801 632011063 /nfs/dbraw/zinc/01/10/63/632011063.db2.gz KFXFLVRLHLCZMN-CQSZACIVSA-N 2 0 246.358 0.561 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000120315344 632020423 /nfs/dbraw/zinc/02/04/23/632020423.db2.gz ZKDKXRAOQFFGJY-OUAUKWLOSA-N 2 0 225.336 0.372 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000309368875 632023070 /nfs/dbraw/zinc/02/30/70/632023070.db2.gz BQXWFJFFXYEVOA-SCZZXKLOSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001022886730 632030075 /nfs/dbraw/zinc/03/00/75/632030075.db2.gz HYDCODGFJCBCND-AOOOYVTPSA-N 2 0 236.319 0.597 20 0 BCADRP CNC(=[NH2+])NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000052020223 632042595 /nfs/dbraw/zinc/04/25/95/632042595.db2.gz MZCFLJYOAPAUGM-NSHDSACASA-N 2 0 241.383 0.002 20 0 BCADRP CNC(=[NH2+])NCCC[N@@H+]1CCCC[C@H]1C ZINC000052019461 632043965 /nfs/dbraw/zinc/04/39/65/632043965.db2.gz MPKDQDMIKPMFGC-SNVBAGLBSA-N 2 0 212.341 0.995 20 0 BCADRP CC[NH+]1CCC(CNC(=[NH2+])NC2CC2)CC1 ZINC000052044413 632051119 /nfs/dbraw/zinc/05/11/19/632051119.db2.gz QKZKCYQITDERDF-UHFFFAOYSA-N 2 0 224.352 0.995 20 0 BCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)CC[C@H]1C[NH3+] ZINC000251775551 635706845 /nfs/dbraw/zinc/70/68/45/635706845.db2.gz MQHSRVWNDYAFRS-MNOVXSKESA-N 2 0 248.392 0.338 20 0 BCADRP CNC(=O)[C@@H]1CCC[N@@H+]1CCCCCC[NH3+] ZINC000309470711 632101256 /nfs/dbraw/zinc/10/12/56/632101256.db2.gz UDWBYSOZQYIEPB-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP CCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023089781 632127580 /nfs/dbraw/zinc/12/75/80/632127580.db2.gz DPNXQIPPKKOMJJ-TXEJJXNPSA-N 2 0 239.363 0.729 20 0 BCADRP CN(C(=O)CCCCCC[NH3+])C1CC([NH3+])C1 ZINC000841851920 635798523 /nfs/dbraw/zinc/79/85/23/635798523.db2.gz ADMSZLGFZIURIJ-UHFFFAOYSA-N 2 0 227.352 0.844 20 0 BCADRP C[C@H](C[NH2+][C@@H]1COC[C@H]1C)N1CC[NH+](C)CC1 ZINC000924965929 635813279 /nfs/dbraw/zinc/81/32/79/635813279.db2.gz QJJVZSNDJNONGH-JHJVBQTASA-N 2 0 241.379 0.247 20 0 BCADRP CC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000309496833 632416891 /nfs/dbraw/zinc/41/68/91/632416891.db2.gz ZFBMCEONZGYGLS-GRYCIOLGSA-N 2 0 225.336 0.324 20 0 BCADRP CC[NH2+]CC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000309495694 632417100 /nfs/dbraw/zinc/41/71/00/632417100.db2.gz TXRXVEMFGDJLLQ-SNVBAGLBSA-N 2 0 215.341 0.428 20 0 BCADRP C1=CC[C@@H]2C[N@@H+](C[C@H]3CNCCO3)C[C@@H]2C1 ZINC000309516020 632435332 /nfs/dbraw/zinc/43/53/32/632435332.db2.gz RMXKWKWCMXDSFU-FRRDWIJNSA-N 2 0 222.332 0.873 20 0 BCADRP CC[NH2+]CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000309527231 632469445 /nfs/dbraw/zinc/46/94/45/632469445.db2.gz BDDROSUITLWHFJ-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP [NH3+]CCCNC(=O)c1cccc(C[NH3+])c1 ZINC000309532691 632474846 /nfs/dbraw/zinc/47/48/46/632474846.db2.gz DRCOAIRTRAKADJ-UHFFFAOYSA-N 2 0 207.277 0.224 20 0 BCADRP CC[C@@H](C(N)=O)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200501 632537429 /nfs/dbraw/zinc/53/74/29/632537429.db2.gz OEVHKTMRYSQRHS-RYUDHWBXSA-N 2 0 239.363 0.714 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000648180955 632547691 /nfs/dbraw/zinc/54/76/91/632547691.db2.gz VDIHIPOXJLRWDN-QWRGUYRKSA-N 2 0 237.347 0.529 20 0 BCADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1=O ZINC000252848287 632563544 /nfs/dbraw/zinc/56/35/44/632563544.db2.gz GLJOZNYXFRAZIE-BJDJZHNGSA-N 2 0 237.347 0.276 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000309639109 632596945 /nfs/dbraw/zinc/59/69/45/632596945.db2.gz NWVAMYJIPSTXCJ-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000310135446 632702513 /nfs/dbraw/zinc/70/25/13/632702513.db2.gz BJXDTNWMZGYWDA-RYUDHWBXSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]C1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000310265034 632713403 /nfs/dbraw/zinc/71/34/03/632713403.db2.gz MJCJCGCLFBXGFA-CYBMUJFWSA-N 2 0 241.379 0.127 20 0 BCADRP CCCNC(=[NH2+])NC[C@H]1CC[N@H+](CC)C1 ZINC000052042184 632780607 /nfs/dbraw/zinc/78/06/07/632780607.db2.gz VRARBNTYOAHMSX-SNVBAGLBSA-N 2 0 212.341 0.852 20 0 BCADRP C[C@@H]([NH2+]CCC[NH+](C)C)C(C)(C)CO ZINC000924541619 632791232 /nfs/dbraw/zinc/79/12/32/632791232.db2.gz VUPBFZHGSYAAOF-SNVBAGLBSA-N 2 0 202.342 0.935 20 0 BCADRP OC[C@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000107153141 635828795 /nfs/dbraw/zinc/82/87/95/635828795.db2.gz RRYDFGZJFHNTSZ-GFCCVEGCSA-N 2 0 212.337 0.833 20 0 BCADRP CCC(CC)[C@@H](CNC(=[NH2+])NC)[NH+](C)C ZINC000066245171 632861877 /nfs/dbraw/zinc/86/18/77/632861877.db2.gz FPIHNMBMLIXFIR-SNVBAGLBSA-N 2 0 214.357 0.887 20 0 BCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(C)(C)C[NH3+] ZINC000044752081 635866707 /nfs/dbraw/zinc/86/67/07/635866707.db2.gz SWERDFJOKJADSI-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)C3CC3)C[C@@H]2C1 ZINC000309269397 632869231 /nfs/dbraw/zinc/86/92/31/632869231.db2.gz CVDJWXFQNRWWJB-FRRDWIJNSA-N 2 0 224.348 0.641 20 0 BCADRP CCN(C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000892564451 632976159 /nfs/dbraw/zinc/97/61/59/632976159.db2.gz FROCAYYGEOBBBC-GMTAPVOTSA-N 2 0 240.351 0.117 20 0 BCADRP Cc1cc(C)cc(CNC(C[NH3+])C[NH3+])c1 ZINC000309565868 633201104 /nfs/dbraw/zinc/20/11/04/633201104.db2.gz QOELIUHYGHJIKQ-UHFFFAOYSA-N 2 0 207.321 0.679 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CC[N@@H+]1C ZINC000928434466 635929110 /nfs/dbraw/zinc/92/91/10/635929110.db2.gz DWFUJWSHWHEYLC-KOLCDFICSA-N 2 0 236.319 0.171 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)c2c[nH+]ccc2N)CC[N@@H+]1C ZINC000158967672 633230959 /nfs/dbraw/zinc/23/09/59/633230959.db2.gz XSBIPDHHDJXQSB-NXEZZACHSA-N 2 0 248.330 0.876 20 0 BCADRP COCCN(C)CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000250005059 636029043 /nfs/dbraw/zinc/02/90/43/636029043.db2.gz SORSXPKQUKCVLV-QWHCGFSZSA-N 2 0 243.395 0.672 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334270519 636037946 /nfs/dbraw/zinc/03/79/46/636037946.db2.gz FNUMYFWBHUBKCV-PWSUYJOCSA-N 2 0 225.336 0.183 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000334435427 636044793 /nfs/dbraw/zinc/04/47/93/636044793.db2.gz OSUPQHNQBMJJGU-NSHDSACASA-N 2 0 223.320 0.080 20 0 BCADRP CO[C@H](C[NH2+]CC[C@@H](C)[NH+](C)C)[C@H]1CCOC1 ZINC000895291279 636131958 /nfs/dbraw/zinc/13/19/58/636131958.db2.gz AZIJNHLHHDRBFN-FRRDWIJNSA-N 2 0 244.379 0.968 20 0 BCADRP CCC1([NH3+])CCN(C(=O)NCC[NH+](C)C)CC1 ZINC000892927682 633731410 /nfs/dbraw/zinc/73/14/10/633731410.db2.gz VUOJOCGHUVBQMW-UHFFFAOYSA-N 2 0 242.367 0.461 20 0 BCADRP C[NH+](C)CCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328468590 633767698 /nfs/dbraw/zinc/76/76/98/633767698.db2.gz YMBMEPOQIZCRPQ-MEBFFEOJSA-N 3 0 237.391 0.914 20 0 BCADRP OCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328543357 633772989 /nfs/dbraw/zinc/77/29/89/633772989.db2.gz KHQOXZXNBSRDOI-KKJSVHSVSA-N 2 0 210.321 0.345 20 0 BCADRP OCCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328543359 633773234 /nfs/dbraw/zinc/77/32/34/633773234.db2.gz KHQOXZXNBSRDOI-NGDQXYMTSA-N 2 0 210.321 0.345 20 0 BCADRP C[C@H](CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[NH+](C)C ZINC000328559629 633776362 /nfs/dbraw/zinc/77/63/62/633776362.db2.gz DWNWWJPJGHSCJJ-HDLKOFKZSA-N 2 0 223.364 0.523 20 0 BCADRP CC(C)(O)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328574992 633778891 /nfs/dbraw/zinc/77/88/91/633778891.db2.gz XOBLCAMNPFNOJO-RNWYCLNJSA-N 2 0 224.348 0.733 20 0 BCADRP OCC1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000328570036 633779181 /nfs/dbraw/zinc/77/91/81/633779181.db2.gz RBEXNPYBLMAIIG-NGDQXYMTSA-N 2 0 222.332 0.345 20 0 BCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]CCF)C1 ZINC001019775075 633790209 /nfs/dbraw/zinc/79/02/09/633790209.db2.gz VPLGEEIXPZZBGV-NSHDSACASA-N 2 0 243.326 0.242 20 0 BCADRP CC[NH2+]CC(=O)N[C@H](C)CCCC[NH3+] ZINC000308819521 633821949 /nfs/dbraw/zinc/82/19/49/633821949.db2.gz BNZFIBPYHPYSEP-SECBINFHSA-N 2 0 201.314 0.230 20 0 BCADRP CCc1nncn1CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925513253 633855805 /nfs/dbraw/zinc/85/58/05/633855805.db2.gz GLEXMGZZEZVXMJ-MNOVXSKESA-N 2 0 249.362 0.700 20 0 BCADRP C(CN[C@@H]1C[NH2+]CCOC1)C[NH+]1CCCCC1 ZINC000925516624 633870206 /nfs/dbraw/zinc/87/02/06/633870206.db2.gz DXMGDAWHCKXQBE-CYBMUJFWSA-N 2 0 241.379 0.440 20 0 BCADRP CC[NH2+]CCCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000309367122 633903443 /nfs/dbraw/zinc/90/34/43/633903443.db2.gz BKKISIDXWORFAL-JTQLQIEISA-N 2 0 213.325 0.230 20 0 BCADRP CC(C)C[C@@H](CN[C@H]1C[NH2+]CCOC1)[NH+](C)C ZINC000925535827 633933520 /nfs/dbraw/zinc/93/35/20/633933520.db2.gz LMJWEFVCOAWTOB-STQMWFEESA-N 2 0 243.395 0.541 20 0 BCADRP COC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309983011 634025832 /nfs/dbraw/zinc/02/58/32/634025832.db2.gz NLWVWGXHLGZBCF-OLZOCXBDSA-N 2 0 242.363 0.411 20 0 BCADRP COC[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309983012 634026662 /nfs/dbraw/zinc/02/66/62/634026662.db2.gz NLWVWGXHLGZBCF-QWHCGFSZSA-N 2 0 242.363 0.411 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925610005 634147418 /nfs/dbraw/zinc/14/74/18/634147418.db2.gz CCWCOKJZIGOISG-GMXVVIOVSA-N 2 0 244.379 0.879 20 0 BCADRP CCC[N@@H+]1CC[C@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925613438 634152431 /nfs/dbraw/zinc/15/24/31/634152431.db2.gz RBIXMVCCFWZBBQ-CHWSQXEVSA-N 2 0 241.379 0.296 20 0 BCADRP CC(C)[C@@H](CO)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925620745 634181727 /nfs/dbraw/zinc/18/17/27/634181727.db2.gz AGDGGYWRRHHOCG-NFXCPBFJSA-N 2 0 224.348 0.589 20 0 BCADRP CC(C)[C@@H](CO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925620744 634182210 /nfs/dbraw/zinc/18/22/10/634182210.db2.gz AGDGGYWRRHHOCG-MJYBNVITSA-N 2 0 224.348 0.589 20 0 BCADRP COC[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925661323 634225895 /nfs/dbraw/zinc/22/58/95/634225895.db2.gz DCZOGMDAEHXGDU-AXFHLTTASA-N 2 0 230.352 0.489 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925667826 634245770 /nfs/dbraw/zinc/24/57/70/634245770.db2.gz SLAORFCXEIABHR-MXWKQRLJSA-N 2 0 230.352 0.489 20 0 BCADRP Cn1nncc1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925674611 634258737 /nfs/dbraw/zinc/25/87/37/634258737.db2.gz SJQWVZNEXPEPTE-ZJUUUORDSA-N 2 0 237.351 0.811 20 0 BCADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCCNC2=O)C12CCC2 ZINC000925685772 634297507 /nfs/dbraw/zinc/29/75/07/634297507.db2.gz NCZWRFLJQMYANO-AXFHLTTASA-N 2 0 237.347 0.372 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925685989 634297810 /nfs/dbraw/zinc/29/78/10/634297810.db2.gz OZULCCKSVCDDAE-ZRUFSTJUSA-N 2 0 226.320 0.260 20 0 BCADRP C([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC[NH2+]CC1 ZINC000925687717 634303777 /nfs/dbraw/zinc/30/37/77/634303777.db2.gz AFJQWHZAEOBSSB-YHQUGGNUSA-N 3 0 235.375 0.572 20 0 BCADRP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC[NH2+]CC1 ZINC000925687715 634304328 /nfs/dbraw/zinc/30/43/28/634304328.db2.gz AFJQWHZAEOBSSB-QSLWVIQJSA-N 3 0 235.375 0.572 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CC[NH2+]C1)[NH2+]2 ZINC000925688289 634305314 /nfs/dbraw/zinc/30/53/14/634305314.db2.gz CRECLKWBLYWMIJ-IYKVGLELSA-N 2 0 209.337 0.467 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925693057 634324581 /nfs/dbraw/zinc/32/45/81/634324581.db2.gz NYZULJNCAWEFSW-CLSQCYNNSA-N 2 0 235.375 0.700 20 0 BCADRP C[NH2+]CCN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925692603 634324728 /nfs/dbraw/zinc/32/47/28/634324728.db2.gz NEQNXSHODUYFQN-PWSUYJOCSA-N 2 0 207.321 0.884 20 0 BCADRP [NH3+][C@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)C12CCC2 ZINC000925694338 634336795 /nfs/dbraw/zinc/33/67/95/634336795.db2.gz SZGFGKKZTBIOKH-RYUDHWBXSA-N 3 0 223.364 0.846 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCNC1CC1 ZINC000925694752 634337768 /nfs/dbraw/zinc/33/77/68/634337768.db2.gz SPLIUZAOFDWADQ-UYVFGJEYSA-N 2 0 223.364 0.844 20 0 BCADRP [NH3+][C@H](CN[C@@H]1C[NH2+]CCOC1)c1ccccc1 ZINC000925694788 634340183 /nfs/dbraw/zinc/34/01/83/634340183.db2.gz TVOOLAZWZYEFLQ-CHWSQXEVSA-N 2 0 235.331 0.264 20 0 BCADRP C[C@@H](C[NH3+])CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925697716 634360823 /nfs/dbraw/zinc/36/08/23/634360823.db2.gz HPBUGWNYIHXEPP-QWRGUYRKSA-N 2 0 211.353 0.846 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925698131 634361607 /nfs/dbraw/zinc/36/16/07/634361607.db2.gz CDPBVVOKNNFBCA-XDIHCQEQSA-N 2 0 235.375 0.842 20 0 BCADRP CC[NH2+][C@H](C)CN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925697844 634361826 /nfs/dbraw/zinc/36/18/26/634361826.db2.gz BANNGMLIZCETBC-VWYCJHECSA-N 2 0 211.353 0.844 20 0 BCADRP [NH3+][C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)C1CC1 ZINC000925698523 634364626 /nfs/dbraw/zinc/36/46/26/634364626.db2.gz KJDBODPBTOELHE-GMTAPVOTSA-N 2 0 209.337 0.583 20 0 BCADRP COCC[NH2+]CCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925698584 634365430 /nfs/dbraw/zinc/36/54/30/634365430.db2.gz KUPVMDDFRJDKCX-VXGBXAGGSA-N 2 0 243.395 0.718 20 0 BCADRP [NH3+][C@H](CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC1 ZINC000925699389 634367046 /nfs/dbraw/zinc/36/70/46/634367046.db2.gz OJULJELJYSVBLE-DVWMECQTSA-N 2 0 221.348 0.310 20 0 BCADRP [NH3+][C@@H]1C[C@H](N[C@H]2CCC[NH2+]CC2)C12CCC2 ZINC000925700043 634368151 /nfs/dbraw/zinc/36/81/51/634368151.db2.gz MXYWGICMAHLVLJ-TUAOUCFPSA-N 2 0 223.364 0.988 20 0 BCADRP [NH3+][C@@H]1C[C@@H](N[C@H]2CCC[NH2+]CC2)C12CCC2 ZINC000925700042 634369306 /nfs/dbraw/zinc/36/93/06/634369306.db2.gz MXYWGICMAHLVLJ-QJPTWQEYSA-N 2 0 223.364 0.988 20 0 BCADRP [NH3+]C1(CN[C@H]2CC[NH2+]C23CCC3)CCC1 ZINC000925700588 634371421 /nfs/dbraw/zinc/37/14/21/634371421.db2.gz VFZOQCXYRVLNEZ-JTQLQIEISA-N 2 0 209.337 0.742 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000258430172 635149936 /nfs/dbraw/zinc/14/99/36/635149936.db2.gz GZQNVTTWNSZKQA-UONOGXRCSA-N 2 0 234.343 0.871 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424030633 635153698 /nfs/dbraw/zinc/15/36/98/635153698.db2.gz RGYCXUQRRDVROR-GMXVVIOVSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NCc1cc(N)cc[nH+]1 ZINC000925767910 635186271 /nfs/dbraw/zinc/18/62/71/635186271.db2.gz RHOBQHHTWYWKHS-SKDRFNHKSA-N 2 0 220.320 0.894 20 0 BCADRP C[C@H](C[S@@](C)=O)[NH2+]CC1CC[NH+](C)CC1 ZINC000228973730 635219105 /nfs/dbraw/zinc/21/91/05/635219105.db2.gz DHUNCZRWAWVHBD-MEBBXXQBSA-N 2 0 232.393 0.685 20 0 BCADRP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980391715 635216608 /nfs/dbraw/zinc/21/66/08/635216608.db2.gz RUAFOWYGHYJGRD-NWDGAFQWSA-N 2 0 239.363 0.491 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925775940 635251074 /nfs/dbraw/zinc/25/10/74/635251074.db2.gz IIJORCQPWOZMKR-AEJSXWLSSA-N 2 0 233.306 0.701 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925783778 635297157 /nfs/dbraw/zinc/29/71/57/635297157.db2.gz GVXGBLFCSABXPK-UTUOFQBUSA-N 3 0 213.369 0.949 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000925791859 635320925 /nfs/dbraw/zinc/32/09/25/635320925.db2.gz SQEDZWAODBGSGV-NDBYEHHHSA-N 3 0 225.380 0.914 20 0 BCADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000925792298 635324663 /nfs/dbraw/zinc/32/46/63/635324663.db2.gz FHCDQTKHVAGGAQ-XQHKEYJVSA-N 3 0 225.380 0.962 20 0 BCADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000925792295 635324848 /nfs/dbraw/zinc/32/48/48/635324848.db2.gz FHCDQTKHVAGGAQ-FDYHWXHSSA-N 3 0 225.380 0.962 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CNCC[C@H]1C ZINC000925796995 635334544 /nfs/dbraw/zinc/33/45/44/635334544.db2.gz SQOCUMWWAYAILN-LPWJVIDDSA-N 2 0 225.380 0.820 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)CCO1 ZINC000925814325 635378198 /nfs/dbraw/zinc/37/81/98/635378198.db2.gz HWIIIBFLASDBBT-AAEUAGOBSA-N 2 0 241.379 0.567 20 0 BCADRP C[C@@H]1OCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816132 635385108 /nfs/dbraw/zinc/38/51/08/635385108.db2.gz VQZMRHLPAPXVQQ-CMPLNLGQSA-N 2 0 227.352 0.177 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]CCN1CCC([NH3+])CC1 ZINC000925818070 635388938 /nfs/dbraw/zinc/38/89/38/635388938.db2.gz YWKXWZHXUXGHIV-GFCCVEGCSA-N 3 0 242.411 0.517 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335638289 635886188 /nfs/dbraw/zinc/88/61/88/635886188.db2.gz HMXKXRTULRHWGQ-MFKMUULPSA-N 2 0 237.347 0.481 20 0 BCADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928560186 636103779 /nfs/dbraw/zinc/10/37/79/636103779.db2.gz PVUIEULDHVUEQE-GHMZBOCLSA-N 2 0 241.379 0.973 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000895517273 636155159 /nfs/dbraw/zinc/15/51/59/636155159.db2.gz DGBITTUAEYIDOF-CYBMUJFWSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+]1CCC(C[NH2+]C[C@@H]2COCCO2)CC1 ZINC000054243353 636242817 /nfs/dbraw/zinc/24/28/17/636242817.db2.gz JMZYNDVKPIDGEH-GFCCVEGCSA-N 2 0 228.336 0.333 20 0 BCADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154695 636574029 /nfs/dbraw/zinc/57/40/29/636574029.db2.gz WHDKSXOFYGADKI-QNWHQSFQSA-N 2 0 224.348 0.953 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000237339919 636715331 /nfs/dbraw/zinc/71/53/31/636715331.db2.gz UWSPDUZTZPOAEM-QWRGUYRKSA-N 2 0 241.379 0.723 20 0 BCADRP C[NH+](C)C1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000897669326 636833837 /nfs/dbraw/zinc/83/38/37/636833837.db2.gz QVZCHROKOVDTSL-VOMCLLRMSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH+](C)C1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000897669325 636834097 /nfs/dbraw/zinc/83/40/97/636834097.db2.gz QVZCHROKOVDTSL-UNXYVOJBSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH+](CC2CC2)CC1 ZINC000111273335 637097674 /nfs/dbraw/zinc/09/76/74/637097674.db2.gz IRFUPGNTWLCVQM-OCCSQVGLSA-N 2 0 237.391 0.870 20 0 BCADRP NOCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000902419632 637302325 /nfs/dbraw/zinc/30/23/25/637302325.db2.gz RZXKMBWWZLTMBI-WDEREUQCSA-N 2 0 213.325 0.483 20 0 BCADRP CC1(C)C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1N ZINC000903559639 637369372 /nfs/dbraw/zinc/36/93/72/637369372.db2.gz AIQGTDUUIXIASV-OUAUKWLOSA-N 2 0 211.353 0.783 20 0 BCADRP CC1(C)CN(C[C@@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000903551763 637371056 /nfs/dbraw/zinc/37/10/56/637371056.db2.gz YBDVPUFTYJRCSF-GHMZBOCLSA-N 2 0 211.353 0.655 20 0 BCADRP COCCC[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903726202 637378863 /nfs/dbraw/zinc/37/88/63/637378863.db2.gz KMPFCEJQRFIUOK-STQMWFEESA-N 2 0 242.363 0.723 20 0 BCADRP COCC[N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722846 637379730 /nfs/dbraw/zinc/37/97/30/637379730.db2.gz DTQCJXYZFFMMJO-LBPRGKRZSA-N 2 0 242.363 0.723 20 0 BCADRP C[C@@H]1CN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000903789080 637383980 /nfs/dbraw/zinc/38/39/80/637383980.db2.gz UGMJRCISYXXQQE-LPWJVIDDSA-N 2 0 239.363 0.034 20 0 BCADRP CCn1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)nn1 ZINC000903788864 637384512 /nfs/dbraw/zinc/38/45/12/637384512.db2.gz RTFQRLXYJABESV-QWRGUYRKSA-N 2 0 237.351 0.715 20 0 BCADRP C(N1CC[C@@]2(C1)CCCC[NH2+]2)C12CC(C1)C[NH2+]2 ZINC000904429485 637400107 /nfs/dbraw/zinc/40/01/07/637400107.db2.gz JBYIIUNDQIONMH-ROKHWSDSSA-N 2 0 235.375 0.956 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000904462538 637406879 /nfs/dbraw/zinc/40/68/79/637406879.db2.gz VJRNZPVKHPVXHM-SCVCMEIPSA-N 2 0 209.337 0.184 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000904462300 637407481 /nfs/dbraw/zinc/40/74/81/637407481.db2.gz UFMFGPPWLCCEQD-YPMHNXCESA-N 2 0 225.380 0.964 20 0 BCADRP NOCCC[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000904456944 637418766 /nfs/dbraw/zinc/41/87/66/637418766.db2.gz IBWSZQRRBUEOOS-UHFFFAOYSA-N 2 0 241.360 0.764 20 0 BCADRP CC(C)[C@H](C[NH3+])CN[C@H]1C[NH2+]CC1(C)C ZINC000904461218 637421291 /nfs/dbraw/zinc/42/12/91/637421291.db2.gz HBGQCDVSVDNCGV-MNOVXSKESA-N 2 0 213.369 0.805 20 0 BCADRP C[C@@H]1C[C@@H](C[NH2+][C@]2(C)CCNC2=O)CC[NH2+]1 ZINC000904469975 637423256 /nfs/dbraw/zinc/42/32/56/637423256.db2.gz SSJZJTMVGZXEDS-JFGNBEQYSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2COC[C@@H]2C2CC2)C1 ZINC000904476942 637427861 /nfs/dbraw/zinc/42/78/61/637427861.db2.gz TZEIPIRXIITETQ-KLHWPWHYSA-N 2 0 210.321 0.738 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000904926640 637530437 /nfs/dbraw/zinc/53/04/37/637530437.db2.gz WQEZGRFFMGSUFP-NEPJUHHUSA-N 2 0 227.352 0.748 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC000905026945 637574120 /nfs/dbraw/zinc/57/41/20/637574120.db2.gz OVIAYFJMKUBHOJ-GFCCVEGCSA-N 2 0 242.363 0.336 20 0 BCADRP CC(C)(C)[NH2+]Cc1cn(CCCC[NH3+])nn1 ZINC000905057474 637591778 /nfs/dbraw/zinc/59/17/78/637591778.db2.gz WXWPNXXIZJDKRC-UHFFFAOYSA-N 2 0 225.340 0.905 20 0 BCADRP C[NH2+]C(C)(C)c1cn(CC[NH+](C)C)nn1 ZINC000905062122 637595107 /nfs/dbraw/zinc/59/51/07/637595107.db2.gz QRYNPTHZMVYBTR-UHFFFAOYSA-N 2 0 211.313 0.294 20 0 BCADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905109393 637614897 /nfs/dbraw/zinc/61/48/97/637614897.db2.gz CBWJURDAKXEMDT-VXGBXAGGSA-N 2 0 244.379 0.582 20 0 BCADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905109390 637615491 /nfs/dbraw/zinc/61/54/91/637615491.db2.gz CBWJURDAKXEMDT-NEPJUHHUSA-N 2 0 244.379 0.582 20 0 BCADRP C[N@H+](C[C@@H](O)CNC/C=C/Cl)C1CC1 ZINC000905707430 637890309 /nfs/dbraw/zinc/89/03/09/637890309.db2.gz JLMMIIFUGDVAPG-FWYAXHSGSA-N 2 0 218.728 0.784 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000906092312 638051240 /nfs/dbraw/zinc/05/12/40/638051240.db2.gz KURLBDPVAZLQPB-TUAOUCFPSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000906092246 638051786 /nfs/dbraw/zinc/05/17/86/638051786.db2.gz WNMHTWXDLAOTFN-GMTAPVOTSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000906092248 638051825 /nfs/dbraw/zinc/05/18/25/638051825.db2.gz WNMHTWXDLAOTFN-MXWKQRLJSA-N 2 0 227.352 0.474 20 0 BCADRP CN(C(=O)[C@@H]1[NH2+]CC1(C)C)c1cc(C[NH3+])ccn1 ZINC000906226540 638118263 /nfs/dbraw/zinc/11/82/63/638118263.db2.gz DIHDSNVAEQIJEZ-NSHDSACASA-N 2 0 248.330 0.501 20 0 BCADRP C[NH+](C)C1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC000908013223 638548401 /nfs/dbraw/zinc/54/84/01/638548401.db2.gz RTUGCTOPFFNAER-UHFFFAOYSA-N 2 0 239.363 0.680 20 0 BCADRP C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000908350595 638661320 /nfs/dbraw/zinc/66/13/20/638661320.db2.gz ZRBIDHMRCYRRSK-NWDGAFQWSA-N 2 0 249.358 0.245 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)[C@H](C)[NH+](C)C)[C@H](C)C1 ZINC000910263946 639397336 /nfs/dbraw/zinc/39/73/36/639397336.db2.gz BOFPDFFIFNEBRZ-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H]1C[C@H](C(=O)N2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000911621782 639683300 /nfs/dbraw/zinc/68/33/00/639683300.db2.gz AUWHNNJOIHSLGX-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C1 ZINC000911624387 639685609 /nfs/dbraw/zinc/68/56/09/639685609.db2.gz RZZBXCJJJVUIBR-FOGDFJRCSA-N 2 0 223.320 0.078 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911624355 639685525 /nfs/dbraw/zinc/68/55/25/639685525.db2.gz RULHUTPFXHRHON-NXEZZACHSA-N 2 0 227.352 0.700 20 0 BCADRP O=C(NC1CC[NH2+]CC1)C12CCC(CC1)[NH2+]2 ZINC000911628032 639686679 /nfs/dbraw/zinc/68/66/79/639686679.db2.gz GIAYUKLHNXMWLE-UHFFFAOYSA-N 2 0 223.320 0.139 20 0 BCADRP [NH3+]CCNC(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1 ZINC000911630273 639689348 /nfs/dbraw/zinc/68/93/48/639689348.db2.gz UAALSRNFDQGADQ-AULYBMBSSA-N 2 0 233.315 0.120 20 0 BCADRP [NH3+]Cc1ccccc1C(=O)NC1CC[NH2+]CC1 ZINC000911629929 639689261 /nfs/dbraw/zinc/68/92/61/639689261.db2.gz NPILSKVTMDESEA-UHFFFAOYSA-N 2 0 233.315 0.627 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000911633248 639691578 /nfs/dbraw/zinc/69/15/78/639691578.db2.gz FVGZHYSBVKKDDX-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])C1 ZINC000911633524 639691753 /nfs/dbraw/zinc/69/17/53/639691753.db2.gz HFTPRWOGAUEOKX-HBNTYKKESA-N 2 0 225.336 0.039 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)C(F)(F)C2CC[NH2+]CC2)C1 ZINC000911661314 639693146 /nfs/dbraw/zinc/69/31/46/639693146.db2.gz UWPJFLIHGAYWLG-SECBINFHSA-N 2 0 247.289 0.181 20 0 BCADRP CC(C)(C[NH3+])CC(=O)N1CCC(C[NH3+])CC1 ZINC000911669725 639696711 /nfs/dbraw/zinc/69/67/11/639696711.db2.gz CCCZDWQWQVNSLD-UHFFFAOYSA-N 2 0 227.352 0.559 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCC(C[NH3+])CC1 ZINC000911670574 639697095 /nfs/dbraw/zinc/69/70/95/639697095.db2.gz MPCWSTFTIQHJJP-ZYHUDNBSSA-N 2 0 239.363 0.429 20 0 BCADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000911671721 639697115 /nfs/dbraw/zinc/69/71/15/639697115.db2.gz AOCFJYVYLVUOSC-PWSUYJOCSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000911670092 639697162 /nfs/dbraw/zinc/69/71/62/639697162.db2.gz HNHQVKDWOUWRGV-UHFFFAOYSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H](O)[C@@H](O)CN(C)CCC[NH+]1CCCC1 ZINC000930310822 639697294 /nfs/dbraw/zinc/69/72/94/639697294.db2.gz PWRLKTDREJZLNV-NEPJUHHUSA-N 2 0 230.352 0.146 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000911672122 639699612 /nfs/dbraw/zinc/69/96/12/639699612.db2.gz AOZVNZVXRAQPGZ-MXWKQRLJSA-N 2 0 225.336 0.100 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]1NCCOc2ccccc21 ZINC000911648255 639704835 /nfs/dbraw/zinc/70/48/35/639704835.db2.gz NYIFRXWYMBCBOI-GFCCVEGCSA-N 2 0 249.314 0.175 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911651887 639706940 /nfs/dbraw/zinc/70/69/40/639706940.db2.gz GPZJXGHVSVPXPQ-ZYHUDNBSSA-N 2 0 227.352 0.557 20 0 BCADRP [NH3+]CCCSCCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000911652160 639707428 /nfs/dbraw/zinc/70/74/28/639707428.db2.gz KWGJEWPWWDSZLJ-SECBINFHSA-N 2 0 231.365 0.018 20 0 BCADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911652383 639708913 /nfs/dbraw/zinc/70/89/13/639708913.db2.gz PWRSKOURODOWBG-BBBLOLIVSA-N 2 0 213.325 0.310 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000911656368 639712449 /nfs/dbraw/zinc/71/24/49/639712449.db2.gz LVJDXKLFVSLYAI-HBNTYKKESA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CCC[NH2+]CC1 ZINC000911656351 639713087 /nfs/dbraw/zinc/71/30/87/639713087.db2.gz NNUGQQJTXKJJCS-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C2=CCC[NH2+]CC2)C1 ZINC000911657574 639713796 /nfs/dbraw/zinc/71/37/96/639713796.db2.gz WHPFHJNKXGVWIN-NSHDSACASA-N 2 0 223.320 0.117 20 0 BCADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCCC[NH2+]C ZINC000911677806 639721226 /nfs/dbraw/zinc/72/12/26/639721226.db2.gz SVWVXEJVIMRNEO-NXEZZACHSA-N 2 0 215.341 0.476 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911682293 639725003 /nfs/dbraw/zinc/72/50/03/639725003.db2.gz AHIVFUGCMPJTMN-LNFKQOIKSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911682291 639725701 /nfs/dbraw/zinc/72/57/01/639725701.db2.gz AHIVFUGCMPJTMN-GWOFURMSSA-N 2 0 225.336 0.310 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911684455 639726112 /nfs/dbraw/zinc/72/61/12/639726112.db2.gz CDQVHISSKOQASR-YTWAJWBKSA-N 2 0 225.336 0.086 20 0 BCADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2C[C@@H]2C[NH3+])c1 ZINC000911687081 639726441 /nfs/dbraw/zinc/72/64/41/639726441.db2.gz CDIGTYRBPMAACC-ZYHUDNBSSA-N 2 0 233.315 0.939 20 0 BCADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)N(C)C1CC[NH2+]CC1 ZINC000911692588 639727791 /nfs/dbraw/zinc/72/77/91/639727791.db2.gz TWGDYTMGJIKDGM-PWSUYJOCSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000911699974 639728745 /nfs/dbraw/zinc/72/87/45/639728745.db2.gz ZMDLFSGBKPKJKJ-JQWIXIFHSA-N 2 0 227.352 0.476 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000911688952 639729108 /nfs/dbraw/zinc/72/91/08/639729108.db2.gz WFTLKZRWUPVXJO-GHMZBOCLSA-N 2 0 227.352 0.490 20 0 BCADRP [NH3+]Cc1ccccc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911694721 639729830 /nfs/dbraw/zinc/72/98/30/639729830.db2.gz BNHGQOPZIFJJMA-SNVBAGLBSA-N 2 0 219.288 0.237 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N(C)C1CC[NH2+]CC1 ZINC000911693827 639729875 /nfs/dbraw/zinc/72/98/75/639729875.db2.gz OVNIQBWQRYDSGO-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC000911697802 639732013 /nfs/dbraw/zinc/73/20/13/639732013.db2.gz DSIDYBBYLOJASK-GMXVVIOVSA-N 2 0 237.347 0.387 20 0 BCADRP C[C@@H]1[NH2+]CCn2c(C(=O)N[C@H]3CC[NH2+]C3)ccc21 ZINC000911698788 639733178 /nfs/dbraw/zinc/73/31/78/639733178.db2.gz KMHBANUUEAEBPJ-UWVGGRQHSA-N 2 0 248.330 0.244 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000911698799 639733427 /nfs/dbraw/zinc/73/34/27/639733427.db2.gz KRARGMRKEVKKHC-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]Cc1ccccc1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911674224 639735273 /nfs/dbraw/zinc/73/52/73/639735273.db2.gz RCIHEEZYMVZKLJ-LLVKDONJSA-N 2 0 233.315 0.627 20 0 BCADRP C[C@@H]1C[C@H](C(=O)NCC2CC[NH2+]CC2)CC[NH2+]1 ZINC000911673320 639735381 /nfs/dbraw/zinc/73/53/81/639735381.db2.gz UXUVCPKWRPUMRV-ZYHUDNBSSA-N 2 0 239.363 0.490 20 0 BCADRP O=C(NCC1CC[NH2+]CC1)C1=CCC[NH2+]CC1 ZINC000911673691 639736331 /nfs/dbraw/zinc/73/63/31/639736331.db2.gz WAZBCAZWYKLQKK-UHFFFAOYSA-N 2 0 237.347 0.412 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000911712819 639739252 /nfs/dbraw/zinc/73/92/52/639739252.db2.gz DSMMWARDWSIWBE-UTUOFQBUSA-N 2 0 239.363 0.701 20 0 BCADRP CC(C)(C[NH3+])CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000911723119 639744864 /nfs/dbraw/zinc/74/48/64/639744864.db2.gz YTLKLMRKHTYXIC-JTQLQIEISA-N 2 0 227.352 0.701 20 0 BCADRP C[NH2+]CCCCC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000911721304 639745017 /nfs/dbraw/zinc/74/50/17/639745017.db2.gz VSVKUJOYITTWNY-VXGBXAGGSA-N 2 0 241.379 0.880 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CC[NH2+]C[C@H]1C ZINC000911723492 639747337 /nfs/dbraw/zinc/74/73/37/639747337.db2.gz DTDCHGYFIRGJAU-GMTAPVOTSA-N 2 0 225.336 0.052 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911723169 639748136 /nfs/dbraw/zinc/74/81/36/639748136.db2.gz ZOYFARXKVNQOJW-MJDLHHQISA-N 2 0 237.347 0.310 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)CC(C)(C)C[NH3+] ZINC000911723745 639749810 /nfs/dbraw/zinc/74/98/10/639749810.db2.gz GVKHRNLZRUNUCQ-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H](NC(=O)C12CC(C1)C[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000911726018 639751152 /nfs/dbraw/zinc/75/11/52/639751152.db2.gz QVDYYXLZRCOEEW-JJOYANBFSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@H](NC(=O)C12CC(C1)C[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000911726020 639751233 /nfs/dbraw/zinc/75/12/33/639751233.db2.gz QVDYYXLZRCOEEW-URAGZPLESA-N 2 0 237.347 0.243 20 0 BCADRP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000911704001 639757698 /nfs/dbraw/zinc/75/76/98/639757698.db2.gz NUGCIUDXEZMPMA-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000911734126 639760376 /nfs/dbraw/zinc/76/03/76/639760376.db2.gz ITABPTAEZPIAOP-MNOVXSKESA-N 2 0 227.352 0.557 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911706119 639760473 /nfs/dbraw/zinc/76/04/73/639760473.db2.gz DEVVFBKKUYIXJM-GHMZBOCLSA-N 2 0 241.379 0.866 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911707364 639761157 /nfs/dbraw/zinc/76/11/57/639761157.db2.gz NALAARREOGFYJD-MDZLAQPJSA-N 2 0 237.347 0.102 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C[C@@H]([NH3+])C(C)(C)C)C1 ZINC000911737274 639761788 /nfs/dbraw/zinc/76/17/88/639761788.db2.gz UHZGOIZFVFCUST-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C1 ZINC000911736075 639763247 /nfs/dbraw/zinc/76/32/47/639763247.db2.gz HGACAAIKDZHMSG-MDZLAQPJSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911737820 639764275 /nfs/dbraw/zinc/76/42/75/639764275.db2.gz ZJNBJSVTMNJBEL-WHOHXGKFSA-N 2 0 237.347 0.052 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])C1 ZINC000911737862 639764438 /nfs/dbraw/zinc/76/44/38/639764438.db2.gz DAUCJXQPOGNTPN-AXFHLTTASA-N 2 0 227.352 0.557 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911741454 639769143 /nfs/dbraw/zinc/76/91/43/639769143.db2.gz SIVRQIFRWUQZDR-IUCAKERBSA-N 2 0 215.341 0.603 20 0 BCADRP C[NH2+]CCNC(=O)[C@H](C[NH3+])C1CCCCCC1 ZINC000911748348 639772487 /nfs/dbraw/zinc/77/24/87/639772487.db2.gz LQQUHSPPXFFQSO-GFCCVEGCSA-N 2 0 241.379 0.867 20 0 BCADRP C[NH2+]CCNC(=O)c1ccc2n1CC[NH2+][C@H]2C ZINC000911747407 639772561 /nfs/dbraw/zinc/77/25/61/639772561.db2.gz GCJPNWCZASEEOA-VIFPVBQESA-N 2 0 236.319 0.102 20 0 BCADRP C[NH2+]CCNC(=O)c1ccc2c(c1)OCC[NH2+]C2 ZINC000911749226 639775035 /nfs/dbraw/zinc/77/50/35/639775035.db2.gz ZAFFFAVWZKUPDJ-UHFFFAOYSA-N 2 0 249.314 0.118 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@](C)(C[NH3+])CC(C)C ZINC000911750453 639775210 /nfs/dbraw/zinc/77/52/10/639775210.db2.gz JYSDQPCIGIJIJZ-GFCCVEGCSA-N 2 0 229.368 0.723 20 0 BCADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000911752109 639778779 /nfs/dbraw/zinc/77/87/79/639778779.db2.gz JZXKVEZGVDZCTP-KOLCDFICSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000911753002 639780810 /nfs/dbraw/zinc/78/08/10/639780810.db2.gz WUOSPKWFRSFLMZ-GFCCVEGCSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)NCC[NH2+]C1CC1 ZINC000911752968 639781164 /nfs/dbraw/zinc/78/11/64/639781164.db2.gz VLYLQVZAYHJKDZ-SNVBAGLBSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)CC(C)(C)C[NH3+])CC1 ZINC000911753187 639782730 /nfs/dbraw/zinc/78/27/30/639782730.db2.gz JMTMSKXMRJYIRT-SNVBAGLBSA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)NC(C)(C)C[NH3+] ZINC000911762984 639788067 /nfs/dbraw/zinc/78/80/67/639788067.db2.gz UUBIWUZANJIAHD-MRVPVSSYSA-N 2 0 215.341 0.603 20 0 BCADRP [NH3+]CCOc1cccc(NC(=O)[C@@H]2C[C@@H]2C[NH3+])c1 ZINC000911762698 639788245 /nfs/dbraw/zinc/78/82/45/639788245.db2.gz ZEBFKQUCNQTTIC-BXKDBHETSA-N 2 0 249.314 0.557 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000911733883 639789408 /nfs/dbraw/zinc/78/94/08/639789408.db2.gz DGPOIOMIJMOYJF-MXWKQRLJSA-N 2 0 225.336 0.311 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C12CCC(CC1)[NH2+]2 ZINC000911763393 639790396 /nfs/dbraw/zinc/79/03/96/639790396.db2.gz WWOSZYJFLCMRSX-UHFFFAOYSA-N 2 0 239.363 0.775 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911765550 639790814 /nfs/dbraw/zinc/79/08/14/639790814.db2.gz BTCRJQZGDHMFDV-QWRGUYRKSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911765549 639790998 /nfs/dbraw/zinc/79/09/98/639790998.db2.gz BTCRJQZGDHMFDV-MNOVXSKESA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)NC(C)(C)C[NH3+] ZINC000911764930 639791613 /nfs/dbraw/zinc/79/16/13/639791613.db2.gz PSHWVSKGXRNJPE-VIFPVBQESA-N 2 0 215.341 0.603 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911768002 639793086 /nfs/dbraw/zinc/79/30/86/639793086.db2.gz NXIKFVIGBWYXHZ-TUAOUCFPSA-N 2 0 241.379 0.866 20 0 BCADRP [NH3+][C@@H]1C[C@H](C(=O)NCC[C@H]2CC[NH2+]C2)[C@H]2C[C@H]21 ZINC000911767266 639794328 /nfs/dbraw/zinc/79/43/28/639794328.db2.gz ITHVDGNGVQPNSE-CSYMLDBXSA-N 2 0 237.347 0.086 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911774528 639796363 /nfs/dbraw/zinc/79/63/63/639796363.db2.gz JHTZTDICSLQNAM-SDDRHHMPSA-N 2 0 239.363 0.620 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]([NH3+])CC(C)C)C1 ZINC000911777867 639797113 /nfs/dbraw/zinc/79/71/13/639797113.db2.gz MEZZRIKTUKKFPG-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911813903 639801500 /nfs/dbraw/zinc/80/15/00/639801500.db2.gz PKFXRNYEAAUFAN-USZNOCQGSA-N 2 0 239.363 0.332 20 0 BCADRP C[NH2+]C1CC(C(=O)N[C@@H](C[NH3+])CC(C)C)C1 ZINC000911814572 639803700 /nfs/dbraw/zinc/80/37/00/639803700.db2.gz UELXFMDMOAULEV-VQXHTEKXSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911789872 639806651 /nfs/dbraw/zinc/80/66/51/639806651.db2.gz XROYASQQUFQXPK-DGCLKSJQSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911789847 639806988 /nfs/dbraw/zinc/80/69/88/639806988.db2.gz XCJBZMHOOGKIAH-GMTAPVOTSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[C@H](C)[NH2+]1 ZINC000911794491 639808640 /nfs/dbraw/zinc/80/86/40/639808640.db2.gz GAVSTVWVFCPDNM-KKJSVHSVSA-N 2 0 237.347 0.336 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000911797509 639819287 /nfs/dbraw/zinc/81/92/87/639819287.db2.gz RIUATWNBVRKOLA-NOOOWODRSA-N 2 0 239.363 0.441 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000911798848 639821000 /nfs/dbraw/zinc/82/10/00/639821000.db2.gz XHMFPAAGKWVXKK-BJDJZHNGSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)CC1CC([NH3+])C1)C1CC1 ZINC000911799416 639821244 /nfs/dbraw/zinc/82/12/44/639821244.db2.gz HOPCADPOPADEIN-VCJLRHCSSA-N 2 0 225.336 0.357 20 0 BCADRP C[NH2+]C1CC(C(=O)NC2(C[NH3+])CCCC2)C1 ZINC000911800853 639822428 /nfs/dbraw/zinc/82/24/28/639822428.db2.gz VHXQDVVDYGUENG-UHFFFAOYSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC1 ZINC000911801592 639822850 /nfs/dbraw/zinc/82/28/50/639822850.db2.gz DBIYEKQQNGYXSG-WGBDABJCSA-N 2 0 237.347 0.371 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911801647 639824078 /nfs/dbraw/zinc/82/40/78/639824078.db2.gz FJRQUYNXJPMFBE-UFGOTCBOSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@H]1CN(C(=O)C[C@@H]([NH3+])C(C)(C)C)CC[NH2+]1 ZINC000911810039 639830801 /nfs/dbraw/zinc/83/08/01/639830801.db2.gz KQCOMRLTMIBCOU-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911812398 639834466 /nfs/dbraw/zinc/83/44/66/639834466.db2.gz GULZNORCPQAYAF-ZIQFBCGOSA-N 2 0 239.363 0.459 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000911813115 639834736 /nfs/dbraw/zinc/83/47/36/639834736.db2.gz LWMKMDCVCBEEDT-OPRDCNLKSA-N 2 0 213.325 0.038 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000911824977 639837370 /nfs/dbraw/zinc/83/73/70/639837370.db2.gz FIWOIUBCPCVFQD-HBNTYKKESA-N 2 0 229.368 0.849 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])[C@H]1C[NH3+] ZINC000911825971 639838000 /nfs/dbraw/zinc/83/80/00/639838000.db2.gz PGDUAVDGAAAHRQ-ZDCRXTMVSA-N 2 0 225.336 0.167 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000911824975 639838175 /nfs/dbraw/zinc/83/81/75/639838175.db2.gz FIWOIUBCPCVFQD-DCAQKATOSA-N 2 0 229.368 0.849 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911828086 639839001 /nfs/dbraw/zinc/83/90/01/639839001.db2.gz YXIPBJHATONIFT-UMNHJUIQSA-N 2 0 225.336 0.086 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C23CC(C2)C[NH2+]3)C1 ZINC000911827619 639839935 /nfs/dbraw/zinc/83/99/35/639839935.db2.gz XQOVWSUOXKFSHH-URAGZPLESA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C12CCC(CC1)[NH2+]2 ZINC000911829058 639841059 /nfs/dbraw/zinc/84/10/59/639841059.db2.gz GYYYPGNGGZJXFH-YZRBJQDESA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911834472 639845865 /nfs/dbraw/zinc/84/58/65/639845865.db2.gz VHYWPGWEABSCPV-SBFPOUOMSA-N 2 0 239.363 0.617 20 0 BCADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[C@H]1[NH3+] ZINC000911817020 639848056 /nfs/dbraw/zinc/84/80/56/639848056.db2.gz FORJZBKMUQUPDV-VHSXEESVSA-N 2 0 225.336 0.276 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000911817073 639848943 /nfs/dbraw/zinc/84/89/43/639848943.db2.gz AORNJXXYUCFUOE-IJLUTSLNSA-N 2 0 241.379 0.864 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)CC1CC([NH3+])C1 ZINC000911858949 639850339 /nfs/dbraw/zinc/85/03/39/639850339.db2.gz YJMYKFVCJCENFH-UHFFFAOYSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H]1CN(C(=O)C2=CCC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000911818401 639850632 /nfs/dbraw/zinc/85/06/32/639850632.db2.gz MLJFPKZXEJJTIR-CMPLNLGQSA-N 2 0 237.347 0.492 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]([NH3+])CCSC ZINC000911864613 639851531 /nfs/dbraw/zinc/85/15/31/639851531.db2.gz SGFMSNCEXFKJJX-NXEZZACHSA-N 2 0 245.392 0.277 20 0 BCADRP C[NH2+]CCCCC(=O)N(C)CC(C)(C)C[NH3+] ZINC000911864043 639851640 /nfs/dbraw/zinc/85/16/40/639851640.db2.gz GCVZYQDUKWVRPK-UHFFFAOYSA-N 2 0 229.368 0.819 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]([NH3+])CC(C)C ZINC000911868460 639853315 /nfs/dbraw/zinc/85/33/15/639853315.db2.gz PWNUEXLCHHAPPD-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1C[C@H](C(=O)N(C)CC(C)(C)C[NH3+])CC[NH2+]1 ZINC000911868307 639853438 /nfs/dbraw/zinc/85/34/38/639853438.db2.gz QHEFNEINPLKBFY-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH2+]C ZINC000911869527 639853475 /nfs/dbraw/zinc/85/34/75/639853475.db2.gz WMIHKBSJNMQOAL-SDDRHHMPSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000911868158 639853534 /nfs/dbraw/zinc/85/35/34/639853534.db2.gz NIEOQMZMVQIPTP-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)NCC(C)(C)[NH3+] ZINC000911846097 639854313 /nfs/dbraw/zinc/85/43/13/639854313.db2.gz MUIBMQHSOLUAGH-QMMMGPOBSA-N 2 0 233.381 0.310 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911844974 639854549 /nfs/dbraw/zinc/85/45/49/639854549.db2.gz ICSBPBBSRSLEEX-VWYCJHECSA-N 2 0 237.347 0.052 20 0 BCADRP CC(C)([NH3+])CNC(=O)c1ccccc1C[NH3+] ZINC000911847762 639856927 /nfs/dbraw/zinc/85/69/27/639856927.db2.gz OPUDUNQJXIUYPC-UHFFFAOYSA-N 2 0 221.304 0.612 20 0 BCADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000911847437 639856985 /nfs/dbraw/zinc/85/69/85/639856985.db2.gz WPLOEAXKKGQRQQ-RKDXNWHRSA-N 2 0 215.341 0.603 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CC[NH2+]CC2(C)C)C1 ZINC000911848777 639857694 /nfs/dbraw/zinc/85/76/94/639857694.db2.gz XCQNMFUDIAQIAL-UHFFFAOYSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)(C[NH3+])CC(=O)N1CC[NH2+]CC1(C)C ZINC000911848972 639858052 /nfs/dbraw/zinc/85/80/52/639858052.db2.gz XRTXPUHMQXLTTM-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)CC(C)(C)C[NH3+] ZINC000911856849 639859396 /nfs/dbraw/zinc/85/93/96/639859396.db2.gz CKELBPTUQPHEIF-UHFFFAOYSA-N 2 0 229.368 0.995 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000911853273 639860153 /nfs/dbraw/zinc/86/01/53/639860153.db2.gz YYKKXPKFNNLFRI-VXGBXAGGSA-N 2 0 239.363 0.809 20 0 BCADRP O=C([C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911854989 639860498 /nfs/dbraw/zinc/86/04/98/639860498.db2.gz BNEZSBRETKHNKL-KSSYENDESA-N 2 0 249.358 0.480 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)CC1CC([NH3+])C1 ZINC000911878515 639864717 /nfs/dbraw/zinc/86/47/17/639864717.db2.gz HZASPIXVGCWARU-ILDUYXDCSA-N 2 0 227.352 0.748 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911880310 639866572 /nfs/dbraw/zinc/86/65/72/639866572.db2.gz TZCZIYRFKJIZJT-LOWVWBTDSA-N 2 0 239.363 0.620 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911880171 639867040 /nfs/dbraw/zinc/86/70/40/639867040.db2.gz SOSXQYATWAWWST-KXUCPTDWSA-N 2 0 213.325 0.215 20 0 BCADRP [NH3+]CCCCCC(=O)N1CCC[NH2+]CC1 ZINC000035738375 639889226 /nfs/dbraw/zinc/88/92/26/639889226.db2.gz NGCKSHUUWYIEDI-UHFFFAOYSA-N 2 0 213.325 0.327 20 0 BCADRP CC[C@@H](C(=O)OC)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931430426 640199311 /nfs/dbraw/zinc/19/93/11/640199311.db2.gz BTKMDEIJEKRUJJ-TUAOUCFPSA-N 2 0 240.347 0.822 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](CCc3cn[nH]c3)C[C@@H]2C1 ZINC000931436276 640202568 /nfs/dbraw/zinc/20/25/68/640202568.db2.gz GKGPZQNHHYHVRI-OLZOCXBDSA-N 2 0 234.347 0.836 20 0 BCADRP CO[C@H](C)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436037 640202860 /nfs/dbraw/zinc/20/28/60/640202860.db2.gz JZBDYXNRHJQAQH-GRYCIOLGSA-N 2 0 212.337 0.905 20 0 BCADRP C[C@@H](CO)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931438293 640202924 /nfs/dbraw/zinc/20/29/24/640202924.db2.gz JJLZHANMASVHCV-GRYCIOLGSA-N 2 0 212.337 0.498 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](CCc3c[nH]nn3)C[C@@H]2C1 ZINC000931439712 640205327 /nfs/dbraw/zinc/20/53/27/640205327.db2.gz YCQMFZVUAOYHJL-MNOVXSKESA-N 2 0 235.335 0.231 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CCC[NH2+]CC1 ZINC000129470325 640208954 /nfs/dbraw/zinc/20/89/54/640208954.db2.gz RWZXFXBUHOEDBF-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP Cn1cncc1CN1CCc2[nH+]ccc(N)c2C1 ZINC000931512158 640240745 /nfs/dbraw/zinc/24/07/45/640240745.db2.gz FQJDBWKHSAJMJG-UHFFFAOYSA-N 2 0 243.314 0.956 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912917662 640243507 /nfs/dbraw/zinc/24/35/07/640243507.db2.gz LEIWJVAMEUETQD-GFCCVEGCSA-N 2 0 239.363 0.635 20 0 BCADRP Cc1cncn1CC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912902108 640247331 /nfs/dbraw/zinc/24/73/31/640247331.db2.gz DIJOKWJTVRTWKY-LBPRGKRZSA-N 2 0 248.330 0.498 20 0 BCADRP COCC(COC)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000931548312 640266819 /nfs/dbraw/zinc/26/68/19/640266819.db2.gz IEESKNSQAJRMGQ-DGCLKSJQSA-N 2 0 242.363 0.674 20 0 BCADRP CCNC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931726306 640338634 /nfs/dbraw/zinc/33/86/34/640338634.db2.gz LOKBOEGSUBFKCK-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000044517967 640399553 /nfs/dbraw/zinc/39/95/53/640399553.db2.gz ROBNUKNTFLUQLA-NSHDSACASA-N 2 0 246.376 0.105 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044651689 640448781 /nfs/dbraw/zinc/44/87/81/640448781.db2.gz MNASCCLDJCHJMI-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP C[C@@H](CNC(=O)C(C)(C)C[NH3+])[NH+]1CCCCC1 ZINC000044995379 640480645 /nfs/dbraw/zinc/48/06/45/640480645.db2.gz LTUQAHZHYNJGNF-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000224902977 640647794 /nfs/dbraw/zinc/64/77/94/640647794.db2.gz RFVZFHMYSPLBAE-VWYCJHECSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]([NH3+])c1cn(CC[NH+]2CCCC2)nn1 ZINC000167121077 640702382 /nfs/dbraw/zinc/70/23/82/640702382.db2.gz UHPIEVJORZHBBC-SECBINFHSA-N 2 0 209.297 0.394 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000167450341 640720833 /nfs/dbraw/zinc/72/08/33/640720833.db2.gz UBJAMWBSDOZDFD-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP C[N@@H+]1C[C@@H]2CN(C[C@@](C)(O)C(F)F)C[C@]2(C)C1 ZINC000933732515 640753898 /nfs/dbraw/zinc/75/38/98/640753898.db2.gz LEPIXRLKVSKWCN-ADEWGFFLSA-N 2 0 248.317 0.886 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000226398994 640760680 /nfs/dbraw/zinc/76/06/80/640760680.db2.gz HHLRZKMYBHUVNT-SECBINFHSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000226677863 640788349 /nfs/dbraw/zinc/78/83/49/640788349.db2.gz AFJPWIFIOYLWDJ-QWRGUYRKSA-N 2 0 200.326 0.689 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CC[N@@H+]1C ZINC000158110226 640806581 /nfs/dbraw/zinc/80/65/81/640806581.db2.gz GQXVTZVLTGISIL-MNOVXSKESA-N 2 0 240.351 0.084 20 0 BCADRP C[C@@H]1OCC[C@@]1(O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000227126756 640816310 /nfs/dbraw/zinc/81/63/10/640816310.db2.gz SEZULNSBGRULJQ-WCQYABFASA-N 2 0 242.363 0.458 20 0 BCADRP C[NH+]1CCC(C)(CNC(=[NH2+])NC2CC2)CC1 ZINC000227196298 640819158 /nfs/dbraw/zinc/81/91/58/640819158.db2.gz YNWFTTBPUNQPFV-UHFFFAOYSA-N 2 0 224.352 0.995 20 0 BCADRP CC(C)(O)C(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000227347040 640829074 /nfs/dbraw/zinc/82/90/74/640829074.db2.gz LPJXADLGXOLNRK-LLVKDONJSA-N 2 0 244.379 0.582 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000062076426 641018010 /nfs/dbraw/zinc/01/80/10/641018010.db2.gz WFDUTLASPTWLTF-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP C[C@@]1(C(=O)NCC[NH+]2CCCC2)CCC[NH2+]C1 ZINC000062853733 641098180 /nfs/dbraw/zinc/09/81/80/641098180.db2.gz RZJMGAASUQBELO-CYBMUJFWSA-N 2 0 239.363 0.588 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062904278 641105964 /nfs/dbraw/zinc/10/59/64/641105964.db2.gz IPXRMUXOPLROKL-LBPRGKRZSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062889248 641106309 /nfs/dbraw/zinc/10/63/09/641106309.db2.gz AOKGITRHDLGVTH-ZDUSSCGKSA-N 2 0 241.379 0.834 20 0 BCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC000063179876 641146076 /nfs/dbraw/zinc/14/60/76/641146076.db2.gz NHAJOYNDNATXMF-XCRNYIDWSA-N 2 0 245.754 0.526 20 0 BCADRP [NH3+]C[C@H]1CC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307943013 641197535 /nfs/dbraw/zinc/19/75/35/641197535.db2.gz QVVPKYPKTRISSR-SFYZADRCSA-N 2 0 226.242 0.580 20 0 BCADRP C[NH+]1CCN(c2cc[nH+]cc2CO)CC1 ZINC000088110084 641314802 /nfs/dbraw/zinc/31/48/02/641314802.db2.gz PCDQVPKANKYHEH-UHFFFAOYSA-N 2 0 207.277 0.326 20 0 BCADRP C[C@H](O)[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929697791 641405985 /nfs/dbraw/zinc/40/59/85/641405985.db2.gz VDFIXAATMBOGRJ-YNEHKIRRSA-N 2 0 242.363 0.146 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913635702 641437047 /nfs/dbraw/zinc/43/70/47/641437047.db2.gz MVBSAQZPVKWNSQ-LLVKDONJSA-N 2 0 237.347 0.293 20 0 BCADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2([NH3+])CC2)C1 ZINC000572833658 641614126 /nfs/dbraw/zinc/61/41/26/641614126.db2.gz BHBUPWOXQVLCFX-GHMZBOCLSA-N 2 0 237.347 0.420 20 0 BCADRP C[N@@H+]1CC[C@H]1CNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000914315615 641637389 /nfs/dbraw/zinc/63/73/89/641637389.db2.gz WDUNGMYMHYRMIR-QWRGUYRKSA-N 2 0 240.351 0.084 20 0 BCADRP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000914391400 641658520 /nfs/dbraw/zinc/65/85/20/641658520.db2.gz IHKBVFVXHJBIDT-QWRGUYRKSA-N 2 0 240.351 0.084 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000226746680 641724553 /nfs/dbraw/zinc/72/45/53/641724553.db2.gz JJASWJRYSCMDFX-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000191987361 641954179 /nfs/dbraw/zinc/95/41/79/641954179.db2.gz BFFPHDIFHAZJGI-OPRDCNLKSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)CCCCC[NH3+] ZINC000154135386 641966558 /nfs/dbraw/zinc/96/65/58/641966558.db2.gz NPQYOYLQFGKCDK-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP O=C(C[NH+]1CCCC1)NC1CN(CCCF)C1 ZINC001031389490 642055964 /nfs/dbraw/zinc/05/59/64/642055964.db2.gz PECKQYFDUJRSTR-UHFFFAOYSA-N 2 0 243.326 0.242 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@@H](C)O)[C@@H](C)C1 ZINC000930001294 642141587 /nfs/dbraw/zinc/14/15/87/642141587.db2.gz TWYLNFHRMNJHSV-RNJOBUHISA-N 2 0 244.379 0.390 20 0 BCADRP C[NH+](C)CCNC(=S)N[C@@H]1CCC[N@H+](C)C1 ZINC000918720124 642257787 /nfs/dbraw/zinc/25/77/87/642257787.db2.gz SNCMURBJHBPGKZ-SNVBAGLBSA-N 2 0 244.408 0.106 20 0 BCADRP O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@]1(F)CC[NH2+]C1 ZINC000160744852 642316522 /nfs/dbraw/zinc/31/65/22/642316522.db2.gz MKNAVXDBQAQDLH-UMNHJUIQSA-N 2 0 241.310 0.041 20 0 BCADRP Cc1nonc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000069795072 642411199 /nfs/dbraw/zinc/41/11/99/642411199.db2.gz ACTSFXFUSOLDFU-UHFFFAOYSA-N 2 0 224.308 0.809 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000155184791 642436426 /nfs/dbraw/zinc/43/64/26/642436426.db2.gz DUACZGFKJFRMSW-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000891403535 642483677 /nfs/dbraw/zinc/48/36/77/642483677.db2.gz SFVKWVMZGDKEIH-GMTAPVOTSA-N 2 0 240.351 0.212 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000891403538 642483871 /nfs/dbraw/zinc/48/38/71/642483871.db2.gz SFVKWVMZGDKEIH-VWYCJHECSA-N 2 0 240.351 0.212 20 0 BCADRP COCCOCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253230126 642632385 /nfs/dbraw/zinc/63/23/85/642632385.db2.gz LUYVQBQPOCSJOK-NWDGAFQWSA-N 2 0 230.352 0.566 20 0 BCADRP CC[N@H+](CCC(N)=O)C[C@H]1CCC[NH2+]C1 ZINC000233428458 642669113 /nfs/dbraw/zinc/66/91/13/642669113.db2.gz JIKGVJYFLJFTDE-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP CC[C@@]1(C(=O)NCC[NH+]2CCCC2)CCC[NH2+]1 ZINC000179871243 642750707 /nfs/dbraw/zinc/75/07/07/642750707.db2.gz XNJBNVGXDQDJOI-ZDUSSCGKSA-N 2 0 239.363 0.731 20 0 BCADRP [NH3+]CCCCCCC(=O)NCC[NH2+]C1CC1 ZINC000237984714 642771301 /nfs/dbraw/zinc/77/13/01/642771301.db2.gz KBQLXHWPIHNNGP-UHFFFAOYSA-N 2 0 227.352 0.764 20 0 BCADRP CN1CC[N@H+](C)C[C@H]1CNC(=[NH2+])NC(C)(C)C ZINC000068808945 642802000 /nfs/dbraw/zinc/80/20/00/642802000.db2.gz IXSUYILAFPQEEL-SNVBAGLBSA-N 2 0 241.383 0.145 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000068890891 642806267 /nfs/dbraw/zinc/80/62/67/642806267.db2.gz ITYHMKRSPRLNGQ-VWYCJHECSA-N 2 0 216.325 0.053 20 0 BCADRP CC[NH2+]CC1CC[NH+](C[C@@H](O)COC)CC1 ZINC000068892391 642806431 /nfs/dbraw/zinc/80/64/31/642806431.db2.gz WLVMEGJOGGJEFN-GFCCVEGCSA-N 2 0 230.352 0.315 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000968990180 642820744 /nfs/dbraw/zinc/82/07/44/642820744.db2.gz WMMPXVGSEMJLPO-NEPJUHHUSA-N 2 0 241.379 0.783 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000968912644 642821242 /nfs/dbraw/zinc/82/12/42/642821242.db2.gz NOUYZUHILJVCHJ-NEPJUHHUSA-N 2 0 239.363 0.537 20 0 BCADRP CCOC[C@H](O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000069729951 642898151 /nfs/dbraw/zinc/89/81/51/642898151.db2.gz GEILQGNCSJHUBR-GFCCVEGCSA-N 2 0 230.352 0.445 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]C(C)C)C1)[NH+](C)C ZINC001019033498 643019259 /nfs/dbraw/zinc/01/92/59/643019259.db2.gz QHENUCFPZYDOFO-NWDGAFQWSA-N 2 0 241.379 0.926 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001019383992 643029651 /nfs/dbraw/zinc/02/96/51/643029651.db2.gz RMJFZQFYTMXSOP-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001020022560 643051913 /nfs/dbraw/zinc/05/19/13/643051913.db2.gz BFQQTCPVKABHKH-IJLUTSLNSA-N 2 0 239.363 0.727 20 0 BCADRP CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031976969 643148170 /nfs/dbraw/zinc/14/81/70/643148170.db2.gz UQGNMWQSFJVUDE-JQWIXIFHSA-N 2 0 239.363 0.252 20 0 BCADRP C=CCNC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000066245830 643165295 /nfs/dbraw/zinc/16/52/95/643165295.db2.gz YQPITYCRSWEPQU-UHFFFAOYSA-N 2 0 210.325 0.419 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000969985372 643261807 /nfs/dbraw/zinc/26/18/07/643261807.db2.gz FPZMPFCDPGANAM-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP [NH3+]C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000655505058 643267101 /nfs/dbraw/zinc/26/71/01/643267101.db2.gz PCPVYTIWLMAMKJ-RQJHMYQMSA-N 2 0 239.241 0.134 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000655505056 643268129 /nfs/dbraw/zinc/26/81/29/643268129.db2.gz PCPVYTIWLMAMKJ-NKWVEPMBSA-N 2 0 239.241 0.134 20 0 BCADRP C[NH+](C)C[C@H]1CC[N@H+](CC[C@H]2CCOC2=O)C1 ZINC000247047889 643338935 /nfs/dbraw/zinc/33/89/35/643338935.db2.gz VBPBPVGRASWCHZ-NEPJUHHUSA-N 2 0 240.347 0.823 20 0 BCADRP CC(C)[NH+]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000082560456 643342403 /nfs/dbraw/zinc/34/24/03/643342403.db2.gz YQSSCMLOMBTHLF-OLZOCXBDSA-N 2 0 225.380 0.868 20 0 BCADRP C[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252415948 643379611 /nfs/dbraw/zinc/37/96/11/643379611.db2.gz MRFTYXKMWQVWNS-QJPTWQEYSA-N 2 0 212.337 0.831 20 0 BCADRP CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001021044636 643393734 /nfs/dbraw/zinc/39/37/34/643393734.db2.gz PELUPSZZGRUGHA-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCF)C2)C1 ZINC001021049918 643395272 /nfs/dbraw/zinc/39/52/72/643395272.db2.gz YLGYBOMCXWYNEE-DCAQKATOSA-N 2 0 243.326 0.144 20 0 BCADRP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000733868859 643475963 /nfs/dbraw/zinc/47/59/63/643475963.db2.gz CTIIUWRBHJATQY-VXGBXAGGSA-N 2 0 241.379 0.783 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000970718447 643511658 /nfs/dbraw/zinc/51/16/58/643511658.db2.gz VEEIELLVVKGGJM-LLVKDONJSA-N 2 0 225.336 0.293 20 0 BCADRP CC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC000999834098 643741479 /nfs/dbraw/zinc/74/14/79/643741479.db2.gz QWPXNCUQIOLCCD-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063123879 643812191 /nfs/dbraw/zinc/81/21/91/643812191.db2.gz NZBRGFMIZTYXAK-SECBINFHSA-N 2 0 213.325 0.134 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063123988 643812916 /nfs/dbraw/zinc/81/29/16/643812916.db2.gz LRPHHSGGOGPCMT-GFCCVEGCSA-N 2 0 241.379 0.770 20 0 BCADRP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000085973161 643869887 /nfs/dbraw/zinc/86/98/87/643869887.db2.gz PIVMULYHPFKVKT-JTQLQIEISA-N 2 0 221.304 0.876 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC000922160551 643880759 /nfs/dbraw/zinc/88/07/59/643880759.db2.gz VHFSWPMCTCYTFQ-LLVKDONJSA-N 2 0 225.336 0.293 20 0 BCADRP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000922744198 644085664 /nfs/dbraw/zinc/08/56/64/644085664.db2.gz WWFAPAZHVNDOAH-AXFHLTTASA-N 2 0 242.367 0.328 20 0 BCADRP COC[C@@H]1COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000923274275 644306009 /nfs/dbraw/zinc/30/60/09/644306009.db2.gz SBCWDUPJSPOAOF-GFCCVEGCSA-N 2 0 228.336 0.333 20 0 BCADRP CCOCC[C@@H](O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000923283419 644309455 /nfs/dbraw/zinc/30/94/55/644309455.db2.gz BQXRGCGCWRRGGZ-DGCLKSJQSA-N 2 0 244.379 0.833 20 0 BCADRP CSC[C@@H](O)C[NH+]1CCC([NH3+])CC1 ZINC000923278061 644312153 /nfs/dbraw/zinc/31/21/53/644312153.db2.gz XCSYALVZTMIERT-VIFPVBQESA-N 2 0 204.339 0.133 20 0 BCADRP CCOCCOCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000923280146 644312263 /nfs/dbraw/zinc/31/22/63/644312263.db2.gz GZVCSQIAVJJWFE-GFCCVEGCSA-N 2 0 230.352 0.710 20 0 BCADRP CCOCCOCC[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000923281031 644315059 /nfs/dbraw/zinc/31/50/59/644315059.db2.gz CMXUSLUOJLAXPV-CYBMUJFWSA-N 2 0 244.379 0.971 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000923282532 644317161 /nfs/dbraw/zinc/31/71/61/644317161.db2.gz VKBZOBVLSCVCOL-QWRGUYRKSA-N 2 0 216.325 0.055 20 0 BCADRP COC[C@H](O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923282972 644317797 /nfs/dbraw/zinc/31/77/97/644317797.db2.gz VYZKZAOZLQENDC-GFCCVEGCSA-N 2 0 228.336 0.210 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923288969 644323083 /nfs/dbraw/zinc/32/30/83/644323083.db2.gz NGLNVBOQDKMGBI-IVZWLZJFSA-N 2 0 218.366 0.379 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H](O)CCOC(C)C)C1 ZINC000923289182 644324353 /nfs/dbraw/zinc/32/43/53/644324353.db2.gz GPRYPHSLHSJVQL-CHWSQXEVSA-N 2 0 244.379 0.704 20 0 BCADRP CCOCC[C@@H](O)C[N@H+](C)CCC[NH3+] ZINC000923290676 644326983 /nfs/dbraw/zinc/32/69/83/644326983.db2.gz IZVHTPRNTNAVHU-SNVBAGLBSA-N 2 0 204.314 0.055 20 0 BCADRP CSC[C@H](O)CN1CCC[C@H]1C[NH3+] ZINC000923292313 644328563 /nfs/dbraw/zinc/32/85/63/644328563.db2.gz HRHLEHHAVFWSBL-DTWKUNHWSA-N 2 0 204.339 0.133 20 0 BCADRP CC(C)OCC[C@H](O)CN1CCC[C@@H]1C[NH3+] ZINC000923293113 644328913 /nfs/dbraw/zinc/32/89/13/644328913.db2.gz NLYJYAOCFASQNV-NEPJUHHUSA-N 2 0 230.352 0.586 20 0 BCADRP C[N@H+](CCC[NH3+])C[C@H](O)COc1ccccc1 ZINC000923292621 644330789 /nfs/dbraw/zinc/33/07/89/644330789.db2.gz XDXAPLNGQBTCQP-LBPRGKRZSA-N 2 0 238.331 0.707 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923294590 644332436 /nfs/dbraw/zinc/33/24/36/644332436.db2.gz KEYQKDMGEJPASZ-NWDGAFQWSA-N 2 0 239.363 0.049 20 0 BCADRP CC(C)OC[C@H](O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000923295852 644333406 /nfs/dbraw/zinc/33/34/06/644333406.db2.gz IXMBYPQMININRO-VXGBXAGGSA-N 2 0 230.352 0.489 20 0 BCADRP CC(C)COC[C@@H](O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000923296311 644334156 /nfs/dbraw/zinc/33/41/56/644334156.db2.gz QKJHHLKWURZEMJ-QWHCGFSZSA-N 2 0 244.379 0.737 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(CCC[NH2+]C2CC2)CCO1 ZINC000923296134 644334518 /nfs/dbraw/zinc/33/45/18/644334518.db2.gz CYSOTNKFWZAMEX-CMPLNLGQSA-N 2 0 227.352 0.177 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(CCC[NH2+]C2CC2)CCO1 ZINC000923296135 644335753 /nfs/dbraw/zinc/33/57/53/644335753.db2.gz CYSOTNKFWZAMEX-JQWIXIFHSA-N 2 0 227.352 0.177 20 0 BCADRP C([C@H]1CC2(C[NH2+]C2)CO1)[NH+]1CCSCC1 ZINC000923301012 644339065 /nfs/dbraw/zinc/33/90/65/644339065.db2.gz NHQPTOADYPJOHA-SNVBAGLBSA-N 2 0 228.361 0.414 20 0 BCADRP CC[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923305427 644340523 /nfs/dbraw/zinc/34/05/23/644340523.db2.gz IEOOIZGKTVIJKC-RHYQMDGZSA-N 2 0 212.337 0.959 20 0 BCADRP C[C@@H]1COC[C@H](C)[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923314163 644341204 /nfs/dbraw/zinc/34/12/04/644341204.db2.gz RBFZAFJFMYNGHT-TUAOUCFPSA-N 2 0 240.347 0.474 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC3(C2)CCOCC3)C1 ZINC000923314096 644341581 /nfs/dbraw/zinc/34/15/81/644341581.db2.gz DASAAZPZXYOTRC-SRVKXCTJSA-N 2 0 240.347 0.340 20 0 BCADRP COC(C)(C)C[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923318109 644343737 /nfs/dbraw/zinc/34/37/37/644343737.db2.gz ICCUPZCCFDTGCP-LLVKDONJSA-N 2 0 242.363 0.722 20 0 BCADRP C[C@@H]1C[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C ZINC000923317156 644343954 /nfs/dbraw/zinc/34/39/54/644343954.db2.gz VBSNDMQZPGRNBM-IJLUTSLNSA-N 2 0 224.348 0.953 20 0 BCADRP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCOC1 ZINC000923311055 644346653 /nfs/dbraw/zinc/34/66/53/644346653.db2.gz GDERFQOKEFEXQD-QWRGUYRKSA-N 2 0 226.320 0.086 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923331084 644349565 /nfs/dbraw/zinc/34/95/65/644349565.db2.gz BKRACUHCHONBFV-GRYCIOLGSA-N 2 0 239.363 0.047 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923327532 644351581 /nfs/dbraw/zinc/35/15/81/644351581.db2.gz MTIOAEDPHOQWRZ-LLVKDONJSA-N 2 0 228.336 0.069 20 0 BCADRP [NH3+]CCN(CCO)C[C@H](O)CC1CCCC1 ZINC000923332983 644355584 /nfs/dbraw/zinc/35/55/84/644355584.db2.gz YTJNUBZWAMDILH-GFCCVEGCSA-N 2 0 230.352 0.181 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000923333126 644355605 /nfs/dbraw/zinc/35/56/05/644355605.db2.gz UOGKWIUEGZCPHS-KXUCPTDWSA-N 2 0 218.366 0.379 20 0 BCADRP CCOCC[C@@H](O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000923334676 644357361 /nfs/dbraw/zinc/35/73/61/644357361.db2.gz JCWDTYODXWZRSN-QWHCGFSZSA-N 2 0 244.379 0.848 20 0 BCADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923357532 644363914 /nfs/dbraw/zinc/36/39/14/644363914.db2.gz XTAWLOZGFCJMBK-VXGBXAGGSA-N 3 0 239.363 0.036 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000923345873 644365503 /nfs/dbraw/zinc/36/55/03/644365503.db2.gz QVMBVYORMHYUJS-FRRDWIJNSA-N 2 0 244.379 0.833 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1ccc(-n2ccnc2)cc1 ZINC000923354029 644369590 /nfs/dbraw/zinc/36/95/90/644369590.db2.gz GVTRWTGBJRLOHX-UHFFFAOYSA-N 2 0 245.330 0.248 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1ccc(C(F)F)cc1 ZINC000923353837 644369690 /nfs/dbraw/zinc/36/96/90/644369690.db2.gz CEJNPAUVXQSVCX-UHFFFAOYSA-N 2 0 229.274 1.000 20 0 BCADRP [NH3+]CC(C[NH3+])NC[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000923356536 644371922 /nfs/dbraw/zinc/37/19/22/644371922.db2.gz MWLIFZMOBVFQGQ-KBPBESRZSA-N 2 0 249.358 0.782 20 0 BCADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923355190 644373160 /nfs/dbraw/zinc/37/31/60/644373160.db2.gz HIMZHQYEFZQPEP-QWHCGFSZSA-N 2 0 244.379 0.833 20 0 BCADRP C[C@H](O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000923356766 644376270 /nfs/dbraw/zinc/37/62/70/644376270.db2.gz KRFWSMXOOWQZTF-JQWIXIFHSA-N 2 0 212.337 0.689 20 0 BCADRP [NH3+]CC(C[NH3+])NC[C@@H]1CCC2(CCCC2)O1 ZINC000923357238 644376643 /nfs/dbraw/zinc/37/66/43/644376643.db2.gz VBXFTHJCRGYMTD-NSHDSACASA-N 2 0 227.352 0.354 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923366232 644378928 /nfs/dbraw/zinc/37/89/28/644378928.db2.gz IGLPOIIQRZRKDE-NEPJUHHUSA-N 2 0 228.336 0.069 20 0 BCADRP CCCCCC[C@H](O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000923367437 644379408 /nfs/dbraw/zinc/37/94/08/644379408.db2.gz VBPOARHFYXLGTB-RYUDHWBXSA-N 2 0 232.368 0.569 20 0 BCADRP CC[C@H](O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000923360187 644384854 /nfs/dbraw/zinc/38/48/54/644384854.db2.gz YDFJQCAEUNGVEE-NSHDSACASA-N 2 0 212.337 0.833 20 0 BCADRP CC(C)OCC[C@@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC000923363291 644388351 /nfs/dbraw/zinc/38/83/51/644388351.db2.gz QRSJSHLHMMAINS-HTAVTVPLSA-N 2 0 230.352 0.584 20 0 BCADRP CCOCCOCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923381287 644394247 /nfs/dbraw/zinc/39/42/47/644394247.db2.gz HKGQZLYKFOCMKI-VXGBXAGGSA-N 2 0 230.352 0.899 20 0 BCADRP C(C[NH2+]C1CC1)CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000923382077 644395046 /nfs/dbraw/zinc/39/50/46/644395046.db2.gz XJAMTQWYGSUMAS-CYBMUJFWSA-N 2 0 223.364 0.956 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC000923390010 644396332 /nfs/dbraw/zinc/39/63/32/644396332.db2.gz AUEDZRZNWZGZFB-AATLWQCWSA-N 2 0 232.274 0.568 20 0 BCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000923390018 644396535 /nfs/dbraw/zinc/39/65/35/644396535.db2.gz AUUBKIGWFJXBDY-FRRDWIJNSA-N 2 0 244.379 0.832 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923391888 644398502 /nfs/dbraw/zinc/39/85/02/644398502.db2.gz GHGPJMXBKYQURE-GRYCIOLGSA-N 3 0 239.363 0.177 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000923392188 644398747 /nfs/dbraw/zinc/39/87/47/644398747.db2.gz IFOCFWGKTJFWIF-LPEHRKFASA-N 2 0 218.366 0.522 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000923392187 644399464 /nfs/dbraw/zinc/39/94/64/644399464.db2.gz IFOCFWGKTJFWIF-KXUCPTDWSA-N 2 0 218.366 0.522 20 0 BCADRP CSC[C@@H](O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000923386851 644400401 /nfs/dbraw/zinc/40/04/01/644400401.db2.gz KMPUDGQATSNASI-NSHDSACASA-N 2 0 232.393 0.771 20 0 BCADRP CSC[C@@H](O)CN1CC2CCC1(C[NH3+])CC2 ZINC000923393518 644401865 /nfs/dbraw/zinc/40/18/65/644401865.db2.gz RUZAYOKIAXDDTK-CXQJBGSLSA-N 2 0 244.404 0.914 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000923393859 644402278 /nfs/dbraw/zinc/40/22/78/644402278.db2.gz ZMSPXTNQZKBTRV-GRYCIOLGSA-N 2 0 238.335 0.056 20 0 BCADRP OCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000923412299 644413380 /nfs/dbraw/zinc/41/33/80/644413380.db2.gz WQNSXXIFISKOSO-LBPRGKRZSA-N 2 0 228.336 0.069 20 0 BCADRP CSC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000923411538 644414290 /nfs/dbraw/zinc/41/42/90/644414290.db2.gz NADRFEMQCKZVQY-IVZWLZJFSA-N 2 0 218.366 0.237 20 0 BCADRP OCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000923412298 644414598 /nfs/dbraw/zinc/41/45/98/644414598.db2.gz WQNSXXIFISKOSO-GFCCVEGCSA-N 2 0 228.336 0.069 20 0 BCADRP CSC1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923413681 644415641 /nfs/dbraw/zinc/41/56/41/644415641.db2.gz XQRMNDZOWMZYCS-LSJOCFKGSA-N 2 0 230.377 0.664 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923413907 644416452 /nfs/dbraw/zinc/41/64/52/644416452.db2.gz JWJJLOUAQSJYCH-SDDRHHMPSA-N 2 0 228.336 0.068 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@H]([C@H]3CCCO3)C2)C1 ZINC000923426079 644418493 /nfs/dbraw/zinc/41/84/93/644418493.db2.gz CDHRQXUALQBEFV-PJSNJIKXSA-N 2 0 240.347 0.338 20 0 BCADRP CC(C)OC[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000923423607 644419992 /nfs/dbraw/zinc/41/99/92/644419992.db2.gz XWXDQUZLHZUWFC-VWYCJHECSA-N 2 0 230.352 0.488 20 0 BCADRP CC(C)OCC[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923419805 644425177 /nfs/dbraw/zinc/42/51/77/644425177.db2.gz CXTLLOZEBCCJRV-SDDRHHMPSA-N 2 0 244.379 0.878 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CCOCC[NH3+] ZINC000923435759 644427901 /nfs/dbraw/zinc/42/79/01/644427901.db2.gz JKMOCHBYFMKJMZ-GARJFASQSA-N 2 0 215.341 0.032 20 0 BCADRP Cc1cncc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923460275 644437472 /nfs/dbraw/zinc/43/74/72/644437472.db2.gz LXOLQJHPJJPQES-UHFFFAOYSA-N 2 0 234.347 0.385 20 0 BCADRP [NH3+]CCCCCC[N@@H+]1CCNCC[NH2+]CC1 ZINC000923459224 644440542 /nfs/dbraw/zinc/44/05/42/644440542.db2.gz FGDLDKDFVCLWPD-UHFFFAOYSA-N 3 0 228.384 0.000 20 0 BCADRP c1cc(CN2CC[NH2+]CC[NH2+]CC2)ccn1 ZINC000923459216 644440584 /nfs/dbraw/zinc/44/05/84/644440584.db2.gz DXJKTFYJIPSIOI-UHFFFAOYSA-N 2 0 220.320 0.076 20 0 BCADRP OCCCCCC[N@@H+]1CCNCC[NH2+]CC1 ZINC000923461519 644445321 /nfs/dbraw/zinc/44/53/21/644445321.db2.gz QJQXMEBZNDIMMO-UHFFFAOYSA-N 2 0 229.368 0.034 20 0 BCADRP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480643 644458172 /nfs/dbraw/zinc/45/81/72/644458172.db2.gz AWGSHHDPGWRJLL-RYUDHWBXSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H]1CN(CC[N@@H+]2CC[C@H](CC[NH3+])C2)CCO1 ZINC000923482383 644458737 /nfs/dbraw/zinc/45/87/37/644458737.db2.gz ZJCCWTSYYFRCMN-OLZOCXBDSA-N 2 0 241.379 0.378 20 0 BCADRP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480639 644458953 /nfs/dbraw/zinc/45/89/53/644458953.db2.gz AWGSHHDPGWRJLL-NEPJUHHUSA-N 2 0 241.379 0.912 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000923480993 644459202 /nfs/dbraw/zinc/45/92/02/644459202.db2.gz NJHVRIGCIJBJKA-RYUDHWBXSA-N 3 0 211.353 0.657 20 0 BCADRP Cc1nonc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923488117 644461761 /nfs/dbraw/zinc/46/17/61/644461761.db2.gz DNKLXCDUWRYZPQ-PSASIEDQSA-N 2 0 224.308 0.795 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923485207 644463015 /nfs/dbraw/zinc/46/30/15/644463015.db2.gz QEHFKKBALIIGDO-SNVBAGLBSA-N 2 0 214.309 0.610 20 0 BCADRP C[C@H]1C[N@H+](CC2(O)CCOCC2)CC[C@@H]1C[NH3+] ZINC000923492935 644466861 /nfs/dbraw/zinc/46/68/61/644466861.db2.gz ZPIRAUAZPMKXPK-NWDGAFQWSA-N 2 0 242.363 0.445 20 0 BCADRP COC(=O)CC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923493155 644466920 /nfs/dbraw/zinc/46/69/20/644466920.db2.gz DWFFJVLMIJHDLW-VHSXEESVSA-N 2 0 214.309 0.466 20 0 BCADRP CC[C@H](O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086723996 644468572 /nfs/dbraw/zinc/46/85/72/644468572.db2.gz DZMQEQCHYYDWFM-NSHDSACASA-N 2 0 230.352 0.587 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cncn2C)CC[C@@H]1C[NH3+] ZINC000923497308 644471057 /nfs/dbraw/zinc/47/10/57/644471057.db2.gz DOIDRTBAAJAOLV-GHMZBOCLSA-N 2 0 222.336 0.837 20 0 BCADRP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499063 644471910 /nfs/dbraw/zinc/47/19/10/644471910.db2.gz QSHIJIOCGHVUFY-GMTAPVOTSA-N 2 0 227.352 0.380 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923499336 644472141 /nfs/dbraw/zinc/47/21/41/644472141.db2.gz JYGKJQUWGDMLPD-VGMNWLOBSA-N 2 0 240.269 0.826 20 0 BCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499066 644473740 /nfs/dbraw/zinc/47/37/40/644473740.db2.gz QSHIJIOCGHVUFY-VWYCJHECSA-N 2 0 227.352 0.380 20 0 BCADRP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923497759 644474134 /nfs/dbraw/zinc/47/41/34/644474134.db2.gz DLAXMOLLGSCWRP-SRVKXCTJSA-N 2 0 241.379 0.818 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500003 644474207 /nfs/dbraw/zinc/47/42/07/644474207.db2.gz UBJADSFRMRKUGZ-GHMZBOCLSA-N 2 0 228.336 0.856 20 0 BCADRP CN(C(=O)CCCCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000187177405 644474274 /nfs/dbraw/zinc/47/42/74/644474274.db2.gz ZYENZDFGIHDHDA-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@]23CCOC3)C[C@H]1[NH3+] ZINC000923507370 644475412 /nfs/dbraw/zinc/47/54/12/644475412.db2.gz BTFCQHUGECWZMX-DDHJBXDOSA-N 2 0 210.321 0.692 20 0 BCADRP c1n[nH]cc1CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515691 644479389 /nfs/dbraw/zinc/47/93/89/644479389.db2.gz KKSJOAXFQKZCST-NWDGAFQWSA-N 2 0 220.320 0.494 20 0 BCADRP c1nc2n(n1)[C@@H](C[N@@H+]1C[C@@H]3CC[NH2+]C[C@@H]3C1)CC2 ZINC000923515854 644480974 /nfs/dbraw/zinc/48/09/74/644480974.db2.gz OXESKLIEQRKESY-QJPTWQEYSA-N 2 0 247.346 0.307 20 0 BCADRP C([C@H]1CCOC1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518971 644482418 /nfs/dbraw/zinc/48/24/18/644482418.db2.gz HZQNJMXQJOVHJP-GRYCIOLGSA-N 2 0 210.321 0.564 20 0 BCADRP C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000923518330 644482662 /nfs/dbraw/zinc/48/26/62/644482662.db2.gz CZAMCXPHFWAQPX-RWMBFGLXSA-N 3 0 223.364 0.527 20 0 BCADRP NC(=O)C12CCC(CC1)[N@@H+]2C[C@H]1CC[C@@H]([NH3+])C1 ZINC000923531050 644486175 /nfs/dbraw/zinc/48/61/75/644486175.db2.gz MZQBIYWBDOCONB-KIENENRBSA-N 2 0 237.347 0.596 20 0 BCADRP COC(=O)CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522658 644486322 /nfs/dbraw/zinc/48/63/22/644486322.db2.gz XHAQDSOMTWYVCC-VHSXEESVSA-N 2 0 212.293 0.091 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534793 644486950 /nfs/dbraw/zinc/48/69/50/644486950.db2.gz XSXXOVFCRSUFSL-OLZOCXBDSA-N 2 0 241.379 0.175 20 0 BCADRP OC[C@H]1CCCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000923531073 644488608 /nfs/dbraw/zinc/48/86/08/644488608.db2.gz ORFPBINDPORBMO-VXGBXAGGSA-N 2 0 212.337 0.833 20 0 BCADRP [NH3+]CCOCCN1C[C@@H](CC[NH3+])c2ccccc21 ZINC000923554676 644498300 /nfs/dbraw/zinc/49/83/00/644498300.db2.gz JVFOIMCZZURJPA-GFCCVEGCSA-N 2 0 249.358 0.914 20 0 BCADRP COC[C@H]1COCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000923556274 644499674 /nfs/dbraw/zinc/49/96/74/644499674.db2.gz FXZQBSDFCBQMDH-WOPDTQHZSA-N 2 0 228.336 0.461 20 0 BCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC000088133843 644511906 /nfs/dbraw/zinc/51/19/06/644511906.db2.gz FNHOJSOHWWZNEK-LBPRGKRZSA-N 2 0 239.363 0.573 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089717509 644562951 /nfs/dbraw/zinc/56/29/51/644562951.db2.gz AMLOJWDVOPOQCH-NSHDSACASA-N 2 0 241.379 0.690 20 0 BCADRP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H](C)[NH+](C)C ZINC000750615769 644596118 /nfs/dbraw/zinc/59/61/18/644596118.db2.gz SXQGPEXWCOTNMX-WDEREUQCSA-N 2 0 229.368 0.639 20 0 BCADRP C[N@H+](CC(=O)NCC1CC1)C1CCC([NH3+])CC1 ZINC000091846610 644643174 /nfs/dbraw/zinc/64/31/74/644643174.db2.gz SGKALQBPCWPILD-UHFFFAOYSA-N 2 0 239.363 0.714 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093516584 644691794 /nfs/dbraw/zinc/69/17/94/644691794.db2.gz NXMAWUIMMWOHSA-XQQFMLRXSA-N 2 0 244.379 0.894 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[NH+](C)C ZINC000094751975 644727334 /nfs/dbraw/zinc/72/73/34/644727334.db2.gz RFNCLTOXVWARCO-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250369733 644757110 /nfs/dbraw/zinc/75/71/10/644757110.db2.gz SPFAJLMDESRIEH-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250568502 644765313 /nfs/dbraw/zinc/76/53/13/644765313.db2.gz HFNDKUBMEPMVOU-GRYCIOLGSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC000250682145 644776435 /nfs/dbraw/zinc/77/64/35/644776435.db2.gz YXGNRHHWMQORGS-MXWKQRLJSA-N 2 0 246.376 0.423 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251227126 644798989 /nfs/dbraw/zinc/79/89/89/644798989.db2.gz PCQJVSZRMPQSOD-KXUCPTDWSA-N 2 0 213.325 0.167 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C[C@H]1CCC[NH2+]1 ZINC000251413737 644804083 /nfs/dbraw/zinc/80/40/83/644804083.db2.gz OLRRMSZQYCALTO-VXGBXAGGSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@@H]1C[N@H+](CCC(=O)N(C)C)CC[C@H]1C[NH3+] ZINC000251831517 644825405 /nfs/dbraw/zinc/82/54/05/644825405.db2.gz PONCDQVTAGYBHB-MNOVXSKESA-N 2 0 227.352 0.381 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000304411152 644905536 /nfs/dbraw/zinc/90/55/36/644905536.db2.gz YATZHDPTWWWOLS-QWRGUYRKSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)[NH+](C)C ZINC000827233482 645074967 /nfs/dbraw/zinc/07/49/67/645074967.db2.gz PYUZKCOZYUDOLQ-TUAOUCFPSA-N 2 0 239.363 0.489 20 0 BCADRP [NH3+]CCCCCCC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000834408566 645141239 /nfs/dbraw/zinc/14/12/39/645141239.db2.gz RMXXGZYANRLDJJ-LLVKDONJSA-N 2 0 227.352 0.749 20 0 BCADRP [NH3+][C@@H](CC(=O)NCCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000834848712 645149236 /nfs/dbraw/zinc/14/92/36/645149236.db2.gz HBXNBNKVVOQPJT-NEPJUHHUSA-N 2 0 239.363 0.762 20 0 BCADRP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@]1(F)CC[NH2+]C1 ZINC000834848750 645149265 /nfs/dbraw/zinc/14/92/65/645149265.db2.gz HTGRSBHQOQYTPC-CMPLNLGQSA-N 2 0 243.326 0.336 20 0 BCADRP C[C@@H]1CN(C(=O)c2cccc(C[NH3+])c2)C[C@@H](C)[NH2+]1 ZINC000841855320 645230347 /nfs/dbraw/zinc/23/03/47/645230347.db2.gz MWKOJEXTPJDTEL-GHMZBOCLSA-N 2 0 247.342 0.968 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000841857147 645230468 /nfs/dbraw/zinc/23/04/68/645230468.db2.gz RDXKLDOENXNGHJ-NXEZZACHSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C[C@H]([NH3+])C1CC1 ZINC000841857148 645231099 /nfs/dbraw/zinc/23/10/99/645231099.db2.gz RDXKLDOENXNGHJ-UWVGGRQHSA-N 2 0 227.352 0.603 20 0 BCADRP CC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000841854914 645231385 /nfs/dbraw/zinc/23/13/85/645231385.db2.gz BWURODMLXRRXIQ-ZDUSSCGKSA-N 2 0 247.342 0.769 20 0 BCADRP O[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)C1CC1 ZINC000843061307 645259392 /nfs/dbraw/zinc/25/93/92/645259392.db2.gz DYZJRRCGTCZHGG-CYBMUJFWSA-N 2 0 242.363 0.194 20 0 BCADRP CC[C@@](C)(CC(=O)OC)[NH2+]CCC[NH2+]C ZINC000843389975 645288804 /nfs/dbraw/zinc/28/88/04/645288804.db2.gz FPSCNUQJOBXKAP-NSHDSACASA-N 2 0 216.325 0.917 20 0 BCADRP CC[NH2+]CC(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000844187705 645316118 /nfs/dbraw/zinc/31/61/18/645316118.db2.gz OEFVMZANOYRPLB-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP CC[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000844187065 645316676 /nfs/dbraw/zinc/31/66/76/645316676.db2.gz CGNVUGVGRAOJKN-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H]1COC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926665533 645344966 /nfs/dbraw/zinc/34/49/66/645344966.db2.gz GQJZAVMSRNUYCT-WYUUTHIRSA-N 2 0 212.337 0.951 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ncccn1 ZINC000926710975 645375677 /nfs/dbraw/zinc/37/56/77/645375677.db2.gz UPHKKQYNTGZRNK-QYJAPNMZSA-N 2 0 232.331 0.906 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC000928429403 645746222 /nfs/dbraw/zinc/74/62/22/645746222.db2.gz BXSMWUYHUAEVFG-MNOVXSKESA-N 2 0 239.363 0.537 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000928448034 645771674 /nfs/dbraw/zinc/77/16/74/645771674.db2.gz MPPCBGIDHMGUFN-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000928553219 645809196 /nfs/dbraw/zinc/80/91/96/645809196.db2.gz LSBWABZBTWAZFM-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC1(C)CC[NH2+]CC1 ZINC000884270114 645871477 /nfs/dbraw/zinc/87/14/77/645871477.db2.gz GNSVFGXKTVZBKY-SNVBAGLBSA-N 2 0 239.363 0.490 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C)C[NH3+] ZINC000884251771 645871904 /nfs/dbraw/zinc/87/19/04/645871904.db2.gz RBYZOPOPPHTNSS-BDAKNGLRSA-N 2 0 201.314 0.084 20 0 BCADRP O=C(NC1CC[NH2+]CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000929064556 645931283 /nfs/dbraw/zinc/93/12/83/645931283.db2.gz PIJAZJSBDCLGAF-SNVBAGLBSA-N 2 0 240.351 0.180 20 0 BCADRP C([C@@H]1CCC2(COC2)O1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000929311657 646074178 /nfs/dbraw/zinc/07/41/78/646074178.db2.gz FNMACHIJGQYNSG-UTUOFQBUSA-N 2 0 238.331 0.086 20 0 BCADRP C[C@@H](O)[C@@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000929327673 646081079 /nfs/dbraw/zinc/08/10/79/646081079.db2.gz KYZNJQPRMCXNHJ-YPMHNXCESA-N 2 0 244.379 0.392 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCn1cccn1 ZINC000925326278 646244259 /nfs/dbraw/zinc/24/42/59/646244259.db2.gz QIVSSSNMKOHEJF-FUNVUKJBSA-N 2 0 234.347 0.813 20 0 BCADRP C[C@@H](CN[C@H]1C[NH2+]CCOC1)[N@H+](C)C1CC1 ZINC000925496282 646291967 /nfs/dbraw/zinc/29/19/67/646291967.db2.gz PUYPHIULLNCUPO-QWRGUYRKSA-N 2 0 227.352 0.047 20 0 BCADRP CC1(C)C[C@@H]([NH2+]C[C@H]2COCCO2)C[C@@H]([NH3+])C1 ZINC000925485276 646297049 /nfs/dbraw/zinc/29/70/49/646297049.db2.gz MQVVUWZQESYPSO-WOPDTQHZSA-N 2 0 242.363 0.897 20 0 BCADRP COCCOCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925519259 646312562 /nfs/dbraw/zinc/31/25/62/646312562.db2.gz LBLAZNITTCGZGK-GFCCVEGCSA-N 2 0 242.363 0.914 20 0 BCADRP C(N[C@@H]1C[NH2+]CCOC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000925537862 646321810 /nfs/dbraw/zinc/32/18/10/646321810.db2.gz ONOGTNKYXNDYHU-VXGBXAGGSA-N 2 0 239.363 0.049 20 0 BCADRP C(N[C@@H]1C[NH2+]CCOC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000925537860 646322564 /nfs/dbraw/zinc/32/25/64/646322564.db2.gz ONOGTNKYXNDYHU-NWDGAFQWSA-N 2 0 239.363 0.049 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)N[C@@H]1C[NH2+]CCOC1 ZINC000925535977 646322689 /nfs/dbraw/zinc/32/26/89/646322689.db2.gz BGMIHEUUWYRKNM-CHWSQXEVSA-N 2 0 241.379 0.439 20 0 BCADRP CC[N@H+](CCN[C@H]1C[NH2+]CCOC1)C(C)C ZINC000925556499 646328443 /nfs/dbraw/zinc/32/84/43/646328443.db2.gz JVHVCCUYWBFWPL-LBPRGKRZSA-N 2 0 229.368 0.295 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925553482 646329551 /nfs/dbraw/zinc/32/95/51/646329551.db2.gz SLKNMBNEYVNIBL-WZRBSPASSA-N 2 0 239.363 0.047 20 0 BCADRP [NH3+][C@H]1C[C@H]([NH2+]CCNc2cnccn2)C12CCC2 ZINC000925557946 646332814 /nfs/dbraw/zinc/33/28/14/646332814.db2.gz QTHGWTBBEUWROL-QWRGUYRKSA-N 2 0 247.346 0.748 20 0 BCADRP C1C[C@@H]2C[C@@H](N[C@@H]3C[NH2+]CCOC3)CC[N@@H+]2C1 ZINC000925562854 646335963 /nfs/dbraw/zinc/33/59/63/646335963.db2.gz QWPOKLKRWPCWCI-YNEHKIRRSA-N 2 0 239.363 0.191 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925576758 646345052 /nfs/dbraw/zinc/34/50/52/646345052.db2.gz YPHXLKIFFHFHJB-BSJXLVFVSA-N 2 0 239.363 0.617 20 0 BCADRP C[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000308732323 711529974 /nfs/dbraw/zinc/52/99/74/711529974.db2.gz WIYWHRBQTFBKAV-NWDGAFQWSA-N 2 0 212.337 0.785 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOCCO ZINC000925610976 646360760 /nfs/dbraw/zinc/36/07/60/646360760.db2.gz JVYDBKVOCQUNOO-ZYANWLCNSA-N 2 0 228.336 0.101 20 0 BCADRP COC[C@H](O)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925626225 646372697 /nfs/dbraw/zinc/37/26/97/646372697.db2.gz MDHIMECHMJEWHB-GRYCIOLGSA-N 2 0 244.379 0.879 20 0 BCADRP Cn1nncc1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925674608 646402191 /nfs/dbraw/zinc/40/21/91/646402191.db2.gz SJQWVZNEXPEPTE-NXEZZACHSA-N 2 0 237.351 0.811 20 0 BCADRP C[C@@H]1NCCC[C@H]1[NH2+]CCC1(O)CCOCC1 ZINC000925672117 646402306 /nfs/dbraw/zinc/40/23/06/646402306.db2.gz UFHFDEKXAGMSQD-NWDGAFQWSA-N 2 0 242.363 0.648 20 0 BCADRP C[C@H]1NCCC[C@@H]1[NH2+]CCC1(O)CCOCC1 ZINC000925672115 646403183 /nfs/dbraw/zinc/40/31/83/646403183.db2.gz UFHFDEKXAGMSQD-NEPJUHHUSA-N 2 0 242.363 0.648 20 0 BCADRP NC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925685360 646410590 /nfs/dbraw/zinc/41/05/90/646410590.db2.gz LMYUNGXTSFXOJI-AAOYHXPRSA-N 2 0 249.358 0.226 20 0 BCADRP CC1(C)[C@@H](NCCC[NH3+])[C@@H]2CCC[NH2+][C@@H]21 ZINC000925690330 646411656 /nfs/dbraw/zinc/41/16/56/646411656.db2.gz JBVAEYSXRXWKCY-VWYCJHECSA-N 2 0 211.353 0.701 20 0 BCADRP [NH3+][C@@H]1C[C@H](NC[C@H]2CCC[NH2+]C2)C12CCC2 ZINC000925690695 646416861 /nfs/dbraw/zinc/41/68/61/646416861.db2.gz GUCQEHMAMKGBML-TUAOUCFPSA-N 2 0 223.364 0.846 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC[NH2+]CC1)[NH2+]2 ZINC000925694412 646420527 /nfs/dbraw/zinc/42/05/27/646420527.db2.gz UINSUYFGNVQRDI-GWNIPJSYSA-N 2 0 223.364 0.857 20 0 BCADRP C1[NH2+][C@H]2[C@H](N[C@H]3CCC[NH2+]C3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000925697399 646422027 /nfs/dbraw/zinc/42/20/27/646422027.db2.gz FQGSPPAARJIYNN-MCDVFOBDSA-N 2 0 221.348 0.324 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925699214 646423137 /nfs/dbraw/zinc/42/31/37/646423137.db2.gz JDVWNSIXHXMBGL-NNYUYHANSA-N 2 0 223.364 0.986 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925701390 646425013 /nfs/dbraw/zinc/42/50/13/646425013.db2.gz YRISQGNWHLQQQS-IJLUTSLNSA-N 2 0 223.364 0.859 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000925702530 646425085 /nfs/dbraw/zinc/42/50/85/646425085.db2.gz BBLXNYAMOXEUOO-VWYCJHECSA-N 3 0 211.353 0.844 20 0 BCADRP C[C@@H]1NCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000925702496 646425062 /nfs/dbraw/zinc/42/50/62/646425062.db2.gz AOXCRBMILAQSDJ-YFKTTZPYSA-N 2 0 211.353 0.844 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000925700502 646425150 /nfs/dbraw/zinc/42/51/50/646425150.db2.gz QLADEDIGBSTYCS-MNOVXSKESA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925701409 646425924 /nfs/dbraw/zinc/42/59/24/646425924.db2.gz ZBAYHBVHJWPHFI-CLSQCYNNSA-N 2 0 235.375 0.713 20 0 BCADRP C[NH+](C)C1CCC([NH2+][C@@H]2CNCCOC2)CC1 ZINC000925704937 646428691 /nfs/dbraw/zinc/42/86/91/646428691.db2.gz ITRKNAXLQNUXTJ-OTTFEQOBSA-N 2 0 241.379 0.437 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925705074 646429828 /nfs/dbraw/zinc/42/98/28/646429828.db2.gz JDZUZKGUJWSTMM-NWDGAFQWSA-N 2 0 241.379 0.437 20 0 BCADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]C[C@@H]1CCCO1 ZINC000925707983 646433210 /nfs/dbraw/zinc/43/32/10/646433210.db2.gz QTEYYPRELFPCDS-CKIKVBCHSA-N 2 0 240.347 0.507 20 0 BCADRP [NH3+][C@@H]1C[C@H](N[C@@H]2CCCC[NH2+]C2)C12CCC2 ZINC000925710540 646433928 /nfs/dbraw/zinc/43/39/28/646433928.db2.gz WROJQUSFVDGFHO-UTUOFQBUSA-N 2 0 223.364 0.988 20 0 BCADRP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)CO1 ZINC000925710455 646434859 /nfs/dbraw/zinc/43/48/59/646434859.db2.gz KEPIYYGNURTSHD-NLMKBYRWSA-N 2 0 240.347 0.506 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925709691 646434985 /nfs/dbraw/zinc/43/49/85/646434985.db2.gz PSSQIRDJGJWCPP-WOPDTQHZSA-N 3 0 223.364 0.988 20 0 BCADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925712411 646437732 /nfs/dbraw/zinc/43/77/32/646437732.db2.gz UOSCPKCZIGNJPL-ZVAYHSMLSA-N 2 0 209.337 0.308 20 0 BCADRP FC1(F)CC[NH2+]C[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000925713960 646438039 /nfs/dbraw/zinc/43/80/39/646438039.db2.gz ZMDYMNNVBGLJRK-VHSXEESVSA-N 2 0 245.317 0.858 20 0 BCADRP COC[C@@H](CC[NH2+][C@H]1CC[NH2+]C1(C)C)OC ZINC000925714775 646438396 /nfs/dbraw/zinc/43/83/96/646438396.db2.gz WNXYPCHDMLGMPU-MNOVXSKESA-N 2 0 230.352 0.768 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@H]1C ZINC000925717012 646441037 /nfs/dbraw/zinc/44/10/37/646441037.db2.gz CYIONTCZLXDBHN-KISRQWFGSA-N 2 0 223.364 0.855 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925719094 646443131 /nfs/dbraw/zinc/44/31/31/646443131.db2.gz NYHYENIEHMQRIR-HBNTYKKESA-N 2 0 209.337 0.611 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C1 ZINC000925719500 646444235 /nfs/dbraw/zinc/44/42/35/646444235.db2.gz OCGBBFHRINNCLM-XWLWVQCSSA-N 2 0 239.363 0.746 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NCCOCCC[NH3+] ZINC000925719028 646444678 /nfs/dbraw/zinc/44/46/78/646444678.db2.gz PWGYQVRGVHXNSE-MNOVXSKESA-N 2 0 215.341 0.082 20 0 BCADRP C1CC2(C1)[NH2+]CC[C@@H]2N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925722768 646447799 /nfs/dbraw/zinc/44/77/99/646447799.db2.gz LFNCZYYDQRPOJV-SNIKSBKOSA-N 2 0 247.386 0.857 20 0 BCADRP C([NH2+][C@@H]1CNCCOC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925726991 646451956 /nfs/dbraw/zinc/45/19/56/646451956.db2.gz MNIICGIXIXBSFZ-YVECIDJPSA-N 2 0 239.363 0.095 20 0 BCADRP [NH3+]C1CC(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925729417 646454549 /nfs/dbraw/zinc/45/45/49/646454549.db2.gz JLFURXDROLOGPZ-HTAVTVPLSA-N 3 0 223.364 0.988 20 0 BCADRP C[C@@H](NC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000925783551 646465378 /nfs/dbraw/zinc/46/53/78/646465378.db2.gz DHPZENRFEDSNHM-WYUUTHIRSA-N 2 0 211.353 0.572 20 0 BCADRP CCC1([NH3+])CCN([C@@H](C)C2C[NH2+]C2)CC1 ZINC000925760877 646465951 /nfs/dbraw/zinc/46/59/51/646465951.db2.gz QYSWGJHWCAMXEC-JTQLQIEISA-N 2 0 211.353 0.798 20 0 BCADRP OC[C@H](C[C@H]1CCCO1)[NH2+]C1CC[NH2+]CC1 ZINC000925768473 646468236 /nfs/dbraw/zinc/46/82/36/646468236.db2.gz VLJFRLLUQUBNBU-NWDGAFQWSA-N 2 0 228.336 0.258 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CO)C[C@@H]2CCCO2)C1 ZINC000925766262 646469624 /nfs/dbraw/zinc/46/96/24/646469624.db2.gz ILOMABVCSFSQMT-XQHKEYJVSA-N 2 0 242.363 0.776 20 0 BCADRP C[C@H](NC[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000925776839 646474922 /nfs/dbraw/zinc/47/49/22/646474922.db2.gz MVECIBJJPFCARE-DCAQKATOSA-N 2 0 247.333 0.961 20 0 BCADRP C[C@@H](NC[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[NH2+]1 ZINC000925776841 646476267 /nfs/dbraw/zinc/47/62/67/646476267.db2.gz MVECIBJJPFCARE-GMTAPVOTSA-N 2 0 247.333 0.961 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925781255 646477688 /nfs/dbraw/zinc/47/76/88/646477688.db2.gz WIFKCRHHVHEFKM-GMTAPVOTSA-N 2 0 209.337 0.469 20 0 BCADRP C[C@H](N[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000925781986 646478806 /nfs/dbraw/zinc/47/88/06/646478806.db2.gz ZSXCMPFXCZAULV-WRWGMCAJSA-N 2 0 211.353 0.715 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925783010 646479395 /nfs/dbraw/zinc/47/93/95/646479395.db2.gz APLLTWWRXFQZMD-WOPDTQHZSA-N 3 0 229.368 0.185 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000925781846 646479753 /nfs/dbraw/zinc/47/97/53/646479753.db2.gz GTVSMFXSQJUOEP-FPQZTECRSA-N 2 0 223.364 0.667 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)O1 ZINC000925783093 646479839 /nfs/dbraw/zinc/47/98/39/646479839.db2.gz BXRPZZNEUOGUPW-LDMBFOFVSA-N 2 0 212.337 0.997 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)O1 ZINC000925783094 646479998 /nfs/dbraw/zinc/47/99/98/646479998.db2.gz BXRPZZNEUOGUPW-PZWNZHSQSA-N 2 0 212.337 0.997 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000925787043 646482802 /nfs/dbraw/zinc/48/28/02/646482802.db2.gz RYFXQNOQDUPMPL-WISYIIOYSA-N 3 0 211.353 0.559 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925802976 646488119 /nfs/dbraw/zinc/48/81/19/646488119.db2.gz KZEQZLUFALAVEE-JHJVBQTASA-N 3 0 243.395 0.576 20 0 BCADRP CCOC[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925812219 646489523 /nfs/dbraw/zinc/48/95/23/646489523.db2.gz VUKBLKQKESNJMO-LLVKDONJSA-N 2 0 229.368 0.424 20 0 BCADRP CC[C@@H](COC)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925809544 646490546 /nfs/dbraw/zinc/49/05/46/646490546.db2.gz KLQNPQKREBPTAA-LBPRGKRZSA-N 2 0 229.368 0.424 20 0 BCADRP Cc1cc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])nn1C ZINC000925834273 646502686 /nfs/dbraw/zinc/50/26/86/646502686.db2.gz MEWHRCKZTYPZPR-AAEUAGOBSA-N 2 0 236.363 0.988 20 0 BCADRP Cc1cc(CC[NH2+][C@@H](C)C2C[NH2+]C2)nn1C ZINC000925835012 646503064 /nfs/dbraw/zinc/50/30/64/646503064.db2.gz PTLLACAJXXWYFG-JTQLQIEISA-N 2 0 222.336 0.469 20 0 BCADRP O=C1C[C@H](CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CN1 ZINC000925838116 646505125 /nfs/dbraw/zinc/50/51/25/646505125.db2.gz KOGBIGIWNAHSDK-UCZLSJFXSA-N 2 0 249.358 0.099 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CNOC2)[C@@H]2CCC[C@H]21 ZINC000925865314 646516480 /nfs/dbraw/zinc/51/64/80/646516480.db2.gz GGQOSDDEPYNHRY-FIQHERPVSA-N 2 0 225.336 0.352 20 0 BCADRP C(CO[C@H]1CCOC1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000925876164 646526231 /nfs/dbraw/zinc/52/62/31/646526231.db2.gz XYMDWJRFCXNSLY-NEPJUHHUSA-N 2 0 228.336 0.524 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOC1CCOCC1 ZINC000925877203 646527991 /nfs/dbraw/zinc/52/79/91/646527991.db2.gz FZCAOKAPKAHOGK-MNOVXSKESA-N 2 0 230.352 0.897 20 0 BCADRP CC[NH+](CC)CC1CCN(CC[NH3+])CC1 ZINC000034248898 646532429 /nfs/dbraw/zinc/53/24/29/646532429.db2.gz ZWMWXEWQEHHLEQ-UHFFFAOYSA-N 2 0 213.369 0.999 20 0 BCADRP Cn1nccc1[C@H](O)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000925891577 646533750 /nfs/dbraw/zinc/53/37/50/646533750.db2.gz WDZZPLJVFZWGBB-JFGNBEQYSA-N 2 0 238.335 0.171 20 0 BCADRP Cn1nccc1[C@H](O)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000925891576 646534082 /nfs/dbraw/zinc/53/40/82/646534082.db2.gz WDZZPLJVFZWGBB-JBLDHEPKSA-N 2 0 238.335 0.171 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1COC[C@H]1C ZINC000926150843 646583855 /nfs/dbraw/zinc/58/38/55/646583855.db2.gz OFIQPVGUHGLSNO-CHWSQXEVSA-N 2 0 244.379 0.969 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1CC[NH3+] ZINC000723901917 711544809 /nfs/dbraw/zinc/54/48/09/711544809.db2.gz TVRRMUZBJXCCPD-GRYCIOLGSA-N 2 0 212.337 0.940 20 0 BCADRP [NH3+]C1CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000724555737 711589858 /nfs/dbraw/zinc/58/98/58/711589858.db2.gz DVBZEUMGLMQEOW-USWWRNFRSA-N 2 0 226.320 0.213 20 0 BCADRP C[N@H+](C[C@@H]1C[C@H]2COC[C@H]2O1)C1CC([NH3+])C1 ZINC000724588623 711595921 /nfs/dbraw/zinc/59/59/21/711595921.db2.gz BGSYVGZEQMPZOI-RFAQPDLFSA-N 2 0 226.320 0.212 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720904033 711686890 /nfs/dbraw/zinc/68/68/90/711686890.db2.gz WBSXLBUSQIVWNG-WDEREUQCSA-N 2 0 225.336 0.291 20 0 BCADRP C[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCCCNC1=O ZINC000094024785 711736884 /nfs/dbraw/zinc/73/68/84/711736884.db2.gz OALXHMXXVOKUMQ-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702278535 711868877 /nfs/dbraw/zinc/86/88/77/711868877.db2.gz SPSBFOKJBWYUCW-QJPTWQEYSA-N 2 0 212.337 0.641 20 0 BCADRP CO[C@H]1C[C@@H](C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000721917932 711919437 /nfs/dbraw/zinc/91/94/37/711919437.db2.gz CLLOSTVPNDJUET-KKOKHZNYSA-N 2 0 210.321 0.563 20 0 BCADRP CNC(=O)CC[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000700236694 711988270 /nfs/dbraw/zinc/98/82/70/711988270.db2.gz GWYNSZYDYOPNAO-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP COCCOCCN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702062982 712037714 /nfs/dbraw/zinc/03/77/14/712037714.db2.gz DGJFPHNMKBWUCX-NWDGAFQWSA-N 2 0 228.336 0.191 20 0 BCADRP CC(C)OC[C@@H](O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000704570543 712112027 /nfs/dbraw/zinc/11/20/27/712112027.db2.gz CGBJLEHJRSFCSU-NSHDSACASA-N 2 0 230.352 0.586 20 0 BCADRP CO[C@@](C)(CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000705352001 712130196 /nfs/dbraw/zinc/13/01/96/712130196.db2.gz HITUCWJNUNEKMZ-PSEXLTFBSA-N 2 0 242.363 0.599 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@H]1CC(C)(C)CO1 ZINC000708369350 712190718 /nfs/dbraw/zinc/19/07/18/712190718.db2.gz VJYKDFVRNGRQNQ-LLVKDONJSA-N 2 0 230.352 0.709 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1C[NH3+] ZINC000708847655 712200720 /nfs/dbraw/zinc/20/07/20/712200720.db2.gz DBWXPQICAKVENR-HLTSFMKQSA-N 2 0 240.269 0.826 20 0 BCADRP C[C@@H]([NH2+]CCc1ccns1)C1C[NH2+]C1 ZINC000709954543 712234620 /nfs/dbraw/zinc/23/46/20/712234620.db2.gz UBBAVMRFJICQLX-MRVPVSSYSA-N 2 0 211.334 0.883 20 0 BCADRP OCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000710285881 712251040 /nfs/dbraw/zinc/25/10/40/712251040.db2.gz OAGGHXQOQRSJIZ-LBPRGKRZSA-N 2 0 212.337 0.690 20 0 BCADRP COC[C@@H](C[N@H+](C)C1CCC([NH3+])CC1)OC ZINC000710687527 712254380 /nfs/dbraw/zinc/25/43/80/712254380.db2.gz HGJAMHHSUYYNDW-HTAVTVPLSA-N 2 0 230.352 0.850 20 0 BCADRP C[N@H+](CCCCCC[NH3+])CCN1CCOC1=O ZINC000710781588 712256079 /nfs/dbraw/zinc/25/60/79/712256079.db2.gz OSMAUAMHCTUCFM-UHFFFAOYSA-N 2 0 243.351 0.890 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)NCC[NH+]2CCCC2)CC1 ZINC000710870760 712260959 /nfs/dbraw/zinc/26/09/59/712260959.db2.gz QSHCAHYINJODBV-HAQNSBGRSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000711311723 712293684 /nfs/dbraw/zinc/29/36/84/712293684.db2.gz SNSLGYSPGCKUEP-LLVKDONJSA-N 2 0 239.363 0.442 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]1C[NH2+]CC1(C)C)C1CC1 ZINC000711311937 712293482 /nfs/dbraw/zinc/29/34/82/712293482.db2.gz ULJSHXQWTKRWIN-LLVKDONJSA-N 2 0 239.363 0.442 20 0 BCADRP Cn1cncc1CC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479158 712334311 /nfs/dbraw/zinc/33/43/11/712334311.db2.gz NAFRNGOPTFTEPT-NSHDSACASA-N 2 0 222.336 0.633 20 0 BCADRP CC(C)[N@@H+](CC(N)=O)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000379783208 712398881 /nfs/dbraw/zinc/39/88/81/712398881.db2.gz GVJBPTAROHWBPA-ZJUUUORDSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN2C)CC[N@@H+]1C ZINC000712611926 712437213 /nfs/dbraw/zinc/43/72/13/712437213.db2.gz APQVUBRRUUTMFL-GRYCIOLGSA-N 2 0 211.353 0.763 20 0 BCADRP Cc1cc(NC[C@H]2CC[N@H+]2C)nc(N)[nH+]1 ZINC000712537167 712442719 /nfs/dbraw/zinc/44/27/19/712442719.db2.gz CCYKQWFPLNXKJT-MRVPVSSYSA-N 2 0 207.281 0.483 20 0 BCADRP CCN1CC[C@H]1C[NH2+]C1CCN(C)CC1 ZINC000712540449 712443293 /nfs/dbraw/zinc/44/32/93/712443293.db2.gz BDNHJDQYHLGWFS-LBPRGKRZSA-N 2 0 211.353 0.764 20 0 BCADRP CN1CC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000712558490 712445528 /nfs/dbraw/zinc/44/55/28/712445528.db2.gz PQRCPAHXDWTULI-YNEHKIRRSA-N 2 0 223.364 0.907 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[NH2+]CC1 ZINC000713118256 712452674 /nfs/dbraw/zinc/45/26/74/712452674.db2.gz JRMQBBJPJRPSFN-SNVBAGLBSA-N 2 0 227.352 0.428 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715402892 712517187 /nfs/dbraw/zinc/51/71/87/712517187.db2.gz NDVHGWCYXQFIFL-STQMWFEESA-N 2 0 242.363 0.851 20 0 BCADRP CN(C)C(=[NH2+])NCCC[NH2+]C(C)(C)C ZINC000380011410 712669973 /nfs/dbraw/zinc/66/99/73/712669973.db2.gz RVUOAWQHAGJMPG-UHFFFAOYSA-N 2 0 200.330 0.851 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000389681768 712689936 /nfs/dbraw/zinc/68/99/36/712689936.db2.gz XWTWXLGQEWEXNQ-VXGBXAGGSA-N 2 0 239.363 0.714 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000925495404 712698628 /nfs/dbraw/zinc/69/86/28/712698628.db2.gz NBTPVSCYAGJTQZ-JQWIXIFHSA-N 2 0 223.364 0.953 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000038029517 712800514 /nfs/dbraw/zinc/80/05/14/712800514.db2.gz MVPOBBQROZFIMN-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1COCCO1)C1CC[NH+](C)CC1 ZINC000038060775 712804197 /nfs/dbraw/zinc/80/41/97/712804197.db2.gz GEFKBGWFLXDZKY-YPMHNXCESA-N 2 0 242.363 0.722 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CCc1ccns1 ZINC000719884439 712826448 /nfs/dbraw/zinc/82/64/48/712826448.db2.gz DDUMKMQBCBRZOT-UHFFFAOYSA-N 2 0 243.376 0.853 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720894653 712876192 /nfs/dbraw/zinc/87/61/92/712876192.db2.gz WGWKBLQNRYCSSF-HBNTYKKESA-N 2 0 225.336 0.419 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720897538 712876470 /nfs/dbraw/zinc/87/64/70/712876470.db2.gz HTKCPCDZEOIPMH-HBNTYKKESA-N 2 0 225.336 0.289 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720897462 712876479 /nfs/dbraw/zinc/87/64/79/712876479.db2.gz HSURDQRJWJVYGB-NWDGAFQWSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720896722 712876921 /nfs/dbraw/zinc/87/69/21/712876921.db2.gz DHSIGCVARHPOKH-TUAOUCFPSA-N 2 0 239.363 0.665 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720963270 712883192 /nfs/dbraw/zinc/88/31/92/712883192.db2.gz SRMCYHGQBVNWSW-DDHJBXDOSA-N 2 0 212.337 0.864 20 0 BCADRP CCN(CC(=O)N(C)C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721039242 712887662 /nfs/dbraw/zinc/88/76/62/712887662.db2.gz DPJMBMWUSKRECY-MNOVXSKESA-N 2 0 227.352 0.252 20 0 BCADRP CO[C@@H]1CCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000380807641 710591025 /nfs/dbraw/zinc/59/10/25/710591025.db2.gz IUUKSSGSGUEUCN-VXGBXAGGSA-N 2 0 230.352 0.722 20 0 BCADRP C[NH2+][C@@H]1CCCN(C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000381330625 710622635 /nfs/dbraw/zinc/62/26/35/710622635.db2.gz SXCUFCTYNOPKET-GRYCIOLGSA-N 2 0 211.353 0.798 20 0 BCADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000381567798 710657303 /nfs/dbraw/zinc/65/73/03/710657303.db2.gz UFFAKPYZXHGIFC-WOPDTQHZSA-N 3 0 211.353 0.785 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NC1CCC([NH3+])CC1 ZINC000722533406 710715690 /nfs/dbraw/zinc/71/56/90/710715690.db2.gz FGCXDEAFBFYUFI-QYNFOATHSA-N 2 0 239.363 0.618 20 0 BCADRP CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039028044 710716668 /nfs/dbraw/zinc/71/66/68/710716668.db2.gz LZKYIVLIBMDYPU-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP Cc1cc(N2CCC[N@@H+](C)CC2)nc(N)[nH+]1 ZINC000038812968 710720887 /nfs/dbraw/zinc/72/08/87/710720887.db2.gz OSFIADYLNBBUTD-UHFFFAOYSA-N 2 0 221.308 0.509 20 0 BCADRP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723890373 710732750 /nfs/dbraw/zinc/73/27/50/710732750.db2.gz GBMXVJBYKCCRAH-IJLUTSLNSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1CC[NH3+] ZINC000723881577 710733232 /nfs/dbraw/zinc/73/32/32/710733232.db2.gz ASMWEIGFQDEWFG-GHMZBOCLSA-N 2 0 222.336 0.837 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724922254 710749592 /nfs/dbraw/zinc/74/95/92/710749592.db2.gz PXTACMQPSNECHT-NWDGAFQWSA-N 2 0 228.336 0.333 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1C[C@H](O)C1(C)C ZINC000396712222 710907727 /nfs/dbraw/zinc/90/77/27/710907727.db2.gz RKZCMPARKWEFDQ-NAKRPEOUSA-N 2 0 212.337 0.876 20 0 BCADRP C[C@H]1C[N@H+](CCCS(C)(=O)=O)CC[C@@H]1C[NH3+] ZINC000133082905 710967250 /nfs/dbraw/zinc/96/72/50/710967250.db2.gz MQHSRVWNDYAFRS-WDEREUQCSA-N 2 0 248.392 0.338 20 0 BCADRP COCCOCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000133093129 710968052 /nfs/dbraw/zinc/96/80/52/710968052.db2.gz TWKUMJQEBWHTBZ-VXGBXAGGSA-N 2 0 230.352 0.566 20 0 BCADRP C[C@]1(C[NH3+])CCN(CCC[NH2+]C2CC2)C1 ZINC000382532497 710973035 /nfs/dbraw/zinc/97/30/35/710973035.db2.gz JNZXIUIWZAHQMQ-GFCCVEGCSA-N 2 0 211.353 0.799 20 0 BCADRP CN(C[C@@H]1CC[NH2+]C1)[C@@H]1CCCCNC1=O ZINC000382754668 710974957 /nfs/dbraw/zinc/97/49/57/710974957.db2.gz MDIZQZCQHHCUSN-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@]1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCOC1 ZINC000383125729 710978236 /nfs/dbraw/zinc/97/82/36/710978236.db2.gz ULBUEWMYUSRYEA-OLZOCXBDSA-N 2 0 242.363 0.602 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[NH2+]1)[NH+]1CCCCC1 ZINC000384809572 710996629 /nfs/dbraw/zinc/99/66/29/710996629.db2.gz FCBJGAQXSARSDB-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP OCCCCCCN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385388325 711011109 /nfs/dbraw/zinc/01/11/09/711011109.db2.gz RNUIHGLEOHWSRU-NEPJUHHUSA-N 2 0 212.337 0.833 20 0 BCADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@H]1CO ZINC000385878729 711018768 /nfs/dbraw/zinc/01/87/68/711018768.db2.gz WOTZSSIDOKIIQX-LLVKDONJSA-N 2 0 200.326 0.962 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000389664473 711085754 /nfs/dbraw/zinc/08/57/54/711085754.db2.gz STKMIYKSQJWWQN-VXGBXAGGSA-N 2 0 239.363 0.714 20 0 BCADRP CNC(=O)[C@H](C)C[N@H+](C)CCCCCC[NH3+] ZINC000390163658 711107743 /nfs/dbraw/zinc/10/77/43/711107743.db2.gz DDEIVXWYPPWFSO-LLVKDONJSA-N 2 0 229.368 0.819 20 0 BCADRP CC(C)[NH+]1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000390550067 711125008 /nfs/dbraw/zinc/12/50/08/711125008.db2.gz XEXRZBJYLHUUEF-SNVBAGLBSA-N 2 0 235.322 0.995 20 0 BCADRP CCN1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CC1=O ZINC000391591690 711138700 /nfs/dbraw/zinc/13/87/00/711138700.db2.gz FTHWEIWLLQTJEA-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP CO[C@H](C)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000392889502 711153356 /nfs/dbraw/zinc/15/33/56/711153356.db2.gz SFECEOFMTZUWMC-HDLKOFKZSA-N 2 0 224.348 0.997 20 0 BCADRP C[N@@H+]1CC[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000392923973 711153952 /nfs/dbraw/zinc/15/39/52/711153952.db2.gz PNCNNILSNCFSEB-RJRAAQABSA-N 2 0 221.348 0.277 20 0 BCADRP OC1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCC1 ZINC000392835585 711153981 /nfs/dbraw/zinc/15/39/81/711153981.db2.gz KVQCPJBBAMDBRC-NGDQXYMTSA-N 2 0 222.332 0.487 20 0 BCADRP C[N@@H+]1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000392923969 711154045 /nfs/dbraw/zinc/15/40/45/711154045.db2.gz PNCNNILSNCFSEB-LIBFEPKXSA-N 2 0 221.348 0.277 20 0 BCADRP CC(C)(C)[C@@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000393977332 711179924 /nfs/dbraw/zinc/17/99/24/711179924.db2.gz XTNFHIWPDWMYRZ-VXGBXAGGSA-N 2 0 244.379 0.440 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NCCOCC[NH+](C)C ZINC000396587815 711357422 /nfs/dbraw/zinc/35/74/22/711357422.db2.gz AYOOATVLPUPGEK-VXGBXAGGSA-N 2 0 229.368 0.295 20 0 BCADRP COC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000397929315 711396967 /nfs/dbraw/zinc/39/69/67/711396967.db2.gz AXKRSKDAWBAKHN-USWWRNFRSA-N 2 0 212.337 0.857 20 0 BCADRP C[C@@H]1CN(CCOC(F)F)CC[C@H]1[NH3+] ZINC000398176059 711403884 /nfs/dbraw/zinc/40/38/84/711403884.db2.gz KACHRZOUCKFAGB-HTQZYQBOSA-N 2 0 208.252 0.895 20 0 BCADRP C[NH+]1CCC(C[NH2+]Cc2cnn[nH]2)CC1 ZINC000398296310 711406609 /nfs/dbraw/zinc/40/66/09/711406609.db2.gz DIUZTPNBKRYETO-UHFFFAOYSA-N 2 0 209.297 0.236 20 0 BCADRP C[C@@H]1COCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000399332186 711427682 /nfs/dbraw/zinc/42/76/82/711427682.db2.gz VNZVYPBNZHOISE-NWDGAFQWSA-N 2 0 212.337 0.954 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000381283861 710616147 /nfs/dbraw/zinc/61/61/47/710616147.db2.gz ZADIPIFMZFAKPD-AEJSXWLSSA-N 2 0 213.325 0.357 20 0 BCADRP CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001045089743 710835415 /nfs/dbraw/zinc/83/54/15/710835415.db2.gz NVSIYUTWJQPKHC-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000383035325 710841467 /nfs/dbraw/zinc/84/14/67/710841467.db2.gz FMKRPXVAQZEKKN-VWBGDHHKSA-N 2 0 236.359 0.997 20 0 BCADRP CC(C)[C@](C)(CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000398579489 710910016 /nfs/dbraw/zinc/91/00/16/710910016.db2.gz SBKMEHSMCZSCIG-OLZOCXBDSA-N 2 0 244.379 0.440 20 0 BCADRP CC(C)[C@@](C)(CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000398579491 710910244 /nfs/dbraw/zinc/91/02/44/710910244.db2.gz SBKMEHSMCZSCIG-QWHCGFSZSA-N 2 0 244.379 0.440 20 0 BCADRP [NH3+]CC1(O)CC[NH+](CCCC2CC2)CC1 ZINC000397015820 710910367 /nfs/dbraw/zinc/91/03/67/710910367.db2.gz APECHBIFQIGLBH-UHFFFAOYSA-N 2 0 212.337 0.962 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000383635704 710984984 /nfs/dbraw/zinc/98/49/84/710984984.db2.gz YCXUBYRMPXAIMJ-NWDGAFQWSA-N 2 0 239.363 0.572 20 0 BCADRP CN1CCC[NH+]=C1NCC[NH+]1CCCCC1 ZINC000386576535 711032429 /nfs/dbraw/zinc/03/24/29/711032429.db2.gz NJUKRAZMMNDGKL-UHFFFAOYSA-N 2 0 224.352 0.753 20 0 BCADRP CN1CCC[NH+]=C1NCCC1CC[NH+](C)CC1 ZINC000386544933 711032723 /nfs/dbraw/zinc/03/27/23/711032723.db2.gz FMDIKXDKQLKXDX-UHFFFAOYSA-N 2 0 238.379 0.999 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC2=[NH+]CCCN2C)C1 ZINC000386572151 711032825 /nfs/dbraw/zinc/03/28/25/711032825.db2.gz LZOYHUKTWHREFD-LLVKDONJSA-N 2 0 224.352 0.609 20 0 BCADRP Cc1n[nH]c(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000392393146 711147701 /nfs/dbraw/zinc/14/77/01/711147701.db2.gz WSBBFKJDSDLNJV-YOGCLGLASA-N 2 0 249.362 0.870 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC[NH+]1CCC(O)CC1 ZINC000396697324 711366095 /nfs/dbraw/zinc/36/60/95/711366095.db2.gz FTOVTZJENCSRRY-AAEUAGOBSA-N 2 0 241.379 0.173 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397303488 711380767 /nfs/dbraw/zinc/38/07/67/711380767.db2.gz LNPRTAJHDVKVOR-ZDEQEGDKSA-N 2 0 244.379 0.689 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000713227612 711452794 /nfs/dbraw/zinc/45/27/94/711452794.db2.gz XDGBCUCEQAXMBP-XZUYRWCXSA-N 2 0 237.347 0.324 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000891395801 711511022 /nfs/dbraw/zinc/51/10/22/711511022.db2.gz ZRKRFXGZWZCBSV-GFCCVEGCSA-N 2 0 239.363 0.526 20 0 BCADRP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000308732322 711530340 /nfs/dbraw/zinc/53/03/40/711530340.db2.gz WIYWHRBQTFBKAV-NEPJUHHUSA-N 2 0 212.337 0.785 20 0 BCADRP CCn1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)nn1 ZINC000723679407 711533692 /nfs/dbraw/zinc/53/36/92/711533692.db2.gz CQQDKHNOKZYLKP-JTQLQIEISA-N 2 0 223.324 0.469 20 0 BCADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CC[NH3+] ZINC000723885830 711543128 /nfs/dbraw/zinc/54/31/28/711543128.db2.gz CSJHWKPIWLINQA-GMTAPVOTSA-N 2 0 225.336 0.134 20 0 BCADRP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892179 711544278 /nfs/dbraw/zinc/54/42/78/711544278.db2.gz PSWXGNKMFDSINE-GRYCIOLGSA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724544388 711588333 /nfs/dbraw/zinc/58/83/33/711588333.db2.gz KHFIKLPWPSBVJN-PPCPHDFISA-N 2 0 240.347 0.507 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724544387 711588375 /nfs/dbraw/zinc/58/83/75/711588375.db2.gz KHFIKLPWPSBVJN-OFTGVCEQSA-N 2 0 240.347 0.507 20 0 BCADRP CN(C(=O)C[C@H]1CCC[NH2+]1)C1CCC([NH3+])CC1 ZINC000161501196 711602872 /nfs/dbraw/zinc/60/28/72/711602872.db2.gz XLPBRGSKVIVFCO-MOENNCHZSA-N 2 0 239.363 0.857 20 0 BCADRP C[N@H+](CCO[C@@H]1CCOC1)CC(C)(C)C[NH3+] ZINC000724921819 711628591 /nfs/dbraw/zinc/62/85/91/711628591.db2.gz NHSONHHTXHJTLE-LLVKDONJSA-N 2 0 230.352 0.709 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COC)[C@@H](C)C1 ZINC000309646017 711659477 /nfs/dbraw/zinc/65/94/77/711659477.db2.gz MFRHOGXEXLBVKN-SDDRHHMPSA-N 2 0 230.352 0.314 20 0 BCADRP [NH3+]C[C@H](N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC1 ZINC000925700952 711710479 /nfs/dbraw/zinc/71/04/79/711710479.db2.gz XRLFMIZVXGODNQ-RJRAAQABSA-N 2 0 221.348 0.310 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000722149850 711712178 /nfs/dbraw/zinc/71/21/78/711712178.db2.gz OLMRIPAKNPOBNV-MNOVXSKESA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925719179 711715474 /nfs/dbraw/zinc/71/54/74/711715474.db2.gz QEQRUMQZRFUHEC-BMLQCNMVSA-N 2 0 221.348 0.323 20 0 BCADRP C[C@@H]([NH2+][C@H]1CN(C)C[C@H]1C)C1CC[NH2+]CC1 ZINC000722253578 711731444 /nfs/dbraw/zinc/73/14/44/711731444.db2.gz OBCOLGDCNRJSFB-WZRBSPASSA-N 2 0 225.380 0.914 20 0 BCADRP C[NH2+][C@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000310285567 711760339 /nfs/dbraw/zinc/76/03/39/711760339.db2.gz QKVVVGCZKPIDLU-QWHCGFSZSA-N 2 0 241.379 0.127 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424031210 711798057 /nfs/dbraw/zinc/79/80/57/711798057.db2.gz SIVYQNFKXKVZKM-AAEUAGOBSA-N 2 0 239.363 0.729 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000160045055 711805628 /nfs/dbraw/zinc/80/56/28/711805628.db2.gz BPVLKTUPKGWBOW-LLVKDONJSA-N 2 0 225.336 0.280 20 0 BCADRP COC[C@H](CCO)[NH2+]CC1CC[NH+](C)CC1 ZINC000228264943 711834219 /nfs/dbraw/zinc/83/42/19/711834219.db2.gz BRGAAYKWNIKRJL-LBPRGKRZSA-N 2 0 230.352 0.315 20 0 BCADRP COC[C@H](C[N@@H+]1CCCO[C@@H](C[NH3+])C1)C(C)C ZINC000721918711 711920053 /nfs/dbraw/zinc/92/00/53/711920053.db2.gz LLZOGXYBOYVJDF-STQMWFEESA-N 2 0 244.379 0.955 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC000226539957 711958157 /nfs/dbraw/zinc/95/81/57/711958157.db2.gz VYXREODAAHPIOT-PWSUYJOCSA-N 2 0 222.336 0.632 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000701036627 712013025 /nfs/dbraw/zinc/01/30/25/712013025.db2.gz AROVGYHOXGQCCF-CHWSQXEVSA-N 2 0 242.363 0.722 20 0 BCADRP C[NH+](C)C1CC(NC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000701507414 712025132 /nfs/dbraw/zinc/02/51/32/712025132.db2.gz VSFWQEOQBUWOJR-UHFFFAOYSA-N 2 0 241.379 0.973 20 0 BCADRP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000702621888 712056421 /nfs/dbraw/zinc/05/64/21/712056421.db2.gz CYXQKTJINRBHFO-FRRDWIJNSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000702621884 712056578 /nfs/dbraw/zinc/05/65/78/712056578.db2.gz CYXQKTJINRBHFO-AGIUHOORSA-N 2 0 242.363 0.458 20 0 BCADRP [NH3+][C@H]1C[C@H]([NH2+]CCOCCF)C12CCC2 ZINC000702654678 712058763 /nfs/dbraw/zinc/05/87/63/712058763.db2.gz QBXAQOBNAYBNSL-UWVGGRQHSA-N 2 0 216.300 0.832 20 0 BCADRP C[C@@H]([NH2+][C@@H]1CNOC1)C1CC[NH+](C)CC1 ZINC000703398401 712075104 /nfs/dbraw/zinc/07/51/04/712075104.db2.gz OKVCXXBEJNYTDY-MWLCHTKSSA-N 2 0 213.325 0.210 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC([NH3+])C1 ZINC000703465458 712075918 /nfs/dbraw/zinc/07/59/18/712075918.db2.gz BRIBJTMYJMBQHG-VQXHTEKXSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000703535352 712078004 /nfs/dbraw/zinc/07/80/04/712078004.db2.gz PMWQVEVTMRVRSK-BETUJISGSA-N 2 0 246.358 0.941 20 0 BCADRP CC(C)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000703585191 712079756 /nfs/dbraw/zinc/07/97/56/712079756.db2.gz ZZAGFOGWMIHKMZ-TXEJJXNPSA-N 2 0 211.353 0.750 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C1CC([NH3+])C1 ZINC000703583119 712079814 /nfs/dbraw/zinc/07/98/14/712079814.db2.gz NBRTZNWWMNCGQN-KPPDAEKUSA-N 2 0 227.352 0.570 20 0 BCADRP COCC(COC)[NH+]1CCC(C)([NH3+])CC1 ZINC000704601016 712112254 /nfs/dbraw/zinc/11/22/54/712112254.db2.gz NTRGSAFYKOEHOD-UHFFFAOYSA-N 2 0 216.325 0.461 20 0 BCADRP c1cnc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000705326226 712128262 /nfs/dbraw/zinc/12/82/62/712128262.db2.gz VDSARBYRZNCXCV-IJLUTSLNSA-N 2 0 232.331 0.954 20 0 BCADRP COC[C@H](O)C[NH+]1C[C@@]2(C)CN(C)C[C@]2(C)C1 ZINC000705672252 712134951 /nfs/dbraw/zinc/13/49/51/712134951.db2.gz TUOWLQSKFWRSDS-JHJVBQTASA-N 2 0 242.363 0.267 20 0 BCADRP C[C@@H](C[N@@H+]1CC[C@@H](CC[NH3+])C1)CS(C)(=O)=O ZINC000706567664 712150068 /nfs/dbraw/zinc/15/00/68/712150068.db2.gz AFPRHAMFSPIXGF-WDEREUQCSA-N 2 0 248.392 0.338 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CCn1cccn1 ZINC000707363605 712169295 /nfs/dbraw/zinc/16/92/95/712169295.db2.gz NFCSSFYFLFYDDE-NEPJUHHUSA-N 2 0 222.336 0.670 20 0 BCADRP CC[C@@H](CO)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000707891352 712172447 /nfs/dbraw/zinc/17/24/47/712172447.db2.gz CUBIMLVGOAXZBL-QWRGUYRKSA-N 2 0 200.326 0.831 20 0 BCADRP CN1CCC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1=O ZINC000707731074 712177053 /nfs/dbraw/zinc/17/70/53/712177053.db2.gz CBTXFXIHZFKATO-HBNTYKKESA-N 2 0 237.347 0.467 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000709272171 712219066 /nfs/dbraw/zinc/21/90/66/712219066.db2.gz BOQVEVQNEMYVLG-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)C1CC[NH+](C)CC1 ZINC000709313114 712219755 /nfs/dbraw/zinc/21/97/55/712219755.db2.gz DZEJXIXDRYWBSQ-SECBINFHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCOC1)[NH2+]2 ZINC000709385169 712220540 /nfs/dbraw/zinc/22/05/40/712220540.db2.gz JANBVFBNQPADCW-IYKVGLELSA-N 2 0 210.321 0.894 20 0 BCADRP COC(=O)[C@@H]1CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000709480572 712222616 /nfs/dbraw/zinc/22/26/16/712222616.db2.gz CSQMYBPDTUENQX-LBPRGKRZSA-N 2 0 240.347 0.966 20 0 BCADRP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000710691368 712254122 /nfs/dbraw/zinc/25/41/22/712254122.db2.gz UJEDKOMDFFPHFN-LITXJTQSSA-N 2 0 236.359 0.876 20 0 BCADRP COC(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000710712921 712254917 /nfs/dbraw/zinc/25/49/17/712254917.db2.gz CVMMRURWUZILKD-SNVBAGLBSA-N 2 0 216.325 0.999 20 0 BCADRP Cn1nncc1C[N@H+](C)CCCCCC[NH3+] ZINC000710763764 712256090 /nfs/dbraw/zinc/25/60/90/712256090.db2.gz AYIHQOAKSLVYPR-UHFFFAOYSA-N 2 0 225.340 0.766 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710853716 712259396 /nfs/dbraw/zinc/25/93/96/712259396.db2.gz IFVDZQTZFGXOSO-XYPYZODXSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)OCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710671650 712265471 /nfs/dbraw/zinc/26/54/71/712265471.db2.gz JWBKUJHEPBOACH-UHFFFAOYSA-N 2 0 244.379 0.800 20 0 BCADRP COC1(OC)CC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000710986496 712271704 /nfs/dbraw/zinc/27/17/04/712271704.db2.gz DWIOMSVAGVPYDX-GFCCVEGCSA-N 2 0 240.347 0.989 20 0 BCADRP O[C@@H](CN1CC[C@@H](CF)C1)C[NH+]1CCCC1 ZINC000711471365 712303301 /nfs/dbraw/zinc/30/33/01/712303301.db2.gz SQCOQDKGBQHSRX-NWDGAFQWSA-N 2 0 230.327 0.735 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOC1CC1)C2 ZINC000711681396 712316897 /nfs/dbraw/zinc/31/68/97/712316897.db2.gz NYHQLWIMNMZQRX-AXFHLTTASA-N 2 0 210.321 0.977 20 0 BCADRP C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)OC1CC1 ZINC000711764676 712327475 /nfs/dbraw/zinc/32/74/75/712327475.db2.gz FFTWNZRGAUBVKJ-GFCCVEGCSA-N 2 0 239.363 0.145 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000923480263 712334565 /nfs/dbraw/zinc/33/45/65/712334565.db2.gz HBJJNOKOLSQSMZ-NEPJUHHUSA-N 3 0 239.363 0.178 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000923480278 712334662 /nfs/dbraw/zinc/33/46/62/712334662.db2.gz WHNIRUNLTAUHJI-UTUOFQBUSA-N 3 0 211.353 0.785 20 0 BCADRP CC(C)(C)CNC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479722 712334744 /nfs/dbraw/zinc/33/47/44/712334744.db2.gz SDGSEFQLCUXZQR-LLVKDONJSA-N 2 0 241.379 0.819 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000923480277 712334754 /nfs/dbraw/zinc/33/47/54/712334754.db2.gz WHNIRUNLTAUHJI-TUAOUCFPSA-N 3 0 211.353 0.785 20 0 BCADRP C[NH2+]CCN(C)C(=O)CC[NH2+]CC1CC1 ZINC000717244535 712385431 /nfs/dbraw/zinc/38/54/31/712385431.db2.gz YICVDUPLGUUPEX-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP CC[N@H+](CCCCCC[NH3+])CC(=O)NC ZINC000379775225 712398519 /nfs/dbraw/zinc/39/85/19/712398519.db2.gz COQSOVBSEBPOQL-UHFFFAOYSA-N 2 0 215.341 0.573 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN2C)CC[N@@H+]1C ZINC000712611929 712437333 /nfs/dbraw/zinc/43/73/33/712437333.db2.gz APQVUBRRUUTMFL-UTUOFQBUSA-N 2 0 211.353 0.763 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712667910 712439541 /nfs/dbraw/zinc/43/95/41/712439541.db2.gz DGMAZJONMBCECV-SNVBAGLBSA-N 2 0 227.352 0.666 20 0 BCADRP C[N@H+](CCCCCC[NH3+])CCn1cnnn1 ZINC000712550428 712444516 /nfs/dbraw/zinc/44/45/16/712444516.db2.gz FZTPHRITHYIFSK-UHFFFAOYSA-N 2 0 226.328 0.124 20 0 BCADRP C[C@H]1CCC[N@H+](CCn2cnnn2)[C@@H]1CC[NH3+] ZINC000712574857 712448035 /nfs/dbraw/zinc/44/80/35/712448035.db2.gz DNJOXHMOKWJFBS-WDEREUQCSA-N 2 0 238.339 0.122 20 0 BCADRP CCC[N@H+](CCn1cnnn1)C1CC[NH2+]CC1 ZINC000712574858 712448048 /nfs/dbraw/zinc/44/80/48/712448048.db2.gz DNXMCPMHYRJNPR-UHFFFAOYSA-N 2 0 238.339 0.137 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000712576967 712448346 /nfs/dbraw/zinc/44/83/46/712448346.db2.gz COHMWTPILNNNBQ-OLZOCXBDSA-N 2 0 241.379 0.127 20 0 BCADRP C[N@H+](CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CC1 ZINC000713225344 712455656 /nfs/dbraw/zinc/45/56/56/712455656.db2.gz LAJQDZDPDFZGAP-NRUUGDAUSA-N 2 0 237.347 0.324 20 0 BCADRP CCn1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)nn1 ZINC000714425431 712486349 /nfs/dbraw/zinc/48/63/49/712486349.db2.gz CYEYKUATGPFZTO-LLVKDONJSA-N 2 0 237.351 0.859 20 0 BCADRP C[C@H]1C[N@H+](CCN2CCOC2=O)CC[C@H]1C[NH3+] ZINC000714537975 712494372 /nfs/dbraw/zinc/49/43/72/712494372.db2.gz WUDJOMJKBGNLHG-QWRGUYRKSA-N 2 0 241.335 0.355 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715145076 712512004 /nfs/dbraw/zinc/51/20/04/712512004.db2.gz WPYQSHQAHKRCFH-YUMQZZPRSA-N 2 0 249.305 0.283 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715145254 712512120 /nfs/dbraw/zinc/51/21/20/712512120.db2.gz YEAKYMLYBCUIBI-CIUDSAMLSA-N 2 0 249.305 0.283 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715516768 712524936 /nfs/dbraw/zinc/52/49/36/712524936.db2.gz HEXLBSBSFQQUEN-GARJFASQSA-N 2 0 227.352 0.583 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715570732 712529310 /nfs/dbraw/zinc/52/93/10/712529310.db2.gz LWSVWJJKOITAAR-SRVKXCTJSA-N 2 0 241.379 0.973 20 0 BCADRP C[NH+](C)C1(C)CCC([NH2+]CCC(N)=O)CC1 ZINC000715575707 712529439 /nfs/dbraw/zinc/52/94/39/712529439.db2.gz YYBSQMMRGKHVBP-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP CC1(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)OCCO1 ZINC000715896180 712540853 /nfs/dbraw/zinc/54/08/53/712540853.db2.gz SVFVRZQVZCEWES-GHMZBOCLSA-N 2 0 228.336 0.999 20 0 BCADRP C[C@H]([NH2+]CCC1(C)OCCO1)[C@@H]1CCC[NH2+]1 ZINC000716033306 712547114 /nfs/dbraw/zinc/54/71/14/712547114.db2.gz KGSKFJKVCXXVIU-QWRGUYRKSA-N 2 0 228.336 0.870 20 0 BCADRP CC1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)OCCO1 ZINC000716819649 712576822 /nfs/dbraw/zinc/57/68/22/712576822.db2.gz NUHVFPKZMZHNCL-UWVGGRQHSA-N 2 0 214.309 0.609 20 0 BCADRP CC[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000818610788 712590137 /nfs/dbraw/zinc/59/01/37/712590137.db2.gz VLJFFZKMMBRXNF-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H](CNC1=[NH+]C[C@@H](C)N1)[NH+]1CCCC1 ZINC000379867751 712619258 /nfs/dbraw/zinc/61/92/58/712619258.db2.gz OXOHHOMJMVVCRO-ZJUUUORDSA-N 2 0 210.325 0.408 20 0 BCADRP C[C@@H](CO)C[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000717424172 712658119 /nfs/dbraw/zinc/65/81/19/712658119.db2.gz BAXVGYHOVFAFGL-UTUOFQBUSA-N 2 0 212.337 0.783 20 0 BCADRP C[NH+]1CCC(C[NH2+]CCc2cnccn2)CC1 ZINC000389956855 712692358 /nfs/dbraw/zinc/69/23/58/712692358.db2.gz BSVQDYURQPOBDA-UHFFFAOYSA-N 2 0 234.347 0.951 20 0 BCADRP CNC(=O)[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000718011426 712735695 /nfs/dbraw/zinc/73/56/95/712735695.db2.gz NKYSIOLPGLLRLF-WOPDTQHZSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]([NH2+]CCS(C)(=O)=O)C1CC[NH+](C)CC1 ZINC000037740722 712753599 /nfs/dbraw/zinc/75/35/99/712753599.db2.gz KQHQWTDPPBYWMC-SNVBAGLBSA-N 2 0 248.392 0.351 20 0 BCADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCNCC1 ZINC000719222295 712800285 /nfs/dbraw/zinc/80/02/85/712800285.db2.gz GUSFCEMPMJHUPL-YOGCLGLASA-N 2 0 209.337 0.422 20 0 BCADRP Cc1cc(N[C@H]2CC[N@H+](C)[C@H]2C)nc(N)[nH+]1 ZINC000719364741 712806241 /nfs/dbraw/zinc/80/62/41/712806241.db2.gz GSOXXUXUIXEJAH-IUCAKERBSA-N 2 0 221.308 0.872 20 0 BCADRP C[C@@H](CNC(=O)CC[NH2+]C(C)(C)C)[NH+](C)C ZINC000038089280 712806779 /nfs/dbraw/zinc/80/67/79/712806779.db2.gz MIIKLVXBUPGTDS-JTQLQIEISA-N 2 0 229.368 0.831 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000038089209 712806984 /nfs/dbraw/zinc/80/69/84/712806984.db2.gz RVUQSIDBOYKIDG-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP CCN(C)C[C@@H](O)C[NH2+][C@@H](C)C(C)(C)OC ZINC000720250677 712829629 /nfs/dbraw/zinc/82/96/29/712829629.db2.gz RCFAFPNUOKLWDZ-QWRGUYRKSA-N 2 0 232.368 0.702 20 0 BCADRP CSCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000392841468 712839199 /nfs/dbraw/zinc/83/91/99/712839199.db2.gz STPDEBNSUVUTNL-OGBGREFGSA-N 2 0 212.362 0.935 20 0 BCADRP CC(C)(CO)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000392890886 712857581 /nfs/dbraw/zinc/85/75/81/712857581.db2.gz TZIXCKWGDIKOCL-KKJSVHSVSA-N 2 0 224.348 0.591 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720808369 712867089 /nfs/dbraw/zinc/86/70/89/712867089.db2.gz WCKOWHCNDWYGGR-RWMBFGLXSA-N 2 0 242.363 0.851 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720888201 712874191 /nfs/dbraw/zinc/87/41/91/712874191.db2.gz MHRJRNGKPGXDPE-VWYCJHECSA-N 2 0 225.336 0.276 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720898699 712874913 /nfs/dbraw/zinc/87/49/13/712874913.db2.gz KWSFPEUWYGCSKX-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@H]1CCC[NH2+]1 ZINC000720903827 712874871 /nfs/dbraw/zinc/87/48/71/712874871.db2.gz VVXRJURUSZHLFI-UTUOFQBUSA-N 2 0 237.347 0.434 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[NH2+]1 ZINC000720903798 712875187 /nfs/dbraw/zinc/87/51/87/712875187.db2.gz VVXRJURUSZHLFI-SDDRHHMPSA-N 2 0 237.347 0.434 20 0 BCADRP CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCOCC[NH3+] ZINC000720890341 712875239 /nfs/dbraw/zinc/87/52/39/712875239.db2.gz LRGLTITZKCHIPW-NWDGAFQWSA-N 2 0 227.352 0.130 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(C)(C)C[NH3+] ZINC000720890770 712875250 /nfs/dbraw/zinc/87/52/50/712875250.db2.gz UEEVYSPVVMPREQ-GHMZBOCLSA-N 2 0 239.363 0.666 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CCCC[NH3+] ZINC000720901801 712875974 /nfs/dbraw/zinc/87/59/74/712875974.db2.gz UBXZSLODRCYKRK-NWDGAFQWSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000720907401 712876350 /nfs/dbraw/zinc/87/63/50/712876350.db2.gz LOSOIRDHKDFGMK-KKOKHZNYSA-N 2 0 212.337 0.878 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000720907398 712876985 /nfs/dbraw/zinc/87/69/85/712876985.db2.gz LOSOIRDHKDFGMK-BJDJZHNGSA-N 2 0 212.337 0.878 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720904914 712877282 /nfs/dbraw/zinc/87/72/82/712877282.db2.gz XSTFVFIQPBRWPL-QJPTWQEYSA-N 2 0 239.363 0.537 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C[C@H]1C[NH2+]CCO1 ZINC000720904154 712877309 /nfs/dbraw/zinc/87/73/09/712877309.db2.gz YZZQTVNSDLHGOC-JHJVBQTASA-N 2 0 239.363 0.143 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C[C@@H]1C[NH2+]CCO1 ZINC000720904160 712877396 /nfs/dbraw/zinc/87/73/96/712877396.db2.gz YZZQTVNSDLHGOC-YNEHKIRRSA-N 2 0 239.363 0.143 20 0 BCADRP C([C@@H]1CCOC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720932977 712880064 /nfs/dbraw/zinc/88/00/64/712880064.db2.gz YVPIOFHKKYITSK-SRVKXCTJSA-N 2 0 210.321 0.849 20 0 BCADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H](O)C2)CC[N@@H+]1C ZINC000720956339 712882710 /nfs/dbraw/zinc/88/27/10/712882710.db2.gz IMDQSPQNGIAMSO-YFKTTZPYSA-N 2 0 212.337 0.830 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720963272 712883311 /nfs/dbraw/zinc/88/33/11/712883311.db2.gz SRMCYHGQBVNWSW-FIQHERPVSA-N 2 0 212.337 0.864 20 0 BCADRP O[C@H]1C[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000720979054 712885356 /nfs/dbraw/zinc/88/53/56/712885356.db2.gz YSTCFSQUPNXZRL-CCKSWGLSSA-N 2 0 222.332 0.343 20 0 BCADRP CC(C)NC(=O)CN(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721039878 712887483 /nfs/dbraw/zinc/88/74/83/712887483.db2.gz KXKFKUVDSTTXFI-MNOVXSKESA-N 2 0 227.352 0.298 20 0 BCADRP CC[C@@H]1C(=O)NCCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000721038136 712887588 /nfs/dbraw/zinc/88/75/88/712887588.db2.gz NZOIOIPALXWWKQ-OUAUKWLOSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000721040388 712887715 /nfs/dbraw/zinc/88/77/15/712887715.db2.gz RWLODIWXOYCVLB-JFGNBEQYSA-N 2 0 225.336 0.039 20 0 BCADRP Cc1c[nH+]c(N2CCN3CC[NH2+]C[C@@H]3C2)cc1N ZINC001164404435 718838436 /nfs/dbraw/zinc/83/84/36/718838436.db2.gz MRWOJQDWIKDIOS-LLVKDONJSA-N 2 0 247.346 0.066 20 0 BCADRP C[C@@H]1CN(c2ncc3c(n2)C[NH2+]C3)[C@@H](C)C[N@@H+]1C ZINC001164642417 719196067 /nfs/dbraw/zinc/19/60/67/719196067.db2.gz YFCBIVKYQAWKRZ-ZJUUUORDSA-N 2 0 247.346 0.609 20 0 BCADRP C[NH+](C)[C@H]1CCCN(c2ncc3c(n2)C[NH2+]C3)C1 ZINC001165040043 721891087 /nfs/dbraw/zinc/89/10/87/721891087.db2.gz SLEWDFBHMPUCBX-NSHDSACASA-N 2 0 247.346 0.610 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649276917 398135545 /nfs/dbraw/zinc/13/55/45/398135545.db2.gz SHMZZLJWFXCZJZ-URLYPYJESA-N 2 0 239.363 0.156 20 0 BCADRP C[NH2+]CCNC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000418329943 192025392 /nfs/dbraw/zinc/02/53/92/192025392.db2.gz OWGSHRXZAWEJAT-NSHDSACASA-N 2 0 242.367 0.187 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649318586 398141827 /nfs/dbraw/zinc/14/18/27/398141827.db2.gz XPXMAYAQURUYHE-KXNHARMFSA-N 2 0 237.347 0.289 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649318558 398141839 /nfs/dbraw/zinc/14/18/39/398141839.db2.gz VVVKZPUCQAVNOG-WYUUTHIRSA-N 2 0 237.347 0.004 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H](C)[NH2+]C ZINC000309784586 168321203 /nfs/dbraw/zinc/32/12/03/168321203.db2.gz NRQJONZHICJDGN-SECBINFHSA-N 2 0 215.341 0.476 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CCN(C)C[C@H]1C ZINC000228765595 168321777 /nfs/dbraw/zinc/32/17/77/168321777.db2.gz UJFYOUZFAOZJDT-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236698365 168322377 /nfs/dbraw/zinc/32/23/77/168322377.db2.gz QDXDCTGOSUEPFV-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]CCNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000418336298 192025795 /nfs/dbraw/zinc/02/57/95/192025795.db2.gz WYDPUWRSNPMYOK-UHFFFAOYSA-N 2 0 242.367 0.332 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000361739781 168323971 /nfs/dbraw/zinc/32/39/71/168323971.db2.gz YZNSKYDQWRSICI-LLVKDONJSA-N 2 0 231.315 0.322 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000257789464 349483477 /nfs/dbraw/zinc/48/34/77/349483477.db2.gz XAFPYIGTJVFJDR-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP COCCN1CC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000378729357 346817170 /nfs/dbraw/zinc/81/71/70/346817170.db2.gz KIEHZEYRRPDNDP-UTLUCORTSA-N 2 0 234.290 0.950 20 0 BCADRP C[C@@]1(C(=O)NCCC[NH+]2CCCC2)CC[NH2+]C1 ZINC000062890217 349495170 /nfs/dbraw/zinc/49/51/70/349495170.db2.gz PCVZHBAPWRDQNF-CYBMUJFWSA-N 2 0 239.363 0.588 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C[NH2+]C2CC2)C1 ZINC000062972780 349502897 /nfs/dbraw/zinc/50/28/97/349502897.db2.gz ZLGCNEAGDMCYRP-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]CCCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062967736 349502918 /nfs/dbraw/zinc/50/29/18/349502918.db2.gz BEVNLDJIUNFROW-LBPRGKRZSA-N 2 0 211.353 0.766 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[N@@H+]1C ZINC000649333370 398149868 /nfs/dbraw/zinc/14/98/68/398149868.db2.gz PHKGJGFXJPZLFN-OOCWMUITSA-N 2 0 237.347 0.336 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)CCC(C)(C)[NH3+] ZINC000389998859 398154593 /nfs/dbraw/zinc/15/45/93/398154593.db2.gz RMTCWPDYTXWMKM-MRVPVSSYSA-N 2 0 201.314 0.310 20 0 BCADRP COC[C@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000389980045 398154700 /nfs/dbraw/zinc/15/47/00/398154700.db2.gz IAJMJMHSFMYLDI-SNVBAGLBSA-N 2 0 202.298 0.073 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000649341517 398157495 /nfs/dbraw/zinc/15/74/95/398157495.db2.gz CJGWFILFTUGRTA-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000649341514 398157619 /nfs/dbraw/zinc/15/76/19/398157619.db2.gz CJGWFILFTUGRTA-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000516968925 398169147 /nfs/dbraw/zinc/16/91/47/398169147.db2.gz QDOWRFDRSASJCJ-ZJUUUORDSA-N 2 0 244.383 0.739 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000390358321 398169851 /nfs/dbraw/zinc/16/98/51/398169851.db2.gz QYTZRKJLVYQMQM-NSHDSACASA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000390353404 398170108 /nfs/dbraw/zinc/17/01/08/398170108.db2.gz PWINKQQZBNZHSU-LLVKDONJSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@@H](C(=O)N1CCC(C)([NH3+])CC1)[NH+](C)C ZINC000649357744 398170584 /nfs/dbraw/zinc/17/05/84/398170584.db2.gz HBMHAVVFIWVMBU-VIFPVBQESA-N 2 0 213.325 0.276 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000649359825 398171706 /nfs/dbraw/zinc/17/17/06/398171706.db2.gz FAJWCQKTFYAXFR-UTLUCORTSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000649359822 398171802 /nfs/dbraw/zinc/17/18/02/398171802.db2.gz FAJWCQKTFYAXFR-GUBZILKMSA-N 2 0 213.325 0.193 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH3+] ZINC000649359849 398172650 /nfs/dbraw/zinc/17/26/50/398172650.db2.gz FPZNKMCNEUWCFK-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@H](CC[NH3+])C1)[NH+](C)C ZINC000649360203 398172731 /nfs/dbraw/zinc/17/27/31/398172731.db2.gz MSWODYUTWRQDEH-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH3+] ZINC000649359848 398172750 /nfs/dbraw/zinc/17/27/50/398172750.db2.gz FPZNKMCNEUWCFK-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP C[N@H+](CCC[NH3+])CCOC[C@@H]1CCCO1 ZINC000390429441 398173448 /nfs/dbraw/zinc/17/34/48/398173448.db2.gz OHXFHJHDDHWNSO-NSHDSACASA-N 2 0 216.325 0.463 20 0 BCADRP C[C@@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)[NH+](C)C ZINC000649363320 398174190 /nfs/dbraw/zinc/17/41/90/398174190.db2.gz WURCIQUVBAIAOU-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@H](C)[NH+](C)C ZINC000649362966 398174261 /nfs/dbraw/zinc/17/42/61/398174261.db2.gz LRLDHXZVRDAZPU-ZJUUUORDSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H](C)[NH+](C)C ZINC000649362965 398174666 /nfs/dbraw/zinc/17/46/66/398174666.db2.gz LRLDHXZVRDAZPU-UWVGGRQHSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[NH2+]CC1(C)C)[NH+](C)C ZINC000649366250 398175959 /nfs/dbraw/zinc/17/59/59/398175959.db2.gz FRLLHLJSTLRGRC-UWVGGRQHSA-N 2 0 227.352 0.441 20 0 BCADRP COCC(C)(C)[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC000424289827 398178984 /nfs/dbraw/zinc/17/89/84/398178984.db2.gz CIZBFHDACICGPY-NSHDSACASA-N 2 0 229.368 0.376 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C)[NH+](C)C ZINC000649369350 398179073 /nfs/dbraw/zinc/17/90/73/398179073.db2.gz UAMVKOCFLNOKHX-NOOOWODRSA-N 2 0 241.379 0.768 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H](C)[NH+](C)C ZINC000649368156 398181353 /nfs/dbraw/zinc/18/13/53/398181353.db2.gz HADQTHDHUXBXMI-VIFPVBQESA-N 2 0 201.314 0.004 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[N@@H+]1C1CC1 ZINC000649348146 398161430 /nfs/dbraw/zinc/16/14/30/398161430.db2.gz AEBNGQIYOWIDST-ZDHGETPDSA-N 2 0 249.358 0.478 20 0 BCADRP C[C@H]([NH2+]CCC[NH3+])c1ccc(-n2cnnn2)cc1 ZINC000423174826 398164180 /nfs/dbraw/zinc/16/41/80/398164180.db2.gz CDOVWWOHNLLQPC-JTQLQIEISA-N 2 0 246.318 0.662 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CCC(C)(C)[NH3+] ZINC000390211846 398164570 /nfs/dbraw/zinc/16/45/70/398164570.db2.gz VTFKYKHVYNWCHK-VIFPVBQESA-N 2 0 215.341 0.603 20 0 BCADRP COC[C@@H](C)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000379763100 398164774 /nfs/dbraw/zinc/16/47/74/398164774.db2.gz FYFGWEKNOUFXIW-STQMWFEESA-N 2 0 241.379 0.248 20 0 BCADRP COC[C@H](C)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000379763095 398164964 /nfs/dbraw/zinc/16/49/64/398164964.db2.gz FYFGWEKNOUFXIW-CHWSQXEVSA-N 2 0 241.379 0.248 20 0 BCADRP COCC[N@@H+]1CC[C@@H](NC[C@H]2CCC[NH2+]2)C1 ZINC000423233148 398165250 /nfs/dbraw/zinc/16/52/50/398165250.db2.gz JFTHLJNJHFHPSW-VXGBXAGGSA-N 2 0 227.352 0.049 20 0 BCADRP Cc1nn(C)cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000576227236 365529472 /nfs/dbraw/zinc/52/94/72/365529472.db2.gz LYGLQMOMCPATPC-BDAKNGLRSA-N 2 0 210.325 0.944 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000576254446 365541317 /nfs/dbraw/zinc/54/13/17/365541317.db2.gz BVYQVIPPKOLXSF-WISYIIOYSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCCCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000576228519 365529666 /nfs/dbraw/zinc/52/96/66/365529666.db2.gz VUIOAIHHMUHOIA-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000576229306 365530990 /nfs/dbraw/zinc/53/09/90/365530990.db2.gz QNJGWRVODYZJCZ-GUDRVLHUSA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)(C[NH3+])NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000331763281 187326378 /nfs/dbraw/zinc/32/63/78/187326378.db2.gz KURRNYLHZLTLMI-VIFPVBQESA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000390669960 398200937 /nfs/dbraw/zinc/20/09/37/398200937.db2.gz SOUCXRMSIYXURL-KOLCDFICSA-N 2 0 225.336 0.134 20 0 BCADRP C[C@@H]([NH3+])CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000649411055 398209893 /nfs/dbraw/zinc/20/98/93/398209893.db2.gz JVIYLYBSVXIIRI-NEPJUHHUSA-N 2 0 227.352 0.130 20 0 BCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CC[NH2+]2)C1 ZINC000576270927 365543454 /nfs/dbraw/zinc/54/34/54/365543454.db2.gz LZQFZYBXACKWIQ-QJPTWQEYSA-N 2 0 237.347 0.291 20 0 BCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)[C@H]2CC[NH2+]2)C1 ZINC000576270928 365543583 /nfs/dbraw/zinc/54/35/83/365543583.db2.gz LZQFZYBXACKWIQ-TUAOUCFPSA-N 2 0 237.347 0.291 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000380714576 398206346 /nfs/dbraw/zinc/20/63/46/398206346.db2.gz NQBDKKNXNAOSKX-GHMZBOCLSA-N 2 0 225.336 0.276 20 0 BCADRP CCC[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000386436731 398207566 /nfs/dbraw/zinc/20/75/66/398207566.db2.gz MCLCXVVEDZLVMN-GRYCIOLGSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@@H]1C[C@H]1C ZINC000576338102 365569268 /nfs/dbraw/zinc/56/92/68/365569268.db2.gz MZEBXQDWJSFUDW-OUAUKWLOSA-N 2 0 225.336 0.052 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000576343410 365570246 /nfs/dbraw/zinc/57/02/46/365570246.db2.gz QHUSMQUVGWPVOI-CYBMUJFWSA-N 2 0 237.347 0.341 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000418362989 192028103 /nfs/dbraw/zinc/02/81/03/192028103.db2.gz BQFKBZGAXVJUIL-GARJFASQSA-N 2 0 242.367 0.269 20 0 BCADRP Cc1noc(CCC[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000576346686 365572205 /nfs/dbraw/zinc/57/22/05/365572205.db2.gz VNBGPJQGKZHYHM-GXSJLCMTSA-N 2 0 238.335 0.980 20 0 BCADRP Cn1nccc1CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386721218 398218218 /nfs/dbraw/zinc/21/82/18/398218218.db2.gz YGRZXBLVNAZPMD-BETUJISGSA-N 2 0 248.374 0.894 20 0 BCADRP Cc1cc(C)n(CCN2CCC[C@H]([NH3+])C2)n1 ZINC000386747427 398219038 /nfs/dbraw/zinc/21/90/38/398219038.db2.gz FQQLMJZPLFKESV-LBPRGKRZSA-N 2 0 222.336 0.923 20 0 BCADRP C[C@H]([NH3+])CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000649411057 398210118 /nfs/dbraw/zinc/21/01/18/398210118.db2.gz JVIYLYBSVXIIRI-RYUDHWBXSA-N 2 0 227.352 0.130 20 0 BCADRP C[C@H]1C[C@H](NC(=O)N(C)CCC[NH3+])CC[N@@H+]1C ZINC000576361081 365578881 /nfs/dbraw/zinc/57/88/81/365578881.db2.gz MMLJVUSBFHDLNO-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP CCOCC[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411683 398213191 /nfs/dbraw/zinc/21/31/91/398213191.db2.gz RGAZXGXDXBNEOJ-CYBMUJFWSA-N 2 0 241.379 0.250 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000417449552 398223622 /nfs/dbraw/zinc/22/36/22/398223622.db2.gz YCIVKVGEPPCEAZ-AXFHLTTASA-N 2 0 244.383 0.752 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418397150 192032921 /nfs/dbraw/zinc/03/29/21/192032921.db2.gz BTDDFKAOPZVJSP-GARJFASQSA-N 2 0 242.367 0.540 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418373512 192029706 /nfs/dbraw/zinc/02/97/06/192029706.db2.gz BWVKAJWQEWUNRW-JTQLQIEISA-N 2 0 242.367 0.365 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418374372 192029970 /nfs/dbraw/zinc/02/99/70/192029970.db2.gz SKGJVQGCJNFDRU-SNVBAGLBSA-N 2 0 242.367 0.365 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418378120 192030290 /nfs/dbraw/zinc/03/02/90/192030290.db2.gz HSJHGLKQILNRDQ-MNOVXSKESA-N 2 0 242.367 0.411 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000418382412 192030515 /nfs/dbraw/zinc/03/05/15/192030515.db2.gz IQUOENMBTULGEW-GARJFASQSA-N 2 0 242.367 0.282 20 0 BCADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCN1CCCC1=O ZINC000430564857 398227540 /nfs/dbraw/zinc/22/75/40/398227540.db2.gz CWSIHZPGTXAPKX-GFCCVEGCSA-N 2 0 241.379 0.914 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418383881 192030970 /nfs/dbraw/zinc/03/09/70/192030970.db2.gz OGZXONGRCXUSIQ-QWRGUYRKSA-N 2 0 242.367 0.555 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@H](C)CC[NH3+] ZINC000418398534 192032874 /nfs/dbraw/zinc/03/28/74/192032874.db2.gz FMSVFSBNENTOIP-RKDXNWHRSA-N 2 0 216.329 0.006 20 0 BCADRP [NH3+]C[C@H](NC(=O)N[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000418387594 192031741 /nfs/dbraw/zinc/03/17/41/192031741.db2.gz RDBDRNPWZDUBKW-QWRGUYRKSA-N 2 0 240.351 0.165 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000418388172 192031952 /nfs/dbraw/zinc/03/19/52/192031952.db2.gz NAWMQXNFLFTMJR-JTQLQIEISA-N 2 0 242.367 0.235 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418395120 192032254 /nfs/dbraw/zinc/03/22/54/192032254.db2.gz GZNMNMGQDOLGGJ-MIMYLULJSA-N 2 0 240.351 0.021 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418394656 192032505 /nfs/dbraw/zinc/03/25/05/192032505.db2.gz YCIOTNVGFXKOIA-ONGXEEELSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000132956746 398229920 /nfs/dbraw/zinc/22/99/20/398229920.db2.gz NHOBNWLZICSKHF-MXWKQRLJSA-N 2 0 225.336 0.337 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418397636 192032719 /nfs/dbraw/zinc/03/27/19/192032719.db2.gz DIOWRPSODZVMDS-XHNCKOQMSA-N 2 0 216.329 0.005 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334184156 136223916 /nfs/dbraw/zinc/22/39/16/136223916.db2.gz FWXIDJDSZWLUBZ-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NCC[C@H](C)[NH3+] ZINC000418411207 192034126 /nfs/dbraw/zinc/03/41/26/192034126.db2.gz QCDQFGYEUBJPHT-IUCAKERBSA-N 2 0 216.329 0.006 20 0 BCADRP CN(CC[NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418414995 192034718 /nfs/dbraw/zinc/03/47/18/192034718.db2.gz SJPCTXBNQYLMOY-NXEZZACHSA-N 2 0 228.340 0.104 20 0 BCADRP CC(C)([NH3+])CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418413883 192034771 /nfs/dbraw/zinc/03/47/71/192034771.db2.gz KLUFATCIFGRCBR-BDAKNGLRSA-N 2 0 228.340 0.293 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418417391 192034911 /nfs/dbraw/zinc/03/49/11/192034911.db2.gz VEFFMIXJZQRSBR-BBBLOLIVSA-N 2 0 228.340 0.150 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H]([NH3+])C(C)C ZINC000418413077 192034609 /nfs/dbraw/zinc/03/46/09/192034609.db2.gz RQFMIGGENDLNES-QWRGUYRKSA-N 2 0 242.367 0.363 20 0 BCADRP C[C@@H]1CN(C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000334317552 136225299 /nfs/dbraw/zinc/22/52/99/136225299.db2.gz QPIRVTMACBGXHE-GHMZBOCLSA-N 2 0 225.336 0.243 20 0 BCADRP C[N@H+](CC(=O)NC[C@H]1CCC[NH+]1C)C1CCC1 ZINC000629952643 361797403 /nfs/dbraw/zinc/79/74/03/361797403.db2.gz PZLNEEOZSDRHEG-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N(C)C1CC([NH3+])C1 ZINC000418440906 192035873 /nfs/dbraw/zinc/03/58/73/192035873.db2.gz LHJYSCBBQVDLFG-YVNMAJEFSA-N 2 0 242.367 0.491 20 0 BCADRP C[NH2+]CCN(C)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418417745 192035383 /nfs/dbraw/zinc/03/53/83/192035383.db2.gz VNGGLUNGOFBHAB-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP C[NH+](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC000629943588 361788020 /nfs/dbraw/zinc/78/80/20/361788020.db2.gz QUBMEJBHTAQYCR-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N1CC[NH2+]CC1 ZINC000418437972 192035507 /nfs/dbraw/zinc/03/55/07/192035507.db2.gz DKKVRPTUXYYDGX-SNVBAGLBSA-N 2 0 228.340 0.119 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N(C)CC[NH2+]C ZINC000418436608 192035765 /nfs/dbraw/zinc/03/57/65/192035765.db2.gz JBAHFQLQUNIJNC-UHFFFAOYSA-N 2 0 230.356 0.365 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000418444790 192036321 /nfs/dbraw/zinc/03/63/21/192036321.db2.gz XALYTRHGVNJFRU-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000418441962 192036754 /nfs/dbraw/zinc/03/67/54/192036754.db2.gz SDQRONQZYJKQEQ-VIFPVBQESA-N 2 0 230.356 0.493 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCC[NH2+]CC1 ZINC000418443931 192036768 /nfs/dbraw/zinc/03/67/68/192036768.db2.gz LPCXSDPXTHQCFG-NSHDSACASA-N 2 0 242.367 0.509 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000576475406 365605340 /nfs/dbraw/zinc/60/53/40/365605340.db2.gz CXDOKPIRPDBRGQ-AGIUHOORSA-N 2 0 243.395 0.323 20 0 BCADRP C[C@@H](CC(C)(C)C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000576506891 365611722 /nfs/dbraw/zinc/61/17/22/365611722.db2.gz LLWCBKMBMABEDQ-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)N[C@H](C[NH3+])CC(C)C)C1 ZINC000418422647 192037472 /nfs/dbraw/zinc/03/74/72/192037472.db2.gz BCGKSLDGFZFLGF-MNOVXSKESA-N 2 0 242.367 0.363 20 0 BCADRP C[NH+](C)CCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418432355 192037553 /nfs/dbraw/zinc/03/75/53/192037553.db2.gz UFNJHTUDHDCPRH-QWRGUYRKSA-N 2 0 242.367 0.365 20 0 BCADRP CC(C)([NH3+])CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000381566644 398253982 /nfs/dbraw/zinc/25/39/82/398253982.db2.gz SXOBQCADLBHDQA-VIFPVBQESA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H](NC(=O)C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000517234600 259309674 /nfs/dbraw/zinc/30/96/74/259309674.db2.gz MFMWPOSKZPRQFJ-ZYHUDNBSSA-N 2 0 239.363 0.490 20 0 BCADRP CC[C@@H]1C[N@H+](CCOCC[NH3+])CC[C@H]1[NH3+] ZINC000381308674 398253271 /nfs/dbraw/zinc/25/32/71/398253271.db2.gz KSRCJIBGGUUIIQ-GHMZBOCLSA-N 3 0 215.341 0.021 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H](C)[NH+](C)C ZINC000381478813 398253736 /nfs/dbraw/zinc/25/37/36/398253736.db2.gz BNYLIENTFLISDC-BDAKNGLRSA-N 2 0 201.314 0.051 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000381422389 398253764 /nfs/dbraw/zinc/25/37/64/398253764.db2.gz XQPVAJJNTCCKNF-QJPTWQEYSA-N 2 0 209.337 0.280 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000381485722 398259478 /nfs/dbraw/zinc/25/94/78/398259478.db2.gz IGQNWLUSJGLDQN-UWVGGRQHSA-N 2 0 213.325 0.243 20 0 BCADRP CC[C@H]1CN(C(=O)CCC[NH3+])CC[C@@H]1[NH3+] ZINC000381494411 398257442 /nfs/dbraw/zinc/25/74/42/398257442.db2.gz ZOXSZIVZOHGLEM-UWVGGRQHSA-N 2 0 213.325 0.311 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC000036192248 398257471 /nfs/dbraw/zinc/25/74/71/398257471.db2.gz ZCAINIYBSGLVEA-GFCCVEGCSA-N 2 0 241.379 0.912 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000381498113 398257724 /nfs/dbraw/zinc/25/77/24/398257724.db2.gz BREJJZVKSRFEGK-MWLCHTKSSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000576705147 365664283 /nfs/dbraw/zinc/66/42/83/365664283.db2.gz RWWVGVVQIZCLHO-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP CC[NH2+]CCCNC(=O)CC1([NH3+])CCC1 ZINC000381481668 398259022 /nfs/dbraw/zinc/25/90/22/398259022.db2.gz SWVOVEYVLFEBPV-UHFFFAOYSA-N 2 0 213.325 0.374 20 0 BCADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H](C)C[NH3+] ZINC000418468343 192038258 /nfs/dbraw/zinc/03/82/58/192038258.db2.gz JAZWQWXXLRNMDG-NSHDSACASA-N 2 0 244.383 0.563 20 0 BCADRP [NH3+]C1(CC(=O)NC[C@H]2CCC[NH2+]2)CCC1 ZINC000381535871 398262516 /nfs/dbraw/zinc/26/25/16/398262516.db2.gz GTZIMWFALONJRW-SECBINFHSA-N 2 0 211.309 0.126 20 0 BCADRP COCC1(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000381522837 398259848 /nfs/dbraw/zinc/25/98/48/398259848.db2.gz VHEPZTIGUXEJHH-VXGBXAGGSA-N 2 0 224.348 0.954 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000378742204 346820968 /nfs/dbraw/zinc/82/09/68/346820968.db2.gz PWEXFNSXPPNUJN-ZYUZMQFOSA-N 2 0 213.325 0.356 20 0 BCADRP CCOC[C@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000381603471 398266450 /nfs/dbraw/zinc/26/64/50/398266450.db2.gz OVTDLFWDNXOODW-RYUDHWBXSA-N 2 0 212.337 0.954 20 0 BCADRP CC(C)([NH3+])CC(=O)NCC1CC[NH2+]CC1 ZINC000381604860 398266469 /nfs/dbraw/zinc/26/64/69/398266469.db2.gz IDWMHZFRHPJVSC-UHFFFAOYSA-N 2 0 213.325 0.230 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000417781418 398267613 /nfs/dbraw/zinc/26/76/13/398267613.db2.gz JSNBVSLUSBBJIE-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000417781421 398267764 /nfs/dbraw/zinc/26/77/64/398267764.db2.gz JSNBVSLUSBBJIE-ZJUUUORDSA-N 2 0 213.325 0.100 20 0 BCADRP COC[C@@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182963999 346828670 /nfs/dbraw/zinc/82/86/70/346828670.db2.gz NOKSZMHZIMYDEX-CYBMUJFWSA-N 2 0 243.395 0.591 20 0 BCADRP CS[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H]1[NH+](C)C ZINC000344738175 398270792 /nfs/dbraw/zinc/27/07/92/398270792.db2.gz LTWOOQMFHXLLIF-NXEZZACHSA-N 2 0 245.392 0.052 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000378785485 346832689 /nfs/dbraw/zinc/83/26/89/346832689.db2.gz LBGGOVJIBPQIML-UTLUCORTSA-N 2 0 213.325 0.086 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCC[NH2+]C ZINC000669529754 488178291 /nfs/dbraw/zinc/17/82/91/488178291.db2.gz AKMFOFRZJWSZCZ-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP CCC[NH2+]CCNC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000418487812 192041107 /nfs/dbraw/zinc/04/11/07/192041107.db2.gz JLTCEFSJLREPIM-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)C[NH3+] ZINC000669530122 488178846 /nfs/dbraw/zinc/17/88/46/488178846.db2.gz RCPUWSHRBXDPAH-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP CCC[NH2+]CCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000418488144 192041188 /nfs/dbraw/zinc/04/11/88/192041188.db2.gz KCALMEAKZRNUCR-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000418488335 192041196 /nfs/dbraw/zinc/04/11/96/192041196.db2.gz KUIYHSMAHOWKSL-NSHDSACASA-N 2 0 244.383 0.803 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418487148 192041228 /nfs/dbraw/zinc/04/12/28/192041228.db2.gz HVLSCSYOFYMVDR-RKDXNWHRSA-N 2 0 216.329 0.021 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418486254 192040749 /nfs/dbraw/zinc/04/07/49/192040749.db2.gz IDTVPZFBYPKPBI-ONGXEEELSA-N 2 0 242.367 0.398 20 0 BCADRP CCC[NH2+]CCNC(=O)N1CCC[C@H]1C[NH2+]C ZINC000418488087 192040852 /nfs/dbraw/zinc/04/08/52/192040852.db2.gz JLTCEFSJLREPIM-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP [NH3+][C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000418487558 192040898 /nfs/dbraw/zinc/04/08/98/192040898.db2.gz LOPSEMIQHXJKOY-OUAUKWLOSA-N 2 0 240.351 0.293 20 0 BCADRP CCC[NH2+]CCNC(=O)NC(C)(C)C[NH+](C)C ZINC000418485852 192041081 /nfs/dbraw/zinc/04/10/81/192041081.db2.gz DTMAPOJBVYTORW-UHFFFAOYSA-N 2 0 244.383 0.625 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H](C)C[NH3+] ZINC000418489747 192041378 /nfs/dbraw/zinc/04/13/78/192041378.db2.gz MDGFPVCHYKPEHU-GHMZBOCLSA-N 2 0 242.367 0.365 20 0 BCADRP CCC[NH2+]CCNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000418491391 192041615 /nfs/dbraw/zinc/04/16/15/192041615.db2.gz RVNOVTPXXDPEGL-MNOVXSKESA-N 2 0 242.367 0.365 20 0 BCADRP CCC[NH2+]CCNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000418492820 192041900 /nfs/dbraw/zinc/04/19/00/192041900.db2.gz WFIFSNLZPKNPDX-QWRGUYRKSA-N 2 0 242.367 0.365 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@H](C)C[NH3+] ZINC000418489748 192041939 /nfs/dbraw/zinc/04/19/39/192041939.db2.gz MDGFPVCHYKPEHU-MNOVXSKESA-N 2 0 242.367 0.365 20 0 BCADRP CCC[NH2+]CCNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000418493548 192042643 /nfs/dbraw/zinc/04/26/43/192042643.db2.gz YSHKHDJSAKCTOU-QWRGUYRKSA-N 2 0 242.367 0.378 20 0 BCADRP CCC[NH+]1CCC([NH2+]CCC(=O)N(C)C)CC1 ZINC000037751442 538963943 /nfs/dbraw/zinc/96/39/43/538963943.db2.gz YLLMPYUPHSOXMZ-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000165422724 361841105 /nfs/dbraw/zinc/84/11/05/361841105.db2.gz OFOAUTAFIAEXLA-RKDXNWHRSA-N 2 0 201.314 0.038 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000165607566 361843234 /nfs/dbraw/zinc/84/32/34/361843234.db2.gz IOQQXIDIMCSPAP-WDEREUQCSA-N 2 0 225.336 0.195 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[NH2+]CC2)cc1 ZINC000082653077 398277156 /nfs/dbraw/zinc/27/71/56/398277156.db2.gz YPUJPQFHQUXMAZ-GFCCVEGCSA-N 2 0 233.315 0.427 20 0 BCADRP CN(CCNC(N)=[NH2+])Cc1ccccc1 ZINC000002019307 342714476 /nfs/dbraw/zinc/71/44/76/342714476.db2.gz SDERWXCAJHTXAR-UHFFFAOYSA-N 2 0 206.293 0.601 20 0 BCADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000517742432 342746006 /nfs/dbraw/zinc/74/60/06/342746006.db2.gz DZAVOMHXKHOWIH-OUAUKWLOSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1C[NH2+]CCN1Cc1nc(C(C)(C)[NH3+])no1 ZINC000517743204 342746621 /nfs/dbraw/zinc/74/66/21/342746621.db2.gz RVKXJTAJSGOOPI-MRVPVSSYSA-N 2 0 239.323 0.057 20 0 BCADRP CC[C@H](C(=O)NCC1([NH2+]C)CCC1)[NH+](C)C ZINC000630002611 361889836 /nfs/dbraw/zinc/88/98/36/361889836.db2.gz XFMPJOYQKOQIPQ-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000418449362 192042898 /nfs/dbraw/zinc/04/28/98/192042898.db2.gz SVQSQIXQQNOWON-WDEREUQCSA-N 2 0 242.367 0.493 20 0 BCADRP C[C@@H](CNC(=O)N(C)CCC[NH3+])[N@H+](C)C1CC1 ZINC000580293107 346861365 /nfs/dbraw/zinc/86/13/65/346861365.db2.gz BOUTYLLSOYGPNZ-JTQLQIEISA-N 2 0 242.367 0.459 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000418450314 192043001 /nfs/dbraw/zinc/04/30/01/192043001.db2.gz TWJNSGCHIWHFDN-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000335437223 398287632 /nfs/dbraw/zinc/28/76/32/398287632.db2.gz OUSGXINHZYDCBK-QWRGUYRKSA-N 2 0 242.367 0.458 20 0 BCADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@H](C)C[NH3+] ZINC000418508333 192045055 /nfs/dbraw/zinc/04/50/55/192045055.db2.gz DPUFECLRWPZDSB-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH3+])C1 ZINC000335438630 398288227 /nfs/dbraw/zinc/28/82/27/398288227.db2.gz TUYJVEMXPNLSOC-QWRGUYRKSA-N 2 0 225.336 0.278 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC2CC[NH2+]CC2)C1 ZINC000335464111 398288809 /nfs/dbraw/zinc/28/88/09/398288809.db2.gz HSZHRBRNAHHVIQ-MWLCHTKSSA-N 2 0 225.336 0.243 20 0 BCADRP Cc1cc(NCC[N@@H+]2CC[C@H](O)C2)cc[nH+]1 ZINC000624774001 342827370 /nfs/dbraw/zinc/82/73/70/342827370.db2.gz MJQFWWKVBSWFGS-LBPRGKRZSA-N 2 0 221.304 0.290 20 0 BCADRP C[C@@H]1CN(C(=O)NCCC[NH3+])C[C@H](C)[N@H+]1C ZINC000335623716 136240305 /nfs/dbraw/zinc/24/03/05/136240305.db2.gz VUXPMPNLJCIHFO-AOOOYVTPSA-N 2 0 228.340 0.069 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000379894629 538980896 /nfs/dbraw/zinc/98/08/96/538980896.db2.gz BWGWBMQPQVPWEE-LLVKDONJSA-N 2 0 213.325 0.135 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)C[NH3+] ZINC000418516269 192046494 /nfs/dbraw/zinc/04/64/94/192046494.db2.gz RQHWVVAIJHCLTI-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP CC(C)(C)[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000380057201 538984451 /nfs/dbraw/zinc/98/44/51/538984451.db2.gz YOSFLACDYHDPMZ-GMTAPVOTSA-N 2 0 212.337 0.545 20 0 BCADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CSC1 ZINC000381488629 539002318 /nfs/dbraw/zinc/00/23/18/539002318.db2.gz WLQOGOKJUOHTJY-LLVKDONJSA-N 2 0 243.420 0.717 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCCn2cncn2)CC[N@@H+]1C ZINC000381756935 539007026 /nfs/dbraw/zinc/00/70/26/539007026.db2.gz GGWMMLGLFQDSCO-NEPJUHHUSA-N 2 0 237.351 0.741 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322380578 488182595 /nfs/dbraw/zinc/18/25/95/488182595.db2.gz MZLFWYLLTXOONB-QUDJTUOCSA-N 2 0 239.363 0.711 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000418516901 192046528 /nfs/dbraw/zinc/04/65/28/192046528.db2.gz UBGVYBXIVAXOBR-UTLUCORTSA-N 2 0 228.340 0.245 20 0 BCADRP C[NH+](C)CCN1CCC([NH2+]C2CSC2)CC1 ZINC000390434935 539021448 /nfs/dbraw/zinc/02/14/48/539021448.db2.gz BMKNQTNUKYCLKO-UHFFFAOYSA-N 2 0 243.420 0.717 20 0 BCADRP C[C@@H]1C[C@H](C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000390618664 539026598 /nfs/dbraw/zinc/02/65/98/539026598.db2.gz HRVZOCJCULIFPX-FDYHWXHSSA-N 2 0 224.348 0.953 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000037041721 398300183 /nfs/dbraw/zinc/30/01/83/398300183.db2.gz WKADYBDACUZWDS-NSHDSACASA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC1([NH3+])CCC1 ZINC000418529989 192048728 /nfs/dbraw/zinc/04/87/28/192048728.db2.gz VBZHRJMXKCNPLQ-VHSXEESVSA-N 2 0 240.351 0.165 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H](C)CC[NH3+] ZINC000418534944 192048913 /nfs/dbraw/zinc/04/89/13/192048913.db2.gz YKKQHIYSJCDXLL-WDEREUQCSA-N 2 0 244.383 0.739 20 0 BCADRP CCO[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000625096995 342852007 /nfs/dbraw/zinc/85/20/07/342852007.db2.gz IBHZEOMKLHLXTG-FRRDWIJNSA-N 2 0 224.348 0.953 20 0 BCADRP CCO[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000625096998 342852249 /nfs/dbraw/zinc/85/22/49/342852249.db2.gz IBHZEOMKLHLXTG-RWMBFGLXSA-N 2 0 224.348 0.953 20 0 BCADRP CC1(CNC(=O)CCCC[NH3+])CC[NH2+]CC1 ZINC000583993490 342853884 /nfs/dbraw/zinc/85/38/84/342853884.db2.gz HCSPQFGKGAOFMF-UHFFFAOYSA-N 2 0 227.352 0.621 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399170138 398304489 /nfs/dbraw/zinc/30/44/89/398304489.db2.gz GEJKISSCCHRLCJ-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC ZINC000309775079 342894686 /nfs/dbraw/zinc/89/46/86/342894686.db2.gz LLFCTMAUORXYPC-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C1CC[NH+](C)CC1 ZINC000236799771 398316763 /nfs/dbraw/zinc/31/67/63/398316763.db2.gz PHGCJHRLZJBWFF-CYBMUJFWSA-N 2 0 241.379 0.818 20 0 BCADRP Cc1nnc(CN(C)CCCn2ccnc2)n1C ZINC000162305539 349634027 /nfs/dbraw/zinc/63/40/27/349634027.db2.gz UGCABRMBMRAULT-UHFFFAOYSA-N 2 0 248.334 0.842 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)C[NH3+])C1 ZINC000418565504 192050910 /nfs/dbraw/zinc/05/09/10/192050910.db2.gz LMFJNJJPSXYXGV-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](C)C[NH3+] ZINC000418560946 192051013 /nfs/dbraw/zinc/05/10/13/192051013.db2.gz DPUFECLRWPZDSB-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418567848 192051611 /nfs/dbraw/zinc/05/16/11/192051611.db2.gz GSUCCLSWCNRXGJ-NXEZZACHSA-N 2 0 228.340 0.165 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418573424 192052124 /nfs/dbraw/zinc/05/21/24/192052124.db2.gz LICIZWCMXRVYIK-GMTAPVOTSA-N 2 0 242.367 0.411 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)C[NH3+] ZINC000418571335 192052374 /nfs/dbraw/zinc/05/23/74/192052374.db2.gz RQHWVVAIJHCLTI-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]1CN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000418579435 192052638 /nfs/dbraw/zinc/05/26/38/192052638.db2.gz JVQIDQZFSXVKSL-HBNTYKKESA-N 2 0 240.351 0.260 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC(C)(C)C[NH3+] ZINC000418586097 192053316 /nfs/dbraw/zinc/05/33/16/192053316.db2.gz ZHCQAMDYGQFCEV-RKDXNWHRSA-N 2 0 228.340 0.021 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000580310203 346889570 /nfs/dbraw/zinc/88/95/70/346889570.db2.gz AOWCZASLIIMBFP-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@@H](C)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000037482576 342937627 /nfs/dbraw/zinc/93/76/27/342937627.db2.gz QNJKWWFIGSFLLL-GFCCVEGCSA-N 2 0 213.369 0.870 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000037824290 398334712 /nfs/dbraw/zinc/33/47/12/398334712.db2.gz ORIIHXUTQIEWEE-RYUDHWBXSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000038089215 398335956 /nfs/dbraw/zinc/33/59/56/398335956.db2.gz QJTLHBCIAXWPKM-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000418609743 192055660 /nfs/dbraw/zinc/05/56/60/192055660.db2.gz DYJBSZSCBFKWFC-VIFPVBQESA-N 2 0 228.340 0.069 20 0 BCADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C[NH2+]C ZINC000019512518 342950634 /nfs/dbraw/zinc/95/06/34/342950634.db2.gz FKGPBGDKPOKRAV-LLVKDONJSA-N 2 0 229.368 0.833 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000580312932 346897188 /nfs/dbraw/zinc/89/71/88/346897188.db2.gz PBDNUUOFFOUJLK-VLEAKVRGSA-N 2 0 227.352 0.603 20 0 BCADRP CSC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000580314449 346897223 /nfs/dbraw/zinc/89/72/23/346897223.db2.gz SQMSBNYJMSNCSP-CMPLNLGQSA-N 2 0 244.404 0.784 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000040503550 346903552 /nfs/dbraw/zinc/90/35/52/346903552.db2.gz GHTHKXZUQYQZOI-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCCN2CCOCC2)C1 ZINC000351849743 136257901 /nfs/dbraw/zinc/25/79/01/136257901.db2.gz HAWZFJMUTOTTTH-STQMWFEESA-N 2 0 241.379 0.378 20 0 BCADRP CC(C)[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC000354155812 187210317 /nfs/dbraw/zinc/21/03/17/187210317.db2.gz REXGMIJNLXYTAR-GFCCVEGCSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC000354155813 187210666 /nfs/dbraw/zinc/21/06/66/187210666.db2.gz REXGMIJNLXYTAR-LBPRGKRZSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCCN2CCOCC2)C1 ZINC000351849742 136257524 /nfs/dbraw/zinc/25/75/24/136257524.db2.gz HAWZFJMUTOTTTH-QWHCGFSZSA-N 2 0 241.379 0.378 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H](C)C[NH2+]C ZINC000236776215 168416613 /nfs/dbraw/zinc/41/66/13/168416613.db2.gz DBQRFILXMAHBFV-VIFPVBQESA-N 2 0 215.341 0.476 20 0 BCADRP CO[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1OC ZINC000234852705 259340137 /nfs/dbraw/zinc/34/01/37/259340137.db2.gz CCDAAYUFQMJVBN-ZDEQEGDKSA-N 2 0 242.363 0.720 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)CC[C@@H](C)[NH3+] ZINC000309819565 343021728 /nfs/dbraw/zinc/02/17/28/343021728.db2.gz VZZUVPBMANJTHB-SNVBAGLBSA-N 2 0 215.341 0.618 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050463415 343022390 /nfs/dbraw/zinc/02/23/90/343022390.db2.gz DTKGWOUAULEVTC-MNOVXSKESA-N 2 0 227.352 0.380 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000368704029 187220615 /nfs/dbraw/zinc/22/06/15/187220615.db2.gz MTUYSEYHJLCXFH-LLVKDONJSA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000562809311 323031066 /nfs/dbraw/zinc/03/10/66/323031066.db2.gz MZXHFTUHYYJKHN-GHMZBOCLSA-N 2 0 227.352 0.489 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373044004 187223844 /nfs/dbraw/zinc/22/38/44/187223844.db2.gz RWVOHIQVKYIYEI-GRYCIOLGSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000309416887 259343428 /nfs/dbraw/zinc/34/34/28/259343428.db2.gz JIOCCLOXDXUSQF-KATARQTJSA-N 2 0 213.325 0.084 20 0 BCADRP C[C@]1(C(=O)NCC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000118962528 343063619 /nfs/dbraw/zinc/06/36/19/343063619.db2.gz PZJWCIQAPXQSLR-GFCCVEGCSA-N 2 0 225.336 0.244 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H](C)C[NH3+] ZINC000336658573 187231416 /nfs/dbraw/zinc/23/14/16/187231416.db2.gz IWVXKXVUUQWLHQ-KOLCDFICSA-N 2 0 215.341 0.461 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000082475134 362024740 /nfs/dbraw/zinc/02/47/40/362024740.db2.gz WQLDQTRPUZENCJ-JTQLQIEISA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)[C@H]([NH3+])c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000584882024 343083843 /nfs/dbraw/zinc/08/38/43/343083843.db2.gz XTYNVBBSKZURHJ-SCZZXKLOSA-N 2 0 209.297 0.468 20 0 BCADRP C[C@@H]1CN(C(=O)CC[NH2+]C2CC2)C[C@@H](C)[NH2+]1 ZINC000565218712 323034015 /nfs/dbraw/zinc/03/40/15/323034015.db2.gz RVVSBQYQESXDKL-NXEZZACHSA-N 2 0 225.336 0.337 20 0 BCADRP [NH3+][C@H]1CC=C(c2nc([C@H]3CCC[NH2+]3)no2)C1 ZINC000634557537 362048762 /nfs/dbraw/zinc/04/87/62/362048762.db2.gz ZIWRFROVIFGWFS-DTWKUNHWSA-N 2 0 220.276 0.999 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C1CC[NH2+]CC1 ZINC000236741837 343109468 /nfs/dbraw/zinc/10/94/68/343109468.db2.gz RDRRZHKUSHZWKC-UHFFFAOYSA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]CCNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000237049335 343121940 /nfs/dbraw/zinc/12/19/40/343121940.db2.gz VFHKAXNQPGJCKE-SNVBAGLBSA-N 2 0 227.352 0.348 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000237049559 343121984 /nfs/dbraw/zinc/12/19/84/343121984.db2.gz HMZYIDYEKRSSII-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]CCNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000237051362 343122033 /nfs/dbraw/zinc/12/20/33/343122033.db2.gz RHNPWMQOVAPTJV-QWRGUYRKSA-N 2 0 227.352 0.348 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000237046716 343122071 /nfs/dbraw/zinc/12/20/71/343122071.db2.gz KHQMXKDIPVLAJX-GFCCVEGCSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)([NH3+])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236793335 343111170 /nfs/dbraw/zinc/11/11/70/343111170.db2.gz GNBLAWMPSWBIBJ-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000049556992 343111581 /nfs/dbraw/zinc/11/15/81/343111581.db2.gz IORUFOHZFBJFKW-VXGBXAGGSA-N 2 0 240.351 0.174 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)OCCO ZINC000352495058 187233020 /nfs/dbraw/zinc/23/30/20/187233020.db2.gz IHAJKOKABQRDMJ-RYUDHWBXSA-N 2 0 244.379 0.704 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000092956420 343150290 /nfs/dbraw/zinc/15/02/90/343150290.db2.gz DRXAURSSEIQYSS-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000092951299 343149140 /nfs/dbraw/zinc/14/91/40/343149140.db2.gz JZOGJTBTDZLWDP-VXGBXAGGSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000237202629 343130825 /nfs/dbraw/zinc/13/08/25/343130825.db2.gz VNCAGELQLRYJFE-DGCLKSJQSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000237290048 343132095 /nfs/dbraw/zinc/13/20/95/343132095.db2.gz OTVQLBQILOKHLS-HBNTYKKESA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H](CC(=O)N1CC[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000237338082 343134856 /nfs/dbraw/zinc/13/48/56/343134856.db2.gz KLFTYWYAYAKFCW-SDDRHHMPSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H]([NH3+])C1)[C@@H]([NH3+])c1ccccc1 ZINC000237407936 343138195 /nfs/dbraw/zinc/13/81/95/343138195.db2.gz WFNAPAKLWLVHNH-CYZMBNFOSA-N 2 0 247.342 0.882 20 0 BCADRP Cn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nn1 ZINC000576944039 365728444 /nfs/dbraw/zinc/72/84/44/365728444.db2.gz QFPCEEPIBBXHGP-NEPJUHHUSA-N 2 0 249.362 0.637 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)CC[NH+]1CCCC1 ZINC000418690605 192061134 /nfs/dbraw/zinc/06/11/34/192061134.db2.gz CXPIMZZWKVLGPS-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H](C(=O)NCCC[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000131714357 343184553 /nfs/dbraw/zinc/18/45/53/343184553.db2.gz NRGAZYGDKLXEOP-PWSUYJOCSA-N 2 0 235.331 0.788 20 0 BCADRP C[C@H](CN1CCOCC1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000093211327 343151185 /nfs/dbraw/zinc/15/11/85/343151185.db2.gz VTAOTEQWIJLMCJ-AGIUHOORSA-N 2 0 241.379 0.567 20 0 BCADRP C[C@@H](NC(=O)C[NH2+]C1CC1)C(C)(C)C[NH+](C)C ZINC000237601743 343157742 /nfs/dbraw/zinc/15/77/42/343157742.db2.gz VHUHRRMDKKHXLG-SNVBAGLBSA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH2+]CCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000576965789 365735707 /nfs/dbraw/zinc/73/57/07/365735707.db2.gz WJJBUAMGCNRYTM-JTQLQIEISA-N 2 0 228.340 0.037 20 0 BCADRP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCOC1 ZINC000357038847 187243657 /nfs/dbraw/zinc/24/36/57/187243657.db2.gz ACXJBHZRHXXJBG-XQQFMLRXSA-N 2 0 224.348 0.954 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCN1CCOCC1 ZINC000133615191 343185617 /nfs/dbraw/zinc/18/56/17/343185617.db2.gz NBGRMQFBHCHYAC-NEPJUHHUSA-N 2 0 227.352 0.130 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000418693871 192061055 /nfs/dbraw/zinc/06/10/55/192061055.db2.gz HLSUUKZIHPZAMC-DCAQKATOSA-N 2 0 242.367 0.458 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[NH+]1CCCCCC1 ZINC000156740377 343198688 /nfs/dbraw/zinc/19/86/88/343198688.db2.gz KKXFUMLQMSVJDM-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH+]1CCC(CNC(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000156858183 343199418 /nfs/dbraw/zinc/19/94/18/343199418.db2.gz JJVPNEFXZCUFHU-MNOVXSKESA-N 2 0 241.379 0.818 20 0 BCADRP CN1CCN(C(=O)c2ccccc2)[C@H](C[NH3+])C1 ZINC000158238842 343200754 /nfs/dbraw/zinc/20/07/54/343200754.db2.gz MFBXDYROTPPGAR-GFCCVEGCSA-N 2 0 233.315 0.402 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000161081676 343203850 /nfs/dbraw/zinc/20/38/50/343203850.db2.gz IEZDGSFOMDCTSF-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C[NH+]1CCC(CCNC(=O)CCCC[NH3+])CC1 ZINC000167058099 343208502 /nfs/dbraw/zinc/20/85/02/343208502.db2.gz UTUNQFHGFWSSGH-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000237839398 343213458 /nfs/dbraw/zinc/21/34/58/343213458.db2.gz BNOGDVGPIXOONF-AAEUAGOBSA-N 2 0 245.326 0.433 20 0 BCADRP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000237824790 343213588 /nfs/dbraw/zinc/21/35/88/343213588.db2.gz LIMZRVDCFVABSK-DGCLKSJQSA-N 2 0 247.342 0.802 20 0 BCADRP [NH3+][C@@H](CNC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000237963473 343220685 /nfs/dbraw/zinc/22/06/85/343220685.db2.gz FDXULIYFYJGCEQ-ZDUSSCGKSA-N 2 0 247.342 0.802 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000237976373 343221101 /nfs/dbraw/zinc/22/11/01/343221101.db2.gz IZPTVFYBPMAXAW-GRYCIOLGSA-N 2 0 239.363 0.620 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000132462340 343188003 /nfs/dbraw/zinc/18/80/03/343188003.db2.gz PZRQJXBKXIDRCX-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)CC2([NH3+])CC2)C1 ZINC000398068502 488206862 /nfs/dbraw/zinc/20/68/62/488206862.db2.gz DYJLPMCXWOBVKP-LLVKDONJSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]CCN(C)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134569479 343194849 /nfs/dbraw/zinc/19/48/49/343194849.db2.gz BVHBZLLQMKBXIA-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP C[NH2+]CCCN(C)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134589038 343194945 /nfs/dbraw/zinc/19/49/45/343194945.db2.gz PDBILEACDLUVIX-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]C1)N1CCC[NH2+]CC1 ZINC000043588270 343225360 /nfs/dbraw/zinc/22/53/60/343225360.db2.gz GGJZWAXVZRGFBU-LBPRGKRZSA-N 2 0 239.363 0.588 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N(C)CCC[NH2+]C ZINC000087471787 136281584 /nfs/dbraw/zinc/28/15/84/136281584.db2.gz RRDBNGUAIGXKKJ-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418695543 192061527 /nfs/dbraw/zinc/06/15/27/192061527.db2.gz JMDNDCFUPMNIEP-GMTAPVOTSA-N 2 0 244.383 0.737 20 0 BCADRP Cn1nccc1CCN1CCC2(CC[NH2+]2)CC1 ZINC000634688073 343247145 /nfs/dbraw/zinc/24/71/45/343247145.db2.gz HJQYGSQMNPJPIF-UHFFFAOYSA-N 2 0 234.347 0.791 20 0 BCADRP C[C@H]1CC[C@H](CN2CC[C@@H](F)[C@H]([NH3+])C2)O1 ZINC000634688506 343248150 /nfs/dbraw/zinc/24/81/50/343248150.db2.gz UYZJLMXDHRAYQW-LNFKQOIKSA-N 2 0 216.300 0.925 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000634688589 343249090 /nfs/dbraw/zinc/24/90/90/343249090.db2.gz XAZAZEZELMXZQU-VXGBXAGGSA-N 2 0 230.352 0.722 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000121195029 343265055 /nfs/dbraw/zinc/26/50/55/343265055.db2.gz IGGBFTFJUKIKGE-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP CC[N@@H+]1CC[C@H](C[NH2+]CC2(C)COC2)C1 ZINC000070616954 343334054 /nfs/dbraw/zinc/33/40/54/343334054.db2.gz ZRTGNIQWHZNXLW-LLVKDONJSA-N 2 0 212.337 0.954 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000335619754 136296849 /nfs/dbraw/zinc/29/68/49/136296849.db2.gz SJHXIKQXDUKOTC-QWRGUYRKSA-N 2 0 242.367 0.330 20 0 BCADRP CC[N@@H+]1CC[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000070616955 343334308 /nfs/dbraw/zinc/33/43/08/343334308.db2.gz ZRTGNIQWHZNXLW-NSHDSACASA-N 2 0 212.337 0.954 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC[N@H+](C)C1CC1 ZINC000069840279 343292765 /nfs/dbraw/zinc/29/27/65/343292765.db2.gz WCJPFNHLONEAKM-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)NCC(C)(C)[NH3+] ZINC000335285589 136292910 /nfs/dbraw/zinc/29/29/10/136292910.db2.gz MOAWKLNDWUCICO-JTQLQIEISA-N 2 0 242.367 0.459 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335632165 136300074 /nfs/dbraw/zinc/30/00/74/136300074.db2.gz SZRKVDHGMIOFJL-SNVBAGLBSA-N 2 0 239.363 0.714 20 0 BCADRP O=C([C@@H]1CCCC[NH2+]1)N1CCC2(CC[NH2+]2)CC1 ZINC000335629754 136300171 /nfs/dbraw/zinc/30/01/71/136300171.db2.gz BSFVRXDGDRXDQQ-NSHDSACASA-N 2 0 237.347 0.483 20 0 BCADRP Cn1cc(CN[C@@H]2CCCC[NH2+]C2)cn1 ZINC000335641515 136308542 /nfs/dbraw/zinc/30/85/42/136308542.db2.gz GYLDATZXVRTZNE-LLVKDONJSA-N 2 0 208.309 0.652 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1CC12CC[NH2+]CC2 ZINC000335666021 136311060 /nfs/dbraw/zinc/31/10/60/136311060.db2.gz SUEMIFJLWRPNFW-MNOVXSKESA-N 2 0 237.347 0.244 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000335661426 136314868 /nfs/dbraw/zinc/31/48/68/136314868.db2.gz DELMKURPCDPDAO-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP COCCOCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166230929 136315723 /nfs/dbraw/zinc/31/57/23/136315723.db2.gz YHYUMLOTWXLBHV-GHMZBOCLSA-N 2 0 216.325 0.319 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCN(C3CC3)CC2)C1 ZINC000335665412 136316446 /nfs/dbraw/zinc/31/64/46/136316446.db2.gz ZBWHMTIMGYZCKI-LLVKDONJSA-N 2 0 237.347 0.245 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000349084889 136322746 /nfs/dbraw/zinc/32/27/46/136322746.db2.gz ZKFCCEJRKDYNNV-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC ZINC000349142047 136324191 /nfs/dbraw/zinc/32/41/91/136324191.db2.gz HBPLAUKHQHMWIM-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+](C)C ZINC000040855263 343409990 /nfs/dbraw/zinc/40/99/90/343409990.db2.gz UGELWVNHPHLYMP-JTQLQIEISA-N 2 0 235.331 0.712 20 0 BCADRP CCOC(=O)[C@@H]1CCCCN1CCC[NH3+] ZINC000034623188 136319603 /nfs/dbraw/zinc/31/96/03/136319603.db2.gz YTFYFWODGCAORH-JTQLQIEISA-N 2 0 214.309 0.753 20 0 BCADRP CC(C)[C@@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000166322352 136344494 /nfs/dbraw/zinc/34/44/94/136344494.db2.gz HVYSWSRDPVGHDG-LLVKDONJSA-N 2 0 200.326 0.940 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000335720859 136345803 /nfs/dbraw/zinc/34/58/03/136345803.db2.gz DEWUTTARSTVUEB-RKDXNWHRSA-N 2 0 237.303 0.738 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000335727802 136347748 /nfs/dbraw/zinc/34/77/48/136347748.db2.gz UGDJQGDOTCWAOG-QWHCGFSZSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H](CNC(=O)CCC[NH3+])[NH+]1CCC(C)CC1 ZINC000166340536 136352192 /nfs/dbraw/zinc/35/21/92/136352192.db2.gz QLSYXRVRDSGSRF-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418704999 192062995 /nfs/dbraw/zinc/06/29/95/192062995.db2.gz DJPUOEVLNQUYSF-MNOVXSKESA-N 2 0 242.367 0.555 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000335718448 136340400 /nfs/dbraw/zinc/34/04/00/136340400.db2.gz JTWXPUXKMXZDHF-NWDGAFQWSA-N 2 0 239.363 0.537 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC)C[C@H]1C ZINC000310486446 343509588 /nfs/dbraw/zinc/50/95/88/343509588.db2.gz DZZIUBSZTOJVJC-FRRDWIJNSA-N 2 0 244.379 0.798 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000570089722 323049431 /nfs/dbraw/zinc/04/94/31/323049431.db2.gz WRMMHKMDZYZVHM-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC[NH3+])cc1 ZINC000580561750 365766161 /nfs/dbraw/zinc/76/61/61/365766161.db2.gz TZJOABFDPMDYCR-MRVPVSSYSA-N 2 0 207.277 0.395 20 0 BCADRP CC[C@@H](C(=O)N(C)CC1C[NH+](C)C1)[NH+](C)C ZINC000618192399 343583982 /nfs/dbraw/zinc/58/39/82/343583982.db2.gz MGLMSWUGFZDQDN-NSHDSACASA-N 2 0 227.352 0.347 20 0 BCADRP CCC[NH+]1CCC([NH2+][C@@H]2CCOC[C@H]2O)CC1 ZINC000624235784 343579158 /nfs/dbraw/zinc/57/91/58/343579158.db2.gz PJYTYIYDBWAWDH-CHWSQXEVSA-N 2 0 242.363 0.600 20 0 BCADRP CN(CC1C[NH+](C)C1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000618193845 343603269 /nfs/dbraw/zinc/60/32/69/343603269.db2.gz GPNXUJYHSTXJHD-LLVKDONJSA-N 2 0 225.336 0.101 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC(CC[NH3+])CC1 ZINC000580577556 365789401 /nfs/dbraw/zinc/78/94/01/365789401.db2.gz CWOCGBKHOBEYEC-JTQLQIEISA-N 2 0 227.352 0.429 20 0 BCADRP CC[C@H](C(=O)OC)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000379944400 343658591 /nfs/dbraw/zinc/65/85/91/343658591.db2.gz QDESUNRMEHMVLW-OPRDCNLKSA-N 2 0 212.293 0.089 20 0 BCADRP CC[C@H](C(=O)OC)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000379944398 343658672 /nfs/dbraw/zinc/65/86/72/343658672.db2.gz QDESUNRMEHMVLW-LPEHRKFASA-N 2 0 212.293 0.089 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000577054748 365796721 /nfs/dbraw/zinc/79/67/21/365796721.db2.gz JCAKOZPROOMONX-DDHJBXDOSA-N 2 0 239.363 0.476 20 0 BCADRP CN(CCC[NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000557213118 343669186 /nfs/dbraw/zinc/66/91/86/343669186.db2.gz DMSUARUJISHETQ-UHFFFAOYSA-N 2 0 242.367 0.638 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000584112627 343697531 /nfs/dbraw/zinc/69/75/31/343697531.db2.gz ZLKIKIFVYWOVSD-GARJFASQSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CC[NH2+]C1CC1 ZINC000576052157 343701009 /nfs/dbraw/zinc/70/10/09/343701009.db2.gz CBSIVIPFHYENCC-KOLCDFICSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)C[NH2+]C1CC1 ZINC000153911326 343706323 /nfs/dbraw/zinc/70/63/23/343706323.db2.gz DHQWNNHXLSASAE-NXEZZACHSA-N 2 0 211.309 0.125 20 0 BCADRP CCCN(C(=O)N[C@H](C)[C@H](C)[NH3+])[C@@H]1CC[NH2+]C1 ZINC000418716974 192063920 /nfs/dbraw/zinc/06/39/20/192063920.db2.gz ZZJMJSOGJBZXMD-HBNTYKKESA-N 2 0 242.367 0.506 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000418726514 192064723 /nfs/dbraw/zinc/06/47/23/192064723.db2.gz LRDDRSBCFGQRQB-MNOVXSKESA-N 2 0 244.383 0.739 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418726500 192064807 /nfs/dbraw/zinc/06/48/07/192064807.db2.gz LPAPJYPDOZCDOO-GARJFASQSA-N 2 0 242.367 0.540 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C[NH2+]C1CC1 ZINC000154647146 343730544 /nfs/dbraw/zinc/73/05/44/343730544.db2.gz PFSYGRSLUYRXRX-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000309248612 187272454 /nfs/dbraw/zinc/27/24/54/187272454.db2.gz DDWXWPRDGBSVKS-BDAKNGLRSA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000584182633 343770894 /nfs/dbraw/zinc/77/08/94/343770894.db2.gz HDXINIZEBLBCIF-IJLUTSLNSA-N 2 0 211.353 0.988 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000584231361 343776452 /nfs/dbraw/zinc/77/64/52/343776452.db2.gz PUPZVMAHCUCOCG-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000576508662 343752285 /nfs/dbraw/zinc/75/22/85/343752285.db2.gz QTAACFJSWTWMIS-GRYCIOLGSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)NCC[C@H](C)[NH3+] ZINC000621702073 343754885 /nfs/dbraw/zinc/75/48/85/343754885.db2.gz DOUIXSBHBRIBLP-QWRGUYRKSA-N 2 0 229.368 0.851 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000621702343 343755051 /nfs/dbraw/zinc/75/50/51/343755051.db2.gz RNZXWLQXKQQWDL-VIFPVBQESA-N 2 0 233.315 0.757 20 0 BCADRP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418731490 192065395 /nfs/dbraw/zinc/06/53/95/192065395.db2.gz SVYONPPIHKTRAJ-QWRGUYRKSA-N 2 0 244.383 0.704 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000178735924 346964600 /nfs/dbraw/zinc/96/46/00/346964600.db2.gz MUGONMNJIRCCPC-WDEREUQCSA-N 2 0 225.336 0.420 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000418727627 192065498 /nfs/dbraw/zinc/06/54/98/192065498.db2.gz MNIRVVMTOYMCAC-NSHDSACASA-N 2 0 240.351 0.285 20 0 BCADRP C[C@](C[NH3+])(NC(=O)c1coc(C[NH3+])c1)C1CC1 ZINC000570451689 323060072 /nfs/dbraw/zinc/06/00/72/323060072.db2.gz XZFLFSXTEQUMDT-GFCCVEGCSA-N 2 0 237.303 0.596 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC000594869857 537826337 /nfs/dbraw/zinc/82/63/37/537826337.db2.gz ARCMPHYGUZWYND-NEPJUHHUSA-N 2 0 239.363 0.396 20 0 BCADRP CCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CCO ZINC000381044637 343886383 /nfs/dbraw/zinc/88/63/83/343886383.db2.gz GVCPYUCEAUAMPV-VXGBXAGGSA-N 2 0 230.352 0.146 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044752377 187354297 /nfs/dbraw/zinc/35/42/97/187354297.db2.gz JEJHJKADJAQLKB-VIFPVBQESA-N 2 0 225.336 0.324 20 0 BCADRP CSC[C@H](O)C[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000570564461 323063137 /nfs/dbraw/zinc/06/31/37/323063137.db2.gz QWZOALKHLXBNGC-IJLUTSLNSA-N 2 0 244.404 0.927 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000042491214 187354410 /nfs/dbraw/zinc/35/44/10/187354410.db2.gz KBFOHTCBBUPKIO-GFCCVEGCSA-N 2 0 223.364 0.766 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H](CC[NH3+])C(F)F ZINC000577061583 365799530 /nfs/dbraw/zinc/79/95/30/365799530.db2.gz XXGXTGDQLRXMKR-NKWVEPMBSA-N 2 0 223.267 0.213 20 0 BCADRP [NH3+][C@@]12CCC[C@@H]1CN(CCn1cccn1)C2 ZINC000621781187 343906062 /nfs/dbraw/zinc/90/60/62/343906062.db2.gz ABDYVGAYGXDSJA-VXGBXAGGSA-N 2 0 220.320 0.696 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000577191857 343913088 /nfs/dbraw/zinc/91/30/88/343913088.db2.gz YSNGLXWPCXOCEE-JTQLQIEISA-N 2 0 239.363 0.585 20 0 BCADRP COCCN(C)C[C@H](O)C[N@H+](C)C1CCC1 ZINC000381100274 343973581 /nfs/dbraw/zinc/97/35/81/343973581.db2.gz XPVHQVRYHBLQDB-LBPRGKRZSA-N 2 0 230.352 0.410 20 0 BCADRP C[C@H]1CN(C(=O)C2([NH3+])CCCC2)CC[C@H]1[NH3+] ZINC000335892306 344044868 /nfs/dbraw/zinc/04/48/68/344044868.db2.gz CLYKYTMNVYXLMZ-VHSXEESVSA-N 2 0 225.336 0.454 20 0 BCADRP CC[NH2+]Cc1cn(CC2CC[NH2+]CC2)nn1 ZINC000641233814 362286258 /nfs/dbraw/zinc/28/62/58/362286258.db2.gz ZZSAGEDGEVTUFC-UHFFFAOYSA-N 2 0 223.324 0.387 20 0 BCADRP O=C(C[NH2+]CC1CC1)NC[C@H]1CCC[NH2+]C1 ZINC000130010854 344102955 /nfs/dbraw/zinc/10/29/55/344102955.db2.gz LWOFHOKXSNPATF-NSHDSACASA-N 2 0 225.336 0.102 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)NC[C@@H]1CCC[NH2+]C1 ZINC000130141065 344118381 /nfs/dbraw/zinc/11/83/81/344118381.db2.gz UIXSUBZXCHVIPH-GHMZBOCLSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000641285338 362346186 /nfs/dbraw/zinc/34/61/86/362346186.db2.gz SLUOAGLUAHRJHG-WPRPVWTQSA-N 2 0 228.340 0.150 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000570695146 323067562 /nfs/dbraw/zinc/06/75/62/323067562.db2.gz VPFKMVRFDFXOIX-PWSUYJOCSA-N 2 0 235.331 0.410 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634744127 344165320 /nfs/dbraw/zinc/16/53/20/344165320.db2.gz OEGBFHSZHDGHJQ-RTXFEEFZSA-N 2 0 239.363 0.428 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000130373568 344134453 /nfs/dbraw/zinc/13/44/53/344134453.db2.gz FNCZECHNNCEUPC-ZJUUUORDSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000156510046 344140721 /nfs/dbraw/zinc/14/07/21/344140721.db2.gz QEWQMEOCXIVSER-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000130509676 344143577 /nfs/dbraw/zinc/14/35/77/344143577.db2.gz LUXVWMSKEUONJL-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000129081630 344209894 /nfs/dbraw/zinc/20/98/94/344209894.db2.gz LYLHBVVHOGXLDZ-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000130463689 344222106 /nfs/dbraw/zinc/22/21/06/344222106.db2.gz BHULJQABRSTKKV-PSASIEDQSA-N 2 0 213.325 0.323 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2CC[NH2+]C2)CCCCC1 ZINC000131675653 344234274 /nfs/dbraw/zinc/23/42/74/344234274.db2.gz BTDWZRIQZOIWCJ-SECBINFHSA-N 2 0 211.309 0.126 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752453 344203586 /nfs/dbraw/zinc/20/35/86/344203586.db2.gz LZJZIXHUZJUCHB-QWRGUYRKSA-N 2 0 241.379 0.864 20 0 BCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)CC[NH3+])C1 ZINC000634752502 344203621 /nfs/dbraw/zinc/20/36/21/344203621.db2.gz NCTJVUOCCMMDLO-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)C2([NH3+])CC2)C1 ZINC000634752546 344204801 /nfs/dbraw/zinc/20/48/01/344204801.db2.gz OCANSEVCARVEFY-SECBINFHSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752816 344205501 /nfs/dbraw/zinc/20/55/01/344205501.db2.gz STWKFZLMZUFQAL-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@H](C)[NH3+] ZINC000634761610 344252397 /nfs/dbraw/zinc/25/23/97/344252397.db2.gz FOLAMFMPLYEXSC-OUAUKWLOSA-N 2 0 241.379 0.864 20 0 BCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000634761866 344253511 /nfs/dbraw/zinc/25/35/11/344253511.db2.gz KWYFCXNDRXBKKE-VHSXEESVSA-N 2 0 225.336 0.243 20 0 BCADRP COCCN(C)C[C@@H](O)C[NH+]1CCCCC1 ZINC000309364193 347042024 /nfs/dbraw/zinc/04/20/24/347042024.db2.gz DLFHKBSLGUPHEM-GFCCVEGCSA-N 2 0 230.352 0.411 20 0 BCADRP C[NH2+]CCCC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634765235 344276098 /nfs/dbraw/zinc/27/60/98/344276098.db2.gz NAMMADXFSKKLFG-PWSUYJOCSA-N 2 0 225.336 0.244 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634765388 344276667 /nfs/dbraw/zinc/27/66/67/344276667.db2.gz QYTLKOQGXNHYSG-MDZLAQPJSA-N 2 0 237.347 0.387 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000634765613 344276668 /nfs/dbraw/zinc/27/66/68/344276668.db2.gz XHTHNPUIUYGZMR-WGBDABJCSA-N 2 0 237.347 0.372 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634765487 344276686 /nfs/dbraw/zinc/27/66/86/344276686.db2.gz USGZIQPTWQSZSD-YPMHNXCESA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768539 344280312 /nfs/dbraw/zinc/28/03/12/344280312.db2.gz OBOCRWHFQBNBFV-UZWSLXQKSA-N 2 0 237.347 0.100 20 0 BCADRP [NH3+]CC1(CC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000634769032 344282299 /nfs/dbraw/zinc/28/22/99/344282299.db2.gz JSAZGXZKGXUHQU-MFKMUULPSA-N 2 0 237.347 0.374 20 0 BCADRP O=C(NCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000131606670 344313312 /nfs/dbraw/zinc/31/33/12/344313312.db2.gz MWJFWSOUABAHGI-LLVKDONJSA-N 2 0 225.336 0.102 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000131628172 344314846 /nfs/dbraw/zinc/31/48/46/344314846.db2.gz HRIKTGCMUZAKRR-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]CC1CCN(C(=O)CC[NH2+]C(C)C)CC1 ZINC000131833663 344334878 /nfs/dbraw/zinc/33/48/78/344334878.db2.gz LUWGVEMTFJWYSW-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[NH2+][C@H](C)C1 ZINC000131880082 344356181 /nfs/dbraw/zinc/35/61/81/344356181.db2.gz ACWGVECVFMNKJD-SNVBAGLBSA-N 2 0 213.325 0.195 20 0 BCADRP COC(=O)CCCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000600709055 344361103 /nfs/dbraw/zinc/36/11/03/344361103.db2.gz NXFOCDQSEJAQLA-MNOVXSKESA-N 2 0 228.336 0.999 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@@H](O)CN(C)CC)C[C@H]1O ZINC000400090025 344302093 /nfs/dbraw/zinc/30/20/93/344302093.db2.gz SXZRDAQWMMZPGU-GRYCIOLGSA-N 2 0 230.352 0.002 20 0 BCADRP C[C@@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000132465890 344302787 /nfs/dbraw/zinc/30/27/87/344302787.db2.gz VYZOMKQLDFAXDU-YEJSDXFRSA-N 2 0 212.337 0.972 20 0 BCADRP C[C@@H](O)[C@H](C)[NH2+][C@@H](C)C1=CC[N@H+](C)CC1 ZINC000584287442 344421284 /nfs/dbraw/zinc/42/12/84/344421284.db2.gz KSTCZAMLCOUTKU-GARJFASQSA-N 2 0 212.337 0.996 20 0 BCADRP C[C@H](O)[C@H](C)[NH2+][C@@H](C)C1=CC[N@H+](C)CC1 ZINC000584287441 344421633 /nfs/dbraw/zinc/42/16/33/344421633.db2.gz KSTCZAMLCOUTKU-DCAQKATOSA-N 2 0 212.337 0.996 20 0 BCADRP Cc1cc(C)n(CCN2C[C@H]([NH3+])C[C@H]2C)n1 ZINC000385208773 344376250 /nfs/dbraw/zinc/37/62/50/344376250.db2.gz CZKPFHGVXSCNHT-ZYHUDNBSSA-N 2 0 222.336 0.921 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000062116512 133520222 /nfs/dbraw/zinc/52/02/22/133520222.db2.gz AYISSJCDFTXNOJ-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH3+] ZINC000236824883 344406770 /nfs/dbraw/zinc/40/67/70/344406770.db2.gz HIUDLVAMUBRFBU-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP C[N@H+](C[C@@H](O)C[NH3+])CC1CCCCC1 ZINC000042492699 344455185 /nfs/dbraw/zinc/45/51/85/344455185.db2.gz RZHZBNNOUGMLQL-NSHDSACASA-N 2 0 200.326 0.818 20 0 BCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C1([NH3+])CC1 ZINC000236909862 344455263 /nfs/dbraw/zinc/45/52/63/344455263.db2.gz SYUQBVVIFZDXEF-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCC[NH2+]1 ZINC000036999034 344485299 /nfs/dbraw/zinc/48/52/99/344485299.db2.gz QQWSFKHPAOXHMA-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH+]1CCC(NC(=O)C2([NH3+])CCCCC2)CC1 ZINC000037267538 344496920 /nfs/dbraw/zinc/49/69/20/344496920.db2.gz YFUBBVUSRMDBQU-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000037267599 344497027 /nfs/dbraw/zinc/49/70/27/344497027.db2.gz JYRUSPZIWKGJTC-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH2+]C ZINC000037477585 344508958 /nfs/dbraw/zinc/50/89/58/344508958.db2.gz NNJDFEGUYJDFCK-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]CCCC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000381513734 344515334 /nfs/dbraw/zinc/51/53/34/344515334.db2.gz YYEPVKOTIANIEP-JTQLQIEISA-N 2 0 213.325 0.102 20 0 BCADRP CN(C)C(=O)C[N@H+](C)CC1CC[NH2+]CC1 ZINC000043497637 344521878 /nfs/dbraw/zinc/52/18/78/344521878.db2.gz RJGFPRCXKREKIO-UHFFFAOYSA-N 2 0 213.325 0.006 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](C)[NH3+])C1 ZINC000641413890 362404299 /nfs/dbraw/zinc/40/42/99/362404299.db2.gz RGELIHCOVWGYMT-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](C)[NH3+])C1 ZINC000641413888 362404599 /nfs/dbraw/zinc/40/45/99/362404599.db2.gz RGELIHCOVWGYMT-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494542466 529989185 /nfs/dbraw/zinc/98/91/85/529989185.db2.gz ODBQIGUEEJBVEO-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000494542464 529989191 /nfs/dbraw/zinc/98/91/91/529989191.db2.gz ODBQIGUEEJBVEO-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP CC[NH+](CC)CCNC(=O)C(C)(C)C[NH3+] ZINC000044751072 344545472 /nfs/dbraw/zinc/54/54/72/344545472.db2.gz BIIBPHBMQXGIFR-UHFFFAOYSA-N 2 0 215.341 0.429 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H](C)C[NH3+] ZINC000044793417 344547779 /nfs/dbraw/zinc/54/77/79/344547779.db2.gz SEMOTXAVBYRBQO-SECBINFHSA-N 2 0 201.314 0.039 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC000044808397 344548380 /nfs/dbraw/zinc/54/83/80/344548380.db2.gz XLDXKHOKZPVDEY-VIFPVBQESA-N 2 0 213.325 0.039 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC000044808398 344548633 /nfs/dbraw/zinc/54/86/33/344548633.db2.gz XLDXKHOKZPVDEY-SECBINFHSA-N 2 0 213.325 0.039 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)CC(C)(C)C ZINC000045074005 344556164 /nfs/dbraw/zinc/55/61/64/344556164.db2.gz GHFLBUDBOWZBOM-UHFFFAOYSA-N 2 0 213.369 0.870 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000641442897 362420695 /nfs/dbraw/zinc/42/06/95/362420695.db2.gz RPICKNBRUHIXEK-LLVKDONJSA-N 2 0 242.367 0.317 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000641443351 362420836 /nfs/dbraw/zinc/42/08/36/362420836.db2.gz TWKCHOCZTDJTDW-JTQLQIEISA-N 2 0 240.351 0.071 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)NC[C@H](C)[NH3+])CC1 ZINC000641442898 362421133 /nfs/dbraw/zinc/42/11/33/362421133.db2.gz RPICKNBRUHIXEK-NSHDSACASA-N 2 0 242.367 0.317 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000037812666 344591357 /nfs/dbraw/zinc/59/13/57/344591357.db2.gz SAPWXHXLXSFANE-LBPRGKRZSA-N 2 0 237.347 0.293 20 0 BCADRP C[C@@H]1CN(CC[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)CCO1 ZINC000573966911 344578907 /nfs/dbraw/zinc/57/89/07/344578907.db2.gz AHBBVKDOHBXBGF-UPJWGTAASA-N 2 0 241.379 0.376 20 0 BCADRP CC(C)[C@H]1CN(C(=O)NC[C@H](C)[NH3+])CC[N@@H+]1C ZINC000641474811 362442624 /nfs/dbraw/zinc/44/26/24/362442624.db2.gz LZAPWGUWYHTRNI-WDEREUQCSA-N 2 0 242.367 0.315 20 0 BCADRP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000641423419 362408159 /nfs/dbraw/zinc/40/81/59/362408159.db2.gz ASYCGBOIHNKMBE-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP O=C([C@H]1CCCC[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158293238 344584031 /nfs/dbraw/zinc/58/40/31/344584031.db2.gz FXTIJLIZAXIONC-YPMHNXCESA-N 2 0 237.347 0.341 20 0 BCADRP C[C@]1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000158293533 344584261 /nfs/dbraw/zinc/58/42/61/344584261.db2.gz DDLZDYGBLCKQOR-STQMWFEESA-N 2 0 237.347 0.198 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](C)[NH3+] ZINC000641427469 362411720 /nfs/dbraw/zinc/41/17/20/362411720.db2.gz ZOOHFCWZSYFQJU-NXEZZACHSA-N 2 0 228.340 0.069 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H](C)[NH3+] ZINC000641426147 362412511 /nfs/dbraw/zinc/41/25/11/362412511.db2.gz SBRROGFKVGKDIV-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237067675 344588754 /nfs/dbraw/zinc/58/87/54/344588754.db2.gz HFQKJMFNCBEQRD-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000641494684 362460637 /nfs/dbraw/zinc/46/06/37/362460637.db2.gz XJXMVMPUMVTISE-SNVBAGLBSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H]1C[C@H](NC(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000577867797 344639641 /nfs/dbraw/zinc/63/96/41/344639641.db2.gz ADMLFSCBNCVFTH-AXFHLTTASA-N 2 0 240.351 0.130 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000309460465 347068083 /nfs/dbraw/zinc/06/80/83/347068083.db2.gz ORNQCKSMJIAVOY-DKCNOQQISA-N 2 0 213.325 0.213 20 0 BCADRP CN(C[C@@H](O)C[N@H+](C)C[C@H]1C[C@@H](O)C1)C1CC1 ZINC000626046478 344697047 /nfs/dbraw/zinc/69/70/47/344697047.db2.gz DXXFBCYHSSCZNP-UHTWSYAYSA-N 2 0 242.363 0.144 20 0 BCADRP C[NH+](C)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000211705288 344758816 /nfs/dbraw/zinc/75/88/16/344758816.db2.gz AMQKILZDRJETKP-NSHDSACASA-N 2 0 200.326 0.785 20 0 BCADRP C[C@@H](CNC(=O)NCC[NH+](C)C)[N@H+](C)C1CC1 ZINC000133621953 344770689 /nfs/dbraw/zinc/77/06/89/344770689.db2.gz VVAXUYHAKMTTDK-JTQLQIEISA-N 2 0 242.367 0.330 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]CC[C@H]2CCOC2)CC1 ZINC000400641653 530050854 /nfs/dbraw/zinc/05/08/54/530050854.db2.gz QCFUIYNLIGIHLU-LBPRGKRZSA-N 2 0 242.363 0.459 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000309461510 347070550 /nfs/dbraw/zinc/07/05/50/347070550.db2.gz OZHVSQNJXWEIDL-JTQLQIEISA-N 2 0 215.341 0.476 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[NH2+]1 ZINC000309469517 347071226 /nfs/dbraw/zinc/07/12/26/347071226.db2.gz QSCJKAGSYIFVQS-UWVGGRQHSA-N 2 0 213.325 0.372 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000309476243 347074399 /nfs/dbraw/zinc/07/43/99/347074399.db2.gz RZZJCPBJSNTSKQ-SNVBAGLBSA-N 2 0 213.325 0.324 20 0 BCADRP CN(CCOCCO)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860321 344785987 /nfs/dbraw/zinc/78/59/87/344785987.db2.gz CJGDQQZYNVFYQC-ZDUSSCGKSA-N 2 0 244.379 0.802 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]C2CCCC2)CC1 ZINC000077450053 344824216 /nfs/dbraw/zinc/82/42/16/344824216.db2.gz XCNJCGALOCJTJR-UHFFFAOYSA-N 2 0 212.337 0.975 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000583382211 344858954 /nfs/dbraw/zinc/85/89/54/344858954.db2.gz PFTPNOGAMRYMJE-MDZLAQPJSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000574520149 344884427 /nfs/dbraw/zinc/88/44/27/344884427.db2.gz DXEVEOAMMUCWCN-BBBLOLIVSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@H]1CN(C(=O)C2(C[NH3+])CCCC2)C[C@H](C)[NH2+]1 ZINC000153439024 344876256 /nfs/dbraw/zinc/87/62/56/344876256.db2.gz XSLWQRZCMCTVCU-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000583439673 344963768 /nfs/dbraw/zinc/96/37/68/344963768.db2.gz GNRIDJIRMJMDHG-RHYQMDGZSA-N 2 0 239.363 0.631 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC[NH2+]CC1 ZINC000387575782 344939791 /nfs/dbraw/zinc/93/97/91/344939791.db2.gz OHUHXEOJTXTTKP-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368226167 187297470 /nfs/dbraw/zinc/29/74/70/187297470.db2.gz MVFTVTHGMVRHNQ-MXWKQRLJSA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000309823811 323082733 /nfs/dbraw/zinc/08/27/33/323082733.db2.gz WXGYTVHGTISKSD-OPRDCNLKSA-N 2 0 213.325 0.165 20 0 BCADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+]1CCCC1 ZINC000667582279 537884235 /nfs/dbraw/zinc/88/42/35/537884235.db2.gz ROXNQANPLKVMLH-NEPJUHHUSA-N 2 0 210.321 0.851 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000574876632 345068383 /nfs/dbraw/zinc/06/83/83/345068383.db2.gz AASFQQRXFYKZDK-YIZRAAEISA-N 2 0 249.305 0.697 20 0 BCADRP CC[C@H](COC)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000155110319 345070223 /nfs/dbraw/zinc/07/02/23/345070223.db2.gz JRSBTZMQNKCABX-CHWSQXEVSA-N 2 0 243.395 0.637 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000155244474 345074814 /nfs/dbraw/zinc/07/48/14/345074814.db2.gz WRPIPQOIKSHWJE-YFKTTZPYSA-N 2 0 241.379 0.946 20 0 BCADRP [NH3+]CCCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000044428466 345061998 /nfs/dbraw/zinc/06/19/98/345061998.db2.gz QGLLFVIGFYLIPG-JTQLQIEISA-N 2 0 213.325 0.231 20 0 BCADRP CC[C@@H](C)[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000319032742 259382578 /nfs/dbraw/zinc/38/25/78/259382578.db2.gz SNYYBCCKUCFUEZ-VXGBXAGGSA-N 2 0 213.369 0.916 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](COC)C1 ZINC000310450670 259382606 /nfs/dbraw/zinc/38/26/06/259382606.db2.gz XZFLKYSYKCIEOX-OLZOCXBDSA-N 2 0 244.379 0.657 20 0 BCADRP C[C@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000579711438 345167588 /nfs/dbraw/zinc/16/75/88/345167588.db2.gz ABWBOJJIYMQIQG-CMPLNLGQSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+]CCCN(C)C[C@H](C[NH3+])C(C)C ZINC000634996594 345189952 /nfs/dbraw/zinc/18/99/52/345189952.db2.gz OOOZNELNCCYQSR-NSHDSACASA-N 2 0 201.358 0.759 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1CC12CC(C1)C[NH2+]2 ZINC000634990896 345173320 /nfs/dbraw/zinc/17/33/20/345173320.db2.gz HLKMMRJZHHIYCI-GMKTYKIGSA-N 2 0 223.364 0.940 20 0 BCADRP [NH3+]CC1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634990816 345173563 /nfs/dbraw/zinc/17/35/63/345173563.db2.gz DTJQNFUZILBXSP-UHFFFAOYSA-N 2 0 209.337 0.409 20 0 BCADRP C[NH2+]C[C@H]1CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634991162 345174025 /nfs/dbraw/zinc/17/40/25/345174025.db2.gz SALRHDCKCCIEKF-VOMCLLRMSA-N 2 0 209.337 0.280 20 0 BCADRP C[NH2+][C@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634990967 345174031 /nfs/dbraw/zinc/17/40/31/345174031.db2.gz JLORKEYGHOFADG-CXQJBGSLSA-N 2 0 209.337 0.422 20 0 BCADRP C[C@H]1CCCN(CC23CC(C2)C[NH2+]3)[C@H]1C[NH3+] ZINC000634990998 345174047 /nfs/dbraw/zinc/17/40/47/345174047.db2.gz KZNGRXBQHAEFOV-QCXCNERSSA-N 2 0 223.364 0.798 20 0 BCADRP C[C@@H]1CCCN(CC23CC(C2)C[NH2+]3)[C@H]1C[NH3+] ZINC000634990997 345174177 /nfs/dbraw/zinc/17/41/77/345174177.db2.gz KZNGRXBQHAEFOV-IGJPJIBNSA-N 2 0 223.364 0.798 20 0 BCADRP C[NH2+][C@@H]1CCCN(C[C@H](C[NH3+])C(C)C)C1 ZINC000634991215 345174238 /nfs/dbraw/zinc/17/42/38/345174238.db2.gz UVXIJJKVERHUGW-NWDGAFQWSA-N 2 0 213.369 0.901 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000634996675 345191286 /nfs/dbraw/zinc/19/12/86/345191286.db2.gz QLDYXQGOHNFVMA-BFUDSRACSA-N 2 0 209.337 0.598 20 0 BCADRP C[C@H]1[NH2+]CCN(CC23CC(C2)C[NH2+]3)[C@@H]1C ZINC000634991449 345177372 /nfs/dbraw/zinc/17/73/72/345177372.db2.gz DXLSZCRABMSWMF-QYNFOATHSA-N 2 0 209.337 0.421 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(CC34CC(C3)C[NH2+]4)C[C@H]21 ZINC000634991689 345178423 /nfs/dbraw/zinc/17/84/23/345178423.db2.gz OBWPURSSIWWJQS-DEULPLRUSA-N 2 0 235.375 0.798 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1CC12CC(C1)C[NH2+]2 ZINC000634991657 345178557 /nfs/dbraw/zinc/17/85/57/345178557.db2.gz NCNANMYEZGLTSO-OTTFEQOBSA-N 2 0 223.364 0.812 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1CC12CC(C1)C[NH2+]2 ZINC000634991798 345178644 /nfs/dbraw/zinc/17/86/44/345178644.db2.gz ROMXBCRTIKZMLK-CXQJBGSLSA-N 2 0 209.337 0.422 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN[C@H](C[NH3+])C(F)(F)F ZINC000634996787 345181118 /nfs/dbraw/zinc/18/11/18/345181118.db2.gz VMDZDVDUVOLARB-JGVFFNPUSA-N 2 0 227.274 0.697 20 0 BCADRP [NH3+]CC1(CNCCC[NH2+]Cc2cccnc2)CC1 ZINC000634994599 345181971 /nfs/dbraw/zinc/18/19/71/345181971.db2.gz IRBLRBJINBLSPF-UHFFFAOYSA-N 2 0 248.374 0.890 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1CC12CC(C1)C[NH2+]2 ZINC000634994481 345181992 /nfs/dbraw/zinc/18/19/92/345181992.db2.gz FCFKSGXQQIVLOA-YECOWLKZSA-N 2 0 227.327 0.370 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000634994981 345183686 /nfs/dbraw/zinc/18/36/86/345183686.db2.gz RKVUFJCNWBJHQH-UPJWGTAASA-N 2 0 225.380 0.901 20 0 BCADRP CC(C)[C@H](C[NH3+])C[NH2+][C@@H](C)CCC[NH3+] ZINC000634995385 345184534 /nfs/dbraw/zinc/18/45/34/345184534.db2.gz CFUDIZNZAHUSBL-WDEREUQCSA-N 2 0 201.358 0.934 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN[C@@H](CC[NH3+])C(F)F ZINC000634995423 345184563 /nfs/dbraw/zinc/18/45/63/345184563.db2.gz DQGFFDPZAYHKMC-IUCAKERBSA-N 2 0 223.311 0.789 20 0 BCADRP O=C1C[C@@H](NCC23CC(C2)C[NH2+]3)CN1C1CC1 ZINC000634996862 345184567 /nfs/dbraw/zinc/18/45/67/345184567.db2.gz XISXEHMZEOWACY-RUETXSTFSA-N 2 0 235.331 0.091 20 0 BCADRP COC[C@]1(CNC[C@H](C[NH3+])C(C)C)CCC[NH2+]1 ZINC000634995722 345185035 /nfs/dbraw/zinc/18/50/35/345185035.db2.gz NBTPBFNRNCDZEN-QWHCGFSZSA-N 2 0 243.395 0.576 20 0 BCADRP CC(C)[C@H](C[NH3+])CN[C@H]1CCC[NH2+]CC1 ZINC000634995480 345185093 /nfs/dbraw/zinc/18/50/93/345185093.db2.gz GKQYHFPLRCYZPI-NEPJUHHUSA-N 2 0 213.369 0.949 20 0 BCADRP [NH3+]CC[C@H](NCC12CC(C1)C[NH2+]2)C(F)F ZINC000634995703 345185266 /nfs/dbraw/zinc/18/52/66/345185266.db2.gz MSQJWTFHUCYEKN-ZCUBBSJVSA-N 2 0 219.279 0.311 20 0 BCADRP CC(C)[C@H](C[NH3+])CN[C@H]1CC[NH2+]C[C@@H]1C ZINC000634995905 345185834 /nfs/dbraw/zinc/18/58/34/345185834.db2.gz SHRRXDZOJLOBGI-TUAOUCFPSA-N 2 0 213.369 0.805 20 0 BCADRP COCC[NH2+]CCNC[C@H](C[NH3+])C(C)C ZINC000634996044 345186127 /nfs/dbraw/zinc/18/61/27/345186127.db2.gz XRYONJYPNAJZNB-NSHDSACASA-N 2 0 217.357 0.043 20 0 BCADRP [NH3+]Cc1ccc(CNCC23CC(C2)C[NH2+]3)cc1 ZINC000634996933 345186933 /nfs/dbraw/zinc/18/69/33/345186933.db2.gz ZCWIDRFLOXVZRE-UHFFFAOYSA-N 2 0 231.343 0.987 20 0 BCADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1COC[C@H]1O ZINC000323167328 537889684 /nfs/dbraw/zinc/88/96/84/537889684.db2.gz LIWMZJWVGXVQLG-YVECIDJPSA-N 2 0 242.363 0.647 20 0 BCADRP C[C@H](C[NH2+][C@@H]1CCNC(=O)CC1)N(C)C1CC1 ZINC000634959793 345132978 /nfs/dbraw/zinc/13/29/78/345132978.db2.gz BBWIBZCZTIWODA-MNOVXSKESA-N 2 0 239.363 0.727 20 0 BCADRP C(NCC12CC(C1)C[NH2+]2)[C@H]1CCCCO1 ZINC000634996219 345187462 /nfs/dbraw/zinc/18/74/62/345187462.db2.gz DDXJYVYXZKYOKF-MOENNCHZSA-N 2 0 210.321 0.897 20 0 BCADRP c1ccc(CCNCC23CC(C2)C[NH2+]3)nc1 ZINC000634996223 345187700 /nfs/dbraw/zinc/18/77/00/345187700.db2.gz DGBHTSWVKDMCSL-UHFFFAOYSA-N 2 0 217.316 0.966 20 0 BCADRP CC(C)[C@@H](C[NH3+])CNCC12CC(C1)C[NH2+]2 ZINC000634996420 345187779 /nfs/dbraw/zinc/18/77/79/345187779.db2.gz JFRMVSKGKIMMJJ-CXQJBGSLSA-N 2 0 211.353 0.559 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1CC12CC(C1)C[NH2+]2 ZINC000634996630 345191345 /nfs/dbraw/zinc/19/13/45/345191345.db2.gz PQPPQDHFSNBRRE-ZYGVAYEYSA-N 2 0 209.337 0.550 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CCCO[C@@H](C[NH3+])C1 ZINC000634996576 345188617 /nfs/dbraw/zinc/18/86/17/345188617.db2.gz OIKGNHTWLUKEMF-NEPJUHHUSA-N 2 0 229.368 0.267 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000381281856 345227671 /nfs/dbraw/zinc/22/76/71/345227671.db2.gz YLESWGDAKNNQDB-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP C[C@H](C(=O)N1CCC[N@H+](C)CC1)[NH+](C)C ZINC000635077393 345241505 /nfs/dbraw/zinc/24/15/05/345241505.db2.gz JOPFOSMVZPMGFN-SNVBAGLBSA-N 2 0 213.325 0.101 20 0 BCADRP CCN1CCN(C(=O)[C@@]2(CC)CCC[NH2+]2)CC1 ZINC000128731022 345244169 /nfs/dbraw/zinc/24/41/69/345244169.db2.gz QLWWVMKTWHQBMF-CYBMUJFWSA-N 2 0 239.363 0.683 20 0 BCADRP [NH3+][C@@]12CCC[C@H]1CN(CC13CC(C1)C[NH2+]3)C2 ZINC000634996983 345194238 /nfs/dbraw/zinc/19/42/38/345194238.db2.gz AOFFZLBLRMCMCJ-PYNQCMFNSA-N 2 0 221.348 0.552 20 0 BCADRP CN1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000600964991 345196379 /nfs/dbraw/zinc/19/63/79/345196379.db2.gz BUXIDIJNOXTXKF-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP Cc1nn(C)cc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634998161 345197224 /nfs/dbraw/zinc/19/72/24/345197224.db2.gz BNXMHEJAHPRJBC-MWLCHTKSSA-N 2 0 222.336 0.755 20 0 BCADRP OCC[NH2+]C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000635001690 345201080 /nfs/dbraw/zinc/20/10/80/345201080.db2.gz BNWOBJSKMFSTTG-LBPRGKRZSA-N 2 0 242.363 0.459 20 0 BCADRP C[C@@H]1CN(Cc2nccn2C)C[C@H]1C[NH3+] ZINC000634999805 345201197 /nfs/dbraw/zinc/20/11/97/345201197.db2.gz ZFTWTNMOCBRWPV-NXEZZACHSA-N 2 0 208.309 0.447 20 0 BCADRP C[C@H]1CCC[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000139807484 345202619 /nfs/dbraw/zinc/20/26/19/345202619.db2.gz NZVDIKIWCPQKKQ-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[C@H](C[NH3+])C[NH2+]CCOCCC[NH3+] ZINC000634997911 345202952 /nfs/dbraw/zinc/20/29/52/345202952.db2.gz WCEGSDRAEMGSCG-LLVKDONJSA-N 3 0 217.357 0.172 20 0 BCADRP C[C@@]1(CN2CCC([NH2+]CCO)CC2)CC[NH2+]C1 ZINC000635002221 345204103 /nfs/dbraw/zinc/20/41/03/345204103.db2.gz LDVWWWMTBSYBFV-CYBMUJFWSA-N 3 0 241.379 0.032 20 0 BCADRP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004325 345207677 /nfs/dbraw/zinc/20/76/77/345207677.db2.gz CXNBEVGTICYELR-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[C@H](CCO)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000635005301 345209323 /nfs/dbraw/zinc/20/93/23/345209323.db2.gz UFSORBLVWFQXEW-GXSJLCMTSA-N 2 0 200.326 0.735 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635006075 345210611 /nfs/dbraw/zinc/21/06/11/345210611.db2.gz LFAOVFLVJJQGDW-GUBZILKMSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012119 345214714 /nfs/dbraw/zinc/21/47/14/345214714.db2.gz QVQWLVFADUFIDY-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449079396 201804334 /nfs/dbraw/zinc/80/43/34/201804334.db2.gz YOBXJKQGDFXSCJ-QWRGUYRKSA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000449071888 201804811 /nfs/dbraw/zinc/80/48/11/201804811.db2.gz IWNVROSXCADLHZ-WDEREUQCSA-N 2 0 241.379 0.879 20 0 BCADRP CC(C)[N@@H+](C)CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178805668 534992719 /nfs/dbraw/zinc/99/27/19/534992719.db2.gz FEFLCSMZTJTAHP-NSHDSACASA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000635310826 345302283 /nfs/dbraw/zinc/30/22/83/345302283.db2.gz LXOWVDAJGQIWSH-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000635480532 345388215 /nfs/dbraw/zinc/38/82/15/345388215.db2.gz XPFCZBLQLZMQGT-VXGBXAGGSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000147091044 345370057 /nfs/dbraw/zinc/37/00/57/345370057.db2.gz IAQDPRQZUBYZOZ-UHFFFAOYSA-N 2 0 213.325 0.502 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000635508653 345404836 /nfs/dbraw/zinc/40/48/36/345404836.db2.gz XDYOVHVWKUALPO-NXEZZACHSA-N 2 0 213.325 0.147 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000635506581 345406264 /nfs/dbraw/zinc/40/62/64/345406264.db2.gz CRWNZKCJNRBOLB-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H](C[NH3+])C1CC1)[NH+](C)C ZINC000159085645 345408639 /nfs/dbraw/zinc/40/86/39/345408639.db2.gz SELMMFFLMVFTLA-GHMZBOCLSA-N 2 0 227.352 0.426 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000449116973 201812732 /nfs/dbraw/zinc/81/27/32/201812732.db2.gz SCYCOMBUUURYTG-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000449125250 201813839 /nfs/dbraw/zinc/81/38/39/201813839.db2.gz IRCOSNOKGYBPPO-MNOVXSKESA-N 2 0 241.379 0.864 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000449125252 201814099 /nfs/dbraw/zinc/81/40/99/201814099.db2.gz IRCOSNOKGYBPPO-WDEREUQCSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000575122197 345450822 /nfs/dbraw/zinc/45/08/22/345450822.db2.gz BNUSKLWBWDEMTN-BJDJZHNGSA-N 2 0 239.363 0.570 20 0 BCADRP CC(=O)N1CC(NCc2c[nH+]ccc2N(C)C)C1 ZINC000575329640 345394066 /nfs/dbraw/zinc/39/40/66/345394066.db2.gz NHIYYNAMJLFVDR-UHFFFAOYSA-N 2 0 248.330 0.468 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)[NH+](C)C)[N@H+](C)C1CC1 ZINC000635490255 345396922 /nfs/dbraw/zinc/39/69/22/345396922.db2.gz IRWLRKFJNQOKBP-NXEZZACHSA-N 2 0 227.352 0.535 20 0 BCADRP C[C@H](C(=O)N(C)CC1CC[NH+](C)CC1)[NH+](C)C ZINC000635498353 345401556 /nfs/dbraw/zinc/40/15/56/345401556.db2.gz DDBGQSDYBSRYIU-LLVKDONJSA-N 2 0 241.379 0.737 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCC[NH3+] ZINC000082241812 345497561 /nfs/dbraw/zinc/49/75/61/345497561.db2.gz ICNPOXFGNCBOPZ-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC[NH3+] ZINC000082241798 345497636 /nfs/dbraw/zinc/49/76/36/345497636.db2.gz OCBZIPAUXZMTJA-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000336646413 187304735 /nfs/dbraw/zinc/30/47/35/187304735.db2.gz BEOKLFLYKYRUAP-GUBZILKMSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000635540579 345519813 /nfs/dbraw/zinc/51/98/13/345519813.db2.gz MYGLKAZTIPWQIC-GHMZBOCLSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000563088884 323091379 /nfs/dbraw/zinc/09/13/79/323091379.db2.gz LCNOOLYTRKSOIZ-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP COC[C@@H](O)C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000068892051 349930582 /nfs/dbraw/zinc/93/05/82/349930582.db2.gz KFJDNFDPOSHHLI-RYUDHWBXSA-N 2 0 230.352 0.315 20 0 BCADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)COC)CC1 ZINC000068891912 349930687 /nfs/dbraw/zinc/93/06/87/349930687.db2.gz RLYUWJSANFGUBF-GFCCVEGCSA-N 2 0 230.352 0.315 20 0 BCADRP [NH3+]CCSCc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000600975445 345573090 /nfs/dbraw/zinc/57/30/90/345573090.db2.gz BXLFWYFONIGXIR-SECBINFHSA-N 2 0 241.364 0.222 20 0 BCADRP C[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000563115400 323093448 /nfs/dbraw/zinc/09/34/48/323093448.db2.gz ATTDRAKSAIFZTL-SSDOTTSWSA-N 2 0 205.261 0.576 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000563116083 323093493 /nfs/dbraw/zinc/09/34/93/323093493.db2.gz XWNNCOMKAFJHEN-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000567848389 323092707 /nfs/dbraw/zinc/09/27/07/323092707.db2.gz ACJFRTACTKVZNK-WPRPVWTQSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000563107182 323092738 /nfs/dbraw/zinc/09/27/38/323092738.db2.gz AFIMBSKEGWIFSK-CKYFFXLPSA-N 2 0 225.336 0.100 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262923498 535001662 /nfs/dbraw/zinc/00/16/62/535001662.db2.gz ZOIWBRLJZLNQRJ-QWRGUYRKSA-N 2 0 227.352 0.441 20 0 BCADRP [NH3+]CC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000148722113 345720357 /nfs/dbraw/zinc/72/03/57/345720357.db2.gz VVPBURPFLPJVPD-UHFFFAOYSA-N 3 0 211.353 0.657 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)NCCC[NH2+]C1CC1 ZINC000564571521 323096016 /nfs/dbraw/zinc/09/60/16/323096016.db2.gz LEWDYXVTRCJRPR-LLVKDONJSA-N 2 0 225.336 0.387 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000381382290 345769250 /nfs/dbraw/zinc/76/92/50/345769250.db2.gz LPHHZMWKHLWTKR-UTLUCORTSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000581368986 345854193 /nfs/dbraw/zinc/85/41/93/345854193.db2.gz WEXNIPANBGNCEA-IJLUTSLNSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H](C(=O)N(C)[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000635605417 345889641 /nfs/dbraw/zinc/88/96/41/345889641.db2.gz BQRXSRYVKLZASY-GHMZBOCLSA-N 2 0 227.352 0.489 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000563160307 323097432 /nfs/dbraw/zinc/09/74/32/323097432.db2.gz JLLMYQMDIYQLSH-GRYCIOLGSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000059930672 187361002 /nfs/dbraw/zinc/36/10/02/187361002.db2.gz ICJBDDOUTDVTCA-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H](C(=O)NCC[N@@H+]1CC[C@@H](C)C1)[NH+](C)C ZINC000635636035 345911080 /nfs/dbraw/zinc/91/10/80/345911080.db2.gz XBENFMBNQYXGDJ-GHMZBOCLSA-N 2 0 227.352 0.395 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H](C)[NH+](C)C ZINC000635641052 345914309 /nfs/dbraw/zinc/91/43/09/345914309.db2.gz SMPONAREXWLDGQ-LLVKDONJSA-N 2 0 229.368 0.785 20 0 BCADRP CCCN(C(=O)CCC[NH2+]C)C1CC[NH2+]CC1 ZINC000178652283 345915498 /nfs/dbraw/zinc/91/54/98/345915498.db2.gz BYXVMMFDTIEFIN-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178844607 345918646 /nfs/dbraw/zinc/91/86/46/345918646.db2.gz BDHHFYYLEVBRQW-VHSXEESVSA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000309827662 187311210 /nfs/dbraw/zinc/31/12/10/187311210.db2.gz XSIRTDPMCMDPEZ-AEJSXWLSSA-N 2 0 213.325 0.308 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000309827665 187311252 /nfs/dbraw/zinc/31/12/52/187311252.db2.gz XSIRTDPMCMDPEZ-GUBZILKMSA-N 2 0 213.325 0.308 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000094648195 187361387 /nfs/dbraw/zinc/36/13/87/187361387.db2.gz UOLXMTUOEDXJKA-RYUDHWBXSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H](C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000635665105 345967733 /nfs/dbraw/zinc/96/77/33/345967733.db2.gz UZLRFSMLJGRFLJ-HBNTYKKESA-N 2 0 239.363 0.678 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000563200959 323101481 /nfs/dbraw/zinc/10/14/81/323101481.db2.gz CTLQCRFRBCRIJB-GRYCIOLGSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H](C(=O)N1C[C@H](C)N(C)C[C@H]1C)[NH+](C)C ZINC000635756719 346050966 /nfs/dbraw/zinc/05/09/66/346050966.db2.gz ICHKKQPBEYPIFO-HBNTYKKESA-N 2 0 227.352 0.488 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)[NH+](C)C ZINC000635781285 346055755 /nfs/dbraw/zinc/05/57/55/346055755.db2.gz ZNHZVHLGTLQRJQ-GRYCIOLGSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000381491194 346057889 /nfs/dbraw/zinc/05/78/89/346057889.db2.gz XTZKUVBRZBBEKV-KATARQTJSA-N 2 0 213.325 0.165 20 0 BCADRP CC(C)[C@@H]1CN(C(=O)[C@@H](C)[NH+](C)C)CC[N@@H+]1C ZINC000635863045 346096422 /nfs/dbraw/zinc/09/64/22/346096422.db2.gz BSVJXPUDEDJCTM-NEPJUHHUSA-N 2 0 241.379 0.735 20 0 BCADRP C[NH+](C)CC1(C(=O)N2CC[N@@H+]3CC[C@H]2C3)CC1 ZINC000635974767 346129924 /nfs/dbraw/zinc/12/99/24/346129924.db2.gz CBAPYENFFPQROY-NSHDSACASA-N 2 0 237.347 0.245 20 0 BCADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH+](C)C ZINC000635955511 346131160 /nfs/dbraw/zinc/13/11/60/346131160.db2.gz WWPYZYJJTLHDIM-NSHDSACASA-N 2 0 241.379 0.642 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000364599341 187316273 /nfs/dbraw/zinc/31/62/73/187316273.db2.gz KYQSRQNDJPDTDX-CHWFTXMASA-N 2 0 239.363 0.841 20 0 BCADRP CC[C@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000309511031 347089213 /nfs/dbraw/zinc/08/92/13/347089213.db2.gz XHIIQTVTJXADEO-JTQLQIEISA-N 2 0 207.277 0.821 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000353133900 187318112 /nfs/dbraw/zinc/31/81/12/187318112.db2.gz UVPXJUGNCKOGFZ-TUAOUCFPSA-N 2 0 241.379 0.720 20 0 BCADRP C[NH+](C)CCOCC[NH2+]Cc1ccncc1N ZINC000641747171 362673942 /nfs/dbraw/zinc/67/39/42/362673942.db2.gz FMVLTOQBQGKSSO-UHFFFAOYSA-N 2 0 238.335 0.332 20 0 BCADRP C[C@@H](C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C)[NH+](C)C ZINC000636092744 346317347 /nfs/dbraw/zinc/31/73/47/346317347.db2.gz UYWFWEUZHZALBZ-DCAQKATOSA-N 2 0 241.379 0.781 20 0 BCADRP [NH3+]CCC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000069729893 349953779 /nfs/dbraw/zinc/95/37/79/349953779.db2.gz PWBDQOWPTTXNJM-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP CCN(C(=O)[C@@H](C)[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000636177008 346346515 /nfs/dbraw/zinc/34/65/15/346346515.db2.gz PIOIHDSMPDKJAT-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)CCCC[NH3+] ZINC000069733909 349956277 /nfs/dbraw/zinc/95/62/77/349956277.db2.gz XQWAUIDWLRXUFV-SNVBAGLBSA-N 2 0 215.341 0.572 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)CCCC[NH3+])C1 ZINC000069734000 349956322 /nfs/dbraw/zinc/95/63/22/349956322.db2.gz KSXVXISEDOBXDR-NSHDSACASA-N 2 0 227.352 0.573 20 0 BCADRP CC[NH+]1CCC(NC(=O)CCCC[NH3+])CC1 ZINC000069733583 349956338 /nfs/dbraw/zinc/95/63/38/349956338.db2.gz URXWYBIBYGKYGD-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000574918908 346411374 /nfs/dbraw/zinc/41/13/74/346411374.db2.gz BXPGYQJKRFUQOK-LOWVWBTDSA-N 2 0 237.347 0.196 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000575046809 346423295 /nfs/dbraw/zinc/42/32/95/346423295.db2.gz HKMLHSILWXUVAD-UTINFBMNSA-N 2 0 202.298 0.116 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000575046810 346423458 /nfs/dbraw/zinc/42/34/58/346423458.db2.gz HKMLHSILWXUVAD-ZYUZMQFOSA-N 2 0 202.298 0.116 20 0 BCADRP C[C@@H]1C[N@H+](CCc2cncn2C)CC[C@H]1[NH3+] ZINC000641795869 362737170 /nfs/dbraw/zinc/73/71/70/362737170.db2.gz APDPFBASMYPSBI-ZYHUDNBSSA-N 2 0 222.336 0.632 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)[NH2+]C ZINC000300369622 346433173 /nfs/dbraw/zinc/43/31/73/346433173.db2.gz ZELRULRALFHVTO-UWVGGRQHSA-N 2 0 215.341 0.441 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1cncn1C ZINC000641798162 362743275 /nfs/dbraw/zinc/74/32/75/362743275.db2.gz LWOKWSJFLIHHSB-MNOVXSKESA-N 2 0 222.336 0.632 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000449475057 201935932 /nfs/dbraw/zinc/93/59/32/201935932.db2.gz DXWJCXXRSZLEJW-WDEREUQCSA-N 2 0 227.352 0.633 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C[NH2+]C1CC1 ZINC000381620852 346458105 /nfs/dbraw/zinc/45/81/05/346458105.db2.gz ZHPSXTGXDBSTQI-UHFFFAOYSA-N 2 0 213.325 0.243 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000580095794 346523504 /nfs/dbraw/zinc/52/35/04/346523504.db2.gz HTYQLJTWIVOCGC-IJLUTSLNSA-N 2 0 211.353 0.988 20 0 BCADRP COC[C@H](O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC000580064512 346504178 /nfs/dbraw/zinc/50/41/78/346504178.db2.gz ICZVZBSDYJSFBI-CYBMUJFWSA-N 2 0 244.379 0.849 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000309546339 347097830 /nfs/dbraw/zinc/09/78/30/347097830.db2.gz BVBHHYSGZWRTCJ-LLVKDONJSA-N 2 0 213.325 0.102 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000580095793 346523628 /nfs/dbraw/zinc/52/36/28/346523628.db2.gz HTYQLJTWIVOCGC-GRYCIOLGSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC1CC[NH2+]CC1 ZINC000580071493 346507788 /nfs/dbraw/zinc/50/77/88/346507788.db2.gz UJMZQYZEPXJQAK-IUCAKERBSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000580072527 346508858 /nfs/dbraw/zinc/50/88/58/346508858.db2.gz MNNMJEABXUIPDH-VWYCJHECSA-N 2 0 225.336 0.385 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CCCCOC)C1 ZINC000053033720 346508941 /nfs/dbraw/zinc/50/89/41/346508941.db2.gz SOFQQYCBQYEHNL-LLVKDONJSA-N 2 0 200.326 0.954 20 0 BCADRP CCC(F)(F)CN1CCC(O)(C[NH3+])CC1 ZINC000641800399 362751410 /nfs/dbraw/zinc/75/14/10/362751410.db2.gz XHQLATSBFIDXFL-UHFFFAOYSA-N 2 0 222.279 0.817 20 0 BCADRP C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000641800514 362751517 /nfs/dbraw/zinc/75/15/17/362751517.db2.gz YJYUXFLUUVQILT-FOGDFJRCSA-N 2 0 222.336 0.928 20 0 BCADRP C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000641800516 362751916 /nfs/dbraw/zinc/75/19/16/362751916.db2.gz YJYUXFLUUVQILT-SCVCMEIPSA-N 2 0 222.336 0.928 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335627409 535050079 /nfs/dbraw/zinc/05/00/79/535050079.db2.gz QXKPWKFHYBEUBX-VIFPVBQESA-N 2 0 213.325 0.180 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000641801042 362753469 /nfs/dbraw/zinc/75/34/69/362753469.db2.gz LWYOTVWQMJKDGV-HBNTYKKESA-N 3 0 239.363 0.223 20 0 BCADRP C[C@@H]1CN(CC[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)CCO1 ZINC000641801569 362756479 /nfs/dbraw/zinc/75/64/79/362756479.db2.gz SQUCWGUHBXBUGO-UTUOFQBUSA-N 2 0 241.379 0.423 20 0 BCADRP CN1CCC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2(C)C)C1=O ZINC000641801572 362756763 /nfs/dbraw/zinc/75/67/63/362756763.db2.gz SRMKKYOABVYJLJ-GUBZILKMSA-N 2 0 225.336 0.323 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000580052149 346496885 /nfs/dbraw/zinc/49/68/85/346496885.db2.gz JQXIJWXURWBXOJ-NSHDSACASA-N 2 0 244.383 0.625 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)c2c[nH+]ccc2N)C1 ZINC000187173046 346558760 /nfs/dbraw/zinc/55/87/60/346558760.db2.gz TXCMEABLNDXCLP-VIFPVBQESA-N 2 0 234.303 0.488 20 0 BCADRP C[NH+](C)CCCCC(=O)NCC[NH+](C)C ZINC000580138570 346550117 /nfs/dbraw/zinc/55/01/17/346550117.db2.gz BQAVPGQSYODOKM-UHFFFAOYSA-N 2 0 215.341 0.396 20 0 BCADRP C[C@H](C(=O)NC1CC1)[NH+]1CCC(CC[NH3+])CC1 ZINC000070188516 349975361 /nfs/dbraw/zinc/97/53/61/349975361.db2.gz BWWSHYIIGXQSOX-SNVBAGLBSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C[NH2+]C2CC2)C[N@@H+]1C1CC1 ZINC000580644716 365832451 /nfs/dbraw/zinc/83/24/51/365832451.db2.gz VNLPYMORJZUUQN-KOLCDFICSA-N 2 0 237.347 0.480 20 0 BCADRP CC[NH2+]CCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000580190200 346643730 /nfs/dbraw/zinc/64/37/30/346643730.db2.gz ZFZIPFYPNJGRCK-UHFFFAOYSA-N 2 0 233.315 0.629 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC[C@@H]1[NH3+] ZINC000580197453 346654328 /nfs/dbraw/zinc/65/43/28/346654328.db2.gz JNEMHPHRBIUUOK-LPEHRKFASA-N 2 0 227.352 0.556 20 0 BCADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000580715339 346663299 /nfs/dbraw/zinc/66/32/99/346663299.db2.gz YFOOLTZGXQSPOZ-STQMWFEESA-N 3 0 225.380 0.965 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccnc(C[NH3+])c1 ZINC000562978020 346663467 /nfs/dbraw/zinc/66/34/67/346663467.db2.gz RMJHHMMGUWULGY-LLVKDONJSA-N 2 0 248.330 0.411 20 0 BCADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)C1CC[NH2+]CC1 ZINC000580190776 346642293 /nfs/dbraw/zinc/64/22/93/346642293.db2.gz OJMYVDAWHMKZGK-VIFPVBQESA-N 2 0 247.289 0.099 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000167337483 346705864 /nfs/dbraw/zinc/70/58/64/346705864.db2.gz XGCLLQDBPDVCCU-LLVKDONJSA-N 2 0 241.379 0.973 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089241 346714820 /nfs/dbraw/zinc/71/48/20/346714820.db2.gz QMZHSJOYNSSBNM-NXEZZACHSA-N 2 0 215.341 0.426 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000178406181 346676905 /nfs/dbraw/zinc/67/69/05/346676905.db2.gz ZZMSENMOAKNUCY-JTQLQIEISA-N 2 0 207.277 0.022 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000310505134 323132658 /nfs/dbraw/zinc/13/26/58/323132658.db2.gz IYSIZJMIHCLDJB-XQQFMLRXSA-N 2 0 243.395 0.323 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000300421826 346746237 /nfs/dbraw/zinc/74/62/37/346746237.db2.gz PWXCQXJABPDHSB-SDDRHHMPSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC000582057253 347152537 /nfs/dbraw/zinc/15/25/37/347152537.db2.gz ZNRUAZKXAMPKKS-JFGNBEQYSA-N 2 0 225.336 0.182 20 0 BCADRP COC[C@@H](O)C[NH2+]Cc1cnc2n1CCCC2 ZINC000582058605 347153759 /nfs/dbraw/zinc/15/37/59/347153759.db2.gz PGJRGUVXTXUIFG-NSHDSACASA-N 2 0 239.319 0.316 20 0 BCADRP C[C@H](CN1CCOCC1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000582063287 347157649 /nfs/dbraw/zinc/15/76/49/347157649.db2.gz WKTOBCSUMVWJBX-UPJWGTAASA-N 2 0 241.379 0.376 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000581132522 347215095 /nfs/dbraw/zinc/21/50/95/347215095.db2.gz WHDIPMADHLRMDL-LOWVWBTDSA-N 2 0 239.363 0.572 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)NC/C=C/C[NH3+] ZINC000641862734 362790726 /nfs/dbraw/zinc/79/07/26/362790726.db2.gz QIZHUHCEQIYZBG-UFFNRZRYSA-N 2 0 240.351 0.285 20 0 BCADRP CC(C)(C[NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000516649209 347219551 /nfs/dbraw/zinc/21/95/51/347219551.db2.gz CPDUXZOESVTBLV-XYPYZODXSA-N 2 0 241.379 0.853 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000149518892 347295156 /nfs/dbraw/zinc/29/51/56/347295156.db2.gz YVUANKJTPPMGEE-LBPRGKRZSA-N 2 0 239.363 0.491 20 0 BCADRP CC[C@H](C)NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000070188305 349975730 /nfs/dbraw/zinc/97/57/30/349975730.db2.gz ATXRUDWQZRISCK-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000641946688 362809713 /nfs/dbraw/zinc/80/97/13/362809713.db2.gz QSZHDAZVSWNNCR-MXWKQRLJSA-N 2 0 240.351 0.260 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000165405122 133657796 /nfs/dbraw/zinc/65/77/96/133657796.db2.gz VHSXYEUCBVVDSP-HBNTYKKESA-N 2 0 229.368 0.816 20 0 BCADRP CC[NH+](CC)CCCNC(=O)CCC[NH3+] ZINC000019518377 347338973 /nfs/dbraw/zinc/33/89/73/347338973.db2.gz SVXXYEWWLFPJFN-UHFFFAOYSA-N 2 0 215.341 0.573 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@H](C)[NH3+] ZINC000019519782 347339062 /nfs/dbraw/zinc/33/90/62/347339062.db2.gz NEQZUXINMHLDOE-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000019687614 347339893 /nfs/dbraw/zinc/33/98/93/347339893.db2.gz WOVFKHGWUIETAS-JTQLQIEISA-N 2 0 213.325 0.134 20 0 BCADRP C[N@@H+](Cc1ccc2ncccc2c1)C[C@@H](O)C[NH3+] ZINC000310884574 347316499 /nfs/dbraw/zinc/31/64/99/347316499.db2.gz XHBCIVJGNVGYQT-ZDUSSCGKSA-N 2 0 245.326 0.986 20 0 BCADRP C[C@H](CNC(=O)C[NH2+]C1CC1)[NH+]1CCCC1 ZINC000161086903 323146048 /nfs/dbraw/zinc/14/60/48/323146048.db2.gz VUTYRZXEJMNPKB-SNVBAGLBSA-N 2 0 225.336 0.339 20 0 BCADRP O=C1CC[C@@H]([NH2+]CCC[NH+]2CCCC2)CCN1 ZINC000396733284 362831061 /nfs/dbraw/zinc/83/10/61/362831061.db2.gz GDILKNJHNGEVKV-GFCCVEGCSA-N 2 0 239.363 0.731 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000088050910 362841231 /nfs/dbraw/zinc/84/12/31/362841231.db2.gz HDGTZVQZNKDEDE-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP CN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1=O ZINC000572856069 323149389 /nfs/dbraw/zinc/14/93/89/323149389.db2.gz WPWLXGMPIQJMSR-MXWKQRLJSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H]1CC[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000149777915 347512489 /nfs/dbraw/zinc/51/24/89/347512489.db2.gz JXMXGRKMZQDVEH-NNYUYHANSA-N 2 0 210.321 0.705 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)[NH2+]C1CC1)[NH+]1CCCC1 ZINC000382969890 347515047 /nfs/dbraw/zinc/51/50/47/347515047.db2.gz QZMDSCLYCNNEQR-MNOVXSKESA-N 2 0 239.363 0.727 20 0 BCADRP CN(CC[NH3+])C(=O)Nc1ccc2nccn2c1 ZINC000577232679 365893190 /nfs/dbraw/zinc/89/31/90/365893190.db2.gz PKAZBLZHVYLFKB-UHFFFAOYSA-N 2 0 233.275 0.757 20 0 BCADRP C[NH2+]CCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000195231983 347619605 /nfs/dbraw/zinc/61/96/05/347619605.db2.gz VDWUUFIDSVJFEH-GFCCVEGCSA-N 2 0 221.304 0.196 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000591453047 347664287 /nfs/dbraw/zinc/66/42/87/347664287.db2.gz SDSPXZPHVNYQBJ-LLVKDONJSA-N 2 0 227.352 0.395 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000591667554 347683750 /nfs/dbraw/zinc/68/37/50/347683750.db2.gz GDKJHSPFLHPGIH-JTQLQIEISA-N 2 0 227.352 0.395 20 0 BCADRP Cc1ccccc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000040537884 179281868 /nfs/dbraw/zinc/28/18/68/179281868.db2.gz CIVPZWGLTVNWRT-UHFFFAOYSA-N 2 0 233.359 0.990 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000040807274 347688170 /nfs/dbraw/zinc/68/81/70/347688170.db2.gz TWXDTAWDZDJHGS-SNVBAGLBSA-N 2 0 229.368 0.960 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000333390283 537991883 /nfs/dbraw/zinc/99/18/83/537991883.db2.gz OSKFXMYUQHZAJA-WDEREUQCSA-N 2 0 239.363 0.490 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@H](C)C[NH3+])CC1 ZINC000054342418 347768374 /nfs/dbraw/zinc/76/83/74/347768374.db2.gz CJGOVULVUHOMIN-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+]CCCCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000070202239 349976579 /nfs/dbraw/zinc/97/65/79/349976579.db2.gz ZVOZISDELBCLGC-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]CCCCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000070201961 349976617 /nfs/dbraw/zinc/97/66/17/349976617.db2.gz ZTVAPWMGPLXSBU-RYUDHWBXSA-N 2 0 239.363 0.858 20 0 BCADRP CCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000577290232 365919562 /nfs/dbraw/zinc/91/95/62/365919562.db2.gz HILTYISVMWKSHN-UPJWGTAASA-N 2 0 242.363 0.410 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000592488205 347786792 /nfs/dbraw/zinc/78/67/92/347786792.db2.gz HDRGHKLSJQHYBE-MNOVXSKESA-N 2 0 228.336 0.999 20 0 BCADRP COC(=O)[C@H](C)C[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000592493353 347787417 /nfs/dbraw/zinc/78/74/17/347787417.db2.gz OZUBRMZEAPTCOX-ZJUUUORDSA-N 2 0 214.309 0.337 20 0 BCADRP CCOC(=O)[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000592494271 347787851 /nfs/dbraw/zinc/78/78/51/347787851.db2.gz OJHKUJANJNIRHM-NWDGAFQWSA-N 2 0 240.347 0.871 20 0 BCADRP COC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492332 347787936 /nfs/dbraw/zinc/78/79/36/347787936.db2.gz YSZJWHOUHNUXJQ-NWDGAFQWSA-N 2 0 240.347 0.871 20 0 BCADRP COC(=O)CC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471170 347790101 /nfs/dbraw/zinc/79/01/01/347790101.db2.gz FKLIVTJFBZYAPV-UHFFFAOYSA-N 2 0 226.320 0.766 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000343648329 133701034 /nfs/dbraw/zinc/70/10/34/133701034.db2.gz VQCYJYQNIDUWEE-VLEAKVRGSA-N 2 0 225.336 0.323 20 0 BCADRP [NH3+]CCCCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000070203790 349977173 /nfs/dbraw/zinc/97/71/73/349977173.db2.gz ZKGHVCBTMWPRTR-GFCCVEGCSA-N 2 0 239.363 0.812 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000577374676 365937496 /nfs/dbraw/zinc/93/74/96/365937496.db2.gz GONFQZFYDFABBL-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000577374671 365937921 /nfs/dbraw/zinc/93/79/21/365937921.db2.gz GONFQZFYDFABBL-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP OCC1([NH2+]CC[C@H]2CC[NH2+]C2)CCCC1 ZINC000577379963 365938894 /nfs/dbraw/zinc/93/88/94/365938894.db2.gz QIQJLLLBUQHFEX-LLVKDONJSA-N 2 0 212.337 0.881 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000577404654 365946791 /nfs/dbraw/zinc/94/67/91/365946791.db2.gz NYWSKKHNGDXMSP-OLZOCXBDSA-N 2 0 243.395 0.373 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000295027481 179342894 /nfs/dbraw/zinc/34/28/94/179342894.db2.gz NPKKWONJJXRWPM-WXHSDQCUSA-N 2 0 247.342 0.943 20 0 BCADRP CC1(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000594739275 348110520 /nfs/dbraw/zinc/11/05/20/348110520.db2.gz RTSVUFXSEBIEIC-ZJUUUORDSA-N 2 0 223.320 0.030 20 0 BCADRP C[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000308692289 323176741 /nfs/dbraw/zinc/17/67/41/323176741.db2.gz LIKSHQMZLVBYJP-GMTAPVOTSA-N 2 0 200.326 0.687 20 0 BCADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CCCN1C ZINC000594918195 348153486 /nfs/dbraw/zinc/15/34/86/348153486.db2.gz PMRGTNSACZUVBQ-DDHJBXDOSA-N 2 0 240.347 0.868 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000563811390 323178692 /nfs/dbraw/zinc/17/86/92/323178692.db2.gz BOOYGPSAKDMQHZ-VHSXEESVSA-N 2 0 213.325 0.276 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000162037656 490137378 /nfs/dbraw/zinc/13/73/78/490137378.db2.gz ODTYGLIAGVGRCG-VWYCJHECSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@H]1C[C@H]1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000082648666 348242100 /nfs/dbraw/zinc/24/21/00/348242100.db2.gz JDOJVJZCJLDTCU-QWRGUYRKSA-N 2 0 225.336 0.006 20 0 BCADRP CC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082652437 348249671 /nfs/dbraw/zinc/24/96/71/348249671.db2.gz WMOBPNSEFCWNCS-NSHDSACASA-N 2 0 225.336 0.150 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)CS1 ZINC000397584188 362895368 /nfs/dbraw/zinc/89/53/68/362895368.db2.gz GOBBRWRHISNXAM-GHMZBOCLSA-N 2 0 244.404 0.927 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]CCCOCCO)CC1(C)C ZINC000623487573 362911521 /nfs/dbraw/zinc/91/15/21/362911521.db2.gz IEFLVBUSAXLDHW-LBPRGKRZSA-N 2 0 244.379 0.848 20 0 BCADRP COC[C@H](C)[NH2+]CCN1CC[C@@H](C)C1 ZINC000053389521 348393532 /nfs/dbraw/zinc/39/35/32/348393532.db2.gz RSXYPMZQFCFUPV-MNOVXSKESA-N 2 0 200.326 0.953 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](CCOCC[NH3+])C[C@@H]1C ZINC000595904606 348396028 /nfs/dbraw/zinc/39/60/28/348396028.db2.gz INBXJJJEKDYPII-WDEREUQCSA-N 2 0 244.335 0.093 20 0 BCADRP C[NH2+]CCCN1CCC[C@@]1(COC)C(=O)OC ZINC000595905550 348396428 /nfs/dbraw/zinc/39/64/28/348396428.db2.gz VEJNUYBCNOKAEX-GFCCVEGCSA-N 2 0 244.335 0.250 20 0 BCADRP CSCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000596649164 348604990 /nfs/dbraw/zinc/60/49/90/348604990.db2.gz CCUJGDJJJHABJX-OPRDCNLKSA-N 2 0 218.366 0.691 20 0 BCADRP C[N@H+](C[C@@H]1CCCC[C@H]1O)C1CC([NH3+])C1 ZINC000384812261 490191050 /nfs/dbraw/zinc/19/10/50/490191050.db2.gz CNLNLCKPYDOTJH-WNYYMSAVSA-N 2 0 212.337 0.959 20 0 BCADRP COC[C@H](C)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000308838210 348771161 /nfs/dbraw/zinc/77/11/61/348771161.db2.gz MEAPISFNJGVIIS-WOPDTQHZSA-N 2 0 212.337 0.953 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CC[C@H](C)[NH3+] ZINC000308844656 348852638 /nfs/dbraw/zinc/85/26/38/348852638.db2.gz OTDZPWAJGUNVIT-IUCAKERBSA-N 2 0 201.314 0.213 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CC[C@H](C)[NH3+] ZINC000308844654 348852845 /nfs/dbraw/zinc/85/28/45/348852845.db2.gz OTDZPWAJGUNVIT-DTWKUNHWSA-N 2 0 201.314 0.213 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)[C@H](C)[NH2+]C)CC1 ZINC000054072403 348888774 /nfs/dbraw/zinc/88/87/74/348888774.db2.gz GOPYJPVTVOCTBC-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[NH+](C)C ZINC000237445832 490211209 /nfs/dbraw/zinc/21/12/09/490211209.db2.gz IXMMJYXEPXPYRM-BBBLOLIVSA-N 2 0 213.325 0.145 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000054343497 349006702 /nfs/dbraw/zinc/00/67/02/349006702.db2.gz GWSAVCUXGLBVDN-NSHDSACASA-N 2 0 227.352 0.573 20 0 BCADRP [NH3+]C1(C(=O)NC[C@@H]2CCCC[NH2+]2)CCCCC1 ZINC000237799510 490217979 /nfs/dbraw/zinc/21/79/79/490217979.db2.gz VOQULYACWDWXMP-NSHDSACASA-N 2 0 239.363 0.906 20 0 BCADRP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C[C@H]1CCCN1C ZINC000598993795 349072834 /nfs/dbraw/zinc/07/28/34/349072834.db2.gz PMRGTNSACZUVBQ-WHOHXGKFSA-N 2 0 240.347 0.868 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449573235 201974421 /nfs/dbraw/zinc/97/44/21/201974421.db2.gz PYZCAHIBXDCANG-VLLVSFFDSA-N 2 0 237.347 0.228 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000251703857 349183699 /nfs/dbraw/zinc/18/36/99/349183699.db2.gz XQBVUIIWEPEIPV-AXFHLTTASA-N 2 0 225.336 0.276 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000249141511 349156034 /nfs/dbraw/zinc/15/60/34/349156034.db2.gz ZKWHGYYVPYGPTI-GUBZILKMSA-N 2 0 213.325 0.180 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC000599324076 349156037 /nfs/dbraw/zinc/15/60/37/349156037.db2.gz HAYFFQPPNKJXHF-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000249141509 349156098 /nfs/dbraw/zinc/15/60/98/349156098.db2.gz ZKWHGYYVPYGPTI-BBBLOLIVSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H](C(=O)N1CCC([C@H](C)[NH3+])CC1)[C@H](C)[NH3+] ZINC000248977847 349158748 /nfs/dbraw/zinc/15/87/48/349158748.db2.gz FCQREVOTLDTKQH-UTLUCORTSA-N 2 0 227.352 0.556 20 0 BCADRP CC[C@@H](C)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000251791035 349191219 /nfs/dbraw/zinc/19/12/19/349191219.db2.gz JURYBWYOUHFJQX-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH2+]C ZINC000250368580 349170397 /nfs/dbraw/zinc/17/03/97/349170397.db2.gz VGRAIZYZNVZHKZ-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH2+]C ZINC000250368575 349170435 /nfs/dbraw/zinc/17/04/35/349170435.db2.gz VGRAIZYZNVZHKZ-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000252656561 349209673 /nfs/dbraw/zinc/20/96/73/349209673.db2.gz HVILLWBBZPYXTD-IJLUTSLNSA-N 2 0 239.363 0.620 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH3+] ZINC000308988039 349267144 /nfs/dbraw/zinc/26/71/44/349267144.db2.gz KGNDKIJVEXSDGS-VGMNWLOBSA-N 2 0 201.314 0.213 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000567831502 349306874 /nfs/dbraw/zinc/30/68/74/349306874.db2.gz CDDOWXCQNWRSGD-UMNHJUIQSA-N 2 0 227.352 0.700 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000567831499 349307222 /nfs/dbraw/zinc/30/72/22/349307222.db2.gz CDDOWXCQNWRSGD-FOGDFJRCSA-N 2 0 227.352 0.700 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000567831501 349307265 /nfs/dbraw/zinc/30/72/65/349307265.db2.gz CDDOWXCQNWRSGD-SCVCMEIPSA-N 2 0 227.352 0.700 20 0 BCADRP COCC[N@H+](C)CCNC(=O)CC[NH2+]C(C)C ZINC000061380728 349367968 /nfs/dbraw/zinc/36/79/68/349367968.db2.gz TXJLPOAURVEOTK-UHFFFAOYSA-N 2 0 245.367 0.069 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)CCC[NH3+] ZINC000061645079 349375843 /nfs/dbraw/zinc/37/58/43/349375843.db2.gz NKVSUJBVOYLWPW-JTQLQIEISA-N 2 0 213.325 0.278 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061644917 349376026 /nfs/dbraw/zinc/37/60/26/349376026.db2.gz MGHHWZYNTWMPGB-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061644916 349376071 /nfs/dbraw/zinc/37/60/71/349376071.db2.gz MGHHWZYNTWMPGB-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP CN1CC[C@H]([NH+]2CCC(CC[NH3+])CC2)C1=O ZINC000070583876 350033000 /nfs/dbraw/zinc/03/30/00/350033000.db2.gz AKOFKKQKHFEWCR-NSHDSACASA-N 2 0 225.336 0.278 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CC ZINC000309128078 350078450 /nfs/dbraw/zinc/07/84/50/350078450.db2.gz QKNRZMMCCLXGGF-RKDXNWHRSA-N 2 0 201.314 0.357 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CC ZINC000309128077 350078653 /nfs/dbraw/zinc/07/86/53/350078653.db2.gz QKNRZMMCCLXGGF-DTWKUNHWSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563103442 350056927 /nfs/dbraw/zinc/05/69/27/350056927.db2.gz XIPYCHNHQDRVIN-WCQGTBRESA-N 2 0 237.347 0.480 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000563106917 350062612 /nfs/dbraw/zinc/06/26/12/350062612.db2.gz VJAVNKKNGJOKEX-UWVGGRQHSA-N 2 0 225.336 0.230 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000563106885 350062958 /nfs/dbraw/zinc/06/29/58/350062958.db2.gz QOKQSXADFZVKGR-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP Cn1ccnc1CNC(=O)CC[NH2+]C1CC1 ZINC000070854930 350068914 /nfs/dbraw/zinc/06/89/14/350068914.db2.gz CZCLSDNOKRVJAT-UHFFFAOYSA-N 2 0 222.292 0.178 20 0 BCADRP CCn1ccnc1CN(C)[C@H]1CC[NH2+]C1 ZINC000070896140 350071229 /nfs/dbraw/zinc/07/12/29/350071229.db2.gz NEZGLYNTDMTJHG-JTQLQIEISA-N 2 0 208.309 0.697 20 0 BCADRP Cc1cc(CN(C)CCN2CC[NH2+]CC2)no1 ZINC000071150659 350089468 /nfs/dbraw/zinc/08/94/68/350089468.db2.gz OEOMKCNDRAYOAW-UHFFFAOYSA-N 2 0 238.335 0.320 20 0 BCADRP C[NH2+]CCC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000071184678 350090590 /nfs/dbraw/zinc/09/05/90/350090590.db2.gz MHRRLNXSFJTJAN-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC000422728188 192444379 /nfs/dbraw/zinc/44/43/79/192444379.db2.gz FLZXVFJKGIZCFI-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000422739584 192448997 /nfs/dbraw/zinc/44/89/97/192448997.db2.gz ADKFQFPQJANTLH-SECBINFHSA-N 2 0 234.303 0.239 20 0 BCADRP C[C@H](CNC(=O)C1([NH3+])CCC1)[N@H+](C)C1CC1 ZINC000219973269 350153725 /nfs/dbraw/zinc/15/37/25/350153725.db2.gz RJFNVFRNLDZJQT-SECBINFHSA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)C[C@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000304406794 350155536 /nfs/dbraw/zinc/15/55/36/350155536.db2.gz HYLKHBTWDLCEOI-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449610972 201986417 /nfs/dbraw/zinc/98/64/17/201986417.db2.gz SXGGDLBPMCZFOP-GARJFASQSA-N 2 0 227.352 0.748 20 0 BCADRP Cn1cncc1CCC[N@@H+]1CC[C@@H](O)C1 ZINC000313986198 350166816 /nfs/dbraw/zinc/16/68/16/350166816.db2.gz JSZSQAJOJNPXNE-LLVKDONJSA-N 2 0 209.293 0.419 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC(F)(F)CN ZINC000427152004 191055267 /nfs/dbraw/zinc/05/52/67/191055267.db2.gz GWLQCLQYJAINGA-VIFPVBQESA-N 2 0 249.305 0.571 20 0 BCADRP C[C@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000427279830 191058426 /nfs/dbraw/zinc/05/84/26/191058426.db2.gz GSIOMMVQJGYHCQ-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000427279834 191059086 /nfs/dbraw/zinc/05/90/86/191059086.db2.gz GSIOMMVQJGYHCQ-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCC[NH3+])C1 ZINC000236812062 191060755 /nfs/dbraw/zinc/06/07/55/191060755.db2.gz KCZYNZJQDBDRRI-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427368996 191060802 /nfs/dbraw/zinc/06/08/02/191060802.db2.gz ZLTGCMVFHVAWDM-NEPJUHHUSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427368999 191060946 /nfs/dbraw/zinc/06/09/46/191060946.db2.gz ZLTGCMVFHVAWDM-VXGBXAGGSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000236728718 191061007 /nfs/dbraw/zinc/06/10/07/191061007.db2.gz GEMXMSIMORSQGY-UWVGGRQHSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000040923618 191062884 /nfs/dbraw/zinc/06/28/84/191062884.db2.gz XVMCPHYJQZTEJK-VIFPVBQESA-N 2 0 211.309 0.030 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+](C)C ZINC000427565302 191081629 /nfs/dbraw/zinc/08/16/29/191081629.db2.gz NDTDFJYDKSSMBD-WOPDTQHZSA-N 2 0 241.379 0.687 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000427615011 191084616 /nfs/dbraw/zinc/08/46/16/191084616.db2.gz ZCKODAPEEOZPPS-SCVCMEIPSA-N 2 0 225.336 0.100 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]1CCC[NH2+]1)[C@@H](C)[NH3+] ZINC000422788748 192465249 /nfs/dbraw/zinc/46/52/49/192465249.db2.gz RJBNHDYSICVBQR-MXWKQRLJSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000309340066 350322839 /nfs/dbraw/zinc/32/28/39/350322839.db2.gz KWGDNPRBZNAXKU-LLVKDONJSA-N 2 0 213.325 0.169 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000309393048 350367186 /nfs/dbraw/zinc/36/71/86/350367186.db2.gz GEWWQFKXAMPQAV-LPEHRKFASA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000309396292 350367271 /nfs/dbraw/zinc/36/72/71/350367271.db2.gz GPWMGWKRTOLLAK-VHSXEESVSA-N 2 0 213.325 0.087 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000309396291 350367762 /nfs/dbraw/zinc/36/77/62/350367762.db2.gz GPWMGWKRTOLLAK-UWVGGRQHSA-N 2 0 213.325 0.087 20 0 BCADRP CCOC[C@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000069276999 350351370 /nfs/dbraw/zinc/35/13/70/350351370.db2.gz PBMYVMOYTSVMFE-CYBMUJFWSA-N 2 0 244.379 0.657 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000309374115 350362361 /nfs/dbraw/zinc/36/23/61/350362361.db2.gz CLAIRBCCZXSPOU-ZJUUUORDSA-N 2 0 213.325 0.311 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000571677259 323325039 /nfs/dbraw/zinc/32/50/39/323325039.db2.gz VUPPNBFVGAMTEG-VWYCJHECSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](CCOCC[NH3+])CC1 ZINC000309387388 350366969 /nfs/dbraw/zinc/36/69/69/350366969.db2.gz FFCNBARMEJDWNJ-SNVBAGLBSA-N 3 0 215.341 0.021 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]([NH3+])CC(F)F ZINC000309414154 350377901 /nfs/dbraw/zinc/37/79/01/350377901.db2.gz IZHJBWFAAKYGBU-SSDOTTSWSA-N 2 0 223.267 0.085 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)CC1([NH3+])CCC1 ZINC000126373781 490492364 /nfs/dbraw/zinc/49/23/64/490492364.db2.gz DJFHXRRTBBXBOG-VIFPVBQESA-N 2 0 211.309 0.078 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@H](C)[NH+](C)C ZINC000069839631 350413291 /nfs/dbraw/zinc/41/32/91/350413291.db2.gz FVVCLOQAAGLVKV-IUCAKERBSA-N 2 0 201.314 0.180 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)CC[C@H](C)[NH3+] ZINC000069840100 350416985 /nfs/dbraw/zinc/41/69/85/350416985.db2.gz VBHWHSHVJLRWTL-QWRGUYRKSA-N 2 0 229.368 0.960 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NCC[NH2+]C1CC1 ZINC000637339208 350464793 /nfs/dbraw/zinc/46/47/93/350464793.db2.gz HVCPKRNGCXCIBP-SECBINFHSA-N 2 0 228.340 0.036 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC(=O)NCC[NH2+]C2CC2)C1 ZINC000637339585 350465479 /nfs/dbraw/zinc/46/54/79/350465479.db2.gz KCDSLMNUHLRGBG-ONGXEEELSA-N 2 0 240.351 0.308 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NCC[NH2+]C1CC1 ZINC000637340078 350465801 /nfs/dbraw/zinc/46/58/01/350465801.db2.gz OVUPDGABUILZQG-SNVBAGLBSA-N 2 0 228.340 0.021 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)NCC[NH2+]C2CC2)C1 ZINC000637339582 350465950 /nfs/dbraw/zinc/46/59/50/350465950.db2.gz KCDSLMNUHLRGBG-GXSJLCMTSA-N 2 0 240.351 0.308 20 0 BCADRP CC(C)[NH+]1CCC([NH2+]CCCOCCO)CC1 ZINC000227878567 350517610 /nfs/dbraw/zinc/51/76/10/350517610.db2.gz MLRZIRNOURAWOE-UHFFFAOYSA-N 2 0 244.379 0.848 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000309450425 350499578 /nfs/dbraw/zinc/49/95/78/350499578.db2.gz MJDIEIRMOXFILO-JTQLQIEISA-N 2 0 213.325 0.228 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000577486975 365965554 /nfs/dbraw/zinc/96/55/54/365965554.db2.gz SNPIVMSNWWRZRP-NSHDSACASA-N 2 0 242.367 0.494 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000577499459 365970231 /nfs/dbraw/zinc/97/02/31/365970231.db2.gz LSOOLYDMATUIAS-VHSXEESVSA-N 2 0 200.326 0.999 20 0 BCADRP CO[C@H](C[NH3+])C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000577501936 365970354 /nfs/dbraw/zinc/97/03/54/365970354.db2.gz VZBUHCGBJOCHIW-GZMMTYOYSA-N 2 0 237.303 0.619 20 0 BCADRP CO[C@@H](C[NH3+])C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000577501937 365970728 /nfs/dbraw/zinc/97/07/28/365970728.db2.gz VZBUHCGBJOCHIW-KCJUWKMLSA-N 2 0 237.303 0.619 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000163562021 350527213 /nfs/dbraw/zinc/52/72/13/350527213.db2.gz SSJYOSWTJZRVBR-LLVKDONJSA-N 2 0 231.315 0.144 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H](C)CCCC[NH3+] ZINC000380148766 350565029 /nfs/dbraw/zinc/56/50/29/350565029.db2.gz ADRMZPPVZGJUPK-VIFPVBQESA-N 2 0 201.314 0.230 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000309416890 323395365 /nfs/dbraw/zinc/39/53/65/323395365.db2.gz JIPUJVBLDWQFOJ-ATZCPNFKSA-N 2 0 213.325 0.167 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000222672489 490653388 /nfs/dbraw/zinc/65/33/88/490653388.db2.gz SBKLSHBXDRZFQL-GHMZBOCLSA-N 2 0 227.352 0.618 20 0 BCADRP COC[C@H](C)C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000571055309 350726344 /nfs/dbraw/zinc/72/63/44/350726344.db2.gz STVUEFWDUWBGOS-MNOVXSKESA-N 2 0 200.326 0.858 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)CC[NH2+]C1CC1 ZINC000564101078 323428845 /nfs/dbraw/zinc/42/88/45/323428845.db2.gz WZPSXNIHHPQODT-NSHDSACASA-N 2 0 227.352 0.762 20 0 BCADRP CO[C@](C)(CO)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623560508 362985710 /nfs/dbraw/zinc/98/57/10/362985710.db2.gz IHURTUHCVQMZSY-YPMHNXCESA-N 2 0 244.379 0.846 20 0 BCADRP C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)O1 ZINC000398024147 362987121 /nfs/dbraw/zinc/98/71/21/362987121.db2.gz GDYZERJSKBFWRI-UPJWGTAASA-N 2 0 242.363 0.600 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000577608628 366015891 /nfs/dbraw/zinc/01/58/91/366015891.db2.gz XJFCSWPWHACEBG-DMDPSCGWSA-N 2 0 239.363 0.572 20 0 BCADRP CNC(=O)CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000398309993 351024410 /nfs/dbraw/zinc/02/44/10/351024410.db2.gz XHDGAHLFBDFAAK-VHSXEESVSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000079520681 351071275 /nfs/dbraw/zinc/07/12/75/351071275.db2.gz RYBNISQZNQGOKY-MFKMUULPSA-N 2 0 237.347 0.481 20 0 BCADRP CN(C(=O)CC1([NH3+])CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000398111775 363012416 /nfs/dbraw/zinc/01/24/16/363012416.db2.gz XKYJKQXKHKSARV-LLVKDONJSA-N 2 0 237.347 0.420 20 0 BCADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH2+]1 ZINC000404930920 351266088 /nfs/dbraw/zinc/26/60/88/351266088.db2.gz LUWUKVXBZNBWMS-WDEREUQCSA-N 2 0 225.336 0.291 20 0 BCADRP COCC[C@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000380187382 351381400 /nfs/dbraw/zinc/38/14/00/351381400.db2.gz PLSPYENFXPVFQE-STQMWFEESA-N 2 0 241.379 0.391 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)CC1([NH3+])CCC1 ZINC000094295364 487527540 /nfs/dbraw/zinc/52/75/40/487527540.db2.gz PZKVHMFLOOFNQG-NSHDSACASA-N 2 0 239.363 0.811 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000094295240 487527552 /nfs/dbraw/zinc/52/75/52/487527552.db2.gz GNKDJQSRJOPHOV-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]C1(C(=O)NCCC[NH+]2CCCC2)CCC1 ZINC000088050213 351533263 /nfs/dbraw/zinc/53/32/63/351533263.db2.gz HHNPBFKROZGINY-UHFFFAOYSA-N 2 0 225.336 0.470 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(CC)CC[NH3+] ZINC000626966801 363065807 /nfs/dbraw/zinc/06/58/07/363065807.db2.gz ZRWGEKFHCSLZQQ-NSHDSACASA-N 2 0 244.383 0.707 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](O)C2)CC[NH2+]1 ZINC000414671138 351578235 /nfs/dbraw/zinc/57/82/35/351578235.db2.gz NDDPGACTUJRPSF-UTUOFQBUSA-N 2 0 212.337 0.831 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000577637035 366028584 /nfs/dbraw/zinc/02/85/84/366028584.db2.gz GOUAWTHSDBZGHT-USZNOCQGSA-N 2 0 237.347 0.467 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000637801915 351633911 /nfs/dbraw/zinc/63/39/11/351633911.db2.gz JNHZMUZFCGCTTI-NXEZZACHSA-N 2 0 213.325 0.310 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC000637802719 351634249 /nfs/dbraw/zinc/63/42/49/351634249.db2.gz TUOKLTARTRTAPZ-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@H]([NH3+])CCC(C)C)C1 ZINC000637802737 351635358 /nfs/dbraw/zinc/63/53/58/351635358.db2.gz UBCPXUBNRWEICV-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)NC2CCC([NH3+])CC2)C1 ZINC000637821140 351661507 /nfs/dbraw/zinc/66/15/07/351661507.db2.gz SUZSPSRXCRSADV-HSOILSAZSA-N 2 0 223.320 0.420 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)NC2CCC([NH3+])CC2)C1 ZINC000637821141 351661575 /nfs/dbraw/zinc/66/15/75/351661575.db2.gz SUZSPSRXCRSADV-YVNMAJEFSA-N 2 0 223.320 0.420 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000637803260 351638850 /nfs/dbraw/zinc/63/88/50/351638850.db2.gz BPLDSSKEINGUEM-WDEREUQCSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)c1nccn1CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000637803041 351638966 /nfs/dbraw/zinc/63/89/66/351638966.db2.gz XEYGZSGHNGPVRI-SNVBAGLBSA-N 2 0 236.319 0.566 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000637803258 351639081 /nfs/dbraw/zinc/63/90/81/351639081.db2.gz BPLDSSKEINGUEM-MNOVXSKESA-N 2 0 227.352 0.618 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC1CC[NH2+]CC1 ZINC000637805837 351642215 /nfs/dbraw/zinc/64/22/15/351642215.db2.gz QXECWISGARHFKJ-VIFPVBQESA-N 2 0 213.325 0.100 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]([NH3+])CCC(C)C ZINC000637809364 351646253 /nfs/dbraw/zinc/64/62/53/351646253.db2.gz VYIBCSXRPVJJNH-LLVKDONJSA-N 2 0 229.368 0.866 20 0 BCADRP CN(C(=O)C1=CC[C@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000637808636 351647303 /nfs/dbraw/zinc/64/73/03/351647303.db2.gz DMMCOKVBGNBUDP-JTQLQIEISA-N 2 0 223.320 0.244 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000637811922 351647345 /nfs/dbraw/zinc/64/73/45/351647345.db2.gz SOUXUEWQBSNPQL-VHSXEESVSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H](C(=O)NC[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000637813857 351657782 /nfs/dbraw/zinc/65/77/82/351657782.db2.gz FRRALLXKUZOHAX-ZJUUUORDSA-N 2 0 213.325 0.052 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000637814163 351659280 /nfs/dbraw/zinc/65/92/80/351659280.db2.gz IPXFAIDEWRJMJL-UWVGGRQHSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH+](C)CC1(C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000637819143 351659967 /nfs/dbraw/zinc/65/99/67/351659967.db2.gz LRYWTHRETQVXAY-UHFFFAOYSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000637820470 351660828 /nfs/dbraw/zinc/66/08/28/351660828.db2.gz OERKTNADVBWJLP-GMTAPVOTSA-N 2 0 227.352 0.489 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637829935 351678703 /nfs/dbraw/zinc/67/87/03/351678703.db2.gz XVGKMGBOGZGDFD-LLVKDONJSA-N 2 0 225.336 0.538 20 0 BCADRP CCCN(C(=O)[C@@H](C)[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000637831824 351680990 /nfs/dbraw/zinc/68/09/90/351680990.db2.gz CPKBTYSUMLBHRC-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP CCCN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000637832815 351682040 /nfs/dbraw/zinc/68/20/40/351682040.db2.gz NMQRYVOMXAWQMF-NEPJUHHUSA-N 2 0 237.347 0.634 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000637833610 351684219 /nfs/dbraw/zinc/68/42/19/351684219.db2.gz UVDGVVURZACQBX-ONGXEEELSA-N 2 0 221.304 0.540 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000637834371 351689078 /nfs/dbraw/zinc/68/90/78/351689078.db2.gz DHWXOAHHSMEVJZ-KOLCDFICSA-N 2 0 223.320 0.102 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NC2(C[NH3+])CCCC2)C1 ZINC000637839269 351689632 /nfs/dbraw/zinc/68/96/32/351689632.db2.gz ILKKLULTARKOAY-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000637838799 351694123 /nfs/dbraw/zinc/69/41/23/351694123.db2.gz CGAYZHVROINPLE-LPEHRKFASA-N 2 0 213.325 0.193 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H](C)[NH2+]1 ZINC000637840089 351694759 /nfs/dbraw/zinc/69/47/59/351694759.db2.gz NBNNLTKXYJDKOY-UKKRHICBSA-N 2 0 248.330 0.722 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H](C)[NH2+]1 ZINC000637840609 351695534 /nfs/dbraw/zinc/69/55/34/351695534.db2.gz PMVJPALTVUUIQP-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H](C)[NH2+]1 ZINC000637841556 351697059 /nfs/dbraw/zinc/69/70/59/351697059.db2.gz SXXSTAJWGXFSRI-QWRGUYRKSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H](C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[NH+](C)C ZINC000637841619 351697454 /nfs/dbraw/zinc/69/74/54/351697454.db2.gz UIURYZPBPUXVLX-OPRDCNLKSA-N 2 0 213.325 0.145 20 0 BCADRP C[C@H](C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)[NH+](C)C ZINC000637841617 351697722 /nfs/dbraw/zinc/69/77/22/351697722.db2.gz UIURYZPBPUXVLX-LPEHRKFASA-N 2 0 213.325 0.145 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC1(C[NH3+])CCCC1 ZINC000637842067 351698197 /nfs/dbraw/zinc/69/81/97/351698197.db2.gz XHQBBGHTTFMZJT-SECBINFHSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000637842353 351699029 /nfs/dbraw/zinc/69/90/29/351699029.db2.gz QPHMLZULCGAKQZ-UWVGGRQHSA-N 2 0 213.325 0.134 20 0 BCADRP Cc1nc[nH]c1CC(=O)N[C@H](C[NH3+])CC(C)C ZINC000637844402 351699723 /nfs/dbraw/zinc/69/97/23/351699723.db2.gz NGDOVECNFPOPMN-JTQLQIEISA-N 2 0 238.335 0.750 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC000637845216 351700524 /nfs/dbraw/zinc/70/05/24/351700524.db2.gz VNOPTZIDDWFSSA-SNVBAGLBSA-N 2 0 229.368 0.770 20 0 BCADRP CC[C@H](C(=O)N[C@@H](C[NH3+])CC(C)C)[NH+](C)C ZINC000637842927 351701697 /nfs/dbraw/zinc/70/16/97/351701697.db2.gz BASQMLKKOUEIMN-GHMZBOCLSA-N 2 0 229.368 0.816 20 0 BCADRP CC[C@H](C(=O)N[C@H](C[NH3+])CC(C)C)[NH+](C)C ZINC000637842930 351701791 /nfs/dbraw/zinc/70/17/91/351701791.db2.gz BASQMLKKOUEIMN-WDEREUQCSA-N 2 0 229.368 0.816 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000637843598 351702248 /nfs/dbraw/zinc/70/22/48/351702248.db2.gz XWBFKANOLGIDJL-JTQLQIEISA-N 2 0 225.336 0.668 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000637843772 351703138 /nfs/dbraw/zinc/70/31/38/351703138.db2.gz HEJBIJPOWPLNCE-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]1CCCN(C(=O)CCC2C[NH2+]C2)[C@H]1C[NH3+] ZINC000637847692 351703917 /nfs/dbraw/zinc/70/39/17/351703917.db2.gz OPQFPEGJBQIIRN-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](C)[NH+](C)C ZINC000637847795 351703940 /nfs/dbraw/zinc/70/39/40/351703940.db2.gz DHFLAVDYCQDNOU-BDAKNGLRSA-N 2 0 201.314 0.036 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000637847428 351705129 /nfs/dbraw/zinc/70/51/29/351705129.db2.gz ABHJHEOLODYORG-JQWIXIFHSA-N 2 0 229.368 0.864 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000577720083 366042812 /nfs/dbraw/zinc/04/28/12/366042812.db2.gz XVIIIANAQISBSX-VPOLOUISSA-N 2 0 227.352 0.556 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000637824716 351664735 /nfs/dbraw/zinc/66/47/35/351664735.db2.gz PVKAIGJGOFMVRL-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000637825345 351665840 /nfs/dbraw/zinc/66/58/40/351665840.db2.gz VCINUKGHCANGBA-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000637825564 351665924 /nfs/dbraw/zinc/66/59/24/351665924.db2.gz XKGSVXWBXHQIHL-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000637822188 351666469 /nfs/dbraw/zinc/66/64/69/351666469.db2.gz HGTBKCSVEZJZGS-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000637822187 351666733 /nfs/dbraw/zinc/66/67/33/351666733.db2.gz HGTBKCSVEZJZGS-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000637822573 351667556 /nfs/dbraw/zinc/66/75/56/351667556.db2.gz LCXDIABYOARGCC-WDEREUQCSA-N 2 0 227.352 0.557 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000577731833 366046742 /nfs/dbraw/zinc/04/67/42/366046742.db2.gz VMIQDQLNCBEUDH-MXWKQRLJSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC000637828686 351676587 /nfs/dbraw/zinc/67/65/87/351676587.db2.gz IDKKYOXVPABBAB-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000637860878 351722257 /nfs/dbraw/zinc/72/22/57/351722257.db2.gz DWOOPYBNHCTRBJ-MNOVXSKESA-N 2 0 229.368 0.816 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]C)[NH+](C)C ZINC000637862228 351723003 /nfs/dbraw/zinc/72/30/03/351723003.db2.gz MLYPXAVWILKPHF-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]C)[NH+](C)C ZINC000637862230 351723127 /nfs/dbraw/zinc/72/31/27/351723127.db2.gz MLYPXAVWILKPHF-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H](CNC(=O)[C@H](C)[NH+](C)C)C[NH+]1CCCC1 ZINC000674245970 487535721 /nfs/dbraw/zinc/53/57/21/487535721.db2.gz ZHAOTRRKLAJMSZ-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000626986083 363084452 /nfs/dbraw/zinc/08/44/52/363084452.db2.gz ADMLFSCBNCVFTH-GMTAPVOTSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1[NH3+] ZINC000637848207 351708324 /nfs/dbraw/zinc/70/83/24/351708324.db2.gz NHBFUXZAJAKTTP-GHMZBOCLSA-N 2 0 239.363 0.524 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])[NH+](C)C ZINC000637850745 351708333 /nfs/dbraw/zinc/70/83/33/351708333.db2.gz CAOWZOSJFCGXCJ-GRYCIOLGSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@H]([NH3+])C(C)C ZINC000637851074 351708352 /nfs/dbraw/zinc/70/83/52/351708352.db2.gz YFLUVIBENVVUOF-IUCAKERBSA-N 2 0 201.314 0.084 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000637851143 351709749 /nfs/dbraw/zinc/70/97/49/351709749.db2.gz YXSZVKSZFGPGTG-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000637852486 351710951 /nfs/dbraw/zinc/71/09/51/351710951.db2.gz WDUCIXRQCAHMRU-JQWIXIFHSA-N 2 0 225.336 0.524 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000637852299 351711335 /nfs/dbraw/zinc/71/13/35/351711335.db2.gz MUBLQCPVTOXBLR-GMTAPVOTSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@H](C(=O)N[C@H](C[NH3+])C1CC1)[NH+](C)C ZINC000637854128 351713273 /nfs/dbraw/zinc/71/32/73/351713273.db2.gz DKOBTHMEOADOKD-NXEZZACHSA-N 2 0 213.325 0.180 20 0 BCADRP C[N@H+](CC(=O)N[C@@H](C[NH3+])C1CC1)CC(C)(C)C ZINC000637854736 351713964 /nfs/dbraw/zinc/71/39/64/351713964.db2.gz FGKHLUFVAGPXRQ-NSHDSACASA-N 2 0 241.379 0.818 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023893 358466502 /nfs/dbraw/zinc/46/65/02/358466502.db2.gz BOLWRWIITSUELP-SDDRHHMPSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000577847410 366081724 /nfs/dbraw/zinc/08/17/24/366081724.db2.gz NELCXGVXVVPYQX-DJLDLDEBSA-N 2 0 216.329 0.149 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC[C@H](C[NH3+])C1)[C@@H](C)[NH3+] ZINC000577848382 366081788 /nfs/dbraw/zinc/08/17/88/366081788.db2.gz SVVZMBCBXJKAPE-UTUOFQBUSA-N 2 0 241.379 0.803 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC[NH+](CC)CC ZINC000638047614 351924376 /nfs/dbraw/zinc/92/43/76/351924376.db2.gz RROSPYWOSTYVQJ-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP CC[NH+](CC)CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638045928 351925081 /nfs/dbraw/zinc/92/50/81/351925081.db2.gz BSURXWSHWXWHIR-NSHDSACASA-N 2 0 225.336 0.492 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000638047435 351926544 /nfs/dbraw/zinc/92/65/44/351926544.db2.gz HNNXLYMZAPJZRO-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NC1CC[NH+](C)CC1 ZINC000638049937 351927400 /nfs/dbraw/zinc/92/74/00/351927400.db2.gz ITSSCZNFFWIAFX-GFCCVEGCSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+](C)CCCNC(=O)CCC1C[NH2+]C1 ZINC000638048902 351928396 /nfs/dbraw/zinc/92/83/96/351928396.db2.gz WLYSVOSUKUISLX-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC1CC[NH+](C)CC1 ZINC000638050673 351929216 /nfs/dbraw/zinc/92/92/16/351929216.db2.gz QWIYWTHGNGEXAW-SECBINFHSA-N 2 0 213.325 0.195 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC1CC[NH+](C)CC1 ZINC000638050674 351929348 /nfs/dbraw/zinc/92/93/48/351929348.db2.gz QWIYWTHGNGEXAW-VIFPVBQESA-N 2 0 213.325 0.195 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC1CC[NH+](CC)CC1 ZINC000638052075 351929566 /nfs/dbraw/zinc/92/95/66/351929566.db2.gz WHRWQOPWVBIBNT-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC000638053174 351931227 /nfs/dbraw/zinc/93/12/27/351931227.db2.gz GPUFHWPZMSZPHE-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP O=C(CCC1C[NH2+]C1)NCCC[NH+]1CCCC1 ZINC000638055659 351931940 /nfs/dbraw/zinc/93/19/40/351931940.db2.gz USEAQTVTSIGANX-UHFFFAOYSA-N 2 0 239.363 0.588 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCCC[NH+]1CCCCC1 ZINC000638056109 351932914 /nfs/dbraw/zinc/93/29/14/351932914.db2.gz WEDNDBQKYKIWOI-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000638059781 351933305 /nfs/dbraw/zinc/93/33/05/351933305.db2.gz XCUWMRBXDLCZJO-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C[NH+](C)CCCCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638065911 351936876 /nfs/dbraw/zinc/93/68/76/351936876.db2.gz CMJOVMGMRQIPPM-NSHDSACASA-N 2 0 225.336 0.492 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000638071933 351943200 /nfs/dbraw/zinc/94/32/00/351943200.db2.gz IJINOKZVCISONS-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000638071651 351943647 /nfs/dbraw/zinc/94/36/47/351943647.db2.gz HAVPFXRCZISNTB-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000638071076 351943776 /nfs/dbraw/zinc/94/37/76/351943776.db2.gz ZSIIGIZUIVIOAM-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP CCC[NH+]1CCC(N(C)C(=O)C[NH+](C)C)CC1 ZINC000340109310 351908362 /nfs/dbraw/zinc/90/83/62/351908362.db2.gz UIQWSRCFSUPKQZ-UHFFFAOYSA-N 2 0 241.379 0.881 20 0 BCADRP CCC[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638144762 352007605 /nfs/dbraw/zinc/00/76/05/352007605.db2.gz FKPGQVULQWAJOZ-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP C[C@H](C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[NH+](C)C ZINC000638145313 352008369 /nfs/dbraw/zinc/00/83/69/352008369.db2.gz KMVRQVVQDLGGPQ-AEJSXWLSSA-N 2 0 213.325 0.132 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000638076622 351949512 /nfs/dbraw/zinc/94/95/12/351949512.db2.gz ZQLGWTHJSWBWOZ-UTUOFQBUSA-N 2 0 239.363 0.727 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)CCC1C[NH2+]C1 ZINC000638077677 351950840 /nfs/dbraw/zinc/95/08/40/351950840.db2.gz VIJRTNIJBBMKCD-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@H](C)[NH+](C)C ZINC000638080230 351953350 /nfs/dbraw/zinc/95/33/50/351953350.db2.gz MYVHYGXIYQYAMO-DTWKUNHWSA-N 2 0 201.314 0.051 20 0 BCADRP C[N@H+](CCNC(=O)C1=CC[C@@H]([NH3+])C1)C1CC1 ZINC000638082221 351955361 /nfs/dbraw/zinc/95/53/61/351955361.db2.gz GFTCFOMRDUYBNV-SNVBAGLBSA-N 2 0 223.320 0.244 20 0 BCADRP C[NH+](C)CC1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000083835022 351955374 /nfs/dbraw/zinc/95/53/74/351955374.db2.gz NIIKUKXQMUWJEQ-UHFFFAOYSA-N 2 0 225.336 0.278 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000638083357 351958417 /nfs/dbraw/zinc/95/84/17/351958417.db2.gz IXCJBELVNAUASE-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000638085591 351961753 /nfs/dbraw/zinc/96/17/53/351961753.db2.gz RQWPQWBMXAXVAN-UWVGGRQHSA-N 2 0 215.341 0.441 20 0 BCADRP O=C(CCC1C[NH2+]C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000638086475 351963697 /nfs/dbraw/zinc/96/36/97/351963697.db2.gz ZLHUWFXNPRWABT-NSHDSACASA-N 2 0 237.347 0.339 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000638090885 351968545 /nfs/dbraw/zinc/96/85/45/351968545.db2.gz INFANLWUBNSMLS-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000638094337 351974738 /nfs/dbraw/zinc/97/47/38/351974738.db2.gz HKBJALLZVGABOM-CHWSQXEVSA-N 2 0 249.358 0.731 20 0 BCADRP CC[N@H+](CCNC(=O)CCC1C[NH2+]C1)C1CC1 ZINC000638097230 351977549 /nfs/dbraw/zinc/97/75/49/351977549.db2.gz RTZINBLVOLZCQN-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000154539315 535169572 /nfs/dbraw/zinc/16/95/72/535169572.db2.gz GSSOCHBKQMQKEL-VIFPVBQESA-N 2 0 201.314 0.086 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000638099653 351979543 /nfs/dbraw/zinc/97/95/43/351979543.db2.gz CWSQONBTUPTTSR-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000638099648 351979840 /nfs/dbraw/zinc/97/98/40/351979840.db2.gz IHNCOKFFUPMEKK-QWHCGFSZSA-N 2 0 249.358 0.634 20 0 BCADRP C[C@@H](CNC(=O)CCC1C[NH2+]C1)[N@H+](C)C1CC1 ZINC000638099672 351980015 /nfs/dbraw/zinc/98/00/15/351980015.db2.gz DAMYBKDBYRNKES-JTQLQIEISA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+](C)CC1(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000638151938 352012638 /nfs/dbraw/zinc/01/26/38/352012638.db2.gz BIDZOUMXWIOGFM-SNVBAGLBSA-N 2 0 225.336 0.182 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000638126912 351998067 /nfs/dbraw/zinc/99/80/67/351998067.db2.gz RNLCDWRRNNYSAO-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000638130639 352000238 /nfs/dbraw/zinc/00/02/38/352000238.db2.gz LZAGNIBJLSFUQT-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638134476 352002921 /nfs/dbraw/zinc/00/29/21/352002921.db2.gz NODKZHRWUAEHRF-IRUJWGPZSA-N 2 0 249.358 0.633 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C1 ZINC000638138347 352003649 /nfs/dbraw/zinc/00/36/49/352003649.db2.gz CQZJFZZJRLHGMC-ZYHUDNBSSA-N 2 0 235.331 0.387 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000638143728 352006164 /nfs/dbraw/zinc/00/61/64/352006164.db2.gz JGPIMGOKULPICJ-LLVKDONJSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638182403 352049122 /nfs/dbraw/zinc/04/91/22/352049122.db2.gz XIGDGKRGJUFEMG-MWLCHTKSSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638182399 352049238 /nfs/dbraw/zinc/04/92/38/352049238.db2.gz XIGDGKRGJUFEMG-GXSJLCMTSA-N 2 0 225.336 0.100 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000638196141 352059994 /nfs/dbraw/zinc/05/99/94/352059994.db2.gz WEUOYLNWMJBZJE-UWVGGRQHSA-N 2 0 213.325 0.243 20 0 BCADRP CC[C@H]1CN(C(=O)[C@@H](C)[NH+](C)C)CC[C@@H]1[NH3+] ZINC000638201072 352061976 /nfs/dbraw/zinc/06/19/76/352061976.db2.gz ARBKMCWWZWTVSJ-VWYCJHECSA-N 2 0 227.352 0.522 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000638199133 352062279 /nfs/dbraw/zinc/06/22/79/352062279.db2.gz PFBBRDKTFDDFMD-VWYCJHECSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000638199077 352062363 /nfs/dbraw/zinc/06/23/63/352062363.db2.gz GUXCDQNPTSXRPJ-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638199877 352063134 /nfs/dbraw/zinc/06/31/34/352063134.db2.gz GCAZKZQJFCOZAW-MIMYLULJSA-N 2 0 223.320 0.148 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000638199571 352063408 /nfs/dbraw/zinc/06/34/08/352063408.db2.gz DDBZLTZIFNJQAQ-WOPDTQHZSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC000638204088 352065879 /nfs/dbraw/zinc/06/58/79/352065879.db2.gz IJIHXNGGDJRYNM-SRVKXCTJSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H](C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)[NH+](C)C ZINC000638207111 352069575 /nfs/dbraw/zinc/06/95/75/352069575.db2.gz XZIQPEUJTYWJCJ-LPEHRKFASA-N 2 0 213.325 0.145 20 0 BCADRP C[C@H](C(=O)NC1(C)CC[NH2+]CC1)[NH+](C)C ZINC000638208248 352070843 /nfs/dbraw/zinc/07/08/43/352070843.db2.gz RNLUGRSTWQQMTE-SECBINFHSA-N 2 0 213.325 0.195 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N[C@H](C)CC[NH3+] ZINC000638152702 352016746 /nfs/dbraw/zinc/01/67/46/352016746.db2.gz BCFLJTKZEZFIOQ-MRVPVSSYSA-N 2 0 225.292 0.514 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638155424 352018190 /nfs/dbraw/zinc/01/81/90/352018190.db2.gz JTOQEBFDVZPJKE-LSJOCFKGSA-N 2 0 223.320 0.230 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C12CCC[NH+](CCC1)C2 ZINC000638156709 352019632 /nfs/dbraw/zinc/01/96/32/352019632.db2.gz QECOQFWTOUAMRE-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638156319 352019747 /nfs/dbraw/zinc/01/97/47/352019747.db2.gz NJGCCWOZRMJORM-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C[N@H+](C)CC(C)(C)C ZINC000638156720 352020574 /nfs/dbraw/zinc/02/05/74/352020574.db2.gz QJYLXGOJQXREHE-SNVBAGLBSA-N 2 0 229.368 0.818 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000638158397 352022375 /nfs/dbraw/zinc/02/23/75/352022375.db2.gz ZSXAVZPPJPECMH-WOPDTQHZSA-N 2 0 241.379 0.946 20 0 BCADRP CC[C@H](C(=O)N1C[C@H](C)[NH2+]C[C@H]1C)[NH+](C)C ZINC000638157981 352022496 /nfs/dbraw/zinc/02/24/96/352022496.db2.gz NMKACZUHXLBWTA-HBNTYKKESA-N 2 0 227.352 0.535 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000638158807 352022869 /nfs/dbraw/zinc/02/28/69/352022869.db2.gz STRQBHCYPNCXAA-UTUOFQBUSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000638158027 352025672 /nfs/dbraw/zinc/02/56/72/352025672.db2.gz NYHPJJBRTAPWEH-SRVKXCTJSA-N 2 0 241.379 0.959 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000638158060 352025828 /nfs/dbraw/zinc/02/58/28/352025828.db2.gz OKEZAPSUGHJCQJ-BBBLOLIVSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H](C(=O)NC[C@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000638161896 352026477 /nfs/dbraw/zinc/02/64/77/352026477.db2.gz AYWLXWOONCQXKI-ZYHUDNBSSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH+](C)CC1(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000638162650 352027368 /nfs/dbraw/zinc/02/73/68/352027368.db2.gz UNDWWGRIQZBLTH-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)C[NH2+]1 ZINC000638160882 352028314 /nfs/dbraw/zinc/02/83/14/352028314.db2.gz ZVEHCJJRTQOPDS-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)NCC2([NH3+])CCC2)C1 ZINC000638161253 352028782 /nfs/dbraw/zinc/02/87/82/352028782.db2.gz QGCJLSRZPZGRNI-SECBINFHSA-N 2 0 209.293 0.032 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000638165091 352029805 /nfs/dbraw/zinc/02/98/05/352029805.db2.gz OOIMSMYSOIKTNU-WRWGMCAJSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000638210504 352073687 /nfs/dbraw/zinc/07/36/87/352073687.db2.gz ICZWSOPVEQWTFP-KXUCPTDWSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](C)C[NH3+] ZINC000638170302 352034507 /nfs/dbraw/zinc/03/45/07/352034507.db2.gz IYLLGUBZCMOATM-BDAKNGLRSA-N 2 0 201.314 0.213 20 0 BCADRP CCc1c[nH]c(CC(=O)NCC(F)(F)CN)n1 ZINC000638174126 352036890 /nfs/dbraw/zinc/03/68/90/352036890.db2.gz JXIUOQWDAYCTPC-UHFFFAOYSA-N 2 0 246.261 0.225 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000638173015 352040170 /nfs/dbraw/zinc/04/01/70/352040170.db2.gz ZAFOGMWEFPVFFC-ZYHUDNBSSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ncnn2C)C1 ZINC000083970075 352118872 /nfs/dbraw/zinc/11/88/72/352118872.db2.gz RCXLZYDNUFDCBQ-NXEZZACHSA-N 2 0 223.324 0.374 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H](C)[NH3+] ZINC000638211308 352077119 /nfs/dbraw/zinc/07/71/19/352077119.db2.gz PRSXNGKMNKLIBK-IUCAKERBSA-N 2 0 201.314 0.213 20 0 BCADRP CC[C@H](C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C)[NH+](C)C ZINC000638222086 352081531 /nfs/dbraw/zinc/08/15/31/352081531.db2.gz ITIRYPNKBHXBCI-GARJFASQSA-N 2 0 245.342 0.485 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638232161 352084241 /nfs/dbraw/zinc/08/42/41/352084241.db2.gz DKOYJDWHGLAYSF-RYUDHWBXSA-N 2 0 237.347 0.764 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C)[NH+](C)C ZINC000638229192 352084873 /nfs/dbraw/zinc/08/48/73/352084873.db2.gz DHNCTXAJYXSUFH-WRWGMCAJSA-N 2 0 241.379 0.829 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000638243403 352089635 /nfs/dbraw/zinc/08/96/35/352089635.db2.gz OMXZVBCGPIBZCX-UWVGGRQHSA-N 2 0 215.341 0.618 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H](C)[NH+](C)C ZINC000638243222 352090753 /nfs/dbraw/zinc/09/07/53/352090753.db2.gz LRLDHXZVRDAZPU-NXEZZACHSA-N 2 0 215.341 0.570 20 0 BCADRP C[N@H+](CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)CC(C)(C)C ZINC000638244785 352092469 /nfs/dbraw/zinc/09/24/69/352092469.db2.gz ZCYPMMXQIXBXGU-IAZYJMLFSA-N 2 0 239.363 0.298 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000638245107 352092487 /nfs/dbraw/zinc/09/24/87/352092487.db2.gz RQSJMDIDXZUDEE-GHMZBOCLSA-N 2 0 235.331 0.292 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NC(C)(C)CCC[NH3+])C1 ZINC000638246505 352093177 /nfs/dbraw/zinc/09/31/77/352093177.db2.gz FVVSRADPENOMTO-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000638243571 352094077 /nfs/dbraw/zinc/09/40/77/352094077.db2.gz BHDHVQDWPIIOJM-UWVGGRQHSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000638248541 352094693 /nfs/dbraw/zinc/09/46/93/352094693.db2.gz PQPFKDQKVCUXIW-IJLUTSLNSA-N 2 0 235.331 0.244 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H](C)CCC[NH3+] ZINC000638252110 352095421 /nfs/dbraw/zinc/09/54/21/352095421.db2.gz PDKMXZQGUWAPLD-GHMZBOCLSA-N 2 0 229.368 0.994 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638254028 352096937 /nfs/dbraw/zinc/09/69/37/352096937.db2.gz FEBRLAJPVDLNQV-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C1(C[NH+](C)C)CC1 ZINC000638254722 352097456 /nfs/dbraw/zinc/09/74/56/352097456.db2.gz IIEUCUCDLUYOFL-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC([NH3+])C1 ZINC000638254518 352097718 /nfs/dbraw/zinc/09/77/18/352097718.db2.gz AYJXWFJVSQHIPL-UHFFFAOYSA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000638256533 352099292 /nfs/dbraw/zinc/09/92/92/352099292.db2.gz PZMSSSBKHUNLFQ-AEJSXWLSSA-N 2 0 215.341 0.602 20 0 BCADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2OCC[C@@H]2[NH3+])cc1 ZINC000638255850 352099479 /nfs/dbraw/zinc/09/94/79/352099479.db2.gz MSZVAVNHVXNKCJ-NWDGAFQWSA-N 2 0 249.314 0.461 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])CC[N@@H+]1C ZINC000638257785 352101371 /nfs/dbraw/zinc/10/13/71/352101371.db2.gz WOBLDEQXLVIULM-XWLWVQCSSA-N 2 0 227.352 0.569 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)Cn1ccnc1C(C)C ZINC000638258023 352101482 /nfs/dbraw/zinc/10/14/82/352101482.db2.gz XKRPPAOSKJHIDR-SNVBAGLBSA-N 2 0 238.335 0.860 20 0 BCADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1(C[NH3+])CCC1 ZINC000638261981 352104278 /nfs/dbraw/zinc/10/42/78/352104278.db2.gz KGWACTPUWRKEEQ-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000638265588 352106102 /nfs/dbraw/zinc/10/61/02/352106102.db2.gz GCAWOAUSFPQBFT-RQJHMYQMSA-N 2 0 241.257 0.380 20 0 BCADRP CC(C)C[N@@H+]1CCCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000083961326 352106791 /nfs/dbraw/zinc/10/67/91/352106791.db2.gz KPYCVRNGFXASDU-LLVKDONJSA-N 2 0 227.352 0.524 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638269663 352107493 /nfs/dbraw/zinc/10/74/93/352107493.db2.gz SIZKRAMABYRDOZ-MIMYLULJSA-N 2 0 223.320 0.278 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000638269159 352108621 /nfs/dbraw/zinc/10/86/21/352108621.db2.gz WZGYVAPKBYRMBD-SDDRHHMPSA-N 2 0 235.331 0.244 20 0 BCADRP CCN1CCC[C@@H]1C[NH2+]C[C@@]1(OC)CCOC1 ZINC000638281667 352116019 /nfs/dbraw/zinc/11/60/19/352116019.db2.gz VIBSLEHUGDVHQT-OLZOCXBDSA-N 2 0 242.363 0.866 20 0 BCADRP CN(C(=O)C1=CC[C@H]([NH3+])C1)[C@@H](C[NH3+])C1CC1 ZINC000638332057 352153928 /nfs/dbraw/zinc/15/39/28/352153928.db2.gz MDFFGMOGNYGKMC-QWRGUYRKSA-N 2 0 223.320 0.230 20 0 BCADRP [NH3+]CC1(CCNC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638387597 352197222 /nfs/dbraw/zinc/19/72/22/352197222.db2.gz GRZUFYRZQYUOSV-JTQLQIEISA-N 2 0 223.320 0.279 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC(CC[NH3+])CC1 ZINC000638391834 352197377 /nfs/dbraw/zinc/19/73/77/352197377.db2.gz BUOOUAUTEOYDMR-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000638344725 352161734 /nfs/dbraw/zinc/16/17/34/352161734.db2.gz XTEHTOHUIPLBEX-ADEWGFFLSA-N 2 0 237.347 0.477 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000638342799 352161747 /nfs/dbraw/zinc/16/17/47/352161747.db2.gz RHSXALFTZSXMSZ-GMTAPVOTSA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N(C)CC[NH3+] ZINC000638343362 352162338 /nfs/dbraw/zinc/16/23/38/352162338.db2.gz MEFXYRUNPSRJLR-SECBINFHSA-N 2 0 201.314 0.167 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N(C)CC[NH3+] ZINC000638345524 352163458 /nfs/dbraw/zinc/16/34/58/352163458.db2.gz YHACEBLWZKXCNP-UHFFFAOYSA-N 2 0 211.265 0.077 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000638375927 352185914 /nfs/dbraw/zinc/18/59/14/352185914.db2.gz JUMKUDKCKZUWRX-QWRGUYRKSA-N 2 0 239.363 0.775 20 0 BCADRP CC[C@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)[NH+](C)C ZINC000638325801 352145449 /nfs/dbraw/zinc/14/54/49/352145449.db2.gz GYYZOIPUEZNFQS-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000638394953 352200594 /nfs/dbraw/zinc/20/05/94/352200594.db2.gz NHDOGBLJINSFNL-GARJFASQSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC000638395401 352202569 /nfs/dbraw/zinc/20/25/69/352202569.db2.gz CCJBYWCZXAAZAS-QWRGUYRKSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638398521 352206367 /nfs/dbraw/zinc/20/63/67/352206367.db2.gz UXEOLWYICOYICD-MIMYLULJSA-N 2 0 223.320 0.372 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000638401149 352206810 /nfs/dbraw/zinc/20/68/10/352206810.db2.gz PHUOUVXHQFNHRB-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638402312 352208302 /nfs/dbraw/zinc/20/83/02/352208302.db2.gz MHJMWLNSRZATOS-SNVBAGLBSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000638404673 352211274 /nfs/dbraw/zinc/21/12/74/352211274.db2.gz JIEYFDSVCKGGBE-UWVGGRQHSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H](CCNC(=O)C1=CC[C@@H]([NH3+])C1)[NH+](C)C ZINC000638408248 352213916 /nfs/dbraw/zinc/21/39/16/352213916.db2.gz FTOXBTVIJDVNJA-MWLCHTKSSA-N 2 0 225.336 0.490 20 0 BCADRP C[C@H](C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)[NH+](C)C ZINC000638441815 352248529 /nfs/dbraw/zinc/24/85/29/352248529.db2.gz JVDJFBZZTXYUMR-JFGNBEQYSA-N 2 0 225.336 0.276 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000638442402 352251998 /nfs/dbraw/zinc/25/19/98/352251998.db2.gz UQWFBEFGLDFGAZ-WZRBSPASSA-N 2 0 235.331 0.374 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000638442266 352252095 /nfs/dbraw/zinc/25/20/95/352252095.db2.gz QYFRXBMPYMLAGG-SCVCMEIPSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]CCCC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638498575 352317713 /nfs/dbraw/zinc/31/77/13/352317713.db2.gz LNPPAYNSKUNILB-SECBINFHSA-N 2 0 211.309 0.126 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C[C@@H](C)[NH3+] ZINC000638485139 352294983 /nfs/dbraw/zinc/29/49/83/352294983.db2.gz XJMTXQXFHJEFRT-NXEZZACHSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638484897 352295179 /nfs/dbraw/zinc/29/51/79/352295179.db2.gz VZISAWCUYOZCAJ-MNOVXSKESA-N 2 0 227.352 0.298 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000638487630 352296355 /nfs/dbraw/zinc/29/63/55/352296355.db2.gz CEEJVKHXVDHLJP-RKDXNWHRSA-N 2 0 249.305 0.425 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000638487999 352298367 /nfs/dbraw/zinc/29/83/67/352298367.db2.gz DDSCDEXJHRQUEL-UTUOFQBUSA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000638490167 352299135 /nfs/dbraw/zinc/29/91/35/352299135.db2.gz UNQBQQHEYYBYRR-MNOVXSKESA-N 2 0 239.363 0.441 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638489667 352300545 /nfs/dbraw/zinc/30/05/45/352300545.db2.gz NIBGPTFDSTVMHE-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000638489780 352301566 /nfs/dbraw/zinc/30/15/66/352301566.db2.gz QDYZNSVYCNWYMO-MXWKQRLJSA-N 2 0 227.352 0.426 20 0 BCADRP CCN(CC[NH3+])C(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000638522503 352356538 /nfs/dbraw/zinc/35/65/38/352356538.db2.gz INLZRGJPYYBTHA-VXGBXAGGSA-N 2 0 241.379 0.819 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH3+] ZINC000638519487 352352318 /nfs/dbraw/zinc/35/23/18/352352318.db2.gz VTVCMFDLVFPHDB-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP CCN(CC[NH3+])C(=O)c1c[nH+]ccc1N(C)C ZINC000638519464 352352429 /nfs/dbraw/zinc/35/24/29/352352429.db2.gz ZIDMKZPKIDPVJU-UHFFFAOYSA-N 2 0 236.319 0.568 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638509094 352332135 /nfs/dbraw/zinc/33/21/35/352332135.db2.gz RABGRABIEMWJDL-YUMQZZPRSA-N 2 0 247.289 0.370 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638510701 352334792 /nfs/dbraw/zinc/33/47/92/352334792.db2.gz XSSNUKJKFNDCMC-GHMZBOCLSA-N 2 0 239.363 0.775 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638513598 352339077 /nfs/dbraw/zinc/33/90/77/352339077.db2.gz NQVDGRNZGKZJAZ-NXEZZACHSA-N 2 0 225.336 0.385 20 0 BCADRP CCN(CC[NH3+])C(=O)C1([NH3+])CCCCC1 ZINC000638522483 352355856 /nfs/dbraw/zinc/35/58/56/352355856.db2.gz HTOTXKFXQHKEEG-UHFFFAOYSA-N 2 0 213.325 0.455 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000638516235 352343729 /nfs/dbraw/zinc/34/37/29/352343729.db2.gz OZZVKCKDNAZFAY-VHSXEESVSA-N 2 0 215.341 0.413 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000638516640 352345720 /nfs/dbraw/zinc/34/57/20/352345720.db2.gz FYGSVDVIYJVSMP-PWSUYJOCSA-N 2 0 227.352 0.701 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000638517179 352346452 /nfs/dbraw/zinc/34/64/52/352346452.db2.gz QVXQLEOWUPTCDV-RKDXNWHRSA-N 2 0 222.292 0.320 20 0 BCADRP CCN(CC[NH3+])C(=O)C[N@H+](C)C(C)C ZINC000638517099 352347251 /nfs/dbraw/zinc/34/72/51/352347251.db2.gz MOIDCXWHSZJRBX-UHFFFAOYSA-N 2 0 201.314 0.134 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]([NH3+])c1ccccc1C ZINC000638517719 352348796 /nfs/dbraw/zinc/34/87/96/352348796.db2.gz ZUQNGSMUILFADE-GFCCVEGCSA-N 2 0 235.331 0.802 20 0 BCADRP CCN(CC[NH3+])C(=O)C[NH+]1CCC(C)CC1 ZINC000638517765 352348978 /nfs/dbraw/zinc/34/89/78/352348978.db2.gz DWVRDONZHDPSQU-UHFFFAOYSA-N 2 0 227.352 0.526 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000638528477 352361704 /nfs/dbraw/zinc/36/17/04/352361704.db2.gz IIQVLAGHDAFYGW-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000638528300 352362841 /nfs/dbraw/zinc/36/28/41/352362841.db2.gz DWKWFORBWOYJLU-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]1(CC)CCC[NH2+]1 ZINC000638572792 352401219 /nfs/dbraw/zinc/40/12/19/352401219.db2.gz YTUVCRKZMIUVJF-LOWVWBTDSA-N 2 0 239.363 0.775 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000638573278 352399595 /nfs/dbraw/zinc/39/95/95/352399595.db2.gz BBDFKPJCVCTKFW-WHOHXGKFSA-N 2 0 239.363 0.761 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC1([NH3+])CCOCC1 ZINC000638535906 352367349 /nfs/dbraw/zinc/36/73/49/352367349.db2.gz SXWBIVZVBHWSIV-NSHDSACASA-N 2 0 243.351 0.128 20 0 BCADRP CC[NH2+][C@H](C)C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414952073 352371890 /nfs/dbraw/zinc/37/18/90/352371890.db2.gz HZSREWBUWFWHEI-IJLUTSLNSA-N 3 0 213.369 0.962 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000638572678 352401235 /nfs/dbraw/zinc/40/12/35/352401235.db2.gz UCDKURMBFWNWED-TUAOUCFPSA-N 2 0 241.379 0.829 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccnc(C[NH3+])c1 ZINC000638572553 352401295 /nfs/dbraw/zinc/40/12/95/352401295.db2.gz OOUSTWMMBFKBIB-NWDGAFQWSA-N 2 0 248.330 0.411 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000336741323 352378716 /nfs/dbraw/zinc/37/87/16/352378716.db2.gz NDATXLTWNPVCPO-ZJUUUORDSA-N 2 0 213.325 0.357 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000638572456 352401193 /nfs/dbraw/zinc/40/11/93/352401193.db2.gz LTLZGUVKSSWFIC-DMDPSCGWSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000638571894 352398970 /nfs/dbraw/zinc/39/89/70/352398970.db2.gz BCONDQGJRMLXJN-XWLWVQCSSA-N 2 0 225.336 0.241 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000638522828 352357600 /nfs/dbraw/zinc/35/76/00/352357600.db2.gz RLWMVCSDUBEEID-ZJUUUORDSA-N 2 0 213.325 0.311 20 0 BCADRP CC[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H]1CC)[NH+](C)C ZINC000638575477 352402404 /nfs/dbraw/zinc/40/24/04/352402404.db2.gz ICKUXQQPMPJIIH-AXFHLTTASA-N 2 0 227.352 0.583 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000638574444 352404685 /nfs/dbraw/zinc/40/46/85/352404685.db2.gz SMWVVVYQIYZAHL-CHWFTXMASA-N 2 0 248.330 0.770 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)CC2(C[NH3+])CC2)C[NH2+]1 ZINC000638641158 352483450 /nfs/dbraw/zinc/48/34/50/352483450.db2.gz BUPIHXWFBRHIDX-ZJUUUORDSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)CCC2C[NH2+]C2)C[NH2+]1 ZINC000638640239 352484009 /nfs/dbraw/zinc/48/40/09/352484009.db2.gz QKGXKCREAUUOJL-GXSJLCMTSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)CCC2C[NH2+]C2)C[NH2+]1 ZINC000638640242 352484155 /nfs/dbraw/zinc/48/41/55/352484155.db2.gz QKGXKCREAUUOJL-ONGXEEELSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)[NH+](C)C ZINC000638642589 352484626 /nfs/dbraw/zinc/48/46/26/352484626.db2.gz XBENFZLRTFWQEU-IVZWLZJFSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@H]([NH3+])C2CCC2)C[NH2+]1 ZINC000638641558 352484756 /nfs/dbraw/zinc/48/47/56/352484756.db2.gz DRMGTGYVLOAGKY-FBIMIBRVSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[C@H](C)[NH3+] ZINC000638643987 352486674 /nfs/dbraw/zinc/48/66/74/352486674.db2.gz NTABJVGEAFYRHM-IMSYWVGJSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[NH2+]1 ZINC000638644877 352488532 /nfs/dbraw/zinc/48/85/32/352488532.db2.gz IRHJYBMYJGUHCU-CMPLNLGQSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)C2([NH3+])CCC2)C[NH2+]1 ZINC000638646046 352490078 /nfs/dbraw/zinc/49/00/78/352490078.db2.gz XLLXBDHLXYMZLN-DTWKUNHWSA-N 2 0 211.309 0.125 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638652759 352494341 /nfs/dbraw/zinc/49/43/41/352494341.db2.gz UNGWCTWPWUYLBX-UTLUCORTSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)C[NH2+]1 ZINC000638653766 352494678 /nfs/dbraw/zinc/49/46/78/352494678.db2.gz HBRNITLEMYCTBK-GMTAPVOTSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C[NH2+]1 ZINC000638653768 352495350 /nfs/dbraw/zinc/49/53/50/352495350.db2.gz HBRNITLEMYCTBK-MXWKQRLJSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@]2(C)CC[NH2+]C2)C[NH2+]1 ZINC000638654177 352496514 /nfs/dbraw/zinc/49/65/14/352496514.db2.gz JYQIDHBJDPXFCS-CKYFFXLPSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)C2([NH3+])CCCC2)C[NH2+]1 ZINC000638654215 352496940 /nfs/dbraw/zinc/49/69/40/352496940.db2.gz KRMJUIMOFGNTDM-UWVGGRQHSA-N 2 0 225.336 0.515 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638656710 352497168 /nfs/dbraw/zinc/49/71/68/352497168.db2.gz USSHQNQLDXMBOQ-ZJUUUORDSA-N 2 0 213.325 0.243 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)C2([NH3+])CCCCC2)C[NH2+]1 ZINC000638655883 352498727 /nfs/dbraw/zinc/49/87/27/352498727.db2.gz RSAQKNYSHHTWNX-QWRGUYRKSA-N 2 0 239.363 0.905 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](C)[NH3+] ZINC000638690909 352527518 /nfs/dbraw/zinc/52/75/18/352527518.db2.gz UIOSNYOBGACJJF-RKDXNWHRSA-N 2 0 216.329 0.150 20 0 BCADRP C[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000040456441 352597055 /nfs/dbraw/zinc/59/70/55/352597055.db2.gz QNCTYLPLEIVUAZ-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])CCSC ZINC000040457907 352598039 /nfs/dbraw/zinc/59/80/39/352598039.db2.gz PYKVKJVBHBXXSD-JTQLQIEISA-N 2 0 247.408 0.525 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040670646 352603762 /nfs/dbraw/zinc/60/37/62/352603762.db2.gz UFAYGOWCKXXSTQ-NTZNESFSSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH+]1CCC(NC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000042170467 352615544 /nfs/dbraw/zinc/61/55/44/352615544.db2.gz GXCHKLLHYNBBAP-GFCCVEGCSA-N 2 0 239.363 0.729 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000041680208 352616260 /nfs/dbraw/zinc/61/62/60/352616260.db2.gz OHKVPMLASYLGBD-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP C[N@@H+](CC(=O)N1CC[NH2+]CC1)CC1CCCC1 ZINC000042011634 352617358 /nfs/dbraw/zinc/61/73/58/352617358.db2.gz XKWLSNBKYMVGFH-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@H](C(=O)NC1CC1)[NH+]1CCC(C[NH3+])CC1 ZINC000044514440 352653542 /nfs/dbraw/zinc/65/35/42/352653542.db2.gz CWKSMTZYDNYSAR-SECBINFHSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000044806158 352656964 /nfs/dbraw/zinc/65/69/64/352656964.db2.gz UCIVEVHYWBZIKI-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[N@H+](CCC1CC[NH2+]CC1)CC(N)=O ZINC000042429069 352621720 /nfs/dbraw/zinc/62/17/20/352621720.db2.gz NQHXGLUIWYKUOG-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000638766390 352703446 /nfs/dbraw/zinc/70/34/46/352703446.db2.gz VLBWHGIHACRAMY-UKKRHICBSA-N 2 0 225.336 0.241 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000638768342 352705906 /nfs/dbraw/zinc/70/59/06/352705906.db2.gz WNAQKSRPCVEXAO-XWLWVQCSSA-N 2 0 225.336 0.241 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000638768301 352705953 /nfs/dbraw/zinc/70/59/53/352705953.db2.gz UWNSGTQZXMXDHB-GARJFASQSA-N 2 0 225.336 0.385 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638768376 352706185 /nfs/dbraw/zinc/70/61/85/352706185.db2.gz XRASWRKOZRPONX-ZRUFSTJUSA-N 2 0 225.336 0.241 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000638767217 352706607 /nfs/dbraw/zinc/70/66/07/352706607.db2.gz BCZUNGKXOBNXOL-XHNCKOQMSA-N 2 0 247.289 0.098 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000638767202 352706824 /nfs/dbraw/zinc/70/68/24/352706824.db2.gz ATIFCNLKCQIFOV-KQXIARHKSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1([NH3+])CCCC1 ZINC000638774066 352720070 /nfs/dbraw/zinc/72/00/70/352720070.db2.gz WYOPDRKNHBJOKL-DTWKUNHWSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638774219 352716221 /nfs/dbraw/zinc/71/62/21/352716221.db2.gz YEGZGNVBRVDOFM-LNFKQOIKSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334185718 352774613 /nfs/dbraw/zinc/77/46/13/352774613.db2.gz CDZVHPNVOZHDTH-RYUDHWBXSA-N 2 0 212.337 0.785 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)C1([NH2+]C2CC2)CCC1 ZINC000638792245 352753705 /nfs/dbraw/zinc/75/37/05/352753705.db2.gz GKAGVUZNKDSWEO-SNVBAGLBSA-N 2 0 223.320 0.139 20 0 BCADRP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000334182211 352770609 /nfs/dbraw/zinc/77/06/09/352770609.db2.gz FFIXPPCOEZLUIA-MNOVXSKESA-N 2 0 225.336 0.291 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000353503554 187886217 /nfs/dbraw/zinc/88/62/17/187886217.db2.gz BVNPOAZCHOSTBO-YFKTTZPYSA-N 2 0 239.363 0.569 20 0 BCADRP CC[C@H](C(=O)N1CC[NH+]2CCC1CC2)[NH+](C)C ZINC000334238926 352857986 /nfs/dbraw/zinc/85/79/86/352857986.db2.gz UBHKMMFVJLUVCP-GFCCVEGCSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000377744534 187904048 /nfs/dbraw/zinc/90/40/48/187904048.db2.gz LUTBUFZZGOCTDC-NXEZZACHSA-N 2 0 225.336 0.182 20 0 BCADRP CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CC([NH3+])C1 ZINC000449634481 201992258 /nfs/dbraw/zinc/99/22/58/201992258.db2.gz RKTLONUYHHFKDZ-AGVGLQIMSA-N 2 0 225.336 0.310 20 0 BCADRP CN(C(=O)C[NH+](C)C)C1CC[NH+](C)CC1 ZINC000334262937 352896338 /nfs/dbraw/zinc/89/63/38/352896338.db2.gz JEKZTILFGTUCDK-UHFFFAOYSA-N 2 0 213.325 0.101 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000493816375 229666130 /nfs/dbraw/zinc/66/61/30/229666130.db2.gz IZVNNTQUVJZRJJ-NAKRPEOUSA-N 2 0 227.352 0.698 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH2+]C1CC1 ZINC000627068485 363200068 /nfs/dbraw/zinc/20/00/68/363200068.db2.gz KLBZSTWHDPKQPC-LLVKDONJSA-N 2 0 240.351 0.132 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000627068879 363200345 /nfs/dbraw/zinc/20/03/45/363200345.db2.gz KPXCMWJAZVGGCO-GHMZBOCLSA-N 2 0 242.367 0.365 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000638853476 353024245 /nfs/dbraw/zinc/02/42/45/353024245.db2.gz HEFSDMWIZZIDAE-JQWIXIFHSA-N 2 0 239.363 0.537 20 0 BCADRP [NH3+][C@H](C(=O)N1CCCCC[C@@H]([NH3+])C1)C1CCC1 ZINC000638816519 352997153 /nfs/dbraw/zinc/99/71/53/352997153.db2.gz NRRXDZUJWJNEIA-NEPJUHHUSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638816384 352997158 /nfs/dbraw/zinc/99/71/58/352997158.db2.gz RRMOCINLBFOWJP-VHSXEESVSA-N 2 0 213.325 0.454 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638818624 352998895 /nfs/dbraw/zinc/99/88/95/352998895.db2.gz CTAKQVZEABUWHP-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638819574 352999460 /nfs/dbraw/zinc/99/94/60/352999460.db2.gz KTKMOYIEWHQHFN-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638818930 352999879 /nfs/dbraw/zinc/99/98/79/352999879.db2.gz GAQCKYFCJCYHOD-DCAQKATOSA-N 2 0 227.352 0.700 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000638820024 353000114 /nfs/dbraw/zinc/00/01/14/353000114.db2.gz OVJSNWQBPSBTCV-WYUUTHIRSA-N 2 0 237.347 0.182 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)CCC2C[NH2+]C2)C1 ZINC000638826528 353001754 /nfs/dbraw/zinc/00/17/54/353001754.db2.gz DXZQVDVKWVBGLR-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@]1(C(=O)N2CCCCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000638821880 353002528 /nfs/dbraw/zinc/00/25/28/353002528.db2.gz CKJVAHHHHBYEFK-DGCLKSJQSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638822336 353003456 /nfs/dbraw/zinc/00/34/56/353003456.db2.gz IVNHOWSPUWDYOW-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638822335 353003460 /nfs/dbraw/zinc/00/34/60/353003460.db2.gz IVNHOWSPUWDYOW-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638822991 353004477 /nfs/dbraw/zinc/00/44/77/353004477.db2.gz NRAIMCVVWQRPPE-UWVGGRQHSA-N 2 0 213.325 0.454 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000638823849 353005175 /nfs/dbraw/zinc/00/51/75/353005175.db2.gz YLERHHIQLCMVNB-VXGBXAGGSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000638860055 353036025 /nfs/dbraw/zinc/03/60/25/353036025.db2.gz UKZFLZSNFVUCOW-NSHDSACASA-N 2 0 239.363 0.811 20 0 BCADRP C[NH+](C)CCOCC[NH2+]CC1(C)CC1 ZINC000379588034 538107559 /nfs/dbraw/zinc/10/75/59/538107559.db2.gz SWLXIBJULASCGO-UHFFFAOYSA-N 2 0 200.326 0.954 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000638909750 353066866 /nfs/dbraw/zinc/06/68/66/353066866.db2.gz JXQYOAVYKWIULT-RYUDHWBXSA-N 2 0 231.299 0.332 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000638910179 353067594 /nfs/dbraw/zinc/06/75/94/353067594.db2.gz NDTVJRHJEHHBKA-ZNSHCXBVSA-N 2 0 223.320 0.077 20 0 BCADRP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[NH+](CC)CC ZINC000638913833 353072068 /nfs/dbraw/zinc/07/20/68/353072068.db2.gz DYLARVOLVXTPCR-SRVKXCTJSA-N 2 0 239.363 0.680 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638911130 353075675 /nfs/dbraw/zinc/07/56/75/353075675.db2.gz ZKPPPJGQJRBKIC-ATZCPNFKSA-N 2 0 211.309 0.077 20 0 BCADRP [NH3+]CCC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638874740 353045334 /nfs/dbraw/zinc/04/53/34/353045334.db2.gz WVFUJWPFMOBSMS-LBPRGKRZSA-N 2 0 235.331 0.412 20 0 BCADRP O=C(CCC1CC[NH2+]CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915980 353076438 /nfs/dbraw/zinc/07/64/38/353076438.db2.gz RYVJRUKPACKAKX-RYUDHWBXSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000638937292 353110249 /nfs/dbraw/zinc/11/02/49/353110249.db2.gz SUZAGSRDIHHYNL-OPRDCNLKSA-N 2 0 243.376 0.030 20 0 BCADRP [NH3+][C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000638937220 353110302 /nfs/dbraw/zinc/11/03/02/353110302.db2.gz ITQCLHJYEGGNDK-OUAUKWLOSA-N 2 0 223.320 0.077 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CCC1CC[NH2+]CC1 ZINC000638937262 353111638 /nfs/dbraw/zinc/11/16/38/353111638.db2.gz SHVRWIPBHMQOFF-PWSUYJOCSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCC[NH2+]1 ZINC000638916101 353077731 /nfs/dbraw/zinc/07/77/31/353077731.db2.gz YCCBBLIQDQYTLX-NHCYSSNCSA-N 2 0 223.320 0.091 20 0 BCADRP [NH3+]C1(CC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000638919826 353078383 /nfs/dbraw/zinc/07/83/83/353078383.db2.gz UOZUGIAAYOZVOO-AOOOYVTPSA-N 2 0 223.320 0.221 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919989 353078743 /nfs/dbraw/zinc/07/87/43/353078743.db2.gz XCCUWRRMCCLUEP-ZNSHCXBVSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1CCC[NH2+]CC1 ZINC000638928489 353084564 /nfs/dbraw/zinc/08/45/64/353084564.db2.gz KHLNREBVZKQYFR-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000638924885 353085526 /nfs/dbraw/zinc/08/55/26/353085526.db2.gz HUKNDGTWFHOKNA-GRYCIOLGSA-N 2 0 239.363 0.535 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925506 353086076 /nfs/dbraw/zinc/08/60/76/353086076.db2.gz PBZOOOFXISSLAJ-PHIMTYICSA-N 2 0 225.336 0.291 20 0 BCADRP O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926421 353086609 /nfs/dbraw/zinc/08/66/09/353086609.db2.gz GRMLWQVZXSPEPL-GFQSEFKGSA-N 2 0 249.358 0.339 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638931493 353092582 /nfs/dbraw/zinc/09/25/82/353092582.db2.gz MPBNWCAMTXHVER-RCWTZXSCSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)CC[NH2+]C1CC1 ZINC000638928898 353099000 /nfs/dbraw/zinc/09/90/00/353099000.db2.gz CIEZJBPKALECHE-IUCAKERBSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1CC[NH+](C)CC1 ZINC000638935109 353099929 /nfs/dbraw/zinc/09/99/29/353099929.db2.gz LWCGPBYSLIWAPR-MWLCHTKSSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638937062 353100552 /nfs/dbraw/zinc/10/05/52/353100552.db2.gz DWMHTJOZKOHLPX-YFKTTZPYSA-N 2 0 237.347 0.337 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000054133433 188006935 /nfs/dbraw/zinc/00/69/35/188006935.db2.gz JKSTWYLUVLCZSE-JTQLQIEISA-N 2 0 215.341 0.426 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000353133904 188007935 /nfs/dbraw/zinc/00/79/35/188007935.db2.gz UVPXJUGNCKOGFZ-UTUOFQBUSA-N 2 0 241.379 0.720 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000638943433 353141427 /nfs/dbraw/zinc/14/14/27/353141427.db2.gz UABMCQRMQAQLQO-IJLUTSLNSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C)[NH3+] ZINC000638941779 353133891 /nfs/dbraw/zinc/13/38/91/353133891.db2.gz VKEILFCJGUAMRU-NNYUYHANSA-N 2 0 239.363 0.569 20 0 BCADRP [NH3+]CCCC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638942323 353135720 /nfs/dbraw/zinc/13/57/20/353135720.db2.gz GHIHKRCLFGFKQG-MGCOHNPYSA-N 2 0 213.325 0.359 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000295149755 188038325 /nfs/dbraw/zinc/03/83/25/188038325.db2.gz JMABUWZXTCHZFG-TZMCWYRMSA-N 2 0 249.358 0.960 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000040467850 188043278 /nfs/dbraw/zinc/04/32/78/188043278.db2.gz PXOREVCROWYVFH-WDEREUQCSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)CNC(=O)CN(C)C1CC([NH3+])C1 ZINC000163088746 188048551 /nfs/dbraw/zinc/04/85/51/188048551.db2.gz OAOHIKDCBQIOKE-UHFFFAOYSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)C[NH3+])CC1 ZINC000054340903 188048898 /nfs/dbraw/zinc/04/88/98/188048898.db2.gz RMJUYZBQWNHRTH-LLVKDONJSA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH+](C)C)[NH+](C)C ZINC000346143967 188052072 /nfs/dbraw/zinc/05/20/72/188052072.db2.gz TVLPLSXPUTXQSK-GHMZBOCLSA-N 2 0 229.368 0.639 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000332658836 188054582 /nfs/dbraw/zinc/05/45/82/188054582.db2.gz ODYXGVVSVXUKIT-YFKTTZPYSA-N 2 0 239.363 0.426 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CC1([NH3+])CCC1 ZINC000638946199 353148521 /nfs/dbraw/zinc/14/85/21/353148521.db2.gz LPBNGKZBFGWRJO-BDAKNGLRSA-N 2 0 211.309 0.206 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000638971566 353179151 /nfs/dbraw/zinc/17/91/51/353179151.db2.gz ZAQARABNQQYYJP-SRVKXCTJSA-N 2 0 239.363 0.620 20 0 BCADRP CCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987057 353216400 /nfs/dbraw/zinc/21/64/00/353216400.db2.gz JOQBUIBIJZPRSZ-UHFFFAOYSA-N 2 0 234.303 0.840 20 0 BCADRP C[NH2+]CCC(=O)NC1(C[NH3+])CCCCC1 ZINC000638996424 353232347 /nfs/dbraw/zinc/23/23/47/353232347.db2.gz HTTXAJQFHUMJSB-UHFFFAOYSA-N 2 0 213.325 0.374 20 0 BCADRP CC[C@@]1(C(=O)NC[C@H]2CCCC[NH2+]2)CCC[NH2+]1 ZINC000134366808 538111988 /nfs/dbraw/zinc/11/19/88/538111988.db2.gz ICLQLPSZBUUXAR-YPMHNXCESA-N 2 0 239.363 0.777 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC1(C[NH3+])CCCCC1 ZINC000638999061 353245956 /nfs/dbraw/zinc/24/59/56/353245956.db2.gz WEMDVMCOYBUKHE-JTQLQIEISA-N 2 0 227.352 0.762 20 0 BCADRP [NH3+]CC1(NC(=O)C[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000639001393 353249463 /nfs/dbraw/zinc/24/94/63/353249463.db2.gz KRRPNAFLGBWBHC-NSHDSACASA-N 2 0 239.363 0.906 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000639018998 353275290 /nfs/dbraw/zinc/27/52/90/353275290.db2.gz AZVIYNUVOGSASP-BJDJZHNGSA-N 2 0 237.347 0.324 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000639022176 353277129 /nfs/dbraw/zinc/27/71/29/353277129.db2.gz YMIXMMRHYCKOTL-JQWIXIFHSA-N 2 0 247.342 0.888 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639022661 353278367 /nfs/dbraw/zinc/27/83/67/353278367.db2.gz OTWPEARJXMCENB-XYPYZODXSA-N 2 0 227.352 0.761 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639022651 353278393 /nfs/dbraw/zinc/27/83/93/353278393.db2.gz OFESKHKJWXFIIZ-CKYFFXLPSA-N 2 0 227.352 0.890 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639021127 353279116 /nfs/dbraw/zinc/27/91/16/353279116.db2.gz BGLFOJLJHQDBOH-OPRDCNLKSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]CCCCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639020949 353279325 /nfs/dbraw/zinc/27/93/25/353279325.db2.gz GNMINORPCVQJLH-VXGBXAGGSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639023183 353282063 /nfs/dbraw/zinc/28/20/63/353282063.db2.gz KOCMEXNQNMCPSX-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639030310 353295954 /nfs/dbraw/zinc/29/59/54/353295954.db2.gz SUPVEIAXSOHDSX-GUBZILKMSA-N 2 0 213.325 0.371 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000639025502 353284354 /nfs/dbraw/zinc/28/43/54/353284354.db2.gz YMIXMMRHYCKOTL-ZYHUDNBSSA-N 2 0 247.342 0.888 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639026877 353286919 /nfs/dbraw/zinc/28/69/19/353286919.db2.gz HOXCLXAQNOTTIN-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251785470 353287776 /nfs/dbraw/zinc/28/77/76/353287776.db2.gz NDOSMRBBDMAYSP-MXWKQRLJSA-N 2 0 225.336 0.276 20 0 BCADRP [NH3+][C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000368361575 188247006 /nfs/dbraw/zinc/24/70/06/188247006.db2.gz LTEANCUDCRDCHO-XQQFMLRXSA-N 2 0 245.326 0.507 20 0 BCADRP CC(C)([NH3+])CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000374608405 188250622 /nfs/dbraw/zinc/25/06/22/188250622.db2.gz COFHSXYQJXCHAE-HBNTYKKESA-N 2 0 239.363 0.700 20 0 BCADRP CC[C@@]1(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CCC[NH2+]1 ZINC000639030153 353292046 /nfs/dbraw/zinc/29/20/46/353292046.db2.gz CKPSKFISZWQEAP-GVXVVHGQSA-N 2 0 239.363 0.905 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000377744543 188251880 /nfs/dbraw/zinc/25/18/80/188251880.db2.gz LUTBUFZZGOCTDC-VHSXEESVSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000377744540 188252167 /nfs/dbraw/zinc/25/21/67/188252167.db2.gz LUTBUFZZGOCTDC-UWVGGRQHSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000251863794 353292790 /nfs/dbraw/zinc/29/27/90/353292790.db2.gz SSHLECNLALBECW-SRVKXCTJSA-N 2 0 237.347 0.434 20 0 BCADRP C=CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000037834407 188288673 /nfs/dbraw/zinc/28/86/73/188288673.db2.gz ZNXOOYUEXQOMNK-UHFFFAOYSA-N 2 0 241.379 0.904 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000639031860 353301232 /nfs/dbraw/zinc/30/12/32/353301232.db2.gz YFWSYMKTVBYFMX-ZPFDUUQYSA-N 2 0 237.347 0.372 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC[N@@H+]1C ZINC000639032110 353301449 /nfs/dbraw/zinc/30/14/49/353301449.db2.gz MFHHXKRFVHGIOZ-DDHJBXDOSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)[NH+](C)C ZINC000639032993 353304485 /nfs/dbraw/zinc/30/44/85/353304485.db2.gz AOBRPAKHINOGIS-OPRDCNLKSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000165395366 353336150 /nfs/dbraw/zinc/33/61/50/353336150.db2.gz ZJTBOPNSRAYPRX-LPEHRKFASA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H](C)[NH3+] ZINC000165395488 353336258 /nfs/dbraw/zinc/33/62/58/353336258.db2.gz ZJTBOPNSRAYPRX-KXUCPTDWSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1NCc1nccn1C ZINC000252894343 353312973 /nfs/dbraw/zinc/31/29/73/353312973.db2.gz UXWHPXDHVDSRNQ-GHMZBOCLSA-N 2 0 222.336 0.850 20 0 BCADRP CCN(CCO)CC[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000639053626 353355732 /nfs/dbraw/zinc/35/57/32/353355732.db2.gz KOXYFRDMVCCBJU-UWVGGRQHSA-N 2 0 236.306 0.934 20 0 BCADRP CCN(CCO)CC[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000639053627 353355941 /nfs/dbraw/zinc/35/59/41/353355941.db2.gz KOXYFRDMVCCBJU-VHSXEESVSA-N 2 0 236.306 0.934 20 0 BCADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)[NH3+])CC1 ZINC000037804612 188327606 /nfs/dbraw/zinc/32/76/06/188327606.db2.gz QUEHJZUAJYYVRR-JTQLQIEISA-N 2 0 227.352 0.665 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000123092631 188329187 /nfs/dbraw/zinc/32/91/87/188329187.db2.gz SPFAJLMDESRIEH-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CSCN1 ZINC000163478833 353353203 /nfs/dbraw/zinc/35/32/03/353353203.db2.gz IZHMSNQDJUJRCI-NXEZZACHSA-N 2 0 243.376 0.249 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000336731322 188344811 /nfs/dbraw/zinc/34/48/11/188344811.db2.gz FEJCEYJZEIBGME-ZJUUUORDSA-N 2 0 215.341 0.459 20 0 BCADRP C(C1CC[NH2+]CC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309906079 188346897 /nfs/dbraw/zinc/34/68/97/188346897.db2.gz KGZNOWLYRSPSGH-TXEJJXNPSA-N 3 0 209.337 0.137 20 0 BCADRP C[NH2+]CC(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639068847 353378864 /nfs/dbraw/zinc/37/88/64/353378864.db2.gz JXMMTGLHFAOJAY-SNVBAGLBSA-N 2 0 233.315 0.685 20 0 BCADRP C[NH2+]CC(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639068843 353379106 /nfs/dbraw/zinc/37/91/06/353379106.db2.gz JXMMTGLHFAOJAY-JTQLQIEISA-N 2 0 233.315 0.685 20 0 BCADRP CC(C)[NH+](CCNC(=O)CC[NH3+])C(C)C ZINC000019399713 188350302 /nfs/dbraw/zinc/35/03/02/188350302.db2.gz AGPBXLJJUCGBTL-UHFFFAOYSA-N 2 0 215.341 0.570 20 0 BCADRP CC(C)[NH+](CCNC(=O)[C@H](C)[NH3+])C(C)C ZINC000019503797 188350334 /nfs/dbraw/zinc/35/03/34/188350334.db2.gz OEEWAQSZJRUJKY-JTQLQIEISA-N 2 0 215.341 0.569 20 0 BCADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC(=O)NC2)CC1 ZINC000111016256 188354359 /nfs/dbraw/zinc/35/43/59/188354359.db2.gz CHGPNXNJJFLZJY-GFCCVEGCSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000165605124 353405761 /nfs/dbraw/zinc/40/57/61/353405761.db2.gz BSOWTVUKSDCEEQ-NWDGAFQWSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](C)C[NH3+] ZINC000627080554 363224477 /nfs/dbraw/zinc/22/44/77/363224477.db2.gz DULCXLAJSNPSJT-KXUCPTDWSA-N 2 0 228.340 0.021 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627080159 363225052 /nfs/dbraw/zinc/22/50/52/363225052.db2.gz OMVIXELVEILMDY-VHSXEESVSA-N 2 0 242.367 0.554 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)NCCC[NH3+])CC1 ZINC000332010064 188368993 /nfs/dbraw/zinc/36/89/93/188368993.db2.gz PMHREVPBSNWAND-UHFFFAOYSA-N 2 0 242.367 0.461 20 0 BCADRP [NH3+]CCN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000165680041 353446180 /nfs/dbraw/zinc/44/61/80/353446180.db2.gz POGULABTNNMVHZ-LBPRGKRZSA-N 2 0 205.305 0.592 20 0 BCADRP CC1(C)SC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000393825893 353455170 /nfs/dbraw/zinc/45/51/70/353455170.db2.gz GORFEOAETCZZSO-QWRGUYRKSA-N 2 0 244.404 0.927 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627081686 363227836 /nfs/dbraw/zinc/22/78/36/363227836.db2.gz RTXVIHATHLDJCX-VHSXEESVSA-N 2 0 228.340 0.036 20 0 BCADRP CC(C)([NH3+])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000040922651 188396694 /nfs/dbraw/zinc/39/66/94/188396694.db2.gz PYZOMOXTUIFUMC-SECBINFHSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000040459917 188396880 /nfs/dbraw/zinc/39/68/80/188396880.db2.gz CJEHLRGGMFDIHI-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP CC[NH2+]CCCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000571669494 353490416 /nfs/dbraw/zinc/49/04/16/353490416.db2.gz QIERPOJUFCHUDQ-RYUDHWBXSA-N 2 0 213.369 0.964 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000132010561 188402952 /nfs/dbraw/zinc/40/29/52/188402952.db2.gz CTBUTXJKNLMJBN-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]([NH3+])C2CC2)C[NH2+]1 ZINC000627082583 363233912 /nfs/dbraw/zinc/23/39/12/363233912.db2.gz HOQOTLCYHCISRN-FBIMIBRVSA-N 2 0 240.351 0.163 20 0 BCADRP COCC[N@H+](C)CCCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000192098182 353542078 /nfs/dbraw/zinc/54/20/78/353542078.db2.gz CUTHTIWRNSBMQE-GHMZBOCLSA-N 2 0 245.367 0.054 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)CCC[NH2+]1 ZINC000193545244 353600306 /nfs/dbraw/zinc/60/03/06/353600306.db2.gz RSHITAPHVNBHLR-NQBHXWOUSA-N 2 0 239.363 0.775 20 0 BCADRP CC1(CNC(=O)N[C@@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC000627083616 363235234 /nfs/dbraw/zinc/23/52/34/363235234.db2.gz KHNLAAWMZZZCQS-SNVBAGLBSA-N 2 0 240.351 0.037 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000627088381 363241073 /nfs/dbraw/zinc/24/10/73/363241073.db2.gz QTQMFGOXXCYQDK-ZJUUUORDSA-N 2 0 228.340 0.247 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000627090533 363243488 /nfs/dbraw/zinc/24/34/88/363243488.db2.gz WRYJKJVXONUXTO-XWLWVQCSSA-N 2 0 240.351 0.034 20 0 BCADRP CC[NH+](CC)CCCNC(=O)C[C@H](C[NH3+])OC ZINC000232111302 353695079 /nfs/dbraw/zinc/69/50/79/353695079.db2.gz LNRNKBVAEMPUGQ-LLVKDONJSA-N 2 0 245.367 0.198 20 0 BCADRP CC[NH+](CC)CCCNC(=O)C[C@@H](C[NH3+])OC ZINC000232111300 353695102 /nfs/dbraw/zinc/69/51/02/353695102.db2.gz LNRNKBVAEMPUGQ-NSHDSACASA-N 2 0 245.367 0.198 20 0 BCADRP [NH3+]C/C=C/CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627093454 363249721 /nfs/dbraw/zinc/24/97/21/363249721.db2.gz KZXGIHVHSBHYKS-YOLVWIGZSA-N 2 0 238.335 0.085 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000627098978 363257234 /nfs/dbraw/zinc/25/72/34/363257234.db2.gz ZOUWWUIQVWWTSI-DOLQZWNJSA-N 2 0 228.340 0.162 20 0 BCADRP C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[C@H](C)[NH3+] ZINC000627098976 363257605 /nfs/dbraw/zinc/25/76/05/363257605.db2.gz ZOGAJPBKWMYLGI-RGOKHQFPSA-N 2 0 228.340 0.162 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCCC[NH2+]C(C)C ZINC000577942265 366115843 /nfs/dbraw/zinc/11/58/43/366115843.db2.gz LORDOGAZSOKVHJ-NSHDSACASA-N 2 0 229.368 0.879 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C1([NH3+])CCC1 ZINC000220121611 353822301 /nfs/dbraw/zinc/82/23/01/353822301.db2.gz UJUWVYXTMAKFJP-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000220314902 353833593 /nfs/dbraw/zinc/83/35/93/353833593.db2.gz AYRFDIJGXXTTEH-HBNTYKKESA-N 2 0 227.352 0.522 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000343418294 353880409 /nfs/dbraw/zinc/88/04/09/353880409.db2.gz LCFJXCFTWDBOEQ-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)[C@H]1C ZINC000343432619 353884270 /nfs/dbraw/zinc/88/42/70/353884270.db2.gz HHEMNJKRJVMOOC-BJDJZHNGSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H]1C[C@H](O)C[NH+]1CCC[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000343454335 353894514 /nfs/dbraw/zinc/89/45/14/353894514.db2.gz UKCVONJLOHOZQH-RNJOBUHISA-N 2 0 242.363 0.287 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000627108360 363266883 /nfs/dbraw/zinc/26/68/83/363266883.db2.gz SVQTXNUZQZLZCP-IUCAKERBSA-N 2 0 216.329 0.102 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000343497539 353913109 /nfs/dbraw/zinc/91/31/09/353913109.db2.gz DSDDBRVTALCBFG-KKOKHZNYSA-N 2 0 239.363 0.489 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](C)CC2)C1 ZINC000334539713 353927642 /nfs/dbraw/zinc/92/76/42/353927642.db2.gz MQRTUVZJXOPHGJ-GFCCVEGCSA-N 2 0 239.363 0.396 20 0 BCADRP CC1(C(=O)Nc2cccc3c2CC[NH2+]C3)C[NH2+]C1 ZINC000577947335 366125463 /nfs/dbraw/zinc/12/54/63/366125463.db2.gz RXFOAVKSLKIISJ-UHFFFAOYSA-N 2 0 245.326 0.880 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000343466946 353898710 /nfs/dbraw/zinc/89/87/10/353898710.db2.gz WDCRTVMRLSQLHX-GARJFASQSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000343469502 353899147 /nfs/dbraw/zinc/89/91/47/353899147.db2.gz XUICQUKRXVLETN-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP CCN(CC[NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000627111834 363271923 /nfs/dbraw/zinc/27/19/23/363271923.db2.gz VXOIFHYJNBQSMX-PHIMTYICSA-N 2 0 242.367 0.317 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000366844077 353983781 /nfs/dbraw/zinc/98/37/81/353983781.db2.gz MRWCWPGFTVPIMW-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000343775010 353985460 /nfs/dbraw/zinc/98/54/60/353985460.db2.gz TUWCIZMEORALKB-LLVKDONJSA-N 2 0 235.331 0.711 20 0 BCADRP CC[C@@]1(C(=O)NCC2([NH3+])CCC2)CCC[NH2+]1 ZINC000343793061 353997626 /nfs/dbraw/zinc/99/76/26/353997626.db2.gz ZZRFZRMRJWRKOD-LBPRGKRZSA-N 2 0 225.336 0.516 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000343643189 353951804 /nfs/dbraw/zinc/95/18/04/353951804.db2.gz PRVDPZFNFPFMIW-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000343645651 353952450 /nfs/dbraw/zinc/95/24/50/353952450.db2.gz DDHFQYCWCZFEDC-VHSXEESVSA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)(C[NH3+])NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627126117 363294762 /nfs/dbraw/zinc/29/47/62/363294762.db2.gz JVVWXYMZIOFIRL-SECBINFHSA-N 2 0 240.351 0.308 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627121122 363288744 /nfs/dbraw/zinc/28/87/44/363288744.db2.gz WAXXIVPUSZXKTB-KXUCPTDWSA-N 2 0 228.340 0.034 20 0 BCADRP CCC(CC)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031042 358482060 /nfs/dbraw/zinc/48/20/60/358482060.db2.gz DBFUUAFTTDJWKF-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000334579685 354127332 /nfs/dbraw/zinc/12/73/32/354127332.db2.gz IJETWUNCIYYVJW-SFYZADRCSA-N 2 0 235.278 0.083 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000334579667 354127383 /nfs/dbraw/zinc/12/73/83/354127383.db2.gz IJETWUNCIYYVJW-HTQZYQBOSA-N 2 0 235.278 0.083 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000038098261 358484391 /nfs/dbraw/zinc/48/43/91/358484391.db2.gz OQSVKCBNHRRIFA-LBPRGKRZSA-N 2 0 241.379 0.960 20 0 BCADRP CN(C(=O)CC[C@H]1CCC[NH2+]1)C1(C[NH3+])CCC1 ZINC000449684042 202002196 /nfs/dbraw/zinc/00/21/96/202002196.db2.gz KLNDSWILCMPBSW-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1(C[NH3+])CCC1 ZINC000449689467 202002348 /nfs/dbraw/zinc/00/23/48/202002348.db2.gz ZMAGIWPLVQAKKE-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000449703897 202004716 /nfs/dbraw/zinc/00/47/16/202004716.db2.gz HAWJAXYEZUAEJN-MNOVXSKESA-N 2 0 241.379 0.879 20 0 BCADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccon1 ZINC000639171798 354159237 /nfs/dbraw/zinc/15/92/37/354159237.db2.gz CWTUQGWIDQQZMG-UHFFFAOYSA-N 2 0 240.351 0.600 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000449707584 202007356 /nfs/dbraw/zinc/00/73/56/202007356.db2.gz RTMWQSHGIZWVDL-LLVKDONJSA-N 2 0 241.379 0.831 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449725947 202008032 /nfs/dbraw/zinc/00/80/32/202008032.db2.gz JLWNIGJBRLJVLO-SDDRHHMPSA-N 2 0 237.347 0.339 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000449724783 202008147 /nfs/dbraw/zinc/00/81/47/202008147.db2.gz NHEWCVKJTUPBSF-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[NH+](C)C ZINC000449723769 202008514 /nfs/dbraw/zinc/00/85/14/202008514.db2.gz MEJWKWBDAFGUBC-QJPTWQEYSA-N 2 0 241.379 0.816 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449745141 202017608 /nfs/dbraw/zinc/01/76/08/202017608.db2.gz BBWLQZMBZUMXBI-AXFHLTTASA-N 2 0 239.363 0.761 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000449745143 202017618 /nfs/dbraw/zinc/01/76/18/202017618.db2.gz BBWLQZMBZUMXBI-DCAQKATOSA-N 2 0 239.363 0.761 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000627134990 363351419 /nfs/dbraw/zinc/35/14/19/363351419.db2.gz KSQIUQAWYDPCCY-SNVBAGLBSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCCNCC2)CC[NH2+]1 ZINC000334587642 354213575 /nfs/dbraw/zinc/21/35/75/354213575.db2.gz YBOOIXLJDBRRSY-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP [NH3+][C@@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000334588778 354216196 /nfs/dbraw/zinc/21/61/96/354216196.db2.gz XKCRJJJICXLCLX-NWDGAFQWSA-N 2 0 211.353 0.799 20 0 BCADRP FC1(F)CNCC[C@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000334614745 354300210 /nfs/dbraw/zinc/30/02/10/354300210.db2.gz DRBVYCBUOKVIMB-WDEREUQCSA-N 2 0 247.333 0.963 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000178700749 366155681 /nfs/dbraw/zinc/15/56/81/366155681.db2.gz NSWUXMVOLDULFM-GWCFXTLKSA-N 2 0 247.342 0.727 20 0 BCADRP CN(C)CC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000344625075 354329347 /nfs/dbraw/zinc/32/93/47/354329347.db2.gz WEUVQZIMRLGNNN-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449749301 202019741 /nfs/dbraw/zinc/01/97/41/202019741.db2.gz FJCIGQHNPIEZGN-UWVGGRQHSA-N 2 0 227.352 0.631 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000334640308 354395288 /nfs/dbraw/zinc/39/52/88/354395288.db2.gz IXVDYXTYSDVYKG-CMPLNLGQSA-N 2 0 225.336 0.196 20 0 BCADRP CC1CC[NH+](CC(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000334659755 354456599 /nfs/dbraw/zinc/45/65/99/354456599.db2.gz CBKCNMAUOQZRPR-LBPRGKRZSA-N 2 0 239.363 0.668 20 0 BCADRP CC1(C)CN(C(=O)[C@H]([NH3+])C2CCC2)CC[NH2+]1 ZINC000334659936 354456673 /nfs/dbraw/zinc/45/66/73/354456673.db2.gz CUOLZBOZMWYXBQ-SNVBAGLBSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)C1CCC1 ZINC000334660080 354458478 /nfs/dbraw/zinc/45/84/78/354458478.db2.gz FCESAQKMIATZGA-RKDXNWHRSA-N 2 0 247.289 0.227 20 0 BCADRP CN(C(=O)C[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]CC1 ZINC000334663157 354463479 /nfs/dbraw/zinc/46/34/79/354463479.db2.gz AIEPNTIUELRACW-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000334722811 354522848 /nfs/dbraw/zinc/52/28/48/354522848.db2.gz KNSLPGGQHMDNRG-LLVKDONJSA-N 2 0 237.347 0.245 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](C)[C@H]1C ZINC000345327951 354611765 /nfs/dbraw/zinc/61/17/65/354611765.db2.gz UMBRKEFUIXVEPF-RYUDHWBXSA-N 2 0 241.379 0.926 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NCC[NH2+]CC ZINC000418319718 491066363 /nfs/dbraw/zinc/06/63/63/491066363.db2.gz RKPZUEJTEGHKDJ-SNVBAGLBSA-N 2 0 230.356 0.413 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CC(F)F)C1CC1 ZINC000345690766 354732697 /nfs/dbraw/zinc/73/26/97/354732697.db2.gz KXXBQJZZBMZNCM-BDAKNGLRSA-N 2 0 249.305 0.425 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000389573676 354819972 /nfs/dbraw/zinc/81/99/72/354819972.db2.gz CUSVMONMWIQQNY-HRDYMLBCSA-N 2 0 201.314 0.084 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CCC[NH3+] ZINC000627158318 363396399 /nfs/dbraw/zinc/39/63/99/363396399.db2.gz QWGPTZZFGLOGIR-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000627159734 363398471 /nfs/dbraw/zinc/39/84/71/363398471.db2.gz TWSOHTDYGHIMFS-OUAUKWLOSA-N 2 0 240.351 0.260 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@H](COC)C1 ZINC000234392262 363421467 /nfs/dbraw/zinc/42/14/67/363421467.db2.gz SDOZPTHAHZSVAK-NSHDSACASA-N 2 0 200.326 0.954 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CC[NH+](C)C ZINC000627165814 363406372 /nfs/dbraw/zinc/40/63/72/363406372.db2.gz HRSNYFYRDLOQEG-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335147558 354861082 /nfs/dbraw/zinc/86/10/82/354861082.db2.gz KJRRPVRDHRZTGQ-JQWIXIFHSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000335228071 355069950 /nfs/dbraw/zinc/06/99/50/355069950.db2.gz JCZBBWRZUGMKOQ-WCBMZHEXSA-N 2 0 211.309 0.029 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(Cc2cnc(N(C)C)nc2)C1 ZINC000346693022 355076104 /nfs/dbraw/zinc/07/61/04/355076104.db2.gz KJPMDRYGEWXMFM-JQWIXIFHSA-N 2 0 249.362 0.712 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000335215359 355053556 /nfs/dbraw/zinc/05/35/56/355053556.db2.gz HXVFLOAGIUCXIV-DGCLKSJQSA-N 2 0 237.347 0.150 20 0 BCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCC[NH+]1C ZINC000335220976 355061010 /nfs/dbraw/zinc/06/10/10/355061010.db2.gz YGOSXLROQKTOOX-VXGBXAGGSA-N 2 0 239.363 0.633 20 0 BCADRP CC[N@H+](CCn1cncn1)[C@H]1CCC[NH2+]CC1 ZINC000435629756 191325323 /nfs/dbraw/zinc/32/53/23/191325323.db2.gz YDYLKPXMRPRRGT-LBPRGKRZSA-N 2 0 237.351 0.742 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449758247 202025306 /nfs/dbraw/zinc/02/53/06/202025306.db2.gz ZPNKYRJYMNKPQB-DCAQKATOSA-N 2 0 239.363 0.631 20 0 BCADRP COC(=O)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000346831270 355129330 /nfs/dbraw/zinc/12/93/30/355129330.db2.gz KISPVCXGFFORLG-NSHDSACASA-N 2 0 226.320 0.481 20 0 BCADRP Cc1n[nH]cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346832645 355129644 /nfs/dbraw/zinc/12/96/44/355129644.db2.gz RHZFAQMLXIOKQL-ZMLRMANQSA-N 2 0 220.320 0.887 20 0 BCADRP COC(=O)[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000346836330 355131575 /nfs/dbraw/zinc/13/15/75/355131575.db2.gz OZTDNAOZXRCHGU-LBPRGKRZSA-N 2 0 240.347 0.871 20 0 BCADRP C[NH+](C)C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000346844088 355134257 /nfs/dbraw/zinc/13/42/57/355134257.db2.gz YTCCNBGUPKFKQZ-CHWSQXEVSA-N 2 0 241.379 0.248 20 0 BCADRP CC(C)C(=O)N[C@@H]1CCCN(CC(C)(C)[NH3+])C1 ZINC000346856779 355140197 /nfs/dbraw/zinc/14/01/97/355140197.db2.gz WKDHIEFHFNOFCR-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000040503640 358493784 /nfs/dbraw/zinc/49/37/84/358493784.db2.gz WXLANANQACWFBT-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@]1(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[NH2+]C1 ZINC000335241591 355176687 /nfs/dbraw/zinc/17/66/87/355176687.db2.gz TYKNJEGJTYVKOX-CHWSQXEVSA-N 2 0 239.363 0.492 20 0 BCADRP COC[C@@](C)(CCO)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000346982279 355184793 /nfs/dbraw/zinc/18/47/93/355184793.db2.gz NWDSKDODARMEJO-NWDGAFQWSA-N 2 0 230.352 0.363 20 0 BCADRP NC(=O)C[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000347002296 355200844 /nfs/dbraw/zinc/20/08/44/355200844.db2.gz ITEJVSYYUJIXGT-VXGBXAGGSA-N 2 0 239.363 0.573 20 0 BCADRP COC(=O)c1ccc(CN2CC[C@@H](C[NH3+])C2)[nH]1 ZINC000347015478 355206074 /nfs/dbraw/zinc/20/60/74/355206074.db2.gz JNUXVTLJMVWRFH-VIFPVBQESA-N 2 0 237.303 0.582 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000347633952 355242915 /nfs/dbraw/zinc/24/29/15/355242915.db2.gz UCMSQNKMLUDLKM-DBIOUOCHSA-N 2 0 225.336 0.371 20 0 BCADRP O[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000623748936 355297518 /nfs/dbraw/zinc/29/75/18/355297518.db2.gz OJWXEDZOSYKUIN-ZDEQEGDKSA-N 2 0 224.348 0.974 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000583502552 355331132 /nfs/dbraw/zinc/33/11/32/355331132.db2.gz UXETWNLHXNSOAJ-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH3+])C1 ZINC000166352982 355387114 /nfs/dbraw/zinc/38/71/14/355387114.db2.gz HYAFWPUHZFKSDY-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]1C[C@@H](C[NH2+]C2(CO)CCC2)CC[NH2+]1 ZINC000414713802 191554525 /nfs/dbraw/zinc/55/45/25/191554525.db2.gz UKOBXOFMCHRPIA-QWRGUYRKSA-N 2 0 212.337 0.879 20 0 BCADRP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC[NH2+]CC1 ZINC000335794760 355450660 /nfs/dbraw/zinc/45/06/60/355450660.db2.gz MYOCHWSGIYFQNJ-ZIAGYGMSSA-N 3 0 237.391 0.917 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000349943486 355533776 /nfs/dbraw/zinc/53/37/76/355533776.db2.gz ZVMVPNZZIZGGPG-RHYQMDGZSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000349961598 355541045 /nfs/dbraw/zinc/54/10/45/355541045.db2.gz MSQAIHWARFVKMD-VWYCJHECSA-N 2 0 227.352 0.713 20 0 BCADRP CCC[NH+]1CCC(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000415019977 191653605 /nfs/dbraw/zinc/65/36/05/191653605.db2.gz AMSGLKALDKFMCO-ITGUQSILSA-N 2 0 223.364 0.668 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000349987619 355546997 /nfs/dbraw/zinc/54/69/97/355546997.db2.gz LUQLCDKQOBSGHI-CKYFFXLPSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)C1CC[NH+](C)CC1 ZINC000349910949 355524900 /nfs/dbraw/zinc/52/49/00/355524900.db2.gz BAWHXAPDPGOEJW-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP O=C1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000415096287 191678106 /nfs/dbraw/zinc/67/81/06/191678106.db2.gz AWKBVPKGDLWKKS-GHMZBOCLSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC000415063368 191664673 /nfs/dbraw/zinc/66/46/73/191664673.db2.gz OFCLRDMMQRWKAU-KIJLLGNVSA-N 2 0 224.348 0.997 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000349984338 355569735 /nfs/dbraw/zinc/56/97/35/355569735.db2.gz DCOUWQNABKRDJC-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000582181804 355646237 /nfs/dbraw/zinc/64/62/37/355646237.db2.gz RUJZUEHGOKSNAP-YNEHKIRRSA-N 2 0 241.379 0.472 20 0 BCADRP CC(C)(C[NH3+])NC(=O)NCCC1CC[NH2+]CC1 ZINC000652323343 491082635 /nfs/dbraw/zinc/08/26/35/491082635.db2.gz FLBZRRZYNOZRIG-UHFFFAOYSA-N 2 0 242.367 0.413 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417318094 191792723 /nfs/dbraw/zinc/79/27/23/191792723.db2.gz KWBSNAMYPFGVCQ-GXSJLCMTSA-N 2 0 242.367 0.363 20 0 BCADRP CC[C@H](C(=O)N(C)CC[NH2+]C)[NH+](CC)CC ZINC000352092737 134061359 /nfs/dbraw/zinc/06/13/59/134061359.db2.gz WUMGXBIFHQBODF-LLVKDONJSA-N 2 0 229.368 0.785 20 0 BCADRP CC[NH2+]CCCNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000583614541 355832454 /nfs/dbraw/zinc/83/24/54/355832454.db2.gz PMHAXZAKCCGORR-QWRGUYRKSA-N 2 0 242.367 0.365 20 0 BCADRP NC(=O)CC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000043497702 181219052 /nfs/dbraw/zinc/21/90/52/181219052.db2.gz AOVDLDCHUCZSKM-UHFFFAOYSA-N 2 0 239.363 0.573 20 0 BCADRP C[NH+](C)CC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000350947112 355923694 /nfs/dbraw/zinc/92/36/94/355923694.db2.gz DRDLAOPXFXERQV-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000417825616 191931557 /nfs/dbraw/zinc/93/15/57/191931557.db2.gz BHKCTTUGMMQCGH-IUCAKERBSA-N 2 0 215.341 0.332 20 0 BCADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]12 ZINC000351488177 355999869 /nfs/dbraw/zinc/99/98/69/355999869.db2.gz DXWIAYJGXAXAPJ-SDDRHHMPSA-N 2 0 237.347 0.278 20 0 BCADRP C[NH2+]CCCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000418056363 191959168 /nfs/dbraw/zinc/95/91/68/191959168.db2.gz HLVAJKZOCLYHDJ-UHFFFAOYSA-N 2 0 242.367 0.379 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000584350435 356064437 /nfs/dbraw/zinc/06/44/37/356064437.db2.gz JRVJLRVXAUSORY-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@H](C(=O)N(CC)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000617553722 356110765 /nfs/dbraw/zinc/11/07/65/356110765.db2.gz OVURQJOWIWPDPV-NWDGAFQWSA-N 2 0 241.379 0.879 20 0 BCADRP CCC[N@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](C)C1 ZINC000617556773 356114289 /nfs/dbraw/zinc/11/42/89/356114289.db2.gz XHUCGKCVRJPWFA-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)C1=O ZINC000351867614 356102167 /nfs/dbraw/zinc/10/21/67/356102167.db2.gz YXNVNQFCPHHGLM-QJPTWQEYSA-N 2 0 239.363 0.665 20 0 BCADRP CC(C)N1CC[C@H]([N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)C1=O ZINC000351867616 356102535 /nfs/dbraw/zinc/10/25/35/356102535.db2.gz YXNVNQFCPHHGLM-SRVKXCTJSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H](C)[NH+](C)C ZINC000418270883 192009933 /nfs/dbraw/zinc/00/99/33/192009933.db2.gz ZIFQDIUORQPOGY-QWRGUYRKSA-N 2 0 244.383 0.753 20 0 BCADRP C[C@@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C)[NH+](C)C ZINC000418267342 192009972 /nfs/dbraw/zinc/00/99/72/192009972.db2.gz WJKGADGQYGOEEE-OUAUKWLOSA-N 2 0 242.367 0.315 20 0 BCADRP CC[C@@H](C(=O)N1CC[N@H+](C)CC[C@@H]1C)[NH+](C)C ZINC000336084041 134076050 /nfs/dbraw/zinc/07/60/50/134076050.db2.gz VFEFSSXGSFJOIP-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)NCCC[NH2+]C)CC1 ZINC000418281443 192014050 /nfs/dbraw/zinc/01/40/50/192014050.db2.gz DFFXSLGHJVVRQC-UHFFFAOYSA-N 2 0 242.367 0.333 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC1([NH3+])CCCCC1 ZINC000418296576 192020402 /nfs/dbraw/zinc/02/04/02/192020402.db2.gz LXPNOBBUGJPXHR-NXEZZACHSA-N 2 0 242.367 0.683 20 0 BCADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCC[NH3+] ZINC000418311524 192021758 /nfs/dbraw/zinc/02/17/58/192021758.db2.gz LZSIXHQODNHJNW-LLVKDONJSA-N 2 0 242.367 0.461 20 0 BCADRP [NH3+]CCCNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418310556 192022130 /nfs/dbraw/zinc/02/21/30/192022130.db2.gz KBSZNTSEADZMQX-LLVKDONJSA-N 2 0 242.367 0.542 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCC[NH3+] ZINC000418311523 192022162 /nfs/dbraw/zinc/02/21/62/192022162.db2.gz LZGXHCGILSOYNC-SNVBAGLBSA-N 2 0 230.356 0.350 20 0 BCADRP C[NH2+]CCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418314749 192023258 /nfs/dbraw/zinc/02/32/58/192023258.db2.gz FZITXACJOCETPL-VHSXEESVSA-N 2 0 228.340 0.023 20 0 BCADRP CC[NH2+]CCNC(=O)N(C)CC[NH+]1CCCC1 ZINC000418320649 192023798 /nfs/dbraw/zinc/02/37/98/192023798.db2.gz VUQSLPXQSMXLIK-UHFFFAOYSA-N 2 0 242.367 0.333 20 0 BCADRP CCC[NH2+]CCNC(=O)NCCC[NH2+]C1CC1 ZINC000418286979 192014826 /nfs/dbraw/zinc/01/48/26/192014826.db2.gz JFDOASCNSAZGLG-UHFFFAOYSA-N 2 0 242.367 0.427 20 0 BCADRP [NH3+]C1(CNC(=O)NCCC[NH2+]C2CC2)CCC1 ZINC000418290656 192016586 /nfs/dbraw/zinc/01/65/86/192016586.db2.gz SJFCNUZOHVALMO-UHFFFAOYSA-N 2 0 240.351 0.309 20 0 BCADRP C[C@@H]1CN(C(=O)NCCC[NH2+]C2CC2)CC[NH2+]1 ZINC000418291705 192016830 /nfs/dbraw/zinc/01/68/30/192016830.db2.gz WQZXRTSSCZVFGP-SNVBAGLBSA-N 2 0 240.351 0.132 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000332122188 356208882 /nfs/dbraw/zinc/20/88/82/356208882.db2.gz HUVQVUVSSIOBON-QWRGUYRKSA-N 2 0 239.363 0.618 20 0 BCADRP CN(CC1([NH+](C)C)CCC1)C(=O)NCC[NH3+] ZINC000418293833 192018551 /nfs/dbraw/zinc/01/85/51/192018551.db2.gz FYYHDGCKLFURBV-UHFFFAOYSA-N 2 0 228.340 0.071 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333150712 356263424 /nfs/dbraw/zinc/26/34/24/356263424.db2.gz FDVCOXPKTZBACC-GHMZBOCLSA-N 2 0 239.363 0.633 20 0 BCADRP CC1(C)CO[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000639456090 356241042 /nfs/dbraw/zinc/24/10/42/356241042.db2.gz AGDOWRLCKANYPC-TUAOUCFPSA-N 2 0 224.348 0.953 20 0 BCADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000617760942 356323720 /nfs/dbraw/zinc/32/37/20/356323720.db2.gz JVPZQWNXVRKCGK-QJPTWQEYSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@@H]1C[NH+](CC[C@H]2CC[NH2+]C2)C[C@@H](C)N1 ZINC000420301340 192207478 /nfs/dbraw/zinc/20/74/78/192207478.db2.gz VNRJGQRGFXGZLQ-IJLUTSLNSA-N 2 0 211.353 0.668 20 0 BCADRP [NH3+]CCN(CCO)CCC[NH+]1CCCCC1 ZINC000420298925 192205610 /nfs/dbraw/zinc/20/56/10/192205610.db2.gz AGGUHJODVUXBQW-UHFFFAOYSA-N 2 0 229.368 0.115 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420319083 192195145 /nfs/dbraw/zinc/19/51/45/192195145.db2.gz OUWBHBDHOYRENH-WDEREUQCSA-N 2 0 228.336 0.997 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420319080 192195259 /nfs/dbraw/zinc/19/52/59/192195259.db2.gz OUWBHBDHOYRENH-QWRGUYRKSA-N 2 0 228.336 0.997 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420319875 192195872 /nfs/dbraw/zinc/19/58/72/192195872.db2.gz ASFDWZPPZMKQSD-QWHCGFSZSA-N 3 0 241.379 0.283 20 0 BCADRP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420319228 192196000 /nfs/dbraw/zinc/19/60/00/192196000.db2.gz RINUTRYUKYXLHL-MJBXVCDLSA-N 3 0 237.391 0.917 20 0 BCADRP C[NH2+][C@@H]1CCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420274979 192198869 /nfs/dbraw/zinc/19/88/69/192198869.db2.gz PPKSBFKVDHUDNY-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H](C)N1 ZINC000420301341 192207066 /nfs/dbraw/zinc/20/70/66/192207066.db2.gz VNRJGQRGFXGZLQ-TUAOUCFPSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000617752375 356311506 /nfs/dbraw/zinc/31/15/06/356311506.db2.gz MVTNLYLTGSLJDX-MNOVXSKESA-N 2 0 227.352 0.395 20 0 BCADRP C[C@H](CN1CCOCC1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000420289985 192201230 /nfs/dbraw/zinc/20/12/30/192201230.db2.gz LAWUTOYIFHBOMN-GFCCVEGCSA-N 2 0 243.395 0.624 20 0 BCADRP CCOC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000420303971 192207175 /nfs/dbraw/zinc/20/71/75/192207175.db2.gz IDXRSKFLKVBMLJ-GARJFASQSA-N 2 0 226.320 0.609 20 0 BCADRP COC[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000420295268 192202479 /nfs/dbraw/zinc/20/24/79/192202479.db2.gz CCGJIAPFDYQIIW-QWHCGFSZSA-N 2 0 242.363 0.723 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420313489 192213143 /nfs/dbraw/zinc/21/31/43/192213143.db2.gz UCPFVKWWCYYLOG-QWRGUYRKSA-N 2 0 228.336 0.997 20 0 BCADRP C[N@H+](CCC1CC[NH2+]CC1)C1CC([NH3+])C1 ZINC000420331875 192214067 /nfs/dbraw/zinc/21/40/67/192214067.db2.gz MQGCAIYSLGZLFA-UHFFFAOYSA-N 3 0 211.353 0.798 20 0 BCADRP CNC(=O)c1cccc(CN(C)C2CC([NH3+])C2)c1 ZINC000420338542 192216188 /nfs/dbraw/zinc/21/61/88/192216188.db2.gz RWCOSFFHIRXGDB-UHFFFAOYSA-N 2 0 247.342 0.968 20 0 BCADRP CC(C)[C@H]1C(=O)NCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420307585 192209751 /nfs/dbraw/zinc/20/97/51/192209751.db2.gz RLSDGOVOUSEVFN-RYUDHWBXSA-N 2 0 239.363 0.442 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420309697 192210859 /nfs/dbraw/zinc/21/08/59/192210859.db2.gz FBOOAVCIVIXEDD-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420313487 192212155 /nfs/dbraw/zinc/21/21/55/192212155.db2.gz UCPFVKWWCYYLOG-GHMZBOCLSA-N 2 0 228.336 0.997 20 0 BCADRP COc1ccc([C@H](C[NH3+])CN(C)C2C[NH2+]C2)cc1 ZINC000420317430 192212715 /nfs/dbraw/zinc/21/27/15/192212715.db2.gz OOCCJSZMEQZHFZ-GFCCVEGCSA-N 2 0 249.358 0.641 20 0 BCADRP CCN(C)C(=O)CC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420371525 192226856 /nfs/dbraw/zinc/22/68/56/192226856.db2.gz XBDGTQAHQIDMPC-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C(CN(C1CC1)[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000420322640 192227319 /nfs/dbraw/zinc/22/73/19/192227319.db2.gz STARAMANOPKDKD-WCQYABFASA-N 2 0 223.364 0.812 20 0 BCADRP C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000420370185 192227674 /nfs/dbraw/zinc/22/76/74/192227674.db2.gz OUIMTSKHLCUOGG-FDYHWXHSSA-N 2 0 225.380 0.962 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCOCC2(CCC2)C1 ZINC000420372186 192228952 /nfs/dbraw/zinc/22/89/52/192228952.db2.gz LJRSHMWSTBWGPT-UHFFFAOYSA-N 2 0 228.336 0.464 20 0 BCADRP C[C@H]1CN(CC[N@H+](C)C2CC([NH3+])C2)CCO1 ZINC000420328983 192229330 /nfs/dbraw/zinc/22/93/30/192229330.db2.gz IPLZWINDGFPPIY-UNXYVOJBSA-N 2 0 227.352 0.129 20 0 BCADRP CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329520 192230010 /nfs/dbraw/zinc/23/00/10/192230010.db2.gz OMOGCSYQJDKUAY-NWDGAFQWSA-N 2 0 239.363 0.444 20 0 BCADRP CCOC(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420324324 192230340 /nfs/dbraw/zinc/23/03/40/192230340.db2.gz VJEHQQVNVDZHNP-NXEZZACHSA-N 2 0 214.309 0.609 20 0 BCADRP COCC1(C)CC[NH+](CCOCC[NH3+])CC1 ZINC000420372091 192230728 /nfs/dbraw/zinc/23/07/28/192230728.db2.gz KYFITIVISUZAAV-UHFFFAOYSA-N 2 0 230.352 0.710 20 0 BCADRP COC(=O)[C@@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420357026 192220004 /nfs/dbraw/zinc/22/00/04/192220004.db2.gz HJYSHGKAHPDBIQ-MNOVXSKESA-N 2 0 226.320 0.623 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000420361162 192221687 /nfs/dbraw/zinc/22/16/87/192221687.db2.gz MUHGSLAJCNTOEP-ZDUSSCGKSA-N 2 0 242.363 0.710 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCOC[C@H]1C1CC1 ZINC000420363884 192224683 /nfs/dbraw/zinc/22/46/83/192224683.db2.gz PYHLCZLMOPKNRY-NSHDSACASA-N 2 0 214.309 0.073 20 0 BCADRP CNC(=O)CCC[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420367771 192225000 /nfs/dbraw/zinc/22/50/00/192225000.db2.gz WCFUGAKUJXIOHR-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP CC(C)[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000420366443 192225531 /nfs/dbraw/zinc/22/55/31/192225531.db2.gz UOZYLSMLZGZABM-CYBMUJFWSA-N 2 0 241.379 0.248 20 0 BCADRP [NH3+]C[C@H]1C[N@H+](CC[C@@H]2CCCCO2)CCCO1 ZINC000420389877 192235755 /nfs/dbraw/zinc/23/57/55/192235755.db2.gz MIIZWWZEGVSXSZ-STQMWFEESA-N 2 0 242.363 0.995 20 0 BCADRP CNC(=O)[C@H]([NH2+]CCC1CC[NH2+]CC1)C(C)C ZINC000420399767 192237942 /nfs/dbraw/zinc/23/79/42/192237942.db2.gz ICZGUKLFXBYGPB-GFCCVEGCSA-N 2 0 241.379 0.736 20 0 BCADRP CC[C@H](C)[C@H](C)[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC000420400927 192238482 /nfs/dbraw/zinc/23/84/82/192238482.db2.gz IVSKCDQOKDLPSC-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@H](C)[C@@H](C)[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC000420400928 192238524 /nfs/dbraw/zinc/23/85/24/192238524.db2.gz IVSKCDQOKDLPSC-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP CO[C@]1(C[NH2+]CC2CC[NH+](C)CC2)CCOC1 ZINC000160136860 356423746 /nfs/dbraw/zinc/42/37/46/356423746.db2.gz KVXUDFYUQHMGBT-ZDUSSCGKSA-N 2 0 242.363 0.723 20 0 BCADRP CC[C@@H]1C[N@H+](CCc2cncn2C)C[C@@H]1O ZINC000639554575 356456703 /nfs/dbraw/zinc/45/67/03/356456703.db2.gz LIWKAELTFPHAHU-PWSUYJOCSA-N 2 0 223.320 0.665 20 0 BCADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C[NH2+]C ZINC000019512520 356484363 /nfs/dbraw/zinc/48/43/63/356484363.db2.gz FKGPBGDKPOKRAV-NSHDSACASA-N 2 0 229.368 0.833 20 0 BCADRP CC(C)(C)NC(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000019843088 356486153 /nfs/dbraw/zinc/48/61/53/356486153.db2.gz ZOHIWJBBYGWYLQ-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCc1cncn1C ZINC000639625523 356538341 /nfs/dbraw/zinc/53/83/41/356538341.db2.gz YLCKTNBLGGJEGP-GXSJLCMTSA-N 2 0 236.319 0.077 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000578130785 366291823 /nfs/dbraw/zinc/29/18/23/366291823.db2.gz DGKDKUPHFODYIO-UWVGGRQHSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)CCN1CCOCC1 ZINC000422913160 192504223 /nfs/dbraw/zinc/50/42/23/192504223.db2.gz PCXIFBUIEQZHTO-RWMBFGLXSA-N 2 0 243.395 0.813 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000422925108 192509325 /nfs/dbraw/zinc/50/93/25/192509325.db2.gz ZQYPNJBWYFFVJJ-GHMZBOCLSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)N(C)CC[NH+](C)C)C[NH2+]1 ZINC000627200194 363497901 /nfs/dbraw/zinc/49/79/01/363497901.db2.gz LUFQVYGEOFYMNR-GHMZBOCLSA-N 2 0 242.367 0.330 20 0 BCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1([NH3+])CCC1 ZINC000336215751 134136756 /nfs/dbraw/zinc/13/67/56/134136756.db2.gz HJQQFBZRUUFKHM-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)N[C@@]2(C)CC[NH2+]C2)C[NH2+]1 ZINC000627210368 363505124 /nfs/dbraw/zinc/50/51/24/363505124.db2.gz PUCTWNFOCCAANA-SCVCMEIPSA-N 2 0 240.351 0.178 20 0 BCADRP CCNC(=O)C(C)(C)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422964843 192528053 /nfs/dbraw/zinc/52/80/53/192528053.db2.gz JWRDJOIHXLSYDY-MNOVXSKESA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000422972578 192532563 /nfs/dbraw/zinc/53/25/63/192532563.db2.gz MGOJVPXEYFPPQV-JHJVBQTASA-N 2 0 241.379 0.031 20 0 BCADRP CS[C@H](CO)[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422974953 192533361 /nfs/dbraw/zinc/53/33/61/192533361.db2.gz FSYFIDVNRPTAIY-DOLQZWNJSA-N 2 0 220.382 0.814 20 0 BCADRP C(CN1CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000675056521 538478969 /nfs/dbraw/zinc/47/89/69/538478969.db2.gz LWQOJVZQLCYFHH-YHWZYXNKSA-N 2 0 223.364 0.812 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000423109488 192571216 /nfs/dbraw/zinc/57/12/16/192571216.db2.gz HGSGMEQICNPYKV-UTUOFQBUSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H](O)CCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761860 356679553 /nfs/dbraw/zinc/67/95/53/356679553.db2.gz FMTAQFZVIKYROW-OLZOCXBDSA-N 2 0 244.379 0.536 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C[NH+](C)C)C1 ZINC000167947749 134154951 /nfs/dbraw/zinc/15/49/51/134154951.db2.gz VDPPKISEOYTRGL-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP C[NH+](C)C[C@]1(O)CCCN(C[C@H]2CCCO2)C1 ZINC000639764625 356691134 /nfs/dbraw/zinc/69/11/34/356691134.db2.gz HQCQLBDDVCBJEV-CHWSQXEVSA-N 2 0 242.363 0.554 20 0 BCADRP COC(=O)C1(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000450399596 202153938 /nfs/dbraw/zinc/15/39/38/202153938.db2.gz DNPAXAOWQWTHDT-LLVKDONJSA-N 2 0 240.347 0.823 20 0 BCADRP [NH3+][C@@H](C(=O)N1CCC[NH2+]CC1)c1ccccc1 ZINC000035738362 356706350 /nfs/dbraw/zinc/70/63/50/356706350.db2.gz HZYVXKSTYNSICJ-GFCCVEGCSA-N 2 0 233.315 0.508 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)CCC[NH3+])CC1 ZINC000036135377 356706722 /nfs/dbraw/zinc/70/67/22/356706722.db2.gz AOQGEHMGZKHBKJ-UHFFFAOYSA-N 2 0 227.352 0.668 20 0 BCADRP C[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335625 356721411 /nfs/dbraw/zinc/72/14/11/356721411.db2.gz WCSXWLPRYVEPJA-UWVGGRQHSA-N 2 0 200.326 0.830 20 0 BCADRP C[N@@H+]1CC[C@@H]([NH2+]CCCO)CC1(C)C ZINC000623336485 356723842 /nfs/dbraw/zinc/72/38/42/356723842.db2.gz QPKOOBBDMPMRKA-SNVBAGLBSA-N 2 0 200.326 0.831 20 0 BCADRP C[C@H](C(=O)NCC[NH2+]C(C)(C)C)[NH+](C)C ZINC000639798388 356758700 /nfs/dbraw/zinc/75/87/00/356758700.db2.gz DBQASKLAQUNRHF-SECBINFHSA-N 2 0 215.341 0.441 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000390500863 356826621 /nfs/dbraw/zinc/82/66/21/356826621.db2.gz UALVIAUNVBXNJW-GMTAPVOTSA-N 2 0 230.352 0.048 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)C ZINC000358842180 356878494 /nfs/dbraw/zinc/87/84/94/356878494.db2.gz WQTQURUGMKKYMM-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CNC(=O)CCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623380510 356903946 /nfs/dbraw/zinc/90/39/46/356903946.db2.gz BRIKGQXYYHJLOI-LLVKDONJSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)[C@H]1CC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423207122 192627570 /nfs/dbraw/zinc/62/75/70/192627570.db2.gz RBEAIIWDLOKNPE-OLZOCXBDSA-N 2 0 225.380 0.916 20 0 BCADRP CC1(C)CN(C(=O)[C@@H]2CC23C[NH2+]C3)CC[C@@H]1[NH3+] ZINC000368486614 356973377 /nfs/dbraw/zinc/97/33/77/356973377.db2.gz CCVUOGVQQDAZLW-UWVGGRQHSA-N 2 0 237.347 0.182 20 0 BCADRP CC[C@@H](N[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423196591 192622803 /nfs/dbraw/zinc/62/28/03/192622803.db2.gz VQEPEDXIUFKBTK-UTUOFQBUSA-N 2 0 211.353 0.859 20 0 BCADRP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)C(C)C ZINC000423201143 192625231 /nfs/dbraw/zinc/62/52/31/192625231.db2.gz HRXLITIFLUJITG-LBPRGKRZSA-N 2 0 213.369 0.916 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000362910641 356950700 /nfs/dbraw/zinc/95/07/00/356950700.db2.gz LFCBKCLXGPMVPW-FNORWQNLSA-N 2 0 239.363 0.658 20 0 BCADRP CCC[N@H+](CCO)C[C@@H](O)CN(C)CC ZINC000389675043 357013722 /nfs/dbraw/zinc/01/37/22/357013722.db2.gz CEBACHRNUHVZPC-NSHDSACASA-N 2 0 218.341 0.003 20 0 BCADRP C[C@]1(CNC(=O)CCC[NH3+])CCC[NH2+]C1 ZINC000390582948 357102759 /nfs/dbraw/zinc/10/27/59/357102759.db2.gz XGSHHJALQKZADU-NSHDSACASA-N 2 0 213.325 0.231 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000390663052 357110266 /nfs/dbraw/zinc/11/02/66/357110266.db2.gz SUPCISPMHFGFRW-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)CCC[NH3+] ZINC000389914100 357066640 /nfs/dbraw/zinc/06/66/40/357066640.db2.gz LVCYSUNLZFFCPO-SECBINFHSA-N 2 0 201.314 0.215 20 0 BCADRP C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000390680904 357114393 /nfs/dbraw/zinc/11/43/93/357114393.db2.gz ZQXGWOPTTRKGRK-UTUOFQBUSA-N 2 0 211.353 0.655 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000582409955 357137314 /nfs/dbraw/zinc/13/73/14/357137314.db2.gz LSZAOHHDVBFPKB-CMPLNLGQSA-N 2 0 227.352 0.762 20 0 BCADRP CC(C)[C@@H](C(=O)NCC1CC[NH2+]CC1)[C@@H](C)[NH3+] ZINC000582415085 357140596 /nfs/dbraw/zinc/14/05/96/357140596.db2.gz XSSDJJBMNVZAQG-ZYHUDNBSSA-N 2 0 241.379 0.722 20 0 BCADRP C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)[C@H](C)[NH3+] ZINC000582419790 357143387 /nfs/dbraw/zinc/14/33/87/357143387.db2.gz HLVKSBVXNPWWBM-UMNHJUIQSA-N 2 0 235.331 0.408 20 0 BCADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423248762 192651060 /nfs/dbraw/zinc/65/10/60/192651060.db2.gz NSOBSFVEBKUXGH-UTUOFQBUSA-N 3 0 211.353 0.716 20 0 BCADRP CN(C(=O)CC1(C[NH3+])CC1)[C@H](C[NH3+])C1CC1 ZINC000583692789 357179243 /nfs/dbraw/zinc/17/92/43/357179243.db2.gz DBNIQUJHAIIDBC-SNVBAGLBSA-N 2 0 225.336 0.311 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CO)CC1 ZINC000393564976 357287692 /nfs/dbraw/zinc/28/76/92/357287692.db2.gz QBXUWYUQWFJHNK-OLZOCXBDSA-N 2 0 244.379 0.393 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000393808208 357301219 /nfs/dbraw/zinc/30/12/19/357301219.db2.gz ROGOEDCXUPZOQJ-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP COCCN(C)C[C@@H](O)C[N@@H+]1CCCC1(C)C ZINC000393882839 357304969 /nfs/dbraw/zinc/30/49/69/357304969.db2.gz NLVHKNFYJTZDPS-GFCCVEGCSA-N 2 0 244.379 0.800 20 0 BCADRP O=C(C[NH2+]CC1CC1)NCC[N@H+]1CC=CCC1 ZINC000392843652 357245424 /nfs/dbraw/zinc/24/54/24/357245424.db2.gz VOUBDLXPNRTEKX-UHFFFAOYSA-N 2 0 237.347 0.364 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000392857763 357254120 /nfs/dbraw/zinc/25/41/20/357254120.db2.gz MNOYPDXYXOHCGB-LLVKDONJSA-N 2 0 225.336 0.348 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217362535 357259928 /nfs/dbraw/zinc/25/99/28/357259928.db2.gz JHOFEGXERBREBJ-UWVGGRQHSA-N 2 0 225.336 0.467 20 0 BCADRP O=C(C[NH2+]C1CC1)NCC[N@H+]1CC=CCC1 ZINC000392875203 357261590 /nfs/dbraw/zinc/26/15/90/357261590.db2.gz FXGMQTIWNWFEIX-UHFFFAOYSA-N 2 0 223.320 0.117 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN1CCC([NH2+]C(C)C)CC1 ZINC000583697959 357271803 /nfs/dbraw/zinc/27/18/03/357271803.db2.gz DYNBQLOXOUESOY-CYBMUJFWSA-N 2 0 243.395 0.419 20 0 BCADRP CCOC[C@@H]1CC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000582490291 357319585 /nfs/dbraw/zinc/31/95/85/357319585.db2.gz ACPHNMAPTHDRNC-NEPJUHHUSA-N 2 0 230.352 0.315 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000582605313 357349401 /nfs/dbraw/zinc/34/94/01/357349401.db2.gz PJNKCHMXJJABAM-JQWIXIFHSA-N 2 0 235.331 0.582 20 0 BCADRP CCN(C)C[C@@H](O)C[N@@H+]1CC[C@](C)(COC)C1 ZINC000394479666 357351229 /nfs/dbraw/zinc/35/12/29/357351229.db2.gz CNCGXUKUQLIBBR-OLZOCXBDSA-N 2 0 244.379 0.657 20 0 BCADRP Cc1n[nH]cc1CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000582780438 357390541 /nfs/dbraw/zinc/39/05/41/357390541.db2.gz PKQAUIMRSMWOPO-LBPRGKRZSA-N 2 0 238.335 0.263 20 0 BCADRP C[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)C1C[NH2+]C1 ZINC000582785134 357392329 /nfs/dbraw/zinc/39/23/29/357392329.db2.gz WEHYRDQLPNYRKZ-GBIKHYSHSA-N 2 0 239.363 0.285 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247016 357404019 /nfs/dbraw/zinc/40/40/19/357404019.db2.gz RHXPHGOBIQTNCB-VIFPVBQESA-N 2 0 200.282 0.220 20 0 BCADRP Cn1nncc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000395040589 357409681 /nfs/dbraw/zinc/40/96/81/357409681.db2.gz XNCBQJOGZMXBHX-PHIMTYICSA-N 2 0 235.335 0.247 20 0 BCADRP CC(C)[NH2+]CCC(=O)N(C)C1(C[NH3+])CCC1 ZINC000582835535 357411725 /nfs/dbraw/zinc/41/17/25/357411725.db2.gz WYASXCAZUFUPLF-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]C ZINC000582844350 357415098 /nfs/dbraw/zinc/41/50/98/357415098.db2.gz JBYGEQPUXWLWJO-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CC[NH2+]C2CC2)CC[NH2+]1 ZINC000582857024 357422061 /nfs/dbraw/zinc/42/20/61/357422061.db2.gz WTFYMGSEALEUFQ-KOLCDFICSA-N 2 0 225.336 0.385 20 0 BCADRP C[NH2+]CCC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000582903716 357427108 /nfs/dbraw/zinc/42/71/08/357427108.db2.gz GCOWXPJQRMGCNM-SNVBAGLBSA-N 2 0 235.331 0.932 20 0 BCADRP [NH3+]C[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000582903584 357427475 /nfs/dbraw/zinc/42/74/75/357427475.db2.gz AFYTUCFFUKJAAB-KOLCDFICSA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000582961748 357439190 /nfs/dbraw/zinc/43/91/90/357439190.db2.gz BIROMEISTZDHCB-SNVBAGLBSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H](c1cccnc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397048961 357499526 /nfs/dbraw/zinc/49/95/26/357499526.db2.gz QEYZBOSAGPSVPX-LLVKDONJSA-N 2 0 235.331 0.928 20 0 BCADRP CC[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000583018729 357450098 /nfs/dbraw/zinc/45/00/98/357450098.db2.gz LXNDPGPGIUZEEY-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH3+] ZINC000583023699 357452481 /nfs/dbraw/zinc/45/24/81/357452481.db2.gz GJYRLVSOGAFTIQ-MNOVXSKESA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NC(C)(C)CC[NH3+] ZINC000583079366 357473710 /nfs/dbraw/zinc/47/37/10/357473710.db2.gz QYTRSQPBLYCZIO-HTQZYQBOSA-N 2 0 201.314 0.213 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[NH2+]1 ZINC000230711098 357572601 /nfs/dbraw/zinc/57/26/01/357572601.db2.gz JOPPSGLPNYHRPC-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](C)[NH3+] ZINC000132002416 325194547 /nfs/dbraw/zinc/19/45/47/325194547.db2.gz RQNLZDLCRNWXMJ-DTWKUNHWSA-N 2 0 201.314 0.165 20 0 BCADRP CC(C)CC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178481 357552738 /nfs/dbraw/zinc/55/27/38/357552738.db2.gz FUBNUMPKDRUQOG-LBPRGKRZSA-N 2 0 241.379 0.819 20 0 BCADRP CCCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063178694 357552904 /nfs/dbraw/zinc/55/29/04/357552904.db2.gz HAKCACGZBSXQBY-LLVKDONJSA-N 2 0 227.352 0.573 20 0 BCADRP C[NH2+]CC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188705528 357565841 /nfs/dbraw/zinc/56/58/41/357565841.db2.gz RQZJFVGBQNAILM-UHFFFAOYSA-N 2 0 219.288 0.125 20 0 BCADRP CN(C(=O)[C@H]1C[C@H](F)C[NH2+]1)C1CC[NH+](C)CC1 ZINC000188801593 357587336 /nfs/dbraw/zinc/58/73/36/357587336.db2.gz KSBULHXQLPNAIP-GXSJLCMTSA-N 2 0 243.326 0.239 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000397552042 357597507 /nfs/dbraw/zinc/59/75/07/357597507.db2.gz XFZRCEZIDKPEEK-LLVKDONJSA-N 2 0 242.363 0.600 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000040469072 357608988 /nfs/dbraw/zinc/60/89/88/357608988.db2.gz RTFREHCGZIXSED-BDAKNGLRSA-N 2 0 233.381 0.133 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000160676874 538885812 /nfs/dbraw/zinc/88/58/12/538885812.db2.gz BWJWMSPBPWGMFW-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH+](CC)CCNC(=O)C[N@H+](C)C(C)C ZINC000063465858 357659627 /nfs/dbraw/zinc/65/96/27/357659627.db2.gz DPJZIIGDDSGADU-UHFFFAOYSA-N 2 0 229.368 0.785 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NCCCC[NH3+] ZINC000232808815 357685602 /nfs/dbraw/zinc/68/56/02/357685602.db2.gz IWHVOEQSIHBJNW-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000392853397 357686642 /nfs/dbraw/zinc/68/66/42/357686642.db2.gz BBIHUPYSBQHVSG-UHFFFAOYSA-N 2 0 225.336 0.349 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH3+])[C@@H](C)[NH3+] ZINC000583262653 357750785 /nfs/dbraw/zinc/75/07/85/357750785.db2.gz NGNUXYKOWTUHHT-IWSPIJDZSA-N 2 0 201.314 0.069 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CCN(C)C(C)C ZINC000234717740 357820171 /nfs/dbraw/zinc/82/01/71/357820171.db2.gz IMGXVAWPEFDZQZ-GFCCVEGCSA-N 2 0 231.384 0.670 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192471714 357835416 /nfs/dbraw/zinc/83/54/16/357835416.db2.gz DJJWMVKAPKKQIM-QWHCGFSZSA-N 2 0 244.379 0.969 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cncn2C)CC1 ZINC000085170827 134224545 /nfs/dbraw/zinc/22/45/45/134224545.db2.gz RVZJLEFBPVMPHM-SNVBAGLBSA-N 2 0 222.336 0.979 20 0 BCADRP C[C@H]1C[C@H](C(=O)N2CCC[N@H+](C)CC2)CC[NH2+]1 ZINC000235669078 357927212 /nfs/dbraw/zinc/92/72/12/357927212.db2.gz OUSKZRIEJJRGMW-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N2CCC[N@H+](C)CC2)CC[NH2+]1 ZINC000235682452 357927968 /nfs/dbraw/zinc/92/79/68/357927968.db2.gz OUSKZRIEJJRGMW-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)C1CCC1 ZINC000584408574 357912930 /nfs/dbraw/zinc/91/29/30/357912930.db2.gz HGYUNELYNRMODO-YUSALJHKSA-N 2 0 239.363 0.748 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)CC2CC[NH2+]CC2)C1 ZINC000584412276 357914931 /nfs/dbraw/zinc/91/49/31/357914931.db2.gz WKCXGZOFLGUQST-VXGBXAGGSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)CC2CC[NH2+]CC2)C1 ZINC000584412274 357915175 /nfs/dbraw/zinc/91/51/75/357915175.db2.gz WKCXGZOFLGUQST-RYUDHWBXSA-N 2 0 239.363 0.620 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000583754962 357934928 /nfs/dbraw/zinc/93/49/28/357934928.db2.gz YOOCZKZIYBIYAE-OLZOCXBDSA-N 2 0 247.342 0.808 20 0 BCADRP C[C@H]([NH2+]C[C@H](CO)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000584463673 357979857 /nfs/dbraw/zinc/97/98/57/357979857.db2.gz DDDBTZSHAVLERN-WCFLWFBJSA-N 2 0 226.364 0.983 20 0 BCADRP CCc1nncn1CC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000546677865 325300765 /nfs/dbraw/zinc/30/07/65/325300765.db2.gz PITFYPBHAYVXCP-MNOVXSKESA-N 2 0 237.351 0.380 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)CC[NH2+]C1CC1 ZINC000220046810 358024341 /nfs/dbraw/zinc/02/43/41/358024341.db2.gz CTKHYQJUWNEOTD-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000036871367 358055874 /nfs/dbraw/zinc/05/58/74/358055874.db2.gz FXKXMVMLOAVYOC-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000584529224 358042154 /nfs/dbraw/zinc/04/21/54/358042154.db2.gz VWCAOPHUWBBAAQ-QXEWZRGKSA-N 2 0 221.304 0.538 20 0 BCADRP CC(C)[NH+]1CCC([NH2+]CCC(N)=O)CC1 ZINC000036747060 358047445 /nfs/dbraw/zinc/04/74/45/358047445.db2.gz NEVROXBXFGWITA-UHFFFAOYSA-N 2 0 213.325 0.324 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000037484894 358073169 /nfs/dbraw/zinc/07/31/69/358073169.db2.gz XMMQGGJSKJBKQH-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH2+]C(C)C ZINC000037618227 358084198 /nfs/dbraw/zinc/08/41/98/358084198.db2.gz OUAIMLQCIRXUIY-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP CN(C(=O)[C@@]1(C)CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000584580434 358085726 /nfs/dbraw/zinc/08/57/26/358085726.db2.gz WBJOLPHYXFPDMJ-PWSUYJOCSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000221635453 358101761 /nfs/dbraw/zinc/10/17/61/358101761.db2.gz DCSYDWVBKSIEFD-QJPTWQEYSA-N 2 0 239.363 0.537 20 0 BCADRP CCN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000038124908 358117266 /nfs/dbraw/zinc/11/72/66/358117266.db2.gz TVBQJDMINZTRSY-UHFFFAOYSA-N 2 0 212.337 0.833 20 0 BCADRP CC(C)([NH3+])CCC(=O)NC1CC[NH2+]CC1 ZINC000390375204 491122106 /nfs/dbraw/zinc/12/21/06/491122106.db2.gz XITFHOJGUOBJTE-UHFFFAOYSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H]1C[C@@H]1C[N@H+](C)CC(=O)N1CCN(C)CC1 ZINC000640065697 358153570 /nfs/dbraw/zinc/15/35/70/358153570.db2.gz ZSRIVVNBRVZYDB-VXGBXAGGSA-N 2 0 239.363 0.348 20 0 BCADRP CO[C@]1(C[NH2+]CCC[NH+]2CCCC2)CCOC1 ZINC000160329955 358136775 /nfs/dbraw/zinc/13/67/75/358136775.db2.gz XKXAWJIVOQDTIB-ZDUSSCGKSA-N 2 0 242.363 0.867 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000584779410 358176372 /nfs/dbraw/zinc/17/63/72/358176372.db2.gz OKBZZFHPBHDYHI-TUAOUCFPSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000584781955 358177248 /nfs/dbraw/zinc/17/72/48/358177248.db2.gz QXPWPKUQBDZTEB-GWCFXTLKSA-N 2 0 239.363 0.620 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])C1 ZINC000584833766 358196012 /nfs/dbraw/zinc/19/60/12/358196012.db2.gz NYTCLSZJVQIXIG-MXWKQRLJSA-N 2 0 227.352 0.426 20 0 BCADRP COCC[N@H+](C)CCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000584850671 358209241 /nfs/dbraw/zinc/20/92/41/358209241.db2.gz QFLDGONIUYMNQH-QWHCGFSZSA-N 2 0 243.395 0.814 20 0 BCADRP COCC[N@H+](C)CCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000584850670 358209454 /nfs/dbraw/zinc/20/94/54/358209454.db2.gz QFLDGONIUYMNQH-OLZOCXBDSA-N 2 0 243.395 0.814 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000086068382 358209496 /nfs/dbraw/zinc/20/94/96/358209496.db2.gz UVGQOIGIFNNDDD-GHMZBOCLSA-N 2 0 227.352 0.300 20 0 BCADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(=O)N(C)C ZINC000222925391 358216117 /nfs/dbraw/zinc/21/61/17/358216117.db2.gz ZCOIUHWYKISFMP-AEJSXWLSSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H](CN1CCOCC1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222928295 358216376 /nfs/dbraw/zinc/21/63/76/358216376.db2.gz VTAOTEQWIJLMCJ-JHJVBQTASA-N 2 0 241.379 0.567 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH3+])C1 ZINC000040624440 358243973 /nfs/dbraw/zinc/24/39/73/358243973.db2.gz AGWAACZGTXWJKZ-UWVGGRQHSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NCCCC[NH3+] ZINC000040832526 358246713 /nfs/dbraw/zinc/24/67/13/358246713.db2.gz YIGVKPHGLZYUJN-MRVPVSSYSA-N 2 0 201.314 0.215 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@H]([NH3+])CC)CC1 ZINC000040829711 358246864 /nfs/dbraw/zinc/24/68/64/358246864.db2.gz LSQZBNNFHJWQEG-LLVKDONJSA-N 2 0 227.352 0.714 20 0 BCADRP CCOCCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000083552473 491126492 /nfs/dbraw/zinc/12/64/92/491126492.db2.gz WUKMFRBACCPDGI-UHFFFAOYSA-N 2 0 229.368 0.250 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H](C)C[NH3+] ZINC000218875331 134265445 /nfs/dbraw/zinc/26/54/45/134265445.db2.gz MPDKQOFEHYXRND-SNVBAGLBSA-N 2 0 215.341 0.429 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000225861450 358313184 /nfs/dbraw/zinc/31/31/84/358313184.db2.gz BHDOVZHGTVVRBF-UPJWGTAASA-N 2 0 242.363 0.600 20 0 BCADRP COC[C@@H](C)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000225713288 358331589 /nfs/dbraw/zinc/33/15/89/358331589.db2.gz AMIQBOVPCKCZJV-QWRGUYRKSA-N 2 0 200.326 0.940 20 0 BCADRP C[NH+](C)CCCCNC(=O)C[NH2+]C1CC1 ZINC000041679616 358333861 /nfs/dbraw/zinc/33/38/61/358333861.db2.gz HJKCNNBTOGNISK-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)NCCC[NH3+])cc1 ZINC000228072639 358368361 /nfs/dbraw/zinc/36/83/61/358368361.db2.gz QFENSCBBWGXPEN-LLVKDONJSA-N 2 0 221.304 0.460 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)NCCCC[NH3+])cc1 ZINC000228095071 358368580 /nfs/dbraw/zinc/36/85/80/358368580.db2.gz VMWDZLPUSQBGIK-GFCCVEGCSA-N 2 0 235.331 0.850 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)CCCC[NH3+] ZINC000227833549 358364432 /nfs/dbraw/zinc/36/44/32/358364432.db2.gz CWPNFLPUIXGNFZ-UHFFFAOYSA-N 2 0 229.368 0.964 20 0 BCADRP [NH3+]CCCCNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000043595794 358383373 /nfs/dbraw/zinc/38/33/73/358383373.db2.gz GQXJZKDOAYLHNG-CYBMUJFWSA-N 2 0 247.342 0.729 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000043605774 358384452 /nfs/dbraw/zinc/38/44/52/358384452.db2.gz QHKGXEORLNOXEI-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)CC[NH2+]C1CC1 ZINC000230710470 358410422 /nfs/dbraw/zinc/41/04/22/358410422.db2.gz BIKZHTKWAFZIEZ-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC1CC[NH+](CC)CC1 ZINC000044526766 358389366 /nfs/dbraw/zinc/38/93/66/358389366.db2.gz XJPWRIKNWLYRIA-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP CC[NH+]1CCC(C[NH2+]C[C@H](C)O)CC1 ZINC000044518454 358389760 /nfs/dbraw/zinc/38/97/60/358389760.db2.gz BUBJNMZRRSGOPS-JTQLQIEISA-N 2 0 200.326 0.689 20 0 BCADRP COCCOCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000044725578 358392523 /nfs/dbraw/zinc/39/25/23/358392523.db2.gz QDUZDNVTXACRNN-QWRGUYRKSA-N 2 0 216.325 0.461 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H](C)C[NH3+] ZINC000045708987 358416221 /nfs/dbraw/zinc/41/62/21/358416221.db2.gz RDJBXCOCROBZNK-SNVBAGLBSA-N 2 0 215.341 0.381 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)C[NH3+])C1 ZINC000045135576 358417807 /nfs/dbraw/zinc/41/78/07/358417807.db2.gz TYXWYLDIRDPVBW-QWRGUYRKSA-N 2 0 227.352 0.428 20 0 BCADRP CN(CC[NH+]1CCCC1)C(=O)NCC(C)(C)[NH3+] ZINC000418418742 358432719 /nfs/dbraw/zinc/43/27/19/358432719.db2.gz YGHLGEKVQVTXMW-UHFFFAOYSA-N 2 0 242.367 0.461 20 0 BCADRP CC[C@@](C)(O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193598823 358433928 /nfs/dbraw/zinc/43/39/28/358433928.db2.gz SWHNWXBMVQVKAY-GRYCIOLGSA-N 2 0 212.337 0.641 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726724 358552848 /nfs/dbraw/zinc/55/28/48/358552848.db2.gz BCSCPJHJYOHSDC-CMPLNLGQSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C1(C[NH3+])CCCC1 ZINC000044763839 358553256 /nfs/dbraw/zinc/55/32/56/358553256.db2.gz ZLQAZQKBGZBQFZ-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H](C)C[NH3+] ZINC000044808141 358555122 /nfs/dbraw/zinc/55/51/22/358555122.db2.gz JKQBDXBGBPVFQB-NSHDSACASA-N 2 0 229.368 0.627 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[N@H+](C)CC1 ZINC000086270764 358567251 /nfs/dbraw/zinc/56/72/51/358567251.db2.gz DWYSSELZBUHJKG-MNOVXSKESA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[N@H+](C)CC1 ZINC000086270763 358567336 /nfs/dbraw/zinc/56/73/36/358567336.db2.gz DWYSSELZBUHJKG-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000131910696 491133867 /nfs/dbraw/zinc/13/38/67/491133867.db2.gz VQPWLJIJJKBOHI-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000130429927 358625694 /nfs/dbraw/zinc/62/56/94/358625694.db2.gz MLQGMVFOPXQPKW-LBPRGKRZSA-N 2 0 241.379 0.738 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000158461469 358692355 /nfs/dbraw/zinc/69/23/55/358692355.db2.gz RNZGXDHMGUGMJS-UWVGGRQHSA-N 2 0 211.309 0.078 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000131770832 358692393 /nfs/dbraw/zinc/69/23/93/358692393.db2.gz GJBRATWYDDYCMP-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@H]([NH3+])C1 ZINC000131759666 358692833 /nfs/dbraw/zinc/69/28/33/358692833.db2.gz MDDLJZNTUSYXTG-NWDGAFQWSA-N 2 0 233.315 0.116 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C[NH2+]CC1CC1 ZINC000049559758 358694796 /nfs/dbraw/zinc/69/47/96/358694796.db2.gz LXSWGGRNSNRQOZ-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H]1CCC[NH2+]C1 ZINC000131865930 358697256 /nfs/dbraw/zinc/69/72/56/358697256.db2.gz DUWAALGEJPNNQT-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000131858859 358697875 /nfs/dbraw/zinc/69/78/75/358697875.db2.gz IHZFYMBRQOFPAR-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000131959652 358701356 /nfs/dbraw/zinc/70/13/56/358701356.db2.gz GNOQQCOKEDJYGM-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC(=O)N(C)C ZINC000133072845 358744237 /nfs/dbraw/zinc/74/42/37/358744237.db2.gz ZKQYYUMJLGCYKI-MNOVXSKESA-N 2 0 227.352 0.395 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000050458966 358730123 /nfs/dbraw/zinc/73/01/23/358730123.db2.gz CCIXCHSXMQPGRS-MNOVXSKESA-N 2 0 225.336 0.276 20 0 BCADRP CCC[C@H](C)[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298659 358820969 /nfs/dbraw/zinc/82/09/69/358820969.db2.gz NMAJRCMPUCQILQ-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CC[C@@]1(C(=O)NC[C@H](C)C[NH2+]C)CCC[NH2+]1 ZINC000134368362 358788265 /nfs/dbraw/zinc/78/82/65/358788265.db2.gz VRKKLNMAKIIBMD-PWSUYJOCSA-N 2 0 227.352 0.490 20 0 BCADRP CC[C@@]1(C(=O)N2CCC[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000134366718 358788326 /nfs/dbraw/zinc/78/83/26/358788326.db2.gz YMJVFDVPFJOITL-AAEUAGOBSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000134547960 358795136 /nfs/dbraw/zinc/79/51/36/358795136.db2.gz LGCIQSKQKLLBRU-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP O[C@H](C[NH2+]C1CCSCC1)C[NH+]1CCCC1 ZINC000136222156 358868907 /nfs/dbraw/zinc/86/89/07/358868907.db2.gz BEMRUSUAHVILRY-GFCCVEGCSA-N 2 0 244.404 0.928 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000564082931 358848604 /nfs/dbraw/zinc/84/86/04/358848604.db2.gz CARFPXSNEMJTMJ-CMPLNLGQSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CC[NH2+]C1 ZINC000137485681 358896284 /nfs/dbraw/zinc/89/62/84/358896284.db2.gz VKQZECZJOXEMSA-PWSUYJOCSA-N 2 0 225.336 0.230 20 0 BCADRP COCCOCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086403787 358968636 /nfs/dbraw/zinc/96/86/36/358968636.db2.gz DDNLZTCYDMPVTG-MNOVXSKESA-N 2 0 216.325 0.509 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000059931454 358921239 /nfs/dbraw/zinc/92/12/39/358921239.db2.gz MQDDIDPOWSNXDI-MWLCHTKSSA-N 2 0 227.352 0.570 20 0 BCADRP O[C@@H](C[NH2+][C@H]1CCCOC1)C[NH+]1CCCC1 ZINC000071013817 359070414 /nfs/dbraw/zinc/07/04/14/359070414.db2.gz VCDARDRTDXJGJA-RYUDHWBXSA-N 2 0 228.336 0.212 20 0 BCADRP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247076709 359192156 /nfs/dbraw/zinc/19/21/56/359192156.db2.gz HRDOBUXIRUCKIB-STQMWFEESA-N 2 0 244.379 0.656 20 0 BCADRP CCCNC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246580440 359148548 /nfs/dbraw/zinc/14/85/48/359148548.db2.gz FJZTYWDGWOZZCJ-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000246947792 359175427 /nfs/dbraw/zinc/17/54/27/359175427.db2.gz MBWJBAPSNKRKRH-DCAQKATOSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000246947817 359176197 /nfs/dbraw/zinc/17/61/97/359176197.db2.gz MBWJBAPSNKRKRH-GARJFASQSA-N 2 0 225.336 0.230 20 0 BCADRP COC[C@]1(CN[C@@H]2C[NH2+]CC[C@H]2C)CCC[NH2+]1 ZINC000423417247 192749626 /nfs/dbraw/zinc/74/96/26/192749626.db2.gz SCUZMVAQIQLDBY-JHJVBQTASA-N 2 0 241.379 0.343 20 0 BCADRP c1cn(CC[NH2+]CC2CC[NH2+]CC2)cn1 ZINC000086700825 359355515 /nfs/dbraw/zinc/35/55/15/359355515.db2.gz XCXXWXYNAQAHMV-UHFFFAOYSA-N 2 0 208.309 0.472 20 0 BCADRP C[C@H](C(N)=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152488137 359334745 /nfs/dbraw/zinc/33/47/45/359334745.db2.gz FEMOGENPPBLSPT-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP CN(C(=O)C[NH2+]C1CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000572282828 359349392 /nfs/dbraw/zinc/34/93/92/359349392.db2.gz QFTAHIPAYCVQBP-LBPRGKRZSA-N 2 0 237.347 0.434 20 0 BCADRP CC[C@@H](NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCC[NH2+]1 ZINC000423495731 192794356 /nfs/dbraw/zinc/79/43/56/192794356.db2.gz VCOBFOZVVOEGNA-XQQFMLRXSA-N 2 0 241.379 0.485 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)[C@H]1C ZINC000423496779 192794837 /nfs/dbraw/zinc/79/48/37/192794837.db2.gz XQHPCCNEDXZULA-RHYQMDGZSA-N 2 0 212.337 0.999 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H]1C)[NH+](C)C ZINC000423656171 192820487 /nfs/dbraw/zinc/82/04/87/192820487.db2.gz WLLPFVALYMUTSL-GMTAPVOTSA-N 2 0 227.352 0.521 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)C1(C)C[NH2+]C1 ZINC000423674213 192821414 /nfs/dbraw/zinc/82/14/14/192821414.db2.gz ATLHNRQNZJARTP-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H](O)[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000580431571 359543031 /nfs/dbraw/zinc/54/30/31/359543031.db2.gz REEUTEJLPKBRKU-JHJVBQTASA-N 2 0 244.379 0.438 20 0 BCADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)[C@H](C)O ZINC000580431570 359543125 /nfs/dbraw/zinc/54/31/25/359543125.db2.gz REEUTEJLPKBRKU-FRRDWIJNSA-N 2 0 244.379 0.438 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000580429854 359547204 /nfs/dbraw/zinc/54/72/04/359547204.db2.gz FMIZGZADFBWDFZ-TUAOUCFPSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCCC[NH3+] ZINC000580442576 359551522 /nfs/dbraw/zinc/55/15/22/359551522.db2.gz HDESNAVZIHQBMH-IUCAKERBSA-N 2 0 216.329 0.150 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCCC[NH3+] ZINC000580442574 359551631 /nfs/dbraw/zinc/55/16/31/359551631.db2.gz HDESNAVZIHQBMH-BDAKNGLRSA-N 2 0 216.329 0.150 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC000580442495 359551722 /nfs/dbraw/zinc/55/17/22/359551722.db2.gz CVOTVTWXXWHEGZ-MNOVXSKESA-N 2 0 244.383 0.705 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423563241 192812680 /nfs/dbraw/zinc/81/26/80/192812680.db2.gz WZSXJZRNKWHEHF-ITGHMWBKSA-N 2 0 237.391 0.962 20 0 BCADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)[C@@H](C)[NH3+] ZINC000423604345 192816945 /nfs/dbraw/zinc/81/69/45/192816945.db2.gz FKGQCQKGRKDJAY-GMTAPVOTSA-N 2 0 227.352 0.556 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000423765975 192829124 /nfs/dbraw/zinc/82/91/24/192829124.db2.gz CCMJXMIASFSURC-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CC1(C(=O)NCCC[C@@H]2CCC[NH2+]2)C[NH2+]C1 ZINC000423703789 192823933 /nfs/dbraw/zinc/82/39/33/192823933.db2.gz KNJZDZCLPCCDJI-JTQLQIEISA-N 2 0 225.336 0.244 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)[C@H](C)[NH3+] ZINC000423976088 192851243 /nfs/dbraw/zinc/85/12/43/192851243.db2.gz FSMBXLJGOFGLAK-XWLWVQCSSA-N 2 0 227.352 0.554 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000423991801 192853012 /nfs/dbraw/zinc/85/30/12/192853012.db2.gz FKEWSDSBEPFHEM-NWDGAFQWSA-N 2 0 241.379 0.772 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000424016065 192853757 /nfs/dbraw/zinc/85/37/57/192853757.db2.gz BBPZCYHUJXKXER-DGCLKSJQSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430616223 192880983 /nfs/dbraw/zinc/88/09/83/192880983.db2.gz FRLWRSKANHYFLR-GARJFASQSA-N 2 0 241.379 0.864 20 0 BCADRP CS[C@@H](C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000122019178 359676005 /nfs/dbraw/zinc/67/60/05/359676005.db2.gz FDDUINQHYDCEPG-WDEREUQCSA-N 2 0 232.393 0.784 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000578356037 366537662 /nfs/dbraw/zinc/53/76/62/366537662.db2.gz REIYXMVCJDZYIS-DCAQKATOSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000515842918 259499114 /nfs/dbraw/zinc/49/91/14/259499114.db2.gz IBAAPGJZHZJQCC-PWSUYJOCSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000578426117 366564996 /nfs/dbraw/zinc/56/49/96/366564996.db2.gz PZIWTQXBBZWHRV-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000578444060 366569669 /nfs/dbraw/zinc/56/96/69/366569669.db2.gz KEBSYUXPBKEIFC-GMTAPVOTSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000578504866 366581543 /nfs/dbraw/zinc/58/15/43/366581543.db2.gz WMTDWAWVOGWJDC-DCAQKATOSA-N 2 0 227.352 0.380 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000578534954 366593357 /nfs/dbraw/zinc/59/33/57/366593357.db2.gz YGLIDZXBQLIJKX-HBNTYKKESA-N 2 0 225.336 0.385 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000578669033 366624854 /nfs/dbraw/zinc/62/48/54/366624854.db2.gz YMRVPPQQXDWITM-WOPDTQHZSA-N 2 0 227.352 0.224 20 0 BCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)CC[NH3+])CC[C@@H]21 ZINC000088091195 359937341 /nfs/dbraw/zinc/93/73/41/359937341.db2.gz GTZIJQLXKYWIIZ-QWRGUYRKSA-N 2 0 225.336 0.278 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1([NH3+])CC1 ZINC000088129661 359937405 /nfs/dbraw/zinc/93/74/05/359937405.db2.gz JDSBOQXMMBFZGB-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000578729957 366632160 /nfs/dbraw/zinc/63/21/60/366632160.db2.gz FEMHLKYWSZWLAJ-GUBZILKMSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000578729959 366632441 /nfs/dbraw/zinc/63/24/41/366632441.db2.gz FEMHLKYWSZWLAJ-LPEHRKFASA-N 2 0 213.325 0.371 20 0 BCADRP C[C@@H](CNC(=O)C1([NH3+])CC1)C[NH+]1CCCCC1 ZINC000088130646 359938580 /nfs/dbraw/zinc/93/85/80/359938580.db2.gz FNMYFQBKPHILGW-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000578786725 366649292 /nfs/dbraw/zinc/64/92/92/366649292.db2.gz SJIQVTLCNKDROY-IUCAKERBSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000578786723 366649328 /nfs/dbraw/zinc/64/93/28/366649328.db2.gz SJIQVTLCNKDROY-BDAKNGLRSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@](C[NH3+])(NC(=O)C1CC[NH2+]CC1)C1CC1 ZINC000578869553 366661728 /nfs/dbraw/zinc/66/17/28/366661728.db2.gz WCEVHJAULRTSLB-GFCCVEGCSA-N 2 0 225.336 0.230 20 0 BCADRP C[NH+]1CCC(NC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000612861990 360126978 /nfs/dbraw/zinc/12/69/78/360126978.db2.gz DRBRBKSPVNDUNU-LBPRGKRZSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612875441 360135176 /nfs/dbraw/zinc/13/51/76/360135176.db2.gz FPZKDUYYEGVRSJ-CMPLNLGQSA-N 2 0 242.367 0.378 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612875060 360135301 /nfs/dbraw/zinc/13/53/01/360135301.db2.gz BWHGQQDWAIHYRG-PWSUYJOCSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612929187 360197278 /nfs/dbraw/zinc/19/72/78/360197278.db2.gz IMXMIFXSSVSZLU-NGZCFLSTSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@@]1(NC(=O)NCC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000612912752 360174070 /nfs/dbraw/zinc/17/40/70/360174070.db2.gz ZUHQZTBSWLJJLR-GFCCVEGCSA-N 2 0 240.351 0.037 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612992292 360248178 /nfs/dbraw/zinc/24/81/78/360248178.db2.gz BZEAUKBTBBKERD-UWVGGRQHSA-N 2 0 240.351 0.023 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612995169 360249336 /nfs/dbraw/zinc/24/93/36/360249336.db2.gz WQRHFHKQINWZRI-VHSXEESVSA-N 2 0 240.351 0.165 20 0 BCADRP CCN(CC[NH3+])C(=O)NC1CC[NH+](CC)CC1 ZINC000626922979 360511568 /nfs/dbraw/zinc/51/15/68/360511568.db2.gz JPFVTAJIBQERFQ-UHFFFAOYSA-N 2 0 242.367 0.461 20 0 BCADRP OC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000631197071 360709984 /nfs/dbraw/zinc/70/99/84/360709984.db2.gz FDZIICJRLYUAJT-WUHRBBMRSA-N 2 0 224.348 0.974 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000449120367 200659080 /nfs/dbraw/zinc/65/90/80/200659080.db2.gz CPHZMETUCVYFLT-ZYHUDNBSSA-N 2 0 229.368 0.864 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H](C)C[NH3+] ZINC000449360920 200668097 /nfs/dbraw/zinc/66/80/97/200668097.db2.gz VXVNGSIOTWHBBP-IUCAKERBSA-N 2 0 201.314 0.086 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH2+]C ZINC000154731833 360848690 /nfs/dbraw/zinc/84/86/90/360848690.db2.gz KQJBUGZYMYKUAD-GUBZILKMSA-N 2 0 215.341 0.332 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)N(C)CC[NH3+] ZINC000417605134 200810515 /nfs/dbraw/zinc/81/05/15/200810515.db2.gz AMEAOHPTPZTIAW-UHFFFAOYSA-N 2 0 230.356 0.318 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418355906 200837936 /nfs/dbraw/zinc/83/79/36/200837936.db2.gz BSTZYHMRJMNNQU-GHMZBOCLSA-N 2 0 242.367 0.411 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000629400439 361051945 /nfs/dbraw/zinc/05/19/45/361051945.db2.gz XWUZGTXQESRURT-OLZOCXBDSA-N 3 0 241.379 0.568 20 0 BCADRP CC[NH+]1CCC(N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000629406634 361057242 /nfs/dbraw/zinc/05/72/42/361057242.db2.gz SOQOBFMPJFZAPH-CMPLNLGQSA-N 2 0 211.353 0.811 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000629405820 361053750 /nfs/dbraw/zinc/05/37/50/361053750.db2.gz UIIWRYRTNMEJFJ-WDEREUQCSA-N 2 0 216.325 0.380 20 0 BCADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H]2C)C[N@@H+]1C1CC1 ZINC000629408654 361059187 /nfs/dbraw/zinc/05/91/87/361059187.db2.gz YBUHJOWKOKIDAU-LSCVPOLPSA-N 2 0 223.364 0.952 20 0 BCADRP CC[C@@H](NCC1([NH3+])CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000629521433 361117927 /nfs/dbraw/zinc/11/79/27/361117927.db2.gz QCZYOQIZCFXWAJ-NEPJUHHUSA-N 2 0 241.379 0.615 20 0 BCADRP Cc1cc(C[NH3+])cc(NC(=O)CC[NH3+])c1 ZINC000424223639 200892050 /nfs/dbraw/zinc/89/20/50/200892050.db2.gz MEOPQWGMRKFYAW-UHFFFAOYSA-N 2 0 207.277 0.741 20 0 BCADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H]1CCC[N@@H+]1C ZINC000629519878 361120751 /nfs/dbraw/zinc/12/07/51/361120751.db2.gz RRVPKEYWBUVIMU-RNJOBUHISA-N 2 0 241.379 0.423 20 0 BCADRP COc1cncc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC000629509457 361103749 /nfs/dbraw/zinc/10/37/49/361103749.db2.gz MRUCPZVIHNQWIA-UHFFFAOYSA-N 2 0 236.319 0.656 20 0 BCADRP C[C@@H]1C[N@H+](CCOC2CCOCC2)CC[C@H]1[NH3+] ZINC000629510267 361107356 /nfs/dbraw/zinc/10/73/56/361107356.db2.gz PDHDLIHDOQNCTF-DGCLKSJQSA-N 2 0 242.363 0.851 20 0 BCADRP Cn1cncc1CN[C@@H](C[NH3+])C(C)(C)C ZINC000578991378 366688450 /nfs/dbraw/zinc/68/84/50/366688450.db2.gz APGBXTGRUPXSRG-JTQLQIEISA-N 2 0 210.325 0.883 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000629527601 361134277 /nfs/dbraw/zinc/13/42/77/361134277.db2.gz AAVWYDRVKKAFAY-NOOOWODRSA-N 2 0 211.353 0.986 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000629528308 361135414 /nfs/dbraw/zinc/13/54/14/361135414.db2.gz WBSDWJOJBXEXBT-NOOOWODRSA-N 2 0 211.353 0.844 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)[C@@H](C)OC ZINC000629528759 361138039 /nfs/dbraw/zinc/13/80/39/361138039.db2.gz IRTFONZLJJDPEC-NXEZZACHSA-N 2 0 204.314 0.235 20 0 BCADRP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1cnn(C)c1 ZINC000629529224 361138453 /nfs/dbraw/zinc/13/84/53/361138453.db2.gz VZZRWBYFNFQHON-GFCCVEGCSA-N 2 0 240.351 0.697 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000629530488 361144489 /nfs/dbraw/zinc/14/44/89/361144489.db2.gz IDFNSAPPJLSSQH-GARJFASQSA-N 2 0 216.325 0.378 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000629530767 361145742 /nfs/dbraw/zinc/14/57/42/361145742.db2.gz QMSYRTZZYDGUGB-GARJFASQSA-N 2 0 200.326 0.857 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000629530785 361145877 /nfs/dbraw/zinc/14/58/77/361145877.db2.gz REGLCAKIWIZEQM-NWDGAFQWSA-N 2 0 230.352 0.770 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000336634530 181324420 /nfs/dbraw/zinc/32/44/20/181324420.db2.gz ZUJVATBQIRAWTB-MNOVXSKESA-N 2 0 237.347 0.611 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000629531361 361148671 /nfs/dbraw/zinc/14/86/71/361148671.db2.gz IIZSIOVCFMAWIK-NEPJUHHUSA-N 3 0 229.368 0.472 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629531524 361149174 /nfs/dbraw/zinc/14/91/74/361149174.db2.gz NWZVCWXWLVDHES-YNEHKIRRSA-N 3 0 241.379 0.200 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000629531811 361150483 /nfs/dbraw/zinc/15/04/83/361150483.db2.gz YWRVLSHXLWZZML-NWDGAFQWSA-N 3 0 229.368 0.330 20 0 BCADRP [NH3+]C1(C(=O)N2CCC[NH2+]CC2)CCCC1 ZINC000037479498 181324865 /nfs/dbraw/zinc/32/48/65/181324865.db2.gz PNZMOMNUHDRKTP-UHFFFAOYSA-N 2 0 211.309 0.080 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1COCCN1C ZINC000629532658 361154557 /nfs/dbraw/zinc/15/45/57/361154557.db2.gz LFAFHZZEFINATA-JHJVBQTASA-N 2 0 241.379 0.295 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CCCC1 ZINC000375940832 181324610 /nfs/dbraw/zinc/32/46/10/181324610.db2.gz IGHIOLGIAYTSJV-QWRGUYRKSA-N 2 0 237.347 0.468 20 0 BCADRP CN1CCOC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629532805 361156372 /nfs/dbraw/zinc/15/63/72/361156372.db2.gz UEBOBSRSIUAWMF-HNGCFSAESA-N 2 0 239.363 0.190 20 0 BCADRP C[C@@H](NCC1([NH3+])CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000629521773 361121297 /nfs/dbraw/zinc/12/12/97/361121297.db2.gz UFNIGUUBPMTMSN-MNOVXSKESA-N 2 0 227.352 0.224 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000629523888 361121320 /nfs/dbraw/zinc/12/13/20/361121320.db2.gz KZZUPXOPTCLTBO-GWOFURMSSA-N 2 0 225.336 0.500 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000629523394 361124423 /nfs/dbraw/zinc/12/44/23/361124423.db2.gz DUEFXVLWASTMMU-XKNYDFJKSA-N 2 0 211.309 0.110 20 0 BCADRP CCC(CC)[C@H](CNC(N)=[NH2+])[NH+](C)C ZINC000066245154 361170621 /nfs/dbraw/zinc/17/06/21/361170621.db2.gz GDVNXEAFQJGLDX-VIFPVBQESA-N 2 0 200.330 0.836 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000640383095 361192057 /nfs/dbraw/zinc/19/20/57/361192057.db2.gz NZRWJUOYXRVSAN-GARJFASQSA-N 2 0 240.351 0.260 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2C[C@]2(O)C1 ZINC000640474900 361245933 /nfs/dbraw/zinc/24/59/33/361245933.db2.gz CUSLSVRMIZENQS-XQQFMLRXSA-N 2 0 224.348 0.927 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C[NH2+]C1CC1 ZINC000579107042 366712328 /nfs/dbraw/zinc/71/23/28/366712328.db2.gz AQHIGPCPSQPERB-SKDRFNHKSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CCCCC[NH2+]1 ZINC000579111409 366713026 /nfs/dbraw/zinc/71/30/26/366713026.db2.gz GJEBLZLFZXNRDB-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)OC1CC[NH+](CCOCC[NH3+])CC1 ZINC000579110335 366713759 /nfs/dbraw/zinc/71/37/59/366713759.db2.gz HGDQJWUJMLWFOG-UHFFFAOYSA-N 2 0 230.352 0.851 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC000428419825 201015267 /nfs/dbraw/zinc/01/52/67/201015267.db2.gz GEJXBEXOVDJVRG-JTQLQIEISA-N 2 0 213.325 0.147 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCCC[NH3+] ZINC000579227117 366737938 /nfs/dbraw/zinc/73/79/38/366737938.db2.gz MTZCMGMUJCVCRZ-NWDGAFQWSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]([NH2+]CC1(CO)CCCC1)C1C[NH2+]C1 ZINC000622044083 370675547 /nfs/dbraw/zinc/67/55/47/370675547.db2.gz UKPURZISGKZGSG-SNVBAGLBSA-N 2 0 212.337 0.737 20 0 BCADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)Cc1cnccn1 ZINC000622044493 370676971 /nfs/dbraw/zinc/67/69/71/370676971.db2.gz IANBVASTGHWFPG-UWVGGRQHSA-N 2 0 208.309 0.735 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000622044958 370678071 /nfs/dbraw/zinc/67/80/71/370678071.db2.gz YRXGSOKUPQFCPQ-AGIUHOORSA-N 2 0 239.363 0.857 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000622044960 370678578 /nfs/dbraw/zinc/67/85/78/370678578.db2.gz YRXGSOKUPQFCPQ-JHJVBQTASA-N 2 0 239.363 0.857 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000428518749 201026226 /nfs/dbraw/zinc/02/62/26/201026226.db2.gz SINLHUBJVCZDLZ-LLVKDONJSA-N 2 0 227.352 0.526 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCC1 ZINC000250940023 181328729 /nfs/dbraw/zinc/32/87/29/181328729.db2.gz ZECYPNUATXVLCZ-WDEREUQCSA-N 2 0 237.347 0.611 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428954365 201051422 /nfs/dbraw/zinc/05/14/22/201051422.db2.gz IIEKNKOSGXTBCU-VXGBXAGGSA-N 2 0 241.379 0.831 20 0 BCADRP CCCN(CC[C@@H]1CCC[N@@H+]1C)CC(N)=O ZINC000429120030 201068639 /nfs/dbraw/zinc/06/86/39/201068639.db2.gz BRQMJGCSLCDLCX-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP [NH3+]C1(CNC(=O)C2C[NH2+]C2)CCCCCC1 ZINC000336534218 181330819 /nfs/dbraw/zinc/33/08/19/181330819.db2.gz JMQSXYGJWZQTPB-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000429141562 201072371 /nfs/dbraw/zinc/07/23/71/201072371.db2.gz KOILLEFETFHLCS-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)C[NH3+])C1 ZINC000640662975 361354689 /nfs/dbraw/zinc/35/46/89/361354689.db2.gz OARAQQSEQSAXSR-GHMZBOCLSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000428969089 201055689 /nfs/dbraw/zinc/05/56/89/201055689.db2.gz QQONYHHDGJDOCX-IJLUTSLNSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H](C(=O)NCC[NH2+]C)[NH+](CC)CC ZINC000429086675 201066092 /nfs/dbraw/zinc/06/60/92/201066092.db2.gz HODFHCWIDNKMGE-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000429101019 201066898 /nfs/dbraw/zinc/06/68/98/201066898.db2.gz VWPIFNYVKCPJIQ-UTUOFQBUSA-N 2 0 239.363 0.727 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000429189010 201078993 /nfs/dbraw/zinc/07/89/93/201078993.db2.gz ATRJMORIIAZFKA-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000429195678 201079093 /nfs/dbraw/zinc/07/90/93/201079093.db2.gz XIYHKZAJXKWABN-OUAUKWLOSA-N 2 0 227.352 0.603 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]C ZINC000429233204 201080231 /nfs/dbraw/zinc/08/02/31/201080231.db2.gz CUBIDZXGXQSUNR-JTQLQIEISA-N 2 0 215.341 0.300 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000429241273 201083428 /nfs/dbraw/zinc/08/34/28/201083428.db2.gz LDIDKLGJASPCAA-AXFHLTTASA-N 2 0 227.352 0.476 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]C)CC1 ZINC000429400925 201105560 /nfs/dbraw/zinc/10/55/60/201105560.db2.gz ASCNDXCVJTZPLD-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000429393398 201106229 /nfs/dbraw/zinc/10/62/29/201106229.db2.gz KFESKPJJYQUWNH-JFGNBEQYSA-N 2 0 227.352 0.713 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000579332965 366760883 /nfs/dbraw/zinc/76/08/83/366760883.db2.gz IQYNLMYBZORWMS-GHMZBOCLSA-N 2 0 227.352 0.583 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000579332664 366761225 /nfs/dbraw/zinc/76/12/25/366761225.db2.gz VTPYVUBVGADJIQ-BJDJZHNGSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629540257 361398497 /nfs/dbraw/zinc/39/84/97/361398497.db2.gz OGMGCGJSBFGVKY-KSSYENDESA-N 2 0 241.379 0.469 20 0 BCADRP C[C@@H](NCCOCCC[NH3+])[C@H]1CCCC[NH2+]1 ZINC000629536270 361398626 /nfs/dbraw/zinc/39/86/26/361398626.db2.gz FTYLBYBJFSKZPF-VXGBXAGGSA-N 2 0 229.368 0.472 20 0 BCADRP C[C@H]([NH2+]CCOCCC[NH3+])c1cnccn1 ZINC000629536595 361400153 /nfs/dbraw/zinc/40/01/53/361400153.db2.gz HAVAKSLYCILEDW-JTQLQIEISA-N 2 0 224.308 0.493 20 0 BCADRP CC[C@@H](C(=O)N1CC[NH2+][C@@H](C)C1)[NH+](CC)CC ZINC000429344196 201101203 /nfs/dbraw/zinc/10/12/03/201101203.db2.gz IAKKEQVZPUNNIZ-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@@H](C(=O)N1CC[NH2+][C@H](C)C1)[NH+](CC)CC ZINC000429344193 201102522 /nfs/dbraw/zinc/10/25/22/201102522.db2.gz IAKKEQVZPUNNIZ-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccnn1C ZINC000629538404 361403497 /nfs/dbraw/zinc/40/34/97/361403497.db2.gz MPPCPECUBZLXLI-JTQLQIEISA-N 2 0 226.324 0.436 20 0 BCADRP COC[C@H](CCC[NH3+])N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629538829 361403509 /nfs/dbraw/zinc/40/35/09/361403509.db2.gz LHRASNYROWZWAK-WOPDTQHZSA-N 2 0 229.368 0.470 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000429554772 201114963 /nfs/dbraw/zinc/11/49/63/201114963.db2.gz CGMVEMKBCXYAJZ-JFGNBEQYSA-N 2 0 239.363 0.713 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)NC)[C@H](C)C1 ZINC000429808871 201132747 /nfs/dbraw/zinc/13/27/47/201132747.db2.gz NHHTVXKWICQNAL-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)NC)[C@H](C)C1 ZINC000429808868 201132800 /nfs/dbraw/zinc/13/28/00/201132800.db2.gz NHHTVXKWICQNAL-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429556878 201113716 /nfs/dbraw/zinc/11/37/16/201113716.db2.gz ZEWMPQSUWCNWRK-STQMWFEESA-N 2 0 244.379 0.800 20 0 BCADRP C[C@H](C[C@H]1COCC[NH2+]1)N[C@@H]1CC[NH2+][C@H]1C ZINC000629544306 361423671 /nfs/dbraw/zinc/42/36/71/361423671.db2.gz HNRDWOKEFXZMLG-NOOOWODRSA-N 2 0 227.352 0.093 20 0 BCADRP [NH3+]CC1CCC([NH2+]CCN2CC[C@@H](O)C2)CC1 ZINC000629545210 361425575 /nfs/dbraw/zinc/42/55/75/361425575.db2.gz KSCQLGYZKVSXEJ-WXRRBKDZSA-N 2 0 241.379 0.160 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000579475458 366824330 /nfs/dbraw/zinc/82/43/30/366824330.db2.gz VTYPWSVMABGRHO-MXWKQRLJSA-N 2 0 227.352 0.522 20 0 BCADRP CCO[C@@H](C[NH2+]C1(CO)CC[NH2+]CC1)C1CC1 ZINC000629546759 361429484 /nfs/dbraw/zinc/42/94/84/361429484.db2.gz PMDPUHIEEZETLG-LBPRGKRZSA-N 2 0 242.363 0.506 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000629547226 361430370 /nfs/dbraw/zinc/43/03/70/361430370.db2.gz SCQVPUZYWFISCC-NNYUYHANSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]CC[C@H]1C ZINC000629547230 361430412 /nfs/dbraw/zinc/43/04/12/361430412.db2.gz SCQVPUZYWFISCC-WRWGMCAJSA-N 2 0 211.353 0.715 20 0 BCADRP CN1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000629548258 361433123 /nfs/dbraw/zinc/43/31/23/361433123.db2.gz DQVCAQJQDKLCRB-WOPDTQHZSA-N 2 0 211.353 0.798 20 0 BCADRP C[N@@H+]1CCC[C@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000629549280 361434550 /nfs/dbraw/zinc/43/45/50/361434550.db2.gz GVSGZDGDCZISDY-WOPDTQHZSA-N 2 0 211.353 0.940 20 0 BCADRP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CC[NH2+]C1 ZINC000629554682 361435900 /nfs/dbraw/zinc/43/59/00/361435900.db2.gz NDLIVJIMNJPYGU-ZYHUDNBSSA-N 2 0 234.347 0.861 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOC1CCOCC1 ZINC000629549995 361442414 /nfs/dbraw/zinc/44/24/14/361442414.db2.gz UYKASSIZICPIDO-VXGBXAGGSA-N 2 0 242.363 0.994 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542117 361418180 /nfs/dbraw/zinc/41/81/80/361418180.db2.gz YPCNFOHLKGZUPQ-USZNOCQGSA-N 2 0 211.353 0.667 20 0 BCADRP C[C@H]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC000629542055 361418472 /nfs/dbraw/zinc/41/84/72/361418472.db2.gz XSKTUJFPXDRWFK-DMRUHBNHSA-N 2 0 223.364 1.000 20 0 BCADRP CC[C@@H](COC)[NH2+]CCOCCC[NH3+] ZINC000629542288 361418929 /nfs/dbraw/zinc/41/89/29/361418929.db2.gz XSZKQCGGROAEHC-JTQLQIEISA-N 2 0 204.314 0.366 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCOCCC[NH3+])CC[N@@H+]1C ZINC000629542478 361419774 /nfs/dbraw/zinc/41/97/74/361419774.db2.gz YVXWCXNAJSNMAT-VXGBXAGGSA-N 3 0 229.368 0.424 20 0 BCADRP COC[C@@H]([NH2+]CCOCCC[NH3+])C1CC1 ZINC000629542473 361419803 /nfs/dbraw/zinc/41/98/03/361419803.db2.gz YVNHDWXAGSJXIM-LLVKDONJSA-N 2 0 216.325 0.366 20 0 BCADRP CCCNC(=O)[C@H](C)[N@H+](C)CCOCC[NH2+]C ZINC000629568078 361460347 /nfs/dbraw/zinc/46/03/47/361460347.db2.gz IODMMFGTDZUXNK-NSHDSACASA-N 2 0 245.367 0.069 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CCC1CC[NH2+]CC1 ZINC000629570812 361460469 /nfs/dbraw/zinc/46/04/69/361460469.db2.gz MUZOCULVQHTISZ-UHFFFAOYSA-N 3 0 243.395 0.544 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)COC ZINC000629571943 361463828 /nfs/dbraw/zinc/46/38/28/361463828.db2.gz UOANQBZNSWVNEX-JTQLQIEISA-N 2 0 204.314 0.189 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)CCOC ZINC000629572141 361463971 /nfs/dbraw/zinc/46/39/71/361463971.db2.gz WXVPATDHXPNLSA-NSHDSACASA-N 2 0 218.341 0.579 20 0 BCADRP CC[C@H](C)[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629583467 361467503 /nfs/dbraw/zinc/46/75/03/361467503.db2.gz FRZWTUPZCAOKAH-YNEHKIRRSA-N 2 0 244.379 0.440 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@@H]1CCC[NH2+]C1)C2 ZINC000629584209 361468876 /nfs/dbraw/zinc/46/88/76/361468876.db2.gz RKMVFRPBCZBNCV-MCIONIFRSA-N 3 0 237.391 0.917 20 0 BCADRP C/C=C\C[C@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629583910 361469659 /nfs/dbraw/zinc/46/96/59/361469659.db2.gz LCXMOOXEXVGQGT-LLGAQUFESA-N 2 0 242.363 0.360 20 0 BCADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629581634 361473048 /nfs/dbraw/zinc/47/30/48/361473048.db2.gz FCZMPKDCYZNVPR-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP CCCN(C(=O)[C@@H](C[NH3+])C(C)C)[C@@H]1CC[NH2+]C1 ZINC000433173075 201162580 /nfs/dbraw/zinc/16/25/80/201162580.db2.gz IYLQQRGDLIHINV-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000433172918 201164252 /nfs/dbraw/zinc/16/42/52/201164252.db2.gz DTCHHFAMMSEIJK-DCAQKATOSA-N 2 0 227.352 0.426 20 0 BCADRP CC(C)(O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592393 361485537 /nfs/dbraw/zinc/48/55/37/361485537.db2.gz BPGMMRQRQDPYKX-TXEJJXNPSA-N 2 0 212.337 0.689 20 0 BCADRP [NH3+]CCN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563443 361454553 /nfs/dbraw/zinc/45/45/53/361454553.db2.gz PVMDPVRZAPPUOS-JGVFFNPUSA-N 2 0 225.258 0.404 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)[NH+](C)C ZINC000629612449 361498895 /nfs/dbraw/zinc/49/88/95/361498895.db2.gz CUTIGWUFOQZFSJ-HBNTYKKESA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000629612463 361498960 /nfs/dbraw/zinc/49/89/60/361498960.db2.gz DCIKYSOAYMFIJY-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH3+])[NH+](C)C ZINC000629612716 361499438 /nfs/dbraw/zinc/49/94/38/361499438.db2.gz GRZKPYDEDSMYBG-QWRGUYRKSA-N 2 0 229.368 0.960 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](CC)[NH+](C)C ZINC000629611721 361501577 /nfs/dbraw/zinc/50/15/77/361501577.db2.gz BZDBHOOKCYHYNU-WDEREUQCSA-N 2 0 229.368 0.960 20 0 BCADRP CC[C@H](C(=O)N1CCC([NH2+]C)CC1)[NH+](C)C ZINC000629612998 361501707 /nfs/dbraw/zinc/50/17/07/361501707.db2.gz GPVXPMYSTIYZRM-LLVKDONJSA-N 2 0 227.352 0.537 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC000629612257 361502765 /nfs/dbraw/zinc/50/27/65/361502765.db2.gz ZQHLAJNICBPVLU-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)[NH+](C)C ZINC000629614678 361503646 /nfs/dbraw/zinc/50/36/46/361503646.db2.gz MGLCJMQTEWBFTO-IJLUTSLNSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H]([NH3+])C(C)C)[NH+](C)C ZINC000629615622 361504881 /nfs/dbraw/zinc/50/48/81/361504881.db2.gz WODQBZVDCTZIOZ-ZJUUUORDSA-N 2 0 215.341 0.426 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)[NH+](C)C ZINC000629616167 361506619 /nfs/dbraw/zinc/50/66/19/361506619.db2.gz YIQNHJXKRANROW-GUBZILKMSA-N 2 0 213.325 0.275 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[NH+](C)C ZINC000629613546 361507879 /nfs/dbraw/zinc/50/78/79/361507879.db2.gz CEEYAJIODVCRGV-HBNTYKKESA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH3+])C1)[NH+](C)C ZINC000629613544 361507951 /nfs/dbraw/zinc/50/79/51/361507951.db2.gz CEEYAJIODVCRGV-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000629614419 361509395 /nfs/dbraw/zinc/50/93/95/361509395.db2.gz JJRKGZHMQZBJDG-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000629614418 361509456 /nfs/dbraw/zinc/50/94/56/361509456.db2.gz JJRKGZHMQZBJDG-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP CO[C@H]1C[C@@H](C[NH2+]C[C@H](O)CN(C)C2CC2)C1 ZINC000629617345 361511732 /nfs/dbraw/zinc/51/17/32/361511732.db2.gz VSZRCRZNBWJPPP-WCFLWFBJSA-N 2 0 242.363 0.456 20 0 BCADRP CO[C@H]1C[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629616939 361511969 /nfs/dbraw/zinc/51/19/69/361511969.db2.gz NLPXQVZOOAIRPN-RWMBFGLXSA-N 2 0 242.363 0.458 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCSC1 ZINC000629654973 361558762 /nfs/dbraw/zinc/55/87/62/361558762.db2.gz VAJOOIQWPSUZRE-NSHDSACASA-N 2 0 232.393 0.907 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000629660156 361564138 /nfs/dbraw/zinc/56/41/38/361564138.db2.gz OVTLBBVWOMUGEI-FIQHERPVSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)C1CCC1 ZINC000629652594 361551498 /nfs/dbraw/zinc/55/14/98/361551498.db2.gz IXZLXUPHKBQOBB-QMMMGPOBSA-N 2 0 236.319 0.919 20 0 BCADRP C[C@H]1C[C@H]1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629653490 361552646 /nfs/dbraw/zinc/55/26/46/361552646.db2.gz OQCHBYVYXQGLPW-YUMQZZPRSA-N 2 0 222.292 0.387 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000629651380 361555601 /nfs/dbraw/zinc/55/56/01/361555601.db2.gz VIQZPXBIUJZKSN-SRVKXCTJSA-N 2 0 223.364 0.859 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000629651381 361555819 /nfs/dbraw/zinc/55/58/19/361555819.db2.gz VIQZPXBIUJZKSN-TUAOUCFPSA-N 2 0 223.364 0.859 20 0 BCADRP CCCn1cc(C[N@H+](C)CCOCC[NH3+])cn1 ZINC000629661589 361594839 /nfs/dbraw/zinc/59/48/39/361594839.db2.gz CZAHAYQGMJEOPW-UHFFFAOYSA-N 2 0 240.351 0.700 20 0 BCADRP [NH3+]CCC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000629673746 361596626 /nfs/dbraw/zinc/59/66/26/361596626.db2.gz GWBMBIWNYSWFER-JTQLQIEISA-N 2 0 211.309 0.078 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CCC[NH2+]C1 ZINC000435090990 201250529 /nfs/dbraw/zinc/25/05/29/201250529.db2.gz FTXJWSUEZYLWCD-LOWVWBTDSA-N 2 0 239.363 0.620 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000434703784 201236663 /nfs/dbraw/zinc/23/66/63/201236663.db2.gz BENJZGIBOCBDJY-DCAQKATOSA-N 2 0 227.352 0.761 20 0 BCADRP O=C(C[NH2+]CC1CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435235692 201257251 /nfs/dbraw/zinc/25/72/51/201257251.db2.gz FRAFUWCBUVWXRD-LBPRGKRZSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH2+]CCC[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000435878743 201292042 /nfs/dbraw/zinc/29/20/42/201292042.db2.gz FROFKINDPQJYTN-ZDUSSCGKSA-N 2 0 241.379 0.250 20 0 BCADRP CC[C@@H]1CN(CCC[NH2+]C)CC[N@@H+]1C[C@@H](C)O ZINC000435872905 201292635 /nfs/dbraw/zinc/29/26/35/201292635.db2.gz SIWSFGHGPQPUMQ-CHWSQXEVSA-N 2 0 243.395 0.373 20 0 BCADRP [NH3+]C1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000373527136 181343992 /nfs/dbraw/zinc/34/39/92/181343992.db2.gz BKQVYTSNRZSAIV-NSHDSACASA-N 2 0 225.336 0.468 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000627244724 363848446 /nfs/dbraw/zinc/84/84/46/363848446.db2.gz GTNOZCAPTZJRTJ-CHWFTXMASA-N 2 0 240.351 0.129 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000627245690 363849288 /nfs/dbraw/zinc/84/92/88/363849288.db2.gz ROESUZVDHSFQMA-VHSXEESVSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC(C)(C)CC[NH3+] ZINC000627244912 363849381 /nfs/dbraw/zinc/84/93/81/363849381.db2.gz KMADEBJUEYVYBE-DTWKUNHWSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000627245143 363850844 /nfs/dbraw/zinc/85/08/44/363850844.db2.gz LMQHURSMAOAXOM-GARJFASQSA-N 2 0 240.351 0.260 20 0 BCADRP [NH3+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000262623482 181353674 /nfs/dbraw/zinc/35/36/74/181353674.db2.gz AHBHHGQPTAMNKK-UHFFFAOYSA-N 2 0 247.342 0.857 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000068195875 370753181 /nfs/dbraw/zinc/75/31/81/370753181.db2.gz FTQBUJUZZFTTIO-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP CC[NH2+]Cc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630604241 364328709 /nfs/dbraw/zinc/32/87/09/364328709.db2.gz PRJSVXJBTTYBIG-SECBINFHSA-N 2 0 209.297 0.140 20 0 BCADRP c1c([C@@H]2CCC[NH2+]C2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000630606316 364328723 /nfs/dbraw/zinc/32/87/23/364328723.db2.gz WZFGPIIVZBXBFJ-MNOVXSKESA-N 2 0 235.335 0.497 20 0 BCADRP c1c(C[C@H]2CC[NH2+]C2)nnn1[C@H]1CCC[NH2+]C1 ZINC000630595919 364310608 /nfs/dbraw/zinc/31/06/08/364310608.db2.gz KUEWLDMPYRTLAJ-PWSUYJOCSA-N 2 0 235.335 0.355 20 0 BCADRP CCC[C@H]([NH3+])c1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC000630616981 364354372 /nfs/dbraw/zinc/35/43/72/364354372.db2.gz PCNDACOSXPKWEL-ZJUUUORDSA-N 2 0 239.323 0.066 20 0 BCADRP C[C@@H]1CC[C@H](NC2CC[NH+](C)CC2)C[NH2+]1 ZINC000398975523 364401494 /nfs/dbraw/zinc/40/14/94/364401494.db2.gz YRAYLTOECQEJFM-PWSUYJOCSA-N 2 0 211.353 0.811 20 0 BCADRP [NH3+]CC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000019843236 181365740 /nfs/dbraw/zinc/36/57/40/181365740.db2.gz LWNNIYWIPGRKSV-UHFFFAOYSA-N 2 0 225.336 0.280 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000037824237 181366472 /nfs/dbraw/zinc/36/64/72/181366472.db2.gz LFTPHHBXQAPYLZ-NSHDSACASA-N 2 0 225.336 0.422 20 0 BCADRP [NH3+]CCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370773969 181366996 /nfs/dbraw/zinc/36/69/96/181366996.db2.gz QBSVPYRWUXJCSE-SDDRHHMPSA-N 2 0 237.347 0.278 20 0 BCADRP COC[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)OC ZINC000227711418 541371856 /nfs/dbraw/zinc/37/18/56/541371856.db2.gz RKOQRQBSHZXVGW-YPMHNXCESA-N 2 0 244.379 0.968 20 0 BCADRP COC[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)OC ZINC000227711407 541371946 /nfs/dbraw/zinc/37/19/46/541371946.db2.gz RKOQRQBSHZXVGW-WCQYABFASA-N 2 0 244.379 0.968 20 0 BCADRP [NH3+]CCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000250844497 181369314 /nfs/dbraw/zinc/36/93/14/181369314.db2.gz MUROODXZZZXBHU-NXEZZACHSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000615303202 364681024 /nfs/dbraw/zinc/68/10/24/364681024.db2.gz QVURRSMFHFYMSP-GRYCIOLGSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000615303209 364681136 /nfs/dbraw/zinc/68/11/36/364681136.db2.gz QVURRSMFHFYMSP-UTUOFQBUSA-N 2 0 239.363 0.489 20 0 BCADRP [NH3+]CCC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375940390 181369435 /nfs/dbraw/zinc/36/94/35/181369435.db2.gz HZDTYXCEXRDZOX-UHFFFAOYSA-N 2 0 219.288 0.620 20 0 BCADRP O=C(C1C[NH2+]C1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000573323509 364799343 /nfs/dbraw/zinc/79/93/43/364799343.db2.gz LMDIDQKPVRPNLU-NEPJUHHUSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000567980580 364757732 /nfs/dbraw/zinc/75/77/32/364757732.db2.gz FJGRWLQRULBKIT-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP [NH3+]CCCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000374624421 181371191 /nfs/dbraw/zinc/37/11/91/181371191.db2.gz QCAPYURFQMUIJH-GARJFASQSA-N 2 0 225.336 0.311 20 0 BCADRP [NH3+]CCCC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000368703538 181371195 /nfs/dbraw/zinc/37/11/95/181371195.db2.gz IDLLUUDDHQPRKB-UHFFFAOYSA-N 2 0 239.363 0.718 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418321022 219954193 /nfs/dbraw/zinc/95/41/93/219954193.db2.gz XMHKCRMHKJHNMR-MNOVXSKESA-N 2 0 242.367 0.413 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000573379508 364816617 /nfs/dbraw/zinc/81/66/17/364816617.db2.gz KGSIPURPXXJCDZ-ZYHUDNBSSA-N 3 0 229.368 0.016 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C[NH+](C)C)C1 ZINC000167899380 364820143 /nfs/dbraw/zinc/82/01/43/364820143.db2.gz LPHFHAQJBDHRIS-JTQLQIEISA-N 2 0 213.325 0.006 20 0 BCADRP CN(C[C@@H](O)C[NH2+]C1CC(C)(F)C1)C1CC1 ZINC000573439468 364826678 /nfs/dbraw/zinc/82/66/78/364826678.db2.gz SMOPVBPZPNMCFN-ZYXZCXLHSA-N 2 0 230.327 0.922 20 0 BCADRP Cc1ncc(C[NH2+][C@H](C)CC[S@](C)=O)n1C ZINC000573459920 364840184 /nfs/dbraw/zinc/84/01/84/364840184.db2.gz QWVVPWDICGVCPD-ABKXIKBNSA-N 2 0 243.376 0.975 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000573487999 364845766 /nfs/dbraw/zinc/84/57/66/364845766.db2.gz MCPMLMIFBOKFJX-MRTMQBJTSA-N 2 0 201.314 0.356 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000573494502 364846847 /nfs/dbraw/zinc/84/68/47/364846847.db2.gz ONHCINOXUSGXGS-UTUOFQBUSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC000573584111 364869159 /nfs/dbraw/zinc/86/91/59/364869159.db2.gz VPEXGZUWAGNDDU-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000573605483 364872153 /nfs/dbraw/zinc/87/21/53/364872153.db2.gz BPWQYSFDSHFMPR-GHMZBOCLSA-N 2 0 229.368 0.722 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000573605484 364872465 /nfs/dbraw/zinc/87/24/65/364872465.db2.gz BPWQYSFDSHFMPR-MNOVXSKESA-N 2 0 229.368 0.722 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000418391412 219959122 /nfs/dbraw/zinc/95/91/22/219959122.db2.gz VLOIEXYOGSXWFT-NXEZZACHSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@H]1CC1(C)C ZINC000573675002 364889937 /nfs/dbraw/zinc/88/99/37/364889937.db2.gz ZEPGJEVVUWYDAC-GHMZBOCLSA-N 2 0 239.363 0.442 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418391727 219959461 /nfs/dbraw/zinc/95/94/61/219959461.db2.gz YSXOTVXGQQEVJV-SNVBAGLBSA-N 2 0 228.340 0.037 20 0 BCADRP [NH3+]CCCC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371243894 181371439 /nfs/dbraw/zinc/37/14/39/181371439.db2.gz LSYZUPBPXMEGHI-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000573741758 364908124 /nfs/dbraw/zinc/90/81/24/364908124.db2.gz QPOPGYFGURDIKD-GXSJLCMTSA-N 2 0 233.315 0.511 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCC[NH3+] ZINC000573682122 364891270 /nfs/dbraw/zinc/89/12/70/364891270.db2.gz PMEVAPPGYJINQG-SNVBAGLBSA-N 2 0 215.341 0.570 20 0 BCADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H](C[NH3+])C1CC1 ZINC000573682794 364892772 /nfs/dbraw/zinc/89/27/72/364892772.db2.gz ZDTIMLNPHMYSHC-GFCCVEGCSA-N 2 0 239.363 0.524 20 0 BCADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334201867 541412607 /nfs/dbraw/zinc/41/26/07/541412607.db2.gz OMSAVVDFFRUSHK-AAEUAGOBSA-N 2 0 237.347 0.341 20 0 BCADRP [NH3+]CCCCNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061612676 181376124 /nfs/dbraw/zinc/37/61/24/181376124.db2.gz AZRVXRUJTXJJBL-LBPRGKRZSA-N 2 0 235.331 0.584 20 0 BCADRP [NH3+]CCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000367966055 181376276 /nfs/dbraw/zinc/37/62/76/181376276.db2.gz XDZHFOMYGNAERF-NEPJUHHUSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]CCCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250813008 181377666 /nfs/dbraw/zinc/37/76/66/181377666.db2.gz DROPERGIBNIZCW-UTUOFQBUSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CC2(C[NH3+])CC2)CC[N@@H+]1C ZINC000573962616 364954647 /nfs/dbraw/zinc/95/46/47/364954647.db2.gz LYHRFDBTUFYFGP-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CC2(C[NH3+])CC2)CC[N@@H+]1C ZINC000573962614 364954895 /nfs/dbraw/zinc/95/48/95/364954895.db2.gz LYHRFDBTUFYFGP-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH2+]CC1CC[NH+](C[C@@](C)(O)C[NH2+]C)CC1 ZINC000574091458 364981372 /nfs/dbraw/zinc/98/13/72/364981372.db2.gz GKHMUXIKKXXGFD-ZDUSSCGKSA-N 2 0 243.395 0.278 20 0 BCADRP CC[C@H](O)C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000574083381 364983905 /nfs/dbraw/zinc/98/39/05/364983905.db2.gz AZZRAUHBBUDMAO-RYUDHWBXSA-N 2 0 230.352 0.194 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000574159883 364999818 /nfs/dbraw/zinc/99/98/18/364999818.db2.gz MDPLEBYPWYJUGV-WOPDTQHZSA-N 2 0 239.363 0.572 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000574210702 365001287 /nfs/dbraw/zinc/00/12/87/365001287.db2.gz XCFMMINSNNVBNR-VHSXEESVSA-N 2 0 215.341 0.570 20 0 BCADRP [NH3+]CCCN(Cc1ccccc1)C(=O)CC[NH3+] ZINC000262467612 181380174 /nfs/dbraw/zinc/38/01/74/181380174.db2.gz OAYLAKPBQLLZQP-UHFFFAOYSA-N 2 0 235.331 0.713 20 0 BCADRP [NH3+]CCCN1CC[NH+](C2CCCC2)CC1 ZINC000019688178 181381201 /nfs/dbraw/zinc/38/12/01/181381201.db2.gz SDPOYNIKKBMRTE-UHFFFAOYSA-N 2 0 211.353 0.895 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)CC1(C[NH3+])CC1 ZINC000574398210 365053024 /nfs/dbraw/zinc/05/30/24/365053024.db2.gz USKBZQXQEROBSZ-VIFPVBQESA-N 2 0 213.325 0.087 20 0 BCADRP Cn1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)n1 ZINC000574400165 365053518 /nfs/dbraw/zinc/05/35/18/365053518.db2.gz LPWCGKGNQCJATB-UHFFFAOYSA-N 2 0 234.347 0.996 20 0 BCADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000574401410 365053672 /nfs/dbraw/zinc/05/36/72/365053672.db2.gz KUQAPNCPYHIIJI-FRRDWIJNSA-N 2 0 245.326 0.418 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000574451435 365060392 /nfs/dbraw/zinc/06/03/92/365060392.db2.gz QBHUUMUJIWWPAD-CMPLNLGQSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000574262216 365021457 /nfs/dbraw/zinc/02/14/57/365021457.db2.gz NVUMCJJYGDDQMN-SNVBAGLBSA-N 2 0 227.352 0.631 20 0 BCADRP CC[N@H+](CCNC(=O)N(C)CCC[NH3+])C1CC1 ZINC000574261967 365021756 /nfs/dbraw/zinc/02/17/56/365021756.db2.gz QXNZZPREMABASD-UHFFFAOYSA-N 2 0 242.367 0.461 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC(F)F)C[C@H](C)[NH2+]1 ZINC000574319236 365035926 /nfs/dbraw/zinc/03/59/26/365035926.db2.gz PWDVMNDEUGLTJW-GJMOJQLCSA-N 2 0 235.278 0.178 20 0 BCADRP [NH3+]CCCC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000574322661 365036948 /nfs/dbraw/zinc/03/69/48/365036948.db2.gz XWEUHSDEJFQSSA-ZCFIWIBFSA-N 2 0 227.230 0.121 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000574573364 365087793 /nfs/dbraw/zinc/08/77/93/365087793.db2.gz KGXSSKVVWLCBJY-RKDXNWHRSA-N 2 0 247.289 0.322 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000574569734 365091672 /nfs/dbraw/zinc/09/16/72/365091672.db2.gz ZGBXXBVUPLRRFE-GFCCVEGCSA-N 2 0 241.379 0.880 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000574568753 365092007 /nfs/dbraw/zinc/09/20/07/365092007.db2.gz ALVZCEAWSKUWJK-CKYFFXLPSA-N 2 0 225.336 0.086 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000574568754 365092302 /nfs/dbraw/zinc/09/23/02/365092302.db2.gz ALVZCEAWSKUWJK-FOGDFJRCSA-N 2 0 225.336 0.086 20 0 BCADRP [NH3+]CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000237982034 181395533 /nfs/dbraw/zinc/39/55/33/181395533.db2.gz IJEYCLPQVVHEKS-UHFFFAOYSA-N 2 0 247.342 0.971 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000433121223 192984838 /nfs/dbraw/zinc/98/48/38/192984838.db2.gz QZERIGATVDWXOJ-SRVKXCTJSA-N 2 0 241.379 0.803 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000433116694 192985078 /nfs/dbraw/zinc/98/50/78/192985078.db2.gz LOIXQYHDHKRMQW-VWYCJHECSA-N 2 0 227.352 0.461 20 0 BCADRP CC[C@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000574878676 365167209 /nfs/dbraw/zinc/16/72/09/365167209.db2.gz WDEKUURULKCRIE-STQMWFEESA-N 2 0 244.379 0.584 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000575044955 365175665 /nfs/dbraw/zinc/17/56/65/365175665.db2.gz GQNJPBPMTVMWKV-LPEHRKFASA-N 2 0 213.325 0.086 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000574808891 365149179 /nfs/dbraw/zinc/14/91/79/365149179.db2.gz LJMISSHBVYFSGL-DCAQKATOSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000191987571 365220036 /nfs/dbraw/zinc/22/00/36/365220036.db2.gz CHHWVCBVMPGAOD-DCAQKATOSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000575121391 365211043 /nfs/dbraw/zinc/21/10/43/365211043.db2.gz NUNRXACEZRCPJP-DCAQKATOSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000575124871 365212551 /nfs/dbraw/zinc/21/25/51/365212551.db2.gz KVVDKKZURRYZIL-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@]1(C[NH2+]CC[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000575123283 365212730 /nfs/dbraw/zinc/21/27/30/365212730.db2.gz ARFRSKOKRKELFU-NEPJUHHUSA-N 3 0 211.353 0.575 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)C2([NH3+])CC2)cc1 ZINC000575125351 365212896 /nfs/dbraw/zinc/21/28/96/365212896.db2.gz AYYQBKGOIDWMME-UHFFFAOYSA-N 2 0 219.288 0.253 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)[C@H](C)[NH2+]C ZINC000575137363 365218266 /nfs/dbraw/zinc/21/82/66/365218266.db2.gz WHOOVKVYOBFFMM-NSHDSACASA-N 2 0 229.368 0.833 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000575198651 365239947 /nfs/dbraw/zinc/23/99/47/365239947.db2.gz SAVGMAOLCZUZBI-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP CCCN(C(=O)[C@@H](C)[C@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000192086661 365274766 /nfs/dbraw/zinc/27/47/66/365274766.db2.gz LCEWJMNYBRCRRI-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444165815 193039112 /nfs/dbraw/zinc/03/91/12/193039112.db2.gz IKELIHAHEFUSMB-NWDGAFQWSA-N 2 0 239.363 0.585 20 0 BCADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000444168555 193039434 /nfs/dbraw/zinc/03/94/34/193039434.db2.gz PCSQAVOPNWGIFV-SGMGOOAPSA-N 2 0 249.358 0.293 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444175819 193040016 /nfs/dbraw/zinc/04/00/16/193040016.db2.gz MFUBIUSLUBFCLG-MPKXVKKWSA-N 2 0 249.358 0.339 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]1CC[NH2+]1)C1CCCCC1 ZINC000444179252 193040262 /nfs/dbraw/zinc/04/02/62/193040262.db2.gz ZEOWLMMAZLFGTD-GFCCVEGCSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444187334 193040798 /nfs/dbraw/zinc/04/07/98/193040798.db2.gz SWRJSLLKFSMMLL-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444187331 193041158 /nfs/dbraw/zinc/04/11/58/193041158.db2.gz SWRJSLLKFSMMLL-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)[N@@H+]1CCC[C@H](C)C1 ZINC000444191667 193041460 /nfs/dbraw/zinc/04/14/60/193041460.db2.gz XVFYDXGVKXAUFX-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444191696 193041582 /nfs/dbraw/zinc/04/15/82/193041582.db2.gz YFVAENFRQCPMNA-NWDGAFQWSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@]1(C(=O)NCC[C@H]2CCC[NH2+]2)CCCC[NH2+]1 ZINC000444259876 193042057 /nfs/dbraw/zinc/04/20/57/193042057.db2.gz PCEXZLBRLMWBKJ-DGCLKSJQSA-N 2 0 239.363 0.777 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444259518 193042897 /nfs/dbraw/zinc/04/28/97/193042897.db2.gz NFWKCXOESNYHKR-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000444267761 193043099 /nfs/dbraw/zinc/04/30/99/193043099.db2.gz IAHLLOYLHIHPAO-SDDRHHMPSA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+][C@H]1CCC[C@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000444261992 193043370 /nfs/dbraw/zinc/04/33/70/193043370.db2.gz HZMDUMYHZPNVBQ-SDDRHHMPSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)C2(C[NH3+])CCCC2)C1 ZINC000575802367 365367935 /nfs/dbraw/zinc/36/79/35/365367935.db2.gz MQHGUQFXCXLQGM-WDEREUQCSA-N 2 0 239.363 0.749 20 0 BCADRP C[C@]1(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000579572341 366881269 /nfs/dbraw/zinc/88/12/69/366881269.db2.gz ZYWJFUGUFAWQQB-NQBHXWOUSA-N 2 0 239.363 0.762 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000575869624 365396453 /nfs/dbraw/zinc/39/64/53/365396453.db2.gz DTBUWLWSAXOFJN-KKZNHRDASA-N 2 0 215.341 0.746 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000579590400 366894383 /nfs/dbraw/zinc/89/43/83/366894383.db2.gz DYMBZSJMTSKINK-ATZCPNFKSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000579590697 366896012 /nfs/dbraw/zinc/89/60/12/366896012.db2.gz AIKHOXFJRYSSQK-SNVBAGLBSA-N 2 0 237.347 0.481 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000579594191 366897325 /nfs/dbraw/zinc/89/73/25/366897325.db2.gz DEUSJEOEXJAAGG-DBIOUOCHSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000576150165 365502049 /nfs/dbraw/zinc/50/20/49/365502049.db2.gz HDHBWGGKPWDLJI-RYUDHWBXSA-N 2 0 242.363 0.458 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000576159322 365504470 /nfs/dbraw/zinc/50/44/70/365504470.db2.gz VJGCPCYKJQCCFQ-WCBMZHEXSA-N 2 0 213.325 0.038 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000564971366 325836036 /nfs/dbraw/zinc/83/60/36/325836036.db2.gz ZPTJMBXRTWKOOW-FRRDWIJNSA-N 2 0 223.364 0.527 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000564955448 325833059 /nfs/dbraw/zinc/83/30/59/325833059.db2.gz SGFJUTKALMZJGL-GHMZBOCLSA-N 2 0 227.352 0.762 20 0 BCADRP COCC[NH2+]CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000579733114 366998271 /nfs/dbraw/zinc/99/82/71/366998271.db2.gz FHELTUBREYSTPC-GHMZBOCLSA-N 2 0 215.341 0.082 20 0 BCADRP COCC[NH2+]CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000579733116 366998707 /nfs/dbraw/zinc/99/87/07/366998707.db2.gz FHELTUBREYSTPC-QWRGUYRKSA-N 2 0 215.341 0.082 20 0 BCADRP [NH3+]CCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000579834853 367038429 /nfs/dbraw/zinc/03/84/29/367038429.db2.gz XOAQVCDGDPYYAZ-UHFFFAOYSA-N 2 0 219.288 0.620 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)C1(C[NH3+])CCCC1 ZINC000579836820 367039348 /nfs/dbraw/zinc/03/93/48/367039348.db2.gz WTIIKFWXZLHISS-BDAKNGLRSA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000579853768 367052704 /nfs/dbraw/zinc/05/27/04/367052704.db2.gz AKSXQTHWIKMLKA-VXGBXAGGSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CC[NH2+]C1CC1 ZINC000579858101 367054723 /nfs/dbraw/zinc/05/47/23/367054723.db2.gz QVRKINYWRNAIHE-UWVGGRQHSA-N 2 0 225.336 0.324 20 0 BCADRP COC[C@@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000579948002 367096226 /nfs/dbraw/zinc/09/62/26/367096226.db2.gz MXTPBIMTYICMGZ-ZDUSSCGKSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000580832912 367181034 /nfs/dbraw/zinc/18/10/34/367181034.db2.gz KKNBMDCSHCTYOG-JBLDHEPKSA-N 2 0 235.331 0.581 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000580832913 367181584 /nfs/dbraw/zinc/18/15/84/367181584.db2.gz KKNBMDCSHCTYOG-NHCYSSNCSA-N 2 0 235.331 0.581 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)CC[C@@H](C)[NH3+] ZINC000193170952 367154057 /nfs/dbraw/zinc/15/40/57/367154057.db2.gz UKSZZXSMQZMGKF-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000193170456 367154209 /nfs/dbraw/zinc/15/42/09/367154209.db2.gz NZCYCNHLVHYUMB-QWRGUYRKSA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)CC[C@@H](C)[NH3+] ZINC000193170918 367154322 /nfs/dbraw/zinc/15/43/22/367154322.db2.gz UKSZZXSMQZMGKF-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)CC[C@H](C)[NH3+])C1 ZINC000193170199 367154557 /nfs/dbraw/zinc/15/45/57/367154557.db2.gz OGRGYXSQANZLGD-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1CCC[NH2+]1 ZINC000580780825 367163253 /nfs/dbraw/zinc/16/32/53/367163253.db2.gz FXBFSKLBGLZENB-QWKFWESOSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)CC[C@@H]1[NH3+] ZINC000580891976 367198944 /nfs/dbraw/zinc/19/89/44/367198944.db2.gz VDSYBHCJLMUEEQ-MIMYLULJSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000580941856 367211414 /nfs/dbraw/zinc/21/14/14/367211414.db2.gz DNHRBKRKFALMLI-TUAOUCFPSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000580952886 367215538 /nfs/dbraw/zinc/21/55/38/367215538.db2.gz ZPZHLOXIFXDALT-INTQDDNPSA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000581120792 367268064 /nfs/dbraw/zinc/26/80/64/367268064.db2.gz BGAXMERDZXSBAH-VXGBXAGGSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+][C@@H]1Cc2ccccc2N(C(=O)C2([NH3+])CC2)C1 ZINC000581126574 367269892 /nfs/dbraw/zinc/26/98/92/367269892.db2.gz SYVLGUODJZJUBI-SNVBAGLBSA-N 2 0 231.299 0.394 20 0 BCADRP CC[NH2+][C@H](C)CNCc1nccn1CC ZINC000581178698 367284277 /nfs/dbraw/zinc/28/42/77/367284277.db2.gz AIQDVAXVZZGERP-SNVBAGLBSA-N 2 0 210.325 0.991 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000581309960 367337747 /nfs/dbraw/zinc/33/77/47/367337747.db2.gz AIDILBIFBIOVTJ-AGIUHOORSA-N 3 0 225.380 0.916 20 0 BCADRP CC[NH2+]CCCNC(=O)NCC[NH+](CC)CC ZINC000581180176 367285385 /nfs/dbraw/zinc/28/53/85/367285385.db2.gz QVPNCTHYAMSXSD-UHFFFAOYSA-N 2 0 244.383 0.627 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000581187552 367286438 /nfs/dbraw/zinc/28/64/38/367286438.db2.gz CHHCULGWQUUZHK-PWSUYJOCSA-N 2 0 248.330 0.030 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000581189818 367288567 /nfs/dbraw/zinc/28/85/67/367288567.db2.gz LYQATUBSYIPILD-LLVKDONJSA-N 2 0 219.288 0.319 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000581190090 367288942 /nfs/dbraw/zinc/28/89/42/367288942.db2.gz QBYRTWYNTJRTAG-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000581190575 367289500 /nfs/dbraw/zinc/28/95/00/367289500.db2.gz UETIUSOOMOBYNJ-VHSXEESVSA-N 2 0 225.336 0.230 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000581190462 367289595 /nfs/dbraw/zinc/28/95/95/367289595.db2.gz QMXRSQWTVGZBOZ-ZYHUDNBSSA-N 2 0 227.352 0.429 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000581190841 367290156 /nfs/dbraw/zinc/29/01/56/367290156.db2.gz ZUNQQONBVPKIET-FXPVBKGRSA-N 2 0 213.325 0.025 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000381354464 367386568 /nfs/dbraw/zinc/38/65/68/367386568.db2.gz CLGBUYFRONGRME-IUCAKERBSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C[C@H]1CCC[NH2+]C1 ZINC000381362837 367387779 /nfs/dbraw/zinc/38/77/79/367387779.db2.gz FKLMBQMSAHWEDL-GRYCIOLGSA-N 3 0 211.353 0.655 20 0 BCADRP CCCC(CCC)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000581364009 367394135 /nfs/dbraw/zinc/39/41/35/367394135.db2.gz GOVWHFLVPOXWGT-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@@H]1CN(C(=O)CCCC[NH3+])C[C@@H](C)[NH2+]1 ZINC000381401433 367395113 /nfs/dbraw/zinc/39/51/13/367395113.db2.gz QEQGWMNBPMKGJQ-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[NH+](C)CCNC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000581368223 367399626 /nfs/dbraw/zinc/39/96/26/367399626.db2.gz UGTLVQSAZHZQTQ-ZDUSSCGKSA-N 2 0 249.358 0.624 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)CC[C@@H](C)[NH3+])C1 ZINC000581369011 367400331 /nfs/dbraw/zinc/40/03/31/367400331.db2.gz XXXPLWVPORXOHH-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)CC[C@H](C)[NH3+])C1 ZINC000581369013 367400449 /nfs/dbraw/zinc/40/04/49/367400449.db2.gz XXXPLWVPORXOHH-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000381441369 367404317 /nfs/dbraw/zinc/40/43/17/367404317.db2.gz ZHIXWOZXSDLZNO-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]CCCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000381513712 367423295 /nfs/dbraw/zinc/42/32/95/367423295.db2.gz YWZSWNFVHHBXEF-SNVBAGLBSA-N 2 0 213.325 0.102 20 0 BCADRP CC(C)(C[NH3+])NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000381547121 367428929 /nfs/dbraw/zinc/42/89/29/367428929.db2.gz LBJNTWBHVVZEEX-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)C[NH3+])C1 ZINC000381285700 367375117 /nfs/dbraw/zinc/37/51/17/367375117.db2.gz ZNUYHOPYESRHIM-UWVGGRQHSA-N 2 0 213.325 0.039 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000581437604 367471168 /nfs/dbraw/zinc/47/11/68/367471168.db2.gz QSGIBFVJUHATSM-AVGNSLFASA-N 2 0 243.395 0.323 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC(C[NH2+]C)CC1 ZINC000381644775 367443025 /nfs/dbraw/zinc/44/30/25/367443025.db2.gz BHIVWSACXGQPRL-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000381712136 367450359 /nfs/dbraw/zinc/45/03/59/367450359.db2.gz KLHWWMNGHHVGFE-GXSJLCMTSA-N 2 0 213.325 0.324 20 0 BCADRP COC[C@@](C)(O)C[NH2+][C@H](C)CCCC[NH3+] ZINC000382549797 367537290 /nfs/dbraw/zinc/53/72/90/367537290.db2.gz HCBGERUJKYLNAB-MNOVXSKESA-N 2 0 218.341 0.491 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000382925346 367568379 /nfs/dbraw/zinc/56/83/79/367568379.db2.gz DFWFGVXOGRFYDN-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000382965263 367574741 /nfs/dbraw/zinc/57/47/41/367574741.db2.gz PUVXNAKOQUIRLR-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC1CC[NH+](C)CC1 ZINC000383161400 367602825 /nfs/dbraw/zinc/60/28/25/367602825.db2.gz NVFZXCFZPOXGBZ-SECBINFHSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCCC[NH+](C)C ZINC000383316380 367612584 /nfs/dbraw/zinc/61/25/84/367612584.db2.gz IVXNDFWVXVXKPB-VIFPVBQESA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000581607239 367630174 /nfs/dbraw/zinc/63/01/74/367630174.db2.gz OWCWEISBXACUCP-UHFFFAOYSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000383370046 367617994 /nfs/dbraw/zinc/61/79/94/367617994.db2.gz ODJZAPGFKRYGJO-SECBINFHSA-N 2 0 213.325 0.195 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000581608053 367632119 /nfs/dbraw/zinc/63/21/19/367632119.db2.gz JGRCKRNLQPRWDF-GFCCVEGCSA-N 2 0 247.342 0.622 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000581656779 367657224 /nfs/dbraw/zinc/65/72/24/367657224.db2.gz QSGNCYUWMOQMGQ-GHMZBOCLSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000581666175 367664929 /nfs/dbraw/zinc/66/49/29/367664929.db2.gz FKKWETJSZRCUFJ-VIFPVBQESA-N 2 0 233.315 0.614 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000384811756 367735756 /nfs/dbraw/zinc/73/57/56/367735756.db2.gz GGKOIVNBKBRGGP-LLVKDONJSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[NH2+]1)c1ccccc1 ZINC000384813868 367736684 /nfs/dbraw/zinc/73/66/84/367736684.db2.gz IXWCYZJTRFQKJQ-OLZOCXBDSA-N 2 0 247.342 0.767 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC[NH2+]1 ZINC000384834839 367740056 /nfs/dbraw/zinc/74/00/56/367740056.db2.gz NQIQABDQNKWFCT-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CC[NH2+]1 ZINC000384840648 367741164 /nfs/dbraw/zinc/74/11/64/367741164.db2.gz SZSQZGSEQNWFMN-GMTAPVOTSA-N 2 0 223.320 0.091 20 0 BCADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC[NH2+]1 ZINC000384840669 367741181 /nfs/dbraw/zinc/74/11/81/367741181.db2.gz TVOJYGVCQRFUSK-GHMZBOCLSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)[C@H](C)O1 ZINC000384921515 367757243 /nfs/dbraw/zinc/75/72/43/367757243.db2.gz RHACSUKTWJJDFC-VOAKCMCISA-N 2 0 242.363 0.599 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000372418795 181432221 /nfs/dbraw/zinc/43/22/21/181432221.db2.gz YNAMUCLKHMBLGM-SRVKXCTJSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H](C)O1 ZINC000384961215 367765660 /nfs/dbraw/zinc/76/56/60/367765660.db2.gz SEGPEPQCIZIWOF-UTUOFQBUSA-N 2 0 230.352 0.720 20 0 BCADRP C[NH2+]CCCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000566203671 326012619 /nfs/dbraw/zinc/01/26/19/326012619.db2.gz ZQDUPURMQSCFMA-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@]1(C(=O)NCC[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000581777073 367826076 /nfs/dbraw/zinc/82/60/76/367826076.db2.gz VHHIQSJFINXBCL-DGCLKSJQSA-N 2 0 239.363 0.634 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000581885217 367876878 /nfs/dbraw/zinc/87/68/78/367876878.db2.gz MKGGUHISOZWGTR-KOLCDFICSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC1(C)CC[NH2+]CC1 ZINC000581885041 367877279 /nfs/dbraw/zinc/87/72/79/367877279.db2.gz BWACCWGFSGQGNA-UHFFFAOYSA-N 2 0 227.352 0.633 20 0 BCADRP C[C@H](NCCNC(=O)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000386062269 367907050 /nfs/dbraw/zinc/90/70/50/367907050.db2.gz XONRHFYAZWWBIJ-CMPLNLGQSA-N 2 0 239.363 0.633 20 0 BCADRP CC(=O)NCCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000385974679 367891470 /nfs/dbraw/zinc/89/14/70/367891470.db2.gz HFHBLIGVFXBLDM-CMPLNLGQSA-N 2 0 227.352 0.633 20 0 BCADRP CC(=O)NCCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000385974686 367891928 /nfs/dbraw/zinc/89/19/28/367891928.db2.gz HFHBLIGVFXBLDM-ZYHUDNBSSA-N 2 0 227.352 0.633 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000581954426 368021061 /nfs/dbraw/zinc/02/10/61/368021061.db2.gz WZSQQXICQHRIOT-WYUUTHIRSA-N 3 0 211.353 0.973 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000582001554 368118904 /nfs/dbraw/zinc/11/89/04/368118904.db2.gz XKWBAPAYRXIDCL-GHMZBOCLSA-N 2 0 225.336 0.054 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000615619365 368123580 /nfs/dbraw/zinc/12/35/80/368123580.db2.gz NXWYOCMBPHIKNX-ZDUSSCGKSA-N 2 0 239.363 0.492 20 0 BCADRP CC(C)[C@H](C(=O)N1CC(C[NH+](C)C)C1)[NH+](C)C ZINC000615504787 368080400 /nfs/dbraw/zinc/08/04/00/368080400.db2.gz XEXFQGOJMNWKPR-GFCCVEGCSA-N 2 0 241.379 0.593 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC(C[NH+](C)C)C1)[NH+](C)C ZINC000615504788 368080557 /nfs/dbraw/zinc/08/05/57/368080557.db2.gz XEXFQGOJMNWKPR-LBPRGKRZSA-N 2 0 241.379 0.593 20 0 BCADRP C[NH+](C)CC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000615510879 368084605 /nfs/dbraw/zinc/08/46/05/368084605.db2.gz YWSCFMWBRYOLNU-NSHDSACASA-N 2 0 225.336 0.101 20 0 BCADRP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)C)C1 ZINC000566444537 326047967 /nfs/dbraw/zinc/04/79/67/326047967.db2.gz HFTVMAKJXOECNK-NSHDSACASA-N 2 0 227.352 0.348 20 0 BCADRP C[C@@H](O)[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000566910880 326092839 /nfs/dbraw/zinc/09/28/39/326092839.db2.gz KTQQUADXXVAKBF-NWDGAFQWSA-N 2 0 243.395 0.371 20 0 BCADRP CC[NH+](CC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000061757486 368568877 /nfs/dbraw/zinc/56/88/77/368568877.db2.gz ZMHYTWCUXGROPX-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP [NH3+][C@H](Cc1ccccc1)C(=O)NC1CC[NH2+]CC1 ZINC000082261718 368661779 /nfs/dbraw/zinc/66/17/79/368661779.db2.gz YQHZNLXTTRHFLD-CYBMUJFWSA-N 2 0 247.342 0.425 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000154395172 326142419 /nfs/dbraw/zinc/14/24/19/326142419.db2.gz MHTHWBFCLHVDAV-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]1C[C@@H]1[NH3+])C1CCCC1 ZINC000070945266 368768022 /nfs/dbraw/zinc/76/80/22/368768022.db2.gz RAWHWWBPGCQNRL-MNOVXSKESA-N 2 0 225.336 0.324 20 0 BCADRP O=C(NCC[N@H+]1CC=CCC1)[C@@H]1CCC[NH2+]C1 ZINC000083887483 368835360 /nfs/dbraw/zinc/83/53/60/368835360.db2.gz ZOYRYBRKBSTDNK-GFCCVEGCSA-N 2 0 237.347 0.364 20 0 BCADRP C[NH+](C)C[C@H]1CCCCN1C(=O)CC[NH3+] ZINC000083914411 368839990 /nfs/dbraw/zinc/83/99/90/368839990.db2.gz OXOWJGGZECEXBL-SNVBAGLBSA-N 2 0 213.325 0.278 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000087619778 368895735 /nfs/dbraw/zinc/89/57/35/368895735.db2.gz ZBIXSFIHNFYITI-ZDUSSCGKSA-N 2 0 247.342 0.551 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCOC1 ZINC000111163421 368850772 /nfs/dbraw/zinc/85/07/72/368850772.db2.gz SOOHBFZUVJQWPB-ZDUSSCGKSA-N 2 0 241.379 0.250 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)CC[C@@H]1[NH3+] ZINC000631822335 368975712 /nfs/dbraw/zinc/97/57/12/368975712.db2.gz ZNWDNMJVARYKHA-VWYCJHECSA-N 2 0 235.335 0.435 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C[C@H]2CCc3ncnn32)C1 ZINC000631835437 369043631 /nfs/dbraw/zinc/04/36/31/369043631.db2.gz UUSKAIQIAMKSBK-VXGBXAGGSA-N 2 0 249.362 0.969 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631825300 368988559 /nfs/dbraw/zinc/98/85/59/368988559.db2.gz DZPRXPICUOHDDU-RYUDHWBXSA-N 2 0 249.362 0.826 20 0 BCADRP C[C@@H]1C[N@H+](CCN2CCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC000631837275 369095124 /nfs/dbraw/zinc/09/51/24/369095124.db2.gz QMNHXCISEQRIOF-JHJVBQTASA-N 2 0 241.379 0.234 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000331844701 181456636 /nfs/dbraw/zinc/45/66/36/181456636.db2.gz LEHAPTHFMYYZRH-GHMZBOCLSA-N 2 0 240.351 0.247 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000567383894 326180769 /nfs/dbraw/zinc/18/07/69/326180769.db2.gz CZEBFVFKXACOFD-GXFFZTMASA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)[NH+](C)C ZINC000156204593 326221937 /nfs/dbraw/zinc/22/19/37/326221937.db2.gz IQGBQAQNNDPRBW-VXGBXAGGSA-N 2 0 241.379 0.783 20 0 BCADRP C[NH2+]CCCC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404906550 369438534 /nfs/dbraw/zinc/43/85/34/369438534.db2.gz YZJUTINNPYXYQY-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@@H]1C[C@H](N)C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000631860637 369469369 /nfs/dbraw/zinc/46/93/69/369469369.db2.gz METXSZUEZBNWDP-UTUOFQBUSA-N 2 0 211.353 0.798 20 0 BCADRP CCN(C)C(=O)CCN1C[C@@H]([NH3+])C[C@H]1C ZINC000631862016 369474974 /nfs/dbraw/zinc/47/49/74/369474974.db2.gz KGSUWZQXJCPKAQ-ZJUUUORDSA-N 2 0 213.325 0.276 20 0 BCADRP COC(=O)C[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000259913055 370955123 /nfs/dbraw/zinc/95/51/23/370955123.db2.gz GODONDJBEMPMLO-QWRGUYRKSA-N 2 0 226.320 0.623 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@H](CC[NH3+])C1)[C@H](C)[NH3+] ZINC000567837252 326267151 /nfs/dbraw/zinc/26/71/51/326267151.db2.gz HJWXTVPGAXZPTB-OUAUKWLOSA-N 2 0 227.352 0.557 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000165609810 203384910 /nfs/dbraw/zinc/38/49/10/203384910.db2.gz XHCVVXSBIJHYTG-RYUDHWBXSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000165609937 203385081 /nfs/dbraw/zinc/38/50/81/203385081.db2.gz XHCVVXSBIJHYTG-NWDGAFQWSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H](C)CN(C)C ZINC000166145802 203388514 /nfs/dbraw/zinc/38/85/14/203388514.db2.gz YKQNCPOUCVIHFJ-GRYCIOLGSA-N 2 0 229.368 0.293 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC000619895612 369628023 /nfs/dbraw/zinc/62/80/23/369628023.db2.gz VSPGOVPGGANZON-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000619900445 369631722 /nfs/dbraw/zinc/63/17/22/369631722.db2.gz VLNPZGXKIYKILX-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000568150830 326313361 /nfs/dbraw/zinc/31/33/61/326313361.db2.gz WVVKNOFRPUEAKL-BMQDGWLCSA-N 2 0 225.336 0.311 20 0 BCADRP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252696476 370117411 /nfs/dbraw/zinc/11/74/11/370117411.db2.gz AMEHLEPIADMURA-MXWKQRLJSA-N 2 0 241.379 0.959 20 0 BCADRP [NH3+]CCCC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000309652356 370240299 /nfs/dbraw/zinc/24/02/99/370240299.db2.gz YCNSORDJCHYFJD-VHSXEESVSA-N 2 0 213.325 0.359 20 0 BCADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000309831898 370265743 /nfs/dbraw/zinc/26/57/43/370265743.db2.gz YSQMRVKDWGGRMO-GRYCIOLGSA-N 2 0 211.353 0.655 20 0 BCADRP COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@H]1C(C)C ZINC000568247393 326333887 /nfs/dbraw/zinc/33/38/87/326333887.db2.gz LFZAKRYMXPCFKF-OLZOCXBDSA-N 2 0 244.379 0.656 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000310364553 370340223 /nfs/dbraw/zinc/34/02/23/370340223.db2.gz LNUKMLTWUXMPBR-DTWKUNHWSA-N 2 0 249.305 0.427 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621679796 370428938 /nfs/dbraw/zinc/42/89/38/370428938.db2.gz UQYLYUSGWBRYMS-SCVCMEIPSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621679572 370429552 /nfs/dbraw/zinc/42/95/52/370429552.db2.gz OVXSCAQAHQABJZ-KQXIARHKSA-N 2 0 237.347 0.454 20 0 BCADRP [NH3+]C1(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000621683515 370432917 /nfs/dbraw/zinc/43/29/17/370432917.db2.gz XDZMARXFFRHJQB-JOYOIKCWSA-N 2 0 223.320 0.208 20 0 BCADRP [NH3+]CCCCC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684335 370433727 /nfs/dbraw/zinc/43/37/27/370433727.db2.gz KUASPLYBKCRLGV-CMPLNLGQSA-N 2 0 225.336 0.455 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[NH2+]1)C2 ZINC000621683863 370433930 /nfs/dbraw/zinc/43/39/30/370433930.db2.gz CUGGFKHRARXNLR-GVXVVHGQSA-N 2 0 237.347 0.468 20 0 BCADRP CC[NH2+]CCCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621621356 370405721 /nfs/dbraw/zinc/40/57/21/370405721.db2.gz ZVCFWUOBZAVOIT-GFCCVEGCSA-N 2 0 241.379 0.882 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCC[NH2+]1 ZINC000621622169 370406330 /nfs/dbraw/zinc/40/63/30/370406330.db2.gz WSMKAKGKCYWLHP-RYUDHWBXSA-N 2 0 239.363 0.634 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@H]1CCC[NH2+]1 ZINC000621622168 370406773 /nfs/dbraw/zinc/40/67/73/370406773.db2.gz WSMKAKGKCYWLHP-NWDGAFQWSA-N 2 0 239.363 0.634 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684505 370434672 /nfs/dbraw/zinc/43/46/72/370434672.db2.gz NIMLWGATBSDWNQ-VAOFZXAKSA-N 2 0 247.289 0.309 20 0 BCADRP CC(C)([NH3+])CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621624048 370407359 /nfs/dbraw/zinc/40/73/59/370407359.db2.gz TWNXYBGMHAPYDY-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621622766 370407881 /nfs/dbraw/zinc/40/78/81/370407881.db2.gz MGIUIYMVNQQOKH-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)o1 ZINC000621684891 370434700 /nfs/dbraw/zinc/43/47/00/370434700.db2.gz VGYQNTUVGUESKM-NOZJJQNGSA-N 2 0 249.314 0.692 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684434 370434888 /nfs/dbraw/zinc/43/48/88/370434888.db2.gz MISBGPLCMRCVEX-MDZLAQPJSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621685132 370434924 /nfs/dbraw/zinc/43/49/24/370434924.db2.gz ZGMDETNWYCSDFQ-AAEUAGOBSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684731 370434936 /nfs/dbraw/zinc/43/49/36/370434936.db2.gz RKMLWHDJRIDUFF-YWVKMMECSA-N 2 0 211.309 0.064 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684890 370434989 /nfs/dbraw/zinc/43/49/89/370434989.db2.gz VELBVGQLJNTYLB-ZYHUDNBSSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621665203 370418292 /nfs/dbraw/zinc/41/82/92/370418292.db2.gz UCCRHYGMTBSASH-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621698643 370445014 /nfs/dbraw/zinc/44/50/14/370445014.db2.gz CBNOSMSGDBYFAP-TVQRCGJNSA-N 2 0 246.314 0.448 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621699910 370446000 /nfs/dbraw/zinc/44/60/00/370446000.db2.gz DQQONNJXVVISQZ-MWGHHZFTSA-N 2 0 223.320 0.064 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)[NH+](C)C ZINC000621698984 370446022 /nfs/dbraw/zinc/44/60/22/370446022.db2.gz JVDJFBZZTXYUMR-JBLDHEPKSA-N 2 0 225.336 0.276 20 0 BCADRP [NH3+]C1(CC(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621700443 370446364 /nfs/dbraw/zinc/44/63/64/370446364.db2.gz OWWARTZYOIGGSE-BXKDBHETSA-N 2 0 223.320 0.208 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621699913 370446383 /nfs/dbraw/zinc/44/63/83/370446383.db2.gz DQQONNJXVVISQZ-UXCLJVHYSA-N 2 0 223.320 0.064 20 0 BCADRP CC[NH+](CC)CCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000568390573 326353196 /nfs/dbraw/zinc/35/31/96/326353196.db2.gz VTXMCLIBMXINHD-GHMZBOCLSA-N 2 0 244.383 0.753 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(C[C@@H]1CCC[NH2+]C1)C2 ZINC000621777299 370526164 /nfs/dbraw/zinc/52/61/64/370526164.db2.gz ABNXYQHTMGUWHA-AGIUHOORSA-N 2 0 223.364 0.799 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(CCn1cncn1)C2 ZINC000621781951 370530062 /nfs/dbraw/zinc/53/00/62/370530062.db2.gz KJTKJQYDZPNEGO-MNOVXSKESA-N 2 0 221.308 0.091 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@@H]1CCOC1)C2 ZINC000621782505 370532489 /nfs/dbraw/zinc/53/24/89/370532489.db2.gz PVTNDFCIIWNMTK-TUAOUCFPSA-N 2 0 210.321 0.836 20 0 BCADRP [NH3+]C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCCO1 ZINC000568511760 326361447 /nfs/dbraw/zinc/36/14/47/326361447.db2.gz UYSIRLRKZSUCBT-GFCCVEGCSA-N 3 0 227.352 0.036 20 0 BCADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]C(C)C ZINC000568878258 326380591 /nfs/dbraw/zinc/38/05/91/326380591.db2.gz JKXKIMJHOBTUJI-UHFFFAOYSA-N 2 0 229.368 0.833 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000569218977 326395739 /nfs/dbraw/zinc/39/57/39/326395739.db2.gz JCZIMEWCUSQJHK-VWYCJHECSA-N 2 0 227.352 0.346 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000569240926 326397402 /nfs/dbraw/zinc/39/74/02/326397402.db2.gz YJEQGEXOACJJKE-VLEAKVRGSA-N 2 0 242.367 0.552 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)CCCC[NH3+])C1CC1 ZINC000390463396 371204759 /nfs/dbraw/zinc/20/47/59/371204759.db2.gz GUGROCLAZOXHSF-NSHDSACASA-N 2 0 213.325 0.359 20 0 BCADRP C[NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000124623042 371207608 /nfs/dbraw/zinc/20/76/08/371207608.db2.gz DCIAUIXSKALDAK-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000364182921 181577951 /nfs/dbraw/zinc/57/79/51/181577951.db2.gz NZYVDWRMIKWNPX-MNOVXSKESA-N 2 0 225.336 0.468 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@H]2C[C@@H](O)C2)CC1 ZINC000624219890 371409007 /nfs/dbraw/zinc/40/90/07/371409007.db2.gz BEOPGLDHDCKVRC-KLPPZKSPSA-N 2 0 212.337 0.831 20 0 BCADRP CC[C@@H]1CC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000624230741 371418617 /nfs/dbraw/zinc/41/86/17/371418617.db2.gz FTANRMSSLHKKLF-IJLUTSLNSA-N 2 0 212.337 0.831 20 0 BCADRP O[C@H]1CCN(CC[NH2+][C@@H]2CCCOCC2)C1 ZINC000624336691 371487083 /nfs/dbraw/zinc/48/70/83/371487083.db2.gz XFDBOWSKSLWGAW-NEPJUHHUSA-N 2 0 228.336 0.212 20 0 BCADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCOC[C@H]2O)CC1 ZINC000624235151 371423051 /nfs/dbraw/zinc/42/30/51/371423051.db2.gz FOTXPWFOYJQWMZ-CHWSQXEVSA-N 2 0 242.363 0.599 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000572999499 326423977 /nfs/dbraw/zinc/42/39/77/326423977.db2.gz CGHYNASWJOUYJG-ZJUUUORDSA-N 2 0 245.392 0.183 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000131721100 371660989 /nfs/dbraw/zinc/66/09/89/371660989.db2.gz LIXXWLNBGQJREG-ZJUUUORDSA-N 2 0 245.392 0.325 20 0 BCADRP CCN(C(=O)C[NH+](C)C)C1CC[NH+](C)CC1 ZINC000627618639 371783522 /nfs/dbraw/zinc/78/35/22/371783522.db2.gz AXOQFBWEJSBVGU-UHFFFAOYSA-N 2 0 227.352 0.491 20 0 BCADRP COc1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000228073258 371986406 /nfs/dbraw/zinc/98/64/06/371986406.db2.gz ZTIRGPSSTGSKFQ-TXEJJXNPSA-N 2 0 233.315 0.741 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366562258 181927168 /nfs/dbraw/zinc/92/71/68/181927168.db2.gz AXEOIUZMKPSZDA-DCAQKATOSA-N 2 0 243.326 0.192 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000631810886 372589263 /nfs/dbraw/zinc/58/92/63/372589263.db2.gz HHMJVPQJMCPFQY-KKOKHZNYSA-N 2 0 212.337 0.830 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631823509 372602630 /nfs/dbraw/zinc/60/26/30/372602630.db2.gz GIOJSSSNXMXXOV-GARJFASQSA-N 2 0 235.335 0.435 20 0 BCADRP C[NH2+]CC1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000631821643 372596855 /nfs/dbraw/zinc/59/68/55/372596855.db2.gz FAHMORVGPBTLEZ-GFCCVEGCSA-N 2 0 249.362 0.697 20 0 BCADRP C[C@H]1OCC[C@@H]1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000631828150 372608868 /nfs/dbraw/zinc/60/88/68/372608868.db2.gz GUKPPTVGWYXOFW-GHMZBOCLSA-N 2 0 228.336 0.197 20 0 BCADRP C[NH2+]CCCN(C)Cc1nccnc1C ZINC000631828284 372609149 /nfs/dbraw/zinc/60/91/49/372609149.db2.gz KXDBKXPEHJQRKT-UHFFFAOYSA-N 2 0 208.309 0.826 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@@H]1CCO[C@H]1C ZINC000631828819 372609544 /nfs/dbraw/zinc/60/95/44/372609544.db2.gz ZBQAKURCDQBBTH-QWRGUYRKSA-N 2 0 200.326 0.953 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000631829315 372611863 /nfs/dbraw/zinc/61/18/63/372611863.db2.gz NFSVYCUHWOWEIH-MXWKQRLJSA-N 2 0 235.335 0.577 20 0 BCADRP C[C@H]1C[N@H+](Cc2cccnc2N)C[C@H]1C[NH3+] ZINC000631837594 372628944 /nfs/dbraw/zinc/62/89/44/372628944.db2.gz VBIMQTNESNLBKJ-GXSJLCMTSA-N 2 0 220.320 0.690 20 0 BCADRP C[C@H](CN1CCOCC1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837685 372629049 /nfs/dbraw/zinc/62/90/49/372629049.db2.gz VRUCXGFRLGALLN-JHJVBQTASA-N 2 0 241.379 0.234 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cccnc2N)C[C@H]1C[NH3+] ZINC000631837598 372629995 /nfs/dbraw/zinc/62/99/95/372629995.db2.gz VBIMQTNESNLBKJ-MWLCHTKSSA-N 2 0 220.320 0.690 20 0 BCADRP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840310 372635415 /nfs/dbraw/zinc/63/54/15/372635415.db2.gz BOOOOYWJCWCYNK-OUAUKWLOSA-N 2 0 227.352 0.428 20 0 BCADRP C(CN1C[C@@H]2C[C@H]1C[NH2+]2)C1CC[NH2+]CC1 ZINC000631848533 372646339 /nfs/dbraw/zinc/64/63/39/372646339.db2.gz ASQGQWDTXDFSSF-RYUDHWBXSA-N 2 0 209.337 0.422 20 0 BCADRP C[C@@H]1C[C@@H](N)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000631859527 372648807 /nfs/dbraw/zinc/64/88/07/372648807.db2.gz BMTVRKKUNFICRQ-ZYHUDNBSSA-N 2 0 211.353 0.798 20 0 BCADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000631826763 372605458 /nfs/dbraw/zinc/60/54/58/372605458.db2.gz WLMTWVDUCFWYTH-NWDGAFQWSA-N 2 0 249.362 0.969 20 0 BCADRP CC[C@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863153 372664796 /nfs/dbraw/zinc/66/47/96/372664796.db2.gz RVVQVVOIFJFDQV-JTQLQIEISA-N 2 0 200.326 0.831 20 0 BCADRP CCC1([NH+](C)C)CCN(CCOCC[NH3+])CC1 ZINC000631865476 372666872 /nfs/dbraw/zinc/66/68/72/372666872.db2.gz KRQJNZGTQRWACE-UHFFFAOYSA-N 2 0 243.395 0.768 20 0 BCADRP CC(C)[C@H]1CN(CCOCC[NH3+])CC[N@@H+]1C ZINC000631879586 372678386 /nfs/dbraw/zinc/67/83/86/372678386.db2.gz BHGAAAUHAVCEJF-GFCCVEGCSA-N 2 0 229.368 0.234 20 0 BCADRP C[NH2+]CCCN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888894 372685187 /nfs/dbraw/zinc/68/51/87/372685187.db2.gz CVYPCLUKERFNPX-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631891070 372685762 /nfs/dbraw/zinc/68/57/62/372685762.db2.gz VUYBRZWKMAAZRC-FRRDWIJNSA-N 2 0 239.363 0.049 20 0 BCADRP O=C(C[NH2+]CC1CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000370022249 181978367 /nfs/dbraw/zinc/97/83/67/181978367.db2.gz SMJZGVJDINVECG-LLVKDONJSA-N 2 0 225.336 0.244 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000364482286 182019071 /nfs/dbraw/zinc/01/90/71/182019071.db2.gz JWGSACOPFGCBDL-LLVKDONJSA-N 2 0 225.336 0.198 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)NCC[NH+]1CCCC1 ZINC000042166075 182027300 /nfs/dbraw/zinc/02/73/00/182027300.db2.gz VMKLELDPQVFLIP-LLVKDONJSA-N 2 0 225.336 0.341 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CCC[NH2+]CC1 ZINC000364162370 182028277 /nfs/dbraw/zinc/02/82/77/182028277.db2.gz SCXMGNPLDYVWFG-WDEREUQCSA-N 2 0 225.336 0.387 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]CC1)NC[C@@H]1CCC[NH2+]1 ZINC000364467088 182028417 /nfs/dbraw/zinc/02/84/17/182028417.db2.gz NFQHCNAIMLFFPM-RYUDHWBXSA-N 2 0 239.363 0.634 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000227640521 182029448 /nfs/dbraw/zinc/02/94/48/182029448.db2.gz ZBYAEIIPXFZMDY-MNOVXSKESA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632862292 373197168 /nfs/dbraw/zinc/19/71/68/373197168.db2.gz AQVSPPMBZHSXGL-NWDGAFQWSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000040673626 373584823 /nfs/dbraw/zinc/58/48/23/373584823.db2.gz SLDDHWCVFFIMCI-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP O=C(NCCC[NH+]1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000037467197 182167620 /nfs/dbraw/zinc/16/76/20/182167620.db2.gz CWYZCZTZCKUNLQ-GFCCVEGCSA-N 2 0 239.363 0.731 20 0 BCADRP O=C(NCC[NH2+]C1CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000238101056 182188376 /nfs/dbraw/zinc/18/83/76/182188376.db2.gz FBCLKWNYCBTJGY-NSHDSACASA-N 2 0 237.347 0.244 20 0 BCADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCCCC[NH2+]1 ZINC000364470827 182199364 /nfs/dbraw/zinc/19/93/64/182199364.db2.gz YIDLVZURXVKLQP-RYUDHWBXSA-N 2 0 239.363 0.634 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634269745 374083169 /nfs/dbraw/zinc/08/31/69/374083169.db2.gz IRZXAXTUYFFZBD-GHMZBOCLSA-N 2 0 242.367 0.411 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000634300586 374127177 /nfs/dbraw/zinc/12/71/77/374127177.db2.gz DPRRGHVHPICGGY-GHMZBOCLSA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634300665 374127477 /nfs/dbraw/zinc/12/74/77/374127477.db2.gz HDWVKPMZDZWCJL-NWDGAFQWSA-N 2 0 241.379 0.783 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634300850 374128713 /nfs/dbraw/zinc/12/87/13/374128713.db2.gz NAYPPNCTJXLKHB-NEPJUHHUSA-N 2 0 241.379 0.768 20 0 BCADRP CCC[NH2+]CCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634271256 374084778 /nfs/dbraw/zinc/08/47/78/374084778.db2.gz SJWJXDYSTABPQQ-NSHDSACASA-N 2 0 242.367 0.427 20 0 BCADRP C[C@H]1CN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000634270306 374084863 /nfs/dbraw/zinc/08/48/63/374084863.db2.gz MQACQJSQEXICSV-QWRGUYRKSA-N 2 0 240.351 0.132 20 0 BCADRP O=C(NC[C@H]1CCCC[NH2+]1)N1CCC[NH2+]CC1 ZINC000634270523 374085073 /nfs/dbraw/zinc/08/50/73/374085073.db2.gz NRIBMSNICOZRHR-LLVKDONJSA-N 2 0 240.351 0.133 20 0 BCADRP [NH3+]C1(CNC(=O)NC[C@@H]2CCCC[NH2+]2)CCC1 ZINC000634272063 374086761 /nfs/dbraw/zinc/08/67/61/374086761.db2.gz YWNNTJVIGFWLBN-JTQLQIEISA-N 2 0 240.351 0.309 20 0 BCADRP C[NH+]1CCC(C)(CNC(=O)NCCC[NH3+])CC1 ZINC000418352222 206010314 /nfs/dbraw/zinc/01/03/14/206010314.db2.gz MLWMXSGERKXOLK-UHFFFAOYSA-N 2 0 242.367 0.366 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000418388711 206017455 /nfs/dbraw/zinc/01/74/55/206017455.db2.gz NLJFTQBBKVAHQT-AXFHLTTASA-N 2 0 242.367 0.234 20 0 BCADRP CCCN(C(=O)[C@@H]1C[C@@H]1[NH3+])C1CC[NH2+]CC1 ZINC000424131432 206031595 /nfs/dbraw/zinc/03/15/95/206031595.db2.gz GOXPZUBIZPNUGP-MNOVXSKESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000424130320 206032110 /nfs/dbraw/zinc/03/21/10/206032110.db2.gz HJXABNVMGASDLD-QCNOEVLYSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])c1ccccc1 ZINC000424131461 206032713 /nfs/dbraw/zinc/03/27/13/206032713.db2.gz GQNUCYQTNDFZAA-FRRDWIJNSA-N 2 0 247.342 0.753 20 0 BCADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCNCC1(F)F ZINC000424381568 206039199 /nfs/dbraw/zinc/03/91/99/206039199.db2.gz RABJBWKWGFMBTL-UWVGGRQHSA-N 2 0 235.322 0.948 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C1C[NH2+]C1 ZINC000334150654 182302662 /nfs/dbraw/zinc/30/26/62/182302662.db2.gz JJOZXLPVLHDTGL-LLVKDONJSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000044726738 182302755 /nfs/dbraw/zinc/30/27/55/182302755.db2.gz VGGFKDOFYXBXAQ-ZYHUDNBSSA-N 2 0 237.347 0.481 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000132897573 182303100 /nfs/dbraw/zinc/30/31/00/182303100.db2.gz QHKNBDVDOOMGAJ-UTUOFQBUSA-N 2 0 237.347 0.481 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000131671893 182303831 /nfs/dbraw/zinc/30/38/31/182303831.db2.gz WNPYPXDTXSRIPU-CHWSQXEVSA-N 2 0 245.326 0.179 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000449598544 206099871 /nfs/dbraw/zinc/09/98/71/206099871.db2.gz IQKYKVUPFPAFNV-SRVKXCTJSA-N 2 0 241.379 0.866 20 0 BCADRP O=C(N[C@H]1CCCC[NH2+]C1)N1CCC[NH2+]CC1 ZINC000333705576 182328333 /nfs/dbraw/zinc/32/83/33/182328333.db2.gz RLDXFLGAHOQGLY-NSHDSACASA-N 2 0 240.351 0.133 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000250527334 182336096 /nfs/dbraw/zinc/33/60/96/182336096.db2.gz QHKNBDVDOOMGAJ-SRVKXCTJSA-N 2 0 237.347 0.481 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000166640846 206140210 /nfs/dbraw/zinc/14/02/10/206140210.db2.gz HCZDGPATVJTESA-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H](C)C[NH2+]C ZINC000166639605 206141735 /nfs/dbraw/zinc/14/17/35/206141735.db2.gz BQXPUPNMWWLLJQ-NSHDSACASA-N 2 0 229.368 0.690 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)C(C)(C)C[NH3+] ZINC000166638441 206142826 /nfs/dbraw/zinc/14/28/26/206142826.db2.gz FQKWXIACKSWHAR-UHFFFAOYSA-N 2 0 229.368 0.819 20 0 BCADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000368642310 182345512 /nfs/dbraw/zinc/34/55/12/182345512.db2.gz JXRVHCBMLCJCJH-DIURFFJMSA-N 2 0 249.358 0.241 20 0 BCADRP O=C(Nc1cccc2c1C[NH2+]CC2)[C@@H]1CC[NH2+]C1 ZINC000367652427 182372875 /nfs/dbraw/zinc/37/28/75/182372875.db2.gz DHKNOHACMPEPPO-LLVKDONJSA-N 2 0 245.326 0.880 20 0 BCADRP OCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000224122539 183078979 /nfs/dbraw/zinc/07/89/79/183078979.db2.gz IVFHBQQDANQSIB-SDDRHHMPSA-N 2 0 212.337 0.879 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359381639 169005630 /nfs/dbraw/zinc/00/56/30/169005630.db2.gz BXNZRZKILKTZLA-MXWKQRLJSA-N 2 0 225.336 0.182 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000037480520 169006492 /nfs/dbraw/zinc/00/64/92/169006492.db2.gz LDNBVSOAYHFHDA-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NCC[C@@H](C)[NH3+] ZINC000309000697 169007718 /nfs/dbraw/zinc/00/77/18/169007718.db2.gz OAXLELRBKWJLJT-BDAKNGLRSA-N 2 0 201.314 0.357 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH2+]CC ZINC000309450581 169007922 /nfs/dbraw/zinc/00/79/22/169007922.db2.gz MLMYIFWUBUDSOD-ZJUUUORDSA-N 2 0 215.341 0.618 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000309807261 169007929 /nfs/dbraw/zinc/00/79/29/169007929.db2.gz SMOHWOJCLLHUIW-VHSXEESVSA-N 2 0 213.325 0.357 20 0 BCADRP OC[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000359225405 183154649 /nfs/dbraw/zinc/15/46/49/183154649.db2.gz SWNTWNQATIFRGL-GFCCVEGCSA-N 2 0 228.336 0.069 20 0 BCADRP O[C@@H](C[NH2+][C@@H]1CCCC[C@@H]1O)C[NH+]1CCCC1 ZINC000052014577 183180049 /nfs/dbraw/zinc/18/00/49/183180049.db2.gz NREYEYKDUKTLQO-XQQFMLRXSA-N 2 0 242.363 0.336 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[NH+](C)CC[C@H]1C ZINC000354955870 169067885 /nfs/dbraw/zinc/06/78/85/169067885.db2.gz XSFLYCXTLCEVLD-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000362497638 169068056 /nfs/dbraw/zinc/06/80/56/169068056.db2.gz JDEVWXJJZULEPP-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000358534921 169069330 /nfs/dbraw/zinc/06/93/30/169069330.db2.gz MLNXESGXJVGNGX-GFCCVEGCSA-N 2 0 241.379 0.738 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[NH+](CC)C1CC1 ZINC000359270959 169070792 /nfs/dbraw/zinc/07/07/92/169070792.db2.gz KYWMBTYPLMCEFC-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC)C1 ZINC000355591305 169071408 /nfs/dbraw/zinc/07/14/08/169071408.db2.gz JLPKVMNUBNGHPA-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CC)C1 ZINC000355591303 169073165 /nfs/dbraw/zinc/07/31/65/169073165.db2.gz JLPKVMNUBNGHPA-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000357290714 169073184 /nfs/dbraw/zinc/07/31/84/169073184.db2.gz DIDGNZGUYHMXLM-GMXVVIOVSA-N 2 0 241.379 0.831 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)C[NH3+])C1 ZINC000357234621 169077387 /nfs/dbraw/zinc/07/73/87/169077387.db2.gz CCOAGLCFBMBQAR-NWDGAFQWSA-N 2 0 241.379 0.772 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]C ZINC000309624629 169065723 /nfs/dbraw/zinc/06/57/23/169065723.db2.gz INLZKLMVYARCNF-UHFFFAOYSA-N 2 0 201.314 0.006 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C1CC[NH2+]CC1 ZINC000226406892 169120325 /nfs/dbraw/zinc/12/03/25/169120325.db2.gz FNIQOKKPIFCTLU-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000226407779 169120618 /nfs/dbraw/zinc/12/06/18/169120618.db2.gz LWIKEFIPODYIHY-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H]([NH3+])CC ZINC000226407239 169120682 /nfs/dbraw/zinc/12/06/82/169120682.db2.gz JEXPBPLRXJLOTC-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)CC[NH3+] ZINC000226407768 169121228 /nfs/dbraw/zinc/12/12/28/169121228.db2.gz YFVIFRYCIIPOCE-UHFFFAOYSA-N 2 0 201.314 0.183 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000226407544 169121333 /nfs/dbraw/zinc/12/13/33/169121333.db2.gz SXZMWANADPKCRX-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP CCC[NH+](CCC)CCCNC(=O)C[NH2+]C ZINC000236991364 169146944 /nfs/dbraw/zinc/14/69/44/169146944.db2.gz ULNINSNHBZUOIG-UHFFFAOYSA-N 2 0 229.368 0.834 20 0 BCADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)NC)CC1 ZINC000111240532 169187446 /nfs/dbraw/zinc/18/74/46/169187446.db2.gz ZEFPJVPUOACUHS-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP CCC[NH+]1CCC(NC(=O)C(C)(C)C[NH3+])CC1 ZINC000044752115 169187957 /nfs/dbraw/zinc/18/79/57/169187957.db2.gz HODDHIYMQVQIAT-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP CCC[NH+]1CCC([NH2+]CCOCCO)CC1 ZINC000020198547 169188065 /nfs/dbraw/zinc/18/80/65/169188065.db2.gz CCMOJTLGKGMDCI-UHFFFAOYSA-N 2 0 230.352 0.459 20 0 BCADRP CCC[NH+]1CCC([NH2+][C@H](CO)CCOC)CC1 ZINC000305937626 169189124 /nfs/dbraw/zinc/18/91/24/169189124.db2.gz QKPNDHBXBCCEIM-ZDUSSCGKSA-N 2 0 244.379 0.848 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]C ZINC000236763314 169194684 /nfs/dbraw/zinc/19/46/84/169194684.db2.gz NLPSODDMPPUOIQ-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC ZINC000358950058 169194769 /nfs/dbraw/zinc/19/47/69/169194769.db2.gz WKZMQCXPNKMQBO-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000236766167 169197710 /nfs/dbraw/zinc/19/77/10/169197710.db2.gz UOVRGKJYXDANQZ-NEPJUHHUSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C ZINC000236765252 169198983 /nfs/dbraw/zinc/19/89/83/169198983.db2.gz NLPSODDMPPUOIQ-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000236765444 169199011 /nfs/dbraw/zinc/19/90/11/169199011.db2.gz BOBWZNRZRWDKJF-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP c1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccn1 ZINC000077403805 183345559 /nfs/dbraw/zinc/34/55/59/183345559.db2.gz DGCZLMCTOTVFGY-CQSZACIVSA-N 2 0 246.358 0.561 20 0 BCADRP c1cc(C[NH2+]CCN2CC[NH2+]CC2)cs1 ZINC000063147339 183350616 /nfs/dbraw/zinc/35/06/16/183350616.db2.gz ZWNPQGGRZVJVJR-UHFFFAOYSA-N 2 0 225.361 0.743 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000236783197 169258157 /nfs/dbraw/zinc/25/81/57/169258157.db2.gz DJRCLVKSXHXHOY-LBPRGKRZSA-N 2 0 235.331 0.802 20 0 BCADRP CCCNC(=O)[C@@H](C)[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166176 169240768 /nfs/dbraw/zinc/24/07/68/169240768.db2.gz VQPWCLHXSYSBQJ-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CCCS(=O)(=O)CCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228658585 169329548 /nfs/dbraw/zinc/32/95/48/169329548.db2.gz GMLDPEWGLZKLPQ-WDEREUQCSA-N 2 0 248.392 0.480 20 0 BCADRP CCCS(=O)(=O)CCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226540264 169329754 /nfs/dbraw/zinc/32/97/54/169329754.db2.gz UPIMDDPTPOXXGI-GHMZBOCLSA-N 2 0 248.392 0.480 20 0 BCADRP CCCS(=O)(=O)CCN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000226422352 169329876 /nfs/dbraw/zinc/32/98/76/169329876.db2.gz LWZZEQQVLQLXPZ-QWRGUYRKSA-N 2 0 248.392 0.480 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000226399993 169387778 /nfs/dbraw/zinc/38/77/78/169387778.db2.gz BCJNEUKROUPJDA-WDEREUQCSA-N 2 0 225.336 0.420 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000378172118 169386773 /nfs/dbraw/zinc/38/67/73/169386773.db2.gz XZWPXKXBGGOEPS-GFCCVEGCSA-N 2 0 239.363 0.857 20 0 BCADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[NH+](C)C ZINC000309838153 169398966 /nfs/dbraw/zinc/39/89/66/169398966.db2.gz BXBHFPWGPRHKPT-LLVKDONJSA-N 2 0 229.368 0.831 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000180897255 134332237 /nfs/dbraw/zinc/33/22/37/134332237.db2.gz IOHAMTODPRKSSM-WCQYABFASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCO1 ZINC000223041496 134336025 /nfs/dbraw/zinc/33/60/25/134336025.db2.gz CXVXBYDENWUSDU-JHJVBQTASA-N 2 0 242.363 0.600 20 0 BCADRP CCN1CCC([N@H+](C)CCOCC[NH3+])CC1 ZINC000086435559 535457485 /nfs/dbraw/zinc/45/74/85/535457485.db2.gz CAVZULKVGKEVPQ-UHFFFAOYSA-N 2 0 229.368 0.378 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000184074288 134357717 /nfs/dbraw/zinc/35/77/17/134357717.db2.gz UCRLVJMZBWRHBB-ZYHUDNBSSA-N 2 0 225.336 0.326 20 0 BCADRP O[C@@H](C[NH2+]C[C@H]1CCSC1)C[NH+]1CCCC1 ZINC000226375318 134364592 /nfs/dbraw/zinc/36/45/92/134364592.db2.gz FXZSEKARXFJRSA-NEPJUHHUSA-N 2 0 244.404 0.786 20 0 BCADRP CC(C)([NH3+])CNC(=O)c1coc(C[NH3+])c1 ZINC000309311787 383856624 /nfs/dbraw/zinc/85/66/24/383856624.db2.gz XFPBWNZGAPKVED-UHFFFAOYSA-N 2 0 211.265 0.205 20 0 BCADRP COC(=O)[C@H](C)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000069626997 383834128 /nfs/dbraw/zinc/83/41/28/383834128.db2.gz VGUNYJDQKMCDLX-UTLUCORTSA-N 2 0 214.309 0.607 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](C)C[NH3+] ZINC000357229187 383928826 /nfs/dbraw/zinc/92/88/26/383928826.db2.gz VGLABTAVMDBOMA-QWRGUYRKSA-N 2 0 245.367 0.054 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000309620230 383884588 /nfs/dbraw/zinc/88/45/88/383884588.db2.gz GUHLYLCLQLYSMG-JTQLQIEISA-N 2 0 213.325 0.244 20 0 BCADRP Nc1cc[nH+]cc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647148212 383891645 /nfs/dbraw/zinc/89/16/45/383891645.db2.gz JILZKGDLNNSBLS-SECBINFHSA-N 2 0 231.259 0.969 20 0 BCADRP Nc1cc[nH+]cc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647148213 383892573 /nfs/dbraw/zinc/89/25/73/383892573.db2.gz JILZKGDLNNSBLS-VIFPVBQESA-N 2 0 231.259 0.969 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647148206 383893316 /nfs/dbraw/zinc/89/33/16/383893316.db2.gz JDHGYFLBRZGPBJ-CIUDSAMLSA-N 2 0 222.292 0.960 20 0 BCADRP C[NH2+]CCN(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000569360803 383895575 /nfs/dbraw/zinc/89/55/75/383895575.db2.gz SMNZGIXWFKIBBU-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H](C)CCC[NH3+] ZINC000569361685 383902386 /nfs/dbraw/zinc/90/23/86/383902386.db2.gz LXIJRCWQTUYBIX-SNVBAGLBSA-N 2 0 215.341 0.572 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCC[NH3+] ZINC000569361684 383902491 /nfs/dbraw/zinc/90/24/91/383902491.db2.gz LXIJRCWQTUYBIX-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH3+] ZINC000449361791 383978728 /nfs/dbraw/zinc/97/87/28/383978728.db2.gz YPEQJWRNAFMCPG-JOYOIKCWSA-N 2 0 235.331 0.706 20 0 BCADRP CC[C@H]1CN(C(=O)C2([NH3+])CCCC2)CC[C@@H]1[NH3+] ZINC000648126046 383984007 /nfs/dbraw/zinc/98/40/07/383984007.db2.gz YURHIDVJXIUHCR-QWRGUYRKSA-N 2 0 239.363 0.844 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000178598477 383990294 /nfs/dbraw/zinc/99/02/94/383990294.db2.gz AFZSZQGXOSINET-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)CC[NH+]1CCC(O)(C[NH3+])CC1 ZINC000071508092 383992084 /nfs/dbraw/zinc/99/20/84/383992084.db2.gz UMWMXLRCUCVYPK-UHFFFAOYSA-N 2 0 200.326 0.818 20 0 BCADRP C[NH2+]C1CCN([C@H](C)CN2CCOCC2)CC1 ZINC000518535772 383993639 /nfs/dbraw/zinc/99/36/39/383993639.db2.gz KLLMHEBALPZMPR-GFCCVEGCSA-N 2 0 241.379 0.391 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000357234013 383964494 /nfs/dbraw/zinc/96/44/94/383964494.db2.gz AFSNEXVQTZKIGB-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000643542396 383966438 /nfs/dbraw/zinc/96/64/38/383966438.db2.gz KOPUKQDLWBUIQB-UPJWGTAASA-N 2 0 242.363 0.912 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000569378230 383968808 /nfs/dbraw/zinc/96/88/08/383968808.db2.gz KZVMBZCPWSQUGQ-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000449358962 383970228 /nfs/dbraw/zinc/97/02/28/383970228.db2.gz HAMNSEAXTZXZCW-BXKDBHETSA-N 2 0 237.347 0.480 20 0 BCADRP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089462229 383971050 /nfs/dbraw/zinc/97/10/50/383971050.db2.gz GIUWZHWMBGHZQZ-IJLUTSLNSA-N 2 0 239.363 0.524 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C[NH3+])C1 ZINC000357237268 383971669 /nfs/dbraw/zinc/97/16/69/383971669.db2.gz FLJVPDBLBPMSSG-GHMZBOCLSA-N 2 0 227.352 0.381 20 0 BCADRP C[C@@H]1OCC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000119918249 384016639 /nfs/dbraw/zinc/01/66/39/384016639.db2.gz HLIJVEXGELRHOF-STQMWFEESA-N 2 0 241.379 0.391 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000569339137 384020855 /nfs/dbraw/zinc/02/08/55/384020855.db2.gz QIKDKFACBVVIAT-LBPRGKRZSA-N 2 0 227.352 0.492 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C2([NH3+])CCC2)CC[N@@H+]1C ZINC000157815008 384004556 /nfs/dbraw/zinc/00/45/56/384004556.db2.gz ULGHJSYPFZRUKP-NXEZZACHSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C2([NH3+])CCC2)CC[N@@H+]1C ZINC000157815152 384004750 /nfs/dbraw/zinc/00/47/50/384004750.db2.gz ULGHJSYPFZRUKP-VHSXEESVSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C2([NH3+])CCC2)CC[N@@H+]1C ZINC000157815428 384005698 /nfs/dbraw/zinc/00/56/98/384005698.db2.gz ULGHJSYPFZRUKP-UWVGGRQHSA-N 2 0 225.336 0.467 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000449508317 384010499 /nfs/dbraw/zinc/01/04/99/384010499.db2.gz GRSQFHNENFEXSR-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](C(=O)N(C)CC[NH+](C)C)[NH+]1CC(C)C1 ZINC000518561130 384010597 /nfs/dbraw/zinc/01/05/97/384010597.db2.gz HBRBCFXVYZYTMZ-LLVKDONJSA-N 2 0 227.352 0.347 20 0 BCADRP CC1(NC(=O)CC[C@@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000648127126 384011556 /nfs/dbraw/zinc/01/15/56/384011556.db2.gz NCMIUEFMZFPVOB-NSHDSACASA-N 2 0 239.363 0.777 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)NC[C@@H](C)[NH3+] ZINC000648129369 384083879 /nfs/dbraw/zinc/08/38/79/384083879.db2.gz VJRTUKHLCPDXQC-SNVBAGLBSA-N 2 0 235.331 0.526 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000648130043 384086125 /nfs/dbraw/zinc/08/61/25/384086125.db2.gz DABXOGNCYQQFKP-QCNOEVLYSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)CC[C@H]2CC[NH2+]C2)[C@H]1C ZINC000648127733 384054807 /nfs/dbraw/zinc/05/48/07/384054807.db2.gz UQGFMBNISOGHFZ-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)c2ccnc(C[NH3+])c2)[C@H]1C ZINC000648127660 384054825 /nfs/dbraw/zinc/05/48/25/384054825.db2.gz DTWGHGUJIJFWOG-ZJUUUORDSA-N 2 0 248.330 0.363 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000648127718 384055026 /nfs/dbraw/zinc/05/50/26/384055026.db2.gz PYPDCSBSZZJAFJ-HBNTYKKESA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@]1(CNC(=O)[C@@H]([NH3+])CC(F)F)CCC[NH2+]C1 ZINC000569456155 384061549 /nfs/dbraw/zinc/06/15/49/384061549.db2.gz VYNXCPNIJDFCFA-GZMMTYOYSA-N 2 0 249.305 0.475 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H](C)Cn1ccnc1 ZINC000069839341 384065888 /nfs/dbraw/zinc/06/58/88/384065888.db2.gz JMTVNTUTYACUBM-UWVGGRQHSA-N 2 0 224.308 0.515 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000648129285 384081024 /nfs/dbraw/zinc/08/10/24/384081024.db2.gz RJDZOLFWTRSUDC-SKDRFNHKSA-N 2 0 221.304 0.324 20 0 BCADRP CCOC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309495931 384099038 /nfs/dbraw/zinc/09/90/38/384099038.db2.gz KEFTYQPJHJWDCM-PHIMTYICSA-N 2 0 226.320 0.481 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000309497602 384099089 /nfs/dbraw/zinc/09/90/89/384099089.db2.gz UEROUTJWKLFEEV-OPRDCNLKSA-N 2 0 213.325 0.500 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)c1c[nH+]ccc1N ZINC000569487112 384111124 /nfs/dbraw/zinc/11/11/24/384111124.db2.gz BHSRGJRSGBYWBB-UHFFFAOYSA-N 2 0 236.319 0.551 20 0 BCADRP Cc1cnccc1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000091312267 384117485 /nfs/dbraw/zinc/11/74/85/384117485.db2.gz SOPIXYQWRLMLOR-JTQLQIEISA-N 2 0 235.287 0.707 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000648136537 384154877 /nfs/dbraw/zinc/15/48/77/384154877.db2.gz SHFPLTZDDXBIHS-GWOFURMSSA-N 2 0 225.336 0.241 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000648136536 384156053 /nfs/dbraw/zinc/15/60/53/384156053.db2.gz SHFPLTZDDXBIHS-DBIOUOCHSA-N 2 0 225.336 0.241 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCc1nccn1C ZINC000070854793 384138649 /nfs/dbraw/zinc/13/86/49/384138649.db2.gz QCXKBDUYDKDODN-NSHDSACASA-N 2 0 224.308 0.554 20 0 BCADRP C[C@@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCC[NH2+]C1 ZINC000648140897 384171646 /nfs/dbraw/zinc/17/16/46/384171646.db2.gz PGRLKNPKETVYJM-JBLDHEPKSA-N 2 0 243.326 0.192 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000648140104 384167166 /nfs/dbraw/zinc/16/71/66/384167166.db2.gz DDUVTPKHKUBPCV-NSHDSACASA-N 2 0 246.314 0.366 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000648141270 384170920 /nfs/dbraw/zinc/17/09/20/384170920.db2.gz XIVOOBUOSZDDTM-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080992983 384178736 /nfs/dbraw/zinc/17/87/36/384178736.db2.gz DLVLBQRQBGPMKK-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000310496853 384181969 /nfs/dbraw/zinc/18/19/69/384181969.db2.gz IJXAOPXEEQFZQJ-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP Cn1cncc1CC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000401878346 384191922 /nfs/dbraw/zinc/19/19/22/384191922.db2.gz OVTMSZAYDORFAI-LBPRGKRZSA-N 2 0 236.363 0.940 20 0 BCADRP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163259995 384195348 /nfs/dbraw/zinc/19/53/48/384195348.db2.gz BEEYTMJNBZCQHP-WOPDTQHZSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000237438293 384197685 /nfs/dbraw/zinc/19/76/85/384197685.db2.gz APQXCMJBLDLCJH-MNOVXSKESA-N 2 0 241.379 0.688 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000564937933 384199988 /nfs/dbraw/zinc/19/99/88/384199988.db2.gz QFTPAUSPVJGTOD-NRPADANISA-N 2 0 228.340 0.149 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000564937935 384200688 /nfs/dbraw/zinc/20/06/88/384200688.db2.gz QFTPAUSPVJGTOD-QXFUBDJGSA-N 2 0 228.340 0.149 20 0 BCADRP CCN(C)CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000132879490 384217662 /nfs/dbraw/zinc/21/76/62/384217662.db2.gz DIISHNBPYQUYBO-GHMZBOCLSA-N 2 0 200.326 0.953 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000644164360 384246545 /nfs/dbraw/zinc/24/65/45/384246545.db2.gz INLPXZLDGXNCKD-RKDXNWHRSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648144548 384264811 /nfs/dbraw/zinc/26/48/11/384264811.db2.gz PKHUNTLSEFVKSD-HBNTYKKESA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228546574 384273641 /nfs/dbraw/zinc/27/36/41/384273641.db2.gz CZAULXQRYHASPJ-WRWGMCAJSA-N 2 0 239.363 0.522 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000133182613 384275764 /nfs/dbraw/zinc/27/57/64/384275764.db2.gz RMELQXVZWRNRSO-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000168752962 384311956 /nfs/dbraw/zinc/31/19/56/384311956.db2.gz AJAIETYPBASZIS-RYUDHWBXSA-N 2 0 249.358 0.970 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000228600777 384288678 /nfs/dbraw/zinc/28/86/78/384288678.db2.gz RLLUATQNBUQLQX-YFKTTZPYSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370773200 384295927 /nfs/dbraw/zinc/29/59/27/384295927.db2.gz NAVSNAVGFMAKOW-YFKTTZPYSA-N 2 0 237.347 0.276 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000647506565 384297070 /nfs/dbraw/zinc/29/70/70/384297070.db2.gz RZLBQRHDAKBCBF-YVECIDJPSA-N 3 0 241.379 0.423 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)C1CCCC1 ZINC000333672928 384297215 /nfs/dbraw/zinc/29/72/15/384297215.db2.gz YNBOEOWEAQUYNT-VXGBXAGGSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248485041 384337769 /nfs/dbraw/zinc/33/77/69/384337769.db2.gz KKFZBKHDHSBDCG-SRVKXCTJSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224293229 384351102 /nfs/dbraw/zinc/35/11/02/384351102.db2.gz HQVBZERFBOSMGL-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224290259 384352075 /nfs/dbraw/zinc/35/20/75/384352075.db2.gz YDPMESOZXZCGDM-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP CCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174729504 384357080 /nfs/dbraw/zinc/35/70/80/384357080.db2.gz AKJNZBAUKRQUHX-UHFFFAOYSA-N 2 0 213.369 0.966 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000095088029 384361221 /nfs/dbraw/zinc/36/12/21/384361221.db2.gz FVRWHERUUPESLT-JTQLQIEISA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000357362095 384365434 /nfs/dbraw/zinc/36/54/34/384365434.db2.gz GUEIGGRAONEMEZ-VXGBXAGGSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648145426 384447839 /nfs/dbraw/zinc/44/78/39/384447839.db2.gz ROEUPIVLLDFJLA-AXTSPUMRSA-N 2 0 213.325 0.179 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000249018772 384457699 /nfs/dbraw/zinc/45/76/99/384457699.db2.gz KKKUIRQKPRMSLH-GUBZILKMSA-N 2 0 227.352 0.569 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H](CC[NH3+])C(F)F)CC[N@@H+]1C ZINC000648145976 384455741 /nfs/dbraw/zinc/45/57/41/384455741.db2.gz GZZBZLPHDZCPOF-HLTSFMKQSA-N 2 0 249.305 0.425 20 0 BCADRP CC(=O)NC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000647514614 384438052 /nfs/dbraw/zinc/43/80/52/384438052.db2.gz WQYWMLKXVYDKBY-CYBMUJFWSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000335653299 384439477 /nfs/dbraw/zinc/43/94/77/384439477.db2.gz GVVIIOTZNARLPU-LBPRGKRZSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCCC[NH+](CC)CC ZINC000036871325 384460003 /nfs/dbraw/zinc/46/00/03/384460003.db2.gz VBFADEJBCFDYDO-SNVBAGLBSA-N 2 0 215.341 0.572 20 0 BCADRP C[C@H](CNC(=O)C1([NH3+])CCC1)C[NH+]1CCCC1 ZINC000148254267 384462258 /nfs/dbraw/zinc/46/22/58/384462258.db2.gz XTTQKTHQEUBVBL-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000397317366 384473406 /nfs/dbraw/zinc/47/34/06/384473406.db2.gz LRPOOXYWNDYJPB-OUAUKWLOSA-N 2 0 227.352 0.380 20 0 BCADRP O=C(CCn1ccnc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000122372322 384478595 /nfs/dbraw/zinc/47/85/95/384478595.db2.gz CBOYJPOJKZFCAP-NEPJUHHUSA-N 2 0 248.330 0.626 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCCC[NH+](CC)CC ZINC000036871324 384458096 /nfs/dbraw/zinc/45/80/96/384458096.db2.gz VBFADEJBCFDYDO-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC(C)(C)CC[NH3+] ZINC000565601991 384510877 /nfs/dbraw/zinc/51/08/77/384510877.db2.gz AFNFONRVBZHJCN-MRVPVSSYSA-N 2 0 201.314 0.357 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000647335162 384517961 /nfs/dbraw/zinc/51/79/61/384517961.db2.gz AYTFDHNTCOOMMT-CYZMBNFOSA-N 2 0 242.363 0.720 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(N)=O)CC[N@@H+]1C ZINC000183639560 384544458 /nfs/dbraw/zinc/54/44/58/384544458.db2.gz KGAJNSNGQRRPAF-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H](C)[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000647523848 384559913 /nfs/dbraw/zinc/55/99/13/384559913.db2.gz MXDURJFMMJJZIK-UHTWSYAYSA-N 2 0 244.379 0.438 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000151353352 384568931 /nfs/dbraw/zinc/56/89/31/384568931.db2.gz MINJDEVOSGAWBF-SNVBAGLBSA-N 2 0 215.341 0.298 20 0 BCADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000517926059 384574234 /nfs/dbraw/zinc/57/42/34/384574234.db2.gz WPSFQRZHWHJSKE-FOGDFJRCSA-N 2 0 230.352 0.455 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000236764227 384574828 /nfs/dbraw/zinc/57/48/28/384574828.db2.gz ZHTJUDNPMLIVDL-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000236783792 384577706 /nfs/dbraw/zinc/57/77/06/384577706.db2.gz WGDRWWUYLKZHQC-UMNHJUIQSA-N 2 0 239.363 0.711 20 0 BCADRP C[C@@H]1C[NH+](CCN2CC[NH2+]CC2)C[C@H]1C ZINC000086010081 384587373 /nfs/dbraw/zinc/58/73/73/384587373.db2.gz LUIRVHQFRPNEGN-VXGBXAGGSA-N 2 0 211.353 0.479 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040624257 384589855 /nfs/dbraw/zinc/58/98/55/384589855.db2.gz QNVKRXAFSLDOOI-NEPJUHHUSA-N 2 0 241.379 0.816 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000258324955 384565877 /nfs/dbraw/zinc/56/58/77/384565877.db2.gz DLNYFYWTGWHIIM-QWRGUYRKSA-N 2 0 240.351 0.180 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)NC[C@H](C)[NH+](C)C ZINC000561208859 384567490 /nfs/dbraw/zinc/56/74/90/384567490.db2.gz VRFIDKHNPUIQDR-NSHDSACASA-N 2 0 244.383 0.624 20 0 BCADRP CC(=O)NCCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000309792109 384613100 /nfs/dbraw/zinc/61/31/00/384613100.db2.gz PKEMBASMOAHNAM-JQWIXIFHSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1C[NH3+] ZINC000643079576 384619120 /nfs/dbraw/zinc/61/91/20/384619120.db2.gz IQTXGGXZOXQELM-AAEUAGOBSA-N 2 0 249.358 0.802 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000309807259 384633996 /nfs/dbraw/zinc/63/39/96/384633996.db2.gz SMOHWOJCLLHUIW-NXEZZACHSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000309768531 384596246 /nfs/dbraw/zinc/59/62/46/384596246.db2.gz OEKOZYXROULGEI-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1C[C@H](C)C[N@H+]1CCN1CC[NH2+]CC1 ZINC000157872879 384599876 /nfs/dbraw/zinc/59/98/76/384599876.db2.gz TXXCPWOVVMIACV-NWDGAFQWSA-N 2 0 211.353 0.622 20 0 BCADRP CN(C)C(=O)CC[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638211 384670364 /nfs/dbraw/zinc/67/03/64/384670364.db2.gz NNHAQANBIVAWRT-UHFFFAOYSA-N 2 0 215.341 0.381 20 0 BCADRP CC[C@@H](C(=O)NCCCn1ccnc1)[NH+](C)C ZINC000124440822 384642052 /nfs/dbraw/zinc/64/20/52/384642052.db2.gz NRFZUALVPSVWIB-NSHDSACASA-N 2 0 238.335 0.730 20 0 BCADRP C[C@]1(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[NH2+]C1 ZINC000647534602 384645797 /nfs/dbraw/zinc/64/57/97/384645797.db2.gz ROYVXWHYHNHRCS-XQQFMLRXSA-N 2 0 223.364 0.670 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]([NH3+])C(C)(C)C ZINC000162625258 384657225 /nfs/dbraw/zinc/65/72/25/384657225.db2.gz ZQIXKEROJHNMTD-UWVGGRQHSA-N 2 0 229.368 0.816 20 0 BCADRP [NH3+]CCCN1C[C@H]([NH3+])Cc2ccccc21 ZINC000335358401 384660009 /nfs/dbraw/zinc/66/00/09/384660009.db2.gz PCIOKMUBQGHZFA-LLVKDONJSA-N 2 0 205.305 0.725 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000449601201 384677751 /nfs/dbraw/zinc/67/77/51/384677751.db2.gz QXPHOVZEIIAJJS-ZYHUDNBSSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000449601200 384677767 /nfs/dbraw/zinc/67/77/67/384677767.db2.gz QXPHOVZEIIAJJS-PWSUYJOCSA-N 2 0 241.379 0.866 20 0 BCADRP COC(=O)C[N@H+](C)CC1CC[NH2+]CC1 ZINC000086702774 384677932 /nfs/dbraw/zinc/67/79/32/384677932.db2.gz YRDKECOCKOCLPD-UHFFFAOYSA-N 2 0 200.282 0.091 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@H]1CCC[NH2+]C1 ZINC000647540159 384682498 /nfs/dbraw/zinc/68/24/98/384682498.db2.gz ZBUADLCSKAIRQY-WOPDTQHZSA-N 2 0 229.343 0.618 20 0 BCADRP Cc1cc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)nn1C ZINC000647542322 384706091 /nfs/dbraw/zinc/70/60/91/384706091.db2.gz TWKXAGGTIPLCHZ-YPMHNXCESA-N 2 0 234.347 0.912 20 0 BCADRP [NH3+]CCCCNC(=O)CCC1CC[NH2+]CC1 ZINC000050950342 384706187 /nfs/dbraw/zinc/70/61/87/384706187.db2.gz VNPBEBMMNJCPEW-UHFFFAOYSA-N 2 0 227.352 0.621 20 0 BCADRP Cn1cc(CCC[NH2+]CCC[NH+](C)C)cn1 ZINC000314067546 384776551 /nfs/dbraw/zinc/77/65/51/384776551.db2.gz ZFGGJCCVTZRQLF-UHFFFAOYSA-N 2 0 224.352 0.894 20 0 BCADRP C[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC000647546514 384730066 /nfs/dbraw/zinc/73/00/66/384730066.db2.gz NFZWMENQISMSLJ-ZGVCCVRISA-N 2 0 223.364 0.859 20 0 BCADRP C1[NH2+]C[C@@H]2C[C@H]([NH2+]C3CC[NH2+]CC3)CC[C@@H]12 ZINC000647546402 384730402 /nfs/dbraw/zinc/73/04/02/384730402.db2.gz IUAYSMIJXGCGLM-GMXVVIOVSA-N 3 0 223.364 0.716 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000054075523 384730527 /nfs/dbraw/zinc/73/05/27/384730527.db2.gz IYSCQBOITGSOAQ-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP NC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000647546227 384731612 /nfs/dbraw/zinc/73/16/12/384731612.db2.gz GBMZLJAFTWPZSD-LPWJVIDDSA-N 2 0 223.364 0.701 20 0 BCADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546140 384731703 /nfs/dbraw/zinc/73/17/03/384731703.db2.gz AMGFQMPPXOODSY-WUHRBBMRSA-N 3 0 225.380 0.947 20 0 BCADRP [NH3+][C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000647546821 384733405 /nfs/dbraw/zinc/73/34/05/384733405.db2.gz CTHGXLDBIANFRU-WUHRBBMRSA-N 3 0 223.364 0.701 20 0 BCADRP CC(C)([NH3+])C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546690 384733697 /nfs/dbraw/zinc/73/36/97/384733697.db2.gz VWSUORALJTVHJC-OUAUKWLOSA-N 3 0 211.353 0.701 20 0 BCADRP C1C[C@H]2CC(N[C@H]3CCC[NH2+]C3)C[C@@H]1[NH2+]2 ZINC000647546596 384734081 /nfs/dbraw/zinc/73/40/81/384734081.db2.gz RCYAZDAXWJSGOH-PSIUFMSWSA-N 2 0 209.337 0.611 20 0 BCADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546797 384734786 /nfs/dbraw/zinc/73/47/86/384734786.db2.gz BTIAGDVDDZHGRM-FVCCEPFGSA-N 3 0 225.380 0.962 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000647547129 384735831 /nfs/dbraw/zinc/73/58/31/384735831.db2.gz OJKANJPSDUKVAN-NNYUYHANSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000647547124 384736040 /nfs/dbraw/zinc/73/60/40/384736040.db2.gz OHRLHLDDSJWGNA-NNYUYHANSA-N 2 0 211.353 0.844 20 0 BCADRP CN(CC1CC[NH+](C)CC1)C(=O)C[NH+](C)C ZINC000104901196 384736460 /nfs/dbraw/zinc/73/64/60/384736460.db2.gz WYHAZZBXXUKAKQ-UHFFFAOYSA-N 2 0 227.352 0.348 20 0 BCADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647547397 384737102 /nfs/dbraw/zinc/73/71/02/384737102.db2.gz VBKSSLXSFUVILU-PREPNJAASA-N 3 0 211.353 0.700 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000647547122 384737506 /nfs/dbraw/zinc/73/75/06/384737506.db2.gz OHRLHLDDSJWGNA-FIQHERPVSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648185962 384740395 /nfs/dbraw/zinc/74/03/95/384740395.db2.gz KMBCZGRHGVYJMS-VHSXEESVSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@@]1(C(=O)N[C@@H](CC[NH3+])C(F)F)CCC[NH2+]1 ZINC000449621473 384743137 /nfs/dbraw/zinc/74/31/37/384743137.db2.gz HNUMXXCZJVXURZ-KWQFWETISA-N 2 0 249.305 0.617 20 0 BCADRP CC(C)N1CC[C@@H](N[C@@H]2C[NH2+]C[C@@H](C)C2)C1=O ZINC000647549795 384747460 /nfs/dbraw/zinc/74/74/60/384747460.db2.gz RABVJVMFTKLZOL-SDDRHHMPSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](NCCC[NH2+]C2CC2)C1 ZINC000647547919 384749947 /nfs/dbraw/zinc/74/99/47/384749947.db2.gz LIHQETLXYFTITM-CMPLNLGQSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H]1CNC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000647548076 384750392 /nfs/dbraw/zinc/75/03/92/384750392.db2.gz USRXDWRQKSGOIO-FIQHERPVSA-N 2 0 211.353 0.701 20 0 BCADRP [NH3+]CCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000107213586 384779785 /nfs/dbraw/zinc/77/97/85/384779785.db2.gz OXZXDVBXTHXENP-GFCCVEGCSA-N 2 0 211.353 0.753 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]([NH3+])c1ccccc1 ZINC000126670245 384819760 /nfs/dbraw/zinc/81/97/60/384819760.db2.gz BLYYWDKBJQXLNE-CYZMBNFOSA-N 2 0 247.342 0.801 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000648202459 384825339 /nfs/dbraw/zinc/82/53/39/384825339.db2.gz VBTXTXSNNXYTMZ-SNVBAGLBSA-N 2 0 247.342 0.902 20 0 BCADRP CC(C)([NH3+])CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000648201814 384826067 /nfs/dbraw/zinc/82/60/67/384826067.db2.gz WMAMMQXDNZNHEE-UHFFFAOYSA-N 2 0 235.331 0.889 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000104418490 384826941 /nfs/dbraw/zinc/82/69/41/384826941.db2.gz YWJVTTDCPQVGQL-STQMWFEESA-N 2 0 241.379 0.378 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000335600048 384782537 /nfs/dbraw/zinc/78/25/37/384782537.db2.gz FLBRPQSEKICQQT-VXGBXAGGSA-N 2 0 239.363 0.666 20 0 BCADRP CC[NH+](CC)CC(=O)NCC1CC[NH+](C)CC1 ZINC000101522311 384787394 /nfs/dbraw/zinc/78/73/94/384787394.db2.gz LVHUULWMYOYXLQ-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000648188094 384799541 /nfs/dbraw/zinc/79/95/41/384799541.db2.gz RIEIBJIRPLORJI-IWSPIJDZSA-N 2 0 215.341 0.602 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000648187952 384799774 /nfs/dbraw/zinc/79/97/74/384799774.db2.gz GJRLBAGUQXINQP-XHNCKOQMSA-N 2 0 201.314 0.212 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C1([NH3+])CCCC1 ZINC000648187915 384800530 /nfs/dbraw/zinc/80/05/30/384800530.db2.gz CGMXHSBJTAXIOJ-IUCAKERBSA-N 2 0 213.325 0.500 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648190310 384802330 /nfs/dbraw/zinc/80/23/30/384802330.db2.gz QJJAKLMTFQWDPW-CIUDSAMLSA-N 2 0 249.305 0.473 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000648190266 384803695 /nfs/dbraw/zinc/80/36/95/384803695.db2.gz LLPLFGJQJHDHEF-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648191167 384805973 /nfs/dbraw/zinc/80/59/73/384805973.db2.gz YIJSAHUOSVIUBU-UKKRHICBSA-N 2 0 227.352 0.569 20 0 BCADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[NH3+] ZINC000083903405 384811131 /nfs/dbraw/zinc/81/11/31/384811131.db2.gz XCQIESBPEWEMAO-UHFFFAOYSA-N 2 0 221.304 0.954 20 0 BCADRP [NH3+]CCC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648205718 384840445 /nfs/dbraw/zinc/84/04/45/384840445.db2.gz MDXBWNSZTKGZDU-SECBINFHSA-N 2 0 211.309 0.126 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648210251 384854357 /nfs/dbraw/zinc/85/43/57/384854357.db2.gz NQMSKZMDZLUOQB-NXEZZACHSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]CCCCC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648210599 384858976 /nfs/dbraw/zinc/85/89/76/384858976.db2.gz VWEHMOYFHHZMIH-LLVKDONJSA-N 2 0 239.363 0.906 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000557169157 384859859 /nfs/dbraw/zinc/85/98/59/384859859.db2.gz YKFYTSQDGMERNZ-WDEREUQCSA-N 2 0 227.352 0.489 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000370785953 384859918 /nfs/dbraw/zinc/85/99/18/384859918.db2.gz GYXQOJUKGHBONQ-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP CN(C(=O)[C@H]1[NH2+]CCCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000565765481 384957695 /nfs/dbraw/zinc/95/76/95/384957695.db2.gz QXZNKYMAZAYEMB-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC000564941433 384907221 /nfs/dbraw/zinc/90/72/21/384907221.db2.gz WXDYACRNCBUSIY-UHFFFAOYSA-N 2 0 229.368 0.831 20 0 BCADRP C[C@H]([NH3+])CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000251136041 384911951 /nfs/dbraw/zinc/91/19/51/384911951.db2.gz VIWAFOMDUAICHC-RYUDHWBXSA-N 2 0 211.353 0.894 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000156646085 384916797 /nfs/dbraw/zinc/91/67/97/384916797.db2.gz ZFKIVRKPWGZNRA-VXGBXAGGSA-N 2 0 241.379 0.770 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000187169666 384917790 /nfs/dbraw/zinc/91/77/90/384917790.db2.gz LZULERHCOCNUBR-MRVPVSSYSA-N 2 0 220.276 0.146 20 0 BCADRP C[C@H](O)C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000644561684 384959263 /nfs/dbraw/zinc/95/92/63/384959263.db2.gz DZQDKJRUHMHPKS-RYUDHWBXSA-N 2 0 241.379 0.125 20 0 BCADRP CC(C)(O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128054207 384923844 /nfs/dbraw/zinc/92/38/44/384923844.db2.gz XQMDIAPYVNXUII-GHMZBOCLSA-N 2 0 212.337 0.974 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000257362115 384923873 /nfs/dbraw/zinc/92/38/73/384923873.db2.gz AEXFFJPCAWSWDI-VLEAKVRGSA-N 2 0 223.320 0.077 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000647605613 384931815 /nfs/dbraw/zinc/93/18/15/384931815.db2.gz BEQQVWLURONNAP-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N(C)C1(C[NH3+])CCC1 ZINC000449687227 384938962 /nfs/dbraw/zinc/93/89/62/384938962.db2.gz OMLDIEMQKILYNW-JTQLQIEISA-N 2 0 227.352 0.557 20 0 BCADRP C[NH2+]CCCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000258815911 384939732 /nfs/dbraw/zinc/93/97/32/384939732.db2.gz TVMLZNHWYUETET-LBPRGKRZSA-N 3 0 213.369 0.870 20 0 BCADRP CCN(C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000310280992 384939846 /nfs/dbraw/zinc/93/98/46/384939846.db2.gz POHDBYPEHLQMCF-CHWSQXEVSA-N 2 0 242.363 0.552 20 0 BCADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(C)(C)C)CC1 ZINC000644527502 384940344 /nfs/dbraw/zinc/94/03/44/384940344.db2.gz JUTDRZPTEDWBET-GFCCVEGCSA-N 2 0 243.395 0.230 20 0 BCADRP CCN(C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000310280993 384940456 /nfs/dbraw/zinc/94/04/56/384940456.db2.gz POHDBYPEHLQMCF-OLZOCXBDSA-N 2 0 242.363 0.552 20 0 BCADRP Cc1ccccc1CNC[C@H]1C[NH2+]CCN1C ZINC000258824707 384941564 /nfs/dbraw/zinc/94/15/64/384941564.db2.gz CPKCVFVKWNMCON-CQSZACIVSA-N 2 0 233.359 0.988 20 0 BCADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1CCC[NH2+]CC1 ZINC000647615180 384966318 /nfs/dbraw/zinc/96/63/18/384966318.db2.gz OUCJONHSFVBALV-SECBINFHSA-N 2 0 247.289 0.053 20 0 BCADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](C)O)CC1 ZINC000644563037 384969633 /nfs/dbraw/zinc/96/96/33/384969633.db2.gz QMYVXHVTJSXJMY-CHWSQXEVSA-N 2 0 243.395 0.230 20 0 BCADRP C[C@@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C ZINC000644574352 384977010 /nfs/dbraw/zinc/97/70/10/384977010.db2.gz RYRCEPVKACOUDX-ZJUUUORDSA-N 2 0 202.342 0.933 20 0 BCADRP C[C@H](CC(=O)NCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000087973450 384987564 /nfs/dbraw/zinc/98/75/64/384987564.db2.gz ZQTFSXVAXXSZDP-ZJUUUORDSA-N 2 0 213.325 0.087 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]CC1CC[NH+](C)CC1 ZINC000129358107 384997440 /nfs/dbraw/zinc/99/74/40/384997440.db2.gz PQJVRLREEWYBHD-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH2+]C2(C)C)CC[N@@H+]1C ZINC000648148509 385000114 /nfs/dbraw/zinc/00/01/14/385000114.db2.gz LMYGSSXMJROWBQ-MXWKQRLJSA-N 2 0 239.363 0.583 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000226397749 385008550 /nfs/dbraw/zinc/00/85/50/385008550.db2.gz UCGFBFBULLNBMF-LLVKDONJSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000226399269 385008930 /nfs/dbraw/zinc/00/89/30/385008930.db2.gz ABJQLUIEUSCPPD-ONGXEEELSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[N@H+](C)C1CC1 ZINC000226399256 385009107 /nfs/dbraw/zinc/00/91/07/385009107.db2.gz ORXXPUXECONJMZ-MWLCHTKSSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000367648999 385012076 /nfs/dbraw/zinc/01/20/76/385012076.db2.gz ONUKFWIYNYYHQE-FOGDFJRCSA-N 2 0 225.336 0.311 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000156916105 385019667 /nfs/dbraw/zinc/01/96/67/385019667.db2.gz VZARLHDVIPQDNU-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP O[C@@H](C[NH2+][C@@H]1CCn2ccnc2C1)C(F)(F)F ZINC000644625776 385020317 /nfs/dbraw/zinc/02/03/17/385020317.db2.gz SCPBDUUYESZXPX-SFYZADRCSA-N 2 0 249.236 0.711 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCCC1CC[NH+](C)CC1 ZINC000187573495 384962182 /nfs/dbraw/zinc/96/21/82/384962182.db2.gz NSMQVURSUXATMF-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP O[C@@H](C[NH2+][C@H]1CCn2ccnc2C1)C(F)(F)F ZINC000644625777 385020982 /nfs/dbraw/zinc/02/09/82/385020982.db2.gz SCPBDUUYESZXPX-YUMQZZPRSA-N 2 0 249.236 0.711 20 0 BCADRP CCSCC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313334440 384964734 /nfs/dbraw/zinc/96/47/34/384964734.db2.gz GMNGCCBONSAJFO-JTQLQIEISA-N 2 0 218.366 0.789 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000037481302 385053669 /nfs/dbraw/zinc/05/36/69/385053669.db2.gz MCZAQVOSFOIWII-GFCCVEGCSA-N 2 0 227.352 0.668 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000037484947 385055172 /nfs/dbraw/zinc/05/51/72/385055172.db2.gz IIDFUFANGWLBQH-ZYHUDNBSSA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037485367 385056297 /nfs/dbraw/zinc/05/62/97/385056297.db2.gz NYGZQEJURMCWQC-ONGXEEELSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000646956090 385084059 /nfs/dbraw/zinc/08/40/59/385084059.db2.gz UXAZVVJOVHDIKY-UWVGGRQHSA-N 2 0 225.336 0.454 20 0 BCADRP COC[C@@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000164998638 385058166 /nfs/dbraw/zinc/05/81/66/385058166.db2.gz HGTLREZTLAPLCR-LLVKDONJSA-N 2 0 230.352 0.315 20 0 BCADRP Cc1cnn(CC[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000404787476 385061445 /nfs/dbraw/zinc/06/14/45/385061445.db2.gz PYGUMWIVCKBTSA-QWRGUYRKSA-N 2 0 222.336 0.907 20 0 BCADRP C[C@H](O)C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000644665534 385066870 /nfs/dbraw/zinc/06/68/70/385066870.db2.gz FPKNZENCLIKIPZ-JTQLQIEISA-N 2 0 200.326 0.831 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000646941368 385069944 /nfs/dbraw/zinc/06/99/44/385069944.db2.gz YMXAJBGGFIXGSS-RYUDHWBXSA-N 2 0 239.363 0.491 20 0 BCADRP C(C[N@@H+]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000051919457 385070120 /nfs/dbraw/zinc/07/01/20/385070120.db2.gz AGVALAQGYAASBY-GFCCVEGCSA-N 2 0 211.353 0.671 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000646931297 385075670 /nfs/dbraw/zinc/07/56/70/385075670.db2.gz ZXTORLXLPOOHKL-VXGBXAGGSA-N 2 0 239.363 0.491 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000300024663 385076608 /nfs/dbraw/zinc/07/66/08/385076608.db2.gz NBZHROQVAUYCBM-AXFHLTTASA-N 2 0 230.352 0.489 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)COC1CCC([NH3+])CC1 ZINC000646945444 385081743 /nfs/dbraw/zinc/08/17/43/385081743.db2.gz SCASVHYGTRQEQU-KPPDAEKUSA-N 2 0 243.351 0.126 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)COC1CCC([NH3+])CC1 ZINC000646945445 385082077 /nfs/dbraw/zinc/08/20/77/385082077.db2.gz SCASVHYGTRQEQU-WHXUTIOJSA-N 2 0 243.351 0.126 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000152246458 385028236 /nfs/dbraw/zinc/02/82/36/385028236.db2.gz HQUHQTXAZCJFIZ-CYBMUJFWSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H](CC(=O)NCC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000156981594 385030694 /nfs/dbraw/zinc/03/06/94/385030694.db2.gz NKBUXQDENUBBRI-RYUDHWBXSA-N 2 0 241.379 0.690 20 0 BCADRP C[C@H](CNC1=[NH+]CCCN1)C[NH+]1CCCC1 ZINC000340034661 385036650 /nfs/dbraw/zinc/03/66/50/385036650.db2.gz YILZZHYVJOVIHQ-LLVKDONJSA-N 2 0 224.352 0.657 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364138981 385043394 /nfs/dbraw/zinc/04/33/94/385043394.db2.gz ABAFKZVDXXEJGE-YPMHNXCESA-N 2 0 239.363 0.444 20 0 BCADRP Cc1cnn(CCN2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000310406170 385044068 /nfs/dbraw/zinc/04/40/68/385044068.db2.gz OFRCXLWAZYWEHF-OLZOCXBDSA-N 2 0 234.347 0.733 20 0 BCADRP Cc1cnn(CCN2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000310406172 385044179 /nfs/dbraw/zinc/04/41/79/385044179.db2.gz OFRCXLWAZYWEHF-STQMWFEESA-N 2 0 234.347 0.733 20 0 BCADRP C[NH2+]CCSCCN1CCO[C@@H](C)C1 ZINC000566183714 385045829 /nfs/dbraw/zinc/04/58/29/385045829.db2.gz UGRPESPLROGXPO-JTQLQIEISA-N 2 0 218.366 0.660 20 0 BCADRP CC[C@@H](O)C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000644632227 385046955 /nfs/dbraw/zinc/04/69/55/385046955.db2.gz DBOBDKKDWXQMTN-QWHCGFSZSA-N 2 0 244.379 0.848 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000646979381 385109205 /nfs/dbraw/zinc/10/92/05/385109205.db2.gz GIHAZFCKDOPUFG-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP Cn1cncc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310547292 385110691 /nfs/dbraw/zinc/11/06/91/385110691.db2.gz FCPODXHZSGIJOO-TXEJJXNPSA-N 3 0 234.347 0.852 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646985168 385110785 /nfs/dbraw/zinc/11/07/85/385110785.db2.gz RBPRHVJQTJQKFV-SRVKXCTJSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H]1CN(C(=O)C[NH2+]CC2CC2)CC[C@H]1[NH3+] ZINC000647015689 385141499 /nfs/dbraw/zinc/14/14/99/385141499.db2.gz XMPZMKYNNXHHTI-VXGBXAGGSA-N 2 0 239.363 0.572 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000359252653 385113696 /nfs/dbraw/zinc/11/36/96/385113696.db2.gz YLSZIIPEHLBGEA-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000647642455 385116630 /nfs/dbraw/zinc/11/66/30/385116630.db2.gz GEDIYSJLWLUGKA-ZYHUDNBSSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000646989803 385118608 /nfs/dbraw/zinc/11/86/08/385118608.db2.gz OVXQMYWPZOJUBR-QMMMGPOBSA-N 2 0 219.288 0.253 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000646988680 385119902 /nfs/dbraw/zinc/11/99/02/385119902.db2.gz XTRGNXVJPGGKPQ-WZRBSPASSA-N 2 0 237.347 0.244 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646988417 385120766 /nfs/dbraw/zinc/12/07/66/385120766.db2.gz PBPHBWOQKLNEDF-VHSXEESVSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@H]2CCC[NH2+]CC2)co1 ZINC000646988467 385121024 /nfs/dbraw/zinc/12/10/24/385121024.db2.gz QOPDQPPODCSGID-JTQLQIEISA-N 2 0 237.303 0.610 20 0 BCADRP Cn1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000310570655 385122908 /nfs/dbraw/zinc/12/29/08/385122908.db2.gz NWPVOXDVFGCIAX-BETUJISGSA-N 2 0 234.347 0.852 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000646995769 385123374 /nfs/dbraw/zinc/12/33/74/385123374.db2.gz PXYHOHRDCNTBIL-MNOVXSKESA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC(C)([NH3+])CC1 ZINC000646994015 385123692 /nfs/dbraw/zinc/12/36/92/385123692.db2.gz RUEOXKBXEVUIAY-JTQLQIEISA-N 2 0 227.352 0.700 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000646995768 385123887 /nfs/dbraw/zinc/12/38/87/385123887.db2.gz PXYHOHRDCNTBIL-GHMZBOCLSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC[NH2+]1 ZINC000647018267 385142735 /nfs/dbraw/zinc/14/27/35/385142735.db2.gz XXISXMFDCGHXAC-HNCHTBHHSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000310587435 385126631 /nfs/dbraw/zinc/12/66/31/385126631.db2.gz WLSYDGADJPTHFJ-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000646998092 385128368 /nfs/dbraw/zinc/12/83/68/385128368.db2.gz LGXNFZWKTPVBJH-NAKRPEOUSA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000646998227 385131203 /nfs/dbraw/zinc/13/12/03/385131203.db2.gz XDEOIXQATKPDOD-GJMOJQLCSA-N 2 0 235.278 0.355 20 0 BCADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C[NH3+] ZINC000246253060 385137156 /nfs/dbraw/zinc/13/71/56/385137156.db2.gz KBOGKBOGARESPI-MXWKQRLJSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000647001365 385137317 /nfs/dbraw/zinc/13/73/17/385137317.db2.gz ACTGEQGJINVTAA-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000647015196 385139367 /nfs/dbraw/zinc/13/93/67/385139367.db2.gz JQWKHMRUJRIPQR-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H]1CN(C(=O)C[NH2+]CC2CC2)CC[C@H]1[NH3+] ZINC000647015687 385139837 /nfs/dbraw/zinc/13/98/37/385139837.db2.gz XMPZMKYNNXHHTI-NWDGAFQWSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000647015194 385140210 /nfs/dbraw/zinc/14/02/10/385140210.db2.gz JQWKHMRUJRIPQR-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000647015195 385140656 /nfs/dbraw/zinc/14/06/56/385140656.db2.gz JQWKHMRUJRIPQR-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000246564661 385186490 /nfs/dbraw/zinc/18/64/90/385186490.db2.gz UOOUDDNTGMASSD-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])C2CCC2)CC[NH2+]1 ZINC000647018317 385143389 /nfs/dbraw/zinc/14/33/89/385143389.db2.gz BLQHRCMNLKQZRZ-DVVUODLYSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CC[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000647018130 385143413 /nfs/dbraw/zinc/14/34/13/385143413.db2.gz HPYKSXMTUYLQRL-UTUOFQBUSA-N 2 0 239.363 0.633 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647055065 385200180 /nfs/dbraw/zinc/20/01/80/385200180.db2.gz JNPDVQTURAHGIE-QWRGUYRKSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]([NH3+])CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000647022757 385155871 /nfs/dbraw/zinc/15/58/71/385155871.db2.gz DUJRJFCODSDYKX-GXSJLCMTSA-N 2 0 221.304 0.540 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647023016 385155922 /nfs/dbraw/zinc/15/59/22/385155922.db2.gz LSIVAXMIUNQUSD-DVVUODLYSA-N 2 0 225.336 0.086 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000647022786 385156093 /nfs/dbraw/zinc/15/60/93/385156093.db2.gz GFEGIYQBZKCYTO-DCAQKATOSA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000422612268 385158477 /nfs/dbraw/zinc/15/84/77/385158477.db2.gz UNLQTXSSQWUZPX-ZJUUUORDSA-N 2 0 242.367 0.683 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C1([NH3+])CCC1 ZINC000449129355 385160018 /nfs/dbraw/zinc/16/00/18/385160018.db2.gz BUFNWFDEPYNKKR-UHFFFAOYSA-N 2 0 213.325 0.502 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000647026433 385160080 /nfs/dbraw/zinc/16/00/80/385160080.db2.gz SYBPYDUWHRWLQN-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000647026809 385160604 /nfs/dbraw/zinc/16/06/04/385160604.db2.gz VYYNACVNESVQTN-ZYHUDNBSSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000647030257 385163688 /nfs/dbraw/zinc/16/36/88/385163688.db2.gz KLECYOLYRLCAGD-LLVKDONJSA-N 2 0 225.336 0.455 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000647030175 385163779 /nfs/dbraw/zinc/16/37/79/385163779.db2.gz GWSUIFHFHBDFDP-JQWIXIFHSA-N 2 0 227.352 0.557 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000566249615 385170513 /nfs/dbraw/zinc/17/05/13/385170513.db2.gz ZGYFGRPXYVLCOY-UTUOFQBUSA-N 2 0 237.347 0.339 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000566249378 385172038 /nfs/dbraw/zinc/17/20/38/385172038.db2.gz XCNSGLJVZNJBTF-NTZNESFSSA-N 2 0 239.363 0.572 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647055066 385201106 /nfs/dbraw/zinc/20/11/06/385201106.db2.gz JNPDVQTURAHGIE-WDEREUQCSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)CC[NH3+] ZINC000019266387 385179576 /nfs/dbraw/zinc/17/95/76/385179576.db2.gz PELTZVKVRKKXBO-UHFFFAOYSA-N 2 0 201.314 0.039 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000647067387 385210228 /nfs/dbraw/zinc/21/02/28/385210228.db2.gz IZDDQYOXPXKDEN-GUBZILKMSA-N 2 0 213.325 0.371 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647069006 385214760 /nfs/dbraw/zinc/21/47/60/385214760.db2.gz JXURGEXJGRAQQC-SDDRHHMPSA-N 2 0 239.363 0.476 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)CC1CC[NH2+]CC1 ZINC000647068817 385214983 /nfs/dbraw/zinc/21/49/83/385214983.db2.gz WNOSRVMTZJLQCP-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)CC1CC[NH2+]CC1 ZINC000647068814 385214997 /nfs/dbraw/zinc/21/49/97/385214997.db2.gz WNOSRVMTZJLQCP-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCn1ccnc1 ZINC000252714114 385222231 /nfs/dbraw/zinc/22/22/31/385222231.db2.gz RAIPGGPAACBXRA-NWDGAFQWSA-N 2 0 222.336 0.813 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726819 385223946 /nfs/dbraw/zinc/22/39/46/385223946.db2.gz BHRGUWZZGCNCMC-WPRPVWTQSA-N 2 0 211.309 0.077 20 0 BCADRP COC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000308862110 385231606 /nfs/dbraw/zinc/23/16/06/385231606.db2.gz APVGYGOWMKFFKF-AOOOYVTPSA-N 2 0 212.293 0.091 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000647073636 385231829 /nfs/dbraw/zinc/23/18/29/385231829.db2.gz ITAOFGDVZSOPQA-GARJFASQSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1[NH3+] ZINC000647085011 385246533 /nfs/dbraw/zinc/24/65/33/385246533.db2.gz AMIOQDOSRXIOPC-CHWFTXMASA-N 2 0 225.336 0.310 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C[C@@H]1C[NH3+] ZINC000647086842 385251284 /nfs/dbraw/zinc/25/12/84/385251284.db2.gz MVCSJZCOMXSISE-VWYCJHECSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)C[C@@H]1C[NH3+] ZINC000647086841 385251488 /nfs/dbraw/zinc/25/14/88/385251488.db2.gz MVCSJZCOMXSISE-OUAUKWLOSA-N 2 0 239.363 0.428 20 0 BCADRP [NH3+]C1(CC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCC1 ZINC000647058111 385203008 /nfs/dbraw/zinc/20/30/08/385203008.db2.gz NMBKCSOZXYPBIQ-IUCAKERBSA-N 2 0 229.299 0.074 20 0 BCADRP C[NH+](C)C[C@H](O)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157931636 385314237 /nfs/dbraw/zinc/31/42/37/385314237.db2.gz FHYHZIZHPBDJHO-JHJVBQTASA-N 2 0 241.379 0.125 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000167466700 385319069 /nfs/dbraw/zinc/31/90/69/385319069.db2.gz IATKBIPGRJJALH-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC[NH2+]C(C)(C)C2)CC[N@@H+]1C ZINC000648148791 385264798 /nfs/dbraw/zinc/26/47/98/385264798.db2.gz ICEUHMOVHMFBOS-GHMZBOCLSA-N 2 0 239.363 0.537 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000166641484 385267898 /nfs/dbraw/zinc/26/78/98/385267898.db2.gz FXPMQDUWIFDDCV-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647650202 385286064 /nfs/dbraw/zinc/28/60/64/385286064.db2.gz RPYZPAJDSSNRTR-PREPNJAASA-N 2 0 237.347 0.180 20 0 BCADRP C[NH+](C)CCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000367497537 385290478 /nfs/dbraw/zinc/29/04/78/385290478.db2.gz MCWCIFNRCUZIBW-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP C[NH2+][C@@H](C)Cc1noc(CC[C@@H]2CCC[NH2+]2)n1 ZINC000647142813 385295487 /nfs/dbraw/zinc/29/54/87/385295487.db2.gz IOXNGPFBZZSXPG-UWVGGRQHSA-N 2 0 238.335 0.905 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH2+]C1)C(C)C ZINC000167203846 385301936 /nfs/dbraw/zinc/30/19/36/385301936.db2.gz DAXBNQNQVBASEB-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000178826546 385332100 /nfs/dbraw/zinc/33/21/00/385332100.db2.gz ISLJZUGIEBXEOJ-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCC(CC[NH3+])CC1 ZINC000517035481 385337996 /nfs/dbraw/zinc/33/79/96/385337996.db2.gz KDJLUSAWDHMEDY-ZJUUUORDSA-N 2 0 242.367 0.493 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000165017659 385338873 /nfs/dbraw/zinc/33/88/73/385338873.db2.gz DLJZROFGXAQEDX-HBNTYKKESA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[N@H+](C)CC1 ZINC000165055176 385339433 /nfs/dbraw/zinc/33/94/33/385339433.db2.gz DWKBEMISORJQTD-UWVGGRQHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@H](C(=O)N1CC[NH2+]CC1)[C@@H]([NH3+])c1ccccc1 ZINC000131665370 385350962 /nfs/dbraw/zinc/35/09/62/385350962.db2.gz YPWKSPOXLZSHKL-WCQYABFASA-N 2 0 247.342 0.754 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000165153496 385356102 /nfs/dbraw/zinc/35/61/02/385356102.db2.gz GMOYIRSGNOWZFR-QWRGUYRKSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1cn[nH]c1 ZINC000309009025 385358805 /nfs/dbraw/zinc/35/88/05/385358805.db2.gz OHJNQYHJDQDRHQ-KOLCDFICSA-N 2 0 208.309 0.621 20 0 BCADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)/C=C/C[NH+](C)C ZINC000492344857 385360950 /nfs/dbraw/zinc/36/09/50/385360950.db2.gz WHLKPZLAEMLHSV-BYAJROORSA-N 2 0 239.363 0.655 20 0 BCADRP C[C@@H]([NH3+])CCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000178406004 385367102 /nfs/dbraw/zinc/36/71/02/385367102.db2.gz ZGLOSULHVLUMAJ-ZWNOBZJWSA-N 2 0 247.342 0.554 20 0 BCADRP CC[C@H](O)C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000309041743 385386977 /nfs/dbraw/zinc/38/69/77/385386977.db2.gz LPYPRLRBRDIPQP-ZMLRMANQSA-N 2 0 212.337 0.830 20 0 BCADRP CO[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000400151177 385327027 /nfs/dbraw/zinc/32/70/27/385327027.db2.gz QKQGKGQFUKMCMH-GRYCIOLGSA-N 2 0 210.321 0.563 20 0 BCADRP Cc1ccc([C@H](CNC(=O)C[NH3+])[NH+](C)C)cc1 ZINC000165627678 385405278 /nfs/dbraw/zinc/40/52/78/385405278.db2.gz XKBNZTAUOYVJMX-LBPRGKRZSA-N 2 0 235.331 0.673 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)/C=C/C[NH+](C)C ZINC000492648290 385412606 /nfs/dbraw/zinc/41/26/06/385412606.db2.gz NWDHDJUFNMADCQ-AATRIKPKSA-N 2 0 239.363 0.657 20 0 BCADRP C[NH+](C)C1(CNC(=O)CC[NH3+])CCCC1 ZINC000110374274 385413595 /nfs/dbraw/zinc/41/35/95/385413595.db2.gz VFXYCRUPVZZUDR-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)C[NH+](C)C)C[C@@H]1C[NH3+] ZINC000397254880 385415457 /nfs/dbraw/zinc/41/54/57/385415457.db2.gz QPOOXPMLEBXGGG-VWYCJHECSA-N 2 0 227.352 0.380 20 0 BCADRP CC(C)[C@@H](C(=O)N(C)CCC[NH3+])[C@@H](C)[NH3+] ZINC000644067292 385416491 /nfs/dbraw/zinc/41/64/91/385416491.db2.gz NTHGOSWWYUGQFZ-NXEZZACHSA-N 2 0 215.341 0.413 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000644068859 385417699 /nfs/dbraw/zinc/41/76/99/385417699.db2.gz UBGNIUAMOLZWGO-IUCAKERBSA-N 2 0 247.289 0.085 20 0 BCADRP [NH3+][C@@H](CC(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000178806622 385420354 /nfs/dbraw/zinc/42/03/54/385420354.db2.gz QBRLMMLIUSETGG-STQMWFEESA-N 2 0 247.342 0.945 20 0 BCADRP [NH3+]CC1(CC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000644081147 385426411 /nfs/dbraw/zinc/42/64/11/385426411.db2.gz OVDMZRGYPFQWFJ-SNVBAGLBSA-N 2 0 225.336 0.374 20 0 BCADRP O=C(N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@]12C[C@H]1CC[NH2+]2 ZINC000644076230 385421219 /nfs/dbraw/zinc/42/12/19/385421219.db2.gz LFGVTJBADRMHOI-DCQANWLSSA-N 2 0 235.331 0.091 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644088867 385440284 /nfs/dbraw/zinc/44/02/84/385440284.db2.gz BQMKFIBRADEMEX-UWVGGRQHSA-N 2 0 227.352 0.474 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000644089818 385441194 /nfs/dbraw/zinc/44/11/94/385441194.db2.gz NKDDZMNYBDDXSR-IUCAKERBSA-N 2 0 247.289 0.052 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)O)CC[N@@H+]1C ZINC000156296309 385444309 /nfs/dbraw/zinc/44/43/09/385444309.db2.gz JVTARRACACTBAJ-NXEZZACHSA-N 2 0 200.326 0.830 20 0 BCADRP O=C(C[NH2+]C1CC1)N(C1CC1)C1CC[NH2+]CC1 ZINC000644095348 385447273 /nfs/dbraw/zinc/44/72/73/385447273.db2.gz JABYZHDQTGQRNW-UHFFFAOYSA-N 2 0 237.347 0.481 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644096820 385456174 /nfs/dbraw/zinc/45/61/74/385456174.db2.gz XDDZRXGRWOWXBL-AXFHLTTASA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H](NC(=O)CC1(C[NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC000644082432 385428556 /nfs/dbraw/zinc/42/85/56/385428556.db2.gz TUXMWXNKJGGBBW-QWRGUYRKSA-N 2 0 239.363 0.620 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1C[NH2+]CCC1(F)F ZINC000644083135 385432764 /nfs/dbraw/zinc/43/27/64/385432764.db2.gz VFPNGFWYFDQCSK-BDAKNGLRSA-N 2 0 247.289 0.099 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@@H]1[NH2+]CC1(C)C)C1CC1 ZINC000644087815 385436432 /nfs/dbraw/zinc/43/64/32/385436432.db2.gz WJHSOVBEARKNMX-JOYOIKCWSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H](C[NH3+])C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000644086580 385437338 /nfs/dbraw/zinc/43/73/38/385437338.db2.gz BMNBMVMOZSEQBT-SECBINFHSA-N 2 0 233.315 0.866 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000518767613 385475541 /nfs/dbraw/zinc/47/55/41/385475541.db2.gz RVOHRRKZIIIBPE-ZJUUUORDSA-N 2 0 245.392 0.183 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2)C1CC1 ZINC000364599233 385478715 /nfs/dbraw/zinc/47/87/15/385478715.db2.gz KRRHFKJQYFCHDR-YPMHNXCESA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC2C[NH2+]C2)cc1 ZINC000644104918 385479613 /nfs/dbraw/zinc/47/96/13/385479613.db2.gz IIVVTXPKYGWNOH-SECBINFHSA-N 2 0 233.315 0.656 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000644107466 385480473 /nfs/dbraw/zinc/48/04/73/385480473.db2.gz POFWIEJTPNNTFW-GWCFXTLKSA-N 2 0 239.363 0.490 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000364574920 385481284 /nfs/dbraw/zinc/48/12/84/385481284.db2.gz AOMAGGNSRHWXOY-PWSUYJOCSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000644811871 385517367 /nfs/dbraw/zinc/51/73/67/385517367.db2.gz BHJGNUJXBTYKEZ-SRVKXCTJSA-N 2 0 237.347 0.101 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000257750168 385496819 /nfs/dbraw/zinc/49/68/19/385496819.db2.gz YJWXMQLMWYARJP-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCC(=O)NC2)CC1 ZINC000111016259 385497790 /nfs/dbraw/zinc/49/77/90/385497790.db2.gz CHGPNXNJJFLZJY-LBPRGKRZSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644126381 385504225 /nfs/dbraw/zinc/50/42/25/385504225.db2.gz QYARLXQICLEKNN-DBIOUOCHSA-N 2 0 239.363 0.487 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000644130362 385510410 /nfs/dbraw/zinc/51/04/10/385510410.db2.gz BQLGSYDNQSFZJH-JOYOIKCWSA-N 2 0 225.336 0.182 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000644132347 385513807 /nfs/dbraw/zinc/51/38/07/385513807.db2.gz QIHHTTUHFLYHQJ-MNOVXSKESA-N 2 0 239.363 0.633 20 0 BCADRP C[NH+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000302473219 385530840 /nfs/dbraw/zinc/53/08/40/385530840.db2.gz YIZWXKZCXMFDEO-QWHCGFSZSA-N 2 0 247.342 0.501 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000644145973 385536767 /nfs/dbraw/zinc/53/67/67/385536767.db2.gz WTJYQSIEVGXQAC-NXEZZACHSA-N 2 0 237.347 0.243 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000309351859 385544319 /nfs/dbraw/zinc/54/43/19/385544319.db2.gz NGVCLGCUWNVVQE-RYUDHWBXSA-N 2 0 228.336 0.021 20 0 BCADRP C[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000644139897 385524135 /nfs/dbraw/zinc/52/41/35/385524135.db2.gz RMUGUSYPHORBBQ-SECBINFHSA-N 2 0 249.314 0.702 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000309395673 385561364 /nfs/dbraw/zinc/56/13/64/385561364.db2.gz GOAVCWCDUJQHFK-RKDXNWHRSA-N 2 0 213.325 0.357 20 0 BCADRP CCn1ccnc1/C=C/C(=O)N1CCC([NH3+])CC1 ZINC000493388077 385571629 /nfs/dbraw/zinc/57/16/29/385571629.db2.gz NHMQDZTTXJZBDY-ONEGZZNKSA-N 2 0 248.330 0.866 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000054076298 385594484 /nfs/dbraw/zinc/59/44/84/385594484.db2.gz LOROCKGTIAERKX-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000647705825 385580402 /nfs/dbraw/zinc/58/04/02/385580402.db2.gz PLOOTWHRDADVNB-SNVBAGLBSA-N 2 0 227.352 0.844 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000309455642 385588203 /nfs/dbraw/zinc/58/82/03/385588203.db2.gz NPGSRABAVLCKOQ-IQJOONFLSA-N 2 0 211.309 0.064 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000309455640 385588429 /nfs/dbraw/zinc/58/84/29/385588429.db2.gz NPGSRABAVLCKOQ-ATZCPNFKSA-N 2 0 211.309 0.064 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000107891096 385590918 /nfs/dbraw/zinc/59/09/18/385590918.db2.gz FKQOKSXMQVYUAM-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@H]1CCC[NH2+]1 ZINC000414849165 385626394 /nfs/dbraw/zinc/62/63/94/385626394.db2.gz QWACZJDYBAKGON-UTUOFQBUSA-N 2 0 211.353 0.859 20 0 BCADRP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000644820555 385608117 /nfs/dbraw/zinc/60/81/17/385608117.db2.gz XPIXCAWIOGATKP-TUAOUCFPSA-N 2 0 237.347 0.243 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000337418086 385646293 /nfs/dbraw/zinc/64/62/93/385646293.db2.gz SLLYIOMEUFUXPE-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000228326230 385646951 /nfs/dbraw/zinc/64/69/51/385646951.db2.gz MKZKCWBJRMDKOU-IJLUTSLNSA-N 2 0 212.337 0.689 20 0 BCADRP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000228327573 385652017 /nfs/dbraw/zinc/65/20/17/385652017.db2.gz GFPXIWWRYGCJON-LNFKQOIKSA-N 2 0 232.393 0.816 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000309516002 385654768 /nfs/dbraw/zinc/65/47/68/385654768.db2.gz YSLKKOHQMIODIN-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP C[NH2+]C[C@@H](C)CNCC[NH2+]C(C)(C)C ZINC000414851569 385655763 /nfs/dbraw/zinc/65/57/63/385655763.db2.gz PLFVQBNUAXGSRG-SNVBAGLBSA-N 2 0 201.358 0.820 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH2+]CC2(C)C)C1 ZINC000259172794 385683684 /nfs/dbraw/zinc/68/36/84/385683684.db2.gz OEVPXENAGUGZAJ-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH2+]CC2(C)C)C1 ZINC000259172799 385684662 /nfs/dbraw/zinc/68/46/62/385684662.db2.gz OEVPXENAGUGZAJ-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647793420 385697993 /nfs/dbraw/zinc/69/79/93/385697993.db2.gz XKBDRKUBTFILPI-YVECIDJPSA-N 2 0 226.364 0.981 20 0 BCADRP CC[NH+](CC)CCNC(=O)NCC[NH+]1CCC1 ZINC000337625645 385734490 /nfs/dbraw/zinc/73/44/90/385734490.db2.gz VAFMRFIMEHADGA-UHFFFAOYSA-N 2 0 242.367 0.333 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H](C)CC[NH+](C)C ZINC000337623458 385734741 /nfs/dbraw/zinc/73/47/41/385734741.db2.gz IIYDHIIVPWKLOW-LLVKDONJSA-N 2 0 229.368 0.785 20 0 BCADRP CC[NH+](CC)CCC[NH2+][C@H](C)CC(=O)NC ZINC000309629782 385753594 /nfs/dbraw/zinc/75/35/94/385753594.db2.gz HLPKQPULZKLQFO-LLVKDONJSA-N 2 0 229.368 0.833 20 0 BCADRP C[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1cncs1 ZINC000309590024 385720621 /nfs/dbraw/zinc/72/06/21/385720621.db2.gz UNLDDVXFPZMMPI-KOLCDFICSA-N 2 0 241.360 0.860 20 0 BCADRP C1=C(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000647799654 385799918 /nfs/dbraw/zinc/79/99/18/385799918.db2.gz NSXRYYIWQIXDFU-BFHYXJOUSA-N 3 0 235.375 0.884 20 0 BCADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC[NH2+]CC1 ZINC000647799391 385800996 /nfs/dbraw/zinc/80/09/96/385800996.db2.gz DUCNDHMTTLSWSC-MGPQQGTHSA-N 3 0 237.391 0.964 20 0 BCADRP CC[NH2+]CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647799981 385802247 /nfs/dbraw/zinc/80/22/47/385802247.db2.gz VWWORJNWFXPBMW-JHJVBQTASA-N 3 0 225.380 0.964 20 0 BCADRP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647800077 385802514 /nfs/dbraw/zinc/80/25/14/385802514.db2.gz ZJRKDMAODROWND-NZEXEKPDSA-N 2 0 224.348 0.878 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C[NH2+]CC1CC1 ZINC000186868374 385805990 /nfs/dbraw/zinc/80/59/90/385805990.db2.gz JINWYWZHTFCXPW-ONGXEEELSA-N 2 0 225.336 0.100 20 0 BCADRP CC[C@]1(C(=O)NC[C@H](C)C[NH3+])CCC[NH2+]1 ZINC000336740562 385806476 /nfs/dbraw/zinc/80/64/76/385806476.db2.gz MKULPCRFDIIUBH-MWLCHTKSSA-N 2 0 213.325 0.230 20 0 BCADRP Cn1cnc(CCC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000647801384 385809490 /nfs/dbraw/zinc/80/94/90/385809490.db2.gz UJIUQCASSQZIOG-GHMZBOCLSA-N 2 0 237.351 0.465 20 0 BCADRP CC[NH2+][C@H](C)C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414952079 385824648 /nfs/dbraw/zinc/82/46/48/385824648.db2.gz HZSREWBUWFWHEI-UTUOFQBUSA-N 3 0 213.369 0.962 20 0 BCADRP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)C[NH3+])cc1 ZINC000261716230 385826374 /nfs/dbraw/zinc/82/63/74/385826374.db2.gz DWAUUUZDVITRLF-ZDUSSCGKSA-N 2 0 247.342 0.681 20 0 BCADRP C[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])C[C@H](C)[NH2+]1 ZINC000647803345 385837817 /nfs/dbraw/zinc/83/78/17/385837817.db2.gz XCEFZEXSBAKHEB-AOOOYVTPSA-N 2 0 227.352 0.713 20 0 BCADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C[NH3+])cc1 ZINC000262438406 385845688 /nfs/dbraw/zinc/84/56/88/385845688.db2.gz MPEWHDCKHQDTSE-LBPRGKRZSA-N 2 0 235.331 0.885 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000638115888 385852643 /nfs/dbraw/zinc/85/26/43/385852643.db2.gz KDWIDBORMNSULC-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP CCCn1cc(C[NH2+]C[C@@H](C)C[NH3+])cn1 ZINC000414871126 385853359 /nfs/dbraw/zinc/85/33/59/385853359.db2.gz CYPDYWXFSXWFNK-JTQLQIEISA-N 2 0 210.325 0.978 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000353197667 385792315 /nfs/dbraw/zinc/79/23/15/385792315.db2.gz YWVSMDAZFMWSOX-WDEREUQCSA-N 2 0 239.363 0.762 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000647841429 385890027 /nfs/dbraw/zinc/89/00/27/385890027.db2.gz SFWKLMRBVVSMBD-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)N(C)CC[NH3+])C[N@@H+]1C1CC1 ZINC000331747661 385891150 /nfs/dbraw/zinc/89/11/50/385891150.db2.gz DVTVZQKHCJHVFT-ZJUUUORDSA-N 2 0 240.351 0.212 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000647847593 385898825 /nfs/dbraw/zinc/89/88/25/385898825.db2.gz WRIQXGFYSRQBLY-BBBLOLIVSA-N 2 0 225.336 0.371 20 0 BCADRP COC(C)(C)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000340200709 385902977 /nfs/dbraw/zinc/90/29/77/385902977.db2.gz RDDJKOZQFVZQHE-NWDGAFQWSA-N 2 0 244.379 0.846 20 0 BCADRP Cn1ccc(CN2CCC[C@@H]2C[NH3+])cc1=O ZINC000647853451 385905000 /nfs/dbraw/zinc/90/50/00/385905000.db2.gz YXFQBTWCVYKBAV-LLVKDONJSA-N 2 0 221.304 0.308 20 0 BCADRP C[C@@]([NH3+])(C(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000262905994 385906387 /nfs/dbraw/zinc/90/63/87/385906387.db2.gz QEEACLDTDVPXDQ-JSGCOSHPSA-N 2 0 247.342 0.810 20 0 BCADRP C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000336721554 385911677 /nfs/dbraw/zinc/91/16/77/385911677.db2.gz DSROZCGHSRTCBS-NNYUYHANSA-N 2 0 212.337 0.830 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000294921770 385915914 /nfs/dbraw/zinc/91/59/14/385915914.db2.gz CQAHADXAWHFUIN-SNVBAGLBSA-N 2 0 220.276 0.131 20 0 BCADRP C[C@@H]1C[C@@H](N(C)C(=O)C2(C)C[NH2+]C2)CC[N@@H+]1C ZINC000335032298 385920984 /nfs/dbraw/zinc/92/09/84/385920984.db2.gz NQDWFLFNIQKKCO-MNOVXSKESA-N 2 0 239.363 0.537 20 0 BCADRP CC1CC[NH+](CC(=O)N(C)C2CC([NH3+])C2)CC1 ZINC000335038733 385930061 /nfs/dbraw/zinc/93/00/61/385930061.db2.gz OGRFVXMQRQCMEA-UHFFFAOYSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+][C@@H]1CCCN(CCc2cn[nH]c2)C1 ZINC000308975955 385925546 /nfs/dbraw/zinc/92/55/46/385925546.db2.gz BZSPJWJADTXBMK-LLVKDONJSA-N 2 0 208.309 0.636 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000335036411 385926345 /nfs/dbraw/zinc/92/63/45/385926345.db2.gz CPHYBQGFJMNEPA-LLVKDONJSA-N 2 0 237.347 0.435 20 0 BCADRP CC[C@H](Cn1cncn1)[NH2+]CCn1ccnc1C ZINC000340467303 385860557 /nfs/dbraw/zinc/86/05/57/385860557.db2.gz GPFBCLRSVMELQK-GFCCVEGCSA-N 2 0 248.334 0.851 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000647732618 385864209 /nfs/dbraw/zinc/86/42/09/385864209.db2.gz PRRQZTKYLNDHPO-IUCAKERBSA-N 2 0 247.289 0.038 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000262619229 385867090 /nfs/dbraw/zinc/86/70/90/385867090.db2.gz DPLJZESJWMSKKX-CHWSQXEVSA-N 2 0 247.342 0.863 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)N(C)[C@H]2CC[NH2+]C2)cc1 ZINC000262677409 385873307 /nfs/dbraw/zinc/87/33/07/385873307.db2.gz UQXGJMNJLGJVFS-QWHCGFSZSA-N 2 0 247.342 0.815 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]([NH3+])CC(F)F ZINC000647828194 385876443 /nfs/dbraw/zinc/87/64/43/385876443.db2.gz GDZLOGRYCUSSOS-XVKPBYJWSA-N 2 0 237.294 0.459 20 0 BCADRP CCCN(C(=O)[C@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000647767319 385880838 /nfs/dbraw/zinc/88/08/38/385880838.db2.gz CMURXDLCCPZFGX-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000335021135 385980931 /nfs/dbraw/zinc/98/09/31/385980931.db2.gz CGLUMENDNYUKPP-NEPJUHHUSA-N 2 0 225.380 0.916 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000295167345 385981386 /nfs/dbraw/zinc/98/13/86/385981386.db2.gz LBBWVXNLTHRHFD-CHWSQXEVSA-N 2 0 247.342 0.410 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000295192980 385988355 /nfs/dbraw/zinc/98/83/55/385988355.db2.gz ODEYBXVHDSLFTD-MFKMUULPSA-N 2 0 247.342 0.943 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000295185947 385989030 /nfs/dbraw/zinc/98/90/30/385989030.db2.gz IEVKSNIGUJNRNX-RYUDHWBXSA-N 2 0 235.331 0.410 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000335038765 385930708 /nfs/dbraw/zinc/93/07/08/385930708.db2.gz ORESXGTUQHTWAA-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]C1(CC(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000639019800 385932584 /nfs/dbraw/zinc/93/25/84/385932584.db2.gz IJTZRDYXCFGZGM-QWRGUYRKSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639019879 385932747 /nfs/dbraw/zinc/93/27/47/385932747.db2.gz CAWVOMIFBFMGIP-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000335040760 385933604 /nfs/dbraw/zinc/93/36/04/385933604.db2.gz ZRMGKMFMFZACOT-PWSUYJOCSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H](CO)[NH+](C)C/C=C/C[N@@H+](C)[C@H](C)CO ZINC000342087822 385936379 /nfs/dbraw/zinc/93/63/79/385936379.db2.gz RGCLWSRWKRKAIN-IEVRTODYSA-N 2 0 230.352 0.168 20 0 BCADRP C[C@H]1CN(CC[NH+]2CCC(C)([NH3+])CC2)CCO1 ZINC000647924120 385940856 /nfs/dbraw/zinc/94/08/56/385940856.db2.gz GXURDHOEQZMMGM-LBPRGKRZSA-N 2 0 241.379 0.520 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000335050002 385946465 /nfs/dbraw/zinc/94/64/65/385946465.db2.gz CDOPHDUHBBPXCZ-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](C)C[NH3+] ZINC000417443970 385948987 /nfs/dbraw/zinc/94/89/87/385948987.db2.gz BMBJOYOOTNGKMX-ZJUUUORDSA-N 2 0 230.356 0.363 20 0 BCADRP CO[C@@H](C)C[NH+]1CCN(c2nccn2C)CC1 ZINC000272933550 385952424 /nfs/dbraw/zinc/95/24/24/385952424.db2.gz KGLFKWDLPVHDKJ-NSHDSACASA-N 2 0 238.335 0.577 20 0 BCADRP C[C@@H](C[NH3+])C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000285724332 385958001 /nfs/dbraw/zinc/95/80/01/385958001.db2.gz FVOQCZODMPADRX-VIFPVBQESA-N 2 0 245.286 0.801 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000295072645 385960241 /nfs/dbraw/zinc/96/02/41/385960241.db2.gz HMWADAHRFQJFED-JFGNBEQYSA-N 2 0 235.331 0.786 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000366887007 385965658 /nfs/dbraw/zinc/96/56/58/385965658.db2.gz ZFBCJEXKMLMCJQ-VXGBXAGGSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000365236036 385968640 /nfs/dbraw/zinc/96/86/40/385968640.db2.gz AOZHMNGNKAVGTA-MRBYEJRBSA-N 2 0 237.347 0.243 20 0 BCADRP CC[NH+](CC)CCCN[C@H]1C(=O)NCC[C@@H]1C ZINC000338361068 385970897 /nfs/dbraw/zinc/97/08/97/385970897.db2.gz LNZUNADECHUEJH-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000647865885 385999859 /nfs/dbraw/zinc/99/98/59/385999859.db2.gz WKQPLVWQHMUOMR-YNEHKIRRSA-N 2 0 241.379 0.424 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000638574846 386000352 /nfs/dbraw/zinc/00/03/52/386000352.db2.gz VSHISISETWEZDU-HBNTYKKESA-N 2 0 239.363 0.631 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000295263896 386001701 /nfs/dbraw/zinc/00/17/01/386001701.db2.gz VCVAPQXICVNVJJ-KWQFWETISA-N 2 0 234.303 0.521 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000295285002 386004387 /nfs/dbraw/zinc/00/43/87/386004387.db2.gz WQBJQEJVVJESLW-DGCLKSJQSA-N 2 0 247.342 0.815 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000295293929 386009498 /nfs/dbraw/zinc/00/94/98/386009498.db2.gz UMUAUIUKQTXZOM-VXGBXAGGSA-N 2 0 235.331 0.848 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000295307724 386011183 /nfs/dbraw/zinc/01/11/83/386011183.db2.gz VTZFTWQJRYLIBZ-JQWIXIFHSA-N 2 0 235.331 0.848 20 0 BCADRP COC[C@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000345169925 386038133 /nfs/dbraw/zinc/03/81/33/386038133.db2.gz VPGIGPMKGSXAKF-LBPRGKRZSA-N 2 0 244.379 0.846 20 0 BCADRP C[C@H]1CC2(CN1C(=O)C[NH+](C)C)CC[NH2+]CC2 ZINC000335073945 386038483 /nfs/dbraw/zinc/03/84/83/386038483.db2.gz RTMMORUEBJKAKK-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCC[N@H+](CC)C(C)C ZINC000417466106 386040023 /nfs/dbraw/zinc/04/00/23/386040023.db2.gz UCUKMAPQFWBZJP-NSHDSACASA-N 2 0 244.383 0.753 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000237028691 259680601 /nfs/dbraw/zinc/68/06/01/259680601.db2.gz SPAZEBGFCGEXPP-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000295235816 385996754 /nfs/dbraw/zinc/99/67/54/385996754.db2.gz OKNKPSAPQFKYAN-WCQYABFASA-N 2 0 235.331 0.714 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000647870861 386101667 /nfs/dbraw/zinc/10/16/67/386101667.db2.gz HKOFBBXVQOCKJS-OUAUKWLOSA-N 2 0 227.352 0.556 20 0 BCADRP CN(C[C@H](O)C[N@H+](C)C[C@H]1CCOC1)C1CC1 ZINC000336729342 386104625 /nfs/dbraw/zinc/10/46/25/386104625.db2.gz XGJJXZXFRYMNDD-DGCLKSJQSA-N 2 0 242.363 0.410 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000019426993 386106082 /nfs/dbraw/zinc/10/60/82/386106082.db2.gz CXHGVOUMCNVUHY-GFCCVEGCSA-N 2 0 235.331 0.754 20 0 BCADRP O=C(NCC1C[NH2+]C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000334456253 386109500 /nfs/dbraw/zinc/10/95/00/386109500.db2.gz HCAJIQQYARXWTH-CYBMUJFWSA-N 2 0 245.326 0.037 20 0 BCADRP CCC[N@H+](CC)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414666407 386112443 /nfs/dbraw/zinc/11/24/43/386112443.db2.gz GFPAHBFWRAPFRP-GFCCVEGCSA-N 2 0 241.379 0.916 20 0 BCADRP CC[N@H+](CCNC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000417478705 386113405 /nfs/dbraw/zinc/11/34/05/386113405.db2.gz DRPLIJYZPBOFQV-UHFFFAOYSA-N 2 0 240.351 0.086 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000054342062 386121160 /nfs/dbraw/zinc/12/11/60/386121160.db2.gz XFJLBLFRNBUMGV-NWDGAFQWSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@@H]1CCN(C(=O)C2(C)C[NH2+]C2)C[C@H]1C[NH3+] ZINC000335073168 386065076 /nfs/dbraw/zinc/06/50/76/386065076.db2.gz HSURPNMNYXOXGW-NXEZZACHSA-N 2 0 225.336 0.039 20 0 BCADRP Cc1[nH]nc2ncc(C[NH2+]C[C@H](C)C[NH3+])cc12 ZINC000414885861 386067426 /nfs/dbraw/zinc/06/74/26/386067426.db2.gz XPNCEIBBBVRPMR-MRVPVSSYSA-N 2 0 233.319 0.951 20 0 BCADRP C[N@H+](CCn1ccnc1)[C@@H]1CCC[C@H]1O ZINC000286765769 386072111 /nfs/dbraw/zinc/07/21/11/386072111.db2.gz ZLZIFFZQOKJWGB-GHMZBOCLSA-N 2 0 209.293 0.728 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000310083674 386085729 /nfs/dbraw/zinc/08/57/29/386085729.db2.gz FKSUMFAVRIDKOA-JQWIXIFHSA-N 2 0 239.363 0.666 20 0 BCADRP COCC[NH2+]CCN[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000414892430 386149000 /nfs/dbraw/zinc/14/90/00/386149000.db2.gz XAXPTQDRQKJTHB-NEPJUHHUSA-N 2 0 229.368 0.343 20 0 BCADRP Cc1c[nH+]ccc1N1CCCO[C@@H](C[NH3+])C1 ZINC000313357944 259682275 /nfs/dbraw/zinc/68/22/75/259682275.db2.gz PNCFLRJWFDEROU-NSHDSACASA-N 2 0 221.304 0.944 20 0 BCADRP CCOC(=O)C[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414678701 386160599 /nfs/dbraw/zinc/16/05/99/386160599.db2.gz QVJZXZZVIPSHRN-QWRGUYRKSA-N 2 0 228.336 0.869 20 0 BCADRP C[C@@H]1C[C@H](CN[C@H]2C[NH2+]CCC2(F)F)CC[NH2+]1 ZINC000414993527 386166707 /nfs/dbraw/zinc/16/67/07/386166707.db2.gz CMRWTSRLUDEDPQ-MXWKQRLJSA-N 2 0 247.333 0.961 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCNC1 ZINC000414996189 386176057 /nfs/dbraw/zinc/17/60/57/386176057.db2.gz OGPQIMPIPWRKQB-SZQBSXBZSA-N 2 0 223.364 0.844 20 0 BCADRP CC[N@H+](CCNC(=O)N1CC[C@H]([NH3+])C1)C1CC1 ZINC000417484769 386130817 /nfs/dbraw/zinc/13/08/17/386130817.db2.gz LAOVPXONTIFJSJ-JTQLQIEISA-N 2 0 240.351 0.213 20 0 BCADRP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000414669911 386135865 /nfs/dbraw/zinc/13/58/65/386135865.db2.gz CFAMYIMCZJVKNB-SRVKXCTJSA-N 2 0 241.379 0.946 20 0 BCADRP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000414891742 386143467 /nfs/dbraw/zinc/14/34/67/386143467.db2.gz WWNDESOMUPWAEZ-WOPDTQHZSA-N 2 0 211.353 0.668 20 0 BCADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000414891741 386143934 /nfs/dbraw/zinc/14/39/34/386143934.db2.gz WWNDESOMUPWAEZ-UTUOFQBUSA-N 2 0 211.353 0.668 20 0 BCADRP CNC(=O)CCC[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414702313 386208362 /nfs/dbraw/zinc/20/83/62/386208362.db2.gz IHEPNAJIEUVLJO-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000647757295 386211760 /nfs/dbraw/zinc/21/17/60/386211760.db2.gz IVILNYMDDBRSGD-YJQGPUDQSA-N 2 0 237.347 0.038 20 0 BCADRP C[C@H]([NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000131945455 386227508 /nfs/dbraw/zinc/22/75/08/386227508.db2.gz YSBBRSPIBIXADL-JTQLQIEISA-N 2 0 227.352 0.762 20 0 BCADRP Cn1nnc2cc(C[N@@H+]3CC[C@@H](C[NH3+])C3)ccc21 ZINC000347125313 386237124 /nfs/dbraw/zinc/23/71/24/386237124.db2.gz YBGGUGSFIFMYFG-NSHDSACASA-N 2 0 245.330 0.749 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000288892824 386239860 /nfs/dbraw/zinc/23/98/60/386239860.db2.gz AXXSSNNQFCRLQZ-SCDSUCTJSA-N 2 0 247.342 0.809 20 0 BCADRP NC(=O)[C@H](c1ccccc1)[NH+]1CCC(C[NH3+])CC1 ZINC000430623684 386240596 /nfs/dbraw/zinc/24/05/96/386240596.db2.gz HRXGUEOKSLCPON-ZDUSSCGKSA-N 2 0 247.342 0.884 20 0 BCADRP COC(=O)[C@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000125302606 386245061 /nfs/dbraw/zinc/24/50/61/386245061.db2.gz DAZWARSXQLADLM-VIFPVBQESA-N 2 0 200.282 0.220 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638355279 386247818 /nfs/dbraw/zinc/24/78/18/386247818.db2.gz HGYLFCSUAOAOJD-VIFPVBQESA-N 2 0 211.309 0.278 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN([C@H]2COC[C@H]2O)C1 ZINC000340283112 386195999 /nfs/dbraw/zinc/19/59/99/386195999.db2.gz XBJBTDCHVGGZGF-SDDRHHMPSA-N 2 0 228.336 0.020 20 0 BCADRP c1cnn(CCN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000133262526 386289911 /nfs/dbraw/zinc/28/99/11/386289911.db2.gz VGEHAWJJAOHKCN-NEPJUHHUSA-N 2 0 220.320 0.709 20 0 BCADRP [NH3+]C[C@H](NC(=O)CCC1CC[NH2+]CC1)C1CC1 ZINC000237853619 259684777 /nfs/dbraw/zinc/68/47/77/259684777.db2.gz UFSFNNCSOPZMSH-LBPRGKRZSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000058119012 386294337 /nfs/dbraw/zinc/29/43/37/386294337.db2.gz XRPYVLUHSBRTHB-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000091392361 386297359 /nfs/dbraw/zinc/29/73/59/386297359.db2.gz MGFDRUGHJMCCMQ-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000414736937 386305073 /nfs/dbraw/zinc/30/50/73/386305073.db2.gz HZEGDHMXTYFQRM-GRYCIOLGSA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CC[C@H](C)C[C@H]1C(N)=O ZINC000414736948 386305553 /nfs/dbraw/zinc/30/55/53/386305553.db2.gz HZEGDHMXTYFQRM-SRVKXCTJSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@]1(C(=O)N2CCC[C@@H]([NH3+])C2)CCCC[NH2+]1 ZINC000180895002 386306340 /nfs/dbraw/zinc/30/63/40/386306340.db2.gz AAABEMVCFFTBGA-ZYHUDNBSSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@@]1(C(=O)NCC[C@H]2CC[NH2+]C2)CCCC[NH2+]1 ZINC000180897188 386306411 /nfs/dbraw/zinc/30/64/11/386306411.db2.gz CSBDGWHPHDGWQA-YPMHNXCESA-N 2 0 239.363 0.634 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430629166 386313665 /nfs/dbraw/zinc/31/36/65/386313665.db2.gz OGJPAKHRWYYCSS-MNOVXSKESA-N 2 0 241.379 0.864 20 0 BCADRP CC[NH2+]CCNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000417538671 386316230 /nfs/dbraw/zinc/31/62/30/386316230.db2.gz DPJBNLPMCOUEEG-SNVBAGLBSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000289124160 386262401 /nfs/dbraw/zinc/26/24/01/386262401.db2.gz DOFIWXXYXNUCLB-CABZTGNLSA-N 2 0 233.315 0.707 20 0 BCADRP C[C@@H](CNC(=O)NC(C)(C)C[NH3+])[N@H+](C)C1CC1 ZINC000417549306 386341805 /nfs/dbraw/zinc/34/18/05/386341805.db2.gz JNQRKRQKLMDBAL-VIFPVBQESA-N 2 0 242.367 0.506 20 0 BCADRP CC[N@H+](CC(=O)NCC[NH+](C)C1CC1)C1CC1 ZINC000343212186 386344566 /nfs/dbraw/zinc/34/45/66/386344566.db2.gz NDYIFPVUWYGRKC-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP CCC[NH2+]CCNC(=O)c1c[nH+]ccc1N ZINC000188285439 386344665 /nfs/dbraw/zinc/34/46/65/386344665.db2.gz OPQARDKROUPGLO-UHFFFAOYSA-N 2 0 222.292 0.393 20 0 BCADRP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000414746654 386346577 /nfs/dbraw/zinc/34/65/77/386346577.db2.gz SOYBQGUUBYMYGM-GRYCIOLGSA-N 2 0 214.353 0.920 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CCOC[C@H]1C1CC1 ZINC000647989169 386347102 /nfs/dbraw/zinc/34/71/02/386347102.db2.gz SPANULKKJRBMBW-PWSUYJOCSA-N 2 0 210.321 0.707 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000237982871 259685976 /nfs/dbraw/zinc/68/59/76/259685976.db2.gz NYMWPVVPDALXSL-MXWKQRLJSA-N 2 0 225.336 0.230 20 0 BCADRP CC1(C)CN(C[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000335268200 386349422 /nfs/dbraw/zinc/34/94/22/386349422.db2.gz DMJKSBLPKVILDJ-NSHDSACASA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H]1C[C@H]([N@H+](C)CCn2cncn2)CCN1C ZINC000336688279 386350858 /nfs/dbraw/zinc/35/08/58/386350858.db2.gz GZXZMSYRHMRLCB-VXGBXAGGSA-N 2 0 237.351 0.693 20 0 BCADRP C[C@H](CNC(=O)N[C@@H](C)C[NH3+])[N@H+](C)C1CC1 ZINC000417552220 386355422 /nfs/dbraw/zinc/35/54/22/386355422.db2.gz QCOKGDODENEEMZ-DTWKUNHWSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000417552221 386355800 /nfs/dbraw/zinc/35/58/00/386355800.db2.gz QCOKGDODENEEMZ-IUCAKERBSA-N 2 0 228.340 0.116 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000417552510 386358670 /nfs/dbraw/zinc/35/86/70/386358670.db2.gz RLORQQOLYMAAOS-ZJUUUORDSA-N 2 0 242.367 0.506 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000417552508 386359669 /nfs/dbraw/zinc/35/96/69/386359669.db2.gz RLORQQOLYMAAOS-UWVGGRQHSA-N 2 0 242.367 0.506 20 0 BCADRP CC1(C[NH2+]CC2CC[NH+](CCO)CC2)COC1 ZINC000347391917 386380132 /nfs/dbraw/zinc/38/01/32/386380132.db2.gz PWJPWMDIWHCYFN-UHFFFAOYSA-N 2 0 242.363 0.317 20 0 BCADRP C[C@H]([NH3+])C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335275724 386336506 /nfs/dbraw/zinc/33/65/06/386336506.db2.gz CUHODPOUFLMUKJ-WDEREUQCSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]1CC2(C[N@@H+]1CCC[NH3+])CC[NH2+]CC2 ZINC000335276511 386339424 /nfs/dbraw/zinc/33/94/24/386339424.db2.gz FDNNNYGCLQRXSO-LLVKDONJSA-N 3 0 211.353 0.799 20 0 BCADRP [NH3+]CCc1ccccc1C(=O)NCC1([NH3+])CCC1 ZINC000519417976 386437875 /nfs/dbraw/zinc/43/78/75/386437875.db2.gz XBXALTLJUGKLHJ-UHFFFAOYSA-N 2 0 247.342 0.799 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC[NH3+] ZINC000417043676 386438282 /nfs/dbraw/zinc/43/82/82/386438282.db2.gz XLSXBALKLNQTQV-SNVBAGLBSA-N 2 0 228.340 0.119 20 0 BCADRP CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCNC1=O ZINC000414767269 386440965 /nfs/dbraw/zinc/44/09/65/386440965.db2.gz SIAHNQMEDGSPOE-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]([NH2+]CCOCC[NH3+])c1ccccn1 ZINC000647992097 386441445 /nfs/dbraw/zinc/44/14/45/386441445.db2.gz FJKMGDKPIYNLBC-SNVBAGLBSA-N 2 0 209.293 0.708 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C1(C)C[NH2+]C1 ZINC000399188421 386443800 /nfs/dbraw/zinc/44/38/00/386443800.db2.gz HKDKVHLQNQIMPO-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP [NH3+][C@@H]1Cc2ccccc2N(C[C@H]2CC[NH2+]C2)C1 ZINC000647992455 386448416 /nfs/dbraw/zinc/44/84/16/386448416.db2.gz AVMXZKFSTZXVGN-WCQYABFASA-N 2 0 231.343 0.986 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000416831237 386392024 /nfs/dbraw/zinc/39/20/24/386392024.db2.gz SMPYCADFFNPVIL-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237610905 386396580 /nfs/dbraw/zinc/39/65/80/386396580.db2.gz ZZGFADAISFQVRE-ZYHUDNBSSA-N 2 0 235.331 0.882 20 0 BCADRP C[C@@]1(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[NH2+]C1 ZINC000415008951 386397504 /nfs/dbraw/zinc/39/75/04/386397504.db2.gz NMCJWAOFCZLYHQ-BFHYXJOUSA-N 3 0 237.391 0.964 20 0 BCADRP CC[NH+](CC)CCCNC(=O)NCCCC[NH3+] ZINC000416808231 386399510 /nfs/dbraw/zinc/39/95/10/386399510.db2.gz GWBHPSYSTPGJCX-UHFFFAOYSA-N 2 0 244.383 0.756 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCCC[NH+](CC)CC ZINC000416812960 386399690 /nfs/dbraw/zinc/39/96/90/386399690.db2.gz LSHNZDHIIYYPKM-LLVKDONJSA-N 2 0 244.383 0.755 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000417612689 386451438 /nfs/dbraw/zinc/45/14/38/386451438.db2.gz RNYIQQSAPIEWNL-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCOC1 ZINC000336776796 386403160 /nfs/dbraw/zinc/40/31/60/386403160.db2.gz GRQMVGDQRMAURF-LBPRGKRZSA-N 2 0 230.352 0.723 20 0 BCADRP [NH3+]CCOCCN1CC[NH+](C2CCCC2)CC1 ZINC000093232465 386405017 /nfs/dbraw/zinc/40/50/17/386405017.db2.gz MCBDZIRFJIBOSY-UHFFFAOYSA-N 2 0 241.379 0.522 20 0 BCADRP C[NH2+]CCNC(=O)NCCC[NH+]1CCCCC1 ZINC000416870938 386407872 /nfs/dbraw/zinc/40/78/72/386407872.db2.gz JHIPLGOGBNKSMM-UHFFFAOYSA-N 2 0 242.367 0.381 20 0 BCADRP C[C@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1[NH3+] ZINC000414760230 386413494 /nfs/dbraw/zinc/41/34/94/386413494.db2.gz GUUMQBUJJWONIS-QCNOEVLYSA-N 3 0 211.353 0.654 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000417134110 386451776 /nfs/dbraw/zinc/45/17/76/386451776.db2.gz IFCKSPWQCDFMBE-GARJFASQSA-N 2 0 240.351 0.260 20 0 BCADRP C[NH+]1CCC(NC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000134479105 386422170 /nfs/dbraw/zinc/42/21/70/386422170.db2.gz UYNJWPJEFFLTPT-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1C[C@@H](O)C[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414761510 386422585 /nfs/dbraw/zinc/42/25/85/386422585.db2.gz UABRMEYMDMUEAR-WRWGMCAJSA-N 2 0 212.337 0.830 20 0 BCADRP C[N@H+](CCO)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000336712911 386428845 /nfs/dbraw/zinc/42/88/45/386428845.db2.gz RYJWWSARINWKTN-GFCCVEGCSA-N 2 0 242.363 0.411 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000519398354 386429598 /nfs/dbraw/zinc/42/95/98/386429598.db2.gz SZKPECYVHWQJGQ-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@]1(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC[NH2+]C1 ZINC000414766226 386432837 /nfs/dbraw/zinc/43/28/37/386432837.db2.gz HGUSKSVSVUMTLE-HZSPNIEDSA-N 3 0 237.391 0.917 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)NCC[C@H](C)[NH3+] ZINC000417007823 386435067 /nfs/dbraw/zinc/43/50/67/386435067.db2.gz LFOJJLYCFCXOPS-WDEREUQCSA-N 2 0 244.383 0.753 20 0 BCADRP C[C@H](CNC(=O)NCC[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000417009698 386435263 /nfs/dbraw/zinc/43/52/63/386435263.db2.gz KOGPGJWXZHBBBY-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH2+]CC1 ZINC000417007849 386436111 /nfs/dbraw/zinc/43/61/11/386436111.db2.gz LJNPFYBRPNAEPF-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CC[NH2+]CC1 ZINC000366412916 386469783 /nfs/dbraw/zinc/46/97/83/386469783.db2.gz FWQWRUVPFIOEQC-RYUDHWBXSA-N 2 0 237.347 0.293 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414774746 386472238 /nfs/dbraw/zinc/47/22/38/386472238.db2.gz FWJXRFOGCQDXQF-RYUDHWBXSA-N 3 0 211.353 0.657 20 0 BCADRP C[N@H+](CC1CC[NH2+]CC1)C1(CN)CCC1 ZINC000414776776 386473979 /nfs/dbraw/zinc/47/39/79/386473979.db2.gz DEVKTNNRMKDTTR-UHFFFAOYSA-N 2 0 211.353 0.799 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[N@H+](C)C1CC1 ZINC000417632820 386479638 /nfs/dbraw/zinc/47/96/38/386479638.db2.gz XIWYZYKOGBENLU-IUCAKERBSA-N 2 0 228.340 0.116 20 0 BCADRP CC[C@H]1C[N@H+](CCC(=O)N(C)CC)CC[C@H]1[NH3+] ZINC000647934788 386480483 /nfs/dbraw/zinc/48/04/83/386480483.db2.gz QGNFYFJERRLDCQ-NWDGAFQWSA-N 2 0 241.379 0.914 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N[C@H](C)CC[NH+](C)C ZINC000417317089 386480809 /nfs/dbraw/zinc/48/08/09/386480809.db2.gz HLRXGDDYPARNOB-NXEZZACHSA-N 2 0 230.356 0.363 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH3+])C1)[C@@H](C)[NH3+] ZINC000519540709 386487431 /nfs/dbraw/zinc/48/74/31/386487431.db2.gz REVSTOMLAAZMNG-BBBLOLIVSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000335431459 386489429 /nfs/dbraw/zinc/48/94/29/386489429.db2.gz WNGOQHRPAWNUGK-MFKMUULPSA-N 2 0 247.342 0.666 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417319460 386494975 /nfs/dbraw/zinc/49/49/75/386494975.db2.gz NTHDKGSBUQSCCR-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000417317281 386496597 /nfs/dbraw/zinc/49/65/97/386496597.db2.gz ICOWSRCZZINCIQ-UWVGGRQHSA-N 2 0 230.356 0.363 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)NCC1([NH3+])CCC1 ZINC000417319835 386497180 /nfs/dbraw/zinc/49/71/80/386497180.db2.gz OINAKBMJWKTWGC-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000417321584 386497196 /nfs/dbraw/zinc/49/71/96/386497196.db2.gz TVFYTHPNIYYKGZ-QWRGUYRKSA-N 2 0 244.383 0.609 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@H](C)CC[NH+](C)C ZINC000417323507 386498190 /nfs/dbraw/zinc/49/81/90/386498190.db2.gz YIFAFDMYKBMFDC-OPRDCNLKSA-N 2 0 230.356 0.362 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335441523 386501036 /nfs/dbraw/zinc/50/10/36/386501036.db2.gz CYUKFOCBYNQVDA-VHSXEESVSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)C[C@H](CNC(=O)[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000062116053 386502243 /nfs/dbraw/zinc/50/22/43/386502243.db2.gz WSMVDXRKMRLILC-NWDGAFQWSA-N 2 0 241.379 0.688 20 0 BCADRP [NH3+][C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)C1CCC1 ZINC000519601096 386505921 /nfs/dbraw/zinc/50/59/21/386505921.db2.gz NGWZIHYIMRLKFZ-TUAOUCFPSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]1CN(C(=O)CCCC[NH3+])C[C@@]1(C)C[NH3+] ZINC000519601638 386506541 /nfs/dbraw/zinc/50/65/41/386506541.db2.gz QFJTXRRFIZEKAT-ZYHUDNBSSA-N 2 0 227.352 0.559 20 0 BCADRP C[C@@H]1CN([C@@H]2CCC[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000415049600 386506775 /nfs/dbraw/zinc/50/67/75/386506775.db2.gz DPXQJSZJUMFLOA-IJLUTSLNSA-N 2 0 211.353 0.655 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C[NH2+]C1CC1 ZINC000519634761 386511381 /nfs/dbraw/zinc/51/13/81/386511381.db2.gz MHXQOSAZMRAFES-LLVKDONJSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335446808 386512541 /nfs/dbraw/zinc/51/25/41/386512541.db2.gz SSCRAJNXHXRODN-QWRGUYRKSA-N 2 0 239.363 0.572 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335447635 386514045 /nfs/dbraw/zinc/51/40/45/386514045.db2.gz FLDCJWBPYRELAT-GFCCVEGCSA-N 3 0 225.380 0.964 20 0 BCADRP Cc1c[nH]nc1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000335447312 386514362 /nfs/dbraw/zinc/51/43/62/386514362.db2.gz DPQAQYJYHPDZBY-MNOVXSKESA-N 2 0 220.320 0.759 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC[C@H]1CCC[NH2+]C1 ZINC000335448781 386516907 /nfs/dbraw/zinc/51/69/07/386516907.db2.gz SFITWXSBEOKOCT-NWDGAFQWSA-N 2 0 225.380 0.964 20 0 BCADRP CC(C)([NH3+])CN[C@H]1C[NH2+]CCC1(F)F ZINC000335448818 386517721 /nfs/dbraw/zinc/51/77/21/386517721.db2.gz UURAYWBURKFRIM-ZETCQYMHSA-N 2 0 207.268 0.311 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000335448783 386517741 /nfs/dbraw/zinc/51/77/41/386517741.db2.gz SFITWXSBEOKOCT-VXGBXAGGSA-N 2 0 225.380 0.964 20 0 BCADRP CC1(C)[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]2CCO[C@@H]21 ZINC000415037287 386525229 /nfs/dbraw/zinc/52/52/29/386525229.db2.gz MVAGDSPGYVONFW-UFFGRJIKSA-N 2 0 222.332 0.607 20 0 BCADRP C1CC2(C1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)[C@@H]1CCO[C@H]12 ZINC000415040683 386526143 /nfs/dbraw/zinc/52/61/43/386526143.db2.gz QPIDGNBEBHVDEQ-LSUSWQKBSA-N 2 0 234.343 0.751 20 0 BCADRP C(C[NH2+]C[C@H]1CCCOC1)CN1CC[NH2+]CC1 ZINC000414786670 386526521 /nfs/dbraw/zinc/52/65/21/386526521.db2.gz XOJVXNIVKQFQRW-CYBMUJFWSA-N 2 0 241.379 0.298 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062861116 386528011 /nfs/dbraw/zinc/52/80/11/386528011.db2.gz PKDXVFMOQOOSDQ-GFCCVEGCSA-N 2 0 227.352 0.444 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@H+](C)CCOC ZINC000061380458 386455820 /nfs/dbraw/zinc/45/58/20/386455820.db2.gz ARFQBLDTNXMOJA-MNOVXSKESA-N 2 0 245.367 0.054 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000094647861 386466057 /nfs/dbraw/zinc/46/60/57/386466057.db2.gz MKBCRCGSFPBDHX-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP CN(C)c1nccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000414800762 386587520 /nfs/dbraw/zinc/58/75/20/386587520.db2.gz LICVCTLLOFHSEM-PWSUYJOCSA-N 2 0 249.362 0.760 20 0 BCADRP CNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978305 386594143 /nfs/dbraw/zinc/59/41/43/386594143.db2.gz PRECWGIKYQKSBE-VXGBXAGGSA-N 2 0 239.363 0.444 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062902993 386532702 /nfs/dbraw/zinc/53/27/02/386532702.db2.gz JAVSQQFHPPJADX-DGCLKSJQSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973336 386534084 /nfs/dbraw/zinc/53/40/84/386534084.db2.gz FPSSOXBMARVRQN-WDEREUQCSA-N 2 0 225.336 0.420 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062971982 386535148 /nfs/dbraw/zinc/53/51/48/386535148.db2.gz YABOFKWGGPVFSE-UWVGGRQHSA-N 2 0 245.392 0.229 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062972561 386536313 /nfs/dbraw/zinc/53/63/13/386536313.db2.gz BLAHZEGQBYVESY-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C([C@H]1CCC[NH2+]C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414789226 386537119 /nfs/dbraw/zinc/53/71/19/386537119.db2.gz YCNAUQZFVWNWRD-RWMBFGLXSA-N 2 0 223.364 0.670 20 0 BCADRP CC[C@@H](C)NC(=O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166120 386540823 /nfs/dbraw/zinc/54/08/23/386540823.db2.gz CGAJVFAMXNJOSA-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+]CCCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415058336 386542764 /nfs/dbraw/zinc/54/27/64/386542764.db2.gz VLMKRLAVQUIGKP-VXGBXAGGSA-N 3 0 211.353 0.799 20 0 BCADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](O)C1 ZINC000061708385 386545182 /nfs/dbraw/zinc/54/51/82/386545182.db2.gz JUYYVNBMQRTNNE-RYUDHWBXSA-N 2 0 212.337 0.927 20 0 BCADRP C[C@H](C[NH3+])NC(=O)c1ccc2c[nH+]cn2c1 ZINC000335461953 386545976 /nfs/dbraw/zinc/54/59/76/386545976.db2.gz GHZWOIZTZGPTFU-MRVPVSSYSA-N 2 0 218.260 0.411 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)CC[C@@H](C)[NH3+] ZINC000193321191 386546813 /nfs/dbraw/zinc/54/68/13/386546813.db2.gz HTNUVBOVCIWOMZ-LLVKDONJSA-N 2 0 229.368 0.962 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)CC[C@H](C)[NH3+] ZINC000193321201 386547705 /nfs/dbraw/zinc/54/77/05/386547705.db2.gz HTNUVBOVCIWOMZ-NSHDSACASA-N 2 0 229.368 0.962 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000519776872 386553516 /nfs/dbraw/zinc/55/35/16/386553516.db2.gz YZLVDWZVHGCAFA-GHMZBOCLSA-N 2 0 227.352 0.348 20 0 BCADRP C1C[NH2+][C@H]([C@H]2CCC[C@@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415052500 386553992 /nfs/dbraw/zinc/55/39/92/386553992.db2.gz CYCXECXCGNGSMT-BSOLPCOYSA-N 2 0 235.375 0.715 20 0 BCADRP CN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000237091086 386557289 /nfs/dbraw/zinc/55/72/89/386557289.db2.gz PLPLJRAZLCJFBF-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])CN1CCc2ccccc2[C@H]1C[NH3+] ZINC000335405054 386560502 /nfs/dbraw/zinc/56/05/02/386560502.db2.gz CATRXFYHMXUVQE-GXFFZTMASA-N 2 0 219.332 0.892 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000519826304 386564635 /nfs/dbraw/zinc/56/46/35/386564635.db2.gz QIBLTAMUTYPZNM-NSHDSACASA-N 2 0 241.379 0.879 20 0 BCADRP Cc1ncc(CNC2CC[NH+](C)CC2)n1C ZINC000519835398 386567528 /nfs/dbraw/zinc/56/75/28/386567528.db2.gz XVBIVNATVNSQHJ-UHFFFAOYSA-N 2 0 222.336 0.912 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903579 386569984 /nfs/dbraw/zinc/56/99/84/386569984.db2.gz MLVUMULLRUAJGS-CHWSQXEVSA-N 3 0 241.379 0.426 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000335409907 386570931 /nfs/dbraw/zinc/57/09/31/386570931.db2.gz QXTONCVAHVEWNB-NWDGAFQWSA-N 2 0 237.347 0.245 20 0 BCADRP C[NH2+]CCC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647906388 386625395 /nfs/dbraw/zinc/62/53/95/386625395.db2.gz ZTVJPRKWJCPKTJ-ZDUSSCGKSA-N 3 0 225.380 0.917 20 0 BCADRP [NH3+]CCCN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000415116459 386629941 /nfs/dbraw/zinc/62/99/41/386629941.db2.gz BGIQUKPSFSJQFB-QWHCGFSZSA-N 2 0 237.322 0.901 20 0 BCADRP C[NH2+]CCCN(C)C[C@@H]([NH3+])CC(C)C ZINC000415121944 386633171 /nfs/dbraw/zinc/63/31/71/386633171.db2.gz IWNIUOCBZQJYMV-NSHDSACASA-N 2 0 201.358 0.901 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C12CCC[NH+]1CCC2 ZINC000335506656 386639325 /nfs/dbraw/zinc/63/93/25/386639325.db2.gz CSWYXZUMMSOKHI-QWRGUYRKSA-N 2 0 237.347 0.563 20 0 BCADRP Cn1nncc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336758673 386646946 /nfs/dbraw/zinc/64/69/46/386646946.db2.gz ILZQAJRRVZINPG-UHFFFAOYSA-N 2 0 221.308 0.167 20 0 BCADRP CC[C@H]1C[N@H+](Cc2ccn(C)c(=O)c2)CC[C@H]1[NH3+] ZINC000647937767 386647698 /nfs/dbraw/zinc/64/76/98/386647698.db2.gz ATDXIXUVMQHJAT-QWHCGFSZSA-N 2 0 249.358 0.945 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[C@H](C)[NH3+] ZINC000520228408 386608906 /nfs/dbraw/zinc/60/89/06/386608906.db2.gz JTOPDQWOQYBGMN-GJMOJQLCSA-N 2 0 235.278 0.083 20 0 BCADRP [NH3+]C1(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000520231967 386610683 /nfs/dbraw/zinc/61/06/83/386610683.db2.gz LXWIMHVMXNFOEJ-UHFFFAOYSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000335495978 386618545 /nfs/dbraw/zinc/61/85/45/386618545.db2.gz OSOIXLXGPFUFPL-BDAKNGLRSA-N 2 0 213.325 0.086 20 0 BCADRP CC(C)C1CC([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000520393154 386660999 /nfs/dbraw/zinc/66/09/99/386660999.db2.gz HURVTTUHMNKZEM-UHFFFAOYSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000428122907 386663543 /nfs/dbraw/zinc/66/35/43/386663543.db2.gz DBEQHMQBWZQDAE-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)NCC1([NH3+])CCCCC1 ZINC000520404805 386666889 /nfs/dbraw/zinc/66/68/89/386666889.db2.gz TWMYADIZWXBUKK-QMMMGPOBSA-N 2 0 249.305 0.747 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000520404588 386667960 /nfs/dbraw/zinc/66/79/60/386667960.db2.gz BEQNJCIKCUVKTA-JTQLQIEISA-N 2 0 227.352 0.429 20 0 BCADRP C[C@@]1(F)C[NH2+]CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000335481937 386708998 /nfs/dbraw/zinc/70/89/98/386708998.db2.gz XYHWMNZEYHNVRM-NWDGAFQWSA-N 2 0 229.343 0.619 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000638506515 386709520 /nfs/dbraw/zinc/70/95/20/386709520.db2.gz WFIFVGDZEQUIJH-NQBHXWOUSA-N 2 0 249.358 0.387 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000638506514 386711228 /nfs/dbraw/zinc/71/12/28/386711228.db2.gz WFIFVGDZEQUIJH-LOWVWBTDSA-N 2 0 249.358 0.387 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000335471060 386692138 /nfs/dbraw/zinc/69/21/38/386692138.db2.gz BNEHBUZQAHTYEZ-JQWIXIFHSA-N 2 0 237.347 0.410 20 0 BCADRP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C[C@H](C)[NH3+] ZINC000335478238 386704543 /nfs/dbraw/zinc/70/45/43/386704543.db2.gz QXNKQSPHRKTEBP-WDEREUQCSA-N 2 0 227.352 0.522 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000335478606 386705474 /nfs/dbraw/zinc/70/54/74/386705474.db2.gz ILUQILZXKBNRAY-LLVKDONJSA-N 2 0 239.363 0.811 20 0 BCADRP CC[NH2+]CCNCc1ccc(-n2cncn2)cc1 ZINC000414836904 386730896 /nfs/dbraw/zinc/73/08/96/386730896.db2.gz WXNCEPVAAKKRNA-UHFFFAOYSA-N 2 0 245.330 0.966 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000357188540 386733570 /nfs/dbraw/zinc/73/35/70/386733570.db2.gz MIFDQNKOAZHPGF-GFCCVEGCSA-N 2 0 241.379 0.964 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000335485266 386715529 /nfs/dbraw/zinc/71/55/29/386715529.db2.gz CBBSNQVTQARQSS-NSHDSACASA-N 2 0 244.298 0.768 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000645100318 386716458 /nfs/dbraw/zinc/71/64/58/386716458.db2.gz GOJCQOFHKMCJKV-LLVKDONJSA-N 2 0 239.363 0.537 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000357105872 386718005 /nfs/dbraw/zinc/71/80/05/386718005.db2.gz ODVKJVCTHQCXLN-NSHDSACASA-N 3 0 238.335 0.564 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414832880 386719254 /nfs/dbraw/zinc/71/92/54/386719254.db2.gz FDRMUTSSOFNFIQ-SDDRHHMPSA-N 3 0 213.369 0.820 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000417786323 386720832 /nfs/dbraw/zinc/72/08/32/386720832.db2.gz QVKDUXQVPAAYFR-OUAUKWLOSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414832878 386720882 /nfs/dbraw/zinc/72/08/82/386720882.db2.gz FDRMUTSSOFNFIQ-QJPTWQEYSA-N 3 0 213.369 0.820 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000417785966 386720892 /nfs/dbraw/zinc/72/08/92/386720892.db2.gz QIJWFWWQWJCWME-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP CN(CCC[NH2+]CC1(F)CC1)CC[NH+](C)C ZINC000623087979 386723523 /nfs/dbraw/zinc/72/35/23/386723523.db2.gz RHCFCQOMUAGLDL-UHFFFAOYSA-N 2 0 231.359 0.962 20 0 BCADRP CC[N@@H+]1CC[C@H](NCC(F)(F)CN)[C@H](C)C1 ZINC000414928784 386724833 /nfs/dbraw/zinc/72/48/33/386724833.db2.gz MXHBCBJWVGUIMI-ZJUUUORDSA-N 2 0 235.322 0.900 20 0 BCADRP C[NH+](C)CC1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000044752168 386727403 /nfs/dbraw/zinc/72/74/03/386727403.db2.gz IDYAXMFDVRAWFO-UHFFFAOYSA-N 2 0 241.379 0.772 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CCCC3)C1 ZINC000357234101 386745672 /nfs/dbraw/zinc/74/56/72/386745672.db2.gz ARHFVUYKCLRNEN-WZRBSPASSA-N 2 0 237.347 0.326 20 0 BCADRP C[NH+](C)C/C=C/C(=O)NCC[N@H+]1CC=CCC1 ZINC000279913119 386755169 /nfs/dbraw/zinc/75/51/69/386755169.db2.gz FQWMGQWCDUUMNS-VOTSOKGWSA-N 2 0 237.347 0.482 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000417800893 386762982 /nfs/dbraw/zinc/76/29/82/386762982.db2.gz TXMHPXRZOCGYFH-DCAQKATOSA-N 2 0 227.352 0.346 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366537483 386770082 /nfs/dbraw/zinc/77/00/82/386770082.db2.gz YIYDBGYHPBAKIH-NWDGAFQWSA-N 2 0 244.404 0.738 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000357231468 386741816 /nfs/dbraw/zinc/74/18/16/386741816.db2.gz ZVQHVWYZJFMHDG-NTZNESFSSA-N 2 0 239.363 0.477 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000417829264 386789551 /nfs/dbraw/zinc/78/95/51/386789551.db2.gz GGBHUZDPYZJEPB-ZPFDUUQYSA-N 2 0 239.363 0.842 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000417811263 386790412 /nfs/dbraw/zinc/79/04/12/386790412.db2.gz JJRMIORAVYCJPL-WDEREUQCSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000417810885 386790988 /nfs/dbraw/zinc/79/09/88/386790988.db2.gz IZQUPTVJIHVSSF-RHYQMDGZSA-N 2 0 239.363 0.570 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417831668 386793126 /nfs/dbraw/zinc/79/31/26/386793126.db2.gz IFDVUPHNUFNRPP-LPEHRKFASA-N 2 0 213.325 0.452 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000417835779 386793868 /nfs/dbraw/zinc/79/38/68/386793868.db2.gz LHMZLWFIDIZCIJ-CKYFFXLPSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417834724 386794211 /nfs/dbraw/zinc/79/42/11/386794211.db2.gz NIMJSDWOEFWNDA-JTQLQIEISA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CC2(CC(N)=O)CC2)CC[N@@H+]1C ZINC000639273650 386775347 /nfs/dbraw/zinc/77/53/47/386775347.db2.gz TVBQVJPHHOHAPT-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CC2(CC(N)=O)CC2)CC[N@@H+]1C ZINC000639273648 386776177 /nfs/dbraw/zinc/77/61/77/386776177.db2.gz TVBQVJPHHOHAPT-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019488068 386777891 /nfs/dbraw/zinc/77/78/91/386777891.db2.gz QCAKRCUKYMGVKX-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@H]1C[NH3+] ZINC000417837321 386796429 /nfs/dbraw/zinc/79/64/29/386796429.db2.gz MDZDPBHWZUCWTH-HBNTYKKESA-N 2 0 241.379 0.803 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000417827550 386784074 /nfs/dbraw/zinc/78/40/74/386784074.db2.gz DIXBHSGDUPGZLB-RAIGVLPGSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417826269 386784225 /nfs/dbraw/zinc/78/42/25/386784225.db2.gz DFXMQSRLRFGYQR-KGYLQXTDSA-N 2 0 247.342 0.453 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000417827939 386785340 /nfs/dbraw/zinc/78/53/40/386785340.db2.gz DVNJQNJLXMSPRV-QJPTWQEYSA-N 2 0 241.379 0.818 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000417809662 386787539 /nfs/dbraw/zinc/78/75/39/386787539.db2.gz HDSPTRWATWHNGW-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417810496 386789350 /nfs/dbraw/zinc/78/93/50/386789350.db2.gz INLIHNXYXHVFOI-VHSXEESVSA-N 2 0 227.352 0.476 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000417837160 386797911 /nfs/dbraw/zinc/79/79/11/386797911.db2.gz XLYANVNXFKMXNN-MXWKQRLJSA-N 2 0 227.352 0.489 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@@H](CC[NH3+])C(F)F)C1 ZINC000417852286 386802667 /nfs/dbraw/zinc/80/26/67/386802667.db2.gz NYIFQBVVTPANSU-HRDYMLBCSA-N 2 0 249.305 0.473 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000417851848 386802858 /nfs/dbraw/zinc/80/28/58/386802858.db2.gz YQVHYROPROIZNZ-NQBHXWOUSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)[C@H](C)[NH3+] ZINC000417857625 386804734 /nfs/dbraw/zinc/80/47/34/386804734.db2.gz UEJLKGVUHLLZJJ-RGOKHQFPSA-N 2 0 213.325 0.226 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000417996243 386804747 /nfs/dbraw/zinc/80/47/47/386804747.db2.gz DRMRMYSUFVAWLO-WDEREUQCSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000417846046 386804876 /nfs/dbraw/zinc/80/48/76/386804876.db2.gz TVRLAPHLYGQFSS-DLOVCJGASA-N 2 0 233.315 0.635 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417846232 386805519 /nfs/dbraw/zinc/80/55/19/386805519.db2.gz YJNIEIBWBVEGAR-NSHDSACASA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417859256 386805744 /nfs/dbraw/zinc/80/57/44/386805744.db2.gz VXPASFQRDMKGIO-LPEHRKFASA-N 2 0 227.352 0.617 20 0 BCADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)O)C1 ZINC000192988528 386807357 /nfs/dbraw/zinc/80/73/57/386807357.db2.gz JBYBXOCSRLLDNZ-MNOVXSKESA-N 2 0 200.326 0.641 20 0 BCADRP C[NH2+]CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000417850135 386807774 /nfs/dbraw/zinc/80/77/74/386807774.db2.gz XJFCBRPTZVETGJ-CYBMUJFWSA-N 2 0 247.342 0.769 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000417849939 386807848 /nfs/dbraw/zinc/80/78/48/386807848.db2.gz WVQOYZMUBYLSIT-YFKTTZPYSA-N 2 0 241.379 0.803 20 0 BCADRP [NH3+]CCCCC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638970798 386840182 /nfs/dbraw/zinc/84/01/82/386840182.db2.gz WSMQATJVKHXWMU-XYPYZODXSA-N 2 0 227.352 0.749 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645181677 386846107 /nfs/dbraw/zinc/84/61/07/386846107.db2.gz ONCDEAMATOCOPZ-JTQLQIEISA-N 2 0 241.379 0.688 20 0 BCADRP C[C@@H]1[C@H](NC(=O)NCCC[NH3+])CCC[N@@H+]1C ZINC000418004221 386847802 /nfs/dbraw/zinc/84/78/02/386847802.db2.gz NXLOJYNCPFRLIR-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000367285216 386849980 /nfs/dbraw/zinc/84/99/80/386849980.db2.gz CCYOVYZXHLGNCA-GMXVVIOVSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000418005063 386855228 /nfs/dbraw/zinc/85/52/28/386855228.db2.gz OYYAFTFSVZBKEY-OUAUKWLOSA-N 2 0 242.367 0.506 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000334839595 386882827 /nfs/dbraw/zinc/88/28/27/386882827.db2.gz NLVFJQSAWCSDQC-HCWSGVFWSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1[C@H](NC(=O)N(C)CC[NH3+])CCC[N@@H+]1C ZINC000418009645 386885330 /nfs/dbraw/zinc/88/53/30/386885330.db2.gz UYIWQYBNIRAZBR-NXEZZACHSA-N 2 0 228.340 0.069 20 0 BCADRP FC1(F)CC[NH2+]C[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000334844026 386890486 /nfs/dbraw/zinc/89/04/86/386890486.db2.gz BURSQSGVYIIHMJ-NXEZZACHSA-N 2 0 233.306 0.573 20 0 BCADRP C([NH2+][C@@H]1CCCSC1)[C@H]1C[NH2+]CCCO1 ZINC000334873975 386934135 /nfs/dbraw/zinc/93/41/35/386934135.db2.gz MFEYPMOCYDHOFW-GHMZBOCLSA-N 2 0 230.377 0.850 20 0 BCADRP CC(C)([NH3+])CCC(=O)NCC1=CC[NH2+]CC1 ZINC000648110992 386936536 /nfs/dbraw/zinc/93/65/36/386936536.db2.gz DIPIAEMOBBKBKZ-UHFFFAOYSA-N 2 0 225.336 0.540 20 0 BCADRP C[NH+](C)CCOCC[NH2+]CC1(O)CCC1 ZINC000582176157 386937956 /nfs/dbraw/zinc/93/79/56/386937956.db2.gz FFZBANSDHMJATA-UHFFFAOYSA-N 2 0 216.325 0.069 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000368101961 386939787 /nfs/dbraw/zinc/93/97/87/386939787.db2.gz MABOMGMOGFIVDD-VXGBXAGGSA-N 2 0 239.363 0.393 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[NH+](C)CC2)C1 ZINC000334930798 387007039 /nfs/dbraw/zinc/00/70/39/387007039.db2.gz OAMMFRTZXWFPGA-LLVKDONJSA-N 2 0 225.336 0.102 20 0 BCADRP C[C@H](CCNC(=O)NCC[NH3+])[NH+]1CCCCC1 ZINC000418017951 386953469 /nfs/dbraw/zinc/95/34/69/386953469.db2.gz HZVZBBYHBQZAMX-LLVKDONJSA-N 2 0 242.367 0.509 20 0 BCADRP C[C@]([NH3+])(C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000368364734 386965055 /nfs/dbraw/zinc/96/50/55/386965055.db2.gz XAQJFMOSURABRS-OWTLIXCDSA-N 2 0 245.326 0.195 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000368453512 386972921 /nfs/dbraw/zinc/97/29/21/386972921.db2.gz KPUSQIHRWAEXBN-GXSJLCMTSA-N 2 0 231.315 0.144 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000368451898 386974617 /nfs/dbraw/zinc/97/46/17/386974617.db2.gz VVCWVGDGKQDSRZ-NHCYSSNCSA-N 2 0 243.326 0.416 20 0 BCADRP COCC[N@H+](C)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395198306 386982160 /nfs/dbraw/zinc/98/21/60/386982160.db2.gz UFKRWCVDNSLWKG-OLZOCXBDSA-N 2 0 243.395 0.685 20 0 BCADRP C[C@H](C[NH2+][C@@H](C)CC(N)=O)C[NH+]1CCCCC1 ZINC000341888825 386983784 /nfs/dbraw/zinc/98/37/84/386983784.db2.gz NGXAERZNAXLGEZ-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(N)=O)C1 ZINC000341906116 386987492 /nfs/dbraw/zinc/98/74/92/386987492.db2.gz WTKKQLKHCXIXRH-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+][C@@H](C(=O)NC[C@@H]1CCCC[NH2+]1)C1CCC1 ZINC000643426055 386996687 /nfs/dbraw/zinc/99/66/87/386996687.db2.gz XJJHSXQKIOSLCX-WDEREUQCSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000334920898 386997071 /nfs/dbraw/zinc/99/70/71/386997071.db2.gz BOFFHYPHPRCRNU-WDEREUQCSA-N 2 0 240.351 0.084 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368648966 387000385 /nfs/dbraw/zinc/00/03/85/387000385.db2.gz YWWYPDLQLVPNFT-UWVGGRQHSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000334928610 387003852 /nfs/dbraw/zinc/00/38/52/387003852.db2.gz CABKOTHBRIUXRB-NSHDSACASA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000104444677 387005161 /nfs/dbraw/zinc/00/51/61/387005161.db2.gz YAZJZORKRNRJDS-SNVBAGLBSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368210775 386950489 /nfs/dbraw/zinc/95/04/89/386950489.db2.gz DKIGZAZMDUSVOX-MXWKQRLJSA-N 2 0 237.347 0.372 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000334953651 387030059 /nfs/dbraw/zinc/03/00/59/387030059.db2.gz SNSRZQIKVRHTDA-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP C[NH+](C)C1(CNC(=O)N2CC[C@@H]([NH3+])C2)CCC1 ZINC000334952775 387030467 /nfs/dbraw/zinc/03/04/67/387030467.db2.gz PPMJPWWXQYBDCB-SNVBAGLBSA-N 2 0 240.351 0.213 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)C1CC1 ZINC000369168855 387031312 /nfs/dbraw/zinc/03/13/12/387031312.db2.gz WCJNEFQHKIXRST-NTZNESFSSA-N 2 0 237.347 0.230 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000398997403 387037001 /nfs/dbraw/zinc/03/70/01/387037001.db2.gz ATLMNCJNGOLPSY-LLVKDONJSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]([NH3+])C1CCC1)[N@H+](C)C1CC1 ZINC000398996791 387038033 /nfs/dbraw/zinc/03/80/33/387038033.db2.gz PXYWFGSBMVYGOP-CABZTGNLSA-N 2 0 239.363 0.713 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399002979 387039710 /nfs/dbraw/zinc/03/97/10/387039710.db2.gz UNPCSBYJPIQQGV-RYUDHWBXSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C[NH2+]CC1CC1 ZINC000359205719 387066695 /nfs/dbraw/zinc/06/66/95/387066695.db2.gz XMYCHKRHWNEHCW-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000334960704 387041290 /nfs/dbraw/zinc/04/12/90/387041290.db2.gz XFGGIWQHQNKIED-VXGBXAGGSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]1CCN(C(=O)C2([NH3+])CCCC2)C[C@H]1C[NH3+] ZINC000334962200 387042512 /nfs/dbraw/zinc/04/25/12/387042512.db2.gz RIVYRQNRAKFRDU-WDEREUQCSA-N 2 0 239.363 0.701 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000334962275 387042532 /nfs/dbraw/zinc/04/25/32/387042532.db2.gz URYYUBQEKQYESQ-STQMWFEESA-N 2 0 247.342 0.897 20 0 BCADRP C[C@H]1CCN(C(=O)C2([NH3+])CCCC2)C[C@@H]1C[NH3+] ZINC000334962199 387042830 /nfs/dbraw/zinc/04/28/30/387042830.db2.gz RIVYRQNRAKFRDU-QWRGUYRKSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074252 387042903 /nfs/dbraw/zinc/04/29/03/387042903.db2.gz QLLQRKGMXHVZMR-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)CCC[NH2+]C ZINC000359216564 387066740 /nfs/dbraw/zinc/06/67/40/387066740.db2.gz NJZRHOCGFRZEKL-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000333600300 387045569 /nfs/dbraw/zinc/04/55/69/387045569.db2.gz QHPPHXHZVMXITO-IJLUTSLNSA-N 3 0 211.353 0.846 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648107885 387049278 /nfs/dbraw/zinc/04/92/78/387049278.db2.gz ZDCBBJUAIJLDGW-IVZWLZJFSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333671650 387049503 /nfs/dbraw/zinc/04/95/03/387049503.db2.gz NEWPSBZRCUOQIE-AXFHLTTASA-N 2 0 240.351 0.260 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000648107860 387049994 /nfs/dbraw/zinc/04/99/94/387049994.db2.gz WKXBFRBHBWXVRI-WISYIIOYSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000648107799 387050502 /nfs/dbraw/zinc/05/05/02/387050502.db2.gz PSEYPGBKYJDIRI-UWVGGRQHSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@H]1CN(C(=O)CCC(C)(C)[NH3+])[C@@H](C)C[NH2+]1 ZINC000648107966 387052084 /nfs/dbraw/zinc/05/20/84/387052084.db2.gz HTJMBUZECWCALG-UWVGGRQHSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)[C@@H](C)C[NH2+]1 ZINC000648108057 387052611 /nfs/dbraw/zinc/05/26/11/387052611.db2.gz VYBBBKBUORWPAM-KXUCPTDWSA-N 2 0 225.336 0.193 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000645503815 387056625 /nfs/dbraw/zinc/05/66/25/387056625.db2.gz QXBLTVCVGDCUBL-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)NC[C@H]2CCC[NH2+]2)[C@H]1C ZINC000333810377 387056678 /nfs/dbraw/zinc/05/66/78/387056678.db2.gz JDQJEGYGZHZDOA-GARJFASQSA-N 2 0 240.351 0.130 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648108470 387058160 /nfs/dbraw/zinc/05/81/60/387058160.db2.gz YZPBUZMLUWGFKV-WYUUTHIRSA-N 2 0 237.347 0.052 20 0 BCADRP CC1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[NH2+]CC1 ZINC000648108612 387059693 /nfs/dbraw/zinc/05/96/93/387059693.db2.gz DKMLTYAGLVFEHJ-MXWKQRLJSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@H]1OCC[C@@]1(O)C[NH2+]C1CCN(C)CC1 ZINC000228058579 387064237 /nfs/dbraw/zinc/06/42/37/387064237.db2.gz HKHRDHDGUACDAV-ZYHUDNBSSA-N 2 0 228.336 0.210 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000334934645 387010243 /nfs/dbraw/zinc/01/02/43/387010243.db2.gz XIUXAHOGGKUNFW-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP CCCN(C(=O)[C@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000648102884 387013952 /nfs/dbraw/zinc/01/39/52/387013952.db2.gz VCIKLKSUWLTIDR-GFCCVEGCSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H]1CC[C@H](O)CN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000399487100 387016989 /nfs/dbraw/zinc/01/69/89/387016989.db2.gz RWWLWJKVQGYDAK-WXHSDQCUSA-N 2 0 242.363 0.287 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000648103411 387019152 /nfs/dbraw/zinc/01/91/52/387019152.db2.gz PZWUNGWUBXEPOQ-PWSUYJOCSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000648103412 387019401 /nfs/dbraw/zinc/01/94/01/387019401.db2.gz PZWUNGWUBXEPOQ-ZYHUDNBSSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000070316793 387065945 /nfs/dbraw/zinc/06/59/45/387065945.db2.gz PJYVZSPURZJMDX-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@H](CN1CCOCC1)[NH2+]CC1([NH3+])CCC1 ZINC000519156689 387020414 /nfs/dbraw/zinc/02/04/14/387020414.db2.gz DZEWFBYEHNPNLU-LLVKDONJSA-N 2 0 227.352 0.178 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC(C)(C)[NH3+])C1 ZINC000334943915 387021557 /nfs/dbraw/zinc/02/15/57/387021557.db2.gz KTAHNFKHGHSBIW-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)CCC(C)(C)[NH3+] ZINC000648105250 387023699 /nfs/dbraw/zinc/02/36/99/387023699.db2.gz HRXZPLGPITZUST-VHSXEESVSA-N 2 0 227.352 0.700 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648105631 387025006 /nfs/dbraw/zinc/02/50/06/387025006.db2.gz OAWUECKSMSKYKS-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC[N@@H+]1C ZINC000648105653 387025713 /nfs/dbraw/zinc/02/57/13/387025713.db2.gz PAUZPEHVNUMZHC-WHOHXGKFSA-N 2 0 239.363 0.522 20 0 BCADRP C[NH2+]CCC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000519161763 387025935 /nfs/dbraw/zinc/02/59/35/387025935.db2.gz NARNVMNLDYRKFM-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCC[NH3+] ZINC000418050783 387069035 /nfs/dbraw/zinc/06/90/35/387069035.db2.gz XCTFZBGFYBDVCN-NSHDSACASA-N 2 0 242.367 0.509 20 0 BCADRP COCCCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766336 387070857 /nfs/dbraw/zinc/07/08/57/387070857.db2.gz MNSXCAKJBUWYJG-ZDUSSCGKSA-N 2 0 244.379 0.802 20 0 BCADRP C[NH+](C)C1(CNC(=O)C[NH3+])CCCCC1 ZINC000040432176 387072970 /nfs/dbraw/zinc/07/29/70/387072970.db2.gz SPEWYQHYVGVJNY-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000333896284 387073120 /nfs/dbraw/zinc/07/31/20/387073120.db2.gz ASKIWIWAMNDSIQ-DCAQKATOSA-N 2 0 240.351 0.212 20 0 BCADRP [NH3+][C@@H]1C[C@H](NC[C@H]2C[NH2+]CCO2)c2ccccc21 ZINC000333890625 387073648 /nfs/dbraw/zinc/07/36/48/387073648.db2.gz YDBNKPLEJUWKTN-HONMWMINSA-N 2 0 247.342 0.709 20 0 BCADRP C[C@H](C[NH3+])NC(=O)NCC1([NH+](C)C)CCC1 ZINC000418044316 387076094 /nfs/dbraw/zinc/07/60/94/387076094.db2.gz AWCVJFNKEDTRLG-SECBINFHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000418054622 387077680 /nfs/dbraw/zinc/07/76/80/387077680.db2.gz FSWFGMCDELNIIR-JTQLQIEISA-N 2 0 242.367 0.365 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000334992554 387082454 /nfs/dbraw/zinc/08/24/54/387082454.db2.gz BRSWGGWPEQHKAK-NEPJUHHUSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](CCN2CCOCC2)CC1 ZINC000111612068 387085633 /nfs/dbraw/zinc/08/56/33/387085633.db2.gz DUAARYBFVWPAKA-GFCCVEGCSA-N 2 0 241.379 0.378 20 0 BCADRP C[N@H+](CCNC(=O)C(C)(C)[NH3+])C1CCCC1 ZINC000070946069 387086072 /nfs/dbraw/zinc/08/60/72/387086072.db2.gz SQCLRMMTWYDJED-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP CCN(CC)C(=O)CN1CC[C@@H](C[NH2+]C)C1 ZINC000070799878 387089898 /nfs/dbraw/zinc/08/98/98/387089898.db2.gz JIBFJWPIIHEHEM-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359426949 387099438 /nfs/dbraw/zinc/09/94/38/387099438.db2.gz FLFZJIXDWIBXMR-RYUDHWBXSA-N 2 0 237.347 0.006 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186518038 387105878 /nfs/dbraw/zinc/10/58/78/387105878.db2.gz PVGJESZBJMJURF-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)([NH3+])CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186506656 387107576 /nfs/dbraw/zinc/10/75/76/387107576.db2.gz HHWQUEBWVMTEFT-JTQLQIEISA-N 2 0 239.363 0.857 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)NC(C)(C)CC[NH3+])C1 ZINC000643437409 387122252 /nfs/dbraw/zinc/12/22/52/387122252.db2.gz UBBFFAAWYQNHLJ-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250568511 387124074 /nfs/dbraw/zinc/12/40/74/387124074.db2.gz HFNDKUBMEPMVOU-WOPDTQHZSA-N 2 0 239.363 0.713 20 0 BCADRP C1CC1[C@@H](N[C@H]1CCC[NH2+]C1)[C@@H]1C[NH2+]CCO1 ZINC000423308447 387143828 /nfs/dbraw/zinc/14/38/28/387143828.db2.gz XZGRVBPTJHVQJQ-RWMBFGLXSA-N 2 0 239.363 0.095 20 0 BCADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000423308852 387144211 /nfs/dbraw/zinc/14/42/11/387144211.db2.gz OZOXJWDRTAPIBA-ONGXEEELSA-N 2 0 222.336 0.982 20 0 BCADRP CC[C@@H]([NH2+]CC1C[NH2+]C1)C1(C(=O)OC)CCC1 ZINC000423309016 387145123 /nfs/dbraw/zinc/14/51/23/387145123.db2.gz YMJDTVXPTAGRQZ-LLVKDONJSA-N 2 0 240.347 0.917 20 0 BCADRP C[NH+](C)CC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000359692689 387149013 /nfs/dbraw/zinc/14/90/13/387149013.db2.gz ZDIILGWZITVXSQ-NSHDSACASA-N 2 0 245.392 0.102 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000336320887 387149758 /nfs/dbraw/zinc/14/97/58/387149758.db2.gz YWUPVKRHRNKBGU-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000300130644 387155007 /nfs/dbraw/zinc/15/50/07/387155007.db2.gz AXRKWBIPGXAMKT-QJPTWQEYSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H]1CCC[N@H+](CCNC(=O)C2(C)C[NH2+]C2)C1 ZINC000423321960 387163753 /nfs/dbraw/zinc/16/37/53/387163753.db2.gz GRAGCBBXDFVIJB-NSHDSACASA-N 2 0 239.363 0.444 20 0 BCADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000336360750 387193335 /nfs/dbraw/zinc/19/33/35/387193335.db2.gz ZNPKDZGFVZPIIW-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@H](Cn1cncn1)[NH2+][C@H](C)CC[NH+](C)C ZINC000353380438 387193524 /nfs/dbraw/zinc/19/35/24/387193524.db2.gz BXYGAEAPCTWPKG-VXGBXAGGSA-N 2 0 239.367 0.987 20 0 BCADRP C[C@H]1CN(C(=O)c2coc(C[NH3+])c2)C[C@H](C)[NH2+]1 ZINC000187178092 387173798 /nfs/dbraw/zinc/17/37/98/387173798.db2.gz VBCIPSUFXCYKDU-IUCAKERBSA-N 2 0 237.303 0.561 20 0 BCADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423331274 387175195 /nfs/dbraw/zinc/17/51/95/387175195.db2.gz CQORYPTUMLARAO-BXUZGUMPSA-N 2 0 235.375 0.978 20 0 BCADRP COC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)C(C)C ZINC000423330847 387175530 /nfs/dbraw/zinc/17/55/30/387175530.db2.gz UHJMHMIQMJZRDH-WDEREUQCSA-N 2 0 200.326 0.984 20 0 BCADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCCC[NH3+] ZINC000423333034 387178110 /nfs/dbraw/zinc/17/81/10/387178110.db2.gz NTPUJCPJCZFXHC-CMPLNLGQSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@]1(C(=O)NCC2=CC[NH2+]CC2)CCC[NH2+]C1 ZINC000336351129 387180509 /nfs/dbraw/zinc/18/05/09/387180509.db2.gz VZAQQDORBGWIQF-ZDUSSCGKSA-N 2 0 237.347 0.412 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000371261765 387182672 /nfs/dbraw/zinc/18/26/72/387182672.db2.gz CRMCSGUUJVWIQA-HBNTYKKESA-N 2 0 225.336 0.419 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000371261767 387184065 /nfs/dbraw/zinc/18/40/65/387184065.db2.gz CRMCSGUUJVWIQA-OUAUKWLOSA-N 2 0 225.336 0.419 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C[NH2+]C3CC3)C[C@@H]21 ZINC000571873583 387184272 /nfs/dbraw/zinc/18/42/72/387184272.db2.gz UVQLPCOOCOBHIO-ZMLRMANQSA-N 2 0 237.347 0.324 20 0 BCADRP C[N@H+](CCCN1CCOCC1)[C@H](CN)C1CC1 ZINC000359893334 387186001 /nfs/dbraw/zinc/18/60/01/387186001.db2.gz CBISZYDIAFJHHP-CYBMUJFWSA-N 2 0 241.379 0.378 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062972441 387190543 /nfs/dbraw/zinc/19/05/43/387190543.db2.gz YYUFRSWATSGNFV-MNOVXSKESA-N 2 0 227.352 0.666 20 0 BCADRP CC[N@H+]1C[C@H](NCC2([NH3+])CCC2)[C@@H](C)C1 ZINC000423343142 387191874 /nfs/dbraw/zinc/19/18/74/387191874.db2.gz ZGGVVLOOXYHLQN-QWRGUYRKSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@H](C[NH3+])CN[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423300379 387133164 /nfs/dbraw/zinc/13/31/64/387133164.db2.gz RLSRYZSQRMEVCA-FOGDFJRCSA-N 2 0 211.353 0.654 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NCC1=CC[NH2+]CC1 ZINC000648111467 387133875 /nfs/dbraw/zinc/13/38/75/387133875.db2.gz RABSAIBMBLGJLR-UHFFFAOYSA-N 2 0 232.287 0.144 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000423303860 387137281 /nfs/dbraw/zinc/13/72/81/387137281.db2.gz MRVIPYMXZGTSPO-WOPDTQHZSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000423304915 387139172 /nfs/dbraw/zinc/13/91/72/387139172.db2.gz PVKGBIJJVHFCRU-SDDRHHMPSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000423304916 387140445 /nfs/dbraw/zinc/14/04/45/387140445.db2.gz PVKGBIJJVHFCRU-SRVKXCTJSA-N 2 0 211.353 0.716 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000353450584 387204936 /nfs/dbraw/zinc/20/49/36/387204936.db2.gz ORQAKCJDQMGOAR-GMTAPVOTSA-N 2 0 227.352 0.474 20 0 BCADRP COC[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000300414284 387206694 /nfs/dbraw/zinc/20/66/94/387206694.db2.gz KUQNFOHZSMLBTJ-FDYHWXHSSA-N 2 0 244.379 0.702 20 0 BCADRP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423357131 387207399 /nfs/dbraw/zinc/20/73/99/387207399.db2.gz HUJDKORRHKQFJS-UMSGYPCISA-N 2 0 241.379 0.341 20 0 BCADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356501 387208715 /nfs/dbraw/zinc/20/87/15/387208715.db2.gz JZYUGLTXBUFMIG-YNEHKIRRSA-N 2 0 241.379 0.485 20 0 BCADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NCC[NH3+] ZINC000418197160 387211628 /nfs/dbraw/zinc/21/16/28/387211628.db2.gz FHFMRCFPPQPCMW-JTQLQIEISA-N 2 0 230.356 0.365 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC(C)(C)C[NH3+] ZINC000418197946 387211952 /nfs/dbraw/zinc/21/19/52/387211952.db2.gz KOGHADKPWHPXAF-JTQLQIEISA-N 2 0 244.383 0.752 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418203370 387217999 /nfs/dbraw/zinc/21/79/99/387217999.db2.gz KHDNNBCWRKBOHK-DCAQKATOSA-N 2 0 242.367 0.234 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000572003984 387218629 /nfs/dbraw/zinc/21/86/29/387218629.db2.gz ZBASXEYYSDOHBI-NTZNESFSSA-N 2 0 239.363 0.572 20 0 BCADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NCCC[NH3+] ZINC000418204463 387219714 /nfs/dbraw/zinc/21/97/14/387219714.db2.gz PPTTUVNGQDCIAK-NSHDSACASA-N 2 0 244.383 0.755 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+](C)CC ZINC000353513204 387219895 /nfs/dbraw/zinc/21/98/95/387219895.db2.gz KRIJDTBLTZJGFI-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)C[NH3+] ZINC000418210281 387221491 /nfs/dbraw/zinc/22/14/91/387221491.db2.gz XLMGEEZJSWRGGU-WDEREUQCSA-N 2 0 244.383 0.753 20 0 BCADRP C[C@H](N[C@@H]1C[NH2+]CC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423370052 387223721 /nfs/dbraw/zinc/22/37/21/387223721.db2.gz UBBVCYISOKFXLQ-WRWGMCAJSA-N 2 0 211.353 0.715 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000423404788 387241948 /nfs/dbraw/zinc/24/19/48/387241948.db2.gz XRSVRECOZNKURN-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423406270 387243797 /nfs/dbraw/zinc/24/37/97/387243797.db2.gz UOEQPXOWUKXKGO-MMWGEVLESA-N 2 0 200.326 0.997 20 0 BCADRP COC[C@]1(CN[C@H]2CCC[C@H]2C[NH3+])CCC[NH2+]1 ZINC000423416541 387249137 /nfs/dbraw/zinc/24/91/37/387249137.db2.gz QXMJNIFWMPFBLX-RWMBFGLXSA-N 2 0 241.379 0.472 20 0 BCADRP COC[C@]1(CN[C@@H](C)[C@@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000423417505 387249168 /nfs/dbraw/zinc/24/91/68/387249168.db2.gz SLWBUMZFOKQTSH-RWMBFGLXSA-N 2 0 241.379 0.485 20 0 BCADRP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423423926 387250461 /nfs/dbraw/zinc/25/04/61/387250461.db2.gz FAEOELBOUVGJRO-QNWHQSFQSA-N 2 0 234.347 0.715 20 0 BCADRP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423428015 387252303 /nfs/dbraw/zinc/25/23/03/387252303.db2.gz IVHIEWAJPITYDJ-KIJLLGNVSA-N 2 0 224.348 0.999 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCOC2)CC[N@@H+]1C ZINC000300358426 387198932 /nfs/dbraw/zinc/19/89/32/387198932.db2.gz HBLBHPCEMHISAR-IJLUTSLNSA-N 2 0 228.336 0.210 20 0 BCADRP C[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000643500247 387309980 /nfs/dbraw/zinc/30/99/80/387309980.db2.gz YMRAQBWWJAHOPE-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H](NCC(=O)NCC1CC1)[C@@H]1CCCC[NH2+]1 ZINC000393062191 387313845 /nfs/dbraw/zinc/31/38/45/387313845.db2.gz QCGMTWPOLBSJJK-JQWIXIFHSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188185993 387257567 /nfs/dbraw/zinc/25/75/67/387257567.db2.gz WGVUUHQKFQPAIC-XWLWVQCSSA-N 2 0 243.326 0.272 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000423470834 387317117 /nfs/dbraw/zinc/31/71/17/387317117.db2.gz GVIRFKZAWRTKDD-BBBLOLIVSA-N 2 0 233.306 0.523 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH2+]CC2)CC[N@@H+]1C ZINC000648119868 387259965 /nfs/dbraw/zinc/25/99/65/387259965.db2.gz AQXINQKULCJOJV-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP CN(C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C1CC[NH+](C)CC1 ZINC000648110282 387260136 /nfs/dbraw/zinc/26/01/36/387260136.db2.gz MHZZGGIEBUYLOW-JLLWLGSASA-N 2 0 237.347 0.289 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000645685054 387267945 /nfs/dbraw/zinc/26/79/45/387267945.db2.gz RUSJVBFHOKLBDW-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000645684862 387269803 /nfs/dbraw/zinc/26/98/03/387269803.db2.gz JSOMRTBYEPSAAP-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000372119029 387273561 /nfs/dbraw/zinc/27/35/61/387273561.db2.gz UFAJKKKWVWSGSJ-VXGBXAGGSA-N 2 0 245.342 0.568 20 0 BCADRP C[C@@H](NC[C@H]1[NH2+]CCCC1(C)C)C1C[NH2+]C1 ZINC000423390461 387275767 /nfs/dbraw/zinc/27/57/67/387275767.db2.gz OKKBTOUVZXWHBT-ZYHUDNBSSA-N 2 0 225.380 0.962 20 0 BCADRP CC[NH2+][C@H](C)CN[C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000423393108 387277969 /nfs/dbraw/zinc/27/79/69/387277969.db2.gz YKHMKAONZRRYIN-QJPTWQEYSA-N 2 0 213.369 0.914 20 0 BCADRP CC[NH2+]CCC[NH2+][C@H](C)Cn1cccn1 ZINC000643499073 387284292 /nfs/dbraw/zinc/28/42/92/387284292.db2.gz QOQOUEKBZHLVPO-LLVKDONJSA-N 2 0 210.325 0.861 20 0 BCADRP COC[C@]1(CN[C@H]2C[N@H+](C)C[C@H]2C)CCC[NH2+]1 ZINC000423439188 387288310 /nfs/dbraw/zinc/28/83/10/387288310.db2.gz VIUZVQNTCSIUOP-FRRDWIJNSA-N 2 0 241.379 0.295 20 0 BCADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423438098 387288896 /nfs/dbraw/zinc/28/88/96/387288896.db2.gz GTKOIQLCEFAWHK-VPOLOUISSA-N 2 0 211.353 0.937 20 0 BCADRP COC[C@]1(CN[C@H]2C[N@H+](C)C[C@@H]2C)CCC[NH2+]1 ZINC000423439195 387289018 /nfs/dbraw/zinc/28/90/18/387289018.db2.gz VIUZVQNTCSIUOP-RWMBFGLXSA-N 2 0 241.379 0.295 20 0 BCADRP CC[C@H]([NH3+])CN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423441201 387290128 /nfs/dbraw/zinc/29/01/28/387290128.db2.gz AZVSATVIWNAVTD-VWYCJHECSA-N 2 0 211.353 0.939 20 0 BCADRP C[C@H]([NH3+])[C@H](C)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423448550 387297374 /nfs/dbraw/zinc/29/73/74/387297374.db2.gz QKMPTDQMMJPGNE-GMOBBJLQSA-N 2 0 211.353 0.794 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000514857578 387297617 /nfs/dbraw/zinc/29/76/17/387297617.db2.gz YRHMSRIJYOYAIS-JQWIXIFHSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC1CC[NH2+]CC1 ZINC000191987240 387298978 /nfs/dbraw/zinc/29/89/78/387298978.db2.gz VCANKINASNDNAM-DTWKUNHWSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC1CC[NH2+]CC1 ZINC000191987244 387300161 /nfs/dbraw/zinc/30/01/61/387300161.db2.gz VCANKINASNDNAM-RKDXNWHRSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H]1C[C@H]1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352544922 387307979 /nfs/dbraw/zinc/30/79/79/387307979.db2.gz DTXXQYWTYBHUDE-AGIUHOORSA-N 2 0 223.364 0.622 20 0 BCADRP CC1([NH3+])CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000648121484 387308714 /nfs/dbraw/zinc/30/87/14/387308714.db2.gz PNUOJQNJTJUMGQ-DTORHVGOSA-N 2 0 211.309 0.064 20 0 BCADRP CCC[C@H](C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000423533452 387360955 /nfs/dbraw/zinc/36/09/55/387360955.db2.gz TWVCKFWBQAYVFM-SDDRHHMPSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H](NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000643502941 387365975 /nfs/dbraw/zinc/36/59/75/387365975.db2.gz VSRFKKGQDIFQNT-SRVKXCTJSA-N 2 0 211.353 0.859 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000643502431 387366750 /nfs/dbraw/zinc/36/67/50/387366750.db2.gz GBXAAVOYKAAIAV-SRVKXCTJSA-N 2 0 211.353 0.846 20 0 BCADRP CC[C@H](NC[C@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]1 ZINC000423543982 387368584 /nfs/dbraw/zinc/36/85/84/387368584.db2.gz CASCHKNQZHBCDB-WOPDTQHZSA-N 2 0 227.352 0.095 20 0 BCADRP CCC[C@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+](C)C ZINC000423548278 387369762 /nfs/dbraw/zinc/36/97/62/387369762.db2.gz MKXHQXKGAVAWHX-GRYCIOLGSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423547940 387370202 /nfs/dbraw/zinc/37/02/02/387370202.db2.gz GHUJEMJDMKZUFD-GRYCIOLGSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H]1CCNC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546998 387370215 /nfs/dbraw/zinc/37/02/15/387370215.db2.gz ZWBCXAWOUQGCPV-WCQYABFASA-N 2 0 223.364 0.884 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000515351614 387371639 /nfs/dbraw/zinc/37/16/39/387371639.db2.gz MULJHITVIIOFPQ-PWSUYJOCSA-N 2 0 243.351 0.080 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCC(N)=O ZINC000360953419 387372074 /nfs/dbraw/zinc/37/20/74/387372074.db2.gz AKEDMSACQILMRB-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](C[C@H]1COCC[NH2+]1)N[C@@H]1CCCC[NH2+]C1 ZINC000423553608 387373213 /nfs/dbraw/zinc/37/32/13/387373213.db2.gz KNVFCNGXGWRXET-UPJWGTAASA-N 2 0 241.379 0.485 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1NCCC[NH2+]C1CC1 ZINC000423568533 387377680 /nfs/dbraw/zinc/37/76/80/387377680.db2.gz VLYXFQUFGRFHEL-PWSUYJOCSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@@H](NC[C@H]1C[NH2+]CCO1)[C@@H]1CCCC[NH2+]1 ZINC000423571220 387379163 /nfs/dbraw/zinc/37/91/63/387379163.db2.gz NGSPENQVFLFISB-UTUOFQBUSA-N 2 0 227.352 0.095 20 0 BCADRP C[C@]1(C(=O)N2CCC([NH3+])CC2)CCCC[NH2+]1 ZINC000237747417 387379289 /nfs/dbraw/zinc/37/92/89/387379289.db2.gz PWCMMCZUGHUZLB-GFCCVEGCSA-N 2 0 225.336 0.468 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000373562858 387380738 /nfs/dbraw/zinc/38/07/38/387380738.db2.gz SGDIQZOWZACERJ-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCCC[NH2+]1 ZINC000423571218 387381055 /nfs/dbraw/zinc/38/10/55/387381055.db2.gz NGSPENQVFLFISB-SRVKXCTJSA-N 2 0 227.352 0.095 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@H]1CC[NH2+]C1 ZINC000418391415 387324013 /nfs/dbraw/zinc/32/40/13/387324013.db2.gz VLOIEXYOGSXWFT-VHSXEESVSA-N 2 0 228.340 0.021 20 0 BCADRP CC[C@H]([NH3+])CN[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423479935 387326125 /nfs/dbraw/zinc/32/61/25/387326125.db2.gz VQCVKAFCXLSNMC-NHCYSSNCSA-N 2 0 211.353 0.796 20 0 BCADRP C[C@H]1CN(C)C[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423430662 387327726 /nfs/dbraw/zinc/32/77/26/387327726.db2.gz IDVGWGDLUBRWJX-DEQVHRJGSA-N 2 0 237.391 0.914 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000515058442 387329440 /nfs/dbraw/zinc/32/94/40/387329440.db2.gz UDQOAMWRLKHGBX-OYNCUSHFSA-N 2 0 228.340 0.149 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000423483813 387329920 /nfs/dbraw/zinc/32/99/20/387329920.db2.gz RRONOWMVPUMXDN-GMTAPVOTSA-N 2 0 247.333 0.913 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423494396 387338416 /nfs/dbraw/zinc/33/84/16/387338416.db2.gz DDBSQFIOVVPFCR-RHYQMDGZSA-N 2 0 211.353 0.701 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C[NH+]1CCC(C)CC1 ZINC000423494717 387338439 /nfs/dbraw/zinc/33/84/39/387338439.db2.gz DGOYRLODLPYKDT-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@H](NC[C@H]1C[NH2+]CCN1C)[C@@H]1CCC[NH2+]1 ZINC000423498722 387340010 /nfs/dbraw/zinc/34/00/10/387340010.db2.gz BXBFWCFXCVFDBZ-AGIUHOORSA-N 2 0 240.395 0.010 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000515173976 387343713 /nfs/dbraw/zinc/34/37/13/387343713.db2.gz AJBBSVGAFIPHGQ-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000373066179 387344234 /nfs/dbraw/zinc/34/42/34/387344234.db2.gz OSZKGTYELDVWIQ-YFKTTZPYSA-N 2 0 237.347 0.324 20 0 BCADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000423781859 387424847 /nfs/dbraw/zinc/42/48/47/387424847.db2.gz YEXLPXRUSVYLCY-QJPTWQEYSA-N 2 0 237.347 0.434 20 0 BCADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[NH2+]C ZINC000423781836 387424936 /nfs/dbraw/zinc/42/49/36/387424936.db2.gz YAVXCWFQFABDLM-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[NH2+]C ZINC000423781834 387425471 /nfs/dbraw/zinc/42/54/71/387425471.db2.gz YAVXCWFQFABDLM-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000643469707 387425877 /nfs/dbraw/zinc/42/58/77/387425877.db2.gz BXYUYBBORNZXAH-JQWIXIFHSA-N 2 0 239.363 0.762 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]([NH3+])C(C)C ZINC000418399707 387429059 /nfs/dbraw/zinc/42/90/59/387429059.db2.gz GLKRLZXFOCMYFJ-MNOVXSKESA-N 2 0 244.383 0.786 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000515851195 387429079 /nfs/dbraw/zinc/42/90/79/387429079.db2.gz NGRMLFFUDXXYQD-PHIMTYICSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000423814161 387432489 /nfs/dbraw/zinc/43/24/89/387432489.db2.gz GJUARTLQUHYCFD-JQWIXIFHSA-N 2 0 239.363 0.727 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)C1([NH3+])CCCC1 ZINC000423847549 387433335 /nfs/dbraw/zinc/43/33/35/387433335.db2.gz MTPQAHHVWCFGBQ-UHFFFAOYSA-N 2 0 239.363 0.811 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000423842131 387433608 /nfs/dbraw/zinc/43/36/08/387433608.db2.gz GMEZCGOUEPJXPD-WDEREUQCSA-N 2 0 239.363 0.666 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000423842129 387433733 /nfs/dbraw/zinc/43/37/33/387433733.db2.gz GMEZCGOUEPJXPD-QWRGUYRKSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423844576 387434077 /nfs/dbraw/zinc/43/40/77/387434077.db2.gz JDQPQCHMQXOTHW-UWVGGRQHSA-N 2 0 227.352 0.522 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)C1(C)C[NH2+]C1 ZINC000423846609 387434850 /nfs/dbraw/zinc/43/48/50/387434850.db2.gz LMWIEVPEIGIGSI-UHFFFAOYSA-N 2 0 225.336 0.149 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)c1c[nH+]ccc1N ZINC000423844098 387435690 /nfs/dbraw/zinc/43/56/90/387435690.db2.gz ISJIUUQLJAPMQR-UHFFFAOYSA-N 2 0 248.330 0.660 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000423893733 387445976 /nfs/dbraw/zinc/44/59/76/387445976.db2.gz ATDBXJKZAYBNOQ-WOPDTQHZSA-N 2 0 239.363 0.666 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000423893722 387446911 /nfs/dbraw/zinc/44/69/11/387446911.db2.gz ATDBXJKZAYBNOQ-GRYCIOLGSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@H](C(=O)N1C[C@H](C)[C@H]([NH3+])C1)[NH+](CC)CC ZINC000423939302 387455989 /nfs/dbraw/zinc/45/59/89/387455989.db2.gz AGWXQTLENBGDOZ-QJPTWQEYSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@H](C(=O)N1C[C@H]([NH3+])[C@@H](C)C1)[NH+](CC)CC ZINC000423939303 387456240 /nfs/dbraw/zinc/45/62/40/387456240.db2.gz AGWXQTLENBGDOZ-SDDRHHMPSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@]1(CNC(=O)[C@@H]2CCCC[NH2+]2)CCC[NH2+]C1 ZINC000336560480 387386791 /nfs/dbraw/zinc/38/67/91/387386791.db2.gz PJXFOOVFIBEHFS-WCQYABFASA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CC[NH2+]C1CC1 ZINC000515498101 387390827 /nfs/dbraw/zinc/39/08/27/387390827.db2.gz DSKOWZYGJRGLJY-BREBYQMCSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423656529 387392075 /nfs/dbraw/zinc/39/20/75/387392075.db2.gz XAIJRQSEYNFKMA-WRWGMCAJSA-N 2 0 239.363 0.807 20 0 BCADRP C[C@@H]1CCN(C(=O)CC2(C[NH3+])CC2)[C@@H](C[NH3+])C1 ZINC000423671452 387393380 /nfs/dbraw/zinc/39/33/80/387393380.db2.gz WQBJSSUVDKOJSB-GHMZBOCLSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@H]1CCN(C(=O)CC2(C[NH3+])CC2)[C@H](C[NH3+])C1 ZINC000423671453 387393434 /nfs/dbraw/zinc/39/34/34/387393434.db2.gz WQBJSSUVDKOJSB-MNOVXSKESA-N 2 0 239.363 0.701 20 0 BCADRP CCC[C@H](C(=O)N[C@@H](C)CCC[NH3+])[NH+](C)C ZINC000423678519 387395091 /nfs/dbraw/zinc/39/50/91/387395091.db2.gz JCIPCXWCUUVARL-WDEREUQCSA-N 2 0 229.368 0.960 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)c1c[nH+]ccc1N(C)C ZINC000423674561 387395949 /nfs/dbraw/zinc/39/59/49/387395949.db2.gz GXMNHGMFJNNRLM-VIFPVBQESA-N 2 0 236.319 0.615 20 0 BCADRP CC[NH+]1CCC(NCC[NH2+]C2CC2)CC1 ZINC000643506331 387460266 /nfs/dbraw/zinc/46/02/66/387460266.db2.gz SDAJZVPRYPPXQS-UHFFFAOYSA-N 2 0 211.353 0.812 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000373830669 387398248 /nfs/dbraw/zinc/39/82/48/387398248.db2.gz DVVISZXDFYOLTR-JFGNBEQYSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]Cc1ccc(NC(=O)C2(C)C[NH2+]C2)cc1 ZINC000423691080 387399143 /nfs/dbraw/zinc/39/91/43/387399143.db2.gz BUHQVXTXBZFPHL-UHFFFAOYSA-N 2 0 233.315 0.954 20 0 BCADRP C1[NH2+]CC1N[C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000515634026 387404477 /nfs/dbraw/zinc/40/44/77/387404477.db2.gz DESRAQCQEPEDAT-WOPDTQHZSA-N 2 0 209.337 0.469 20 0 BCADRP COCCN(CC[NH+](C)C)C(=O)CC[C@@H](C)[NH3+] ZINC000423748441 387409276 /nfs/dbraw/zinc/40/92/76/387409276.db2.gz ULCQMCXHBNFNOE-LLVKDONJSA-N 2 0 245.367 0.150 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)CCC[NH3+] ZINC000423752609 387409536 /nfs/dbraw/zinc/40/95/36/387409536.db2.gz AWFVTULVFQASFB-NSHDSACASA-N 2 0 229.368 0.962 20 0 BCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CCC[NH3+] ZINC000423771731 387421177 /nfs/dbraw/zinc/42/11/77/387421177.db2.gz IXNXMZCUDBJAEC-LLVKDONJSA-N 2 0 227.352 0.524 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C[NH3+])OC ZINC000423778049 387421695 /nfs/dbraw/zinc/42/16/95/387421695.db2.gz SLWOIRSXZQKXRJ-WDEREUQCSA-N 2 0 245.367 0.197 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000374998099 387506659 /nfs/dbraw/zinc/50/66/59/387506659.db2.gz ZYOLVZVSHKYESV-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000355314068 387517681 /nfs/dbraw/zinc/51/76/81/387517681.db2.gz GXDRECCXFNTQMO-NSHDSACASA-N 2 0 227.352 0.348 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(C)CC[NH+](C)C ZINC000516968331 387518105 /nfs/dbraw/zinc/51/81/05/387518105.db2.gz AMBUEHWQUGGPMQ-NXEZZACHSA-N 2 0 230.356 0.315 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423981518 387462765 /nfs/dbraw/zinc/46/27/65/387462765.db2.gz XICAELQFNMYBCA-SRVKXCTJSA-N 2 0 239.363 0.809 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@H]1NCC[NH2+]C1CC1 ZINC000643508272 387481198 /nfs/dbraw/zinc/48/11/98/387481198.db2.gz ZSOAKIAFOMBDCS-VXGBXAGGSA-N 2 0 211.353 0.988 20 0 BCADRP C(C[NH2+]C1CC1)N[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000643508121 387485038 /nfs/dbraw/zinc/48/50/38/387485038.db2.gz MJDHTYUAOXWVHW-QWHCGFSZSA-N 2 0 239.363 0.095 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000424084520 387485336 /nfs/dbraw/zinc/48/53/36/387485336.db2.gz YPGLKHNCTINNEN-NWDGAFQWSA-N 2 0 237.347 0.324 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000428141179 387583491 /nfs/dbraw/zinc/58/34/91/387583491.db2.gz XLHQMSFZUNQTJC-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000375933279 387594459 /nfs/dbraw/zinc/59/44/59/387594459.db2.gz JFFDGADVKAETFR-KGYLQXTDSA-N 2 0 247.342 0.535 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]([NH3+])C1CCC1 ZINC000422536216 387594648 /nfs/dbraw/zinc/59/46/48/387594648.db2.gz DUNOHBUFSSMIEP-NWDGAFQWSA-N 2 0 241.379 0.946 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422534531 387594814 /nfs/dbraw/zinc/59/48/14/387594814.db2.gz BDFMMYCIDTVDPW-AXFHLTTASA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)C[C@H](C)[NH2+]1 ZINC000422545934 387596363 /nfs/dbraw/zinc/59/63/63/387596363.db2.gz YDHYEKYQPFFHJB-WCABBAIRSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422538812 387596469 /nfs/dbraw/zinc/59/64/69/387596469.db2.gz JCIBEFMNZDGYDL-BJDJZHNGSA-N 2 0 241.379 0.946 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])C1CCC1 ZINC000422541427 387596813 /nfs/dbraw/zinc/59/68/13/387596813.db2.gz OFUHMAJZSURALS-WDEREUQCSA-N 2 0 227.352 0.748 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]([NH3+])C1CCC1 ZINC000422541422 387597042 /nfs/dbraw/zinc/59/70/42/387597042.db2.gz OFUHMAJZSURALS-GHMZBOCLSA-N 2 0 227.352 0.748 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000422544040 387597470 /nfs/dbraw/zinc/59/74/70/387597470.db2.gz TYVJNAUEXRUETN-JTQLQIEISA-N 2 0 213.325 0.230 20 0 BCADRP CC1(C)COCCN1CC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422716973 387628765 /nfs/dbraw/zinc/62/87/65/387628765.db2.gz VBEWELUKZXXHDK-RYUDHWBXSA-N 2 0 241.379 0.567 20 0 BCADRP CC[NH+](CCO)CC(C)C[N@H+](CC)CCO ZINC000123892004 387598467 /nfs/dbraw/zinc/59/84/67/387598467.db2.gz ZITUDWUIPJKINE-UHFFFAOYSA-N 2 0 232.368 0.251 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000041679546 387604835 /nfs/dbraw/zinc/60/48/35/387604835.db2.gz OBIXEQSEPNDCCZ-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP C[NH+](C)CCCCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000041679634 387604893 /nfs/dbraw/zinc/60/48/93/387604893.db2.gz YKHSVPNBBTUVRA-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000422605109 387605203 /nfs/dbraw/zinc/60/52/03/387605203.db2.gz FENJYKAPGYEUCC-SECBINFHSA-N 2 0 228.340 0.165 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCCCC[NH+](C)C ZINC000041679627 387605570 /nfs/dbraw/zinc/60/55/70/387605570.db2.gz GKVRHCVBNMYMPR-GFCCVEGCSA-N 2 0 229.368 0.962 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000422605110 387605697 /nfs/dbraw/zinc/60/56/97/387605697.db2.gz FENJYKAPGYEUCC-VIFPVBQESA-N 2 0 228.340 0.165 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422614448 387607330 /nfs/dbraw/zinc/60/73/30/387607330.db2.gz YQVCKGUWZKYXKO-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422610834 387607596 /nfs/dbraw/zinc/60/75/96/387607596.db2.gz QWPONOHWQKLKKO-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000422689568 387613291 /nfs/dbraw/zinc/61/32/91/387613291.db2.gz FKGQCQKGRKDJAY-AXFHLTTASA-N 2 0 227.352 0.556 20 0 BCADRP COCCN1CCC[C@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422707624 387619924 /nfs/dbraw/zinc/61/99/24/387619924.db2.gz WSOQINRXDDGKKF-STQMWFEESA-N 2 0 243.395 0.814 20 0 BCADRP C[C@](CN)([NH2+]CCN1CCCC1=O)C1CC1 ZINC000430591612 387629620 /nfs/dbraw/zinc/62/96/20/387629620.db2.gz ONSSIFLTWUTEFD-GFCCVEGCSA-N 2 0 225.336 0.326 20 0 BCADRP CCC[C@H](C(=O)NCCC[NH3+])[NH+](C)C ZINC000422710465 387624199 /nfs/dbraw/zinc/62/41/99/387624199.db2.gz LIEYZYAIPKMFDP-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP C[C@@H](CCC[NH3+])[NH2+]CCN1CCOCC1(C)C ZINC000422711894 387624799 /nfs/dbraw/zinc/62/47/99/387624799.db2.gz NMGSWYRJGVTHIZ-LBPRGKRZSA-N 2 0 243.395 0.814 20 0 BCADRP CC[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000422038871 387545120 /nfs/dbraw/zinc/54/51/20/387545120.db2.gz QSDGLYUZQHBILJ-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000376381768 387627144 /nfs/dbraw/zinc/62/71/44/387627144.db2.gz CCYBAPAYHUJRTG-IJLUTSLNSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H](C)[NH+](C)C)[C@@H](C)[NH3+] ZINC000399554374 387555131 /nfs/dbraw/zinc/55/51/31/387555131.db2.gz ASSUZFTUXRDIOI-AXFHLTTASA-N 2 0 229.368 0.672 20 0 BCADRP CN(CC(=O)N(C)CC1CC1)CC(C)(C)C[NH3+] ZINC000430596602 387629889 /nfs/dbraw/zinc/62/98/89/387629889.db2.gz XGFZEMXJVDWUFP-UHFFFAOYSA-N 2 0 241.379 0.772 20 0 BCADRP CC[C@H](C)[C@@H](O)C[NH2+][C@@H](CCC[NH3+])COC ZINC000422718781 387630117 /nfs/dbraw/zinc/63/01/17/387630117.db2.gz XOHGBFOWLHPGCJ-SRVKXCTJSA-N 2 0 232.368 0.737 20 0 BCADRP CC[N@H+](C)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422718185 387630616 /nfs/dbraw/zinc/63/06/16/387630616.db2.gz PGTNJPUUJBFXEP-NWDGAFQWSA-N 2 0 213.369 0.916 20 0 BCADRP CN(CC(=O)NCC1CCC1)CC(C)(C)C[NH3+] ZINC000430593596 387630857 /nfs/dbraw/zinc/63/08/57/387630857.db2.gz SXGFZZOERPAKRB-UHFFFAOYSA-N 2 0 241.379 0.819 20 0 BCADRP [NH3+]C[C@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC000430644314 387635145 /nfs/dbraw/zinc/63/51/45/387635145.db2.gz NAEMFFJCVOOUAQ-LLVKDONJSA-N 2 0 225.336 0.280 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000422725014 387636475 /nfs/dbraw/zinc/63/64/75/387636475.db2.gz AEXQEPLYAAJSKB-JTQLQIEISA-N 2 0 248.330 0.629 20 0 BCADRP C[NH+](C)[C@]1(CNC(=O)CCC[NH3+])CCSC1 ZINC000430687356 387637619 /nfs/dbraw/zinc/63/76/19/387637619.db2.gz QGFYQEGDICRGGF-NSHDSACASA-N 2 0 245.392 0.279 20 0 BCADRP CCC[C@@H](C(=O)NC[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000422794694 387694983 /nfs/dbraw/zinc/69/49/83/387694983.db2.gz ZIWJXOAGPAQPHH-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430708200 387642107 /nfs/dbraw/zinc/64/21/07/387642107.db2.gz RVVAQQQPQIJUKI-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000430741800 387646479 /nfs/dbraw/zinc/64/64/79/387646479.db2.gz FAWGICLFOIDAFB-AXFHLTTASA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H](CNC(=O)C1([NH3+])CC1)[N@@H+]1CCCC[C@@H]1C ZINC000430742263 387646819 /nfs/dbraw/zinc/64/68/19/387646819.db2.gz LESPMRXLXYXVSP-QWRGUYRKSA-N 2 0 239.363 0.857 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000430739473 387647761 /nfs/dbraw/zinc/64/77/61/387647761.db2.gz HMZYIDYEKRSSII-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+](C)C[C@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])c1ccccc1 ZINC000424134950 387648263 /nfs/dbraw/zinc/64/82/63/387648263.db2.gz LGTPQDRBWRFVLJ-AGIUHOORSA-N 2 0 247.342 0.753 20 0 BCADRP [NH3+][C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000422746674 387650672 /nfs/dbraw/zinc/65/06/72/387650672.db2.gz OCJMIRBYSZSWNY-VXGBXAGGSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000422746671 387651093 /nfs/dbraw/zinc/65/10/93/387651093.db2.gz OCJMIRBYSZSWNY-NEPJUHHUSA-N 2 0 239.363 0.762 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH2+]C)C[C@@H]1C ZINC000430796237 387651126 /nfs/dbraw/zinc/65/11/26/387651126.db2.gz KBFMNTYSUZPYOJ-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])C(C)C)C1 ZINC000430782387 387651234 /nfs/dbraw/zinc/65/12/34/387651234.db2.gz IKYNDNUDLLEAKS-VXGBXAGGSA-N 2 0 241.379 0.770 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH3+])C[C@H]1C ZINC000430795866 387651663 /nfs/dbraw/zinc/65/16/63/387651663.db2.gz IMXCEHWTVWYABR-VWYCJHECSA-N 2 0 227.352 0.665 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH3+])C[C@@H]1C ZINC000430795859 387652497 /nfs/dbraw/zinc/65/24/97/387652497.db2.gz IMXCEHWTVWYABR-GARJFASQSA-N 2 0 227.352 0.665 20 0 BCADRP CC[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC000362763980 387655457 /nfs/dbraw/zinc/65/54/57/387655457.db2.gz XYJJZAALMMCFNI-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430890636 387658542 /nfs/dbraw/zinc/65/85/42/387658542.db2.gz RHEYCIBDLHKVTP-RYUDHWBXSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CC[NH3+] ZINC000430898250 387659080 /nfs/dbraw/zinc/65/90/80/387659080.db2.gz VGZMUCONFKGXJL-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+]CC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000430893651 387659703 /nfs/dbraw/zinc/65/97/03/387659703.db2.gz JWHOXBOTPWUPJD-PHIMTYICSA-N 2 0 227.352 0.585 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422758162 387661182 /nfs/dbraw/zinc/66/11/82/387661182.db2.gz NPYYBIWORGQOPP-GRYCIOLGSA-N 2 0 211.353 0.940 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000362808074 387662462 /nfs/dbraw/zinc/66/24/62/387662462.db2.gz VHWPJIBDALKJIB-LBPRGKRZSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@H](CN1CCCC1=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000422762382 387663166 /nfs/dbraw/zinc/66/31/66/387663166.db2.gz NPEBFZKOBVSDQX-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@H]1CCN([C@@H](C(N)=O)c2ccccc2)C1 ZINC000430966862 387664869 /nfs/dbraw/zinc/66/48/69/387664869.db2.gz PTRNWFBZRXRBJD-DGCLKSJQSA-N 2 0 247.342 0.754 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000431014719 387671095 /nfs/dbraw/zinc/67/10/95/387671095.db2.gz LDFRRBXYLHEUAT-CMPLNLGQSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1CCNC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000422777189 387673984 /nfs/dbraw/zinc/67/39/84/387673984.db2.gz FQJLDNMVRDCVCW-NWDGAFQWSA-N 2 0 213.369 0.916 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000422777193 387674132 /nfs/dbraw/zinc/67/41/32/387674132.db2.gz FQPQMTMCRFKWNN-VIFPVBQESA-N 2 0 232.287 0.801 20 0 BCADRP CC(C)[C@H](C(=O)NCC[C@H](C)[NH3+])[C@H](C)[NH3+] ZINC000422779804 387679437 /nfs/dbraw/zinc/67/94/37/387679437.db2.gz JEXFQHCPDBBKDF-GUBZILKMSA-N 2 0 215.341 0.459 20 0 BCADRP C[C@@H](C(N)=O)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123330873 387683274 /nfs/dbraw/zinc/68/32/74/387683274.db2.gz JZJHCOOHEDULQO-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP COCCC[N@H+](C)CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422785326 387684865 /nfs/dbraw/zinc/68/48/65/387684865.db2.gz QVEOMKTZDYBQKV-RYUDHWBXSA-N 2 0 229.368 0.424 20 0 BCADRP C[NH+](C)CCCN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422743138 387691139 /nfs/dbraw/zinc/69/11/39/387691139.db2.gz HZRHXBWSIYJMEF-CHWSQXEVSA-N 2 0 241.379 0.295 20 0 BCADRP CC[NH+](CC)CCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422744802 387691884 /nfs/dbraw/zinc/69/18/84/387691884.db2.gz KVRGBBLGFMLRSB-NWDGAFQWSA-N 2 0 213.369 0.916 20 0 BCADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCOC)CC1 ZINC000451980595 387692761 /nfs/dbraw/zinc/69/27/61/387692761.db2.gz HTYUELITRTWIQR-UHFFFAOYSA-N 2 0 243.395 0.639 20 0 BCADRP CCC[C@@H](C(=O)N[C@@H](C[NH3+])C1CC1)[NH+](C)C ZINC000422865265 387746278 /nfs/dbraw/zinc/74/62/78/387746278.db2.gz XLVSDCZOHGKGOP-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])[C@H](C)[NH3+] ZINC000422866602 387746667 /nfs/dbraw/zinc/74/66/67/387746667.db2.gz QXBUBXUIQMVVMO-QCNOEVLYSA-N 2 0 241.379 0.849 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])[C@@H](C)[NH3+] ZINC000422866600 387747548 /nfs/dbraw/zinc/74/75/48/387747548.db2.gz QXBUBXUIQMVVMO-KKOKHZNYSA-N 2 0 241.379 0.849 20 0 BCADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422871842 387748807 /nfs/dbraw/zinc/74/88/07/387748807.db2.gz ZUFQTKIMYPIRBR-JHJVBQTASA-N 3 0 243.395 0.813 20 0 BCADRP C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)[C@H]1CCC[NH2+]1 ZINC000422876574 387754273 /nfs/dbraw/zinc/75/42/73/387754273.db2.gz QLDNVIZGQOXDBM-JHJVBQTASA-N 2 0 242.363 0.912 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000126829888 387697493 /nfs/dbraw/zinc/69/74/93/387697493.db2.gz RLXHGBNCHXBLNY-LBPRGKRZSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](NCC[NH+]1CCCCC1)C1C[NH2+]C1 ZINC000422801797 387703361 /nfs/dbraw/zinc/70/33/61/387703361.db2.gz APWROVCBGSNPGU-NSHDSACASA-N 2 0 211.353 0.670 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000114399998 387703659 /nfs/dbraw/zinc/70/36/59/387703659.db2.gz ASQZUGVSBBJHDT-GFCCVEGCSA-N 2 0 241.379 0.738 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000377306901 387710391 /nfs/dbraw/zinc/71/03/91/387710391.db2.gz HUZNSFNKTQYACB-NGDQXYMTSA-N 2 0 239.363 0.556 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000377306897 387710779 /nfs/dbraw/zinc/71/07/79/387710779.db2.gz HUZNSFNKTQYACB-HTFCKZLJSA-N 2 0 239.363 0.556 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)NCC(C)(C)[NH3+] ZINC000422879695 387755224 /nfs/dbraw/zinc/75/52/24/387755224.db2.gz KSNJZAAVXGUVRX-UHFFFAOYSA-N 2 0 236.319 0.615 20 0 BCADRP CC[C@H](C(=O)NC[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000629614217 387717712 /nfs/dbraw/zinc/71/77/12/387717712.db2.gz IDLOYQMCPHTULZ-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H](N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000643522751 387720856 /nfs/dbraw/zinc/72/08/56/387720856.db2.gz BYUAIRTXCAABAM-UTUOFQBUSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC000422830534 387721919 /nfs/dbraw/zinc/72/19/19/387721919.db2.gz IMPJTQBZGOGPFD-NSHDSACASA-N 2 0 227.352 0.524 20 0 BCADRP C[NH+](C)[C@]1(CN[C@@H]2CCC[C@H]2[NH3+])CCSC1 ZINC000422828085 387722084 /nfs/dbraw/zinc/72/20/84/387722084.db2.gz SSDFZLGQSLSLBZ-UTUOFQBUSA-N 2 0 243.420 0.893 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC000422833617 387725841 /nfs/dbraw/zinc/72/58/41/387725841.db2.gz WHRWTDJJEVEOEX-LBPRGKRZSA-N 2 0 241.379 0.690 20 0 BCADRP CCC[C@@H](C(=O)NC[C@H](C)C[NH2+]C)[NH+](C)C ZINC000422832751 387726262 /nfs/dbraw/zinc/72/62/62/387726262.db2.gz VNLROTGQJGVOEP-MNOVXSKESA-N 2 0 229.368 0.688 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCCCC[NH2+]1 ZINC000377562817 387727585 /nfs/dbraw/zinc/72/75/85/387727585.db2.gz KUJVRYIRUWMRJW-OUAUKWLOSA-N 2 0 225.336 0.467 20 0 BCADRP CCC[C@H](C(=O)N1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000422841655 387730625 /nfs/dbraw/zinc/73/06/25/387730625.db2.gz WKGTXAWPENGWID-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H]([NH3+])CCNC(=O)C[NH+]1CCC(C)CC1 ZINC000422789109 387733401 /nfs/dbraw/zinc/73/34/01/387733401.db2.gz TXYODGUZBCOSPP-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424142707 387736431 /nfs/dbraw/zinc/73/64/31/387736431.db2.gz ITRASRYKDXAVGT-MMWGEVLESA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H](NCC[NH+]1CCC(C)CC1)C1C[NH2+]C1 ZINC000422855850 387737857 /nfs/dbraw/zinc/73/78/57/387737857.db2.gz FLNFODRWXPVZFY-LBPRGKRZSA-N 2 0 225.380 0.916 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H](C[NH3+])C1CC1)[C@H](C)[NH3+] ZINC000422854497 387738359 /nfs/dbraw/zinc/73/83/59/387738359.db2.gz AWFNPXPUWQFHKL-LSJOCFKGSA-N 2 0 227.352 0.459 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCC[N@@H+]1C ZINC000422908555 387769468 /nfs/dbraw/zinc/76/94/68/387769468.db2.gz YQJDENBXVDVLJQ-GRYCIOLGSA-N 2 0 211.353 0.668 20 0 BCADRP CC[C@H](NCC[N@H+](C)CCOC)[C@@H]1CCC[NH2+]1 ZINC000422913481 387770496 /nfs/dbraw/zinc/77/04/96/387770496.db2.gz YNIXHUWXZMHVEH-STQMWFEESA-N 2 0 243.395 0.685 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000441626730 387773343 /nfs/dbraw/zinc/77/33/43/387773343.db2.gz JHBMYABFDCWNIX-ZYHUDNBSSA-N 2 0 235.331 0.267 20 0 BCADRP C[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)C1C[NH2+]C1 ZINC000422922085 387777559 /nfs/dbraw/zinc/77/75/59/387777559.db2.gz RXHOCWPONVTDFF-ONGXEEELSA-N 2 0 239.363 0.583 20 0 BCADRP O=C(C1C[NH2+]C1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378644323 387792551 /nfs/dbraw/zinc/79/25/51/387792551.db2.gz XTUYTGOPITYABM-JQWIXIFHSA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000424151657 387793258 /nfs/dbraw/zinc/79/32/58/387793258.db2.gz HKPWAGWZXADQRN-GRYCIOLGSA-N 2 0 237.347 0.420 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]1C[C@@H]1[NH3+])Cc1ccccc1 ZINC000424152630 387799944 /nfs/dbraw/zinc/79/99/44/387799944.db2.gz ISRXZCKKVRAPLU-OLZOCXBDSA-N 2 0 247.342 0.582 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000432527703 387800178 /nfs/dbraw/zinc/80/01/78/387800178.db2.gz RGYIRXLHPYSHJW-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422990241 387801203 /nfs/dbraw/zinc/80/12/03/387801203.db2.gz MYZUIOXGLABICH-RHYQMDGZSA-N 2 0 211.353 0.524 20 0 BCADRP C[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccoc1 ZINC000309503244 387809394 /nfs/dbraw/zinc/80/93/94/387809394.db2.gz BKWBMWSDKICXOB-PWSUYJOCSA-N 2 0 224.304 0.997 20 0 BCADRP COC[C@@]1(C[NH2+][C@H](C)CCCCO)CCC[NH2+]1 ZINC000643531967 387810624 /nfs/dbraw/zinc/81/06/24/387810624.db2.gz JYOBEALBNGQISI-OLZOCXBDSA-N 2 0 244.379 0.896 20 0 BCADRP C[C@H]([NH2+]CCCO[C@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000422876572 387756738 /nfs/dbraw/zinc/75/67/38/387756738.db2.gz QLDNVIZGQOXDBM-AVGNSLFASA-N 2 0 242.363 0.912 20 0 BCADRP COCCN1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422882202 387758350 /nfs/dbraw/zinc/75/83/50/387758350.db2.gz ANSOPOXLIDFQHJ-AGIUHOORSA-N 2 0 241.379 0.424 20 0 BCADRP CC1CC[NH+](CC(=O)NCC(C)(C)[NH3+])CC1 ZINC000422886316 387760514 /nfs/dbraw/zinc/76/05/14/387760514.db2.gz WDSKXZRKVWQYEC-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP COC[C@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C ZINC000564076717 387820989 /nfs/dbraw/zinc/82/09/89/387820989.db2.gz FLVBJOJTRKIGDK-WDEREUQCSA-N 2 0 232.368 0.560 20 0 BCADRP C[C@@H](NC[C@H](O)C[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000422971115 387821316 /nfs/dbraw/zinc/82/13/16/387821316.db2.gz HXHAOVWFPPWLGW-FRRDWIJNSA-N 2 0 241.379 0.173 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCC[NH2+]C)C[C@@H]1C ZINC000418324179 387831369 /nfs/dbraw/zinc/83/13/69/387831369.db2.gz HGXBTCBCRMQIKL-QWRGUYRKSA-N 2 0 242.367 0.330 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCN1CCCC1=O ZINC000442774859 387836922 /nfs/dbraw/zinc/83/69/22/387836922.db2.gz DNIWCFIUNNGXTD-MNOVXSKESA-N 2 0 225.336 0.278 20 0 BCADRP CC(C)C(=O)NCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423018840 387841576 /nfs/dbraw/zinc/84/15/76/387841576.db2.gz ZXVAHTOFTHOIAT-VXGBXAGGSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@H]([NH2+]CCCn1ccnn1)[C@@H]1CCC[NH2+]1 ZINC000423028795 387847488 /nfs/dbraw/zinc/84/74/88/387847488.db2.gz HEBBFVYEZLQKFA-RYUDHWBXSA-N 2 0 237.351 0.788 20 0 BCADRP C[C@H](NC[C@]1(O)CC[N@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423033443 387848627 /nfs/dbraw/zinc/84/86/27/387848627.db2.gz GRQNZEXYXHDOEF-RWMBFGLXSA-N 2 0 241.379 0.173 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000062076612 387850023 /nfs/dbraw/zinc/85/00/23/387850023.db2.gz MOSDARURLCZUPL-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]1CCNC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000423036452 387851179 /nfs/dbraw/zinc/85/11/79/387851179.db2.gz UASDBGHJVKSRGG-QWRGUYRKSA-N 2 0 212.337 0.737 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(C)[C@H]1C ZINC000423037159 387851667 /nfs/dbraw/zinc/85/16/67/387851667.db2.gz VLGQJHAKZAGNLG-RWMBFGLXSA-N 3 0 243.395 0.813 20 0 BCADRP CC(C)OC(=O)CCN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193645241 387858572 /nfs/dbraw/zinc/85/85/72/387858572.db2.gz AKLHKTKKAHRZKV-TXEJJXNPSA-N 2 0 240.347 0.822 20 0 BCADRP CCCNC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193630239 387859047 /nfs/dbraw/zinc/85/90/47/387859047.db2.gz BFIGGEJVQCZJFN-PHIMTYICSA-N 2 0 225.336 0.006 20 0 BCADRP CCCCNC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193633758 387859258 /nfs/dbraw/zinc/85/92/58/387859258.db2.gz OXEGCZBRLJDHTO-TXEJJXNPSA-N 2 0 239.363 0.396 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCCC(=O)N2)CC1 ZINC000433093815 387864673 /nfs/dbraw/zinc/86/46/73/387864673.db2.gz VYWZAAYVSUTSAJ-LBPRGKRZSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C[NH3+])C(C)C ZINC000433129209 387867514 /nfs/dbraw/zinc/86/75/14/387867514.db2.gz YSIOIFXTEDVBSK-QWRGUYRKSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536232 387867828 /nfs/dbraw/zinc/86/78/28/387867828.db2.gz OVTRGLBLWWYHFQ-WOPDTQHZSA-N 2 0 223.364 0.716 20 0 BCADRP C[C@@H](N)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000442659116 387814517 /nfs/dbraw/zinc/81/45/17/387814517.db2.gz KIFSBHQEBKEIOP-VXGBXAGGSA-N 2 0 243.395 0.358 20 0 BCADRP CC[C@H]1CN(C[C@@H](C)[NH3+])CC[N@@H+]1CCOC ZINC000442654352 387815174 /nfs/dbraw/zinc/81/51/74/387815174.db2.gz BFIHYMWILKSGTA-NEPJUHHUSA-N 2 0 229.368 0.376 20 0 BCADRP C[C@H]([NH3+])CN1CCCN(c2cccnn2)CC1 ZINC000442655690 387815211 /nfs/dbraw/zinc/81/52/11/387815211.db2.gz CYVMCQJRWDKNKC-NSHDSACASA-N 2 0 235.335 0.336 20 0 BCADRP CCC[NH+](CCC)CCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424154372 387815445 /nfs/dbraw/zinc/81/54/45/387815445.db2.gz LQVWQNSGRIGXAW-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]([NH3+])CN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000442655590 387815496 /nfs/dbraw/zinc/81/54/96/387815496.db2.gz CULLPKFCLDALQR-GHMZBOCLSA-N 2 0 249.362 0.751 20 0 BCADRP C[C@H]([NH3+])CN1CC[NH+](CC2CCOCC2)CC1 ZINC000442665951 387818603 /nfs/dbraw/zinc/81/86/03/387818603.db2.gz RMZPXWXBFGSMRM-LBPRGKRZSA-N 2 0 241.379 0.378 20 0 BCADRP C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422968759 387819587 /nfs/dbraw/zinc/81/95/87/387819587.db2.gz XNCIJNSMXMPAOG-GVXVVHGQSA-N 2 0 222.332 0.915 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645775495 387898074 /nfs/dbraw/zinc/89/80/74/387898074.db2.gz YCMLEWHSBWOBCY-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645775494 387898420 /nfs/dbraw/zinc/89/84/20/387898420.db2.gz YCMLEWHSBWOBCY-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@@H]1CN(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])CCO1 ZINC000423085077 387878647 /nfs/dbraw/zinc/87/86/47/387878647.db2.gz JGDUDHLDGJNAAU-RWMBFGLXSA-N 2 0 243.395 0.813 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCN1CCC1 ZINC000443971056 387879177 /nfs/dbraw/zinc/87/91/77/387879177.db2.gz KMPQTYJECKJWEV-TXEJJXNPSA-N 2 0 239.363 0.681 20 0 BCADRP Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c(=O)n1C ZINC000423086558 387880724 /nfs/dbraw/zinc/88/07/24/387880724.db2.gz MDHNMPVKEBBUBO-AAEUAGOBSA-N 2 0 249.358 0.911 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NCC[N@H+]1CC=CCC1 ZINC000423095246 387884342 /nfs/dbraw/zinc/88/43/42/387884342.db2.gz LTDVYGBIVFBPTD-QWHCGFSZSA-N 2 0 223.364 0.836 20 0 BCADRP [NH3+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424175702 387884553 /nfs/dbraw/zinc/88/45/53/387884553.db2.gz OAIBJSRIZMCGHC-OLZOCXBDSA-N 2 0 247.342 0.364 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCN1CC=CCC1 ZINC000423094543 387884712 /nfs/dbraw/zinc/88/47/12/387884712.db2.gz KJDWDJUSJMLSPO-NEPJUHHUSA-N 2 0 211.353 0.964 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000236648352 387899553 /nfs/dbraw/zinc/89/95/53/387899553.db2.gz HTDLMFBHSQZXGD-QWRGUYRKSA-N 2 0 227.352 0.535 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000236785513 387905550 /nfs/dbraw/zinc/90/55/50/387905550.db2.gz YZUNEVRJOLCLQY-NSHDSACASA-N 2 0 239.363 0.492 20 0 BCADRP C[C@H]([NH2+]C[C@H](CO)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423134734 387912376 /nfs/dbraw/zinc/91/23/76/387912376.db2.gz FCBXHOUYAAVWBX-WCQGTBRESA-N 2 0 212.337 0.735 20 0 BCADRP CCC[NH2+]CCNC(=O)CC1CC[NH2+]CC1 ZINC000236905431 387913069 /nfs/dbraw/zinc/91/30/69/387913069.db2.gz JUCHFSJCHWLPIH-UHFFFAOYSA-N 2 0 227.352 0.492 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](CO)CC1CCC1 ZINC000423136984 387913274 /nfs/dbraw/zinc/91/32/74/387913274.db2.gz VPZYBXGBZRTCMB-OLZOCXBDSA-N 2 0 244.379 0.881 20 0 BCADRP C[C@@H]1CCCN(C(=O)CCC[NH3+])[C@@H]1C[NH3+] ZINC000237398013 134845601 /nfs/dbraw/zinc/84/56/01/134845601.db2.gz JGXOYDOZQGBHEN-NXEZZACHSA-N 2 0 213.325 0.311 20 0 BCADRP C[NH2+]CCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430890909 387937331 /nfs/dbraw/zinc/93/73/31/387937331.db2.gz TXONFQZHWAOYOC-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP CCN1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CC1=O ZINC000423154566 387932824 /nfs/dbraw/zinc/93/28/24/387932824.db2.gz OZFYUQCXFWBWSC-HTAVTVPLSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424216788 387933409 /nfs/dbraw/zinc/93/34/09/387933409.db2.gz JNDFMXSUFHVDRM-BWZBUEFSSA-N 2 0 235.278 0.355 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424217438 387934299 /nfs/dbraw/zinc/93/42/99/387934299.db2.gz LLWAHFQVLOYBAJ-JMJZKYOTSA-N 2 0 225.336 0.513 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424217437 387934834 /nfs/dbraw/zinc/93/48/34/387934834.db2.gz LLWAHFQVLOYBAJ-FBIMIBRVSA-N 2 0 225.336 0.513 20 0 BCADRP C[C@@H](CC(=O)N1CC[C@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000237339418 387924514 /nfs/dbraw/zinc/92/45/14/387924514.db2.gz HNACABGVFAVCNO-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423147593 387925099 /nfs/dbraw/zinc/92/50/99/387925099.db2.gz DAVDOMCELHXEIT-QNWHQSFQSA-N 2 0 241.379 0.565 20 0 BCADRP CCN1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1=O ZINC000423150191 387927219 /nfs/dbraw/zinc/92/72/19/387927219.db2.gz IIOINAYVLXUWIA-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H]2CC[NH2+]C2)CCCCC1 ZINC000237832489 387928027 /nfs/dbraw/zinc/92/80/27/387928027.db2.gz NRYWKSBTPMKEJU-SNVBAGLBSA-N 2 0 225.336 0.374 20 0 BCADRP CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)CCCC[NH3+] ZINC000423149938 387928449 /nfs/dbraw/zinc/92/84/49/387928449.db2.gz BGLFPDLQNGJGGJ-QJPTWQEYSA-N 2 0 230.352 0.897 20 0 BCADRP C[C@H]1CC2(C[N@@H+]1Cc1ncnn1C)CC[NH2+]CC2 ZINC000424288044 387952888 /nfs/dbraw/zinc/95/28/88/387952888.db2.gz JVIFNXLDRJVHTF-NSHDSACASA-N 2 0 249.362 0.779 20 0 BCADRP C[C@@H]1CC2(CN1C(=O)CC[NH3+])CC[NH2+]CC2 ZINC000424222954 387938536 /nfs/dbraw/zinc/93/85/36/387938536.db2.gz KBDRCWVBHCEGHK-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2C[NH2+]CCO2)c1 ZINC000424226746 387939782 /nfs/dbraw/zinc/93/97/82/387939782.db2.gz SHTZZXCVSWWNAQ-GFCCVEGCSA-N 2 0 249.314 0.381 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC1([NH+](C)C)CCC1 ZINC000438521643 387940353 /nfs/dbraw/zinc/94/03/53/387940353.db2.gz FAHVUQIBJGJGLP-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC1([NH+](C)C)CCC1 ZINC000438536936 387941108 /nfs/dbraw/zinc/94/11/08/387941108.db2.gz XVBQYKYLFQMMSS-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000424235927 387941491 /nfs/dbraw/zinc/94/14/91/387941491.db2.gz ITKWEEKDBRJWIN-VXGBXAGGSA-N 2 0 249.314 0.115 20 0 BCADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H](C)C[NH3+])c1 ZINC000424234872 387941958 /nfs/dbraw/zinc/94/19/58/387941958.db2.gz HJZLMLBHPYAIHI-SECBINFHSA-N 2 0 221.304 0.987 20 0 BCADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)c1 ZINC000424235917 387942626 /nfs/dbraw/zinc/94/26/26/387942626.db2.gz ITKWEEKDBRJWIN-NWDGAFQWSA-N 2 0 249.314 0.115 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000392248843 387945226 /nfs/dbraw/zinc/94/52/26/387945226.db2.gz SRTXUGMFAJZVCL-CHWSQXEVSA-N 2 0 223.364 0.965 20 0 BCADRP C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)[C@H]1CCC[NH2+]1 ZINC000423164731 387948550 /nfs/dbraw/zinc/94/85/50/387948550.db2.gz PAWNATJIAWMJSO-WRWGMCAJSA-N 2 0 212.337 0.878 20 0 BCADRP c1cn([C@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)nn1 ZINC000424299248 387958569 /nfs/dbraw/zinc/95/85/69/387958569.db2.gz DTHREFWWLWHRTA-STQMWFEESA-N 2 0 249.362 0.915 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1 ZINC000424301909 387962694 /nfs/dbraw/zinc/96/26/94/387962694.db2.gz YGKJBLATCVZAJL-NXEZZACHSA-N 2 0 209.297 0.138 20 0 BCADRP CC[N@H+]1C[C@H](N[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000423194369 387980501 /nfs/dbraw/zinc/98/05/01/387980501.db2.gz RIFYWLYSTIMCIR-TUAOUCFPSA-N 2 0 211.353 0.668 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000424333137 387977022 /nfs/dbraw/zinc/97/70/22/387977022.db2.gz LMNTWVCHDOCFIY-JTQLQIEISA-N 2 0 209.297 0.264 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423192619 387978231 /nfs/dbraw/zinc/97/82/31/387978231.db2.gz PVKGBIJJVHFCRU-UTUOFQBUSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)[C@@H]1CC1(C)C ZINC000423209755 387993704 /nfs/dbraw/zinc/99/37/04/387993704.db2.gz VMCFJICHTUBGAU-NEPJUHHUSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)[C@H]1CC1(C)C ZINC000423209756 387993881 /nfs/dbraw/zinc/99/38/81/387993881.db2.gz VMCFJICHTUBGAU-NWDGAFQWSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@H]1CCC[NH2+]C1 ZINC000423210604 387995247 /nfs/dbraw/zinc/99/52/47/387995247.db2.gz KCDOZLWINMHELK-GRYCIOLGSA-N 2 0 211.353 0.526 20 0 BCADRP Cc1cncc([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000423211046 387995597 /nfs/dbraw/zinc/99/55/97/387995597.db2.gz XTLCVEBRIVBADC-CYBMUJFWSA-N 2 0 248.374 0.946 20 0 BCADRP C[C@@H](NCCN1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000423211469 387995687 /nfs/dbraw/zinc/99/56/87/387995687.db2.gz YHLWGOWYVBIPKV-OLZOCXBDSA-N 3 0 240.395 0.012 20 0 BCADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)[C@H]1C[C@H]1C ZINC000423199756 387985948 /nfs/dbraw/zinc/98/59/48/387985948.db2.gz CMKJBOMYYXUYLS-WOPDTQHZSA-N 2 0 211.353 0.526 20 0 BCADRP C[C@@H](NC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423215332 387997064 /nfs/dbraw/zinc/99/70/64/387997064.db2.gz QJWMBNUWWYDFLR-WOPDTQHZSA-N 2 0 211.353 0.716 20 0 BCADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C2)[C@H]2CCC[C@H]21 ZINC000423217919 388000351 /nfs/dbraw/zinc/00/03/51/388000351.db2.gz STSMDFUDXQTYRF-FVCCEPFGSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424387306 388001596 /nfs/dbraw/zinc/00/15/96/388001596.db2.gz YMXWDIVSRJJBCK-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP COc1ccnc(C[NH2+]C2CCC([NH3+])CC2)n1 ZINC000424383056 388001674 /nfs/dbraw/zinc/00/16/74/388001674.db2.gz SVIOXLBGLWWBAQ-UHFFFAOYSA-N 2 0 236.319 0.845 20 0 BCADRP C[NH2+]CCN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423222208 388002756 /nfs/dbraw/zinc/00/27/56/388002756.db2.gz AFMOLAURXMYNRC-HBNTYKKESA-N 2 0 212.337 0.999 20 0 BCADRP C[C@H](C[NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889471 388005883 /nfs/dbraw/zinc/00/58/83/388005883.db2.gz KSVJQKWBBGINKI-SECBINFHSA-N 2 0 245.286 0.801 20 0 BCADRP COCCN(C)CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000159356822 388009046 /nfs/dbraw/zinc/00/90/46/388009046.db2.gz OQQPITJIDSLWRF-STQMWFEESA-N 2 0 243.395 0.494 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000156617022 388011581 /nfs/dbraw/zinc/01/15/81/388011581.db2.gz WEVZKWFKILNGDC-VXGBXAGGSA-N 2 0 241.379 0.912 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1CCC[NH2+]1 ZINC000423230015 388015103 /nfs/dbraw/zinc/01/51/03/388015103.db2.gz CNPRRNLUVMKDRB-SDDRHHMPSA-N 2 0 211.353 0.846 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCC[NH2+]1 ZINC000423230016 388015570 /nfs/dbraw/zinc/01/55/70/388015570.db2.gz CNPRRNLUVMKDRB-SRVKXCTJSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@H]1C[C@H](N(C)C(=O)[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000446374967 388017207 /nfs/dbraw/zinc/01/72/07/388017207.db2.gz RVEFRBQVHMUWCM-SDDRHHMPSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC[NH2+]1 ZINC000446398312 388018834 /nfs/dbraw/zinc/01/88/34/388018834.db2.gz XNVNXIKOQHVCNL-LOWVWBTDSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]CCCC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000082257056 388019597 /nfs/dbraw/zinc/01/95/97/388019597.db2.gz DZNFTLWTMFCXAN-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP CC[NH2+]CCN[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423252680 388033280 /nfs/dbraw/zinc/03/32/80/388033280.db2.gz YAPFMJFYFWWYCU-JQWIXIFHSA-N 2 0 211.353 0.668 20 0 BCADRP CC[NH2+]CCN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423252674 388034294 /nfs/dbraw/zinc/03/42/94/388034294.db2.gz YAPFMJFYFWWYCU-CMPLNLGQSA-N 2 0 211.353 0.668 20 0 BCADRP CC(C)C[C@H](C[NH3+])N[C@@H]1C[N@H+](C)C[C@H]1C ZINC000423262666 388040506 /nfs/dbraw/zinc/04/05/06/388040506.db2.gz NCRRWYYDAUMBJU-IJLUTSLNSA-N 2 0 213.369 0.900 20 0 BCADRP Cn1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)nn1 ZINC000446886931 388043797 /nfs/dbraw/zinc/04/37/97/388043797.db2.gz LVZKIYJULQDNII-UHFFFAOYSA-N 2 0 249.362 0.779 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H]2CCC[NH2+]2)C1 ZINC000423244458 388028885 /nfs/dbraw/zinc/02/88/85/388028885.db2.gz XNZPYUYKRNKLMG-QJPTWQEYSA-N 2 0 211.353 0.668 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000645892955 388030261 /nfs/dbraw/zinc/03/02/61/388030261.db2.gz RMBPNFILPLTRPL-MNOVXSKESA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)[C@H](O)C(F)F ZINC000453266006 388030371 /nfs/dbraw/zinc/03/03/71/388030371.db2.gz DTJQMMNIENDQDT-RGOKHQFPSA-N 2 0 236.306 0.931 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000453370166 388054972 /nfs/dbraw/zinc/05/49/72/388054972.db2.gz QPNJGTHSBWJSDV-CSYMLDBXSA-N 2 0 212.337 0.828 20 0 BCADRP C[C@@H]1CCNC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423278170 388060509 /nfs/dbraw/zinc/06/05/09/388060509.db2.gz QRDJZFOQJFSKAE-JHJVBQTASA-N 2 0 225.380 0.964 20 0 BCADRP CC(C)C[NH+]1CCC(NC(=O)C[NH3+])CC1 ZINC000083889458 388064731 /nfs/dbraw/zinc/06/47/31/388064731.db2.gz LCXUJGVMKHRJHY-UHFFFAOYSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000447438083 388072343 /nfs/dbraw/zinc/07/23/43/388072343.db2.gz FTXMYCIJHUQGMJ-GWCFXTLKSA-N 2 0 235.331 0.714 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)C[C@H](C[NH3+])OC ZINC000447442059 388072509 /nfs/dbraw/zinc/07/25/09/388072509.db2.gz QPODDYHWRQXFDR-LLVKDONJSA-N 2 0 245.367 0.198 20 0 BCADRP C[C@H]1C[C@H](NCC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000423287962 388072873 /nfs/dbraw/zinc/07/28/73/388072873.db2.gz PQTKALWLFOISSO-UWVGGRQHSA-N 2 0 211.353 0.939 20 0 BCADRP C[C@@H]1C[C@H](NCC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000423287964 388073156 /nfs/dbraw/zinc/07/31/56/388073156.db2.gz PQTKALWLFOISSO-ZJUUUORDSA-N 2 0 211.353 0.939 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000447514876 388076056 /nfs/dbraw/zinc/07/60/56/388076056.db2.gz ILSLYOSNLJWUTC-GRYCIOLGSA-N 2 0 241.379 0.829 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645977069 388112975 /nfs/dbraw/zinc/11/29/75/388112975.db2.gz SMEBZFBEIGLXMP-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423266602 388045952 /nfs/dbraw/zinc/04/59/52/388045952.db2.gz DKPLJLZOLLJIPQ-SRVKXCTJSA-N 3 0 213.369 0.820 20 0 BCADRP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000449242267 388160666 /nfs/dbraw/zinc/16/06/66/388160666.db2.gz DZLBVCGJRXAJSM-VWYCJHECSA-N 2 0 230.377 0.394 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000646195862 388162382 /nfs/dbraw/zinc/16/23/82/388162382.db2.gz LGPPUDRVHBAIHC-DCAQKATOSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NC1CCC([NH3+])CC1 ZINC000646198735 388162871 /nfs/dbraw/zinc/16/28/71/388162871.db2.gz IWEFINKWURQRQM-MFQSTILNSA-N 2 0 242.367 0.681 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)CCC[NH3+] ZINC000646215841 388166748 /nfs/dbraw/zinc/16/67/48/388166748.db2.gz KIILQKUCAWMSMF-DTWKUNHWSA-N 2 0 216.329 0.102 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000646216663 388167117 /nfs/dbraw/zinc/16/71/17/388167117.db2.gz MJLGECRWFAIXHC-UKKRHICBSA-N 2 0 242.367 0.681 20 0 BCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C2([NH3+])CCC2)C1 ZINC000449322924 388172805 /nfs/dbraw/zinc/17/28/05/388172805.db2.gz ZWXKWCSHLIFUED-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449336547 388175301 /nfs/dbraw/zinc/17/53/01/388175301.db2.gz NZVXZRHBVXOAKE-VXGBXAGGSA-N 2 0 241.379 0.690 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000449356532 388180924 /nfs/dbraw/zinc/18/09/24/388180924.db2.gz ADAQDKRELRYNTJ-YUSALJHKSA-N 2 0 237.347 0.195 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000449358163 388181629 /nfs/dbraw/zinc/18/16/29/388181629.db2.gz FBZOGQDQMMNFKQ-JQWIXIFHSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](C)C[NH3+] ZINC000449359270 388181727 /nfs/dbraw/zinc/18/17/27/388181727.db2.gz PRBSAJLQKVVIQE-UWVGGRQHSA-N 2 0 229.368 0.722 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000488503325 388183119 /nfs/dbraw/zinc/18/31/19/388183119.db2.gz UKIRAIUTIDFJOQ-GARJFASQSA-N 2 0 227.352 0.250 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000449368031 388184358 /nfs/dbraw/zinc/18/43/58/388184358.db2.gz BMQSLQBAUURSJF-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@H](C)CC[NH3+] ZINC000449372414 388185333 /nfs/dbraw/zinc/18/53/33/388185333.db2.gz HQBHPIZUOWLZRT-ZYHUDNBSSA-N 2 0 235.331 0.848 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1CC[NH2+]1 ZINC000646012290 388124328 /nfs/dbraw/zinc/12/43/28/388124328.db2.gz KZOCOOXCKCWXHT-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000449060521 388137234 /nfs/dbraw/zinc/13/72/34/388137234.db2.gz STORYDFXJCOTNU-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H](NC(=O)COCC[NH3+])C(C)(C)C[NH+](C)C ZINC000646074543 388137346 /nfs/dbraw/zinc/13/73/46/388137346.db2.gz BVSOTJFCMFCJFR-SNVBAGLBSA-N 2 0 245.367 0.054 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)CC[N@@H+]1C ZINC000646077539 388138169 /nfs/dbraw/zinc/13/81/69/388138169.db2.gz UASMMDYZHVVVST-VWYCJHECSA-N 2 0 239.363 0.583 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449065096 388138532 /nfs/dbraw/zinc/13/85/32/388138532.db2.gz XPDGFRDXZROKAQ-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000449071885 388139123 /nfs/dbraw/zinc/13/91/23/388139123.db2.gz IWNVROSXCADLHZ-MNOVXSKESA-N 2 0 241.379 0.879 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000449098301 388141926 /nfs/dbraw/zinc/14/19/26/388141926.db2.gz PFRVEJGEZVLGBK-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449099725 388142031 /nfs/dbraw/zinc/14/20/31/388142031.db2.gz OWYDPFGCJNBXCG-HBNTYKKESA-N 2 0 227.352 0.748 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000449097226 388142138 /nfs/dbraw/zinc/14/21/38/388142138.db2.gz CGZDSZOCLNPRGW-SECBINFHSA-N 2 0 215.341 0.346 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000449127031 388142319 /nfs/dbraw/zinc/14/23/19/388142319.db2.gz VNGVLJGYJZBJPH-VHSXEESVSA-N 2 0 215.341 0.474 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449102399 388143152 /nfs/dbraw/zinc/14/31/52/388143152.db2.gz JOVIOXCNBVNRCP-GHMZBOCLSA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)(C[NH3+])NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449108397 388143793 /nfs/dbraw/zinc/14/37/93/388143793.db2.gz UPXKPTZHRZTAHS-UWVGGRQHSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC000449115890 388144563 /nfs/dbraw/zinc/14/45/63/388144563.db2.gz NMQTXXKOVSISCG-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]([NH3+])c1ccccc1C ZINC000449116500 388144712 /nfs/dbraw/zinc/14/47/12/388144712.db2.gz PVXREZDIQWTMFO-ZWNOBZJWSA-N 2 0 249.358 0.967 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC1CC[NH+](C)CC1 ZINC000449113561 388144952 /nfs/dbraw/zinc/14/49/52/388144952.db2.gz GVUCUCNGUXBWCO-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000449119946 388145180 /nfs/dbraw/zinc/14/51/80/388145180.db2.gz BCXAIJQTZBUEOI-QCNOEVLYSA-N 2 0 239.363 0.428 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449121679 388145307 /nfs/dbraw/zinc/14/53/07/388145307.db2.gz INBAFZLUOREMDE-SDDRHHMPSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000449119332 388145376 /nfs/dbraw/zinc/14/53/76/388145376.db2.gz YDJRYGGQAAAVLX-GXSJLCMTSA-N 2 0 227.352 0.617 20 0 BCADRP CC(C)([NH3+])CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449131492 388145403 /nfs/dbraw/zinc/14/54/03/388145403.db2.gz MZNQKECHIDNUPN-VHSXEESVSA-N 2 0 227.352 0.748 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000449118330 388145462 /nfs/dbraw/zinc/14/54/62/388145462.db2.gz RULBCKVOBVSDCO-UWVGGRQHSA-N 2 0 229.368 0.816 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449123266 388145613 /nfs/dbraw/zinc/14/56/13/388145613.db2.gz NNQHZTZQCBNICO-LLVKDONJSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000449122426 388145646 /nfs/dbraw/zinc/14/56/46/388145646.db2.gz LIXULBJNKNHSRD-ATZCPNFKSA-N 2 0 225.336 0.371 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000449118331 388145771 /nfs/dbraw/zinc/14/57/71/388145771.db2.gz RULBCKVOBVSDCO-VHSXEESVSA-N 2 0 229.368 0.816 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000449125251 388146332 /nfs/dbraw/zinc/14/63/32/388146332.db2.gz IRCOSNOKGYBPPO-QWRGUYRKSA-N 2 0 241.379 0.864 20 0 BCADRP CCC[NH+]1CCC([NH2+]CCCOCCO)CC1 ZINC000162313928 388147426 /nfs/dbraw/zinc/14/74/26/388147426.db2.gz LWLFQNWGLUIPTO-UHFFFAOYSA-N 2 0 244.379 0.849 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449144279 388148240 /nfs/dbraw/zinc/14/82/40/388148240.db2.gz SKPDWHHWYUVHMB-KOLCDFICSA-N 2 0 227.352 0.761 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)[NH2+]C1CC1 ZINC000449145834 388148593 /nfs/dbraw/zinc/14/85/93/388148593.db2.gz MIOVLSGITQXQTN-ONGXEEELSA-N 2 0 225.336 0.337 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000449148947 388148833 /nfs/dbraw/zinc/14/88/33/388148833.db2.gz VNTCYRQOYNQLHC-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH3+] ZINC000449165302 388151792 /nfs/dbraw/zinc/15/17/92/388151792.db2.gz VENJASJSWXUBLV-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000449175330 388153290 /nfs/dbraw/zinc/15/32/90/388153290.db2.gz JRLNBYQMPFNEIH-GARJFASQSA-N 2 0 227.352 0.583 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000449175332 388153496 /nfs/dbraw/zinc/15/34/96/388153496.db2.gz JRLNBYQMPFNEIH-HBNTYKKESA-N 2 0 227.352 0.583 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC[NH+](C)C ZINC000449184771 388155099 /nfs/dbraw/zinc/15/50/99/388155099.db2.gz IHUVHBDOBOONEJ-SECBINFHSA-N 2 0 201.314 0.052 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449661712 388249666 /nfs/dbraw/zinc/24/96/66/388249666.db2.gz CYKRJNZYKLHBPQ-VIFPVBQESA-N 2 0 249.305 0.442 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449665130 388250555 /nfs/dbraw/zinc/25/05/55/388250555.db2.gz MQBQMTUOWGXXAW-BDAKNGLRSA-N 2 0 249.305 0.331 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449665133 388250730 /nfs/dbraw/zinc/25/07/30/388250730.db2.gz MQBQMTUOWGXXAW-RKDXNWHRSA-N 2 0 249.305 0.331 20 0 BCADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCOC1 ZINC000165909373 388253410 /nfs/dbraw/zinc/25/34/10/388253410.db2.gz QMUBKIZXGIQVKF-UMNHJUIQSA-N 2 0 210.321 0.848 20 0 BCADRP CC[C@@](C)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)OC ZINC000322988531 388258062 /nfs/dbraw/zinc/25/80/62/388258062.db2.gz CGJIVWQLTNACBF-STQMWFEESA-N 2 0 244.379 0.848 20 0 BCADRP CCN1C[C@H](C)[C@H]([NH2+]CC[C@@](C)(O)COC)C1 ZINC000449386338 388190512 /nfs/dbraw/zinc/19/05/12/388190512.db2.gz TWAYBHPDYMGCAB-YNEHKIRRSA-N 2 0 244.379 0.704 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449389276 388192291 /nfs/dbraw/zinc/19/22/91/388192291.db2.gz CKLJJLZBDLWVKE-BXUZGUMPSA-N 2 0 247.342 0.381 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[N@H+](C)CC1 ZINC000449397499 388194376 /nfs/dbraw/zinc/19/43/76/388194376.db2.gz VJVRHOTYINZERA-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000449402237 388195140 /nfs/dbraw/zinc/19/51/40/388195140.db2.gz QEVXDAVEUSGCOX-YWVKMMECSA-N 2 0 225.336 0.241 20 0 BCADRP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCCOC3)C[C@@H]2C1 ZINC000488785574 388195184 /nfs/dbraw/zinc/19/51/84/388195184.db2.gz RSRKCZCMETZEQA-RWMBFGLXSA-N 2 0 224.348 0.906 20 0 BCADRP Cc1ccncc1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397025944 388259204 /nfs/dbraw/zinc/25/92/04/388259204.db2.gz MYWWDRZOICIDFB-UHFFFAOYSA-N 2 0 235.331 0.676 20 0 BCADRP CCCN(C(=O)CC[NH2+]C(C)C)[C@@H]1CC[NH2+]C1 ZINC000517900037 256553926 /nfs/dbraw/zinc/55/39/26/256553926.db2.gz PAVJXNMNFVWCOX-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000449491046 388218289 /nfs/dbraw/zinc/21/82/89/388218289.db2.gz DYMKZQQPCGPHLT-AXFHLTTASA-N 2 0 227.352 0.631 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000646320386 388221531 /nfs/dbraw/zinc/22/15/31/388221531.db2.gz FQTRTGYIUAPKSL-JQWIXIFHSA-N 2 0 225.336 0.326 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000646320692 388221650 /nfs/dbraw/zinc/22/16/50/388221650.db2.gz YOVRHEGKDGQQHY-ZWNOBZJWSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@@H](C[NH3+])C(C)(C)C)CC1 ZINC000518192778 256561177 /nfs/dbraw/zinc/56/11/77/256561177.db2.gz QNJCXQIDKSRZCU-NSHDSACASA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000449536129 388226230 /nfs/dbraw/zinc/22/62/30/388226230.db2.gz PBEDATNPBSPIBR-OUAUKWLOSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000449590649 388239087 /nfs/dbraw/zinc/23/90/87/388239087.db2.gz LLWSIJAEYKDTMH-OUJBWJOFSA-N 2 0 247.342 0.553 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000646331799 388239154 /nfs/dbraw/zinc/23/91/54/388239154.db2.gz XXDRMIDGQHNCKP-UTUOFQBUSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)[C@H](C)[NH3+] ZINC000449599266 388240004 /nfs/dbraw/zinc/24/00/04/388240004.db2.gz FZYSYWOJDATGCA-IQJOONFLSA-N 2 0 213.325 0.371 20 0 BCADRP CC[C@]1(C(=O)N[C@@H](C)[C@H](C)[NH3+])CCC[NH2+]1 ZINC000449601700 388240077 /nfs/dbraw/zinc/24/00/77/388240077.db2.gz NRDCKPYNASRNLB-ATZCPNFKSA-N 2 0 213.325 0.371 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449603192 388240188 /nfs/dbraw/zinc/24/01/88/388240188.db2.gz QMZYESQQQMYACY-RKDXNWHRSA-N 2 0 215.341 0.603 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449603190 388240284 /nfs/dbraw/zinc/24/02/84/388240284.db2.gz QMZYESQQQMYACY-DTWKUNHWSA-N 2 0 215.341 0.603 20 0 BCADRP CC[C@]1(C(=O)N[C@H](C)[C@H](C)[NH3+])CCC[NH2+]1 ZINC000449601702 388240312 /nfs/dbraw/zinc/24/03/12/388240312.db2.gz NRDCKPYNASRNLB-IQJOONFLSA-N 2 0 213.325 0.371 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000449608639 388241228 /nfs/dbraw/zinc/24/12/28/388241228.db2.gz JCDHAHBRTMKUPZ-GXSJLCMTSA-N 2 0 213.325 0.372 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH3+])CC ZINC000449608569 388241275 /nfs/dbraw/zinc/24/12/75/388241275.db2.gz IKABFTBXTUWDAO-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)C1(C[NH3+])CCCC1)C(F)F ZINC000449608184 388241292 /nfs/dbraw/zinc/24/12/92/388241292.db2.gz FUAQUNIIHKEMGI-MRVPVSSYSA-N 2 0 249.305 0.604 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000449611389 388242173 /nfs/dbraw/zinc/24/21/73/388242173.db2.gz VLTXYVVPVMNAKN-DCAQKATOSA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000449609603 388242241 /nfs/dbraw/zinc/24/22/41/388242241.db2.gz NUVYTPCTJMCDHU-KOLCDFICSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449610971 388242359 /nfs/dbraw/zinc/24/23/59/388242359.db2.gz SXGGDLBPMCZFOP-DCAQKATOSA-N 2 0 227.352 0.748 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000449611390 388242475 /nfs/dbraw/zinc/24/24/75/388242475.db2.gz VLTXYVVPVMNAKN-MXWKQRLJSA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000449608912 388242511 /nfs/dbraw/zinc/24/25/11/388242511.db2.gz LJAVFVBJGHHGSM-NXEZZACHSA-N 2 0 215.341 0.426 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000449611391 388243396 /nfs/dbraw/zinc/24/33/96/388243396.db2.gz VLTXYVVPVMNAKN-OUAUKWLOSA-N 2 0 227.352 0.713 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)C1CC([NH3+])C1 ZINC000449633302 388246016 /nfs/dbraw/zinc/24/60/16/388246016.db2.gz PEZMPSMKZCQNCZ-UHFFFAOYSA-N 2 0 213.325 0.276 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)C1CC([NH3+])C1 ZINC000449637168 388247339 /nfs/dbraw/zinc/24/73/39/388247339.db2.gz YJDURCGTZMRIOX-ILDUYXDCSA-N 2 0 241.379 0.959 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449645163 388247612 /nfs/dbraw/zinc/24/76/12/388247612.db2.gz LGJPCIGXFIDRPZ-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449643509 388247975 /nfs/dbraw/zinc/24/79/75/388247975.db2.gz IDXWYWRFHIYTIJ-UTUOFQBUSA-N 2 0 241.379 0.851 20 0 BCADRP C[C@H]1CC[C@H](C[NH+]2CCC(O)(C[NH3+])CC2)O1 ZINC000397060937 388284491 /nfs/dbraw/zinc/28/44/91/388284491.db2.gz PTZOEYHMWBUPKB-WDEREUQCSA-N 2 0 228.336 0.340 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000518982195 256640864 /nfs/dbraw/zinc/64/08/64/256640864.db2.gz PPFVTCOHBMGUMJ-OPJUYDIESA-N 2 0 237.347 0.356 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)c1ccccc1CC[NH3+] ZINC000518787634 256612069 /nfs/dbraw/zinc/61/20/69/256612069.db2.gz QJMHTXQLIASZMH-JTQLQIEISA-N 2 0 235.331 0.655 20 0 BCADRP CN(CC[NH+]1CCCC1)C(=O)/C=C/C[NH+](C)C ZINC000491910430 388327427 /nfs/dbraw/zinc/32/74/27/388327427.db2.gz YYWIGHXGSROOGJ-VOTSOKGWSA-N 2 0 239.363 0.658 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336161 388261734 /nfs/dbraw/zinc/26/17/34/388261734.db2.gz JRPFSXAEDDPSHL-NWDGAFQWSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646336004 388261947 /nfs/dbraw/zinc/26/19/47/388261947.db2.gz FMCHKZOETMXOMY-GMTAPVOTSA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953486 388269730 /nfs/dbraw/zinc/26/97/30/388269730.db2.gz VUUINCBMAJPNDP-VXGBXAGGSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)/C=C/C[NH+](C)C ZINC000492284497 388340446 /nfs/dbraw/zinc/34/04/46/388340446.db2.gz RAHSVDGSTJLTLQ-BYAJROORSA-N 2 0 239.363 0.655 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000646368009 388346583 /nfs/dbraw/zinc/34/65/83/388346583.db2.gz LVKPVJNAZMFFQW-FIQHERPVSA-N 2 0 237.347 0.182 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000646368010 388346656 /nfs/dbraw/zinc/34/66/56/388346656.db2.gz LVKPVJNAZMFFQW-IRCOFANPSA-N 2 0 237.347 0.182 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000646367981 388346673 /nfs/dbraw/zinc/34/66/73/388346673.db2.gz JMGJSWBZXWZMHB-NWDGAFQWSA-N 2 0 239.363 0.442 20 0 BCADRP NC(=O)CC[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230027401 388348432 /nfs/dbraw/zinc/34/84/32/388348432.db2.gz SGHXDISFHXYHKD-UHFFFAOYSA-N 2 0 235.331 0.713 20 0 BCADRP CC(C)[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086404896 388349203 /nfs/dbraw/zinc/34/92/03/388349203.db2.gz OUWOZHQYHNTFTC-GMTAPVOTSA-N 2 0 200.326 0.863 20 0 BCADRP CC(C)[NH2+]CCC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000520770926 256690478 /nfs/dbraw/zinc/69/04/78/256690478.db2.gz AHFOLKWTTFTNNN-LBPRGKRZSA-N 2 0 239.363 0.727 20 0 BCADRP O=C(CC[NH2+]C1CC1)NCC1=CC[NH2+]CC1 ZINC000516979811 256696572 /nfs/dbraw/zinc/69/65/72/256696572.db2.gz QJSXAIJTCSWLGA-UHFFFAOYSA-N 2 0 223.320 0.164 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000516584006 388358082 /nfs/dbraw/zinc/35/80/82/388358082.db2.gz MFKALVOCXKJLDY-GMTAPVOTSA-N 2 0 237.347 0.609 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000572603496 388361334 /nfs/dbraw/zinc/36/13/34/388361334.db2.gz HHUYRNDVEGIDSY-GMXVVIOVSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000572618681 388361527 /nfs/dbraw/zinc/36/15/27/388361527.db2.gz APJQYTDMTIKSEQ-VWYCJHECSA-N 2 0 240.351 0.260 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000300366776 388362631 /nfs/dbraw/zinc/36/26/31/388362631.db2.gz GVSGZDGDCZISDY-SDDRHHMPSA-N 2 0 211.353 0.940 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000572644989 388363431 /nfs/dbraw/zinc/36/34/31/388363431.db2.gz SNRNSDLYUCDYMZ-RNFRBKRXSA-N 2 0 241.257 0.366 20 0 BCADRP O=C(CC1CC[NH2+]CC1)NCC[C@H]1CC[NH2+]C1 ZINC000572640061 388363640 /nfs/dbraw/zinc/36/36/40/388363640.db2.gz SYCHRFNOANNDNP-GFCCVEGCSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000235106255 388365106 /nfs/dbraw/zinc/36/51/06/388365106.db2.gz AXRKWBIPGXAMKT-SRVKXCTJSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC(C)(C)C[NH3+] ZINC000572759353 388373131 /nfs/dbraw/zinc/37/31/31/388373131.db2.gz ATJUVDQIOQNZIM-JGVFFNPUSA-N 2 0 216.329 0.149 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000572764599 388374215 /nfs/dbraw/zinc/37/42/15/388374215.db2.gz CFOITGZQOHHSCP-SCVCMEIPSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000572760819 388374608 /nfs/dbraw/zinc/37/46/08/388374608.db2.gz CUTIOVWVTWRASV-UTLUCORTSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](NC(=O)[C@H]1C[NH2+]Cc2ccccc21)[C@H](C)[NH3+] ZINC000572760864 388374740 /nfs/dbraw/zinc/37/47/40/388374740.db2.gz GNRHGJZPPGJFDJ-CWSCBRNRSA-N 2 0 247.342 0.725 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000646533824 388377552 /nfs/dbraw/zinc/37/75/52/388377552.db2.gz CLWHOLNRHXKALJ-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C[NH2+]C1CC1 ZINC000519634771 256654156 /nfs/dbraw/zinc/65/41/56/256654156.db2.gz MHXQOSAZMRAFES-NSHDSACASA-N 2 0 239.363 0.633 20 0 BCADRP Cc1noc(CCC[NH+]2CCC(C[NH3+])CC2)n1 ZINC000519652401 256654728 /nfs/dbraw/zinc/65/47/28/256654728.db2.gz LHVMIKWPCWORJB-UHFFFAOYSA-N 2 0 238.335 0.981 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000519712138 256657701 /nfs/dbraw/zinc/65/77/01/256657701.db2.gz LJARQLKHFWYJFQ-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000236738253 388382536 /nfs/dbraw/zinc/38/25/36/388382536.db2.gz GEMXMSIMORSQGY-VHSXEESVSA-N 2 0 213.325 0.228 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000236764039 388382560 /nfs/dbraw/zinc/38/25/60/388382560.db2.gz MGGUKHOLZFJOMF-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000572878459 388383045 /nfs/dbraw/zinc/38/30/45/388383045.db2.gz HYFSWRNLDRRLMC-MDZLAQPJSA-N 2 0 239.363 0.620 20 0 BCADRP CCO[C@@H]1C[C@H]1[NH2+][C@@H](CCC[NH3+])COC ZINC000519762347 256658723 /nfs/dbraw/zinc/65/87/23/256658723.db2.gz INPIPZDBJKXAHT-HBNTYKKESA-N 2 0 216.325 0.507 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236797138 388383805 /nfs/dbraw/zinc/38/38/05/388383805.db2.gz MDEWQBWIQWUSTB-NXEZZACHSA-N 2 0 213.325 0.372 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000236861514 388384222 /nfs/dbraw/zinc/38/42/22/388384222.db2.gz NZEWVYUTHAMKCO-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C(C)C ZINC000236861851 388384336 /nfs/dbraw/zinc/38/43/36/388384336.db2.gz UEXFMSQOLDKMQG-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@@H](C)C[NH2+]C ZINC000236842227 388384720 /nfs/dbraw/zinc/38/47/20/388384720.db2.gz PNMUPLNGOYOWBO-JTQLQIEISA-N 2 0 215.341 0.300 20 0 BCADRP C[C@](C[NH3+])(NC(=O)CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000519821675 256661238 /nfs/dbraw/zinc/66/12/38/256661238.db2.gz DGALUUFNEAUFIQ-GXFFZTMASA-N 2 0 239.363 0.620 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000646574538 388386408 /nfs/dbraw/zinc/38/64/08/388386408.db2.gz PIAFUHQGIGTYMG-LLVKDONJSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000646578203 388387735 /nfs/dbraw/zinc/38/77/35/388387735.db2.gz PLRKNFROVOQLRQ-WDEREUQCSA-N 2 0 239.363 0.442 20 0 BCADRP CO[C@H](C[NH3+])CC(=O)Nc1cccc(C[NH3+])c1 ZINC000646578723 388388925 /nfs/dbraw/zinc/38/89/25/388388925.db2.gz BYLHUNWQRAKJOX-NSHDSACASA-N 2 0 237.303 0.448 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000237042908 388389222 /nfs/dbraw/zinc/38/92/22/388389222.db2.gz FMZPHROJMMDADC-WCQGTBRESA-N 2 0 241.379 0.816 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000237126610 388389455 /nfs/dbraw/zinc/38/94/55/388389455.db2.gz SOQLNQFTWBDFNS-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000237126667 388390117 /nfs/dbraw/zinc/39/01/17/388390117.db2.gz SOQLNQFTWBDFNS-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC000237311732 388392984 /nfs/dbraw/zinc/39/29/84/388392984.db2.gz YHCZKKFDCJYSMU-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H](NC(=O)CC1([NH3+])CCC1)[C@H]1CCC[NH2+]C1 ZINC000646664079 388406659 /nfs/dbraw/zinc/40/66/59/388406659.db2.gz PIJMYJWGKWBLMK-MNOVXSKESA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]C1(C(=O)NCC[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000237795537 388397977 /nfs/dbraw/zinc/39/79/77/388397977.db2.gz DAAQBQDXRGMITB-NSHDSACASA-N 2 0 239.363 0.764 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CCC[NH2+]C1 ZINC000237768991 388398196 /nfs/dbraw/zinc/39/81/96/388398196.db2.gz FTXJWSUEZYLWCD-WZRBSPASSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@]1(C(=O)N[C@@H](C[NH3+])C2CC2)CCC[NH2+]C1 ZINC000237768431 388398361 /nfs/dbraw/zinc/39/83/61/388398361.db2.gz JGTHNWNPADBSIV-JQWIXIFHSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)C[NH3+] ZINC000237677197 388398509 /nfs/dbraw/zinc/39/85/09/388398509.db2.gz HEAQAZYBATYVOQ-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC000572959581 388399135 /nfs/dbraw/zinc/39/91/35/388399135.db2.gz YBBRWMBNBNXBML-WCQGTBRESA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000646644571 388400383 /nfs/dbraw/zinc/40/03/83/388400383.db2.gz FMKJWMPUZSYGMU-UTUOFQBUSA-N 2 0 239.363 0.490 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000646649668 388402014 /nfs/dbraw/zinc/40/20/14/388402014.db2.gz QDKKWCMEPMFGLU-DMDPSCGWSA-N 2 0 237.347 0.244 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H]1CCCC[NH2+]1 ZINC000646649547 388402158 /nfs/dbraw/zinc/40/21/58/388402158.db2.gz LCZAIQFRYMJTSF-RYUDHWBXSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000646649646 388402188 /nfs/dbraw/zinc/40/21/88/388402188.db2.gz PIMNKIHNTQRKHW-SDDRHHMPSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000646664085 388407090 /nfs/dbraw/zinc/40/70/90/388407090.db2.gz QBUVSHMJRGSKDN-TUAOUCFPSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[C@@H](C)[NH3+] ZINC000515058894 256732274 /nfs/dbraw/zinc/73/22/74/256732274.db2.gz HEUIBHUNQRZUAS-KKOKHZNYSA-N 2 0 241.379 0.720 20 0 BCADRP [NH3+]CCOCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000646735576 388446055 /nfs/dbraw/zinc/44/60/55/388446055.db2.gz AUSPKKAGBBQOMX-UHFFFAOYSA-N 2 0 249.314 0.246 20 0 BCADRP [NH3+][C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CCC1 ZINC000335045259 388448372 /nfs/dbraw/zinc/44/83/72/388448372.db2.gz MXHKVNHBKUZTNN-RYUDHWBXSA-N 2 0 237.347 0.420 20 0 BCADRP CC(C)[C@H](CO)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000394058194 388449688 /nfs/dbraw/zinc/44/96/88/388449688.db2.gz VLDJYCVHYJGMTE-WOPDTQHZSA-N 2 0 214.353 0.968 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000194887572 388454619 /nfs/dbraw/zinc/45/46/19/388454619.db2.gz MEHFBEFVWYYYKP-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000649270791 388480968 /nfs/dbraw/zinc/48/09/68/388480968.db2.gz XRCZXGCCHKLZBQ-ZJUUUORDSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000336268642 388456714 /nfs/dbraw/zinc/45/67/14/388456714.db2.gz ZUXOZINYIKLTSO-RYUDHWBXSA-N 2 0 211.353 0.657 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000515402528 256745286 /nfs/dbraw/zinc/74/52/86/256745286.db2.gz XQAGXUPPGDFVKO-GFCCVEGCSA-N 2 0 227.352 0.633 20 0 BCADRP C[C@@H](O)CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336659945 388460093 /nfs/dbraw/zinc/46/00/93/388460093.db2.gz BRCROGVSYSKJCR-VXGBXAGGSA-N 2 0 212.337 0.785 20 0 BCADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)[C@H](C)O ZINC000514861406 388460185 /nfs/dbraw/zinc/46/01/85/388460185.db2.gz FQHUSWVSACSWAE-AGIUHOORSA-N 2 0 244.379 0.582 20 0 BCADRP C[N@H+](C[C@H](O)CN1CCC[C@](C)(O)C1)C1CC1 ZINC000336716929 388467896 /nfs/dbraw/zinc/46/78/96/388467896.db2.gz QDRIOYFHFKNRGM-STQMWFEESA-N 2 0 242.363 0.288 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000646670278 388410866 /nfs/dbraw/zinc/41/08/66/388410866.db2.gz QTOHZZOFHFDCID-JTQLQIEISA-N 2 0 244.298 0.755 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000646672793 388411835 /nfs/dbraw/zinc/41/18/35/388411835.db2.gz ONBSIXMGTUPGRV-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040458540 388416350 /nfs/dbraw/zinc/41/63/50/388416350.db2.gz LJAOINBBKVBCJO-SECBINFHSA-N 2 0 215.341 0.428 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000646688518 388416994 /nfs/dbraw/zinc/41/69/94/388416994.db2.gz MJRXFNRHXRKATE-CMPLNLGQSA-N 2 0 241.379 0.946 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000646713444 388426900 /nfs/dbraw/zinc/42/69/00/388426900.db2.gz LQNZOOKCBNHBAS-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000646713767 388427749 /nfs/dbraw/zinc/42/77/49/388427749.db2.gz YFRRZHIMSRZCEG-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000646718537 388430679 /nfs/dbraw/zinc/43/06/79/388430679.db2.gz XYQZYFGDYMURQM-LLVKDONJSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000646718538 388430778 /nfs/dbraw/zinc/43/07/78/388430778.db2.gz XYQZYFGDYMURQM-NSHDSACASA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000573205488 388431351 /nfs/dbraw/zinc/43/13/51/388431351.db2.gz VEBHPKIWFDTWSL-UWVGGRQHSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000514857579 256722706 /nfs/dbraw/zinc/72/27/06/256722706.db2.gz YRHMSRIJYOYAIS-PWSUYJOCSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC2)CC[N@@H+]1C ZINC000648837898 388434973 /nfs/dbraw/zinc/43/49/73/388434973.db2.gz JQYZORQVWCSGJQ-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP C[C@H](NC(=O)[C@H](C)[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000649270234 388480086 /nfs/dbraw/zinc/48/00/86/388480086.db2.gz KPCSAAQVPYWGFM-GARJFASQSA-N 2 0 227.352 0.441 20 0 BCADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CC[NH2+]C1 ZINC000646729190 388438799 /nfs/dbraw/zinc/43/87/99/388438799.db2.gz CYNMAIOTCHDECJ-WDEREUQCSA-N 2 0 225.336 0.291 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000516431487 256776624 /nfs/dbraw/zinc/77/66/24/256776624.db2.gz UNPPUKZSJDUEDR-HBNTYKKESA-N 2 0 225.336 0.195 20 0 BCADRP Cn1cncc1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000548460142 388541125 /nfs/dbraw/zinc/54/11/25/388541125.db2.gz YTCNUMCOAQLYLB-JTQLQIEISA-N 2 0 236.319 0.031 20 0 BCADRP C[C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000649271605 388482506 /nfs/dbraw/zinc/48/25/06/388482506.db2.gz OHOFMYFJRRFASV-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP CCCN(C(=O)[C@H](C)[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000649271044 388482595 /nfs/dbraw/zinc/48/25/95/388482595.db2.gz CPKBTYSUMLBHRC-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP Cc1nocc1CNC[C@@]1(O)CC[N@@H+](C)C1 ZINC000339347633 388483119 /nfs/dbraw/zinc/48/31/19/388483119.db2.gz CUZACURKSYPPJQ-NSHDSACASA-N 2 0 225.292 0.139 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)[NH+](C)C ZINC000649272523 388483595 /nfs/dbraw/zinc/48/35/95/388483595.db2.gz DRPLCJWEYHXCEW-GUBZILKMSA-N 2 0 213.325 0.132 20 0 BCADRP C[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000517230376 256820076 /nfs/dbraw/zinc/82/00/76/256820076.db2.gz NCGPRSACRQKXIP-PWSUYJOCSA-N 2 0 225.336 0.244 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[NH2+]CC1(C)C ZINC000649273512 388484537 /nfs/dbraw/zinc/48/45/37/388484537.db2.gz OFDWAZFKYWOJRQ-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000646776356 388497507 /nfs/dbraw/zinc/49/75/07/388497507.db2.gz YXSZVKSZFGPGTG-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649277106 388500283 /nfs/dbraw/zinc/50/02/83/388500283.db2.gz DDMZDWSIJZVERM-KXNHARMFSA-N 2 0 237.347 0.337 20 0 BCADRP CN(CCC[NH3+])C(=O)c1ccc(C[NH3+])cc1 ZINC000646783214 388500543 /nfs/dbraw/zinc/50/05/43/388500543.db2.gz VFHABZZVAUHRCV-UHFFFAOYSA-N 2 0 221.304 0.566 20 0 BCADRP CN(CCC[NH3+])C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000646783134 388500672 /nfs/dbraw/zinc/50/06/72/388500672.db2.gz PYAHXPMNKIKVNX-UHFFFAOYSA-N 2 0 233.315 0.711 20 0 BCADRP CN(CCC[NH3+])C(=O)C1CC[NH+](C)CC1 ZINC000646781521 388500863 /nfs/dbraw/zinc/50/08/63/388500863.db2.gz XCMMIEXBUXZSTR-UHFFFAOYSA-N 2 0 213.325 0.135 20 0 BCADRP C[C@H]([NH3+])c1ccc(NC(=O)COCC[NH3+])cc1 ZINC000646789400 388504972 /nfs/dbraw/zinc/50/49/72/388504972.db2.gz JZZIVUOCPGSQBG-VIFPVBQESA-N 2 0 237.303 0.620 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000516749514 256801485 /nfs/dbraw/zinc/80/14/85/256801485.db2.gz ZOHMVFCMDLIUPF-LLVKDONJSA-N 2 0 227.352 0.633 20 0 BCADRP CO[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@@H](CN)C1 ZINC000516867502 256804748 /nfs/dbraw/zinc/80/47/48/256804748.db2.gz ZZDWMSVKYNLPGV-CHWSQXEVSA-N 2 0 241.379 0.424 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cnnn2C)CC1 ZINC000347219439 388522381 /nfs/dbraw/zinc/52/23/81/388522381.db2.gz SKIVMYMTEHJVBG-SECBINFHSA-N 2 0 223.324 0.374 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH2+]CC1 ZINC000646810564 388549908 /nfs/dbraw/zinc/54/99/08/388549908.db2.gz SLNPOGKWOVZTHA-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000517139852 256816749 /nfs/dbraw/zinc/81/67/49/256816749.db2.gz KNOGCDBRFPOZQI-HBNTYKKESA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]Cc1ccc(CN[C@H]2CCC[NH2+]C2)cc1 ZINC000516926945 388524656 /nfs/dbraw/zinc/52/46/56/388524656.db2.gz PRLAZMOPPPNGJH-ZDUSSCGKSA-N 2 0 219.332 0.987 20 0 BCADRP O=C(CC1CC[NH2+]CC1)NCC[C@H]1CCC[NH2+]1 ZINC000516925592 388525339 /nfs/dbraw/zinc/52/53/39/388525339.db2.gz XMVDQYOYJPCNPN-GFCCVEGCSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](C)C2)C1 ZINC000564345782 388527866 /nfs/dbraw/zinc/52/78/66/388527866.db2.gz DAEAJZBBGYZEBY-NEPJUHHUSA-N 2 0 239.363 0.396 20 0 BCADRP CC[NH2+]CCCNC(=O)NCC1([NH3+])CCC1 ZINC000516960512 388528453 /nfs/dbraw/zinc/52/84/53/388528453.db2.gz VMJHXQKFZDPCJJ-UHFFFAOYSA-N 2 0 228.340 0.167 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)c1ccc(C[NH3+])cc1 ZINC000517028087 388533787 /nfs/dbraw/zinc/53/37/87/388533787.db2.gz IQHXRMGDDVQNSM-VIFPVBQESA-N 2 0 221.304 0.470 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCN2CCCC2=O)C1 ZINC000517041048 388536272 /nfs/dbraw/zinc/53/62/72/388536272.db2.gz DBXKQLBOIBRFBN-NWDGAFQWSA-N 2 0 239.363 0.858 20 0 BCADRP COC[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186593755 388601638 /nfs/dbraw/zinc/60/16/38/388601638.db2.gz MJKBNRHLJOTTQT-CHWSQXEVSA-N 2 0 243.395 0.637 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000517456800 388551034 /nfs/dbraw/zinc/55/10/34/388551034.db2.gz ZZMFRSXOPDJHCX-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP CC[NH2+]CCNC(=O)N1CC[N@H+](C)C[C@H]1CC ZINC000517540382 388551902 /nfs/dbraw/zinc/55/19/02/388551902.db2.gz NGSZYPNUCOSLDU-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP CC(C)(C[NH3+])NC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000521004942 388559511 /nfs/dbraw/zinc/55/95/11/388559511.db2.gz GPMFKTHRMZNTNF-GFCCVEGCSA-N 2 0 249.358 0.800 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000521050453 388560535 /nfs/dbraw/zinc/56/05/35/388560535.db2.gz OWFNLDZCTOSUGE-PHIMTYICSA-N 2 0 227.352 0.524 20 0 BCADRP CC1(C)CN(C(=O)c2ccnc(C[NH3+])c2)CC[NH2+]1 ZINC000521042408 388560709 /nfs/dbraw/zinc/56/07/09/388560709.db2.gz GSYGPXSGCKHKBY-UHFFFAOYSA-N 2 0 248.330 0.364 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000364174774 388564211 /nfs/dbraw/zinc/56/42/11/388564211.db2.gz XGMTYGDRIOTOOV-UWVGGRQHSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367602596 388565531 /nfs/dbraw/zinc/56/55/31/388565531.db2.gz UYKFYRWOCVEBEN-YFKTTZPYSA-N 2 0 212.337 0.830 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C[NH3+])c1ccsc1 ZINC000261538570 388567897 /nfs/dbraw/zinc/56/78/97/388567897.db2.gz YPJPPOVMHATQGH-SECBINFHSA-N 2 0 227.333 0.426 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000649295487 388573223 /nfs/dbraw/zinc/57/32/23/388573223.db2.gz OMEPKWHLZXECRI-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000517564922 256828836 /nfs/dbraw/zinc/82/88/36/256828836.db2.gz MOMHZMMGJKIKJR-NXEZZACHSA-N 2 0 225.336 0.230 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649297541 388575825 /nfs/dbraw/zinc/57/58/25/388575825.db2.gz AMWTUIYQRHXHTL-VEGXAWMVSA-N 2 0 249.358 0.480 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000649297712 388576052 /nfs/dbraw/zinc/57/60/52/388576052.db2.gz RZNWDXGPLARDIS-USZNOCQGSA-N 2 0 237.347 0.467 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC000245441820 388580505 /nfs/dbraw/zinc/58/05/05/388580505.db2.gz HPJGRALYUCVBJG-RYUDHWBXSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@]1(CN[C@@H]2CCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000414923595 388666310 /nfs/dbraw/zinc/66/63/10/388666310.db2.gz IQDJYAFHEQOWEL-TUAOUCFPSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000521986154 388672424 /nfs/dbraw/zinc/67/24/24/388672424.db2.gz HNRLBUGCMKLGST-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP NC(=O)c1c[nH+]ccc1NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000521987707 388672773 /nfs/dbraw/zinc/67/27/73/388672773.db2.gz ITTAXQKIZRUBKK-ZJUUUORDSA-N 2 0 248.330 0.532 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)C1CC[NH2+]CC1 ZINC000522000130 388673690 /nfs/dbraw/zinc/67/36/90/388673690.db2.gz IVXHPEMFYXVRIT-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000621702382 388677743 /nfs/dbraw/zinc/67/77/43/388677743.db2.gz UBDKOJACUMXIHD-INTQDDNPSA-N 2 0 225.336 0.371 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000261547596 135240769 /nfs/dbraw/zinc/24/07/69/135240769.db2.gz MOPJEKJYSCMILW-IVZWLZJFSA-N 2 0 215.341 0.474 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646856978 388626213 /nfs/dbraw/zinc/62/62/13/388626213.db2.gz UROTXZJKQYRCSC-FOGDFJRCSA-N 2 0 243.351 0.079 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000246295787 388629003 /nfs/dbraw/zinc/62/90/03/388629003.db2.gz NQGWWFAHDKQRTL-WYUUTHIRSA-N 2 0 241.379 0.816 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1COCCN1 ZINC000530222946 388634106 /nfs/dbraw/zinc/63/41/06/388634106.db2.gz IUIZWDKGAVBJDH-SDDRHHMPSA-N 2 0 227.352 0.082 20 0 BCADRP C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)C1C[NH2+]C1 ZINC000530224356 388634703 /nfs/dbraw/zinc/63/47/03/388634703.db2.gz LPYFWEXHHFPABL-LIJGXYGRSA-N 2 0 212.337 0.996 20 0 BCADRP C[C@H](NC[C@@H]1COCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000530227417 388635307 /nfs/dbraw/zinc/63/53/07/388635307.db2.gz XJAQAKCSIKHEEA-TUAOUCFPSA-N 2 0 227.352 0.095 20 0 BCADRP CN(CC[NH3+])C(=O)[C@H]([NH3+])c1ccccc1 ZINC000521872732 388637378 /nfs/dbraw/zinc/63/73/78/388637378.db2.gz CJXARLYLYDBSKJ-SNVBAGLBSA-N 2 0 207.277 0.104 20 0 BCADRP COC[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000227077200 388739931 /nfs/dbraw/zinc/73/99/31/388739931.db2.gz ULDUAJMHCCCXMW-NEPJUHHUSA-N 2 0 212.337 0.954 20 0 BCADRP CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249115044 388709639 /nfs/dbraw/zinc/70/96/39/388709639.db2.gz NTRFOANFQOITMM-TUAOUCFPSA-N 2 0 212.337 0.974 20 0 BCADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CSC)C1 ZINC000249481432 388723445 /nfs/dbraw/zinc/72/34/45/388723445.db2.gz VSALULNGIVFOFH-VXGBXAGGSA-N 2 0 246.420 0.984 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000127627138 388728549 /nfs/dbraw/zinc/72/85/49/388728549.db2.gz SPUJNCDUYKUXLA-HBNTYKKESA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1[C@H](C(=O)NCC[NH+](C)C2CC2)CC[N@@H+]1C ZINC000648749989 388800425 /nfs/dbraw/zinc/80/04/25/388800425.db2.gz ZFGGXOILTYQARZ-ZYHUDNBSSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH2+]CC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000564655211 388883118 /nfs/dbraw/zinc/88/31/18/388883118.db2.gz DRAVHSGPWIVWDJ-SECBINFHSA-N 2 0 221.304 0.542 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000564957800 388902790 /nfs/dbraw/zinc/90/27/90/388902790.db2.gz FJJSUBMWFSVXOL-NXEZZACHSA-N 2 0 227.352 0.761 20 0 BCADRP C[C@H](CC(=O)NC[C@H](C)[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000194842521 388894691 /nfs/dbraw/zinc/89/46/91/388894691.db2.gz OEFLTDOBOVHXTG-OUAUKWLOSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)C(C)(C)[NH3+] ZINC000564929807 388898763 /nfs/dbraw/zinc/89/87/63/388898763.db2.gz VYYYYBFKDOSIGN-UHFFFAOYSA-N 2 0 201.314 0.228 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000564939040 388899573 /nfs/dbraw/zinc/89/95/73/388899573.db2.gz XZEILJMQNFESHX-GMTAPVOTSA-N 2 0 244.383 0.929 20 0 BCADRP CC(C)[C@@H](C(=O)NC1CC[NH2+]CC1)[C@@H](C)[NH3+] ZINC000564939338 388900432 /nfs/dbraw/zinc/90/04/32/388900432.db2.gz HPWGSTLGJZTQGG-MWLCHTKSSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000564956777 388901046 /nfs/dbraw/zinc/90/10/46/388901046.db2.gz SCVXTOXHTFCQNP-DCAQKATOSA-N 2 0 227.352 0.603 20 0 BCADRP C[NH2+]CCCC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000564953633 388901614 /nfs/dbraw/zinc/90/16/14/388901614.db2.gz CHPBTWMLTAOCGY-LLVKDONJSA-N 2 0 227.352 0.634 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)ccn1 ZINC000564957101 388901833 /nfs/dbraw/zinc/90/18/33/388901833.db2.gz ZMFDFKDEEWOQMT-ONGXEEELSA-N 2 0 248.330 0.398 20 0 BCADRP CN(C)C(=O)C(C)(C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000564973738 388902018 /nfs/dbraw/zinc/90/20/18/388902018.db2.gz VIVUBTWJCFZSPK-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])CC(F)F ZINC000564996900 388907100 /nfs/dbraw/zinc/90/71/00/388907100.db2.gz ZRPNEFGEESNPFT-HTQZYQBOSA-N 2 0 249.305 0.473 20 0 BCADRP CC1(C(=O)NCc2ccc(C[NH3+])cc2)C[NH2+]C1 ZINC000565001038 388908065 /nfs/dbraw/zinc/90/80/65/388908065.db2.gz OHYLRDGDLPQLLQ-UHFFFAOYSA-N 2 0 233.315 0.371 20 0 BCADRP CC(C)NC(=O)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000163126161 388921953 /nfs/dbraw/zinc/92/19/53/388921953.db2.gz LFUYLIJVKBITGJ-QWRGUYRKSA-N 2 0 227.352 0.761 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)CN1CC(C)(C)C1 ZINC000565185659 388923294 /nfs/dbraw/zinc/92/32/94/388923294.db2.gz NKXZOUIMVOEZGM-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CC[NH2+]C1)[C@H](C)[NH3+] ZINC000565250970 388931859 /nfs/dbraw/zinc/93/18/59/388931859.db2.gz VLQJVJUSLZRQEV-LPEHRKFASA-N 2 0 213.325 0.084 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CC[NH2+]C1)[C@@H](C)[NH3+] ZINC000565250969 388931915 /nfs/dbraw/zinc/93/19/15/388931915.db2.gz VLQJVJUSLZRQEV-KXUCPTDWSA-N 2 0 213.325 0.084 20 0 BCADRP CN(CCC[NH3+])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000565249140 388932486 /nfs/dbraw/zinc/93/24/86/388932486.db2.gz DJDZUBQSOVBVKE-LLVKDONJSA-N 2 0 242.367 0.366 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)c1c[nH+]ccc1N ZINC000565302574 388935609 /nfs/dbraw/zinc/93/56/09/388935609.db2.gz ALBRJOKNVPGKEE-MRVPVSSYSA-N 2 0 222.292 0.351 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000565608162 388959077 /nfs/dbraw/zinc/95/90/77/388959077.db2.gz DWXNQOMOOQBEJD-GUBZILKMSA-N 2 0 211.309 0.125 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000565363664 388939369 /nfs/dbraw/zinc/93/93/69/388939369.db2.gz NYPWGKXIVLLITG-OLZOCXBDSA-N 2 0 225.380 0.917 20 0 BCADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COCC)C1 ZINC000565416613 388943152 /nfs/dbraw/zinc/94/31/52/388943152.db2.gz FKLPHISZRFHDKZ-OLZOCXBDSA-N 2 0 244.379 0.705 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000565477414 388947273 /nfs/dbraw/zinc/94/72/73/388947273.db2.gz FIYSOIYFVVDKHB-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2c[nH+]ccc2N)C1 ZINC000566010522 388983311 /nfs/dbraw/zinc/98/33/11/388983311.db2.gz DKHSBOUJGKMZMY-ZJUUUORDSA-N 2 0 248.330 0.694 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000566067425 388984348 /nfs/dbraw/zinc/98/43/48/388984348.db2.gz DHPWCACHLULXDR-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000566088501 388984997 /nfs/dbraw/zinc/98/49/97/388984997.db2.gz VWGIKLKQWWXDEO-ZYHUDNBSSA-N 2 0 211.353 0.526 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)CC1(C[NH3+])CC1 ZINC000566103129 388986892 /nfs/dbraw/zinc/98/68/92/388986892.db2.gz VIZNDDLEZHXAKK-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)COC)CC1 ZINC000566115638 388989086 /nfs/dbraw/zinc/98/90/86/388989086.db2.gz KUJVHTFREXNDNW-ZDUSSCGKSA-N 2 0 244.379 0.705 20 0 BCADRP Cn1cncc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271815967 389025918 /nfs/dbraw/zinc/02/59/18/389025918.db2.gz MBIFJFNXVNBHPO-UHFFFAOYSA-N 2 0 220.320 0.772 20 0 BCADRP C[C@@H](C(=O)NCC1([NH3+])CCCCC1)[C@H](C)[NH3+] ZINC000493799401 533251087 /nfs/dbraw/zinc/25/10/87/533251087.db2.gz VBXKHRVHSLRHFD-ZJUUUORDSA-N 2 0 227.352 0.748 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@@H](O)C2CC2)CC1 ZINC000070879975 535474221 /nfs/dbraw/zinc/47/42/21/535474221.db2.gz QNXDXLUCEXQNSP-GFCCVEGCSA-N 2 0 212.337 0.831 20 0 BCADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1COCCO1 ZINC000251325711 533370585 /nfs/dbraw/zinc/37/05/85/533370585.db2.gz OQDMYZADAXSOJT-UPJWGTAASA-N 2 0 240.347 0.618 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@H]1CC ZINC000261548928 535474954 /nfs/dbraw/zinc/47/49/54/535474954.db2.gz OCFKYCMQGHVEDT-ZJUUUORDSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)/C=C/C[NH+](C)C ZINC000491890737 533568572 /nfs/dbraw/zinc/56/85/72/533568572.db2.gz IBMKDPPDSQSSHG-MLRMMBSGSA-N 2 0 227.352 0.561 20 0 BCADRP C[NH+](C)C1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302057452 132259761 /nfs/dbraw/zinc/25/97/61/132259761.db2.gz ZVFGXCFBZRHUHL-UHFFFAOYSA-N 2 0 248.330 0.711 20 0 BCADRP Cc1cc(N2CC[N@H+](CCO)[C@@H](C)C2)cc[nH+]1 ZINC000302669921 132265398 /nfs/dbraw/zinc/26/53/98/132265398.db2.gz DIANVEMMCGHTAS-LBPRGKRZSA-N 2 0 235.331 0.893 20 0 BCADRP Cc1cc(N2CC[N@H+](CCO)[C@H](C)C2)cc[nH+]1 ZINC000302669919 132265483 /nfs/dbraw/zinc/26/54/83/132265483.db2.gz DIANVEMMCGHTAS-GFCCVEGCSA-N 2 0 235.331 0.893 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C[C@@H](C[NH3+])OC ZINC000219243765 133523280 /nfs/dbraw/zinc/52/32/80/133523280.db2.gz CQXZNPXFPSSVGA-QWRGUYRKSA-N 2 0 245.367 0.197 20 0 BCADRP [NH3+]C1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000088130603 133550231 /nfs/dbraw/zinc/55/02/31/133550231.db2.gz GBZPVLPPORYVOQ-LLVKDONJSA-N 2 0 237.347 0.565 20 0 BCADRP C[NH+](C)CC(=O)NCC1([NH+](C)C)CCCC1 ZINC000340104528 133558759 /nfs/dbraw/zinc/55/87/59/133558759.db2.gz BEPYRNDXIOUJOU-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000343476805 133686904 /nfs/dbraw/zinc/68/69/04/133686904.db2.gz NYKZAUILGZEDJM-KKOKHZNYSA-N 2 0 239.363 0.489 20 0 BCADRP [NH3+]CC1(CC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000335425515 133842533 /nfs/dbraw/zinc/84/25/33/133842533.db2.gz YPSLUTFDCSABCX-MNOVXSKESA-N 2 0 237.347 0.326 20 0 BCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CC[NH2+]1 ZINC000335433360 133844932 /nfs/dbraw/zinc/84/49/32/133844932.db2.gz JUTWDOQQABXNIN-ZYHUDNBSSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000335481699 133880939 /nfs/dbraw/zinc/88/09/39/133880939.db2.gz YAHVLGGUPNEANZ-SNVBAGLBSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000335789063 133907646 /nfs/dbraw/zinc/90/76/46/133907646.db2.gz CETUZRXWEZFWKG-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000335816014 133921696 /nfs/dbraw/zinc/92/16/96/133921696.db2.gz HDQYTSHZJSQXJL-QWRGUYRKSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH3+])[NH+](C)C ZINC000349950916 133926990 /nfs/dbraw/zinc/92/69/90/133926990.db2.gz KQGABVQDCRJQBE-ZJUUUORDSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000335890058 133951603 /nfs/dbraw/zinc/95/16/03/133951603.db2.gz DOGWKUOUJPXVDL-GXFFZTMASA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](O)C[N@H+](CCO)CCC[NH+]1CCCCC1 ZINC000351948808 134015854 /nfs/dbraw/zinc/01/58/54/134015854.db2.gz IPYAQEAJYKQBIN-ZDUSSCGKSA-N 2 0 244.379 0.538 20 0 BCADRP C[C@@]1(C(=O)N2CCC[C@@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000335946095 134020103 /nfs/dbraw/zinc/02/01/03/134020103.db2.gz AQQGMDRPEXATPF-WCQYABFASA-N 2 0 239.363 0.573 20 0 BCADRP C[C@@]1(CNC(=O)C2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000335990409 134040255 /nfs/dbraw/zinc/04/02/55/134040255.db2.gz GCWHXXSKCSUQNI-CYBMUJFWSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000336004271 134048419 /nfs/dbraw/zinc/04/84/19/134048419.db2.gz QDESBHKSVFOERX-ONGXEEELSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000336032486 134058745 /nfs/dbraw/zinc/05/87/45/134058745.db2.gz BEKUDQZSWQQMIF-DGCLKSJQSA-N 2 0 239.363 0.762 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000336148891 134103407 /nfs/dbraw/zinc/10/34/07/134103407.db2.gz HYDIJPAZWMLGIB-TZMCWYRMSA-N 2 0 249.358 0.412 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000336176991 134117035 /nfs/dbraw/zinc/11/70/35/134117035.db2.gz KRUSPFSVVXBICP-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)C1CC([NH3+])C1 ZINC000336212002 134134772 /nfs/dbraw/zinc/13/47/72/134134772.db2.gz BOPIGSDIWFYOOC-ZYANWLCNSA-N 2 0 239.363 0.807 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[NH+](C)C ZINC000167939684 134154939 /nfs/dbraw/zinc/15/49/39/134154939.db2.gz IAPKJMJHTJUEHG-VIFPVBQESA-N 2 0 201.314 0.038 20 0 BCADRP CC[C@H](C)NC(=O)[C@@H](C)N1CCC[C@@H](C[NH3+])C1 ZINC000217555825 134248321 /nfs/dbraw/zinc/24/83/21/134248321.db2.gz BGOUGRJEWZWRTF-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)CNC(=O)[C@H](C)N1CCC[C@@H](C[NH3+])C1 ZINC000217553872 134248590 /nfs/dbraw/zinc/24/85/90/134248590.db2.gz MTQJOCFBGTUAOI-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000170786979 134254228 /nfs/dbraw/zinc/25/42/28/134254228.db2.gz BQFFPCHPMGTTNV-VXGBXAGGSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH+](C)CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174319609 134280547 /nfs/dbraw/zinc/28/05/47/134280547.db2.gz JZMXCVVJCRXULC-GFCCVEGCSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)CC[N@@H+]1C ZINC000219307161 134281306 /nfs/dbraw/zinc/28/13/06/134281306.db2.gz ABGZKIXVZNQCBF-CHWSQXEVSA-N 3 0 243.395 0.637 20 0 BCADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cnn(C)c1 ZINC000219316197 134281547 /nfs/dbraw/zinc/28/15/47/134281547.db2.gz BWXZLZUMZLYYMO-LLVKDONJSA-N 2 0 240.351 0.649 20 0 BCADRP CNC(=O)CCC[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000220378834 134305867 /nfs/dbraw/zinc/30/58/67/134305867.db2.gz RSJFSDIKQKLAML-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP COCCCOCC[N@H+](C)CC1CC[NH2+]CC1 ZINC000220392432 134306326 /nfs/dbraw/zinc/30/63/26/134306326.db2.gz PUPIMQYYCUTGHN-UHFFFAOYSA-N 2 0 244.379 0.971 20 0 BCADRP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000178406683 134310061 /nfs/dbraw/zinc/31/00/61/134310061.db2.gz PNNFGEYLGNZUBU-NWDGAFQWSA-N 2 0 233.315 0.555 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000178736138 134310717 /nfs/dbraw/zinc/31/07/17/134310717.db2.gz AFFWEHZYTCPOSP-GFCCVEGCSA-N 2 0 239.363 0.812 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000178736130 134310970 /nfs/dbraw/zinc/31/09/70/134310970.db2.gz AFFWEHZYTCPOSP-LBPRGKRZSA-N 2 0 239.363 0.812 20 0 BCADRP CCCN(C(=O)[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000178933886 134313576 /nfs/dbraw/zinc/31/35/76/134313576.db2.gz WYQCWNNNWZCLTL-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP NC(=O)C1([NH2+]CC2CC[NH2+]CC2)CCCCC1 ZINC000178977660 134313893 /nfs/dbraw/zinc/31/38/93/134313893.db2.gz LLPKMEXBLYGDQC-UHFFFAOYSA-N 2 0 239.363 0.764 20 0 BCADRP c1ncn([C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178972422 134313968 /nfs/dbraw/zinc/31/39/68/134313968.db2.gz SXCWDINFOAXOMM-CYBMUJFWSA-N 2 0 249.362 0.915 20 0 BCADRP COC[C@@](C)(CCO)[NH2+]CC1CC[NH2+]CC1 ZINC000178977571 134314190 /nfs/dbraw/zinc/31/41/90/134314190.db2.gz PPKKBZDGKVDGLG-GFCCVEGCSA-N 2 0 230.352 0.363 20 0 BCADRP C[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220946739 134315181 /nfs/dbraw/zinc/31/51/81/134315181.db2.gz CPASRYJVBXTINR-SDDRHHMPSA-N 2 0 212.337 0.783 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH3+])[C@H](C)C1 ZINC000178814157 134315693 /nfs/dbraw/zinc/31/56/93/134315693.db2.gz LDJYNLHXHYCWKM-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000178867292 134315990 /nfs/dbraw/zinc/31/59/90/134315990.db2.gz IRJGTILJGFOWAD-NHCYSSNCSA-N 2 0 237.347 0.480 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000179206224 134318635 /nfs/dbraw/zinc/31/86/35/134318635.db2.gz ZUPQPANHAZRZNT-SNVBAGLBSA-N 2 0 215.341 0.476 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](O)C(F)(F)F ZINC000222621281 134333702 /nfs/dbraw/zinc/33/37/02/134333702.db2.gz ADWLCCHLPAYYJC-HRDYMLBCSA-N 2 0 240.269 0.839 20 0 BCADRP CNC(=O)CCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000222868805 134335189 /nfs/dbraw/zinc/33/51/89/134335189.db2.gz IBTPNMIELGOKPP-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H](O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223583789 134340321 /nfs/dbraw/zinc/34/03/21/134340321.db2.gz PAQRGLIFFZRUPY-DCAQKATOSA-N 2 0 200.326 0.830 20 0 BCADRP COC[C@H](O)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000224249735 134345287 /nfs/dbraw/zinc/34/52/87/134345287.db2.gz NXMAWUIMMWOHSA-FRRDWIJNSA-N 2 0 244.379 0.894 20 0 BCADRP CC1(CNC(=O)[C@@H]2CCCC[NH2+]2)CC[NH2+]CC1 ZINC000183363489 134351175 /nfs/dbraw/zinc/35/11/75/134351175.db2.gz QSRQAMDOTUJWJE-NSHDSACASA-N 2 0 239.363 0.634 20 0 BCADRP [NH3+]CCC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184216721 134359490 /nfs/dbraw/zinc/35/94/90/134359490.db2.gz XSAPTVBWWBZNLZ-UHFFFAOYSA-N 2 0 221.304 0.323 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000226314481 134360337 /nfs/dbraw/zinc/36/03/37/134360337.db2.gz MHYKSFJBTOZOCN-VWYCJHECSA-N 2 0 225.336 0.467 20 0 BCADRP C[NH+](C)CCOCC[NH2+]C[C@H]1CCSC1 ZINC000226387718 134365276 /nfs/dbraw/zinc/36/52/76/134365276.db2.gz BWZVDXYVXKFFGE-LLVKDONJSA-N 2 0 232.393 0.907 20 0 BCADRP CO[C@H](C[NH3+])C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000227351762 134378444 /nfs/dbraw/zinc/37/84/44/134378444.db2.gz AMYJLALQRYKJDY-WDEREUQCSA-N 2 0 245.367 0.053 20 0 BCADRP CO[C@@H](C[NH3+])C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000227351753 134378780 /nfs/dbraw/zinc/37/87/80/134378780.db2.gz AMYJLALQRYKJDY-QWRGUYRKSA-N 2 0 245.367 0.053 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227805628 134395666 /nfs/dbraw/zinc/39/56/66/134395666.db2.gz GTMBDMZHFQKCBL-GMTAPVOTSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]CC1(NC(=O)C2CC[NH2+]CC2)CCCC1 ZINC000131864052 134634830 /nfs/dbraw/zinc/63/48/30/134634830.db2.gz CUEPPEOEABULFA-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP CC[C@H](C)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000238312981 134664348 /nfs/dbraw/zinc/66/43/48/134664348.db2.gz NBNWZGRJNVPDEP-JTQLQIEISA-N 2 0 200.326 0.818 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000155773028 134697109 /nfs/dbraw/zinc/69/71/09/134697109.db2.gz QUKIYEDIFUYKGJ-NEPJUHHUSA-N 2 0 239.363 0.620 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@@H]([NH2+]C)C2)CCC[NH2+]1 ZINC000134365488 134707554 /nfs/dbraw/zinc/70/75/54/134707554.db2.gz GAKTUUJRPBKKHM-ZYHUDNBSSA-N 2 0 225.336 0.339 20 0 BCADRP CC[C@@]1(C(=O)N2CC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000134365315 134707657 /nfs/dbraw/zinc/70/76/57/134707657.db2.gz LCWXSHFTZPBNCX-KOLCDFICSA-N 2 0 211.309 0.078 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000059931356 134791059 /nfs/dbraw/zinc/79/10/59/134791059.db2.gz XYQXBOSYACDACO-LLVKDONJSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000059931326 134792034 /nfs/dbraw/zinc/79/20/34/134792034.db2.gz JDVYZIMSOMSAJR-NSHDSACASA-N 2 0 227.352 0.570 20 0 BCADRP CCC[NH2+]CCNC(=O)C(CC)(CC)C[NH3+] ZINC000236900864 134840368 /nfs/dbraw/zinc/84/03/68/134840368.db2.gz BXJQPUKUVPCJFX-UHFFFAOYSA-N 2 0 229.368 0.867 20 0 BCADRP [NH3+]C1(CNC(=O)C2CC[NH2+]CC2)CCCCC1 ZINC000237817310 134847250 /nfs/dbraw/zinc/84/72/50/134847250.db2.gz UDQZQERATDKTFF-UHFFFAOYSA-N 2 0 239.363 0.764 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](CCn2cccn2)CC1 ZINC000082475147 134970377 /nfs/dbraw/zinc/97/03/77/134970377.db2.gz UBRCFLSXACVWBZ-LLVKDONJSA-N 2 0 222.336 0.942 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000163602726 135005722 /nfs/dbraw/zinc/00/57/22/135005722.db2.gz OHVBWAQFVGFWDU-VHSXEESVSA-N 2 0 247.408 0.523 20 0 BCADRP CC[C@H](COC)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000070658494 135007258 /nfs/dbraw/zinc/00/72/58/135007258.db2.gz HOSWVCBTMXTGBU-VXGBXAGGSA-N 2 0 230.352 0.458 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH2+]3)C[C@H]12 ZINC000248654407 135018796 /nfs/dbraw/zinc/01/87/96/135018796.db2.gz VVXPQZYXCZVLPN-WISYIIOYSA-N 2 0 237.347 0.324 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000163611390 135018928 /nfs/dbraw/zinc/01/89/28/135018928.db2.gz PFLRTCYYAPXDBB-SNVBAGLBSA-N 2 0 247.408 0.523 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000248863468 135023612 /nfs/dbraw/zinc/02/36/12/135023612.db2.gz GTXGRFZNJJHLGE-WCABBAIRSA-N 2 0 229.299 0.074 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000249789516 135045123 /nfs/dbraw/zinc/04/51/23/135045123.db2.gz DXYGYRNNJZBCSF-VWYCJHECSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@H](O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000251038883 135061935 /nfs/dbraw/zinc/06/19/35/135061935.db2.gz KNSWPWURGNGKFY-DCAQKATOSA-N 2 0 200.326 0.639 20 0 BCADRP C[C@H]([C@H](C)O)[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000251038887 135062102 /nfs/dbraw/zinc/06/21/02/135062102.db2.gz KNSWPWURGNGKFY-VWYCJHECSA-N 2 0 200.326 0.639 20 0 BCADRP C[C@@H]([NH3+])CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000251121016 135064545 /nfs/dbraw/zinc/06/45/45/135064545.db2.gz QYXYYUCJAOCEPR-VXGBXAGGSA-N 2 0 211.353 0.894 20 0 BCADRP C[C@H](CCO)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000251187823 135065246 /nfs/dbraw/zinc/06/52/46/135065246.db2.gz ILSJFEYHCLVQJJ-OUAUKWLOSA-N 2 0 200.326 0.864 20 0 BCADRP COC[C@H](O)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251218326 135066045 /nfs/dbraw/zinc/06/60/45/135066045.db2.gz NXMAWUIMMWOHSA-YNEHKIRRSA-N 2 0 244.379 0.894 20 0 BCADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[NH3+] ZINC000251783161 135077945 /nfs/dbraw/zinc/07/79/45/135077945.db2.gz NAUBAUIABXHOLK-UWVGGRQHSA-N 2 0 211.309 0.030 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@H]1CCCCO1 ZINC000086435488 135084853 /nfs/dbraw/zinc/08/48/53/135084853.db2.gz XPIIXIOMMGYDFF-LLVKDONJSA-N 2 0 216.325 0.463 20 0 BCADRP COC(=O)CC[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638106 135091947 /nfs/dbraw/zinc/09/19/47/135091947.db2.gz GGGCNJPNLGZKGL-UHFFFAOYSA-N 2 0 202.298 0.466 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000252651589 135093091 /nfs/dbraw/zinc/09/30/91/135093091.db2.gz RYJLOFNCVMQKGF-TUAOUCFPSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H](O)CC[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000252688108 135097191 /nfs/dbraw/zinc/09/71/91/135097191.db2.gz NFEATJYFRUDVGC-MNOVXSKESA-N 2 0 200.326 0.689 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)CO)[C@@H](C)C1 ZINC000252708592 135098219 /nfs/dbraw/zinc/09/82/19/135098219.db2.gz AMSMNRKEOMHBLC-SRVKXCTJSA-N 2 0 214.353 0.935 20 0 BCADRP C[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252711708 135099329 /nfs/dbraw/zinc/09/93/29/135099329.db2.gz KJBSCQSYMALURO-HBNTYKKESA-N 2 0 200.326 0.545 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCC[NH+](C)C ZINC000087121776 135106904 /nfs/dbraw/zinc/10/69/04/135106904.db2.gz PUXBAOVFEQPSLB-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261549312 135108352 /nfs/dbraw/zinc/10/83/52/135108352.db2.gz KJZKDFAWPUMZCG-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261544809 135109164 /nfs/dbraw/zinc/10/91/64/135109164.db2.gz JCUPIYJYTFLKEQ-ONGXEEELSA-N 2 0 213.325 0.357 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000261581748 135109747 /nfs/dbraw/zinc/10/97/47/135109747.db2.gz NWGJLBLNKPVQDP-VIFPVBQESA-N 2 0 215.341 0.603 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261886386 135111871 /nfs/dbraw/zinc/11/18/71/135111871.db2.gz VESZVSLLLWNAMI-NEPJUHHUSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000253151491 135121983 /nfs/dbraw/zinc/12/19/83/135121983.db2.gz HKVUWSRFEIZSCX-UTUOFQBUSA-N 2 0 241.379 0.831 20 0 BCADRP COC[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253196018 135123892 /nfs/dbraw/zinc/12/38/92/135123892.db2.gz SGHOMHGISUMJJO-OUAUKWLOSA-N 2 0 200.326 0.938 20 0 BCADRP O=C([C@@H]1CC[NH2+]C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257670510 135138435 /nfs/dbraw/zinc/13/84/35/135138435.db2.gz IFEAKTQUKCZPOU-YPMHNXCESA-N 2 0 237.347 0.198 20 0 BCADRP C[C@H](c1ccccc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000261294432 135150251 /nfs/dbraw/zinc/15/02/51/135150251.db2.gz SUZKZFIPYJKDMC-PWSUYJOCSA-N 2 0 208.305 0.999 20 0 BCADRP [NH3+]C[C@H]1CCCCN1CCn1cncn1 ZINC000261529560 135155947 /nfs/dbraw/zinc/15/59/47/135155947.db2.gz BAGXZZAYPGZWEE-SNVBAGLBSA-N 2 0 209.297 0.091 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)C[NH3+] ZINC000261529319 135156164 /nfs/dbraw/zinc/15/61/64/135156164.db2.gz AOEJIMFSALFFOE-ZJUUUORDSA-N 2 0 215.341 0.428 20 0 BCADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000261531194 135159856 /nfs/dbraw/zinc/15/98/56/135159856.db2.gz FPPLFZYUMVTGMB-JLLWLGSASA-N 2 0 212.337 0.864 20 0 BCADRP OC[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000087647770 135161187 /nfs/dbraw/zinc/16/11/87/135161187.db2.gz NXDQNGFKESQANV-GFCCVEGCSA-N 2 0 212.337 0.690 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000261533330 135165066 /nfs/dbraw/zinc/16/50/66/135165066.db2.gz GPANPSBEYOBSPM-CMPLNLGQSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1O ZINC000261533451 135165285 /nfs/dbraw/zinc/16/52/85/135165285.db2.gz BAGOVGAEKNFATB-UTUOFQBUSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@H]1C[N@H+](CCc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000261535474 135169900 /nfs/dbraw/zinc/16/99/00/135169900.db2.gz ZJAGLBAFOSSRIK-CMPLNLGQSA-N 2 0 222.336 0.632 20 0 BCADRP C[C@H](O)C[C@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000261538575 135176318 /nfs/dbraw/zinc/17/63/18/135176318.db2.gz YPZASNNSXXQWSF-VHSXEESVSA-N 2 0 200.326 0.959 20 0 BCADRP C[C@@H]1CC[N@H+](CCc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000261540764 135180025 /nfs/dbraw/zinc/18/00/25/135180025.db2.gz HUYRFCGXIDPIQF-DGCLKSJQSA-N 2 0 236.363 0.879 20 0 BCADRP C[C@@]1(C[N@@H+]2C[C@@H](O)C3(CC3)C2)CC[NH2+]C1 ZINC000261541095 135181207 /nfs/dbraw/zinc/18/12/07/135181207.db2.gz FNCPZKSOUQIKRX-GHMZBOCLSA-N 2 0 210.321 0.443 20 0 BCADRP C[C@@H]1CN(C)CCN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000261543523 135184976 /nfs/dbraw/zinc/18/49/76/135184976.db2.gz UBAFHKCJHYXIAS-GRYCIOLGSA-N 2 0 239.363 0.666 20 0 BCADRP CC1(C)C[N@H+](CC2CC[NH2+]CC2)C[C@@H]1O ZINC000261549411 135188346 /nfs/dbraw/zinc/18/83/46/135188346.db2.gz OMGVLJHGXJERHT-NSHDSACASA-N 2 0 212.337 0.689 20 0 BCADRP OC[C@]1(F)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261551388 135190602 /nfs/dbraw/zinc/19/06/02/135190602.db2.gz QMHAUPJGRBOEFF-NSHDSACASA-N 2 0 216.300 0.392 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)CC[C@@H](C)[NH3+] ZINC000261552492 135191538 /nfs/dbraw/zinc/19/15/38/135191538.db2.gz RNSUDYNVKPYQHO-NXEZZACHSA-N 2 0 215.341 0.748 20 0 BCADRP Cc1n[nH]cc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000084220132 135192545 /nfs/dbraw/zinc/19/25/45/135192545.db2.gz YTSSRANTAIDLKW-ONGXEEELSA-N 2 0 208.309 0.935 20 0 BCADRP Cc1n[nH]cc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000084220130 135192763 /nfs/dbraw/zinc/19/27/63/135192763.db2.gz YTSSRANTAIDLKW-GXSJLCMTSA-N 2 0 208.309 0.935 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCn1ccnc1 ZINC000084216428 135192829 /nfs/dbraw/zinc/19/28/29/135192829.db2.gz ZJYCTXMWQYJMGY-NEPJUHHUSA-N 2 0 222.336 0.990 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000261553440 135193087 /nfs/dbraw/zinc/19/30/87/135193087.db2.gz SLRNMHPPHKLKEH-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@H]1O ZINC000261555777 135194908 /nfs/dbraw/zinc/19/49/08/135194908.db2.gz VGWZHVOJHQZODK-UTUOFQBUSA-N 2 0 212.337 0.689 20 0 BCADRP CN(C)c1nccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000261555604 135195363 /nfs/dbraw/zinc/19/53/63/135195363.db2.gz BMLBWDUHISXWKJ-WDEREUQCSA-N 2 0 247.346 0.588 20 0 BCADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CC[NH2+]CC1 ZINC000261555831 135196086 /nfs/dbraw/zinc/19/60/86/135196086.db2.gz QCJCRFHAGBWRDZ-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP CC[C@]1(C(=O)NC[C@H](C)[NH2+]C)CCC[NH2+]1 ZINC000261556543 135197238 /nfs/dbraw/zinc/19/72/38/135197238.db2.gz WAVWBBYAVIAHMO-GXSJLCMTSA-N 2 0 213.325 0.243 20 0 BCADRP C[NH+](C)CC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000261557681 135197884 /nfs/dbraw/zinc/19/78/84/135197884.db2.gz CTPBKWNLYGQFQN-ZDUSSCGKSA-N 2 0 247.342 0.551 20 0 BCADRP C[C@H](C(=O)NC1CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261558856 135199609 /nfs/dbraw/zinc/19/96/09/135199609.db2.gz STXCIIBFCIKYHU-SCVCMEIPSA-N 2 0 237.347 0.337 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CC[NH2+]C ZINC000261558400 135199879 /nfs/dbraw/zinc/19/98/79/135199879.db2.gz YHWNTLYYPYCQOF-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2C[C@H]1CCC[NH2+]C1 ZINC000261561093 135201609 /nfs/dbraw/zinc/20/16/09/135201609.db2.gz VBWSJBQKMXMJOC-BSCCGWMCSA-N 2 0 236.359 0.687 20 0 BCADRP c1cnn(CCN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261564470 135206366 /nfs/dbraw/zinc/20/63/66/135206366.db2.gz CPMCWOGMLSLTQZ-NEPJUHHUSA-N 2 0 220.320 0.567 20 0 BCADRP C[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)C1C[NH2+]C1 ZINC000163808564 135207336 /nfs/dbraw/zinc/20/73/36/135207336.db2.gz FQIQPFAXJMKPTL-SNVBAGLBSA-N 2 0 241.379 0.546 20 0 BCADRP C[C@@H](C(=O)NCCC[NH+]1CCCC1)C1C[NH2+]C1 ZINC000163875968 135209440 /nfs/dbraw/zinc/20/94/40/135209440.db2.gz DXRVOYWZZQNDAP-LLVKDONJSA-N 2 0 239.363 0.444 20 0 BCADRP O[C@H](C[NH2+][C@@H]1CCCSC1)C[NH+]1CCCC1 ZINC000163972167 135209925 /nfs/dbraw/zinc/20/99/25/135209925.db2.gz CMUBTVBVNLEORX-VXGBXAGGSA-N 2 0 244.404 0.928 20 0 BCADRP C[C@H]([NH3+])CN1CC[NH2+]Cc2ccccc21 ZINC000261568450 135210103 /nfs/dbraw/zinc/21/01/03/135210103.db2.gz FPXFFDCTRMFPHF-JTQLQIEISA-N 2 0 205.305 0.943 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000261570066 135212273 /nfs/dbraw/zinc/21/22/73/135212273.db2.gz GOELIICOPAXDHI-HBNTYKKESA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261579553 135220305 /nfs/dbraw/zinc/22/03/05/135220305.db2.gz MHNNQBSOKFTUEP-FXBDTBDDSA-N 2 0 213.325 0.213 20 0 BCADRP [NH3+]CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000261579874 135220367 /nfs/dbraw/zinc/22/03/67/135220367.db2.gz MNDBTIZDQUQOJW-ZJUUUORDSA-N 2 0 213.325 0.359 20 0 BCADRP C[NH+](C)C1(CNC(=O)C[NH3+])CCCCCC1 ZINC000261581100 135221912 /nfs/dbraw/zinc/22/19/12/135221912.db2.gz NIZZWXJBZVZBNW-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP Cc1n[nH]cc1C[NH+]1CCC(C[NH3+])CC1 ZINC000261583392 135223924 /nfs/dbraw/zinc/22/39/24/135223924.db2.gz OZMPKOUUXALQGU-UHFFFAOYSA-N 2 0 208.309 0.889 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H]2CCCC[NH2+]2)CCC1 ZINC000261588891 135229593 /nfs/dbraw/zinc/22/95/93/135229593.db2.gz SSLGLXJBIBEOFB-VIFPVBQESA-N 2 0 211.309 0.126 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000261590664 135231018 /nfs/dbraw/zinc/23/10/18/135231018.db2.gz USYUOBXDNLKCRK-OPRDCNLKSA-N 2 0 215.341 0.459 20 0 BCADRP NC[C@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000261591771 135233024 /nfs/dbraw/zinc/23/30/24/135233024.db2.gz VPJFDIFFUSVZIA-GFCCVEGCSA-N 2 0 211.353 0.799 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000261595747 135235665 /nfs/dbraw/zinc/23/56/65/135235665.db2.gz YKGXWAKKDVVGJX-GUBZILKMSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000261595748 135235959 /nfs/dbraw/zinc/23/59/59/135235959.db2.gz YKGXWAKKDVVGJX-KXUCPTDWSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000261597525 135237056 /nfs/dbraw/zinc/23/70/56/135237056.db2.gz ZEMRZGKWEQUHJS-GHMZBOCLSA-N 2 0 223.324 0.337 20 0 BCADRP C[N@H+](C[C@H]1CCOC1)C[C@@]1(C)CC[NH2+]C1 ZINC000261547164 135239884 /nfs/dbraw/zinc/23/98/84/135239884.db2.gz LYOZCIQPKAIBEK-NEPJUHHUSA-N 2 0 212.337 0.954 20 0 BCADRP CC(C)OCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261547856 135241228 /nfs/dbraw/zinc/24/12/28/135241228.db2.gz ISQRNHFLQSTXBH-ZDUSSCGKSA-N 2 0 241.379 0.391 20 0 BCADRP C[C@]1(C[NH3+])CC[N@H+](CCN2CCCC2=O)C1 ZINC000261651230 135242408 /nfs/dbraw/zinc/24/24/08/135242408.db2.gz FCUPBPXKLGWLFW-GFCCVEGCSA-N 2 0 225.336 0.280 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000261642532 135242593 /nfs/dbraw/zinc/24/25/93/135242593.db2.gz CGWSXMOQFIEMDM-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@@H]1C ZINC000261677607 135244890 /nfs/dbraw/zinc/24/48/90/135244890.db2.gz GQBDEYSWKKLFNO-ZYHUDNBSSA-N 2 0 240.347 0.869 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000261688063 135246178 /nfs/dbraw/zinc/24/61/78/135246178.db2.gz BXJHNERMHZBGAJ-RYUDHWBXSA-N 2 0 239.363 0.668 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)[C@H]1C ZINC000261689488 135246213 /nfs/dbraw/zinc/24/62/13/135246213.db2.gz AZRYIHQVPLUKSE-LOWVWBTDSA-N 2 0 240.347 0.869 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](C)[NH3+])C1 ZINC000261719310 135247442 /nfs/dbraw/zinc/24/74/42/135247442.db2.gz FBBPYJLETUVEEI-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000084419814 135248579 /nfs/dbraw/zinc/24/85/79/135248579.db2.gz FVAXQZABMLDZNZ-SNVBAGLBSA-N 2 0 227.352 0.524 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)C2([NH3+])CC2)C1 ZINC000084419981 135248797 /nfs/dbraw/zinc/24/87/97/135248797.db2.gz AWQJLNPUTSJLIW-VIFPVBQESA-N 2 0 211.309 0.030 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000084420061 135249518 /nfs/dbraw/zinc/24/95/18/135249518.db2.gz MCYDCWWCGNXKGF-MNOVXSKESA-N 2 0 225.336 0.291 20 0 BCADRP C[C@]1(CN(CCO)Cc2cccnc2)CC[NH2+]C1 ZINC000261747800 135249897 /nfs/dbraw/zinc/24/98/97/135249897.db2.gz JHJMSXCLUURAMQ-AWEZNQCLSA-N 2 0 249.358 0.876 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261761733 135250484 /nfs/dbraw/zinc/25/04/84/135250484.db2.gz JTTICXYMTBGYGD-UTLUCORTSA-N 2 0 213.325 0.310 20 0 BCADRP COCC[N@H+](CC1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000261760754 135250861 /nfs/dbraw/zinc/25/08/61/135250861.db2.gz CXYOBFIZMNUUKN-ZDUSSCGKSA-N 2 0 242.363 0.723 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000261833723 135256034 /nfs/dbraw/zinc/25/60/34/135256034.db2.gz JHDKWKGSUYWVKC-CYBMUJFWSA-N 2 0 239.363 0.002 20 0 BCADRP [NH3+]CCN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261863005 135258254 /nfs/dbraw/zinc/25/82/54/135258254.db2.gz WPDUGAJHPBIIDL-LBPRGKRZSA-N 2 0 223.295 0.731 20 0 BCADRP C[C@@]1(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC000261891421 135260845 /nfs/dbraw/zinc/26/08/45/135260845.db2.gz TWRSXQLIWCHQGW-FRRDWIJNSA-N 2 0 223.364 0.812 20 0 BCADRP [NH3+][C@H](CNC(=O)C1([NH3+])CCCCC1)C1CC1 ZINC000261927845 135263820 /nfs/dbraw/zinc/26/38/20/135263820.db2.gz KMERDTBPHNMMJP-SNVBAGLBSA-N 2 0 225.336 0.502 20 0 BCADRP CNC(=O)[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261925976 135263882 /nfs/dbraw/zinc/26/38/82/135263882.db2.gz CFHWTKRDQSEXFZ-YPMHNXCESA-N 2 0 239.363 0.444 20 0 BCADRP CC[C@H](C(=O)NCC1C[NH2+]C1)[NH+](CC)CC ZINC000261939731 135264652 /nfs/dbraw/zinc/26/46/52/135264652.db2.gz GJMKSZXXAJCFGQ-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@]1(C[N@@H+]2CCC[C@H](OCCO)C2)CC[NH2+]C1 ZINC000261980321 135268838 /nfs/dbraw/zinc/26/88/38/135268838.db2.gz JCHNLJYVEHMOLC-QWHCGFSZSA-N 2 0 242.363 0.459 20 0 BCADRP C[C@H]1CCNC(=O)[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000262018895 135272807 /nfs/dbraw/zinc/27/28/07/135272807.db2.gz VYGZNRASHNEGPF-ONGXEEELSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000262018894 135272848 /nfs/dbraw/zinc/27/28/48/135272848.db2.gz VYGZNRASHNEGPF-MWLCHTKSSA-N 2 0 225.336 0.100 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC1=[NH+]CCCN1 ZINC000262014490 135273181 /nfs/dbraw/zinc/27/31/81/135273181.db2.gz XLERPHLJBFNWRS-SNVBAGLBSA-N 2 0 210.325 0.410 20 0 BCADRP CNC(=O)[C@]1(C)CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262033510 135274928 /nfs/dbraw/zinc/27/49/28/135274928.db2.gz OHVKHFMMAPPJKV-QWHCGFSZSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@]1(C[NH+]2CCC(C(N)=O)CC2)CC[NH2+]C1 ZINC000262123889 135280318 /nfs/dbraw/zinc/28/03/18/135280318.db2.gz XOQZKWHUJPUYSI-GFCCVEGCSA-N 2 0 225.336 0.183 20 0 BCADRP [NH3+]CCCC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262133999 135281462 /nfs/dbraw/zinc/28/14/62/135281462.db2.gz DFRJJUMWAGCCBK-UHFFFAOYSA-N 2 0 225.336 0.422 20 0 BCADRP O=C(C1C[NH2+]C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000262172118 135283850 /nfs/dbraw/zinc/28/38/50/135283850.db2.gz CRXHGLHMGWBAIT-GFCCVEGCSA-N 2 0 237.347 0.293 20 0 BCADRP C[C@@H](CNC(=O)C(C)(C)[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000262185883 135284773 /nfs/dbraw/zinc/28/47/73/135284773.db2.gz SVSRWUUKHTVIFT-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CCCC[NH2+]1 ZINC000262246789 135287294 /nfs/dbraw/zinc/28/72/94/135287294.db2.gz PQTTWQPRUXKRCD-DMDPSCGWSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262265177 135289242 /nfs/dbraw/zinc/28/92/42/135289242.db2.gz RTAWDPXEXQDVHR-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000342576765 135291927 /nfs/dbraw/zinc/29/19/27/135291927.db2.gz ATINSJXBDMHYNB-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262311961 135291949 /nfs/dbraw/zinc/29/19/49/135291949.db2.gz AORNJXXYUCFUOE-SRVKXCTJSA-N 2 0 241.379 0.864 20 0 BCADRP [NH3+]C1(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000262375834 135297368 /nfs/dbraw/zinc/29/73/68/135297368.db2.gz MHJSXCRWPNUHAX-LBPRGKRZSA-N 2 0 245.326 0.481 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000262367793 135297669 /nfs/dbraw/zinc/29/76/69/135297669.db2.gz LIGJQMZWXRHVAE-GXSJLCMTSA-N 2 0 245.392 0.135 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C[NH3+])[C@H](C)C1 ZINC000262375943 135297820 /nfs/dbraw/zinc/29/78/20/135297820.db2.gz MIGYNGXEIVTMSB-UTUOFQBUSA-N 2 0 241.379 0.770 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262374375 135298038 /nfs/dbraw/zinc/29/80/38/135298038.db2.gz MPISLLLOAYIXGO-NOHGZBONSA-N 2 0 239.363 0.700 20 0 BCADRP [NH3+]C1(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000262375832 135298085 /nfs/dbraw/zinc/29/80/85/135298085.db2.gz MHJSXCRWPNUHAX-GFCCVEGCSA-N 2 0 245.326 0.481 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000262384001 135298980 /nfs/dbraw/zinc/29/89/80/135298980.db2.gz NGBPQSCLAKEBHU-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH2+]C)[C@@H](C)C1 ZINC000262451771 135300246 /nfs/dbraw/zinc/30/02/46/135300246.db2.gz WCRNBTVJZKDERB-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH3+])[NH+]1CCCCC1 ZINC000262551343 135305595 /nfs/dbraw/zinc/30/55/95/135305595.db2.gz YMMUABBBIRLZRT-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000262582704 135306872 /nfs/dbraw/zinc/30/68/72/135306872.db2.gz QMJSPNDDDIDYFR-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000262611462 135308690 /nfs/dbraw/zinc/30/86/90/135308690.db2.gz BWRZLKTUDGQTDF-QWHCGFSZSA-N 2 0 247.342 0.848 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262626852 135309796 /nfs/dbraw/zinc/30/97/96/135309796.db2.gz LBXFOKWXYSHNGL-WHOHXGKFSA-N 2 0 239.363 0.713 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000342750349 135311096 /nfs/dbraw/zinc/31/10/96/135311096.db2.gz MBVXHWPTXCKBHD-HBNTYKKESA-N 2 0 227.352 0.346 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342746860 135311126 /nfs/dbraw/zinc/31/11/26/135311126.db2.gz VTJZTWMGEBPNBR-JQWIXIFHSA-N 2 0 227.352 0.620 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)NCC(C)(C)[NH3+])cc1 ZINC000262665572 135311809 /nfs/dbraw/zinc/31/18/09/135311809.db2.gz PIHUFBGXONOIJH-NSHDSACASA-N 2 0 235.331 0.848 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC([NH3+])(CC)CC ZINC000262660618 135311882 /nfs/dbraw/zinc/31/18/82/135311882.db2.gz ZAYAFSBXNMUJHY-ZJUUUORDSA-N 2 0 229.368 0.994 20 0 BCADRP C[C@]1(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000342712576 135313494 /nfs/dbraw/zinc/31/34/94/135313494.db2.gz AAMOLERYDWHQPE-MDZLAQPJSA-N 2 0 239.363 0.620 20 0 BCADRP CC[C@H](C(=O)NC[C@H]1CC[NH2+]C1)[NH+](CC)CC ZINC000342723472 135314789 /nfs/dbraw/zinc/31/47/89/135314789.db2.gz IWZGDRHYKASLPI-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000262716508 135315487 /nfs/dbraw/zinc/31/54/87/135315487.db2.gz DRRFCNXBSHWEMP-HBNTYKKESA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000342774814 135327161 /nfs/dbraw/zinc/32/71/61/135327161.db2.gz GKEMZZQVCPUREN-QJPTWQEYSA-N 2 0 241.379 0.641 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000342774816 135327861 /nfs/dbraw/zinc/32/78/61/135327861.db2.gz GKEMZZQVCPUREN-UTUOFQBUSA-N 2 0 241.379 0.641 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000263098460 135332798 /nfs/dbraw/zinc/33/27/98/135332798.db2.gz ZCZBUHDNPPXZER-DMDPSCGWSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000263159811 135336086 /nfs/dbraw/zinc/33/60/86/135336086.db2.gz DSORFYSMCVXKQP-JBLDHEPKSA-N 2 0 225.336 0.454 20 0 BCADRP O=C([C@@H]1CCC[NH2+]1)N1CCC2(C1)CC[NH2+]CC2 ZINC000334344368 135365476 /nfs/dbraw/zinc/36/54/76/135365476.db2.gz SLBAVHADZMJBSR-NSHDSACASA-N 2 0 237.347 0.341 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000334399520 135388677 /nfs/dbraw/zinc/38/86/77/135388677.db2.gz FDDGXJRLYNGIHI-LBPRGKRZSA-N 2 0 239.363 0.703 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080999166 135427992 /nfs/dbraw/zinc/42/79/92/135427992.db2.gz QBZVZWCDDSMCDA-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP O=C([C@@H]1CCCC[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000335037060 135870492 /nfs/dbraw/zinc/87/04/92/135870492.db2.gz GJTYRHCKTOUBOC-LBPRGKRZSA-N 2 0 237.347 0.435 20 0 BCADRP C[C@H]1CCN(C(=O)C2(C)C[NH2+]C2)C[C@@H]1C[NH3+] ZINC000335073178 135891718 /nfs/dbraw/zinc/89/17/18/135891718.db2.gz HSURPNMNYXOXGW-UWVGGRQHSA-N 2 0 225.336 0.039 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000347654174 136001387 /nfs/dbraw/zinc/00/13/87/136001387.db2.gz NDODYNJMQCYJSI-MXWKQRLJSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC[NH3+] ZINC000335293907 136005300 /nfs/dbraw/zinc/00/53/00/136005300.db2.gz HKPMYWVBMOLKHP-MNOVXSKESA-N 2 0 240.351 0.213 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCC[NH3+])C[C@@H]1C ZINC000335296089 136006181 /nfs/dbraw/zinc/00/61/81/136006181.db2.gz RCXVYCBDBCBVCT-UWVGGRQHSA-N 2 0 228.340 0.069 20 0 BCADRP C[C@@H]1CN(C(=O)C2([NH3+])CCCC2)C[C@@]1(C)C[NH3+] ZINC000335298578 136007704 /nfs/dbraw/zinc/00/77/04/136007704.db2.gz BXSVLNNGPGGCAN-ZYHUDNBSSA-N 2 0 239.363 0.701 20 0 BCADRP CC(C)[C@H]1CN(C(=O)N[C@H](C)C[NH3+])CC[N@@H+]1C ZINC000335299377 136007822 /nfs/dbraw/zinc/00/78/22/136007822.db2.gz PSTCKMDHBNJSGR-GHMZBOCLSA-N 2 0 242.367 0.315 20 0 BCADRP CNC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000335312266 136030049 /nfs/dbraw/zinc/03/00/49/136030049.db2.gz NMZHCAAZLNRVTP-ZACCUICWSA-N 2 0 225.336 0.289 20 0 BCADRP C[NH2+]CC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000335322141 136050281 /nfs/dbraw/zinc/05/02/81/136050281.db2.gz PLJATPDWAURWSG-NSHDSACASA-N 2 0 225.336 0.054 20 0 BCADRP COCC[NH+]1CCC(N[C@H](C)C[NH+](C)C)CC1 ZINC000348298567 136063295 /nfs/dbraw/zinc/06/32/95/136063295.db2.gz DETDAALJYXSCAE-GFCCVEGCSA-N 2 0 243.395 0.637 20 0 BCADRP CC(C)([NH3+])C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000335345024 136065807 /nfs/dbraw/zinc/06/58/07/136065807.db2.gz FXLUMYKYBCKADF-IUCAKERBSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000335357513 136074667 /nfs/dbraw/zinc/07/46/67/136074667.db2.gz BSVOLEXWTLMQDX-RKDXNWHRSA-N 2 0 233.315 0.755 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000335357506 136074673 /nfs/dbraw/zinc/07/46/73/136074673.db2.gz BSVOLEXWTLMQDX-BDAKNGLRSA-N 2 0 233.315 0.755 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC(C)(C)[NH3+] ZINC000335358561 136075076 /nfs/dbraw/zinc/07/50/76/136075076.db2.gz LUAKFZFGUAKVTJ-ZJUUUORDSA-N 2 0 242.367 0.635 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000335369769 136082830 /nfs/dbraw/zinc/08/28/30/136082830.db2.gz YSFSYYWXLCDEPK-WCQYABFASA-N 2 0 239.363 0.396 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000335402011 136084959 /nfs/dbraw/zinc/08/49/59/136084959.db2.gz WZNSVXWRGSLFQE-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC([NH3+])CC1)[C@@H](C)[NH3+] ZINC000335378580 136086445 /nfs/dbraw/zinc/08/64/45/136086445.db2.gz DIEIEZZMBPHNEH-KOLCDFICSA-N 2 0 227.352 0.556 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000335380579 136087531 /nfs/dbraw/zinc/08/75/31/136087531.db2.gz NKWFGZQEJBCDBM-VXGBXAGGSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@H]1CN(C(=O)c2ccc3c(c2)C[NH2+]C3)C[C@H]1[NH3+] ZINC000335383213 136087961 /nfs/dbraw/zinc/08/79/61/136087961.db2.gz ADVRLBBPOVXOGZ-TVQRCGJNSA-N 2 0 245.326 0.709 20 0 BCADRP [NH3+]C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000335383601 136088017 /nfs/dbraw/zinc/08/80/17/136088017.db2.gz BBGSMLLTTITGDZ-NSHDSACASA-N 3 0 211.353 0.799 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000335386016 136089125 /nfs/dbraw/zinc/08/91/25/136089125.db2.gz LWKCXZIRDBGSEW-PWSUYJOCSA-N 2 0 237.347 0.339 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000335390116 136090610 /nfs/dbraw/zinc/09/06/10/136090610.db2.gz MJGVPGGXKHKRAO-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000335390535 136090733 /nfs/dbraw/zinc/09/07/33/136090733.db2.gz PMNYNSJBEIBSLH-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP [NH3+]CCC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000335394207 136091592 /nfs/dbraw/zinc/09/15/92/136091592.db2.gz DQCCJPCJTIMHOI-GHMZBOCLSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+][C@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000335396195 136092504 /nfs/dbraw/zinc/09/25/04/136092504.db2.gz RVJBQBKJYOQFBF-WCQYABFASA-N 2 0 237.347 0.326 20 0 BCADRP C[NH2+]CC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000335396304 136092513 /nfs/dbraw/zinc/09/25/13/136092513.db2.gz OGKLFNNVKZFXBV-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP O=C1NCC[C@@H]1[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000335397762 136092852 /nfs/dbraw/zinc/09/28/52/136092852.db2.gz YAIZTXVOFXRLQK-RYUDHWBXSA-N 2 0 237.347 0.196 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000335398628 136093359 /nfs/dbraw/zinc/09/33/59/136093359.db2.gz IXZNSUJUWGBIKD-JQWIXIFHSA-N 2 0 233.315 0.473 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000335399997 136093631 /nfs/dbraw/zinc/09/36/31/136093631.db2.gz PIBQQROELUNKGO-NWDGAFQWSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000348663706 136115625 /nfs/dbraw/zinc/11/56/25/136115625.db2.gz FAKNVARMLSMYIX-GHMZBOCLSA-N 2 0 229.368 0.639 20 0 BCADRP C[C@@H](CNC(=O)C1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000083883708 322861161 /nfs/dbraw/zinc/86/11/61/322861161.db2.gz SPNLDCJBCJLBTK-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccnc(C[NH3+])c2)C[C@H](C)[NH2+]1 ZINC000644087197 397754441 /nfs/dbraw/zinc/75/44/41/397754441.db2.gz WGOKEUIFCBIVFF-AOOOYVTPSA-N 2 0 248.330 0.363 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000257729143 397828315 /nfs/dbraw/zinc/82/83/15/397828315.db2.gz UVOKNFSUSABJTK-GHMZBOCLSA-N 2 0 225.336 0.278 20 0 BCADRP CNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000183838450 397867441 /nfs/dbraw/zinc/86/74/41/397867441.db2.gz SMGXMCTUQBQUPT-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP C[N@H+](C[C@@H]1CCC(=O)N1)C[C@@H]1CCC[NH+](C)C1 ZINC000649539557 397933492 /nfs/dbraw/zinc/93/34/92/397933492.db2.gz ZHYMTDOJCNFXOQ-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000647891440 397934857 /nfs/dbraw/zinc/93/48/57/397934857.db2.gz BQECYHAOVRSZFM-FRRDWIJNSA-N 2 0 240.347 0.476 20 0 BCADRP C[NH2+]CCOCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000629531304 397936317 /nfs/dbraw/zinc/93/63/17/397936317.db2.gz HBBJEXCRQLZBHI-UHFFFAOYSA-N 3 0 229.368 0.330 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000446361217 397947873 /nfs/dbraw/zinc/94/78/73/397947873.db2.gz YZKCFKPIIMPVKR-JBLDHEPKSA-N 2 0 237.347 0.195 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]([NH3+])CCSC ZINC000054132941 397903533 /nfs/dbraw/zinc/90/35/33/397903533.db2.gz JJKYUSDBIREPJI-VIFPVBQESA-N 2 0 233.381 0.135 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000054133121 397903565 /nfs/dbraw/zinc/90/35/65/397903565.db2.gz IGUKUUJIKMXMCJ-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000382948115 397991424 /nfs/dbraw/zinc/99/14/24/397991424.db2.gz KVJLGYPCAOBRGN-MNOVXSKESA-N 2 0 241.379 0.973 20 0 BCADRP C[C@@H](O)CN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000649624629 398005738 /nfs/dbraw/zinc/00/57/38/398005738.db2.gz SJOQDNSMRJCSGU-LLVKDONJSA-N 2 0 242.363 0.194 20 0 BCADRP [NH3+][C@@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000372901207 398006691 /nfs/dbraw/zinc/00/66/91/398006691.db2.gz BXHDTFHRNDVJGV-PWSUYJOCSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373052895 398010365 /nfs/dbraw/zinc/01/03/65/398010365.db2.gz DGAICUFEZGBEQA-OUAUKWLOSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953164 398010857 /nfs/dbraw/zinc/01/08/57/398010857.db2.gz FVGXRAPNDJIGBH-ZYHUDNBSSA-N 2 0 239.363 0.714 20 0 BCADRP CN(C(=O)c1ccc(C[NH3+])o1)C1CC([NH3+])C1 ZINC000647073627 398011552 /nfs/dbraw/zinc/01/15/52/398011552.db2.gz GKUUYPPBDGXGLP-UHFFFAOYSA-N 2 0 223.276 0.300 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000648122443 398016646 /nfs/dbraw/zinc/01/66/46/398016646.db2.gz YBTXVGVQLGGXRF-DDHJBXDOSA-N 2 0 239.363 0.713 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000365094610 398023387 /nfs/dbraw/zinc/02/33/87/398023387.db2.gz OSRMJPSPWVUVSM-JBLDHEPKSA-N 2 0 225.336 0.454 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000637845690 398029714 /nfs/dbraw/zinc/02/97/14/398029714.db2.gz BSMXBUSCZDHXPX-GHMZBOCLSA-N 2 0 229.368 0.849 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC000637863177 398032248 /nfs/dbraw/zinc/03/22/48/398032248.db2.gz VDAXXNPADJSVEP-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH2+]CCNC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000418317509 398033479 /nfs/dbraw/zinc/03/34/79/398033479.db2.gz MWFUOIKEPVZRDY-GHMZBOCLSA-N 2 0 242.367 0.365 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000582676819 398041605 /nfs/dbraw/zinc/04/16/05/398041605.db2.gz KQISDXXEQWBGHC-UWVGGRQHSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@@H](C(=O)NC(C)(C)C)N(C)C[C@@H]1CC[NH2+]C1 ZINC000382754212 397972484 /nfs/dbraw/zinc/97/24/84/397972484.db2.gz KNVDWUFWYFELJJ-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP COC[C@@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313341742 398043790 /nfs/dbraw/zinc/04/37/90/398043790.db2.gz FXPPIFGYPVPKKG-ZJUUUORDSA-N 2 0 202.298 0.071 20 0 BCADRP CC(C)C[C@H]([NH3+])CNC[C@@H]1CCC[NH2+]C1 ZINC000414853966 398061938 /nfs/dbraw/zinc/06/19/38/398061938.db2.gz LQFJPZVNTOOSKZ-NEPJUHHUSA-N 2 0 213.369 0.949 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000638096369 398075661 /nfs/dbraw/zinc/07/56/61/398075661.db2.gz IDMOVCGCMYIPLZ-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000638189615 398078856 /nfs/dbraw/zinc/07/88/56/398078856.db2.gz DSUUJPJRDGZBCP-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP CC[NH+](CC)CCCN1C[C@H](O)C[C@@H]1COC ZINC000649764010 398091262 /nfs/dbraw/zinc/09/12/62/398091262.db2.gz NRIMYKZYZIHRCU-CHWSQXEVSA-N 2 0 244.379 0.800 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000236911216 398117455 /nfs/dbraw/zinc/11/74/55/398117455.db2.gz RUWMINDQTYSSCP-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000389568326 398113363 /nfs/dbraw/zinc/11/33/63/398113363.db2.gz ASLJFLKRWHDWSQ-QMMMGPOBSA-N 2 0 201.314 0.167 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000627157454 398114774 /nfs/dbraw/zinc/11/47/74/398114774.db2.gz ADSGFIXXFWUCSF-OUAUKWLOSA-N 2 0 240.351 0.130 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638567632 398131712 /nfs/dbraw/zinc/13/17/12/398131712.db2.gz PZFIGHVQRSWSJG-MMWGEVLESA-N 2 0 227.352 0.617 20 0 BCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC000572330600 398133723 /nfs/dbraw/zinc/13/37/23/398133723.db2.gz YLSSVYRDZFJLPL-RYUDHWBXSA-N 2 0 241.379 0.783 20 0 BCADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000247327418 322865885 /nfs/dbraw/zinc/86/58/85/322865885.db2.gz UJUAYPFYMUZSNL-QJPTWQEYSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069626436 167051766 /nfs/dbraw/zinc/05/17/66/167051766.db2.gz OHXPZJZEEVYDCJ-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000037826119 167095544 /nfs/dbraw/zinc/09/55/44/167095544.db2.gz HEWMPRMARSEMAU-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP COCC[N@H+](C)CCC[NH2+]CC1(C)COC1 ZINC000336779218 174275234 /nfs/dbraw/zinc/27/52/34/174275234.db2.gz NMYUGFQZYCTTQU-UHFFFAOYSA-N 2 0 230.352 0.581 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000094295684 487529073 /nfs/dbraw/zinc/52/90/73/487529073.db2.gz ITELZMBWONBAKZ-LLVKDONJSA-N 2 0 239.363 0.811 20 0 BCADRP CC(C)[NH2+]CCC(=O)N(C)C1CC[NH+](C)CC1 ZINC000037618211 167100160 /nfs/dbraw/zinc/10/01/60/167100160.db2.gz OHLCBTHUFVGPLW-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000257685957 487561685 /nfs/dbraw/zinc/56/16/85/487561685.db2.gz KIUXLTNZJTVBRB-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000087471691 322885875 /nfs/dbraw/zinc/88/58/75/322885875.db2.gz POEGNVZUCGPDSD-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP C1C[C@H]2C[C@@H]([NH2+][C@@H]3CCOC3)CC[N@@H+]2C1 ZINC000095015566 487566362 /nfs/dbraw/zinc/56/63/62/487566362.db2.gz JSZXLGPKWCXSBP-TUAOUCFPSA-N 2 0 210.321 0.992 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649672 487587842 /nfs/dbraw/zinc/58/78/42/487587842.db2.gz PMBYCKFYZHVNNI-LLVKDONJSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113512339 167269603 /nfs/dbraw/zinc/26/96/03/167269603.db2.gz HRDOBUXIRUCKIB-CHWSQXEVSA-N 2 0 244.379 0.656 20 0 BCADRP CCC[N@H+](C)CC(C)(C)NC(=O)C[NH2+]C1CC1 ZINC000664719465 487594754 /nfs/dbraw/zinc/59/47/54/487594754.db2.gz TUOVXOOFJDVIAF-UHFFFAOYSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCC2(C)C)C[C@@H](C)[NH2+]1 ZINC000662416114 487603999 /nfs/dbraw/zinc/60/39/99/487603999.db2.gz TWXLBEQJXLLNER-MXWKQRLJSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H](C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000674690141 487606643 /nfs/dbraw/zinc/60/66/43/487606643.db2.gz UZLRFSMLJGRFLJ-DCAQKATOSA-N 2 0 239.363 0.678 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2CNCCO2)CC1 ZINC000662245231 409537770 /nfs/dbraw/zinc/53/77/70/409537770.db2.gz JFOYTLAAOFQPPK-ZYHUDNBSSA-N 2 0 227.352 0.034 20 0 BCADRP C[NH2+][C@@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662246110 409541964 /nfs/dbraw/zinc/54/19/64/409541964.db2.gz PFGZRNAQTUOFMW-VXGBXAGGSA-N 2 0 239.363 0.191 20 0 BCADRP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CCC[NH3+])C1 ZINC000662317756 409636540 /nfs/dbraw/zinc/63/65/40/409636540.db2.gz RRUMSSJTRYSIEW-SNVBAGLBSA-N 2 0 228.340 0.023 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662317407 409637021 /nfs/dbraw/zinc/63/70/21/409637021.db2.gz ONEJLOGUTWSGBE-JHJVBQTASA-N 2 0 224.348 0.954 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(C[C@H]2C[NH2+]CCO2)C[C@H]1C ZINC000662278368 409597278 /nfs/dbraw/zinc/59/72/78/409597278.db2.gz GEFFVPIVVXLGMH-FRRDWIJNSA-N 2 0 241.379 0.389 20 0 BCADRP CO[C@@H](C[NH2+]C1(CO)CC[NH2+]CC1)C1CCC1 ZINC000662282958 409606267 /nfs/dbraw/zinc/60/62/67/409606267.db2.gz FLTKYXVNSJEOTL-LBPRGKRZSA-N 2 0 242.363 0.506 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000662404216 409699687 /nfs/dbraw/zinc/69/96/87/409699687.db2.gz MDWQRLXIZQVHHJ-VHSXEESVSA-N 2 0 225.336 0.182 20 0 BCADRP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000655245558 409701789 /nfs/dbraw/zinc/70/17/89/409701789.db2.gz OLHQHKKDYUELTD-GRYCIOLGSA-N 2 0 241.379 0.783 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000662440341 409722372 /nfs/dbraw/zinc/72/23/72/409722372.db2.gz XQBXSHHDCNYMFW-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000662564111 409761372 /nfs/dbraw/zinc/76/13/72/409761372.db2.gz YGCDBRPLNJMAQM-UTLUCORTSA-N 2 0 213.325 0.241 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653127310 409839601 /nfs/dbraw/zinc/83/96/01/409839601.db2.gz IPJIKEOQSBDWJC-QJPTWQEYSA-N 2 0 237.347 0.385 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CCC1 ZINC000653129194 409843667 /nfs/dbraw/zinc/84/36/67/409843667.db2.gz ZBGBYVCJBAUVLP-GHMZBOCLSA-N 2 0 237.347 0.515 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653133586 409850840 /nfs/dbraw/zinc/85/08/40/409850840.db2.gz RIJYMFGQBRZANK-IJLUTSLNSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000653135572 409853559 /nfs/dbraw/zinc/85/35/59/409853559.db2.gz ISHZEBVXBLPWQV-GRYCIOLGSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000069839783 409788521 /nfs/dbraw/zinc/78/85/21/409788521.db2.gz AILKYRUDLVTWTG-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653105173 409797519 /nfs/dbraw/zinc/79/75/19/409797519.db2.gz JOMLKHRKXJFQAI-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653105087 409798034 /nfs/dbraw/zinc/79/80/34/409798034.db2.gz FNVKIMLVVBRVLO-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H](CCNC(=O)C1(C[NH3+])CCCC1)[NH+](C)C ZINC000662632336 409803867 /nfs/dbraw/zinc/80/38/67/409803867.db2.gz CEQWUCORLBEETE-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]([NH3+])C1CCC1)[NH+](C)C ZINC000662632588 409803993 /nfs/dbraw/zinc/80/39/93/409803993.db2.gz FMZDAKIKQMDKLJ-KOLCDFICSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](CCNC(=O)[C@H]1CC[NH2+][C@H]1C)[NH+](C)C ZINC000662632497 409804528 /nfs/dbraw/zinc/80/45/28/409804528.db2.gz DBNOHXHXSWXRQH-DCAQKATOSA-N 2 0 227.352 0.441 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000662635428 409806548 /nfs/dbraw/zinc/80/65/48/409806548.db2.gz VNJBTFKRRPAMGV-IUCAKERBSA-N 2 0 201.314 0.051 20 0 BCADRP C[C@@H](CCNC(=O)[C@H]([NH3+])CC(F)F)[NH+](C)C ZINC000662635453 409807173 /nfs/dbraw/zinc/80/71/73/409807173.db2.gz WEZXWHJSTYOBBC-JGVFFNPUSA-N 2 0 237.294 0.425 20 0 BCADRP C[C@@H](CCNC(=O)c1coc(C[NH3+])c1)[NH+](C)C ZINC000662635425 409807188 /nfs/dbraw/zinc/80/71/88/409807188.db2.gz VLZDPCSOFUTADO-VIFPVBQESA-N 2 0 239.319 0.808 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]([NH3+])CC(F)F)[NH+](C)C ZINC000662635454 409807491 /nfs/dbraw/zinc/80/74/91/409807491.db2.gz WEZXWHJSTYOBBC-SFYZADRCSA-N 2 0 237.294 0.425 20 0 BCADRP CC[N@@H+](CC(=O)N(C)C)CC1CC[NH2+]CC1 ZINC000043497649 409854291 /nfs/dbraw/zinc/85/42/91/409854291.db2.gz VESWHMMNDAMXHF-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000653135574 409854353 /nfs/dbraw/zinc/85/43/53/409854353.db2.gz ISHZEBVXBLPWQV-UTUOFQBUSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)([NH3+])CC(=O)NCC1([NH3+])CCCC1 ZINC000662647737 409810948 /nfs/dbraw/zinc/81/09/48/409810948.db2.gz COADYYBIVBLWDH-UHFFFAOYSA-N 2 0 213.325 0.502 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000653135573 409854491 /nfs/dbraw/zinc/85/44/91/409854491.db2.gz ISHZEBVXBLPWQV-IJLUTSLNSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000662781100 409905111 /nfs/dbraw/zinc/90/51/11/409905111.db2.gz WIPRAFTYPIRDIH-VHSXEESVSA-N 2 0 223.320 0.078 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000429512793 487611270 /nfs/dbraw/zinc/61/12/70/487611270.db2.gz BZYZCRCZBIXAGL-ZJUUUORDSA-N 2 0 227.352 0.557 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000662782076 409910794 /nfs/dbraw/zinc/91/07/94/409910794.db2.gz BBWPVDVIELDIHX-PHIMTYICSA-N 2 0 237.347 0.326 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662783071 409912104 /nfs/dbraw/zinc/91/21/04/409912104.db2.gz NNOXVOZTNAUCKI-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662782560 409912680 /nfs/dbraw/zinc/91/26/80/409912680.db2.gz FXVDQDAADFUOBH-GARJFASQSA-N 2 0 225.336 0.195 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000662783947 409915038 /nfs/dbraw/zinc/91/50/38/409915038.db2.gz SOECJGKKLCVDNC-HTQZYQBOSA-N 2 0 249.305 0.473 20 0 BCADRP O=C(NCC12CC(C1)C[NH2+]2)[C@H]1CC12CC[NH2+]CC2 ZINC000662718195 409868634 /nfs/dbraw/zinc/86/86/34/409868634.db2.gz HQAMKNMCXAQBGN-IQLKVPPVSA-N 2 0 249.358 0.244 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653147553 409872096 /nfs/dbraw/zinc/87/20/96/409872096.db2.gz PMFWZDWXICZYRS-QWRGUYRKSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]([NH3+])C(C)C ZINC000662730222 409875229 /nfs/dbraw/zinc/87/52/29/409875229.db2.gz ACVYUFOULHHPTM-NXEZZACHSA-N 2 0 215.341 0.459 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000662730480 409875438 /nfs/dbraw/zinc/87/54/38/409875438.db2.gz GNDIDNXRHVEFET-PWSUYJOCSA-N 2 0 227.352 0.476 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000662765912 409887984 /nfs/dbraw/zinc/88/79/84/409887984.db2.gz FWFAMCPVJGUFDU-VXGBXAGGSA-N 2 0 249.314 0.448 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000662771541 409892813 /nfs/dbraw/zinc/89/28/13/409892813.db2.gz ZTCAGBMYTREIKF-AULYBMBSSA-N 2 0 245.326 0.643 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662837783 409946859 /nfs/dbraw/zinc/94/68/59/409946859.db2.gz KZICEJBNLOMQAC-VWYCJHECSA-N 2 0 225.336 0.467 20 0 BCADRP CN(Cc1c[nH]cn1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000662839125 409947924 /nfs/dbraw/zinc/94/79/24/409947924.db2.gz NHPJQLMRKCFWTQ-LBPRGKRZSA-N 2 0 236.319 0.758 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)c1ccccc1CC[NH3+] ZINC000662844524 409948495 /nfs/dbraw/zinc/94/84/95/409948495.db2.gz CNBUTTXDADCVDD-UHFFFAOYSA-N 2 0 249.358 0.997 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000662844944 409949473 /nfs/dbraw/zinc/94/94/73/409949473.db2.gz JAMPXYIWEZTVMO-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]C)[NH+](CC)CC ZINC000662965491 409996792 /nfs/dbraw/zinc/99/67/92/409996792.db2.gz LSKLDLRORUXBFA-MNOVXSKESA-N 2 0 229.368 0.831 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)C1(C)C[NH2+]C1 ZINC000653176200 410151429 /nfs/dbraw/zinc/15/14/29/410151429.db2.gz MUVIAPULWFSIKE-UHFFFAOYSA-N 2 0 241.379 0.690 20 0 BCADRP CN(C(=O)[C@H]1CCC[NH2+]CC1)[C@@H](C[NH3+])C1CC1 ZINC000653162325 410102170 /nfs/dbraw/zinc/10/21/70/410102170.db2.gz AISOIDKASRETJG-RYUDHWBXSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000653175945 410151551 /nfs/dbraw/zinc/15/15/51/410151551.db2.gz GTJNFYSXAAQNDO-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653162752 410106743 /nfs/dbraw/zinc/10/67/43/410106743.db2.gz FVYVQTIMGZPSDD-WDEREUQCSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)[C@@H](C)C[NH3+] ZINC000653175823 410152605 /nfs/dbraw/zinc/15/26/05/410152605.db2.gz BXTGHTSTXLQWBU-NSHDSACASA-N 2 0 229.368 0.675 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH2+]1 ZINC000653175929 410152727 /nfs/dbraw/zinc/15/27/27/410152727.db2.gz GBEDCGBDBYBSSF-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP O=C(NC1CC[NH2+]CC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655411173 410213151 /nfs/dbraw/zinc/21/31/51/410213151.db2.gz PWOPCUKYXYSZPB-AAEUAGOBSA-N 2 0 237.347 0.244 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)[C@H](C)C[NH3+] ZINC000653214391 410167602 /nfs/dbraw/zinc/16/76/02/410167602.db2.gz SBWGELADTWFZCO-SNVBAGLBSA-N 2 0 235.331 0.617 20 0 BCADRP [NH3+]CC1(CCNC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000653220983 410169357 /nfs/dbraw/zinc/16/93/57/410169357.db2.gz BYMGYGFAESVSGF-NSHDSACASA-N 2 0 239.363 0.764 20 0 BCADRP C[C@H]1CCCN(C(=O)CC[NH3+])[C@@H]1CC[NH3+] ZINC000653233409 410174776 /nfs/dbraw/zinc/17/47/76/410174776.db2.gz WNKSUNXZLQLDQW-VHSXEESVSA-N 2 0 213.325 0.311 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000653232802 410175438 /nfs/dbraw/zinc/17/54/38/410175438.db2.gz JWCVZVQRSFTVBU-VWYCJHECSA-N 2 0 227.352 0.700 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000653240173 410181998 /nfs/dbraw/zinc/18/19/98/410181998.db2.gz KYCLHHFOZZQWKK-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)[C@@H]1CC[NH3+] ZINC000653241228 410183516 /nfs/dbraw/zinc/18/35/16/410183516.db2.gz YTSOCHROQDPQII-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000655414042 410219394 /nfs/dbraw/zinc/21/93/94/410219394.db2.gz DYHMFKVXJNOYRS-JTQLQIEISA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H](C)CCCC[NH3+] ZINC000309017887 410198111 /nfs/dbraw/zinc/19/81/11/410198111.db2.gz VJAVVZXZYAEOLM-RKDXNWHRSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(CC[NH3+])CC1 ZINC000653256623 410236651 /nfs/dbraw/zinc/23/66/51/410236651.db2.gz NYTBYDFZMYDJJU-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP O=C(NCC[NH2+]C1CC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655416375 410220733 /nfs/dbraw/zinc/22/07/33/410220733.db2.gz RGOCZUHDUNVZOP-AAEUAGOBSA-N 2 0 237.347 0.244 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655416842 410225814 /nfs/dbraw/zinc/22/58/14/410225814.db2.gz BSIUXVPFIDIHRN-CMPLNLGQSA-N 2 0 225.336 0.183 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707520 410337814 /nfs/dbraw/zinc/33/78/14/410337814.db2.gz HTQHPTFOMOLBMU-XQQFMLRXSA-N 3 0 241.379 0.554 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707521 410337843 /nfs/dbraw/zinc/33/78/43/410337843.db2.gz HTQHPTFOMOLBMU-YNEHKIRRSA-N 3 0 241.379 0.554 20 0 BCADRP Cn1ccnc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712510 410342614 /nfs/dbraw/zinc/34/26/14/410342614.db2.gz HDSOUTANTLBHBD-UHFFFAOYSA-N 2 0 208.309 0.639 20 0 BCADRP COC[C@H](C)C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713745 410344097 /nfs/dbraw/zinc/34/40/97/410344097.db2.gz AAZPZBRIHPRLDQ-SNVBAGLBSA-N 2 0 200.326 0.988 20 0 BCADRP CN1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650713526 410345349 /nfs/dbraw/zinc/34/53/49/410345349.db2.gz VSCDBNFEZDRREY-UHFFFAOYSA-N 2 0 211.353 0.799 20 0 BCADRP C[C@@H]1CNC[C@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000650714247 410346673 /nfs/dbraw/zinc/34/66/73/410346673.db2.gz WZCIIPOMJCKCDX-WDEREUQCSA-N 2 0 211.353 0.703 20 0 BCADRP CCO[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000650714471 410348601 /nfs/dbraw/zinc/34/86/01/410348601.db2.gz HGZSJFGEKCMQLA-CHWSQXEVSA-N 3 0 241.379 0.282 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000122576126 410294660 /nfs/dbraw/zinc/29/46/60/410294660.db2.gz XTIRPXIZIBYAJI-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000653266642 410306266 /nfs/dbraw/zinc/30/62/66/410306266.db2.gz CTLIAIWNUVQBET-NSHDSACASA-N 2 0 227.352 0.476 20 0 BCADRP O=C(NCCC1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000653266995 410308514 /nfs/dbraw/zinc/30/85/14/410308514.db2.gz JCLCDQPNWIZTOT-LBPRGKRZSA-N 2 0 239.363 0.634 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCCC1CC[NH2+]CC1 ZINC000653268054 410318123 /nfs/dbraw/zinc/31/81/23/410318123.db2.gz ZWACAGFXOGHELH-UHFFFAOYSA-N 2 0 241.379 0.880 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000650743044 410378369 /nfs/dbraw/zinc/37/83/69/410378369.db2.gz KZZUPXOPTCLTBO-ZRUFSTJUSA-N 2 0 225.336 0.500 20 0 BCADRP CC[C@H](Cn1cncn1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650746787 410385333 /nfs/dbraw/zinc/38/53/33/410385333.db2.gz LBJWZKCOJXEZKN-LLVKDONJSA-N 2 0 237.351 0.775 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650748102 410386825 /nfs/dbraw/zinc/38/68/25/410386825.db2.gz MZVXVJNVJCDSPJ-MNOVXSKESA-N 3 0 211.353 0.832 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CCC1(C[NH3+])CC1 ZINC000650748239 410388766 /nfs/dbraw/zinc/38/87/66/410388766.db2.gz QJSWQVWPVGYZQO-LLVKDONJSA-N 3 0 229.368 0.459 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000130493108 410403335 /nfs/dbraw/zinc/40/33/35/410403335.db2.gz LRLSJUZKEPWLJN-NEPJUHHUSA-N 2 0 241.379 0.831 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CCC1CC[NH2+]CC1 ZINC000650762280 410412465 /nfs/dbraw/zinc/41/24/65/410412465.db2.gz YYPALXXZHIJYTF-ZDUSSCGKSA-N 3 0 243.395 0.720 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC[NH2+]1 ZINC000655456450 410507299 /nfs/dbraw/zinc/50/72/99/410507299.db2.gz CESPTWXAKBYCSG-DMDPSCGWSA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000655456489 410507407 /nfs/dbraw/zinc/50/74/07/410507407.db2.gz CYIOPZLCQVYMJD-GXSJLCMTSA-N 2 0 225.336 0.515 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000070087281 410590439 /nfs/dbraw/zinc/59/04/39/410590439.db2.gz NRWOKLFLOPXGIK-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP O=C(NCCC1CC[NH2+]CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000653272273 410539863 /nfs/dbraw/zinc/53/98/63/410539863.db2.gz GLMPQZMMKVICFC-UTUOFQBUSA-N 2 0 237.347 0.243 20 0 BCADRP [NH3+][C@H](C(=O)NCCC1CC[NH2+]CC1)C1CCC1 ZINC000653273130 410544784 /nfs/dbraw/zinc/54/47/84/410544784.db2.gz PXEPJSQQCKEINW-LBPRGKRZSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+][C@@H](C(=O)NCCC1CC[NH2+]CC1)C1CCC1 ZINC000653273129 410545020 /nfs/dbraw/zinc/54/50/20/410545020.db2.gz PXEPJSQQCKEINW-GFCCVEGCSA-N 2 0 239.363 0.620 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655459557 410554398 /nfs/dbraw/zinc/55/43/98/410554398.db2.gz LSKCERVVEFKVFX-WZRBSPASSA-N 2 0 239.363 0.490 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236842752 169767437 /nfs/dbraw/zinc/76/74/37/169767437.db2.gz PIGWDXKQOVFAOB-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655465370 410664431 /nfs/dbraw/zinc/66/44/31/410664431.db2.gz FOTCOCGWQRXIBE-QFOLPQNPSA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000309256852 410667336 /nfs/dbraw/zinc/66/73/36/410667336.db2.gz GRSAQAPQAGDQAG-UWVGGRQHSA-N 2 0 213.325 0.086 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000309256854 410667634 /nfs/dbraw/zinc/66/76/34/410667634.db2.gz GRSAQAPQAGDQAG-VHSXEESVSA-N 2 0 213.325 0.086 20 0 BCADRP CC(C)([NH3+])Cc1nc([C@H]2CCC[NH2+]2)no1 ZINC000309249369 410634467 /nfs/dbraw/zinc/63/44/67/410634467.db2.gz DJHJLMMCAOEVIT-SSDOTTSWSA-N 2 0 210.281 0.774 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC(C)([NH3+])CC1 ZINC000309266038 410692408 /nfs/dbraw/zinc/69/24/08/410692408.db2.gz JMMVMTDMBXQODH-SECBINFHSA-N 2 0 213.325 0.310 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655478948 410713621 /nfs/dbraw/zinc/71/36/21/410713621.db2.gz FFYVUSFJXRKVIQ-YPMHNXCESA-N 2 0 239.363 0.444 20 0 BCADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])[C@H]1CCOC1 ZINC000665234972 410727317 /nfs/dbraw/zinc/72/73/17/410727317.db2.gz NEBFCJPPFLRQHD-WUHRBBMRSA-N 2 0 242.363 0.755 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)CC[NH3+] ZINC000083348431 169769885 /nfs/dbraw/zinc/76/98/85/169769885.db2.gz VVODMSJJNPHNTP-UHFFFAOYSA-N 2 0 215.341 0.573 20 0 BCADRP CC(C)([NH3+])CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000309297931 410745538 /nfs/dbraw/zinc/74/55/38/410745538.db2.gz SDFJWOACEUXQIS-GFCCVEGCSA-N 2 0 211.353 0.799 20 0 BCADRP CC[C@H]1CN(C(=O)C2([NH3+])CC2)CC[C@H]1[NH3+] ZINC000393734750 410757548 /nfs/dbraw/zinc/75/75/48/410757548.db2.gz ASOHOKQKTNGETF-DTWKUNHWSA-N 2 0 211.309 0.064 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC(C)(C)CCC[NH3+] ZINC000393917041 410769537 /nfs/dbraw/zinc/76/95/37/410769537.db2.gz LDGWUVREKHJZBR-QMMMGPOBSA-N 2 0 201.314 0.215 20 0 BCADRP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)[C@H]1C[C@H]1C ZINC000665294018 410783210 /nfs/dbraw/zinc/78/32/10/410783210.db2.gz GXLMYCCOJARGIK-MRTMQBJTSA-N 2 0 236.319 0.775 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000655488461 410797478 /nfs/dbraw/zinc/79/74/78/410797478.db2.gz AMHTYJFQCPHHDK-LOWVWBTDSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489436 410798040 /nfs/dbraw/zinc/79/80/40/410798040.db2.gz RWKRAZMJOKUJJL-DBIOUOCHSA-N 2 0 227.352 0.426 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489439 410798215 /nfs/dbraw/zinc/79/82/15/410798215.db2.gz RWKRAZMJOKUJJL-ZRUFSTJUSA-N 2 0 227.352 0.426 20 0 BCADRP C[NH2+]C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000665296010 410802411 /nfs/dbraw/zinc/80/24/11/410802411.db2.gz LOPVFVJKXHEIOW-SRVKXCTJSA-N 2 0 211.353 0.811 20 0 BCADRP CC[NH+](CC)CCCNC(=O)CC[NH2+]C ZINC000049844291 169773713 /nfs/dbraw/zinc/77/37/13/169773713.db2.gz UHJBYSIHRHRMFE-UHFFFAOYSA-N 2 0 215.341 0.444 20 0 BCADRP CCC(C)(C)[NH+]1CCN(C(=O)CC[NH2+]C)CC1 ZINC000655493155 410816490 /nfs/dbraw/zinc/81/64/90/410816490.db2.gz CUSURUDRODEWIO-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP C[NH2+]C[C@H](C)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000665298625 410828375 /nfs/dbraw/zinc/82/83/75/410828375.db2.gz ZERIFVVSIAGVBS-AXFHLTTASA-N 2 0 200.326 0.999 20 0 BCADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C[NH3+] ZINC000019439232 169775971 /nfs/dbraw/zinc/77/59/71/169775971.db2.gz UGAWEZMMHNXESY-SNVBAGLBSA-N 2 0 215.341 0.572 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000040673667 410885555 /nfs/dbraw/zinc/88/55/55/410885555.db2.gz ASYUBAGSSHUXMH-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000040673743 410886647 /nfs/dbraw/zinc/88/66/47/410886647.db2.gz JZSKLHSVANDEKC-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CCC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396435799 410881795 /nfs/dbraw/zinc/88/17/95/410881795.db2.gz MWYFWIWLYRPMGY-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H](NC(=O)C[NH2+]C1CC1)C1CC[NH+](C)CC1 ZINC000396440637 410883366 /nfs/dbraw/zinc/88/33/66/410883366.db2.gz TXUBKHDIVAYOPJ-JTQLQIEISA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396454426 410883606 /nfs/dbraw/zinc/88/36/06/410883606.db2.gz IVMJZBMPKMJQRN-WDEREUQCSA-N 2 0 241.379 0.688 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396438957 410883661 /nfs/dbraw/zinc/88/36/61/410883661.db2.gz QQNFIJSVDXMRQC-IUCAKERBSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396446566 410883981 /nfs/dbraw/zinc/88/39/81/410883981.db2.gz CTPSTJWCSQATQB-JQWIXIFHSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000396439627 410883999 /nfs/dbraw/zinc/88/39/99/410883999.db2.gz RPXIBVQAGOIDJA-PWSUYJOCSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000040673714 410886611 /nfs/dbraw/zinc/88/66/11/410886611.db2.gz SWQTYONBQKQWSB-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000040673713 410884760 /nfs/dbraw/zinc/88/47/60/410884760.db2.gz SWQTYONBQKQWSB-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062851846 169779211 /nfs/dbraw/zinc/77/92/11/169779211.db2.gz DTIFEFWQFBFUJI-CYBMUJFWSA-N 2 0 241.379 0.834 20 0 BCADRP CC[NH+](CC)CCSCC(=O)NCC[NH2+]C ZINC000236895268 169782964 /nfs/dbraw/zinc/78/29/64/169782964.db2.gz SVKVTBYXGZRTPY-UHFFFAOYSA-N 2 0 247.408 0.397 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](C)C[NH3+])C1 ZINC000357235372 169787052 /nfs/dbraw/zinc/78/70/52/169787052.db2.gz BWHWCRDIDMZMCG-NEPJUHHUSA-N 2 0 241.379 0.772 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCC[NH2+]1 ZINC000041680052 169787641 /nfs/dbraw/zinc/78/76/41/169787641.db2.gz VCBJKHVHWMKRMH-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)CCC[NH3+])C1 ZINC000236899439 169787260 /nfs/dbraw/zinc/78/72/60/169787260.db2.gz APDMDWXZJOQRGH-LBPRGKRZSA-N 2 0 241.379 0.916 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NCCC[NH+](C)C ZINC000044794760 167394657 /nfs/dbraw/zinc/39/46/57/167394657.db2.gz VDKPDIROKIVAFF-SNVBAGLBSA-N 2 0 215.341 0.285 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000044799483 167394918 /nfs/dbraw/zinc/39/49/18/167394918.db2.gz MFKRILFOYIMUGW-LLVKDONJSA-N 2 0 227.352 0.381 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000357385739 167394943 /nfs/dbraw/zinc/39/49/43/167394943.db2.gz XLMBPOAHNBQGFQ-VXGBXAGGSA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000062073620 167395578 /nfs/dbraw/zinc/39/55/78/167395578.db2.gz IIBXEKYVUTXXEN-GFCCVEGCSA-N 2 0 241.379 0.819 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000044806559 167396590 /nfs/dbraw/zinc/39/65/90/167396590.db2.gz NVCBWYARHVFBFN-WDEREUQCSA-N 2 0 229.368 0.674 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000368122726 167512456 /nfs/dbraw/zinc/51/24/56/167512456.db2.gz BYDIJHMOMHEVNK-NWDGAFQWSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H](CNC(=O)[C@H]([NH3+])C1CCC1)[NH+]1CCCC1 ZINC000399088778 411014965 /nfs/dbraw/zinc/01/49/65/411014965.db2.gz VRKJCFOSGCKWKA-ZYHUDNBSSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH2+][C@H]1C[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000651476693 411059562 /nfs/dbraw/zinc/05/95/62/411059562.db2.gz OHEUPWKMASCTDD-ZMLRMANQSA-N 2 0 212.337 0.830 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)C[NH2+]C)C1 ZINC000092136964 169797172 /nfs/dbraw/zinc/79/71/72/169797172.db2.gz IIVZVBUWXSMTCC-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C)C[NH3+])C1 ZINC000062967644 169797532 /nfs/dbraw/zinc/79/75/32/169797532.db2.gz XGEUGHHDZRMPMM-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP OC[C@H](CCF)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000652025225 411081499 /nfs/dbraw/zinc/08/14/99/411081499.db2.gz WTEHPTSLSAXHIF-GRYCIOLGSA-N 2 0 230.327 0.923 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044538987 411137486 /nfs/dbraw/zinc/13/74/86/411137486.db2.gz WRYCAMYTUFDAMG-DGCLKSJQSA-N 2 0 241.379 0.962 20 0 BCADRP C[N@H+](CC(=O)N1CCC[NH2+]CC1)CC(C)(C)C ZINC000045074029 411144090 /nfs/dbraw/zinc/14/40/90/411144090.db2.gz JJGLTYBZFAJPIG-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CN(CCC[NH3+])C(=O)C[N@H+](C)CC(C)(C)C ZINC000045068693 411144095 /nfs/dbraw/zinc/14/40/95/411144095.db2.gz ATQRUHZIKYWMDC-UHFFFAOYSA-N 2 0 229.368 0.772 20 0 BCADRP Cc1n[nH]c(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000400910197 411163837 /nfs/dbraw/zinc/16/38/37/411163837.db2.gz BEILLCFCZPTBOV-QJPTWQEYSA-N 2 0 249.362 0.633 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)[C@@H](C)C1 ZINC000651939013 411154208 /nfs/dbraw/zinc/15/42/08/411154208.db2.gz PYFFDJVBLFUJSZ-NNYUYHANSA-N 2 0 239.363 0.570 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)[C@H](C)C1 ZINC000651939015 411154461 /nfs/dbraw/zinc/15/44/61/411154461.db2.gz PYFFDJVBLFUJSZ-WYUUTHIRSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655962928 411164389 /nfs/dbraw/zinc/16/43/89/411164389.db2.gz IUOCMUNLFMKXGU-MXWKQRLJSA-N 2 0 242.367 0.221 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000659550928 411155013 /nfs/dbraw/zinc/15/50/13/411155013.db2.gz JQNUJHWENSJNFS-MNOVXSKESA-N 2 0 242.367 0.426 20 0 BCADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000651939411 411155278 /nfs/dbraw/zinc/15/52/78/411155278.db2.gz DZLRRGZOHRBIPT-KLPPZKSPSA-N 2 0 239.363 0.713 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCC1([NH3+])CCCC1 ZINC000659551234 411156807 /nfs/dbraw/zinc/15/68/07/411156807.db2.gz UBKLOXBELLUSGW-VIFPVBQESA-N 2 0 228.340 0.294 20 0 BCADRP CNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978303 411159760 /nfs/dbraw/zinc/15/97/60/411159760.db2.gz PRECWGIKYQKSBE-NWDGAFQWSA-N 2 0 239.363 0.444 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2C[C@@H]1CC[NH2+]C1 ZINC000655942077 411160500 /nfs/dbraw/zinc/16/05/00/411160500.db2.gz GTLHNQNGNNBFKN-OTTFEQOBSA-N 2 0 223.364 0.799 20 0 BCADRP [NH3+]C[C@@H](NC(=O)CC1([NH3+])CCC1)C(F)(F)F ZINC000655504820 411115107 /nfs/dbraw/zinc/11/51/07/411115107.db2.gz KBPYSSJUMMSQSL-ZCFIWIBFSA-N 2 0 239.241 0.264 20 0 BCADRP CN1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1=O ZINC000401000864 411168569 /nfs/dbraw/zinc/16/85/69/411168569.db2.gz MRLPUHIKKJWBLQ-IRCOFANPSA-N 2 0 237.347 0.195 20 0 BCADRP CC[NH2+]CCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652204216 411168888 /nfs/dbraw/zinc/16/88/88/411168888.db2.gz JVWPCNDYKDTAIT-UHFFFAOYSA-N 2 0 242.367 0.285 20 0 BCADRP CCC[NH2+]CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652210816 411171007 /nfs/dbraw/zinc/17/10/07/411171007.db2.gz JCKWZEGIRNGBCH-UHFFFAOYSA-N 2 0 242.367 0.414 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)CCC(C)(C)[NH3+] ZINC000309555028 411171614 /nfs/dbraw/zinc/17/16/14/411171614.db2.gz MCHWPBALKLQJRG-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+]CC1(CCNC(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000652211726 411171809 /nfs/dbraw/zinc/17/18/09/411171809.db2.gz IWZLLQZQQOTECX-SNVBAGLBSA-N 2 0 240.351 0.152 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCN1CCCC1=O ZINC000405464382 411172242 /nfs/dbraw/zinc/17/22/42/411172242.db2.gz ZKMNGVSEAASAEN-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCN1CCCC1=O ZINC000405464379 411172842 /nfs/dbraw/zinc/17/28/42/411172842.db2.gz ZKMNGVSEAASAEN-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401040994 411174359 /nfs/dbraw/zinc/17/43/59/411174359.db2.gz OYZDQUKMLXHTTE-YFKTTZPYSA-N 2 0 212.337 0.735 20 0 BCADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1nncn1C ZINC000401050641 411174603 /nfs/dbraw/zinc/17/46/03/411174603.db2.gz XYTVYQBKUCCGNF-NNYUYHANSA-N 2 0 249.362 0.854 20 0 BCADRP Cn1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000401052346 411174627 /nfs/dbraw/zinc/17/46/27/411174627.db2.gz YXVYDJJNBLBXLW-MGPQQGTHSA-N 2 0 248.374 0.940 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061644094 411174728 /nfs/dbraw/zinc/17/47/28/411174728.db2.gz RDFRXSRAFZFOBN-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP CC[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000659563997 411176217 /nfs/dbraw/zinc/17/62/17/411176217.db2.gz ALNOITGUUVWRAN-OUAUKWLOSA-N 2 0 240.351 0.117 20 0 BCADRP Cn1ccnc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401105743 411177154 /nfs/dbraw/zinc/17/71/54/411177154.db2.gz FIKNENHUGJUAFV-IJLUTSLNSA-N 2 0 234.347 0.898 20 0 BCADRP c1cnn(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401123238 411177790 /nfs/dbraw/zinc/17/77/90/411177790.db2.gz KOAGCIOESACSDC-JHJVBQTASA-N 2 0 234.347 0.861 20 0 BCADRP Cn1nccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401137478 411177863 /nfs/dbraw/zinc/17/78/63/411177863.db2.gz RECOEWACXYJORF-SDDRHHMPSA-N 2 0 234.347 0.898 20 0 BCADRP c1cnn(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401123240 411178557 /nfs/dbraw/zinc/17/85/57/411178557.db2.gz KOAGCIOESACSDC-YNEHKIRRSA-N 2 0 234.347 0.861 20 0 BCADRP [NH3+]C[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000309612126 411185453 /nfs/dbraw/zinc/18/54/53/411185453.db2.gz MWAPJSTYLWJNAH-GFCCVEGCSA-N 3 0 211.353 0.657 20 0 BCADRP C[N@H+](CCNC(=O)C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000062010158 411186302 /nfs/dbraw/zinc/18/63/02/411186302.db2.gz PGSBJKDAAWVAMU-JTQLQIEISA-N 2 0 225.336 0.339 20 0 BCADRP CCOCC[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405380580 411187723 /nfs/dbraw/zinc/18/77/23/411187723.db2.gz NKRQAWMZGICFSF-GHMZBOCLSA-N 2 0 216.325 0.319 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000309623130 411188209 /nfs/dbraw/zinc/18/82/09/411188209.db2.gz IEHGDTKJEIMOOH-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP CCOCC[C@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656153714 411188636 /nfs/dbraw/zinc/18/86/36/411188636.db2.gz KUAGYCCAXCRLHW-XQQFMLRXSA-N 2 0 244.379 0.704 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000659291075 411191565 /nfs/dbraw/zinc/19/15/65/411191565.db2.gz NZQUMGKQHCHQIQ-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]CCCn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000656436288 411248255 /nfs/dbraw/zinc/24/82/55/411248255.db2.gz VDHVBYSSHAHBHG-JTQLQIEISA-N 2 0 223.324 0.169 20 0 BCADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000393252392 411194113 /nfs/dbraw/zinc/19/41/13/411194113.db2.gz DRIUKSLEHTWQRN-ZYHUDNBSSA-N 2 0 212.337 0.831 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000656192679 411198340 /nfs/dbraw/zinc/19/83/40/411198340.db2.gz SUICMGKFTOFMRM-BJDJZHNGSA-N 2 0 211.353 0.973 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000656193084 411198563 /nfs/dbraw/zinc/19/85/63/411198563.db2.gz MBRBAMNOFNYWSI-WOPDTQHZSA-N 3 0 223.364 0.988 20 0 BCADRP C[C@@H](C[NH2+][C@@H](C)Cn1cncn1)C[NH+](C)C ZINC000658017915 411198656 /nfs/dbraw/zinc/19/86/56/411198656.db2.gz MBNSKQCVVKCFHA-QWRGUYRKSA-N 2 0 225.340 0.454 20 0 BCADRP Cn1nnc2c1CC[C@H]([NH2+]CC1CC[NH2+]CC1)C2 ZINC000656193902 411200001 /nfs/dbraw/zinc/20/00/01/411200001.db2.gz XQBQMCMKVWBDOV-NSHDSACASA-N 2 0 249.362 0.262 20 0 BCADRP COC1(CO)CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000656193371 411200825 /nfs/dbraw/zinc/20/08/25/411200825.db2.gz IHFPVOGLGXXHLP-GFCCVEGCSA-N 2 0 242.363 0.459 20 0 BCADRP CCn1cnnc1CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656197415 411202737 /nfs/dbraw/zinc/20/27/37/411202737.db2.gz HXKMSIRRBLCVCM-GHMZBOCLSA-N 2 0 237.351 0.700 20 0 BCADRP Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000656197489 411203132 /nfs/dbraw/zinc/20/31/32/411203132.db2.gz MJIPZXPYAOXRAZ-SDDRHHMPSA-N 2 0 249.362 0.761 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000246234311 411203272 /nfs/dbraw/zinc/20/32/72/411203272.db2.gz FPKPZCBUZSLMKA-SRVKXCTJSA-N 2 0 239.363 0.620 20 0 BCADRP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000656197488 411203261 /nfs/dbraw/zinc/20/32/61/411203261.db2.gz MJIPZXPYAOXRAZ-QJPTWQEYSA-N 2 0 249.362 0.761 20 0 BCADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CN(C)CCO1 ZINC000656198171 411203294 /nfs/dbraw/zinc/20/32/94/411203294.db2.gz IXDZWDLTPPHPOE-WUHRBBMRSA-N 2 0 241.379 0.565 20 0 BCADRP CCO[C@@H]1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000652337231 411204232 /nfs/dbraw/zinc/20/42/32/411204232.db2.gz XIBLINHYYBRCLO-NEPJUHHUSA-N 2 0 230.352 0.458 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN(C)CC[C@@H]([NH3+])C(C)C ZINC000652335983 411204560 /nfs/dbraw/zinc/20/45/60/411204560.db2.gz WYZOQZILYUAIFC-VXGBXAGGSA-N 2 0 231.384 0.262 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000652341827 411205504 /nfs/dbraw/zinc/20/55/04/411205504.db2.gz XZFZWYVQWRIHNN-KGLIPLIRSA-N 2 0 249.358 0.841 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000424190573 411245570 /nfs/dbraw/zinc/24/55/70/411245570.db2.gz MQXDMBXNQMVQDA-WISYIIOYSA-N 2 0 237.347 0.182 20 0 BCADRP CC[C@@H]1CN(C[C@](C)(O)C[NH2+]C)CC[C@@H]1[NH3+] ZINC000652340730 411206023 /nfs/dbraw/zinc/20/60/23/411206023.db2.gz HPQVTTLCBANUNU-GRYCIOLGSA-N 2 0 229.368 0.016 20 0 BCADRP CC[C@@H]1CN(C[C@](C)(O)C[NH2+]C)CC[C@H]1[NH3+] ZINC000652340731 411206031 /nfs/dbraw/zinc/20/60/31/411206031.db2.gz HPQVTTLCBANUNU-IJLUTSLNSA-N 2 0 229.368 0.016 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000656201392 411206123 /nfs/dbraw/zinc/20/61/23/411206123.db2.gz WUJBTCVBWNYAIL-WHOHXGKFSA-N 2 0 211.353 0.796 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2[NH3+])C1 ZINC000656201394 411206296 /nfs/dbraw/zinc/20/62/96/411206296.db2.gz WUJBTCVBWNYAIL-WRWGMCAJSA-N 2 0 211.353 0.796 20 0 BCADRP COCC[NH2+]C1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000652344768 411208109 /nfs/dbraw/zinc/20/81/09/411208109.db2.gz SEUOLKZPRXFOOJ-GFCCVEGCSA-N 2 0 241.379 0.296 20 0 BCADRP C[C@H](CO)C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000652358560 411213719 /nfs/dbraw/zinc/21/37/19/411213719.db2.gz RVVFQCAFQOYXRV-NEPJUHHUSA-N 2 0 226.364 0.936 20 0 BCADRP C[C@@H](CO)C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000652358561 411213765 /nfs/dbraw/zinc/21/37/65/411213765.db2.gz RVVFQCAFQOYXRV-NWDGAFQWSA-N 2 0 226.364 0.936 20 0 BCADRP C[C@@H](Cn1cncn1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000658045543 411217342 /nfs/dbraw/zinc/21/73/42/411217342.db2.gz FREOVGOUYXNHAM-SDDRHHMPSA-N 2 0 237.351 0.596 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)C[NH2+]C(C)C ZINC000659293909 411218963 /nfs/dbraw/zinc/21/89/63/411218963.db2.gz YIJOPZGSMXYUKV-GFCCVEGCSA-N 2 0 229.368 0.864 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659295451 411225549 /nfs/dbraw/zinc/22/55/49/411225549.db2.gz SEAKIFXZRRYEFA-GFCCVEGCSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000659295859 411225704 /nfs/dbraw/zinc/22/57/04/411225704.db2.gz GEGLXDXGGLTFPR-UWVGGRQHSA-N 2 0 213.325 0.193 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC(C)([NH3+])CC1 ZINC000309765356 411227159 /nfs/dbraw/zinc/22/71/59/411227159.db2.gz JKMOYHGWKKNCRH-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129108817 411229820 /nfs/dbraw/zinc/22/98/20/411229820.db2.gz RSPAGOIFHVCQSQ-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP [NH3+]CC1(CC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000423306697 411238093 /nfs/dbraw/zinc/23/80/93/411238093.db2.gz FPGVKUZEHUWQCM-UHFFFAOYSA-N 2 0 239.363 0.718 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000659618699 411240803 /nfs/dbraw/zinc/24/08/03/411240803.db2.gz JWGUXMNTQIWJCL-WDEREUQCSA-N 2 0 242.367 0.350 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400940698 411165638 /nfs/dbraw/zinc/16/56/38/411165638.db2.gz LQCRMSINTIMPRK-FIQHERPVSA-N 2 0 239.363 0.489 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H](C)[NH3+])[NH+](C)C ZINC000309538323 411165704 /nfs/dbraw/zinc/16/57/04/411165704.db2.gz FXKXQACYTIEBEZ-RKDXNWHRSA-N 2 0 201.314 0.036 20 0 BCADRP [NH3+]CCCCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000309537531 411166160 /nfs/dbraw/zinc/16/61/60/411166160.db2.gz FTHLJZAFHYPUDP-ZJUUUORDSA-N 2 0 213.325 0.502 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH3+])[NH+](C)C ZINC000309538320 411166324 /nfs/dbraw/zinc/16/63/24/411166324.db2.gz FXKXQACYTIEBEZ-BDAKNGLRSA-N 2 0 201.314 0.036 20 0 BCADRP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n[nH]1 ZINC000400958370 411166390 /nfs/dbraw/zinc/16/63/90/411166390.db2.gz IAQDIEQPOWKAHX-GARJFASQSA-N 2 0 220.320 0.887 20 0 BCADRP CCN(C)C(=O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400956440 411166455 /nfs/dbraw/zinc/16/64/55/411166455.db2.gz HKFQWISIQLFOAO-GRYCIOLGSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(N)=O ZINC000400966996 411166468 /nfs/dbraw/zinc/16/64/68/411166468.db2.gz KYHZEDYNQYGZSF-HBNTYKKESA-N 2 0 239.363 0.476 20 0 BCADRP COC[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000400983953 411167390 /nfs/dbraw/zinc/16/73/90/411167390.db2.gz XFTPZLLSPVHMCU-LOWDOPEQSA-N 2 0 242.363 0.626 20 0 BCADRP CN(C)C(=O)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400986867 411167534 /nfs/dbraw/zinc/16/75/34/411167534.db2.gz VWPGOIDKIWGIFV-GRYCIOLGSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H](C[NH3+])n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000656458281 411268104 /nfs/dbraw/zinc/26/81/04/411268104.db2.gz UDBBTHOSFNCURQ-BDAKNGLRSA-N 2 0 209.297 0.265 20 0 BCADRP C[C@@H](C[NH3+])n1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000656457925 411268333 /nfs/dbraw/zinc/26/83/33/411268333.db2.gz KCXMWFJTYANQJB-UWVGGRQHSA-N 2 0 223.324 0.340 20 0 BCADRP CC[N@H+](CCN1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000402599002 411269925 /nfs/dbraw/zinc/26/99/25/411269925.db2.gz PXEXRGSVTMMLCT-CYBMUJFWSA-N 2 0 241.379 0.393 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000659641232 411275466 /nfs/dbraw/zinc/27/54/66/411275466.db2.gz FHVROMOYHAFXQJ-MWLCHTKSSA-N 2 0 240.351 0.130 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000659642184 411277422 /nfs/dbraw/zinc/27/74/22/411277422.db2.gz JTASSOOJHGNRTL-MNOVXSKESA-N 2 0 242.367 0.330 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000659642122 411277521 /nfs/dbraw/zinc/27/75/21/411277521.db2.gz JJNJNTYFVZTHRI-VHSXEESVSA-N 2 0 242.367 0.363 20 0 BCADRP [NH3+]CCCc1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656466347 411278654 /nfs/dbraw/zinc/27/86/54/411278654.db2.gz DCWGBJOQOLNWFU-SNVBAGLBSA-N 2 0 209.297 0.094 20 0 BCADRP c1c([C@@H]2CCC[NH2+]C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000656467406 411279812 /nfs/dbraw/zinc/27/98/12/411279812.db2.gz AWMCXLVOMHRJJI-NXEZZACHSA-N 2 0 221.308 0.280 20 0 BCADRP c1c(CC[NH+]2CCCCC2)nnn1[C@H]1CC[NH2+]C1 ZINC000656468750 411280829 /nfs/dbraw/zinc/28/08/29/411280829.db2.gz RXENOKURVDKTTR-ZDUSSCGKSA-N 2 0 249.362 0.841 20 0 BCADRP c1c(CC[NH+]2CCCCC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000656468749 411281015 /nfs/dbraw/zinc/28/10/15/411281015.db2.gz RXENOKURVDKTTR-CYBMUJFWSA-N 2 0 249.362 0.841 20 0 BCADRP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000051889764 411284437 /nfs/dbraw/zinc/28/44/37/411284437.db2.gz LVUJZYXEWSRXGL-MXWKQRLJSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NC1(C)CC[NH2+]CC1 ZINC000659644095 411295273 /nfs/dbraw/zinc/29/52/73/411295273.db2.gz VPTJCCBUDYIKRO-SECBINFHSA-N 2 0 228.340 0.036 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000130434977 411297213 /nfs/dbraw/zinc/29/72/13/411297213.db2.gz LRLSJUZKEPWLJN-VXGBXAGGSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH+](C)CCNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655768482 411250763 /nfs/dbraw/zinc/25/07/63/411250763.db2.gz FSVFBIZQYVPQRM-ZDUSSCGKSA-N 2 0 241.379 0.391 20 0 BCADRP C[C@H]([NH2+]C/C=C\CO)C1CC[NH+](C)CC1 ZINC000658131725 411255076 /nfs/dbraw/zinc/25/50/76/411255076.db2.gz DBZYDSAALRJPLN-BYCRGOAPSA-N 2 0 212.337 0.855 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000653444604 411256320 /nfs/dbraw/zinc/25/63/20/411256320.db2.gz ZHGUPCOHGZLPCE-AATLWQCWSA-N 2 0 211.309 0.062 20 0 BCADRP C[N@H+](CCNC[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000061996774 411256735 /nfs/dbraw/zinc/25/67/35/411256735.db2.gz VKFCPLRAPFPETG-CYBMUJFWSA-N 2 0 241.379 0.127 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000659325553 411353976 /nfs/dbraw/zinc/35/39/76/411353976.db2.gz UUUWFAHKVKYFJB-VXGBXAGGSA-N 2 0 241.379 0.783 20 0 BCADRP CC[C@H]1C[N@H+](CCOCC[NH3+])[C@@H](CC)CO1 ZINC000403791898 411359964 /nfs/dbraw/zinc/35/99/64/411359964.db2.gz IQCQJDOTOHGTAF-RYUDHWBXSA-N 2 0 230.352 0.851 20 0 BCADRP c1cn(C[C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)nn1 ZINC000656787586 411365483 /nfs/dbraw/zinc/36/54/83/411365483.db2.gz NXTLPRKJSIMVDP-QWHCGFSZSA-N 2 0 249.362 0.600 20 0 BCADRP C[C@]12COC[C@H]1C[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000656790971 411370259 /nfs/dbraw/zinc/37/02/59/411370259.db2.gz CGXWJBMYLJETTH-XQQFMLRXSA-N 2 0 224.348 0.954 20 0 BCADRP C[C@@H]1C[C@H](C[N@H+](C)C[C@@H]2COCCO2)CC[NH2+]1 ZINC000656790585 411370681 /nfs/dbraw/zinc/37/06/81/411370681.db2.gz BSEVCROAIRLBNZ-JHJVBQTASA-N 2 0 242.363 0.722 20 0 BCADRP C[N@H+](C[C@@H]1CCC[NH2+]C1)C[C@@H]1COCCO1 ZINC000656791353 411370970 /nfs/dbraw/zinc/37/09/70/411370970.db2.gz ZHEPGLWVRUUHJB-VXGBXAGGSA-N 2 0 228.336 0.333 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](NCC2([NH3+])CCCC2)C1 ZINC000656789772 411371106 /nfs/dbraw/zinc/37/11/06/411371106.db2.gz XVTHVVPLOWTSPE-WDEREUQCSA-N 2 0 211.353 0.846 20 0 BCADRP C[N@H+](C[C@@H]1CCC[NH2+]C1)C[C@H]1COCCO1 ZINC000656791348 411371271 /nfs/dbraw/zinc/37/12/71/411371271.db2.gz ZHEPGLWVRUUHJB-NEPJUHHUSA-N 2 0 228.336 0.333 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC1CCC([NH3+])CC1 ZINC000069840150 411372147 /nfs/dbraw/zinc/37/21/47/411372147.db2.gz CAORYMWPYQGHAZ-XNWIYYODSA-N 2 0 213.325 0.500 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)C1CC1 ZINC000372906471 411340305 /nfs/dbraw/zinc/34/03/05/411340305.db2.gz OLOJTWXFHZXNBV-MNOVXSKESA-N 2 0 225.336 0.372 20 0 BCADRP CC[NH2+]CCNC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000418316341 411377254 /nfs/dbraw/zinc/37/72/54/411377254.db2.gz JSLMNJLEDISICM-LLVKDONJSA-N 2 0 244.383 0.611 20 0 BCADRP COC[C@@H](C[NH+]1CCC(C[NH3+])CC1)OC ZINC000662233512 411381615 /nfs/dbraw/zinc/38/16/15/411381615.db2.gz GBBXLISKUUOHCK-LLVKDONJSA-N 2 0 216.325 0.319 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000040832993 168179198 /nfs/dbraw/zinc/17/91/98/168179198.db2.gz YCQYGVGBAUKAQM-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP CC1CC[NH+](CCCNC(=O)CC[NH3+])CC1 ZINC000040832986 168179648 /nfs/dbraw/zinc/17/96/48/168179648.db2.gz DMXQLOMIALQGNR-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000102559459 168179785 /nfs/dbraw/zinc/17/97/85/168179785.db2.gz ROBMDFFWJXKGLG-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP CC1CC[NH+](CCNC(=O)C(C)(C)C[NH3+])CC1 ZINC000123090361 168181054 /nfs/dbraw/zinc/18/10/54/168181054.db2.gz SIPXEEXQTQWLRX-UHFFFAOYSA-N 2 0 241.379 0.819 20 0 BCADRP CC1CC[NH+](CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000040772512 168181259 /nfs/dbraw/zinc/18/12/59/168181259.db2.gz GDFWGXCVIJBEBP-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC[NH+]1CCC(C)CC1 ZINC000070317350 168181338 /nfs/dbraw/zinc/18/13/38/168181338.db2.gz OLISDKZMAYFVJK-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](CNC(=O)C[NH3+])[NH+]1CCC(C)CC1 ZINC000236626880 168186474 /nfs/dbraw/zinc/18/64/74/168186474.db2.gz LCQLJNDZTMJRIA-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000659291501 411388669 /nfs/dbraw/zinc/38/86/69/411388669.db2.gz MAIMYDJETRMPIT-JTQLQIEISA-N 2 0 245.367 0.182 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[NH2+]C(C)C ZINC000659296954 411390080 /nfs/dbraw/zinc/39/00/80/411390080.db2.gz JMAIBCBCRZTXMZ-JTQLQIEISA-N 2 0 215.341 0.474 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000659326885 411394406 /nfs/dbraw/zinc/39/44/06/411394406.db2.gz AMYACMOQBFLSGQ-NSHDSACASA-N 2 0 239.363 0.775 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000580763863 411395522 /nfs/dbraw/zinc/39/55/22/411395522.db2.gz WIXQOWIPYREPML-RHYQMDGZSA-N 2 0 239.363 0.489 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)NCCC[NH+]1CCCC1 ZINC000336696053 411401000 /nfs/dbraw/zinc/40/10/00/411401000.db2.gz IPRLAEUMFOPSFG-VIFPVBQESA-N 2 0 249.305 0.571 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653044489 411401369 /nfs/dbraw/zinc/40/13/69/411401369.db2.gz IPJIKEOQSBDWJC-IJLUTSLNSA-N 2 0 237.347 0.385 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000653043878 411401624 /nfs/dbraw/zinc/40/16/24/411401624.db2.gz HHUIVGXCYPTNRA-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]CC1 ZINC000653046363 411402296 /nfs/dbraw/zinc/40/22/96/411402296.db2.gz WIMPEPDERSTTFZ-RYUDHWBXSA-N 2 0 239.363 0.634 20 0 BCADRP O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]CC1 ZINC000653046364 411402475 /nfs/dbraw/zinc/40/24/75/411402475.db2.gz WIMPEPDERSTTFZ-VXGBXAGGSA-N 2 0 239.363 0.634 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000653046382 411402479 /nfs/dbraw/zinc/40/24/79/411402479.db2.gz XMFNKXYUODIBJJ-RYUDHWBXSA-N 2 0 239.363 0.492 20 0 BCADRP CN(C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000653049788 411402699 /nfs/dbraw/zinc/40/26/99/411402699.db2.gz CVRPKLGREBWKBA-WOPDTQHZSA-N 2 0 237.347 0.337 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653045580 411402739 /nfs/dbraw/zinc/40/27/39/411402739.db2.gz ZPLIUVAEOWGQQX-RYUDHWBXSA-N 2 0 239.363 0.633 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000653046383 411402759 /nfs/dbraw/zinc/40/27/59/411402759.db2.gz XMFNKXYUODIBJJ-VXGBXAGGSA-N 2 0 239.363 0.492 20 0 BCADRP [NH3+]CCc1ccccc1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000653048213 411403719 /nfs/dbraw/zinc/40/37/19/411403719.db2.gz PZLMXLYARJEMED-LBPRGKRZSA-N 2 0 247.342 0.670 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]CC1 ZINC000653048184 411404321 /nfs/dbraw/zinc/40/43/21/411404321.db2.gz OABLBMNVTXFDHB-WDEREUQCSA-N 2 0 225.336 0.244 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653048229 411404337 /nfs/dbraw/zinc/40/43/37/411404337.db2.gz QNNSRGIVDKNPSH-JTQLQIEISA-N 2 0 213.325 0.102 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]CC1 ZINC000653048181 411404465 /nfs/dbraw/zinc/40/44/65/411404465.db2.gz OABLBMNVTXFDHB-GHMZBOCLSA-N 2 0 225.336 0.244 20 0 BCADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000653049008 411404760 /nfs/dbraw/zinc/40/47/60/411404760.db2.gz MBAKWKWQZRCKLH-RYUDHWBXSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000653050793 411404848 /nfs/dbraw/zinc/40/48/48/411404848.db2.gz WZTMYBBLRUIHHB-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653051267 411405565 /nfs/dbraw/zinc/40/55/65/411405565.db2.gz QGRUHGQLBBRDMG-NEPJUHHUSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653052120 411405926 /nfs/dbraw/zinc/40/59/26/411405926.db2.gz VZHLZSYDVWQLLU-MNOVXSKESA-N 2 0 227.352 0.476 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653053413 411406057 /nfs/dbraw/zinc/40/60/57/411406057.db2.gz HSJXKJWJYDJDQR-GHMZBOCLSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653053140 411406375 /nfs/dbraw/zinc/40/63/75/411406375.db2.gz WPFPPDHQCLSRDA-WCQYABFASA-N 2 0 241.379 0.866 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NC1CC[NH+](C)CC1 ZINC000659424204 411412438 /nfs/dbraw/zinc/41/24/38/411412438.db2.gz AAZHQLIWHYHCJL-UHFFFAOYSA-N 2 0 242.367 0.459 20 0 BCADRP CC[NH+](CC)CCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659424414 411412950 /nfs/dbraw/zinc/41/29/50/411412950.db2.gz UWOSSZPOSSIQOZ-UHFFFAOYSA-N 2 0 244.383 0.707 20 0 BCADRP CC[NH+](CC)CCNC(=O)N[C@@H](C)C[NH2+]C ZINC000659424339 411413014 /nfs/dbraw/zinc/41/30/14/411413014.db2.gz SHSXWMPQONWLMT-JTQLQIEISA-N 2 0 230.356 0.235 20 0 BCADRP CC[NH+](CC)CCCNC(=O)N[C@@H](C)C[NH2+]C ZINC000659426302 411413633 /nfs/dbraw/zinc/41/36/33/411413633.db2.gz YJWFTFYRSYIGJJ-NSHDSACASA-N 2 0 244.383 0.625 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)C[NH2+]C ZINC000659449091 411416498 /nfs/dbraw/zinc/41/64/98/411416498.db2.gz QFMJAFIUNRMPPH-QWRGUYRKSA-N 2 0 244.383 0.624 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)N[C@H](C)C[NH2+]C ZINC000659462740 411418389 /nfs/dbraw/zinc/41/83/89/411418389.db2.gz GSGWBMAZTACTHC-LLVKDONJSA-N 2 0 244.383 0.625 20 0 BCADRP CCn1ccnc1CNC(=O)N[C@@H](C)C[NH2+]C ZINC000659498924 411422018 /nfs/dbraw/zinc/42/20/18/411422018.db2.gz CDNOIHYYDOKIIZ-VIFPVBQESA-N 2 0 239.323 0.310 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NCC1([NH3+])CCCCC1 ZINC000659507132 411423829 /nfs/dbraw/zinc/42/38/29/411423829.db2.gz DUQKDAZFNBLKDQ-JTQLQIEISA-N 2 0 242.367 0.555 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCC[NH3+])C1 ZINC000659508302 411424023 /nfs/dbraw/zinc/42/40/23/411424023.db2.gz UGAATOCTRPKHBA-SECBINFHSA-N 2 0 228.340 0.117 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC1CCC([NH3+])CC1 ZINC000405307840 411424285 /nfs/dbraw/zinc/42/42/85/411424285.db2.gz RLLPNJAEHNCPQX-WNYYMSAVSA-N 2 0 239.363 0.890 20 0 BCADRP [NH3+]C1(CNC(=O)NC[C@@H]2CCC[NH2+]2)CCCC1 ZINC000659514871 411426523 /nfs/dbraw/zinc/42/65/23/411426523.db2.gz FVJDPIMRIDADPT-JTQLQIEISA-N 2 0 240.351 0.309 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)C[NH3+])C1 ZINC000659525418 411428122 /nfs/dbraw/zinc/42/81/22/411428122.db2.gz GEAQCFRXBCFXTK-QWRGUYRKSA-N 2 0 242.367 0.365 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@H](C)C[NH2+]C ZINC000659525274 411428313 /nfs/dbraw/zinc/42/83/13/411428313.db2.gz YIEMFYVIZNZDIG-NXEZZACHSA-N 2 0 230.356 0.411 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659531867 411429833 /nfs/dbraw/zinc/42/98/33/411429833.db2.gz FBJMMYIZWQMCQP-NXEZZACHSA-N 2 0 242.367 0.506 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NCCC1=CC[NH2+]CC1 ZINC000659537017 411430894 /nfs/dbraw/zinc/43/08/94/411430894.db2.gz CRZPBMRBKMIXIZ-JTQLQIEISA-N 2 0 240.351 0.203 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000659536134 411430979 /nfs/dbraw/zinc/43/09/79/411430979.db2.gz GKDCXSMDZGDAIQ-AEJSXWLSSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659547856 411431215 /nfs/dbraw/zinc/43/12/15/411431215.db2.gz FFKMXQGCRXCYMB-SFYZADRCSA-N 2 0 216.329 0.101 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000659537292 411431324 /nfs/dbraw/zinc/43/13/24/411431324.db2.gz RRQXOCLWZRZIBN-SNVBAGLBSA-N 2 0 228.340 0.119 20 0 BCADRP CCO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1C[NH3+] ZINC000405509341 411432445 /nfs/dbraw/zinc/43/24/45/411432445.db2.gz FHEJPKIPAKMQFO-VXGBXAGGSA-N 2 0 238.335 0.179 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000659543470 411432632 /nfs/dbraw/zinc/43/26/32/411432632.db2.gz QGMRDADNPJNNKB-GUBZILKMSA-N 2 0 228.340 0.034 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)CCCC[NH3+] ZINC000659544576 411433199 /nfs/dbraw/zinc/43/31/99/411433199.db2.gz CUFNICRHQWDAJC-ZJUUUORDSA-N 2 0 230.356 0.411 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000659561145 411436222 /nfs/dbraw/zinc/43/62/22/411436222.db2.gz GTEVEPALCSQWBL-MXWKQRLJSA-N 2 0 242.367 0.234 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NCC1([NH3+])CCCC1 ZINC000659575277 411439324 /nfs/dbraw/zinc/43/93/24/411439324.db2.gz LBKCUIWANFQBQK-SECBINFHSA-N 2 0 228.340 0.165 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659609728 411441175 /nfs/dbraw/zinc/44/11/75/411441175.db2.gz LDGYRRLVVPXSAV-QWRGUYRKSA-N 2 0 242.367 0.378 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)N(C)CC[NH3+])C1 ZINC000659608998 411441612 /nfs/dbraw/zinc/44/16/12/411441612.db2.gz HSZKODUVOISPFF-JTQLQIEISA-N 2 0 228.340 0.071 20 0 BCADRP C[NH+](C)CC1(C(=O)NCC[NH2+]C2CC2)CC1 ZINC000637829027 411443274 /nfs/dbraw/zinc/44/32/74/411443274.db2.gz VYYKQSAOYAQKCT-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659621112 411443500 /nfs/dbraw/zinc/44/35/00/411443500.db2.gz VOWNXPYNYMURIM-NXEZZACHSA-N 2 0 230.356 0.267 20 0 BCADRP CCCN(C(=O)[C@H](C)[NH2+]CC)[C@H]1CC[NH2+]C1 ZINC000637834027 411444591 /nfs/dbraw/zinc/44/45/91/411444591.db2.gz UIEIGMTUBRFMJY-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000637845526 411445224 /nfs/dbraw/zinc/44/52/24/411445224.db2.gz YPBODFCRHRDHAU-QWRGUYRKSA-N 2 0 225.336 0.524 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)N[C@@H](C)C[NH2+]C ZINC000659639911 411446159 /nfs/dbraw/zinc/44/61/59/411446159.db2.gz LQCRJVSLQJAUPW-NSHDSACASA-N 2 0 244.383 0.578 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@H](C)C[NH2+]C ZINC000418401316 411449563 /nfs/dbraw/zinc/44/95/63/411449563.db2.gz YPNKFKAKXOAJIS-GHMZBOCLSA-N 2 0 244.383 0.659 20 0 BCADRP c1cn(CC[NH2+]Cc2cnn3c2CCC3)cn1 ZINC000657289806 411451326 /nfs/dbraw/zinc/45/13/26/411451326.db2.gz SRTIWPXSFDVXAD-UHFFFAOYSA-N 2 0 231.303 0.816 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000659515050 411468619 /nfs/dbraw/zinc/46/86/19/411468619.db2.gz HJAZTWYEXMBNCP-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000659515882 411469379 /nfs/dbraw/zinc/46/93/79/411469379.db2.gz DQTUDIGRVGDLPW-SECBINFHSA-N 2 0 228.340 0.117 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](C)C[NH3+] ZINC000659526063 411483571 /nfs/dbraw/zinc/48/35/71/411483571.db2.gz KCKOUXCBBFDOEJ-NXEZZACHSA-N 2 0 230.356 0.254 20 0 BCADRP CC[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000657369585 411483866 /nfs/dbraw/zinc/48/38/66/411483866.db2.gz IBTUCSPNEMUYOV-UPJWGTAASA-N 2 0 242.363 0.600 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659526878 411484567 /nfs/dbraw/zinc/48/45/67/411484567.db2.gz RQKVIUKETDJDCV-VWYCJHECSA-N 2 0 242.367 0.350 20 0 BCADRP [NH3+]C1(CNC(=O)C[C@H]2CC[NH2+]C2)CCCCC1 ZINC000127612996 411497360 /nfs/dbraw/zinc/49/73/60/411497360.db2.gz ZLAOPCSJRMSIKB-LLVKDONJSA-N 2 0 239.363 0.764 20 0 BCADRP O=C(C[C@@H]1CC[NH2+]C1)NC[C@H]1CCCC[NH2+]1 ZINC000127629216 411498214 /nfs/dbraw/zinc/49/82/14/411498214.db2.gz FNOCGBWKYZUDEE-WDEREUQCSA-N 2 0 225.336 0.244 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@H]1CC[NH2+]C1 ZINC000127659823 411499797 /nfs/dbraw/zinc/49/97/97/411499797.db2.gz RMVUNPMNTCHAIG-MNOVXSKESA-N 2 0 227.352 0.476 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659535217 411501059 /nfs/dbraw/zinc/50/10/59/411501059.db2.gz IIRKDDIXCLRSFW-VHSXEESVSA-N 2 0 242.367 0.363 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000127680910 411501670 /nfs/dbraw/zinc/50/16/70/411501670.db2.gz ZOUOLTJWDNACSA-QWRGUYRKSA-N 2 0 227.352 0.620 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000127674347 411501815 /nfs/dbraw/zinc/50/18/15/411501815.db2.gz UPIMPHVMZAXVBD-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H](CS(C)(=O)=O)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805789 411520383 /nfs/dbraw/zinc/52/03/83/411520383.db2.gz SDDZOUORTLXBAJ-MXWKQRLJSA-N 2 0 248.392 0.349 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655807009 411520596 /nfs/dbraw/zinc/52/05/96/411520596.db2.gz GRUNRHPBVLZORD-BBBLOLIVSA-N 2 0 213.325 0.180 20 0 BCADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3c[nH]nn3)CC[C@@H]21 ZINC000660012796 411527354 /nfs/dbraw/zinc/52/73/54/411527354.db2.gz UPQDYUNEHARQQF-AAEUAGOBSA-N 2 0 249.362 0.763 20 0 BCADRP CC[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000062910954 169994625 /nfs/dbraw/zinc/99/46/25/169994625.db2.gz HYAPXIKKELUZGC-GFCCVEGCSA-N 2 0 211.353 0.624 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000044751812 170006358 /nfs/dbraw/zinc/00/63/58/170006358.db2.gz RGGQBBXYVFEMTB-JTQLQIEISA-N 2 0 227.352 0.429 20 0 BCADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)NC)C1 ZINC000309987102 170007398 /nfs/dbraw/zinc/00/73/98/170007398.db2.gz YUDCNVBFXCZKNR-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCC[NH3+])[C@@H](C)C1 ZINC000357073358 170009759 /nfs/dbraw/zinc/00/97/59/170009759.db2.gz LHANYNIRJFECJS-QWHCGFSZSA-N 2 0 243.395 0.624 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)CC[C@H](C)[NH3+])C1 ZINC000250250084 170015350 /nfs/dbraw/zinc/01/53/50/170015350.db2.gz ILDMHQHVUANJFM-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000037643499 170015372 /nfs/dbraw/zinc/01/53/72/170015372.db2.gz ZNXXXKVSVSBHRC-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000310390154 170015603 /nfs/dbraw/zinc/01/56/03/170015603.db2.gz RKFWHDXNGZKLHX-BDAKNGLRSA-N 2 0 249.305 0.427 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C)[C@H](C)C1 ZINC000362374777 170016366 /nfs/dbraw/zinc/01/63/66/170016366.db2.gz DEUNVUJSRBTOTE-NEPJUHHUSA-N 2 0 241.379 0.737 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)CCC[NH3+])[C@@H](C)C1 ZINC000336741144 170019837 /nfs/dbraw/zinc/01/98/37/170019837.db2.gz MYNRJZUWDGZZLX-RYUDHWBXSA-N 2 0 213.369 0.997 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)CCO)C[C@H]1C ZINC000336670377 170019985 /nfs/dbraw/zinc/01/99/85/170019985.db2.gz GJAIFTYDOFSICW-MNOVXSKESA-N 2 0 200.326 0.783 20 0 BCADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@H]2CN(C)CCO2)C1 ZINC000358139057 170038369 /nfs/dbraw/zinc/03/83/69/170038369.db2.gz WAEXFJZTEJQROP-RWMBFGLXSA-N 2 0 241.379 0.247 20 0 BCADRP CCN1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000332600928 170040398 /nfs/dbraw/zinc/04/03/98/170040398.db2.gz AULWXNAVCLXBSW-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP CCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309543252 170061109 /nfs/dbraw/zinc/06/11/09/170061109.db2.gz YVPMPQCQPMEPGC-PHIMTYICSA-N 2 0 225.336 0.054 20 0 BCADRP CCNC(=O)[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000036794708 170088354 /nfs/dbraw/zinc/08/83/54/170088354.db2.gz CCLQJJDPJVVZJE-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000262680432 170114800 /nfs/dbraw/zinc/11/48/00/170114800.db2.gz VTEZFPVZLXGKBD-LBPRGKRZSA-N 2 0 235.331 0.721 20 0 BCADRP CC[NH2+][C@@H](C)CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000358915910 170139822 /nfs/dbraw/zinc/13/98/22/170139822.db2.gz QICCLIVPDNLRBK-JQWIXIFHSA-N 2 0 227.352 0.490 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)c1c[nH+]ccc1N ZINC000358934649 170157469 /nfs/dbraw/zinc/15/74/69/170157469.db2.gz KNGBAUAWFFBCIM-MRVPVSSYSA-N 2 0 222.292 0.222 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000366449367 170157547 /nfs/dbraw/zinc/15/75/47/170157547.db2.gz NVYHCAUIBSXKJT-SCVCMEIPSA-N 2 0 225.336 0.100 20 0 BCADRP CCC[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000217871345 411567217 /nfs/dbraw/zinc/56/72/17/411567217.db2.gz AOIUMXITRPZOEI-RYUDHWBXSA-N 2 0 230.352 0.194 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)CN(C)CC1(CO)CC1 ZINC000660374916 411574953 /nfs/dbraw/zinc/57/49/53/411574953.db2.gz KPECJLZHXVTPLQ-GFCCVEGCSA-N 2 0 244.379 0.392 20 0 BCADRP C[NH+](C)[C@H]1CCCN(CCc2cn[nH]n2)CC1 ZINC000660415209 411582162 /nfs/dbraw/zinc/58/21/62/411582162.db2.gz BQHQROHKRHMICT-LBPRGKRZSA-N 2 0 237.351 0.763 20 0 BCADRP CN1CCC([NH2+][C@H]2C[C@H](O)C23CCC3)CC1 ZINC000657704257 411583761 /nfs/dbraw/zinc/58/37/61/411583761.db2.gz RJVLNNVHNJUTQK-RYUDHWBXSA-N 2 0 224.348 0.974 20 0 BCADRP C[C@@H](Cn1cncn1)[NH2+]CC1CC[NH+](C)CC1 ZINC000657872363 411613858 /nfs/dbraw/zinc/61/38/58/411613858.db2.gz NIUHLNXKQFOBME-NSHDSACASA-N 2 0 237.351 0.598 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659375 411614036 /nfs/dbraw/zinc/61/40/36/411614036.db2.gz ORVPHAGNRNXCMI-QWHCGFSZSA-N 2 0 242.363 0.411 20 0 BCADRP CN(CCC[NH3+])Cc1cccc(C(N)=O)c1 ZINC000133218754 411657058 /nfs/dbraw/zinc/65/70/58/411657058.db2.gz ITIGKYBRGYEQJA-UHFFFAOYSA-N 2 0 221.304 0.566 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000663496693 411671841 /nfs/dbraw/zinc/67/18/41/411671841.db2.gz HXMKUNNOKWYEGL-JCIQBVFBSA-N 3 0 209.337 0.039 20 0 BCADRP C(N[C@H]1CC[NH2+]C1)c1nc2c(s1)C[NH2+]CC2 ZINC000663494060 411672930 /nfs/dbraw/zinc/67/29/30/411672930.db2.gz LORTURLFNDXIJD-QMMMGPOBSA-N 2 0 238.360 0.240 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493685 411672943 /nfs/dbraw/zinc/67/29/43/411672943.db2.gz CXRCHFXTWULXPF-UPJWGTAASA-N 2 0 225.380 0.901 20 0 BCADRP CC[NH2+]CC1CC[NH+](C[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC000663494615 411674249 /nfs/dbraw/zinc/67/42/49/411674249.db2.gz JQFOKEBNTXPMIE-UONOGXRCSA-N 3 0 237.391 0.917 20 0 BCADRP [NH3+]C1(CNC[C@@]23C[C@@H]2C[NH2+]C3)CCCCC1 ZINC000663494542 411674690 /nfs/dbraw/zinc/67/46/90/411674690.db2.gz PGUVKOHSEYMLQS-NEPJUHHUSA-N 2 0 223.364 0.847 20 0 BCADRP CC(C)[C@H]1CN(C[C@]23C[C@H]2C[NH2+]C3)CC[NH2+]1 ZINC000663495262 411675421 /nfs/dbraw/zinc/67/54/21/411675421.db2.gz WLPNDVFDLBGGGT-YNEHKIRRSA-N 2 0 223.364 0.526 20 0 BCADRP C[C@@H](CC[NH3+])NCc1nc2c(s1)C[NH2+]CC2 ZINC000663495657 411675461 /nfs/dbraw/zinc/67/54/61/411675461.db2.gz ADSIGNZBLFIITK-QMMMGPOBSA-N 2 0 240.376 0.616 20 0 BCADRP C(N(C1CC1)[C@H]1CC[NH2+]C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663495909 411676561 /nfs/dbraw/zinc/67/65/61/411676561.db2.gz QGZLOVZBQPHSLL-WCFLWFBJSA-N 2 0 221.348 0.422 20 0 BCADRP C(NCC12CC(C1)C[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000663497119 411678380 /nfs/dbraw/zinc/67/83/80/411678380.db2.gz CCDSRXSRHSVXTN-UNXYVOJBSA-N 2 0 209.337 0.328 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@]12C[C@H]1C[NH2+]C2 ZINC000663498042 411681687 /nfs/dbraw/zinc/68/16/87/411681687.db2.gz RDBBTKIUCZUVEJ-NOOOWODRSA-N 2 0 209.337 0.184 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663498390 411681913 /nfs/dbraw/zinc/68/19/13/411681913.db2.gz SGELFPNWHQQFDJ-USZNOCQGSA-N 2 0 209.337 0.326 20 0 BCADRP C(N[C@H]1CCCC[NH2+]C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663500202 411683022 /nfs/dbraw/zinc/68/30/22/411683022.db2.gz YXIQRZKLCKXWDH-SDDRHHMPSA-N 2 0 209.337 0.328 20 0 BCADRP C[C@@H](C[C@H]1CCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000663499979 411683959 /nfs/dbraw/zinc/68/39/59/411683959.db2.gz HOGIKCJQJLHLNH-GMKTYKIGSA-N 2 0 223.364 0.859 20 0 BCADRP C[C@H]1C[C@@H](C[NH2+]CC23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000663501576 411686519 /nfs/dbraw/zinc/68/65/19/411686519.db2.gz XSAQCDDAFYGPDW-ZSVAQUKISA-N 3 0 223.364 0.716 20 0 BCADRP C[C@H]1C[C@H](C[N@@H+]2CC[C@@H](F)[C@H](N)C2)CC[NH2+]1 ZINC000663506115 411687741 /nfs/dbraw/zinc/68/77/41/411687741.db2.gz QAQXCQQVGGFYBU-IRCOFANPSA-N 2 0 229.343 0.746 20 0 BCADRP Cc1ccc(NCCCNC(=O)[C@@H]2C[C@@H]2[NH3+])nc1 ZINC000424136576 411691054 /nfs/dbraw/zinc/69/10/54/411691054.db2.gz AUYHZNARCHPJAC-MNOVXSKESA-N 2 0 248.330 0.655 20 0 BCADRP C[NH2+]C[C@@H](C)NCc1nc2c(s1)C[NH2+]CC2 ZINC000663514667 411694357 /nfs/dbraw/zinc/69/43/57/411694357.db2.gz RYBUBWAWXJDDKZ-MRVPVSSYSA-N 2 0 240.376 0.486 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(CO)(CO)C1 ZINC000661948262 411918552 /nfs/dbraw/zinc/91/85/52/411918552.db2.gz NPLPSDGYLOTXQW-LBPRGKRZSA-N 2 0 242.363 0.147 20 0 BCADRP C[C@H]([NH3+])CCC(=O)Nc1ccc(N)nc1 ZINC000381457384 411919636 /nfs/dbraw/zinc/91/96/36/411919636.db2.gz JSPBVUFVJPGTPF-ZETCQYMHSA-N 2 0 208.265 0.730 20 0 BCADRP C[C@H]([NH2+]Cc1ccc(N)nc1)[C@H]1CCC[NH2+]C1 ZINC000647546203 411922486 /nfs/dbraw/zinc/92/24/86/411922486.db2.gz FJOLDGDMYQJIGW-JQWIXIFHSA-N 2 0 234.347 1.142 20 0 BCADRP C[C@H]1CC[N@H+](Cc2ccnc(N)c2)C[C@@H]1C[NH3+] ZINC000420407254 411928019 /nfs/dbraw/zinc/92/80/19/411928019.db2.gz OHYBCOGDFGEDGZ-JQWIXIFHSA-N 2 0 234.347 1.081 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(N)nc1 ZINC000647508959 411930587 /nfs/dbraw/zinc/93/05/87/411930587.db2.gz BVUMAJGZZXJTAX-ONGXEEELSA-N 2 0 220.320 0.833 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N)nc1 ZINC000647546981 411931048 /nfs/dbraw/zinc/93/10/48/411931048.db2.gz JEZILARBPYWWSN-ONGXEEELSA-N 2 0 220.320 0.751 20 0 BCADRP Nc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cn1 ZINC000647547772 411975779 /nfs/dbraw/zinc/97/57/79/411975779.db2.gz DDGYSARGHMTYJC-KOLCDFICSA-N 2 0 220.320 0.881 20 0 BCADRP Nc1nc(N2CCC[C@@H]([NH3+])C2)c2c([nH+]1)CCCC2 ZINC000647704014 411981265 /nfs/dbraw/zinc/98/12/65/411981265.db2.gz ZDFKOUPSVLQLNH-SECBINFHSA-N 2 0 247.346 0.865 20 0 BCADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1CCC[NH2+]1 ZINC000664718681 412014476 /nfs/dbraw/zinc/01/44/76/412014476.db2.gz AETAUFGHPBELPK-LLVKDONJSA-N 2 0 241.379 0.975 20 0 BCADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]([NH3+])CC ZINC000664719059 412014667 /nfs/dbraw/zinc/01/46/67/412014667.db2.gz LTVRJHYAIVUYPG-SNVBAGLBSA-N 2 0 229.368 0.960 20 0 BCADRP C[NH2+]C[C@H]1CCCN([C@@H]2CCCN(C)C2=O)C1 ZINC000662236134 412033915 /nfs/dbraw/zinc/03/39/15/412033915.db2.gz CTOBERMAZZOJAD-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP COC[C@H](C[N@H+](C)C1CC[NH2+]CC1)OC ZINC000662238455 412035044 /nfs/dbraw/zinc/03/50/44/412035044.db2.gz QBJVMNWNGJVOPO-NSHDSACASA-N 2 0 216.325 0.332 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662243701 412039178 /nfs/dbraw/zinc/03/91/78/412039178.db2.gz OXZNUPZQHXXMOK-RYUDHWBXSA-N 2 0 239.363 0.321 20 0 BCADRP CCc1nnc([C@H](C)N2CC[C@H](C[NH3+])C2)[nH]1 ZINC000662245138 412041896 /nfs/dbraw/zinc/04/18/96/412041896.db2.gz RQDUMKQZQDCGRA-DTWKUNHWSA-N 2 0 223.324 0.709 20 0 BCADRP CCc1nnc([C@H](C)N2CC[C@@H](C[NH3+])C2)[nH]1 ZINC000662245145 412042149 /nfs/dbraw/zinc/04/21/49/412042149.db2.gz RQDUMKQZQDCGRA-IUCAKERBSA-N 2 0 223.324 0.709 20 0 BCADRP CCN1CC[C@@H](N(C)CC[C@H]([NH3+])C(C)C)C1=O ZINC000662247625 412044846 /nfs/dbraw/zinc/04/48/46/412044846.db2.gz HGWYJDDSLCRZED-NWDGAFQWSA-N 2 0 241.379 0.912 20 0 BCADRP CCN1CC[C@H](N2CCC[C@@H]([C@@H](C)[NH3+])C2)C1=O ZINC000662246883 412045133 /nfs/dbraw/zinc/04/51/33/412045133.db2.gz UQZJCZFBXJJTJV-UTUOFQBUSA-N 2 0 239.363 0.666 20 0 BCADRP COC[C@@H](C[NH+]1CCC([C@@H](C)[NH3+])CC1)OC ZINC000662247206 412045216 /nfs/dbraw/zinc/04/52/16/412045216.db2.gz VIONYAKCMMVJND-ZYHUDNBSSA-N 2 0 230.352 0.707 20 0 BCADRP C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248469 412046162 /nfs/dbraw/zinc/04/61/62/412046162.db2.gz CGQQAVDVMAKIRS-RYUDHWBXSA-N 2 0 240.347 0.618 20 0 BCADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[NH+]1CCSCC1 ZINC000662249493 412047408 /nfs/dbraw/zinc/04/74/08/412047408.db2.gz VQZHSBDVHHTASY-JTQLQIEISA-N 2 0 228.361 0.556 20 0 BCADRP C[C@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254627 412048510 /nfs/dbraw/zinc/04/85/10/412048510.db2.gz QVVOCDWDHYXCID-WDEREUQCSA-N 2 0 210.321 0.849 20 0 BCADRP CCOCC[N@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255044 412048568 /nfs/dbraw/zinc/04/85/68/412048568.db2.gz VZWKXYIQLVHQKX-GFCCVEGCSA-N 2 0 242.363 0.866 20 0 BCADRP CC[N@H+](CCCO)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256286 412051273 /nfs/dbraw/zinc/05/12/73/412051273.db2.gz KIRRKGFGAPJUTR-LLVKDONJSA-N 2 0 228.336 0.212 20 0 BCADRP C[N@H+](C[C@H]1CCOC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662259245 412052936 /nfs/dbraw/zinc/05/29/36/412052936.db2.gz SRJQMGODKALNDH-VXGBXAGGSA-N 2 0 240.347 0.476 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC[NH3+] ZINC000375848637 171099081 /nfs/dbraw/zinc/09/90/81/171099081.db2.gz LFTMRJUSFLDXCP-VXGBXAGGSA-N 2 0 239.363 0.811 20 0 BCADRP C([C@@H]1CNCCO1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000662279678 412071695 /nfs/dbraw/zinc/07/16/95/412071695.db2.gz AVFKSAYENPGKQE-LBPRGKRZSA-N 2 0 240.347 0.477 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000353540104 171145981 /nfs/dbraw/zinc/14/59/81/171145981.db2.gz YLZZTKZZAAUJDO-NAKRPEOUSA-N 2 0 225.336 0.323 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000335409106 171149450 /nfs/dbraw/zinc/14/94/50/171149450.db2.gz AGIYBSIJDNYJQR-NEPJUHHUSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@H+](CC[C@H]1CCCCO1)C[C@@H](O)C[NH3+] ZINC000662276555 412069166 /nfs/dbraw/zinc/06/91/66/412069166.db2.gz KJMMHEYNGOIEGI-WDEREUQCSA-N 2 0 216.325 0.197 20 0 BCADRP CN(CC[NH3+])Cc1cccc2c1CC[NH2+]C2 ZINC000662280654 412071178 /nfs/dbraw/zinc/07/11/78/412071178.db2.gz GMLCIASQPZNLGF-UHFFFAOYSA-N 2 0 219.332 0.723 20 0 BCADRP CC[C@@]1(C(=O)N2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000119217362 171194388 /nfs/dbraw/zinc/19/43/88/171194388.db2.gz PPNDFHVARPQQHX-ZYHUDNBSSA-N 2 0 225.336 0.326 20 0 BCADRP CC[C@@]1(C(=O)N[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000364574921 171195885 /nfs/dbraw/zinc/19/58/85/171195885.db2.gz AOMAGGNSRHWXOY-ZYHUDNBSSA-N 2 0 225.336 0.244 20 0 BCADRP CC[C@@]1(C(=O)N[C@H](C)CC[NH3+])CCC[NH2+]1 ZINC000336734138 171195954 /nfs/dbraw/zinc/19/59/54/171195954.db2.gz HENSIQPILJTQRV-KOLCDFICSA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@@]1(C(=O)NC[C@@H](C)C[NH3+])CCC[NH2+]1 ZINC000336740563 171196331 /nfs/dbraw/zinc/19/63/31/171196331.db2.gz MKULPCRFDIIUBH-ONGXEEELSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@@]1(C(=O)NCC[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000360465664 171196349 /nfs/dbraw/zinc/19/63/49/171196349.db2.gz GWAASYWLXNMAPW-DGCLKSJQSA-N 2 0 239.363 0.492 20 0 BCADRP CC[C@@]1(C(=O)NC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000362164329 171196434 /nfs/dbraw/zinc/19/64/34/171196434.db2.gz VGSWRGAZSIGDSF-GFCCVEGCSA-N 2 0 225.336 0.244 20 0 BCADRP CC[C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)[NH+](C)C ZINC000248587562 171225763 /nfs/dbraw/zinc/22/57/63/171225763.db2.gz GMTSEJAMHGJFDY-FIQHERPVSA-N 2 0 239.363 0.522 20 0 BCADRP CC[C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)[NH+](C)C ZINC000186921847 171225909 /nfs/dbraw/zinc/22/59/09/171225909.db2.gz GMTSEJAMHGJFDY-WHOHXGKFSA-N 2 0 239.363 0.522 20 0 BCADRP C[NH2+]CCCN(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662281555 412072824 /nfs/dbraw/zinc/07/28/24/412072824.db2.gz NUBIUKCSJPOZIK-LLVKDONJSA-N 2 0 227.352 0.049 20 0 BCADRP CC[C@H](C(=O)NC[C@H](C)[NH2+]C)[NH+](CC)CC ZINC000339136287 171229717 /nfs/dbraw/zinc/22/97/17/171229717.db2.gz JTPRRWIBDOQTTK-WDEREUQCSA-N 2 0 229.368 0.831 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000338272782 171231652 /nfs/dbraw/zinc/23/16/52/171231652.db2.gz UNRHWIFEWOVOOU-ZYHUDNBSSA-N 2 0 239.363 0.680 20 0 BCADRP CC[C@H](C(=O)N[C@H](C)C[NH+](C)C)[NH+](C)C ZINC000346134257 171232613 /nfs/dbraw/zinc/23/26/13/171232613.db2.gz BZYRBRXOTBXKEW-NXEZZACHSA-N 2 0 215.341 0.393 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)OC ZINC000662282621 412073238 /nfs/dbraw/zinc/07/32/38/412073238.db2.gz PDQFWEYNNFHKQX-UTUOFQBUSA-N 2 0 230.352 0.565 20 0 BCADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CNCCO2)C[C@@H]1C[NH3+] ZINC000662282401 412073271 /nfs/dbraw/zinc/07/32/71/412073271.db2.gz HEZBNYMWEDDTTK-VOAKCMCISA-N 2 0 241.379 0.280 20 0 BCADRP CC[C@H](C(N)=O)[NH+]1CCC(CC[NH2+]C)CC1 ZINC000069730510 171243478 /nfs/dbraw/zinc/24/34/78/171243478.db2.gz TUKAORZQACGHLE-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662283291 412074878 /nfs/dbraw/zinc/07/48/78/412074878.db2.gz HCJVMMTZUNCUHU-GRYCIOLGSA-N 3 0 239.363 0.319 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000226396544 171306608 /nfs/dbraw/zinc/30/66/08/171306608.db2.gz OMWRWJZMLODALI-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000226397273 171306939 /nfs/dbraw/zinc/30/69/39/171306939.db2.gz XUXYCUZWUVKJSZ-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP CCN1CC[C@@H]([NH+]2CCC(CC[NH3+])CC2)C1=O ZINC000662285056 412078176 /nfs/dbraw/zinc/07/81/76/412078176.db2.gz VKDLGWFSIZORDJ-GFCCVEGCSA-N 2 0 239.363 0.668 20 0 BCADRP CC(C)OCCC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285922 412078280 /nfs/dbraw/zinc/07/82/80/412078280.db2.gz AJCFQCDWZRETPY-UHFFFAOYSA-N 2 0 230.352 0.506 20 0 BCADRP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514416 171333693 /nfs/dbraw/zinc/33/36/93/171333693.db2.gz MSRJWOZMLCSYIG-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662292931 412081888 /nfs/dbraw/zinc/08/18/88/412081888.db2.gz PREWPLISYKXCLL-LLVKDONJSA-N 2 0 225.336 0.183 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000375255224 171370279 /nfs/dbraw/zinc/37/02/79/171370279.db2.gz DMRBEGHKNLMXCL-KKJSVHSVSA-N 2 0 239.363 0.841 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000040807184 171371225 /nfs/dbraw/zinc/37/12/25/171371225.db2.gz JQBLLONYWZTMPB-VHSXEESVSA-N 2 0 229.368 0.816 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726767 171371394 /nfs/dbraw/zinc/37/13/94/171371394.db2.gz DBBJGEUQUUHWJV-HOSYDEDBSA-N 2 0 239.363 0.713 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH3+] ZINC000309004420 171371770 /nfs/dbraw/zinc/37/17/70/171371770.db2.gz PFIZNFTVLGIJMH-XHNCKOQMSA-N 2 0 201.314 0.071 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000011959309 171393956 /nfs/dbraw/zinc/39/39/56/171393956.db2.gz UFPGKKCEKGXULP-UWVGGRQHSA-N 2 0 215.341 0.428 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000134105446 171394337 /nfs/dbraw/zinc/39/43/37/171394337.db2.gz XBTQQLFEDXMCAZ-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368104653 171394554 /nfs/dbraw/zinc/39/45/54/171394554.db2.gz IKQJXNCJNZKQOA-BJDJZHNGSA-N 2 0 239.363 0.428 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](C)[NH2+]C ZINC000308979004 171394969 /nfs/dbraw/zinc/39/49/69/171394969.db2.gz HLHFHEWQAKHUHE-CIUDSAMLSA-N 2 0 201.314 0.084 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000040469075 171394991 /nfs/dbraw/zinc/39/49/91/171394991.db2.gz FVDNLMRZZJWPRH-GUBZILKMSA-N 2 0 215.341 0.426 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000019480116 171395085 /nfs/dbraw/zinc/39/50/85/171395085.db2.gz VCLGQFZCLYCOTD-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH3+] ZINC000309004417 171395586 /nfs/dbraw/zinc/39/55/86/171395586.db2.gz PFIZNFTVLGIJMH-CIUDSAMLSA-N 2 0 201.314 0.071 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000662387166 412140815 /nfs/dbraw/zinc/14/08/15/412140815.db2.gz ITWWLEWYZVRGFT-TUAOUCFPSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000662303112 412086494 /nfs/dbraw/zinc/08/64/94/412086494.db2.gz SQNRNDHRPQKCSU-XQQFMLRXSA-N 2 0 242.363 0.315 20 0 BCADRP C[N@@H+](CC1=CCCOC1)C[C@@H]1CC[NH2+]C1 ZINC000662305614 412090399 /nfs/dbraw/zinc/09/03/99/412090399.db2.gz LBZNSAYBOLKHMR-LLVKDONJSA-N 2 0 210.321 0.874 20 0 BCADRP CN1CC[N@H+](CC[C@H]2CCC[NH2+]C2)CCC1=O ZINC000662313083 412094207 /nfs/dbraw/zinc/09/42/07/412094207.db2.gz JJMMYVCFEMSZGZ-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@@H]1CC[N@H+](CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000662315250 412095802 /nfs/dbraw/zinc/09/58/02/412095802.db2.gz QZQVNXVVVYMKMF-OLZOCXBDSA-N 2 0 241.379 0.391 20 0 BCADRP CCN(C)C(=O)CCN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662325142 412102529 /nfs/dbraw/zinc/10/25/29/412102529.db2.gz CKXVFQWTNVOBNC-NXEZZACHSA-N 2 0 231.315 0.226 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662393082 412143288 /nfs/dbraw/zinc/14/32/88/412143288.db2.gz ATNROOSFXFYXQM-SECBINFHSA-N 2 0 223.320 0.221 20 0 BCADRP [NH3+][C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000662323887 412103008 /nfs/dbraw/zinc/10/30/08/412103008.db2.gz TUJJKRWZJMAKGO-GMTAPVOTSA-N 2 0 215.316 0.357 20 0 BCADRP CN(C[C@@H]1CC[NH2+]C1)[C@@H](C[NH3+])C(F)(F)F ZINC000662328886 412104456 /nfs/dbraw/zinc/10/44/56/412104456.db2.gz WFHBKXSRJDQUKL-SFYZADRCSA-N 2 0 225.258 0.417 20 0 BCADRP C[C@H]([NH3+])CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662327288 412104721 /nfs/dbraw/zinc/10/47/21/412104721.db2.gz MDZARLJWMCTRAO-RYUDHWBXSA-N 2 0 229.368 0.376 20 0 BCADRP C[C@@H]([NH3+])CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662327289 412105265 /nfs/dbraw/zinc/10/52/65/412105265.db2.gz MDZARLJWMCTRAO-VXGBXAGGSA-N 2 0 229.368 0.376 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000662337827 412108500 /nfs/dbraw/zinc/10/85/00/412108500.db2.gz URKYWTZOEBCQER-NSHDSACASA-N 2 0 227.352 0.537 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])c1 ZINC000662393117 412143314 /nfs/dbraw/zinc/14/33/14/412143314.db2.gz PAYKMAIFCDSJQI-NWDGAFQWSA-N 2 0 249.314 0.448 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC1CC[NH+](C)CC1 ZINC000662357052 412121509 /nfs/dbraw/zinc/12/15/09/412121509.db2.gz SMDNOCQOCIJPEA-SNVBAGLBSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC1CC[NH+](C)CC1 ZINC000662357051 412121619 /nfs/dbraw/zinc/12/16/19/412121619.db2.gz SMDNOCQOCIJPEA-JTQLQIEISA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000662365544 412125541 /nfs/dbraw/zinc/12/55/41/412125541.db2.gz UBGOCRFEKRFCQG-GFCCVEGCSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)(C[NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000132611505 412131606 /nfs/dbraw/zinc/13/16/06/412131606.db2.gz VYBZEIMDALBZKD-UHFFFAOYSA-N 2 0 213.325 0.357 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000662451117 412179596 /nfs/dbraw/zinc/17/95/96/412179596.db2.gz ZSIZFHQQNPMAIS-UTUOFQBUSA-N 2 0 241.379 0.973 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH2+]C(C)C ZINC000662454554 412181732 /nfs/dbraw/zinc/18/17/32/412181732.db2.gz NVSLEFPSHFBQIU-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000662554439 412214606 /nfs/dbraw/zinc/21/46/06/412214606.db2.gz VBXDRDNQEAUSPF-JQWIXIFHSA-N 2 0 227.352 0.490 20 0 BCADRP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CC[NH2+]C1 ZINC000665241464 412185266 /nfs/dbraw/zinc/18/52/66/412185266.db2.gz NDLIVJIMNJPYGU-JQWIXIFHSA-N 2 0 234.347 0.861 20 0 BCADRP CO[C@@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000665244056 412187586 /nfs/dbraw/zinc/18/75/86/412187586.db2.gz FSXANZXUBQVJPR-LNFKQOIKSA-N 2 0 216.325 0.363 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000662474812 412188152 /nfs/dbraw/zinc/18/81/52/412188152.db2.gz CSBZQVLPBFQWOV-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1([NH3+])CCCC1 ZINC000665246729 412191036 /nfs/dbraw/zinc/19/10/36/412191036.db2.gz MNJYGFOLLIXIJW-SDDRHHMPSA-N 2 0 241.379 0.600 20 0 BCADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1([NH3+])CCCC1 ZINC000665246728 412191373 /nfs/dbraw/zinc/19/13/73/412191373.db2.gz MNJYGFOLLIXIJW-QJPTWQEYSA-N 2 0 241.379 0.600 20 0 BCADRP CC1(C)NC(=O)CC[C@@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000665246521 412191490 /nfs/dbraw/zinc/19/14/90/412191490.db2.gz HNIDRWNNSPSOKG-JTQLQIEISA-N 2 0 239.363 0.905 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](CC)[NH2+]C ZINC000662555042 412214926 /nfs/dbraw/zinc/21/49/26/412214926.db2.gz YNSOJBBPNLSUKL-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000662496827 412195814 /nfs/dbraw/zinc/19/58/14/412195814.db2.gz BWZXMRHNENHEEB-PWSUYJOCSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000662515935 412201511 /nfs/dbraw/zinc/20/15/11/412201511.db2.gz VEWAWONSHBIGIR-WDEREUQCSA-N 2 0 227.352 0.441 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000662514430 412201698 /nfs/dbraw/zinc/20/16/98/412201698.db2.gz KAAGCYLQNIODIV-JQWIXIFHSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000662514431 412201953 /nfs/dbraw/zinc/20/19/53/412201953.db2.gz KAAGCYLQNIODIV-PWSUYJOCSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000662520281 412202427 /nfs/dbraw/zinc/20/24/27/412202427.db2.gz HEJSPPCXPWQBJO-DCAQKATOSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH+](C)CCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662518102 412202527 /nfs/dbraw/zinc/20/25/27/412202527.db2.gz ZPMWAAKFYWBIGZ-UHFFFAOYSA-N 2 0 233.315 0.581 20 0 BCADRP C[NH+](C)CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662517136 412202817 /nfs/dbraw/zinc/20/28/17/412202817.db2.gz ROFYSHINSHDAKM-CYBMUJFWSA-N 2 0 247.342 0.899 20 0 BCADRP CCC[N@@H+]1CC[C@@H](N[C@H](C)C2C[NH2+]C2)C1 ZINC000665274094 412215298 /nfs/dbraw/zinc/21/52/98/412215298.db2.gz JLPWNPAWDHDUST-ZYHUDNBSSA-N 2 0 211.353 0.668 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000662520125 412203157 /nfs/dbraw/zinc/20/31/57/412203157.db2.gz DKOIPLQSMHPEPW-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000662525274 412204057 /nfs/dbraw/zinc/20/40/57/412204057.db2.gz GEHWKMWYUWVOIC-ZYHUDNBSSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H](O)C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665262138 412205683 /nfs/dbraw/zinc/20/56/83/412205683.db2.gz VDAWNOAPKRAMCT-FDYHWXHSSA-N 2 0 242.363 0.504 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000662526202 412206171 /nfs/dbraw/zinc/20/61/71/412206171.db2.gz VBJXAFRSTIAQKK-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[NH+]2CCC1CC2 ZINC000662529936 412206224 /nfs/dbraw/zinc/20/62/24/412206224.db2.gz GPDBIDVSLHUBSH-UHFFFAOYSA-N 2 0 225.336 0.291 20 0 BCADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000665273831 412215506 /nfs/dbraw/zinc/21/55/06/412215506.db2.gz FAEQFKDZLLQCQM-GARJFASQSA-N 2 0 225.336 0.515 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000662544113 412209638 /nfs/dbraw/zinc/20/96/38/412209638.db2.gz YGOWABGDBDEDQN-NSHDSACASA-N 2 0 227.352 0.395 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662541769 412209832 /nfs/dbraw/zinc/20/98/32/412209832.db2.gz ISYUDVYBFKVGRG-UTUOFQBUSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662548397 412211008 /nfs/dbraw/zinc/21/10/08/412211008.db2.gz DXXYMIWMFKUOND-MFKMUULPSA-N 2 0 247.342 0.932 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662549120 412212342 /nfs/dbraw/zinc/21/23/42/412212342.db2.gz KWACLBOGTBGCEE-ZDCRXTMVSA-N 2 0 225.336 0.310 20 0 BCADRP CCC[NH2+]CCNC(=O)C[NH2+]C(C)C ZINC000662550703 412212631 /nfs/dbraw/zinc/21/26/31/412212631.db2.gz JZORPPKYHNLJFC-UHFFFAOYSA-N 2 0 201.314 0.100 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000662395112 412144157 /nfs/dbraw/zinc/14/41/57/412144157.db2.gz JFEBRBAXNNSWEY-VHSXEESVSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662394986 412144686 /nfs/dbraw/zinc/14/46/86/412144686.db2.gz ALRBDPHJLBVQAB-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000662401579 412145640 /nfs/dbraw/zinc/14/56/40/412145640.db2.gz WZQCIMNSCJMVLO-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CC1([NH3+])CC1 ZINC000662397773 412147276 /nfs/dbraw/zinc/14/72/76/412147276.db2.gz KHJFOIKRUNUEJK-UWVGGRQHSA-N 2 0 225.336 0.596 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CC1([NH3+])CC1 ZINC000662397777 412147835 /nfs/dbraw/zinc/14/78/35/412147835.db2.gz KHJFOIKRUNUEJK-VHSXEESVSA-N 2 0 225.336 0.596 20 0 BCADRP C[NH2+]CCCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662398062 412147913 /nfs/dbraw/zinc/14/79/13/412147913.db2.gz NJATXGBRLYWAKY-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP [NH3+]C1(CC(=O)N(C2CC2)C2CC[NH2+]CC2)CC1 ZINC000662398551 412147950 /nfs/dbraw/zinc/14/79/50/412147950.db2.gz WOEWEEWPTQZRBU-UHFFFAOYSA-N 2 0 237.347 0.611 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H](CC)[NH2+]C ZINC000662399457 412149266 /nfs/dbraw/zinc/14/92/66/412149266.db2.gz NJANDSQZRPAZCR-VIFPVBQESA-N 2 0 201.314 0.100 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000662404204 412150935 /nfs/dbraw/zinc/15/09/35/412150935.db2.gz QVHVITVVPKBLQF-UTUOFQBUSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000662403458 412151065 /nfs/dbraw/zinc/15/10/65/412151065.db2.gz DCERGZXRUNUSKI-AAEUAGOBSA-N 2 0 245.326 0.781 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C[NH2+]C(C)C)C1 ZINC000662406196 412151494 /nfs/dbraw/zinc/15/14/94/412151494.db2.gz DCEVQOCWQSPTLI-JTQLQIEISA-N 2 0 213.325 0.195 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662406893 412152000 /nfs/dbraw/zinc/15/20/00/412152000.db2.gz MGRZISHDTHISGV-JTQLQIEISA-N 2 0 237.347 0.455 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662408486 412153385 /nfs/dbraw/zinc/15/33/85/412153385.db2.gz VXHUZNXXUIBKEK-VIFPVBQESA-N 2 0 211.309 0.078 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC1CC[NH+](CC)CC1 ZINC000662408071 412153565 /nfs/dbraw/zinc/15/35/65/412153565.db2.gz PKJRSMNVCMQHPN-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000662414306 412156631 /nfs/dbraw/zinc/15/66/31/412156631.db2.gz QBVXVMICLANTPQ-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662414292 412157356 /nfs/dbraw/zinc/15/73/56/412157356.db2.gz PTNLGTGUQGTOMG-QWRGUYRKSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1CN(C(=O)CC2([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC000662415597 412157579 /nfs/dbraw/zinc/15/75/79/412157579.db2.gz IAIPPIQVRKGSNP-DTORHVGOSA-N 2 0 211.309 0.077 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662414293 412157633 /nfs/dbraw/zinc/15/76/33/412157633.db2.gz PTNLGTGUQGTOMG-WDEREUQCSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000662419157 412159729 /nfs/dbraw/zinc/15/97/29/412159729.db2.gz DYVZKBCWSXQTNZ-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000662419193 412159930 /nfs/dbraw/zinc/15/99/30/412159930.db2.gz FQOIOXGPKINTSG-VXGBXAGGSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)CC1([NH3+])CC1 ZINC000662417940 412160255 /nfs/dbraw/zinc/16/02/55/412160255.db2.gz OTIWCHAWLPDIDG-SECBINFHSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H]1CCCN(C(=O)C[C@H]2CC[NH2+]C2)[C@H]1C[NH3+] ZINC000662420588 412161778 /nfs/dbraw/zinc/16/17/78/412161778.db2.gz BDNUKXPZNSKMIR-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CC1([NH3+])CC1 ZINC000662421876 412162972 /nfs/dbraw/zinc/16/29/72/412162972.db2.gz QUJPSGQZLBYFLV-UWVGGRQHSA-N 2 0 225.336 0.502 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000662424066 412164401 /nfs/dbraw/zinc/16/44/01/412164401.db2.gz SLNFGXDSHLVGFM-ZYHUDNBSSA-N 2 0 229.368 0.864 20 0 BCADRP CN1CCN(C(=O)C2CC3(CC3)C2)[C@H](C[NH3+])C1 ZINC000662427734 412166678 /nfs/dbraw/zinc/16/66/78/412166678.db2.gz BTRZHRVEAOKTOU-LLVKDONJSA-N 2 0 237.347 0.278 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C[NH2+]C(C)C ZINC000662430464 412167973 /nfs/dbraw/zinc/16/79/73/412167973.db2.gz XWIDUHSYRVYTNZ-SNVBAGLBSA-N 2 0 215.341 0.618 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662430311 412168082 /nfs/dbraw/zinc/16/80/82/412168082.db2.gz PUCNPUZFIGMUMJ-HAQNSBGRSA-N 2 0 239.363 0.572 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](CC)[NH2+]C ZINC000662430386 412169130 /nfs/dbraw/zinc/16/91/30/412169130.db2.gz VVUHLPXEMMDDLO-VHSXEESVSA-N 2 0 215.341 0.618 20 0 BCADRP COC[C@H](CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+])OC ZINC000665235487 412173985 /nfs/dbraw/zinc/17/39/85/412173985.db2.gz WRGBCGHJGZMBEI-GRYCIOLGSA-N 2 0 230.352 0.755 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC[N@H+](C)C(C)C ZINC000662437801 412174697 /nfs/dbraw/zinc/17/46/97/412174697.db2.gz VCCMDQSRXLIPSL-JTQLQIEISA-N 2 0 215.341 0.441 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](CO)C1CCC1 ZINC000665235115 412174716 /nfs/dbraw/zinc/17/47/16/412174716.db2.gz PXYRWPHOZKALBQ-VXGBXAGGSA-N 2 0 230.352 0.491 20 0 BCADRP [NH3+]C1(CNC(=O)CC[C@H]2CC[NH2+]C2)CCCC1 ZINC000662650110 412256682 /nfs/dbraw/zinc/25/66/82/412256682.db2.gz UZXWHIVFHZPUSA-NSHDSACASA-N 2 0 239.363 0.764 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662658978 412259554 /nfs/dbraw/zinc/25/95/54/412259554.db2.gz HEKPZQISLVQHKR-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662663420 412262532 /nfs/dbraw/zinc/26/25/32/412262532.db2.gz FRABWKBMHQJZJF-HAQNSBGRSA-N 2 0 239.363 0.524 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662663293 412262698 /nfs/dbraw/zinc/26/26/98/412262698.db2.gz MTERVODFBGFMNW-KYZUINATSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662664509 412263349 /nfs/dbraw/zinc/26/33/49/412263349.db2.gz YMSFIKZRJGZLKC-JTQLQIEISA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662676290 412267152 /nfs/dbraw/zinc/26/71/52/412267152.db2.gz UMFQTPGHOSXKQF-HUXNSBQSSA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000662680582 412268651 /nfs/dbraw/zinc/26/86/51/412268651.db2.gz JXJILBVKHZPEOG-UHFFFAOYSA-N 2 0 245.326 0.709 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662680683 412268657 /nfs/dbraw/zinc/26/86/57/412268657.db2.gz YOWTVXZMIUZBII-UHFFFAOYSA-N 2 0 225.336 0.278 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662681165 412269483 /nfs/dbraw/zinc/26/94/83/412269483.db2.gz VPCYDFLXVVGOSJ-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662681229 412269635 /nfs/dbraw/zinc/26/96/35/412269635.db2.gz XCRCLLIHCISDDZ-BMQDGWLCSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000662684678 412270673 /nfs/dbraw/zinc/27/06/73/412270673.db2.gz ZKWFCFPKSLLNIB-ZBOXLXRLSA-N 2 0 237.347 0.326 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662684035 412270989 /nfs/dbraw/zinc/27/09/89/412270989.db2.gz WOWUMHJBLHSICA-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000662687722 412271012 /nfs/dbraw/zinc/27/10/12/412271012.db2.gz JFZLOWMIPFGCCU-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000662688306 412271650 /nfs/dbraw/zinc/27/16/50/412271650.db2.gz OAGYRNSJVNFPFO-TUAOUCFPSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)CC1([NH3+])CC1)C1CC1 ZINC000662688935 412272121 /nfs/dbraw/zinc/27/21/21/412272121.db2.gz ROXZLPXJWDLYKT-JTQLQIEISA-N 2 0 225.336 0.324 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662693819 412273632 /nfs/dbraw/zinc/27/36/32/412273632.db2.gz YTCQOFUKHHDUAU-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000662699234 412275353 /nfs/dbraw/zinc/27/53/53/412275353.db2.gz YLFDMJHWXVQCAW-WOPDTQHZSA-N 2 0 241.379 0.960 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)CC1([NH3+])CC1 ZINC000662700689 412275933 /nfs/dbraw/zinc/27/59/33/412275933.db2.gz JRFNXDMDWFJZNQ-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662701745 412276032 /nfs/dbraw/zinc/27/60/32/412276032.db2.gz UWDMWCXBSKPXEB-DCAQKATOSA-N 2 0 225.336 0.182 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC1([NH3+])CC1 ZINC000662711296 412279448 /nfs/dbraw/zinc/27/94/48/412279448.db2.gz BBGYGLQYXNUGMQ-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662714223 412281751 /nfs/dbraw/zinc/28/17/51/412281751.db2.gz BSPJGUMARKQUTC-VDTJRNOFSA-N 2 0 249.358 0.385 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662718485 412282596 /nfs/dbraw/zinc/28/25/96/412282596.db2.gz KCKNKCJDJCNOSV-UHFFFAOYSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+][C@@H](C(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000662722759 412282955 /nfs/dbraw/zinc/28/29/55/412282955.db2.gz CTYGOPLYSFBHOM-KSGYAGIASA-N 2 0 245.326 0.555 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C[C@@H](C)[NH3+] ZINC000662729697 412285482 /nfs/dbraw/zinc/28/54/82/412285482.db2.gz UASMDKMKEJJEKO-RKDXNWHRSA-N 2 0 201.314 0.213 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000662730458 412286448 /nfs/dbraw/zinc/28/64/48/412286448.db2.gz FWLCNFULHKODOP-WDEREUQCSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000662555202 412216271 /nfs/dbraw/zinc/21/62/71/412216271.db2.gz ZOOCQYWLLGDIFQ-XWLWVQCSSA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000662556972 412216468 /nfs/dbraw/zinc/21/64/68/412216468.db2.gz XZTPZRQTIMJPKP-MXWKQRLJSA-N 2 0 243.351 0.125 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000662556211 412216698 /nfs/dbraw/zinc/21/66/98/412216698.db2.gz NBLUCYSDQMBTGB-UTLUCORTSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662558937 412217329 /nfs/dbraw/zinc/21/73/29/412217329.db2.gz MXEXSYBYQZGCJU-SSDOTTSWSA-N 2 0 239.344 0.471 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000662572096 412220046 /nfs/dbraw/zinc/22/00/46/412220046.db2.gz MDRBZKPULDAOCE-RQJHMYQMSA-N 2 0 241.257 0.380 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)CCO1 ZINC000665278339 412220458 /nfs/dbraw/zinc/22/04/58/412220458.db2.gz BLUCJANWLOGCIZ-QTAHKJALSA-N 2 0 210.321 0.896 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277653 412220833 /nfs/dbraw/zinc/22/08/33/412220833.db2.gz HNDOBKNJDGTHRN-UZEXVOJHSA-N 2 0 209.337 0.278 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277949 412221407 /nfs/dbraw/zinc/22/14/07/412221407.db2.gz QGXBRQKYLRCHPI-AKXGODRKSA-N 2 0 235.375 0.811 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662565931 412221481 /nfs/dbraw/zinc/22/14/81/412221481.db2.gz ASXGSMHGCKCVSS-IUCAKERBSA-N 2 0 233.315 0.755 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000662565717 412221636 /nfs/dbraw/zinc/22/16/36/412221636.db2.gz GVYBLUOLVBDNRT-BQBZGAKWSA-N 2 0 223.267 0.083 20 0 BCADRP C[C@@H]1C[C@H](NCC23CC(C2)C[NH2+]3)CC[N@@H+]1C ZINC000665277759 412221840 /nfs/dbraw/zinc/22/18/40/412221840.db2.gz KVEANKJZDYRMEA-CQLXCSJHSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662568728 412223443 /nfs/dbraw/zinc/22/34/43/412223443.db2.gz QSSAUXQCKAYXOZ-BBBLOLIVSA-N 2 0 213.325 0.357 20 0 BCADRP COC[C@H](CCC[NH3+])NCC12CC(C1)C[NH2+]2 ZINC000665279784 412223650 /nfs/dbraw/zinc/22/36/50/412223650.db2.gz MFWSXRIZOQYJKO-CXQJBGSLSA-N 2 0 227.352 0.082 20 0 BCADRP C[C@@H]1COCC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665280340 412224488 /nfs/dbraw/zinc/22/44/88/412224488.db2.gz ZGLGVODRSYBOAJ-ZYGVAYEYSA-N 2 0 210.321 0.753 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665280142 412225064 /nfs/dbraw/zinc/22/50/64/412225064.db2.gz UNEHURXIOFSFFA-BFUDSRACSA-N 2 0 209.337 0.455 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000662575961 412225774 /nfs/dbraw/zinc/22/57/74/412225774.db2.gz XMFXIBIIQSVHQU-GUBZILKMSA-N 2 0 213.325 0.038 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCCC1(C[NH3+])CC1 ZINC000662582167 412228547 /nfs/dbraw/zinc/22/85/47/412228547.db2.gz NOBVOJAKKKYEKL-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662592164 412233573 /nfs/dbraw/zinc/23/35/73/412233573.db2.gz XOBYIEJNVOTVPA-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCC[NH3+])C1 ZINC000662594489 412234213 /nfs/dbraw/zinc/23/42/13/412234213.db2.gz UHOYJFGDYRIPCS-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]1CC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000665291072 412237676 /nfs/dbraw/zinc/23/76/76/412237676.db2.gz TVDDDNWDSQDBID-IUCAKERBSA-N 2 0 236.319 0.919 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000662605626 412237837 /nfs/dbraw/zinc/23/78/37/412237837.db2.gz PJOIMGVAYXDAFJ-SKDRFNHKSA-N 2 0 225.336 0.182 20 0 BCADRP CCC[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291223 412238083 /nfs/dbraw/zinc/23/80/83/412238083.db2.gz XIYLTZVNEXAFBK-QMMMGPOBSA-N 2 0 224.308 0.919 20 0 BCADRP C[NH2+]C[C@H](C)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000665296665 412243016 /nfs/dbraw/zinc/24/30/16/412243016.db2.gz WCJGXVKCNCGIJQ-AXFHLTTASA-N 2 0 211.353 0.809 20 0 BCADRP C[NH2+]C[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000665295226 412243231 /nfs/dbraw/zinc/24/32/31/412243231.db2.gz ALBVPIUYSWQXBA-QWRGUYRKSA-N 3 0 213.369 0.914 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662622311 412244397 /nfs/dbraw/zinc/24/43/97/412244397.db2.gz QKPUPFQIKBHSKI-UWVGGRQHSA-N 2 0 227.352 0.713 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCC[NH3+])C1 ZINC000662622191 412244987 /nfs/dbraw/zinc/24/49/87/412244987.db2.gz QGLCCXNVOGOLTA-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP FCCOCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000665298922 412245655 /nfs/dbraw/zinc/24/56/55/412245655.db2.gz CHNBSGYRTYOIEC-IJLUTSLNSA-N 2 0 230.327 0.950 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000662632380 412246884 /nfs/dbraw/zinc/24/68/84/412246884.db2.gz CRXKEBWXJKKSHJ-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H](CCNC(=O)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000662632378 412247363 /nfs/dbraw/zinc/24/73/63/412247363.db2.gz CRXKEBWXJKKSHJ-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662632327 412247366 /nfs/dbraw/zinc/24/73/66/412247366.db2.gz BZSZXKKHUYOPFZ-ZYHUDNBSSA-N 2 0 229.368 0.960 20 0 BCADRP C[C@@H](CCNC(=O)CCC[NH3+])[NH+](C)C ZINC000662632582 412247421 /nfs/dbraw/zinc/24/74/21/412247421.db2.gz FHUURZCCBJWQNW-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP C[C@H](CCNC(=O)CC1([NH3+])CCC1)[NH+](C)C ZINC000662632725 412247586 /nfs/dbraw/zinc/24/75/86/412247586.db2.gz GKHWLEWRFJAYPV-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])S(C)(=O)=O ZINC000665299740 412247710 /nfs/dbraw/zinc/24/77/10/412247710.db2.gz RXEVCQHPHKHSIB-GMTAPVOTSA-N 2 0 248.392 0.527 20 0 BCADRP C[C@H](CCNC(=O)C[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000662629676 412248654 /nfs/dbraw/zinc/24/86/54/412248654.db2.gz AXVOBILSPYSQQS-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[NH+](C)C ZINC000662629732 412249016 /nfs/dbraw/zinc/24/90/16/412249016.db2.gz BFPATDDEBQMBDP-NTZNESFSSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000662634491 412250988 /nfs/dbraw/zinc/25/09/88/412250988.db2.gz RZUOQMYRZIDDSL-UWVGGRQHSA-N 2 0 215.341 0.298 20 0 BCADRP C[C@@H](CCNC(=O)CC1(C[NH3+])CC1)[NH+](C)C ZINC000662633713 412251123 /nfs/dbraw/zinc/25/11/23/412251123.db2.gz OGBBPIDMWZCSFG-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](CCNC(=O)C[NH2+]CC1CC1)[NH+](C)C ZINC000662633489 412251158 /nfs/dbraw/zinc/25/11/58/412251158.db2.gz LEZIYRRUDZSPAE-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[C@H](C)[NH+](C)C ZINC000662635039 412251232 /nfs/dbraw/zinc/25/12/32/412251232.db2.gz UHUMRORSNKACKX-SRVKXCTJSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662635042 412251319 /nfs/dbraw/zinc/25/13/19/412251319.db2.gz UHUMRORSNKACKX-WOPDTQHZSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000662633258 412251459 /nfs/dbraw/zinc/25/14/59/412251459.db2.gz JRWQTLRJPKULOE-VHSXEESVSA-N 2 0 215.341 0.441 20 0 BCADRP C[C@H](CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000662633089 412251536 /nfs/dbraw/zinc/25/15/36/412251536.db2.gz JKYYIHXBWNJLGC-TUAOUCFPSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662795125 412305170 /nfs/dbraw/zinc/30/51/70/412305170.db2.gz XAQWVDNWXXWZMI-FIQHERPVSA-N 2 0 239.363 0.522 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662815663 412308731 /nfs/dbraw/zinc/30/87/31/412308731.db2.gz LNKRGKHSRWTOCC-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC(C)(C)CC[NH3+] ZINC000662817516 412310107 /nfs/dbraw/zinc/31/01/07/412310107.db2.gz IPSVPXCHCIBBPO-QMMMGPOBSA-N 2 0 201.314 0.228 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662822749 412311728 /nfs/dbraw/zinc/31/17/28/412311728.db2.gz QLMPZGDICSPUCQ-RGOKHQFPSA-N 2 0 213.325 0.356 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000662824502 412311999 /nfs/dbraw/zinc/31/19/99/412311999.db2.gz WEBCJGWJOXZHAZ-MNOVXSKESA-N 2 0 239.363 0.775 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662822142 412312106 /nfs/dbraw/zinc/31/21/06/412312106.db2.gz OHTPGYVRWKEYPZ-GUBZILKMSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662835153 412315123 /nfs/dbraw/zinc/31/51/23/412315123.db2.gz ZHGUPCOHGZLPCE-ZYUZMQFOSA-N 2 0 211.309 0.062 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000662832057 412315257 /nfs/dbraw/zinc/31/52/57/412315257.db2.gz IIUGNOLHKUWYFZ-VHSXEESVSA-N 2 0 213.325 0.323 20 0 BCADRP [NH3+]CCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662839332 412316863 /nfs/dbraw/zinc/31/68/63/412316863.db2.gz PVTORPIFEXRCSL-MNOVXSKESA-N 2 0 225.336 0.468 20 0 BCADRP [NH3+]CCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662839333 412316976 /nfs/dbraw/zinc/31/69/76/412316976.db2.gz PVTORPIFEXRCSL-QWRGUYRKSA-N 2 0 225.336 0.468 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000662844844 412319433 /nfs/dbraw/zinc/31/94/33/412319433.db2.gz FWZLTLBKFWUXNV-MRVPVSSYSA-N 2 0 249.305 0.427 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000662844481 412320263 /nfs/dbraw/zinc/32/02/63/412320263.db2.gz APWZNYRIBAWWDJ-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)c1cc(N[C@@H]2CC[NH2+]C2)nc(N(C)C)[nH+]1 ZINC000420153899 412320815 /nfs/dbraw/zinc/32/08/15/412320815.db2.gz QXPQXCXCZDNFAP-SNVBAGLBSA-N 2 0 249.362 1.440 20 0 BCADRP CC(C)c1cc(NCCC[NH3+])nc(N(C)C)[nH+]1 ZINC000420135278 412321067 /nfs/dbraw/zinc/32/10/67/412321067.db2.gz CBVMRBYRNLILBP-UHFFFAOYSA-N 2 0 237.351 1.427 20 0 BCADRP C[C@@H](CCNC(=O)[C@@H]([NH3+])C(C)(C)C)[NH+](C)C ZINC000662858712 412326820 /nfs/dbraw/zinc/32/68/20/412326820.db2.gz HPYHJYLVTVEZHM-VHSXEESVSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000662857664 412327372 /nfs/dbraw/zinc/32/73/72/412327372.db2.gz BZNCZPAMRYZBDK-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1[C@H](C(=O)NCC2([NH3+])CCCC2)CC[N@@H+]1C ZINC000662863312 412329398 /nfs/dbraw/zinc/32/93/98/412329398.db2.gz NSFWBUVHFPIPOA-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NCC1([NH3+])CCCC1 ZINC000662863825 412329608 /nfs/dbraw/zinc/32/96/08/412329608.db2.gz WUWPHZADSWIUOL-UHFFFAOYSA-N 2 0 234.303 0.495 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000662864957 412330037 /nfs/dbraw/zinc/33/00/37/412330037.db2.gz IYXKUWRNNWOJKC-JTQLQIEISA-N 2 0 225.336 0.516 20 0 BCADRP C[C@]1(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000663003038 412367055 /nfs/dbraw/zinc/36/70/55/412367055.db2.gz CQDUJXWBAVAYLJ-FOGDFJRCSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CCCC[NH2+]1 ZINC000662877029 412333261 /nfs/dbraw/zinc/33/32/61/412333261.db2.gz NLKPRBZELCIVHZ-SQLBVSGCSA-N 2 0 223.320 0.078 20 0 BCADRP C[NH+](C)C1(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000665488089 412336656 /nfs/dbraw/zinc/33/66/56/412336656.db2.gz BGEGKTHZGPCHRE-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP C[C@@H]1CCN(C(=O)CC2([NH3+])CC2)[C@H](C[NH3+])C1 ZINC000662894649 412337793 /nfs/dbraw/zinc/33/77/93/412337793.db2.gz BNWKFMNJPQEZAJ-ZJUUUORDSA-N 2 0 225.336 0.454 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662892542 412337813 /nfs/dbraw/zinc/33/78/13/412337813.db2.gz DVQFSUYWTLFMEW-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH+](C)C1(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000665509765 412340460 /nfs/dbraw/zinc/34/04/60/412340460.db2.gz VKGHAHKJQBTVIV-UHFFFAOYSA-N 2 0 225.336 0.291 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662914087 412343880 /nfs/dbraw/zinc/34/38/80/412343880.db2.gz WSKGXKWLRBOQEV-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP CC[NH+]1CCC(NC(=O)C2([NH+](C)C)CC2)CC1 ZINC000665530708 412350008 /nfs/dbraw/zinc/35/00/08/412350008.db2.gz ZQSUTYRXTKTMOC-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@]1(C(=O)N2CC[NH2+][C@@H](C)C2)CCC[NH2+]1 ZINC000134368430 171710023 /nfs/dbraw/zinc/71/00/23/171710023.db2.gz DPAUJIOXNMFHOU-CMPLNLGQSA-N 2 0 225.336 0.339 20 0 BCADRP CC[C@]1(C(=O)N2CCC[C@@H]([NH2+]C)C2)CC[NH2+]C1 ZINC000119224205 171710593 /nfs/dbraw/zinc/71/05/93/171710593.db2.gz KJQVTIOPVFKBHY-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@]1(C(=O)N[C@H](C[NH3+])C2CC2)CC[NH2+]C1 ZINC000368567511 171711322 /nfs/dbraw/zinc/71/13/22/171711322.db2.gz VOIXQWZEWCXZQJ-PWSUYJOCSA-N 2 0 225.336 0.230 20 0 BCADRP CC[C@]1(C(=O)N[C@H](C)CC[NH3+])CCC[NH2+]1 ZINC000336734139 171711433 /nfs/dbraw/zinc/71/14/33/171711433.db2.gz HENSIQPILJTQRV-MWLCHTKSSA-N 2 0 213.325 0.372 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000662953749 412353763 /nfs/dbraw/zinc/35/37/63/412353763.db2.gz PEWRMCSRZBIPMD-SDDRHHMPSA-N 2 0 241.379 0.736 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@H](C)C[NH2+]C ZINC000662953949 412353896 /nfs/dbraw/zinc/35/38/96/412353896.db2.gz RRGVELSHVZRWFY-PSASIEDQSA-N 2 0 201.314 0.228 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000662965162 412357444 /nfs/dbraw/zinc/35/74/44/412357444.db2.gz IDOUFDQTKICAMA-VHSXEESVSA-N 2 0 215.341 0.297 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000662966141 412358164 /nfs/dbraw/zinc/35/81/64/412358164.db2.gz QBLPOIQTSHUYDJ-HOSYDEDBSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000662966306 412358733 /nfs/dbraw/zinc/35/87/33/412358733.db2.gz XGHGYRCQTOELAX-NXEZZACHSA-N 2 0 229.368 0.735 20 0 BCADRP COCCC[N@H+](C)CCNc1cc(C)ncn1 ZINC000361097035 412359106 /nfs/dbraw/zinc/35/91/06/412359106.db2.gz NXEFIILNGWSWBC-UHFFFAOYSA-N 2 0 238.335 1.165 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000662968226 412359720 /nfs/dbraw/zinc/35/97/20/412359720.db2.gz SIZFGDVEORXWIV-IVZWLZJFSA-N 2 0 215.341 0.330 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662970140 412360496 /nfs/dbraw/zinc/36/04/96/412360496.db2.gz VDQKDJBSBHFVGD-SECBINFHSA-N 2 0 233.315 0.628 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)c1ccccc1CC[NH3+] ZINC000662970048 412360676 /nfs/dbraw/zinc/36/06/76/412360676.db2.gz SYTXEYIVAHWLFH-SNVBAGLBSA-N 2 0 235.331 0.526 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662747934 412289679 /nfs/dbraw/zinc/28/96/79/412289679.db2.gz HFSPMMGGTCOEAB-NXEZZACHSA-N 2 0 231.315 0.224 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)CC2([NH3+])CC2)C1 ZINC000662746576 412290032 /nfs/dbraw/zinc/29/00/32/412290032.db2.gz QAJDMTBYIOXLEH-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000662747478 412290405 /nfs/dbraw/zinc/29/04/05/412290405.db2.gz ZAECHNOSKVOILM-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000662747290 412290414 /nfs/dbraw/zinc/29/04/14/412290414.db2.gz YZYWPXZIPVMLGK-KKOKHZNYSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000662754486 412290800 /nfs/dbraw/zinc/29/08/00/412290800.db2.gz PCYMLEPBLIOMRM-XWLWVQCSSA-N 2 0 237.347 0.465 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000662754484 412290970 /nfs/dbraw/zinc/29/09/70/412290970.db2.gz PCYMLEPBLIOMRM-GWOFURMSSA-N 2 0 237.347 0.465 20 0 BCADRP Cc1nc[nH]c1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662752976 412291479 /nfs/dbraw/zinc/29/14/79/412291479.db2.gz MLAWYQKSPIGORD-SNVBAGLBSA-N 2 0 236.319 0.722 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CC1([NH3+])CC1 ZINC000662754357 412291622 /nfs/dbraw/zinc/29/16/22/412291622.db2.gz LMQOSCTXAVMFGX-GXSJLCMTSA-N 2 0 237.347 0.467 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662748464 412291694 /nfs/dbraw/zinc/29/16/94/412291694.db2.gz VHESOZWYASXIIY-GMTAPVOTSA-N 2 0 243.326 0.368 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662759284 412292885 /nfs/dbraw/zinc/29/28/85/412292885.db2.gz YYMSABSEWJMARJ-SSDOTTSWSA-N 2 0 240.307 0.193 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662764850 412294444 /nfs/dbraw/zinc/29/44/44/412294444.db2.gz AWEBESMOCFQVQV-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@]1(CNC(=O)[C@H]2C[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000662764018 412294502 /nfs/dbraw/zinc/29/45/02/412294502.db2.gz HDGRFAWDTYJKDP-CKYFFXLPSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662763945 412294584 /nfs/dbraw/zinc/29/45/84/412294584.db2.gz KRXZEVGQDZPXBA-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000662767864 412296040 /nfs/dbraw/zinc/29/60/40/412296040.db2.gz YACUEPFWGKEOGI-LLVKDONJSA-N 2 0 227.352 0.537 20 0 BCADRP CN(C(=O)[C@H]1C[C@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000662767809 412296281 /nfs/dbraw/zinc/29/62/81/412296281.db2.gz XMVPFQFMSVXNBV-MGCOHNPYSA-N 2 0 225.336 0.276 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000662773594 412297977 /nfs/dbraw/zinc/29/79/77/412297977.db2.gz VOXJGNYTKIFBKT-NXEZZACHSA-N 2 0 223.320 0.078 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000662774184 412298387 /nfs/dbraw/zinc/29/83/87/412298387.db2.gz LZYWVLCVUXJIDX-VHSXEESVSA-N 2 0 213.325 0.193 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000662773601 412298448 /nfs/dbraw/zinc/29/84/48/412298448.db2.gz VOXJGNYTKIFBKT-ZJUUUORDSA-N 2 0 223.320 0.078 20 0 BCADRP [NH3+]C1(CC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000662777179 412299034 /nfs/dbraw/zinc/29/90/34/412299034.db2.gz FPVCLODGOKEKPR-LBPRGKRZSA-N 2 0 237.347 0.470 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000662776694 412299195 /nfs/dbraw/zinc/29/91/95/412299195.db2.gz YPTOPQBHNCXHGS-AEJSXWLSSA-N 2 0 213.325 0.193 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCNc1cnccn1 ZINC000422883179 412299313 /nfs/dbraw/zinc/29/93/13/412299313.db2.gz BUAFYRIKIQZVES-RYUDHWBXSA-N 2 0 249.362 0.996 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000662778210 412300044 /nfs/dbraw/zinc/30/00/44/412300044.db2.gz FTHDGINRLJRZSA-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)CC1([NH3+])CC1 ZINC000662780293 412300045 /nfs/dbraw/zinc/30/00/45/412300045.db2.gz OXZKCROYYBUZGS-SECBINFHSA-N 2 0 213.325 0.502 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662782487 412300793 /nfs/dbraw/zinc/30/07/93/412300793.db2.gz ZVYFROJEZJUWKP-RCZSTQMZSA-N 2 0 225.336 0.226 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000662782353 412300937 /nfs/dbraw/zinc/30/09/37/412300937.db2.gz ZAFKEQUJNHZOAV-AATLWQCWSA-N 2 0 213.325 0.097 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000662781914 412301081 /nfs/dbraw/zinc/30/10/81/412301081.db2.gz WSLJHAGWMWRGKN-XWLWVQCSSA-N 2 0 227.352 0.487 20 0 BCADRP [NH3+]C1(CC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000662786197 412301433 /nfs/dbraw/zinc/30/14/33/412301433.db2.gz TYSJYTPPUDIGQS-JTQLQIEISA-N 2 0 225.336 0.516 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662784500 412301465 /nfs/dbraw/zinc/30/14/65/412301465.db2.gz QJUOLAYFXRJDNI-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662785689 412301641 /nfs/dbraw/zinc/30/16/41/412301641.db2.gz WSUFREJMVFETAX-CIUDSAMLSA-N 2 0 213.325 0.226 20 0 BCADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662788008 412302857 /nfs/dbraw/zinc/30/28/57/412302857.db2.gz FPJCHHVFKRPWER-SRVKXCTJSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCNc2cnccn2)C1 ZINC000572542007 412303079 /nfs/dbraw/zinc/30/30/79/412303079.db2.gz PZMZOFHJBNSQBK-QWRGUYRKSA-N 2 0 235.335 0.748 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(CCOC)CC[NH+](C)C ZINC000662791260 412304199 /nfs/dbraw/zinc/30/41/99/412304199.db2.gz PQSYCFNTUONPMD-LLVKDONJSA-N 2 0 245.367 0.021 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662791562 412304348 /nfs/dbraw/zinc/30/43/48/412304348.db2.gz BGDFTMKNXAGDPK-NSHDSACASA-N 2 0 239.363 0.811 20 0 BCADRP C[C@]1(NC(=O)CCC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000663009179 412368648 /nfs/dbraw/zinc/36/86/48/412368648.db2.gz AUEZCWSGZYWBQB-ZDUSSCGKSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@]1(NC(=O)C[C@@H]([NH3+])c2ccccc2)CC[NH2+]C1 ZINC000663012763 412370882 /nfs/dbraw/zinc/37/08/82/412370882.db2.gz YUPQWAKAXXWGFG-TZMCWYRMSA-N 2 0 247.342 0.945 20 0 BCADRP CN(C(=O)C[C@@H]1CCC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000364468742 172313901 /nfs/dbraw/zinc/31/39/01/172313901.db2.gz RPPVMQYVEMUYLG-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CN(C(=O)[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000178409290 172325013 /nfs/dbraw/zinc/32/50/13/172325013.db2.gz OGHSTWXVCAEDLF-OLZOCXBDSA-N 2 0 247.342 0.377 20 0 BCADRP CN(C(=O)[C@@H]1CCCCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000364465193 172326966 /nfs/dbraw/zinc/32/69/66/172326966.db2.gz JBWIDWGJLYDHCR-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H](C[NH3+])C1CC1 ZINC000332186709 172327211 /nfs/dbraw/zinc/32/72/11/172327211.db2.gz YCCDRXIKIRYBMQ-UTUOFQBUSA-N 2 0 239.363 0.700 20 0 BCADRP CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]CC1 ZINC000364639377 172328479 /nfs/dbraw/zinc/32/84/79/172328479.db2.gz BNUGOZBTLLSSDA-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP CN(C(=O)[C@@](C)([NH3+])c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000195232360 172331091 /nfs/dbraw/zinc/33/10/91/172331091.db2.gz YATREOPSHRBHCB-JSGCOSHPSA-N 2 0 247.342 0.681 20 0 BCADRP CN(C(=O)[C@H]([NH3+])Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000178409363 172331388 /nfs/dbraw/zinc/33/13/88/172331388.db2.gz OGHSTWXVCAEDLF-CHWSQXEVSA-N 2 0 247.342 0.377 20 0 BCADRP CN(C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000368537601 172331956 /nfs/dbraw/zinc/33/19/56/172331956.db2.gz IYDZNROROOPFEM-NQBHXWOUSA-N 2 0 237.347 0.196 20 0 BCADRP CN(C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000368537602 172331974 /nfs/dbraw/zinc/33/19/74/172331974.db2.gz IYDZNROROOPFEM-NTZNESFSSA-N 2 0 237.347 0.196 20 0 BCADRP CN(C(=O)[C@H](C[NH3+])c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000179061938 172332093 /nfs/dbraw/zinc/33/20/93/172332093.db2.gz YYMRFGJTXNJMKO-CHWSQXEVSA-N 2 0 247.342 0.549 20 0 BCADRP CN(C)C(=[NH2+])NC[C@H]1CN2CCCC[C@H]2CO1 ZINC000362057011 172353028 /nfs/dbraw/zinc/35/30/28/172353028.db2.gz AOZJBOFKZXGGLJ-QWRGUYRKSA-N 2 0 240.351 0.326 20 0 BCADRP CN(C)C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063199734 172364037 /nfs/dbraw/zinc/36/40/37/172364037.db2.gz IFAAFZIRHRTEKH-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000040807121 172394673 /nfs/dbraw/zinc/39/46/73/172394673.db2.gz UICYULIAYSCLPK-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000362808072 172438333 /nfs/dbraw/zinc/43/83/33/172438333.db2.gz VHWPJIBDALKJIB-GFCCVEGCSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000094647225 487624915 /nfs/dbraw/zinc/62/49/15/487624915.db2.gz IEZWQPCJFDCHAF-CMPLNLGQSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+]1CCC2(CCC[N@H+](CC(N)=O)C2)CC1 ZINC000367198965 173002869 /nfs/dbraw/zinc/00/28/69/173002869.db2.gz HPNSBGTXUADRJF-UHFFFAOYSA-N 2 0 225.336 0.280 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000121449272 173012567 /nfs/dbraw/zinc/01/25/67/173012567.db2.gz OXZRXWWUTLWKDK-CYBMUJFWSA-N 2 0 239.363 0.683 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH+](CCO)C1CC1 ZINC000305115249 173027941 /nfs/dbraw/zinc/02/79/41/173027941.db2.gz JWHIGELVCQWXPE-LLVKDONJSA-N 2 0 212.337 0.927 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000226394211 173029842 /nfs/dbraw/zinc/02/98/42/173029842.db2.gz GPANPSBEYOBSPM-PWSUYJOCSA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000227424836 173031546 /nfs/dbraw/zinc/03/15/46/173031546.db2.gz XXQABRKUHWBNPB-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1([NH3+])CC1 ZINC000371262926 173033669 /nfs/dbraw/zinc/03/36/69/173033669.db2.gz RRHFEBNWZHQZOO-MNOVXSKESA-N 2 0 237.347 0.563 20 0 BCADRP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C1C[NH2+]C1 ZINC000378639461 173035103 /nfs/dbraw/zinc/03/51/03/173035103.db2.gz FGSVOIOORKWNDE-VXGBXAGGSA-N 2 0 237.347 0.291 20 0 BCADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3COC[C@H]3O)CC[C@@H]21 ZINC000310212401 173035891 /nfs/dbraw/zinc/03/58/91/173035891.db2.gz HCJCTDSGZZUSMI-YVECIDJPSA-N 2 0 240.347 0.162 20 0 BCADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3COC[C@@H]3O)CC[C@H]21 ZINC000310212399 173037014 /nfs/dbraw/zinc/03/70/14/173037014.db2.gz HCJCTDSGZZUSMI-LPWJVIDDSA-N 2 0 240.347 0.162 20 0 BCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CC[NH2+]1 ZINC000336597647 173040149 /nfs/dbraw/zinc/04/01/49/173040149.db2.gz BHTGLECZQCPJDS-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CC[NH3+] ZINC000237085242 173040162 /nfs/dbraw/zinc/04/01/62/173040162.db2.gz BBXALNIXUNHZPG-JTQLQIEISA-N 2 0 213.325 0.135 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000044751869 173044810 /nfs/dbraw/zinc/04/48/10/173044810.db2.gz QIKZJBQTJPBTNM-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000114072981 173048213 /nfs/dbraw/zinc/04/82/13/173048213.db2.gz MGIWQSZDZNZZOJ-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C1([NH3+])CC1 ZINC000371262928 173059390 /nfs/dbraw/zinc/05/93/90/173059390.db2.gz RRHFEBNWZHQZOO-WDEREUQCSA-N 2 0 237.347 0.563 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000044751813 173115426 /nfs/dbraw/zinc/11/54/26/173115426.db2.gz JLEMJOMBEMISFR-VIFPVBQESA-N 2 0 213.325 0.039 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000226740930 173144901 /nfs/dbraw/zinc/14/49/01/173144901.db2.gz OIVYPAYHUPETOO-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP CN(CC[C@H]1CCC[N@@H+]1C)[C@H]1CCN(C)C1=O ZINC000336681350 173149310 /nfs/dbraw/zinc/14/93/10/173149310.db2.gz COFKZHIFLZTEGZ-NEPJUHHUSA-N 2 0 239.363 0.633 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]CCCO)[C@@H]2CCC[C@@H]21 ZINC000308902259 173152884 /nfs/dbraw/zinc/15/28/84/173152884.db2.gz BOFMZMICLHCMKT-SRVKXCTJSA-N 2 0 212.337 0.831 20 0 BCADRP CNC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374180356 173274330 /nfs/dbraw/zinc/27/43/30/173274330.db2.gz ZXWGLRXBDVSDLP-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000336756587 173280809 /nfs/dbraw/zinc/28/08/09/173280809.db2.gz IRWNXXHSSSABTQ-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000353625259 173282597 /nfs/dbraw/zinc/28/25/97/173282597.db2.gz FSJZGKTUCKLSAG-DTWKUNHWSA-N 2 0 236.319 0.381 20 0 BCADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cnc[nH]1 ZINC000336752637 173299195 /nfs/dbraw/zinc/29/91/95/173299195.db2.gz DNQKKBFBGNZTOS-ZJUUUORDSA-N 2 0 222.292 0.414 20 0 BCADRP CNC(=O)[C@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000042394242 173307411 /nfs/dbraw/zinc/30/74/11/173307411.db2.gz JYPOVVDNVJMRTK-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000037826032 173324962 /nfs/dbraw/zinc/32/49/62/173324962.db2.gz TVZPOKMQSSFGPU-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000249418004 173325556 /nfs/dbraw/zinc/32/55/56/173325556.db2.gz DCWOANOVQADHIX-NXEZZACHSA-N 2 0 213.325 0.004 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000373041222 173325979 /nfs/dbraw/zinc/32/59/79/173325979.db2.gz YPWDEVOXWZPGKF-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000366450138 173326830 /nfs/dbraw/zinc/32/68/30/173326830.db2.gz OUMBQQQFGDTPPY-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000237215799 173328723 /nfs/dbraw/zinc/32/87/23/173328723.db2.gz LSFHWXWZQZXZCD-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040670582 173329817 /nfs/dbraw/zinc/32/98/17/173329817.db2.gz HEHFASOARAUEDW-AAEUAGOBSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000063166196 173338290 /nfs/dbraw/zinc/33/82/90/173338290.db2.gz FKFICAUYJMWMNN-JTQLQIEISA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]CC1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000063166119 173338911 /nfs/dbraw/zinc/33/89/11/173338911.db2.gz SIOKACCAJWIQMB-UHFFFAOYSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]CC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000063166131 173338916 /nfs/dbraw/zinc/33/89/16/173338916.db2.gz YNBKNGOHMIAOIA-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CCC(=O)N1CC[NH+](C(C)C)CC1 ZINC000043600147 173339281 /nfs/dbraw/zinc/33/92/81/173339281.db2.gz AUZRGLDHMKTDRC-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP C[NH2+]CCC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000043605419 173339320 /nfs/dbraw/zinc/33/93/20/173339320.db2.gz RVGAIZXNDBMBIL-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000043605374 173339628 /nfs/dbraw/zinc/33/96/28/173339628.db2.gz ZGPHKGPPRNSOGG-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH2+]CCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000043604196 173339856 /nfs/dbraw/zinc/33/98/56/173339856.db2.gz IUKSMSGWAYEIBH-UHFFFAOYSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000367649239 173340018 /nfs/dbraw/zinc/34/00/18/173340018.db2.gz QSHKUEHSVVYHID-CMPLNLGQSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH2+]CCC(=O)NCC(C)(C)[NH+](C)C ZINC000043605839 173340069 /nfs/dbraw/zinc/34/00/69/173340069.db2.gz XGXOUKGIMOLJBT-UHFFFAOYSA-N 2 0 201.314 0.052 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000094447133 173340194 /nfs/dbraw/zinc/34/01/94/173340194.db2.gz JMJFHXRVRXOZCI-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000367654016 173340217 /nfs/dbraw/zinc/34/02/17/173340217.db2.gz SGHKWDVLPZXDRT-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251618062 173340252 /nfs/dbraw/zinc/34/02/52/173340252.db2.gz DUCLRAKRNXEVCF-MNOVXSKESA-N 2 0 225.336 0.291 20 0 BCADRP C[NH2+]CCC(=O)NCc1ccccc1C[NH+](C)C ZINC000049844438 173341118 /nfs/dbraw/zinc/34/11/18/173341118.db2.gz YBIGWSGCEQHYQW-UHFFFAOYSA-N 2 0 249.358 0.974 20 0 BCADRP C[NH2+]CCCC(=O)N(C)C1CC[NH+](C)CC1 ZINC000037477542 173343408 /nfs/dbraw/zinc/34/34/08/173343408.db2.gz NOPZOAJQIAILIV-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP C[NH2+]CCCC(=O)NCC[NH+]1CCCC1 ZINC000037477713 173343813 /nfs/dbraw/zinc/34/38/13/173343813.db2.gz MLEDVCIXEUFTDK-UHFFFAOYSA-N 2 0 213.325 0.198 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037611140 173344995 /nfs/dbraw/zinc/34/49/95/173344995.db2.gz BWOWLWYCQMICCU-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000124615726 173346237 /nfs/dbraw/zinc/34/62/37/173346237.db2.gz WVNWYORWJXMRAH-AWEZNQCLSA-N 2 0 249.358 0.928 20 0 BCADRP C[NH2+]CCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000336741006 173347234 /nfs/dbraw/zinc/34/72/34/173347234.db2.gz MVIRLMNVGFWWBC-SDDRHHMPSA-N 3 0 211.353 0.655 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246251019 173348286 /nfs/dbraw/zinc/34/82/86/173348286.db2.gz HXIWFQZGAAQIGD-TUAOUCFPSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000070304841 173351754 /nfs/dbraw/zinc/35/17/54/173351754.db2.gz YPGDDNCQKVUJHS-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000372433857 173351806 /nfs/dbraw/zinc/35/18/06/173351806.db2.gz QRFZFKOOUZQTKK-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000069803229 173351930 /nfs/dbraw/zinc/35/19/30/173351930.db2.gz FNHJRMBQTBFJRK-MRVPVSSYSA-N 2 0 201.314 0.038 20 0 BCADRP C[NH2+]CCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000269141665 173354924 /nfs/dbraw/zinc/35/49/24/173354924.db2.gz AOVZYJGRJVBOLP-LBPRGKRZSA-N 2 0 249.358 0.843 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000237058127 173355329 /nfs/dbraw/zinc/35/53/29/173355329.db2.gz VYIVQXITMRXDES-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000237147753 173362685 /nfs/dbraw/zinc/36/26/85/173362685.db2.gz GMAORGXHHLVFIS-NEPJUHHUSA-N 2 0 241.379 0.642 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000237241045 173363092 /nfs/dbraw/zinc/36/30/92/173363092.db2.gz UQURVVVLVSSZHV-ZYHUDNBSSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000092132818 173363258 /nfs/dbraw/zinc/36/32/58/173363258.db2.gz AXNCPKAZJCHMCE-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000237241072 173363311 /nfs/dbraw/zinc/36/33/11/173363311.db2.gz KCVFARAJZOQDNF-ZJUUUORDSA-N 2 0 215.341 0.332 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367370351 173364033 /nfs/dbraw/zinc/36/40/33/173364033.db2.gz CPJWSWXSDNSPDC-SECBINFHSA-N 2 0 248.330 0.521 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000042361205 173368182 /nfs/dbraw/zinc/36/81/82/173368182.db2.gz MQDFOZCJPQZQOS-RYUDHWBXSA-N 2 0 212.337 0.954 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000237281579 173373537 /nfs/dbraw/zinc/37/35/37/173373537.db2.gz GMAORGXHHLVFIS-NWDGAFQWSA-N 2 0 241.379 0.642 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000092134901 173373705 /nfs/dbraw/zinc/37/37/05/173373705.db2.gz FLSGOHVUXFDIIH-NSHDSACASA-N 2 0 241.379 0.642 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000363524450 173373840 /nfs/dbraw/zinc/37/38/40/173373840.db2.gz VKBFNMLLZZOZFX-AXFHLTTASA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000092134584 173373877 /nfs/dbraw/zinc/37/38/77/173373877.db2.gz JGOWFEOVNREQJO-NSHDSACASA-N 2 0 239.363 0.396 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000092134712 173374389 /nfs/dbraw/zinc/37/43/89/173374389.db2.gz HEPSVKYNRPUYCJ-LBPRGKRZSA-N 2 0 241.379 0.642 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132899262 173375002 /nfs/dbraw/zinc/37/50/02/173375002.db2.gz XTULJBRPJQIWNS-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000237343370 173375042 /nfs/dbraw/zinc/37/50/42/173375042.db2.gz KCVFARAJZOQDNF-VHSXEESVSA-N 2 0 215.341 0.332 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CSCN2)C1 ZINC000237306862 173379049 /nfs/dbraw/zinc/37/90/49/173379049.db2.gz ITSUCPBLBRJGCJ-NXEZZACHSA-N 2 0 243.376 0.107 20 0 BCADRP C[NH2+]C[C@H]1CCCN(CC(=O)N(C)C2CC2)C1 ZINC000049306479 173379219 /nfs/dbraw/zinc/37/92/19/173379219.db2.gz HSTOZELPTRGXQX-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000226420523 173381647 /nfs/dbraw/zinc/38/16/47/173381647.db2.gz VHGPLZAYOBOPHO-GFCCVEGCSA-N 2 0 212.337 0.954 20 0 BCADRP COC(C)(C)[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000300970946 173952623 /nfs/dbraw/zinc/95/26/23/173952623.db2.gz JFWNWGHNTXQCQF-NSHDSACASA-N 2 0 232.368 0.968 20 0 BCADRP COCCC[N@H+](C)CC1CC[NH2+]CC1 ZINC000062031661 174216809 /nfs/dbraw/zinc/21/68/09/174216809.db2.gz OSCLOCMBCKWEJL-UHFFFAOYSA-N 2 0 200.326 0.954 20 0 BCADRP COCCC[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000309483026 174217490 /nfs/dbraw/zinc/21/74/90/174217490.db2.gz WHLCKMOJWXWZBC-LBPRGKRZSA-N 2 0 230.352 0.410 20 0 BCADRP COCCC[N@H+](CCO)C[C@]1(C)CC[NH2+]C1 ZINC000340703804 174224464 /nfs/dbraw/zinc/22/44/64/174224464.db2.gz UODMVAQEFSEPBW-GFCCVEGCSA-N 2 0 230.352 0.317 20 0 BCADRP COCCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000077341713 174233391 /nfs/dbraw/zinc/23/33/91/174233391.db2.gz ZIPSPVVJHKYLFG-GFCCVEGCSA-N 2 0 227.352 0.002 20 0 BCADRP COCCC[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000360252607 174262923 /nfs/dbraw/zinc/26/29/23/174262923.db2.gz WQYXNFFUGPPLTC-QWHCGFSZSA-N 2 0 244.379 0.848 20 0 BCADRP COCCN(CCOC)C[C@H]([NH3+])CC(C)C ZINC000042443000 174295771 /nfs/dbraw/zinc/29/57/71/174295771.db2.gz FSVJSFMVOWYMGH-GFCCVEGCSA-N 2 0 232.368 0.955 20 0 BCADRP COCCN(C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000336722839 174297835 /nfs/dbraw/zinc/29/78/35/174297835.db2.gz TWCZIAYUKALNMB-ZDUSSCGKSA-N 2 0 242.363 0.552 20 0 BCADRP COCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000036907475 174338806 /nfs/dbraw/zinc/33/88/06/174338806.db2.gz GXBHJFXQMYMVDO-GMTAPVOTSA-N 2 0 200.326 0.951 20 0 BCADRP COCCOCCC[NH2+]CC1CC[NH+](C)CC1 ZINC000054240410 174350026 /nfs/dbraw/zinc/35/00/26/174350026.db2.gz WPKRGTHELNAGEM-UHFFFAOYSA-N 2 0 244.379 0.971 20 0 BCADRP COCCOCCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000336775148 174350649 /nfs/dbraw/zinc/35/06/49/174350649.db2.gz YEYDUANCMMXFQG-NWDGAFQWSA-N 2 0 230.352 0.579 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(C)(C)C[NH3+] ZINC000044752127 175669713 /nfs/dbraw/zinc/66/97/13/175669713.db2.gz XKRFTUJWMRGZQM-VIFPVBQESA-N 2 0 215.341 0.428 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000054342106 175704815 /nfs/dbraw/zinc/70/48/15/175704815.db2.gz MHLZKDZLQCPWSN-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCC[NH3+] ZINC000237677668 176070497 /nfs/dbraw/zinc/07/04/97/176070497.db2.gz CAGFTMWFJLENJB-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000020179808 176072229 /nfs/dbraw/zinc/07/22/29/176072229.db2.gz SFQFJXUIDNYQCH-GFCCVEGCSA-N 2 0 211.353 0.766 20 0 BCADRP C[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000019685429 176096732 /nfs/dbraw/zinc/09/67/32/176096732.db2.gz RMELCCMFNNDZDI-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000237399900 176098306 /nfs/dbraw/zinc/09/83/06/176098306.db2.gz LKXQVZZCFGWZCB-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](CNC(=O)CCC[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000237401416 176103075 /nfs/dbraw/zinc/10/30/75/176103075.db2.gz NBMFEWJSHFTDPK-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC000336343916 176166449 /nfs/dbraw/zinc/16/64/49/176166449.db2.gz CWGFRCYRYGTVBG-VXGBXAGGSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1c[nH+]ccc1N ZINC000294679648 176185420 /nfs/dbraw/zinc/18/54/20/176185420.db2.gz BLONXAXXTRTNCG-KCJUWKMLSA-N 2 0 234.303 0.392 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000373520154 176186064 /nfs/dbraw/zinc/18/60/64/176186064.db2.gz FTFBEWRJWVUOAN-GRYCIOLGSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NCc1ccnn1C ZINC000334865443 176186182 /nfs/dbraw/zinc/18/61/82/176186182.db2.gz SZNJDTUXAKHLMJ-MWLCHTKSSA-N 2 0 208.309 0.508 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCn2ccnc2)C1 ZINC000126990108 176186218 /nfs/dbraw/zinc/18/62/18/176186218.db2.gz XZGMNAJQYLHFRK-GHMZBOCLSA-N 2 0 236.319 0.387 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000357292452 176187023 /nfs/dbraw/zinc/18/70/23/176187023.db2.gz GETPHWHCKYJVTD-RMPHRYRLSA-N 2 0 239.363 0.617 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCCCC[NH+](C)C)C1 ZINC000127069882 176187269 /nfs/dbraw/zinc/18/72/69/176187269.db2.gz YYIWMPNUTWAXJA-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CCC[NH3+] ZINC000309760326 176187583 /nfs/dbraw/zinc/18/75/83/176187583.db2.gz IORLEGWLXUNSKY-KKZNHRDASA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000367509399 176187721 /nfs/dbraw/zinc/18/77/21/176187721.db2.gz ZCCZLRZWMCRNER-DNRKLUKYSA-N 2 0 243.326 0.191 20 0 BCADRP C[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)[C@H](C)C[NH2+]1 ZINC000237401905 176244552 /nfs/dbraw/zinc/24/45/52/176244552.db2.gz HRLXSEWEJMNBSS-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@@H]1[NH3+] ZINC000333652236 176252307 /nfs/dbraw/zinc/25/23/07/176252307.db2.gz JZVJMOXSTCEDQH-MXWKQRLJSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000249144591 176257102 /nfs/dbraw/zinc/25/71/02/176257102.db2.gz ZUAKTDBHRSDKKI-ZYUZMQFOSA-N 2 0 213.325 0.179 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)[C@H]1CCOC1 ZINC000358048266 176269793 /nfs/dbraw/zinc/26/97/93/176269793.db2.gz PBLYAQUGGNWJMC-MROQNXINSA-N 2 0 242.363 0.314 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)O ZINC000126489388 176269874 /nfs/dbraw/zinc/26/98/74/176269874.db2.gz GAHCYEJXHNQUQS-ZJUUUORDSA-N 2 0 200.326 0.687 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000336751166 176270077 /nfs/dbraw/zinc/27/00/77/176270077.db2.gz CAECIYVLZXCBEH-GRYCIOLGSA-N 2 0 228.336 0.068 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000309784908 176271144 /nfs/dbraw/zinc/27/11/44/176271144.db2.gz NULMCXNJZMRRIX-RAIGVLPGSA-N 2 0 226.364 0.935 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1COCCO1 ZINC000309792227 176271364 /nfs/dbraw/zinc/27/13/64/176271364.db2.gz PMYSRILVIDTMFS-IJLUTSLNSA-N 2 0 228.336 0.332 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000336777716 176271876 /nfs/dbraw/zinc/27/18/76/176271876.db2.gz JIEFUJYDPPAGEF-NEPJUHHUSA-N 2 0 229.368 0.104 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCC(=O)N(C)C ZINC000037751911 176278015 /nfs/dbraw/zinc/27/80/15/176278015.db2.gz KDNWHEHKQPFKGQ-IJLUTSLNSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCO ZINC000036908335 176278042 /nfs/dbraw/zinc/27/80/42/176278042.db2.gz VMAMVINEFZCCMW-GMTAPVOTSA-N 2 0 200.326 0.687 20 0 BCADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCC[NH2+]1 ZINC000246572423 176323240 /nfs/dbraw/zinc/32/32/40/176323240.db2.gz SSHLECNLALBECW-GRYCIOLGSA-N 2 0 237.347 0.434 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000131722455 176367952 /nfs/dbraw/zinc/36/79/52/176367952.db2.gz DXISTHWBVWGFHC-PWSUYJOCSA-N 2 0 247.342 0.955 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1C ZINC000226403423 176373375 /nfs/dbraw/zinc/37/33/75/176373375.db2.gz XFKIVMXRIBYQGM-MDZLAQPJSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1C[C@@H](O)C[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000336647261 176383499 /nfs/dbraw/zinc/38/34/99/176383499.db2.gz LWBQZYOOKAZLRG-IJLUTSLNSA-N 2 0 212.337 0.926 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000357229280 176627069 /nfs/dbraw/zinc/62/70/69/176627069.db2.gz VOKIHXYPBSDNDN-NQBHXWOUSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H](CNC(=O)/C=C/C[NH+](C)C)C[NH+](C)C ZINC000293749923 176670975 /nfs/dbraw/zinc/67/09/75/176670975.db2.gz MAUXGBZVYIJATP-XUIVZRPNSA-N 2 0 227.352 0.418 20 0 BCADRP C[C@H]([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000163611076 176748424 /nfs/dbraw/zinc/74/84/24/176748424.db2.gz VLOLSRVVRZIDGS-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C[C@H](C)[NH3+] ZINC000037476456 176756278 /nfs/dbraw/zinc/75/62/78/176756278.db2.gz ZQEAZJHPAGSQOV-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC1CC[NH+](C)CC1 ZINC000069840021 176758277 /nfs/dbraw/zinc/75/82/77/176758277.db2.gz IUYZSCFFPSDBSC-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000180896615 176759060 /nfs/dbraw/zinc/75/90/60/176759060.db2.gz ZFVBTQZANSDKTI-GXSJLCMTSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000364170889 176759149 /nfs/dbraw/zinc/75/91/49/176759149.db2.gz NETKYXNIOVYIKO-QWRGUYRKSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H](NCC1([NH3+])CCC1)[C@H]1CCCC[NH2+]1 ZINC000332428712 176836534 /nfs/dbraw/zinc/83/65/34/176836534.db2.gz AEDPSCMJQLIVCO-WDEREUQCSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298711 177109744 /nfs/dbraw/zinc/10/97/44/177109744.db2.gz SMJINBQERKGVIA-NSHDSACASA-N 2 0 225.336 0.293 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1c[nH+]ccc1N ZINC000294679649 177174193 /nfs/dbraw/zinc/17/41/93/177174193.db2.gz BLONXAXXTRTNCG-KWQFWETISA-N 2 0 234.303 0.392 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCCCC[NH+](C)C)C1 ZINC000127070616 177175805 /nfs/dbraw/zinc/17/58/05/177175805.db2.gz YYIWMPNUTWAXJA-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(C)CC1 ZINC000120123396 177186544 /nfs/dbraw/zinc/18/65/44/177186544.db2.gz NBAAHHHYJDJAQG-TXEJJXNPSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000367385635 177222966 /nfs/dbraw/zinc/22/29/66/177222966.db2.gz KRGYPLLYNVLRTC-IRCOFANPSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]1CN(C(=O)[C@]2(C)CCCC[NH2+]2)CC[NH2+]1 ZINC000180897618 177225610 /nfs/dbraw/zinc/22/56/10/177225610.db2.gz XCBMEPGUUUVUKR-JQWIXIFHSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCN1CCC1 ZINC000309162406 177234311 /nfs/dbraw/zinc/23/43/11/177234311.db2.gz ZOOGRNHAXVAKBR-NWDGAFQWSA-N 2 0 211.353 0.622 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000341211602 177234673 /nfs/dbraw/zinc/23/46/73/177234673.db2.gz OQRQOELTDFZCQL-JQWIXIFHSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000362390422 177237465 /nfs/dbraw/zinc/23/74/65/177237465.db2.gz SMNAERXXTSQEFF-NWDGAFQWSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1NC1CC[NH+](C)CC1 ZINC000335605723 177237562 /nfs/dbraw/zinc/23/75/62/177237562.db2.gz GBXZXONWRDBNPX-CMPLNLGQSA-N 2 0 211.353 0.620 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000362375781 177237595 /nfs/dbraw/zinc/23/75/95/177237595.db2.gz MFKXOAYZFLRGRN-NWDGAFQWSA-N 2 0 239.363 0.348 20 0 BCADRP C[C@H]1C[N@H+](CCOCC[NH3+])[C@@H](C)CO1 ZINC000223211334 177252234 /nfs/dbraw/zinc/25/22/34/177252234.db2.gz XBWWJGXWBZTPHJ-UWVGGRQHSA-N 2 0 202.298 0.071 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)C1CC[NH+](C)CC1 ZINC000126113971 177282730 /nfs/dbraw/zinc/28/27/30/177282730.db2.gz YXTPXBGUSXIROZ-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000333643047 177283433 /nfs/dbraw/zinc/28/34/33/177283433.db2.gz IPJGTAAKMIFMEB-HBNTYKKESA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]1CN(C(=O)c2coc(C[NH3+])c2)[C@@H](C)C[NH2+]1 ZINC000334147189 177286479 /nfs/dbraw/zinc/28/64/79/177286479.db2.gz SWNGSNIOBITDIR-BDAKNGLRSA-N 2 0 237.303 0.561 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NCC(C)(C)[NH3+])CC[NH2+]1 ZINC000334199774 177308510 /nfs/dbraw/zinc/30/85/10/177308510.db2.gz PQYAKNOXHOEOHW-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H](CCO)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000127212906 177333395 /nfs/dbraw/zinc/33/33/95/177333395.db2.gz HEMLMDNVSACFGD-OUAUKWLOSA-N 2 0 212.337 0.972 20 0 BCADRP C[C@H]1C[C@@H]1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000309820935 177344984 /nfs/dbraw/zinc/34/49/84/177344984.db2.gz WHQIOSCZBXCVMA-WCQYABFASA-N 2 0 226.364 0.936 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000352483114 177354516 /nfs/dbraw/zinc/35/45/16/177354516.db2.gz YFZUQSKEEZXEPE-QJPTWQEYSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000237637605 177367532 /nfs/dbraw/zinc/36/75/32/177367532.db2.gz DHBLBGZYCREHLC-IUCAKERBSA-N 2 0 225.336 0.465 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000368010495 177395589 /nfs/dbraw/zinc/39/55/89/177395589.db2.gz SHYAQUHWOJKWNN-IJLUTSLNSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000367385742 177395772 /nfs/dbraw/zinc/39/57/72/177395772.db2.gz KZMQOZGMBASDDG-KKOKHZNYSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000094648196 177396160 /nfs/dbraw/zinc/39/61/60/177396160.db2.gz ZWOSTHOBJLBCMI-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368198862 177396178 /nfs/dbraw/zinc/39/61/78/177396178.db2.gz DMRWPVCRGZNCCK-VPOLOUISSA-N 2 0 243.326 0.191 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000368558656 177396200 /nfs/dbraw/zinc/39/62/00/177396200.db2.gz WDCRTVMRLSQLHX-OUAUKWLOSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000333650126 177419510 /nfs/dbraw/zinc/41/95/10/177419510.db2.gz VQCYJYQNIDUWEE-YTWAJWBKSA-N 2 0 225.336 0.323 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@H](C)[NH+](C)C ZINC000038089337 487640745 /nfs/dbraw/zinc/64/07/45/487640745.db2.gz CQIVZOUEIXOIHA-VIFPVBQESA-N 2 0 201.314 0.051 20 0 BCADRP [NH3+]C1(C(=O)NCC[C@H]2CC[NH2+]C2)CCCC1 ZINC000178408504 487640920 /nfs/dbraw/zinc/64/09/20/487640920.db2.gz HCBXLINGSIYVSN-SNVBAGLBSA-N 2 0 225.336 0.374 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@@H]([NH3+])C1CCC1)c1ccccc1 ZINC000422534230 224858499 /nfs/dbraw/zinc/85/84/99/224858499.db2.gz ALPIZHDUCZSSLK-STQMWFEESA-N 2 0 247.342 0.930 20 0 BCADRP COC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400386467 225128579 /nfs/dbraw/zinc/12/85/79/225128579.db2.gz MAFIMCMNCWMFRO-VWYCJHECSA-N 2 0 200.326 0.999 20 0 BCADRP COC[C@H](C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400386462 225129553 /nfs/dbraw/zinc/12/95/53/225129553.db2.gz MAFIMCMNCWMFRO-MXWKQRLJSA-N 2 0 200.326 0.999 20 0 BCADRP C[C@@H](C[C@H]1COCCN1)[NH2+]C[C@@H]1CCCN1C ZINC000226011893 487644119 /nfs/dbraw/zinc/64/41/19/487644119.db2.gz MOMQOJJWXBHRNB-AVGNSLFASA-N 2 0 241.379 0.437 20 0 BCADRP O=C(C=Cc1c[nH]cn1)NCC[NH+]1CCC1 ZINC000492899402 226078467 /nfs/dbraw/zinc/07/84/67/226078467.db2.gz MGBTZURYOWVCSD-NSCUHMNNSA-N 2 0 220.276 0.245 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)C1CC[NH+](C)CC1 ZINC000495114966 226276747 /nfs/dbraw/zinc/27/67/47/226276747.db2.gz CXPMMCPHJLCAHB-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](NCC1=CC[N@H+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400560765 226346443 /nfs/dbraw/zinc/34/64/43/226346443.db2.gz HUKSSWOPPBAOOB-AAEUAGOBSA-N 3 0 223.364 0.978 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000557169154 322934788 /nfs/dbraw/zinc/93/47/88/322934788.db2.gz YKFYTSQDGMERNZ-MNOVXSKESA-N 2 0 227.352 0.489 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000226082853 487656325 /nfs/dbraw/zinc/65/63/25/487656325.db2.gz WWNCMRYVQHRELT-SNVBAGLBSA-N 2 0 213.325 0.195 20 0 BCADRP O[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000328329310 487657394 /nfs/dbraw/zinc/65/73/94/487657394.db2.gz HAKBZMWXOBCITC-FVCCEPFGSA-N 2 0 224.348 0.689 20 0 BCADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](C)[NH3+] ZINC000669588389 487657413 /nfs/dbraw/zinc/65/74/13/487657413.db2.gz BUSCXLNTDSWUSB-GHMZBOCLSA-N 2 0 244.383 0.753 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](CC)[C@@H](C)C1 ZINC000383659664 487658622 /nfs/dbraw/zinc/65/86/22/487658622.db2.gz LGCKMWIHJLINDI-QWHCGFSZSA-N 2 0 243.395 0.325 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000087471667 487659500 /nfs/dbraw/zinc/65/95/00/487659500.db2.gz USBGZIQWFDPMDC-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H](C)[NH3+] ZINC000669589378 487660325 /nfs/dbraw/zinc/66/03/25/487660325.db2.gz GITSAWXUUIPVNJ-QWRGUYRKSA-N 2 0 244.383 0.753 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H]1CO ZINC000383678062 487660047 /nfs/dbraw/zinc/66/00/47/487660047.db2.gz QAKJOYJECHYFAV-AGIUHOORSA-N 2 0 244.379 0.390 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000309396362 262726123 /nfs/dbraw/zinc/72/61/23/262726123.db2.gz GQRMUYWCFPCWBD-ZETCQYMHSA-N 2 0 223.267 0.085 20 0 BCADRP C[N@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCCOC1 ZINC000082545994 487669953 /nfs/dbraw/zinc/66/99/53/487669953.db2.gz BXPNVNOKMNZLPR-NEPJUHHUSA-N 2 0 212.337 0.954 20 0 BCADRP COC[C@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000164998502 229171882 /nfs/dbraw/zinc/17/18/82/229171882.db2.gz HGTLREZTLAPLCR-NSHDSACASA-N 2 0 230.352 0.315 20 0 BCADRP C[NH+](C)C/C=C\C(=O)N1CC[N@H+](C)CC1(C)C ZINC000492282740 229212798 /nfs/dbraw/zinc/21/27/98/229212798.db2.gz HYXPOBHTEARMFL-SREVYHEPSA-N 2 0 239.363 0.657 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662648822 487685040 /nfs/dbraw/zinc/68/50/40/487685040.db2.gz KHVQLQBZICSOEI-QWRGUYRKSA-N 2 0 239.363 0.762 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000393787113 487689438 /nfs/dbraw/zinc/68/94/38/487689438.db2.gz YUYQAFVRYCTGGT-VIFPVBQESA-N 2 0 213.325 0.100 20 0 BCADRP C[C@@H](C[NH2+]CC1(F)CC1)CN1CC[NH+](C)CC1 ZINC000527518836 262851414 /nfs/dbraw/zinc/85/14/14/262851414.db2.gz CKVMFGBFOOAGSY-LBPRGKRZSA-N 2 0 243.370 0.962 20 0 BCADRP CC(C)[C@@H](C(=O)NCC[NH2+]C1CC1)[NH+](C)C ZINC000151498344 487701916 /nfs/dbraw/zinc/70/19/16/487701916.db2.gz GTTOFAYMERXIAZ-NSHDSACASA-N 2 0 227.352 0.441 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH3+])C1 ZINC000669402957 487703767 /nfs/dbraw/zinc/70/37/67/487703767.db2.gz BYVXWGAZGSZYRD-SECBINFHSA-N 2 0 228.340 0.117 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000669403131 487705127 /nfs/dbraw/zinc/70/51/27/487705127.db2.gz LEKQRVAKGIUZEN-WDEREUQCSA-N 2 0 240.351 0.084 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000669403340 487705142 /nfs/dbraw/zinc/70/51/42/487705142.db2.gz VZEUACGBKRUULL-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)[NH+](C)C ZINC000672516941 487705100 /nfs/dbraw/zinc/70/51/00/487705100.db2.gz BXERCVUZCGGEFR-IUCAKERBSA-N 2 0 201.314 0.003 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000669403130 487705784 /nfs/dbraw/zinc/70/57/84/487705784.db2.gz LEKQRVAKGIUZEN-QWRGUYRKSA-N 2 0 240.351 0.084 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000669403021 487705892 /nfs/dbraw/zinc/70/58/92/487705892.db2.gz FJCSKOAKCTXQSA-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]1C[C@H]1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000082648646 487707442 /nfs/dbraw/zinc/70/74/42/487707442.db2.gz RZUIDTGTQHONDC-RYUDHWBXSA-N 2 0 211.353 0.479 20 0 BCADRP O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000033792076 487707443 /nfs/dbraw/zinc/70/74/43/487707443.db2.gz OHMZVNUOFZJEOH-MNOVXSKESA-N 2 0 225.336 0.387 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000353958963 487709792 /nfs/dbraw/zinc/70/97/92/487709792.db2.gz IIUBATFTHUWFCN-NSHDSACASA-N 2 0 229.368 0.783 20 0 BCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H](C)[NH+](C)C ZINC000674245079 487718510 /nfs/dbraw/zinc/71/85/10/487718510.db2.gz BGLCNEOBJGSZQU-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000674245419 487718614 /nfs/dbraw/zinc/71/86/14/487718614.db2.gz LXOWVDAJGQIWSH-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000662824183 487723541 /nfs/dbraw/zinc/72/35/41/487723541.db2.gz ZISWUCBBVAXODS-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP [NH3+]CCCN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903541414 584781836 /nfs/dbraw/zinc/78/18/36/584781836.db2.gz VRWNOOJDXNOWNY-HTQZYQBOSA-N 2 0 225.258 0.547 20 0 BCADRP [NH3+]CCCN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903541417 584781837 /nfs/dbraw/zinc/78/18/37/584781837.db2.gz VRWNOOJDXNOWNY-YUMQZZPRSA-N 2 0 225.258 0.547 20 0 BCADRP C[NH+](C)CCCNC(=O)CC(C)(C)[NH3+] ZINC000082771602 487728009 /nfs/dbraw/zinc/72/80/09/487728009.db2.gz OCJVYLXAOQXMOG-UHFFFAOYSA-N 2 0 201.314 0.182 20 0 BCADRP CC[N@H+](CCNC(=O)C1([NH3+])CCCC1)C1CC1 ZINC000226397604 487731399 /nfs/dbraw/zinc/73/13/99/487731399.db2.gz SWUVTIACBQSLTC-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP CN1CCN(C(=O)[C@@H]2CC=CCC2)[C@H](C[NH3+])C1 ZINC000250418646 487732075 /nfs/dbraw/zinc/73/20/75/487732075.db2.gz YNUWPRZIOVLLFY-VXGBXAGGSA-N 2 0 237.347 0.444 20 0 BCADRP CN(C[C@@H]1C[NH2+]CCO1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000250428977 487732096 /nfs/dbraw/zinc/73/20/96/487732096.db2.gz QRRVDIPLRQEWPH-STQMWFEESA-N 2 0 239.363 0.143 20 0 BCADRP CC[NH+]1CCC(C[NH2+]Cc2ncnn2C)CC1 ZINC000088572152 487734289 /nfs/dbraw/zinc/73/42/89/487734289.db2.gz AJXFSVVMUCCAQC-UHFFFAOYSA-N 2 0 237.351 0.637 20 0 BCADRP C[C@H](CNC(=O)CC(C)(C)[NH3+])[N@H+](C)C1CC1 ZINC000226398845 487734594 /nfs/dbraw/zinc/73/45/94/487734594.db2.gz XYRWBSUZCFHIGN-SECBINFHSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H]1CN(C(=O)CC2([NH3+])CCC2)CC[NH2+]1 ZINC000155228041 487739290 /nfs/dbraw/zinc/73/92/90/487739290.db2.gz WCPAHRMLEQESOP-VIFPVBQESA-N 2 0 211.309 0.078 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250787527 487739885 /nfs/dbraw/zinc/73/98/85/487739885.db2.gz YUKLHSKDBFGGAU-RYUDHWBXSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261845589 487741929 /nfs/dbraw/zinc/74/19/29/487741929.db2.gz PYZMDOBPFWMGBB-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP Cc1c[nH+]ccc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651450646 487743918 /nfs/dbraw/zinc/74/39/18/487743918.db2.gz DZHFLJIOOIETBO-GFCCVEGCSA-N 2 0 233.315 0.645 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)NCCC[NH2+]C)C1 ZINC000659505129 487744834 /nfs/dbraw/zinc/74/48/34/487744834.db2.gz PWMDFNKHJQEFLY-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674263437 487756387 /nfs/dbraw/zinc/75/63/87/487756387.db2.gz IKQZDRSWUJIRBA-NSHDSACASA-N 2 0 241.379 0.879 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659515587 487762336 /nfs/dbraw/zinc/76/23/36/487762336.db2.gz KNPWWHVVBOWQIH-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638506565 487764646 /nfs/dbraw/zinc/76/46/46/487764646.db2.gz WUVMGXKEPOHICJ-BDAKNGLRSA-N 2 0 211.309 0.125 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000662964918 487773236 /nfs/dbraw/zinc/77/32/36/487773236.db2.gz JOUIGSOKJLVYBE-JQWIXIFHSA-N 2 0 235.331 0.719 20 0 BCADRP CC[C@@H]1C[N@H+](CCn2cccn2)CC[C@H]1[NH3+] ZINC000251727337 487793027 /nfs/dbraw/zinc/79/30/27/487793027.db2.gz KFUSVCMDECNJGF-VXGBXAGGSA-N 2 0 222.336 0.942 20 0 BCADRP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000251798757 487797711 /nfs/dbraw/zinc/79/77/11/487797711.db2.gz LVUJZYXEWSRXGL-VWYCJHECSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000251798754 487797838 /nfs/dbraw/zinc/79/78/38/487797838.db2.gz LVUJZYXEWSRXGL-OUAUKWLOSA-N 2 0 225.336 0.182 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H](C)[NH3+] ZINC000669416329 487798605 /nfs/dbraw/zinc/79/86/05/487798605.db2.gz NDGNASWTPXSMLH-NXEZZACHSA-N 2 0 230.356 0.363 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)CC[N@@H+]1C ZINC000156106629 487814282 /nfs/dbraw/zinc/81/42/82/487814282.db2.gz ZHYBRKKYFWNATC-VWYCJHECSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000156181176 487822312 /nfs/dbraw/zinc/82/23/12/487822312.db2.gz BOQWGIUCZKUCCW-YFKTTZPYSA-N 2 0 239.363 0.700 20 0 BCADRP OCCCCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000229125392 487822675 /nfs/dbraw/zinc/82/26/75/487822675.db2.gz FVSMVCVLGQUVCH-GFCCVEGCSA-N 2 0 230.352 0.195 20 0 BCADRP CO[C@H](C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000224176669 487824383 /nfs/dbraw/zinc/82/43/83/487824383.db2.gz BQKNDCFZTSLPEX-GHMZBOCLSA-N 2 0 216.325 0.068 20 0 BCADRP CN(C[C@H]1CCC[N@@H+]1C)C[C@H]1CC[NH2+]C1 ZINC000252583031 487826754 /nfs/dbraw/zinc/82/67/54/487826754.db2.gz WVWUAEAWLQNHQH-NWDGAFQWSA-N 2 0 211.353 0.622 20 0 BCADRP Cn1cc(CN[C@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)nn1 ZINC000671760111 487829490 /nfs/dbraw/zinc/82/94/90/487829490.db2.gz DXAZLPHWOMWLSP-AGIUHOORSA-N 2 0 249.362 0.778 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCC[NH2+]1 ZINC000252713835 487830883 /nfs/dbraw/zinc/83/08/83/487830883.db2.gz QHKNBDVDOOMGAJ-SDDRHHMPSA-N 2 0 237.347 0.481 20 0 BCADRP C[NH2+]CCCC(=O)NCCCCCC[NH3+] ZINC000843505801 588117066 /nfs/dbraw/zinc/11/70/66/588117066.db2.gz NNWGFZZVPWSZQD-UHFFFAOYSA-N 2 0 215.341 0.621 20 0 BCADRP CC(C)[N@H+](C)CCCNC(=[NH2+])N1CCC1 ZINC000848987548 588426483 /nfs/dbraw/zinc/42/64/83/588426483.db2.gz FPEWVIPZFXFZJA-UHFFFAOYSA-N 2 0 212.341 0.947 20 0 BCADRP CC(C)N1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1=O ZINC000565903225 322948553 /nfs/dbraw/zinc/94/85/53/322948553.db2.gz FXIVCXIOIQWLDF-WOPDTQHZSA-N 2 0 239.363 0.855 20 0 BCADRP CC(C)N1CC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1=O ZINC000565903221 322948585 /nfs/dbraw/zinc/94/85/85/322948585.db2.gz FXIVCXIOIQWLDF-SRVKXCTJSA-N 2 0 239.363 0.855 20 0 BCADRP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000224450993 487841170 /nfs/dbraw/zinc/84/11/70/487841170.db2.gz ZYDKUMMKXHVKTC-JHJVBQTASA-N 2 0 242.363 0.600 20 0 BCADRP CC[C@H]1CN(C(=O)C[C@@H](C)[NH3+])CC[C@H]1[NH3+] ZINC000870941067 589699438 /nfs/dbraw/zinc/69/94/38/589699438.db2.gz RSUASJOANFWXAL-KXUCPTDWSA-N 2 0 213.325 0.310 20 0 BCADRP CCCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594873978 487852714 /nfs/dbraw/zinc/85/27/14/487852714.db2.gz YIERJSQPLOCCGB-NXEZZACHSA-N 2 0 211.309 0.030 20 0 BCADRP C[C@@H]1CN(C(=O)CC(C)(C)C[NH3+])CC[NH2+]1 ZINC000911808592 639829766 /nfs/dbraw/zinc/82/97/66/639829766.db2.gz FOPROPSHABPBEH-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000373068805 487857082 /nfs/dbraw/zinc/85/70/82/487857082.db2.gz GUSIGUTVCNCNLO-NOHGZBONSA-N 2 0 237.347 0.195 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)C[C@H](C)[NH3+])C1 ZINC000226684635 487857495 /nfs/dbraw/zinc/85/74/95/487857495.db2.gz NHLOCQSWZPDVNU-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000648122100 487860540 /nfs/dbraw/zinc/86/05/40/487860540.db2.gz JTYQOLBNQSRBOQ-QGKZMRNZSA-N 2 0 223.320 0.123 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H](C)[NH3+] ZINC000659540942 487867809 /nfs/dbraw/zinc/86/78/09/487867809.db2.gz YMPLXWUIYOGCGG-RKDXNWHRSA-N 2 0 216.329 0.006 20 0 BCADRP C[C@H](C[NH2+]Cc1cc[nH]c1)N1CC[NH+](C)CC1 ZINC000086252944 322962207 /nfs/dbraw/zinc/96/22/07/322962207.db2.gz NGMBCDBDTRZFEH-GFCCVEGCSA-N 2 0 236.363 0.740 20 0 BCADRP C([NH2+][C@H]1CC12CC[NH2+]CC2)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663217986 487876788 /nfs/dbraw/zinc/87/67/88/487876788.db2.gz UZVJOVHJUNKMSR-MDZLAQPJSA-N 3 0 221.348 0.328 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000564957591 322980315 /nfs/dbraw/zinc/98/03/15/322980315.db2.gz QQGNZDZIJUFURV-ADEWGFFLSA-N 2 0 239.363 0.346 20 0 BCADRP [NH3+]C/C=C/CNC(=O)NCCC1CC[NH2+]CC1 ZINC000652219943 487884673 /nfs/dbraw/zinc/88/46/73/487884673.db2.gz PUDBUMHCDCZZKV-OWOJBTEDSA-N 2 0 240.351 0.190 20 0 BCADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccccc1-n1cncn1 ZINC000666825490 487886661 /nfs/dbraw/zinc/88/66/61/487886661.db2.gz QHFHKFNRXGTRFW-NSHDSACASA-N 2 0 245.330 0.952 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000669462781 487909335 /nfs/dbraw/zinc/90/93/35/487909335.db2.gz FQKHNRIEGSQXEY-RKDXNWHRSA-N 2 0 228.340 0.116 20 0 BCADRP Cc1n[nH]c(C)c1CNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666945174 487909717 /nfs/dbraw/zinc/90/97/17/487909717.db2.gz BKHJTRFURFTFLL-UWVGGRQHSA-N 2 0 226.299 0.816 20 0 BCADRP C[NH+](C)CCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652317277 487916932 /nfs/dbraw/zinc/91/69/32/487916932.db2.gz MAWIVHKRYAGLEB-UHFFFAOYSA-N 2 0 242.367 0.237 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000309403658 487920756 /nfs/dbraw/zinc/92/07/56/487920756.db2.gz HTVVDRJCURULCN-ATZCPNFKSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000647719477 487920219 /nfs/dbraw/zinc/92/02/19/487920219.db2.gz RXHYVWNAAKRTTI-OUAUKWLOSA-N 2 0 225.336 0.243 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)NCC[NH2+]C ZINC000417299327 487923502 /nfs/dbraw/zinc/92/35/02/487923502.db2.gz MMAWSLCWBCLNBG-JTQLQIEISA-N 2 0 230.356 0.235 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCC[C@H](C)[NH3+] ZINC000417293961 487923628 /nfs/dbraw/zinc/92/36/28/487923628.db2.gz APWIIXIWHXXJLL-WDEREUQCSA-N 2 0 244.383 0.753 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000157850228 487927060 /nfs/dbraw/zinc/92/70/60/487927060.db2.gz UDPUGIAJTPPTKU-MNOVXSKESA-N 2 0 227.352 0.583 20 0 BCADRP [NH3+]CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352366 487929622 /nfs/dbraw/zinc/92/96/22/487929622.db2.gz KYOQBFAJKVQCHZ-RYUDHWBXSA-N 3 0 227.352 0.023 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)CC[NH2+]C ZINC000417448643 487929123 /nfs/dbraw/zinc/92/91/23/487929123.db2.gz VSQOEZSCLMWVJN-NSHDSACASA-N 2 0 244.383 0.578 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000449106809 487929771 /nfs/dbraw/zinc/92/97/71/487929771.db2.gz JYKUEVRHJZMQOV-AGIUHOORSA-N 2 0 247.342 0.930 20 0 BCADRP C[C@H]([NH3+])CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363662 487932490 /nfs/dbraw/zinc/93/24/90/487932490.db2.gz KOMNAMJLGPDRNB-WUHRBBMRSA-N 3 0 241.379 0.694 20 0 BCADRP CN(CCOCC[NH3+])CC[NH+]1CCCCC1 ZINC000652363720 487932586 /nfs/dbraw/zinc/93/25/86/487932586.db2.gz LZLYDGVZDNGCPS-UHFFFAOYSA-N 2 0 229.368 0.379 20 0 BCADRP C[NH2+][C@H](C)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396427566 487933601 /nfs/dbraw/zinc/93/36/01/487933601.db2.gz BQCVKNRGGFMWDG-NXEZZACHSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C[NH2+]CC1CC1 ZINC000154050174 487936610 /nfs/dbraw/zinc/93/66/10/487936610.db2.gz NIEZLMPOZZNGCV-MWLCHTKSSA-N 2 0 225.336 0.324 20 0 BCADRP NC(=O)C[C@H]1CC[N@H+](CCCn2ccnc2)C1 ZINC000676881309 487938299 /nfs/dbraw/zinc/93/82/99/487938299.db2.gz SDEUDRDUAAHZAR-LLVKDONJSA-N 2 0 236.319 0.471 20 0 BCADRP C[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000083847053 487944003 /nfs/dbraw/zinc/94/40/03/487944003.db2.gz BZKFLIWRZAZGSG-WAAKLRNESA-N 2 0 212.337 0.972 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)CC(C)(C)[NH3+] ZINC000309422152 487945965 /nfs/dbraw/zinc/94/59/65/487945965.db2.gz JYWSVCZVNCVYIH-VIFPVBQESA-N 2 0 215.341 0.748 20 0 BCADRP C[NH+](C)C1(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000667158616 487949426 /nfs/dbraw/zinc/94/94/26/487949426.db2.gz CKPAUAJIZNACQF-UHFFFAOYSA-N 2 0 225.336 0.291 20 0 BCADRP CC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@@H]1C ZINC000677172008 487951423 /nfs/dbraw/zinc/95/14/23/487951423.db2.gz CGTNREVLCZKWIM-NWDGAFQWSA-N 2 0 239.363 0.491 20 0 BCADRP CN(C)C1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000667182328 487954427 /nfs/dbraw/zinc/95/44/27/487954427.db2.gz ZSXNBIQUDPZATB-JTQLQIEISA-N 2 0 237.347 0.434 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000417809036 487956778 /nfs/dbraw/zinc/95/67/78/487956778.db2.gz APJHFTHLXMKGNP-WYUUTHIRSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000417809035 487956866 /nfs/dbraw/zinc/95/68/66/487956866.db2.gz APJHFTHLXMKGNP-RHYQMDGZSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000566216319 322970487 /nfs/dbraw/zinc/97/04/87/322970487.db2.gz DQOKTMUMAMGXMB-HTQZYQBOSA-N 2 0 222.292 0.873 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000564947245 322976801 /nfs/dbraw/zinc/97/68/01/322976801.db2.gz DOAQKNDANMBDHP-VHSXEESVSA-N 2 0 225.336 0.243 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000566249612 322979832 /nfs/dbraw/zinc/97/98/32/322979832.db2.gz ZGYFGRPXYVLCOY-IJLUTSLNSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](O)[C@H]2CCOC2)C1 ZINC000566483445 323001446 /nfs/dbraw/zinc/00/14/46/323001446.db2.gz UIRFRHHHNQNXGV-USZNOCQGSA-N 2 0 228.336 0.243 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CC[NH3+] ZINC000566853721 323019167 /nfs/dbraw/zinc/01/91/67/323019167.db2.gz RYWYSAVSDYUVJJ-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000562809421 323031166 /nfs/dbraw/zinc/03/11/66/323031166.db2.gz USVXTRRCUVQZMD-SFYZADRCSA-N 2 0 201.314 0.213 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)[C@@H]1CCCCC[NH2+]1)C(F)F ZINC000562810654 323031245 /nfs/dbraw/zinc/03/12/45/323031245.db2.gz YLKZSACAGUSQKN-BDAKNGLRSA-N 2 0 249.305 0.617 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@H]1CCCCC[NH2+]1)C(F)F ZINC000562810655 323031247 /nfs/dbraw/zinc/03/12/47/323031247.db2.gz YLKZSACAGUSQKN-DTWKUNHWSA-N 2 0 249.305 0.617 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000569676853 323036436 /nfs/dbraw/zinc/03/64/36/323036436.db2.gz HKCNQKXAQKDQPI-NNYUYHANSA-N 2 0 237.347 0.195 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CC[NH2+]C[C@H]1C(F)F ZINC000569724520 323038942 /nfs/dbraw/zinc/03/89/42/323038942.db2.gz VJPZIBOGYLWBLC-UWVGGRQHSA-N 2 0 235.322 0.899 20 0 BCADRP COCCCN(C)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000569745383 323039689 /nfs/dbraw/zinc/03/96/89/323039689.db2.gz UYDPKSGVZKUCIE-STQMWFEESA-N 2 0 243.395 0.814 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)C1CC[NH2+]CC1 ZINC000569848133 323042549 /nfs/dbraw/zinc/04/25/49/323042549.db2.gz RZSLIPJJHBEGDH-JFGNBEQYSA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000570094114 323049668 /nfs/dbraw/zinc/04/96/68/323049668.db2.gz CEFKUWPQATZCCS-VHSXEESVSA-N 2 0 211.309 0.077 20 0 BCADRP COC[C@@H](C)C[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000570144019 323050989 /nfs/dbraw/zinc/05/09/89/323050989.db2.gz ZJESGUHZCXLBMK-RYUDHWBXSA-N 2 0 230.352 0.627 20 0 BCADRP C[C@@]1(C(=O)NCC2(C)CC[NH2+]CC2)CCC[NH2+]1 ZINC000570187930 323052295 /nfs/dbraw/zinc/05/22/95/323052295.db2.gz GEZTUHAXROEQMC-ZDUSSCGKSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000570278740 323054887 /nfs/dbraw/zinc/05/48/87/323054887.db2.gz JOUSKXOPIBUWIA-WXHSDQCUSA-N 2 0 247.342 0.943 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000570307085 323055969 /nfs/dbraw/zinc/05/59/69/323055969.db2.gz BMGFWDQLCDRONR-DLOVCJGASA-N 2 0 237.347 0.337 20 0 BCADRP CCC[NH2+]CCNC(=O)N(C)CCC[NH+](C)C ZINC000570501567 323061252 /nfs/dbraw/zinc/06/12/52/323061252.db2.gz VAFLLYVFFPMHLF-UHFFFAOYSA-N 2 0 244.383 0.579 20 0 BCADRP CSC[C@H](O)C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000570564462 323063172 /nfs/dbraw/zinc/06/31/72/323063172.db2.gz QWZOALKHLXBNGC-UTUOFQBUSA-N 2 0 244.404 0.927 20 0 BCADRP O=C(COC1C[NH2+]C1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000570570354 323063427 /nfs/dbraw/zinc/06/34/27/323063427.db2.gz VYLPMLPDFSNENO-UHFFFAOYSA-N 2 0 247.298 0.217 20 0 BCADRP CNC(=O)CCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000570579290 323063787 /nfs/dbraw/zinc/06/37/87/323063787.db2.gz IHMUXKOEQYVQGT-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)[NH+](C)C ZINC000156204217 323064995 /nfs/dbraw/zinc/06/49/95/323064995.db2.gz IQGBQAQNNDPRBW-RYUDHWBXSA-N 2 0 241.379 0.783 20 0 BCADRP CN(CCOC[C@@H]1CCCO1)[C@@H](C[NH3+])C1CC1 ZINC000570682816 323066959 /nfs/dbraw/zinc/06/69/59/323066959.db2.gz ANIOOTRJWNXPJJ-STQMWFEESA-N 2 0 242.363 0.851 20 0 BCADRP Nc1cc[nH+]cc1-c1nc(C2([NH3+])CCC2)no1 ZINC000570681892 323066965 /nfs/dbraw/zinc/06/69/65/323066965.db2.gz JCFSFMNNLQOUFT-UHFFFAOYSA-N 2 0 231.259 0.882 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000570716874 323068461 /nfs/dbraw/zinc/06/84/61/323068461.db2.gz FBCLFQJVJWUQOG-GMXVVIOVSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000570716886 323068469 /nfs/dbraw/zinc/06/84/69/323068469.db2.gz FFFZKPTWEUQPMF-AXFHLTTASA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000570800057 323070998 /nfs/dbraw/zinc/07/09/98/323070998.db2.gz ICEGDWPQJVFGGM-NXEZZACHSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[NH3+] ZINC000570827290 323071882 /nfs/dbraw/zinc/07/18/82/323071882.db2.gz OPLFOSCNTGROAP-LLVKDONJSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+]CC1CC[NH2+]CC1 ZINC000570843887 323072256 /nfs/dbraw/zinc/07/22/56/323072256.db2.gz VTANUOPUOBHOJI-SNVBAGLBSA-N 2 0 223.324 0.256 20 0 BCADRP COCC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000570928628 323074509 /nfs/dbraw/zinc/07/45/09/323074509.db2.gz KQKIFOUDFQTXGP-LLVKDONJSA-N 2 0 228.336 0.320 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000562976313 323077754 /nfs/dbraw/zinc/07/77/54/323077754.db2.gz AFUYFHUGNMNJLK-ZRUFSTJUSA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000562980811 323077932 /nfs/dbraw/zinc/07/79/32/323077932.db2.gz LBWYNVBBDXESGU-LURJTMIESA-N 2 0 241.257 0.367 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000040490584 323089859 /nfs/dbraw/zinc/08/98/59/323089859.db2.gz SFONRDQYIAQCBS-MXWKQRLJSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000567821666 323089915 /nfs/dbraw/zinc/08/99/15/323089915.db2.gz HFUNFJSJHHRDMK-XKNYDFJKSA-N 2 0 228.340 0.243 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000563093214 323091819 /nfs/dbraw/zinc/09/18/19/323091819.db2.gz YGXQYIQPJBGJSD-HOSYDEDBSA-N 2 0 242.367 0.493 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000563093183 323091825 /nfs/dbraw/zinc/09/18/25/323091825.db2.gz XWLSGGARISQCIE-KXUCPTDWSA-N 2 0 228.340 0.116 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000563093185 323091839 /nfs/dbraw/zinc/09/18/39/323091839.db2.gz XWLSGGARISQCIE-OPRDCNLKSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(CC[NH+](C)C)C1CC1 ZINC000563097334 323092237 /nfs/dbraw/zinc/09/22/37/323092237.db2.gz UFIWEAWNFLSTDF-CMPLNLGQSA-N 2 0 239.363 0.537 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000563105724 323092688 /nfs/dbraw/zinc/09/26/88/323092688.db2.gz RGZBEKFHMJJLFK-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000563107735 323092792 /nfs/dbraw/zinc/09/27/92/323092792.db2.gz ZTKUJWVONNQGOH-MNOVXSKESA-N 2 0 227.352 0.489 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000563109823 323092933 /nfs/dbraw/zinc/09/29/33/323092933.db2.gz AETYOESZUNPSIW-BJDJZHNGSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000563109666 323092936 /nfs/dbraw/zinc/09/29/36/323092936.db2.gz AXRAXGUTAIGODW-SNVBAGLBSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000563114820 323093251 /nfs/dbraw/zinc/09/32/51/323093251.db2.gz DMAQLVMMTPLMSS-ZYHUDNBSSA-N 2 0 235.331 0.930 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000563117588 323093331 /nfs/dbraw/zinc/09/33/31/323093331.db2.gz FAVZABMRBKZSSE-NWDGAFQWSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000563116564 323093345 /nfs/dbraw/zinc/09/33/45/323093345.db2.gz JFWBVAGWQHWYPV-DVVUODLYSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]([NH3+])C1CCC1 ZINC000563115750 323093432 /nfs/dbraw/zinc/09/34/32/323093432.db2.gz LSDBVLYQYNZEPL-HGNGGELXSA-N 2 0 211.309 0.062 20 0 BCADRP FC1(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000563135554 323094533 /nfs/dbraw/zinc/09/45/33/323094533.db2.gz MUDFTZVORSWNFJ-LLVKDONJSA-N 2 0 227.327 0.468 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC[C@]1(C)CC[NH2+]C1 ZINC000563135154 323094579 /nfs/dbraw/zinc/09/45/79/323094579.db2.gz IELLHICJVMKEMB-IJLUTSLNSA-N 2 0 211.353 0.574 20 0 BCADRP C[C@@H]1C[C@@H](NC[C@@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000563135575 323094651 /nfs/dbraw/zinc/09/46/51/323094651.db2.gz QREZUACTUNUMRS-WOPDTQHZSA-N 2 0 211.353 0.716 20 0 BCADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000563150661 323095569 /nfs/dbraw/zinc/09/55/69/323095569.db2.gz VDWFXAPOICNBEF-CYBMUJFWSA-N 3 0 240.395 0.095 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)NCCC[NH2+]C1CC1 ZINC000564571526 323095911 /nfs/dbraw/zinc/09/59/11/323095911.db2.gz LEWDYXVTRCJRPR-NSHDSACASA-N 2 0 225.336 0.387 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000567891962 323097105 /nfs/dbraw/zinc/09/71/05/323097105.db2.gz ASOISRZRRGSHEF-SDDRHHMPSA-N 3 0 211.353 0.655 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000563162146 323097880 /nfs/dbraw/zinc/09/78/80/323097880.db2.gz IMFSEFIPDCDYAG-FMSGJZPZSA-N 2 0 249.358 0.196 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC(C)(C)CCC[NH3+] ZINC000563163811 323098548 /nfs/dbraw/zinc/09/85/48/323098548.db2.gz YOESLXUIUUSTPJ-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000563164366 323099176 /nfs/dbraw/zinc/09/91/76/323099176.db2.gz MBIIKHHPTVPPQB-MDZLAQPJSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000563168736 323099779 /nfs/dbraw/zinc/09/97/79/323099779.db2.gz ABKRUXHWMDYCEX-NGZCFLSTSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000563209694 323101945 /nfs/dbraw/zinc/10/19/45/323101945.db2.gz WKMILBXVHYCZEJ-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000571046457 323105193 /nfs/dbraw/zinc/10/51/93/323105193.db2.gz JYHZYNGSPQDQKZ-GUBZILKMSA-N 2 0 225.336 0.228 20 0 BCADRP O=C(CC[NH2+]C1CC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000571060331 323106276 /nfs/dbraw/zinc/10/62/76/323106276.db2.gz LVAPZRXXAXVADZ-VIFPVBQESA-N 2 0 247.289 0.242 20 0 BCADRP C[C@H](C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)C1C[NH2+]C1 ZINC000564796854 323107124 /nfs/dbraw/zinc/10/71/24/323107124.db2.gz AYROFPSJXQVHAD-HOSYDEDBSA-N 2 0 239.363 0.476 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(O)COC)[C@@H](C)C1 ZINC000531711378 323111951 /nfs/dbraw/zinc/11/19/51/323111951.db2.gz VPRHVFXNIMMSFP-RWMBFGLXSA-N 2 0 244.379 0.704 20 0 BCADRP C[NH+](C)[C@H]1CN(CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000563366816 323121401 /nfs/dbraw/zinc/12/14/01/323121401.db2.gz XTPRYLMJLUCMNN-AVGNSLFASA-N 2 0 241.379 0.077 20 0 BCADRP C[NH2+]CC1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000563415639 323123499 /nfs/dbraw/zinc/12/34/99/323123499.db2.gz DQZNYUPXIFIKJP-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]C[C@H](C)CN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000563422115 323124137 /nfs/dbraw/zinc/12/41/37/323124137.db2.gz LDOJZFFPSLIDKS-SDDRHHMPSA-N 2 0 213.369 0.820 20 0 BCADRP C[NH2+]C[C@H](C)CN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000563422117 323124163 /nfs/dbraw/zinc/12/41/63/323124163.db2.gz LDOJZFFPSLIDKS-TUAOUCFPSA-N 2 0 213.369 0.820 20 0 BCADRP C[NH2+]C[C@H](C)CN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000563422116 323124186 /nfs/dbraw/zinc/12/41/86/323124186.db2.gz LDOJZFFPSLIDKS-SRVKXCTJSA-N 2 0 213.369 0.820 20 0 BCADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C1(C)CC1 ZINC000567375350 323124205 /nfs/dbraw/zinc/12/42/05/323124205.db2.gz UAWOMUISKRLKIL-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H](CC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000571084042 323134748 /nfs/dbraw/zinc/13/47/48/323134748.db2.gz ZNAHQKSSPRTDMG-NOOOWODRSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000571081963 323134983 /nfs/dbraw/zinc/13/49/83/323134983.db2.gz RYNQPDUQCIKHMI-RHYQMDGZSA-N 2 0 239.363 0.489 20 0 BCADRP CN(CC[NH3+])C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000571164336 323137003 /nfs/dbraw/zinc/13/70/03/323137003.db2.gz GAGPGOHVBQNNDU-UHFFFAOYSA-N 2 0 219.288 0.321 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000571298662 323140766 /nfs/dbraw/zinc/14/07/66/323140766.db2.gz XEXMKHRTJCGOGP-YFKTTZPYSA-N 2 0 211.353 0.986 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000161042539 323144729 /nfs/dbraw/zinc/14/47/29/323144729.db2.gz XEUJJHUGVQHZPJ-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000161071058 323145797 /nfs/dbraw/zinc/14/57/97/323145797.db2.gz CKFNOXUYXZICOX-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000571558344 323147933 /nfs/dbraw/zinc/14/79/33/323147933.db2.gz VYRIHFRNEKPDCW-NAKRPEOUSA-N 2 0 242.367 0.491 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000571653502 323151205 /nfs/dbraw/zinc/15/12/05/323151205.db2.gz SMSOIYZMAKFGPP-LPEHRKFASA-N 2 0 225.336 0.465 20 0 BCADRP C[C@@]1(CNC[C@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000414900551 323151932 /nfs/dbraw/zinc/15/19/32/323151932.db2.gz DWBYTMOKSKSADM-QWHCGFSZSA-N 2 0 225.380 0.965 20 0 BCADRP [NH3+]CCC[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000563718852 323175447 /nfs/dbraw/zinc/17/54/47/323175447.db2.gz ZRSRBYIFVKRKRK-JTQLQIEISA-N 2 0 221.308 0.312 20 0 BCADRP Cc1ncc(C[NH2+]CCCC(=O)N(C)C)n1C ZINC000563730923 323176441 /nfs/dbraw/zinc/17/64/41/323176441.db2.gz JXMOUQVPTRFTNZ-UHFFFAOYSA-N 2 0 238.335 0.687 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]([NH3+])C1)[C@@H]([NH3+])c1ccccc1 ZINC000152327501 323176521 /nfs/dbraw/zinc/17/65/21/323176521.db2.gz WFNAPAKLWLVHNH-KGYLQXTDSA-N 2 0 247.342 0.882 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)C[C@H]1CCC[NH2+]1 ZINC000563810178 323178495 /nfs/dbraw/zinc/17/84/95/323178495.db2.gz JJKFNICNOFGCPQ-GHMZBOCLSA-N 2 0 227.352 0.762 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)CC[NH3+] ZINC000308841437 323179977 /nfs/dbraw/zinc/17/99/77/323179977.db2.gz KGNDKIJVEXSDGS-YIZRAAEISA-N 2 0 201.314 0.213 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000563897341 323205543 /nfs/dbraw/zinc/20/55/43/323205543.db2.gz VQRCPRZNNHTIRO-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[NH2+]CC1)[C@@H](C)[NH3+] ZINC000399408263 323205857 /nfs/dbraw/zinc/20/58/57/323205857.db2.gz CUAYJRLUOLYHQK-NXEZZACHSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCCN1CCOCC1 ZINC000565155129 323319872 /nfs/dbraw/zinc/31/98/72/323319872.db2.gz CPPOTINEAVZSFA-CHWSQXEVSA-N 2 0 241.379 0.520 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000571677253 323324944 /nfs/dbraw/zinc/32/49/44/323324944.db2.gz VUPPNBFVGAMTEG-AXFHLTTASA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC2CC[NH2+]CC2)C1 ZINC000563945771 323330212 /nfs/dbraw/zinc/33/02/12/323330212.db2.gz NQPDUXFCDVNVBZ-PWSUYJOCSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000309378915 323349165 /nfs/dbraw/zinc/34/91/65/323349165.db2.gz DAONRQACXGZRSJ-MRVPVSSYSA-N 2 0 213.325 0.310 20 0 BCADRP Cn1ccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)n1 ZINC000309257955 323332904 /nfs/dbraw/zinc/33/29/04/323332904.db2.gz GZZANNPBDJACLM-CMPLNLGQSA-N 2 0 220.320 0.604 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)CC(F)(F)CN)CC[N@@H+]1C ZINC000563968688 323335352 /nfs/dbraw/zinc/33/53/52/323335352.db2.gz NLUBNVULLMMQND-IUCAKERBSA-N 2 0 249.305 0.569 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000571679587 323344338 /nfs/dbraw/zinc/34/43/38/323344338.db2.gz NZJNVJUMYONJQE-GARJFASQSA-N 2 0 227.352 0.285 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000309408439 323381173 /nfs/dbraw/zinc/38/11/73/323381173.db2.gz IEUULKQSKANFNL-BDAKNGLRSA-N 2 0 231.365 0.017 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418400664 323391749 /nfs/dbraw/zinc/39/17/49/323391749.db2.gz MMVKLUKRZPJABX-WDEREUQCSA-N 2 0 242.367 0.396 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000309623128 323436927 /nfs/dbraw/zinc/43/69/27/323436927.db2.gz IDYPAZJOSUSYBJ-ONGXEEELSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000309493763 323416996 /nfs/dbraw/zinc/41/69/96/323416996.db2.gz STOTVLLCUFBSEN-NXEZZACHSA-N 2 0 215.341 0.476 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)CC[NH2+]C1CC1 ZINC000571819484 323485956 /nfs/dbraw/zinc/48/59/56/323485956.db2.gz BAHJZRGMOULQJC-UHFFFAOYSA-N 2 0 227.352 0.762 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000571894646 323500925 /nfs/dbraw/zinc/50/09/25/323500925.db2.gz LGKYPOJPCOFXQF-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]CCC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000572155987 323554126 /nfs/dbraw/zinc/55/41/26/323554126.db2.gz ZVRAXPNNDYHTDB-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000572347485 323603816 /nfs/dbraw/zinc/60/38/16/323603816.db2.gz YHHKVNSQSBMMFC-MNOVXSKESA-N 2 0 227.352 0.762 20 0 BCADRP CCC(CC)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000514783633 324112676 /nfs/dbraw/zinc/11/26/76/324112676.db2.gz LNWXHDYMIUTAAF-NSHDSACASA-N 2 0 242.367 0.459 20 0 BCADRP COCCOC[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000572497115 324133906 /nfs/dbraw/zinc/13/39/06/324133906.db2.gz BZAZYVOBCBQIMJ-TUAOUCFPSA-N 2 0 230.352 0.897 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000572525794 324190203 /nfs/dbraw/zinc/19/02/03/324190203.db2.gz SNNVCGSPYDALHU-GFCCVEGCSA-N 2 0 241.379 0.949 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529347328 324277664 /nfs/dbraw/zinc/27/76/64/324277664.db2.gz CGYYQYVTIQVDLM-UWVGGRQHSA-N 2 0 240.351 0.260 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000529344368 324277769 /nfs/dbraw/zinc/27/77/69/324277769.db2.gz XZUSCIMLSBMSTI-WDEREUQCSA-N 2 0 242.367 0.363 20 0 BCADRP [NH3+]CCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530243670 324554687 /nfs/dbraw/zinc/55/46/87/324554687.db2.gz YREKAOXADWTEJH-CYBMUJFWSA-N 3 0 241.379 0.426 20 0 BCADRP CN(CC[NH+]1CCCCC1)C(=O)C(C)(C)[NH3+] ZINC000083907430 487964107 /nfs/dbraw/zinc/96/41/07/487964107.db2.gz YOGMDOYLUXGAFJ-UHFFFAOYSA-N 2 0 227.352 0.668 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH3+])C1 ZINC000083913536 487964802 /nfs/dbraw/zinc/96/48/02/487964802.db2.gz TWFQFRQWHHGTFX-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH3+])C1 ZINC000083913555 487964822 /nfs/dbraw/zinc/96/48/22/487964822.db2.gz PONUEABQBSHYSK-VIFPVBQESA-N 2 0 227.352 0.713 20 0 BCADRP C[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000083913571 487966236 /nfs/dbraw/zinc/96/62/36/487966236.db2.gz RUPBKKZHPWDJAC-SECBINFHSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@@H](C(=O)NCC[NH+](C)C)[NH+](C)C ZINC000131279705 325133234 /nfs/dbraw/zinc/13/32/34/325133234.db2.gz RBJZZCPWWBLCQW-VIFPVBQESA-N 2 0 201.314 0.004 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000131847671 325186628 /nfs/dbraw/zinc/18/66/28/325186628.db2.gz UBBOJDAZXFOGOS-AXFHLTTASA-N 2 0 225.336 0.337 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000132911442 325252873 /nfs/dbraw/zinc/25/28/73/325252873.db2.gz STCNJOBUEJXWHN-GRYCIOLGSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000249067641 325635580 /nfs/dbraw/zinc/63/55/80/325635580.db2.gz PYGOKIUZZHUHMW-CHWFTXMASA-N 2 0 227.352 0.556 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H](C)[NH+](C)C ZINC000122222093 487969258 /nfs/dbraw/zinc/96/92/58/487969258.db2.gz BBRKQSXHSYEQAX-GARJFASQSA-N 2 0 227.352 0.665 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000564836117 325814114 /nfs/dbraw/zinc/81/41/14/325814114.db2.gz DOKXOOILKCUZBD-MWLCHTKSSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)c1coc(C[NH3+])c1 ZINC000564957260 325833779 /nfs/dbraw/zinc/83/37/79/325833779.db2.gz JLOUYWJWCIXQMT-MRVPVSSYSA-N 2 0 211.265 0.205 20 0 BCADRP CC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158638973 487969782 /nfs/dbraw/zinc/96/97/82/487969782.db2.gz JLIZYVNVYCTDJS-GMTAPVOTSA-N 2 0 200.326 0.830 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000564992752 325842310 /nfs/dbraw/zinc/84/23/10/325842310.db2.gz SUEKQZVOZUQFPW-ADEWGFFLSA-N 2 0 233.315 0.205 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1csc(CC[NH3+])n1 ZINC000564995746 325843065 /nfs/dbraw/zinc/84/30/65/325843065.db2.gz NQOFBHKLZCJZTO-BQBZGAKWSA-N 2 0 242.348 0.110 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)CC1CC[NH2+]CC1 ZINC000565000857 325844415 /nfs/dbraw/zinc/84/44/15/325844415.db2.gz HXNLMHKORYOBHR-UHFFFAOYSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C1(C[NH3+])CCCC1 ZINC000565003755 325845011 /nfs/dbraw/zinc/84/50/11/325845011.db2.gz ZSVPSINSOGYCAX-VHSXEESVSA-N 2 0 227.352 0.748 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000565302087 325893839 /nfs/dbraw/zinc/89/38/39/325893839.db2.gz AZMBHACZJBWVJG-LLVKDONJSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000565658740 325939424 /nfs/dbraw/zinc/93/94/24/325939424.db2.gz QSIDNHFVPLMJLV-WCQYABFASA-N 3 0 225.380 0.964 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000566194661 326010819 /nfs/dbraw/zinc/01/08/19/326010819.db2.gz DWOIOFHZZMDZPP-JTQLQIEISA-N 2 0 239.363 0.572 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000566198135 326011271 /nfs/dbraw/zinc/01/12/71/326011271.db2.gz ZKGGNAZBMUPWBB-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000566198136 326011319 /nfs/dbraw/zinc/01/13/19/326011319.db2.gz ZKGGNAZBMUPWBB-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)c1ccnc(C[NH3+])c1 ZINC000566200479 326012075 /nfs/dbraw/zinc/01/20/75/326012075.db2.gz WTYGUADJCUUPTK-GFCCVEGCSA-N 2 0 248.330 0.364 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000566205893 326013142 /nfs/dbraw/zinc/01/31/42/326013142.db2.gz LERXDNPXPTUPAO-WRWGMCAJSA-N 2 0 237.347 0.052 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000566207625 326013817 /nfs/dbraw/zinc/01/38/17/326013817.db2.gz FHSKYVFKPNVNPY-BBBLOLIVSA-N 2 0 245.392 0.263 20 0 BCADRP CN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@H](C[NH3+])C1CC1 ZINC000566212888 326014335 /nfs/dbraw/zinc/01/43/35/326014335.db2.gz ICVSQUOLUDEPIX-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000566212052 326014408 /nfs/dbraw/zinc/01/44/08/326014408.db2.gz PVKDYFRHYHECOJ-OPRDCNLKSA-N 2 0 213.325 0.025 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000566215138 326015692 /nfs/dbraw/zinc/01/56/92/326015692.db2.gz WEOUACCDWKJDLS-XHNCKOQMSA-N 2 0 201.314 0.226 20 0 BCADRP CC[C@H](O)C[NH2+]C[C@H]1CCCCN1CCO ZINC000566230652 326019017 /nfs/dbraw/zinc/01/90/17/326019017.db2.gz AJSDQUQLBFGKRN-NEPJUHHUSA-N 2 0 230.352 0.194 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000566248950 326024307 /nfs/dbraw/zinc/02/43/07/326024307.db2.gz MMJZIRYQLNZIOJ-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566250899 326024581 /nfs/dbraw/zinc/02/45/81/326024581.db2.gz HWWHZGJQKVJISN-TXEJJXNPSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1([NH3+])CCCCC1 ZINC000566258530 326025599 /nfs/dbraw/zinc/02/55/99/326025599.db2.gz WGUHGVSYDBTTJQ-NXEZZACHSA-N 2 0 227.352 0.890 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000566287903 326029245 /nfs/dbraw/zinc/02/92/45/326029245.db2.gz UDSJKJMRENYTRB-PHIMTYICSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]CCC1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000566406149 326038670 /nfs/dbraw/zinc/03/86/70/326038670.db2.gz IEJSKEHQHBKPDS-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566471369 326052549 /nfs/dbraw/zinc/05/25/49/326052549.db2.gz UQURENSWUQOONG-JQWIXIFHSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(C)(C)C[NH3+] ZINC000566562560 326064146 /nfs/dbraw/zinc/06/41/46/326064146.db2.gz RAHHIBNORQKUHC-SFYZADRCSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(C)(C)C[NH3+] ZINC000566562558 326064300 /nfs/dbraw/zinc/06/43/00/326064300.db2.gz RAHHIBNORQKUHC-HTQZYQBOSA-N 2 0 201.314 0.213 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)CC[NH2+]C1CC1 ZINC000566572079 326065734 /nfs/dbraw/zinc/06/57/34/326065734.db2.gz OVKAKWYVPLUBPJ-GHMZBOCLSA-N 2 0 225.336 0.515 20 0 BCADRP [NH3+]Cc1cc(C(=O)NC[C@H]2CCC[NH2+]2)co1 ZINC000566676866 326072930 /nfs/dbraw/zinc/07/29/30/326072930.db2.gz KYNVRISOGMOWIL-SECBINFHSA-N 2 0 223.276 0.220 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000566794847 326082791 /nfs/dbraw/zinc/08/27/91/326082791.db2.gz GFMALQAUTAXZPG-OPRDCNLKSA-N 2 0 228.340 0.245 20 0 BCADRP C[C@]1(C(=O)N2CCC[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000566797208 326084015 /nfs/dbraw/zinc/08/40/15/326084015.db2.gz HLSPWAHTOGDJBC-ZYHUDNBSSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@]1(C(=O)NCC[C@H]2CC[NH2+]C2)CCC[NH2+]C1 ZINC000566855443 326088256 /nfs/dbraw/zinc/08/82/56/326088256.db2.gz DTFMQJXSCCRVTD-YPMHNXCESA-N 2 0 239.363 0.492 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC(CC[NH3+])CC1 ZINC000566862807 326089433 /nfs/dbraw/zinc/08/94/33/326089433.db2.gz YOZCBPGCBOTMFF-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP COC[C@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000566915620 326093994 /nfs/dbraw/zinc/09/39/94/326093994.db2.gz NTHAAHPEVDGFBR-UHTWSYAYSA-N 2 0 242.363 0.850 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@]34C[C@H]3CC[NH2+]4)C[C@H]21 ZINC000566968235 326097287 /nfs/dbraw/zinc/09/72/87/326097287.db2.gz LBUFBYZQNXBWRW-SKENRDBWSA-N 2 0 249.358 0.324 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000567031213 326103709 /nfs/dbraw/zinc/10/37/09/326103709.db2.gz OVOIBZDKYTWORG-PZWNZHSQSA-N 2 0 239.363 0.487 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1CCC[NH2+]C1 ZINC000567047690 326105961 /nfs/dbraw/zinc/10/59/61/326105961.db2.gz RPYAMHVRXDNBMO-VXGBXAGGSA-N 2 0 239.363 0.492 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]C3CC3)C2)C1 ZINC000567236015 326148344 /nfs/dbraw/zinc/14/83/44/326148344.db2.gz BEUXCFQSADDBAQ-HOSYDEDBSA-N 2 0 237.347 0.467 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000567236867 326148621 /nfs/dbraw/zinc/14/86/21/326148621.db2.gz SNRNSDLYUCDYMZ-BQBZGAKWSA-N 2 0 241.257 0.366 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000567261672 326152455 /nfs/dbraw/zinc/15/24/55/326152455.db2.gz DGVLSQDAZKCKRX-GHMZBOCLSA-N 2 0 241.379 0.770 20 0 BCADRP [NH3+]CC[C@H](NCC1CC[NH2+]CC1)C(F)(F)F ZINC000567269733 326154054 /nfs/dbraw/zinc/15/40/54/326154054.db2.gz UVHGOCMJDFVXSS-VIFPVBQESA-N 2 0 239.285 0.855 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000309823802 326170155 /nfs/dbraw/zinc/17/01/55/326170155.db2.gz WXGYTVHGTISKSD-KXUCPTDWSA-N 2 0 213.325 0.165 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000567366724 326175558 /nfs/dbraw/zinc/17/55/58/326175558.db2.gz IBHBMBSADATQAN-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000567469611 326198809 /nfs/dbraw/zinc/19/88/09/326198809.db2.gz PBMLGVJFVWNIMK-ZYHUDNBSSA-N 2 0 227.352 0.701 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N(C)CCC[NH3+] ZINC000567476982 326200931 /nfs/dbraw/zinc/20/09/31/326200931.db2.gz VEWJJKCXFPLWRP-LLVKDONJSA-N 2 0 244.383 0.707 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000567486316 326202414 /nfs/dbraw/zinc/20/24/14/326202414.db2.gz FQIFGDRNNCIIIW-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000567486315 326202561 /nfs/dbraw/zinc/20/25/61/326202561.db2.gz FQIFGDRNNCIIIW-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP COC[C@H](O)C[NH2+][C@H](C)C1=CC[N@H+](C)CC1 ZINC000567606570 326228038 /nfs/dbraw/zinc/22/80/38/326228038.db2.gz UMPITGKKBJTUAE-ZYHUDNBSSA-N 2 0 228.336 0.234 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000567611833 326228954 /nfs/dbraw/zinc/22/89/54/326228954.db2.gz ONVMZXNXJQZGCF-NEPJUHHUSA-N 2 0 237.347 0.410 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CC1(C[NH3+])CC1 ZINC000567669835 326242246 /nfs/dbraw/zinc/24/22/46/326242246.db2.gz PJKHZPOYVQPMII-NXEZZACHSA-N 2 0 225.336 0.311 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000567671931 326242675 /nfs/dbraw/zinc/24/26/75/326242675.db2.gz VSAQOVXPOJTCLI-PWSUYJOCSA-N 2 0 225.336 0.183 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000567813505 326262035 /nfs/dbraw/zinc/26/20/35/326262035.db2.gz FFAHTYCPGVKETN-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000567817531 326262337 /nfs/dbraw/zinc/26/23/37/326262337.db2.gz ZNFUABDLBQSMMN-FMSGJZPZSA-N 2 0 249.358 0.196 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000567820103 326263128 /nfs/dbraw/zinc/26/31/28/326263128.db2.gz FWCFRZOSSFQZJS-DCAQKATOSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000567823883 326263897 /nfs/dbraw/zinc/26/38/97/326263897.db2.gz TZEKIQWQPFLUHS-MWLCHTKSSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000567824728 326264459 /nfs/dbraw/zinc/26/44/59/326264459.db2.gz BOOYGPSAKDMQHZ-NXEZZACHSA-N 2 0 213.325 0.276 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000567831555 326265820 /nfs/dbraw/zinc/26/58/20/326265820.db2.gz POWMUEWWGSQYCF-JTQLQIEISA-N 2 0 221.304 0.540 20 0 BCADRP C[NH2+]CCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000567834618 326266154 /nfs/dbraw/zinc/26/61/54/326266154.db2.gz OIEUGFLLNSZSRR-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000567836103 326266657 /nfs/dbraw/zinc/26/66/57/326266657.db2.gz DPCGVZPVEPCZRI-XYPYZODXSA-N 2 0 227.352 0.477 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000567834829 326266775 /nfs/dbraw/zinc/26/67/75/326266775.db2.gz IECBNXRZCJOYAF-DCAQKATOSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](C)[NH3+] ZINC000567837289 326266911 /nfs/dbraw/zinc/26/69/11/326266911.db2.gz PGPKHKMDBMIIQY-KKOKHZNYSA-N 2 0 241.379 0.863 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](C)[NH3+] ZINC000567837288 326266936 /nfs/dbraw/zinc/26/69/36/326266936.db2.gz PGPKHKMDBMIIQY-DDHJBXDOSA-N 2 0 241.379 0.863 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)CCC[NH3+] ZINC000567848656 326269826 /nfs/dbraw/zinc/26/98/26/326269826.db2.gz YDBPCFLZGZNUNC-MXWKQRLJSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000567908780 326281553 /nfs/dbraw/zinc/28/15/53/326281553.db2.gz LMGYDWLBOHNZHV-AXFHLTTASA-N 2 0 225.336 0.357 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000567925608 326284184 /nfs/dbraw/zinc/28/41/84/326284184.db2.gz PDXAJSREPFPMBF-AEJSXWLSSA-N 2 0 245.392 0.324 20 0 BCADRP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC)[NH+](C)C ZINC000157774101 326295506 /nfs/dbraw/zinc/29/55/06/326295506.db2.gz MQWAQSMXWVGPHU-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)CC(F)(F)CN ZINC000568148191 326312841 /nfs/dbraw/zinc/31/28/41/326312841.db2.gz MSOAYGSQFQHMAF-QMMMGPOBSA-N 2 0 237.294 0.460 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](CO)[C@@H]2CCOC2)C1 ZINC000568248191 326334328 /nfs/dbraw/zinc/33/43/28/326334328.db2.gz JVNVFZWPBSUTCC-XQHKEYJVSA-N 2 0 242.363 0.491 20 0 BCADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000568381413 326351407 /nfs/dbraw/zinc/35/14/07/326351407.db2.gz JQXZRJDUXPJRGX-STQMWFEESA-N 2 0 243.395 0.731 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000568388989 326352749 /nfs/dbraw/zinc/35/27/49/326352749.db2.gz IHIWWCZDVMMYIP-SNVBAGLBSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]CCCC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000568390235 326353068 /nfs/dbraw/zinc/35/30/68/326353068.db2.gz ATDJJPUFTOCCKA-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)CCC[NH3+] ZINC000568390397 326353077 /nfs/dbraw/zinc/35/30/77/326353077.db2.gz LHNMFLUUIFEGJW-GUBZILKMSA-N 2 0 230.356 0.539 20 0 BCADRP CC[NH+](CC)CCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000568390575 326353230 /nfs/dbraw/zinc/35/32/30/326353230.db2.gz VTXMCLIBMXINHD-QWRGUYRKSA-N 2 0 244.383 0.753 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000568510541 326361422 /nfs/dbraw/zinc/36/14/22/326361422.db2.gz RAPBUKBDJMABEU-SCVCMEIPSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000568535169 326364538 /nfs/dbraw/zinc/36/45/38/326364538.db2.gz UBDTZVWGLRXCGA-OUAUKWLOSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000568626406 326368405 /nfs/dbraw/zinc/36/84/05/326368405.db2.gz DWIJEAHHIXUNPJ-GXFFZTMASA-N 2 0 247.342 0.584 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)c1coc(C[NH3+])c1 ZINC000568629665 326368965 /nfs/dbraw/zinc/36/89/65/326368965.db2.gz MTFMHTTZAJPIFI-GFCCVEGCSA-N 2 0 239.319 0.842 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000568629769 326369021 /nfs/dbraw/zinc/36/90/21/326369021.db2.gz RBRUZFJQNZXTOJ-WDEREUQCSA-N 2 0 227.352 0.844 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000568633843 326369852 /nfs/dbraw/zinc/36/98/52/326369852.db2.gz MYKOLFBFCBMSRH-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CC[NH+](C2CCC2)CC1 ZINC000568638874 326370242 /nfs/dbraw/zinc/37/02/42/326370242.db2.gz IVUBZNXPWQAUGO-ZDUSSCGKSA-N 2 0 241.379 0.127 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)C(C)(C)C[NH3+] ZINC000568748115 326374734 /nfs/dbraw/zinc/37/47/34/326374734.db2.gz BULKTJAGNDPKHE-QMMMGPOBSA-N 2 0 201.314 0.215 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000568760773 326375611 /nfs/dbraw/zinc/37/56/11/326375611.db2.gz BCUHXDJNNLQXNG-VLEAKVRGSA-N 2 0 227.352 0.474 20 0 BCADRP C[NH2+]CCC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000568863669 326379718 /nfs/dbraw/zinc/37/97/18/326379718.db2.gz QLPXREHTMFTHQV-UHFFFAOYSA-N 2 0 225.336 0.198 20 0 BCADRP CC1CC[NH+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000568887638 326381442 /nfs/dbraw/zinc/38/14/42/326381442.db2.gz ADMJVZLVKWDDEM-TXEJJXNPSA-N 2 0 239.363 0.572 20 0 BCADRP O=C(CC[NH2+]C1CC1)NC[C@H]1CCC[NH2+]C1 ZINC000568901051 326382345 /nfs/dbraw/zinc/38/23/45/326382345.db2.gz KWFXGXIUYAHVCS-JTQLQIEISA-N 2 0 225.336 0.244 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]([NH3+])CC(F)F ZINC000568987040 326385117 /nfs/dbraw/zinc/38/51/17/326385117.db2.gz WUWWXALSZZWTSH-ODXREFDESA-N 2 0 249.305 0.472 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C[NH2+]CC1CC1 ZINC000568998971 326385857 /nfs/dbraw/zinc/38/58/57/326385857.db2.gz LIPAHYSERSPGOI-ONGXEEELSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+][C@H](C)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000569001055 326385949 /nfs/dbraw/zinc/38/59/49/326385949.db2.gz RQEHUIFGXMSLJP-LLVKDONJSA-N 2 0 249.358 0.972 20 0 BCADRP C[C@H](NC(=O)C[NH2+]C1CC1)[C@H]1CCC[NH2+]C1 ZINC000569095023 326389462 /nfs/dbraw/zinc/38/94/62/326389462.db2.gz BSKJMHLWVJIFAH-UWVGGRQHSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+]CCNC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000569101411 326389920 /nfs/dbraw/zinc/38/99/20/326389920.db2.gz PZZXSRFEGSTHFM-LLVKDONJSA-N 2 0 221.304 0.021 20 0 BCADRP CSC[C@H](O)C[NH2+][C@H](C)C1=CC[N@H+](C)CC1 ZINC000569232716 326396427 /nfs/dbraw/zinc/39/64/27/326396427.db2.gz JSEZPZQBVPSFFV-ZYHUDNBSSA-N 2 0 244.404 0.950 20 0 BCADRP CSC[C@H](O)C[NH2+][C@@H](C)C1=CC[N@H+](C)CC1 ZINC000569232713 326396570 /nfs/dbraw/zinc/39/65/70/326396570.db2.gz JSEZPZQBVPSFFV-CMPLNLGQSA-N 2 0 244.404 0.950 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)COC1CCC([NH3+])CC1 ZINC000569240123 326397263 /nfs/dbraw/zinc/39/72/63/326397263.db2.gz HXIRHIGRPHEJOH-WHXUTIOJSA-N 2 0 243.351 0.126 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000572856599 326415563 /nfs/dbraw/zinc/41/55/63/326415563.db2.gz FAYIDMUQTUOODC-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000572856600 326415574 /nfs/dbraw/zinc/41/55/74/326415574.db2.gz FAYIDMUQTUOODC-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000572869431 326415998 /nfs/dbraw/zinc/41/59/98/326415998.db2.gz ZVEYMCDYUNQSQP-GRYCIOLGSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[C@H](C)[NH3+] ZINC000572877636 326416620 /nfs/dbraw/zinc/41/66/20/326416620.db2.gz QNMGXVCYYIIRGK-RHYQMDGZSA-N 2 0 241.379 0.802 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]([NH3+])CC(C)C ZINC000309507957 487979911 /nfs/dbraw/zinc/97/99/11/487979911.db2.gz WKSVHFQDMAEJGA-NXEZZACHSA-N 2 0 215.341 0.474 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000446399005 487980324 /nfs/dbraw/zinc/98/03/24/487980324.db2.gz SSOHFEROPGRBEQ-MMWGEVLESA-N 2 0 227.352 0.746 20 0 BCADRP C[C@@H]1CN(C(=O)CC2([NH3+])CCC2)C[C@@H](C)[NH2+]1 ZINC000154143544 487991721 /nfs/dbraw/zinc/99/17/21/487991721.db2.gz YQPUSDJPGSJRBT-NXEZZACHSA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)(O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228476518 488009415 /nfs/dbraw/zinc/00/94/15/488009415.db2.gz GDTXBXRXPAQOPM-HBNTYKKESA-N 2 0 212.337 0.817 20 0 BCADRP CC[NH+](CC)CCC[NH2+][C@H]1CCCNC(=O)C1 ZINC000111825266 488012517 /nfs/dbraw/zinc/01/25/17/488012517.db2.gz VXUJEPCUSHSTQM-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP [NH3+]CCC[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000135257737 488022855 /nfs/dbraw/zinc/02/28/55/488022855.db2.gz KBMSOYZXOGSMDM-UHFFFAOYSA-N 2 0 236.315 0.939 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000165603074 488028355 /nfs/dbraw/zinc/02/83/55/488028355.db2.gz OLAQUEAYHGUHHC-NEPJUHHUSA-N 2 0 241.379 0.816 20 0 BCADRP C[NH2+][C@@H](C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000655447220 488036201 /nfs/dbraw/zinc/03/62/01/488036201.db2.gz MZQWLSOTTLESIT-VIFPVBQESA-N 2 0 245.286 0.814 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000084217011 488037649 /nfs/dbraw/zinc/03/76/49/488037649.db2.gz YBKRNRHRLUBTFB-OUAUKWLOSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000084217004 488037708 /nfs/dbraw/zinc/03/77/08/488037708.db2.gz YBKRNRHRLUBTFB-DCAQKATOSA-N 2 0 225.336 0.372 20 0 BCADRP CC1([NH3+])CC[NH+](CCN2CCOCC2)CC1 ZINC000222145188 488043919 /nfs/dbraw/zinc/04/39/19/488043919.db2.gz JUVNOVPAXBWMHE-UHFFFAOYSA-N 2 0 227.352 0.132 20 0 BCADRP CC(C)C[C@@H]([NH3+])CNCC12CC(C1)C[NH2+]2 ZINC000663500043 488049860 /nfs/dbraw/zinc/04/98/60/488049860.db2.gz IJJBSENSENSEDY-MOENNCHZSA-N 2 0 211.353 0.701 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCNC2=O)C1 ZINC000656200904 488067540 /nfs/dbraw/zinc/06/75/40/488067540.db2.gz YIGINSCMARBBCU-AXFHLTTASA-N 2 0 225.336 0.372 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000257681647 488081189 /nfs/dbraw/zinc/08/11/89/488081189.db2.gz JGBLDGGDHUWYAA-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000236713979 488082737 /nfs/dbraw/zinc/08/27/37/488082737.db2.gz YQTZAQPAROLRFM-SNVBAGLBSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000236760383 488088384 /nfs/dbraw/zinc/08/83/84/488088384.db2.gz ZIJONGBQZACQHC-ZJUUUORDSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000257788012 488088802 /nfs/dbraw/zinc/08/88/02/488088802.db2.gz NEGDGLPVKZNIOG-CHWSQXEVSA-N 2 0 225.380 0.916 20 0 BCADRP CC(C)[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCN1 ZINC000257781798 488088948 /nfs/dbraw/zinc/08/89/48/488088948.db2.gz JIMHHWCVNHDMAY-CHWSQXEVSA-N 2 0 225.380 0.916 20 0 BCADRP C[N@@H+]1CC[C@@H](c2nc([C@H]3CCC[NH2+]3)no2)C1 ZINC000257902529 488091838 /nfs/dbraw/zinc/09/18/38/488091838.db2.gz DSYDGJAWSUGYPN-RKDXNWHRSA-N 2 0 222.292 0.913 20 0 BCADRP C(c1nc([C@H]2CCC[NH2+]2)no1)[C@H]1CC[NH2+]C1 ZINC000257930444 488092097 /nfs/dbraw/zinc/09/20/97/488092097.db2.gz HAGMZEPNYZZHOS-RKDXNWHRSA-N 2 0 222.292 0.646 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H](C)[NH+](C)C ZINC000236846637 488093538 /nfs/dbraw/zinc/09/35/38/488093538.db2.gz MTUXYRCWOKQNBN-UWVGGRQHSA-N 2 0 215.341 0.570 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CC2)C1 ZINC000389428793 488095675 /nfs/dbraw/zinc/09/56/75/488095675.db2.gz XNCPAYGUFAVWNL-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP COC[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000310538626 488099600 /nfs/dbraw/zinc/09/96/00/488099600.db2.gz QAIAEYHTPNIEDW-CHWSQXEVSA-N 2 0 244.379 0.656 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000237040288 488102195 /nfs/dbraw/zinc/10/21/95/488102195.db2.gz HLJXHHUUKVYNTP-DCAQKATOSA-N 2 0 227.352 0.618 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000389660586 488104786 /nfs/dbraw/zinc/10/47/86/488104786.db2.gz RNXDTKDTDJMACM-GFCCVEGCSA-N 2 0 239.363 0.729 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000389647348 488104491 /nfs/dbraw/zinc/10/44/91/488104491.db2.gz NAFPFLJLLPMJEW-WCQYABFASA-N 2 0 239.363 0.587 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000389692483 488105870 /nfs/dbraw/zinc/10/58/70/488105870.db2.gz AVIMBLONNBWYAJ-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000389692481 488105713 /nfs/dbraw/zinc/10/57/13/488105713.db2.gz AVIMBLONNBWYAJ-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000389683581 488105721 /nfs/dbraw/zinc/10/57/21/488105721.db2.gz YIXOTYYBXCSNGF-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000092951303 488105879 /nfs/dbraw/zinc/10/58/79/488105879.db2.gz UYGWUORBAUBOOA-ZYHUDNBSSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000092951141 488105948 /nfs/dbraw/zinc/10/59/48/488105948.db2.gz ZIFNHEGONCVPEO-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000389692479 488105998 /nfs/dbraw/zinc/10/59/98/488105998.db2.gz AVIMBLONNBWYAJ-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000389730809 488109442 /nfs/dbraw/zinc/10/94/42/488109442.db2.gz JQUFVOXHZGERBL-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@]1(C(=O)NC[C@H]2CCCC[NH2+]2)CCC[NH2+]1 ZINC000669509815 488110972 /nfs/dbraw/zinc/11/09/72/488110972.db2.gz YGAWFKABYXPZOL-PWSUYJOCSA-N 2 0 225.336 0.387 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[NH2+]C1CC1 ZINC000669510362 488112354 /nfs/dbraw/zinc/11/23/54/488112354.db2.gz PIVRRSPVJJAMOK-NSHDSACASA-N 2 0 241.379 0.879 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC[NH2+]C1CC1 ZINC000669510308 488112371 /nfs/dbraw/zinc/11/23/71/488112371.db2.gz BMFVHVGEAMOWPL-SECBINFHSA-N 2 0 213.325 0.243 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)CC[NH2+]C(C)C)C1 ZINC000389815011 488113008 /nfs/dbraw/zinc/11/30/08/488113008.db2.gz RQPSTXXNBCIKRV-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000669511541 488115993 /nfs/dbraw/zinc/11/59/93/488115993.db2.gz YYFGBEFRGKFWDM-UWVGGRQHSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)N(C)CCC[NH3+])C1 ZINC000669512036 488116846 /nfs/dbraw/zinc/11/68/46/488116846.db2.gz SPAPTGQOMUANKX-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)N(C)CCC[NH3+])cc1 ZINC000669511753 488117217 /nfs/dbraw/zinc/11/72/17/488117217.db2.gz DNJAXJAEOPRYBL-GFCCVEGCSA-N 2 0 235.331 0.802 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C)CCC[NH3+] ZINC000669512022 488116977 /nfs/dbraw/zinc/11/69/77/488116977.db2.gz SEAQOBKYKJZHKF-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C[C@@H](C[NH3+])OC ZINC000232119489 488118301 /nfs/dbraw/zinc/11/83/01/488118301.db2.gz PHBQERNQYDSYGG-NSHDSACASA-N 2 0 245.367 0.150 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]CC1(C)C ZINC000669512431 488118576 /nfs/dbraw/zinc/11/85/76/488118576.db2.gz VBEORDCFWDLSNJ-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)CC1([NH3+])CCC1 ZINC000669512619 488119786 /nfs/dbraw/zinc/11/97/86/488119786.db2.gz OGFBDDXOJQCFOR-UHFFFAOYSA-N 2 0 227.352 0.701 20 0 BCADRP C[C@@H](CS(C)(=O)=O)[NH2+]CCC1(C[NH3+])CC1 ZINC000650745894 488119945 /nfs/dbraw/zinc/11/99/45/488119945.db2.gz QGDHCVCTKFBSKH-VIFPVBQESA-N 2 0 234.365 0.138 20 0 BCADRP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000675783761 488123048 /nfs/dbraw/zinc/12/30/48/488123048.db2.gz AADBLRRBXKQZRJ-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC[NH2+]1 ZINC000669514698 488123848 /nfs/dbraw/zinc/12/38/48/488123848.db2.gz ADNCHCLYEQZWFQ-HBNTYKKESA-N 2 0 227.352 0.426 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000669514764 488124194 /nfs/dbraw/zinc/12/41/94/488124194.db2.gz GMFDGURZHWQGAM-GHMZBOCLSA-N 2 0 227.352 0.298 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000669514515 488124002 /nfs/dbraw/zinc/12/40/02/488124002.db2.gz KDBANWFYXXFTFJ-WDEREUQCSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000669514901 488124057 /nfs/dbraw/zinc/12/40/57/488124057.db2.gz QDZOEDALJYDWAQ-WDEREUQCSA-N 2 0 227.352 0.761 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000669516186 488125919 /nfs/dbraw/zinc/12/59/19/488125919.db2.gz WVMZAZNGJPUKLO-KKOKHZNYSA-N 2 0 241.379 0.946 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000258652633 488126382 /nfs/dbraw/zinc/12/63/82/488126382.db2.gz SHPXGBQOGZDBHI-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H](C)[NH3+] ZINC000669517739 488129608 /nfs/dbraw/zinc/12/96/08/488129608.db2.gz JSXVIVMFPOWUGJ-IUCAKERBSA-N 2 0 215.341 0.474 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CC[NH2+]C(C)C ZINC000669518377 488131143 /nfs/dbraw/zinc/13/11/43/488131143.db2.gz UVCZNWNKNGKVBF-QWRGUYRKSA-N 2 0 245.342 0.533 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCC[NH2+]C2CC2)C1 ZINC000237968421 487539420 /nfs/dbraw/zinc/53/94/20/487539420.db2.gz HYFFCCDBBNJIQY-NXEZZACHSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000382373176 487540634 /nfs/dbraw/zinc/54/06/34/487540634.db2.gz HDJUSLNDZGYGGB-KXUCPTDWSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000674265067 487542797 /nfs/dbraw/zinc/54/27/97/487542797.db2.gz MYGLKAZTIPWQIC-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000674265064 487542948 /nfs/dbraw/zinc/54/29/48/487542948.db2.gz MYGLKAZTIPWQIC-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP c1cn(C[C@@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)nn1 ZINC000662297040 487543388 /nfs/dbraw/zinc/54/33/88/487543388.db2.gz YIAJXGQXLJIFQT-NWDGAFQWSA-N 2 0 235.335 0.210 20 0 BCADRP CN(C[C@H]1CC[NH2+]C1)C[C@@H]1CCC[N@@H+]1C ZINC000220938160 487544966 /nfs/dbraw/zinc/54/49/66/487544966.db2.gz WVWUAEAWLQNHQH-RYUDHWBXSA-N 2 0 211.353 0.622 20 0 BCADRP [NH3+]CC1(C(=O)NC[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000238006713 487548020 /nfs/dbraw/zinc/54/80/20/487548020.db2.gz YWSAHNNJUSJYAZ-NSHDSACASA-N 2 0 239.363 0.764 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H](C)[NH+](C)C ZINC000674288990 487549772 /nfs/dbraw/zinc/54/97/72/487549772.db2.gz UWWMTHOXFXQFLU-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP C[N@H+](CCCn1ccnc1)C[C@H]1CC[NH2+]C1 ZINC000382755724 487550212 /nfs/dbraw/zinc/55/02/12/487550212.db2.gz NFBRNKNJMGOHLK-LBPRGKRZSA-N 2 0 222.336 0.815 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000674289237 487550654 /nfs/dbraw/zinc/55/06/54/487550654.db2.gz BUFRFAXMVHZXLK-NWDGAFQWSA-N 2 0 241.379 0.737 20 0 BCADRP C[C@H](NC(=O)[C@H](C)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000674289778 487550584 /nfs/dbraw/zinc/55/05/84/487550584.db2.gz RGKXRQNHMHLKJU-QWRGUYRKSA-N 2 0 241.379 0.783 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000382111720 487531612 /nfs/dbraw/zinc/53/16/12/487531612.db2.gz KRFZDQQURZYQJE-IVZWLZJFSA-N 2 0 211.309 0.064 20 0 BCADRP C[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)[NH+](C)C ZINC000674243683 487532301 /nfs/dbraw/zinc/53/23/01/487532301.db2.gz QHPOTFOOYZKIOV-JTQLQIEISA-N 2 0 229.368 0.641 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000669519858 488134823 /nfs/dbraw/zinc/13/48/23/488134823.db2.gz VDQUTBGITCOURL-WDEREUQCSA-N 2 0 229.368 0.994 20 0 BCADRP C[C@@H](O)C[N@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000086703858 487532913 /nfs/dbraw/zinc/53/29/13/487532913.db2.gz QBIQQALFSQRQDT-SNVBAGLBSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)[NH+]1CCCC1 ZINC000161092859 487476079 /nfs/dbraw/zinc/47/60/79/487476079.db2.gz FDBSLTYBBUONEK-AAEUAGOBSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@@H]1C[NH2+]CCO1 ZINC000662236175 487470866 /nfs/dbraw/zinc/47/08/66/487470866.db2.gz VAGSTUBRHJYTSU-SRVKXCTJSA-N 2 0 227.352 0.177 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000237438806 487471647 /nfs/dbraw/zinc/47/16/47/487471647.db2.gz RIAGQNPMJIUTBD-ZJUUUORDSA-N 2 0 239.363 0.855 20 0 BCADRP CC[C@@H]1CN(C(=O)CC[NH2+]C2CC2)CC[C@@H]1[NH3+] ZINC000655458611 487472037 /nfs/dbraw/zinc/47/20/37/487472037.db2.gz SGZNPOYVNFILIE-PWSUYJOCSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[N@H+](C)CC(=O)NCCC1CC[NH2+]CC1 ZINC000653272088 487473328 /nfs/dbraw/zinc/47/33/28/487473328.db2.gz YPVNNIFCERKFFP-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)[NH+]1CCCCCC1 ZINC000237468869 487474143 /nfs/dbraw/zinc/47/41/43/487474143.db2.gz KDKMAJQKHGVSEF-NWDGAFQWSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000161058981 487474709 /nfs/dbraw/zinc/47/47/09/487474709.db2.gz POXLCETXECKHNO-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@H]1CN(C(=O)C[NH+](C)C)CC[C@H]1[NH3+] ZINC000167999460 487477145 /nfs/dbraw/zinc/47/71/45/487477145.db2.gz KTHCOPCXNRWLII-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@]1(C(=O)NCC[NH2+]C2CC2)CCC[NH2+]C1 ZINC000237497627 487478225 /nfs/dbraw/zinc/47/82/25/487478225.db2.gz WIUARDCUHAARTP-GFCCVEGCSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@@H](C[N@H+](C)C[C@H](O)C[NH3+])C(C)(C)C ZINC000399484599 487486467 /nfs/dbraw/zinc/48/64/67/487486467.db2.gz DADCJTVNAQCXIC-VHSXEESVSA-N 2 0 202.342 0.920 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000086271495 487493361 /nfs/dbraw/zinc/49/33/61/487493361.db2.gz KRZNIQOLKGCAMM-HBNTYKKESA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C[NH3+])[NH+](C)C ZINC000237611885 487493338 /nfs/dbraw/zinc/49/33/38/487493338.db2.gz CSEPHAPVRWZUGK-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[NH+](C)C ZINC000237611732 487493419 /nfs/dbraw/zinc/49/34/19/487493419.db2.gz CSEPHAPVRWZUGK-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]1C[C@H](NC(=O)CC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000237637723 487497355 /nfs/dbraw/zinc/49/73/55/487497355.db2.gz RIAGQNPMJIUTBD-UWVGGRQHSA-N 2 0 239.363 0.855 20 0 BCADRP C[C@H]1CCCN(C(=O)CC2([NH3+])CCC2)[C@@H]1C[NH3+] ZINC000237683264 487499893 /nfs/dbraw/zinc/49/98/93/487499893.db2.gz BBYIWSCFBJESBO-WDEREUQCSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@H](O)C[NH2+]CCC[NH+]1CCCCC1 ZINC000666117479 487500238 /nfs/dbraw/zinc/50/02/38/487500238.db2.gz GJWJLSMCQCNSQU-NSHDSACASA-N 2 0 200.326 0.833 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000381244343 487503250 /nfs/dbraw/zinc/50/32/50/487503250.db2.gz NWLSOILLTIKIDW-KXUCPTDWSA-N 2 0 211.309 0.077 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)OC ZINC000662266625 487503946 /nfs/dbraw/zinc/50/39/46/487503946.db2.gz NREQEQKXPSXYIA-MXWKQRLJSA-N 2 0 216.325 0.317 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161613909 487506693 /nfs/dbraw/zinc/50/66/93/487506693.db2.gz HYYDXOKBEDWKJX-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C)OC ZINC000300366936 487510957 /nfs/dbraw/zinc/51/09/57/487510957.db2.gz HNJBGWCCWDETKE-MXWKQRLJSA-N 2 0 216.325 0.459 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)NCC[NH+]1CCC(C)CC1 ZINC000669303696 487507590 /nfs/dbraw/zinc/50/75/90/487507590.db2.gz GZNMFRROCXYEQI-LLVKDONJSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CC1([NH3+])CCC1 ZINC000237336613 488149832 /nfs/dbraw/zinc/14/98/32/488149832.db2.gz MSXNVWXNGZVWKO-MNOVXSKESA-N 2 0 239.363 0.986 20 0 BCADRP C[C@H]1CCN(C(=O)CC2([NH3+])CCC2)C[C@H]1C[NH3+] ZINC000669521524 488154829 /nfs/dbraw/zinc/15/48/29/488154829.db2.gz ZKRUVUWJOWDXQV-WDEREUQCSA-N 2 0 239.363 0.701 20 0 BCADRP [NH3+]C1(CC(=O)NC[C@@H]2CCC[NH2+]C2)CCC1 ZINC000237813602 488156784 /nfs/dbraw/zinc/15/67/84/488156784.db2.gz BCHXRHCLLOTZKF-SNVBAGLBSA-N 2 0 225.336 0.374 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000237921582 487534020 /nfs/dbraw/zinc/53/40/20/487534020.db2.gz WNXUROZYMHEJQE-OUAUKWLOSA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)(O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000379949546 488163930 /nfs/dbraw/zinc/16/39/30/488163930.db2.gz DRUHYDSCEGRASJ-JQWIXIFHSA-N 2 0 212.337 0.818 20 0 BCADRP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCC1 ZINC000662256674 490041992 /nfs/dbraw/zinc/04/19/92/490041992.db2.gz XXJOUNGSPKIBLI-LLVKDONJSA-N 2 0 210.321 0.992 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)NC/C=C/C[NH3+] ZINC000669574038 487558974 /nfs/dbraw/zinc/55/89/74/487558974.db2.gz ZYPBHMUVENPQLK-XUIVZRPNSA-N 2 0 242.367 0.531 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C1([NH+](C)C)CC1 ZINC000668301517 487635691 /nfs/dbraw/zinc/63/56/91/487635691.db2.gz LWCXVTPDHBKKNM-UHFFFAOYSA-N 2 0 241.379 0.881 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@@H](C)[NH2+]1 ZINC000153269628 487640884 /nfs/dbraw/zinc/64/08/84/487640884.db2.gz HBIJUAJYHMBJBD-DBIOUOCHSA-N 2 0 225.336 0.323 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000082771604 487728238 /nfs/dbraw/zinc/72/82/38/487728238.db2.gz UEFDBVIOKOKDBV-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CC[N@H+](CC(=O)N[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000676718979 487905445 /nfs/dbraw/zinc/90/54/45/487905445.db2.gz FXBNPWPPPYZNOV-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)C1CC1 ZINC000655451739 488059705 /nfs/dbraw/zinc/05/97/05/488059705.db2.gz ODXGVSFBLPMSGJ-LOWVWBTDSA-N 2 0 237.347 0.230 20 0 BCADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCOC1 ZINC000657573709 488136764 /nfs/dbraw/zinc/13/67/64/488136764.db2.gz PJZFRYYEBITTNU-STQMWFEESA-N 2 0 243.395 0.637 20 0 BCADRP O[C@@H](C[NH2+]C[C@@H]1CC[C@@H](O)C1)C[NH+]1CCCC1 ZINC000227689524 488138844 /nfs/dbraw/zinc/13/88/44/488138844.db2.gz DMRLJKQTDKEFHC-UPJWGTAASA-N 2 0 242.363 0.194 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000230711196 488141229 /nfs/dbraw/zinc/14/12/29/488141229.db2.gz IIYGUCSXMOMGTR-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP CC(C)[NH+](CCNC(=O)COCC[NH3+])C(C)C ZINC000093230442 488144431 /nfs/dbraw/zinc/14/44/31/488144431.db2.gz COGQVTQDGUOJRW-UHFFFAOYSA-N 2 0 245.367 0.197 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H](C)[NH+](C)C ZINC000236696843 488146931 /nfs/dbraw/zinc/14/69/31/488146931.db2.gz SRIBIJPUNXDLAD-CMPLNLGQSA-N 2 0 229.368 0.816 20 0 BCADRP CN(C(=O)CC1([NH3+])CCC1)[C@H](C[NH3+])C1CC1 ZINC000669521203 488149657 /nfs/dbraw/zinc/14/96/57/488149657.db2.gz PRCOSLKKXKPECO-SNVBAGLBSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000237407627 488155231 /nfs/dbraw/zinc/15/52/31/488155231.db2.gz JQQYMYMGFSBANL-QWRGUYRKSA-N 2 0 239.363 0.844 20 0 BCADRP CCn1cc(C[NH2+][C@H](C)CCCC[NH3+])nn1 ZINC000404412876 488156436 /nfs/dbraw/zinc/15/64/36/488156436.db2.gz ARBXLIQNHOAQSU-SNVBAGLBSA-N 2 0 225.340 0.905 20 0 BCADRP Cn1nccc1CC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000230774511 488156577 /nfs/dbraw/zinc/15/65/77/488156577.db2.gz XMIARCTWOMDDOW-JTQLQIEISA-N 2 0 208.309 0.243 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085356979 488162944 /nfs/dbraw/zinc/16/29/44/488162944.db2.gz HGZJDUZSGMQYCK-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085358896 488163717 /nfs/dbraw/zinc/16/37/17/488163717.db2.gz MIDVNYGQAPNGLR-NEPJUHHUSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000669524653 488164306 /nfs/dbraw/zinc/16/43/06/488164306.db2.gz NSVFLLLKXVILCQ-LPEHRKFASA-N 2 0 240.351 0.258 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC(=O)N1 ZINC000380044605 488169860 /nfs/dbraw/zinc/16/98/60/488169860.db2.gz VKZNJMFARHQURA-UWVGGRQHSA-N 2 0 213.325 0.372 20 0 BCADRP CC(C)[NH2+]CC(=O)NCCN1CCSCC1 ZINC000230937459 488174003 /nfs/dbraw/zinc/17/40/03/488174003.db2.gz DPUCEJMCBNBWJU-UHFFFAOYSA-N 2 0 245.392 0.149 20 0 BCADRP Cn1cnc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000400956622 488178683 /nfs/dbraw/zinc/17/86/83/488178683.db2.gz YVXIOHQQDOCLKX-FRRDWIJNSA-N 2 0 248.374 0.940 20 0 BCADRP Cc1ncc(CN2CC[C@H](n3cncn3)C2)n1C ZINC000668007728 488182758 /nfs/dbraw/zinc/18/27/58/488182758.db2.gz CLKSVYREUCXCCA-NSHDSACASA-N 2 0 246.318 0.767 20 0 BCADRP O=C(NCCC1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000167736946 488186395 /nfs/dbraw/zinc/18/63/95/488186395.db2.gz VBSZWYVBWJFFDH-LLVKDONJSA-N 2 0 225.336 0.244 20 0 BCADRP OC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000231306903 488196520 /nfs/dbraw/zinc/19/65/20/488196520.db2.gz HJKOATJCVRQAQD-XQQFMLRXSA-N 2 0 242.363 0.194 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322830116 488197020 /nfs/dbraw/zinc/19/70/20/488197020.db2.gz GEGJXZVHXZLNKE-OFLUOSHYSA-N 2 0 225.336 0.323 20 0 BCADRP C[N@@H+]1CCCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000398086839 488209493 /nfs/dbraw/zinc/20/94/93/488209493.db2.gz VJNLUTOTHYXCOC-UHFFFAOYSA-N 2 0 211.309 0.032 20 0 BCADRP C[N@H+](CCC1CCC1)CC(=O)N1CC[NH2+]CC1 ZINC000398622895 488220700 /nfs/dbraw/zinc/22/07/00/488220700.db2.gz GJKFANCOJJNDCS-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP CCN(CCO)CC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000684395033 488305112 /nfs/dbraw/zinc/30/51/12/488305112.db2.gz QKPGWAULEZASEG-OLZOCXBDSA-N 2 0 244.379 0.848 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659315746 490092078 /nfs/dbraw/zinc/09/20/78/490092078.db2.gz UDBMDCSZVQFCMQ-UWVGGRQHSA-N 2 0 237.347 0.596 20 0 BCADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)CC1([NH3+])CC1 ZINC000404931595 490131510 /nfs/dbraw/zinc/13/15/10/490131510.db2.gz MGBDSWYBTXSENB-NSHDSACASA-N 2 0 239.363 0.811 20 0 BCADRP CC(C)(C[NH3+])Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000404935977 490131722 /nfs/dbraw/zinc/13/17/22/490131722.db2.gz MMVNMLDTCYFACL-UHFFFAOYSA-N 2 0 237.351 0.730 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652323354 490187354 /nfs/dbraw/zinc/18/73/54/490187354.db2.gz FUIBCQIZCYSQTF-JTQLQIEISA-N 2 0 242.367 0.413 20 0 BCADRP CN(C(=O)CCC(C)(C)[NH3+])[C@H]1CC[NH2+]C1 ZINC000381471375 490191801 /nfs/dbraw/zinc/19/18/01/490191801.db2.gz ORRKKFUBBOTOPU-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+]C1CCC([NH2+]C[C@@H]2CCCCN2)CC1 ZINC000236203101 490192503 /nfs/dbraw/zinc/19/25/03/490192503.db2.gz WAEQMJVOAXDCFZ-MCIGGMRASA-N 2 0 211.353 0.988 20 0 BCADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1CCC[NH2+]CC1 ZINC000662922937 490208323 /nfs/dbraw/zinc/20/83/23/490208323.db2.gz GHJFNYBQRZSKTE-QWKFWESOSA-N 2 0 237.347 0.244 20 0 BCADRP C[C@@H](C(=O)NCC[NH+]1CCCC1)[NH+](C)C ZINC000078655357 490210967 /nfs/dbraw/zinc/21/09/67/490210967.db2.gz GNCSOQFHTDWXMK-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000584242199 490313376 /nfs/dbraw/zinc/31/33/76/490313376.db2.gz KVWZBSLIDLFEIX-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000653232635 490393702 /nfs/dbraw/zinc/39/37/02/490393702.db2.gz GLRSQOVRLCPKJW-KXUCPTDWSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000130673036 490443954 /nfs/dbraw/zinc/44/39/54/490443954.db2.gz ZWSRYWUTIITEOR-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP CC(=O)N[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000131006935 490467689 /nfs/dbraw/zinc/46/76/89/490467689.db2.gz TXMFKVOEKPZTEA-STQMWFEESA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCOCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000629531242 491078245 /nfs/dbraw/zinc/07/82/45/491078245.db2.gz FQDIUCCZCQCSOY-KBPBESRZSA-N 2 0 249.358 0.957 20 0 BCADRP C[NH+](C)C/C=C\C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000491849943 491080900 /nfs/dbraw/zinc/08/09/00/491080900.db2.gz XALZESZJGYBWOV-DLRQAJBASA-N 2 0 237.347 0.457 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652323327 491082643 /nfs/dbraw/zinc/08/26/43/491082643.db2.gz FFVRANRAYAZSFL-LLVKDONJSA-N 2 0 240.351 0.119 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H](C)C[NH3+])CC[C@H]1[NH3+] ZINC000381469692 491089582 /nfs/dbraw/zinc/08/95/82/491089582.db2.gz NUTDATUWDYFBHU-OPRDCNLKSA-N 2 0 213.325 0.167 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000662406949 491100163 /nfs/dbraw/zinc/10/01/63/491100163.db2.gz NTOJSKBBQLEWJT-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP [NH3+][C@@H](C(=O)NCC1([NH3+])CCCC1)C1CCC1 ZINC000662648133 491110219 /nfs/dbraw/zinc/11/02/19/491110219.db2.gz FIBOXHYSPHLMOW-SNVBAGLBSA-N 2 0 225.336 0.502 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662660106 491110960 /nfs/dbraw/zinc/11/09/60/491110960.db2.gz BRIBJTMYJMBQHG-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662660103 491110971 /nfs/dbraw/zinc/11/09/71/491110971.db2.gz BRIBJTMYJMBQHG-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000662823599 491115613 /nfs/dbraw/zinc/11/56/13/491115613.db2.gz UDCDQGHGSKKZCD-RKDXNWHRSA-N 2 0 201.314 0.226 20 0 BCADRP C[C@H](C(=O)NCC(F)(F)F)N(C)CCC[NH3+] ZINC000229331215 491119425 /nfs/dbraw/zinc/11/94/25/491119425.db2.gz REYAOYIGRWOHSJ-SSDOTTSWSA-N 2 0 241.257 0.334 20 0 BCADRP CCN1C[C@H]([NH2+][C@@H](C)CCCC[NH3+])CC1=O ZINC000391541588 491120551 /nfs/dbraw/zinc/12/05/51/491120551.db2.gz NMOIEWCFZYMEJR-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP CCN1C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])CC1=O ZINC000391541586 491120593 /nfs/dbraw/zinc/12/05/93/491120593.db2.gz NMOIEWCFZYMEJR-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+]CC1(CCNC(=O)CC2([NH3+])CCC2)CC1 ZINC000653215962 491128253 /nfs/dbraw/zinc/12/82/53/491128253.db2.gz LTKBHQOMDYDTBH-UHFFFAOYSA-N 2 0 225.336 0.503 20 0 BCADRP C[NH2+]CCC(=O)NCc1ccccc1C[NH2+]C ZINC000653214518 491128292 /nfs/dbraw/zinc/12/82/92/491128292.db2.gz YNOJAWKRFIHEBJ-UHFFFAOYSA-N 2 0 235.331 0.632 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NCCC1(C[NH3+])CC1 ZINC000653216436 491128415 /nfs/dbraw/zinc/12/84/15/491128415.db2.gz ZRFJBULHHJNBBG-SECBINFHSA-N 2 0 227.352 0.605 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C[NH2+]C1CC1 ZINC000049559749 491128794 /nfs/dbraw/zinc/12/87/94/491128794.db2.gz GOPBYVNAHXYAEP-VIFPVBQESA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C(C)(C)[NH3+] ZINC000049559623 491128796 /nfs/dbraw/zinc/12/87/96/491128796.db2.gz SIOYUDSPQMQQDG-QMMMGPOBSA-N 2 0 201.314 0.180 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559744 491128821 /nfs/dbraw/zinc/12/88/21/491128821.db2.gz ZHNUNLVBNOJWMU-NXEZZACHSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@@H]1C[NH3+] ZINC000131913073 491133892 /nfs/dbraw/zinc/13/38/92/491133892.db2.gz SIOFMJIRCJWSOJ-QJPTWQEYSA-N 2 0 239.363 0.572 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000644094834 491160536 /nfs/dbraw/zinc/16/05/36/491160536.db2.gz QVWMBHBDBAWSFZ-JTQLQIEISA-N 2 0 225.336 0.100 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000486909561 533901972 /nfs/dbraw/zinc/90/19/72/533901972.db2.gz GGWIHFYJGSBZLQ-WDEREUQCSA-N 2 0 225.336 0.006 20 0 BCADRP COC(=O)N1CC([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000496893456 533932915 /nfs/dbraw/zinc/93/29/15/533932915.db2.gz NJRPVGLYZFCSKL-GXSJLCMTSA-N 2 0 241.335 0.415 20 0 BCADRP COC(=O)N1CC([NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000496893457 533934517 /nfs/dbraw/zinc/93/45/17/533934517.db2.gz NJRPVGLYZFCSKL-KOLCDFICSA-N 2 0 241.335 0.415 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)NCCC(C)(C)[NH3+] ZINC000891449924 582689355 /nfs/dbraw/zinc/68/93/55/582689355.db2.gz CTCLNNBUYQBLPB-JTQLQIEISA-N 2 0 244.383 0.753 20 0 BCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)NCC[NH3+])C1 ZINC000891976866 582750786 /nfs/dbraw/zinc/75/07/86/582750786.db2.gz OSMLKBTYGYAPLE-VIFPVBQESA-N 2 0 228.340 0.023 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)NCC[NH3+])C1 ZINC000891976865 582751019 /nfs/dbraw/zinc/75/10/19/582751019.db2.gz OSMLKBTYGYAPLE-SECBINFHSA-N 2 0 228.340 0.023 20 0 BCADRP C[C@@H]1CN(C(=O)/C=C\C[NH+](C)C)C[C@H]1[NH+](C)C ZINC000491901816 534276236 /nfs/dbraw/zinc/27/62/36/534276236.db2.gz CHLPSBXIRHPMDK-UXFRKABBSA-N 2 0 239.363 0.513 20 0 BCADRP CC1(C)CC[C@@H](CNC(=O)NCCC[NH3+])[NH2+]C1 ZINC000891987104 582753574 /nfs/dbraw/zinc/75/35/74/582753574.db2.gz ZWDNWMYJSABTHL-JTQLQIEISA-N 2 0 242.367 0.413 20 0 BCADRP CC[NH2+]CCNC(=O)N(C)CCCCCC[NH3+] ZINC000891997066 582757115 /nfs/dbraw/zinc/75/71/15/582757115.db2.gz RFVJLPFQTPYYMQ-UHFFFAOYSA-N 2 0 244.383 0.756 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000892006570 582760406 /nfs/dbraw/zinc/76/04/06/582760406.db2.gz IYTDJYSXPNLIFX-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP CCC1([NH3+])CCN(C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000892044988 582772426 /nfs/dbraw/zinc/77/24/26/582772426.db2.gz QTTFOBBWLDHOQA-SNVBAGLBSA-N 2 0 242.367 0.494 20 0 BCADRP CCN(C(=O)NC[C@H]([NH3+])C1CC1)[C@@H]1CC[NH2+]C1 ZINC000892051105 582775280 /nfs/dbraw/zinc/77/52/80/582775280.db2.gz MWVBSECFKUCBKB-MNOVXSKESA-N 2 0 240.351 0.117 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892090142 582789025 /nfs/dbraw/zinc/78/90/25/582789025.db2.gz DPNJCGCJFAPJHH-HBNTYKKESA-N 2 0 240.351 0.117 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892135726 582798864 /nfs/dbraw/zinc/79/88/64/582798864.db2.gz VPVVJUMPFDPUMJ-GMTAPVOTSA-N 2 0 242.367 0.540 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892143386 582800192 /nfs/dbraw/zinc/80/01/92/582800192.db2.gz FHTIMVHVMSOHAK-DCAQKATOSA-N 2 0 240.351 0.260 20 0 BCADRP C[N@H+](CCCO)C[C@H]1CCC[NH+](C)C1 ZINC000259156326 536358349 /nfs/dbraw/zinc/35/83/49/536358349.db2.gz XTZMDMULZCOMQG-NSHDSACASA-N 2 0 200.326 0.642 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261666703 536399138 /nfs/dbraw/zinc/39/91/38/536399138.db2.gz GJZPYXQKYIFHDT-KKOKHZNYSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892455431 582891432 /nfs/dbraw/zinc/89/14/32/582891432.db2.gz BKMDPAJLXQWUSD-GRZMOONWSA-N 2 0 240.351 0.341 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000494681294 528495102 /nfs/dbraw/zinc/49/51/02/528495102.db2.gz KLFUMUDNVRYOQQ-GRYCIOLGSA-N 2 0 241.379 0.911 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000494709765 528497712 /nfs/dbraw/zinc/49/77/12/528497712.db2.gz OOJADTDXJXTTOW-NNYUYHANSA-N 2 0 239.363 0.556 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000494692932 528499935 /nfs/dbraw/zinc/49/99/35/528499935.db2.gz WGDRWWUYLKZHQC-JBLDHEPKSA-N 2 0 239.363 0.711 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000494649338 529249075 /nfs/dbraw/zinc/24/90/75/529249075.db2.gz MWSUXVFTWSHXQA-DCAQKATOSA-N 2 0 229.368 0.994 20 0 BCADRP CCC[N@@H+]1CC[C@H](CNC2=[NH+]CCCN2)C1 ZINC000261693640 534955534 /nfs/dbraw/zinc/95/55/34/534955534.db2.gz BPTKENIVIVJFSF-LLVKDONJSA-N 2 0 224.352 0.657 20 0 BCADRP CCCNC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252667278 535005361 /nfs/dbraw/zinc/00/53/61/535005361.db2.gz IANYMEOCBPTUNO-QWRGUYRKSA-N 2 0 240.351 0.374 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169027572 535057162 /nfs/dbraw/zinc/05/71/62/535057162.db2.gz WODLEYTUKVXNSW-WOPDTQHZSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000340082699 535075801 /nfs/dbraw/zinc/07/58/01/535075801.db2.gz OAANFDZEGBXUPH-OUAUKWLOSA-N 2 0 227.352 0.461 20 0 BCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CCC[NH3+])C1 ZINC000168724335 535130215 /nfs/dbraw/zinc/13/02/15/535130215.db2.gz CNRKVBWQFYTQAV-LBPRGKRZSA-N 2 0 241.379 0.819 20 0 BCADRP CC1(CNC(=O)[C@@]2(F)CC[NH2+]C2)CC[NH2+]CC1 ZINC000183367871 535146500 /nfs/dbraw/zinc/14/65/00/535146500.db2.gz VBHKIYYQIDIOHD-GFCCVEGCSA-N 2 0 243.326 0.194 20 0 BCADRP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000223646839 535160654 /nfs/dbraw/zinc/16/06/54/535160654.db2.gz ZSEGQNVXHALTGD-QJPTWQEYSA-N 2 0 214.353 0.933 20 0 BCADRP CC(C)([NH3+])C(=O)N1c2ccccc2C[C@H]1C[NH3+] ZINC000335570093 535195181 /nfs/dbraw/zinc/19/51/81/535195181.db2.gz ZIKYPQHKOKBDNK-JTQLQIEISA-N 2 0 233.315 0.640 20 0 BCADRP CCCN(C(=O)CCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000178408253 535200753 /nfs/dbraw/zinc/20/07/53/535200753.db2.gz RTICRHVQBWQUAN-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000261574575 535208146 /nfs/dbraw/zinc/20/81/46/535208146.db2.gz JILBOESVBQFCOV-IVZWLZJFSA-N 2 0 213.325 0.084 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000157274328 535212501 /nfs/dbraw/zinc/21/25/01/535212501.db2.gz VXSRHWAEVHNBIY-ZJUUUORDSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261956351 535307327 /nfs/dbraw/zinc/30/73/27/535307327.db2.gz IWMZGMRPBRSUEZ-DMDPSCGWSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000335720515 535315818 /nfs/dbraw/zinc/31/58/18/535315818.db2.gz XGFYHMPOYAITNJ-WCQYABFASA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351754215 535316413 /nfs/dbraw/zinc/31/64/13/535316413.db2.gz IMEJNBYVFHPDPJ-DCAQKATOSA-N 2 0 227.352 0.556 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[NH2+]C(C)(C)C1)[C@H](C)[NH3+] ZINC000335231299 535321723 /nfs/dbraw/zinc/32/17/23/535321723.db2.gz JBPAPPIPYILXPV-QWRGUYRKSA-N 2 0 241.379 0.816 20 0 BCADRP CC1(C)CN(C(=O)[C@@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000335627039 535341927 /nfs/dbraw/zinc/34/19/27/535341927.db2.gz PHDHPCHVKJUGEA-LBPRGKRZSA-N 2 0 247.342 0.897 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000335664093 535472396 /nfs/dbraw/zinc/47/23/96/535472396.db2.gz SMRUQSASIYSAEX-MFKMUULPSA-N 2 0 237.347 0.339 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@H]1CC ZINC000261548924 535474509 /nfs/dbraw/zinc/47/45/09/535474509.db2.gz OCFKYCMQGHVEDT-UWVGGRQHSA-N 2 0 213.325 0.100 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178520640 535492227 /nfs/dbraw/zinc/49/22/27/535492227.db2.gz NHDULAVZOPYNHX-JTQLQIEISA-N 2 0 213.325 0.135 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)[NH3+] ZINC000167326644 535506837 /nfs/dbraw/zinc/50/68/37/535506837.db2.gz BCJDSSFXBIFODY-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000262049711 535524324 /nfs/dbraw/zinc/52/43/24/535524324.db2.gz QDJDQJVXEGKKPI-ZYHUDNBSSA-N 2 0 227.352 0.714 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000261533184 535523558 /nfs/dbraw/zinc/52/35/58/535523558.db2.gz AWDQSDAOVFFHIH-MWLCHTKSSA-N 2 0 213.325 0.454 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000163845289 535565303 /nfs/dbraw/zinc/56/53/03/535565303.db2.gz JADMSRAGWPDHEP-CMPLNLGQSA-N 2 0 239.363 0.442 20 0 BCADRP CC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)[C@@H](C)C1 ZINC000334294524 535633891 /nfs/dbraw/zinc/63/38/91/535633891.db2.gz TZUHMBIEZXKSNG-NWDGAFQWSA-N 2 0 239.363 0.491 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC ZINC000261577838 535744266 /nfs/dbraw/zinc/74/42/66/535744266.db2.gz LLFCTMAUORXYPC-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000335678319 535759427 /nfs/dbraw/zinc/75/94/27/535759427.db2.gz YZGWJTUFLGNJFN-STQMWFEESA-N 2 0 239.363 0.716 20 0 BCADRP CCN1C[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H](C)C1 ZINC000349189144 535783980 /nfs/dbraw/zinc/78/39/80/535783980.db2.gz FEWZOYQLRVOSCX-STQMWFEESA-N 2 0 243.395 0.494 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000353168500 535925945 /nfs/dbraw/zinc/92/59/45/535925945.db2.gz JYQADJKLNPGRAD-DCAQKATOSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000335939360 535942478 /nfs/dbraw/zinc/94/24/78/535942478.db2.gz FLAFIJACXINVNH-RYUDHWBXSA-N 2 0 239.363 0.491 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179107635 535949680 /nfs/dbraw/zinc/94/96/80/535949680.db2.gz VCRPGQDGARYNCS-AEJSXWLSSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC([NH3+])(CC)CC ZINC000262660616 535951279 /nfs/dbraw/zinc/95/12/79/535951279.db2.gz ZAYAFSBXNMUJHY-UWVGGRQHSA-N 2 0 229.368 0.994 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351769722 535952137 /nfs/dbraw/zinc/95/21/37/535952137.db2.gz LFMOBWAIINOQMC-NAKRPEOUSA-N 2 0 227.352 0.556 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000335369770 535963208 /nfs/dbraw/zinc/96/32/08/535963208.db2.gz YSFSYYWXLCDEPK-YPMHNXCESA-N 2 0 239.363 0.396 20 0 BCADRP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000335344712 536041680 /nfs/dbraw/zinc/04/16/80/536041680.db2.gz KIKBPWVPMIYXOV-LBPRGKRZSA-N 2 0 247.342 0.921 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000261539375 536138449 /nfs/dbraw/zinc/13/84/49/536138449.db2.gz CFWLOFHQSLGMMN-UTLUCORTSA-N 2 0 213.325 0.310 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000261546025 536138540 /nfs/dbraw/zinc/13/85/40/536138540.db2.gz KOROXIAVZOAAGT-LPEHRKFASA-N 2 0 213.325 0.452 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000134210355 536357004 /nfs/dbraw/zinc/35/70/04/536357004.db2.gz ZIQKGDIELGLKJJ-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000258657960 536371640 /nfs/dbraw/zinc/37/16/40/536371640.db2.gz SKMCYAZBDLNUEX-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)N(C)C1CC1 ZINC000217587923 536596590 /nfs/dbraw/zinc/59/65/90/536596590.db2.gz NODBHKITHMWSQE-NWDGAFQWSA-N 2 0 243.395 0.813 20 0 BCADRP COC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)OC ZINC000227712940 536854350 /nfs/dbraw/zinc/85/43/50/536854350.db2.gz LWSFPRUUYGJDQF-UPJWGTAASA-N 2 0 242.363 0.864 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC000333498284 537995038 /nfs/dbraw/zinc/99/50/38/537995038.db2.gz FBRKREDIHAGJSP-OUAUKWLOSA-N 2 0 240.351 0.130 20 0 BCADRP c1c([C@H]2CCCC[NH2+]2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000725263161 538089689 /nfs/dbraw/zinc/08/96/89/538089689.db2.gz RTGLOSSLYGTUJM-WDEREUQCSA-N 2 0 235.335 0.845 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)NCCC(C)(C)[NH3+] ZINC000892850948 582996088 /nfs/dbraw/zinc/99/60/88/582996088.db2.gz PQJKLUOCHHRIDN-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H]1CN(C(=O)NCCC2(C[NH3+])CC2)CC[NH2+]1 ZINC000652232148 583153653 /nfs/dbraw/zinc/15/36/53/583153653.db2.gz RJIQBTVWMPWXCN-SNVBAGLBSA-N 2 0 240.351 0.119 20 0 BCADRP CCN(CCO)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000893645944 583185535 /nfs/dbraw/zinc/18/55/35/583185535.db2.gz BSOHWEHVHXJYHM-UHFFFAOYSA-N 3 0 243.395 0.232 20 0 BCADRP CO[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@@H]1OC ZINC000894006565 583270097 /nfs/dbraw/zinc/27/00/97/583270097.db2.gz ATFIXTLEMCLSHJ-BETUJISGSA-N 2 0 242.363 0.674 20 0 BCADRP [NH3+]CCCCCC[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000853247026 588727181 /nfs/dbraw/zinc/72/71/81/588727181.db2.gz ZNRQRZPGZJALAN-VXGBXAGGSA-N 3 0 211.353 0.705 20 0 BCADRP C([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1CCCOC1 ZINC000853245654 588728548 /nfs/dbraw/zinc/72/85/48/588728548.db2.gz AUKBTGUUPAYATP-VOMCLLRMSA-N 2 0 210.321 0.755 20 0 BCADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@]12C[C@H]1C[NH2+]C2 ZINC000853245245 588728643 /nfs/dbraw/zinc/72/86/43/588728643.db2.gz JAHOKGBBCAPDLJ-APYLGABCSA-N 2 0 235.375 0.940 20 0 BCADRP C(N1CC[C@]2(CCC[NH2+]2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000853246486 588728696 /nfs/dbraw/zinc/72/86/96/588728696.db2.gz LMTDBPMMIMNVHY-YNEHKIRRSA-N 2 0 221.348 0.424 20 0 BCADRP CCC[N@H+](C)CC(C)(C)NC(=O)C[NH2+]CC ZINC000854013679 588771884 /nfs/dbraw/zinc/77/18/84/588771884.db2.gz BQHJUCQJTXJRBO-UHFFFAOYSA-N 2 0 229.368 0.833 20 0 BCADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CC[C@H]2C2CC2)n1 ZINC000854232100 588781415 /nfs/dbraw/zinc/78/14/15/588781415.db2.gz LMEAAZUCEMXGBD-QWRGUYRKSA-N 2 0 248.330 0.919 20 0 BCADRP C[C@@H](CNC(=O)N1C[C@@H]([NH3+])C[C@H]1C)[NH+](C)C ZINC000891940412 582741852 /nfs/dbraw/zinc/74/18/52/582741852.db2.gz QORJWUSOEVMLFO-UTLUCORTSA-N 2 0 228.340 0.068 20 0 BCADRP CC[NH2+]CCCNC(=O)NCCC(C)(C)[NH3+] ZINC000891966515 582748944 /nfs/dbraw/zinc/74/89/44/582748944.db2.gz PGUSXKREUDFEDH-UHFFFAOYSA-N 2 0 230.356 0.413 20 0 BCADRP CN(C(=O)NCC[NH3+])C1(C[NH3+])CCCCC1 ZINC000891977775 582751072 /nfs/dbraw/zinc/75/10/72/582751072.db2.gz RCPXWGPFFZJAIO-UHFFFAOYSA-N 2 0 228.340 0.248 20 0 BCADRP [NH3+]CCCNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891985392 582752605 /nfs/dbraw/zinc/75/26/05/582752605.db2.gz BEHMOJYVCLFCHC-JGPRNRPPSA-N 2 0 240.351 0.165 20 0 BCADRP [NH3+]C1CCC(NC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000892021918 582763256 /nfs/dbraw/zinc/76/32/56/582763256.db2.gz NTBBILKZDHXCRA-RSIPAPEOSA-N 2 0 240.351 0.293 20 0 BCADRP CC(C)([NH3+])CNC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000892030273 582765707 /nfs/dbraw/zinc/76/57/07/582765707.db2.gz GAHDVHDSHNMFAP-SNVBAGLBSA-N 2 0 242.367 0.637 20 0 BCADRP CCN(C(=O)N[C@@H](C[NH3+])C1CC1)[C@H]1CC[NH2+]C1 ZINC000892029358 582766093 /nfs/dbraw/zinc/76/60/93/582766093.db2.gz VBGTTZCFGKKWOY-QWRGUYRKSA-N 2 0 240.351 0.117 20 0 BCADRP CC(C)([NH3+])CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892033706 582767414 /nfs/dbraw/zinc/76/74/14/582767414.db2.gz GFVWEYOBHKFKDQ-UWVGGRQHSA-N 2 0 240.351 0.260 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000892040383 582769936 /nfs/dbraw/zinc/76/99/36/582769936.db2.gz LVNPLUBZZJRGQA-OUAUKWLOSA-N 2 0 242.367 0.635 20 0 BCADRP CCN(C(=O)N[C@H](C)CC[NH3+])[C@H]1CC[NH2+]C1 ZINC000892053490 582775087 /nfs/dbraw/zinc/77/50/87/582775087.db2.gz LGLVBUFVNFKNLK-ZJUUUORDSA-N 2 0 228.340 0.117 20 0 BCADRP CCN(C(=O)N[C@@H](C)CC[NH3+])[C@H]1CC[NH2+]C1 ZINC000892053486 582775096 /nfs/dbraw/zinc/77/50/96/582775096.db2.gz LGLVBUFVNFKNLK-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C(=O)N[C@H](C)CC[NH3+] ZINC000892052499 582775787 /nfs/dbraw/zinc/77/57/87/582775787.db2.gz CQGAWQPQLBZWRK-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892055922 582777542 /nfs/dbraw/zinc/77/75/42/582777542.db2.gz MTRPYKNZGPMIOU-GMTAPVOTSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892061375 582780065 /nfs/dbraw/zinc/78/00/65/582780065.db2.gz GYPBMCRYCWPFIA-NXEZZACHSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000892079766 582786849 /nfs/dbraw/zinc/78/68/49/582786849.db2.gz ZWAMVMMHFQUFAL-RCWTZXSCSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000892079768 582786870 /nfs/dbraw/zinc/78/68/70/582786870.db2.gz ZWAMVMMHFQUFAL-ZNSHCXBVSA-N 2 0 240.351 0.116 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000892089661 582789113 /nfs/dbraw/zinc/78/91/13/582789113.db2.gz VQZNRKXFHRDXTO-OUAUKWLOSA-N 2 0 240.351 0.389 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C(=O)N[C@@H](C)C[NH3+] ZINC000892092752 582789524 /nfs/dbraw/zinc/78/95/24/582789524.db2.gz LDGQCOBVBDBHEP-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]1C[C@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000892098125 582790555 /nfs/dbraw/zinc/79/05/55/582790555.db2.gz XRRPLEDLQJCDLE-UKKRHICBSA-N 2 0 240.351 0.163 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000892136553 582798144 /nfs/dbraw/zinc/79/81/44/582798144.db2.gz YEHYXWJQYSUBAU-OUAUKWLOSA-N 2 0 242.367 0.635 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892134661 582798201 /nfs/dbraw/zinc/79/82/01/582798201.db2.gz MYNWYTGMTAZZQV-DCAQKATOSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892134662 582798217 /nfs/dbraw/zinc/79/82/17/582798217.db2.gz MYNWYTGMTAZZQV-VWYCJHECSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000892141253 582799289 /nfs/dbraw/zinc/79/92/89/582799289.db2.gz IAQJCYQAXVSYEH-DCAQKATOSA-N 2 0 242.367 0.635 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)NCCC(C)(C)[NH3+] ZINC000892141924 582799524 /nfs/dbraw/zinc/79/95/24/582799524.db2.gz SUKVAFYMPLRORU-SECBINFHSA-N 2 0 230.356 0.540 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000892143671 582799799 /nfs/dbraw/zinc/79/97/99/582799799.db2.gz FJENGMHZQQMVJJ-QFOLPQNPSA-N 2 0 240.351 0.306 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000892142709 582799833 /nfs/dbraw/zinc/79/98/33/582799833.db2.gz BFJHMIJNKOWKTJ-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892144051 582799841 /nfs/dbraw/zinc/79/98/41/582799841.db2.gz HGHMWEUGYZRQCP-GMTAPVOTSA-N 2 0 242.367 0.540 20 0 BCADRP CNC(=O)[C@@H](C)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000892207139 582807666 /nfs/dbraw/zinc/80/76/66/582807666.db2.gz FKWOGAXIVSUONJ-NSHDSACASA-N 2 0 241.379 0.642 20 0 BCADRP [NH3+]CCCCCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892207544 582807767 /nfs/dbraw/zinc/80/77/67/582807767.db2.gz HXVGIBKPYVLJRA-QWRGUYRKSA-N 2 0 240.351 0.261 20 0 BCADRP C[C@H](CNC(=[NH2+])N1CCC1)[NH+]1CCCC1 ZINC000848986526 582817250 /nfs/dbraw/zinc/81/72/50/582817250.db2.gz BHCKJIPISPRQQB-SNVBAGLBSA-N 2 0 210.325 0.701 20 0 BCADRP CCNC(=[NH2+])NCC[N@@H+]1CCCC[C@@H]1C ZINC000848987471 582818193 /nfs/dbraw/zinc/81/81/93/582818193.db2.gz AAANMCQFSRCXMH-JTQLQIEISA-N 2 0 212.341 0.995 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)C[NH2+]1 ZINC000892289087 582828840 /nfs/dbraw/zinc/82/88/40/582828840.db2.gz BAGRIEJUUIIBCC-NAKRPEOUSA-N 2 0 240.351 0.163 20 0 BCADRP C[C@H]1C[N@H+](CCCNC(=[NH2+])N(C)C)CCCO1 ZINC000849022749 582829024 /nfs/dbraw/zinc/82/90/24/582829024.db2.gz VQUNBPBKOQARMS-NSHDSACASA-N 2 0 242.367 0.573 20 0 BCADRP CNC(=[NH2+])NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000849022464 582829215 /nfs/dbraw/zinc/82/92/15/582829215.db2.gz BRCMLOSDJCEZBN-JTQLQIEISA-N 2 0 228.340 0.231 20 0 BCADRP CCNC(=[NH2+])NCC[C@H]1CCC[N@H+](C)C1 ZINC000849041665 582839193 /nfs/dbraw/zinc/83/91/93/582839193.db2.gz VDDZTGYSIRKSKV-SNVBAGLBSA-N 2 0 212.341 0.852 20 0 BCADRP C[NH+](C)[C@@H](CNc1cc[nH+]cc1CO)C1CC1 ZINC000892345021 582863553 /nfs/dbraw/zinc/86/35/53/582863553.db2.gz ISJSYXLZTBDISZ-ZDUSSCGKSA-N 2 0 235.331 0.748 20 0 BCADRP C[NH+](C)CCNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892444100 582889075 /nfs/dbraw/zinc/88/90/75/582889075.db2.gz BDGLOAJAFQMASD-XYPYZODXSA-N 2 0 242.367 0.365 20 0 BCADRP C[NH+]1CCC(C[NH2+]Cc2nnc3n2CCC3)CC1 ZINC000892527032 582906624 /nfs/dbraw/zinc/90/66/24/582906624.db2.gz GHPLJHJFJFAANH-UHFFFAOYSA-N 2 0 249.362 0.656 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892568479 582915812 /nfs/dbraw/zinc/91/58/12/582915812.db2.gz UFIQUWKVKVZHSI-VLEAKVRGSA-N 2 0 240.351 0.116 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)NCCC(C)(C)[NH3+])C1 ZINC000892851646 582996784 /nfs/dbraw/zinc/99/67/84/582996784.db2.gz WMXFKZNTDZXXTH-SECBINFHSA-N 2 0 228.340 0.117 20 0 BCADRP CCC1([NH3+])CCN(C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000892934315 583011973 /nfs/dbraw/zinc/01/19/73/583011973.db2.gz CYZKDMSKMIUXLP-JTQLQIEISA-N 2 0 242.367 0.589 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@H](CO)C2CC2)CC1 ZINC000892965304 583022872 /nfs/dbraw/zinc/02/28/72/583022872.db2.gz HSRKTQMWJVQFIS-GFCCVEGCSA-N 2 0 212.337 0.689 20 0 BCADRP CCn1ncc(CN2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000857084700 588886469 /nfs/dbraw/zinc/88/64/69/588886469.db2.gz XZRYLVLNERBNAJ-NXEZZACHSA-N 2 0 223.324 0.467 20 0 BCADRP CCn1ncc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000857084416 588886510 /nfs/dbraw/zinc/88/65/10/588886510.db2.gz SBLMHZKKAGSMIT-DRZSPHRISA-N 2 0 249.362 0.857 20 0 BCADRP CCn1ncc(CN2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000857084433 588886260 /nfs/dbraw/zinc/88/62/60/588886260.db2.gz SLVFPKYSNOYDOG-VHSXEESVSA-N 2 0 223.324 0.467 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000857104315 588887285 /nfs/dbraw/zinc/88/72/85/588887285.db2.gz SAKLCPILZGIKOE-AEJSXWLSSA-N 2 0 228.340 0.293 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000857103930 588887719 /nfs/dbraw/zinc/88/77/19/588887719.db2.gz OWTJSZYHPFDJMZ-BQBZGAKWSA-N 2 0 238.282 0.005 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)NCC[C@H](C)[NH3+] ZINC000857104298 588887776 /nfs/dbraw/zinc/88/77/76/588887776.db2.gz RVSNOPPPZPINTH-VHSXEESVSA-N 2 0 230.356 0.540 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000857107285 588888083 /nfs/dbraw/zinc/88/80/83/588888083.db2.gz QQOVATAZZPCMPB-GUBZILKMSA-N 2 0 228.340 0.102 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)NCC[C@H](C)[NH3+])C1 ZINC000857107412 588888662 /nfs/dbraw/zinc/88/86/62/588888662.db2.gz USMRTYKCERJBJW-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CC[C@H]21 ZINC000877250391 583305091 /nfs/dbraw/zinc/30/50/91/583305091.db2.gz PNHQDZOKQAUEJF-WISYIIOYSA-N 2 0 237.347 0.276 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000877272990 583306783 /nfs/dbraw/zinc/30/67/83/583306783.db2.gz BOIXZTDGJNAGFE-VLEAKVRGSA-N 2 0 223.320 0.077 20 0 BCADRP CC(C)[N@H+](C)CCNC(=S)NCC[NH+](C)C ZINC000726131039 583339201 /nfs/dbraw/zinc/33/92/01/583339201.db2.gz PHNLSRBZIREPSG-UHFFFAOYSA-N 2 0 246.424 0.352 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841845693 583355534 /nfs/dbraw/zinc/35/55/34/583355534.db2.gz GDHLTXMXPXPDFP-ONGXEEELSA-N 2 0 225.336 0.385 20 0 BCADRP [NH3+]CCOc1cccc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000841848110 583362429 /nfs/dbraw/zinc/36/24/29/583362429.db2.gz VFCCDUMHPSIJHT-GFCCVEGCSA-N 2 0 249.314 0.715 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000841849407 583367076 /nfs/dbraw/zinc/36/70/76/583367076.db2.gz RLRTVCZBIRZRCD-JQWIXIFHSA-N 2 0 243.326 0.289 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)[C@@H](C)C[NH2+]1 ZINC000841849384 583367373 /nfs/dbraw/zinc/36/73/73/583367373.db2.gz PWYQUEFCEBSHDQ-YWVKMMECSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H](O)CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582068 583440656 /nfs/dbraw/zinc/44/06/56/583440656.db2.gz PNKYQWORZQXYJO-SRVKXCTJSA-N 2 0 212.337 0.783 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333746509 583441312 /nfs/dbraw/zinc/44/13/12/583441312.db2.gz YJHJYCOYAFAQCT-WDEREUQCSA-N 2 0 240.351 0.261 20 0 BCADRP CN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H]1CCC(=O)O1 ZINC000880140944 583472513 /nfs/dbraw/zinc/47/25/13/583472513.db2.gz FVDBMFSJSNRIKT-IJLUTSLNSA-N 2 0 238.331 0.861 20 0 BCADRP C[C@@H](CCO)[NH2+]C[C@H]1CCCN1CCCO ZINC000894667717 583502605 /nfs/dbraw/zinc/50/26/05/583502605.db2.gz KJQGIZBTGDWDTM-NWDGAFQWSA-N 2 0 230.352 0.194 20 0 BCADRP C[NH+]1CCC(C[NH2+]C[C@@H]2COCO2)CC1 ZINC000894887084 583546760 /nfs/dbraw/zinc/54/67/60/583546760.db2.gz GMFXFAITDLMWRQ-LLVKDONJSA-N 2 0 214.309 0.291 20 0 BCADRP CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cnc[nH]1 ZINC000894889608 583548160 /nfs/dbraw/zinc/54/81/60/583548160.db2.gz VSMSVDJSKBCVAB-MWLCHTKSSA-N 2 0 225.292 0.551 20 0 BCADRP C[NH+]1CCC(C[NH2+]CC2(CC(N)=O)CC2)CC1 ZINC000894972742 583560062 /nfs/dbraw/zinc/56/00/62/583560062.db2.gz YPHXFJSDSMMYMV-UHFFFAOYSA-N 2 0 239.363 0.573 20 0 BCADRP CC(=O)N[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000894973554 583561644 /nfs/dbraw/zinc/56/16/44/583561644.db2.gz UMQUOSJBTUOCBM-ZDUSSCGKSA-N 2 0 239.363 0.539 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000895107765 583590112 /nfs/dbraw/zinc/59/01/12/583590112.db2.gz DCTUOVHHWPCHDF-VXGBXAGGSA-N 2 0 228.336 0.332 20 0 BCADRP COCCOC[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000895209003 583626211 /nfs/dbraw/zinc/62/62/11/583626211.db2.gz PIRATKRRAWJOJW-UPJWGTAASA-N 2 0 244.379 0.968 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000669518410 583630779 /nfs/dbraw/zinc/63/07/79/583630779.db2.gz YUSBPXYKKUYIJC-VWYCJHECSA-N 2 0 245.342 0.533 20 0 BCADRP C[C@@H](Cn1cncn1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895291625 583637291 /nfs/dbraw/zinc/63/72/91/583637291.db2.gz HDMOQVMVOKXEHP-QWRGUYRKSA-N 2 0 225.340 0.596 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@H]2C[C@H](C(N)=O)C2)CC1 ZINC000895588848 583694728 /nfs/dbraw/zinc/69/47/28/583694728.db2.gz IQOMTGVVQIDZRJ-XYPYZODXSA-N 2 0 225.336 0.182 20 0 BCADRP CON(C)C(=O)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000895666932 583705697 /nfs/dbraw/zinc/70/56/97/583705697.db2.gz ZEKMBYUHKCYRFU-JTQLQIEISA-N 2 0 243.351 0.326 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C ZINC000895681344 583709207 /nfs/dbraw/zinc/70/92/07/583709207.db2.gz QXAWJLWWGDJWLV-WDEREUQCSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@@H]1[C@@H](Nc2cc[nH+]cc2CO)CC[N@@H+]1C ZINC000895736254 583717739 /nfs/dbraw/zinc/71/77/39/583717739.db2.gz IRYMHTMHNILNMR-KOLCDFICSA-N 2 0 221.304 0.500 20 0 BCADRP C[N@@H+]1CC[C@H]1CNc1cc[nH+]c(CO)c1 ZINC000895766907 583719982 /nfs/dbraw/zinc/71/99/82/583719982.db2.gz GXKWHUZUXKCWDS-NSHDSACASA-N 2 0 207.277 0.690 20 0 BCADRP CC[C@@H](C(=O)N[C@@H]1CCn2cncc21)[NH+](C)C ZINC000857979324 588925619 /nfs/dbraw/zinc/92/56/19/588925619.db2.gz AZHUSLARVBMUOZ-ZJUUUORDSA-N 2 0 236.319 0.784 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000896023326 583764503 /nfs/dbraw/zinc/76/45/03/583764503.db2.gz ZYFQGHBNLKMYAN-VXGBXAGGSA-N 2 0 210.321 0.395 20 0 BCADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@H]2C)[C@H]1OC ZINC000896555635 583812283 /nfs/dbraw/zinc/81/22/83/583812283.db2.gz QERNJNGMWKZSOL-JZRPKSSGSA-N 2 0 242.363 0.861 20 0 BCADRP CC[N@H+](CCC(N)=O)CC1CC[NH+](C)CC1 ZINC000896706325 583823350 /nfs/dbraw/zinc/82/33/50/583823350.db2.gz BWXUXOXAHQBOMX-UHFFFAOYSA-N 2 0 227.352 0.526 20 0 BCADRP CCOCCOCC[NH2+]CC1CC[NH+](C)CC1 ZINC000897205425 583894256 /nfs/dbraw/zinc/89/42/56/583894256.db2.gz XCHKDXMYTWHLAV-UHFFFAOYSA-N 2 0 244.379 0.971 20 0 BCADRP CC(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000144539276 583927910 /nfs/dbraw/zinc/92/79/10/583927910.db2.gz BAJJANHBJXBUEW-UHFFFAOYSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870946429 583931864 /nfs/dbraw/zinc/93/18/64/583931864.db2.gz HJIUZRJTKDZXSA-XTQFYOIMSA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000870941606 583932154 /nfs/dbraw/zinc/93/21/54/583932154.db2.gz ZJJVLCZIOSRLSN-WRWGMCAJSA-N 2 0 239.363 0.890 20 0 BCADRP [NH3+]CCCOCC[NH2+]C[C@@H]1CCCOC1 ZINC000863484734 583992346 /nfs/dbraw/zinc/99/23/46/583992346.db2.gz LEFGQPBPCPGPGX-NSHDSACASA-N 2 0 216.325 0.368 20 0 BCADRP O=C1OCC[C@@H]1N1CCC[C@@H](n2ccnc2)C1 ZINC000729920212 584029921 /nfs/dbraw/zinc/02/99/21/584029921.db2.gz LDCGOSBDGAQRIZ-MNOVXSKESA-N 2 0 235.287 0.836 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897760224 584044553 /nfs/dbraw/zinc/04/45/53/584044553.db2.gz KJHAMTLBDMATEW-WDEREUQCSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000897845450 584054158 /nfs/dbraw/zinc/05/41/58/584054158.db2.gz QJQISWSHBAUOTO-TUAOUCFPSA-N 2 0 239.363 0.632 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)CC1 ZINC000898183781 584093323 /nfs/dbraw/zinc/09/33/23/584093323.db2.gz NEARCJXDTIOYIC-RYUDHWBXSA-N 2 0 230.327 0.733 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)CC1 ZINC000898183780 584093360 /nfs/dbraw/zinc/09/33/60/584093360.db2.gz NEARCJXDTIOYIC-NWDGAFQWSA-N 2 0 230.327 0.733 20 0 BCADRP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873252041 584128313 /nfs/dbraw/zinc/12/83/13/584128313.db2.gz OYRLQMWSJFQURL-BBBLOLIVSA-N 2 0 234.365 0.137 20 0 BCADRP [NH3+][C@H](CO)c1ccc(C=C2C[NH2+]C2)cc1 ZINC000899328004 584198009 /nfs/dbraw/zinc/19/80/09/584198009.db2.gz LBIQITAWLXOQGU-GFCCVEGCSA-N 2 0 204.273 0.665 20 0 BCADRP c1c([C@H]2CCCC[NH2+]2)nnn1[C@H]1CC[NH2+]C1 ZINC000899724807 584229961 /nfs/dbraw/zinc/22/99/61/584229961.db2.gz KHTHFLWRSUEERC-VHSXEESVSA-N 2 0 221.308 0.627 20 0 BCADRP CON(C)C(=O)[C@H](C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000858580033 588968781 /nfs/dbraw/zinc/96/87/81/588968781.db2.gz VVVCLZBORGFMBM-DCAQKATOSA-N 2 0 243.351 0.467 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CCC12CC[NH+](C)CC2 ZINC000899909636 584250534 /nfs/dbraw/zinc/25/05/34/584250534.db2.gz FWALQQWNWVDECT-NSHDSACASA-N 2 0 244.404 0.880 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000899919609 584252570 /nfs/dbraw/zinc/25/25/70/584252570.db2.gz CGDFWKGFEPVINY-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1Cc1nc(C2([NH3+])CCC2)no1 ZINC000900009399 584264675 /nfs/dbraw/zinc/26/46/75/584264675.db2.gz YIPXTJTYWHMKJZ-RKDXNWHRSA-N 2 0 236.319 0.806 20 0 BCADRP C[NH2+][C@@H](C)Cc1noc([C@@]2(C)CCC[NH2+]2)n1 ZINC000900008646 584264823 /nfs/dbraw/zinc/26/48/23/584264823.db2.gz NXVUROABRKCXTL-GZMMTYOYSA-N 2 0 224.308 0.819 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1Cc1nc([C@H]2CCC[NH2+]2)no1 ZINC000900010848 584265398 /nfs/dbraw/zinc/26/53/98/584265398.db2.gz XRBWRMMAVLOTDF-OPRDCNLKSA-N 2 0 236.319 0.892 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900305728 584293444 /nfs/dbraw/zinc/29/34/44/584293444.db2.gz LFAFQVJSVYCOTK-NSHDSACASA-N 2 0 237.347 0.150 20 0 BCADRP C[N@H+](CC(=O)N1CC[NH2+]C(C)(C)C1)C1CCC1 ZINC000900938338 584367157 /nfs/dbraw/zinc/36/71/57/584367157.db2.gz TVXNJTFKYINUFE-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000902334331 584563834 /nfs/dbraw/zinc/56/38/34/584563834.db2.gz DSQBAJJMPGPPKO-MNOVXSKESA-N 2 0 239.363 0.633 20 0 BCADRP CC(=O)NCCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902337169 584565393 /nfs/dbraw/zinc/56/53/93/584565393.db2.gz ZDMXWDSCZGSJAU-LBPRGKRZSA-N 2 0 241.379 0.880 20 0 BCADRP COCC[C@@H](CO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902383268 584577591 /nfs/dbraw/zinc/57/75/91/584577591.db2.gz KKLZPFGMDVSKPY-RYUDHWBXSA-N 2 0 244.379 0.752 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CNC(=O)C2)C1 ZINC000902390897 584582192 /nfs/dbraw/zinc/58/21/92/584582192.db2.gz QSRKYBGFORYKFP-WDEREUQCSA-N 2 0 239.363 0.490 20 0 BCADRP COCC[NH2+]CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391977 584582655 /nfs/dbraw/zinc/58/26/55/584582655.db2.gz DAKZWGUVQWUJHG-LBPRGKRZSA-N 2 0 243.395 0.590 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902394152 584583624 /nfs/dbraw/zinc/58/36/24/584583624.db2.gz WZKKQYBAHYBXTF-QJPTWQEYSA-N 2 0 242.363 0.768 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H](NCC2C[NH2+]C2)C1 ZINC000902394405 584584754 /nfs/dbraw/zinc/58/47/54/584584754.db2.gz VTKWWUYHGCYPKK-LLVKDONJSA-N 2 0 211.353 0.574 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000902395479 584584803 /nfs/dbraw/zinc/58/48/03/584584803.db2.gz FUFADGVYOAPZAZ-LBPRGKRZSA-N 3 0 243.395 0.720 20 0 BCADRP C[NH2+]C[C@@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902398916 584586339 /nfs/dbraw/zinc/58/63/39/584586339.db2.gz LYIKISKLEISASZ-GHMZBOCLSA-N 2 0 213.369 0.962 20 0 BCADRP C[N@@H+]1CC[C@H](NCC2([NH3+])CC2)[C@H]2CCC[C@H]21 ZINC000902403594 584587938 /nfs/dbraw/zinc/58/79/38/584587938.db2.gz ADXBKRRBSLLXCP-GRYCIOLGSA-N 2 0 223.364 0.940 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902402475 584588231 /nfs/dbraw/zinc/58/82/31/584588231.db2.gz LUCJDANNELYITC-IJLUTSLNSA-N 2 0 225.380 0.962 20 0 BCADRP NOCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000902415416 584589869 /nfs/dbraw/zinc/58/98/69/584589869.db2.gz NOTVPLWVLDQECF-TUAOUCFPSA-N 2 0 227.352 0.777 20 0 BCADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCON ZINC000902416600 584590150 /nfs/dbraw/zinc/59/01/50/584590150.db2.gz UPUSDZWERDTNKD-AAEUAGOBSA-N 2 0 237.347 0.815 20 0 BCADRP CC1(C)[C@H]([NH2+]CCCON)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902416650 584590293 /nfs/dbraw/zinc/59/02/93/584590293.db2.gz VOGXRMOUUIPTRT-OUAUKWLOSA-N 2 0 227.352 0.633 20 0 BCADRP C[C@H]([NH2+]CC1([NH3+])CC1)C1CC[NH+](C)CC1 ZINC000902416416 584590706 /nfs/dbraw/zinc/59/07/06/584590706.db2.gz NVZFMHWMLSRCBF-JTQLQIEISA-N 3 0 211.353 0.798 20 0 BCADRP C[C@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])C1C[NH2+]C1 ZINC000902431593 584595500 /nfs/dbraw/zinc/59/55/00/584595500.db2.gz GCSCYLSAVQHTGF-CUOATXAZSA-N 2 0 231.343 0.809 20 0 BCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC1CC[NH2+]CC1 ZINC000902434282 584596105 /nfs/dbraw/zinc/59/61/05/584596105.db2.gz NDHNMIHMZUDMFT-ZIAGYGMSSA-N 2 0 231.343 0.953 20 0 BCADRP COC[C@H](CCC[NH3+])N[C@@H]1C[NH2+]CC1(C)C ZINC000902440829 584597011 /nfs/dbraw/zinc/59/70/11/584597011.db2.gz APBPXNRDBSSDRY-WDEREUQCSA-N 2 0 229.368 0.328 20 0 BCADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902441586 584597563 /nfs/dbraw/zinc/59/75/63/584597563.db2.gz FEPYIVSFPCNKOL-OUAUKWLOSA-N 2 0 212.337 0.999 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000902440930 584597837 /nfs/dbraw/zinc/59/78/37/584597837.db2.gz BLGTWSYDXSVLPP-DCAQKATOSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902442033 584597934 /nfs/dbraw/zinc/59/79/34/584597934.db2.gz HFEKEIZZWZHGCN-GARJFASQSA-N 2 0 211.353 0.715 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000902441672 584597991 /nfs/dbraw/zinc/59/79/91/584597991.db2.gz FVAXBOLSWVWWNB-MBYGNEARSA-N 2 0 223.364 0.857 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000902442596 584598486 /nfs/dbraw/zinc/59/84/86/584598486.db2.gz JQIPUBOLXVJVNR-VWYCJHECSA-N 2 0 211.353 0.701 20 0 BCADRP [NH3+]C1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000902413510 584599603 /nfs/dbraw/zinc/59/96/03/584599603.db2.gz NFCCIPYWJKQMJF-WDEREUQCSA-N 2 0 209.337 0.694 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474652 584602198 /nfs/dbraw/zinc/60/21/98/584602198.db2.gz HGLIZGVUWGEIHH-DKUYFVBVSA-N 2 0 235.375 0.952 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902479494 584604290 /nfs/dbraw/zinc/60/42/90/584604290.db2.gz YGAZXIAANRDVGD-UTUOFQBUSA-N 2 0 211.353 0.988 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000902447255 584604704 /nfs/dbraw/zinc/60/47/04/584604704.db2.gz XOMKJMYJSBTVEL-XQHKEYJVSA-N 3 0 237.391 0.962 20 0 BCADRP C[NH+]1CCC(N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000902447855 584604870 /nfs/dbraw/zinc/60/48/70/584604870.db2.gz WMHVCUYMMOSWNO-LLVKDONJSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902452121 584607442 /nfs/dbraw/zinc/60/74/42/584607442.db2.gz IVYWIOMIVUMCKG-KPXOBLAASA-N 2 0 222.332 0.892 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454283 584608977 /nfs/dbraw/zinc/60/89/77/584608977.db2.gz SDOGXZRGJFTHQI-BUNZCYNESA-N 2 0 208.305 0.632 20 0 BCADRP CC1(C)CC[N@H+](CCN[C@H]2C[NH2+]CCOC2)C1 ZINC000902456610 584610136 /nfs/dbraw/zinc/61/01/36/584610136.db2.gz OZWVMWKQRJQEHC-LBPRGKRZSA-N 2 0 241.379 0.296 20 0 BCADRP CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000902456215 584610244 /nfs/dbraw/zinc/61/02/44/584610244.db2.gz ODOCJKSWASNHHI-LMLFDSFASA-N 2 0 216.325 0.506 20 0 BCADRP C[C@@H](C[C@H]1COCC[NH2+]1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461035 584611192 /nfs/dbraw/zinc/61/11/92/584611192.db2.gz KRVAHMLNPMXFBN-JZRPKSSGSA-N 2 0 239.363 0.236 20 0 BCADRP Cn1cnc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000902462639 584612362 /nfs/dbraw/zinc/61/23/62/584612362.db2.gz WQQCQJPRHSIWEB-GRYCIOLGSA-N 2 0 234.347 0.898 20 0 BCADRP [NH3+][C@H]1C[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C12CCC2 ZINC000902463217 584612651 /nfs/dbraw/zinc/61/26/51/584612651.db2.gz ZYPQELGXKVIKOB-KNZXXDILSA-N 2 0 221.348 0.739 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902464647 584612980 /nfs/dbraw/zinc/61/29/80/584612980.db2.gz BCSLMKRCKRICPO-LDMBFOFVSA-N 2 0 209.337 0.609 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902465888 584613657 /nfs/dbraw/zinc/61/36/57/584613657.db2.gz GQEAVMQYZNFKJJ-MTVMDMGHSA-N 2 0 209.337 0.739 20 0 BCADRP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466238 584614214 /nfs/dbraw/zinc/61/42/14/584614214.db2.gz KRVAHMLNPMXFBN-NJMOYASZSA-N 2 0 239.363 0.236 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902467197 584614481 /nfs/dbraw/zinc/61/44/81/584614481.db2.gz MQQYBHVLISLOTR-LMLFDSFASA-N 2 0 209.337 0.609 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902467647 584614553 /nfs/dbraw/zinc/61/45/53/584614553.db2.gz QJSIYTCAYOTOKK-FPYNETTCSA-N 2 0 223.364 0.857 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466814 584614734 /nfs/dbraw/zinc/61/47/34/584614734.db2.gz NFKNZTYZHMWRSZ-LDMBFOFVSA-N 2 0 209.337 0.596 20 0 BCADRP COC[C@H](CCC[NH3+])N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468823 584615539 /nfs/dbraw/zinc/61/55/39/584615539.db2.gz WLEXWXLZWBQQLX-NOOOWODRSA-N 3 0 227.352 0.223 20 0 BCADRP C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1CCCC[NH2+]1 ZINC000902468841 584615576 /nfs/dbraw/zinc/61/55/76/584615576.db2.gz WTXUJTNNOVOKHJ-CKIKVBCHSA-N 2 0 223.364 1.000 20 0 BCADRP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469394 584615588 /nfs/dbraw/zinc/61/55/88/584615588.db2.gz PXPGWJXIJJXXQR-IYKVGLELSA-N 2 0 210.321 0.894 20 0 BCADRP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1CCOC1 ZINC000902471739 584617465 /nfs/dbraw/zinc/61/74/65/584617465.db2.gz RRHXZXKZHCPTAF-YBXAARCKSA-N 2 0 210.321 0.894 20 0 BCADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1nccn1C ZINC000902489987 584617524 /nfs/dbraw/zinc/61/75/24/584617524.db2.gz QNSKXHUBOHDXFK-GUBZILKMSA-N 2 0 208.309 0.808 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902490788 584618441 /nfs/dbraw/zinc/61/84/41/584618441.db2.gz VRBDQYCLHCTAOT-BJDJZHNGSA-N 3 0 211.353 0.701 20 0 BCADRP COC[C@H](CCC[NH3+])NC[C@H]1CCCCC[NH2+]1 ZINC000902481603 584624357 /nfs/dbraw/zinc/62/43/57/584624357.db2.gz FNIAIDMPHYVKDF-OLZOCXBDSA-N 2 0 243.395 0.862 20 0 BCADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)C(C)(C)n1cncn1 ZINC000902484165 584624540 /nfs/dbraw/zinc/62/45/40/584624540.db2.gz FAZIJWGHWIFONZ-DCAQKATOSA-N 2 0 237.351 0.729 20 0 BCADRP C[NH+](C)CCCC[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903083947 584724817 /nfs/dbraw/zinc/72/48/17/584724817.db2.gz RHWPCGUOCWNURG-CHWSQXEVSA-N 2 0 242.363 0.866 20 0 BCADRP [NH3+]CCCOC1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903425198 584761234 /nfs/dbraw/zinc/76/12/34/584761234.db2.gz WROVLBHEWBRFOE-GFCCVEGCSA-N 2 0 241.379 0.568 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000903441531 584763483 /nfs/dbraw/zinc/76/34/83/584763483.db2.gz WOPDAIGGYIBPGR-KXUCPTDWSA-N 2 0 227.352 0.332 20 0 BCADRP CCCN(C[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000903423540 584764588 /nfs/dbraw/zinc/76/45/88/584764588.db2.gz WIWBQHJDOISVJU-AGIUHOORSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCO1 ZINC000903458726 584765140 /nfs/dbraw/zinc/76/51/40/584765140.db2.gz IHCMYLYVIBLGNH-WISYIIOYSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH2+]CC1(C)C ZINC000903425135 584765576 /nfs/dbraw/zinc/76/55/76/584765576.db2.gz UFMKWRGDCFLDGX-MNOVXSKESA-N 2 0 211.353 0.526 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000903459262 584765883 /nfs/dbraw/zinc/76/58/83/584765883.db2.gz FOZGXSRPPWNFCI-XQQFMLRXSA-N 3 0 223.364 0.942 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464689 584766146 /nfs/dbraw/zinc/76/61/46/584766146.db2.gz WHAAIEQRGAZIPQ-AGIUHOORSA-N 2 0 225.380 0.772 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903460843 584766410 /nfs/dbraw/zinc/76/64/10/584766410.db2.gz JTOPBZDNRNYUEG-WHOHXGKFSA-N 3 0 211.353 0.925 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CCC2(CC[NH2+]2)CC1 ZINC000903459961 584766814 /nfs/dbraw/zinc/76/68/14/584766814.db2.gz RZUOXTZJDAZYQM-LLVKDONJSA-N 2 0 209.337 0.566 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000903464909 584767305 /nfs/dbraw/zinc/76/73/05/584767305.db2.gz ZOENCKIJKKNECR-LOWDOPEQSA-N 3 0 223.364 0.927 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000903464912 584767641 /nfs/dbraw/zinc/76/76/41/584767641.db2.gz ZOENCKIJKKNECR-RVMXOQNASA-N 3 0 223.364 0.927 20 0 BCADRP CN(C[C@H]1CCC[NH2+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903444988 584769207 /nfs/dbraw/zinc/76/92/07/584769207.db2.gz HIVGEEWVNDWWBH-DAAZQVBGSA-N 2 0 223.364 0.953 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C[C@H]1CCC[NH2+]1 ZINC000903447334 584770856 /nfs/dbraw/zinc/77/08/56/584770856.db2.gz ORWVRLLQCCNCHZ-NEPJUHHUSA-N 2 0 211.353 0.812 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000903448671 584771522 /nfs/dbraw/zinc/77/15/22/584771522.db2.gz IROOAKKVFOQASQ-WYUUTHIRSA-N 2 0 211.353 0.524 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH2+][C@@H](C)[C@H]1C ZINC000903450158 584771691 /nfs/dbraw/zinc/77/16/91/584771691.db2.gz NFUSIDFFKXZTPY-KXNHARMFSA-N 2 0 211.353 0.524 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C[C@H]1CCC[NH2+]1 ZINC000903452632 584771863 /nfs/dbraw/zinc/77/18/63/584771863.db2.gz OSHVOXAKASMDTL-NEPJUHHUSA-N 2 0 211.353 0.942 20 0 BCADRP CC[C@@H]1CN(C[C@@H]2C[NH2+]C[C@H]2C)CC[C@H]1[NH3+] ZINC000903450462 584772103 /nfs/dbraw/zinc/77/21/03/584772103.db2.gz WLIYNHYITRJXQJ-FVCCEPFGSA-N 2 0 225.380 0.901 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000903452337 584772178 /nfs/dbraw/zinc/77/21/78/584772178.db2.gz LEFFVKOBVBAOMV-UMSGYPCISA-N 3 0 223.364 0.798 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000903452334 584772353 /nfs/dbraw/zinc/77/23/53/584772353.db2.gz LEFFVKOBVBAOMV-LOWDOPEQSA-N 3 0 223.364 0.798 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000903453673 584772622 /nfs/dbraw/zinc/77/26/22/584772622.db2.gz HSYGNYNBWOVFSE-OLZOCXBDSA-N 2 0 223.364 0.814 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000903453578 584772780 /nfs/dbraw/zinc/77/27/80/584772780.db2.gz CKSMYWBIPCMTAI-QJPTWQEYSA-N 2 0 209.337 0.422 20 0 BCADRP COC(=O)[C@@H](C)C[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454846 584773118 /nfs/dbraw/zinc/77/31/18/584773118.db2.gz KSYOMYZVIHGZAB-AXFHLTTASA-N 2 0 228.336 0.855 20 0 BCADRP C[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@H](O)C[NH3+] ZINC000903454243 584773151 /nfs/dbraw/zinc/77/31/51/584773151.db2.gz YADMXQACALPFCZ-GFCCVEGCSA-N 2 0 233.315 0.919 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000903454133 584773593 /nfs/dbraw/zinc/77/35/93/584773593.db2.gz VNVVFAMUOQMCNW-WYUUTHIRSA-N 2 0 211.353 0.524 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[NH2+]CC1(C)C ZINC000903454783 584773598 /nfs/dbraw/zinc/77/35/98/584773598.db2.gz JRUFEDWLZCUCCJ-GRYCIOLGSA-N 2 0 225.380 0.820 20 0 BCADRP CC(C)C(=O)NCC[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903455997 584773857 /nfs/dbraw/zinc/77/38/57/584773857.db2.gz BALOSHLQFKFQKX-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000903457085 584773860 /nfs/dbraw/zinc/77/38/60/584773860.db2.gz MYACMCYNTCBMBA-GRYCIOLGSA-N 2 0 235.335 0.380 20 0 BCADRP COC(=O)C[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903455341 584774219 /nfs/dbraw/zinc/77/42/19/584774219.db2.gz UPUZDBHZFNKGAI-WOPDTQHZSA-N 2 0 240.347 0.869 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000903476027 584776555 /nfs/dbraw/zinc/77/65/55/584776555.db2.gz LCFWJQCHGNSJRR-XQHKEYJVSA-N 2 0 223.364 0.668 20 0 BCADRP COC[C@@]1(C)C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903473944 584776618 /nfs/dbraw/zinc/77/66/18/584776618.db2.gz CLLLIVIPMSMUML-FRRDWIJNSA-N 2 0 242.363 0.851 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000903476028 584776765 /nfs/dbraw/zinc/77/67/65/584776765.db2.gz LCFWJQCHGNSJRR-YVECIDJPSA-N 2 0 223.364 0.668 20 0 BCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903474961 584776777 /nfs/dbraw/zinc/77/67/77/584776777.db2.gz WMGDAYIMJWZGSL-WOPDTQHZSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+]CCCN(C[C@H]1CCC[NH2+]1)CC(F)(F)F ZINC000903482775 584778501 /nfs/dbraw/zinc/77/85/01/584778501.db2.gz SFYMVRADQLKMBS-SECBINFHSA-N 2 0 239.285 0.952 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000903482585 584778769 /nfs/dbraw/zinc/77/87/69/584778769.db2.gz LVCUGZKCTDSUPZ-VPOLOUISSA-N 2 0 211.353 0.557 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903482743 584778970 /nfs/dbraw/zinc/77/89/70/584778970.db2.gz RNBQZXZNIBNBFL-FRRDWIJNSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903494306 584780750 /nfs/dbraw/zinc/78/07/50/584780750.db2.gz BOAAAEKTUWGPDE-FRRDWIJNSA-N 3 0 225.380 0.903 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000903560152 584782275 /nfs/dbraw/zinc/78/22/75/584782275.db2.gz VLYJGKOAMIEJTQ-VWYCJHECSA-N 2 0 211.353 0.511 20 0 BCADRP C[C@]1([C@H]2CCC[N@H+](CCC[NH3+])C2)COC(=O)N1 ZINC000903560812 584782353 /nfs/dbraw/zinc/78/23/53/584782353.db2.gz AUUFECPIKWUKEC-CMPLNLGQSA-N 2 0 241.335 0.546 20 0 BCADRP CC1(C)C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]1N ZINC000903556985 584783028 /nfs/dbraw/zinc/78/30/28/584783028.db2.gz JBMZWQQVHAOTRK-MNOVXSKESA-N 3 0 211.353 0.655 20 0 BCADRP C[NH2+]CCN(C[C@@H]1C[C@H](F)C[NH2+]1)C(C)C ZINC000903575920 584784175 /nfs/dbraw/zinc/78/41/75/584784175.db2.gz VZHPBYNNOTVWCE-QWRGUYRKSA-N 2 0 217.332 0.616 20 0 BCADRP C[NH2+]CCN(C[C@H]1CCC2(C[NH2+]C2)O1)C(C)C ZINC000903573619 584784188 /nfs/dbraw/zinc/78/41/88/584784188.db2.gz FBVFFSWWLPNDES-GFCCVEGCSA-N 2 0 241.379 0.437 20 0 BCADRP C[NH2+]CCN(C[C@@H]1CCC2(C[NH2+]C2)O1)C(C)C ZINC000903573620 584784234 /nfs/dbraw/zinc/78/42/34/584784234.db2.gz FBVFFSWWLPNDES-LBPRGKRZSA-N 2 0 241.379 0.437 20 0 BCADRP C[C@@H]1CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC[NH2+]1 ZINC000903716391 584791625 /nfs/dbraw/zinc/79/16/25/584791625.db2.gz LWYMPBCYEKCPEQ-AGIUHOORSA-N 2 0 239.363 0.049 20 0 BCADRP [NH3+]C[C@H]1CCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903716415 584791842 /nfs/dbraw/zinc/79/18/42/584791842.db2.gz MOGABGYLDVHWRL-VXGBXAGGSA-N 2 0 211.353 0.657 20 0 BCADRP C[N@H+](CCC[NH3+])C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718087 584792112 /nfs/dbraw/zinc/79/21/12/584792112.db2.gz ZJSMRKMVKGXEHU-VXGBXAGGSA-N 3 0 227.352 0.036 20 0 BCADRP [NH3+]C[C@H]1CCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903717573 584792170 /nfs/dbraw/zinc/79/21/70/584792170.db2.gz SCQDYJXGQMIJJT-VXGBXAGGSA-N 2 0 211.353 0.799 20 0 BCADRP COC[C@](C)(CCO)[NH2+]C[C@@H]1CCCC[NH2+]C1 ZINC000903732802 584792805 /nfs/dbraw/zinc/79/28/05/584792805.db2.gz HZNKKCFEJAIXHX-OLZOCXBDSA-N 2 0 244.379 0.753 20 0 BCADRP C[C@H](O)CC[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903732293 584792965 /nfs/dbraw/zinc/79/29/65/584792965.db2.gz FARSQWKPVZIEAJ-YNEHKIRRSA-N 2 0 242.363 0.458 20 0 BCADRP C([C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH2+]CC1 ZINC000903713360 584793396 /nfs/dbraw/zinc/79/33/96/584793396.db2.gz OKRMGEGRCSOAOU-GFCCVEGCSA-N 2 0 239.363 0.050 20 0 BCADRP O[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@@H]1F ZINC000903712937 584793552 /nfs/dbraw/zinc/79/35/52/584793552.db2.gz VPNAACSISLSICX-WDEREUQCSA-N 2 0 216.300 0.391 20 0 BCADRP [NH3+][C@@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903713485 584793684 /nfs/dbraw/zinc/79/36/84/584793684.db2.gz SDJSUSPVUNOLHN-VXGBXAGGSA-N 2 0 211.353 0.799 20 0 BCADRP C[C@@H](C[NH3+])N(C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903716217 584794114 /nfs/dbraw/zinc/79/41/14/584794114.db2.gz JRQSMPZFCKMACS-RYUDHWBXSA-N 2 0 241.379 0.424 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000903716194 584794146 /nfs/dbraw/zinc/79/41/46/584794146.db2.gz IUEMKZHMRCDOGL-OUAUKWLOSA-N 2 0 226.320 0.466 20 0 BCADRP COCC(COC)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000903748757 584794991 /nfs/dbraw/zinc/79/49/91/584794991.db2.gz AAPKYSIFEBPRTN-UHFFFAOYSA-N 2 0 242.363 0.723 20 0 BCADRP [NH3+]C1(CNC[C@@H]2CCCC[NH2+]C2)CCC1 ZINC000903743456 584796620 /nfs/dbraw/zinc/79/66/20/584796620.db2.gz LKBQZEUIPKVULZ-LLVKDONJSA-N 2 0 211.353 0.847 20 0 BCADRP CN(C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)CC(C)(C)[NH3+] ZINC000903766880 584797301 /nfs/dbraw/zinc/79/73/01/584797301.db2.gz CLTDXQSJLCSQDT-DGCLKSJQSA-N 2 0 241.379 0.424 20 0 BCADRP C[N@H+](CCOCC[NH3+])Cc1cnn(CCF)c1 ZINC000903769507 584797911 /nfs/dbraw/zinc/79/79/11/584797911.db2.gz HYVKNXJSQDWUCR-UHFFFAOYSA-N 2 0 244.314 0.260 20 0 BCADRP c1ncn([C@H]2CC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)n1 ZINC000903755424 584798612 /nfs/dbraw/zinc/79/86/12/584798612.db2.gz GYRVHRMEWKGYSM-STQMWFEESA-N 2 0 249.362 0.915 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903781874 584799621 /nfs/dbraw/zinc/79/96/21/584799621.db2.gz WNRCJDDQOSGQBC-HZSPNIEDSA-N 2 0 237.391 0.917 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903778647 584799942 /nfs/dbraw/zinc/79/99/42/584799942.db2.gz QJQXIFQQOKQYIH-XQHKEYJVSA-N 2 0 239.363 0.177 20 0 BCADRP OC[C@H]1CCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903785504 584800486 /nfs/dbraw/zinc/80/04/86/584800486.db2.gz ZOMZHRSFTHTGBK-FRRDWIJNSA-N 2 0 240.347 0.212 20 0 BCADRP [NH3+]CCOCCN1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903799996 584801607 /nfs/dbraw/zinc/80/16/07/584801607.db2.gz FUBCXGPVODSZNC-VXGBXAGGSA-N 2 0 227.352 0.165 20 0 BCADRP [NH3+]C[C@]12CC[C@H]1CCCN2C[C@@H]1C[NH2+]CCO1 ZINC000903801470 584802137 /nfs/dbraw/zinc/80/21/37/584802137.db2.gz NPAFSTFMMDGMMB-FRRDWIJNSA-N 2 0 239.363 0.178 20 0 BCADRP C[NH2+]CCCN1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903802286 584802342 /nfs/dbraw/zinc/80/23/42/584802342.db2.gz RNGCUZKTGHETHN-RYUDHWBXSA-N 2 0 211.353 0.799 20 0 BCADRP [NH3+]C[C@@]12CC[C@H]1CCCN2C[C@H]1CCC[NH2+]1 ZINC000903806657 584802660 /nfs/dbraw/zinc/80/26/60/584802660.db2.gz ZOGPNMCRBDTHPH-UPJWGTAASA-N 2 0 223.364 0.942 20 0 BCADRP [NH3+]CCCCCC[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000903829611 584805440 /nfs/dbraw/zinc/80/54/40/584805440.db2.gz IIBXPDGVAUUPTE-QWHCGFSZSA-N 2 0 242.363 0.995 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)C1 ZINC000903829755 584805540 /nfs/dbraw/zinc/80/55/40/584805540.db2.gz JNYPJOXSOHDGPW-QNWHQSFQSA-N 2 0 240.347 0.604 20 0 BCADRP OCC[C@@H]1COCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000903829146 584805546 /nfs/dbraw/zinc/80/55/46/584805546.db2.gz AUYQVYOJDBYYOS-CHWSQXEVSA-N 2 0 242.363 0.459 20 0 BCADRP C[C@@H]1CSCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000903829389 584805807 /nfs/dbraw/zinc/80/58/07/584805807.db2.gz FQEDSPQLXKTIPM-GFCCVEGCSA-N 2 0 243.420 0.719 20 0 BCADRP COCC[C@H]1C[NH2+]CCN1CCCCCC[NH3+] ZINC000903837218 584806525 /nfs/dbraw/zinc/80/65/25/584806525.db2.gz FXYMLLIIVHCVBH-ZDUSSCGKSA-N 2 0 243.395 0.816 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C[C@@H]1C[C@H](F)C[NH2+]1)C2 ZINC000903839820 584807243 /nfs/dbraw/zinc/80/72/43/584807243.db2.gz NXGKQCTZERGESO-HTFCKZLJSA-N 2 0 227.327 0.498 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H](O)C(F)(F)F)C2 ZINC000903844031 584807569 /nfs/dbraw/zinc/80/75/69/584807569.db2.gz ZULHLLYEXIROOH-XSPKLOCKSA-N 2 0 238.253 0.721 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC[NH2+]CC1)C2 ZINC000903843364 584807697 /nfs/dbraw/zinc/80/76/97/584807697.db2.gz JKWOURWODYQSKZ-AVGNSLFASA-N 3 0 223.364 0.798 20 0 BCADRP NC[C@]12CC[C@@H]1CC[N@@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903861213 584811912 /nfs/dbraw/zinc/81/19/12/584811912.db2.gz WFONAOPRHVIMDU-FVCCEPFGSA-N 2 0 223.364 0.927 20 0 BCADRP c1nc2n(n1)[C@H](CN1CCC[C@]13CC[NH2+]C3)CC2 ZINC000903869122 584813671 /nfs/dbraw/zinc/81/36/71/584813671.db2.gz BOYAQDTYENWQPO-WCQYABFASA-N 2 0 247.346 0.593 20 0 BCADRP CN(C[C@H]([NH3+])CC(F)F)[C@@H]1CCCCNC1=O ZINC000903889417 584814071 /nfs/dbraw/zinc/81/40/71/584814071.db2.gz RTWFHPDSAQJPEO-RKDXNWHRSA-N 2 0 249.305 0.569 20 0 BCADRP C(C[N@@H+]1CCC[C@@]12CC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000903869888 584814718 /nfs/dbraw/zinc/81/47/18/584814718.db2.gz KFVOMNYXKXYLHL-OLZOCXBDSA-N 3 0 223.364 0.814 20 0 BCADRP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCCC2)cnn1C ZINC000903872055 584815141 /nfs/dbraw/zinc/81/51/41/584815141.db2.gz CAVWVWOFESNXAW-LBPRGKRZSA-N 2 0 236.363 0.942 20 0 BCADRP [NH3+][C@H](CC(F)F)CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000903873014 584815335 /nfs/dbraw/zinc/81/53/35/584815335.db2.gz DCUGQNDNEIOTSM-PSASIEDQSA-N 2 0 233.306 0.795 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CCC[C@@]23CC[NH2+]C3)C1 ZINC000903871833 584815539 /nfs/dbraw/zinc/81/55/39/584815539.db2.gz WDXAFQNUFBGACO-SRVKXCTJSA-N 2 0 227.327 0.514 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(C[C@@H]([NH3+])CC(F)F)CCO1 ZINC000903873911 584815692 /nfs/dbraw/zinc/81/56/92/584815692.db2.gz NZGOUFFRTZORFF-XHNCKOQMSA-N 2 0 237.294 0.017 20 0 BCADRP C[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)CC[NH2+]1 ZINC000903873704 584815797 /nfs/dbraw/zinc/81/57/97/584815797.db2.gz KXBRTXUGAGXYJQ-SFYZADRCSA-N 2 0 207.268 0.263 20 0 BCADRP CN(C[C@H]([NH3+])CC(F)F)[C@@H]1CC[NH2+]C1 ZINC000903873999 584815853 /nfs/dbraw/zinc/81/58/53/584815853.db2.gz QGPHYAATQRNGAF-HTQZYQBOSA-N 2 0 207.268 0.263 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903874264 584816125 /nfs/dbraw/zinc/81/61/25/584816125.db2.gz WQRIBXWYJXNXFI-CIUDSAMLSA-N 2 0 221.295 0.638 20 0 BCADRP C[NH2+]CC1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903874321 584816222 /nfs/dbraw/zinc/81/62/22/584816222.db2.gz XYJKCXXCIYUQLK-JTQLQIEISA-N 2 0 235.322 0.900 20 0 BCADRP CC1(C)C[NH2+]CCN1C[C@H]([NH3+])CC(F)F ZINC000903873970 584816239 /nfs/dbraw/zinc/81/62/39/584816239.db2.gz PQKISRCXNKMGEU-MRVPVSSYSA-N 2 0 221.295 0.653 20 0 BCADRP CC[NH+](CC)CCCN1CC[NH2+]C[C@H]1COC ZINC000903881258 584817856 /nfs/dbraw/zinc/81/78/56/584817856.db2.gz PNZNVNHTRIKXSM-ZDUSSCGKSA-N 2 0 243.395 0.639 20 0 BCADRP COC[C@@H]1C[NH2+]CCN1C[C@H]1CCCC[NH2+]C1 ZINC000903883163 584818373 /nfs/dbraw/zinc/81/83/73/584818373.db2.gz UFSVCIQUUMRSQQ-STQMWFEESA-N 2 0 241.379 0.296 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN(CCCO)C1CC1 ZINC000903893757 584818672 /nfs/dbraw/zinc/81/86/72/584818672.db2.gz ZBGWRXYGNAVVKW-QMMMGPOBSA-N 2 0 222.279 0.816 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000903895226 584820086 /nfs/dbraw/zinc/82/00/86/584820086.db2.gz LSOUMTIIYIDRLB-IVZWLZJFSA-N 2 0 233.306 0.653 20 0 BCADRP C[C@@H](O)C(C)(C)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903902526 584820931 /nfs/dbraw/zinc/82/09/31/584820931.db2.gz IPNRQNPAFGEOAW-RQJHMYQMSA-N 2 0 210.268 0.718 20 0 BCADRP CC(C)[C@H]1CN(C[C@H]([NH3+])CC(F)F)CC[NH2+]1 ZINC000903906350 584820995 /nfs/dbraw/zinc/82/09/95/584820995.db2.gz VPZDUSFASKQGRY-NXEZZACHSA-N 2 0 235.322 0.899 20 0 BCADRP CC(C)[C@H]1CN(C[C@@H]([NH3+])CC(F)F)CC[NH2+]1 ZINC000903906352 584821186 /nfs/dbraw/zinc/82/11/86/584821186.db2.gz VPZDUSFASKQGRY-VHSXEESVSA-N 2 0 235.322 0.899 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC[C@H]([NH3+])CC(F)F ZINC000903920001 584822891 /nfs/dbraw/zinc/82/28/91/584822891.db2.gz RCQUTLCCZRFZCQ-HTQZYQBOSA-N 3 0 223.311 0.932 20 0 BCADRP [NH3+][C@H](CNCCC[NH2+]C1CC1)CC(F)F ZINC000903920529 584822949 /nfs/dbraw/zinc/82/29/49/584822949.db2.gz VTWKJDJTKKDSFH-QMMMGPOBSA-N 2 0 221.295 0.701 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC[C@@H]([NH3+])CC(F)F ZINC000903920004 584823102 /nfs/dbraw/zinc/82/31/02/584823102.db2.gz RCQUTLCCZRFZCQ-YUMQZZPRSA-N 3 0 223.311 0.932 20 0 BCADRP C[C@@H](Cn1cncn1)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903922765 584823627 /nfs/dbraw/zinc/82/36/27/584823627.db2.gz DNKUZYGFKISOHF-WODVXLOZSA-N 2 0 249.362 0.787 20 0 BCADRP C[C@H](Cn1cccn1)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903923579 584823976 /nfs/dbraw/zinc/82/39/76/584823976.db2.gz XQLKIFGBAUEYQR-RKDXNWHRSA-N 2 0 232.278 0.844 20 0 BCADRP C[C@@H]1CC[C@@H](NC[C@H]([NH3+])CC(F)F)C[NH2+]1 ZINC000903936204 584825627 /nfs/dbraw/zinc/82/56/27/584825627.db2.gz ZECKYYLBJJQYAG-IWSPIJDZSA-N 2 0 221.295 0.699 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@H]([NH3+])CC(F)F ZINC000903917055 584826803 /nfs/dbraw/zinc/82/68/03/584826803.db2.gz KFLKQPLFTSTXRS-CIUDSAMLSA-N 2 0 239.285 0.601 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000903916168 584826879 /nfs/dbraw/zinc/82/68/79/584826879.db2.gz FRPRTDGTWOFYCR-BBBLOLIVSA-N 2 0 233.306 0.653 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H]([NH3+])CC(F)F ZINC000903917057 584827020 /nfs/dbraw/zinc/82/70/20/584827020.db2.gz KFLKQPLFTSTXRS-YIZRAAEISA-N 2 0 239.285 0.601 20 0 BCADRP CN(C[C@@H]([NH3+])CC(F)F)C1CC([NH3+])C1 ZINC000903918142 584827091 /nfs/dbraw/zinc/82/70/91/584827091.db2.gz SZTFBTUQHSGBTO-WTIBDHCWSA-N 2 0 207.268 0.390 20 0 BCADRP COC[C@@H]([NH2+]CCC[NH3+])[C@@H]1CCCOC1 ZINC000903959418 584827401 /nfs/dbraw/zinc/82/74/01/584827401.db2.gz HTMDXAXZQRETLP-GHMZBOCLSA-N 2 0 216.325 0.366 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000903958012 584827430 /nfs/dbraw/zinc/82/74/30/584827430.db2.gz VOGKYZAUFGPALR-HBNTYKKESA-N 2 0 247.333 0.819 20 0 BCADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]C1CCOCC1 ZINC000903956987 584827563 /nfs/dbraw/zinc/82/75/63/584827563.db2.gz OMRSBKJAQQCRBF-SECBINFHSA-N 2 0 234.290 1.000 20 0 BCADRP CC(C)[C@@H](C[NH3+])CNCCC(C)(C)[NH3+] ZINC000903939658 584828963 /nfs/dbraw/zinc/82/89/63/584828963.db2.gz KWDXXOVLZZJOFS-JTQLQIEISA-N 2 0 201.358 0.934 20 0 BCADRP CCC1([NH3+])CCN([C@@H]2CCC[NH2+]C2)CC1 ZINC000903946689 584829570 /nfs/dbraw/zinc/82/95/70/584829570.db2.gz ZZOPTQLXTMUUGN-LLVKDONJSA-N 2 0 211.353 0.942 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCCn3nncc3C2)CC[NH2+]1 ZINC000903951354 584830957 /nfs/dbraw/zinc/83/09/57/584830957.db2.gz WPGQUQMRBSIZJC-VXGBXAGGSA-N 2 0 249.362 0.872 20 0 BCADRP FC1(F)CC[NH2+]C[C@@H]1CNC[C@]12C[C@H]1C[NH2+]C2 ZINC000903956212 584831955 /nfs/dbraw/zinc/83/19/55/584831955.db2.gz IZBUMOFALWVGHM-HBNTYKKESA-N 2 0 245.317 0.430 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1nccn1C ZINC000903974163 584832679 /nfs/dbraw/zinc/83/26/79/584832679.db2.gz KQIXSDDHMPIUHH-GHMZBOCLSA-N 2 0 222.336 0.755 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC000903979253 584833345 /nfs/dbraw/zinc/83/33/45/584833345.db2.gz ZLWSVYYXVYSOTC-NDBYEHHHSA-N 3 0 223.364 0.431 20 0 BCADRP [NH3+][C@@H]1CN(CC23CC(C2)C[NH2+]3)C[C@H]1C(F)(F)F ZINC000903982870 584833427 /nfs/dbraw/zinc/83/34/27/584833427.db2.gz XWXCDWKMJGVXHD-DSAQSWLYSA-N 2 0 249.280 0.560 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000903963702 584833593 /nfs/dbraw/zinc/83/35/93/584833593.db2.gz GLFBJNFFACWDBB-DDHJBXDOSA-N 3 0 211.353 0.572 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@H]1CCCOC1 ZINC000903963973 584833883 /nfs/dbraw/zinc/83/38/83/584833883.db2.gz BRVNNKXQKGWGID-UTUOFQBUSA-N 2 0 212.337 0.858 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc2cnccn12 ZINC000903964932 584834766 /nfs/dbraw/zinc/83/47/66/584834766.db2.gz UTPRVQPZCLLSHI-MNOVXSKESA-N 2 0 245.330 0.674 20 0 BCADRP CC[C@@H](COC)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968026 584835132 /nfs/dbraw/zinc/83/51/32/584835132.db2.gz PQWCREFICZNFCI-VWYCJHECSA-N 2 0 200.326 0.857 20 0 BCADRP CC(C)[C@@H](C[NH3+])CNC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967487 584835237 /nfs/dbraw/zinc/83/52/37/584835237.db2.gz JYPSKCQXQFJMDO-WOPDTQHZSA-N 2 0 213.369 0.662 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(N)nc1 ZINC000903968385 584835244 /nfs/dbraw/zinc/83/52/44/584835244.db2.gz UNLFHGFYJUXRGZ-KOLCDFICSA-N 2 0 220.320 0.609 20 0 BCADRP CC1(C)CN(CC23CC(C2)C[NH2+]3)C[C@H]1[NH3+] ZINC000903986935 584835407 /nfs/dbraw/zinc/83/54/07/584835407.db2.gz UASQNEQHYFMKSN-SQLBVSGCSA-N 2 0 209.337 0.408 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903986282 584835499 /nfs/dbraw/zinc/83/54/99/584835499.db2.gz IPRBCMWNVZJGDB-GHMZBOCLSA-N 2 0 213.369 0.886 20 0 BCADRP C[C@]1(C[N@@H+]2CC[C@@H](CO)C2)CCC[NH2+]C1 ZINC000904315875 584860093 /nfs/dbraw/zinc/86/00/93/584860093.db2.gz GAUVBINWOMSRLY-NEPJUHHUSA-N 2 0 212.337 0.690 20 0 BCADRP C[C@@]1(CN2CC[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904300017 584860423 /nfs/dbraw/zinc/86/04/23/584860423.db2.gz UKBJMZBEXMAEJW-NWDGAFQWSA-N 2 0 211.353 0.657 20 0 BCADRP C[C@]1(CN2CC[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904300016 584860521 /nfs/dbraw/zinc/86/05/21/584860521.db2.gz UKBJMZBEXMAEJW-NEPJUHHUSA-N 2 0 211.353 0.657 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299472 584860716 /nfs/dbraw/zinc/86/07/16/584860716.db2.gz FKPGNAUKMZZHKE-SDDRHHMPSA-N 3 0 211.353 0.655 20 0 BCADRP Nc1ccc(C[NH+]2CCC(C[NH3+])CC2)nn1 ZINC000904299656 584860933 /nfs/dbraw/zinc/86/09/33/584860933.db2.gz KZQDHOZVTRUVEC-UHFFFAOYSA-N 2 0 221.308 0.230 20 0 BCADRP CCOC(=O)[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904301520 584861163 /nfs/dbraw/zinc/86/11/63/584861163.db2.gz MWIFNWWQYPWOIJ-UTUOFQBUSA-N 2 0 240.347 0.999 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(C[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000904301703 584861329 /nfs/dbraw/zinc/86/13/29/584861329.db2.gz PGMVRECUQXFJBD-RWMBFGLXSA-N 2 0 241.379 0.424 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(C[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000904301705 584861876 /nfs/dbraw/zinc/86/18/76/584861876.db2.gz PGMVRECUQXFJBD-YNEHKIRRSA-N 2 0 241.379 0.424 20 0 BCADRP CCNC(=O)CN(CC)C[C@]1(C)CCC[NH2+]C1 ZINC000904304004 584862108 /nfs/dbraw/zinc/86/21/08/584862108.db2.gz ORTOTJSLQPVWKK-CYBMUJFWSA-N 2 0 241.379 0.834 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000904302859 584862119 /nfs/dbraw/zinc/86/21/19/584862119.db2.gz ZWPFWGAYIRZVST-KIJLLGNVSA-N 3 0 223.364 0.783 20 0 BCADRP CCC[C@H]1CNCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904301715 584862195 /nfs/dbraw/zinc/86/21/95/584862195.db2.gz PNLZWMAZEKTWJX-TUAOUCFPSA-N 2 0 211.353 0.798 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904310211 584862521 /nfs/dbraw/zinc/86/25/21/584862521.db2.gz YBLZQTHEZPYIFW-DGCLKSJQSA-N 2 0 240.347 0.871 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000904309281 584862569 /nfs/dbraw/zinc/86/25/69/584862569.db2.gz GKPRPEADCRDFOI-JFGNBEQYSA-N 2 0 237.347 0.467 20 0 BCADRP NC(=O)C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000904307998 584862572 /nfs/dbraw/zinc/86/25/72/584862572.db2.gz ZTCSFZITMHYSLB-AOOOYVTPSA-N 2 0 225.336 0.454 20 0 BCADRP COC(=O)C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C(C)C ZINC000904310098 584862838 /nfs/dbraw/zinc/86/28/38/584862838.db2.gz WCAWDKSNCUETJM-AOOOYVTPSA-N 2 0 214.309 0.607 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(CC(F)F)CC2)C1 ZINC000904314494 584863173 /nfs/dbraw/zinc/86/31/73/584863173.db2.gz ZCZHHMAIOQUJRI-AOOOYVTPSA-N 2 0 233.306 0.606 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(c3cccnn3)CC2)C1 ZINC000904316342 584863338 /nfs/dbraw/zinc/86/33/38/584863338.db2.gz LYHQSEYTIFDLCK-TXEJJXNPSA-N 2 0 247.346 0.336 20 0 BCADRP C[C@@H](O)C[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904337064 584863440 /nfs/dbraw/zinc/86/34/40/584863440.db2.gz ZORYTXDWIOWKBA-GHMZBOCLSA-N 2 0 200.326 0.689 20 0 BCADRP CCCC[N@@H+](CC(N)=O)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313231 584863693 /nfs/dbraw/zinc/86/36/93/584863693.db2.gz XGJRTGTXNBPXBM-AOOOYVTPSA-N 2 0 213.325 0.311 20 0 BCADRP NC(=O)C[N@@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904320485 584863909 /nfs/dbraw/zinc/86/39/09/584863909.db2.gz JCJUHRKZCMIAKC-BETUJISGSA-N 2 0 247.342 0.711 20 0 BCADRP COCC[N@H+](CCC(=O)OC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321681 584864479 /nfs/dbraw/zinc/86/44/79/584864479.db2.gz BSFGQXABUOUOGK-PHIMTYICSA-N 2 0 244.335 0.235 20 0 BCADRP [NH3+][C@H]1C[C@@H](CN2C[C@@H]3CCC[NH2+][C@@H]3C2)C1 ZINC000904321903 584864963 /nfs/dbraw/zinc/86/49/63/584864963.db2.gz JVHPEHUGPTUCAV-NNYUYHANSA-N 2 0 209.337 0.408 20 0 BCADRP CCC[C@@H]1C(=O)NCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904326984 584865323 /nfs/dbraw/zinc/86/53/23/584865323.db2.gz VPVBZEKSUYMULW-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP CNC(=O)[C@H](C)C[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904327016 584865462 /nfs/dbraw/zinc/86/54/62/584865462.db2.gz XAFSXECOFIQRFC-DGCLKSJQSA-N 2 0 241.379 0.690 20 0 BCADRP CNC(=O)CCC[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904325244 584865542 /nfs/dbraw/zinc/86/55/42/584865542.db2.gz UFQXGCLVGMTSSM-ZDUSSCGKSA-N 2 0 241.379 0.834 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@@H](C(F)F)C2)C1 ZINC000904338839 584866035 /nfs/dbraw/zinc/86/60/35/584866035.db2.gz WEBCQTDPAWFDTI-HRDYMLBCSA-N 2 0 220.263 0.690 20 0 BCADRP [NH3+]Cc1ccc(CN2CCO[C@@H](C[NH3+])C2)cc1 ZINC000904332524 584866140 /nfs/dbraw/zinc/86/61/40/584866140.db2.gz QSQFDSIAQGSVFH-ZDUSSCGKSA-N 2 0 235.331 0.305 20 0 BCADRP [NH3+]Cc1ccc(CN2CCO[C@H](C[NH3+])C2)cc1 ZINC000904332523 584866216 /nfs/dbraw/zinc/86/62/16/584866216.db2.gz QSQFDSIAQGSVFH-CYBMUJFWSA-N 2 0 235.331 0.305 20 0 BCADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCO[C@@H](C[NH3+])C1 ZINC000904333225 584866539 /nfs/dbraw/zinc/86/65/39/584866539.db2.gz VIERVLVMHAYLQV-NEPJUHHUSA-N 2 0 243.395 0.800 20 0 BCADRP [NH3+]Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000904334504 584866559 /nfs/dbraw/zinc/86/65/59/584866559.db2.gz YAYAVMUXOSQSBP-OKILXGFUSA-N 3 0 231.343 0.797 20 0 BCADRP CC[C@@]1(CO)CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904340575 584866585 /nfs/dbraw/zinc/86/65/85/584866585.db2.gz JOIHZNVOKYFBCT-TUAOUCFPSA-N 2 0 212.337 0.961 20 0 BCADRP C[C@]1(CN2C[C@H]3C[NH2+]C[C@H]3C2)CCC[NH2+]C1 ZINC000904334560 584866738 /nfs/dbraw/zinc/86/67/38/584866738.db2.gz ZCDKXUMVEDYCQD-XQQFMLRXSA-N 2 0 223.364 0.527 20 0 BCADRP C[N@H+](CCOCCO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904342264 584867490 /nfs/dbraw/zinc/86/74/90/584867490.db2.gz BCMQVSKJSGLDSV-LBPRGKRZSA-N 2 0 230.352 0.317 20 0 BCADRP COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345304 584868111 /nfs/dbraw/zinc/86/81/11/584868111.db2.gz CSOHYRMJIRISLQ-YFKTTZPYSA-N 2 0 240.347 0.997 20 0 BCADRP CC[C@@H](C)[N@@H+](CC(=O)OC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904346612 584868346 /nfs/dbraw/zinc/86/83/46/584868346.db2.gz WHPNQLBLVCUJTG-MXWKQRLJSA-N 2 0 228.336 0.997 20 0 BCADRP COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345300 584868568 /nfs/dbraw/zinc/86/85/68/584868568.db2.gz CSOHYRMJIRISLQ-NNYUYHANSA-N 2 0 240.347 0.997 20 0 BCADRP CN(Cc1ccc(C[NH3+])cc1)C1C[NH2+]C1 ZINC000904350659 584869174 /nfs/dbraw/zinc/86/91/74/584869174.db2.gz OJSGTZUJSCXRNE-UHFFFAOYSA-N 2 0 205.305 0.549 20 0 BCADRP COCC[NH2+]CCNCc1ccc(C[NH3+])cc1 ZINC000904353422 584869951 /nfs/dbraw/zinc/86/99/51/584869951.db2.gz MHTMJXWWBNMQSX-UHFFFAOYSA-N 2 0 237.347 0.471 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+]CC2([NH3+])CCCCC2)C1 ZINC000904353840 584870187 /nfs/dbraw/zinc/87/01/87/584870187.db2.gz SKEWYOMKOMPBJM-PHIMTYICSA-N 3 0 211.353 0.975 20 0 BCADRP [NH3+]CC1CC([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000904354319 584870308 /nfs/dbraw/zinc/87/03/08/584870308.db2.gz FPMROENXWXBPMN-ILDUYXDCSA-N 3 0 209.337 0.455 20 0 BCADRP C[C@]1(CN[C@@H](CC[NH3+])C(F)F)CCC[NH2+]C1 ZINC000904355118 584870650 /nfs/dbraw/zinc/87/06/50/584870650.db2.gz NVAALVUKBUTKTP-ONGXEEELSA-N 2 0 235.322 0.948 20 0 BCADRP C[C@]1(CN[C@@H]2C[NH2+]CCC2(F)F)CCC[NH2+]C1 ZINC000904354649 584870789 /nfs/dbraw/zinc/87/07/89/584870789.db2.gz IGQIIXXETFWIKS-MNOVXSKESA-N 2 0 247.333 0.963 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904354680 584870908 /nfs/dbraw/zinc/87/09/08/584870908.db2.gz JCSWKKQWVMRCCX-GFCCVEGCSA-N 3 0 242.411 0.517 20 0 BCADRP Nc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)nn1 ZINC000904354832 584870928 /nfs/dbraw/zinc/87/09/28/584870928.db2.gz JNOYYZNXJYQWFO-BDAKNGLRSA-N 2 0 221.308 0.276 20 0 BCADRP CC[C@H]([NH3+])CNCc1ccc(C[NH3+])cc1 ZINC000904355599 584871162 /nfs/dbraw/zinc/87/11/62/584871162.db2.gz UOUCTZDQDBEIKR-LBPRGKRZSA-N 2 0 207.321 0.972 20 0 BCADRP [NH3+]CCN1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000904356082 584871250 /nfs/dbraw/zinc/87/12/50/584871250.db2.gz SVGJLOOMPHHRKV-YPMHNXCESA-N 3 0 240.395 0.269 20 0 BCADRP C[C@@H]1NCCC[C@@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904356599 584871253 /nfs/dbraw/zinc/87/12/53/584871253.db2.gz XAUTYIOVTBFSPK-AAEUAGOBSA-N 2 0 240.395 0.140 20 0 BCADRP CNC(=O)c1cccc(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904359833 584871598 /nfs/dbraw/zinc/87/15/98/584871598.db2.gz DVWPBFKIRWHGIS-BJHJDKERSA-N 2 0 247.342 0.873 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+]CCCOC[C@@H]2CCCO2)C1 ZINC000904360485 584871664 /nfs/dbraw/zinc/87/16/64/584871664.db2.gz LHIXYSXSKRZVOB-XQQFMLRXSA-N 2 0 242.363 0.899 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000904357757 584872073 /nfs/dbraw/zinc/87/20/73/584872073.db2.gz AWENCCJXZFOWHU-GRYCIOLGSA-N 3 0 223.364 0.988 20 0 BCADRP C[C@H]([NH2+]C1CC(C[NH3+])C1)[C@H](C)N1CCOCC1 ZINC000904361934 584872095 /nfs/dbraw/zinc/87/20/95/584872095.db2.gz CLINALOAMJZTTO-ZSVAQUKISA-N 2 0 241.379 0.423 20 0 BCADRP [NH3+]CC1CC([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000904358956 584872293 /nfs/dbraw/zinc/87/22/93/584872293.db2.gz VMBGKEFSDHLTDV-CXQJBGSLSA-N 3 0 223.364 0.988 20 0 BCADRP [NH3+]CC1CC([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000904358957 584872325 /nfs/dbraw/zinc/87/23/25/584872325.db2.gz VMBGKEFSDHLTDV-MOENNCHZSA-N 3 0 223.364 0.988 20 0 BCADRP C[NH2+]CCCN(C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904372532 584873696 /nfs/dbraw/zinc/87/36/96/584873696.db2.gz DUWVYLOUHMCVQS-LBPRGKRZSA-N 2 0 213.369 0.917 20 0 BCADRP CC(C)[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCC(=O)N1 ZINC000904373242 584873705 /nfs/dbraw/zinc/87/37/05/584873705.db2.gz NEBHLHKAXFDFEK-TUAOUCFPSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)N1CC[C@@H]([NH2+]C2CC(C[NH3+])C2)C1=O ZINC000904363454 584874324 /nfs/dbraw/zinc/87/43/24/584874324.db2.gz FXHFGSUXNIQGGD-VQXHTEKXSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H](Cn1cccn1)[NH2+]C1CC(C[NH3+])C1 ZINC000904364355 584874364 /nfs/dbraw/zinc/87/43/64/584874364.db2.gz WCENFASQJSTXTH-WHXUTIOJSA-N 2 0 208.309 0.599 20 0 BCADRP C[C@]1(C[NH2+]CCn2ccnc2)CCC[NH2+]C1 ZINC000904365296 584874943 /nfs/dbraw/zinc/87/49/43/584874943.db2.gz YNPGQLXNWTYTCS-LBPRGKRZSA-N 2 0 222.336 0.862 20 0 BCADRP CCOC(=O)[C@@H]1CC[N@H+](CCC[NH3+])C1 ZINC000904389338 584875202 /nfs/dbraw/zinc/87/52/02/584875202.db2.gz KOXSUSLYNUWJMM-SECBINFHSA-N 2 0 200.282 0.220 20 0 BCADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1COCCO1 ZINC000904377773 584876037 /nfs/dbraw/zinc/87/60/37/584876037.db2.gz YOSPCGAPUWLHNE-AXFHLTTASA-N 2 0 214.309 0.071 20 0 BCADRP C[N@H+](CCOCC[NH3+])Cc1ccc(C[NH3+])cc1 ZINC000904381165 584876579 /nfs/dbraw/zinc/87/65/79/584876579.db2.gz KZWNNTPSFWTKGA-UHFFFAOYSA-N 3 0 237.347 0.552 20 0 BCADRP C[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1CO ZINC000904379937 584876601 /nfs/dbraw/zinc/87/66/01/584876601.db2.gz FWYVRZSDAFQASL-NNYUYHANSA-N 2 0 212.337 0.674 20 0 BCADRP C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1CO ZINC000904379938 584876862 /nfs/dbraw/zinc/87/68/62/584876862.db2.gz FWYVRZSDAFQASL-WYUUTHIRSA-N 2 0 212.337 0.674 20 0 BCADRP C[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1CO ZINC000904379935 584876883 /nfs/dbraw/zinc/87/68/83/584876883.db2.gz FWYVRZSDAFQASL-FIQHERPVSA-N 2 0 212.337 0.674 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000904381790 584877077 /nfs/dbraw/zinc/87/70/77/584877077.db2.gz UTIHZWIMXZWOMN-TUAOUCFPSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@H]([NH2+]C1CC(C[NH3+])C1)c1nnnn1C1CC1 ZINC000904384288 584877232 /nfs/dbraw/zinc/87/72/32/584877232.db2.gz JKARGTGZIWRIOG-UEJVZZJDSA-N 2 0 236.323 0.396 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C[C@H]3C[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000904384293 584877376 /nfs/dbraw/zinc/87/73/76/584877376.db2.gz JMZZFACEAYGETM-RVMXOQNASA-N 2 0 223.364 0.750 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C[C@@]1(C)CCC[NH2+]C1)C2 ZINC000904384668 584877476 /nfs/dbraw/zinc/87/74/76/584877476.db2.gz LKFZNLZRGINIKE-MELADBBJSA-N 2 0 237.391 0.917 20 0 BCADRP [NH3+][C@H]1C[C@@H](CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000904388135 584877896 /nfs/dbraw/zinc/87/78/96/584877896.db2.gz DPNSGJXFBUZWDD-BZNPZCIMSA-N 2 0 237.269 0.545 20 0 BCADRP COC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCOC1 ZINC000904385973 584877965 /nfs/dbraw/zinc/87/79/65/584877965.db2.gz LSLABXYHGIVALP-FVCCEPFGSA-N 2 0 242.363 0.755 20 0 BCADRP CC(C)[C@@H](C[NH3+])C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904407101 584878635 /nfs/dbraw/zinc/87/86/35/584878635.db2.gz NIJKLFFJXXCCQK-RYUDHWBXSA-N 3 0 213.369 0.888 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ccc(N)nn2)CC[C@@H]1C[NH3+] ZINC000904409586 584879224 /nfs/dbraw/zinc/87/92/24/584879224.db2.gz CWTRJHVOHLVTIE-NXEZZACHSA-N 2 0 235.335 0.476 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1CCC[C@]([NH3+])(CO)C1 ZINC000904407646 584879298 /nfs/dbraw/zinc/87/92/98/584879298.db2.gz YAACFAAILYXCEI-VXGBXAGGSA-N 2 0 229.368 0.145 20 0 BCADRP c1cc(C[NH2+][C@H]2CNOC2)c2c(c1)C[NH2+]CC2 ZINC000904423780 584880221 /nfs/dbraw/zinc/88/02/21/584880221.db2.gz GVSMTMCKXHMONZ-LBPRGKRZSA-N 2 0 233.315 0.325 20 0 BCADRP c1cc2c(cc1C[NH2+][C@@H]1CNOC1)C[NH2+]CC2 ZINC000904423811 584880510 /nfs/dbraw/zinc/88/05/10/584880510.db2.gz IHRAIXKXPIGJAV-CYBMUJFWSA-N 2 0 233.315 0.325 20 0 BCADRP C[C@@]1(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC000904420710 584881902 /nfs/dbraw/zinc/88/19/02/584881902.db2.gz UQIRLNVYMSHBGK-YNEHKIRRSA-N 2 0 223.364 0.527 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[NH2+]1 ZINC000904420506 584882006 /nfs/dbraw/zinc/88/20/06/584882006.db2.gz QVLCJRVHZZFPTH-ZOBORPQBSA-N 3 0 237.391 0.916 20 0 BCADRP CC(C)([NH3+])CNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876538605 584886217 /nfs/dbraw/zinc/88/62/17/584886217.db2.gz KZSXFEHCQZVNRK-WWQCOOJYSA-N 2 0 225.336 0.396 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876749393 584887024 /nfs/dbraw/zinc/88/70/24/584887024.db2.gz NIHIEIVBRVSWCS-WDEREUQCSA-N 2 0 245.342 0.390 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000876792461 584887183 /nfs/dbraw/zinc/88/71/83/584887183.db2.gz WHGNWXDTHSKFJP-LPEHRKFASA-N 2 0 225.336 0.213 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876790847 584887350 /nfs/dbraw/zinc/88/73/50/584887350.db2.gz ZYWWGKBZEARKKO-XMXMHJJKSA-N 2 0 237.347 0.363 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000876864198 584887478 /nfs/dbraw/zinc/88/74/78/584887478.db2.gz LCHSZDXUFSFUSL-IUCAKERBSA-N 2 0 245.273 0.147 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000876933891 584888075 /nfs/dbraw/zinc/88/80/75/584888075.db2.gz ABKRUXHWMDYCEX-YWVKMMECSA-N 2 0 213.325 0.371 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000876964053 584888297 /nfs/dbraw/zinc/88/82/97/584888297.db2.gz QKDDTCXOTAFOQZ-ZJUUUORDSA-N 2 0 239.363 0.748 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000876979895 584888548 /nfs/dbraw/zinc/88/85/48/584888548.db2.gz BHWQZJKFYCELRS-SBMIAAHKSA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000876996734 584888796 /nfs/dbraw/zinc/88/87/96/584888796.db2.gz AVDFHKWVACMCGP-JQWIXIFHSA-N 2 0 243.326 0.144 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC000877105910 584890185 /nfs/dbraw/zinc/89/01/85/584890185.db2.gz NSJYMAFBDNYAKZ-VIFPVBQESA-N 2 0 232.287 0.754 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000877107378 584890349 /nfs/dbraw/zinc/89/03/49/584890349.db2.gz DKKXLSXLERBTOE-OPRDCNLKSA-N 2 0 213.325 0.310 20 0 BCADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000827683469 584900109 /nfs/dbraw/zinc/90/01/09/584900109.db2.gz HTXXEGAAMNPLQJ-JOYOIKCWSA-N 2 0 241.310 0.041 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@]1(F)CC[NH2+]C1 ZINC000827683470 584900407 /nfs/dbraw/zinc/90/04/07/584900407.db2.gz HTXXEGAAMNPLQJ-SKDRFNHKSA-N 2 0 241.310 0.041 20 0 BCADRP CN(C(=O)[C@@H]1C[NH2+]CC1(C)C)[C@H](C[NH3+])C1CC1 ZINC000884338362 584950454 /nfs/dbraw/zinc/95/04/54/584950454.db2.gz FXXKBBXOTIELDT-WDEREUQCSA-N 2 0 239.363 0.428 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C[C@H]2CCC(=O)O2)C1 ZINC000821386737 585016281 /nfs/dbraw/zinc/01/62/81/585016281.db2.gz NBEUFMJUHRYFJA-VXGBXAGGSA-N 2 0 240.347 0.966 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC000763042784 585441784 /nfs/dbraw/zinc/44/17/84/585441784.db2.gz BIFRNUMJIWIIQM-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H](CCO)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000770000372 585569205 /nfs/dbraw/zinc/56/92/05/585569205.db2.gz CODHEIXYDLDLLS-STQMWFEESA-N 2 0 243.395 0.373 20 0 BCADRP Cc1cc(N(C)CC[N@H+](C)C2CC2)nc(N)[nH+]1 ZINC000770221309 585571885 /nfs/dbraw/zinc/57/18/85/585571885.db2.gz JJGMRCHADZSSMP-UHFFFAOYSA-N 2 0 235.335 0.898 20 0 BCADRP OCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000771803380 585600460 /nfs/dbraw/zinc/60/04/60/585600460.db2.gz ZRFUQVUGZZMZRD-STQMWFEESA-N 2 0 242.363 0.194 20 0 BCADRP C[N@@H+]1CCC[C@H]2CN(Cn3cnnc3)CC[C@@H]21 ZINC000776764450 585703880 /nfs/dbraw/zinc/70/38/80/585703880.db2.gz OYMSCGBJWLKABW-RYUDHWBXSA-N 2 0 235.335 0.652 20 0 BCADRP C[C@H](CCO)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000779383800 585752816 /nfs/dbraw/zinc/75/28/16/585752816.db2.gz PDUQVYXUTBJSML-GFCCVEGCSA-N 2 0 243.395 0.373 20 0 BCADRP Cc1cc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)nc(N)[nH+]1 ZINC000785836790 585881761 /nfs/dbraw/zinc/88/17/61/585881761.db2.gz GFJFGWLPPMNALB-VHSXEESVSA-N 2 0 235.335 0.896 20 0 BCADRP CNC(=O)[C@@H]1CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000788478392 585925264 /nfs/dbraw/zinc/92/52/64/585925264.db2.gz JMVAXGSRJAGDRC-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](CNC(=S)NCC[NH+](C)C)C[NH+](C)C ZINC000793260959 586015273 /nfs/dbraw/zinc/01/52/73/586015273.db2.gz VMOJGBVBSRZNIU-SNVBAGLBSA-N 2 0 246.424 0.210 20 0 BCADRP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCN1CCCC1 ZINC000794577403 586045143 /nfs/dbraw/zinc/04/51/43/586045143.db2.gz QLGBIMAKBFAILN-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@H](O)C1CC1 ZINC000843105730 586384295 /nfs/dbraw/zinc/38/42/95/586384295.db2.gz UYXDCPLYRXHGBA-OLZOCXBDSA-N 2 0 244.379 0.440 20 0 BCADRP CN1CC[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000817888521 586832046 /nfs/dbraw/zinc/83/20/46/586832046.db2.gz HGLLXMXHQMHZAD-SDDRHHMPSA-N 2 0 211.353 0.940 20 0 BCADRP C[C@@H]([NH2+][C@H](CCO)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000817919703 586840345 /nfs/dbraw/zinc/84/03/45/586840345.db2.gz UIRZQRIBHWZMGN-ADEWGFFLSA-N 2 0 212.337 0.878 20 0 BCADRP CC1(C[NH2+]C2CCC(C[NH3+])CC2)OCCO1 ZINC000817917822 586840414 /nfs/dbraw/zinc/84/04/14/586840414.db2.gz SUGCMFQISDJGCU-UHFFFAOYSA-N 2 0 228.336 0.857 20 0 BCADRP C[C@@H]1CC2(C[N@@H+]1Cc1cnn(C)n1)CC[NH2+]CC2 ZINC000818340462 586887489 /nfs/dbraw/zinc/88/74/89/586887489.db2.gz MLXHVTUTTRHCTE-LLVKDONJSA-N 2 0 249.362 0.779 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818535005 586898287 /nfs/dbraw/zinc/89/82/87/586898287.db2.gz BCDIMLBRTMFSBU-QWRGUYRKSA-N 2 0 249.358 0.787 20 0 BCADRP [NH3+]CCc1ccc(CNC(=O)C2([NH3+])CC2)cc1 ZINC000818534968 586898367 /nfs/dbraw/zinc/89/83/67/586898367.db2.gz RSCRPMMJYOLODK-UHFFFAOYSA-N 2 0 233.315 0.295 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818534740 586898601 /nfs/dbraw/zinc/89/86/01/586898601.db2.gz LKUCBRVQWRGEGN-NSHDSACASA-N 2 0 249.358 0.660 20 0 BCADRP CC[NH2+]CC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000818542493 586898829 /nfs/dbraw/zinc/89/88/29/586898829.db2.gz NZSAHOVXFJPXTI-UHFFFAOYSA-N 2 0 237.303 0.572 20 0 BCADRP [NH3+]CCc1ccc(CNC(=O)C[NH2+]C2CC2)cc1 ZINC000818536641 586899000 /nfs/dbraw/zinc/89/90/00/586899000.db2.gz ZLEVMWAESKTNHR-UHFFFAOYSA-N 2 0 247.342 0.556 20 0 BCADRP [NH3+]CCOc1cccc(NC(=O)C2([NH3+])CC2)c1 ZINC000818542486 586899004 /nfs/dbraw/zinc/89/90/04/586899004.db2.gz NLQZSFVGHNAJHO-UHFFFAOYSA-N 2 0 235.287 0.454 20 0 BCADRP CC(C)(C[NH3+])NC(=O)c1cccc(C[NH3+])c1 ZINC000818544312 586899384 /nfs/dbraw/zinc/89/93/84/586899384.db2.gz KRSYWVTXJPJPHW-UHFFFAOYSA-N 2 0 221.304 0.612 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818612719 586905601 /nfs/dbraw/zinc/90/56/01/586905601.db2.gz UONDCSIEMUAFJN-ZWNOBZJWSA-N 2 0 237.347 0.339 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818612717 586906788 /nfs/dbraw/zinc/90/67/88/586906788.db2.gz UONDCSIEMUAFJN-GXFFZTMASA-N 2 0 237.347 0.339 20 0 BCADRP O[C@@H](C[NH2+]CCCC[NH+]1CCOCC1)C1CC1 ZINC000818961519 586918024 /nfs/dbraw/zinc/91/80/24/586918024.db2.gz RBAYNICEQZOJPW-ZDUSSCGKSA-N 2 0 242.363 0.459 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C[NH+]1CCCC1 ZINC000820520363 587052519 /nfs/dbraw/zinc/05/25/19/587052519.db2.gz OKZIUIJJXDXEFG-UHFFFAOYSA-N 2 0 241.379 0.930 20 0 BCADRP CN(CC[NH+](C)C)C(=O)C[NH+]1CCCC1 ZINC000820527595 587052680 /nfs/dbraw/zinc/05/26/80/587052680.db2.gz PVTCQSKTJMNUAM-UHFFFAOYSA-N 2 0 213.325 0.102 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000820621855 587059703 /nfs/dbraw/zinc/05/97/03/587059703.db2.gz RODHCUHCMHPTLQ-IJLUTSLNSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H](NC1CC[NH+](C)CC1)c1cnnn1C ZINC000820805802 587073118 /nfs/dbraw/zinc/07/31/18/587073118.db2.gz RVNNMQOOCQZMCU-VIFPVBQESA-N 2 0 223.324 0.560 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860163852 589085023 /nfs/dbraw/zinc/08/50/23/589085023.db2.gz BHEXEHIWOKODTE-GRYCIOLGSA-N 2 0 238.331 0.576 20 0 BCADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000821355597 587110984 /nfs/dbraw/zinc/11/09/84/587110984.db2.gz VWMSPJZAQMTJEG-LBPRGKRZSA-N 2 0 240.347 0.966 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)C[NH+]1CCCC1 ZINC000821720954 587135874 /nfs/dbraw/zinc/13/58/74/587135874.db2.gz VHINQMHZECHHGZ-UHFFFAOYSA-N 2 0 227.352 0.492 20 0 BCADRP CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000823610636 587232388 /nfs/dbraw/zinc/23/23/88/587232388.db2.gz RBNCCJOUMRXEGZ-NSHDSACASA-N 2 0 225.336 0.293 20 0 BCADRP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000824400766 587269609 /nfs/dbraw/zinc/26/96/09/587269609.db2.gz DNISQURUTDIOFB-GFCCVEGCSA-N 2 0 239.363 0.635 20 0 BCADRP CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H](C)[NH2+]1 ZINC000824752230 587285720 /nfs/dbraw/zinc/28/57/20/587285720.db2.gz CPFKQNYBCNIIRA-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[NH2+]1 ZINC000824778600 587286999 /nfs/dbraw/zinc/28/69/99/587286999.db2.gz LGRMQMQNAPWEMM-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000825990910 587347895 /nfs/dbraw/zinc/34/78/95/587347895.db2.gz ZHXOKVJKOARSBA-NWDGAFQWSA-N 2 0 246.314 0.077 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)[NH+](C)C ZINC000827219974 587373258 /nfs/dbraw/zinc/37/32/58/587373258.db2.gz PYUZKCOZYUDOLQ-IJLUTSLNSA-N 2 0 239.363 0.489 20 0 BCADRP CN(CC[S@](C)=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000827878462 587407289 /nfs/dbraw/zinc/40/72/89/587407289.db2.gz WUXYTDZKRBGIKC-ABAIWWIYSA-N 2 0 232.393 0.639 20 0 BCADRP [NH3+]CCCCCCNC(=O)NCC1([NH3+])CCC1 ZINC000831184531 587590011 /nfs/dbraw/zinc/59/00/11/587590011.db2.gz QIDIDOHWEAARMM-UHFFFAOYSA-N 2 0 242.367 0.686 20 0 BCADRP C[C@H]([NH3+])CNC(=O)NCCCCCC[NH3+] ZINC000831191613 587591070 /nfs/dbraw/zinc/59/10/70/587591070.db2.gz QWFMMAJREQMEDA-VIFPVBQESA-N 2 0 216.329 0.152 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCCCCC[NH3+] ZINC000831196949 587591434 /nfs/dbraw/zinc/59/14/34/587591434.db2.gz HFZQGQCIPODOIR-NXEZZACHSA-N 2 0 230.356 0.540 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCCCCC[NH3+] ZINC000831224081 587592951 /nfs/dbraw/zinc/59/29/51/587592951.db2.gz WDZNRGVDWUFPBX-WDEREUQCSA-N 2 0 244.383 0.931 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCCCCC[NH3+] ZINC000831224079 587593082 /nfs/dbraw/zinc/59/30/82/587593082.db2.gz WDZNRGVDWUFPBX-MNOVXSKESA-N 2 0 244.383 0.931 20 0 BCADRP [NH3+]CCCCCCNC(=O)N1CC[NH2+]CC1 ZINC000831290567 587595997 /nfs/dbraw/zinc/59/59/97/587595997.db2.gz CQFYQNFSAZSPPR-UHFFFAOYSA-N 2 0 228.340 0.120 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCCCCC[NH3+] ZINC000831291378 587596105 /nfs/dbraw/zinc/59/61/05/587596105.db2.gz MIGJHRIQGSQGRD-QWRGUYRKSA-N 2 0 242.367 0.637 20 0 BCADRP [NH3+]CCCCCC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000831700987 587628226 /nfs/dbraw/zinc/62/82/26/587628226.db2.gz SUCDKGHCOQKMNU-VXGBXAGGSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831970497 587639773 /nfs/dbraw/zinc/63/97/73/587639773.db2.gz HKTOYUYZSLSCDS-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000831971048 587640189 /nfs/dbraw/zinc/64/01/89/587640189.db2.gz QFLUEHJTSUPHJX-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000831971045 587640261 /nfs/dbraw/zinc/64/02/61/587640261.db2.gz QFLUEHJTSUPHJX-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831970629 587640264 /nfs/dbraw/zinc/64/02/64/587640264.db2.gz JWUNCSYGRLJUCV-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C[NH2+]C1CC1 ZINC000831971479 587640373 /nfs/dbraw/zinc/64/03/73/587640373.db2.gz YQOGUYCESHXULJ-JTQLQIEISA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831971438 587640550 /nfs/dbraw/zinc/64/05/50/587640550.db2.gz XLUXXLKJWQKWJW-MNOVXSKESA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831971437 587640685 /nfs/dbraw/zinc/64/06/85/587640685.db2.gz XLUXXLKJWQKWJW-GHMZBOCLSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831970421 587640725 /nfs/dbraw/zinc/64/07/25/587640725.db2.gz HBHGNFNBJYGIBF-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000831970265 587640957 /nfs/dbraw/zinc/64/09/57/587640957.db2.gz BDRQPXUHIKFDKW-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000831970958 587640983 /nfs/dbraw/zinc/64/09/83/587640983.db2.gz OZFPETWXOGESIB-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP C[NH+](C)CCN(C(=O)[C@]1(F)CC[NH2+]C1)C1CC1 ZINC000832158354 587646947 /nfs/dbraw/zinc/64/69/47/587646947.db2.gz KTIIOIBHMHILHT-LBPRGKRZSA-N 2 0 243.326 0.241 20 0 BCADRP C[NH+](C)CCN(C(=O)[C@@]1(F)CC[NH2+]C1)C1CC1 ZINC000832158350 587647155 /nfs/dbraw/zinc/64/71/55/587647155.db2.gz KTIIOIBHMHILHT-GFCCVEGCSA-N 2 0 243.326 0.241 20 0 BCADRP O=C(NCCN1CC=CCC1)[C@@]1(F)CC[NH2+]C1 ZINC000832178219 587648527 /nfs/dbraw/zinc/64/85/27/587648527.db2.gz ONPXZDWTIOKTBK-GFCCVEGCSA-N 2 0 241.310 0.066 20 0 BCADRP O=C(NCCN1CC=CCC1)[C@]1(F)CC[NH2+]C1 ZINC000832178220 587648761 /nfs/dbraw/zinc/64/87/61/587648761.db2.gz ONPXZDWTIOKTBK-LBPRGKRZSA-N 2 0 241.310 0.066 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000832223715 587650978 /nfs/dbraw/zinc/65/09/78/587650978.db2.gz SLWAYTVTOKBMGD-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]Cc1cccc(C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000832244077 587651954 /nfs/dbraw/zinc/65/19/54/587651954.db2.gz JBMDFSCBCFZFAB-LLVKDONJSA-N 2 0 219.288 0.319 20 0 BCADRP [NH3+][C@@H](CC(=O)NC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000832447189 587660263 /nfs/dbraw/zinc/66/02/63/587660263.db2.gz VXMAZBGNIIWUNW-ONGXEEELSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+][C@H](CC(=O)NC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000832447188 587660265 /nfs/dbraw/zinc/66/02/65/587660265.db2.gz VXMAZBGNIIWUNW-MWLCHTKSSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+]Cc1cccc(C(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000832458044 587661176 /nfs/dbraw/zinc/66/11/76/587661176.db2.gz BFHISIXCHPYNAQ-LBPRGKRZSA-N 2 0 247.342 0.956 20 0 BCADRP C[C@H](NC(=O)[C@@]1(F)CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000832498179 587663559 /nfs/dbraw/zinc/66/35/59/587663559.db2.gz WSTDJXVXKJDDAP-HOSYDEDBSA-N 2 0 243.326 0.192 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)c2cccc(C[NH3+])c2)C1 ZINC000832555055 587666497 /nfs/dbraw/zinc/66/64/97/587666497.db2.gz ZMBKHVPFJCRKIN-ZDUSSCGKSA-N 2 0 247.342 0.969 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000832591705 587667945 /nfs/dbraw/zinc/66/79/45/587667945.db2.gz IFJUUTIRAPHKAH-CABZTGNLSA-N 2 0 239.363 0.700 20 0 BCADRP [NH3+]CCCC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000832606911 587669208 /nfs/dbraw/zinc/66/92/08/587669208.db2.gz OIKWZBOKTQRSRS-UHFFFAOYSA-N 2 0 237.303 0.702 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CCC([NH3+])CC1 ZINC000832828715 587692720 /nfs/dbraw/zinc/69/27/20/587692720.db2.gz KQARZFGZXHPJGE-YYJSSNLHSA-N 2 0 239.363 0.713 20 0 BCADRP CN(C(=O)[C@]1(F)CC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000832829404 587692773 /nfs/dbraw/zinc/69/27/73/587692773.db2.gz VYAYLBHUPNHBMU-CBINBANVSA-N 2 0 243.326 0.416 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)CCCCC[NH3+])CCO1 ZINC000834316958 587751272 /nfs/dbraw/zinc/75/12/72/587751272.db2.gz NRYNXLYCKPPLPL-GHMZBOCLSA-N 2 0 243.351 0.080 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000834427176 587754888 /nfs/dbraw/zinc/75/48/88/587754888.db2.gz XKYAXHCQCDUAHZ-UHFFFAOYSA-N 2 0 237.347 0.341 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)c1cccc(C[NH3+])c1 ZINC000834452997 587755328 /nfs/dbraw/zinc/75/53/28/587755328.db2.gz MEKVCMMZAJIIIB-VIFPVBQESA-N 2 0 221.304 0.612 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000834582626 587759869 /nfs/dbraw/zinc/75/98/69/587759869.db2.gz WKJOSBMBTXGUBL-NSHDSACASA-N 2 0 227.352 0.764 20 0 BCADRP [NH3+][C@H](CC(=O)N[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000834582185 587759899 /nfs/dbraw/zinc/75/98/99/587759899.db2.gz FLSKMLUJWCETEI-WDEREUQCSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](CC(=O)N[C@@H](C)C[NH3+])C1CC[NH2+]CC1 ZINC000834608798 587760592 /nfs/dbraw/zinc/76/05/92/587760592.db2.gz SCPLBUVHXVUWQB-ZJUUUORDSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](C)C[NH3+])cc1 ZINC000834618874 587761382 /nfs/dbraw/zinc/76/13/82/587761382.db2.gz ZPUVMVCGHKGBLN-DTWKUNHWSA-N 2 0 221.304 0.783 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000834648270 587762618 /nfs/dbraw/zinc/76/26/18/587762618.db2.gz ULAXIFZCGYKCTG-CKYFFXLPSA-N 2 0 243.326 0.274 20 0 BCADRP C[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000834672397 587763585 /nfs/dbraw/zinc/76/35/85/587763585.db2.gz BVPDMKIUEUQBJL-SDDRHHMPSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C[C@@H]([NH3+])C2CC2)CC[NH2+]1 ZINC000834672772 587763591 /nfs/dbraw/zinc/76/35/91/587763591.db2.gz HIHGLWYXYWLYKB-FBIMIBRVSA-N 2 0 225.336 0.371 20 0 BCADRP CCCCCC[N@H+](C)CC(=O)NC[C@H](C)[NH3+] ZINC000834687114 587764315 /nfs/dbraw/zinc/76/43/15/587764315.db2.gz SJMGZAYAIBXBIW-NSHDSACASA-N 2 0 229.368 0.962 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000834703519 587764726 /nfs/dbraw/zinc/76/47/26/587764726.db2.gz MHLWPHLKFZDGSB-JQWIXIFHSA-N 2 0 243.326 0.275 20 0 BCADRP [NH3+][C@H](CC(=O)N[C@@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000834791655 587767152 /nfs/dbraw/zinc/76/71/52/587767152.db2.gz QZCAQLOKKHQZAM-GHMZBOCLSA-N 2 0 237.347 0.372 20 0 BCADRP C[C@@H](NC(=O)CCCCC[NH3+])[C@H](C)[NH3+] ZINC000834820926 587767713 /nfs/dbraw/zinc/76/77/13/587767713.db2.gz GOHWZSBIFCMHMW-DTWKUNHWSA-N 2 0 201.314 0.357 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000834846071 587768426 /nfs/dbraw/zinc/76/84/26/587768426.db2.gz MRDVFXSONAYKIM-SFYZADRCSA-N 2 0 247.289 0.098 20 0 BCADRP C[C@H](CNC(=O)N[C@@H](C)C[NH3+])[NH+]1CCCCC1 ZINC000841725593 587973126 /nfs/dbraw/zinc/97/31/26/587973126.db2.gz NRFBEEWWZYHMTN-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000841831017 587976243 /nfs/dbraw/zinc/97/62/43/587976243.db2.gz DJRGPWUVTNAXKJ-GXSJLCMTSA-N 2 0 240.351 0.117 20 0 BCADRP [NH3+][C@H](CC(=O)NCC1([NH3+])CCCCC1)C1CC1 ZINC000841845150 587977214 /nfs/dbraw/zinc/97/72/14/587977214.db2.gz LPCJFBWTJWZFOF-LLVKDONJSA-N 2 0 239.363 0.892 20 0 BCADRP [NH3+][C@H](CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C1CC1 ZINC000841848466 587977525 /nfs/dbraw/zinc/97/75/25/587977525.db2.gz NZPVAMLCVKCIQH-NWDGAFQWSA-N 2 0 237.347 0.467 20 0 BCADRP O=C(N(C1CC1)[C@H]1CC[NH2+]C1)[C@]1(F)CC[NH2+]C1 ZINC000841848626 587978052 /nfs/dbraw/zinc/97/80/52/587978052.db2.gz SUFYJZZHKRBFRT-JQWIXIFHSA-N 2 0 241.310 0.041 20 0 BCADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@]1(F)CC[NH2+]C1 ZINC000841852155 587978306 /nfs/dbraw/zinc/97/83/06/587978306.db2.gz GGUQXUSENNWVIA-CYBMUJFWSA-N 2 0 249.289 0.930 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CC[NH2+]1 ZINC000841851236 587978329 /nfs/dbraw/zinc/97/83/29/587978329.db2.gz IMOUKTAYIBXIQP-ZYHUDNBSSA-N 2 0 243.326 0.144 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000841851081 587978376 /nfs/dbraw/zinc/97/83/76/587978376.db2.gz KCBAMPNEHXKUQY-YWVKMMECSA-N 2 0 243.326 0.285 20 0 BCADRP [NH3+]C1(CC(=O)N[C@H]2C[NH2+]CCC2(F)F)CCC1 ZINC000841852695 587978439 /nfs/dbraw/zinc/97/84/39/587978439.db2.gz OLVMAUCEVWZFIW-QMMMGPOBSA-N 2 0 247.289 0.371 20 0 BCADRP O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@]1(F)CC[NH2+]C1 ZINC000841851554 587978511 /nfs/dbraw/zinc/97/85/11/587978511.db2.gz MKNAVXDBQAQDLH-JFGNBEQYSA-N 2 0 241.310 0.041 20 0 BCADRP CC(C)[C@H]1CN(C(=O)CCCCC[NH3+])CC[NH2+]1 ZINC000841852049 587978593 /nfs/dbraw/zinc/97/85/93/587978593.db2.gz VYEROAYWBAISGB-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000841850928 587978550 /nfs/dbraw/zinc/97/85/50/587978550.db2.gz JBCVLFLDVVJAIW-XYPYZODXSA-N 2 0 227.352 0.477 20 0 BCADRP CN1CCN(CCCCCCC[NH3+])CC1=O ZINC000842472514 588028753 /nfs/dbraw/zinc/02/87/53/588028753.db2.gz CLHMTKGAVXEEEO-UHFFFAOYSA-N 2 0 227.352 0.670 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000842471829 588028819 /nfs/dbraw/zinc/02/88/19/588028819.db2.gz CAINHJOVEHAQNB-GFCCVEGCSA-N 2 0 239.363 0.812 20 0 BCADRP C[NH2+]CCCN(C)C(=O)c1cccc(C[NH3+])c1 ZINC000842510357 588031680 /nfs/dbraw/zinc/03/16/80/588031680.db2.gz QGKZHQYKQNLHQW-UHFFFAOYSA-N 2 0 235.331 0.827 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842512656 588032506 /nfs/dbraw/zinc/03/25/06/588032506.db2.gz LKKQMXMXSRAGCW-LOWVWBTDSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+]CCc1noc(C2CC[NH+](C3CC3)CC2)n1 ZINC000843131550 588085399 /nfs/dbraw/zinc/08/53/99/588085399.db2.gz MLFXDWBOLIGFCX-UHFFFAOYSA-N 2 0 236.319 0.913 20 0 BCADRP CCCOC(=O)[C@H](C)N1CC[C@](C)(C[NH3+])C1 ZINC000843381700 588105946 /nfs/dbraw/zinc/10/59/46/588105946.db2.gz GOTMLAUEFSYNQD-CMPLNLGQSA-N 2 0 228.336 0.999 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000843463978 588112952 /nfs/dbraw/zinc/11/29/52/588112952.db2.gz LGIDPYRHSCRYJY-GARJFASQSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)CCCCC[NH3+])[C@@H]1C ZINC000843474351 588113776 /nfs/dbraw/zinc/11/37/76/588113776.db2.gz YNJHVAZWNGKGDW-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)C[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000843473819 588114181 /nfs/dbraw/zinc/11/41/81/588114181.db2.gz PYPDCSBSZZJAFJ-VWYCJHECSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)C[C@H]([NH3+])C1CC1 ZINC000843481934 588114462 /nfs/dbraw/zinc/11/44/62/588114462.db2.gz XCLWGBJLCXAAGA-JTQLQIEISA-N 2 0 227.352 0.748 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843484821 588114542 /nfs/dbraw/zinc/11/45/42/588114542.db2.gz LWSCTUYPRNLSSS-VXGBXAGGSA-N 2 0 239.363 0.444 20 0 BCADRP CN(C(=O)CCCCC[NH3+])C1(C[NH3+])CCC1 ZINC000843485293 588114647 /nfs/dbraw/zinc/11/46/47/588114647.db2.gz QBPNZIMAHKGVGI-UHFFFAOYSA-N 2 0 227.352 0.845 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C[NH2+]CC ZINC000843494741 588115581 /nfs/dbraw/zinc/11/55/81/588115581.db2.gz WSWRQUXCIZYATH-NSHDSACASA-N 2 0 229.368 0.833 20 0 BCADRP CC[NH2+]CC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000843498894 588116440 /nfs/dbraw/zinc/11/64/40/588116440.db2.gz VRXNUGQGKIMIBV-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000843504968 588117184 /nfs/dbraw/zinc/11/71/84/588117184.db2.gz AYOKQIBHJUCDFY-LLVKDONJSA-N 2 0 227.352 0.764 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000843505798 588117192 /nfs/dbraw/zinc/11/71/92/588117192.db2.gz NHPOVIOXEBPHIQ-NSHDSACASA-N 2 0 231.315 0.323 20 0 BCADRP C[C@@H]1[C@H](C(=O)NCCCCCC[NH3+])CC[N@@H+]1C ZINC000843511105 588117822 /nfs/dbraw/zinc/11/78/22/588117822.db2.gz GXQLUZYEYQYWKP-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+]CCC(=O)NCCCCCC[NH3+] ZINC000843513116 588118233 /nfs/dbraw/zinc/11/82/33/588118233.db2.gz ZCFLPAVKHFGJEA-UHFFFAOYSA-N 2 0 201.314 0.231 20 0 BCADRP C[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC000844163543 588171422 /nfs/dbraw/zinc/17/14/22/588171422.db2.gz AIWNWPKTJWKXKF-UHFFFAOYSA-N 2 0 227.352 0.588 20 0 BCADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CC[NH2+]C1 ZINC000844162615 588171766 /nfs/dbraw/zinc/17/17/66/588171766.db2.gz AQWURKYAAWQXCH-GFCCVEGCSA-N 2 0 239.363 0.731 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000844178107 588172185 /nfs/dbraw/zinc/17/21/85/588172185.db2.gz KJNPAWIEHZCZBY-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP CC[NH2+]CC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000844181099 588172482 /nfs/dbraw/zinc/17/24/82/588172482.db2.gz OHECICNRUSEOSK-UHFFFAOYSA-N 2 0 245.286 0.815 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C(C)C ZINC000844179512 588172529 /nfs/dbraw/zinc/17/25/29/588172529.db2.gz FJEKGGOOBXVIRR-UTUOFQBUSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)[NH+](C)C ZINC000844197254 588173430 /nfs/dbraw/zinc/17/34/30/588173430.db2.gz GZNAGUJEHHCYSO-YUMQZZPRSA-N 2 0 235.278 0.050 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000846220476 588261088 /nfs/dbraw/zinc/26/10/88/588261088.db2.gz QIMNGOLBYIBTAG-GFCCVEGCSA-N 2 0 241.379 0.032 20 0 BCADRP [NH3+]CCCCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000846220481 588261300 /nfs/dbraw/zinc/26/13/00/588261300.db2.gz QOPJIQPMIQMMGM-TXEJJXNPSA-N 2 0 211.353 0.657 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000846676087 588282003 /nfs/dbraw/zinc/28/20/03/588282003.db2.gz AMJGUCHEJITQOO-QCNOEVLYSA-N 2 0 237.347 0.324 20 0 BCADRP O=C([C@@H]1CCC[NH2+]CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000846676914 588282201 /nfs/dbraw/zinc/28/22/01/588282201.db2.gz KVCKZFXGFNUBNZ-UTUOFQBUSA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+]CC1(CCNC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000846692090 588283258 /nfs/dbraw/zinc/28/32/58/588283258.db2.gz PACGWGFZYGGCRD-SNVBAGLBSA-N 2 0 225.336 0.359 20 0 BCADRP O=C(NCCC1CC[NH2+]CC1)[C@]1(F)CC[NH2+]C1 ZINC000846700167 588283558 /nfs/dbraw/zinc/28/35/58/588283558.db2.gz QZSPMWYJDPCUOI-LBPRGKRZSA-N 2 0 243.326 0.194 20 0 BCADRP CNC(=O)CCC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000846804101 588289727 /nfs/dbraw/zinc/28/97/27/588289727.db2.gz IIWQIZBGACFCHM-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CCO)C1CC1 ZINC000846855321 588293395 /nfs/dbraw/zinc/29/33/95/588293395.db2.gz UQUGDBTVNRNNLC-NWDGAFQWSA-N 2 0 230.352 0.050 20 0 BCADRP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000107149793 588332222 /nfs/dbraw/zinc/33/22/22/588332222.db2.gz QGKSGMBBMGSEEJ-SNVBAGLBSA-N 2 0 208.309 0.807 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000848418520 588382378 /nfs/dbraw/zinc/38/23/78/588382378.db2.gz NBODKLDTGIMIGC-CMPLNLGQSA-N 2 0 225.336 0.054 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000848417664 588382430 /nfs/dbraw/zinc/38/24/30/588382430.db2.gz CTLRURRIJLGCOS-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP CCn1ncc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000848562963 588397791 /nfs/dbraw/zinc/39/77/91/588397791.db2.gz NQAAGIKYHANSCM-KLPPZKSPSA-N 2 0 237.351 0.728 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848722352 588408609 /nfs/dbraw/zinc/40/86/09/588408609.db2.gz SLGNIPOBDFQHAK-ATZCPNFKSA-N 2 0 241.335 0.685 20 0 BCADRP Cn1ncc(CCC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000848720091 588408671 /nfs/dbraw/zinc/40/86/71/588408671.db2.gz JIBURTSHDGXDAR-WDEREUQCSA-N 2 0 237.351 0.607 20 0 BCADRP CC[NH+](CC)CCNC(=[NH2+])NCCOC ZINC000848980645 588423747 /nfs/dbraw/zinc/42/37/47/588423747.db2.gz ZMCYTBNGDDVMFD-UHFFFAOYSA-N 2 0 216.329 0.089 20 0 BCADRP C[C@@H]1C[N@@H+](CCCNC(=[NH2+])N(C)C)C[C@H](C)O1 ZINC000848983610 588424426 /nfs/dbraw/zinc/42/44/26/588424426.db2.gz VWBNVMYNYKJCHE-PHIMTYICSA-N 2 0 242.367 0.572 20 0 BCADRP CC(C)C[C@@H](CNC1=[NH+]C[C@H](C)N1)[NH+](C)C ZINC000848983935 588425063 /nfs/dbraw/zinc/42/50/63/588425063.db2.gz UAMAIYDPBMYUNC-QWRGUYRKSA-N 2 0 226.368 0.900 20 0 BCADRP COC[C@H](C)NC(=[NH2+])NC[C@H](C)[NH+]1CCCC1 ZINC000848986539 588425538 /nfs/dbraw/zinc/42/55/38/588425538.db2.gz CYCYAPQVLHVEOA-QWRGUYRKSA-N 2 0 242.367 0.620 20 0 BCADRP C[C@H]1CN(C(=[NH2+])NC[C@@H]2CC[N@H+](C)C2)CCO1 ZINC000848992786 588427850 /nfs/dbraw/zinc/42/78/50/588427850.db2.gz ULDDBMDUVDGBIO-QWRGUYRKSA-N 2 0 240.351 0.183 20 0 BCADRP CCCNC(=[NH2+])NCCNc1cc[nH+]cc1 ZINC000848995179 588428743 /nfs/dbraw/zinc/42/87/43/588428743.db2.gz BYDGVNLQEJZARI-UHFFFAOYSA-N 2 0 221.308 0.439 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])N1CCC1 ZINC000849000995 588430741 /nfs/dbraw/zinc/43/07/41/588430741.db2.gz NGLZSZXWEXWMSM-SNVBAGLBSA-N 2 0 212.341 0.947 20 0 BCADRP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCC1 ZINC000849001962 588431116 /nfs/dbraw/zinc/43/11/16/588431116.db2.gz WCINNQSCZPHDGG-LLVKDONJSA-N 2 0 240.351 0.327 20 0 BCADRP CCC[N@H+](CC)CCNC(=[NH2+])N1CCC1 ZINC000849004578 588431831 /nfs/dbraw/zinc/43/18/31/588431831.db2.gz ZVCUNMMCEBRKKR-UHFFFAOYSA-N 2 0 212.341 0.948 20 0 BCADRP COCCNC(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1 ZINC000849004322 588431854 /nfs/dbraw/zinc/43/18/54/588431854.db2.gz MNRYEQSXIPTGOP-SNVBAGLBSA-N 2 0 228.340 0.089 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000849005269 588432357 /nfs/dbraw/zinc/43/23/57/588432357.db2.gz JFMWYSDLYZABAV-SNVBAGLBSA-N 2 0 224.352 0.995 20 0 BCADRP C[NH+](C)C1(CNC(=[NH2+])N2CCC2)CCOCC1 ZINC000849007443 588432975 /nfs/dbraw/zinc/43/29/75/588432975.db2.gz OMOMEWDIFZDNTF-UHFFFAOYSA-N 2 0 240.351 0.327 20 0 BCADRP CCN(CC)C(=[NH2+])NC[C@@H]1C[N@H+](C)CCN1C ZINC000849008108 588433578 /nfs/dbraw/zinc/43/35/78/588433578.db2.gz QYITXSYEPGWNJW-LLVKDONJSA-N 2 0 241.383 0.098 20 0 BCADRP CC[C@H](CO)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000849017040 588437444 /nfs/dbraw/zinc/43/74/44/588437444.db2.gz YAKJIKXLXOKKQW-MNOVXSKESA-N 2 0 242.367 0.356 20 0 BCADRP CCNC(=[NH2+])NCC1CC[NH+](C2CC2)CC1 ZINC000849022873 588439231 /nfs/dbraw/zinc/43/92/31/588439231.db2.gz IWHDFYMAMZGMNM-UHFFFAOYSA-N 2 0 224.352 0.995 20 0 BCADRP CN(C)C(=[NH2+])NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000849026660 588440935 /nfs/dbraw/zinc/44/09/35/588440935.db2.gz MOWOJLHXIMODJN-UHFFFAOYSA-N 2 0 241.383 0.098 20 0 BCADRP CCCNC(=[NH2+])NCCCN(C)CC[NH+](C)C ZINC000849028460 588441524 /nfs/dbraw/zinc/44/15/24/588441524.db2.gz WNSOVEODRMGRFJ-UHFFFAOYSA-N 2 0 243.399 0.394 20 0 BCADRP COC[C@H](C)NC(=[NH2+])NC[C@H](C)C[NH+](C)C ZINC000849030417 588442223 /nfs/dbraw/zinc/44/22/23/588442223.db2.gz OEVYIPDNDSDBQB-UWVGGRQHSA-N 2 0 230.356 0.333 20 0 BCADRP [NH2+]=C(NC[C@H]1CCC[N@H+]1CCCO)N1CCC1 ZINC000849033886 588444002 /nfs/dbraw/zinc/44/40/02/588444002.db2.gz DGEAGUKKLLHWNR-LLVKDONJSA-N 2 0 240.351 0.063 20 0 BCADRP CN(C)C(=[NH2+])NCC[C@@H]1CCC[N@H+](C)C1 ZINC000849041296 588447851 /nfs/dbraw/zinc/44/78/51/588447851.db2.gz PKAMVRULPWKVGT-JTQLQIEISA-N 2 0 212.341 0.804 20 0 BCADRP C[C@H]1C[NH+]=C(NC[C@H]2C[C@@H]([NH+](C)C)C2)N1 ZINC000849049542 588451309 /nfs/dbraw/zinc/45/13/09/588451309.db2.gz RWKZSLZZUFNQKJ-LPEHRKFASA-N 2 0 210.325 0.264 20 0 BCADRP C[C@H]1CC[N@H+](CCNC2=[NH+]CCCCN2)C1 ZINC000849216122 588462210 /nfs/dbraw/zinc/46/22/10/588462210.db2.gz VIXVOQTYYPLANH-NSHDSACASA-N 2 0 224.352 0.657 20 0 BCADRP c1cc(NCCNC2=[NH+]CCCCN2)cc[nH+]1 ZINC000849215564 588462437 /nfs/dbraw/zinc/46/24/37/588462437.db2.gz QOAQKVZXUVWGEU-UHFFFAOYSA-N 2 0 233.319 0.244 20 0 BCADRP CON(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000850477438 588548835 /nfs/dbraw/zinc/54/88/35/588548835.db2.gz GPINTFVEBGCOFJ-JHJVBQTASA-N 2 0 241.379 0.942 20 0 BCADRP CON(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000850477440 588549285 /nfs/dbraw/zinc/54/92/85/588549285.db2.gz GPINTFVEBGCOFJ-UPJWGTAASA-N 2 0 241.379 0.942 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000851646082 588612927 /nfs/dbraw/zinc/61/29/27/588612927.db2.gz VYOOCKLDPGKOBW-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C([C@@H]1CNCCO1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000852746340 588698860 /nfs/dbraw/zinc/69/88/60/588698860.db2.gz IZXPQQNVGJOTTR-LBPRGKRZSA-N 3 0 239.363 0.050 20 0 BCADRP C([C@@H]1C[NH2+]CCO1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000852747894 588699301 /nfs/dbraw/zinc/69/93/01/588699301.db2.gz ASBFQOPVVPJVJM-STQMWFEESA-N 2 0 239.363 0.050 20 0 BCADRP COC(=O)NC1CC[NH+](CCC[NH3+])CC1 ZINC000852761622 588700932 /nfs/dbraw/zinc/70/09/32/588700932.db2.gz PKUKZOSEFOBXOU-UHFFFAOYSA-N 2 0 215.297 0.156 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852791095 588702911 /nfs/dbraw/zinc/70/29/11/588702911.db2.gz XRPAZPQMRBUSBI-LLVKDONJSA-N 2 0 223.320 0.117 20 0 BCADRP C[NH2+]CCCNC(=O)C=C1CC[NH2+]CC1 ZINC000852792911 588703063 /nfs/dbraw/zinc/70/30/63/588703063.db2.gz ILBUPVSFIPRYKF-UHFFFAOYSA-N 2 0 211.309 0.022 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000852794177 588703208 /nfs/dbraw/zinc/70/32/08/588703208.db2.gz MFWIHHWKIHCXNB-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000852793726 588703231 /nfs/dbraw/zinc/70/32/31/588703231.db2.gz FMTPDGMOLNJBJJ-ZDUSSCGKSA-N 2 0 249.358 0.802 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C=C1CC[NH2+]CC1 ZINC000852796275 588703420 /nfs/dbraw/zinc/70/34/20/588703420.db2.gz BFQIYOCWFAIOBD-SECBINFHSA-N 2 0 211.309 0.102 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)C=C1CC[NH2+]CC1)C1CC1 ZINC000852797326 588703621 /nfs/dbraw/zinc/70/36/21/588703621.db2.gz OPPGJWPKHDCKKS-ZDUSSCGKSA-N 2 0 237.347 0.540 20 0 BCADRP CC(C)(C[NH3+])NC(=O)C=C1CC[NH2+]CC1 ZINC000852797070 588703694 /nfs/dbraw/zinc/70/36/94/588703694.db2.gz ZYEATDKQHSLTFK-UHFFFAOYSA-N 2 0 211.309 0.150 20 0 BCADRP C[C@@H]1CN(C(=O)C=C2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000852797488 588703804 /nfs/dbraw/zinc/70/38/04/588703804.db2.gz UISUNSSAKPFWBI-PHIMTYICSA-N 2 0 237.347 0.505 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C=C1CC[NH2+]CC1 ZINC000852798576 588703834 /nfs/dbraw/zinc/70/38/34/588703834.db2.gz LVLCSQSEYNRWTM-LLVKDONJSA-N 2 0 225.336 0.396 20 0 BCADRP O=C(NC1CC[NH2+]CC1)[C@@H]1[NH2+]CC12CCCC2 ZINC000852824947 588705934 /nfs/dbraw/zinc/70/59/34/588705934.db2.gz DCFDDGYTFDGDTD-NSHDSACASA-N 2 0 237.347 0.387 20 0 BCADRP CN(Cc1c[nH]cn1)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000852836511 588707089 /nfs/dbraw/zinc/70/70/89/588707089.db2.gz BBJMGZDWRIQWCL-JTQLQIEISA-N 2 0 226.255 0.070 20 0 BCADRP C[C@@H](CCNC(=O)[C@@]1(F)CC[NH2+]C1)[NH+](C)C ZINC000852846149 588707832 /nfs/dbraw/zinc/70/78/32/588707832.db2.gz DBHHCICTDFIKLQ-GXSJLCMTSA-N 2 0 231.315 0.144 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852861816 588709056 /nfs/dbraw/zinc/70/90/56/588709056.db2.gz KJCRIWHHKKQERR-GFCCVEGCSA-N 2 0 237.347 0.507 20 0 BCADRP C[C@@H](Cn1ccnc1)NC(=O)C=C1CC[NH2+]CC1 ZINC000852860155 588709081 /nfs/dbraw/zinc/70/90/81/588709081.db2.gz LIRUJMMSZGCDGO-NSHDSACASA-N 2 0 248.330 0.698 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852865292 588709678 /nfs/dbraw/zinc/70/96/78/588709678.db2.gz YGXSFUIGKUJEGJ-UHFFFAOYSA-N 2 0 239.363 0.753 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C=C1CC[NH2+]CC1 ZINC000852873883 588709973 /nfs/dbraw/zinc/70/99/73/588709973.db2.gz GZKHZQZRWULSIM-ZYHUDNBSSA-N 2 0 237.347 0.492 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000852878280 588710670 /nfs/dbraw/zinc/71/06/70/588710670.db2.gz NYVDSWLHZDLJRE-GVXVVHGQSA-N 2 0 237.347 0.326 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000852882376 588711247 /nfs/dbraw/zinc/71/12/47/588711247.db2.gz FLSPTZLDOQRLTH-QWHCGFSZSA-N 2 0 249.358 0.507 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C=C1CC[NH2+]CC1 ZINC000852894726 588711959 /nfs/dbraw/zinc/71/19/59/588711959.db2.gz YDOOBNYNBVDSQT-NXEZZACHSA-N 2 0 225.336 0.538 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861571954 589168516 /nfs/dbraw/zinc/16/85/16/589168516.db2.gz KEQFONQQZGUREE-QWRGUYRKSA-N 2 0 244.383 0.705 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861565907 589168546 /nfs/dbraw/zinc/16/85/46/589168546.db2.gz GQVVGSJXOAYWED-GHMZBOCLSA-N 2 0 244.383 0.705 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861574886 589168921 /nfs/dbraw/zinc/16/89/21/589168921.db2.gz AHRPWGQPPVSZKG-NSHDSACASA-N 2 0 244.383 0.707 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000861638978 589172025 /nfs/dbraw/zinc/17/20/25/589172025.db2.gz ILXOYKIZPQBFCT-GARJFASQSA-N 2 0 242.367 0.363 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000861638648 589172143 /nfs/dbraw/zinc/17/21/43/589172143.db2.gz DVEKBUDOAKMSJL-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)NCCC[NH2+]C1CC1 ZINC000861641083 589172163 /nfs/dbraw/zinc/17/21/63/589172163.db2.gz YAWDEINXFYUFQT-SECBINFHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000861642124 589172223 /nfs/dbraw/zinc/17/22/23/589172223.db2.gz ULGZFPCLWRNZKI-JTQLQIEISA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000861643117 589172329 /nfs/dbraw/zinc/17/23/29/589172329.db2.gz QJUUETISFWAQCX-AEJSXWLSSA-N 2 0 228.340 0.245 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000861645684 589172987 /nfs/dbraw/zinc/17/29/87/589172987.db2.gz IHMYJKXSKKZGRS-IVZWLZJFSA-N 2 0 228.340 0.102 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000861651529 589173324 /nfs/dbraw/zinc/17/33/24/589173324.db2.gz VHLOGMJWRAZWDT-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000861653578 589173370 /nfs/dbraw/zinc/17/33/70/589173370.db2.gz CREGMUXPUPVNMP-UWVGGRQHSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000861689616 589174499 /nfs/dbraw/zinc/17/44/99/589174499.db2.gz DMTNBFCQXRPLBO-IVZWLZJFSA-N 2 0 228.340 0.116 20 0 BCADRP C[NH+](C)CCNC(=S)NC[C@@H]1CCC[N@@H+]1C ZINC000863240763 589274469 /nfs/dbraw/zinc/27/44/69/589274469.db2.gz JIFMAQMNKSLWTE-JTQLQIEISA-N 2 0 244.408 0.106 20 0 BCADRP CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000863546157 589295829 /nfs/dbraw/zinc/29/58/29/589295829.db2.gz FAZCDOYDCOBNMB-VGMNWLOBSA-N 2 0 217.313 0.110 20 0 BCADRP CCn1ncc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000863540864 589296465 /nfs/dbraw/zinc/29/64/65/589296465.db2.gz USVJZUYRLGEIAA-IJLUTSLNSA-N 2 0 249.362 0.776 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000863544821 589297897 /nfs/dbraw/zinc/29/78/97/589297897.db2.gz BYPBMJGAQBIBEB-LLVKDONJSA-N 2 0 238.335 0.742 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000863544822 589297981 /nfs/dbraw/zinc/29/79/81/589297981.db2.gz BYPBMJGAQBIBEB-NSHDSACASA-N 2 0 238.335 0.742 20 0 BCADRP CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000863546005 589298066 /nfs/dbraw/zinc/29/80/66/589298066.db2.gz COBKGIWAOMRQOB-NXEZZACHSA-N 2 0 231.340 0.502 20 0 BCADRP CC(C)OC(=O)CCN(C)C[C@H](C)[NH3+] ZINC000863567755 589299874 /nfs/dbraw/zinc/29/98/74/589299874.db2.gz GPJAPTLQGZKYPT-VIFPVBQESA-N 2 0 202.298 0.607 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000863585259 589301991 /nfs/dbraw/zinc/30/19/91/589301991.db2.gz SYQZKDDWJJLZHQ-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000863972758 589330990 /nfs/dbraw/zinc/33/09/90/589330990.db2.gz OXWJRTVJAHZLMM-YFKTTZPYSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000864450225 589364368 /nfs/dbraw/zinc/36/43/68/589364368.db2.gz IFXJZXJLRONQAZ-MNOVXSKESA-N 2 0 224.352 0.995 20 0 BCADRP C[C@@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)[NH+]1CCCC1 ZINC000864454312 589365938 /nfs/dbraw/zinc/36/59/38/589365938.db2.gz WKJLFLQIVSKUMW-VWYCJHECSA-N 2 0 224.352 0.993 20 0 BCADRP COCC[N@H+](C)CCCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864453720 589366203 /nfs/dbraw/zinc/36/62/03/589366203.db2.gz BCYOBBSABHOTLI-WDEREUQCSA-N 2 0 242.367 0.477 20 0 BCADRP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 ZINC000864457265 589367295 /nfs/dbraw/zinc/36/72/95/589367295.db2.gz CCEUOIDUVOOVTN-OUAUKWLOSA-N 2 0 224.352 0.851 20 0 BCADRP C[C@H]1C[C@H]1NC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000864468069 589372291 /nfs/dbraw/zinc/37/22/91/589372291.db2.gz APIPKWOFEAKIPY-UKKRHICBSA-N 2 0 224.352 0.849 20 0 BCADRP CC(C)(O)CN1CC[C@H]([NH2+]CC2(F)CC2)C1 ZINC000865660538 589454910 /nfs/dbraw/zinc/45/49/10/589454910.db2.gz UPNSPVWVQFLAKU-JTQLQIEISA-N 2 0 230.327 0.923 20 0 BCADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000866659491 589508249 /nfs/dbraw/zinc/50/82/49/589508249.db2.gz MNCCQHIUQCEIHX-QWRGUYRKSA-N 2 0 235.335 0.436 20 0 BCADRP NC(=O)c1ccc(CCN2CCC[C@@H]2C[NH3+])cc1 ZINC000866662136 589508907 /nfs/dbraw/zinc/50/89/07/589508907.db2.gz YCVNHSXQYYQWSH-CYBMUJFWSA-N 2 0 247.342 0.751 20 0 BCADRP [NH3+]CCC[N@@H+]1CCCCCCNC(=O)CC1 ZINC000866684106 589511281 /nfs/dbraw/zinc/51/12/81/589511281.db2.gz JCZKNZVOONEGIK-UHFFFAOYSA-N 2 0 227.352 0.718 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866704015 589513472 /nfs/dbraw/zinc/51/34/72/589513472.db2.gz NUKIBUGMNUFISW-TUAOUCFPSA-N 2 0 244.404 0.642 20 0 BCADRP C[C@@H](NC(=O)[C@H]1[NH2+]CC1(C)C)C1CC[NH2+]CC1 ZINC000868006838 589543821 /nfs/dbraw/zinc/54/38/21/589543821.db2.gz YKTLYZBJIZNANT-MWLCHTKSSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000868006622 589543914 /nfs/dbraw/zinc/54/39/14/589543914.db2.gz VLIOHMIKVPQSAP-RKDXNWHRSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)C1CC[NH2+]CC1 ZINC000868006837 589543940 /nfs/dbraw/zinc/54/39/40/589543940.db2.gz YKTLYZBJIZNANT-KOLCDFICSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)C1CC[NH2+]CC1 ZINC000868013292 589544316 /nfs/dbraw/zinc/54/43/16/589544316.db2.gz RCBGRGCOLHSCCS-HOSYDEDBSA-N 2 0 239.363 0.489 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000868036189 589545267 /nfs/dbraw/zinc/54/52/67/589545267.db2.gz UXWWMYMXCJTWPX-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000868036187 589545444 /nfs/dbraw/zinc/54/54/44/589545444.db2.gz UXWWMYMXCJTWPX-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870937922 589698769 /nfs/dbraw/zinc/69/87/69/589698769.db2.gz CNXCUPFYTWXXPR-GUBZILKMSA-N 2 0 213.325 0.215 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000870866237 589691756 /nfs/dbraw/zinc/69/17/56/589691756.db2.gz OVLWCLIQVQONAC-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000870872411 589693372 /nfs/dbraw/zinc/69/33/72/589693372.db2.gz UVENNRBTZBHIBE-QJPTWQEYSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000870892814 589695276 /nfs/dbraw/zinc/69/52/76/589695276.db2.gz MPHLRUYFWIARJI-AXFHLTTASA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)CC[NH2+]CC1CC1 ZINC000870935212 589695553 /nfs/dbraw/zinc/69/55/53/589695553.db2.gz VBYTVZZSDAATED-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H](C)C[NH2+]1 ZINC000870912400 589696249 /nfs/dbraw/zinc/69/62/49/589696249.db2.gz FWOBVXZMLSNFFR-BJDJZHNGSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H](C)C[NH2+]1 ZINC000870912401 589696523 /nfs/dbraw/zinc/69/65/23/589696523.db2.gz FWOBVXZMLSNFFR-DDHJBXDOSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000870913616 589696694 /nfs/dbraw/zinc/69/66/94/589696694.db2.gz YUBSEAGMBHVYNB-UZGDPCLZSA-N 2 0 249.358 0.326 20 0 BCADRP C[C@H]1CN(C(=O)CCC23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000870913280 589696731 /nfs/dbraw/zinc/69/67/31/589696731.db2.gz SBDMYWXSBAYUCW-ZBOXLXRLSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CC[NH2+]CC1CC1 ZINC000870912536 589696771 /nfs/dbraw/zinc/69/67/71/589696771.db2.gz HIHZWZNYDQYLCI-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]C1(CNC(=O)CCC23CC(C2)C[NH2+]3)CCC1 ZINC000870913384 589696818 /nfs/dbraw/zinc/69/68/18/589696818.db2.gz UAICRRANVIRMLJ-UHFFFAOYSA-N 2 0 237.347 0.516 20 0 BCADRP C[C@@H]1CN(C(=O)CC[NH2+]CC2CC2)[C@H](C)C[NH2+]1 ZINC000870912533 589696995 /nfs/dbraw/zinc/69/69/95/589696995.db2.gz HIHZWZNYDQYLCI-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]CC[C@H](NC(=O)CC[NH2+]CC1CC1)C(F)F ZINC000870944541 589697065 /nfs/dbraw/zinc/69/70/65/589697065.db2.gz IITSHAOLCMJGSJ-VIFPVBQESA-N 2 0 249.305 0.475 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870931361 589697673 /nfs/dbraw/zinc/69/76/73/589697673.db2.gz UAYVEAQYOTUOSL-AKJDGMEZSA-N 2 0 237.347 0.468 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870934229 589698113 /nfs/dbraw/zinc/69/81/13/589698113.db2.gz HTVQGRICKHXPGR-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870933186 589698204 /nfs/dbraw/zinc/69/82/04/589698204.db2.gz QRBYAQQDHIAXML-PHIMTYICSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870935598 589698347 /nfs/dbraw/zinc/69/83/47/589698347.db2.gz ZJMWRNPSHRAUAS-XSRFYTQQSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000870936191 589698362 /nfs/dbraw/zinc/69/83/62/589698362.db2.gz CYFRGMMPIABYFF-QCNOEVLYSA-N 2 0 239.363 0.700 20 0 BCADRP CN(C(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@@H]1CC[NH2+]C1 ZINC000870936195 589698370 /nfs/dbraw/zinc/69/83/70/589698370.db2.gz DCJAJTKPHXNQNM-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP CN(C(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CC[NH2+]C1 ZINC000870936194 589698477 /nfs/dbraw/zinc/69/84/77/589698477.db2.gz DCJAJTKPHXNQNM-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870934959 589698506 /nfs/dbraw/zinc/69/85/06/589698506.db2.gz ICSLQRPDHLMGCQ-MGCOHNPYSA-N 2 0 213.325 0.230 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000870934432 589698527 /nfs/dbraw/zinc/69/85/27/589698527.db2.gz NNJPNMAEHSCFCL-MEWQQHAOSA-N 2 0 237.347 0.230 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)NCC[NH2+]C2CC2)CC1 ZINC000870935934 589698636 /nfs/dbraw/zinc/69/86/36/589698636.db2.gz VBQBMCDXUOBOMW-AOOOYVTPSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870937241 589698814 /nfs/dbraw/zinc/69/88/14/589698814.db2.gz XIYHKZAJXKWABN-MXWKQRLJSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870940384 589699197 /nfs/dbraw/zinc/69/91/97/589699197.db2.gz IOCVTGPCKNHWQK-IIEKFROSSA-N 2 0 237.347 0.228 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870940382 589699198 /nfs/dbraw/zinc/69/91/98/589699198.db2.gz IOCVTGPCKNHWQK-FBUUZDRASA-N 2 0 237.347 0.228 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870939138 589699208 /nfs/dbraw/zinc/69/92/08/589699208.db2.gz KWGVCORWGMTYQB-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870939581 589699239 /nfs/dbraw/zinc/69/92/39/589699239.db2.gz YOMCERHCKLNGTL-LPEHRKFASA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+][C@H](CNC(=O)CC[NH2+]CC1CC1)C1CC1 ZINC000870938803 589699247 /nfs/dbraw/zinc/69/92/47/589699247.db2.gz FXYZFHUQERIQOC-LLVKDONJSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000870939467 589699287 /nfs/dbraw/zinc/69/92/87/589699287.db2.gz UTASJSQOQPVAFQ-DDHJBXDOSA-N 2 0 239.363 0.700 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000870939798 589699321 /nfs/dbraw/zinc/69/93/21/589699321.db2.gz CTABHKGGJCLZMK-ZZZDWPBISA-N 2 0 237.347 0.500 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870940284 589699368 /nfs/dbraw/zinc/69/93/68/589699368.db2.gz HPLBSICUCPSRKA-DDHJBXDOSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])CC1)C1CC1 ZINC000870939202 589699373 /nfs/dbraw/zinc/69/93/73/589699373.db2.gz MORQIULRTOSPQS-GMTAPVOTSA-N 2 0 225.336 0.357 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870939398 589699379 /nfs/dbraw/zinc/69/93/79/589699379.db2.gz RTVVGRYCZWRWTF-AOOOYVTPSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000870940229 589699383 /nfs/dbraw/zinc/69/93/83/589699383.db2.gz IRTHFPABXJBEPM-WISYIIOYSA-N 2 0 239.363 0.890 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000870941348 589699579 /nfs/dbraw/zinc/69/95/79/589699579.db2.gz VWSBZDVZTPDMED-SRVKXCTJSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000870941601 589699634 /nfs/dbraw/zinc/69/96/34/589699634.db2.gz ZJJVLCZIOSRLSN-FIQHERPVSA-N 2 0 239.363 0.890 20 0 BCADRP CC1([NH3+])CCN(C(=O)CC[NH2+]CC2CC2)CC1 ZINC000870940879 589699784 /nfs/dbraw/zinc/69/97/84/589699784.db2.gz PRHAJVHUCDBGGQ-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP O=C(CCC12CC(C1)C[NH2+]2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000870943128 589700038 /nfs/dbraw/zinc/70/00/38/589700038.db2.gz XVWOTBLSCLLCHF-OEIYDUSMSA-N 2 0 249.358 0.196 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870947463 589700888 /nfs/dbraw/zinc/70/08/88/589700888.db2.gz PSELVHYTKOECIF-SQLBVSGCSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]C1(CNC(=O)CC[NH2+]CC2CC2)CCCC1 ZINC000870953908 589700993 /nfs/dbraw/zinc/70/09/93/589700993.db2.gz SBNWBQXTDYHLPO-UHFFFAOYSA-N 2 0 239.363 0.764 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)CC[NH2+]CC1CC1 ZINC000870951921 589701273 /nfs/dbraw/zinc/70/12/73/589701273.db2.gz IEMGALLCFNKPCI-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000870957594 589701388 /nfs/dbraw/zinc/70/13/88/589701388.db2.gz OWZKUGZORSXWKD-GWOFURMSSA-N 2 0 243.326 0.402 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870956821 589701433 /nfs/dbraw/zinc/70/14/33/589701433.db2.gz KAYBPBQXCUMDEE-IJLUTSLNSA-N 2 0 241.379 0.994 20 0 BCADRP [NH3+][C@@H]1CN(C(=O)CC[NH2+]CC2CC2)CC[C@H]1F ZINC000870957497 589701464 /nfs/dbraw/zinc/70/14/64/589701464.db2.gz MIWUSSGWZITISJ-GHMZBOCLSA-N 2 0 243.326 0.274 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000870965317 589701664 /nfs/dbraw/zinc/70/16/64/589701664.db2.gz NXCBIKBGZNLEQN-MMWGEVLESA-N 2 0 227.352 0.459 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000870965318 589701678 /nfs/dbraw/zinc/70/16/78/589701678.db2.gz NXCBIKBGZNLEQN-UKKRHICBSA-N 2 0 227.352 0.459 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)C1 ZINC000870963534 589701829 /nfs/dbraw/zinc/70/18/29/589701829.db2.gz MXRRYFIVKVTEMD-SRRSOLGSSA-N 2 0 237.347 0.230 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000870964244 589701941 /nfs/dbraw/zinc/70/19/41/589701941.db2.gz UZINJGBAIUARKD-DBIOUOCHSA-N 2 0 225.336 0.357 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965471 589702222 /nfs/dbraw/zinc/70/22/22/589702222.db2.gz RIXLKQSJGVRYCW-OUAUKWLOSA-N 2 0 241.379 0.864 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000870972802 589703623 /nfs/dbraw/zinc/70/36/23/589703623.db2.gz VPOWOTUNOOAVON-HJQYOEGKSA-N 2 0 237.347 0.371 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000870972009 589703661 /nfs/dbraw/zinc/70/36/61/589703661.db2.gz NKRRDYLSMMUZTD-KYZUINATSA-N 2 0 211.309 0.111 20 0 BCADRP [NH3+]Cc1cccc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)c1 ZINC000870972093 589703781 /nfs/dbraw/zinc/70/37/81/589703781.db2.gz RLSGWNRUUJDJFA-UMSPYCQHSA-N 2 0 233.315 0.612 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973323 589704198 /nfs/dbraw/zinc/70/41/98/589704198.db2.gz RUSCOLBDADCLAA-CHWFTXMASA-N 2 0 225.336 0.371 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)CCCC[NH3+])CC[C@@H]21 ZINC000870981584 589704502 /nfs/dbraw/zinc/70/45/02/589704502.db2.gz JMNYILXVKBHVBP-RYUDHWBXSA-N 2 0 239.363 0.668 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH2+]3)CC[C@H]21 ZINC000870982762 589704998 /nfs/dbraw/zinc/70/49/98/589704998.db2.gz PEGXUAWKFUXPFX-IJLUTSLNSA-N 2 0 237.347 0.291 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870987526 589706860 /nfs/dbraw/zinc/70/68/60/589706860.db2.gz LAFVPGRMCSUVLI-GXSJLCMTSA-N 2 0 227.352 0.489 20 0 BCADRP C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)C1CC[NH2+]CC1 ZINC000870987552 589706878 /nfs/dbraw/zinc/70/68/78/589706878.db2.gz MMPHUHXCPMRXJS-CABZTGNLSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870987786 589707005 /nfs/dbraw/zinc/70/70/05/589707005.db2.gz RJCBQBRIMTWFSK-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CCC[NH3+])C1 ZINC000870993752 589707795 /nfs/dbraw/zinc/70/77/95/589707795.db2.gz LZKKIXCHDOCOGV-CYBMUJFWSA-N 2 0 241.379 0.949 20 0 BCADRP C[NH2+]CC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870990749 589708077 /nfs/dbraw/zinc/70/80/77/589708077.db2.gz BCLOKWBPHYRGSB-LBPRGKRZSA-N 2 0 227.352 0.429 20 0 BCADRP COCCN(C)C(=[NH2+])NC[C@H]1CC[N@H+](C)C1 ZINC000871604018 589774305 /nfs/dbraw/zinc/77/43/05/589774305.db2.gz PSEIPNRJXZIGFP-SNVBAGLBSA-N 2 0 228.340 0.041 20 0 BCADRP COCCN(C)C(=[NH2+])NC[C@@H](C)C[NH+](C)C ZINC000871607065 589775513 /nfs/dbraw/zinc/77/55/13/589775513.db2.gz WHDVCXLWHVWJLO-SNVBAGLBSA-N 2 0 230.356 0.287 20 0 BCADRP [NH3+]CCCc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871792256 589820021 /nfs/dbraw/zinc/82/00/21/589820021.db2.gz SQBUOSCLVNOFOA-PBINXNQUSA-N 2 0 236.319 0.959 20 0 BCADRP C[C@H]([NH3+])Cc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871791675 589820297 /nfs/dbraw/zinc/82/02/97/589820297.db2.gz FYJVVICURSKMQI-BFARCFIYSA-N 2 0 236.319 0.957 20 0 BCADRP FC(F)[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000872146477 589884641 /nfs/dbraw/zinc/88/46/41/589884641.db2.gz OUBIXQALJQIPPW-ZJUUUORDSA-N 2 0 234.290 0.952 20 0 BCADRP FC(F)[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000872146476 589885215 /nfs/dbraw/zinc/88/52/15/589885215.db2.gz OUBIXQALJQIPPW-VHSXEESVSA-N 2 0 234.290 0.952 20 0 BCADRP OCC1(CO)CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000872146827 589885414 /nfs/dbraw/zinc/88/54/14/589885414.db2.gz YMQGLLUNRXTKBA-GFCCVEGCSA-N 2 0 242.363 0.053 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872256575 589901228 /nfs/dbraw/zinc/90/12/28/589901228.db2.gz WEFKOWCZUVHFMY-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000872290284 589906597 /nfs/dbraw/zinc/90/65/97/589906597.db2.gz LBYBRYLSBHPCRF-LBPRGKRZSA-N 2 0 243.326 0.289 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872287612 589906768 /nfs/dbraw/zinc/90/67/68/589906768.db2.gz BOYLCVPWNFJVRV-MXWKQRLJSA-N 2 0 227.352 0.748 20 0 BCADRP CC[NH2+]CC(=O)N1CC[NH2+]CCC1(C)C ZINC000872290277 589906859 /nfs/dbraw/zinc/90/68/59/589906859.db2.gz KVQAEWYHWXHUPA-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP CN(C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1(C[NH3+])CCC1 ZINC000872293571 589907240 /nfs/dbraw/zinc/90/72/40/589907240.db2.gz ZRHQRAIVDVTWRR-NRUUGDAUSA-N 2 0 237.347 0.454 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[NH2+]CCC1(C)C ZINC000872297597 589907807 /nfs/dbraw/zinc/90/78/07/589907807.db2.gz RSXADKQQZOWQQD-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000872308664 589908676 /nfs/dbraw/zinc/90/86/76/589908676.db2.gz HSJFPNJJPPYCSQ-FIQHERPVSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000872311583 589909164 /nfs/dbraw/zinc/90/91/64/589909164.db2.gz RPDLWAOAKCNJSN-XJBAAKRRSA-N 2 0 249.358 0.467 20 0 BCADRP C[NH2+]CCN(C)C(=O)c1cccc2c1CC[NH2+]C2 ZINC000124299627 589974126 /nfs/dbraw/zinc/97/41/26/589974126.db2.gz YHJRCXCCZFEUKC-UHFFFAOYSA-N 2 0 247.342 0.624 20 0 BCADRP C[NH2+]CCC1CC[NH+](Cc2cnc(N)cn2)CC1 ZINC000873201580 589993346 /nfs/dbraw/zinc/99/33/46/589993346.db2.gz MEDVCRNKVVMYAA-UHFFFAOYSA-N 2 0 249.362 0.880 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+]Cc1cnc(N)cn1 ZINC000873211507 589995724 /nfs/dbraw/zinc/99/57/24/589995724.db2.gz AQOKFRBISGANQH-MRVPVSSYSA-N 2 0 209.297 0.276 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000873211249 589995909 /nfs/dbraw/zinc/99/59/09/589995909.db2.gz WQHZMFGOQIGOLU-UTUOFQBUSA-N 2 0 211.353 0.511 20 0 BCADRP [NH3+]CC1(CN[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000873212497 589996081 /nfs/dbraw/zinc/99/60/81/589996081.db2.gz MLBLVJNUXFGGMF-QMMMGPOBSA-N 2 0 219.279 0.312 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NCc1cnc(N)cn1 ZINC000873214036 589997056 /nfs/dbraw/zinc/99/70/56/589997056.db2.gz VLEUUUWIBDPPPE-SFYZADRCSA-N 2 0 209.297 0.274 20 0 BCADRP FC1(F)CC[NH2+]C[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000873212727 589997473 /nfs/dbraw/zinc/99/74/73/589997473.db2.gz RCBAXXQDVQFEPQ-HWOCKDDLSA-N 2 0 231.290 0.325 20 0 BCADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000873220013 589999028 /nfs/dbraw/zinc/99/90/28/589999028.db2.gz FZXSMHANXFBOIM-LLVKDONJSA-N 3 0 225.380 0.964 20 0 BCADRP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CC[NH2+]CC1 ZINC000873219957 589999038 /nfs/dbraw/zinc/99/90/38/589999038.db2.gz HVXMHUNTCHXLLO-ZBOXLXRLSA-N 3 0 223.364 0.716 20 0 BCADRP C[C@@H]([NH2+][C@@H]1CCCNC1)C1CC[NH2+]CC1 ZINC000873221062 589999294 /nfs/dbraw/zinc/99/92/94/589999294.db2.gz ZBXONSPDTFZLHR-ZYHUDNBSSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H]([NH2+][C@H]1CNC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873221016 589999550 /nfs/dbraw/zinc/99/95/50/589999550.db2.gz XEWXGMHXMPNWDI-DMDPSCGWSA-N 2 0 225.380 0.962 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(CC(C)(C)[NH3+])CC[C@@H]21 ZINC000873221442 589999653 /nfs/dbraw/zinc/99/96/53/589999653.db2.gz KLVCQGFTZXUIDT-MNOVXSKESA-N 2 0 211.353 0.750 20 0 BCADRP CC(C)([NH3+])CN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000873228266 590000756 /nfs/dbraw/zinc/00/07/56/590000756.db2.gz RAPUSTQJVGSWCR-YUMQZZPRSA-N 2 0 239.285 0.793 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C[C@]13C[C@H]1C[NH2+]C3)C2 ZINC000873229002 590000795 /nfs/dbraw/zinc/00/07/95/590000795.db2.gz NCPIPXJECHHEHM-WUHRBBMRSA-N 2 0 221.348 0.137 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccnn1C ZINC000873252128 590005856 /nfs/dbraw/zinc/00/58/56/590005856.db2.gz ZYNCLBCYHIYMQF-LPEHRKFASA-N 2 0 208.309 0.808 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000873239383 590005909 /nfs/dbraw/zinc/00/59/09/590005909.db2.gz VGBWDWAKZWSSBL-NTZHIAQWSA-N 2 0 222.332 0.879 20 0 BCADRP COC(=O)N1CCC([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000873248633 590007412 /nfs/dbraw/zinc/00/74/12/590007412.db2.gz CHFOTPMTWISFSM-AOOOYVTPSA-N 2 0 241.335 0.544 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000873250327 590008343 /nfs/dbraw/zinc/00/83/43/590008343.db2.gz OYBZJBKTPKJQEN-WHOHXGKFSA-N 3 0 211.353 0.973 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccn(C)n1 ZINC000873250929 590008356 /nfs/dbraw/zinc/00/83/56/590008356.db2.gz RUTJDJAPTXAAPI-LPEHRKFASA-N 2 0 208.309 0.808 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000873251516 590008795 /nfs/dbraw/zinc/00/87/95/590008795.db2.gz WFONOBXHRFNDRL-NJMOYASZSA-N 3 0 223.364 0.701 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000873251510 590009179 /nfs/dbraw/zinc/00/91/79/590009179.db2.gz WFONOBXHRFNDRL-JZRPKSSGSA-N 3 0 223.364 0.701 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000873253614 590009345 /nfs/dbraw/zinc/00/93/45/590009345.db2.gz BEDGFMGGTHTRSE-WISYIIOYSA-N 3 0 211.353 0.796 20 0 BCADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000873253612 590009894 /nfs/dbraw/zinc/00/98/94/590009894.db2.gz BEDGFMGGTHTRSE-NNYUYHANSA-N 3 0 211.353 0.796 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000873255317 590010112 /nfs/dbraw/zinc/01/01/12/590010112.db2.gz GEBSQPHMQVQRCN-XYPYZODXSA-N 2 0 223.364 0.940 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cnccc1N ZINC000873255937 590010869 /nfs/dbraw/zinc/01/08/69/590010869.db2.gz KPMLLUSJYPFYHP-GUBZILKMSA-N 2 0 220.320 0.882 20 0 BCADRP C[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000873272404 590016464 /nfs/dbraw/zinc/01/64/64/590016464.db2.gz RVEKBRDWAVUCFY-GMXVVIOVSA-N 2 0 225.380 0.962 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccnn1C ZINC000873274184 590017092 /nfs/dbraw/zinc/01/70/92/590017092.db2.gz BJXNGJDXCCDODV-WDEREUQCSA-N 2 0 240.351 0.825 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cncn1C ZINC000873276265 590017588 /nfs/dbraw/zinc/01/75/88/590017588.db2.gz OEKGUDUGDWJKPD-ZYHUDNBSSA-N 2 0 222.336 0.898 20 0 BCADRP c1ccc2c(c1)C[NH2+][C@H](CN[C@@H]1CC[NH2+]C1)C2 ZINC000873295856 590023939 /nfs/dbraw/zinc/02/39/39/590023939.db2.gz ADYVXQUIOJTDIE-KGLIPLIRSA-N 2 0 231.343 0.652 20 0 BCADRP Cc1nonc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000873295679 590024062 /nfs/dbraw/zinc/02/40/62/590024062.db2.gz NGNZHSVPECSRDL-QMMMGPOBSA-N 2 0 212.297 0.985 20 0 BCADRP C[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC000874267643 590101453 /nfs/dbraw/zinc/10/14/53/590101453.db2.gz AJNARTPKCVNHEE-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC000874299910 590102898 /nfs/dbraw/zinc/10/28/98/590102898.db2.gz DNZNWQRMPIINCH-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)[NH+](C)C ZINC000874468868 590113330 /nfs/dbraw/zinc/11/33/30/590113330.db2.gz SXQGPEXWCOTNMX-GHMZBOCLSA-N 2 0 229.368 0.639 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCCC1CC[NH+](C)CC1 ZINC000125139560 590126304 /nfs/dbraw/zinc/12/63/04/590126304.db2.gz BGRABBHQFMTCSX-JTQLQIEISA-N 2 0 227.352 0.429 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)[NH+](C)C ZINC000874822165 590141038 /nfs/dbraw/zinc/14/10/38/590141038.db2.gz GKIBRNVPZUCDEM-TUAOUCFPSA-N 2 0 239.363 0.632 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876524191 590207905 /nfs/dbraw/zinc/20/79/05/590207905.db2.gz LTEFHNYOKRGSCZ-HTQZYQBOSA-N 2 0 213.325 0.213 20 0 BCADRP [NH3+]C1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876501019 590202844 /nfs/dbraw/zinc/20/28/44/590202844.db2.gz MNGLOIDKGRZIAZ-YPMHNXCESA-N 2 0 237.347 0.468 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000876501510 590203335 /nfs/dbraw/zinc/20/33/35/590203335.db2.gz PPLJICPGNKCTTM-LPEHRKFASA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)C1 ZINC000876503715 590204068 /nfs/dbraw/zinc/20/40/68/590204068.db2.gz DGHQAQBECSIQHT-CBZSPVTBSA-N 2 0 223.320 0.102 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)C1 ZINC000876504580 590204126 /nfs/dbraw/zinc/20/41/26/590204126.db2.gz PTOKSGQXTJFNOI-XLMCQVRKSA-N 2 0 237.347 0.363 20 0 BCADRP [NH3+]CCCNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876505420 590204599 /nfs/dbraw/zinc/20/45/99/590204599.db2.gz UQQVSNGQSCWFFR-ORAHPGNNSA-N 2 0 211.309 0.007 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000876513111 590206115 /nfs/dbraw/zinc/20/61/15/590206115.db2.gz HTJOZJKBFHHGNU-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H](C(=O)N1CCC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000876513626 590206168 /nfs/dbraw/zinc/20/61/68/590206168.db2.gz GOQITIXFANHACW-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876515737 590206414 /nfs/dbraw/zinc/20/64/14/590206414.db2.gz WUXUTDNDVQXXHS-VWYCJHECSA-N 2 0 243.326 0.274 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000876514950 590206426 /nfs/dbraw/zinc/20/64/26/590206426.db2.gz WBMXFRNGULILKX-OUAUKWLOSA-N 2 0 239.363 0.557 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000876522020 590207486 /nfs/dbraw/zinc/20/74/86/590207486.db2.gz FGMDWWVFUJVTAV-IVZWLZJFSA-N 2 0 225.336 0.228 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876520876 590207568 /nfs/dbraw/zinc/20/75/68/590207568.db2.gz FAALJKGTEBGZOQ-RKDXNWHRSA-N 2 0 213.325 0.086 20 0 BCADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NC[C@H]1CCC[NH2+]1 ZINC000876522678 590207780 /nfs/dbraw/zinc/20/77/80/590207780.db2.gz ZJXCSMOYKYTZMQ-CYLBZQBVSA-N 2 0 237.347 0.410 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C[C@H](C)[NH2+]1 ZINC000876530026 590209795 /nfs/dbraw/zinc/20/97/95/590209795.db2.gz IXYQDZZKSGODRL-KZVJFYERSA-N 2 0 247.289 0.035 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000876528788 590209779 /nfs/dbraw/zinc/20/97/79/590209779.db2.gz ZFJBHELDEFARTD-CRTFULIASA-N 2 0 237.347 0.218 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876531727 590210238 /nfs/dbraw/zinc/21/02/38/590210238.db2.gz NKUZLHUXVXDNPI-ADRPCIBZSA-N 2 0 225.336 0.348 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876532375 590210396 /nfs/dbraw/zinc/21/03/96/590210396.db2.gz FSTDLODIFRDDTB-CIUDSAMLSA-N 2 0 249.305 0.316 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876533183 590210678 /nfs/dbraw/zinc/21/06/78/590210678.db2.gz PJSHMNSPOJFINI-GMTAPVOTSA-N 2 0 245.342 0.424 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC[C@@H]1[NH3+] ZINC000876533937 590210782 /nfs/dbraw/zinc/21/07/82/590210782.db2.gz XCYCJYNSVULPPQ-VPOLOUISSA-N 2 0 239.363 0.556 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876534638 590210825 /nfs/dbraw/zinc/21/08/25/590210825.db2.gz CQZGRUIHWWIICK-FOGDFJRCSA-N 2 0 245.342 0.424 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000876534851 590210886 /nfs/dbraw/zinc/21/08/86/590210886.db2.gz FDENULSKJZRLCX-QKPYMPQASA-N 2 0 239.363 0.498 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000876535683 590211373 /nfs/dbraw/zinc/21/13/73/590211373.db2.gz ZRACBEAQAZIKLN-MDZLAQPJSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876537970 590211667 /nfs/dbraw/zinc/21/16/67/590211667.db2.gz ADRDLLRRRFUHHE-SKDRFNHKSA-N 2 0 225.336 0.372 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000876538573 590211889 /nfs/dbraw/zinc/21/18/89/590211889.db2.gz KQWAMEWKXBDUQT-OPRDCNLKSA-N 2 0 225.336 0.310 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876539952 590212180 /nfs/dbraw/zinc/21/21/80/590212180.db2.gz RYMSXBPODCGZFO-YUMQZZPRSA-N 2 0 249.305 0.460 20 0 BCADRP [NH3+]CCCCCCC(=O)N[C@@H]1CC[NH2+]C1 ZINC000126019210 590214856 /nfs/dbraw/zinc/21/48/56/590214856.db2.gz RLQJPAIFYYCETP-SNVBAGLBSA-N 2 0 213.325 0.374 20 0 BCADRP [NH3+]CCCCCCC(=O)N[C@H]1CC[NH2+]C1 ZINC000126019432 590215113 /nfs/dbraw/zinc/21/51/13/590215113.db2.gz RLQJPAIFYYCETP-JTQLQIEISA-N 2 0 213.325 0.374 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876707297 590232242 /nfs/dbraw/zinc/23/22/42/590232242.db2.gz AODAQJZPLNAOPN-UWVGGRQHSA-N 2 0 231.315 0.002 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876711521 590232735 /nfs/dbraw/zinc/23/27/35/590232735.db2.gz ZLHPWYQFQXJXDV-VHSXEESVSA-N 2 0 245.342 0.390 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)NCC[NH+]2CCCC2)CC1 ZINC000876713559 590232793 /nfs/dbraw/zinc/23/27/93/590232793.db2.gz QSHCAHYINJODBV-TXEJJXNPSA-N 2 0 239.363 0.716 20 0 BCADRP O=C(NCC[NH+]1CCCC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876712537 590232843 /nfs/dbraw/zinc/23/28/43/590232843.db2.gz IQTYBIGAMJMRDU-WDEREUQCSA-N 2 0 243.326 0.146 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000876734068 590233947 /nfs/dbraw/zinc/23/39/47/590233947.db2.gz OKJMZYRGKURZQU-HBNTYKKESA-N 2 0 239.363 0.570 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)C1 ZINC000876733823 590234410 /nfs/dbraw/zinc/23/44/10/590234410.db2.gz IKHMPZRHNKRLFN-VWYCJHECSA-N 2 0 243.326 0.144 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876732605 590234478 /nfs/dbraw/zinc/23/44/78/590234478.db2.gz AWRGAOXEDCFLNT-GMTAPVOTSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876749381 590237002 /nfs/dbraw/zinc/23/70/02/590237002.db2.gz NIHIEIVBRVSWCS-MNOVXSKESA-N 2 0 245.342 0.390 20 0 BCADRP CN1CCN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)CC1 ZINC000876790178 590241240 /nfs/dbraw/zinc/24/12/40/590241240.db2.gz VKOBMQCPMSFOQB-ZYOFXKKJSA-N 2 0 237.347 0.316 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC000876790895 590241447 /nfs/dbraw/zinc/24/14/47/590241447.db2.gz FOXOEPWETZUQKU-WZRBSPASSA-N 2 0 237.347 0.372 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876791868 590241965 /nfs/dbraw/zinc/24/19/65/590241965.db2.gz JFQLBMBWABAUQW-DTWKUNHWSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876796789 590242561 /nfs/dbraw/zinc/24/25/61/590242561.db2.gz NQKSWFVCTBVTAX-IWSPIJDZSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876813895 590245223 /nfs/dbraw/zinc/24/52/23/590245223.db2.gz YIZVRCVKYDJVKS-RCWTZXSCSA-N 2 0 243.326 0.048 20 0 BCADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCC1=CC[NH2+]CC1 ZINC000876810748 590245483 /nfs/dbraw/zinc/24/54/83/590245483.db2.gz YSIPYVDDHGWVAC-PCAWENJQSA-N 2 0 249.358 0.578 20 0 BCADRP CC1([NH3+])CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000876826742 590246304 /nfs/dbraw/zinc/24/63/04/590246304.db2.gz HODRMXBHPFVLJQ-YUMQZZPRSA-N 2 0 247.289 0.166 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH2+]CC2)C1(F)F ZINC000876823489 590246347 /nfs/dbraw/zinc/24/63/47/590246347.db2.gz LTMNXBWJUCXDPK-DJLDLDEBSA-N 2 0 247.289 0.085 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000876826227 590246369 /nfs/dbraw/zinc/24/63/69/590246369.db2.gz LFZJQQBIJGSWMU-HBNTYKKESA-N 2 0 239.363 0.618 20 0 BCADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000876826344 590246539 /nfs/dbraw/zinc/24/65/39/590246539.db2.gz PMCRLHIANDCWCB-GKKDLHFNSA-N 2 0 237.347 0.410 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000876829128 590246879 /nfs/dbraw/zinc/24/68/79/590246879.db2.gz CPTREUVLJRLZTF-JTQLQIEISA-N 2 0 247.342 0.338 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CC[NH2+]1 ZINC000876829595 590246896 /nfs/dbraw/zinc/24/68/96/590246896.db2.gz WQUNKNQVWHAZJH-IVZWLZJFSA-N 2 0 225.336 0.180 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1(F)F ZINC000876828543 590246905 /nfs/dbraw/zinc/24/69/05/590246905.db2.gz APSFKOQZFALNSZ-JQCXWYLXSA-N 2 0 247.289 0.213 20 0 BCADRP CC1(C)[C@H](C(=O)NC2(C)CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000876833011 590247732 /nfs/dbraw/zinc/24/77/32/590247732.db2.gz KLNQDYCDOMWVAZ-UWVGGRQHSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC[NH2+]1 ZINC000876835106 590247818 /nfs/dbraw/zinc/24/78/18/590247818.db2.gz SJFFTSPBTKHWFG-HXFLIBJXSA-N 2 0 247.289 0.083 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876836652 590248317 /nfs/dbraw/zinc/24/83/17/590248317.db2.gz FOWWJTMNHVDCMZ-KXUCPTDWSA-N 2 0 227.352 0.474 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](C)[NH2+]CC ZINC000876836949 590248438 /nfs/dbraw/zinc/24/84/38/590248438.db2.gz LSHLKRNUSKOKFY-HSBNTGJMSA-N 2 0 239.363 0.512 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[NH+](C)C ZINC000876849239 590249540 /nfs/dbraw/zinc/24/95/40/590249540.db2.gz XDNUWZGBWWCRPW-WQMVXFAESA-N 2 0 225.336 0.076 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)CCC[NH3+] ZINC000876857328 590250027 /nfs/dbraw/zinc/25/00/27/590250027.db2.gz BCNUELCNOVSMDJ-MTZCQXGVSA-N 2 0 239.363 0.642 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876857944 590250101 /nfs/dbraw/zinc/25/01/01/590250101.db2.gz LCVVAOYKBJEKGY-BBBLOLIVSA-N 2 0 227.352 0.603 20 0 BCADRP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C)C1CC([NH3+])C1 ZINC000876862224 590250920 /nfs/dbraw/zinc/25/09/20/590250920.db2.gz KXNNJDSUFXMWIO-YDYPAMBWSA-N 2 0 225.336 0.308 20 0 BCADRP CN(C(=O)[C@H]1CC[C@@H]([NH3+])CC1)C1(C[NH3+])CCC1 ZINC000876867062 590251276 /nfs/dbraw/zinc/25/12/76/590251276.db2.gz PZRTUHOGSUGBSA-PHIMTYICSA-N 2 0 239.363 0.844 20 0 BCADRP CN(C(=O)CC[NH2+]CC1CC1)C1(C[NH3+])CCC1 ZINC000876866401 590251391 /nfs/dbraw/zinc/25/13/91/590251391.db2.gz FIAKIYYXMXACAT-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000876870305 590251472 /nfs/dbraw/zinc/25/14/72/590251472.db2.gz LXHFRAWITVYNDQ-LMLFDSFASA-N 2 0 239.363 0.603 20 0 BCADRP CC1(C)CN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000876871270 590251753 /nfs/dbraw/zinc/25/17/53/590251753.db2.gz IOVVHCRNQAHJNY-NXEZZACHSA-N 2 0 243.326 0.144 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[NH+](C)C ZINC000876871622 590251989 /nfs/dbraw/zinc/25/19/89/590251989.db2.gz MXWYFEGBHSMPPU-MXWKQRLJSA-N 2 0 225.336 0.147 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876872395 590251997 /nfs/dbraw/zinc/25/19/97/590251997.db2.gz YCALHLLTMOBUEJ-UTLUCORTSA-N 2 0 243.326 0.191 20 0 BCADRP O=C(C=C[C@H]1CCC[NH2+]C1)NCc1c[nH]cn1 ZINC000876882503 590253034 /nfs/dbraw/zinc/25/30/34/590253034.db2.gz JTIOERFAVGMCNV-UMBAGQNISA-N 2 0 234.303 0.582 20 0 BCADRP CN(C(=O)[C@H](F)[C@@H]1CC[NH2+]C1)[C@@H](C[NH3+])C1CC1 ZINC000876913316 590256009 /nfs/dbraw/zinc/25/60/09/590256009.db2.gz CUDVZRYGRHRINC-OUAUKWLOSA-N 2 0 243.326 0.130 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)C[C@H]1[NH3+] ZINC000876914267 590256317 /nfs/dbraw/zinc/25/63/17/590256317.db2.gz CTSGMDZFDVNSRU-RGOKHQFPSA-N 2 0 225.336 0.165 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876913745 590256387 /nfs/dbraw/zinc/25/63/87/590256387.db2.gz KMWVVTIILPZTSN-AEJSXWLSSA-N 2 0 241.379 0.849 20 0 BCADRP C[C@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000876919255 590257439 /nfs/dbraw/zinc/25/74/39/590257439.db2.gz UWDBQAZLQNCTOQ-LOWVWBTDSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876921219 590257508 /nfs/dbraw/zinc/25/75/08/590257508.db2.gz MOQRHFUDGJWDBB-ZJUUUORDSA-N 2 0 231.315 0.002 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000876925081 590257647 /nfs/dbraw/zinc/25/76/47/590257647.db2.gz SXRVUEYNECVTAT-JQWIXIFHSA-N 2 0 225.336 0.339 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876926769 590257665 /nfs/dbraw/zinc/25/76/65/590257665.db2.gz FZHDHFULEPPNNM-AOOOYVTPSA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876926681 590257804 /nfs/dbraw/zinc/25/78/04/590257804.db2.gz CMSDKYHLBGXSKR-QRGHLMKCSA-N 2 0 239.363 0.786 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000876927282 590257917 /nfs/dbraw/zinc/25/79/17/590257917.db2.gz XUAFYWATDLNTPW-UHFFFAOYSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000876927547 590258325 /nfs/dbraw/zinc/25/83/25/590258325.db2.gz FPNZXBRNDVETDY-DBIOUOCHSA-N 2 0 227.352 0.556 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876935006 590258631 /nfs/dbraw/zinc/25/86/31/590258631.db2.gz PVUHZFYZYXJGFX-KVPKETBZSA-N 2 0 235.278 0.068 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000876932839 590258691 /nfs/dbraw/zinc/25/86/91/590258691.db2.gz XSYCRWZAZYYVHJ-VXGBXAGGSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876935009 590258760 /nfs/dbraw/zinc/25/87/60/590258760.db2.gz PVUHZFYZYXJGFX-YWIQKCBGSA-N 2 0 235.278 0.068 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876933222 590258766 /nfs/dbraw/zinc/25/87/66/590258766.db2.gz JFQOSYDFYNOTPZ-LNFKQOIKSA-N 2 0 243.326 0.320 20 0 BCADRP CC[C@@H](C(=O)NCCCCCC[NH3+])[NH+](C)C ZINC000876938697 590258887 /nfs/dbraw/zinc/25/88/87/590258887.db2.gz NSAATXCCSSZNHC-NSHDSACASA-N 2 0 229.368 0.962 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876938212 590258914 /nfs/dbraw/zinc/25/89/14/590258914.db2.gz VJXWTWFKQZEQAL-MNOVXSKESA-N 2 0 245.342 0.569 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000876935899 590258958 /nfs/dbraw/zinc/25/89/58/590258958.db2.gz SOIYRGXEESVXOT-NMXRIKESSA-N 2 0 239.363 0.640 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCCCCCC[NH3+] ZINC000876937840 590259144 /nfs/dbraw/zinc/25/91/44/590259144.db2.gz FRQKRNFKXIJWRY-SNVBAGLBSA-N 2 0 215.341 0.620 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCCC[NH2+]C1CC1 ZINC000876939449 590259306 /nfs/dbraw/zinc/25/93/06/590259306.db2.gz ZGCZWSYNPXYGDV-GHMZBOCLSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)NCCC[NH2+]C2CC2)C1(F)F ZINC000876939442 590259367 /nfs/dbraw/zinc/25/93/67/590259367.db2.gz ZBIVNNSPSKXHJL-RKDXNWHRSA-N 2 0 247.289 0.085 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876952577 590260215 /nfs/dbraw/zinc/26/02/15/590260215.db2.gz UETHYFDDBBWAHV-GWOFURMSSA-N 2 0 239.363 0.698 20 0 BCADRP C[C@H](CCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C)[NH+](C)C ZINC000876960672 590261594 /nfs/dbraw/zinc/26/15/94/590261594.db2.gz JQZFDXKDBSZTMX-MXWKQRLJSA-N 2 0 241.379 0.816 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000876968651 590262541 /nfs/dbraw/zinc/26/25/41/590262541.db2.gz JFFNGLQSZRNMID-ZDOAFRLRSA-N 2 0 249.358 0.348 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876976478 590263509 /nfs/dbraw/zinc/26/35/09/590263509.db2.gz LWXUJFHFWVGIDD-MXWKQRLJSA-N 2 0 245.342 0.424 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](C)C[NH2+]C ZINC000876978215 590263777 /nfs/dbraw/zinc/26/37/77/590263777.db2.gz LPJCDBBUJOXPFQ-OZUGTNHESA-N 2 0 225.336 0.122 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)C[NH2+]C ZINC000876978216 590263801 /nfs/dbraw/zinc/26/38/01/590263801.db2.gz LPJCDBBUJOXPFQ-VMZVSEJASA-N 2 0 225.336 0.122 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876976927 590263995 /nfs/dbraw/zinc/26/39/95/590263995.db2.gz PNBJCHPPEBJOMX-HBNTYKKESA-N 2 0 241.379 0.849 20 0 BCADRP C[C@]1(NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC[NH2+]C1 ZINC000876980829 590264565 /nfs/dbraw/zinc/26/45/65/590264565.db2.gz NONJUVHUXWVFAU-WXHSDQCUSA-N 2 0 237.347 0.387 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000877004477 590267996 /nfs/dbraw/zinc/26/79/96/590267996.db2.gz KAWDVJPKWZSNDK-LLVKDONJSA-N 2 0 239.363 0.906 20 0 BCADRP CCN(CC[NH3+])C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000877005771 590268252 /nfs/dbraw/zinc/26/82/52/590268252.db2.gz MFQVJEIAVPBGDX-MVIFTORASA-N 2 0 225.336 0.349 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000877005839 590268484 /nfs/dbraw/zinc/26/84/84/590268484.db2.gz MPTZJDOIBKQGTP-IUCAKERBSA-N 2 0 213.325 0.167 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000877023475 590270677 /nfs/dbraw/zinc/27/06/77/590270677.db2.gz SPDXURZSYUSVHL-YTWAJWBKSA-N 2 0 243.326 0.191 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)CCCCC[NH3+])C[NH2+]1 ZINC000877050963 590274773 /nfs/dbraw/zinc/27/47/73/590274773.db2.gz JZEYKEPAZXMDMR-MNOVXSKESA-N 2 0 227.352 0.762 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)C=C2CC[NH2+]CC2)C[NH2+]1 ZINC000877052052 590274935 /nfs/dbraw/zinc/27/49/35/590274935.db2.gz OVIWQHUGUJBJLS-JQWIXIFHSA-N 2 0 237.347 0.553 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC000877050931 590274946 /nfs/dbraw/zinc/27/49/46/590274946.db2.gz JMRYLBNDAHIJTJ-SRVKXCTJSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C[NH2+]1 ZINC000877052330 590275382 /nfs/dbraw/zinc/27/53/82/590275382.db2.gz QPZDIXXSODRZIR-DDHJBXDOSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)C[NH2+]1 ZINC000877052337 590275492 /nfs/dbraw/zinc/27/54/92/590275492.db2.gz QVKBSFLDRWBAOO-CHWFTXMASA-N 2 0 243.326 0.191 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000877094703 590281348 /nfs/dbraw/zinc/28/13/48/590281348.db2.gz BNQCMSHUCXVYEL-BJDJZHNGSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000877095408 590281872 /nfs/dbraw/zinc/28/18/72/590281872.db2.gz LUPPPMXUXATTJB-MFKMUULPSA-N 2 0 247.342 0.679 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000877095764 590282178 /nfs/dbraw/zinc/28/21/78/590282178.db2.gz QJQYEIVGOAKUIA-SDDRHHMPSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@H](C(=O)N(C)C[C@@H](C)[NH3+])[NH+](CC)CC ZINC000877102165 590283126 /nfs/dbraw/zinc/28/31/26/590283126.db2.gz ASFKNQIASHCBKW-GHMZBOCLSA-N 2 0 229.368 0.912 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000877102213 590283160 /nfs/dbraw/zinc/28/31/60/590283160.db2.gz BYNHNBNECDSNFL-HTQZYQBOSA-N 2 0 235.278 0.037 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000877103662 590284017 /nfs/dbraw/zinc/28/40/17/590284017.db2.gz XOHFNIPNLFSRSW-PWSUYJOCSA-N 2 0 235.331 0.882 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000877103661 590284300 /nfs/dbraw/zinc/28/43/00/590284300.db2.gz XOHFNIPNLFSRSW-JQWIXIFHSA-N 2 0 235.331 0.882 20 0 BCADRP CC[C@@H](C(=O)N(C)C[C@H](C)[NH3+])[NH+](C)C ZINC000877104353 590284324 /nfs/dbraw/zinc/28/43/24/590284324.db2.gz ANAXTRLUOFWACT-IUCAKERBSA-N 2 0 201.314 0.132 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000877103597 590284357 /nfs/dbraw/zinc/28/43/57/590284357.db2.gz PTYWIBFFROKJPR-NSHDSACASA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000877104501 590284661 /nfs/dbraw/zinc/28/46/61/590284661.db2.gz HOEHYJHEJPXKDS-LPEHRKFASA-N 2 0 213.325 0.310 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877107985 590286509 /nfs/dbraw/zinc/28/65/09/590286509.db2.gz NQDLYDAZXDYMET-LOTCAWRZSA-N 2 0 225.336 0.204 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH3+])CC[N@@H+]1C ZINC000877109001 590286545 /nfs/dbraw/zinc/28/65/45/590286545.db2.gz YTYNNWXMIUTIFO-GARJFASQSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C=C1CC[NH2+]CC1 ZINC000877109930 590286863 /nfs/dbraw/zinc/28/68/63/590286863.db2.gz VFDYVLRMQOHZOD-GXSJLCMTSA-N 2 0 223.320 0.163 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000877111943 590287342 /nfs/dbraw/zinc/28/73/42/590287342.db2.gz PDEFQOFAUQZOBS-SGIHWFKDSA-N 2 0 225.336 0.226 20 0 BCADRP C[C@@H]([NH3+])C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877134858 590291269 /nfs/dbraw/zinc/29/12/69/590291269.db2.gz ZSBWIVXDMDONKY-PPKCKEKNSA-N 2 0 219.288 0.787 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877155708 590293214 /nfs/dbraw/zinc/29/32/14/590293214.db2.gz WWQRPJMIYXOKLQ-MNOVXSKESA-N 2 0 241.379 0.879 20 0 BCADRP CC1(C)CC[C@H](CNC(=O)CC[NH3+])[NH2+]C1 ZINC000877158395 590293796 /nfs/dbraw/zinc/29/37/96/590293796.db2.gz RXWYESFQHRZCIA-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP CC1(C)CC[C@@H](CNC(=O)CC[NH3+])[NH2+]C1 ZINC000877158396 590294111 /nfs/dbraw/zinc/29/41/11/590294111.db2.gz RXWYESFQHRZCIA-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877157732 590294117 /nfs/dbraw/zinc/29/41/17/590294117.db2.gz LNUVPQWIYYSXCZ-LLVKDONJSA-N 2 0 241.379 0.880 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877158572 590294119 /nfs/dbraw/zinc/29/41/19/590294119.db2.gz UQDIZZURHBKXTQ-SNVBAGLBSA-N 2 0 227.352 0.490 20 0 BCADRP [NH3+]CCCCCCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877164714 590294805 /nfs/dbraw/zinc/29/48/05/590294805.db2.gz CCXXQYUFZFMGOP-QWRGUYRKSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877169849 590295745 /nfs/dbraw/zinc/29/57/45/590295745.db2.gz HNVOONUGPVRURJ-IEBDPFPHSA-N 2 0 223.320 0.090 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877172240 590296175 /nfs/dbraw/zinc/29/61/75/590296175.db2.gz NQUCSLUHRJLCPC-TXEJJXNPSA-N 2 0 235.331 0.259 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000877172299 590296311 /nfs/dbraw/zinc/29/63/11/590296311.db2.gz QBFRYALILAKPAR-YYEJGFRBSA-N 2 0 237.347 0.490 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000877171362 590296420 /nfs/dbraw/zinc/29/64/20/590296420.db2.gz FJRNKXMPNCKRJX-MMWGEVLESA-N 2 0 225.336 0.452 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCC12CC(C1)C[NH2+]2 ZINC000877171625 590296468 /nfs/dbraw/zinc/29/64/68/590296468.db2.gz IWFNVOSBODGFMZ-YLXHPXFOSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+]CCCCCC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187607 590298644 /nfs/dbraw/zinc/29/86/44/590298644.db2.gz CXBIETPFSGTIOF-UHFFFAOYSA-N 2 0 239.363 0.988 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187869 590298671 /nfs/dbraw/zinc/29/86/71/590298671.db2.gz KOHXYIWYQXQFQW-FKTRJACZSA-N 2 0 211.309 0.064 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187748 590298708 /nfs/dbraw/zinc/29/87/08/590298708.db2.gz GGWUGFPLHDAKJA-XSRFYTQQSA-N 2 0 239.363 0.857 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877188195 590298952 /nfs/dbraw/zinc/29/89/52/590298952.db2.gz SRZPZTOYMBLMAQ-URAGZPLESA-N 2 0 239.363 0.842 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1CCC[NH2+]1 ZINC000877191663 590299090 /nfs/dbraw/zinc/29/90/90/590299090.db2.gz AILKKGDNQVHKSV-YZRBJQDESA-N 2 0 223.320 0.221 20 0 BCADRP [NH3+]CCCC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877192319 590299195 /nfs/dbraw/zinc/29/91/95/590299195.db2.gz LMSFUCFDWZQPDO-UHFFFAOYSA-N 2 0 211.309 0.208 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877188194 590299203 /nfs/dbraw/zinc/29/92/03/590299203.db2.gz SRZPZTOYMBLMAQ-JJOYANBFSA-N 2 0 239.363 0.842 20 0 BCADRP CC(C)[NH+]1CCC(CCNC(=O)[C@@H](C)[NH3+])CC1 ZINC000877199895 590300756 /nfs/dbraw/zinc/30/07/56/590300756.db2.gz AHRZXUJYOMPBRP-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877248938 590301700 /nfs/dbraw/zinc/30/17/00/590301700.db2.gz GJJSLFAKVADMHI-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000877241311 590302404 /nfs/dbraw/zinc/30/24/04/590302404.db2.gz NCRLQXRAPDSMAT-MXWKQRLJSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@]([NH3+])(C(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000877243148 590302463 /nfs/dbraw/zinc/30/24/63/590302463.db2.gz HEZCVFBRCDBGQD-JKOKRWQUSA-N 2 0 247.342 0.714 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877243136 590302545 /nfs/dbraw/zinc/30/25/45/590302545.db2.gz GLQASTHHQLWAQM-BJDJZHNGSA-N 2 0 239.363 0.713 20 0 BCADRP CC[C@@]1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000877243447 590302860 /nfs/dbraw/zinc/30/28/60/590302860.db2.gz MHCMZHMDJGCGFD-NHCYSSNCSA-N 2 0 225.336 0.372 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877244103 590303085 /nfs/dbraw/zinc/30/30/85/590303085.db2.gz YLNMYKXKPYGZQT-AOOOYVTPSA-N 2 0 227.352 0.605 20 0 BCADRP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[NH+](CC)CC ZINC000877243767 590303087 /nfs/dbraw/zinc/30/30/87/590303087.db2.gz UDHCQBULIIDIAD-GRYCIOLGSA-N 2 0 241.379 0.960 20 0 BCADRP CC1(C)[C@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[C@@H]1[NH3+] ZINC000877244997 590303180 /nfs/dbraw/zinc/30/31/80/590303180.db2.gz YIBYCYPPUKILRR-XKNYDFJKSA-N 2 0 225.336 0.213 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877244242 590303220 /nfs/dbraw/zinc/30/32/20/590303220.db2.gz YLNMYKXKPYGZQT-MGCOHNPYSA-N 2 0 227.352 0.605 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)C1 ZINC000877244316 590303277 /nfs/dbraw/zinc/30/32/77/590303277.db2.gz AMNBVZDVBGCALK-PDBFFVIBSA-N 2 0 237.347 0.396 20 0 BCADRP [NH3+]CCc1ccccc1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877243998 590303342 /nfs/dbraw/zinc/30/33/42/590303342.db2.gz SSRGRIGEJRDVBQ-UMSPYCQHSA-N 2 0 247.342 0.655 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)CC[C@H]21 ZINC000877250324 590303427 /nfs/dbraw/zinc/30/34/27/590303427.db2.gz PEGXUAWKFUXPFX-SDDRHHMPSA-N 2 0 237.347 0.291 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246101 590303707 /nfs/dbraw/zinc/30/37/07/590303707.db2.gz OOPNAIVEPDLYHN-YFKTTZPYSA-N 2 0 239.363 0.631 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000877253042 590304097 /nfs/dbraw/zinc/30/40/97/590304097.db2.gz HVXZFNMMNWXVNP-FOGDFJRCSA-N 2 0 241.379 0.864 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000877258738 590304146 /nfs/dbraw/zinc/30/41/46/590304146.db2.gz WUXUTDNDVQXXHS-HBNTYKKESA-N 2 0 243.326 0.274 20 0 BCADRP C[C@H](NC(=O)CC1([NH3+])CC1)C1CC[NH2+]CC1 ZINC000877253731 590304191 /nfs/dbraw/zinc/30/41/91/590304191.db2.gz GFYMYAXAQFFICJ-VIFPVBQESA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C1CC[NH2+]CC1 ZINC000877255147 590304306 /nfs/dbraw/zinc/30/43/06/590304306.db2.gz QGEODVCBTKVDDL-GXSJLCMTSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877274641 590305452 /nfs/dbraw/zinc/30/54/52/590305452.db2.gz MCTFRNPCSXBXLP-GHMZBOCLSA-N 2 0 225.336 0.337 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000877272987 590305706 /nfs/dbraw/zinc/30/57/06/590305706.db2.gz BOIXZTDGJNAGFE-GWOFURMSSA-N 2 0 223.320 0.077 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877275251 590305877 /nfs/dbraw/zinc/30/58/77/590305877.db2.gz QVUDEASJTOKKFV-NWDGAFQWSA-N 2 0 237.347 0.481 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877281266 590306328 /nfs/dbraw/zinc/30/63/28/590306328.db2.gz GTJLAAIGPIVWHU-WOPDTQHZSA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+][C@H](CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)C1CC1 ZINC000877279985 590306541 /nfs/dbraw/zinc/30/65/41/590306541.db2.gz AUCPZBWWNAPTJF-WOPDTQHZSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877284335 590306670 /nfs/dbraw/zinc/30/66/70/590306670.db2.gz SUBVAJKAVRMUER-UKKRHICBSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877282724 590306790 /nfs/dbraw/zinc/30/67/90/590306790.db2.gz MUDSKUFPTQAULA-MVWJERBFSA-N 2 0 237.347 0.480 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877288783 590307438 /nfs/dbraw/zinc/30/74/38/590307438.db2.gz QTGVRDDCJBOPPT-SRVKXCTJSA-N 2 0 237.347 0.481 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877285353 590307452 /nfs/dbraw/zinc/30/74/52/590307452.db2.gz ZXCGXNPMDVYVDG-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373971 590317877 /nfs/dbraw/zinc/31/78/77/590317877.db2.gz RCJAMINSEGOJQJ-JFGNBEQYSA-N 2 0 225.336 0.182 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877343607 590318328 /nfs/dbraw/zinc/31/83/28/590318328.db2.gz ONZOMFGILSORGY-QWHCGFSZSA-N 2 0 247.342 0.554 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877375431 590319877 /nfs/dbraw/zinc/31/98/77/590319877.db2.gz XJHZPSNMZATWOB-WCQYABFASA-N 2 0 239.363 0.395 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373809 590320189 /nfs/dbraw/zinc/32/01/89/590320189.db2.gz KHMJJZLUPXCBDR-OPQQBVKSSA-N 2 0 237.347 0.052 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)C1 ZINC000877384156 590320911 /nfs/dbraw/zinc/32/09/11/590320911.db2.gz DMJAEQBQXBKXJD-MDZLAQPJSA-N 2 0 235.331 0.435 20 0 BCADRP O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000877389427 590321235 /nfs/dbraw/zinc/32/12/35/590321235.db2.gz CQUDGIQAIIIZJT-IMIFBBOLSA-N 2 0 249.358 0.387 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000877387701 590321596 /nfs/dbraw/zinc/32/15/96/590321596.db2.gz PUPFZKGWHZJBPI-KLBPJQLPSA-N 2 0 223.320 0.125 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877390723 590321899 /nfs/dbraw/zinc/32/18/99/590321899.db2.gz LSMFVJJQUSNFPS-ZPFDUUQYSA-N 2 0 237.347 0.385 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877392579 590322070 /nfs/dbraw/zinc/32/20/70/590322070.db2.gz SRLITVKOOMJORM-NHCYSSNCSA-N 2 0 225.336 0.515 20 0 BCADRP [NH3+][C@H](CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC000877390663 590322235 /nfs/dbraw/zinc/32/22/35/590322235.db2.gz KWUNLGCEOWGRFR-NQBHXWOUSA-N 2 0 237.347 0.515 20 0 BCADRP [NH3+]C1(CC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CCC1 ZINC000877398820 590322733 /nfs/dbraw/zinc/32/27/33/590322733.db2.gz HJFHSJCSPOXJBA-MFKMUULPSA-N 2 0 237.347 0.659 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877398873 590322855 /nfs/dbraw/zinc/32/28/55/590322855.db2.gz INELJJYXZIEWHM-DGCLKSJQSA-N 2 0 239.363 0.775 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)CC[NH3+] ZINC000877443500 590329160 /nfs/dbraw/zinc/32/91/60/590329160.db2.gz FHGZTJUCRZOYAX-UHFFFAOYSA-N 2 0 201.314 0.313 20 0 BCADRP O=C(N[C@]12CCC[C@H]1[NH2+]CC2)C1CC[NH2+]CC1 ZINC000877400801 590323760 /nfs/dbraw/zinc/32/37/60/590323760.db2.gz WPRIJGYJEUXLMT-YPMHNXCESA-N 2 0 237.347 0.387 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)CCCCCC[NH3+] ZINC000877436548 590327349 /nfs/dbraw/zinc/32/73/49/590327349.db2.gz IPJWXDGEKKRNGT-NSHDSACASA-N 2 0 229.368 0.962 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)CCCCCC[NH3+] ZINC000877437407 590327898 /nfs/dbraw/zinc/32/78/98/590327898.db2.gz DXQFHOKGZXKZQP-NSHDSACASA-N 2 0 229.368 0.962 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000877444730 590328707 /nfs/dbraw/zinc/32/87/07/590328707.db2.gz PFNVOPHXFIDWHJ-GFCCVEGCSA-N 2 0 245.342 0.666 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)CCCCCC[NH3+] ZINC000877443942 590329187 /nfs/dbraw/zinc/32/91/87/590329187.db2.gz IFFBHQRYKXBODI-JTQLQIEISA-N 2 0 215.341 0.701 20 0 BCADRP C[NH+]1CCC(NC(=O)C[NH+]2CCCCC2)CC1 ZINC000877945337 590454920 /nfs/dbraw/zinc/45/49/20/590454920.db2.gz TUDVACPLCRQIOZ-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP CC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573765 590809161 /nfs/dbraw/zinc/80/91/61/590809161.db2.gz RCUJKGZVFOUZPS-IJLUTSLNSA-N 2 0 212.337 0.783 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCCO)CC[C@H]21 ZINC000879572451 590809203 /nfs/dbraw/zinc/80/92/03/590809203.db2.gz HJGCDEAIUVZSMP-VXGBXAGGSA-N 2 0 212.337 0.785 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582026 590821675 /nfs/dbraw/zinc/82/16/75/590821675.db2.gz PJGBNSUXYPKZJP-SRVKXCTJSA-N 2 0 228.336 0.020 20 0 BCADRP C[C@H](O)CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582067 590822811 /nfs/dbraw/zinc/82/28/11/590822811.db2.gz PNKYQWORZQXYJO-SDDRHHMPSA-N 2 0 212.337 0.783 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC000882485157 591362482 /nfs/dbraw/zinc/36/24/82/591362482.db2.gz FOVWCCZIZCDEQB-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000882486922 591364217 /nfs/dbraw/zinc/36/42/17/591364217.db2.gz YPZKLKKCSPWHQJ-NEPJUHHUSA-N 2 0 241.379 0.783 20 0 BCADRP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC)[NH+](C)C ZINC000882489208 591366748 /nfs/dbraw/zinc/36/67/48/591366748.db2.gz OMUNATTZFBPTIO-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000882495983 591377686 /nfs/dbraw/zinc/37/76/86/591377686.db2.gz XJLHQKRYFWKAJR-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)[NH+](C)C ZINC000882496139 591378443 /nfs/dbraw/zinc/37/84/43/591378443.db2.gz PEBNNXYYJBTJBJ-NXEZZACHSA-N 2 0 213.325 0.147 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000129768146 591401518 /nfs/dbraw/zinc/40/15/18/591401518.db2.gz WFPJUVHCMJNPHN-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H](CNC(=O)c1ccnc(C[NH3+])c1)[NH+](C)C ZINC000130139397 591441911 /nfs/dbraw/zinc/44/19/11/591441911.db2.gz PUSNVHLNHVBTTE-SECBINFHSA-N 2 0 236.319 0.220 20 0 BCADRP [NH3+]CCCN(C[C@@H]1CC[NH2+]C1)CC(F)(F)F ZINC000883442140 591669408 /nfs/dbraw/zinc/66/94/08/591669408.db2.gz FWBBDRNCWKUMGV-SECBINFHSA-N 2 0 239.285 0.809 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883417384 591652401 /nfs/dbraw/zinc/65/24/01/591652401.db2.gz YMFBHOHOJPOBFR-USWWRNFRSA-N 2 0 229.343 0.746 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883416278 591653164 /nfs/dbraw/zinc/65/31/64/591653164.db2.gz QTETWMPXYBIDER-SRVKXCTJSA-N 2 0 229.343 0.618 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883418512 591654463 /nfs/dbraw/zinc/65/44/63/591654463.db2.gz KIYONIUPCLHTQS-SDDRHHMPSA-N 2 0 231.359 0.992 20 0 BCADRP CN(C[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000883423464 591658941 /nfs/dbraw/zinc/65/89/41/591658941.db2.gz LPNHKULBKCHBRL-GVXVVHGQSA-N 2 0 241.354 0.855 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2CN(C[C@@H]3C[C@H](F)C[NH2+]3)C[C@@H]21 ZINC000883425556 591659555 /nfs/dbraw/zinc/65/95/55/591659555.db2.gz XFLXDTONZZOAPW-PJSNJIKXSA-N 2 0 241.354 0.746 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883430076 591661476 /nfs/dbraw/zinc/66/14/76/591661476.db2.gz MQNXUJJOCGMWQV-WTPMCQDGSA-N 2 0 229.343 0.663 20 0 BCADRP CN(C[C@@H]1C[C@H](F)C[NH2+]1)CC(C)(C)[NH3+] ZINC000883434790 591664344 /nfs/dbraw/zinc/66/43/44/591664344.db2.gz AXMKOUAPJJWSLI-IUCAKERBSA-N 2 0 203.305 0.356 20 0 BCADRP [NH3+]CCCN(C[C@H]1CC[NH2+]C1)CC(F)(F)F ZINC000883442141 591669435 /nfs/dbraw/zinc/66/94/35/591669435.db2.gz FWBBDRNCWKUMGV-VIFPVBQESA-N 2 0 239.285 0.809 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(F)CC1 ZINC000883446474 591670357 /nfs/dbraw/zinc/67/03/57/591670357.db2.gz FJLYZZHTSFTYBV-SNVBAGLBSA-N 2 0 204.289 0.391 20 0 BCADRP CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)C[C@@H]2C1 ZINC000883448534 591670924 /nfs/dbraw/zinc/67/09/24/591670924.db2.gz IECNZSFDFFJGIS-UPJWGTAASA-N 2 0 237.347 0.006 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C[C@@H]1C[NH2+]CCO1 ZINC000883450282 591671125 /nfs/dbraw/zinc/67/11/25/591671125.db2.gz IBCBIUTVRZZHKL-NEPJUHHUSA-N 2 0 227.352 0.049 20 0 BCADRP C[NH2+]CCCN1CC[NH2+]CCC12CCC2 ZINC000883459102 591673715 /nfs/dbraw/zinc/67/37/15/591673715.db2.gz KAIVAJZSLIZPBR-UHFFFAOYSA-N 2 0 211.353 0.814 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CC[NH2+]CCC23CCC3)C1 ZINC000883459923 591674405 /nfs/dbraw/zinc/67/44/05/591674405.db2.gz KUCFGJFDWBDRPJ-RYUDHWBXSA-N 2 0 241.354 0.904 20 0 BCADRP CN(C(=O)[C@@H]1CCC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000131991328 591682285 /nfs/dbraw/zinc/68/22/85/591682285.db2.gz LGWQRCQZCPMDOS-VOMCLLRMSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](CCO)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000132412094 591706730 /nfs/dbraw/zinc/70/67/30/591706730.db2.gz FKYWVRWBIVWPGK-GHMZBOCLSA-N 2 0 200.326 0.689 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000883698076 591722562 /nfs/dbraw/zinc/72/25/62/591722562.db2.gz XGEXRJBFIVQLOE-QWRGUYRKSA-N 2 0 242.367 0.330 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000884009543 591796423 /nfs/dbraw/zinc/79/64/23/591796423.db2.gz YYEDIVNWJLKIEF-UWVGGRQHSA-N 2 0 225.336 0.052 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000884020742 591800003 /nfs/dbraw/zinc/80/00/03/591800003.db2.gz IKJKCZKEBJDYAI-MNOVXSKESA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000884017239 591800163 /nfs/dbraw/zinc/80/01/63/591800163.db2.gz PUOWXRNIUDFGAR-RYUDHWBXSA-N 2 0 241.379 0.736 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000884017640 591800441 /nfs/dbraw/zinc/80/04/41/591800441.db2.gz BJXSRQAASDNGMW-MNOVXSKESA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000884019410 591801831 /nfs/dbraw/zinc/80/18/31/591801831.db2.gz SLEWWYWVIGUMLP-WCQGTBRESA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000884024652 591804660 /nfs/dbraw/zinc/80/46/60/591804660.db2.gz YBJORZULLZDVMY-JTQLQIEISA-N 2 0 225.336 0.100 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000884023984 591805123 /nfs/dbraw/zinc/80/51/23/591805123.db2.gz DELUTWPYMJPHRD-QWRGUYRKSA-N 2 0 227.352 0.489 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884024924 591805841 /nfs/dbraw/zinc/80/58/41/591805841.db2.gz HSLQCKLQYVGLGH-JOYOIKCWSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884025945 591806804 /nfs/dbraw/zinc/80/68/04/591806804.db2.gz NDCKESMPXPGPER-LLVKDONJSA-N 2 0 241.379 0.736 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884025850 591807113 /nfs/dbraw/zinc/80/71/13/591807113.db2.gz KFNCSAOVUVKVLU-MRVPVSSYSA-N 2 0 213.325 0.086 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@@H]([NH3+])CC1CC1)c1ccccc1 ZINC000884026319 591809226 /nfs/dbraw/zinc/80/92/26/591809226.db2.gz ACCGAMQYZFDWAI-STQMWFEESA-N 2 0 247.342 0.930 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000884026826 591809582 /nfs/dbraw/zinc/80/95/82/591809582.db2.gz MNTHQMXBLAVOGV-WDEREUQCSA-N 2 0 239.363 0.348 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCC([NH2+]C)CC1 ZINC000884029513 591813792 /nfs/dbraw/zinc/81/37/92/591813792.db2.gz OGXOFNIODWEAPR-LBPRGKRZSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)C[C@@H](C)[NH2+]1 ZINC000884030664 591814156 /nfs/dbraw/zinc/81/41/56/591814156.db2.gz VBLHRQNMGDFBPT-KKZNHRDASA-N 2 0 225.336 0.323 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000884031847 591814821 /nfs/dbraw/zinc/81/48/21/591814821.db2.gz AYGWGRRATXCZRS-MNOVXSKESA-N 2 0 241.379 0.816 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000884032930 591815849 /nfs/dbraw/zinc/81/58/49/591815849.db2.gz DUIRCZRHESWXAQ-WOPDTQHZSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884035203 591817786 /nfs/dbraw/zinc/81/77/86/591817786.db2.gz UPXYPAZWWJSJGN-DGCLKSJQSA-N 2 0 241.379 0.994 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H]([NH3+])C(C)C ZINC000884035123 591817964 /nfs/dbraw/zinc/81/79/64/591817964.db2.gz SHVHFTXWQCIKKD-QWRGUYRKSA-N 2 0 229.368 0.720 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[NH2+]CC1(C)C ZINC000884037593 591818839 /nfs/dbraw/zinc/81/88/39/591818839.db2.gz GCLWMYFQCYOVBT-SNVBAGLBSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[NH2+]CC1(C)C ZINC000884037903 591820035 /nfs/dbraw/zinc/82/00/35/591820035.db2.gz QHQWJUYAMHXEEQ-NSHDSACASA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884040519 591821762 /nfs/dbraw/zinc/82/17/62/591821762.db2.gz VZZZTMRJJSZLCE-MNOVXSKESA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884041511 591823341 /nfs/dbraw/zinc/82/33/41/591823341.db2.gz ADHRGRKXHUZBSI-NEPJUHHUSA-N 2 0 241.379 0.946 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000884238362 591878434 /nfs/dbraw/zinc/87/84/34/591878434.db2.gz ZYJCJXHLFYQPNM-NEPJUHHUSA-N 2 0 237.347 0.467 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000884241918 591879465 /nfs/dbraw/zinc/87/94/65/591879465.db2.gz FVBLYBOIXGVCDE-MNOVXSKESA-N 2 0 227.352 0.474 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000884241863 591879787 /nfs/dbraw/zinc/87/97/87/591879787.db2.gz DMFDHHFXDLKWJO-UWVGGRQHSA-N 2 0 225.336 0.086 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884243355 591880427 /nfs/dbraw/zinc/88/04/27/591880427.db2.gz DQBDZXFPBOFBOU-BDAKNGLRSA-N 2 0 213.325 0.086 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000884267377 591887820 /nfs/dbraw/zinc/88/78/20/591887820.db2.gz DTLAVHMVPGJWJK-GMTAPVOTSA-N 2 0 225.336 0.500 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000884272632 591889238 /nfs/dbraw/zinc/88/92/38/591889238.db2.gz ZPVIZVCUBVYEOD-TUAOUCFPSA-N 2 0 241.379 0.829 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H](C)[NH3+] ZINC000884274876 591889368 /nfs/dbraw/zinc/88/93/68/591889368.db2.gz WYGNWQGUJFYFPV-DTWKUNHWSA-N 2 0 215.341 0.459 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000884284217 591893581 /nfs/dbraw/zinc/89/35/81/591893581.db2.gz GKYFRXQEMSWCBG-JTQLQIEISA-N 2 0 215.341 0.298 20 0 BCADRP COCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000884287022 591894986 /nfs/dbraw/zinc/89/49/86/591894986.db2.gz QVXZRIPMQOXKGT-QWRGUYRKSA-N 2 0 243.351 0.080 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000884292081 591895816 /nfs/dbraw/zinc/89/58/16/591895816.db2.gz PXZKDNQEJDCION-WDEREUQCSA-N 2 0 237.347 0.372 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000884292079 591895889 /nfs/dbraw/zinc/89/58/89/591895889.db2.gz PXZKDNQEJDCION-MNOVXSKESA-N 2 0 237.347 0.372 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884296972 591897232 /nfs/dbraw/zinc/89/72/32/591897232.db2.gz IVKDXXDDPFWRLQ-IUCAKERBSA-N 2 0 213.325 0.086 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000884297872 591897894 /nfs/dbraw/zinc/89/78/94/591897894.db2.gz YSZRCQHKOLCHJE-AEJSXWLSSA-N 2 0 215.341 0.472 20 0 BCADRP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH3+])cn1 ZINC000884297891 591898599 /nfs/dbraw/zinc/89/85/99/591898599.db2.gz ZBFFJGLLDKZPHG-NXEZZACHSA-N 2 0 238.335 0.779 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884304432 591899012 /nfs/dbraw/zinc/89/90/12/591899012.db2.gz OPXWJKWQEUOTDE-UWVGGRQHSA-N 2 0 225.336 0.371 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884304433 591899187 /nfs/dbraw/zinc/89/91/87/591899187.db2.gz OPXWJKWQEUOTDE-VHSXEESVSA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884302401 591899267 /nfs/dbraw/zinc/89/92/67/591899267.db2.gz PYLHCTYIHUNFGE-OUAUKWLOSA-N 2 0 225.336 0.357 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884338769 591905861 /nfs/dbraw/zinc/90/58/61/591905861.db2.gz RGXXSZLKJLMJDG-UWVGGRQHSA-N 2 0 241.379 0.722 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC2CC2)C[C@@H]1C[NH3+] ZINC000884341332 591906609 /nfs/dbraw/zinc/90/66/09/591906609.db2.gz WSAFQPHEDXRSFV-ADEWGFFLSA-N 2 0 239.363 0.557 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884339753 591907007 /nfs/dbraw/zinc/90/70/07/591907007.db2.gz WILWTONDRLCDNH-UJNFCWOMSA-N 2 0 211.309 0.062 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)C1CC[NH2+]CC1 ZINC000884347880 591908583 /nfs/dbraw/zinc/90/85/83/591908583.db2.gz IUXPDNICQYKMTJ-UWVGGRQHSA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884347979 591908999 /nfs/dbraw/zinc/90/89/99/591908999.db2.gz LIWAGXUVBRPTNV-UWVGGRQHSA-N 2 0 227.352 0.617 20 0 BCADRP CC1(C)[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)C[C@@H]1[NH3+] ZINC000884348086 591909622 /nfs/dbraw/zinc/90/96/22/591909622.db2.gz NSOGEQMIICIYBJ-LPEHRKFASA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884348292 591909654 /nfs/dbraw/zinc/90/96/54/591909654.db2.gz TZHFHYYCHKUXES-XHNCKOQMSA-N 2 0 227.352 0.602 20 0 BCADRP CC1(C)[C@H](NC(=O)[C@@]2(C)CC[NH2+]C2)C[C@@H]1[NH3+] ZINC000884348102 591909841 /nfs/dbraw/zinc/90/98/41/591909841.db2.gz NZIBPZJCCCQLFK-SBMIAAHKSA-N 2 0 225.336 0.228 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884348409 591909853 /nfs/dbraw/zinc/90/98/53/591909853.db2.gz YJEXOFHKGFWFQM-LNLATYFQSA-N 2 0 227.352 0.746 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000884348429 591909858 /nfs/dbraw/zinc/90/98/58/591909858.db2.gz YVNAEKPFAWXSRY-BBBLOLIVSA-N 2 0 225.336 0.371 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000884347995 591909870 /nfs/dbraw/zinc/90/98/70/591909870.db2.gz LUWXVBUFYITKQF-BBBLOLIVSA-N 2 0 225.336 0.228 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000884348453 591909916 /nfs/dbraw/zinc/90/99/16/591909916.db2.gz ZNZUSCKVAQFCJE-WOPDTQHZSA-N 2 0 247.342 0.928 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884348408 591910107 /nfs/dbraw/zinc/91/01/07/591910107.db2.gz YJEXOFHKGFWFQM-AUTRQRHGSA-N 2 0 227.352 0.746 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884358336 591911853 /nfs/dbraw/zinc/91/18/53/591911853.db2.gz OZDOGFVPWOYYEJ-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)CCC[NH2+]1 ZINC000884358424 591912144 /nfs/dbraw/zinc/91/21/44/591912144.db2.gz QIGJTNZGVYGFAF-OUJBWJOFSA-N 2 0 239.363 0.761 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1coc(C[NH3+])c1 ZINC000884357964 591912450 /nfs/dbraw/zinc/91/24/50/591912450.db2.gz JHEJWWHDGLLAQL-UWVGGRQHSA-N 2 0 237.303 0.594 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884357612 591912533 /nfs/dbraw/zinc/91/25/33/591912533.db2.gz BCGVJELAMFPLLY-XKNYDFJKSA-N 2 0 227.352 0.602 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000884358542 591912800 /nfs/dbraw/zinc/91/28/00/591912800.db2.gz RWUZRWFVHJNKBL-HBNTYKKESA-N 2 0 239.363 0.761 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1coc(C[NH3+])c1 ZINC000884357966 591912808 /nfs/dbraw/zinc/91/28/08/591912808.db2.gz JHEJWWHDGLLAQL-ZJUUUORDSA-N 2 0 237.303 0.594 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000884358503 591912882 /nfs/dbraw/zinc/91/28/82/591912882.db2.gz RFBNSXUTCQFYSW-OPRDCNLKSA-N 2 0 225.336 0.356 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)CCC[NH2+]1 ZINC000884358423 591913142 /nfs/dbraw/zinc/91/31/42/591913142.db2.gz QIGJTNZGVYGFAF-OPQQBVKSSA-N 2 0 239.363 0.761 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884359995 591914028 /nfs/dbraw/zinc/91/40/28/591914028.db2.gz SAQSACKCLRDYRL-UKKRHICBSA-N 2 0 239.363 0.617 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000884361314 591914707 /nfs/dbraw/zinc/91/47/07/591914707.db2.gz QDYLQWIBHSMPKE-BDAKNGLRSA-N 2 0 225.336 0.357 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884362972 591915702 /nfs/dbraw/zinc/91/57/02/591915702.db2.gz VBXHCBHCSQMWCI-DTWKUNHWSA-N 2 0 213.325 0.226 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884362973 591915929 /nfs/dbraw/zinc/91/59/29/591915929.db2.gz VBXHCBHCSQMWCI-IUCAKERBSA-N 2 0 213.325 0.226 20 0 BCADRP CC1(C)[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1[NH3+] ZINC000884364350 591916365 /nfs/dbraw/zinc/91/63/65/591916365.db2.gz QKMHJFHHMNDZMW-XWLWVQCSSA-N 2 0 239.363 0.746 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000884363703 591916795 /nfs/dbraw/zinc/91/67/95/591916795.db2.gz HENXZPOEWZIRPR-AEJSXWLSSA-N 2 0 223.320 0.276 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884365643 591917106 /nfs/dbraw/zinc/91/71/06/591917106.db2.gz MEZJHRBVXZBFPN-QEYWKRMJSA-N 2 0 239.363 0.602 20 0 BCADRP CC1(C)[C@H](NC(=O)CC[NH2+]CC2CC2)C[C@@H]1[NH3+] ZINC000884366114 591917216 /nfs/dbraw/zinc/91/72/16/591917216.db2.gz UMFPVKSBXUCHQB-WDEREUQCSA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884365374 591917627 /nfs/dbraw/zinc/91/76/27/591917627.db2.gz IGYHZYKUEQTOBC-OPRDCNLKSA-N 2 0 225.336 0.356 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884372577 591918554 /nfs/dbraw/zinc/91/85/54/591918554.db2.gz PLRRPZHNTOPXSM-QXFUBDJGSA-N 2 0 213.325 0.356 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)NCCC[NH2+]C1CC1 ZINC000884375808 591919391 /nfs/dbraw/zinc/91/93/91/591919391.db2.gz MMOZBIGAJDSYHQ-NSHDSACASA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884375741 591920011 /nfs/dbraw/zinc/92/00/11/591920011.db2.gz KGFMMVNVCBUPLV-NSHDSACASA-N 2 0 227.352 0.749 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000884422248 591929735 /nfs/dbraw/zinc/92/97/35/591929735.db2.gz QSMAOONPQWDFIX-JQWIXIFHSA-N 2 0 227.352 0.489 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H](CC(C)C)[NH2+]C ZINC000884431916 591932789 /nfs/dbraw/zinc/93/27/89/591932789.db2.gz MDVGONPUCJNIQK-JTQLQIEISA-N 2 0 215.341 0.428 20 0 BCADRP CCN(CC[NH3+])C(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884431747 591932813 /nfs/dbraw/zinc/93/28/13/591932813.db2.gz FRLXEGVVGUOOTF-SNVBAGLBSA-N 2 0 229.368 0.803 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N(C)C[C@H](C)[NH3+] ZINC000884444458 591936642 /nfs/dbraw/zinc/93/66/42/591936642.db2.gz KVOIEZJBPATDQO-UWVGGRQHSA-N 2 0 215.341 0.426 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884449949 591938732 /nfs/dbraw/zinc/93/87/32/591938732.db2.gz SNGWQEYVYABOGB-VXGBXAGGSA-N 2 0 239.363 0.844 20 0 BCADRP O[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1O ZINC000886247146 592185103 /nfs/dbraw/zinc/18/51/03/592185103.db2.gz IUBCOYMQQVPYAD-PJSNJIKXSA-N 2 0 240.347 0.087 20 0 BCADRP [NH3+]CC12CC(C1)C[N@@H+]2C[C@H]1C[C@]12CCOC2 ZINC000886841537 592362796 /nfs/dbraw/zinc/36/27/96/592362796.db2.gz OBWFBKCDSINXHG-QBHFIFKDSA-N 2 0 222.332 0.836 20 0 BCADRP c1nnn2c1C[N@H+](CC[C@H]1CCC[NH2+]C1)CCC2 ZINC000886857880 592369143 /nfs/dbraw/zinc/36/91/43/592369143.db2.gz DPWSLIUQHHMKIA-GFCCVEGCSA-N 2 0 249.362 0.874 20 0 BCADRP c1ncn(CC[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000886872337 592376272 /nfs/dbraw/zinc/37/62/72/592376272.db2.gz PVPCBUGVSISTTE-ZDUSSCGKSA-N 2 0 249.362 0.744 20 0 BCADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCO ZINC000887131081 592449584 /nfs/dbraw/zinc/44/95/84/592449584.db2.gz QQEJNOZRRQJHBX-LBPRGKRZSA-N 2 0 235.331 0.975 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=[NH2+])NCC(F)F ZINC000887345815 592484121 /nfs/dbraw/zinc/48/41/21/592484121.db2.gz DYPYMJAEPBRQRY-UHFFFAOYSA-N 2 0 222.283 0.706 20 0 BCADRP [NH2+]=C(NCC[NH+]1CCCCC1)NCC(F)F ZINC000887347214 592484551 /nfs/dbraw/zinc/48/45/51/592484551.db2.gz LVJXSXLTQNPKBG-UHFFFAOYSA-N 2 0 234.294 0.851 20 0 BCADRP CC(C)[N@H+](C)CCNC(=[NH2+])NCC(F)F ZINC000887352968 592485422 /nfs/dbraw/zinc/48/54/22/592485422.db2.gz WMEQRHOUXAQMGF-UHFFFAOYSA-N 2 0 222.283 0.706 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NCC(F)F)C1 ZINC000887349727 592485466 /nfs/dbraw/zinc/48/54/66/592485466.db2.gz GSKZIYCNYWEJMJ-MRVPVSSYSA-N 2 0 234.294 0.707 20 0 BCADRP C[NH+]1CCC(CNC(=[NH2+])NCC2CC2)CC1 ZINC000887352735 592485500 /nfs/dbraw/zinc/48/55/00/592485500.db2.gz LZSWESUVHNEVTI-UHFFFAOYSA-N 2 0 224.352 0.852 20 0 BCADRP [NH2+]=C(NCC1CC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000887349817 592485810 /nfs/dbraw/zinc/48/58/10/592485810.db2.gz KIMLIYDXXQNESY-NSHDSACASA-N 2 0 236.363 0.995 20 0 BCADRP [NH2+]=C(NCCN1CC=CCC1)NCC(F)F ZINC000887358079 592489629 /nfs/dbraw/zinc/48/96/29/592489629.db2.gz QNOIGQVNKLATTK-UHFFFAOYSA-N 2 0 232.278 0.627 20 0 BCADRP C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000300423877 592512714 /nfs/dbraw/zinc/51/27/14/592512714.db2.gz XEMWWDNGBPQNLP-RWMBFGLXSA-N 2 0 242.363 0.600 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000302716086 592553376 /nfs/dbraw/zinc/55/33/76/592553376.db2.gz ZIHBCIXEAHSLAX-NEPJUHHUSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000857107465 634377223 /nfs/dbraw/zinc/37/72/23/634377223.db2.gz WAXLDMVUZZASTI-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000925702352 634378328 /nfs/dbraw/zinc/37/83/28/634378328.db2.gz OCGBBFHRINNCLM-MMWGEVLESA-N 2 0 239.363 0.746 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CNCCO1 ZINC000925702981 634379229 /nfs/dbraw/zinc/37/92/29/634379229.db2.gz CBIBLYBGMHQXNV-IJLVLRJLSA-N 2 0 239.363 0.080 20 0 BCADRP C(CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C[NH2+]C1CC1 ZINC000925703820 634380747 /nfs/dbraw/zinc/38/07/47/634380747.db2.gz FAWJBYSRTKUECC-KYYPQDQFSA-N 2 0 235.375 0.715 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000925704971 634383736 /nfs/dbraw/zinc/38/37/36/634383736.db2.gz HBJDDDMTLRCGIP-VPOLOUISSA-N 2 0 215.316 0.417 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925705137 634385625 /nfs/dbraw/zinc/38/56/25/634385625.db2.gz HXYQTJKSBFDRNE-KXNHARMFSA-N 3 0 223.364 0.973 20 0 BCADRP C(C[NH2+][C@H]1CNCCOC1)C[C@@H]1CCC[NH2+]1 ZINC000925705163 634386938 /nfs/dbraw/zinc/38/69/38/634386938.db2.gz IBNNACODVYJZOG-RYUDHWBXSA-N 2 0 227.352 0.097 20 0 BCADRP [NH3+]C[C@@H](N[C@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000925705879 634387823 /nfs/dbraw/zinc/38/78/23/634387823.db2.gz IWOTYIYSBDRDCH-NWDGAFQWSA-N 2 0 227.352 0.082 20 0 BCADRP C[C@@H]1NCCC[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000925705906 634388989 /nfs/dbraw/zinc/38/89/89/634388989.db2.gz IYOVYNWXPFQPBN-TUAOUCFPSA-N 2 0 223.364 0.859 20 0 BCADRP C1CC2(C1)C[C@H](N[C@H]1C[NH2+]CCOC1)CC[NH2+]2 ZINC000925708011 634397428 /nfs/dbraw/zinc/39/74/28/634397428.db2.gz QRVVMILHVQKHHU-NEPJUHHUSA-N 2 0 239.363 0.239 20 0 BCADRP CC[C@@H](O)C[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925711669 634412619 /nfs/dbraw/zinc/41/26/19/634412619.db2.gz UYHIOPNRVRIYSJ-ROHXPCBUSA-N 2 0 228.336 0.099 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1N[C@@H]1CC12CC[NH2+]CC2 ZINC000925712442 634415666 /nfs/dbraw/zinc/41/56/66/634415666.db2.gz UWXSDFYYKBRDNS-GHMZBOCLSA-N 2 0 223.364 0.859 20 0 BCADRP CC[C@H]([NH3+])CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925713935 634415932 /nfs/dbraw/zinc/41/59/32/634415932.db2.gz ZIYFTJWURYNWMB-WDEREUQCSA-N 2 0 211.353 0.988 20 0 BCADRP CO[C@@H](C)C[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925713259 634417673 /nfs/dbraw/zinc/41/76/73/634417673.db2.gz SYSFKJDHMZHBSL-SVNGYHJRSA-N 2 0 228.336 0.363 20 0 BCADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CC[NH2+]C1)[NH2+]2 ZINC000925716991 634450092 /nfs/dbraw/zinc/45/00/92/634450092.db2.gz CRECLKWBLYWMIJ-HGCLJGPKSA-N 2 0 209.337 0.467 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335642038 634504814 /nfs/dbraw/zinc/50/48/14/634504814.db2.gz XZJQBSGBCPBACG-GXSJLCMTSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@H]([NH3+])Cc1nc(CC2CC[NH2+]CC2)no1 ZINC000257871345 634515552 /nfs/dbraw/zinc/51/55/52/634515552.db2.gz AFLGQWNCTLFDHY-QMMMGPOBSA-N 2 0 224.308 0.501 20 0 BCADRP CCC1([NH3+])CC[NH+]([C@H](CCC[NH3+])COC)CC1 ZINC000925761054 635159666 /nfs/dbraw/zinc/15/96/66/635159666.db2.gz TYMLUEPXMREZOX-GFCCVEGCSA-N 2 0 243.395 0.944 20 0 BCADRP [NH3+]C1CC(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925727638 634526290 /nfs/dbraw/zinc/52/62/90/634526290.db2.gz AUGGSVRQKIQHNQ-LXKPXOPUSA-N 3 0 209.337 0.583 20 0 BCADRP C[C@H](CNC(=O)[C@]1(C)CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000227433043 634541621 /nfs/dbraw/zinc/54/16/21/634541621.db2.gz DAQADASJTLAFNZ-MFKMUULPSA-N 2 0 239.363 0.727 20 0 BCADRP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000125556026 634547076 /nfs/dbraw/zinc/54/70/76/634547076.db2.gz DGTUQKOEUJWAOW-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000125562974 634553507 /nfs/dbraw/zinc/55/35/07/634553507.db2.gz SIAQTAXSOSOAFQ-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC[NH2+]CC1 ZINC000925730586 634560571 /nfs/dbraw/zinc/56/05/71/634560571.db2.gz XEKSWFFTIJHCKF-VUJLMQJESA-N 3 0 249.402 0.961 20 0 BCADRP CC(C)([NH3+])CCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925736602 634588633 /nfs/dbraw/zinc/58/86/33/634588633.db2.gz HXIFDBFHQMPPSL-KKJSVHSVSA-N 2 0 223.364 0.700 20 0 BCADRP COC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC000219297559 635275338 /nfs/dbraw/zinc/27/53/38/635275338.db2.gz GVPGTVUYJRBCTL-PSEXLTFBSA-N 2 0 242.363 0.863 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000036192171 635493918 /nfs/dbraw/zinc/49/39/18/635493918.db2.gz QSMZFQJLZAGAJR-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[N@@H+](C)C1)C2 ZINC000250602144 635487656 /nfs/dbraw/zinc/48/76/56/635487656.db2.gz KKHOQZHEOIZMCS-ODWCKFRGSA-N 2 0 223.364 0.905 20 0 BCADRP CCO[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)C[NH+](C)C ZINC000925838760 635502559 /nfs/dbraw/zinc/50/25/59/635502559.db2.gz NVASNCJEOFBEJE-JHJVBQTASA-N 2 0 243.395 0.541 20 0 BCADRP CCC[C@@H](O)CC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000925857587 635549095 /nfs/dbraw/zinc/54/90/95/635549095.db2.gz MOEIVUVNLVJHGF-MWLCHTKSSA-N 2 0 200.326 0.735 20 0 BCADRP C[C@@H]1C[C@H](C(=O)NC2CCC([NH3+])CC2)CC[NH2+]1 ZINC000235355024 635571359 /nfs/dbraw/zinc/57/13/59/635571359.db2.gz YQVJZZKIVPJDGJ-QYNFOATHSA-N 2 0 239.363 0.761 20 0 BCADRP Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000925892850 635618627 /nfs/dbraw/zinc/61/86/27/635618627.db2.gz GMJBEVNFVFIIDS-HBNTYKKESA-N 2 0 249.362 0.532 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CCO[C@H]1CCOC1 ZINC000925874040 635592432 /nfs/dbraw/zinc/59/24/32/635592432.db2.gz GVPVKUVFXINYNA-NEPJUHHUSA-N 2 0 246.351 0.135 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]CCO[C@@H]1CCOC1 ZINC000925875160 635596958 /nfs/dbraw/zinc/59/69/58/635596958.db2.gz POYUFUZUFKOGET-NWDGAFQWSA-N 2 0 230.352 0.899 20 0 BCADRP C(COC1CCOCC1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000925878746 635605872 /nfs/dbraw/zinc/60/58/72/635605872.db2.gz ZAOCLLWNCHJJKP-LBPRGKRZSA-N 2 0 242.363 0.914 20 0 BCADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000925881224 635607959 /nfs/dbraw/zinc/60/79/59/635607959.db2.gz ZVVKSAXOVDCTOX-QCNOEVLYSA-N 3 0 211.353 0.701 20 0 BCADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000925881225 635609293 /nfs/dbraw/zinc/60/92/93/635609293.db2.gz ZVVKSAXOVDCTOX-USZNOCQGSA-N 3 0 211.353 0.701 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCCC(C)(C)[NH3+] ZINC000891439367 631272195 /nfs/dbraw/zinc/27/21/95/631272195.db2.gz KHPVNPDUXNELIF-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](C(N)=O)C2)CC1 ZINC000891439881 631282245 /nfs/dbraw/zinc/28/22/45/631282245.db2.gz GKSMALQPWAHSHA-NSHDSACASA-N 2 0 225.336 0.135 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CC)C1)[NH+](C)C ZINC000971777817 631453398 /nfs/dbraw/zinc/45/33/98/631453398.db2.gz HTKLNAIDIIXUAZ-NWDGAFQWSA-N 2 0 241.379 0.879 20 0 BCADRP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001022293535 631463304 /nfs/dbraw/zinc/46/33/04/631463304.db2.gz UJNMXMARYCDPEM-GRYCIOLGSA-N 2 0 239.363 0.727 20 0 BCADRP CC[N@@H+](CCC(=O)NC)CC[C@H]1CCC[NH+]1C ZINC000933863720 631535668 /nfs/dbraw/zinc/53/56/68/631535668.db2.gz HCTDVQTVAIXSJO-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CC[N@@H+](CCC(=O)NC)CC[C@@H]1CCC[NH+]1C ZINC000933863722 631537264 /nfs/dbraw/zinc/53/72/64/631537264.db2.gz HCTDVQTVAIXSJO-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1CCN1CC[C@H]1CO ZINC000934028229 631626741 /nfs/dbraw/zinc/62/67/41/631626741.db2.gz YDWUSWKFKHCDDJ-NEPJUHHUSA-N 2 0 212.337 0.927 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000891999467 631697540 /nfs/dbraw/zinc/69/75/40/631697540.db2.gz KIUUKDNLSLDPBL-SECBINFHSA-N 2 0 228.340 0.165 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892102404 631730828 /nfs/dbraw/zinc/73/08/28/631730828.db2.gz IGRPITIGHICGFH-GUBZILKMSA-N 2 0 228.340 0.150 20 0 BCADRP CCNC(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000308946639 631743185 /nfs/dbraw/zinc/74/31/85/631743185.db2.gz WILFBYWXKUJTSZ-UHFFFAOYSA-N 2 0 215.341 0.573 20 0 BCADRP Cl/C=C\C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000308970703 631773858 /nfs/dbraw/zinc/77/38/58/631773858.db2.gz PEMGGVPPVYQXMI-DGWOPVBCSA-N 2 0 229.755 0.718 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892199107 631778387 /nfs/dbraw/zinc/77/83/87/631778387.db2.gz JQGNCACLOCFGQM-ZRUFSTJUSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892199104 631778740 /nfs/dbraw/zinc/77/87/40/631778740.db2.gz JQGNCACLOCFGQM-DBIOUOCHSA-N 2 0 240.351 0.258 20 0 BCADRP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)CC(C)(C)O ZINC000309056113 631833714 /nfs/dbraw/zinc/83/37/14/631833714.db2.gz FHZDWNAEENGALZ-LLVKDONJSA-N 2 0 230.352 0.146 20 0 BCADRP COC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CC[C@H](C)C1 ZINC000849004789 631904167 /nfs/dbraw/zinc/90/41/67/631904167.db2.gz ZUGSSHGJPPXZJF-QWRGUYRKSA-N 2 0 242.367 0.477 20 0 BCADRP C[NH+](C)CCOCC[NH2+]Cc1cn[nH]c1 ZINC000308864758 631989751 /nfs/dbraw/zinc/98/97/51/631989751.db2.gz AAFWLZZVPFVRME-UHFFFAOYSA-N 2 0 212.297 0.078 20 0 BCADRP c1cncc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000077403798 632009780 /nfs/dbraw/zinc/00/97/80/632009780.db2.gz KFXFLVRLHLCZMN-AWEZNQCLSA-N 2 0 246.358 0.561 20 0 BCADRP CN(C(=O)CCC[NH3+])C1CCC([NH3+])CC1 ZINC000309368853 632022712 /nfs/dbraw/zinc/02/27/12/632022712.db2.gz BQMALNSCICDYEK-UHFFFAOYSA-N 2 0 213.325 0.454 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000309362972 632023552 /nfs/dbraw/zinc/02/35/52/632023552.db2.gz ASYRDHHGWDZNHL-AEJSXWLSSA-N 2 0 213.325 0.357 20 0 BCADRP C[NH+](C)CCCNC(=S)NCCC[NH+](C)C ZINC000033753952 632042306 /nfs/dbraw/zinc/04/23/06/632042306.db2.gz YLMXNQPOOVZIHK-UHFFFAOYSA-N 2 0 246.424 0.354 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)C1CCC([NH3+])CC1 ZINC000309405681 632048928 /nfs/dbraw/zinc/04/89/28/632048928.db2.gz HXZPKCRRFSAROQ-XNWIYYODSA-N 2 0 213.325 0.452 20 0 BCADRP COC[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250418874 635698471 /nfs/dbraw/zinc/69/84/71/635698471.db2.gz OZKVBWGDKLLANZ-AYLPWXGPSA-N 2 0 228.336 0.209 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250859992 635701369 /nfs/dbraw/zinc/70/13/69/635701369.db2.gz QBDMWNANMWVTSJ-TUAOUCFPSA-N 2 0 239.363 0.762 20 0 BCADRP CC[NH+]1CCC(CCNC(=O)C[NH2+]C)CC1 ZINC000237065990 635733202 /nfs/dbraw/zinc/73/32/02/635733202.db2.gz AXEZRDYECQWTNI-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP CC(C)C[C@H]1C[N@H+](C)CCN1CCC[NH3+] ZINC000108362565 635816623 /nfs/dbraw/zinc/81/66/23/635816623.db2.gz SSNSCKPAGRAVJM-LBPRGKRZSA-N 2 0 213.369 0.997 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130139741 632439420 /nfs/dbraw/zinc/43/94/20/632439420.db2.gz MNCNNPRXMOZKPN-GRYCIOLGSA-N 2 0 241.379 0.959 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1ccnc(Cl)c1 ZINC000309536482 632478921 /nfs/dbraw/zinc/47/89/21/632478921.db2.gz FJZJDCJQSKCEIW-UHFFFAOYSA-N 2 0 214.700 0.111 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]([NH3+])CCOC ZINC000052810345 632498473 /nfs/dbraw/zinc/49/84/73/632498473.db2.gz SPIMLRHMGHQIPD-WDEREUQCSA-N 2 0 245.367 0.197 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC[NH2+]1 ZINC000648180953 632546443 /nfs/dbraw/zinc/54/64/43/632546443.db2.gz VDIHIPOXJLRWDN-GHMZBOCLSA-N 2 0 237.347 0.529 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCC[NH+](C)C)C1 ZINC000167370479 632589241 /nfs/dbraw/zinc/58/92/41/632589241.db2.gz PVTWMEKSNIGBAU-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H]([NH3+])CNC(=O)CCCCCC[NH3+] ZINC000309019895 632616696 /nfs/dbraw/zinc/61/66/96/632616696.db2.gz WKGAUVDCAQRXHV-VIFPVBQESA-N 2 0 201.314 0.359 20 0 BCADRP COCCN(C)CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089146222 632656960 /nfs/dbraw/zinc/65/69/60/632656960.db2.gz SORSXPKQUKCVLV-CHWSQXEVSA-N 2 0 243.395 0.672 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000310263047 632712042 /nfs/dbraw/zinc/71/20/42/632712042.db2.gz MEMAUXZMXAANSD-JHJVBQTASA-N 2 0 241.379 0.255 20 0 BCADRP C[NH2+]C1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000310265037 632713706 /nfs/dbraw/zinc/71/37/06/632713706.db2.gz MJCJCGCLFBXGFA-ZDUSSCGKSA-N 2 0 241.379 0.127 20 0 BCADRP C[NH+](C)CCCNC(=[NH2+])NC(C)(C)C ZINC000052041373 632780295 /nfs/dbraw/zinc/78/02/95/632780295.db2.gz XXIUQYMKEWSYKR-UHFFFAOYSA-N 2 0 200.330 0.851 20 0 BCADRP CC(C)NC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 ZINC000052043911 632782120 /nfs/dbraw/zinc/78/21/20/632782120.db2.gz QPPAVYGFQQICCC-SNVBAGLBSA-N 2 0 212.341 0.851 20 0 BCADRP CC(C)NC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000052043894 632782239 /nfs/dbraw/zinc/78/22/39/632782239.db2.gz TYKDXHXUSXJAFS-UHFFFAOYSA-N 2 0 212.341 0.995 20 0 BCADRP COCCNC(=[NH2+])NC[C@@H](C)[NH+]1CCCC1 ZINC000066245311 632861956 /nfs/dbraw/zinc/86/19/56/632861956.db2.gz RJLGCQMYIITDHA-SNVBAGLBSA-N 2 0 228.340 0.021 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(O)CCC1 ZINC000925022469 635855568 /nfs/dbraw/zinc/85/55/68/635855568.db2.gz IIDWJRPPYLVAKF-FOSCPWQOSA-N 2 0 224.348 0.831 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CCSC[C@H]2CO)CC1 ZINC000309317968 632928728 /nfs/dbraw/zinc/92/87/28/632928728.db2.gz OJECFUZGHNWKOV-GFCCVEGCSA-N 2 0 244.404 0.738 20 0 BCADRP C[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C[NH2+]1 ZINC000892549486 632958241 /nfs/dbraw/zinc/95/82/41/632958241.db2.gz UFIQUWKVKVZHSI-DBIOUOCHSA-N 2 0 240.351 0.116 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000092135034 632963118 /nfs/dbraw/zinc/96/31/18/632963118.db2.gz LYRBSFKEDCZKFI-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892565996 632976863 /nfs/dbraw/zinc/97/68/63/632976863.db2.gz HUYXMMFONHYFDH-MGCOHNPYSA-N 2 0 242.367 0.350 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCOC3=O)C[C@@H]21 ZINC000164395302 633077764 /nfs/dbraw/zinc/07/77/64/633077764.db2.gz BYXUVDIVVTWQJG-LMLFDSFASA-N 2 0 224.304 0.361 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167529326 633131665 /nfs/dbraw/zinc/13/16/65/633131665.db2.gz LSOVBMQQVFRIGH-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000309763994 633243361 /nfs/dbraw/zinc/24/33/61/633243361.db2.gz JFURTZRCAOZBEK-MNOVXSKESA-N 3 0 211.353 0.798 20 0 BCADRP C[C@@H]1[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000928440025 635937343 /nfs/dbraw/zinc/93/73/43/635937343.db2.gz ZAHAJDMUYVZXPK-GMTAPVOTSA-N 2 0 225.336 0.147 20 0 BCADRP OC1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000107981892 636031266 /nfs/dbraw/zinc/03/12/66/636031266.db2.gz AKDWRBUWHBDASS-LLVKDONJSA-N 2 0 212.337 0.833 20 0 BCADRP CN(C(=O)CC1([NH3+])CCC1)C1CCC([NH3+])CC1 ZINC000237197304 636050029 /nfs/dbraw/zinc/05/00/29/636050029.db2.gz GNCTVESUOKOQNA-UHFFFAOYSA-N 2 0 239.363 0.986 20 0 BCADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928560189 636104319 /nfs/dbraw/zinc/10/43/19/636104319.db2.gz PVUIEULDHVUEQE-WDEREUQCSA-N 2 0 241.379 0.973 20 0 BCADRP CO[C@H](C[NH2+]CC[C@@H](C)[NH+](C)C)[C@@H]1CCOC1 ZINC000895291280 636132122 /nfs/dbraw/zinc/13/21/22/636132122.db2.gz AZIJNHLHHDRBFN-JHJVBQTASA-N 2 0 244.379 0.968 20 0 BCADRP COC[C@H](C)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328462785 633768105 /nfs/dbraw/zinc/76/81/05/633768105.db2.gz VNSHSFWGHRZBPA-HDLKOFKZSA-N 2 0 224.348 0.855 20 0 BCADRP CC[C@](C)(O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328491026 633773164 /nfs/dbraw/zinc/77/31/64/633773164.db2.gz NWXVKBPGDUWVTD-NFXCPBFJSA-N 2 0 224.348 0.733 20 0 BCADRP C[N@@H+]1CCC[C@H](CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000328566308 633774973 /nfs/dbraw/zinc/77/49/73/633774973.db2.gz MPAZSTLPBCUMJX-DBWOOVFOSA-N 2 0 249.402 0.914 20 0 BCADRP COCC[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328560813 633776351 /nfs/dbraw/zinc/77/63/51/633776351.db2.gz FYKYHTFLUNIHEG-ASHHDVGLSA-N 2 0 224.348 0.997 20 0 BCADRP C[C@H](CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[NH+](C)C ZINC000328559630 633776446 /nfs/dbraw/zinc/77/64/46/633776446.db2.gz DWNWWJPJGHSCJJ-JIMTYQMOSA-N 2 0 223.364 0.523 20 0 BCADRP CC(C)(O)CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328574991 633778162 /nfs/dbraw/zinc/77/81/62/633778162.db2.gz XOBLCAMNPFNOJO-NGDQXYMTSA-N 2 0 224.348 0.733 20 0 BCADRP C[C@H](O)CCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328572557 633779301 /nfs/dbraw/zinc/77/93/01/633779301.db2.gz URTMCGDJIILTKJ-RJRAAQABSA-N 2 0 224.348 0.733 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C[NH2+]CC ZINC000309823206 633783973 /nfs/dbraw/zinc/78/39/73/633783973.db2.gz GSXFVTXETDGYKD-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP CC(C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001020029042 633806921 /nfs/dbraw/zinc/80/69/21/633806921.db2.gz RXRQHRWFTQUMRT-IJLUTSLNSA-N 2 0 239.363 0.726 20 0 BCADRP C[NH+](C)CCCN[C@H]1CC[NH2+]C12CCC2 ZINC000925505116 633835489 /nfs/dbraw/zinc/83/54/89/633835489.db2.gz TVFGEYHZFURSPP-NSHDSACASA-N 2 0 211.353 0.812 20 0 BCADRP CC(C)S(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000309500251 633938069 /nfs/dbraw/zinc/93/80/69/633938069.db2.gz ZYRKBONZFHYFKH-WDEREUQCSA-N 2 0 248.392 0.669 20 0 BCADRP COC[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309983013 634025552 /nfs/dbraw/zinc/02/55/52/634025552.db2.gz NLWVWGXHLGZBCF-STQMWFEESA-N 2 0 242.363 0.411 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000309854126 634031766 /nfs/dbraw/zinc/03/17/66/634031766.db2.gz JVLXHWZWFXBPOR-WOPDTQHZSA-N 2 0 228.336 0.210 20 0 BCADRP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CCCC[NH+](C)C ZINC000310091430 634069949 /nfs/dbraw/zinc/06/99/49/634069949.db2.gz JPMQZOSSOIGTRL-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP COC[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000053197118 634071016 /nfs/dbraw/zinc/07/10/16/634071016.db2.gz QJWKFQGABHMORE-JTQLQIEISA-N 2 0 200.326 0.953 20 0 BCADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C12CCC2 ZINC000925616601 634164628 /nfs/dbraw/zinc/16/46/28/634164628.db2.gz SEOHBNJGKAWOGH-USZNOCQGSA-N 2 0 222.332 0.783 20 0 BCADRP COC[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925661326 634227052 /nfs/dbraw/zinc/22/70/52/634227052.db2.gz DCZOGMDAEHXGDU-VWYCJHECSA-N 2 0 230.352 0.489 20 0 BCADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1C[NH2+]CCOC1 ZINC000925674848 634258563 /nfs/dbraw/zinc/25/85/63/634258563.db2.gz DELRBNNZSPFQBD-OLZOCXBDSA-N 2 0 243.395 0.685 20 0 BCADRP NC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925684667 634294752 /nfs/dbraw/zinc/29/47/52/634294752.db2.gz IRMIMJZFMLXORM-VWYCJHECSA-N 2 0 237.347 0.515 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CNC(=O)C2)C1 ZINC000925685566 634298986 /nfs/dbraw/zinc/29/89/86/634298986.db2.gz LDFYDGNFOPEUNH-HBNTYKKESA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+][C@@H]1C[C@@H](NC2CC[NH2+]CC2)C12CCC2 ZINC000925691855 634319189 /nfs/dbraw/zinc/31/91/89/634319189.db2.gz NFQQNBVVKWYRPA-GHMZBOCLSA-N 2 0 209.337 0.598 20 0 BCADRP [NH3+][C@H]1C[C@H](NC2CC[NH2+]CC2)C12CCC2 ZINC000925691861 634320643 /nfs/dbraw/zinc/32/06/43/634320643.db2.gz NFQQNBVVKWYRPA-QWRGUYRKSA-N 2 0 209.337 0.598 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000925693034 634324132 /nfs/dbraw/zinc/32/41/32/634324132.db2.gz NRBSDLUWHUJUEU-ILDUYXDCSA-N 3 0 211.353 0.986 20 0 BCADRP [NH3+][C@@H]1C[C@H](NC[C@H]2CCC[NH2+]2)C12CCC2 ZINC000925693092 634327036 /nfs/dbraw/zinc/32/70/36/634327036.db2.gz OIXJTJJMOSVNHA-MXWKQRLJSA-N 2 0 209.337 0.598 20 0 BCADRP C[NH2+]CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925694107 634331230 /nfs/dbraw/zinc/33/12/30/634331230.db2.gz QTKSDERSROVAAP-OUAUKWLOSA-N 2 0 211.353 0.572 20 0 BCADRP c1[nH+]cn2cc(CN[C@@H]3C[NH2+]CCOC3)ccc12 ZINC000925693808 634333205 /nfs/dbraw/zinc/33/32/05/634333205.db2.gz MRCJMOZIZUDOML-GFCCVEGCSA-N 2 0 246.314 0.412 20 0 BCADRP CC(C)[NH2+]CCCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925694177 634335651 /nfs/dbraw/zinc/33/56/51/634335651.db2.gz RAWKPASQLYFJDJ-MEBFFEOJSA-N 2 0 237.391 0.961 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1C[NH2+]C1 ZINC000925697000 634356629 /nfs/dbraw/zinc/35/66/29/634356629.db2.gz CTTWVBDXDVKRMJ-ZYANWLCNSA-N 3 0 209.337 0.311 20 0 BCADRP C[C@H]([NH3+])c1ccc(CN[C@@H]2C[NH2+]CCOC2)cc1 ZINC000925697337 634359586 /nfs/dbraw/zinc/35/95/86/634359586.db2.gz DRQKCPNDPYJNLA-SMDDNHRTSA-N 2 0 249.358 0.784 20 0 BCADRP [NH3+][C@@H](CN[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925697341 634360401 /nfs/dbraw/zinc/36/04/01/634360401.db2.gz DRYDEQCXRNXLPP-WDEREUQCSA-N 2 0 209.337 0.598 20 0 BCADRP [NH3+][C@H](CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC1 ZINC000925699392 634366109 /nfs/dbraw/zinc/36/61/09/634366109.db2.gz OJULJELJYSVBLE-MJYBNVITSA-N 2 0 221.348 0.310 20 0 BCADRP [NH3+][C@@H]1C[C@H](N[C@@H]2CCC[NH2+]CC2)C12CCC2 ZINC000925700044 634368289 /nfs/dbraw/zinc/36/82/89/634368289.db2.gz MXYWGICMAHLVLJ-UTUOFQBUSA-N 2 0 223.364 0.988 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925699639 634368386 /nfs/dbraw/zinc/36/83/86/634368386.db2.gz LMFMIPAQYHXFHD-VTAXGKEESA-N 2 0 235.375 0.570 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000857102794 634373735 /nfs/dbraw/zinc/37/37/35/634373735.db2.gz NKJKTMBQHJTQEU-DCAQKATOSA-N 2 0 242.367 0.506 20 0 BCADRP [NH3+]CC1(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925701949 634376388 /nfs/dbraw/zinc/37/63/88/634376388.db2.gz INDJKDICRJUOMX-OBPIAQAESA-N 3 0 235.375 0.701 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424031925 635153748 /nfs/dbraw/zinc/15/37/48/635153748.db2.gz UMLLOOKTGMSGHU-ZDUSSCGKSA-N 2 0 239.363 0.683 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424031213 635153820 /nfs/dbraw/zinc/15/38/20/635153820.db2.gz SIVYQNFKXKVZKM-WCQYABFASA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NCc1cc(N)cc[nH+]1 ZINC000925767905 635185129 /nfs/dbraw/zinc/18/51/29/635185129.db2.gz RHOBQHHTWYWKHS-BXKDBHETSA-N 2 0 220.320 0.894 20 0 BCADRP C[C@H](NCc1cc(N)cc[nH+]1)C1C[NH2+]C1 ZINC000925769160 635192818 /nfs/dbraw/zinc/19/28/18/635192818.db2.gz YRSDMRYEQDBGKM-QMMMGPOBSA-N 2 0 206.293 0.361 20 0 BCADRP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCOC1 ZINC000925782356 635278737 /nfs/dbraw/zinc/27/87/37/635278737.db2.gz JNOLGCZTRIICAX-WISYIIOYSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@@H](CCCCO)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925783795 635296427 /nfs/dbraw/zinc/29/64/27/635296427.db2.gz GZBOONKSIPOLCZ-WOPDTQHZSA-N 2 0 214.353 0.983 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CNCC[C@H]1C ZINC000925796986 635334481 /nfs/dbraw/zinc/33/44/81/635334481.db2.gz SQOCUMWWAYAILN-FDYHWXHSSA-N 2 0 225.380 0.820 20 0 BCADRP C[C@H]1OCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816137 635383482 /nfs/dbraw/zinc/38/34/82/635383482.db2.gz VQZMRHLPAPXVQQ-ZYHUDNBSSA-N 2 0 227.352 0.177 20 0 BCADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CNOC1 ZINC000925861088 635553555 /nfs/dbraw/zinc/55/35/55/635553555.db2.gz XRJRKLOZEDSJGC-TZMBILIQSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335641841 635885882 /nfs/dbraw/zinc/88/58/82/635885882.db2.gz WVJNFKAFDDXEAM-GXSJLCMTSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@H](CNC1=[NH+]C[C@@H](C)N1)[NH+]1CCCCC1 ZINC000304622378 635945190 /nfs/dbraw/zinc/94/51/90/635945190.db2.gz XSQPGINKNFNGEP-GHMZBOCLSA-N 2 0 224.352 0.798 20 0 BCADRP CC(C)[C@H]([NH3+])CCN[C@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000665282719 636103504 /nfs/dbraw/zinc/10/35/04/636103504.db2.gz AKWFMPXIGUEEQP-LOWDOPEQSA-N 2 0 243.395 0.702 20 0 BCADRP CC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000985123406 636253526 /nfs/dbraw/zinc/25/35/26/636253526.db2.gz OLHXNEZLSAOREB-HAQNSBGRSA-N 2 0 239.363 0.587 20 0 BCADRP C[N@H+](CCn1cccn1)C1CC[NH2+]CC1 ZINC000049326165 636258703 /nfs/dbraw/zinc/25/87/03/636258703.db2.gz NEOLGMLGVXUHNN-UHFFFAOYSA-N 2 0 208.309 0.567 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000870934582 636385185 /nfs/dbraw/zinc/38/51/85/636385185.db2.gz CAZSDDIUYZAMGD-GMTAPVOTSA-N 2 0 225.336 0.372 20 0 BCADRP C([C@H]1CCCOC1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000928997889 636699322 /nfs/dbraw/zinc/69/93/22/636699322.db2.gz PABASKDLQWTDLR-FRRDWIJNSA-N 2 0 224.348 0.954 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706451 636931418 /nfs/dbraw/zinc/93/14/18/636931418.db2.gz BSHYSZAXROSKDY-MXWKQRLJSA-N 2 0 239.319 0.262 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C[C@H]3CC[NH2+]C3)CC[C@H]21 ZINC000866702733 636932232 /nfs/dbraw/zinc/93/22/32/636932232.db2.gz AIOAKNGIXHYMDR-YNEHKIRRSA-N 2 0 223.364 0.622 20 0 BCADRP C[C@H](CC(=O)N(C)[C@@H](C)C[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000237502143 637012438 /nfs/dbraw/zinc/01/24/38/637012438.db2.gz BCJMSAAVLPYXNJ-GRYCIOLGSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@H]1CO[C@H](C)C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000042308389 637169675 /nfs/dbraw/zinc/16/96/75/637169675.db2.gz QYVQIHARHSVCMZ-OLZOCXBDSA-N 2 0 241.379 0.391 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000903461623 637362040 /nfs/dbraw/zinc/36/20/40/637362040.db2.gz WHFKYBWBHPLPQF-WISYIIOYSA-N 2 0 211.353 0.654 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000903463506 637363763 /nfs/dbraw/zinc/36/37/63/637363763.db2.gz CXCZNZKRZJIZBW-AGIUHOORSA-N 2 0 249.362 0.456 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000903463659 637363798 /nfs/dbraw/zinc/36/37/98/637363798.db2.gz IHRQFWXCDYLRRQ-XQHKEYJVSA-N 2 0 224.348 0.810 20 0 BCADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@H]1COCCO1 ZINC000903463471 637364139 /nfs/dbraw/zinc/36/41/39/637364139.db2.gz BYTUXLXFARXSPP-WOPDTQHZSA-N 2 0 228.336 0.461 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000903463408 637364396 /nfs/dbraw/zinc/36/43/96/637364396.db2.gz ADZBFNBAKXVHFJ-PWSUYJOCSA-N 2 0 249.358 0.712 20 0 BCADRP C[NH2+]C[C@@H]1CCCCN1C[C@@H]1CC[NH2+]C1 ZINC000903528539 637366510 /nfs/dbraw/zinc/36/65/10/637366510.db2.gz MYOGZJRZKVFWSQ-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP CC1(C)CN(C[C@@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC000903551764 637370894 /nfs/dbraw/zinc/37/08/94/637370894.db2.gz YBDVPUFTYJRCSF-MNOVXSKESA-N 2 0 211.353 0.655 20 0 BCADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCCOCC1 ZINC000903722928 637379842 /nfs/dbraw/zinc/37/98/42/637379842.db2.gz QQFFHVIADWKXFK-STQMWFEESA-N 2 0 240.347 0.477 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000903788586 637382217 /nfs/dbraw/zinc/38/22/17/637382217.db2.gz OHKJPCYZMRQVBR-QWRGUYRKSA-N 2 0 230.352 0.565 20 0 BCADRP CCn1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)nn1 ZINC000903788865 637383607 /nfs/dbraw/zinc/38/36/07/637383607.db2.gz RTFQRLXYJABESV-WDEREUQCSA-N 2 0 237.351 0.715 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000904461851 637407334 /nfs/dbraw/zinc/40/73/34/637407334.db2.gz OZGAHMACFAMWDC-GARJFASQSA-N 2 0 211.353 0.572 20 0 BCADRP NOCCC[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904457433 637419056 /nfs/dbraw/zinc/41/90/56/637419056.db2.gz OXZJAAFCHXJLIS-UHFFFAOYSA-N 2 0 209.293 0.515 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN[C@H]1C[NH2+]CC1(C)C ZINC000904461219 637421010 /nfs/dbraw/zinc/42/10/10/637421010.db2.gz HBGQCDVSVDNCGV-QWRGUYRKSA-N 2 0 213.369 0.805 20 0 BCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000904459613 637421106 /nfs/dbraw/zinc/42/11/06/637421106.db2.gz WKTCKAJSGACTQZ-SORUDPMGSA-N 2 0 243.354 0.953 20 0 BCADRP [NH3+]CC1(CN[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000904459513 637421300 /nfs/dbraw/zinc/42/13/00/637421300.db2.gz TXPCTYBINNZHCX-CHWSQXEVSA-N 2 0 231.343 0.940 20 0 BCADRP C[NH+](C)CCNC(=O)Nc1ccccc1C[NH3+] ZINC000904645384 637449601 /nfs/dbraw/zinc/44/96/01/637449601.db2.gz BLOZTFMYEPTZSL-UHFFFAOYSA-N 2 0 236.319 0.828 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000904927938 637530457 /nfs/dbraw/zinc/53/04/57/637530457.db2.gz IMXUGTLJIOSLCW-CABZTGNLSA-N 2 0 229.368 0.994 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC1(C)CC[NH2+]CC1 ZINC000904928261 637530912 /nfs/dbraw/zinc/53/09/12/637530912.db2.gz HJYZQNXLELWSLB-GFCCVEGCSA-N 2 0 227.352 0.762 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000904926642 637532029 /nfs/dbraw/zinc/53/20/29/637532029.db2.gz WQEZGRFFMGSUFP-RYUDHWBXSA-N 2 0 227.352 0.748 20 0 BCADRP C[NH+](C)CCn1cc([C@@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000905061400 637596557 /nfs/dbraw/zinc/59/65/57/637596557.db2.gz GJNGABPFAYVOCT-WDEREUQCSA-N 2 0 239.323 0.019 20 0 BCADRP C[NH+](C)CCn1cc([C@H]([NH3+])c2ccccc2)nn1 ZINC000905061699 637596768 /nfs/dbraw/zinc/59/67/68/637596768.db2.gz KTDNRCIEQOHCCP-CYBMUJFWSA-N 2 0 245.330 0.888 20 0 BCADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905109392 637615711 /nfs/dbraw/zinc/61/57/11/637615711.db2.gz CBWJURDAKXEMDT-RYUDHWBXSA-N 2 0 244.379 0.582 20 0 BCADRP C[NH2+]CCCCc1nc(C2([NH3+])CCC2)no1 ZINC000905304925 637762440 /nfs/dbraw/zinc/76/24/40/637762440.db2.gz OUSDXENZTFTOIY-UHFFFAOYSA-N 2 0 224.308 0.950 20 0 BCADRP [NH3+]C1CC(Cc2nc([C@@H]3CCC[NH2+]3)no2)C1 ZINC000905304232 637762981 /nfs/dbraw/zinc/76/29/81/637762981.db2.gz JHKMXFQAZQCWDF-HACHORDNSA-N 2 0 222.292 0.774 20 0 BCADRP C[NH2+][C@@H](C)Cc1noc([C@@H]2C[NH2+]CC2(C)C)n1 ZINC000905305920 637764448 /nfs/dbraw/zinc/76/44/48/637764448.db2.gz ZYCLTCDEQMEMLP-IUCAKERBSA-N 2 0 238.335 0.933 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000906091523 638050057 /nfs/dbraw/zinc/05/00/57/638050057.db2.gz IMEJNBYVFHPDPJ-HBNTYKKESA-N 2 0 227.352 0.556 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000906092268 638051262 /nfs/dbraw/zinc/05/12/62/638051262.db2.gz XPHQHITVLCMUMU-SDDRHHMPSA-N 2 0 241.379 0.803 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)c1cc(C[NH3+])ccn1 ZINC000906226524 638118380 /nfs/dbraw/zinc/11/83/80/638118380.db2.gz CNIFDISFLBFFDH-ONGXEEELSA-N 2 0 248.330 0.501 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)c1cc(C[NH3+])ccn1 ZINC000906226523 638118646 /nfs/dbraw/zinc/11/86/46/638118646.db2.gz CNIFDISFLBFFDH-MWLCHTKSSA-N 2 0 248.330 0.501 20 0 BCADRP COC(=O)c1cc(C[NH2+]C2CC([NH3+])C2)c[nH]1 ZINC000906509281 638181091 /nfs/dbraw/zinc/18/10/91/638181091.db2.gz FKYJPOTWCSVQLD-UHFFFAOYSA-N 2 0 223.276 0.381 20 0 BCADRP [NH3+]C1CC(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000906510410 638184030 /nfs/dbraw/zinc/18/40/30/638184030.db2.gz IBJBOIAAYDHPEH-RKJHCZSYSA-N 2 0 223.364 0.986 20 0 BCADRP [NH3+]C1CC(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000906510403 638184145 /nfs/dbraw/zinc/18/41/45/638184145.db2.gz IBJBOIAAYDHPEH-FQLQODGNSA-N 2 0 223.364 0.986 20 0 BCADRP [NH3+]C1CC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000906511496 638186320 /nfs/dbraw/zinc/18/63/20/638186320.db2.gz XVSPKPSUHZJDHM-HBUVQDDESA-N 3 0 209.337 0.454 20 0 BCADRP C[NH+](C)C1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000908011186 638547546 /nfs/dbraw/zinc/54/75/46/638547546.db2.gz CMCSRFANBIKOOP-UHFFFAOYSA-N 2 0 237.347 0.291 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911624359 639684709 /nfs/dbraw/zinc/68/47/09/639684709.db2.gz RULHUTPFXHRHON-ZJUUUORDSA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911623394 639685237 /nfs/dbraw/zinc/68/52/37/639685237.db2.gz MTUJCSOQSFZSRG-YPMHNXCESA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000911624358 639685357 /nfs/dbraw/zinc/68/53/57/639685357.db2.gz RULHUTPFXHRHON-VHSXEESVSA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911623390 639686068 /nfs/dbraw/zinc/68/60/68/639686068.db2.gz MTUJCSOQSFZSRG-DGCLKSJQSA-N 2 0 241.379 0.947 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@]23CC[NH2+][C@H]2CCCC3)C1 ZINC000911661550 639694503 /nfs/dbraw/zinc/69/45/03/639694503.db2.gz WSOAQMBTEWNUDM-NTZNESFSSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@H](O)[C@H](O)CN(C)CCC[NH+]1CCCC1 ZINC000930310823 639695725 /nfs/dbraw/zinc/69/57/25/639695725.db2.gz PWRLKTDREJZLNV-NWDGAFQWSA-N 2 0 230.352 0.146 20 0 BCADRP [NH3+]CC1CCN(C(=O)C2=CCC[NH2+]CC2)CC1 ZINC000911669703 639696550 /nfs/dbraw/zinc/69/65/50/639696550.db2.gz BDGWJWLLFBPBOW-UHFFFAOYSA-N 2 0 237.347 0.494 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)NCC1CC[NH2+]CC1 ZINC000911671926 639696778 /nfs/dbraw/zinc/69/67/78/639696778.db2.gz FJFJBKYBKPNLQQ-LLVKDONJSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])C(=O)N1CC[NH2+]CC1 ZINC000911647048 639698426 /nfs/dbraw/zinc/69/84/26/639698426.db2.gz MVMJZUHXZKGMNN-LBPRGKRZSA-N 2 0 227.352 0.429 20 0 BCADRP O=C(N1CC[NH2+]CC1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC000911647133 639699460 /nfs/dbraw/zinc/69/94/60/639699460.db2.gz QKBDTCKYQDSSGA-WCQYABFASA-N 2 0 237.347 0.341 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911672377 639699905 /nfs/dbraw/zinc/69/99/05/639699905.db2.gz DDXINERUTZRZMW-AAEUAGOBSA-N 2 0 241.379 0.866 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC000911648013 639700985 /nfs/dbraw/zinc/70/09/85/639700985.db2.gz MCPVCMVOILUFDN-GRYCIOLGSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 ZINC000911648014 639701347 /nfs/dbraw/zinc/70/13/47/639701347.db2.gz MCPVCMVOILUFDN-IJLUTSLNSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]CCCNC(=O)[C@]12CC[NH2+][C@H]1CCCC2 ZINC000911647680 639701378 /nfs/dbraw/zinc/70/13/78/639701378.db2.gz HFVMHJUSTAYNCO-CMPLNLGQSA-N 2 0 225.336 0.374 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12 ZINC000911648016 639702303 /nfs/dbraw/zinc/70/23/03/639702303.db2.gz MCPVCMVOILUFDN-SDDRHHMPSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1[NH2+]CCn2c(C(=O)N3CC[C@@H]([NH3+])C3)ccc21 ZINC000911652453 639709366 /nfs/dbraw/zinc/70/93/66/639709366.db2.gz TVMMXMDJKQNUAQ-VHSXEESVSA-N 2 0 248.330 0.326 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000911654800 639709403 /nfs/dbraw/zinc/70/94/03/639709403.db2.gz BZSULMQZYQXRPG-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911652385 639709896 /nfs/dbraw/zinc/70/98/96/639709896.db2.gz PWRSKOURODOWBG-OPRDCNLKSA-N 2 0 213.325 0.310 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911652500 639710696 /nfs/dbraw/zinc/71/06/96/639710696.db2.gz UWDZUEDONHMGIC-GHMZBOCLSA-N 2 0 225.336 0.419 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)CC(C)(C)C[NH3+])C1 ZINC000911656472 639712780 /nfs/dbraw/zinc/71/27/80/639712780.db2.gz OFWHDCOZTFEABW-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C2=CCC[NH2+]CC2)C1 ZINC000911657573 639714286 /nfs/dbraw/zinc/71/42/86/639714286.db2.gz WHPFHJNKXGVWIN-LLVKDONJSA-N 2 0 223.320 0.117 20 0 BCADRP C[NH2+]CCCNC(=O)CCSCCC[NH3+] ZINC000911676870 639716392 /nfs/dbraw/zinc/71/63/92/639716392.db2.gz NAPJLASSWIJOGI-UHFFFAOYSA-N 2 0 233.381 0.184 20 0 BCADRP C[NH2+]CCCNC(=O)CC(C)(C)C[NH3+] ZINC000911676164 639717560 /nfs/dbraw/zinc/71/75/60/639717560.db2.gz IXKVJCJHJLAVSX-UHFFFAOYSA-N 2 0 201.314 0.087 20 0 BCADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)NCCC[NH2+]C ZINC000911677810 639719307 /nfs/dbraw/zinc/71/93/07/639719307.db2.gz SVWVXEJVIMRNEO-ZJUUUORDSA-N 2 0 215.341 0.476 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])C1 ZINC000911686223 639725972 /nfs/dbraw/zinc/72/59/72/639725972.db2.gz YRYGAVKWGYWSJK-XKGSQUFQSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]1[NH2+]CCn2c(C(=O)N[C@@H]3CC[NH2+]C3)ccc21 ZINC000911698787 639733578 /nfs/dbraw/zinc/73/35/78/639733578.db2.gz KMHBANUUEAEBPJ-NXEZZACHSA-N 2 0 248.330 0.244 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)C1=CCC[NH2+]CC1 ZINC000911673618 639735983 /nfs/dbraw/zinc/73/59/83/639735983.db2.gz NHFBPUCNGPNHQI-NSHDSACASA-N 2 0 223.320 0.164 20 0 BCADRP C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000911714353 639739727 /nfs/dbraw/zinc/73/97/27/639739727.db2.gz PIMNKIHNTQRKHW-UTUOFQBUSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000911712731 639740132 /nfs/dbraw/zinc/74/01/32/639740132.db2.gz CZGLWGUOPKHPDV-JTQLQIEISA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H](NC(=O)C1([NH+](C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000911719718 639743548 /nfs/dbraw/zinc/74/35/48/639743548.db2.gz OASJOTGJEIYWJC-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]CCCCC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000911721303 639744970 /nfs/dbraw/zinc/74/49/70/639744970.db2.gz VSVKUJOYITTWNY-RYUDHWBXSA-N 2 0 241.379 0.880 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)C1=CCC[NH2+]CC1 ZINC000911723973 639747669 /nfs/dbraw/zinc/74/76/69/639747669.db2.gz JFURJDTWJWXMGX-JTQLQIEISA-N 2 0 223.320 0.117 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911723366 639749465 /nfs/dbraw/zinc/74/94/65/639749465.db2.gz AJCTVICUWIJIJM-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000911723490 639749879 /nfs/dbraw/zinc/74/98/79/639749879.db2.gz DSVXFUDEXNEXIF-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](NC(=O)CC(C)(C)C[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000911725031 639751747 /nfs/dbraw/zinc/75/17/47/639751747.db2.gz HNPGIYGCXGARJJ-GHMZBOCLSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H](NC(=O)C12CC(C1)C[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000911726021 639752607 /nfs/dbraw/zinc/75/26/07/639752607.db2.gz QVDYYXLZRCOEEW-YLXHPXFOSA-N 2 0 237.347 0.243 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911705672 639758431 /nfs/dbraw/zinc/75/84/31/639758431.db2.gz AGLCSOGXBWLJKU-VXGBXAGGSA-N 2 0 241.379 0.866 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911706123 639760298 /nfs/dbraw/zinc/76/02/98/639760298.db2.gz DGHKADYASVWBPL-NNYUYHANSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911706122 639761016 /nfs/dbraw/zinc/76/10/16/639761016.db2.gz DEVVFBKKUYIXJM-WDEREUQCSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911735297 639761713 /nfs/dbraw/zinc/76/17/13/639761713.db2.gz IOLNSGBUFIDICZ-IJLUTSLNSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911739258 639763933 /nfs/dbraw/zinc/76/39/33/639763933.db2.gz SBYCVWYCBWDWSL-RYUDHWBXSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911737819 639765469 /nfs/dbraw/zinc/76/54/69/639765469.db2.gz ZJNBJSVTMNJBEL-USZNOCQGSA-N 2 0 237.347 0.052 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)c1ccccc1C[NH3+] ZINC000911740322 639766964 /nfs/dbraw/zinc/76/69/64/639766964.db2.gz IWWLBDDEGJVDSD-VIFPVBQESA-N 2 0 221.304 0.612 20 0 BCADRP C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000911748380 639772671 /nfs/dbraw/zinc/77/26/71/639772671.db2.gz LXXAKFHNBQXIPV-SNVBAGLBSA-N 2 0 213.325 0.195 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC000911747378 639772962 /nfs/dbraw/zinc/77/29/62/639772962.db2.gz FVNCWNJDJMEAOE-UTUOFQBUSA-N 2 0 239.363 0.633 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911750162 639774631 /nfs/dbraw/zinc/77/46/31/639774631.db2.gz GOJUBUWDPCTCLN-SECBINFHSA-N 2 0 215.341 0.476 20 0 BCADRP C[NH2+]CCNC(=O)[C@]12CC[NH2+][C@H]1CCCC2 ZINC000911749229 639775324 /nfs/dbraw/zinc/77/53/24/639775324.db2.gz ZBLPDZIYSBFUEZ-CMPLNLGQSA-N 2 0 225.336 0.244 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NCC[NH2+]C ZINC000911749172 639776119 /nfs/dbraw/zinc/77/61/19/639776119.db2.gz XLTCHRVCIIGXCA-DTWKUNHWSA-N 2 0 201.314 0.086 20 0 BCADRP CC[NH2+]CCNC(=O)C1=CCC[NH2+]CC1 ZINC000911751043 639776820 /nfs/dbraw/zinc/77/68/20/639776820.db2.gz UDBAQTKMSHAWEC-UHFFFAOYSA-N 2 0 211.309 0.022 20 0 BCADRP CC[NH2+]CCNC(=O)[C@]12CC[NH2+][C@H]1CCCC2 ZINC000911751848 639778769 /nfs/dbraw/zinc/77/87/69/639778769.db2.gz QENZVUPTHLVFGL-WCQYABFASA-N 2 0 239.363 0.634 20 0 BCADRP C[NH2+]C1(C(=O)N2CCC([C@@H](C)[NH3+])CC2)CCC1 ZINC000911752163 639779294 /nfs/dbraw/zinc/77/92/94/639779294.db2.gz AEQFDYNOAQORDX-SNVBAGLBSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)NCC[NH2+]C1CC1 ZINC000911753078 639781017 /nfs/dbraw/zinc/78/10/17/639781017.db2.gz YJDKJVSLVPGBGA-SNVBAGLBSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]CCCCC(=O)NC[C@H]1CCC[NH2+]1 ZINC000911752857 639781206 /nfs/dbraw/zinc/78/12/06/639781206.db2.gz YHPBEONZCBXUQR-SNVBAGLBSA-N 2 0 213.325 0.244 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000911753455 639781224 /nfs/dbraw/zinc/78/12/24/639781224.db2.gz CHNDOJAMXQULLK-GHMZBOCLSA-N 2 0 227.352 0.618 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)NCC[NH2+]C1CC1 ZINC000911752444 639782328 /nfs/dbraw/zinc/78/23/28/639782328.db2.gz PCARBMWNDQXTLK-VIFPVBQESA-N 2 0 245.392 0.325 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911754479 639783679 /nfs/dbraw/zinc/78/36/79/639783679.db2.gz MKYZPSUBMDMPJM-DGCLKSJQSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)(C[NH3+])CC(=O)NC(C)(C)C[NH3+] ZINC000911762438 639789750 /nfs/dbraw/zinc/78/97/50/639789750.db2.gz NQFWADJINAAWDS-UHFFFAOYSA-N 2 0 201.314 0.215 20 0 BCADRP C[NH2+]CCCCC(=O)NCCC[NH2+]C(C)C ZINC000911763901 639791683 /nfs/dbraw/zinc/79/16/83/639791683.db2.gz OYWKPVBCPMUDHM-UHFFFAOYSA-N 2 0 229.368 0.880 20 0 BCADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000911766268 639791979 /nfs/dbraw/zinc/79/19/79/639791979.db2.gz ZQBGZZIMTLUAST-SRVKXCTJSA-N 2 0 233.315 0.397 20 0 BCADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911769609 639792991 /nfs/dbraw/zinc/79/29/91/639792991.db2.gz WDMRRSFTLJITPD-GVXVVHGQSA-N 2 0 237.347 0.102 20 0 BCADRP [NH3+][C@@H]1C[C@H](C(=O)NCC[C@@H]2CC[NH2+]C2)[C@H]2C[C@H]21 ZINC000911767267 639793285 /nfs/dbraw/zinc/79/32/85/639793285.db2.gz ITHVDGNGVQPNSE-HHHUOAJASA-N 2 0 237.347 0.086 20 0 BCADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911768530 639794522 /nfs/dbraw/zinc/79/45/22/639794522.db2.gz QFDJIOJVXCPXDZ-WRWGMCAJSA-N 2 0 237.347 0.243 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911774437 639794841 /nfs/dbraw/zinc/79/48/41/639794841.db2.gz ICRQXSQWUXOSGI-NEPJUHHUSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)C2CC([NH2+]C)C2)C1 ZINC000911775418 639796032 /nfs/dbraw/zinc/79/60/32/639796032.db2.gz SRHXAPVORRQROZ-KPPDAEKUSA-N 2 0 225.336 0.052 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)C23CCC(CC2)[NH2+]3)C1 ZINC000911777956 639798014 /nfs/dbraw/zinc/79/80/14/639798014.db2.gz NBTZNQPTJQMMOO-XSRFYTQQSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000911777015 639798492 /nfs/dbraw/zinc/79/84/92/639798492.db2.gz GQHHABBMCWSDJY-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911813904 639801285 /nfs/dbraw/zinc/80/12/85/639801285.db2.gz PKFXRNYEAAUFAN-WHOHXGKFSA-N 2 0 239.363 0.332 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)CCSCCC[NH3+] ZINC000911814552 639804526 /nfs/dbraw/zinc/80/45/26/639804526.db2.gz TUGPRKZCCUFXFT-SECBINFHSA-N 2 0 233.381 0.264 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911788875 639805401 /nfs/dbraw/zinc/80/54/01/639805401.db2.gz SHAZPHISFRVDFX-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]C1CCN(C(=O)C23CCC(CC2)[NH2+]3)CC1 ZINC000911788028 639805783 /nfs/dbraw/zinc/80/57/83/639805783.db2.gz ZNAYCYJBXQPHEF-UHFFFAOYSA-N 2 0 237.347 0.481 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911789871 639807054 /nfs/dbraw/zinc/80/70/54/639807054.db2.gz XROYASQQUFQXPK-AAEUAGOBSA-N 2 0 241.379 0.818 20 0 BCADRP CN(C(=O)C12CCC(CC1)[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000911789889 639807527 /nfs/dbraw/zinc/80/75/27/639807527.db2.gz YFYGXJMXXVAJJH-YZRBJQDESA-N 2 0 223.320 0.091 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911790137 639808088 /nfs/dbraw/zinc/80/80/88/639808088.db2.gz ZVVKVSUEBFMAQZ-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1C[C@H](C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC[NH2+]1 ZINC000911797039 639818953 /nfs/dbraw/zinc/81/89/53/639818953.db2.gz QCKLXNSMSTZRJT-DDHJBXDOSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]([NH3+])C(C)(C)C)C[C@@H](C)[NH2+]1 ZINC000911796278 639819020 /nfs/dbraw/zinc/81/90/20/639819020.db2.gz NGMCXLSPOJGLCT-MXWKQRLJSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@H]1CN(C(=O)c2ccccc2C[NH3+])C[C@H](C)[NH2+]1 ZINC000911795722 639819621 /nfs/dbraw/zinc/81/96/21/639819621.db2.gz KUISYYGHJAFFJN-QWRGUYRKSA-N 2 0 247.342 0.968 20 0 BCADRP C[C@@H]1CN(C(=O)CC(C)(C)C[NH3+])C[C@@H](C)[NH2+]1 ZINC000911795320 639819703 /nfs/dbraw/zinc/81/97/03/639819703.db2.gz IXLZXTRGJWZGFF-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)CC(C)(C)C[NH3+] ZINC000911799396 639820687 /nfs/dbraw/zinc/82/06/87/639820687.db2.gz HHTVJEKQWJGTNY-UHFFFAOYSA-N 2 0 229.368 0.995 20 0 BCADRP C[NH2+]CCCCC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911799461 639821254 /nfs/dbraw/zinc/82/12/54/639821254.db2.gz IFSABWXWXJPATF-GFCCVEGCSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]1C[C@H](C(=O)N[C@](C)(C[NH3+])C2CC2)CC[NH2+]1 ZINC000911804113 639825313 /nfs/dbraw/zinc/82/53/13/639825313.db2.gz ZVKIRYSTGUFENQ-GIPNMCIBSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH2+]CCCCC(=O)N(C)[C@H](C)C[NH3+] ZINC000911809935 639830934 /nfs/dbraw/zinc/83/09/34/639830934.db2.gz LXEBVBBYBVTYTP-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000911813114 639834461 /nfs/dbraw/zinc/83/44/61/639834461.db2.gz LWMKMDCVCBEEDT-KXUCPTDWSA-N 2 0 213.325 0.038 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000911813123 639834651 /nfs/dbraw/zinc/83/46/51/639834651.db2.gz MDOHHBZWUARFKS-NXEZZACHSA-N 2 0 247.408 0.556 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N(C)[C@H](C)C[NH3+] ZINC000911812794 639834948 /nfs/dbraw/zinc/83/49/48/639834948.db2.gz JBMJUKMLCYJRQM-ZJUUUORDSA-N 2 0 215.341 0.556 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000911819467 639836229 /nfs/dbraw/zinc/83/62/29/639836229.db2.gz DMJYOZHMCQQABX-QJPTWQEYSA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000911818875 639836343 /nfs/dbraw/zinc/83/63/43/639836343.db2.gz MVQMWQAKHNMSNJ-UTUOFQBUSA-N 2 0 241.379 0.722 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911824506 639837477 /nfs/dbraw/zinc/83/74/77/639837477.db2.gz DHUQJQFYTCZCPM-XXFSISAASA-N 2 0 225.336 0.069 20 0 BCADRP C[NH2+]C1(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CCC1 ZINC000911824428 639838160 /nfs/dbraw/zinc/83/81/60/639838160.db2.gz NVXBKDCHWUOKMW-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C1=CCC[NH2+]CC1 ZINC000911828102 639838671 /nfs/dbraw/zinc/83/86/71/639838671.db2.gz ZDYZVQZDWFFNMA-NSHDSACASA-N 2 0 225.336 0.396 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911827092 639839769 /nfs/dbraw/zinc/83/97/69/639839769.db2.gz RSYICSLDVWURHM-ZJUUUORDSA-N 2 0 229.368 0.849 20 0 BCADRP C[NH2+]CCCCC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911831007 639842391 /nfs/dbraw/zinc/84/23/91/639842391.db2.gz AZVXYNXYSWQUGK-JTQLQIEISA-N 2 0 213.325 0.230 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000911834317 639845916 /nfs/dbraw/zinc/84/59/16/639845916.db2.gz POLGNGAIQVSEIP-ZJUUUORDSA-N 2 0 227.352 0.603 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000911816641 639848388 /nfs/dbraw/zinc/84/83/88/639848388.db2.gz CQIZYHNXUGDZLY-SFXRXQKFSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@@H]1CN(C(=O)CC(C)(C)C[NH3+])CC[C@H]1[NH3+] ZINC000911818745 639849703 /nfs/dbraw/zinc/84/97/03/639849703.db2.gz NNQVYOCOUCQERG-NXEZZACHSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@H]1CN(C(=O)CC(C)(C)C[NH3+])CC[C@H]1[NH3+] ZINC000911818748 639849751 /nfs/dbraw/zinc/84/97/51/639849751.db2.gz NNQVYOCOUCQERG-VHSXEESVSA-N 2 0 227.352 0.557 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000911869526 639852673 /nfs/dbraw/zinc/85/26/73/639852673.db2.gz WMIHKBSJNMQOAL-QJPTWQEYSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911870013 639853067 /nfs/dbraw/zinc/85/30/67/639853067.db2.gz GVSGVJNYFIDVAP-GMTAPVOTSA-N 2 0 227.352 0.413 20 0 BCADRP C[NH2+]C1(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CCC1 ZINC000911869847 639853289 /nfs/dbraw/zinc/85/32/89/639853289.db2.gz FEPVQPKNLZWTQD-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP O=C(C1=CCC[NH2+]CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911856000 639860625 /nfs/dbraw/zinc/86/06/25/639860625.db2.gz LYADYFKKQRLPIX-OLZOCXBDSA-N 2 0 249.358 0.649 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911880391 639867083 /nfs/dbraw/zinc/86/70/83/639867083.db2.gz VFXMFBLEDJHOLH-MJDLHHQISA-N 2 0 239.363 0.603 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000911880570 639867315 /nfs/dbraw/zinc/86/73/15/639867315.db2.gz NQJMKJRLBZQEKX-IJLUTSLNSA-N 2 0 241.379 0.866 20 0 BCADRP CN(C)[C@@H]1[C@H]2C[N@H+](C[C@H]3C[C@@]34CCOC4)C[C@H]21 ZINC000931275845 640120680 /nfs/dbraw/zinc/12/06/80/640120680.db2.gz ANOGPKDPPRYFBG-PEBLQZBPSA-N 2 0 236.359 0.905 20 0 BCADRP C[NH+]1C[C@]2(C)CN([C@@H]3CCNC3=O)C[C@@]2(C)C1 ZINC000931310748 640148569 /nfs/dbraw/zinc/14/85/69/640148569.db2.gz MUEYSTZJWCWKBG-RAIGVLPGSA-N 2 0 237.347 0.149 20 0 BCADRP CSC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436839 640203153 /nfs/dbraw/zinc/20/31/53/640203153.db2.gz NEKQIXSAHNBMOB-QJPTWQEYSA-N 2 0 244.404 0.594 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436840 640204081 /nfs/dbraw/zinc/20/40/81/640204081.db2.gz NEKQIXSAHNBMOB-TUAOUCFPSA-N 2 0 244.404 0.594 20 0 BCADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1=O ZINC000931439504 640207580 /nfs/dbraw/zinc/20/75/80/640207580.db2.gz NTRQWWIJRJHETG-TUAOUCFPSA-N 2 0 237.347 0.101 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]([NH+]2CCC2)C1)[NH+](C)C ZINC000912900869 640233487 /nfs/dbraw/zinc/23/34/87/640233487.db2.gz UFAMPWKYCHLZLE-VXGBXAGGSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@H]([NH+]2CCC2)C1)[NH+](C)C ZINC000912900868 640234527 /nfs/dbraw/zinc/23/45/27/640234527.db2.gz UFAMPWKYCHLZLE-RYUDHWBXSA-N 2 0 239.363 0.633 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912916474 640241179 /nfs/dbraw/zinc/24/11/79/640241179.db2.gz QBXHXMGMSLGYPR-GFCCVEGCSA-N 2 0 239.363 0.635 20 0 BCADRP COCC(COC)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000931548313 640268131 /nfs/dbraw/zinc/26/81/31/640268131.db2.gz IEESKNSQAJRMGQ-WCQYABFASA-N 2 0 242.363 0.674 20 0 BCADRP CNC(=O)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000151031371 640277028 /nfs/dbraw/zinc/27/70/28/640277028.db2.gz NEOWHJGIBYZTAP-UHFFFAOYSA-N 2 0 213.325 0.006 20 0 BCADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000044515760 640398641 /nfs/dbraw/zinc/39/86/41/640398641.db2.gz ZCZDHABHNAWERP-LBPRGKRZSA-N 2 0 212.337 0.954 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@H]2CCCCNC2=O)CC1 ZINC000044518342 640399027 /nfs/dbraw/zinc/39/90/27/640399027.db2.gz CNGBVYHJIGACGO-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP CN(C)C(=O)CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000044518075 640399916 /nfs/dbraw/zinc/39/99/16/640399916.db2.gz UYXXUIWUUFXTQC-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP C[NH+]1CCN(CCC[NH2+]Cc2cnc[nH]2)CC1 ZINC000054763586 640405991 /nfs/dbraw/zinc/40/59/91/640405991.db2.gz HNSMMLSJRDRVQP-UHFFFAOYSA-N 2 0 237.351 0.137 20 0 BCADRP CC[NH2+]CC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000044650065 640445734 /nfs/dbraw/zinc/44/57/34/640445734.db2.gz VMPGRXHGJDJGGU-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP CC[NH2+]CC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000044646681 640446674 /nfs/dbraw/zinc/44/66/74/640446674.db2.gz UMZUJSCZQLLVQL-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044648404 640446677 /nfs/dbraw/zinc/44/66/77/640446677.db2.gz UIKVXZHHEPCHLM-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP CC[NH2+]CC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000044650636 640448375 /nfs/dbraw/zinc/44/83/75/640448375.db2.gz APNJFMHAYIJKDT-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000044995417 640481967 /nfs/dbraw/zinc/48/19/67/640481967.db2.gz KYYZDIUXVXKRTB-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CC[N@@H+](CCC(N)=O)CC[C@H]1CCC[NH+]1C ZINC000932478696 640546081 /nfs/dbraw/zinc/54/60/81/640546081.db2.gz KIOYEKTZYXVIOM-LLVKDONJSA-N 2 0 227.352 0.668 20 0 BCADRP C[NH2+]CCN(C)C(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000157077239 640570323 /nfs/dbraw/zinc/57/03/23/640570323.db2.gz ZICHGAHTCCHNPM-NEPJUHHUSA-N 2 0 241.379 0.690 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@@H](O)COC)CC[C@@H]1[NH3+] ZINC000226035503 640725972 /nfs/dbraw/zinc/72/59/72/640725972.db2.gz BXYXYMQGJFHTTF-MXWKQRLJSA-N 2 0 216.325 0.053 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226328417 640747120 /nfs/dbraw/zinc/74/71/20/640747120.db2.gz MTILQJLYMFVXPO-RYUDHWBXSA-N 2 0 230.352 0.445 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226330042 640747257 /nfs/dbraw/zinc/74/72/57/640747257.db2.gz QOSFJUPIPUAASI-WDEREUQCSA-N 2 0 216.325 0.055 20 0 BCADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000226328944 640748099 /nfs/dbraw/zinc/74/80/99/640748099.db2.gz XWESNKIIEFVGEG-RKDXNWHRSA-N 2 0 240.269 0.970 20 0 BCADRP CC(C)[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733640 640760636 /nfs/dbraw/zinc/76/06/36/640760636.db2.gz HDNLEZQJYTVYGG-RWMBFGLXSA-N 2 0 226.364 0.887 20 0 BCADRP [NH3+]C[C@H]1CC[N@H+](CCCCCCO)C1 ZINC000226419818 640762486 /nfs/dbraw/zinc/76/24/86/640762486.db2.gz CFSBZJHIASWXBF-LLVKDONJSA-N 2 0 200.326 0.820 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CC[N@@H+]1C ZINC000158110367 640806177 /nfs/dbraw/zinc/80/61/77/640806177.db2.gz GQXVTZVLTGISIL-QWRGUYRKSA-N 2 0 240.351 0.084 20 0 BCADRP [NH3+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000227236216 640822320 /nfs/dbraw/zinc/82/23/20/640822320.db2.gz FTLOPCVADYFDOA-DCAQKATOSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000227649920 640844282 /nfs/dbraw/zinc/84/42/82/640844282.db2.gz HVAVLGKJGZVSJR-VXGBXAGGSA-N 2 0 211.353 0.764 20 0 BCADRP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227765845 640847980 /nfs/dbraw/zinc/84/79/80/640847980.db2.gz SMCCBDBBJSPTQV-SRVKXCTJSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229258379 640938936 /nfs/dbraw/zinc/93/89/36/640938936.db2.gz UWPDXNRDSQTOHX-SDDRHHMPSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229258312 640940225 /nfs/dbraw/zinc/94/02/25/640940225.db2.gz GSXOCLCQCYJLDV-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)[NH+](C)C ZINC000062896970 641104987 /nfs/dbraw/zinc/10/49/87/641104987.db2.gz CSMBBSLHTTURCE-KOLCDFICSA-N 2 0 213.325 0.052 20 0 BCADRP C[N@H+](CCCO)CC1CC[NH+](C)CC1 ZINC000063121311 641134392 /nfs/dbraw/zinc/13/43/92/641134392.db2.gz TZCUADVNVPRCKM-UHFFFAOYSA-N 2 0 200.326 0.642 20 0 BCADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCOC2)CC1 ZINC000088714457 641381510 /nfs/dbraw/zinc/38/15/10/641381510.db2.gz CGPXXQSOUCLQOH-CYBMUJFWSA-N 2 0 241.379 0.393 20 0 BCADRP C[N@H+](CC(=O)NC12CC[NH+](CC1)C2)C1CCC1 ZINC000913635074 641436922 /nfs/dbraw/zinc/43/69/22/641436922.db2.gz POPBLSPNZRBVKJ-UHFFFAOYSA-N 2 0 237.347 0.435 20 0 BCADRP C[C@@H](CC(=O)NC(C)(C)C[NH3+])C1CC[NH2+]CC1 ZINC000151911143 641479157 /nfs/dbraw/zinc/47/91/57/641479157.db2.gz ZWCVDOJNIJIMCU-JTQLQIEISA-N 2 0 241.379 0.866 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)CCCCC[NH3+])C1CC1 ZINC000155477843 641573589 /nfs/dbraw/zinc/57/35/89/641573589.db2.gz ILALUJDTFBFVCX-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2([NH3+])CC2)C1 ZINC000572833659 641614382 /nfs/dbraw/zinc/61/43/82/641614382.db2.gz BHBUPWOXQVLCFX-MNOVXSKESA-N 2 0 237.347 0.420 20 0 BCADRP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1C ZINC000914391399 641657661 /nfs/dbraw/zinc/65/76/61/641657661.db2.gz IHKBVFVXHJBIDT-MNOVXSKESA-N 2 0 240.351 0.084 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000227166149 641728747 /nfs/dbraw/zinc/72/87/47/641728747.db2.gz ITYHMKRSPRLNGQ-OUAUKWLOSA-N 2 0 216.325 0.053 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000915153324 641806108 /nfs/dbraw/zinc/80/61/08/641806108.db2.gz NMUSAOKXYWPHKY-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP CCN1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001031260901 641867658 /nfs/dbraw/zinc/86/76/58/641867658.db2.gz WYZQOXITOQRXOS-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H](C)[NH+](C)C)C(C)C ZINC000078741685 641948696 /nfs/dbraw/zinc/94/86/96/641948696.db2.gz HIZDCXVHIXJZQN-NSHDSACASA-N 2 0 229.368 0.783 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000191987798 641955005 /nfs/dbraw/zinc/95/50/05/641955005.db2.gz HYVGQWJUPXKUFF-GMTAPVOTSA-N 2 0 229.368 0.802 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000154262529 641996925 /nfs/dbraw/zinc/99/69/25/641996925.db2.gz DVKVGWJCPLPWNX-LBPRGKRZSA-N 2 0 227.352 0.492 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089747546 642109576 /nfs/dbraw/zinc/10/95/76/642109576.db2.gz RVQCKARYYJPWBL-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CO)[C@H](C)C1 ZINC000930001222 642139934 /nfs/dbraw/zinc/13/99/34/642139934.db2.gz SCIZLDVEADZFJO-WOPDTQHZSA-N 2 0 230.352 0.002 20 0 BCADRP C[NH+](C)CCNC(=S)NCC[NH+]1CCCC1 ZINC000918061976 642164581 /nfs/dbraw/zinc/16/45/81/642164581.db2.gz BXDCYYAGHZTASP-UHFFFAOYSA-N 2 0 244.408 0.108 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000160722194 642314178 /nfs/dbraw/zinc/31/41/78/642314178.db2.gz UOCAXDKFSHREEQ-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000154956129 642326486 /nfs/dbraw/zinc/32/64/86/642326486.db2.gz FBIHDOGEMIVXHB-JQWIXIFHSA-N 2 0 225.336 0.372 20 0 BCADRP CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681016 642571058 /nfs/dbraw/zinc/57/10/58/642571058.db2.gz BVBSJTYEVHNBDP-ZYHUDNBSSA-N 2 0 239.363 0.395 20 0 BCADRP CC[C@@H]1CN(C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000233952507 642713453 /nfs/dbraw/zinc/71/34/53/642713453.db2.gz XXVAUFSHHMHOAW-GRYCIOLGSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@H]1C[C@H](NCC2(C)OCCO2)CC[N@@H+]1C ZINC000179573175 642726991 /nfs/dbraw/zinc/72/69/91/642726991.db2.gz AFHYWBFNUMEKCJ-WDEREUQCSA-N 2 0 228.336 0.822 20 0 BCADRP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962578713 642731222 /nfs/dbraw/zinc/73/12/22/642731222.db2.gz QNANAUJFHDFMCR-PJXYFTJBSA-N 2 0 237.347 0.149 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCF)C1)[NH+](C)C ZINC000969074901 642823736 /nfs/dbraw/zinc/82/37/36/642823736.db2.gz ZDTZLPSZFGUMAL-GHMZBOCLSA-N 2 0 245.342 0.487 20 0 BCADRP C[NH2+]CCN(C)C(=O)CCCCC[NH3+] ZINC000069803102 642916454 /nfs/dbraw/zinc/91/64/54/642916454.db2.gz VYTRBVZGDJEWDJ-UHFFFAOYSA-N 2 0 201.314 0.183 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC(C)(C)C[NH+](C)C ZINC000069838766 642921535 /nfs/dbraw/zinc/92/15/35/642921535.db2.gz FFPSYZYLWVWJIG-SNVBAGLBSA-N 2 0 229.368 0.818 20 0 BCADRP CN(CC1OCCO1)C[C@@H]1CCC[N@H+](C)C1 ZINC000182343148 642999616 /nfs/dbraw/zinc/99/96/16/642999616.db2.gz HKBSQJUECPKBQP-LLVKDONJSA-N 2 0 228.336 0.633 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001019044471 643018127 /nfs/dbraw/zinc/01/81/27/643018127.db2.gz VAHRSHYSNQYLNW-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000304542800 643124962 /nfs/dbraw/zinc/12/49/62/643124962.db2.gz KZLVCWSFXTXSHW-GHMZBOCLSA-N 2 0 224.352 0.654 20 0 BCADRP CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031976968 643147241 /nfs/dbraw/zinc/14/72/41/643147241.db2.gz UQGNMWQSFJVUDE-CMPLNLGQSA-N 2 0 239.363 0.252 20 0 BCADRP COCCNC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000066244963 643165258 /nfs/dbraw/zinc/16/52/58/643165258.db2.gz LYCHGWWEIZUKNT-UHFFFAOYSA-N 2 0 230.356 0.125 20 0 BCADRP C=CCNC(=[NH2+])NCC[N@@H+](CC)C(C)C ZINC000066246535 643165431 /nfs/dbraw/zinc/16/54/31/643165431.db2.gz SWRMYDURQLMABS-UHFFFAOYSA-N 2 0 212.341 0.807 20 0 BCADRP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001020589758 643221804 /nfs/dbraw/zinc/22/18/04/643221804.db2.gz BITUELQICLHCJD-FIQHERPVSA-N 2 0 239.363 0.441 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000082241804 643279806 /nfs/dbraw/zinc/27/98/06/643279806.db2.gz CIBLYKQFBCMEGR-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000082679991 643365221 /nfs/dbraw/zinc/36/52/21/643365221.db2.gz OLSKMGRLEASOHR-APPZFPTMSA-N 2 0 240.269 0.969 20 0 BCADRP [NH3+]CC1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000082681373 643367689 /nfs/dbraw/zinc/36/76/89/643367689.db2.gz GKXNLDMGYJVVRS-QMMMGPOBSA-N 2 0 226.242 0.580 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCF)C2)C1 ZINC001021049921 643394920 /nfs/dbraw/zinc/39/49/20/643394920.db2.gz YLGYBOMCXWYNEE-GMTAPVOTSA-N 2 0 243.326 0.144 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000069721139 643450378 /nfs/dbraw/zinc/45/03/78/643450378.db2.gz JWHBAOCGQNSJIU-GHMZBOCLSA-N 2 0 216.325 0.197 20 0 BCADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]CCF)C1 ZINC000970718466 643511744 /nfs/dbraw/zinc/51/17/44/643511744.db2.gz VPLGEEIXPZZBGV-LLVKDONJSA-N 2 0 243.326 0.242 20 0 BCADRP CN1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CCC1=O ZINC000084060482 643643730 /nfs/dbraw/zinc/64/37/30/643643730.db2.gz PMSUQBBQKXAKBU-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP CCCNC(=O)CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084221170 643649748 /nfs/dbraw/zinc/64/97/48/643649748.db2.gz XMPGSXFHLKWICO-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998554584 643712216 /nfs/dbraw/zinc/71/22/16/643712216.db2.gz YYPNLTMOFCEKAS-MCIGGMRASA-N 2 0 239.363 0.680 20 0 BCADRP COCCOCC[N@H+](C)C1CCC([NH3+])CC1 ZINC000085869726 643824309 /nfs/dbraw/zinc/82/43/09/643824309.db2.gz ZXUSLAJRGGCQJX-UHFFFAOYSA-N 2 0 230.352 0.851 20 0 BCADRP C[N@H+](CC(=O)NC1CC1)C1CCC([NH3+])CC1 ZINC000085869923 643824488 /nfs/dbraw/zinc/82/44/88/643824488.db2.gz VSNDFCOBRGXWOG-UHFFFAOYSA-N 2 0 225.336 0.467 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086068429 643898452 /nfs/dbraw/zinc/89/84/52/643898452.db2.gz VRFJANZHTJHVPI-VHSXEESVSA-N 2 0 225.336 0.195 20 0 BCADRP COC/C(C)=C/C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000929312525 644066947 /nfs/dbraw/zinc/06/69/47/644066947.db2.gz KKWTXGFESPKSCY-HQCZBSGJSA-N 2 0 210.321 0.730 20 0 BCADRP CCO[C@H](CN[C@@H]1C[N@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000922757768 644088213 /nfs/dbraw/zinc/08/82/13/644088213.db2.gz LSVRYJJIQSCPBN-YNEHKIRRSA-N 2 0 243.395 0.493 20 0 BCADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000922981528 644214787 /nfs/dbraw/zinc/21/47/87/644214787.db2.gz SBVRXZSFQORHSW-JTQLQIEISA-N 2 0 240.351 0.084 20 0 BCADRP COC[C@H]1COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000923274276 644306543 /nfs/dbraw/zinc/30/65/43/644306543.db2.gz SBCWDUPJSPOAOF-LBPRGKRZSA-N 2 0 228.336 0.333 20 0 BCADRP CSC[C@H](O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000923284128 644308831 /nfs/dbraw/zinc/30/88/31/644308831.db2.gz HTTKDAGKQVIPHL-GXSJLCMTSA-N 2 0 232.393 0.770 20 0 BCADRP C[NH2+][C@@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000923284636 644309839 /nfs/dbraw/zinc/30/98/39/644309839.db2.gz QLZLDZLUANXQSJ-GFCCVEGCSA-N 2 0 211.353 0.812 20 0 BCADRP CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923279480 644311996 /nfs/dbraw/zinc/31/19/96/644311996.db2.gz CCMCKCIGQQROPY-STQMWFEESA-N 2 0 244.379 0.833 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923282435 644317127 /nfs/dbraw/zinc/31/71/27/644317127.db2.gz WCHYQWWWHUARQO-RYUDHWBXSA-N 2 0 239.363 0.178 20 0 BCADRP C[C@H]1CN(CCC[NH2+]C2CC2)C[C@H](C)[NH2+]1 ZINC000923285086 644317207 /nfs/dbraw/zinc/31/72/07/644317207.db2.gz ANDAKZQSCXISIW-QWRGUYRKSA-N 2 0 211.353 0.811 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000923282530 644318736 /nfs/dbraw/zinc/31/87/36/644318736.db2.gz VKBZOBVLSCVCOL-MNOVXSKESA-N 2 0 216.325 0.055 20 0 BCADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923290208 644322602 /nfs/dbraw/zinc/32/26/02/644322602.db2.gz VVUZPEXRICCANU-FRRDWIJNSA-N 2 0 244.379 0.832 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](O)CSC)C1 ZINC000923289221 644323069 /nfs/dbraw/zinc/32/30/69/644323069.db2.gz HEXXVDRIOKCZHE-NXEZZACHSA-N 2 0 218.366 0.252 20 0 BCADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923290209 644323332 /nfs/dbraw/zinc/32/33/32/644323332.db2.gz VVUZPEXRICCANU-RWMBFGLXSA-N 2 0 244.379 0.832 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000923290787 644325395 /nfs/dbraw/zinc/32/53/95/644325395.db2.gz NTEHMRKAPWVZID-GFCCVEGCSA-N 2 0 230.352 0.581 20 0 BCADRP CC(C)OCC[C@@H](O)C[N@H+](C)CCC[NH3+] ZINC000923290662 644326747 /nfs/dbraw/zinc/32/67/47/644326747.db2.gz IRZDOLJWHPGEJF-LLVKDONJSA-N 2 0 218.341 0.443 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](O)COCC(C)C)C1 ZINC000923290831 644326900 /nfs/dbraw/zinc/32/69/00/644326900.db2.gz OSNAQNWPNWACEH-QWHCGFSZSA-N 2 0 244.379 0.561 20 0 BCADRP CCOCC[C@@H](O)CN1CCC[C@H]1C[NH3+] ZINC000923293156 644328955 /nfs/dbraw/zinc/32/89/55/644328955.db2.gz OIDILROVKDLTEF-WDEREUQCSA-N 2 0 216.325 0.197 20 0 BCADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCO[C@H]1CCOC1 ZINC000923295991 644331997 /nfs/dbraw/zinc/33/19/97/644331997.db2.gz MJYSKZHKFJLRON-RYUDHWBXSA-N 2 0 230.352 0.755 20 0 BCADRP C[C@](C[NH3+])([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923295969 644332831 /nfs/dbraw/zinc/33/28/31/644332831.db2.gz LQSJXTVJQNJFRQ-VXGBXAGGSA-N 3 0 239.363 0.082 20 0 BCADRP CCO[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923306893 644337666 /nfs/dbraw/zinc/33/76/66/644337666.db2.gz VSJXDFCYTBQJQW-USZNOCQGSA-N 2 0 228.336 0.338 20 0 BCADRP C[N@H+](CCC1CCOCC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923314167 644339492 /nfs/dbraw/zinc/33/94/92/644339492.db2.gz RCZGYWYSSXBORK-AVGNSLFASA-N 2 0 242.363 0.586 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H](C)CO1 ZINC000923304013 644340080 /nfs/dbraw/zinc/34/00/80/644340080.db2.gz AZKYHCPHSSMWDR-UTUOFQBUSA-N 2 0 240.347 0.474 20 0 BCADRP COC[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923312491 644340261 /nfs/dbraw/zinc/34/02/61/644340261.db2.gz IJXYDNDGXPBCHW-BJDJZHNGSA-N 2 0 228.336 0.195 20 0 BCADRP CC1(C)CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923313394 644340571 /nfs/dbraw/zinc/34/05/71/644340571.db2.gz XVCGFRDEGIHTCI-DCAQKATOSA-N 2 0 212.337 0.959 20 0 BCADRP CC(C)CC[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923303739 644340789 /nfs/dbraw/zinc/34/07/89/644340789.db2.gz JNGIMNBFRPIOBY-DCAQKATOSA-N 2 0 200.326 0.815 20 0 BCADRP C[C@@H]1COC[C@@H](C)[NH+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923314162 644341923 /nfs/dbraw/zinc/34/19/23/644341923.db2.gz RBFZAFJFMYNGHT-IJLUTSLNSA-N 2 0 240.347 0.474 20 0 BCADRP CO[C@@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923315891 644342770 /nfs/dbraw/zinc/34/27/70/644342770.db2.gz MDVLRFHYULSDKN-MNOVXSKESA-N 2 0 226.320 0.086 20 0 BCADRP OCC[C@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923315628 644343528 /nfs/dbraw/zinc/34/35/28/644343528.db2.gz LBLDGKJHKPMFEC-VXGBXAGGSA-N 2 0 240.347 0.069 20 0 BCADRP CC1(C)C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCCO1 ZINC000923315130 644343539 /nfs/dbraw/zinc/34/35/39/644343539.db2.gz FXGRAWSMCJNGMF-DCAQKATOSA-N 2 0 228.336 0.338 20 0 BCADRP CC[NH+]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923317515 644345111 /nfs/dbraw/zinc/34/51/11/644345111.db2.gz DKUXCCCWCHZRMQ-GFCCVEGCSA-N 2 0 239.363 0.002 20 0 BCADRP CCOCC[N@H+](CC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923309541 644345988 /nfs/dbraw/zinc/34/59/88/644345988.db2.gz RQHDWQUGUVMKBS-LBPRGKRZSA-N 2 0 242.363 0.723 20 0 BCADRP C[N@H+](C[C@@H]1CCCCO1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923310501 644346251 /nfs/dbraw/zinc/34/62/51/644346251.db2.gz WJDFPLNVYVDACP-BJDJZHNGSA-N 2 0 228.336 0.338 20 0 BCADRP CC(C)CO[C@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923319314 644347118 /nfs/dbraw/zinc/34/71/18/644347118.db2.gz VUUQFJMPZMPBIS-CYDGBPFRSA-N 2 0 242.363 0.584 20 0 BCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000923333666 644354784 /nfs/dbraw/zinc/35/47/84/644354784.db2.gz RDVMLUUHVAXUSF-FIQHERPVSA-N 2 0 228.336 0.053 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923333009 644355102 /nfs/dbraw/zinc/35/51/02/644355102.db2.gz SRJXVXXRERTFPD-LLVKDONJSA-N 2 0 244.404 0.786 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000923348403 644361401 /nfs/dbraw/zinc/36/14/01/644361401.db2.gz GFYIFMLLBYMPOH-GHMZBOCLSA-N 2 0 232.393 0.771 20 0 BCADRP COC[C@@H](O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000923357519 644364244 /nfs/dbraw/zinc/36/42/44/644364244.db2.gz PCSUUJWNUWHVTM-OLZOCXBDSA-N 2 0 242.363 0.315 20 0 BCADRP CC1([NH3+])CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000923346312 644364820 /nfs/dbraw/zinc/36/48/20/644364820.db2.gz PDTVDIVPXSSRBU-LLVKDONJSA-N 2 0 238.335 0.057 20 0 BCADRP C[C@H]1[NH2+]CCN(CCC[NH2+]C2CC2)[C@H]1C ZINC000923345744 644365441 /nfs/dbraw/zinc/36/54/41/644365441.db2.gz MHBWEBQKCAWNIP-MNOVXSKESA-N 2 0 211.353 0.811 20 0 BCADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923357530 644365924 /nfs/dbraw/zinc/36/59/24/644365924.db2.gz XTAWLOZGFCJMBK-NWDGAFQWSA-N 3 0 239.363 0.036 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923358498 644366204 /nfs/dbraw/zinc/36/62/04/644366204.db2.gz HSDYPYJKFWXABZ-GMTAPVOTSA-N 2 0 230.377 0.394 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1cc(O)ccc1Cl ZINC000923358715 644367328 /nfs/dbraw/zinc/36/73/28/644367328.db2.gz FSHGZYBTESAVPU-UHFFFAOYSA-N 2 0 229.711 0.421 20 0 BCADRP C(C[NH2+]C1CC1)CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923358247 644368149 /nfs/dbraw/zinc/36/81/49/644368149.db2.gz GHMVAVVWQRYRGH-WCQYABFASA-N 2 0 223.364 0.812 20 0 BCADRP CC(C)(C)c1cc(CNC(C[NH3+])C[NH3+])no1 ZINC000923359107 644368834 /nfs/dbraw/zinc/36/88/34/644368834.db2.gz LWSVMFCXFIAORR-UHFFFAOYSA-N 2 0 226.324 0.348 20 0 BCADRP Cc1cccc(C)c1OCCNC(C[NH3+])C[NH3+] ZINC000923354876 644371341 /nfs/dbraw/zinc/37/13/41/644371341.db2.gz YDVLRFQNKQOQFJ-UHFFFAOYSA-N 2 0 237.347 0.558 20 0 BCADRP [NH3+]CC(C[NH3+])NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000923356539 644372914 /nfs/dbraw/zinc/37/29/14/644372914.db2.gz MWLIFZMOBVFQGQ-KGLIPLIRSA-N 2 0 249.358 0.782 20 0 BCADRP CCCc1nc(CNC(C[NH3+])C[NH3+])cs1 ZINC000923354977 644373047 /nfs/dbraw/zinc/37/30/47/644373047.db2.gz ZZMQEWNIDQUZQZ-UHFFFAOYSA-N 2 0 228.365 0.471 20 0 BCADRP Cc1ccccc1OCCNC(C[NH3+])C[NH3+] ZINC000923354894 644373057 /nfs/dbraw/zinc/37/30/57/644373057.db2.gz ZMLNCVXTDSEQTD-UHFFFAOYSA-N 2 0 223.320 0.249 20 0 BCADRP [NH3+]CC(C[NH3+])NC[C@H]1CCC2(CCCC2)O1 ZINC000923357237 644375249 /nfs/dbraw/zinc/37/52/49/644375249.db2.gz VBXFTHJCRGYMTD-LLVKDONJSA-N 2 0 227.352 0.354 20 0 BCADRP CCOCC[C@H](O)CN1CC[C@H]([NH3+])[C@@H]1C ZINC000923367866 644377937 /nfs/dbraw/zinc/37/79/37/644377937.db2.gz JWTCLHRWOOBLDA-DCAQKATOSA-N 2 0 216.325 0.195 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923367158 644378381 /nfs/dbraw/zinc/37/83/81/644378381.db2.gz SXVQABRDZLSFTN-NWDGAFQWSA-N 2 0 244.404 0.786 20 0 BCADRP CCCCCC[C@@H](O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000923367439 644378661 /nfs/dbraw/zinc/37/86/61/644378661.db2.gz VBPOARHFYXLGTB-VXGBXAGGSA-N 2 0 232.368 0.569 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923365903 644379501 /nfs/dbraw/zinc/37/95/01/644379501.db2.gz IGLPOIIQRZRKDE-NWDGAFQWSA-N 2 0 228.336 0.069 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923366274 644379557 /nfs/dbraw/zinc/37/95/57/644379557.db2.gz JGKUUKKFLZTMAK-CHWSQXEVSA-N 2 0 242.363 0.459 20 0 BCADRP CC(C)(C)[C@H](CN)[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923369108 644379972 /nfs/dbraw/zinc/37/99/72/644379972.db2.gz VXSNTQOERVERFT-QWRGUYRKSA-N 2 0 241.379 0.328 20 0 BCADRP CO[C@H](CNC(C[NH3+])C[NH3+])C1CCCCC1 ZINC000923360247 644383487 /nfs/dbraw/zinc/38/34/87/644383487.db2.gz YYPFGWFVOFLHTF-GFCCVEGCSA-N 2 0 229.368 0.457 20 0 BCADRP CC(C)OC[C@H](O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000923371274 644384402 /nfs/dbraw/zinc/38/44/02/644384402.db2.gz WTADKBGOHUEWRW-NEPJUHHUSA-N 2 0 244.379 0.750 20 0 BCADRP C[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923362228 644385945 /nfs/dbraw/zinc/38/59/45/644385945.db2.gz MINUVCUJQCGFRU-QJPTWQEYSA-N 2 0 212.337 0.689 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000923362608 644386354 /nfs/dbraw/zinc/38/63/54/644386354.db2.gz PGRPNCQLTGEQDZ-YNEHKIRRSA-N 2 0 242.363 0.315 20 0 BCADRP C[C@@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)[C@@H](C)C[NH2+]1 ZINC000923362395 644387139 /nfs/dbraw/zinc/38/71/39/644387139.db2.gz SKFRJEWKSKWAPC-GRYCIOLGSA-N 2 0 239.363 0.047 20 0 BCADRP C[C@H](O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000923375006 644388433 /nfs/dbraw/zinc/38/84/33/644388433.db2.gz FXDNKLFOLZDTQK-UHTWSYAYSA-N 2 0 242.363 0.586 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000923374815 644388750 /nfs/dbraw/zinc/38/87/50/644388750.db2.gz CSVRVCCZLCOCCM-GMTAPVOTSA-N 2 0 232.393 0.627 20 0 BCADRP CO[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@H]1C ZINC000923374586 644390249 /nfs/dbraw/zinc/39/02/49/644390249.db2.gz ZWZQDIOMJFGLJC-DGORSVRFSA-N 2 0 228.336 0.194 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@@H](O)CCOC(C)C ZINC000923378340 644392470 /nfs/dbraw/zinc/39/24/70/644392470.db2.gz HHKSBVQCTOWTLH-LBPRGKRZSA-N 2 0 232.368 0.704 20 0 BCADRP C(C[NH2+]C1CC1)CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923382078 644393652 /nfs/dbraw/zinc/39/36/52/644393652.db2.gz XJAMTQWYGSUMAS-ZDUSSCGKSA-N 2 0 223.364 0.956 20 0 BCADRP CCOCC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923381601 644394886 /nfs/dbraw/zinc/39/48/86/644394886.db2.gz JTQBHKYAIUJVEA-IJLUTSLNSA-N 2 0 230.352 0.633 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000923383785 644395849 /nfs/dbraw/zinc/39/58/49/644395849.db2.gz MSVKTRAKMHIRHM-RYUDHWBXSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@@H](O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000923383715 644396510 /nfs/dbraw/zinc/39/65/10/644396510.db2.gz LXEHUCBZHDWIRT-WDEREUQCSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@@H](O)C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923391259 644396624 /nfs/dbraw/zinc/39/66/24/644396624.db2.gz XBJHXTHLFJDJER-PWSUYJOCSA-N 2 0 240.347 0.210 20 0 BCADRP COC[C@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923401904 644405968 /nfs/dbraw/zinc/40/59/68/644405968.db2.gz ACVZNBCQJURUEG-NEPJUHHUSA-N 2 0 240.347 0.476 20 0 BCADRP CC(C)CC[C@H](O)C[N@H+](C)CCOCC[NH3+] ZINC000923402743 644406572 /nfs/dbraw/zinc/40/65/72/644406572.db2.gz LLOBPBCUAFLGPF-LBPRGKRZSA-N 2 0 232.368 0.691 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2C[C@@H]3CC=CC[C@@H]3C2)C1 ZINC000923416479 644409184 /nfs/dbraw/zinc/40/91/84/644409184.db2.gz XDQXZDXAYYMECI-PPCPHDFISA-N 2 0 222.332 0.735 20 0 BCADRP C[C@H]1CN(CCC[NH2+]C2CC2)C[C@@H]1C[NH3+] ZINC000923412618 644413734 /nfs/dbraw/zinc/41/37/34/644413734.db2.gz RTAIFHMDNLIRED-QWRGUYRKSA-N 2 0 211.353 0.655 20 0 BCADRP CSC[C@H](O)CN1CCCCC[C@@H]([NH3+])C1 ZINC000923410402 644410974 /nfs/dbraw/zinc/41/09/74/644410974.db2.gz GTWPJBFWAHDXBD-GHMZBOCLSA-N 2 0 232.393 0.914 20 0 BCADRP CCOCCOCCN(C)C[C@H](C)[NH3+] ZINC000923410305 644412368 /nfs/dbraw/zinc/41/23/68/644412368.db2.gz XGVKEEGJNLUQNE-JTQLQIEISA-N 2 0 204.314 0.319 20 0 BCADRP CCOCCOCC[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923414054 644416914 /nfs/dbraw/zinc/41/69/14/644416914.db2.gz ZIMVQCVORQBXIH-NEPJUHHUSA-N 2 0 230.352 0.566 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@H]3CSC[C@H]3C2)C1 ZINC000923413361 644417166 /nfs/dbraw/zinc/41/71/66/644417166.db2.gz FLZUREKSSDQJJN-OSUNSFLBSA-N 2 0 242.388 0.522 20 0 BCADRP CCOCC[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923422802 644419607 /nfs/dbraw/zinc/41/96/07/644419607.db2.gz SGNIUDSHLROUNN-AXFHLTTASA-N 2 0 230.352 0.489 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](CF)C2)C1 ZINC000923424862 644419790 /nfs/dbraw/zinc/41/97/90/644419790.db2.gz ULZIIWOSQKEKDW-NAKRPEOUSA-N 2 0 216.300 0.519 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923422368 644420206 /nfs/dbraw/zinc/42/02/06/644420206.db2.gz QMELLYIFTLZILA-MXWKQRLJSA-N 3 0 239.363 0.080 20 0 BCADRP C[C@H](O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923426885 644422404 /nfs/dbraw/zinc/42/24/04/644422404.db2.gz HRCNTADNTCHGON-RYUDHWBXSA-N 2 0 212.337 0.833 20 0 BCADRP CCOCC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000923427111 644422721 /nfs/dbraw/zinc/42/27/21/644422721.db2.gz RCVUHNPCNNDGEZ-YNEHKIRRSA-N 2 0 242.363 0.315 20 0 BCADRP CC(C)OCC[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923419807 644424310 /nfs/dbraw/zinc/42/43/10/644424310.db2.gz CXTLLOZEBCCJRV-TUAOUCFPSA-N 2 0 244.379 0.878 20 0 BCADRP C[C@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923432752 644426225 /nfs/dbraw/zinc/42/62/25/644426225.db2.gz JMKBEIGVYJGERS-RYUDHWBXSA-N 2 0 240.347 0.476 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CCOCC[NH3+] ZINC000923435760 644428316 /nfs/dbraw/zinc/42/83/16/644428316.db2.gz JKMOCHBYFMKJMZ-OUAUKWLOSA-N 2 0 215.341 0.032 20 0 BCADRP CSCC1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923446952 644431930 /nfs/dbraw/zinc/43/19/30/644431930.db2.gz IDRNTAZQOOPXJM-SRVKXCTJSA-N 2 0 244.404 0.912 20 0 BCADRP C[C@@H]1CC[C@H](CN2CC[NH2+]CC[NH2+]CC2)O1 ZINC000923460368 644436936 /nfs/dbraw/zinc/43/69/36/644436936.db2.gz MSFGPUGFOPXOOJ-VXGBXAGGSA-N 2 0 227.352 0.049 20 0 BCADRP Cl/C=C\CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459723 644443980 /nfs/dbraw/zinc/44/39/80/644443980.db2.gz MWHOYCYUSOJZEI-UPHRSURJSA-N 2 0 203.717 0.234 20 0 BCADRP Fc1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923463022 644446486 /nfs/dbraw/zinc/44/64/86/644446486.db2.gz ONMWYYHTLRNAMH-UHFFFAOYSA-N 2 0 237.322 0.821 20 0 BCADRP Cc1cnc([C@H](C)N2CC[NH2+]CC[NH2+]CC2)o1 ZINC000923460505 644447520 /nfs/dbraw/zinc/44/75/20/644447520.db2.gz UDJXQOOWCHZHEW-NSHDSACASA-N 2 0 238.335 0.539 20 0 BCADRP FC(F)C(F)(F)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923463996 644450346 /nfs/dbraw/zinc/45/03/46/644450346.db2.gz YQMVKTXTWIMGDU-UHFFFAOYSA-N 2 0 243.248 0.382 20 0 BCADRP CN1CCC[C@@H]([N@@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000923480495 644459521 /nfs/dbraw/zinc/45/95/21/644459521.db2.gz HUDMPFDJRDJLRY-GHMZBOCLSA-N 2 0 225.336 0.278 20 0 BCADRP C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923481953 644459898 /nfs/dbraw/zinc/45/98/98/644459898.db2.gz VPIWIZGAHIGXDP-QWHCGFSZSA-N 2 0 241.379 0.378 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000923480991 644460022 /nfs/dbraw/zinc/46/00/22/644460022.db2.gz NJHVRIGCIJBJKA-NEPJUHHUSA-N 3 0 211.353 0.657 20 0 BCADRP C[C@@H]1CN(CC[N@@H+]2CC[C@@H](CC[NH3+])C2)CCO1 ZINC000923482381 644460358 /nfs/dbraw/zinc/46/03/58/644460358.db2.gz ZJCCWTSYYFRCMN-CHWSQXEVSA-N 2 0 241.379 0.378 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000923482298 644460479 /nfs/dbraw/zinc/46/04/79/644460479.db2.gz YGOAALOVHXCGLD-RYUDHWBXSA-N 3 0 211.353 0.657 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923484500 644461696 /nfs/dbraw/zinc/46/16/96/644461696.db2.gz KNCOCGDWXBCYLP-LLVKDONJSA-N 2 0 228.336 0.999 20 0 BCADRP CCCCCNC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923484807 644462824 /nfs/dbraw/zinc/46/28/24/644462824.db2.gz NLOJGAJCCOOHPZ-GFCCVEGCSA-N 2 0 241.379 0.964 20 0 BCADRP CC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923490656 644464806 /nfs/dbraw/zinc/46/48/06/644464806.db2.gz FDGWIUBWIZOIFV-DCAQKATOSA-N 2 0 200.326 0.674 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492370 644466930 /nfs/dbraw/zinc/46/69/30/644466930.db2.gz NZICQUAHMANFHC-GMTAPVOTSA-N 2 0 232.393 0.627 20 0 BCADRP C[C@H]1C[N@H+](Cc2ccnn2C)CC[C@H]1C[NH3+] ZINC000923491443 644467264 /nfs/dbraw/zinc/46/72/64/644467264.db2.gz RWYPOZOWDSNGIU-QWRGUYRKSA-N 2 0 222.336 0.837 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923491891 644468485 /nfs/dbraw/zinc/46/84/85/644468485.db2.gz KHCWSSAIOAEABK-LPWJVIDDSA-N 3 0 225.380 0.759 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923497074 644469653 /nfs/dbraw/zinc/46/96/53/644469653.db2.gz KTOQZLOPUIPRMQ-GHMZBOCLSA-N 2 0 228.336 0.856 20 0 BCADRP C[C@H]1C[N@H+](Cc2ccn(C)c(=O)c2)CC[C@H]1C[NH3+] ZINC000923500418 644474096 /nfs/dbraw/zinc/47/40/96/644474096.db2.gz QEJADYRRPILGAG-AAEUAGOBSA-N 2 0 249.358 0.802 20 0 BCADRP Cn1cncc1CCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515064 644477964 /nfs/dbraw/zinc/47/79/64/644477964.db2.gz BSPGUMGMQQGQLK-QWHCGFSZSA-N 2 0 248.374 0.894 20 0 BCADRP CCOCCOCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515067 644478254 /nfs/dbraw/zinc/47/82/54/644478254.db2.gz BUKGTGGDKIGYLO-QWHCGFSZSA-N 2 0 242.363 0.581 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515989 644479530 /nfs/dbraw/zinc/47/95/30/644479530.db2.gz PVBBUKKYVODMSD-XQQFMLRXSA-N 2 0 242.363 0.315 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516488 644479855 /nfs/dbraw/zinc/47/98/55/644479855.db2.gz HKNNYQGZIGEKPQ-QWHCGFSZSA-N 3 0 223.364 0.527 20 0 BCADRP C([C@@H]1C[C@@]12CCOC2)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515984 644479910 /nfs/dbraw/zinc/47/99/10/644479910.db2.gz PMPMTSUNDROTFF-RFQIPJPRSA-N 2 0 236.359 0.954 20 0 BCADRP Cn1nccc1CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515631 644480107 /nfs/dbraw/zinc/48/01/07/644480107.db2.gz IXMIQNCAKJTUIT-NWDGAFQWSA-N 2 0 234.347 0.504 20 0 BCADRP CCOCC[C@@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923515531 644480891 /nfs/dbraw/zinc/48/08/91/644480891.db2.gz YYTWHWKJODGYAI-IJLUTSLNSA-N 2 0 230.352 0.301 20 0 BCADRP C([C@H]1CC[NH2+]C1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516802 644481387 /nfs/dbraw/zinc/48/13/87/644481387.db2.gz SOOXQVUMSJFRES-SDDRHHMPSA-N 3 0 209.337 0.137 20 0 BCADRP CCO[C@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923531449 644488581 /nfs/dbraw/zinc/48/85/81/644488581.db2.gz QHJHMUJJLNWYPL-RYUDHWBXSA-N 2 0 240.347 0.476 20 0 BCADRP [NH3+]CCOCCN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923537664 644492147 /nfs/dbraw/zinc/49/21/47/644492147.db2.gz XETKPEPAPWRNDO-GFCCVEGCSA-N 2 0 227.352 0.180 20 0 BCADRP COC[C@@H]1COCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000923558327 644498872 /nfs/dbraw/zinc/49/88/72/644498872.db2.gz QWRBEGCPAYJRBX-CHWSQXEVSA-N 2 0 242.363 0.723 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C1(C[NH+](C)C)CC1 ZINC000637863132 644551519 /nfs/dbraw/zinc/55/15/19/644551519.db2.gz UJBIMZGSROBIHL-UHFFFAOYSA-N 2 0 241.379 0.772 20 0 BCADRP CC[NH+]1CCC(NC(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000089745771 644564350 /nfs/dbraw/zinc/56/43/50/644564350.db2.gz XCQLQPRDHNQAEB-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251034492 644790137 /nfs/dbraw/zinc/79/01/37/644790137.db2.gz BAIYHLVTUVEWIK-AXFHLTTASA-N 2 0 200.326 0.817 20 0 BCADRP CC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000251115401 644794197 /nfs/dbraw/zinc/79/41/97/644794197.db2.gz VESSJJYNVOZTFD-GARJFASQSA-N 2 0 200.326 0.959 20 0 BCADRP C[C@H]1C(=O)NCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000252418956 644848920 /nfs/dbraw/zinc/84/89/20/644848920.db2.gz XLUOOJCSUMSVQS-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP CCOC[C@H](O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000252684566 644879328 /nfs/dbraw/zinc/87/93/28/644879328.db2.gz GPMVTTRRCKMRML-NEPJUHHUSA-N 2 0 232.368 0.689 20 0 BCADRP CC[S@](=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703324 644886166 /nfs/dbraw/zinc/88/61/66/644886166.db2.gz VEIAJRCNTSONLX-MKBNYLNASA-N 2 0 244.404 0.971 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000304349741 644893756 /nfs/dbraw/zinc/89/37/56/644893756.db2.gz KHXDHNYTDFPDQS-SNVBAGLBSA-N 2 0 227.352 0.570 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252795133 644907379 /nfs/dbraw/zinc/90/73/79/644907379.db2.gz ZYFJCQAREHTESE-GARJFASQSA-N 2 0 216.325 0.053 20 0 BCADRP C[C@H](CNC1=[NH+]CCN1C)C[NH+]1CCCC1 ZINC000304497996 644912428 /nfs/dbraw/zinc/91/24/28/644912428.db2.gz DOUVYKCTMTTYJH-LLVKDONJSA-N 2 0 224.352 0.609 20 0 BCADRP C[C@@H](C(=O)NC[C@H](C)[NH+]1CCCCC1)[C@H](C)[NH3+] ZINC000252841359 644913472 /nfs/dbraw/zinc/91/34/72/644913472.db2.gz CBLXUIGXNNAODH-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC[NH2+]1 ZINC000648180956 644913711 /nfs/dbraw/zinc/91/37/11/644913711.db2.gz VDIHIPOXJLRWDN-WDEREUQCSA-N 2 0 237.347 0.529 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@]1(F)CC[NH2+]C1)C1CCCC1 ZINC000841856278 645229813 /nfs/dbraw/zinc/22/98/13/645229813.db2.gz MJQFJJAGEPNJKU-PWSUYJOCSA-N 2 0 243.326 0.322 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)C1CCCC1 ZINC000841856276 645230365 /nfs/dbraw/zinc/23/03/65/645230365.db2.gz MJQFJJAGEPNJKU-JQWIXIFHSA-N 2 0 243.326 0.322 20 0 BCADRP C[C@H]1CN(C(=O)c2cccc(C[NH3+])c2)C[C@H](C)[NH2+]1 ZINC000841855322 645230653 /nfs/dbraw/zinc/23/06/53/645230653.db2.gz MWKOJEXTPJDTEL-QWRGUYRKSA-N 2 0 247.342 0.968 20 0 BCADRP CC[NH2+]CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000841857712 645230940 /nfs/dbraw/zinc/23/09/40/645230940.db2.gz WCNPSYWXEZBKBV-SNVBAGLBSA-N 2 0 213.325 0.230 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000841857711 645231405 /nfs/dbraw/zinc/23/14/05/645231405.db2.gz WCNPSYWXEZBKBV-JTQLQIEISA-N 2 0 213.325 0.230 20 0 BCADRP O[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)C1CC1 ZINC000843061309 645259818 /nfs/dbraw/zinc/25/98/18/645259818.db2.gz DYZJRRCGTCZHGG-ZDUSSCGKSA-N 2 0 242.363 0.194 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@@H](O)C1 ZINC000926553105 645276894 /nfs/dbraw/zinc/27/68/94/645276894.db2.gz YHGUMGWBGXGYQK-ORZCXNSNSA-N 2 0 210.321 0.440 20 0 BCADRP C[C@@H](C[NH3+])Nc1nc(N)[nH+]c2c1CCCC2 ZINC000843321862 645280487 /nfs/dbraw/zinc/28/04/87/645280487.db2.gz OCXTUKSOTNENOQ-ZETCQYMHSA-N 2 0 221.308 0.697 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000843508637 645294161 /nfs/dbraw/zinc/29/41/61/645294161.db2.gz SZDPDOUGGCGAAP-VWYCJHECSA-N 2 0 227.352 0.761 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000843508221 645294301 /nfs/dbraw/zinc/29/43/01/645294301.db2.gz SWFCHBGPANMMQK-SNVBAGLBSA-N 2 0 225.336 0.387 20 0 BCADRP CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000844187056 645315788 /nfs/dbraw/zinc/31/57/88/645315788.db2.gz CAMXFFRVCRKDKR-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000844187353 645316770 /nfs/dbraw/zinc/31/67/70/645316770.db2.gz GISIFHMDLBRPSI-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000844187006 645317000 /nfs/dbraw/zinc/31/70/00/645317000.db2.gz BEZPWUWLZMVXOA-AAEUAGOBSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H]1COC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926665531 645344808 /nfs/dbraw/zinc/34/48/08/645344808.db2.gz GQJZAVMSRNUYCT-NNYUYHANSA-N 2 0 212.337 0.951 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2C(=O)NCC2(C)C)C1 ZINC000926666335 645345269 /nfs/dbraw/zinc/34/52/69/645345269.db2.gz SOHSBPLTUBZVMH-AXFHLTTASA-N 2 0 239.363 0.441 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cnnn1C ZINC000926665650 645345798 /nfs/dbraw/zinc/34/57/98/645345798.db2.gz JQCGTWJHBZVIIJ-MXWKQRLJSA-N 2 0 237.351 0.806 20 0 BCADRP CN1CC[C@@H]1C[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000926894236 645481046 /nfs/dbraw/zinc/48/10/46/645481046.db2.gz LXHANOZKFNIFFA-DAAZQVBGSA-N 2 0 223.364 0.620 20 0 BCADRP CC[NH+](CC)CCCN[C@H]1C[NH2+]CCOC1 ZINC000925487797 645491669 /nfs/dbraw/zinc/49/16/69/645491669.db2.gz FTEYLYGYOHKGEN-LBPRGKRZSA-N 2 0 229.368 0.296 20 0 BCADRP C[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925488304 645509027 /nfs/dbraw/zinc/50/90/27/645509027.db2.gz RHBZHZULNJFUPY-QWRGUYRKSA-N 2 0 209.337 0.565 20 0 BCADRP CCO[C@@H](CNC(=O)[C@@H]([NH3+])C(C)C)C[NH+](C)C ZINC000927782027 645659438 /nfs/dbraw/zinc/65/94/38/645659438.db2.gz XIVAOACVEBZBNJ-QWRGUYRKSA-N 2 0 245.367 0.053 20 0 BCADRP C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC[N@@H+]1C ZINC000928430495 645746871 /nfs/dbraw/zinc/74/68/71/645746871.db2.gz XTVHPTWWEXUBIV-GWOFURMSSA-N 2 0 248.330 0.722 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877372604 645792009 /nfs/dbraw/zinc/79/20/09/645792009.db2.gz KFTQZWKWDNMWKA-HOSYDEDBSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]([NH3+])C1CCC1)C2 ZINC000877372939 645792120 /nfs/dbraw/zinc/79/21/20/645792120.db2.gz KVFCMZCFZGYFCM-DMDPSCGWSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[NH+](C)C ZINC000877370487 645792149 /nfs/dbraw/zinc/79/21/49/645792149.db2.gz BWYUWTHJMXDZDO-JBLDHEPKSA-N 2 0 225.336 0.004 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)CC[C@@H]1[NH3+] ZINC000884270019 645871461 /nfs/dbraw/zinc/87/14/61/645871461.db2.gz DVSBOQARJZHLES-WOPDTQHZSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884269488 645871998 /nfs/dbraw/zinc/87/19/98/645871998.db2.gz PCMRLXYTUPKPIC-DVVUODLYSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884271637 645872913 /nfs/dbraw/zinc/87/29/13/645872913.db2.gz IBNOMPCSEREVPX-IQJOONFLSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884271638 645873309 /nfs/dbraw/zinc/87/33/09/645873309.db2.gz IBNOMPCSEREVPX-NGZCFLSTSA-N 2 0 225.336 0.323 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@@H]1C[C@]12CCOC2 ZINC000886839579 645891333 /nfs/dbraw/zinc/89/13/33/645891333.db2.gz HWDQSDCQHRMFPZ-RYUDHWBXSA-N 2 0 212.337 0.954 20 0 BCADRP C([C@H]1CCC2(COC2)O1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929311654 646074748 /nfs/dbraw/zinc/07/47/48/646074748.db2.gz FNMACHIJGQYNSG-GRYCIOLGSA-N 2 0 238.331 0.086 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CO[C@H](C)[C@H]1C ZINC000924653490 646086826 /nfs/dbraw/zinc/08/68/26/646086826.db2.gz KMURJENCADRKFM-JHJVBQTASA-N 2 0 244.379 0.968 20 0 BCADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)(C)CO ZINC000924758010 646102777 /nfs/dbraw/zinc/10/27/77/646102777.db2.gz RZAPAHMYHQWARJ-NWDGAFQWSA-N 2 0 244.379 0.440 20 0 BCADRP C[NH+](C)CCCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000924856193 646119735 /nfs/dbraw/zinc/11/97/35/646119735.db2.gz USOGLVFUBKJYRH-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1COC[C@@H]1C ZINC000925240379 646218067 /nfs/dbraw/zinc/21/80/67/646218067.db2.gz JKWPWCXWIJNPKZ-YNEHKIRRSA-N 2 0 244.379 0.968 20 0 BCADRP COCC(COC)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000929699138 646257129 /nfs/dbraw/zinc/25/71/29/646257129.db2.gz GKZRMZUMTRNUQB-LBPRGKRZSA-N 2 0 244.379 0.921 20 0 BCADRP CC[NH+](CC)C[C@H](C)N[C@H]1C[NH2+]CCOC1 ZINC000925485397 646296962 /nfs/dbraw/zinc/29/69/62/646296962.db2.gz BWMFEYJIAREFNY-RYUDHWBXSA-N 2 0 229.368 0.295 20 0 BCADRP CC[NH+](CC)C[C@@H](C)N[C@@H]1C[NH2+]CCOC1 ZINC000925485398 646297585 /nfs/dbraw/zinc/29/75/85/646297585.db2.gz BWMFEYJIAREFNY-VXGBXAGGSA-N 2 0 229.368 0.295 20 0 BCADRP CC[NH+]1CCC(C[NH2+][C@@H]2CNCCOC2)CC1 ZINC000925489047 646298829 /nfs/dbraw/zinc/29/88/29/646298829.db2.gz XDALTQKGTRPEDI-CYBMUJFWSA-N 2 0 241.379 0.296 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)CO)C[C@H]1C ZINC000929779144 646306290 /nfs/dbraw/zinc/30/62/90/646306290.db2.gz DUYZYUMDCAWYAI-GRYCIOLGSA-N 2 0 230.352 0.144 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C[C@H](O)[C@@H](C)O)C[C@@H]1C ZINC000929779705 646309244 /nfs/dbraw/zinc/30/92/44/646309244.db2.gz HRXHZOXAYYDCMA-RNJOBUHISA-N 2 0 244.379 0.533 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(CO)CC1 ZINC000925528392 646317047 /nfs/dbraw/zinc/31/70/47/646317047.db2.gz FCCNCDMNQYCRRS-ZYANWLCNSA-N 2 0 224.348 0.864 20 0 BCADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCCNC2=O)C[C@@H]([NH3+])C1 ZINC000925534562 646320091 /nfs/dbraw/zinc/32/00/91/646320091.db2.gz MXGPDVMWYKKBPG-OUAUKWLOSA-N 2 0 239.363 0.761 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC000925552699 646328537 /nfs/dbraw/zinc/32/85/37/646328537.db2.gz LXOZQTJGWQORFX-NEPJUHHUSA-N 2 0 242.363 0.912 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCN[C@H]1C[NH2+]CCOC1 ZINC000925552797 646329266 /nfs/dbraw/zinc/32/92/66/646329266.db2.gz ZOYMCFDFMSHSPZ-OLZOCXBDSA-N 2 0 241.379 0.439 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1C[NH2+]CCOC1 ZINC000925552796 646329814 /nfs/dbraw/zinc/32/98/14/646329814.db2.gz ZOYMCFDFMSHSPZ-CHWSQXEVSA-N 2 0 241.379 0.439 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925574508 646341179 /nfs/dbraw/zinc/34/11/79/646341179.db2.gz RKKJXNIOCPCPEN-OLZOCXBDSA-N 2 0 241.379 0.439 20 0 BCADRP COCCOC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925576089 646341636 /nfs/dbraw/zinc/34/16/36/646341636.db2.gz VDBVHELJALKJDA-TUAOUCFPSA-N 2 0 242.363 0.897 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)CO ZINC000925572792 646341815 /nfs/dbraw/zinc/34/18/15/646341815.db2.gz NXSLEHWUQMIFQE-FOSCPWQOSA-N 2 0 226.364 0.935 20 0 BCADRP COC[C@H](CCO)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925610936 646359262 /nfs/dbraw/zinc/35/92/62/646359262.db2.gz IYAGVFAUNLWZIE-WOPDTQHZSA-N 2 0 244.379 0.879 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCN[C@H]1C[NH2+]CCOC1 ZINC000925624407 646369389 /nfs/dbraw/zinc/36/93/89/646369389.db2.gz XBGYIQLYFDZRRI-NEPJUHHUSA-N 2 0 227.352 0.049 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@]2(O)CCOC2)C1 ZINC000925624782 646369971 /nfs/dbraw/zinc/36/99/71/646369971.db2.gz BYBQNTIHBMFZRV-WZRBSPASSA-N 2 0 242.363 0.633 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCOCCO)C1 ZINC000925630414 646376210 /nfs/dbraw/zinc/37/62/10/646376210.db2.gz AZXNJMIBFUUCBB-NWDGAFQWSA-N 2 0 244.379 0.881 20 0 BCADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CNCCOC2)CC1 ZINC000925631822 646376633 /nfs/dbraw/zinc/37/66/33/646376633.db2.gz LFUFFJVXMWCJHI-GFCCVEGCSA-N 2 0 241.379 0.296 20 0 BCADRP CC(C)(O)CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925645442 646387658 /nfs/dbraw/zinc/38/76/58/646387658.db2.gz QVBSTHYEGZUNNM-SECBINFHSA-N 2 0 200.326 0.878 20 0 BCADRP CCN(C)C(=O)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925647607 646388113 /nfs/dbraw/zinc/38/81/13/646388113.db2.gz ZAPBPUYBBBTPPP-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000925650590 646389304 /nfs/dbraw/zinc/38/93/04/646389304.db2.gz WUVIIROGZZXNFM-AXFHLTTASA-N 2 0 212.337 0.878 20 0 BCADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C(=O)N(C)C ZINC000925656580 646393391 /nfs/dbraw/zinc/39/33/91/646393391.db2.gz FLFAZGFDYZMEGD-DCAQKATOSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(=O)N(C)C ZINC000925656577 646393474 /nfs/dbraw/zinc/39/34/74/646393474.db2.gz FLFAZGFDYZMEGD-AXFHLTTASA-N 2 0 241.379 0.959 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NCC[N@H+]1CC=CCC1 ZINC000925664618 646397850 /nfs/dbraw/zinc/39/78/50/646397850.db2.gz ZOEAMWMPSGLPAM-LBPRGKRZSA-N 2 0 223.364 0.978 20 0 BCADRP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925670864 646399971 /nfs/dbraw/zinc/39/99/71/646399971.db2.gz AFFVAOMRPGSFTH-GARJFASQSA-N 2 0 211.353 0.796 20 0 BCADRP C[C@@H](C[NH+](C)C)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925674629 646402258 /nfs/dbraw/zinc/40/22/58/646402258.db2.gz STVWZKLQAVSXGE-RJRAAQABSA-N 2 0 223.364 0.523 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000925679850 646406716 /nfs/dbraw/zinc/40/67/16/646406716.db2.gz MXGPDVMWYKKBPG-AXFHLTTASA-N 2 0 239.363 0.761 20 0 BCADRP C1CCC2(C1)[NH2+]CC[C@@H]2N[C@@H]1CC[NH2+]C1 ZINC000925690367 646410506 /nfs/dbraw/zinc/41/05/06/646410506.db2.gz JFOSFSLJGINEET-MNOVXSKESA-N 2 0 209.337 0.613 20 0 BCADRP C(C[NH2+]C1CC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000925691673 646414717 /nfs/dbraw/zinc/41/47/17/646414717.db2.gz JKXXPZCGBYYWQG-NSHDSACASA-N 2 0 209.337 0.613 20 0 BCADRP C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@@H]1CCC[NH2+]1 ZINC000925695315 646419546 /nfs/dbraw/zinc/41/95/46/646419546.db2.gz VREMMOSEHDQRCY-MCDVFOBDSA-N 2 0 221.348 0.324 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC[NH2+]CC1)[NH2+]2 ZINC000925694414 646419631 /nfs/dbraw/zinc/41/96/31/646419631.db2.gz UINSUYFGNVQRDI-MGAJPHDKSA-N 2 0 223.364 0.857 20 0 BCADRP C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@H]1CC[NH2+]C1 ZINC000925697376 646421200 /nfs/dbraw/zinc/42/12/00/646421200.db2.gz FGCNDUJXXWMURQ-RJRAAQABSA-N 2 0 221.348 0.182 20 0 BCADRP COCC[NH2+]CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925696930 646421585 /nfs/dbraw/zinc/42/15/85/646421585.db2.gz BSOFHJMOUIYPNC-WDEREUQCSA-N 2 0 227.352 0.082 20 0 BCADRP C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@H]1CC[NH2+]C1 ZINC000925697373 646422068 /nfs/dbraw/zinc/42/20/68/646422068.db2.gz FGCNDUJXXWMURQ-ASHHDVGLSA-N 2 0 221.348 0.182 20 0 BCADRP CC[NH2+][C@H](C)CN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925697840 646422839 /nfs/dbraw/zinc/42/28/39/646422839.db2.gz BANNGMLIZCETBC-MXWKQRLJSA-N 2 0 211.353 0.844 20 0 BCADRP C1=C(CN[C@H]2CC[NH2+]C23CCC3)CC[NH2+]C1 ZINC000925698989 646422951 /nfs/dbraw/zinc/42/29/51/646422951.db2.gz MIVCDBFAONRBDC-LBPRGKRZSA-N 2 0 221.348 0.780 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925699587 646423947 /nfs/dbraw/zinc/42/39/47/646423947.db2.gz KVZUFQGZNGGLMO-LZRJYULZSA-N 2 0 235.375 0.570 20 0 BCADRP CC[NH2+][C@H](C)CN[C@H]1CC[NH2+]C12CCC2 ZINC000925700863 646424597 /nfs/dbraw/zinc/42/45/97/646424597.db2.gz SUULYDDSMYALRS-MNOVXSKESA-N 2 0 211.353 0.859 20 0 BCADRP C[C@H]([NH3+])[C@H](NCC1C[NH2+]C1)c1ccccc1 ZINC000925700594 646425431 /nfs/dbraw/zinc/42/54/31/646425431.db2.gz VQZYKXMWBNDUKJ-GWCFXTLKSA-N 2 0 219.332 0.884 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000925702528 646425941 /nfs/dbraw/zinc/42/59/41/646425941.db2.gz BBLXNYAMOXEUOO-DCAQKATOSA-N 3 0 211.353 0.844 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925705076 646428488 /nfs/dbraw/zinc/42/84/88/646428488.db2.gz JDZUZKGUJWSTMM-RYUDHWBXSA-N 2 0 241.379 0.437 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925708184 646432036 /nfs/dbraw/zinc/43/20/36/646432036.db2.gz GMIMUFXLCGRTPU-DDHJBXDOSA-N 2 0 242.363 0.896 20 0 BCADRP [NH3+][C@H]1C[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C12CCC2 ZINC000925707547 646433138 /nfs/dbraw/zinc/43/31/38/646433138.db2.gz LEIRDEQSVWENIB-XWLWVQCSSA-N 2 0 227.327 0.546 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925709689 646434445 /nfs/dbraw/zinc/43/44/45/646434445.db2.gz PSSQIRDJGJWCPP-IJLUTSLNSA-N 3 0 223.364 0.988 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NCC1([NH3+])CCCC1 ZINC000925711751 646436424 /nfs/dbraw/zinc/43/64/24/646436424.db2.gz OFJIREQKUYDVRM-WDEREUQCSA-N 2 0 211.353 0.988 20 0 BCADRP C/C=C/C[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925717028 646440917 /nfs/dbraw/zinc/44/09/17/646440917.db2.gz HWJBXADSJVZEPX-CXQYWVTOSA-N 2 0 210.321 0.904 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@@H](N[C@@H]2CC[NH2+]C2)C1 ZINC000925716604 646441415 /nfs/dbraw/zinc/44/14/15/646441415.db2.gz AZVIPZCSZBGMSG-HBNTYKKESA-N 2 0 211.353 0.844 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@H]1C ZINC000925717016 646441510 /nfs/dbraw/zinc/44/15/10/646441510.db2.gz CYIONTCZLXDBHN-YERPJTIDSA-N 2 0 223.364 0.855 20 0 BCADRP C[C@@H]1CC[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C[NH2+]1 ZINC000925718645 646442559 /nfs/dbraw/zinc/44/25/59/646442559.db2.gz OYFHOUQWMHECGY-VWBGDHHKSA-N 2 0 235.375 0.713 20 0 BCADRP C[C@@H]1CC[C@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)C[NH2+]1 ZINC000925719664 646443709 /nfs/dbraw/zinc/44/37/09/646443709.db2.gz ULJUSUXCUPSKMC-KXNHARMFSA-N 2 0 223.364 0.986 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NCCOCCC[NH3+] ZINC000925719027 646443721 /nfs/dbraw/zinc/44/37/21/646443721.db2.gz PWGYQVRGVHXNSE-GHMZBOCLSA-N 2 0 215.341 0.082 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2COCCN2)C1 ZINC000925719741 646444204 /nfs/dbraw/zinc/44/42/04/646444204.db2.gz VLJHOHRYPSKUTE-UTUOFQBUSA-N 2 0 241.379 0.470 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925725588 646448188 /nfs/dbraw/zinc/44/81/88/646448188.db2.gz AUGGSVRQKIQHNQ-ZRUFSTJUSA-N 3 0 209.337 0.583 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925726555 646451808 /nfs/dbraw/zinc/45/18/08/646451808.db2.gz JLFURXDROLOGPZ-SRVKXCTJSA-N 3 0 223.364 0.988 20 0 BCADRP CC(C)([NH3+])CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925737931 646460446 /nfs/dbraw/zinc/46/04/46/646460446.db2.gz QZWGVOKPXIMHOG-SNVBAGLBSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000925769248 646470418 /nfs/dbraw/zinc/47/04/18/646470418.db2.gz ZZGFMQSELQAUNS-RNJOBUHISA-N 2 0 242.363 0.504 20 0 BCADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000925773623 646473373 /nfs/dbraw/zinc/47/33/73/646473373.db2.gz FEKXDCCQDWISDK-RNJOBUHISA-N 2 0 242.363 0.897 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]CCN1CCNC1=O ZINC000925775892 646474768 /nfs/dbraw/zinc/47/47/68/646474768.db2.gz BTJULNGFQGSVLC-SNVBAGLBSA-N 2 0 228.340 0.119 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925775600 646475104 /nfs/dbraw/zinc/47/51/04/646475104.db2.gz HSETXCCOLIKIGD-OUAUKWLOSA-N 2 0 247.333 0.819 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC[C@H]1C[NH2+]CCC1(F)F ZINC000925776887 646475824 /nfs/dbraw/zinc/47/58/24/646475824.db2.gz NKYSOKHIFBRRCB-NXEZZACHSA-N 2 0 247.333 0.961 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925778831 646476619 /nfs/dbraw/zinc/47/66/19/646476619.db2.gz FRXDOMPWOUNUDB-DBIOUOCHSA-N 2 0 209.337 0.454 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000925779946 646477016 /nfs/dbraw/zinc/47/70/16/646477016.db2.gz NZKWFHMLQPTCAF-ZWNOBZJWSA-N 2 0 223.364 0.811 20 0 BCADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1nnc2ccccn21 ZINC000925780115 646477167 /nfs/dbraw/zinc/47/71/67/646477167.db2.gz OKSIYLBNZTZOIQ-WDEREUQCSA-N 2 0 245.330 0.741 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC[C@H]1C[NH2+]CCC1(F)F ZINC000925779788 646477299 /nfs/dbraw/zinc/47/72/99/646477299.db2.gz ZXMAEOGUDFJFNO-LPEHRKFASA-N 2 0 235.322 0.947 20 0 BCADRP COCCC[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925781443 646478074 /nfs/dbraw/zinc/47/80/74/646478074.db2.gz FBJGIQOUUJGDOJ-GMTAPVOTSA-N 2 0 200.326 0.999 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925782089 646479549 /nfs/dbraw/zinc/47/95/49/646479549.db2.gz KUNALTQOHUVQLB-VWYCJHECSA-N 2 0 247.333 0.771 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000925785929 646481914 /nfs/dbraw/zinc/48/19/14/646481914.db2.gz QLIWBMFTBKWEPS-NOOOWODRSA-N 2 0 212.337 0.857 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000925786839 646482603 /nfs/dbraw/zinc/48/26/03/646482603.db2.gz VTSYPAGIHFXDBH-WYUUTHIRSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000925787042 646483728 /nfs/dbraw/zinc/48/37/28/646483728.db2.gz RYFXQNOQDUPMPL-RHYQMDGZSA-N 3 0 211.353 0.559 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925791562 646484873 /nfs/dbraw/zinc/48/48/73/646484873.db2.gz BAKZKMRCYQAMNE-UTUOFQBUSA-N 3 0 225.380 0.962 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000925798418 646486370 /nfs/dbraw/zinc/48/63/70/646486370.db2.gz WPKRXWMAZLKBLJ-FDYHWXHSSA-N 3 0 225.380 0.949 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000925796009 646487276 /nfs/dbraw/zinc/48/72/76/646487276.db2.gz JOVKYWLYAIDKEF-YVECIDJPSA-N 2 0 225.380 0.772 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCN[C@@H]1C ZINC000925797026 646487359 /nfs/dbraw/zinc/48/73/59/646487359.db2.gz SVRCGQWZYAQNKD-LPWJVIDDSA-N 2 0 225.380 0.962 20 0 BCADRP CN(C)c1cc[nH+]c(CNC2CC[NH2+]CC2)c1 ZINC000925811450 646489869 /nfs/dbraw/zinc/48/98/69/646489869.db2.gz ITZRRNXSAZXNMG-UHFFFAOYSA-N 2 0 234.347 0.989 20 0 BCADRP C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)[C@H]1CCC[NH2+]1 ZINC000925812789 646490525 /nfs/dbraw/zinc/49/05/25/646490525.db2.gz PKDORBKJVKCCLR-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NCCN1CCC([NH3+])CC1 ZINC000925816871 646492861 /nfs/dbraw/zinc/49/28/61/646492861.db2.gz KKTKGEPXFCFNQF-DGCLKSJQSA-N 2 0 240.395 0.140 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817743 646494286 /nfs/dbraw/zinc/49/42/86/646494286.db2.gz WHJHLHYALAEEAO-YPMHNXCESA-N 3 0 240.395 0.127 20 0 BCADRP CC[C@@H](CN1CCOCC1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000925825820 646498022 /nfs/dbraw/zinc/49/80/22/646498022.db2.gz IGANQHLAUGQATE-YPMHNXCESA-N 2 0 241.379 0.295 20 0 BCADRP C1=C[C@@H](C[NH2+][C@H]2CC[NH2+]C2)[C@H]2CO[C@@H]1C2 ZINC000925832730 646500848 /nfs/dbraw/zinc/50/08/48/646500848.db2.gz SOBBRUHZZYBVDF-USZNOCQGSA-N 2 0 208.305 0.529 20 0 BCADRP Cc1cc(CC[NH2+][C@H](C)[C@H]2CC[NH2+]C2)nn1C ZINC000925834769 646503193 /nfs/dbraw/zinc/50/31/93/646503193.db2.gz OTBAHELJBNIBBS-NEPJUHHUSA-N 2 0 236.363 0.859 20 0 BCADRP CCO[C@H](C[NH2+]C1CCC([NH3+])CC1)CN(C)C ZINC000925838420 646504706 /nfs/dbraw/zinc/50/47/06/646504706.db2.gz MCIBWKFAWCYVRG-WXRRBKDZSA-N 2 0 243.395 0.813 20 0 BCADRP C[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000925836987 646505416 /nfs/dbraw/zinc/50/54/16/646505416.db2.gz AQNLSNBYKHLPAD-UTUOFQBUSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842353 646508166 /nfs/dbraw/zinc/50/81/66/646508166.db2.gz LZPJRQIJNKUKLJ-CKYFFXLPSA-N 2 0 225.336 0.372 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@H]2CNOC2)C1 ZINC000925865842 646518954 /nfs/dbraw/zinc/51/89/54/646518954.db2.gz SDQQVJATFGPDNI-GUBZILKMSA-N 2 0 213.325 0.385 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NCCO[C@@H]1CCOC1 ZINC000925873490 646523528 /nfs/dbraw/zinc/52/35/28/646523528.db2.gz APVMCEAXQKPSKT-IJLUTSLNSA-N 2 0 228.336 0.380 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NCCO[C@H]1CCOC1 ZINC000925873494 646524046 /nfs/dbraw/zinc/52/40/46/646524046.db2.gz APVMCEAXQKPSKT-WOPDTQHZSA-N 2 0 228.336 0.380 20 0 BCADRP CCOCCOCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000925875196 646525798 /nfs/dbraw/zinc/52/57/98/646525798.db2.gz QITXVXDDIRMGIZ-RYUDHWBXSA-N 2 0 230.352 0.627 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCO[C@@H]2CCOC2)C12CCC2 ZINC000925876160 646526432 /nfs/dbraw/zinc/52/64/32/646526432.db2.gz XXTVAJGNHQOCNC-IJLUTSLNSA-N 2 0 240.347 0.651 20 0 BCADRP CCOCCOCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000925875197 646526611 /nfs/dbraw/zinc/52/66/11/646526611.db2.gz QITXVXDDIRMGIZ-VXGBXAGGSA-N 2 0 230.352 0.627 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCO[C@@H]2CCOC2)C1 ZINC000925876249 646526910 /nfs/dbraw/zinc/52/69/10/646526910.db2.gz ZYDRRJAIKAORHZ-GRYCIOLGSA-N 2 0 228.336 0.651 20 0 BCADRP Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)CC2 ZINC000925892418 646534058 /nfs/dbraw/zinc/53/40/58/646534058.db2.gz AOPAVQONDBDDME-GHMZBOCLSA-N 2 0 249.362 0.404 20 0 BCADRP Cn1nnc2c1C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])CC2 ZINC000925893490 646535549 /nfs/dbraw/zinc/53/55/49/646535549.db2.gz OOUQPCUCZPKVNZ-AXFHLTTASA-N 2 0 249.362 0.389 20 0 BCADRP C[C@H]([NH2+]CCOCC[NH+](C)C)C(C)(C)CO ZINC000926255467 646605773 /nfs/dbraw/zinc/60/57/73/646605773.db2.gz RKHDEFCGYLNBLM-NSHDSACASA-N 2 0 232.368 0.561 20 0 BCADRP CN(C[C@H]1CCC[N@@H+]1C)N1CC[C@@H](CC[NH3+])C1 ZINC000926383128 646630114 /nfs/dbraw/zinc/63/01/14/646630114.db2.gz QYNBQWNUMIVGKF-CHWSQXEVSA-N 2 0 240.395 0.598 20 0 BCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CC1(F)CC1 ZINC000381431275 711659571 /nfs/dbraw/zinc/65/95/71/711659571.db2.gz BOHXATVQPCLLFG-LLVKDONJSA-N 2 0 229.343 0.714 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000722149849 711712155 /nfs/dbraw/zinc/71/21/55/711712155.db2.gz OLMRIPAKNPOBNV-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP Cc1cc(CC[NH2+][C@H]2CCC[C@H]2[NH3+])nn1C ZINC000925833868 711760059 /nfs/dbraw/zinc/76/00/59/711760059.db2.gz LCMNECFGKUUFMW-NEPJUHHUSA-N 2 0 222.336 0.740 20 0 BCADRP OC[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000160686277 711809426 /nfs/dbraw/zinc/80/94/26/711809426.db2.gz PHMFYQNKNQAXHV-ZDUSSCGKSA-N 2 0 242.363 0.147 20 0 BCADRP C[N@H+](CCCCCO)C[C@H](O)C[NH+]1CCCC1 ZINC000379808448 711812074 /nfs/dbraw/zinc/81/20/74/711812074.db2.gz IINKZZYKDMVENF-ZDUSSCGKSA-N 2 0 244.379 0.538 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724177 711893494 /nfs/dbraw/zinc/89/34/94/711893494.db2.gz MTILQJLYMFVXPO-NEPJUHHUSA-N 2 0 230.352 0.445 20 0 BCADRP COC[C@H](C[N@H+](C)C[C@H](O)C[NH3+])C(C)C ZINC000721911789 711917561 /nfs/dbraw/zinc/91/75/61/711917561.db2.gz KKTWGOMPAIEYSZ-WDEREUQCSA-N 2 0 218.341 0.156 20 0 BCADRP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000702621895 712056556 /nfs/dbraw/zinc/05/65/56/712056556.db2.gz CYXQKTJINRBHFO-UPJWGTAASA-N 2 0 242.363 0.458 20 0 BCADRP CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001034884355 712098750 /nfs/dbraw/zinc/09/87/50/712098750.db2.gz GELJEKLHAHWJQL-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000707235755 712167254 /nfs/dbraw/zinc/16/72/54/712167254.db2.gz TVWVBMMUFKYNNR-FRRDWIJNSA-N 2 0 224.348 0.954 20 0 BCADRP CC1(C)CO[C@@H](C[N@@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000708338010 712188874 /nfs/dbraw/zinc/18/88/74/712188874.db2.gz QPODSSTYFZIEIV-NEPJUHHUSA-N 2 0 242.363 0.851 20 0 BCADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cn(C)cn1 ZINC000709916752 712232834 /nfs/dbraw/zinc/23/28/34/712232834.db2.gz BKLBNUMFHHWGLF-LLVKDONJSA-N 2 0 240.351 0.649 20 0 BCADRP C[N@H+](CCCCCC[NH3+])[C@@H]1CCOC1=O ZINC000710713403 712254790 /nfs/dbraw/zinc/25/47/90/712254790.db2.gz ICMCABXLBKLKHP-SNVBAGLBSA-N 2 0 214.309 0.753 20 0 BCADRP CNC(=O)CCC[N@H+](C)CCCCCC[NH3+] ZINC000710752039 712256076 /nfs/dbraw/zinc/25/60/76/712256076.db2.gz WBPRPADVUPMXAX-UHFFFAOYSA-N 2 0 229.368 0.964 20 0 BCADRP C[C@@H]1COC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000710845027 712258553 /nfs/dbraw/zinc/25/85/53/712258553.db2.gz MFVASIATTOFYQP-MNOVXSKESA-N 2 0 228.336 0.068 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711385617 712296782 /nfs/dbraw/zinc/29/67/82/712296782.db2.gz OVWHGVSYAGUPGI-GHMZBOCLSA-N 2 0 241.379 0.688 20 0 BCADRP [NH3+]C[C@@H]1CN(CCOC2CC2)CCCO1 ZINC000711777293 712328354 /nfs/dbraw/zinc/32/83/54/712328354.db2.gz QJLMIMWVCKSEOR-LLVKDONJSA-N 2 0 214.309 0.215 20 0 BCADRP CC(C)(C)CNC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479724 712334336 /nfs/dbraw/zinc/33/43/36/712334336.db2.gz SDGSEFQLCUXZQR-NSHDSACASA-N 2 0 241.379 0.819 20 0 BCADRP C[C@@H](O)C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715490358 712383917 /nfs/dbraw/zinc/38/39/17/712383917.db2.gz JHFAJDWTFHBEPE-VWYCJHECSA-N 2 0 200.326 0.830 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000390206191 712387513 /nfs/dbraw/zinc/38/75/13/712387513.db2.gz SIVNHIAANVKUEV-ZJUUUORDSA-N 2 0 213.325 0.213 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000390469218 712418721 /nfs/dbraw/zinc/41/87/21/712418721.db2.gz IPXJUHVVBALXLW-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]CCC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712668871 712439987 /nfs/dbraw/zinc/43/99/87/712439987.db2.gz NHPIMJLUJHTBNY-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP C[NH2+]CC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712668001 712440023 /nfs/dbraw/zinc/44/00/23/712440023.db2.gz HMXWCJYXMQIJSJ-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000714244297 712480171 /nfs/dbraw/zinc/48/01/71/712480171.db2.gz FVVOJEUTEDBZFF-NAKRPEOUSA-N 2 0 246.376 0.279 20 0 BCADRP CC(C)(C[NH3+])C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000714406397 712484954 /nfs/dbraw/zinc/48/49/54/712484954.db2.gz UTPMHWPRUIHFEK-NSHDSACASA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037476565 712647615 /nfs/dbraw/zinc/64/76/15/712647615.db2.gz RFVZFHMYSPLBAE-GMTAPVOTSA-N 2 0 225.336 0.467 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])NC1CC1 ZINC000221246234 712658813 /nfs/dbraw/zinc/65/88/13/712658813.db2.gz AHUSVKILQMKUIK-VIFPVBQESA-N 2 0 212.341 0.993 20 0 BCADRP C[C@@]1(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CCC[NH2+]C1 ZINC000718159286 712749882 /nfs/dbraw/zinc/74/98/82/712749882.db2.gz IOYYOKLJHAJOGY-FRRDWIJNSA-N 2 0 224.348 0.954 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000037826079 712768941 /nfs/dbraw/zinc/76/89/41/712768941.db2.gz QOLZBFAQLHOCHO-GFCCVEGCSA-N 2 0 241.379 0.770 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000038029516 712800510 /nfs/dbraw/zinc/80/05/10/712800510.db2.gz MVPOBBQROZFIMN-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]([NH2+]C[C@@H]1COCCO1)C1CC[NH+](C)CC1 ZINC000038060772 712804183 /nfs/dbraw/zinc/80/41/83/712804183.db2.gz GEFKBGWFLXDZKY-WCQYABFASA-N 2 0 242.363 0.722 20 0 BCADRP C[C@H]1[C@@H](NC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000719610846 712816529 /nfs/dbraw/zinc/81/65/29/712816529.db2.gz CMTBAYFUEKZNHA-JQWIXIFHSA-N 2 0 211.353 0.763 20 0 BCADRP CSCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000392841467 712839219 /nfs/dbraw/zinc/83/92/19/712839219.db2.gz STPDEBNSUVUTNL-MFDAYCCISA-N 2 0 212.362 0.935 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720895497 712876812 /nfs/dbraw/zinc/87/68/12/712876812.db2.gz XWGJZHOOZNRBSB-GUBZILKMSA-N 2 0 211.309 0.029 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000381381810 710630391 /nfs/dbraw/zinc/63/03/91/710630391.db2.gz KSXPDBGFSXBKMN-WISYIIOYSA-N 3 0 211.353 0.783 20 0 BCADRP Nc1ncc(C[NH2+]C2CCC([NH3+])CC2)s1 ZINC000381553366 710654672 /nfs/dbraw/zinc/65/46/72/710654672.db2.gz NLHSEVOQCWQFPV-UHFFFAOYSA-N 2 0 226.349 0.915 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000381754766 710702467 /nfs/dbraw/zinc/70/24/67/710702467.db2.gz RXMIXFFKWZRRQT-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)[C@@H]1CCC[NH2+]1 ZINC000723600044 710729066 /nfs/dbraw/zinc/72/90/66/710729066.db2.gz PKDORBKJVKCCLR-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP CCn1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)nn1 ZINC000723912404 710734482 /nfs/dbraw/zinc/73/44/82/710734482.db2.gz OQJFDYLAHPAHID-GHMZBOCLSA-N 2 0 237.351 0.715 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724922253 710749571 /nfs/dbraw/zinc/74/95/71/710749571.db2.gz PXTACMQPSNECHT-NEPJUHHUSA-N 2 0 228.336 0.333 20 0 BCADRP CC[C@H](O)CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000382046296 710768041 /nfs/dbraw/zinc/76/80/41/710768041.db2.gz KSQVGSCIMRIWMD-RJRAAQABSA-N 2 0 224.348 0.733 20 0 BCADRP C1[NH2+][C@H]2[C@H]([NH2+]C3CCOCC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000382064578 710771524 /nfs/dbraw/zinc/77/15/24/710771524.db2.gz QRGQNNUVDTVACT-XZPDDHLCSA-N 2 0 222.332 0.751 20 0 BCADRP C[NH+](C)CCONC(=O)CC[NH2+]C(C)(C)C ZINC000382081258 710773205 /nfs/dbraw/zinc/77/32/05/710773205.db2.gz IMNSINHDWWVOBY-UHFFFAOYSA-N 2 0 231.340 0.374 20 0 BCADRP C1=CO[C@H](C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000393821319 710804493 /nfs/dbraw/zinc/80/44/93/710804493.db2.gz KYEDBGWKYYWGBX-SRVKXCTJSA-N 2 0 208.305 0.830 20 0 BCADRP CC(C)[C@@](C)(CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000398579487 710910582 /nfs/dbraw/zinc/91/05/82/710910582.db2.gz SBKMEHSMCZSCIG-CHWSQXEVSA-N 2 0 244.379 0.440 20 0 BCADRP CCOCCN(CC)C[C@H](O)C[NH+]1CCCC1 ZINC000383775074 710916570 /nfs/dbraw/zinc/91/65/70/710916570.db2.gz IKZVMBWQEUTCRQ-ZDUSSCGKSA-N 2 0 244.379 0.802 20 0 BCADRP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)CC[C@@H]1C[NH3+] ZINC000133082715 710968174 /nfs/dbraw/zinc/96/81/74/710968174.db2.gz MQHSRVWNDYAFRS-GHMZBOCLSA-N 2 0 248.392 0.338 20 0 BCADRP C[C@H](CNC1=[NH+]CCN1C)C[NH+]1CCCCC1 ZINC000383565105 710982970 /nfs/dbraw/zinc/98/29/70/710982970.db2.gz AVKPPWBCFSATDA-GFCCVEGCSA-N 2 0 238.379 0.999 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)[NH+]1CCCCC1 ZINC000384809575 710996555 /nfs/dbraw/zinc/99/65/55/710996555.db2.gz FCBJGAQXSARSDB-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP COCC(COC)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000384842185 710998079 /nfs/dbraw/zinc/99/80/79/710998079.db2.gz JCYKAPQCSVAHJL-JTQLQIEISA-N 2 0 230.352 0.707 20 0 BCADRP COCCOCCOCCN1C[C@@H]([NH3+])C[C@@H]1C ZINC000385241368 711008348 /nfs/dbraw/zinc/00/83/48/711008348.db2.gz LQNFGDJZWQYXMU-RYUDHWBXSA-N 2 0 246.351 0.088 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@H](O)COC)CC[C@@H]1[NH3+] ZINC000147531176 711014672 /nfs/dbraw/zinc/01/46/72/711014672.db2.gz BXYXYMQGJFHTTF-VWYCJHECSA-N 2 0 216.325 0.053 20 0 BCADRP C[C@H](Cn1ccnc1)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000385592549 711014702 /nfs/dbraw/zinc/01/47/02/711014702.db2.gz IXTCZSXDUKYOKK-WFQJECDVSA-N 2 0 246.358 0.858 20 0 BCADRP C[C@H](CNC1=[NH+]CCCN1C)[NH+]1CCCC1 ZINC000386598790 711034001 /nfs/dbraw/zinc/03/40/01/711034001.db2.gz UEINEQNYVUAWMS-LLVKDONJSA-N 2 0 224.352 0.752 20 0 BCADRP C[C@@H]1CC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000389219418 711072879 /nfs/dbraw/zinc/07/28/79/711072879.db2.gz MQKFFABZYLSIKI-MNOVXSKESA-N 2 0 200.326 0.953 20 0 BCADRP C[C@H]1C[NH+]=C(NC[C@H]2CCC[N@H+](C)C2)N1 ZINC000389312924 711075854 /nfs/dbraw/zinc/07/58/54/711075854.db2.gz CMMAYJBHLROIND-VHSXEESVSA-N 2 0 210.325 0.266 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)CCCCCC[NH3+] ZINC000390504212 711121554 /nfs/dbraw/zinc/12/15/54/711121554.db2.gz WEYNAEYCNLOFMG-JTQLQIEISA-N 2 0 215.341 0.607 20 0 BCADRP C[N@@H+]1CCN(C[C@@H]([NH3+])CC(F)F)CC1(C)C ZINC000390624256 711129425 /nfs/dbraw/zinc/12/94/25/711129425.db2.gz GSVGQZNXUHCBBA-VIFPVBQESA-N 2 0 235.322 0.995 20 0 BCADRP C[N@@H+]1CCCN(CCC[NH2+]C2CSC2)CC1 ZINC000390667192 711131139 /nfs/dbraw/zinc/13/11/39/711131139.db2.gz UPBDGYHCBXKAER-UHFFFAOYSA-N 2 0 243.420 0.719 20 0 BCADRP c1cn(CCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cn1 ZINC000392895708 711153233 /nfs/dbraw/zinc/15/32/33/711153233.db2.gz XFDFQPIWKLYIHX-MEBFFEOJSA-N 2 0 246.358 0.859 20 0 BCADRP c1cn(CCC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cn1 ZINC000392895714 711154053 /nfs/dbraw/zinc/15/40/53/711154053.db2.gz XFDFQPIWKLYIHX-YHQUGGNUSA-N 2 0 246.358 0.859 20 0 BCADRP CC[NH2+]CC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000393789217 711174469 /nfs/dbraw/zinc/17/44/69/711174469.db2.gz KJEDEKXOHJZJAY-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000393825544 711176676 /nfs/dbraw/zinc/17/66/76/711176676.db2.gz GHNZJABTGXUITH-XQQFMLRXSA-N 2 0 242.363 0.445 20 0 BCADRP COCCOCCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000393929282 711179664 /nfs/dbraw/zinc/17/96/64/711179664.db2.gz GQPLDQPMGWYBQX-NWBUJAPZSA-N 2 0 240.347 0.235 20 0 BCADRP C[C@H](CCCO)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000394984682 711199964 /nfs/dbraw/zinc/19/99/64/711199964.db2.gz HRPJKDZABVABLX-WFQJECDVSA-N 2 0 238.375 0.981 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1CCC[N@@H+]1C ZINC000396604260 711358649 /nfs/dbraw/zinc/35/86/49/711358649.db2.gz OIMJNYSNROIZNQ-QJPTWQEYSA-N 2 0 211.353 0.811 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NCC1=CC[N@H+](C)CC1 ZINC000396702137 711366966 /nfs/dbraw/zinc/36/69/66/711366966.db2.gz LJNKUTHMORHCIT-DGCLKSJQSA-N 2 0 223.364 0.978 20 0 BCADRP CNC(=O)CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000398308013 711408413 /nfs/dbraw/zinc/40/84/13/711408413.db2.gz JRSKJGHVBDOKJP-CXWACVEQSA-N 2 0 237.347 0.099 20 0 BCADRP C[C@H]1COCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000399332189 711427829 /nfs/dbraw/zinc/42/78/29/711427829.db2.gz VNZVYPBNZHOISE-VXGBXAGGSA-N 2 0 212.337 0.954 20 0 BCADRP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]CCC[NH+](C)C ZINC000381213433 710609597 /nfs/dbraw/zinc/60/95/97/710609597.db2.gz FLQNOMLHYPCIOD-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000381381821 710630776 /nfs/dbraw/zinc/63/07/76/710630776.db2.gz KSXPDBGFSXBKMN-WYUUTHIRSA-N 3 0 211.353 0.783 20 0 BCADRP COCC(COC)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000385008639 711003325 /nfs/dbraw/zinc/00/33/25/711003325.db2.gz XGSRWIZJBSYNFU-DRZSPHRISA-N 2 0 242.363 0.707 20 0 BCADRP C[C@@H](CNC1=[NH+]CCCN1C)C[NH+]1CCCC1 ZINC000386558508 711032847 /nfs/dbraw/zinc/03/28/47/711032847.db2.gz ILYQCGLLNKONDW-LBPRGKRZSA-N 2 0 238.379 0.999 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC2=[NH+]CCCN2C)C1 ZINC000386540285 711032974 /nfs/dbraw/zinc/03/29/74/711032974.db2.gz DCIDIUWANRXAAS-LBPRGKRZSA-N 2 0 238.379 0.998 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC1=[NH+]CCCN1C ZINC000386476480 711029915 /nfs/dbraw/zinc/02/99/15/711029915.db2.gz RHZKZVRFAJBLIY-LLVKDONJSA-N 2 0 226.368 0.998 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC1=[NH+]CCCN1C ZINC000386476487 711030243 /nfs/dbraw/zinc/03/02/43/711030243.db2.gz RHZKZVRFAJBLIY-NSHDSACASA-N 2 0 226.368 0.998 20 0 BCADRP C1=CC[N@H+](CCN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000392264827 711144652 /nfs/dbraw/zinc/14/46/52/711144652.db2.gz VJRSWXKUKLWACF-BTFPBAQTSA-N 2 0 247.386 0.834 20 0 BCADRP OC1(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCC1 ZINC000397732497 711390717 /nfs/dbraw/zinc/39/07/17/711390717.db2.gz WWLUTTQEOBFFQW-OBPIAQAESA-N 2 0 236.359 0.878 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000304396428 711452215 /nfs/dbraw/zinc/45/22/15/711452215.db2.gz VAEMMGPDSCLZHG-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712674897 711474592 /nfs/dbraw/zinc/47/45/92/711474592.db2.gz VDKLPHSUNSIYQZ-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP CCCCCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030973 711481634 /nfs/dbraw/zinc/48/16/34/711481634.db2.gz DWXHEQDWOLVNSF-UHFFFAOYSA-N 2 0 241.379 0.930 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723699845 711534782 /nfs/dbraw/zinc/53/47/82/711534782.db2.gz VTRWEZCHTZFPCX-WDEREUQCSA-N 2 0 216.325 0.055 20 0 BCADRP Cc1noc(CCC[N@@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000723709066 711535648 /nfs/dbraw/zinc/53/56/48/711535648.db2.gz LONSKWAJHORUNE-LLVKDONJSA-N 2 0 238.335 0.981 20 0 BCADRP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723713673 711536078 /nfs/dbraw/zinc/53/60/78/711536078.db2.gz XGUVZBBMJRHKJE-MNOVXSKESA-N 2 0 228.336 0.999 20 0 BCADRP COC[C@@H](C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)OC ZINC000723891381 711543713 /nfs/dbraw/zinc/54/37/13/711543713.db2.gz NVZJSCUSUBCAQH-IJLUTSLNSA-N 2 0 230.352 0.565 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000892099604 711574817 /nfs/dbraw/zinc/57/48/17/711574817.db2.gz SRZACYQJWXCYPG-BBBLOLIVSA-N 2 0 228.340 0.116 20 0 BCADRP [NH3+]C1CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000724555740 711589628 /nfs/dbraw/zinc/58/96/28/711589628.db2.gz DVBZEUMGLMQEOW-ZMLRMANQSA-N 2 0 226.320 0.213 20 0 BCADRP C[N@H+](CCC[NH3+])C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724555112 711589712 /nfs/dbraw/zinc/58/97/12/711589712.db2.gz BLYPHTMUTJKCGC-OUAUKWLOSA-N 2 0 214.309 0.071 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724562560 711592150 /nfs/dbraw/zinc/59/21/50/711592150.db2.gz HJEZSAGBXAEUFO-FHUSYTEZSA-N 2 0 240.347 0.602 20 0 BCADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000724564427 711592816 /nfs/dbraw/zinc/59/28/16/711592816.db2.gz TUATZSLFDVGVFZ-ZDEQEGDKSA-N 2 0 240.347 0.461 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC[C@H]1[NH3+] ZINC000724564917 711592938 /nfs/dbraw/zinc/59/29/38/711592938.db2.gz WLBXHMPYPIPPTJ-LBELIVKGSA-N 2 0 240.347 0.459 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO[C@@H]1CCOC1)C2 ZINC000724960434 711634517 /nfs/dbraw/zinc/63/45/17/711634517.db2.gz NSNVNGNAASWKOY-QNWHQSFQSA-N 2 0 240.347 0.604 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724957230 711634625 /nfs/dbraw/zinc/63/46/25/711634625.db2.gz VITXSTSOVCRUPH-NEPJUHHUSA-N 2 0 228.336 0.463 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NCC1C[NH2+]C1 ZINC000309775528 711689731 /nfs/dbraw/zinc/68/97/31/711689731.db2.gz LNWLFOYXQGNZKK-UHFFFAOYSA-N 2 0 213.325 0.087 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335269859 711721270 /nfs/dbraw/zinc/72/12/70/711721270.db2.gz KQTMXPQLEASBCC-OLZOCXBDSA-N 2 0 223.364 0.814 20 0 BCADRP CO[C@H]1COCC[C@@H]1[N@H+](C)CC1CC[NH2+]CC1 ZINC000310171017 711750158 /nfs/dbraw/zinc/75/01/58/711750158.db2.gz PRQIJQPBFCKZPZ-STQMWFEESA-N 2 0 242.363 0.722 20 0 BCADRP CN(C(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1)C1CC1 ZINC000160038091 711805533 /nfs/dbraw/zinc/80/55/33/711805533.db2.gz XNDKNNJGTIPQGS-JTQLQIEISA-N 2 0 225.336 0.278 20 0 BCADRP C[NH+]1CCC(C[NH2+]CCNC(=O)C2CC2)CC1 ZINC000160712377 711809752 /nfs/dbraw/zinc/80/97/52/711809752.db2.gz JKUWYPZBKNSBCJ-UHFFFAOYSA-N 2 0 239.363 0.444 20 0 BCADRP CO[C@H]1C[C@@H](C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000721917930 711919684 /nfs/dbraw/zinc/91/96/84/711919684.db2.gz CLLOSTVPNDJUET-FIQHERPVSA-N 2 0 210.321 0.563 20 0 BCADRP COC[C@@H](C[N@@H+]1CCCO[C@@H](C[NH3+])C1)C(C)C ZINC000721918709 711920177 /nfs/dbraw/zinc/92/01/77/711920177.db2.gz LLZOGXYBOYVJDF-OLZOCXBDSA-N 2 0 244.379 0.955 20 0 BCADRP CC(C)C1(O)C[NH+](CCCn2ccnc2)C1 ZINC000084376660 711924787 /nfs/dbraw/zinc/92/47/87/711924787.db2.gz YDVLPJJJRNSFAL-UHFFFAOYSA-N 2 0 223.320 0.976 20 0 BCADRP CN1CCOC[C@@H]1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000700176439 711987359 /nfs/dbraw/zinc/98/73/59/711987359.db2.gz MRZIUFRGKRDDNV-SDDRHHMPSA-N 2 0 239.363 0.177 20 0 BCADRP CC(=O)N[C@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000700403925 711992435 /nfs/dbraw/zinc/99/24/35/711992435.db2.gz QJBPHKPCFFMCKJ-STQMWFEESA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033660922 712011657 /nfs/dbraw/zinc/01/16/57/712011657.db2.gz JKYQINTUBTVIKB-NWDGAFQWSA-N 2 0 239.363 0.491 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CCN(C)C(=O)OC ZINC000701924275 712033897 /nfs/dbraw/zinc/03/38/97/712033897.db2.gz LQOZRIRPGKWGID-SNVBAGLBSA-N 2 0 247.339 0.028 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H]1CCCOC1)C2 ZINC000702075966 712038091 /nfs/dbraw/zinc/03/80/91/712038091.db2.gz IYMNINOVINCFDY-FRRDWIJNSA-N 2 0 224.348 0.954 20 0 BCADRP [NH3+]C1CC(C(=O)NCC[NH+]2CCCCCC2)C1 ZINC000703487985 712076497 /nfs/dbraw/zinc/07/64/97/712076497.db2.gz QEOFWYJTKMPOFP-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C1CC([NH3+])C1 ZINC000703585116 712080043 /nfs/dbraw/zinc/08/00/43/712080043.db2.gz XJTKKYPNZDUXCI-IDKOKCKLSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCc1cn[nH]c1)C2 ZINC000703561253 712080535 /nfs/dbraw/zinc/08/05/35/712080535.db2.gz HPXAPTZALRYOSK-NWDGAFQWSA-N 2 0 220.320 0.494 20 0 BCADRP CC(C)OC[C@H](O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000704570542 712112049 /nfs/dbraw/zinc/11/20/49/712112049.db2.gz CGBJLEHJRSFCSU-LLVKDONJSA-N 2 0 230.352 0.586 20 0 BCADRP COCC1([N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000706309462 712143385 /nfs/dbraw/zinc/14/33/85/712143385.db2.gz HPTJSLWFAWCYSH-MNOVXSKESA-N 2 0 212.337 0.953 20 0 BCADRP C[N@H+]1C[C@H]2CN(C[C@H]([NH3+])CC(F)F)C[C@H]2C1 ZINC000706993853 712164048 /nfs/dbraw/zinc/16/40/48/712164048.db2.gz OECJODIXYSBAGB-KXUCPTDWSA-N 2 0 233.306 0.462 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CC(C)(C)CO1 ZINC000708369351 712191205 /nfs/dbraw/zinc/19/12/05/712191205.db2.gz VJYKDFVRNGRQNQ-NSHDSACASA-N 2 0 230.352 0.709 20 0 BCADRP Cc1cc(N2CC[C@@H](C[NH+](C)C)C2)nc(N)[nH+]1 ZINC000708458406 712194768 /nfs/dbraw/zinc/19/47/68/712194768.db2.gz MYVXPGNCPWZEMB-JTQLQIEISA-N 2 0 235.335 0.755 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC000708712986 712197749 /nfs/dbraw/zinc/19/77/49/712197749.db2.gz NFNADEATVADJBE-JHJVBQTASA-N 2 0 244.379 0.533 20 0 BCADRP CN1CC[C@H]([N@H+](C)CCCCCC[NH3+])C1=O ZINC000708522867 712212226 /nfs/dbraw/zinc/21/22/26/712212226.db2.gz KILJVTNEZVOCFH-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP O[C@@H]1CCCC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000710691370 712254363 /nfs/dbraw/zinc/25/43/63/712254363.db2.gz UJEDKOMDFFPHFN-QUTCXQLSSA-N 2 0 236.359 0.876 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])CC1)[NH+](C)C ZINC000710838704 712257972 /nfs/dbraw/zinc/25/79/72/712257972.db2.gz LSWJDLNXASQXCD-GMTAPVOTSA-N 2 0 227.352 0.570 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1)C1CC1 ZINC000710877644 712260906 /nfs/dbraw/zinc/26/09/06/712260906.db2.gz VCNASCVDFRSMKX-XYPYZODXSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710641232 712264504 /nfs/dbraw/zinc/26/45/04/712264504.db2.gz GWGZWULUZRWSFI-NSHDSACASA-N 2 0 230.352 0.146 20 0 BCADRP CO[C@@H](C)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710648411 712264807 /nfs/dbraw/zinc/26/48/07/712264807.db2.gz HVKDHIZUCOYSLO-NSHDSACASA-N 2 0 230.352 0.410 20 0 BCADRP C[NH+](C)CC1(O)CC[NH+](CCCCO)CC1 ZINC000710648564 712264946 /nfs/dbraw/zinc/26/49/46/712264946.db2.gz JBPVBCYFTYDGDN-UHFFFAOYSA-N 2 0 230.352 0.147 20 0 BCADRP C[NH+](C)CC1(O)CC[NH+](Cc2cccnc2)CC1 ZINC000710672513 712265617 /nfs/dbraw/zinc/26/56/17/712265617.db2.gz RWWSKJOZJUOAML-UHFFFAOYSA-N 2 0 249.358 0.970 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711254225 712291157 /nfs/dbraw/zinc/29/11/57/712291157.db2.gz WEHXYRUTYXSPMF-JTQLQIEISA-N 2 0 227.352 0.300 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000711308645 712294116 /nfs/dbraw/zinc/29/41/16/712294116.db2.gz AWDXRIUKKSEMHF-GHMZBOCLSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]1C[NH2+]CC1(C)C)[NH+](C)C ZINC000711383922 712297763 /nfs/dbraw/zinc/29/77/63/712297763.db2.gz FYXWGIPXUSDMAL-MNOVXSKESA-N 2 0 241.379 0.688 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711385020 712298023 /nfs/dbraw/zinc/29/80/23/712298023.db2.gz KSTFGJQREGIHBA-JTQLQIEISA-N 2 0 241.379 0.688 20 0 BCADRP FC[C@H]1CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000711452706 712301629 /nfs/dbraw/zinc/30/16/29/712301629.db2.gz HCCWOYKTGUSNQL-LLVKDONJSA-N 2 0 215.316 0.183 20 0 BCADRP FC[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000711454074 712304043 /nfs/dbraw/zinc/30/40/43/712304043.db2.gz MKTZCSNJYGBCNV-WDEREUQCSA-N 2 0 228.311 0.799 20 0 BCADRP C[N@H+](CCOCC[NH3+])CCOC1CC1 ZINC000711785881 712329904 /nfs/dbraw/zinc/32/99/04/712329904.db2.gz LFVURLFIABBSFI-UHFFFAOYSA-N 2 0 202.298 0.073 20 0 BCADRP Cn1cncc1CC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479157 712334522 /nfs/dbraw/zinc/33/45/22/712334522.db2.gz NAFRNGOPTFTEPT-LLVKDONJSA-N 2 0 222.336 0.633 20 0 BCADRP CC[NH+]1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000379557530 712388099 /nfs/dbraw/zinc/38/80/99/712388099.db2.gz CEZLJWFXYAMLLX-ZDUSSCGKSA-N 2 0 241.379 0.081 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712621243 712438417 /nfs/dbraw/zinc/43/84/17/712438417.db2.gz HCJDJSUGVVPXOY-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712674894 712440245 /nfs/dbraw/zinc/44/02/45/712440245.db2.gz VDKLPHSUNSIYQZ-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]CCN(C)C(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000712989958 712450758 /nfs/dbraw/zinc/45/07/58/712450758.db2.gz NCLIRIVWXYNABS-SNVBAGLBSA-N 2 0 229.368 0.674 20 0 BCADRP COC[C@@H](O)C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000713364991 712459770 /nfs/dbraw/zinc/45/97/70/712459770.db2.gz VUQGPDBBRQAWMO-NSHDSACASA-N 2 0 230.352 0.587 20 0 BCADRP CCn1cc(C[N@H+](C)C2CCC([NH3+])CC2)nn1 ZINC000714430285 712486271 /nfs/dbraw/zinc/48/62/71/712486271.db2.gz UPCPNJQXWBUKOY-UHFFFAOYSA-N 2 0 237.351 1.000 20 0 BCADRP CCNC(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714433874 712486703 /nfs/dbraw/zinc/48/67/03/712486703.db2.gz ALCKHWNHBGPRPR-UHFFFAOYSA-N 2 0 241.379 0.819 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1CCOC1=O)C2 ZINC000714579742 712487800 /nfs/dbraw/zinc/48/78/00/712487800.db2.gz UIGXZQULFPODAY-DCAQKATOSA-N 2 0 239.319 0.250 20 0 BCADRP C[C@@H]1C[N@H+](CCN2CCOC2=O)CC[C@@H]1C[NH3+] ZINC000714537971 712494137 /nfs/dbraw/zinc/49/41/37/712494137.db2.gz WUDJOMJKBGNLHG-GHMZBOCLSA-N 2 0 241.335 0.355 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000715010023 712504290 /nfs/dbraw/zinc/50/42/90/712504290.db2.gz JWJJLOUAQSJYCH-TUAOUCFPSA-N 2 0 228.336 0.068 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1 ZINC000715447824 712519472 /nfs/dbraw/zinc/51/94/72/712519472.db2.gz NBLPCPIURHQAND-SPJNRGJMSA-N 2 0 202.248 0.921 20 0 BCADRP COC[C@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715580828 712527078 /nfs/dbraw/zinc/52/70/78/712527078.db2.gz NHRHBTHOSHOVPX-OTTFEQOBSA-N 2 0 244.379 0.846 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000715578488 712529335 /nfs/dbraw/zinc/52/93/35/712529335.db2.gz JDRYFADFFKUTHJ-FIQHERPVSA-N 2 0 239.363 0.713 20 0 BCADRP C[N@H+](CCCF)CCC(=O)N1CC[NH2+]CC1 ZINC000716807180 712575943 /nfs/dbraw/zinc/57/59/43/712575943.db2.gz AYAXGDMXRBCXES-UHFFFAOYSA-N 2 0 231.315 0.100 20 0 BCADRP CC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)OCCO1 ZINC000716903928 712581389 /nfs/dbraw/zinc/58/13/89/712581389.db2.gz SJALEYQAKKXMGC-SDDRHHMPSA-N 2 0 240.347 0.727 20 0 BCADRP CC[NH2+]CC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000818610038 712590150 /nfs/dbraw/zinc/59/01/50/712590150.db2.gz VICADTFEORZJEA-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000818610785 712590207 /nfs/dbraw/zinc/59/02/07/712590207.db2.gz VLJFFZKMMBRXNF-GHMZBOCLSA-N 2 0 227.352 0.395 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)CC[NH2+]CC2CC2)C1 ZINC000717172469 712638155 /nfs/dbraw/zinc/63/81/55/712638155.db2.gz WHRIOGMHIRNQIW-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP CC[NH2+]CC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132946241 712639725 /nfs/dbraw/zinc/63/97/25/712639725.db2.gz KGHUYPSDLAIZHM-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)C(=O)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000380002476 712651704 /nfs/dbraw/zinc/65/17/04/712651704.db2.gz KKRFNNLBLJTPML-GHMZBOCLSA-N 2 0 210.321 0.753 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000380026408 712683218 /nfs/dbraw/zinc/68/32/18/712683218.db2.gz FKKYFQFSMSWCKZ-RYUDHWBXSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H](C[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1)C[NH+](C)C ZINC000380093654 712685687 /nfs/dbraw/zinc/68/56/87/712685687.db2.gz VMXMZWFUUZZCKZ-WOPDTQHZSA-N 2 0 241.379 0.831 20 0 BCADRP CC1(C)[C@H](O)CC[N@@H+]1C[C@@H](O)CN1CCCC1 ZINC000380162659 712703223 /nfs/dbraw/zinc/70/32/23/712703223.db2.gz VEXKYWJVCNJTSW-NWDGAFQWSA-N 2 0 242.363 0.288 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000384949633 712707120 /nfs/dbraw/zinc/70/71/20/712707120.db2.gz LMIUOGIZSBABAY-JQWIXIFHSA-N 2 0 228.336 0.332 20 0 BCADRP COCC(COC)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000384949418 712707143 /nfs/dbraw/zinc/70/71/43/712707143.db2.gz LKMTTYAFWCTEJN-JTQLQIEISA-N 2 0 216.325 0.319 20 0 BCADRP CC(=O)N[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717977694 712734727 /nfs/dbraw/zinc/73/47/27/712734727.db2.gz ZFBMCEONZGYGLS-WOPDTQHZSA-N 2 0 225.336 0.324 20 0 BCADRP CCC[N@H+](C[C@@H](C)O)C1CC[NH2+]CC1 ZINC000037688245 712738722 /nfs/dbraw/zinc/73/87/22/712738722.db2.gz QXOPBOFXLRRCOU-SNVBAGLBSA-N 2 0 200.326 0.831 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]C1CC(CC(N)=O)C1 ZINC000718422524 712760563 /nfs/dbraw/zinc/76/05/63/712760563.db2.gz WOCVAAFIWHKLHE-KPPDAEKUSA-N 2 0 227.352 0.748 20 0 BCADRP NC(=O)CC1CC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000718461527 712763811 /nfs/dbraw/zinc/76/38/11/712763811.db2.gz UWINZVIEFKVETK-POSLAHMBSA-N 2 0 239.363 0.748 20 0 BCADRP CC[NH+](CC)CC1CCN(C(=O)C[NH3+])CC1 ZINC000037826215 712768836 /nfs/dbraw/zinc/76/88/36/712768836.db2.gz QSMOAKNLWOTSKA-UHFFFAOYSA-N 2 0 227.352 0.526 20 0 BCADRP C[C@H]1[C@H](NC(=O)CC[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC000719477868 712808363 /nfs/dbraw/zinc/80/83/63/712808363.db2.gz YEHIJRDAXVDQPU-WDEREUQCSA-N 2 0 241.379 0.973 20 0 BCADRP C[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000720416470 712841001 /nfs/dbraw/zinc/84/10/01/712841001.db2.gz PZYJQSNTCWNGDE-VXGBXAGGSA-N 2 0 240.347 0.618 20 0 BCADRP C[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000720416465 712841015 /nfs/dbraw/zinc/84/10/15/712841015.db2.gz PZYJQSNTCWNGDE-NEPJUHHUSA-N 2 0 240.347 0.618 20 0 BCADRP Cc1cc(C[N@H+](C)CCOCC[NH3+])c(C)nn1 ZINC000720522442 712849026 /nfs/dbraw/zinc/84/90/26/712849026.db2.gz LEVHRAFZTRZVRI-UHFFFAOYSA-N 2 0 238.335 0.501 20 0 BCADRP C[NH2+]CCN(C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000720748888 712863822 /nfs/dbraw/zinc/86/38/22/712863822.db2.gz QZCZBEMGFPVULW-CYBMUJFWSA-N 2 0 243.395 0.373 20 0 BCADRP COC[C@@H](C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)OC ZINC000720839558 712869379 /nfs/dbraw/zinc/86/93/79/712869379.db2.gz POFOOTQOXIWOOL-QJPTWQEYSA-N 2 0 228.336 0.189 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C1([NH3+])CC1 ZINC000720884547 712874320 /nfs/dbraw/zinc/87/43/20/712874320.db2.gz CCRCQZDKMZPGLD-NXEZZACHSA-N 2 0 223.320 0.173 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720887331 712874421 /nfs/dbraw/zinc/87/44/21/712874421.db2.gz IGLRSSRZABZGIK-TUAOUCFPSA-N 2 0 239.363 0.680 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CC[NH3+] ZINC000720886020 712874427 /nfs/dbraw/zinc/87/44/27/712874427.db2.gz GSBVTDUHXIRHII-ZJUUUORDSA-N 2 0 211.309 0.030 20 0 BCADRP C[NH2+]CCCN1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720899765 712875143 /nfs/dbraw/zinc/87/51/43/712875143.db2.gz MVQMXFBRXHAOHS-RYUDHWBXSA-N 2 0 211.353 0.764 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000720901456 712875740 /nfs/dbraw/zinc/87/57/40/712875740.db2.gz SALRTASNGGPNAT-FIQHERPVSA-N 2 0 237.347 0.419 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720904075 712876181 /nfs/dbraw/zinc/87/61/81/712876181.db2.gz WGWKBLQNRYCSSF-VWYCJHECSA-N 2 0 225.336 0.419 20 0 BCADRP C([C@H]1CCOC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720932980 712879970 /nfs/dbraw/zinc/87/99/70/712879970.db2.gz YVPIOFHKKYITSK-WOPDTQHZSA-N 2 0 210.321 0.849 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720963268 712883548 /nfs/dbraw/zinc/88/35/48/712883548.db2.gz SRMCYHGQBVNWSW-BJDJZHNGSA-N 2 0 212.337 0.864 20 0 BCADRP C[NH+](C)CC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000721054066 712888874 /nfs/dbraw/zinc/88/88/74/712888874.db2.gz JIPZMOPVNYZEKE-ZDUSSCGKSA-N 2 0 247.342 0.379 20 0 BCADRP C[N@@H+]1CCO[C@H]2CN(c3cc(N)cc[nH+]3)C[C@@H]21 ZINC001164670437 719369770 /nfs/dbraw/zinc/36/97/70/719369770.db2.gz UUTOJRJBDUTJJM-QWRGUYRKSA-N 2 0 234.303 0.183 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000649276636 398135480 /nfs/dbraw/zinc/13/54/80/398135480.db2.gz UUEBTDGIKXSCPI-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CCNC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000418328679 192025388 /nfs/dbraw/zinc/02/53/88/192025388.db2.gz NTTLOSRNQJWLLW-UHFFFAOYSA-N 2 0 242.367 0.332 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000045108040 168321255 /nfs/dbraw/zinc/32/12/55/168321255.db2.gz UMZMNCOKOJVDNC-JTQLQIEISA-N 2 0 229.368 0.818 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364573397 168324121 /nfs/dbraw/zinc/32/41/21/168324121.db2.gz BKCFAPNFSCSHNI-PWSUYJOCSA-N 2 0 239.363 0.620 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NCC[C@@H](C)[NH3+] ZINC000309817452 168321506 /nfs/dbraw/zinc/32/15/06/168321506.db2.gz VPFJJCBJWUDQQM-SECBINFHSA-N 2 0 215.341 0.605 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000337545511 168321755 /nfs/dbraw/zinc/32/17/55/168321755.db2.gz LIBKYCUVLWXPGZ-SNVBAGLBSA-N 2 0 229.368 0.851 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000257694895 349471517 /nfs/dbraw/zinc/47/15/17/349471517.db2.gz MTDUXCFWSOGOIC-GARJFASQSA-N 2 0 225.336 0.230 20 0 BCADRP CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000649322652 398144749 /nfs/dbraw/zinc/14/47/49/398144749.db2.gz CGTOQKLCNGMNFM-WUHRBBMRSA-N 2 0 249.358 0.147 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000153238875 136212831 /nfs/dbraw/zinc/21/28/31/136212831.db2.gz PXVOZVYZVUQVSD-PHIMTYICSA-N 2 0 227.352 0.535 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000257754610 349483634 /nfs/dbraw/zinc/48/36/34/349483634.db2.gz ZONBYVUMSSRKNI-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649342313 398158957 /nfs/dbraw/zinc/15/89/57/398158957.db2.gz ZGBSOAWBWWLOMD-KKOKHZNYSA-N 2 0 237.347 0.195 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062893800 349495254 /nfs/dbraw/zinc/49/52/54/349495254.db2.gz PSZPALVKEDMEFM-WCQYABFASA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[N@@H+]1C ZINC000649333371 398150030 /nfs/dbraw/zinc/15/00/30/398150030.db2.gz PHKGJGFXJPZLFN-ZIQFBCGOSA-N 2 0 237.347 0.336 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000649335045 398152290 /nfs/dbraw/zinc/15/22/90/398152290.db2.gz ARIVPEUHHDRKNJ-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000602324733 349504888 /nfs/dbraw/zinc/50/48/88/349504888.db2.gz LFBVAKLYHNCTSD-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@@H](CCO)[N@H+](C)CCCn1ccnc1 ZINC000649870317 398156375 /nfs/dbraw/zinc/15/63/75/398156375.db2.gz ZRSJWWSCXKPPSJ-NSHDSACASA-N 2 0 211.309 0.976 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CC1(C[NH3+])CC1 ZINC000422905942 398157156 /nfs/dbraw/zinc/15/71/56/398157156.db2.gz ZYYBLTWHYWFUAN-LLVKDONJSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000649341516 398157836 /nfs/dbraw/zinc/15/78/36/398157836.db2.gz CJGWFILFTUGRTA-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)[NH+](C)C ZINC000649355741 398168043 /nfs/dbraw/zinc/16/80/43/398168043.db2.gz FKIMDGKFLCIYIK-NNYUYHANSA-N 2 0 239.363 0.522 20 0 BCADRP CC[C@H](C(=O)NC[C@H](C)[NH3+])[NH+](CC)CC ZINC000649359828 398171674 /nfs/dbraw/zinc/17/16/74/398171674.db2.gz FAYPPYYHYICXGL-VHSXEESVSA-N 2 0 215.341 0.570 20 0 BCADRP CC[C@H](C(=O)NC[C@@H](C)[NH3+])[NH+](CC)CC ZINC000649359826 398171780 /nfs/dbraw/zinc/17/17/80/398171780.db2.gz FAYPPYYHYICXGL-NXEZZACHSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[NH2+]C12CCCC2)[NH+](C)C ZINC000649373468 398183283 /nfs/dbraw/zinc/18/32/83/398183283.db2.gz ZZMOCWXSFKXVRL-QWRGUYRKSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)[NH+](C)C ZINC000649363269 398174489 /nfs/dbraw/zinc/17/44/89/398174489.db2.gz NSXQKHKBHVHXIX-GARJFASQSA-N 2 0 225.336 0.147 20 0 BCADRP CC[C@@H](C)C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000093110017 398175910 /nfs/dbraw/zinc/17/59/10/398175910.db2.gz CYDULJRWODVQGR-GHMZBOCLSA-N 2 0 202.342 0.935 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[C@H](C[NH3+])C1)[NH+](C)C ZINC000649366329 398176214 /nfs/dbraw/zinc/17/62/14/398176214.db2.gz YOOKYUPYXYVKAO-GUBZILKMSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@H](C)[NH+](C)C ZINC000649364497 398177441 /nfs/dbraw/zinc/17/74/41/398177441.db2.gz PFKCCEVJIIPOPH-IUCAKERBSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)F)[NH+](C)C ZINC000649364987 398177448 /nfs/dbraw/zinc/17/74/48/398177448.db2.gz BVLPYWDLWNCTAR-BQBZGAKWSA-N 2 0 223.267 0.035 20 0 BCADRP C[C@@H](C(=O)N(C)C1(C[NH3+])CCC1)[NH+](C)C ZINC000649365854 398177823 /nfs/dbraw/zinc/17/78/23/398177823.db2.gz UNTICXXIYHZTOQ-VIFPVBQESA-N 2 0 213.325 0.276 20 0 BCADRP c1n[nH]nc1CCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000647964410 398177842 /nfs/dbraw/zinc/17/78/42/398177842.db2.gz IODDVQIMYIYGJD-LBPRGKRZSA-N 2 0 249.362 0.765 20 0 BCADRP C[C@@H](C(=O)NCCC[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000649366106 398178942 /nfs/dbraw/zinc/17/89/42/398178942.db2.gz ZKEVJNYFWZWORJ-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+]CCC[N@H+](CCO)CC(C)(C)C ZINC000380000809 398180465 /nfs/dbraw/zinc/18/04/65/398180465.db2.gz MNGXKNPNWXBOCF-UHFFFAOYSA-N 2 0 202.342 0.936 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)[C@@H](C)O ZINC000519765436 398180736 /nfs/dbraw/zinc/18/07/36/398180736.db2.gz JERQPKHLUWLPCY-NWDGAFQWSA-N 2 0 232.368 0.704 20 0 BCADRP C[C@@H](C(=O)NC(C)(C)CC[NH3+])[NH+](C)C ZINC000649369069 398182204 /nfs/dbraw/zinc/18/22/04/398182204.db2.gz OGPQNIZOXQRQIT-QMMMGPOBSA-N 2 0 201.314 0.180 20 0 BCADRP COCC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]2)C1 ZINC000423233147 398165152 /nfs/dbraw/zinc/16/51/52/398165152.db2.gz JFTHLJNJHFHPSW-RYUDHWBXSA-N 2 0 227.352 0.049 20 0 BCADRP COCC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH2+]2)C1 ZINC000423233145 398165341 /nfs/dbraw/zinc/16/53/41/398165341.db2.gz JFTHLJNJHFHPSW-NEPJUHHUSA-N 2 0 227.352 0.049 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CCc2cn[nH]c2)C1 ZINC000379779534 398166716 /nfs/dbraw/zinc/16/67/16/398166716.db2.gz FKCBAXGJEWWKPO-LLVKDONJSA-N 2 0 208.309 0.494 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000336746186 398188052 /nfs/dbraw/zinc/18/80/52/398188052.db2.gz RECZLESZQVFPKN-GUBZILKMSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)CC[C@H]1[NH3+] ZINC000576225355 365528784 /nfs/dbraw/zinc/52/87/84/365528784.db2.gz FRCUJEHRQFMVCU-RAIGVLPGSA-N 2 0 247.342 0.882 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000576228258 365529500 /nfs/dbraw/zinc/52/95/00/365529500.db2.gz CVRJMLBFWIQYJT-VWYCJHECSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000576254448 365540915 /nfs/dbraw/zinc/54/09/15/365540915.db2.gz BVYQVIPPKOLXSF-YFKTTZPYSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCCCC[NH2+]2)CC[C@H]1[NH3+] ZINC000576228520 365529933 /nfs/dbraw/zinc/52/99/33/365529933.db2.gz VUIOAIHHMUHOIA-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000576230838 365531305 /nfs/dbraw/zinc/53/13/05/365531305.db2.gz PUYBNMRNVPZTRZ-BDAKNGLRSA-N 2 0 249.305 0.427 20 0 BCADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1cnccn1 ZINC000576230624 365531545 /nfs/dbraw/zinc/53/15/45/365531545.db2.gz IVTNBMMWTCQRIZ-NSHDSACASA-N 2 0 220.320 0.908 20 0 BCADRP [NH3+]CCc1ccccc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000576236606 365532595 /nfs/dbraw/zinc/53/25/95/365532595.db2.gz VQAJJIUQHVNOIG-NSHDSACASA-N 2 0 233.315 0.361 20 0 BCADRP C[C@@H](NCC1(CO)CC1)[C@H]1CCCC[NH2+]1 ZINC000385993478 398194279 /nfs/dbraw/zinc/19/42/79/398194279.db2.gz FHAWYJABPDNTOO-GHMZBOCLSA-N 2 0 212.337 0.879 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)CCC(C)(C)[NH3+] ZINC000380338946 398196468 /nfs/dbraw/zinc/19/64/68/398196468.db2.gz RBACURCHXDFHLB-MRVPVSSYSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@@H](C(=O)NC[C@H](C)[NH+]1CCCC1)C1C[NH2+]C1 ZINC000164695682 398202575 /nfs/dbraw/zinc/20/25/75/398202575.db2.gz WVVTYOGFACUQMT-WDEREUQCSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926995 398204746 /nfs/dbraw/zinc/20/47/46/398204746.db2.gz QASHMSJESKZSAK-TUAOUCFPSA-N 2 0 239.363 0.713 20 0 BCADRP c1ncn(C[C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)n1 ZINC000649412981 398209754 /nfs/dbraw/zinc/20/97/54/398209754.db2.gz GUDPJMPIUSRIKY-CHWSQXEVSA-N 2 0 249.362 0.742 20 0 BCADRP C[NH2+]CCCN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000649411071 398209697 /nfs/dbraw/zinc/20/96/97/398209697.db2.gz LMJQCOPMFTWSBY-ZDUSSCGKSA-N 2 0 241.379 0.393 20 0 BCADRP CCNCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000643505393 398213594 /nfs/dbraw/zinc/21/35/94/398213594.db2.gz WSKYACBCFCQRCH-NSHDSACASA-N 3 0 213.369 0.916 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638970764 398214557 /nfs/dbraw/zinc/21/45/57/398214557.db2.gz VDQKQOWUPWPJAD-GMTAPVOTSA-N 2 0 227.352 0.748 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)CC[NH3+] ZINC000576330497 365566804 /nfs/dbraw/zinc/56/68/04/365566804.db2.gz YDNFEDVEVKAGEA-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP c1cnn(CCN2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000649419371 398220495 /nfs/dbraw/zinc/22/04/95/398220495.db2.gz MYUPURGDHOSUEF-VXGBXAGGSA-N 2 0 220.320 0.567 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000576412501 365590691 /nfs/dbraw/zinc/59/06/91/365590691.db2.gz NFSVNWPGNMVWFJ-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418362252 192028471 /nfs/dbraw/zinc/02/84/71/192028471.db2.gz HNWIREIEYBRUTE-MXWKQRLJSA-N 2 0 240.351 0.036 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000418362988 192028500 /nfs/dbraw/zinc/02/85/00/192028500.db2.gz BQFKBZGAXVJUIL-DCAQKATOSA-N 2 0 242.367 0.269 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417449554 398223697 /nfs/dbraw/zinc/22/36/97/398223697.db2.gz YCIVKVGEPPCEAZ-GARJFASQSA-N 2 0 244.383 0.752 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418368129 192028730 /nfs/dbraw/zinc/02/87/30/192028730.db2.gz MDAKEBRMPWCXFY-ZJUUUORDSA-N 2 0 228.340 0.036 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000418374337 192029964 /nfs/dbraw/zinc/02/99/64/192029964.db2.gz SFQWEFZEGPWFFE-OUAUKWLOSA-N 2 0 240.351 0.308 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418382428 192030530 /nfs/dbraw/zinc/03/05/30/192030530.db2.gz ISZWWKZNKURALB-GHMZBOCLSA-N 2 0 242.367 0.283 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418382429 192030697 /nfs/dbraw/zinc/03/06/97/192030697.db2.gz ISZWWKZNKURALB-MNOVXSKESA-N 2 0 242.367 0.283 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418384031 192030902 /nfs/dbraw/zinc/03/09/02/192030902.db2.gz NVCYWASOONWYIG-SNVBAGLBSA-N 2 0 240.351 0.084 20 0 BCADRP C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000418383486 192030927 /nfs/dbraw/zinc/03/09/27/192030927.db2.gz NLVMWNVUOKANPH-GMTAPVOTSA-N 2 0 240.351 0.117 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418383726 192030994 /nfs/dbraw/zinc/03/09/94/192030994.db2.gz ZSDWXRNRZYUIFT-ZJUUUORDSA-N 2 0 228.340 0.021 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418384959 192031256 /nfs/dbraw/zinc/03/12/56/192031256.db2.gz POYQEWXXOLIFAF-JTQLQIEISA-N 2 0 242.367 0.555 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000418403751 192033529 /nfs/dbraw/zinc/03/35/29/192033529.db2.gz JUTCLUDAQXNWAF-GARJFASQSA-N 2 0 242.367 0.362 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000418403752 192033899 /nfs/dbraw/zinc/03/38/99/192033899.db2.gz JUTCLUDAQXNWAF-GMTAPVOTSA-N 2 0 242.367 0.362 20 0 BCADRP CC(C)(C[NH3+])NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418411688 192034416 /nfs/dbraw/zinc/03/44/16/192034416.db2.gz PNGXRELLWCXKKJ-NXEZZACHSA-N 2 0 242.367 0.540 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418411193 192034509 /nfs/dbraw/zinc/03/45/09/192034509.db2.gz QAIDTMQNTMEERA-MXWKQRLJSA-N 2 0 242.367 0.267 20 0 BCADRP CN(CC[NH3+])C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418415003 192035026 /nfs/dbraw/zinc/03/50/26/192035026.db2.gz SJPCTXBNQYLMOY-ZJUUUORDSA-N 2 0 228.340 0.104 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000430764340 398231122 /nfs/dbraw/zinc/23/11/22/398231122.db2.gz PPKJRIVXDSGXNJ-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000430758994 398231174 /nfs/dbraw/zinc/23/11/74/398231174.db2.gz FAWGICLFOIDAFB-GARJFASQSA-N 2 0 227.352 0.713 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N1CC[NH2+]CC1 ZINC000418437971 192035776 /nfs/dbraw/zinc/03/57/76/192035776.db2.gz DKKVRPTUXYYDGX-JTQLQIEISA-N 2 0 228.340 0.119 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418435873 192035815 /nfs/dbraw/zinc/03/58/15/192035815.db2.gz GIHGHHSBDMMQBP-IVZWLZJFSA-N 2 0 230.356 0.395 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H](C)CC[NH3+] ZINC000418436439 192035829 /nfs/dbraw/zinc/03/58/29/192035829.db2.gz GUMYUWHJJJZVSI-VHSXEESVSA-N 2 0 230.356 0.396 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418417571 192035407 /nfs/dbraw/zinc/03/54/07/192035407.db2.gz WYIACBYTNYZHFE-GARJFASQSA-N 2 0 242.367 0.539 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418438011 192035484 /nfs/dbraw/zinc/03/54/84/192035484.db2.gz DONIIBUCJABNPK-UKKRHICBSA-N 2 0 240.351 0.021 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418440184 192035606 /nfs/dbraw/zinc/03/56/06/192035606.db2.gz GWZOESAJMYQALS-KXUCPTDWSA-N 2 0 230.356 0.539 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000418435579 192035639 /nfs/dbraw/zinc/03/56/39/192035639.db2.gz ASZGPIDYDTYYMO-AXFHLTTASA-N 2 0 242.367 0.635 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NC[C@H](C)C[NH3+] ZINC000418440337 192035656 /nfs/dbraw/zinc/03/56/56/192035656.db2.gz PHJLHPOJRMAWHE-SECBINFHSA-N 2 0 230.356 0.398 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418440183 192035690 /nfs/dbraw/zinc/03/56/90/192035690.db2.gz GWZOESAJMYQALS-IVZWLZJFSA-N 2 0 230.356 0.539 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N(C)C1CC([NH3+])C1 ZINC000418443669 192036273 /nfs/dbraw/zinc/03/62/73/192036273.db2.gz VRZFYVCNIREZHR-UHFFFAOYSA-N 2 0 242.367 0.635 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCCCC[NH3+] ZINC000418446414 192036323 /nfs/dbraw/zinc/03/63/23/192036323.db2.gz PNNPPQHBOGLKQZ-JTQLQIEISA-N 2 0 230.356 0.398 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000418443912 192036364 /nfs/dbraw/zinc/03/63/64/192036364.db2.gz LNGOVIFJCWOWFJ-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](C)C[NH3+] ZINC000418446592 192036464 /nfs/dbraw/zinc/03/64/64/192036464.db2.gz OCYZKKSAPNGIHM-ZJUUUORDSA-N 2 0 230.356 0.398 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418444133 192036781 /nfs/dbraw/zinc/03/67/81/192036781.db2.gz VZGTUMYCSRZEMA-RKDXNWHRSA-N 2 0 230.356 0.539 20 0 BCADRP CN(CC[NH+](C)C)C(=O)C[N@H+](C)C1CCC1 ZINC000629968277 361816999 /nfs/dbraw/zinc/81/69/99/361816999.db2.gz ZGBIWPHRIPBYMV-UHFFFAOYSA-N 2 0 227.352 0.491 20 0 BCADRP C[C@H]([NH3+])CNC(=O)c1ccc(C[NH3+])cc1 ZINC000381258972 398242076 /nfs/dbraw/zinc/24/20/76/398242076.db2.gz RLPYHEDPEYJFCQ-QMMMGPOBSA-N 2 0 207.277 0.222 20 0 BCADRP C[C@@H](c1nc([C@H]2CCC[NH2+]2)no1)[C@H](C)[NH3+] ZINC000381251914 398244102 /nfs/dbraw/zinc/24/41/02/398244102.db2.gz PSQHLUJXVDLKJE-GJMOJQLCSA-N 2 0 210.281 0.945 20 0 BCADRP C[C@@H]([NH3+])CCc1nc([C@H]2CCC[NH2+]2)no1 ZINC000381254733 398244166 /nfs/dbraw/zinc/24/41/66/398244166.db2.gz QMHOQZWMDCBHMX-HTQZYQBOSA-N 2 0 210.281 0.774 20 0 BCADRP C[C@@H]1C[C@H](C)N(C[C@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000647992999 398244847 /nfs/dbraw/zinc/24/48/47/398244847.db2.gz ZOKTXJWPNQILFP-VOAKCMCISA-N 2 0 225.380 0.901 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000418447895 192036906 /nfs/dbraw/zinc/03/69/06/192036906.db2.gz QBNRNGOHGIOXHU-GHMZBOCLSA-N 2 0 242.367 0.637 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N(C)CC[NH+](C)C ZINC000418426145 192036923 /nfs/dbraw/zinc/03/69/23/192036923.db2.gz LOXZGMFIGOPVII-LLVKDONJSA-N 2 0 244.383 0.563 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)N[C@@H](C[NH3+])CC(C)C)C1 ZINC000418422646 192037431 /nfs/dbraw/zinc/03/74/31/192037431.db2.gz BCGKSLDGFZFLGF-GHMZBOCLSA-N 2 0 242.367 0.363 20 0 BCADRP CO[C@H](C[NH3+])CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000576516375 365615373 /nfs/dbraw/zinc/61/53/73/365615373.db2.gz ANSARJQOZXBVPZ-DCAQKATOSA-N 2 0 243.351 0.079 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000576519724 365615930 /nfs/dbraw/zinc/61/59/30/365615930.db2.gz FXNYITFFBMHSPI-QWRGUYRKSA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000381282195 398247523 /nfs/dbraw/zinc/24/75/23/398247523.db2.gz YMWJYKWQLNLLLK-VHSXEESVSA-N 2 0 213.325 0.228 20 0 BCADRP O=C(C[NH2+][C@@H]1CC[C@@H]1C1CC1)N1CC[NH2+]CC1 ZINC000576576054 365627086 /nfs/dbraw/zinc/62/70/86/365627086.db2.gz DKDGNVPPSXTNDM-VXGBXAGGSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000381334874 398252466 /nfs/dbraw/zinc/25/24/66/398252466.db2.gz VJJDJQASVKCRPD-VIFPVBQESA-N 2 0 211.309 0.078 20 0 BCADRP CC1(C)CNCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000381604073 398254258 /nfs/dbraw/zinc/25/42/58/398254258.db2.gz PELNFFRONQVWLB-UHFFFAOYSA-N 2 0 211.353 0.670 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@]1(C)CO ZINC000576644439 365647382 /nfs/dbraw/zinc/64/73/82/365647382.db2.gz FUZHMGNNXHJVHF-FRRDWIJNSA-N 2 0 244.379 0.440 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CC(C)(C)[NH3+])CC[NH2+]1 ZINC000381442931 398257585 /nfs/dbraw/zinc/25/75/85/398257585.db2.gz ZZFURBTYAFDBRU-BDAKNGLRSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)CC(C)(C)[NH3+])CC[NH2+]1 ZINC000381442933 398257617 /nfs/dbraw/zinc/25/76/17/398257617.db2.gz ZZFURBTYAFDBRU-IUCAKERBSA-N 2 0 213.325 0.371 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000576702138 365662871 /nfs/dbraw/zinc/66/28/71/365662871.db2.gz MVQUJUQFRVALGV-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP Cn1cncc1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000291169615 538947282 /nfs/dbraw/zinc/94/72/82/538947282.db2.gz ITXPVDLFIGUNFF-JTQLQIEISA-N 2 0 222.292 0.131 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000576754375 365676649 /nfs/dbraw/zinc/67/66/49/365676649.db2.gz OPYWKKWHJXHEAD-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)CC[NH2+]C1CC1 ZINC000576768090 365681995 /nfs/dbraw/zinc/68/19/95/365681995.db2.gz VXTYBAPJTZXVIE-SNVBAGLBSA-N 2 0 211.309 0.078 20 0 BCADRP CC(C)[NH2+]CCC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000381582173 398264664 /nfs/dbraw/zinc/26/46/64/398264664.db2.gz FVOJXLMCFKNCSM-JTQLQIEISA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000378742201 346821005 /nfs/dbraw/zinc/82/10/05/346821005.db2.gz PWEXFNSXPPNUJN-SGIHWFKDSA-N 2 0 213.325 0.356 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418488599 192041208 /nfs/dbraw/zinc/04/12/08/192041208.db2.gz KVMIUXFALGHUIC-PWSUYJOCSA-N 2 0 242.367 0.270 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H](C)CCCC[NH3+] ZINC000418488334 192040929 /nfs/dbraw/zinc/04/09/29/192040929.db2.gz KUIYHSMAHOWKSL-LLVKDONJSA-N 2 0 244.383 0.803 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000418488096 192040970 /nfs/dbraw/zinc/04/09/70/192040970.db2.gz JPFBOXIODWDCSU-MNOVXSKESA-N 2 0 242.367 0.426 20 0 BCADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC000036793949 538961237 /nfs/dbraw/zinc/96/12/37/538961237.db2.gz YRXCSBXMYKCLPC-GHMZBOCLSA-N 2 0 241.379 0.783 20 0 BCADRP C[NH+](C)C1(CNC(=O)C2([NH+](C)C)CC2)CC1 ZINC000616343481 342718257 /nfs/dbraw/zinc/71/82/57/342718257.db2.gz KKUVAEKBBQZLAH-UHFFFAOYSA-N 2 0 225.336 0.291 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418492771 192041693 /nfs/dbraw/zinc/04/16/93/192041693.db2.gz VOGLUIXMCGDEOP-SNVBAGLBSA-N 2 0 242.367 0.350 20 0 BCADRP CCC[NH2+]CCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000418492877 192041724 /nfs/dbraw/zinc/04/17/24/192041724.db2.gz WTJYMDBOJVXJGD-UHFFFAOYSA-N 2 0 242.367 0.379 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418493175 192041778 /nfs/dbraw/zinc/04/17/78/192041778.db2.gz XPRJECFDEFRNSR-MNOVXSKESA-N 2 0 242.367 0.283 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H](C)C[NH3+] ZINC000418489749 192041849 /nfs/dbraw/zinc/04/18/49/192041849.db2.gz MDGFPVCHYKPEHU-QWRGUYRKSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@@]1(C[NH+]2CCC(C[NH3+])CC2)CC[NH2+]C1 ZINC000335603754 136235946 /nfs/dbraw/zinc/23/59/46/136235946.db2.gz UOMRPNCSOFLEAF-GFCCVEGCSA-N 3 0 211.353 0.657 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)CCC[NH3+] ZINC000167199371 361862245 /nfs/dbraw/zinc/86/22/45/361862245.db2.gz GHMRPQSZPPMVFE-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000517742426 342745861 /nfs/dbraw/zinc/74/58/61/342745861.db2.gz DZAVOMHXKHOWIH-GMTAPVOTSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]C[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000381852382 398279290 /nfs/dbraw/zinc/27/92/90/398279290.db2.gz TWISESGBUKGGFS-VXGBXAGGSA-N 2 0 211.353 0.527 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)C1([NH+](C)C)CC1 ZINC000613259509 361868413 /nfs/dbraw/zinc/86/84/13/361868413.db2.gz INWPBLSQYUVAMR-UHFFFAOYSA-N 2 0 227.352 0.491 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602593251 349615837 /nfs/dbraw/zinc/61/58/37/349615837.db2.gz WCNFYOUFQATFBS-KXUCPTDWSA-N 2 0 243.376 0.030 20 0 BCADRP CC(C)[C@H](C(=O)NCCCC[NH3+])[C@H](C)[NH3+] ZINC000399498720 342735507 /nfs/dbraw/zinc/73/55/07/342735507.db2.gz IBECRIRFCHIQFH-UWVGGRQHSA-N 2 0 215.341 0.461 20 0 BCADRP CCC(CC)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000308491730 168388666 /nfs/dbraw/zinc/38/86/66/168388666.db2.gz BVNZOLXKELTZRR-NSHDSACASA-N 2 0 200.326 0.831 20 0 BCADRP CC[C@@H](C(=O)NCC1([NH2+]C)CCC1)[NH+](C)C ZINC000630002609 361889699 /nfs/dbraw/zinc/88/96/99/361889699.db2.gz XFMPJOYQKOQIPQ-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H](C)CCC[NH3+] ZINC000418450049 192042813 /nfs/dbraw/zinc/04/28/13/192042813.db2.gz UFKSUVUAECYENB-QWRGUYRKSA-N 2 0 244.383 0.786 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418506712 192044635 /nfs/dbraw/zinc/04/46/35/192044635.db2.gz ACZDKHMZEPINKH-SCZZXKLOSA-N 2 0 228.340 0.150 20 0 BCADRP CC[C@@H](C)[NH+]1CCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000418512986 192045835 /nfs/dbraw/zinc/04/58/35/192045835.db2.gz LYEKRCWUOKFDJU-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648165932 398293083 /nfs/dbraw/zinc/29/30/83/398293083.db2.gz XJKLSYNMZCQTMP-JLLWLGSASA-N 2 0 237.347 0.289 20 0 BCADRP C[C@]1(CN2CC[NH2+]C[C@@](C)(F)C2)CC[NH2+]C1 ZINC000335479506 398291110 /nfs/dbraw/zinc/29/11/10/398291110.db2.gz KPGURGMQCGFUAA-NWDGAFQWSA-N 2 0 229.343 0.619 20 0 BCADRP C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)C1CC[NH+](C)CC1 ZINC000379893809 538980892 /nfs/dbraw/zinc/98/08/92/538980892.db2.gz BKXUCUSOISXDHQ-PWSUYJOCSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H](C)C[NH3+] ZINC000418515942 192046030 /nfs/dbraw/zinc/04/60/30/192046030.db2.gz RARXGNCHDJUCBV-LLVKDONJSA-N 2 0 244.383 0.563 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000417818962 398294011 /nfs/dbraw/zinc/29/40/11/398294011.db2.gz SVFFNOUXJSZLLJ-WDEREUQCSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000418521184 192047190 /nfs/dbraw/zinc/04/71/90/192047190.db2.gz IBZPLCACABIERM-OPRDCNLKSA-N 2 0 228.340 0.116 20 0 BCADRP [NH3+][C@H]1C[C@@H](NC2C[NH2+]C2)c2ccccc21 ZINC000335626291 136240798 /nfs/dbraw/zinc/24/07/98/136240798.db2.gz ZXNBCNYGUGQHKZ-NWDGAFQWSA-N 2 0 203.289 0.693 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH3+])C1 ZINC000418516894 192046568 /nfs/dbraw/zinc/04/65/68/192046568.db2.gz UALLTRSSVMGRQW-MNOVXSKESA-N 2 0 242.367 0.458 20 0 BCADRP C[C@@H](C(=O)N1CC[NH2+]C(C)(C)C1)[C@H](C)[NH3+] ZINC000335628241 136241303 /nfs/dbraw/zinc/24/13/03/136241303.db2.gz ZEJFGJNAILEDNU-BDAKNGLRSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[C@@H](CO)C[NH2+][C@H](C)CCC[NH3+] ZINC000394044755 259324277 /nfs/dbraw/zinc/32/42/77/259324277.db2.gz VRUKULYCANBNNZ-GHMZBOCLSA-N 2 0 202.342 0.968 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000191367037 398298566 /nfs/dbraw/zinc/29/85/66/398298566.db2.gz CPSUKMNFCYYXCE-SNVBAGLBSA-N 2 0 213.325 0.278 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000418527403 192047592 /nfs/dbraw/zinc/04/75/92/192047592.db2.gz OEMYFOYDXJGMGH-LLVKDONJSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCC[NH3+] ZINC000417883467 398299262 /nfs/dbraw/zinc/29/92/62/398299262.db2.gz WKNQLZXQSGSYFI-KOLCDFICSA-N 2 0 240.351 0.117 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH3+] ZINC000037049926 398300208 /nfs/dbraw/zinc/30/02/08/398300208.db2.gz RHUCKMDEPOZENI-UHFFFAOYSA-N 2 0 201.314 0.134 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H](C)CC[NH3+] ZINC000418534941 192049359 /nfs/dbraw/zinc/04/93/59/192049359.db2.gz YKKQHIYSJCDXLL-GHMZBOCLSA-N 2 0 244.383 0.739 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418533748 192048944 /nfs/dbraw/zinc/04/89/44/192048944.db2.gz WACODDPVKFBIIY-OPRDCNLKSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418534849 192048952 /nfs/dbraw/zinc/04/89/52/192048952.db2.gz XWHJBZMQLLNFGW-MWLCHTKSSA-N 2 0 242.367 0.540 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000167193594 136244214 /nfs/dbraw/zinc/24/42/14/136244214.db2.gz UDKFKCSUWBDQCZ-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP COC[C@H](O)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000300396281 259326875 /nfs/dbraw/zinc/32/68/75/259326875.db2.gz BIOFYVRCFHVXEV-GARJFASQSA-N 2 0 216.325 0.243 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000418550942 192049684 /nfs/dbraw/zinc/04/96/84/192049684.db2.gz ARVRMNNLUGNMAA-AXFHLTTASA-N 2 0 240.351 0.117 20 0 BCADRP CO[C@@H](C[NH2+]CCC[NH+](C)C)C1CC1 ZINC000382157014 398308002 /nfs/dbraw/zinc/30/80/02/398308002.db2.gz RLIQABUIEZRBRV-NSHDSACASA-N 2 0 200.326 0.953 20 0 BCADRP Cn1ccc(C[NH2+]CCc2cncn2C)n1 ZINC000401632717 342859005 /nfs/dbraw/zinc/85/90/05/342859005.db2.gz AUIQQPUSTDOGFQ-UHFFFAOYSA-N 2 0 219.292 0.486 20 0 BCADRP C[C@@H]1CCN(C(=O)CC[NH2+]C2CC2)C[C@@H]1C[NH3+] ZINC000584004201 342899881 /nfs/dbraw/zinc/89/98/81/342899881.db2.gz CUXIHEOQRICIHZ-MNOVXSKESA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000167342109 136245633 /nfs/dbraw/zinc/24/56/33/136245633.db2.gz HVGIAZIOVOLLQG-JQWIXIFHSA-N 2 0 241.379 0.959 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418555780 192050401 /nfs/dbraw/zinc/05/04/01/192050401.db2.gz DULAWZQGGHTKOS-GUBZILKMSA-N 2 0 228.340 0.021 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000035738363 342891398 /nfs/dbraw/zinc/89/13/98/342891398.db2.gz ZFDDLUYBRHHBEC-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](C)C[NH3+] ZINC000418560945 192050855 /nfs/dbraw/zinc/05/08/55/192050855.db2.gz DPUFECLRWPZDSB-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756558 398326128 /nfs/dbraw/zinc/32/61/28/398326128.db2.gz WXLAZAZLDPAGJB-LLVKDONJSA-N 2 0 212.337 0.785 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000037042448 342916421 /nfs/dbraw/zinc/91/64/21/342916421.db2.gz HBDQHOXCIUHBQD-MRVPVSSYSA-N 2 0 211.309 0.077 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H](C)C[NH3+] ZINC000418576388 192053155 /nfs/dbraw/zinc/05/31/55/192053155.db2.gz XNLCKSQWOPNMCV-VHSXEESVSA-N 2 0 230.356 0.348 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000381334872 398324814 /nfs/dbraw/zinc/32/48/14/398324814.db2.gz VJJDJQASVKCRPD-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000234263325 342919359 /nfs/dbraw/zinc/91/93/59/342919359.db2.gz WKXHQBZVEMGAGR-VXGBXAGGSA-N 3 0 229.368 0.424 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418586183 192053313 /nfs/dbraw/zinc/05/33/13/192053313.db2.gz PZASHGJNKYAMTK-MXWKQRLJSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC(C)(C)C[NH3+] ZINC000418586095 192053745 /nfs/dbraw/zinc/05/37/45/192053745.db2.gz ZHCQAMDYGQFCEV-DTWKUNHWSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037476566 398327802 /nfs/dbraw/zinc/32/78/02/398327802.db2.gz RFVZFHMYSPLBAE-GARJFASQSA-N 2 0 225.336 0.467 20 0 BCADRP CN(CC[NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418604408 192054996 /nfs/dbraw/zinc/05/49/96/192054996.db2.gz XSFWMYAKAWSHMM-SNVBAGLBSA-N 2 0 228.340 0.104 20 0 BCADRP CN(CC[NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418604402 192054999 /nfs/dbraw/zinc/05/49/99/192054999.db2.gz XSFWMYAKAWSHMM-JTQLQIEISA-N 2 0 228.340 0.104 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000564945200 398329219 /nfs/dbraw/zinc/32/92/19/398329219.db2.gz WYUFUWFAKJHHCR-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000576821671 365689467 /nfs/dbraw/zinc/68/94/67/365689467.db2.gz ZGDZERWCBKVKLQ-ZYHUDNBSSA-N 2 0 241.379 0.816 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NCCC[NH2+]C(C)C ZINC000561208611 398338478 /nfs/dbraw/zinc/33/84/78/398338478.db2.gz XYDUDWMYRKOVRA-LLVKDONJSA-N 2 0 244.383 0.672 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C2CC2)CC1 ZINC000037609636 398332461 /nfs/dbraw/zinc/33/24/61/398332461.db2.gz GSWPERXZZBEAOE-UHFFFAOYSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC[NH2+]C(C)(C)C ZINC000580309158 346888038 /nfs/dbraw/zinc/88/80/38/346888038.db2.gz JQXZNPOGLVJVOJ-VIFPVBQESA-N 2 0 215.341 0.618 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)NCC[N@H+]1CC=CCC1 ZINC000392811691 398335610 /nfs/dbraw/zinc/33/56/10/398335610.db2.gz BZJDXFNBFBJGMN-GFCCVEGCSA-N 2 0 237.347 0.364 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC[N@H+]1CC=CCC1 ZINC000392856544 398335637 /nfs/dbraw/zinc/33/56/37/398335637.db2.gz IAEUKRMTOJNTLP-SNVBAGLBSA-N 2 0 211.309 0.102 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000418608775 192055982 /nfs/dbraw/zinc/05/59/82/192055982.db2.gz ZAZDHOKVJNOINI-GMTAPVOTSA-N 2 0 242.367 0.363 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449749737 398340204 /nfs/dbraw/zinc/34/02/04/398340204.db2.gz GWCDWZYAJLRUTH-VHSXEESVSA-N 2 0 227.352 0.474 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351830770 136256183 /nfs/dbraw/zinc/25/61/83/136256183.db2.gz UCBFLNXGUMRJEQ-QWRGUYRKSA-N 2 0 241.379 0.947 20 0 BCADRP CCCCNC(=O)CC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351856799 136258275 /nfs/dbraw/zinc/25/82/75/136258275.db2.gz WKXDBNUEMFNMKP-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000309812948 343017041 /nfs/dbraw/zinc/01/70/41/343017041.db2.gz UQXASUYEYNIZBH-KWQFWETISA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000309500759 259343548 /nfs/dbraw/zinc/34/35/48/259343548.db2.gz UWRFHCFFCLPNGE-MWLCHTKSSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)c1nc(C2([NH3+])CCC2)no1 ZINC000309448998 259343119 /nfs/dbraw/zinc/34/31/19/259343119.db2.gz MCVOOEQMLGXDTB-RNFRBKRXSA-N 2 0 210.281 0.858 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000309506993 259343294 /nfs/dbraw/zinc/34/32/94/259343294.db2.gz WEFCXGFSSGVLOP-NXEZZACHSA-N 2 0 213.325 0.087 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)c1coc(C[NH3+])c1 ZINC000309462056 259343322 /nfs/dbraw/zinc/34/33/22/259343322.db2.gz PCNVKWDUPAEKCN-SSDOTTSWSA-N 2 0 211.265 0.063 20 0 BCADRP C[NH+]1CCC(C(=O)NC(C)(C)C[NH3+])CC1 ZINC000082241518 343052769 /nfs/dbraw/zinc/05/27/69/343052769.db2.gz UIWJNENVYGDTQP-UHFFFAOYSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccccc2CC[NH3+])CC[NH2+]1 ZINC000576833441 365699296 /nfs/dbraw/zinc/69/92/96/365699296.db2.gz UMBCDCPOTRIBBB-LLVKDONJSA-N 2 0 247.342 0.622 20 0 BCADRP C[C@@H](O)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000119004716 343065611 /nfs/dbraw/zinc/06/56/11/343065611.db2.gz PAQRGLIFFZRUPY-MXWKQRLJSA-N 2 0 200.326 0.830 20 0 BCADRP C[C@@H]1CCC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000139807208 343067448 /nfs/dbraw/zinc/06/74/48/343067448.db2.gz NZVDIKIWCPQKKQ-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[C@H]([NH3+])c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000584882026 343083664 /nfs/dbraw/zinc/08/36/64/343083664.db2.gz XTYNVBBSKZURHJ-WPRPVWTQSA-N 2 0 209.297 0.468 20 0 BCADRP [NH3+][C@@H]1CC=C(c2nc([C@@H]3CCC[NH2+]3)no2)C1 ZINC000634557536 362049441 /nfs/dbraw/zinc/04/94/41/362049441.db2.gz ZIWRFROVIFGWFS-BDAKNGLRSA-N 2 0 220.276 0.999 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000237067092 343122424 /nfs/dbraw/zinc/12/24/24/343122424.db2.gz IZUZUEIURVTPOD-WDEREUQCSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H](C)CC[NH+](C)C ZINC000049559770 343111479 /nfs/dbraw/zinc/11/14/79/343111479.db2.gz YMDZVDUSJGIECZ-LLVKDONJSA-N 2 0 229.368 0.831 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC[NH+]1CCCCC1 ZINC000049575513 343113105 /nfs/dbraw/zinc/11/31/05/343113105.db2.gz FFMNGWMLEUUBEV-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000236997142 343116858 /nfs/dbraw/zinc/11/68/58/343116858.db2.gz YAQQAZLSDNSLLH-DCAQKATOSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000092956368 343150243 /nfs/dbraw/zinc/15/02/43/343150243.db2.gz YKLFXWJVHLNYSK-UMNHJUIQSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000092956337 343150271 /nfs/dbraw/zinc/15/02/71/343150271.db2.gz YCIYVYCLTPBMLF-ZYHUDNBSSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]CCCC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000237124143 343126840 /nfs/dbraw/zinc/12/68/40/343126840.db2.gz WCVVATIAZVDTGQ-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000092956419 343150174 /nfs/dbraw/zinc/15/01/74/343150174.db2.gz DRXAURSSEIQYSS-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000576943717 365728034 /nfs/dbraw/zinc/72/80/34/365728034.db2.gz TUGMZOLZSAYWAK-GFCCVEGCSA-N 3 0 227.352 0.037 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000123090905 343161463 /nfs/dbraw/zinc/16/14/63/343161463.db2.gz VLVOIXXWUGLQBU-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP C[NH2+]CCCN(C)C(=O)c1ccccc1CC[NH3+] ZINC000124627584 343163158 /nfs/dbraw/zinc/16/31/58/343163158.db2.gz FVZVIKOXUWMSFY-UHFFFAOYSA-N 2 0 249.358 0.869 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCCC[NH3+])CN1C1CC1 ZINC000229934469 136273937 /nfs/dbraw/zinc/27/39/37/136273937.db2.gz BUFJRTIURZXREK-QWRGUYRKSA-N 2 0 211.353 0.940 20 0 BCADRP C[NH+]1CCC(CC[NH2+]CCC(N)=O)CC1 ZINC000125147554 343165554 /nfs/dbraw/zinc/16/55/54/343165554.db2.gz LWLPRFVLOHQKBX-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP C[C@@]1(C(=O)N[C@@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000237513998 136272242 /nfs/dbraw/zinc/27/22/42/136272242.db2.gz LLEFQFFGYPFWEU-ZYHUDNBSSA-N 2 0 225.336 0.244 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000576967038 365736988 /nfs/dbraw/zinc/73/69/88/365736988.db2.gz GXIWYLXDHPCNAD-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@@H](CC(=O)NCCCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000127258932 343172502 /nfs/dbraw/zinc/17/25/02/343172502.db2.gz MOFXZFZKCSRXGA-RYUDHWBXSA-N 2 0 241.379 0.867 20 0 BCADRP [NH3+]C1(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000147785638 343198360 /nfs/dbraw/zinc/19/83/60/343198360.db2.gz DZMGHHLHIJSWNB-SNVBAGLBSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000156914312 343199348 /nfs/dbraw/zinc/19/93/48/343199348.db2.gz FMKWZMPEXCUCTD-QWRGUYRKSA-N 2 0 241.379 0.770 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000157213851 343199565 /nfs/dbraw/zinc/19/95/65/343199565.db2.gz YWBUNLGKQIDGKS-NWDGAFQWSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000157232352 343199808 /nfs/dbraw/zinc/19/98/08/343199808.db2.gz XFRWYLLGJNMWFY-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)(C)NC(=O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000168503059 343210379 /nfs/dbraw/zinc/21/03/79/343210379.db2.gz AOYURTNEOLSPBQ-UWVGGRQHSA-N 2 0 227.352 0.761 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000237915738 343218572 /nfs/dbraw/zinc/21/85/72/343218572.db2.gz BEYCFQUQDKUVCN-GFCCVEGCSA-N 2 0 247.342 0.875 20 0 BCADRP CN(CCOC[C@@H]1CCCO1)C1(C[NH3+])CCC1 ZINC000569723568 323038798 /nfs/dbraw/zinc/03/87/98/323038798.db2.gz CUBJIHFUCBPNBU-LBPRGKRZSA-N 2 0 242.363 0.995 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CCC[NH2+]C ZINC000087471736 136281424 /nfs/dbraw/zinc/28/14/24/136281424.db2.gz QNVQYHUHSCOKHP-VHSXEESVSA-N 2 0 215.341 0.428 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000353166103 136282239 /nfs/dbraw/zinc/28/22/39/136282239.db2.gz IZRMBVZUTRRZGO-MXWKQRLJSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000353166101 136282301 /nfs/dbraw/zinc/28/23/01/136282301.db2.gz IZRMBVZUTRRZGO-DCAQKATOSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000353166092 136282358 /nfs/dbraw/zinc/28/23/58/136282358.db2.gz IZRMBVZUTRRZGO-AXFHLTTASA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+]CC1(C(=O)NC[C@H]2CCC[NH2+]C2)CCCC1 ZINC000238007306 343237638 /nfs/dbraw/zinc/23/76/38/343237638.db2.gz OVFDWFMKVQUEQJ-NSHDSACASA-N 2 0 239.363 0.621 20 0 BCADRP C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000088091292 136284226 /nfs/dbraw/zinc/28/42/26/136284226.db2.gz CPASRYJVBXTINR-QJPTWQEYSA-N 2 0 212.337 0.783 20 0 BCADRP C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000634688009 343244999 /nfs/dbraw/zinc/24/49/99/343244999.db2.gz FICKOOAVIZZABF-UTUOFQBUSA-N 2 0 210.321 0.564 20 0 BCADRP C[C@@H]1CC[C@@H](C[NH2+]C2(CO)CC[NH2+]CC2)O1 ZINC000634688310 343246971 /nfs/dbraw/zinc/24/69/71/343246971.db2.gz PBLYUSRGQZSHNI-MNOVXSKESA-N 2 0 228.336 0.258 20 0 BCADRP CCCC[C@H](C(=O)OC)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000608991200 343253078 /nfs/dbraw/zinc/25/30/78/343253078.db2.gz LHFKTZHDUVEXOV-SDDRHHMPSA-N 2 0 240.347 0.869 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000418702974 192062406 /nfs/dbraw/zinc/06/24/06/192062406.db2.gz QIDJSUZDNCBMFN-XWLWVQCSSA-N 2 0 242.367 0.633 20 0 BCADRP CC[NH+]1CCC(N(C)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000043802983 488210284 /nfs/dbraw/zinc/21/02/84/488210284.db2.gz BNNBCPXOXFPQHG-ZDUSSCGKSA-N 2 0 241.379 0.391 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000340083213 136285981 /nfs/dbraw/zinc/28/59/81/136285981.db2.gz RCTDMAKDEADMFZ-GARJFASQSA-N 2 0 227.352 0.476 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C[C@H]1CCC[C@H]1[NH3+] ZINC000340083215 136286059 /nfs/dbraw/zinc/28/60/59/136286059.db2.gz RCTDMAKDEADMFZ-HBNTYKKESA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@H]1CCC[C@H]1[NH3+] ZINC000340083591 136286087 /nfs/dbraw/zinc/28/60/87/136286087.db2.gz UTSIXSIKPSZILP-IJLUTSLNSA-N 2 0 241.379 0.994 20 0 BCADRP CC[C@]1(C(=O)N(C)CC[NH2+]C)CC[NH2+]C1 ZINC000069803136 343291884 /nfs/dbraw/zinc/29/18/84/343291884.db2.gz ZGYRAUQRZHOEKW-NSHDSACASA-N 2 0 213.325 0.054 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H](C)CC[NH+](C)C ZINC000069839968 343292779 /nfs/dbraw/zinc/29/27/79/343292779.db2.gz DAKSSADKUQXULC-ZJUUUORDSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H](C)CC[NH+](C)C ZINC000069839970 343292893 /nfs/dbraw/zinc/29/28/93/343292893.db2.gz DAKSSADKUQXULC-NXEZZACHSA-N 2 0 215.341 0.570 20 0 BCADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)CO)CC1 ZINC000035603671 343300005 /nfs/dbraw/zinc/30/00/05/343300005.db2.gz QEAWGLGDMFWZDK-JTQLQIEISA-N 2 0 200.326 0.830 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335626885 136299644 /nfs/dbraw/zinc/29/96/44/136299644.db2.gz KXUJQRXNHIROJY-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335627351 136299797 /nfs/dbraw/zinc/29/97/97/136299797.db2.gz PSYBMABPKHWYOS-SECBINFHSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[NH2+]1 ZINC000335630312 136300400 /nfs/dbraw/zinc/30/04/00/136300400.db2.gz TVZFSCYYDZWOMB-NXEZZACHSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)CC1([NH3+])CC1 ZINC000398169742 488213452 /nfs/dbraw/zinc/21/34/52/488213452.db2.gz UBIJXKMYKSANMX-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](C)C1 ZINC000335675450 136318054 /nfs/dbraw/zinc/31/80/54/136318054.db2.gz ANRYJVWTNNMPOG-RYUDHWBXSA-N 2 0 239.363 0.633 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000335654062 136305915 /nfs/dbraw/zinc/30/59/15/136305915.db2.gz QVPQWFMNDFDHLF-MNOVXSKESA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@]1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000335654720 136305976 /nfs/dbraw/zinc/30/59/76/136305976.db2.gz ZVFFVOWUKWSUCH-WCBMZHEXSA-N 2 0 247.289 0.099 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000335654037 136306139 /nfs/dbraw/zinc/30/61/39/136306139.db2.gz PZUNKGDIDCYLSZ-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1CCN(C(=O)C2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000335657605 136306851 /nfs/dbraw/zinc/30/68/51/136306851.db2.gz QGXIGJMIMVZKEB-PWSUYJOCSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@@H]1CCN(C(=O)C2([NH3+])CCC2)C[C@H]1C[NH3+] ZINC000335658571 136307144 /nfs/dbraw/zinc/30/71/44/136307144.db2.gz VUIKMOCTCYSGJS-NXEZZACHSA-N 2 0 225.336 0.311 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000335658448 136307260 /nfs/dbraw/zinc/30/72/60/136307260.db2.gz UKHGOPARTTVFKY-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1CCN(C(=O)C2([NH3+])CCC2)C[C@@H]1C[NH3+] ZINC000335658574 136307308 /nfs/dbraw/zinc/30/73/08/136307308.db2.gz VUIKMOCTCYSGJS-ZJUUUORDSA-N 2 0 225.336 0.311 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000335658447 136307372 /nfs/dbraw/zinc/30/73/72/136307372.db2.gz UKHGOPARTTVFKY-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)CC[NH3+])CC1 ZINC000335642634 136309130 /nfs/dbraw/zinc/30/91/30/136309130.db2.gz ZMCWLABQHFSLHZ-LBPRGKRZSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC000166221042 136310576 /nfs/dbraw/zinc/31/05/76/136310576.db2.gz BZAVZJXTDFQYTK-GHMZBOCLSA-N 2 0 208.309 0.552 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000335662262 136315416 /nfs/dbraw/zinc/31/54/16/136315416.db2.gz IFNAFCJNOQFLJO-QWRGUYRKSA-N 2 0 239.363 0.892 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN([C@@H](C)C(=O)NC2CC2)C1 ZINC000166232118 136315470 /nfs/dbraw/zinc/31/54/70/136315470.db2.gz RFZVRFIVKBBBQL-GUBZILKMSA-N 2 0 225.336 0.323 20 0 BCADRP [NH3+]C1(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000335662879 136315594 /nfs/dbraw/zinc/31/55/94/136315594.db2.gz PMFPXDQLUQWAJY-QWRGUYRKSA-N 2 0 237.347 0.326 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000335662937 136315756 /nfs/dbraw/zinc/31/57/56/136315756.db2.gz MGACWILSAVRFKA-YPMHNXCESA-N 2 0 237.347 0.196 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000349084891 136322528 /nfs/dbraw/zinc/32/25/28/136322528.db2.gz ZKFCCEJRKDYNNV-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH2+]C(C)C ZINC000131985543 343392648 /nfs/dbraw/zinc/39/26/48/343392648.db2.gz CWTFIEVDFFKIIU-NSHDSACASA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000040430937 343403095 /nfs/dbraw/zinc/40/30/95/343403095.db2.gz XFYBZUXCROCCGL-ZYHUDNBSSA-N 2 0 235.331 0.753 20 0 BCADRP C[C@H](NC(=O)C1([NH3+])CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000335694159 136326323 /nfs/dbraw/zinc/32/63/23/136326323.db2.gz PZXAKYSWCKPVPF-WDEREUQCSA-N 2 0 239.363 0.762 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040624490 343408003 /nfs/dbraw/zinc/40/80/03/343408003.db2.gz OGZXGRVPMIYRHT-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000335727800 136347843 /nfs/dbraw/zinc/34/78/43/136347843.db2.gz UGDJQGDOTCWAOG-CHWSQXEVSA-N 2 0 239.363 0.716 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]CC1)N[C@H]1CCC[NH2+]C1 ZINC000335700561 136333862 /nfs/dbraw/zinc/33/38/62/136333862.db2.gz ZYFFHLGFTGKACE-NEPJUHHUSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000335700530 136334021 /nfs/dbraw/zinc/33/40/21/136334021.db2.gz WZZXFCXJZKXCCG-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP c1cn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000335715905 136339149 /nfs/dbraw/zinc/33/91/49/136339149.db2.gz LIESHRKTUYSLGH-PHIMTYICSA-N 2 0 207.277 0.746 20 0 BCADRP C[C@@]1(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000570037314 323047871 /nfs/dbraw/zinc/04/78/71/323047871.db2.gz QQMGZRZHEIGRQI-WCQYABFASA-N 2 0 239.363 0.634 20 0 BCADRP COC(=O)[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000082475158 343444445 /nfs/dbraw/zinc/44/44/45/343444445.db2.gz HUMJUWSRJKZRDS-IUCAKERBSA-N 2 0 214.309 0.607 20 0 BCADRP Cc1nccn1CCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000310394025 343469542 /nfs/dbraw/zinc/46/95/42/343469542.db2.gz HABSWZPYLAREHV-GFCCVEGCSA-N 2 0 236.319 0.450 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC)C[C@H]1C ZINC000310486444 343509686 /nfs/dbraw/zinc/50/96/86/343509686.db2.gz DZZIUBSZTOJVJC-AGIUHOORSA-N 2 0 244.379 0.798 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C)C(C)(C)C1 ZINC000310534192 343527865 /nfs/dbraw/zinc/52/78/65/343527865.db2.gz OVHXVHNEFPGVMQ-LBPRGKRZSA-N 2 0 243.395 0.325 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000418703398 192063183 /nfs/dbraw/zinc/06/31/83/192063183.db2.gz QNLFVXZBWFXMAU-UTINFBMNSA-N 2 0 228.340 0.114 20 0 BCADRP COC[C@@H](C)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000379941975 365755728 /nfs/dbraw/zinc/75/57/28/365755728.db2.gz ZEXVHYUWKDVWPG-NWDGAFQWSA-N 2 0 212.337 0.954 20 0 BCADRP COC[C@H](C)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000379941979 365755743 /nfs/dbraw/zinc/75/57/43/365755743.db2.gz ZEXVHYUWKDVWPG-VXGBXAGGSA-N 2 0 212.337 0.954 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000580560549 365764345 /nfs/dbraw/zinc/76/43/45/365764345.db2.gz LFENLKKDWXUNFD-NWDGAFQWSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2cn[nH]c2)C1 ZINC000379585163 343577874 /nfs/dbraw/zinc/57/78/74/343577874.db2.gz XPGYOKJUCCUYEO-GHMZBOCLSA-N 2 0 208.309 0.812 20 0 BCADRP C[C@@]1(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000152685738 343587316 /nfs/dbraw/zinc/58/73/16/343587316.db2.gz FUDQYJSAUNELJO-WCQYABFASA-N 2 0 239.363 0.492 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC(C)(C)[NH+](C)C ZINC000086067860 343608876 /nfs/dbraw/zinc/60/88/76/343608876.db2.gz MDPQIEGTARHMKM-SECBINFHSA-N 2 0 215.341 0.298 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000570265073 323054328 /nfs/dbraw/zinc/05/43/28/323054328.db2.gz KZYMQYAUFKJCTE-MNOVXSKESA-N 2 0 242.367 0.283 20 0 BCADRP FC(F)CN1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000570282577 323055079 /nfs/dbraw/zinc/05/50/79/323055079.db2.gz CTIJWQOJSCHZSF-NSHDSACASA-N 2 0 247.333 0.869 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621620101 343676669 /nfs/dbraw/zinc/67/66/69/343676669.db2.gz QRUAKBYQVDENKI-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CCO ZINC000380004313 365794817 /nfs/dbraw/zinc/79/48/17/365794817.db2.gz YWEUKMMRPYSLAC-STQMWFEESA-N 2 0 244.379 0.536 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CC[NH2+]C1CC1 ZINC000576052160 343700956 /nfs/dbraw/zinc/70/09/56/343700956.db2.gz CBSIVIPFHYENCC-ONGXEEELSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000418725422 192065085 /nfs/dbraw/zinc/06/50/85/192065085.db2.gz LCSIIQCXHHCVNZ-DCAQKATOSA-N 2 0 242.367 0.635 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000418725423 192065090 /nfs/dbraw/zinc/06/50/90/192065090.db2.gz LCSIIQCXHHCVNZ-GARJFASQSA-N 2 0 242.367 0.635 20 0 BCADRP C[C@@H]1C[C@H](N(C)C(=O)C[NH2+]C2CC2)CC[N@@H+]1C ZINC000154669645 343745687 /nfs/dbraw/zinc/74/56/87/343745687.db2.gz GWYJYIILNQPAMY-ZYHUDNBSSA-N 2 0 239.363 0.680 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000418726513 192064733 /nfs/dbraw/zinc/06/47/33/192064733.db2.gz LRDDRSBCFGQRQB-GHMZBOCLSA-N 2 0 244.383 0.739 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000154274020 343713210 /nfs/dbraw/zinc/71/32/10/343713210.db2.gz UXBQTHSSADPGIZ-GHMZBOCLSA-N 2 0 227.352 0.666 20 0 BCADRP CCCN(C(=O)NC[C@H]([NH3+])CC)[C@@H]1CC[NH2+]C1 ZINC000418718588 192065006 /nfs/dbraw/zinc/06/50/06/192065006.db2.gz HSEYJYBCBSZUMA-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP CSC[C@@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000187902273 259370793 /nfs/dbraw/zinc/37/07/93/259370793.db2.gz YILULRZDGGEUDS-NEPJUHHUSA-N 2 0 246.420 0.984 20 0 BCADRP O=C([C@H]1CCCCC[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000584221610 343773195 /nfs/dbraw/zinc/77/31/95/343773195.db2.gz XFORTPXKTQFLDI-GRYCIOLGSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000584231359 343776491 /nfs/dbraw/zinc/77/64/91/343776491.db2.gz PUPZVMAHCUCOCG-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684516 343746911 /nfs/dbraw/zinc/74/69/11/343746911.db2.gz NOVAWWSAWHQDGF-NTZNESFSSA-N 2 0 239.363 0.714 20 0 BCADRP CSC[C@@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000187902247 259370309 /nfs/dbraw/zinc/37/03/09/259370309.db2.gz YILULRZDGGEUDS-RYUDHWBXSA-N 2 0 246.420 0.984 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000621703829 343756634 /nfs/dbraw/zinc/75/66/34/343756634.db2.gz RVNUGUCCNRHIPE-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+]C1(C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000570451694 323060078 /nfs/dbraw/zinc/06/00/78/323060078.db2.gz YPPCBPNWHRVLLM-UHFFFAOYSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H](CC[NH3+])C(F)F ZINC000577061584 365798893 /nfs/dbraw/zinc/79/88/93/365798893.db2.gz XXGXTGDQLRXMKR-RNFRBKRXSA-N 2 0 223.267 0.213 20 0 BCADRP CC[N@H+](C[C@H](O)CN(C)CCOC)C1CC1 ZINC000381042228 343878382 /nfs/dbraw/zinc/87/83/82/343878382.db2.gz GHJZTCRSIBGCTL-GFCCVEGCSA-N 2 0 230.352 0.410 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447557030 201724786 /nfs/dbraw/zinc/72/47/86/201724786.db2.gz KJOAHHSXCUCDHI-SNVBAGLBSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C2([NH3+])CCC2)CC[NH2+]1 ZINC000564450588 343938799 /nfs/dbraw/zinc/93/87/99/343938799.db2.gz WDLMBCSYKVVVPE-RKDXNWHRSA-N 2 0 211.309 0.125 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN(CCOC)C1CC1 ZINC000381072038 343933978 /nfs/dbraw/zinc/93/39/78/343933978.db2.gz OQOVVXXIJMWKAB-GFCCVEGCSA-N 2 0 230.352 0.410 20 0 BCADRP C[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000577222090 343935565 /nfs/dbraw/zinc/93/55/65/343935565.db2.gz DRHOVVLZKQJHAN-XFWSIPNHSA-N 2 0 213.325 0.165 20 0 BCADRP CC(C)[C@@H]([NH3+])c1cn(CC2CC[NH2+]CC2)nn1 ZINC000641233791 362285782 /nfs/dbraw/zinc/28/57/82/362285782.db2.gz YWIXIVYETUDOFX-GFCCVEGCSA-N 2 0 237.351 0.934 20 0 BCADRP CC(C)([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000335797864 192068326 /nfs/dbraw/zinc/06/83/26/192068326.db2.gz ZLPRDRWEZJMQTF-LLVKDONJSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000155235438 344108990 /nfs/dbraw/zinc/10/89/90/344108990.db2.gz BFWNHEJYUSAWNA-SRVKXCTJSA-N 2 0 241.379 0.818 20 0 BCADRP C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000634733607 344113857 /nfs/dbraw/zinc/11/38/57/344113857.db2.gz JIRZOUVWPHCORG-NDBYEHHHSA-N 2 0 221.348 0.328 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634733750 344114003 /nfs/dbraw/zinc/11/40/03/344114003.db2.gz MUNPLJPMZNVAEF-SYQHCUMBSA-N 2 0 237.391 0.964 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634741964 344163499 /nfs/dbraw/zinc/16/34/99/344163499.db2.gz UZGYQUDSOXPVPF-ZMLRMANQSA-N 2 0 225.336 0.052 20 0 BCADRP CC1(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[NH2+]C1 ZINC000634742815 344163940 /nfs/dbraw/zinc/16/39/40/344163940.db2.gz YUVJDNORCHLFHD-BETUJISGSA-N 2 0 237.347 0.054 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634744016 344164578 /nfs/dbraw/zinc/16/45/78/344164578.db2.gz LISJGIXEQJODSM-JULQROHOSA-N 2 0 239.363 0.428 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634744074 344164764 /nfs/dbraw/zinc/16/47/64/344164764.db2.gz MWSLPTYDVMJODF-JLLWLGSASA-N 2 0 225.336 0.182 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000130387979 344134718 /nfs/dbraw/zinc/13/47/18/344134718.db2.gz VNDVEHAONHEKRH-CYBMUJFWSA-N 2 0 249.358 0.972 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130556819 344148138 /nfs/dbraw/zinc/14/81/38/344148138.db2.gz ZMLYDHBTEYQVGX-GMTAPVOTSA-N 2 0 227.352 0.665 20 0 BCADRP CC[C@@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000130571596 344149352 /nfs/dbraw/zinc/14/93/52/344149352.db2.gz VTBMFLYHYNPSID-SNVBAGLBSA-N 2 0 236.319 0.819 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000130580596 344149851 /nfs/dbraw/zinc/14/98/51/344149851.db2.gz CSDXONQYWIVISF-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000130604406 344150731 /nfs/dbraw/zinc/15/07/31/344150731.db2.gz MFJJBKSXMMPTFK-FXPVBKGRSA-N 2 0 225.336 0.465 20 0 BCADRP C(C[NH2+]C1CCCC1)CN1CC[NH2+]CC1 ZINC000129784940 344215817 /nfs/dbraw/zinc/21/58/17/344215817.db2.gz UNNSBDJXWLRRGB-UHFFFAOYSA-N 2 0 211.353 0.814 20 0 BCADRP CC(C)([NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634749595 344193041 /nfs/dbraw/zinc/19/30/41/344193041.db2.gz AAOHLGRUMDEOTF-TXEJJXNPSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1CCC[NH2+]1)C2 ZINC000634750107 344193207 /nfs/dbraw/zinc/19/32/07/344193207.db2.gz NGVNBPHQGPSROH-RTXFEEFZSA-N 2 0 237.347 0.196 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752495 344203500 /nfs/dbraw/zinc/20/35/00/344203500.db2.gz MYXAIHVBAJISEO-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)[C@H](C)[NH3+] ZINC000634761611 344252331 /nfs/dbraw/zinc/25/23/31/344252331.db2.gz FOLAMFMPLYEXSC-VWYCJHECSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)([NH3+])CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000309301227 259374643 /nfs/dbraw/zinc/37/46/43/259374643.db2.gz UBINYXNDPNLCDQ-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000634765382 344276651 /nfs/dbraw/zinc/27/66/51/344276651.db2.gz QPCIHIALCXAWMP-GMTAPVOTSA-N 2 0 239.363 0.618 20 0 BCADRP O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)C1CC[NH2+]CC1 ZINC000634765372 344276706 /nfs/dbraw/zinc/27/67/06/344276706.db2.gz QKJVLTLHAZIXJY-YPMHNXCESA-N 2 0 237.347 0.244 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000634765610 344276789 /nfs/dbraw/zinc/27/67/89/344276789.db2.gz XHTHNPUIUYGZMR-DCQANWLSSA-N 2 0 237.347 0.372 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768274 344279966 /nfs/dbraw/zinc/27/99/66/344279966.db2.gz DFDPSQFTWFKATK-BFLSOPEQSA-N 2 0 225.336 0.228 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634770022 344283869 /nfs/dbraw/zinc/28/38/69/344283869.db2.gz WRUSRRBLZCZZMF-UMNHJUIQSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000131621988 344315765 /nfs/dbraw/zinc/31/57/65/344315765.db2.gz BMPGNSLGHPWLAF-GFCCVEGCSA-N 2 0 235.331 0.282 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]([NH3+])CCSC)C1 ZINC000131774841 344333861 /nfs/dbraw/zinc/33/38/61/344333861.db2.gz FHYGREVZVFTNOS-VHSXEESVSA-N 2 0 245.392 0.277 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C1CC[NH2+]CC1 ZINC000131865327 344355158 /nfs/dbraw/zinc/35/51/58/344355158.db2.gz GEBFOMROAPOGTP-UHFFFAOYSA-N 2 0 227.352 0.620 20 0 BCADRP COC(=O)CCCC[N@H+](C)CCC[NH3+] ZINC000600702911 344359846 /nfs/dbraw/zinc/35/98/46/344359846.db2.gz IVRNZOQVPGPXEY-UHFFFAOYSA-N 2 0 202.298 0.610 20 0 BCADRP COC(=O)CCCC[NH2+]CC1([NH3+])CCC1 ZINC000600709642 344360659 /nfs/dbraw/zinc/36/06/59/344360659.db2.gz OWNXLRHQIDPBMH-UHFFFAOYSA-N 2 0 214.309 0.801 20 0 BCADRP COC(=O)CCCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000600712355 344361576 /nfs/dbraw/zinc/36/15/76/344361576.db2.gz XFQAKVJPZHCPOU-WDEREUQCSA-N 2 0 228.336 0.999 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000092949838 344306069 /nfs/dbraw/zinc/30/60/69/344306069.db2.gz PQDZXODDABFSBV-GHMZBOCLSA-N 2 0 241.379 0.688 20 0 BCADRP C[C@H]1C[C@H](NC(=O)CCC[NH3+])CC[N@@H+]1C ZINC000132972347 344310266 /nfs/dbraw/zinc/31/02/66/344310266.db2.gz AITRGLNQLWBZBM-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H](C(=O)NCC[C@@H]1CCC[NH2+]C1)C1C[NH2+]C1 ZINC000584290243 344425100 /nfs/dbraw/zinc/42/51/00/344425100.db2.gz NOSANBXMOFMOIS-MNOVXSKESA-N 2 0 239.363 0.348 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000584290898 344425945 /nfs/dbraw/zinc/42/59/45/344425945.db2.gz NPRAKCXFCXYDQK-HBNTYKKESA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000584290897 344426011 /nfs/dbraw/zinc/42/60/11/344426011.db2.gz NPRAKCXFCXYDQK-GMTAPVOTSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000584290955 344426161 /nfs/dbraw/zinc/42/61/61/344426161.db2.gz QWPXOWASVWKJQR-NXEZZACHSA-N 2 0 245.392 0.325 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C1CC[NH+](C)CC1 ZINC000236796933 344402942 /nfs/dbraw/zinc/40/29/42/344402942.db2.gz JFYKKCDNWGJCPF-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000236826560 344405746 /nfs/dbraw/zinc/40/57/46/344405746.db2.gz HFQKJMFNCBEQRD-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)CCC[NH3+] ZINC000236825415 344406506 /nfs/dbraw/zinc/40/65/06/344406506.db2.gz DUTULJCKJDZMPU-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)CC[NH2+]C ZINC000041680212 344439775 /nfs/dbraw/zinc/43/97/75/344439775.db2.gz FVTUBXVCSQXTKV-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP C[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1C[NH3+] ZINC000380836387 344442790 /nfs/dbraw/zinc/44/27/90/344442790.db2.gz RRJNUHUBKHMGNS-GHMZBOCLSA-N 2 0 223.324 0.195 20 0 BCADRP Cc1c[nH]c(CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)n1 ZINC000628291868 347051881 /nfs/dbraw/zinc/05/18/81/347051881.db2.gz YDELSNOARHYGCG-QWRGUYRKSA-N 2 0 220.320 0.854 20 0 BCADRP CSC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000127447290 344477176 /nfs/dbraw/zinc/47/71/76/344477176.db2.gz MUWNALJMKOMTBH-MNOVXSKESA-N 2 0 232.393 0.784 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000037481301 344508936 /nfs/dbraw/zinc/50/89/36/344508936.db2.gz MCZAQVOSFOIWII-LBPRGKRZSA-N 2 0 227.352 0.668 20 0 BCADRP CC[C@H](C[NH2+]C[C@@H](O)CN(C)C1CC1)OC ZINC000381540108 344517574 /nfs/dbraw/zinc/51/75/74/344517574.db2.gz IIBHURLRDQRBEM-VXGBXAGGSA-N 2 0 230.352 0.456 20 0 BCADRP CSCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282229 344517591 /nfs/dbraw/zinc/51/75/91/344517591.db2.gz LDCKZDHVCCAMBL-AOOOYVTPSA-N 2 0 200.351 0.891 20 0 BCADRP CSCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000085282231 344517640 /nfs/dbraw/zinc/51/76/40/344517640.db2.gz LDCKZDHVCCAMBL-UWVGGRQHSA-N 2 0 200.351 0.891 20 0 BCADRP C[C@@H](NC(=O)C[C@H](C)C1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000573844004 344532254 /nfs/dbraw/zinc/53/22/54/344532254.db2.gz GZLCZXVVOVASLJ-GARJFASQSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@H](CC(=O)N[C@@H](C)[C@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000573844006 344532295 /nfs/dbraw/zinc/53/22/95/344532295.db2.gz GZLCZXVVOVASLJ-VWYCJHECSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@H](CC(=O)N[C@H](C)[C@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000573844005 344532438 /nfs/dbraw/zinc/53/24/38/344532438.db2.gz GZLCZXVVOVASLJ-OUAUKWLOSA-N 2 0 241.379 0.864 20 0 BCADRP [NH3+]C1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000382004748 347054323 /nfs/dbraw/zinc/05/43/23/347054323.db2.gz KQWWNQDAPZDNLY-CMPLNLGQSA-N 2 0 212.337 0.961 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(C)C1CC[NH+](C)CC1 ZINC000044793729 344547932 /nfs/dbraw/zinc/54/79/32/344547932.db2.gz NXAIRWKZSNGWOJ-VIFPVBQESA-N 2 0 213.325 0.134 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC([NH2+]C)CC1 ZINC000577867490 344639535 /nfs/dbraw/zinc/63/95/35/344639535.db2.gz DCDHKEOBRMOPMV-VXGBXAGGSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC([NH2+]C)CC1 ZINC000577867489 344639732 /nfs/dbraw/zinc/63/97/32/344639732.db2.gz DCDHKEOBRMOPMV-RYUDHWBXSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000139799738 344716634 /nfs/dbraw/zinc/71/66/34/344716634.db2.gz KLWLCFKLQPMCHP-ONGXEEELSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000684172780 488271576 /nfs/dbraw/zinc/27/15/76/488271576.db2.gz PAUNXOSRZCATSG-UHFFFAOYSA-N 2 0 239.363 0.491 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]([NH3+])CCSC ZINC000309468790 347070540 /nfs/dbraw/zinc/07/05/40/347070540.db2.gz QNJZSCIQXJTOCL-VIFPVBQESA-N 2 0 233.381 0.183 20 0 BCADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3COC[C@H]3O)CC[C@@H]21 ZINC000463105580 530059039 /nfs/dbraw/zinc/05/90/39/530059039.db2.gz HCJCTDSGZZUSMI-MROQNXINSA-N 2 0 240.347 0.162 20 0 BCADRP CNC(=O)CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860295 344786062 /nfs/dbraw/zinc/78/60/62/344786062.db2.gz QUWHKOPMHCEQGD-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000562981448 323077882 /nfs/dbraw/zinc/07/78/82/323077882.db2.gz LYIFCZNSGCMAIH-VWYCJHECSA-N 2 0 227.352 0.380 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C[C@H](C)[NH3+] ZINC000309362208 537865501 /nfs/dbraw/zinc/86/55/01/537865501.db2.gz APWHNTAVOXWLBY-IVZWLZJFSA-N 2 0 213.325 0.452 20 0 BCADRP CC1(NC(=O)c2ccnc(C[NH3+])c2)CC[NH2+]CC1 ZINC000583376131 344851855 /nfs/dbraw/zinc/85/18/55/344851855.db2.gz XITQECDTCWCPAM-UHFFFAOYSA-N 2 0 248.330 0.412 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C[C@H](C)[NH3+])C1 ZINC000309364859 537866311 /nfs/dbraw/zinc/86/63/11/537866311.db2.gz BBHPGCCUFCCGIK-AEJSXWLSSA-N 2 0 213.325 0.310 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000582127379 344898100 /nfs/dbraw/zinc/89/81/00/344898100.db2.gz SZSFOLLGMNJICO-WOPDTQHZSA-N 2 0 230.352 0.314 20 0 BCADRP COC[C@@H](C)C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000583421820 344934325 /nfs/dbraw/zinc/93/43/25/344934325.db2.gz UKNNWAWLXIVZOG-QWHCGFSZSA-N 2 0 244.379 0.705 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250369731 192369770 /nfs/dbraw/zinc/36/97/70/192369770.db2.gz SPFAJLMDESRIEH-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]CCCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000044428464 345061565 /nfs/dbraw/zinc/06/15/65/345061565.db2.gz QGLLFVIGFYLIPG-SNVBAGLBSA-N 2 0 213.325 0.231 20 0 BCADRP C[N@H+](C[C@@H](O)CNC1CC[NH+](C)CC1)C1CC1 ZINC000310430733 259382520 /nfs/dbraw/zinc/38/25/20/259382520.db2.gz SPVPHGLQGPEFSJ-ZDUSSCGKSA-N 2 0 241.379 0.125 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000155695438 345096811 /nfs/dbraw/zinc/09/68/11/345096811.db2.gz PVXFZGHFFQRGIC-UMNHJUIQSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)[C@@H](C(=O)N(C)CC[NH+](C)C)[NH+](C)C ZINC000155855604 345108103 /nfs/dbraw/zinc/10/81/03/345108103.db2.gz NAXFGOZBNOWIQJ-NSHDSACASA-N 2 0 229.368 0.593 20 0 BCADRP CC[C@@H]1CN(CC23CC(C2)C[NH2+]3)CC[C@H]1[NH3+] ZINC000634990872 345173062 /nfs/dbraw/zinc/17/30/62/345173062.db2.gz GKXCDNJTFJRIIN-QZQSVVMZSA-N 2 0 223.364 0.798 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000634990930 345174161 /nfs/dbraw/zinc/17/41/61/345174161.db2.gz IINVPHOGRKUEJO-GRYCIOLGSA-N 2 0 213.369 0.900 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1CC12CC(C1)C[NH2+]2 ZINC000634991480 345177775 /nfs/dbraw/zinc/17/77/75/345177775.db2.gz GHVGMNLPEGNZJA-JYBOHDQNSA-N 2 0 209.337 0.408 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000634991744 345178535 /nfs/dbraw/zinc/17/85/35/345178535.db2.gz QAENKUGTNNXRAY-SDDRHHMPSA-N 2 0 213.369 0.886 20 0 BCADRP CN(CC(C)(C)C[NH3+])CC12CC(C1)C[NH2+]2 ZINC000634991997 345179151 /nfs/dbraw/zinc/17/91/51/345179151.db2.gz ZHNNXKGZMLNNJZ-UHFFFAOYSA-N 2 0 211.353 0.655 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000634991895 345179370 /nfs/dbraw/zinc/17/93/70/345179370.db2.gz VRHBXWGRQHSTFT-QJPTWQEYSA-N 2 0 213.369 0.886 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634991929 345179374 /nfs/dbraw/zinc/17/93/74/345179374.db2.gz WYAWQJIZZCODQD-VOBJUBJWSA-N 2 0 209.337 0.408 20 0 BCADRP C[C@@H]1CN(CC23CC(C2)C[NH2+]3)[C@H](C)C[NH2+]1 ZINC000634994814 345182433 /nfs/dbraw/zinc/18/24/33/345182433.db2.gz NLQZOJAPAUDETE-QYNFOATHSA-N 2 0 209.337 0.421 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1CC12CC(C1)C[NH2+]2 ZINC000634995021 345183461 /nfs/dbraw/zinc/18/34/61/345183461.db2.gz SJULDPOZHCYDRG-CPCZMJQVSA-N 2 0 223.364 0.942 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1CC12CC(C1)C[NH2+]2 ZINC000634995022 345183657 /nfs/dbraw/zinc/18/36/57/345183657.db2.gz SJULDPOZHCYDRG-OTTFEQOBSA-N 2 0 223.364 0.942 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000634995395 345184173 /nfs/dbraw/zinc/18/41/73/345184173.db2.gz CQEIZDIYNPFWCP-YZRBJQDESA-N 2 0 209.337 0.469 20 0 BCADRP CC(C)[C@H](C[NH3+])CN[C@H](CC[NH3+])C(F)F ZINC000634995424 345184552 /nfs/dbraw/zinc/18/45/52/345184552.db2.gz DQGFFDPZAYHKMC-RKDXNWHRSA-N 2 0 223.311 0.789 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000634995815 345185950 /nfs/dbraw/zinc/18/59/50/345185950.db2.gz PNJDBKHBOFUSHK-VOBJUBJWSA-N 2 0 209.337 0.326 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000634995977 345186015 /nfs/dbraw/zinc/18/60/15/345186015.db2.gz VJYWNDZBVHZBMN-UZEXVOJHSA-N 3 0 209.337 0.455 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NCC12CC(C1)C[NH2+]2 ZINC000634995881 345186042 /nfs/dbraw/zinc/18/60/42/345186042.db2.gz RSYKUIPGAUAFKA-YZRBJQDESA-N 2 0 211.353 0.701 20 0 BCADRP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000634996089 345186968 /nfs/dbraw/zinc/18/69/68/345186968.db2.gz ZDRCMUVDMSDUPI-IJLUTSLNSA-N 3 0 213.369 0.934 20 0 BCADRP CCCCN(C)CC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634961121 345135710 /nfs/dbraw/zinc/13/57/10/345135710.db2.gz LNQYXXNPHCZTFR-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@@H]1CC[C@@H](CNCC23CC(C2)C[NH2+]3)O1 ZINC000634996229 345187585 /nfs/dbraw/zinc/18/75/85/345187585.db2.gz DKGRNOYLOFZMQG-ZYGVAYEYSA-N 2 0 210.321 0.896 20 0 BCADRP OCC1(NCC23CC(C2)C[NH2+]3)CCSCC1 ZINC000634996189 345187707 /nfs/dbraw/zinc/18/77/07/345187707.db2.gz CDFNMMSHVYSIIH-UHFFFAOYSA-N 2 0 242.388 0.586 20 0 BCADRP CC(C)[C@H](C[NH3+])CN(C)CC(C)(C)[NH3+] ZINC000634996541 345187922 /nfs/dbraw/zinc/18/79/22/345187922.db2.gz NEPNHMLRDPLKAG-SNVBAGLBSA-N 2 0 201.358 0.886 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000310483930 259383103 /nfs/dbraw/zinc/38/31/03/259383103.db2.gz DNZRNGMKVKKVCT-UTUOFQBUSA-N 2 0 244.379 0.702 20 0 BCADRP CC(C)[C@H](C[NH3+])CNCC12CC(C1)C[NH2+]2 ZINC000634996421 345188364 /nfs/dbraw/zinc/18/83/64/345188364.db2.gz JFRMVSKGKIMMJJ-MOENNCHZSA-N 2 0 211.353 0.559 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CCCO[C@H](C[NH3+])C1 ZINC000634996579 345188627 /nfs/dbraw/zinc/18/86/27/345188627.db2.gz OIKGNHTWLUKEMF-VXGBXAGGSA-N 2 0 229.368 0.267 20 0 BCADRP CC[NH+](CC)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000635057917 345231555 /nfs/dbraw/zinc/23/15/55/345231555.db2.gz GVJRZMJBIYPMCD-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP C[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635068526 345237412 /nfs/dbraw/zinc/23/74/12/345237412.db2.gz JSWJBPLMNXSAHP-SNVBAGLBSA-N 2 0 213.325 0.006 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635071171 345239144 /nfs/dbraw/zinc/23/91/44/345239144.db2.gz ZIGZORWUOFDCIU-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635071172 345239493 /nfs/dbraw/zinc/23/94/93/345239493.db2.gz ZIGZORWUOFDCIU-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000449058693 201800732 /nfs/dbraw/zinc/80/07/32/201800732.db2.gz LIMJMDXNHOGMKR-QJPTWQEYSA-N 2 0 239.363 0.844 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000449080886 201800766 /nfs/dbraw/zinc/80/07/66/201800766.db2.gz ADFQAGOALPHVTK-VHSXEESVSA-N 2 0 227.352 0.489 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635111640 345249025 /nfs/dbraw/zinc/24/90/25/345249025.db2.gz KJPBQYFMEVPBFX-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](C(=O)NCCC[NH+]1CCCC1)[NH+](C)C ZINC000635129420 345253479 /nfs/dbraw/zinc/25/34/79/345253479.db2.gz SGYPZHRJMUQMRB-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](C)N1CC12CC(C1)C[NH2+]2 ZINC000634993703 345192045 /nfs/dbraw/zinc/19/20/45/345192045.db2.gz CIYPHLAMSVSJHA-ZYANWLCNSA-N 2 0 209.337 0.421 20 0 BCADRP c1cn([C@H]2CCCN(CC34CC(C3)C[NH2+]4)C2)nn1 ZINC000634996720 345192159 /nfs/dbraw/zinc/19/21/59/345192159.db2.gz RWRHLOVDWRWJFM-CPCZMJQVSA-N 2 0 247.346 0.667 20 0 BCADRP C[C@H]1CCN(CC23CC(C2)C[NH2+]3)[C@@H]1CO ZINC000634994102 345192895 /nfs/dbraw/zinc/19/28/95/345192895.db2.gz QLDYXIITNRMYNA-UZEXVOJHSA-N 2 0 210.321 0.441 20 0 BCADRP C[C@H](C(=O)NCCC[NH+]1CCCCC1)[NH+](C)C ZINC000635128914 345253788 /nfs/dbraw/zinc/25/37/88/345253788.db2.gz KJMFHPKIJVYDLD-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)CC[N@@H+]1C ZINC000565042188 345193957 /nfs/dbraw/zinc/19/39/57/345193957.db2.gz XTJUMPKPOBKWKL-NOHGZBONSA-N 2 0 237.347 0.337 20 0 BCADRP CC(C)[C@@H](C[NH3+])CNCC1([NH3+])CCOCC1 ZINC000634997137 345193969 /nfs/dbraw/zinc/19/39/69/345193969.db2.gz DRXRVQDJPFOLPG-NSHDSACASA-N 2 0 229.368 0.315 20 0 BCADRP CN1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000600964993 345196684 /nfs/dbraw/zinc/19/66/84/345196684.db2.gz BUXIDIJNOXTXKF-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1C[NH3+] ZINC000634998787 345199499 /nfs/dbraw/zinc/19/94/99/345199499.db2.gz LCBVMCIILISRRL-GRYCIOLGSA-N 2 0 212.337 0.940 20 0 BCADRP CC(C)[C@H](C[NH3+])CN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000634997888 345202848 /nfs/dbraw/zinc/20/28/48/345202848.db2.gz VLAYDZFDBOSTOO-UTUOFQBUSA-N 2 0 213.369 0.947 20 0 BCADRP C[C@]1(CN2CCC([NH2+]CCO)CC2)CC[NH2+]C1 ZINC000635002222 345204212 /nfs/dbraw/zinc/20/42/12/345204212.db2.gz LDVWWWMTBSYBFV-ZDUSSCGKSA-N 3 0 241.379 0.032 20 0 BCADRP CCC[C@H](CCO)[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000635004247 345207747 /nfs/dbraw/zinc/20/77/47/345207747.db2.gz NUMMRYONIFJZEE-FDYHWXHSSA-N 2 0 244.379 0.879 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000449078815 201803073 /nfs/dbraw/zinc/80/30/73/201803073.db2.gz YTYOOZCJEMZDLV-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000449070637 201803252 /nfs/dbraw/zinc/80/32/52/201803252.db2.gz DMVVTDUUODQNLP-IJLUTSLNSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010502 345212750 /nfs/dbraw/zinc/21/27/50/345212750.db2.gz MSMAMCPWNVVGGA-SNVBAGLBSA-N 2 0 247.342 0.686 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012118 345214536 /nfs/dbraw/zinc/21/45/36/345214536.db2.gz QVQWLVFADUFIDY-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012121 345214736 /nfs/dbraw/zinc/21/47/36/345214736.db2.gz QVQWLVFADUFIDY-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH+]2CCCC2)C1 ZINC000635134215 345255264 /nfs/dbraw/zinc/25/52/64/345255264.db2.gz CFMOVPFYLKYZOI-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH+]2CCCC2)C1 ZINC000635134208 345255344 /nfs/dbraw/zinc/25/53/44/345255344.db2.gz CFMOVPFYLKYZOI-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](C)COC)C1 ZINC000053034519 345338577 /nfs/dbraw/zinc/33/85/77/345338577.db2.gz UZTBHLPWMZOPCH-GHMZBOCLSA-N 2 0 200.326 0.810 20 0 BCADRP CNC(=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158636399 345359140 /nfs/dbraw/zinc/35/91/40/345359140.db2.gz DEUJFZIJLSHDON-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000158364409 345326784 /nfs/dbraw/zinc/32/67/84/345326784.db2.gz NFQDIYRTZKPSDR-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000635506580 345405829 /nfs/dbraw/zinc/40/58/29/345405829.db2.gz CRWNZKCJNRBOLB-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000449120976 201815439 /nfs/dbraw/zinc/81/54/39/201815439.db2.gz GGVJLNZVUITRAU-WCBMZHEXSA-N 2 0 213.325 0.226 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H](C)[NH+](C)C ZINC000635502460 345403022 /nfs/dbraw/zinc/40/30/22/345403022.db2.gz GJOWARLPSVGONC-GFCCVEGCSA-N 2 0 243.395 0.983 20 0 BCADRP C[C@H](C[NH3+])NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000082241805 345497654 /nfs/dbraw/zinc/49/76/54/345497654.db2.gz CIBLYKQFBCMEGR-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP COC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000068891766 349930265 /nfs/dbraw/zinc/93/02/65/349930265.db2.gz AQKKJQGYFTXIMQ-PWSUYJOCSA-N 2 0 228.336 0.068 20 0 BCADRP C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000635540580 345519895 /nfs/dbraw/zinc/51/98/95/345519895.db2.gz MYGLKAZTIPWQIC-MNOVXSKESA-N 2 0 227.352 0.395 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000563087823 323091264 /nfs/dbraw/zinc/09/12/64/323091264.db2.gz SOHBDUAREJJDRL-WCQYABFASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000567848387 323092639 /nfs/dbraw/zinc/09/26/39/323092639.db2.gz ACJFRTACTKVZNK-SCZZXKLOSA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+]CC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000212832717 345740443 /nfs/dbraw/zinc/74/04/43/345740443.db2.gz ZXZZKKWBBYOWLA-NSHDSACASA-N 2 0 225.336 0.422 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635559553 345760334 /nfs/dbraw/zinc/76/03/34/345760334.db2.gz TWTIINYJDPEKGC-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000168018481 345723172 /nfs/dbraw/zinc/72/31/72/345723172.db2.gz RIVOUFVXWBYWLL-UHFFFAOYSA-N 3 0 211.353 0.670 20 0 BCADRP OCC[N@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000212455700 345735215 /nfs/dbraw/zinc/73/52/15/345735215.db2.gz VJGGDCNJLWURQA-NSHDSACASA-N 2 0 212.337 0.833 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC000600986348 345772038 /nfs/dbraw/zinc/77/20/38/345772038.db2.gz WGSLNSHGIHTLNZ-GFCCVEGCSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H]1CN(C(=O)CCCC[NH3+])C[C@H](C)[NH2+]1 ZINC000381401414 345803992 /nfs/dbraw/zinc/80/39/92/345803992.db2.gz QEQGWMNBPMKGJQ-AOOOYVTPSA-N 2 0 213.325 0.324 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635625710 345899242 /nfs/dbraw/zinc/89/92/42/345899242.db2.gz DOKMKFMCWCXHLV-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000635633429 345911738 /nfs/dbraw/zinc/91/17/38/345911738.db2.gz FWNDDSNFALDPSY-UTUOFQBUSA-N 2 0 239.363 0.632 20 0 BCADRP CCCN(C(=O)C1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000178407970 345915036 /nfs/dbraw/zinc/91/50/36/345915036.db2.gz NNOZAWBJVOJERU-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)NCC[C@@H]1CC[NH2+]C1 ZINC000178957067 345918658 /nfs/dbraw/zinc/91/86/58/345918658.db2.gz FVOLEZUXXPEFID-WDEREUQCSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H](C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)[NH+](C)C ZINC000635677451 345974606 /nfs/dbraw/zinc/97/46/06/345974606.db2.gz SKSUMVOXBFYTAB-HOSYDEDBSA-N 2 0 239.363 0.535 20 0 BCADRP CC(C)[C@@H](C(=O)NCC[NH+]1CCCC1)[NH+](C)C ZINC000601043349 346004725 /nfs/dbraw/zinc/00/47/25/346004725.db2.gz IRKGQVDJFLOTCH-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](C(=O)N1C[C@H](C)N(C)C[C@@H]1C)[NH+](C)C ZINC000635756717 346051166 /nfs/dbraw/zinc/05/11/66/346051166.db2.gz ICHKKQPBEYPIFO-GARJFASQSA-N 2 0 227.352 0.488 20 0 BCADRP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)C1=CC[N@H+](C)CC1 ZINC000635786033 346068832 /nfs/dbraw/zinc/06/88/32/346068832.db2.gz GCYLUHOJUNQZJR-GHMZBOCLSA-N 2 0 239.363 0.703 20 0 BCADRP C[C@@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000051821955 346085644 /nfs/dbraw/zinc/08/56/44/346085644.db2.gz XWUXIIDLHNICHO-LLVKDONJSA-N 2 0 200.326 0.785 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH3+] ZINC000449372411 201889448 /nfs/dbraw/zinc/88/94/48/201889448.db2.gz HQBHPIZUOWLZRT-CMPLNLGQSA-N 2 0 235.331 0.848 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000571050237 323105497 /nfs/dbraw/zinc/10/54/97/323105497.db2.gz PJFMRSHYKNRBLX-TXEJJXNPSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH+](C)C ZINC000635953863 346123034 /nfs/dbraw/zinc/12/30/34/346123034.db2.gz NTDHQWDUTMNAEL-RYUDHWBXSA-N 2 0 241.379 0.642 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)[NH+](C)C ZINC000635956503 346131663 /nfs/dbraw/zinc/13/16/63/346131663.db2.gz YLYFLQNXPHPMIS-MXWKQRLJSA-N 2 0 225.336 0.099 20 0 BCADRP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)[C@@H]1CCCO1 ZINC000571058031 323106091 /nfs/dbraw/zinc/10/60/91/323106091.db2.gz KPGKRGGBUKXLOR-AGIUHOORSA-N 2 0 244.379 0.846 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000449402235 201904170 /nfs/dbraw/zinc/90/41/70/201904170.db2.gz QEVXDAVEUSGCOX-QXEWZRGKSA-N 2 0 225.336 0.241 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000636012686 346153922 /nfs/dbraw/zinc/15/39/22/346153922.db2.gz OKVYAFOAZZHYGQ-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H](C(=O)NCC[C@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000636020229 346158423 /nfs/dbraw/zinc/15/84/23/346158423.db2.gz RUJWCXJKGVLNON-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP CCOC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000069278660 349943934 /nfs/dbraw/zinc/94/39/34/349943934.db2.gz ZNSGGQOKJAVCRC-OLZOCXBDSA-N 2 0 244.379 0.705 20 0 BCADRP C[C@@]1(C(=O)NCC[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000152685959 346266908 /nfs/dbraw/zinc/26/69/08/346266908.db2.gz FUDQYJSAUNELJO-DGCLKSJQSA-N 2 0 239.363 0.492 20 0 BCADRP [NH3+]CCCCC(=O)NCC[NH+]1CCCCC1 ZINC000069733916 349956389 /nfs/dbraw/zinc/95/63/89/349956389.db2.gz BEIFRYACAHUPJP-UHFFFAOYSA-N 2 0 227.352 0.718 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)CCCC[NH3+] ZINC000069734229 349956412 /nfs/dbraw/zinc/95/64/12/349956412.db2.gz XMRVTLZAOHWCBS-UHFFFAOYSA-N 2 0 215.341 0.572 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H](C)[NH+](C)C)CC[N@@H+]1C ZINC000636337828 346402236 /nfs/dbraw/zinc/40/22/36/346402236.db2.gz BSVJXPUDEDJCTM-NWDGAFQWSA-N 2 0 241.379 0.735 20 0 BCADRP C[NH2+]CCN(C)C(=O)CC[NH2+]C(C)C ZINC000069803086 349960641 /nfs/dbraw/zinc/96/06/41/349960641.db2.gz RHNVHHGDHUDTMZ-UHFFFAOYSA-N 2 0 201.314 0.052 20 0 BCADRP C[C@@H]1CC[N@H+](CCc2cncn2C)C[C@@H]1C[NH3+] ZINC000641797958 362738388 /nfs/dbraw/zinc/73/83/88/362738388.db2.gz AXXRPFLJMCBUHV-NEPJUHHUSA-N 3 0 236.363 0.879 20 0 BCADRP CN(C(=O)C[NH+]1CCC(CC[NH3+])CC1)C1CC1 ZINC000070188131 349965782 /nfs/dbraw/zinc/96/57/82/349965782.db2.gz JSZONNKRUSURAY-UHFFFAOYSA-N 2 0 239.363 0.668 20 0 BCADRP Cn1cncc1CC[NH+]1CCC(C)([NH3+])CC1 ZINC000641799236 362747297 /nfs/dbraw/zinc/74/72/97/362747297.db2.gz PDPRNSXSLLQQTO-UHFFFAOYSA-N 2 0 222.336 0.776 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000161031345 346473503 /nfs/dbraw/zinc/47/35/03/346473503.db2.gz IZAWSQWZDAUOGW-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]([NH3+])CCC(=O)Nc1ccncc1O ZINC000580831827 346474089 /nfs/dbraw/zinc/47/40/89/346474089.db2.gz HZRUUMNURIFDEH-ZETCQYMHSA-N 2 0 209.249 0.275 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000186342139 346504683 /nfs/dbraw/zinc/50/46/83/346504683.db2.gz KYIFZCLAKNOQJE-UHFFFAOYSA-N 2 0 245.326 0.795 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000580071647 346512080 /nfs/dbraw/zinc/51/20/80/346512080.db2.gz CVRVXDDQOIWOLJ-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000580076172 346513362 /nfs/dbraw/zinc/51/33/62/346513362.db2.gz VMIQDQLNCBEUDH-OUAUKWLOSA-N 2 0 225.336 0.372 20 0 BCADRP CCCn1ncnc1CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000641800626 362751901 /nfs/dbraw/zinc/75/19/01/362751901.db2.gz CAKDSRNPJZIKNL-UWVGGRQHSA-N 2 0 237.351 0.904 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000641801041 362753062 /nfs/dbraw/zinc/75/30/62/362753062.db2.gz LWYOTVWQMJKDGV-GMTAPVOTSA-N 3 0 239.363 0.223 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000641801243 362754828 /nfs/dbraw/zinc/75/48/28/362754828.db2.gz OJFFAEMXXHNNBB-MXWKQRLJSA-N 3 0 211.353 0.701 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000641801242 362755531 /nfs/dbraw/zinc/75/55/31/362755531.db2.gz OJFFAEMXXHNNBB-HBNTYKKESA-N 3 0 211.353 0.701 20 0 BCADRP C[C@H]1CCC[N@H+](CCNC(=O)CCCC[NH3+])C1 ZINC000577103639 365817907 /nfs/dbraw/zinc/81/79/07/365817907.db2.gz TUSAUHLYXDYVTD-LBPRGKRZSA-N 2 0 241.379 0.964 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCOC1CCOCC1 ZINC000641801725 362756572 /nfs/dbraw/zinc/75/65/72/362756572.db2.gz UBCPUSCYFJOTHC-VXGBXAGGSA-N 2 0 242.363 0.897 20 0 BCADRP C[C@@H]1CN(CC[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)CCO1 ZINC000641801570 362756855 /nfs/dbraw/zinc/75/68/55/362756855.db2.gz SQUCWGUHBXBUGO-WOPDTQHZSA-N 2 0 241.379 0.423 20 0 BCADRP CCN(C)C(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802288 362758737 /nfs/dbraw/zinc/75/87/37/362758737.db2.gz ITXQZIRXHGXMOK-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000641802300 362760324 /nfs/dbraw/zinc/76/03/24/362760324.db2.gz IYIAIEVNFGOEAF-IJLUTSLNSA-N 2 0 242.363 0.897 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186840048 346539148 /nfs/dbraw/zinc/53/91/48/346539148.db2.gz SPYIKTDHSXWDMQ-ZJUUUORDSA-N 2 0 213.325 0.100 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186868921 346541437 /nfs/dbraw/zinc/54/14/37/346541437.db2.gz KOGRTRQZDRGLRK-GUBZILKMSA-N 2 0 245.392 0.181 20 0 BCADRP CC[NH2+]CCCNC(=O)CCCC[NH3+] ZINC000380225236 346636404 /nfs/dbraw/zinc/63/64/04/346636404.db2.gz KCHNRQXOYXPTRL-UHFFFAOYSA-N 2 0 201.314 0.231 20 0 BCADRP CC[N@H+](CCNC(=O)CC[NH2+]C(C)C)C1CC1 ZINC000167205933 346701630 /nfs/dbraw/zinc/70/16/30/346701630.db2.gz RWOCRSSLYHIECL-UHFFFAOYSA-N 2 0 241.379 0.975 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@@H]2COCCO2)CC1 ZINC000038060149 346712453 /nfs/dbraw/zinc/71/24/53/346712453.db2.gz CWESGVUUJBKMFG-GFCCVEGCSA-N 2 0 228.336 0.476 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@H]2COCCO2)CC1 ZINC000038060150 346712573 /nfs/dbraw/zinc/71/25/73/346712573.db2.gz CWESGVUUJBKMFG-LBPRGKRZSA-N 2 0 228.336 0.476 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCCC[NH+]1CCCCC1 ZINC000037476120 346696091 /nfs/dbraw/zinc/69/60/91/346696091.db2.gz OKNNTBIBCZRVSF-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NCC[NH+](CC)CC ZINC000037480420 346697377 /nfs/dbraw/zinc/69/73/77/346697377.db2.gz RGQMCIBQWPNPKL-LLVKDONJSA-N 2 0 229.368 0.962 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000037484943 346700075 /nfs/dbraw/zinc/70/00/75/346700075.db2.gz TWGJYSXRARKWDZ-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH+](C)CC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000589442116 346700853 /nfs/dbraw/zinc/70/08/53/346700853.db2.gz LCGJDKWRZWFVKR-UHFFFAOYSA-N 2 0 248.330 0.292 20 0 BCADRP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310553650 323133283 /nfs/dbraw/zinc/13/32/83/323133283.db2.gz HEHGQRZUHNNBSW-UTUOFQBUSA-N 2 0 239.363 0.395 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH2+][C@H]1C)C1CC1 ZINC000300421206 346745132 /nfs/dbraw/zinc/74/51/32/346745132.db2.gz IZGICFNSEFDINJ-JQWIXIFHSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000577178661 365861998 /nfs/dbraw/zinc/86/19/98/365861998.db2.gz LYXCZQOKCDDFIN-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C[C@]13C[C@H]1C[NH2+]C3)C2 ZINC000622004866 370655038 /nfs/dbraw/zinc/65/50/38/370655038.db2.gz VXKGSTIBTRIKQT-XQHKEYJVSA-N 2 0 221.348 0.409 20 0 BCADRP C[C@H]1C[C@H](C[NH2+]C(C)(C)C(=O)N(C)C)CC[NH2+]1 ZINC000571146957 323136554 /nfs/dbraw/zinc/13/65/54/323136554.db2.gz WAUHRJIQQNPYCM-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000582061784 347156023 /nfs/dbraw/zinc/15/60/23/347156023.db2.gz VBJZLWFNZOJVGB-LNFKQOIKSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000582061787 347156080 /nfs/dbraw/zinc/15/60/80/347156080.db2.gz VBJZLWFNZOJVGB-ZDCRXTMVSA-N 2 0 225.336 0.180 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000582062086 347159021 /nfs/dbraw/zinc/15/90/21/347159021.db2.gz QBFLQEJOPMNKNT-DJLDLDEBSA-N 2 0 249.305 0.603 20 0 BCADRP C[C@@H]1C[N@H+](CCc2cn[nH]c2)C[C@H]1C[NH3+] ZINC000641821675 362771938 /nfs/dbraw/zinc/77/19/38/362771938.db2.gz OIHQGSWQWJWLQJ-MWLCHTKSSA-N 2 0 208.309 0.479 20 0 BCADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(SC)CC1 ZINC000601323472 347205634 /nfs/dbraw/zinc/20/56/34/347205634.db2.gz AQWBZISJWXBCRG-NSHDSACASA-N 2 0 232.393 0.784 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000354574512 187374000 /nfs/dbraw/zinc/37/40/00/187374000.db2.gz GYHKJHGXKHWBOL-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000019480114 347230231 /nfs/dbraw/zinc/23/02/31/347230231.db2.gz VCLGQFZCLYCOTD-WOPDTQHZSA-N 2 0 241.379 0.960 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN[C@@H](C)c1cnn(C)c1 ZINC000310442271 347283207 /nfs/dbraw/zinc/28/32/07/347283207.db2.gz WCTTUXRNAPDSAM-CMPLNLGQSA-N 2 0 240.351 0.383 20 0 BCADRP CC[NH+](CC)CCCNC(=O)C[NH2+]C ZINC000019503486 347336684 /nfs/dbraw/zinc/33/66/84/347336684.db2.gz SRLRCDRAPCHRGK-UHFFFAOYSA-N 2 0 201.314 0.054 20 0 BCADRP CCOCCN1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000252766621 347416267 /nfs/dbraw/zinc/41/62/67/347416267.db2.gz HLWYNHSCDWBJQZ-WDEREUQCSA-N 2 0 216.325 0.461 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000571432006 323144639 /nfs/dbraw/zinc/14/46/39/323144639.db2.gz AHHOAZOIXUCMHU-VHSXEESVSA-N 2 0 225.336 0.372 20 0 BCADRP COC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000053197143 347438507 /nfs/dbraw/zinc/43/85/07/347438507.db2.gz BNMDGABJFWOCDK-WDEREUQCSA-N 2 0 200.326 0.953 20 0 BCADRP C[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000577222089 365888185 /nfs/dbraw/zinc/88/81/85/365888185.db2.gz DRHOVVLZKQJHAN-KATARQTJSA-N 2 0 213.325 0.165 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000571640974 323150542 /nfs/dbraw/zinc/15/05/42/323150542.db2.gz WDBDGXTUHXSZEF-CMPLNLGQSA-N 2 0 239.363 0.620 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000591442542 347662149 /nfs/dbraw/zinc/66/21/49/347662149.db2.gz QYKCTVBINHTXBO-MNOVXSKESA-N 2 0 225.336 0.149 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000591430375 347655365 /nfs/dbraw/zinc/65/53/65/347655365.db2.gz XJQUQMZZFIHZHR-NSHDSACASA-N 2 0 239.363 0.491 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](CC(C)(C)O)CC1 ZINC000082475097 347615094 /nfs/dbraw/zinc/61/50/94/347615094.db2.gz KZTZRZLXMFAHND-SECBINFHSA-N 2 0 200.326 0.817 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH2+]C(C)C ZINC000577269468 365908390 /nfs/dbraw/zinc/90/83/90/365908390.db2.gz NGVPOAUYQJZUDQ-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000343481413 133687191 /nfs/dbraw/zinc/68/71/91/133687191.db2.gz SHYAQUHWOJKWNN-TUAOUCFPSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000335728854 535064644 /nfs/dbraw/zinc/06/46/44/535064644.db2.gz RVVCFNRPMIDKNG-ZJUUUORDSA-N 2 0 225.336 0.039 20 0 BCADRP CO[C@H](C)C[NH+]1CCN(c2ncc[nH]2)CC1 ZINC000577289702 365919510 /nfs/dbraw/zinc/91/95/10/365919510.db2.gz GXMKJJVMAYRMRF-SNVBAGLBSA-N 2 0 224.308 0.567 20 0 BCADRP CCOC(=O)[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000592494273 347787894 /nfs/dbraw/zinc/78/78/94/347787894.db2.gz OJHKUJANJNIRHM-RYUDHWBXSA-N 2 0 240.347 0.871 20 0 BCADRP CC[NH+]1CCC(CNC(=O)CCCC[NH3+])CC1 ZINC000070203580 349977132 /nfs/dbraw/zinc/97/71/32/349977132.db2.gz JMZLTYCQECQETP-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP CC[N@H+](C)C[C@H](O)CNC(C)(C)C[NH+](C)C ZINC000308631009 347930633 /nfs/dbraw/zinc/93/06/33/347930633.db2.gz JKRJUKGJDGIVIN-LLVKDONJSA-N 2 0 231.384 0.229 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000296570209 179324025 /nfs/dbraw/zinc/32/40/25/179324025.db2.gz VYSVGSRSPOEGLM-DGCLKSJQSA-N 2 0 247.342 0.863 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000577392068 365944228 /nfs/dbraw/zinc/94/42/28/365944228.db2.gz LVCJPISKJVZOPJ-GARJFASQSA-N 2 0 242.367 0.506 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000577392069 365944381 /nfs/dbraw/zinc/94/43/81/365944381.db2.gz LVCJPISKJVZOPJ-GMTAPVOTSA-N 2 0 242.367 0.506 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000577404648 365946978 /nfs/dbraw/zinc/94/69/78/365946978.db2.gz NYWSKKHNGDXMSP-CHWSQXEVSA-N 2 0 243.395 0.373 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000368562658 187384193 /nfs/dbraw/zinc/38/41/93/187384193.db2.gz QHLBNSFNUVHUQW-CYBMUJFWSA-N 2 0 239.363 0.716 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368142038 187384483 /nfs/dbraw/zinc/38/44/83/187384483.db2.gz ORROZHGZYQVSPG-SECBINFHSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368379456 187384621 /nfs/dbraw/zinc/38/46/21/187384621.db2.gz UWVMWLFEJBTTAA-IVZWLZJFSA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368389236 187384820 /nfs/dbraw/zinc/38/48/20/187384820.db2.gz VWLDOUVMMYKJEO-VHSXEESVSA-N 2 0 225.336 0.324 20 0 BCADRP CCOC(=O)CC[N@H+](CCC[NH3+])C(C)C ZINC000594583389 348076843 /nfs/dbraw/zinc/07/68/43/348076843.db2.gz KTNUVRZKSVLDDL-UHFFFAOYSA-N 2 0 216.325 0.999 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000295306535 179342005 /nfs/dbraw/zinc/34/20/05/179342005.db2.gz YCDKQEBSWTYXHI-YPMHNXCESA-N 2 0 247.342 0.815 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000294969147 179343812 /nfs/dbraw/zinc/34/38/12/179343812.db2.gz IXUCHUUYLBMRME-YPMHNXCESA-N 2 0 247.342 0.863 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000370740800 187386030 /nfs/dbraw/zinc/38/60/30/187386030.db2.gz OZUMAQZMCKMOHU-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP CC1(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCC1 ZINC000594739302 348110385 /nfs/dbraw/zinc/11/03/85/348110385.db2.gz UINSNXBVYQERJP-GHMZBOCLSA-N 2 0 237.347 0.420 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449554645 201966142 /nfs/dbraw/zinc/96/61/42/201966142.db2.gz OTIJGAFIPHJZRZ-ZTVLKNOQSA-N 2 0 237.347 0.228 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417614888 323177675 /nfs/dbraw/zinc/17/76/75/323177675.db2.gz WFIYALGGKZYEMP-QWRGUYRKSA-N 2 0 244.383 0.753 20 0 BCADRP C[C@H]1C[C@@H]1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000082648664 348241764 /nfs/dbraw/zinc/24/17/64/348241764.db2.gz JDOJVJZCJLDTCU-WDEREUQCSA-N 2 0 225.336 0.006 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C2C[NH2+]C2)C1 ZINC000253181044 348347579 /nfs/dbraw/zinc/34/75/79/348347579.db2.gz UEPRILLIBJGIPC-PWSUYJOCSA-N 2 0 239.363 0.442 20 0 BCADRP O[C@H](C[NH2+]CC1=CCOCC1)C[NH+]1CCCC1 ZINC000397644710 362898038 /nfs/dbraw/zinc/89/80/38/362898038.db2.gz CIEPFSKWAAUDJP-CYBMUJFWSA-N 2 0 240.347 0.379 20 0 BCADRP COC(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000308984116 323183497 /nfs/dbraw/zinc/18/34/97/323183497.db2.gz GAOBHQADWPXZIJ-VHSXEESVSA-N 2 0 212.293 0.091 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CS1 ZINC000397738544 362903276 /nfs/dbraw/zinc/90/32/76/362903276.db2.gz URWDUYDPYKKZPN-IJLUTSLNSA-N 2 0 244.404 0.927 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CS1 ZINC000397738547 362904026 /nfs/dbraw/zinc/90/40/26/362904026.db2.gz URWDUYDPYKKZPN-UTUOFQBUSA-N 2 0 244.404 0.927 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000044802716 187395779 /nfs/dbraw/zinc/39/57/79/187395779.db2.gz RVXNPXUKPQCTBY-QWRGUYRKSA-N 2 0 227.352 0.285 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000595940590 348409506 /nfs/dbraw/zinc/40/95/06/348409506.db2.gz HMGIBJDDBNTKDK-VIFPVBQESA-N 2 0 245.392 0.455 20 0 BCADRP CC(C)=CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595902650 348395453 /nfs/dbraw/zinc/39/54/53/348395453.db2.gz CPAVXWTYRSRMGJ-NWDGAFQWSA-N 2 0 237.347 0.587 20 0 BCADRP C[NH2+]CCC[N@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595905913 348396013 /nfs/dbraw/zinc/39/60/13/348396013.db2.gz XUDPJSGGMFAHQP-AOOOYVTPSA-N 2 0 214.309 0.479 20 0 BCADRP COC(=O)[C@H]1C[C@@H]([N@H+](C)C[C@@H]2CC[NH2+]C2)C1 ZINC000595904551 348396035 /nfs/dbraw/zinc/39/60/35/348396035.db2.gz FPXXTYOBLSDHOF-MXWKQRLJSA-N 2 0 226.320 0.479 20 0 BCADRP COC(=O)[C@H]1C[C@@H](N(C)C[C@@H](C)[NH3+])C1 ZINC000595905181 348396058 /nfs/dbraw/zinc/39/60/58/348396058.db2.gz QBITUGHHAWTRSI-HLTSFMKQSA-N 2 0 200.282 0.217 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000340082696 535075391 /nfs/dbraw/zinc/07/53/91/535075391.db2.gz OAANFDZEGBXUPH-HBNTYKKESA-N 2 0 227.352 0.461 20 0 BCADRP C[NH2+]CCCC(=O)NCC[NH2+]C(C)(C)C ZINC000563081925 348627905 /nfs/dbraw/zinc/62/79/05/348627905.db2.gz WIWVSMUKCDSCCH-UHFFFAOYSA-N 2 0 215.341 0.490 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000308892772 349054739 /nfs/dbraw/zinc/05/47/39/349054739.db2.gz YJDNUXXPHFQHNM-RKDXNWHRSA-N 2 0 201.314 0.086 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCCNC2=O)C1 ZINC000250865008 349180563 /nfs/dbraw/zinc/18/05/63/349180563.db2.gz RCJXWLXIKOHQNH-VWYCJHECSA-N 2 0 225.336 0.515 20 0 BCADRP COC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623516482 362941594 /nfs/dbraw/zinc/94/15/94/362941594.db2.gz UIQLYVGJWHSUIL-WDEREUQCSA-N 2 0 230.352 0.456 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000251703859 349183323 /nfs/dbraw/zinc/18/33/23/349183323.db2.gz XQBVUIIWEPEIPV-DCAQKATOSA-N 2 0 225.336 0.276 20 0 BCADRP C([C@@H]1CCCOC1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000251081676 538034945 /nfs/dbraw/zinc/03/49/45/538034945.db2.gz HDJHWINSFNOYIX-SRVKXCTJSA-N 2 0 210.321 0.564 20 0 BCADRP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]2)[C@@H](C)C[NH2+]1 ZINC000333846349 538035481 /nfs/dbraw/zinc/03/54/81/538035481.db2.gz PELPJWOEVWWNQH-VWYCJHECSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000252614751 349206690 /nfs/dbraw/zinc/20/66/90/349206690.db2.gz YKLFXWJVHLNYSK-NHCYSSNCSA-N 2 0 237.347 0.337 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](C)CC[NH3+] ZINC000308988038 349267024 /nfs/dbraw/zinc/26/70/24/349267024.db2.gz KGNDKIJVEXSDGS-HLTSFMKQSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)CCC[NH3+])C[C@H]1C[NH3+] ZINC000422537480 192424847 /nfs/dbraw/zinc/42/48/47/192424847.db2.gz GYMOXNMOYBPUBS-GMTAPVOTSA-N 2 0 227.352 0.557 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]([NH3+])CC(F)F ZINC000309038867 349371406 /nfs/dbraw/zinc/37/14/06/349371406.db2.gz IIZOGWZIXZEMKW-ZETCQYMHSA-N 2 0 223.267 0.037 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](C2CC2)CC1 ZINC000383719008 349383312 /nfs/dbraw/zinc/38/33/12/349383312.db2.gz XZYBQWKOMCKWJU-CYBMUJFWSA-N 2 0 241.379 0.079 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C[NH+](CC)CC ZINC000449611385 201984772 /nfs/dbraw/zinc/98/47/72/201984772.db2.gz VLCUQDCAAVMMBS-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP [NH3+]CCc1ccccc1C(=O)N1CCC[NH2+]CC1 ZINC000070541733 350018505 /nfs/dbraw/zinc/01/85/05/350018505.db2.gz UDWMDNJIOZVVFI-UHFFFAOYSA-N 2 0 247.342 0.623 20 0 BCADRP CN1CC[C@@H]([NH+]2CCC(CC[NH3+])CC2)C1=O ZINC000070583877 350032881 /nfs/dbraw/zinc/03/28/81/350032881.db2.gz AKOFKKQKHFEWCR-LLVKDONJSA-N 2 0 225.336 0.278 20 0 BCADRP COCC[C@H](CO)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000300898430 349419130 /nfs/dbraw/zinc/41/91/30/349419130.db2.gz QPBUXUQZJBPZEJ-GMTAPVOTSA-N 2 0 216.325 0.243 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000422612267 192430626 /nfs/dbraw/zinc/43/06/26/192430626.db2.gz UNLQTXSSQWUZPX-VHSXEESVSA-N 2 0 242.367 0.683 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000563099924 350057759 /nfs/dbraw/zinc/05/77/59/350057759.db2.gz DLWOVEKUAPFCHD-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CCC(=O)N(C)C)C1 ZINC000070800165 350059576 /nfs/dbraw/zinc/05/95/76/350059576.db2.gz QUXJSPVDUHJDDL-JTQLQIEISA-N 2 0 213.325 0.006 20 0 BCADRP C[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000131751895 191017149 /nfs/dbraw/zinc/01/71/49/191017149.db2.gz IOZAKVVUHSCGGL-ZNSHCXBVSA-N 2 0 200.326 0.686 20 0 BCADRP C[NH2+]CCC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000071184677 350090749 /nfs/dbraw/zinc/09/07/49/350090749.db2.gz MHRRLNXSFJTJAN-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C[C@@H](C[NH3+])OC ZINC000219243701 350118266 /nfs/dbraw/zinc/11/82/66/350118266.db2.gz CQXZNPXFPSSVGA-MNOVXSKESA-N 2 0 245.367 0.197 20 0 BCADRP Cc1cnn(CC[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000304447520 350153478 /nfs/dbraw/zinc/15/34/78/350153478.db2.gz WUOPUHLVBVQCNY-NEPJUHHUSA-N 2 0 222.336 0.861 20 0 BCADRP Cc1cnn(CC[NH+]2CCC(C[NH3+])CC2)c1 ZINC000304345081 350155237 /nfs/dbraw/zinc/15/52/37/350155237.db2.gz FUMFXNJFJLBPGO-UHFFFAOYSA-N 2 0 222.336 0.862 20 0 BCADRP CC(C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000133789274 191043066 /nfs/dbraw/zinc/04/30/66/191043066.db2.gz BHGXIKBYMBENEH-NWDGAFQWSA-N 2 0 241.379 0.973 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000068015677 350179298 /nfs/dbraw/zinc/17/92/98/350179298.db2.gz JKJGMIWHVKLWAO-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000068015678 350179429 /nfs/dbraw/zinc/17/94/29/350179429.db2.gz JKJGMIWHVKLWAO-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@@]1(C(=O)N[C@@H](CC[NH3+])C(F)F)CCCC[NH2+]1 ZINC000449619618 201988423 /nfs/dbraw/zinc/98/84/23/201988423.db2.gz CPMXUPARWPGNBZ-KWQFWETISA-N 2 0 249.305 0.617 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+](C)C ZINC000427565291 191081678 /nfs/dbraw/zinc/08/16/78/191081678.db2.gz NDTDFJYDKSSMBD-GRYCIOLGSA-N 2 0 241.379 0.687 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[NH+](C)C ZINC000427565294 191082237 /nfs/dbraw/zinc/08/22/37/191082237.db2.gz NDTDFJYDKSSMBD-QJPTWQEYSA-N 2 0 241.379 0.687 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)[NH+](C)C ZINC000427565297 191082294 /nfs/dbraw/zinc/08/22/94/191082294.db2.gz NDTDFJYDKSSMBD-SRVKXCTJSA-N 2 0 241.379 0.687 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000427614380 191084914 /nfs/dbraw/zinc/08/49/14/191084914.db2.gz WPUSACYJBKDKKA-FOGDFJRCSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CC[NH2+]C1)[NH+](CC)CC ZINC000428207146 191092098 /nfs/dbraw/zinc/09/20/98/191092098.db2.gz UTVUPKFVPSRNTB-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)[NH3+])C[NH+]1CCCCC1 ZINC000038042249 350302765 /nfs/dbraw/zinc/30/27/65/350302765.db2.gz BPDNUWKNWMDMCA-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000606345342 350315293 /nfs/dbraw/zinc/31/52/93/350315293.db2.gz ZKCYXKWKFGIAKT-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050457588 350342191 /nfs/dbraw/zinc/34/21/91/350342191.db2.gz CFMVAWLBYZYXSK-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)C[NH2+]C1CC1 ZINC000309366407 350354210 /nfs/dbraw/zinc/35/42/10/350354210.db2.gz BHUPTVIRUKNNGE-VIFPVBQESA-N 2 0 213.325 0.372 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000309301875 323341070 /nfs/dbraw/zinc/34/10/70/323341070.db2.gz UGACKZJWHLSCOT-GUBZILKMSA-N 2 0 213.325 0.165 20 0 BCADRP CC1(C)CN(C(=O)NCC[NH2+]C2CC2)CC[NH2+]1 ZINC000637340401 350465961 /nfs/dbraw/zinc/46/59/61/350465961.db2.gz QUHNDYIOXSTHTC-UHFFFAOYSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000428151112 191105332 /nfs/dbraw/zinc/10/53/32/191105332.db2.gz PHYILMJHJZDHGR-QJPTWQEYSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062116511 350539866 /nfs/dbraw/zinc/53/98/66/350539866.db2.gz AYISSJCDFTXNOJ-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H]1CC[NH2+]1 ZINC000384803524 350540276 /nfs/dbraw/zinc/54/02/76/350540276.db2.gz WVEHLQFELMXDJD-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH2+]C1CC1 ZINC000577495560 365969723 /nfs/dbraw/zinc/96/97/23/365969723.db2.gz ZTDCDNLQSPRIGA-RYUDHWBXSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH+](C)C1(CNC(=O)[C@H]2CC[NH2+]2)CCCC1 ZINC000384811648 350541943 /nfs/dbraw/zinc/54/19/43/350541943.db2.gz GYILGDRZPVAJHX-SNVBAGLBSA-N 2 0 225.336 0.339 20 0 BCADRP CCCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000019514114 350546633 /nfs/dbraw/zinc/54/66/33/350546633.db2.gz QVHOWWOIVBBQSL-UHFFFAOYSA-N 2 0 213.325 0.150 20 0 BCADRP CC(C)C[C@@H](CNC(=O)C1(C)C[NH2+]C1)[NH+](C)C ZINC000399511297 323397021 /nfs/dbraw/zinc/39/70/21/323397021.db2.gz ZNQIAMXKIIJAQU-NSHDSACASA-N 2 0 241.379 0.688 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC(C[NH3+])CC1 ZINC000309506566 350679181 /nfs/dbraw/zinc/67/91/81/350679181.db2.gz VZRYRRAKHWNEPW-DTWKUNHWSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](C)C[NH3+])C1 ZINC000309513913 350693784 /nfs/dbraw/zinc/69/37/84/350693784.db2.gz YBZQONUKWTVIOY-BBBLOLIVSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000309513914 350693808 /nfs/dbraw/zinc/69/38/08/350693808.db2.gz YBZQONUKWTVIOY-KXUCPTDWSA-N 2 0 213.325 0.167 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000309519559 350695602 /nfs/dbraw/zinc/69/56/02/350695602.db2.gz BAMPCLBAGXYTNR-IVZWLZJFSA-N 2 0 213.325 0.099 20 0 BCADRP CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000252656601 350914080 /nfs/dbraw/zinc/91/40/80/350914080.db2.gz KJHUWFFUOHCQQT-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)O1 ZINC000398024142 362986925 /nfs/dbraw/zinc/98/69/25/362986925.db2.gz GDYZERJSKBFWRI-AGIUHOORSA-N 2 0 242.363 0.600 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000577608211 366015664 /nfs/dbraw/zinc/01/56/64/366015664.db2.gz ZGGUAHJFZAASGR-QWRGUYRKSA-N 2 0 227.352 0.490 20 0 BCADRP C[N@@H+]1CC[C@@H]([NH2+]C/C=C/CO)CC1(C)C ZINC000623563998 362988564 /nfs/dbraw/zinc/98/85/64/362988564.db2.gz PDGFOWGAQAPFQA-SGUJLRQBSA-N 2 0 212.337 0.997 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(=O)N2)CC1(C)C ZINC000623571506 363001367 /nfs/dbraw/zinc/00/13/67/363001367.db2.gz YUQQBDGLKCFYBS-QWRGUYRKSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1CCC[C@H](O)C1 ZINC000414671327 351578710 /nfs/dbraw/zinc/57/87/10/351578710.db2.gz NVNJQYVDDMUDDR-MNOVXSKESA-N 2 0 200.326 0.817 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2CO)CC[NH2+]1 ZINC000414680709 351588152 /nfs/dbraw/zinc/58/81/52/351588152.db2.gz NSUQSTWIHRODOZ-GRYCIOLGSA-N 2 0 212.337 0.831 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000637817314 351661392 /nfs/dbraw/zinc/66/13/92/351661392.db2.gz SPHUMABSBSDXII-QWRGUYRKSA-N 2 0 223.320 0.292 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000637800715 351636601 /nfs/dbraw/zinc/63/66/01/351636601.db2.gz HKYDTNMSKZUPAT-LLVKDONJSA-N 2 0 237.347 0.812 20 0 BCADRP C[C@H](C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])[NH+](C)C ZINC000637804775 351638199 /nfs/dbraw/zinc/63/81/99/351638199.db2.gz BBRKQSXHSYEQAX-HBNTYKKESA-N 2 0 227.352 0.665 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]([NH3+])CCC(C)C ZINC000637805478 351641218 /nfs/dbraw/zinc/64/12/18/351641218.db2.gz IJZJZYOEMBKTRD-SNVBAGLBSA-N 2 0 215.341 0.476 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N1CCC[NH2+]CC1 ZINC000637804270 351641399 /nfs/dbraw/zinc/64/13/99/351641399.db2.gz XXWJSZBSMNYUMR-UHFFFAOYSA-N 2 0 237.303 0.482 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC1CC[NH2+]CC1 ZINC000637805829 351641959 /nfs/dbraw/zinc/64/19/59/351641959.db2.gz QXECWISGARHFKJ-SECBINFHSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000637806272 351643032 /nfs/dbraw/zinc/64/30/32/351643032.db2.gz WECOZSDMUFSIAM-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]C)CC[N@@H+]1C ZINC000637807068 351644058 /nfs/dbraw/zinc/64/40/58/351644058.db2.gz ZLJXTDNRTNOHIM-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000637807637 351644782 /nfs/dbraw/zinc/64/47/82/351644782.db2.gz KOIMQAYTPKPPIQ-AXFHLTTASA-N 2 0 227.352 0.713 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@H]1CC ZINC000637809495 351646022 /nfs/dbraw/zinc/64/60/22/351646022.db2.gz RYUQTOSRMJLDGT-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)C1CC[NH2+]CC1 ZINC000637809311 351646212 /nfs/dbraw/zinc/64/62/12/351646212.db2.gz PNLOEHLVTKOFRG-SECBINFHSA-N 2 0 213.325 0.195 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000637817563 351662865 /nfs/dbraw/zinc/66/28/65/351662865.db2.gz VJKJDHBFHUPNAG-VIFPVBQESA-N 2 0 237.303 0.481 20 0 BCADRP CC[C@@H](C(=O)N1CC[NH2+]C[C@H]1C)[NH+](C)C ZINC000637817749 351662211 /nfs/dbraw/zinc/66/22/11/351662211.db2.gz BSCWUPONFQOUHX-ZJUUUORDSA-N 2 0 213.325 0.147 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC000637817470 351662345 /nfs/dbraw/zinc/66/23/45/351662345.db2.gz SYEMKJCJLWWBFJ-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000637814877 351653843 /nfs/dbraw/zinc/65/38/43/351653843.db2.gz BMDBYIWUORGKGZ-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000637820471 351660663 /nfs/dbraw/zinc/66/06/63/351660663.db2.gz OERKTNADVBWJLP-HBNTYKKESA-N 2 0 227.352 0.489 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCC([NH3+])CC1 ZINC000637799195 351628155 /nfs/dbraw/zinc/62/81/55/351628155.db2.gz RXXRZJSZUDGIRE-LLVKDONJSA-N 2 0 227.352 0.700 20 0 BCADRP CCCN(C(=O)C1=CC[C@H]([NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000637832892 351682023 /nfs/dbraw/zinc/68/20/23/351682023.db2.gz NMQRYVOMXAWQMF-NWDGAFQWSA-N 2 0 237.347 0.634 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NC2(C[NH3+])CCCC2)C1 ZINC000637839270 351689695 /nfs/dbraw/zinc/68/96/95/351689695.db2.gz ILKKLULTARKOAY-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C1(C[NH+](C)C)CC1 ZINC000637849598 351706868 /nfs/dbraw/zinc/70/68/68/351706868.db2.gz PJZXZJMFAIDULG-SNVBAGLBSA-N 2 0 227.352 0.428 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000637837511 351691184 /nfs/dbraw/zinc/69/11/84/351691184.db2.gz HTZDCFNQDHAOHI-SDDRHHMPSA-N 2 0 239.363 0.537 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@](C)(C[NH3+])C2CC2)C1 ZINC000637840305 351695393 /nfs/dbraw/zinc/69/53/93/351695393.db2.gz GKEFTXYDOLHUFW-GWCFXTLKSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]CC1(NC(=O)CCC2C[NH2+]C2)CCCC1 ZINC000637841160 351697061 /nfs/dbraw/zinc/69/70/61/351697061.db2.gz RIPJCSOVPXZZFI-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP [NH3+]CC1(NC(=O)C2=CC[C@@H]([NH3+])C2)CCCC1 ZINC000637841159 351697403 /nfs/dbraw/zinc/69/74/03/351697403.db2.gz RIFKPGQXHHVIDG-SNVBAGLBSA-N 2 0 223.320 0.422 20 0 BCADRP CC[C@@H](C(=O)NC(CC)(CC)C[NH3+])[NH+](C)C ZINC000637841600 351697691 /nfs/dbraw/zinc/69/76/91/351697691.db2.gz UGOCVLSUNVRABW-JTQLQIEISA-N 2 0 229.368 0.960 20 0 BCADRP C[C@](C[NH3+])(NC(=O)C1=CC[C@@H]([NH3+])C1)C1CC1 ZINC000637841921 351698094 /nfs/dbraw/zinc/69/80/94/351698094.db2.gz MUVREKQVKKOZOJ-ZYHUDNBSSA-N 2 0 223.320 0.278 20 0 BCADRP C[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000637842180 351698784 /nfs/dbraw/zinc/69/87/84/351698784.db2.gz XZKACEINBXALDX-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000637842352 351699232 /nfs/dbraw/zinc/69/92/32/351699232.db2.gz QPHMLZULCGAKQZ-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)[NH+](C)C ZINC000637844120 351699623 /nfs/dbraw/zinc/69/96/23/351699623.db2.gz DRPLCJWEYHXCEW-IVZWLZJFSA-N 2 0 213.325 0.132 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH3+])C(C)C)CC[N@@H+]1C ZINC000637850109 351707446 /nfs/dbraw/zinc/70/74/46/351707446.db2.gz STLCPRIAWNJFGN-QJPTWQEYSA-N 2 0 241.379 0.816 20 0 BCADRP CC[C@@H](C(=O)N[C@H](C[NH3+])CC(C)C)[NH+](C)C ZINC000637842929 351701768 /nfs/dbraw/zinc/70/17/68/351701768.db2.gz BASQMLKKOUEIMN-QWRGUYRKSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@H](C(=O)N[C@@](C)(C[NH3+])C1CC1)[NH+](C)C ZINC000637843195 351701865 /nfs/dbraw/zinc/70/18/65/351701865.db2.gz USUDUPUCJMXAEN-KCJUWKMLSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000637847652 351703096 /nfs/dbraw/zinc/70/30/96/351703096.db2.gz KKJYUERVMJNNHF-ZMLRMANQSA-N 2 0 237.347 0.620 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000637843846 351703231 /nfs/dbraw/zinc/70/32/31/351703231.db2.gz ZKJLHPNAKAFGJQ-DGCLKSJQSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637847012 351705440 /nfs/dbraw/zinc/70/54/40/351705440.db2.gz KRWRSWAGFXOGQJ-ZJUUUORDSA-N 2 0 211.309 0.133 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000637824675 351664424 /nfs/dbraw/zinc/66/44/24/351664424.db2.gz PPSJBQSSXLERKR-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]([NH3+])CCC(C)C)C1 ZINC000637821447 351666070 /nfs/dbraw/zinc/66/60/70/351666070.db2.gz BLQJIQLKKTWDIL-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000637825866 351671730 /nfs/dbraw/zinc/67/17/30/351671730.db2.gz BANLJKVVEWVGMQ-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000637827248 351675969 /nfs/dbraw/zinc/67/59/69/351675969.db2.gz OILSMQLDMDMKFD-GHMZBOCLSA-N 2 0 227.352 0.618 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)Cn1cncc1C ZINC000637859450 351716713 /nfs/dbraw/zinc/71/67/13/351716713.db2.gz YLUGTXDUSHXZGW-UHFFFAOYSA-N 2 0 238.335 0.825 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)NCC(C)(C)[NH3+] ZINC000637857185 351717907 /nfs/dbraw/zinc/71/79/07/351717907.db2.gz GRCOAFFCZGVMJM-UHFFFAOYSA-N 2 0 225.292 0.514 20 0 BCADRP C[NH+](C)CC1(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000637858025 351718539 /nfs/dbraw/zinc/71/85/39/351718539.db2.gz TXBWKUOKHSMXSA-UHFFFAOYSA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000637861631 351722780 /nfs/dbraw/zinc/72/27/80/351722780.db2.gz HRUMYHHXYFIESY-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]C)[NH+](C)C ZINC000637862229 351722862 /nfs/dbraw/zinc/72/28/62/351722862.db2.gz MLYPXAVWILKPHF-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H](C(=O)NC[C@]1(C)CCC[NH2+]C1)C1C[NH2+]C1 ZINC000577750134 366053520 /nfs/dbraw/zinc/05/35/20/366053520.db2.gz UONGSQQPOIKCTN-ZWNOBZJWSA-N 2 0 239.363 0.348 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]C ZINC000577749894 366053611 /nfs/dbraw/zinc/05/36/11/366053611.db2.gz CDGYEJHOGAGKMM-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000309804520 323606687 /nfs/dbraw/zinc/60/66/87/323606687.db2.gz RUKKJLWVHLJOEV-AEJSXWLSSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000637855853 351715066 /nfs/dbraw/zinc/71/50/66/351715066.db2.gz ZDLVQJSVXTZBOE-QWRGUYRKSA-N 2 0 227.352 0.603 20 0 BCADRP CN(CCC[NH3+])C(=O)C1(C[NH+](C)C)CC1 ZINC000637855651 351715176 /nfs/dbraw/zinc/71/51/76/351715176.db2.gz XGEKJCWLELPKHR-UHFFFAOYSA-N 2 0 213.325 0.135 20 0 BCADRP C[C@@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)Cn1ccnc1 ZINC000638075723 351947632 /nfs/dbraw/zinc/94/76/32/351947632.db2.gz HCXUINIJOKTLJL-CMPLNLGQSA-N 2 0 248.330 0.683 20 0 BCADRP CC[NH+](CC)CCCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638047438 351926588 /nfs/dbraw/zinc/92/65/88/351926588.db2.gz HQGFAQQSKLEYHL-GFCCVEGCSA-N 2 0 239.363 0.882 20 0 BCADRP CC[NH+]1CCC(NC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638052106 351929393 /nfs/dbraw/zinc/92/93/93/351929393.db2.gz XCSPCNHMAFAVSP-NSHDSACASA-N 2 0 237.347 0.634 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)NCC[NH+]2CCCC2)C1 ZINC000638055271 351930203 /nfs/dbraw/zinc/93/02/03/351930203.db2.gz HISSMURMJNGDAB-LLVKDONJSA-N 2 0 223.320 0.246 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000638056938 351932679 /nfs/dbraw/zinc/93/26/79/351932679.db2.gz SEZXIWVWKALMEE-LLVKDONJSA-N 2 0 249.358 0.777 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000638058406 351932892 /nfs/dbraw/zinc/93/28/92/351932892.db2.gz QDRUILNCQVMPOC-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000638060396 351933317 /nfs/dbraw/zinc/93/33/17/351933317.db2.gz USARXAOVQUNSFO-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H](CNC(=O)C1=CC[C@H]([NH3+])C1)Cn1ccnc1 ZINC000638075726 351948192 /nfs/dbraw/zinc/94/81/92/351948192.db2.gz HCXUINIJOKTLJL-PWSUYJOCSA-N 2 0 248.330 0.683 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000638060860 351934592 /nfs/dbraw/zinc/93/45/92/351934592.db2.gz SSTNSSTYUQBDFK-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638071697 351943764 /nfs/dbraw/zinc/94/37/64/351943764.db2.gz HTVHHMDSRPWUSN-GXSJLCMTSA-N 2 0 223.320 0.102 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000638071935 351943928 /nfs/dbraw/zinc/94/39/28/351943928.db2.gz IJINOKZVCISONS-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCCC[N@H+](C)CCOC ZINC000638072435 351944935 /nfs/dbraw/zinc/94/49/35/351944935.db2.gz RYRRZEQWCOYHPK-LLVKDONJSA-N 2 0 245.367 0.069 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)NC[C@@H](C)C[NH3+] ZINC000638144251 352007522 /nfs/dbraw/zinc/00/75/22/352007522.db2.gz MESRYJUZUBNUEG-ZETCQYMHSA-N 2 0 225.292 0.371 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000638144936 352007621 /nfs/dbraw/zinc/00/76/21/352007621.db2.gz PQAYMOXSVCUVJF-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000638076619 351949461 /nfs/dbraw/zinc/94/94/61/351949461.db2.gz ZQLGWTHJSWBWOZ-GRYCIOLGSA-N 2 0 239.363 0.727 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638077839 351950643 /nfs/dbraw/zinc/95/06/43/351950643.db2.gz BHBRBMHFGPZHKT-QWRGUYRKSA-N 2 0 223.320 0.244 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000638077551 351950659 /nfs/dbraw/zinc/95/06/59/351950659.db2.gz UMWVLBSGPGREQN-MNOVXSKESA-N 2 0 229.368 0.831 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000638077553 351951320 /nfs/dbraw/zinc/95/13/20/351951320.db2.gz UMWVLBSGPGREQN-WDEREUQCSA-N 2 0 229.368 0.831 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000638080146 351953268 /nfs/dbraw/zinc/95/32/68/351953268.db2.gz ZLUNTLUXFAXJNZ-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](CNC(=O)C1=CC[C@H]([NH3+])C1)[NH+](C)C ZINC000638080823 351953516 /nfs/dbraw/zinc/95/35/16/351953516.db2.gz REACOOKYXCZGCQ-SCZZXKLOSA-N 2 0 211.309 0.100 20 0 BCADRP C[C@@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)[NH+](C)C ZINC000638080824 351953844 /nfs/dbraw/zinc/95/38/44/351953844.db2.gz REACOOKYXCZGCQ-WCBMZHEXSA-N 2 0 211.309 0.100 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)NC[C@H](C)[NH+](C)C ZINC000638080872 351954156 /nfs/dbraw/zinc/95/41/56/351954156.db2.gz SDJFGWYINSTJFJ-VIFPVBQESA-N 2 0 239.319 0.727 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000638081131 351954345 /nfs/dbraw/zinc/95/43/45/351954345.db2.gz VBTPMQBDDYFRQJ-WDEREUQCSA-N 2 0 229.368 0.816 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000638081464 351957772 /nfs/dbraw/zinc/95/77/72/351957772.db2.gz MAMGCUPCAYGOIR-VHSXEESVSA-N 2 0 225.336 0.337 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000638150058 352010940 /nfs/dbraw/zinc/01/09/40/352010940.db2.gz VHXQCAUXYQDIDD-TUAOUCFPSA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000638150062 352010969 /nfs/dbraw/zinc/01/09/69/352010969.db2.gz VHXQCAUXYQDIDD-WOPDTQHZSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638086339 351964111 /nfs/dbraw/zinc/96/41/11/351964111.db2.gz XZPWWACZMQXIMZ-ONGXEEELSA-N 2 0 225.336 0.490 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H](C)[NH2+]CC ZINC000638089897 351966986 /nfs/dbraw/zinc/96/69/86/351966986.db2.gz UCNAGSNGPYWMBN-NSHDSACASA-N 2 0 229.368 0.833 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638096574 351976875 /nfs/dbraw/zinc/97/68/75/351976875.db2.gz JSIKBNSHVFVYFH-CMPLNLGQSA-N 2 0 239.363 0.880 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638096576 351977324 /nfs/dbraw/zinc/97/73/24/351977324.db2.gz JSIKBNSHVFVYFH-PWSUYJOCSA-N 2 0 239.363 0.880 20 0 BCADRP C[C@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000638099159 351978505 /nfs/dbraw/zinc/97/85/05/351978505.db2.gz ACSAPZCAICMDAV-MWLCHTKSSA-N 2 0 237.347 0.633 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638097923 351978916 /nfs/dbraw/zinc/97/89/16/351978916.db2.gz XQMABIKMCLYDIK-NWDGAFQWSA-N 2 0 237.347 0.587 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000638099657 351979720 /nfs/dbraw/zinc/97/97/20/351979720.db2.gz CWSQONBTUPTTSR-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC[N@H+](C)CCCOC ZINC000638121062 351995239 /nfs/dbraw/zinc/99/52/39/351995239.db2.gz DFJGOUWIZDLXQM-NSHDSACASA-N 2 0 245.367 0.069 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000638121805 351995537 /nfs/dbraw/zinc/99/55/37/351995537.db2.gz HJVZTXXRUORSFD-UTUOFQBUSA-N 2 0 241.379 0.926 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H](C)[NH2+]CC ZINC000638127752 351998671 /nfs/dbraw/zinc/99/86/71/351998671.db2.gz LLYWPQXSGACPNU-NSHDSACASA-N 2 0 229.368 0.833 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000638138346 352003931 /nfs/dbraw/zinc/00/39/31/352003931.db2.gz CQZJFZZJRLHGMC-PWSUYJOCSA-N 2 0 235.331 0.387 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000638138573 352003976 /nfs/dbraw/zinc/00/39/76/352003976.db2.gz HUXUXCNNQQKIIQ-ONGXEEELSA-N 2 0 225.336 0.337 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000638176101 352042383 /nfs/dbraw/zinc/04/23/83/352042383.db2.gz CCIFVONQJMGKIT-SDDRHHMPSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@H](C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)[NH+](C)C ZINC000638177073 352043119 /nfs/dbraw/zinc/04/31/19/352043119.db2.gz HRRRVSVAOMPLLJ-AEJSXWLSSA-N 2 0 213.325 0.051 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638177742 352045365 /nfs/dbraw/zinc/04/53/65/352045365.db2.gz MEDHDIJKSPCHJL-MIMYLULJSA-N 2 0 223.320 0.148 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638182924 352045829 /nfs/dbraw/zinc/04/58/29/352045829.db2.gz YZKJDIZFTPSSPS-IJLUTSLNSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567166071 352057045 /nfs/dbraw/zinc/05/70/45/352057045.db2.gz KVELUXXMHSQIQN-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000638195096 352057362 /nfs/dbraw/zinc/05/73/62/352057362.db2.gz CZZKRVFXASMYSA-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP C[NH+](C)CC1(C(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC000638195689 352057877 /nfs/dbraw/zinc/05/78/77/352057877.db2.gz JZFJXKKLHJWBLX-UHFFFAOYSA-N 2 0 239.363 0.668 20 0 BCADRP O=C(CCC1C[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000638197077 352059207 /nfs/dbraw/zinc/05/92/07/352059207.db2.gz FGEGUUUONYNVRA-TXEJJXNPSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000638197103 352059639 /nfs/dbraw/zinc/05/96/39/352059639.db2.gz FRPMQCYBIFWCGA-UTUOFQBUSA-N 2 0 235.331 0.387 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000638197102 352059682 /nfs/dbraw/zinc/05/96/82/352059682.db2.gz FRPMQCYBIFWCGA-SDDRHHMPSA-N 2 0 235.331 0.387 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC000638196269 352060278 /nfs/dbraw/zinc/06/02/78/352060278.db2.gz SOLFQRNWQVJCKF-NSHDSACASA-N 2 0 239.363 0.811 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000638199131 352062321 /nfs/dbraw/zinc/06/23/21/352062321.db2.gz PFBBRDKTFDDFMD-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638199876 352063547 /nfs/dbraw/zinc/06/35/47/352063547.db2.gz GCAZKZQJFCOZAW-IEBDPFPHSA-N 2 0 223.320 0.148 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)[NH+](C)C ZINC000638203201 352063827 /nfs/dbraw/zinc/06/38/27/352063827.db2.gz SJVXRHAFAQNMIK-GMTAPVOTSA-N 2 0 225.336 0.147 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC000638203766 352065239 /nfs/dbraw/zinc/06/52/39/352065239.db2.gz NQSUHCJBRQSOEN-MNOVXSKESA-N 2 0 239.363 0.442 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000638201370 352065631 /nfs/dbraw/zinc/06/56/31/352065631.db2.gz VQVNYHHWNZKBDX-KXUCPTDWSA-N 2 0 213.325 0.371 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000638205172 352067228 /nfs/dbraw/zinc/06/72/28/352067228.db2.gz GRZJCIRJBKMZQL-AEJSXWLSSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)C2=CC[C@@H]([NH3+])C2)[C@H]1C ZINC000638205968 352068484 /nfs/dbraw/zinc/06/84/84/352068484.db2.gz KDUFMKQFIZBLSZ-ATZCPNFKSA-N 2 0 223.320 0.243 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000638208925 352071342 /nfs/dbraw/zinc/07/13/42/352071342.db2.gz WVXPZRXRUGVZBX-SRVKXCTJSA-N 2 0 241.379 0.959 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000638209720 352072137 /nfs/dbraw/zinc/07/21/37/352072137.db2.gz ZNAPSYMHKCEDEB-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000638209723 352072232 /nfs/dbraw/zinc/07/22/32/352072232.db2.gz ZNAPSYMHKCEDEB-VWYCJHECSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)C1(C[NH+](C)C)CC1 ZINC000638152731 352017066 /nfs/dbraw/zinc/01/70/66/352017066.db2.gz BMZFJBYTGGFEDM-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000638152960 352017315 /nfs/dbraw/zinc/01/73/15/352017315.db2.gz IAMWSFHRILNXQH-JTQLQIEISA-N 2 0 237.303 0.514 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000638152961 352017351 /nfs/dbraw/zinc/01/73/51/352017351.db2.gz IAMWSFHRILNXQH-SNVBAGLBSA-N 2 0 237.303 0.514 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000638156141 352019201 /nfs/dbraw/zinc/01/92/01/352019201.db2.gz HCEKUXPUVDGPFG-OPRDCNLKSA-N 2 0 213.325 0.132 20 0 BCADRP C[N@H+](CC(=O)NC[C@@H]([NH3+])C1CC1)CC(C)(C)C ZINC000638156342 352019738 /nfs/dbraw/zinc/01/97/38/352019738.db2.gz YUJGYZIQZBMZGU-LLVKDONJSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638157040 352020639 /nfs/dbraw/zinc/02/06/39/352020639.db2.gz BAJHXNATXWPSEK-TUAOUCFPSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000638158396 352022122 /nfs/dbraw/zinc/02/21/22/352022122.db2.gz ZSXAVZPPJPECMH-UTUOFQBUSA-N 2 0 241.379 0.946 20 0 BCADRP CC[C@H](C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[NH+](C)C ZINC000638157983 352022296 /nfs/dbraw/zinc/02/22/96/352022296.db2.gz NMKACZUHXLBWTA-OUAUKWLOSA-N 2 0 227.352 0.535 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638159558 352024076 /nfs/dbraw/zinc/02/40/76/352024076.db2.gz CBLQTUHEOIYGTE-VXGBXAGGSA-N 2 0 237.347 0.634 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638157973 352025514 /nfs/dbraw/zinc/02/55/14/352025514.db2.gz YCIGMHGQAUXNJY-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000638158059 352025563 /nfs/dbraw/zinc/02/55/63/352025563.db2.gz OKEZAPSUGHJCQJ-AEJSXWLSSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000638158028 352025892 /nfs/dbraw/zinc/02/58/92/352025892.db2.gz NYHPJJBRTAPWEH-TUAOUCFPSA-N 2 0 241.379 0.959 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000638163014 352027099 /nfs/dbraw/zinc/02/70/99/352027099.db2.gz XNELXPKCACOSCG-JTQLQIEISA-N 2 0 227.352 0.490 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)NCC1([NH3+])CCC1 ZINC000638163089 352027461 /nfs/dbraw/zinc/02/74/61/352027461.db2.gz YHTIPUGNCFEWIY-UHFFFAOYSA-N 2 0 237.303 0.658 20 0 BCADRP C[C@H](C[NH3+])NC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638169060 352033146 /nfs/dbraw/zinc/03/31/46/352033146.db2.gz CPTREUVLJRLZTF-SNVBAGLBSA-N 2 0 247.342 0.338 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2OCC[C@@H]2[NH3+])cc1 ZINC000638173686 352036765 /nfs/dbraw/zinc/03/67/65/352036765.db2.gz BVZXXUWJAYQNNY-WDEREUQCSA-N 2 0 235.287 0.200 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NCC2=CC[NH2+]CC2)C1 ZINC000638175799 352041258 /nfs/dbraw/zinc/04/12/58/352041258.db2.gz NBGKGEVLKJRDKG-GFCCVEGCSA-N 2 0 237.347 0.364 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000638282374 352120599 /nfs/dbraw/zinc/12/05/99/352120599.db2.gz DGKLFSRGZYSPIO-RYUDHWBXSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[NH2+]1 ZINC000638211137 352077086 /nfs/dbraw/zinc/07/70/86/352077086.db2.gz PNZTUGSFUTXUEI-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH3+])CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC000638211030 352077147 /nfs/dbraw/zinc/07/71/47/352077147.db2.gz LSMYEIFGQWSCPG-LBPRGKRZSA-N 2 0 249.358 0.624 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000638221168 352080048 /nfs/dbraw/zinc/08/00/48/352080048.db2.gz UZQANVMBXGCBNY-AAEUAGOBSA-N 2 0 239.363 0.668 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NC(C)(C)CCC[NH3+])C1 ZINC000638246504 352093377 /nfs/dbraw/zinc/09/33/77/352093377.db2.gz FVVSRADPENOMTO-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000638249833 352095142 /nfs/dbraw/zinc/09/51/42/352095142.db2.gz XLNRDARKWAEMDJ-GARJFASQSA-N 2 0 225.336 0.182 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000638253977 352097151 /nfs/dbraw/zinc/09/71/51/352097151.db2.gz DWJBLSCTOLRTJL-HTQZYQBOSA-N 2 0 225.292 0.512 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000638251716 352099597 /nfs/dbraw/zinc/09/95/97/352099597.db2.gz JUOLJBUZLNKIDK-DTWKUNHWSA-N 2 0 201.314 0.228 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638257097 352100600 /nfs/dbraw/zinc/10/06/00/352100600.db2.gz SROOQGARGCTVQH-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)c1oc(C[NH3+])cc1C ZINC000638259012 352102986 /nfs/dbraw/zinc/10/29/86/352102986.db2.gz MDRIYQNGEIDTQT-MRVPVSSYSA-N 2 0 225.292 0.514 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638256106 352103103 /nfs/dbraw/zinc/10/31/03/352103103.db2.gz NPUDMDVBJXEVAU-LPEHRKFASA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@@H](C(=O)N[C@H]1CC[NH2+]CC1(C)C)[NH+](C)C ZINC000638261117 352103561 /nfs/dbraw/zinc/10/35/61/352103561.db2.gz CIWMYRJUEBVZQU-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638260857 352103738 /nfs/dbraw/zinc/10/37/38/352103738.db2.gz BVZPHBDGUBYVFQ-QJPTWQEYSA-N 2 0 239.363 0.572 20 0 BCADRP CN(C(=O)C1=CC[C@@H]([NH3+])C1)C1(C[NH3+])CCC1 ZINC000638262560 352104782 /nfs/dbraw/zinc/10/47/82/352104782.db2.gz OMYRPOYAEPSQAN-SNVBAGLBSA-N 2 0 223.320 0.374 20 0 BCADRP CC[C@@H](C(=O)N(C)C1(C[NH3+])CCC1)[NH+](C)C ZINC000638262567 352104807 /nfs/dbraw/zinc/10/48/07/352104807.db2.gz ORDGJKHHLCRMQM-JTQLQIEISA-N 2 0 227.352 0.666 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[NH2+]CC1(C)C)[NH+](C)C ZINC000638264256 352104907 /nfs/dbraw/zinc/10/49/07/352104907.db2.gz FRLLHLJSTLRGRC-ZJUUUORDSA-N 2 0 227.352 0.441 20 0 BCADRP CN(C(=O)CCC1C[NH2+]C1)C1(C[NH3+])CCC1 ZINC000638263032 352105840 /nfs/dbraw/zinc/10/58/40/352105840.db2.gz UGYWAZVVCBSFKT-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH2+]CC(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000083961332 352106761 /nfs/dbraw/zinc/10/67/61/352106761.db2.gz OWFYCXZMIZOZGO-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000638270124 352107172 /nfs/dbraw/zinc/10/71/72/352107172.db2.gz BDOJCDMXPSFNNC-NSHDSACASA-N 2 0 241.379 0.973 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000638271312 352109474 /nfs/dbraw/zinc/10/94/74/352109474.db2.gz VLVJQNYALNEAQP-BDAKNGLRSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000638277326 352112398 /nfs/dbraw/zinc/11/23/98/352112398.db2.gz TZNFBRWVGWAPRW-QWRGUYRKSA-N 2 0 241.379 0.912 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000638276861 352113816 /nfs/dbraw/zinc/11/38/16/352113816.db2.gz QDNKSIPUGPXSCW-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP O=C(CCC1C[NH2+]C1)N1CC[NH+]2CCC1CC2 ZINC000638278795 352115396 /nfs/dbraw/zinc/11/53/96/352115396.db2.gz GCROFLWWHXDSBR-UHFFFAOYSA-N 2 0 237.347 0.293 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000638333426 352151637 /nfs/dbraw/zinc/15/16/37/352151637.db2.gz XDXPXXHPDVUABY-VXGBXAGGSA-N 2 0 241.379 0.946 20 0 BCADRP CC[C@@H](C(=O)N[C@H](C[NH3+])C(C)(C)C)[NH+](C)C ZINC000638333357 352151821 /nfs/dbraw/zinc/15/18/21/352151821.db2.gz QDOBTPLMWOPHAQ-VHSXEESVSA-N 2 0 229.368 0.816 20 0 BCADRP CN(C(=O)C1=CC[C@H]([NH3+])C1)[C@H](C[NH3+])C1CC1 ZINC000638332058 352153872 /nfs/dbraw/zinc/15/38/72/352153872.db2.gz MDFFGMOGNYGKMC-WDEREUQCSA-N 2 0 223.320 0.230 20 0 BCADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])C1CC1 ZINC000638332046 352153880 /nfs/dbraw/zinc/15/38/80/352153880.db2.gz LZXSHYCPVLRKQA-JQWIXIFHSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)C[C@@]1(C)C[NH3+] ZINC000638336786 352155570 /nfs/dbraw/zinc/15/55/70/352155570.db2.gz IJTWZSYKGABZJX-IRUJWGPZSA-N 2 0 237.347 0.477 20 0 BCADRP C[C@H](C(=O)NCCC1(C[NH3+])CC1)[NH+](C)C ZINC000638387619 352197207 /nfs/dbraw/zinc/19/72/07/352197207.db2.gz HJUDIQCRUQDLRZ-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCCC1CC[NH2+]CC1 ZINC000638393350 352199611 /nfs/dbraw/zinc/19/96/11/352199611.db2.gz FSMHOLKYVONEKM-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H](C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)[NH+](C)C ZINC000638340610 352160172 /nfs/dbraw/zinc/16/01/72/352160172.db2.gz IBIIWYJSUCSDGQ-HBNTYKKESA-N 2 0 227.352 0.380 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638347093 352164062 /nfs/dbraw/zinc/16/40/62/352164062.db2.gz ONFXSNOAJMMQHG-JTQLQIEISA-N 2 0 211.309 0.102 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)CCC[NH2+]C ZINC000638346614 352164950 /nfs/dbraw/zinc/16/49/50/352164950.db2.gz KIXVTYVPZLKOAQ-VIFPVBQESA-N 2 0 201.314 0.052 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000638358166 352170355 /nfs/dbraw/zinc/17/03/55/352170355.db2.gz TZEHVUXOTJJGAB-SNVBAGLBSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CCC1C[NH2+]C1 ZINC000638369870 352180160 /nfs/dbraw/zinc/18/01/60/352180160.db2.gz VMAWXEQOYVXJES-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000638369950 352180276 /nfs/dbraw/zinc/18/02/76/352180276.db2.gz JQQIXTDIBNUFDU-AXFHLTTASA-N 2 0 229.368 0.992 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)CCC1C[NH2+]C1 ZINC000638369873 352180323 /nfs/dbraw/zinc/18/03/23/352180323.db2.gz VMAWXEQOYVXJES-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000638370039 352180858 /nfs/dbraw/zinc/18/08/58/352180858.db2.gz WGDKODIYSLSNFG-WDEREUQCSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C1(C[NH+](C)C)CC1 ZINC000638369105 352181853 /nfs/dbraw/zinc/18/18/53/352181853.db2.gz PCVPKESTRKAWGS-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000638373466 352183528 /nfs/dbraw/zinc/18/35/28/352183528.db2.gz DXVYNASQWHXRLB-CYBMUJFWSA-N 2 0 245.326 0.809 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000638375923 352185904 /nfs/dbraw/zinc/18/59/04/352185904.db2.gz JTMKLIZWXOTZDJ-UWVGGRQHSA-N 2 0 225.336 0.515 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)NCCC[NH2+]C2CC2)C1 ZINC000638373768 352186646 /nfs/dbraw/zinc/18/66/46/352186646.db2.gz CCWJAWIVMDXRNJ-JTQLQIEISA-N 2 0 223.320 0.292 20 0 BCADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@]2(OC)CCOC2)C1 ZINC000638381359 352193230 /nfs/dbraw/zinc/19/32/30/352193230.db2.gz KWPVDBAMIUAMSU-CHWSQXEVSA-N 2 0 242.363 0.723 20 0 BCADRP C[C@H](C(=O)N(C)[C@H](C[NH3+])C1CC1)[NH+](C)C ZINC000638329253 352149103 /nfs/dbraw/zinc/14/91/03/352149103.db2.gz QIQFEYWSGWSAQX-PSASIEDQSA-N 2 0 213.325 0.132 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638427886 352236482 /nfs/dbraw/zinc/23/64/82/352236482.db2.gz OHLSNQBRUIIGIR-GHMZBOCLSA-N 2 0 225.336 0.524 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C)[NH+](C)C ZINC000638430715 352238729 /nfs/dbraw/zinc/23/87/29/352238729.db2.gz OIALRTNLEOKVHI-NXEZZACHSA-N 2 0 215.341 0.426 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]C)CC[N@@H+]1C ZINC000638430716 352238799 /nfs/dbraw/zinc/23/87/99/352238799.db2.gz AUDHUCFTYYOVJB-OUAUKWLOSA-N 2 0 227.352 0.441 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]C)CC[N@@H+]1C ZINC000638430713 352238830 /nfs/dbraw/zinc/23/88/30/352238830.db2.gz AUDHUCFTYYOVJB-GARJFASQSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]([NH3+])C[C@H]1C)[NH+](C)C ZINC000638397475 352201607 /nfs/dbraw/zinc/20/16/07/352201607.db2.gz PLMTZOVRKSIWAS-BBBLOLIVSA-N 2 0 213.325 0.275 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC000638395399 352202701 /nfs/dbraw/zinc/20/27/01/352202701.db2.gz CCJBYWCZXAAZAS-GHMZBOCLSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC000638395402 352202821 /nfs/dbraw/zinc/20/28/21/352202821.db2.gz CCJBYWCZXAAZAS-WDEREUQCSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638396543 352203357 /nfs/dbraw/zinc/20/33/57/352203357.db2.gz KXHOIUDLNSKDJJ-WOPDTQHZSA-N 2 0 239.363 0.809 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000638396040 352203399 /nfs/dbraw/zinc/20/33/99/352203399.db2.gz HKGVTSIIHHBASC-AEJSXWLSSA-N 2 0 213.325 0.323 20 0 BCADRP CCCCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000037171691 358468525 /nfs/dbraw/zinc/46/85/25/358468525.db2.gz FPKSKBKDQCCDIQ-UHFFFAOYSA-N 2 0 227.352 0.540 20 0 BCADRP C[C@@H](CCNC(=O)CCC1C[NH2+]C1)[NH+](C)C ZINC000638408270 352214102 /nfs/dbraw/zinc/21/41/02/352214102.db2.gz FXSLMYKDPLBYIJ-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H](CCNC(=O)C1=CC[C@H]([NH3+])C1)[NH+](C)C ZINC000638408250 352214162 /nfs/dbraw/zinc/21/41/62/352214162.db2.gz FTOXBTVIJDVNJA-ONGXEEELSA-N 2 0 225.336 0.490 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000638415004 352225381 /nfs/dbraw/zinc/22/53/81/352225381.db2.gz DPVQOQKBYBKOBD-YEJSDXFRSA-N 2 0 239.363 0.726 20 0 BCADRP C[C@H](C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)[NH+](C)C ZINC000638441814 352248564 /nfs/dbraw/zinc/24/85/64/352248564.db2.gz JVDJFBZZTXYUMR-FOGDFJRCSA-N 2 0 225.336 0.276 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1C ZINC000638440187 352249772 /nfs/dbraw/zinc/24/97/72/352249772.db2.gz MXUXVGMXDVMGSM-LOWVWBTDSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000219974148 363142576 /nfs/dbraw/zinc/14/25/76/363142576.db2.gz IFAQTJTUTXXUCU-SECBINFHSA-N 2 0 213.325 0.195 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638497749 352317711 /nfs/dbraw/zinc/31/77/11/352317711.db2.gz HOIPHNFHCLRDRL-VHSXEESVSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638497762 352317770 /nfs/dbraw/zinc/31/77/70/352317770.db2.gz HOIZXIDRQITVRS-DTWKUNHWSA-N 2 0 211.309 0.125 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638498172 352318502 /nfs/dbraw/zinc/31/85/02/352318502.db2.gz JZCVDBBAELLBSK-MRVPVSSYSA-N 2 0 211.309 0.125 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638499207 352318549 /nfs/dbraw/zinc/31/85/49/352318549.db2.gz NMLFQZOETPDZGA-SECBINFHSA-N 2 0 225.336 0.515 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH2+]CC1 ZINC000627060650 363178329 /nfs/dbraw/zinc/17/83/29/363178329.db2.gz CYXQZZIEJGCORM-WDEREUQCSA-N 2 0 240.351 0.178 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000638482694 352291470 /nfs/dbraw/zinc/29/14/70/352291470.db2.gz FBPLMXWVBJWUJV-NWDGAFQWSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638484898 352294918 /nfs/dbraw/zinc/29/49/18/352294918.db2.gz VZISAWCUYOZCAJ-QWRGUYRKSA-N 2 0 227.352 0.298 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C[NH2+]CC1CC1 ZINC000638484863 352295327 /nfs/dbraw/zinc/29/53/27/352295327.db2.gz VCWZWXNTRALFLZ-LBPRGKRZSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000638487628 352296249 /nfs/dbraw/zinc/29/62/49/352296249.db2.gz CEEJVKHXVDHLJP-DTWKUNHWSA-N 2 0 249.305 0.425 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)CC[C@H](C)[NH3+] ZINC000638487614 352296675 /nfs/dbraw/zinc/29/66/75/352296675.db2.gz BXOBTTMAVLKDQN-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000638488000 352299020 /nfs/dbraw/zinc/29/90/20/352299020.db2.gz DDSCDEXJHRQUEL-WOPDTQHZSA-N 2 0 239.363 0.441 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638498726 352319970 /nfs/dbraw/zinc/31/99/70/352319970.db2.gz LXPWGQLLQSLWHF-AXFHLTTASA-N 2 0 239.363 0.761 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCC[NH2+]1 ZINC000638496880 352314167 /nfs/dbraw/zinc/31/41/67/352314167.db2.gz WSTRYYWPJYTTLH-NXEZZACHSA-N 2 0 223.320 0.139 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638505299 352326725 /nfs/dbraw/zinc/32/67/25/352326725.db2.gz KQGYCCRISMJREY-LLVKDONJSA-N 2 0 239.363 0.727 20 0 BCADRP O=C(C[C@@H]1CC[NH2+]C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638505307 352326743 /nfs/dbraw/zinc/32/67/43/352326743.db2.gz KTJJRRRBJBBUJQ-WDEREUQCSA-N 2 0 237.347 0.387 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000638508179 352329944 /nfs/dbraw/zinc/32/99/44/352329944.db2.gz KXUMGJIZJRALNT-ZNSHCXBVSA-N 2 0 235.331 0.138 20 0 BCADRP CCN(CC[NH3+])C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638513644 352339164 /nfs/dbraw/zinc/33/91/64/352339164.db2.gz UJJNZRHOFUKWRK-JTQLQIEISA-N 2 0 213.325 0.135 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000638516027 352342671 /nfs/dbraw/zinc/34/26/71/352342671.db2.gz KMAFYONUYPUITC-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000638516032 352342931 /nfs/dbraw/zinc/34/29/31/352342931.db2.gz KMQKRRZYOZYFSI-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000638522647 352355987 /nfs/dbraw/zinc/35/59/87/352355987.db2.gz MCSNNUIAGRWEBA-GFCCVEGCSA-N 2 0 235.331 0.536 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000638516236 352344060 /nfs/dbraw/zinc/34/40/60/352344060.db2.gz OZZVKCKDNAZFAY-ZJUUUORDSA-N 2 0 215.341 0.413 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000638516641 352345380 /nfs/dbraw/zinc/34/53/80/352345380.db2.gz FYGSVDVIYJVSMP-ZYHUDNBSSA-N 2 0 227.352 0.701 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000638517551 352348047 /nfs/dbraw/zinc/34/80/47/352348047.db2.gz VSNLILXTOPKBMA-MRVPVSSYSA-N 2 0 235.278 0.038 20 0 BCADRP CCN(CC[NH3+])C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000638517802 352348948 /nfs/dbraw/zinc/34/89/48/352348948.db2.gz CQTTWQWMLDIPHN-QWRGUYRKSA-N 2 0 227.352 0.666 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CC[NH2+]C1CC1 ZINC000638573298 352399538 /nfs/dbraw/zinc/39/95/38/352399538.db2.gz BOJFXVBRMYKXSC-WDEREUQCSA-N 2 0 225.336 0.385 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000638573589 352399847 /nfs/dbraw/zinc/39/98/47/352399847.db2.gz FOSXCUHPXXBKKB-WISYIIOYSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000638572371 352400355 /nfs/dbraw/zinc/40/03/55/352400355.db2.gz JVOYDBOXPHIVGQ-QCLAVDOMSA-N 2 0 213.325 0.226 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638567466 352394725 /nfs/dbraw/zinc/39/47/25/352394725.db2.gz MMOVSVRZYJCIMG-UMNHJUIQSA-N 2 0 227.352 0.761 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(C[NH3+])o1 ZINC000638567955 352395771 /nfs/dbraw/zinc/39/57/71/352395771.db2.gz TZNSTAXYEZGFSF-VHSXEESVSA-N 2 0 237.303 0.609 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])CC(F)F ZINC000638572612 352401147 /nfs/dbraw/zinc/40/11/47/352401147.db2.gz RAUCCHIZMAUNTG-GJMOJQLCSA-N 2 0 235.278 0.226 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000638522901 352357040 /nfs/dbraw/zinc/35/70/40/352357040.db2.gz TTZSPKQLLOADLY-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]CCOCCNC(=O)C1([NH3+])CCCCC1 ZINC000638583847 352415157 /nfs/dbraw/zinc/41/51/57/352415157.db2.gz KFAYSMWSTNJKMO-UHFFFAOYSA-N 2 0 243.351 0.000 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000638573856 352403960 /nfs/dbraw/zinc/40/39/60/352403960.db2.gz KDQQORIARYKKOB-VPOLOUISSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)C2CC[NH2+]CC2)C[NH2+]1 ZINC000638652802 352493776 /nfs/dbraw/zinc/49/37/76/352493776.db2.gz AEDTUZLYDOTULZ-GXSJLCMTSA-N 2 0 225.336 0.243 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[C@H](C)[NH3+] ZINC000638651033 352492866 /nfs/dbraw/zinc/49/28/66/352492866.db2.gz MZHUQQWZQSOTJF-RHYQMDGZSA-N 2 0 241.379 0.863 20 0 BCADRP COCCN1CC[C@@H]([NH2+]CCC[C@@H]2CCO2)C1 ZINC000638636659 352478964 /nfs/dbraw/zinc/47/89/64/352478964.db2.gz GIGQNOGCLXHHLH-CHWSQXEVSA-N 2 0 242.363 0.866 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)CC2([NH3+])CC2)C[NH2+]1 ZINC000638638675 352480890 /nfs/dbraw/zinc/48/08/90/352480890.db2.gz FPGNDMHXFCSBPA-BDAKNGLRSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)CC2(C[NH3+])CC2)C[NH2+]1 ZINC000638641153 352483460 /nfs/dbraw/zinc/48/34/60/352483460.db2.gz BUPIHXWFBRHIDX-NXEZZACHSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C[NH2+]1 ZINC000638650307 352494107 /nfs/dbraw/zinc/49/41/07/352494107.db2.gz KYOLZLGKEUCIOK-DBIOUOCHSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)[NH+](C)C ZINC000638642587 352484939 /nfs/dbraw/zinc/48/49/39/352484939.db2.gz XBENFZLRTFWQEU-GUBZILKMSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[NH+](C)C ZINC000638642597 352484989 /nfs/dbraw/zinc/48/49/89/352484989.db2.gz XBENFZLRTFWQEU-OPRDCNLKSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)C[C@H]2CC[NH2+]C2)C[NH2+]1 ZINC000638649945 352493424 /nfs/dbraw/zinc/49/34/24/352493424.db2.gz KBVNTOSZUAXKHF-AXFHLTTASA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643989 352486776 /nfs/dbraw/zinc/48/67/76/352486776.db2.gz NTABJVGEAFYRHM-KYXWUPHJSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)CCCC[NH3+])C[NH2+]1 ZINC000638645059 352488162 /nfs/dbraw/zinc/48/81/62/352488162.db2.gz UBUBPHNOPDQEOO-ZJUUUORDSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)c2ccc(C[NH3+])o2)C[NH2+]1 ZINC000638653184 352494859 /nfs/dbraw/zinc/49/48/59/352494859.db2.gz DQHQNGCCFGEOJU-RKDXNWHRSA-N 2 0 237.303 0.609 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])C[NH2+]1 ZINC000638655395 352496052 /nfs/dbraw/zinc/49/60/52/352496052.db2.gz QJPINQVKSFFKIK-NXEZZACHSA-N 2 0 227.352 0.761 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)CCC(C)(C)[NH3+])C[NH2+]1 ZINC000638655399 352496233 /nfs/dbraw/zinc/49/62/33/352496233.db2.gz QJPINQVKSFFKIK-ZJUUUORDSA-N 2 0 227.352 0.761 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])C[NH2+]1 ZINC000638655397 352496375 /nfs/dbraw/zinc/49/63/75/352496375.db2.gz QJPINQVKSFFKIK-VHSXEESVSA-N 2 0 227.352 0.761 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638653909 352496589 /nfs/dbraw/zinc/49/65/89/352496589.db2.gz IQTWELHZXCQJBK-NHCYSSNCSA-N 2 0 227.352 0.761 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)C2([NH3+])CCCC2)C[NH2+]1 ZINC000638654217 352496678 /nfs/dbraw/zinc/49/66/78/352496678.db2.gz KRMJUIMOFGNTDM-ZJUUUORDSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)C(C)(C)C[NH3+])C[NH2+]1 ZINC000638654532 352497398 /nfs/dbraw/zinc/49/73/98/352497398.db2.gz LXMFXEKRDKEPRY-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638654521 352497496 /nfs/dbraw/zinc/49/74/96/352497496.db2.gz LSURCFHPPUJRCL-BBBLOLIVSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)CC(C)(C)[NH3+])C[NH2+]1 ZINC000638657593 352498493 /nfs/dbraw/zinc/49/84/93/352498493.db2.gz WUWDIIWTFQPQAP-RKDXNWHRSA-N 2 0 213.325 0.371 20 0 BCADRP CC[C@]1(C(=O)NCCOCCC[NH3+])CCC[NH2+]1 ZINC000638663109 352507039 /nfs/dbraw/zinc/50/70/39/352507039.db2.gz JOQCIXRDBFYIMS-GFCCVEGCSA-N 2 0 243.351 0.000 20 0 BCADRP C[C@H]([NH3+])CC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638667796 352510479 /nfs/dbraw/zinc/51/04/79/352510479.db2.gz DIPGYOVDUMZQBK-VIFPVBQESA-N 2 0 249.314 0.844 20 0 BCADRP CC(C)[C@@H](C(=O)N(C)CCOCC[NH3+])[C@@H](C)[NH3+] ZINC000638672066 352513640 /nfs/dbraw/zinc/51/36/40/352513640.db2.gz CCMLAKORKSZIPP-GHMZBOCLSA-N 2 0 245.367 0.040 20 0 BCADRP CC(C)[C@H](C(=O)N(C)CCOCC[NH3+])[NH+](C)C ZINC000638674955 352514637 /nfs/dbraw/zinc/51/46/37/352514637.db2.gz OAIFGXAAJUKFLW-LLVKDONJSA-N 2 0 245.367 0.006 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@H](C)[NH3+] ZINC000638690907 352527331 /nfs/dbraw/zinc/52/73/31/352527331.db2.gz UIOSNYOBGACJJF-DTWKUNHWSA-N 2 0 216.329 0.150 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NC/C=C/C[NH3+] ZINC000638690920 352527788 /nfs/dbraw/zinc/52/77/88/352527788.db2.gz WELRWAJIRDTBGN-ORAHPGNNSA-N 2 0 228.340 0.318 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000388767067 352555755 /nfs/dbraw/zinc/55/57/55/352555755.db2.gz SZOBYYBGDHKPFJ-RWMBFGLXSA-N 2 0 244.379 0.704 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000051694725 187744723 /nfs/dbraw/zinc/74/47/23/187744723.db2.gz CUVAXKDREAVRBE-UDNWOFFPSA-N 2 0 227.352 0.746 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000040503521 352597741 /nfs/dbraw/zinc/59/77/41/352597741.db2.gz JGHQCVJSGDIWEX-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040458547 352597857 /nfs/dbraw/zinc/59/78/57/352597857.db2.gz CSNZCUUSKOQSAD-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)C[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000040831233 352605077 /nfs/dbraw/zinc/60/50/77/352605077.db2.gz VJRSWMSLFTUGKH-NWDGAFQWSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[NH+](CCNC(=O)[C@@H](C)C[NH3+])C(C)C ZINC000044797467 352657363 /nfs/dbraw/zinc/65/73/63/352657363.db2.gz FEBRJGYGZKHWMV-NSHDSACASA-N 2 0 229.368 0.816 20 0 BCADRP CC(C)CNC(=O)CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000122300545 352662717 /nfs/dbraw/zinc/66/27/17/352662717.db2.gz URUMEQSODDSXCU-QWRGUYRKSA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H](C)[NH3+] ZINC000638766378 352703223 /nfs/dbraw/zinc/70/32/23/352703223.db2.gz VESWHXXYGGEGER-LMLFDSFASA-N 2 0 227.352 0.472 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000638766472 352703251 /nfs/dbraw/zinc/70/32/51/352703251.db2.gz YGDLMZXCQXLQTO-GARJFASQSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC[N@@H+]1C ZINC000638764807 352703988 /nfs/dbraw/zinc/70/39/88/352703988.db2.gz AUBKQKYZMCYAQY-NNYUYHANSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000638765153 352704037 /nfs/dbraw/zinc/70/40/37/352704037.db2.gz KBECIVXTMBDTEY-GXFFZTMASA-N 2 0 247.342 0.668 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000638768306 352706055 /nfs/dbraw/zinc/70/60/55/352706055.db2.gz VBBRCESZAAZEAT-UMNHJUIQSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC000638766806 352706734 /nfs/dbraw/zinc/70/67/34/352706734.db2.gz XIEILKSYFZOMQO-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1coc(C[NH3+])c1 ZINC000638767957 352708058 /nfs/dbraw/zinc/70/80/58/352708058.db2.gz NHRIQQUDUZVASV-OIBJUYFYSA-N 2 0 223.276 0.219 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638767995 352708909 /nfs/dbraw/zinc/70/89/09/352708909.db2.gz OYBMOOIDZFEVCJ-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000638773254 352713810 /nfs/dbraw/zinc/71/38/10/352713810.db2.gz MNCJBLZDJLBNCI-SDDRHHMPSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638772979 352714035 /nfs/dbraw/zinc/71/40/35/352714035.db2.gz CVGAFOJMWSIXIF-LPEHRKFASA-N 2 0 213.325 0.226 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000638773694 352714192 /nfs/dbraw/zinc/71/41/92/352714192.db2.gz NLLQHPKDKMSHOV-VHSXEESVSA-N 2 0 237.347 0.515 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000638773817 352720445 /nfs/dbraw/zinc/72/04/45/352720445.db2.gz RMLAWPQTORWUDE-JOYOIKCWSA-N 2 0 233.315 0.626 20 0 BCADRP [NH3+]CCc1ccccc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000638791222 352751932 /nfs/dbraw/zinc/75/19/32/352751932.db2.gz FLYZUYSXTRGNJC-LLVKDONJSA-N 2 0 233.315 0.280 20 0 BCADRP C[C@@H](CC(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000638793390 352756544 /nfs/dbraw/zinc/75/65/44/352756544.db2.gz VXZQZZVEQCONOK-SDDRHHMPSA-N 2 0 239.363 0.490 20 0 BCADRP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000334182207 352770660 /nfs/dbraw/zinc/77/06/60/352770660.db2.gz FFIXPPCOEZLUIA-GHMZBOCLSA-N 2 0 225.336 0.291 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CC[NH2+]1 ZINC000334218416 352819424 /nfs/dbraw/zinc/81/94/24/352819424.db2.gz YEEJMIBQAHRYRO-ZYHUDNBSSA-N 2 0 237.347 0.481 20 0 BCADRP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000334221155 352824454 /nfs/dbraw/zinc/82/44/54/352824454.db2.gz WKJNROUNVWTACV-WDEREUQCSA-N 2 0 225.336 0.006 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)NCC[NH2+]C2CC2)C[NH2+]1 ZINC000627068961 363200420 /nfs/dbraw/zinc/20/04/20/363200420.db2.gz NYBRSJBDJYWJGZ-MWLCHTKSSA-N 2 0 240.351 0.178 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000638854070 353024823 /nfs/dbraw/zinc/02/48/23/353024823.db2.gz NEQOSNKSCDQFSD-RYUDHWBXSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638845850 353026280 /nfs/dbraw/zinc/02/62/80/353026280.db2.gz WQNSVSKKBAIQAM-JTQLQIEISA-N 2 0 247.342 0.543 20 0 BCADRP CN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000638854887 353032256 /nfs/dbraw/zinc/03/22/56/353032256.db2.gz VQALDSLAJCAAIB-CHWSQXEVSA-N 2 0 249.358 0.587 20 0 BCADRP C[NH2+]CC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000638858721 353035533 /nfs/dbraw/zinc/03/55/33/353035533.db2.gz CAQYLTRXTWORNH-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N2CCCCC[C@H]([NH3+])C2)C1 ZINC000638814861 352995403 /nfs/dbraw/zinc/99/54/03/352995403.db2.gz IWPQSJYGQXMOEP-RYUDHWBXSA-N 2 0 237.347 0.764 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CCCCC[C@H]([NH3+])C2)C1 ZINC000638814607 352995490 /nfs/dbraw/zinc/99/54/90/352995490.db2.gz FRLVYEQSOXGWTL-DCAQKATOSA-N 2 0 225.336 0.454 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000638815106 352995612 /nfs/dbraw/zinc/99/56/12/352995612.db2.gz FANNNEUOUMOEMK-VXGBXAGGSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+][C@@H](C(=O)N1CCCCC[C@H]([NH3+])C1)C1CCC1 ZINC000638816520 352997091 /nfs/dbraw/zinc/99/70/91/352997091.db2.gz NRRXDZUJWJNEIA-NWDGAFQWSA-N 2 0 239.363 0.844 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638816839 352998070 /nfs/dbraw/zinc/99/80/70/352998070.db2.gz VSBJSJLKPQFHNF-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638818931 352999752 /nfs/dbraw/zinc/99/97/52/352999752.db2.gz GAQCKYFCJCYHOD-GARJFASQSA-N 2 0 227.352 0.700 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000638819617 352999786 /nfs/dbraw/zinc/99/97/86/352999786.db2.gz LOAMJACIRPFZRX-NEPJUHHUSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]CCC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638820152 353000448 /nfs/dbraw/zinc/00/04/48/353000448.db2.gz RRMYWDHGQRNLSR-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638822325 353003447 /nfs/dbraw/zinc/00/34/47/353003447.db2.gz ISQNIKNUDMMQIV-MNOVXSKESA-N 2 0 227.352 0.700 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000638823041 353004497 /nfs/dbraw/zinc/00/44/97/353004497.db2.gz OLYLBFASAZMKDI-GHMZBOCLSA-N 2 0 225.336 0.468 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000638823845 353005264 /nfs/dbraw/zinc/00/52/64/353005264.db2.gz YLERHHIQLCMVNB-NEPJUHHUSA-N 2 0 239.363 0.858 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916048 353077131 /nfs/dbraw/zinc/07/71/31/353077131.db2.gz VWTYFVJQSPEKON-GVXVVHGQSA-N 2 0 245.326 0.568 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@H]1C[NH3+] ZINC000638903102 353064345 /nfs/dbraw/zinc/06/43/45/353064345.db2.gz NAWGHKJNSCQNFM-WRWGMCAJSA-N 2 0 239.363 0.557 20 0 BCADRP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638909419 353066340 /nfs/dbraw/zinc/06/63/40/353066340.db2.gz HETPAYYNTKRQPB-NWBUJAPZSA-N 2 0 249.358 0.480 20 0 BCADRP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638909420 353066402 /nfs/dbraw/zinc/06/64/02/353066402.db2.gz HETPAYYNTKRQPB-SJHCENCUSA-N 2 0 249.358 0.480 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915913 353071541 /nfs/dbraw/zinc/07/15/41/353071541.db2.gz PQITVTUISXMYAC-DCAQKATOSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914575 353073320 /nfs/dbraw/zinc/07/33/20/353073320.db2.gz BLFGHCZNUXDSGL-MEWQQHAOSA-N 2 0 237.347 0.467 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638880461 353048185 /nfs/dbraw/zinc/04/81/85/353048185.db2.gz LSUYVDVFBDAWEQ-QWHCGFSZSA-N 2 0 249.358 0.800 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000638896517 353057444 /nfs/dbraw/zinc/05/74/44/353057444.db2.gz WVDOAFXRUKQSNH-OUAUKWLOSA-N 2 0 225.336 0.039 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638920024 353078887 /nfs/dbraw/zinc/07/88/87/353078887.db2.gz YLKHOJFHUUMPAN-GARJFASQSA-N 2 0 223.320 0.091 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916905 353080622 /nfs/dbraw/zinc/08/06/22/353080622.db2.gz GYINGFXHRKYATG-GARJFASQSA-N 2 0 225.336 0.323 20 0 BCADRP O=C(N1C[C@@H]2C[C@H]1C[NH2+]2)C1([NH2+]C2CC2)CCC1 ZINC000638916915 353080728 /nfs/dbraw/zinc/08/07/28/353080728.db2.gz HRUNKCHVEBHZFT-QWRGUYRKSA-N 2 0 235.331 0.234 20 0 BCADRP [NH3+][C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000638919078 353083603 /nfs/dbraw/zinc/08/36/03/353083603.db2.gz XJBKRIJZEABCSJ-XQQFMLRXSA-N 2 0 245.326 0.649 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925428 353086315 /nfs/dbraw/zinc/08/63/15/353086315.db2.gz PSVKQYHLPMSWEU-GARJFASQSA-N 2 0 225.336 0.337 20 0 BCADRP O=C([C@@H]1CCC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638927089 353087535 /nfs/dbraw/zinc/08/75/35/353087535.db2.gz PHJPPRKEXVYFRS-UTUOFQBUSA-N 2 0 237.347 0.339 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638929841 353090375 /nfs/dbraw/zinc/09/03/75/353090375.db2.gz IDTQADQQRNSJMX-BDAKNGLRSA-N 2 0 237.303 0.608 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc2c1C[NH2+]C2 ZINC000638929793 353090414 /nfs/dbraw/zinc/09/04/14/353090414.db2.gz HTBJGPHDRDVXEE-MWLCHTKSSA-N 2 0 245.326 0.852 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC[N@@H+]1C ZINC000638931534 353093019 /nfs/dbraw/zinc/09/30/19/353093019.db2.gz PXUXJPWQRKKRSE-WHOHXGKFSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000638931997 353093696 /nfs/dbraw/zinc/09/36/96/353093696.db2.gz UBIAEELIFUUUJE-VPOLOUISSA-N 2 0 225.336 0.452 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638932059 353093760 /nfs/dbraw/zinc/09/37/60/353093760.db2.gz QVBIGSLDRSFBDX-OPRDCNLKSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000638933909 353096841 /nfs/dbraw/zinc/09/68/41/353096841.db2.gz DAOIVDIDEZSJAU-YFKTTZPYSA-N 2 0 239.363 0.807 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638929343 353099164 /nfs/dbraw/zinc/09/91/64/353099164.db2.gz FXPGCWXYYZJEBP-MXWKQRLJSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638929347 353099229 /nfs/dbraw/zinc/09/92/29/353099229.db2.gz FXPGCWXYYZJEBP-VWYCJHECSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C1CC[NH+](C)CC1 ZINC000638935108 353099865 /nfs/dbraw/zinc/09/98/65/353099865.db2.gz LWCGPBYSLIWAPR-KOLCDFICSA-N 2 0 225.336 0.276 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638943117 353141351 /nfs/dbraw/zinc/14/13/51/353141351.db2.gz PGBGUWQEUQIKPR-SRVKXCTJSA-N 2 0 241.379 0.994 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638941957 353134584 /nfs/dbraw/zinc/13/45/84/353134584.db2.gz AKJBODOBBSYJOR-KKOKHZNYSA-N 2 0 241.379 0.994 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C[NH2+]CC2CC2)CC1 ZINC000638941994 353135039 /nfs/dbraw/zinc/13/50/39/353135039.db2.gz BHPBLWOZELDNLG-UMSPYCQHSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc2nccn2c1 ZINC000638938387 353118242 /nfs/dbraw/zinc/11/82/42/353118242.db2.gz XMGIDXCRFIFXPA-MWLCHTKSSA-N 2 0 244.298 0.896 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)CC1CC[NH2+]CC1 ZINC000638945854 353147535 /nfs/dbraw/zinc/14/75/35/353147535.db2.gz IYCASTUGTPQTKL-GXSJLCMTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)CC1CC[NH2+]CC1 ZINC000638945857 353147707 /nfs/dbraw/zinc/14/77/07/353147707.db2.gz IYCASTUGTPQTKL-ONGXEEELSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638945865 353147854 /nfs/dbraw/zinc/14/78/54/353147854.db2.gz JFMFWGIUFVCEJS-NXEZZACHSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)CCC(C)(C)[NH3+] ZINC000638945191 353148840 /nfs/dbraw/zinc/14/88/40/353148840.db2.gz CHRKNJVWLQIZOG-IUCAKERBSA-N 2 0 213.325 0.452 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)[NH+](C)C ZINC000638950641 353153750 /nfs/dbraw/zinc/15/37/50/353153750.db2.gz LEZKIUHTOIOCHL-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638950782 353153791 /nfs/dbraw/zinc/15/37/91/353153791.db2.gz SPGIKNOAZRRORQ-XYPYZODXSA-N 2 0 227.352 0.618 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638967202 353175161 /nfs/dbraw/zinc/17/51/61/353175161.db2.gz KBVNTXKVEQFNJU-DCAQKATOSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@]1(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCC[NH2+]1 ZINC000638967973 353175745 /nfs/dbraw/zinc/17/57/45/353175745.db2.gz MLWDXQLBUMWTDW-GVXVVHGQSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC000638967983 353175813 /nfs/dbraw/zinc/17/58/13/353175813.db2.gz MXEFDNMQFLZWFD-CIUDSAMLSA-N 2 0 249.305 0.603 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638971588 353178927 /nfs/dbraw/zinc/17/89/27/353178927.db2.gz ZZZLPGABYJCBIZ-BJDJZHNGSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638971590 353179193 /nfs/dbraw/zinc/17/91/93/353179193.db2.gz ZZZLPGABYJCBIZ-FIQHERPVSA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@]1(C(=O)NC[C@H]2CCCC[NH2+]2)CCC[NH2+]1 ZINC000134366783 538112009 /nfs/dbraw/zinc/11/20/09/538112009.db2.gz ICLQLPSZBUUXAR-DGCLKSJQSA-N 2 0 239.363 0.777 20 0 BCADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)[NH3+] ZINC000037001286 188151893 /nfs/dbraw/zinc/15/18/93/188151893.db2.gz LXDJCPSHEJRFDS-NXEZZACHSA-N 2 0 215.341 0.426 20 0 BCADRP CC(C)[C@H](C(=O)NCCCC[NH3+])[NH+](C)C ZINC000236719892 188149334 /nfs/dbraw/zinc/14/93/34/188149334.db2.gz NCDIPTMZANEZAU-SNVBAGLBSA-N 2 0 215.341 0.428 20 0 BCADRP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000121318253 324011028 /nfs/dbraw/zinc/01/10/28/324011028.db2.gz KZBUNNCWHGWCDJ-IJLUTSLNSA-N 2 0 212.337 0.974 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)NCC2CC2)C1 ZINC000070074112 353253381 /nfs/dbraw/zinc/25/33/81/353253381.db2.gz ANNRXCXAEXSQAJ-LBPRGKRZSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@@H](O)C[N@H+](C)[C@@H]1CCC[NH+](C[C@H](C)O)CC1 ZINC000337183129 188185294 /nfs/dbraw/zinc/18/52/94/188185294.db2.gz NLKRIBFZIWECIU-FRRDWIJNSA-N 2 0 244.379 0.534 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC000627074114 363210142 /nfs/dbraw/zinc/21/01/42/363210142.db2.gz NIKCYXRMNZVYJD-OUAUKWLOSA-N 2 0 240.351 0.178 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCCN1CCC1 ZINC000337611768 188186804 /nfs/dbraw/zinc/18/68/04/188186804.db2.gz YYUMNUXYVOFRPK-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCC[NH2+]2)C[NH2+]1 ZINC000627074113 363210303 /nfs/dbraw/zinc/21/03/03/363210303.db2.gz NIKCYXRMNZVYJD-MXWKQRLJSA-N 2 0 240.351 0.178 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC1(C[NH3+])CCCCC1 ZINC000638996938 353242447 /nfs/dbraw/zinc/24/24/47/353242447.db2.gz RADHJLPRXLXYSQ-WDEREUQCSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]CC1(NC(=O)[C@H]2CCC[NH2+]2)CCCCC1 ZINC000639000810 353244401 /nfs/dbraw/zinc/24/44/01/353244401.db2.gz CWMXMNRDUQNRJM-SNVBAGLBSA-N 2 0 225.336 0.516 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000639018999 353275058 /nfs/dbraw/zinc/27/50/58/353275058.db2.gz AZVIYNUVOGSASP-DDHJBXDOSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000129219148 188220865 /nfs/dbraw/zinc/22/08/65/188220865.db2.gz UKEFIKKOPRYDIB-SNVBAGLBSA-N 2 0 227.352 0.298 20 0 BCADRP CC(C)CNC(=O)[C@H](C)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000131737842 188221975 /nfs/dbraw/zinc/22/19/75/188221975.db2.gz DSUPUTNNAVTPDQ-GRYCIOLGSA-N 2 0 241.379 0.816 20 0 BCADRP O=C([C@H]1CCC[NH2+]1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639026359 353278342 /nfs/dbraw/zinc/27/83/42/353278342.db2.gz DSFFKAKARBQOJP-TUAOUCFPSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)CC2CC[NH2+]CC2)CC1 ZINC000639022669 353278431 /nfs/dbraw/zinc/27/84/31/353278431.db2.gz PCMWWGBIIUJJSR-HAQNSBGRSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639021904 353280066 /nfs/dbraw/zinc/28/00/66/353280066.db2.gz OIHVYZAFFDUIJS-HBNTYKKESA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000577858870 366086973 /nfs/dbraw/zinc/08/69/73/366086973.db2.gz AZNBIYRNKHBREZ-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639025170 353284367 /nfs/dbraw/zinc/28/43/67/353284367.db2.gz YSKUEBJGZDKFRI-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000639025669 353285095 /nfs/dbraw/zinc/28/50/95/353285095.db2.gz ZOEYCVMFDHYAMC-LLVKDONJSA-N 2 0 247.342 0.760 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1NCCC[NH+](C)C ZINC000122116842 324029708 /nfs/dbraw/zinc/02/97/08/324029708.db2.gz YSCZKPPXZQUTQB-RYUDHWBXSA-N 2 0 213.369 0.868 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000639021861 353279919 /nfs/dbraw/zinc/27/99/19/353279919.db2.gz OFMOTLNHGGKRLA-UPJWGTAASA-N 2 0 249.358 0.634 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)co1 ZINC000639031024 353298405 /nfs/dbraw/zinc/29/84/05/353298405.db2.gz OATLHBMXVGJECH-MGCOHNPYSA-N 2 0 237.303 0.738 20 0 BCADRP C[NH+](C)C1CCC([NH2+]CCC(N)=O)CC1 ZINC000577859721 366087286 /nfs/dbraw/zinc/08/72/86/366087286.db2.gz IBWAPGMHRODTPP-UHFFFAOYSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)N[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000639031961 353301366 /nfs/dbraw/zinc/30/13/66/353301366.db2.gz JMQVVGKPGUMSQK-FIQHERPVSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000252857654 353312219 /nfs/dbraw/zinc/31/22/19/353312219.db2.gz LLOUMQKGFNBOFO-DCAQKATOSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccnn1C ZINC000253191544 353317877 /nfs/dbraw/zinc/31/78/77/353317877.db2.gz MEHGHSIOTSYCJR-CMPLNLGQSA-N 2 0 222.336 0.850 20 0 BCADRP C[C@@H](C(=O)NCC1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000165391014 353337678 /nfs/dbraw/zinc/33/76/78/353337678.db2.gz LCTRCRNDIIHOPA-ZJUUUORDSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000165381049 353326311 /nfs/dbraw/zinc/32/63/11/353326311.db2.gz NAWJRUGVSFKBAI-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627077253 363218757 /nfs/dbraw/zinc/21/87/57/363218757.db2.gz YHWQRATXXWJATN-GMTAPVOTSA-N 2 0 242.367 0.409 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000336774349 353422257 /nfs/dbraw/zinc/42/22/57/353422257.db2.gz ZLGMDMHXMZIUNR-MRVPVSSYSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627078506 363222522 /nfs/dbraw/zinc/22/25/22/363222522.db2.gz AOHWVHHGZJLEKX-VHSXEESVSA-N 2 0 240.351 0.165 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000165605017 353405753 /nfs/dbraw/zinc/40/57/53/353405753.db2.gz BSOWTVUKSDCEEQ-RYUDHWBXSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627080805 363225941 /nfs/dbraw/zinc/22/59/41/363225941.db2.gz HITUKXZMXOVVKL-GHMZBOCLSA-N 2 0 242.367 0.426 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000572481627 324122330 /nfs/dbraw/zinc/12/23/30/324122330.db2.gz SLRIQLDIWYCSOC-UMNHJUIQSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000165687658 353453160 /nfs/dbraw/zinc/45/31/60/353453160.db2.gz CBQHFVYONRBHMQ-NWDGAFQWSA-N 2 0 239.363 0.811 20 0 BCADRP C[NH2+]CCC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000574986409 353514102 /nfs/dbraw/zinc/51/41/02/353514102.db2.gz ILVKXRTZEVNHHF-GHMZBOCLSA-N 2 0 227.352 0.395 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368645532 188428000 /nfs/dbraw/zinc/42/80/00/188428000.db2.gz GJDRWVLPSGDTCH-UWVGGRQHSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000193523024 353591733 /nfs/dbraw/zinc/59/17/33/353591733.db2.gz TVILRYQEMNMYLR-GVXVVHGQSA-N 2 0 239.363 0.775 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377807179 188433955 /nfs/dbraw/zinc/43/39/55/188433955.db2.gz ODGTTXPZBTUPQA-WDEREUQCSA-N 2 0 239.363 0.476 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000627086071 363237784 /nfs/dbraw/zinc/23/77/84/363237784.db2.gz GESXFASROVBKNE-HBNTYKKESA-N 2 0 240.351 0.178 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000627086548 363240593 /nfs/dbraw/zinc/24/05/93/363240593.db2.gz VJTOOPZJNBQWNQ-YTWAJWBKSA-N 2 0 240.351 0.034 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000627088304 363241340 /nfs/dbraw/zinc/24/13/40/363241340.db2.gz PNJNEJNOLZMBKG-XWLWVQCSSA-N 2 0 240.351 0.306 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627094221 363252269 /nfs/dbraw/zinc/25/22/69/363252269.db2.gz ZMMQAVRIYKOFFX-OUAUKWLOSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000627096241 363253505 /nfs/dbraw/zinc/25/35/05/363253505.db2.gz SWIFHCUXDYBTIH-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627096019 363253528 /nfs/dbraw/zinc/25/35/28/363253528.db2.gz OQIOEGUEHZETJJ-MXWKQRLJSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627096619 363253546 /nfs/dbraw/zinc/25/35/46/363253546.db2.gz XOMTWNXGWGGRJW-KXUCPTDWSA-N 2 0 228.340 0.163 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627096997 363257103 /nfs/dbraw/zinc/25/71/03/363257103.db2.gz CLWJNUKPJBJUNP-GUBZILKMSA-N 2 0 228.340 0.163 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627097053 363257315 /nfs/dbraw/zinc/25/73/15/363257315.db2.gz CLWJNUKPJBJUNP-UTLUCORTSA-N 2 0 228.340 0.163 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000627102461 363261754 /nfs/dbraw/zinc/26/17/54/363261754.db2.gz NCOZJEAKQFEEET-UWVGGRQHSA-N 2 0 228.340 0.104 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000220087490 353816326 /nfs/dbraw/zinc/81/63/26/353816326.db2.gz XHCJYEMXDPKYJV-MNOVXSKESA-N 2 0 241.379 0.688 20 0 BCADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000178408394 366122435 /nfs/dbraw/zinc/12/24/35/366122435.db2.gz LGTYHQVYMJTAJC-QWRGUYRKSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)[C@@H]1C ZINC000343432620 353884318 /nfs/dbraw/zinc/88/43/18/353884318.db2.gz HHEMNJKRJVMOOC-KXNHARMFSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000343437018 353886134 /nfs/dbraw/zinc/88/61/34/353886134.db2.gz MZCVDMQWJTUQIA-VWYCJHECSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627106244 363265626 /nfs/dbraw/zinc/26/56/26/363265626.db2.gz GVXUIPJBTHFWCN-XWLWVQCSSA-N 2 0 242.367 0.552 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC1CCC(C[NH3+])CC1 ZINC000343637696 353950246 /nfs/dbraw/zinc/95/02/46/353950246.db2.gz IVUDDXCLIQLYPK-VOMCLLRMSA-N 2 0 241.379 0.723 20 0 BCADRP COCC[C@H](CO)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000343589339 353940863 /nfs/dbraw/zinc/94/08/63/353940863.db2.gz GOBVCGSQBKDSFO-NQBHXWOUSA-N 2 0 242.363 0.456 20 0 BCADRP COCC[C@H](CO)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000343589337 353941207 /nfs/dbraw/zinc/94/12/07/353941207.db2.gz GOBVCGSQBKDSFO-DMDPSCGWSA-N 2 0 242.363 0.456 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NCC1CCC(C[NH3+])CC1 ZINC000343590472 353942068 /nfs/dbraw/zinc/94/20/68/353942068.db2.gz HXKVXYKNIBSACX-MCIGGMRASA-N 2 0 241.379 0.995 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000343660211 353943317 /nfs/dbraw/zinc/94/33/17/353943317.db2.gz LWIZWXRTVUGVAI-JFGNBEQYSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000343644695 353951972 /nfs/dbraw/zinc/95/19/72/353951972.db2.gz CXALTHLZFISFQA-DBIOUOCHSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000343645936 353952462 /nfs/dbraw/zinc/95/24/62/353952462.db2.gz RUVVOFTUHHBZGF-JFGNBEQYSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000343645933 353952575 /nfs/dbraw/zinc/95/25/75/353952575.db2.gz RUVVOFTUHHBZGF-CKYFFXLPSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000343647457 353952936 /nfs/dbraw/zinc/95/29/36/353952936.db2.gz TVRLAPHLYGQFSS-JLLWLGSASA-N 2 0 233.315 0.635 20 0 BCADRP CCN(CC[NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000627117468 363283741 /nfs/dbraw/zinc/28/37/41/363283741.db2.gz WMPVUSVAFTZSTO-SNVBAGLBSA-N 2 0 230.356 0.350 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC1(C[NH+](C)C)CCC1 ZINC000343822283 354014673 /nfs/dbraw/zinc/01/46/73/354014673.db2.gz VJUKRWQTKBHRNA-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449653583 201994252 /nfs/dbraw/zinc/99/42/52/201994252.db2.gz CKFWCSWJHWDHIX-XHNCKOQMSA-N 2 0 249.305 0.473 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627121124 363288359 /nfs/dbraw/zinc/28/83/59/363288359.db2.gz WAXXIVPUSZXKTB-LPEHRKFASA-N 2 0 228.340 0.034 20 0 BCADRP CC[N@H+](CC(=O)N(C)CC[NH+](C)C)C1CC1 ZINC000344022749 354084010 /nfs/dbraw/zinc/08/40/10/354084010.db2.gz ZWOCDLCIDVVNLO-UHFFFAOYSA-N 2 0 227.352 0.491 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627127090 363296794 /nfs/dbraw/zinc/29/67/94/363296794.db2.gz SAUAAQFORFNERH-SNVBAGLBSA-N 2 0 240.351 0.261 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000131922550 188580929 /nfs/dbraw/zinc/58/09/29/188580929.db2.gz VJHBWHVNXBXWGV-DGCLKSJQSA-N 2 0 241.379 0.866 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)C1(C[NH3+])CCC1 ZINC000449682016 202002650 /nfs/dbraw/zinc/00/26/50/202002650.db2.gz FPXPPSJRUHIBOJ-UHFFFAOYSA-N 2 0 227.352 0.668 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000449702301 202004578 /nfs/dbraw/zinc/00/45/78/202004578.db2.gz DMCSCSSNKXSNSM-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000449709633 202006766 /nfs/dbraw/zinc/00/67/66/202006766.db2.gz ZTEOBXXIYQOUNJ-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000449727465 202009374 /nfs/dbraw/zinc/00/93/74/202009374.db2.gz PZDGABNLPMJJPH-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000449727542 202009401 /nfs/dbraw/zinc/00/94/01/202009401.db2.gz QMUWSLBUSWBUBM-DMDPSCGWSA-N 2 0 239.363 0.762 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449746559 202018422 /nfs/dbraw/zinc/01/84/22/202018422.db2.gz GJUGJBBXCJMQNG-MNOVXSKESA-N 2 0 225.336 0.149 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000334582481 354202052 /nfs/dbraw/zinc/20/20/52/354202052.db2.gz QQLTYFVSCKLUQN-HTQZYQBOSA-N 2 0 249.305 0.473 20 0 BCADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC1C[NH2+]C1 ZINC000334598009 354232587 /nfs/dbraw/zinc/23/25/87/354232587.db2.gz RKVWIOPPGHBNOH-NEPJUHHUSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCC1C[NH2+]C1 ZINC000334598010 354232867 /nfs/dbraw/zinc/23/28/67/354232867.db2.gz RKVWIOPPGHBNOH-NWDGAFQWSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)[NH+](C)C ZINC000344700171 354336226 /nfs/dbraw/zinc/33/62/26/354336226.db2.gz JGRYBLYOZRDGTI-TUAOUCFPSA-N 2 0 241.379 0.926 20 0 BCADRP CN(C(=O)[C@@H]1CCC[NH2+]C1)C1(C[NH3+])CCC1 ZINC000334622038 354359758 /nfs/dbraw/zinc/35/97/58/354359758.db2.gz YHFULAFKGGUBSH-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+][C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)C1CCC1 ZINC000578011016 366177248 /nfs/dbraw/zinc/17/72/48/366177248.db2.gz LZQMALJYFFRFDD-ONGXEEELSA-N 2 0 225.336 0.230 20 0 BCADRP C[NH+]1CCC(C(=O)NC(C)(C)CC[NH3+])CC1 ZINC000578016017 366181578 /nfs/dbraw/zinc/18/15/78/366181578.db2.gz HUWSNMANMKQUDP-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000178945557 366187385 /nfs/dbraw/zinc/18/73/85/366187385.db2.gz HVILLWBBZPYXTD-SDDRHHMPSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000578024054 366188428 /nfs/dbraw/zinc/18/84/28/366188428.db2.gz LYXSCGWVQQSVBY-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000578027697 366192720 /nfs/dbraw/zinc/19/27/20/366192720.db2.gz GYGQJXYRYYQYCH-LBPRGKRZSA-N 2 0 247.342 0.540 20 0 BCADRP COC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000578064712 366211274 /nfs/dbraw/zinc/21/12/74/366211274.db2.gz QBZHZFXVOSRSFW-RYUDHWBXSA-N 2 0 230.352 0.315 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000334659604 354456753 /nfs/dbraw/zinc/45/67/53/354456753.db2.gz AYNLVZRDFSMIDZ-LLVKDONJSA-N 2 0 237.347 0.565 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000334659851 354457023 /nfs/dbraw/zinc/45/70/23/354457023.db2.gz GYBBYKXWUOORMM-ZJUUUORDSA-N 2 0 225.336 0.243 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000334659954 354457484 /nfs/dbraw/zinc/45/74/84/354457484.db2.gz IBMXSADSPUHIMV-ZJUUUORDSA-N 2 0 225.336 0.385 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000334659950 354457501 /nfs/dbraw/zinc/45/75/01/354457501.db2.gz IBMXSADSPUHIMV-NXEZZACHSA-N 2 0 225.336 0.385 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000334710269 354506769 /nfs/dbraw/zinc/50/67/69/354506769.db2.gz JLIMATXAXBHEBR-GHMZBOCLSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[NH2+][C@H](C)C1)[C@H](C)[NH3+] ZINC000422832786 192483092 /nfs/dbraw/zinc/48/30/92/192483092.db2.gz FYKASYDBYVBKKS-OUAUKWLOSA-N 2 0 227.352 0.426 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NCC[NH2+]CC ZINC000418319717 491066347 /nfs/dbraw/zinc/06/63/47/491066347.db2.gz RKPZUEJTEGHKDJ-JTQLQIEISA-N 2 0 230.356 0.413 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1CC[N@H+](C)C[C@@H]1C ZINC000232613061 363377061 /nfs/dbraw/zinc/37/70/61/363377061.db2.gz LAJDIELQEJRPFV-NWDGAFQWSA-N 2 0 213.369 0.996 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000345787551 354767345 /nfs/dbraw/zinc/76/73/45/354767345.db2.gz ITLGSKLZGVDMEB-LOWVWBTDSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000345787550 354767518 /nfs/dbraw/zinc/76/75/18/354767518.db2.gz ITLGSKLZGVDMEB-GVXVVHGQSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000166024888 354793564 /nfs/dbraw/zinc/79/35/64/354793564.db2.gz XZJXJPHWHVAZMN-GMTAPVOTSA-N 2 0 227.352 0.570 20 0 BCADRP COC[C@](C)(O)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000639217193 354867582 /nfs/dbraw/zinc/86/75/82/354867582.db2.gz QVDQJTDIUHZZCX-FRRDWIJNSA-N 2 0 244.379 0.846 20 0 BCADRP NC(=O)C[C@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000346271482 354886472 /nfs/dbraw/zinc/88/64/72/354886472.db2.gz DHWFMOFTULFTOC-LLVKDONJSA-N 2 0 236.319 0.471 20 0 BCADRP [NH3+]CC1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000346686940 355013206 /nfs/dbraw/zinc/01/32/06/355013206.db2.gz LANZINQSPVQVLX-UHFFFAOYSA-N 2 0 245.330 0.900 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000335183216 355080961 /nfs/dbraw/zinc/08/09/61/355080961.db2.gz DFXIFKRMUGCTDY-GHMZBOCLSA-N 2 0 237.347 0.326 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000335185574 355083952 /nfs/dbraw/zinc/08/39/52/355083952.db2.gz BXYCOEDQMKZPBS-RYUDHWBXSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000335213583 355050993 /nfs/dbraw/zinc/05/09/93/355050993.db2.gz IXEVKILGKCEVSK-ZJUUUORDSA-N 2 0 227.352 0.557 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000335215353 355053244 /nfs/dbraw/zinc/05/32/44/355053244.db2.gz HXVFLOAGIUCXIV-AAEUAGOBSA-N 2 0 237.347 0.150 20 0 BCADRP CNc1nc(NCCCC[NH3+])nc2ccccc21 ZINC000420231415 192180662 /nfs/dbraw/zinc/18/06/62/192180662.db2.gz KDOGKTAESVOUQL-UHFFFAOYSA-N 2 0 245.330 0.666 20 0 BCADRP CC1(C)CN(C(=O)CC2(C[NH3+])CC2)CC[NH2+]1 ZINC000335232181 355093138 /nfs/dbraw/zinc/09/31/38/355093138.db2.gz NOGASLDEELTEJA-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP COC(=O)[C@@]1(C)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000346954341 355166454 /nfs/dbraw/zinc/16/64/54/355166454.db2.gz AWVQAWQHZPVFBQ-ZDUSSCGKSA-N 2 0 240.347 0.871 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346830210 355128637 /nfs/dbraw/zinc/12/86/37/355128637.db2.gz KEFQTFQGADACJW-WDEREUQCSA-N 2 0 226.320 0.481 20 0 BCADRP COC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346835823 355131555 /nfs/dbraw/zinc/13/15/55/355131555.db2.gz OENFHLQAOLKLIA-NWDGAFQWSA-N 2 0 240.347 0.871 20 0 BCADRP C[NH+](C)C[C@@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000346842133 355134206 /nfs/dbraw/zinc/13/42/06/355134206.db2.gz WPCZKKNERTWWAR-CYBMUJFWSA-N 2 0 241.379 0.248 20 0 BCADRP COCC[N@@H+]1CCN(CC(C)(C)[NH3+])C[C@@H]1C ZINC000346845271 355135348 /nfs/dbraw/zinc/13/53/48/355135348.db2.gz MOKDNVQRMGKIMJ-NSHDSACASA-N 2 0 229.368 0.376 20 0 BCADRP CNC(=O)c1ccc(C[N@H+](C)CCC[NH3+])cc1 ZINC000347006373 355202538 /nfs/dbraw/zinc/20/25/38/355202538.db2.gz PZXSJQRMKSMSBW-UHFFFAOYSA-N 2 0 235.331 0.827 20 0 BCADRP Cn1nnc2cc(CN3CCC[C@H]3C[NH3+])ccc21 ZINC000347015448 355205643 /nfs/dbraw/zinc/20/56/43/355205643.db2.gz JGRZJGIHDQLGJL-NSHDSACASA-N 2 0 245.330 0.891 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000335280268 355244197 /nfs/dbraw/zinc/24/41/97/355244197.db2.gz ILWSPIGOVGIVEP-WDEREUQCSA-N 2 0 223.320 0.077 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000347685311 355269536 /nfs/dbraw/zinc/26/95/36/355269536.db2.gz LCBCJRUMEVTCLL-UTLUCORTSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NC1CC[NH+](C)CC1 ZINC000583498200 355331821 /nfs/dbraw/zinc/33/18/21/355331821.db2.gz CPKUCZUOCNJLGB-ZJUUUORDSA-N 2 0 242.367 0.506 20 0 BCADRP Cn1cc(CCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000314686134 355363154 /nfs/dbraw/zinc/36/31/54/355363154.db2.gz AEMUUEGUMAQGGV-STQMWFEESA-N 2 0 234.347 0.504 20 0 BCADRP Cn1cc(CCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000314686126 355363381 /nfs/dbraw/zinc/36/33/81/355363381.db2.gz AEMUUEGUMAQGGV-CHWSQXEVSA-N 2 0 234.347 0.504 20 0 BCADRP C[C@H]1C[C@@H](O)C[N@@H+]1CCCc1cncn1C ZINC000314638101 355359225 /nfs/dbraw/zinc/35/92/25/355359225.db2.gz UNLTZQONBQVSLW-CMPLNLGQSA-N 2 0 223.320 0.808 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000211760313 355359385 /nfs/dbraw/zinc/35/93/85/355359385.db2.gz JRUABEXCBREGFR-GHMZBOCLSA-N 2 0 227.352 0.380 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000389597582 355360201 /nfs/dbraw/zinc/36/02/01/355360201.db2.gz QXBYCAYCLLWRFF-WCBMZHEXSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000349943485 355533549 /nfs/dbraw/zinc/53/35/49/355533549.db2.gz ZVMVPNZZIZGGPG-KXNHARMFSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000349943487 355533640 /nfs/dbraw/zinc/53/36/40/355533640.db2.gz ZVMVPNZZIZGGPG-WYUUTHIRSA-N 2 0 239.363 0.761 20 0 BCADRP CC(C)(C[NH3+])NC(=O)NCCC1(C[NH3+])CC1 ZINC000652232280 491080693 /nfs/dbraw/zinc/08/06/93/491080693.db2.gz VZANYIXKYDXFIJ-UHFFFAOYSA-N 2 0 228.340 0.152 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000335832612 355559989 /nfs/dbraw/zinc/55/99/89/355559989.db2.gz SUNSGNWISIPHLG-LLVKDONJSA-N 2 0 237.347 0.341 20 0 BCADRP CC[NH2+][C@H](C)CNCC[NH2+]C(C)(C)C ZINC000414964918 191634779 /nfs/dbraw/zinc/63/47/79/191634779.db2.gz VBDFKNBIEVCEBB-SNVBAGLBSA-N 2 0 201.358 0.962 20 0 BCADRP COC(=O)C1(C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000415115051 191682409 /nfs/dbraw/zinc/68/24/09/191682409.db2.gz YGSLITRGOYZICT-QWRGUYRKSA-N 2 0 240.347 0.917 20 0 BCADRP CC(C)([NH3+])CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000335838796 355568263 /nfs/dbraw/zinc/56/82/63/355568263.db2.gz VWNYDFDCHJSHRW-UHFFFAOYSA-N 2 0 233.315 0.757 20 0 BCADRP C[C@@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415068076 191666413 /nfs/dbraw/zinc/66/64/13/191666413.db2.gz VDZNMZDYHJTLEP-KKJSVHSVSA-N 2 0 209.337 0.324 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000582180802 355644081 /nfs/dbraw/zinc/64/40/81/355644081.db2.gz RACKTQMJKDEIEB-BIIVOSGPSA-N 2 0 235.278 0.083 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000416998012 191772534 /nfs/dbraw/zinc/77/25/34/191772534.db2.gz AOOZQCJDEKTWEC-GHMZBOCLSA-N 2 0 244.383 0.753 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000335895523 355690035 /nfs/dbraw/zinc/69/00/35/355690035.db2.gz ZYMODPYWMVXSDB-JQWIXIFHSA-N 2 0 239.363 0.892 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000417303383 191787095 /nfs/dbraw/zinc/78/70/95/191787095.db2.gz SHUPQAROIWFKTB-MNOVXSKESA-N 2 0 242.367 0.378 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@H](C)OC ZINC000166596428 355709481 /nfs/dbraw/zinc/70/94/81/355709481.db2.gz RTXGJCXKPJZTNO-NEPJUHHUSA-N 2 0 232.368 0.968 20 0 BCADRP CC[NH+](CC)CCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000416787733 191758710 /nfs/dbraw/zinc/75/87/10/191758710.db2.gz GXIFAURTHIMABA-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP CC[NH+](CC)CCNC(=O)NC[C@H](C)C[NH3+] ZINC000416799353 191761627 /nfs/dbraw/zinc/76/16/27/191761627.db2.gz PDXMAULGVBHJFM-SNVBAGLBSA-N 2 0 230.356 0.222 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417446803 191843197 /nfs/dbraw/zinc/84/31/97/191843197.db2.gz NHGKKHYJNZEVGU-QWRGUYRKSA-N 2 0 244.383 0.705 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399089191 355836985 /nfs/dbraw/zinc/83/69/85/355836985.db2.gz SNUUCNKEJQXFNK-JQWIXIFHSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000581012600 355842521 /nfs/dbraw/zinc/84/25/21/355842521.db2.gz ITKRTJJFOVWTLS-STQMWFEESA-N 2 0 241.379 0.391 20 0 BCADRP NC(=O)C1([NH2+]Cc2cnc[nH]2)CCCCC1 ZINC000188237103 181214919 /nfs/dbraw/zinc/21/49/19/181214919.db2.gz RRUKIEOVLXZKMI-UHFFFAOYSA-N 2 0 222.292 0.688 20 0 BCADRP NC(=O)CC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000051889772 181220029 /nfs/dbraw/zinc/22/00/29/181220029.db2.gz PBXATSRQMNWIJP-LLVKDONJSA-N 2 0 225.336 0.183 20 0 BCADRP NC(=O)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000043493493 181216892 /nfs/dbraw/zinc/21/68/92/181216892.db2.gz ZQJQDOUXUFMOJC-JTQLQIEISA-N 2 0 225.336 0.183 20 0 BCADRP C[NH2+]CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000428122904 191924195 /nfs/dbraw/zinc/92/41/95/191924195.db2.gz DBEQHMQBWZQDAE-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000417819514 191930086 /nfs/dbraw/zinc/93/00/86/191930086.db2.gz UBWPXGWFIDNRHY-SCVCMEIPSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH2+]CCC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417834725 191933980 /nfs/dbraw/zinc/93/39/80/191933980.db2.gz NIMJSDWOEFWNDA-SNVBAGLBSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417841731 191935106 /nfs/dbraw/zinc/93/51/06/191935106.db2.gz TWSBZSMJLRPJCZ-SCZZXKLOSA-N 2 0 213.325 0.357 20 0 BCADRP CN(CC[NH3+])C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000417843032 191935219 /nfs/dbraw/zinc/93/52/19/191935219.db2.gz QCZQEHZWZXUGHV-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000417846869 191937600 /nfs/dbraw/zinc/93/76/00/191937600.db2.gz UGALMNPSQHWPQC-TUAOUCFPSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000417848278 191937712 /nfs/dbraw/zinc/93/77/12/191937712.db2.gz BFHKXWOYGGWPAK-ZJUUUORDSA-N 2 0 244.383 0.609 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]([NH3+])C(C)C ZINC000167194283 355968152 /nfs/dbraw/zinc/96/81/52/355968152.db2.gz IMZACFKZTYHTHS-WDEREUQCSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000052062738 491086618 /nfs/dbraw/zinc/08/66/18/491086618.db2.gz LMYZDICXSIUDHN-NSHDSACASA-N 2 0 239.363 0.811 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000584350438 356064377 /nfs/dbraw/zinc/06/43/77/356064377.db2.gz JRVJLRVXAUSORY-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000584350195 356062362 /nfs/dbraw/zinc/06/23/62/356062362.db2.gz WEYDSKWBQNQYFT-QWRGUYRKSA-N 2 0 227.352 0.557 20 0 BCADRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](C)C1 ZINC000617555106 356111860 /nfs/dbraw/zinc/11/18/60/356111860.db2.gz PZRFTTSESBFCKY-NWDGAFQWSA-N 2 0 239.363 0.633 20 0 BCADRP CCC[N@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](C)C1 ZINC000617556772 356113998 /nfs/dbraw/zinc/11/39/98/356113998.db2.gz XHUCGKCVRJPWFA-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000335911676 356125436 /nfs/dbraw/zinc/12/54/36/356125436.db2.gz ZRNHNDKFZBFRSN-CHWSQXEVSA-N 3 0 223.364 0.670 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H](C)[NH+](C)C ZINC000418248940 192006642 /nfs/dbraw/zinc/00/66/42/192006642.db2.gz FTBLCTMRUJAJCQ-QWRGUYRKSA-N 2 0 244.383 0.609 20 0 BCADRP C[C@@H](CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[NH+](C)C ZINC000418267340 192009845 /nfs/dbraw/zinc/00/98/45/192009845.db2.gz WJKGADGQYGOEEE-DCAQKATOSA-N 2 0 242.367 0.315 20 0 BCADRP C[C@@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])[NH+](C)C ZINC000418266825 192010364 /nfs/dbraw/zinc/01/03/64/192010364.db2.gz VVCXIRBYHPFRMS-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP Cn1cc(CC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cn1 ZINC000335918414 356163569 /nfs/dbraw/zinc/16/35/69/356163569.db2.gz MFVCZWGZEJGHJL-AWEZNQCLSA-N 2 0 248.374 0.990 20 0 BCADRP Cn1nccc1CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335917778 356164144 /nfs/dbraw/zinc/16/41/44/356164144.db2.gz KNJMMADCVCCTHG-CQSZACIVSA-N 2 0 248.374 0.990 20 0 BCADRP [NH3+]CCCCNC(=O)NCC1([NH3+])CCCCC1 ZINC000418297324 192020085 /nfs/dbraw/zinc/02/00/85/192020085.db2.gz NQKIJFAMVQMPMI-UHFFFAOYSA-N 2 0 242.367 0.686 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCC1([NH3+])CCCCC1 ZINC000418299991 192020707 /nfs/dbraw/zinc/02/07/07/192020707.db2.gz UXLNJCDGZGJGSH-JTQLQIEISA-N 2 0 242.367 0.685 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH3+])C1 ZINC000418307623 192021433 /nfs/dbraw/zinc/02/14/33/192021433.db2.gz DPWXDYSWTQVBDG-NSHDSACASA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCC[NH3+] ZINC000418310212 192022306 /nfs/dbraw/zinc/02/23/06/192022306.db2.gz JJIZEHRXGNOIGE-ZJUUUORDSA-N 2 0 228.340 0.247 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCC[NH3+] ZINC000418310210 192022397 /nfs/dbraw/zinc/02/23/97/192022397.db2.gz JJIZEHRXGNOIGE-UWVGGRQHSA-N 2 0 228.340 0.247 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCCC[NH3+] ZINC000418315291 192022796 /nfs/dbraw/zinc/02/27/96/192022796.db2.gz UNKUJJJYHKKBKP-SNVBAGLBSA-N 2 0 228.340 0.119 20 0 BCADRP CC[NH2+]CCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418314743 192022875 /nfs/dbraw/zinc/02/28/75/192022875.db2.gz FZIMPYLAVSHADB-GFCCVEGCSA-N 2 0 242.367 0.285 20 0 BCADRP CC[NH2+]CCNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000418315705 192023038 /nfs/dbraw/zinc/02/30/38/192023038.db2.gz IHCULXVSLINGPW-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP CC[NH2+]CCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418314744 192023157 /nfs/dbraw/zinc/02/31/57/192023157.db2.gz FZIMPYLAVSHADB-LBPRGKRZSA-N 2 0 242.367 0.285 20 0 BCADRP Cn1cncc1CCN1CCC[N@H+](C)CC1 ZINC000639445928 356227221 /nfs/dbraw/zinc/22/72/21/356227221.db2.gz VQNMOABNRAGZJY-UHFFFAOYSA-N 2 0 222.336 0.600 20 0 BCADRP C[NH2+]CCNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418320143 192023850 /nfs/dbraw/zinc/02/38/50/192023850.db2.gz SSMFTTRIXSFWRW-LLVKDONJSA-N 2 0 242.367 0.413 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)NCCC[NH2+]C1CC1 ZINC000418286138 192014598 /nfs/dbraw/zinc/01/45/98/192014598.db2.gz HABQYEDGXNFFLS-JTQLQIEISA-N 2 0 242.367 0.283 20 0 BCADRP C[NH2+]CCCNC(=O)N(CC[NH+](C)C)C(C)C ZINC000418289043 192015805 /nfs/dbraw/zinc/01/58/05/192015805.db2.gz XCZVTMWTFAITJU-UHFFFAOYSA-N 2 0 244.383 0.578 20 0 BCADRP CO[C@@]1(C[NH2+]C[C@H]2CCC[N@H+](C)C2)CCOC1 ZINC000160079938 356201139 /nfs/dbraw/zinc/20/11/39/356201139.db2.gz IMQXUQKSDLYBRK-CHWSQXEVSA-N 2 0 242.363 0.723 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH3+])C1 ZINC000418293488 192018149 /nfs/dbraw/zinc/01/81/49/192018149.db2.gz FPKWYDIAPXHGQD-SNVBAGLBSA-N 2 0 228.340 0.069 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333150720 356263453 /nfs/dbraw/zinc/26/34/53/356263453.db2.gz FDVCOXPKTZBACC-WDEREUQCSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C2(C)C[NH2+]C2)cc1 ZINC000422882401 192498073 /nfs/dbraw/zinc/49/80/73/192498073.db2.gz APUPPRNVHTUEJZ-SNVBAGLBSA-N 2 0 247.342 0.932 20 0 BCADRP OCC[C@@H]1CSCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420301272 192206171 /nfs/dbraw/zinc/20/61/71/192206171.db2.gz LFZAHWUNCWKNGW-VXGBXAGGSA-N 2 0 244.404 0.786 20 0 BCADRP CCOC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420299638 192206214 /nfs/dbraw/zinc/20/62/14/192206214.db2.gz BDTDYRDENMTVOI-QJPTWQEYSA-N 2 0 240.347 0.999 20 0 BCADRP CCN(C)C(=O)CC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000420319543 192196213 /nfs/dbraw/zinc/19/62/13/192196213.db2.gz XQXGDNGVRAOGPR-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000069730640 491089553 /nfs/dbraw/zinc/08/95/53/491089553.db2.gz BIARQOXOYNUHEH-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP COc1ccc([C@@H](C[NH3+])CN2CC[C@@H]([NH3+])C2)cc1 ZINC000420278276 192198471 /nfs/dbraw/zinc/19/84/71/192198471.db2.gz VLBSMCYOPSJSEI-QWHCGFSZSA-N 2 0 249.358 0.771 20 0 BCADRP CCOC(=O)CCN1CCC[C@@H]1C[NH3+] ZINC000420290945 192200748 /nfs/dbraw/zinc/20/07/48/192200748.db2.gz MQXJGZSNYDTSEH-SECBINFHSA-N 2 0 200.282 0.363 20 0 BCADRP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC000617754381 356313397 /nfs/dbraw/zinc/31/33/97/356313397.db2.gz VZVSBVHXNBALJD-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+][C@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000420286840 192201992 /nfs/dbraw/zinc/20/19/92/192201992.db2.gz FUMKVGHKZUHOHD-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP NC[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420292665 192202648 /nfs/dbraw/zinc/20/26/48/192202648.db2.gz PUQANGORTNXRLO-RYUDHWBXSA-N 2 0 211.353 0.799 20 0 BCADRP CCOC(=O)CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420291929 192203323 /nfs/dbraw/zinc/20/33/23/192203323.db2.gz OPFFSRDJMUQDAM-GHMZBOCLSA-N 2 0 228.336 0.999 20 0 BCADRP COC(=O)CC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420330331 192213886 /nfs/dbraw/zinc/21/38/86/192213886.db2.gz HVOJRLVHAICCQG-UHFFFAOYSA-N 2 0 226.320 0.625 20 0 BCADRP COC(=O)CC1(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000420318418 192215221 /nfs/dbraw/zinc/21/52/21/192215221.db2.gz OALOFQIJEYQSDE-QWRGUYRKSA-N 2 0 240.347 0.999 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)CC1(C[NH3+])CC1 ZINC000422898588 192500890 /nfs/dbraw/zinc/50/08/90/192500890.db2.gz FPHINSYQVCWKAO-SNVBAGLBSA-N 2 0 227.352 0.749 20 0 BCADRP COCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329825 192215244 /nfs/dbraw/zinc/21/52/44/192215244.db2.gz PCAGPWOTFOHMMO-RYUDHWBXSA-N 2 0 212.337 0.954 20 0 BCADRP C[C@H]1CCN(CCOCC[NH3+])[C@H](C[NH3+])C1 ZINC000420344722 192216109 /nfs/dbraw/zinc/21/61/09/192216109.db2.gz UJMONSZXPOQMNJ-QWRGUYRKSA-N 2 0 215.341 0.021 20 0 BCADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C1CC([NH3+])C1 ZINC000420338543 192216808 /nfs/dbraw/zinc/21/68/08/192216808.db2.gz RWMDWIIDTOFZAC-UNXYVOJBSA-N 3 0 211.353 0.798 20 0 BCADRP [NH3+]CCOCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420340595 192216826 /nfs/dbraw/zinc/21/68/26/192216826.db2.gz SYEXZHUKZLOBSW-ZDUSSCGKSA-N 3 0 241.379 0.426 20 0 BCADRP CCOC(=O)[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000420353691 192216926 /nfs/dbraw/zinc/21/69/26/192216926.db2.gz BXBCEOHNKCRNGS-LLVKDONJSA-N 2 0 244.335 0.237 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000336359997 356347421 /nfs/dbraw/zinc/34/74/21/356347421.db2.gz WTQRADYMKDPXDG-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP CN(CCC[NH+]1CCCCC1)C1C[NH2+]C1 ZINC000420307709 192208574 /nfs/dbraw/zinc/20/85/74/192208574.db2.gz CDKXLMPZSIJXCE-UHFFFAOYSA-N 2 0 211.353 0.766 20 0 BCADRP CCOC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000420303973 192209491 /nfs/dbraw/zinc/20/94/91/192209491.db2.gz IDXRSKFLKVBMLJ-HBNTYKKESA-N 2 0 226.320 0.609 20 0 BCADRP CCCCCNC(=O)CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420308625 192211742 /nfs/dbraw/zinc/21/17/42/192211742.db2.gz DAQHXNWZTIYRLR-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP CCCCC[N@H+](CCO)CCN1CC[NH2+]CC1 ZINC000420317145 192212954 /nfs/dbraw/zinc/21/29/54/192212954.db2.gz NJBINWJHWXQZHB-UHFFFAOYSA-N 2 0 243.395 0.376 20 0 BCADRP C[N@H+](CCCN1CCOCC1)C1CC([NH3+])C1 ZINC000420322519 192226739 /nfs/dbraw/zinc/22/67/39/192226739.db2.gz AHBFLQWLMCZXCQ-UHFFFAOYSA-N 2 0 227.352 0.130 20 0 BCADRP C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000420370188 192228000 /nfs/dbraw/zinc/22/80/00/192228000.db2.gz OUIMTSKHLCUOGG-LPWJVIDDSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000420370190 192228114 /nfs/dbraw/zinc/22/81/14/192228114.db2.gz OUIMTSKHLCUOGG-NDBYEHHHSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000420370186 192228349 /nfs/dbraw/zinc/22/83/49/192228349.db2.gz OUIMTSKHLCUOGG-FVCCEPFGSA-N 2 0 225.380 0.962 20 0 BCADRP COC(=O)CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420328448 192229506 /nfs/dbraw/zinc/22/95/06/192229506.db2.gz MNHRDHZHCVZLLC-VXGBXAGGSA-N 2 0 240.347 0.871 20 0 BCADRP CCOC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420325056 192229735 /nfs/dbraw/zinc/22/97/35/192229735.db2.gz HXUVZGAEEHEZBF-NEPJUHHUSA-N 2 0 240.347 0.871 20 0 BCADRP CC(C)OC(=O)CC[N@H+](C)C1CC([NH3+])C1 ZINC000420324716 192229816 /nfs/dbraw/zinc/22/98/16/192229816.db2.gz CKJGKWPIQNYNPM-UHFFFAOYSA-N 2 0 214.309 0.750 20 0 BCADRP COC(=O)CC[N@H+](CC(C)C)C[C@H](C)[NH3+] ZINC000420361900 192222716 /nfs/dbraw/zinc/22/27/16/192222716.db2.gz NSNKBLJOLWPYKY-JTQLQIEISA-N 2 0 216.325 0.855 20 0 BCADRP NC[C@@H]([NH2+]CCOCC[NH3+])C1CCCCC1 ZINC000420364661 192223298 /nfs/dbraw/zinc/22/32/98/192223298.db2.gz KKEHSMYHRYFDPW-GFCCVEGCSA-N 3 0 229.368 0.459 20 0 BCADRP CC[N@H+](CCOCC[NH3+])CCc1nccs1 ZINC000420365805 192223975 /nfs/dbraw/zinc/22/39/75/192223975.db2.gz SQZHWEYMDGHZPW-UHFFFAOYSA-N 2 0 243.376 0.983 20 0 BCADRP CC[NH+](CC)CCCN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420364790 192224500 /nfs/dbraw/zinc/22/45/00/192224500.db2.gz IRRSKMRWLVGGHF-VXGBXAGGSA-N 2 0 213.369 0.997 20 0 BCADRP CC[NH+](CC)CCCN1CCCO[C@@H](C[NH3+])C1 ZINC000420387550 192235019 /nfs/dbraw/zinc/23/50/19/192235019.db2.gz KGFFJSWQNVQLCG-ZDUSSCGKSA-N 2 0 243.395 0.768 20 0 BCADRP C[NH2+]CCC[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420393668 192237018 /nfs/dbraw/zinc/23/70/18/192237018.db2.gz YLZIUTPSGAYIHV-GFCCVEGCSA-N 2 0 213.369 0.917 20 0 BCADRP CC[C@@H](C)[C@H](C)[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC000420400925 192238055 /nfs/dbraw/zinc/23/80/55/192238055.db2.gz IVSKCDQOKDLPSC-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]1CC[N@H+](CCN2CCCC2=O)C[C@@H]1C[NH3+] ZINC000420405879 192239569 /nfs/dbraw/zinc/23/95/69/192239569.db2.gz NBISYCUBACMDNE-RYUDHWBXSA-N 2 0 239.363 0.526 20 0 BCADRP C[N@@H+]1CC[C@@H](NCC[NH3+])[C@H]1c1ccccc1 ZINC000420408701 192239606 /nfs/dbraw/zinc/23/96/06/192239606.db2.gz PSJHXUWBUSXPBR-CHWSQXEVSA-N 2 0 219.332 0.980 20 0 BCADRP C[C@H]1CCN(C(=O)N(CCC[NH3+])CCC[NH3+])C1 ZINC000420449309 192243171 /nfs/dbraw/zinc/24/31/71/192243171.db2.gz GBEJDUVWUOVPRC-NSHDSACASA-N 2 0 242.367 0.448 20 0 BCADRP CC[NH+](CCC[N@@H+](CC)C[C@H](C)O)C[C@H](C)O ZINC000352220536 134108694 /nfs/dbraw/zinc/10/86/94/134108694.db2.gz IFBKPKMKTKTJGZ-STQMWFEESA-N 2 0 246.395 0.782 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000019410903 356483484 /nfs/dbraw/zinc/48/34/84/356483484.db2.gz KGDOZCRMSMHDNF-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]C ZINC000429492916 192288299 /nfs/dbraw/zinc/28/82/99/192288299.db2.gz PWZKAZQEIWAKEA-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP COC[C@@H](CCO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000223978680 491095299 /nfs/dbraw/zinc/09/52/99/491095299.db2.gz PPPALGJAXZJUFW-WCQYABFASA-N 2 0 244.379 0.704 20 0 BCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000639634367 356549019 /nfs/dbraw/zinc/54/90/19/356549019.db2.gz IKBZNOOYLWNSSV-NEPJUHHUSA-N 2 0 241.379 0.926 20 0 BCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000639634370 356550047 /nfs/dbraw/zinc/55/00/47/356550047.db2.gz IKBZNOOYLWNSSV-VXGBXAGGSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CC[C@H]1[NH3+] ZINC000578132908 366295450 /nfs/dbraw/zinc/29/54/50/366295450.db2.gz FSASBSPULWJEGN-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH3+])C[NH2+]1 ZINC000627206438 363504404 /nfs/dbraw/zinc/50/44/04/363504404.db2.gz JDJDQQRPAKBTOS-OUAUKWLOSA-N 2 0 240.351 0.260 20 0 BCADRP Cn1cnc(C[NH2+]CCCC[NH+](C)C)c1 ZINC000379894824 538461643 /nfs/dbraw/zinc/46/16/43/538461643.db2.gz BPEUTLGMOUHOPG-UHFFFAOYSA-N 2 0 210.325 0.852 20 0 BCADRP [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000632868648 356640936 /nfs/dbraw/zinc/64/09/36/356640936.db2.gz UAVZLVVSVOAYDL-CMPLNLGQSA-N 2 0 245.326 0.513 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756289 356660666 /nfs/dbraw/zinc/66/06/66/356660666.db2.gz UUUMBDJAMVJGJF-GFCCVEGCSA-N 2 0 242.363 0.411 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756290 356660781 /nfs/dbraw/zinc/66/07/81/356660781.db2.gz UUUMBDJAMVJGJF-LBPRGKRZSA-N 2 0 242.363 0.411 20 0 BCADRP C([C@@H]1CCCCO1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287485 356654699 /nfs/dbraw/zinc/65/46/99/356654699.db2.gz KMTXAAMTLRHZFX-TUAOUCFPSA-N 2 0 210.321 0.707 20 0 BCADRP CC[C@@H](C(N)=O)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757569 356663975 /nfs/dbraw/zinc/66/39/75/356663975.db2.gz HYAPWXNNPUAVNO-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP C[NH+]1CCC2(CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC000639757697 356664014 /nfs/dbraw/zinc/66/40/14/356664014.db2.gz OONBLVLJOVJVGH-NSHDSACASA-N 2 0 237.347 0.293 20 0 BCADRP c1cc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000088288161 356655356 /nfs/dbraw/zinc/65/53/56/356655356.db2.gz PFXKOJNHLALYAV-STQMWFEESA-N 2 0 217.316 0.775 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000662406948 491100152 /nfs/dbraw/zinc/10/01/52/491100152.db2.gz NTOJSKBBQLEWJT-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)CNC(=O)[C@@H](C)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107576274 356673387 /nfs/dbraw/zinc/67/33/87/356673387.db2.gz FOJZHXUJRFCZIO-UTUOFQBUSA-N 2 0 239.363 0.298 20 0 BCADRP C[NH+](C)C[C@]1(O)CCCN(Cc2ccccn2)C1 ZINC000639760775 356675813 /nfs/dbraw/zinc/67/58/13/356675813.db2.gz CZXICURCBQHZRW-CQSZACIVSA-N 2 0 249.358 0.970 20 0 BCADRP C[C@H](O)CCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761861 356679219 /nfs/dbraw/zinc/67/92/19/356679219.db2.gz FMTAQFZVIKYROW-QWHCGFSZSA-N 2 0 244.379 0.536 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000167776360 134154349 /nfs/dbraw/zinc/15/43/49/134154349.db2.gz BCEKZYUZCSYOOZ-NWDGAFQWSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000632880711 356665570 /nfs/dbraw/zinc/66/55/70/356665570.db2.gz ZAKMZEVQADUWKE-NXEZZACHSA-N 2 0 233.315 0.498 20 0 BCADRP COCC[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764270 356690073 /nfs/dbraw/zinc/69/00/73/356690073.db2.gz ZOKADQJMOUEWEJ-OLZOCXBDSA-N 2 0 244.379 0.800 20 0 BCADRP C[NH+](C)C[C@@]1(O)CCCN(C[C@@H]2CCCO2)C1 ZINC000639764629 356691257 /nfs/dbraw/zinc/69/12/57/356691257.db2.gz HQCQLBDDVCBJEV-STQMWFEESA-N 2 0 242.363 0.554 20 0 BCADRP CNC(=O)CC[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000179981275 366345712 /nfs/dbraw/zinc/34/57/12/366345712.db2.gz AUFUILOMOGWXBW-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP COC(=O)C1(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000450399702 202154648 /nfs/dbraw/zinc/15/46/48/202154648.db2.gz DNPAXAOWQWTHDT-NSHDSACASA-N 2 0 240.347 0.823 20 0 BCADRP C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335626 356721496 /nfs/dbraw/zinc/72/14/96/356721496.db2.gz WCSXWLPRYVEPJA-VHSXEESVSA-N 2 0 200.326 0.830 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H](C)O ZINC000578186551 366371040 /nfs/dbraw/zinc/37/10/40/366371040.db2.gz YASLWDIDZOUMPR-WDEREUQCSA-N 2 0 218.341 0.314 20 0 BCADRP CC1(C)CN(C(=O)[C@@]2(F)CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000367187865 356745845 /nfs/dbraw/zinc/74/58/45/356745845.db2.gz SQZDSLYXRINYMA-BXKDBHETSA-N 2 0 243.326 0.274 20 0 BCADRP CC1(C)CN(C(=O)[C@]2(F)CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000367187868 356746160 /nfs/dbraw/zinc/74/61/60/356746160.db2.gz SQZDSLYXRINYMA-SKDRFNHKSA-N 2 0 243.326 0.274 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(CCOCC[NH3+])C[C@H]1C ZINC000578193713 366379946 /nfs/dbraw/zinc/37/99/46/366379946.db2.gz KRWWQJQZISOVAA-NEPJUHHUSA-N 2 0 229.368 0.376 20 0 BCADRP CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)C1CC1 ZINC000130437216 325051928 /nfs/dbraw/zinc/05/19/28/325051928.db2.gz XBWBOKJLOHRMNC-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C(N)=O)CC1(C)C ZINC000623361154 356807261 /nfs/dbraw/zinc/80/72/61/356807261.db2.gz PHRIIEUQVVBSQY-JTQLQIEISA-N 2 0 241.379 0.960 20 0 BCADRP CNC(=O)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623378115 356900198 /nfs/dbraw/zinc/90/01/98/356900198.db2.gz TUZWWZITQNURJP-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H](N[C@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423196665 192622471 /nfs/dbraw/zinc/62/24/71/192622471.db2.gz VVMIDILZHOLHJZ-SRVKXCTJSA-N 2 0 211.353 0.859 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C(C)(C)[NH3+] ZINC000389857981 357055661 /nfs/dbraw/zinc/05/56/61/357055661.db2.gz BVFBADOZULVQCL-UHFFFAOYSA-N 2 0 201.314 0.228 20 0 BCADRP CCC[N@H+](CCO)C[C@H](O)CN(C)CC ZINC000389675042 357013458 /nfs/dbraw/zinc/01/34/58/357013458.db2.gz CEBACHRNUHVZPC-LLVKDONJSA-N 2 0 218.341 0.003 20 0 BCADRP CCN(C)C[C@@H](O)C[N@H+](C)CCCOC ZINC000389707643 357017687 /nfs/dbraw/zinc/01/76/87/357017687.db2.gz LGXRFQCOZFEIKD-LLVKDONJSA-N 2 0 218.341 0.267 20 0 BCADRP C[C@@H](NC[C@H]1CCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000423241694 192647740 /nfs/dbraw/zinc/64/77/40/192647740.db2.gz VFTRVJCMGOJYQE-IJLUTSLNSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@H](NC[C@@H]1CCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000423241696 192647995 /nfs/dbraw/zinc/64/79/95/192647995.db2.gz VFTRVJCMGOJYQE-SDDRHHMPSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000389989142 357078557 /nfs/dbraw/zinc/07/85/57/357078557.db2.gz NKEDBFIUPWQWTJ-MRVPVSSYSA-N 2 0 201.314 0.025 20 0 BCADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000423256152 192655101 /nfs/dbraw/zinc/65/51/01/192655101.db2.gz BISHUBWNVGECCL-GHMZBOCLSA-N 2 0 239.367 0.847 20 0 BCADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1CC[NH2+]1 ZINC000582415162 357140543 /nfs/dbraw/zinc/14/05/43/357140543.db2.gz CYSGAVPTUQULJH-LLVKDONJSA-N 2 0 247.298 0.469 20 0 BCADRP [NH3+]CCCCC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000582419819 357142947 /nfs/dbraw/zinc/14/29/47/357142947.db2.gz JCEUINROOYMGPY-QMMMGPOBSA-N 2 0 235.278 0.229 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)C1CC[NH2+]CC1 ZINC000582419178 357143255 /nfs/dbraw/zinc/14/32/55/357143255.db2.gz OMDMTRXMRPHIDS-VHSXEESVSA-N 2 0 242.367 0.506 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC(F)F ZINC000582421252 357144160 /nfs/dbraw/zinc/14/41/60/357144160.db2.gz LQWFHNXDXKGARC-YUMQZZPRSA-N 2 0 237.294 0.459 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000582425714 357145564 /nfs/dbraw/zinc/14/55/64/357145564.db2.gz KMUJICHECVJQGG-RYUDHWBXSA-N 2 0 230.352 0.315 20 0 BCADRP CCCN(C(=O)[C@H](C)[NH2+]C)[C@@H]1CC[NH2+]C1 ZINC000582430903 357147541 /nfs/dbraw/zinc/14/75/41/357147541.db2.gz LDCQTWXXVZKNTI-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000582432053 357149176 /nfs/dbraw/zinc/14/91/76/357149176.db2.gz BKMUCTYAZAZDOT-VWYCJHECSA-N 2 0 240.351 0.165 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H](C)C[C@@H](C)[NH3+])[NH+](C)C ZINC000583696428 357230932 /nfs/dbraw/zinc/23/09/32/357230932.db2.gz UUAYCROXSKJJNW-OUAUKWLOSA-N 2 0 229.368 0.815 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC[N@H+]1CC=CCC1 ZINC000392812817 357235535 /nfs/dbraw/zinc/23/55/35/357235535.db2.gz JDWWRLSLQSVMNU-UHFFFAOYSA-N 2 0 239.363 0.753 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@@]2(O)CCSC2)CC1 ZINC000122404405 357176942 /nfs/dbraw/zinc/17/69/42/357176942.db2.gz YGLBSVXPUURUFG-LBPRGKRZSA-N 2 0 244.404 0.928 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC1=CC[NH2+]CC1 ZINC000393773013 357298673 /nfs/dbraw/zinc/29/86/73/357298673.db2.gz KMYARMCDAWNWCQ-RKDXNWHRSA-N 2 0 211.309 0.006 20 0 BCADRP O=C(C[NH2+]CC1CC[NH2+]CC1)NCC1CC1 ZINC000392998535 357267286 /nfs/dbraw/zinc/26/72/86/357267286.db2.gz UXKJDKUJGBWOSA-UHFFFAOYSA-N 2 0 225.336 0.102 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)NCCC[NH2+]C1CC1 ZINC000582667371 357358934 /nfs/dbraw/zinc/35/89/34/357358934.db2.gz MQBKMSDKKHAMNU-MRVPVSSYSA-N 2 0 235.278 0.227 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)C1C[NH2+]C1 ZINC000582785135 357392463 /nfs/dbraw/zinc/39/24/63/357392463.db2.gz WEHYRDQLPNYRKZ-GIPNMCIBSA-N 2 0 239.363 0.285 20 0 BCADRP C[C@H]([NH3+])CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000582786961 357394411 /nfs/dbraw/zinc/39/44/11/357394411.db2.gz RDKLWANZZSFXCD-UHTWSYAYSA-N 2 0 241.379 0.552 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](C)[NH2+]C ZINC000582856340 357421845 /nfs/dbraw/zinc/42/18/45/357421845.db2.gz NWXSNRFIODNJSM-QWRGUYRKSA-N 2 0 245.367 0.067 20 0 BCADRP CN(C(=O)CC[C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000582904077 357427246 /nfs/dbraw/zinc/42/72/46/357427246.db2.gz YEAJRIOUJKBYMU-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H](CC(=O)N(C)CC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000582964061 357440083 /nfs/dbraw/zinc/44/00/83/357440083.db2.gz SYIAUBJCHWNCOS-GHMZBOCLSA-N 2 0 227.352 0.429 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000582965577 357446278 /nfs/dbraw/zinc/44/62/78/357446278.db2.gz SRLHJDFSPAJKBR-GXFFZTMASA-N 2 0 247.342 0.760 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000583024253 357452500 /nfs/dbraw/zinc/45/25/00/357452500.db2.gz ROBLEYROIKGUNM-MWLCHTKSSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000583082686 357474347 /nfs/dbraw/zinc/47/43/47/357474347.db2.gz PFJPGUGYRSINFQ-CMPLNLGQSA-N 2 0 239.363 0.490 20 0 BCADRP COCC[NH2+]C1CCN(C[C@@H](C)[NH3+])CC1 ZINC000583146721 357494666 /nfs/dbraw/zinc/49/46/66/357494666.db2.gz CPBZOXMYCJUFMQ-SNVBAGLBSA-N 2 0 215.341 0.034 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)CCC[NH2+]C ZINC000230711024 357572530 /nfs/dbraw/zinc/57/25/30/357572530.db2.gz FESUNCIYSKYZAG-UHFFFAOYSA-N 2 0 229.368 0.786 20 0 BCADRP CC[NH+]1CCC([NH2+]CC(C)(C)C(=O)NC)CC1 ZINC000230404235 357539534 /nfs/dbraw/zinc/53/95/34/357539534.db2.gz GESYKJMYUBPRNS-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CC1CC[NH+](CCCC(=O)OC)CC1 ZINC000063165782 357550831 /nfs/dbraw/zinc/55/08/31/357550831.db2.gz QUQRPSKWVWEIIR-UHFFFAOYSA-N 2 0 228.336 0.871 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188705808 357565912 /nfs/dbraw/zinc/56/59/12/357565912.db2.gz SRARWELIYOMNRE-JTQLQIEISA-N 2 0 247.342 0.762 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188727990 357565934 /nfs/dbraw/zinc/56/59/34/357565934.db2.gz ZKOCBNMMTUKKDH-GARJFASQSA-N 2 0 243.326 0.144 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188746247 357566784 /nfs/dbraw/zinc/56/67/84/357566784.db2.gz ORMMMAANMZRZPD-WDEREUQCSA-N 2 0 243.326 0.144 20 0 BCADRP CCC[C@@H](C(=O)N1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000189004813 357600684 /nfs/dbraw/zinc/60/06/84/357600684.db2.gz WKGTXAWPENGWID-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[NH+](C)C ZINC000040469077 357609525 /nfs/dbraw/zinc/60/95/25/357609525.db2.gz METUBBRXATXZKJ-RKDXNWHRSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000160677142 538885950 /nfs/dbraw/zinc/88/59/50/538885950.db2.gz BWJWMSPBPWGMFW-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000233426475 357723223 /nfs/dbraw/zinc/72/32/23/357723223.db2.gz HUIPHKONPGQQJK-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000233427459 357723360 /nfs/dbraw/zinc/72/33/60/357723360.db2.gz HUIPHKONPGQQJK-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+]CCCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000190743279 357730103 /nfs/dbraw/zinc/73/01/03/357730103.db2.gz COPUMEZUQVUYOE-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH3+])[C@H](C)[NH3+] ZINC000583262655 357750977 /nfs/dbraw/zinc/75/09/77/357750977.db2.gz NGNUXYKOWTUHHT-VGMNWLOBSA-N 2 0 201.314 0.069 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000192105906 357823481 /nfs/dbraw/zinc/82/34/81/357823481.db2.gz WANAKIFZQQNHHY-QWRGUYRKSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH+](C)CCOCCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000234265772 357788296 /nfs/dbraw/zinc/78/82/96/357788296.db2.gz UEOZQFUKFKGSHR-SNVBAGLBSA-N 2 0 245.367 0.054 20 0 BCADRP Cc1c[nH+]ccc1N1CC[NH+](C[C@H](C)O)CC1 ZINC000192802534 357854695 /nfs/dbraw/zinc/85/46/95/357854695.db2.gz AVRCLZGTOXRKHU-LBPRGKRZSA-N 2 0 235.331 0.893 20 0 BCADRP Cc1nn(C)cc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168516139 134225509 /nfs/dbraw/zinc/22/55/09/134225509.db2.gz PQUZVNXHGPPKLN-MWLCHTKSSA-N 2 0 222.336 0.898 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000192471707 357835913 /nfs/dbraw/zinc/83/59/13/357835913.db2.gz DJJWMVKAPKKQIM-CHWSQXEVSA-N 2 0 244.379 0.969 20 0 BCADRP Cn1cncc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000085170873 134224700 /nfs/dbraw/zinc/22/47/00/134224700.db2.gz ZFKXWZREBMTGPR-LLVKDONJSA-N 2 0 222.336 0.981 20 0 BCADRP C[C@H]1C[C@H](C(=O)NCC(C)(C)[NH+](C)C)CC[NH2+]1 ZINC000235586720 357881095 /nfs/dbraw/zinc/88/10/95/357881095.db2.gz CZIDVCYBXRENAL-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@](C)(CO)C(C)C ZINC000398526117 357887378 /nfs/dbraw/zinc/88/73/78/357887378.db2.gz VPTSGEPKCSYDEL-NEPJUHHUSA-N 2 0 232.368 0.296 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CO)C(C)C ZINC000398526129 357887509 /nfs/dbraw/zinc/88/75/09/357887509.db2.gz VPTSGEPKCSYDEL-RYUDHWBXSA-N 2 0 232.368 0.296 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000399017852 357893784 /nfs/dbraw/zinc/89/37/84/357893784.db2.gz GHFBDNBEEPRHCR-LBPRGKRZSA-N 2 0 241.379 0.914 20 0 BCADRP CC(C)[C@@H](C(=O)NCCC[NH3+])[C@@H](C)[NH3+] ZINC000399422139 357906626 /nfs/dbraw/zinc/90/66/26/357906626.db2.gz FTFCAZDCYSDYRS-RKDXNWHRSA-N 2 0 201.314 0.071 20 0 BCADRP CC[NH2+]CCNC(=O)c1ccccc1CC[NH3+] ZINC000584417915 357915907 /nfs/dbraw/zinc/91/59/07/357915907.db2.gz OLWUEPQIDZSXGF-UHFFFAOYSA-N 2 0 235.331 0.527 20 0 BCADRP [NH3+][C@@H](CC(=O)NC1CC[NH2+]CC1)c1ccccc1 ZINC000584468545 357987116 /nfs/dbraw/zinc/98/71/16/357987116.db2.gz XAYCVELCCQXTSJ-ZDUSSCGKSA-N 2 0 247.342 0.945 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)CC[NH2+]C1CC1 ZINC000220124589 358018949 /nfs/dbraw/zinc/01/89/49/358018949.db2.gz BHLNYYIYLIYNEH-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)NCC(C)(C)[NH3+] ZINC000584519621 358029819 /nfs/dbraw/zinc/02/98/19/358029819.db2.gz KASOVRXDYUUKBW-UHFFFAOYSA-N 2 0 230.356 0.317 20 0 BCADRP C[NH2+]CCC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000584530018 358042012 /nfs/dbraw/zinc/04/20/12/358042012.db2.gz IYOBHGWUMAVXBM-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000584537397 358048404 /nfs/dbraw/zinc/04/84/04/358048404.db2.gz CXPGLCHGYVRDFQ-MNOVXSKESA-N 2 0 227.352 0.665 20 0 BCADRP O=C(C[NH2+]C1CC1)NCCC[C@@H]1CCC[NH2+]1 ZINC000583866489 358055260 /nfs/dbraw/zinc/05/52/60/358055260.db2.gz NFCNBRRJJQDPPT-JTQLQIEISA-N 2 0 225.336 0.387 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220861527 358055465 /nfs/dbraw/zinc/05/54/65/358055465.db2.gz JWRVXONYFBGRIC-GRYCIOLGSA-N 2 0 239.363 0.524 20 0 BCADRP CCCNC(=O)[C@H](C)N1CCC[C@@H](C[NH3+])C1 ZINC000217555225 134248508 /nfs/dbraw/zinc/24/85/08/134248508.db2.gz BSWXODMJASWRNM-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CN(C(=O)C[NH2+]C1CC1)C1CC[NH+](C)CC1 ZINC000037476892 358071040 /nfs/dbraw/zinc/07/10/40/358071040.db2.gz AHCVUQDXHSJCLB-UHFFFAOYSA-N 2 0 225.336 0.291 20 0 BCADRP CC[NH+](CC)CCNC(=O)CC[NH2+]C1CC1 ZINC000037478072 358071352 /nfs/dbraw/zinc/07/13/52/358071352.db2.gz GPSNMXOPDFBKJJ-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000037484152 358073133 /nfs/dbraw/zinc/07/31/33/358073133.db2.gz OEAOTKUABHNFFP-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)CCC[NH3+])CC1 ZINC000037041710 358063766 /nfs/dbraw/zinc/06/37/66/358063766.db2.gz HTCWPUGAMPUGIT-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@H](C)NC(=O)[C@H](C)N1CCC[C@@H](C[NH3+])C1 ZINC000217555993 134248144 /nfs/dbraw/zinc/24/81/44/134248144.db2.gz BGOUGRJEWZWRTF-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000583871178 358068306 /nfs/dbraw/zinc/06/83/06/358068306.db2.gz QBZJOVQJNNAWJN-NXEZZACHSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000584589492 358102867 /nfs/dbraw/zinc/10/28/67/358102867.db2.gz UKRLCJUZGORLMH-LLVKDONJSA-N 2 0 227.352 0.428 20 0 BCADRP CC[NH+]1CCC(NC(=O)CC[NH2+]C2CC2)CC1 ZINC000038098308 358107497 /nfs/dbraw/zinc/10/74/97/358107497.db2.gz QDNPFHNBAXIJIX-UHFFFAOYSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000390378350 491122116 /nfs/dbraw/zinc/12/21/16/491122116.db2.gz YMSDWIRBGHQKRL-BDAKNGLRSA-N 2 0 213.325 0.500 20 0 BCADRP C[C@@H]1CN(C(=O)CC2([NH3+])CCC2)C[C@@]1(C)C[NH3+] ZINC000669521353 491123072 /nfs/dbraw/zinc/12/30/72/491123072.db2.gz SIJLUQYXBIWKHA-ZYHUDNBSSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000584720754 358162194 /nfs/dbraw/zinc/16/21/94/358162194.db2.gz RHJSGVXMQBDTKU-MVWJERBFSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@H]1CC[N@H+](CC(=O)N2CC([NH+](C)C)C2)C1 ZINC000584789610 358178811 /nfs/dbraw/zinc/17/88/11/358178811.db2.gz ZNCXVEZKEUZIQU-JTQLQIEISA-N 2 0 225.336 0.101 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000086068374 358208501 /nfs/dbraw/zinc/20/85/01/358208501.db2.gz UVGQOIGIFNNDDD-QWRGUYRKSA-N 2 0 227.352 0.300 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCOC)C1 ZINC000040601615 358243158 /nfs/dbraw/zinc/24/31/58/358243158.db2.gz QSLHTWOJBKYTIH-NSHDSACASA-N 2 0 200.326 0.954 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCCCC[NH3+] ZINC000040832449 358246658 /nfs/dbraw/zinc/24/66/58/358246658.db2.gz CVJMIOVYKATKPJ-VIFPVBQESA-N 2 0 201.314 0.215 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[NH2+]1 ZINC000041680234 358333839 /nfs/dbraw/zinc/33/38/39/358333839.db2.gz COOCPRNXTVBMSO-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP [NH3+]CC1(CCNC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000653216234 491128306 /nfs/dbraw/zinc/12/83/06/491128306.db2.gz UIVLCJBAIBSEME-JTQLQIEISA-N 2 0 225.336 0.374 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)CC[C@H](C)[NH3+])C1 ZINC000226510825 358341186 /nfs/dbraw/zinc/34/11/86/358341186.db2.gz REWUSLOFFSBSFZ-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(=O)N1CCCC1 ZINC000228089429 358368260 /nfs/dbraw/zinc/36/82/60/358368260.db2.gz GPMOZDLJBCHXBS-TUAOUCFPSA-N 2 0 239.363 0.857 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)N(C)CC[NH2+]C ZINC000228504662 358377716 /nfs/dbraw/zinc/37/77/16/358377716.db2.gz DSHPBGDMFPSVGE-UHFFFAOYSA-N 2 0 249.358 0.740 20 0 BCADRP CC[N@H+](CC(=O)N1CC([NH+](C)C)C1)C1CC1 ZINC000134923330 325382985 /nfs/dbraw/zinc/38/29/85/325382985.db2.gz XBMOLWOOIQXDHZ-UHFFFAOYSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH+]1CCC(CNC(=O)C[NH2+]C2CC2)CC1 ZINC000044526678 358389438 /nfs/dbraw/zinc/38/94/38/358389438.db2.gz CQTDVPDFCLAEEB-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP CC[NH+]1CCC(CNC(=O)[C@H](C)[NH3+])CC1 ZINC000044526700 358389861 /nfs/dbraw/zinc/38/98/61/358389861.db2.gz CJARJAWVLBUYDR-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH+]1CCC(CNC(=O)C(C)(C)[NH3+])CC1 ZINC000044526750 358389905 /nfs/dbraw/zinc/38/99/05/358389905.db2.gz PTFBMMRONCKWRV-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000044538757 358390091 /nfs/dbraw/zinc/39/00/91/358390091.db2.gz BHEGQTSVIRLPLG-NSHDSACASA-N 2 0 239.363 0.444 20 0 BCADRP CC[NH+]1CCC(CNC(=O)CCC[NH3+])CC1 ZINC000044526756 358390126 /nfs/dbraw/zinc/39/01/26/358390126.db2.gz XFDRFEOLPUAFQT-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000044539014 358391062 /nfs/dbraw/zinc/39/10/62/358391062.db2.gz VSGTXUYRTWDVAS-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP O=C(C[NH2+]C1CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726830 358392556 /nfs/dbraw/zinc/39/25/56/358392556.db2.gz HIAKJRCWKUSBOS-JTQLQIEISA-N 2 0 223.320 0.091 20 0 BCADRP CC[NH+]1CCC(CNC(=O)C(C)(C)C[NH3+])CC1 ZINC000044752353 358393008 /nfs/dbraw/zinc/39/30/08/358393008.db2.gz VSKMPPVDTFTVIW-UHFFFAOYSA-N 2 0 241.379 0.819 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC000229357895 358402492 /nfs/dbraw/zinc/40/24/92/358402492.db2.gz CZAAUHZRNBKFRF-MNOVXSKESA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000418418867 358432051 /nfs/dbraw/zinc/43/20/51/358432051.db2.gz YFQCEFLLMMQRIW-WDEREUQCSA-N 2 0 244.383 0.786 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726821 358552869 /nfs/dbraw/zinc/55/28/69/358552869.db2.gz VIUWAHVYCOLJPD-KOLCDFICSA-N 2 0 225.336 0.467 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000131622439 358687126 /nfs/dbraw/zinc/68/71/26/358687126.db2.gz LFDPOTKMHGZWAT-CYBMUJFWSA-N 2 0 247.342 0.427 20 0 BCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@H]([NH3+])C1 ZINC000131759581 358692733 /nfs/dbraw/zinc/69/27/33/358692733.db2.gz MDDLJZNTUSYXTG-RYUDHWBXSA-N 2 0 233.315 0.116 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)CC1CC[NH2+]CC1 ZINC000049559707 358695430 /nfs/dbraw/zinc/69/54/30/358695430.db2.gz PJCDZVZSDGHWTI-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000131935667 358701724 /nfs/dbraw/zinc/70/17/24/358701724.db2.gz RTVNXHIZUOKOIN-NWGYLPEXSA-N 2 0 229.299 0.074 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC(=O)N(C)C ZINC000133073055 358744240 /nfs/dbraw/zinc/74/42/40/358744240.db2.gz ZKQYYUMJLGCYKI-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000133364722 358751792 /nfs/dbraw/zinc/75/17/92/358751792.db2.gz LBVONRVFQBEQOF-PWSUYJOCSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000130183972 358738064 /nfs/dbraw/zinc/73/80/64/358738064.db2.gz FCHMZIVPZNAJNF-ZJUUUORDSA-N 2 0 243.376 0.031 20 0 BCADRP [NH3+]CCCC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132910653 358739691 /nfs/dbraw/zinc/73/96/91/358739691.db2.gz VVJQTHGYTYXNMY-WDEREUQCSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000133996250 358775173 /nfs/dbraw/zinc/77/51/73/358775173.db2.gz SBQJEUOTRAGFJL-SRVKXCTJSA-N 2 0 228.336 0.210 20 0 BCADRP CC(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000058938553 358916228 /nfs/dbraw/zinc/91/62/28/358916228.db2.gz NCMHNMCXQOJJQN-UHFFFAOYSA-N 2 0 227.352 0.491 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000136805379 358888445 /nfs/dbraw/zinc/88/84/45/358888445.db2.gz BAODCBCRPYWKPR-SNVBAGLBSA-N 2 0 225.336 0.102 20 0 BCADRP C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)OC1CCC1 ZINC000308804403 491138215 /nfs/dbraw/zinc/13/82/15/491138215.db2.gz AMABACLPSOUKPO-GHMZBOCLSA-N 2 0 210.321 0.707 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC(C)(C)[NH3+] ZINC000578321214 366509972 /nfs/dbraw/zinc/50/99/72/366509972.db2.gz ZIBGLLQZVMHXHZ-JGVFFNPUSA-N 2 0 216.329 0.149 20 0 BCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000516979940 358964886 /nfs/dbraw/zinc/96/48/86/358964886.db2.gz SPJMLRQVTLYJJT-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCn2ccnc2)C1 ZINC000086403538 358967737 /nfs/dbraw/zinc/96/77/37/358967737.db2.gz KNBMMQXWCDCQTK-GHMZBOCLSA-N 2 0 208.309 0.743 20 0 BCADRP Cn1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000086403541 358967874 /nfs/dbraw/zinc/96/78/74/358967874.db2.gz GRGJWXODCCJOFC-WDEREUQCSA-N 2 0 208.309 0.780 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000059930885 358921416 /nfs/dbraw/zinc/92/14/16/358921416.db2.gz RKMVJNPNUJUNJM-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NCC[N@H+](C)CCOC ZINC000061380732 358932970 /nfs/dbraw/zinc/93/29/70/358932970.db2.gz SQLUEBVYZUPNIM-NSHDSACASA-N 2 0 245.367 0.198 20 0 BCADRP [NH3+]CCOCCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000086435743 358977133 /nfs/dbraw/zinc/97/71/33/358977133.db2.gz CEGKMKRMHCBHQH-LBPRGKRZSA-N 2 0 227.352 0.132 20 0 BCADRP C1=C(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)COCC1 ZINC000308844252 491138761 /nfs/dbraw/zinc/13/87/61/491138761.db2.gz ONKWNUCAGPGLCX-VXGBXAGGSA-N 2 0 208.305 0.484 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C1(C)C[NH2+]C1)C1CC1 ZINC000423347992 192725306 /nfs/dbraw/zinc/72/53/06/192725306.db2.gz RPVVEHVSKFUQGJ-JTQLQIEISA-N 2 0 225.336 0.052 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)C1(C)C[NH2+]C1 ZINC000423396750 192740159 /nfs/dbraw/zinc/74/01/59/192740159.db2.gz SMDRGMXPLWLSEI-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP C[NH+](C)C1(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000613796539 363641460 /nfs/dbraw/zinc/64/14/60/363641460.db2.gz QQQOXGWSLPNTBL-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000252611331 359314799 /nfs/dbraw/zinc/31/47/99/359314799.db2.gz VLEHGQDIBFRTEJ-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP COC[C@]1(CN[C@H]2C[NH2+]CC[C@@H]2C)CCC[NH2+]1 ZINC000423417248 192750239 /nfs/dbraw/zinc/75/02/39/192750239.db2.gz SCUZMVAQIQLDBY-RWMBFGLXSA-N 2 0 241.379 0.343 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H](CCC)[NH+](C)C ZINC000423473443 192785476 /nfs/dbraw/zinc/78/54/76/192785476.db2.gz YHRDTFUAIICSPL-NSHDSACASA-N 2 0 229.368 0.833 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccnc(C[NH3+])c1 ZINC000574987708 359522498 /nfs/dbraw/zinc/52/24/98/359522498.db2.gz MGNHLVDNLCMZOV-JOYOIKCWSA-N 2 0 248.330 0.268 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[C@@H](C)[NH3+] ZINC000423497619 192794698 /nfs/dbraw/zinc/79/46/98/192794698.db2.gz AHPNEEGNOSTMHT-USZNOCQGSA-N 2 0 241.379 0.802 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)[C@H](C)[NH3+] ZINC000423497618 192794892 /nfs/dbraw/zinc/79/48/92/192794892.db2.gz AHPNEEGNOSTMHT-RHYQMDGZSA-N 2 0 241.379 0.802 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000580429855 359546940 /nfs/dbraw/zinc/54/69/40/359546940.db2.gz FMIZGZADFBWDFZ-UTUOFQBUSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC000580442494 359551216 /nfs/dbraw/zinc/55/12/16/359551216.db2.gz CVOTVTWXXWHEGZ-GHMZBOCLSA-N 2 0 244.383 0.705 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NCCC[NH2+]C1CC1 ZINC000423572705 192814307 /nfs/dbraw/zinc/81/43/07/192814307.db2.gz YOTFTBCJPDEFES-ZYHUDNBSSA-N 2 0 211.353 0.716 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H](C)[NH3+] ZINC000423581280 192816318 /nfs/dbraw/zinc/81/63/18/192816318.db2.gz BVEPDLDKKSXMDC-GMTAPVOTSA-N 2 0 227.352 0.474 20 0 BCADRP C[NH2+]CC(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000423760053 192830339 /nfs/dbraw/zinc/83/03/39/192830339.db2.gz MVXSDSNOBMNMHU-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)NCCNc1ccccn1 ZINC000578353561 366534961 /nfs/dbraw/zinc/53/49/61/366534961.db2.gz LDVAJOIRRJUGKU-LLVKDONJSA-N 2 0 248.330 0.752 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)C[NH+]1CCC(C)CC1 ZINC000423696907 192824639 /nfs/dbraw/zinc/82/46/39/192824639.db2.gz YFRDVZAGROFOGJ-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000424044350 192856102 /nfs/dbraw/zinc/85/61/02/192856102.db2.gz JOGFRVJXMSFFLS-GVXVVHGQSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000578441316 366568043 /nfs/dbraw/zinc/56/80/43/366568043.db2.gz NEXFBSZTCNGFPB-GARJFASQSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000578441315 366568135 /nfs/dbraw/zinc/56/81/35/366568135.db2.gz NEXFBSZTCNGFPB-DCAQKATOSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000578444062 366569383 /nfs/dbraw/zinc/56/93/83/366569383.db2.gz KEBSYUXPBKEIFC-OUAUKWLOSA-N 2 0 225.336 0.243 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000578504715 366581852 /nfs/dbraw/zinc/58/18/52/366581852.db2.gz LJRWQVVUWCHROU-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000578504867 366581913 /nfs/dbraw/zinc/58/19/13/366581913.db2.gz WMTDWAWVOGWJDC-GARJFASQSA-N 2 0 227.352 0.380 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000578524619 366590239 /nfs/dbraw/zinc/59/02/39/366590239.db2.gz LWEIALYXRIFJDQ-MNOVXSKESA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)(C[NH3+])C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000578639424 366615441 /nfs/dbraw/zinc/61/54/41/366615441.db2.gz OUTYCLNHHJMPMV-NXEZZACHSA-N 2 0 227.352 0.605 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N(C)CCC[NH3+] ZINC000578551847 366598204 /nfs/dbraw/zinc/59/82/04/366598204.db2.gz KMJYWDXOFWXJHU-SNVBAGLBSA-N 2 0 230.356 0.317 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCC[N@H+](C)C1 ZINC000578617012 366609053 /nfs/dbraw/zinc/60/90/53/366609053.db2.gz HYOOUIUCQDUYOS-UPJWGTAASA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H](NC(=O)[C@H]1CCCCC[NH2+]1)[C@H](C)[NH3+] ZINC000578729958 366632506 /nfs/dbraw/zinc/63/25/06/366632506.db2.gz FEMHLKYWSZWLAJ-IVZWLZJFSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CCCCC[NH2+]1)[C@H](C)[NH3+] ZINC000578729956 366632670 /nfs/dbraw/zinc/63/26/70/366632670.db2.gz FEMHLKYWSZWLAJ-AEJSXWLSSA-N 2 0 213.325 0.371 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000088131015 359938889 /nfs/dbraw/zinc/93/88/89/359938889.db2.gz NELRYFMFYDYWFP-LLVKDONJSA-N 2 0 237.347 0.565 20 0 BCADRP C[NH2+]CCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000578746805 366637031 /nfs/dbraw/zinc/63/70/31/366637031.db2.gz WDDNXBBVTQJWRB-UHFFFAOYSA-N 2 0 233.315 0.880 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000578749971 366637545 /nfs/dbraw/zinc/63/75/45/366637545.db2.gz UUHSYAIZGIPWTP-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@@H](NC(=O)c1conc1C(C)(C)[NH3+])[C@H](C)[NH3+] ZINC000578906483 366672942 /nfs/dbraw/zinc/67/29/42/366672942.db2.gz NAPMTNQKBQHCRK-NKWVEPMBSA-N 2 0 240.307 0.334 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCN2CCO[C@H](C)C2)C1 ZINC000578868056 366661769 /nfs/dbraw/zinc/66/17/69/366661769.db2.gz OBDSILKYCFJVMO-FRRDWIJNSA-N 2 0 241.379 0.376 20 0 BCADRP C[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000578869828 366661829 /nfs/dbraw/zinc/66/18/29/366661829.db2.gz DRHOVVLZKQJHAN-XKNYDFJKSA-N 2 0 213.325 0.165 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CCOC2)[C@H](C)C1 ZINC000090848309 360090708 /nfs/dbraw/zinc/09/07/08/360090708.db2.gz MRLOODQJKKJNHW-FRRDWIJNSA-N 2 0 242.363 0.458 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000612872857 360149115 /nfs/dbraw/zinc/14/91/15/360149115.db2.gz WOLRWFKMHJOFGE-CMPLNLGQSA-N 2 0 240.351 0.132 20 0 BCADRP CC[NH+](CC)CCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612866524 360128092 /nfs/dbraw/zinc/12/80/92/360128092.db2.gz VFAGIGNIJHIEQL-GFCCVEGCSA-N 2 0 242.367 0.379 20 0 BCADRP C[C@@]1(NC(=O)NCC2([NH3+])CCCC2)CC[NH2+]C1 ZINC000612929036 360196957 /nfs/dbraw/zinc/19/69/57/360196957.db2.gz CLGIVWBFZPCMAP-LLVKDONJSA-N 2 0 240.351 0.309 20 0 BCADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@]2(O)CCOC2)CC1(C)C ZINC000623472948 360197122 /nfs/dbraw/zinc/19/71/22/360197122.db2.gz CGGIZKBNQPCTOX-YPMHNXCESA-N 2 0 242.363 0.600 20 0 BCADRP C[C@]1(NC(=O)NC[C@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000612910930 360173951 /nfs/dbraw/zinc/17/39/51/360173951.db2.gz BMBALNGBXLPFMM-PWSUYJOCSA-N 2 0 240.351 0.180 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612910881 360174099 /nfs/dbraw/zinc/17/40/99/360174099.db2.gz AXZNMNJVUHFMGZ-LLVKDONJSA-N 2 0 228.340 0.037 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612922196 360182586 /nfs/dbraw/zinc/18/25/86/360182586.db2.gz CAISQPFCVHDCLG-CKYFFXLPSA-N 2 0 240.351 0.036 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612922660 360183378 /nfs/dbraw/zinc/18/33/78/360183378.db2.gz JSMULCKDEOUQSC-KOLCDFICSA-N 2 0 228.340 0.036 20 0 BCADRP C[C@]1(NC(=O)NC[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000612915676 360190267 /nfs/dbraw/zinc/19/02/67/360190267.db2.gz STWNBRLWJZVTIT-JQWIXIFHSA-N 2 0 240.351 0.037 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612987519 360239240 /nfs/dbraw/zinc/23/92/40/360239240.db2.gz OPDCJOOOCHLLQW-NXEZZACHSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612992760 360248224 /nfs/dbraw/zinc/24/82/24/360248224.db2.gz KELRVLRXYAMQFQ-UWVGGRQHSA-N 2 0 240.351 0.165 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612996560 360250048 /nfs/dbraw/zinc/25/00/48/360250048.db2.gz QNBJPLVOCLEVRS-NXEZZACHSA-N 2 0 240.351 0.036 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)[NH3+])[C@H](C)C1 ZINC000430802805 192892165 /nfs/dbraw/zinc/89/21/65/192892165.db2.gz OFXGRIOYBZKCSS-UTUOFQBUSA-N 2 0 241.379 0.912 20 0 BCADRP COC[C@H](O)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623478366 360433966 /nfs/dbraw/zinc/43/39/66/360433966.db2.gz JGZHPDWSQYRHIY-NWDGAFQWSA-N 2 0 244.379 0.846 20 0 BCADRP CCN(CC[NH3+])C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000626932948 360517146 /nfs/dbraw/zinc/51/71/46/360517146.db2.gz FNKRILCIINUWCO-LLVKDONJSA-N 2 0 244.383 0.707 20 0 BCADRP [NH3+]CCN1CCCC[C@@H]1CN1CCOCC1 ZINC000149105979 360615343 /nfs/dbraw/zinc/61/53/43/360615343.db2.gz LSQOVDMITMQRIY-GFCCVEGCSA-N 2 0 227.352 0.132 20 0 BCADRP OC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000631197068 360710148 /nfs/dbraw/zinc/71/01/48/360710148.db2.gz FDZIICJRLYUAJT-NDBYEHHHSA-N 2 0 224.348 0.974 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000449120366 200659045 /nfs/dbraw/zinc/65/90/45/200659045.db2.gz CPHZMETUCVYFLT-PWSUYJOCSA-N 2 0 229.368 0.864 20 0 BCADRP COCC[NH+]1CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000414684391 200759789 /nfs/dbraw/zinc/75/97/89/200759789.db2.gz VKPKYKZYJGXMPV-CYBMUJFWSA-N 2 0 243.395 0.624 20 0 BCADRP C[NH2+]C[C@@H](C)CNC[C@H]([NH3+])CC(C)C ZINC000414852396 200771224 /nfs/dbraw/zinc/77/12/24/200771224.db2.gz RBZZGFRZUGVFBR-GHMZBOCLSA-N 2 0 201.358 0.805 20 0 BCADRP COC(=O)C(C)(C)CC[NH2+]CCCC[NH3+] ZINC000414899815 200778309 /nfs/dbraw/zinc/77/83/09/200778309.db2.gz GDJNRDZCJIJFPK-UHFFFAOYSA-N 2 0 216.325 0.904 20 0 BCADRP C[C@H]1C[NH+](CCN2CC[NH2+]CC2)C[C@H](C)S1 ZINC000069908574 361001106 /nfs/dbraw/zinc/00/11/06/361001106.db2.gz CUTNXIGYHLSIFC-RYUDHWBXSA-N 2 0 243.420 0.717 20 0 BCADRP [NH3+]CCCOCC[NH2+]Cc1cccc(O)c1 ZINC000629397879 361048049 /nfs/dbraw/zinc/04/80/49/361048049.db2.gz FTVQAKUPFQWVTH-UHFFFAOYSA-N 2 0 224.304 0.847 20 0 BCADRP Cc1n[nH]cc1C[NH2+]CCOCCC[NH3+] ZINC000629398304 361048767 /nfs/dbraw/zinc/04/87/67/361048767.db2.gz AAUQJCFKDHSPJO-UHFFFAOYSA-N 2 0 212.297 0.173 20 0 BCADRP CCOC[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629399140 361049461 /nfs/dbraw/zinc/04/94/61/361049461.db2.gz MLCRXFSXPSNCKY-JTQLQIEISA-N 2 0 204.314 0.366 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@H]1CCCOCC1 ZINC000629399434 361049805 /nfs/dbraw/zinc/04/98/05/361049805.db2.gz GLHROLDUUXVKBW-NSHDSACASA-N 2 0 216.325 0.511 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCOCC1 ZINC000629402760 361052347 /nfs/dbraw/zinc/05/23/47/361052347.db2.gz FANHEWFBCWLNAM-LLVKDONJSA-N 2 0 216.325 0.381 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000424232667 200893575 /nfs/dbraw/zinc/89/35/75/200893575.db2.gz DLOFZXUSPFQOCG-WRWGMCAJSA-N 2 0 239.363 0.890 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1NCC1([NH3+])CCOCC1 ZINC000629519042 361119115 /nfs/dbraw/zinc/11/91/15/361119115.db2.gz DTWDBJXQEAXOHI-NEPJUHHUSA-N 2 0 241.379 0.744 20 0 BCADRP COC[C@H](CCC[NH3+])N[C@H]1CC[NH2+]C12CCC2 ZINC000629516084 361109847 /nfs/dbraw/zinc/10/98/47/361109847.db2.gz WZVOEYIJJUVGSA-RYUDHWBXSA-N 2 0 241.379 0.615 20 0 BCADRP CCn1nncc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629513527 361110670 /nfs/dbraw/zinc/11/06/70/361110670.db2.gz YURXPAYTANULSZ-QJPTWQEYSA-N 2 0 249.362 0.776 20 0 BCADRP CCn1nncc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629513294 361111026 /nfs/dbraw/zinc/11/10/26/361111026.db2.gz YURXPAYTANULSZ-IJLUTSLNSA-N 2 0 249.362 0.776 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccnc1N ZINC000629516500 361114114 /nfs/dbraw/zinc/11/41/14/361114114.db2.gz ILZYWBZVCGVBII-NXEZZACHSA-N 2 0 220.320 0.833 20 0 BCADRP CCn1nnc(C)c1CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000629516448 361114344 /nfs/dbraw/zinc/11/43/44/361114344.db2.gz GAIXHRMQGPTNPY-ONGXEEELSA-N 2 0 237.351 0.776 20 0 BCADRP [NH3+]C1(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000361738908 181324773 /nfs/dbraw/zinc/32/47/73/181324773.db2.gz FYOFBDPWYAEAHR-TUAOUCFPSA-N 2 0 249.358 0.420 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000629527603 361133762 /nfs/dbraw/zinc/13/37/62/361133762.db2.gz AAVWYDRVKKAFAY-WISYIIOYSA-N 2 0 211.353 0.986 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000629527647 361133807 /nfs/dbraw/zinc/13/38/07/361133807.db2.gz BDOXWLTVDQFPKY-NNYUYHANSA-N 2 0 211.353 0.857 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000629527921 361135546 /nfs/dbraw/zinc/13/55/46/361135546.db2.gz JNKBGCZGZOKXHJ-KXNHARMFSA-N 2 0 211.353 0.715 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000629528496 361136916 /nfs/dbraw/zinc/13/69/16/361136916.db2.gz AMYXYVDGDCGVHG-VXGBXAGGSA-N 3 0 229.368 0.295 20 0 BCADRP CN(CC[NH3+])C(=O)c1cccc(C[NH+](C)C)c1 ZINC000578988378 366687583 /nfs/dbraw/zinc/68/75/83/366687583.db2.gz HMKBYULLAHDVKC-UHFFFAOYSA-N 2 0 235.331 0.779 20 0 BCADRP CC[C@@H]([NH2+]CCOCC[NH2+]C)[C@H]1CCOC1 ZINC000629529240 361138429 /nfs/dbraw/zinc/13/84/29/361138429.db2.gz WIGGKIMPDAWPLF-NWDGAFQWSA-N 2 0 230.352 0.627 20 0 BCADRP CC[C@H]([NH2+]CCOCC[NH2+]C)c1cnn(C)c1 ZINC000629529225 361138550 /nfs/dbraw/zinc/13/85/50/361138550.db2.gz VZZRWBYFNFQHON-LBPRGKRZSA-N 2 0 240.351 0.697 20 0 BCADRP CC[C@@H]([NH2+]CCOCC[NH2+]C)[C@@H]1CCOC1 ZINC000629529242 361138603 /nfs/dbraw/zinc/13/86/03/361138603.db2.gz WIGGKIMPDAWPLF-VXGBXAGGSA-N 2 0 230.352 0.627 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOCC[NH2+]C)[C@@H](C)C1 ZINC000629528919 361138757 /nfs/dbraw/zinc/13/87/57/361138757.db2.gz MYTDZTBYENLHDG-QWHCGFSZSA-N 3 0 243.395 0.542 20 0 BCADRP [NH3+]C1(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000366634176 181324328 /nfs/dbraw/zinc/32/43/28/181324328.db2.gz UVPVZEMIKJSDPH-GHMZBOCLSA-N 2 0 237.347 0.468 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000629530489 361144422 /nfs/dbraw/zinc/14/44/22/361144422.db2.gz IDFNSAPPJLSSQH-GMTAPVOTSA-N 2 0 216.325 0.378 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000629531036 361145713 /nfs/dbraw/zinc/14/57/13/361145713.db2.gz YCPWCCFZRMKUFI-WDEREUQCSA-N 2 0 238.335 0.715 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CCn2ccnc21 ZINC000629530907 361145750 /nfs/dbraw/zinc/14/57/50/361145750.db2.gz UWYMLFMFNVOBKB-SNVBAGLBSA-N 2 0 224.308 0.154 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CCn2ccnc21 ZINC000629530906 361145830 /nfs/dbraw/zinc/14/58/30/361145830.db2.gz UWYMLFMFNVOBKB-JTQLQIEISA-N 2 0 224.308 0.154 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000629530035 361147892 /nfs/dbraw/zinc/14/78/92/361147892.db2.gz TVSVVGOXGFYDAH-NEPJUHHUSA-N 2 0 230.352 0.627 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000629530036 361148023 /nfs/dbraw/zinc/14/80/23/361148023.db2.gz TVSVVGOXGFYDAH-NWDGAFQWSA-N 2 0 230.352 0.627 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000629531402 361149004 /nfs/dbraw/zinc/14/90/04/361149004.db2.gz KBVBBLUIOHNLET-GHMZBOCLSA-N 3 0 215.341 0.082 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000629531744 361149070 /nfs/dbraw/zinc/14/90/70/361149070.db2.gz WOZQUZQVURDRLL-AXFHLTTASA-N 2 0 200.326 0.857 20 0 BCADRP CCn1nnc(C)c1CN(C)C1CC([NH3+])C1 ZINC000629532753 361154304 /nfs/dbraw/zinc/15/43/04/361154304.db2.gz PWLBXYKWAQQUIA-UHFFFAOYSA-N 2 0 223.324 0.528 20 0 BCADRP CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000629532673 361154585 /nfs/dbraw/zinc/15/45/85/361154585.db2.gz LOQLGFJSVPKXGX-UTUOFQBUSA-N 2 0 227.352 0.177 20 0 BCADRP CC[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000629524356 361123279 /nfs/dbraw/zinc/12/32/79/361123279.db2.gz PIDOLUJTPYWHNA-DBIOUOCHSA-N 2 0 225.336 0.371 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]1O ZINC000424373195 200924362 /nfs/dbraw/zinc/92/43/62/200924362.db2.gz HYGUASYINWKBJZ-GMTAPVOTSA-N 2 0 216.325 0.243 20 0 BCADRP CN1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000424382743 200927916 /nfs/dbraw/zinc/92/79/16/200927916.db2.gz SLGODUMFAFGHGQ-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]C1(C(=O)NC2CC[NH+](C3CC3)CC2)CCC1 ZINC000147745158 181325978 /nfs/dbraw/zinc/32/59/78/181325978.db2.gz COAZBKCQEQNBBX-UHFFFAOYSA-N 2 0 237.347 0.611 20 0 BCADRP [NH3+]C1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCCC1 ZINC000368201743 181326190 /nfs/dbraw/zinc/32/61/90/181326190.db2.gz NDFDFXNKTMCYOM-IUCAKERBSA-N 2 0 229.299 0.074 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000250839052 181327714 /nfs/dbraw/zinc/32/77/14/181327714.db2.gz LNMUOQDCBUWIJD-NXEZZACHSA-N 2 0 223.320 0.221 20 0 BCADRP CC(C)COC[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613210736 361260346 /nfs/dbraw/zinc/26/03/46/361260346.db2.gz SASXBBQWEXUWDE-XQQFMLRXSA-N 2 0 242.363 0.171 20 0 BCADRP CC(C)COC[C@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613210724 361261055 /nfs/dbraw/zinc/26/10/55/361261055.db2.gz SASXBBQWEXUWDE-FRRDWIJNSA-N 2 0 242.363 0.171 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000579006074 366693911 /nfs/dbraw/zinc/69/39/11/366693911.db2.gz DQWSZGFKYSHHRH-DGCLKSJQSA-N 2 0 249.358 0.973 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2CCC[NH2+]CC2)CCCC1 ZINC000364158829 181326901 /nfs/dbraw/zinc/32/69/01/181326901.db2.gz FNAPFIWMJTYPQH-SNVBAGLBSA-N 2 0 225.336 0.516 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000579107325 366707927 /nfs/dbraw/zinc/70/79/27/366707927.db2.gz HHNMCFFVWCMDRS-MVWJERBFSA-N 2 0 239.363 0.441 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000579107323 366711895 /nfs/dbraw/zinc/71/18/95/366711895.db2.gz HHNMCFFVWCMDRS-DLOVCJGASA-N 2 0 239.363 0.441 20 0 BCADRP C[C@@H]1CN(C(=O)CC2(C[NH3+])CC2)CC[C@@H]1[NH3+] ZINC000579120761 366716313 /nfs/dbraw/zinc/71/63/13/366716313.db2.gz PFADYEYCZWGWOH-ZJUUUORDSA-N 2 0 225.336 0.311 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000428363625 201011627 /nfs/dbraw/zinc/01/16/27/201011627.db2.gz ZNONNEOFXVWFCN-GMTAPVOTSA-N 2 0 225.336 0.419 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000428631439 201030891 /nfs/dbraw/zinc/03/08/91/201030891.db2.gz QLMXRYHOVWKSOV-NWDGAFQWSA-N 2 0 241.379 0.770 20 0 BCADRP CC[C@H](C(=O)N1CCC[NH2+]CC1)[NH+](CC)CC ZINC000428423582 201016144 /nfs/dbraw/zinc/01/61/44/201016144.db2.gz PHUDRXJPEQWBHH-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCCC[NH3+] ZINC000579227118 366738246 /nfs/dbraw/zinc/73/82/46/366738246.db2.gz MTZCMGMUJCVCRZ-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000622044452 370675338 /nfs/dbraw/zinc/67/53/38/370675338.db2.gz GAKOZCLFBHLHEN-SDDRHHMPSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000622044476 370676947 /nfs/dbraw/zinc/67/69/47/370676947.db2.gz HMXXYZBBUNHFIW-WHOHXGKFSA-N 3 0 211.353 0.701 20 0 BCADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000622044473 370677194 /nfs/dbraw/zinc/67/71/94/370677194.db2.gz HMXXYZBBUNHFIW-FIQHERPVSA-N 3 0 211.353 0.701 20 0 BCADRP [NH3+]CCCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000428491369 201024741 /nfs/dbraw/zinc/02/47/41/201024741.db2.gz VHYVZHIQRDGGSH-QWRGUYRKSA-N 2 0 227.352 0.749 20 0 BCADRP C[C@H]([NH3+])CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000622045389 370680223 /nfs/dbraw/zinc/68/02/23/370680223.db2.gz QYOVQNXLTALIMF-SDDRHHMPSA-N 2 0 211.353 0.940 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCC1([NH3+])CCCCCC1 ZINC000428574418 201028117 /nfs/dbraw/zinc/02/81/17/201028117.db2.gz NCAOBZSDNLTHAO-JTQLQIEISA-N 2 0 227.352 0.892 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000428728239 201037792 /nfs/dbraw/zinc/03/77/92/201037792.db2.gz KDMDZHYVYMECPY-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000428950101 201051115 /nfs/dbraw/zinc/05/11/15/201051115.db2.gz DDVVLYLHULQPSB-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000428978117 201054401 /nfs/dbraw/zinc/05/44/01/201054401.db2.gz NLMLVSYQMKALSZ-LLVKDONJSA-N 2 0 227.352 0.668 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H]2CCC[NH2+]2)CCCCCC1 ZINC000237833133 181330247 /nfs/dbraw/zinc/33/02/47/181330247.db2.gz DKZDLZKIGOFFLD-LLVKDONJSA-N 2 0 239.363 0.906 20 0 BCADRP CNC(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429033365 201062075 /nfs/dbraw/zinc/06/20/75/201062075.db2.gz FYANZCNTTOTSBL-GFCCVEGCSA-N 2 0 225.336 0.150 20 0 BCADRP C1=C(C[NH2+]C[C@H]2CCC[NH2+]C2)COCC1 ZINC000379739470 361386614 /nfs/dbraw/zinc/38/66/14/361386614.db2.gz ZDYGONPWEVZLEK-NSHDSACASA-N 2 0 210.321 0.922 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[NH+](C)C ZINC000429176654 201075299 /nfs/dbraw/zinc/07/52/99/201075299.db2.gz YPLNIDAUQULIJF-IJLUTSLNSA-N 2 0 241.379 0.768 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000429167779 201075961 /nfs/dbraw/zinc/07/59/61/201075961.db2.gz YQRPDQRAKPQQSN-SDDRHHMPSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@H]1CCCN(C(=O)C[NH2+]CC2CC2)[C@H]1C[NH3+] ZINC000429160286 201077073 /nfs/dbraw/zinc/07/70/73/201077073.db2.gz SAROZNYYVWVBIK-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000429239278 201082466 /nfs/dbraw/zinc/08/24/66/201082466.db2.gz QARCOXUGWXDQCW-GFCCVEGCSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000429239280 201084017 /nfs/dbraw/zinc/08/40/17/201084017.db2.gz QARCOXUGWXDQCW-LBPRGKRZSA-N 2 0 227.352 0.572 20 0 BCADRP CN(C[C@H](O)C[N@H+](C)C1(CO)CCC1)C1CC1 ZINC000429265880 201084846 /nfs/dbraw/zinc/08/48/46/201084846.db2.gz HOBYKOUOEJIICY-LBPRGKRZSA-N 2 0 242.363 0.288 20 0 BCADRP CC[C@H]([NH2+]CCOCCC[NH3+])c1cnn(C)c1 ZINC000629539197 361404574 /nfs/dbraw/zinc/40/45/74/361404574.db2.gz OYZFHUGMFIPGJE-LBPRGKRZSA-N 2 0 240.351 0.826 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000429408926 201106888 /nfs/dbraw/zinc/10/68/88/201106888.db2.gz XEGFCLBIKJLNAV-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH+](C)CCCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000036757238 361395840 /nfs/dbraw/zinc/39/58/40/361395840.db2.gz SMYVEGPIVUKULO-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP CC[C@@H](Cn1cncn1)[NH2+]CCOCCC[NH3+] ZINC000629535970 361398678 /nfs/dbraw/zinc/39/86/78/361398678.db2.gz DPFRQBVCQZJCCU-NSHDSACASA-N 2 0 241.339 0.012 20 0 BCADRP C[C@@H]([NH2+]CCOCCC[NH3+])[C@H]1CCCOC1 ZINC000629537171 361401029 /nfs/dbraw/zinc/40/10/29/361401029.db2.gz JBPMNTIYZOPYKY-NEPJUHHUSA-N 2 0 230.352 0.757 20 0 BCADRP C[C@H]([NH2+]CCOCCC[NH3+])[C@H]1CCCO1 ZINC000629537167 361401089 /nfs/dbraw/zinc/40/10/89/361401089.db2.gz JAICSHADXCNUEW-WDEREUQCSA-N 2 0 216.325 0.509 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000429318936 201100921 /nfs/dbraw/zinc/10/09/21/201100921.db2.gz SNXKGAOOQUXECF-NSHDSACASA-N 2 0 241.379 0.995 20 0 BCADRP CCC[N@H+](C)CC(=O)NC(CC)(CC)C[NH3+] ZINC000429360725 201104049 /nfs/dbraw/zinc/10/40/49/201104049.db2.gz BMUNKMZQGMDPIL-UHFFFAOYSA-N 2 0 229.368 0.962 20 0 BCADRP C[C@@H]1CC[C@H](N[C@H]2CCC[C@H]2C[NH3+])C[NH2+]1 ZINC000629535660 361410283 /nfs/dbraw/zinc/41/02/83/361410283.db2.gz CSIMLFJHGOOOIN-RHYQMDGZSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@H]([NH2+]CCOCCC[NH3+])c1nccn1C ZINC000629535472 361410329 /nfs/dbraw/zinc/41/03/29/361410329.db2.gz DIZABVUMNLXSAE-JTQLQIEISA-N 2 0 226.324 0.436 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCOCCC[NH3+])c2nccn21 ZINC000629535355 361410494 /nfs/dbraw/zinc/41/04/94/361410494.db2.gz BZNXSDXTCSXXES-WDEREUQCSA-N 2 0 238.335 0.844 20 0 BCADRP Cc1ccncc1CNC1(CO)CC[NH2+]CC1 ZINC000629543433 361411598 /nfs/dbraw/zinc/41/15/98/361411598.db2.gz BJVHWEAALSFONQ-UHFFFAOYSA-N 2 0 235.331 0.594 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000629543726 361412959 /nfs/dbraw/zinc/41/29/59/361412959.db2.gz ALXBUPFKWQZPSW-NNYUYHANSA-N 2 0 211.353 0.844 20 0 BCADRP CC[C@H]([NH2+]CCOCCC[NH3+])c1ccn(C)n1 ZINC000629539841 361407158 /nfs/dbraw/zinc/40/71/58/361407158.db2.gz RMOYVHCDRLINFP-NSHDSACASA-N 2 0 240.351 0.826 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)NC)[C@@H](C)C1 ZINC000429808869 201132998 /nfs/dbraw/zinc/13/29/98/201132998.db2.gz NHHTVXKWICQNAL-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](C[C@H]1COCC[NH2+]1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535407 361409512 /nfs/dbraw/zinc/40/95/12/361409512.db2.gz CENWEXBLFQADPQ-NDBYEHHHSA-N 2 0 241.379 0.484 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629544723 361423228 /nfs/dbraw/zinc/42/32/28/361423228.db2.gz KMLIQQBINDZTAG-JHJVBQTASA-N 2 0 241.379 0.160 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)NCC1=CC[NH2+]CC1 ZINC000579471687 366819355 /nfs/dbraw/zinc/81/93/55/366819355.db2.gz RGCFUPGZEUEYNF-NSHDSACASA-N 2 0 237.347 0.412 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH2+]C1CC1 ZINC000579476211 366822206 /nfs/dbraw/zinc/82/22/06/366822206.db2.gz XCSIQOMGPRPQCP-KOLCDFICSA-N 2 0 225.336 0.243 20 0 BCADRP CN(CC[NH2+][C@H]1CCC[C@@H]1C[NH3+])CC(F)F ZINC000629556121 361448919 /nfs/dbraw/zinc/44/89/19/361448919.db2.gz KCTPEOWOXPGCMQ-ZJUUUORDSA-N 2 0 235.322 0.900 20 0 BCADRP C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)C1C[NH2+]C1 ZINC000629549166 361435844 /nfs/dbraw/zinc/43/58/44/361435844.db2.gz QUBXSNUNIWNRMR-XXILOJSOSA-N 2 0 210.321 0.751 20 0 BCADRP C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000629541717 361416389 /nfs/dbraw/zinc/41/63/89/361416389.db2.gz UTCUBHWXOAFESL-WYUUTHIRSA-N 2 0 211.353 0.857 20 0 BCADRP C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000629541715 361416434 /nfs/dbraw/zinc/41/64/34/361416434.db2.gz UTCUBHWXOAFESL-WISYIIOYSA-N 2 0 211.353 0.857 20 0 BCADRP C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000629541709 361416767 /nfs/dbraw/zinc/41/67/67/361416767.db2.gz UTCUBHWXOAFESL-DDHJBXDOSA-N 2 0 211.353 0.857 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000629541314 361416846 /nfs/dbraw/zinc/41/68/46/361416846.db2.gz YHWZGLMFKHTRCY-QWRGUYRKSA-N 3 0 215.341 0.069 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)Cc1cnn(C)c1 ZINC000629571599 361463127 /nfs/dbraw/zinc/46/31/27/361463127.db2.gz YFAMPTXAVSDJIX-UHFFFAOYSA-N 2 0 226.324 0.088 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000629571857 361463805 /nfs/dbraw/zinc/46/38/05/361463805.db2.gz KOFJLWJJSLUXGG-LBPRGKRZSA-N 3 0 229.368 0.154 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)Cc1cccnc1N ZINC000629572255 361463959 /nfs/dbraw/zinc/46/39/59/361463959.db2.gz POHLEERGWRXZGC-UHFFFAOYSA-N 2 0 238.335 0.332 20 0 BCADRP C[C@H](F)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629580154 361465335 /nfs/dbraw/zinc/46/53/35/361465335.db2.gz NNMHMDWPJXDHDB-QWRGUYRKSA-N 2 0 218.316 0.781 20 0 BCADRP COCC[C@H](C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629580146 361465932 /nfs/dbraw/zinc/46/59/32/361465932.db2.gz NFRHPAOSDWNXJU-STQMWFEESA-N 2 0 244.379 0.705 20 0 BCADRP CC[C@H](C)[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629583466 361468165 /nfs/dbraw/zinc/46/81/65/361468165.db2.gz FRZWTUPZCAOKAH-XQQFMLRXSA-N 2 0 244.379 0.440 20 0 BCADRP FCC[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CCO1 ZINC000629580750 361468726 /nfs/dbraw/zinc/46/87/26/361468726.db2.gz GNTFPRPWQIXEIR-GHMZBOCLSA-N 2 0 216.300 0.656 20 0 BCADRP CCCNC(=O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584264 361469451 /nfs/dbraw/zinc/46/94/51/361469451.db2.gz NNLJXDHWWCWULK-BETUJISGSA-N 2 0 239.363 0.444 20 0 BCADRP CCCCNC(=O)CC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430940646 201160213 /nfs/dbraw/zinc/16/02/13/201160213.db2.gz QELDXBAKVMEJLI-LLVKDONJSA-N 2 0 227.352 0.573 20 0 BCADRP C[C@H]([NH3+])CN1CCC[C@@H](C[NH3+])[C@H]1C(F)(F)F ZINC000629581523 361473144 /nfs/dbraw/zinc/47/31/44/361473144.db2.gz AGAOCSMNVNJTOG-CIUDSAMLSA-N 2 0 239.285 0.935 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[NH+](C)C ZINC000432510984 201162327 /nfs/dbraw/zinc/16/23/27/201162327.db2.gz BNSAPEQLJIOMHQ-QJPTWQEYSA-N 2 0 241.379 0.687 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]C)C1)[NH+](C)C ZINC000629612505 361499181 /nfs/dbraw/zinc/49/91/81/361499181.db2.gz DLXYAASQOFJODU-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH3+])[NH+](C)C ZINC000629612713 361499269 /nfs/dbraw/zinc/49/92/69/361499269.db2.gz GRZKPYDEDSMYBG-GHMZBOCLSA-N 2 0 229.368 0.960 20 0 BCADRP CC[C@@H](C(=O)N1CCC(C[NH2+]C)CC1)[NH+](C)C ZINC000629611665 361501623 /nfs/dbraw/zinc/50/16/23/361501623.db2.gz AAEPSISOJHPFIF-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@H](C(=O)N1CCC([NH3+])CC1)[NH+](C)C ZINC000629611528 361501795 /nfs/dbraw/zinc/50/17/95/361501795.db2.gz WGBLIUKLKWTFDG-SNVBAGLBSA-N 2 0 213.325 0.276 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000629612037 361502631 /nfs/dbraw/zinc/50/26/31/361502631.db2.gz PVSKETONHJXMPU-GARJFASQSA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)[NH+](C)C ZINC000629614677 361503242 /nfs/dbraw/zinc/50/32/42/361503242.db2.gz MGLCJMQTEWBFTO-GRYCIOLGSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000629614991 361503573 /nfs/dbraw/zinc/50/35/73/361503573.db2.gz RDBYUVBZJQMECD-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@@H](C(=O)N1CCC([C@H](C)[NH3+])CC1)[NH+](C)C ZINC000629615588 361505790 /nfs/dbraw/zinc/50/57/90/361505790.db2.gz VVFHDGKHGNMOMG-JQWIXIFHSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+](C)C ZINC000629613711 361507897 /nfs/dbraw/zinc/50/78/97/361507897.db2.gz SBUBXXXVNBRNHQ-OPRDCNLKSA-N 2 0 231.315 0.224 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)[NH+](C)C ZINC000629613394 361508087 /nfs/dbraw/zinc/50/80/87/361508087.db2.gz OJXVBRHRYZJQDH-GMTAPVOTSA-N 2 0 227.352 0.583 20 0 BCADRP CC[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[NH+](C)C ZINC000629614426 361509738 /nfs/dbraw/zinc/50/97/38/361509738.db2.gz JPNGBVUOYNPKPM-AXFHLTTASA-N 2 0 227.352 0.535 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H](CC)[NH+](C)C ZINC000629614377 361509853 /nfs/dbraw/zinc/50/98/53/361509853.db2.gz ZVXJZCVXXHQYRU-BDAKNGLRSA-N 2 0 201.314 0.180 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)Cc1ccn(C)c1 ZINC000629654296 361554272 /nfs/dbraw/zinc/55/42/72/361554272.db2.gz PFLYEDPSDOSFOS-UHFFFAOYSA-N 2 0 225.336 0.693 20 0 BCADRP CC(C)([NH3+])C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000629661843 361594348 /nfs/dbraw/zinc/59/43/48/361594348.db2.gz CWMAJGDIYDFEHF-CMPLNLGQSA-N 2 0 212.337 0.818 20 0 BCADRP Cn1ncc(Cl)c1C[NH2+]CCOCCC[NH3+] ZINC000629682257 361602835 /nfs/dbraw/zinc/60/28/35/361602835.db2.gz ZLNLPUABTMXGAB-UHFFFAOYSA-N 2 0 246.742 0.529 20 0 BCADRP CC(C)C[C@@H]([NH3+])C[NH2+]CCOCCC[NH3+] ZINC000629681829 361603111 /nfs/dbraw/zinc/60/31/11/361603111.db2.gz VJGKOLAIGURQDE-LLVKDONJSA-N 3 0 217.357 0.315 20 0 BCADRP CC(C)C[C@H]([NH3+])C[NH2+]CCOCCC[NH3+] ZINC000629681920 361603304 /nfs/dbraw/zinc/60/33/04/361603304.db2.gz VJGKOLAIGURQDE-NSHDSACASA-N 3 0 217.357 0.315 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000153264269 201228938 /nfs/dbraw/zinc/22/89/38/201228938.db2.gz KQLNDRZXCIYYBS-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[NH+](C)C ZINC000153295636 201230412 /nfs/dbraw/zinc/23/04/12/201230412.db2.gz JJCJUQJASPOGIR-TUAOUCFPSA-N 2 0 241.379 0.781 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[NH+](C)C ZINC000153295809 201230577 /nfs/dbraw/zinc/23/05/77/201230577.db2.gz JJCJUQJASPOGIR-UTUOFQBUSA-N 2 0 241.379 0.781 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000434672721 201230934 /nfs/dbraw/zinc/23/09/34/201230934.db2.gz BWQBIVUGFKCKMZ-MXWKQRLJSA-N 2 0 225.336 0.467 20 0 BCADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CSC2)CC1 ZINC000309979457 491159285 /nfs/dbraw/zinc/15/92/85/491159285.db2.gz VMYGADKTIAVRFX-NSHDSACASA-N 2 0 243.420 0.717 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000434710167 201233954 /nfs/dbraw/zinc/23/39/54/201233954.db2.gz XCRQDLYEPBPCLJ-HOSYDEDBSA-N 2 0 225.336 0.243 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CC[C@@H](C)[NH3+] ZINC000434689414 201235185 /nfs/dbraw/zinc/23/51/85/201235185.db2.gz WDJLNSOAKUXBQA-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435240151 201258317 /nfs/dbraw/zinc/25/83/17/201258317.db2.gz ZTCRQNMFHUMXKD-CMPLNLGQSA-N 2 0 237.347 0.481 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000154235010 201269144 /nfs/dbraw/zinc/26/91/44/201269144.db2.gz NSWYNXPHBZHRKT-MXWKQRLJSA-N 2 0 227.352 0.569 20 0 BCADRP C[NH2+]CCC[N@@H+]1CC[C@H](COCCOC)C1 ZINC000435879689 201291718 /nfs/dbraw/zinc/29/17/18/201291718.db2.gz DVMXEYRQOLZOCE-LBPRGKRZSA-N 2 0 230.352 0.581 20 0 BCADRP C[N@H+](CCN1CCCC1=O)[C@@H]1CCC[NH2+]CC1 ZINC000435611560 201278300 /nfs/dbraw/zinc/27/83/00/201278300.db2.gz BNKZNVVOJWVQFE-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH2+]CC(=O)Nc1ccc(C2=CC[NH2+]CC2)cn1 ZINC000629722458 361662369 /nfs/dbraw/zinc/66/23/69/361662369.db2.gz AVXBXTYNMUWYOK-UHFFFAOYSA-N 2 0 246.314 0.616 20 0 BCADRP [NH3+]C[C@@H](O)COc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000629723203 361662492 /nfs/dbraw/zinc/66/24/92/361662492.db2.gz JTKBMNUBWMVMSV-CYBMUJFWSA-N 2 0 248.326 0.762 20 0 BCADRP CNC(=O)CC1CC[NH+](CCC[NH2+]C)CC1 ZINC000435876443 201292671 /nfs/dbraw/zinc/29/26/71/201292671.db2.gz INIXCMCCIGWWON-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP C[NH2+]CCCN1CCC(NC(=O)C(C)C)CC1 ZINC000435874470 201293048 /nfs/dbraw/zinc/29/30/48/201293048.db2.gz KOURXWYEDGGKSL-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CCCN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000435881774 201295821 /nfs/dbraw/zinc/29/58/21/201295821.db2.gz QDKOIAUJXITGEH-CYBMUJFWSA-N 2 0 241.379 0.250 20 0 BCADRP C[C@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)[NH+](C)C ZINC000436309629 201321268 /nfs/dbraw/zinc/32/12/68/201321268.db2.gz OVKOUAMEFLKLQT-NQBHXWOUSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCn1ccnc1 ZINC000155685062 201346466 /nfs/dbraw/zinc/34/64/66/201346466.db2.gz RAIPGGPAACBXRA-RYUDHWBXSA-N 2 0 222.336 0.813 20 0 BCADRP [NH3+]CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000237953213 181349299 /nfs/dbraw/zinc/34/92/99/181349299.db2.gz VCCRKWLSRAEDPU-NSHDSACASA-N 2 0 225.336 0.280 20 0 BCADRP [NH3+]CC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000002599545 181351058 /nfs/dbraw/zinc/35/10/58/181351058.db2.gz BGBWYJOOBQKDII-UHFFFAOYSA-N 2 0 211.309 0.032 20 0 BCADRP [NH3+]CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000037824221 181350187 /nfs/dbraw/zinc/35/01/87/181350187.db2.gz AWIKEDSOLWQFPP-JTQLQIEISA-N 2 0 211.309 0.032 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000627244729 363848415 /nfs/dbraw/zinc/84/84/15/363848415.db2.gz GTNOZCAPTZJRTJ-ZRUFSTJUSA-N 2 0 240.351 0.129 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627251827 363877083 /nfs/dbraw/zinc/87/70/83/363877083.db2.gz AZXUQHXUPPQPRI-GHMZBOCLSA-N 2 0 240.351 0.119 20 0 BCADRP CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000627251798 363877088 /nfs/dbraw/zinc/87/70/88/363877088.db2.gz ALNOITGUUVWRAN-MXWKQRLJSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627251875 363877090 /nfs/dbraw/zinc/87/70/90/363877090.db2.gz DEVQCEBJERKYHJ-GMTAPVOTSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627252221 363877173 /nfs/dbraw/zinc/87/71/73/363877173.db2.gz OEFJBNOQGNGMDN-GXSJLCMTSA-N 2 0 240.351 0.117 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627251828 363877185 /nfs/dbraw/zinc/87/71/85/363877185.db2.gz AZXUQHXUPPQPRI-WDEREUQCSA-N 2 0 240.351 0.119 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)C)CC[N@@H+]1C ZINC000630408396 364140583 /nfs/dbraw/zinc/14/05/83/364140583.db2.gz LMAJITPUFWYTGS-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)CCc1ncc[nH]1 ZINC000622098937 370707040 /nfs/dbraw/zinc/70/70/40/370707040.db2.gz XNFANOBUQBJSDJ-UHFFFAOYSA-N 2 0 238.335 0.799 20 0 BCADRP CCC[NH+]1CCC(CNC(=O)C[NH+](C)C)CC1 ZINC000170759695 364168666 /nfs/dbraw/zinc/16/86/66/364168666.db2.gz KVJPLPSFFRIUCH-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP [NH3+]CC1(CC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000332164038 181358760 /nfs/dbraw/zinc/35/87/60/181358760.db2.gz RRRUMSVWCXYSCF-NXEZZACHSA-N 2 0 225.336 0.502 20 0 BCADRP [NH3+]CC1(CC(=O)N2CC[C@@H]([NH3+])C2)CCCCC1 ZINC000184130612 181358799 /nfs/dbraw/zinc/35/87/99/181358799.db2.gz LOQFJAUAGSVQBR-LLVKDONJSA-N 2 0 239.363 0.845 20 0 BCADRP CC(C)[C@H]([NH3+])c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630605013 364322818 /nfs/dbraw/zinc/32/28/18/364322818.db2.gz GGDXRABDYWEFIQ-KOLCDFICSA-N 2 0 223.324 0.686 20 0 BCADRP CC(C)[C@@H]([NH3+])c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630605015 364323058 /nfs/dbraw/zinc/32/30/58/364323058.db2.gz GGDXRABDYWEFIQ-MWLCHTKSSA-N 2 0 223.324 0.686 20 0 BCADRP CC[C@H]([NH3+])c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630604505 364328900 /nfs/dbraw/zinc/32/89/00/364328900.db2.gz AQZRBWPOVWFXPU-IUCAKERBSA-N 2 0 209.297 0.440 20 0 BCADRP [NH3+]CCOCc1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607342 364332902 /nfs/dbraw/zinc/33/29/02/364332902.db2.gz GYSFAWMIVHXSOG-UHFFFAOYSA-N 2 0 247.302 0.201 20 0 BCADRP [NH3+]CCCc1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607962 364333087 /nfs/dbraw/zinc/33/30/87/364333087.db2.gz ROEHVVZMYVAGTB-UHFFFAOYSA-N 2 0 231.303 0.617 20 0 BCADRP C[C@H]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)CN1 ZINC000398951102 364279080 /nfs/dbraw/zinc/27/90/80/364279080.db2.gz CALNDIXVCQKWJW-WNYYMSAVSA-N 2 0 211.353 0.986 20 0 BCADRP [NH3+]Cc1nccn1CCC1CC[NH2+]CC1 ZINC000630583217 364288494 /nfs/dbraw/zinc/28/84/94/364288494.db2.gz BJIVZZDUBNXZLP-UHFFFAOYSA-N 2 0 208.309 0.732 20 0 BCADRP [NH3+]CCCCCn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000630591572 364304675 /nfs/dbraw/zinc/30/46/75/364304675.db2.gz XTUHBFFUITWEHW-LLVKDONJSA-N 2 0 237.351 0.559 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000249878016 325662398 /nfs/dbraw/zinc/66/23/98/325662398.db2.gz HHSHRVJCKDJRMF-MXWKQRLJSA-N 2 0 225.336 0.243 20 0 BCADRP c1c(C[NH2+]C2CCCC2)nnn1CC1C[NH2+]C1 ZINC000630614556 364345573 /nfs/dbraw/zinc/34/55/73/364345573.db2.gz WQGKAVMWTZFFML-UHFFFAOYSA-N 2 0 235.335 0.530 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CC1 ZINC000615042719 364411085 /nfs/dbraw/zinc/41/10/85/364411085.db2.gz YIPMTCIXJMZDJL-LLVKDONJSA-N 2 0 241.379 0.926 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)C)CC[N@@H+]1C ZINC000630714838 364489772 /nfs/dbraw/zinc/48/97/72/364489772.db2.gz AZVDJUYMUDXORG-SDDRHHMPSA-N 2 0 241.379 0.783 20 0 BCADRP [NH3+]CC1CC[NH+](Cc2cn3cccnc3n2)CC1 ZINC000044513464 181365210 /nfs/dbraw/zinc/36/52/10/181365210.db2.gz GBGGPPBBUGOCNM-UHFFFAOYSA-N 2 0 245.330 0.900 20 0 BCADRP [NH3+]CCC(=O)NCCC[NH+]1CCCCCC1 ZINC000237856755 181367498 /nfs/dbraw/zinc/36/74/98/181367498.db2.gz MZCFDMQTNGSWBG-UHFFFAOYSA-N 2 0 227.352 0.718 20 0 BCADRP [NH3+]CCC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000375999851 181368137 /nfs/dbraw/zinc/36/81/37/181368137.db2.gz ZYSCDJCVWSKCES-LBPRGKRZSA-N 2 0 233.315 0.338 20 0 BCADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000615309116 364684382 /nfs/dbraw/zinc/68/43/82/364684382.db2.gz QJQISWSHBAUOTO-WOPDTQHZSA-N 2 0 239.363 0.632 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000167476110 364794557 /nfs/dbraw/zinc/79/45/57/364794557.db2.gz LEKYXOVWQBLCON-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP O=C(C1C[NH2+]C1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000573323511 364799178 /nfs/dbraw/zinc/79/91/78/364799178.db2.gz LMDIDQKPVRPNLU-RYUDHWBXSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000573325820 364801260 /nfs/dbraw/zinc/80/12/60/364801260.db2.gz SZYVWNYPVLHXAI-IVZWLZJFSA-N 2 0 227.352 0.603 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)c1ccccc1CC[NH3+] ZINC000573333873 364802393 /nfs/dbraw/zinc/80/23/93/364802393.db2.gz GOKQKNUSPDCXSO-NSHDSACASA-N 2 0 249.358 0.773 20 0 BCADRP C[C@@H](C[NH2+]CCCN1CCCC1)S(C)(=O)=O ZINC000167725012 364803236 /nfs/dbraw/zinc/80/32/36/364803236.db2.gz URODROJAROORMN-NSHDSACASA-N 2 0 248.392 0.495 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC1CC[NH+](C)CC1 ZINC000568625551 364764764 /nfs/dbraw/zinc/76/47/64/364764764.db2.gz OWUVSYXHSCHLQT-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC1CC[NH+](C)CC1 ZINC000568625550 364764922 /nfs/dbraw/zinc/76/49/22/364764922.db2.gz OWUVSYXHSCHLQT-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000573499390 364848362 /nfs/dbraw/zinc/84/83/62/364848362.db2.gz TYYAWWDWFYKARQ-UTUOFQBUSA-N 2 0 229.368 0.016 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NCCCC[NH3+] ZINC000168060820 364852453 /nfs/dbraw/zinc/85/24/53/364852453.db2.gz BXAKLSMURSPEAI-UHFFFAOYSA-N 2 0 215.341 0.607 20 0 BCADRP CC1(C)OCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000336898978 364853021 /nfs/dbraw/zinc/85/30/21/364853021.db2.gz QUPPAYBYRLBBGB-VXGBXAGGSA-N 2 0 242.363 0.600 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)NCC[C@H](C)[NH3+] ZINC000573370781 364812930 /nfs/dbraw/zinc/81/29/30/364812930.db2.gz LTEYELRJUFGHJD-NSHDSACASA-N 2 0 249.358 0.916 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000573372216 364813778 /nfs/dbraw/zinc/81/37/78/364813778.db2.gz DYBNDGPJRLKHOA-AEJSXWLSSA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000573437173 364832332 /nfs/dbraw/zinc/83/23/32/364832332.db2.gz UEPVGEGAJYEBDH-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP Cc1ncc(C[NH2+][C@@H](C)CC[S@](C)=O)n1C ZINC000573459927 364841022 /nfs/dbraw/zinc/84/10/22/364841022.db2.gz QWVVPWDICGVCPD-FVMDXXJSSA-N 2 0 243.376 0.975 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000573488000 364845623 /nfs/dbraw/zinc/84/56/23/364845623.db2.gz MCPMLMIFBOKFJX-NRPADANISA-N 2 0 201.314 0.356 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000573667606 364888207 /nfs/dbraw/zinc/88/82/07/364888207.db2.gz RTLFCEILYGRSDN-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@H](C(N)=O)[NH+]1CCC(CC[NH3+])CC1 ZINC000069729973 541386249 /nfs/dbraw/zinc/38/62/49/541386249.db2.gz CXGMAUNCJMBQMB-SNVBAGLBSA-N 2 0 213.325 0.311 20 0 BCADRP [NH3+]CCCC(=O)NCCC[NH+]1CCCCC1 ZINC000037467405 181371802 /nfs/dbraw/zinc/37/18/02/181371802.db2.gz RRDQVYATMHQSST-UHFFFAOYSA-N 2 0 227.352 0.718 20 0 BCADRP CCC[NH2+]CCNC(=O)NC[C@@H](C)C[NH2+]C ZINC000418399331 219960153 /nfs/dbraw/zinc/96/01/53/219960153.db2.gz WZJPQARJEPPDIY-JTQLQIEISA-N 2 0 230.356 0.141 20 0 BCADRP [NH3+]CCCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000037023863 181372565 /nfs/dbraw/zinc/37/25/65/181372565.db2.gz QWEZVVVHHNEXEP-MNOVXSKESA-N 2 0 225.336 0.468 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000573844463 364929725 /nfs/dbraw/zinc/92/97/25/364929725.db2.gz WWVOEXFUVUKVDP-UWVGGRQHSA-N 2 0 213.325 0.039 20 0 BCADRP C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000573862040 364934045 /nfs/dbraw/zinc/93/40/45/364934045.db2.gz CAFJLQOAXKPNJN-GMTAPVOTSA-N 2 0 248.392 0.669 20 0 BCADRP [NH3+]CCCCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000027712416 181376622 /nfs/dbraw/zinc/37/66/22/181376622.db2.gz LSQFXKRYXUAOKN-LBPRGKRZSA-N 2 0 235.331 0.412 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000573934039 364950812 /nfs/dbraw/zinc/95/08/12/364950812.db2.gz MKZNOGVHUIUBEO-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]CCCCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000040832470 181377639 /nfs/dbraw/zinc/37/76/39/181377639.db2.gz FKPVTMRBCRYYKT-CYBMUJFWSA-N 2 0 247.342 0.556 20 0 BCADRP [NH3+]CCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000367966058 181377703 /nfs/dbraw/zinc/37/77/03/181377703.db2.gz XDZHFOMYGNAERF-VXGBXAGGSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]CCCCNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061612675 181377791 /nfs/dbraw/zinc/37/77/91/181377791.db2.gz AZRVXRUJTXJJBL-GFCCVEGCSA-N 2 0 235.331 0.584 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000573954131 364953838 /nfs/dbraw/zinc/95/38/38/364953838.db2.gz URUUQDDIQSAHRR-NKWVEPMBSA-N 2 0 241.257 0.238 20 0 BCADRP C[NH2+]CC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000573966043 364955787 /nfs/dbraw/zinc/95/57/87/364955787.db2.gz OAZSEFSWOZBHQP-CYBMUJFWSA-N 3 0 225.380 0.917 20 0 BCADRP C[C@H]1CCN(C(=O)CCC[NH3+])C[C@H]1C[NH3+] ZINC000574039322 364964912 /nfs/dbraw/zinc/96/49/12/364964912.db2.gz KNNPXQLBQCKVKA-VHSXEESVSA-N 2 0 213.325 0.169 20 0 BCADRP CC[NH2+]CC1CC[NH+](C[C@](C)(O)C[NH2+]C)CC1 ZINC000574091456 364986048 /nfs/dbraw/zinc/98/60/48/364986048.db2.gz GKHMUXIKKXXGFD-CYBMUJFWSA-N 3 0 243.395 0.278 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000574159881 364999693 /nfs/dbraw/zinc/99/96/93/364999693.db2.gz MDPLEBYPWYJUGV-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000574200965 365009720 /nfs/dbraw/zinc/00/97/20/365009720.db2.gz FHJWGCNVARYITD-GFCCVEGCSA-N 2 0 233.315 0.612 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000574210697 365010698 /nfs/dbraw/zinc/01/06/98/365010698.db2.gz XCFMMINSNNVBNR-NXEZZACHSA-N 2 0 215.341 0.570 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000574212042 365012333 /nfs/dbraw/zinc/01/23/33/365012333.db2.gz GNGKBXRQXCDPSL-CHWSQXEVSA-N 2 0 241.379 0.127 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)N(C)CCC[NH3+])CC[NH2+]1 ZINC000574221292 365014434 /nfs/dbraw/zinc/01/44/34/365014434.db2.gz YONDQSQEZQEWPB-ZJUUUORDSA-N 2 0 228.340 0.117 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000040832382 181381921 /nfs/dbraw/zinc/38/19/21/181381921.db2.gz DWDOCWRZSYKDHL-LBPRGKRZSA-N 2 0 233.315 0.166 20 0 BCADRP [NH3+]C1(C(=O)NC[C@H]2CCCC[NH2+]2)CCCCC1 ZINC000237801091 541449559 /nfs/dbraw/zinc/44/95/59/541449559.db2.gz VOQULYACWDWXMP-LLVKDONJSA-N 2 0 239.363 0.906 20 0 BCADRP C[NH2+]CCCc1nc(C2([NH3+])CCCC2)no1 ZINC000574518010 365080873 /nfs/dbraw/zinc/08/08/73/365080873.db2.gz QZIYPEWZHJWWMT-UHFFFAOYSA-N 2 0 224.308 0.950 20 0 BCADRP [NH3+]CCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000034248912 181392679 /nfs/dbraw/zinc/39/26/79/181392679.db2.gz QWFDQBVRJFRFDY-GFCCVEGCSA-N 2 0 211.353 0.753 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000433160906 192987505 /nfs/dbraw/zinc/98/75/05/192987505.db2.gz IHDZZLATOFLWTK-GHMZBOCLSA-N 2 0 227.352 0.476 20 0 BCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000063178422 181394544 /nfs/dbraw/zinc/39/45/44/181394544.db2.gz PTJPROGLSUNLHD-LLVKDONJSA-N 2 0 225.336 0.183 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000574568995 365092596 /nfs/dbraw/zinc/09/25/96/365092596.db2.gz ITAFDBMQOXFGQS-GFCCVEGCSA-N 2 0 239.363 0.396 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)c1ccccc1CC[NH3+] ZINC000574580764 365094422 /nfs/dbraw/zinc/09/44/22/365094422.db2.gz NOPHVRABGWUPEK-LLVKDONJSA-N 2 0 235.331 0.655 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)c1ccccc1CC[NH3+] ZINC000574580765 365094999 /nfs/dbraw/zinc/09/49/99/365094999.db2.gz NOPHVRABGWUPEK-NSHDSACASA-N 2 0 235.331 0.655 20 0 BCADRP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000237931014 181395349 /nfs/dbraw/zinc/39/53/49/181395349.db2.gz DVFFZCHNPXTMHR-CYBMUJFWSA-N 2 0 247.342 0.726 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000574634946 365107081 /nfs/dbraw/zinc/10/70/81/365107081.db2.gz HKDCFTAJCZMERQ-IVZWLZJFSA-N 2 0 230.356 0.395 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000574688978 365120533 /nfs/dbraw/zinc/12/05/33/365120533.db2.gz WIACHGOMEABKBK-MFKMUULPSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000433110808 192983591 /nfs/dbraw/zinc/98/35/91/192983591.db2.gz CIGKMWZNEVHWBH-PWSUYJOCSA-N 2 0 227.352 0.461 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH+](C)C ZINC000443214384 193014393 /nfs/dbraw/zinc/01/43/93/193014393.db2.gz NOEHCUBAOHXFSH-TXEJJXNPSA-N 2 0 241.379 0.879 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000575045107 365176892 /nfs/dbraw/zinc/17/68/92/365176892.db2.gz PYJHDVUKXWFKKK-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC1C[NH2+]C1 ZINC000574799853 365146436 /nfs/dbraw/zinc/14/64/36/365146436.db2.gz MKTXDOLWVPQWRM-GHMZBOCLSA-N 2 0 211.353 0.859 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000574808896 365149185 /nfs/dbraw/zinc/14/91/85/365149185.db2.gz LJMISSHBVYFSGL-VWYCJHECSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000575121823 365211152 /nfs/dbraw/zinc/21/11/52/365211152.db2.gz IRTYJMCEVKKRNJ-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP CN(C(=O)c1coc(C[NH3+])c1)C1(C[NH3+])CCC1 ZINC000575124903 365213063 /nfs/dbraw/zinc/21/30/63/365213063.db2.gz MURPJRXQEHZOOE-UHFFFAOYSA-N 2 0 237.303 0.692 20 0 BCADRP CC[C@H]1CN(C)CC[N@@H+]1CCn1ccnc1 ZINC000575176003 365228502 /nfs/dbraw/zinc/22/85/02/365228502.db2.gz AMEDEECPDSREET-LBPRGKRZSA-N 2 0 222.336 0.909 20 0 BCADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444183514 193040024 /nfs/dbraw/zinc/04/00/24/193040024.db2.gz NNLWTDPFCFBRDT-GRYCIOLGSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)[N@@H+]1CCCC[C@H]1C ZINC000444180228 193040044 /nfs/dbraw/zinc/04/00/44/193040044.db2.gz HDBWDEWVJIQZOX-GRYCIOLGSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H](CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)[NH+](C)C ZINC000444187708 193040919 /nfs/dbraw/zinc/04/09/19/193040919.db2.gz SMKRKEOIYDMDMR-FOGDFJRCSA-N 2 0 225.336 0.052 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444193456 193041019 /nfs/dbraw/zinc/04/10/19/193041019.db2.gz RELDJENSIIENGC-NQBHXWOUSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000444191663 193041135 /nfs/dbraw/zinc/04/11/35/193041135.db2.gz XVFYDXGVKXAUFX-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444193457 193041302 /nfs/dbraw/zinc/04/13/02/193041302.db2.gz RELDJENSIIENGC-NTZNESFSSA-N 2 0 237.347 0.196 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444260327 193042017 /nfs/dbraw/zinc/04/20/17/193042017.db2.gz RGTXBFISHCXAQJ-MNOVXSKESA-N 2 0 227.352 0.618 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000444257671 193042394 /nfs/dbraw/zinc/04/23/94/193042394.db2.gz FGWJXMZQQVUOBJ-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]2)C[N@@H+]1C1CC1 ZINC000444272485 193043191 /nfs/dbraw/zinc/04/31/91/193043191.db2.gz XKAHCUHZQKEFRT-FXPVBKGRSA-N 2 0 223.320 0.090 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000444273528 193043322 /nfs/dbraw/zinc/04/33/22/193043322.db2.gz QFPCQDDAUYBPTB-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CC[NH2+]1 ZINC000444265738 193044129 /nfs/dbraw/zinc/04/41/29/193044129.db2.gz RCRWWVRIJJELOD-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000575194473 365237604 /nfs/dbraw/zinc/23/76/04/365237604.db2.gz IRENFVKOLISRQS-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP O=C(CC[NH2+]C1CC1)NCC[C@H]1CC[NH2+]C1 ZINC000575328942 365292316 /nfs/dbraw/zinc/29/23/16/365292316.db2.gz APVUJGMXJAYTRR-SNVBAGLBSA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C2(C[NH3+])CCCC2)C1 ZINC000575802365 365367825 /nfs/dbraw/zinc/36/78/25/365367825.db2.gz MQHGUQFXCXLQGM-MNOVXSKESA-N 2 0 239.363 0.749 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000575916363 365412252 /nfs/dbraw/zinc/41/22/52/365412252.db2.gz DVJQYVFIIZLJGA-SRVKXCTJSA-N 2 0 241.379 0.641 20 0 BCADRP C[C@H](NC(=O)C(C)(C)C[NH3+])[C@H]1CCC[NH2+]C1 ZINC000576028940 365454925 /nfs/dbraw/zinc/45/49/25/365454925.db2.gz FIYLGLVZOOUHAA-UWVGGRQHSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000579590161 366894113 /nfs/dbraw/zinc/89/41/13/366894113.db2.gz MUSUGLJNVAWQQN-YTWAJWBKSA-N 2 0 225.336 0.099 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000579602893 366901132 /nfs/dbraw/zinc/90/11/32/366901132.db2.gz XHGMVVNSVTXQRM-NWDGAFQWSA-N 3 0 229.368 0.018 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)CC[C@H](C)[NH3+] ZINC000576109049 365490587 /nfs/dbraw/zinc/49/05/87/365490587.db2.gz JRRPSNPJKBZOFP-DJLDLDEBSA-N 2 0 201.314 0.356 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)CCCC[NH3+])C1 ZINC000576110992 365491158 /nfs/dbraw/zinc/49/11/58/365491158.db2.gz GMBBQGMXLMPIPN-NSHDSACASA-N 2 0 227.352 0.573 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)C(F)F ZINC000579712038 366983387 /nfs/dbraw/zinc/98/33/87/366983387.db2.gz NBPXEBNMQWEOHN-VHSKPIJISA-N 2 0 247.289 0.085 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000579709126 366986969 /nfs/dbraw/zinc/98/69/69/366986969.db2.gz WQZGUAMNRREDKW-WCBMZHEXSA-N 2 0 213.325 0.086 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C(F)F ZINC000579712035 366987746 /nfs/dbraw/zinc/98/77/46/366987746.db2.gz NBPXEBNMQWEOHN-DKCNOQQISA-N 2 0 247.289 0.085 20 0 BCADRP CCO[C@H](CC[NH+](C)C)CNC1=[NH+]CCCN1 ZINC000440530110 201487060 /nfs/dbraw/zinc/48/70/60/201487060.db2.gz GUSJAKYXXLOLFP-LLVKDONJSA-N 2 0 242.367 0.282 20 0 BCADRP CC1(CNC(=O)C[NH2+]CC2CC2)CC[NH2+]CC1 ZINC000183358227 367016729 /nfs/dbraw/zinc/01/67/29/367016729.db2.gz QOLQHCONMSLOPY-UHFFFAOYSA-N 2 0 239.363 0.492 20 0 BCADRP [NH3+]CC1(CC(=O)NCC2([NH3+])CCC2)CC1 ZINC000579833682 367038107 /nfs/dbraw/zinc/03/81/07/367038107.db2.gz DOWCXBVVTLGVLI-UHFFFAOYSA-N 2 0 211.309 0.113 20 0 BCADRP C[C@@H](NC(=O)C1(C[NH3+])CCCC1)[C@H](C)[NH3+] ZINC000579836821 367040073 /nfs/dbraw/zinc/04/00/73/367040073.db2.gz WTIIKFWXZLHISS-DTWKUNHWSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CCCC[NH3+] ZINC000579839710 367042455 /nfs/dbraw/zinc/04/24/55/367042455.db2.gz PAKBFDWDKVIULL-JFGNBEQYSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)CCC[NH3+] ZINC000380158419 367146124 /nfs/dbraw/zinc/14/61/24/367146124.db2.gz ZWMJKXXBBKWMKK-VIFPVBQESA-N 2 0 201.314 0.359 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000193170471 367154842 /nfs/dbraw/zinc/15/48/42/367154842.db2.gz NZCYCNHLVHYUMB-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000580775116 367162467 /nfs/dbraw/zinc/16/24/67/367162467.db2.gz NYVDSWLHZDLJRE-LOWVWBTDSA-N 2 0 237.347 0.326 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[NH2+]C(C)(C)C ZINC000580962998 367219309 /nfs/dbraw/zinc/21/93/09/367219309.db2.gz MTAJDBDKZCTBTD-QMMMGPOBSA-N 2 0 201.314 0.099 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000580891864 367198908 /nfs/dbraw/zinc/19/89/08/367198908.db2.gz LRDRHYFSAKEMNJ-WXHSDQCUSA-N 2 0 247.342 0.801 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000580951343 367214196 /nfs/dbraw/zinc/21/41/96/367214196.db2.gz MNOVYQHLRABMCZ-MXWKQRLJSA-N 2 0 225.336 0.357 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000580951231 367214771 /nfs/dbraw/zinc/21/47/71/367214771.db2.gz DPKFBOMACQZKMY-AXFHLTTASA-N 2 0 227.352 0.631 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000581120790 367268161 /nfs/dbraw/zinc/26/81/61/367268161.db2.gz BGAXMERDZXSBAH-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000581132519 367272023 /nfs/dbraw/zinc/27/20/23/367272023.db2.gz WHDIPMADHLRMDL-GMXVVIOVSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1OCC[N@H+](CCOCC[NH3+])[C@@H]1C ZINC000380547753 367238804 /nfs/dbraw/zinc/23/88/04/367238804.db2.gz XTSFRDXPGWYJQW-NXEZZACHSA-N 2 0 202.298 0.071 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000581309963 367338487 /nfs/dbraw/zinc/33/84/87/367338487.db2.gz AIDILBIFBIOVTJ-XQQFMLRXSA-N 3 0 225.380 0.916 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000581187551 367287064 /nfs/dbraw/zinc/28/70/64/367287064.db2.gz CHHCULGWQUUZHK-JQWIXIFHSA-N 2 0 248.330 0.030 20 0 BCADRP CC(C)([NH3+])C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000380772618 367301094 /nfs/dbraw/zinc/30/10/94/367301094.db2.gz ZELLLPYNWJCNFL-GFCCVEGCSA-N 2 0 222.332 0.917 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000581249616 367307650 /nfs/dbraw/zinc/30/76/50/367307650.db2.gz AJBBSVGAFIPHGQ-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)C1(C[NH3+])CCCC1 ZINC000381297255 367377237 /nfs/dbraw/zinc/37/72/37/367377237.db2.gz GXXRSKYYTMMEKT-VIFPVBQESA-N 2 0 213.325 0.359 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000381322339 367380753 /nfs/dbraw/zinc/38/07/53/367380753.db2.gz PIMZWHPCSFCPEI-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000381391203 367392861 /nfs/dbraw/zinc/39/28/61/367392861.db2.gz NJBVMEXSUBRXKI-UWVGGRQHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC1(C)CC[NH2+]CC1 ZINC000381435681 367403005 /nfs/dbraw/zinc/40/30/05/367403005.db2.gz CNSUFIHEDDMDMP-SECBINFHSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C[C@@]1(C)CC[NH2+]C1 ZINC000381438773 367405073 /nfs/dbraw/zinc/40/50/73/367405073.db2.gz YPLUTMYGKNYEDY-UTUOFQBUSA-N 2 0 211.353 0.655 20 0 BCADRP COC[C@@H](C)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000381462832 367410715 /nfs/dbraw/zinc/41/07/15/367410715.db2.gz LNTHESAQUHDZCG-NSHDSACASA-N 2 0 230.352 0.315 20 0 BCADRP [NH3+]CCCCc1nc(C2([NH3+])CCC2)no1 ZINC000381264543 367372167 /nfs/dbraw/zinc/37/21/67/367372167.db2.gz SYXKFCVXQRCKJX-UHFFFAOYSA-N 2 0 210.281 0.689 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)C[NH3+])C1 ZINC000381285703 367374859 /nfs/dbraw/zinc/37/48/59/367374859.db2.gz ZNUYHOPYESRHIM-ZJUUUORDSA-N 2 0 213.325 0.039 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000581429121 367467054 /nfs/dbraw/zinc/46/70/54/367467054.db2.gz XFTRHEGLNVMKBC-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP CCN1CC[C@@H]([NH2+]CC2(O)CCOCC2)C1 ZINC000381986732 367475727 /nfs/dbraw/zinc/47/57/27/367475727.db2.gz GPUWEKCSOBZWCJ-LLVKDONJSA-N 2 0 228.336 0.212 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000381605798 367437775 /nfs/dbraw/zinc/43/77/75/367437775.db2.gz IKJYCTXVZFAWPR-KXUCPTDWSA-N 2 0 213.325 0.226 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000381845151 367461799 /nfs/dbraw/zinc/46/17/99/367461799.db2.gz RKHWYYRTSXKBOL-UWVGGRQHSA-N 2 0 213.325 0.100 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000381845154 367462462 /nfs/dbraw/zinc/46/24/62/367462462.db2.gz RKHWYYRTSXKBOL-ZJUUUORDSA-N 2 0 213.325 0.100 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000382549801 367537047 /nfs/dbraw/zinc/53/70/47/367537047.db2.gz HCBGERUJKYLNAB-WDEREUQCSA-N 2 0 218.341 0.491 20 0 BCADRP COC[C@@](C)(O)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000382549799 367537435 /nfs/dbraw/zinc/53/74/35/367537435.db2.gz HCBGERUJKYLNAB-QWRGUYRKSA-N 2 0 218.341 0.491 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000382571536 367542260 /nfs/dbraw/zinc/54/22/60/367542260.db2.gz RNDYNHWBRONDMU-YVECIDJPSA-N 2 0 244.379 0.702 20 0 BCADRP COC[C@](C)(O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000382569205 367542376 /nfs/dbraw/zinc/54/23/76/367542376.db2.gz QAEOBKLILLAUQV-CYBMUJFWSA-N 2 0 244.379 0.846 20 0 BCADRP CC[NH2+]CCCNC(=O)NC[C@@H](C)C[NH2+]C ZINC000581478549 367511287 /nfs/dbraw/zinc/51/12/87/367511287.db2.gz YTOGIZHIACULQY-JTQLQIEISA-N 2 0 230.356 0.141 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000581488183 367519112 /nfs/dbraw/zinc/51/91/12/367519112.db2.gz SYGFDVMBQICIOZ-POYBYMJQSA-N 2 0 235.278 0.226 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCC(C)(C)C[NH+](C)C ZINC000382962646 367573391 /nfs/dbraw/zinc/57/33/91/367573391.db2.gz PCBSJGXZBLKTEY-SNVBAGLBSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000383141373 367601276 /nfs/dbraw/zinc/60/12/76/367601276.db2.gz JXOAGOQXEVHOCN-KOLCDFICSA-N 2 0 237.347 0.480 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@H+](C)C1CC1 ZINC000383203754 367606807 /nfs/dbraw/zinc/60/68/07/367606807.db2.gz XLWIDRNFXMRHMP-SECBINFHSA-N 2 0 225.336 0.337 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000565714294 325946969 /nfs/dbraw/zinc/94/69/69/325946969.db2.gz ICHNIEPDBIGHRD-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000383302657 367611689 /nfs/dbraw/zinc/61/16/89/367611689.db2.gz HSQSWZAJXNQQNB-VHSXEESVSA-N 2 0 239.363 0.726 20 0 BCADRP C[C@H](CC[NH+](C)C)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000383644572 367645762 /nfs/dbraw/zinc/64/57/62/367645762.db2.gz CDKUAMJBUBDWQD-DGCLKSJQSA-N 2 0 243.395 0.371 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN(C)Cc1nccn1C ZINC000383661654 367647149 /nfs/dbraw/zinc/64/71/49/367647149.db2.gz GLAVJXNWZCYLAU-LLVKDONJSA-N 2 0 240.351 0.165 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)C1CCOCC1 ZINC000383679957 367649136 /nfs/dbraw/zinc/64/91/36/367649136.db2.gz QMTLHARXRNLIQU-DGCLKSJQSA-N 2 0 244.379 0.704 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)C[NH+]1CCCC1 ZINC000384798981 367733902 /nfs/dbraw/zinc/73/39/02/367733902.db2.gz CDLHCGAKIFNCFT-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CC[NH2+]1 ZINC000384832571 367738626 /nfs/dbraw/zinc/73/86/26/367738626.db2.gz LMRRWFBRNSNWKV-MXWKQRLJSA-N 2 0 223.320 0.091 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)[C@H](C)O1 ZINC000384921516 367756743 /nfs/dbraw/zinc/75/67/43/367756743.db2.gz RHACSUKTWJJDFC-XQHKEYJVSA-N 2 0 242.363 0.599 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364581029 181432316 /nfs/dbraw/zinc/43/23/16/181432316.db2.gz PWQSEXXBLWFXAF-SRRSOLGSSA-N 2 0 237.347 0.230 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H](C)O1 ZINC000384961212 367764986 /nfs/dbraw/zinc/76/49/86/367764986.db2.gz SEGPEPQCIZIWOF-IJLUTSLNSA-N 2 0 230.352 0.720 20 0 BCADRP C[NH+](C)C1(C(=O)NCC[NH2+]C(C)(C)C)CC1 ZINC000622385525 370883040 /nfs/dbraw/zinc/88/30/40/370883040.db2.gz UCBKFAKBAPCTSE-UHFFFAOYSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000581727327 367792441 /nfs/dbraw/zinc/79/24/41/367792441.db2.gz ZSUTXHLMYDPZEL-LPEHRKFASA-N 2 0 227.352 0.474 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000581727325 367792681 /nfs/dbraw/zinc/79/26/81/367792681.db2.gz ZSUTXHLMYDPZEL-IVZWLZJFSA-N 2 0 227.352 0.474 20 0 BCADRP [NH3+]C1(c2noc(CC[NH2+]C3CC3)n2)CCC1 ZINC000581734289 367798381 /nfs/dbraw/zinc/79/83/81/367798381.db2.gz GVZFTKQRNLPGBF-UHFFFAOYSA-N 2 0 222.292 0.702 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000581883415 367874176 /nfs/dbraw/zinc/87/41/76/367874176.db2.gz FLQDJYCHFJCABG-GARJFASQSA-N 2 0 227.352 0.603 20 0 BCADRP CN(C(=O)CCCC[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000566193870 326010080 /nfs/dbraw/zinc/01/00/80/326010080.db2.gz OBYVCLTZLFMZIM-LBPRGKRZSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCN2CC[NH2+]CC2)[C@H]1C ZINC000386089898 367911198 /nfs/dbraw/zinc/91/11/98/367911198.db2.gz FQTMPJFHYRHDMY-WOPDTQHZSA-N 2 0 211.353 0.526 20 0 BCADRP C[C@@H]([NH2+]CCCCO)[C@H]1CCCC[NH2+]1 ZINC000386103676 367912394 /nfs/dbraw/zinc/91/23/94/367912394.db2.gz KGRLOYKJEMRAJO-GHMZBOCLSA-N 2 0 200.326 0.879 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000441621889 201559247 /nfs/dbraw/zinc/55/92/47/201559247.db2.gz PLWFFDPDUCOWKE-ZYHUDNBSSA-N 2 0 235.331 0.440 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000581954424 368021180 /nfs/dbraw/zinc/02/11/80/368021180.db2.gz WZSQQXICQHRIOT-KXNHARMFSA-N 3 0 211.353 0.973 20 0 BCADRP C[C@@H]1CC[N@H+](CC(=O)N2CC(C[NH+](C)C)C2)C1 ZINC000615505586 368081004 /nfs/dbraw/zinc/08/10/04/368081004.db2.gz HEMOUONEDYQSBL-LLVKDONJSA-N 2 0 239.363 0.348 20 0 BCADRP C[NH+](C)CC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000615510878 368085061 /nfs/dbraw/zinc/08/50/61/368085061.db2.gz YWSCFMWBRYOLNU-LLVKDONJSA-N 2 0 225.336 0.101 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC[NH2+]1 ZINC000446398310 201684332 /nfs/dbraw/zinc/68/43/32/201684332.db2.gz XNVNXIKOQHVCNL-GMXVVIOVSA-N 2 0 239.363 0.714 20 0 BCADRP O=C([C@@H]1CCCCC[NH2+]1)N1CCC[NH2+]CC1 ZINC000080993990 368564789 /nfs/dbraw/zinc/56/47/89/368564789.db2.gz SLLPMVGPDJHSPU-NSHDSACASA-N 2 0 225.336 0.341 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)C1CC1 ZINC000063583349 368589896 /nfs/dbraw/zinc/58/98/96/368589896.db2.gz SSHBBHJPYUKYBN-UHFFFAOYSA-N 2 0 227.352 0.537 20 0 BCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC([NH3+])CC1 ZINC000082261715 368662120 /nfs/dbraw/zinc/66/21/20/368662120.db2.gz QCEHRAZRCCNFII-ZDUSSCGKSA-N 2 0 247.342 0.506 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)C ZINC000067573045 368692493 /nfs/dbraw/zinc/69/24/93/368692493.db2.gz NEIUSYBVYHLWGQ-SNVBAGLBSA-N 2 0 215.341 0.393 20 0 BCADRP CC[NH+](CC)CC(=O)NCCC[NH+]1CCCC1 ZINC000068009339 368709601 /nfs/dbraw/zinc/70/96/01/368709601.db2.gz YFDAULSOFWUHHN-UHFFFAOYSA-N 2 0 241.379 0.930 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC(C)(C)C[NH+](C)C ZINC000457214695 203020825 /nfs/dbraw/zinc/02/08/25/203020825.db2.gz XLFYEFGBTSGPOV-UHFFFAOYSA-N 2 0 229.368 0.783 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC(C)(C)C[NH+](C)C ZINC000457243853 203026104 /nfs/dbraw/zinc/02/61/04/203026104.db2.gz QFAYUCDZIDZHJW-QWRGUYRKSA-N 2 0 241.379 0.641 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000457385601 203050112 /nfs/dbraw/zinc/05/01/12/203050112.db2.gz VFCSMIJWHXLBNH-BBBLOLIVSA-N 2 0 213.325 0.308 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000567267978 326153588 /nfs/dbraw/zinc/15/35/88/326153588.db2.gz WJNCYVVAVGHTEJ-SECBINFHSA-N 2 0 225.336 0.324 20 0 BCADRP COCCOCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086402441 368879984 /nfs/dbraw/zinc/87/99/84/368879984.db2.gz IKTZXWSAAMQJPN-NWDGAFQWSA-N 2 0 230.352 0.899 20 0 BCADRP CN(C)C(=O)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403302 368880345 /nfs/dbraw/zinc/88/03/45/368880345.db2.gz GZQOVOLCUWRJMA-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCO[C@H]1C ZINC000631830674 369008988 /nfs/dbraw/zinc/00/89/88/369008988.db2.gz YRLHLTNPCAAXGM-RYUDHWBXSA-N 2 0 230.352 0.579 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCO[C@H]1C ZINC000631830673 369009387 /nfs/dbraw/zinc/00/93/87/369009387.db2.gz YRLHLTNPCAAXGM-NWDGAFQWSA-N 2 0 230.352 0.579 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000091392102 369010375 /nfs/dbraw/zinc/01/03/75/369010375.db2.gz NYSVIBSXTYSENB-YPMHNXCESA-N 2 0 239.363 0.681 20 0 BCADRP CN(C)C(=O)CN1CCCCC[C@H]([NH3+])C1 ZINC000631834703 369034147 /nfs/dbraw/zinc/03/41/47/369034147.db2.gz DFYGXMSKTCUGFN-JTQLQIEISA-N 2 0 213.325 0.278 20 0 BCADRP [NH3+][C@H]1CCCCCN(C[C@H]2CCc3ncnn32)C1 ZINC000631835435 369044168 /nfs/dbraw/zinc/04/41/68/369044168.db2.gz UUSKAIQIAMKSBK-NWDGAFQWSA-N 2 0 249.362 0.969 20 0 BCADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631825301 368988516 /nfs/dbraw/zinc/98/85/16/368988516.db2.gz DZPRXPICUOHDDU-VXGBXAGGSA-N 2 0 249.362 0.826 20 0 BCADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000631838807 369121785 /nfs/dbraw/zinc/12/17/85/369121785.db2.gz VMWGJAGQEDUCEM-WCQYABFASA-N 3 0 225.380 0.903 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000567383929 326180499 /nfs/dbraw/zinc/18/04/99/326180499.db2.gz HBLVRGZQKIWHRO-JXUBOQSCSA-N 2 0 213.325 0.226 20 0 BCADRP CC(C)[C@@H](C(=O)NCC1=CC[NH2+]CC1)[C@@H](C)[NH3+] ZINC000567463315 326197604 /nfs/dbraw/zinc/19/76/04/326197604.db2.gz YTUCNTMLYGDZDO-ZYHUDNBSSA-N 2 0 239.363 0.642 20 0 BCADRP CC[N@H+](C)CCNC(=O)NC[C@H](C)[NH+](C)C ZINC000458010179 203126890 /nfs/dbraw/zinc/12/68/90/203126890.db2.gz HTAHPJTUFJDHHR-JTQLQIEISA-N 2 0 230.356 0.187 20 0 BCADRP [NH3+]C1(C(=O)N2CCC3(CC[NH2+]3)CC2)CCC1 ZINC000567587500 326223498 /nfs/dbraw/zinc/22/34/98/326223498.db2.gz NYQJUQJDQRRQIB-UHFFFAOYSA-N 2 0 223.320 0.222 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)CC[NH2+]C1CC1)C1CC1 ZINC000567626301 326231788 /nfs/dbraw/zinc/23/17/88/326231788.db2.gz JMQFAAQTUPHLMK-LBPRGKRZSA-N 2 0 239.363 0.585 20 0 BCADRP CCCCNC(=O)CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843092 369373116 /nfs/dbraw/zinc/37/31/16/369373116.db2.gz JFYGWRKMVIXDPI-GHMZBOCLSA-N 2 0 227.352 0.429 20 0 BCADRP CCOC(=O)CC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000404905644 369438009 /nfs/dbraw/zinc/43/80/09/369438009.db2.gz ROMYLLLROYFRBR-IUCAKERBSA-N 2 0 214.309 0.655 20 0 BCADRP COC(=O)C[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000259913058 370952573 /nfs/dbraw/zinc/95/25/73/370952573.db2.gz GODONDJBEMPMLO-WDEREUQCSA-N 2 0 226.320 0.623 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000567846682 326269210 /nfs/dbraw/zinc/26/92/10/326269210.db2.gz MFABFHBOLOQVCA-GARJFASQSA-N 2 0 227.352 0.557 20 0 BCADRP OCC[NH2+]C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000631862272 369503205 /nfs/dbraw/zinc/50/32/05/369503205.db2.gz HMQDHNPQBSKHHS-ZDUSSCGKSA-N 2 0 242.363 0.602 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000165602934 203385604 /nfs/dbraw/zinc/38/56/04/203385604.db2.gz OLAQUEAYHGUHHC-RYUDHWBXSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000567925828 326284256 /nfs/dbraw/zinc/28/42/56/326284256.db2.gz VNRVVLJXYIADDH-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000251853876 369977724 /nfs/dbraw/zinc/97/77/24/369977724.db2.gz NJOQADPZXQXZSN-VXGBXAGGSA-N 2 0 211.353 0.764 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000620774684 370000503 /nfs/dbraw/zinc/00/05/03/370000503.db2.gz IGICWTGVCMLHAV-LLVKDONJSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)NCCC[NH+](C)C ZINC000621012589 370072415 /nfs/dbraw/zinc/07/24/15/370072415.db2.gz CXZLIWMRSMLBIT-NSHDSACASA-N 2 0 244.383 0.578 20 0 BCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252697293 370116812 /nfs/dbraw/zinc/11/68/12/370116812.db2.gz GNFUOPHEYSOGOD-BBBLOLIVSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000252881803 370138044 /nfs/dbraw/zinc/13/80/44/370138044.db2.gz YZAWMINZWHBKMT-FIQHERPVSA-N 2 0 239.363 0.713 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000309743118 370253101 /nfs/dbraw/zinc/25/31/01/370253101.db2.gz DTQRPTDMFBAYLV-JTQLQIEISA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]1CN(C(=O)CCCC[NH3+])[C@H](C)C[NH2+]1 ZINC000309760650 370255422 /nfs/dbraw/zinc/25/54/22/370255422.db2.gz IPQBNYLMVMUKTF-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000309831907 370258294 /nfs/dbraw/zinc/25/82/94/370258294.db2.gz YSSRKLMYRRIFJL-IUCAKERBSA-N 2 0 233.381 0.166 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000309814276 370264903 /nfs/dbraw/zinc/26/49/03/370264903.db2.gz UZMXIXLBWZLIQV-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000309831900 370266001 /nfs/dbraw/zinc/26/60/01/370266001.db2.gz YSQMRVKDWGGRMO-UTUOFQBUSA-N 2 0 211.353 0.655 20 0 BCADRP C[C@@H]1CN(C(=O)CC[NH2+]C2CC2)[C@H](C)C[NH2+]1 ZINC000568230978 326328736 /nfs/dbraw/zinc/32/87/36/326328736.db2.gz IZBRUTSXNSYZBK-NXEZZACHSA-N 2 0 225.336 0.337 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621679373 370428963 /nfs/dbraw/zinc/42/89/63/370428963.db2.gz KBVNFCWCUSDASW-ZYHUDNBSSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621679370 370429364 /nfs/dbraw/zinc/42/93/64/370429364.db2.gz KBVNFCWCUSDASW-CMPLNLGQSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621682160 370431200 /nfs/dbraw/zinc/43/12/00/370431200.db2.gz AELISUWLNNDEDQ-HOSYDEDBSA-N 2 0 225.336 0.454 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684393 370431772 /nfs/dbraw/zinc/43/17/72/370431772.db2.gz LSQZKWTTYFNFBS-UMNHJUIQSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621683600 370432499 /nfs/dbraw/zinc/43/24/99/370432499.db2.gz YLZDCQZWUDYRDI-NOHGZBONSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[NH2+]1)C2 ZINC000621683901 370432542 /nfs/dbraw/zinc/43/25/42/370432542.db2.gz DQUWNGJFIAKEIO-NHCYSSNCSA-N 2 0 223.320 0.078 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621683601 370432621 /nfs/dbraw/zinc/43/26/21/370432621.db2.gz YLZDCQZWUDYRDI-SRRSOLGSSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)co1 ZINC000621683582 370432718 /nfs/dbraw/zinc/43/27/18/370432718.db2.gz YDGXVJVJLMFIPE-GWCFXTLKSA-N 2 0 249.314 0.692 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684391 370433863 /nfs/dbraw/zinc/43/38/63/370433863.db2.gz LSQZKWTTYFNFBS-NHCYSSNCSA-N 2 0 225.336 0.310 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684200 370433979 /nfs/dbraw/zinc/43/39/79/370433979.db2.gz IVFNQPXAUULCSQ-CABZTGNLSA-N 2 0 225.336 0.311 20 0 BCADRP CC(C)([NH3+])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684137 370434017 /nfs/dbraw/zinc/43/40/17/370434017.db2.gz IAPLZAOKDKXZSZ-KCJUWKMLSA-N 2 0 211.309 0.064 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621621526 370403052 /nfs/dbraw/zinc/40/30/52/370403052.db2.gz AWDYWQRQOINPBP-QWRGUYRKSA-N 2 0 227.352 0.620 20 0 BCADRP O=C(CC[C@H]1CCC[NH2+]C1)NC1CC[NH2+]CC1 ZINC000621619920 370404452 /nfs/dbraw/zinc/40/44/52/370404452.db2.gz KBXAPSIFGQJYNT-LLVKDONJSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621620924 370405471 /nfs/dbraw/zinc/40/54/71/370405471.db2.gz MKUMAYOBFJYTFR-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP O=C(CC[C@H]1CCC[NH2+]C1)N[C@H]1CC[NH2+]C1 ZINC000621621120 370405634 /nfs/dbraw/zinc/40/56/34/370405634.db2.gz SAUHQZJAPZGYND-MNOVXSKESA-N 2 0 225.336 0.244 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684352 370434551 /nfs/dbraw/zinc/43/45/51/370434551.db2.gz KWWXTUBWLCNGCV-NOHGZBONSA-N 2 0 239.363 0.700 20 0 BCADRP CC[NH2+]CCCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621621357 370405775 /nfs/dbraw/zinc/40/57/75/370405775.db2.gz ZVCFWUOBZAVOIT-LBPRGKRZSA-N 2 0 241.379 0.882 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621685120 370434632 /nfs/dbraw/zinc/43/46/32/370434632.db2.gz ZBHZMNIVLOFMNR-ATZCPNFKSA-N 2 0 211.309 0.064 20 0 BCADRP CN(C(=O)CC[C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000621622664 370407280 /nfs/dbraw/zinc/40/72/80/370407280.db2.gz JPXBBJGCYFKSBR-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621622729 370408205 /nfs/dbraw/zinc/40/82/05/370408205.db2.gz LINHPCOILPUINH-RYUDHWBXSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684887 370434881 /nfs/dbraw/zinc/43/48/81/370434881.db2.gz VELBVGQLJNTYLB-CMPLNLGQSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+][C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000621652795 370413109 /nfs/dbraw/zinc/41/31/09/370413109.db2.gz GQEONJZNUXZKST-JQWIXIFHSA-N 2 0 239.363 0.620 20 0 BCADRP CCC[NH2+]CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621653341 370413183 /nfs/dbraw/zinc/41/31/83/370413183.db2.gz VUORHRAXYBLXAA-GFCCVEGCSA-N 2 0 241.379 0.882 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684484 370435007 /nfs/dbraw/zinc/43/50/07/370435007.db2.gz NCXARTRULDICJQ-GIPNMCIBSA-N 2 0 239.363 0.700 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684725 370435041 /nfs/dbraw/zinc/43/50/41/370435041.db2.gz RKMLWHDJRIDUFF-FXPVBKGRSA-N 2 0 211.309 0.064 20 0 BCADRP [NH3+]C1(CNC(=O)CC[C@@H]2CCC[NH2+]C2)CCC1 ZINC000621654078 370414219 /nfs/dbraw/zinc/41/42/19/370414219.db2.gz PDJLJAJTHXUZAP-NSHDSACASA-N 2 0 239.363 0.764 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621658749 370415571 /nfs/dbraw/zinc/41/55/71/370415571.db2.gz RESUEQJGAHOOMH-DCAQKATOSA-N 2 0 227.352 0.618 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621666169 370416323 /nfs/dbraw/zinc/41/63/23/370416323.db2.gz KZSAAUJOGJBORO-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621693577 370440010 /nfs/dbraw/zinc/44/00/10/370440010.db2.gz YDWKPPNDACBFIF-WCQYABFASA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C[NH2+]C1CC1)C2 ZINC000621698527 370444226 /nfs/dbraw/zinc/44/42/26/370444226.db2.gz ZYCPYNNHYNNONE-BXKDBHETSA-N 2 0 223.320 0.078 20 0 BCADRP C[C@@H](C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)[NH+](C)C ZINC000621698986 370446452 /nfs/dbraw/zinc/44/64/52/370446452.db2.gz JVDJFBZZTXYUMR-UMNHJUIQSA-N 2 0 225.336 0.276 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@]1(C)CCC[NH2+]1 ZINC000568372282 326350580 /nfs/dbraw/zinc/35/05/80/326350580.db2.gz HDZUDLDUIBPMKQ-LBPRGKRZSA-N 2 0 227.352 0.572 20 0 BCADRP C[N@@H+]1CCN(C[C@H]2CC[NH2+]C2)C(C)(C)C1 ZINC000621776610 370519846 /nfs/dbraw/zinc/51/98/46/370519846.db2.gz PXQGUVUVJBUFJI-NSHDSACASA-N 2 0 211.353 0.622 20 0 BCADRP CCn1nccc1CC[N@H+](C)CCC[NH3+] ZINC000621773799 370518810 /nfs/dbraw/zinc/51/88/10/370518810.db2.gz CDVWEIWMVIKFTF-UHFFFAOYSA-N 2 0 210.325 0.726 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCN2CC[C@H](O)C2)CCO1 ZINC000623837470 371119225 /nfs/dbraw/zinc/11/92/25/371119225.db2.gz GLRLQOVJDAVGNG-UTUOFQBUSA-N 2 0 228.336 0.210 20 0 BCADRP C[C@@H]1CC[C@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000623837064 371119384 /nfs/dbraw/zinc/11/93/84/371119384.db2.gz WLHFDNKVLFMRQZ-WOPDTQHZSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@@H]([NH2+]CCN1CC[C@H](O)C1)[C@@H]1C[C@H]1C ZINC000623838190 371121806 /nfs/dbraw/zinc/12/18/06/371121806.db2.gz JZCVBZXSHHAOLS-WISYIIOYSA-N 2 0 212.337 0.687 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000569230409 326395370 /nfs/dbraw/zinc/39/53/70/326395370.db2.gz WNBNJEXCSGXQDN-RHYQMDGZSA-N 2 0 241.379 0.768 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000569220339 326395588 /nfs/dbraw/zinc/39/55/88/326395588.db2.gz AOTJETKFXYQUTP-PWSUYJOCSA-N 2 0 225.336 0.102 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]21 ZINC000125293421 181586282 /nfs/dbraw/zinc/58/62/82/181586282.db2.gz BMIGAZJTNRHFAK-ZMLRMANQSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCN2CC[C@@H](O)C2)[C@@H]1C ZINC000624230892 371418944 /nfs/dbraw/zinc/41/89/44/371418944.db2.gz KJVMSAIIEUSWEK-KKOKHZNYSA-N 2 0 212.337 0.687 20 0 BCADRP CC[NH+]1CCC(NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000624333069 371485361 /nfs/dbraw/zinc/48/53/61/371485361.db2.gz HZNICBXPJFLAOD-ZDUSSCGKSA-N 2 0 241.379 0.127 20 0 BCADRP C[C@H]([NH2+]CCN1CC[C@H](O)C1)C1CCOCC1 ZINC000624334591 371485569 /nfs/dbraw/zinc/48/55/69/371485569.db2.gz CTMNZNIBJLVETK-AAEUAGOBSA-N 2 0 242.363 0.458 20 0 BCADRP O[C@H]1CCN(CC[NH2+][C@H]2CCCOCC2)C1 ZINC000624336692 371486541 /nfs/dbraw/zinc/48/65/41/371486541.db2.gz XFDBOWSKSLWGAW-RYUDHWBXSA-N 2 0 228.336 0.212 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000162073793 371608884 /nfs/dbraw/zinc/60/88/84/371608884.db2.gz LZMPBGQNMXCZNP-VXGBXAGGSA-N 2 0 239.363 0.714 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000131720681 371658803 /nfs/dbraw/zinc/65/88/03/371658803.db2.gz LIXXWLNBGQJREG-UWVGGRQHSA-N 2 0 245.392 0.325 20 0 BCADRP C[C@@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC000131850014 371696897 /nfs/dbraw/zinc/69/68/97/371696897.db2.gz DAJGHLUYDORNMI-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000573205490 326435094 /nfs/dbraw/zinc/43/50/94/326435094.db2.gz VEBHPKIWFDTWSL-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP Cn1cncc1CC[NH2+]Cc1cncn1C ZINC000401702947 371801629 /nfs/dbraw/zinc/80/16/29/371801629.db2.gz BCLOWASSQHTQJU-UHFFFAOYSA-N 2 0 219.292 0.486 20 0 BCADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1CC[NH2+]C1 ZINC000127177881 181896686 /nfs/dbraw/zinc/89/66/86/181896686.db2.gz MCJCGWBCLXSAQF-FGNRJIRKSA-N 2 0 237.347 0.385 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC000171189648 372422172 /nfs/dbraw/zinc/42/21/72/372422172.db2.gz HTNSMSOZLZPUPD-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C[NH+](C)C ZINC000171179428 372420753 /nfs/dbraw/zinc/42/07/53/372420753.db2.gz MDGBCRGMABBNML-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631821147 372595350 /nfs/dbraw/zinc/59/53/50/372595350.db2.gz QHQIJVNBDSIJPD-RYUDHWBXSA-N 2 0 249.362 0.697 20 0 BCADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000631826764 372606325 /nfs/dbraw/zinc/60/63/25/372606325.db2.gz WLMTWVDUCFWYTH-RYUDHWBXSA-N 2 0 249.362 0.969 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CCCCC[C@@H]([NH3+])C1 ZINC000631834860 372620241 /nfs/dbraw/zinc/62/02/41/372620241.db2.gz HHUYDRUSFUSQFW-NEPJUHHUSA-N 2 0 229.368 0.160 20 0 BCADRP C[C@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000631837289 372626788 /nfs/dbraw/zinc/62/67/88/372626788.db2.gz AAIDUHQJIJKGKS-GXSJLCMTSA-N 2 0 208.309 0.447 20 0 BCADRP C[C@H]1C[N@H+](CC2(O)CCOCC2)C[C@H]1C[NH3+] ZINC000631837893 372628536 /nfs/dbraw/zinc/62/85/36/372628536.db2.gz XXIVNYINFMNQIX-WDEREUQCSA-N 2 0 228.336 0.055 20 0 BCADRP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840234 372636333 /nfs/dbraw/zinc/63/63/33/372636333.db2.gz AYZJHZQQONHPHK-NOOOWODRSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H]1OCC[C@H]1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631861696 372663395 /nfs/dbraw/zinc/66/33/95/372663395.db2.gz HFGUZXLZRVJTRP-NEPJUHHUSA-N 2 0 242.363 0.458 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]CC1)NCC[NH2+]C1CC1 ZINC000364461912 182019221 /nfs/dbraw/zinc/01/92/21/182019221.db2.gz BMUXYBKVCLFJGJ-LLVKDONJSA-N 2 0 239.363 0.634 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372887901 182017971 /nfs/dbraw/zinc/01/79/71/182017971.db2.gz AVWDNGLJVNRUCW-SDDRHHMPSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000632868783 373198902 /nfs/dbraw/zinc/19/89/02/373198902.db2.gz VPYIAQGKXPBWKU-QWRGUYRKSA-N 2 0 247.342 0.745 20 0 BCADRP C[NH2+]CC(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000632878084 373204059 /nfs/dbraw/zinc/20/40/59/373204059.db2.gz KDNUPCFROBGJHT-SNVBAGLBSA-N 2 0 233.315 0.370 20 0 BCADRP O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000368528397 182083530 /nfs/dbraw/zinc/08/35/30/182083530.db2.gz QAGHFGGIRRSLBP-GFQSEFKGSA-N 2 0 249.358 0.054 20 0 BCADRP [NH3+]CC1(C(=O)NC[C@@H]2CCC[NH2+]2)CCCC1 ZINC000178733800 205642657 /nfs/dbraw/zinc/64/26/57/205642657.db2.gz FUPYGNLOUQINAO-JTQLQIEISA-N 2 0 225.336 0.374 20 0 BCADRP O=C(NCCC[NH2+]C1CC1)NCC[NH2+]C1CC1 ZINC000634174417 373984085 /nfs/dbraw/zinc/98/40/85/373984085.db2.gz IXLCMNKSIAOQHC-UHFFFAOYSA-N 2 0 240.351 0.180 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634269746 374083579 /nfs/dbraw/zinc/08/35/79/374083579.db2.gz IRZXAXTUYFFZBD-MNOVXSKESA-N 2 0 242.367 0.411 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634270082 374083641 /nfs/dbraw/zinc/08/36/41/374083641.db2.gz LRPRXUBLZXBQGK-GUBZILKMSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@@H](NC(=O)NC[C@@H]1CCCC[NH2+]1)[C@H](C)[NH3+] ZINC000634270078 374083654 /nfs/dbraw/zinc/08/36/54/374083654.db2.gz LRPRXUBLZXBQGK-AEJSXWLSSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634268566 374083346 /nfs/dbraw/zinc/08/33/46/374083346.db2.gz BDSKDACJFCQMJF-GHMZBOCLSA-N 2 0 242.367 0.555 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C[C@H](C)[NH3+])CC[N@@H+]1C ZINC000634300587 374126788 /nfs/dbraw/zinc/12/67/88/374126788.db2.gz DPRRGHVHPICGGY-WDEREUQCSA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634300635 374127052 /nfs/dbraw/zinc/12/70/52/374127052.db2.gz FZPOEWIRTZXUAB-WDEREUQCSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634271012 374084575 /nfs/dbraw/zinc/08/45/75/374084575.db2.gz QBGGQJQRTDFMTH-UWVGGRQHSA-N 2 0 228.340 0.023 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000634271291 374084810 /nfs/dbraw/zinc/08/48/10/374084810.db2.gz SQTIZZSWAXRNEU-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP CC[NH2+]CCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634270579 374085032 /nfs/dbraw/zinc/08/50/32/374085032.db2.gz OKIXBDUHWOMIDZ-JTQLQIEISA-N 2 0 228.340 0.037 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000634271289 374085038 /nfs/dbraw/zinc/08/50/38/374085038.db2.gz SQTIZZSWAXRNEU-QWRGUYRKSA-N 2 0 240.351 0.132 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NC[C@@H](C)C[NH2+]C ZINC000418388729 206017261 /nfs/dbraw/zinc/01/72/61/206017261.db2.gz NNFBFIKUHVCKFA-JTQLQIEISA-N 2 0 244.383 0.659 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000418388712 206017334 /nfs/dbraw/zinc/01/73/34/206017334.db2.gz NLJFTQBBKVAHQT-DCAQKATOSA-N 2 0 242.367 0.234 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000418389585 206017357 /nfs/dbraw/zinc/01/73/57/206017357.db2.gz UBDTZVWGLRXCGA-HBNTYKKESA-N 2 0 240.351 0.165 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000424129666 206032554 /nfs/dbraw/zinc/03/25/54/206032554.db2.gz GJVGWLNDALQWTP-QCNOEVLYSA-N 2 0 239.363 0.713 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000373862151 182293809 /nfs/dbraw/zinc/29/38/09/182293809.db2.gz FXJDUWAUHZNXEO-NQBHXWOUSA-N 2 0 237.347 0.244 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCCCC[NH2+]1 ZINC000372439720 182293939 /nfs/dbraw/zinc/29/39/39/182293939.db2.gz NKKOPVVXOBDSMM-GHMZBOCLSA-N 2 0 225.336 0.387 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC[NH2+]C1 ZINC000062113638 182303095 /nfs/dbraw/zinc/30/30/95/182303095.db2.gz YICSXTPPLUNQRY-UTUOFQBUSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000044726737 182303117 /nfs/dbraw/zinc/30/31/17/182303117.db2.gz VGGFKDOFYXBXAQ-PWSUYJOCSA-N 2 0 237.347 0.481 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000247065477 182303968 /nfs/dbraw/zinc/30/39/68/182303968.db2.gz VIVQDQFKJQIKRK-KKOKHZNYSA-N 2 0 237.347 0.385 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000251425215 182304674 /nfs/dbraw/zinc/30/46/74/182304674.db2.gz STCNJOBUEJXWHN-TUAOUCFPSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)NCC[C@@H](C)[NH3+])CC1 ZINC000429020700 206061355 /nfs/dbraw/zinc/06/13/55/206061355.db2.gz NTSYMKBGSBEHJF-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000373862152 182329120 /nfs/dbraw/zinc/32/91/20/182329120.db2.gz FXJDUWAUHZNXEO-NTZNESFSSA-N 2 0 237.347 0.244 20 0 BCADRP CC[N@H+](CC(=O)NC(C)(C)C[NH+](C)C)C1CC1 ZINC000457208861 206120810 /nfs/dbraw/zinc/12/08/10/206120810.db2.gz OKQVRLGBIWUQAT-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H](C)C[NH2+]C ZINC000166639712 206141041 /nfs/dbraw/zinc/14/10/41/206141041.db2.gz BQXPUPNMWWLLJQ-LLVKDONJSA-N 2 0 229.368 0.690 20 0 BCADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000367371852 182392520 /nfs/dbraw/zinc/39/25/20/182392520.db2.gz OAPOIFNGWYIABF-LBPRGKRZSA-N 2 0 246.314 0.418 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000521986151 259581209 /nfs/dbraw/zinc/58/12/09/259581209.db2.gz HNRLBUGCMKLGST-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP O[C@H](C[NH2+]C1CCC(O)CC1)C[NH+]1CCCC1 ZINC000353494440 183027934 /nfs/dbraw/zinc/02/79/34/183027934.db2.gz CPLSNPFUYAEFSL-WXRRBKDZSA-N 2 0 242.363 0.336 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360815667 169006067 /nfs/dbraw/zinc/00/60/67/169006067.db2.gz DSKRARZLMGAGKN-WCQYABFASA-N 2 0 239.363 0.716 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000353383232 169068697 /nfs/dbraw/zinc/06/86/97/169068697.db2.gz IVVGOGWKCZXQPM-RYUDHWBXSA-N 2 0 239.363 0.396 20 0 BCADRP CCC[N@H+](C)CC(=O)NC(C)(C)C[NH3+] ZINC000336658141 169070295 /nfs/dbraw/zinc/07/02/95/169070295.db2.gz INWOZIXGKMOGFM-UHFFFAOYSA-N 2 0 201.314 0.182 20 0 BCADRP O[C@@H]1CC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]12 ZINC000228125890 183203338 /nfs/dbraw/zinc/20/33/38/183203338.db2.gz QYUWWSZHDZZYIO-JHJVBQTASA-N 2 0 224.348 0.689 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357290723 169073966 /nfs/dbraw/zinc/07/39/66/169073966.db2.gz DIDGNZGUYHMXLM-NQBHXWOUSA-N 2 0 241.379 0.831 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CC[NH3+] ZINC000336684557 169074309 /nfs/dbraw/zinc/07/43/09/169074309.db2.gz SUDHFCSLBZKAEY-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000359253594 169076267 /nfs/dbraw/zinc/07/62/67/169076267.db2.gz RVHMMTSUUNQXGE-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C[NH3+])C1 ZINC000357234623 169077332 /nfs/dbraw/zinc/07/73/32/169077332.db2.gz CCOAGLCFBMBQAR-VXGBXAGGSA-N 2 0 241.379 0.772 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)NC)C1 ZINC000357925962 169077504 /nfs/dbraw/zinc/07/75/04/169077504.db2.gz CYLNAQHLJBZKMD-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000353383229 169067152 /nfs/dbraw/zinc/06/71/52/169067152.db2.gz IVVGOGWKCZXQPM-NEPJUHHUSA-N 2 0 239.363 0.396 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(CCOCC[NH3+])C1 ZINC000357066797 169079545 /nfs/dbraw/zinc/07/95/45/169079545.db2.gz CGVCRFJPBKITJT-ZDUSSCGKSA-N 2 0 243.395 0.625 20 0 BCADRP CCC[NH+]1CCC(NC(=O)C[NH2+]C)CC1 ZINC000040829688 169188199 /nfs/dbraw/zinc/18/81/99/169188199.db2.gz ONEZRSRJASPWPR-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC)CC1 ZINC000040829712 169188755 /nfs/dbraw/zinc/18/87/55/169188755.db2.gz LSQZBNNFHJWQEG-NSHDSACASA-N 2 0 227.352 0.714 20 0 BCADRP CCC[NH+]1CCC([NH2+][C@@H](CO)CCOC)CC1 ZINC000305937625 169189884 /nfs/dbraw/zinc/18/98/84/169189884.db2.gz QKPNDHBXBCCEIM-CYBMUJFWSA-N 2 0 244.379 0.848 20 0 BCADRP CCC[N@@H+]1CCCN(C(=O)CC[NH2+]C)CC1 ZINC000367650109 169193284 /nfs/dbraw/zinc/19/32/84/169193284.db2.gz CATXLAVWBJOPBV-UHFFFAOYSA-N 2 0 227.352 0.540 20 0 BCADRP c1c[nH]c([C@@H]2CCC[N@@H+](CCn3cncn3)C2)n1 ZINC000267414262 183326616 /nfs/dbraw/zinc/32/66/16/183326616.db2.gz IWGQPCPKABPNSW-LLVKDONJSA-N 2 0 246.318 0.881 20 0 BCADRP CCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000366322557 169193917 /nfs/dbraw/zinc/19/39/17/169193917.db2.gz JJQLLBMCMZEPKR-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508163 169194836 /nfs/dbraw/zinc/19/48/36/169194836.db2.gz OSKSWZHBPYCDCM-LLVKDONJSA-N 2 0 225.336 0.293 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000236765585 169197976 /nfs/dbraw/zinc/19/79/76/169197976.db2.gz QHJDCFCQQPSESD-MNOVXSKESA-N 2 0 225.336 0.420 20 0 BCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125341544 169223733 /nfs/dbraw/zinc/22/37/33/169223733.db2.gz SOHSSUSWUBRXNG-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP CCCNC(=O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000036780834 169227256 /nfs/dbraw/zinc/22/72/56/169227256.db2.gz BOAIAQZIPTYQLO-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)NC)C1 ZINC000353651015 169206299 /nfs/dbraw/zinc/20/62/99/169206299.db2.gz YEBJHPPRVQWTDQ-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)NC)C1 ZINC000353651017 169206771 /nfs/dbraw/zinc/20/67/71/169206771.db2.gz YEBJHPPRVQWTDQ-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CCCNC(=O)CC[NH2+]C1CC[NH+](CC)CC1 ZINC000045071685 169216998 /nfs/dbraw/zinc/21/69/98/169216998.db2.gz BFZYOSMRZODCAQ-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP CCCNC(=O)C[NH+]1CCC(C[NH2+]CC)CC1 ZINC000113656059 169221334 /nfs/dbraw/zinc/22/13/34/169221334.db2.gz FXAMTUQQMVSZEQ-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP CCC[NH2+]CCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000370401321 169258110 /nfs/dbraw/zinc/25/81/10/169258110.db2.gz WHJBHZATXRNXCM-GFCCVEGCSA-N 2 0 241.379 0.882 20 0 BCADRP CCCNC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514398 169240817 /nfs/dbraw/zinc/24/08/17/169240817.db2.gz JGZXEGCDBPWCOO-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000178870864 134315958 /nfs/dbraw/zinc/31/59/58/134315958.db2.gz SBLMRGFNYCCZSL-CABZTGNLSA-N 2 0 243.326 0.274 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000309509971 169389846 /nfs/dbraw/zinc/38/98/46/169389846.db2.gz XACXLMJKTUDZLD-NXEZZACHSA-N 2 0 213.325 0.372 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000309474382 169391008 /nfs/dbraw/zinc/39/10/08/169391008.db2.gz RPMIYGFLTCBJOD-NXEZZACHSA-N 2 0 213.325 0.372 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCCC[NH+](C)C ZINC000037481262 169450985 /nfs/dbraw/zinc/45/09/85/169450985.db2.gz QDVJUMFKMIOKBN-LLVKDONJSA-N 2 0 215.341 0.572 20 0 BCADRP COC[C@H](CCO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000223975321 134344269 /nfs/dbraw/zinc/34/42/69/134344269.db2.gz WLADLCYXLZKXQM-ZDUSSCGKSA-N 2 0 244.379 0.846 20 0 BCADRP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226877400 134371386 /nfs/dbraw/zinc/37/13/86/134371386.db2.gz JLIZYVNVYCTDJS-AXFHLTTASA-N 2 0 200.326 0.830 20 0 BCADRP C[C@H](CC(=O)NCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000087973454 383823949 /nfs/dbraw/zinc/82/39/49/383823949.db2.gz LVFBSQAHJYUEOX-GHMZBOCLSA-N 2 0 227.352 0.477 20 0 BCADRP CC[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000648124674 383845828 /nfs/dbraw/zinc/84/58/28/383845828.db2.gz AVBJOUZARDYZMP-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000648124825 383849693 /nfs/dbraw/zinc/84/96/93/383849693.db2.gz CXLAJNZRLBVHID-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)C1CC[NH2+]CC1 ZINC000309379126 383863805 /nfs/dbraw/zinc/86/38/05/383863805.db2.gz DCJMPZRTGZJNKV-RKDXNWHRSA-N 2 0 213.325 0.180 20 0 BCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CC[NH3+] ZINC000237078201 383864322 /nfs/dbraw/zinc/86/43/22/383864322.db2.gz GSQCLZYJQMNTAJ-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000037824278 383865463 /nfs/dbraw/zinc/86/54/63/383865463.db2.gz ZFJVESJGNFMFFK-RYUDHWBXSA-N 2 0 239.363 0.811 20 0 BCADRP CC(C)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1=O ZINC000565903224 383918368 /nfs/dbraw/zinc/91/83/68/383918368.db2.gz FXIVCXIOIQWLDF-UTUOFQBUSA-N 2 0 239.363 0.855 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)CCC[NH3+])C1CC1 ZINC000237135366 383924955 /nfs/dbraw/zinc/92/49/55/383924955.db2.gz QMRBSRBVCMWWDH-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP COC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)OC ZINC000227712948 134385064 /nfs/dbraw/zinc/38/50/64/134385064.db2.gz LWSFPRUUYGJDQF-XQQFMLRXSA-N 2 0 242.363 0.864 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000569364965 383932891 /nfs/dbraw/zinc/93/28/91/383932891.db2.gz FPMZZUAVXFXSBS-XKNYDFJKSA-N 2 0 213.325 0.226 20 0 BCADRP [NH3+]C[C@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000049314765 383892147 /nfs/dbraw/zinc/89/21/47/383892147.db2.gz GAURMRGQZPZJNU-LLVKDONJSA-N 2 0 208.309 0.554 20 0 BCADRP CC[C@@](C)(C[NH3+])c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000569361474 383894991 /nfs/dbraw/zinc/89/49/91/383894991.db2.gz BRWWWUSJBMJUFM-KCJUWKMLSA-N 2 0 226.324 0.846 20 0 BCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000237113939 383897346 /nfs/dbraw/zinc/89/73/46/383897346.db2.gz TYMDMHIQMPNLHA-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000569364964 383934045 /nfs/dbraw/zinc/93/40/45/383934045.db2.gz FPMZZUAVXFXSBS-QEYWKRMJSA-N 2 0 213.325 0.226 20 0 BCADRP CC[C@@H]1CN(C(=O)C2([NH3+])CCCC2)CC[C@H]1[NH3+] ZINC000648126044 383984234 /nfs/dbraw/zinc/98/42/34/383984234.db2.gz YURHIDVJXIUHCR-GHMZBOCLSA-N 2 0 239.363 0.844 20 0 BCADRP CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N)CC[C@@H]1[NH3+] ZINC000648126840 383992599 /nfs/dbraw/zinc/99/25/99/383992599.db2.gz WTQYCYWDLXMYAE-KOLCDFICSA-N 2 0 248.330 0.694 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH2+]CC2)CC[N@@H+]1C ZINC000648127067 383999554 /nfs/dbraw/zinc/99/95/54/383999554.db2.gz ADORDGBZOTZDRG-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)C1CC1 ZINC000237148297 383942517 /nfs/dbraw/zinc/94/25/17/383942517.db2.gz YOCZHMZIYAIVPI-QWRGUYRKSA-N 2 0 225.336 0.052 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000335797507 383960981 /nfs/dbraw/zinc/96/09/81/383960981.db2.gz LKQXJBBHAKATDM-BDAKNGLRSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000449358965 383971411 /nfs/dbraw/zinc/97/14/11/383971411.db2.gz HAMNSEAXTZXZCW-CABZTGNLSA-N 2 0 237.347 0.480 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C[NH3+])C1 ZINC000357237282 383971631 /nfs/dbraw/zinc/97/16/31/383971631.db2.gz FLJVPDBLBPMSSG-QWRGUYRKSA-N 2 0 227.352 0.381 20 0 BCADRP Cc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc[nH+]1 ZINC000518564853 384016342 /nfs/dbraw/zinc/01/63/42/384016342.db2.gz YKQMKEPDYPSEEP-NEPJUHHUSA-N 2 0 246.314 0.138 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]CCC[NH+]1CCCCC1 ZINC000309398859 384020761 /nfs/dbraw/zinc/02/07/61/384020761.db2.gz GZZQICKWKLXBJV-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP Cc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc[nH+]1 ZINC000518564855 384015314 /nfs/dbraw/zinc/01/53/14/384015314.db2.gz YKQMKEPDYPSEEP-RYUDHWBXSA-N 2 0 246.314 0.138 20 0 BCADRP F[C@]1(c2nc([C@@H]3CCC[NH2+]3)no2)CC[NH2+]C1 ZINC000647156671 384043560 /nfs/dbraw/zinc/04/35/60/384043560.db2.gz KZNDPGDKFOOELL-OIBJUYFYSA-N 2 0 226.255 0.652 20 0 BCADRP [NH3+]C1(Cc2nc([C@H]3CCC[NH2+]3)no2)CCC1 ZINC000647156974 384041171 /nfs/dbraw/zinc/04/11/71/384041171.db2.gz YSRZOKDXKPCSOA-MRVPVSSYSA-N 2 0 222.292 0.918 20 0 BCADRP C[C@@]1(c2nc([C@H]3CCC[NH2+]3)no2)CC[NH2+]C1 ZINC000647156991 384041716 /nfs/dbraw/zinc/04/17/16/384041716.db2.gz ZIIIHBGBDUQWFI-LDYMZIIASA-N 2 0 222.292 0.745 20 0 BCADRP C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)OCC1CCC1 ZINC000642680545 384042028 /nfs/dbraw/zinc/04/20/28/384042028.db2.gz WUXVNEPWJTWPHB-STQMWFEESA-N 2 0 224.348 0.954 20 0 BCADRP CO[C@H](C[NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000647158805 384083908 /nfs/dbraw/zinc/08/39/08/384083908.db2.gz HRCPZZQHJWABPM-SNVBAGLBSA-N 2 0 248.286 0.842 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648130269 384088688 /nfs/dbraw/zinc/08/86/88/384088688.db2.gz VZGBZOHBFQGNHY-WYUUTHIRSA-N 2 0 237.347 0.039 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000648127715 384054276 /nfs/dbraw/zinc/05/42/76/384054276.db2.gz PYPDCSBSZZJAFJ-AXFHLTTASA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)C[C@H]2CC[NH2+]C2)[C@H]1C ZINC000648127717 384054329 /nfs/dbraw/zinc/05/43/29/384054329.db2.gz PYPDCSBSZZJAFJ-GARJFASQSA-N 2 0 225.336 0.195 20 0 BCADRP CN(C[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000309652733 384058170 /nfs/dbraw/zinc/05/81/70/384058170.db2.gz UFEHCCWATXODFT-LLVKDONJSA-N 3 0 211.353 0.670 20 0 BCADRP CC[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000077304753 384064554 /nfs/dbraw/zinc/06/45/54/384064554.db2.gz NJOQADPZXQXZSN-NEPJUHHUSA-N 2 0 211.353 0.764 20 0 BCADRP C[NH2+]Cc1ccc(NC(=O)CC[NH3+])cc1 ZINC000569487365 384112349 /nfs/dbraw/zinc/11/23/49/384112349.db2.gz CVIJAUGCWIQTLX-UHFFFAOYSA-N 2 0 207.277 0.693 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648136946 384158213 /nfs/dbraw/zinc/15/82/13/384158213.db2.gz PAZOKJWZFPZMQB-NNYUYHANSA-N 2 0 237.347 0.182 20 0 BCADRP Cn1ccnc1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000070854711 384139653 /nfs/dbraw/zinc/13/96/53/384139653.db2.gz UDTMDDYSCJARDV-SECBINFHSA-N 2 0 224.308 0.410 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1nccn1C ZINC000070854713 384139692 /nfs/dbraw/zinc/13/96/92/384139692.db2.gz NBMIYEAWKCJFRS-SCZZXKLOSA-N 2 0 224.308 0.410 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000648141621 384171914 /nfs/dbraw/zinc/17/19/14/384171914.db2.gz YMRQKKQCXMBWJQ-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP [NH3+]CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000648142302 384174484 /nfs/dbraw/zinc/17/44/84/384174484.db2.gz MZSQRLOJXSPCGP-GHMZBOCLSA-N 2 0 225.336 0.183 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648142470 384174561 /nfs/dbraw/zinc/17/45/61/384174561.db2.gz SEWYJRSBVLASKC-MYJAWHEDSA-N 2 0 225.336 0.086 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000648140087 384166506 /nfs/dbraw/zinc/16/65/06/384166506.db2.gz CALWGBBYEIMDFD-SNVBAGLBSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648139939 384169669 /nfs/dbraw/zinc/16/96/69/384169669.db2.gz RMFMSVKFZWIDLZ-DBIOUOCHSA-N 2 0 225.336 0.371 20 0 BCADRP COC[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000081066079 384180273 /nfs/dbraw/zinc/18/02/73/384180273.db2.gz ZJHUSIJOSNJRDT-LBPRGKRZSA-N 2 0 212.337 0.954 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000237446605 384202432 /nfs/dbraw/zinc/20/24/32/384202432.db2.gz VTSVXOYJYLPBED-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CC[NH+]2CCC1CC2 ZINC000648153790 384203103 /nfs/dbraw/zinc/20/31/03/384203103.db2.gz PAMSJFXKCHNSQM-UHFFFAOYSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000566214449 384230382 /nfs/dbraw/zinc/23/03/82/384230382.db2.gz RMTJZEFNUMVXEC-IUCAKERBSA-N 2 0 221.304 0.611 20 0 BCADRP Cc1cnn(CC[N@H+](C)CCOCC[NH3+])c1 ZINC000304380160 384238123 /nfs/dbraw/zinc/23/81/23/384238123.db2.gz KONKLTIQADTDDJ-UHFFFAOYSA-N 2 0 226.324 0.099 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000237453537 384209152 /nfs/dbraw/zinc/20/91/52/384209152.db2.gz JTUWOJJYFBVXQM-VXGBXAGGSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CCC[NH2+]C1 ZINC000237504454 384246871 /nfs/dbraw/zinc/24/68/71/384246871.db2.gz PJKXDISRRHFWAQ-ZYHUDNBSSA-N 2 0 225.336 0.230 20 0 BCADRP Cn1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cn1 ZINC000069626449 384247811 /nfs/dbraw/zinc/24/78/11/384247811.db2.gz ZYQICTMNKOMLDY-LLVKDONJSA-N 2 0 222.336 0.981 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)CCC(C)(C)[NH3+] ZINC000648144334 384247903 /nfs/dbraw/zinc/24/79/03/384247903.db2.gz ICSQPHMHTYETTD-SECBINFHSA-N 2 0 215.341 0.748 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)C1([NH3+])CCCCC1 ZINC000648144398 384249115 /nfs/dbraw/zinc/24/91/15/384249115.db2.gz YDDYEGKIDXYTTI-JTQLQIEISA-N 2 0 227.352 0.892 20 0 BCADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000228470908 384254253 /nfs/dbraw/zinc/25/42/53/384254253.db2.gz DOQZBQIDZFEGDS-YNEHKIRRSA-N 2 0 234.347 0.979 20 0 BCADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NC1CC1 ZINC000335395884 384257029 /nfs/dbraw/zinc/25/70/29/384257029.db2.gz MLRFXKLPPVHHHR-PHIMTYICSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000178658958 384258069 /nfs/dbraw/zinc/25/80/69/384258069.db2.gz RYUBZJSUGMRYIX-SDDRHHMPSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648144486 384265975 /nfs/dbraw/zinc/26/59/75/384265975.db2.gz DRKWJRBDTNJWBI-RKDXNWHRSA-N 2 0 249.305 0.475 20 0 BCADRP C[C@@H](CN1CCOCC1)[NH+]1CCC([NH3+])CC1 ZINC000564988116 384322255 /nfs/dbraw/zinc/32/22/55/384322255.db2.gz KIOPSVBZSMOYDR-NSHDSACASA-N 2 0 227.352 0.130 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000168753064 384310753 /nfs/dbraw/zinc/31/07/53/384310753.db2.gz AJAIETYPBASZIS-NEPJUHHUSA-N 2 0 249.358 0.970 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000647507241 384313296 /nfs/dbraw/zinc/31/32/96/384313296.db2.gz MHKVOUOOVQLBRA-CMPLNLGQSA-N 2 0 227.352 0.034 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)C[NH3+] ZINC000083343678 384290705 /nfs/dbraw/zinc/29/07/05/384290705.db2.gz AKYZEYMBUQJNFD-UHFFFAOYSA-N 2 0 201.314 0.183 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CN(CC[NH2+]C(C)(C)C)CCO1 ZINC000647506494 384295133 /nfs/dbraw/zinc/29/51/33/384295133.db2.gz JXQYYAAYGPTWTI-MNOVXSKESA-N 2 0 229.368 0.423 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647506516 384295714 /nfs/dbraw/zinc/29/57/14/384295714.db2.gz MJLVHAGLJSWUBE-GRYCIOLGSA-N 2 0 229.368 0.408 20 0 BCADRP C[N@H+](CCCn1ccnc1)CCOCCO ZINC000119743435 384299988 /nfs/dbraw/zinc/29/99/88/384299988.db2.gz SGZDINWQLRSNKZ-UHFFFAOYSA-N 2 0 227.308 0.214 20 0 BCADRP C[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[C@H](C)[NH3+] ZINC000248485043 384336435 /nfs/dbraw/zinc/33/64/35/384336435.db2.gz KKFZBKHDHSBDCG-WOPDTQHZSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])C[NH+]1CCCC1 ZINC000248498789 384340509 /nfs/dbraw/zinc/34/05/09/384340509.db2.gz RUWQISKFJFAMHQ-UTUOFQBUSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]CCC(=O)N1CCNC[C@@H]1c1ccncc1 ZINC000564993120 384362877 /nfs/dbraw/zinc/36/28/77/384362877.db2.gz XYGPVJVPESPTLB-GFCCVEGCSA-N 2 0 248.330 0.164 20 0 BCADRP C[C@@]1(CN2CCC[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000335603759 384374938 /nfs/dbraw/zinc/37/49/38/384374938.db2.gz USIVHMHXAXOQEG-VXGBXAGGSA-N 2 0 211.353 0.657 20 0 BCADRP C[N@@H+](Cc1cccc(N)c1)C[C@H](O)C[NH3+] ZINC000564988700 384328141 /nfs/dbraw/zinc/32/81/41/384328141.db2.gz OGJGJXQSIODUEU-LLVKDONJSA-N 2 0 209.293 0.020 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)c1ccc(C[NH3+])o1 ZINC000648179417 384334222 /nfs/dbraw/zinc/33/42/22/384334222.db2.gz UBZQJRLCJSJQGJ-UHFFFAOYSA-N 2 0 225.292 0.596 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169030937 384393500 /nfs/dbraw/zinc/39/35/00/384393500.db2.gz VTBDKBMVOKAFRD-GUBZILKMSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C(C)(C)C ZINC000516861287 384410990 /nfs/dbraw/zinc/41/09/90/384410990.db2.gz KUVQJKJRVRNATR-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@]1(C(N)=O)CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000235742037 384413744 /nfs/dbraw/zinc/41/37/44/384413744.db2.gz OEKKUUMFGWNBMJ-PWSUYJOCSA-N 2 0 225.336 0.183 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000237894300 384422022 /nfs/dbraw/zinc/42/20/22/384422022.db2.gz DXYPPPXONOWGSV-NEPJUHHUSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H](CO)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084217079 384377429 /nfs/dbraw/zinc/37/74/29/384377429.db2.gz HABDTNKAVPPOEF-HBNTYKKESA-N 2 0 200.326 0.722 20 0 BCADRP Cn1cncc1CC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405481088 384379125 /nfs/dbraw/zinc/37/91/25/384379125.db2.gz NBVUVACIIJHTDN-MNOVXSKESA-N 2 0 222.336 0.678 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169032786 384389219 /nfs/dbraw/zinc/38/92/19/384389219.db2.gz NOBNJLNNGAMAKA-VWYCJHECSA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648145773 384449873 /nfs/dbraw/zinc/44/98/73/384449873.db2.gz FSJZUPLTVASCPC-HTQZYQBOSA-N 2 0 235.278 0.085 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648145774 384450976 /nfs/dbraw/zinc/45/09/76/384450976.db2.gz FSJZUPLTVASCPC-JGVFFNPUSA-N 2 0 235.278 0.085 20 0 BCADRP Cc1ccc(C[N@H+](C)CCOCC[NH3+])cn1 ZINC000405615317 384454686 /nfs/dbraw/zinc/45/46/86/384454686.db2.gz IAAMPQVRGNKIHG-UHFFFAOYSA-N 2 0 223.320 0.797 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000237920032 384430400 /nfs/dbraw/zinc/43/04/00/384430400.db2.gz NYMWPVVPDALXSL-HBNTYKKESA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000648144979 384438540 /nfs/dbraw/zinc/43/85/40/384438540.db2.gz TVOQCAJEOREWKB-ZJUUUORDSA-N 2 0 247.342 0.335 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000036871589 384462104 /nfs/dbraw/zinc/46/21/04/384462104.db2.gz RQMPAHMTNNRZKN-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000648180288 384463148 /nfs/dbraw/zinc/46/31/48/384463148.db2.gz QKTRFFXPMJNDOV-BBBLOLIVSA-N 2 0 225.336 0.371 20 0 BCADRP C[NH+](C)[C@@H]1CCCN([C@H]2COC[C@@H]2O)CC1 ZINC000361395402 384466657 /nfs/dbraw/zinc/46/66/57/384466657.db2.gz NVWJUFGCALOZQQ-WOPDTQHZSA-N 2 0 228.336 0.162 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180392 384468148 /nfs/dbraw/zinc/46/81/48/384468148.db2.gz AKYPHWZYPCQZJX-IUCAKERBSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180390 384468390 /nfs/dbraw/zinc/46/83/90/384468390.db2.gz AKYPHWZYPCQZJX-BDAKNGLRSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000565005395 384472795 /nfs/dbraw/zinc/47/27/95/384472795.db2.gz SLQFJMQDODNWJB-UMNHJUIQSA-N 2 0 235.331 0.928 20 0 BCADRP CC(C)C[C@H](CNC(=O)C1([NH3+])CCC1)[NH+](C)C ZINC000148107071 384459320 /nfs/dbraw/zinc/45/93/20/384459320.db2.gz QTKZWVUGRWCOBK-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP CN(C(=O)[C@@H]1[NH2+]CC1(C)C)[C@H](C[NH3+])C1CC1 ZINC000648176634 384500797 /nfs/dbraw/zinc/50/07/97/384500797.db2.gz FMHVYJMKAVWIOD-ZJUUUORDSA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)C[C@@H](CNC(=O)C[NH3+])[NH+](C)C ZINC000040831249 384502467 /nfs/dbraw/zinc/50/24/67/384502467.db2.gz QIAUUQLQQLFWSS-VIFPVBQESA-N 2 0 201.314 0.038 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)CN1CC(C)(C)C1 ZINC000561109316 384502726 /nfs/dbraw/zinc/50/27/26/384502726.db2.gz IJRNVCWZMOFYIX-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP COCCOCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400464264 533068253 /nfs/dbraw/zinc/06/82/53/533068253.db2.gz SLLQXJQSXFLEOJ-NEPJUHHUSA-N 2 0 230.352 0.770 20 0 BCADRP CC(C)C[C@H](CNC(=O)CC[NH3+])[NH+](C)C ZINC000040831262 384507846 /nfs/dbraw/zinc/50/78/46/384507846.db2.gz UYNDSYGJDPOVRD-SNVBAGLBSA-N 2 0 215.341 0.428 20 0 BCADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000648146603 384489818 /nfs/dbraw/zinc/48/98/18/384489818.db2.gz PWMKPDISXFGQAB-ITGUQSILSA-N 2 0 245.326 0.810 20 0 BCADRP C[NH+](C)C[C@H]1CC[N@H+](CCn2ccnc2)C1 ZINC000161854212 384534258 /nfs/dbraw/zinc/53/42/58/384534258.db2.gz ISZYSOWMFFIVMH-GFCCVEGCSA-N 2 0 222.336 0.767 20 0 BCADRP C[N@H+](CCNC(=O)C1([NH3+])CCC1)C1CCCC1 ZINC000148279832 384534861 /nfs/dbraw/zinc/53/48/61/384534861.db2.gz QNCUCFFVWYGUNH-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP CCNC(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397343497 384533609 /nfs/dbraw/zinc/53/36/09/384533609.db2.gz WVNGFJPWJUQAJQ-MXWKQRLJSA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000561183260 384545448 /nfs/dbraw/zinc/54/54/48/384545448.db2.gz WUUWGSDQTPOSHZ-YPMHNXCESA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N(C)[C@H]2CC[NH2+]C2)C1 ZINC000561182741 384547746 /nfs/dbraw/zinc/54/77/46/384547746.db2.gz OOXYMJABYVCVGS-VWYCJHECSA-N 2 0 225.336 0.195 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000449083082 384547690 /nfs/dbraw/zinc/54/76/90/384547690.db2.gz ALDBCGSSZPHOCF-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000647522917 384548171 /nfs/dbraw/zinc/54/81/71/384548171.db2.gz WLRKTRDABJKIEZ-RYUDHWBXSA-N 2 0 230.352 0.194 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@H]1CCC[NH2+]1 ZINC000648177332 384548228 /nfs/dbraw/zinc/54/82/28/384548228.db2.gz SYFQDKRXVYZDNK-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000647522918 384548438 /nfs/dbraw/zinc/54/84/38/384548438.db2.gz WLRKTRDABJKIEZ-VXGBXAGGSA-N 2 0 230.352 0.194 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1(C[NH3+])CCC1 ZINC000561195180 384558257 /nfs/dbraw/zinc/55/82/57/384558257.db2.gz BGYUYOIHEQDHHZ-UWVGGRQHSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@H](C)[C@@H](O)C[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000647523847 384560048 /nfs/dbraw/zinc/56/00/48/384560048.db2.gz MXDURJFMMJJZIK-DRZSPHRISA-N 2 0 244.379 0.438 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H](C[NH3+])C(C)(C)C)CC[N@@H+]1C ZINC000648177126 384539901 /nfs/dbraw/zinc/53/99/01/384539901.db2.gz JOCBWCMOFWNNDV-GMTAPVOTSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000309737972 384569776 /nfs/dbraw/zinc/56/97/76/384569776.db2.gz GXHYFNFPQWRXDL-OUAUKWLOSA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000306067006 384570555 /nfs/dbraw/zinc/57/05/55/384570555.db2.gz YYWMKFXGOAGNRW-GHMZBOCLSA-N 2 0 245.367 0.197 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000236765004 384573631 /nfs/dbraw/zinc/57/36/31/384573631.db2.gz UEOJCVZVTPDXAC-QWRGUYRKSA-N 2 0 227.352 0.428 20 0 BCADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000517926052 384574206 /nfs/dbraw/zinc/57/42/06/384574206.db2.gz WPSFQRZHWHJSKE-CKYFFXLPSA-N 2 0 230.352 0.455 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000648177667 384574878 /nfs/dbraw/zinc/57/48/78/384574878.db2.gz MRGQDRUEKAQKES-JTQLQIEISA-N 2 0 243.351 0.080 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000517932972 384581543 /nfs/dbraw/zinc/58/15/43/384581543.db2.gz ZNYSJAGGTHDYAX-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP CC1CC[NH+](CC(=O)NCC2C[NH2+]C2)CC1 ZINC000646901286 384581691 /nfs/dbraw/zinc/58/16/91/384581691.db2.gz GIIRGJVZTHTUFR-UHFFFAOYSA-N 2 0 225.336 0.054 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)[NH+](C)C ZINC000635558224 384563700 /nfs/dbraw/zinc/56/37/00/384563700.db2.gz IBXDJKARJALXLI-NXEZZACHSA-N 2 0 215.341 0.393 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000568247957 384609280 /nfs/dbraw/zinc/60/92/80/384609280.db2.gz CHJRMECHJLHYBP-CHWSQXEVSA-N 3 0 240.395 0.141 20 0 BCADRP CC[NH+](CC)CC[C@H](CO)[NH2+][C@@H](C)[C@H](C)O ZINC000647530374 384609683 /nfs/dbraw/zinc/60/96/83/384609683.db2.gz AOINIOVZZQSQEU-SDDRHHMPSA-N 2 0 232.368 0.438 20 0 BCADRP COC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037859766 384618153 /nfs/dbraw/zinc/61/81/53/384618153.db2.gz AIPWWJIEPIBERG-GHMZBOCLSA-N 2 0 216.325 0.068 20 0 BCADRP C[C@@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C[NH3+] ZINC000643079577 384618496 /nfs/dbraw/zinc/61/84/96/384618496.db2.gz IQTXGGXZOXQELM-DGCLKSJQSA-N 2 0 249.358 0.802 20 0 BCADRP CCN(CCO)CC[NH2+]Cc1cccc(O)c1 ZINC000184547730 384619628 /nfs/dbraw/zinc/61/96/28/384619628.db2.gz FRBXJBOMGNISOU-UHFFFAOYSA-N 2 0 238.331 0.796 20 0 BCADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000037889555 384626949 /nfs/dbraw/zinc/62/69/49/384626949.db2.gz FMVKFIHXHOEPHD-CMPLNLGQSA-N 2 0 212.337 0.831 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000040768295 384593369 /nfs/dbraw/zinc/59/33/69/384593369.db2.gz SVTSVCGZRJTUDH-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000236837962 384593516 /nfs/dbraw/zinc/59/35/16/384593516.db2.gz GTMLFNUQUVWHDW-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP CC(C)([NH3+])CN1CC[N@H+](CCO)C(C)(C)C1 ZINC000647538106 384664307 /nfs/dbraw/zinc/66/43/07/384664307.db2.gz GAIRIQRZVCLPCN-UHFFFAOYSA-N 2 0 229.368 0.112 20 0 BCADRP Cn1ccnc1CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647532786 384639036 /nfs/dbraw/zinc/63/90/36/384639036.db2.gz DGPLWJLBTDQAHT-QWRGUYRKSA-N 2 0 220.320 0.604 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000569349543 384640019 /nfs/dbraw/zinc/64/00/19/384640019.db2.gz LLZNAMVQXCSXOI-RWMBFGLXSA-N 2 0 242.363 0.899 20 0 BCADRP C[C@H]1C[C@H]1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000309820932 384641026 /nfs/dbraw/zinc/64/10/26/384641026.db2.gz WHQIOSCZBXCVMA-AAEUAGOBSA-N 2 0 226.364 0.936 20 0 BCADRP CN(C[C@]1(C)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000309492035 384654467 /nfs/dbraw/zinc/65/44/67/384654467.db2.gz IVKTVLWWZARPKI-GFCCVEGCSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@H](CC(=O)NCC1C[NH2+]C1)C1CC[NH2+]CC1 ZINC000646901556 384654463 /nfs/dbraw/zinc/65/44/63/384654463.db2.gz DVOIBFMJBFTGDZ-SNVBAGLBSA-N 2 0 239.363 0.348 20 0 BCADRP O[C@H](C[NH2+]C[C@@H](O)C1CCC1)C[NH+]1CCCC1 ZINC000316073832 384728067 /nfs/dbraw/zinc/72/80/67/384728067.db2.gz AGDRMYDVUDTJHU-CHWSQXEVSA-N 2 0 242.363 0.194 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444175828 384681094 /nfs/dbraw/zinc/68/10/94/384681094.db2.gz MFUBIUSLUBFCLG-QKCSRTOESA-N 2 0 249.358 0.339 20 0 BCADRP CO[C@]1(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CCOC1 ZINC000359427349 384726666 /nfs/dbraw/zinc/72/66/66/384726666.db2.gz PGRYPESBZFOEHF-AVGNSLFASA-N 2 0 242.363 0.722 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH2+]1)C(C)C ZINC000236863656 384690545 /nfs/dbraw/zinc/69/05/45/384690545.db2.gz GXBULPJSYAQPBV-LLVKDONJSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]1CN(CC[N@H+](C)CCC[NH3+])C[C@H](C)O1 ZINC000313912187 384711171 /nfs/dbraw/zinc/71/11/71/384711171.db2.gz WDGKJDZHKAGRLE-TXEJJXNPSA-N 2 0 229.368 0.376 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH2+]C1 ZINC000646901970 384713132 /nfs/dbraw/zinc/71/31/32/384713132.db2.gz WFMLEVHKTLCEHW-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP Cn1cncc1CCC[N@H+](C)CCOCC[NH3+] ZINC000314802417 384713705 /nfs/dbraw/zinc/71/37/05/384713705.db2.gz VYSVLZVLVZPIIZ-UHFFFAOYSA-N 3 0 240.351 0.260 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000236873279 384719336 /nfs/dbraw/zinc/71/93/36/384719336.db2.gz WWWRYYREMVSOPO-NWDGAFQWSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(Cc2nnnn2C2CC2)C1 ZINC000163232584 384775053 /nfs/dbraw/zinc/77/50/53/384775053.db2.gz TYRFRKZFKVYPGB-IUCAKERBSA-N 2 0 236.323 0.177 20 0 BCADRP CCNCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546373 384728865 /nfs/dbraw/zinc/72/88/65/384728865.db2.gz HTBKSEKWYLKKFK-QJPTWQEYSA-N 2 0 211.353 0.574 20 0 BCADRP CC(C)C[C@H](C[NH3+])N[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647546510 384729758 /nfs/dbraw/zinc/72/97/58/384729758.db2.gz NBJYKNHHJGTFKU-TUAOUCFPSA-N 2 0 213.369 0.947 20 0 BCADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546351 384730580 /nfs/dbraw/zinc/73/05/80/384730580.db2.gz HBDCNUZVEUQSTQ-QJPTWQEYSA-N 3 0 211.353 0.574 20 0 BCADRP C([NH2+]C[C@@H]1CCCCN1)C1CC[NH2+]CC1 ZINC000647546440 384731038 /nfs/dbraw/zinc/73/10/38/384731038.db2.gz KHCDHFUHAHOZIH-LBPRGKRZSA-N 2 0 211.353 0.718 20 0 BCADRP NCC(F)(F)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546936 384733011 /nfs/dbraw/zinc/73/30/11/384733011.db2.gz HSYGLADDCXFRBI-OPRDCNLKSA-N 2 0 233.306 0.558 20 0 BCADRP CCC[NH2+]CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546971 384733659 /nfs/dbraw/zinc/73/36/59/384733659.db2.gz IPRGBBRYBXFALX-FRRDWIJNSA-N 3 0 225.380 0.964 20 0 BCADRP C[C@H](CC[NH3+])[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546910 384733807 /nfs/dbraw/zinc/73/38/07/384733807.db2.gz GZTDDHPGCWPBMJ-WISYIIOYSA-N 3 0 211.353 0.701 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000647546818 384734197 /nfs/dbraw/zinc/73/41/97/384734197.db2.gz CQCLIEKUQGEONU-YFKTTZPYSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@@H]1CNC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000647546639 384734221 /nfs/dbraw/zinc/73/42/21/384734221.db2.gz TUJVLDPSDZZTQA-QJPTWQEYSA-N 2 0 211.353 0.574 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1N[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647547197 384735888 /nfs/dbraw/zinc/73/58/88/384735888.db2.gz QREQBHMVZONOLP-IRCOFANPSA-N 2 0 211.353 0.715 20 0 BCADRP [NH3+]CCCCC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648186264 384739728 /nfs/dbraw/zinc/73/97/28/384739728.db2.gz QZRPQCFKYURMRJ-LLVKDONJSA-N 2 0 239.363 0.906 20 0 BCADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647547511 384740704 /nfs/dbraw/zinc/74/07/04/384740704.db2.gz YCVCZHRHQZBOEM-WISYIIOYSA-N 3 0 211.353 0.559 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647549957 384746063 /nfs/dbraw/zinc/74/60/63/384746063.db2.gz ZANOYZYWKBYWKF-FDYHWXHSSA-N 2 0 249.362 0.644 20 0 BCADRP COC[C@H](CCO)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000300393921 384746933 /nfs/dbraw/zinc/74/69/33/384746933.db2.gz HASOKZOYZWMUNY-WOPDTQHZSA-N 2 0 230.352 0.456 20 0 BCADRP CC(C)N1CC[C@@H](N[C@H]2C[NH2+]C[C@@H](C)C2)C1=O ZINC000647549794 384747755 /nfs/dbraw/zinc/74/77/55/384747755.db2.gz RABVJVMFTKLZOL-QJPTWQEYSA-N 2 0 239.363 0.583 20 0 BCADRP COC[C@H](CCO)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000300393920 384748019 /nfs/dbraw/zinc/74/80/19/384748019.db2.gz HASOKZOYZWMUNY-UTUOFQBUSA-N 2 0 230.352 0.456 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647549959 384748119 /nfs/dbraw/zinc/74/81/19/384748119.db2.gz ZANOYZYWKBYWKF-MROQNXINSA-N 2 0 249.362 0.644 20 0 BCADRP CC(C)([NH3+])CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000647548019 384751757 /nfs/dbraw/zinc/75/17/57/384751757.db2.gz RIHFVFKMKVZUPT-JTQLQIEISA-N 2 0 211.353 0.988 20 0 BCADRP CC1(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)C[NH2+]C1 ZINC000648186730 384757313 /nfs/dbraw/zinc/75/73/13/384757313.db2.gz BHRNAKZBADNYOS-JTQLQIEISA-N 2 0 237.347 0.387 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000309509227 384762318 /nfs/dbraw/zinc/76/23/18/384762318.db2.gz WVNVYWRJNIDZGF-JQWIXIFHSA-N 2 0 211.353 0.655 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000309509228 384762342 /nfs/dbraw/zinc/76/23/42/384762342.db2.gz WVNVYWRJNIDZGF-PWSUYJOCSA-N 2 0 211.353 0.655 20 0 BCADRP C[C@H](C[NH2+][C@@H]1CCO[C@@H]1C)C[NH+](C)C ZINC000308575048 384823733 /nfs/dbraw/zinc/82/37/33/384823733.db2.gz MCWOREXRKRJMNR-GMTAPVOTSA-N 2 0 200.326 0.951 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000648202451 384825103 /nfs/dbraw/zinc/82/51/03/384825103.db2.gz SUYCHILJNJXUEM-GFCCVEGCSA-N 2 0 247.342 0.760 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NCCC[NH2+]C1CC1 ZINC000648203496 384830858 /nfs/dbraw/zinc/83/08/58/384830858.db2.gz MJDSCNIEHFEYTG-SNVBAGLBSA-N 2 0 225.336 0.243 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NCCC[NH2+]C1CC1 ZINC000648203495 384832127 /nfs/dbraw/zinc/83/21/27/384832127.db2.gz MJDSCNIEHFEYTG-JTQLQIEISA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+]CCNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449098600 384782887 /nfs/dbraw/zinc/78/28/87/384782887.db2.gz KBOWJQPMEUBMIO-AWEZNQCLSA-N 2 0 247.342 0.253 20 0 BCADRP C[NH+](C)CC1CC[NH+](CCCO)CC1 ZINC000042396066 384791312 /nfs/dbraw/zinc/79/13/12/384791312.db2.gz PPQMYXCOUUUJHC-UHFFFAOYSA-N 2 0 200.326 0.642 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc(C[NH3+])o1 ZINC000648188151 384800908 /nfs/dbraw/zinc/80/09/08/384800908.db2.gz UTHPAYXISQAZCT-HTQZYQBOSA-N 2 0 225.292 0.594 20 0 BCADRP COC(=O)CCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000126978228 384836589 /nfs/dbraw/zinc/83/65/89/384836589.db2.gz MOERWAKBVNUDOM-ZJUUUORDSA-N 2 0 214.309 0.609 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccnn1C ZINC000126776725 384804636 /nfs/dbraw/zinc/80/46/36/384804636.db2.gz LZAILBQJFMQUNY-NXEZZACHSA-N 2 0 208.309 0.589 20 0 BCADRP CCN(CCO)CC[NH2+]C[C@H]1C[C@@H]1C ZINC000308626049 384876574 /nfs/dbraw/zinc/87/65/74/384876574.db2.gz WINFHVFBQNTGQD-WDEREUQCSA-N 2 0 200.326 0.546 20 0 BCADRP CC(C)=CCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000557204696 384879655 /nfs/dbraw/zinc/87/96/55/384879655.db2.gz CUUFPDBITMAMSJ-NSHDSACASA-N 2 0 240.351 0.237 20 0 BCADRP CN(CC[N@H+](C)C1CC1)Cc1nccn1C ZINC000186776292 384880583 /nfs/dbraw/zinc/88/05/83/384880583.db2.gz PFJKEBJFHJQISM-UHFFFAOYSA-N 2 0 222.336 0.946 20 0 BCADRP Cn1cc(CN[C@@H]2CC[NH2+]CC2(C)C)cn1 ZINC000300771824 384880713 /nfs/dbraw/zinc/88/07/13/384880713.db2.gz ACGDHAGIZZKNHY-LLVKDONJSA-N 2 0 222.336 0.898 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@H]1CCC[NH2+]1 ZINC000648206263 384840184 /nfs/dbraw/zinc/84/01/84/384840184.db2.gz YBCIJLSFKWDBLZ-MNOVXSKESA-N 2 0 237.347 0.529 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648205974 384842179 /nfs/dbraw/zinc/84/21/79/384842179.db2.gz QARKMDDPLJNLDA-JTQLQIEISA-N 2 0 239.363 0.905 20 0 BCADRP C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423379339 384848433 /nfs/dbraw/zinc/84/84/33/384848433.db2.gz XEXITHFQPPIKLN-YFKTTZPYSA-N 2 0 211.353 0.986 20 0 BCADRP C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000423379332 384848439 /nfs/dbraw/zinc/84/84/39/384848439.db2.gz XEXITHFQPPIKLN-BJDJZHNGSA-N 2 0 211.353 0.986 20 0 BCADRP C[NH+](C)C[C@@H]1CN(C(=O)C[NH3+])c2ccccc2O1 ZINC000370781514 384850693 /nfs/dbraw/zinc/85/06/93/384850693.db2.gz ZGDQKLIUTUNTNY-SNVBAGLBSA-N 2 0 249.314 0.301 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648210614 384857768 /nfs/dbraw/zinc/85/77/68/384857768.db2.gz WGGSGHJSAIPBPF-WHOHXGKFSA-N 2 0 249.358 0.243 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1ncc[nH]1 ZINC000084311245 384858391 /nfs/dbraw/zinc/85/83/91/384858391.db2.gz VHZXENLFCLGPAK-RKDXNWHRSA-N 2 0 222.292 0.401 20 0 BCADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000648162447 384889055 /nfs/dbraw/zinc/88/90/55/384889055.db2.gz HPOTUBQRBBOIOE-SGMGOOAPSA-N 2 0 249.358 0.339 20 0 BCADRP CCOC(=O)N(C)C1CCN(CC[NH3+])CC1 ZINC000497204242 384868030 /nfs/dbraw/zinc/86/80/30/384868030.db2.gz WFYJZLHHYGBXFY-UHFFFAOYSA-N 2 0 229.324 0.498 20 0 BCADRP C[NH+](C)CCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055122428 384869649 /nfs/dbraw/zinc/86/96/49/384869649.db2.gz LAVCRUQQSZJKSO-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[N@H+](C[C@H](O)CN[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000644548012 384952087 /nfs/dbraw/zinc/95/20/87/384952087.db2.gz KIQWOZGGVRVEMF-WCQYABFASA-N 2 0 241.379 0.125 20 0 BCADRP CN(Cc1cccc2c1NCC2)C[C@@H](O)C[NH3+] ZINC000566230082 384957777 /nfs/dbraw/zinc/95/77/77/384957777.db2.gz GAJRURCRXCEQCG-LBPRGKRZSA-N 2 0 235.331 0.406 20 0 BCADRP CCOC(=O)N1CCCN(CCC[NH2+]C)CC1 ZINC000497226190 384891286 /nfs/dbraw/zinc/89/12/86/384891286.db2.gz JKTITDYLHLJPQX-UHFFFAOYSA-N 2 0 243.351 0.760 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000156599495 384903523 /nfs/dbraw/zinc/90/35/23/384903523.db2.gz KKFZBKHDHSBDCG-SDDRHHMPSA-N 2 0 239.363 0.666 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000187169680 384917517 /nfs/dbraw/zinc/91/75/17/384917517.db2.gz LZULERHCOCNUBR-QMMMGPOBSA-N 2 0 220.276 0.146 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000156668086 384919235 /nfs/dbraw/zinc/91/92/35/384919235.db2.gz GEHISKYCWYFVMK-GHMZBOCLSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)C1CC[NH+](C)CC1 ZINC000257711898 384925112 /nfs/dbraw/zinc/92/51/12/384925112.db2.gz QZVDVFHVLSOHDL-VIFPVBQESA-N 2 0 213.325 0.039 20 0 BCADRP CC(C)[C@@H]1CNCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000257798691 384926697 /nfs/dbraw/zinc/92/66/97/384926697.db2.gz WLMFTTYNVJCTJP-ZDUSSCGKSA-N 2 0 225.380 0.916 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCCCC1 ZINC000647610543 384936375 /nfs/dbraw/zinc/93/63/75/384936375.db2.gz XMAQLEJSFSBPJV-URLYPYJESA-N 2 0 237.347 0.230 20 0 BCADRP Cn1cc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000226151558 384936818 /nfs/dbraw/zinc/93/68/18/384936818.db2.gz AXDGHBMNLNQISN-TXEJJXNPSA-N 2 0 220.320 0.114 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCCCC1 ZINC000647610512 384939724 /nfs/dbraw/zinc/93/97/24/384939724.db2.gz VZFQZEVKXMRRNO-MXWKQRLJSA-N 2 0 237.347 0.515 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000258884564 384945020 /nfs/dbraw/zinc/94/50/20/384945020.db2.gz USJPFFFPWOYMMN-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000564947596 384973162 /nfs/dbraw/zinc/97/31/62/384973162.db2.gz QVTRPQGEXNVLJW-SRVKXCTJSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NC[C@H]([NH3+])C2CC2)o1 ZINC000646904423 384981909 /nfs/dbraw/zinc/98/19/09/384981909.db2.gz KCDSBCAHNZSDFT-VIFPVBQESA-N 2 0 223.276 0.205 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000036984205 384984366 /nfs/dbraw/zinc/98/43/66/384984366.db2.gz USCCXYUJHURWNW-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000156915963 385022164 /nfs/dbraw/zinc/02/21/64/385022164.db2.gz VZARLHDVIPQDNU-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc[nH]c1 ZINC000086253239 385000790 /nfs/dbraw/zinc/00/07/90/385000790.db2.gz WOONHYGDDIVRRM-LBPRGKRZSA-N 2 0 236.363 0.740 20 0 BCADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COC)CC1 ZINC000564847454 385003832 /nfs/dbraw/zinc/00/38/32/385003832.db2.gz NAFYHDWKIWKBLE-ZDUSSCGKSA-N 2 0 244.379 0.705 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000226399273 385007619 /nfs/dbraw/zinc/00/76/19/385007619.db2.gz ABJQLUIEUSCPPD-KOLCDFICSA-N 2 0 225.336 0.337 20 0 BCADRP CC[N@H+](CCNC(=O)C1CC[NH2+]CC1)C1CC1 ZINC000226397391 385007694 /nfs/dbraw/zinc/00/76/94/385007694.db2.gz HSZKXJWUYVRNLY-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000226398163 385007858 /nfs/dbraw/zinc/00/78/58/385007858.db2.gz SPFPNKVGJMNQIU-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H](CNC(=O)[C@]1(C)CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000226398827 385009493 /nfs/dbraw/zinc/00/94/93/385009493.db2.gz ZGOLJVGELNXKHG-ZWNOBZJWSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1C[C@H](CN2CC[NH2+]C[C@@H]2C(F)F)CC[NH2+]1 ZINC000516650338 385010371 /nfs/dbraw/zinc/01/03/71/385010371.db2.gz KJHGXPIDFSTOEI-GMTAPVOTSA-N 2 0 247.333 0.913 20 0 BCADRP O=C(C[C@@H]1CC[NH2+]C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000648148586 385010624 /nfs/dbraw/zinc/01/06/24/385010624.db2.gz PXQWUJXNACGMOL-SDDRHHMPSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)[C@@H](C)[NH3+])C[NH+]1CCCC1 ZINC000156898641 385012591 /nfs/dbraw/zinc/01/25/91/385012591.db2.gz RUWQISKFJFAMHQ-IJLUTSLNSA-N 2 0 241.379 0.818 20 0 BCADRP Cn1cc(C[NH+]2CCC(CC[NH3+])CC2)cn1 ZINC000050540139 385015830 /nfs/dbraw/zinc/01/58/30/385015830.db2.gz KFOQTKHSWMAJAR-UHFFFAOYSA-N 2 0 222.336 0.981 20 0 BCADRP C[C@@H](O)C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000644561682 384961276 /nfs/dbraw/zinc/96/12/76/384961276.db2.gz DZQDKJRUHMHPKS-NEPJUHHUSA-N 2 0 241.379 0.125 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH3+])CC2)CC[N@@H+]1C ZINC000647638891 385050784 /nfs/dbraw/zinc/05/07/84/385050784.db2.gz WNNQUQRYJJZNHF-ZYHUDNBSSA-N 2 0 239.363 0.524 20 0 BCADRP C[NH2+]CCSCCC[NH+]1CCN(C)CC1 ZINC000566184918 385058066 /nfs/dbraw/zinc/05/80/66/385058066.db2.gz SFKCVHSBVHQVKX-UHFFFAOYSA-N 2 0 231.409 0.577 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000449729487 385074738 /nfs/dbraw/zinc/07/47/38/385074738.db2.gz ZWIRIUISUWAGFX-NTZNESFSSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000646945649 385080691 /nfs/dbraw/zinc/08/06/91/385080691.db2.gz FHAFDKVENAZEIO-UWVGGRQHSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)c1ccc(C[NH3+])cc1 ZINC000646945331 385081288 /nfs/dbraw/zinc/08/12/88/385081288.db2.gz LHYCJMUAHUESNA-VIFPVBQESA-N 2 0 221.304 0.612 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)c1ccc(C[NH3+])cc1 ZINC000646945330 385081827 /nfs/dbraw/zinc/08/18/27/385081827.db2.gz LHYCJMUAHUESNA-SECBINFHSA-N 2 0 221.304 0.612 20 0 BCADRP CC[C@H](O)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000644639713 385042973 /nfs/dbraw/zinc/04/29/73/385042973.db2.gz RDUJBAVSNVKKDE-LBPRGKRZSA-N 2 0 243.395 0.373 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000310411374 385045805 /nfs/dbraw/zinc/04/58/05/385045805.db2.gz WUWOIVASYZMEOW-BDAKNGLRSA-N 2 0 249.305 0.522 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000646979415 385108525 /nfs/dbraw/zinc/10/85/25/385108525.db2.gz LGIDPYRHSCRYJY-OUAUKWLOSA-N 2 0 225.336 0.100 20 0 BCADRP [NH3+][C@H](C(=O)N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000646983848 385109126 /nfs/dbraw/zinc/10/91/26/385109126.db2.gz XDVNEJFACAHLQE-STQMWFEESA-N 2 0 247.342 0.945 20 0 BCADRP [NH3+][C@H](C(=O)N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000646983846 385109775 /nfs/dbraw/zinc/10/97/75/385109775.db2.gz XDVNEJFACAHLQE-OLZOCXBDSA-N 2 0 247.342 0.945 20 0 BCADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CC1(O)CCC1 ZINC000564857582 385113028 /nfs/dbraw/zinc/11/30/28/385113028.db2.gz VEROXIADLJKJIB-LBPRGKRZSA-N 2 0 241.379 0.127 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@H]2CCC[NH2+]CC2)ccn1 ZINC000646988361 385116823 /nfs/dbraw/zinc/11/68/23/385116823.db2.gz NLAOASRPMWEGMG-NSHDSACASA-N 2 0 248.330 0.412 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646988375 385119574 /nfs/dbraw/zinc/11/95/74/385119574.db2.gz NWKBEIKDGFDPCV-HBNTYKKESA-N 2 0 225.336 0.243 20 0 BCADRP CC1([NH3+])CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000646993080 385120995 /nfs/dbraw/zinc/12/09/95/385120995.db2.gz GSPSDPSDGZGZNC-UHFFFAOYSA-N 2 0 225.336 0.455 20 0 BCADRP O=C(CC1CC[NH2+]CC1)N[C@H]1CCC[NH2+]CC1 ZINC000646988502 385121377 /nfs/dbraw/zinc/12/13/77/385121377.db2.gz RPZSOYKFJIMSSW-LBPRGKRZSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)C1C[NH2+]C1 ZINC000164624885 385123658 /nfs/dbraw/zinc/12/36/58/385123658.db2.gz NCWAWMUEDQAAQF-JQWIXIFHSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)[NH+](C)C ZINC000061612325 385125208 /nfs/dbraw/zinc/12/52/08/385125208.db2.gz RKICKXZXDBQDNA-YPMHNXCESA-N 2 0 249.358 0.795 20 0 BCADRP CC(C)[C@@H](C(=O)N1CCC(C)([NH3+])CC1)[NH+](C)C ZINC000646990981 385125659 /nfs/dbraw/zinc/12/56/59/385125659.db2.gz JEYHFSMLOLSTFS-NSHDSACASA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000310587433 385127605 /nfs/dbraw/zinc/12/76/05/385127605.db2.gz WLSYDGADJPTHFJ-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000646998091 385129384 /nfs/dbraw/zinc/12/93/84/385129384.db2.gz LGXNFZWKTPVBJH-MMWGEVLESA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000647000776 385133636 /nfs/dbraw/zinc/13/36/36/385133636.db2.gz SNCAZYVRSRLPTJ-GRYCIOLGSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000647001840 385137747 /nfs/dbraw/zinc/13/77/47/385137747.db2.gz AVBJOUZARDYZMP-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CC1([NH3+])CCC1 ZINC000647001657 385138166 /nfs/dbraw/zinc/13/81/66/385138166.db2.gz ICVIQESZIDKVNP-UWVGGRQHSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H](C)C[NH2+]C)CC[C@@H]1[NH3+] ZINC000647015367 385139653 /nfs/dbraw/zinc/13/96/53/385139653.db2.gz OPHVTAHOXHLRNZ-AXFHLTTASA-N 2 0 227.352 0.428 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H]([NH3+])C(C)C)CC[C@@H]1[NH3+] ZINC000647015765 385140042 /nfs/dbraw/zinc/14/00/42/385140042.db2.gz ZGLUGEZKZAMJRS-OUAUKWLOSA-N 2 0 227.352 0.556 20 0 BCADRP C[C@H](C[NH3+])NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000566191576 385089260 /nfs/dbraw/zinc/08/92/60/385089260.db2.gz BEVKSFMRBCCEGC-SECBINFHSA-N 2 0 236.319 0.292 20 0 BCADRP CC1(CNC(=O)C[C@@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC000646963641 385090067 /nfs/dbraw/zinc/09/00/67/385090067.db2.gz MZJPUPWBSQGWPS-NSHDSACASA-N 2 0 239.363 0.492 20 0 BCADRP C[C@]1(CNC(=O)C[C@@H]2CC[NH2+]C2)CCC[NH2+]C1 ZINC000646965946 385091001 /nfs/dbraw/zinc/09/10/01/385091001.db2.gz GUUADSHNHPXZOL-AAEUAGOBSA-N 2 0 239.363 0.492 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC000530832000 385102672 /nfs/dbraw/zinc/10/26/72/385102672.db2.gz RYEJKSFMPHGGGY-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH2+]CC2)CC[N@@H+]1C ZINC000647674538 385182344 /nfs/dbraw/zinc/18/23/44/385182344.db2.gz JWTPRLKOQGCOQN-ZYHUDNBSSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000647051335 385186571 /nfs/dbraw/zinc/18/65/71/385186571.db2.gz QFPRCKALUFIWJN-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647051080 385187678 /nfs/dbraw/zinc/18/76/78/385187678.db2.gz VPTQDDCKNRTXBK-BSJXLVFVSA-N 2 0 239.363 0.474 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)CC1(C[NH3+])CC1 ZINC000647051712 385193003 /nfs/dbraw/zinc/19/30/03/385193003.db2.gz VHJRXDJITXQXBF-JTQLQIEISA-N 2 0 227.352 0.749 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)CC1(C[NH3+])CC1 ZINC000647051713 385193023 /nfs/dbraw/zinc/19/30/23/385193023.db2.gz VHJRXDJITXQXBF-SNVBAGLBSA-N 2 0 227.352 0.749 20 0 BCADRP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)nn1C ZINC000647482054 385195188 /nfs/dbraw/zinc/19/51/88/385195188.db2.gz GJEYGERFVSAOOB-UHFFFAOYSA-N 2 0 222.336 0.899 20 0 BCADRP [NH3+][C@@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)C1CCC1 ZINC000647056272 385197988 /nfs/dbraw/zinc/19/79/88/385197988.db2.gz YOIIVJCVFVNNCH-GHMZBOCLSA-N 2 0 237.347 0.372 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647057947 385199736 /nfs/dbraw/zinc/19/97/36/385199736.db2.gz DCIOSQMSNXEZLB-GARJFASQSA-N 2 0 243.326 0.287 20 0 BCADRP [NH3+]C[C@@H]1CCCN1C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449131695 385199984 /nfs/dbraw/zinc/19/99/84/385199984.db2.gz OXDHHHBVXOGLFW-GRYCIOLGSA-N 2 0 239.363 0.844 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647011698 385146717 /nfs/dbraw/zinc/14/67/17/385146717.db2.gz JAFHMLUIZREBNJ-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000647054926 385200017 /nfs/dbraw/zinc/20/00/17/385200017.db2.gz CUYMINXLVRNXMH-WDMOLILDSA-N 2 0 249.358 0.244 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647054997 385200319 /nfs/dbraw/zinc/20/03/19/385200319.db2.gz HFBMWGACVKOFMS-VHSXEESVSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000647022785 385155405 /nfs/dbraw/zinc/15/54/05/385155405.db2.gz GFEGIYQBZKCYTO-AXFHLTTASA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647023017 385155551 /nfs/dbraw/zinc/15/55/51/385155551.db2.gz LSIVAXMIUNQUSD-INTQDDNPSA-N 2 0 225.336 0.086 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058099 385200644 /nfs/dbraw/zinc/20/06/44/385200644.db2.gz MOORLUDSMBFXSP-XWLWVQCSSA-N 2 0 243.326 0.191 20 0 BCADRP [NH3+][C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)C[C@H]1c1ccccc1 ZINC000647029769 385163161 /nfs/dbraw/zinc/16/31/61/385163161.db2.gz ZZTWXGZMWKNYFJ-YNEHKIRRSA-N 2 0 245.326 0.302 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CCCC[NH3+] ZINC000647036170 385173279 /nfs/dbraw/zinc/17/32/79/385173279.db2.gz VXXWXUPYUZVPIW-UWVGGRQHSA-N 2 0 231.315 0.274 20 0 BCADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)[NH3+] ZINC000157401410 385174849 /nfs/dbraw/zinc/17/48/49/385174849.db2.gz GSPXXSMGUOXOFC-OUAUKWLOSA-N 2 0 225.336 0.419 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647054983 385201305 /nfs/dbraw/zinc/20/13/05/385201305.db2.gz GJDRWVLPSGDTCH-NXEZZACHSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N(C2CC2)C2CC[NH2+]CC2)C1 ZINC000647644347 385178002 /nfs/dbraw/zinc/17/80/02/385178002.db2.gz MSQMEMCUKGTTDG-AOOOYVTPSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+]C[C@H]1CCCCN1CCn1cccn1 ZINC000044387962 385206334 /nfs/dbraw/zinc/20/63/34/385206334.db2.gz UNMOJTXIUXRYQA-LLVKDONJSA-N 2 0 208.309 0.696 20 0 BCADRP CC(C)[NH+](CCNC(=O)[C@@H]1CCC[NH2+]1)C(C)C ZINC000019412663 385207384 /nfs/dbraw/zinc/20/73/84/385207384.db2.gz HICGJASYXRPDQK-LBPRGKRZSA-N 2 0 241.379 0.973 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000647063829 385207648 /nfs/dbraw/zinc/20/76/48/385207648.db2.gz VFZPGVZCJMLIGV-MNOVXSKESA-N 2 0 227.352 0.762 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000647064714 385210332 /nfs/dbraw/zinc/21/03/32/385210332.db2.gz SADWUYVREZMLRB-MWLCHTKSSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)CC(C)(C)[NH3+] ZINC000647064688 385210731 /nfs/dbraw/zinc/21/07/31/385210731.db2.gz PPNMLWHDFDUKPR-MRVPVSSYSA-N 2 0 201.314 0.357 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000647071080 385218689 /nfs/dbraw/zinc/21/86/89/385218689.db2.gz QQJCITUPNKSPOA-VGMNWLOBSA-N 2 0 249.305 0.473 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000647071081 385219886 /nfs/dbraw/zinc/21/98/86/385219886.db2.gz QQJCITUPNKSPOA-XHNCKOQMSA-N 2 0 249.305 0.473 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000647090296 385256602 /nfs/dbraw/zinc/25/66/02/385256602.db2.gz JJAXVGMTPZHLJW-CMPLNLGQSA-N 2 0 225.336 0.054 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000647090297 385256718 /nfs/dbraw/zinc/25/67/18/385256718.db2.gz JJAXVGMTPZHLJW-JQWIXIFHSA-N 2 0 225.336 0.054 20 0 BCADRP [NH3+]CC1(CC(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000647075763 385228597 /nfs/dbraw/zinc/22/85/97/385228597.db2.gz HDMKSVQMLJCXJU-MRVPVSSYSA-N 2 0 247.289 0.229 20 0 BCADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)CCC[NH3+] ZINC000405003136 385232728 /nfs/dbraw/zinc/23/27/28/385232728.db2.gz ZMCFLMUJKOUPRH-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP CC(C)[C@@H]1CN(CC(C)(C)[NH3+])CC[N@@H+]1C ZINC000108362548 385233338 /nfs/dbraw/zinc/23/33/38/385233338.db2.gz IEKOIBBXPQPZKL-NSHDSACASA-N 2 0 213.369 0.996 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000157641541 385239288 /nfs/dbraw/zinc/23/92/88/385239288.db2.gz DOHIBUUHHBWMCR-WOPDTQHZSA-N 2 0 241.379 0.816 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)o1 ZINC000647082949 385244051 /nfs/dbraw/zinc/24/40/51/385244051.db2.gz VKYMTNQQMBVALH-RKDXNWHRSA-N 2 0 237.303 0.596 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000647083777 385247211 /nfs/dbraw/zinc/24/72/11/385247211.db2.gz KMGRBXDMXIYISA-PHDIDXHHSA-N 2 0 227.230 0.120 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N(C)[C@H](C[NH3+])C2CC2)CC[NH2+]1 ZINC000647085566 385249154 /nfs/dbraw/zinc/24/91/54/385249154.db2.gz SZERIWUESMKSAI-ZMLRMANQSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](CC(=O)N(C)CC[NH3+])C1CC[NH2+]CC1 ZINC000647088627 385253537 /nfs/dbraw/zinc/25/35/37/385253537.db2.gz HSRAOFXIXGEBSA-SNVBAGLBSA-N 2 0 227.352 0.429 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000647090308 385255699 /nfs/dbraw/zinc/25/56/99/385255699.db2.gz KQDNAVADPQLMDL-SECBINFHSA-N 2 0 213.325 0.052 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN([C@@H]2CCNC2=O)C1 ZINC000178207479 385205942 /nfs/dbraw/zinc/20/59/42/385205942.db2.gz NGPVKEWVERQSJD-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC(CC[NH3+])CC1 ZINC000569254240 385314080 /nfs/dbraw/zinc/31/40/80/385314080.db2.gz HJXYXNGLHGXGLV-UHFFFAOYSA-N 2 0 241.379 0.916 20 0 BCADRP OCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000157939612 385316934 /nfs/dbraw/zinc/31/69/34/385316934.db2.gz RHWNFUPQQNRWHW-NEPJUHHUSA-N 2 0 212.337 0.975 20 0 BCADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCCO1 ZINC000037889903 385320717 /nfs/dbraw/zinc/32/07/17/385320717.db2.gz QEIONKNNNOSPAC-AVGNSLFASA-N 2 0 242.363 0.600 20 0 BCADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[NH3+])C1 ZINC000237037414 385259203 /nfs/dbraw/zinc/25/92/03/385259203.db2.gz OCTFEOQBSKMRND-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](O)CC[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000308902933 385274919 /nfs/dbraw/zinc/27/49/19/385274919.db2.gz JKSYKVNKAUJOBA-MNOVXSKESA-N 2 0 200.326 0.689 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157783005 385277773 /nfs/dbraw/zinc/27/77/73/385277773.db2.gz JNABZFOLBXJJQB-QJPTWQEYSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000647490235 385281500 /nfs/dbraw/zinc/28/15/00/385281500.db2.gz HHAPCEPBYBLBHZ-GRYCIOLGSA-N 3 0 211.353 0.655 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647650201 385286525 /nfs/dbraw/zinc/28/65/25/385286525.db2.gz RPYZPAJDSSNRTR-HHHUOAJASA-N 2 0 237.347 0.180 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648152405 385291805 /nfs/dbraw/zinc/29/18/05/385291805.db2.gz ZXUPHBCNYXIPAB-NNYUYHANSA-N 2 0 237.347 0.004 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000648152367 385292321 /nfs/dbraw/zinc/29/23/21/385292321.db2.gz SZVSNPMAAPITJO-QWRGUYRKSA-N 2 0 239.363 0.537 20 0 BCADRP CCCN(C(=O)C[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000189905857 385323517 /nfs/dbraw/zinc/32/35/17/385323517.db2.gz QNWHSOIBGDYYSO-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCCC[NH+]1CCCCC1 ZINC000037476121 385294655 /nfs/dbraw/zinc/29/46/55/385294655.db2.gz OKNNTBIBCZRVSF-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[NH2+][C@H](C)Cc1noc(CC[C@@H]2CCC[NH2+]2)n1 ZINC000647142815 385295088 /nfs/dbraw/zinc/29/50/88/385295088.db2.gz IOXNGPFBZZSXPG-ZJUUUORDSA-N 2 0 238.335 0.905 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000643973993 385338176 /nfs/dbraw/zinc/33/81/76/385338176.db2.gz QTQXHLCFWJJPTR-BDAKNGLRSA-N 2 0 247.289 0.181 20 0 BCADRP c1n[nH]cc1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309014946 385371060 /nfs/dbraw/zinc/37/10/60/385371060.db2.gz QOZMUWDEEGCADF-PHIMTYICSA-N 2 0 206.293 0.103 20 0 BCADRP CCC[NH2+]CCNC(=O)CC(C)(C)[NH3+] ZINC000179261679 385372744 /nfs/dbraw/zinc/37/27/44/385372744.db2.gz RNDKBRQXIKQJKQ-UHFFFAOYSA-N 2 0 201.314 0.230 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CC[NH2+]CC1(C)C ZINC000644076040 385424664 /nfs/dbraw/zinc/42/46/64/385424664.db2.gz WJROLAWGFYWWJU-VIFPVBQESA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]1CCCC[NH2+]1)[C@@H](C)[NH3+] ZINC000644080501 385425680 /nfs/dbraw/zinc/42/56/80/385425680.db2.gz QPXHIUKLRMIDRJ-UTUOFQBUSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)[C@H](C(=O)N(C)CCC[NH3+])[C@H](C)[NH3+] ZINC000644067293 385416814 /nfs/dbraw/zinc/41/68/14/385416814.db2.gz NTHGOSWWYUGQFZ-UWVGGRQHSA-N 2 0 215.341 0.413 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000644076520 385421277 /nfs/dbraw/zinc/42/12/77/385421277.db2.gz ZHHZWSPZYQOQTC-VWYCJHECSA-N 2 0 237.347 0.337 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000644076519 385422056 /nfs/dbraw/zinc/42/20/56/385422056.db2.gz ZHHZWSPZYQOQTC-OUAUKWLOSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000644082244 385428687 /nfs/dbraw/zinc/42/86/87/385428687.db2.gz RKBNSMPXOUNVET-DCAQKATOSA-N 2 0 239.363 0.489 20 0 BCADRP CC(C)[C@H](C(=O)NCC[NH2+]C1CC1)[C@@H](C)[NH3+] ZINC000644083985 385433402 /nfs/dbraw/zinc/43/34/02/385433402.db2.gz YFYJDJJRRSOTLV-KOLCDFICSA-N 2 0 227.352 0.474 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644087646 385436023 /nfs/dbraw/zinc/43/60/23/385436023.db2.gz FHWYDODOKHSADV-VIFPVBQESA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]CC1(CC(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000644086289 385437543 /nfs/dbraw/zinc/43/75/43/385437543.db2.gz YSYAMIOAXNOTPE-LLVKDONJSA-N 2 0 239.363 0.621 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000644111575 385488546 /nfs/dbraw/zinc/48/85/46/385488546.db2.gz GFAGSAFMFMJPAR-UHFFFAOYSA-N 2 0 247.342 0.891 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364573775 385480471 /nfs/dbraw/zinc/48/04/71/385480471.db2.gz CLDCGRHZFMELBZ-NTZNESFSSA-N 2 0 239.363 0.476 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000257647061 385480765 /nfs/dbraw/zinc/48/07/65/385480765.db2.gz ANCFBPJWDBDUSN-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C[NH3+])CC2)C1 ZINC000257668306 385484447 /nfs/dbraw/zinc/48/44/47/385484447.db2.gz FTMKEICLDQMQDY-LBPRGKRZSA-N 2 0 239.363 0.526 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000257670653 385485900 /nfs/dbraw/zinc/48/59/00/385485900.db2.gz GINCEYOXQWEWGF-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CCC([NH3+])CC2)C1 ZINC000257689890 385493261 /nfs/dbraw/zinc/49/32/61/385493261.db2.gz LKGSBWUDJPBSSM-UNXYVOJBSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@H]1CN(C[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000257790859 385495373 /nfs/dbraw/zinc/49/53/73/385495373.db2.gz PAXYFSVWBPRPKD-QWHCGFSZSA-N 2 0 225.380 0.868 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000257751326 385495965 /nfs/dbraw/zinc/49/59/65/385495965.db2.gz GPAHGNRGEGCNSD-MNOVXSKESA-N 2 0 225.336 0.278 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000257753627 385496050 /nfs/dbraw/zinc/49/60/50/385496050.db2.gz ZJJNCMUDZBDKDS-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000257750170 385496730 /nfs/dbraw/zinc/49/67/30/385496730.db2.gz YJWXMQLMWYARJP-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](C)C[NH3+] ZINC000309250110 385500441 /nfs/dbraw/zinc/50/04/41/385500441.db2.gz DQJKBWTZBCSHNU-NXEZZACHSA-N 2 0 215.341 0.413 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NC1(C)CC[NH2+]CC1 ZINC000644122661 385502467 /nfs/dbraw/zinc/50/24/67/385502467.db2.gz VADDHFRLVZAWSW-VIFPVBQESA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000644126380 385503777 /nfs/dbraw/zinc/50/37/77/385503777.db2.gz QYARLXQICLEKNN-CHWFTXMASA-N 2 0 239.363 0.487 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000644126382 385504115 /nfs/dbraw/zinc/50/41/15/385504115.db2.gz QYARLXQICLEKNN-GWOFURMSSA-N 2 0 239.363 0.487 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000106364187 385506091 /nfs/dbraw/zinc/50/60/91/385506091.db2.gz VQHJAERWXZBVTG-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000364870283 385532148 /nfs/dbraw/zinc/53/21/48/385532148.db2.gz ATDJFUGQGKCXAU-HOSYDEDBSA-N 2 0 243.326 0.274 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000364870286 385532693 /nfs/dbraw/zinc/53/26/93/385532693.db2.gz ATDJFUGQGKCXAU-NHCYSSNCSA-N 2 0 243.326 0.274 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000644144842 385535764 /nfs/dbraw/zinc/53/57/64/385535764.db2.gz OTZXXBAUSMAECS-SECBINFHSA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644140601 385523100 /nfs/dbraw/zinc/52/31/00/385523100.db2.gz TULAKRCBLQSHDP-VIFPVBQESA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000082475031 385551617 /nfs/dbraw/zinc/55/16/17/385551617.db2.gz PWTPLQJESCLFFV-SECBINFHSA-N 2 0 225.336 0.324 20 0 BCADRP COCC[C@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000302682275 385554119 /nfs/dbraw/zinc/55/41/19/385554119.db2.gz QKDCDAFCQIHTHV-QWHCGFSZSA-N 2 0 241.379 0.391 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000364990975 385557647 /nfs/dbraw/zinc/55/76/47/385557647.db2.gz XIVRUYOSRKRUJG-GRYCIOLGSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000365093496 385595838 /nfs/dbraw/zinc/59/58/38/385595838.db2.gz LCXLZRMRPZXILZ-GMXVVIOVSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000309474414 385603233 /nfs/dbraw/zinc/60/32/33/385603233.db2.gz RPYRHMRBQRAHPP-IVZWLZJFSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@H](O)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000647909476 385627125 /nfs/dbraw/zinc/62/71/25/385627125.db2.gz QNTGNBXJOKVITJ-JTQLQIEISA-N 2 0 230.352 0.192 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000337418084 385644130 /nfs/dbraw/zinc/64/41/30/385644130.db2.gz SLLYIOMEUFUXPE-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000228326246 385647211 /nfs/dbraw/zinc/64/72/11/385647211.db2.gz MKZKCWBJRMDKOU-GRYCIOLGSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000647723977 385655358 /nfs/dbraw/zinc/65/53/58/385655358.db2.gz BPDYTGCOIPKNNT-YTWAJWBKSA-N 2 0 225.336 0.228 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000337433573 385658416 /nfs/dbraw/zinc/65/84/16/385658416.db2.gz BMXSCUASBPLHGH-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000337433561 385658863 /nfs/dbraw/zinc/65/88/63/385658863.db2.gz BMXSCUASBPLHGH-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H](C)CC[NH3+] ZINC000309522180 385659710 /nfs/dbraw/zinc/65/97/10/385659710.db2.gz BWRQVXYVEUFWFT-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP C(CN1CCC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000309536542 385676230 /nfs/dbraw/zinc/67/62/30/385676230.db2.gz FLMIOWCQQKAOGD-QWHCGFSZSA-N 2 0 223.364 0.909 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000647726884 385680206 /nfs/dbraw/zinc/68/02/06/385680206.db2.gz WNTHCJBYRMBMRR-UWJQSHOHSA-N 2 0 223.320 0.123 20 0 BCADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCC[NH2+]2)CC1 ZINC000414853276 385685800 /nfs/dbraw/zinc/68/58/00/385685800.db2.gz XIFJGGXBJQWPJT-HTAVTVPLSA-N 3 0 211.353 0.846 20 0 BCADRP CC(C)(C)[NH2+]CCCNC1=[NH+]CCCN1 ZINC000309581316 385712731 /nfs/dbraw/zinc/71/27/31/385712731.db2.gz SLKPYTSDAYLBTP-UHFFFAOYSA-N 2 0 212.341 0.704 20 0 BCADRP OC[C@H](CC(F)F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647795631 385745980 /nfs/dbraw/zinc/74/59/80/385745980.db2.gz RZAUSRZULXQKMC-ZDCRXTMVSA-N 2 0 248.317 0.980 20 0 BCADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000414863876 385761638 /nfs/dbraw/zinc/76/16/38/385761638.db2.gz JKXKWTFNKRIZPJ-UTUOFQBUSA-N 2 0 211.353 0.859 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973052 385778861 /nfs/dbraw/zinc/77/88/61/385778861.db2.gz NUVZVGABGFADQH-VXGBXAGGSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1cncs1 ZINC000309590028 385720956 /nfs/dbraw/zinc/72/09/56/385720956.db2.gz UNLDDVXFPZMMPI-ONGXEEELSA-N 2 0 241.360 0.860 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H](C)C[NH2+]C ZINC000336737516 385799379 /nfs/dbraw/zinc/79/93/79/385799379.db2.gz JLTXTQWQYLWFKX-ONGXEEELSA-N 2 0 215.341 0.476 20 0 BCADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC[NH2+]CC1 ZINC000647799390 385800205 /nfs/dbraw/zinc/80/02/05/385800205.db2.gz DUCNDHMTTLSWSC-MELADBBJSA-N 3 0 237.391 0.964 20 0 BCADRP Cn1cnc(CCC[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000647801387 385810110 /nfs/dbraw/zinc/81/01/10/385810110.db2.gz UJIUQCASSQZIOG-QWRGUYRKSA-N 2 0 237.351 0.465 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186898980 385811950 /nfs/dbraw/zinc/81/19/50/385811950.db2.gz JILBOESVBQFCOV-UTLUCORTSA-N 2 0 213.325 0.084 20 0 BCADRP CCSCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000336716095 385813582 /nfs/dbraw/zinc/81/35/82/385813582.db2.gz XDTYXKGDVMQWPU-LLVKDONJSA-N 2 0 232.393 0.786 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000521432810 385826992 /nfs/dbraw/zinc/82/69/92/385826992.db2.gz HTQTXGCNGLYVGC-RBXMUDONSA-N 2 0 216.329 0.147 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@]1(C)CC[NH2+]C1 ZINC000414953941 385835427 /nfs/dbraw/zinc/83/54/27/385835427.db2.gz MHTUJKCNTAPFRB-QJPTWQEYSA-N 2 0 211.353 0.716 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647802625 385836427 /nfs/dbraw/zinc/83/64/27/385836427.db2.gz QHUMLYMKUFNDAR-NZEXEKPDSA-N 2 0 240.347 0.378 20 0 BCADRP CO[C@@H](C[NH3+])CC(=O)Nc1ccncc1C ZINC000232120579 385837592 /nfs/dbraw/zinc/83/75/92/385837592.db2.gz ZLRSLAHCYNMWLE-SECBINFHSA-N 2 0 223.276 0.692 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000262434275 385845311 /nfs/dbraw/zinc/84/53/11/385845311.db2.gz LBBWVXNLTHRHFD-QWHCGFSZSA-N 2 0 247.342 0.410 20 0 BCADRP CC(C)([NH3+])C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262431977 385845971 /nfs/dbraw/zinc/84/59/71/385845971.db2.gz TWQBQHAORLDZKV-NWDGAFQWSA-N 2 0 247.342 0.677 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000262439673 385846008 /nfs/dbraw/zinc/84/60/08/385846008.db2.gz AMADGMSRLJEWGB-NHCYSSNCSA-N 2 0 235.331 0.786 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000262454290 385847788 /nfs/dbraw/zinc/84/77/88/385847788.db2.gz SQYCUHKUQQVNAM-NEPJUHHUSA-N 2 0 235.331 0.786 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H](C)[NH3+] ZINC000638536510 385796220 /nfs/dbraw/zinc/79/62/20/385796220.db2.gz HCPBQYFHEJCCNA-IUCAKERBSA-N 2 0 216.329 0.006 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000294707623 385885539 /nfs/dbraw/zinc/88/55/39/385885539.db2.gz HDZOJDIRKSHMBO-GXTWGEPZSA-N 2 0 247.342 0.681 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2C)C1 ZINC000294704653 385886114 /nfs/dbraw/zinc/88/61/14/385886114.db2.gz GXOFSHZCQGQZLR-AAEUAGOBSA-N 2 0 247.342 0.815 20 0 BCADRP C[C@@H]1CN(Cc2nc(C(C)(C)[NH3+])no2)CC[NH2+]1 ZINC000647841612 385890407 /nfs/dbraw/zinc/89/04/07/385890407.db2.gz BXVXKDZNRPEIEG-MRVPVSSYSA-N 2 0 239.323 0.057 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000647843196 385893327 /nfs/dbraw/zinc/89/33/27/385893327.db2.gz GQBZNUAJRODNIM-ZETCQYMHSA-N 2 0 235.278 0.085 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)CC[C@@H]1[NH3+] ZINC000647844385 385895612 /nfs/dbraw/zinc/89/56/12/385895612.db2.gz RNPDGQFOAFKAJN-PWSUYJOCSA-N 2 0 235.331 0.554 20 0 BCADRP CCc1cnc(CN2CCC(O)(C[NH3+])CC2)o1 ZINC000563211779 385897602 /nfs/dbraw/zinc/89/76/02/385897602.db2.gz OXSONIIGTFABPM-UHFFFAOYSA-N 2 0 239.319 0.523 20 0 BCADRP CCc1cc(=O)[nH]c(CN(C)CCC[NH3+])n1 ZINC000647848067 385898796 /nfs/dbraw/zinc/89/87/96/385898796.db2.gz BMRNSAJFYZOFAU-UHFFFAOYSA-N 2 0 224.308 0.525 20 0 BCADRP CC1(C)CNCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000647852856 385905384 /nfs/dbraw/zinc/90/53/84/385905384.db2.gz IWNOQTPAFRFCSG-NSHDSACASA-N 2 0 211.353 0.670 20 0 BCADRP C[C@]([NH3+])(C(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000262905992 385907033 /nfs/dbraw/zinc/90/70/33/385907033.db2.gz QEEACLDTDVPXDQ-GXTWGEPZSA-N 2 0 247.342 0.810 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)CCC(C)(C)[NH3+] ZINC000647857030 385907346 /nfs/dbraw/zinc/90/73/46/385907346.db2.gz KLVAQXODHRUKOW-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@H](C)[NH3+] ZINC000308918085 385908667 /nfs/dbraw/zinc/90/86/67/385908667.db2.gz BPXGSAGWUZCFJS-DTWKUNHWSA-N 2 0 201.314 0.213 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000335820991 385908797 /nfs/dbraw/zinc/90/87/97/385908797.db2.gz HNRNNKKJZFBCPB-GHMZBOCLSA-N 2 0 227.352 0.522 20 0 BCADRP C[N@@H+](CCC(N)=O)CC[C@H]1CCCC[NH+]1C ZINC000353208839 385909519 /nfs/dbraw/zinc/90/95/19/385909519.db2.gz OOJUHFLMSUNJCJ-LLVKDONJSA-N 2 0 227.352 0.668 20 0 BCADRP C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000336721583 385911867 /nfs/dbraw/zinc/91/18/67/385911867.db2.gz DSROZCGHSRTCBS-YFKTTZPYSA-N 2 0 212.337 0.830 20 0 BCADRP C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000336721556 385912511 /nfs/dbraw/zinc/91/25/11/385912511.db2.gz DSROZCGHSRTCBS-QCNOEVLYSA-N 2 0 212.337 0.830 20 0 BCADRP [NH3+]CCCOC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647859048 385916965 /nfs/dbraw/zinc/91/69/65/385916965.db2.gz IKRNFKKYBJAZSY-LBPRGKRZSA-N 3 0 241.379 0.426 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCC[NH2+]C ZINC000417441058 385921073 /nfs/dbraw/zinc/92/10/73/385921073.db2.gz ABKACNLBNGFRNL-JTQLQIEISA-N 2 0 230.356 0.235 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000335036426 385926432 /nfs/dbraw/zinc/92/64/32/385926432.db2.gz CXQPMMBVPTXYDJ-NWDGAFQWSA-N 2 0 231.299 0.618 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000647811047 385861744 /nfs/dbraw/zinc/86/17/44/385861744.db2.gz QEHOGYRGWAAWNE-JGVFFNPUSA-N 2 0 235.278 0.037 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000647732768 385861955 /nfs/dbraw/zinc/86/19/55/385861955.db2.gz XKXTTYZSDHZBMA-ZYHUDNBSSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH3+])C2)CC[N@@H+]1C ZINC000647732338 385862087 /nfs/dbraw/zinc/86/20/87/385862087.db2.gz CSVXIZFBCFVSCV-OUAUKWLOSA-N 2 0 225.336 0.134 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000647732458 385862161 /nfs/dbraw/zinc/86/21/61/385862161.db2.gz IOWXJSWNPSDPAT-OUAUKWLOSA-N 2 0 225.336 0.182 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CCC[NH2+]1 ZINC000647816986 385870582 /nfs/dbraw/zinc/87/05/82/385870582.db2.gz VGGMOHRXLOQWTE-GMXVVIOVSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H](Cn1cncn1)[NH2+]CCCC[NH+](C)C ZINC000340470452 385871345 /nfs/dbraw/zinc/87/13/45/385871345.db2.gz OKIAKOKQVKEURM-LBPRGKRZSA-N 2 0 239.367 0.988 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000647831334 385875015 /nfs/dbraw/zinc/87/50/15/385875015.db2.gz JIIGCBRCMLQMAI-NEPJUHHUSA-N 2 0 241.379 0.878 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000647829255 385878366 /nfs/dbraw/zinc/87/83/66/385878366.db2.gz CRWZYCGSPHRUMB-GARJFASQSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000647829453 385878925 /nfs/dbraw/zinc/87/89/25/385878925.db2.gz IRDNKNMAVHALKH-ZNSHCXBVSA-N 2 0 225.336 0.357 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000647836741 385879814 /nfs/dbraw/zinc/87/98/14/385879814.db2.gz OREPBVOCMINYTF-OLZOCXBDSA-N 2 0 225.380 0.917 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000294669142 385879989 /nfs/dbraw/zinc/87/99/89/385879989.db2.gz ALEQNWMCWFPRLW-RYUDHWBXSA-N 2 0 233.315 0.554 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccn(C)c(=O)c2)CC1 ZINC000647832475 385883154 /nfs/dbraw/zinc/88/31/54/385883154.db2.gz NSBNGSFKTRCEKS-LLVKDONJSA-N 2 0 249.358 0.945 20 0 BCADRP [NH3+]C1(CC(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC000639019972 385932182 /nfs/dbraw/zinc/93/21/82/385932182.db2.gz IJTZRDYXCFGZGM-WDEREUQCSA-N 2 0 237.347 0.468 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000294982593 385934395 /nfs/dbraw/zinc/93/43/95/385934395.db2.gz YJBXXSYLTSUISW-SNVBAGLBSA-N 2 0 248.330 0.926 20 0 BCADRP CN1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CC1=O ZINC000335043698 385935285 /nfs/dbraw/zinc/93/52/85/385935285.db2.gz RCXHHHBVLKVVAZ-VQXHTEKXSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000251145397 385935344 /nfs/dbraw/zinc/93/53/44/385935344.db2.gz XDFLYTPRJATLSD-QWRGUYRKSA-N 2 0 225.336 0.278 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC[C@H](C)[NH3+] ZINC000417445391 385937044 /nfs/dbraw/zinc/93/70/44/385937044.db2.gz GRETWDGVJNTWOV-WDEREUQCSA-N 2 0 244.383 0.753 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1cn[nH]c1 ZINC000309012984 385937450 /nfs/dbraw/zinc/93/74/50/385937450.db2.gz PTJIZVFODFHWHR-MWLCHTKSSA-N 2 0 208.309 0.764 20 0 BCADRP [NH3+]C[C@H](C(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000295222373 385993361 /nfs/dbraw/zinc/99/33/61/385993361.db2.gz RDMRYNLCFXQZGX-STQMWFEESA-N 2 0 247.342 0.582 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](C)C[NH3+] ZINC000417443967 385947950 /nfs/dbraw/zinc/94/79/50/385947950.db2.gz BMBJOYOOTNGKMX-NXEZZACHSA-N 2 0 230.356 0.363 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)CC[NH3+] ZINC000417448776 385952530 /nfs/dbraw/zinc/95/25/30/385952530.db2.gz WIVHTUPQAMZBAY-WDEREUQCSA-N 2 0 244.383 0.753 20 0 BCADRP CC[C@H](Cn1cncn1)[NH2+]CCC[NH+](C)C ZINC000336742441 385953316 /nfs/dbraw/zinc/95/33/16/385953316.db2.gz SBYLPDVTNMQVOY-LLVKDONJSA-N 2 0 225.340 0.598 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CC1([NH3+])CCC1 ZINC000638567871 385954399 /nfs/dbraw/zinc/95/43/99/385954399.db2.gz SFJUZNGFWNANOF-VHSXEESVSA-N 2 0 225.336 0.515 20 0 BCADRP CC(C)[NH+](CCCNC(=O)NCC[NH3+])C(C)C ZINC000417796992 385956430 /nfs/dbraw/zinc/95/64/30/385956430.db2.gz OSLOEBIITSCLOO-UHFFFAOYSA-N 2 0 244.383 0.753 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C[C@@H]1CC[NH2+]C1 ZINC000647863725 385961762 /nfs/dbraw/zinc/96/17/62/385961762.db2.gz IXRCRUDOUSFLOJ-JTQLQIEISA-N 2 0 227.352 0.429 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000647865396 385994171 /nfs/dbraw/zinc/99/41/71/385994171.db2.gz IETFVQRKWSDKRB-QJPTWQEYSA-N 2 0 227.352 0.034 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000365236038 385968630 /nfs/dbraw/zinc/96/86/30/385968630.db2.gz AOZHMNGNKAVGTA-SRRSOLGSSA-N 2 0 237.347 0.243 20 0 BCADRP CC[NH+](CC)CCCN[C@H]1C(=O)NCC[C@H]1C ZINC000338361072 385971447 /nfs/dbraw/zinc/97/14/47/385971447.db2.gz LNZUNADECHUEJH-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP CC[N@H+](CCNC(=O)N(C)[C@H](C)C[NH3+])C(C)C ZINC000417456668 386000161 /nfs/dbraw/zinc/00/01/61/386000161.db2.gz GXTNLLCHBUUSSP-LLVKDONJSA-N 2 0 244.383 0.705 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000295267820 386001247 /nfs/dbraw/zinc/00/12/47/386001247.db2.gz RVJZAKVSSCEXPX-NWDGAFQWSA-N 2 0 235.331 0.582 20 0 BCADRP CCCC[N@H+](CCO)CCOCC[NH3+] ZINC000336769830 386005590 /nfs/dbraw/zinc/00/55/90/386005590.db2.gz VZALHEIRSQWYCT-UHFFFAOYSA-N 2 0 204.314 0.056 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000309406505 386006877 /nfs/dbraw/zinc/00/68/77/386006877.db2.gz HZHSIDZDMILYHF-IUCAKERBSA-N 2 0 213.325 0.310 20 0 BCADRP CC[N@H+](CCNC(=O)N1CC[C@@H]([NH3+])C1)C(C)C ZINC000417459254 386010769 /nfs/dbraw/zinc/01/07/69/386010769.db2.gz IWJWUPYNVLYIKD-LLVKDONJSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000309516005 386015577 /nfs/dbraw/zinc/01/55/77/386015577.db2.gz YSNOGWCAXBLQME-GUBZILKMSA-N 2 0 213.325 0.357 20 0 BCADRP CC[N@H+](CCNC(=O)N(C)CC[NH3+])C(C)C ZINC000417462147 386020452 /nfs/dbraw/zinc/02/04/52/386020452.db2.gz MVZHUJNOVCTBIO-UHFFFAOYSA-N 2 0 230.356 0.317 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000335072113 386023932 /nfs/dbraw/zinc/02/39/32/386023932.db2.gz CHCSRGVOVRLTGV-CHWSQXEVSA-N 2 0 245.326 0.521 20 0 BCADRP CC[N@H+](CCNC(=O)NC(C)(C)C[NH3+])C(C)C ZINC000417465265 386031369 /nfs/dbraw/zinc/03/13/69/386031369.db2.gz SAYFDVURUGTNCG-UHFFFAOYSA-N 2 0 244.383 0.753 20 0 BCADRP CC[NH+](CC)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129157493 386033463 /nfs/dbraw/zinc/03/34/63/386033463.db2.gz UEJRACUIUBDYAO-FOSCPWQOSA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365331987 386041488 /nfs/dbraw/zinc/04/14/88/386041488.db2.gz GGQZAYUXRKMNAC-WRWGMCAJSA-N 2 0 237.347 0.324 20 0 BCADRP COC(=O)c1cc(C[NH2+][C@@H](C)CC[NH3+])c[nH]1 ZINC000414884324 386041938 /nfs/dbraw/zinc/04/19/38/386041938.db2.gz NRFCHLUAFPTKLA-QMMMGPOBSA-N 2 0 225.292 0.628 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000295240087 385996528 /nfs/dbraw/zinc/99/65/28/385996528.db2.gz SQYCUHKUQQVNAM-VXGBXAGGSA-N 2 0 235.331 0.786 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000295240084 385997039 /nfs/dbraw/zinc/99/70/39/385997039.db2.gz SQYCUHKUQQVNAM-NWDGAFQWSA-N 2 0 235.331 0.786 20 0 BCADRP COC[C@@H](CC(C)C)[NH2+]CCN1CC[NH2+]CC1 ZINC000414889096 386107118 /nfs/dbraw/zinc/10/71/18/386107118.db2.gz SPXWVGOQRHUTLI-CYBMUJFWSA-N 2 0 243.395 0.542 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)CC1CC[NH2+]CC1 ZINC000054133625 386111276 /nfs/dbraw/zinc/11/12/76/386111276.db2.gz NBPHECWVEZTJFP-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000054133174 386111499 /nfs/dbraw/zinc/11/14/99/386111499.db2.gz IGGPGVLWCAMLJH-LBPRGKRZSA-N 2 0 235.331 0.754 20 0 BCADRP C[C@@H]1CCN(C(=O)C2(C)C[NH2+]C2)C[C@@H]1C[NH3+] ZINC000335073185 386065985 /nfs/dbraw/zinc/06/59/85/386065985.db2.gz HSURPNMNYXOXGW-ZJUUUORDSA-N 2 0 225.336 0.039 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000334440383 386068709 /nfs/dbraw/zinc/06/87/09/386068709.db2.gz WRONTSSIYITCPX-RYUDHWBXSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](N)C2)CC[NH2+]1 ZINC000414651697 386071813 /nfs/dbraw/zinc/07/18/13/386071813.db2.gz FWGVDFJMGSWUFY-GRYCIOLGSA-N 2 0 211.353 0.798 20 0 BCADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000338600571 386074431 /nfs/dbraw/zinc/07/44/31/386074431.db2.gz WERMEGOXAZZJAO-LLVKDONJSA-N 2 0 241.379 0.975 20 0 BCADRP [NH3+]CCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000414656496 386085423 /nfs/dbraw/zinc/08/54/23/386085423.db2.gz NBJYMOYULXDEBL-GFCCVEGCSA-N 3 0 211.353 0.799 20 0 BCADRP COC(=O)C(C)(C)CCN[C@H]1CC[NH2+]C1 ZINC000414887295 386085882 /nfs/dbraw/zinc/08/58/82/386085882.db2.gz QTPHRDVPSIUDMM-VIFPVBQESA-N 2 0 214.309 0.527 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000647870809 386098511 /nfs/dbraw/zinc/09/85/11/386098511.db2.gz ARLFSHXVFRPAIT-KKOKHZNYSA-N 2 0 239.363 0.569 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000414672915 386145040 /nfs/dbraw/zinc/14/50/40/386145040.db2.gz OHKSNQGBVCZGCL-RYUDHWBXSA-N 2 0 213.369 0.901 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000414672912 386145554 /nfs/dbraw/zinc/14/55/54/386145554.db2.gz OHKSNQGBVCZGCL-NWDGAFQWSA-N 2 0 213.369 0.901 20 0 BCADRP COC[C@H]([NH3+])C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000354074834 386145936 /nfs/dbraw/zinc/14/59/36/386145936.db2.gz XHTJABSGKUTFRO-ZJUUUORDSA-N 2 0 245.367 0.053 20 0 BCADRP COC[C@@H]([NH3+])C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000354074833 386146336 /nfs/dbraw/zinc/14/63/36/386146336.db2.gz XHTJABSGKUTFRO-VHSXEESVSA-N 2 0 245.367 0.053 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]1 ZINC000414676161 386148472 /nfs/dbraw/zinc/14/84/72/386148472.db2.gz UUTFSVVLAXZXLZ-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000237290876 259682276 /nfs/dbraw/zinc/68/22/76/259682276.db2.gz AFEBWDUHMUDGAK-DCAQKATOSA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH+](C)C)[NH+](C)C ZINC000346143970 386166153 /nfs/dbraw/zinc/16/61/53/386166153.db2.gz TVLPLSXPUTXQSK-WDEREUQCSA-N 2 0 229.368 0.639 20 0 BCADRP CC[N@H+](C)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000346157095 386170725 /nfs/dbraw/zinc/17/07/25/386170725.db2.gz TYUUJOKULKUQEE-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]2CO)CC[NH2+]1 ZINC000414690782 386186314 /nfs/dbraw/zinc/18/63/14/386186314.db2.gz NSUQSTWIHRODOZ-WOPDTQHZSA-N 2 0 212.337 0.831 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(CC)CCC[NH+](C)C ZINC000638294359 386133837 /nfs/dbraw/zinc/13/38/37/386133837.db2.gz PQPYGXQGWDNDJP-LLVKDONJSA-N 2 0 229.368 0.785 20 0 BCADRP C[C@H](C(=O)NC1CC1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000365520816 386142958 /nfs/dbraw/zinc/14/29/58/386142958.db2.gz ZUJMELIRDYOEPV-MXWKQRLJSA-N 2 0 237.347 0.147 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])CCO1 ZINC000647874973 386143044 /nfs/dbraw/zinc/14/30/44/386143044.db2.gz OBKMGVUKPBKWKA-ZJUUUORDSA-N 2 0 243.351 0.079 20 0 BCADRP C[C@@H]1C[C@@H](C[N@H+](C)CC(C)(CO)CO)CC[NH2+]1 ZINC000414697226 386203008 /nfs/dbraw/zinc/20/30/08/386203008.db2.gz IHDABBOUCXOPNV-NEPJUHHUSA-N 2 0 244.379 0.297 20 0 BCADRP COC(=O)[C@@]1(C)CC[N@H+](CCC[NH3+])C1 ZINC000414702257 386208236 /nfs/dbraw/zinc/20/82/36/386208236.db2.gz IENWKAHBWMABHS-JTQLQIEISA-N 2 0 200.282 0.220 20 0 BCADRP C[C@H](C[NH3+])NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000417507733 386211306 /nfs/dbraw/zinc/21/13/06/386211306.db2.gz OHJPWCFCRWWESP-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131696171 386213827 /nfs/dbraw/zinc/21/38/27/386213827.db2.gz AMEHLEPIADMURA-OUAUKWLOSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000132011165 386219115 /nfs/dbraw/zinc/21/91/15/386219115.db2.gz CTBUTXJKNLMJBN-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000131761492 386221663 /nfs/dbraw/zinc/22/16/63/386221663.db2.gz PXDAWYOGMIMZEK-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]1C[C@@H](C[NH2+]C2(CO)CCC2)CC[NH2+]1 ZINC000414713801 386233408 /nfs/dbraw/zinc/23/34/08/386233408.db2.gz UKOBXOFMCHRPIA-MNOVXSKESA-N 2 0 212.337 0.879 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH3+])cc1 ZINC000430622683 386237281 /nfs/dbraw/zinc/23/72/81/386237281.db2.gz FXUNQAYQELMSHV-CMPLNLGQSA-N 2 0 235.331 0.848 20 0 BCADRP CC(C)(C)[NH2+]CCN[C@@H](CC[NH3+])C(F)F ZINC000415002221 386237901 /nfs/dbraw/zinc/23/79/01/386237901.db2.gz ZBBAMYZSPNTJRJ-QMMMGPOBSA-N 2 0 223.311 0.947 20 0 BCADRP CC(C)(C)[NH2+]CCN[C@H](CC[NH3+])C(F)F ZINC000415002220 386238428 /nfs/dbraw/zinc/23/84/28/386238428.db2.gz ZBBAMYZSPNTJRJ-MRVPVSSYSA-N 2 0 223.311 0.947 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NC(C)(C)CC[NH3+])C1 ZINC000638355130 386247927 /nfs/dbraw/zinc/24/79/27/386247927.db2.gz FWIGKCZZHVVRER-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](C(=O)NC(C)(C)CC[NH3+])[NH+](C)C ZINC000638355601 386248872 /nfs/dbraw/zinc/24/88/72/386248872.db2.gz OGPQNIZOXQRQIT-MRVPVSSYSA-N 2 0 201.314 0.180 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000638358031 386253989 /nfs/dbraw/zinc/25/39/89/386253989.db2.gz XVKQOAHKOUMNLS-KXNHARMFSA-N 2 0 241.379 0.816 20 0 BCADRP COC(=O)C(C)(C)CC[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414895438 386191750 /nfs/dbraw/zinc/19/17/50/386191750.db2.gz XAUAWPBUZDSUOH-JTQLQIEISA-N 2 0 228.336 0.903 20 0 BCADRP COCC(C)(C)C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414895619 386194038 /nfs/dbraw/zinc/19/40/38/386194038.db2.gz YGFIYRHEGJCBKT-SNVBAGLBSA-N 2 0 200.326 0.986 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN([C@@H]2COC[C@H]2O)C1 ZINC000340283111 386196126 /nfs/dbraw/zinc/19/61/26/386196126.db2.gz XBJBTDCHVGGZGF-QJPTWQEYSA-N 2 0 228.336 0.020 20 0 BCADRP CC[N@H+](C)CCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000131149549 386197277 /nfs/dbraw/zinc/19/72/77/386197277.db2.gz KFXRMRJVXOCXHG-UHFFFAOYSA-N 2 0 247.342 0.971 20 0 BCADRP CC[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CCS1 ZINC000133029250 386286043 /nfs/dbraw/zinc/28/60/43/386286043.db2.gz HRRZWHHQJCYMPZ-LBPRGKRZSA-N 2 0 243.420 0.719 20 0 BCADRP [NH3+]CCCN1CC[NH2+]CC12CCCCC2 ZINC000335263327 386292914 /nfs/dbraw/zinc/29/29/14/386292914.db2.gz VLMXREPDVGASOS-UHFFFAOYSA-N 2 0 211.353 0.943 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000133182142 386300922 /nfs/dbraw/zinc/30/09/22/386300922.db2.gz HJLYAEKZRODKGJ-VXGBXAGGSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CCCC[NH2+]1 ZINC000180896725 386304906 /nfs/dbraw/zinc/30/49/06/386304906.db2.gz QVVCCEXXAOYVTG-CMPLNLGQSA-N 2 0 225.336 0.387 20 0 BCADRP C[C@]1(C(=O)NC[C@H]2CCC[NH2+]2)CCCC[NH2+]1 ZINC000180896765 386305387 /nfs/dbraw/zinc/30/53/87/386305387.db2.gz QVVCCEXXAOYVTG-ZYHUDNBSSA-N 2 0 225.336 0.387 20 0 BCADRP Cn1cncc1CCN(C1CC1)C1COC1 ZINC000298172986 386306847 /nfs/dbraw/zinc/30/68/47/386306847.db2.gz UMFCPRUMSWQAKY-UHFFFAOYSA-N 2 0 221.304 0.826 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000236783682 386311748 /nfs/dbraw/zinc/31/17/48/386311748.db2.gz GRYMBTLQJAILID-JTQLQIEISA-N 2 0 227.352 0.762 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@](C)(C(N)=O)C2)CC[NH2+]1 ZINC000414739964 386318101 /nfs/dbraw/zinc/31/81/01/386318101.db2.gz CNUMLXHXAJGXRF-MDZLAQPJSA-N 2 0 239.363 0.572 20 0 BCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C[NH2+]C)c1 ZINC000236875549 386320217 /nfs/dbraw/zinc/32/02/17/386320217.db2.gz ZJGQOBYKAQHBCI-UHFFFAOYSA-N 2 0 249.358 0.974 20 0 BCADRP CC[N@H+](C)Cc1cccc(CNC(=O)C[NH3+])c1 ZINC000236875505 386320666 /nfs/dbraw/zinc/32/06/66/386320666.db2.gz YAFHHFLRMDEXNM-UHFFFAOYSA-N 2 0 235.331 0.713 20 0 BCADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC000336652092 386266053 /nfs/dbraw/zinc/26/60/53/386266053.db2.gz WJIQEXLHWPHMFP-RYUDHWBXSA-N 2 0 212.337 0.906 20 0 BCADRP CC[C@@H](C(=O)NC[C@H](C)[NH2+]C)[NH+](CC)CC ZINC000339136286 386266576 /nfs/dbraw/zinc/26/65/76/386266576.db2.gz JTPRRWIBDOQTTK-QWRGUYRKSA-N 2 0 229.368 0.831 20 0 BCADRP C[N@H+](CCCC1CC[NH2+]CC1)C[C@@H](O)C[NH3+] ZINC000647987578 386274579 /nfs/dbraw/zinc/27/45/79/386274579.db2.gz FNDNDOZQZFLGTQ-LBPRGKRZSA-N 3 0 229.368 0.018 20 0 BCADRP COC1CC([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000347242479 386275883 /nfs/dbraw/zinc/27/58/83/386275883.db2.gz UJTASYBUEGDYKN-UHFFFAOYSA-N 2 0 242.363 0.866 20 0 BCADRP CC(C)[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000336683207 386343451 /nfs/dbraw/zinc/34/34/51/386343451.db2.gz JPNQICYHIAHXNE-VXGBXAGGSA-N 2 0 214.353 0.887 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H](O)C3(CC3)C2)CC[NH2+]1 ZINC000414746203 386344901 /nfs/dbraw/zinc/34/49/01/386344901.db2.gz RUTQQCRPDHRZJG-GRYCIOLGSA-N 2 0 224.348 0.831 20 0 BCADRP C([C@@H]1CC[NH2+]C1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647970047 386347456 /nfs/dbraw/zinc/34/74/56/386347456.db2.gz ZFKXSIJTYOOYBC-OCCSQVGLSA-N 3 0 237.391 0.917 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC ZINC000226396706 386386633 /nfs/dbraw/zinc/38/66/33/386386633.db2.gz OASMTCGHOTUGGY-ZJUUUORDSA-N 2 0 215.341 0.570 20 0 BCADRP C(C1CC[NH2+]CC1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000335270358 386355577 /nfs/dbraw/zinc/35/55/77/386355577.db2.gz IXHJGENAIPKZSJ-QWHCGFSZSA-N 2 0 223.364 0.670 20 0 BCADRP NC(=O)C[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647890091 386368213 /nfs/dbraw/zinc/36/82/13/386368213.db2.gz PJYUTMWPUIFELU-QWRGUYRKSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000237317189 386370859 /nfs/dbraw/zinc/37/08/59/386370859.db2.gz PAQSTMAEAPRDOP-MRVPVSSYSA-N 2 0 222.292 0.429 20 0 BCADRP CC[NH+](CC)CCNC(=O)N[C@H](C)CC[NH3+] ZINC000416786903 386381005 /nfs/dbraw/zinc/38/10/05/386381005.db2.gz DZOICOZCRJAKCF-SNVBAGLBSA-N 2 0 230.356 0.365 20 0 BCADRP CC[NH+](CC)CCNC(=O)NCC[C@H](C)[NH3+] ZINC000416789677 386383247 /nfs/dbraw/zinc/38/32/47/386383247.db2.gz KWEYNQUMMRZOSH-JTQLQIEISA-N 2 0 230.356 0.365 20 0 BCADRP CC[NH2+]CCNC(=O)NCC[NH+](CC)CC ZINC000416787775 386383459 /nfs/dbraw/zinc/38/34/59/386383459.db2.gz HCWOBYYPUHTOHY-UHFFFAOYSA-N 2 0 230.356 0.237 20 0 BCADRP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CCC[NH3+] ZINC000414753120 386387564 /nfs/dbraw/zinc/38/75/64/386387564.db2.gz DBBBLSDAXVYNRH-QWRGUYRKSA-N 2 0 244.335 0.378 20 0 BCADRP [NH3+]C[C@H]1CN(CC[C@@H]2CCCO2)CCO1 ZINC000226770632 386383688 /nfs/dbraw/zinc/38/36/88/386383688.db2.gz XUGKMFGTZNSQHX-QWRGUYRKSA-N 2 0 214.309 0.215 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000276863222 386384643 /nfs/dbraw/zinc/38/46/43/386384643.db2.gz BPVLKXGYMUAAKM-RYUDHWBXSA-N 2 0 249.358 0.970 20 0 BCADRP CC[N@H+](CCOCCO)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414743559 386336197 /nfs/dbraw/zinc/33/61/97/386336197.db2.gz HIDLTOBFFYLGOG-STQMWFEESA-N 2 0 244.379 0.705 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335276667 386337696 /nfs/dbraw/zinc/33/76/96/386337696.db2.gz PLEQDPXFKGIJRZ-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000647992609 386448224 /nfs/dbraw/zinc/44/82/24/386448224.db2.gz RIZUEMNSFVPHKA-UTUOFQBUSA-N 2 0 211.353 0.513 20 0 BCADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000414753215 386387815 /nfs/dbraw/zinc/38/78/15/386387815.db2.gz LXRPECMORBYHJA-CMPLNLGQSA-N 2 0 227.352 0.557 20 0 BCADRP C[N@H+](CCO)C1CCN(Cc2ccncc2)CC1 ZINC000265985596 386390036 /nfs/dbraw/zinc/39/00/36/386390036.db2.gz CVCBMIZXLFXXMD-UHFFFAOYSA-N 2 0 249.358 0.970 20 0 BCADRP COC[C@@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000647891620 386392747 /nfs/dbraw/zinc/39/27/47/386392747.db2.gz YLFDSOOLOLYILX-LBPRGKRZSA-N 2 0 227.352 0.002 20 0 BCADRP CC[NH+](CC)CCCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000416825023 386393215 /nfs/dbraw/zinc/39/32/15/386393215.db2.gz YPJNGOHIQBYZGZ-GHMZBOCLSA-N 2 0 244.383 0.753 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000347417952 386398258 /nfs/dbraw/zinc/39/82/58/386398258.db2.gz QHNTVHVSNSQIIM-YNEHKIRRSA-N 2 0 244.379 0.704 20 0 BCADRP CN(CC[NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000416867969 386406178 /nfs/dbraw/zinc/40/61/78/386406178.db2.gz DNRUWVHACAMVJK-UHFFFAOYSA-N 2 0 242.367 0.463 20 0 BCADRP C[C@@H]1C[C@H](C[N@H+]2C[C@H](CO)O[C@@H](C)C2)CC[NH2+]1 ZINC000414759398 386411341 /nfs/dbraw/zinc/41/13/41/386411341.db2.gz OERQXWCSONKEJI-YVECIDJPSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000647991490 386415807 /nfs/dbraw/zinc/41/58/07/386415807.db2.gz AAICWXISPYJSTN-GHMZBOCLSA-N 2 0 208.309 0.471 20 0 BCADRP C[N@H+](CCN1C(=O)CCC1=O)CC(C)(C)C[NH3+] ZINC000093874376 386430839 /nfs/dbraw/zinc/43/08/39/386430839.db2.gz LNOWHQFVCKZJKR-UHFFFAOYSA-N 2 0 241.335 0.052 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CC[NH2+]C[C@](C)(F)C1 ZINC000414766189 386432528 /nfs/dbraw/zinc/43/25/28/386432528.db2.gz DHLRTJIYFUWXCI-RYUDHWBXSA-N 2 0 231.359 0.993 20 0 BCADRP C[C@]1(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC[NH2+]C1 ZINC000414766228 386434067 /nfs/dbraw/zinc/43/40/67/386434067.db2.gz HGUSKSVSVUMTLE-MJBXVCDLSA-N 3 0 237.391 0.917 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C)C[NH3+] ZINC000417001094 386435998 /nfs/dbraw/zinc/43/59/98/386435998.db2.gz DPUSTDZOVCVXTG-GHMZBOCLSA-N 2 0 244.383 0.611 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000417284874 386472824 /nfs/dbraw/zinc/47/28/24/386472824.db2.gz KLBVFHNUYLTPPD-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000417285367 386475182 /nfs/dbraw/zinc/47/51/82/386475182.db2.gz LKMCPDMLGXTMTR-GHMZBOCLSA-N 2 0 242.367 0.378 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000399278346 386475739 /nfs/dbraw/zinc/47/57/39/386475739.db2.gz YXZAAMHPZMNKIO-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000417286446 386475784 /nfs/dbraw/zinc/47/57/84/386475784.db2.gz MXKDHLFRMPPUHX-GHMZBOCLSA-N 2 0 242.367 0.235 20 0 BCADRP C[C@@H](NC(=O)NCC[N@H+](C)C1CC1)[C@H](C)[NH3+] ZINC000417632819 386478085 /nfs/dbraw/zinc/47/80/85/386478085.db2.gz XIWYZYKOGBENLU-DTWKUNHWSA-N 2 0 228.340 0.116 20 0 BCADRP Cn1nnc2cc(C[N@H+](C)C3CC([NH3+])C3)ccc21 ZINC000414777281 386479359 /nfs/dbraw/zinc/47/93/59/386479359.db2.gz ONGLALKPPPCQSD-UHFFFAOYSA-N 2 0 245.330 0.890 20 0 BCADRP CO[C@@H]1CCN(CC[NH2+]C(C)(C)C)[C@H](C[NH3+])C1 ZINC000519542785 386481223 /nfs/dbraw/zinc/48/12/23/386481223.db2.gz HZBRERIYEGVZIN-NWDGAFQWSA-N 2 0 243.395 0.813 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)N[C@H](C)CC[NH+](C)C ZINC000417315837 386482404 /nfs/dbraw/zinc/48/24/04/386482404.db2.gz DDOMAIBLFMOBJU-GHMZBOCLSA-N 2 0 244.383 0.481 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000335430636 386486013 /nfs/dbraw/zinc/48/60/13/386486013.db2.gz SKFAHXYKUKJJMS-SKDRFNHKSA-N 2 0 233.315 0.418 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000335431460 386488742 /nfs/dbraw/zinc/48/87/42/386488742.db2.gz WNGOQHRPAWNUGK-ZWNOBZJWSA-N 2 0 247.342 0.666 20 0 BCADRP COC(=O)C(C)(C)CC[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415011416 386490514 /nfs/dbraw/zinc/49/05/14/386490514.db2.gz HUOXRXUKFPYZQE-DTWKUNHWSA-N 2 0 216.325 0.901 20 0 BCADRP C[C@@H]([NH2+][C@H]1CN(C)C[C@H]1C)[C@@H]1CCOC1 ZINC000336756448 386492834 /nfs/dbraw/zinc/49/28/34/386492834.db2.gz JKQCCHBYZZFHHK-KKOKHZNYSA-N 2 0 212.337 0.951 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417320445 386495157 /nfs/dbraw/zinc/49/51/57/386495157.db2.gz QBXXNKLIWFFKBO-WDEREUQCSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417317727 386495665 /nfs/dbraw/zinc/49/56/65/386495665.db2.gz JTMUMCRBOWDRPQ-DCAQKATOSA-N 2 0 242.367 0.458 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000519598984 386498221 /nfs/dbraw/zinc/49/82/21/386498221.db2.gz KGIDQINRIRXLRZ-JQWIXIFHSA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000519597855 386500188 /nfs/dbraw/zinc/50/01/88/386500188.db2.gz YASLXSDDXXJJRB-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP C(C[NH2+][C@@H]1CCCSC1)CN1CC[NH2+]CC1 ZINC000414781202 386500665 /nfs/dbraw/zinc/50/06/65/386500665.db2.gz MWKPWLWRNXYHFM-GFCCVEGCSA-N 2 0 243.420 0.767 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000335453830 386529633 /nfs/dbraw/zinc/52/96/33/386529633.db2.gz FRABWKBMHQJZJF-TXEJJXNPSA-N 2 0 239.363 0.524 20 0 BCADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000062113124 386502339 /nfs/dbraw/zinc/50/23/39/386502339.db2.gz MWPBPHAZQDQRBD-NWDGAFQWSA-N 2 0 241.379 0.688 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335441587 386502612 /nfs/dbraw/zinc/50/26/12/386502612.db2.gz DSAAPXPZEWXLSL-WDEREUQCSA-N 2 0 225.336 0.054 20 0 BCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000062114228 386503423 /nfs/dbraw/zinc/50/34/23/386503423.db2.gz YNBFXLFZBWQIIP-WDEREUQCSA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+]CC1(CN2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000335447622 386513527 /nfs/dbraw/zinc/51/35/27/386513527.db2.gz FGVNDUHRSHXJBX-WDEREUQCSA-N 3 0 209.337 0.409 20 0 BCADRP C[C@H]1C[C@H](C[NH+]2CCC([NH3+])CC2)CC[NH2+]1 ZINC000335447258 386514582 /nfs/dbraw/zinc/51/45/82/386514582.db2.gz BFSSXUKCRBIFMR-WDEREUQCSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]1C[C@H](C[NH+]2CCC([NH3+])CC2)CC[NH2+]1 ZINC000335447255 386514884 /nfs/dbraw/zinc/51/48/84/386514884.db2.gz BFSSXUKCRBIFMR-GHMZBOCLSA-N 2 0 211.353 0.798 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000335448393 386517199 /nfs/dbraw/zinc/51/71/99/386517199.db2.gz PLADRHMXQQUAPB-NEPJUHHUSA-N 3 0 211.353 0.846 20 0 BCADRP Cc1c[nH]nc1CN1CCC[C@@H](C[NH3+])C1 ZINC000335448792 386517442 /nfs/dbraw/zinc/51/74/42/386517442.db2.gz SOJOAZUDKUEHDJ-JTQLQIEISA-N 2 0 208.309 0.889 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000335448766 386517627 /nfs/dbraw/zinc/51/76/27/386517627.db2.gz RZMPJRNAERBYRV-JQWIXIFHSA-N 3 0 211.353 0.716 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000335448394 386517966 /nfs/dbraw/zinc/51/79/66/386517966.db2.gz PLADRHMXQQUAPB-NWDGAFQWSA-N 3 0 211.353 0.846 20 0 BCADRP CCOC[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414787063 386519854 /nfs/dbraw/zinc/51/98/54/386519854.db2.gz YGINTSVBPGOMTO-GFCCVEGCSA-N 2 0 229.368 0.296 20 0 BCADRP C[C@H](CC1CCOCC1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415037795 386524713 /nfs/dbraw/zinc/52/47/13/386524713.db2.gz NIHQVGGMRIARPQ-XEZLXBQYSA-N 2 0 224.348 0.999 20 0 BCADRP CC(C)C[C@H](C)C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000414786494 386525442 /nfs/dbraw/zinc/52/54/42/386525442.db2.gz MFBOBUKFRHCLEV-SDDRHHMPSA-N 2 0 214.353 0.839 20 0 BCADRP C[C@H](C[NH2+][C@H](C)CC(N)=O)C[NH+]1CCCC1 ZINC000336754833 386525898 /nfs/dbraw/zinc/52/58/98/386525898.db2.gz XIUDMTXVXCPLBG-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC[N@H+](C)CCOC ZINC000061380738 386455785 /nfs/dbraw/zinc/45/57/85/386455785.db2.gz UXUOYTUWAYEYEF-LBPRGKRZSA-N 2 0 245.367 0.198 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH3+])[NH+]1CCCCC1 ZINC000347661965 386460966 /nfs/dbraw/zinc/46/09/66/386460966.db2.gz YMMUABBBIRLZRT-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000059931406 386463464 /nfs/dbraw/zinc/46/34/64/386463464.db2.gz RYQYUAPOYWYKQE-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000094647863 386465069 /nfs/dbraw/zinc/46/50/69/386465069.db2.gz MKBCRCGSFPBDHX-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)NCC[N@H+](C)C1CC1 ZINC000417626999 386465897 /nfs/dbraw/zinc/46/58/97/386465897.db2.gz OXNZSARHDOWBLT-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH3+] ZINC000417698042 386574267 /nfs/dbraw/zinc/57/42/67/386574267.db2.gz IQJOJBPHRCJDIO-NSHDSACASA-N 2 0 242.367 0.509 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000335412047 386575367 /nfs/dbraw/zinc/57/53/67/386575367.db2.gz AOEYGZXBPTYHDF-LLVKDONJSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000335414134 386580280 /nfs/dbraw/zinc/58/02/80/386580280.db2.gz MVDOAXCUFMXYCS-ZJUUUORDSA-N 2 0 228.340 0.069 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000647779459 386580675 /nfs/dbraw/zinc/58/06/75/386580675.db2.gz KQVJWNUFXLSUPI-PWSUYJOCSA-N 2 0 225.336 0.196 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000335418730 386587915 /nfs/dbraw/zinc/58/79/15/386587915.db2.gz SXFJPEHXIUBHDT-NWDGAFQWSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H]([NH3+])C1)[NH+]1CCCCCC1 ZINC000237390960 386590156 /nfs/dbraw/zinc/59/01/56/386590156.db2.gz KDKMAJQKHGVSEF-VXGBXAGGSA-N 2 0 239.363 0.811 20 0 BCADRP [NH3+]C1(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000335420776 386591558 /nfs/dbraw/zinc/59/15/58/386591558.db2.gz AEZXIDUXOXBUJV-LBPRGKRZSA-N 2 0 237.347 0.470 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)C12CCC[NH+]1CCC2 ZINC000335423552 386598845 /nfs/dbraw/zinc/59/88/45/386598845.db2.gz AWKIOQJKENERLA-UHFFFAOYSA-N 2 0 249.358 0.651 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000335455205 386530736 /nfs/dbraw/zinc/53/07/36/386530736.db2.gz OEDNYYBWTIPGJM-TXEJJXNPSA-N 2 0 237.347 0.278 20 0 BCADRP C[C@@]1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]C1 ZINC000062902560 386532125 /nfs/dbraw/zinc/53/21/25/386532125.db2.gz LXBXADPUNNTOBY-GXFFZTMASA-N 2 0 237.347 0.339 20 0 BCADRP O=C(CCC1CC[NH2+]CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366483949 386533211 /nfs/dbraw/zinc/53/32/11/386533211.db2.gz ZNQHNTRVDQDSSF-PJXYFTJBSA-N 2 0 237.347 0.100 20 0 BCADRP C[N@H+](CCNC(=O)[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000062910529 386533248 /nfs/dbraw/zinc/53/32/48/386533248.db2.gz VCFVIRFWTYHUAN-GFCCVEGCSA-N 2 0 225.336 0.196 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)CCC[NH3+])C1 ZINC000062972712 386534200 /nfs/dbraw/zinc/53/42/00/386534200.db2.gz YXVYQCVEVVCZGD-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973548 386535506 /nfs/dbraw/zinc/53/55/06/386535506.db2.gz MUZHRFPJDMIHDO-NEPJUHHUSA-N 2 0 239.363 0.668 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000062972539 386535663 /nfs/dbraw/zinc/53/56/63/386535663.db2.gz PISBFLKPNWOLSG-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000062972564 386535871 /nfs/dbraw/zinc/53/58/71/386535871.db2.gz BLAHZEGQBYVESY-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973547 386536341 /nfs/dbraw/zinc/53/63/41/386536341.db2.gz MUZHRFPJDMIHDO-RYUDHWBXSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415056528 386537515 /nfs/dbraw/zinc/53/75/15/386537515.db2.gz QYPBQKUWGPTRCQ-BJDJZHNGSA-N 3 0 211.353 0.796 20 0 BCADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000063122307 386538000 /nfs/dbraw/zinc/53/80/00/386538000.db2.gz LBGNXUMAOZDNET-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)[C@](C)(CN)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000519707699 386540613 /nfs/dbraw/zinc/54/06/13/386540613.db2.gz FYUMCHOAHKYGKW-RYUDHWBXSA-N 2 0 213.369 0.949 20 0 BCADRP CC[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178380 386541367 /nfs/dbraw/zinc/54/13/67/386541367.db2.gz NWMNPVYXQURMMZ-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP c1cn([C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)nn1 ZINC000647995209 386544332 /nfs/dbraw/zinc/54/43/32/386544332.db2.gz FMLHHKZPTUHFEU-VXGBXAGGSA-N 2 0 235.335 0.525 20 0 BCADRP c1cn([C@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)nn1 ZINC000647995208 386544414 /nfs/dbraw/zinc/54/44/14/386544414.db2.gz FMLHHKZPTUHFEU-RYUDHWBXSA-N 2 0 235.335 0.525 20 0 BCADRP [NH3+]CC1(CC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000335462369 386546387 /nfs/dbraw/zinc/54/63/87/386546387.db2.gz FMLRYWFHMYAXMJ-UHFFFAOYSA-N 2 0 237.347 0.422 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)CC[C@@H](C)[NH3+])C1 ZINC000193321346 386547846 /nfs/dbraw/zinc/54/78/46/386547846.db2.gz JIINUHQGBYVVOU-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000335465434 386552202 /nfs/dbraw/zinc/55/22/02/386552202.db2.gz SJRIXOOKJQKBPS-PHIMTYICSA-N 2 0 237.347 0.326 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000417691009 386558460 /nfs/dbraw/zinc/55/84/60/386558460.db2.gz WHGASBCUZGGCSF-SNVBAGLBSA-N 2 0 240.351 0.132 20 0 BCADRP CCOc1cccc(CN(C)C[C@@H](O)C[NH3+])n1 ZINC000415070926 386559330 /nfs/dbraw/zinc/55/93/30/386559330.db2.gz RPUXEZJEASOOGF-NSHDSACASA-N 2 0 239.319 0.232 20 0 BCADRP CCOc1cccc(CN(C)C[C@H](O)C[NH3+])n1 ZINC000415070924 386559914 /nfs/dbraw/zinc/55/99/14/386559914.db2.gz RPUXEZJEASOOGF-LLVKDONJSA-N 2 0 239.319 0.232 20 0 BCADRP O=C(NCC1CC[NH2+]CC1)[C@@H]1CCCCC[NH2+]1 ZINC000519812077 386560630 /nfs/dbraw/zinc/56/06/30/386560630.db2.gz AQRMJSWPPIMRKP-LBPRGKRZSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]CCCNc1ccccn1 ZINC000267613521 386563838 /nfs/dbraw/zinc/56/38/38/386563838.db2.gz RYNBQQYXQNRYPN-SNVBAGLBSA-N 2 0 236.319 0.737 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000519830905 386565565 /nfs/dbraw/zinc/56/55/65/386565565.db2.gz ZBUAEQQKHIGLRY-CHWSQXEVSA-N 2 0 225.380 0.917 20 0 BCADRP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000335407075 386567312 /nfs/dbraw/zinc/56/73/12/386567312.db2.gz QXZDIYXVEFDTTQ-ZDUSSCGKSA-N 2 0 247.342 0.921 20 0 BCADRP C[N@H+](CCNC(=O)[C@@]1(C)CCCC[NH2+]1)C1CC1 ZINC000136205393 386568985 /nfs/dbraw/zinc/56/89/85/386568985.db2.gz ZFTCZEDJGNXLOT-CYBMUJFWSA-N 2 0 239.363 0.729 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903582 386569476 /nfs/dbraw/zinc/56/94/76/386569476.db2.gz MLVUMULLRUAJGS-STQMWFEESA-N 3 0 241.379 0.426 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000335410728 386572892 /nfs/dbraw/zinc/57/28/92/386572892.db2.gz SUFDHZUUJNRZAG-GXSJLCMTSA-N 2 0 225.336 0.311 20 0 BCADRP C[C@@]1(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)CC[NH2+]C1 ZINC000415110821 386619376 /nfs/dbraw/zinc/61/93/76/386619376.db2.gz QRZMBXQULDXMLT-ZWNOBZJWSA-N 2 0 237.347 0.339 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062904263 386655565 /nfs/dbraw/zinc/65/55/65/386655565.db2.gz MRDQLRKOBNALTA-NSHDSACASA-N 2 0 213.325 0.054 20 0 BCADRP C[NH2+]CCCN(C)CC[NH2+]C(C)(C)C ZINC000415125063 386628514 /nfs/dbraw/zinc/62/85/14/386628514.db2.gz NPCWADDXXFXYNF-UHFFFAOYSA-N 2 0 201.358 0.916 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000353162956 386632614 /nfs/dbraw/zinc/63/26/14/386632614.db2.gz BJSHCBVAADQSIH-WDEREUQCSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000335505813 386635952 /nfs/dbraw/zinc/63/59/52/386635952.db2.gz SUXKECKJDOKYLI-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP COC(=O)[C@@H]1CSCC[N@H+](CCC[NH3+])C1 ZINC000415143546 386640863 /nfs/dbraw/zinc/64/08/63/386640863.db2.gz SUYHKJJBQRYATA-VIFPVBQESA-N 2 0 232.349 0.173 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000049575441 386647618 /nfs/dbraw/zinc/64/76/18/386647618.db2.gz NQRPKESCGQSVMN-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000366496870 386602465 /nfs/dbraw/zinc/60/24/65/386602465.db2.gz KURLBDPVAZLQPB-GRYCIOLGSA-N 2 0 239.363 0.570 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000366498485 386606090 /nfs/dbraw/zinc/60/60/90/386606090.db2.gz TYNLBSAKSQPWRY-GRYCIOLGSA-N 2 0 237.347 0.196 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000366498487 386606190 /nfs/dbraw/zinc/60/61/90/386606190.db2.gz TYNLBSAKSQPWRY-UTUOFQBUSA-N 2 0 237.347 0.196 20 0 BCADRP COC(=O)c1cc(CN[C@H](C)C[NH3+])oc1C ZINC000414923951 386614057 /nfs/dbraw/zinc/61/40/57/386614057.db2.gz FUCMJBQFKSMEBA-SSDOTTSWSA-N 2 0 226.276 0.811 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000120178569 386663689 /nfs/dbraw/zinc/66/36/89/386663689.db2.gz OCMQGSDZOOEWCP-GHMZBOCLSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[NH2+]C1)[C@H]([NH3+])c1ccccc1 ZINC000246569490 386664134 /nfs/dbraw/zinc/66/41/34/386664134.db2.gz BLYYWDKBJQXLNE-DRZSPHRISA-N 2 0 247.342 0.801 20 0 BCADRP CC(C)C[C@@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)[NH+](C)C ZINC000520412220 386669513 /nfs/dbraw/zinc/66/95/13/386669513.db2.gz PIOTXJJXEDRUJF-TUAOUCFPSA-N 2 0 241.379 0.816 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000520409856 386669924 /nfs/dbraw/zinc/66/99/24/386669924.db2.gz ZOYXZAXXUPKJKY-BKUVIOGVSA-N 2 0 237.347 0.182 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CC[NH2+]C1CC1 ZINC000520428523 386671526 /nfs/dbraw/zinc/67/15/26/386671526.db2.gz XFISDRNZVAYKGK-JTQLQIEISA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H](N[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000414822158 386672152 /nfs/dbraw/zinc/67/21/52/386672152.db2.gz MRENSVCVAWEWBS-SRVKXCTJSA-N 2 0 211.353 0.716 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000042166245 386674696 /nfs/dbraw/zinc/67/46/96/386674696.db2.gz IMVYQVCLMZKTGL-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP CC[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000042308885 386679392 /nfs/dbraw/zinc/67/93/92/386679392.db2.gz TXZCQXYIKAVAQL-ZDUSSCGKSA-N 2 0 241.379 0.393 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000335481692 386709530 /nfs/dbraw/zinc/70/95/30/386709530.db2.gz XQJGGKHXYBVCJE-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000335471061 386690802 /nfs/dbraw/zinc/69/08/02/386690802.db2.gz BNEHBUZQAHTYEZ-PWSUYJOCSA-N 2 0 237.347 0.410 20 0 BCADRP CN(C(=O)C[C@@H]1CCCC[C@@H]1[NH3+])[C@H]1CC[NH2+]C1 ZINC000520547802 386696064 /nfs/dbraw/zinc/69/60/64/386696064.db2.gz LBALNSGCCIYFSN-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000335476535 386701096 /nfs/dbraw/zinc/70/10/96/386701096.db2.gz CYRIANXMVJSMDN-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP O=C(C[NH2+]CC1CC1)NCCC[C@H]1CCC[NH2+]1 ZINC000520580634 386701631 /nfs/dbraw/zinc/70/16/31/386701631.db2.gz DGPCCFVFQJXMED-GFCCVEGCSA-N 2 0 239.363 0.634 20 0 BCADRP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C[C@@H](C)[NH3+] ZINC000335478233 386703092 /nfs/dbraw/zinc/70/30/92/386703092.db2.gz QXNKQSPHRKTEBP-GHMZBOCLSA-N 2 0 227.352 0.522 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000335478607 386705531 /nfs/dbraw/zinc/70/55/31/386705531.db2.gz ILUQILZXKBNRAY-NSHDSACASA-N 2 0 239.363 0.811 20 0 BCADRP C[NH2+]CCNCc1cnc2ccc(C)cn12 ZINC000414830266 386706823 /nfs/dbraw/zinc/70/68/23/386706823.db2.gz NUAHXQYQEWBOSM-UHFFFAOYSA-N 2 0 218.304 0.952 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000414830119 386707359 /nfs/dbraw/zinc/70/73/59/386707359.db2.gz BVWPXXWWDAYVOP-JTQLQIEISA-N 2 0 235.331 0.731 20 0 BCADRP C([NH2+]C[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000414837205 386734331 /nfs/dbraw/zinc/73/43/31/386734331.db2.gz VSKYECSSWFMLPS-LBPRGKRZSA-N 3 0 211.353 0.575 20 0 BCADRP C[C@@]1(C(=O)N2CCC[C@@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000237483929 386735783 /nfs/dbraw/zinc/73/57/83/386735783.db2.gz IAPLDIFXULNWMV-AAEUAGOBSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+][C@@H](CN[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000414840396 386739611 /nfs/dbraw/zinc/73/96/11/386739611.db2.gz XABGVIGUEMSMKL-NEPJUHHUSA-N 2 0 205.305 0.638 20 0 BCADRP Cn1cc([C@@H]2CC[N@H+](CCOCC[NH3+])C2)cn1 ZINC000357091051 386714524 /nfs/dbraw/zinc/71/45/24/386714524.db2.gz VTNGYJOLTXOURF-LLVKDONJSA-N 2 0 238.335 0.185 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000335485265 386714593 /nfs/dbraw/zinc/71/45/93/386714593.db2.gz CBBSNQVTQARQSS-LLVKDONJSA-N 2 0 244.298 0.768 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000417785968 386719006 /nfs/dbraw/zinc/71/90/06/386719006.db2.gz QIJWFWWQWJCWME-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726757 386727560 /nfs/dbraw/zinc/72/75/60/386727560.db2.gz LXPFDWQIWWBAST-MWLCHTKSSA-N 2 0 225.336 0.323 20 0 BCADRP CC[C@@H](C(=O)N1CC[NH2+]C(C)(C)C1)[NH+](C)C ZINC000335543239 386728546 /nfs/dbraw/zinc/72/85/46/386728546.db2.gz UIKWMGOQFPLCSU-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H]1CN(C(=O)C2(C)C[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000335544734 386729598 /nfs/dbraw/zinc/72/95/98/386729598.db2.gz WJHQOZFLEPMFLJ-MWLCHTKSSA-N 2 0 225.336 0.039 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000357241175 386745661 /nfs/dbraw/zinc/74/56/61/386745661.db2.gz MQHMDAOLYRUGDU-GMTAPVOTSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000357253951 386747094 /nfs/dbraw/zinc/74/70/94/386747094.db2.gz XOUNVTPTMWGLGA-ONGXEEELSA-N 2 0 225.336 0.276 20 0 BCADRP C(C[C@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCCNC1 ZINC000414842042 386747903 /nfs/dbraw/zinc/74/79/03/386747903.db2.gz OSSLPOQBMOSACT-VXGBXAGGSA-N 2 0 211.353 0.718 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000366531524 386753227 /nfs/dbraw/zinc/75/32/27/386753227.db2.gz RSHHFTRIHQNWOF-WRWGMCAJSA-N 2 0 237.347 0.324 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000366534401 386762181 /nfs/dbraw/zinc/76/21/81/386762181.db2.gz ULRCISZYMVWNDF-XQHKEYJVSA-N 2 0 245.326 0.329 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000417801538 386763815 /nfs/dbraw/zinc/76/38/15/386763815.db2.gz UJWPBZMBUDYUOK-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP CCO[C@H](CC[NH+](C)C)CNC(=O)CC[NH2+]C ZINC000357225452 386741464 /nfs/dbraw/zinc/74/14/64/386741464.db2.gz NHLRMYPSFSGCAD-LLVKDONJSA-N 2 0 245.367 0.069 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000357246600 386744154 /nfs/dbraw/zinc/74/41/54/386744154.db2.gz YHAQOZXAIBOEAY-VXGBXAGGSA-N 2 0 239.363 0.526 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417828377 386791391 /nfs/dbraw/zinc/79/13/91/386791391.db2.gz FNDPLQUSUJXMLY-ATZCPNFKSA-N 2 0 213.325 0.452 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000417831631 386792896 /nfs/dbraw/zinc/79/28/96/386792896.db2.gz HZJOHFQXYVMSHM-NTZNESFSSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417834684 386793269 /nfs/dbraw/zinc/79/32/69/386793269.db2.gz NGLJKVQCBPEVKT-UWVGGRQHSA-N 2 0 213.325 0.357 20 0 BCADRP CC1(C)CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC000417834674 386793765 /nfs/dbraw/zinc/79/37/65/386793765.db2.gz NFHKGFPXVDVZOQ-GHMZBOCLSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H](C(=O)N[C@H](C[NH3+])C1CCCC1)[C@H](C)[NH3+] ZINC000417832670 386793922 /nfs/dbraw/zinc/79/39/22/386793922.db2.gz LJVXIWMVLPILHU-WCABBAIRSA-N 2 0 227.352 0.603 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000019410008 386778842 /nfs/dbraw/zinc/77/88/42/386778842.db2.gz LLCZNYYPOICZCT-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)C[C@H]([NH3+])CN[C@H]1C[NH2+]CC[C@H]1C ZINC000414934233 386796635 /nfs/dbraw/zinc/79/66/35/386796635.db2.gz SRCKGMWQXUCFAY-WOPDTQHZSA-N 2 0 213.369 0.947 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NCC[NH2+]C(C)(C)C ZINC000414933312 386787556 /nfs/dbraw/zinc/78/75/56/386787556.db2.gz DPOSZPYINFRROA-WDEREUQCSA-N 2 0 213.369 0.962 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)NCC[NH2+]C ZINC000417806220 386787589 /nfs/dbraw/zinc/78/75/89/386787589.db2.gz AQXFERMRKZEHSY-UHFFFAOYSA-N 2 0 230.356 0.237 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)NCC(C)(C)[NH3+] ZINC000417809259 386787832 /nfs/dbraw/zinc/78/78/32/386787832.db2.gz GSQZHUAHILSNAA-UHFFFAOYSA-N 2 0 244.383 0.755 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NCC[NH2+]C(C)(C)C ZINC000414933309 386788488 /nfs/dbraw/zinc/78/84/88/386788488.db2.gz DPOSZPYINFRROA-GHMZBOCLSA-N 2 0 213.369 0.962 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000417811261 386789300 /nfs/dbraw/zinc/78/93/00/386789300.db2.gz JJRMIORAVYCJPL-MNOVXSKESA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000418000671 386818145 /nfs/dbraw/zinc/81/81/45/386818145.db2.gz JRPMIOZISLCSCU-MXWKQRLJSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]1[C@H](NC(=O)NCCCC[NH3+])CCC[N@@H+]1C ZINC000418001876 386819981 /nfs/dbraw/zinc/81/99/81/386819981.db2.gz LHSVKJZYNUJREQ-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000417843085 386799250 /nfs/dbraw/zinc/79/92/50/386799250.db2.gz QGRYNMNPOMQDKO-WCBMZHEXSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000417845128 386799367 /nfs/dbraw/zinc/79/93/67/386799367.db2.gz RWXJPQJWJASXNG-MXWKQRLJSA-N 2 0 241.379 0.864 20 0 BCADRP CC1(C)CN(C(=O)C[NH2+]CC2CC2)CC[NH2+]1 ZINC000417841266 386799801 /nfs/dbraw/zinc/79/98/01/386799801.db2.gz SWANTDQEZIPTQN-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000417843083 386800195 /nfs/dbraw/zinc/80/01/95/386800195.db2.gz QGRYNMNPOMQDKO-PSASIEDQSA-N 2 0 227.352 0.617 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000417853328 386801445 /nfs/dbraw/zinc/80/14/45/386801445.db2.gz OVTQZVNOWXCZIB-KXUCPTDWSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000417852302 386801489 /nfs/dbraw/zinc/80/14/89/386801489.db2.gz ZEOLCWVBTOMMQW-VHSXEESVSA-N 2 0 229.368 0.707 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCC[NH3+])C1 ZINC000417853827 386802247 /nfs/dbraw/zinc/80/22/47/386802247.db2.gz PNYJYRKKZCGUSG-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H](NC(=O)NCC[NH3+])C(C)(C)C[NH+](C)C ZINC000417851825 386802989 /nfs/dbraw/zinc/80/29/89/386802989.db2.gz GRMATFYUMXZWMI-VIFPVBQESA-N 2 0 230.356 0.221 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cnn(C)c1 ZINC000300011576 386802956 /nfs/dbraw/zinc/80/29/56/386802956.db2.gz PBJHKBRSPOEEHF-WCQYABFASA-N 2 0 236.363 0.892 20 0 BCADRP C[C@H]1[C@H](NC(=O)NC(C)(C)C[NH3+])CCC[N@@H+]1C ZINC000417995309 386803687 /nfs/dbraw/zinc/80/36/87/386803687.db2.gz DCIWVOPFYACCMP-VHSXEESVSA-N 2 0 242.367 0.506 20 0 BCADRP CC[C@H](C(=O)N(CC)CC[NH3+])[NH+](CC)CC ZINC000638517262 386803783 /nfs/dbraw/zinc/80/37/83/386803783.db2.gz PYTWMIDBAVYARY-LLVKDONJSA-N 2 0 229.368 0.914 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000417857623 386804201 /nfs/dbraw/zinc/80/42/01/386804201.db2.gz UEJLKGVUHLLZJJ-KYXWUPHJSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000417847424 386804536 /nfs/dbraw/zinc/80/45/36/386804536.db2.gz UQOWEOKDLFITBD-XWLWVQCSSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417859254 386804923 /nfs/dbraw/zinc/80/49/23/386804923.db2.gz VXPASFQRDMKGIO-GUBZILKMSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]([NH3+])c1ccccc1 ZINC000417846281 386806212 /nfs/dbraw/zinc/80/62/12/386806212.db2.gz TVRLAPHLYGQFSS-ZMLRMANQSA-N 2 0 233.315 0.635 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])C[C@@H]1[NH3+] ZINC000417846237 386806314 /nfs/dbraw/zinc/80/63/14/386806314.db2.gz YJXUGUOGOYRYTO-KXNHARMFSA-N 2 0 239.363 0.700 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(CC)CC[NH3+] ZINC000638517355 386806780 /nfs/dbraw/zinc/80/67/80/386806780.db2.gz SEJSNAXKTGYSBU-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(CC)CC[NH3+] ZINC000638517353 386807360 /nfs/dbraw/zinc/80/73/60/386807360.db2.gz SEJSNAXKTGYSBU-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000341002197 386814949 /nfs/dbraw/zinc/81/49/49/386814949.db2.gz NKBHXAJPAHFVHY-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000366554728 386832684 /nfs/dbraw/zinc/83/26/84/386832684.db2.gz KVHSDMZGRGLWEH-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638970806 386839564 /nfs/dbraw/zinc/83/95/64/386839564.db2.gz XCNUIPOIVFBAMR-GUBZILKMSA-N 2 0 213.325 0.215 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CCC[NH2+]1 ZINC000331487660 386860402 /nfs/dbraw/zinc/86/04/02/386860402.db2.gz QRBDVYIRBHJQCN-IJLUTSLNSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@@H](C[C@H]1CCC[NH2+]1)NCC1([NH3+])CCC1 ZINC000331511617 386862606 /nfs/dbraw/zinc/86/26/06/386862606.db2.gz BKBAFQSWJFWZHG-WDEREUQCSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000418006955 386865992 /nfs/dbraw/zinc/86/59/92/386865992.db2.gz QQYHJHWXWYKTAM-GMTAPVOTSA-N 2 0 242.367 0.363 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)C1(C[NH3+])CCCC1 ZINC000336739143 386871956 /nfs/dbraw/zinc/87/19/56/386871956.db2.gz KXHMBSZROZWOOX-VIFPVBQESA-N 2 0 213.325 0.217 20 0 BCADRP FC1(F)CC[NH2+]C[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000334833310 386871886 /nfs/dbraw/zinc/87/18/86/386871886.db2.gz OXXPLKXAMGMBOD-RKDXNWHRSA-N 2 0 219.279 0.325 20 0 BCADRP FC1(F)CC[NH2+]C[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000334833308 386873052 /nfs/dbraw/zinc/87/30/52/386873052.db2.gz OXXPLKXAMGMBOD-DTWKUNHWSA-N 2 0 219.279 0.325 20 0 BCADRP [NH3+]CC1(CN2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000334839185 386882252 /nfs/dbraw/zinc/88/22/52/386882252.db2.gz YGNVINVTMFLDOG-ZDUSSCGKSA-N 2 0 223.364 0.801 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)N(C)CC[NH3+])CCC[N@@H+]1C ZINC000418009673 386885304 /nfs/dbraw/zinc/88/53/04/386885304.db2.gz UYIWQYBNIRAZBR-ZJUUUORDSA-N 2 0 228.340 0.069 20 0 BCADRP C[NH+](C)[C@@H](CNc1cc[nH+]cc1C(N)=O)C1CC1 ZINC000302012882 386895446 /nfs/dbraw/zinc/89/54/46/386895446.db2.gz DGECSFSPNKTHGY-LBPRGKRZSA-N 2 0 248.330 0.933 20 0 BCADRP FC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000334851514 386900588 /nfs/dbraw/zinc/90/05/88/386900588.db2.gz DCEIMOAHLXXWMF-LLVKDONJSA-N 2 0 216.300 0.656 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H](O)C2(CC2)C1 ZINC000334852656 386901982 /nfs/dbraw/zinc/90/19/82/386901982.db2.gz XDEIIEYJVORAAF-NWDGAFQWSA-N 2 0 224.348 0.927 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000341521253 386921104 /nfs/dbraw/zinc/92/11/04/386921104.db2.gz XWIQDKFHRDAXJD-NEPJUHHUSA-N 2 0 241.379 0.642 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1CN[C@@H]1CC[NH2+]C1 ZINC000334865364 386922331 /nfs/dbraw/zinc/92/23/31/386922331.db2.gz TXQRWKKFTDQXEI-MNOVXSKESA-N 2 0 211.353 0.716 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000331900796 386923296 /nfs/dbraw/zinc/92/32/96/386923296.db2.gz SFRUFWWBJNURCZ-GHMZBOCLSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CCCO[C@H](C[NH3+])C1 ZINC000331932526 386926705 /nfs/dbraw/zinc/92/67/05/386926705.db2.gz HSFOJIBNYISEDS-NWDGAFQWSA-N 2 0 229.368 0.409 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000334877926 386938344 /nfs/dbraw/zinc/93/83/44/386938344.db2.gz DQVLKDMXRQEOHT-VXGBXAGGSA-N 2 0 241.379 0.878 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000518939634 386942956 /nfs/dbraw/zinc/94/29/56/386942956.db2.gz OJSQWBSKDCNZNH-CYBMUJFWSA-N 2 0 241.379 0.880 20 0 BCADRP C[C@H](CO)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000332056505 386952445 /nfs/dbraw/zinc/95/24/45/386952445.db2.gz XIGBADMQDDUDEA-AXFHLTTASA-N 2 0 200.326 0.864 20 0 BCADRP [NH3+]C[C@H](NC(=O)N1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000332130606 386963137 /nfs/dbraw/zinc/96/31/37/386963137.db2.gz JROLYORBWLTUFM-MNOVXSKESA-N 2 0 240.351 0.247 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368368735 386967590 /nfs/dbraw/zinc/96/75/90/386967590.db2.gz DLBWGNHRGOIJTB-UKKRHICBSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000334930908 387007642 /nfs/dbraw/zinc/00/76/42/387007642.db2.gz BQDURYAMBQFWAW-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368388162 386969998 /nfs/dbraw/zinc/96/99/98/386969998.db2.gz PLJOUUNFVCMIHV-WOPDTQHZSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NCC1([NH3+])CCC1 ZINC000332422360 386980170 /nfs/dbraw/zinc/98/01/70/386980170.db2.gz CXHBVWQQPALXCE-GHMZBOCLSA-N 2 0 211.353 0.975 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)C[C@@H]21 ZINC000368610059 386994199 /nfs/dbraw/zinc/99/41/99/386994199.db2.gz CYNFDDZBUJJBTO-KXNHARMFSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)C[C@@H]21 ZINC000368610062 386994570 /nfs/dbraw/zinc/99/45/70/386994570.db2.gz CYNFDDZBUJJBTO-YFKTTZPYSA-N 2 0 237.347 0.324 20 0 BCADRP CC[C@]1(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)CCC[NH2+]1 ZINC000332615114 386996636 /nfs/dbraw/zinc/99/66/36/386996636.db2.gz DZUAMZHRRBMIQQ-JBLDHEPKSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368646320 386997299 /nfs/dbraw/zinc/99/72/99/386997299.db2.gz IZQIXNWHOBXIBW-GUBZILKMSA-N 2 0 231.315 0.176 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368645533 386997679 /nfs/dbraw/zinc/99/76/79/386997679.db2.gz GJDRWVLPSGDTCH-ZJUUUORDSA-N 2 0 225.336 0.228 20 0 BCADRP CCN1CCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000334928486 387003843 /nfs/dbraw/zinc/00/38/43/387003843.db2.gz DPZQWBZWDHLADM-UHFFFAOYSA-N 2 0 240.351 0.215 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)NCC2([NH3+])CCC2)C1 ZINC000334930169 387005539 /nfs/dbraw/zinc/00/55/39/387005539.db2.gz JRJDTJROTBGYPU-JTQLQIEISA-N 2 0 240.351 0.261 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCNC(=O)C2(C)C)CC[NH2+]1 ZINC000334821369 386950419 /nfs/dbraw/zinc/95/04/19/386950419.db2.gz YAEHNNJYBUQUKS-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC[NH2+]1 ZINC000334954889 387032894 /nfs/dbraw/zinc/03/28/94/387032894.db2.gz DOZYRUVQRMWWSF-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000126402610 387033773 /nfs/dbraw/zinc/03/37/73/387033773.db2.gz SRLFZJIUQILYHT-VHSXEESVSA-N 2 0 213.325 0.051 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000398998476 387035781 /nfs/dbraw/zinc/03/57/81/387035781.db2.gz BKLDRYRWUGVMHR-ZYHUDNBSSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000398997404 387037328 /nfs/dbraw/zinc/03/73/28/387037328.db2.gz ATLMNCJNGOLPSY-NSHDSACASA-N 2 0 227.352 0.570 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399002977 387039079 /nfs/dbraw/zinc/03/90/79/387039079.db2.gz UNPCSBYJPIQQGV-NEPJUHHUSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000334959589 387039880 /nfs/dbraw/zinc/03/98/80/387039880.db2.gz ARJXAHHYWXNJPS-AAEUAGOBSA-N 2 0 247.342 0.754 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000334962274 387043451 /nfs/dbraw/zinc/04/34/51/387043451.db2.gz URYYUBQEKQYESQ-QWHCGFSZSA-N 2 0 247.342 0.897 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333646538 387048470 /nfs/dbraw/zinc/04/84/70/387048470.db2.gz JCMRPHNPGOVSCQ-GHMZBOCLSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000333706998 387052497 /nfs/dbraw/zinc/05/24/97/387052497.db2.gz RQIHRPROKAAMJF-GARJFASQSA-N 2 0 240.351 0.130 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399085608 387054409 /nfs/dbraw/zinc/05/44/09/387054409.db2.gz RCUVZCWXJNYRQT-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000399079619 387054850 /nfs/dbraw/zinc/05/48/50/387054850.db2.gz RGBJSPIUJZSCNR-NEPJUHHUSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)NC[C@@H]2CCC[NH2+]2)[C@H]1C ZINC000333810374 387058320 /nfs/dbraw/zinc/05/83/20/387058320.db2.gz JDQJEGYGZHZDOA-DCAQKATOSA-N 2 0 240.351 0.130 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000228005597 387059931 /nfs/dbraw/zinc/05/99/31/387059931.db2.gz TYBYVUQANOMUIO-CMPLNLGQSA-N 2 0 241.379 0.816 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)CCC1 ZINC000648108597 387060042 /nfs/dbraw/zinc/06/00/42/387060042.db2.gz AYJLDQODAHZOST-MRVPVSSYSA-N 2 0 247.289 0.229 20 0 BCADRP C[C@@H]1OCC[C@]1(O)C[NH2+]C1CCN(C)CC1 ZINC000228058591 387064187 /nfs/dbraw/zinc/06/41/87/387064187.db2.gz HKHRDHDGUACDAV-JQWIXIFHSA-N 2 0 228.336 0.210 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)N[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000333859235 387064464 /nfs/dbraw/zinc/06/44/64/387064464.db2.gz RQIHRPROKAAMJF-VWYCJHECSA-N 2 0 240.351 0.130 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000334934642 387010623 /nfs/dbraw/zinc/01/06/23/387010623.db2.gz XIUXAHOGGKUNFW-GHMZBOCLSA-N 2 0 240.351 0.132 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000334934371 387010629 /nfs/dbraw/zinc/01/06/29/387010629.db2.gz APCOAERMMSLTSL-QWRGUYRKSA-N 2 0 240.351 0.084 20 0 BCADRP CC1=CC[N@H+](CCNC(=O)N[C@H](C)C[NH3+])CC1 ZINC000418021421 387015764 /nfs/dbraw/zinc/01/57/64/387015764.db2.gz JIXZSNUXXAGTOL-LLVKDONJSA-N 2 0 240.351 0.285 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000334940307 387017199 /nfs/dbraw/zinc/01/71/99/387017199.db2.gz WTPYNROUIZFUNY-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@H](CNC(=O)N[C@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000333138461 387018721 /nfs/dbraw/zinc/01/87/21/387018721.db2.gz CRHFCXFVPZVQMZ-ZJUUUORDSA-N 2 0 240.351 0.130 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298586 387021522 /nfs/dbraw/zinc/02/15/22/387021522.db2.gz ITWXETUCGMFYHU-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)C ZINC000358842177 387021811 /nfs/dbraw/zinc/02/18/11/387021811.db2.gz WQTQURUGMKKYMM-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000519165901 387024409 /nfs/dbraw/zinc/02/44/09/387024409.db2.gz IAOJOXKQWMIUQB-RVMXOQNASA-N 3 0 241.379 0.016 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000333282463 387024915 /nfs/dbraw/zinc/02/49/15/387024915.db2.gz MRVIPYMXZGTSPO-TUAOUCFPSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CC(=O)NCC2(C)C)CC[NH2+]1 ZINC000334882570 387025388 /nfs/dbraw/zinc/02/53/88/387025388.db2.gz PKUPXOQWRRPMQA-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP O=C(NCC1C[NH2+]C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000648105888 387028515 /nfs/dbraw/zinc/02/85/15/387028515.db2.gz DNNVAUUKZYKXGU-TUAOUCFPSA-N 2 0 237.347 0.243 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)NCC2C[NH2+]C2)cc1 ZINC000648105982 387028671 /nfs/dbraw/zinc/02/86/71/387028671.db2.gz WTJMHAPSDGHYRI-LBPRGKRZSA-N 2 0 233.315 0.330 20 0 BCADRP C[C@]([NH3+])(C(=O)NCC1C[NH2+]C1)c1ccccc1 ZINC000648105958 387029158 /nfs/dbraw/zinc/02/91/58/387029158.db2.gz RFZOREGTPNNWPC-CYBMUJFWSA-N 2 0 233.315 0.196 20 0 BCADRP [NH3+][C@@H]1C[C@H](NC[C@@H]2C[NH2+]CCO2)c2ccccc21 ZINC000333890624 387072472 /nfs/dbraw/zinc/07/24/72/387072472.db2.gz YDBNKPLEJUWKTN-GDLCADMTSA-N 2 0 247.342 0.709 20 0 BCADRP C[NH+](C)C1(CNC(=O)NC(C)(C)C[NH3+])CCC1 ZINC000418054256 387077444 /nfs/dbraw/zinc/07/74/44/387077444.db2.gz FHHWBIBWDAXGQG-UHFFFAOYSA-N 2 0 242.367 0.507 20 0 BCADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCN1CCOCC1 ZINC000111380599 387077967 /nfs/dbraw/zinc/07/79/67/387077967.db2.gz RALICVUTQVIZGI-ZDUSSCGKSA-N 2 0 241.379 0.522 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000648111250 387081326 /nfs/dbraw/zinc/08/13/26/387081326.db2.gz BEDWCDWMEWTRFT-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](CCN2CCOCC2)CC1 ZINC000111612065 387085216 /nfs/dbraw/zinc/08/52/16/387085216.db2.gz DUAARYBFVWPAKA-LBPRGKRZSA-N 2 0 241.379 0.378 20 0 BCADRP C[C@@H](C(=O)N(C)C)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334995259 387086731 /nfs/dbraw/zinc/08/67/31/387086731.db2.gz YNWKQWJRBKSSLJ-WCQYABFASA-N 2 0 239.363 0.539 20 0 BCADRP CC[N@H+](CCNC(=O)N[C@H](C)[C@H](C)[NH3+])C1CC1 ZINC000417427479 387090055 /nfs/dbraw/zinc/09/00/55/387090055.db2.gz JCUVMXKRIYZZJO-VHSXEESVSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@]1(C(=O)NCC2=CC[NH2+]CC2)CCCC[NH2+]1 ZINC000186328101 387090991 /nfs/dbraw/zinc/09/09/91/387090991.db2.gz WVYUWMONAFRJCS-ZDUSSCGKSA-N 2 0 237.347 0.555 20 0 BCADRP C[N@H+]1C[C@@H]2C[NH+](CC[C@@H]3CCOC3)C[C@@H]2C1 ZINC000425970926 387097259 /nfs/dbraw/zinc/09/72/59/387097259.db2.gz KRSZTLJCARMHAO-UPJWGTAASA-N 2 0 224.348 0.906 20 0 BCADRP CC[N@H+](CCNC(=O)N[C@@H](C)C[NH3+])C1CC1 ZINC000417434092 387097886 /nfs/dbraw/zinc/09/78/86/387097886.db2.gz WRBRIWQHXRQOTC-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP CC[N@H+](CCNC(=O)N(C)CC[NH3+])C1CC1 ZINC000417428394 387099165 /nfs/dbraw/zinc/09/91/65/387099165.db2.gz KWULVZBVOBXPRC-UHFFFAOYSA-N 2 0 228.340 0.071 20 0 BCADRP CC[C@@H](C(=O)N(C)[C@H](C)C[NH3+])[NH+](CC)CC ZINC000359429343 387100246 /nfs/dbraw/zinc/10/02/46/387100246.db2.gz RFLSGBYQNVTPTO-MNOVXSKESA-N 2 0 229.368 0.912 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000335010055 387104795 /nfs/dbraw/zinc/10/47/95/387104795.db2.gz MIOOEVAKMHKMGM-GHMZBOCLSA-N 2 0 225.336 0.324 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000334946374 387108302 /nfs/dbraw/zinc/10/83/02/387108302.db2.gz WUNYXDADIJLCRZ-LLVKDONJSA-N 2 0 240.351 0.086 20 0 BCADRP C[C@]1(CNC(=O)N2CC[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000334946063 387108510 /nfs/dbraw/zinc/10/85/10/387108510.db2.gz OPEPSOBORMBHHW-JQWIXIFHSA-N 2 0 240.351 0.119 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000334950428 387114618 /nfs/dbraw/zinc/11/46/18/387114618.db2.gz LHEXOOJTABRGAE-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)(C[NH3+])NC(=O)c1ccc2c[nH+]cn2c1 ZINC000335025429 387115593 /nfs/dbraw/zinc/11/55/93/387115593.db2.gz RWJQTPQQWMYPMS-UHFFFAOYSA-N 2 0 232.287 0.801 20 0 BCADRP CCCCNC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070074260 387117076 /nfs/dbraw/zinc/11/70/76/387117076.db2.gz HDSXYVSZZGJDBG-LBPRGKRZSA-N 2 0 241.379 0.964 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418361085 387119065 /nfs/dbraw/zinc/11/90/65/387119065.db2.gz ACVJOOKSYLDHTD-WDEREUQCSA-N 2 0 242.367 0.283 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000186688904 387121029 /nfs/dbraw/zinc/12/10/29/387121029.db2.gz LEYNKUVMDLUJFP-CMPLNLGQSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@]1(CN2CC[C@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000336361257 387192590 /nfs/dbraw/zinc/19/25/90/387192590.db2.gz IACGHLWPEFFECB-OLZOCXBDSA-N 2 0 223.364 0.671 20 0 BCADRP CCC[NH2+]CCN[C@@H]1C[N@H+](CC)C[C@H]1C ZINC000423313497 387152302 /nfs/dbraw/zinc/15/23/02/387152302.db2.gz ULYKANSQSRJLDP-VXGBXAGGSA-N 2 0 213.369 0.916 20 0 BCADRP CCC[NH2+]CCN[C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423315285 387154138 /nfs/dbraw/zinc/15/41/38/387154138.db2.gz XFGLUKVLQYDWIJ-NEPJUHHUSA-N 2 0 229.368 0.343 20 0 BCADRP COCC[NH2+]CCN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423319644 387161264 /nfs/dbraw/zinc/16/12/64/387161264.db2.gz CQBPAKHDWOSNJG-WCQYABFASA-N 2 0 241.379 0.295 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000571761354 387163538 /nfs/dbraw/zinc/16/35/38/387163538.db2.gz HOJXMOWAEDKGEE-JGVFFNPUSA-N 2 0 235.278 0.227 20 0 BCADRP CC[N@H+]1C[C@H](NC[C@H]([NH3+])C2CC2)[C@@H](C)C1 ZINC000423327478 387169991 /nfs/dbraw/zinc/16/99/91/387169991.db2.gz RQMYRDWBKZLCRY-DLOVCJGASA-N 2 0 211.353 0.654 20 0 BCADRP COCCC[N@H+](CCOC)C[C@]1(C)CC[NH2+]C1 ZINC000062911906 387173376 /nfs/dbraw/zinc/17/33/76/387173376.db2.gz DPLZWVHRLILAIE-CYBMUJFWSA-N 2 0 244.379 0.971 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@]1(CC)CC[NH2+]C1 ZINC000062887513 387175400 /nfs/dbraw/zinc/17/54/00/387175400.db2.gz RHBXPUAJUYTYBN-ZDUSSCGKSA-N 2 0 241.379 0.834 20 0 BCADRP CC[C@]1(C(=O)NC2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000062890452 387176889 /nfs/dbraw/zinc/17/68/89/387176889.db2.gz QMBWQLFNAQTNCG-ZDUSSCGKSA-N 2 0 239.363 0.587 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@]12C[C@H]1CC[NH2+]2 ZINC000423334053 387181365 /nfs/dbraw/zinc/18/13/65/387181365.db2.gz FLRPIYOICYVCBR-NMKXLXIOSA-N 2 0 249.358 0.481 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000371261766 387184243 /nfs/dbraw/zinc/18/42/43/387184243.db2.gz CRMCSGUUJVWIQA-MXWKQRLJSA-N 2 0 225.336 0.419 20 0 BCADRP C[NH2+]CCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062973801 387190114 /nfs/dbraw/zinc/19/01/14/387190114.db2.gz AKERNQVAZZFHDL-LBPRGKRZSA-N 2 0 227.352 0.002 20 0 BCADRP COC[C@H](CC(C)C)[NH2+]CC1C[NH2+]C1 ZINC000423300081 387133256 /nfs/dbraw/zinc/13/32/56/387133256.db2.gz DETYUNZLLICGLL-NSHDSACASA-N 2 0 200.326 0.857 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000423303859 387137054 /nfs/dbraw/zinc/13/70/54/387137054.db2.gz MRVIPYMXZGTSPO-GRYCIOLGSA-N 2 0 211.353 0.846 20 0 BCADRP CCCCNC(=O)CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000228986246 387137230 /nfs/dbraw/zinc/13/72/30/387137230.db2.gz JLRNASZCEPXMEN-RYUDHWBXSA-N 2 0 241.379 0.819 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+](C)C1CC1 ZINC000353109430 387139943 /nfs/dbraw/zinc/13/99/43/387139943.db2.gz GWVNPQYRCOYVQW-JTQLQIEISA-N 2 0 242.367 0.330 20 0 BCADRP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000423357126 387207742 /nfs/dbraw/zinc/20/77/42/387207742.db2.gz HUJDKORRHKQFJS-FDYHWXHSSA-N 2 0 241.379 0.341 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000353459229 387207968 /nfs/dbraw/zinc/20/79/68/387207968.db2.gz LLSRTEQVKNXECR-VWYCJHECSA-N 2 0 227.352 0.332 20 0 BCADRP COC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)OC ZINC000300418291 387208946 /nfs/dbraw/zinc/20/89/46/387208946.db2.gz MVMGRKJPDCPJBB-ZDEQEGDKSA-N 2 0 244.379 0.966 20 0 BCADRP C[C@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000423358472 387210131 /nfs/dbraw/zinc/21/01/31/387210131.db2.gz NKGPZKOINXECST-TUAOUCFPSA-N 2 0 223.364 0.953 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCCCC[NH3+] ZINC000572015996 387213852 /nfs/dbraw/zinc/21/38/52/387213852.db2.gz ZORFQDQTPOVSSP-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000423362030 387214150 /nfs/dbraw/zinc/21/41/50/387214150.db2.gz ARSSPTCPQAEQAF-MDZLAQPJSA-N 2 0 237.347 0.291 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H](C)C[NH+](C)C ZINC000418194059 387214641 /nfs/dbraw/zinc/21/46/41/387214641.db2.gz DQNZXMARLXWWJP-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000572015955 387215651 /nfs/dbraw/zinc/21/56/51/387215651.db2.gz ZMGUZDNKYVMBDQ-GHMZBOCLSA-N 2 0 242.367 0.494 20 0 BCADRP CC[N@H+]1C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)C1 ZINC000423426304 387252928 /nfs/dbraw/zinc/25/29/28/387252928.db2.gz HPHJOAWTOXFGQH-HHHUOAJASA-N 2 0 209.337 0.134 20 0 BCADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCC[NH3+] ZINC000418204462 387219101 /nfs/dbraw/zinc/21/91/01/387219101.db2.gz PPTTUVNGQDCIAK-LLVKDONJSA-N 2 0 244.383 0.755 20 0 BCADRP COCC[NH2+]CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423326014 387228394 /nfs/dbraw/zinc/22/83/94/387228394.db2.gz IXBVVOKGDGBQPA-KBPBESRZSA-N 2 0 249.358 0.957 20 0 BCADRP CC[N@H+](C)CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000572147851 387244140 /nfs/dbraw/zinc/24/41/40/387244140.db2.gz RNOAMHLDVAQGKX-RYUDHWBXSA-N 2 0 213.369 0.916 20 0 BCADRP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000423416596 387248095 /nfs/dbraw/zinc/24/80/95/387248095.db2.gz FVYSALRJUNSWLP-MXWKQRLJSA-N 2 0 214.353 0.981 20 0 BCADRP COC[C@]1(CN[C@@H]2C[NH2+]CC[C@@H]2C)CCC[NH2+]1 ZINC000423417249 387248990 /nfs/dbraw/zinc/24/89/90/387248990.db2.gz SCUZMVAQIQLDBY-YNEHKIRRSA-N 2 0 241.379 0.343 20 0 BCADRP C[C@@H]([NH2+]CCC[NH+](C)C)C(C)(C)n1cncn1 ZINC000353411605 387197090 /nfs/dbraw/zinc/19/70/90/387197090.db2.gz KPPZBMFSPMMDJJ-LLVKDONJSA-N 2 0 239.367 0.943 20 0 BCADRP C[C@H](CCCC[NH3+])NCC(F)(F)CN ZINC000423349830 387199528 /nfs/dbraw/zinc/19/95/28/387199528.db2.gz XSQFVVWXUKQGKQ-MRVPVSSYSA-N 2 0 209.284 0.688 20 0 BCADRP CC1([NH3+])CCN(C(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000648121448 387309488 /nfs/dbraw/zinc/30/94/88/387309488.db2.gz MIFROPDJYNTVSF-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188186962 387256282 /nfs/dbraw/zinc/25/62/82/387256282.db2.gz BNAPQZRMZACXIW-IVZWLZJFSA-N 2 0 231.315 0.320 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423377568 387259514 /nfs/dbraw/zinc/25/95/14/387259514.db2.gz YZHOHFGNCYJXIX-YVECIDJPSA-N 2 0 225.380 0.914 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423378772 387260948 /nfs/dbraw/zinc/26/09/48/387260948.db2.gz ZVFUBLCUTNALFJ-QJPTWQEYSA-N 2 0 211.353 0.668 20 0 BCADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCN1CCCC1=O ZINC000352511879 387268111 /nfs/dbraw/zinc/26/81/11/387268111.db2.gz UCDLKMPKGBRVIW-GFCCVEGCSA-N 2 0 239.363 0.812 20 0 BCADRP C[C@@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)[N@H+](C)C1CC1 ZINC000423385500 387268504 /nfs/dbraw/zinc/26/85/04/387268504.db2.gz QVAWMYLEFDQWGM-CWSCBRNRSA-N 2 0 237.347 0.337 20 0 BCADRP C[NH2+][C@H](C)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000423387838 387272322 /nfs/dbraw/zinc/27/23/22/387272322.db2.gz KEWAWQUWCVOZFK-WISYIIOYSA-N 2 0 213.369 0.913 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000372120822 387274623 /nfs/dbraw/zinc/27/46/23/387274623.db2.gz FZEPYGMGLSBVQH-MNOVXSKESA-N 2 0 231.315 0.178 20 0 BCADRP CC[N@H+](CCNC(=O)CC1(C[NH3+])CC1)C(C)C ZINC000423392204 387277823 /nfs/dbraw/zinc/27/78/23/387277823.db2.gz LKHSRZHCZFORKO-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP O=C(N1CC[N@@H+]2CCC[C@H]2C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423392335 387278152 /nfs/dbraw/zinc/27/81/52/387278152.db2.gz QFIYQSPKMRTAHL-MDZLAQPJSA-N 2 0 235.331 0.045 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000572246136 387279499 /nfs/dbraw/zinc/27/94/99/387279499.db2.gz PHCMHIOLXOYVMV-LLVKDONJSA-N 2 0 239.363 0.573 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000572243108 387286480 /nfs/dbraw/zinc/28/64/80/387286480.db2.gz MBYKMUJQKQGDAT-CYBMUJFWSA-N 3 0 225.380 0.917 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000514789789 387287471 /nfs/dbraw/zinc/28/74/71/387287471.db2.gz SLAVQAYVLWAXJM-MXWKQRLJSA-N 2 0 227.352 0.556 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000372418796 387297766 /nfs/dbraw/zinc/29/77/66/387297766.db2.gz YNAMUCLKHMBLGM-TUAOUCFPSA-N 2 0 239.363 0.762 20 0 BCADRP CCO[C@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1(C)C ZINC000423454386 387302506 /nfs/dbraw/zinc/30/25/06/387302506.db2.gz KPIQPJYPBVLKLF-KZZRWZIVSA-N 2 0 224.348 0.997 20 0 BCADRP Cc1cc(N2CCCO[C@H](C[NH3+])C2)cc[nH+]1 ZINC000313397708 387303464 /nfs/dbraw/zinc/30/34/64/387303464.db2.gz ZDGISKNJHMIJCS-GFCCVEGCSA-N 2 0 221.304 0.944 20 0 BCADRP CC1([NH3+])CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000648121449 387308132 /nfs/dbraw/zinc/30/81/32/387308132.db2.gz MIFROPDJYNTVSF-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@]1(CNC(=O)CC2(C[NH3+])CC2)CCC[NH2+]C1 ZINC000423527149 387354993 /nfs/dbraw/zinc/35/49/93/387354993.db2.gz RIDLJPNMBQCQEO-LBPRGKRZSA-N 2 0 239.363 0.621 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)c1c[nH+]ccc1N(C)C ZINC000423527711 387356803 /nfs/dbraw/zinc/35/68/03/387356803.db2.gz MMCUZZHXBHCWNM-VIFPVBQESA-N 2 0 236.319 0.615 20 0 BCADRP C[C@@H]1C[C@@H](NC[C@H]2C[NH2+]CCO2)C[N@@H+]1C1CC1 ZINC000423532486 387358667 /nfs/dbraw/zinc/35/86/67/387358667.db2.gz ZQOVTZZZCJROAD-NQBHXWOUSA-N 2 0 239.363 0.190 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000393747171 259711270 /nfs/dbraw/zinc/71/12/70/259711270.db2.gz NQAIQJLIXXSUCK-KXUCPTDWSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCCC[NH2+]1 ZINC000643502727 387363619 /nfs/dbraw/zinc/36/36/19/387363619.db2.gz ORRYUAOKUOQJCS-UTUOFQBUSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@H](C[C@@H]1COCC[NH2+]1)NC[C@H]1CCCC[NH2+]1 ZINC000643502233 387364355 /nfs/dbraw/zinc/36/43/55/387364355.db2.gz AQBZTJKMRCHJHK-JHJVBQTASA-N 2 0 241.379 0.485 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423545753 387367590 /nfs/dbraw/zinc/36/75/90/387367590.db2.gz PEPVRGHOUUHYDR-KSTCHIGDSA-N 2 0 237.391 0.914 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000373436591 387368528 /nfs/dbraw/zinc/36/85/28/387368528.db2.gz VPYIJVBYLCEIBE-ZYHUDNBSSA-N 2 0 239.363 0.620 20 0 BCADRP COCC[N@@H+]1CC[C@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000423544422 387368762 /nfs/dbraw/zinc/36/87/62/387368762.db2.gz CZZUSDIUWYTGML-STQMWFEESA-N 2 0 241.379 0.439 20 0 BCADRP C[C@@H]1CCNC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546997 387371055 /nfs/dbraw/zinc/37/10/55/387371055.db2.gz ZWBCXAWOUQGCPV-DGCLKSJQSA-N 2 0 223.364 0.884 20 0 BCADRP C[C@H]1CCNC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546996 387371494 /nfs/dbraw/zinc/37/14/94/387371494.db2.gz ZWBCXAWOUQGCPV-AAEUAGOBSA-N 2 0 223.364 0.884 20 0 BCADRP C[C@@H](N[C@@H]1CCCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423552395 387373230 /nfs/dbraw/zinc/37/32/30/387373230.db2.gz JVLBCMVZHPALMA-UTUOFQBUSA-N 2 0 211.353 0.859 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[C@H](C)[NH3+] ZINC000423567214 387377803 /nfs/dbraw/zinc/37/78/03/387377803.db2.gz ZXESGAIIMFRTGS-YFKTTZPYSA-N 2 0 241.379 0.720 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NCCC[NH2+]C1CC1 ZINC000423572701 387381359 /nfs/dbraw/zinc/38/13/59/387381359.db2.gz YOTFTBCJPDEFES-JQWIXIFHSA-N 2 0 211.353 0.716 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000373562854 387381611 /nfs/dbraw/zinc/38/16/11/387381611.db2.gz SGDIQZOWZACERJ-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000423473888 387319848 /nfs/dbraw/zinc/31/98/48/387319848.db2.gz GYIYMBHUGIFJHO-LPEHRKFASA-N 2 0 233.306 0.714 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000372775966 387324520 /nfs/dbraw/zinc/32/45/20/387324520.db2.gz KIVZPSAROWJEEN-GMXVVIOVSA-N 2 0 239.363 0.844 20 0 BCADRP CC[C@H]([NH3+])CN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423479933 387327194 /nfs/dbraw/zinc/32/71/94/387327194.db2.gz VQCVKAFCXLSNMC-JBLDHEPKSA-N 2 0 211.353 0.796 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000515058443 387329283 /nfs/dbraw/zinc/32/92/83/387329283.db2.gz UDQOAMWRLKHGBX-QXFUBDJGSA-N 2 0 228.340 0.149 20 0 BCADRP COC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C(C)C ZINC000423485369 387332173 /nfs/dbraw/zinc/33/21/73/387332173.db2.gz APHYWDZGAGIUMG-NEPJUHHUSA-N 2 0 230.352 0.626 20 0 BCADRP [NH3+][C@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000372901208 387333551 /nfs/dbraw/zinc/33/35/51/387333551.db2.gz BXHDTFHRNDVJGV-ZYHUDNBSSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423494395 387337803 /nfs/dbraw/zinc/33/78/03/387337803.db2.gz DDBSQFIOVVPFCR-KXNHARMFSA-N 2 0 211.353 0.701 20 0 BCADRP C[C@@H](NC[C@H]1C[NH2+]CCCO1)[C@H]1CCCC[NH2+]1 ZINC000423494647 387338810 /nfs/dbraw/zinc/33/88/10/387338810.db2.gz SMUZLIZSLCUSPQ-JHJVBQTASA-N 2 0 241.379 0.485 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)[C@@H]1C ZINC000423496780 387339263 /nfs/dbraw/zinc/33/92/63/387339263.db2.gz XQHPCCNEDXZULA-WYUUTHIRSA-N 2 0 212.337 0.999 20 0 BCADRP CCC[C@@H](C(=O)NCC[NH2+]CCOC)[NH+](C)C ZINC000423500328 387340659 /nfs/dbraw/zinc/34/06/59/387340659.db2.gz DAOQLUWGVPHWDH-NSHDSACASA-N 2 0 245.367 0.069 20 0 BCADRP CC(C)[C@H](C(=O)NCC1([NH3+])CCC1)[C@H](C)[NH3+] ZINC000423502523 387343109 /nfs/dbraw/zinc/34/31/09/387343109.db2.gz CTWPRDWIGJHJHG-UWVGGRQHSA-N 2 0 227.352 0.603 20 0 BCADRP CCC[C@@H](C(=O)N[C@@H](C)CC[NH3+])[NH+](C)C ZINC000423509465 387345071 /nfs/dbraw/zinc/34/50/71/387345071.db2.gz JTALLJGODCXGMZ-UWVGGRQHSA-N 2 0 215.341 0.570 20 0 BCADRP CCC[C@H](C(=O)N[C@@H](C)CC[NH3+])[NH+](C)C ZINC000423509472 387346172 /nfs/dbraw/zinc/34/61/72/387346172.db2.gz JTALLJGODCXGMZ-VHSXEESVSA-N 2 0 215.341 0.570 20 0 BCADRP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CC[C@H](C)[NH3+] ZINC000423779061 387425905 /nfs/dbraw/zinc/42/59/05/387425905.db2.gz UMHGEYGTBPUVBB-RYUDHWBXSA-N 2 0 241.379 0.912 20 0 BCADRP C[NH+](C)CCC1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000361296098 387433535 /nfs/dbraw/zinc/43/35/35/387433535.db2.gz IRZGWYGIZJYGOF-STQMWFEESA-N 2 0 242.363 0.410 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423837653 387433957 /nfs/dbraw/zinc/43/39/57/387433957.db2.gz BGEKEDAIMDWROR-PWSUYJOCSA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423848658 387434822 /nfs/dbraw/zinc/43/48/22/387434822.db2.gz OIFNUKBAQVDKPH-LLVKDONJSA-N 2 0 227.352 0.522 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423837567 387435030 /nfs/dbraw/zinc/43/50/30/387435030.db2.gz AOPWKGNJTWYTTQ-SNVBAGLBSA-N 2 0 227.352 0.395 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)C1([NH3+])CCC1 ZINC000423839260 387435225 /nfs/dbraw/zinc/43/52/25/387435225.db2.gz CXINVZIUMXYFAG-UHFFFAOYSA-N 2 0 225.336 0.420 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000423842126 387435419 /nfs/dbraw/zinc/43/54/19/387435419.db2.gz GMEZCGOUEPJXPD-GHMZBOCLSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423855060 387436420 /nfs/dbraw/zinc/43/64/20/387436420.db2.gz WNMONYOKIASBCG-JTQLQIEISA-N 2 0 227.352 0.666 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000423855439 387436601 /nfs/dbraw/zinc/43/66/01/387436601.db2.gz XDQMMDZVLJUPOH-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000423852548 387437110 /nfs/dbraw/zinc/43/71/10/387437110.db2.gz SIXVNFMGUQQADI-NSHDSACASA-N 2 0 225.336 0.291 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423855962 387437340 /nfs/dbraw/zinc/43/73/40/387437340.db2.gz XPQYDQDMXQAXFW-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP C[NH+](C)CC1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000304207810 387447042 /nfs/dbraw/zinc/44/70/42/387447042.db2.gz DHCXZLSCHUZIMS-RYUDHWBXSA-N 2 0 228.336 0.020 20 0 BCADRP O=C(CC1CC[NH2+]CC1)N1CCC[NH2+]CC1 ZINC000038075088 387450322 /nfs/dbraw/zinc/45/03/22/387450322.db2.gz BWCGRGYUFGJGEW-UHFFFAOYSA-N 2 0 225.336 0.198 20 0 BCADRP CCN(CC[NH2+]C(C)(C)C)CCOCCO ZINC000304289272 387458701 /nfs/dbraw/zinc/45/87/01/387458701.db2.gz YSEOBXUTIYGCJN-UHFFFAOYSA-N 2 0 232.368 0.705 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@H]([NH3+])[C@@H](C)C1)[NH+](C)C ZINC000423971791 387459005 /nfs/dbraw/zinc/45/90/05/387459005.db2.gz HKBNZTWGCVWLFK-GARJFASQSA-N 2 0 227.352 0.378 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000423603489 387385466 /nfs/dbraw/zinc/38/54/66/387385466.db2.gz HRTPHZAJDYIGGW-VHSXEESVSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000423603491 387385508 /nfs/dbraw/zinc/38/55/08/387385508.db2.gz HRTPHZAJDYIGGW-ZJUUUORDSA-N 2 0 225.336 0.372 20 0 BCADRP CCC[C@H](C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)[NH+](C)C ZINC000423592430 387385842 /nfs/dbraw/zinc/38/58/42/387385842.db2.gz KPXRSGSWQOWPPL-SDDRHHMPSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[NH+](C)C ZINC000423971793 387459924 /nfs/dbraw/zinc/45/99/24/387459924.db2.gz HKBNZTWGCVWLFK-GMTAPVOTSA-N 2 0 227.352 0.378 20 0 BCADRP CCC[C@H](C(=O)NC[C@H](C)[NH2+]C)[NH+](C)C ZINC000423625429 387389387 /nfs/dbraw/zinc/38/93/87/387389387.db2.gz FPWBQVCSXYTWIU-VHSXEESVSA-N 2 0 215.341 0.441 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000423633909 387389786 /nfs/dbraw/zinc/38/97/86/387389786.db2.gz MGYHHZCOIODJCE-SCVCMEIPSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC000423679642 387396522 /nfs/dbraw/zinc/39/65/22/387396522.db2.gz MEAGHUGWCOLTRT-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000572402452 387399134 /nfs/dbraw/zinc/39/91/34/387399134.db2.gz NIVXMZSJNUTESD-DTWKUNHWSA-N 2 0 213.325 0.180 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000373860255 387399593 /nfs/dbraw/zinc/39/95/93/387399593.db2.gz SAYNDEVTJBEFFE-DGCLKSJQSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000423721378 387403136 /nfs/dbraw/zinc/40/31/36/387403136.db2.gz BRKSNUSDJQNAEQ-UTUOFQBUSA-N 2 0 239.363 0.809 20 0 BCADRP C1[NH2+]CC1N[C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000515634025 387404437 /nfs/dbraw/zinc/40/44/37/387404437.db2.gz DESRAQCQEPEDAT-SRVKXCTJSA-N 2 0 209.337 0.469 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N(CCOC)CC[NH+](C)C ZINC000423737663 387404902 /nfs/dbraw/zinc/40/49/02/387404902.db2.gz FIPSIIBLZCTKOR-LLVKDONJSA-N 2 0 245.367 0.150 20 0 BCADRP [NH3+]CCCNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000515644695 387407235 /nfs/dbraw/zinc/40/72/35/387407235.db2.gz HCTNDDLLYRIKQZ-UHFFFAOYSA-N 2 0 236.319 0.293 20 0 BCADRP COCCN(CC[NH+](C)C)C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000423750628 387409352 /nfs/dbraw/zinc/40/93/52/387409352.db2.gz XWSMLRWXWXDIII-MNOVXSKESA-N 2 0 245.367 0.006 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000423757849 387411213 /nfs/dbraw/zinc/41/12/13/387411213.db2.gz MCOMYKXVYYOOLY-LBPRGKRZSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC[N@@H+]1C ZINC000648123958 387414630 /nfs/dbraw/zinc/41/46/30/387414630.db2.gz MSNCVYZLNSGHKO-KKOKHZNYSA-N 2 0 239.363 0.441 20 0 BCADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)[NH3+] ZINC000423769990 387418535 /nfs/dbraw/zinc/41/85/35/387418535.db2.gz GSPXXSMGUOXOFC-DCAQKATOSA-N 2 0 225.336 0.419 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C1(C)C[NH2+]C1 ZINC000423773111 387420477 /nfs/dbraw/zinc/42/04/77/387420477.db2.gz MGCOEWMSXBURGS-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[NH+](C)CCN(C(=O)CCC[NH3+])C1CC1 ZINC000516463180 387512644 /nfs/dbraw/zinc/51/26/44/387512644.db2.gz UHMRZLVRUFAGOW-UHFFFAOYSA-N 2 0 213.325 0.278 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)CC[NH+](C)C ZINC000516968337 387520453 /nfs/dbraw/zinc/52/04/53/387520453.db2.gz AMBUEHWQUGGPMQ-UWVGGRQHSA-N 2 0 230.356 0.315 20 0 BCADRP C[NH+](C)[C@]1(C(=O)NCC[NH3+])CCc2ccccc21 ZINC000361734917 387526962 /nfs/dbraw/zinc/52/69/62/387526962.db2.gz TYKQNOZMNAUFBW-CQSZACIVSA-N 2 0 247.342 0.465 20 0 BCADRP C[N@H+](CCCCCF)CC(=O)N1CC[NH2+]CC1 ZINC000310150471 387534135 /nfs/dbraw/zinc/53/41/35/387534135.db2.gz HAYKELNBUZEUGN-UHFFFAOYSA-N 2 0 245.342 0.490 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000424007343 387465772 /nfs/dbraw/zinc/46/57/72/387465772.db2.gz VGRGZBPXHCQTEH-NEPJUHHUSA-N 2 0 241.379 0.770 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000424016064 387466797 /nfs/dbraw/zinc/46/67/97/387466797.db2.gz BBPZCYHUJXKXER-AAEUAGOBSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[NH3+] ZINC000424013441 387466914 /nfs/dbraw/zinc/46/69/14/387466914.db2.gz WKJLVVLUUJACFJ-NXEZZACHSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000424044349 387468214 /nfs/dbraw/zinc/46/82/14/387468214.db2.gz JOGFRVJXMSFFLS-GMXVVIOVSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424043232 387468237 /nfs/dbraw/zinc/46/82/37/387468237.db2.gz FUJABFKWDAFSEY-DDHJBXDOSA-N 2 0 239.363 0.631 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424043150 387468488 /nfs/dbraw/zinc/46/84/88/387468488.db2.gz DYMKZQQPCGPHLT-GMTAPVOTSA-N 2 0 227.352 0.631 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000516183020 387468950 /nfs/dbraw/zinc/46/89/50/387468950.db2.gz DXEVEOAMMUCWCN-OPRDCNLKSA-N 2 0 213.325 0.371 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424045168 387469819 /nfs/dbraw/zinc/46/98/19/387469819.db2.gz MEDYKFIAWMJRMG-GMTAPVOTSA-N 2 0 227.352 0.474 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3CC[NH2+]C3)C[C@H]21 ZINC000374628324 387473353 /nfs/dbraw/zinc/47/33/53/387473353.db2.gz FRIDYVPQLJRCOP-DDHJBXDOSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@@H]1C[C@@H](NCC[NH2+]C2CC2)C[N@@H+]1C1CC1 ZINC000643507035 387474127 /nfs/dbraw/zinc/47/41/27/387474127.db2.gz QHDRALUKWTWPNE-ZYHUDNBSSA-N 2 0 223.364 0.953 20 0 BCADRP CCNC(=O)C[N@H+](CC)CC[C@@H]1CC[NH2+]C1 ZINC000396743060 387487900 /nfs/dbraw/zinc/48/79/00/387487900.db2.gz UJIYVQQKLFPUKQ-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000417303388 387593597 /nfs/dbraw/zinc/59/35/97/387593597.db2.gz SHUPQAROIWFKTB-WDEREUQCSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@H](N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000400736004 387595052 /nfs/dbraw/zinc/59/50/52/387595052.db2.gz RSALLRSFYKULGN-GVXVVHGQSA-N 2 0 223.364 0.953 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000422539672 387596902 /nfs/dbraw/zinc/59/69/02/387596902.db2.gz KNEQTNSWDDJYIR-NXEZZACHSA-N 2 0 227.352 0.748 20 0 BCADRP Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H](C)C[NH3+])C2 ZINC000375977556 387599054 /nfs/dbraw/zinc/59/90/54/387599054.db2.gz YKHDCBMZAFVGRI-WCBMZHEXSA-N 2 0 236.319 0.217 20 0 BCADRP C([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC[NH2+]CC1 ZINC000527531326 387601930 /nfs/dbraw/zinc/60/19/30/387601930.db2.gz DWCRGRJSQWVDFH-GFCCVEGCSA-N 3 0 223.364 0.860 20 0 BCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424127892 387604198 /nfs/dbraw/zinc/60/41/98/387604198.db2.gz DQMGAIRZEWIMIR-AXFHLTTASA-N 2 0 225.336 0.134 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC(C)(C)CC[NH3+] ZINC000422607572 387605145 /nfs/dbraw/zinc/60/51/45/387605145.db2.gz LCDLLBQEYLMTTQ-UWVGGRQHSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC(C)(C)CC[NH3+] ZINC000422607573 387605782 /nfs/dbraw/zinc/60/57/82/387605782.db2.gz LCDLLBQEYLMTTQ-VHSXEESVSA-N 2 0 242.367 0.411 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NC(C)(C)CC[NH3+] ZINC000422614704 387608862 /nfs/dbraw/zinc/60/88/62/387608862.db2.gz ZBGVFFFIBRVZMN-SECBINFHSA-N 2 0 230.356 0.411 20 0 BCADRP C[C@@H]1C[C@H](C)[N@H+](CCOCC[NH3+])C[C@H]1C[NH3+] ZINC000422636569 387612691 /nfs/dbraw/zinc/61/26/91/387612691.db2.gz NCZGCUWIHLBNOJ-GRYCIOLGSA-N 3 0 229.368 0.267 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000376254120 387615031 /nfs/dbraw/zinc/61/50/31/387615031.db2.gz OLAUFZGZWLFEDI-DTWKUNHWSA-N 2 0 231.315 0.130 20 0 BCADRP CN(CC[NH2+][C@H]1CCC[C@H]1[NH3+])CC(F)(F)F ZINC000422702238 387618608 /nfs/dbraw/zinc/61/86/08/387618608.db2.gz DPVPSBKRJROYRX-BDAKNGLRSA-N 2 0 239.285 0.950 20 0 BCADRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH+](C)C ZINC000362492861 387618855 /nfs/dbraw/zinc/61/88/55/387618855.db2.gz PWDWYHKYHHFDCT-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H](C)[NH+](C)C)[C@H](C)[NH3+] ZINC000399554376 387555692 /nfs/dbraw/zinc/55/56/92/387555692.db2.gz ASSUZFTUXRDIOI-DCAQKATOSA-N 2 0 229.368 0.672 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000036871592 387556799 /nfs/dbraw/zinc/55/67/99/387556799.db2.gz OXLCPTGVJUFLNZ-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000426347158 387558187 /nfs/dbraw/zinc/55/81/87/387558187.db2.gz RZTVJVGCYJJCAR-QCNOEVLYSA-N 2 0 239.363 0.583 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000399727212 387566939 /nfs/dbraw/zinc/56/69/39/387566939.db2.gz KSNGBLXLCBQLDS-QWRGUYRKSA-N 2 0 229.368 0.674 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(C)C ZINC000037825193 387568600 /nfs/dbraw/zinc/56/86/00/387568600.db2.gz PDOJGMBQQRRJEW-LLVKDONJSA-N 2 0 229.368 0.770 20 0 BCADRP CC[C@@H](C(N)=O)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000355754381 387577688 /nfs/dbraw/zinc/57/76/88/387577688.db2.gz SUWSDMULFBOKJH-LBPRGKRZSA-N 2 0 241.379 0.914 20 0 BCADRP CC[C@H](C)[C@H](O)C[NH2+][C@H](CCC[NH3+])COC ZINC000422718774 387630610 /nfs/dbraw/zinc/63/06/10/387630610.db2.gz XOHGBFOWLHPGCJ-QJPTWQEYSA-N 2 0 232.368 0.737 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCN1CCSCC1 ZINC000422718380 387631700 /nfs/dbraw/zinc/63/17/00/387631700.db2.gz XCOHFMYTCLFODP-GHMZBOCLSA-N 2 0 229.393 0.505 20 0 BCADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422719477 387632517 /nfs/dbraw/zinc/63/25/17/387632517.db2.gz YGAAFWSSAGWNIW-UKKRHICBSA-N 2 0 200.326 0.863 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000376453207 387634460 /nfs/dbraw/zinc/63/44/60/387634460.db2.gz CRTLYAPZUZRUNX-VXGBXAGGSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H](CN[C@@H](C)C1C[NH2+]C1)C[NH+]1CCCC1 ZINC000422725660 387635374 /nfs/dbraw/zinc/63/53/74/387635374.db2.gz YJTNVIZOFUKESZ-NEPJUHHUSA-N 2 0 225.380 0.916 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)NCC2([NH3+])CCC2)cc1 ZINC000430650361 387636500 /nfs/dbraw/zinc/63/65/00/387636500.db2.gz UUYHYVIFNQJESW-LBPRGKRZSA-N 2 0 247.342 0.992 20 0 BCADRP C[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000422730507 387638530 /nfs/dbraw/zinc/63/85/30/387638530.db2.gz JWMBRMRUTMGHEO-UHFFFAOYSA-N 2 0 232.287 0.674 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430708202 387642521 /nfs/dbraw/zinc/64/25/21/387642521.db2.gz RVVAQQQPQIJUKI-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)CCC[NH3+] ZINC000430733270 387642797 /nfs/dbraw/zinc/64/27/97/387642797.db2.gz QWUYBMFCIOSKAI-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC000422735284 387644007 /nfs/dbraw/zinc/64/40/07/387644007.db2.gz VUQIOGZWVWRGNR-UHFFFAOYSA-N 2 0 225.336 0.341 20 0 BCADRP C[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])[N@H+](C)C1CC1 ZINC000422738354 387645241 /nfs/dbraw/zinc/64/52/41/387645241.db2.gz JOIBROQQBKTSFF-ADEWGFFLSA-N 2 0 211.353 0.939 20 0 BCADRP C[C@H](CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[NH+](C)C ZINC000422738550 387645647 /nfs/dbraw/zinc/64/56/47/387645647.db2.gz JUDKAJANJKNELR-KGYLQXTDSA-N 2 0 241.379 0.293 20 0 BCADRP C[C@H](CN[C@@H]1CCC[C@H]1[NH3+])[N@H+](C)C1CC1 ZINC000422738358 387646729 /nfs/dbraw/zinc/64/67/29/387646729.db2.gz JOIBROQQBKTSFF-YUSALJHKSA-N 2 0 211.353 0.939 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000430739474 387647632 /nfs/dbraw/zinc/64/76/32/387647632.db2.gz HMZYIDYEKRSSII-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000377145143 387695239 /nfs/dbraw/zinc/69/52/39/387695239.db2.gz RUPQMUPUNLDKBE-VWYCJHECSA-N 2 0 223.320 0.091 20 0 BCADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000430772645 387650204 /nfs/dbraw/zinc/65/02/04/387650204.db2.gz CIDZKZSKHQOCIU-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])C(C)C)C1 ZINC000430782386 387652624 /nfs/dbraw/zinc/65/26/24/387652624.db2.gz IKYNDNUDLLEAKS-NWDGAFQWSA-N 2 0 241.379 0.770 20 0 BCADRP CN(C(=O)CC[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430901036 387659186 /nfs/dbraw/zinc/65/91/86/387659186.db2.gz RWQVXNBMDKWMPR-SNVBAGLBSA-N 2 0 211.309 0.030 20 0 BCADRP C[C@H]1C[N@H+](CCCN2CCOCC2)CC[C@@H]1[NH3+] ZINC000430919580 387659739 /nfs/dbraw/zinc/65/97/39/387659739.db2.gz LRJNCNGQJAOXFF-STQMWFEESA-N 2 0 241.379 0.378 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000376789436 387669844 /nfs/dbraw/zinc/66/98/44/387669844.db2.gz HZQIXFGPDISOGU-CMPLNLGQSA-N 2 0 245.342 0.520 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000431014722 387670244 /nfs/dbraw/zinc/67/02/44/387670244.db2.gz LDFRRBXYLHEUAT-ZYHUDNBSSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)C[NH3+] ZINC000431019072 387670741 /nfs/dbraw/zinc/67/07/41/387670741.db2.gz KPMGYJUXPFQRJC-ONGXEEELSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000431014720 387670794 /nfs/dbraw/zinc/67/07/94/387670794.db2.gz LDFRRBXYLHEUAT-JQWIXIFHSA-N 2 0 239.363 0.585 20 0 BCADRP c1ncn(CC[NH+]2CCC3(CC[NH2+]C3)CC2)n1 ZINC000431036239 387673179 /nfs/dbraw/zinc/67/31/79/387673179.db2.gz IGRIZXCPYNWBJR-UHFFFAOYSA-N 2 0 235.335 0.354 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000431032259 387673392 /nfs/dbraw/zinc/67/33/92/387673392.db2.gz ILQMUVYMCQHWCY-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]CCNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000422776222 387673424 /nfs/dbraw/zinc/67/34/24/387673424.db2.gz CHSPKKGKACDZMW-LLVKDONJSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H]1CCNC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000422777190 387675409 /nfs/dbraw/zinc/67/54/09/387675409.db2.gz FQJLDNMVRDCVCW-RYUDHWBXSA-N 2 0 213.369 0.916 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]1CCC[NH2+]1)[C@H](C)[NH3+] ZINC000422788746 387680597 /nfs/dbraw/zinc/68/05/97/387680597.db2.gz RJBNHDYSICVBQR-AXFHLTTASA-N 2 0 227.352 0.474 20 0 BCADRP [NH3+][C@H]1CCC[C@H]1NCCC[NH+]1CCCC1 ZINC000422781385 387680639 /nfs/dbraw/zinc/68/06/39/387680639.db2.gz ITYJJVHVRXQZTL-NWDGAFQWSA-N 2 0 211.353 0.942 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1NCCC[NH+]1CCCC1 ZINC000422781384 387681236 /nfs/dbraw/zinc/68/12/36/387681236.db2.gz ITYJJVHVRXQZTL-NEPJUHHUSA-N 2 0 211.353 0.942 20 0 BCADRP CCC[C@@H](C(=O)NCC[C@H](C)[NH3+])[NH+](C)C ZINC000422782867 387681400 /nfs/dbraw/zinc/68/14/00/387681400.db2.gz NOIHAIPSEOERHE-UWVGGRQHSA-N 2 0 215.341 0.570 20 0 BCADRP COCCC[N@H+](C)CCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422786550 387687032 /nfs/dbraw/zinc/68/70/32/387687032.db2.gz SMAFJRYAVKQAPL-STQMWFEESA-N 2 0 243.395 0.542 20 0 BCADRP COCCC[N@H+](C)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422787278 387687168 /nfs/dbraw/zinc/68/71/68/387687168.db2.gz UMNJASSIMBJYSK-QWHCGFSZSA-N 2 0 243.395 0.672 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000377139680 387692023 /nfs/dbraw/zinc/69/20/23/387692023.db2.gz KCKFYTCWZYKGLO-LLVKDONJSA-N 2 0 239.363 0.573 20 0 BCADRP COCCC[N@H+](C)CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422791415 387692349 /nfs/dbraw/zinc/69/23/49/387692349.db2.gz YJBUOAXNECYGDC-NEPJUHHUSA-N 2 0 231.384 0.670 20 0 BCADRP CCC[C@H](C(=O)N[C@@H](C[NH3+])C1CC1)[NH+](C)C ZINC000422865266 387747120 /nfs/dbraw/zinc/74/71/20/387747120.db2.gz XLVSDCZOHGKGOP-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424143906 387754346 /nfs/dbraw/zinc/75/43/46/387754346.db2.gz KCXQGCLFFFSVKN-YFKTTZPYSA-N 2 0 237.347 0.419 20 0 BCADRP [NH3+]CC1(CC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000422800126 387699866 /nfs/dbraw/zinc/69/98/66/387699866.db2.gz AVLLDPBSLJXBQL-LBPRGKRZSA-N 2 0 247.342 0.932 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000114399999 387703437 /nfs/dbraw/zinc/70/34/37/387703437.db2.gz ASQZUGVSBBJHDT-LBPRGKRZSA-N 2 0 241.379 0.738 20 0 BCADRP CC1(C(=O)NC[C@@H]([NH3+])c2ccccc2)C[NH2+]C1 ZINC000422808038 387705086 /nfs/dbraw/zinc/70/50/86/387705086.db2.gz PWHATHKDDNCUJP-LLVKDONJSA-N 2 0 233.315 0.412 20 0 BCADRP CC[N@H+](CC(=O)NC1CN(C(C)C)C1)C1CC1 ZINC000431394295 387705985 /nfs/dbraw/zinc/70/59/85/387705985.db2.gz XRGGXTGJESNMEJ-UHFFFAOYSA-N 2 0 239.363 0.680 20 0 BCADRP COC[C@H](O)C[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000127336694 387710761 /nfs/dbraw/zinc/71/07/61/387710761.db2.gz VQLCFBYGTNJVSP-SDDRHHMPSA-N 2 0 230.352 0.408 20 0 BCADRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424143904 387755388 /nfs/dbraw/zinc/75/53/88/387755388.db2.gz KCXQGCLFFFSVKN-KXNHARMFSA-N 2 0 237.347 0.419 20 0 BCADRP CC[C@H](C(=O)NCC1([NH3+])CCCC1)[NH+](C)C ZINC000629614105 387714155 /nfs/dbraw/zinc/71/41/55/387714155.db2.gz YIOZXAFMIPKRES-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CCC[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[NH+](C)C ZINC000422820382 387716473 /nfs/dbraw/zinc/71/64/73/387716473.db2.gz QGTOLAODEUSQAR-TUAOUCFPSA-N 2 0 241.379 0.926 20 0 BCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424142007 387719383 /nfs/dbraw/zinc/71/93/83/387719383.db2.gz HQBLYCIDLXBQOU-UTUOFQBUSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424143905 387755507 /nfs/dbraw/zinc/75/55/07/387755507.db2.gz KCXQGCLFFFSVKN-QCNOEVLYSA-N 2 0 237.347 0.419 20 0 BCADRP C[NH+](C)CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431619110 387721484 /nfs/dbraw/zinc/72/14/84/387721484.db2.gz FSIGCXNUZWXPAK-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)CC1(C[NH3+])CC1 ZINC000422833153 387726173 /nfs/dbraw/zinc/72/61/73/387726173.db2.gz VRIKYUOIGFYBFR-UHFFFAOYSA-N 2 0 227.352 0.749 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000377562816 387726496 /nfs/dbraw/zinc/72/64/96/387726496.db2.gz KUJVRYIRUWMRJW-MXWKQRLJSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000377561358 387727581 /nfs/dbraw/zinc/72/75/81/387727581.db2.gz HHEMNJKRJVMOOC-IRCOFANPSA-N 2 0 239.363 0.583 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000157074773 387728405 /nfs/dbraw/zinc/72/84/05/387728405.db2.gz PQEHNSGYEGYAFQ-WDEREUQCSA-N 2 0 229.368 0.672 20 0 BCADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000422848607 387734819 /nfs/dbraw/zinc/73/48/19/387734819.db2.gz AXYINMFMNVBZLU-MXWKQRLJSA-N 2 0 209.337 0.563 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H](C[NH3+])C1CC1)[C@@H](C)[NH3+] ZINC000422854496 387737449 /nfs/dbraw/zinc/73/74/49/387737449.db2.gz AWFNPXPUWQFHKL-IEBDPFPHSA-N 2 0 227.352 0.459 20 0 BCADRP CN(CC[NH+]1CCCC1)Cc1nccn1C ZINC000161981508 387738591 /nfs/dbraw/zinc/73/85/91/387738591.db2.gz CDNZWMNIDRJQLW-UHFFFAOYSA-N 2 0 222.336 0.948 20 0 BCADRP C[C@H](C[NH3+])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367644232 387738541 /nfs/dbraw/zinc/73/85/41/387738541.db2.gz SHFTYHZHDCYTCB-MRVPVSSYSA-N 2 0 234.303 0.261 20 0 BCADRP COc1cccc(C[C@@H](C)[NH2+]C[C@H](C)[NH3+])n1 ZINC000643527391 387766491 /nfs/dbraw/zinc/76/64/91/387766491.db2.gz LZGXUXKMSOIGAD-VHSXEESVSA-N 2 0 223.320 0.958 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000378182642 387768697 /nfs/dbraw/zinc/76/86/97/387768697.db2.gz LJRXDNHZQCQWJQ-LMSJBEHQSA-N 2 0 239.363 0.903 20 0 BCADRP CC[C@]1(C(=O)N(C)[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000378226508 387773514 /nfs/dbraw/zinc/77/35/14/387773514.db2.gz VHPKKALNNADZKS-JQWIXIFHSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)N1C[C@H]([NH2+][C@H](C)CCC[NH3+])CC1=O ZINC000422927037 387779296 /nfs/dbraw/zinc/77/92/96/387779296.db2.gz YALZDMDJIMBQCV-GHMZBOCLSA-N 2 0 227.352 0.713 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@H](O)[C@H]2CCCO2)CC1 ZINC000527949197 387783426 /nfs/dbraw/zinc/78/34/26/387783426.db2.gz FYQFUQMHKBUTOO-QWHCGFSZSA-N 2 0 242.363 0.600 20 0 BCADRP CC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424148293 387786801 /nfs/dbraw/zinc/78/68/01/387786801.db2.gz UDRJUTCFFZIGFS-NEPJUHHUSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)COC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422978407 387788221 /nfs/dbraw/zinc/78/82/21/387788221.db2.gz ZJQPCHWYWRBXPX-UPJWGTAASA-N 2 0 244.379 0.737 20 0 BCADRP CC(C)COC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422978409 387788688 /nfs/dbraw/zinc/78/86/88/387788688.db2.gz ZJQPCHWYWRBXPX-YNEHKIRRSA-N 2 0 244.379 0.737 20 0 BCADRP C[C@@H]([NH3+])CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000442650283 387812836 /nfs/dbraw/zinc/81/28/36/387812836.db2.gz OTMBQGJAYBMPTQ-OLZOCXBDSA-N 2 0 241.379 0.378 20 0 BCADRP CC(C)[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422986590 387795060 /nfs/dbraw/zinc/79/50/60/387795060.db2.gz CVCFFVQEUZNTRO-QJPTWQEYSA-N 2 0 214.353 0.981 20 0 BCADRP CC(C)[C@H](O)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422986591 387795420 /nfs/dbraw/zinc/79/54/20/387795420.db2.gz CVCFFVQEUZNTRO-SDDRHHMPSA-N 2 0 214.353 0.981 20 0 BCADRP CC(C)[C@H](O)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422986588 387796615 /nfs/dbraw/zinc/79/66/15/387796615.db2.gz CVCFFVQEUZNTRO-GRYCIOLGSA-N 2 0 214.353 0.981 20 0 BCADRP C[C@@H](N[C@H]1C[N@H+](C)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000422988087 387797988 /nfs/dbraw/zinc/79/79/88/387797988.db2.gz ICTIXDATTJJFBX-LPWJVIDDSA-N 2 0 225.380 0.914 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418301850 387805231 /nfs/dbraw/zinc/80/52/31/387805231.db2.gz AFAKZSQYXJYZKW-NSHDSACASA-N 2 0 242.367 0.413 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442613137 387807479 /nfs/dbraw/zinc/80/74/79/387807479.db2.gz AUVFBAKZIGLTLJ-WOPDTQHZSA-N 2 0 241.379 0.947 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442616244 387807497 /nfs/dbraw/zinc/80/74/97/387807497.db2.gz AUVFBAKZIGLTLJ-SDDRHHMPSA-N 2 0 241.379 0.947 20 0 BCADRP C[NH2+]CCCNC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000418303655 387808522 /nfs/dbraw/zinc/80/85/22/387808522.db2.gz DLMMAUZQKCRZEK-QWRGUYRKSA-N 2 0 242.367 0.365 20 0 BCADRP COC[C@]1(C[NH2+][C@@H](C)CCCCO)CCC[NH2+]1 ZINC000643531968 387810402 /nfs/dbraw/zinc/81/04/02/387810402.db2.gz JYOBEALBNGQISI-QWHCGFSZSA-N 2 0 244.379 0.896 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCCC[NH3+] ZINC000309496304 387810524 /nfs/dbraw/zinc/81/05/24/387810524.db2.gz TZZXIDDNAVQPRT-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H]([NH2+]CCCO[C@@H]1CCOC1)[C@H]1CCC[NH2+]1 ZINC000422876578 387756767 /nfs/dbraw/zinc/75/67/67/387756767.db2.gz QLDNVIZGQOXDBM-YNEHKIRRSA-N 2 0 242.363 0.912 20 0 BCADRP CC(C)[C@@H](C(=O)NCC(C)(C)[NH3+])[C@H](C)[NH3+] ZINC000422887137 387760690 /nfs/dbraw/zinc/76/06/90/387760690.db2.gz YLTPJLSEGQLNQD-DTWKUNHWSA-N 2 0 215.341 0.459 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C[C@H](C)[NH3+])[C@H](C)C1 ZINC000442667705 387820130 /nfs/dbraw/zinc/82/01/30/387820130.db2.gz ZRDLKLVNBDQFIP-WOPDTQHZSA-N 2 0 213.369 0.996 20 0 BCADRP C[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422971114 387821064 /nfs/dbraw/zinc/82/10/64/387821064.db2.gz HXHAOVWFPPWLGW-AVGNSLFASA-N 2 0 241.379 0.173 20 0 BCADRP CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422974955 387824588 /nfs/dbraw/zinc/82/45/88/387824588.db2.gz FSYFIDVNRPTAIY-XFWSIPNHSA-N 2 0 220.382 0.814 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000629529757 387873065 /nfs/dbraw/zinc/87/30/65/387873065.db2.gz MGOFMCILEJNOAL-QWRGUYRKSA-N 2 0 216.325 0.380 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055090540 387832104 /nfs/dbraw/zinc/83/21/04/387832104.db2.gz YRQSZXUHSOLPCC-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H](NCCOCC[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000423072857 387873276 /nfs/dbraw/zinc/87/32/76/387873276.db2.gz QDVUCOOEBUHNII-STQMWFEESA-N 2 0 243.395 0.685 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424160762 387839654 /nfs/dbraw/zinc/83/96/54/387839654.db2.gz UPAJEBBNTMWIGX-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424160961 387841547 /nfs/dbraw/zinc/84/15/47/387841547.db2.gz BBIULQFMPOWJEO-DBIOUOCHSA-N 2 0 225.336 0.215 20 0 BCADRP CC[C@@H]([NH2+]CC[C@H](O)COC)[C@@H]1CCC[NH2+]1 ZINC000423024748 387843878 /nfs/dbraw/zinc/84/38/78/387843878.db2.gz MLQXBXWMZAIDQS-TUAOUCFPSA-N 2 0 230.352 0.504 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423029441 387846896 /nfs/dbraw/zinc/84/68/96/387846896.db2.gz AHNONIAUKPBVFO-OLZOCXBDSA-N 3 0 243.395 0.814 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423029442 387847207 /nfs/dbraw/zinc/84/72/07/387847207.db2.gz AHNONIAUKPBVFO-QWHCGFSZSA-N 3 0 243.395 0.814 20 0 BCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C[NH+](C)C ZINC000442821610 387848121 /nfs/dbraw/zinc/84/81/21/387848121.db2.gz NBJSWTAGFXAQQI-NSHDSACASA-N 2 0 241.379 0.737 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCn1ccnn1 ZINC000423031989 387849598 /nfs/dbraw/zinc/84/95/98/387849598.db2.gz LYYUMAIDUKATLI-NEPJUHHUSA-N 2 0 237.351 0.918 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000062076608 387850691 /nfs/dbraw/zinc/85/06/91/387850691.db2.gz MOSDARURLCZUPL-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423037859 387850749 /nfs/dbraw/zinc/85/07/49/387850749.db2.gz NHUGMRWGJNZHHR-LBPRGKRZSA-N 3 0 243.395 0.542 20 0 BCADRP C[C@@H]1[C@@H](NC2CC[NH2+]CC2)CCC[N@@H+]1C ZINC000423036415 387851919 /nfs/dbraw/zinc/85/19/19/387851919.db2.gz TZOWDYWYQQUECS-PWSUYJOCSA-N 2 0 211.353 0.811 20 0 BCADRP C[N@H+]1C[C@H]2CN(CC[NH+]3CCCCC3)C[C@H]2C1 ZINC000193653143 387857673 /nfs/dbraw/zinc/85/76/73/387857673.db2.gz JDARZCVFFZLCMY-OKILXGFUSA-N 2 0 237.391 0.966 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000433110802 387865444 /nfs/dbraw/zinc/86/54/44/387865444.db2.gz CIGKMWZNEVHWBH-CMPLNLGQSA-N 2 0 227.352 0.461 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000433115777 387865645 /nfs/dbraw/zinc/86/56/45/387865645.db2.gz JGNNXUUGERUVRN-GRYCIOLGSA-N 2 0 241.379 0.851 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H](C[NH3+])C(C)C ZINC000433129562 387865866 /nfs/dbraw/zinc/86/58/66/387865866.db2.gz NZZUCIXVELFGTC-WDEREUQCSA-N 2 0 229.368 0.851 20 0 BCADRP C[C@@H]1CCNC[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536231 387867088 /nfs/dbraw/zinc/86/70/88/387867088.db2.gz OVTRGLBLWWYHFQ-UTUOFQBUSA-N 2 0 223.364 0.716 20 0 BCADRP C[C@H]1C[C@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433128651 387867574 /nfs/dbraw/zinc/86/75/74/387867574.db2.gz BIPCQPGICMGBOV-CMPLNLGQSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000433122632 387867879 /nfs/dbraw/zinc/86/78/79/387867879.db2.gz WKNYRRFHJCZOLW-MXWKQRLJSA-N 2 0 227.352 0.413 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000433129857 387867934 /nfs/dbraw/zinc/86/79/34/387867934.db2.gz PLHHCGVFCZYDHK-JTQLQIEISA-N 2 0 229.368 0.661 20 0 BCADRP CO[C@H](C)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423061904 387868002 /nfs/dbraw/zinc/86/80/02/387868002.db2.gz RWNLYSSEJXSWQK-MXWKQRLJSA-N 2 0 200.326 0.999 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CCN(C)CC2)CC[N@@H+]1C ZINC000648712280 387872313 /nfs/dbraw/zinc/87/23/13/387872313.db2.gz JHISTKSBGRHHLD-GHMZBOCLSA-N 2 0 225.336 0.101 20 0 BCADRP C[C@H]([NH3+])CN1CCC[C@H](Cn2cncn2)C1 ZINC000442659391 387814242 /nfs/dbraw/zinc/81/42/42/387814242.db2.gz BMHPGKWBHCYAFI-QWRGUYRKSA-N 2 0 223.324 0.337 20 0 BCADRP CC[NH+](CC)CCO[C@H]1CCN(C[C@H](C)[NH3+])C1 ZINC000442665489 387817622 /nfs/dbraw/zinc/81/76/22/387817622.db2.gz MNUBSBOCUCZYII-STQMWFEESA-N 2 0 243.395 0.766 20 0 BCADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)O ZINC000422968757 387819293 /nfs/dbraw/zinc/81/92/93/387819293.db2.gz XNCIJNSMXMPAOG-DMDPSCGWSA-N 2 0 222.332 0.915 20 0 BCADRP CC[NH2+]CCNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000418317944 387819646 /nfs/dbraw/zinc/81/96/46/387819646.db2.gz OEGHKMCOJNOUHX-PHIMTYICSA-N 2 0 242.367 0.330 20 0 BCADRP Cc1nc(C[C@@H]2CCCN(C[C@H](C)[NH3+])C2)no1 ZINC000442665765 387819667 /nfs/dbraw/zinc/81/96/67/387819667.db2.gz NUTDYJAYRGZJMY-ONGXEEELSA-N 2 0 238.335 0.980 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000423109489 387893940 /nfs/dbraw/zinc/89/39/40/387893940.db2.gz HGSGMEQICNPYKV-WOPDTQHZSA-N 2 0 239.363 0.857 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH3+])C1 ZINC000154394077 387897593 /nfs/dbraw/zinc/89/75/93/387897593.db2.gz GAGUSUDQONWLQI-VHSXEESVSA-N 2 0 213.325 0.454 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538659 387878264 /nfs/dbraw/zinc/87/82/64/387878264.db2.gz QYBPMWUVBVQBAT-NNYUYHANSA-N 2 0 229.343 0.936 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NC[C@H]1CCNCC1(F)F ZINC000424175108 387879182 /nfs/dbraw/zinc/87/91/82/387879182.db2.gz NFCAADVXTULSNW-BDAKNGLRSA-N 2 0 249.305 0.475 20 0 BCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC[C@@H]21 ZINC000424174996 387879229 /nfs/dbraw/zinc/87/92/29/387879229.db2.gz OZJQLFCDHUBVBL-USZNOCQGSA-N 2 0 237.347 0.276 20 0 BCADRP CC[C@@H]1CN(CC[NH2+][C@H](C)C[C@H](C)[NH3+])CCO1 ZINC000423085078 387879486 /nfs/dbraw/zinc/87/94/86/387879486.db2.gz JGDUDHLDGJNAAU-YNEHKIRRSA-N 2 0 243.395 0.813 20 0 BCADRP CC[C@@H]1CN(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCO1 ZINC000423086209 387880974 /nfs/dbraw/zinc/88/09/74/387880974.db2.gz LQHQNGCYGKSGKM-FRRDWIJNSA-N 2 0 241.379 0.567 20 0 BCADRP CCOC(=O)C1([C@H](C)[NH2+]CCF)CC[NH2+]CC1 ZINC000423093254 387882543 /nfs/dbraw/zinc/88/25/43/387882543.db2.gz GTJAQCAGASPINZ-JTQLQIEISA-N 2 0 246.326 0.867 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)CC1CC[NH2+]CC1 ZINC000236626947 387900018 /nfs/dbraw/zinc/90/00/18/387900018.db2.gz STJMOFIKNXXXJT-ZDUSSCGKSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000424190513 387904539 /nfs/dbraw/zinc/90/45/39/387904539.db2.gz MMDFULHSVHLKLY-OLZOCXBDSA-N 2 0 247.342 0.712 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236840696 387908404 /nfs/dbraw/zinc/90/84/04/387908404.db2.gz KBYNAYARIRUSBR-IXMYILBSSA-N 2 0 225.336 0.513 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000423131531 387909448 /nfs/dbraw/zinc/90/94/48/387909448.db2.gz OBONBMMTLOZYBT-NDBYEHHHSA-N 2 0 242.363 0.633 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000195221427 387911086 /nfs/dbraw/zinc/91/10/86/387911086.db2.gz KFRCXVRAYFDZIQ-NNYUYHANSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@H]([NH2+]C[C@H](CO)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423134732 387911495 /nfs/dbraw/zinc/91/14/95/387911495.db2.gz FCBXHOUYAAVWBX-MVWJERBFSA-N 2 0 212.337 0.735 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)NCC[N@H+](CC)C(C)C ZINC000236945367 387913092 /nfs/dbraw/zinc/91/30/92/387913092.db2.gz GRINEVBNOZFNKF-LLVKDONJSA-N 2 0 229.368 0.960 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](CO)CC1CCC1 ZINC000423136985 387913388 /nfs/dbraw/zinc/91/33/88/387913388.db2.gz VPZYBXGBZRTCMB-QWHCGFSZSA-N 2 0 244.379 0.881 20 0 BCADRP [NH3+]C1(C(=O)NC[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC000237799595 387929503 /nfs/dbraw/zinc/92/95/03/387929503.db2.gz QYYDBJPUJINZCO-LLVKDONJSA-N 2 0 239.363 0.764 20 0 BCADRP CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423153885 387932856 /nfs/dbraw/zinc/93/28/56/387932856.db2.gz IJUWMWZAJFKSGF-LMLFDSFASA-N 2 0 216.325 0.506 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424217672 387934390 /nfs/dbraw/zinc/93/43/90/387934390.db2.gz NEIJSCRMZHOZQJ-IRCOFANPSA-N 2 0 239.363 0.761 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424218379 387934431 /nfs/dbraw/zinc/93/44/31/387934431.db2.gz SUTNXYOYIZICAF-GMTAPVOTSA-N 2 0 227.352 0.761 20 0 BCADRP CC[C@H]([NH2+]CC[C@](C)(O)COC)[C@@H]1CCC[NH2+]1 ZINC000423143463 387921430 /nfs/dbraw/zinc/92/14/30/387921430.db2.gz DEDWISWXCNXULK-AVGNSLFASA-N 2 0 244.379 0.894 20 0 BCADRP COC[C@](C)(O)CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423145560 387922043 /nfs/dbraw/zinc/92/20/43/387922043.db2.gz LHCVAPUITFHZBY-YNEHKIRRSA-N 2 0 244.379 0.881 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)CC[NH3+])Cc1ccccc1 ZINC000237135709 387923407 /nfs/dbraw/zinc/92/34/07/387923407.db2.gz AVRJWRQNPLFRDH-CYBMUJFWSA-N 2 0 249.358 0.624 20 0 BCADRP CCC[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)OC ZINC000423147634 387925192 /nfs/dbraw/zinc/92/51/92/387925192.db2.gz SLUWTVYPUMNGHQ-MWLCHTKSSA-N 2 0 200.326 0.999 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCCC[N@@H+]1CCO ZINC000423149579 387927147 /nfs/dbraw/zinc/92/71/47/387927147.db2.gz XUPNWBODHGOJFY-RWMBFGLXSA-N 2 0 243.395 0.549 20 0 BCADRP CCN1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1=O ZINC000423150189 387928005 /nfs/dbraw/zinc/92/80/05/387928005.db2.gz IIOINAYVLXUWIA-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H](C(=O)NCC1([NH+](C)C)CCC1)[NH+](C)C ZINC000438522407 387940894 /nfs/dbraw/zinc/94/08/94/387940894.db2.gz CZVBKZHQVGHUMI-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP c1cn([C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)nn1 ZINC000424258892 387944380 /nfs/dbraw/zinc/94/43/80/387944380.db2.gz CLHIOZLBVIZXAK-CYBMUJFWSA-N 2 0 249.362 0.915 20 0 BCADRP COC[C@H]([NH3+])C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424250086 387944752 /nfs/dbraw/zinc/94/47/52/387944752.db2.gz WSENJFYXUOHXTG-NSHDSACASA-N 2 0 237.303 0.366 20 0 BCADRP c1cn([C@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)nn1 ZINC000424298375 387957965 /nfs/dbraw/zinc/95/79/65/387957965.db2.gz DBRVWOLQPJOLHE-OLZOCXBDSA-N 2 0 249.362 0.915 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453035688 387967032 /nfs/dbraw/zinc/96/70/32/387967032.db2.gz MPZPAJONWRXPOQ-NWDGAFQWSA-N 2 0 239.363 0.491 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](NC2CC[NH2+]CC2)C1 ZINC000423185895 387970602 /nfs/dbraw/zinc/97/06/02/387970602.db2.gz NUUPLMWZJGSOAO-CMPLNLGQSA-N 2 0 211.353 0.668 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000423194364 387979498 /nfs/dbraw/zinc/97/94/98/387979498.db2.gz RIFYWLYSTIMCIR-QJPTWQEYSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000423190085 387975874 /nfs/dbraw/zinc/97/58/74/387975874.db2.gz NKGPZKOINXECST-GRYCIOLGSA-N 2 0 223.364 0.953 20 0 BCADRP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000423190086 387976297 /nfs/dbraw/zinc/97/62/97/387976297.db2.gz NKGPZKOINXECST-IJLUTSLNSA-N 2 0 223.364 0.953 20 0 BCADRP FC1(F)CNCC[C@H]1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000424364196 387990364 /nfs/dbraw/zinc/99/03/64/387990364.db2.gz DBFFKPOVKTZIID-QWRGUYRKSA-N 2 0 247.333 0.820 20 0 BCADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccco1 ZINC000423205312 387991459 /nfs/dbraw/zinc/99/14/59/387991459.db2.gz PCDSXINENPILAT-LLVKDONJSA-N 2 0 223.320 0.835 20 0 BCADRP C[C@@H](CC(=O)N(C)C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424366120 387992515 /nfs/dbraw/zinc/99/25/15/387992515.db2.gz IJGZDPXJZHHYRJ-HBNTYKKESA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@@H](NCCN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423209625 387992991 /nfs/dbraw/zinc/99/29/91/387992991.db2.gz VISXOPJLMREYSJ-OLZOCXBDSA-N 2 0 240.395 0.012 20 0 BCADRP C[C@@H](Cc1ccoc1)[NH2+]CCN1CC[NH2+]CC1 ZINC000423212036 387994937 /nfs/dbraw/zinc/99/49/37/387994937.db2.gz ZLQHQIMIUTYAQZ-LBPRGKRZSA-N 2 0 237.347 0.705 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000423210605 387995158 /nfs/dbraw/zinc/99/51/58/387995158.db2.gz KCDOZLWINMHELK-IJLUTSLNSA-N 2 0 211.353 0.526 20 0 BCADRP C[NH2+]CCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000423200566 387986027 /nfs/dbraw/zinc/98/60/27/387986027.db2.gz MPOKJXITYDNHQT-GRYCIOLGSA-N 2 0 213.369 0.914 20 0 BCADRP C[C@]1(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)CC[NH2+]C1 ZINC000424371886 387997475 /nfs/dbraw/zinc/99/74/75/387997475.db2.gz VWWGONXHUCBQST-OLZOCXBDSA-N 2 0 249.362 0.915 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424387299 388001512 /nfs/dbraw/zinc/00/15/12/388001512.db2.gz YMXWDIVSRJJBCK-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]([NH3+])CCN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423222221 388001514 /nfs/dbraw/zinc/00/15/14/388001514.db2.gz AGGZSVGZUHACJC-HBNTYKKESA-N 2 0 211.353 0.939 20 0 BCADRP C[C@H]([NH3+])CCN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423222220 388002422 /nfs/dbraw/zinc/00/24/22/388002422.db2.gz AGGZSVGZUHACJC-GARJFASQSA-N 2 0 211.353 0.939 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645889488 388006614 /nfs/dbraw/zinc/00/66/14/388006614.db2.gz LLHKRUSUVVLDEE-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424474735 388026194 /nfs/dbraw/zinc/02/61/94/388026194.db2.gz IMPXGENLSZTQRC-IVZWLZJFSA-N 2 0 228.340 0.293 20 0 BCADRP [NH3+]C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC000424471957 388013632 /nfs/dbraw/zinc/01/36/32/388013632.db2.gz DQKLMAHXQNOVBW-MXWKQRLJSA-N 2 0 240.351 0.293 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424471061 388014302 /nfs/dbraw/zinc/01/43/02/388014302.db2.gz CGISSYCSFAONRN-OUAUKWLOSA-N 2 0 242.367 0.539 20 0 BCADRP CC[C@@H](NC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423229352 388014872 /nfs/dbraw/zinc/01/48/72/388014872.db2.gz AYWPATMZDPNPCM-UTUOFQBUSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCC[NH2+]1 ZINC000423232279 388016479 /nfs/dbraw/zinc/01/64/79/388016479.db2.gz IBIWTWUUVBEEBD-GRYCIOLGSA-N 2 0 211.353 0.716 20 0 BCADRP C(N[C@H](C1CC1)[C@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]1 ZINC000423234641 388018174 /nfs/dbraw/zinc/01/81/74/388018174.db2.gz MFNJDYAXWDZQRA-YNEHKIRRSA-N 2 0 239.363 0.095 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000082257205 388019509 /nfs/dbraw/zinc/01/95/09/388019509.db2.gz CXGXMNBAPXYCGX-SNVBAGLBSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423248760 388032323 /nfs/dbraw/zinc/03/23/23/388032323.db2.gz NSOBSFVEBKUXGH-SRVKXCTJSA-N 3 0 211.353 0.716 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423250492 388033150 /nfs/dbraw/zinc/03/31/50/388033150.db2.gz QJIOSZOGKDGSFE-WOPDTQHZSA-N 2 0 211.353 0.574 20 0 BCADRP CC[NH2+]CCN[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423252690 388036033 /nfs/dbraw/zinc/03/60/33/388036033.db2.gz YAPFMJFYFWWYCU-ZYHUDNBSSA-N 2 0 211.353 0.668 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254891 388037200 /nfs/dbraw/zinc/03/72/00/388037200.db2.gz ZVQDDLJYPGRZGT-HBNTYKKESA-N 2 0 200.326 0.999 20 0 BCADRP C[NH2+]C[C@H](C)CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423256202 388037229 /nfs/dbraw/zinc/03/72/29/388037229.db2.gz BMMSIJQCHRXKFI-DRZSPHRISA-N 2 0 241.379 0.199 20 0 BCADRP CC[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)[C@@H](O)C(F)F ZINC000453266002 388030481 /nfs/dbraw/zinc/03/04/81/388030481.db2.gz DTJQMMNIENDQDT-AXTSPUMRSA-N 2 0 236.306 0.931 20 0 BCADRP C[NH2+]CC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000440581909 388056924 /nfs/dbraw/zinc/05/69/24/388056924.db2.gz SRDBCYHNHXWNFU-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423281592 388063420 /nfs/dbraw/zinc/06/34/20/388063420.db2.gz VUQBHAWDTGSWSD-MNOVXSKESA-N 3 0 201.358 0.949 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C[NH3+])C2CC2)C1 ZINC000423284885 388069076 /nfs/dbraw/zinc/06/90/76/388069076.db2.gz XIVUBDKXMLUFGW-MVWJERBFSA-N 2 0 211.353 0.654 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCC(C)(C)[NH3+] ZINC000423286470 388071684 /nfs/dbraw/zinc/07/16/84/388071684.db2.gz HOALSQHSCUDTSM-ONGXEEELSA-N 2 0 211.353 0.796 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCC(C)(C)[NH3+] ZINC000423286468 388071865 /nfs/dbraw/zinc/07/18/65/388071865.db2.gz HOALSQHSCUDTSM-KOLCDFICSA-N 2 0 211.353 0.796 20 0 BCADRP CC[N@H+](CCNC(=O)C[C@@H](C[NH3+])OC)C(C)C ZINC000447435992 388072163 /nfs/dbraw/zinc/07/21/63/388072163.db2.gz SPHCUXKLWDOOBJ-NSHDSACASA-N 2 0 245.367 0.197 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000447507668 388074502 /nfs/dbraw/zinc/07/45/02/388074502.db2.gz ILSLYOSNLJWUTC-UTUOFQBUSA-N 2 0 241.379 0.829 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000447518317 388074645 /nfs/dbraw/zinc/07/46/45/388074645.db2.gz NOPSEHKJKZRKSY-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000447518316 388074654 /nfs/dbraw/zinc/07/46/54/388074654.db2.gz NOPSEHKJKZRKSY-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000447598153 388081464 /nfs/dbraw/zinc/08/14/64/388081464.db2.gz UOKLKBSLBKFDRW-CHWSQXEVSA-N 2 0 244.379 0.969 20 0 BCADRP C[C@@H](O)C[NH+](C)C/C=C\C[N@@H+](C)C[C@@H](C)O ZINC000463355460 388091744 /nfs/dbraw/zinc/09/17/44/388091744.db2.gz WOQQEXFDSULKBT-GKKDLHFNSA-N 2 0 230.352 0.168 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000648718259 388104880 /nfs/dbraw/zinc/10/48/80/388104880.db2.gz ZJMIZQYJNSLQCZ-ZYHUDNBSSA-N 2 0 239.363 0.537 20 0 BCADRP COC[C@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086723500 388108081 /nfs/dbraw/zinc/10/80/81/388108081.db2.gz RTBWXFWZRYMHRA-NSHDSACASA-N 2 0 230.352 0.851 20 0 BCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC[NH3+] ZINC000086932301 388111418 /nfs/dbraw/zinc/11/14/18/388111418.db2.gz FTGYNEFEGFUWFR-GHMZBOCLSA-N 2 0 225.336 0.420 20 0 BCADRP C[C@@H](Cc1ccoc1)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000449241289 388160671 /nfs/dbraw/zinc/16/06/71/388160671.db2.gz AJLQGIBHWYYWCV-AAEUAGOBSA-N 2 0 238.331 0.867 20 0 BCADRP C[C@@H](Cc1ccoc1)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000449241291 388160875 /nfs/dbraw/zinc/16/08/75/388160875.db2.gz AJLQGIBHWYYWCV-WCQYABFASA-N 2 0 238.331 0.867 20 0 BCADRP C[C@H](Cc1ccoc1)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000449241290 388160994 /nfs/dbraw/zinc/16/09/94/388160994.db2.gz AJLQGIBHWYYWCV-DGCLKSJQSA-N 2 0 238.331 0.867 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000646197034 388162384 /nfs/dbraw/zinc/16/23/84/388162384.db2.gz GBEZTVFQSBVEJP-MNOVXSKESA-N 2 0 244.383 0.800 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000646216792 388167120 /nfs/dbraw/zinc/16/71/20/388167120.db2.gz XTAHQCBEMHMXRG-MMWGEVLESA-N 2 0 242.367 0.504 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@H](C[NH3+])C1 ZINC000646216844 388167274 /nfs/dbraw/zinc/16/72/74/388167274.db2.gz ZZBHNDWCPZHHJY-LPEHRKFASA-N 2 0 228.340 0.102 20 0 BCADRP C[C@H](O)CC[N@H+](C)CCCn1ccnc1 ZINC000162441911 388170904 /nfs/dbraw/zinc/17/09/04/388170904.db2.gz ZOPKFXBTJWHWMA-NSHDSACASA-N 2 0 211.309 0.976 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000449328428 388173374 /nfs/dbraw/zinc/17/33/74/388173374.db2.gz JHYQNOYDIRNEAD-JOYOIKCWSA-N 2 0 239.363 0.583 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH3+] ZINC000449361774 388182527 /nfs/dbraw/zinc/18/25/27/388182527.db2.gz YPEQJWRNAFMCPG-BXKDBHETSA-N 2 0 235.331 0.706 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C[NH2+]C1CC1 ZINC000646012790 388124119 /nfs/dbraw/zinc/12/41/19/388124119.db2.gz YLLGGHFJNOYBDO-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449375239 388186079 /nfs/dbraw/zinc/18/60/79/388186079.db2.gz FRMCKFZBDJPDGR-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000648718911 388133036 /nfs/dbraw/zinc/13/30/36/388133036.db2.gz KQQAXPMOZVIBSM-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000449080887 388137168 /nfs/dbraw/zinc/13/71/68/388137168.db2.gz ADFQAGOALPHVTK-ZJUUUORDSA-N 2 0 227.352 0.489 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000449065511 388138208 /nfs/dbraw/zinc/13/82/08/388138208.db2.gz ZMSKBUWYWWRXKU-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000449071883 388138985 /nfs/dbraw/zinc/13/89/85/388138985.db2.gz IWNVROSXCADLHZ-GHMZBOCLSA-N 2 0 241.379 0.879 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000449085861 388140805 /nfs/dbraw/zinc/14/08/05/388140805.db2.gz PJVNWEXHEGLRFD-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000449090277 388141359 /nfs/dbraw/zinc/14/13/59/388141359.db2.gz GIIVQGDANGADDG-IJLUTSLNSA-N 2 0 241.379 0.879 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000449098793 388141992 /nfs/dbraw/zinc/14/19/92/388141992.db2.gz KYELVDVFYVSVNJ-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP COCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102782 388142933 /nfs/dbraw/zinc/14/29/33/388142933.db2.gz REKKXZMCENGRPU-UHFFFAOYSA-N 2 0 228.336 0.429 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC[NH2+]CC ZINC000449102640 388143169 /nfs/dbraw/zinc/14/31/69/388143169.db2.gz KLFPONWVSMMLAE-VIFPVBQESA-N 2 0 201.314 0.100 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000449118258 388143473 /nfs/dbraw/zinc/14/34/73/388143473.db2.gz XFCWUTHSMXJDTJ-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H](O)CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105847 388143796 /nfs/dbraw/zinc/14/37/96/388143796.db2.gz JRBZUKNBDPZHMS-LBPRGKRZSA-N 2 0 242.363 0.554 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000449117458 388144415 /nfs/dbraw/zinc/14/44/15/388144415.db2.gz UPHDAANRDIVGGQ-BBBLOLIVSA-N 2 0 225.336 0.336 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC[N@H+](C)CC ZINC000449120238 388145381 /nfs/dbraw/zinc/14/53/81/388145381.db2.gz CJYSRRKYMYLQGG-SNVBAGLBSA-N 2 0 215.341 0.442 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000449122429 388145481 /nfs/dbraw/zinc/14/54/81/388145481.db2.gz LIXULBJNKNHSRD-QXEWZRGKSA-N 2 0 225.336 0.371 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000449132688 388146608 /nfs/dbraw/zinc/14/66/08/388146608.db2.gz VPUMIURQJICNOY-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449131933 388147042 /nfs/dbraw/zinc/14/70/42/388147042.db2.gz QLCSRBKVIOZBOR-SECBINFHSA-N 2 0 227.352 0.761 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@H]1C[NH3+] ZINC000449132687 388147054 /nfs/dbraw/zinc/14/70/54/388147054.db2.gz VPUMIURQJICNOY-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000449144657 388148071 /nfs/dbraw/zinc/14/80/71/388148071.db2.gz JKGXHGQVEGMYFK-GHMZBOCLSA-N 2 0 229.368 0.831 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000449144659 388148192 /nfs/dbraw/zinc/14/81/92/388148192.db2.gz JKGXHGQVEGMYFK-QWRGUYRKSA-N 2 0 229.368 0.831 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000449148486 388149391 /nfs/dbraw/zinc/14/93/91/388149391.db2.gz TWVMDNAFDHJIBU-IJLUTSLNSA-N 2 0 241.379 0.973 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000449175333 388153485 /nfs/dbraw/zinc/15/34/85/388153485.db2.gz JRLNBYQMPFNEIH-OUAUKWLOSA-N 2 0 227.352 0.583 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646139364 388154301 /nfs/dbraw/zinc/15/43/01/388154301.db2.gz QCGMDQPMIUBLBM-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449661071 388249563 /nfs/dbraw/zinc/24/95/63/388249563.db2.gz ZAMNIGUKKGZCCA-SCZZXKLOSA-N 2 0 249.305 0.617 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449668851 388251100 /nfs/dbraw/zinc/25/11/00/388251100.db2.gz USIRTMIPCSVCRE-IUCAKERBSA-N 2 0 249.305 0.488 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449668849 388251172 /nfs/dbraw/zinc/25/11/72/388251172.db2.gz USIRTMIPCSVCRE-DTWKUNHWSA-N 2 0 249.305 0.488 20 0 BCADRP C[NH+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000167967637 388256447 /nfs/dbraw/zinc/25/64/47/388256447.db2.gz PFAJQRXQAHPLSZ-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000449384065 388189442 /nfs/dbraw/zinc/18/94/42/388189442.db2.gz MAZMTGWZBFFPOP-DGCLKSJQSA-N 2 0 241.379 0.880 20 0 BCADRP COCC[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261528794 135154020 /nfs/dbraw/zinc/15/40/20/135154020.db2.gz NXNVPZMDUXONJN-MNOVXSKESA-N 2 0 200.326 0.953 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C)C[NH3+] ZINC000449485041 388216423 /nfs/dbraw/zinc/21/64/23/388216423.db2.gz KLBVZMHNKFHQQL-DTWKUNHWSA-N 2 0 215.341 0.474 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000646318297 388217297 /nfs/dbraw/zinc/21/72/97/388217297.db2.gz TZSIEWUZVNSIFW-GFCCVEGCSA-N 2 0 237.347 0.470 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000449491048 388218109 /nfs/dbraw/zinc/21/81/09/388218109.db2.gz DYMKZQQPCGPHLT-MXWKQRLJSA-N 2 0 227.352 0.631 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000646320385 388221396 /nfs/dbraw/zinc/22/13/96/388221396.db2.gz FQTRTGYIUAPKSL-CMPLNLGQSA-N 2 0 225.336 0.326 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000646320690 388221669 /nfs/dbraw/zinc/22/16/69/388221669.db2.gz YOVRHEGKDGQQHY-MFKMUULPSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000449538802 388226868 /nfs/dbraw/zinc/22/68/68/388226868.db2.gz USYIJYOYFLQXLN-GRYCIOLGSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCc2c1cnn2C ZINC000336662757 388261073 /nfs/dbraw/zinc/26/10/73/388261073.db2.gz KPRUOHDWLKEKCX-ONGXEEELSA-N 2 0 222.336 0.982 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])CC(F)F)CC[NH2+]1 ZINC000646327663 388229940 /nfs/dbraw/zinc/22/99/40/388229940.db2.gz NGUXSESBJGFPIT-RKDXNWHRSA-N 2 0 249.305 0.425 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H](C)CCC[NH3+])[NH+](C)C ZINC000449572283 388235611 /nfs/dbraw/zinc/23/56/11/388235611.db2.gz MXVVUZKMXVSIQS-GHMZBOCLSA-N 2 0 229.368 0.816 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H](C)CCC[NH3+])[NH+](C)C ZINC000449572285 388236281 /nfs/dbraw/zinc/23/62/81/388236281.db2.gz MXVVUZKMXVSIQS-QWRGUYRKSA-N 2 0 229.368 0.816 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000490456458 388239352 /nfs/dbraw/zinc/23/93/52/388239352.db2.gz ZXYDIWSJCXTRNQ-LLVKDONJSA-N 2 0 225.336 0.291 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])CC(C)C ZINC000449596678 388239349 /nfs/dbraw/zinc/23/93/49/388239349.db2.gz BZQFCXNTWXDWDE-BDAKNGLRSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449598091 388239496 /nfs/dbraw/zinc/23/94/96/388239496.db2.gz AVRSWNLHDVLUFG-NAKRPEOUSA-N 2 0 227.352 0.746 20 0 BCADRP CC[C@]1(C(=O)N[C@H](C)[C@@H](C)[NH3+])CCC[NH2+]1 ZINC000449601701 388240374 /nfs/dbraw/zinc/24/03/74/388240374.db2.gz NRDCKPYNASRNLB-FXPVBKGRSA-N 2 0 213.325 0.371 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449604009 388240552 /nfs/dbraw/zinc/24/05/52/388240552.db2.gz SEJIIKADWZCXSJ-IVZWLZJFSA-N 2 0 229.368 0.863 20 0 BCADRP C[C@@H](NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)[C@H](C)[NH3+] ZINC000449604433 388240566 /nfs/dbraw/zinc/24/05/66/388240566.db2.gz SWNPILCBVKHQIG-BTQIBKBOSA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000449603358 388240918 /nfs/dbraw/zinc/24/09/18/388240918.db2.gz VYKAOEMZTRRNFX-QWRGUYRKSA-N 2 0 221.304 0.540 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)F ZINC000449608735 388241191 /nfs/dbraw/zinc/24/11/91/388241191.db2.gz JTVDGLCODNAFMX-RNJXMRFFSA-N 2 0 237.294 0.459 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449608734 388241284 /nfs/dbraw/zinc/24/12/84/388241284.db2.gz JTVDGLCODNAFMX-FXQIFTODSA-N 2 0 237.294 0.459 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH3+])CC ZINC000449608566 388241503 /nfs/dbraw/zinc/24/15/03/388241503.db2.gz IKABFTBXTUWDAO-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]([NH3+])CC ZINC000449608777 388241700 /nfs/dbraw/zinc/24/17/00/388241700.db2.gz JZWRCISVLAJLCH-IUCAKERBSA-N 2 0 201.314 0.228 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C[NH+](CC)CC ZINC000449611384 388242533 /nfs/dbraw/zinc/24/25/33/388242533.db2.gz VLCUQDCAAVMMBS-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449610973 388242719 /nfs/dbraw/zinc/24/27/19/388242719.db2.gz SXGGDLBPMCZFOP-OUAUKWLOSA-N 2 0 227.352 0.748 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000449617779 388244303 /nfs/dbraw/zinc/24/43/03/388244303.db2.gz ALRTVBUCAUGBGF-MRVPVSSYSA-N 2 0 237.294 0.427 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449645162 388247744 /nfs/dbraw/zinc/24/77/44/388247744.db2.gz LGJPCIGXFIDRPZ-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH+](C)C/C=C\C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000491864692 388325229 /nfs/dbraw/zinc/32/52/29/388325229.db2.gz GSCSVKGKAKYIRE-FOQNGQEVSA-N 2 0 239.363 0.561 20 0 BCADRP C[NH+](C)C/C=C\C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000491869757 388325558 /nfs/dbraw/zinc/32/55/58/388325558.db2.gz NLIDYCWPODPNJP-HWPRWLFBSA-N 2 0 239.363 0.562 20 0 BCADRP C[NH+](C)C/C=C\C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000491880166 388325867 /nfs/dbraw/zinc/32/58/67/388325867.db2.gz BZISLKLBPTZCTI-DOGVGXBMSA-N 2 0 225.336 0.172 20 0 BCADRP C[NH+](C)C/C=C\C(=O)N1CCC[N@H+](C)CC1 ZINC000491883834 388326225 /nfs/dbraw/zinc/32/62/25/388326225.db2.gz LWNBGBBPJMYGRF-XQRVVYSFSA-N 2 0 225.336 0.268 20 0 BCADRP CCC[NH+]1CCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000491902083 388327003 /nfs/dbraw/zinc/32/70/03/388327003.db2.gz BBZWFKKAKHQNEA-AATRIKPKSA-N 2 0 239.363 0.658 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)/C=C\C[NH+](C)C ZINC000492058493 388333221 /nfs/dbraw/zinc/33/32/21/388333221.db2.gz PMDNNLNTZFNHCZ-FPLPWBNLSA-N 2 0 241.379 0.952 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646335973 388261532 /nfs/dbraw/zinc/26/15/32/388261532.db2.gz DRGZDYMLNUHHSZ-UHXUPSOCSA-N 2 0 249.358 0.196 20 0 BCADRP C[C@]1(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC[NH2+]C1 ZINC000646336150 388261861 /nfs/dbraw/zinc/26/18/61/388261861.db2.gz JPMDJWYHGVYCSE-MDZLAQPJSA-N 2 0 237.347 0.196 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336410 388262077 /nfs/dbraw/zinc/26/20/77/388262077.db2.gz RFIXPXYULZZNRB-UWVGGRQHSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336298 388262454 /nfs/dbraw/zinc/26/24/54/388262454.db2.gz NANMKTCVGVIIQV-QJPTWQEYSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646336412 388262566 /nfs/dbraw/zinc/26/25/66/388262566.db2.gz RFIXPXYULZZNRB-ZJUUUORDSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCC1 ZINC000645953494 388269083 /nfs/dbraw/zinc/26/90/83/388269083.db2.gz VXAYRTCAQMYRTD-NSHDSACASA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+][C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)C1CCC1 ZINC000646338362 388271666 /nfs/dbraw/zinc/27/16/66/388271666.db2.gz JYWLYSDCTGUFLT-WCQGTBRESA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CCC1 ZINC000646338518 388272125 /nfs/dbraw/zinc/27/21/25/388272125.db2.gz PFEFKGIFQGSJIB-NXEZZACHSA-N 2 0 223.320 0.078 20 0 BCADRP CN(C)C(=O)c1ccc(CN(C)CCC[NH3+])[nH]1 ZINC000573000546 388404337 /nfs/dbraw/zinc/40/43/37/388404337.db2.gz HVGXWRHEFYGYAQ-UHFFFAOYSA-N 2 0 238.335 0.497 20 0 BCADRP C[C@]1(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000646368086 388346649 /nfs/dbraw/zinc/34/66/49/388346649.db2.gz VKTNJLNCIGFKHN-MDZLAQPJSA-N 2 0 237.347 0.054 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000646372407 388346970 /nfs/dbraw/zinc/34/69/70/388346970.db2.gz FXOSTFOWUIAWOU-JTQLQIEISA-N 2 0 225.336 0.183 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646385246 388348604 /nfs/dbraw/zinc/34/86/04/388348604.db2.gz ZUQGNOOTLZFFIB-GRYCIOLGSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646385113 388348731 /nfs/dbraw/zinc/34/87/31/388348731.db2.gz XISMRJJOINDUHU-RYUDHWBXSA-N 2 0 239.363 0.444 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]([NH3+])CC(F)F ZINC000516571311 388350313 /nfs/dbraw/zinc/35/03/13/388350313.db2.gz SDVQEKXJJFDLQS-ZETCQYMHSA-N 2 0 237.294 0.412 20 0 BCADRP C[C@H](CNC(=O)CC1(C[NH3+])CC1)[NH+]1CCCC1 ZINC000646408450 388351985 /nfs/dbraw/zinc/35/19/85/388351985.db2.gz QOKWAKOYYCMQGY-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000516580227 388355715 /nfs/dbraw/zinc/35/57/15/388355715.db2.gz DMWWAQJGRGYSOX-AXFHLTTASA-N 2 0 227.352 0.713 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)C1CC1 ZINC000646424369 388355871 /nfs/dbraw/zinc/35/58/71/388355871.db2.gz XVFZNPVTZRDBRH-MNOVXSKESA-N 2 0 239.363 0.441 20 0 BCADRP CN(C(=O)CC(C)(C)[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000646430771 388358418 /nfs/dbraw/zinc/35/84/18/388358418.db2.gz HMIQZYRYLICGKW-NSHDSACASA-N 2 0 239.363 0.809 20 0 BCADRP C[C@@H]1[C@H](C(=O)NCc2c[nH]cn2)CC[N@@H+]1C ZINC000648791523 388359800 /nfs/dbraw/zinc/35/98/00/388359800.db2.gz BJEYTVXUQBGEIT-PSASIEDQSA-N 2 0 222.292 0.366 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2CC[NH+]3CCC2CC3)o1 ZINC000646450459 388360799 /nfs/dbraw/zinc/36/07/99/388360799.db2.gz SEWCNAKHAMGIPH-UHFFFAOYSA-N 2 0 249.314 0.659 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N1CC[NH+]2CCC1CC2 ZINC000646450359 388361163 /nfs/dbraw/zinc/36/11/63/388361163.db2.gz QBZOWJLHQCUFMZ-SECBINFHSA-N 2 0 247.289 0.276 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000572641219 388362305 /nfs/dbraw/zinc/36/23/05/388362305.db2.gz XKUHDHPVQDUDCJ-ZJUUUORDSA-N 2 0 213.325 0.372 20 0 BCADRP O=C(CC1CC[NH2+]CC1)NCC[C@@H]1CC[NH2+]C1 ZINC000572640062 388363326 /nfs/dbraw/zinc/36/33/26/388363326.db2.gz SYCHRFNOANNDNP-LBPRGKRZSA-N 2 0 239.363 0.492 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646494286 388368187 /nfs/dbraw/zinc/36/81/87/388368187.db2.gz DEKHMVXHAHPNKT-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C(C)(C)[NH3+] ZINC000261533837 135165977 /nfs/dbraw/zinc/16/59/77/135165977.db2.gz LITBTDHAROVUFW-QMMMGPOBSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000235572361 388371605 /nfs/dbraw/zinc/37/16/05/388371605.db2.gz JASZTQHZGCOSBE-DCAQKATOSA-N 2 0 227.352 0.441 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000572760278 388372956 /nfs/dbraw/zinc/37/29/56/388372956.db2.gz KOGQUVXOIOQYGX-AXFHLTTASA-N 2 0 227.352 0.489 20 0 BCADRP C[C@H](NC(=O)C[NH2+]CC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000572760105 388373759 /nfs/dbraw/zinc/37/37/59/388373759.db2.gz GMUCBBDJENFHJR-CMPLNLGQSA-N 2 0 239.363 0.490 20 0 BCADRP CO[C@H]1CCN(CC[NH2+]C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000519542726 256650324 /nfs/dbraw/zinc/65/03/24/256650324.db2.gz HZBRERIYEGVZIN-NEPJUHHUSA-N 2 0 243.395 0.813 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000646533823 388377605 /nfs/dbraw/zinc/37/76/05/388377605.db2.gz CLWHOLNRHXKALJ-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOCC(F)F ZINC000236176721 388378592 /nfs/dbraw/zinc/37/85/92/388378592.db2.gz VPVUMRCDPGSVQE-IUCAKERBSA-N 2 0 222.279 0.985 20 0 BCADRP C[NH+](C)CCN(C(=O)CC1([NH3+])CCC1)C1CC1 ZINC000646542623 388379563 /nfs/dbraw/zinc/37/95/63/388379563.db2.gz LTGQUIFDRYRLID-UHFFFAOYSA-N 2 0 239.363 0.811 20 0 BCADRP C[NH+](C)CCN(C(=O)C[C@H]1CC[NH2+]C1)C1CC1 ZINC000646542783 388379720 /nfs/dbraw/zinc/37/97/20/388379720.db2.gz UAZFUUVOPBDDFD-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(CC2(C[NH3+])CC2)C1 ZINC000572879712 388383220 /nfs/dbraw/zinc/38/32/20/388383220.db2.gz SWSNHQNGLDTCHI-WDEREUQCSA-N 2 0 211.353 0.785 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000236782918 388383200 /nfs/dbraw/zinc/38/32/00/388383200.db2.gz HPRKIDOKKQPMEH-SECBINFHSA-N 2 0 215.341 0.476 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000236806339 388383737 /nfs/dbraw/zinc/38/37/37/388383737.db2.gz MDEWQBWIQWUSTB-VHSXEESVSA-N 2 0 213.325 0.372 20 0 BCADRP [NH3+]CCCCC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000519775840 256659581 /nfs/dbraw/zinc/65/95/81/256659581.db2.gz ZNNSQYZCPPLLMK-HAQNSBGRSA-N 2 0 241.379 0.997 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)[C@H](C)O ZINC000519765420 256659605 /nfs/dbraw/zinc/65/96/05/256659605.db2.gz JERQPKHLUWLPCY-NEPJUHHUSA-N 2 0 232.368 0.704 20 0 BCADRP CC[NH+](CC)CC(=O)NCC(C)(C)[NH3+] ZINC000236841786 388384405 /nfs/dbraw/zinc/38/44/05/388384405.db2.gz DPMKWQRPDUPQIO-UHFFFAOYSA-N 2 0 201.314 0.182 20 0 BCADRP [NH3+]CC1(NC(=O)[C@@H]([NH3+])CC(F)F)CCCC1 ZINC000572881789 388384815 /nfs/dbraw/zinc/38/48/15/388384815.db2.gz RGBAISHBNYCQQB-ZETCQYMHSA-N 2 0 235.278 0.357 20 0 BCADRP CC[N@H+](CCNC(=O)C1([NH3+])CC1)C(C)C ZINC000236856205 388384801 /nfs/dbraw/zinc/38/48/01/388384801.db2.gz QUEXXCHAIXKYHT-UHFFFAOYSA-N 2 0 213.325 0.324 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000236841659 388384863 /nfs/dbraw/zinc/38/48/63/388384863.db2.gz MDEWQBWIQWUSTB-UWVGGRQHSA-N 2 0 213.325 0.372 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@@H](C)C[NH3+] ZINC000236842188 388384958 /nfs/dbraw/zinc/38/49/58/388384958.db2.gz JJHLBNVKSMFUFT-VIFPVBQESA-N 2 0 201.314 0.039 20 0 BCADRP CCO[C@@H]1COC[C@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000572900250 388386424 /nfs/dbraw/zinc/38/64/24/388386424.db2.gz ZXXCNHRWYPJQGV-NNYUYHANSA-N 2 0 228.336 0.650 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000646584634 388390447 /nfs/dbraw/zinc/39/04/47/388390447.db2.gz RJMSENFCVNXAOL-JTQLQIEISA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000646592916 388391858 /nfs/dbraw/zinc/39/18/58/388391858.db2.gz DWJKDVGCLULCAA-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000237275198 388392423 /nfs/dbraw/zinc/39/24/23/388392423.db2.gz MYZBHAQFDQBIBM-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CCCN(C(=O)CCC[NH3+])[C@H]1C[NH3+] ZINC000237398042 388393635 /nfs/dbraw/zinc/39/36/35/388393635.db2.gz JGXOYDOZQGBHEN-ZJUUUORDSA-N 2 0 213.325 0.311 20 0 BCADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)CC[NH3+] ZINC000646601047 388393687 /nfs/dbraw/zinc/39/36/87/388393687.db2.gz SAJWCKUXZYFZTO-JTQLQIEISA-N 2 0 237.303 0.160 20 0 BCADRP [NH3+]CC1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000646607964 388394167 /nfs/dbraw/zinc/39/41/67/388394167.db2.gz GTLYHYWBVNJFOM-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)C[NH3+] ZINC000237508543 388395591 /nfs/dbraw/zinc/39/55/91/388395591.db2.gz HEAQAZYBATYVOQ-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237472653 388395748 /nfs/dbraw/zinc/39/57/48/388395748.db2.gz AJBBSVGAFIPHGQ-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000237557986 388397197 /nfs/dbraw/zinc/39/71/97/388397197.db2.gz MMMSVLAAAWOXST-MWLCHTKSSA-N 2 0 213.325 0.087 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000237924120 388399190 /nfs/dbraw/zinc/39/91/90/388399190.db2.gz HPAFEEHIFRMURI-QJPTWQEYSA-N 2 0 239.363 0.844 20 0 BCADRP [NH3+]Cc1cc(C(=O)NC2CCC([NH3+])CC2)co1 ZINC000646664704 388406757 /nfs/dbraw/zinc/40/67/57/388406757.db2.gz OATLHBMXVGJECH-UHFFFAOYSA-N 2 0 237.303 0.738 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)CCC[NH3+] ZINC000572975694 388401081 /nfs/dbraw/zinc/40/10/81/388401081.db2.gz YKYRZNGEARXPSW-LLVKDONJSA-N 2 0 244.383 0.707 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCC[NH2+]C1 ZINC000646644856 388401114 /nfs/dbraw/zinc/40/11/14/388401114.db2.gz YKPXGTIJPNMMKI-NEPJUHHUSA-N 2 0 239.363 0.634 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000646649662 388401824 /nfs/dbraw/zinc/40/18/24/388401824.db2.gz PWDWWRNJSDKIMM-JGVFFNPUSA-N 2 0 235.278 0.227 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000646649661 388401980 /nfs/dbraw/zinc/40/19/80/388401980.db2.gz PWDWWRNJSDKIMM-HTQZYQBOSA-N 2 0 235.278 0.227 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)/C=C\C[NH+](C)C ZINC000492172051 388337413 /nfs/dbraw/zinc/33/74/13/388337413.db2.gz UIUBQVRCAAWKFB-FPLPWBNLSA-N 2 0 241.379 0.904 20 0 BCADRP O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000515054087 256730332 /nfs/dbraw/zinc/73/03/32/256730332.db2.gz AJFCHCFUFPRTFH-VXGBXAGGSA-N 2 0 239.363 0.634 20 0 BCADRP C[N@H+](CCC[NH3+])C[C@H]1CCCC[C@H]1O ZINC000336904829 388442326 /nfs/dbraw/zinc/44/23/26/388442326.db2.gz WLJOBFGDMUATQM-GHMZBOCLSA-N 2 0 200.326 0.818 20 0 BCADRP C[N@H+](CCC[NH3+])C[C@H]1CCCC[C@@H]1O ZINC000336904830 388442502 /nfs/dbraw/zinc/44/25/02/388442502.db2.gz WLJOBFGDMUATQM-MNOVXSKESA-N 2 0 200.326 0.818 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000646733296 388443989 /nfs/dbraw/zinc/44/39/89/388443989.db2.gz CPQZKQQZMGKQOT-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)[C@H](CO)C[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000394098115 388450681 /nfs/dbraw/zinc/45/06/81/388450681.db2.gz SARJPVALYLRHLH-AGIUHOORSA-N 2 0 244.379 0.608 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCN(C)C[C@H]1C ZINC000335663460 388454547 /nfs/dbraw/zinc/45/45/47/388454547.db2.gz PYCQIEIAPXJIRZ-ZJUUUORDSA-N 2 0 225.336 0.289 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CC=CCC2)C1 ZINC000526026301 388454684 /nfs/dbraw/zinc/45/46/84/388454684.db2.gz QGGBCJHWGBVGMV-LBPRGKRZSA-N 2 0 237.347 0.316 20 0 BCADRP [NH3+]C[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000336268324 388456368 /nfs/dbraw/zinc/45/63/68/388456368.db2.gz UUDYIBVLHHKFPR-NEPJUHHUSA-N 2 0 211.353 0.657 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]C1CC1 ZINC000649270771 388481131 /nfs/dbraw/zinc/48/11/31/388481131.db2.gz SRQVUMRQHJCKAX-QWRGUYRKSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H](C[NH2+]C1CCOCC1)C[NH+](C)C ZINC000336686641 388462376 /nfs/dbraw/zinc/46/23/76/388462376.db2.gz LOXOZVQSHXDHML-JTQLQIEISA-N 2 0 200.326 0.953 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000646669970 388409985 /nfs/dbraw/zinc/40/99/85/388409985.db2.gz KNZKPAFIDUGRMI-MXWKQRLJSA-N 2 0 225.336 0.182 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000646669968 388410423 /nfs/dbraw/zinc/41/04/23/388410423.db2.gz KNZKPAFIDUGRMI-AXFHLTTASA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000646673091 388411430 /nfs/dbraw/zinc/41/14/30/388411430.db2.gz BGCJVCUCYLWNKO-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP [NH3+]Cc1cc(C(=O)NCC[NH2+]C2CC2)co1 ZINC000646687191 388416311 /nfs/dbraw/zinc/41/63/11/388416311.db2.gz AFTZVHAOCPQUDD-UHFFFAOYSA-N 2 0 223.276 0.220 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000646696957 388418891 /nfs/dbraw/zinc/41/88/91/388418891.db2.gz DIIJORWHPYAESR-RYUDHWBXSA-N 2 0 247.342 0.801 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000646699042 388419916 /nfs/dbraw/zinc/41/99/16/388419916.db2.gz WVYYVNOAHWQMPZ-ZJUUUORDSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000573121497 388421582 /nfs/dbraw/zinc/42/15/82/388421582.db2.gz FYNXSOZNDSTJRC-AVGNSLFASA-N 2 0 242.363 0.851 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000573121500 388421761 /nfs/dbraw/zinc/42/17/61/388421761.db2.gz FYNXSOZNDSTJRC-YNEHKIRRSA-N 2 0 242.363 0.851 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000646713382 388426194 /nfs/dbraw/zinc/42/61/94/388426194.db2.gz IYSWHRLAESJPNR-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649285997 388538007 /nfs/dbraw/zinc/53/80/07/388538007.db2.gz IIBNMVGGEHJDRC-GDNZZTSVSA-N 2 0 237.347 0.004 20 0 BCADRP COC[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352926888 388540001 /nfs/dbraw/zinc/54/00/01/388540001.db2.gz YNDHUIAPPASACH-ZGVCCVRISA-N 2 0 242.363 0.551 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000261549636 135188465 /nfs/dbraw/zinc/18/84/65/135188465.db2.gz OWJALCAIYAZZHM-BDAKNGLRSA-N 2 0 215.341 0.603 20 0 BCADRP C[C@H](NC(=O)C1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000517234598 388543143 /nfs/dbraw/zinc/54/31/43/388543143.db2.gz MFMWPOSKZPRQFJ-JQWIXIFHSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000516968556 256779684 /nfs/dbraw/zinc/77/96/84/256779684.db2.gz GOZWKXJPGGLJRW-GARJFASQSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)c1c[nH+]ccc1N ZINC000517237947 388544963 /nfs/dbraw/zinc/54/49/63/388544963.db2.gz VDGWELUVSFGDIU-YUMQZZPRSA-N 2 0 222.292 0.350 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000261535281 388550742 /nfs/dbraw/zinc/55/07/42/388550742.db2.gz XUXYCUZWUVKJSZ-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP Cc1nocc1CNC[C@]1(O)CC[N@@H+](C)C1 ZINC000339347630 388483005 /nfs/dbraw/zinc/48/30/05/388483005.db2.gz CUZACURKSYPPJQ-LLVKDONJSA-N 2 0 225.292 0.139 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[NH3+] ZINC000649273129 388483580 /nfs/dbraw/zinc/48/35/80/388483580.db2.gz MCULTPDQBQBVDI-GHMZBOCLSA-N 2 0 227.352 0.666 20 0 BCADRP C[NH+](C)CCCNC(=O)C[C@H]1CCC[C@H]1[NH3+] ZINC000340112915 388487984 /nfs/dbraw/zinc/48/79/84/388487984.db2.gz VOPHNBHIAJFYFB-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP O=C(NCCC[C@@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000516569395 256792781 /nfs/dbraw/zinc/79/27/81/256792781.db2.gz KIRKMBMPMVCVTN-LBPRGKRZSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1c[nH+]ccc1N ZINC000517237944 256820765 /nfs/dbraw/zinc/82/07/65/256820765.db2.gz VDGWELUVSFGDIU-HTQZYQBOSA-N 2 0 222.292 0.350 20 0 BCADRP [NH3+]CCCCC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000646778602 388499156 /nfs/dbraw/zinc/49/91/56/388499156.db2.gz BDQJUERSTDLVIS-MNOVXSKESA-N 2 0 227.352 0.749 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649277105 388499887 /nfs/dbraw/zinc/49/98/87/388499887.db2.gz DDMZDWSIJZVERM-KKOKHZNYSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@@H](CC(=O)N(C)CCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000646783274 388501610 /nfs/dbraw/zinc/50/16/10/388501610.db2.gz ZHCCHGZKKCXQNV-NWDGAFQWSA-N 2 0 241.379 0.819 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000646797143 388507932 /nfs/dbraw/zinc/50/79/32/388507932.db2.gz KAFAIKNQYCWFBF-NEPJUHHUSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](COC)C1CC1 ZINC000397968754 388513961 /nfs/dbraw/zinc/51/39/61/388513961.db2.gz SGRFIWIYLUOFDO-KOLCDFICSA-N 2 0 200.326 0.857 20 0 BCADRP C[C@@H](O)[C@@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000516965532 256808893 /nfs/dbraw/zinc/80/88/93/256808893.db2.gz ZSCSOZRHFKYKEE-VXGBXAGGSA-N 2 0 243.395 0.371 20 0 BCADRP C[NH+](C)Cc1ccnc(NC(=O)[C@@H]2C[C@@H]2[NH3+])c1 ZINC000516865153 388521487 /nfs/dbraw/zinc/52/14/87/388521487.db2.gz RIBKNYIUBUTGOA-ZJUUUORDSA-N 2 0 234.303 0.429 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC(C)(C)C[NH+](C)C ZINC000516925951 388524456 /nfs/dbraw/zinc/52/44/56/388524456.db2.gz PEJNQHDSPLJBDE-UWVGGRQHSA-N 2 0 244.383 0.752 20 0 BCADRP O=C(NCC[NH+]1CCCCC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649282211 388524506 /nfs/dbraw/zinc/52/45/06/388524506.db2.gz NXDWRBLWEBJSKU-UTUOFQBUSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CCC[NH2+]C2)C1 ZINC000517030431 388533368 /nfs/dbraw/zinc/53/33/68/388533368.db2.gz OCXKTKYMYXVBKQ-IJLUTSLNSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@H]([NH3+])c1ccc(CNC(=O)C[NH+](C)C)cc1 ZINC000646805542 388535948 /nfs/dbraw/zinc/53/59/48/388535948.db2.gz ZAPFVRXZIKIMGS-JTQLQIEISA-N 2 0 235.331 0.884 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCN2CCCC2=O)C1 ZINC000517041047 388536243 /nfs/dbraw/zinc/53/62/43/388536243.db2.gz DBXKQLBOIBRFBN-NEPJUHHUSA-N 2 0 239.363 0.858 20 0 BCADRP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CC[NH2+]CC1 ZINC000082796471 388587878 /nfs/dbraw/zinc/58/78/78/388587878.db2.gz SHHZAOHMHCHEEB-ZDUSSCGKSA-N 2 0 245.326 0.305 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649308229 388594622 /nfs/dbraw/zinc/59/46/22/388594622.db2.gz VNUAOXWSGRCXIB-IQIPOGNMSA-N 2 0 235.331 0.090 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000649310585 388596290 /nfs/dbraw/zinc/59/62/90/388596290.db2.gz XBGPDOSISNNTBI-QWRGUYRKSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000646817589 388552894 /nfs/dbraw/zinc/55/28/94/388552894.db2.gz NRJWRVVKRTXXTI-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000517564924 388553484 /nfs/dbraw/zinc/55/34/84/388553484.db2.gz MOMHZMMGJKIKJR-VHSXEESVSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]([NH3+])CCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000364174776 388563895 /nfs/dbraw/zinc/56/38/95/388563895.db2.gz XGMTYGDRIOTOOV-ZJUUUORDSA-N 2 0 213.325 0.372 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000368563851 388569133 /nfs/dbraw/zinc/56/91/33/388569133.db2.gz WJEIHNAPWHBUSE-IVZWLZJFSA-N 2 0 213.325 0.099 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649297731 388575478 /nfs/dbraw/zinc/57/54/78/388575478.db2.gz UGMBHUNOFOMPQF-JZRPKSSGSA-N 2 0 249.358 0.195 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649298191 388576300 /nfs/dbraw/zinc/57/63/00/388576300.db2.gz YTRITYBZONFODO-QCNOEVLYSA-N 2 0 237.347 0.195 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649298190 388576311 /nfs/dbraw/zinc/57/63/11/388576311.db2.gz YTRITYBZONFODO-KKOKHZNYSA-N 2 0 237.347 0.195 20 0 BCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649298008 388576363 /nfs/dbraw/zinc/57/63/63/388576363.db2.gz JORVXXBUMSIFHD-WFFHOREQSA-N 2 0 249.358 0.337 20 0 BCADRP COC[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000245448164 388580419 /nfs/dbraw/zinc/58/04/19/388580419.db2.gz MQOAUEWEEMPEBI-QWRGUYRKSA-N 2 0 200.326 0.905 20 0 BCADRP COCC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248145363 388673918 /nfs/dbraw/zinc/67/39/18/388673918.db2.gz QCTKLCXRMOBWIJ-AGIUHOORSA-N 2 0 244.379 0.846 20 0 BCADRP CC(C)(C)[C@@H](CN)[NH2+]CC1CC[NH2+]CC1 ZINC000521627179 388620280 /nfs/dbraw/zinc/62/02/80/388620280.db2.gz ZTZVYGHSHYAWIX-LLVKDONJSA-N 2 0 213.369 0.949 20 0 BCADRP CCC[NH+]1CCC([NH2+]C[C@@H]2COCCN2)CC1 ZINC000530180779 388622404 /nfs/dbraw/zinc/62/24/04/388622404.db2.gz AKTQCZXGHLJZTC-CYBMUJFWSA-N 2 0 241.379 0.439 20 0 BCADRP CCn1nncc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000530206379 388626517 /nfs/dbraw/zinc/62/65/17/388626517.db2.gz BIZDIAKVQJUIGX-UWVGGRQHSA-N 2 0 223.324 0.658 20 0 BCADRP CCn1nncc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000530208551 388626653 /nfs/dbraw/zinc/62/66/53/388626653.db2.gz HPKUTUFBOPYUGY-GXSJLCMTSA-N 2 0 223.324 0.515 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1COCCN1 ZINC000530222951 388634193 /nfs/dbraw/zinc/63/41/93/388634193.db2.gz IUIZWDKGAVBJDH-TUAOUCFPSA-N 2 0 227.352 0.082 20 0 BCADRP C[C@@H](NC[C@@H]1COCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000530227413 388635140 /nfs/dbraw/zinc/63/51/40/388635140.db2.gz XJAQAKCSIKHEEA-IJLUTSLNSA-N 2 0 227.352 0.095 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCO)[C@@H](C)C1 ZINC000246418470 388635413 /nfs/dbraw/zinc/63/54/13/388635413.db2.gz BPXTWNGHMULXLK-WDEREUQCSA-N 2 0 200.326 0.641 20 0 BCADRP C[C@@H](NC[C@@H]1COCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000530227418 388635606 /nfs/dbraw/zinc/63/56/06/388635606.db2.gz XJAQAKCSIKHEEA-UTUOFQBUSA-N 2 0 227.352 0.095 20 0 BCADRP C[N@H+](C[C@@H](O)C[NH3+])CC1CC(C)(C)C1 ZINC000530226164 388635635 /nfs/dbraw/zinc/63/56/35/388635635.db2.gz NVFWSGPIMVCXNC-JTQLQIEISA-N 2 0 200.326 0.674 20 0 BCADRP C[C@@H]([NH3+])CN1CCC(C)([NH+]2CCOCC2)CC1 ZINC000530232795 388636340 /nfs/dbraw/zinc/63/63/40/388636340.db2.gz SNBIKXSCIJXEAK-GFCCVEGCSA-N 2 0 241.379 0.520 20 0 BCADRP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000521872898 388637671 /nfs/dbraw/zinc/63/76/71/388637671.db2.gz NEGMJWLNENAXFZ-QJPTWQEYSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000521876953 388638758 /nfs/dbraw/zinc/63/87/58/388638758.db2.gz LKEHTVMRNSYUIF-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246492159 388640693 /nfs/dbraw/zinc/64/06/93/388640693.db2.gz MHILTEGARHRASF-UTLUCORTSA-N 2 0 211.309 0.029 20 0 BCADRP Cn1ccnc1CNC1CC([NH+](C)C)C1 ZINC000521899088 388640767 /nfs/dbraw/zinc/64/07/67/388640767.db2.gz JFPVKAWKGMUDHU-UHFFFAOYSA-N 2 0 208.309 0.602 20 0 BCADRP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CC[NH2+]CC1 ZINC000250887889 388641296 /nfs/dbraw/zinc/64/12/96/388641296.db2.gz WUYBCLRWGWYGFI-UTUOFQBUSA-N 2 0 237.347 0.339 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCc3[nH]cnc3C2)C1 ZINC000551921753 388647653 /nfs/dbraw/zinc/64/76/53/388647653.db2.gz JXNMGFGQIRDKAU-ZJUUUORDSA-N 2 0 248.330 0.335 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)[C@@H]1C[NH3+] ZINC000246671319 388648228 /nfs/dbraw/zinc/64/82/28/388648228.db2.gz FKUHLYBTPJLSGH-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)CC[N@@H+]1C ZINC000128299191 388745180 /nfs/dbraw/zinc/74/51/80/388745180.db2.gz HHRVXZNVTQOLSG-CMPLNLGQSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000648730521 388751974 /nfs/dbraw/zinc/75/19/74/388751974.db2.gz FWKPFTKBXCIZMG-HBNTYKKESA-N 2 0 227.352 0.393 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000248973709 388702376 /nfs/dbraw/zinc/70/23/76/388702376.db2.gz DNTHZZDPMINCAA-VPOLOUISSA-N 2 0 227.352 0.556 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000155759544 388774415 /nfs/dbraw/zinc/77/44/15/388774415.db2.gz LJBQNZXSPGCRRL-NXEZZACHSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000564957803 388903022 /nfs/dbraw/zinc/90/30/22/388903022.db2.gz FJJSUBMWFSVXOL-ZJUUUORDSA-N 2 0 227.352 0.761 20 0 BCADRP C[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC000564835093 388892486 /nfs/dbraw/zinc/89/24/86/388892486.db2.gz UIOLPLURAXWIKU-MDZLAQPJSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC[NH2+]C(C)(C)C ZINC000564929234 388899006 /nfs/dbraw/zinc/89/90/06/388899006.db2.gz KWCKWOYRUPYPEZ-IUCAKERBSA-N 2 0 215.341 0.474 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000564970164 388903608 /nfs/dbraw/zinc/90/36/08/388903608.db2.gz JCZVGIAGYPAORQ-ZJUUUORDSA-N 2 0 237.351 0.758 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000564950706 388901421 /nfs/dbraw/zinc/90/14/21/388901421.db2.gz LGOYKXJHZZECTP-KXUCPTDWSA-N 2 0 213.325 0.357 20 0 BCADRP CN(C)C(=O)C(C)(C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000564973737 388902005 /nfs/dbraw/zinc/90/20/05/388902005.db2.gz VIVUBTWJCFZSPK-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000564981083 388905445 /nfs/dbraw/zinc/90/54/45/388905445.db2.gz GXDXYJSRQVCECI-GRYCIOLGSA-N 2 0 233.315 0.540 20 0 BCADRP C[N@H+](CCNC(=O)C1([NH3+])CC1)Cc1ccccc1 ZINC000262153065 388906892 /nfs/dbraw/zinc/90/68/92/388906892.db2.gz RWODPFPAQJMDJE-UHFFFAOYSA-N 2 0 247.342 0.726 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000565003617 388907824 /nfs/dbraw/zinc/90/78/24/388907824.db2.gz LAGKJCJKYFVSGU-DMDPSCGWSA-N 2 0 249.358 0.798 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H](C)C[C@H](C)[NH3+])[NH+](C)C ZINC000565041292 388909311 /nfs/dbraw/zinc/90/93/11/388909311.db2.gz UUAYCROXSKJJNW-HBNTYKKESA-N 2 0 229.368 0.815 20 0 BCADRP C[NH2+]CCC[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000565046101 388911884 /nfs/dbraw/zinc/91/18/84/388911884.db2.gz CCXUBDWZBMWZCR-GFCCVEGCSA-N 2 0 236.363 0.894 20 0 BCADRP CC[N@H+](CC1CC1)C[C@](C)(O)C[NH2+]C ZINC000565095784 388913815 /nfs/dbraw/zinc/91/38/15/388913815.db2.gz RSXHRLVMHHIILI-LLVKDONJSA-N 2 0 200.326 0.689 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CC1(C[NH3+])CC1 ZINC000565155099 388918109 /nfs/dbraw/zinc/91/81/09/388918109.db2.gz CYBJOMIHNJILPL-NXEZZACHSA-N 2 0 225.336 0.454 20 0 BCADRP CC(C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000163126274 388921976 /nfs/dbraw/zinc/92/19/76/388921976.db2.gz LFUYLIJVKBITGJ-GHMZBOCLSA-N 2 0 227.352 0.761 20 0 BCADRP [NH3+]CCC[NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000565234437 388929897 /nfs/dbraw/zinc/92/98/97/388929897.db2.gz UCTURGFBKZLFGA-NEPJUHHUSA-N 2 0 239.363 0.858 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000564981088 388905074 /nfs/dbraw/zinc/90/50/74/388905074.db2.gz GXDXYJSRQVCECI-TUAOUCFPSA-N 2 0 233.315 0.540 20 0 BCADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000565658722 388960571 /nfs/dbraw/zinc/96/05/71/388960571.db2.gz QSIDNHFVPLMJLV-AAEUAGOBSA-N 3 0 225.380 0.964 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000565363666 388938865 /nfs/dbraw/zinc/93/88/65/388938865.db2.gz NYPWGKXIVLLITG-STQMWFEESA-N 2 0 225.380 0.917 20 0 BCADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(C)(COC)CC1 ZINC000565367796 388940386 /nfs/dbraw/zinc/94/03/86/388940386.db2.gz ISKMQIBBLQDFBB-ZDUSSCGKSA-N 2 0 244.379 0.705 20 0 BCADRP C[C@@H]1CCN(C(=O)C[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000565410926 388941237 /nfs/dbraw/zinc/94/12/37/388941237.db2.gz BOEOQIMTZAFCIO-NXEZZACHSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]1CCN(C(=O)C[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000565410932 388941348 /nfs/dbraw/zinc/94/13/48/388941348.db2.gz BOEOQIMTZAFCIO-VHSXEESVSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]C[C@H]1CCC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000565421705 388942876 /nfs/dbraw/zinc/94/28/76/388942876.db2.gz ARTSYSFZRJCPMP-OLZOCXBDSA-N 2 0 242.363 0.853 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000565419851 388942973 /nfs/dbraw/zinc/94/29/73/388942973.db2.gz HNSBCXWUFGYGPY-WCQYABFASA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000565480211 388949024 /nfs/dbraw/zinc/94/90/24/388949024.db2.gz BGSDRZOCRNZMBA-UPJWGTAASA-N 2 0 242.363 0.851 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000565886989 388976767 /nfs/dbraw/zinc/97/67/67/388976767.db2.gz JBYXKUVAVRIJAO-UTUOFQBUSA-N 2 0 239.363 0.524 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)CC1(C[NH3+])CC1 ZINC000566101273 388986928 /nfs/dbraw/zinc/98/69/28/388986928.db2.gz WBJWAPHSYVIGMF-UHFFFAOYSA-N 2 0 227.352 0.749 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])[C@@H](C)[NH3+] ZINC000565835154 388972211 /nfs/dbraw/zinc/97/22/11/388972211.db2.gz NUMLZHNGQKDGQE-UKKRHICBSA-N 2 0 229.368 0.848 20 0 BCADRP C[C@@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)[C@H](C)[NH3+] ZINC000493897161 533260564 /nfs/dbraw/zinc/26/05/64/533260564.db2.gz LZGLAXVLZSQYIF-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC000259245517 533363334 /nfs/dbraw/zinc/36/33/34/533363334.db2.gz LXOLXEONCZUKFL-CYBMUJFWSA-N 2 0 239.363 0.004 20 0 BCADRP C([NH2+][C@@H]1CCCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000335640824 533368358 /nfs/dbraw/zinc/36/83/58/533368358.db2.gz AKHZZDPXCZBEHQ-GFCCVEGCSA-N 3 0 211.353 0.718 20 0 BCADRP C[C@@H](C(=O)N1CCC(C[NH+](C)C)CC1)[C@H](C)[NH3+] ZINC000156668346 133471147 /nfs/dbraw/zinc/47/11/47/133471147.db2.gz GEHISKYCWYFVMK-MNOVXSKESA-N 2 0 241.379 0.770 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCCCC[NH+](C)C ZINC000069840090 133533094 /nfs/dbraw/zinc/53/30/94/133533094.db2.gz OBYRNMDWDNYKOP-SNVBAGLBSA-N 2 0 215.341 0.572 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NCC2([NH3+])CCC2)CC[NH2+]1 ZINC000335895098 133953087 /nfs/dbraw/zinc/95/30/87/133953087.db2.gz JBFXFYIWYAZJOZ-UWVGGRQHSA-N 2 0 225.336 0.372 20 0 BCADRP CNC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000335930961 134010536 /nfs/dbraw/zinc/01/05/36/134010536.db2.gz HNPMHONDDUPECM-CYBMUJFWSA-N 2 0 239.363 0.540 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000335957372 134023685 /nfs/dbraw/zinc/02/36/85/134023685.db2.gz BVEKVPGOWGMCNT-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000335990081 134040048 /nfs/dbraw/zinc/04/00/48/134040048.db2.gz HCWLXDVFWAQAAK-RNCFNFMXSA-N 2 0 245.326 0.852 20 0 BCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CN(C)C ZINC000336003230 134048106 /nfs/dbraw/zinc/04/81/06/134048106.db2.gz JJWBDPDEGAZBFO-LLVKDONJSA-N 2 0 227.352 0.347 20 0 BCADRP CN(C)C(=O)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000336010458 134050669 /nfs/dbraw/zinc/05/06/69/134050669.db2.gz YXXGDCVELUIHHH-NSHDSACASA-N 2 0 227.352 0.491 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000336118322 134089409 /nfs/dbraw/zinc/08/94/09/134089409.db2.gz RPNFYULUGUWAGR-QWRGUYRKSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000336118321 134089500 /nfs/dbraw/zinc/08/95/00/134089500.db2.gz RPNFYULUGUWAGR-MNOVXSKESA-N 2 0 225.336 0.326 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C2([NH3+])CCC2)C1 ZINC000336219394 134138626 /nfs/dbraw/zinc/13/86/26/134138626.db2.gz NQKONGSKPOEBLJ-GHMZBOCLSA-N 2 0 239.363 0.857 20 0 BCADRP CC[C@H](C)NC(=O)CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167793817 134153701 /nfs/dbraw/zinc/15/37/01/134153701.db2.gz NEMHTLDGFULRLU-SDDRHHMPSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH+](C)CC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000168668162 134240487 /nfs/dbraw/zinc/24/04/87/134240487.db2.gz FDDDXLPQUNCEPG-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)C[NH+](C)C ZINC000168721642 134247492 /nfs/dbraw/zinc/24/74/92/134247492.db2.gz QGHLMTPAMAQKMA-JTQLQIEISA-N 2 0 201.314 0.038 20 0 BCADRP C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@@H](C[NH3+])C1 ZINC000217553488 134248201 /nfs/dbraw/zinc/24/82/01/134248201.db2.gz LBUOIZNILFZBKD-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000169033126 134249179 /nfs/dbraw/zinc/24/91/79/134249179.db2.gz VTBDKBMVOKAFRD-IVZWLZJFSA-N 2 0 213.325 0.323 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)C[NH3+] ZINC000218882759 134265542 /nfs/dbraw/zinc/26/55/42/134265542.db2.gz AOEJIMFSALFFOE-VHSXEESVSA-N 2 0 215.341 0.428 20 0 BCADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000178249541 134305511 /nfs/dbraw/zinc/30/55/11/134305511.db2.gz NSGPONINMBOALO-CABZTGNLSA-N 2 0 249.314 0.633 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000178409711 134310013 /nfs/dbraw/zinc/31/00/13/134310013.db2.gz DISCEGYSBKDPQV-CYBMUJFWSA-N 2 0 247.342 0.897 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000178405426 134310172 /nfs/dbraw/zinc/31/01/72/134310172.db2.gz QWKMIMWYFPRDOD-PWSUYJOCSA-N 2 0 233.315 0.494 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747914 134310886 /nfs/dbraw/zinc/31/08/86/134310886.db2.gz LDCRAJKJMQGDMW-UHFFFAOYSA-N 2 0 225.336 0.422 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOCCOC)[C@H](C)C1 ZINC000178632096 134312437 /nfs/dbraw/zinc/31/24/37/134312437.db2.gz QZJFFPBONKKYDV-CHWSQXEVSA-N 2 0 244.379 0.969 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000178809340 134314954 /nfs/dbraw/zinc/31/49/54/134314954.db2.gz GWWCQXYTMSWICK-RYUDHWBXSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@@H](NC(=O)[C@H](C)[NH3+])C(C)(C)C[NH+](C)C ZINC000178817805 134315469 /nfs/dbraw/zinc/31/54/69/134315469.db2.gz OPVHUGYVEFBHED-DTWKUNHWSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000178866978 134315640 /nfs/dbraw/zinc/31/56/40/134315640.db2.gz AEDKBIUBNWOWIL-HLTSFMKQSA-N 2 0 211.309 0.075 20 0 BCADRP C[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000178815606 134315839 /nfs/dbraw/zinc/31/58/39/134315839.db2.gz HSDPWMBBRFGBOA-UWVGGRQHSA-N 2 0 213.325 0.147 20 0 BCADRP CCCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1CC[NH2+]C1 ZINC000178885282 134315937 /nfs/dbraw/zinc/31/59/37/134315937.db2.gz APUPXQINVOAZAB-GFCCVEGCSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000178866990 134315950 /nfs/dbraw/zinc/31/59/50/134315950.db2.gz AEDKBIUBNWOWIL-IWSPIJDZSA-N 2 0 211.309 0.075 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000178870872 134316327 /nfs/dbraw/zinc/31/63/27/134316327.db2.gz SBLMRGFNYCCZSL-SKDRFNHKSA-N 2 0 243.326 0.274 20 0 BCADRP C[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000225959351 134358043 /nfs/dbraw/zinc/35/80/43/134358043.db2.gz CPASRYJVBXTINR-SRVKXCTJSA-N 2 0 212.337 0.783 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000184958456 134371842 /nfs/dbraw/zinc/37/18/42/134371842.db2.gz BYPSLCXZADMHIZ-HBNTYKKESA-N 2 0 225.336 0.182 20 0 BCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188185536 134494365 /nfs/dbraw/zinc/49/43/65/134494365.db2.gz IOWHHWBGARRVHZ-GARJFASQSA-N 2 0 243.326 0.192 20 0 BCADRP C[C@@H]1C[C@@H](C(=O)NCC(C)(C)[NH+](C)C)CC[NH2+]1 ZINC000235271143 134590324 /nfs/dbraw/zinc/59/03/24/134590324.db2.gz CZIDVCYBXRENAL-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP COC[C@@H]([NH3+])C(=O)NCC[NH+](C(C)C)C(C)C ZINC000159546301 134779485 /nfs/dbraw/zinc/77/94/85/134779485.db2.gz PHKXOSFMRJXBOD-LLVKDONJSA-N 2 0 245.367 0.195 20 0 BCADRP CC(C)([NH3+])CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185026029 134929896 /nfs/dbraw/zinc/92/98/96/134929896.db2.gz XIAKMJBWAAIRED-AEJSXWLSSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@]2(C)CCCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000248391418 135001183 /nfs/dbraw/zinc/00/11/83/135001183.db2.gz CCXSHRITHOQCED-NQBHXWOUSA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH2+]3)C[C@@H]12 ZINC000248568244 135004956 /nfs/dbraw/zinc/00/49/56/135004956.db2.gz CEGAKGSHZHSQCN-KKOKHZNYSA-N 2 0 237.347 0.324 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248567479 135005060 /nfs/dbraw/zinc/00/50/60/135005060.db2.gz BYPSLCXZADMHIZ-DCAQKATOSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH2+]3)C[C@@H]12 ZINC000248568243 135005179 /nfs/dbraw/zinc/00/51/79/135005179.db2.gz CEGAKGSHZHSQCN-DDHJBXDOSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH2+]C3)C[C@H]12 ZINC000248602732 135015654 /nfs/dbraw/zinc/01/56/54/135015654.db2.gz JHZBOLDMPYWUIH-WHOHXGKFSA-N 2 0 237.347 0.182 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000248604432 135016098 /nfs/dbraw/zinc/01/60/98/135016098.db2.gz JRDRNQVBYUUAEV-SVNGYHJRSA-N 2 0 237.347 0.310 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248627931 135017460 /nfs/dbraw/zinc/01/74/60/135017460.db2.gz OMFLQKLKNVKDOB-NGDQXYMTSA-N 2 0 237.347 0.310 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3([NH3+])CCCC3)C[C@H]12 ZINC000248666375 135018438 /nfs/dbraw/zinc/01/84/38/135018438.db2.gz WQJQLLRUZYXTMN-OUAUKWLOSA-N 2 0 237.347 0.454 20 0 BCADRP C[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248662296 135018689 /nfs/dbraw/zinc/01/86/89/135018689.db2.gz YGRFFFNXUVEJEC-NEPJUHHUSA-N 2 0 212.337 0.785 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000248857301 135023313 /nfs/dbraw/zinc/02/33/13/135023313.db2.gz LGHKLMXHRLRQAP-LPEHRKFASA-N 2 0 213.325 0.323 20 0 BCADRP C1C[C@@H]2C[C@@H]([NH2+][C@H]3CCOC3)CC[N@@H+]2C1 ZINC000251099793 135064411 /nfs/dbraw/zinc/06/44/11/135064411.db2.gz JSZXLGPKWCXSBP-SDDRHHMPSA-N 2 0 210.321 0.992 20 0 BCADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1COCCO1 ZINC000251325715 135068100 /nfs/dbraw/zinc/06/81/00/135068100.db2.gz OQDMYZADAXSOJT-XQQFMLRXSA-N 2 0 240.347 0.618 20 0 BCADRP C[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000251646531 135073193 /nfs/dbraw/zinc/07/31/93/135073193.db2.gz GEIDDZKMQLSEPV-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000238022467 135074256 /nfs/dbraw/zinc/07/42/56/135074256.db2.gz VJFIYOBYSMEZAW-NWDGAFQWSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCC[NH3+] ZINC000251706477 135074684 /nfs/dbraw/zinc/07/46/84/135074684.db2.gz JEDOTZQUTDJMHG-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251799549 135078336 /nfs/dbraw/zinc/07/83/36/135078336.db2.gz NWPSSCNPVYZVNX-UTUOFQBUSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]1C[N@H+](CCOCC[NH3+])CCCO1 ZINC000086435709 135084002 /nfs/dbraw/zinc/08/40/02/135084002.db2.gz TYUYKELUMQRZGY-JTQLQIEISA-N 2 0 202.298 0.073 20 0 BCADRP C[N@H+](C[C@@H]1CCOC1)CC1CC[NH2+]CC1 ZINC000086701721 135094924 /nfs/dbraw/zinc/09/49/24/135094924.db2.gz JBJCQHSREXXTSE-LBPRGKRZSA-N 2 0 212.337 0.954 20 0 BCADRP COC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000086700622 135095507 /nfs/dbraw/zinc/09/55/07/135095507.db2.gz GFAMJCNRBUNIRK-OLZOCXBDSA-N 2 0 244.379 0.704 20 0 BCADRP C[S@](=O)CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703338 135097845 /nfs/dbraw/zinc/09/78/45/135097845.db2.gz WQBGQSDNBSSOLL-MKBNYLNASA-N 2 0 244.404 0.971 20 0 BCADRP C[C@H]1CN(C)CC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC000252710116 135099149 /nfs/dbraw/zinc/09/91/49/135099149.db2.gz FSJHSJSCZGRDRE-WDEREUQCSA-N 2 0 248.392 0.351 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCC(=O)N(C)C ZINC000252715021 135101603 /nfs/dbraw/zinc/10/16/03/135101603.db2.gz UIQRIJGOWMEQOL-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCn1cccn1 ZINC000252730607 135103833 /nfs/dbraw/zinc/10/38/33/135103833.db2.gz MCNNNBBLNLQEJE-VXGBXAGGSA-N 2 0 222.336 0.813 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCn1cccn1 ZINC000252730606 135103896 /nfs/dbraw/zinc/10/38/96/135103896.db2.gz MCNNNBBLNLQEJE-NWDGAFQWSA-N 2 0 222.336 0.813 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCOCCO ZINC000252769204 135108389 /nfs/dbraw/zinc/10/83/89/135108389.db2.gz HJWWAFUBFJRFOT-VXGBXAGGSA-N 2 0 230.352 0.315 20 0 BCADRP COc1ccccc1[C@H]1C[NH2+]CCN1CC[NH3+] ZINC000262222139 135116934 /nfs/dbraw/zinc/11/69/34/135116934.db2.gz MTBQXYLDSDXXML-GFCCVEGCSA-N 2 0 235.331 0.600 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000262394252 135117746 /nfs/dbraw/zinc/11/77/46/135117746.db2.gz PZJBEEPGFLBSOF-ZYHUDNBSSA-N 2 0 227.352 0.633 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000258416246 135132787 /nfs/dbraw/zinc/13/27/87/135132787.db2.gz IZQHUBGGEJFXMT-MNOVXSKESA-N 2 0 240.351 0.132 20 0 BCADRP O=C([C@@H]1CC[NH2+]C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257669908 135138390 /nfs/dbraw/zinc/13/83/90/135138390.db2.gz IFEAKTQUKCZPOU-DGCLKSJQSA-N 2 0 237.347 0.198 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000257697833 135139985 /nfs/dbraw/zinc/13/99/85/135139985.db2.gz NLFJEJOSPQIOQD-VXGBXAGGSA-N 2 0 239.363 0.811 20 0 BCADRP C(C1CC1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000257727221 135140494 /nfs/dbraw/zinc/14/04/94/135140494.db2.gz QLBRLKOBZIZWMU-LBPRGKRZSA-N 2 0 209.337 0.376 20 0 BCADRP O=C([C@H]1CC[NH2+]C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257725676 135140712 /nfs/dbraw/zinc/14/07/12/135140712.db2.gz WJPDTHZPIKVZFH-AAEUAGOBSA-N 2 0 237.347 0.198 20 0 BCADRP Cc1n[nH]cc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000257764749 135142104 /nfs/dbraw/zinc/14/21/04/135142104.db2.gz ZAAZEKDLPIQTJR-ZDUSSCGKSA-N 2 0 249.362 0.198 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000261545433 135147449 /nfs/dbraw/zinc/14/74/49/135147449.db2.gz JYUVEUXOAWVEAJ-ONGXEEELSA-N 2 0 213.325 0.243 20 0 BCADRP CC(C)NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261545664 135150044 /nfs/dbraw/zinc/15/00/44/135150044.db2.gz GFZVJNNRUBDUNA-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[N@H+](CCO)C[C@]1(C)CC[NH2+]C1 ZINC000261528987 135154734 /nfs/dbraw/zinc/15/47/34/135154734.db2.gz YWMQCGATGJQOSN-LLVKDONJSA-N 2 0 200.326 0.690 20 0 BCADRP Cc1cnn(CCN(C)[C@H]2CC[NH2+]C2)c1 ZINC000261529536 135155669 /nfs/dbraw/zinc/15/56/69/135155669.db2.gz AYZKRFHYOSJLKR-NSHDSACASA-N 2 0 208.309 0.485 20 0 BCADRP C[C@@H]1CN(CCc2cccnc2)C[C@H]1[NH3+] ZINC000261531225 135159612 /nfs/dbraw/zinc/15/96/12/135159612.db2.gz FTQSGMDAIISNIO-ZYHUDNBSSA-N 2 0 205.305 0.903 20 0 BCADRP c1cn(CCC[NH2+]C[C@@H]2CCC[NH2+]C2)cn1 ZINC000087646295 135161296 /nfs/dbraw/zinc/16/12/96/135161296.db2.gz DINCDVIUCVFZIT-GFCCVEGCSA-N 2 0 222.336 0.862 20 0 BCADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H](CO)O1 ZINC000261533704 135166182 /nfs/dbraw/zinc/16/61/82/135166182.db2.gz KOTFVZWGFHQFIP-ZYHUDNBSSA-N 2 0 228.336 0.068 20 0 BCADRP C[C@@]1(C(N)=O)CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261534182 135167027 /nfs/dbraw/zinc/16/70/27/135167027.db2.gz OEKKUUMFGWNBMJ-CMPLNLGQSA-N 2 0 225.336 0.183 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000353168506 135167417 /nfs/dbraw/zinc/16/74/17/135167417.db2.gz JYQADJKLNPGRAD-VWYCJHECSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1C[N@H+](CCc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000261535475 135169777 /nfs/dbraw/zinc/16/97/77/135169777.db2.gz ZJAGLBAFOSSRIK-ZYHUDNBSSA-N 2 0 222.336 0.632 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000261536698 135171840 /nfs/dbraw/zinc/17/18/40/135171840.db2.gz SNPIYIJWDRLIAG-JTQLQIEISA-N 2 0 201.314 0.357 20 0 BCADRP C[N@H+](CCn1cncn1)CC(C)(C)C[NH3+] ZINC000261536469 135172302 /nfs/dbraw/zinc/17/23/02/135172302.db2.gz RVLFESZMVLXKAZ-UHFFFAOYSA-N 2 0 211.313 0.195 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)CC[C@@H](C)[NH3+] ZINC000261539471 135178192 /nfs/dbraw/zinc/17/81/92/135178192.db2.gz CNLAICPMKQGXLR-SECBINFHSA-N 2 0 215.341 0.748 20 0 BCADRP C[C@@H]1[C@H](C)NCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261541471 135181035 /nfs/dbraw/zinc/18/10/35/135181035.db2.gz GADIZCQTGUNUAJ-WDEREUQCSA-N 2 0 211.353 0.668 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+](C)C ZINC000261542933 135183181 /nfs/dbraw/zinc/18/31/81/135183181.db2.gz HGSMODCCPVYXEW-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000261543122 135183681 /nfs/dbraw/zinc/18/36/81/135183681.db2.gz HMHCDBSVKUVFCZ-KOLCDFICSA-N 2 0 213.325 0.357 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000261543121 135184215 /nfs/dbraw/zinc/18/42/15/135184215.db2.gz HMHCDBSVKUVFCZ-GXSJLCMTSA-N 2 0 213.325 0.357 20 0 BCADRP COCC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000261543579 135185036 /nfs/dbraw/zinc/18/50/36/135185036.db2.gz UTRMNSBNZXJYCE-XQQFMLRXSA-N 2 0 244.379 0.881 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000261544484 135185194 /nfs/dbraw/zinc/18/51/94/135185194.db2.gz YRGDUHRTSZKUQO-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCN1CCOCC1 ZINC000261543991 135185236 /nfs/dbraw/zinc/18/52/36/135185236.db2.gz DKQHHBWBCZCDTP-GFCCVEGCSA-N 2 0 241.379 0.296 20 0 BCADRP C[N@H+](CCOCC[NH3+])CCC1CCOCC1 ZINC000261544215 135185397 /nfs/dbraw/zinc/18/53/97/135185397.db2.gz IPWKSIYYSNKCDC-UHFFFAOYSA-N 2 0 230.352 0.710 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000261550414 135188964 /nfs/dbraw/zinc/18/89/64/135188964.db2.gz PKRRFVQVBMIXLM-KOLCDFICSA-N 2 0 213.325 0.372 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000261550415 135189579 /nfs/dbraw/zinc/18/95/79/135189579.db2.gz PKRRFVQVBMIXLM-MWLCHTKSSA-N 2 0 213.325 0.372 20 0 BCADRP Cn1cc(CC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000261551020 135190159 /nfs/dbraw/zinc/19/01/59/135190159.db2.gz LUDZPQCSBNOYPO-ZDUSSCGKSA-N 2 0 234.347 0.648 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000261552413 135191027 /nfs/dbraw/zinc/19/10/27/135191027.db2.gz RJZZNEZGHVSIBX-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CC[C@@H]1O ZINC000261555775 135195331 /nfs/dbraw/zinc/19/53/31/135195331.db2.gz VGWZHVOJHQZODK-GRYCIOLGSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@@H]1CCCN(CCOCC[NH3+])[C@@H]1C[NH3+] ZINC000261555497 135195386 /nfs/dbraw/zinc/19/53/86/135195386.db2.gz VBYBWGADLDPPID-GHMZBOCLSA-N 2 0 215.341 0.021 20 0 BCADRP C[NH+](C)CC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000261556467 135196758 /nfs/dbraw/zinc/19/67/58/135196758.db2.gz QTMDGRHMEZHVGE-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP CC(C)(C)NC(=O)CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261563348 135204959 /nfs/dbraw/zinc/20/49/59/135204959.db2.gz WZDJQVFGBWJUQA-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP c1cnn(CC[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261564167 135206372 /nfs/dbraw/zinc/20/63/72/135206372.db2.gz XNRSRLFSIKAPTD-UHFFFAOYSA-N 2 0 234.347 0.959 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084308884 135207191 /nfs/dbraw/zinc/20/71/91/135207191.db2.gz RBFDTBWDEMHWLI-MNOVXSKESA-N 2 0 227.352 0.429 20 0 BCADRP CCOC(=O)CC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000261569692 135211263 /nfs/dbraw/zinc/21/12/63/135211263.db2.gz GKZBJYKBGJJIMX-JTQLQIEISA-N 2 0 228.336 0.917 20 0 BCADRP C[C@@H](Cn1cncn1)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000164123496 135213041 /nfs/dbraw/zinc/21/30/41/135213041.db2.gz RRKHONOHMNEOPY-SRVKXCTJSA-N 2 0 237.351 0.739 20 0 BCADRP Cc1n[nH]cc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261572004 135214042 /nfs/dbraw/zinc/21/40/42/135214042.db2.gz HYJUGLMDBHIESU-WCBMZHEXSA-N 2 0 208.309 0.887 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000261574133 135215765 /nfs/dbraw/zinc/21/57/65/135215765.db2.gz JCOVBVMXLCGIFB-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000261574131 135216094 /nfs/dbraw/zinc/21/60/94/135216094.db2.gz JCOVBVMXLCGIFB-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000261577349 135218451 /nfs/dbraw/zinc/21/84/51/135218451.db2.gz LBGOMQGPFSUKBW-WCABBAIRSA-N 2 0 215.341 0.459 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)CC[C@H](C)[NH3+] ZINC000261578906 135219968 /nfs/dbraw/zinc/21/99/68/135219968.db2.gz LZOYYVZOZOSQBB-UWVGGRQHSA-N 2 0 215.341 0.603 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)CC[C@@H](C)[NH3+] ZINC000261578905 135220121 /nfs/dbraw/zinc/22/01/21/135220121.db2.gz LZOYYVZOZOSQBB-NXEZZACHSA-N 2 0 215.341 0.603 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NC(C)(C)C[NH3+] ZINC000261582703 135223123 /nfs/dbraw/zinc/22/31/23/135223123.db2.gz ONVPTZGRTOACMU-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP CN(CC(C)(C)[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261583034 135223975 /nfs/dbraw/zinc/22/39/75/135223975.db2.gz OUIATQINKXTFQI-NSHDSACASA-N 2 0 211.353 0.892 20 0 BCADRP CC[NH+](CC)CCO[C@@H]1CCN(CC[NH3+])C1 ZINC000261587961 135228516 /nfs/dbraw/zinc/22/85/16/135228516.db2.gz SAIIHLVSCUPMIZ-GFCCVEGCSA-N 2 0 229.368 0.378 20 0 BCADRP c1cnn(CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261590311 135231291 /nfs/dbraw/zinc/23/12/91/135231291.db2.gz UMFQIVHIEUBDHO-GFCCVEGCSA-N 2 0 220.320 0.569 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1CC[NH2+]1 ZINC000261593587 135234639 /nfs/dbraw/zinc/23/46/39/135234639.db2.gz WYOLVPORLLJJBG-MWLCHTKSSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000261597526 135236452 /nfs/dbraw/zinc/23/64/52/135236452.db2.gz ZEMRZGKWEQUHJS-MNOVXSKESA-N 2 0 223.324 0.337 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[C@H](C)[NH3+] ZINC000261547088 135239711 /nfs/dbraw/zinc/23/97/11/135239711.db2.gz LUJVSUVQHUJLFG-KYXWUPHJSA-N 2 0 213.325 0.179 20 0 BCADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000261548159 135241514 /nfs/dbraw/zinc/24/15/14/135241514.db2.gz NEYRBIOJBOJAAJ-WOPDTQHZSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@]1(C[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261687606 135246197 /nfs/dbraw/zinc/24/61/97/135246197.db2.gz AQLOHXXXPTZXNY-PWSUYJOCSA-N 2 0 225.336 0.183 20 0 BCADRP COC(=O)[C@]1(C)CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261716675 135247682 /nfs/dbraw/zinc/24/76/82/135247682.db2.gz FFKNHJZTGJLLBK-CHWSQXEVSA-N 2 0 240.347 0.871 20 0 BCADRP CCNC(=O)CN(CC)C[C@]1(C)CC[NH2+]C1 ZINC000261734850 135248886 /nfs/dbraw/zinc/24/88/86/135248886.db2.gz HRWZFPONIIOUSE-GFCCVEGCSA-N 2 0 227.352 0.444 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000084420063 135249259 /nfs/dbraw/zinc/24/92/59/135249259.db2.gz MCYDCWWCGNXKGF-GHMZBOCLSA-N 2 0 225.336 0.291 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)CCC[NH3+])C1 ZINC000084420037 135249525 /nfs/dbraw/zinc/24/95/25/135249525.db2.gz BNWWBOIWRXMGMH-SNVBAGLBSA-N 2 0 213.325 0.278 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C2C[NH2+]C2)C1 ZINC000084412046 135249630 /nfs/dbraw/zinc/24/96/30/135249630.db2.gz PQVVYTYOPGOXPF-LLVKDONJSA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261763308 135250365 /nfs/dbraw/zinc/25/03/65/135250365.db2.gz RJWZCSDWSCFEJG-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCNC1=[NH+]CCCN1 ZINC000261765827 135251386 /nfs/dbraw/zinc/25/13/86/135251386.db2.gz MANYVWBCJSJFCX-NSHDSACASA-N 2 0 224.352 0.800 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCNC1=[NH+]CCCN1 ZINC000261765823 135251967 /nfs/dbraw/zinc/25/19/67/135251967.db2.gz MANYVWBCJSJFCX-LLVKDONJSA-N 2 0 224.352 0.800 20 0 BCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)[NH3+] ZINC000261782405 135252374 /nfs/dbraw/zinc/25/23/74/135252374.db2.gz JQIOJXDBYKOFOP-UTUOFQBUSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000261826371 135256292 /nfs/dbraw/zinc/25/62/92/135256292.db2.gz ISTJNHUCAZSBBE-GARJFASQSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@@H]([NH3+])CN(CC[NH3+])CCc1ccccc1 ZINC000261863311 135257829 /nfs/dbraw/zinc/25/78/29/135257829.db2.gz ZQPVUWGZOPUPHR-GFCCVEGCSA-N 2 0 221.348 0.837 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000261860068 135258440 /nfs/dbraw/zinc/25/84/40/135258440.db2.gz POGKKVMNTFOBMG-GARJFASQSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H](CNC(=O)C[C@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000261882547 135259724 /nfs/dbraw/zinc/25/97/24/135259724.db2.gz RXUCZJRICWACDQ-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP COC(=O)[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261887171 135259875 /nfs/dbraw/zinc/25/98/75/135259875.db2.gz SDQKUAVJQIPMDX-WCQYABFASA-N 2 0 240.347 0.871 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000261933120 135264579 /nfs/dbraw/zinc/26/45/79/135264579.db2.gz ZDXMPJOSQUAGRK-SNVBAGLBSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261943115 135265109 /nfs/dbraw/zinc/26/51/09/135265109.db2.gz NVNCJDMYTLVMIH-JFGNBEQYSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261956354 135265686 /nfs/dbraw/zinc/26/56/86/135265686.db2.gz IWMZGMRPBRSUEZ-LOWVWBTDSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@]1(C[N@@H+]2CCSC[C@H]2CCO)CC[NH2+]C1 ZINC000261986604 135269983 /nfs/dbraw/zinc/26/99/83/135269983.db2.gz JTNDUOPDFVIFNV-NEPJUHHUSA-N 2 0 244.404 0.786 20 0 BCADRP [NH3+]CC1(C(=O)NC[C@@H]([NH3+])C2CC2)CCCC1 ZINC000262000248 135271421 /nfs/dbraw/zinc/27/14/21/135271421.db2.gz ZWHDNRJCKMHNBF-SNVBAGLBSA-N 2 0 225.336 0.359 20 0 BCADRP COC(=O)[C@@H](C)C[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261999383 135271705 /nfs/dbraw/zinc/27/17/05/135271705.db2.gz LELBTJJVJWJBKL-CMPLNLGQSA-N 2 0 228.336 0.727 20 0 BCADRP CC[N@H+](CCOCCO)C[C@]1(C)CC[NH2+]C1 ZINC000262031006 135273605 /nfs/dbraw/zinc/27/36/05/135273605.db2.gz OCLUZHIVPNNRQW-GFCCVEGCSA-N 2 0 230.352 0.317 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH2+]C[C@H]1C ZINC000262023342 135273726 /nfs/dbraw/zinc/27/37/26/135273726.db2.gz MPTLURSZSKUSBW-GRYCIOLGSA-N 2 0 239.363 0.680 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262030014 135274084 /nfs/dbraw/zinc/27/40/84/135274084.db2.gz BMHIVURRARWBLT-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@]1(C[NH+]2CCC(CC(N)=O)CC2)CC[NH2+]C1 ZINC000262051125 135276253 /nfs/dbraw/zinc/27/62/53/135276253.db2.gz QGPNNMHMXBODMW-CYBMUJFWSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000262068635 135276526 /nfs/dbraw/zinc/27/65/26/135276526.db2.gz BRAZJGXCRCPFTF-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH2+]C1 ZINC000262054574 135276559 /nfs/dbraw/zinc/27/65/59/135276559.db2.gz WZDQOYVFWXDRPL-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262061267 135276635 /nfs/dbraw/zinc/27/66/35/135276635.db2.gz IPOCFHFUOIFFDF-ONGXEEELSA-N 2 0 227.352 0.605 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262061265 135276667 /nfs/dbraw/zinc/27/66/67/135276667.db2.gz IPOCFHFUOIFFDF-MWLCHTKSSA-N 2 0 227.352 0.605 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000262056036 135277024 /nfs/dbraw/zinc/27/70/24/135277024.db2.gz XLHQMSFZUNQTJC-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP O=C1C[N@H+](CC2CC[NH2+]CC2)CCN1C1CC1 ZINC000262228335 135286625 /nfs/dbraw/zinc/28/66/25/135286625.db2.gz NMFGARAIMBZPPI-UHFFFAOYSA-N 2 0 237.347 0.293 20 0 BCADRP NC(=O)C[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262269969 135288659 /nfs/dbraw/zinc/28/86/59/135288659.db2.gz SIAIZFXACWTDSI-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCN(C2CCC2)CC1 ZINC000262314132 135292112 /nfs/dbraw/zinc/29/21/12/135292112.db2.gz ZKPRORXHFBQVSF-GFCCVEGCSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000262338323 135294113 /nfs/dbraw/zinc/29/41/13/135294113.db2.gz HOMLMPPIGYMTLL-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262420019 135296125 /nfs/dbraw/zinc/29/61/25/135296125.db2.gz RQSJMCCWSIOTRS-JFGNBEQYSA-N 2 0 225.336 0.230 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342619117 135296265 /nfs/dbraw/zinc/29/62/65/135296265.db2.gz MRIDPNDJVZHUGN-CYBMUJFWSA-N 2 0 241.379 0.834 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000262431449 135297104 /nfs/dbraw/zinc/29/71/04/135297104.db2.gz FFHIUMJBRORVLB-ZYHUDNBSSA-N 2 0 235.331 0.801 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262374377 135298090 /nfs/dbraw/zinc/29/80/90/135298090.db2.gz MPISLLLOAYIXGO-WGBDABJCSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000262384003 135298353 /nfs/dbraw/zinc/29/83/53/135298353.db2.gz NGBPQSCLAKEBHU-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262448758 135299449 /nfs/dbraw/zinc/29/94/49/135299449.db2.gz QSGNCYUWMOQMGQ-QWRGUYRKSA-N 2 0 227.352 0.748 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH2+]C)[C@H](C)C1 ZINC000262451775 135300347 /nfs/dbraw/zinc/30/03/47/135300347.db2.gz WCRNBTVJZKDERB-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH2+]C)[C@H](C)C1 ZINC000262451770 135300359 /nfs/dbraw/zinc/30/03/59/135300359.db2.gz WCRNBTVJZKDERB-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000262451683 135300510 /nfs/dbraw/zinc/30/05/10/135300510.db2.gz WAGGJXMEOHBUOW-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000262484057 135301569 /nfs/dbraw/zinc/30/15/69/135301569.db2.gz ZWKDAFUINGZCAS-VWYCJHECSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000262484051 135301695 /nfs/dbraw/zinc/30/16/95/135301695.db2.gz ZWKDAFUINGZCAS-MXWKQRLJSA-N 2 0 227.352 0.522 20 0 BCADRP CC[NH+](CC)CCSCC(=O)N[C@@H](C)C[NH3+] ZINC000262531448 135304516 /nfs/dbraw/zinc/30/45/16/135304516.db2.gz NRHJQEJBBAVAGP-JTQLQIEISA-N 2 0 247.408 0.525 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262543758 135304614 /nfs/dbraw/zinc/30/46/14/135304614.db2.gz UCMSQNKMLUDLKM-VLEAKVRGSA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000262543388 135304690 /nfs/dbraw/zinc/30/46/90/135304690.db2.gz XRZPETAEKHHXIS-WDEREUQCSA-N 2 0 227.352 0.380 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000262543757 135304806 /nfs/dbraw/zinc/30/48/06/135304806.db2.gz UCMSQNKMLUDLKM-NAKRPEOUSA-N 2 0 225.336 0.371 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]([NH3+])CC(C)C ZINC000262591644 135306930 /nfs/dbraw/zinc/30/69/30/135306930.db2.gz FHSQILOCPJDZMM-JTQLQIEISA-N 2 0 229.368 0.994 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)NCC[NH+](C)C ZINC000342663141 135308370 /nfs/dbraw/zinc/30/83/70/135308370.db2.gz LWTFFCOXZLPKTN-JTQLQIEISA-N 2 0 230.356 0.187 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000262617936 135308888 /nfs/dbraw/zinc/30/88/88/135308888.db2.gz ZVIYMKYKORXHKK-NXEZZACHSA-N 2 0 229.368 0.994 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342752396 135311168 /nfs/dbraw/zinc/31/11/68/135311168.db2.gz ONPGZGZMKDEWIG-QCNOEVLYSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@]1(CNC(=O)C[C@@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000342751025 135311409 /nfs/dbraw/zinc/31/14/09/135311409.db2.gz ZYUBVWSSPJISEU-AAEUAGOBSA-N 2 0 239.363 0.634 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000342753256 135311662 /nfs/dbraw/zinc/31/16/62/135311662.db2.gz PVGYDPKCOVBTQN-GMXVVIOVSA-N 2 0 241.379 0.864 20 0 BCADRP CC[C@H](C(=O)NC[C@@H]1CC[NH2+]C1)[NH+](CC)CC ZINC000342723475 135314461 /nfs/dbraw/zinc/31/44/61/135314461.db2.gz IWZGDRHYKASLPI-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[C@H]1C[NH3+] ZINC000342723087 135314831 /nfs/dbraw/zinc/31/48/31/135314831.db2.gz CEIZLOWGVRZDCJ-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000262716506 135315466 /nfs/dbraw/zinc/31/54/66/135315466.db2.gz DRRFCNXBSHWEMP-DCAQKATOSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000262716505 135315634 /nfs/dbraw/zinc/31/56/34/135315634.db2.gz DRRFCNXBSHWEMP-AXFHLTTASA-N 2 0 227.352 0.748 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CCCC[NH2+]2)CC[NH2+]1 ZINC000262787161 135317980 /nfs/dbraw/zinc/31/79/80/135317980.db2.gz CUBWSNLBXHDGHC-NQBHXWOUSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[NH2+]CC1CC1 ZINC000262779808 135318332 /nfs/dbraw/zinc/31/83/32/135318332.db2.gz LGUZXGMRDYXBRR-VHSXEESVSA-N 2 0 225.336 0.195 20 0 BCADRP [NH3+]CCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000262933615 135323928 /nfs/dbraw/zinc/32/39/28/135323928.db2.gz IBOLKIIZEDDWPO-UHFFFAOYSA-N 2 0 241.379 0.522 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000263094684 135332404 /nfs/dbraw/zinc/33/24/04/135332404.db2.gz YVFPDXNLNZQEHC-CMPLNLGQSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000263098465 135332609 /nfs/dbraw/zinc/33/26/09/135332609.db2.gz ZCZBUHDNPPXZER-WZRBSPASSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000263098463 135332869 /nfs/dbraw/zinc/33/28/69/135332869.db2.gz ZCZBUHDNPPXZER-LOWVWBTDSA-N 2 0 239.363 0.762 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263221669 135340431 /nfs/dbraw/zinc/34/04/31/135340431.db2.gz LYQGPCPBIBJDIO-DGCLKSJQSA-N 2 0 241.379 0.962 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263221668 135340435 /nfs/dbraw/zinc/34/04/35/135340435.db2.gz LYQGPCPBIBJDIO-AAEUAGOBSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC[NH2+]1 ZINC000263304214 135345376 /nfs/dbraw/zinc/34/53/76/135345376.db2.gz XNVNXIKOQHVCNL-WZRBSPASSA-N 2 0 239.363 0.714 20 0 BCADRP COCC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000081713812 135388325 /nfs/dbraw/zinc/38/83/25/135388325.db2.gz UVZZSXSJSPCDJM-VXGBXAGGSA-N 2 0 230.352 0.458 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000089741563 135540227 /nfs/dbraw/zinc/54/02/27/135540227.db2.gz XVWGKVRTZPKVRE-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)C[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000090767155 135553508 /nfs/dbraw/zinc/55/35/08/135553508.db2.gz XSPQVVHVPCZFCK-GFCCVEGCSA-N 2 0 213.369 0.916 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091395780 135561512 /nfs/dbraw/zinc/56/15/12/135561512.db2.gz MUWUZCZCQIMYQK-RYUDHWBXSA-N 2 0 241.379 0.770 20 0 BCADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC1C[NH2+]C1 ZINC000334598012 135764139 /nfs/dbraw/zinc/76/41/39/135764139.db2.gz RKVWIOPPGHBNOH-VXGBXAGGSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC000344686341 135788575 /nfs/dbraw/zinc/78/85/75/135788575.db2.gz BXJWNZRJQKMKKF-JTQLQIEISA-N 2 0 227.352 0.395 20 0 BCADRP [NH3+]CCN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000335011255 135865164 /nfs/dbraw/zinc/86/51/64/135865164.db2.gz WJOCOKXAEHORIX-NWDGAFQWSA-N 2 0 223.295 0.511 20 0 BCADRP [NH3+]CC1(CC(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000335029376 135868645 /nfs/dbraw/zinc/86/86/45/135868645.db2.gz KWLSTQVTIFTLTP-SECBINFHSA-N 2 0 211.309 0.065 20 0 BCADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CC[NH3+] ZINC000166061441 135938920 /nfs/dbraw/zinc/93/89/20/135938920.db2.gz CMAYYLCLMHMSAT-IJLUTSLNSA-N 2 0 241.379 0.818 20 0 BCADRP O=C(C1CC[NH2+]CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000335228385 135962754 /nfs/dbraw/zinc/96/27/54/135962754.db2.gz IFTBZUFHLIBSIZ-GFCCVEGCSA-N 2 0 237.347 0.339 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000335285056 136002278 /nfs/dbraw/zinc/00/22/78/136002278.db2.gz IOVCTQMLLVIIPY-QWRGUYRKSA-N 2 0 240.351 0.213 20 0 BCADRP C[C@H]([NH3+])CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335297395 136006671 /nfs/dbraw/zinc/00/66/71/136006671.db2.gz AEVVHKAOOVIEHB-ONGXEEELSA-N 2 0 205.305 0.724 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000348074175 136034043 /nfs/dbraw/zinc/03/40/43/136034043.db2.gz LPSADBQEBVJGLG-UHFFFAOYSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335332400 136054150 /nfs/dbraw/zinc/05/41/50/136054150.db2.gz MMXHPKAZPJJOBX-CMPLNLGQSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]1CN(C(=O)NCC(C)(C)[NH3+])[C@@H](C)C[NH2+]1 ZINC000335361719 136081167 /nfs/dbraw/zinc/08/11/67/136081167.db2.gz WFRKPLFWBSPZHZ-BDAKNGLRSA-N 2 0 228.340 0.116 20 0 BCADRP [NH3+]CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000335375221 136085417 /nfs/dbraw/zinc/08/54/17/136085417.db2.gz MMCYFLBMAGOKIO-ZYHUDNBSSA-N 2 0 237.347 0.420 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000335389126 136090212 /nfs/dbraw/zinc/09/02/12/136090212.db2.gz JKFPRTNMMRCHQN-GHMZBOCLSA-N 2 0 225.336 0.420 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000335395469 136092094 /nfs/dbraw/zinc/09/20/94/136092094.db2.gz OQTLCDIQVIAAMT-GWCFXTLKSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000335395472 136092245 /nfs/dbraw/zinc/09/22/45/136092245.db2.gz OQTLCDIQVIAAMT-ZWNOBZJWSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000335399197 136093684 /nfs/dbraw/zinc/09/36/84/136093684.db2.gz MVILJSDUSZDTMH-YPMHNXCESA-N 2 0 245.326 0.352 20 0 BCADRP C[C@H]1CCN(C(=O)C(C)(C)C[NH3+])C[C@H]1C[NH3+] ZINC000335596987 136104879 /nfs/dbraw/zinc/10/48/79/136104879.db2.gz FVDIHADDXCPRAF-VHSXEESVSA-N 2 0 227.352 0.415 20 0 BCADRP CN1CCC[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1=O ZINC000335566416 136107854 /nfs/dbraw/zinc/10/78/54/136107854.db2.gz UDQAPPZVDYQOPL-MCIGGMRASA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H](C)[NH2+]C ZINC000054071498 322855369 /nfs/dbraw/zinc/85/53/69/322855369.db2.gz DHKHWIAIGFFSLZ-VIFPVBQESA-N 2 0 201.314 0.052 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000422538275 397735984 /nfs/dbraw/zinc/73/59/84/397735984.db2.gz IEILVIOVLBFASC-WRWGMCAJSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)(C[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000381541553 397741432 /nfs/dbraw/zinc/74/14/32/397741432.db2.gz IWVOBXDQFWOMHH-VIFPVBQESA-N 2 0 213.325 0.372 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000257729155 397828235 /nfs/dbraw/zinc/82/82/35/397828235.db2.gz UVOKNFSUSABJTK-WDEREUQCSA-N 2 0 225.336 0.278 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000390287746 397884855 /nfs/dbraw/zinc/88/48/55/397884855.db2.gz XLYQDQVELWXTPO-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@]1(C(=O)NCC(C)(C)[NH3+])CC[NH2+]C1 ZINC000119229949 397883006 /nfs/dbraw/zinc/88/30/06/397883006.db2.gz DPRVAYMPMIQCHB-NSHDSACASA-N 2 0 213.325 0.230 20 0 BCADRP CO[C@H](C)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000182171646 397824761 /nfs/dbraw/zinc/82/47/61/397824761.db2.gz FXUPILFFBFSEIT-GHMZBOCLSA-N 2 0 200.326 0.905 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000647891438 397934920 /nfs/dbraw/zinc/93/49/20/397934920.db2.gz BQECYHAOVRSZFM-AGIUHOORSA-N 2 0 240.347 0.476 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC(C)(C)CCC[NH3+] ZINC000382391669 397945625 /nfs/dbraw/zinc/94/56/25/397945625.db2.gz MKWSLAMSOWGQDL-MRVPVSSYSA-N 2 0 201.314 0.357 20 0 BCADRP O=C([C@H]1C[C@H](F)C[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000446359008 397947642 /nfs/dbraw/zinc/94/76/42/397947642.db2.gz DGZGJRNXUBAPNK-UKKRHICBSA-N 2 0 241.310 0.039 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC[NH+](CC)CC ZINC000449080435 397951505 /nfs/dbraw/zinc/95/15/05/397951505.db2.gz WEFGCFNBFBJBDD-LLVKDONJSA-N 2 0 229.368 0.833 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000054133118 397903408 /nfs/dbraw/zinc/90/34/08/397903408.db2.gz IGUKUUJIKMXMCJ-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP CC[N@H+](CCC[NH2+]C)C[C@@H]1CCOC1 ZINC000389910198 397997781 /nfs/dbraw/zinc/99/77/81/397997781.db2.gz ITQVCVBRRLLSKH-NSHDSACASA-N 2 0 200.326 0.954 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953163 398009642 /nfs/dbraw/zinc/00/96/42/398009642.db2.gz FVGXRAPNDJIGBH-PWSUYJOCSA-N 2 0 239.363 0.714 20 0 BCADRP Cn1ccnc1[C@H]1CCC[N@H+](CCCO)C1 ZINC000373116480 398013745 /nfs/dbraw/zinc/01/37/45/398013745.db2.gz WLTQUWLJZJOMGF-NSHDSACASA-N 2 0 223.320 0.982 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000648122265 398014546 /nfs/dbraw/zinc/01/45/46/398014546.db2.gz PYAJEWQDNCJSQX-AXTSPUMRSA-N 2 0 211.309 0.110 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000054074936 398023255 /nfs/dbraw/zinc/02/32/55/398023255.db2.gz JPRZORKYRBWGJB-NSHDSACASA-N 2 0 241.379 0.926 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)[NH+](C)C ZINC000637863292 398032235 /nfs/dbraw/zinc/03/22/35/398032235.db2.gz XFKKPXXDLKPFNX-NXEZZACHSA-N 2 0 213.325 0.147 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000637863276 398032296 /nfs/dbraw/zinc/03/22/96/398032296.db2.gz WTVXNZNRGMCOAE-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H](C)[NH+](C)C ZINC000637865120 398032576 /nfs/dbraw/zinc/03/25/76/398032576.db2.gz UUBAOWQWFJKSMR-MNOVXSKESA-N 2 0 229.368 0.768 20 0 BCADRP COC(=O)C(C)(C)CC[NH2+]C1CC[NH2+]CC1 ZINC000414774401 398033388 /nfs/dbraw/zinc/03/33/88/398033388.db2.gz BCDYZOOAFFKUMK-UHFFFAOYSA-N 2 0 228.336 0.917 20 0 BCADRP CC[NH2+]CCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000418320969 398034941 /nfs/dbraw/zinc/03/49/41/398034941.db2.gz XDVOOUHIPHWAGG-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418321025 398035970 /nfs/dbraw/zinc/03/59/70/398035970.db2.gz XMHKCRMHKJHNMR-WDEREUQCSA-N 2 0 242.367 0.413 20 0 BCADRP C[NH2+]CCNC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000418323805 398036741 /nfs/dbraw/zinc/03/67/41/398036741.db2.gz GZQGSKOEJYBJME-UHFFFAOYSA-N 2 0 242.367 0.189 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000564726821 398039243 /nfs/dbraw/zinc/03/92/43/398039243.db2.gz MEENZVGEOJNJCX-USZNOCQGSA-N 2 0 239.363 0.618 20 0 BCADRP COC[C@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313341741 398043412 /nfs/dbraw/zinc/04/34/12/398043412.db2.gz FXPPIFGYPVPKKG-VHSXEESVSA-N 2 0 202.298 0.071 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCc2cn[nH]c2)C1 ZINC000389708045 397987496 /nfs/dbraw/zinc/98/74/96/397987496.db2.gz LJYQNXWRVDUPJP-GXSJLCMTSA-N 2 0 208.309 0.621 20 0 BCADRP C1[C@@H](c2nc([C@@H]3CCC[NH2+]3)no2)[C@]12CC[NH2+]C2 ZINC000647148333 398093118 /nfs/dbraw/zinc/09/31/18/398093118.db2.gz LXAGLDFGQIESTQ-HOTUBEGUSA-N 2 0 234.303 0.961 20 0 BCADRP CC[N@H+](CCNC(=O)/C=C\C[NH+](C)C)C(C)C ZINC000491853677 398075382 /nfs/dbraw/zinc/07/53/82/398075382.db2.gz VVZUAUCIUAQZTK-FPLPWBNLSA-N 2 0 241.379 0.951 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000638189580 398078866 /nfs/dbraw/zinc/07/88/66/398078866.db2.gz DFBBTKBBIQOVSC-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NC[C@H]2CCC[NH2+]2)o1 ZINC000646683328 398082740 /nfs/dbraw/zinc/08/27/40/398082740.db2.gz GVIFGLAJLNACFM-MRVPVSSYSA-N 2 0 223.276 0.220 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000646707324 398085527 /nfs/dbraw/zinc/08/55/27/398085527.db2.gz QKPICYRWDAEWLV-GHMZBOCLSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC1CC[NH+](C)CC1 ZINC000086065554 398052528 /nfs/dbraw/zinc/05/25/28/398052528.db2.gz GSMHFPZALCJIQB-SECBINFHSA-N 2 0 213.325 0.052 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000566199667 398098974 /nfs/dbraw/zinc/09/89/74/398098974.db2.gz CHCVUIABXVXWKS-QMMMGPOBSA-N 2 0 237.294 0.473 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CNCC[C@@H]2C)CC[NH2+]1 ZINC000414923816 398099868 /nfs/dbraw/zinc/09/98/68/398099868.db2.gz IBYRHEADMFEGAQ-LOWDOPEQSA-N 2 0 225.380 0.962 20 0 BCADRP [NH3+]CCCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000107213594 322862189 /nfs/dbraw/zinc/86/21/89/322862189.db2.gz KKDAUXVVABFMCL-LBPRGKRZSA-N 2 0 211.353 0.895 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000522061356 398107450 /nfs/dbraw/zinc/10/74/50/398107450.db2.gz UGMUFZBQRMXIPC-DGCLKSJQSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000390771421 398098184 /nfs/dbraw/zinc/09/81/84/398098184.db2.gz WINNLCPGBVQJHJ-VXGBXAGGSA-N 2 0 211.353 0.527 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000237624579 398112663 /nfs/dbraw/zinc/11/26/63/398112663.db2.gz KIQRDEZBMXYQDG-NXEZZACHSA-N 2 0 225.336 0.182 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000627157991 398114753 /nfs/dbraw/zinc/11/47/53/398114753.db2.gz GRHYFQOIBAOICH-VHSXEESVSA-N 2 0 242.367 0.506 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000571918440 398128012 /nfs/dbraw/zinc/12/80/12/398128012.db2.gz OATPATBMFAFTPP-NSHDSACASA-N 2 0 227.352 0.573 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000377589565 173347808 /nfs/dbraw/zinc/34/78/08/173347808.db2.gz SICBQBRIUSJOPP-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH3+])CC1 ZINC000257747090 322873567 /nfs/dbraw/zinc/87/35/67/322873567.db2.gz XTHQLHNXADJQIW-NSHDSACASA-N 2 0 225.336 0.278 20 0 BCADRP CC(C)[NH2+]CC(=O)NCCC[NH+]1CCCCC1 ZINC000037609804 487560185 /nfs/dbraw/zinc/56/01/85/487560185.db2.gz RSAONOAWQHBQLP-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000162439086 487569279 /nfs/dbraw/zinc/56/92/79/487569279.db2.gz HDWTZOFBNGIGHE-OUAUKWLOSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000162439473 487569295 /nfs/dbraw/zinc/56/92/95/487569295.db2.gz HDWTZOFBNGIGHE-MXWKQRLJSA-N 2 0 225.336 0.372 20 0 BCADRP CCCC[N@H+](CCO)C[C@@H]1CC[NH2+]C1 ZINC000238208651 487570061 /nfs/dbraw/zinc/57/00/61/487570061.db2.gz ISZAZYDTLREEDA-LLVKDONJSA-N 2 0 200.326 0.690 20 0 BCADRP C[C@@H]1CN(C(=O)CC(C)(C)[NH3+])[C@H](C)C[NH2+]1 ZINC000393768869 487579935 /nfs/dbraw/zinc/57/99/35/487579935.db2.gz DJEIIWQQMMDNBJ-RKDXNWHRSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000082241803 487580300 /nfs/dbraw/zinc/58/03/00/487580300.db2.gz GQMGFBSQPFHNER-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[NH2+]CC2)C1 ZINC000082241657 487580464 /nfs/dbraw/zinc/58/04/64/487580464.db2.gz UMWGNOMXJPGYNW-NSHDSACASA-N 2 0 225.336 0.150 20 0 BCADRP C[C@@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[NH+](C)C ZINC000158309790 487582461 /nfs/dbraw/zinc/58/24/61/487582461.db2.gz LPDDAWAWYBDYKY-JQWIXIFHSA-N 2 0 225.336 0.149 20 0 BCADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H](C)[NH3+] ZINC000669389277 487584839 /nfs/dbraw/zinc/58/48/39/487584839.db2.gz QPHNMOPHSSNRPO-MNOVXSKESA-N 2 0 244.383 0.609 20 0 BCADRP CC(C)[C@H](C(=O)N(C)CCC[NH3+])[NH+](C)C ZINC000158753899 487585429 /nfs/dbraw/zinc/58/54/29/487585429.db2.gz NDZZJLUYSNFRJF-SNVBAGLBSA-N 2 0 215.341 0.380 20 0 BCADRP OCC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000238659036 487590091 /nfs/dbraw/zinc/59/00/91/487590091.db2.gz HDKJLGAUJWLBNT-NEPJUHHUSA-N 2 0 212.337 0.833 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000662414308 487603384 /nfs/dbraw/zinc/60/33/84/487603384.db2.gz QBVXVMICLANTPQ-ZJUUUORDSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662263400 409555333 /nfs/dbraw/zinc/55/53/33/409555333.db2.gz ARNAOUXCCJMYKQ-IJLUTSLNSA-N 3 0 239.363 0.177 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662266321 409564046 /nfs/dbraw/zinc/56/40/46/409564046.db2.gz LZKVBSZIELGXRV-QJPTWQEYSA-N 3 0 239.363 0.177 20 0 BCADRP Cc1cc(CN2CC[C@H]([NH3+])[C@@H](C)C2)ncn1 ZINC000662243199 409534279 /nfs/dbraw/zinc/53/42/79/409534279.db2.gz GQYLULQXQOTHBN-CABZTGNLSA-N 2 0 220.320 0.954 20 0 BCADRP C[C@@](C[NH3+])([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662248024 409543554 /nfs/dbraw/zinc/54/35/54/409543554.db2.gz RARBYVWQOLUBFU-RYUDHWBXSA-N 3 0 239.363 0.224 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000662318217 409636570 /nfs/dbraw/zinc/63/65/70/409636570.db2.gz XVCQSPAMKIOFDK-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)OC ZINC000662273210 409581313 /nfs/dbraw/zinc/58/13/13/409581313.db2.gz KGMFJKAGJMZWNQ-SRVKXCTJSA-N 2 0 228.336 0.332 20 0 BCADRP CC(C)(C)[C@H](CN)[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662277205 409588872 /nfs/dbraw/zinc/58/88/72/409588872.db2.gz NGYXNFMNCRDPIB-QWRGUYRKSA-N 2 0 241.379 0.470 20 0 BCADRP C[C@@H]1OCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@H]1C ZINC000662276406 409589040 /nfs/dbraw/zinc/58/90/40/409589040.db2.gz IKPNATXARAVSBI-SDDRHHMPSA-N 2 0 240.347 0.617 20 0 BCADRP [NH3+][C@H]1Cc2ccccc2N(C[C@H]2C[NH2+]CCO2)C1 ZINC000662280533 409600479 /nfs/dbraw/zinc/60/04/79/409600479.db2.gz DUYLACCPTZNSAJ-QWHCGFSZSA-N 2 0 247.342 0.365 20 0 BCADRP C[C@@H]1CC[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1C[NH3+] ZINC000662280892 409601197 /nfs/dbraw/zinc/60/11/97/409601197.db2.gz GWGCIFPWLORMLS-IJLUTSLNSA-N 2 0 239.363 0.524 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662427475 409712368 /nfs/dbraw/zinc/71/23/68/409712368.db2.gz HKOFBBXVQOCKJS-GMTAPVOTSA-N 2 0 227.352 0.556 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000662404212 409699205 /nfs/dbraw/zinc/69/92/05/409699205.db2.gz MDWQRLXIZQVHHJ-NXEZZACHSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)([NH3+])CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662424099 409709523 /nfs/dbraw/zinc/70/95/23/409709523.db2.gz NZYAUHXBDVYKSO-UHFFFAOYSA-N 2 0 233.315 0.757 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000662383485 409686930 /nfs/dbraw/zinc/68/69/30/409686930.db2.gz LKSWXTCAWMZALI-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP CC1CC[NH+](CC(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662607165 409781382 /nfs/dbraw/zinc/78/13/82/409781382.db2.gz GBRYOZRSZQEPAJ-UHFFFAOYSA-N 2 0 241.379 0.914 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C[C@@H]1CC[NH2+]C1 ZINC000662605412 409781836 /nfs/dbraw/zinc/78/18/36/409781836.db2.gz NVOUIPKMKBZDOD-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000662513936 409741474 /nfs/dbraw/zinc/74/14/74/409741474.db2.gz HKGRBBWGYGIMEH-SDDRHHMPSA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000662513937 409741629 /nfs/dbraw/zinc/74/16/29/409741629.db2.gz HKGRBBWGYGIMEH-SRVKXCTJSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662558473 409757148 /nfs/dbraw/zinc/75/71/48/409757148.db2.gz FZDJQBIMSUPGLP-SKDRFNHKSA-N 2 0 233.315 0.684 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000662566481 409761199 /nfs/dbraw/zinc/76/11/99/409761199.db2.gz VEIQJHUKUJNUTQ-VHSXEESVSA-N 2 0 225.336 0.243 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C1(C[NH3+])CCCC1 ZINC000662605688 409780443 /nfs/dbraw/zinc/78/04/43/409780443.db2.gz QIZDTIZMESRERN-UHFFFAOYSA-N 2 0 227.352 0.701 20 0 BCADRP CC[NH+](CC)CCCNc1nc(N)[nH+]c(N)n1 ZINC000100719067 409780988 /nfs/dbraw/zinc/78/09/88/409780988.db2.gz VDFCRTSUOFEUKD-UHFFFAOYSA-N 2 0 239.327 0.180 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653113076 409823721 /nfs/dbraw/zinc/82/37/21/409823721.db2.gz SDYKTOARVPSJIX-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653126660 409836168 /nfs/dbraw/zinc/83/61/68/409836168.db2.gz BITNVVSKFWVLGN-VXGBXAGGSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653125747 409836682 /nfs/dbraw/zinc/83/66/82/409836682.db2.gz XWLSOJUGMXABQT-VHSXEESVSA-N 2 0 213.325 0.087 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000653125501 409837366 /nfs/dbraw/zinc/83/73/66/409837366.db2.gz ATTIWVJXZCLQJC-DCAQKATOSA-N 2 0 223.320 0.077 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000653127526 409838977 /nfs/dbraw/zinc/83/89/77/409838977.db2.gz HHPNARPUJADYMU-GHMZBOCLSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000653128615 409841188 /nfs/dbraw/zinc/84/11/88/409841188.db2.gz OSYLWGYANWLEFH-FIQHERPVSA-N 2 0 239.363 0.700 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662623445 409794146 /nfs/dbraw/zinc/79/41/46/409794146.db2.gz XWPWGSRFFRJJLX-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP CCN1CCN(C(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653104816 409797926 /nfs/dbraw/zinc/79/79/26/409797926.db2.gz WEDWRHGYAXPBAZ-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP O=C([C@@H]1CCC[NH2+]CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000653136773 409855870 /nfs/dbraw/zinc/85/58/70/409855870.db2.gz FETZZIUNZUMELM-UTUOFQBUSA-N 2 0 237.347 0.054 20 0 BCADRP C[C@H](CCNC(=O)[C@H]([NH3+])C1CCC1)[NH+](C)C ZINC000662632589 409803876 /nfs/dbraw/zinc/80/38/76/409803876.db2.gz FMZDAKIKQMDKLJ-MWLCHTKSSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](CCNC(=O)C[NH2+]C1CC1)[NH+](C)C ZINC000662636465 409807129 /nfs/dbraw/zinc/80/71/29/409807129.db2.gz YSCWTKJPKJZYFB-VIFPVBQESA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H](CCNC(=O)[C@@H]1[NH2+]CC1(C)C)[NH+](C)C ZINC000662636502 409807468 /nfs/dbraw/zinc/80/74/68/409807468.db2.gz YVTXKVMOHIVNMR-UWVGGRQHSA-N 2 0 227.352 0.441 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662781218 409905459 /nfs/dbraw/zinc/90/54/59/409905459.db2.gz CGYNBYFRDPKFPV-SSDOTTSWSA-N 2 0 240.307 0.336 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@@H](C)[NH3+] ZINC000308814468 409908434 /nfs/dbraw/zinc/90/84/34/409908434.db2.gz DQBXKJINWFNGDJ-SCZZXKLOSA-N 2 0 201.314 0.213 20 0 BCADRP CC(C)([NH3+])CCC(=O)NC(C)(C)C[NH3+] ZINC000308822608 409908835 /nfs/dbraw/zinc/90/88/35/409908835.db2.gz GZFTYPOYRHXSTQ-UHFFFAOYSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653144534 409866381 /nfs/dbraw/zinc/86/63/81/409866381.db2.gz YNBYGXXWCTUDPS-YUSALJHKSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653144522 409867897 /nfs/dbraw/zinc/86/78/97/409867897.db2.gz XLSLYADHEAUCSQ-OUAUKWLOSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653144777 409868812 /nfs/dbraw/zinc/86/88/12/409868812.db2.gz CNQVLIOSTJZUIU-DOLQZWNJSA-N 2 0 213.325 0.356 20 0 BCADRP CC(C)[C@@H](C(=O)NCC12CC(C1)C[NH2+]2)[NH+](C)C ZINC000662719243 409870073 /nfs/dbraw/zinc/87/00/73/409870073.db2.gz YCMZOGLTSVABLK-AKJDGMEZSA-N 2 0 239.363 0.441 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000653146975 409873034 /nfs/dbraw/zinc/87/30/34/409873034.db2.gz IUABEFJZGGEMTK-NOOOWODRSA-N 2 0 239.363 0.748 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000662731091 409874055 /nfs/dbraw/zinc/87/40/55/409874055.db2.gz XZBQFAVGXOILAD-HTQZYQBOSA-N 2 0 237.294 0.459 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662730786 409874651 /nfs/dbraw/zinc/87/46/51/409874651.db2.gz PLJZGOVPMJNANY-TUAOUCFPSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000308588243 409886317 /nfs/dbraw/zinc/88/63/17/409886317.db2.gz JHFAJDWTFHBEPE-GARJFASQSA-N 2 0 200.326 0.830 20 0 BCADRP C[C@H]1C[C@H](NC(=O)CC2([NH3+])CC2)CC[NH2+]1 ZINC000662773676 409893753 /nfs/dbraw/zinc/89/37/53/409893753.db2.gz JFBBLLRMFHCMBC-DTWKUNHWSA-N 2 0 211.309 0.125 20 0 BCADRP CC[C@H]1CN(C(=O)CC2([NH3+])CC2)CC[C@@H]1[NH3+] ZINC000662775924 409895356 /nfs/dbraw/zinc/89/53/56/409895356.db2.gz TVTOBYNLNPTBDV-UWVGGRQHSA-N 2 0 225.336 0.454 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662775549 409896074 /nfs/dbraw/zinc/89/60/74/409896074.db2.gz WZRWTMYGUSNVJZ-OUAUKWLOSA-N 2 0 237.347 0.052 20 0 BCADRP C[C@H]([NH3+])CNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662775473 409896162 /nfs/dbraw/zinc/89/61/62/409896162.db2.gz WGOYYCLRHWRIHP-QMMMGPOBSA-N 2 0 211.309 0.111 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H]2CCC[NH2+]CC2)CCCC1 ZINC000662863334 409957197 /nfs/dbraw/zinc/95/71/97/409957197.db2.gz OKVQDPAUHDUVLV-LLVKDONJSA-N 2 0 239.363 0.764 20 0 BCADRP CC(C)[N@@H+](C)C[C@@H](O)CN(C[C@@H](C)O)C1CC1 ZINC000660925706 409975023 /nfs/dbraw/zinc/97/50/23/409975023.db2.gz FHVCEAUNOLJWIB-DGCLKSJQSA-N 2 0 244.379 0.533 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063124239 409986871 /nfs/dbraw/zinc/98/68/71/409986871.db2.gz YFUJCYSYWXWLRV-SNVBAGLBSA-N 2 0 227.352 0.524 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000662952067 409986878 /nfs/dbraw/zinc/98/68/78/409986878.db2.gz CDFBATUNDVLNDJ-VIFPVBQESA-N 2 0 221.304 0.483 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000662954181 409987953 /nfs/dbraw/zinc/98/79/53/409987953.db2.gz SRZUDLLAYRAELU-CMPLNLGQSA-N 2 0 235.331 0.281 20 0 BCADRP COCCC[N@H+](CCOC)C[C@@H]1CC[NH2+]C1 ZINC000051889749 409938224 /nfs/dbraw/zinc/93/82/24/409938224.db2.gz FMSKDOGKSDVPFF-GFCCVEGCSA-N 2 0 230.352 0.581 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000662839413 409948003 /nfs/dbraw/zinc/94/80/03/409948003.db2.gz QNXLPZNDGAFTQC-WDEREUQCSA-N 2 0 237.347 0.611 20 0 BCADRP C[C@@]1(NC(=O)CC[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000663011282 410030101 /nfs/dbraw/zinc/03/01/01/410030101.db2.gz OHOAVSIAJHNIHH-ZYHUDNBSSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662968869 409998593 /nfs/dbraw/zinc/99/85/93/409998593.db2.gz KUMRKSPFPPRDJV-GWCFXTLKSA-N 2 0 247.342 0.945 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000309013591 487612931 /nfs/dbraw/zinc/61/29/31/487612931.db2.gz QBTHYYJPHZBXBS-KXUCPTDWSA-N 2 0 213.325 0.193 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653163986 410113238 /nfs/dbraw/zinc/11/32/38/410113238.db2.gz CXUCHLIYOBSWIZ-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653166567 410132423 /nfs/dbraw/zinc/13/24/23/410132423.db2.gz NIJRIFRRAFPTHG-CHWFTXMASA-N 2 0 227.352 0.746 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653165766 410132454 /nfs/dbraw/zinc/13/24/54/410132454.db2.gz BKWWJXDIVNJCKO-QJPTWQEYSA-N 2 0 239.363 0.762 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655412191 410215038 /nfs/dbraw/zinc/21/50/38/410215038.db2.gz NQHDWLPMCDZLTC-WZRBSPASSA-N 2 0 237.347 0.244 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655413150 410215051 /nfs/dbraw/zinc/21/50/51/410215051.db2.gz MMYPPVYSQDONAR-DGCLKSJQSA-N 2 0 239.363 0.492 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653198000 410160379 /nfs/dbraw/zinc/16/03/79/410160379.db2.gz DFKIHLQWNUXZBR-NHCYSSNCSA-N 2 0 225.336 0.311 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653193905 410160595 /nfs/dbraw/zinc/16/05/95/410160595.db2.gz MFHYEPNUWUAXFD-JQWIXIFHSA-N 2 0 225.336 0.183 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C1([NH3+])CC1)C2 ZINC000653198308 410160786 /nfs/dbraw/zinc/16/07/86/410160786.db2.gz RLFAVUIMIMSAQZ-ONGXEEELSA-N 2 0 223.320 0.065 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH2+]C ZINC000653214193 410165144 /nfs/dbraw/zinc/16/51/44/410165144.db2.gz KUNIIYBHNJXLIX-GFCCVEGCSA-N 2 0 235.331 0.760 20 0 BCADRP C[C@@H](C(=O)NCCC1(C[NH3+])CC1)[C@H](C)[NH3+] ZINC000653221173 410168793 /nfs/dbraw/zinc/16/87/93/410168793.db2.gz LBGGMZVGFOITFA-BDAKNGLRSA-N 2 0 213.325 0.215 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653221277 410169421 /nfs/dbraw/zinc/16/94/21/410169421.db2.gz PPOYBAQEHONOHK-UWVGGRQHSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NCCC2(C[NH3+])CC2)CC[NH2+]1 ZINC000653221463 410171265 /nfs/dbraw/zinc/17/12/65/410171265.db2.gz XWVQQNWUYLSYER-QWRGUYRKSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]CC1(CCNC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000653221318 410171319 /nfs/dbraw/zinc/17/13/19/410171319.db2.gz RBYGIERJWGTHTC-NSHDSACASA-N 2 0 239.363 0.621 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653225897 410173033 /nfs/dbraw/zinc/17/30/33/410173033.db2.gz JQDYLMQLZBIYRR-SSDOTTSWSA-N 2 0 225.267 0.248 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000653240397 410181254 /nfs/dbraw/zinc/18/12/54/410181254.db2.gz NLHVMDAOGKDYFP-FIQHERPVSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000653240398 410181647 /nfs/dbraw/zinc/18/16/47/410181647.db2.gz NLHVMDAOGKDYFP-NOOOWODRSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(CC[NH3+])CC1 ZINC000653256625 410236854 /nfs/dbraw/zinc/23/68/54/410236854.db2.gz NYTBYDFZMYDJJU-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(CC[NH3+])CC1 ZINC000653256624 410237488 /nfs/dbraw/zinc/23/74/88/410237488.db2.gz NYTBYDFZMYDJJU-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP CC[NH2+]CCNC(=O)CCC(C)(C)[NH3+] ZINC000309119908 410254295 /nfs/dbraw/zinc/25/42/95/410254295.db2.gz NDYJRQPRHQMBHO-UHFFFAOYSA-N 2 0 201.314 0.230 20 0 BCADRP C(N1CC[C@]2(CC[NH2+]C2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663495551 410274675 /nfs/dbraw/zinc/27/46/75/410274675.db2.gz YUGZNABHPMWYEJ-RWMBFGLXSA-N 2 0 221.348 0.281 20 0 BCADRP C(N[C@H]1CC[NH2+]C12CCCC2)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663495998 410274763 /nfs/dbraw/zinc/27/47/63/410274763.db2.gz BWCWLLCXTWLBFG-AGIUHOORSA-N 2 0 235.375 0.860 20 0 BCADRP C[C@@]1(CNCC23CC(C2)C[NH2+]3)CC[NH2+]C1 ZINC000663501304 410277710 /nfs/dbraw/zinc/27/77/10/410277710.db2.gz UZDVWIDVDXBDDH-MOENNCHZSA-N 2 0 209.337 0.328 20 0 BCADRP C[C@H]1CCCN(C(=O)CC[NH2+]C2CC2)[C@@H]1C[NH3+] ZINC000655417535 410224707 /nfs/dbraw/zinc/22/47/07/410224707.db2.gz JUWLCWGBYVXZAC-CMPLNLGQSA-N 2 0 239.363 0.714 20 0 BCADRP COC[C@@H](C)C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713744 410345139 /nfs/dbraw/zinc/34/51/39/410345139.db2.gz AAZPZBRIHPRLDQ-JTQLQIEISA-N 2 0 200.326 0.988 20 0 BCADRP C[C@H](Cn1cccn1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714008 410345148 /nfs/dbraw/zinc/34/51/48/410345148.db2.gz MSZBAFSJJPRFSA-LLVKDONJSA-N 2 0 222.336 0.990 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650742911 410377561 /nfs/dbraw/zinc/37/75/61/410377561.db2.gz HVHGGWZCTSUZIM-ZNSHCXBVSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650745295 410380811 /nfs/dbraw/zinc/38/08/11/410380811.db2.gz DAJBEQIIALVSEO-GHMZBOCLSA-N 2 0 211.353 0.655 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000650743182 410381312 /nfs/dbraw/zinc/38/13/12/410381312.db2.gz NVSWEPLSVASOCC-PREPNJAASA-N 2 0 237.347 0.228 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650748504 410389945 /nfs/dbraw/zinc/38/99/45/410389945.db2.gz VLNYSNSIZBHPCM-MNOVXSKESA-N 2 0 211.353 0.703 20 0 BCADRP C[C@H]1CCNC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761728 410409560 /nfs/dbraw/zinc/40/95/60/410409560.db2.gz IQGAYQZLOFWUIV-WCQYABFASA-N 2 0 225.380 0.964 20 0 BCADRP C[C@@H](CS(C)(=O)=O)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762836 410412503 /nfs/dbraw/zinc/41/25/03/410412503.db2.gz LLEMJCKKEKDGRJ-JTQLQIEISA-N 2 0 248.392 0.399 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763543 410414527 /nfs/dbraw/zinc/41/45/27/410414527.db2.gz DBUNSFKVDUQGFE-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000309222517 410459245 /nfs/dbraw/zinc/45/92/45/410459245.db2.gz YOVULUROVXCTKM-YUMQZZPRSA-N 2 0 235.278 0.179 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC[NH2+]1 ZINC000655456456 410507498 /nfs/dbraw/zinc/50/74/98/410507498.db2.gz CESPTWXAKBYCSG-GVXVVHGQSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655460748 410574743 /nfs/dbraw/zinc/57/47/43/410574743.db2.gz ALCDBWCUXFDLDD-JQWIXIFHSA-N 2 0 225.336 0.054 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000070087282 410589965 /nfs/dbraw/zinc/58/99/65/410589965.db2.gz NRWOKLFLOPXGIK-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP O=C(C[NH2+]C1CC1)NCCC1CC[NH2+]CC1 ZINC000653272608 410540293 /nfs/dbraw/zinc/54/02/93/410540293.db2.gz VXWWFFKVYBAHRN-UHFFFAOYSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000653274636 410554930 /nfs/dbraw/zinc/55/49/30/410554930.db2.gz LEYJVRGTTUISLI-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP CN(CC[NH+]1CCCCC1)C(=O)CC[NH3+] ZINC000653274676 410555220 /nfs/dbraw/zinc/55/52/20/410555220.db2.gz MJGUSWMGFNGYND-UHFFFAOYSA-N 2 0 213.325 0.280 20 0 BCADRP CN(C(=O)[C@H]1C[C@]12CCC[NH2+]C2)C1CC([NH3+])C1 ZINC000655465220 410662690 /nfs/dbraw/zinc/66/26/90/410662690.db2.gz CXHWMXFMUWASFX-KMFOADKKSA-N 2 0 237.347 0.324 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655466121 410665963 /nfs/dbraw/zinc/66/59/63/410665963.db2.gz LQZANYBZRIFANV-NHCYSSNCSA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)(C)[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000042308655 166609011 /nfs/dbraw/zinc/60/90/11/166609011.db2.gz ULDPFMGBQZAGLY-UHFFFAOYSA-N 2 0 213.325 0.278 20 0 BCADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCOC1 ZINC000665235368 410727502 /nfs/dbraw/zinc/72/75/02/410727502.db2.gz VAIIPUAZRAPBOV-WUHRBBMRSA-N 2 0 242.363 0.897 20 0 BCADRP CC[C@@H](O)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000665262108 410734882 /nfs/dbraw/zinc/73/48/82/410734882.db2.gz UJIQVJNPPIRHIH-ZRUFSTJUSA-N 2 0 216.325 0.099 20 0 BCADRP Cc1cncc(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])n1 ZINC000665274749 410745390 /nfs/dbraw/zinc/74/53/90/410745390.db2.gz XKSJBEBKPRZGMK-NWDGAFQWSA-N 2 0 220.320 0.797 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655484408 410753276 /nfs/dbraw/zinc/75/32/76/410753276.db2.gz WGQYRCKLFOGEHE-KQXIARHKSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000393796918 410759593 /nfs/dbraw/zinc/75/95/93/410759593.db2.gz KFILNVWEQBJBLJ-NXEZZACHSA-N 2 0 213.325 0.454 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489379 410797683 /nfs/dbraw/zinc/79/76/83/410797683.db2.gz PLVSRMKTAPQWKA-WISYIIOYSA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655488846 410800890 /nfs/dbraw/zinc/80/08/90/410800890.db2.gz HDFWBZNZDQNJEP-TXEJJXNPSA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000019412288 169773646 /nfs/dbraw/zinc/77/36/46/169773646.db2.gz JYPQBQPHHUQSRH-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000372121696 169774074 /nfs/dbraw/zinc/77/40/74/169774074.db2.gz OYMMPONIAXBYOT-LBPRGKRZSA-N 2 0 245.342 0.536 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000040673761 410886680 /nfs/dbraw/zinc/88/66/80/410886680.db2.gz KQCICCNIEJTDAY-PWSUYJOCSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000040673740 410886437 /nfs/dbraw/zinc/88/64/37/410886437.db2.gz BUGMXZPNYNZRFL-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP C[C@@H](NC(=O)[C@H]1CC[NH2+]1)C1CC[NH+](C)CC1 ZINC000396479691 410892048 /nfs/dbraw/zinc/89/20/48/410892048.db2.gz ZNALACVPCYQCBC-MWLCHTKSSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)C[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000037186713 167002548 /nfs/dbraw/zinc/00/25/48/167002548.db2.gz BCGXUGINZQVVBL-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336680764 167002900 /nfs/dbraw/zinc/00/29/00/167002900.db2.gz GTOQYJUOFMRNST-UHFFFAOYSA-N 2 0 200.326 0.689 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000128679151 169779034 /nfs/dbraw/zinc/77/90/34/169779034.db2.gz PBBWUJNTUQDTPH-CYBMUJFWSA-N 2 0 241.379 0.977 20 0 BCADRP CC(C)N1C[C@H]([NH2+][C@H]2CN(C)C[C@H]2C)CC1=O ZINC000358150683 167034096 /nfs/dbraw/zinc/03/40/96/167034096.db2.gz ILZNLWLQSIZDSQ-UTUOFQBUSA-N 2 0 239.363 0.535 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364138978 169779434 /nfs/dbraw/zinc/77/94/34/169779434.db2.gz ABAFKZVDXXEJGE-DGCLKSJQSA-N 2 0 239.363 0.444 20 0 BCADRP CC(C)NC(=O)CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000128930843 167044373 /nfs/dbraw/zinc/04/43/73/167044373.db2.gz LVOXDRIPWAIJOE-RYUDHWBXSA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000041680057 169785032 /nfs/dbraw/zinc/78/50/32/169785032.db2.gz CBPGIOGPKTVYAA-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)OC[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000337340428 167254352 /nfs/dbraw/zinc/25/43/52/167254352.db2.gz PJHUZFDPPBIIAB-GFCCVEGCSA-N 2 0 244.379 0.846 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]21)[NH+](C)C ZINC000368373772 167343625 /nfs/dbraw/zinc/34/36/25/167343625.db2.gz HEESXQBYDRNOGT-TUAOUCFPSA-N 2 0 239.363 0.393 20 0 BCADRP CC(C)[C@@H](C)[NH2+]CCCN1CCC[C@@H]1C(N)=O ZINC000361228306 167379818 /nfs/dbraw/zinc/37/98/18/167379818.db2.gz IPLJHHAJJCOXJX-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000045108027 167395161 /nfs/dbraw/zinc/39/51/61/167395161.db2.gz RYAYFKUXFLWRLW-NXEZZACHSA-N 2 0 215.341 0.284 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000340154997 167395804 /nfs/dbraw/zinc/39/58/04/167395804.db2.gz NJVKIUUZVAZQRF-GRYCIOLGSA-N 2 0 241.379 0.803 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000309252480 167413661 /nfs/dbraw/zinc/41/36/61/167413661.db2.gz FJSZASAGEGUWSQ-MWLCHTKSSA-N 2 0 213.325 0.167 20 0 BCADRP CN(C(=O)CC1([NH3+])CCC1)[C@@H]1CC[NH2+]C1 ZINC000309507027 410955599 /nfs/dbraw/zinc/95/55/99/410955599.db2.gz WFDZKQSMQPXEEU-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]([NH3+])C1CCC1)[NH+]1CCCC1 ZINC000399088771 411015014 /nfs/dbraw/zinc/01/50/14/411015014.db2.gz VRKJCFOSGCKWKA-JQWIXIFHSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)[C@@H](C)[NH3+] ZINC000399692548 411059537 /nfs/dbraw/zinc/05/95/37/411059537.db2.gz YMKBNQUSGLNPRO-UTUOFQBUSA-N 2 0 241.379 0.816 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000062967628 169797238 /nfs/dbraw/zinc/79/72/38/169797238.db2.gz HDZYLXRATVJQSC-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP OC[C@H](CCF)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000652025227 411081077 /nfs/dbraw/zinc/08/10/77/411081077.db2.gz WTEHPTSLSAXHIF-SRVKXCTJSA-N 2 0 230.327 0.923 20 0 BCADRP Cc1n[nH]c(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000400910193 411162889 /nfs/dbraw/zinc/16/28/89/411162889.db2.gz BEILLCFCZPTBOV-IJLUTSLNSA-N 2 0 249.362 0.633 20 0 BCADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ncn(C)n1 ZINC000400928022 411163070 /nfs/dbraw/zinc/16/30/70/411163070.db2.gz HYSMSCHYSVBIEZ-WHOHXGKFSA-N 2 0 249.362 0.854 20 0 BCADRP CC[NH+]1CCC(CNC(=O)C[C@@H](C)[NH3+])CC1 ZINC000044526772 411137200 /nfs/dbraw/zinc/13/72/00/411137200.db2.gz OGXFDFDXXZCAHD-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000309399765 411163474 /nfs/dbraw/zinc/16/34/74/411163474.db2.gz HEJFREQJIHBRDP-LPEHRKFASA-N 2 0 213.325 0.165 20 0 BCADRP Cc1n[nH]c(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000400910190 411163739 /nfs/dbraw/zinc/16/37/39/411163739.db2.gz BEILLCFCZPTBOV-GRYCIOLGSA-N 2 0 249.362 0.633 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N[C@H](C)CCC[NH3+] ZINC000659549825 411153542 /nfs/dbraw/zinc/15/35/42/411153542.db2.gz OZGQKIRZHFSYHB-RKDXNWHRSA-N 2 0 216.329 0.021 20 0 BCADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000651939377 411155332 /nfs/dbraw/zinc/15/53/32/411155332.db2.gz CYLZTJVBIUWADV-KLPPZKSPSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC/C=C/C[NH3+])C1 ZINC000655968770 411164965 /nfs/dbraw/zinc/16/49/65/411164965.db2.gz ZSAORCRDQPNUHZ-VMDCKITASA-N 2 0 240.351 0.141 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC(C)(C)[NH3+] ZINC000309374069 411113858 /nfs/dbraw/zinc/11/38/58/411113858.db2.gz CKEBNCAPCIVWDR-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655504550 411115392 /nfs/dbraw/zinc/11/53/92/411115392.db2.gz FHHOFDQWTAXZIB-POYBYMJQSA-N 2 0 241.257 0.510 20 0 BCADRP C[C@@H](C[NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000309387449 411120687 /nfs/dbraw/zinc/12/06/87/411120687.db2.gz FFTFHKXNBFDYBL-QMMMGPOBSA-N 2 0 207.277 0.679 20 0 BCADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N(C)C ZINC000401004227 411168334 /nfs/dbraw/zinc/16/83/34/411168334.db2.gz ISQLZZRJUBHXGK-FDYHWXHSSA-N 2 0 225.380 0.914 20 0 BCADRP Cn1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000400997631 411168451 /nfs/dbraw/zinc/16/84/51/411168451.db2.gz ACOSNYOKAYAEOG-OUCADQQQSA-N 2 0 248.374 0.940 20 0 BCADRP Cn1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000400997628 411168558 /nfs/dbraw/zinc/16/85/58/411168558.db2.gz ACOSNYOKAYAEOG-MBNYWOFBSA-N 2 0 248.374 0.940 20 0 BCADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N(C)C ZINC000401004230 411168629 /nfs/dbraw/zinc/16/86/29/411168629.db2.gz ISQLZZRJUBHXGK-MROQNXINSA-N 2 0 225.380 0.914 20 0 BCADRP O=C(NCCC1CC[NH2+]CC1)N[C@H]1CC[NH2+]C1 ZINC000652204754 411169524 /nfs/dbraw/zinc/16/95/24/411169524.db2.gz BCUXWCFOLQLUDI-NSHDSACASA-N 2 0 240.351 0.037 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)NCC[NH3+] ZINC000652201592 411170698 /nfs/dbraw/zinc/17/06/98/411170698.db2.gz KDIFZTNFPUAGJG-UHFFFAOYSA-N 2 0 230.356 0.222 20 0 BCADRP CN(CC[NH+]1CCCCC1)C(=O)NCCC[NH3+] ZINC000652203271 411170919 /nfs/dbraw/zinc/17/09/19/411170919.db2.gz HDDFVEXVNYOPAT-UHFFFAOYSA-N 2 0 242.367 0.463 20 0 BCADRP C[NH2+]CCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652200283 411171331 /nfs/dbraw/zinc/17/13/31/411171331.db2.gz VADKZUXICSIRKR-UHFFFAOYSA-N 2 0 228.340 0.024 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)NCCC1CC[NH2+]CC1 ZINC000652211707 411172246 /nfs/dbraw/zinc/17/22/46/411172246.db2.gz IGYKCXGQPXUUKG-JTQLQIEISA-N 2 0 242.367 0.413 20 0 BCADRP CC(C)(CO)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401037911 411173180 /nfs/dbraw/zinc/17/31/80/411173180.db2.gz ZOTIQQFTCZESAF-IJLUTSLNSA-N 2 0 226.364 0.983 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652217582 411173272 /nfs/dbraw/zinc/17/32/72/411173272.db2.gz AQLJAZYATQIBNV-NHCYSSNCSA-N 2 0 240.351 0.104 20 0 BCADRP CN(C)C(=O)C[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000401028557 411173699 /nfs/dbraw/zinc/17/36/99/411173699.db2.gz BGFKIRPSVVMRPS-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061644095 411174799 /nfs/dbraw/zinc/17/47/99/411174799.db2.gz RDFRXSRAFZFOBN-UWVGGRQHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1nncn1C ZINC000401050644 411174841 /nfs/dbraw/zinc/17/48/41/411174841.db2.gz XYTVYQBKUCCGNF-WHOHXGKFSA-N 2 0 249.362 0.854 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000309565124 411175530 /nfs/dbraw/zinc/17/55/30/411175530.db2.gz QGFDDSBGDCFTHY-VHSXEESVSA-N 2 0 211.309 0.078 20 0 BCADRP CC[C@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000659563995 411176088 /nfs/dbraw/zinc/17/60/88/411176088.db2.gz ALNOITGUUVWRAN-GARJFASQSA-N 2 0 240.351 0.117 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000132956117 411177673 /nfs/dbraw/zinc/17/76/73/411177673.db2.gz MMOYFRJKGAWXFH-AXFHLTTASA-N 2 0 227.352 0.569 20 0 BCADRP CNC(=O)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401125923 411178399 /nfs/dbraw/zinc/17/83/99/411178399.db2.gz LASGBUNLQOLWPH-IJLUTSLNSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000054133566 411243627 /nfs/dbraw/zinc/24/36/27/411243627.db2.gz MYCWSMXIWAGCOP-LLVKDONJSA-N 2 0 229.368 0.816 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)C[NH+](C)C ZINC000404775486 411184695 /nfs/dbraw/zinc/18/46/95/411184695.db2.gz ZFRYXYMETBSTKR-UHFFFAOYSA-N 2 0 235.331 0.584 20 0 BCADRP [NH3+]C[C@@H](NC(=O)CC[NH2+]C1CC1)C(F)(F)F ZINC000655517098 411187055 /nfs/dbraw/zinc/18/70/55/411187055.db2.gz DIUQDDAYKOSHIZ-SSDOTTSWSA-N 2 0 239.241 0.134 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000656192627 411198513 /nfs/dbraw/zinc/19/85/13/411198513.db2.gz MEUQVAPXLNXWGU-WOPDTQHZSA-N 2 0 211.353 0.988 20 0 BCADRP [NH3+]CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)C(F)F ZINC000656192985 411198546 /nfs/dbraw/zinc/19/85/46/411198546.db2.gz DIUNLDYRNFDLRE-CIUDSAMLSA-N 2 0 221.295 0.828 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000656193165 411199380 /nfs/dbraw/zinc/19/93/80/411199380.db2.gz WJCHGNPZGLXFAL-GRYCIOLGSA-N 2 0 211.353 0.988 20 0 BCADRP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656199098 411201528 /nfs/dbraw/zinc/20/15/28/411201528.db2.gz LIZACRJKAWNGBG-YVECIDJPSA-N 2 0 242.363 0.897 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000652338479 411204197 /nfs/dbraw/zinc/20/41/97/411204197.db2.gz ICPMTHOPRFDOEU-NWDGAFQWSA-N 2 0 228.336 0.069 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1C[NH2+]C1 ZINC000656200134 411205123 /nfs/dbraw/zinc/20/51/23/411205123.db2.gz KAALENXZAJDGBC-FOGDFJRCSA-N 3 0 211.353 0.524 20 0 BCADRP C[C@@H]1CCNC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656200263 411205157 /nfs/dbraw/zinc/20/51/57/411205157.db2.gz KPDREHRSEJMFBA-FVCCEPFGSA-N 2 0 225.380 0.914 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000652341826 411205412 /nfs/dbraw/zinc/20/54/12/411205412.db2.gz XZFZWYVQWRIHNN-KBPBESRZSA-N 2 0 249.358 0.841 20 0 BCADRP C[C@@H](Cn1cncn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000658029136 411205378 /nfs/dbraw/zinc/20/53/78/411205378.db2.gz GOZNTCUDPHZNFG-WODVXLOZSA-N 2 0 249.362 0.881 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000652341828 411205696 /nfs/dbraw/zinc/20/56/96/411205696.db2.gz XZFZWYVQWRIHNN-UONOGXRCSA-N 2 0 249.358 0.841 20 0 BCADRP COCC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347020 411209025 /nfs/dbraw/zinc/20/90/25/411209025.db2.gz OFXUJESIWMJSBK-XQQFMLRXSA-N 2 0 242.363 0.851 20 0 BCADRP C[C@H](CO)C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000652358563 411213534 /nfs/dbraw/zinc/21/35/34/411213534.db2.gz RVVFQCAFQOYXRV-VXGBXAGGSA-N 2 0 226.364 0.936 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000659293728 411214432 /nfs/dbraw/zinc/21/44/32/411214432.db2.gz GZCCBNUVWLEXCG-GHMZBOCLSA-N 2 0 227.352 0.489 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000659293731 411214495 /nfs/dbraw/zinc/21/44/95/411214495.db2.gz GZCCBNUVWLEXCG-MNOVXSKESA-N 2 0 227.352 0.489 20 0 BCADRP C[N@H+](CCc1ccccc1)C[C@@H](O)C[NH3+] ZINC000077302150 411217708 /nfs/dbraw/zinc/21/77/08/411217708.db2.gz ZKXKAYRTOWQEIQ-LBPRGKRZSA-N 2 0 208.305 0.481 20 0 BCADRP C[N@H+](CCc1ccccc1)C[C@H](O)C[NH3+] ZINC000077302147 411217833 /nfs/dbraw/zinc/21/78/33/411217833.db2.gz ZKXKAYRTOWQEIQ-GFCCVEGCSA-N 2 0 208.305 0.481 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000659295858 411225790 /nfs/dbraw/zinc/22/57/90/411225790.db2.gz GEGLXDXGGLTFPR-NXEZZACHSA-N 2 0 213.325 0.193 20 0 BCADRP CO[C@](C)(CO)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000655785698 411228010 /nfs/dbraw/zinc/22/80/10/411228010.db2.gz NDUVEUHFGMHDGG-UPJWGTAASA-N 2 0 242.363 0.600 20 0 BCADRP CO[C@@](C)(CO)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000655787477 411235722 /nfs/dbraw/zinc/23/57/22/411235722.db2.gz WNEQUQXYLVUMIF-CYBMUJFWSA-N 2 0 244.379 0.846 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CCO)C1 ZINC000310422137 411236078 /nfs/dbraw/zinc/23/60/78/411236078.db2.gz QVIBSFNSRAYOOJ-OLZOCXBDSA-N 2 0 244.379 0.393 20 0 BCADRP CO[C@H]1CCCN(C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000310542884 411240516 /nfs/dbraw/zinc/24/05/16/411240516.db2.gz RLSYKQAPQMGYRI-OLZOCXBDSA-N 2 0 244.379 0.798 20 0 BCADRP CCC[N@H+](CC[C@H]1CC[NH2+]C1)CC(=O)N(C)C ZINC000396728956 411240630 /nfs/dbraw/zinc/24/06/30/411240630.db2.gz CKCPMNKWIADHHO-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP OC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000400968547 411166428 /nfs/dbraw/zinc/16/64/28/411166428.db2.gz OGCXIMNPBPWCIG-GRYCIOLGSA-N 2 0 224.348 0.879 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659557456 411166652 /nfs/dbraw/zinc/16/66/52/411166652.db2.gz YDALHRBQOUEOSV-RKVXJDFWSA-N 2 0 240.351 0.163 20 0 BCADRP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n[nH]1 ZINC000400958377 411166667 /nfs/dbraw/zinc/16/66/67/411166667.db2.gz IAQDIEQPOWKAHX-HBNTYKKESA-N 2 0 220.320 0.887 20 0 BCADRP OCCOCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400986736 411167210 /nfs/dbraw/zinc/16/72/10/411167210.db2.gz ZICOLFQLABAIQD-JHJVBQTASA-N 2 0 242.363 0.363 20 0 BCADRP C[C@H]([NH3+])Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000656456679 411265604 /nfs/dbraw/zinc/26/56/04/411265604.db2.gz IQQOTNPMQAOULS-QMMMGPOBSA-N 2 0 209.297 0.092 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000062858945 411327228 /nfs/dbraw/zinc/32/72/28/411327228.db2.gz XMLZEYSQEANKNE-WCQYABFASA-N 2 0 239.363 0.587 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C[C@@H]1CC[NH2+]C1 ZINC000309840791 411268036 /nfs/dbraw/zinc/26/80/36/411268036.db2.gz OXTZQASLPJURLR-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C[C@H]1CC[NH2+]C1 ZINC000309840790 411268511 /nfs/dbraw/zinc/26/85/11/411268511.db2.gz OXTZQASLPJURLR-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H]([NH3+])Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000656463903 411272113 /nfs/dbraw/zinc/27/21/13/411272113.db2.gz QTGLLHZZLCZNIZ-ZJUUUORDSA-N 2 0 223.324 0.167 20 0 BCADRP [NH3+]Cc1cn(CCC[NH+]2CCSCC2)nn1 ZINC000656450632 411272649 /nfs/dbraw/zinc/27/26/49/411272649.db2.gz YAOBNUXHOJOHQM-UHFFFAOYSA-N 2 0 241.364 0.176 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000659641201 411276021 /nfs/dbraw/zinc/27/60/21/411276021.db2.gz DSIOOZXTNOXVEU-HBNTYKKESA-N 2 0 242.367 0.506 20 0 BCADRP c1c([C@H]2CCC[NH2+]C2)nnn1[C@@H]1CCC[NH2+]C1 ZINC000656466302 411278706 /nfs/dbraw/zinc/27/87/06/411278706.db2.gz BTMVSIPHPKORPH-WDEREUQCSA-N 2 0 235.335 0.670 20 0 BCADRP CC(C)([NH3+])c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656466690 411278740 /nfs/dbraw/zinc/27/87/40/411278740.db2.gz GVYOIGWCKAUEBX-QMMMGPOBSA-N 2 0 209.297 0.396 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000656467459 411279735 /nfs/dbraw/zinc/27/97/35/411279735.db2.gz CIPBROPWDWPTIC-WPRPVWTQSA-N 2 0 223.324 0.858 20 0 BCADRP c1c(C[C@@H]2CCC[NH2+]C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000656468733 411281019 /nfs/dbraw/zinc/28/10/19/411281019.db2.gz RGMDBXGNQSPISU-CMPLNLGQSA-N 2 0 235.335 0.355 20 0 BCADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)N(C)C ZINC000051919203 411286335 /nfs/dbraw/zinc/28/63/35/411286335.db2.gz CAPUMUUZOIIBLW-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP CSC1CC[NH+](CCOCC[NH3+])CC1 ZINC000300887687 411292675 /nfs/dbraw/zinc/29/26/75/411292675.db2.gz UASJXPMSZFALER-UHFFFAOYSA-N 2 0 218.366 0.789 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000659643294 411293551 /nfs/dbraw/zinc/29/35/51/411293551.db2.gz PYFQCTMUSMKSIG-MNOVXSKESA-N 2 0 242.367 0.235 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000659643830 411295542 /nfs/dbraw/zinc/29/55/42/411295542.db2.gz UOZNRAXDGUCKOG-GARJFASQSA-N 2 0 240.351 0.130 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000659644118 411296390 /nfs/dbraw/zinc/29/63/90/411296390.db2.gz VVJOIGBJTGZYHU-OUAUKWLOSA-N 2 0 242.367 0.221 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000659303703 411296506 /nfs/dbraw/zinc/29/65/06/411296506.db2.gz VBCOAHZBUBTSNY-ZJUUUORDSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000659310073 411314499 /nfs/dbraw/zinc/31/44/99/411314499.db2.gz UCBGWOUSILQSKV-NSHDSACASA-N 2 0 227.352 0.714 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)[C@@H](C)C1 ZINC000658259667 411318159 /nfs/dbraw/zinc/31/81/59/411318159.db2.gz NGGNMRYGWZBUBD-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000335053886 411321914 /nfs/dbraw/zinc/32/19/14/411321914.db2.gz STRFJECBHSJFTQ-JTQLQIEISA-N 2 0 237.347 0.434 20 0 BCADRP [NH3+]CCCCn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000656439097 411256098 /nfs/dbraw/zinc/25/60/98/411256098.db2.gz JQEJKDRTMYTXOY-LLVKDONJSA-N 2 0 237.351 0.559 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCC(C)(C)[NH3+] ZINC000653445788 411257105 /nfs/dbraw/zinc/25/71/05/411257105.db2.gz WIEGOEBRBNXYRJ-VHSXEESVSA-N 2 0 227.352 0.842 20 0 BCADRP C[NH2+][C@H]1CCN(c2nc(N)[nH+]c3c2CCCC3)C1 ZINC000114193279 411257715 /nfs/dbraw/zinc/25/77/15/411257715.db2.gz ZWSSEDGUWNMSRJ-VIFPVBQESA-N 2 0 247.346 0.736 20 0 BCADRP C[C@H]([NH2+][C@H]1C[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000658350286 411352253 /nfs/dbraw/zinc/35/22/53/411352253.db2.gz OHEUPWKMASCTDD-DLOVCJGASA-N 2 0 212.337 0.830 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000659326294 411354271 /nfs/dbraw/zinc/35/42/71/411354271.db2.gz QSPGXPYYUVEJEO-WOPDTQHZSA-N 2 0 241.379 0.816 20 0 BCADRP COC[C@@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000660616466 411355637 /nfs/dbraw/zinc/35/56/37/411355637.db2.gz LOGFAQXVXXSOFM-CHWSQXEVSA-N 2 0 242.363 0.675 20 0 BCADRP c1cn(C[C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)nn1 ZINC000656786848 411365401 /nfs/dbraw/zinc/36/54/01/411365401.db2.gz BGNLKSPPRADHQK-ZDUSSCGKSA-N 2 0 249.362 0.600 20 0 BCADRP CCCNC(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000070188591 411371281 /nfs/dbraw/zinc/37/12/81/411371281.db2.gz LKESHDGDIXTGPH-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](c1cccnc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148534 411334703 /nfs/dbraw/zinc/33/47/03/411334703.db2.gz VUCQDVMFMSZMGR-CYBMUJFWSA-N 2 0 248.374 0.980 20 0 BCADRP C[C@H](c1ccccn1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148827 411334778 /nfs/dbraw/zinc/33/47/78/411334778.db2.gz MTVSCYDYFXGYSA-CYBMUJFWSA-N 2 0 248.374 0.980 20 0 BCADRP C[C@@H](c1cccnc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148532 411334883 /nfs/dbraw/zinc/33/48/83/411334883.db2.gz VUCQDVMFMSZMGR-ZDUSSCGKSA-N 2 0 248.374 0.980 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C[C@H](C)[NH3+])C1 ZINC000062972800 411335054 /nfs/dbraw/zinc/33/50/54/411335054.db2.gz BSTOOFSYWNNGAX-QWRGUYRKSA-N 2 0 227.352 0.666 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+]CCc1ccoc1 ZINC000656715183 411338590 /nfs/dbraw/zinc/33/85/90/411338590.db2.gz ZGZNJHGHJLJCQA-GFCCVEGCSA-N 2 0 226.320 0.724 20 0 BCADRP COC[C@@H](C[NH+]1CCC(C[NH+](C)C)CC1)OC ZINC000659846035 411340059 /nfs/dbraw/zinc/34/00/59/411340059.db2.gz YTDRHEXLQNKYTI-CYBMUJFWSA-N 2 0 244.379 0.921 20 0 BCADRP COC[C@H](C[NH+]1CCC(C[NH+](C)C)CC1)OC ZINC000659846042 411340135 /nfs/dbraw/zinc/34/01/35/411340135.db2.gz YTDRHEXLQNKYTI-ZDUSSCGKSA-N 2 0 244.379 0.921 20 0 BCADRP CC1(NC(=O)[C@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000193375621 168059555 /nfs/dbraw/zinc/05/95/55/168059555.db2.gz MUZZDSLXXPZNTA-JTQLQIEISA-N 2 0 225.336 0.244 20 0 BCADRP CC1CC([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000309089890 168145964 /nfs/dbraw/zinc/14/59/64/168145964.db2.gz ARBPGXFUYCDCLD-UHFFFAOYSA-N 2 0 212.337 0.831 20 0 BCADRP CC1CC[NH+](CC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000077339148 168179271 /nfs/dbraw/zinc/17/92/71/168179271.db2.gz LOELQCFFZFEHMF-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[NH+]1CCC(C)CC1 ZINC000040772494 168181476 /nfs/dbraw/zinc/18/14/76/168181476.db2.gz AKPJTXZQQBWVCL-LBPRGKRZSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H](CNC(=O)C(C)(C)[NH3+])[NH+]1CCC(C)CC1 ZINC000236626466 168187097 /nfs/dbraw/zinc/18/70/97/168187097.db2.gz VCZUWJFHYVHNCW-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)[C@@H]1CCC[NH3+] ZINC000659375961 411389647 /nfs/dbraw/zinc/38/96/47/411389647.db2.gz IKLAJHCBYIZTHE-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP CNC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404299756 411389917 /nfs/dbraw/zinc/38/99/17/411389917.db2.gz FQDBWCQZGCUONP-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP CNC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404299754 411390237 /nfs/dbraw/zinc/39/02/37/411390237.db2.gz FQDBWCQZGCUONP-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP CN1CCC[C@H]([NH+]2CCC(C[NH3+])CC2)C1=O ZINC000662235824 411384454 /nfs/dbraw/zinc/38/44/54/411384454.db2.gz TWKHZPWSCJCFNP-NSHDSACASA-N 2 0 225.336 0.278 20 0 BCADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[NH+]1CCC1 ZINC000357673329 168302043 /nfs/dbraw/zinc/30/20/43/168302043.db2.gz KYYFYWVYTFHEBM-LLVKDONJSA-N 2 0 241.379 0.975 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000638196741 411456961 /nfs/dbraw/zinc/45/69/61/411456961.db2.gz AUDPDYRQZIWBOF-GMTAPVOTSA-N 2 0 223.320 0.420 20 0 BCADRP CC(C)[NH2+]CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000659311538 411392952 /nfs/dbraw/zinc/39/29/52/411392952.db2.gz WUSHXNYBCMIZKM-LLVKDONJSA-N 2 0 227.352 0.633 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000659311394 411393128 /nfs/dbraw/zinc/39/31/28/411393128.db2.gz KFKAJAXJTUWEAF-NSHDSACASA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1CCC[N@H+](CC(=O)N(C)C)[C@H]1CC[NH3+] ZINC000404436056 411396229 /nfs/dbraw/zinc/39/62/29/411396229.db2.gz RKDUCOVTRWDPMU-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653044186 411401944 /nfs/dbraw/zinc/40/19/44/411401944.db2.gz WGDLBRJTHWUOLT-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+]C1CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653042907 411402041 /nfs/dbraw/zinc/40/20/41/411402041.db2.gz MBXUBKZZZBNFBC-RYUDHWBXSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000653046065 411402594 /nfs/dbraw/zinc/40/25/94/411402594.db2.gz FFDXPYJLQNKCOS-SDDRHHMPSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653044845 411403233 /nfs/dbraw/zinc/40/32/33/411403233.db2.gz FHVDCSZERWMWCO-WDEREUQCSA-N 2 0 225.336 0.243 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]CC1 ZINC000653048183 411403689 /nfs/dbraw/zinc/40/36/89/411403689.db2.gz OABLBMNVTXFDHB-QWRGUYRKSA-N 2 0 225.336 0.244 20 0 BCADRP CN(C(=O)[C@@H]1CCC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000653049814 411403996 /nfs/dbraw/zinc/40/39/96/411403996.db2.gz GMEAFWHBGWECJN-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653048172 411404369 /nfs/dbraw/zinc/40/43/69/411404369.db2.gz NHISGWSUHVEOLU-TUAOUCFPSA-N 2 0 237.347 0.385 20 0 BCADRP [NH3+]CC1(NC(=O)[C@@H]2CCC[NH2+]CC2)CCCC1 ZINC000653050175 411405090 /nfs/dbraw/zinc/40/50/90/411405090.db2.gz HBZXSSDDEXGOFM-LLVKDONJSA-N 2 0 239.363 0.764 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653051011 411405238 /nfs/dbraw/zinc/40/52/38/411405238.db2.gz CQFBGVYJBAXQLU-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000653050574 411405258 /nfs/dbraw/zinc/40/52/58/411405258.db2.gz CEXRWCMCDBBNPI-GWCFXTLKSA-N 2 0 239.363 0.620 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653054079 411405998 /nfs/dbraw/zinc/40/59/98/411405998.db2.gz UNBLFRQLFBUIBQ-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653053138 411406129 /nfs/dbraw/zinc/40/61/29/411406129.db2.gz WPFPPDHQCLSRDA-AAEUAGOBSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659378632 411406586 /nfs/dbraw/zinc/40/65/86/411406586.db2.gz NAELDDWUTIUADK-MXWKQRLJSA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000659388571 411410535 /nfs/dbraw/zinc/41/05/35/411410535.db2.gz KJACGGOAGYZTGP-LNFKQOIKSA-N 2 0 245.342 0.504 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000659450662 411415609 /nfs/dbraw/zinc/41/56/09/411415609.db2.gz DJXMSHPRQFLMLI-UWVGGRQHSA-N 2 0 242.367 0.376 20 0 BCADRP CCN(C)C[C@@H](O)C[N@H+](CCO)CC(C)(C)C ZINC000653553910 411420582 /nfs/dbraw/zinc/42/05/82/411420582.db2.gz ISTWCTPZNYOUKH-GFCCVEGCSA-N 2 0 246.395 0.639 20 0 BCADRP CCn1ccnc1CNC(=O)N[C@H](C)C[NH2+]C ZINC000659498922 411421776 /nfs/dbraw/zinc/42/17/76/411421776.db2.gz CDNOIHYYDOKIIZ-SECBINFHSA-N 2 0 239.323 0.310 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000659505342 411423060 /nfs/dbraw/zinc/42/30/60/411423060.db2.gz UIMMLLVAKYKCGY-UHFFFAOYSA-N 2 0 228.340 0.117 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NCCC[NH2+]C1CC1 ZINC000659506320 411423919 /nfs/dbraw/zinc/42/39/19/411423919.db2.gz PIPVRXXKZWIRSX-UHFFFAOYSA-N 2 0 242.367 0.507 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NCCC[NH2+]C1CC1 ZINC000659506081 411424051 /nfs/dbraw/zinc/42/40/51/411424051.db2.gz KOZZXXRDOFVKGU-VIFPVBQESA-N 2 0 228.340 0.036 20 0 BCADRP C[C@H](NC(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000659511126 411424758 /nfs/dbraw/zinc/42/47/58/411424758.db2.gz OSHCDIMMXZVOMG-AXFHLTTASA-N 2 0 240.351 0.036 20 0 BCADRP CCC[NH2+]CCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659525008 411428154 /nfs/dbraw/zinc/42/81/54/411428154.db2.gz CFYWEMHZRVTABV-NXEZZACHSA-N 2 0 246.330 0.067 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@@H](C)C[NH2+]C ZINC000659525275 411428477 /nfs/dbraw/zinc/42/84/77/411428477.db2.gz YIEMFYVIZNZDIG-UWVGGRQHSA-N 2 0 230.356 0.411 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000659526658 411429264 /nfs/dbraw/zinc/42/92/64/411429264.db2.gz DTRHQXQUPAPNBK-SECBINFHSA-N 2 0 228.340 0.102 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659530834 411429742 /nfs/dbraw/zinc/42/97/42/411429742.db2.gz UUMAJXRZNVWKNZ-MRVPVSSYSA-N 2 0 216.329 0.102 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000659536137 411430891 /nfs/dbraw/zinc/43/08/91/411430891.db2.gz GKDCXSMDZGDAIQ-LPEHRKFASA-N 2 0 228.340 0.163 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000659551555 411434676 /nfs/dbraw/zinc/43/46/76/411434676.db2.gz VFRPCCOGCWUXQE-VWYCJHECSA-N 2 0 242.367 0.506 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000659556622 411435549 /nfs/dbraw/zinc/43/55/49/411435549.db2.gz ZZAFNZVAYNRKCX-LPEHRKFASA-N 2 0 228.340 0.021 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000659561144 411436352 /nfs/dbraw/zinc/43/63/52/411436352.db2.gz GTEVEPALCSQWBL-GARJFASQSA-N 2 0 242.367 0.234 20 0 BCADRP CCO[C@@H]1C[N@H+](CCCF)C[C@H]1C[NH3+] ZINC000405626301 411437313 /nfs/dbraw/zinc/43/73/13/411437313.db2.gz XNEGLWRGLICWNH-NXEZZACHSA-N 2 0 204.289 0.642 20 0 BCADRP CCO[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000405638930 411437821 /nfs/dbraw/zinc/43/78/21/411437821.db2.gz CBRFZHDXDMSXFV-VXGBXAGGSA-N 2 0 238.335 0.216 20 0 BCADRP CCO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1C[NH3+] ZINC000405696666 411439136 /nfs/dbraw/zinc/43/91/36/411439136.db2.gz PGHTTYZJFFFAEE-VXGBXAGGSA-N 2 0 230.352 0.707 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659576099 411439405 /nfs/dbraw/zinc/43/94/05/411439405.db2.gz ADZYDTXQQANVAE-JTQLQIEISA-N 2 0 240.351 0.261 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000659575639 411439627 /nfs/dbraw/zinc/43/96/27/411439627.db2.gz RQXADNROYQUCFR-UHFFFAOYSA-N 2 0 242.367 0.637 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000659507610 411463575 /nfs/dbraw/zinc/46/35/75/411463575.db2.gz KAEKEUZFVVSQRQ-VHSXEESVSA-N 2 0 228.340 0.036 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH2+]CC2)C1 ZINC000659609175 411441244 /nfs/dbraw/zinc/44/12/44/411441244.db2.gz IIGMRUJOBVTQPI-NSHDSACASA-N 2 0 240.351 0.086 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000659611149 411441599 /nfs/dbraw/zinc/44/15/99/411441599.db2.gz PTOWBAKJDYTUGX-QWRGUYRKSA-N 2 0 240.351 0.213 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000659611150 411441696 /nfs/dbraw/zinc/44/16/96/411441696.db2.gz PTOWBAKJDYTUGX-WDEREUQCSA-N 2 0 240.351 0.213 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000637834228 411444292 /nfs/dbraw/zinc/44/42/92/411444292.db2.gz ASAYQMOONFLTLD-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000637834215 411444297 /nfs/dbraw/zinc/44/42/97/411444297.db2.gz YTJCEZZXAXCFOW-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000659634194 411444656 /nfs/dbraw/zinc/44/46/56/411444656.db2.gz JEIXJCONISGFPQ-SNVBAGLBSA-N 2 0 240.351 0.084 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N(C)CC[NH+]1CCCC1 ZINC000659644953 411447106 /nfs/dbraw/zinc/44/71/06/411447106.db2.gz ICYHQEVUVTUWTH-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659516334 411470536 /nfs/dbraw/zinc/47/05/36/411470536.db2.gz IAKDPZFEYAARGO-KXUCPTDWSA-N 2 0 246.330 0.050 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@@H](C)C[NH2+]C ZINC000659522289 411479199 /nfs/dbraw/zinc/47/91/99/411479199.db2.gz JYPLONKMXIGAPO-VIFPVBQESA-N 2 0 230.356 0.411 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407354930 411480847 /nfs/dbraw/zinc/48/08/47/411480847.db2.gz NUYFIIBENQUAPT-RYUDHWBXSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH3+])C1 ZINC000659529223 411486201 /nfs/dbraw/zinc/48/62/01/411486201.db2.gz APCMFEGNZWIHBA-ZJUUUORDSA-N 2 0 228.340 0.117 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000659530043 411489087 /nfs/dbraw/zinc/48/90/87/411489087.db2.gz NMVQXPORAPNDKF-ZYHUDNBSSA-N 2 0 242.367 0.283 20 0 BCADRP CC[NH+]1CCC(C[NH2+]CCC(N)=O)CC1 ZINC000044518511 169952154 /nfs/dbraw/zinc/95/21/54/169952154.db2.gz XXCRWZCOSXVVNO-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP c1cncc([C@H]2C[NH2+]CCN2C[C@H]2CC[NH2+]C2)c1 ZINC000647952924 411495440 /nfs/dbraw/zinc/49/54/40/411495440.db2.gz FPCPAGLVGRLYSO-GXTWGEPZSA-N 2 0 246.358 0.637 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000659534199 411496294 /nfs/dbraw/zinc/49/62/94/411496294.db2.gz AVLUDOCDQKJYQM-VHSXEESVSA-N 2 0 228.340 0.036 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000309466533 411496432 /nfs/dbraw/zinc/49/64/32/411496432.db2.gz QAIAXTOQFJXPCQ-UWVGGRQHSA-N 2 0 213.325 0.230 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000309478801 411497350 /nfs/dbraw/zinc/49/73/50/411497350.db2.gz CWHBQGHFXDODFP-BDAKNGLRSA-N 2 0 213.325 0.099 20 0 BCADRP CC(C)(C)C[N@H+](CCO)C[C@@H]1CC[NH2+]C1 ZINC000309484570 411498932 /nfs/dbraw/zinc/49/89/32/411498932.db2.gz FSXYODLXEAXJNU-LLVKDONJSA-N 2 0 214.353 0.936 20 0 BCADRP C[NH2+]CC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638873077 411511936 /nfs/dbraw/zinc/51/19/36/411511936.db2.gz CBTIEZONFHBZLY-GFCCVEGCSA-N 2 0 235.331 0.282 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC/C=C/C[NH3+])C1 ZINC000659544196 411511991 /nfs/dbraw/zinc/51/19/91/411511991.db2.gz QYVQZXZWNALZMO-PGLGOXFNSA-N 2 0 240.351 0.285 20 0 BCADRP COCC[C@@H](CO)[NH2+]Cc1cnc2n1CCC2 ZINC000657458860 411516937 /nfs/dbraw/zinc/51/69/37/411516937.db2.gz QJTQSQHRHRFZKL-JTQLQIEISA-N 2 0 239.319 0.316 20 0 BCADRP Cn1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cn1 ZINC000655826046 411528288 /nfs/dbraw/zinc/52/82/88/411528288.db2.gz DWCYNFXYUJJYLL-KLPPZKSPSA-N 2 0 222.336 0.850 20 0 BCADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CO1 ZINC000657325169 411465293 /nfs/dbraw/zinc/46/52/93/411465293.db2.gz GJJXOUMKOXEADI-FRRDWIJNSA-N 2 0 242.363 0.600 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)CCC[NH3+])C1 ZINC000037484139 170006646 /nfs/dbraw/zinc/00/66/46/170006646.db2.gz JFVYFTFLUKUYRZ-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH2+]C)C[C@H]1C ZINC000357254784 170009889 /nfs/dbraw/zinc/00/98/89/170009889.db2.gz ZIZFDQJRGKEUBT-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH3+])[C@@H](C)C1 ZINC000246262661 170010564 /nfs/dbraw/zinc/01/05/64/170010564.db2.gz LDJYNLHXHYCWKM-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000236846672 170010731 /nfs/dbraw/zinc/01/07/31/170010731.db2.gz PFISQAIHJLOXSU-HBNTYKKESA-N 2 0 227.352 0.522 20 0 BCADRP CC[N@@H+]1CC[C@@H](NCC[NH+](C)C)[C@@H](C)C1 ZINC000308864806 170011970 /nfs/dbraw/zinc/01/19/70/170011970.db2.gz ABRMKFZHJSRNDV-NWDGAFQWSA-N 2 0 213.369 0.868 20 0 BCADRP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000335150627 170013351 /nfs/dbraw/zinc/01/33/51/170013351.db2.gz PBPOEQJBYLGKPQ-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C[NH3+])C(C)C)C1 ZINC000044802666 170015786 /nfs/dbraw/zinc/01/57/86/170015786.db2.gz YFKAYFBHZIUWDY-NEPJUHHUSA-N 2 0 241.379 0.675 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000040464018 170015755 /nfs/dbraw/zinc/01/57/55/170015755.db2.gz IGDRZIASAYLXKY-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH3+])[C@@H](C)C1 ZINC000246262641 170016604 /nfs/dbraw/zinc/01/66/04/170016604.db2.gz LDJYNLHXHYCWKM-UWVGGRQHSA-N 2 0 213.325 0.134 20 0 BCADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)COC)C1 ZINC000250361149 170017109 /nfs/dbraw/zinc/01/71/09/170017109.db2.gz UAJSUKJGWPIBRH-GHMZBOCLSA-N 2 0 200.326 0.953 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C[NH3+])C[C@H]1C ZINC000357253135 170018301 /nfs/dbraw/zinc/01/83/01/170018301.db2.gz WRUGUOCSNKKDDI-UTUOFQBUSA-N 2 0 241.379 0.912 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](COC)OC)[C@@H](C)C1 ZINC000358428909 170020156 /nfs/dbraw/zinc/02/01/56/170020156.db2.gz DWKKBHSVJCZMOF-AVGNSLFASA-N 2 0 244.379 0.968 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CCOC2)[C@@H](C)C1 ZINC000358225810 170021096 /nfs/dbraw/zinc/02/10/96/170021096.db2.gz MRLOODQJKKJNHW-RWMBFGLXSA-N 2 0 242.363 0.458 20 0 BCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH2+]C ZINC000367641900 170023916 /nfs/dbraw/zinc/02/39/16/170023916.db2.gz FZDGTDHBFBFXEF-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP CCN1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1=O ZINC000332600930 170040923 /nfs/dbraw/zinc/04/09/23/170040923.db2.gz AULWXNAVCLXBSW-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000113656115 170111951 /nfs/dbraw/zinc/11/19/51/170111951.db2.gz GAJHVSPEPWMGHN-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP CC[NH2+]CCNC(=O)C1([NH3+])CCCCC1 ZINC000236887623 170113754 /nfs/dbraw/zinc/11/37/54/170113754.db2.gz LIILOYSEVZFQRP-UHFFFAOYSA-N 2 0 213.325 0.374 20 0 BCADRP CC[NH2+]CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000236957248 170114911 /nfs/dbraw/zinc/11/49/11/170114911.db2.gz VUBWIWGXWYXZFF-NSHDSACASA-N 2 0 213.325 0.244 20 0 BCADRP CC[NH2+]CCNC(=O)c1c[nH+]ccc1N ZINC000187174384 170115204 /nfs/dbraw/zinc/11/52/04/170115204.db2.gz UGYJQQMWQILCPY-UHFFFAOYSA-N 2 0 208.265 0.003 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000358946630 170157769 /nfs/dbraw/zinc/15/77/69/170157769.db2.gz RKGJGHRRMXNIKL-NEPJUHHUSA-N 2 0 241.379 0.880 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[NH2+][C@@H]1CC ZINC000353424849 170158128 /nfs/dbraw/zinc/15/81/28/170158128.db2.gz GIIJZDGLMDCEMW-OUAUKWLOSA-N 2 0 227.352 0.489 20 0 BCADRP CCOC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724275 170218492 /nfs/dbraw/zinc/21/84/92/170218492.db2.gz KXDVLSWITFRCIZ-SNVBAGLBSA-N 2 0 214.309 0.610 20 0 BCADRP CCOC(=O)[C@H](CC)[NH+]1CCC(C[NH3+])CC1 ZINC000082759324 170271366 /nfs/dbraw/zinc/27/13/66/170271366.db2.gz KPYJAFPDSIHCCM-NSHDSACASA-N 2 0 228.336 0.999 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)CN(C)CC1(CO)CC1 ZINC000660374917 411575449 /nfs/dbraw/zinc/57/54/49/411575449.db2.gz KPECJLZHXVTPLQ-LBPRGKRZSA-N 2 0 244.379 0.392 20 0 BCADRP NC(=O)CC[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000663375045 411640837 /nfs/dbraw/zinc/64/08/37/411640837.db2.gz RPMYVEZAKDESSH-UHFFFAOYSA-N 2 0 239.363 0.573 20 0 BCADRP O[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657808987 411601929 /nfs/dbraw/zinc/60/19/29/411601929.db2.gz RJVXLOLLVDBDOX-MJHDQNEOSA-N 2 0 244.298 0.880 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000657836916 411609428 /nfs/dbraw/zinc/60/94/28/411609428.db2.gz XVHBZMZDPSBIGG-VXGBXAGGSA-N 2 0 249.362 0.741 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657840716 411609857 /nfs/dbraw/zinc/60/98/57/411609857.db2.gz VLRAAQKQJHREQH-UPJWGTAASA-N 2 0 249.362 0.883 20 0 BCADRP C[C@@H](Cn1cncn1)[NH2+][C@@H]1CCCN(C)C1 ZINC000657843768 411610263 /nfs/dbraw/zinc/61/02/63/411610263.db2.gz HHPAJSLUUYNDNM-WDEREUQCSA-N 2 0 223.324 0.350 20 0 BCADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCCO)C2 ZINC000660654084 411613643 /nfs/dbraw/zinc/61/36/43/411613643.db2.gz FQONITGEDPXPIP-GFCCVEGCSA-N 2 0 212.337 0.787 20 0 BCADRP CNC(=O)CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656834 411614256 /nfs/dbraw/zinc/61/42/56/411614256.db2.gz YLRMWJCBZVYUAG-ZDUSSCGKSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000657876348 411614684 /nfs/dbraw/zinc/61/46/84/411614684.db2.gz LLTUXHBFPMUWBX-NEPJUHHUSA-N 2 0 237.351 0.598 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000657876358 411614737 /nfs/dbraw/zinc/61/47/37/411614737.db2.gz LLTUXHBFPMUWBX-VXGBXAGGSA-N 2 0 237.351 0.598 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000131958138 411704736 /nfs/dbraw/zinc/70/47/36/411704736.db2.gz LNHPVWLSHUPMGA-SECBINFHSA-N 2 0 213.325 0.372 20 0 BCADRP CN(C[C@@]12C[C@@H]1C[NH2+]C2)C1CC[NH2+]CC1 ZINC000663495138 411674458 /nfs/dbraw/zinc/67/44/58/411674458.db2.gz NOVKJTYFJAOXIX-PWSUYJOCSA-N 2 0 209.337 0.280 20 0 BCADRP C[C@@H]1CN(C[C@@]23C[C@@H]2C[NH2+]C3)C[C@H](C)[NH2+]1 ZINC000663494627 411674603 /nfs/dbraw/zinc/67/46/03/411674603.db2.gz JSDHTJHLXPFWGT-KXNHARMFSA-N 2 0 209.337 0.278 20 0 BCADRP CC[NH2+]CCNCc1nc2c(s1)C[NH2+]CC2 ZINC000663495287 411674790 /nfs/dbraw/zinc/67/47/90/411674790.db2.gz WUILDTYJJXKTFH-UHFFFAOYSA-N 2 0 240.376 0.488 20 0 BCADRP C[C@H](CC[NH3+])NCc1nc2c(s1)C[NH2+]CC2 ZINC000663495656 411674848 /nfs/dbraw/zinc/67/48/48/411674848.db2.gz ADSIGNZBLFIITK-MRVPVSSYSA-N 2 0 240.376 0.616 20 0 BCADRP [NH3+]C1(CNC[C@]23C[C@H]2C[NH2+]C3)CCCCC1 ZINC000663494551 411675412 /nfs/dbraw/zinc/67/54/12/411675412.db2.gz PGUVKOHSEYMLQS-NWDGAFQWSA-N 2 0 223.364 0.847 20 0 BCADRP C[NH2+]C1CCN(C[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC000663494564 411675424 /nfs/dbraw/zinc/67/54/24/411675424.db2.gz JJKUPPDRPPQXPT-PWSUYJOCSA-N 2 0 209.337 0.280 20 0 BCADRP CN(CC[NH3+])Cc1nc2c(s1)C[NH2+]CC2 ZINC000663496267 411677872 /nfs/dbraw/zinc/67/78/72/411677872.db2.gz FRCVYPFOVZKNKM-UHFFFAOYSA-N 2 0 226.349 0.179 20 0 BCADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccnn1C ZINC000663497786 411678589 /nfs/dbraw/zinc/67/85/89/411678589.db2.gz GJZFIFFARMAPKW-LLVKDONJSA-N 2 0 210.325 0.883 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663500169 411682972 /nfs/dbraw/zinc/68/29/72/411682972.db2.gz YNBRDQGLNLHHAL-MDZLAQPJSA-N 2 0 223.364 0.574 20 0 BCADRP C(N[C@H]1CCCC[NH2+]C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663500206 411683275 /nfs/dbraw/zinc/68/32/75/411683275.db2.gz YXIQRZKLCKXWDH-WOPDTQHZSA-N 2 0 209.337 0.328 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000663500612 411683888 /nfs/dbraw/zinc/68/38/88/411683888.db2.gz LUJYGUAXQFXVIQ-UPOSSJBDSA-N 2 0 209.337 0.598 20 0 BCADRP C([NH2+][C@H]1CCCOCC1)C12CC(C1)C[NH2+]2 ZINC000663499620 411683932 /nfs/dbraw/zinc/68/39/32/411683932.db2.gz ZNGBIRAWVYFKOD-CXQJBGSLSA-N 2 0 210.321 0.897 20 0 BCADRP CC(C)[C@H]([NH3+])CCN[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000663502211 411685941 /nfs/dbraw/zinc/68/59/41/411685941.db2.gz FLXNYSWFMYLICF-QJPTWQEYSA-N 2 0 213.369 0.947 20 0 BCADRP CC[C@H]([NH3+])C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000430698310 411750769 /nfs/dbraw/zinc/75/07/69/411750769.db2.gz NAEYQMSGIPSCPO-JTQLQIEISA-N 2 0 245.286 0.943 20 0 BCADRP CCN(C)C[C@H](O)C[NH2+][C@@H](CO)C1CCC1 ZINC000661151567 411720995 /nfs/dbraw/zinc/72/09/95/411720995.db2.gz DDEOTZJRSBVXGL-NEPJUHHUSA-N 2 0 230.352 0.050 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccnc(N)c1 ZINC000641804349 411890805 /nfs/dbraw/zinc/89/08/05/411890805.db2.gz YVZJNNMJKGGCKI-NXEZZACHSA-N 2 0 220.320 0.879 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000661828719 411894028 /nfs/dbraw/zinc/89/40/28/411894028.db2.gz VPPZRKKGIPEBOL-UTUOFQBUSA-N 2 0 242.363 0.192 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000661828717 411894411 /nfs/dbraw/zinc/89/44/11/411894411.db2.gz VPPZRKKGIPEBOL-GRYCIOLGSA-N 2 0 242.363 0.192 20 0 BCADRP C[C@H](CCNc1cc[nH+]cc1C(N)=O)[NH+](C)C ZINC000664243382 411895125 /nfs/dbraw/zinc/89/51/25/411895125.db2.gz FKKOEYFDVXJPSJ-SECBINFHSA-N 2 0 236.319 0.355 20 0 BCADRP CN(CC[NH+](C)C)c1nc(N)[nH+]c2c1CCCC2 ZINC000645182658 411909729 /nfs/dbraw/zinc/90/97/29/411909729.db2.gz MQKVBDZZDOPCLB-UHFFFAOYSA-N 2 0 249.362 0.935 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+]Cc1cnc(N)s1 ZINC000580194560 411916558 /nfs/dbraw/zinc/91/65/58/411916558.db2.gz SZMTXSRVBCVHDF-SSDOTTSWSA-N 2 0 214.338 0.942 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccnc(N)c2)C1 ZINC000567471940 411919450 /nfs/dbraw/zinc/91/94/50/411919450.db2.gz BGIMOSNHGBPREL-ONGXEEELSA-N 2 0 220.320 0.833 20 0 BCADRP C[C@H]([NH3+])[C@H](C)Nc1cc(-n2cccn2)nc(N)n1 ZINC000420260825 411919803 /nfs/dbraw/zinc/91/98/03/411919803.db2.gz JSKROVOHDCVBKA-YUMQZZPRSA-N 2 0 247.306 0.392 20 0 BCADRP C[C@@H](C[NH3+])C[NH2+]Cc1cnc(N)s1 ZINC000516570453 411875614 /nfs/dbraw/zinc/87/56/14/411875614.db2.gz RJUCJMMJTVTGDV-LURJTMIESA-N 2 0 200.311 0.410 20 0 BCADRP C[N@H+](CCOCC[NH3+])Cc1cnc(N)s1 ZINC000629665701 411875635 /nfs/dbraw/zinc/87/56/35/411875635.db2.gz OCOMPFWAZDGRLC-UHFFFAOYSA-N 2 0 230.337 0.132 20 0 BCADRP C[N@H+](Cc1ccnc(N)c1)CC(C)(C)C[NH3+] ZINC000420298306 411880746 /nfs/dbraw/zinc/88/07/46/411880746.db2.gz ZVLNJGKAVMCVOB-UHFFFAOYSA-N 2 0 222.336 1.081 20 0 BCADRP C[C@@H](C[NH+](C)C)Nc1nc(N)[nH+]c2c1CCCC2 ZINC000645244326 411881420 /nfs/dbraw/zinc/88/14/20/411881420.db2.gz TXABVFZJDRDESG-VIFPVBQESA-N 2 0 249.362 0.722 20 0 BCADRP Nc1ncc(C[NH2+]CCCC[NH3+])s1 ZINC000564973375 411976627 /nfs/dbraw/zinc/97/66/27/411976627.db2.gz CKJYHGAGNHZGNG-UHFFFAOYSA-N 2 0 200.311 0.554 20 0 BCADRP Nc1ncc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)s1 ZINC000563136250 411976649 /nfs/dbraw/zinc/97/66/49/411976649.db2.gz VFXBDOMPDLYURA-JGVFFNPUSA-N 2 0 226.349 0.942 20 0 BCADRP Nc1ccc(C[NH2+]CCOCCC[NH3+])cn1 ZINC000629660827 411976884 /nfs/dbraw/zinc/97/68/84/411976884.db2.gz ZVUIPHSUOFTGIZ-UHFFFAOYSA-N 2 0 224.308 0.119 20 0 BCADRP Nc1nc(N[C@@H]2CC[NH2+]C2)c2c([nH+]1)CCCC2 ZINC000630546973 411979600 /nfs/dbraw/zinc/97/96/00/411979600.db2.gz BAKXQXBAUWAGOV-MRVPVSSYSA-N 2 0 233.319 0.133 20 0 BCADRP CCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153616 412008618 /nfs/dbraw/zinc/00/86/18/412008618.db2.gz ASCOIGAUIVVIDP-GFCCVEGCSA-N 2 0 212.337 0.927 20 0 BCADRP CCC[N@H+](C)CC(C)(C)NC(=O)C[C@@H](C)[NH3+] ZINC000664719868 412014744 /nfs/dbraw/zinc/01/47/44/412014744.db2.gz GPIANRCFAYQLMD-SNVBAGLBSA-N 2 0 229.368 0.960 20 0 BCADRP CCC[N@H+](C)CC(C)(C)NC(=O)C[NH2+]C ZINC000664720259 412014927 /nfs/dbraw/zinc/01/49/27/412014927.db2.gz JORYNTLBDBLOHP-UHFFFAOYSA-N 2 0 215.341 0.442 20 0 BCADRP Nc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cn1 ZINC000647546902 411958266 /nfs/dbraw/zinc/95/82/66/411958266.db2.gz GXUFFDLBJBRRMJ-LLVKDONJSA-N 2 0 220.320 0.896 20 0 BCADRP Cc1nnc([C@@H](C)N2CCC(C[NH3+])CC2)[nH]1 ZINC000662235567 412033615 /nfs/dbraw/zinc/03/36/15/412033615.db2.gz RHLDFCSXGYHMLL-MRVPVSSYSA-N 2 0 223.324 0.845 20 0 BCADRP Cc1nnc([C@H](C)N2CCC(C[NH3+])CC2)[nH]1 ZINC000662235572 412035848 /nfs/dbraw/zinc/03/58/48/412035848.db2.gz RHLDFCSXGYHMLL-QMMMGPOBSA-N 2 0 223.324 0.845 20 0 BCADRP C[NH2+]C[C@H]1CCCN([C@H]2CCCN(C)C2=O)C1 ZINC000662236130 412035990 /nfs/dbraw/zinc/03/59/90/412035990.db2.gz CTOBERMAZZOJAD-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP COC[C@@H](C[N@H+](C)CC[C@H]([NH3+])C(C)C)OC ZINC000662247338 412044911 /nfs/dbraw/zinc/04/49/11/412044911.db2.gz FYIDGFZNOWFFGG-NEPJUHHUSA-N 2 0 232.368 0.953 20 0 BCADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662247873 412045239 /nfs/dbraw/zinc/04/52/39/412045239.db2.gz NNGIJSGLGCVFLL-RYUDHWBXSA-N 3 0 241.379 0.470 20 0 BCADRP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)CC(C)(C)C[NH3+] ZINC000662248113 412047606 /nfs/dbraw/zinc/04/76/06/412047606.db2.gz UBMPHNYTDVGOHM-LLVKDONJSA-N 3 0 241.379 0.424 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C[C@@H]1C[NH2+]CCO1 ZINC000662248212 412047637 /nfs/dbraw/zinc/04/76/37/412047637.db2.gz WECZRLIOGLBJKE-RYUDHWBXSA-N 2 0 229.368 0.280 20 0 BCADRP C[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255085 412048930 /nfs/dbraw/zinc/04/89/30/412048930.db2.gz OGBBCQBRIRIMII-GHMZBOCLSA-N 2 0 210.321 0.992 20 0 BCADRP COC[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255079 412049326 /nfs/dbraw/zinc/04/93/26/412049326.db2.gz OFXHTDIAXWOQQN-NEPJUHHUSA-N 2 0 240.347 0.476 20 0 BCADRP C[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254625 412049560 /nfs/dbraw/zinc/04/95/60/412049560.db2.gz QVVOCDWDHYXCID-MNOVXSKESA-N 2 0 210.321 0.849 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCCO1 ZINC000662255259 412051457 /nfs/dbraw/zinc/05/14/57/412051457.db2.gz BOCLAASHNSJMQA-VXGBXAGGSA-N 2 0 240.347 0.618 20 0 BCADRP CCCN(C[C@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000662262969 412053306 /nfs/dbraw/zinc/05/33/06/412053306.db2.gz JHYBAJFGQQRVQS-CYBMUJFWSA-N 3 0 241.379 0.439 20 0 BCADRP C[N@@H+](Cc1cn[nH]c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662265799 412058296 /nfs/dbraw/zinc/05/82/96/412058296.db2.gz ZLKVWCLVMPSHID-NSHDSACASA-N 2 0 236.319 0.363 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H](C)[NH3+] ZINC000370767544 171099097 /nfs/dbraw/zinc/09/90/97/171099097.db2.gz VBWBZBCTJAYUKF-QJPTWQEYSA-N 2 0 239.363 0.809 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000353131058 171146041 /nfs/dbraw/zinc/14/60/41/171146041.db2.gz PZIKRHCNCBMBQR-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000353463444 171146088 /nfs/dbraw/zinc/14/60/88/171146088.db2.gz VMENRIMTCXETGB-UWVGGRQHSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000353423472 171146522 /nfs/dbraw/zinc/14/65/22/171146522.db2.gz DYBRMNKVLSRHAN-AXFHLTTASA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000353138426 171147697 /nfs/dbraw/zinc/14/76/97/171147697.db2.gz CNWZQPSSORXRQG-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000353459219 171148457 /nfs/dbraw/zinc/14/84/57/171148457.db2.gz LKWPVYADAUQHIV-RHYQMDGZSA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000353159893 171148784 /nfs/dbraw/zinc/14/87/84/171148784.db2.gz CWXQXJSUBMCRQK-UTUOFQBUSA-N 2 0 241.379 0.864 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000353190507 171149775 /nfs/dbraw/zinc/14/97/75/171149775.db2.gz ODIMCHNIARBEDF-MDZLAQPJSA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@@]1(C(=O)N[C@@H](C)CC[NH3+])CCC[NH2+]1 ZINC000336734270 171195915 /nfs/dbraw/zinc/19/59/15/171195915.db2.gz HENSIQPILJTQRV-ONGXEEELSA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@@]1(C(=O)NCC2=CC[NH2+]CC2)CC[NH2+]C1 ZINC000364206047 171195992 /nfs/dbraw/zinc/19/59/92/171195992.db2.gz LPQMFIIKCIXQIT-CYBMUJFWSA-N 2 0 237.347 0.412 20 0 BCADRP CC[C@H](C(=O)N(C)[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000361091083 171221800 /nfs/dbraw/zinc/22/18/00/171221800.db2.gz IYNJUDDDWMRXBX-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)[NH+](C)C ZINC000373041639 171225987 /nfs/dbraw/zinc/22/59/87/171225987.db2.gz HFASKCNARXKUBC-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH2+]CCCN(C)Cc1cc(C)ncn1 ZINC000662281846 412073510 /nfs/dbraw/zinc/07/35/10/412073510.db2.gz QAFWDKSXNZWBEC-UHFFFAOYSA-N 2 0 208.309 0.826 20 0 BCADRP OCC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662282902 412074283 /nfs/dbraw/zinc/07/42/83/412074283.db2.gz DFLKWGQMWMCIKP-GFCCVEGCSA-N 2 0 240.347 0.212 20 0 BCADRP CC[C@H](C(N)=O)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200502 171243492 /nfs/dbraw/zinc/24/34/92/171243492.db2.gz OEVHKTMRYSQRHS-NWDGAFQWSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228545225 171244318 /nfs/dbraw/zinc/24/43/18/171244318.db2.gz PIFDNISZUWOLLE-LNFKQOIKSA-N 2 0 225.336 0.310 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251249976 171245472 /nfs/dbraw/zinc/24/54/72/171245472.db2.gz VMHLYPMSNLJYHU-LPEHRKFASA-N 2 0 213.325 0.310 20 0 BCADRP CC[C@H](C)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000037173269 171272919 /nfs/dbraw/zinc/27/29/19/171272919.db2.gz WIHWHIUXXVMMAL-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP COC[C@H](C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)OC ZINC000662284201 412075583 /nfs/dbraw/zinc/07/55/83/412075583.db2.gz GATFSVOTRIGTND-AVGNSLFASA-N 2 0 242.363 0.709 20 0 BCADRP C[C@H](CO)[C@@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000662300784 412085766 /nfs/dbraw/zinc/08/57/66/412085766.db2.gz JOGMMXWECHYYKH-NEPJUHHUSA-N 2 0 230.352 0.445 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000248969667 171305624 /nfs/dbraw/zinc/30/56/24/171305624.db2.gz DAWQYIOGZSYFEG-HBNTYKKESA-N 2 0 229.368 0.816 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000248969666 171306206 /nfs/dbraw/zinc/30/62/06/171306206.db2.gz DAWQYIOGZSYFEG-DCAQKATOSA-N 2 0 229.368 0.816 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000246564656 171306627 /nfs/dbraw/zinc/30/66/27/171306627.db2.gz UOOUDDNTGMASSD-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C[NH2+]C ZINC000226396682 171307054 /nfs/dbraw/zinc/30/70/54/171307054.db2.gz FBNZSNCVCFUJBT-VIFPVBQESA-N 2 0 201.314 0.052 20 0 BCADRP CC[C@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000077304754 171319787 /nfs/dbraw/zinc/31/97/87/171319787.db2.gz NJOQADPZXQXZSN-RYUDHWBXSA-N 2 0 211.353 0.764 20 0 BCADRP OCC1([NH2+]CCc2cccnc2)CC[NH2+]CC1 ZINC000662285957 412078383 /nfs/dbraw/zinc/07/83/83/412078383.db2.gz BZJGLKWJIRIRGG-UHFFFAOYSA-N 2 0 235.331 0.328 20 0 BCADRP C[C@@H]1CCC[N@H+](C[C@@H]2CNCCO2)[C@H]1CC[NH3+] ZINC000662286624 412078464 /nfs/dbraw/zinc/07/84/64/412078464.db2.gz SMBWFADGKKPOLA-AGIUHOORSA-N 2 0 241.379 0.424 20 0 BCADRP c1cn(C[C@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)nn1 ZINC000662294339 412081150 /nfs/dbraw/zinc/08/11/50/412081150.db2.gz ASADYMGSPUSFTL-STQMWFEESA-N 2 0 249.362 0.600 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CC[NH+](C)CC1 ZINC000037267570 171369517 /nfs/dbraw/zinc/36/95/17/171369517.db2.gz VFNJVGBUVYPZET-GXSJLCMTSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC000041679579 171371459 /nfs/dbraw/zinc/37/14/59/171371459.db2.gz JXLLGZBFHVEUFR-WDEREUQCSA-N 2 0 229.368 0.818 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000226399483 171371740 /nfs/dbraw/zinc/37/17/40/171371740.db2.gz PVXFZGHFFQRGIC-HOSYDEDBSA-N 2 0 241.379 0.959 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC000036192234 171393979 /nfs/dbraw/zinc/39/39/79/171393979.db2.gz SDFARXHROFNTKZ-JQWIXIFHSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000309404701 171394173 /nfs/dbraw/zinc/39/41/73/171394173.db2.gz HWKRLHGCGVHGSA-JLIMGVALSA-N 2 0 213.325 0.308 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812620 171394756 /nfs/dbraw/zinc/39/47/56/171394756.db2.gz MIRHUBURNMQKPO-TUAOUCFPSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000054133403 171395154 /nfs/dbraw/zinc/39/51/54/171395154.db2.gz UONFLPAJNFMHRA-QWRGUYRKSA-N 2 0 229.368 0.816 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237032510 171395606 /nfs/dbraw/zinc/39/56/06/171395606.db2.gz YNMRECXAUZJGNW-TUAOUCFPSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000040503492 171396828 /nfs/dbraw/zinc/39/68/28/171396828.db2.gz SRCSQMGRXBSMRJ-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]CC12CC(C1)C[N@@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000662306246 412091250 /nfs/dbraw/zinc/09/12/50/412091250.db2.gz PPVTUFQRXJGJPB-UNXYVOJBSA-N 3 0 209.337 0.409 20 0 BCADRP C[C@]12COC[C@H]1C[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000662311483 412091600 /nfs/dbraw/zinc/09/16/00/412091600.db2.gz SSNQIYHEVOJCFI-UTUOFQBUSA-N 2 0 210.321 0.564 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662389958 412141578 /nfs/dbraw/zinc/14/15/78/412141578.db2.gz ZAWGQYUMEWYKAL-LLVKDONJSA-N 2 0 245.326 0.853 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000662390116 412141592 /nfs/dbraw/zinc/14/15/92/412141592.db2.gz IBDKYBYFDNYUHY-WOPDTQHZSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1CC[N@H+](CCOCC[NH3+])C[C@H](C)O1 ZINC000662312160 412094061 /nfs/dbraw/zinc/09/40/61/412094061.db2.gz HCFPEPMUPSDUMJ-MNOVXSKESA-N 2 0 216.325 0.461 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000662390112 412141908 /nfs/dbraw/zinc/14/19/08/412141908.db2.gz IBDKYBYFDNYUHY-TUAOUCFPSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H](O)CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322945 412099951 /nfs/dbraw/zinc/09/99/51/412099951.db2.gz JWOJEBBNQJSAPO-CHWSQXEVSA-N 2 0 244.379 0.800 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CC1(C)C ZINC000662330827 412104633 /nfs/dbraw/zinc/10/46/33/412104633.db2.gz ILUNCFJNHNAQRU-GFCCVEGCSA-N 2 0 225.380 0.870 20 0 BCADRP C[N@H+](CCOCC[NH3+])CC1=CCSC1 ZINC000662326812 412104819 /nfs/dbraw/zinc/10/48/19/412104819.db2.gz CPPMHCUIXGELOI-UHFFFAOYSA-N 2 0 216.350 0.567 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)C[C@@H]1CC1(C)C ZINC000662332458 412106372 /nfs/dbraw/zinc/10/63/72/412106372.db2.gz WDQNDNVLTIOYIX-CMPLNLGQSA-N 2 0 214.353 0.935 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662392365 412143308 /nfs/dbraw/zinc/14/33/08/412143308.db2.gz TXXKXRBHUZISMV-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC1CC[NH+](CC)CC1 ZINC000662364851 412125469 /nfs/dbraw/zinc/12/54/69/412125469.db2.gz LPMQWVVDJQJPEJ-LLVKDONJSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CO)C1CCC1 ZINC000665235522 412175202 /nfs/dbraw/zinc/17/52/02/412175202.db2.gz WYYUMESUWRYNRO-QXEWZRGKSA-N 2 0 200.326 0.863 20 0 BCADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000665236386 412176639 /nfs/dbraw/zinc/17/66/39/412176639.db2.gz LTIUUIYYBSGKCL-BJDJZHNGSA-N 2 0 228.336 0.507 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000662447458 412177525 /nfs/dbraw/zinc/17/75/25/412177525.db2.gz WJOAYGAWVJYMAE-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000662451115 412179754 /nfs/dbraw/zinc/17/97/54/412179754.db2.gz ZSIZFHQQNPMAIS-SRVKXCTJSA-N 2 0 241.379 0.973 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000662450913 412180300 /nfs/dbraw/zinc/18/03/00/412180300.db2.gz FLZWTPUXXBEIAS-VXGBXAGGSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662557521 412215897 /nfs/dbraw/zinc/21/58/97/412215897.db2.gz IOUCLHKNHGQKRB-ZNSHCXBVSA-N 2 0 225.336 0.228 20 0 BCADRP OC/C=C/C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000665239594 412181010 /nfs/dbraw/zinc/18/10/10/412181010.db2.gz VEZHHGUWECJEAD-MMXMKZJCSA-N 2 0 210.321 0.513 20 0 BCADRP CO[C@@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665244155 412187590 /nfs/dbraw/zinc/18/75/90/412187590.db2.gz HKHBKFNIGOXOLO-WUHRBBMRSA-N 2 0 242.363 0.768 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000662474290 412188014 /nfs/dbraw/zinc/18/80/14/412188014.db2.gz XEBQWHWMWVYXOU-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000662553661 412214957 /nfs/dbraw/zinc/21/49/57/412214957.db2.gz JUTSQUMAIZQGCA-UTLUCORTSA-N 2 0 213.325 0.099 20 0 BCADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000665273830 412214996 /nfs/dbraw/zinc/21/49/96/412214996.db2.gz FAEQFKDZLLQCQM-DCAQKATOSA-N 2 0 225.336 0.515 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000662498168 412196485 /nfs/dbraw/zinc/19/64/85/412196485.db2.gz PBBITJRCSBZPCK-ZMLRMANQSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000662515343 412201578 /nfs/dbraw/zinc/20/15/78/412201578.db2.gz MSCYQTZDPURFSA-AXFHLTTASA-N 2 0 225.336 0.337 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000662514205 412201688 /nfs/dbraw/zinc/20/16/88/412201688.db2.gz LJXDCVRYHFEJIE-BBBLOLIVSA-N 2 0 213.325 0.193 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662514287 412201854 /nfs/dbraw/zinc/20/18/54/412201854.db2.gz JBJSTBVSXJFSNN-DMDPSCGWSA-N 2 0 237.347 0.326 20 0 BCADRP CC[C@@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000665261943 412203296 /nfs/dbraw/zinc/20/32/96/412203296.db2.gz OYZDQUKMLXHTTE-DDHJBXDOSA-N 2 0 212.337 0.735 20 0 BCADRP CC[C@@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000665261945 412204722 /nfs/dbraw/zinc/20/47/22/412204722.db2.gz OYZDQUKMLXHTTE-NNYUYHANSA-N 2 0 212.337 0.735 20 0 BCADRP CC[C@@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000665261944 412204859 /nfs/dbraw/zinc/20/48/59/412204859.db2.gz OYZDQUKMLXHTTE-IRCOFANPSA-N 2 0 212.337 0.735 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000662527955 412205748 /nfs/dbraw/zinc/20/57/48/412205748.db2.gz HNKVLAHIFKZSFD-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000662527956 412206041 /nfs/dbraw/zinc/20/60/41/412206041.db2.gz HNKVLAHIFKZSFD-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000662533981 412206764 /nfs/dbraw/zinc/20/67/64/412206764.db2.gz YWYFDODMBJADOM-LBPRGKRZSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000662533980 412207225 /nfs/dbraw/zinc/20/72/25/412207225.db2.gz YWYFDODMBJADOM-GFCCVEGCSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000662539668 412209149 /nfs/dbraw/zinc/20/91/49/412209149.db2.gz HBKWPWNDDNTXHU-UTLUCORTSA-N 2 0 225.336 0.336 20 0 BCADRP CC(C)[NH2+]CC(=O)N(CC[NH+](C)C)C1CC1 ZINC000662542986 412209893 /nfs/dbraw/zinc/20/98/93/412209893.db2.gz UEMZEKWDMFHZQL-UHFFFAOYSA-N 2 0 227.352 0.537 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662541768 412209902 /nfs/dbraw/zinc/20/99/02/412209902.db2.gz ISYUDVYBFKVGRG-TUAOUCFPSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662548119 412211447 /nfs/dbraw/zinc/21/14/47/412211447.db2.gz BKGDVQIISKAONL-SECBINFHSA-N 2 0 233.315 0.614 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662549111 412212356 /nfs/dbraw/zinc/21/23/56/412212356.db2.gz KWACLBOGTBGCEE-DBIOUOCHSA-N 2 0 225.336 0.310 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H](CC)[NH2+]C ZINC000662550775 412213209 /nfs/dbraw/zinc/21/32/09/412213209.db2.gz QCXRWBAPDYADEI-VIFPVBQESA-N 2 0 201.314 0.100 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000662395116 412144376 /nfs/dbraw/zinc/14/43/76/412144376.db2.gz JFEBRBAXNNSWEY-ZJUUUORDSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000662393976 412145001 /nfs/dbraw/zinc/14/50/01/412145001.db2.gz ZGZDBISOMQOYIR-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000662396152 412145863 /nfs/dbraw/zinc/14/58/63/412145863.db2.gz SXFRWIMDEOFANK-LLVKDONJSA-N 2 0 239.363 0.572 20 0 BCADRP CC[NH2+]Cc1cccc(NC(=O)C2(O)C[NH2+]C2)c1 ZINC000662398887 412147381 /nfs/dbraw/zinc/14/73/81/412147381.db2.gz KJWNJVVLCUWFGO-UHFFFAOYSA-N 2 0 249.314 0.069 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000662397466 412147865 /nfs/dbraw/zinc/14/78/65/412147865.db2.gz FAOUMXDWLWXICG-KXUCPTDWSA-N 2 0 213.325 0.323 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000662401577 412148887 /nfs/dbraw/zinc/14/88/87/412148887.db2.gz WZQCIMNSCJMVLO-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000662402543 412149209 /nfs/dbraw/zinc/14/92/09/412149209.db2.gz BPDYTGCOIPKNNT-NAKRPEOUSA-N 2 0 225.336 0.228 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000662404203 412150391 /nfs/dbraw/zinc/15/03/91/412150391.db2.gz QVHVITVVPKBLQF-TUAOUCFPSA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH2+]CCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662409275 412154873 /nfs/dbraw/zinc/15/48/73/412154873.db2.gz JRXYUPMLCZSVMQ-UHFFFAOYSA-N 2 0 233.315 0.629 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000662415624 412157069 /nfs/dbraw/zinc/15/70/69/412157069.db2.gz IJIQFDKEDFJMCH-AEJSXWLSSA-N 2 0 213.325 0.193 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662414963 412157184 /nfs/dbraw/zinc/15/71/84/412157184.db2.gz JURHETVKIGSJHN-XYPYZODXSA-N 2 0 225.336 0.182 20 0 BCADRP CCCN(C(=O)[C@@H](CC)[NH2+]C)[C@@H]1CC[NH2+]C1 ZINC000662414392 412157463 /nfs/dbraw/zinc/15/74/63/412157463.db2.gz YVMYCLJGJRYOPN-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000662413881 412157574 /nfs/dbraw/zinc/15/75/74/412157574.db2.gz RWOAWDAHQOHCJH-GFCCVEGCSA-N 2 0 235.331 0.801 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000662416367 412157909 /nfs/dbraw/zinc/15/79/09/412157909.db2.gz CHNHZJMGQAYRRR-UTLUCORTSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000662416908 412158092 /nfs/dbraw/zinc/15/80/92/412158092.db2.gz JQSRCUPKVPZNGX-JTQLQIEISA-N 2 0 243.351 0.126 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCC2(C)C)CC[C@H]1[NH3+] ZINC000662416572 412158116 /nfs/dbraw/zinc/15/81/16/412158116.db2.gz DBXOQAXETPLTNS-GMTAPVOTSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662417147 412158249 /nfs/dbraw/zinc/15/82/49/412158249.db2.gz IKAYVSHZALVLEX-OPRDCNLKSA-N 2 0 213.325 0.213 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662417143 412158404 /nfs/dbraw/zinc/15/84/04/412158404.db2.gz IKAYVSHZALVLEX-GUBZILKMSA-N 2 0 213.325 0.213 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000662417142 412158467 /nfs/dbraw/zinc/15/84/67/412158467.db2.gz NCSBPQSNPNTXLG-ONGXEEELSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]C[C@H](NC(=O)CC1([NH3+])CC1)C1CCCCC1 ZINC000662417639 412158637 /nfs/dbraw/zinc/15/86/37/412158637.db2.gz MQXSNEGTVJIWRH-NSHDSACASA-N 2 0 239.363 0.892 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCNc2cnccn2)CC[N@@H+]1C ZINC000361980187 412159174 /nfs/dbraw/zinc/15/91/74/412159174.db2.gz HZBRUZUAGDHFTP-VXGBXAGGSA-N 2 0 249.362 0.961 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[C@@H]1[NH3+] ZINC000662418128 412159525 /nfs/dbraw/zinc/15/95/25/412159525.db2.gz PKIDOFOZMSNZFF-VLEAKVRGSA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)C1CCCCC1 ZINC000662418329 412159811 /nfs/dbraw/zinc/15/98/11/412159811.db2.gz RVLSCPCEYNXYMT-IJLUTSLNSA-N 2 0 239.363 0.748 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000662418866 412160627 /nfs/dbraw/zinc/16/06/27/412160627.db2.gz XPQLXIWRPZAXMN-ZJUUUORDSA-N 2 0 215.341 0.474 20 0 BCADRP O=C1CC[C@@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)N1 ZINC000665272952 412213894 /nfs/dbraw/zinc/21/38/94/412213894.db2.gz NVRVMNIEUKZGSD-KXNHARMFSA-N 2 0 237.347 0.243 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662423971 412162391 /nfs/dbraw/zinc/16/23/91/412162391.db2.gz RHWOSYLGUFZZML-QXEWZRGKSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H]1C[NH3+] ZINC000662422355 412162618 /nfs/dbraw/zinc/16/26/18/412162618.db2.gz ICYDJIOGGXLLGD-GWOFURMSSA-N 2 0 225.336 0.310 20 0 BCADRP CO[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])[C@@H]1CCOC1 ZINC000665234626 412163249 /nfs/dbraw/zinc/16/32/49/412163249.db2.gz HLPALJMVDUVXLH-DDHJBXDOSA-N 2 0 230.352 0.753 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000662423998 412163989 /nfs/dbraw/zinc/16/39/89/412163989.db2.gz SBYTUKXWRCNALV-OUAUKWLOSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000662424063 412164085 /nfs/dbraw/zinc/16/40/85/412164085.db2.gz SLNFGXDSHLVGFM-PWSUYJOCSA-N 2 0 229.368 0.864 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662427180 412165611 /nfs/dbraw/zinc/16/56/11/412165611.db2.gz KYJQLWXEEUVZDD-KYZUINATSA-N 2 0 213.325 0.167 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000662428311 412167416 /nfs/dbraw/zinc/16/74/16/412167416.db2.gz YAHDNZGCFUWKTH-VIFPVBQESA-N 2 0 215.341 0.428 20 0 BCADRP CN1CCN(C(=O)C2CC3(CC3)C2)[C@@H](C[NH3+])C1 ZINC000662427735 412167489 /nfs/dbraw/zinc/16/74/89/412167489.db2.gz BTRZHRVEAOKTOU-NSHDSACASA-N 2 0 237.347 0.278 20 0 BCADRP CN1CCOC[C@@H]1CNc1ncnc2[nH]ccc21 ZINC000624620240 412254941 /nfs/dbraw/zinc/25/49/41/412254941.db2.gz ZDXAPTRJXDLGHW-VIFPVBQESA-N 2 0 247.302 0.700 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CCCC1 ZINC000662647651 412255199 /nfs/dbraw/zinc/25/51/99/412255199.db2.gz BOZMXTULBOKFOC-PWSUYJOCSA-N 2 0 237.347 0.374 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC1([NH3+])CCCC1 ZINC000662648809 412256132 /nfs/dbraw/zinc/25/61/32/412256132.db2.gz KEFHRVJUUPRXLA-SECBINFHSA-N 2 0 213.325 0.502 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000662649441 412256708 /nfs/dbraw/zinc/25/67/08/412256708.db2.gz POVKZEWZHXPONM-VIFPVBQESA-N 2 0 213.325 0.357 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662662280 412262355 /nfs/dbraw/zinc/26/23/55/412262355.db2.gz PAILJYMFSGIGKQ-LLVKDONJSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662676265 412267231 /nfs/dbraw/zinc/26/72/31/412267231.db2.gz UIEHECAMUZMCKL-CKBZRRDASA-N 2 0 225.336 0.454 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC2CC1(C[NH3+])C2)[C@H](C)[NH3+] ZINC000662683937 412269802 /nfs/dbraw/zinc/26/98/02/412269802.db2.gz XMKGQOIEVQPICE-MSLYCWSTSA-N 2 0 239.363 0.556 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662684648 412270557 /nfs/dbraw/zinc/27/05/57/412270557.db2.gz YMMWNXOLUVTFNH-VDTJRNOFSA-N 2 0 249.358 0.467 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000662687723 412270948 /nfs/dbraw/zinc/27/09/48/412270948.db2.gz JFZLOWMIPFGCCU-SRVKXCTJSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000662701078 412275427 /nfs/dbraw/zinc/27/54/27/412275427.db2.gz MRXPJGIKVTWZPP-VWYCJHECSA-N 2 0 227.352 0.570 20 0 BCADRP COc1ccncc1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662700019 412275502 /nfs/dbraw/zinc/27/55/02/412275502.db2.gz FUUBSCGGRATLOI-ZKCHVHJHSA-N 2 0 221.260 0.766 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH2+]C)C1 ZINC000662704215 412276823 /nfs/dbraw/zinc/27/68/23/412276823.db2.gz WRMDXHLUVHFRIH-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662730499 412280392 /nfs/dbraw/zinc/28/03/92/412280392.db2.gz HDJYYNCJJKJVNH-VHSXEESVSA-N 2 0 215.341 0.332 20 0 BCADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000662714604 412280982 /nfs/dbraw/zinc/28/09/82/412280982.db2.gz JKKGBQVMCIEHJO-QGPNDVEFSA-N 2 0 249.358 0.244 20 0 BCADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662714224 412281068 /nfs/dbraw/zinc/28/10/68/412281068.db2.gz BSPJGUMARKQUTC-XDEUPMGRSA-N 2 0 249.358 0.385 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662721474 412283433 /nfs/dbraw/zinc/28/34/33/412283433.db2.gz WXZXXCZDJLXEHV-UHFFFAOYSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)c1ccc(C[NH3+])o1 ZINC000662730266 412285117 /nfs/dbraw/zinc/28/51/17/412285117.db2.gz AWRSNNQJILYGMW-SNVBAGLBSA-N 2 0 239.319 0.842 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662731951 412286553 /nfs/dbraw/zinc/28/65/53/412286553.db2.gz METOWGKFUPMYRF-DTWKUNHWSA-N 2 0 201.314 0.084 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000662730490 412286617 /nfs/dbraw/zinc/28/66/17/412286617.db2.gz GXKSFJNQRVLKKE-KXUCPTDWSA-N 2 0 215.341 0.459 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000662731086 412287026 /nfs/dbraw/zinc/28/70/26/412287026.db2.gz XVZFYYJJQFFYOU-WZRBSPASSA-N 2 0 239.363 0.476 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000662731156 412287174 /nfs/dbraw/zinc/28/71/74/412287174.db2.gz YVXNDJIIZWQBIL-GHMZBOCLSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000662556881 412216080 /nfs/dbraw/zinc/21/60/80/412216080.db2.gz WUCYTEUUAVGHDF-NXEZZACHSA-N 2 0 213.325 0.371 20 0 BCADRP CC[C@@H]1CN(C(=O)C[NH2+]C(C)C)CC[C@H]1[NH3+] ZINC000662558058 412216705 /nfs/dbraw/zinc/21/67/05/412216705.db2.gz SLOBDDSENGXWLC-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]([NH3+])CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662558469 412217786 /nfs/dbraw/zinc/21/77/86/412217786.db2.gz FZDJQBIMSUPGLP-CABZTGNLSA-N 2 0 233.315 0.684 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](C)[NH3+] ZINC000662559144 412218121 /nfs/dbraw/zinc/21/81/21/412218121.db2.gz SKTBCZMMSVGXIO-ZJUUUORDSA-N 2 0 215.341 0.461 20 0 BCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C[NH2+]C ZINC000237031891 171607168 /nfs/dbraw/zinc/60/71/68/171607168.db2.gz VJWBCGUERNZPQK-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000662560316 412218732 /nfs/dbraw/zinc/21/87/32/412218732.db2.gz IFUUJPHLQOXEMC-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CCS(=O)(=O)C1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000665275878 412219922 /nfs/dbraw/zinc/21/99/22/412219922.db2.gz UYGJARBJCKDYLZ-ZJUUUORDSA-N 2 0 248.392 0.669 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662564736 412220219 /nfs/dbraw/zinc/22/02/19/412220219.db2.gz VKHJDGIIDSSIBW-MXWKQRLJSA-N 2 0 227.352 0.748 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000662569544 412223778 /nfs/dbraw/zinc/22/37/78/412223778.db2.gz SBAUSIGOTQZDRD-GRYCIOLGSA-N 2 0 239.363 0.762 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000662576363 412223907 /nfs/dbraw/zinc/22/39/07/412223907.db2.gz ZOIDYLKGEQTSNH-CKYFFXLPSA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000662570851 412224043 /nfs/dbraw/zinc/22/40/43/412224043.db2.gz IRWFZAFXHOVEMF-JTQLQIEISA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000662570009 412224061 /nfs/dbraw/zinc/22/40/61/412224061.db2.gz FFWFRCUZXWLUDK-ZJUUUORDSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000662572720 412224648 /nfs/dbraw/zinc/22/46/48/412224648.db2.gz CMODFMRULIOMJA-QWRGUYRKSA-N 2 0 227.352 0.428 20 0 BCADRP [NH3+][C@H]1CCCCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665279961 412224877 /nfs/dbraw/zinc/22/48/77/412224877.db2.gz QFDSAIZZPJHHBU-ZFQMDJOTSA-N 2 0 223.364 0.988 20 0 BCADRP CC[C@H](NCC12CC(C1)C[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000665280158 412225351 /nfs/dbraw/zinc/22/53/51/412225351.db2.gz URACJDRLDRHERG-ZFQMDJOTSA-N 2 0 223.364 0.859 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000662575962 412225849 /nfs/dbraw/zinc/22/58/49/412225849.db2.gz XMFXIBIIQSVHQU-KXUCPTDWSA-N 2 0 213.325 0.038 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000662579539 412227697 /nfs/dbraw/zinc/22/76/97/412227697.db2.gz XJGHNJAECHWVDR-JTQLQIEISA-N 2 0 225.336 0.339 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C)Cc1c[nH]cn1 ZINC000662584335 412228431 /nfs/dbraw/zinc/22/84/31/412228431.db2.gz AFEFUBWZLOURJG-VIFPVBQESA-N 2 0 224.308 0.756 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C)Cc1c[nH]cn1 ZINC000662584503 412229197 /nfs/dbraw/zinc/22/91/97/412229197.db2.gz BPZQDMJIUVNSSG-SECBINFHSA-N 2 0 210.281 0.366 20 0 BCADRP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)C1CC1 ZINC000665288971 412233960 /nfs/dbraw/zinc/23/39/60/412233960.db2.gz BZIACDCWVVLIPM-ZETCQYMHSA-N 2 0 222.292 0.529 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662593622 412234224 /nfs/dbraw/zinc/23/42/24/412234224.db2.gz PQACUYZOGJMESC-WDEREUQCSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)CC(C)(C)[NH3+] ZINC000662603321 412236601 /nfs/dbraw/zinc/23/66/01/412236601.db2.gz WUMHLHLENGCMEV-UHFFFAOYSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662606068 412237506 /nfs/dbraw/zinc/23/75/06/412237506.db2.gz XWGFJAARPUNLLA-HTQZYQBOSA-N 2 0 201.314 0.165 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)CC(C)(C)[NH3+] ZINC000662609475 412239713 /nfs/dbraw/zinc/23/97/13/412239713.db2.gz ZQMRWJUCVDJAQI-UHFFFAOYSA-N 2 0 215.341 0.524 20 0 BCADRP C[NH2+]C[C@H](C)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000665296666 412242788 /nfs/dbraw/zinc/24/27/88/412242788.db2.gz WCJGXVKCNCGIJQ-DCAQKATOSA-N 2 0 211.353 0.809 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000662733868 412288180 /nfs/dbraw/zinc/28/81/80/412288180.db2.gz WLOVBZUPDAJIOV-XYPYZODXSA-N 2 0 237.347 0.420 20 0 BCADRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])S(C)(=O)=O ZINC000665299741 412247622 /nfs/dbraw/zinc/24/76/22/412247622.db2.gz RXEVCQHPHKHSIB-MXWKQRLJSA-N 2 0 248.392 0.527 20 0 BCADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)S(C)(=O)=O ZINC000665299612 412248162 /nfs/dbraw/zinc/24/81/62/412248162.db2.gz QFNHDLSEDJHZJG-OUAUKWLOSA-N 2 0 248.392 0.397 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662732307 412288232 /nfs/dbraw/zinc/28/82/32/412288232.db2.gz AJWOPASRQJASKX-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)[NH+](C)C ZINC000662629729 412248808 /nfs/dbraw/zinc/24/88/08/412248808.db2.gz BFPATDDEBQMBDP-MDZLAQPJSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H](CCNC(=O)CC1([NH3+])CCC1)[NH+](C)C ZINC000662632724 412250237 /nfs/dbraw/zinc/25/02/37/412250237.db2.gz GKHWLEWRFJAYPV-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H](CCNC(=O)CC(C)(C)[NH3+])[NH+](C)C ZINC000662635062 412251109 /nfs/dbraw/zinc/25/11/09/412251109.db2.gz USNXDIAXLUYGKO-VIFPVBQESA-N 2 0 215.341 0.570 20 0 BCADRP C[NH2+]CCC(=O)NCC[C@H](C)[NH+](C)C ZINC000662633027 412251598 /nfs/dbraw/zinc/25/15/98/412251598.db2.gz IKVJJPANFVPDIU-VIFPVBQESA-N 2 0 201.314 0.052 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000662818122 412305944 /nfs/dbraw/zinc/30/59/44/412305944.db2.gz PIDAWODBENXVRB-VLEAKVRGSA-N 2 0 227.352 0.426 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)CC3([NH3+])CC3)[C@H]2C1 ZINC000662804642 412306168 /nfs/dbraw/zinc/30/61/68/412306168.db2.gz GEJVKOHQBGSQEI-QWRGUYRKSA-N 2 0 237.347 0.420 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000662818924 412306334 /nfs/dbraw/zinc/30/63/34/412306334.db2.gz FWVKNDKPQOTNGN-OPRDCNLKSA-N 2 0 213.325 0.371 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662811709 412307340 /nfs/dbraw/zinc/30/73/40/412307340.db2.gz ATJJFZPWVJNSFM-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]C[C@@H](NC(=O)CC1([NH3+])CC1)C1CCCC1 ZINC000662811931 412307683 /nfs/dbraw/zinc/30/76/83/412307683.db2.gz CLDZHHWRWXCIDT-SNVBAGLBSA-N 2 0 225.336 0.502 20 0 BCADRP C[C@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000662815396 412308460 /nfs/dbraw/zinc/30/84/60/412308460.db2.gz TWBZZOFSQOAACT-MMWGEVLESA-N 2 0 225.336 0.167 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000662815284 412308592 /nfs/dbraw/zinc/30/85/92/412308592.db2.gz RDCLSVXRVAXSOG-RKDXNWHRSA-N 2 0 215.341 0.474 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662813629 412308737 /nfs/dbraw/zinc/30/87/37/412308737.db2.gz BOHZQKUEISMUKR-CIUDSAMLSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)CC2([NH3+])CC2)C[C@@H]1C[NH3+] ZINC000662816376 412308792 /nfs/dbraw/zinc/30/87/92/412308792.db2.gz AXKLMVRLUVAJAU-MXWKQRLJSA-N 2 0 239.363 0.700 20 0 BCADRP CN(CC[NH3+])C(=O)c1cccc2c1CC[NH2+]C2 ZINC000662813008 412309018 /nfs/dbraw/zinc/30/90/18/412309018.db2.gz GRDAQQMQUMXVJA-UHFFFAOYSA-N 2 0 233.315 0.363 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000662818805 412309385 /nfs/dbraw/zinc/30/93/85/412309385.db2.gz AVUWGCUIUCXHPY-VGMNWLOBSA-N 2 0 201.314 0.226 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662817998 412309829 /nfs/dbraw/zinc/30/98/29/412309829.db2.gz ZMIOHFAMQUQGSS-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000662818411 412309853 /nfs/dbraw/zinc/30/98/53/412309853.db2.gz XIAATDXKZTUOKO-BJDJZHNGSA-N 2 0 241.379 0.816 20 0 BCADRP [NH3+][C@@H]1Cc2ccccc2N(C(=O)CC2([NH3+])CC2)C1 ZINC000662817298 412310083 /nfs/dbraw/zinc/31/00/83/412310083.db2.gz VHHGHBRWNHNCFE-LLVKDONJSA-N 2 0 245.326 0.784 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000662830858 412314540 /nfs/dbraw/zinc/31/45/40/412314540.db2.gz WVCJIXLQKQKJRT-SDDRHHMPSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000662832059 412315305 /nfs/dbraw/zinc/31/53/05/412315305.db2.gz IIUGNOLHKUWYFZ-ZJUUUORDSA-N 2 0 213.325 0.323 20 0 BCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CC[NH2+]1 ZINC000662840080 412318271 /nfs/dbraw/zinc/31/82/71/412318271.db2.gz XNKDHWHFMXNZTH-IJLUTSLNSA-N 2 0 237.347 0.481 20 0 BCADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CC[NH2+]1 ZINC000662840083 412318791 /nfs/dbraw/zinc/31/87/91/412318791.db2.gz XNKDHWHFMXNZTH-UTUOFQBUSA-N 2 0 237.347 0.481 20 0 BCADRP CC[C@@]1(C(=O)N(C)CC(C)(C)[NH3+])CCC[NH2+]1 ZINC000662844907 412320049 /nfs/dbraw/zinc/32/00/49/412320049.db2.gz ICBWPZUYAHDWEW-LBPRGKRZSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)c1cc(N[C@H]2CC[NH2+]C2)nc(N(C)C)[nH+]1 ZINC000420153897 412321654 /nfs/dbraw/zinc/32/16/54/412321654.db2.gz QXPQXCXCZDNFAP-JTQLQIEISA-N 2 0 249.362 1.440 20 0 BCADRP C[C@H](CCNC(=O)[C@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000662860922 412328032 /nfs/dbraw/zinc/32/80/32/412328032.db2.gz VNOOMKPAKHIILH-DGCLKSJQSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H](CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[NH+](C)C ZINC000662860981 412328415 /nfs/dbraw/zinc/32/84/15/412328415.db2.gz WNLJEDWSKKMRPI-ZDCRXTMVSA-N 2 0 225.336 0.193 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC2([NH3+])CCCC2)C1 ZINC000662863343 412329105 /nfs/dbraw/zinc/32/91/05/412329105.db2.gz OVVGLMBMCPPTQU-GHMZBOCLSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@]1(C(=O)NCC2([NH3+])CCCC2)CCC[NH2+]1 ZINC000662863782 412329223 /nfs/dbraw/zinc/32/92/23/412329223.db2.gz VPZPNBXGWOCNIJ-NSHDSACASA-N 2 0 225.336 0.516 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000662876089 412332994 /nfs/dbraw/zinc/33/29/94/412332994.db2.gz QEPOKPYQEHTTLW-QWKFWESOSA-N 2 0 237.347 0.326 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662876848 412333358 /nfs/dbraw/zinc/33/33/58/412333358.db2.gz JTNILABYUMUVPP-NBBOBHDQSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[NH+](C)C)[C@@H]1CCC[NH3+] ZINC000662893424 412335948 /nfs/dbraw/zinc/33/59/48/412335948.db2.gz KNZWIOYDKHILCT-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662914089 412343484 /nfs/dbraw/zinc/34/34/84/412343484.db2.gz WSKGXKWLRBOQEV-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662926337 412347091 /nfs/dbraw/zinc/34/70/91/412347091.db2.gz ZMDKJUCLPGGVER-NBBOBHDQSA-N 2 0 225.336 0.228 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH2+]1 ZINC000132904999 412351003 /nfs/dbraw/zinc/35/10/03/412351003.db2.gz QHKNBDVDOOMGAJ-QJPTWQEYSA-N 2 0 237.347 0.481 20 0 BCADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]CC2)CC[C@H]1F ZINC000662945880 412351597 /nfs/dbraw/zinc/35/15/97/412351597.db2.gz WCFGJZQDBNSVGX-GMTAPVOTSA-N 2 0 243.326 0.274 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000662952828 412352242 /nfs/dbraw/zinc/35/22/42/412352242.db2.gz HWIQBALCQWFZRO-BJDJZHNGSA-N 2 0 239.363 0.631 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC[NH2+]C1 ZINC000364831348 171710778 /nfs/dbraw/zinc/71/07/78/171710778.db2.gz YHODHRJXIAFVSM-LOWVWBTDSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@]1(C(=O)NC[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000184074494 171711413 /nfs/dbraw/zinc/71/14/13/171711413.db2.gz LYEMGZHJOISDSJ-ZYHUDNBSSA-N 2 0 225.336 0.387 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000662954771 412353622 /nfs/dbraw/zinc/35/36/22/412353622.db2.gz ZIOKOFRBQPXZLC-ZYHUDNBSSA-N 2 0 235.331 0.453 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000662953876 412353826 /nfs/dbraw/zinc/35/38/26/412353826.db2.gz QRDVUTKWTXPWDX-GWCFXTLKSA-N 2 0 247.342 0.598 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC000662964522 412356783 /nfs/dbraw/zinc/35/67/83/412356783.db2.gz FXAJMPOZXMEYAE-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000662966054 412358041 /nfs/dbraw/zinc/35/80/41/412358041.db2.gz OHXXCLDDAISLGQ-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]C ZINC000662965730 412358056 /nfs/dbraw/zinc/35/80/56/412358056.db2.gz MRJBZXPBZJYLLZ-VIFPVBQESA-N 2 0 201.314 0.052 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000662966714 412358835 /nfs/dbraw/zinc/35/88/35/412358835.db2.gz UYDUQGBKGJBKAV-KOLCDFICSA-N 2 0 213.325 0.100 20 0 BCADRP CC[C@@]1(C(=O)N[C@H](C)C[NH2+]C)CCC[NH2+]1 ZINC000662966692 412359108 /nfs/dbraw/zinc/35/91/08/412359108.db2.gz UQYDXBRDWRWBLH-KOLCDFICSA-N 2 0 213.325 0.243 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000662968502 412359895 /nfs/dbraw/zinc/35/98/95/412359895.db2.gz JGVOSJIMOAMWBF-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C2([NH3+])CCCC2)CC[N@@H+]1C ZINC000132941120 412368064 /nfs/dbraw/zinc/36/80/64/412368064.db2.gz HTUDXGYCEJBVNO-GHMZBOCLSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662744641 412289752 /nfs/dbraw/zinc/28/97/52/412289752.db2.gz BFDJADRTJMQATN-GMTAPVOTSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662754338 412291501 /nfs/dbraw/zinc/29/15/01/412291501.db2.gz LASWGRCEEFISKT-QFOLPQNPSA-N 2 0 237.347 0.323 20 0 BCADRP CN(C)c1cc(NC(=O)CC2([NH3+])CC2)ccn1 ZINC000662750987 412291648 /nfs/dbraw/zinc/29/16/48/412291648.db2.gz QXLHVHSOXWMXJH-UHFFFAOYSA-N 2 0 234.303 0.968 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)CC2([NH3+])CC2)C[N@@H+]1C1CC1 ZINC000662755367 412291877 /nfs/dbraw/zinc/29/18/77/412291877.db2.gz YTIWZZIZBNEBRP-VHSXEESVSA-N 2 0 237.347 0.609 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C1 ZINC000662756032 412291894 /nfs/dbraw/zinc/29/18/94/412291894.db2.gz FMLJVTNUXOZILC-FXPVBKGRSA-N 2 0 223.320 0.077 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CC3([NH3+])CC3)C[C@H]21 ZINC000662765826 412294891 /nfs/dbraw/zinc/29/48/91/412294891.db2.gz IUGAXGLDUYLBOV-GMTAPVOTSA-N 2 0 237.347 0.454 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662768399 412296307 /nfs/dbraw/zinc/29/63/07/412296307.db2.gz CDLJRLIWVNKFBR-VWYCJHECSA-N 2 0 239.363 0.489 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC000662770793 412297209 /nfs/dbraw/zinc/29/72/09/412297209.db2.gz QZJYZTLINQAEMD-JTQLQIEISA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)CC1([NH3+])CC1 ZINC000662779981 412297389 /nfs/dbraw/zinc/29/73/89/412297389.db2.gz PMQNXKTVGJNKFH-UHFFFAOYSA-N 2 0 213.325 0.502 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662773901 412297952 /nfs/dbraw/zinc/29/79/52/412297952.db2.gz WIQUYGNGGRZQGU-MXWKQRLJSA-N 2 0 239.363 0.489 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662774379 412297993 /nfs/dbraw/zinc/29/79/93/412297993.db2.gz OEYMJNGFEWSBGO-SNVBAGLBSA-N 2 0 239.363 0.775 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662773380 412298279 /nfs/dbraw/zinc/29/82/79/412298279.db2.gz HTSUQDRDHJALEB-JTQLQIEISA-N 2 0 225.336 0.455 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000662782214 412300874 /nfs/dbraw/zinc/30/08/74/412300874.db2.gz CNWIANHTQRPGRJ-GARJFASQSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662782486 412300995 /nfs/dbraw/zinc/30/09/95/412300995.db2.gz ZVYFROJEZJUWKP-QGKZMRNZSA-N 2 0 225.336 0.226 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662785422 412301298 /nfs/dbraw/zinc/30/12/98/412301298.db2.gz HWWHZGJQKVJISN-HAQNSBGRSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1C ZINC000663013107 412371243 /nfs/dbraw/zinc/37/12/43/412371243.db2.gz JHOOLNJQJMBYDS-FOGDFJRCSA-N 2 0 225.336 0.195 20 0 BCADRP CC1CC[NH+](CC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000663014451 412372084 /nfs/dbraw/zinc/37/20/84/412372084.db2.gz VILOMKCQEARZCD-ZDUSSCGKSA-N 2 0 239.363 0.587 20 0 BCADRP NC(=[NH2+])NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663234443 412396484 /nfs/dbraw/zinc/39/64/84/412396484.db2.gz SJAPDZPZATXLKE-SNVBAGLBSA-N 2 0 210.325 0.591 20 0 BCADRP CCn1cc(CN2CC[C@H](C[NH2+]C)C2)cn1 ZINC000070800115 172165151 /nfs/dbraw/zinc/16/51/51/172165151.db2.gz AJLLRCVCLHKTKN-LLVKDONJSA-N 2 0 222.336 0.944 20 0 BCADRP CCn1nccc1CNC[C@]1(O)CC[N@H+](C)C1 ZINC000358154617 172271655 /nfs/dbraw/zinc/27/16/55/172271655.db2.gz DTGJUOOHTXQPHQ-GFCCVEGCSA-N 2 0 238.335 0.059 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000568247958 322930369 /nfs/dbraw/zinc/93/03/69/322930369.db2.gz CHJRMECHJLHYBP-OLZOCXBDSA-N 3 0 240.395 0.141 20 0 BCADRP CN(C(=O)C[C@@H]([NH3+])c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000178806846 172312267 /nfs/dbraw/zinc/31/22/67/172312267.db2.gz RIHHHSIITWBOJV-QWHCGFSZSA-N 2 0 247.342 0.897 20 0 BCADRP CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@H]1CC[NH2+]C1 ZINC000378306001 172326580 /nfs/dbraw/zinc/32/65/80/172326580.db2.gz KSJPZYJLOGEAFG-QWRGUYRKSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000062115930 172395085 /nfs/dbraw/zinc/39/50/85/172395085.db2.gz ORKMQVOCUJCRRO-SECBINFHSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH+](C)C/C=C/C(=O)N1CCC[N@H+](C)CC1 ZINC000265627211 172398469 /nfs/dbraw/zinc/39/84/69/172398469.db2.gz LWNBGBBPJMYGRF-GQCTYLIASA-N 2 0 225.336 0.268 20 0 BCADRP C[NH+](C)C/C=C/C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000265599051 172399060 /nfs/dbraw/zinc/39/90/60/172399060.db2.gz BZISLKLBPTZCTI-ZWNMCFTASA-N 2 0 225.336 0.172 20 0 BCADRP C[NH+](C)C/C=C/C(=O)NCCC[NH+](C)C ZINC000265664998 172399158 /nfs/dbraw/zinc/39/91/58/172399158.db2.gz ZLTQJVKWLQVABF-FNORWQNLSA-N 2 0 213.325 0.172 20 0 BCADRP C[NH+](C)CC1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000050463482 172425662 /nfs/dbraw/zinc/42/56/62/172425662.db2.gz QXRJROBSSVFUCX-MNOVXSKESA-N 2 0 225.336 0.134 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000041679540 172428764 /nfs/dbraw/zinc/42/87/64/172428764.db2.gz OLICLNHFLOJSHT-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000094647227 487624933 /nfs/dbraw/zinc/62/49/33/487624933.db2.gz IEZWQPCJFDCHAF-JQWIXIFHSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+](C)C[C@@H](NC(=O)CC[NH3+])c1ccccc1 ZINC000040809105 172481600 /nfs/dbraw/zinc/48/16/00/172481600.db2.gz NUWBVKNWFTVFSE-GFCCVEGCSA-N 2 0 235.331 0.754 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000335653515 172993998 /nfs/dbraw/zinc/99/39/98/172993998.db2.gz KKKGFPLKHRDDIN-LLVKDONJSA-N 2 0 225.336 0.324 20 0 BCADRP C[N@@H+]1CCCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000020217858 173011758 /nfs/dbraw/zinc/01/17/58/173011758.db2.gz GBPONUSIWFWORS-UHFFFAOYSA-N 2 0 239.363 0.812 20 0 BCADRP C[N@@H+]1CCCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000037479425 173012544 /nfs/dbraw/zinc/01/25/44/173012544.db2.gz NIWXBPFFXYSWIV-UHFFFAOYSA-N 2 0 225.336 0.422 20 0 BCADRP C[N@@H+]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000042165847 173012602 /nfs/dbraw/zinc/01/26/02/173012602.db2.gz UBBQALBAKWMWJB-LLVKDONJSA-N 2 0 225.336 0.293 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000020246676 173013805 /nfs/dbraw/zinc/01/38/05/173013805.db2.gz XZAUPJHEAXQEKS-LLVKDONJSA-N 2 0 225.336 0.293 20 0 BCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000309459997 173023815 /nfs/dbraw/zinc/02/38/15/173023815.db2.gz NPWPZHLULAZALO-SNVBAGLBSA-N 2 0 225.336 0.291 20 0 BCADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000358700478 173026342 /nfs/dbraw/zinc/02/63/42/173026342.db2.gz XPNGYUABLWFWFH-LLVKDONJSA-N 2 0 225.336 0.293 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000226394276 173030830 /nfs/dbraw/zinc/03/08/30/173030830.db2.gz DUWILBOACWSFKA-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1C[NH2+]C1 ZINC000378639455 173034099 /nfs/dbraw/zinc/03/40/99/173034099.db2.gz FGSVOIOORKWNDE-NEPJUHHUSA-N 2 0 237.347 0.291 20 0 BCADRP CN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000226018900 173034279 /nfs/dbraw/zinc/03/42/79/173034279.db2.gz DQVCAQJQDKLCRB-IJLUTSLNSA-N 2 0 211.353 0.798 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)NCC1([NH3+])CCC1 ZINC000333937270 173052891 /nfs/dbraw/zinc/05/28/91/173052891.db2.gz LKXKQPDLCOLJFF-JTQLQIEISA-N 2 0 240.351 0.261 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)CC1CC[NH2+]CC1 ZINC000226394540 173053701 /nfs/dbraw/zinc/05/37/01/173053701.db2.gz XIFDBFJSWFKFHA-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)C1([NH3+])CCCCC1 ZINC000224046013 173053759 /nfs/dbraw/zinc/05/37/59/173053759.db2.gz VXOXKBZQPKPTBB-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C1C[NH2+]C1 ZINC000378639460 173058536 /nfs/dbraw/zinc/05/85/36/173058536.db2.gz FGSVOIOORKWNDE-RYUDHWBXSA-N 2 0 237.347 0.291 20 0 BCADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOCCO)CC[C@@H]21 ZINC000129155185 173058910 /nfs/dbraw/zinc/05/89/10/173058910.db2.gz FTNBVPNCVNTAER-STQMWFEESA-N 2 0 242.363 0.411 20 0 BCADRP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C(C)(C)[NH3+] ZINC000371262372 173059681 /nfs/dbraw/zinc/05/96/81/173059681.db2.gz LGEQTKZOYYBGFR-WDEREUQCSA-N 2 0 239.363 0.809 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000250608887 173145000 /nfs/dbraw/zinc/14/50/00/173145000.db2.gz MBBQDJNVFBUZSD-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000134505133 173145264 /nfs/dbraw/zinc/14/52/64/173145264.db2.gz BCIHCFKUGXWGME-VXGBXAGGSA-N 2 0 239.363 0.444 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000037484950 173145540 /nfs/dbraw/zinc/14/55/40/173145540.db2.gz IXIYURBNIVTHQW-LLVKDONJSA-N 2 0 225.336 0.054 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]CCOCCO)[C@H]2CCC[C@@H]21 ZINC000368609470 173152303 /nfs/dbraw/zinc/15/23/03/173152303.db2.gz YMXZYHZFCVVZSR-AGIUHOORSA-N 2 0 242.363 0.458 20 0 BCADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCCO)C2)C1 ZINC000308988979 173166449 /nfs/dbraw/zinc/16/64/49/173166449.db2.gz NAPVBUCCGHKAAE-LBPRGKRZSA-N 2 0 212.337 0.787 20 0 BCADRP CN1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1=O ZINC000336714620 173194805 /nfs/dbraw/zinc/19/48/05/173194805.db2.gz PEMNCFUCSOABPD-IJLUTSLNSA-N 2 0 237.347 0.434 20 0 BCADRP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCCC[C@@H]3O)C[C@@H]2C1 ZINC000193597068 173197668 /nfs/dbraw/zinc/19/76/68/173197668.db2.gz KXQIJELNNDEKMN-RNJOBUHISA-N 2 0 224.348 0.783 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000309094860 173282477 /nfs/dbraw/zinc/28/24/77/173282477.db2.gz DMELJZZBAREXSI-ZJUUUORDSA-N 2 0 215.341 0.298 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000323065189 173282667 /nfs/dbraw/zinc/28/26/67/173282667.db2.gz UZCPGQSBQFCALQ-GARJFASQSA-N 2 0 239.363 0.726 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000341982828 173283252 /nfs/dbraw/zinc/28/32/52/173283252.db2.gz VLGOFRLSEWLPMX-SRVKXCTJSA-N 2 0 241.379 0.973 20 0 BCADRP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cnc[nH]1 ZINC000336752631 173299905 /nfs/dbraw/zinc/29/99/05/173299905.db2.gz DNQKKBFBGNZTOS-NXEZZACHSA-N 2 0 222.292 0.414 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000364468731 173322632 /nfs/dbraw/zinc/32/26/32/173322632.db2.gz ROMOOPDHXDHXMV-GFCCVEGCSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000364468732 173323256 /nfs/dbraw/zinc/32/32/56/173323256.db2.gz ROMOOPDHXDHXMV-LBPRGKRZSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+]CC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063124101 173324239 /nfs/dbraw/zinc/32/42/39/173324239.db2.gz QQRYXCAZYSATEP-UHFFFAOYSA-N 2 0 213.325 0.006 20 0 BCADRP C[NH2+]CC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000237179142 173324494 /nfs/dbraw/zinc/32/44/94/173324494.db2.gz PVQOJESWDSEOQT-VIFPVBQESA-N 2 0 201.314 0.038 20 0 BCADRP C[NH2+]CC(=O)N(CC[NH+](C)C)CC(C)C ZINC000037825183 173324913 /nfs/dbraw/zinc/32/49/13/173324913.db2.gz FIJPOIBFUSZNEJ-UHFFFAOYSA-N 2 0 215.341 0.252 20 0 BCADRP C[NH2+]CC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000037801516 173325078 /nfs/dbraw/zinc/32/50/78/173325078.db2.gz NPMXZECXGOXEID-UHFFFAOYSA-N 2 0 249.358 0.796 20 0 BCADRP C[NH2+]CC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000335832577 173327036 /nfs/dbraw/zinc/32/70/36/173327036.db2.gz NMBXPCODBDZOOA-UHFFFAOYSA-N 2 0 225.336 0.198 20 0 BCADRP C[NH2+]CC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000237224187 173328655 /nfs/dbraw/zinc/32/86/55/173328655.db2.gz ITTYFNKFXQNPQI-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[NH2+]CC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000040832995 173329099 /nfs/dbraw/zinc/32/90/99/173329099.db2.gz AVAGKRVMRDWUJH-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP C[NH2+]CC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237221745 173329136 /nfs/dbraw/zinc/32/91/36/173329136.db2.gz HVWULPSBPKVGOL-TXEJJXNPSA-N 2 0 241.379 0.690 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000040831284 173329632 /nfs/dbraw/zinc/32/96/32/173329632.db2.gz JYGCAOFILRGXRX-SNVBAGLBSA-N 2 0 215.341 0.298 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000375961689 173330499 /nfs/dbraw/zinc/33/04/99/173330499.db2.gz CTJHGAMCKSCWLA-LBPRGKRZSA-N 2 0 233.315 0.209 20 0 BCADRP C[NH2+]CC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000038042278 173330826 /nfs/dbraw/zinc/33/08/26/173330826.db2.gz NKFFBWNUCWHPJK-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP C[NH2+]CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000035018052 173331452 /nfs/dbraw/zinc/33/14/52/173331452.db2.gz VJSYQUHCYILAFU-CYBMUJFWSA-N 2 0 247.342 0.597 20 0 BCADRP C[NH2+]CC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042509 173333378 /nfs/dbraw/zinc/33/33/78/173333378.db2.gz RBIIGORSDKWMCD-UHFFFAOYSA-N 2 0 221.304 0.906 20 0 BCADRP C[NH2+]CCC(=O)N(C)C1CC[NH+](C)CC1 ZINC000043599849 173338386 /nfs/dbraw/zinc/33/83/86/173338386.db2.gz XGWKJVUIRHCNOL-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP C[NH2+]CC1CC[NH+]([C@@H](C)COC)CC1 ZINC000063159130 173338613 /nfs/dbraw/zinc/33/86/13/173338613.db2.gz BSUOSSGOMYYKLW-JTQLQIEISA-N 2 0 200.326 0.953 20 0 BCADRP C[NH2+]CC1CC[NH+](CC(C)(C)O)CC1 ZINC000063166239 173338816 /nfs/dbraw/zinc/33/88/16/173338816.db2.gz GMFFBJORYJVQTI-UHFFFAOYSA-N 2 0 200.326 0.689 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000375911486 173339156 /nfs/dbraw/zinc/33/91/56/173339156.db2.gz GXDVNVORBMOYBC-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000375911564 173339589 /nfs/dbraw/zinc/33/95/89/173339589.db2.gz GXDVNVORBMOYBC-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000367648139 173339631 /nfs/dbraw/zinc/33/96/31/173339631.db2.gz FQFGZDSYAPQMKD-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000262538207 173340721 /nfs/dbraw/zinc/34/07/21/173340721.db2.gz MUJSZQKEMQSVIL-UHFFFAOYSA-N 2 0 249.358 0.974 20 0 BCADRP C[NH2+]CCC(=O)Nc1c[nH+]ccc1-n1ccnc1 ZINC000285760167 173342165 /nfs/dbraw/zinc/34/21/65/173342165.db2.gz KJIUCEOWUCRHGO-UHFFFAOYSA-N 2 0 245.286 0.815 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000037826122 173343388 /nfs/dbraw/zinc/34/33/88/173343388.db2.gz YQAGDYDGNWZKSU-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP C[NH2+]CCCC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000237114547 173343462 /nfs/dbraw/zinc/34/34/62/173343462.db2.gz JUOZUTDKRJLPMV-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP C[NH2+]CCCC(=O)NCC[NH+]1CCC(C)CC1 ZINC000040772659 173343572 /nfs/dbraw/zinc/34/35/72/173343572.db2.gz ILDXPBYGEKYXGQ-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH2+]CCCC(=O)NCC1([NH+](C)C)CCCC1 ZINC000125649091 173343884 /nfs/dbraw/zinc/34/38/84/173343884.db2.gz FSSLWIDUSXTVJW-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000376454278 173344071 /nfs/dbraw/zinc/34/40/71/173344071.db2.gz KMJSMRZBUJGUDN-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CCCC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188753146 173344253 /nfs/dbraw/zinc/34/42/53/173344253.db2.gz NYZMXCWWHSSKOR-UHFFFAOYSA-N 2 0 247.342 0.906 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000062076599 173344408 /nfs/dbraw/zinc/34/44/08/173344408.db2.gz YMPZPVZYLDEZGJ-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649677 173344694 /nfs/dbraw/zinc/34/46/94/173344694.db2.gz DMMPZQFCGHTPAH-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000062076597 173344702 /nfs/dbraw/zinc/34/47/02/173344702.db2.gz YMPZPVZYLDEZGJ-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000310123945 173346137 /nfs/dbraw/zinc/34/61/37/173346137.db2.gz IRSKIOFOXNSCFL-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000377126193 173347867 /nfs/dbraw/zinc/34/78/67/173347867.db2.gz JDARYMWKNDEDBH-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCN(C)C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000120409839 173351168 /nfs/dbraw/zinc/35/11/68/173351168.db2.gz WEAOHGKIXHEURB-UHFFFAOYSA-N 2 0 247.342 0.161 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000120517295 173352106 /nfs/dbraw/zinc/35/21/06/173352106.db2.gz ZYMJOWHDMMJERY-SNVBAGLBSA-N 2 0 215.341 0.250 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000070304839 173352164 /nfs/dbraw/zinc/35/21/64/173352164.db2.gz YPGDDNCQKVUJHS-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000249860915 173352298 /nfs/dbraw/zinc/35/22/98/173352298.db2.gz YPGDDNCQKVUJHS-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000092133674 173362453 /nfs/dbraw/zinc/36/24/53/173362453.db2.gz XXKKDXNNWRLNKR-SNVBAGLBSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000237147544 173362463 /nfs/dbraw/zinc/36/24/63/173362463.db2.gz GMAORGXHHLVFIS-VXGBXAGGSA-N 2 0 241.379 0.642 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000092135813 173362525 /nfs/dbraw/zinc/36/25/25/173362525.db2.gz UTVYDUYWWOOOBS-VXGBXAGGSA-N 2 0 243.395 0.934 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000092137023 173362718 /nfs/dbraw/zinc/36/27/18/173362718.db2.gz SCNVJQKAEOTOIZ-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000226399303 173362893 /nfs/dbraw/zinc/36/28/93/173362893.db2.gz OXJOGNMJFLIZEY-NXEZZACHSA-N 2 0 227.352 0.441 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000237230899 173363151 /nfs/dbraw/zinc/36/31/51/173363151.db2.gz UQURVVVLVSSZHV-PWSUYJOCSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H](C)Cn1ccnc1 ZINC000237206510 173363504 /nfs/dbraw/zinc/36/35/04/173363504.db2.gz CGULBVZZOWQBPK-WDEREUQCSA-N 2 0 238.335 0.491 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364158110 173368768 /nfs/dbraw/zinc/36/87/68/173368768.db2.gz STQWSUAKNSPCCE-GMXVVIOVSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC000053031618 173371326 /nfs/dbraw/zinc/37/13/26/173371326.db2.gz BQWVGTLOWZYGQZ-NSHDSACASA-N 2 0 208.309 0.424 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000122059787 173373479 /nfs/dbraw/zinc/37/34/79/173373479.db2.gz JUKUNVNQYATPSX-HBNTYKKESA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000092137022 173373871 /nfs/dbraw/zinc/37/38/71/173373871.db2.gz SCNVJQKAEOTOIZ-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000374630748 173374106 /nfs/dbraw/zinc/37/41/06/173374106.db2.gz NEDAMRIIFXSEIQ-NNYUYHANSA-N 2 0 239.363 0.428 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000364185408 173374111 /nfs/dbraw/zinc/37/41/11/173374111.db2.gz GJSKZDUZOFTWQM-LOWVWBTDSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCCC[NH+]1CCCCC1 ZINC000092132735 173374206 /nfs/dbraw/zinc/37/42/06/173374206.db2.gz GOJKBVAPDMIXMC-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000092135557 173374215 /nfs/dbraw/zinc/37/42/15/173374215.db2.gz GFYWYUFPONOWJC-LBPRGKRZSA-N 2 0 241.379 0.690 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000353181422 173375215 /nfs/dbraw/zinc/37/52/15/173375215.db2.gz FBCDTOGFGTYQSL-SDDRHHMPSA-N 2 0 241.379 0.592 20 0 BCADRP C[NH2+]C[C@H]1CCCN(CC(=O)NC(C)(C)C)C1 ZINC000040601197 173379053 /nfs/dbraw/zinc/37/90/53/173379053.db2.gz HDJQJUUKWFZYGU-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]C[C@H]1CCCN1CCOCCOC ZINC000070027587 173379832 /nfs/dbraw/zinc/37/98/32/173379832.db2.gz AOKPZQKYMPUPEM-LLVKDONJSA-N 2 0 216.325 0.333 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000333840204 173379874 /nfs/dbraw/zinc/37/98/74/173379874.db2.gz OCVANGSFZMAWPT-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP C[NH2+]C[C@H]1CCCN1CCN1CCOCC1 ZINC000042390403 173380322 /nfs/dbraw/zinc/38/03/22/173380322.db2.gz MIYMSEDFJZYPAR-GFCCVEGCSA-N 2 0 227.352 0.002 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)C1 ZINC000353166715 173435447 /nfs/dbraw/zinc/43/54/47/173435447.db2.gz KCJOXIAFJJUURJ-UTUOFQBUSA-N 2 0 239.363 0.441 20 0 BCADRP COCCCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000308586009 174202756 /nfs/dbraw/zinc/20/27/56/174202756.db2.gz IKEIELNFFCNEHD-GHMZBOCLSA-N 2 0 200.326 0.953 20 0 BCADRP COCCC[N@H+](CCO)C[C@@H]1CCC[NH2+]C1 ZINC000339430635 174224781 /nfs/dbraw/zinc/22/47/81/174224781.db2.gz HNDPARFDKLYRFB-GFCCVEGCSA-N 2 0 230.352 0.317 20 0 BCADRP COCCC[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000360252608 174263596 /nfs/dbraw/zinc/26/35/96/174263596.db2.gz WQYXNFFUGPPLTC-STQMWFEESA-N 2 0 244.379 0.848 20 0 BCADRP COCC[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000234649199 174278866 /nfs/dbraw/zinc/27/88/66/174278866.db2.gz NXNVPZMDUXONJN-WDEREUQCSA-N 2 0 200.326 0.953 20 0 BCADRP COCCN(CCOC)Cc1cncn1C ZINC000177235686 174295761 /nfs/dbraw/zinc/29/57/61/174295761.db2.gz KICXWXGHISFUPI-UHFFFAOYSA-N 2 0 227.308 0.515 20 0 BCADRP COCC[NH+](CCOC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000234636656 174296324 /nfs/dbraw/zinc/29/63/24/174296324.db2.gz JVWBVOKDEJPIOG-OLZOCXBDSA-N 2 0 244.379 0.969 20 0 BCADRP COCCOCCN1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000070531750 174352921 /nfs/dbraw/zinc/35/29/21/174352921.db2.gz ARMLCRUIXSAKGB-VXGBXAGGSA-N 2 0 230.352 0.851 20 0 BCADRP COCCOCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000044725566 174355777 /nfs/dbraw/zinc/35/57/77/174355777.db2.gz AIJDHQCDPHCIMZ-QWRGUYRKSA-N 2 0 216.325 0.319 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)C[NH2+]C(C)C)CC1 ZINC000037821713 487630136 /nfs/dbraw/zinc/63/01/36/487630136.db2.gz IZEDUSNITKZCEW-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)CC1CC[NH2+]CC1 ZINC000237411015 175709373 /nfs/dbraw/zinc/70/93/73/175709373.db2.gz SPWMSDIZFPXOBZ-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000309424568 175710921 /nfs/dbraw/zinc/71/09/21/175710921.db2.gz KEKMHTACQYSQBB-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)[NH+](C)C ZINC000061612324 175725895 /nfs/dbraw/zinc/72/58/95/175725895.db2.gz RKICKXZXDBQDNA-AAEUAGOBSA-N 2 0 249.358 0.795 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000037825041 175795643 /nfs/dbraw/zinc/79/56/43/175795643.db2.gz WWFTYRWZFJHNBU-SNVBAGLBSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042396072 175971153 /nfs/dbraw/zinc/97/11/53/175971153.db2.gz DLJFCDVFAHOXJD-SNVBAGLBSA-N 2 0 200.326 0.641 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1([NH3+])CC1 ZINC000237677304 176070818 /nfs/dbraw/zinc/07/08/18/176070818.db2.gz UQVTYVMGWLAOJI-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@@H]1CCC[N@H+](CCNC(=O)CCC[NH3+])C1 ZINC000237400108 176097390 /nfs/dbraw/zinc/09/73/90/176097390.db2.gz NRTRYSGCMVDPFZ-LLVKDONJSA-N 2 0 227.352 0.573 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298709 176108797 /nfs/dbraw/zinc/10/87/97/176108797.db2.gz SMJINBQERKGVIA-LLVKDONJSA-N 2 0 225.336 0.293 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000368818784 176185048 /nfs/dbraw/zinc/18/50/48/176185048.db2.gz QNFPUIFZWQCYAA-MPPDQPJWSA-N 2 0 237.347 0.100 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000367289941 176186042 /nfs/dbraw/zinc/18/60/42/176186042.db2.gz DSDDBRVTALCBFG-DDHJBXDOSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000373520155 176186320 /nfs/dbraw/zinc/18/63/20/176186320.db2.gz FTFBEWRJWVUOAN-IJLUTSLNSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC([NH3+])CC1 ZINC000336515129 176199238 /nfs/dbraw/zinc/19/92/38/176199238.db2.gz JWSJYDGNHHBNSC-GHMZBOCLSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000188410699 176253536 /nfs/dbraw/zinc/25/35/36/176253536.db2.gz DAHKPCOAMOXWIL-PWSUYJOCSA-N 2 0 233.315 0.507 20 0 BCADRP C[C@@H]1CC[C@H]1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000669585655 487633555 /nfs/dbraw/zinc/63/35/55/487633555.db2.gz IAEJSVDWUTYTEW-GMTAPVOTSA-N 2 0 240.351 0.069 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCn1ccnn1 ZINC000346853839 176269095 /nfs/dbraw/zinc/26/90/95/176269095.db2.gz BECLACMLCCJGMF-NEPJUHHUSA-N 2 0 237.351 0.598 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCn1ccnn1 ZINC000346853842 176270977 /nfs/dbraw/zinc/27/09/77/176270977.db2.gz BECLACMLCCJGMF-VXGBXAGGSA-N 2 0 237.351 0.598 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000362390421 176272883 /nfs/dbraw/zinc/27/28/83/176272883.db2.gz SMNAERXXTSQEFF-NEPJUHHUSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000362740279 176275961 /nfs/dbraw/zinc/27/59/61/176275961.db2.gz HXWWWPLYMZSOIC-GRYCIOLGSA-N 2 0 239.363 0.347 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335605720 176277768 /nfs/dbraw/zinc/27/77/68/176277768.db2.gz FPTCYSPKGIFOKC-DGCLKSJQSA-N 2 0 223.364 0.788 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)C(F)F ZINC000300357258 176278388 /nfs/dbraw/zinc/27/83/88/176278388.db2.gz WQWRWMRROWRHED-DOLQZWNJSA-N 2 0 236.306 0.931 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000310184918 176279167 /nfs/dbraw/zinc/27/91/67/176279167.db2.gz YFKZHERDDMVSAV-KKOKHZNYSA-N 2 0 239.363 0.535 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)C(F)F ZINC000300357261 176279213 /nfs/dbraw/zinc/27/92/13/176279213.db2.gz WQWRWMRROWRHED-ZYUZMQFOSA-N 2 0 236.306 0.931 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCO ZINC000036908333 176279407 /nfs/dbraw/zinc/27/94/07/176279407.db2.gz VMAMVINEFZCCMW-MXWKQRLJSA-N 2 0 200.326 0.687 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)C(F)F ZINC000300357260 176279960 /nfs/dbraw/zinc/27/99/60/176279960.db2.gz WQWRWMRROWRHED-KYXWUPHJSA-N 2 0 236.306 0.931 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)CC[NH3+] ZINC000331747275 176282148 /nfs/dbraw/zinc/28/21/48/176282148.db2.gz DQQJYCPQHCJWNC-MWLCHTKSSA-N 2 0 240.351 0.069 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)CC[C@@H]1[NH3+] ZINC000094341356 176302895 /nfs/dbraw/zinc/30/28/95/176302895.db2.gz YSZPSDPUPQQCQH-MFKMUULPSA-N 2 0 247.342 0.955 20 0 BCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+]C1 ZINC000246546498 176322520 /nfs/dbraw/zinc/32/25/20/176322520.db2.gz QRVWWBVCEYQBPX-GRYCIOLGSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1C[NH2+]C1 ZINC000094446934 176322653 /nfs/dbraw/zinc/32/26/53/176322653.db2.gz BJBZIUQQOFKTFN-ZYHUDNBSSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1c[nH+]ccc1N ZINC000294980019 176327632 /nfs/dbraw/zinc/32/76/32/176327632.db2.gz JQMORMOSEISMMT-KCJUWKMLSA-N 2 0 234.303 0.392 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000377564339 176328286 /nfs/dbraw/zinc/32/82/86/176328286.db2.gz NRZYBENBYQHOFT-KKOKHZNYSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000331803868 176329854 /nfs/dbraw/zinc/32/98/54/176329854.db2.gz AAZPPDKELQLQCC-IEBDPFPHSA-N 2 0 225.336 0.038 20 0 BCADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000310176999 176341698 /nfs/dbraw/zinc/34/16/98/176341698.db2.gz VVHUUGRBLBTSPV-WXHSDQCUSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000131745014 176367347 /nfs/dbraw/zinc/36/73/47/176367347.db2.gz YEHVNTFGBDBODS-PWSUYJOCSA-N 2 0 247.342 0.955 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnn(C)c1 ZINC000122294925 176367711 /nfs/dbraw/zinc/36/77/11/176367711.db2.gz ZFRNJLJPPWDPFY-ZJUUUORDSA-N 2 0 208.309 0.589 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)OCCO)CC[N@@H+]1C ZINC000336724631 176375410 /nfs/dbraw/zinc/37/54/10/176375410.db2.gz USGLFFNXSZESFI-NEPJUHHUSA-N 2 0 244.379 0.846 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCCn2ccnn2)CC[N@@H+]1C ZINC000126488615 176375656 /nfs/dbraw/zinc/37/56/56/176375656.db2.gz VUBMUPVRGAHKPN-NEPJUHHUSA-N 2 0 237.351 0.741 20 0 BCADRP C[C@@H]1C[C@@H](NC[C@]2(O)CC[NH+](C)C2)CC[N@@H+]1C ZINC000358259722 176376901 /nfs/dbraw/zinc/37/69/01/176376901.db2.gz USEWWZSHMVCCSK-FRRDWIJNSA-N 2 0 241.379 0.125 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C1CC[NH2+]CC1 ZINC000193523442 176459277 /nfs/dbraw/zinc/45/92/77/176459277.db2.gz UQNDWTXXYYLBPK-GXSJLCMTSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000336625841 176560756 /nfs/dbraw/zinc/56/07/56/176560756.db2.gz MQHBBEJTVWELEP-WDEREUQCSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055090543 176625249 /nfs/dbraw/zinc/62/52/49/176625249.db2.gz YRQSZXUHSOLPCC-WOPDTQHZSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000367652410 176655951 /nfs/dbraw/zinc/65/59/51/176655951.db2.gz DBAGOHWOSZXFDL-WOPDTQHZSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH+](C)CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335451238 487634876 /nfs/dbraw/zinc/63/48/76/487634876.db2.gz ASYDPNCSXOLJJF-LBPRGKRZSA-N 2 0 225.336 0.150 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC([NH+](C)C)CC1 ZINC000037476384 176755572 /nfs/dbraw/zinc/75/55/72/176755572.db2.gz VWRLUMHFJCJZLR-VIFPVBQESA-N 2 0 213.325 0.276 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000037824292 176755584 /nfs/dbraw/zinc/75/55/84/176755584.db2.gz ORIIHXUTQIEWEE-NWDGAFQWSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@H]1CC(=O)NCCN1CC[C@H]1CCC[N@@H+]1C ZINC000371199028 177062730 /nfs/dbraw/zinc/06/27/30/177062730.db2.gz QMMXNEYTGAODFH-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H]1CCCCN1C(=O)CN1CC[C@H](C[NH3+])C1 ZINC000050247190 177072186 /nfs/dbraw/zinc/07/21/86/177072186.db2.gz GKYCLXOOCJTTQD-NWDGAFQWSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000237459951 177075255 /nfs/dbraw/zinc/07/52/55/177075255.db2.gz GKTJZADZFFNCFZ-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@]([NH3+])(C(=O)NCCCC[NH3+])c1ccccc1 ZINC000052882710 487636904 /nfs/dbraw/zinc/63/69/04/487636904.db2.gz XCBXGQNIDZGIFD-ZDUSSCGKSA-N 2 0 235.331 0.716 20 0 BCADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCC[NH3+] ZINC000246225916 177099174 /nfs/dbraw/zinc/09/91/74/177099174.db2.gz HDYMTIVZIOGJAC-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]1CCN(C(=O)CCC[NH3+])[C@@H](C[NH3+])C1 ZINC000340159793 177147284 /nfs/dbraw/zinc/14/72/84/177147284.db2.gz KPSDZBQDRGSXOZ-VHSXEESVSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCCn1ccnc1 ZINC000193599170 177173783 /nfs/dbraw/zinc/17/37/83/177173783.db2.gz JFXNHXHJENTHTF-WDEREUQCSA-N 2 0 236.319 0.387 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000362375782 177233537 /nfs/dbraw/zinc/23/35/37/177233537.db2.gz MFKXOAYZFLRGRN-RYUDHWBXSA-N 2 0 239.363 0.348 20 0 BCADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCCC[NH+](C)C ZINC000336748661 177237213 /nfs/dbraw/zinc/23/72/13/177237213.db2.gz DLDIBRHFEJELAE-NWDGAFQWSA-N 2 0 213.369 0.868 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000341211578 177237389 /nfs/dbraw/zinc/23/73/89/177237389.db2.gz OQRQOELTDFZCQL-CMPLNLGQSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)CC[NH3+] ZINC000331747273 177241825 /nfs/dbraw/zinc/24/18/25/177241825.db2.gz DQQJYCPQHCJWNC-GXSJLCMTSA-N 2 0 240.351 0.069 20 0 BCADRP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000037482541 177250648 /nfs/dbraw/zinc/25/06/48/177250648.db2.gz OFMRHJSDEBGZPX-TXEJJXNPSA-N 2 0 227.352 0.001 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227410380 177279736 /nfs/dbraw/zinc/27/97/36/177279736.db2.gz NWPSSCNPVYZVNX-GRYCIOLGSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC[NH3+] ZINC000251694022 177280053 /nfs/dbraw/zinc/28/00/53/177280053.db2.gz ILZJCSCUHIDZHP-QWRGUYRKSA-N 2 0 225.336 0.420 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000125847681 177283331 /nfs/dbraw/zinc/28/33/31/177283331.db2.gz HMZFCKCZQXZQBZ-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1COCC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000354409875 177296526 /nfs/dbraw/zinc/29/65/26/177296526.db2.gz LVCBTYJFRDQPTB-NWDGAFQWSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[NH3+] ZINC000246184695 177312665 /nfs/dbraw/zinc/31/26/65/177312665.db2.gz CMAYYLCLMHMSAT-TUAOUCFPSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237637795 177313335 /nfs/dbraw/zinc/31/33/35/177313335.db2.gz NQGWWFAHDKQRTL-WHOHXGKFSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH3+])CN1C1CC1 ZINC000229934478 177331020 /nfs/dbraw/zinc/33/10/20/177331020.db2.gz BUFJRTIURZXREK-WDEREUQCSA-N 2 0 211.353 0.940 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1CC(=O)NC1CCCC1 ZINC000131794212 177323702 /nfs/dbraw/zinc/32/37/02/177323702.db2.gz NGXYDVJEWIKJFO-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000178831655 177328245 /nfs/dbraw/zinc/32/82/45/177328245.db2.gz QYWSQJFQXSKTNP-WCQYABFASA-N 2 0 247.342 0.724 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C2(C[NH3+])CCCC2)CC[NH2+]1 ZINC000336229374 177329024 /nfs/dbraw/zinc/32/90/24/177329024.db2.gz BXMDABHDNSNSAJ-QWRGUYRKSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CC2(O)CCC2)CC[N@@H+]1C ZINC000133414234 177330436 /nfs/dbraw/zinc/33/04/36/177330436.db2.gz IVGVVPQKVCXQFA-QWRGUYRKSA-N 2 0 212.337 0.974 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000178831640 177366902 /nfs/dbraw/zinc/36/69/02/177366902.db2.gz QYWSQJFQXSKTNP-AAEUAGOBSA-N 2 0 247.342 0.724 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C(C)(C)C[NH3+])CC[NH2+]1 ZINC000336268591 177367411 /nfs/dbraw/zinc/36/74/11/177367411.db2.gz OTIBSHUXPDOHEI-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)CC[N@@H+]1C ZINC000132954539 177368044 /nfs/dbraw/zinc/36/80/44/177368044.db2.gz NNQNOGPJOOQIFP-HBNTYKKESA-N 2 0 241.379 0.959 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000368554913 177395141 /nfs/dbraw/zinc/39/51/41/177395141.db2.gz DSTBHJVIHHUUNT-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000368011585 177395787 /nfs/dbraw/zinc/39/57/87/177395787.db2.gz ZMNLRPPCSNZAJE-GRYCIOLGSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000368011070 177395949 /nfs/dbraw/zinc/39/59/49/177395949.db2.gz WBIKFGRUYYPXAC-WYUUTHIRSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000368011068 177396123 /nfs/dbraw/zinc/39/61/23/177396123.db2.gz WBIKFGRUYYPXAC-KKOKHZNYSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1c[nH+]ccc1N ZINC000294720772 177397069 /nfs/dbraw/zinc/39/70/69/177397069.db2.gz CNTVKALYFIPVHX-LDYMZIIASA-N 2 0 234.303 0.534 20 0 BCADRP C[C@]1(C(=O)N2CCC[C@H]([NH3+])C2)CCCC[NH2+]1 ZINC000180894973 177453435 /nfs/dbraw/zinc/45/34/35/177453435.db2.gz AAABEMVCFFTBGA-CMPLNLGQSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CCC[NH2+]CC2)CCCC[NH2+]1 ZINC000364162862 177456208 /nfs/dbraw/zinc/45/62/08/177456208.db2.gz VGUYDSHWTSAETN-WCQYABFASA-N 2 0 239.363 0.777 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)[C@@H]([NH3+])C2CCC2)cc1 ZINC000568271262 322932729 /nfs/dbraw/zinc/93/27/29/322932729.db2.gz ABXYKDXCQXWCRS-ZDUSSCGKSA-N 2 0 247.342 0.889 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCN1C ZINC000226016912 487643709 /nfs/dbraw/zinc/64/37/09/487643709.db2.gz MMGHKXWGJLSOGM-RYUDHWBXSA-N 3 0 229.368 0.424 20 0 BCADRP C[C@@H](CNC(=O)/C=C\C[NH+](C)C)C[NH+](C)C ZINC000492838316 226064322 /nfs/dbraw/zinc/06/43/22/226064322.db2.gz MAUXGBZVYIJATP-ZADCQDASSA-N 2 0 227.352 0.418 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000493900432 226259030 /nfs/dbraw/zinc/25/90/30/226259030.db2.gz LYTXZHCGHVXMCU-WDCWCFNPSA-N 2 0 239.363 0.569 20 0 BCADRP [NH3+]CC1(NC(=O)CC[C@@H]2CCC[NH2+]2)CCCC1 ZINC000494563745 226266256 /nfs/dbraw/zinc/26/62/56/226266256.db2.gz INZNOYBSLCCTCI-NSHDSACASA-N 2 0 239.363 0.906 20 0 BCADRP COCC[N@H+](C)CCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400335043 226341000 /nfs/dbraw/zinc/34/10/00/226341000.db2.gz FTLYIYSGZJMVTM-RYUDHWBXSA-N 2 0 229.368 0.295 20 0 BCADRP C[C@@H](NCCOCC[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000400438625 226343744 /nfs/dbraw/zinc/34/37/44/226343744.db2.gz LVOABESDBLMUGI-NEPJUHHUSA-N 2 0 229.368 0.295 20 0 BCADRP COCC[C@](C)(O)CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400466964 226344375 /nfs/dbraw/zinc/34/43/75/226344375.db2.gz TXPYLUDXLFFLPZ-TUAOUCFPSA-N 2 0 230.352 0.504 20 0 BCADRP C[C@H](N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000400735994 226350645 /nfs/dbraw/zinc/35/06/45/226350645.db2.gz RSALLRSFYKULGN-DMDPSCGWSA-N 2 0 223.364 0.953 20 0 BCADRP C[N@H+](CCOCC1CC1)C[C@H]1CC[NH2+]C1 ZINC000087399727 487653161 /nfs/dbraw/zinc/65/31/61/487653161.db2.gz QJPIEVMTNBALRM-LBPRGKRZSA-N 2 0 212.337 0.954 20 0 BCADRP CC[NH2+]CCCNC(=O)NCCC[NH2+]C(C)C ZINC000557215425 322935314 /nfs/dbraw/zinc/93/53/14/322935314.db2.gz WSTJSSXPZQVUMW-UHFFFAOYSA-N 2 0 244.383 0.673 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N(C)CCC[NH3+] ZINC000557231584 322935464 /nfs/dbraw/zinc/93/54/64/322935464.db2.gz PXKNQFHGWRDUQV-SNVBAGLBSA-N 2 0 230.356 0.494 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC/C=C/C[NH3+] ZINC000669588492 487656979 /nfs/dbraw/zinc/65/69/79/487656979.db2.gz NBWNQCMADNMVAP-QRGHLMKCSA-N 2 0 242.367 0.529 20 0 BCADRP O[C@H]1CCCC[C@H]1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000328329313 487657748 /nfs/dbraw/zinc/65/77/48/487657748.db2.gz HAKBZMWXOBCITC-RVMXOQNASA-N 2 0 224.348 0.689 20 0 BCADRP COCCOC[C@H](C)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895429911 583668777 /nfs/dbraw/zinc/66/87/77/583668777.db2.gz YWMAHKREDZZBCK-NWDGAFQWSA-N 2 0 232.368 0.968 20 0 BCADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](C)[NH3+] ZINC000669589259 487660433 /nfs/dbraw/zinc/66/04/33/487660433.db2.gz GITSAWXUUIPVNJ-GHMZBOCLSA-N 2 0 244.383 0.753 20 0 BCADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H](C)[NH3+] ZINC000669589260 487660442 /nfs/dbraw/zinc/66/04/42/487660442.db2.gz GITSAWXUUIPVNJ-WDEREUQCSA-N 2 0 244.383 0.753 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C[NH3+] ZINC000307652138 229218593 /nfs/dbraw/zinc/21/85/93/229218593.db2.gz JILKFMLNCFFGLX-DGCLKSJQSA-N 2 0 247.342 0.582 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1cnn(C)c1 ZINC000227258065 487681215 /nfs/dbraw/zinc/68/12/15/487681215.db2.gz RCOGPLZKTGRXSY-CMPLNLGQSA-N 2 0 222.336 0.774 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000150989371 487684898 /nfs/dbraw/zinc/68/48/98/487684898.db2.gz YFSGJOMZPADMTA-VHSXEESVSA-N 2 0 213.325 0.147 20 0 BCADRP Cc1cncc(C[N@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000228619413 487695127 /nfs/dbraw/zinc/69/51/27/487695127.db2.gz UZINJQRMIGCJRC-UHFFFAOYSA-N 2 0 248.374 0.727 20 0 BCADRP C[N@H+](CCNC(=O)C1([NH3+])CCC1)C1CC1 ZINC000088051092 487696407 /nfs/dbraw/zinc/69/64/07/487696407.db2.gz KMYHOJWSXSZPMC-UHFFFAOYSA-N 2 0 211.309 0.078 20 0 BCADRP CC(C)[C@H](C(=O)NCCC[NH+](C)C)[C@H](C)[NH3+] ZINC000399727222 262844027 /nfs/dbraw/zinc/84/40/27/262844027.db2.gz KTAFLHVJOPGAES-QWRGUYRKSA-N 2 0 229.368 0.674 20 0 BCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCCF)C1 ZINC000088026343 487699686 /nfs/dbraw/zinc/69/96/86/487699686.db2.gz SZUIUDFKMBVJGQ-SNVBAGLBSA-N 2 0 231.315 0.133 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000082645532 487704733 /nfs/dbraw/zinc/70/47/33/487704733.db2.gz LZDDNILQISKDIQ-GARJFASQSA-N 2 0 227.352 0.522 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000669403289 487705805 /nfs/dbraw/zinc/70/58/05/487705805.db2.gz SAVZGSVERLYBBY-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000669403191 487706153 /nfs/dbraw/zinc/70/61/53/487706153.db2.gz OIVNJJXMLQYDDI-MNOVXSKESA-N 2 0 242.367 0.363 20 0 BCADRP C[N@H+](CCc1ccccc1)CC(=O)NCC[NH3+] ZINC000088193938 487709353 /nfs/dbraw/zinc/70/93/53/487709353.db2.gz XQLSOWADFWNUNA-UHFFFAOYSA-N 2 0 235.331 0.236 20 0 BCADRP COCC[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336714126 487721193 /nfs/dbraw/zinc/72/11/93/487721193.db2.gz VVOQXJQEHMYUTL-SDDRHHMPSA-N 2 0 212.337 0.953 20 0 BCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)[NH3+])C1 ZINC000669406691 487726176 /nfs/dbraw/zinc/72/61/76/487726176.db2.gz UOIGGHORXWWJAX-MNOVXSKESA-N 2 0 242.367 0.365 20 0 BCADRP COC(=O)CC(C)(C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904328885 584865899 /nfs/dbraw/zinc/86/58/99/584865899.db2.gz IQWVWPVSXCNPIJ-DTORHVGOSA-N 2 0 214.309 0.655 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)CC(C)(C)[NH3+] ZINC000082772436 487731354 /nfs/dbraw/zinc/73/13/54/487731354.db2.gz OYDACLHZKWMMPP-JTQLQIEISA-N 2 0 229.368 0.960 20 0 BCADRP C[NH2+]CCCN(C)C(=O)CC[NH2+]C(C)C ZINC000087471827 487733454 /nfs/dbraw/zinc/73/34/54/487733454.db2.gz FRMLMNRGUIPKCF-UHFFFAOYSA-N 2 0 215.341 0.442 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000250581044 487735881 /nfs/dbraw/zinc/73/58/81/487735881.db2.gz FZSMXPNFUIHNHQ-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)CC(C)(C)[NH3+] ZINC000226407170 487736880 /nfs/dbraw/zinc/73/68/80/487736880.db2.gz CRFCAHMMLAEWRM-UHFFFAOYSA-N 2 0 229.368 0.962 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000662851703 487737265 /nfs/dbraw/zinc/73/72/65/487737265.db2.gz CDMJARQJMIABCZ-JTQLQIEISA-N 2 0 239.363 0.857 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@H](C)C[NH+](CC)CC ZINC000417304199 487741712 /nfs/dbraw/zinc/74/17/12/487741712.db2.gz UAZYWMUAXVUEBH-LLVKDONJSA-N 2 0 244.383 0.625 20 0 BCADRP CC[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675499982 487742898 /nfs/dbraw/zinc/74/28/98/487742898.db2.gz VTXSDPRZPNKZDP-ZDUSSCGKSA-N 2 0 235.331 0.975 20 0 BCADRP Cc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc[nH+]1 ZINC000651451584 487744581 /nfs/dbraw/zinc/74/45/81/487744581.db2.gz PZJKXMURGVIAKH-CYBMUJFWSA-N 2 0 233.315 0.645 20 0 BCADRP OCCC[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000226438352 487747104 /nfs/dbraw/zinc/74/71/04/487747104.db2.gz VMPRFNNERROOSI-NSHDSACASA-N 2 0 212.337 0.833 20 0 BCADRP CNC(=O)[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000226438299 487747195 /nfs/dbraw/zinc/74/71/95/487747195.db2.gz VJDFQPGMRPFVAZ-MNOVXSKESA-N 2 0 225.336 0.054 20 0 BCADRP CC[C@@H](O)C[NH2+][C@H](CCC[NH3+])COC ZINC000233904334 487751476 /nfs/dbraw/zinc/75/14/76/487751476.db2.gz FDXWDLWDETUGLF-NXEZZACHSA-N 2 0 204.314 0.101 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000082920221 487752686 /nfs/dbraw/zinc/75/26/86/487752686.db2.gz MURJQCKILBMBJH-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])[NH+](C)C ZINC000082921102 487753108 /nfs/dbraw/zinc/75/31/08/487753108.db2.gz CCDCVDHXVQJULN-BBBLOLIVSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)CCC(C)(C)[NH3+] ZINC000069634181 487757309 /nfs/dbraw/zinc/75/73/09/487757309.db2.gz LNMFBSZPCLLRMY-UHFFFAOYSA-N 2 0 229.368 0.960 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674266814 487764157 /nfs/dbraw/zinc/76/41/57/487764157.db2.gz YUZCPNWTSNWINH-LBPRGKRZSA-N 2 0 241.379 0.737 20 0 BCADRP CO[C@H](C[NH2+][C@H](C)CC[NH+](C)C)[C@@H]1CCOC1 ZINC000668445000 487766134 /nfs/dbraw/zinc/76/61/34/487766134.db2.gz VEAABPVMXUIIHZ-JHJVBQTASA-N 2 0 244.379 0.968 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCOC1 ZINC000393850320 487776535 /nfs/dbraw/zinc/77/65/35/487776535.db2.gz QYCQDJVJRQWUFC-QWHCGFSZSA-N 2 0 244.379 0.656 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](C)[NH3+] ZINC000669416331 487798462 /nfs/dbraw/zinc/79/84/62/487798462.db2.gz NDGNASWTPXSMLH-VHSXEESVSA-N 2 0 230.356 0.363 20 0 BCADRP CC[C@H]1CN(Cc2cncn2C)CC[C@H]1[NH3+] ZINC000251862866 487803656 /nfs/dbraw/zinc/80/36/56/487803656.db2.gz SYUOJAKGDKADJN-CMPLNLGQSA-N 2 0 222.336 0.979 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1O ZINC000300024101 487804625 /nfs/dbraw/zinc/80/46/25/487804625.db2.gz KGUSIXBNGAYLRH-QJPTWQEYSA-N 2 0 230.352 0.633 20 0 BCADRP CC1CC[NH+](CCN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000676085802 487812618 /nfs/dbraw/zinc/81/26/18/487812618.db2.gz QZTLZGIILAOENB-OKILXGFUSA-N 2 0 237.391 0.870 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CC2)CC[N@@H+]1C ZINC000156095397 487813308 /nfs/dbraw/zinc/81/33/08/487813308.db2.gz PEAUOWBMRUJLTF-USWWRNFRSA-N 2 0 212.337 0.830 20 0 BCADRP [NH3+]CCC[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000414692630 487817823 /nfs/dbraw/zinc/81/78/23/487817823.db2.gz CXHSKYJFKFYVBP-CYBMUJFWSA-N 2 0 220.316 0.927 20 0 BCADRP CN(C[C@@H]1CCC[N@@H+]1C)C[C@H]1C[NH2+]CCO1 ZINC000252581759 487827132 /nfs/dbraw/zinc/82/71/32/487827132.db2.gz UANDYZQIPHZHPZ-NWDGAFQWSA-N 2 0 227.352 0.001 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000252599361 487827859 /nfs/dbraw/zinc/82/78/59/487827859.db2.gz KRZNIQOLKGCAMM-DCAQKATOSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)C[C@H]([NH3+])C1CC1 ZINC000834813314 587767342 /nfs/dbraw/zinc/76/73/42/587767342.db2.gz KHOLOWNXXGZRNB-WPRPVWTQSA-N 2 0 213.325 0.357 20 0 BCADRP CC[NH2+][C@H](C)C[NH2+]C1CCN(C(=O)OC)CC1 ZINC000495990870 528420057 /nfs/dbraw/zinc/42/00/57/528420057.db2.gz MIXKXINAHPBVGW-SNVBAGLBSA-N 2 0 243.351 0.805 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000565892208 322947808 /nfs/dbraw/zinc/94/78/08/322947808.db2.gz ABXAORJGGPZFBB-UWVGGRQHSA-N 2 0 235.331 0.745 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000389891710 487844618 /nfs/dbraw/zinc/84/46/18/487844618.db2.gz OAPRNXBACKJOBY-IUCAKERBSA-N 2 0 249.305 0.569 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000569341161 322951034 /nfs/dbraw/zinc/95/10/34/322951034.db2.gz GMSIDCWFHYEQCA-MMWGEVLESA-N 2 0 225.336 0.452 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659539299 487851194 /nfs/dbraw/zinc/85/11/94/487851194.db2.gz CZURVABNZWSVKI-UWVGGRQHSA-N 2 0 242.367 0.363 20 0 BCADRP COC[C@@H](C[NH+]1CCC([NH3+])CC1)OC ZINC000234687187 487853322 /nfs/dbraw/zinc/85/33/22/487853322.db2.gz PXOXLRWVPDFRDQ-SNVBAGLBSA-N 2 0 202.298 0.071 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000373068807 487857549 /nfs/dbraw/zinc/85/75/49/487857549.db2.gz GUSIGUTVCNCNLO-SRRSOLGSSA-N 2 0 237.347 0.195 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)N(C)CC[NH3+] ZINC000652225336 487883534 /nfs/dbraw/zinc/88/35/34/487883534.db2.gz WMAHVFYAZSVVBE-UHFFFAOYSA-N 2 0 244.383 0.564 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652225176 487883614 /nfs/dbraw/zinc/88/36/14/487883614.db2.gz SBDAOGGMVCPTSY-ZJUUUORDSA-N 2 0 242.367 0.540 20 0 BCADRP CC[NH+]1CCC(CNC(=O)NC[C@H](C)[NH3+])CC1 ZINC000669443164 487886849 /nfs/dbraw/zinc/88/68/49/487886849.db2.gz FRHRPINPXNQROY-JTQLQIEISA-N 2 0 242.367 0.365 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)[NH3+] ZINC000669451458 487896353 /nfs/dbraw/zinc/89/63/53/487896353.db2.gz HAXUPNLVWOZWKM-UWVGGRQHSA-N 2 0 230.356 0.363 20 0 BCADRP CN(C(=O)[C@H]1CCC[NH2+]CC1)[C@H](C[NH3+])C1CC1 ZINC000653162324 487904166 /nfs/dbraw/zinc/90/41/66/487904166.db2.gz AISOIDKASRETJG-NWDGAFQWSA-N 2 0 239.363 0.572 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCC[NH2+]1 ZINC000157211248 487907032 /nfs/dbraw/zinc/90/70/32/487907032.db2.gz SZHOSNJOPBWCLC-TUAOUCFPSA-N 2 0 237.347 0.481 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000669462778 487909499 /nfs/dbraw/zinc/90/94/99/487909499.db2.gz FQKHNRIEGSQXEY-BDAKNGLRSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@H]1C[C@@H](C[NH2+]C[C@@H]2C[C@H](F)CN2)CC[NH2+]1 ZINC000666947579 487911451 /nfs/dbraw/zinc/91/14/51/487911451.db2.gz BOWPRVCGHILERM-BJDJZHNGSA-N 2 0 229.343 0.664 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CC[NH2+]C ZINC000417005530 487914141 /nfs/dbraw/zinc/91/41/41/487914141.db2.gz IWBBFERMTKCOIA-LLVKDONJSA-N 2 0 244.383 0.578 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000157726881 487918966 /nfs/dbraw/zinc/91/89/66/487918966.db2.gz IEVOZWRWVGXTGM-GHMZBOCLSA-N 2 0 237.347 0.611 20 0 BCADRP CC[NH+](CC)CCCNC(=O)NC[C@H](C)[NH3+] ZINC000668546048 487919668 /nfs/dbraw/zinc/91/96/68/487919668.db2.gz XOUUELLBAGZPFH-JTQLQIEISA-N 2 0 230.356 0.365 20 0 BCADRP O=C(C[NH2+]C1CC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157800124 487921381 /nfs/dbraw/zinc/92/13/81/487921381.db2.gz RXSKOXKTZIQRGW-VXGBXAGGSA-N 2 0 237.347 0.481 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](C)C[NH3+] ZINC000417282718 487922642 /nfs/dbraw/zinc/92/26/42/487922642.db2.gz BBRYQDSYJCYMNC-NXEZZACHSA-N 2 0 230.356 0.363 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000417285129 487922798 /nfs/dbraw/zinc/92/27/98/487922798.db2.gz GQXXQPGWGKGVJZ-WDEREUQCSA-N 2 0 244.383 0.753 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](C)CC[NH3+] ZINC000417306149 487923641 /nfs/dbraw/zinc/92/36/41/487923641.db2.gz ZMLYCBKPIYHBGK-GHMZBOCLSA-N 2 0 244.383 0.753 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@H]([NH3+])C1 ZINC000417295602 487923659 /nfs/dbraw/zinc/92/36/59/487923659.db2.gz FIOYOWVHPGZOAK-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](C)C[NH3+] ZINC000417301495 487923707 /nfs/dbraw/zinc/92/37/07/487923707.db2.gz PSXJYLYTCZVMOP-MNOVXSKESA-N 2 0 244.383 0.611 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)NCCC[NH3+] ZINC000417297690 487923779 /nfs/dbraw/zinc/92/37/79/487923779.db2.gz JFHBADQYPGCMGE-JTQLQIEISA-N 2 0 230.356 0.365 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000652335870 487924530 /nfs/dbraw/zinc/92/45/30/487924530.db2.gz MXKXLARGEDZUMG-MNOVXSKESA-N 2 0 200.326 0.689 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](C)C1 ZINC000652335871 487924546 /nfs/dbraw/zinc/92/45/46/487924546.db2.gz MXKXLARGEDZUMG-QWRGUYRKSA-N 2 0 200.326 0.689 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)[NH+](C)C ZINC000679354762 487927226 /nfs/dbraw/zinc/92/72/26/487927226.db2.gz ZNHZVHLGTLQRJQ-SDDRHHMPSA-N 2 0 239.363 0.489 20 0 BCADRP [NH3+]CCN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652364130 487933335 /nfs/dbraw/zinc/93/33/35/487933335.db2.gz ZBIBWFNUHDGDTP-IJLUTSLNSA-N 3 0 227.352 0.306 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659555629 487936542 /nfs/dbraw/zinc/93/65/42/487936542.db2.gz NFJKWINZGFIEDO-RKDXNWHRSA-N 2 0 230.356 0.491 20 0 BCADRP C[C@@]1(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CCC[NH2+]C1 ZINC000449385922 487945496 /nfs/dbraw/zinc/94/54/96/487945496.db2.gz RVCGIGVNAWLUAN-NTZNESFSSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000417809033 487956597 /nfs/dbraw/zinc/95/65/97/487956597.db2.gz APJHFTHLXMKGNP-KKOKHZNYSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000566206312 322969105 /nfs/dbraw/zinc/96/91/05/322969105.db2.gz WZPGPVVBXTXRSC-FOGDFJRCSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000569604867 322972428 /nfs/dbraw/zinc/97/24/28/322972428.db2.gz COPBMGVYENNFST-AAEUAGOBSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000564947241 322976818 /nfs/dbraw/zinc/97/68/18/322976818.db2.gz DOAQKNDANMBDHP-UWVGGRQHSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)[C@@H]2CC[NH2+]C2)C1 ZINC000561182735 322996619 /nfs/dbraw/zinc/99/66/19/322996619.db2.gz OOXYMJABYVCVGS-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000561195005 322996909 /nfs/dbraw/zinc/99/69/09/322996909.db2.gz QPHNZJBZOURPED-DGCLKSJQSA-N 2 0 247.342 0.727 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000566620015 323007336 /nfs/dbraw/zinc/00/73/36/323007336.db2.gz XKVLFEWUKFWBIL-WHOHXGKFSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H](C)[NH3+] ZINC000566859328 323020427 /nfs/dbraw/zinc/02/04/27/323020427.db2.gz TXUHRYSXDXRSNN-XLPZGREQSA-N 2 0 201.314 0.212 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000562805365 323030916 /nfs/dbraw/zinc/03/09/16/323030916.db2.gz MZMDOHKUNHOVQI-ZDUSSCGKSA-N 2 0 249.358 0.672 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000562809211 323031133 /nfs/dbraw/zinc/03/11/33/323031133.db2.gz CXTPKVWRDCFVJI-DDHJBXDOSA-N 2 0 239.363 0.428 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000562809513 323031269 /nfs/dbraw/zinc/03/12/69/323031269.db2.gz XILVIBHZJBQNOY-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP CCC[NH2+]CCNC(=O)NCCC[NH2+]CC ZINC000562812983 323031342 /nfs/dbraw/zinc/03/13/42/323031342.db2.gz WKUXRVLQBHFVGK-UHFFFAOYSA-N 2 0 230.356 0.285 20 0 BCADRP [NH3+]CCCN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000565225992 323034547 /nfs/dbraw/zinc/03/45/47/323034547.db2.gz IHDSCYJGAFARDA-ZDUSSCGKSA-N 3 0 241.379 0.522 20 0 BCADRP O=C(CC1CC[NH2+]CC1)NC[C@H]1CCC[NH2+]C1 ZINC000569720849 323038605 /nfs/dbraw/zinc/03/86/05/323038605.db2.gz LROYGESECYRVOW-LBPRGKRZSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC[NH2+]C1 ZINC000569723091 323038807 /nfs/dbraw/zinc/03/88/07/323038807.db2.gz BLLXUPITKMLJAW-LOWVWBTDSA-N 2 0 237.347 0.054 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000569938103 323044929 /nfs/dbraw/zinc/04/49/29/323044929.db2.gz SFWJSRACXGTVNB-NXEZZACHSA-N 2 0 214.309 0.751 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000570089721 323049476 /nfs/dbraw/zinc/04/94/76/323049476.db2.gz WRMMHKMDZYZVHM-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000570103653 323049876 /nfs/dbraw/zinc/04/98/76/323049876.db2.gz AMQOFXXXTPAATC-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP COCC[NH2+]C1CC[NH+](C[C@@H](C)COC)CC1 ZINC000570167137 323051790 /nfs/dbraw/zinc/05/17/90/323051790.db2.gz VKCIMJIYDPFNPB-GFCCVEGCSA-N 2 0 244.379 0.969 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C ZINC000570201739 323052540 /nfs/dbraw/zinc/05/25/40/323052540.db2.gz FLVBJOJTRKIGDK-QWRGUYRKSA-N 2 0 232.368 0.560 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000570278737 323054806 /nfs/dbraw/zinc/05/48/06/323054806.db2.gz JOUSKXOPIBUWIA-KGYLQXTDSA-N 2 0 247.342 0.943 20 0 BCADRP [NH3+]CCOCCN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000570451312 323059915 /nfs/dbraw/zinc/05/99/15/323059915.db2.gz HDVWQLGDBBNDGH-AWEZNQCLSA-N 2 0 249.358 0.520 20 0 BCADRP CN1CC[NH2+]C[C@@H]1CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000570507429 323061345 /nfs/dbraw/zinc/06/13/45/323061345.db2.gz BKVDSSARRSILCM-UPJWGTAASA-N 2 0 240.395 0.140 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CCCC[NH3+] ZINC000570516267 323061510 /nfs/dbraw/zinc/06/15/10/323061510.db2.gz SUBYWAYVQWGHDA-QWRGUYRKSA-N 2 0 227.352 0.844 20 0 BCADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000570513371 323061885 /nfs/dbraw/zinc/06/18/85/323061885.db2.gz SMSKBEVKIAPMBQ-GVXVVHGQSA-N 2 0 237.347 0.102 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000570570892 323063608 /nfs/dbraw/zinc/06/36/08/323063608.db2.gz JNYBEPOHZVZATO-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000570710056 323068123 /nfs/dbraw/zinc/06/81/23/323068123.db2.gz CALJPLMTDHGEAB-YFKTTZPYSA-N 2 0 239.363 0.748 20 0 BCADRP [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000570710053 323068202 /nfs/dbraw/zinc/06/82/02/323068202.db2.gz CALJPLMTDHGEAB-IRCOFANPSA-N 2 0 239.363 0.748 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000570802154 323070816 /nfs/dbraw/zinc/07/08/16/323070816.db2.gz MJODGTGKLGXWGO-ZYHUDNBSSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CCCC[NH3+])CC[N@@H+]1C ZINC000157876509 323071039 /nfs/dbraw/zinc/07/10/39/323071039.db2.gz MLPBAVRJPGXXPH-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH3+] ZINC000570840801 323072348 /nfs/dbraw/zinc/07/23/48/323072348.db2.gz IQAKMCPLHGMOEH-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP C[C@@H](Cn1cncn1)[NH2+]CC1CC[NH2+]CC1 ZINC000570843881 323072493 /nfs/dbraw/zinc/07/24/93/323072493.db2.gz VTANUOPUOBHOJI-JTQLQIEISA-N 2 0 223.324 0.256 20 0 BCADRP [NH3+]C[C@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000570841821 323072547 /nfs/dbraw/zinc/07/25/47/323072547.db2.gz NQJHYSFCOVPGDV-WUHRBBMRSA-N 2 0 245.326 0.063 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CC[C@](C)(F)C1 ZINC000572659707 323072696 /nfs/dbraw/zinc/07/26/96/323072696.db2.gz NWSIMJGKJXQGCQ-MNOVXSKESA-N 2 0 218.316 0.733 20 0 BCADRP C[C@]1(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC[NH2+]C1 ZINC000562976600 323077735 /nfs/dbraw/zinc/07/77/35/323077735.db2.gz JNPDLEZUTYDHII-ZPFDUUQYSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000562976837 323077753 /nfs/dbraw/zinc/07/77/53/323077753.db2.gz UEYQPUVBKXJCKM-OUAUKWLOSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@]1(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC[NH2+]C1 ZINC000562976599 323077755 /nfs/dbraw/zinc/07/77/55/323077755.db2.gz JNPDLEZUTYDHII-WGBDABJCSA-N 2 0 237.347 0.182 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000309493768 323082153 /nfs/dbraw/zinc/08/21/53/323082153.db2.gz STOTVLLCUFBSEN-ZJUUUORDSA-N 2 0 215.341 0.476 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCC1([NH3+])CCC1 ZINC000563086950 323090692 /nfs/dbraw/zinc/09/06/92/323090692.db2.gz XEMLOHUDALMGPE-MRVPVSSYSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000563088882 323091417 /nfs/dbraw/zinc/09/14/17/323091417.db2.gz LCNOOLYTRKSOIZ-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000563093168 323091838 /nfs/dbraw/zinc/09/18/38/323091838.db2.gz XSZWDJZSRGJWOY-VHSXEESVSA-N 2 0 230.356 0.411 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CC(F)F ZINC000563101431 323092347 /nfs/dbraw/zinc/09/23/47/323092347.db2.gz HOVFSMBFNPMIHO-JGVFFNPUSA-N 2 0 237.294 0.603 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CC(F)F ZINC000563101428 323092394 /nfs/dbraw/zinc/09/23/94/323092394.db2.gz HOVFSMBFNPMIHO-HTQZYQBOSA-N 2 0 237.294 0.603 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC(F)F ZINC000563101432 323092418 /nfs/dbraw/zinc/09/24/18/323092418.db2.gz HOVFSMBFNPMIHO-SFYZADRCSA-N 2 0 237.294 0.603 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000563100200 323092424 /nfs/dbraw/zinc/09/24/24/323092424.db2.gz VLJJFGCJEFRHFX-GHMZBOCLSA-N 2 0 225.336 0.054 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000563106136 323092675 /nfs/dbraw/zinc/09/26/75/323092675.db2.gz WQOCGXJPFJRXIU-VWYCJHECSA-N 2 0 227.352 0.428 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000563105726 323092716 /nfs/dbraw/zinc/09/27/16/323092716.db2.gz RGZBEKFHMJJLFK-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP [NH3+][C@H](CC(=O)N1CC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000563107049 323092781 /nfs/dbraw/zinc/09/27/81/323092781.db2.gz QZOFVCXROJCQQW-OLZOCXBDSA-N 2 0 247.342 0.506 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000563109162 323093040 /nfs/dbraw/zinc/09/30/40/323093040.db2.gz ZMFXUZICBYECDK-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000563109415 323093048 /nfs/dbraw/zinc/09/30/48/323093048.db2.gz CPPVTOMCVQJXMM-QWRGUYRKSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000563118719 323093719 /nfs/dbraw/zinc/09/37/19/323093719.db2.gz BWBRCNPAYNAPOG-HLTSFMKQSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CSCN1)[C@@H]1CCC[NH2+]C1 ZINC000563142865 323095194 /nfs/dbraw/zinc/09/51/94/323095194.db2.gz QHFJXXLKIIYDQK-AEJSXWLSSA-N 2 0 243.376 0.153 20 0 BCADRP C[NH2+]C[C@H]1CCCN1CCOC[C@H]1CCCO1 ZINC000563154740 323095736 /nfs/dbraw/zinc/09/57/36/323095736.db2.gz VKIAIFGQQVCVQX-CHWSQXEVSA-N 2 0 242.363 0.866 20 0 BCADRP CCN(C)C(=O)CCN(C)[C@@H]1CC[NH2+]C1 ZINC000563153029 323095920 /nfs/dbraw/zinc/09/59/20/323095920.db2.gz JQBGFFXWGVWUSG-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000563168841 323099764 /nfs/dbraw/zinc/09/97/64/323099764.db2.gz AVSPMTPYBNNKHW-RCWTZXSCSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000563171323 323099888 /nfs/dbraw/zinc/09/98/88/323099888.db2.gz WEPVDXQCFIUGJN-XHNCKOQMSA-N 2 0 213.325 0.369 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000563211233 323102041 /nfs/dbraw/zinc/10/20/41/323102041.db2.gz VGPMKMBQJILKRP-PHIMTYICSA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)[C@@H]1CCCO1 ZINC000571058033 323106185 /nfs/dbraw/zinc/10/61/85/323106185.db2.gz KPGKRGGBUKXLOR-AVGNSLFASA-N 2 0 244.379 0.846 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1ccccc1CC[NH3+] ZINC000563339610 323119252 /nfs/dbraw/zinc/11/92/52/323119252.db2.gz VBSMYUVXHGBPLD-UWVGGRQHSA-N 2 0 235.331 0.653 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000310016923 323126585 /nfs/dbraw/zinc/12/65/85/323126585.db2.gz LFQNBOMYFOAANR-SNVBAGLBSA-N 2 0 213.325 0.243 20 0 BCADRP CCOC1CC(O)(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000563549650 323129910 /nfs/dbraw/zinc/12/99/10/323129910.db2.gz SEHVOOIMOMPPMQ-ZFDZMSFRSA-N 2 0 242.363 0.776 20 0 BCADRP C[C@]1(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC000563622004 323132041 /nfs/dbraw/zinc/13/20/41/323132041.db2.gz CBIPRZAJRSBBRG-XQQFMLRXSA-N 2 0 223.364 0.527 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000563622971 323132154 /nfs/dbraw/zinc/13/21/54/323132154.db2.gz IHNOWMBEZRCVLN-GDPRMGEGSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000563622984 323132182 /nfs/dbraw/zinc/13/21/82/323132182.db2.gz IHNOWMBEZRCVLN-JMJZKYOTSA-N 2 0 225.336 0.310 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1C[C@@H](C)OC(C)(C)C1 ZINC000310493691 323132443 /nfs/dbraw/zinc/13/24/43/323132443.db2.gz GLTXVZWKRXZJPZ-NEPJUHHUSA-N 2 0 244.379 0.798 20 0 BCADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)C2CC2)C1 ZINC000563629824 323132649 /nfs/dbraw/zinc/13/26/49/323132649.db2.gz HFIDQKMFGMKDSJ-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP CN1CC[C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000563635634 323133128 /nfs/dbraw/zinc/13/31/28/323133128.db2.gz LBZWURHMUADQFJ-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000571082038 323135031 /nfs/dbraw/zinc/13/50/31/323135031.db2.gz LBQRRBMBGSVKRU-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP O=C(C1CC[NH2+]CC1)N1CC[NH+]2CCC1CC2 ZINC000571079744 323135078 /nfs/dbraw/zinc/13/50/78/323135078.db2.gz CDCMKTCEHUYFSL-UHFFFAOYSA-N 2 0 237.347 0.293 20 0 BCADRP C[C@@H]1C[C@@H](C[NH2+]C(C)(C)C(=O)N(C)C)CC[NH2+]1 ZINC000571146954 323136528 /nfs/dbraw/zinc/13/65/28/323136528.db2.gz WAUHRJIQQNPYCM-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CC(F)F ZINC000571165687 323137311 /nfs/dbraw/zinc/13/73/11/323137311.db2.gz HMLCDPJXFBMRHL-RQJHMYQMSA-N 2 0 237.294 0.459 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[NH2+]C(C)(C)C ZINC000571281603 323140017 /nfs/dbraw/zinc/14/00/17/323140017.db2.gz HZESBYRRHIKPRS-MRVPVSSYSA-N 2 0 201.314 0.086 20 0 BCADRP O=C([C@H]1C[C@]12CC[NH2+]C2)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000571282679 323140169 /nfs/dbraw/zinc/14/01/69/323140169.db2.gz RXRWLOAMHXTMBB-CZXHOFHRSA-N 2 0 249.358 0.339 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)NCC[C@H]1CCC[NH2+]1 ZINC000571282812 323140191 /nfs/dbraw/zinc/14/01/91/323140191.db2.gz RSTUIXFKLOHJBK-VXGBXAGGSA-N 2 0 239.363 0.634 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000571313435 323140964 /nfs/dbraw/zinc/14/09/64/323140964.db2.gz VGJZQIZQZBTQBB-VWYCJHECSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@H](CNC(=O)C1([NH3+])CCC1)[NH+]1CCCC1 ZINC000161013249 323143095 /nfs/dbraw/zinc/14/30/95/323143095.db2.gz SMVZCJRGFOXLIO-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000571402808 323143723 /nfs/dbraw/zinc/14/37/23/323143723.db2.gz FTWRBTWNNXETHW-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CCSC2)C1 ZINC000571462843 323145495 /nfs/dbraw/zinc/14/54/95/323145495.db2.gz ZIEIRZNJULJHAF-GMTAPVOTSA-N 2 0 230.377 0.714 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000571521914 323146809 /nfs/dbraw/zinc/14/68/09/323146809.db2.gz BTAJPTVOGXAADG-STQMWFEESA-N 2 0 242.363 0.853 20 0 BCADRP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000571539639 323147694 /nfs/dbraw/zinc/14/76/94/323147694.db2.gz ZAYKYKOXNKMLGY-TUAOUCFPSA-N 2 0 239.363 0.857 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000571573340 323148217 /nfs/dbraw/zinc/14/82/17/323148217.db2.gz ZDAIGEMWWAWZBW-VWYCJHECSA-N 2 0 200.326 0.687 20 0 BCADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH+](C)C ZINC000571579715 323148347 /nfs/dbraw/zinc/14/83/47/323148347.db2.gz KJWJCBVAORVXAV-NWDGAFQWSA-N 2 0 241.379 0.642 20 0 BCADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH+](C)C ZINC000571579717 323148463 /nfs/dbraw/zinc/14/84/63/323148463.db2.gz KJWJCBVAORVXAV-VXGBXAGGSA-N 2 0 241.379 0.642 20 0 BCADRP CC[C@@H](C)[C@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000319460250 323149000 /nfs/dbraw/zinc/14/90/00/323149000.db2.gz BJUXXLNEOKEIFV-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000563712759 323175029 /nfs/dbraw/zinc/17/50/29/323175029.db2.gz KEBSYUXPBKEIFC-AXFHLTTASA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000572869362 323176339 /nfs/dbraw/zinc/17/63/39/323176339.db2.gz RXHYVWNAAKRTTI-VWYCJHECSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H](C(=O)N[C@H](C[NH3+])C1CCCC1)C1C[NH2+]C1 ZINC000563885585 323183277 /nfs/dbraw/zinc/18/32/77/323183277.db2.gz CBUOGQMLOFKBIQ-JOYOIKCWSA-N 2 0 239.363 0.476 20 0 BCADRP CCO[C@H]1C[C@](N)(c2nc(CN)no2)C1(C)C ZINC000563885600 323183304 /nfs/dbraw/zinc/18/33/04/323183304.db2.gz DLWAUWLSJODDSR-CPCISQLKSA-N 2 0 240.307 0.517 20 0 BCADRP CCO[C@@H]1C[C@@](N)(c2nc(CN)no2)C1(C)C ZINC000563885602 323183307 /nfs/dbraw/zinc/18/33/07/323183307.db2.gz DLWAUWLSJODDSR-RDDDGLTNSA-N 2 0 240.307 0.517 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530216872 323217176 /nfs/dbraw/zinc/21/71/76/323217176.db2.gz QSIBBZCXLBPGDW-TUAOUCFPSA-N 2 0 223.364 0.988 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[NH3+] ZINC000395683967 323237667 /nfs/dbraw/zinc/23/76/67/323237667.db2.gz PEUGBPMHBKBAAY-QMMMGPOBSA-N 2 0 201.314 0.086 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)C1(C)C[NH2+]C1 ZINC000563955541 323334372 /nfs/dbraw/zinc/33/43/72/323334372.db2.gz KMYTVJGBMLQABE-UHFFFAOYSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NCC2CC[NH2+]CC2)C1 ZINC000563945770 323329858 /nfs/dbraw/zinc/32/98/58/323329858.db2.gz NQPDUXFCDVNVBZ-JQWIXIFHSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1(C)C[NH2+]C1 ZINC000399490450 323336735 /nfs/dbraw/zinc/33/67/35/323336735.db2.gz SXZVASLZTRDVRJ-NSHDSACASA-N 2 0 241.379 0.688 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000563975938 323337005 /nfs/dbraw/zinc/33/70/05/323337005.db2.gz KISDNDDDTVFLRA-WCQYABFASA-N 2 0 247.342 0.767 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000309493178 323417028 /nfs/dbraw/zinc/41/70/28/323417028.db2.gz SQNWTOWUTTXISF-IVZWLZJFSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000571773077 323476126 /nfs/dbraw/zinc/47/61/26/323476126.db2.gz YYKCTHGZNRIXJB-VWYCJHECSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCCNc1cc[nH+]cc1 ZINC000571795440 323481923 /nfs/dbraw/zinc/48/19/23/323481923.db2.gz YPVZWBSTLCZYPL-JTQLQIEISA-N 2 0 248.330 0.172 20 0 BCADRP CSCC[C@H](CO)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000571938872 323510062 /nfs/dbraw/zinc/51/00/62/323510062.db2.gz IRPATMCVXBDBGX-GARJFASQSA-N 2 0 232.393 0.960 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000572001540 323521431 /nfs/dbraw/zinc/52/14/31/323521431.db2.gz IIDKCDYXYVYSBX-JTQLQIEISA-N 2 0 248.330 0.582 20 0 BCADRP O[C@H](C[NH2+]CCC1CC1)C[NH+]1CCCC1 ZINC000083894807 487961223 /nfs/dbraw/zinc/96/12/23/487961223.db2.gz MCZPWHGREPAJOF-GFCCVEGCSA-N 2 0 212.337 0.833 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000399523578 324082412 /nfs/dbraw/zinc/08/24/12/324082412.db2.gz PPHLRSBWSCJMMK-NXEZZACHSA-N 2 0 215.341 0.284 20 0 BCADRP CCC(CC)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000514783632 324112658 /nfs/dbraw/zinc/11/26/58/324112658.db2.gz LNWXHDYMIUTAAF-LLVKDONJSA-N 2 0 242.367 0.459 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000572482392 324123962 /nfs/dbraw/zinc/12/39/62/324123962.db2.gz QGVVLFNKJIEBFS-ZJUUUORDSA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@H](C(=O)N(C)CC[NH+]1CCCC1)[NH+](C)C ZINC000162958539 324171189 /nfs/dbraw/zinc/17/11/89/324171189.db2.gz VLFFKRXSGVXHQN-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@H](C)O ZINC000567588644 324198080 /nfs/dbraw/zinc/19/80/80/324198080.db2.gz DLGPJPVCSLHKDO-WDEREUQCSA-N 2 0 218.341 0.050 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H](C)CC[NH3+] ZINC000529337835 324275802 /nfs/dbraw/zinc/27/58/02/324275802.db2.gz QBEKSLFMINTGSN-WDEREUQCSA-N 2 0 242.367 0.363 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529347329 324277823 /nfs/dbraw/zinc/27/78/23/324277823.db2.gz CGYYQYVTIQVDLM-VHSXEESVSA-N 2 0 240.351 0.260 20 0 BCADRP [NH3+]CC1(CN[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530243982 324555030 /nfs/dbraw/zinc/55/50/30/324555030.db2.gz JYEMJMZAEIFOCU-JTQLQIEISA-N 2 0 209.337 0.600 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H]([NH3+])CC ZINC000130577624 325067725 /nfs/dbraw/zinc/06/77/25/325067725.db2.gz JEXPBPLRXJLOTC-SNVBAGLBSA-N 2 0 215.341 0.572 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000130602011 325071897 /nfs/dbraw/zinc/07/18/97/325071897.db2.gz IAVMYAIXWWZNCE-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP COC[C@@H](C)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000131699420 325178552 /nfs/dbraw/zinc/17/85/52/325178552.db2.gz UPDNTZCPUKLSRK-ZDUSSCGKSA-N 2 0 243.395 0.496 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000131869867 325188287 /nfs/dbraw/zinc/18/82/87/325188287.db2.gz JTSWTDYVSXZGJI-DGCLKSJQSA-N 2 0 249.358 0.528 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](C)[NH3+] ZINC000132002248 325194613 /nfs/dbraw/zinc/19/46/13/325194613.db2.gz RQNLZDLCRNWXMJ-IUCAKERBSA-N 2 0 201.314 0.165 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132937372 325254652 /nfs/dbraw/zinc/25/46/52/325254652.db2.gz DIDCVDIMUICVEU-NEPJUHHUSA-N 2 0 241.379 0.973 20 0 BCADRP Cn1cncc1CC(=O)NCCC[NH+](C)C ZINC000547603441 325373593 /nfs/dbraw/zinc/37/35/93/325373593.db2.gz FNYDFQZMFKUHAJ-UHFFFAOYSA-N 2 0 224.308 0.031 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC([NH+](C)C)C1 ZINC000135018676 325388688 /nfs/dbraw/zinc/38/86/88/325388688.db2.gz YHSJCFOFOYUOGZ-UHFFFAOYSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000092950439 325728276 /nfs/dbraw/zinc/72/82/76/325728276.db2.gz WQNYABZGDYUFAR-CMPLNLGQSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000092950442 325728323 /nfs/dbraw/zinc/72/83/23/325728323.db2.gz WQNYABZGDYUFAR-PWSUYJOCSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000564995443 325843094 /nfs/dbraw/zinc/84/30/94/325843094.db2.gz UNFOEYMJVSVRBJ-NQBHXWOUSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000565003619 325845128 /nfs/dbraw/zinc/84/51/28/325845128.db2.gz LAGKJCJKYFVSGU-GVXVVHGQSA-N 2 0 249.358 0.798 20 0 BCADRP O=C(N1CC[C@H]([NH+]2CCCC2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000565035132 325848960 /nfs/dbraw/zinc/84/89/60/325848960.db2.gz RJVVUXHCRMHVMK-DYEKYZERSA-N 2 0 249.358 0.435 20 0 BCADRP C[NH2+]CCN(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565092795 325856944 /nfs/dbraw/zinc/85/69/44/325856944.db2.gz GDBCTAWKZCQBLZ-UHFFFAOYSA-N 2 0 233.359 0.984 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC000565373364 325903285 /nfs/dbraw/zinc/90/32/85/325903285.db2.gz BXJQDJPYVPMUTF-LLVKDONJSA-N 2 0 227.352 0.557 20 0 BCADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[NH2+]C1 ZINC000566100434 325994808 /nfs/dbraw/zinc/99/48/08/325994808.db2.gz SDTNCJSEKZCMOP-NSHDSACASA-N 2 0 237.347 0.435 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000566197546 326011381 /nfs/dbraw/zinc/01/13/81/326011381.db2.gz ICHNIEPDBIGHRD-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000566200785 326011916 /nfs/dbraw/zinc/01/19/16/326011916.db2.gz BUFWUJYCDMQNBG-SECBINFHSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000566200462 326012063 /nfs/dbraw/zinc/01/20/63/326012063.db2.gz WGVXFYTVSMJUBL-BDAKNGLRSA-N 2 0 213.325 0.099 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]([NH3+])C(C)C)C1 ZINC000566203555 326012300 /nfs/dbraw/zinc/01/23/00/326012300.db2.gz MGLYDUHMNSNTNF-WDEREUQCSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000566203289 326012476 /nfs/dbraw/zinc/01/24/76/326012476.db2.gz DOUZGUYBIFRISI-GHMZBOCLSA-N 2 0 237.347 0.196 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000566203296 326012516 /nfs/dbraw/zinc/01/25/16/326012516.db2.gz DQWHPCQLZOMSSF-SECBINFHSA-N 2 0 213.325 0.243 20 0 BCADRP CC1(CNC(=O)[C@@H]([NH3+])C2CCC2)CC[NH2+]CC1 ZINC000566206893 326012966 /nfs/dbraw/zinc/01/29/66/326012966.db2.gz BGQFKLUXIXFXDA-NSHDSACASA-N 2 0 239.363 0.620 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000566207234 326013017 /nfs/dbraw/zinc/01/30/17/326013017.db2.gz AXSMSWJOYWVCSV-OPRDCNLKSA-N 2 0 213.325 0.099 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000566206056 326013053 /nfs/dbraw/zinc/01/30/53/326013053.db2.gz MDHGRDMRDRSPJC-MNOVXSKESA-N 2 0 227.352 0.631 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000566213316 326014856 /nfs/dbraw/zinc/01/48/56/326014856.db2.gz ZXQVXJAWYBGCTA-AXFHLTTASA-N 2 0 227.352 0.748 20 0 BCADRP C[NH2+][C@H](C)Cc1noc(-c2c[nH+]ccc2N)n1 ZINC000566214735 326015197 /nfs/dbraw/zinc/01/51/97/326015197.db2.gz RZCLEQOHQSVMPC-SSDOTTSWSA-N 2 0 233.275 0.695 20 0 BCADRP [NH3+]CC1(O)CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000566245194 326022513 /nfs/dbraw/zinc/02/25/13/326022513.db2.gz FSUAAANJVXIANH-UHFFFAOYSA-N 3 0 241.379 0.162 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000566259470 326026189 /nfs/dbraw/zinc/02/61/89/326026189.db2.gz YFPVXMQLHJCMPU-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566290049 326029795 /nfs/dbraw/zinc/02/97/95/326029795.db2.gz ZSGJGTVWMGBOAA-AOOOYVTPSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]1CN(CC[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)CCO1 ZINC000566412294 326041149 /nfs/dbraw/zinc/04/11/49/326041149.db2.gz DWSPMIBWYDANHM-XQQFMLRXSA-N 2 0 241.379 0.519 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000566614111 326068009 /nfs/dbraw/zinc/06/80/09/326068009.db2.gz LGFHTRQDOOIWCB-IJLUTSLNSA-N 2 0 211.353 0.846 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CO)[C@@H]2CCCOC2)C1 ZINC000566688858 326074679 /nfs/dbraw/zinc/07/46/79/326074679.db2.gz JWMZGKCNGVNTQX-FVCCEPFGSA-N 2 0 242.363 0.633 20 0 BCADRP C[C@@H]1CC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000566790748 326082566 /nfs/dbraw/zinc/08/25/66/326082566.db2.gz JXNDRCLXZNPTHC-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000566794842 326082601 /nfs/dbraw/zinc/08/26/01/326082601.db2.gz GFMALQAUTAXZPG-IVZWLZJFSA-N 2 0 228.340 0.245 20 0 BCADRP O=C(NCCC[C@H]1CCC[NH2+]1)[C@]12C[C@H]1CC[NH2+]2 ZINC000566791761 326082640 /nfs/dbraw/zinc/08/26/40/326082640.db2.gz ORXHNVPNEGAWLU-WZRBSPASSA-N 2 0 237.347 0.387 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)C1([NH3+])CC1 ZINC000566797420 326083942 /nfs/dbraw/zinc/08/39/42/326083942.db2.gz HLTRGXONRUTLDL-UHFFFAOYSA-N 2 0 211.309 0.030 20 0 BCADRP C[C@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)CCC[NH2+]C1 ZINC000566855302 326088500 /nfs/dbraw/zinc/08/85/00/326088500.db2.gz DTFMQJXSCCRVTD-AAEUAGOBSA-N 2 0 239.363 0.492 20 0 BCADRP COC[C@@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000566915619 326094002 /nfs/dbraw/zinc/09/40/02/326094002.db2.gz NTHAAHPEVDGFBR-RTXFEEFZSA-N 2 0 242.363 0.850 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@]34C[C@H]3CC[NH2+]4)C[C@@H]21 ZINC000566968229 326097170 /nfs/dbraw/zinc/09/71/70/326097170.db2.gz LBUFBYZQNXBWRW-DIACKHNESA-N 2 0 249.358 0.324 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCc1ccc(C[NH3+])cc1 ZINC000566974635 326098743 /nfs/dbraw/zinc/09/87/43/326098743.db2.gz CXNCBAVSIJELLU-JTQLQIEISA-N 2 0 235.331 0.889 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000567030813 326103974 /nfs/dbraw/zinc/10/39/74/326103974.db2.gz HOENWWBRXXZJQX-AXFHLTTASA-N 2 0 227.352 0.474 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H]1CCC[NH2+]C1 ZINC000567047688 326106170 /nfs/dbraw/zinc/10/61/70/326106170.db2.gz RPYAMHVRXDNBMO-NWDGAFQWSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567108373 326117268 /nfs/dbraw/zinc/11/72/68/326117268.db2.gz KNOGCDBRFPOZQI-GMTAPVOTSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]1CN(C(=O)C[NH2+]CC2CC2)CC[C@@H]1[NH3+] ZINC000567165201 326124947 /nfs/dbraw/zinc/12/49/47/326124947.db2.gz STAIGZPSOJWTPB-ONGXEEELSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1CN(C(=O)C[NH2+]CC2CC2)CC[C@@H]1[NH3+] ZINC000567165199 326127297 /nfs/dbraw/zinc/12/72/97/326127297.db2.gz STAIGZPSOJWTPB-KOLCDFICSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]CC[C@@H](NCC1CC[NH2+]CC1)C(F)(F)F ZINC000567269732 326154052 /nfs/dbraw/zinc/15/40/52/326154052.db2.gz UVHGOCMJDFVXSS-SECBINFHSA-N 2 0 239.285 0.855 20 0 BCADRP COC[C@H](C)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000310250751 326187832 /nfs/dbraw/zinc/18/78/32/326187832.db2.gz NZJXIZZAWVUTME-OLZOCXBDSA-N 2 0 241.379 0.248 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)N(C)CCC[NH3+] ZINC000567476983 326200710 /nfs/dbraw/zinc/20/07/10/326200710.db2.gz VEWJJKCXFPLWRP-NSHDSACASA-N 2 0 244.383 0.707 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000567500299 326205463 /nfs/dbraw/zinc/20/54/63/326205463.db2.gz VUSXEXDHXINWED-WCQYABFASA-N 2 0 237.347 0.183 20 0 BCADRP CC[NH2+]CCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000567508653 326206913 /nfs/dbraw/zinc/20/69/13/326206913.db2.gz MKMDWNUMHDPWQW-UHFFFAOYSA-N 2 0 242.367 0.366 20 0 BCADRP CC[NH2+]CCCNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000567572697 326220235 /nfs/dbraw/zinc/22/02/35/326220235.db2.gz URTWSLFZBHXYQZ-GHMZBOCLSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@@H](C(=O)NCCC[C@H]1CCC[NH2+]1)C1C[NH2+]C1 ZINC000567612361 326229066 /nfs/dbraw/zinc/22/90/66/326229066.db2.gz LFRTWHKKFCHVOP-ZYHUDNBSSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000567639080 326235028 /nfs/dbraw/zinc/23/50/28/326235028.db2.gz RDQNVMDNBSORPS-LBPRGKRZSA-N 2 0 247.342 0.769 20 0 BCADRP C[C@]1(C(=O)NCC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000567668395 326242002 /nfs/dbraw/zinc/24/20/02/326242002.db2.gz MHWAQRSFBVJRJJ-PWSUYJOCSA-N 2 0 225.336 0.244 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000567683671 326244751 /nfs/dbraw/zinc/24/47/51/326244751.db2.gz UTCFRUGCHXGKIO-UTUOFQBUSA-N 2 0 230.352 0.456 20 0 BCADRP Cn1cnc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000313248523 326260188 /nfs/dbraw/zinc/26/01/88/326260188.db2.gz BRKBAUUIBAZTFJ-QWRGUYRKSA-N 2 0 222.336 0.822 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567813506 326261976 /nfs/dbraw/zinc/26/19/76/326261976.db2.gz FFAHTYCPGVKETN-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000567816888 326262275 /nfs/dbraw/zinc/26/22/75/326262275.db2.gz XNJZZJUFLMMVEP-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]Cc1cc(C(=O)NC[C@H]2CCC[NH2+]C2)co1 ZINC000567834561 326266354 /nfs/dbraw/zinc/26/63/54/326266354.db2.gz BCVMYRRSIFMTIP-VIFPVBQESA-N 2 0 237.303 0.468 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N2CC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC000567838831 326267866 /nfs/dbraw/zinc/26/78/66/326267866.db2.gz POZNQIHPKRHCTG-DCAQKATOSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[C@H](C)[NH3+] ZINC000567846574 326268192 /nfs/dbraw/zinc/26/81/92/326268192.db2.gz HTOZJSKPTKDDPR-YFKTTZPYSA-N 2 0 241.379 0.849 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[C@@H](C)[NH3+] ZINC000567846572 326269062 /nfs/dbraw/zinc/26/90/62/326269062.db2.gz HTOZJSKPTKDDPR-KXNHARMFSA-N 2 0 241.379 0.849 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000567846459 326269109 /nfs/dbraw/zinc/26/91/09/326269109.db2.gz CGUBFKBLHLBFAR-NKWVEPMBSA-N 2 0 241.257 0.510 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000567847295 326269462 /nfs/dbraw/zinc/26/94/62/326269462.db2.gz HAKQXFMNDQYCON-SCVCMEIPSA-N 2 0 227.352 0.748 20 0 BCADRP [NH3+]C1(c2noc([C@H]3C[C@@]34CC[NH2+]C4)n2)CCC1 ZINC000567852552 326271178 /nfs/dbraw/zinc/27/11/78/326271178.db2.gz ODJSROVVWXPQMQ-LDYMZIIASA-N 2 0 234.303 0.875 20 0 BCADRP FC1(C[NH2+]CCCN2CC[NH2+]CC2)CC1 ZINC000567864997 326273358 /nfs/dbraw/zinc/27/33/58/326273358.db2.gz NOZFLNSIKCIZNP-UHFFFAOYSA-N 2 0 215.316 0.373 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000567883427 326276197 /nfs/dbraw/zinc/27/61/97/326276197.db2.gz VAJBBXUWFUTLIF-LLVKDONJSA-N 2 0 241.379 0.819 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000567897193 326278777 /nfs/dbraw/zinc/27/87/77/326278777.db2.gz LGMAUQCFONBEDM-ZDUSSCGKSA-N 2 0 245.326 0.724 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH3+])C(C)(C)C)CC[NH2+]1 ZINC000567900193 326279882 /nfs/dbraw/zinc/27/98/82/326279882.db2.gz ZBKFDBPGEVSASA-DCAQKATOSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000567913876 326280427 /nfs/dbraw/zinc/28/04/27/326280427.db2.gz RDGMCPYMTNDJTE-ZYHUDNBSSA-N 2 0 227.352 0.762 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)C(F)F ZINC000567912237 326282438 /nfs/dbraw/zinc/28/24/38/326282438.db2.gz KHNJZQHQGOFIHU-SFYZADRCSA-N 2 0 235.278 0.227 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567912998 326282555 /nfs/dbraw/zinc/28/25/55/326282555.db2.gz ZVYFROJEZJUWKP-XXFSISAASA-N 2 0 225.336 0.226 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC)[NH+](C)C ZINC000157773698 326295501 /nfs/dbraw/zinc/29/55/01/326295501.db2.gz MQWAQSMXWVGPHU-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@@H](C(=O)NC1CC[NH+](CC)CC1)[NH+](C)C ZINC000157804509 326296718 /nfs/dbraw/zinc/29/67/18/326296718.db2.gz DEQYGJWBTGZVNG-LBPRGKRZSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+]CCCN1CCC([NH2+]CCOC)CC1 ZINC000568050229 326300526 /nfs/dbraw/zinc/30/05/26/326300526.db2.gz TVMSSYFWCHYERR-UHFFFAOYSA-N 2 0 229.368 0.296 20 0 BCADRP CN1CCN(C(=O)NCC2(C)CC2)[C@@H](C[NH3+])C1 ZINC000568058603 326301736 /nfs/dbraw/zinc/30/17/36/326301736.db2.gz LNIYOIIGKZCZQB-JTQLQIEISA-N 2 0 240.351 0.071 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CCC[NH3+] ZINC000568091291 326306931 /nfs/dbraw/zinc/30/69/31/326306931.db2.gz RBRAOXYHIKIRRH-MRVPVSSYSA-N 2 0 201.314 0.215 20 0 BCADRP CC1CC[NH+](CC(=O)N2CC([NH+](C)C)C2)CC1 ZINC000158296854 326315297 /nfs/dbraw/zinc/31/52/97/326315297.db2.gz XYTMCMURSVYFHU-UHFFFAOYSA-N 2 0 239.363 0.491 20 0 BCADRP CC1(CNC(=O)CC[NH2+]C2CC2)CC[NH2+]CC1 ZINC000568230913 326330280 /nfs/dbraw/zinc/33/02/80/326330280.db2.gz IBEAVYJNZGXQDU-UHFFFAOYSA-N 2 0 239.363 0.634 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000568231572 326330507 /nfs/dbraw/zinc/33/05/07/326330507.db2.gz XMTOWQUBSFMTOK-CMPLNLGQSA-N 2 0 225.336 0.196 20 0 BCADRP CCCN(C(=O)CC[NH2+]C1CC1)[C@@H]1CC[NH2+]C1 ZINC000568236319 326331714 /nfs/dbraw/zinc/33/17/14/326331714.db2.gz HQNNRJZSOJFOCT-GFCCVEGCSA-N 2 0 239.363 0.729 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](CO)[C@@H]2CCOC2)C1 ZINC000568248189 326334414 /nfs/dbraw/zinc/33/44/14/326334414.db2.gz JVNVFZWPBSUTCC-LPWJVIDDSA-N 2 0 242.363 0.491 20 0 BCADRP CNC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158656898 326335644 /nfs/dbraw/zinc/33/56/44/326335644.db2.gz AGQBJCSMCKNRAW-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)C1C[NH2+]C1 ZINC000568264736 326337132 /nfs/dbraw/zinc/33/71/32/326337132.db2.gz UNKLGQPXLMJOPN-AEJSXWLSSA-N 2 0 225.336 0.051 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000568265523 326337612 /nfs/dbraw/zinc/33/76/12/326337612.db2.gz BFORPIKLEPTJMH-AWEZNQCLSA-N 2 0 247.342 0.956 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000568390396 326352996 /nfs/dbraw/zinc/35/29/96/326352996.db2.gz LHNMFLUUIFEGJW-AEJSXWLSSA-N 2 0 230.356 0.539 20 0 BCADRP CC[NH+](CC)CCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000568390574 326353283 /nfs/dbraw/zinc/35/32/83/326353283.db2.gz VTXMCLIBMXINHD-MNOVXSKESA-N 2 0 244.383 0.753 20 0 BCADRP C[C@]1(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000568510838 326361310 /nfs/dbraw/zinc/36/13/10/326361310.db2.gz BUFFJOHAUCZTAX-SRVKXCTJSA-N 3 0 211.353 0.703 20 0 BCADRP FC(F)[C@@H]1C[NH2+]CCN1CC[C@H]1CCC[NH2+]C1 ZINC000568512139 326361483 /nfs/dbraw/zinc/36/14/83/326361483.db2.gz IPWLQEWEWLRMED-MNOVXSKESA-N 2 0 247.333 0.915 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000568513028 326361844 /nfs/dbraw/zinc/36/18/44/326361844.db2.gz WHOQGNSNCRHMBS-FOGDFJRCSA-N 2 0 225.336 0.372 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH2+]C)[C@H](C)C1 ZINC000568529098 326363743 /nfs/dbraw/zinc/36/37/43/326363743.db2.gz CCYXSIKFCYSACT-WOPDTQHZSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000568626407 326368413 /nfs/dbraw/zinc/36/84/13/326368413.db2.gz DWIJEAHHIXUNPJ-MFKMUULPSA-N 2 0 247.342 0.584 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000568664507 326372050 /nfs/dbraw/zinc/37/20/50/326372050.db2.gz OXJHOSHAFMMNIH-VHSXEESVSA-N 2 0 228.340 0.104 20 0 BCADRP CC(C)[NH2+]CCC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000568745900 326374465 /nfs/dbraw/zinc/37/44/65/326374465.db2.gz FWZFZRKXBOUFIR-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)C(C)(C)C[NH3+] ZINC000568748114 326374691 /nfs/dbraw/zinc/37/46/91/326374691.db2.gz BULKTJAGNDPKHE-MRVPVSSYSA-N 2 0 201.314 0.215 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000568882053 326381188 /nfs/dbraw/zinc/38/11/88/326381188.db2.gz QCIKQZQHWIFYIW-UTUOFQBUSA-N 2 0 239.363 0.620 20 0 BCADRP NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000569018978 326386980 /nfs/dbraw/zinc/38/69/80/326386980.db2.gz GEKXPOKNOKETRA-WDEREUQCSA-N 2 0 248.330 0.540 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000569099141 326389847 /nfs/dbraw/zinc/38/98/47/326389847.db2.gz RMIIKWLRRUIMAS-OUAUKWLOSA-N 2 0 223.320 0.030 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000569223077 326394348 /nfs/dbraw/zinc/39/43/48/326394348.db2.gz TWBZZOFSQOAACT-ZNSHCXBVSA-N 2 0 225.336 0.167 20 0 BCADRP CN(C(=O)c1ccnc(C[NH3+])c1)C1CC([NH3+])C1 ZINC000569221186 326395696 /nfs/dbraw/zinc/39/56/96/326395696.db2.gz JHEQWMFCXJAFHL-UHFFFAOYSA-N 2 0 234.303 0.102 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000569223074 326396005 /nfs/dbraw/zinc/39/60/05/326396005.db2.gz TWBZZOFSQOAACT-DBIOUOCHSA-N 2 0 225.336 0.167 20 0 BCADRP C[NH2+]CCCN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000569246144 326397491 /nfs/dbraw/zinc/39/74/91/326397491.db2.gz XJWJEILUVKBSSB-CYBMUJFWSA-N 2 0 234.347 0.637 20 0 BCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CCCC[NH3+] ZINC000569248145 326397767 /nfs/dbraw/zinc/39/77/67/326397767.db2.gz HTTNYSAILYMVIN-LBPRGKRZSA-N 2 0 241.379 0.916 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000572877521 326416623 /nfs/dbraw/zinc/41/66/23/326416623.db2.gz GBOPGJZWPRLBAG-QWRGUYRKSA-N 2 0 227.352 0.300 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000165405530 326421834 /nfs/dbraw/zinc/42/18/34/326421834.db2.gz HEXDRZPWCXIIDA-QWRGUYRKSA-N 2 0 229.368 0.770 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[NH2+]CC1(C)C ZINC000309475681 487973327 /nfs/dbraw/zinc/97/33/27/487973327.db2.gz RYDMMXMHDIEZHZ-DTWKUNHWSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)N(C)CCC[NH3+])CC1 ZINC000158791847 487975932 /nfs/dbraw/zinc/97/59/32/487975932.db2.gz BNUVLKLSTUWSRL-UHFFFAOYSA-N 2 0 241.379 0.914 20 0 BCADRP Cn1ncnc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000083970867 487976220 /nfs/dbraw/zinc/97/62/20/487976220.db2.gz QEBKDNNICZZWLU-UHFFFAOYSA-N 2 0 223.324 0.247 20 0 BCADRP CC[C@]1(C(=O)N2CCC([NH3+])CC2)CCC[NH2+]1 ZINC000134364666 487979919 /nfs/dbraw/zinc/97/99/19/487979919.db2.gz KNUFPZQBMZFMSN-GFCCVEGCSA-N 2 0 225.336 0.468 20 0 BCADRP [NH3+]CC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000212747729 487980230 /nfs/dbraw/zinc/98/02/30/487980230.db2.gz OAYXURMZLJBJOJ-NSHDSACASA-N 2 0 235.287 0.245 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000446408939 487980990 /nfs/dbraw/zinc/98/09/90/487980990.db2.gz POPZSIKTGVBNND-MDZLAQPJSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000134398633 487982012 /nfs/dbraw/zinc/98/20/12/487982012.db2.gz PGAYCCQFPJCCIN-JLLWLGSASA-N 2 0 228.336 0.066 20 0 BCADRP [NH3+]C1CCC(NC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000134555182 487989688 /nfs/dbraw/zinc/98/96/88/487989688.db2.gz YQIGWXJZIOTPFS-VOMCLLRMSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000186781132 487992070 /nfs/dbraw/zinc/99/20/70/487992070.db2.gz YFIQDZNLTOCVQN-ZNSHCXBVSA-N 2 0 225.336 0.228 20 0 BCADRP C[N@@H+]1CCN(CC[NH2+]C2CSC2)CC1(C)C ZINC000309603015 487995333 /nfs/dbraw/zinc/99/53/33/487995333.db2.gz YBFOVXNYRKGEMN-UHFFFAOYSA-N 2 0 243.420 0.717 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000062853560 487997765 /nfs/dbraw/zinc/99/77/65/487997765.db2.gz NXEBIJGYBACWGN-ZDUSSCGKSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000062853561 487998101 /nfs/dbraw/zinc/99/81/01/487998101.db2.gz NXEBIJGYBACWGN-CYBMUJFWSA-N 2 0 239.363 0.587 20 0 BCADRP C[N@H+](CC[C@H]1CC[NH2+]C1)CC(=O)N1CCCC1 ZINC000396740790 488004268 /nfs/dbraw/zinc/00/42/68/488004268.db2.gz PSHGXIVELLKIKV-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP CC[C@@H]1C[N@H+](CCn2cccn2)CC[C@@H]1[NH3+] ZINC000147487628 488029385 /nfs/dbraw/zinc/02/93/85/488029385.db2.gz KFUSVCMDECNJGF-NEPJUHHUSA-N 2 0 222.336 0.942 20 0 BCADRP [NH3+]C1CCN(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659576354 488030017 /nfs/dbraw/zinc/03/00/17/488030017.db2.gz BTAJZEOSTWDBCQ-UHFFFAOYSA-N 2 0 240.351 0.391 20 0 BCADRP CC[NH+]1CCC(CNC(=O)C[NH2+]C(C)C)CC1 ZINC000044526768 488030534 /nfs/dbraw/zinc/03/05/34/488030534.db2.gz MGWQDZQXTQLWQO-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000084166801 488031501 /nfs/dbraw/zinc/03/15/01/488031501.db2.gz IXIHMSBWESZINM-GHMZBOCLSA-N 2 0 239.363 0.857 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000655449418 488037831 /nfs/dbraw/zinc/03/78/31/488037831.db2.gz FDJPRCGQCSJLTN-NSHDSACASA-N 2 0 248.330 0.338 20 0 BCADRP C[C@@H]([NH2+]CCC[NH3+])c1cccc(-n2cnnn2)c1 ZINC000037713310 488039125 /nfs/dbraw/zinc/03/91/25/488039125.db2.gz ZFMQXZDPLPBODI-SNVBAGLBSA-N 2 0 246.318 0.662 20 0 BCADRP Cc1ncc(C[N@@H+]2CCC[C@H]2CO)n1C ZINC000667552867 488042643 /nfs/dbraw/zinc/04/26/43/488042643.db2.gz XEAMDHVXTOBDSD-JTQLQIEISA-N 2 0 209.293 0.685 20 0 BCADRP C[C@H](NC[C@@]12C[C@@H]1C[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC000663494722 488044017 /nfs/dbraw/zinc/04/40/17/488044017.db2.gz QRSYPXKXBCUNTR-RVMXOQNASA-N 2 0 223.364 0.574 20 0 BCADRP C([NH+]1CCC2(CC[NH2+]C2)CC1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663494488 488044352 /nfs/dbraw/zinc/04/43/52/488044352.db2.gz OSZZQSMULGEDRA-GXTWGEPZSA-N 3 0 235.375 0.671 20 0 BCADRP [NH3+]C1(CNC[C@]23C[C@H]2C[NH2+]C3)CCCC1 ZINC000663499886 488048375 /nfs/dbraw/zinc/04/83/75/488048375.db2.gz WUOJHSDUWOFQLK-WDEREUQCSA-N 2 0 209.337 0.457 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000091393442 488048999 /nfs/dbraw/zinc/04/89/99/488048999.db2.gz NGKBELMUOIEWDR-TUAOUCFPSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669490897 488053043 /nfs/dbraw/zinc/05/30/43/488053043.db2.gz DJRGPWUVTNAXKJ-MWLCHTKSSA-N 2 0 240.351 0.117 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCNC2=O)C1 ZINC000656200907 488067589 /nfs/dbraw/zinc/06/75/89/488067589.db2.gz YIGINSCMARBBCU-MXWKQRLJSA-N 2 0 225.336 0.372 20 0 BCADRP COCC[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000230197048 488070963 /nfs/dbraw/zinc/07/09/63/488070963.db2.gz RRXQWNJIVVPPKI-WOPDTQHZSA-N 2 0 230.352 0.633 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)[NH3+])C1 ZINC000389148929 488078529 /nfs/dbraw/zinc/07/85/29/488078529.db2.gz IXNFCBDTORKHLA-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH2+]C)C1 ZINC000389138402 488078224 /nfs/dbraw/zinc/07/82/24/488078224.db2.gz GMDGKFLGXDIRHB-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000257698334 488082774 /nfs/dbraw/zinc/08/27/74/488082774.db2.gz NNJYCXGRGOTARH-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000257725145 488084386 /nfs/dbraw/zinc/08/43/86/488084386.db2.gz UFRIXOUISSHKGJ-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCNC(=O)C1 ZINC000226378603 488084821 /nfs/dbraw/zinc/08/48/21/488084821.db2.gz JWLCDKKTDYOORW-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000257751325 488087351 /nfs/dbraw/zinc/08/73/51/488087351.db2.gz GPAHGNRGEGCNSD-GHMZBOCLSA-N 2 0 225.336 0.278 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H](C)[NH+](C)C ZINC000236796446 488088368 /nfs/dbraw/zinc/08/83/68/488088368.db2.gz JRYKPUGXERIBAP-VIFPVBQESA-N 2 0 201.314 0.052 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C1CC[NH2+]CC1 ZINC000236799834 488089231 /nfs/dbraw/zinc/08/92/31/488089231.db2.gz XMGLZSADQFASJQ-GFCCVEGCSA-N 2 0 227.352 0.476 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCCC1CC[NH2+]CC1 ZINC000653268240 488091102 /nfs/dbraw/zinc/09/11/02/488091102.db2.gz BIYPRCKOSZJFFI-JTQLQIEISA-N 2 0 227.352 0.348 20 0 BCADRP CC(C)([NH3+])CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000236852132 488093122 /nfs/dbraw/zinc/09/31/22/488093122.db2.gz HGXIDYZBUFYROM-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000236942978 488099106 /nfs/dbraw/zinc/09/91/06/488099106.db2.gz HLJXHHUUKVYNTP-MXWKQRLJSA-N 2 0 227.352 0.618 20 0 BCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CC(C)(C)[NH3+] ZINC000237079388 488100698 /nfs/dbraw/zinc/10/06/98/488100698.db2.gz NIDZXYRSIWLCLF-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP C1C[NH2+][C@H](c2noc([C@@H]3CCC[NH2+]3)n2)C1 ZINC000258133171 488101695 /nfs/dbraw/zinc/10/16/95/488101695.db2.gz UVCIWAXWAISNDD-YUMQZZPRSA-N 2 0 208.265 0.919 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])[C@@H](C)CC)C1 ZINC000389568953 488102545 /nfs/dbraw/zinc/10/25/45/488102545.db2.gz AGSMDHWRIWUOCL-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000389634341 488103652 /nfs/dbraw/zinc/10/36/52/488103652.db2.gz IVSIBLWENSRBGX-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000389647345 488104679 /nfs/dbraw/zinc/10/46/79/488104679.db2.gz NAFPFLJLLPMJEW-AAEUAGOBSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000092951140 488106219 /nfs/dbraw/zinc/10/62/19/488106219.db2.gz ZIFNHEGONCVPEO-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000389715618 488108642 /nfs/dbraw/zinc/10/86/42/488108642.db2.gz GKPHVWFXSWIWBY-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000669509143 488108857 /nfs/dbraw/zinc/10/88/57/488108857.db2.gz NTKPKLBMUKEQEA-NSHDSACASA-N 2 0 241.379 0.880 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000378848169 488108985 /nfs/dbraw/zinc/10/89/85/488108985.db2.gz UHAOMEWIKZOJTH-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP COC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)C1CC1 ZINC000397316370 488110707 /nfs/dbraw/zinc/11/07/07/488110707.db2.gz LGYPPPUGPURIIQ-QWHCGFSZSA-N 2 0 244.379 0.702 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000516929739 488111586 /nfs/dbraw/zinc/11/15/86/488111586.db2.gz NBRTZNWWMNCGQN-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C1([NH3+])CCCC1 ZINC000669510437 488112321 /nfs/dbraw/zinc/11/23/21/488112321.db2.gz IFDXARHGRAKSOQ-UHFFFAOYSA-N 2 0 227.352 0.762 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000669510402 488112482 /nfs/dbraw/zinc/11/24/82/488112482.db2.gz ZTXTXVHJKSQUIT-WCQYABFASA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+]CCNC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000669510387 488112845 /nfs/dbraw/zinc/11/28/45/488112845.db2.gz XJASNFYKJBHNAH-GFCCVEGCSA-N 2 0 235.331 0.282 20 0 BCADRP COCCC[N@H+](C)CCNC(=O)CC(C)(C)[NH3+] ZINC000237189069 488113494 /nfs/dbraw/zinc/11/34/94/488113494.db2.gz QZGBXOWTVDIACE-UHFFFAOYSA-N 2 0 245.367 0.198 20 0 BCADRP CN(CCC[NH3+])C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000669511938 488116858 /nfs/dbraw/zinc/11/68/58/488116858.db2.gz OAMAJHGBVOPMDH-LBPRGKRZSA-N 2 0 235.331 0.884 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N(C)CCC[NH3+] ZINC000669511954 488117009 /nfs/dbraw/zinc/11/70/09/488117009.db2.gz OKHLEOFTJFKSPS-GFCCVEGCSA-N 2 0 235.331 0.802 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000669512060 488117735 /nfs/dbraw/zinc/11/77/35/488117735.db2.gz UKZVMNDEVHAZSW-ZDUSSCGKSA-N 2 0 235.331 0.668 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[NH2+]CC1(C)C ZINC000669512458 488118549 /nfs/dbraw/zinc/11/85/49/488118549.db2.gz YDOBENBCCGRPRY-UHFFFAOYSA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+]C1(CC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CCC1 ZINC000669512929 488120539 /nfs/dbraw/zinc/12/05/39/488120539.db2.gz QQUHMJIMSJFFHB-NSHDSACASA-N 2 0 237.347 0.611 20 0 BCADRP C[C@]1(CNC(=O)CC2([NH3+])CCC2)CCC[NH2+]C1 ZINC000669513836 488122558 /nfs/dbraw/zinc/12/25/58/488122558.db2.gz UBJVMKWYMNHDMT-LBPRGKRZSA-N 2 0 239.363 0.764 20 0 BCADRP O=C1CC[C@@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)CC[C@H]2N1 ZINC000160335937 488123257 /nfs/dbraw/zinc/12/32/57/488123257.db2.gz XXXZBBWWRRQJPX-IJLUTSLNSA-N 2 0 237.347 0.196 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000669514627 488123791 /nfs/dbraw/zinc/12/37/91/488123791.db2.gz VPBFBNMXCGHDPS-NWDGAFQWSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000669514688 488123904 /nfs/dbraw/zinc/12/39/04/488123904.db2.gz ZVIDQKRIHANLEJ-UTUOFQBUSA-N 2 0 239.363 0.633 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000669516214 488126847 /nfs/dbraw/zinc/12/68/47/488126847.db2.gz XXEUUCWLASQUDP-WOPDTQHZSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000669518766 488133875 /nfs/dbraw/zinc/13/38/75/488133875.db2.gz IVUDDXCLIQLYPK-IJLUTSLNSA-N 2 0 241.379 0.723 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220882520 487541787 /nfs/dbraw/zinc/54/17/87/487541787.db2.gz XFFAZMUCYDEWBM-SRVKXCTJSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H](C(=O)N(C)CC[NH+]1CCCC1)[NH+](C)C ZINC000674288087 487548529 /nfs/dbraw/zinc/54/85/29/487548529.db2.gz WFBWFRRUCMSDBF-NSHDSACASA-N 2 0 227.352 0.491 20 0 BCADRP C[N@H+](CCCn1ccnc1)C[C@@H]1CC[NH2+]C1 ZINC000382755723 487550411 /nfs/dbraw/zinc/55/04/11/487550411.db2.gz NFBRNKNJMGOHLK-GFCCVEGCSA-N 2 0 222.336 0.815 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000261751900 487551018 /nfs/dbraw/zinc/55/10/18/487551018.db2.gz IZUXOWHSMBEREW-FIQHERPVSA-N 2 0 239.363 0.890 20 0 BCADRP C[C@@H](C(=O)NCC[N@@H+]1CC[C@@H](C)C1)[NH+](C)C ZINC000674289834 487551478 /nfs/dbraw/zinc/55/14/78/487551478.db2.gz XBENFMBNQYXGDJ-MNOVXSKESA-N 2 0 227.352 0.395 20 0 BCADRP C[C@H](CNC(=O)[C@]1(C)CC[NH2+]C1)[NH+]1CCCC1 ZINC000161092735 487476096 /nfs/dbraw/zinc/47/60/96/487476096.db2.gz FDBSLTYBBUONEK-DGCLKSJQSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@H]1C[NH2+]CCO1 ZINC000662236177 487470736 /nfs/dbraw/zinc/47/07/36/487470736.db2.gz VAGSTUBRHJYTSU-TUAOUCFPSA-N 2 0 227.352 0.177 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C[C@H]1C[NH2+]CCO1 ZINC000662236172 487470985 /nfs/dbraw/zinc/47/09/85/487470985.db2.gz VAGSTUBRHJYTSU-QJPTWQEYSA-N 2 0 227.352 0.177 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)NCCC1CC[NH2+]CC1 ZINC000653272389 487471940 /nfs/dbraw/zinc/47/19/40/487471940.db2.gz LIUJRDZUHJXFAE-SECBINFHSA-N 2 0 249.305 0.475 20 0 BCADRP CC(C)(C)[NH2+]CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405314945 487482154 /nfs/dbraw/zinc/48/21/54/487482154.db2.gz QUQHRZWXLXDTJK-NWDGAFQWSA-N 2 0 241.379 0.125 20 0 BCADRP C[C@H](C[N@H+](C)C[C@@H](O)C[NH3+])C(C)(C)C ZINC000399484602 487486492 /nfs/dbraw/zinc/48/64/92/487486492.db2.gz DADCJTVNAQCXIC-ZJUUUORDSA-N 2 0 202.342 0.920 20 0 BCADRP CN(C[C@@H]1CC[NH2+]C1)C[C@@H]1CCC[N@@H+]1C ZINC000086188755 487489173 /nfs/dbraw/zinc/48/91/73/487489173.db2.gz WVWUAEAWLQNHQH-NEPJUHHUSA-N 2 0 211.353 0.622 20 0 BCADRP CC(C)(C)CNC(=O)CN1CCC([NH3+])CC1 ZINC000086206214 487490401 /nfs/dbraw/zinc/49/04/01/487490401.db2.gz GAQFPOSRBMLZBW-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](C(=O)NC[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000237611356 487492767 /nfs/dbraw/zinc/49/27/67/487492767.db2.gz YDBDQAMZUJLHCK-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H](C(=O)N1CCCC[C@@H]1C[NH3+])[NH+](C)C ZINC000237610484 487492850 /nfs/dbraw/zinc/49/28/50/487492850.db2.gz MJQRDHJWYPCWKX-VHSXEESVSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@@H](C(=O)N[C@](C)(C[NH3+])C1CC1)[NH+](C)C ZINC000237611966 487493355 /nfs/dbraw/zinc/49/33/55/487493355.db2.gz USUDUPUCJMXAEN-GZMMTYOYSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)C(C)(C)C ZINC000393963675 487493811 /nfs/dbraw/zinc/49/38/11/487493811.db2.gz JSZHLFOOGXZGRS-NWDGAFQWSA-N 2 0 246.395 0.684 20 0 BCADRP [NH3+]CCCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334285054 487499713 /nfs/dbraw/zinc/49/97/13/487499713.db2.gz BGAAGLHPUWPCMQ-LBPRGKRZSA-N 2 0 225.336 0.327 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CCC[NH3+] ZINC000381221444 487502019 /nfs/dbraw/zinc/50/20/19/487502019.db2.gz ITUCSPUOCQUUKM-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161614143 487506743 /nfs/dbraw/zinc/50/67/43/487506743.db2.gz HYYDXOKBEDWKJX-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP COCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000300396923 487512852 /nfs/dbraw/zinc/51/28/52/487512852.db2.gz RRXQWNJIVVPPKI-TUAOUCFPSA-N 2 0 230.352 0.633 20 0 BCADRP O[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000107153158 487507555 /nfs/dbraw/zinc/50/75/55/487507555.db2.gz XPVLHGJSWJJHRV-RYUDHWBXSA-N 2 0 212.337 0.833 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000169808882 487508466 /nfs/dbraw/zinc/50/84/66/487508466.db2.gz QNXVJQNQPJJPIU-WDEREUQCSA-N 2 0 239.363 0.857 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]([NH3+])CC(C)C ZINC000381471950 487509289 /nfs/dbraw/zinc/50/92/89/487509289.db2.gz OZHVSQNJXWEIDL-SNVBAGLBSA-N 2 0 215.341 0.476 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662267885 487509709 /nfs/dbraw/zinc/50/97/09/487509709.db2.gz YTPUPMSSJWSKDQ-TUAOUCFPSA-N 2 0 239.363 0.190 20 0 BCADRP COC[C@@H](C[NH+]1CCC(C)([NH3+])CC1)OC ZINC000662271554 487517224 /nfs/dbraw/zinc/51/72/24/487517224.db2.gz WPNWYDDYIIKZLL-SNVBAGLBSA-N 2 0 216.325 0.461 20 0 BCADRP [NH3+][C@@H](C(=O)NC[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000237824667 487518578 /nfs/dbraw/zinc/51/85/78/487518578.db2.gz GPQZOEBXLBNONJ-QWHCGFSZSA-N 2 0 247.342 0.945 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](C)[NH3+] ZINC000669318272 487520147 /nfs/dbraw/zinc/52/01/47/487520147.db2.gz KLTDLBRHNICBOZ-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP CN(C(=O)CC1([NH3+])CCC1)C1CC[NH+](C)CC1 ZINC000094293449 487523937 /nfs/dbraw/zinc/52/39/37/487523937.db2.gz MSGFOUAPXVPJHZ-UHFFFAOYSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H](C(=O)NC[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000237611400 488154127 /nfs/dbraw/zinc/15/41/27/488154127.db2.gz FRRALLXKUZOHAX-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H]1CCN(C(=O)CC2([NH3+])CCC2)C[C@H]1C[NH3+] ZINC000669521521 488154332 /nfs/dbraw/zinc/15/43/32/488154332.db2.gz ZKRUVUWJOWDXQV-GHMZBOCLSA-N 2 0 239.363 0.701 20 0 BCADRP CN(C)C(=O)CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283327 488155712 /nfs/dbraw/zinc/15/57/12/488155712.db2.gz IMXIWCNFUSDXIC-PHIMTYICSA-N 2 0 225.336 0.006 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000085365059 488163440 /nfs/dbraw/zinc/16/34/40/488163440.db2.gz NRNQIYXRAOIHOW-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH+]1CCC(NC(=O)CC(C)(C)[NH3+])CC1 ZINC000082771768 487728374 /nfs/dbraw/zinc/72/83/74/487728374.db2.gz MONKMVAZEUCIIP-UHFFFAOYSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H](C[C@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947966 487889863 /nfs/dbraw/zinc/88/98/63/487889863.db2.gz LXXHNWIAOJLKIU-YFKTTZPYSA-N 2 0 229.343 0.807 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)C1CC1 ZINC000655451737 488059991 /nfs/dbraw/zinc/05/99/91/488059991.db2.gz ODXGVSFBLPMSGJ-DMDPSCGWSA-N 2 0 237.347 0.230 20 0 BCADRP C[NH+](C)C1(C(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000667831055 488134852 /nfs/dbraw/zinc/13/48/52/488134852.db2.gz JNFRYGXCOGLEOE-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000669520375 488141130 /nfs/dbraw/zinc/14/11/30/488141130.db2.gz BCLGATONYDEDAY-SECBINFHSA-N 2 0 249.305 0.488 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000230711914 488141193 /nfs/dbraw/zinc/14/11/93/488141193.db2.gz YSGVAGUYPDVMLT-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000237301701 488141905 /nfs/dbraw/zinc/14/19/05/488141905.db2.gz KXCLMOBEVSAUJK-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP CN(C[C@@H]1CC[NH2+]C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000259031274 488146732 /nfs/dbraw/zinc/14/67/32/488146732.db2.gz ZQWAMEQOZKOCPA-CHWSQXEVSA-N 2 0 225.380 0.870 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000669521085 488150414 /nfs/dbraw/zinc/15/04/14/488150414.db2.gz RCIFTLHOFOFOLI-SNVBAGLBSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H]1C[N@H+](CCc2ccnn2C)CC[C@@H]1[NH3+] ZINC000230745725 488150439 /nfs/dbraw/zinc/15/04/39/488150439.db2.gz SVZJUDGDKRFLAY-JQWIXIFHSA-N 2 0 222.336 0.632 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])[NH+](C)C ZINC000237398947 488154113 /nfs/dbraw/zinc/15/41/13/488154113.db2.gz FFFJRWMUBVUHDJ-OUAUKWLOSA-N 2 0 227.352 0.522 20 0 BCADRP C[NH2+]CCC[N@H+](C)CCc1cnn(C)c1 ZINC000230775396 488156913 /nfs/dbraw/zinc/15/69/13/488156913.db2.gz SJEMBBQZRVYWNZ-UHFFFAOYSA-N 2 0 210.325 0.504 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1ccnn1C ZINC000230775534 488157060 /nfs/dbraw/zinc/15/70/60/488157060.db2.gz BOXPYVJGXXTONR-QWRGUYRKSA-N 2 0 222.336 0.632 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC000230774589 488157100 /nfs/dbraw/zinc/15/71/00/488157100.db2.gz QCXZVPMLORCSNJ-LLVKDONJSA-N 2 0 222.336 0.504 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCOCCO)C1 ZINC000230782880 488158150 /nfs/dbraw/zinc/15/81/50/488158150.db2.gz BLQDZJXHTVUIQV-QWRGUYRKSA-N 2 0 216.325 0.245 20 0 BCADRP C[C@H]([NH2+][C@@H]1COC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000134398614 488166785 /nfs/dbraw/zinc/16/67/85/488166785.db2.gz PGAYCCQFPJCCIN-WCQGTBRESA-N 2 0 228.336 0.066 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCCCCO ZINC000380077594 488171377 /nfs/dbraw/zinc/17/13/77/488171377.db2.gz DHPDKBZCQNSOSU-ZDUSSCGKSA-N 2 0 246.395 0.782 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000230948481 488174060 /nfs/dbraw/zinc/17/40/60/488174060.db2.gz NYLCQAUHIAQXSK-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000669528891 488176539 /nfs/dbraw/zinc/17/65/39/488176539.db2.gz PPVRYQHALLWSKT-YWVKMMECSA-N 2 0 240.351 0.116 20 0 BCADRP Cn1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000401052343 488180581 /nfs/dbraw/zinc/18/05/81/488180581.db2.gz YXVYDJJNBLBXLW-HZSPNIEDSA-N 2 0 248.374 0.940 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404902985 488183744 /nfs/dbraw/zinc/18/37/44/488183744.db2.gz XLMFWEPVVSOEBZ-GFCCVEGCSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322415696 488187138 /nfs/dbraw/zinc/18/71/38/488187138.db2.gz KDEVQZRPDIEGOL-OFLUOSHYSA-N 2 0 225.336 0.336 20 0 BCADRP CC(C)[NH2+]CC(=O)NCCCC[NH+](C)C ZINC000041679615 488191966 /nfs/dbraw/zinc/19/19/66/488191966.db2.gz STTHAPWQTODHOO-UHFFFAOYSA-N 2 0 215.341 0.442 20 0 BCADRP C[NH+](C)CCCCNC(=O)CC[NH2+]C1CC1 ZINC000041679585 488192186 /nfs/dbraw/zinc/19/21/86/488192186.db2.gz NMQIBLLSAFUULW-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000668742911 488197346 /nfs/dbraw/zinc/19/73/46/488197346.db2.gz QJHPTYRUTXAUIN-NSHDSACASA-N 2 0 239.363 0.491 20 0 BCADRP [NH3+]C1(CC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000398051524 488197761 /nfs/dbraw/zinc/19/77/61/488197761.db2.gz DNTYCZABSOMGKO-WDEREUQCSA-N 2 0 237.347 0.611 20 0 BCADRP OC(CN1CC=CCC1)C[N@H+]1CC=CCC1 ZINC000683668978 488206430 /nfs/dbraw/zinc/20/64/30/488206430.db2.gz HCCRVONPHOQVPP-UHFFFAOYSA-N 2 0 222.332 0.871 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000398063044 488206393 /nfs/dbraw/zinc/20/63/93/488206393.db2.gz CJYLTOLQWUMKBB-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP [NH3+]C1(CC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000398115800 488211268 /nfs/dbraw/zinc/21/12/68/488211268.db2.gz ZBTKAPBUVKGNGM-JTQLQIEISA-N 2 0 237.347 0.468 20 0 BCADRP CC[NH+](CC)CCNC(=O)CC1([NH3+])CC1 ZINC000398149773 488212908 /nfs/dbraw/zinc/21/29/08/488212908.db2.gz MYZKBXSACFZTCG-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP Cn1cc(CCC[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC000683790643 488223243 /nfs/dbraw/zinc/22/32/43/488223243.db2.gz OEKIODHZQRDTOZ-OKILXGFUSA-N 2 0 248.374 0.846 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662406525 490066803 /nfs/dbraw/zinc/06/68/03/490066803.db2.gz GCVXPHQWRZZWED-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H](C)C[NH3+] ZINC000054129009 490106785 /nfs/dbraw/zinc/10/67/85/490106785.db2.gz CGAGWLWDCSEKRE-VIFPVBQESA-N 2 0 201.314 0.038 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H](C[NH3+])C(C)C ZINC000054128945 490106685 /nfs/dbraw/zinc/10/66/85/490106685.db2.gz KPRUXQZETOWVGR-SNVBAGLBSA-N 2 0 215.341 0.285 20 0 BCADRP C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H](C)[NH3+] ZINC000375429978 490143002 /nfs/dbraw/zinc/14/30/02/490143002.db2.gz UVKRUZYTSSVJOJ-YTWAJWBKSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H](C(=O)NCCC[NH+]1CCCC1)[NH+](C)C ZINC000078655122 490210902 /nfs/dbraw/zinc/21/09/02/490210902.db2.gz SGYPZHRJMUQMRB-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+](C)C)C1 ZINC000078698753 490219230 /nfs/dbraw/zinc/21/92/30/490219230.db2.gz MGNQAMUHMVOTNS-NWDGAFQWSA-N 2 0 241.379 0.783 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000662966708 490245865 /nfs/dbraw/zinc/24/58/65/490245865.db2.gz UWNLUWLISZUEMS-VIFPVBQESA-N 2 0 233.315 0.628 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000662967972 490247365 /nfs/dbraw/zinc/24/73/65/490247365.db2.gz DCPZBFPIGZJHRI-NHCYSSNCSA-N 2 0 225.336 0.100 20 0 BCADRP O=C(c1cccc2c1CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000124134476 490295214 /nfs/dbraw/zinc/29/52/14/490295214.db2.gz JYTRUTLTDZOMMB-UHFFFAOYSA-N 2 0 245.326 0.378 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000130598407 490408168 /nfs/dbraw/zinc/40/81/68/490408168.db2.gz PCHQSEPSSLRMNW-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000668613392 490409672 /nfs/dbraw/zinc/40/96/72/490409672.db2.gz IACQRHPSCYFSPE-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000080993516 490667832 /nfs/dbraw/zinc/66/78/32/490667832.db2.gz YVDANPJWJZASCM-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C1(C)C[NH2+]C1 ZINC000399325696 491061451 /nfs/dbraw/zinc/06/14/51/491061451.db2.gz WXDMBKKGNQYBIB-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H](C(=O)NC[C@@H]1CCCC[NH2+]1)[C@H](C)[NH3+] ZINC000309795189 491076993 /nfs/dbraw/zinc/07/69/93/491076993.db2.gz PZVZWYSTJVSWEE-UTLUCORTSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[NH3+] ZINC000261544540 491088944 /nfs/dbraw/zinc/08/89/44/491088944.db2.gz IZMCIKSAGALAGM-LBPRGKRZSA-N 2 0 249.358 0.972 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)CCC[NH3+] ZINC000049559659 491128826 /nfs/dbraw/zinc/12/88/26/491128826.db2.gz ASFIIHBWNVFFQW-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)OC1CCC1 ZINC000308804410 491138204 /nfs/dbraw/zinc/13/82/04/491138204.db2.gz AMABACLPSOUKPO-QWRGUYRKSA-N 2 0 210.321 0.707 20 0 BCADRP C[N@H+]1CC=C(C[NH2+]Cc2cn[nH]c2)CC1 ZINC000309069966 491143966 /nfs/dbraw/zinc/14/39/66/491143966.db2.gz BAGSUJQGXNYOIX-UHFFFAOYSA-N 2 0 206.293 0.761 20 0 BCADRP C[C@H]([NH2+]CC(C)(C)C(N)=O)C1CC[NH+](C)CC1 ZINC000224355057 491153185 /nfs/dbraw/zinc/15/31/85/491153185.db2.gz UONCGJZMWGJNNT-JTQLQIEISA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843344329 582534844 /nfs/dbraw/zinc/53/48/44/582534844.db2.gz WDXNILDWSUFZKC-AVGNSLFASA-N 3 0 243.395 0.847 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000335390538 535495426 /nfs/dbraw/zinc/49/54/26/535495426.db2.gz PMNYNSJBEIBSLH-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)[C@H]1CCC[NH2+]1 ZINC000400523337 533885842 /nfs/dbraw/zinc/88/58/42/533885842.db2.gz PAWNATJIAWMJSO-NNYUYHANSA-N 2 0 212.337 0.878 20 0 BCADRP COC(=O)N1CCC([NH2+][C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000496652347 533948345 /nfs/dbraw/zinc/94/83/45/533948345.db2.gz WIQNFWARBVNZPE-NXEZZACHSA-N 2 0 243.351 0.933 20 0 BCADRP CC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000173744861 535813754 /nfs/dbraw/zinc/81/37/54/535813754.db2.gz UDNHERKTVFTECZ-WDEREUQCSA-N 2 0 200.326 0.641 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH+](C)C ZINC000174591583 534147826 /nfs/dbraw/zinc/14/78/26/534147826.db2.gz CUXSEAFVQSXQGU-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CCC1([NH+](C)C)CCN(C(=O)NCC[NH3+])CC1 ZINC000891977248 582750676 /nfs/dbraw/zinc/75/06/76/582750676.db2.gz TZXBSQDCMHMQPJ-UHFFFAOYSA-N 2 0 242.367 0.461 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)NC1CCC([NH3+])CC1 ZINC000892024932 582764175 /nfs/dbraw/zinc/76/41/75/582764175.db2.gz SUAYZFVQYNWXPO-VQXHTEKXSA-N 2 0 240.351 0.389 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NC1CCC([NH3+])CC1 ZINC000892023406 582764793 /nfs/dbraw/zinc/76/47/93/582764793.db2.gz WUMIWOJDSQNCOB-XEAZBWPWSA-N 2 0 240.351 0.387 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NCCC(C)(C)[NH3+] ZINC000892038712 582770060 /nfs/dbraw/zinc/77/00/60/582770060.db2.gz IFASKIMPFYPCGU-UHFFFAOYSA-N 2 0 244.383 0.931 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@H](C)C[NH3+] ZINC000892044935 582772146 /nfs/dbraw/zinc/77/21/46/582772146.db2.gz PWINHJBUKXTKAK-GHMZBOCLSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000892095943 582789753 /nfs/dbraw/zinc/78/97/53/582789753.db2.gz GXNKZLIGZRHJJU-UWVGGRQHSA-N 2 0 228.340 0.247 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000892099397 582790954 /nfs/dbraw/zinc/79/09/54/582790954.db2.gz LXNPRQUGDCTGKQ-GHMZBOCLSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892135725 582798790 /nfs/dbraw/zinc/79/87/90/582798790.db2.gz VPVVJUMPFDPUMJ-GARJFASQSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC1(C[NH3+])CCCCC1 ZINC000892144324 582799310 /nfs/dbraw/zinc/79/93/10/582799310.db2.gz VAZISOCDOBCOKX-NXEZZACHSA-N 2 0 242.367 0.683 20 0 BCADRP CCN(C(=O)N[C@@H](C)CCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000892141456 582799189 /nfs/dbraw/zinc/79/91/89/582799189.db2.gz OGDXRNJOWFDDRM-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892143387 582800196 /nfs/dbraw/zinc/80/01/96/582800196.db2.gz FHTIMVHVMSOHAK-GARJFASQSA-N 2 0 240.351 0.260 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000162073964 536334713 /nfs/dbraw/zinc/33/47/13/536334713.db2.gz LZMPBGQNMXCZNP-NEPJUHHUSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892144050 582800077 /nfs/dbraw/zinc/80/00/77/582800077.db2.gz HGHMWEUGYZRQCP-DCAQKATOSA-N 2 0 242.367 0.540 20 0 BCADRP CNC(=O)[C@@H](C)C[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261695201 536344705 /nfs/dbraw/zinc/34/47/05/536344705.db2.gz BSOYQCOTAYUEIJ-JQWIXIFHSA-N 2 0 227.352 0.300 20 0 BCADRP CC(C)[C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000262590175 534898055 /nfs/dbraw/zinc/89/80/55/534898055.db2.gz QUAMEKJSVMJLFZ-NWDGAFQWSA-N 2 0 241.379 0.688 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892567362 582915322 /nfs/dbraw/zinc/91/53/22/582915322.db2.gz LQOHSAPIIUHDQA-DCAQKATOSA-N 2 0 240.351 0.117 20 0 BCADRP CC1(NC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC000892568109 582916033 /nfs/dbraw/zinc/91/60/33/582916033.db2.gz QHBRMUUAXHBSNY-MGCOHNPYSA-N 2 0 240.351 0.165 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000494699596 528500117 /nfs/dbraw/zinc/50/01/17/528500117.db2.gz QJVWSSFZILVPQR-ZMLRMANQSA-N 2 0 239.363 0.569 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000494872668 528969597 /nfs/dbraw/zinc/96/95/97/528969597.db2.gz HDJMSUZWDAPDNN-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000261548680 535057073 /nfs/dbraw/zinc/05/70/73/535057073.db2.gz NVMXCCLTTKETMI-AEJSXWLSSA-N 2 0 213.325 0.356 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000261548682 535059926 /nfs/dbraw/zinc/05/99/26/535059926.db2.gz NVMXCCLTTKETMI-GUBZILKMSA-N 2 0 213.325 0.356 20 0 BCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000261923317 535072687 /nfs/dbraw/zinc/07/26/87/535072687.db2.gz BWGQOWNSNDRGCL-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000340082691 535075511 /nfs/dbraw/zinc/07/55/11/535075511.db2.gz OAANFDZEGBXUPH-GMTAPVOTSA-N 2 0 227.352 0.461 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000342748313 535075669 /nfs/dbraw/zinc/07/56/69/535075669.db2.gz HNOQYGLOWIPZBR-HBNTYKKESA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C[C@H](C)[NH3+])C1 ZINC000261869162 535129064 /nfs/dbraw/zinc/12/90/64/535129064.db2.gz QIEXGJJUAGSVNN-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[C@@H](C(=O)NCC[NH3+])[NH+]1CCCCC1 ZINC000158690612 535133533 /nfs/dbraw/zinc/13/35/33/535133533.db2.gz WSNCIXZNQXKFEW-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@](C)([NH3+])CCC ZINC000261570682 535171089 /nfs/dbraw/zinc/17/10/89/535171089.db2.gz HBRIEVGXNBUUIB-LLVKDONJSA-N 2 0 215.341 0.620 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)[C@H](C)C2C[NH2+]C2)CC1 ZINC000163893640 535191113 /nfs/dbraw/zinc/19/11/13/535191113.db2.gz PWBXDXXRYYVSMD-LLVKDONJSA-N 2 0 239.363 0.395 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000261574576 535207781 /nfs/dbraw/zinc/20/77/81/535207781.db2.gz JILBOESVBQFCOV-KXUCPTDWSA-N 2 0 213.325 0.084 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262299840 535208596 /nfs/dbraw/zinc/20/85/96/535208596.db2.gz ZVWSCWCADZAHQK-GXFFZTMASA-N 2 0 239.363 0.620 20 0 BCADRP CCCN(C(=O)[C@]1(F)CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000178936446 535237424 /nfs/dbraw/zinc/23/74/24/535237424.db2.gz TZSXOGIPZKAYEV-PWSUYJOCSA-N 2 0 243.326 0.289 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000261908128 535247330 /nfs/dbraw/zinc/24/73/30/535247330.db2.gz XMXHADZKHKFJOV-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000334952150 535296758 /nfs/dbraw/zinc/29/67/58/535296758.db2.gz CSBIGFRBTGNEIK-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000342596318 535363848 /nfs/dbraw/zinc/36/38/48/535363848.db2.gz SCBALBYPHXCTLF-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000335396950 535475730 /nfs/dbraw/zinc/47/57/30/535475730.db2.gz BPNDORWXPQBAGG-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH3+] ZINC000167326526 535485736 /nfs/dbraw/zinc/48/57/36/535485736.db2.gz BCJDSSFXBIFODY-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261716617 535491788 /nfs/dbraw/zinc/49/17/88/535491788.db2.gz CDFBWDLAYAXKBN-GFCCVEGCSA-N 2 0 227.352 0.526 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351826832 535492084 /nfs/dbraw/zinc/49/20/84/535492084.db2.gz JTZMQSOXTLGJMM-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261716619 535492100 /nfs/dbraw/zinc/49/21/00/535492100.db2.gz CDFBWDLAYAXKBN-LBPRGKRZSA-N 2 0 227.352 0.526 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)[NH3+] ZINC000261929265 535504535 /nfs/dbraw/zinc/50/45/35/535504535.db2.gz YRZLHLMXRNVANT-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261535888 535650055 /nfs/dbraw/zinc/65/00/55/535650055.db2.gz POFBENCOGWPCPX-LLVKDONJSA-N 2 0 214.309 0.610 20 0 BCADRP CC[N@H+](CCC(=O)OC)C[C@@]1(C)CC[NH2+]C1 ZINC000262009254 535711073 /nfs/dbraw/zinc/71/10/73/535711073.db2.gz MEDGXKKWZUNGLQ-LBPRGKRZSA-N 2 0 228.336 0.871 20 0 BCADRP CCC[C@H]1CN(CC[NH3+])CC[N@@H+]1CCOC ZINC000261568721 535740103 /nfs/dbraw/zinc/74/01/03/535740103.db2.gz FUDDCQGKBDRDKZ-LBPRGKRZSA-N 2 0 229.368 0.378 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)C[NH3+] ZINC000261593148 535744416 /nfs/dbraw/zinc/74/44/16/535744416.db2.gz WQUVXWLNNVJBPO-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000085012521 535830069 /nfs/dbraw/zinc/83/00/69/535830069.db2.gz WQKVXIOYNRJNCJ-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136200558 535830602 /nfs/dbraw/zinc/83/06/02/535830602.db2.gz BWOWURVRTPGTIM-ZDUSSCGKSA-N 2 0 241.379 0.977 20 0 BCADRP CC[C@@H]1COCC[N@@H+]1CCOCC[NH3+] ZINC000086435417 535834439 /nfs/dbraw/zinc/83/44/39/535834439.db2.gz RBXKQNOXGNMOHW-SNVBAGLBSA-N 2 0 202.298 0.073 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CCC[NH2+]1 ZINC000262780809 535881659 /nfs/dbraw/zinc/88/16/59/535881659.db2.gz MDDQIKMODLIJFD-GMXVVIOVSA-N 2 0 239.363 0.633 20 0 BCADRP Cn1cncc1CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000347783059 535945314 /nfs/dbraw/zinc/94/53/14/535945314.db2.gz MHIKGHYBZOJOIY-LBPRGKRZSA-N 2 0 236.363 0.846 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178774276 535953554 /nfs/dbraw/zinc/95/35/54/535953554.db2.gz MYZPJUKICBEDCP-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP CN(C(=O)C1([NH3+])CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000262423194 535961182 /nfs/dbraw/zinc/96/11/82/535961182.db2.gz GLYHEDVIVUUJOO-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251102222 535994828 /nfs/dbraw/zinc/99/48/28/535994828.db2.gz RNIOBQQSIHGYID-WOPDTQHZSA-N 2 0 212.337 0.974 20 0 BCADRP CN(C(=O)C[C@H]1CSCC[NH2+]1)C1CC([NH3+])C1 ZINC000336212446 536006014 /nfs/dbraw/zinc/00/60/14/536006014.db2.gz XIBHDYATEBRAPW-KYHHOPLUSA-N 2 0 243.376 0.030 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000335666358 536138619 /nfs/dbraw/zinc/13/86/19/536138619.db2.gz ORASHOLRIZYIPU-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000261539372 536139190 /nfs/dbraw/zinc/13/91/90/536139190.db2.gz CFWLOFHQSLGMMN-GUBZILKMSA-N 2 0 213.325 0.310 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H](O)C[C@@H]1CO ZINC000352020089 536354542 /nfs/dbraw/zinc/35/45/42/536354542.db2.gz GZLCGEHZIFITKI-UPJWGTAASA-N 2 0 242.363 0.288 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1(CO)CCOCC1 ZINC000348068002 536370176 /nfs/dbraw/zinc/37/01/76/536370176.db2.gz FLXPNIAEKZZXST-GFCCVEGCSA-N 2 0 242.363 0.602 20 0 BCADRP CNC(=O)[C@@]1(C)CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262033513 536372729 /nfs/dbraw/zinc/37/27/29/536372729.db2.gz OHVKHFMMAPPJKV-STQMWFEESA-N 2 0 239.363 0.444 20 0 BCADRP C[N@H+](CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CC1 ZINC000261799550 536376327 /nfs/dbraw/zinc/37/63/27/536376327.db2.gz QUGQGMAGZUNXLX-CMPLNLGQSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000261545431 536399983 /nfs/dbraw/zinc/39/99/83/536399983.db2.gz JYUVEUXOAWVEAJ-KOLCDFICSA-N 2 0 213.325 0.243 20 0 BCADRP C[NH2+][C@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261547974 536413122 /nfs/dbraw/zinc/41/31/22/536413122.db2.gz MXUHLNBJWRWGRC-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP C[N@H+](C[C@H]1CCC[C@@H]1O)CC(C)(C)[NH3+] ZINC000261531124 536448222 /nfs/dbraw/zinc/44/82/22/536448222.db2.gz FHBMDILLCFKVCD-ZJUUUORDSA-N 2 0 200.326 0.817 20 0 BCADRP CC[NH2+]CCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000418318992 566420428 /nfs/dbraw/zinc/42/04/28/566420428.db2.gz QIABOBAWISQJQF-UHFFFAOYSA-N 2 0 242.367 0.285 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]CC2(C)CC2)CC1 ZINC000379915550 566446743 /nfs/dbraw/zinc/44/67/43/566446743.db2.gz BUVNPYXGNGUHKB-UHFFFAOYSA-N 2 0 212.337 0.833 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892848894 582994704 /nfs/dbraw/zinc/99/47/04/582994704.db2.gz YWDCUWQVYVLGSP-SECBINFHSA-N 2 0 228.340 0.247 20 0 BCADRP CC(=O)OC[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000893305631 583095640 /nfs/dbraw/zinc/09/56/40/583095640.db2.gz WMNXFCKGZJUZFK-SNVBAGLBSA-N 2 0 226.320 0.790 20 0 BCADRP [NH3+]CCc1ccc(C[NH2+]C[C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000853245700 588728460 /nfs/dbraw/zinc/72/84/60/588728460.db2.gz BRCJQAIVUWHSLB-GJZGRUSLSA-N 3 0 245.370 0.887 20 0 BCADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000853245247 588728587 /nfs/dbraw/zinc/72/85/87/588728587.db2.gz JAHOKGBBCAPDLJ-JWURUJNWSA-N 2 0 235.375 0.940 20 0 BCADRP C[N@H+](C[C@]12C[C@H]1C[NH2+]C2)C1CCC([NH3+])CC1 ZINC000853245761 588728631 /nfs/dbraw/zinc/72/86/31/588728631.db2.gz CJGIEMFRNGQSAA-YWPUVAFDSA-N 3 0 223.364 0.798 20 0 BCADRP COC(=O)N(C)CC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000854226550 588780423 /nfs/dbraw/zinc/78/04/23/588780423.db2.gz HICBHKHNJPTOAI-IUCAKERBSA-N 2 0 217.313 0.400 20 0 BCADRP C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000854605267 588796846 /nfs/dbraw/zinc/79/68/46/588796846.db2.gz JKLVTXAHKRSUHO-ZDUSSCGKSA-N 2 0 248.330 0.506 20 0 BCADRP C[NH+](C)CC1CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000854721635 588804263 /nfs/dbraw/zinc/80/42/63/588804263.db2.gz HZHSOCGYIOLWJN-UHFFFAOYSA-N 2 0 239.363 0.491 20 0 BCADRP Cc1cc(N2CCC[C@H]([NH+](C)C)C2)nc(N)[nH+]1 ZINC000112703369 588813119 /nfs/dbraw/zinc/81/31/19/588813119.db2.gz YUBCNNWXSYPQSM-JTQLQIEISA-N 2 0 235.335 0.898 20 0 BCADRP C[NH+](C)CCCCC(=O)NOCC[NH+](C)C ZINC000854945090 588817677 /nfs/dbraw/zinc/81/76/77/588817677.db2.gz AMDBRAVJTUMDOK-UHFFFAOYSA-N 2 0 231.340 0.328 20 0 BCADRP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH+](C)C ZINC000855416013 588831987 /nfs/dbraw/zinc/83/19/87/588831987.db2.gz RWGLAQIALPSCIT-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843344331 582534639 /nfs/dbraw/zinc/53/46/39/582534639.db2.gz WDXNILDWSUFZKC-XQQFMLRXSA-N 3 0 243.395 0.847 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CCCC[C@@H]2C(N)=O)CC1 ZINC000891489097 582692505 /nfs/dbraw/zinc/69/25/05/582692505.db2.gz DYYUXWONLLIWIY-GFCCVEGCSA-N 2 0 239.363 0.668 20 0 BCADRP OCc1c[nH+]ccc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000891781231 582720625 /nfs/dbraw/zinc/72/06/25/582720625.db2.gz HGWZXMVGJGQOJU-LLVKDONJSA-N 2 0 247.342 0.892 20 0 BCADRP C[C@@H](CNC(=O)N1C[C@H]([NH3+])C[C@@H]1C)[NH+](C)C ZINC000891940411 582741695 /nfs/dbraw/zinc/74/16/95/582741695.db2.gz QORJWUSOEVMLFO-LPEHRKFASA-N 2 0 228.340 0.068 20 0 BCADRP CCC1([NH3+])CCN(C(=O)NCCC[NH3+])CC1 ZINC000891986787 582753667 /nfs/dbraw/zinc/75/36/67/582753667.db2.gz MRPHOGDXEZWNCN-UHFFFAOYSA-N 2 0 228.340 0.248 20 0 BCADRP C[NH2+]CCNC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000891992027 582755252 /nfs/dbraw/zinc/75/52/52/582755252.db2.gz AVGRZVQOQXUVKB-UHFFFAOYSA-N 2 0 242.367 0.332 20 0 BCADRP C[NH2+]CCNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000891992032 582755265 /nfs/dbraw/zinc/75/52/65/582755265.db2.gz BAHAVBFPRBPESP-JTQLQIEISA-N 2 0 242.367 0.283 20 0 BCADRP C[NH2+]CCNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000891992843 582755651 /nfs/dbraw/zinc/75/56/51/582755651.db2.gz OBDYHHDEZAIYMP-MGCOHNPYSA-N 2 0 228.340 0.023 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000892006569 582760275 /nfs/dbraw/zinc/76/02/75/582760275.db2.gz IYTDJYSXPNLIFX-GHMZBOCLSA-N 2 0 240.351 0.132 20 0 BCADRP Nc1cc[nH+]c(CNC(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000892017218 582761779 /nfs/dbraw/zinc/76/17/79/582761779.db2.gz SRZRLVGGBPTMRT-SNVBAGLBSA-N 2 0 249.318 0.215 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC1CCC([NH3+])CC1 ZINC000892023405 582764767 /nfs/dbraw/zinc/76/47/67/582764767.db2.gz WUMIWOJDSQNCOB-VKAADOFISA-N 2 0 240.351 0.387 20 0 BCADRP CC(C)([NH3+])CNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892033708 582767533 /nfs/dbraw/zinc/76/75/33/582767533.db2.gz GFVWEYOBHKFKDQ-ZJUUUORDSA-N 2 0 240.351 0.260 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000892037144 582769396 /nfs/dbraw/zinc/76/93/96/582769396.db2.gz VBOXODUAOCYJJT-NXEZZACHSA-N 2 0 242.367 0.635 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892038781 582769948 /nfs/dbraw/zinc/76/99/48/582769948.db2.gz ZQPXLMIGDVQWKI-GMTAPVOTSA-N 2 0 242.367 0.396 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892038780 582770259 /nfs/dbraw/zinc/77/02/59/582770259.db2.gz ZQPXLMIGDVQWKI-DCAQKATOSA-N 2 0 242.367 0.396 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC1=CC[NH2+]CC1 ZINC000892066386 582783467 /nfs/dbraw/zinc/78/34/67/582783467.db2.gz HAAXBQKHSHYJCY-MWLCHTKSSA-N 2 0 238.335 0.037 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000892095947 582789821 /nfs/dbraw/zinc/78/98/21/582789821.db2.gz GXNKZLIGZRHJJU-ZJUUUORDSA-N 2 0 228.340 0.247 20 0 BCADRP [NH3+]C/C=C/CNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892123017 582795734 /nfs/dbraw/zinc/79/57/34/582795734.db2.gz WSFWGUBJSFJXSZ-INISDOFMSA-N 2 0 238.335 0.085 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892134400 582797820 /nfs/dbraw/zinc/79/78/20/582797820.db2.gz HROQWVCTZQMHLI-GHMZBOCLSA-N 2 0 242.367 0.637 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000892136551 582798261 /nfs/dbraw/zinc/79/82/61/582798261.db2.gz YEHYXWJQYSUBAU-MXWKQRLJSA-N 2 0 242.367 0.635 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000892143673 582799733 /nfs/dbraw/zinc/79/97/33/582799733.db2.gz FJENGMHZQQMVJJ-UXCLJVHYSA-N 2 0 240.351 0.306 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892143666 582799769 /nfs/dbraw/zinc/79/97/69/582799769.db2.gz FJENGMHZQQMVJJ-GMOBBJLQSA-N 2 0 240.351 0.306 20 0 BCADRP C[C@@H](NC(=O)N(C)CCCCCC[NH3+])[C@H](C)[NH3+] ZINC000892144063 582800616 /nfs/dbraw/zinc/80/06/16/582800616.db2.gz HJOUVEZWNHPBDD-WDEREUQCSA-N 2 0 244.383 0.883 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892144213 582800828 /nfs/dbraw/zinc/80/08/28/582800828.db2.gz SSFCJQOLXYYZFG-GWOFURMSSA-N 2 0 242.367 0.539 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000892147831 582801312 /nfs/dbraw/zinc/80/13/12/582801312.db2.gz WZFXSJCQAAOHFF-NXEZZACHSA-N 2 0 242.367 0.458 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCCC(C)(C)[NH3+] ZINC000892146393 582801501 /nfs/dbraw/zinc/80/15/01/582801501.db2.gz KCYVUSGKPPCXFN-MRVPVSSYSA-N 2 0 216.329 0.150 20 0 BCADRP [NH3+]C1(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCCC1 ZINC000892249940 582813146 /nfs/dbraw/zinc/81/31/46/582813146.db2.gz ZAGCOUPEMLCXDM-UWVGGRQHSA-N 2 0 238.335 0.014 20 0 BCADRP C[C@@H](CNC(=[NH2+])N1CCC1)[NH+]1CCCC1 ZINC000848986525 582817133 /nfs/dbraw/zinc/81/71/33/582817133.db2.gz BHCKJIPISPRQQB-JTQLQIEISA-N 2 0 210.325 0.701 20 0 BCADRP CNC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000848987001 582817866 /nfs/dbraw/zinc/81/78/66/582817866.db2.gz DKZZIGSXPUYKTD-ZJUUUORDSA-N 2 0 212.341 0.993 20 0 BCADRP CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000848986999 582818246 /nfs/dbraw/zinc/81/82/46/582818246.db2.gz DKZZIGSXPUYKTD-VHSXEESVSA-N 2 0 212.341 0.993 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000848992427 582819854 /nfs/dbraw/zinc/81/98/54/582819854.db2.gz ABSXFJYCXQCVRV-JTQLQIEISA-N 2 0 224.352 0.995 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000892293290 582829415 /nfs/dbraw/zinc/82/94/15/582829415.db2.gz SRHDJXWQNXCMAN-RCWTZXSCSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC(C)(C)[NH3+] ZINC000892302192 582832215 /nfs/dbraw/zinc/83/22/15/582832215.db2.gz MPXQNTQWSIVCQL-DTWKUNHWSA-N 2 0 228.340 0.163 20 0 BCADRP CCN(CC[NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892456450 582891712 /nfs/dbraw/zinc/89/17/12/582891712.db2.gz MTKNTLAEXKSFMI-UHFFFAOYSA-N 2 0 240.351 0.343 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000892568218 582915357 /nfs/dbraw/zinc/91/53/57/582915357.db2.gz SOTSSQNNAKNALF-GMTAPVOTSA-N 2 0 240.351 0.117 20 0 BCADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)COCCOC)C1 ZINC000892612923 582929484 /nfs/dbraw/zinc/92/94/84/582929484.db2.gz GJWCHJKJCYGLPW-QWHCGFSZSA-N 2 0 244.379 0.969 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)NCCC(C)(C)[NH3+] ZINC000892850973 582996095 /nfs/dbraw/zinc/99/60/95/582996095.db2.gz QBGBMLMCBKZBAW-MRVPVSSYSA-N 2 0 216.329 0.102 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000892849845 582996285 /nfs/dbraw/zinc/99/62/85/582996285.db2.gz FUJWQGNESBMFFM-JTQLQIEISA-N 2 0 242.367 0.494 20 0 BCADRP CCC1([NH3+])CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000892932864 583011924 /nfs/dbraw/zinc/01/19/24/583011924.db2.gz CEIKCLFCDDNBOQ-UHFFFAOYSA-N 2 0 240.351 0.215 20 0 BCADRP COCCOC[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000892942879 583014364 /nfs/dbraw/zinc/01/43/64/583014364.db2.gz ATQJQNGUOGBXOV-GFCCVEGCSA-N 2 0 244.379 0.969 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NCC2CC2)CC1 ZINC000111611859 583069586 /nfs/dbraw/zinc/06/95/86/583069586.db2.gz XALHGYMSEYRZFN-JTQLQIEISA-N 2 0 239.363 0.572 20 0 BCADRP CC(=O)OC[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000893305630 583095721 /nfs/dbraw/zinc/09/57/21/583095721.db2.gz WMNXFCKGZJUZFK-JTQLQIEISA-N 2 0 226.320 0.790 20 0 BCADRP C[NH+]1CCC(C[NH2+]C2(CC(N)=O)CCC2)CC1 ZINC000893675371 583194217 /nfs/dbraw/zinc/19/42/17/583194217.db2.gz KUUQSBHIGIECGX-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](n3cncn3)C2)CC1 ZINC000893694482 583202472 /nfs/dbraw/zinc/20/24/72/583202472.db2.gz VSISALBFKZOPCZ-ZDUSSCGKSA-N 2 0 249.362 0.867 20 0 BCADRP C[NH+](C)CCCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000123542229 583205251 /nfs/dbraw/zinc/20/52/51/583205251.db2.gz HHMSFXKKNRRYOY-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP CCn1ncc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000857084694 588886328 /nfs/dbraw/zinc/88/63/28/588886328.db2.gz XWOVINBMRGDXTD-GHMZBOCLSA-N 2 0 237.351 0.857 20 0 BCADRP CCn1ncc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000857084415 588886336 /nfs/dbraw/zinc/88/63/36/588886336.db2.gz SBLMHZKKAGSMIT-CYZMBNFOSA-N 2 0 249.362 0.857 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000857103363 588888012 /nfs/dbraw/zinc/88/80/12/588888012.db2.gz HBIIHCLIWJYBBK-VHSXEESVSA-N 2 0 228.340 0.165 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000857104775 588888210 /nfs/dbraw/zinc/88/82/10/588888210.db2.gz XHDIVKBSSLBLRP-UWVGGRQHSA-N 2 0 228.340 0.023 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000857106862 588888241 /nfs/dbraw/zinc/88/82/41/588888241.db2.gz CLUKLRZCRAIABQ-GUBZILKMSA-N 2 0 228.340 0.116 20 0 BCADRP CC[C@@H]1CN(C(=O)NCC[C@H](C)[NH3+])CC[C@H]1[NH3+] ZINC000857107232 588888354 /nfs/dbraw/zinc/88/83/54/588888354.db2.gz PEDDMUMYIBCSRV-HBNTYKKESA-N 2 0 242.367 0.493 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000857107071 588888360 /nfs/dbraw/zinc/88/83/60/588888360.db2.gz KBGVJVUDQSPCRB-AEJSXWLSSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000857107411 588888589 /nfs/dbraw/zinc/88/85/89/588888589.db2.gz UQOHTHWJDKJFCA-ONGXEEELSA-N 2 0 228.340 0.104 20 0 BCADRP CC[C@@]1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000877243087 583304781 /nfs/dbraw/zinc/30/47/81/583304781.db2.gz MHCMZHMDJGCGFD-UMNHJUIQSA-N 2 0 225.336 0.372 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877283750 583307207 /nfs/dbraw/zinc/30/72/07/583307207.db2.gz QRYAILNRFQDJGO-GMTAPVOTSA-N 2 0 237.347 0.337 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000877438099 583313380 /nfs/dbraw/zinc/31/33/80/583313380.db2.gz JLWJTBQDCRCQIS-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000894184732 583332656 /nfs/dbraw/zinc/33/26/56/583332656.db2.gz FGFMPUNUQXPBSP-CYBMUJFWSA-N 2 0 239.363 0.526 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CC[C@](F)(CO)C2)CC1 ZINC000894279464 583407392 /nfs/dbraw/zinc/40/73/92/583407392.db2.gz DOLDOXANAHVJSM-GFCCVEGCSA-N 2 0 230.327 0.735 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000637844838 583410758 /nfs/dbraw/zinc/41/07/58/583410758.db2.gz LLZVBUBOFOXTNI-BBBLOLIVSA-N 2 0 213.325 0.180 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cnc[nH]1 ZINC000894399003 583448740 /nfs/dbraw/zinc/44/87/40/583448740.db2.gz BWUVFENJTRGFTH-LBPRGKRZSA-N 2 0 240.351 0.856 20 0 BCADRP C[NH+]1CCC(C[NH2+]C[C@@]2(C)CCC(=O)N2)CC1 ZINC000894804011 583522047 /nfs/dbraw/zinc/52/20/47/583522047.db2.gz HRNNQNJBIIGTQD-CYBMUJFWSA-N 2 0 239.363 0.587 20 0 BCADRP Cc1cc(N)nc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)[nH+]1 ZINC000895021695 583569215 /nfs/dbraw/zinc/56/92/15/583569215.db2.gz IMJGWKCJCCDHOU-MNOVXSKESA-N 2 0 247.346 0.898 20 0 BCADRP Cc1cc(N)nc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)[nH+]1 ZINC000895021694 583569528 /nfs/dbraw/zinc/56/95/28/583569528.db2.gz IMJGWKCJCCDHOU-GHMZBOCLSA-N 2 0 247.346 0.898 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCC[NH2+]CC2)C1 ZINC000334953273 583596933 /nfs/dbraw/zinc/59/69/33/583596933.db2.gz SZAIUFXFYRAQCD-GHMZBOCLSA-N 2 0 240.351 0.261 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNc1cc[nH+]cc1CO ZINC000895162556 583610903 /nfs/dbraw/zinc/61/09/03/583610903.db2.gz WXLONYLTSIXOAO-NSHDSACASA-N 2 0 221.304 0.502 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000142633706 583615862 /nfs/dbraw/zinc/61/58/62/583615862.db2.gz FCMIQIMWMCPSJX-SNVBAGLBSA-N 2 0 213.325 0.374 20 0 BCADRP CCn1cncc1C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000895320737 583649167 /nfs/dbraw/zinc/64/91/67/583649167.db2.gz JDQOGQZPBYUBQF-JTQLQIEISA-N 2 0 236.319 0.517 20 0 BCADRP C[C@@H]1C[C@H](N[C@@H]2C(=O)NCC2(C)C)CC[N@@H+]1C ZINC000895323096 583650055 /nfs/dbraw/zinc/65/00/55/583650055.db2.gz YJIYHSWAVOFPDF-GMTAPVOTSA-N 2 0 239.363 0.583 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000895669251 583706121 /nfs/dbraw/zinc/70/61/21/583706121.db2.gz XDWRJIBLEATLGM-VXGBXAGGSA-N 2 0 238.331 0.433 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+]1CCCC1 ZINC000895685128 583709509 /nfs/dbraw/zinc/70/95/09/583709509.db2.gz KDUVPXSWGBIIQB-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP CC[N@H+](CCNc1nc(N)[nH+]c(N)n1)C(C)C ZINC000858385690 588950131 /nfs/dbraw/zinc/95/01/31/588950131.db2.gz YCSFXGIQANJEOI-UHFFFAOYSA-N 2 0 239.327 0.178 20 0 BCADRP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000897845448 584054151 /nfs/dbraw/zinc/05/41/51/584054151.db2.gz QJQISWSHBAUOTO-SRVKXCTJSA-N 2 0 239.363 0.632 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](O)[C@H](F)C2)CC1 ZINC000898183779 584093453 /nfs/dbraw/zinc/09/34/53/584093453.db2.gz NEARCJXDTIOYIC-NEPJUHHUSA-N 2 0 230.327 0.733 20 0 BCADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn[nH]c1 ZINC000730109726 584123419 /nfs/dbraw/zinc/12/34/19/584123419.db2.gz VWFQEGYOHXGVFE-NSHDSACASA-N 2 0 237.351 0.135 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC([NH+]2CCCC2)C1 ZINC000898613299 584146141 /nfs/dbraw/zinc/14/61/41/584146141.db2.gz AQQFRKTZMWVHKV-UHFFFAOYSA-N 2 0 239.363 0.633 20 0 BCADRP COCCN(C)CCNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899264804 584188704 /nfs/dbraw/zinc/18/87/04/584188704.db2.gz MCEBOGPQMKGTMB-JTQLQIEISA-N 2 0 242.367 0.477 20 0 BCADRP C[C@@H](NC(=[NH2+])NCCN(C)C1CC1)C1CC1 ZINC000899264727 584188878 /nfs/dbraw/zinc/18/88/78/584188878.db2.gz JZLYEKHIRVOCMI-SECBINFHSA-N 2 0 224.352 0.993 20 0 BCADRP C[C@@H]([NH3+])Cn1cc([C@@H]2CCCC[NH2+]2)nn1 ZINC000899724314 584229025 /nfs/dbraw/zinc/22/90/25/584229025.db2.gz MOHTZVBBZHWLKI-BDAKNGLRSA-N 2 0 209.297 0.440 20 0 BCADRP c1c([C@@H]2CCCC[NH2+]2)nnn1[C@@H]1CC[NH2+]C1 ZINC000899724808 584230193 /nfs/dbraw/zinc/23/01/93/584230193.db2.gz KHTHFLWRSUEERC-ZJUUUORDSA-N 2 0 221.308 0.627 20 0 BCADRP c1c(C[NH2+]C2CC2)nnn1C[C@@H]1CCCC[NH2+]C1 ZINC000899740849 584233849 /nfs/dbraw/zinc/23/38/49/584233849.db2.gz KIYMJSOMHZKYCQ-LLVKDONJSA-N 2 0 249.362 0.920 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1Cc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000900010847 584265663 /nfs/dbraw/zinc/26/56/63/584265663.db2.gz XRBWRMMAVLOTDF-BBBLOLIVSA-N 2 0 236.319 0.892 20 0 BCADRP C[NH2+][C@H](C)Cc1noc(C2=CCC[NH2+]CC2)n1 ZINC000900010566 584265811 /nfs/dbraw/zinc/26/58/11/584265811.db2.gz TZAHRETXSSVGTR-SECBINFHSA-N 2 0 236.319 0.987 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000900694845 584338859 /nfs/dbraw/zinc/33/88/59/584338859.db2.gz KUFJLGTUSKRGJF-LLVKDONJSA-N 2 0 237.347 0.293 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CNc1ccccn1 ZINC000900696403 584339062 /nfs/dbraw/zinc/33/90/62/584339062.db2.gz XXKVKWVGQVYEDY-LLVKDONJSA-N 2 0 248.330 0.704 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2COCCO2)C1 ZINC000902319802 584551484 /nfs/dbraw/zinc/55/14/84/584551484.db2.gz NCMQKQBHCFAKCD-VXGBXAGGSA-N 2 0 242.363 0.770 20 0 BCADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C(=O)N(C)C ZINC000902375571 584567852 /nfs/dbraw/zinc/56/78/52/584567852.db2.gz JAEMVASJUFRZNR-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP CCN(C)C(=O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902376675 584567991 /nfs/dbraw/zinc/56/79/91/584567991.db2.gz MCOZGPPDNVEEDJ-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CCN(C)C(=O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902376674 584568094 /nfs/dbraw/zinc/56/80/94/584568094.db2.gz MCOZGPPDNVEEDJ-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@]2(O)CCOC2)C1 ZINC000902360588 584571502 /nfs/dbraw/zinc/57/15/02/584571502.db2.gz HIJGMZLUNRFROA-WCQYABFASA-N 2 0 242.363 0.506 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@]2(O)CCOC2)C1 ZINC000902360586 584571581 /nfs/dbraw/zinc/57/15/81/584571581.db2.gz HIJGMZLUNRFROA-AAEUAGOBSA-N 2 0 242.363 0.506 20 0 BCADRP COC[C@@](C)(O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361475 584572028 /nfs/dbraw/zinc/57/20/28/584572028.db2.gz PPRBKVJSTBCABW-YPMHNXCESA-N 2 0 244.379 0.752 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@H](NCC2([NH3+])CC2)C1 ZINC000902410193 584575849 /nfs/dbraw/zinc/57/58/49/584575849.db2.gz PXPULTFDPXYSLB-UWVGGRQHSA-N 2 0 211.353 0.973 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C/C=C/CO)C1 ZINC000902393065 584583954 /nfs/dbraw/zinc/58/39/54/584583954.db2.gz OJNFUPWZKGNVPA-PGLGOXFNSA-N 2 0 212.337 0.903 20 0 BCADRP C[C@H](C[NH3+])CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902393238 584584015 /nfs/dbraw/zinc/58/40/15/584584015.db2.gz NXECPNPGETYBMF-MNOVXSKESA-N 2 0 213.369 0.949 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2COCCN2)C1 ZINC000902397021 584585617 /nfs/dbraw/zinc/58/56/17/584585617.db2.gz LUVTUYHBMIRFBM-NEPJUHHUSA-N 2 0 241.379 0.343 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]CCCON)[C@H]2CCC[C@@H]21 ZINC000902416639 584590627 /nfs/dbraw/zinc/59/06/27/584590627.db2.gz VHXOMWCDVUICFB-WOPDTQHZSA-N 2 0 227.352 0.729 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCON ZINC000902417691 584591298 /nfs/dbraw/zinc/59/12/98/584591298.db2.gz YQTHWKMJIDGLTP-VHSXEESVSA-N 2 0 201.314 0.245 20 0 BCADRP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@H]1C[NH2+]CC1(C)C ZINC000902444834 584598967 /nfs/dbraw/zinc/59/89/67/584598967.db2.gz OTRYQAIEPKNACI-UTUOFQBUSA-N 2 0 241.379 0.341 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000902445232 584599078 /nfs/dbraw/zinc/59/90/78/584599078.db2.gz PIKNECUBWMUQTK-ILDUYXDCSA-N 3 0 211.353 0.844 20 0 BCADRP C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[N@@H+]1C ZINC000902474254 584602061 /nfs/dbraw/zinc/60/20/61/584602061.db2.gz DHRBAWBGBKNTPX-NJMOYASZSA-N 2 0 223.364 0.952 20 0 BCADRP C(N[C@@H]1C[NH2+]CCOC1)[C@@H]1CCCCC[NH2+]1 ZINC000902477793 584603284 /nfs/dbraw/zinc/60/32/84/584603284.db2.gz SCFYEUMRKKNULY-NWDGAFQWSA-N 2 0 227.352 0.097 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902479490 584604277 /nfs/dbraw/zinc/60/42/77/584604277.db2.gz YGAZXIAANRDVGD-QJPTWQEYSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@@H](N[C@H]1C[NH2+]CC1(C)C)[C@H]1CCC[NH2+]1 ZINC000902447527 584604923 /nfs/dbraw/zinc/60/49/23/584604923.db2.gz YWOCETAANTVBSA-MXWKQRLJSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H](N[C@@H]1C[NH2+]CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000902447528 584605011 /nfs/dbraw/zinc/60/50/11/584605011.db2.gz YWOCETAANTVBSA-OUAUKWLOSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902451320 584606525 /nfs/dbraw/zinc/60/65/25/584606525.db2.gz WKKZGSJDROUPKC-GMTAPVOTSA-N 2 0 211.353 0.524 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902450425 584606670 /nfs/dbraw/zinc/60/66/70/584606670.db2.gz DHFVAWNPHKSWEG-DJZSBQJZSA-N 2 0 222.332 0.879 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902452122 584607124 /nfs/dbraw/zinc/60/71/24/584607124.db2.gz IVYWIOMIVUMCKG-YNRVRDPVSA-N 2 0 222.332 0.892 20 0 BCADRP CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000902456214 584610199 /nfs/dbraw/zinc/61/01/99/584610199.db2.gz ODOCJKSWASNHHI-GWOFURMSSA-N 2 0 216.325 0.506 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902460661 584611352 /nfs/dbraw/zinc/61/13/52/584611352.db2.gz IEBJETQWYGDTJQ-ROHXPCBUSA-N 2 0 209.337 0.467 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902460658 584611373 /nfs/dbraw/zinc/61/13/73/584611373.db2.gz IEBJETQWYGDTJQ-HGCLJGPKSA-N 2 0 209.337 0.467 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461220 584611677 /nfs/dbraw/zinc/61/16/77/584611677.db2.gz MQQYBHVLISLOTR-LNFKQOIKSA-N 2 0 209.337 0.609 20 0 BCADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C12CCC2 ZINC000902463220 584612707 /nfs/dbraw/zinc/61/27/07/584612707.db2.gz ZYPQELGXKVIKOB-VSSNEEPJSA-N 2 0 221.348 0.739 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902465608 584613952 /nfs/dbraw/zinc/61/39/52/584613952.db2.gz HLCMVSWISFISSM-FPYNETTCSA-N 2 0 223.364 0.986 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902465719 584613998 /nfs/dbraw/zinc/61/39/98/584613998.db2.gz IEBJETQWYGDTJQ-ZIQFBCGOSA-N 2 0 209.337 0.467 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902465609 584614159 /nfs/dbraw/zinc/61/41/59/584614159.db2.gz HLCMVSWISFISSM-NAWOPXAZSA-N 2 0 223.364 0.986 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902465716 584614233 /nfs/dbraw/zinc/61/42/33/584614233.db2.gz IEBJETQWYGDTJQ-MJDLHHQISA-N 2 0 209.337 0.467 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902467649 584614957 /nfs/dbraw/zinc/61/49/57/584614957.db2.gz QJSIYTCAYOTOKK-NJMOYASZSA-N 2 0 223.364 0.857 20 0 BCADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1nccn1C ZINC000902489989 584617541 /nfs/dbraw/zinc/61/75/41/584617541.db2.gz QNSKXHUBOHDXFK-OPRDCNLKSA-N 2 0 208.309 0.808 20 0 BCADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CN1C1CC1 ZINC000902490019 584617543 /nfs/dbraw/zinc/61/75/43/584617543.db2.gz QWQYADWYDALIPX-KKOKHZNYSA-N 2 0 223.364 0.939 20 0 BCADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902491354 584618170 /nfs/dbraw/zinc/61/81/70/584618170.db2.gz VTIJMDWJJGRTFW-ZPFDUUQYSA-N 2 0 223.364 0.796 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000902490804 584618251 /nfs/dbraw/zinc/61/82/51/584618251.db2.gz VXTQQVDWLNHTRL-XYJRDEOASA-N 2 0 239.363 0.080 20 0 BCADRP C[C@@H](NC[C@@H]1CCCCC[NH2+]1)C1C[NH2+]C1 ZINC000902482114 584624227 /nfs/dbraw/zinc/62/42/27/584624227.db2.gz JHLGMGFMCOCWJS-PWSUYJOCSA-N 2 0 211.353 0.716 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000902486339 584625207 /nfs/dbraw/zinc/62/52/07/584625207.db2.gz FBHGAGSIFVHUSJ-IJLUTSLNSA-N 3 0 223.364 0.988 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000902486260 584625463 /nfs/dbraw/zinc/62/54/63/584625463.db2.gz CMEPTPJEBIVVJL-UJPOAAIJSA-N 3 0 223.364 0.701 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000902486259 584625501 /nfs/dbraw/zinc/62/55/01/584625501.db2.gz CMEPTPJEBIVVJL-SYLRKERUSA-N 3 0 223.364 0.701 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000902487187 584626073 /nfs/dbraw/zinc/62/60/73/584626073.db2.gz JKOFUNPLSSFXBF-NAKRPEOUSA-N 3 0 209.337 0.583 20 0 BCADRP CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487028 584626078 /nfs/dbraw/zinc/62/60/78/584626078.db2.gz ISHMPIHHAABPJP-OPRDCNLKSA-N 2 0 234.365 0.137 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000902487099 584626112 /nfs/dbraw/zinc/62/61/12/584626112.db2.gz IMIDJEYKZILYMQ-DDHJBXDOSA-N 3 0 211.353 0.831 20 0 BCADRP C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)C1C[NH2+]C1 ZINC000902517548 584629830 /nfs/dbraw/zinc/62/98/30/584629830.db2.gz JJVGMKPTXJTYPR-AXTRIDKLSA-N 2 0 210.321 0.609 20 0 BCADRP C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)C1C[NH2+]C1 ZINC000902517551 584630088 /nfs/dbraw/zinc/63/00/88/584630088.db2.gz JJVGMKPTXJTYPR-UWJYBYFXSA-N 2 0 210.321 0.609 20 0 BCADRP C[NH+](C)CCC[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903056185 584722296 /nfs/dbraw/zinc/72/22/96/584722296.db2.gz RHGJMRVBJFFIMX-NWDGAFQWSA-N 2 0 228.336 0.476 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903426438 584760932 /nfs/dbraw/zinc/76/09/32/584760932.db2.gz IVUGKEHPXJYDLW-WYUUTHIRSA-N 2 0 227.352 0.162 20 0 BCADRP NC(=O)C[C@H]1CCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000903440391 584763096 /nfs/dbraw/zinc/76/30/96/584763096.db2.gz WKUYOSKTZUOKMY-GRYCIOLGSA-N 2 0 239.363 0.701 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCSC[C@H]2CCO)C1 ZINC000903441444 584763837 /nfs/dbraw/zinc/76/38/37/584763837.db2.gz SGEXRTNSCPFDMA-QJPTWQEYSA-N 2 0 244.404 0.914 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)C1CC[NH2+]CC1 ZINC000903422017 584763948 /nfs/dbraw/zinc/76/39/48/584763948.db2.gz SZXJXPDYJOYBMY-MNOVXSKESA-N 2 0 211.353 0.526 20 0 BCADRP C[C@H]1C[NH+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)N1 ZINC000903422439 584764183 /nfs/dbraw/zinc/76/41/83/584764183.db2.gz CUDKNFOYLSUPMS-YFKTTZPYSA-N 2 0 211.353 0.796 20 0 BCADRP CON1CC[C@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)C1=O ZINC000903423638 584764223 /nfs/dbraw/zinc/76/42/23/584764223.db2.gz ZBQLQCOBQAGXGJ-KOLCDFICSA-N 2 0 241.335 0.208 20 0 BCADRP CCCN(C[C@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000903423351 584764225 /nfs/dbraw/zinc/76/42/25/584764225.db2.gz SOQFITNEPFKBAV-VXGBXAGGSA-N 2 0 211.353 0.812 20 0 BCADRP CON1CC[C@@H]([NH+]2CCC([C@H](C)[NH3+])CC2)C1=O ZINC000903423631 584764621 /nfs/dbraw/zinc/76/46/21/584764621.db2.gz ZBQLQCOBQAGXGJ-GXSJLCMTSA-N 2 0 241.335 0.208 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903422847 584764705 /nfs/dbraw/zinc/76/47/05/584764705.db2.gz JXXIFZDVLIUZFG-WZRBSPASSA-N 3 0 225.380 0.901 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000903425034 584765311 /nfs/dbraw/zinc/76/53/11/584765311.db2.gz PCBAKNLYLPLKCY-WYUUTHIRSA-N 2 0 211.353 0.511 20 0 BCADRP C[C@@H]1CCCN(C[C@H]2CCC[NH2+]2)[C@@H]1C[NH3+] ZINC000903424852 584765444 /nfs/dbraw/zinc/76/54/44/584765444.db2.gz JDCXKOBCKMTZKX-IJLUTSLNSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCO1 ZINC000903458727 584765519 /nfs/dbraw/zinc/76/55/19/584765519.db2.gz IHCMYLYVIBLGNH-WYUUTHIRSA-N 2 0 212.337 0.999 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000903459558 584765866 /nfs/dbraw/zinc/76/58/66/584765866.db2.gz LANNKSFZDSRQQZ-NEPJUHHUSA-N 2 0 209.337 0.566 20 0 BCADRP COCC[NH2+]C1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903461035 584766560 /nfs/dbraw/zinc/76/65/60/584766560.db2.gz NMMALSQYKAUJBM-CYBMUJFWSA-N 2 0 241.379 0.439 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1CN(C[C@H]1CCC[NH2+]1)C2 ZINC000903460656 584766771 /nfs/dbraw/zinc/76/67/71/584766771.db2.gz HAMJYLJBWMJQCI-XQQFMLRXSA-N 2 0 223.364 0.799 20 0 BCADRP [NH3+][C@@]12CCC[C@H]1CN(C[C@H]1CCC[NH2+]1)C2 ZINC000903464502 584766905 /nfs/dbraw/zinc/76/69/05/584766905.db2.gz PTMFHCRNSSCAHM-QJPTWQEYSA-N 2 0 209.337 0.552 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000903464133 584767223 /nfs/dbraw/zinc/76/72/23/584767223.db2.gz AWLSJNFTNBENKY-VOAKCMCISA-N 3 0 223.364 0.655 20 0 BCADRP [NH3+][C@@]12CCC[C@@H]1CN(CCOC1CC1)C2 ZINC000903464208 584767259 /nfs/dbraw/zinc/76/72/59/584767259.db2.gz DFGKYCSDNMUSIQ-ZYHUDNBSSA-N 2 0 210.321 0.979 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCc2nccnc2C1 ZINC000903464125 584767457 /nfs/dbraw/zinc/76/74/57/584767457.db2.gz ASSKYYHORVECED-MNOVXSKESA-N 2 0 232.331 0.690 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH2+][C@H](C)[C@H]1C ZINC000903450157 584771905 /nfs/dbraw/zinc/77/19/05/584771905.db2.gz NFUSIDFFKXZTPY-KKOKHZNYSA-N 2 0 211.353 0.524 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903450365 584772358 /nfs/dbraw/zinc/77/23/58/584772358.db2.gz UZEYIBOEJCQRRO-NWDGAFQWSA-N 2 0 211.353 0.799 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@H]1CCC[NH2+]1 ZINC000903454968 584773528 /nfs/dbraw/zinc/77/35/28/584773528.db2.gz PFDWXNROXKOWAA-DDHJBXDOSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C[C@H]1CCC[NH2+]1 ZINC000903455331 584774130 /nfs/dbraw/zinc/77/41/30/584774130.db2.gz UNPIDHGYNNUFFS-QJPTWQEYSA-N 2 0 211.353 0.763 20 0 BCADRP C[C@H]1C[N@H+](C)[C@@H](C)CN1C[C@H]1CCC[NH2+]1 ZINC000903455332 584774196 /nfs/dbraw/zinc/77/41/96/584774196.db2.gz UNPIDHGYNNUFFS-SDDRHHMPSA-N 2 0 211.353 0.763 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000903474210 584776568 /nfs/dbraw/zinc/77/65/68/584776568.db2.gz IXHSEGTXOFWELI-WOPDTQHZSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@@H](c1ncccn1)N(C)CCOCC[NH3+] ZINC000903474749 584776671 /nfs/dbraw/zinc/77/66/71/584776671.db2.gz SESPVOWPOHRLNN-JTQLQIEISA-N 2 0 224.308 0.445 20 0 BCADRP C[NH2+]CCOCCN(C)[C@H](C)c1ncccn1 ZINC000903474939 584776845 /nfs/dbraw/zinc/77/68/45/584776845.db2.gz VRNHMTGITGCXIT-LLVKDONJSA-N 2 0 238.335 0.705 20 0 BCADRP [NH3+][C@@H]1CC[C@H](CN2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000903475915 584776917 /nfs/dbraw/zinc/77/69/17/584776917.db2.gz HSOYLOYNGQCCNG-UMSGYPCISA-N 2 0 223.364 0.940 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C[C@H]3CCC[NH2+]3)CC[C@@H]21 ZINC000903476464 584777119 /nfs/dbraw/zinc/77/71/19/584777119.db2.gz XREFVPAVLOKUOX-UPJWGTAASA-N 2 0 223.364 0.764 20 0 BCADRP [NH3+][C@H]1CCCCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903476722 584777338 /nfs/dbraw/zinc/77/73/38/584777338.db2.gz HJYRDBBCRBBEAC-NWDGAFQWSA-N 2 0 211.353 0.942 20 0 BCADRP C(N[C@H]1CC[NH2+]C12CCCC2)[C@H]1CC[NH2+]C1 ZINC000903483660 584779289 /nfs/dbraw/zinc/77/92/89/584779289.db2.gz JESTWQFLRSPILV-RYUDHWBXSA-N 2 0 223.364 0.860 20 0 BCADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]2)C[C@H]1CC[NH3+] ZINC000903498387 584780219 /nfs/dbraw/zinc/78/02/19/584780219.db2.gz FGNNNQRYOBCWIT-IJLUTSLNSA-N 3 0 211.353 0.655 20 0 BCADRP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CC[NH3+] ZINC000903499666 584780279 /nfs/dbraw/zinc/78/02/79/584780279.db2.gz XUHGLVHJMOJUCC-UTUOFQBUSA-N 2 0 239.363 0.524 20 0 BCADRP CC[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491210 584781132 /nfs/dbraw/zinc/78/11/32/584781132.db2.gz ZIKHYRDNBAZQMC-NGZCFLSTSA-N 2 0 212.293 0.219 20 0 BCADRP C[NH2+]CCCN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903540887 584781632 /nfs/dbraw/zinc/78/16/32/584781632.db2.gz PRIHKYMEXZHLFW-DTWKUNHWSA-N 2 0 239.285 0.807 20 0 BCADRP C[NH2+]C[C@@H]1CCCCN1C[C@H]1C[NH2+]CCO1 ZINC000903526484 584781824 /nfs/dbraw/zinc/78/18/24/584781824.db2.gz IBCBIUTVRZZHKL-NWDGAFQWSA-N 2 0 227.352 0.049 20 0 BCADRP CC1(C)C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1N ZINC000903556987 584783097 /nfs/dbraw/zinc/78/30/97/584783097.db2.gz JBMZWQQVHAOTRK-WDEREUQCSA-N 3 0 211.353 0.655 20 0 BCADRP C[NH2+]CCN(C[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000903575425 584783786 /nfs/dbraw/zinc/78/37/86/584783786.db2.gz OIMVRMWKETZPJV-NEPJUHHUSA-N 2 0 213.369 0.772 20 0 BCADRP C[C@@H]1CN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC[NH2+]1 ZINC000903716392 584791878 /nfs/dbraw/zinc/79/18/78/584791878.db2.gz LWYMPBCYEKCPEQ-FRRDWIJNSA-N 2 0 239.363 0.049 20 0 BCADRP COC[C@@](C)(CCO)[NH2+]C[C@@H]1CCCC[NH2+]C1 ZINC000903732801 584792801 /nfs/dbraw/zinc/79/28/01/584792801.db2.gz HZNKKCFEJAIXHX-CHWSQXEVSA-N 2 0 244.379 0.753 20 0 BCADRP CC[N@H+](CCCO)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903732596 584792878 /nfs/dbraw/zinc/79/28/78/584792878.db2.gz GRQJPWQFXKPTSR-QWHCGFSZSA-N 2 0 242.363 0.459 20 0 BCADRP CC[C@H]1C(=O)NCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000903712556 584792989 /nfs/dbraw/zinc/79/29/89/584792989.db2.gz NTTVQAJOYAHCFY-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP O[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@H]1F ZINC000903712933 584793764 /nfs/dbraw/zinc/79/37/64/584793764.db2.gz VPNAACSISLSICX-MNOVXSKESA-N 2 0 216.300 0.391 20 0 BCADRP C[NH2+][C@H]1CCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903713505 584793882 /nfs/dbraw/zinc/79/38/82/584793882.db2.gz UEIJHEYHHDJBEM-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP CN(C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1CC[NH2+]C1 ZINC000903715887 584794131 /nfs/dbraw/zinc/79/41/31/584794131.db2.gz BFFZDPONFUJSGD-AVGNSLFASA-N 2 0 239.363 0.049 20 0 BCADRP C[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)C[C@H]1[NH3+] ZINC000903753034 584796156 /nfs/dbraw/zinc/79/61/56/584796156.db2.gz YMHGCYOKHHPTKS-IJLUTSLNSA-N 2 0 211.353 0.655 20 0 BCADRP [NH3+]C[C@H]1CN(C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000903744389 584796578 /nfs/dbraw/zinc/79/65/78/584796578.db2.gz RSCAMENXVJQKEH-NEPJUHHUSA-N 2 0 227.352 0.036 20 0 BCADRP O[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903763003 584797225 /nfs/dbraw/zinc/79/72/25/584797225.db2.gz GORKFAZZJOEQJS-FRRDWIJNSA-N 2 0 240.347 0.212 20 0 BCADRP C[N@H+](C[C@@H]1COCCO1)C[C@@H]1CCCC[NH2+]C1 ZINC000903765453 584797371 /nfs/dbraw/zinc/79/73/71/584797371.db2.gz HKAFTLYXVMGMLX-CHWSQXEVSA-N 2 0 242.363 0.723 20 0 BCADRP C[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000903776552 584798953 /nfs/dbraw/zinc/79/89/53/584798953.db2.gz UNKDGOJKVULRKA-JHJVBQTASA-N 2 0 225.380 0.903 20 0 BCADRP C[C@H]([NH3+])CN(C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903775073 584798996 /nfs/dbraw/zinc/79/89/96/584798996.db2.gz HGNFZJKMCJGRAP-SDDRHHMPSA-N 2 0 227.352 0.034 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C[C@H]1CCCC[NH2+]C1 ZINC000903779162 584799596 /nfs/dbraw/zinc/79/95/96/584799596.db2.gz UYYVCSNXMKEMNZ-WOPDTQHZSA-N 2 0 211.353 0.798 20 0 BCADRP [NH3+][C@]1(CO)CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903786098 584800103 /nfs/dbraw/zinc/80/01/03/584800103.db2.gz DJTJXDTZNWDBCX-CHWSQXEVSA-N 2 0 241.379 0.162 20 0 BCADRP [NH3+][C@H]1CCCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903786458 584800229 /nfs/dbraw/zinc/80/02/29/584800229.db2.gz JDJRVSMBLBLIFC-RWMBFGLXSA-N 2 0 239.363 0.178 20 0 BCADRP [NH3+]C[C@H]1CCCN1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903784280 584800254 /nfs/dbraw/zinc/80/02/54/584800254.db2.gz MZMXWSCWHKSEAN-FRRDWIJNSA-N 2 0 239.363 0.178 20 0 BCADRP [NH3+]C[C@@]12CC[C@@H]1CCCN2C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000903802344 584802174 /nfs/dbraw/zinc/80/21/74/584802174.db2.gz RYTXBOKXUIQLKT-CYDGBPFRSA-N 2 0 241.354 0.890 20 0 BCADRP NC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000903826323 584804865 /nfs/dbraw/zinc/80/48/65/584804865.db2.gz IELMYXWXOBCUSM-MDZLAQPJSA-N 2 0 237.347 0.183 20 0 BCADRP CC[N@H+](CCC(=O)NC)C[C@H]1CC[NH2+]C1 ZINC000903827426 584804942 /nfs/dbraw/zinc/80/49/42/584804942.db2.gz SHXBRCBDRGIWGB-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@H+](C)[C@H]1CC[C@@H]1OC ZINC000903830162 584805762 /nfs/dbraw/zinc/80/57/62/584805762.db2.gz VIBHFQORZRJQLA-DCAQKATOSA-N 2 0 216.325 0.066 20 0 BCADRP C[C@@H]1CCOCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903833450 584805974 /nfs/dbraw/zinc/80/59/74/584805974.db2.gz WVOAHQBNXYJEFB-VXGBXAGGSA-N 2 0 240.347 0.618 20 0 BCADRP C[C@H]1CCOCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903833808 584805982 /nfs/dbraw/zinc/80/59/82/584805982.db2.gz YEGFTCLQPRYJIA-NWDGAFQWSA-N 2 0 240.347 0.476 20 0 BCADRP C[C@@H]1CCOCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903833804 584805985 /nfs/dbraw/zinc/80/59/85/584805985.db2.gz YEGFTCLQPRYJIA-NEPJUHHUSA-N 2 0 240.347 0.476 20 0 BCADRP COCC[C@H]1CNCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903838494 584806431 /nfs/dbraw/zinc/80/64/31/584806431.db2.gz YMCWGFJTGFVEBW-OLZOCXBDSA-N 2 0 241.379 0.296 20 0 BCADRP COCC[C@@H]1C[NH2+]CCN1CCCCCC[NH3+] ZINC000903837217 584806842 /nfs/dbraw/zinc/80/68/42/584806842.db2.gz FXYMLLIIVHCVBH-CYBMUJFWSA-N 2 0 243.395 0.816 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CCC[NH2+]C1CC1)C2 ZINC000903839023 584807359 /nfs/dbraw/zinc/80/73/59/584807359.db2.gz HHPQIVOVHGVPPP-GVXVVHGQSA-N 2 0 223.364 0.940 20 0 BCADRP NC[C@@]12CC[C@@H]1CC[N@@H+]2CC1CC[NH2+]CC1 ZINC000903850133 584808230 /nfs/dbraw/zinc/80/82/30/584808230.db2.gz KWAJNJBSVOBTFJ-OLZOCXBDSA-N 2 0 223.364 0.799 20 0 BCADRP NC[C@@]12CC[C@@H]1CC[N@@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903861217 584811617 /nfs/dbraw/zinc/81/16/17/584811617.db2.gz WFONAOPRHVIMDU-NDBYEHHHSA-N 2 0 223.364 0.927 20 0 BCADRP C(C[NH2+]C1CC1)CN1CCC[C@@]12CC[NH2+]C2 ZINC000903869089 584813702 /nfs/dbraw/zinc/81/37/02/584813702.db2.gz BCMNYCQCRZCMMA-ZDUSSCGKSA-N 2 0 223.364 0.956 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)CCO1 ZINC000903873909 584815901 /nfs/dbraw/zinc/81/59/01/584815901.db2.gz NZGOUFFRTZORFF-CIUDSAMLSA-N 2 0 237.294 0.017 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873308 584815932 /nfs/dbraw/zinc/81/59/32/584815932.db2.gz GVSZTUFDKSFMIB-AEJSXWLSSA-N 2 0 233.306 0.795 20 0 BCADRP C[C@@H]1CNCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903874043 584816086 /nfs/dbraw/zinc/81/60/86/584816086.db2.gz RBHJUDDZONOGLY-ODWCKFRGSA-N 2 0 223.364 0.811 20 0 BCADRP C[NH2+][C@@H]1CCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903873633 584816194 /nfs/dbraw/zinc/81/61/94/584816194.db2.gz JVCXHYWVENCAHG-JGVFFNPUSA-N 2 0 207.268 0.263 20 0 BCADRP COC[C@@H]1C[NH2+]CCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903883161 584818190 /nfs/dbraw/zinc/81/81/90/584818190.db2.gz UFSVCIQUUMRSQQ-OLZOCXBDSA-N 2 0 241.379 0.296 20 0 BCADRP C[C@H]1C[C@@H](O)C[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903914774 584819155 /nfs/dbraw/zinc/81/91/55/584819155.db2.gz WDSBODRDOHHABI-OFIBSPLFSA-N 2 0 224.348 0.972 20 0 BCADRP CNC(=O)[C@@H](C)CN(C)C[C@@H]([NH3+])CC(F)F ZINC000903898152 584819748 /nfs/dbraw/zinc/81/97/48/584819748.db2.gz JUMFFIXZGRROPV-YUMQZZPRSA-N 2 0 237.294 0.283 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H]([NH3+])CC(F)F ZINC000903906366 584821267 /nfs/dbraw/zinc/82/12/67/584821267.db2.gz VUDSKPBELPMXEN-YIZRAAEISA-N 2 0 221.295 0.651 20 0 BCADRP C([NH2+][C@@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918567 584822574 /nfs/dbraw/zinc/82/25/74/584822574.db2.gz BULVFLRPDOKVCO-FGNRJIRKSA-N 3 0 209.337 0.469 20 0 BCADRP CC1(C[NH2+]C[C@@H]([NH3+])CC(F)F)CC[NH2+]CC1 ZINC000903920594 584822907 /nfs/dbraw/zinc/82/29/07/584822907.db2.gz WHPMNEXEFDTYHG-VIFPVBQESA-N 3 0 235.322 0.948 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]([NH3+])CC(F)F ZINC000903918834 584822935 /nfs/dbraw/zinc/82/29/35/584822935.db2.gz JCLXTJQVFHXQGG-CIUDSAMLSA-N 2 0 221.295 0.699 20 0 BCADRP [NH3+][C@@H](CNCCC[NH2+]C1CC1)CC(F)F ZINC000903920527 584823200 /nfs/dbraw/zinc/82/32/00/584823200.db2.gz VTWKJDJTKKDSFH-MRVPVSSYSA-N 2 0 221.295 0.701 20 0 BCADRP CC1(C)CN(C[C@H]([NH3+])CC(F)F)CC[NH2+]1 ZINC000903918752 584823375 /nfs/dbraw/zinc/82/33/75/584823375.db2.gz HAJYYVDLIPTSNM-MRVPVSSYSA-N 2 0 221.295 0.653 20 0 BCADRP C[C@H](C[NH3+])C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920724 584823382 /nfs/dbraw/zinc/82/33/82/584823382.db2.gz WWYIAGXLBODBGD-WAAKLRNESA-N 3 0 211.353 0.701 20 0 BCADRP CC(C)([NH3+])CC[NH2+]Cc1cnc2cnccn12 ZINC000903939191 584823928 /nfs/dbraw/zinc/82/39/28/584823928.db2.gz UFYGHCQQOLVTEN-UHFFFAOYSA-N 2 0 233.319 0.946 20 0 BCADRP C[C@@H]1CCN(C[C@H]([NH3+])CC(F)F)C[C@H]1C[NH3+] ZINC000903929814 584824066 /nfs/dbraw/zinc/82/40/66/584824066.db2.gz LZBAECODAWZKDR-OPRDCNLKSA-N 2 0 235.322 0.886 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000903929173 584824369 /nfs/dbraw/zinc/82/43/69/584824369.db2.gz BIKWQMBVMXQJNP-KOLCDFICSA-N 2 0 233.306 0.797 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1CCC2(CC[NH2+]2)CC1 ZINC000903930500 584824923 /nfs/dbraw/zinc/82/49/23/584824923.db2.gz ZCFWOMDPYXMCNM-SECBINFHSA-N 2 0 233.306 0.797 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC[C@@H]([NH3+])CC(F)F ZINC000903932513 584825001 /nfs/dbraw/zinc/82/50/01/584825001.db2.gz DCCYWMJTGXLMLW-DTWKUNHWSA-N 2 0 223.311 0.932 20 0 BCADRP CC[N@H+](CCN)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903934431 584825643 /nfs/dbraw/zinc/82/56/43/584825643.db2.gz HDCQSSGTWXKYIA-YOGCLGLASA-N 2 0 211.353 0.798 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903935123 584825887 /nfs/dbraw/zinc/82/58/87/584825887.db2.gz NQCYJZISURFJBF-XHNCKOQMSA-N 2 0 219.279 0.405 20 0 BCADRP [NH3+][C@H](CNC[C@H]1CCCC[NH2+]1)CC(F)F ZINC000903918285 584827089 /nfs/dbraw/zinc/82/70/89/584827089.db2.gz WGOZPLNWOYAYME-DTWKUNHWSA-N 2 0 221.295 0.701 20 0 BCADRP CN(C[C@H]([NH3+])CC(F)F)C1CC([NH3+])C1 ZINC000903918143 584827179 /nfs/dbraw/zinc/82/71/79/584827179.db2.gz SZTFBTUQHSGBTO-ZUEIMRROSA-N 2 0 207.268 0.390 20 0 BCADRP [NH3+]CC1(CNC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903957664 584827757 /nfs/dbraw/zinc/82/77/57/584827757.db2.gz SETBJDOUUAMRJW-VIFPVBQESA-N 2 0 233.306 0.560 20 0 BCADRP CC(C)[C@H](C[NH3+])CNCCC(C)(C)[NH3+] ZINC000903939668 584828835 /nfs/dbraw/zinc/82/88/35/584828835.db2.gz KWDXXOVLZZJOFS-SNVBAGLBSA-N 2 0 201.358 0.934 20 0 BCADRP CC(C)([NH3+])CC[NH2+]Cc1cnc(N)s1 ZINC000903939821 584828955 /nfs/dbraw/zinc/82/89/55/584828955.db2.gz NREPCOFTUZRRRK-UHFFFAOYSA-N 2 0 214.338 0.942 20 0 BCADRP CCC1([NH3+])CCN(C2CC[NH2+]CC2)CC1 ZINC000903947556 584829508 /nfs/dbraw/zinc/82/95/08/584829508.db2.gz AVMDXUHOEILOLO-UHFFFAOYSA-N 2 0 211.353 0.942 20 0 BCADRP C[NH+]1CCC(NCc2cc(N)cc[nH+]2)CC1 ZINC000903950155 584830871 /nfs/dbraw/zinc/83/08/71/584830871.db2.gz JAYKYJXFFNUCQT-UHFFFAOYSA-N 2 0 220.320 0.848 20 0 BCADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956233 584831941 /nfs/dbraw/zinc/83/19/41/584831941.db2.gz JMXTXGMMPBXGIM-GUBZILKMSA-N 2 0 234.290 0.998 20 0 BCADRP FC1(F)CC[NH2+]C[C@@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000903955873 584832015 /nfs/dbraw/zinc/83/20/15/584832015.db2.gz BOEGUWGUZBLTKJ-MNOVXSKESA-N 2 0 247.333 0.963 20 0 BCADRP FC1(F)CC[NH2+]C[C@@H]1CNC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000903956213 584832045 /nfs/dbraw/zinc/83/20/45/584832045.db2.gz IZBUMOFALWVGHM-MXWKQRLJSA-N 2 0 245.317 0.430 20 0 BCADRP CC(C)([NH3+])CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973573 584832463 /nfs/dbraw/zinc/83/24/63/584832463.db2.gz PHAWMHWQSIFKQP-NSHDSACASA-N 2 0 241.379 0.472 20 0 BCADRP C[C@H]1OCC[C@H]1[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903974442 584832731 /nfs/dbraw/zinc/83/27/31/584832731.db2.gz MYRFSQXCGBXFIM-DDHJBXDOSA-N 2 0 212.337 0.999 20 0 BCADRP CC(C)([NH3+])CN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903983288 584832886 /nfs/dbraw/zinc/83/28/86/584832886.db2.gz DXHQJWIMSUQMEL-SFYZADRCSA-N 2 0 239.285 0.935 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000903979002 584832946 /nfs/dbraw/zinc/83/29/46/584832946.db2.gz RQHBKVDKBJGBQU-UPJWGTAASA-N 3 0 225.380 0.821 20 0 BCADRP CC(C)([NH3+])CN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903983289 584833116 /nfs/dbraw/zinc/83/31/16/584833116.db2.gz DXHQJWIMSUQMEL-YUMQZZPRSA-N 2 0 239.285 0.935 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1NC[C@H]([NH3+])CC(F)F ZINC000903963539 584833360 /nfs/dbraw/zinc/83/33/60/584833360.db2.gz AQSZZUINOBLHEN-BWZBUEFSSA-N 2 0 207.268 0.166 20 0 BCADRP [NH3+]CC1(CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903982358 584833419 /nfs/dbraw/zinc/83/34/19/584833419.db2.gz NFKLAOTVXAAPRP-HTQZYQBOSA-N 2 0 237.269 0.547 20 0 BCADRP [NH3+][C@@H]1CN(C[C@]23C[C@H]2C[NH2+]C3)C[C@H]1C(F)(F)F ZINC000903981499 584833565 /nfs/dbraw/zinc/83/35/65/584833565.db2.gz DMUFTELJECPIRA-SGIHWFKDSA-N 2 0 249.280 0.417 20 0 BCADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000903964716 584833786 /nfs/dbraw/zinc/83/37/86/584833786.db2.gz UIRGJRRLVYESOA-WISYIIOYSA-N 2 0 211.353 0.715 20 0 BCADRP CC[N@@H+]1CC[C@@H](N[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000903963865 584834106 /nfs/dbraw/zinc/83/41/06/584834106.db2.gz IANKLUDQANPRPV-YVECIDJPSA-N 2 0 225.380 0.914 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000903964748 584834728 /nfs/dbraw/zinc/83/47/28/584834728.db2.gz POLDFPNEWQJIQX-NZEXEKPDSA-N 3 0 223.364 0.572 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000903964750 584834747 /nfs/dbraw/zinc/83/47/47/584834747.db2.gz POLDFPNEWQJIQX-UJPOAAIJSA-N 3 0 223.364 0.572 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1C[NH2+]C[C@H](C)C1 ZINC000903967686 584834900 /nfs/dbraw/zinc/83/49/00/584834900.db2.gz KQDDOERAGPWLRU-WISYIIOYSA-N 2 0 211.353 0.430 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000903968521 584835000 /nfs/dbraw/zinc/83/50/00/584835000.db2.gz XFPPPSCONUYFLL-PEBLQZBPSA-N 3 0 237.391 0.820 20 0 BCADRP C[C@@H](C[C@@H]1CCC[NH2+]1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967995 584835118 /nfs/dbraw/zinc/83/51/18/584835118.db2.gz OKDGXFHZKCFFKI-VOAKCMCISA-N 2 0 225.380 0.962 20 0 BCADRP CC1(C)CN(C[C@]2(C)CC[NH2+]C2)C[C@@H]1[NH3+] ZINC000903986572 584835393 /nfs/dbraw/zinc/83/53/93/584835393.db2.gz MKCBGNBFIJZODV-CMPLNLGQSA-N 2 0 211.353 0.655 20 0 BCADRP CC[N@H+](CCC(N)=O)C[C@@]1(C)CC[NH2+]C1 ZINC000903987576 584836148 /nfs/dbraw/zinc/83/61/48/584836148.db2.gz HHXUOYTWHFAGTG-NSHDSACASA-N 2 0 213.325 0.183 20 0 BCADRP C[NH2+][C@@H]1CCN(Cc2ccc(C[NH3+])cc2)C1 ZINC000904299400 584860164 /nfs/dbraw/zinc/86/01/64/584860164.db2.gz CHGMHGFNWLNLNL-CYBMUJFWSA-N 2 0 219.332 0.939 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299473 584860474 /nfs/dbraw/zinc/86/04/74/584860474.db2.gz FKPGNAUKMZZHKE-UTUOFQBUSA-N 3 0 211.353 0.655 20 0 BCADRP CN(C[C@]1(C)CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000904299559 584860504 /nfs/dbraw/zinc/86/05/04/584860504.db2.gz HYOGJUIIQONJFK-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]C[C@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904299670 584860600 /nfs/dbraw/zinc/86/06/00/584860600.db2.gz LKDRJMCYYJFHKI-CHWSQXEVSA-N 2 0 225.380 0.917 20 0 BCADRP C[C@@H]1CN(C[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000904299425 584860730 /nfs/dbraw/zinc/86/07/30/584860730.db2.gz DDRYOXNYJPTJSW-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]C[C@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904299671 584860817 /nfs/dbraw/zinc/86/08/17/584860817.db2.gz LKDRJMCYYJFHKI-OLZOCXBDSA-N 2 0 225.380 0.917 20 0 BCADRP C[C@@]1(CN2CCC[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000904300194 584861032 /nfs/dbraw/zinc/86/10/32/584861032.db2.gz YOKMZAJVCNOFJB-NWDGAFQWSA-N 2 0 211.353 0.799 20 0 BCADRP COC(=O)C1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904301469 584861446 /nfs/dbraw/zinc/86/14/46/584861446.db2.gz ITBDHSJMARNBEU-JGZJWPJOSA-N 2 0 226.320 0.609 20 0 BCADRP [NH3+][C@H]1C[C@@H](CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000904301144 584861541 /nfs/dbraw/zinc/86/15/41/584861541.db2.gz HQLNOXIYBMCYNA-KXNHARMFSA-N 3 0 209.337 0.550 20 0 BCADRP C[C@]1(CN2CCC[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000904300195 584861596 /nfs/dbraw/zinc/86/15/96/584861596.db2.gz YOKMZAJVCNOFJB-RYUDHWBXSA-N 2 0 211.353 0.799 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(Cc2ccc(C[NH3+])cc2)CCO1 ZINC000904302385 584861764 /nfs/dbraw/zinc/86/17/64/584861764.db2.gz VENAMICYLXNKHT-FZMZJTMJSA-N 3 0 249.358 0.693 20 0 BCADRP [NH3+]CCCOC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904301995 584862086 /nfs/dbraw/zinc/86/20/86/584862086.db2.gz RYIRKSSLHDBZIR-TXEJJXNPSA-N 3 0 241.379 0.554 20 0 BCADRP CC[C@H]1CN(Cc2ccc(N)nn2)CC[C@H]1[NH3+] ZINC000904302677 584862134 /nfs/dbraw/zinc/86/21/34/584862134.db2.gz YAYMRAUKDYULGP-GXSJLCMTSA-N 2 0 235.335 0.618 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000904302062 584862277 /nfs/dbraw/zinc/86/22/77/584862277.db2.gz UNQOULOQJNUJCH-WYUUTHIRSA-N 2 0 211.353 0.783 20 0 BCADRP CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308481 584862785 /nfs/dbraw/zinc/86/27/85/584862785.db2.gz QUXOYKYJZFHTCF-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904309285 584862906 /nfs/dbraw/zinc/86/29/06/584862906.db2.gz GNEZIPWLNYQCAB-BBBLOLIVSA-N 2 0 212.293 0.219 20 0 BCADRP CC[N@H+](CCC(=O)OC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313708 584863718 /nfs/dbraw/zinc/86/37/18/584863718.db2.gz YERSFIUJMUDFDB-AOOOYVTPSA-N 2 0 214.309 0.609 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](CCO)C2)C1 ZINC000904318493 584864086 /nfs/dbraw/zinc/86/40/86/584864086.db2.gz QUDVOZWZRZMDFG-UTUOFQBUSA-N 2 0 212.337 0.818 20 0 BCADRP COC(=O)CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C(C)C ZINC000904320533 584864231 /nfs/dbraw/zinc/86/42/31/584864231.db2.gz KHUXXCGOGKRKCZ-PHIMTYICSA-N 2 0 228.336 0.997 20 0 BCADRP CCS(=O)(=O)CC[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322453 584864625 /nfs/dbraw/zinc/86/46/25/584864625.db2.gz CFPQSYVMXZMGGW-AOOOYVTPSA-N 2 0 234.365 0.090 20 0 BCADRP C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321661 584864861 /nfs/dbraw/zinc/86/48/61/584864861.db2.gz BBKZXQOFSJCEKH-DBIOUOCHSA-N 2 0 248.392 0.477 20 0 BCADRP CNC(=O)[C@H](C)C[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325968 584865189 /nfs/dbraw/zinc/86/51/89/584865189.db2.gz AMFDDXOEBBQILB-BBBLOLIVSA-N 2 0 213.325 0.038 20 0 BCADRP COC[C@](C)(CCO)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904328210 584865277 /nfs/dbraw/zinc/86/52/77/584865277.db2.gz BKBHQERNWHYBFI-AXFHLTTASA-N 2 0 216.325 0.101 20 0 BCADRP CC[C@@H](CO)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904324762 584865431 /nfs/dbraw/zinc/86/54/31/584865431.db2.gz KWUSQLRICJMNEM-XQQFMLRXSA-N 2 0 241.379 0.112 20 0 BCADRP NC(=O)C[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325998 584865635 /nfs/dbraw/zinc/86/56/35/584865635.db2.gz BGEMYYJTUAAVQX-MXWKQRLJSA-N 2 0 225.336 0.311 20 0 BCADRP CNC(=O)[C@@H](C)C[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325969 584865675 /nfs/dbraw/zinc/86/56/75/584865675.db2.gz AMFDDXOEBBQILB-LPEHRKFASA-N 2 0 213.325 0.038 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)C1 ZINC000904328808 584866029 /nfs/dbraw/zinc/86/60/29/584866029.db2.gz SRJBVXHNPQCTRH-RWMBFGLXSA-N 2 0 249.362 0.727 20 0 BCADRP CC[C@@](C)(CCO)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904328819 584866182 /nfs/dbraw/zinc/86/61/82/584866182.db2.gz HYLNOWWPWJNVCH-AXFHLTTASA-N 2 0 200.326 0.864 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000904334389 584866345 /nfs/dbraw/zinc/86/63/45/584866345.db2.gz UTFSWKXPEIUKTK-XQQFMLRXSA-N 3 0 223.364 0.799 20 0 BCADRP Nc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)nn1 ZINC000904333967 584866444 /nfs/dbraw/zinc/86/64/44/584866444.db2.gz HVVMPIBQRCTHTL-JTQLQIEISA-N 2 0 235.335 0.620 20 0 BCADRP COC[C@@](C)(CC(=O)OC)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904333243 584866567 /nfs/dbraw/zinc/86/65/67/584866567.db2.gz VSJDRIPMFFCURO-JFGNBEQYSA-N 2 0 244.335 0.282 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@H]3CCC[C@@H](C2)N3)C1 ZINC000904334362 584866781 /nfs/dbraw/zinc/86/67/81/584866781.db2.gz UIOUMTMZJPNLLE-BKUVIOGVSA-N 2 0 209.337 0.550 20 0 BCADRP CC[C@]1(CO)CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904340574 584866833 /nfs/dbraw/zinc/86/68/33/584866833.db2.gz JOIHZNVOKYFBCT-GRYCIOLGSA-N 2 0 212.337 0.961 20 0 BCADRP CC(C)OC[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904341552 584867210 /nfs/dbraw/zinc/86/72/10/584867210.db2.gz OYYSLRAVLQSDEU-XQQFMLRXSA-N 2 0 242.363 0.850 20 0 BCADRP CC(C)C[C@H]1C(=O)NCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341186 584867364 /nfs/dbraw/zinc/86/73/64/584867364.db2.gz KBWSJOVQHUIDQM-TUAOUCFPSA-N 2 0 239.363 0.570 20 0 BCADRP CC[N@H+](CCOCCO)C[C@]1(C)CCC[NH2+]C1 ZINC000904346817 584868116 /nfs/dbraw/zinc/86/81/16/584868116.db2.gz ZZPZQHWJMJFMRT-CYBMUJFWSA-N 2 0 244.379 0.707 20 0 BCADRP C[N@H+](C[C@]1(C)CCC[NH2+]C1)C1CC(O)C1 ZINC000904345803 584868227 /nfs/dbraw/zinc/86/82/27/584868227.db2.gz NLXHHSDUTNVWDB-HTAVTVPLSA-N 2 0 212.337 0.831 20 0 BCADRP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904347949 584868395 /nfs/dbraw/zinc/86/83/95/584868395.db2.gz LBGOBSJRFYWESM-HGCLJGPKSA-N 2 0 237.347 0.310 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@](F)(CO)C2)C1 ZINC000904350392 584869064 /nfs/dbraw/zinc/86/90/64/584869064.db2.gz KIFIZQZKOMCTSB-KXUCPTDWSA-N 2 0 202.273 0.130 20 0 BCADRP [NH3+]Cc1ccc(CN[C@H](C[NH3+])C2CC2)cc1 ZINC000904351340 584869438 /nfs/dbraw/zinc/86/94/38/584869438.db2.gz YBQFZOVBTDZJMT-CYBMUJFWSA-N 2 0 219.332 0.972 20 0 BCADRP [NH3+]Cc1ccc(CN[C@@H](C[NH3+])C2CC2)cc1 ZINC000904351341 584869613 /nfs/dbraw/zinc/86/96/13/584869613.db2.gz YBQFZOVBTDZJMT-ZDUSSCGKSA-N 2 0 219.332 0.972 20 0 BCADRP C[C@H]([NH2+]C1CC(C[NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000904353181 584869717 /nfs/dbraw/zinc/86/97/17/584869717.db2.gz HVDVRYINFLCNSV-UZEXVOJHSA-N 2 0 211.353 0.701 20 0 BCADRP Nc1ccc(CNC[C@H]2CCC[NH2+]C2)nn1 ZINC000904353245 584869979 /nfs/dbraw/zinc/86/99/79/584869979.db2.gz JTERCMLTJUUEGB-VIFPVBQESA-N 2 0 221.308 0.148 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC000904354285 584870139 /nfs/dbraw/zinc/87/01/39/584870139.db2.gz DKXHFJOEMKNENF-ZJUUUORDSA-N 2 0 207.321 0.971 20 0 BCADRP C[C@@]1(C[NH2+]CC[C@@H]2CC[NH2+]C2)CCC[NH2+]C1 ZINC000904353856 584870376 /nfs/dbraw/zinc/87/03/76/584870376.db2.gz SVNPWKRQDWNQJC-QWHCGFSZSA-N 3 0 225.380 0.965 20 0 BCADRP [NH3+]CCN1CCC([NH2+][C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000904354598 584870420 /nfs/dbraw/zinc/87/04/20/584870420.db2.gz HDLRXULABRPJFE-YPMHNXCESA-N 3 0 240.395 0.127 20 0 BCADRP C[C@]1(CNC[C@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000904353767 584870537 /nfs/dbraw/zinc/87/05/37/584870537.db2.gz QVYIEPBSVXGZDD-NEPJUHHUSA-N 2 0 211.353 0.718 20 0 BCADRP Nc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)nn1 ZINC000904354834 584870685 /nfs/dbraw/zinc/87/06/85/584870685.db2.gz JNOYYZNXJYQWFO-IUCAKERBSA-N 2 0 221.308 0.276 20 0 BCADRP CC1(C[NH2+]C2CC(C[NH3+])C2)CC[NH2+]CC1 ZINC000904354973 584870810 /nfs/dbraw/zinc/87/08/10/584870810.db2.gz IPDMZSKKNCXZKO-UHFFFAOYSA-N 3 0 211.353 0.703 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000904354822 584870834 /nfs/dbraw/zinc/87/08/34/584870834.db2.gz HDSLJBBJIPTOCX-AGIUHOORSA-N 2 0 225.380 0.964 20 0 BCADRP C[C@@]1(CNCC2([NH3+])CCC2)CCC[NH2+]C1 ZINC000904356094 584871213 /nfs/dbraw/zinc/87/12/13/584871213.db2.gz TZTBEPSPFGKCCN-LLVKDONJSA-N 2 0 211.353 0.847 20 0 BCADRP [NH3+]CC[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)C(F)(F)F ZINC000904358815 584872448 /nfs/dbraw/zinc/87/24/48/584872448.db2.gz SQWCCQXLNLCAOX-GJMOJQLCSA-N 2 0 225.258 0.593 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](CO)Cc2ccccc2)C1 ZINC000904368081 584872588 /nfs/dbraw/zinc/87/25/88/584872588.db2.gz HPQUQQARCIKNPA-HZSPNIEDSA-N 2 0 234.343 0.917 20 0 BCADRP COC(=O)C1(C[NH2+]C2CC(C[NH3+])C2)CC1 ZINC000904368701 584872602 /nfs/dbraw/zinc/87/26/02/584872602.db2.gz MIBIGVAHHSRWQL-UHFFFAOYSA-N 2 0 212.293 0.267 20 0 BCADRP Cc1c(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cnn1C ZINC000904367480 584872637 /nfs/dbraw/zinc/87/26/37/584872637.db2.gz CKKWFNWWOKEKGS-JGZJWPJOSA-N 2 0 208.309 0.555 20 0 BCADRP C[C@@H](O)CN1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904368589 584872694 /nfs/dbraw/zinc/87/26/94/584872694.db2.gz LRSVQTZYQMNVRL-LPWJVIDDSA-N 2 0 241.379 0.111 20 0 BCADRP [NH3+]CCN1CCC([NH2+][C@@H]2CCCOCC2)CC1 ZINC000904368304 584872928 /nfs/dbraw/zinc/87/29/28/584872928.db2.gz PZDXBNLARMPOQU-GFCCVEGCSA-N 2 0 241.379 0.568 20 0 BCADRP C[C@@H]1[C@@H](CO)CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904372744 584873779 /nfs/dbraw/zinc/87/37/79/584873779.db2.gz IDZQAZBULKWYLS-KKOKHZNYSA-N 2 0 212.337 0.817 20 0 BCADRP [NH3+]CC1CC([NH2+][C@@H]2CCO[C@H]2C2CC2)C1 ZINC000904388333 584874827 /nfs/dbraw/zinc/87/48/27/584874827.db2.gz HAVWOKHZAVZORX-PPUYLDTBSA-N 2 0 210.321 0.881 20 0 BCADRP CCOC(=O)[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000904388787 584874861 /nfs/dbraw/zinc/87/48/61/584874861.db2.gz BALJVDLUEYSHLS-DGCLKSJQSA-N 2 0 240.347 0.871 20 0 BCADRP C[C@@]1(CN[C@@H](C[NH3+])C(F)(F)F)CCC[NH2+]C1 ZINC000904377452 584876097 /nfs/dbraw/zinc/87/60/97/584876097.db2.gz PWOXASOAWAGGCP-DTWKUNHWSA-N 2 0 239.285 0.855 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000904380132 584876596 /nfs/dbraw/zinc/87/65/96/584876596.db2.gz IQRQAANOVLTQTI-WISYIIOYSA-N 3 0 209.337 0.537 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000904384542 584877146 /nfs/dbraw/zinc/87/71/46/584877146.db2.gz MHLKPYNGQVEKOW-FOGDFJRCSA-N 3 0 211.353 0.701 20 0 BCADRP C[C@@H]1CN(C[C@]2(C)CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000904383911 584877204 /nfs/dbraw/zinc/87/72/04/584877204.db2.gz CWWRSAVOJZCHDX-JHJVBQTASA-N 2 0 225.380 0.903 20 0 BCADRP COC(=O)[C@@]1(C)C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC000904384272 584877258 /nfs/dbraw/zinc/87/72/58/584877258.db2.gz IOZLJDHBQDSTHN-KQXIARHKSA-N 2 0 240.347 0.855 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C[C@H]3C[C@@H]([NH3+])C3)CC[C@H]21 ZINC000904384291 584877398 /nfs/dbraw/zinc/87/73/98/584877398.db2.gz JMZZFACEAYGETM-FVCCEPFGSA-N 2 0 223.364 0.750 20 0 BCADRP COC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCOC1 ZINC000904385974 584877696 /nfs/dbraw/zinc/87/76/96/584877696.db2.gz LSLABXYHGIVALP-NDBYEHHHSA-N 2 0 242.363 0.755 20 0 BCADRP COC[C@H]([NH2+]C1CC(C[NH3+])C1)[C@H]1CCCOC1 ZINC000904385795 584877704 /nfs/dbraw/zinc/87/77/04/584877704.db2.gz GIBFOODPRHDUJD-MVKMKZAISA-N 2 0 242.363 0.755 20 0 BCADRP COC[C@@H]([NH2+]C1CC(C[NH3+])C1)[C@@H]1CCCOC1 ZINC000904385796 584877884 /nfs/dbraw/zinc/87/78/84/584877884.db2.gz GIBFOODPRHDUJD-POOIEITISA-N 2 0 242.363 0.755 20 0 BCADRP C[C@]1(CN2CCC[C@]([NH3+])(CO)C2)CCC[NH2+]C1 ZINC000904407064 584878347 /nfs/dbraw/zinc/87/83/47/584878347.db2.gz MQEFTRUFAUNLQT-QWHCGFSZSA-N 2 0 241.379 0.162 20 0 BCADRP [NH3+]CC[C@@H]1CCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000904407600 584878856 /nfs/dbraw/zinc/87/88/56/584878856.db2.gz XITKNMYMCXFWBM-BDAKNGLRSA-N 2 0 221.295 0.640 20 0 BCADRP C[C@@H]1C[N@H+](CC2(C[NH3+])CC2)CC[C@H]1C[NH3+] ZINC000904410584 584878917 /nfs/dbraw/zinc/87/89/17/584878917.db2.gz PAXIPLQQJDAOOW-MNOVXSKESA-N 3 0 211.353 0.642 20 0 BCADRP C[C@H]1C[N@H+](Cc2cnc(N)cn2)CC[C@H]1C[NH3+] ZINC000904409842 584879044 /nfs/dbraw/zinc/87/90/44/584879044.db2.gz JSIHHBJGDZLGKL-UWVGGRQHSA-N 2 0 235.335 0.476 20 0 BCADRP C[C@H]1C[N@H+](CC2(C[NH3+])CC2)CC[C@H]1C[NH3+] ZINC000904410585 584879190 /nfs/dbraw/zinc/87/91/90/584879190.db2.gz PAXIPLQQJDAOOW-QWRGUYRKSA-N 3 0 211.353 0.642 20 0 BCADRP Nc1cnc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC000904407353 584879290 /nfs/dbraw/zinc/87/92/90/584879290.db2.gz UJGLELFAFPSEDU-VIFPVBQESA-N 2 0 221.308 0.230 20 0 BCADRP C[C@@H]1C[N@H+](Cc2nccn2C)CC[C@H]1C[NH3+] ZINC000904411229 584879481 /nfs/dbraw/zinc/87/94/81/584879481.db2.gz KEHIRVHIURTROZ-MNOVXSKESA-N 2 0 222.336 0.837 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)CC[C@H]1C[NH3+] ZINC000904411715 584879882 /nfs/dbraw/zinc/87/98/82/584879882.db2.gz WVTPQNCETFJIEJ-XQHKEYJVSA-N 3 0 223.364 0.513 20 0 BCADRP C[C@@]1(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCC[NH2+]C1 ZINC000904420210 584882171 /nfs/dbraw/zinc/88/21/71/584882171.db2.gz GSRBURJZWXSSRT-BFHYXJOUSA-N 2 0 237.391 0.917 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000876515867 584885510 /nfs/dbraw/zinc/88/55/10/584885510.db2.gz ZCZUGERFVXNVED-HBNTYKKESA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000876515936 584885655 /nfs/dbraw/zinc/88/56/55/584885655.db2.gz GVVDUABVUDPENU-MDZLAQPJSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)C1 ZINC000876500585 584885678 /nfs/dbraw/zinc/88/56/78/584885678.db2.gz IPJRSHXIKHUYLP-CYLBZQBVSA-N 2 0 237.347 0.492 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@H](F)[C@H]1CC[NH2+]C1)C1CC1 ZINC000876529665 584885911 /nfs/dbraw/zinc/88/59/11/584885911.db2.gz JQWHLOPQAFKAMZ-MKPLZMMCSA-N 2 0 243.326 0.178 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876539247 584886343 /nfs/dbraw/zinc/88/63/43/584886343.db2.gz ACSFBWSUEJVDDZ-UWVGGRQHSA-N 2 0 241.379 0.994 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000876727531 584886862 /nfs/dbraw/zinc/88/68/62/584886862.db2.gz MVAYFELHHYVWDL-GMTAPVOTSA-N 2 0 239.363 0.428 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000876727533 584886911 /nfs/dbraw/zinc/88/69/11/584886911.db2.gz MVAYFELHHYVWDL-OUAUKWLOSA-N 2 0 239.363 0.428 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000876797594 584887300 /nfs/dbraw/zinc/88/73/00/584887300.db2.gz VKZNQOCUNCZCIX-XSNSVMTNSA-N 2 0 225.336 0.252 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000876996736 584888817 /nfs/dbraw/zinc/88/88/17/584888817.db2.gz AVDFHKWVACMCGP-ZYHUDNBSSA-N 2 0 243.326 0.144 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000877102346 584890008 /nfs/dbraw/zinc/89/00/08/584890008.db2.gz FUDNDFAKZHQRGD-ZJUUUORDSA-N 2 0 225.336 0.182 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H](C)C[NH3+] ZINC000834608828 584914105 /nfs/dbraw/zinc/91/41/05/584914105.db2.gz VHJMFCSNVGJTRJ-ONGXEEELSA-N 2 0 221.304 0.458 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884292364 584948644 /nfs/dbraw/zinc/94/86/44/584948644.db2.gz XHTPFZJRKFIVAH-MNOVXSKESA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000740749655 585106339 /nfs/dbraw/zinc/10/63/39/585106339.db2.gz JEHFCGMWYMUTII-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000740749654 585106395 /nfs/dbraw/zinc/10/63/95/585106395.db2.gz JEHFCGMWYMUTII-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH+](C)CCCCC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000747921065 585185927 /nfs/dbraw/zinc/18/59/27/585185927.db2.gz KRIOBAUCRPRAHM-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP CN(C)CC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000760832568 585398290 /nfs/dbraw/zinc/39/82/90/585398290.db2.gz FBEKMNOQOKSNLS-UHFFFAOYSA-N 2 0 213.369 0.822 20 0 BCADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH+](C)C ZINC000763025430 585441674 /nfs/dbraw/zinc/44/16/74/585441674.db2.gz RXEUPTRENGUGRY-SNVBAGLBSA-N 2 0 227.352 0.537 20 0 BCADRP CC(C)[C@@H](C(=O)N1CCN(C)[C@@H](C)C1)[NH+](C)C ZINC000769144825 585549973 /nfs/dbraw/zinc/54/99/73/585549973.db2.gz YBUJIBXACOOAIE-RYUDHWBXSA-N 2 0 241.379 0.735 20 0 BCADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCNC1=O ZINC000769933164 585566078 /nfs/dbraw/zinc/56/60/78/585566078.db2.gz FDAOHGMTDOCEMU-LLVKDONJSA-N 2 0 225.336 0.149 20 0 BCADRP CC[NH+](CC)CCC[NH2+]C1CCN(C=O)CC1 ZINC000774096818 585650378 /nfs/dbraw/zinc/65/03/78/585650378.db2.gz LWUDBQCCFSLPEW-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@@H](CCO)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000779341462 585751729 /nfs/dbraw/zinc/75/17/29/585751729.db2.gz HWUNDEWRINTJIE-WDEREUQCSA-N 2 0 212.337 0.831 20 0 BCADRP COC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000790267996 585962160 /nfs/dbraw/zinc/96/21/60/585962160.db2.gz YPRXGDCDHSTFJS-UHFFFAOYSA-N 2 0 245.367 0.958 20 0 BCADRP CC[NH+](CC)CC[C@@H](CO)[NH2+]C[C@@H](O)C1CC1 ZINC000843105735 586384757 /nfs/dbraw/zinc/38/47/57/586384757.db2.gz UYXDCPLYRXHGBA-QWHCGFSZSA-N 2 0 244.379 0.440 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(C)C1 ZINC000817890316 586831754 /nfs/dbraw/zinc/83/17/54/586831754.db2.gz RTRNBQWFCPFDKG-UTUOFQBUSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000817914335 586839858 /nfs/dbraw/zinc/83/98/58/586839858.db2.gz VHZMJPJHHPUHOQ-GRYCIOLGSA-N 2 0 211.353 0.940 20 0 BCADRP C[C@H]([NH2+][C@H](CCO)C1CC1)[C@H]1CCC[NH2+]1 ZINC000817919706 586839958 /nfs/dbraw/zinc/83/99/58/586839958.db2.gz UIRZQRIBHWZMGN-MVWJERBFSA-N 2 0 212.337 0.878 20 0 BCADRP COc1cccc2c1OC[C@H]([NH2+]CCC[NH3+])C2 ZINC000817938184 586844534 /nfs/dbraw/zinc/84/45/34/586844534.db2.gz GLQKFSNHFBGWJZ-LLVKDONJSA-N 2 0 236.315 0.937 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000818529368 586897745 /nfs/dbraw/zinc/89/77/45/586897745.db2.gz WBKKRWCGNVQTTI-NKVNRFPTSA-N 2 0 227.352 0.698 20 0 BCADRP CN(C(=O)[C@@H]1[NH2+]CC1(C)C)C1CCC([NH3+])CC1 ZINC000818528636 586897831 /nfs/dbraw/zinc/89/78/31/586897831.db2.gz BJKIWKAMCIPECF-ILDUYXDCSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C1([NH3+])CC1 ZINC000818553166 586900152 /nfs/dbraw/zinc/90/01/52/586900152.db2.gz ASOZTIBBTFVLDV-UHFFFAOYSA-N 2 0 245.326 0.916 20 0 BCADRP CC[NH2+]CC(=O)Nc1ccccc1C[NH2+]C ZINC000818560340 586901424 /nfs/dbraw/zinc/90/14/24/586901424.db2.gz MVAMESJFQIIIRB-UHFFFAOYSA-N 2 0 221.304 0.954 20 0 BCADRP CC[NH2+]CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000818574776 586902510 /nfs/dbraw/zinc/90/25/10/586902510.db2.gz NHGGLNMNTDZECX-DCAQKATOSA-N 2 0 225.336 0.182 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)c1cccc(C[NH3+])c1 ZINC000818582460 586903275 /nfs/dbraw/zinc/90/32/75/586903275.db2.gz TUBQKIUVVCXKPS-SNVBAGLBSA-N 2 0 235.331 0.873 20 0 BCADRP CC[NH2+]CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000818595119 586904477 /nfs/dbraw/zinc/90/44/77/586904477.db2.gz COYQUOWXNHCCHG-SNVBAGLBSA-N 2 0 213.325 0.244 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cccc(C[NH3+])c1 ZINC000818605046 586905828 /nfs/dbraw/zinc/90/58/28/586905828.db2.gz UQAJEZIBLOHMRB-CABZTGNLSA-N 2 0 233.315 0.707 20 0 BCADRP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000818973472 586919060 /nfs/dbraw/zinc/91/90/60/586919060.db2.gz XHALZFWLYZOOPI-GXFFZTMASA-N 2 0 224.348 0.831 20 0 BCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C[NH+]1CCCC1 ZINC000823753467 587239899 /nfs/dbraw/zinc/23/98/99/587239899.db2.gz PEEOQKBYCYLKCB-LBPRGKRZSA-N 2 0 239.363 0.635 20 0 BCADRP [NH3+][C@H](CC(=O)NCCNc1cc[nH+]cc1)C1CC1 ZINC000827433690 587381069 /nfs/dbraw/zinc/38/10/69/587381069.db2.gz KKYZNGFELBNZLT-GFCCVEGCSA-N 2 0 248.330 0.159 20 0 BCADRP CN(CC[S@](C)=O)C[C@H]1CCC[N@H+](C)C1 ZINC000827878464 587407266 /nfs/dbraw/zinc/40/72/66/587407266.db2.gz WUXYTDZKRBGIKC-NHYWBVRUSA-N 2 0 232.393 0.639 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000829475529 587499723 /nfs/dbraw/zinc/49/97/23/587499723.db2.gz YJBRODKMHYPJTH-GFCCVEGCSA-N 2 0 245.342 0.536 20 0 BCADRP C[C@H]1C[C@H](NC(=O)Cc2ncc[nH]2)C[N@@H+]1C1CC1 ZINC000829864001 587525815 /nfs/dbraw/zinc/52/58/15/587525815.db2.gz UZQGRJGWASYZRT-UWVGGRQHSA-N 2 0 248.330 0.694 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)NCCCCCC[NH3+] ZINC000831166018 587588586 /nfs/dbraw/zinc/58/85/86/587588586.db2.gz NHZCRBTVGAJDFR-NSHDSACASA-N 2 0 244.383 0.755 20 0 BCADRP [NH3+]CCCCCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000831178725 587589829 /nfs/dbraw/zinc/58/98/29/587589829.db2.gz XEOOIRRKCCGTID-SNVBAGLBSA-N 2 0 228.340 0.167 20 0 BCADRP [NH3+]CCCCCCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000831292338 587595913 /nfs/dbraw/zinc/59/59/13/587595913.db2.gz YGGRGNSYPHUPQS-SNVBAGLBSA-N 2 0 228.340 0.248 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)NCCCCCC[NH3+] ZINC000831290692 587595957 /nfs/dbraw/zinc/59/59/57/587595957.db2.gz DTVJGQWUVQINQA-SNVBAGLBSA-N 2 0 230.356 0.494 20 0 BCADRP CC(C)(C[NH3+])NC(=O)NCCCCCC[NH3+] ZINC000831290747 587595993 /nfs/dbraw/zinc/59/59/93/587595993.db2.gz FZBRGRGGWUYZJP-UHFFFAOYSA-N 2 0 230.356 0.542 20 0 BCADRP [NH3+][C@H](CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CC1 ZINC000831700875 587628140 /nfs/dbraw/zinc/62/81/40/587628140.db2.gz PKHJXXSSBSSKPW-TUAOUCFPSA-N 2 0 237.347 0.324 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)C1CC1 ZINC000831860498 587634543 /nfs/dbraw/zinc/63/45/43/587634543.db2.gz VAOUFIKLVUJUOP-CMPLNLGQSA-N 2 0 243.326 0.144 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831970498 587639872 /nfs/dbraw/zinc/63/98/72/587639872.db2.gz HKTOYUYZSLSCDS-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C[NH2+]C1CC1 ZINC000831971480 587640429 /nfs/dbraw/zinc/64/04/29/587640429.db2.gz YQOGUYCESHXULJ-SNVBAGLBSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000831970318 587640480 /nfs/dbraw/zinc/64/04/80/587640480.db2.gz CHQHUCVAGAHJDB-DGCLKSJQSA-N 2 0 239.363 0.587 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000832083507 587644633 /nfs/dbraw/zinc/64/46/33/587644633.db2.gz ZZPDRBRRASIWDW-LBPRGKRZSA-N 2 0 243.326 0.241 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000832135908 587646141 /nfs/dbraw/zinc/64/61/41/587646141.db2.gz UFUHQKVLJDLSPG-PWSUYJOCSA-N 2 0 243.326 0.098 20 0 BCADRP [NH3+]CCCCCC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000832446326 587660436 /nfs/dbraw/zinc/66/04/36/587660436.db2.gz HLOIWZQLMIMEOY-NSHDSACASA-N 2 0 227.352 0.621 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC000832452826 587660709 /nfs/dbraw/zinc/66/07/09/587660709.db2.gz XNVLGVZKCDKMPE-IJLUTSLNSA-N 2 0 239.363 0.524 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000832459737 587661293 /nfs/dbraw/zinc/66/12/93/587661293.db2.gz VWBVIZXOHWCOLQ-MWLCHTKSSA-N 2 0 225.336 0.311 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)c1cccc(C[NH3+])c1 ZINC000832465198 587661535 /nfs/dbraw/zinc/66/15/35/587661535.db2.gz GOLJJJLWPHZUQM-SNVBAGLBSA-N 2 0 233.315 0.579 20 0 BCADRP C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)[C@H]1CCC[NH2+]C1 ZINC000832497427 587663693 /nfs/dbraw/zinc/66/36/93/587663693.db2.gz DCRUCSFNRMHZTH-DLOVCJGASA-N 2 0 239.363 0.618 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000834448446 587754945 /nfs/dbraw/zinc/75/49/45/587754945.db2.gz PJUPTCSXWNTYHF-UHFFFAOYSA-N 2 0 239.363 0.588 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000834448603 587755303 /nfs/dbraw/zinc/75/53/03/587755303.db2.gz RWVYUJFXLMKXOI-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000834460377 587755603 /nfs/dbraw/zinc/75/56/03/587755603.db2.gz KGVCOLUDQOWARP-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000834460410 587755685 /nfs/dbraw/zinc/75/56/85/587755685.db2.gz MNKSLTCRKSVIHJ-RAIGVLPGSA-N 2 0 247.342 0.882 20 0 BCADRP CC1(CNC(=O)C[C@@H]([NH3+])C2CC2)CC[NH2+]CC1 ZINC000834472963 587755847 /nfs/dbraw/zinc/75/58/47/587755847.db2.gz UAKGLMOGQBJARS-LLVKDONJSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCCCC[NH3+] ZINC000834545868 587758832 /nfs/dbraw/zinc/75/88/32/587758832.db2.gz CBKFBJUIKGIFER-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP [NH3+][C@H](CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000834599899 587760334 /nfs/dbraw/zinc/76/03/34/587760334.db2.gz SAVDPAWPFGBZBD-OUAUKWLOSA-N 2 0 225.336 0.500 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000834608642 587760512 /nfs/dbraw/zinc/76/05/12/587760512.db2.gz KXGGNGCBFNLNNE-GXSJLCMTSA-N 2 0 221.304 0.192 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000834608825 587760543 /nfs/dbraw/zinc/76/05/43/587760543.db2.gz VCVMEQXYFJDNQP-ONGXEEELSA-N 2 0 221.304 0.020 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H](C)[NH2+]C2CC2)CC[C@H]1[NH3+] ZINC000834646937 587762613 /nfs/dbraw/zinc/76/26/13/587762613.db2.gz KMNBLVFSSJOJBS-HOSYDEDBSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000834642173 587762662 /nfs/dbraw/zinc/76/26/62/587762662.db2.gz PXEXUGKHAHVKCF-ZWNOBZJWSA-N 2 0 247.342 0.873 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000834672398 587763646 /nfs/dbraw/zinc/76/36/46/587763646.db2.gz BVPDMKIUEUQBJL-SRVKXCTJSA-N 2 0 239.363 0.775 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000834703520 587764795 /nfs/dbraw/zinc/76/47/95/587764795.db2.gz MHLWPHLKFZDGSB-PWSUYJOCSA-N 2 0 243.326 0.275 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000834722978 587764830 /nfs/dbraw/zinc/76/48/30/587764830.db2.gz LMDJKWWNEQDCES-JQWIXIFHSA-N 2 0 225.336 0.311 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCCCCC[NH3+] ZINC000834770263 587765180 /nfs/dbraw/zinc/76/51/80/587765180.db2.gz GTXOYZLGTKNGIK-QWRGUYRKSA-N 2 0 227.352 0.844 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000834785862 587766902 /nfs/dbraw/zinc/76/69/02/587766902.db2.gz IUAMUMLYHRBYIH-MWLCHTKSSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000834786173 587766954 /nfs/dbraw/zinc/76/69/54/587766954.db2.gz LOCBDDDBPQBYEB-MWLCHTKSSA-N 2 0 231.315 0.322 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)c1cccc(C[NH3+])c1 ZINC000834827191 587768069 /nfs/dbraw/zinc/76/80/69/587768069.db2.gz RSZJURBHRWAWNZ-LLVKDONJSA-N 2 0 221.304 0.612 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000834845860 587768476 /nfs/dbraw/zinc/76/84/76/587768476.db2.gz HYNLZOTXFLIMNM-SECBINFHSA-N 2 0 249.305 0.619 20 0 BCADRP [NH3+][C@H](CC(=O)N[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000834846309 587768493 /nfs/dbraw/zinc/76/84/93/587768493.db2.gz RUTOHYDGCIZHCU-RKDXNWHRSA-N 2 0 247.289 0.227 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000834846073 587768644 /nfs/dbraw/zinc/76/86/44/587768644.db2.gz MRDVFXSONAYKIM-YUMQZZPRSA-N 2 0 247.289 0.098 20 0 BCADRP [NH3+][C@@H](CC(=O)N[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000834846308 587768651 /nfs/dbraw/zinc/76/86/51/587768651.db2.gz RUTOHYDGCIZHCU-IUCAKERBSA-N 2 0 247.289 0.227 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000834861331 587768837 /nfs/dbraw/zinc/76/88/37/587768837.db2.gz ILSSAYKFDUTDOB-IEBDPFPHSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CC(=O)N(C)C[C@H]2C)CC[NH2+]1 ZINC000841020307 587935276 /nfs/dbraw/zinc/93/52/76/587935276.db2.gz WDZPAPZGWGMHDZ-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H](CNC(=O)NCCC[NH3+])[NH+]1CCCCC1 ZINC000841725594 587973287 /nfs/dbraw/zinc/97/32/87/587973287.db2.gz NRJZQKGSBLVMHW-LLVKDONJSA-N 2 0 242.367 0.509 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841845690 587976813 /nfs/dbraw/zinc/97/68/13/587976813.db2.gz GDHLTXMXPXPDFP-GXSJLCMTSA-N 2 0 225.336 0.385 20 0 BCADRP [NH3+]CC1(NC(=O)C[C@@H]([NH3+])C2CC2)CCCC1 ZINC000841848489 587977206 /nfs/dbraw/zinc/97/72/06/587977206.db2.gz IYLKONPGABKVCD-SNVBAGLBSA-N 2 0 225.336 0.502 20 0 BCADRP [NH3+][C@@H](CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000841848465 587977247 /nfs/dbraw/zinc/97/72/47/587977247.db2.gz NZPVAMLCVKCIQH-NEPJUHHUSA-N 2 0 237.347 0.467 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)CCCCC[NH3+] ZINC000841848735 587977557 /nfs/dbraw/zinc/97/75/57/587977557.db2.gz REWRXZUOCUEILW-LLVKDONJSA-N 2 0 229.368 0.995 20 0 BCADRP CC[NH2+]CC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000841850256 587977874 /nfs/dbraw/zinc/97/78/74/587977874.db2.gz HCUIYHGMAVSYLV-UHFFFAOYSA-N 2 0 249.358 0.974 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)CC[NH2+]1 ZINC000841851235 587978334 /nfs/dbraw/zinc/97/83/34/587978334.db2.gz IMOUKTAYIBXIQP-PWSUYJOCSA-N 2 0 243.326 0.144 20 0 BCADRP CN(C(=O)C[C@H]([NH3+])C1CC1)C1(C[NH3+])CCC1 ZINC000841852439 587978443 /nfs/dbraw/zinc/97/84/43/587978443.db2.gz JLODPIDLFWMZNF-JTQLQIEISA-N 2 0 225.336 0.454 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000841850653 587978492 /nfs/dbraw/zinc/97/84/92/587978492.db2.gz ASOFKDMBIAXGEC-IEBDPFPHSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)c2cccc(C[NH3+])c2)[C@H]1C ZINC000841850421 587978567 /nfs/dbraw/zinc/97/85/67/587978567.db2.gz SQNCBINXAGDNGB-MNOVXSKESA-N 2 0 247.342 0.968 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000841851776 587978579 /nfs/dbraw/zinc/97/85/79/587978579.db2.gz XDCXGVYNEHVOTH-CYBMUJFWSA-N 2 0 247.342 0.599 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)C[NH3+] ZINC000841983082 587988066 /nfs/dbraw/zinc/98/80/66/587988066.db2.gz YVXCZLCFZFHUOT-UWVGGRQHSA-N 2 0 228.340 0.069 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000842471830 588029122 /nfs/dbraw/zinc/02/91/22/588029122.db2.gz CAINHJOVEHAQNB-LBPRGKRZSA-N 2 0 239.363 0.812 20 0 BCADRP [NH3+]CCCCCCC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000842477844 588030143 /nfs/dbraw/zinc/03/01/43/588030143.db2.gz BTHCVHUVBJSOTF-ZDUSSCGKSA-N 3 0 243.395 0.945 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000842510625 588031641 /nfs/dbraw/zinc/03/16/41/588031641.db2.gz RQJRTPJQJPDRMY-UJNFCWOMSA-N 2 0 211.309 0.062 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842512652 588032265 /nfs/dbraw/zinc/03/22/65/588032265.db2.gz LKKQMXMXSRAGCW-DMDPSCGWSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+]CCCC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842513630 588032389 /nfs/dbraw/zinc/03/23/89/588032389.db2.gz NVIYNHPNQFNPPL-NSHDSACASA-N 2 0 211.309 0.080 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@H]1CO[C@@H](C)C1 ZINC000842667673 588050876 /nfs/dbraw/zinc/05/08/76/588050876.db2.gz BGFUCUYQTNTLED-NWDGAFQWSA-N 2 0 230.352 0.722 20 0 BCADRP Cn1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000843120167 588083854 /nfs/dbraw/zinc/08/38/54/588083854.db2.gz GPLPHDAMTUICHI-UHFFFAOYSA-N 2 0 234.347 0.996 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000843320839 588099849 /nfs/dbraw/zinc/09/98/49/588099849.db2.gz STHXAXSXOWBXJO-JTQLQIEISA-N 2 0 227.352 0.701 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843326738 588099993 /nfs/dbraw/zinc/09/99/93/588099993.db2.gz RLIIRYMGHXSXER-LLVKDONJSA-N 2 0 249.358 0.931 20 0 BCADRP [NH3+]CCOc1cccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000843334864 588100715 /nfs/dbraw/zinc/10/07/15/588100715.db2.gz TXYZSYRUDRJSLB-AOOOYVTPSA-N 2 0 249.314 0.700 20 0 BCADRP C[C@@H](CS(C)(=O)=O)[NH2+]CCCCCC[NH3+] ZINC000843343338 588101587 /nfs/dbraw/zinc/10/15/87/588101587.db2.gz ZLYSMEBTSNGPCK-JTQLQIEISA-N 2 0 236.381 0.528 20 0 BCADRP CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CCC([NH3+])CC1 ZINC000843354452 588103242 /nfs/dbraw/zinc/10/32/42/588103242.db2.gz HJPDSODRMUCMIO-UIXRGBAFSA-N 2 0 237.347 0.180 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(CCCCCCC[NH3+])CCO1 ZINC000843356613 588103972 /nfs/dbraw/zinc/10/39/72/588103972.db2.gz YQSNNJPBJHGSGE-QWHCGFSZSA-N 2 0 243.395 0.944 20 0 BCADRP CC[NH2+]CC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000843452623 588111946 /nfs/dbraw/zinc/11/19/46/588111946.db2.gz UPFIJDLJLJWSQQ-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000843469935 588113009 /nfs/dbraw/zinc/11/30/09/588113009.db2.gz BTMMMPRQMHOANT-JOYOIKCWSA-N 2 0 221.304 0.324 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000843483948 588114247 /nfs/dbraw/zinc/11/42/47/588114247.db2.gz LGORFSYHCOTMDQ-QMMMGPOBSA-N 2 0 249.305 0.617 20 0 BCADRP CC[NH2+]CC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000843484946 588114263 /nfs/dbraw/zinc/11/42/63/588114263.db2.gz XCXJTGMVJWUNRC-UHFFFAOYSA-N 2 0 221.304 0.954 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000843481935 588114339 /nfs/dbraw/zinc/11/43/39/588114339.db2.gz XCLWGBJLCXAAGA-SNVBAGLBSA-N 2 0 227.352 0.748 20 0 BCADRP CC[NH2+]CC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000843498890 588115892 /nfs/dbraw/zinc/11/58/92/588115892.db2.gz VRXNUGQGKIMIBV-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]CCCCCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000843505239 588117095 /nfs/dbraw/zinc/11/70/95/588117095.db2.gz FJJASQUGWRFGEH-NSHDSACASA-N 2 0 227.352 0.764 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCCCCCC[NH3+] ZINC000843505162 588117196 /nfs/dbraw/zinc/11/71/96/588117196.db2.gz CFAXPWPRSRTXNM-SECBINFHSA-N 2 0 201.314 0.359 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCCCCCC[NH3+] ZINC000843505163 588117336 /nfs/dbraw/zinc/11/73/36/588117336.db2.gz CFAXPWPRSRTXNM-VIFPVBQESA-N 2 0 201.314 0.359 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000843511592 588117594 /nfs/dbraw/zinc/11/75/94/588117594.db2.gz PBEUPVSGWUVFGR-AOOOYVTPSA-N 2 0 213.325 0.359 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000843511691 588117701 /nfs/dbraw/zinc/11/77/01/588117701.db2.gz HMQRITMCRILKLF-YPMHNXCESA-N 2 0 239.363 0.621 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000844183041 588172141 /nfs/dbraw/zinc/17/21/41/588172141.db2.gz OGWFEFDFCPVSRX-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(C)C ZINC000844179286 588172196 /nfs/dbraw/zinc/17/21/96/588172196.db2.gz BBZHALWXRGDPTP-GDNZZTSVSA-N 2 0 239.363 0.298 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000844190512 588173008 /nfs/dbraw/zinc/17/30/08/588173008.db2.gz JFHGSKQBXWEJDG-VHSXEESVSA-N 2 0 225.336 0.337 20 0 BCADRP [NH3+]C[C@@H]1CCCN(Cc2cc3n(n2)CCC3)C1 ZINC000846216105 588260499 /nfs/dbraw/zinc/26/04/99/588260499.db2.gz PMYAKGFMGKJFRJ-NSHDSACASA-N 2 0 234.347 1.000 20 0 BCADRP C[NH2+]CCN(C)C(=O)NCCC1CC[NH2+]CC1 ZINC000846213596 588260511 /nfs/dbraw/zinc/26/05/11/588260511.db2.gz JCLLVURBZOHRJP-UHFFFAOYSA-N 2 0 242.367 0.237 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000848429317 588383994 /nfs/dbraw/zinc/38/39/94/588383994.db2.gz PILAWSSRVSJSEI-CYBMUJFWSA-N 2 0 237.347 0.483 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000848438405 588385121 /nfs/dbraw/zinc/38/51/21/588385121.db2.gz SOEKZAFZKLRXAM-VDTYLAMSSA-N 2 0 239.241 0.133 20 0 BCADRP CC[NH+](CC)CCNC(=[NH2+])NC1CCC1 ZINC000848980592 588423678 /nfs/dbraw/zinc/42/36/78/588423678.db2.gz LBFFSGIKGFSDGQ-UHFFFAOYSA-N 2 0 212.341 0.995 20 0 BCADRP C[C@@H]1CN(C(=[NH2+])NCC[NH+]2CCCC2)CCO1 ZINC000848982515 588424222 /nfs/dbraw/zinc/42/42/22/588424222.db2.gz SLBUVUIZRFVVMX-LLVKDONJSA-N 2 0 240.351 0.327 20 0 BCADRP CC(C)C[C@H](CNC1=[NH+]CCN1C)[NH+](C)C ZINC000848983953 588425031 /nfs/dbraw/zinc/42/50/31/588425031.db2.gz YYPTZCQFSBTJPI-LLVKDONJSA-N 2 0 226.368 0.854 20 0 BCADRP CC(C)C[C@H](CNC1=[NH+]C[C@@H](C)N1)[NH+](C)C ZINC000848983933 588425043 /nfs/dbraw/zinc/42/50/43/588425043.db2.gz UAMAIYDPBMYUNC-GHMZBOCLSA-N 2 0 226.368 0.900 20 0 BCADRP CNC(=[NH2+])NCC[N@H+](C)C1CCCCC1 ZINC000848987832 588426083 /nfs/dbraw/zinc/42/60/83/588426083.db2.gz FSZBBVKBDPDKRV-UHFFFAOYSA-N 2 0 212.341 0.995 20 0 BCADRP COC[C@H](C)NC(=[NH2+])NCCC[N@H+](C)C(C)C ZINC000848987689 588426281 /nfs/dbraw/zinc/42/62/81/588426281.db2.gz QRTSXHQTEKIKCY-NSHDSACASA-N 2 0 244.383 0.866 20 0 BCADRP CC(C)(C)[NH2+]CCCNC(=[NH2+])N1CCOCC1 ZINC000848994021 588428430 /nfs/dbraw/zinc/42/84/30/588428430.db2.gz ICNUJQDQHNGZSZ-UHFFFAOYSA-N 2 0 242.367 0.621 20 0 BCADRP CCC[NH+]1CCC(CNC(=[NH2+])NC)CC1 ZINC000848996181 588429291 /nfs/dbraw/zinc/42/92/91/588429291.db2.gz LSXTVNRPONXXBE-UHFFFAOYSA-N 2 0 212.341 0.852 20 0 BCADRP CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCOC ZINC000849001758 588431095 /nfs/dbraw/zinc/43/10/95/588431095.db2.gz AHALKFOZGWPGCK-JTQLQIEISA-N 2 0 228.340 0.231 20 0 BCADRP CCCC[N@H+](C)CCNC(=[NH2+])N1CCC1 ZINC000849005417 588432299 /nfs/dbraw/zinc/43/22/99/588432299.db2.gz CZEVCHOOVDFINB-UHFFFAOYSA-N 2 0 212.341 0.948 20 0 BCADRP CCO[C@H](CC[NH+](C)C)CNC1=[NH+]C[C@@H](C)N1 ZINC000849011973 588435590 /nfs/dbraw/zinc/43/55/90/588435590.db2.gz AWPSBTBIYIFJBE-GHMZBOCLSA-N 2 0 242.367 0.281 20 0 BCADRP CC1CCN(C(=[NH2+])NCCN2CCC2)CC1 ZINC000849014713 588436375 /nfs/dbraw/zinc/43/63/75/588436375.db2.gz UKULGRPKNBTGPK-UHFFFAOYSA-N 2 0 224.352 0.948 20 0 BCADRP C[NH+]1CCC(C)(CNC(=[NH2+])N2CCC2)CC1 ZINC000849016422 588437102 /nfs/dbraw/zinc/43/71/02/588437102.db2.gz AYLXBUPZNKZJGF-UHFFFAOYSA-N 2 0 224.352 0.948 20 0 BCADRP CCOCCCNC(=[NH2+])NC[C@@H](C)C[NH+](C)C ZINC000849030268 588442141 /nfs/dbraw/zinc/44/21/41/588442141.db2.gz HEFBPQSFZAXILZ-LLVKDONJSA-N 2 0 244.383 0.725 20 0 BCADRP CCNC(=[NH2+])NCC[N@@H+]1CCCC1(C)C ZINC000849039160 588446594 /nfs/dbraw/zinc/44/65/94/588446594.db2.gz KUNFIRZCNSBWHY-UHFFFAOYSA-N 2 0 212.341 0.995 20 0 BCADRP C[N@@H+]1CCC[C@@H](CCNC(=[NH2+])NC2CC2)C1 ZINC000849041864 588448453 /nfs/dbraw/zinc/44/84/53/588448453.db2.gz YNEMIYDCAYHSNB-JTQLQIEISA-N 2 0 224.352 0.995 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC2=[NH+]CCCCN2)C1 ZINC000849216121 588462141 /nfs/dbraw/zinc/46/21/41/588462141.db2.gz VIXVOQTYYPLANH-LLVKDONJSA-N 2 0 224.352 0.657 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000849350734 588474768 /nfs/dbraw/zinc/47/47/68/588474768.db2.gz ULYNGOGIISRFTL-UHFFFAOYSA-N 2 0 209.293 0.205 20 0 BCADRP C[C@@H](Cn1cncn1)[NH2+]CCN1CCC[C@H]1C ZINC000850440123 588546427 /nfs/dbraw/zinc/54/64/27/588546427.db2.gz WOIVUVRIMIYLCK-NWDGAFQWSA-N 2 0 237.351 0.741 20 0 BCADRP CON(C)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000850478966 588549998 /nfs/dbraw/zinc/54/99/98/588549998.db2.gz IMFGUZWNVJHRHV-VXGBXAGGSA-N 2 0 227.352 0.696 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCN(C)OC)[C@@H](C)C1 ZINC000850480358 588551197 /nfs/dbraw/zinc/55/11/97/588551197.db2.gz QGXLQAALRPQFES-NWDGAFQWSA-N 2 0 229.368 0.800 20 0 BCADRP C[C@@H](CCO)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000850500572 588552244 /nfs/dbraw/zinc/55/22/44/588552244.db2.gz HUIOVCNPZISQFV-STQMWFEESA-N 2 0 245.411 0.619 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000851634320 588612225 /nfs/dbraw/zinc/61/22/25/588612225.db2.gz CIUOKZQHDMYWHE-ZDUSSCGKSA-N 2 0 239.363 0.587 20 0 BCADRP C[N@H+](C[C@H]1CNC(=O)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000851782208 588627868 /nfs/dbraw/zinc/62/78/68/588627868.db2.gz OHTYFECSRYQJCL-VXGBXAGGSA-N 2 0 239.363 0.396 20 0 BCADRP C[N@H+](C[C@H]1CNCCO1)C1CCC([NH3+])CC1 ZINC000852741624 588698415 /nfs/dbraw/zinc/69/84/15/588698415.db2.gz XBZVHHRDVMNMNY-HTAVTVPLSA-N 2 0 227.352 0.177 20 0 BCADRP O=C1OCCN1[C@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000852755221 588700427 /nfs/dbraw/zinc/70/04/27/588700427.db2.gz HVQWULWAYGWONE-QWRGUYRKSA-N 2 0 239.319 0.122 20 0 BCADRP O=C1OCCN1[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000852755222 588700709 /nfs/dbraw/zinc/70/07/09/588700709.db2.gz HVQWULWAYGWONE-WDEREUQCSA-N 2 0 239.319 0.122 20 0 BCADRP COC(=O)NC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000852762092 588700799 /nfs/dbraw/zinc/70/07/99/588700799.db2.gz YDQJFCNBUMTQJK-SNVBAGLBSA-N 2 0 241.335 0.416 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000852794088 588703123 /nfs/dbraw/zinc/70/31/23/588703123.db2.gz LKGIQCYKXBFJCG-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1CN(C(=O)C=C2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000852797930 588703783 /nfs/dbraw/zinc/70/37/83/588703783.db2.gz CZLUNVCOVDVKOQ-ZYHUDNBSSA-N 2 0 237.347 0.492 20 0 BCADRP [NH3+]C[C@H](NC(=O)C=C1CC[NH2+]CC1)C1CC1 ZINC000852798119 588703847 /nfs/dbraw/zinc/70/38/47/588703847.db2.gz FWHACZZFVSBHKI-NSHDSACASA-N 2 0 223.320 0.150 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@H]2[NH2+]CC23CCCC3)C1 ZINC000852824416 588705747 /nfs/dbraw/zinc/70/57/47/588705747.db2.gz BDFLGBSYYOPECR-WDEREUQCSA-N 2 0 237.347 0.326 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2[NH2+]CC23CCCC3)C1 ZINC000852826315 588705941 /nfs/dbraw/zinc/70/59/41/588705941.db2.gz STDLHJMPZAUEPL-MNOVXSKESA-N 2 0 237.347 0.339 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1[NH2+]CC12CCCC2 ZINC000852825688 588706080 /nfs/dbraw/zinc/70/60/80/588706080.db2.gz NSTPSTXPDVOCTE-GHMZBOCLSA-N 2 0 237.347 0.387 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000852864269 588709140 /nfs/dbraw/zinc/70/91/40/588709140.db2.gz QROOERNIMHCFPU-PWSUYJOCSA-N 2 0 243.326 0.289 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000852867784 588709443 /nfs/dbraw/zinc/70/94/43/588709443.db2.gz CDDJCGKWLHYMSA-GHMZBOCLSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000852870288 588709598 /nfs/dbraw/zinc/70/95/98/588709598.db2.gz RGTFAHFZMLJITG-FXBDTBDDSA-N 2 0 229.299 0.025 20 0 BCADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC1([NH3+])CC1 ZINC000852874013 588709886 /nfs/dbraw/zinc/70/98/86/588709886.db2.gz JBSMHYISEODUDP-FGWVZKOKSA-N 2 0 237.347 0.739 20 0 BCADRP C[NH2+]CCN(C)C(=O)C1([NH2+]C2CC2)CCC1 ZINC000852874748 588710018 /nfs/dbraw/zinc/71/00/18/588710018.db2.gz OFUQJAZTWZWHLQ-UHFFFAOYSA-N 2 0 225.336 0.339 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C=C1CC[NH2+]CC1 ZINC000852877725 588710310 /nfs/dbraw/zinc/71/03/10/588710310.db2.gz JXUCDQKKMVGBRS-SNVBAGLBSA-N 2 0 225.336 0.410 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)C=C2CC[NH2+]CC2)[C@@H]1C ZINC000852878093 588710445 /nfs/dbraw/zinc/71/04/45/588710445.db2.gz HSZUUIMIZSXEMK-GHMZBOCLSA-N 2 0 237.347 0.505 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C=C1CC[NH2+]CC1 ZINC000852876857 588710481 /nfs/dbraw/zinc/71/04/81/588710481.db2.gz VQNPYMCDECLINT-JQWIXIFHSA-N 2 0 237.347 0.410 20 0 BCADRP C[N@@H+]1CCCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852876375 588710524 /nfs/dbraw/zinc/71/05/24/588710524.db2.gz ZPNYCMMKWLSDKF-UHFFFAOYSA-N 2 0 237.347 0.460 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C=C2CC[NH2+]CC2)CC[NH2+]1 ZINC000852878757 588710800 /nfs/dbraw/zinc/71/08/00/588710800.db2.gz OCCZUKPYGGDPFA-CMPLNLGQSA-N 2 0 237.347 0.553 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000852881907 588710829 /nfs/dbraw/zinc/71/08/29/588710829.db2.gz SGURTBAAGCIFKX-LBPRGKRZSA-N 2 0 249.358 0.555 20 0 BCADRP [NH3+]CC[C@H](NC(=O)C=C1CC[NH2+]CC1)C(F)F ZINC000852882057 588710891 /nfs/dbraw/zinc/71/08/91/588710891.db2.gz WTMFFLMWISOYMV-VIFPVBQESA-N 2 0 247.289 0.395 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)C=C1CC[NH2+]CC1 ZINC000852882185 588710977 /nfs/dbraw/zinc/71/09/77/588710977.db2.gz ZQNMLWSSQLSJMZ-JTQLQIEISA-N 2 0 225.336 0.540 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)C=C1CC[NH2+]CC1 ZINC000852882054 588711063 /nfs/dbraw/zinc/71/10/63/588711063.db2.gz WSBMXSCOKWODIE-LLVKDONJSA-N 2 0 239.363 0.930 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852882996 588711341 /nfs/dbraw/zinc/71/13/41/588711341.db2.gz UQSJDARTDLOKJH-NEPJUHHUSA-N 2 0 237.347 0.540 20 0 BCADRP [NH3+]CCCCCCNC(=O)CC1([NH3+])CC1 ZINC000852894199 588711722 /nfs/dbraw/zinc/71/17/22/588711722.db2.gz HQFMUASOASTFNS-UHFFFAOYSA-N 2 0 213.325 0.503 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000852891971 588711846 /nfs/dbraw/zinc/71/18/46/588711846.db2.gz DCTAURDSNWCQFA-GFCCVEGCSA-N 2 0 223.320 0.222 20 0 BCADRP [NH3+]C1(CNC(=O)C=C2CC[NH2+]CC2)CCCC1 ZINC000852905951 588712575 /nfs/dbraw/zinc/71/25/75/588712575.db2.gz JGEDARWLXNAAJB-UHFFFAOYSA-N 2 0 237.347 0.684 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000861565082 589168420 /nfs/dbraw/zinc/16/84/20/589168420.db2.gz FJWUICPETYPSJE-UWVGGRQHSA-N 2 0 228.340 0.069 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)NCC[N@H+](C)C1CC1 ZINC000861575819 589169038 /nfs/dbraw/zinc/16/90/38/589169038.db2.gz RNUHDMOFSVQDGS-SECBINFHSA-N 2 0 228.340 0.069 20 0 BCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861632528 589171199 /nfs/dbraw/zinc/17/11/99/589171199.db2.gz GEYDDTXOGFBSOQ-QWRGUYRKSA-N 2 0 244.383 0.704 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861640838 589171987 /nfs/dbraw/zinc/17/19/87/589171987.db2.gz OZJCGFIGUIYDRS-ZJUUUORDSA-N 2 0 230.356 0.348 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000861640419 589172168 /nfs/dbraw/zinc/17/21/68/589172168.db2.gz CRHJMVVQLCTUES-ZYHUDNBSSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@@H](NC(=O)N(C)C[C@H](C)[NH3+])[C@H]1CCC[NH2+]C1 ZINC000861638976 589172197 /nfs/dbraw/zinc/17/21/97/589172197.db2.gz ILXOYKIZPQBFCT-AXFHLTTASA-N 2 0 242.367 0.363 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)NCC1([NH3+])CCCC1 ZINC000861649140 589172823 /nfs/dbraw/zinc/17/28/23/589172823.db2.gz CSFDQDKGYZRKGA-SECBINFHSA-N 2 0 228.340 0.247 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000861648717 589172978 /nfs/dbraw/zinc/17/29/78/589172978.db2.gz VCAGDOAPXCOSQJ-GARJFASQSA-N 2 0 242.367 0.315 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861647839 589172911 /nfs/dbraw/zinc/17/29/11/589172911.db2.gz NCBOFMIPPTVYBL-CIUDSAMLSA-N 2 0 216.329 0.101 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861652988 589173358 /nfs/dbraw/zinc/17/33/58/589173358.db2.gz QGUQMYYKMHUROM-VHSXEESVSA-N 2 0 230.356 0.348 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000861689615 589174335 /nfs/dbraw/zinc/17/43/35/589174335.db2.gz DMTNBFCQXRPLBO-GUBZILKMSA-N 2 0 228.340 0.116 20 0 BCADRP COC(=O)C1=CC[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000863541664 589297287 /nfs/dbraw/zinc/29/72/87/589297287.db2.gz LITSGEJDVHVGET-WOPDTQHZSA-N 2 0 238.331 0.965 20 0 BCADRP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000863541662 589297434 /nfs/dbraw/zinc/29/74/34/589297434.db2.gz LITSGEJDVHVGET-SDDRHHMPSA-N 2 0 238.331 0.965 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000863544634 589297645 /nfs/dbraw/zinc/29/76/45/589297645.db2.gz ZUJJMYFKJTZDIL-GFCCVEGCSA-N 2 0 242.363 0.771 20 0 BCADRP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000863541606 589297460 /nfs/dbraw/zinc/29/74/60/589297460.db2.gz KETYHMFLQYPGEL-GARJFASQSA-N 2 0 224.304 0.718 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@H]1CCC12CCOCC2 ZINC000863544798 589297735 /nfs/dbraw/zinc/29/77/35/589297735.db2.gz BEZGVRKKPNKCGI-LBPRGKRZSA-N 2 0 242.363 0.901 20 0 BCADRP CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000863546138 589298137 /nfs/dbraw/zinc/29/81/37/589298137.db2.gz FAZCDOYDCOBNMB-CIUDSAMLSA-N 2 0 217.313 0.110 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000863544796 589298148 /nfs/dbraw/zinc/29/81/48/589298148.db2.gz BEZGVRKKPNKCGI-GFCCVEGCSA-N 2 0 242.363 0.901 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000863544506 589298155 /nfs/dbraw/zinc/29/81/55/589298155.db2.gz WDWMGJYOKVQYMX-NSHDSACASA-N 2 0 238.335 0.613 20 0 BCADRP CC[C@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)[NH+](C)C ZINC000863584808 589301526 /nfs/dbraw/zinc/30/15/26/589301526.db2.gz DWEWQYGYQMAUIB-BDAKNGLRSA-N 2 0 249.305 0.440 20 0 BCADRP CC[C@@H](C(=O)N1CCC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000863585258 589302159 /nfs/dbraw/zinc/30/21/59/589302159.db2.gz SYQZKDDWJJLZHQ-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@H]([NH3+])CN(C)Cc1nc2c(s1)C[NH2+]CC2 ZINC000863651183 589307104 /nfs/dbraw/zinc/30/71/04/589307104.db2.gz CKSSVQNYSNWOBY-QMMMGPOBSA-N 2 0 240.376 0.568 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000863972752 589330964 /nfs/dbraw/zinc/33/09/64/589330964.db2.gz OXWJRTVJAHZLMM-DDHJBXDOSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000863972751 589330997 /nfs/dbraw/zinc/33/09/97/589330997.db2.gz OXWJRTVJAHZLMM-BJDJZHNGSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000863972753 589331114 /nfs/dbraw/zinc/33/11/14/589331114.db2.gz OXWJRTVJAHZLMM-FIQHERPVSA-N 2 0 239.363 0.618 20 0 BCADRP CC1(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]CC1 ZINC000863972985 589331116 /nfs/dbraw/zinc/33/11/16/589331116.db2.gz ZASVTDAHHCTRPV-XYPYZODXSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H]1C[C@H]1NC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000864450227 589364044 /nfs/dbraw/zinc/36/40/44/589364044.db2.gz IFXJZXJLRONQAZ-WDEREUQCSA-N 2 0 224.352 0.995 20 0 BCADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[NH+]1CCCC1 ZINC000864450247 589364072 /nfs/dbraw/zinc/36/40/72/589364072.db2.gz IOFLRNUZVCKROF-NXEZZACHSA-N 2 0 210.325 0.605 20 0 BCADRP [NH2+]=C(NCCC1CC1)NCC[NH+]1CCCC1 ZINC000864450291 589364254 /nfs/dbraw/zinc/36/42/54/589364254.db2.gz JQMWPRXQINVUPO-UHFFFAOYSA-N 2 0 224.352 0.996 20 0 BCADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[NH+]1CCCC1 ZINC000864450250 589364308 /nfs/dbraw/zinc/36/43/08/589364308.db2.gz IOFLRNUZVCKROF-ZJUUUORDSA-N 2 0 210.325 0.605 20 0 BCADRP [NH2+]=C(NCCNc1cc[nH+]cc1)NCCC1CC1 ZINC000864455000 589366684 /nfs/dbraw/zinc/36/66/84/589366684.db2.gz CMFLVBZDGQJZAE-UHFFFAOYSA-N 2 0 247.346 0.829 20 0 BCADRP Nc1ccc2c(c1)OCCN(CCC[NH3+])C2 ZINC000866688909 589512454 /nfs/dbraw/zinc/51/24/54/589512454.db2.gz CGMBSSIXBZEIBW-UHFFFAOYSA-N 2 0 221.304 0.812 20 0 BCADRP [NH3+]CCCCCCC[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000866704392 589513288 /nfs/dbraw/zinc/51/32/88/589513288.db2.gz SYYMFMHJQQGDDO-NEPJUHHUSA-N 2 0 230.352 0.323 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866704729 589513746 /nfs/dbraw/zinc/51/37/46/589513746.db2.gz XDOAQMJBUJKQSI-MNOVXSKESA-N 2 0 230.377 0.647 20 0 BCADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000866706297 589514421 /nfs/dbraw/zinc/51/44/21/589514421.db2.gz HEASAFPCIXDBRH-ZWNOBZJWSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]CCC[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000866704878 589514511 /nfs/dbraw/zinc/51/45/11/589514511.db2.gz ZPEYYSIGUHWSMU-ZDUSSCGKSA-N 2 0 242.363 0.995 20 0 BCADRP C(CN1CCC[C@@H]2[NH2+]CC[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000866723967 589516029 /nfs/dbraw/zinc/51/60/29/589516029.db2.gz KLTKMMORSBSOTD-AVGNSLFASA-N 2 0 223.364 0.812 20 0 BCADRP C[C@@H](NC(=O)[C@H](C)[C@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000868006572 589543936 /nfs/dbraw/zinc/54/39/36/589543936.db2.gz UCHXOZNEZKOYQB-KXUCPTDWSA-N 2 0 227.352 0.474 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868013100 589544163 /nfs/dbraw/zinc/54/41/63/589544163.db2.gz NJWVNPVIUDBHDF-ZJUUUORDSA-N 2 0 227.352 0.346 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868012795 589544177 /nfs/dbraw/zinc/54/41/77/589544177.db2.gz VLIOHMIKVPQSAP-IUCAKERBSA-N 2 0 213.325 0.086 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868012440 589544263 /nfs/dbraw/zinc/54/42/63/589544263.db2.gz GGEAAXDJKXGXQS-VIFPVBQESA-N 2 0 213.325 0.100 20 0 BCADRP C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000868013101 589544466 /nfs/dbraw/zinc/54/44/66/589544466.db2.gz NKZAQYZBIAYESI-GWCFXTLKSA-N 2 0 239.363 0.490 20 0 BCADRP CC[NH2+]CC(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000868049396 589546971 /nfs/dbraw/zinc/54/69/71/589546971.db2.gz WKFBNLBIVYIPKI-LLVKDONJSA-N 2 0 247.342 0.760 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000870866235 589692253 /nfs/dbraw/zinc/69/22/53/589692253.db2.gz OVLWCLIQVQONAC-QJPTWQEYSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000870872410 589693196 /nfs/dbraw/zinc/69/31/96/589693196.db2.gz UVENNRBTZBHIBE-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000870892830 589695280 /nfs/dbraw/zinc/69/52/80/589695280.db2.gz NDMSVVJZWIYGER-GMTAPVOTSA-N 2 0 227.352 0.665 20 0 BCADRP C[C@H](CNC(=O)CCC12CC(C1)C[NH2+]2)[NH+](C)C ZINC000870921118 589697043 /nfs/dbraw/zinc/69/70/43/589697043.db2.gz MPHFORDFMOQNCA-XSRFYTQQSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000870928965 589697558 /nfs/dbraw/zinc/69/75/58/589697558.db2.gz NICAIGMHNQUEJZ-OPRDCNLKSA-N 2 0 225.336 0.465 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870934226 589697975 /nfs/dbraw/zinc/69/79/75/589697975.db2.gz HTVQGRICKHXPGR-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH2+]CCCNC(=O)CC[NH2+]CC1CC1 ZINC000870932567 589698082 /nfs/dbraw/zinc/69/80/82/589698082.db2.gz HPWMGFFIVLVWTM-UHFFFAOYSA-N 2 0 227.352 0.492 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870933906 589698251 /nfs/dbraw/zinc/69/82/51/589698251.db2.gz AKYUBFJKRQMITD-LPEHRKFASA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C[C@H](C)[NH2+]1 ZINC000870935711 589698384 /nfs/dbraw/zinc/69/83/84/589698384.db2.gz BLMPKCXAZMTRPY-OQEOFVATSA-N 2 0 237.347 0.323 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)NCC[NH2+]C2CC2)CC1 ZINC000870935935 589698425 /nfs/dbraw/zinc/69/84/25/589698425.db2.gz VBQBMCDXUOBOMW-MGCOHNPYSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870935040 589698615 /nfs/dbraw/zinc/69/86/15/589698615.db2.gz TXIHGCZQWAMOJB-LLVKDONJSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870940386 589699075 /nfs/dbraw/zinc/69/90/75/589699075.db2.gz IOCVTGPCKNHWQK-UGCHFJIKSA-N 2 0 237.347 0.228 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)CC[NH2+]CC1CC1 ZINC000870938805 589699077 /nfs/dbraw/zinc/69/90/77/589699077.db2.gz FYGBHOMTYJATKD-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000870939191 589699174 /nfs/dbraw/zinc/69/91/74/589699174.db2.gz MMVGOKOZRGONTR-VPOLOUISSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870941586 589699517 /nfs/dbraw/zinc/69/95/17/589699517.db2.gz YZMJAELNUDJGJT-HMUNZLOLSA-N 2 0 237.347 0.228 20 0 BCADRP O=C(CC[NH2+]CC1CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000870942185 589699591 /nfs/dbraw/zinc/69/95/91/589699591.db2.gz HYTVQLBFBSPRSL-TXEJJXNPSA-N 2 0 237.347 0.054 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)C(F)F ZINC000870944099 589699982 /nfs/dbraw/zinc/69/99/82/589699982.db2.gz BJVKPIXOZGUERL-CIUDSAMLSA-N 2 0 249.305 0.603 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C(F)F ZINC000870944178 589700025 /nfs/dbraw/zinc/70/00/25/589700025.db2.gz CGIIBLHEKHPBOL-UVMAFCGOSA-N 2 0 247.289 0.213 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870943056 589700027 /nfs/dbraw/zinc/70/00/27/589700027.db2.gz FGHAVGPOYZAINE-ZDUSSCGKSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000870947038 589700316 /nfs/dbraw/zinc/70/03/16/589700316.db2.gz WRYJYXYHUIUYLH-BBBLOLIVSA-N 2 0 213.325 0.167 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000870946705 589700378 /nfs/dbraw/zinc/70/03/78/589700378.db2.gz LAYBNYJMQGQVGA-BBGACYKPSA-N 2 0 249.358 0.372 20 0 BCADRP C[C@@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@H](C)[NH3+] ZINC000870947393 589700827 /nfs/dbraw/zinc/70/08/27/589700827.db2.gz PDASQCSWRMQTTO-JXUBOQSCSA-N 2 0 213.325 0.356 20 0 BCADRP [NH3+]CC1(CCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870949354 589700894 /nfs/dbraw/zinc/70/08/94/589700894.db2.gz BLDDRYSQUXVUDC-NRUUGDAUSA-N 2 0 237.347 0.359 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC2([NH3+])CCCC2)C1 ZINC000870953673 589701023 /nfs/dbraw/zinc/70/10/23/589701023.db2.gz ITTOCUFYCFYKDW-OPQQBVKSSA-N 2 0 237.347 0.502 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000870959806 589701421 /nfs/dbraw/zinc/70/14/21/589701421.db2.gz WTINURVORAWLRN-VGYDOTAVSA-N 2 0 249.358 0.454 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000870959805 589701668 /nfs/dbraw/zinc/70/16/68/589701668.db2.gz WTINURVORAWLRN-BJUWDHJGSA-N 2 0 249.358 0.454 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965618 589702171 /nfs/dbraw/zinc/70/21/71/589702171.db2.gz TUJRKVDKHBXVEY-LOWVWBTDSA-N 2 0 247.342 0.848 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965910 589702204 /nfs/dbraw/zinc/70/22/04/589702204.db2.gz XWYBRRTZZUTZSX-UKKRHICBSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000870966637 589702726 /nfs/dbraw/zinc/70/27/26/589702726.db2.gz OKWAHTUVDOWAJD-JGZJWPJOSA-N 2 0 244.298 0.801 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870971742 589702993 /nfs/dbraw/zinc/70/29/93/589702993.db2.gz HMJHJHWZPLSBGS-XWLWVQCSSA-N 2 0 225.336 0.228 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870970824 589703042 /nfs/dbraw/zinc/70/30/42/589703042.db2.gz LJNDTMSRZVPTSV-MGCOHNPYSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870970432 589703093 /nfs/dbraw/zinc/70/30/93/589703093.db2.gz VJDAZHPAXDQWQO-MGCOHNPYSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870981487 589703147 /nfs/dbraw/zinc/70/31/47/589703147.db2.gz IXTCKXWOFKATSV-VWYCJHECSA-N 2 0 225.336 0.276 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000870972783 589703528 /nfs/dbraw/zinc/70/35/28/589703528.db2.gz VCRBLQKMASORFG-SRVKXCTJSA-N 2 0 239.363 0.620 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973169 589704033 /nfs/dbraw/zinc/70/40/33/589704033.db2.gz LQJXTGTZYVYOPY-WRWGMCAJSA-N 2 0 239.363 0.631 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974606 589704313 /nfs/dbraw/zinc/70/43/13/589704313.db2.gz NJFDIXAGMJOHSW-YFKTTZPYSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870980851 589704482 /nfs/dbraw/zinc/70/44/82/589704482.db2.gz CZYYWVFPBZAHOE-MXWKQRLJSA-N 2 0 225.336 0.276 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870981595 589704779 /nfs/dbraw/zinc/70/47/79/589704779.db2.gz JOMIBEZKXVQGRG-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870980850 589704842 /nfs/dbraw/zinc/70/48/42/589704842.db2.gz CZYYWVFPBZAHOE-HBNTYKKESA-N 2 0 225.336 0.276 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)CCCC[NH3+])CC[C@H]21 ZINC000870981583 589704933 /nfs/dbraw/zinc/70/49/33/589704933.db2.gz JMNYILXVKBHVBP-NWDGAFQWSA-N 2 0 239.363 0.668 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870982663 589705049 /nfs/dbraw/zinc/70/50/49/589705049.db2.gz OITBNNSUGFSMAR-SDDRHHMPSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870983779 589705079 /nfs/dbraw/zinc/70/50/79/589705079.db2.gz YFASWWKFKCNEDL-GMTAPVOTSA-N 2 0 225.336 0.134 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870983279 589705203 /nfs/dbraw/zinc/70/52/03/589705203.db2.gz URCQBMKJBQECQS-TUAOUCFPSA-N 2 0 239.363 0.395 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870983126 589705207 /nfs/dbraw/zinc/70/52/07/589705207.db2.gz SWDDEGQPUDOTFE-NWDGAFQWSA-N 2 0 239.363 0.537 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH3+])CC[C@@H]21 ZINC000870983627 589705292 /nfs/dbraw/zinc/70/52/92/589705292.db2.gz WYNDQZZZEHZDEV-ZJUUUORDSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870984403 589705566 /nfs/dbraw/zinc/70/55/66/589705566.db2.gz RJCBQBRIMTWFSK-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870983781 589705496 /nfs/dbraw/zinc/70/54/96/589705496.db2.gz YFASWWKFKCNEDL-MXWKQRLJSA-N 2 0 225.336 0.134 20 0 BCADRP C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000870984002 589705635 /nfs/dbraw/zinc/70/56/35/589705635.db2.gz FXUBGIJWQHVQGW-GHMZBOCLSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H](NC(=O)C[NH2+]CC1CC1)C1CC[NH2+]CC1 ZINC000870984500 589705823 /nfs/dbraw/zinc/70/58/23/589705823.db2.gz WMPPLNNEBUDPQI-SNVBAGLBSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H](NC(=O)CCC[NH3+])C1CC[NH2+]CC1 ZINC000870986101 589706209 /nfs/dbraw/zinc/70/62/09/589706209.db2.gz FGFKNWIDENBGKR-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@@H](C(=O)N[C@@H](C)C1CC[NH2+]CC1)[NH+](C)C ZINC000870986061 589706267 /nfs/dbraw/zinc/70/62/67/589706267.db2.gz DEOMRNFEXFBXRT-JQWIXIFHSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870988349 589706939 /nfs/dbraw/zinc/70/69/39/589706939.db2.gz NHQBHJLVNICZML-JQWIXIFHSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CC[NH2+]CC1 ZINC000870987840 589707004 /nfs/dbraw/zinc/70/70/04/589707004.db2.gz UPXJQQSYBFINQL-WCQGTBRESA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H](NC(=O)C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000870987749 589707286 /nfs/dbraw/zinc/70/72/86/589707286.db2.gz CMBCBCUAKBQYHT-JTQLQIEISA-N 2 0 239.363 0.490 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870987963 589707315 /nfs/dbraw/zinc/70/73/15/589707315.db2.gz XFASIXLBQZLRQG-JTQLQIEISA-N 2 0 227.352 0.490 20 0 BCADRP COCCN(C)C(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000871603660 589774182 /nfs/dbraw/zinc/77/41/82/589774182.db2.gz ZUGPYJPCGOBZEW-UHFFFAOYSA-N 2 0 230.356 0.429 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])N(C)CCOC)C1 ZINC000871604147 589774434 /nfs/dbraw/zinc/77/44/34/589774434.db2.gz VWFKVNDUWDVPCY-LLVKDONJSA-N 2 0 242.367 0.431 20 0 BCADRP COCCN(C)C(=[NH2+])NC[C@H](C)C[NH+](C)C ZINC000871607064 589775528 /nfs/dbraw/zinc/77/55/28/589775528.db2.gz WHDVCXLWHVWJLO-JTQLQIEISA-N 2 0 230.356 0.287 20 0 BCADRP COCCN(C)C(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000871607466 589775553 /nfs/dbraw/zinc/77/55/53/589775553.db2.gz GEPFCHWVUDIPRF-PHIMTYICSA-N 2 0 242.367 0.429 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000123748337 589792536 /nfs/dbraw/zinc/79/25/36/589792536.db2.gz BDBSWYVFPIZQOV-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)OC[C@H](O)C[NH2+]CCCn1ccnc1 ZINC000871964875 589847507 /nfs/dbraw/zinc/84/75/07/589847507.db2.gz FIKLYVSISMOZLX-GFCCVEGCSA-N 2 0 241.335 0.649 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CC2(CCC2)CO1 ZINC000872145725 589884500 /nfs/dbraw/zinc/88/45/00/589884500.db2.gz WJBIQNQVVXDKQS-LBPRGKRZSA-N 2 0 242.363 0.853 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872257384 589901044 /nfs/dbraw/zinc/90/10/44/589901044.db2.gz GSHFMBMPLQBCOD-DNIRFERGSA-N 2 0 239.363 0.603 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872256646 589901215 /nfs/dbraw/zinc/90/12/15/589901215.db2.gz YHJSRKVHNSBMFG-TUAOUCFPSA-N 2 0 239.363 0.701 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872256053 589901287 /nfs/dbraw/zinc/90/12/87/589901287.db2.gz LLNQMEDSSZSCQG-MXWKQRLJSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872288743 589902043 /nfs/dbraw/zinc/90/20/43/589902043.db2.gz GXVWJJBLGRXXEK-MXWKQRLJSA-N 2 0 227.352 0.605 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])C1CC1 ZINC000872287626 589906193 /nfs/dbraw/zinc/90/61/93/589906193.db2.gz BXFCHLGKYUNXQW-GRYCIOLGSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872288742 589906281 /nfs/dbraw/zinc/90/62/81/589906281.db2.gz GXVWJJBLGRXXEK-AXFHLTTASA-N 2 0 227.352 0.605 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[NH2+]CCC1(C)C ZINC000872290467 589906469 /nfs/dbraw/zinc/90/64/69/589906469.db2.gz RSXADKQQZOWQQD-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C1 ZINC000872290088 589906526 /nfs/dbraw/zinc/90/65/26/589906526.db2.gz WIYIFZPHQZQWKQ-UZWIWUQPSA-N 2 0 249.358 0.467 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCC1C[NH2+]C1 ZINC000872289923 589906619 /nfs/dbraw/zinc/90/66/19/589906619.db2.gz UOQVWCIZQBYHCD-WDEREUQCSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000872288401 589906661 /nfs/dbraw/zinc/90/66/61/589906661.db2.gz YJCMRCTVOSRDKS-WDEREUQCSA-N 2 0 239.363 0.892 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000872290087 589906674 /nfs/dbraw/zinc/90/66/74/589906674.db2.gz WIYIFZPHQZQWKQ-HEQLZXTPSA-N 2 0 249.358 0.467 20 0 BCADRP CC1(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[NH2+]CC1 ZINC000872288342 589906872 /nfs/dbraw/zinc/90/68/72/589906872.db2.gz KPUAWYWENJRIOA-NRUUGDAUSA-N 2 0 237.347 0.372 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH2+]CCC1(C)C ZINC000872298679 589907677 /nfs/dbraw/zinc/90/76/77/589907677.db2.gz PQMKTZAAMQPNCO-JTQLQIEISA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872300965 589907867 /nfs/dbraw/zinc/90/78/67/589907867.db2.gz OPKHHFUEDNZTOO-MDZLAQPJSA-N 2 0 239.363 0.749 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872299283 589907935 /nfs/dbraw/zinc/90/79/35/589907935.db2.gz DNQVRDPTFIAJOV-PTRXPTGYSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872300791 589908369 /nfs/dbraw/zinc/90/83/69/589908369.db2.gz MKCYTRMYCIQVRG-OMHSBUABSA-N 2 0 225.336 0.356 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000872308488 589908659 /nfs/dbraw/zinc/90/86/59/589908659.db2.gz BSDDNEHBGGFWDH-VLLVSFFDSA-N 2 0 235.331 0.077 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000872307434 589908703 /nfs/dbraw/zinc/90/87/03/589908703.db2.gz VHYOOBAGJBDIIP-SBFPOUOMSA-N 2 0 249.358 0.515 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000872313211 589909214 /nfs/dbraw/zinc/90/92/14/589909214.db2.gz GNXWZTUVQIPWHC-LZFBMIIGSA-N 2 0 249.358 0.515 20 0 BCADRP CCN(C)C[C@@H](O)C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872316533 589910653 /nfs/dbraw/zinc/91/06/53/589910653.db2.gz OGOCTOKUJKGNPB-XQQFMLRXSA-N 2 0 242.363 0.600 20 0 BCADRP C([N@@H+]1CCC2(C1)CC[NH2+]CC2)C12CC(C1)C[NH2+]2 ZINC000873210614 589995502 /nfs/dbraw/zinc/99/55/02/589995502.db2.gz LZSKWHYYIMYNQY-UHFFFAOYSA-N 3 0 235.375 0.814 20 0 BCADRP C([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)C1CC[NH2+]CC1 ZINC000873217425 589998160 /nfs/dbraw/zinc/99/81/60/589998160.db2.gz MEUTZKVZRGPMLG-QSLWVIQJSA-N 2 0 236.359 0.999 20 0 BCADRP C[C@@H]([NH2+]CC1(C[NH3+])CC1)C1CC[NH2+]CC1 ZINC000873220765 589998972 /nfs/dbraw/zinc/99/89/72/589998972.db2.gz SKVSNFHSECFUKH-SNVBAGLBSA-N 3 0 211.353 0.703 20 0 BCADRP CC(C)([NH3+])CN1C[C@@H](O)CC(C)(C)C1 ZINC000873221452 589999521 /nfs/dbraw/zinc/99/95/21/589999521.db2.gz KNSZTZLDEWMHAH-VIFPVBQESA-N 2 0 200.326 0.817 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(CC34CC(C3)C[NH2+]4)CC[C@@H]21 ZINC000873221847 589999787 /nfs/dbraw/zinc/99/97/87/589999787.db2.gz RNEAODFPDDCLAS-QPPOZKHWSA-N 2 0 235.375 0.764 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC1=CCCOC1)C2 ZINC000873229251 590000915 /nfs/dbraw/zinc/00/09/15/590000915.db2.gz QHRRTXIEXSPOLE-QWHCGFSZSA-N 2 0 222.332 0.874 20 0 BCADRP CC(C)([NH3+])CN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873228260 590001176 /nfs/dbraw/zinc/00/11/76/590001176.db2.gz RAPUSTQJVGSWCR-JGVFFNPUSA-N 2 0 239.285 0.793 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCNC(=O)C2)CC[NH2+]1 ZINC000873232236 590003178 /nfs/dbraw/zinc/00/31/78/590003178.db2.gz NPOMWAWMNPHZDG-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)(O)C[N@@H+]1CC[C@H](N[C@H]2CCC[C@H]2[NH3+])C1 ZINC000873236286 590004339 /nfs/dbraw/zinc/00/43/39/590004339.db2.gz VIYMKUXBLJPBKG-TUAOUCFPSA-N 2 0 241.379 0.301 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cnn(C)c1 ZINC000873257785 590006871 /nfs/dbraw/zinc/00/68/71/590006871.db2.gz KLNSCLLRNDXAHN-FXPVBKGRSA-N 2 0 208.309 0.808 20 0 BCADRP C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249912 590007223 /nfs/dbraw/zinc/00/72/23/590007223.db2.gz NJBFRJMLWBJZJZ-WISYIIOYSA-N 2 0 227.352 0.080 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cnccc1N ZINC000873249309 590007473 /nfs/dbraw/zinc/00/74/73/590007473.db2.gz KPMLLUSJYPFYHP-BBBLOLIVSA-N 2 0 220.320 0.882 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000873248664 590007511 /nfs/dbraw/zinc/00/75/11/590007511.db2.gz DDFYVJLFUDYKAL-GWNIPJSYSA-N 2 0 239.363 0.080 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000873250326 590007575 /nfs/dbraw/zinc/00/75/75/590007575.db2.gz OYBZJBKTPKJQEN-USZNOCQGSA-N 3 0 211.353 0.973 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C(C)(C)n1cncn1 ZINC000873248675 590007649 /nfs/dbraw/zinc/00/76/49/590007649.db2.gz DKLLCCKBGAKVOM-MXWKQRLJSA-N 2 0 237.351 0.729 20 0 BCADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254434 590010014 /nfs/dbraw/zinc/01/00/14/590010014.db2.gz TVWPPJKUYZSHDC-MEWQQHAOSA-N 2 0 223.364 0.796 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)C(C)(C)n1cncn1 ZINC000873255199 590010253 /nfs/dbraw/zinc/01/02/53/590010253.db2.gz DKLLCCKBGAKVOM-DCAQKATOSA-N 2 0 237.351 0.729 20 0 BCADRP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256698 590011382 /nfs/dbraw/zinc/01/13/82/590011382.db2.gz OYRLQMWSJFQURL-OPRDCNLKSA-N 2 0 234.365 0.137 20 0 BCADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257506 590012264 /nfs/dbraw/zinc/01/22/64/590012264.db2.gz TVWPPJKUYZSHDC-PRULPYPASA-N 2 0 223.364 0.796 20 0 BCADRP C[C@@H](CCCCO)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873258743 590012871 /nfs/dbraw/zinc/01/28/71/590012871.db2.gz VUKJLHKUXFNJTQ-DCAQKATOSA-N 2 0 200.326 0.864 20 0 BCADRP C[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000873271979 590016319 /nfs/dbraw/zinc/01/63/19/590016319.db2.gz OBCOLGDCNRJSFB-GVXVVHGQSA-N 2 0 225.380 0.914 20 0 BCADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)C1C[NH2+]C1 ZINC000873270914 590016355 /nfs/dbraw/zinc/01/63/55/590016355.db2.gz CEWNCIHQMXRUKR-VHSXEESVSA-N 3 0 211.353 0.572 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000873282669 590019679 /nfs/dbraw/zinc/01/96/79/590019679.db2.gz KSYTYYOTCYBOOF-VHSXEESVSA-N 2 0 215.341 0.570 20 0 BCADRP Cc1nonc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000873295416 590023930 /nfs/dbraw/zinc/02/39/30/590023930.db2.gz IAORAJFOYMLDER-HBNTYKKESA-N 2 0 236.319 0.856 20 0 BCADRP O=C(C[NH+]1CCCC1)NCC[NH+]1CCCCC1 ZINC000874040391 590085943 /nfs/dbraw/zinc/08/59/43/590085943.db2.gz LBUZNNFSILTEKD-UHFFFAOYSA-N 2 0 239.363 0.684 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC000874102301 590091775 /nfs/dbraw/zinc/09/17/75/590091775.db2.gz RCPKFOWIKIABHZ-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)[C@H](C[NH+](C)C)NC(=O)C[NH+]1CCCC1 ZINC000874468490 590113456 /nfs/dbraw/zinc/11/34/56/590113456.db2.gz IZZCKGJYTQGMEX-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP [NH3+]C1CCN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)CC1 ZINC000876502248 590203719 /nfs/dbraw/zinc/20/37/19/590203719.db2.gz WXZYJMLBOVGZON-PGLGOXFNSA-N 2 0 237.347 0.492 20 0 BCADRP C[NH2+]CCCNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876507329 590204343 /nfs/dbraw/zinc/20/43/43/590204343.db2.gz BALNTGGAAGMJIO-ISALQUGTSA-N 2 0 225.336 0.268 20 0 BCADRP [NH3+]CCCNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876505419 590204564 /nfs/dbraw/zinc/20/45/64/590204564.db2.gz UQQVSNGQSCWFFR-LWTINBJPSA-N 2 0 211.309 0.007 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000876508528 590204904 /nfs/dbraw/zinc/20/49/04/590204904.db2.gz OZLLPWQVYMHCJH-WDEREUQCSA-N 2 0 239.363 0.557 20 0 BCADRP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C)C1CC[NH2+]CC1 ZINC000876510649 590205480 /nfs/dbraw/zinc/20/54/80/590205480.db2.gz XFEZKVAOMDJFRX-GHMZBOCLSA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000876514190 590206036 /nfs/dbraw/zinc/20/60/36/590206036.db2.gz UQKRYJSRIMLFDJ-KOLCDFICSA-N 2 0 223.320 0.231 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH3+])C2)C1(F)F ZINC000876513739 590206154 /nfs/dbraw/zinc/20/61/54/590206154.db2.gz HYAVXPNWGOGKRO-IWSPIJDZSA-N 2 0 247.289 0.024 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000876514649 590206376 /nfs/dbraw/zinc/20/63/76/590206376.db2.gz GOPBLPKOYUMEHL-OUAUKWLOSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876515910 590206403 /nfs/dbraw/zinc/20/64/03/590206403.db2.gz ZYWWGKBZEARKKO-GKUNOOHESA-N 2 0 237.347 0.363 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000876517286 590206958 /nfs/dbraw/zinc/20/69/58/590206958.db2.gz MLBNZFOABGEQJJ-JPPWEJMLSA-N 2 0 239.363 0.746 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000876518284 590207031 /nfs/dbraw/zinc/20/70/31/590207031.db2.gz OZRMEXCPCPARRQ-IVZWLZJFSA-N 2 0 225.336 0.167 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000876522572 590207843 /nfs/dbraw/zinc/20/78/43/590207843.db2.gz VYJVSZLSIYWDLD-VFTMLMQFSA-N 2 0 237.347 0.266 20 0 BCADRP CC(C)(C[NH3+])NC(=O)CC[NH2+]CC1CC1 ZINC000876524369 590208167 /nfs/dbraw/zinc/20/81/67/590208167.db2.gz PCJUJHDCOVOPRW-UHFFFAOYSA-N 2 0 213.325 0.230 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000876530769 590209622 /nfs/dbraw/zinc/20/96/22/590209622.db2.gz UPMZIEFXIXXUHA-CKOMJFDNSA-N 2 0 237.347 0.218 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000876530772 590209678 /nfs/dbraw/zinc/20/96/78/590209678.db2.gz UPMZIEFXIXXUHA-QECUIDCMSA-N 2 0 237.347 0.218 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000876530771 590209813 /nfs/dbraw/zinc/20/98/13/590209813.db2.gz UPMZIEFXIXXUHA-OYGSNPQQSA-N 2 0 237.347 0.218 20 0 BCADRP [NH3+]CC1(NC(=O)CC[NH2+]CC2CC2)CCCC1 ZINC000876530636 590209897 /nfs/dbraw/zinc/20/98/97/590209897.db2.gz OUDDCQBUWZASIR-UHFFFAOYSA-N 2 0 239.363 0.764 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)CC[NH2+]CC1CC1)C1CC1 ZINC000876530985 590210510 /nfs/dbraw/zinc/21/05/10/590210510.db2.gz WYRHJTKJTLLZTN-ZDUSSCGKSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC[C@H]1[NH3+] ZINC000876533938 590210611 /nfs/dbraw/zinc/21/06/11/590210611.db2.gz XCYCJYNSVULPPQ-YTWAJWBKSA-N 2 0 239.363 0.556 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC[C@H]1[NH3+] ZINC000876533582 590210735 /nfs/dbraw/zinc/21/07/35/590210735.db2.gz UAOJOOKHGBGYAX-MAUMQABQSA-N 2 0 247.289 0.022 20 0 BCADRP [NH3+]C[C@H](NC(=O)/C=C/[C@H]1CCC[NH2+]C1)C1CC1 ZINC000876536383 590211370 /nfs/dbraw/zinc/21/13/70/590211370.db2.gz BHCSJEVYXXQQQV-XAIJNJMXSA-N 2 0 237.347 0.396 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876537420 590211580 /nfs/dbraw/zinc/21/15/80/590211580.db2.gz QPLRROTZRJLIAZ-PWSUYJOCSA-N 2 0 225.336 0.326 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000876539951 590212219 /nfs/dbraw/zinc/21/22/19/590212219.db2.gz CEZFNKPRGPFLFR-KPPDAEKUSA-N 2 0 227.352 0.713 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876542021 590212564 /nfs/dbraw/zinc/21/25/64/590212564.db2.gz JNTOXLBQSJCQRZ-MXWKQRLJSA-N 2 0 245.342 0.568 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCC[NH+](C)C ZINC000876707705 590232578 /nfs/dbraw/zinc/23/25/78/590232578.db2.gz PDRAKWLVAPUXHI-WBIIUDBISA-N 2 0 239.363 0.466 20 0 BCADRP C[C@H](CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000876736540 590234104 /nfs/dbraw/zinc/23/41/04/590234104.db2.gz VMJFAHGMXRFJNS-OPRDCNLKSA-N 2 0 231.315 0.000 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C)C1CC1 ZINC000876735304 590234240 /nfs/dbraw/zinc/23/42/40/590234240.db2.gz CZYYDBOKYANIHU-GHMZBOCLSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](CNC(=O)/C=C\[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000876735525 590234255 /nfs/dbraw/zinc/23/42/55/590234255.db2.gz PCKXTTNMXPVDRL-UXFRKABBSA-N 2 0 239.363 0.609 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876750520 590238031 /nfs/dbraw/zinc/23/80/31/590238031.db2.gz WFQUVVRKDIKVHO-GHMZBOCLSA-N 2 0 241.379 0.816 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)[NH3+])[C@H](C)C1 ZINC000876772493 590239435 /nfs/dbraw/zinc/23/94/35/590239435.db2.gz OFXGRIOYBZKCSS-IJLUTSLNSA-N 2 0 241.379 0.912 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000876785552 590240117 /nfs/dbraw/zinc/24/01/17/590240117.db2.gz AYQAIVHTYCCCHB-PXLFNHBNSA-N 2 0 225.336 0.109 20 0 BCADRP C[NH2+]CCN(C)C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876791311 590241474 /nfs/dbraw/zinc/24/14/74/590241474.db2.gz CAFPCZMWMIYDJC-ISALQUGTSA-N 2 0 225.336 0.220 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876791870 590242045 /nfs/dbraw/zinc/24/20/45/590242045.db2.gz JFQLBMBWABAUQW-RKDXNWHRSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)[C@H](C)C[NH2+]1 ZINC000876796798 590242743 /nfs/dbraw/zinc/24/27/43/590242743.db2.gz JDLLUUBAMZISJY-ZNSHCXBVSA-N 2 0 239.363 0.569 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH3+])CC[N@@H+]1C ZINC000876830185 590245927 /nfs/dbraw/zinc/24/59/27/590245927.db2.gz CLWMMSPAMHRKFM-LPEHRKFASA-N 2 0 213.325 0.180 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000876829396 590246748 /nfs/dbraw/zinc/24/67/48/590246748.db2.gz SLOFRNAHEDBNMX-VLEAKVRGSA-N 2 0 243.326 0.320 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CC[NH2+]1 ZINC000876829593 590246753 /nfs/dbraw/zinc/24/67/53/590246753.db2.gz WQUNKNQVWHAZJH-AEJSXWLSSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC[NH2+]1 ZINC000876829594 590246946 /nfs/dbraw/zinc/24/69/46/590246946.db2.gz WQUNKNQVWHAZJH-GUBZILKMSA-N 2 0 225.336 0.180 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)C1 ZINC000876829395 590246976 /nfs/dbraw/zinc/24/69/76/590246976.db2.gz SLOFRNAHEDBNMX-CHWFTXMASA-N 2 0 243.326 0.320 20 0 BCADRP CC1(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC[NH2+]CC1 ZINC000876831936 590247504 /nfs/dbraw/zinc/24/75/04/590247504.db2.gz CYUOFGMVNXWFGK-YUMQZZPRSA-N 2 0 247.289 0.085 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876831643 590247748 /nfs/dbraw/zinc/24/77/48/590247748.db2.gz JKLPMSPUXNWKAY-XWLWVQCSSA-N 2 0 239.363 0.617 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)CC[NH2+]CC2CC2)[C@H]1C ZINC000876831260 590247803 /nfs/dbraw/zinc/24/78/03/590247803.db2.gz FCQFOPAIGDPKQR-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876831577 590247807 /nfs/dbraw/zinc/24/78/07/590247807.db2.gz HKAAWFWNKRBHID-ZRUFSTJUSA-N 2 0 243.326 0.143 20 0 BCADRP C[C@H]([NH3+])CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876836325 590247823 /nfs/dbraw/zinc/24/78/23/590247823.db2.gz UNNUDCBNODNONC-AWAZDUCLSA-N 2 0 211.309 0.006 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876836042 590247825 /nfs/dbraw/zinc/24/78/25/590247825.db2.gz KQYZGFCYKWFJFQ-OPRDCNLKSA-N 2 0 231.315 0.048 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876833735 590247858 /nfs/dbraw/zinc/24/78/58/590247858.db2.gz KHPHYHWVZKWTLH-XWLWVQCSSA-N 2 0 243.326 0.191 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876836672 590248398 /nfs/dbraw/zinc/24/83/98/590248398.db2.gz GGFZHZAKXVRWJL-WZRBSPASSA-N 2 0 239.363 0.633 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000876840613 590248415 /nfs/dbraw/zinc/24/84/15/590248415.db2.gz VNCNVRIRBNNMQS-GBIKHYSHSA-N 2 0 239.363 0.557 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876838637 590248548 /nfs/dbraw/zinc/24/85/48/590248548.db2.gz SQOGEDUMFWZDGO-LMLFDSFASA-N 2 0 237.347 0.038 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000876840615 590248563 /nfs/dbraw/zinc/24/85/63/590248563.db2.gz VNCNVRIRBNNMQS-GIPNMCIBSA-N 2 0 239.363 0.557 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000876840617 590248585 /nfs/dbraw/zinc/24/85/85/590248585.db2.gz VNCNVRIRBNNMQS-OPQQBVKSSA-N 2 0 239.363 0.557 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000876861240 590250557 /nfs/dbraw/zinc/25/05/57/590250557.db2.gz UNZRDUJGKSICAL-ZHUQGDDZSA-N 2 0 225.336 0.250 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876859121 590250582 /nfs/dbraw/zinc/25/05/82/590250582.db2.gz CLKMZZWVAOBLML-NXEZZACHSA-N 2 0 245.342 0.568 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000876863242 590251147 /nfs/dbraw/zinc/25/11/47/590251147.db2.gz BNCMJOLZLSRWCH-BWZBUEFSSA-N 2 0 249.305 0.459 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876864990 590251194 /nfs/dbraw/zinc/25/11/94/590251194.db2.gz XMYBZARYZTVOBE-PZIAFJOJSA-N 2 0 225.336 0.396 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000876865175 590251436 /nfs/dbraw/zinc/25/14/36/590251436.db2.gz VAJCRGLXCFBIES-HTQZYQBOSA-N 2 0 235.278 0.098 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1(F)F ZINC000876869356 590251559 /nfs/dbraw/zinc/25/15/59/590251559.db2.gz DUZRGFMGFCKVFA-BZNPZCIMSA-N 2 0 247.289 0.070 20 0 BCADRP C[C@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)[NH+](C)C ZINC000876865775 590251647 /nfs/dbraw/zinc/25/16/47/590251647.db2.gz GZNAGUJEHHCYSO-SFYZADRCSA-N 2 0 235.278 0.050 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000876873112 590251746 /nfs/dbraw/zinc/25/17/46/590251746.db2.gz WCLUZVCPYNWQHA-NXEZZACHSA-N 2 0 239.363 0.570 20 0 BCADRP CC1(C)CN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000876871273 590251779 /nfs/dbraw/zinc/25/17/79/590251779.db2.gz IOVVHCRNQAHJNY-ZJUUUORDSA-N 2 0 243.326 0.144 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000876871934 590251846 /nfs/dbraw/zinc/25/18/46/590251846.db2.gz OGALAOGCWQHVCE-BBBLOLIVSA-N 2 0 239.363 0.617 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876872450 590252037 /nfs/dbraw/zinc/25/20/37/590252037.db2.gz ZYYLSGYOAUFYBO-DCAQKATOSA-N 2 0 239.363 0.761 20 0 BCADRP CC1(C)CN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000876871271 590252049 /nfs/dbraw/zinc/25/20/49/590252049.db2.gz IOVVHCRNQAHJNY-UWVGGRQHSA-N 2 0 243.326 0.144 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CC[NH2+]CC1CC1 ZINC000876914669 590256486 /nfs/dbraw/zinc/25/64/86/590256486.db2.gz UZMZLXXRAKVPAI-LLVKDONJSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H]1CN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000876915537 590256650 /nfs/dbraw/zinc/25/66/50/590256650.db2.gz UQOWXNCYSFHWCB-HCSCIRHASA-N 2 0 237.347 0.348 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876916083 590256938 /nfs/dbraw/zinc/25/69/38/590256938.db2.gz KLPRIABDUYGNQQ-LNDCSFGSSA-N 2 0 237.347 0.490 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876926680 590257834 /nfs/dbraw/zinc/25/78/34/590257834.db2.gz CMSDKYHLBGXSKR-MVIFTORASA-N 2 0 239.363 0.786 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876926820 590257973 /nfs/dbraw/zinc/25/79/73/590257973.db2.gz HDRBACPYQDVUNR-DTWKUNHWSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876934992 590258538 /nfs/dbraw/zinc/25/85/38/590258538.db2.gz PLNFXHPICAAMCE-QEYWKRMJSA-N 2 0 231.315 0.176 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876934243 590258626 /nfs/dbraw/zinc/25/86/26/590258626.db2.gz FLEHLSRRNWVSHB-NTGGVTEJSA-N 2 0 239.363 0.784 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876936383 590258828 /nfs/dbraw/zinc/25/88/28/590258828.db2.gz YNHAJYCJPBUISV-LMLFDSFASA-N 2 0 227.352 0.746 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000876938399 590259042 /nfs/dbraw/zinc/25/90/42/590259042.db2.gz CTXYBHUDXFQOCL-XYPYZODXSA-N 2 0 239.363 0.762 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NCCCCCC[NH3+])C1 ZINC000876937938 590259081 /nfs/dbraw/zinc/25/90/81/590259081.db2.gz JNJZMXOKNUDNAA-GFCCVEGCSA-N 2 0 241.379 0.964 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876957794 590260730 /nfs/dbraw/zinc/26/07/30/590260730.db2.gz GYOCNMAGORKMAL-IUCAKERBSA-N 2 0 231.315 0.130 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC000876958282 590260829 /nfs/dbraw/zinc/26/08/29/590260829.db2.gz XTSJWZUTQDMBSB-ADRPCIBZSA-N 2 0 239.363 0.594 20 0 BCADRP C[C@H](CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000876960306 590261558 /nfs/dbraw/zinc/26/15/58/590261558.db2.gz CGXASJUFGFOYHY-MXWKQRLJSA-N 2 0 245.342 0.390 20 0 BCADRP C[C@H](CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000876960308 590261627 /nfs/dbraw/zinc/26/16/27/590261627.db2.gz CGXASJUFGFOYHY-VWYCJHECSA-N 2 0 245.342 0.390 20 0 BCADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)N[C@H]1CC[NH2+]C1 ZINC000876963722 590261997 /nfs/dbraw/zinc/26/19/97/590261997.db2.gz UJNVQDZWNXSLRR-YHROSDCASA-N 2 0 223.320 0.020 20 0 BCADRP CC1(C)[C@H](C(=O)N2CC3CC2(C[NH3+])C3)C[C@@H]1[NH3+] ZINC000876969771 590262290 /nfs/dbraw/zinc/26/22/90/590262290.db2.gz ZHYDBAVWYHGAAK-XWDDTNKTSA-N 2 0 237.347 0.310 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876977807 590264070 /nfs/dbraw/zinc/26/40/70/590264070.db2.gz FYURYQUOJCGJRD-OBOPVNRVSA-N 2 0 225.336 0.266 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876979030 590264311 /nfs/dbraw/zinc/26/43/11/590264311.db2.gz YSVXKGGLODXNQB-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@]1(NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC[NH2+]C1 ZINC000876980828 590264592 /nfs/dbraw/zinc/26/45/92/590264592.db2.gz NONJUVHUXWVFAU-RTXFEEFZSA-N 2 0 237.347 0.387 20 0 BCADRP CCN(CC[NH3+])C(=O)C=C1CC[NH2+]CC1 ZINC000877006842 590268378 /nfs/dbraw/zinc/26/83/78/590268378.db2.gz SPUUZIIDAMJDAQ-UHFFFAOYSA-N 2 0 211.309 0.103 20 0 BCADRP CCN(CC[NH3+])C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000877005768 590268436 /nfs/dbraw/zinc/26/84/36/590268436.db2.gz MFQVJEIAVPBGDX-ISALQUGTSA-N 2 0 225.336 0.349 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000877005835 590268471 /nfs/dbraw/zinc/26/84/71/590268471.db2.gz MPTZJDOIBKQGTP-DTWKUNHWSA-N 2 0 213.325 0.167 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(CC)CC[NH3+] ZINC000877005990 590268524 /nfs/dbraw/zinc/26/85/24/590268524.db2.gz OQUYJRIWLKXNMB-UQRCUPDISA-N 2 0 225.336 0.205 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000877023076 590270305 /nfs/dbraw/zinc/27/03/05/590270305.db2.gz CNHHIQUSAUJDGP-NWDGAFQWSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)CCCCC[NH3+])C[NH2+]1 ZINC000877050964 590274677 /nfs/dbraw/zinc/27/46/77/590274677.db2.gz JZEYKEPAZXMDMR-QWRGUYRKSA-N 2 0 227.352 0.762 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)C[C@@H]([NH3+])C2CC2)C[NH2+]1 ZINC000877052926 590275115 /nfs/dbraw/zinc/27/51/15/590275115.db2.gz YQAUVBNCHLCPKD-DVVUODLYSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)C[C@@H]([NH3+])C2CC2)C[NH2+]1 ZINC000877052927 590275182 /nfs/dbraw/zinc/27/51/82/590275182.db2.gz YQAUVBNCHLCPKD-FBIMIBRVSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000877095100 590281782 /nfs/dbraw/zinc/28/17/82/590281782.db2.gz ITPVXTXGDTWUGP-QWRGUYRKSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000877095808 590281881 /nfs/dbraw/zinc/28/18/81/590281881.db2.gz RWUSFIGZQMMEKH-ZYHUDNBSSA-N 2 0 235.331 0.535 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)C1([NH3+])CCCCC1 ZINC000877095986 590282197 /nfs/dbraw/zinc/28/21/97/590282197.db2.gz WUNYKQHRSCAIAN-VIFPVBQESA-N 2 0 213.325 0.454 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000877102344 590283224 /nfs/dbraw/zinc/28/32/24/590283224.db2.gz FUDNDFAKZHQRGD-UWVGGRQHSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000877102468 590283634 /nfs/dbraw/zinc/28/36/34/590283634.db2.gz ISZPPXCGKJLMHR-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000877102480 590283706 /nfs/dbraw/zinc/28/37/06/590283706.db2.gz IUIVZPWKTHVSBK-VIFPVBQESA-N 2 0 233.315 0.709 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000877102771 590283801 /nfs/dbraw/zinc/28/38/01/590283801.db2.gz DLLBBNXLBWSTFD-NXEZZACHSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000877103677 590284370 /nfs/dbraw/zinc/28/43/70/590284370.db2.gz XTWINKRVSQIPHY-JBLDHEPKSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000877105610 590284954 /nfs/dbraw/zinc/28/49/54/590284954.db2.gz QFUIAANFUQNSTC-INTQDDNPSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000877105352 590285029 /nfs/dbraw/zinc/28/50/29/590285029.db2.gz OJPXFDFXZRFBKG-MFKMUULPSA-N 2 0 247.342 0.679 20 0 BCADRP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH3+])[C@H](C)[NH3+] ZINC000877106279 590285257 /nfs/dbraw/zinc/28/52/57/590285257.db2.gz WOBXZRNXADXMGE-LPEHRKFASA-N 2 0 215.341 0.411 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000877108781 590286374 /nfs/dbraw/zinc/28/63/74/590286374.db2.gz WUFRTWNPQAORQJ-OBOPVNRVSA-N 2 0 225.336 0.348 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000877109528 590286784 /nfs/dbraw/zinc/28/67/84/590286784.db2.gz NYDGBVMOSNADDJ-JOYOIKCWSA-N 2 0 233.315 0.626 20 0 BCADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)N[C@@H]1CC[NH2+]C1 ZINC000877117762 590288293 /nfs/dbraw/zinc/28/82/93/590288293.db2.gz UJNVQDZWNXSLRR-YIZUVKHSSA-N 2 0 223.320 0.020 20 0 BCADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)N[C@@H]1CC[NH2+]C1 ZINC000877117761 590288699 /nfs/dbraw/zinc/28/86/99/590288699.db2.gz UJNVQDZWNXSLRR-ANDSXOESSA-N 2 0 223.320 0.020 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000877128604 590289980 /nfs/dbraw/zinc/28/99/80/590289980.db2.gz IEYVYGXFXDQPOA-ZYHUDNBSSA-N 2 0 243.326 0.418 20 0 BCADRP CC[NH2+]CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000877128099 590290062 /nfs/dbraw/zinc/29/00/62/590290062.db2.gz DDFYXKGLPSHMKZ-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877150845 590291788 /nfs/dbraw/zinc/29/17/88/590291788.db2.gz DFXNKUTVWPOWBL-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877153635 590293321 /nfs/dbraw/zinc/29/33/21/590293321.db2.gz XAYZZUQKZVVACL-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877157976 590293791 /nfs/dbraw/zinc/29/37/91/590293791.db2.gz MUPCAQFCXISUEY-GHMZBOCLSA-N 2 0 241.379 0.736 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877158191 590293861 /nfs/dbraw/zinc/29/38/61/590293861.db2.gz PICQIBZYKKLZRB-MNOVXSKESA-N 2 0 241.379 0.864 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877158769 590294153 /nfs/dbraw/zinc/29/41/53/590294153.db2.gz XAYZZUQKZVVACL-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877170894 590295752 /nfs/dbraw/zinc/29/57/52/590295752.db2.gz XFZACSCNFHQOPO-PHIMTYICSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000877171366 590296181 /nfs/dbraw/zinc/29/61/81/590296181.db2.gz FJRNKXMPNCKRJX-ZNSHCXBVSA-N 2 0 225.336 0.452 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)CCC12CC(C1)C[NH2+]2 ZINC000877171621 590296410 /nfs/dbraw/zinc/29/64/10/590296410.db2.gz IWFNVOSBODGFMZ-MSLYCWSTSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000877172296 590296430 /nfs/dbraw/zinc/29/64/30/590296430.db2.gz QBFRYALILAKPAR-GQJJHNKNSA-N 2 0 237.347 0.490 20 0 BCADRP O=C(CC[NH2+]CC1CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877172780 590296451 /nfs/dbraw/zinc/29/64/51/590296451.db2.gz XDJSGOZSUKNCTG-TXEJJXNPSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)CC[NH2+]CC1CC1 ZINC000877171431 590296461 /nfs/dbraw/zinc/29/64/61/590296461.db2.gz GZPKKPHOULJARH-ONGXEEELSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)CCCCCC[NH3+] ZINC000877173279 590296773 /nfs/dbraw/zinc/29/67/73/590296773.db2.gz BXHFYGVLQZNIBB-QWRGUYRKSA-N 2 0 227.352 0.844 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000877191889 590298835 /nfs/dbraw/zinc/29/88/35/590298835.db2.gz BOHPEEIPNCFANG-QEWOUOOISA-N 2 0 241.310 0.170 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)CC1([NH3+])CCC1 ZINC000877191669 590298963 /nfs/dbraw/zinc/29/89/63/590298963.db2.gz APXDJEZCWOITFL-UHFFFAOYSA-N 2 0 237.347 0.740 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877192332 590298997 /nfs/dbraw/zinc/29/89/97/590298997.db2.gz LZFSJXFOZPVULJ-GRZMOONWSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH+](C)CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877188292 590299211 /nfs/dbraw/zinc/29/92/11/590299211.db2.gz YFSFRQBUNWTUAT-UHFFFAOYSA-N 2 0 211.309 0.030 20 0 BCADRP C[C@]1(C(=O)N2C3CCC2(C[NH3+])CC3)CC[NH2+]C1 ZINC000877193267 590299712 /nfs/dbraw/zinc/29/97/12/590299712.db2.gz YTESBRNTAJUAFO-YDGIUTOCSA-N 2 0 237.347 0.468 20 0 BCADRP CC(C)[NH+]1CCC(CCNC(=O)[C@H](C)[NH3+])CC1 ZINC000877199896 590300790 /nfs/dbraw/zinc/30/07/90/590300790.db2.gz AHRZXUJYOMPBRP-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC1(C[NH3+])CCCCC1 ZINC000877205478 590301080 /nfs/dbraw/zinc/30/10/80/590301080.db2.gz JODDWDYGARLYON-JTQLQIEISA-N 2 0 239.363 0.905 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877240724 590302410 /nfs/dbraw/zinc/30/24/10/590302410.db2.gz ANZWBCXPQBNEHW-PTXKGWGQSA-N 2 0 237.347 0.252 20 0 BCADRP C[C@]1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000877243773 590303359 /nfs/dbraw/zinc/30/33/59/590303359.db2.gz UGPVDRDMLXSHJX-UMNHJUIQSA-N 2 0 225.336 0.230 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877248934 590303549 /nfs/dbraw/zinc/30/35/49/590303549.db2.gz GJJSLFAKVADMHI-MNOVXSKESA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)C1CC[NH2+]CC1 ZINC000877251565 590303558 /nfs/dbraw/zinc/30/35/58/590303558.db2.gz BKJRPQMPBAEWNB-NXEZZACHSA-N 2 0 227.352 0.441 20 0 BCADRP [NH3+]C1(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000877246228 590303845 /nfs/dbraw/zinc/30/38/45/590303845.db2.gz RXYWQOBTARCDLE-JGPRNRPPSA-N 2 0 237.347 0.515 20 0 BCADRP C[C@@H](NC(=O)CCC1C[NH2+]C1)C1CC[NH2+]CC1 ZINC000877252473 590304111 /nfs/dbraw/zinc/30/41/11/590304111.db2.gz PSMOZNAOLHSYMN-SNVBAGLBSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H](NC(=O)c1c[nH+]ccc1N)C1CC[NH2+]CC1 ZINC000877255506 590304178 /nfs/dbraw/zinc/30/41/78/590304178.db2.gz VNQUFZBAYIZKKG-VIFPVBQESA-N 2 0 248.330 0.612 20 0 BCADRP C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC000877255008 590304192 /nfs/dbraw/zinc/30/41/92/590304192.db2.gz MIPGHIAZEJOFIE-CMPLNLGQSA-N 2 0 239.363 0.633 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000877259540 590304393 /nfs/dbraw/zinc/30/43/93/590304393.db2.gz GWXKIYWRULQLOM-CYBMUJFWSA-N 2 0 241.379 0.819 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)[NH+](C)C ZINC000877274875 590305479 /nfs/dbraw/zinc/30/54/79/590305479.db2.gz YJFPZGDBBBMISM-IJLUTSLNSA-N 2 0 239.363 0.680 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000877273294 590305582 /nfs/dbraw/zinc/30/55/82/590305582.db2.gz NTDQSNDMLZEVCW-GRYCIOLGSA-N 2 0 235.331 0.387 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)[NH+](C)C ZINC000877274877 590305697 /nfs/dbraw/zinc/30/56/97/590305697.db2.gz YJFPZGDBBBMISM-QJPTWQEYSA-N 2 0 239.363 0.680 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)[NH+](C)C ZINC000877274879 590306082 /nfs/dbraw/zinc/30/60/82/590306082.db2.gz YJFPZGDBBBMISM-UTUOFQBUSA-N 2 0 239.363 0.680 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877282440 590306574 /nfs/dbraw/zinc/30/65/74/590306574.db2.gz LWJUKACJYUTIJD-MNOVXSKESA-N 2 0 223.320 0.091 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877284333 590306770 /nfs/dbraw/zinc/30/67/70/590306770.db2.gz SUBVAJKAVRMUER-MMWGEVLESA-N 2 0 225.336 0.323 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877284751 590306818 /nfs/dbraw/zinc/30/68/18/590306818.db2.gz VZKKAZGWQUVWQI-RYUDHWBXSA-N 2 0 239.363 0.680 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877283407 590306836 /nfs/dbraw/zinc/30/68/36/590306836.db2.gz PFBNTBFCBQXQAY-OPRDCNLKSA-N 2 0 211.309 0.077 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877283406 590306992 /nfs/dbraw/zinc/30/69/92/590306992.db2.gz PFBNTBFCBQXQAY-KXUCPTDWSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877283707 590307028 /nfs/dbraw/zinc/30/70/28/590307028.db2.gz QEVKSEBKIIHRIM-GARJFASQSA-N 2 0 225.336 0.467 20 0 BCADRP O=C(N1CCC[C@@H]2[NH2+]CC[C@H]21)[C@@]1(F)CC[NH2+]C1 ZINC000877287114 590307133 /nfs/dbraw/zinc/30/71/33/590307133.db2.gz JEQJPNQXVSOPII-HOSYDEDBSA-N 2 0 241.310 0.041 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877287524 590307146 /nfs/dbraw/zinc/30/71/46/590307146.db2.gz LQKYJPXLVYNVJG-DCAQKATOSA-N 2 0 225.336 0.195 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877288093 590307153 /nfs/dbraw/zinc/30/71/53/590307153.db2.gz NKWYPALIOFELHZ-NXEZZACHSA-N 2 0 211.309 0.078 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877289044 590307425 /nfs/dbraw/zinc/30/74/25/590307425.db2.gz RROFXCLIQDVBFE-QWRGUYRKSA-N 2 0 239.363 0.857 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000877292900 590307559 /nfs/dbraw/zinc/30/75/59/590307559.db2.gz GFTQBFJXXRZMRI-CDECOKDKSA-N 2 0 239.363 0.890 20 0 BCADRP [NH3+][C@@H](CC(=O)N[C@@H]1CC[C@@H]([NH3+])CC1)C1CC1 ZINC000877293047 590307649 /nfs/dbraw/zinc/30/76/49/590307649.db2.gz YASAOGWQSCSQKW-DCAQKATOSA-N 2 0 225.336 0.500 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877290089 590307759 /nfs/dbraw/zinc/30/77/59/590307759.db2.gz YHLYRXBSZRWHNK-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877339153 590317862 /nfs/dbraw/zinc/31/78/62/590317862.db2.gz SZNAXIYKAXTSGP-MFKMUULPSA-N 2 0 247.342 0.554 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C[C@@H]1CC[NH2+]C1)C2 ZINC000877374148 590320255 /nfs/dbraw/zinc/32/02/55/590320255.db2.gz YTUGUWUBYOWBGR-GMXVVIOVSA-N 2 0 237.347 0.054 20 0 BCADRP C[C@H](C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2)[NH+](C)C ZINC000877384650 590320442 /nfs/dbraw/zinc/32/04/42/590320442.db2.gz KZSGPXPUOVZPIU-SCVCMEIPSA-N 2 0 225.336 0.337 20 0 BCADRP O=C(CCC1C[NH2+]C1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877384600 590320514 /nfs/dbraw/zinc/32/05/14/590320514.db2.gz KFOYPCRQMUUJOQ-AAEUAGOBSA-N 2 0 237.347 0.387 20 0 BCADRP O=C(CC[NH2+]C1CC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877386234 590320753 /nfs/dbraw/zinc/32/07/53/590320753.db2.gz HCYITEPAMHSKTH-YPMHNXCESA-N 2 0 237.347 0.529 20 0 BCADRP [NH3+]C1(CC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000877387423 590321690 /nfs/dbraw/zinc/32/16/90/590321690.db2.gz YQNLUYGCFNTNOO-JOYOIKCWSA-N 2 0 223.320 0.269 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877387408 590321754 /nfs/dbraw/zinc/32/17/54/590321754.db2.gz YMUWRDZKKGQNBV-SCVCMEIPSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877392625 590322135 /nfs/dbraw/zinc/32/21/35/590322135.db2.gz UNWSSSZDJDGUJA-GMOBBJLQSA-N 2 0 225.336 0.371 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877390724 590322311 /nfs/dbraw/zinc/32/23/11/590322311.db2.gz LVNOLGBWUGXOLR-FXPVBKGRSA-N 2 0 211.309 0.125 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877391083 590322373 /nfs/dbraw/zinc/32/23/73/590322373.db2.gz MLQBBYSAXATDDX-XLDPMVHQSA-N 2 0 247.289 0.370 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877390722 590322457 /nfs/dbraw/zinc/32/24/57/590322457.db2.gz LSMFVJJQUSNFPS-MRBYEJRBSA-N 2 0 237.347 0.385 20 0 BCADRP O=C(C[C@@H]1CC[NH2+]C1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877393501 590322458 /nfs/dbraw/zinc/32/24/58/590322458.db2.gz YOEKNJFQXNKSJR-GMXVVIOVSA-N 2 0 237.347 0.387 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877393444 590322467 /nfs/dbraw/zinc/32/24/67/590322467.db2.gz XUWBQPXYZCMKCV-DGCLKSJQSA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)o1 ZINC000877399294 590322801 /nfs/dbraw/zinc/32/28/01/590322801.db2.gz MLHXCOGIJYIDIG-DGCLKSJQSA-N 2 0 249.314 0.753 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877401903 590324012 /nfs/dbraw/zinc/32/40/12/590324012.db2.gz RJSAQKGXSVDVFX-MNOVXSKESA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877401904 590324062 /nfs/dbraw/zinc/32/40/62/590324062.db2.gz RJSAQKGXSVDVFX-QWRGUYRKSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+]CC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877402190 590324086 /nfs/dbraw/zinc/32/40/86/590324086.db2.gz ZREWEIJIHLZQTO-LLVKDONJSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877401902 590324340 /nfs/dbraw/zinc/32/43/40/590324340.db2.gz RJSAQKGXSVDVFX-GHMZBOCLSA-N 2 0 239.363 0.762 20 0 BCADRP CO[C@@H](C[NH3+])CC(=O)N(C)CCCCCC[NH3+] ZINC000877438808 590327847 /nfs/dbraw/zinc/32/78/47/590327847.db2.gz WOSJGEMYLWBRHR-LLVKDONJSA-N 2 0 245.367 0.328 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)CCCCCC[NH3+] ZINC000877438424 590327916 /nfs/dbraw/zinc/32/79/16/590327916.db2.gz OWVBSZXWBJLCOG-SNVBAGLBSA-N 2 0 215.341 0.559 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000877445292 590329095 /nfs/dbraw/zinc/32/90/95/590329095.db2.gz SPPNHUDUROKBPI-ZDUSSCGKSA-N 2 0 241.379 0.964 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877451646 590330040 /nfs/dbraw/zinc/33/00/40/590330040.db2.gz SCFPMPMJMIAYBU-FHUSYTEZSA-N 2 0 249.358 0.147 20 0 BCADRP CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)C(C)C ZINC000877983715 590465878 /nfs/dbraw/zinc/46/58/78/590465878.db2.gz QUMBRIQSQWBYEY-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H](C(=O)N1CCC12CC[NH+](C)CC2)[NH+](C)C ZINC000878954724 590662050 /nfs/dbraw/zinc/66/20/50/590662050.db2.gz DDSUPFCCDQKPJO-NSHDSACASA-N 2 0 239.363 0.633 20 0 BCADRP COCC[N@H+](C[C@H](C)O)CC1CC[NH+](C)CC1 ZINC000879126618 590695805 /nfs/dbraw/zinc/69/58/05/590695805.db2.gz LGUFEPHXJKUTHU-LBPRGKRZSA-N 2 0 244.379 0.657 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580010 590817006 /nfs/dbraw/zinc/81/70/06/590817006.db2.gz DCFGUYSDARTESU-TUAOUCFPSA-N 2 0 244.404 0.736 20 0 BCADRP C[C@H](CO)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580812 590821246 /nfs/dbraw/zinc/82/12/46/590821246.db2.gz KXVRWLOXWRPWLM-SDDRHHMPSA-N 2 0 212.337 0.641 20 0 BCADRP C[C@H](CO)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580813 590821663 /nfs/dbraw/zinc/82/16/63/590821663.db2.gz KXVRWLOXWRPWLM-SRVKXCTJSA-N 2 0 212.337 0.641 20 0 BCADRP CNC(=O)CC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472620 591053042 /nfs/dbraw/zinc/05/30/42/591053042.db2.gz VXSNFYGJHYJWNO-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH+]1CCC(NC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000129766766 591401839 /nfs/dbraw/zinc/40/18/39/591401839.db2.gz HIQBOFJOINKDTQ-LLVKDONJSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C[C@H]([NH3+])C1CC1 ZINC000129940344 591423920 /nfs/dbraw/zinc/42/39/20/591423920.db2.gz IAKUCNNBJCWKFH-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883417892 591651899 /nfs/dbraw/zinc/65/18/99/591651899.db2.gz QIEHWZLSDNSWKS-USZNOCQGSA-N 2 0 229.343 0.746 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883415784 591652300 /nfs/dbraw/zinc/65/23/00/591652300.db2.gz DZMMYAVRKUKDFH-DCAQKATOSA-N 2 0 215.316 0.500 20 0 BCADRP C[C@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@H](C)[NH2+]1 ZINC000883416726 591652457 /nfs/dbraw/zinc/65/24/57/591652457.db2.gz CNYQZBUOOARVQR-NAKRPEOUSA-N 2 0 215.316 0.369 20 0 BCADRP [NH3+]C1(CNC[C@@H]2C[C@H](F)C[NH2+]2)CCC1 ZINC000883425237 591658419 /nfs/dbraw/zinc/65/84/19/591658419.db2.gz PIPKBUOLAUBRLF-IUCAKERBSA-N 2 0 201.289 0.157 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C[C@@H]3C[C@H](F)C[NH2+]3)C[C@H]21 ZINC000883425555 591658591 /nfs/dbraw/zinc/65/85/91/591658591.db2.gz XFLXDTONZZOAPW-KSSYENDESA-N 2 0 241.354 0.746 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883425263 591659103 /nfs/dbraw/zinc/65/91/03/591659103.db2.gz QPGLTXWASBPXLM-SRVKXCTJSA-N 2 0 229.343 0.760 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883424983 591659526 /nfs/dbraw/zinc/65/95/26/591659526.db2.gz IYLNXDWVFCBQIQ-RCWTZXSCSA-N 2 0 215.316 0.356 20 0 BCADRP CC[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CC[C@H]1[NH3+] ZINC000883426913 591660102 /nfs/dbraw/zinc/66/01/02/591660102.db2.gz CTRJKEUZAAUNGD-NOOOWODRSA-N 2 0 229.343 0.746 20 0 BCADRP C[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)[C@@H](C)C[NH2+]1 ZINC000883429325 591660549 /nfs/dbraw/zinc/66/05/49/591660549.db2.gz SAWDTSXBTKNEJO-RCWTZXSCSA-N 2 0 215.316 0.369 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883427630 591660994 /nfs/dbraw/zinc/66/09/94/591660994.db2.gz XECVPANAGQMPHY-WOPDTQHZSA-N 2 0 229.343 0.747 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883430073 591661576 /nfs/dbraw/zinc/66/15/76/591661576.db2.gz MQNXUJJOCGMWQV-DGORSVRFSA-N 2 0 229.343 0.663 20 0 BCADRP C[N@@H+]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C(C)(C)C1 ZINC000883436786 591665682 /nfs/dbraw/zinc/66/56/82/591665682.db2.gz AUVJKWPXRDEDQJ-QWRGUYRKSA-N 2 0 229.343 0.712 20 0 BCADRP CC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)C[C@@H]2C1 ZINC000883448533 591671025 /nfs/dbraw/zinc/67/10/25/591671025.db2.gz IECNZSFDFFJGIS-RWMBFGLXSA-N 2 0 237.347 0.006 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883450347 591671130 /nfs/dbraw/zinc/67/11/30/591671130.db2.gz KFWWKTNOLXBSQU-SDDRHHMPSA-N 2 0 229.343 0.760 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C[C@H]1CC[NH2+]C1 ZINC000883448676 591671344 /nfs/dbraw/zinc/67/13/44/591671344.db2.gz MYOGZJRZKVFWSQ-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@H]1CN(CCC[NH3+])CCN1c1cc[nH+]cc1 ZINC000883447709 591671649 /nfs/dbraw/zinc/67/16/49/591671649.db2.gz JKDYIOQYCAKJNO-LBPRGKRZSA-N 2 0 234.347 0.941 20 0 BCADRP C[C@@H](CCO)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000132411472 591706843 /nfs/dbraw/zinc/70/68/43/591706843.db2.gz FKYWVRWBIVWPGK-QWRGUYRKSA-N 2 0 200.326 0.689 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@H](C)[NH+](C)C ZINC000883679277 591717608 /nfs/dbraw/zinc/71/76/08/591717608.db2.gz FNYVQTLQAGBJFE-QWRGUYRKSA-N 2 0 242.367 0.330 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132906302 591747014 /nfs/dbraw/zinc/74/70/14/591747014.db2.gz SEPUZIDVGRGBDW-OUAUKWLOSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]1C[N@H+](CCC(=O)N(C)C)CC[C@@H]1C[NH3+] ZINC000133079164 591762202 /nfs/dbraw/zinc/76/22/02/591762202.db2.gz PONCDQVTAGYBHB-GHMZBOCLSA-N 2 0 227.352 0.381 20 0 BCADRP CC1(C)C[N@H+](CCOCC[NH3+])CCS1 ZINC000133355076 591787852 /nfs/dbraw/zinc/78/78/52/591787852.db2.gz QAIXYJURHKDQGH-UHFFFAOYSA-N 2 0 218.366 0.789 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000884005033 591792594 /nfs/dbraw/zinc/79/25/94/591792594.db2.gz RHEOIMAMQUNUGT-ZJUUUORDSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000884009542 591796403 /nfs/dbraw/zinc/79/64/03/591796403.db2.gz YYEDIVNWJLKIEF-NXEZZACHSA-N 2 0 225.336 0.052 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000884011805 591797620 /nfs/dbraw/zinc/79/76/20/591797620.db2.gz QFCUDXITOSKSBX-UWVGGRQHSA-N 2 0 225.336 0.100 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000884011806 591797934 /nfs/dbraw/zinc/79/79/34/591797934.db2.gz QFCUDXITOSKSBX-VHSXEESVSA-N 2 0 225.336 0.100 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884014146 591799832 /nfs/dbraw/zinc/79/98/32/591799832.db2.gz CBMADXPSOMVUCN-SNVBAGLBSA-N 2 0 227.352 0.348 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC[NH2+]C1CC1 ZINC000884024143 591805280 /nfs/dbraw/zinc/80/52/80/591805280.db2.gz IMBUORYDICUXIO-LLVKDONJSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884024922 591805417 /nfs/dbraw/zinc/80/54/17/591805417.db2.gz HSLQCKLQYVGLGH-BXKDBHETSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@H]1C[NH2+]CC1(C)C)C1CC1 ZINC000884030976 591815349 /nfs/dbraw/zinc/81/53/49/591815349.db2.gz CGHQKTSWAKMNFI-ZWNOBZJWSA-N 2 0 239.363 0.476 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC2CC2)[C@H]1C[NH3+] ZINC000884034404 591816384 /nfs/dbraw/zinc/81/63/84/591816384.db2.gz DGUOMRYFKIJPLJ-USWWRNFRSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000884034410 591816580 /nfs/dbraw/zinc/81/65/80/591816580.db2.gz DNDVDZWCYLNGQJ-NXEZZACHSA-N 2 0 213.325 0.213 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884032786 591816707 /nfs/dbraw/zinc/81/67/07/591816707.db2.gz BQFJPRONMRNQMP-WDEREUQCSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884035045 591817296 /nfs/dbraw/zinc/81/72/96/591817296.db2.gz QVFOEGMUJJANLS-VHSXEESVSA-N 2 0 227.352 0.332 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884040704 591823348 /nfs/dbraw/zinc/82/33/48/591823348.db2.gz BFJKKTWLAZRPPI-JTQLQIEISA-N 2 0 241.379 0.675 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884040520 591823898 /nfs/dbraw/zinc/82/38/98/591823898.db2.gz VZZZTMRJJSZLCE-QWRGUYRKSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000884199157 591871406 /nfs/dbraw/zinc/87/14/06/591871406.db2.gz QVSBQPVDQBYVRJ-RYUDHWBXSA-N 2 0 241.379 0.831 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H]([NH3+])CCOC ZINC000884207363 591873430 /nfs/dbraw/zinc/87/34/30/591873430.db2.gz UHBOJMKXXVACTM-LLVKDONJSA-N 2 0 245.367 0.198 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000884241951 591879259 /nfs/dbraw/zinc/87/92/59/591879259.db2.gz GSAPNUONGXWYIE-GHMZBOCLSA-N 2 0 241.379 0.849 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000884241952 591879719 /nfs/dbraw/zinc/87/97/19/591879719.db2.gz GSAPNUONGXWYIE-MNOVXSKESA-N 2 0 241.379 0.849 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000884244674 591881095 /nfs/dbraw/zinc/88/10/95/591881095.db2.gz JJQMNSWUDRYUCA-WOPDTQHZSA-N 2 0 241.379 0.829 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC2(C)C)[C@H](C)C[NH2+]1 ZINC000884245124 591882000 /nfs/dbraw/zinc/88/20/00/591882000.db2.gz QHVQAMNTYOVZEB-MXWKQRLJSA-N 2 0 239.363 0.441 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884245532 591882285 /nfs/dbraw/zinc/88/22/85/591882285.db2.gz XNXHIFOTJYZLNF-INTQDDNPSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000884245083 591882321 /nfs/dbraw/zinc/88/23/21/591882321.db2.gz PTMNGRXCQXYNKI-DCAQKATOSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884245533 591882457 /nfs/dbraw/zinc/88/24/57/591882457.db2.gz XNXHIFOTJYZLNF-JMJZKYOTSA-N 2 0 225.336 0.310 20 0 BCADRP CC1(CNC(=O)[C@H]([NH3+])CC2CC2)CC[NH2+]CC1 ZINC000884246985 591883073 /nfs/dbraw/zinc/88/30/73/591883073.db2.gz FQNKDJOPAHVRLS-LLVKDONJSA-N 2 0 239.363 0.620 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884275766 591890650 /nfs/dbraw/zinc/89/06/50/591890650.db2.gz VFFRBUQYVFAJCS-SCZZXKLOSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884279558 591892351 /nfs/dbraw/zinc/89/23/51/591892351.db2.gz OEABTESGRLJNHZ-JQWIXIFHSA-N 2 0 225.336 0.311 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884286472 591893747 /nfs/dbraw/zinc/89/37/47/591893747.db2.gz FJKMDFWNUAVHNI-NWDGAFQWSA-N 2 0 239.363 0.844 20 0 BCADRP COCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000884287023 591895003 /nfs/dbraw/zinc/89/50/03/591895003.db2.gz QVXZRIPMQOXKGT-WDEREUQCSA-N 2 0 243.351 0.080 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884293751 591895614 /nfs/dbraw/zinc/89/56/14/591895614.db2.gz KRKCOEWSIHWELE-SNVBAGLBSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1C[NH2+]CC1(C)C)[C@H](C)[NH3+] ZINC000884297337 591897946 /nfs/dbraw/zinc/89/79/46/591897946.db2.gz OTSWOCFSZMYOQD-YIZRAAEISA-N 2 0 213.325 0.084 20 0 BCADRP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@H](C)[NH3+])cn1 ZINC000884297893 591898394 /nfs/dbraw/zinc/89/83/94/591898394.db2.gz ZBFFJGLLDKZPHG-VHSXEESVSA-N 2 0 238.335 0.779 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000884300291 591898802 /nfs/dbraw/zinc/89/88/02/591898802.db2.gz UUOQTDMNTLEVPG-RYUDHWBXSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000884300289 591899182 /nfs/dbraw/zinc/89/91/82/591899182.db2.gz UUOQTDMNTLEVPG-NEPJUHHUSA-N 2 0 239.363 0.762 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000884304150 591899360 /nfs/dbraw/zinc/89/93/60/591899360.db2.gz HUCWPWGHCUFHHA-MXWKQRLJSA-N 2 0 237.347 0.052 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000884302972 591899738 /nfs/dbraw/zinc/89/97/38/591899738.db2.gz CTTJRGLBTHYIGR-GARJFASQSA-N 2 0 239.363 0.476 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000884300290 591899824 /nfs/dbraw/zinc/89/98/24/591899824.db2.gz UUOQTDMNTLEVPG-NWDGAFQWSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884338823 591905088 /nfs/dbraw/zinc/90/50/88/591905088.db2.gz TVIOBLNFMCXEIQ-ZJUUUORDSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884338768 591905697 /nfs/dbraw/zinc/90/56/97/591905697.db2.gz RGXXSZLKJLMJDG-NXEZZACHSA-N 2 0 241.379 0.722 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884339752 591906528 /nfs/dbraw/zinc/90/65/28/591906528.db2.gz WILWTONDRLCDNH-HGNGGELXSA-N 2 0 211.309 0.062 20 0 BCADRP CC1(C)[C@H](NC(=O)C2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000884347881 591908497 /nfs/dbraw/zinc/90/84/97/591908497.db2.gz IUXPDNICQYKMTJ-VHSXEESVSA-N 2 0 225.336 0.228 20 0 BCADRP CC1(C)[C@H](NC(=O)C2(C[NH3+])CCCC2)C[C@@H]1[NH3+] ZINC000884347734 591908608 /nfs/dbraw/zinc/90/86/08/591908608.db2.gz DFQQRKBEVAEQDO-VHSXEESVSA-N 2 0 239.363 0.748 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884347671 591908937 /nfs/dbraw/zinc/90/89/37/591908937.db2.gz BFICRJWXXAFHOK-CIUDSAMLSA-N 2 0 213.325 0.084 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000884347733 591909225 /nfs/dbraw/zinc/90/92/25/591909225.db2.gz DFQQRKBEVAEQDO-UWVGGRQHSA-N 2 0 239.363 0.748 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000884348282 591909866 /nfs/dbraw/zinc/90/98/66/591909866.db2.gz SSJIFGQNSMUMDB-ZJUUUORDSA-N 2 0 239.363 0.890 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884348114 591910123 /nfs/dbraw/zinc/91/01/23/591910123.db2.gz OIVYPLQRWMFLOJ-JGVFFNPUSA-N 2 0 213.325 0.356 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000884348226 591910145 /nfs/dbraw/zinc/91/01/45/591910145.db2.gz RDYSSCLWKPSYBL-MNOVXSKESA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000884357789 591912623 /nfs/dbraw/zinc/91/26/23/591912623.db2.gz FPQNOXIFIYVXDU-BREBYQMCSA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884358918 591912957 /nfs/dbraw/zinc/91/29/57/591912957.db2.gz ZZPPIGKDWGARHC-DJLDLDEBSA-N 2 0 225.336 0.226 20 0 BCADRP CC1(C)[C@H](NC(=O)CCCC[NH3+])C[C@@H]1[NH3+] ZINC000884357716 591913155 /nfs/dbraw/zinc/91/31/55/591913155.db2.gz DFTHKCJKUKAVAI-DTWKUNHWSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)CC[N@@H+]1C ZINC000884361704 591914442 /nfs/dbraw/zinc/91/44/42/591914442.db2.gz XJKFJQOFRANMFX-CHWFTXMASA-N 2 0 239.363 0.569 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C)[C@H](C)[NH3+] ZINC000884361601 591915003 /nfs/dbraw/zinc/91/50/03/591915003.db2.gz VRGJFTWJGXHESJ-MMWGEVLESA-N 2 0 241.379 0.848 20 0 BCADRP CC1(C)[C@H](NC(=O)CC[NH2+]C2CC2)C[C@@H]1[NH3+] ZINC000884362667 591915522 /nfs/dbraw/zinc/91/55/22/591915522.db2.gz PGBPRQLQYHQABB-VHSXEESVSA-N 2 0 225.336 0.371 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884362694 591915964 /nfs/dbraw/zinc/91/59/64/591915964.db2.gz POQGAJCJBBBHDN-XHNCKOQMSA-N 2 0 213.325 0.226 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884365371 591917312 /nfs/dbraw/zinc/91/73/12/591917312.db2.gz IGYHZYKUEQTOBC-AEJSXWLSSA-N 2 0 225.336 0.356 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884371981 591918910 /nfs/dbraw/zinc/91/89/10/591918910.db2.gz CWCHLJOKEZHYHM-AEJSXWLSSA-N 2 0 227.352 0.474 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NCCC[NH2+]C1CC1 ZINC000884375742 591920059 /nfs/dbraw/zinc/92/00/59/591920059.db2.gz KJLQFWQJEYIRRT-LBPRGKRZSA-N 2 0 241.379 0.879 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000884385586 591921672 /nfs/dbraw/zinc/92/16/72/591921672.db2.gz QOYUGEXJIHBNSY-SNVBAGLBSA-N 2 0 239.363 0.477 20 0 BCADRP [NH3+]CCC1CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884388387 591922267 /nfs/dbraw/zinc/92/22/67/591922267.db2.gz TXTWERXQHNUANT-LBPRGKRZSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884389914 591922809 /nfs/dbraw/zinc/92/28/09/591922809.db2.gz JCDYHIXQJBMVCM-MIMYLULJSA-N 2 0 225.336 0.452 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884389912 591923588 /nfs/dbraw/zinc/92/35/88/591923588.db2.gz JCDYHIXQJBMVCM-FBIMIBRVSA-N 2 0 225.336 0.452 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000884419253 591928880 /nfs/dbraw/zinc/92/88/80/591928880.db2.gz LQNGWPYUWPKCOR-KXUCPTDWSA-N 2 0 229.299 0.012 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000884418759 591929378 /nfs/dbraw/zinc/92/93/78/591929378.db2.gz VBFNQIOPNYDYEI-IVZWLZJFSA-N 2 0 243.326 0.130 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)C[NH2+]1 ZINC000884437295 591933937 /nfs/dbraw/zinc/93/39/37/591933937.db2.gz CLCOPJFQRYLSPL-GMTAPVOTSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC2CC2)C[NH2+]1 ZINC000884437836 591934319 /nfs/dbraw/zinc/93/43/19/591934319.db2.gz OBBVXIRHISNZEE-IEBDPFPHSA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)C[C@H](C)[NH3+] ZINC000884444633 591936734 /nfs/dbraw/zinc/93/67/34/591936734.db2.gz QVPSXNAOADHACA-VHSXEESVSA-N 2 0 229.368 0.802 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884445850 591936811 /nfs/dbraw/zinc/93/68/11/591936811.db2.gz YWKYLTRFYDCWMG-IVZWLZJFSA-N 2 0 225.336 0.099 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884457422 591940046 /nfs/dbraw/zinc/94/00/46/591940046.db2.gz BOYIXIFMRYOKCW-OUAUKWLOSA-N 2 0 237.347 0.195 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884457421 591940150 /nfs/dbraw/zinc/94/01/50/591940150.db2.gz BOYIXIFMRYOKCW-AXFHLTTASA-N 2 0 237.347 0.195 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884468191 591943233 /nfs/dbraw/zinc/94/32/33/591943233.db2.gz UCOCKEQQUKHMJW-NSHDSACASA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H](NC(=O)[C@H]([NH3+])CC1CC1)C1CC[NH2+]CC1 ZINC000884471800 591945006 /nfs/dbraw/zinc/94/50/06/591945006.db2.gz GQAQZRAUJFYXHT-BXKDBHETSA-N 2 0 239.363 0.618 20 0 BCADRP C([C@H]1C[C@@]12CCOC2)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000885961393 592115692 /nfs/dbraw/zinc/11/56/92/592115692.db2.gz XBFJAIXCPDUXNU-WUHRBBMRSA-N 2 0 222.332 0.564 20 0 BCADRP O[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1O ZINC000886247144 592185965 /nfs/dbraw/zinc/18/59/65/592185965.db2.gz IUBCOYMQQVPYAD-IEECTRCBSA-N 2 0 240.347 0.087 20 0 BCADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCC[NH+](C)C)C1 ZINC000886489616 592236074 /nfs/dbraw/zinc/23/60/74/592236074.db2.gz MXHCVPVALHDTFQ-MNOVXSKESA-N 2 0 228.336 0.869 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H]([NH3+])CCOC ZINC000220014391 592273141 /nfs/dbraw/zinc/27/31/41/592273141.db2.gz ISUJIPAJTDJGDS-LLVKDONJSA-N 2 0 245.367 0.198 20 0 BCADRP [NH3+]C1(C[NH2+]C[C@@H]2C[C@@]23CCOC3)CCC1 ZINC000886832956 592356148 /nfs/dbraw/zinc/35/61/48/592356148.db2.gz QIRKEKLLWCBGFM-WDEREUQCSA-N 2 0 210.321 0.884 20 0 BCADRP C([C@@H]1C[C@]12CCOC2)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000886838411 592359259 /nfs/dbraw/zinc/35/92/59/592359259.db2.gz XBFJAIXCPDUXNU-RNJOBUHISA-N 2 0 222.332 0.564 20 0 BCADRP [NH3+]CC12CC(C1)C[N@@H+]2C[C@H]1C[C@@]12CCOC2 ZINC000886841538 592362823 /nfs/dbraw/zinc/36/28/23/592362823.db2.gz OBWFBKCDSINXHG-QZQSVVMZSA-N 2 0 222.332 0.836 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886860116 592372763 /nfs/dbraw/zinc/37/27/63/592372763.db2.gz RTTLMQNGHHJOBX-VXGBXAGGSA-N 2 0 228.336 0.463 20 0 BCADRP [NH2+]=C(NCC[NH+]1CCCC1)NCC1CC1 ZINC000887347404 592484752 /nfs/dbraw/zinc/48/47/52/592484752.db2.gz UKOOEIYZNSPMIZ-UHFFFAOYSA-N 2 0 210.325 0.606 20 0 BCADRP C[NH+](C)[C@@H](CNC(=[NH2+])NCC(F)F)C1CC1 ZINC000887351476 592486262 /nfs/dbraw/zinc/48/62/62/592486262.db2.gz QGQCJGVVLWLYIN-QMMMGPOBSA-N 2 0 234.294 0.706 20 0 BCADRP C[C@H](CNC(=[NH2+])NCC1CC1)[N@H+](C)C1CC1 ZINC000887352937 592486414 /nfs/dbraw/zinc/48/64/14/592486414.db2.gz VGELIQXCMSWITB-SECBINFHSA-N 2 0 224.352 0.993 20 0 BCADRP C[NH+](C)[C@H](CNC(=[NH2+])NCC(F)F)C1CC1 ZINC000887351475 592486512 /nfs/dbraw/zinc/48/65/12/592486512.db2.gz QGQCJGVVLWLYIN-MRVPVSSYSA-N 2 0 234.294 0.706 20 0 BCADRP C[C@@H](CNC(=[NH2+])NCC(F)F)C[NH+](C)C ZINC000887360716 592490488 /nfs/dbraw/zinc/49/04/88/592490488.db2.gz SWBTYSFOSKOEQW-ZETCQYMHSA-N 2 0 222.283 0.563 20 0 BCADRP CCNC(=[NH2+])NCC[N@H+](C)[C@H](C)CC ZINC000300355282 592507311 /nfs/dbraw/zinc/50/73/11/592507311.db2.gz NIDWULUPFMTHQK-SECBINFHSA-N 2 0 200.330 0.851 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925703948 634382423 /nfs/dbraw/zinc/38/24/23/634382423.db2.gz WMWXJFBXIFYCCR-UTINFBMNSA-N 2 0 223.320 0.110 20 0 BCADRP CCC[N@@H+]1CC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925703671 634382584 /nfs/dbraw/zinc/38/25/84/634382584.db2.gz AXBWEWGMQUMBEJ-VXGBXAGGSA-N 2 0 227.352 0.049 20 0 BCADRP C(CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C[NH2+]C1CC1 ZINC000925703817 634382651 /nfs/dbraw/zinc/38/26/51/634382651.db2.gz FAWJBYSRTKUECC-GOCOPAARSA-N 2 0 235.375 0.715 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925705140 634385614 /nfs/dbraw/zinc/38/56/14/634385614.db2.gz HXYQTJKSBFDRNE-WRWGMCAJSA-N 3 0 223.364 0.973 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925705138 634387039 /nfs/dbraw/zinc/38/70/39/634387039.db2.gz HXYQTJKSBFDRNE-NOOOWODRSA-N 3 0 223.364 0.973 20 0 BCADRP C[C@@H]1NCCC[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000925705904 634387838 /nfs/dbraw/zinc/38/78/38/634387838.db2.gz IYOVYNWXPFQPBN-SRVKXCTJSA-N 2 0 223.364 0.859 20 0 BCADRP C[N@@H+]1CCC[C@H]1CN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925716574 634449876 /nfs/dbraw/zinc/44/98/76/634449876.db2.gz AJUJMBSUYJVSBI-QJPTWQEYSA-N 2 0 223.364 0.940 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)CCC[NH3+] ZINC000236711384 634457548 /nfs/dbraw/zinc/45/75/48/634457548.db2.gz IUTOOTLCGASWHU-UHFFFAOYSA-N 2 0 215.341 0.573 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257693963 634469548 /nfs/dbraw/zinc/46/95/48/634469548.db2.gz OGYHTIXDQMLRCZ-RYUDHWBXSA-N 2 0 209.337 0.424 20 0 BCADRP [NH3+][C@H](C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)C1CCC1 ZINC000335638354 634504428 /nfs/dbraw/zinc/50/44/28/634504428.db2.gz KGHJXGZJWAVPED-AAEUAGOBSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+]C1CC(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925727640 634525949 /nfs/dbraw/zinc/52/59/49/634525949.db2.gz AUGGSVRQKIQHNQ-WFBLGPOFSA-N 3 0 209.337 0.583 20 0 BCADRP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000125545920 634539529 /nfs/dbraw/zinc/53/95/29/634539529.db2.gz WFYKQKJPKCGMGT-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP [NH3+]C1CC(C[NH2+]C2C3CC4C[NH2+]C2C4C3)C1 ZINC000925729524 634544026 /nfs/dbraw/zinc/54/40/26/634544026.db2.gz KCXLXWKAKQRDRB-UARPKCRYSA-N 3 0 221.348 0.310 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)NCC1CC[NH2+]CC1 ZINC000120635324 634546107 /nfs/dbraw/zinc/54/61/07/634546107.db2.gz WSUSNCASQGMBCV-LLVKDONJSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)[C@@H](C)C[NH2+]1 ZINC000310139583 635200090 /nfs/dbraw/zinc/20/00/90/635200090.db2.gz JUYKVZCFQSCQNA-AGIUHOORSA-N 2 0 241.379 0.125 20 0 BCADRP [NH3+]CCc1nc(CC2CC[NH2+]CC2)no1 ZINC000258206554 634593243 /nfs/dbraw/zinc/59/32/43/634593243.db2.gz ZOGALQHKXFPOFE-UHFFFAOYSA-N 2 0 210.281 0.113 20 0 BCADRP CC(C)(C)CC[NH2+]CCN1CC[NH2+]CC1 ZINC000083347607 635243861 /nfs/dbraw/zinc/24/38/61/635243861.db2.gz BBZAPOWIAQSLKI-UHFFFAOYSA-N 2 0 213.369 0.917 20 0 BCADRP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925792808 635325273 /nfs/dbraw/zinc/32/52/73/635325273.db2.gz WGTSYXUZYGCZGY-WISYIIOYSA-N 2 0 211.353 0.382 20 0 BCADRP [NH3+]Cc1cccc(C(=O)NCC[NH+]2CCCC2)c1 ZINC000054110914 635393482 /nfs/dbraw/zinc/39/34/82/635393482.db2.gz BOSHZTPBRMVXLZ-UHFFFAOYSA-N 2 0 247.342 0.971 20 0 BCADRP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@@H+](C)C1)C2 ZINC000250602146 635485927 /nfs/dbraw/zinc/48/59/27/635485927.db2.gz KKHOQZHEOIZMCS-WODVXLOZSA-N 2 0 223.364 0.905 20 0 BCADRP CCC[C@H](O)CC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000925857589 635548661 /nfs/dbraw/zinc/54/86/61/635548661.db2.gz MOEIVUVNLVJHGF-ONGXEEELSA-N 2 0 200.326 0.735 20 0 BCADRP CCC[C@@H](O)CC[NH2+]C1CC[NH2+]CC1 ZINC000925860104 635554521 /nfs/dbraw/zinc/55/45/21/635554521.db2.gz UZACXTQXULZWSO-LLVKDONJSA-N 2 0 200.326 0.879 20 0 BCADRP C(CO[C@@H]1CCOC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925873709 635592738 /nfs/dbraw/zinc/59/27/38/635592738.db2.gz CKIROEJWRNNTIE-ZGVCCVRISA-N 2 0 240.347 0.665 20 0 BCADRP C[C@H]1NCCC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880409 635607912 /nfs/dbraw/zinc/60/79/12/635607912.db2.gz RDGZQYNQTABQBK-WISYIIOYSA-N 2 0 211.353 0.844 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000925880544 635608640 /nfs/dbraw/zinc/60/86/40/635608640.db2.gz RTJOSYANKOWHRB-QCNOEVLYSA-N 3 0 211.353 0.973 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000087221728 631478671 /nfs/dbraw/zinc/47/86/71/631478671.db2.gz OKQILPZTIZEVLF-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000308732325 631557149 /nfs/dbraw/zinc/55/71/49/631557149.db2.gz WIYWHRBQTFBKAV-VXGBXAGGSA-N 2 0 212.337 0.785 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCC[NH2+]C1CC1 ZINC000891967798 631653469 /nfs/dbraw/zinc/65/34/69/631653469.db2.gz AVKCVJORSOALAC-NXEZZACHSA-N 2 0 240.351 0.260 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000892082204 631722595 /nfs/dbraw/zinc/72/25/95/631722595.db2.gz HJWXRIPTTRQECM-GHMZBOCLSA-N 2 0 240.351 0.261 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000892082206 631723638 /nfs/dbraw/zinc/72/36/38/631723638.db2.gz HJWXRIPTTRQECM-WDEREUQCSA-N 2 0 240.351 0.261 20 0 BCADRP C[C@H](CC[NH+](C)C)Nc1cc[nH+]cc1CO ZINC000892085122 631724838 /nfs/dbraw/zinc/72/48/38/631724838.db2.gz IEJYTVBVRGMSKJ-SNVBAGLBSA-N 2 0 223.320 0.748 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000892088711 631725714 /nfs/dbraw/zinc/72/57/14/631725714.db2.gz MBDLSYIGLVKVPX-UWVGGRQHSA-N 2 0 242.367 0.683 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)NC1(C[NH3+])CCCCC1 ZINC000892088680 631725912 /nfs/dbraw/zinc/72/59/12/631725912.db2.gz LEYDAQOPPDFEDH-VIFPVBQESA-N 2 0 228.340 0.294 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000892101887 631728840 /nfs/dbraw/zinc/72/88/40/631728840.db2.gz FWCYEEMNPKRMKZ-VIFPVBQESA-N 2 0 228.340 0.069 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892102405 631731203 /nfs/dbraw/zinc/73/12/03/631731203.db2.gz IGRPITIGHICGFH-OPRDCNLKSA-N 2 0 228.340 0.150 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000892170999 631753196 /nfs/dbraw/zinc/75/31/96/631753196.db2.gz UWTGUEUBNWPPRO-RCWTZXSCSA-N 2 0 240.351 0.245 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000892199050 631777937 /nfs/dbraw/zinc/77/79/37/631777937.db2.gz IPNCWFMTRNGZGK-AXTSPUMRSA-N 2 0 228.340 0.243 20 0 BCADRP CCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])[C@H]1CC[NH2+]C1 ZINC000892198896 631778091 /nfs/dbraw/zinc/77/80/91/631778091.db2.gz QMSKXHXRPFYQRI-AXFHLTTASA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892199106 631778117 /nfs/dbraw/zinc/77/81/17/631778117.db2.gz JQGNCACLOCFGQM-YTWAJWBKSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892198129 631778127 /nfs/dbraw/zinc/77/81/27/631778127.db2.gz GOLJYRUXFMTFFM-KXUCPTDWSA-N 2 0 228.340 0.245 20 0 BCADRP C[N@H+](C[C@H](O)C[NH+]1CCCC1)CC(C)(C)O ZINC000309056114 631833326 /nfs/dbraw/zinc/83/33/26/631833326.db2.gz FHZDWNAEENGALZ-NSHDSACASA-N 2 0 230.352 0.146 20 0 BCADRP C[C@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)[NH+](C)C ZINC000235493651 632043330 /nfs/dbraw/zinc/04/33/30/632043330.db2.gz CFFVLZYKCLFECC-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000161551096 632077418 /nfs/dbraw/zinc/07/74/18/632077418.db2.gz VIHHOLXCKVUANU-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000161550907 632078326 /nfs/dbraw/zinc/07/83/26/632078326.db2.gz VIHHOLXCKVUANU-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]1C[N@H+](CCn2cccn2)CC[C@H]1C[NH3+] ZINC000251730945 635706449 /nfs/dbraw/zinc/70/64/49/635706449.db2.gz KHNUPTLSQLOMSO-RYUDHWBXSA-N 2 0 222.336 0.800 20 0 BCADRP CC[NH2+]CC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000309503928 632433381 /nfs/dbraw/zinc/43/33/81/632433381.db2.gz VJXQEBSRKFNSFV-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH2+]CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000309527234 632470808 /nfs/dbraw/zinc/47/08/08/632470808.db2.gz BDDROSUITLWHFJ-ZJUUUORDSA-N 2 0 213.325 0.100 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]([NH3+])CCOC ZINC000052810346 632497925 /nfs/dbraw/zinc/49/79/25/632497925.db2.gz SPIMLRHMGHQIPD-MNOVXSKESA-N 2 0 245.367 0.197 20 0 BCADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCOC1 ZINC000235267760 632600168 /nfs/dbraw/zinc/60/01/68/632600168.db2.gz IOIFFCAEVMVMMF-RHYQMDGZSA-N 2 0 212.337 0.857 20 0 BCADRP C[C@H](O)CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000308989427 632610781 /nfs/dbraw/zinc/61/07/81/632610781.db2.gz NDCHPEZBPRVVOK-SDDRHHMPSA-N 2 0 212.337 0.641 20 0 BCADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000310223037 632708566 /nfs/dbraw/zinc/70/85/66/632708566.db2.gz XLHFCEVFADMQNC-WOPDTQHZSA-N 2 0 241.379 0.973 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000310295467 632716962 /nfs/dbraw/zinc/71/69/62/632716962.db2.gz SLKAAWJKMFMIIV-CHWSQXEVSA-N 2 0 241.379 0.127 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=[NH2+])NC1CC1 ZINC000052040971 632781085 /nfs/dbraw/zinc/78/10/85/632781085.db2.gz VVXXLYYXYTVVOF-UHFFFAOYSA-N 2 0 212.341 0.851 20 0 BCADRP CCNC(=[NH2+])NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000052043280 632782319 /nfs/dbraw/zinc/78/23/19/632782319.db2.gz NAVVJAGRDZNOHP-SNVBAGLBSA-N 2 0 212.341 0.851 20 0 BCADRP CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000066245132 632860051 /nfs/dbraw/zinc/86/00/51/632860051.db2.gz JPNCYLXYMSQVRV-JTQLQIEISA-N 2 0 212.341 0.641 20 0 BCADRP Cn1cc(CC[N@@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000236081835 632875833 /nfs/dbraw/zinc/87/58/33/632875833.db2.gz PHTFLZIDSPPHMR-LBPRGKRZSA-N 2 0 222.336 0.633 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](CCOCC(F)F)C1 ZINC000236233741 632901109 /nfs/dbraw/zinc/90/11/09/632901109.db2.gz YMBVEEOZUCWNMY-QMMMGPOBSA-N 2 0 208.252 0.549 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892544185 632946361 /nfs/dbraw/zinc/94/63/61/632946361.db2.gz HHCQUARRXMFQIR-DTORHVGOSA-N 2 0 228.340 0.150 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892549480 632956780 /nfs/dbraw/zinc/95/67/80/632956780.db2.gz TYDQEIGCVBWWGF-DTORHVGOSA-N 2 0 228.340 0.150 20 0 BCADRP CCN(C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000892564450 632975048 /nfs/dbraw/zinc/97/50/48/632975048.db2.gz FROCAYYGEOBBBC-DCAQKATOSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@]1(CN2CC[C@@]3(CCC[NH2+]3)C2)CC[NH2+]C1 ZINC000335248078 635869835 /nfs/dbraw/zinc/86/98/35/635869835.db2.gz FLZWHBPXBXZWGG-STQMWFEESA-N 2 0 223.364 0.814 20 0 BCADRP C[C@H](CCNc1cc[nH+]cc1CO)[NH+](C)C ZINC000894520526 635902816 /nfs/dbraw/zinc/90/28/16/635902816.db2.gz BEHMFNBWCIBSIE-SNVBAGLBSA-N 2 0 223.320 0.748 20 0 BCADRP C[C@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000062858081 633127006 /nfs/dbraw/zinc/12/70/06/633127006.db2.gz ZLBHXVKYBZPJQK-ZYHUDNBSSA-N 2 0 227.352 0.442 20 0 BCADRP C[N@H+](CCOCC[NH3+])C1CCC([NH3+])CC1 ZINC000309760645 633240914 /nfs/dbraw/zinc/24/09/14/633240914.db2.gz IPIQTFRCNXJJGE-UHFFFAOYSA-N 3 0 215.341 0.163 20 0 BCADRP C[C@H]1[C@H](NC(=O)[C@@H]2CCCCN2C)CC[N@@H+]1C ZINC000928444406 635949551 /nfs/dbraw/zinc/94/95/51/635949551.db2.gz ZAPKEAVCHOJOAS-TUAOUCFPSA-N 2 0 239.363 0.680 20 0 BCADRP [NH3+]CC1(O)CC[NH+](C/C=C/Cl)CC1 ZINC000306664763 635973872 /nfs/dbraw/zinc/97/38/72/635973872.db2.gz XJMOXLODCKKOSD-DAFODLJHSA-N 2 0 204.701 0.525 20 0 BCADRP CC(C)[N@H+](C[C@H](O)CO)CC1CC[NH+](C)CC1 ZINC000894981865 636011347 /nfs/dbraw/zinc/01/13/47/636011347.db2.gz VHMUPPGSQDHVSO-ZDUSSCGKSA-N 2 0 244.379 0.392 20 0 BCADRP CCCN(C(=O)C[C@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000178927181 636001406 /nfs/dbraw/zinc/00/14/06/636001406.db2.gz JWKVWWMSIRFKTB-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000334435426 636045173 /nfs/dbraw/zinc/04/51/73/636045173.db2.gz OSUPQHNQBMJJGU-LLVKDONJSA-N 2 0 223.320 0.080 20 0 BCADRP OCC[N@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000212455435 636096266 /nfs/dbraw/zinc/09/62/66/636096266.db2.gz CAELXKOBCQOXDD-NSHDSACASA-N 2 0 212.337 0.833 20 0 BCADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928560188 636104087 /nfs/dbraw/zinc/10/40/87/636104087.db2.gz PVUIEULDHVUEQE-QWRGUYRKSA-N 2 0 241.379 0.973 20 0 BCADRP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928561778 636108006 /nfs/dbraw/zinc/10/80/06/636108006.db2.gz FUOZSTBEHVWSRP-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP COCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328407769 633763748 /nfs/dbraw/zinc/76/37/48/633763748.db2.gz FVJRTUJTEOCBIN-JZRPKSSGSA-N 2 0 224.348 0.999 20 0 BCADRP C[C@H](O)C[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328524650 633770409 /nfs/dbraw/zinc/77/04/09/633770409.db2.gz IQEWFFPEDNXQEI-QMNVILFCSA-N 2 0 224.348 0.732 20 0 BCADRP C[NH+](C)CCCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328550542 633773263 /nfs/dbraw/zinc/77/32/63/633773263.db2.gz SKAILJIURGACJV-JZRPKSSGSA-N 2 0 223.364 0.524 20 0 BCADRP C[NH+](C)CCCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328550543 633774520 /nfs/dbraw/zinc/77/45/20/633774520.db2.gz SKAILJIURGACJV-NWBUJAPZSA-N 2 0 223.364 0.524 20 0 BCADRP CC(C)(CCO)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328561552 633775626 /nfs/dbraw/zinc/77/56/26/633775626.db2.gz GRVZIIJYYGUOOD-JZRPKSSGSA-N 2 0 238.375 0.981 20 0 BCADRP C[N@@H+]1CCC[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000328566310 633776712 /nfs/dbraw/zinc/77/67/12/633776712.db2.gz MPAZSTLPBCUMJX-MNQBEEPXSA-N 2 0 249.402 0.914 20 0 BCADRP CC(C)C[C@@H](CN[C@@H]1C[NH2+]CCOC1)[NH+](C)C ZINC000925535824 633932928 /nfs/dbraw/zinc/93/29/28/633932928.db2.gz LMJWEFVCOAWTOB-OLZOCXBDSA-N 2 0 243.395 0.541 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000895470098 636148707 /nfs/dbraw/zinc/14/87/07/636148707.db2.gz SKTPXFMJUOOBFD-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH+](C)C[C@H](O)CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925608891 634144387 /nfs/dbraw/zinc/14/43/87/634144387.db2.gz LLOJKIIOBIQABE-NEPJUHHUSA-N 2 0 241.379 0.173 20 0 BCADRP CC1(C)C[NH2+]CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000310442640 634146794 /nfs/dbraw/zinc/14/67/94/634146794.db2.gz WDNYTQFIYFQOGY-GFCCVEGCSA-N 2 0 241.379 0.127 20 0 BCADRP C[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925611182 634150330 /nfs/dbraw/zinc/15/03/30/634150330.db2.gz BHCYVBVHHINFTB-KXUCPTDWSA-N 2 0 200.326 0.863 20 0 BCADRP C[C@@H](CO)[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925615148 634159320 /nfs/dbraw/zinc/15/93/20/634159320.db2.gz MFGHHKYLUJQGQR-VLEAKVRGSA-N 2 0 212.337 0.733 20 0 BCADRP COC[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925667821 634245289 /nfs/dbraw/zinc/24/52/89/634245289.db2.gz SLAORFCXEIABHR-GARJFASQSA-N 2 0 230.352 0.489 20 0 BCADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1C[NH2+]CCOC1 ZINC000925674847 634258912 /nfs/dbraw/zinc/25/89/12/634258912.db2.gz DELRBNNZSPFQBD-CHWSQXEVSA-N 2 0 243.395 0.685 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925685988 634297094 /nfs/dbraw/zinc/29/70/94/634297094.db2.gz OZULCCKSVCDDAE-ZDCRXTMVSA-N 2 0 226.320 0.260 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000925686073 634297377 /nfs/dbraw/zinc/29/73/77/634297377.db2.gz QZVIBXZKRYCGIP-IVZWLZJFSA-N 2 0 225.336 0.371 20 0 BCADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CNC(=O)C2)C[C@@H]([NH3+])C1 ZINC000925685567 634299641 /nfs/dbraw/zinc/29/96/41/634299641.db2.gz LDFYDGNFOPEUNH-MXWKQRLJSA-N 2 0 239.363 0.618 20 0 BCADRP O[C@@H]1CCC[C@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925689279 634306696 /nfs/dbraw/zinc/30/66/96/634306696.db2.gz FPMCCSUTRAJVRV-SWYYREQYSA-N 2 0 236.359 0.733 20 0 BCADRP CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001026734588 634312319 /nfs/dbraw/zinc/31/23/19/634312319.db2.gz PYHLVKBDACWBHE-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCC1(CO)CC1 ZINC000925691511 634318347 /nfs/dbraw/zinc/31/83/47/634318347.db2.gz NLOHUFPCMMJLSU-JTQLQIEISA-N 2 0 212.337 0.879 20 0 BCADRP [NH3+][C@@H]1C[C@H](NC2CC[NH2+]CC2)C12CCC2 ZINC000925691858 634319848 /nfs/dbraw/zinc/31/98/48/634319848.db2.gz NFQQNBVVKWYRPA-MNOVXSKESA-N 2 0 209.337 0.598 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NCCCN1CC[NH2+]CC1 ZINC000925691850 634320093 /nfs/dbraw/zinc/32/00/93/634320093.db2.gz NFLQTKHCWMZHKV-GFCCVEGCSA-N 2 0 240.395 0.012 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000925693036 634325948 /nfs/dbraw/zinc/32/59/48/634325948.db2.gz NRBSDLUWHUJUEU-VQXHTEKXSA-N 3 0 211.353 0.986 20 0 BCADRP CC(C)[C@@H]([NH3+])CN[C@H]1CC[NH2+]C12CCC2 ZINC000925693604 634330347 /nfs/dbraw/zinc/33/03/47/634330347.db2.gz PUFMXTJVEUTNLR-QWRGUYRKSA-N 2 0 211.353 0.844 20 0 BCADRP [NH3+][C@@H]1C[C@@H](NCC[NH2+]C2CC2)C12CCC2 ZINC000925694268 634335152 /nfs/dbraw/zinc/33/51/52/634335152.db2.gz RPOLBBRGGCDYAF-GHMZBOCLSA-N 2 0 209.337 0.598 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000925695217 634344119 /nfs/dbraw/zinc/34/41/19/634344119.db2.gz UNXYDMDIEMDZMO-GHMZBOCLSA-N 3 0 211.353 0.716 20 0 BCADRP C[NH2+]CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925695235 634345633 /nfs/dbraw/zinc/34/56/33/634345633.db2.gz UUGRQWUMPPOGQG-OLZOCXBDSA-N 2 0 225.380 0.964 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CCCC[NH2+]1 ZINC000925696229 634351743 /nfs/dbraw/zinc/35/17/43/634351743.db2.gz YIJVVUVJCQAZHR-TUAOUCFPSA-N 2 0 211.353 0.859 20 0 BCADRP [NH3+][C@@H](CN[C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925697340 634359577 /nfs/dbraw/zinc/35/95/77/634359577.db2.gz DRYDEQCXRNXLPP-QWRGUYRKSA-N 2 0 209.337 0.598 20 0 BCADRP C[C@H]([NH3+])c1ccc(CN[C@H]2C[NH2+]CCOC2)cc1 ZINC000925697335 634360907 /nfs/dbraw/zinc/36/09/07/634360907.db2.gz DRQKCPNDPYJNLA-FZMZJTMJSA-N 2 0 249.358 0.784 20 0 BCADRP C[C@H](C[NH3+])N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925698603 634364921 /nfs/dbraw/zinc/36/49/21/634364921.db2.gz KYRVFWZHGLMNIB-ZNSHCXBVSA-N 2 0 211.353 0.700 20 0 BCADRP C[C@H](C[NH3+])N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925698600 634365318 /nfs/dbraw/zinc/36/53/18/634365318.db2.gz KYRVFWZHGLMNIB-CHWFTXMASA-N 2 0 211.353 0.700 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CC[NH2+]C1(C)C ZINC000925699265 634365867 /nfs/dbraw/zinc/36/58/67/634365867.db2.gz JTGIGXQTYQKVLY-VWYCJHECSA-N 2 0 211.353 0.715 20 0 BCADRP C1[NH2+][C@H]2[C@H](N[C@@H]3CCC[NH2+]CC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000925698920 634366233 /nfs/dbraw/zinc/36/62/33/634366233.db2.gz HWYLQRFSHQNBRE-BSCCGWMCSA-N 2 0 235.375 0.715 20 0 BCADRP CC(C)([NH3+])CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925699132 634367169 /nfs/dbraw/zinc/36/71/69/634367169.db2.gz NCNKQJIRDASZFI-MFDAYCCISA-N 2 0 209.337 0.310 20 0 BCADRP [NH3+][C@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)C12CCC2 ZINC000925700380 634368581 /nfs/dbraw/zinc/36/85/81/634368581.db2.gz SPMWBPALMDUQCX-GARJFASQSA-N 2 0 209.337 0.598 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC1=CC[NH2+]CC1 ZINC000925699976 634368811 /nfs/dbraw/zinc/36/88/11/634368811.db2.gz QTHSEVWPWKESRL-JQWIXIFHSA-N 2 0 209.337 0.636 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[NH2+]C1(C)C ZINC000925700048 634369289 /nfs/dbraw/zinc/36/92/89/634369289.db2.gz MYPSSSPGMLUOGZ-HBNTYKKESA-N 2 0 211.353 0.857 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NCC1=CC[NH2+]CC1 ZINC000925699975 634369412 /nfs/dbraw/zinc/36/94/12/634369412.db2.gz QTHSEVWPWKESRL-CMPLNLGQSA-N 2 0 209.337 0.636 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H](C)C[NH2+]C ZINC000236791721 635193257 /nfs/dbraw/zinc/19/32/57/635193257.db2.gz DBQRFILXMAHBFV-SECBINFHSA-N 2 0 215.341 0.476 20 0 BCADRP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980391717 635217977 /nfs/dbraw/zinc/21/79/77/635217977.db2.gz RUAFOWYGHYJGRD-VXGBXAGGSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000925779042 635268293 /nfs/dbraw/zinc/26/82/93/635268293.db2.gz LHTIXFHRMLTICK-YVECIDJPSA-N 3 0 241.379 0.613 20 0 BCADRP CO[C@H]1COCC[C@H]1[N@H+](C)CC1CC[NH2+]CC1 ZINC000310171013 635293199 /nfs/dbraw/zinc/29/31/99/635293199.db2.gz PRQIJQPBFCKZPZ-OLZOCXBDSA-N 2 0 242.363 0.722 20 0 BCADRP C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925785997 635303314 /nfs/dbraw/zinc/30/33/14/635303314.db2.gz MWINXCOFMZOOAK-FVCCEPFGSA-N 2 0 241.379 0.199 20 0 BCADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925786000 635303209 /nfs/dbraw/zinc/30/32/09/635303209.db2.gz MWINXCOFMZOOAK-MROQNXINSA-N 2 0 241.379 0.199 20 0 BCADRP CO[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925792937 635325136 /nfs/dbraw/zinc/32/51/36/635325136.db2.gz XCKISMFDRQGOOS-ZNSHCXBVSA-N 2 0 200.326 0.855 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000925798884 635340595 /nfs/dbraw/zinc/34/05/95/635340595.db2.gz XHETYROXZOKWPT-DDHJBXDOSA-N 3 0 211.353 0.701 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000054075650 635345471 /nfs/dbraw/zinc/34/54/71/635345471.db2.gz WGCQLCGSEGYCPY-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP CCC[C@H](O)CC[NH2+]C1CC[NH2+]CC1 ZINC000925860105 635553672 /nfs/dbraw/zinc/55/36/72/635553672.db2.gz UZACXTQXULZWSO-NSHDSACASA-N 2 0 200.326 0.879 20 0 BCADRP Cn1nnc2c1C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000925892848 635617984 /nfs/dbraw/zinc/61/79/84/635617984.db2.gz GMJBEVNFVFIIDS-GARJFASQSA-N 2 0 249.362 0.532 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CC[NH3+])C1 ZINC000237045370 635720591 /nfs/dbraw/zinc/72/05/91/635720591.db2.gz SVXNNHQYWNXMIJ-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250859993 635700877 /nfs/dbraw/zinc/70/08/77/635700877.db2.gz QBDMWNANMWVTSJ-UTUOFQBUSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H](C[NH2+][C@@H]1COC[C@H]1C)N1CC[NH+](C)CC1 ZINC000924965928 635812401 /nfs/dbraw/zinc/81/24/01/635812401.db2.gz QJJVZSNDJNONGH-FRRDWIJNSA-N 2 0 241.379 0.247 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000928440027 635935654 /nfs/dbraw/zinc/93/56/54/635935654.db2.gz ZAHAJDMUYVZXPK-MXWKQRLJSA-N 2 0 225.336 0.147 20 0 BCADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2COCO2)CC1(C)C ZINC000894891064 635999520 /nfs/dbraw/zinc/99/95/20/635999520.db2.gz XWBBJIXOWATRQS-MNOVXSKESA-N 2 0 228.336 0.822 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H](C)C[NH2+]1 ZINC000870912408 636383096 /nfs/dbraw/zinc/38/30/96/636383096.db2.gz FWOBVXZMLSNFFR-WRWGMCAJSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870934091 636383778 /nfs/dbraw/zinc/38/37/78/636383778.db2.gz FHWJZQYDAVWLMD-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870934092 636384191 /nfs/dbraw/zinc/38/41/91/636384191.db2.gz FHWJZQYDAVWLMD-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1[C@@H](NC(=O)N(C)CC[NH+](C)C)CC[N@@H+]1C ZINC000925324243 636868720 /nfs/dbraw/zinc/86/87/20/636868720.db2.gz BNZLDTPEBXFYCQ-QWRGUYRKSA-N 2 0 242.367 0.282 20 0 BCADRP CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC000989796982 636881031 /nfs/dbraw/zinc/88/10/31/636881031.db2.gz UPXWBVNECDUPDL-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(OC)CC2)C1 ZINC000323046338 636893520 /nfs/dbraw/zinc/89/35/20/636893520.db2.gz DZFIOWQGVVJJOF-LBPRGKRZSA-N 2 0 241.379 0.944 20 0 BCADRP CON1CCC([NH2+]C[C@@H](C)C[NH+](C)C)CC1 ZINC000323043463 636895097 /nfs/dbraw/zinc/89/50/97/636895097.db2.gz CUUHMNGFJFJCKF-LLVKDONJSA-N 2 0 229.368 0.800 20 0 BCADRP CON1CCC([NH2+]C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000323080765 636897738 /nfs/dbraw/zinc/89/77/38/636897738.db2.gz TZQKHMYKLCTZLE-GFCCVEGCSA-N 2 0 241.379 0.944 20 0 BCADRP C[C@@H](C[NH3+])n1cc([C@@H]2CCCC[NH2+]2)nn1 ZINC000899718035 637121046 /nfs/dbraw/zinc/12/10/46/637121046.db2.gz HBJHIQPEKHAQDA-IUCAKERBSA-N 2 0 209.297 0.612 20 0 BCADRP C[C@H](C[NH3+])n1cc([C@H]2CCCC[NH2+]2)nn1 ZINC000899718036 637122250 /nfs/dbraw/zinc/12/22/50/637122250.db2.gz HBJHIQPEKHAQDA-RKDXNWHRSA-N 2 0 209.297 0.612 20 0 BCADRP C[C@H](C[NH3+])n1cc([C@@H]2CCCC[NH2+]2)nn1 ZINC000899718033 637123239 /nfs/dbraw/zinc/12/32/39/637123239.db2.gz HBJHIQPEKHAQDA-BDAKNGLRSA-N 2 0 209.297 0.612 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000903461622 637362808 /nfs/dbraw/zinc/36/28/08/637362808.db2.gz WHFKYBWBHPLPQF-RHYQMDGZSA-N 2 0 211.353 0.654 20 0 BCADRP CC1(C)CN(C[C@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC000903551765 637372332 /nfs/dbraw/zinc/37/23/32/637372332.db2.gz YBDVPUFTYJRCSF-QWRGUYRKSA-N 2 0 211.353 0.655 20 0 BCADRP COCCC[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903726201 637378165 /nfs/dbraw/zinc/37/81/65/637378165.db2.gz KMPFCEJQRFIUOK-QWHCGFSZSA-N 2 0 242.363 0.723 20 0 BCADRP COCC[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722882 637378644 /nfs/dbraw/zinc/37/86/44/637378644.db2.gz FCKABJYDNAMZSL-NEPJUHHUSA-N 2 0 228.336 0.333 20 0 BCADRP [NH3+][C@H]1C[C@@H](CN2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000904429474 637397924 /nfs/dbraw/zinc/39/79/24/637397924.db2.gz ITBLWIOGOHPZJV-XQQFMLRXSA-N 2 0 223.364 0.942 20 0 BCADRP CCn1cnc2c1CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904433654 637400594 /nfs/dbraw/zinc/40/05/94/637400594.db2.gz OXSNTYKNBQOUJU-PHIMTYICSA-N 2 0 234.347 0.998 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC2(C)C)CC[NH2+]1 ZINC000904461393 637407215 /nfs/dbraw/zinc/40/72/15/637407215.db2.gz IXIXJAKCWSOUFG-IJLUTSLNSA-N 3 0 225.380 0.962 20 0 BCADRP CN(C)CC(N)=NOCCCc1cncn1C ZINC000904438238 637409026 /nfs/dbraw/zinc/40/90/26/637409026.db2.gz TYFYRTKIFFQLTR-UHFFFAOYSA-N 2 0 239.323 0.413 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000904926643 637530924 /nfs/dbraw/zinc/53/09/24/637530924.db2.gz WQEZGRFFMGSUFP-VXGBXAGGSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@@H](C[NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000905312898 637741076 /nfs/dbraw/zinc/74/10/76/637741076.db2.gz GGNZKFHBNPFXTC-QMMMGPOBSA-N 2 0 224.308 0.674 20 0 BCADRP C[NH2+]C[C@@H](C)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905318223 637744243 /nfs/dbraw/zinc/74/42/43/637744243.db2.gz NQDJRGSISNANTH-SECBINFHSA-N 2 0 238.335 0.935 20 0 BCADRP [NH3+]C[C@@H]1C[C@@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000905305159 637762022 /nfs/dbraw/zinc/76/20/22/637762022.db2.gz KJTBLPFAHSFBCM-YUMQZZPRSA-N 2 0 222.292 0.860 20 0 BCADRP C[NH2+]CCCCc1nc(C[C@@H](C)[NH2+]C)no1 ZINC000905305642 637764781 /nfs/dbraw/zinc/76/47/81/637764781.db2.gz WYBUGPOYEWZFDZ-SECBINFHSA-N 2 0 226.324 0.762 20 0 BCADRP [NH3+]C[C@@H]1C[C@@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000905309592 637765896 /nfs/dbraw/zinc/76/58/96/637765896.db2.gz ZBTBKQOLPMANFS-UWVGGRQHSA-N 2 0 236.319 0.674 20 0 BCADRP C[NH+](C)CCCNC(=S)NC[C@H]1CC[N@@H+]1C ZINC000905653899 637872824 /nfs/dbraw/zinc/87/28/24/637872824.db2.gz YJNVFTGSFYHWJE-SNVBAGLBSA-N 2 0 244.408 0.106 20 0 BCADRP C[N@H+](C[C@@H](O)CNC/C=C\Cl)C1CC1 ZINC000905707433 637890734 /nfs/dbraw/zinc/89/07/34/637890734.db2.gz JLMMIIFUGDVAPG-ODTOEKCJSA-N 2 0 218.728 0.784 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000906091521 638047496 /nfs/dbraw/zinc/04/74/96/638047496.db2.gz IMEJNBYVFHPDPJ-GARJFASQSA-N 2 0 227.352 0.556 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000906092247 638050489 /nfs/dbraw/zinc/05/04/89/638050489.db2.gz WNMHTWXDLAOTFN-HBNTYKKESA-N 2 0 227.352 0.474 20 0 BCADRP CN(C(=O)[C@@H]1CCC[NH2+]C1)c1cc(C[NH3+])ccn1 ZINC000906226506 638119059 /nfs/dbraw/zinc/11/90/59/638119059.db2.gz BTUJXQUKTYXMTH-LLVKDONJSA-N 2 0 248.330 0.503 20 0 BCADRP Cn1nnc2cc(C[NH2+][C@H]3C[C@H]([NH3+])C3)ccc21 ZINC000906508004 638178836 /nfs/dbraw/zinc/17/88/36/638178836.db2.gz GWTPVSURWYAJND-MGCOHNPYSA-N 2 0 231.303 0.548 20 0 BCADRP NC(=O)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1 ZINC000906508743 638182362 /nfs/dbraw/zinc/18/23/62/638182362.db2.gz XISADNLLWIXKIM-XYPYZODXSA-N 2 0 219.288 0.365 20 0 BCADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000906518452 638188408 /nfs/dbraw/zinc/18/84/08/638188408.db2.gz NYSCIABQKLHRHG-MGCOHNPYSA-N 3 0 237.372 0.973 20 0 BCADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC000908350596 638661943 /nfs/dbraw/zinc/66/19/43/638661943.db2.gz ZRBIDHMRCYRRSK-RYUDHWBXSA-N 2 0 249.358 0.245 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)CN(C)C)[C@H](C)C1 ZINC000910285899 639405068 /nfs/dbraw/zinc/40/50/68/639405068.db2.gz WUEWWILGMMPEMK-LLVKDONJSA-N 2 0 227.352 0.491 20 0 BCADRP CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000910473485 639464990 /nfs/dbraw/zinc/46/49/90/639464990.db2.gz GEWJVJUEFJHEKT-LLVKDONJSA-N 2 0 237.347 0.293 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])C(=O)N1CCC([NH3+])CC1 ZINC000911619920 639682308 /nfs/dbraw/zinc/68/23/08/639682308.db2.gz MIODVNHAIZWBAK-ZDUSSCGKSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911620053 639682619 /nfs/dbraw/zinc/68/26/19/639682619.db2.gz PAKMFVOTARARCR-NXEZZACHSA-N 2 0 236.319 0.538 20 0 BCADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)N1CCC([NH3+])CC1 ZINC000911619485 639683609 /nfs/dbraw/zinc/68/36/09/639683609.db2.gz IYONNGIUEHHUFW-MWLCHTKSSA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000911623797 639684681 /nfs/dbraw/zinc/68/46/81/639684681.db2.gz GOCBTPWMQSILEE-GFCCVEGCSA-N 2 0 239.363 0.809 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000911622853 639684967 /nfs/dbraw/zinc/68/49/67/639684967.db2.gz JBDVMTZAHWDHJL-MXWKQRLJSA-N 2 0 225.336 0.454 20 0 BCADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000911628279 639686783 /nfs/dbraw/zinc/68/67/83/639686783.db2.gz LMFKJGDGJIIKPZ-MWLCHTKSSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]CCNC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12 ZINC000911629606 639690497 /nfs/dbraw/zinc/69/04/97/639690497.db2.gz KESYKGHWAVJRBM-GARJFASQSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+]CCNC(=O)[C@@H](C[NH3+])C1CCCCCC1 ZINC000911630372 639691305 /nfs/dbraw/zinc/69/13/05/639691305.db2.gz VQSVCWSPDAERBU-NSHDSACASA-N 2 0 227.352 0.607 20 0 BCADRP C[NH2+]C1CC(C(=O)NCC2CC[NH2+]CC2)C1 ZINC000911671989 639696092 /nfs/dbraw/zinc/69/60/92/639696092.db2.gz HQDFDNGEMXAONF-UHFFFAOYSA-N 2 0 225.336 0.100 20 0 BCADRP O=C(NCC1CC[NH2+]CC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911671961 639696919 /nfs/dbraw/zinc/69/69/19/639696919.db2.gz GWRXJUFCVQPAOY-AAEUAGOBSA-N 2 0 237.347 0.102 20 0 BCADRP [NH3+]C1CC(CC(=O)NCC2([NH3+])CCCCC2)C1 ZINC000911646838 639698977 /nfs/dbraw/zinc/69/89/77/639698977.db2.gz CWLKYQRRIAMGGM-UHFFFAOYSA-N 2 0 239.363 0.892 20 0 BCADRP [NH3+]CCCNC(=O)C(F)(F)C1CC[NH2+]CC1 ZINC000911647691 639702414 /nfs/dbraw/zinc/70/24/14/639702414.db2.gz HNRYRMXSTMATPK-UHFFFAOYSA-N 2 0 235.278 0.086 20 0 BCADRP C[C@H]1[NH2+]CCn2c(C(=O)NCCC[NH3+])ccc21 ZINC000911647653 639702638 /nfs/dbraw/zinc/70/26/38/639702638.db2.gz GVIFWEBXJYNFSB-SECBINFHSA-N 2 0 236.319 0.231 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000911654934 639709950 /nfs/dbraw/zinc/70/99/50/639709950.db2.gz DFKFLDQQWPFLFW-VXGBXAGGSA-N 2 0 239.363 0.680 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C[C@H]([NH3+])CC(C)C)C1 ZINC000911654820 639710036 /nfs/dbraw/zinc/71/00/36/639710036.db2.gz CSWKXTRCLNDOMF-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+][C@H](C(=O)N1CC[C@@H]([NH3+])C1)C1CCCCCC1 ZINC000911652687 639710447 /nfs/dbraw/zinc/71/04/47/639710447.db2.gz WJTUXZPAEYRNAE-NEPJUHHUSA-N 2 0 239.363 0.844 20 0 BCADRP CC(C)(C[NH3+])CC(=O)NCC1CC[NH2+]CC1 ZINC000911672602 639711349 /nfs/dbraw/zinc/71/13/49/639711349.db2.gz NDSKUMOMZOSQAN-UHFFFAOYSA-N 2 0 227.352 0.477 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911674992 639715874 /nfs/dbraw/zinc/71/58/74/639715874.db2.gz ZGGXQDVMQGWLSU-NWDGAFQWSA-N 2 0 239.363 0.727 20 0 BCADRP CC[NH2+]CCCNC(=O)c1ccccc1C[NH3+] ZINC000911685038 639725432 /nfs/dbraw/zinc/72/54/32/639725432.db2.gz LWHIVKCSHLYAPD-UHFFFAOYSA-N 2 0 235.331 0.875 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911682295 639726200 /nfs/dbraw/zinc/72/62/00/639726200.db2.gz AHIVFUGCMPJTMN-ZDCRXTMVSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@@H]1[NH2+]CCn2c(C(=O)N[C@@H]3CC[NH2+]C3)ccc21 ZINC000911698789 639733665 /nfs/dbraw/zinc/73/36/65/639733665.db2.gz KMHBANUUEAEBPJ-VHSXEESVSA-N 2 0 248.330 0.244 20 0 BCADRP C[C@H]1[NH2+]CCn2c(C(=O)N[C@H]3CC[NH2+]C3)ccc21 ZINC000911698790 639733703 /nfs/dbraw/zinc/73/37/03/639733703.db2.gz KMHBANUUEAEBPJ-ZJUUUORDSA-N 2 0 248.330 0.244 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911673884 639735500 /nfs/dbraw/zinc/73/55/00/639735500.db2.gz YSBVETXDNRQXQM-WDEREUQCSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000911673883 639735850 /nfs/dbraw/zinc/73/58/50/639735850.db2.gz YSBVETXDNRQXQM-QWRGUYRKSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000911712428 639738100 /nfs/dbraw/zinc/73/81/00/639738100.db2.gz BADCDKDBPJANMT-VXGBXAGGSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000911713759 639739318 /nfs/dbraw/zinc/73/93/18/639739318.db2.gz KDQFKWAPWXXDJL-GRYCIOLGSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911713598 639739407 /nfs/dbraw/zinc/73/94/07/639739407.db2.gz JCKZRLLWVTWTLP-UTUOFQBUSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)(C[NH3+])CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911714602 639741632 /nfs/dbraw/zinc/74/16/32/639741632.db2.gz QZNPRQBJUUCREH-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]C1(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CCC1 ZINC000911719750 639743330 /nfs/dbraw/zinc/74/33/30/639743330.db2.gz OUDWGLZDTCQVAJ-WDEREUQCSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@H]1CCC[NH2+]C1 ZINC000911718194 639743521 /nfs/dbraw/zinc/74/35/21/639743521.db2.gz IPFNAUWQJMBDCK-UKKRHICBSA-N 2 0 225.336 0.086 20 0 BCADRP C[NH2+]CCCCC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000911721301 639745686 /nfs/dbraw/zinc/74/56/86/639745686.db2.gz VSVKUJOYITTWNY-NEPJUHHUSA-N 2 0 241.379 0.880 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N1CC[NH2+]C[C@H]1C ZINC000911723489 639749697 /nfs/dbraw/zinc/74/96/97/639749697.db2.gz DSVXFUDEXNEXIF-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+]C[C@H]1C ZINC000911725450 639751945 /nfs/dbraw/zinc/75/19/45/639751945.db2.gz UUOSCGQNCXCSDI-NEPJUHHUSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H]1C[C@H](C(=O)N2CC[NH2+]C[C@H]2C)CC[NH2+]1 ZINC000911725032 639752235 /nfs/dbraw/zinc/75/22/35/639752235.db2.gz POZNQIHPKRHCTG-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP [NH3+]Cc1ccccc1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911703422 639757227 /nfs/dbraw/zinc/75/72/27/639757227.db2.gz DMXBQGSGIKXESJ-LLVKDONJSA-N 2 0 247.342 0.875 20 0 BCADRP C[NH2+]C1CC(C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000911703682 639758600 /nfs/dbraw/zinc/75/86/00/639758600.db2.gz JODUSTUQKHFAGJ-WHXUTIOJSA-N 2 0 225.336 0.100 20 0 BCADRP C[NH+](C)C1(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000911703999 639758837 /nfs/dbraw/zinc/75/88/37/639758837.db2.gz NUGCIUDXEZMPMA-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000911708634 639759542 /nfs/dbraw/zinc/75/95/42/639759542.db2.gz XUIZCTWDTDSYOW-SDDRHHMPSA-N 2 0 241.379 0.947 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911707865 639760266 /nfs/dbraw/zinc/76/02/66/639760266.db2.gz RNLZCLBEAGAEST-SDDRHHMPSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)(C[NH3+])CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911707784 639760350 /nfs/dbraw/zinc/76/03/50/639760350.db2.gz QPGMGROMWJKBQP-SNVBAGLBSA-N 2 0 227.352 0.477 20 0 BCADRP [NH3+][C@@H]1C[C@H](C(=O)NC[C@@H]2CCC[NH2+]C2)[C@H]2C[C@H]21 ZINC000911707304 639760506 /nfs/dbraw/zinc/76/05/06/639760506.db2.gz LRVAYVLODFYQMS-CSYMLDBXSA-N 2 0 237.347 0.086 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911707608 639760910 /nfs/dbraw/zinc/76/09/10/639760910.db2.gz NYPLADNZZQPHLR-SRVKXCTJSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000911736791 639762065 /nfs/dbraw/zinc/76/20/65/639762065.db2.gz SZKPECYVHWQJGQ-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911736550 639762133 /nfs/dbraw/zinc/76/21/33/639762133.db2.gz LOQYBDMCIOXFHU-NNYUYHANSA-N 2 0 237.347 0.337 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C[C@@H]([NH3+])CC(C)C)C1 ZINC000911735815 639762941 /nfs/dbraw/zinc/76/29/41/639762941.db2.gz MPNJFIYNYYKVBA-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911735298 639763158 /nfs/dbraw/zinc/76/31/58/639763158.db2.gz IOLNSGBUFIDICZ-UTUOFQBUSA-N 2 0 239.363 0.442 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)C23CCC(CC2)[NH2+]3)C1 ZINC000911734625 639763027 /nfs/dbraw/zinc/76/30/27/639763027.db2.gz OYMKGYPGRVWCBL-BMQDGWLCSA-N 2 0 223.320 0.078 20 0 BCADRP C[C@@H](O)[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930461392 639763459 /nfs/dbraw/zinc/76/34/59/639763459.db2.gz VXCOWRSEHALIJF-VKYHIEHISA-N 2 0 242.363 0.285 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])C(=O)N1CC[C@H]([NH3+])C1 ZINC000911738110 639764019 /nfs/dbraw/zinc/76/40/19/639764019.db2.gz GPZJXGHVSVPXPQ-JQWIXIFHSA-N 2 0 227.352 0.557 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911737821 639765370 /nfs/dbraw/zinc/76/53/70/639765370.db2.gz ZJNBJSVTMNJBEL-WISYIIOYSA-N 2 0 237.347 0.052 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12 ZINC000911748026 639772848 /nfs/dbraw/zinc/77/28/48/639772848.db2.gz IAXKMAFWLPNVHO-QJPTWQEYSA-N 2 0 239.363 0.490 20 0 BCADRP C[NH2+]CCNC(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1 ZINC000911746879 639773742 /nfs/dbraw/zinc/77/37/42/639773742.db2.gz DBZARPZTYXCNQO-MQMHXKEQSA-N 2 0 247.342 0.381 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@@H]([NH3+])CCSC ZINC000911750186 639774570 /nfs/dbraw/zinc/77/45/70/639774570.db2.gz HPKJMIPKGYYSDR-VIFPVBQESA-N 2 0 233.381 0.183 20 0 BCADRP C[NH2+]CCNC(=O)CCCCC1CC[NH2+]CC1 ZINC000911749071 639775314 /nfs/dbraw/zinc/77/53/14/639775314.db2.gz WGEPRYNLWMZXEH-UHFFFAOYSA-N 2 0 241.379 0.882 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911751563 639779756 /nfs/dbraw/zinc/77/97/56/639779756.db2.gz MDZLPPVWHWGADO-GARJFASQSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000911753458 639781791 /nfs/dbraw/zinc/78/17/91/639781791.db2.gz CHNDOJAMXQULLK-WDEREUQCSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)C23CC(C2)C[NH2+]3)CC1 ZINC000911752800 639782053 /nfs/dbraw/zinc/78/20/53/639782053.db2.gz GTHLBVXFQDKTCW-TTXORMCVSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000911754275 639783708 /nfs/dbraw/zinc/78/37/08/639783708.db2.gz UCPDEAFLOQTEEI-SNVBAGLBSA-N 2 0 239.363 0.666 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]1)C1=CCC[NH2+]CC1 ZINC000911754088 639783892 /nfs/dbraw/zinc/78/38/92/639783892.db2.gz IEXPQMKTZYLWCM-LLVKDONJSA-N 2 0 223.320 0.164 20 0 BCADRP [NH3+][C@H](CNC(=O)C12CC(C1)C[NH2+]2)c1ccccc1 ZINC000911762310 639788457 /nfs/dbraw/zinc/78/84/57/639788457.db2.gz BYJYGLFUGJJDOC-KSGYAGIASA-N 2 0 245.326 0.555 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)c1conc1C[NH3+] ZINC000911763054 639789785 /nfs/dbraw/zinc/78/97/85/639789785.db2.gz GKNHBVYAISEHDA-UHFFFAOYSA-N 2 0 240.307 0.251 20 0 BCADRP C[NH2+]C1(C(=O)NCC[C@H]2CC[NH2+]C2)CCC1 ZINC000911765979 639790613 /nfs/dbraw/zinc/79/06/13/639790613.db2.gz CLVWKVCTFPCRBF-SNVBAGLBSA-N 2 0 225.336 0.244 20 0 BCADRP CC(C)(C[NH3+])NC(=O)CCSCCC[NH3+] ZINC000911763733 639790930 /nfs/dbraw/zinc/79/09/30/639790930.db2.gz IEOGCMXSWBEHDY-UHFFFAOYSA-N 2 0 233.381 0.312 20 0 BCADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911766571 639791298 /nfs/dbraw/zinc/79/12/98/639791298.db2.gz FSTCZTJGNLXFAQ-LOWVWBTDSA-N 2 0 237.347 0.244 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)NC(C)(C)C[NH3+] ZINC000911764929 639791746 /nfs/dbraw/zinc/79/17/46/639791746.db2.gz PSHWVSKGXRNJPE-SECBINFHSA-N 2 0 215.341 0.603 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911765548 639792219 /nfs/dbraw/zinc/79/22/19/639792219.db2.gz BTCRJQZGDHMFDV-GHMZBOCLSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)C2CC([NH2+]C)C2)C1 ZINC000911775420 639795975 /nfs/dbraw/zinc/79/59/75/639795975.db2.gz SRHXAPVORRQROZ-WHXUTIOJSA-N 2 0 225.336 0.052 20 0 BCADRP O=C(NCC[C@@H]1CC[NH2+]C1)C12CCC(CC1)[NH2+]2 ZINC000911774388 639796304 /nfs/dbraw/zinc/79/63/04/639796304.db2.gz HMSSYFCYBTVOCJ-ZBOXLXRLSA-N 2 0 237.347 0.387 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)C1 ZINC000911775683 639796648 /nfs/dbraw/zinc/79/66/48/639796648.db2.gz UDYBIXOPRYOQFL-MDZLAQPJSA-N 2 0 237.347 0.054 20 0 BCADRP C[NH2+]CC1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000911777268 639798723 /nfs/dbraw/zinc/79/87/23/639798723.db2.gz IOEWXJIAEGRNSO-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](Cc1c[nH]cn1)C(=O)NC(C)(C)C[NH3+] ZINC000911761811 639801229 /nfs/dbraw/zinc/80/12/29/639801229.db2.gz IMBOSBOELRQTMR-MRVPVSSYSA-N 2 0 224.308 0.442 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C(F)(F)C1CC[NH2+]CC1 ZINC000911813512 639801599 /nfs/dbraw/zinc/80/15/99/639801599.db2.gz OBSMFCJYIGTDRU-MRVPVSSYSA-N 2 0 249.305 0.427 20 0 BCADRP CC(C)(C[NH3+])NC(=O)c1ccc2c(n1)C[NH2+]CC2 ZINC000911762041 639802407 /nfs/dbraw/zinc/80/24/07/639802407.db2.gz JRTQNIAYSPUGKZ-UHFFFAOYSA-N 2 0 248.330 0.194 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CCC([NH2+]C)CC2)C1 ZINC000911786108 639803390 /nfs/dbraw/zinc/80/33/90/639803390.db2.gz DGLWEZJXNSZJDQ-UHFFFAOYSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911814934 639803901 /nfs/dbraw/zinc/80/39/01/639803901.db2.gz WJACWHRVAFZLJX-BDAKNGLRSA-N 2 0 215.341 0.556 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911786356 639803995 /nfs/dbraw/zinc/80/39/95/639803995.db2.gz AIFZQRGEVSZBDF-VXGBXAGGSA-N 2 0 239.363 0.680 20 0 BCADRP C[NH2+]C1CC(C(=O)N[C@H](C[NH3+])CC(C)C)C1 ZINC000911814569 639804149 /nfs/dbraw/zinc/80/41/49/639804149.db2.gz UELXFMDMOAULEV-ILDUYXDCSA-N 2 0 227.352 0.474 20 0 BCADRP CN(C(=O)C1=CCC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000911787743 639805255 /nfs/dbraw/zinc/80/52/55/639805255.db2.gz LIYLOPWQVDDSGX-LLVKDONJSA-N 2 0 223.320 0.117 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911790125 639807194 /nfs/dbraw/zinc/80/71/94/639807194.db2.gz ZVVKVSUEBFMAQZ-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@@H](CO)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000930560005 639811224 /nfs/dbraw/zinc/81/12/24/639811224.db2.gz XWWUXUOSXGOKEV-NWDGAFQWSA-N 2 0 212.337 0.785 20 0 BCADRP C[C@@H]1C[C@H](C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC000911797040 639819786 /nfs/dbraw/zinc/81/97/86/639819786.db2.gz QCKLXNSMSTZRJT-NOOOWODRSA-N 2 0 239.363 0.583 20 0 BCADRP [NH3+]CC1(NC(=O)C2=CCC[NH2+]CC2)CCCC1 ZINC000911799538 639820427 /nfs/dbraw/zinc/82/04/27/639820427.db2.gz GNERLLYCLOAGHN-UHFFFAOYSA-N 2 0 237.347 0.684 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911799013 639821295 /nfs/dbraw/zinc/82/12/95/639821295.db2.gz FLYZGTNJUHZUNE-MWLCHTKSSA-N 2 0 245.392 0.310 20 0 BCADRP [NH3+]CC1(NC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCCC1 ZINC000911801136 639822538 /nfs/dbraw/zinc/82/25/38/639822538.db2.gz ZTSRUSUIQCDSJB-VWYCJHECSA-N 2 0 237.347 0.230 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC1 ZINC000911801591 639823204 /nfs/dbraw/zinc/82/32/04/639823204.db2.gz DBIYEKQQNGYXSG-SBFPOUOMSA-N 2 0 237.347 0.371 20 0 BCADRP C[C@H]1CN(C(=O)c2ccccc2C[NH3+])CC[NH2+]1 ZINC000911801855 639824335 /nfs/dbraw/zinc/82/43/35/639824335.db2.gz GIHYHEVJSVSXJX-JTQLQIEISA-N 2 0 233.315 0.579 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21)C1CC1 ZINC000911803612 639825746 /nfs/dbraw/zinc/82/57/46/639825746.db2.gz VIGNFYCWNLIDDF-OOTJXSFTSA-N 2 0 237.347 0.213 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911803541 639826395 /nfs/dbraw/zinc/82/63/95/639826395.db2.gz SMGKJQBHQNGNHE-ZWNOBZJWSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000911808572 639829546 /nfs/dbraw/zinc/82/95/46/639829546.db2.gz FHAVDJMHTBGFNB-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000911819373 639835577 /nfs/dbraw/zinc/83/55/77/639835577.db2.gz CYFRGMMPIABYFF-USZNOCQGSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000911819468 639835844 /nfs/dbraw/zinc/83/58/44/639835844.db2.gz DMJYOZHMCQQABX-SDDRHHMPSA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000911819471 639835904 /nfs/dbraw/zinc/83/59/04/639835904.db2.gz DMJYOZHMCQQABX-TUAOUCFPSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@H]1CN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)CC[C@H]1[NH3+] ZINC000911821861 639836315 /nfs/dbraw/zinc/83/63/15/639836315.db2.gz VPVVIZZOMRGCGA-KQXIARHKSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC[C@@H]1[NH3+] ZINC000911824380 639837352 /nfs/dbraw/zinc/83/73/52/639837352.db2.gz NPIGHPBNVBTILF-WYUUTHIRSA-N 2 0 239.363 0.700 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])C1 ZINC000911825938 639837436 /nfs/dbraw/zinc/83/74/36/639837436.db2.gz PCOPPEHCRVPGOX-XKGSQUFQSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]1CCCN(C(=O)CC(C)(C)C[NH3+])[C@H]1C[NH3+] ZINC000911823422 639837756 /nfs/dbraw/zinc/83/77/56/639837756.db2.gz KSQQRMOPRZMHBC-QWRGUYRKSA-N 2 0 241.379 0.947 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000911824976 639837836 /nfs/dbraw/zinc/83/78/36/639837836.db2.gz FIWOIUBCPCVFQD-GARJFASQSA-N 2 0 229.368 0.849 20 0 BCADRP C[C@@H]1CN(C(=O)C23CCC(CC2)[NH2+]3)CC[C@@H]1[NH3+] ZINC000911827972 639840001 /nfs/dbraw/zinc/84/00/01/639840001.db2.gz YMQSCNOXNWYXLQ-JJOYANBFSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000911828303 639840502 /nfs/dbraw/zinc/84/05/02/639840502.db2.gz ZRACBEAQAZIKLN-NTZNESFSSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1CCCN(C(=O)CC2CC([NH3+])C2)[C@H]1C[NH3+] ZINC000911828232 639841012 /nfs/dbraw/zinc/84/10/12/639841012.db2.gz YUTHYIBFEZFKMF-XKGSQUFQSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911831063 639842438 /nfs/dbraw/zinc/84/24/38/639842438.db2.gz CBPOWVXRPGXOLG-BLFANLJRSA-N 2 0 239.363 0.332 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000911834306 639845116 /nfs/dbraw/zinc/84/51/16/639845116.db2.gz PLIDTMCPENYNCY-FBIMIBRVSA-N 2 0 225.336 0.086 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)CC1CC([NH3+])C1 ZINC000911834164 639845910 /nfs/dbraw/zinc/84/59/10/639845910.db2.gz JUEDOGPMNQRTAL-CBINBANVSA-N 2 0 227.352 0.603 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000911816564 639848612 /nfs/dbraw/zinc/84/86/12/639848612.db2.gz BVZZNIVBHRMSNA-QCNOEVLYSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[C@@H]1[NH3+] ZINC000911817019 639848771 /nfs/dbraw/zinc/84/87/71/639848771.db2.gz FORJZBKMUQUPDV-UWVGGRQHSA-N 2 0 225.336 0.276 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000911816565 639848969 /nfs/dbraw/zinc/84/89/69/639848969.db2.gz BVZZNIVBHRMSNA-USZNOCQGSA-N 2 0 241.379 0.946 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911866556 639851414 /nfs/dbraw/zinc/85/14/14/639851414.db2.gz CJZZQZKRJFHZCD-HBNTYKKESA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911868096 639852866 /nfs/dbraw/zinc/85/28/66/639852866.db2.gz LYIWCINDJNRASU-ZIQFBCGOSA-N 2 0 237.347 0.180 20 0 BCADRP CC(C)([NH3+])CNC(=O)c1ccc2c(n1)C[NH2+]CC2 ZINC000911844801 639854844 /nfs/dbraw/zinc/85/48/44/639854844.db2.gz CAGYTJXCFWXKTH-UHFFFAOYSA-N 2 0 248.330 0.194 20 0 BCADRP C[NH2+]C1CC(C(=O)N(C)CC[C@H]([NH3+])C(C)C)C1 ZINC000911872300 639855155 /nfs/dbraw/zinc/85/51/55/639855155.db2.gz XXGVWPFSCWDAFS-MCIGGMRASA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)NCC(C)(C)[NH3+] ZINC000911846710 639855970 /nfs/dbraw/zinc/85/59/70/639855970.db2.gz QLASXYQQAXGBST-VIFPVBQESA-N 2 0 215.341 0.603 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CC[NH2+]CC1(C)C ZINC000911847157 639856436 /nfs/dbraw/zinc/85/64/36/639856436.db2.gz KRKNLVQEIFRTAZ-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911852834 639860068 /nfs/dbraw/zinc/86/00/68/639860068.db2.gz SJVRWVCMGNTDIP-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2C[C@@H]2C[NH3+])cc1 ZINC000911856288 639860083 /nfs/dbraw/zinc/86/00/83/639860083.db2.gz OTQMJVMSEGKYQX-ZWKOPEQDSA-N 2 0 247.342 0.917 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911856771 639860518 /nfs/dbraw/zinc/86/05/18/639860518.db2.gz AIVZCELVDHKGKD-MFKMUULPSA-N 2 0 239.363 0.762 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C1CC([NH2+]C)C1 ZINC000911858495 639861651 /nfs/dbraw/zinc/86/16/51/639861651.db2.gz SCDHPIOZVUQRRS-UHFFFAOYSA-N 2 0 227.352 0.618 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911858510 639861812 /nfs/dbraw/zinc/86/18/12/639861812.db2.gz SPSRUEDHAKITTH-HBNTYKKESA-N 2 0 239.363 0.761 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911878485 639865157 /nfs/dbraw/zinc/86/51/57/639865157.db2.gz HHVUVBUAZOPRSP-WISYIIOYSA-N 2 0 239.363 0.476 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911880172 639867345 /nfs/dbraw/zinc/86/73/45/639867345.db2.gz SOSXQYATWAWWST-OPRDCNLKSA-N 2 0 213.325 0.215 20 0 BCADRP COC(=O)[C@@H](C)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931431858 640199803 /nfs/dbraw/zinc/19/98/03/640199803.db2.gz RATXVDXFFHBJJG-OUAUKWLOSA-N 2 0 226.320 0.431 20 0 BCADRP CC[C@H](CO)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931441447 640208796 /nfs/dbraw/zinc/20/87/96/640208796.db2.gz IOXUHLZJUHVLOF-QJPTWQEYSA-N 2 0 212.337 0.641 20 0 BCADRP C[NH+](C)CC1(O)CC[NH+](CC2(C)COC2)CC1 ZINC000931480031 640234826 /nfs/dbraw/zinc/23/48/26/640234826.db2.gz JWNIWRGOJTUYPG-UHFFFAOYSA-N 2 0 242.363 0.411 20 0 BCADRP CCNC(=O)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000151030919 640278212 /nfs/dbraw/zinc/27/82/12/640278212.db2.gz VAXGHPZMYSLDIQ-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cnn(C)n1 ZINC000924854912 640321180 /nfs/dbraw/zinc/32/11/80/640321180.db2.gz NXLDCBLVPOPALK-SNVBAGLBSA-N 2 0 225.340 0.808 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)NCCC[NH3+] ZINC000129504336 640345460 /nfs/dbraw/zinc/34/54/60/640345460.db2.gz GQHZFOIZMCSQDM-MRVPVSSYSA-N 2 0 201.314 0.215 20 0 BCADRP C[NH+]1CCC(C[NH2+]CC(=O)NCC2CC2)CC1 ZINC000044518387 640399211 /nfs/dbraw/zinc/39/92/11/640399211.db2.gz JLDXTRYNXNPYMG-UHFFFAOYSA-N 2 0 239.363 0.444 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000044649357 640445941 /nfs/dbraw/zinc/44/59/41/640445941.db2.gz UBONEIPZTRNNFV-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP CCC[NH+]1CCC(NC(=O)C[NH2+]CC)CC1 ZINC000044651310 640447376 /nfs/dbraw/zinc/44/73/76/640447376.db2.gz VGIGNMBUVSVDRF-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000044651173 640447722 /nfs/dbraw/zinc/44/77/22/640447722.db2.gz IWKFRNVTSGSZKB-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726752 640461164 /nfs/dbraw/zinc/46/11/64/640461164.db2.gz QAYUKVNNXZJMGM-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP CCCNC(=[NH2+])NCC1([NH+](C)C)CCC1 ZINC000165123808 640540860 /nfs/dbraw/zinc/54/08/60/640540860.db2.gz WCGFBFUCECZLOB-UHFFFAOYSA-N 2 0 212.341 0.995 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCCC[NH2+]C1CC1 ZINC000876939453 640588908 /nfs/dbraw/zinc/58/89/08/640588908.db2.gz ZGCZWSYNPXYGDV-WDEREUQCSA-N 2 0 239.363 0.618 20 0 BCADRP CC[N@H+](CCNC(=O)C[NH2+]CC1CC1)C1CC1 ZINC000167206883 640708314 /nfs/dbraw/zinc/70/83/14/640708314.db2.gz IYBPHNLUCWMSIT-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226330035 640747267 /nfs/dbraw/zinc/74/72/67/640747267.db2.gz QOSFJUPIPUAASI-QWRGUYRKSA-N 2 0 216.325 0.055 20 0 BCADRP C[NH+]1CCC[C@@H]1CN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933732841 640754731 /nfs/dbraw/zinc/75/47/31/640754731.db2.gz CRRGTAYDJKIIFP-MCIONIFRSA-N 2 0 237.391 0.964 20 0 BCADRP Cn1cc(CC[N@H+](C)CC(C)(C)C[NH3+])cn1 ZINC000226429247 640764302 /nfs/dbraw/zinc/76/43/02/640764302.db2.gz FECWVYYJSRDHRM-UHFFFAOYSA-N 2 0 224.352 0.879 20 0 BCADRP CC(C)[C@H](CCO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000227010876 640808646 /nfs/dbraw/zinc/80/86/46/640808646.db2.gz UBZWRZXEOATGBO-OLZOCXBDSA-N 2 0 244.379 0.440 20 0 BCADRP CC(C)[C@@H](CCO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000227010885 640809417 /nfs/dbraw/zinc/80/94/17/640809417.db2.gz UBZWRZXEOATGBO-QWHCGFSZSA-N 2 0 244.379 0.440 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C[C@@H]([NH3+])C2CC2)CC[N@@H+]1C ZINC000228541413 640879463 /nfs/dbraw/zinc/87/94/63/640879463.db2.gz KKQPPIOPTIUYRQ-YUSALJHKSA-N 2 0 239.363 0.713 20 0 BCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228548089 640880856 /nfs/dbraw/zinc/88/08/56/640880856.db2.gz RDVMLUUHVAXUSF-NNYUYHANSA-N 2 0 228.336 0.053 20 0 BCADRP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229258091 640940163 /nfs/dbraw/zinc/94/01/63/640940163.db2.gz SIAQTAXSOSOAFQ-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP C[N@H+](CCNC(=O)c1cccc(C[NH3+])c1)C1CC1 ZINC000061992427 641013960 /nfs/dbraw/zinc/01/39/60/641013960.db2.gz XNZZWWAYMIHFOZ-UHFFFAOYSA-N 2 0 247.342 0.969 20 0 BCADRP C[C@]1(C(=O)NCC[NH+]2CCCC2)CCC[NH2+]C1 ZINC000062853732 641098693 /nfs/dbraw/zinc/09/86/93/641098693.db2.gz RZJMGAASUQBELO-ZDUSSCGKSA-N 2 0 239.363 0.588 20 0 BCADRP C[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000062858082 641100481 /nfs/dbraw/zinc/10/04/81/641100481.db2.gz ZLBHXVKYBZPJQK-JQWIXIFHSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H](CNC(=O)[C@]1(C)CC[NH2+]C1)[NH+](C)C ZINC000062896965 641106020 /nfs/dbraw/zinc/10/60/20/641106020.db2.gz CSMBBSLHTTURCE-MWLCHTKSSA-N 2 0 213.325 0.052 20 0 BCADRP C[N@H+](CCOCCO)CC1CC[NH+](C)CC1 ZINC000063121333 641134943 /nfs/dbraw/zinc/13/49/43/641134943.db2.gz DHQNPJZUPUGZTR-UHFFFAOYSA-N 2 0 230.352 0.269 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307940714 641194497 /nfs/dbraw/zinc/19/44/97/641194497.db2.gz NHKYRKWJFFPSFR-YIZRAAEISA-N 2 0 240.269 0.969 20 0 BCADRP C[C@@H](CN(C)C)[NH2+]CC1CC[NH+](C)CC1 ZINC000130110427 641362457 /nfs/dbraw/zinc/36/24/57/641362457.db2.gz DGTQXHJVODSQEV-NSHDSACASA-N 2 0 213.369 0.868 20 0 BCADRP C[C@H](O)[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929697789 641404896 /nfs/dbraw/zinc/40/48/96/641404896.db2.gz VDFIXAATMBOGRJ-RWMBFGLXSA-N 2 0 242.363 0.146 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000151848485 641465160 /nfs/dbraw/zinc/46/51/60/641465160.db2.gz FRLWCCNQGGQXTD-LLVKDONJSA-N 2 0 231.315 0.192 20 0 BCADRP C[N@@H+]1CC[C@H]1CNC(=O)NC1CC[NH+](C)CC1 ZINC000913881487 641512101 /nfs/dbraw/zinc/51/21/01/641512101.db2.gz ZLMJEPHDBAVSFF-NSHDSACASA-N 2 0 240.351 0.084 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040457909 641531376 /nfs/dbraw/zinc/53/13/76/641531376.db2.gz DMOMUOPPGDSVEP-SNVBAGLBSA-N 2 0 229.368 0.818 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)[C@@H](C)O)C1 ZINC000929782576 641542376 /nfs/dbraw/zinc/54/23/76/641542376.db2.gz XFUZHJKVDAWVAQ-FRRDWIJNSA-N 2 0 244.379 0.392 20 0 BCADRP C[NH+](C)CCCCNC(=O)CCCCC[NH3+] ZINC000041679562 641545917 /nfs/dbraw/zinc/54/59/17/641545917.db2.gz PTTFRFYRARPUQF-UHFFFAOYSA-N 2 0 229.368 0.964 20 0 BCADRP CCCC[N@@H+](CC(N)=O)CC1CC[NH2+]CC1 ZINC000043497719 641566640 /nfs/dbraw/zinc/56/66/40/641566640.db2.gz UUDOZJHCXVSNLR-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)CCCCC[NH3+])C1CC1 ZINC000155477738 641572770 /nfs/dbraw/zinc/57/27/70/641572770.db2.gz ILALUJDTFBFVCX-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@H]1CCC[NH2+]1 ZINC000155545458 641575039 /nfs/dbraw/zinc/57/50/39/641575039.db2.gz PVHXCVCNWVHJOY-MNOVXSKESA-N 2 0 227.352 0.618 20 0 BCADRP CC[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000044300349 641592874 /nfs/dbraw/zinc/59/28/74/641592874.db2.gz AEUKDIXUHNOBAN-UHFFFAOYSA-N 2 0 225.336 0.339 20 0 BCADRP CC(C)COCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000158917127 641658384 /nfs/dbraw/zinc/65/83/84/641658384.db2.gz UKPRKDKDCJSWAR-NSHDSACASA-N 2 0 200.326 0.940 20 0 BCADRP CCOCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227768577 641738679 /nfs/dbraw/zinc/73/86/79/641738679.db2.gz VSEZSUJPWUXISU-QWRGUYRKSA-N 2 0 200.326 0.940 20 0 BCADRP CCN(CC[NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000627067135 641827053 /nfs/dbraw/zinc/82/70/53/641827053.db2.gz XTIDSZRWWQHYQT-UHFFFAOYSA-N 2 0 242.367 0.638 20 0 BCADRP CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015705125 641882275 /nfs/dbraw/zinc/88/22/75/641882275.db2.gz IEJCNUGJEOOMCS-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP CCCCOC(=O)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000916739625 641974028 /nfs/dbraw/zinc/97/40/28/641974028.db2.gz CNDUWMPTMIOVEL-VXGBXAGGSA-N 2 0 240.347 0.871 20 0 BCADRP CC(C)C[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001031384660 642049242 /nfs/dbraw/zinc/04/92/42/642049242.db2.gz IKUNYDRKZXXQGS-NSHDSACASA-N 2 0 239.363 0.395 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H](O)CO)[C@@H](C)C1 ZINC000930000855 642140058 /nfs/dbraw/zinc/14/00/58/642140058.db2.gz SCIZLDVEADZFJO-QJPTWQEYSA-N 2 0 230.352 0.002 20 0 BCADRP CNC(=O)CC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000154798964 642255930 /nfs/dbraw/zinc/25/59/30/642255930.db2.gz HHALYYKSXOGTPW-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP C[C@](C[NH3+])(NC(=O)C[C@H]1CCC[NH2+]1)C1CC1 ZINC000154956242 642327575 /nfs/dbraw/zinc/32/75/75/642327575.db2.gz FBIHDOGEMIVXHB-ZYHUDNBSSA-N 2 0 225.336 0.372 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000067674771 642357095 /nfs/dbraw/zinc/35/70/95/642357095.db2.gz OCNLEWMAWNPQOZ-LLVKDONJSA-N 2 0 225.336 0.150 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000130679373 642382379 /nfs/dbraw/zinc/38/23/79/642382379.db2.gz CZMAISHTFBMGQF-SDDRHHMPSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]CC1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000307941169 642485745 /nfs/dbraw/zinc/48/57/45/642485745.db2.gz ODAKHTPRKGMADU-VIFPVBQESA-N 2 0 240.269 0.970 20 0 BCADRP C[C@H]1CN(C(=O)CCCCCC[NH3+])CC[NH2+]1 ZINC000237618783 642726115 /nfs/dbraw/zinc/72/61/15/642726115.db2.gz HAJIBTWBOSHGFK-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCF)C1 ZINC000967926368 642805273 /nfs/dbraw/zinc/80/52/73/642805273.db2.gz UGIDXWDXBSHFLG-MNOVXSKESA-N 2 0 243.326 0.241 20 0 BCADRP CCOC[C@@H](O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000068949982 642815108 /nfs/dbraw/zinc/81/51/08/642815108.db2.gz IRXGQSJDHCBAIV-JQWIXIFHSA-N 2 0 230.352 0.443 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000968904350 642821614 /nfs/dbraw/zinc/82/16/14/642821614.db2.gz QBLKARMWQUJBRV-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010384173 642862221 /nfs/dbraw/zinc/86/22/21/642862221.db2.gz KPNNNSZZMBUWAM-NEPJUHHUSA-N 2 0 239.363 0.680 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@H](O)COC)CC[C@H]1[NH3+] ZINC000251572149 642881533 /nfs/dbraw/zinc/88/15/33/642881533.db2.gz BXYXYMQGJFHTTF-OUAUKWLOSA-N 2 0 216.325 0.053 20 0 BCADRP CCOC[C@@H](O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000069729952 642897937 /nfs/dbraw/zinc/89/79/37/642897937.db2.gz GEILQGNCSJHUBR-LBPRGKRZSA-N 2 0 230.352 0.445 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)[NH+](C)C ZINC000070254650 643001582 /nfs/dbraw/zinc/00/15/82/643001582.db2.gz QRJBOHHCFYKPKN-WDEREUQCSA-N 2 0 239.363 0.442 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001018962915 643016743 /nfs/dbraw/zinc/01/67/43/643016743.db2.gz QBLKARMWQUJBRV-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]C(C)C)C1)[NH+](C)C ZINC001019394909 643031436 /nfs/dbraw/zinc/03/14/36/643031436.db2.gz QHENUCFPZYDOFO-RYUDHWBXSA-N 2 0 241.379 0.926 20 0 BCADRP COC(OC)[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000070652915 643053695 /nfs/dbraw/zinc/05/36/95/643053695.db2.gz QYDCYSJWRDQLPL-SNVBAGLBSA-N 2 0 230.352 0.925 20 0 BCADRP C([NH2+][C@@H]1CCOC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000070967461 643088470 /nfs/dbraw/zinc/08/84/70/643088470.db2.gz PCWHBXFTWOPZJW-WDEREUQCSA-N 2 0 210.321 0.849 20 0 BCADRP CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001020589952 643223408 /nfs/dbraw/zinc/22/34/08/643223408.db2.gz IMWYFKIDEAGHCO-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000082241806 643280350 /nfs/dbraw/zinc/28/03/50/643280350.db2.gz CIBLYKQFBCMEGR-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032186591 643282360 /nfs/dbraw/zinc/28/23/60/643282360.db2.gz SMSVDORRQSLYLE-GFCCVEGCSA-N 2 0 239.363 0.395 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])CC1CC1 ZINC000306101650 643299968 /nfs/dbraw/zinc/29/99/68/643299968.db2.gz PSEBUEPLUOYZIP-LBPRGKRZSA-N 2 0 241.379 0.914 20 0 BCADRP CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001020929034 643341078 /nfs/dbraw/zinc/34/10/78/643341078.db2.gz STANTNKPTYXGFE-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NCCCCCC[NH3+] ZINC000843511359 643368326 /nfs/dbraw/zinc/36/83/26/643368326.db2.gz ABFXDRCSDCJOKT-UHFFFAOYSA-N 2 0 236.319 0.743 20 0 BCADRP C[NH2+]CCN(C)C(=O)CCC(C)(C)[NH3+] ZINC000069803299 643450862 /nfs/dbraw/zinc/45/08/62/643450862.db2.gz CBCHARVYGZUNDT-UHFFFAOYSA-N 2 0 201.314 0.182 20 0 BCADRP CC[C@H]1COCCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000234077519 643451906 /nfs/dbraw/zinc/45/19/06/643451906.db2.gz BMVKOADSVYRUAZ-WOPDTQHZSA-N 2 0 212.337 0.953 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCF)C2)C1 ZINC000970712033 643509416 /nfs/dbraw/zinc/50/94/16/643509416.db2.gz KGBXZQXTUFDMOM-GHMZBOCLSA-N 2 0 243.326 0.098 20 0 BCADRP CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998554581 643712540 /nfs/dbraw/zinc/71/25/40/643712540.db2.gz YYPNLTMOFCEKAS-HTAVTVPLSA-N 2 0 239.363 0.680 20 0 BCADRP CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998730863 643719248 /nfs/dbraw/zinc/71/92/48/643719248.db2.gz LDWIPRFEHBXQQK-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP COCC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000230201260 643767647 /nfs/dbraw/zinc/76/76/47/643767647.db2.gz UTRMNSBNZXJYCE-UPJWGTAASA-N 2 0 244.379 0.881 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)CNc1ccccn1 ZINC000922155980 643875022 /nfs/dbraw/zinc/87/50/22/643875022.db2.gz IPKLJEAIPMSIIC-LLVKDONJSA-N 2 0 248.330 0.704 20 0 BCADRP COC/C(C)=C\C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000929312527 644067568 /nfs/dbraw/zinc/06/75/68/644067568.db2.gz KKWTXGFESPKSCY-HUWORAJQSA-N 2 0 210.321 0.730 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000086404290 644130509 /nfs/dbraw/zinc/13/05/09/644130509.db2.gz YXGNRHHWMQORGS-GMTAPVOTSA-N 2 0 246.376 0.423 20 0 BCADRP OC[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000923004474 644227122 /nfs/dbraw/zinc/22/71/22/644227122.db2.gz FDZIICJRLYUAJT-CYDGBPFRSA-N 2 0 224.348 0.974 20 0 BCADRP C[NH2+][C@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000923284637 644309154 /nfs/dbraw/zinc/30/91/54/644309154.db2.gz QLZLDZLUANXQSJ-LBPRGKRZSA-N 2 0 211.353 0.812 20 0 BCADRP CCOCC[C@@H](O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000923283421 644309414 /nfs/dbraw/zinc/30/94/14/644309414.db2.gz BQXRGCGCWRRGGZ-WCQYABFASA-N 2 0 244.379 0.833 20 0 BCADRP CSC[C@H](O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000923284130 644309939 /nfs/dbraw/zinc/30/99/39/644309939.db2.gz HTTKDAGKQVIPHL-MWLCHTKSSA-N 2 0 232.393 0.770 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000923279427 644310740 /nfs/dbraw/zinc/31/07/40/644310740.db2.gz AQKBPISKKGCBNM-NXEZZACHSA-N 2 0 218.366 0.381 20 0 BCADRP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC[NH2+]CC1 ZINC000923279380 644311008 /nfs/dbraw/zinc/31/10/08/644311008.db2.gz MYNMGSYSEADUOL-LBPRGKRZSA-N 3 0 239.363 0.049 20 0 BCADRP CC(C)COC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923279855 644311248 /nfs/dbraw/zinc/31/12/48/644311248.db2.gz DQVNKGZDFGDJSJ-STQMWFEESA-N 2 0 244.379 0.691 20 0 BCADRP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC[NH2+]CC1 ZINC000923279379 644311313 /nfs/dbraw/zinc/31/13/13/644311313.db2.gz MYNMGSYSEADUOL-GFCCVEGCSA-N 3 0 239.363 0.049 20 0 BCADRP [NH3+]CC1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923278030 644311966 /nfs/dbraw/zinc/31/19/66/644311966.db2.gz WAGCLNSUBVBHLJ-GFCCVEGCSA-N 3 0 239.363 0.036 20 0 BCADRP CCOCC[C@@H](O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000923279154 644312299 /nfs/dbraw/zinc/31/22/99/644312299.db2.gz GNOQKNNOHPDTHS-GFCCVEGCSA-N 2 0 230.352 0.458 20 0 BCADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000923281783 644313963 /nfs/dbraw/zinc/31/39/63/644313963.db2.gz PPMAFFYJDWXUHF-NEPJUHHUSA-N 2 0 230.352 0.443 20 0 BCADRP CC(C)OCC[C@@H](O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000923281786 644316060 /nfs/dbraw/zinc/31/60/60/644316060.db2.gz PPMAFFYJDWXUHF-VXGBXAGGSA-N 2 0 230.352 0.443 20 0 BCADRP C[C@@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H](C)[NH2+]1 ZINC000923287533 644319893 /nfs/dbraw/zinc/31/98/93/644319893.db2.gz WBZMRFDPUHWEQH-TUAOUCFPSA-N 2 0 239.363 0.047 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000923287808 644321215 /nfs/dbraw/zinc/32/12/15/644321215.db2.gz GOSPJJPKHKBUIV-OUAUKWLOSA-N 2 0 232.393 0.770 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC[C@H]1[NH3+] ZINC000923289033 644323887 /nfs/dbraw/zinc/32/38/87/644323887.db2.gz CXVULIMBFJAEJP-GRYCIOLGSA-N 3 0 239.363 0.034 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923288386 644324423 /nfs/dbraw/zinc/32/44/23/644324423.db2.gz JJBRQVLXUPZPDT-SRVKXCTJSA-N 2 0 230.352 0.443 20 0 BCADRP CC(C)COC[C@@H](O)C[N@H+](C)CCC[NH3+] ZINC000923290264 644324433 /nfs/dbraw/zinc/32/44/33/644324433.db2.gz DPOCFVICNWTLNE-NSHDSACASA-N 2 0 218.341 0.301 20 0 BCADRP CC(C)OCC[C@H](O)C[N@H+](C)CCC[NH3+] ZINC000923290663 644325505 /nfs/dbraw/zinc/32/55/05/644325505.db2.gz IRZDOLJWHPGEJF-NSHDSACASA-N 2 0 218.341 0.443 20 0 BCADRP CSC[C@H](O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000923295339 644331420 /nfs/dbraw/zinc/33/14/20/644331420.db2.gz YANYDBIGUFZEFV-VQXHTEKXSA-N 2 0 232.393 0.912 20 0 BCADRP CC(C)OC[C@@H](O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000923295850 644331463 /nfs/dbraw/zinc/33/14/63/644331463.db2.gz IXMBYPQMININRO-NWDGAFQWSA-N 2 0 230.352 0.489 20 0 BCADRP CC(C)OC[C@@H](O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000923295851 644333032 /nfs/dbraw/zinc/33/30/32/644333032.db2.gz IXMBYPQMININRO-RYUDHWBXSA-N 2 0 230.352 0.489 20 0 BCADRP CC(C)C[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923300340 644334184 /nfs/dbraw/zinc/33/41/84/644334184.db2.gz FUDRZSVPOKDEPV-LLVKDONJSA-N 2 0 212.337 0.953 20 0 BCADRP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C[C@@H]1CCCO1 ZINC000923301256 644337301 /nfs/dbraw/zinc/33/73/01/644337301.db2.gz RVVCGKNUJBIHHL-NWDGAFQWSA-N 2 0 240.347 0.476 20 0 BCADRP C[N@H+](C[C@H]1CCCO1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923301258 644337380 /nfs/dbraw/zinc/33/73/80/644337380.db2.gz RVVCGKNUJBIHHL-VXGBXAGGSA-N 2 0 240.347 0.476 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@H](C)CO1 ZINC000923304010 644340798 /nfs/dbraw/zinc/34/07/98/644340798.db2.gz AZKYHCPHSSMWDR-IJLUTSLNSA-N 2 0 240.347 0.474 20 0 BCADRP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C[C@@H]1CCOC1 ZINC000923315735 644342960 /nfs/dbraw/zinc/34/29/60/644342960.db2.gz ZBSNNMLXIQOOCR-NWDGAFQWSA-N 2 0 240.347 0.333 20 0 BCADRP C[C@H](O)CC[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923317854 644343203 /nfs/dbraw/zinc/34/32/03/644343203.db2.gz WXUPQDCNZBDLFZ-WDEREUQCSA-N 2 0 228.336 0.068 20 0 BCADRP NC(=O)C[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923318302 644344198 /nfs/dbraw/zinc/34/41/98/644344198.db2.gz ZAYTWCBUTVNZML-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP CSC[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329310 644346079 /nfs/dbraw/zinc/34/60/79/644346079.db2.gz RQGJGTIQINBVBK-MBYGNEARSA-N 2 0 244.404 0.925 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000923328109 644346279 /nfs/dbraw/zinc/34/62/79/644346279.db2.gz KGMDMWMPEZVAGN-FRRDWIJNSA-N 2 0 242.363 0.458 20 0 BCADRP C[N@H+](CC1CCCC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923308633 644347328 /nfs/dbraw/zinc/34/73/28/644347328.db2.gz GQYPYLATIJMDNZ-SRVKXCTJSA-N 2 0 212.337 0.959 20 0 BCADRP C[N@H+](C[C@@H]1CCCOC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923311655 644347717 /nfs/dbraw/zinc/34/77/17/644347717.db2.gz RPWPVZZZFDJIKD-BJDJZHNGSA-N 2 0 228.336 0.195 20 0 BCADRP C[C@@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923309716 644347793 /nfs/dbraw/zinc/34/77/93/644347793.db2.gz ZIFLLCVQGCGBHJ-GHMZBOCLSA-N 2 0 210.321 0.707 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000923323491 644352284 /nfs/dbraw/zinc/35/22/84/644352284.db2.gz ZUIHCCIPXDDVNP-RNJOBUHISA-N 2 0 239.363 0.007 20 0 BCADRP C[NH+](C)CC1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923322543 644352875 /nfs/dbraw/zinc/35/28/75/644352875.db2.gz XRERUFSVKOYWSB-AVGNSLFASA-N 3 0 241.379 0.111 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000923332774 644353771 /nfs/dbraw/zinc/35/37/71/644353771.db2.gz NHRQUHHHSQAJLR-WUHRBBMRSA-N 2 0 242.363 0.443 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923333129 644353872 /nfs/dbraw/zinc/35/38/72/644353872.db2.gz UOGKWIUEGZCPHS-OPRDCNLKSA-N 2 0 218.366 0.379 20 0 BCADRP CSC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000923333738 644354172 /nfs/dbraw/zinc/35/41/72/644354172.db2.gz RYBKWALXXIDWSI-WHOHXGKFSA-N 2 0 244.404 0.770 20 0 BCADRP CSC[C@@H](O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000923333996 644354493 /nfs/dbraw/zinc/35/44/93/644354493.db2.gz FBOYKKGLOSSLFQ-MNOVXSKESA-N 2 0 232.393 0.784 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000923333087 644355456 /nfs/dbraw/zinc/35/54/56/644355456.db2.gz TXXSUZMVTSTHCC-TUAOUCFPSA-N 2 0 230.352 0.443 20 0 BCADRP CC[N@H+](C[C@H](O)COC)[C@H]1CCC[NH2+]CC1 ZINC000923336549 644357021 /nfs/dbraw/zinc/35/70/21/644357021.db2.gz UPAGZVHYKBUJSU-RYUDHWBXSA-N 2 0 230.352 0.458 20 0 BCADRP CSC[C@H](O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000923347276 644360133 /nfs/dbraw/zinc/36/01/33/644360133.db2.gz XERLMKSTTWQKDM-SECBINFHSA-N 2 0 218.366 0.524 20 0 BCADRP CCOCC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331674 644360572 /nfs/dbraw/zinc/36/05/72/644360572.db2.gz MSJMQMUFIRFRBC-CHWSQXEVSA-N 2 0 242.363 0.459 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923344305 644364580 /nfs/dbraw/zinc/36/45/80/644364580.db2.gz GPMFOIATDLMNHB-QJPTWQEYSA-N 2 0 239.363 0.047 20 0 BCADRP CC(C)OCC[C@@H](O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000923344532 644365023 /nfs/dbraw/zinc/36/50/23/644365023.db2.gz DDOPPSWOUPOERE-GFCCVEGCSA-N 2 0 244.379 0.976 20 0 BCADRP C[C@@H]1[NH2+]CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H]1C ZINC000923344310 644365340 /nfs/dbraw/zinc/36/53/40/644365340.db2.gz GPMFOIATDLMNHB-SRVKXCTJSA-N 2 0 239.363 0.047 20 0 BCADRP FC(F)[C@@H]1C[NH2+]CCN1CCC[NH2+]C1CC1 ZINC000923351504 644366310 /nfs/dbraw/zinc/36/63/10/644366310.db2.gz JBSPVIVCQIRVHB-JTQLQIEISA-N 2 0 233.306 0.667 20 0 BCADRP C(C[NH2+]C1CC1)CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923358246 644367475 /nfs/dbraw/zinc/36/74/75/644367475.db2.gz GHMVAVVWQRYRGH-DGCLKSJQSA-N 2 0 223.364 0.812 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923358500 644367564 /nfs/dbraw/zinc/36/75/64/644367564.db2.gz HSDYPYJKFWXABZ-MXWKQRLJSA-N 2 0 230.377 0.394 20 0 BCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923354251 644370465 /nfs/dbraw/zinc/37/04/65/644370465.db2.gz BAQUTOMSDNEPBH-OLZOCXBDSA-N 2 0 244.379 0.691 20 0 BCADRP CCOCC[C@@H](O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000923353989 644370532 /nfs/dbraw/zinc/37/05/32/644370532.db2.gz PHKFCGSEGGSLII-QWHCGFSZSA-N 2 0 244.379 0.977 20 0 BCADRP C[C@H](NC(C[NH3+])C[NH3+])c1c(F)cccc1F ZINC000923352612 644370601 /nfs/dbraw/zinc/37/06/01/644370601.db2.gz YHXGCZUTYIYJIH-ZETCQYMHSA-N 2 0 229.274 0.901 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000923352360 644370624 /nfs/dbraw/zinc/37/06/24/644370624.db2.gz DEHANCQVHGJALR-MNOVXSKESA-N 2 0 232.393 0.914 20 0 BCADRP COc1ccccc1CCCNC(C[NH3+])C[NH3+] ZINC000923353831 644370685 /nfs/dbraw/zinc/37/06/85/644370685.db2.gz BYJGFGSDFKDILG-UHFFFAOYSA-N 2 0 237.347 0.503 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923356609 644371717 /nfs/dbraw/zinc/37/17/17/644371717.db2.gz SZVDZSMATJKDIH-GFCCVEGCSA-N 2 0 230.352 0.710 20 0 BCADRP CC(C)c1cnc(CNC(C[NH3+])C[NH3+])o1 ZINC000923354522 644372188 /nfs/dbraw/zinc/37/21/88/644372188.db2.gz REKVJFPAUUQJKK-UHFFFAOYSA-N 2 0 212.297 0.174 20 0 BCADRP C(C[NH2+]C1CC1)CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000923364773 644375732 /nfs/dbraw/zinc/37/57/32/644375732.db2.gz REIPAMZMDIBTMP-BETUJISGSA-N 2 0 223.364 0.955 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923364223 644376375 /nfs/dbraw/zinc/37/63/75/644376375.db2.gz JXKLQNKVLCLTFP-RWMBFGLXSA-N 2 0 242.363 0.458 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923367162 644378165 /nfs/dbraw/zinc/37/81/65/644378165.db2.gz SXVQABRDZLSFTN-VXGBXAGGSA-N 2 0 244.404 0.786 20 0 BCADRP CC(C)CC[C@H](O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000923366155 644378747 /nfs/dbraw/zinc/37/87/47/644378747.db2.gz KDPOTGYNXNKENB-WDEREUQCSA-N 2 0 218.341 0.035 20 0 BCADRP CSC[C@@H](O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000923360134 644383891 /nfs/dbraw/zinc/38/38/91/644383891.db2.gz WKPUHMWCAHZRSD-UWVGGRQHSA-N 2 0 218.366 0.379 20 0 BCADRP COCC1(C)CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923372151 644384473 /nfs/dbraw/zinc/38/44/73/644384473.db2.gz XIXMORWEZBRMBQ-SRVKXCTJSA-N 2 0 242.363 0.586 20 0 BCADRP C[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923362231 644385793 /nfs/dbraw/zinc/38/57/93/644385793.db2.gz MINUVCUJQCGFRU-TUAOUCFPSA-N 2 0 212.337 0.689 20 0 BCADRP CCC[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000923375652 644388875 /nfs/dbraw/zinc/38/88/75/644388875.db2.gz OKSHGIBMPNIYMZ-LLVKDONJSA-N 2 0 223.324 0.784 20 0 BCADRP C[C@H](O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000923375004 644389717 /nfs/dbraw/zinc/38/97/17/644389717.db2.gz FXDNKLFOLZDTQK-CYZMBNFOSA-N 2 0 242.363 0.586 20 0 BCADRP CCOCC[C@H](O)C[N@H+](C)CCC[NH2+]C ZINC000923380028 644394498 /nfs/dbraw/zinc/39/44/98/644394498.db2.gz TXSRWQYMAKMZTR-NSHDSACASA-N 2 0 218.341 0.315 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@H](c3cccnc3)C2)C1 ZINC000923384081 644396791 /nfs/dbraw/zinc/39/67/91/644396791.db2.gz RYWQORJSDXUQMI-XUXIUFHCSA-N 2 0 247.342 0.722 20 0 BCADRP C(C[NH2+]C1CC1)CN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000923384783 644397206 /nfs/dbraw/zinc/39/72/06/644397206.db2.gz NBAGBPZDBAYFTA-OLZOCXBDSA-N 2 0 239.363 0.191 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923391890 644399648 /nfs/dbraw/zinc/39/96/48/644399648.db2.gz GHGPJMXBKYQURE-UTUOFQBUSA-N 3 0 239.363 0.177 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@]3(C2)CCCOC3)C1 ZINC000923395299 644400993 /nfs/dbraw/zinc/40/09/93/644400993.db2.gz RFEYBMOKVMVWEA-ZDEQEGDKSA-N 2 0 240.347 0.340 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000923393860 644401509 /nfs/dbraw/zinc/40/15/09/644401509.db2.gz ZMSPXTNQZKBTRV-IJLUTSLNSA-N 2 0 238.335 0.056 20 0 BCADRP OCC1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923393814 644402230 /nfs/dbraw/zinc/40/22/30/644402230.db2.gz YLJPYSRNIGPXRQ-LBPRGKRZSA-N 2 0 240.347 0.069 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000923392660 644409335 /nfs/dbraw/zinc/40/93/35/644409335.db2.gz KQEJUPRYHFFPDT-UTUOFQBUSA-N 2 0 230.352 0.586 20 0 BCADRP C(C[NH2+]C1CC1)CN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000923416433 644409500 /nfs/dbraw/zinc/40/95/00/644409500.db2.gz NNFGEGAJQXWSAG-CHWSQXEVSA-N 2 0 223.364 0.955 20 0 BCADRP OCC[NH2+][C@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000923407319 644409843 /nfs/dbraw/zinc/40/98/43/644409843.db2.gz WEUNUAIIWVEKNO-STQMWFEESA-N 2 0 241.379 0.032 20 0 BCADRP C[C@@H](O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000923411974 644413920 /nfs/dbraw/zinc/41/39/20/644413920.db2.gz VEHXCHLFIIZYMO-YPMHNXCESA-N 2 0 242.363 0.458 20 0 BCADRP CCOCCOCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923423743 644418791 /nfs/dbraw/zinc/41/87/91/644418791.db2.gz YTZFUGTYIWAYMQ-GHMZBOCLSA-N 2 0 230.352 0.755 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(F)CC2)C1 ZINC000923424290 644419395 /nfs/dbraw/zinc/41/93/95/644419395.db2.gz QIEHCOSPOIVAOP-GUBZILKMSA-N 2 0 202.273 0.271 20 0 BCADRP CCOCCOCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923423748 644419644 /nfs/dbraw/zinc/41/96/44/644419644.db2.gz YTZFUGTYIWAYMQ-WDEREUQCSA-N 2 0 230.352 0.755 20 0 BCADRP Cc1n[nH]cc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084220121 644420682 /nfs/dbraw/zinc/42/06/82/644420682.db2.gz YTSSRANTAIDLKW-MWLCHTKSSA-N 2 0 208.309 0.935 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2C[C@@H]3CSC[C@@H]3C2)C1 ZINC000923427447 644421043 /nfs/dbraw/zinc/42/10/43/644421043.db2.gz YVUSQQITMFCEGK-SSRBZLIGSA-N 2 0 228.361 0.132 20 0 BCADRP CCOCCOCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923429536 644421314 /nfs/dbraw/zinc/42/13/14/644421314.db2.gz WRQCEVGSWFYRJO-CHWSQXEVSA-N 2 0 244.379 0.956 20 0 BCADRP FC[C@@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923421449 644424658 /nfs/dbraw/zinc/42/46/58/644424658.db2.gz BWMYWTKPQUEQGX-QWRGUYRKSA-N 2 0 228.311 0.656 20 0 BCADRP CC1(C)CN(C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000923432315 644426236 /nfs/dbraw/zinc/42/62/36/644426236.db2.gz KOHRBHXBIQHBGM-WDEREUQCSA-N 2 0 239.363 0.034 20 0 BCADRP CC1(C)CN(C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1[NH3+] ZINC000923432314 644426838 /nfs/dbraw/zinc/42/68/38/644426838.db2.gz KOHRBHXBIQHBGM-QWRGUYRKSA-N 2 0 239.363 0.034 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1CCOCC[NH3+] ZINC000923435761 644427939 /nfs/dbraw/zinc/42/79/39/644427939.db2.gz JKMOCHBYFMKJMZ-VWYCJHECSA-N 2 0 215.341 0.032 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C[C@@H]1CC[NH2+]C1 ZINC000923436575 644427980 /nfs/dbraw/zinc/42/79/80/644427980.db2.gz PFEGOJBLLFTOCD-NNYUYHANSA-N 2 0 211.353 0.667 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000923436286 644428439 /nfs/dbraw/zinc/42/84/39/644428439.db2.gz OWUUTBHRMWBCNO-DGORSVRFSA-N 2 0 229.343 0.757 20 0 BCADRP Cc1cnccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459560 644440573 /nfs/dbraw/zinc/44/05/73/644440573.db2.gz DNOALMIBJREUNC-UHFFFAOYSA-N 2 0 234.347 0.385 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923454568 644443067 /nfs/dbraw/zinc/44/30/67/644443067.db2.gz SCCPHWYXLABZSX-GRYCIOLGSA-N 2 0 209.337 0.280 20 0 BCADRP Cc1csc(CN2CC[NH2+]CC[NH2+]CC2)n1 ZINC000923459999 644443965 /nfs/dbraw/zinc/44/39/65/644443965.db2.gz NSJPYCXFLQTVCH-UHFFFAOYSA-N 2 0 240.376 0.446 20 0 BCADRP CC(C)CC[C@@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923461526 644445217 /nfs/dbraw/zinc/44/52/17/644445217.db2.gz YFLWZZYJGHNXGR-CYBMUJFWSA-N 2 0 243.395 0.278 20 0 BCADRP [NH3+]CCCCCCC[N@@H+]1CCNCC[NH2+]CC1 ZINC000923462590 644445848 /nfs/dbraw/zinc/44/58/48/644445848.db2.gz LQPHKBFYMAWMDY-UHFFFAOYSA-N 3 0 242.411 0.390 20 0 BCADRP Cc1ccc(CN2CC[NH2+]CC[NH2+]CC2)nc1 ZINC000923460468 644446447 /nfs/dbraw/zinc/44/64/47/644446447.db2.gz SQJVDJBEBHTFJE-UHFFFAOYSA-N 2 0 234.347 0.385 20 0 BCADRP Cc1nc(CN2CC[NH2+]CC[NH2+]CC2)oc1C ZINC000923462258 644447175 /nfs/dbraw/zinc/44/71/75/644447175.db2.gz GYFSODSHDZEBCL-UHFFFAOYSA-N 2 0 238.335 0.286 20 0 BCADRP CCOC[C@H](O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000085869793 644451915 /nfs/dbraw/zinc/45/19/15/644451915.db2.gz QNESSSGSVFBFMD-HTAVTVPLSA-N 2 0 230.352 0.586 20 0 BCADRP CN1CCC[C@H]([N@@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000923480496 644458771 /nfs/dbraw/zinc/45/87/71/644458771.db2.gz HUDMPFDJRDJLRY-MNOVXSKESA-N 2 0 225.336 0.278 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923483853 644459859 /nfs/dbraw/zinc/45/98/59/644459859.db2.gz FYEJZYODQQNMOZ-LLVKDONJSA-N 2 0 227.352 0.526 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](CCOCC(F)F)C1 ZINC000923483185 644460220 /nfs/dbraw/zinc/46/02/20/644460220.db2.gz NEUGWNJHKBMFHU-VIFPVBQESA-N 2 0 222.279 0.939 20 0 BCADRP Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](CC[NH3+])C2)[nH]1 ZINC000923480594 644460523 /nfs/dbraw/zinc/46/05/23/644460523.db2.gz JNYGTTAVJSGOBN-WCBMZHEXSA-N 2 0 223.324 0.845 20 0 BCADRP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)CC[C@H]1C[NH3+] ZINC000923495134 644461115 /nfs/dbraw/zinc/46/11/15/644461115.db2.gz UECQSOLWSXOWDZ-WOPDTQHZSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cc[nH]n2)CC[C@@H]1C[NH3+] ZINC000923491498 644466818 /nfs/dbraw/zinc/46/68/18/644466818.db2.gz SMZBHZBEVRVGIC-NXEZZACHSA-N 2 0 208.309 0.826 20 0 BCADRP C[C@H]1C[N@H+](CCc2cncn2C)CC[C@H]1C[NH3+] ZINC000923491539 644467246 /nfs/dbraw/zinc/46/72/46/644467246.db2.gz SQUZYMMGRMRLDD-RYUDHWBXSA-N 2 0 236.363 0.879 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ccnn2C)CC[C@@H]1C[NH3+] ZINC000923491438 644468333 /nfs/dbraw/zinc/46/83/33/644468333.db2.gz RWYPOZOWDSNGIU-GHMZBOCLSA-N 2 0 222.336 0.837 20 0 BCADRP COC(=O)CC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923493157 644468693 /nfs/dbraw/zinc/46/86/93/644468693.db2.gz DWFFJVLMIJHDLW-ZJUUUORDSA-N 2 0 214.309 0.466 20 0 BCADRP CCOC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923497082 644470365 /nfs/dbraw/zinc/47/03/65/644470365.db2.gz KTRJQPKCMWMCKF-UWVGGRQHSA-N 2 0 214.309 0.466 20 0 BCADRP Cn1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1=O ZINC000923494334 644470386 /nfs/dbraw/zinc/47/03/86/644470386.db2.gz WUZDOHAIOPJJPE-LLVKDONJSA-N 2 0 235.331 0.556 20 0 BCADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC000923499733 644472215 /nfs/dbraw/zinc/47/22/15/644472215.db2.gz LSWZLNDVKHNLGU-WCQYABFASA-N 3 0 225.380 0.903 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cnn(C)c2)CC[C@H]1C[NH3+] ZINC000923498976 644474015 /nfs/dbraw/zinc/47/40/15/644474015.db2.gz JMKGHRBRNUOVJR-PWSUYJOCSA-N 2 0 222.336 0.837 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2C[C@]23CCOC3)C[C@H]1[NH3+] ZINC000923507371 644476157 /nfs/dbraw/zinc/47/61/57/644476157.db2.gz BTFCQHUGECWZMX-KKOKHZNYSA-N 2 0 210.321 0.692 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2C[C@]23CCOC3)C[C@H]1C[NH3+] ZINC000923515503 644480951 /nfs/dbraw/zinc/48/09/51/644480951.db2.gz XBXHDDWOULTSLG-LPWJVIDDSA-N 2 0 224.348 0.940 20 0 BCADRP C[C@H]1OCC[C@@H]1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923515324 644481077 /nfs/dbraw/zinc/48/10/77/644481077.db2.gz QMBRGXJYFHNQBJ-DDHJBXDOSA-N 2 0 212.337 0.938 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000087222026 644483354 /nfs/dbraw/zinc/48/33/54/644483354.db2.gz YXLIZSYBNHUXGL-WDEREUQCSA-N 2 0 225.336 0.326 20 0 BCADRP CCO[C@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923531448 644486930 /nfs/dbraw/zinc/48/69/30/644486930.db2.gz QHJHMUJJLNWYPL-NWDGAFQWSA-N 2 0 240.347 0.476 20 0 BCADRP C([C@H]1C[NH2+]CCO1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534811 644487035 /nfs/dbraw/zinc/48/70/35/644487035.db2.gz XWVQLDBLSYOYBE-CHWSQXEVSA-N 2 0 239.363 0.193 20 0 BCADRP CC(C)C[C@H]1CN(C)CC[N@@H+]1CCOCC[NH3+] ZINC000923556346 644500083 /nfs/dbraw/zinc/50/00/83/644500083.db2.gz WFYLPOOBMUQHFP-ZDUSSCGKSA-N 2 0 243.395 0.624 20 0 BCADRP O=C(C[C@@H]1CC[NH2+]C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000089747481 644564145 /nfs/dbraw/zinc/56/41/45/644564145.db2.gz ZBYAEIIPXFZMDY-QWRGUYRKSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000092135032 644647571 /nfs/dbraw/zinc/64/75/71/644647571.db2.gz LYRBSFKEDCZKFI-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCOCCO ZINC000093514074 644694600 /nfs/dbraw/zinc/69/46/00/644694600.db2.gz VLRKYZKPGBKTLP-CHWSQXEVSA-N 2 0 244.379 0.896 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000094749315 644724515 /nfs/dbraw/zinc/72/45/15/644724515.db2.gz FONLWWQDZCVTMT-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000957657055 644746947 /nfs/dbraw/zinc/74/69/47/644746947.db2.gz VNICQKJEZRIOMZ-GFCCVEGCSA-N 2 0 239.363 0.492 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000250465312 644760141 /nfs/dbraw/zinc/76/01/41/644760141.db2.gz BEJWFVPVESHPKU-NWDGAFQWSA-N 2 0 230.352 0.587 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC000250682148 644776638 /nfs/dbraw/zinc/77/66/38/644776638.db2.gz YXGNRHHWMQORGS-VWYCJHECSA-N 2 0 246.376 0.423 20 0 BCADRP C[C@@H]1C[N@H+](CCn2cccn2)CC[C@H]1C[NH3+] ZINC000251730939 644818929 /nfs/dbraw/zinc/81/89/29/644818929.db2.gz KHNUPTLSQLOMSO-NEPJUHHUSA-N 2 0 222.336 0.800 20 0 BCADRP CC(C)NC(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252668106 644875451 /nfs/dbraw/zinc/87/54/51/644875451.db2.gz RSNXHFVXUAIZOL-WDEREUQCSA-N 2 0 240.351 0.372 20 0 BCADRP CCOC[C@@H](O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000252684567 644878780 /nfs/dbraw/zinc/87/87/80/644878780.db2.gz GPMVTTRRCKMRML-RYUDHWBXSA-N 2 0 232.368 0.689 20 0 BCADRP COC[C@@H](O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000252691864 644880618 /nfs/dbraw/zinc/88/06/18/644880618.db2.gz ZGFRSMCEMZGGEI-QWRGUYRKSA-N 2 0 218.341 0.299 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000304305650 644889240 /nfs/dbraw/zinc/88/92/40/644889240.db2.gz BXIVRLMLGRBAIS-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000304414948 644905305 /nfs/dbraw/zinc/90/53/05/644905305.db2.gz YTWDGVGTCLHRAG-GHMZBOCLSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCOC3=O)C[C@H]21 ZINC000252841269 644913214 /nfs/dbraw/zinc/91/32/14/644913214.db2.gz BYXUVDIVVTWQJG-DBIOUOCHSA-N 2 0 224.304 0.361 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252859044 644917252 /nfs/dbraw/zinc/91/72/52/644917252.db2.gz MFYGTWGYBQNFQJ-RNJOBUHISA-N 2 0 242.363 0.443 20 0 BCADRP C[C@H](CNC1=[NH+]C[C@@H](C)N1)C[NH+]1CCCC1 ZINC000304636121 644923465 /nfs/dbraw/zinc/92/34/65/644923465.db2.gz ZZVMSLQJMUXLDP-GHMZBOCLSA-N 2 0 224.352 0.656 20 0 BCADRP CN(C(=O)C[C@H]([NH3+])C1CC1)C1CC[NH2+]CC1 ZINC000832388327 645134918 /nfs/dbraw/zinc/13/49/18/645134918.db2.gz KURKBFQMTDJXAP-NSHDSACASA-N 2 0 225.336 0.324 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000841855873 645230790 /nfs/dbraw/zinc/23/07/90/645230790.db2.gz JFSBNNFIHLABPU-ZJUUUORDSA-N 2 0 225.336 0.371 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@H]1O ZINC000926564410 645285737 /nfs/dbraw/zinc/28/57/37/645285737.db2.gz RMTVFQODZOXKII-CEHFSTBQSA-N 2 0 224.348 0.830 20 0 BCADRP [NH3+][C@@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC000843506566 645292824 /nfs/dbraw/zinc/29/28/24/645292824.db2.gz MXVDDVMTLUROKO-OUAUKWLOSA-N 2 0 225.336 0.500 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000844187355 645315822 /nfs/dbraw/zinc/31/58/22/645315822.db2.gz GISIFHMDLBRPSI-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP CC[NH2+]CC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000844188475 645316512 /nfs/dbraw/zinc/31/65/12/645316512.db2.gz UMSGIQHJFLRHTQ-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000844185700 645316924 /nfs/dbraw/zinc/31/69/24/645316924.db2.gz PCPZDRYODWHEAH-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000844188676 645317023 /nfs/dbraw/zinc/31/70/23/645317023.db2.gz XSSSXSMPTLDNSP-PWSUYJOCSA-N 2 0 243.326 0.146 20 0 BCADRP CC[NH2+]CC(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000844187703 645317214 /nfs/dbraw/zinc/31/72/14/645317214.db2.gz OEFVMZANOYRPLB-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@@H]1COC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926665532 645344404 /nfs/dbraw/zinc/34/44/04/645344404.db2.gz GQJZAVMSRNUYCT-WISYIIOYSA-N 2 0 212.337 0.951 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CC(O)C1 ZINC000926768869 645414535 /nfs/dbraw/zinc/41/45/35/645414535.db2.gz FGIUZEPBBXSZNC-FMNWTUGISA-N 2 0 224.348 0.687 20 0 BCADRP C[N@@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925488696 645520479 /nfs/dbraw/zinc/52/04/79/645520479.db2.gz VFKPCRZOIHPIDY-VXGBXAGGSA-N 2 0 223.364 0.955 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)[NH+](C)C ZINC000928425118 645740656 /nfs/dbraw/zinc/74/06/56/645740656.db2.gz HBSOCWRSQABMFL-HBNTYKKESA-N 2 0 227.352 0.535 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000928428233 645744451 /nfs/dbraw/zinc/74/44/51/645744451.db2.gz VUVVBODZGLHZGS-PWSUYJOCSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC[N@@H+]1C ZINC000928430497 645748221 /nfs/dbraw/zinc/74/82/21/645748221.db2.gz XTVHPTWWEXUBIV-LNFKQOIKSA-N 2 0 248.330 0.722 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000928436444 645759315 /nfs/dbraw/zinc/75/93/15/645759315.db2.gz GCJIPUCYEWADAZ-UTUOFQBUSA-N 2 0 241.379 0.781 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000928448036 645773548 /nfs/dbraw/zinc/77/35/48/645773548.db2.gz MPPCBGIDHMGUFN-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928453713 645775524 /nfs/dbraw/zinc/77/55/24/645775524.db2.gz YQPZSIXBPWANFY-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H](C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[NH+](C)C ZINC000877370488 645794802 /nfs/dbraw/zinc/79/48/02/645794802.db2.gz BWYUWTHJMXDZDO-JFGNBEQYSA-N 2 0 225.336 0.004 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000884270567 645873294 /nfs/dbraw/zinc/87/32/94/645873294.db2.gz OKZVJWMHUFFEGM-UTUOFQBUSA-N 2 0 241.379 0.735 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000884369641 645874252 /nfs/dbraw/zinc/87/42/52/645874252.db2.gz LAEQUMZSSVQUEX-GMTAPVOTSA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000884369642 645874471 /nfs/dbraw/zinc/87/44/71/645874471.db2.gz LAEQUMZSSVQUEX-HBNTYKKESA-N 2 0 239.363 0.618 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000929313335 646074481 /nfs/dbraw/zinc/07/44/81/646074481.db2.gz VLYCMXMWRVIFLJ-FIQHERPVSA-N 2 0 238.331 0.337 20 0 BCADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cnn(C)n1 ZINC000924963534 646144030 /nfs/dbraw/zinc/14/40/30/646144030.db2.gz KOMKIVHYOGLUMZ-SNVBAGLBSA-N 2 0 237.351 0.808 20 0 BCADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1COC[C@H]1C ZINC000925240376 646218534 /nfs/dbraw/zinc/21/85/34/646218534.db2.gz JKWPWCXWIJNPKZ-UPJWGTAASA-N 2 0 244.379 0.968 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1COCCO1 ZINC000925486735 646297888 /nfs/dbraw/zinc/29/78/88/646297888.db2.gz UKTMHSJFALNKRE-SZQBSXBZSA-N 2 0 240.347 0.507 20 0 BCADRP CC[NH+]1CCC(C[NH2+][C@H]2CNCCOC2)CC1 ZINC000925489048 646300496 /nfs/dbraw/zinc/30/04/96/646300496.db2.gz XDALTQKGTRPEDI-ZDUSSCGKSA-N 2 0 241.379 0.296 20 0 BCADRP CC(C)OCCC[NH2+][C@@H]1CNCCOC1 ZINC000925508151 646308398 /nfs/dbraw/zinc/30/83/98/646308398.db2.gz YXCMCTYNZXOMRO-LLVKDONJSA-N 2 0 216.325 0.380 20 0 BCADRP COCCC[N@H+](C)CCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925519622 646312298 /nfs/dbraw/zinc/31/22/98/646312298.db2.gz VAMFDMJGXCDPSA-CHWSQXEVSA-N 2 0 243.395 0.685 20 0 BCADRP C[C@@H]1C[C@H](N[C@H]2C[NH2+]CCOC2)C[N@@H+]1C1CC1 ZINC000925543598 646324366 /nfs/dbraw/zinc/32/43/66/646324366.db2.gz VNFLTJAEJNHVBV-WOPDTQHZSA-N 2 0 239.363 0.190 20 0 BCADRP C[C@H](CCCO)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925548653 646326850 /nfs/dbraw/zinc/32/68/50/646326850.db2.gz HJJWQEKUOQMHHG-NXEZZACHSA-N 2 0 200.326 0.878 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925553480 646329155 /nfs/dbraw/zinc/32/91/55/646329155.db2.gz SLKNMBNEYVNIBL-NQBHXWOUSA-N 2 0 239.363 0.047 20 0 BCADRP c1cnc(NCCN[C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000925556729 646333257 /nfs/dbraw/zinc/33/32/57/646333257.db2.gz MHOVDXUGKPCVIQ-LLVKDONJSA-N 2 0 247.346 0.763 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925574505 646341333 /nfs/dbraw/zinc/34/13/33/646341333.db2.gz RKKJXNIOCPCPEN-CHWSQXEVSA-N 2 0 241.379 0.439 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCn2cncn2)C1 ZINC000925591022 646348390 /nfs/dbraw/zinc/34/83/90/646348390.db2.gz XOFFBMFYVWUVRV-GHMZBOCLSA-N 2 0 237.351 0.774 20 0 BCADRP CC1(C)[C@@H]([NH2+]CCn2cncn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925589741 646348627 /nfs/dbraw/zinc/34/86/27/646348627.db2.gz JPGNQUKFPWHSGW-WOPDTQHZSA-N 2 0 249.362 0.644 20 0 BCADRP CC(C)(C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(N)=O ZINC000925602626 646352922 /nfs/dbraw/zinc/35/29/22/646352922.db2.gz VBIYZNYQVAQEOE-ZJUUUORDSA-N 2 0 241.379 0.994 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000925611161 646360662 /nfs/dbraw/zinc/36/06/62/646360662.db2.gz AWXCLTWLZDGYQJ-RYUDHWBXSA-N 2 0 241.379 0.173 20 0 BCADRP C[C@H](O)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925609740 646360928 /nfs/dbraw/zinc/36/09/28/646360928.db2.gz CZUCTKDCFZEYDY-VLEAKVRGSA-N 2 0 212.337 0.733 20 0 BCADRP C[C@@H](CN[C@H]1C[NH2+]CCOC1)[NH+]1CCCCC1 ZINC000925613872 646362248 /nfs/dbraw/zinc/36/22/48/646362248.db2.gz UFXXNAYYLHYWOQ-STQMWFEESA-N 2 0 241.379 0.439 20 0 BCADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925618789 646365829 /nfs/dbraw/zinc/36/58/29/646365829.db2.gz JSAAYNJZFVMPEB-JHJVBQTASA-N 2 0 241.379 0.293 20 0 BCADRP C[C@@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925628964 646374158 /nfs/dbraw/zinc/37/41/58/646374158.db2.gz IFIQYFAIUYBFHG-KXUCPTDWSA-N 2 0 200.326 0.863 20 0 BCADRP OCCOCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925631267 646376607 /nfs/dbraw/zinc/37/66/07/646376607.db2.gz GSYKDKYIYQLIIP-NSHDSACASA-N 2 0 228.336 0.260 20 0 BCADRP C[NH+](C)C1(CN[C@@H]2C[NH2+]CCOC2)CCC1 ZINC000925644866 646385286 /nfs/dbraw/zinc/38/52/86/646385286.db2.gz MEBBUTFCXCCOKB-LLVKDONJSA-N 2 0 227.352 0.049 20 0 BCADRP COCC[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925655678 646394686 /nfs/dbraw/zinc/39/46/86/646394686.db2.gz UOLRNOMQJMWLTJ-TUAOUCFPSA-N 2 0 244.379 0.879 20 0 BCADRP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2O)C12CCC2 ZINC000925689891 646416800 /nfs/dbraw/zinc/41/68/00/646416800.db2.gz DBWQEAADGDWGEZ-CHWFTXMASA-N 2 0 210.321 0.759 20 0 BCADRP C1[NH2+]CC1N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925689541 646416965 /nfs/dbraw/zinc/41/69/65/646416965.db2.gz BMLBMBBCZYFPAZ-OLZOCXBDSA-N 2 0 223.364 0.716 20 0 BCADRP CC1(C)[C@H](NC2C[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925690067 646417316 /nfs/dbraw/zinc/41/73/16/646417316.db2.gz DNJIFKCZQPDMBH-OUAUKWLOSA-N 2 0 209.337 0.324 20 0 BCADRP CC1(C)[C@H](N[C@@H]2CC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925695122 646420681 /nfs/dbraw/zinc/42/06/81/646420681.db2.gz WMMSALHRHPBXIQ-WISYIIOYSA-N 2 0 223.364 0.715 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC[C@H]1CCCC[NH2+]1 ZINC000925695789 646421354 /nfs/dbraw/zinc/42/13/54/646421354.db2.gz XMJATPPVPYSQIS-GHMZBOCLSA-N 2 0 211.353 0.859 20 0 BCADRP [NH3+][C@@H](CN[C@@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000925696873 646422277 /nfs/dbraw/zinc/42/22/77/646422277.db2.gz BRLQILROSSRIKX-NWDGAFQWSA-N 2 0 223.364 0.988 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCC[NH2+][C@@H]1C ZINC000925699623 646423299 /nfs/dbraw/zinc/42/32/99/646423299.db2.gz LHICHHFBLVZZNZ-WISYIIOYSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925699590 646423392 /nfs/dbraw/zinc/42/33/92/646423392.db2.gz KVZUFQGZNGGLMO-VWBGDHHKSA-N 2 0 235.375 0.570 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925699589 646423460 /nfs/dbraw/zinc/42/34/60/646423460.db2.gz KVZUFQGZNGGLMO-VTAXGKEESA-N 2 0 235.375 0.570 20 0 BCADRP CC[NH2+][C@H](C)CN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925697841 646423742 /nfs/dbraw/zinc/42/37/42/646423742.db2.gz BANNGMLIZCETBC-OUAUKWLOSA-N 2 0 211.353 0.844 20 0 BCADRP CCC([NH3+])(CC)CN[C@H]1C[NH2+]CCOC1 ZINC000925700880 646424777 /nfs/dbraw/zinc/42/47/77/646424777.db2.gz XGAXMYOIQLXYSH-JTQLQIEISA-N 2 0 215.341 0.082 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000925702529 646425035 /nfs/dbraw/zinc/42/50/35/646425035.db2.gz BBLXNYAMOXEUOO-MXWKQRLJSA-N 3 0 211.353 0.844 20 0 BCADRP [NH3+][C@@H]1C[C@@H](N[C@H]2C[NH2+]CCC2(F)F)C12CCC2 ZINC000925703089 646426360 /nfs/dbraw/zinc/42/63/60/646426360.db2.gz BYNMVWDQHQXHNR-BBBLOLIVSA-N 2 0 245.317 0.843 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000925702527 646426433 /nfs/dbraw/zinc/42/64/33/646426433.db2.gz BBLXNYAMOXEUOO-AXFHLTTASA-N 3 0 211.353 0.844 20 0 BCADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2C[NH2+]CCC2(F)F)C12CCC2 ZINC000925703091 646427444 /nfs/dbraw/zinc/42/74/44/646427444.db2.gz BYNMVWDQHQXHNR-OPRDCNLKSA-N 2 0 245.317 0.843 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C/CO ZINC000925708768 646432739 /nfs/dbraw/zinc/43/27/39/646432739.db2.gz RYXZEBWCMAKHTH-KICYYGAESA-N 2 0 210.321 0.640 20 0 BCADRP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)CO1 ZINC000925710453 646434083 /nfs/dbraw/zinc/43/40/83/646434083.db2.gz KEPIYYGNURTSHD-BSKUUZOQSA-N 2 0 240.347 0.506 20 0 BCADRP [NH3+][C@H]1C[C@H](NCCC[NH2+]C2CC2)C12CCC2 ZINC000925711441 646436265 /nfs/dbraw/zinc/43/62/65/646436265.db2.gz ZDGVWUWIVYCDOU-RYUDHWBXSA-N 2 0 223.364 0.988 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925712351 646436685 /nfs/dbraw/zinc/43/66/85/646436685.db2.gz OZULCCKSVCDDAE-DBIOUOCHSA-N 2 0 226.320 0.260 20 0 BCADRP C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1C[NH2+]CCCO1 ZINC000925712457 646437059 /nfs/dbraw/zinc/43/70/59/646437059.db2.gz VBZXBQBBZWEGPW-NWDGAFQWSA-N 2 0 239.363 0.239 20 0 BCADRP [NH3+][C@@H]1C[C@H](NCCC[NH2+]C2CC2)C12CCC2 ZINC000925711437 646437734 /nfs/dbraw/zinc/43/77/34/646437734.db2.gz ZDGVWUWIVYCDOU-NEPJUHHUSA-N 2 0 223.364 0.988 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1)[NH2+]2 ZINC000925718455 646442455 /nfs/dbraw/zinc/44/24/55/646442455.db2.gz JFLZKVJHSRBTOG-KCUSNBPKSA-N 2 0 237.347 0.369 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000925719093 646443151 /nfs/dbraw/zinc/44/31/51/646443151.db2.gz NYHYENIEHMQRIR-AXFHLTTASA-N 2 0 209.337 0.611 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NCC1([NH3+])CCOCC1 ZINC000925721337 646445871 /nfs/dbraw/zinc/44/58/71/646445871.db2.gz ZGXIZHBKYYVHDC-WDEREUQCSA-N 2 0 227.352 0.224 20 0 BCADRP [NH3+]C1(CN[C@H]2CC[NH2+]C23CCC3)CCOCC1 ZINC000925721411 646446774 /nfs/dbraw/zinc/44/67/74/646446774.db2.gz ZUMJBIYULISACQ-NSHDSACASA-N 2 0 239.363 0.369 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925725585 646452729 /nfs/dbraw/zinc/45/27/29/646452729.db2.gz AUGGSVRQKIQHNQ-VLEAKVRGSA-N 3 0 209.337 0.583 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000925729026 646453828 /nfs/dbraw/zinc/45/38/28/646453828.db2.gz OCGBBFHRINNCLM-QONHTCSSSA-N 2 0 239.363 0.746 20 0 BCADRP CCC1([NH3+])CC[NH+]([C@@H](C)CC(N)=O)CC1 ZINC000925759000 646466480 /nfs/dbraw/zinc/46/64/80/646466480.db2.gz JVWZEQRCXFDBLU-VIFPVBQESA-N 2 0 213.325 0.454 20 0 BCADRP OC[C@H](C[C@@H]1CCCO1)[NH2+]C1CC[NH2+]CC1 ZINC000925768474 646467879 /nfs/dbraw/zinc/46/78/79/646467879.db2.gz VLJFRLLUQUBNBU-RYUDHWBXSA-N 2 0 228.336 0.258 20 0 BCADRP C[C@H](N[C@H](CO)C[C@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000925767083 646468375 /nfs/dbraw/zinc/46/83/75/646468375.db2.gz MIDIEEFMMYDYOQ-RVMXOQNASA-N 2 0 242.363 0.647 20 0 BCADRP C[C@H](N[C@@H](CO)C[C@@H]1CCCO1)[C@H]1CCC[NH2+]1 ZINC000925767081 646468949 /nfs/dbraw/zinc/46/89/49/646468949.db2.gz MIDIEEFMMYDYOQ-QNWHQSFQSA-N 2 0 242.363 0.647 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000925771199 646471603 /nfs/dbraw/zinc/47/16/03/646471603.db2.gz NAJDLRIAPUBEAI-JBLDHEPKSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H](NC[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[NH2+]1 ZINC000925776844 646474898 /nfs/dbraw/zinc/47/48/98/646474898.db2.gz MVECIBJJPFCARE-OUAUKWLOSA-N 2 0 247.333 0.961 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925776888 646475335 /nfs/dbraw/zinc/47/53/35/646475335.db2.gz NKYSOKHIFBRRCB-UWVGGRQHSA-N 2 0 247.333 0.961 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1nnc2ccccn21 ZINC000925780111 646477195 /nfs/dbraw/zinc/47/71/95/646477195.db2.gz OKSIYLBNZTZOIQ-MNOVXSKESA-N 2 0 245.330 0.741 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925780155 646478067 /nfs/dbraw/zinc/47/80/67/646478067.db2.gz OZFASQUYCXNTLY-RSXHZNKKSA-N 2 0 221.348 0.180 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000925783236 646479890 /nfs/dbraw/zinc/47/98/90/646479890.db2.gz JDWBGGCXNJIXSG-DDHJBXDOSA-N 2 0 211.353 0.701 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@@H]1C ZINC000925781990 646480096 /nfs/dbraw/zinc/48/00/96/646480096.db2.gz ZSYAWRLENSQGFO-KISRQWFGSA-N 2 0 223.364 0.713 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCOC[C@H]1C ZINC000925785932 646480776 /nfs/dbraw/zinc/48/07/76/646480776.db2.gz QLIWBMFTBKWEPS-WISYIIOYSA-N 2 0 212.337 0.857 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCOC[C@H]1C ZINC000925785933 646481566 /nfs/dbraw/zinc/48/15/66/646481566.db2.gz QLIWBMFTBKWEPS-WYUUTHIRSA-N 2 0 212.337 0.857 20 0 BCADRP C[C@@H](NC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000925784541 646481821 /nfs/dbraw/zinc/48/18/21/646481821.db2.gz HAGSGRGPPAJXKZ-NDBYEHHHSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCN[C@H]1C ZINC000925797030 646486284 /nfs/dbraw/zinc/48/62/84/646486284.db2.gz SVRCGQWZYAQNKD-YVECIDJPSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925796007 646487372 /nfs/dbraw/zinc/48/73/72/646487372.db2.gz JOVKYWLYAIDKEF-LPWJVIDDSA-N 2 0 225.380 0.772 20 0 BCADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)C1C[NH2+]C1 ZINC000925803623 646488898 /nfs/dbraw/zinc/48/88/98/646488898.db2.gz SDPPELXGDUFVIA-OUAUKWLOSA-N 3 0 211.353 0.430 20 0 BCADRP [NH3+]C1CCN(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000925817060 646492038 /nfs/dbraw/zinc/49/20/38/646492038.db2.gz MIKZANMRNCXYPE-OLZOCXBDSA-N 3 0 240.395 0.269 20 0 BCADRP C[C@@H](NCCN1CCC([NH3+])CC1)[C@@H]1CCC[NH2+]1 ZINC000925816407 646492755 /nfs/dbraw/zinc/49/27/55/646492755.db2.gz GOCCUGIWBBLLIG-YPMHNXCESA-N 2 0 240.395 0.140 20 0 BCADRP Cc1cc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])nn1C ZINC000925835267 646502497 /nfs/dbraw/zinc/50/24/97/646502497.db2.gz REYQURHXDCVULH-UWVGGRQHSA-N 2 0 224.352 0.986 20 0 BCADRP C[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)[C@H]1CCCC[NH2+]1 ZINC000925836982 646504311 /nfs/dbraw/zinc/50/43/11/646504311.db2.gz AQNLSNBYKHLPAD-IJLUTSLNSA-N 2 0 239.363 0.633 20 0 BCADRP CCO[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])C[NH+](C)C ZINC000925838411 646504416 /nfs/dbraw/zinc/50/44/16/646504416.db2.gz MCBFBESFYLXVJF-GRYCIOLGSA-N 2 0 229.368 0.423 20 0 BCADRP CCO[C@@H](CN[C@H]1CCC[NH2+]CC1)C[NH+](C)C ZINC000925838277 646504617 /nfs/dbraw/zinc/50/46/17/646504617.db2.gz KYADGUOGAQERBJ-STQMWFEESA-N 2 0 243.395 0.685 20 0 BCADRP CCO[C@H](CN[C@H](C)C[C@@H](C)[NH3+])C[NH+](C)C ZINC000925838115 646504776 /nfs/dbraw/zinc/50/47/76/646504776.db2.gz JXJNTXNGEDBMQT-IJLUTSLNSA-N 2 0 231.384 0.669 20 0 BCADRP C[C@H]([NH2+]CC[C@@H]1CNC(=O)C1)[C@H]1CCCC[NH2+]1 ZINC000925836984 646505038 /nfs/dbraw/zinc/50/50/38/646505038.db2.gz AQNLSNBYKHLPAD-SDDRHHMPSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000925841117 646505730 /nfs/dbraw/zinc/50/57/30/646505730.db2.gz ZOYNTKXKOSIPAR-GRYCIOLGSA-N 2 0 239.363 0.490 20 0 BCADRP CCC[C@H](O)CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000925860396 646513600 /nfs/dbraw/zinc/51/36/00/646513600.db2.gz YCFKBORYSIQKAQ-ZDEQEGDKSA-N 2 0 244.379 0.879 20 0 BCADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CNOC1)c1ccccc1 ZINC000925860780 646515028 /nfs/dbraw/zinc/51/50/28/646515028.db2.gz UQSQFCYRDIGAJA-OLZOCXBDSA-N 2 0 235.331 0.960 20 0 BCADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CNOC1 ZINC000925863769 646517068 /nfs/dbraw/zinc/51/70/68/646517068.db2.gz FLRBLFFKEUIRFV-ONGXEEELSA-N 2 0 236.319 0.403 20 0 BCADRP CCOCCOCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000925875195 646525398 /nfs/dbraw/zinc/52/53/98/646525398.db2.gz QITXVXDDIRMGIZ-NWDGAFQWSA-N 2 0 230.352 0.627 20 0 BCADRP CCOCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925874587 646525784 /nfs/dbraw/zinc/52/57/84/646525784.db2.gz KQSIODSMHOUNRR-FUNVUKJBSA-N 2 0 242.363 0.912 20 0 BCADRP C[C@H]1CCNC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879356 646528686 /nfs/dbraw/zinc/52/86/86/646528686.db2.gz BWEZZPYOCJIIBO-WHOHXGKFSA-N 2 0 211.353 0.701 20 0 BCADRP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1OCCCO1 ZINC000393795225 711678468 /nfs/dbraw/zinc/67/84/68/711678468.db2.gz OPHDTZISUVFFAK-PHIMTYICSA-N 2 0 226.320 0.291 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720900779 711686897 /nfs/dbraw/zinc/68/68/97/711686897.db2.gz QTKCCNNRRIXYSY-GMTAPVOTSA-N 2 0 225.336 0.419 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257660876 711724583 /nfs/dbraw/zinc/72/45/83/711724583.db2.gz GHPCFEMFIAXSGI-OLZOCXBDSA-N 2 0 223.364 0.814 20 0 BCADRP C[C@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875912 711761745 /nfs/dbraw/zinc/76/17/45/711761745.db2.gz OZECEJSRPHTDLI-WHOHXGKFSA-N 2 0 211.353 0.654 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229085445 711837516 /nfs/dbraw/zinc/83/75/16/711837516.db2.gz ZGXHTAFNRKJBLS-GRYCIOLGSA-N 2 0 230.352 0.301 20 0 BCADRP COC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000397929314 711872188 /nfs/dbraw/zinc/87/21/88/711872188.db2.gz AXKRSKDAWBAKHN-ADEWGFFLSA-N 2 0 212.337 0.857 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000069720975 711893498 /nfs/dbraw/zinc/89/34/98/711893498.db2.gz BEJWFVPVESHPKU-VXGBXAGGSA-N 2 0 230.352 0.587 20 0 BCADRP COCC(COC)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702624699 712056655 /nfs/dbraw/zinc/05/66/55/712056655.db2.gz BFZZPBOBMXZKHV-BETUJISGSA-N 2 0 242.363 0.579 20 0 BCADRP COC[C@H](O)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000703617048 712081161 /nfs/dbraw/zinc/08/11/61/712081161.db2.gz FPMGCHLZEBWHAS-WISYIIOYSA-N 2 0 242.363 0.360 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CCC(CO)(CO)C2)CC1 ZINC000703787378 712088523 /nfs/dbraw/zinc/08/85/23/712088523.db2.gz ZLQZUUHJEZEKNU-UHFFFAOYSA-N 2 0 242.363 0.005 20 0 BCADRP CC1(C)CO[C@@H](C[N@@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000708338019 712189234 /nfs/dbraw/zinc/18/92/34/712189234.db2.gz QPODSSTYFZIEIV-VXGBXAGGSA-N 2 0 242.363 0.851 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)C1CC[NH+](C)CC1 ZINC000709313115 712219694 /nfs/dbraw/zinc/21/96/94/712219694.db2.gz DZEJXIXDRYWBSQ-VIFPVBQESA-N 2 0 213.325 0.134 20 0 BCADRP C[N@H+](CCCCCC[NH3+])[C@H]1CCNC1=O ZINC000710805086 712257129 /nfs/dbraw/zinc/25/71/29/712257129.db2.gz QBSDYTIEOUUGPK-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710839232 712258207 /nfs/dbraw/zinc/25/82/07/712258207.db2.gz ORNCNOZCFWPEED-XYPYZODXSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1)[NH+](C)C ZINC000711059186 712277592 /nfs/dbraw/zinc/27/75/92/712277592.db2.gz JZSABCDIADRCIE-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CCOC1CC1 ZINC000711785140 712329916 /nfs/dbraw/zinc/32/99/16/712329916.db2.gz HEZMDQCLIKHPJN-UHFFFAOYSA-N 2 0 216.325 0.333 20 0 BCADRP CCOCC(C)(C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000379159183 712370087 /nfs/dbraw/zinc/37/00/87/712370087.db2.gz JEOLHAQMRNYETR-LBPRGKRZSA-N 2 0 244.379 0.848 20 0 BCADRP COC[C@H](O)C[N@@H+]1CC[NH2+]CCC1(C)C ZINC000712537210 712442571 /nfs/dbraw/zinc/44/25/71/712442571.db2.gz YQWQTOIYSMCXAL-SNVBAGLBSA-N 2 0 216.325 0.068 20 0 BCADRP COC[C@@H](C[N@@H+]1CC[NH2+]CCC12CCC2)OC ZINC000713125514 712453456 /nfs/dbraw/zinc/45/34/56/712453456.db2.gz OKGXAPZTLFJXEP-GFCCVEGCSA-N 2 0 242.363 0.866 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713255849 712456915 /nfs/dbraw/zinc/45/69/15/712456915.db2.gz OJCDVPLAXLREGJ-SCVCMEIPSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H](CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[NH+](C)C ZINC000713400841 712459121 /nfs/dbraw/zinc/45/91/21/712459121.db2.gz SSJFEKMVBLLHSX-DCQANWLSSA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)NC2CCC([NH3+])CC2)C1(F)F ZINC000715126227 712511402 /nfs/dbraw/zinc/51/14/02/712511402.db2.gz QFAYJFNRSUGTGW-GEPGNKONSA-N 2 0 247.289 0.213 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000037484146 712650785 /nfs/dbraw/zinc/65/07/85/712650785.db2.gz ZPNTVKWFQUGPAH-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)C1C[NH2+]C1 ZINC000717605469 712662321 /nfs/dbraw/zinc/66/23/21/712662321.db2.gz AQCPGPSKSIOGEK-GXSJLCMTSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@H](C[NH2+][C@H](C)C[C@@H]1CCC(=O)N1)C[NH+](C)C ZINC000380093653 712685543 /nfs/dbraw/zinc/68/55/43/712685543.db2.gz VMXMZWFUUZZCKZ-UTUOFQBUSA-N 2 0 241.379 0.831 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000385007123 712707668 /nfs/dbraw/zinc/70/76/68/712707668.db2.gz WYHCNXMNTQRSTF-LBPRGKRZSA-N 2 0 228.336 0.333 20 0 BCADRP NC(=O)CC1CC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000718408036 712759680 /nfs/dbraw/zinc/75/96/80/712759680.db2.gz WRWFBIZWNVIONX-VGRIYTJTSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000038029527 712800201 /nfs/dbraw/zinc/80/02/01/712800201.db2.gz QYAVDCGLPUFQQV-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000038029443 712800517 /nfs/dbraw/zinc/80/05/17/712800517.db2.gz BEWRVKXGJMWVEC-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H](CNC(=O)[C@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000038089260 712806844 /nfs/dbraw/zinc/80/68/44/712806844.db2.gz OXKDYKKZOJWUGJ-CMPLNLGQSA-N 2 0 235.331 0.753 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCO[C@@H](C)CC1 ZINC000719783307 712824929 /nfs/dbraw/zinc/82/49/29/712824929.db2.gz SFYHMQSXVGZNRL-WOPDTQHZSA-N 2 0 212.337 0.953 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720904074 712875718 /nfs/dbraw/zinc/87/57/18/712875718.db2.gz WGWKBLQNRYCSSF-OUAUKWLOSA-N 2 0 225.336 0.419 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@H]1CC[NH2+]C1 ZINC000720890286 712874173 /nfs/dbraw/zinc/87/41/73/712874173.db2.gz LJAIVJCLPOCLAT-RWMBFGLXSA-N 2 0 223.364 0.764 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720896771 712876671 /nfs/dbraw/zinc/87/66/71/712876671.db2.gz DNYZAMFRMPHSFK-WOPDTQHZSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)CC(=O)N1CCCC1 ZINC000721039941 712887639 /nfs/dbraw/zinc/88/76/39/712887639.db2.gz MMAYVYJCBZLHIB-NEPJUHHUSA-N 2 0 239.363 0.396 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1c(F)cccc1F ZINC000381579205 710656637 /nfs/dbraw/zinc/65/66/37/710656637.db2.gz ZNFOPLDIXJKBIT-UHFFFAOYSA-N 2 0 215.247 0.340 20 0 BCADRP CCN1CCC[C@H]([NH2+]C2CCN(C)CC2)C1=O ZINC000722356578 710708088 /nfs/dbraw/zinc/70/80/88/710708088.db2.gz JZRSHUFENAPILP-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@H](O)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000382046293 710767738 /nfs/dbraw/zinc/76/77/38/710767738.db2.gz KSQVGSCIMRIWMD-MCDVFOBDSA-N 2 0 224.348 0.733 20 0 BCADRP C1=CO[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000393821321 710804003 /nfs/dbraw/zinc/80/40/03/710804003.db2.gz KYEDBGWKYYWGBX-TUAOUCFPSA-N 2 0 208.305 0.830 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1C[C@@H](O)C1(C)C ZINC000396712228 710907602 /nfs/dbraw/zinc/90/76/02/710907602.db2.gz RKZCMPARKWEFDQ-XWLWVQCSSA-N 2 0 212.337 0.876 20 0 BCADRP COCC[N@H+](C)CCN[C@@H]1CCC[NH2+][C@H]1C ZINC000396682998 710907741 /nfs/dbraw/zinc/90/77/41/710907741.db2.gz WTNSOKXTQHACBE-NWDGAFQWSA-N 2 0 229.368 0.295 20 0 BCADRP CN(CCC[NH2+]C1CC1)C1CC[NH2+]CC1 ZINC000382531713 710973415 /nfs/dbraw/zinc/97/34/15/710973415.db2.gz IONNWLQYMPPESF-UHFFFAOYSA-N 2 0 211.353 0.812 20 0 BCADRP CN(C[C@@H]1CC[NH2+]C1)[C@H]1CCCCNC1=O ZINC000382754669 710974089 /nfs/dbraw/zinc/97/40/89/710974089.db2.gz MDIZQZCQHHCUSN-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@@]1([NH2+]C[C@H](O)C[NH+]2CCCC2)CCOC1 ZINC000383125730 710977314 /nfs/dbraw/zinc/97/73/14/710977314.db2.gz ULBUEWMYUSRYEA-QWHCGFSZSA-N 2 0 242.363 0.602 20 0 BCADRP CC(C)[N@H+](C)CCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000383360210 710980701 /nfs/dbraw/zinc/98/07/01/710980701.db2.gz WGOSZRAAVYSPSL-MEBFFEOJSA-N 2 0 237.391 0.913 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000384910207 710999582 /nfs/dbraw/zinc/99/95/82/710999582.db2.gz DEEOMFLBUPLJHR-NXEZZACHSA-N 2 0 216.325 0.317 20 0 BCADRP COCCOCCOCCN1C[C@H]([NH3+])C[C@H]1C ZINC000385241370 711008358 /nfs/dbraw/zinc/00/83/58/711008358.db2.gz LQNFGDJZWQYXMU-VXGBXAGGSA-N 2 0 246.351 0.088 20 0 BCADRP C[C@H]1CC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000389219419 711073485 /nfs/dbraw/zinc/07/34/85/711073485.db2.gz MQKFFABZYLSIKI-QWRGUYRKSA-N 2 0 200.326 0.953 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000389438241 711077990 /nfs/dbraw/zinc/07/79/90/711077990.db2.gz FMUNVLQDMKPODL-LBPRGKRZSA-N 2 0 212.337 0.785 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000389638139 711084281 /nfs/dbraw/zinc/08/42/81/711084281.db2.gz KCDUZFHDMPSXEV-JQWIXIFHSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H](C[NH2+][C@@H]1CCCNC(=O)C1)C[NH+](C)C ZINC000390299738 711111924 /nfs/dbraw/zinc/11/19/24/711111924.db2.gz CBAATHGAYAVCPX-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000390534646 711124365 /nfs/dbraw/zinc/12/43/65/711124365.db2.gz JTOPBZDNRNYUEG-WISYIIOYSA-N 3 0 211.353 0.925 20 0 BCADRP CC1(C)CNCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000390617164 711129336 /nfs/dbraw/zinc/12/93/36/711129336.db2.gz HGQKWFIPOQLJOT-MNOVXSKESA-N 2 0 211.353 0.798 20 0 BCADRP C([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CCOCC1 ZINC000392787917 711151353 /nfs/dbraw/zinc/15/13/53/711151353.db2.gz BIFGFYJJPZYMQH-YHQUGGNUSA-N 2 0 236.359 0.999 20 0 BCADRP Cc1cc(NCC2=CC[N@H+](C)CC2)nc(N)[nH+]1 ZINC000392820969 711152275 /nfs/dbraw/zinc/15/22/75/711152275.db2.gz QGKIECXHDSAABH-UHFFFAOYSA-N 2 0 233.319 0.293 20 0 BCADRP CC(C)[C@H](CO)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000394072690 711183473 /nfs/dbraw/zinc/18/34/73/711183473.db2.gz QLZDPPFHLLTUNZ-XNBXPENISA-N 2 0 238.375 0.837 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000395384836 711209959 /nfs/dbraw/zinc/20/99/59/711209959.db2.gz MQSDBWXYQXMQPS-NSHDSACASA-N 2 0 216.325 0.319 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC1CC[NH+](C)CC1 ZINC000396576984 711356882 /nfs/dbraw/zinc/35/68/82/711356882.db2.gz CXHONPPMLXCDTB-JQWIXIFHSA-N 2 0 211.353 0.811 20 0 BCADRP C[C@H](O)C[C@H](C)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000398691105 711415053 /nfs/dbraw/zinc/41/50/53/711415053.db2.gz RVEPRICRNFUJDH-ISCIKXKRSA-N 2 0 238.375 0.979 20 0 BCADRP CO[C@@H]1CCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000380807635 710591331 /nfs/dbraw/zinc/59/13/31/710591331.db2.gz IUUKSSGSGUEUCN-NWDGAFQWSA-N 2 0 230.352 0.722 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000381257994 710613801 /nfs/dbraw/zinc/61/38/01/710613801.db2.gz QTXMCKCHXJCDBQ-GHMZBOCLSA-N 2 0 230.352 0.362 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000724564294 710742412 /nfs/dbraw/zinc/74/24/12/710742412.db2.gz VJNFHTDFTRRXRT-BJDJZHNGSA-N 2 0 226.320 0.071 20 0 BCADRP CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001045205527 710836626 /nfs/dbraw/zinc/83/66/26/710836626.db2.gz NVSIYUTWJQPKHC-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP COCC(COC)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000384976798 711000942 /nfs/dbraw/zinc/00/09/42/711000942.db2.gz QCWLCBGKIFNSOW-WDEREUQCSA-N 2 0 228.336 0.189 20 0 BCADRP CN1CCC[NH+]=C1NC[C@H]1CCC[N@H+](C)C1 ZINC000386579783 711032587 /nfs/dbraw/zinc/03/25/87/711032587.db2.gz OHKLNPMJAYLKAR-LLVKDONJSA-N 2 0 224.352 0.609 20 0 BCADRP Cn1ncc(CN[C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000389834300 711090525 /nfs/dbraw/zinc/09/05/25/711090525.db2.gz MIVRHBJSFHFWTJ-GXSJLCMTSA-N 2 0 223.324 0.422 20 0 BCADRP Cn1ncc(CN[C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000389834306 711090626 /nfs/dbraw/zinc/09/06/26/711090626.db2.gz MIVRHBJSFHFWTJ-ONGXEEELSA-N 2 0 223.324 0.422 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NCC1=CC[N@H+](C)CC1 ZINC000396702139 711365827 /nfs/dbraw/zinc/36/58/27/711365827.db2.gz LJNKUTHMORHCIT-YPMHNXCESA-N 2 0 223.364 0.978 20 0 BCADRP C[C@]1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCOC1 ZINC000397151480 711377413 /nfs/dbraw/zinc/37/74/13/711377413.db2.gz JNWHKCCOZZWLLU-ARFNZGECSA-N 2 0 236.359 0.999 20 0 BCADRP CO[C@H]1CCC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397661656 711387555 /nfs/dbraw/zinc/38/75/55/711387555.db2.gz DESIQRQHTPWRAH-RYUDHWBXSA-N 2 0 242.363 0.600 20 0 BCADRP C[NH+](C)C1(CNC(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000397842324 711393186 /nfs/dbraw/zinc/39/31/86/711393186.db2.gz COWNEXYYHGYMHG-UHFFFAOYSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710890584 711449246 /nfs/dbraw/zinc/44/92/46/711449246.db2.gz GOEUNGPAWZQVIG-MGCOHNPYSA-N 2 0 213.325 0.182 20 0 BCADRP O[C@@H]1CC[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000383256819 711493415 /nfs/dbraw/zinc/49/34/15/711493415.db2.gz FQNFPSQOVNYKTO-BUWWMVEJSA-N 2 0 236.359 0.733 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](CCc2cn[nH]c2)C1 ZINC000723692505 711533910 /nfs/dbraw/zinc/53/39/10/711533910.db2.gz YNJQUHUPWSGRGM-JTQLQIEISA-N 2 0 208.309 0.623 20 0 BCADRP CCOC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723683672 711534248 /nfs/dbraw/zinc/53/42/48/711534248.db2.gz STYBILSSSRMVLQ-SECBINFHSA-N 2 0 200.282 0.220 20 0 BCADRP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723712245 711535667 /nfs/dbraw/zinc/53/56/67/711535667.db2.gz OUFCVGWMEITYIC-LLVKDONJSA-N 2 0 222.336 0.899 20 0 BCADRP CCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000133081367 711558643 /nfs/dbraw/zinc/55/86/43/711558643.db2.gz DKQZCWUTVYWOEY-NXEZZACHSA-N 2 0 213.325 0.039 20 0 BCADRP CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000724158551 711565247 /nfs/dbraw/zinc/56/52/47/711565247.db2.gz YCOQJZMRIKSZOY-SDDRHHMPSA-N 2 0 240.347 0.617 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892099582 711574776 /nfs/dbraw/zinc/57/47/76/711574776.db2.gz SCPAMEAYGMWSLN-OPRDCNLKSA-N 2 0 228.340 0.021 20 0 BCADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000724562481 711592582 /nfs/dbraw/zinc/59/25/82/711592582.db2.gz GYAKILAVYQDLAT-QNWHQSFQSA-N 2 0 240.347 0.461 20 0 BCADRP [NH3+]C1(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)CCC1 ZINC000724578347 711594775 /nfs/dbraw/zinc/59/47/75/711594775.db2.gz XECRPINCXPYUER-VWYCJHECSA-N 2 0 226.320 0.261 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724586997 711595764 /nfs/dbraw/zinc/59/57/64/711595764.db2.gz RLVOULOZRLTGRY-IIRVCBMXSA-N 2 0 240.347 0.506 20 0 BCADRP CC1([NH3+])CC[NH+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000724612558 711598582 /nfs/dbraw/zinc/59/85/82/711598582.db2.gz KMEGMLHYIYPUGA-GRYCIOLGSA-N 2 0 240.347 0.604 20 0 BCADRP [NH3+]C[C@@H]1CCC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724915823 711627804 /nfs/dbraw/zinc/62/78/04/711627804.db2.gz RQDGQKOQJFOJLH-NWDGAFQWSA-N 2 0 228.336 0.463 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCO[C@H]1CCOC1 ZINC000724921176 711628715 /nfs/dbraw/zinc/62/87/15/711628715.db2.gz KXMWOQHPGDDYNO-UTUOFQBUSA-N 2 0 228.336 0.604 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724957233 711634487 /nfs/dbraw/zinc/63/44/87/711634487.db2.gz VITXSTSOVCRUPH-VXGBXAGGSA-N 2 0 228.336 0.463 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000134034519 711642475 /nfs/dbraw/zinc/64/24/75/711642475.db2.gz NSOYPYJLEVVQRO-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000309368873 711676519 /nfs/dbraw/zinc/67/65/19/711676519.db2.gz BQXWFJFFXYEVOA-PSASIEDQSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000394953737 711691144 /nfs/dbraw/zinc/69/11/44/711691144.db2.gz OOHUSFPHENIBFQ-GXSJLCMTSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H]1NCCC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000925689146 711709382 /nfs/dbraw/zinc/70/93/82/711709382.db2.gz GYRKDFWETJLFGB-CHWSQXEVSA-N 2 0 240.395 0.012 20 0 BCADRP C[C@H]1NCCC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000925689148 711709522 /nfs/dbraw/zinc/70/95/22/711709522.db2.gz GYRKDFWETJLFGB-OLZOCXBDSA-N 2 0 240.395 0.012 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257660877 711724691 /nfs/dbraw/zinc/72/46/91/711724691.db2.gz GHPCFEMFIAXSGI-QWHCGFSZSA-N 2 0 223.364 0.814 20 0 BCADRP C[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)C1CC[NH2+]CC1 ZINC000722253577 711731421 /nfs/dbraw/zinc/73/14/21/711731421.db2.gz OBCOLGDCNRJSFB-NTZNESFSSA-N 2 0 225.380 0.914 20 0 BCADRP CC[C@H](CN1CCOCC1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000925819373 711755769 /nfs/dbraw/zinc/75/57/69/711755769.db2.gz AZZNTYNQSXUVSO-RWMBFGLXSA-N 2 0 243.395 0.813 20 0 BCADRP C[NH2+][C@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000310285568 711760385 /nfs/dbraw/zinc/76/03/85/711760385.db2.gz QKVVVGCZKPIDLU-STQMWFEESA-N 2 0 241.379 0.127 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911673018 711819242 /nfs/dbraw/zinc/81/92/42/711819242.db2.gz IWNBNIXUDYFFEQ-VHSXEESVSA-N 2 0 245.392 0.325 20 0 BCADRP COC[C@@H](O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227735936 711832673 /nfs/dbraw/zinc/83/26/73/711832673.db2.gz ZGFRSMCEMZGGEI-WDEREUQCSA-N 2 0 218.341 0.299 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CC2CC2)CC[N@@H+]1C ZINC000382509501 711919273 /nfs/dbraw/zinc/91/92/73/711919273.db2.gz XNUOOYHIHAKRRA-ADEWGFFLSA-N 2 0 239.363 0.713 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000131863581 711949543 /nfs/dbraw/zinc/94/95/43/711949543.db2.gz CVMQUVZGLISJAB-LPEHRKFASA-N 2 0 245.392 0.276 20 0 BCADRP C[NH+](C)C(C)(C)CNC1=[NH+]CCCCN1 ZINC000700190258 711987378 /nfs/dbraw/zinc/98/73/78/711987378.db2.gz FAAUYHGQYRJOJP-UHFFFAOYSA-N 2 0 212.341 0.656 20 0 BCADRP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C(=O)NC ZINC000700470306 711993782 /nfs/dbraw/zinc/99/37/82/711993782.db2.gz BVTUPYCWXBYQBR-GUBZILKMSA-N 2 0 225.336 0.371 20 0 BCADRP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C(=O)NC ZINC000700470304 711993961 /nfs/dbraw/zinc/99/39/61/711993961.db2.gz BVTUPYCWXBYQBR-AEJSXWLSSA-N 2 0 225.336 0.371 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033660919 712011597 /nfs/dbraw/zinc/01/15/97/712011597.db2.gz JKYQINTUBTVIKB-NEPJUHHUSA-N 2 0 239.363 0.491 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CCN(C)C(=O)OC ZINC000701924274 712033867 /nfs/dbraw/zinc/03/38/67/712033867.db2.gz LQOZRIRPGKWGID-JTQLQIEISA-N 2 0 247.339 0.028 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(CC(=O)N1CCCC1)C2 ZINC000702075948 712038015 /nfs/dbraw/zinc/03/80/15/712038015.db2.gz INYVAHSNPGCYIN-WCQYABFASA-N 2 0 237.347 0.150 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC[C@@H]1CCOC1)C2 ZINC000702097505 712039139 /nfs/dbraw/zinc/03/91/39/712039139.db2.gz NWROSCDBXGFYKK-FRRDWIJNSA-N 2 0 224.348 0.954 20 0 BCADRP COCCCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702125672 712039608 /nfs/dbraw/zinc/03/96/08/712039608.db2.gz OOPAXKUSPINNQV-NWDGAFQWSA-N 2 0 212.337 0.954 20 0 BCADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCSC2)C12CCC2 ZINC000702273601 712043997 /nfs/dbraw/zinc/04/39/97/712043997.db2.gz UYDKYHQQVQNLDA-VWYCJHECSA-N 2 0 242.388 0.714 20 0 BCADRP C[N@@H+]1C[C@@H]2CN(C[C@]3(C)CC[NH2+]C3)C[C@]2(C)C1 ZINC000702470239 712053894 /nfs/dbraw/zinc/05/38/94/712053894.db2.gz OYUZAUSHXABCHF-MCIONIFRSA-N 2 0 237.391 0.870 20 0 BCADRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])Nc2ccccc2)C1 ZINC000702591443 712056531 /nfs/dbraw/zinc/05/65/31/712056531.db2.gz NQVPMQUDUIQANU-ZDUSSCGKSA-N 2 0 248.330 0.689 20 0 BCADRP C[C@@H]([NH2+][C@H]1CNOC1)C1CC[NH+](C)CC1 ZINC000703398396 712075478 /nfs/dbraw/zinc/07/54/78/712075478.db2.gz OKVCXXBEJNYTDY-KOLCDFICSA-N 2 0 213.325 0.210 20 0 BCADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)CC1CC[NH+](C)CC1 ZINC000703616700 712081459 /nfs/dbraw/zinc/08/14/59/712081459.db2.gz PXOIACKFTUNCQO-BETUJISGSA-N 3 0 225.380 0.997 20 0 BCADRP CC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708060988 712179890 /nfs/dbraw/zinc/17/98/90/712179890.db2.gz AYZJHZQQONHPHK-DDHJBXDOSA-N 2 0 241.379 0.816 20 0 BCADRP CC1(C)CO[C@H](C[NH+]2CCC(O)(C[NH3+])CC2)C1 ZINC000708341526 712188937 /nfs/dbraw/zinc/18/89/37/712188937.db2.gz SSWXXUJYNDWHRB-NSHDSACASA-N 2 0 242.363 0.587 20 0 BCADRP CC(C)OC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708893255 712202506 /nfs/dbraw/zinc/20/25/06/712202506.db2.gz JNNKIZSLIPNYKR-QJPTWQEYSA-N 2 0 230.352 0.299 20 0 BCADRP C[N@@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709408062 712221449 /nfs/dbraw/zinc/22/14/49/712221449.db2.gz SAARUKWJNOCQIH-PSIUFMSWSA-N 2 0 209.337 0.563 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CCCC1)C2 ZINC000709837590 712229509 /nfs/dbraw/zinc/22/95/09/712229509.db2.gz RKBDBWZETPUHDW-SRVKXCTJSA-N 2 0 237.347 0.420 20 0 BCADRP COc1ccc(CNC(C[NH3+])C[NH3+])cc1 ZINC000710086207 712244725 /nfs/dbraw/zinc/24/47/25/712244725.db2.gz SYDDPMZYQYZREG-UHFFFAOYSA-N 2 0 209.293 0.071 20 0 BCADRP C[C@H](C(=O)N(C)C)[N@H+](C)CCCCCC[NH3+] ZINC000710751675 712256239 /nfs/dbraw/zinc/25/62/39/712256239.db2.gz VJDSALSMIZGAIN-LLVKDONJSA-N 2 0 229.368 0.914 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000710868842 712259880 /nfs/dbraw/zinc/25/98/80/712259880.db2.gz DPDJHYZWLALFHX-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710871627 712260863 /nfs/dbraw/zinc/26/08/63/712260863.db2.gz UYDDPGNVGBUFLM-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000141688157 712284056 /nfs/dbraw/zinc/28/40/56/712284056.db2.gz GVKBTXIFCURTNL-UHFFFAOYSA-N 2 0 211.353 0.576 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711255324 712292126 /nfs/dbraw/zinc/29/21/26/712292126.db2.gz XJGVYBZKSJHKRK-JTQLQIEISA-N 2 0 227.352 0.300 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000711310334 712293638 /nfs/dbraw/zinc/29/36/38/712293638.db2.gz JWQRVOGMDHIXAA-LLVKDONJSA-N 2 0 239.363 0.396 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000711311153 712293779 /nfs/dbraw/zinc/29/37/79/712293779.db2.gz QPNNGBYEGPZELP-GHMZBOCLSA-N 2 0 239.363 0.300 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](CF)C1 ZINC000711440217 712300855 /nfs/dbraw/zinc/30/08/55/712300855.db2.gz CWIGEDKNRYJUTP-SNVBAGLBSA-N 2 0 204.289 0.643 20 0 BCADRP C[N@H+](CCOC1CC1)CCN1CC[NH2+]CC1 ZINC000711758553 712325618 /nfs/dbraw/zinc/32/56/18/712325618.db2.gz JQZNVHAVTMCIAX-UHFFFAOYSA-N 2 0 227.352 0.002 20 0 BCADRP C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)OC1CC1 ZINC000711764678 712327483 /nfs/dbraw/zinc/32/74/83/712327483.db2.gz FFTWNZRGAUBVKJ-LBPRGKRZSA-N 2 0 239.363 0.145 20 0 BCADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479758 712334228 /nfs/dbraw/zinc/33/42/28/712334228.db2.gz SLNHJRUFUWPJGT-STQMWFEESA-N 2 0 244.379 0.691 20 0 BCADRP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479747 712334411 /nfs/dbraw/zinc/33/44/11/712334411.db2.gz CNXPJRDPLBKRCN-LBPRGKRZSA-N 2 0 239.363 0.526 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480384 712335085 /nfs/dbraw/zinc/33/50/85/712335085.db2.gz XYKQPQRWWVABFH-VHSXEESVSA-N 2 0 218.366 0.381 20 0 BCADRP C[C@H]([NH2+][C@@H]1CC[C@H]1O)C1CC[NH+](C)CC1 ZINC000378725045 712358246 /nfs/dbraw/zinc/35/82/46/712358246.db2.gz IEOJBJJHBYEHHV-MVWJERBFSA-N 2 0 212.337 0.830 20 0 BCADRP CC[NH2+]CC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000379462116 712385012 /nfs/dbraw/zinc/38/50/12/712385012.db2.gz UETZDRNCZBDXQQ-IQJOONFLSA-N 2 0 213.325 0.099 20 0 BCADRP FC(F)[C@@H]1C[NH2+]CCN1C[C@@H]1CC[NH2+]C1 ZINC000390752573 712427326 /nfs/dbraw/zinc/42/73/26/712427326.db2.gz DVRQSJWJKOWHKZ-BDAKNGLRSA-N 2 0 219.279 0.135 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC[C@@H](O)C[NH+](C)C1CC1 ZINC000712577589 712432980 /nfs/dbraw/zinc/43/29/80/712432980.db2.gz GTYNJGOTMVJWCR-QWHCGFSZSA-N 2 0 241.379 0.125 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH2+]C(C)(C)C ZINC000712597111 712436087 /nfs/dbraw/zinc/43/60/87/712436087.db2.gz KZIRTNDKLGGBFJ-LLVKDONJSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712674542 712440504 /nfs/dbraw/zinc/44/05/04/712440504.db2.gz UYVJRSCMEZJDLK-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP COC[C@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000714468912 712491005 /nfs/dbraw/zinc/49/10/05/712491005.db2.gz DECFTMAKLZXTMB-FRRDWIJNSA-N 2 0 242.363 0.458 20 0 BCADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000714729419 712496872 /nfs/dbraw/zinc/49/68/72/712496872.db2.gz GJXSTCCYDKYBBZ-WGSKYGEUSA-N 2 0 236.359 0.997 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000714994927 712503131 /nfs/dbraw/zinc/50/31/31/712503131.db2.gz MBHFHWVIILXGOG-JHJVBQTASA-N 2 0 242.363 0.458 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000715010026 712504044 /nfs/dbraw/zinc/50/40/44/712504044.db2.gz JWJJLOUAQSJYCH-UTUOFQBUSA-N 2 0 228.336 0.068 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC000036871871 712506502 /nfs/dbraw/zinc/50/65/02/712506502.db2.gz KLGUGGSCDWLMQO-JTQLQIEISA-N 2 0 213.325 0.276 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715402889 712517050 /nfs/dbraw/zinc/51/70/50/712517050.db2.gz NDVHGWCYXQFIFL-OLZOCXBDSA-N 2 0 242.363 0.851 20 0 BCADRP CC[NH2+]CC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715519296 712525010 /nfs/dbraw/zinc/52/50/10/712525010.db2.gz RRBFMOUVCIPXAS-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000036999121 712528929 /nfs/dbraw/zinc/52/89/29/712528929.db2.gz YTODLUAVJVWCBK-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715570742 712529325 /nfs/dbraw/zinc/52/93/25/712529325.db2.gz LWSVWJJKOITAAR-WOPDTQHZSA-N 2 0 241.379 0.973 20 0 BCADRP C[C@@H]([NH2+]CCC1(C)OCCO1)[C@@H]1CCC[NH2+]1 ZINC000716033305 712547107 /nfs/dbraw/zinc/54/71/07/712547107.db2.gz KGSKFJKVCXXVIU-MNOVXSKESA-N 2 0 228.336 0.870 20 0 BCADRP CC1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)OCCO1 ZINC000716819653 712577059 /nfs/dbraw/zinc/57/70/59/712577059.db2.gz NUHVFPKZMZHNCL-ZJUUUORDSA-N 2 0 214.309 0.609 20 0 BCADRP C[C@H](CNC1=[NH+]C[C@H](C)N1)[NH+]1CCCC1 ZINC000379867749 712619232 /nfs/dbraw/zinc/61/92/32/712619232.db2.gz OXOHHOMJMVVCRO-VHSXEESVSA-N 2 0 210.325 0.408 20 0 BCADRP O=C(CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000379930347 712631733 /nfs/dbraw/zinc/63/17/33/712631733.db2.gz OBRDRHBBAMAISR-QWRGUYRKSA-N 2 0 208.305 0.507 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@H](CO)CC(F)F)CC1 ZINC000717812422 712680538 /nfs/dbraw/zinc/68/05/38/712680538.db2.gz VMMVVOPBNINMLG-JTQLQIEISA-N 2 0 236.306 0.934 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@@H](CO)CC(F)F)CC1 ZINC000717812423 712680577 /nfs/dbraw/zinc/68/05/77/712680577.db2.gz VMMVVOPBNINMLG-SNVBAGLBSA-N 2 0 236.306 0.934 20 0 BCADRP COCC(COC)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000384891222 712704225 /nfs/dbraw/zinc/70/42/25/712704225.db2.gz YFGQFOJTPZQPNT-WDEREUQCSA-N 2 0 230.352 0.707 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)CCCCC[NH3+])C1 ZINC000037643446 712733112 /nfs/dbraw/zinc/73/31/12/712733112.db2.gz MYMSAOSNQSXWPS-LBPRGKRZSA-N 2 0 241.379 0.964 20 0 BCADRP NC(=O)CC1CC([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000718478456 712766743 /nfs/dbraw/zinc/76/67/43/712766743.db2.gz SWCIXJOAWPWGQL-TVMWAVNOSA-N 2 0 249.358 0.226 20 0 BCADRP CCCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037859686 712776219 /nfs/dbraw/zinc/77/62/19/712776219.db2.gz DAFOTGPBBMIEJK-LLVKDONJSA-N 2 0 200.326 0.833 20 0 BCADRP C[C@@H]1C(=O)NCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719250597 712801077 /nfs/dbraw/zinc/80/10/77/712801077.db2.gz GUGYEIPNBKKJLQ-WAAKLRNESA-N 2 0 237.347 0.337 20 0 BCADRP CN1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000719253071 712801408 /nfs/dbraw/zinc/80/14/08/712801408.db2.gz MRJOJFYQSCJHRY-YOGCLGLASA-N 2 0 237.347 0.291 20 0 BCADRP CC[N@@H+](CC(N)=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719249272 712801427 /nfs/dbraw/zinc/80/14/27/712801427.db2.gz SBELVHBFSJWNFL-FGWVZKOKSA-N 2 0 225.336 0.324 20 0 BCADRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CC2)C1 ZINC000719343029 712804991 /nfs/dbraw/zinc/80/49/91/712804991.db2.gz BQGUDFZILFXFGN-SNVBAGLBSA-N 2 0 224.352 0.995 20 0 BCADRP C[C@@H]1[C@H](NC[C@@H](O)C[NH+](C)C2CC2)CC[N@@H+]1C ZINC000719634346 712814688 /nfs/dbraw/zinc/81/46/88/712814688.db2.gz BLGYUSGOPPUTFS-RAIGVLPGSA-N 2 0 241.379 0.124 20 0 BCADRP C[C@@H]1CC[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000719776867 712823726 /nfs/dbraw/zinc/82/37/26/712823726.db2.gz DZQKHRSPJQBYAT-GFCCVEGCSA-N 2 0 227.352 0.002 20 0 BCADRP CC1(C)CN(C[C@H](O)C[NH+]2CCCC2)C[C@H]1[NH3+] ZINC000720770791 712864974 /nfs/dbraw/zinc/86/49/74/712864974.db2.gz ZIFSECZQUNNPGT-VXGBXAGGSA-N 2 0 241.379 0.112 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CC[NH3+] ZINC000720886017 712874665 /nfs/dbraw/zinc/87/46/65/712874665.db2.gz GSBVTDUHXIRHII-UWVGGRQHSA-N 2 0 211.309 0.030 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCC[NH2+]1 ZINC000720903787 712875166 /nfs/dbraw/zinc/87/51/66/712875166.db2.gz VVXRJURUSZHLFI-QJPTWQEYSA-N 2 0 237.347 0.434 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CC[NH2+]1 ZINC000720900111 712875175 /nfs/dbraw/zinc/87/51/75/712875175.db2.gz OTFKHKBOYUATMO-GMTAPVOTSA-N 2 0 223.320 0.043 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000720901463 712876108 /nfs/dbraw/zinc/87/61/08/712876108.db2.gz SALRTASNGGPNAT-KKOKHZNYSA-N 2 0 237.347 0.419 20 0 BCADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@H]2C[C@H](O)C2)C12CCC2 ZINC000720938204 712880672 /nfs/dbraw/zinc/88/06/72/712880672.db2.gz ZVIXNWWOSPACHX-NAKRPEOUSA-N 2 0 210.321 0.617 20 0 BCADRP CC(=O)N1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000721039883 712887897 /nfs/dbraw/zinc/88/78/97/712887897.db2.gz LBUOKUXWKIEZRL-PWSUYJOCSA-N 2 0 225.336 0.006 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CCN(C)C[C@@H]1C ZINC000228765583 168321328 /nfs/dbraw/zinc/32/13/28/168321328.db2.gz UJFYOUZFAOZJDT-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000236676820 168322051 /nfs/dbraw/zinc/32/20/51/168322051.db2.gz QOEPQWMPKIYRJW-LLVKDONJSA-N 2 0 241.379 0.867 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000045108039 168322097 /nfs/dbraw/zinc/32/20/97/168322097.db2.gz UMZMNCOKOJVDNC-SNVBAGLBSA-N 2 0 229.368 0.818 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418350941 192026699 /nfs/dbraw/zinc/02/66/99/192026699.db2.gz RLMZPAMQGLTZAU-MNOVXSKESA-N 2 0 242.367 0.413 20 0 BCADRP CC(C)[C@H]1CN(C(=O)NCCC[NH3+])CC[N@@H+]1C ZINC000418350731 192026714 /nfs/dbraw/zinc/02/67/14/192026714.db2.gz LQBKOQBONOTNOX-LLVKDONJSA-N 2 0 242.367 0.317 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000153239123 136212800 /nfs/dbraw/zinc/21/28/00/136212800.db2.gz PXVOZVYZVUQVSD-GHMZBOCLSA-N 2 0 227.352 0.535 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000257704719 349482145 /nfs/dbraw/zinc/48/21/45/349482145.db2.gz PEIPLCWNFAJLMW-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000257762724 349483756 /nfs/dbraw/zinc/48/37/56/349483756.db2.gz YCYROSSTPFZNEZ-GFCCVEGCSA-N 2 0 227.352 0.132 20 0 BCADRP C[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CC(=O)N1 ZINC000257772183 349483944 /nfs/dbraw/zinc/48/39/44/349483944.db2.gz DCLSZDXICGSRTG-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)[NH2+]C)C1 ZINC000062972823 349503093 /nfs/dbraw/zinc/50/30/93/349503093.db2.gz IOFRIXCZYURTFP-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973243 349503188 /nfs/dbraw/zinc/50/31/88/349503188.db2.gz OOMBHGGLDLPKBD-QWRGUYRKSA-N 2 0 225.336 0.291 20 0 BCADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+](C2CCC2)CC1 ZINC000649334124 398150752 /nfs/dbraw/zinc/15/07/52/398150752.db2.gz MKYMYSXNACFHHZ-ITGUQSILSA-N 2 0 249.358 0.149 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649342314 398159493 /nfs/dbraw/zinc/15/94/93/398159493.db2.gz ZGBSOAWBWWLOMD-QCNOEVLYSA-N 2 0 237.347 0.195 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC[NH+]1CCC(C)CC1 ZINC000040772645 398168530 /nfs/dbraw/zinc/16/85/30/398168530.db2.gz BVRDWIALFUWQOE-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1CC[N@H+](CCC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000164658095 136215074 /nfs/dbraw/zinc/21/50/74/136215074.db2.gz WQBHCZYUYOJEBX-MNOVXSKESA-N 2 0 227.352 0.381 20 0 BCADRP CC(C)([NH3+])CC(=O)NCC1=CC[NH2+]CC1 ZINC000390357822 398169938 /nfs/dbraw/zinc/16/99/38/398169938.db2.gz QXCFZENEVNOWDD-UHFFFAOYSA-N 2 0 211.309 0.150 20 0 BCADRP C[C@H]([NH3+])CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000649359804 398171948 /nfs/dbraw/zinc/17/19/48/398171948.db2.gz CDGMOCPXBYQQRZ-GUBZILKMSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)c1sccc1C[NH+](C)C ZINC000649359996 398172738 /nfs/dbraw/zinc/17/27/38/398172738.db2.gz VDWVVFCYUAZCSO-MRVPVSSYSA-N 2 0 241.360 0.887 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](C)[NH+](C)C ZINC000649360673 398173319 /nfs/dbraw/zinc/17/33/19/398173319.db2.gz DAILWWUMIXHBSZ-GUBZILKMSA-N 2 0 231.315 0.095 20 0 BCADRP C[C@@H](C(=O)N[C@H]1[C@H](C)CC[NH2+][C@H]1C)[NH+](C)C ZINC000649361848 398175383 /nfs/dbraw/zinc/17/53/83/398175383.db2.gz GRSPHDIVHXDESV-RCWTZXSCSA-N 2 0 227.352 0.439 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[NH+](C)C ZINC000649363997 398177229 /nfs/dbraw/zinc/17/72/29/398177229.db2.gz SNBLSBUZAOIQGM-SDDRHHMPSA-N 2 0 239.363 0.395 20 0 BCADRP CCCCNC(=O)CCN1CCC[C@H]([NH2+]C)C1 ZINC000339898203 398179871 /nfs/dbraw/zinc/17/98/71/398179871.db2.gz GYBJDTZDSBVPJO-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649343923 398160837 /nfs/dbraw/zinc/16/08/37/398160837.db2.gz DYYJKUQZWPXAEW-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000649348350 398161351 /nfs/dbraw/zinc/16/13/51/398161351.db2.gz IRJGTILJGFOWAD-HOSYDEDBSA-N 2 0 237.347 0.480 20 0 BCADRP C[N@H+](CCOCC[NH3+])Cc1cccc(O)c1 ZINC000301013138 349515946 /nfs/dbraw/zinc/51/59/46/349515946.db2.gz GZPZHTVKHNPLAS-UHFFFAOYSA-N 2 0 224.304 0.799 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000649348369 398161542 /nfs/dbraw/zinc/16/15/42/398161542.db2.gz JHTUYAPGDSKJPT-WCQGTBRESA-N 2 0 237.347 0.337 20 0 BCADRP CC(C)(C[NH3+])c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000390194068 398162121 /nfs/dbraw/zinc/16/21/21/398162121.db2.gz OLVPBTUUVPLCIZ-ZETCQYMHSA-N 2 0 210.281 0.730 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[N@@H+]1C1CC1 ZINC000649348482 398162430 /nfs/dbraw/zinc/16/24/30/398162430.db2.gz MBUJQNJZNPJONZ-RPLXWKFWSA-N 2 0 249.358 0.193 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H](C)[NH+](C)C ZINC000390231503 398166993 /nfs/dbraw/zinc/16/69/93/398166993.db2.gz DHFLAVDYCQDNOU-DTWKUNHWSA-N 2 0 201.314 0.036 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)CC[C@@H]1[NH3+] ZINC000576225354 365528690 /nfs/dbraw/zinc/52/86/90/365528690.db2.gz FRCUJEHRQFMVCU-KGYLQXTDSA-N 2 0 247.342 0.882 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[N@H+](C)C1CC1 ZINC000576224803 365528916 /nfs/dbraw/zinc/52/89/16/365528916.db2.gz CPOXWYFGCPXWPC-VHSXEESVSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000576226176 365529170 /nfs/dbraw/zinc/52/91/70/365529170.db2.gz WNBQSMZQINMSTN-CMPLNLGQSA-N 2 0 235.331 0.410 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000576228257 365529982 /nfs/dbraw/zinc/52/99/82/365529982.db2.gz CVRJMLBFWIQYJT-OUAUKWLOSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000390669958 398201001 /nfs/dbraw/zinc/20/10/01/398201001.db2.gz SOUCXRMSIYXURL-GXSJLCMTSA-N 2 0 225.336 0.134 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000446391556 398204490 /nfs/dbraw/zinc/20/44/90/398204490.db2.gz AGLLMHYGVAPDAD-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+][C@@H](C(=O)NCC1=CC[NH2+]CC1)C1CCC1 ZINC000576278682 365547782 /nfs/dbraw/zinc/54/77/82/365547782.db2.gz QKJONGAHGBXZPV-LLVKDONJSA-N 2 0 223.320 0.150 20 0 BCADRP [NH3+][C@H](C(=O)NCC1=CC[NH2+]CC1)C1CCC1 ZINC000576278683 365547924 /nfs/dbraw/zinc/54/79/24/365547924.db2.gz QKJONGAHGBXZPV-NSHDSACASA-N 2 0 223.320 0.150 20 0 BCADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@H]1C[C@H]1C ZINC000576338103 365569121 /nfs/dbraw/zinc/56/91/21/365569121.db2.gz MZEBXQDWJSFUDW-VWYCJHECSA-N 2 0 225.336 0.052 20 0 BCADRP CCC[NH2+]CCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418363834 192028381 /nfs/dbraw/zinc/02/83/81/192028381.db2.gz IOBATAXFEVJOJF-JTQLQIEISA-N 2 0 228.340 0.037 20 0 BCADRP CN(C[C@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000649412601 398215176 /nfs/dbraw/zinc/21/51/76/398215176.db2.gz WWIDQCBKOCXMSE-AAEUAGOBSA-N 2 0 223.364 0.764 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418362254 192028114 /nfs/dbraw/zinc/02/81/14/192028114.db2.gz HNWIREIEYBRUTE-OUAUKWLOSA-N 2 0 240.351 0.036 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC[NH2+][C@@H](C)C2)CC[N@@H+]1C ZINC000647807492 398216354 /nfs/dbraw/zinc/21/63/54/398216354.db2.gz CLCSMRMTGYHJPE-HBNTYKKESA-N 2 0 225.336 0.147 20 0 BCADRP CC1(C)CN(C(=O)[C@@H]2CCCCC[NH2+]2)CC[NH2+]1 ZINC000576373592 365579614 /nfs/dbraw/zinc/57/96/14/365579614.db2.gz DNHIKGMJMIHBLV-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP CN(CC1([NH+](C)C)CCC1)C(=O)NCCC[NH3+] ZINC000418364920 192028318 /nfs/dbraw/zinc/02/83/18/192028318.db2.gz XBDWINRLIQEWRO-UHFFFAOYSA-N 2 0 242.367 0.461 20 0 BCADRP CCCN(CCC[NH+](C)C)C(=O)NCCC[NH3+] ZINC000418364915 192028347 /nfs/dbraw/zinc/02/83/47/192028347.db2.gz XAYRAAJJZWMVTH-UHFFFAOYSA-N 2 0 244.383 0.709 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418396439 192032820 /nfs/dbraw/zinc/03/28/20/192032820.db2.gz BBDGOKQBRUSCEQ-MXWKQRLJSA-N 2 0 242.367 0.493 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418369550 192029387 /nfs/dbraw/zinc/02/93/87/192029387.db2.gz NPLNSDADSFMPMV-JTQLQIEISA-N 2 0 242.367 0.378 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000418374336 192029946 /nfs/dbraw/zinc/02/99/46/192029946.db2.gz SFQWEFZEGPWFFE-MXWKQRLJSA-N 2 0 240.351 0.308 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418378279 192030207 /nfs/dbraw/zinc/03/02/07/192030207.db2.gz ALGFSBRBCGMDBE-ZJUUUORDSA-N 2 0 228.340 0.006 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000418382414 192030461 /nfs/dbraw/zinc/03/04/61/192030461.db2.gz IQUOENMBTULGEW-HBNTYKKESA-N 2 0 242.367 0.282 20 0 BCADRP [NH3+][C@@H]1Cc2ccccc2N(C(=O)C[NH2+]C2CC2)C1 ZINC000576457722 365601374 /nfs/dbraw/zinc/60/13/74/365601374.db2.gz QUGYYFJHYWYZDQ-LLVKDONJSA-N 2 0 245.326 0.655 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418382830 192030732 /nfs/dbraw/zinc/03/07/32/192030732.db2.gz ISZWWKZNKURALB-QWRGUYRKSA-N 2 0 242.367 0.283 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418382831 192030787 /nfs/dbraw/zinc/03/07/87/192030787.db2.gz ISZWWKZNKURALB-WDEREUQCSA-N 2 0 242.367 0.283 20 0 BCADRP [NH3+]C[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000418387593 192031723 /nfs/dbraw/zinc/03/17/23/192031723.db2.gz RDBDRNPWZDUBKW-MNOVXSKESA-N 2 0 240.351 0.165 20 0 BCADRP [NH3+]C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000418387592 192031814 /nfs/dbraw/zinc/03/18/14/192031814.db2.gz RDBDRNPWZDUBKW-GHMZBOCLSA-N 2 0 240.351 0.165 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418402726 192033481 /nfs/dbraw/zinc/03/34/81/192033481.db2.gz OKWJDZQIIIQLFF-QWRGUYRKSA-N 2 0 242.367 0.540 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000418403266 192033562 /nfs/dbraw/zinc/03/35/62/192033562.db2.gz JEODAOVYJNGYFF-GARJFASQSA-N 2 0 242.367 0.348 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000418403253 192033564 /nfs/dbraw/zinc/03/35/64/192033564.db2.gz JEFZGRQRMGENSX-WDEREUQCSA-N 2 0 242.367 0.493 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418402727 192033613 /nfs/dbraw/zinc/03/36/13/192033613.db2.gz OKWJDZQIIIQLFF-WDEREUQCSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418405242 192033965 /nfs/dbraw/zinc/03/39/65/192033965.db2.gz JZFXMPBXCJJIMM-MXWKQRLJSA-N 2 0 242.367 0.398 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)NCC(C)(C)[NH3+] ZINC000418411425 192034068 /nfs/dbraw/zinc/03/40/68/192034068.db2.gz FKBZVCHCFBCLPA-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418417393 192034792 /nfs/dbraw/zinc/03/47/92/192034792.db2.gz VEFFMIXJZQRSBR-GUBZILKMSA-N 2 0 228.340 0.150 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC(C)(C)[NH3+] ZINC000418414778 192034839 /nfs/dbraw/zinc/03/48/39/192034839.db2.gz MAEGFCKJXLINAB-BDAKNGLRSA-N 2 0 228.340 0.021 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CC[C@H]([NH3+])C1 ZINC000418413346 192034843 /nfs/dbraw/zinc/03/48/43/192034843.db2.gz QQVGUKAXHIMOOK-VWYCJHECSA-N 2 0 240.351 0.247 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NCC(C)(C)[NH3+] ZINC000418415491 192034914 /nfs/dbraw/zinc/03/49/14/192034914.db2.gz UQYWSDHGWMRTMH-QMMMGPOBSA-N 2 0 216.329 0.006 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000418413343 192034963 /nfs/dbraw/zinc/03/49/63/192034963.db2.gz QQVGUKAXHIMOOK-HBNTYKKESA-N 2 0 240.351 0.247 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418415662 192035018 /nfs/dbraw/zinc/03/50/18/192035018.db2.gz STGOFTLGQZXRJS-VWYCJHECSA-N 2 0 242.367 0.540 20 0 BCADRP CC(C)([NH3+])CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418413885 192035111 /nfs/dbraw/zinc/03/51/11/192035111.db2.gz KLUFATCIFGRCBR-IUCAKERBSA-N 2 0 228.340 0.293 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418438013 192035871 /nfs/dbraw/zinc/03/58/71/192035871.db2.gz DONIIBUCJABNPK-ZNSHCXBVSA-N 2 0 240.351 0.021 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@@H](C)CCC[NH3+] ZINC000418439357 192035916 /nfs/dbraw/zinc/03/59/16/192035916.db2.gz NNLNBYFHELYHRN-JTQLQIEISA-N 2 0 244.383 0.931 20 0 BCADRP CC(C)([NH3+])CNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418418217 192035329 /nfs/dbraw/zinc/03/53/29/192035329.db2.gz WMHICYYUTJLWGG-LBPRGKRZSA-N 2 0 242.367 0.413 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H](C)CC[NH3+] ZINC000418436436 192035515 /nfs/dbraw/zinc/03/55/15/192035515.db2.gz GUMYUWHJJJZVSI-UWVGGRQHSA-N 2 0 230.356 0.396 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000418446686 192036307 /nfs/dbraw/zinc/03/63/07/192036307.db2.gz ZLFZBPDLACAZFK-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000418442229 192036477 /nfs/dbraw/zinc/03/64/77/192036477.db2.gz JISLEAWEFLATRY-NXEZZACHSA-N 2 0 228.340 0.247 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000418442714 192036481 /nfs/dbraw/zinc/03/64/81/192036481.db2.gz UEWWAAFATBTJAW-SNVBAGLBSA-N 2 0 242.367 0.637 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000432519482 398237492 /nfs/dbraw/zinc/23/74/92/398237492.db2.gz OAAXZDWHKUGDAF-QWRGUYRKSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000576463480 365602310 /nfs/dbraw/zinc/60/23/10/365602310.db2.gz SBVYTCNIRLKRCC-DCAQKATOSA-N 2 0 239.363 0.631 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C)[C@@H](C)[C@@H]1C ZINC000576475413 365605880 /nfs/dbraw/zinc/60/58/80/365605880.db2.gz CXDOKPIRPDBRGQ-AVGNSLFASA-N 2 0 243.395 0.323 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000381266395 398242274 /nfs/dbraw/zinc/24/22/74/398242274.db2.gz UGACKZJWHLSCOT-OPRDCNLKSA-N 2 0 213.325 0.165 20 0 BCADRP CCCCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576481317 365608861 /nfs/dbraw/zinc/60/88/61/365608861.db2.gz UQGGAWDEWWEOBX-GHMZBOCLSA-N 2 0 225.336 0.420 20 0 BCADRP C[N@H+](CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC000094024374 398244466 /nfs/dbraw/zinc/24/44/66/398244466.db2.gz PDSBBBPKPDKPBE-UHFFFAOYSA-N 2 0 241.379 0.250 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC000576516873 365611590 /nfs/dbraw/zinc/61/15/90/365611590.db2.gz DRLYABIZLJYWHH-BJDJZHNGSA-N 2 0 239.363 0.631 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@H](C)C[NH3+] ZINC000418448263 192036944 /nfs/dbraw/zinc/03/69/44/192036944.db2.gz QLCKYAHGYAONRA-BDAKNGLRSA-N 2 0 216.329 0.150 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N(C)CC[NH+](C)C ZINC000418426146 192037103 /nfs/dbraw/zinc/03/71/03/192037103.db2.gz LOXZGMFIGOPVII-NSHDSACASA-N 2 0 244.383 0.563 20 0 BCADRP C[N@H+](CCOCCO)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367210482 398249215 /nfs/dbraw/zinc/24/92/15/398249215.db2.gz DOAHXBLWHACUMK-FUNVUKJBSA-N 2 0 242.363 0.552 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NCC[NH+](C)C ZINC000418430704 192037738 /nfs/dbraw/zinc/03/77/38/192037738.db2.gz VFUQRWBPTYMOSK-UHFFFAOYSA-N 2 0 230.356 0.365 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000576628416 365642396 /nfs/dbraw/zinc/64/23/96/365642396.db2.gz YAQMLPCYOAVXHB-IJLUTSLNSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000381323182 398251842 /nfs/dbraw/zinc/25/18/42/398251842.db2.gz PQGQHKVOHWNXOF-ONGXEEELSA-N 2 0 213.325 0.230 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN(C)CC[NH+](C)C1CC1 ZINC000576644668 365646831 /nfs/dbraw/zinc/64/68/31/365646831.db2.gz KLWXWJHDJCVIEJ-CYBMUJFWSA-N 2 0 243.395 0.325 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@H]1CC[NH2+]C1 ZINC000381472878 398253553 /nfs/dbraw/zinc/25/35/53/398253553.db2.gz PGLOSWZULNHAKX-SRVKXCTJSA-N 2 0 211.353 0.798 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN(C)CC[NH+](C)C1CC1 ZINC000576644669 365649500 /nfs/dbraw/zinc/64/95/00/365649500.db2.gz KLWXWJHDJCVIEJ-ZDUSSCGKSA-N 2 0 243.395 0.325 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000381414019 398256301 /nfs/dbraw/zinc/25/63/01/398256301.db2.gz UHTMLHHKAGSWMU-LPEHRKFASA-N 2 0 213.325 0.038 20 0 BCADRP CN(C(=O)CC(C)(C)[NH3+])[C@@H]1C[NH+]2CCC1CC2 ZINC000382415681 398256350 /nfs/dbraw/zinc/25/63/50/398256350.db2.gz MAAXPMHAVYYAGR-LLVKDONJSA-N 2 0 239.363 0.666 20 0 BCADRP CC[NH2+]CCCNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000576688069 365656899 /nfs/dbraw/zinc/65/68/99/365656899.db2.gz QMIPDRQIYLMEAJ-LLVKDONJSA-N 2 0 242.367 0.427 20 0 BCADRP CC[C@@H]1CN(C(=O)CCC[NH3+])CC[C@H]1[NH3+] ZINC000381494410 398257335 /nfs/dbraw/zinc/25/73/35/398257335.db2.gz ZOXSZIVZOHGLEM-NXEZZACHSA-N 2 0 213.325 0.311 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC000036192246 398257478 /nfs/dbraw/zinc/25/74/78/398257478.db2.gz ZCAINIYBSGLVEA-LBPRGKRZSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H]1C[C@H](NC(=O)CC(C)(C)[NH3+])CC[NH2+]1 ZINC000381442932 398257696 /nfs/dbraw/zinc/25/76/96/398257696.db2.gz ZZFURBTYAFDBRU-DTWKUNHWSA-N 2 0 213.325 0.371 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000576714049 365667672 /nfs/dbraw/zinc/66/76/72/365667672.db2.gz KFAMTJUAJXJLIZ-RNJOBUHISA-N 2 0 244.379 0.797 20 0 BCADRP Cn1cncc1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000291169617 538947190 /nfs/dbraw/zinc/94/71/90/538947190.db2.gz ITXPVDLFIGUNFF-SNVBAGLBSA-N 2 0 222.292 0.131 20 0 BCADRP [NH3+]Cc1cc(C(=O)NCC2([NH3+])CCC2)ccn1 ZINC000576751142 365675959 /nfs/dbraw/zinc/67/59/59/365675959.db2.gz DELAJNWKHPECOS-UHFFFAOYSA-N 2 0 234.303 0.152 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000576753195 365676794 /nfs/dbraw/zinc/67/67/94/365676794.db2.gz CQUDDCXEPKOFCT-GMTAPVOTSA-N 2 0 227.352 0.489 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000576754380 365677054 /nfs/dbraw/zinc/67/70/54/365677054.db2.gz OPYWKKWHJXHEAD-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@](CN)([NH2+]CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000576756044 365678356 /nfs/dbraw/zinc/67/83/56/365678356.db2.gz AUHHCKCWYSGCET-PWSUYJOCSA-N 2 0 211.353 0.703 20 0 BCADRP Cc1cc(C)n(CC[N@H+](C)CCOCC[NH3+])n1 ZINC000386791468 398266272 /nfs/dbraw/zinc/26/62/72/398266272.db2.gz OICRNVXKLSTEMZ-UHFFFAOYSA-N 2 0 240.351 0.407 20 0 BCADRP CCOC[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000381603475 398266483 /nfs/dbraw/zinc/26/64/83/398266483.db2.gz OVTDLFWDNXOODW-VXGBXAGGSA-N 2 0 212.337 0.954 20 0 BCADRP CC(C)([NH3+])CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000381631678 398267868 /nfs/dbraw/zinc/26/78/68/398267868.db2.gz MYIXLAUTQYJIHD-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000381698513 398270214 /nfs/dbraw/zinc/27/02/14/398270214.db2.gz HYYDXOKBEDWKJX-AEJSXWLSSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000381750458 398270659 /nfs/dbraw/zinc/27/06/59/398270659.db2.gz QZQTWPCYUUTSGY-ZJUUUORDSA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])CCSC ZINC000602544552 349588627 /nfs/dbraw/zinc/58/86/27/349588627.db2.gz LLTKRJOCVWFHFS-LPEHRKFASA-N 2 0 245.392 0.324 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000378804536 346838579 /nfs/dbraw/zinc/83/85/79/346838579.db2.gz WCEFKCQNHVCKMA-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP CCOC(=O)CC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000259486193 349574882 /nfs/dbraw/zinc/57/48/82/349574882.db2.gz RUNRQWJTNNDDSE-JTQLQIEISA-N 2 0 214.309 0.610 20 0 BCADRP CS[C@H]1CN(C(=O)C[NH+](C)C)C[C@H]1[NH+](C)C ZINC000344738178 398271004 /nfs/dbraw/zinc/27/10/04/398271004.db2.gz LTWOOQMFHXLLIF-ZJUUUORDSA-N 2 0 245.392 0.052 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000335388715 136235033 /nfs/dbraw/zinc/23/50/33/136235033.db2.gz KJZGAAWFPDHKSM-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC(C)(C)[NH+](C)C ZINC000165351904 361837567 /nfs/dbraw/zinc/83/75/67/361837567.db2.gz NTHFFVAXSFVYIB-RKDXNWHRSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418486253 192041210 /nfs/dbraw/zinc/04/12/10/192041210.db2.gz IDTVPZFBYPKPBI-MWLCHTKSSA-N 2 0 242.367 0.398 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418485818 192041311 /nfs/dbraw/zinc/04/13/11/192041311.db2.gz IEIIFBYAXKRTIF-SNVBAGLBSA-N 2 0 242.367 0.363 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418487147 192041314 /nfs/dbraw/zinc/04/13/14/192041314.db2.gz HVLSCSYOFYMVDR-IUCAKERBSA-N 2 0 216.329 0.021 20 0 BCADRP CCC[NH2+]CCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000418486506 192040873 /nfs/dbraw/zinc/04/08/73/192040873.db2.gz GASPMCSFVXIHFE-SNVBAGLBSA-N 2 0 228.340 0.119 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418488587 192040949 /nfs/dbraw/zinc/04/09/49/192040949.db2.gz KVMIUXFALGHUIC-JQWIXIFHSA-N 2 0 242.367 0.270 20 0 BCADRP CCC[NH2+]CCNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000418491393 192041374 /nfs/dbraw/zinc/04/13/74/192041374.db2.gz RVNOVTPXXDPEGL-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP [NH3+][C@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000418491535 192041384 /nfs/dbraw/zinc/04/13/84/192041384.db2.gz SAXJUQLOFLXSKN-GHMZBOCLSA-N 2 0 240.351 0.165 20 0 BCADRP CCC[NH2+]CCNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000418489279 192041579 /nfs/dbraw/zinc/04/15/79/192041579.db2.gz NCIOLSZJTNLBIE-MNOVXSKESA-N 2 0 242.367 0.378 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418491288 192041696 /nfs/dbraw/zinc/04/16/96/192041696.db2.gz RRCCCJNWQVARKK-MIMYLULJSA-N 2 0 240.351 0.021 20 0 BCADRP CCC[NH2+]CCNC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000418492819 192041720 /nfs/dbraw/zinc/04/17/20/192041720.db2.gz WFIFSNLZPKNPDX-MNOVXSKESA-N 2 0 242.367 0.365 20 0 BCADRP CCC[NH2+]CCNC(=O)NC[C@@H]([NH3+])CC ZINC000418490735 192041736 /nfs/dbraw/zinc/04/17/36/192041736.db2.gz PYDYJHNGKRDKMK-VIFPVBQESA-N 2 0 216.329 0.023 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H](C)C[NH3+] ZINC000418490856 192041890 /nfs/dbraw/zinc/04/18/90/192041890.db2.gz NLJBQFNJFWZFKA-MNOVXSKESA-N 2 0 244.383 0.596 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@H+](C)C1CC1 ZINC000165436586 361840136 /nfs/dbraw/zinc/84/01/36/361840136.db2.gz KEDFNDNBRSLJEN-IUCAKERBSA-N 2 0 213.325 0.180 20 0 BCADRP CCC[NH2+]CCNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000418493546 192042119 /nfs/dbraw/zinc/04/21/19/192042119.db2.gz YSHKHDJSAKCTOU-GHMZBOCLSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@H]([NH2+]CCOCCO)C1CC[NH+](C)CC1 ZINC000037221645 538962024 /nfs/dbraw/zinc/96/20/24/538962024.db2.gz RKVWXSWOVXLYMA-NSHDSACASA-N 2 0 230.352 0.315 20 0 BCADRP O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000583934278 342728373 /nfs/dbraw/zinc/72/83/73/342728373.db2.gz YGECYMIXZWNGCU-GHMZBOCLSA-N 2 0 225.336 0.387 20 0 BCADRP [NH3+]CCCCC(=O)NC1(C[NH3+])CCCC1 ZINC000309599401 342731981 /nfs/dbraw/zinc/73/19/81/342731981.db2.gz JNYGHNMBNDZCAV-UHFFFAOYSA-N 2 0 213.325 0.503 20 0 BCADRP CC(C)[C@@H](C(=O)NCCCC[NH3+])[C@H](C)[NH3+] ZINC000399498721 342735468 /nfs/dbraw/zinc/73/54/68/342735468.db2.gz IBECRIRFCHIQFH-VHSXEESVSA-N 2 0 215.341 0.461 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000335604996 136235996 /nfs/dbraw/zinc/23/59/96/136235996.db2.gz FBBXZXNCIPGWSL-GHMZBOCLSA-N 2 0 240.351 0.261 20 0 BCADRP CC(C)[C@H](C(=O)NC1CC[NH+](C)CC1)[C@@H](C)[NH3+] ZINC000399628574 342739375 /nfs/dbraw/zinc/73/93/75/342739375.db2.gz FIXKPTGQTRLGNN-PWSUYJOCSA-N 2 0 241.379 0.816 20 0 BCADRP CCN(C)C(=O)[C@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000231847880 342740004 /nfs/dbraw/zinc/74/00/04/342740004.db2.gz LMOYVHHFQAVGEP-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP CCN(C)C(=O)[C@@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000231847878 342740028 /nfs/dbraw/zinc/74/00/28/342740028.db2.gz LMOYVHHFQAVGEP-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418453739 192043128 /nfs/dbraw/zinc/04/31/28/192043128.db2.gz YOPUDXXHNRHNIT-GHMZBOCLSA-N 2 0 242.367 0.396 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[C@H]([NH3+])C1 ZINC000418453298 192042931 /nfs/dbraw/zinc/04/29/31/192042931.db2.gz XXESWMYNJWPKOA-WDEREUQCSA-N 2 0 242.367 0.493 20 0 BCADRP C[NH2+]CCCC(=O)NCC1=CC[NH2+]CC1 ZINC000309641208 342771714 /nfs/dbraw/zinc/77/17/14/342771714.db2.gz OQGCIMBAFSUFNL-UHFFFAOYSA-N 2 0 211.309 0.022 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](C)[NH2+]CC ZINC000418453162 192043021 /nfs/dbraw/zinc/04/30/21/192043021.db2.gz YSVVBCHJSGIIFU-MNOVXSKESA-N 2 0 244.383 0.801 20 0 BCADRP C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC000630003179 361885979 /nfs/dbraw/zinc/88/59/79/361885979.db2.gz FDERMNUJWNFSNR-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H](C)C[NH3+] ZINC000418451580 192043223 /nfs/dbraw/zinc/04/32/23/192043223.db2.gz WCLYCOHACLEOJC-IUCAKERBSA-N 2 0 216.329 0.006 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000418453296 192043267 /nfs/dbraw/zinc/04/32/67/192043267.db2.gz XXESWMYNJWPKOA-MNOVXSKESA-N 2 0 242.367 0.493 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NCC2([NH3+])CCC2)C1 ZINC000418505833 192045069 /nfs/dbraw/zinc/04/50/69/192045069.db2.gz FFBRZHNSIJZACS-ZJUUUORDSA-N 2 0 240.351 0.437 20 0 BCADRP CN(CC1C[NH+](C)C1)C(=O)C[N@H+](C)C1CCC1 ZINC000630018587 361899885 /nfs/dbraw/zinc/89/98/85/361899885.db2.gz GEZRBMRAJOCZHD-UHFFFAOYSA-N 2 0 239.363 0.491 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C)C[NH3+])C[C@H]1C ZINC000418509040 192044522 /nfs/dbraw/zinc/04/45/22/192044522.db2.gz ATXJBCXALGQJGT-MXWKQRLJSA-N 2 0 242.367 0.458 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC1CC[NH2+]CC1 ZINC000630047872 361915756 /nfs/dbraw/zinc/91/57/56/361915756.db2.gz KCVDNJKZJQRBND-GXSJLCMTSA-N 2 0 240.351 0.036 20 0 BCADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH3+])C1 ZINC000335438629 398288264 /nfs/dbraw/zinc/28/82/64/398288264.db2.gz TUYJVEMXPNLSOC-MNOVXSKESA-N 2 0 225.336 0.278 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)C[NH3+])C1 ZINC000418512733 192045787 /nfs/dbraw/zinc/04/57/87/192045787.db2.gz LMFJNJJPSXYXGV-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP Cc1c[nH+]ccc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000624683964 342819289 /nfs/dbraw/zinc/81/92/89/342819289.db2.gz XKVMINHQMFJBRU-LLVKDONJSA-N 2 0 221.304 0.290 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417817810 398293695 /nfs/dbraw/zinc/29/36/95/398293695.db2.gz ROOQWEVSLULDRQ-WDEREUQCSA-N 2 0 244.383 0.753 20 0 BCADRP CCc1cc(NCC[N@@H+]2CC[C@H](O)C2)cc[nH+]1 ZINC000624775798 342828946 /nfs/dbraw/zinc/82/89/46/342828946.db2.gz GMFYOTHBGJBBLM-ZDUSSCGKSA-N 2 0 235.331 0.544 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417822069 398294387 /nfs/dbraw/zinc/29/43/87/398294387.db2.gz JAHJURALENNSES-WISYIIOYSA-N 2 0 237.347 0.052 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)NC[C@@H](C)C[NH3+] ZINC000417822337 398294404 /nfs/dbraw/zinc/29/44/04/398294404.db2.gz WXYATDDMMVQYJU-NSHDSACASA-N 2 0 244.383 0.612 20 0 BCADRP C[NH+](C)CCCNC(=O)C[N@H+](C)C1CCC1 ZINC000193360951 539005169 /nfs/dbraw/zinc/00/51/69/539005169.db2.gz IYMGYPYRDXTLFO-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335628203 136241233 /nfs/dbraw/zinc/24/12/33/136241233.db2.gz YAZPHNUMOCVLRK-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCCn2cncn2)CC[N@@H+]1C ZINC000381756939 539007237 /nfs/dbraw/zinc/00/72/37/539007237.db2.gz GGWMMLGLFQDSCO-VXGBXAGGSA-N 2 0 237.351 0.741 20 0 BCADRP C[C@@]1(C(=O)N2CC[NH2+]C(C)(C)C2)CC[NH2+]C1 ZINC000335626417 136240905 /nfs/dbraw/zinc/24/09/05/136240905.db2.gz DYTLGJDOSCRMMJ-GFCCVEGCSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H](C)C[NH3+] ZINC000418518408 192046523 /nfs/dbraw/zinc/04/65/23/192046523.db2.gz XNLCKSQWOPNMCV-ZJUUUORDSA-N 2 0 230.356 0.348 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H](C)C[NH3+] ZINC000418518407 192046587 /nfs/dbraw/zinc/04/65/87/192046587.db2.gz XNLCKSQWOPNMCV-NXEZZACHSA-N 2 0 230.356 0.348 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000418521182 192046713 /nfs/dbraw/zinc/04/67/13/192046713.db2.gz IBZPLCACABIERM-BBBLOLIVSA-N 2 0 228.340 0.116 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCC[NH3+])C1 ZINC000417818736 398293792 /nfs/dbraw/zinc/29/37/92/398293792.db2.gz BHRKDEINYHYEQF-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H](C)CC[NH3+] ZINC000418527590 192047506 /nfs/dbraw/zinc/04/75/06/192047506.db2.gz ONZWFDBSEJAWMR-MXWKQRLJSA-N 2 0 242.367 0.635 20 0 BCADRP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000087646619 259325328 /nfs/dbraw/zinc/32/53/28/259325328.db2.gz LALQJOHYSQZCDC-VXGBXAGGSA-N 2 0 222.336 0.861 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418543616 192049989 /nfs/dbraw/zinc/04/99/89/192049989.db2.gz PDAJJCSPVCPTKX-JQWIXIFHSA-N 2 0 242.367 0.413 20 0 BCADRP CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418558914 192050486 /nfs/dbraw/zinc/05/04/86/192050486.db2.gz CDCMYDDMGKLORP-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CC[NH+](C)C ZINC000418556406 192050530 /nfs/dbraw/zinc/05/05/30/192050530.db2.gz OVWVWBFONPMCHE-WDEREUQCSA-N 2 0 242.367 0.187 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418559358 192050573 /nfs/dbraw/zinc/05/05/73/192050573.db2.gz CHTGYWYKRGSXNE-VHSXEESVSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418555812 192050585 /nfs/dbraw/zinc/05/05/85/192050585.db2.gz ACZDKHMZEPINKH-WCBMZHEXSA-N 2 0 228.340 0.150 20 0 BCADRP C[C@H]([NH2+]CCCn1ccnn1)[C@@H]1CCCC[NH2+]1 ZINC000386061016 342908261 /nfs/dbraw/zinc/90/82/61/342908261.db2.gz XGEGLCNOHCINKL-RYUDHWBXSA-N 2 0 237.351 0.788 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000418562376 192051080 /nfs/dbraw/zinc/05/10/80/192051080.db2.gz GCTRARXDSMOJPM-LPEHRKFASA-N 2 0 228.340 0.102 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418571590 192052085 /nfs/dbraw/zinc/05/20/85/192052085.db2.gz DOORDZFGUGIXJU-IVZWLZJFSA-N 2 0 228.340 0.293 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CCn2cc(C)cn2)C1 ZINC000234407163 342924880 /nfs/dbraw/zinc/92/48/80/342924880.db2.gz XLAWBWZULRKRHT-LBPRGKRZSA-N 2 0 222.336 0.733 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000234265090 342919405 /nfs/dbraw/zinc/91/94/05/342919405.db2.gz WKXHQBZVEMGAGR-RYUDHWBXSA-N 3 0 229.368 0.424 20 0 BCADRP c1cn(CC[N@@H+]2CCCC3(C2)OCCO3)cn1 ZINC000134085313 398328611 /nfs/dbraw/zinc/32/86/11/398328611.db2.gz ZZJCBMZPCQQWRR-UHFFFAOYSA-N 2 0 237.303 0.722 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000418605782 192054471 /nfs/dbraw/zinc/05/44/71/192054471.db2.gz UNDZQORKVOBRGS-MNOVXSKESA-N 2 0 242.367 0.378 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000418605781 192054584 /nfs/dbraw/zinc/05/45/84/192054584.db2.gz UNDZQORKVOBRGS-GHMZBOCLSA-N 2 0 242.367 0.378 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@H]1CC[NH2+]1)c1ccccc1 ZINC000580309915 346890096 /nfs/dbraw/zinc/89/00/96/346890096.db2.gz RPLDTRBRVHTEAE-GHMZBOCLSA-N 2 0 219.288 0.165 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000418608778 192055814 /nfs/dbraw/zinc/05/58/14/192055814.db2.gz ZAZDHOKVJNOINI-MXWKQRLJSA-N 2 0 242.367 0.363 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000381283782 398339944 /nfs/dbraw/zinc/33/99/44/398339944.db2.gz YYXZIYHYZXFPNO-VHSXEESVSA-N 2 0 213.325 0.167 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000381462472 398344284 /nfs/dbraw/zinc/34/42/84/398344284.db2.gz LMYAIIPLTZEFNI-LPEHRKFASA-N 2 0 213.325 0.310 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000381462470 398344344 /nfs/dbraw/zinc/34/43/44/398344344.db2.gz LMYAIIPLTZEFNI-KXUCPTDWSA-N 2 0 213.325 0.310 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418607054 192056234 /nfs/dbraw/zinc/05/62/34/192056234.db2.gz ZZBOVEUQDRGJFL-WDEREUQCSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000580314400 346896768 /nfs/dbraw/zinc/89/67/68/346896768.db2.gz PYIJYOQGLZPGPF-KXUCPTDWSA-N 2 0 213.325 0.215 20 0 BCADRP CC1(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)C[NH2+]C1 ZINC000580314424 346896816 /nfs/dbraw/zinc/89/68/16/346896816.db2.gz RPODLWLNZZWBHM-NSHDSACASA-N 2 0 245.326 0.513 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000580312931 346897149 /nfs/dbraw/zinc/89/71/49/346897149.db2.gz PBDNUUOFFOUJLK-NAKRPEOUSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCCN2CCOCC2)C1 ZINC000351849740 136257568 /nfs/dbraw/zinc/25/75/68/136257568.db2.gz HAWZFJMUTOTTTH-CHWSQXEVSA-N 2 0 241.379 0.378 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000309812949 343017006 /nfs/dbraw/zinc/01/70/06/343017006.db2.gz UQXASUYEYNIZBH-LDYMZIIASA-N 2 0 213.325 0.357 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)CCCC[NH3+] ZINC000308830594 259340569 /nfs/dbraw/zinc/34/05/69/259340569.db2.gz GBXMCPRVWLCQIQ-SECBINFHSA-N 2 0 201.314 0.230 20 0 BCADRP COCC[N@H+](C)CCCNC(=O)[C@@H]([NH3+])C(C)C ZINC000262151454 536791956 /nfs/dbraw/zinc/79/19/56/536791956.db2.gz RPPVUUKJIJJHAX-NSHDSACASA-N 2 0 245.367 0.054 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](CO)C1 ZINC000309243419 259342807 /nfs/dbraw/zinc/34/28/07/259342807.db2.gz LHDDLKFHYCTJKE-NEPJUHHUSA-N 2 0 230.352 0.003 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@H](CO)C1 ZINC000309243421 259342855 /nfs/dbraw/zinc/34/28/55/259342855.db2.gz LHDDLKFHYCTJKE-RYUDHWBXSA-N 2 0 230.352 0.003 20 0 BCADRP C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000235455139 343038390 /nfs/dbraw/zinc/03/83/90/343038390.db2.gz GIOFIMSFRWTMTO-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000309500758 259343489 /nfs/dbraw/zinc/34/34/89/259343489.db2.gz UWRFHCFFCLPNGE-KOLCDFICSA-N 2 0 213.325 0.230 20 0 BCADRP O=c1c2c([n-]n1CCCn1ccnc1)CC[NH2+]C2 ZINC000634633727 343046795 /nfs/dbraw/zinc/04/67/95/343046795.db2.gz DTRQAWUXUWSRMX-JTQLQIEISA-N 2 0 247.302 0.081 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@H]([NH+](C)C)C1 ZINC000383813090 349792887 /nfs/dbraw/zinc/79/28/87/349792887.db2.gz VRZYXLTZWSOEPZ-STQMWFEESA-N 2 0 243.395 0.325 20 0 BCADRP C[C@H]1CCC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000139807291 343067502 /nfs/dbraw/zinc/06/75/02/343067502.db2.gz NZVDIKIWCPQKKQ-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](CCCO)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000384344585 343092134 /nfs/dbraw/zinc/09/21/34/343092134.db2.gz CTRBQLRSXOCZGI-CHWSQXEVSA-N 2 0 244.379 0.441 20 0 BCADRP C[C@@H](CCCO)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000384344587 343092154 /nfs/dbraw/zinc/09/21/54/343092154.db2.gz CTRBQLRSXOCZGI-QWHCGFSZSA-N 2 0 244.379 0.441 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236609367 343103615 /nfs/dbraw/zinc/10/36/15/343103615.db2.gz KCPJNVGWXHCCGI-JTQLQIEISA-N 2 0 227.352 0.477 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC000236648785 343105716 /nfs/dbraw/zinc/10/57/16/343105716.db2.gz GQZSBDHBMXWYTC-NSHDSACASA-N 2 0 227.352 0.557 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)C[NH2+]C1CC1 ZINC000236711675 343108402 /nfs/dbraw/zinc/10/84/02/343108402.db2.gz JYVVSXUJPPWPQK-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236749455 343109966 /nfs/dbraw/zinc/10/99/66/343109966.db2.gz VPLCNAXDHKJJTG-QWRGUYRKSA-N 2 0 227.352 0.476 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000237067135 343122272 /nfs/dbraw/zinc/12/22/72/343122272.db2.gz MGLYDUHMNSNTNF-QWRGUYRKSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)CC[NH2+]C1CC1 ZINC000049559756 343111847 /nfs/dbraw/zinc/11/18/47/343111847.db2.gz DJAZUWGMHWBRFO-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000418687778 192060703 /nfs/dbraw/zinc/06/07/03/192060703.db2.gz AJUCJIZNWDPMAE-QEYWKRMJSA-N 2 0 228.340 0.114 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000237289497 343132043 /nfs/dbraw/zinc/13/20/43/343132043.db2.gz BZSADJMJIXCESQ-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000237421214 343138991 /nfs/dbraw/zinc/13/89/91/343138991.db2.gz XJFCSWPWHACEBG-GVXVVHGQSA-N 2 0 239.363 0.572 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000322804344 323036726 /nfs/dbraw/zinc/03/67/26/323036726.db2.gz RINFOGGGTRFZTP-IVZWLZJFSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000237461213 343143061 /nfs/dbraw/zinc/14/30/61/343143061.db2.gz QKVXIASCOQQOPB-HBNTYKKESA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000092957453 343150765 /nfs/dbraw/zinc/15/07/65/343150765.db2.gz DCSYDWVBKSIEFD-SDDRHHMPSA-N 2 0 239.363 0.537 20 0 BCADRP [NH3+]CCCCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093677447 343151921 /nfs/dbraw/zinc/15/19/21/343151921.db2.gz RZLCTMLDSOQFDX-YOGCLGLASA-N 2 0 239.363 0.762 20 0 BCADRP CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000050465349 343153042 /nfs/dbraw/zinc/15/30/42/343153042.db2.gz QYWSOUAXZLFIHN-MNOVXSKESA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)[C@H]([NH3+])c1ccccc1 ZINC000237693144 343158180 /nfs/dbraw/zinc/15/81/80/343158180.db2.gz WFNAPAKLWLVHNH-RTXFEEFZSA-N 2 0 247.342 0.882 20 0 BCADRP COc1ccc(CN2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000122443307 343159621 /nfs/dbraw/zinc/15/96/21/343159621.db2.gz GIQJPCVNNFYQPU-CYBMUJFWSA-N 2 0 249.358 0.770 20 0 BCADRP C[C@H](NC(=O)C[NH2+]C1CC1)C(C)(C)C[NH+](C)C ZINC000237630862 343160886 /nfs/dbraw/zinc/16/08/86/343160886.db2.gz VHUHRRMDKKHXLG-JTQLQIEISA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCN1CCOCC1 ZINC000133614990 343185379 /nfs/dbraw/zinc/18/53/79/343185379.db2.gz NBGRMQFBHCHYAC-NWDGAFQWSA-N 2 0 227.352 0.130 20 0 BCADRP C[C@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC000125148928 343165752 /nfs/dbraw/zinc/16/57/52/343165752.db2.gz LOBPINXKZZHFMC-JTQLQIEISA-N 2 0 200.326 0.689 20 0 BCADRP C[NH+](C)C1(CNC(=O)C[NH2+]C2CC2)CCCC1 ZINC000125836905 343167720 /nfs/dbraw/zinc/16/77/20/343167720.db2.gz QBUZXCFMQMSGDO-UHFFFAOYSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000126956436 343172220 /nfs/dbraw/zinc/17/22/20/343172220.db2.gz VVEHRYQCSVLVRC-KXUCPTDWSA-N 2 0 213.325 0.132 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000129080526 343176046 /nfs/dbraw/zinc/17/60/46/343176046.db2.gz XPYQBTPMGIMFMN-IJLUTSLNSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H](NC(=O)N1CCC[C@@H]([NH+](C)C)C1)[C@H](C)[NH3+] ZINC000418694033 192061064 /nfs/dbraw/zinc/06/10/64/192061064.db2.gz HLSUUKZIHPZAMC-HBNTYKKESA-N 2 0 242.367 0.458 20 0 BCADRP C[C@@H](CNC(=O)C(C)(C)C[NH3+])[NH+]1CCCC1 ZINC000160930707 343203913 /nfs/dbraw/zinc/20/39/13/343203913.db2.gz IRAFQTJCWCQGNA-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000161051366 343204282 /nfs/dbraw/zinc/20/42/82/343204282.db2.gz KOPSKGWPDGQQHV-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP COC[C@H](C)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000163553707 343206900 /nfs/dbraw/zinc/20/69/00/343206900.db2.gz ZTRNBBWYRMZPQO-VWYCJHECSA-N 2 0 200.326 0.938 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NCCC[NH3+] ZINC000168060704 343209808 /nfs/dbraw/zinc/20/98/08/343209808.db2.gz PYTVRJVBPHWGPR-UHFFFAOYSA-N 2 0 201.314 0.217 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000580549945 365740419 /nfs/dbraw/zinc/74/04/19/365740419.db2.gz VVZHBBAMHWCCRI-UTLUCORTSA-N 2 0 245.392 0.263 20 0 BCADRP C[N@H+](CCC[NH3+])Cc1ccc(C(N)=O)cc1 ZINC000133220983 343189602 /nfs/dbraw/zinc/18/96/02/343189602.db2.gz IDUCVUVEHVMJDV-UHFFFAOYSA-N 2 0 221.304 0.566 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000087471799 136281417 /nfs/dbraw/zinc/28/14/17/136281417.db2.gz FNRJDCMZKKFZHC-LBPRGKRZSA-N 2 0 227.352 0.444 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@H](C)C(=O)OC ZINC000087471990 136281581 /nfs/dbraw/zinc/28/15/81/136281581.db2.gz GTFHLPITAUNHMY-VIFPVBQESA-N 2 0 202.298 0.337 20 0 BCADRP C[NH2+]CCCN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000087472167 136281614 /nfs/dbraw/zinc/28/16/14/136281614.db2.gz MGBKNRQFGGENLZ-LBPRGKRZSA-N 2 0 211.353 0.764 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000043589532 343230110 /nfs/dbraw/zinc/23/01/10/343230110.db2.gz VXNRLHCJGXUYCP-NSHDSACASA-N 2 0 225.336 0.198 20 0 BCADRP CC[NH+]1CCC(NC(=O)C2([NH3+])CCC2)CC1 ZINC000088050654 136284141 /nfs/dbraw/zinc/28/41/41/136284141.db2.gz UQNHGCYGFCWKMF-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000088091219 136284358 /nfs/dbraw/zinc/28/43/58/136284358.db2.gz ZCHJCGYUQQDBTN-OUAUKWLOSA-N 2 0 225.336 0.276 20 0 BCADRP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688111 343247580 /nfs/dbraw/zinc/24/75/80/343247580.db2.gz IMENBQSFIUQHSQ-GRYCIOLGSA-N 2 0 238.331 0.086 20 0 BCADRP CSCCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000069001421 343256345 /nfs/dbraw/zinc/25/63/45/343256345.db2.gz SYYXRFYJMZBODW-NSHDSACASA-N 2 0 232.393 0.786 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000121333181 343264914 /nfs/dbraw/zinc/26/49/14/343264914.db2.gz HZBMMSYYVDRPJX-VXGBXAGGSA-N 2 0 241.379 0.738 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000340083592 136285984 /nfs/dbraw/zinc/28/59/84/136285984.db2.gz UTSIXSIKPSZILP-QJPTWQEYSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000340083161 136286038 /nfs/dbraw/zinc/28/60/38/136286038.db2.gz QHKOOAJDVFKJEC-IJLUTSLNSA-N 2 0 241.379 0.851 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000340083164 136286043 /nfs/dbraw/zinc/28/60/43/136286043.db2.gz QHKOOAJDVFKJEC-TUAOUCFPSA-N 2 0 241.379 0.851 20 0 BCADRP C[C@@H](O)C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000036908617 343327550 /nfs/dbraw/zinc/32/75/50/343327550.db2.gz IOZAKVVUHSCGGL-DBIOUOCHSA-N 2 0 200.326 0.686 20 0 BCADRP Cc1nccn1CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000348750791 136296828 /nfs/dbraw/zinc/29/68/28/136296828.db2.gz PTOJJDSSTAGJJQ-BETUJISGSA-N 2 0 234.347 0.733 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000335619755 136297024 /nfs/dbraw/zinc/29/70/24/136297024.db2.gz SJHXIKQXDUKOTC-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000584047853 343306384 /nfs/dbraw/zinc/30/63/84/343306384.db2.gz JACIUFSIWATHGM-LPEHRKFASA-N 2 0 227.352 0.474 20 0 BCADRP CC1(C)CN(C(=O)[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000335627363 136299650 /nfs/dbraw/zinc/29/96/50/136299650.db2.gz QCPNVAVKKAUPIL-SNVBAGLBSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C2(C)C[NH2+]C2)CC[N@@H+]1C ZINC000335648361 136304390 /nfs/dbraw/zinc/30/43/90/136304390.db2.gz GDNFYBRURYNSIX-VHSXEESVSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(CC(=O)N(C)C2CC2)C1 ZINC000166210744 136305370 /nfs/dbraw/zinc/30/53/70/136305370.db2.gz YVQCNCRSEFLWSZ-NXEZZACHSA-N 2 0 225.336 0.276 20 0 BCADRP O=C(C[C@@H]1CC[NH2+]C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000335652785 136305535 /nfs/dbraw/zinc/30/55/35/136305535.db2.gz BBBQZENWAVTRSK-IUCAKERBSA-N 2 0 247.289 0.099 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000335652786 136305557 /nfs/dbraw/zinc/30/55/57/136305557.db2.gz BBBQZENWAVTRSK-RKDXNWHRSA-N 2 0 247.289 0.099 20 0 BCADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000335652874 136305607 /nfs/dbraw/zinc/30/56/07/136305607.db2.gz CRNBNNALPCCGCM-RKDXNWHRSA-N 2 0 247.289 0.099 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000335654719 136306235 /nfs/dbraw/zinc/30/62/35/136306235.db2.gz ZVFFVOWUKWSUCH-SCZZXKLOSA-N 2 0 247.289 0.099 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000335654040 136306299 /nfs/dbraw/zinc/30/62/99/136306299.db2.gz PZUNKGDIDCYLSZ-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC(=O)C2([NH3+])CCC2)C1 ZINC000335656775 136306568 /nfs/dbraw/zinc/30/65/68/136306568.db2.gz PEXBYUWMDWTWQT-IUCAKERBSA-N 2 0 211.309 0.254 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CC12CC[NH2+]CC2 ZINC000335666022 136310850 /nfs/dbraw/zinc/31/08/50/136310850.db2.gz SUEMIFJLWRPNFW-QWRGUYRKSA-N 2 0 237.347 0.244 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000335661547 136315288 /nfs/dbraw/zinc/31/52/88/136315288.db2.gz FZNDKWAYXHSINC-MNOVXSKESA-N 2 0 239.363 0.892 20 0 BCADRP [NH3+][C@H]1CCC[C@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000335662184 136315570 /nfs/dbraw/zinc/31/55/70/136315570.db2.gz FZNDKWAYXHSINC-QWRGUYRKSA-N 2 0 239.363 0.892 20 0 BCADRP COC(=O)CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876220 349806841 /nfs/dbraw/zinc/80/68/41/349806841.db2.gz GCMQOWBUMBBUOI-UHFFFAOYSA-N 2 0 240.347 0.967 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000349084890 136322564 /nfs/dbraw/zinc/32/25/64/136322564.db2.gz ZKFCCEJRKDYNNV-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC ZINC000349142046 136324007 /nfs/dbraw/zinc/32/40/07/136324007.db2.gz HBPLAUKHQHMWIM-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CN(C[C@@H](O)C[NH2+]CC(C)(C)CCO)C1CC1 ZINC000310238013 343399226 /nfs/dbraw/zinc/39/92/26/343399226.db2.gz IMOQUCGOQAWQFK-LBPRGKRZSA-N 2 0 244.379 0.440 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[C@@H](C)[NH3+])C1 ZINC000569967369 323045924 /nfs/dbraw/zinc/04/59/24/323045924.db2.gz LMJVELRDXKKYEQ-GRYCIOLGSA-N 2 0 241.379 0.674 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000040809133 343409345 /nfs/dbraw/zinc/40/93/45/343409345.db2.gz OMRQEMQQXCMUSB-JQWIXIFHSA-N 2 0 235.331 0.753 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000040827140 343410036 /nfs/dbraw/zinc/41/00/36/343410036.db2.gz SVYOTDPACJPRGH-RKDXNWHRSA-N 2 0 241.360 0.814 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)CC1CC[NH2+]CC1 ZINC000151796996 343415515 /nfs/dbraw/zinc/41/55/15/343415515.db2.gz LYMJMKSPCQLHBF-UHFFFAOYSA-N 2 0 241.379 0.880 20 0 BCADRP CCOC(=O)[C@H]1CCCCN1CCC[NH3+] ZINC000034623190 136319593 /nfs/dbraw/zinc/31/95/93/136319593.db2.gz YTFYFWODGCAORH-SNVBAGLBSA-N 2 0 214.309 0.753 20 0 BCADRP C[C@@H](NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])[C@H](C)[NH3+] ZINC000418706930 192063075 /nfs/dbraw/zinc/06/30/75/192063075.db2.gz SVNLXAWLEQNXDY-YTWAJWBKSA-N 2 0 242.367 0.491 20 0 BCADRP O=C([C@H]1CCC[NH2+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335732687 136349271 /nfs/dbraw/zinc/34/92/71/136349271.db2.gz MQUYIFNRPKMUSV-YPMHNXCESA-N 2 0 237.347 0.341 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCCC1 ZINC000335701472 136333931 /nfs/dbraw/zinc/33/39/31/136333931.db2.gz MLODXYOHWFMSTN-WDEREUQCSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@H]1CC[N@H+](C)CCN1Cc1cncn1C ZINC000335706087 136335658 /nfs/dbraw/zinc/33/56/58/136335658.db2.gz IOZCEOHPXPIECY-NSHDSACASA-N 2 0 222.336 0.946 20 0 BCADRP COC[C@@]1(C[NH2+]CC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000576992494 365745737 /nfs/dbraw/zinc/74/57/37/365745737.db2.gz QFEYUOKDSQJDEG-ZDUSSCGKSA-N 3 0 241.379 0.344 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH3+])C1 ZINC000262671776 136374605 /nfs/dbraw/zinc/37/46/05/136374605.db2.gz OVEVWMPZLNNPSB-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H](NC(=O)C(C)(C)[NH3+])C(C)(C)C[NH+](C)C ZINC000262673555 136374685 /nfs/dbraw/zinc/37/46/85/136374685.db2.gz PZNFFPYSRQVTBR-SECBINFHSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@H](NC(=O)C(C)(C)[NH3+])C(C)(C)C[NH+](C)C ZINC000262673556 136374743 /nfs/dbraw/zinc/37/47/43/136374743.db2.gz PZNFFPYSRQVTBR-VIFPVBQESA-N 2 0 229.368 0.816 20 0 BCADRP COC(=O)[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000082475159 343444361 /nfs/dbraw/zinc/44/43/61/343444361.db2.gz HUMJUWSRJKZRDS-BDAKNGLRSA-N 2 0 214.309 0.607 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH3+])CC1 ZINC000083346706 343481557 /nfs/dbraw/zinc/48/15/57/343481557.db2.gz UPDBUKBQHGEESM-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000570066441 323049185 /nfs/dbraw/zinc/04/91/85/323049185.db2.gz VULXSUAVKVCFCC-JTQLQIEISA-N 2 0 229.368 0.864 20 0 BCADRP COC[C@@H](C)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000379941978 365756032 /nfs/dbraw/zinc/75/60/32/365756032.db2.gz ZEXVHYUWKDVWPG-RYUDHWBXSA-N 2 0 212.337 0.954 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC)C[C@@H]1C ZINC000310486448 343509710 /nfs/dbraw/zinc/50/97/10/343509710.db2.gz DZZIUBSZTOJVJC-RWMBFGLXSA-N 2 0 244.379 0.798 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)C1([NH3+])CC1 ZINC000083833802 343503718 /nfs/dbraw/zinc/50/37/18/343503718.db2.gz VWCTYLIQWFYCOY-UHFFFAOYSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]([NH2+]CC1COC1)C1CC[NH+](C)CC1 ZINC000624234003 343571496 /nfs/dbraw/zinc/57/14/96/343571496.db2.gz MFJIVFVILQCPKZ-SNVBAGLBSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cnnn1C ZINC000577026126 365773882 /nfs/dbraw/zinc/77/38/82/365773882.db2.gz ITJZORMDUZQACS-JQWIXIFHSA-N 2 0 237.351 0.587 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)NCC[C@@H]1CCC[NH2+]C1 ZINC000152808534 343604163 /nfs/dbraw/zinc/60/41/63/343604163.db2.gz GTKXJRDWMDELQR-RYUDHWBXSA-N 2 0 239.363 0.634 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)NCC[C@H]1CCC[NH2+]C1 ZINC000152808430 343604446 /nfs/dbraw/zinc/60/44/46/343604446.db2.gz GTKXJRDWMDELQR-NEPJUHHUSA-N 2 0 239.363 0.634 20 0 BCADRP CN(C(=O)C1CC[NH2+]CC1)[C@@H](C[NH3+])C1CC1 ZINC000580563443 365781216 /nfs/dbraw/zinc/78/12/16/365781216.db2.gz UVMSMRLWGDGIKD-NSHDSACASA-N 2 0 225.336 0.182 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C(C)C)CC1 ZINC000379994566 365786486 /nfs/dbraw/zinc/78/64/86/365786486.db2.gz VGWHDOAGFVCHKJ-ZDUSSCGKSA-N 2 0 243.395 0.325 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000086932299 343632592 /nfs/dbraw/zinc/63/25/92/343632592.db2.gz MHILTEGARHRASF-IVZWLZJFSA-N 2 0 211.309 0.029 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000516652174 259367673 /nfs/dbraw/zinc/36/76/73/259367673.db2.gz URQIZYGTWXIMGF-NSHDSACASA-N 2 0 225.336 0.339 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000557207950 343669777 /nfs/dbraw/zinc/66/97/77/343669777.db2.gz ISSQNEOCCKKFQD-SNVBAGLBSA-N 2 0 228.340 0.023 20 0 BCADRP C[N@@H+]1CCCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000088050179 343698668 /nfs/dbraw/zinc/69/86/68/343698668.db2.gz VTRGBYCABCLNNV-UHFFFAOYSA-N 2 0 211.309 0.032 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)C[NH2+]C1CC1 ZINC000153924369 343706253 /nfs/dbraw/zinc/70/62/53/343706253.db2.gz WQDGIVWDGYJLKY-LBPRGKRZSA-N 2 0 227.352 0.618 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000402120593 349849861 /nfs/dbraw/zinc/84/98/61/349849861.db2.gz GRCVNCMDITYVMF-DCAQKATOSA-N 2 0 216.325 0.507 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000261544413 349849976 /nfs/dbraw/zinc/84/99/76/349849976.db2.gz XXQABRKUHWBNPB-WCQYABFASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1CCC[N@H+](CCNC(=O)C[NH2+]C2CC2)C1 ZINC000154627505 343720992 /nfs/dbraw/zinc/72/09/92/343720992.db2.gz URJKAMSCGGJXNU-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C[NH2+]C2CC2)C1 ZINC000154627390 343721720 /nfs/dbraw/zinc/72/17/20/343721720.db2.gz URJKAMSCGGJXNU-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)CC[C@@H]1[NH3+] ZINC000576225357 343724840 /nfs/dbraw/zinc/72/48/40/343724840.db2.gz FRCUJEHRQFMVCU-WXHSDQCUSA-N 2 0 247.342 0.882 20 0 BCADRP C[NH2+]CCC(=O)NCc1ccc(C[NH3+])cc1 ZINC000584173802 343769160 /nfs/dbraw/zinc/76/91/60/343769160.db2.gz RPWCJSWYXFEKJH-UHFFFAOYSA-N 2 0 221.304 0.371 20 0 BCADRP O=C([C@@H]1CCCCC[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000584221611 343773139 /nfs/dbraw/zinc/77/31/39/343773139.db2.gz XFORTPXKTQFLDI-TUAOUCFPSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1C[NH2+]C1 ZINC000584225974 343775202 /nfs/dbraw/zinc/77/52/02/343775202.db2.gz UUNYDMNJGINCJB-GWCFXTLKSA-N 2 0 219.332 0.506 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000584231054 343775809 /nfs/dbraw/zinc/77/58/09/343775809.db2.gz VEWNFFSTHBFAQJ-WDEREUQCSA-N 2 0 227.352 0.701 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684517 343746915 /nfs/dbraw/zinc/74/69/15/343746915.db2.gz NOVAWWSAWHQDGF-WZRBSPASSA-N 2 0 239.363 0.714 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494538811 529844741 /nfs/dbraw/zinc/84/47/41/529844741.db2.gz ADKLTXHFIZYXLA-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000178720999 346963832 /nfs/dbraw/zinc/96/38/32/346963832.db2.gz DHKQHQDSQLTVTI-SNVBAGLBSA-N 2 0 213.325 0.195 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000584113028 343759579 /nfs/dbraw/zinc/75/95/79/343759579.db2.gz WYLMKWLFDBHHGR-UKKRHICBSA-N 2 0 243.326 0.320 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000418727009 192065462 /nfs/dbraw/zinc/06/54/62/192065462.db2.gz MBYOLPDADCNFKU-AXFHLTTASA-N 2 0 242.367 0.458 20 0 BCADRP CN(C(=O)CC1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000179089789 346972396 /nfs/dbraw/zinc/97/23/96/346972396.db2.gz UURWTLNWVVZLFT-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)c1coc(C[NH3+])c1)C1CC1 ZINC000570451690 323060008 /nfs/dbraw/zinc/06/00/08/323060008.db2.gz XZFLFSXTEQUMDT-LBPRGKRZSA-N 2 0 237.303 0.596 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000179012504 346970867 /nfs/dbraw/zinc/97/08/67/346970867.db2.gz CTGLHFZRBCGONR-MXWKQRLJSA-N 2 0 227.352 0.428 20 0 BCADRP CC[NH+]1CCN(CCC[NH2+]C2CC2)CC1 ZINC000037478525 537820078 /nfs/dbraw/zinc/82/00/78/537820078.db2.gz YDXFVLBRMXOIDZ-UHFFFAOYSA-N 2 0 211.353 0.766 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@@H](C)[NH3+] ZINC000069838893 344041323 /nfs/dbraw/zinc/04/13/23/344041323.db2.gz BUONTMXCURYTAB-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000570549313 323062767 /nfs/dbraw/zinc/06/27/67/323062767.db2.gz QJFZSACOUCTGJX-DCAQKATOSA-N 2 0 227.352 0.605 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000393769672 343926677 /nfs/dbraw/zinc/92/66/77/343926677.db2.gz ITTXWHPDJAWRSW-XKNYDFJKSA-N 2 0 213.325 0.084 20 0 BCADRP C[NH2+][C@@H](C)c1cn(CC2CC[NH2+]CC2)nn1 ZINC000641233248 362284577 /nfs/dbraw/zinc/28/45/77/362284577.db2.gz QOLHGTJAWMSCKW-VIFPVBQESA-N 2 0 223.324 0.558 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000156172282 323064911 /nfs/dbraw/zinc/06/49/11/323064911.db2.gz COHZOHIZHCXMBH-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP CC1(C)C[NH2+]CC[C@H](N[C@H]2CC[NH2+]C2)C1 ZINC000634733664 344114017 /nfs/dbraw/zinc/11/40/17/344114017.db2.gz KUVJJZGKXWLLLV-QWRGUYRKSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C1=CC[C@H]([NH3+])C1)C2 ZINC000634741886 344163487 /nfs/dbraw/zinc/16/34/87/344163487.db2.gz RYOYQRVLXGGYGW-FPMFFAJLSA-N 2 0 249.358 0.492 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634744474 344165127 /nfs/dbraw/zinc/16/51/27/344165127.db2.gz ZNBHDMHUZAEHFW-TXEJJXNPSA-N 2 0 225.336 0.054 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634744493 344165273 /nfs/dbraw/zinc/16/52/73/344165273.db2.gz ZTZXZGYVNCTEAB-WCFLWFBJSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000570710054 323068225 /nfs/dbraw/zinc/06/82/25/323068225.db2.gz CALJPLMTDHGEAB-NNYUYHANSA-N 2 0 239.363 0.748 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000130408310 344136725 /nfs/dbraw/zinc/13/67/25/344136725.db2.gz WLMSIQPVHCKTBH-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP CN1CC[NH+](CCCSCC[NH+](C)C)CC1 ZINC000130966604 344211863 /nfs/dbraw/zinc/21/18/63/344211863.db2.gz GKJWZEFFQMQAGZ-UHFFFAOYSA-N 2 0 245.436 0.919 20 0 BCADRP C[NH+]1CCC(CNC(=O)CC2(C[NH3+])CC2)CC1 ZINC000566157305 344190702 /nfs/dbraw/zinc/19/07/02/344190702.db2.gz KDUWZGMNDMMXCY-UHFFFAOYSA-N 2 0 239.363 0.573 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)CCCC[NH3+])C1 ZINC000084420106 344191768 /nfs/dbraw/zinc/19/17/68/344191768.db2.gz FLPDRTDYCUKPHJ-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634749812 344192940 /nfs/dbraw/zinc/19/29/40/344192940.db2.gz GBKJPOIHJADWFS-BETUJISGSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634749735 344193070 /nfs/dbraw/zinc/19/30/70/344193070.db2.gz CZYKJFARISBBOS-JLLWLGSASA-N 2 0 225.336 0.182 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752496 344203577 /nfs/dbraw/zinc/20/35/77/344203577.db2.gz MYXAIHVBAJISEO-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)CCC[NH3+])C1 ZINC000634752398 344203938 /nfs/dbraw/zinc/20/39/38/344203938.db2.gz KUXUCQAWMDBZBA-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752797 344205391 /nfs/dbraw/zinc/20/53/91/344205391.db2.gz SLPGCHORHCIHPY-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000131919289 344238862 /nfs/dbraw/zinc/23/88/62/344238862.db2.gz YATUSJQNFLMSAM-VHSXEESVSA-N 2 0 213.325 0.086 20 0 BCADRP C[NH+](C)CC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761556 344251030 /nfs/dbraw/zinc/25/10/30/344251030.db2.gz DOAOMJNSRQJYIT-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])C(C)C ZINC000309360371 347042423 /nfs/dbraw/zinc/04/24/23/347042423.db2.gz AITLKUFBWTZSAA-VHSXEESVSA-N 2 0 215.341 0.603 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000634763920 344276168 /nfs/dbraw/zinc/27/61/68/344276168.db2.gz HDSZDFODBOQGIC-SNVBAGLBSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634763828 344276199 /nfs/dbraw/zinc/27/61/99/344276199.db2.gz DQBUFHUHOPJHQQ-NSHDSACASA-N 2 0 241.379 0.879 20 0 BCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000634764346 344276661 /nfs/dbraw/zinc/27/66/61/344276661.db2.gz QPCIHIALCXAWMP-AXFHLTTASA-N 2 0 239.363 0.618 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634764750 344277114 /nfs/dbraw/zinc/27/71/14/344277114.db2.gz APJDWRQOJKEMTL-FOGDFJRCSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000309368787 347043591 /nfs/dbraw/zinc/04/35/91/347043591.db2.gz BNZICBDLAOXSFS-BBBLOLIVSA-N 2 0 213.325 0.215 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634764751 344277169 /nfs/dbraw/zinc/27/71/69/344277169.db2.gz APJDWRQOJKEMTL-SCVCMEIPSA-N 2 0 225.336 0.372 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768515 344280157 /nfs/dbraw/zinc/28/01/57/344280157.db2.gz NIXZERPVTSPVRM-LOWVWBTDSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)[C@@H]([NH3+])CC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768585 344280491 /nfs/dbraw/zinc/28/04/91/344280491.db2.gz PQZZUZQKJUBNJG-MDZLAQPJSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768801 344280685 /nfs/dbraw/zinc/28/06/85/344280685.db2.gz ZOKKOHCFBBTXOZ-FYBVGQRMSA-N 2 0 247.289 0.227 20 0 BCADRP O=C(CC[NH2+]C1CC1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634769948 344283943 /nfs/dbraw/zinc/28/39/43/344283943.db2.gz UPGDOLFEAJRWFF-MFKMUULPSA-N 2 0 237.347 0.387 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000634770011 344284066 /nfs/dbraw/zinc/28/40/66/344284066.db2.gz WIWHZEZYGCDXAO-WZRBSPASSA-N 2 0 235.331 0.292 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634769830 344284235 /nfs/dbraw/zinc/28/42/35/344284235.db2.gz PTLUFKGBBORELC-PWSUYJOCSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000092135500 344289471 /nfs/dbraw/zinc/28/94/71/344289471.db2.gz GPOUDBXQDYUDGZ-NWDGAFQWSA-N 2 0 241.379 0.688 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)CCC[NH3+])CC[N@@H+]1C ZINC000132972806 344310494 /nfs/dbraw/zinc/31/04/94/344310494.db2.gz AITRGLNQLWBZBM-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CCSCC[N@H+](C)CCOCC[NH3+] ZINC000600735242 344365080 /nfs/dbraw/zinc/36/50/80/344365080.db2.gz KYKCZUASSYMMRL-UHFFFAOYSA-N 2 0 206.355 0.647 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)CC[NH2+]C(C)C)C1 ZINC000131766725 344333367 /nfs/dbraw/zinc/33/33/67/344333367.db2.gz AMJMMOYDBODBKF-LLVKDONJSA-N 2 0 227.352 0.585 20 0 BCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000131841851 344334702 /nfs/dbraw/zinc/33/47/02/344334702.db2.gz JLXYQUOUZIFEKG-NWDGAFQWSA-N 2 0 239.363 0.492 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)CC[NH2+]C(C)C ZINC000131869399 344355106 /nfs/dbraw/zinc/35/51/06/344355106.db2.gz GRGBWMPSUPQCIS-SNVBAGLBSA-N 2 0 215.341 0.346 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000584285967 344420090 /nfs/dbraw/zinc/42/00/90/344420090.db2.gz QRGPRDWJNOCDNR-MMVSWEMESA-N 2 0 237.347 0.467 20 0 BCADRP C[C@H](C(=O)NCC[C@@H]1CCC[NH2+]C1)C1C[NH2+]C1 ZINC000584290244 344424932 /nfs/dbraw/zinc/42/49/32/344424932.db2.gz NOSANBXMOFMOIS-QWRGUYRKSA-N 2 0 239.363 0.348 20 0 BCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)CC[NH3+])C1 ZINC000236770617 344403509 /nfs/dbraw/zinc/40/35/09/344403509.db2.gz SBTLYZCIMPNEOO-LLVKDONJSA-N 2 0 227.352 0.429 20 0 BCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C[NH3+])C1 ZINC000236770649 344403858 /nfs/dbraw/zinc/40/38/58/344403858.db2.gz BKWXOQMSRNXKGZ-SNVBAGLBSA-N 2 0 213.325 0.039 20 0 BCADRP CC[NH+](CC)CCNC(=O)C(C)(C)[NH3+] ZINC000040920029 344410735 /nfs/dbraw/zinc/41/07/35/344410735.db2.gz KWVRHDMADWXRDT-UHFFFAOYSA-N 2 0 201.314 0.182 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[NH2+]CC1 ZINC000042354426 344451450 /nfs/dbraw/zinc/45/14/50/344451450.db2.gz NXBXKUDPGDJUBB-UHFFFAOYSA-N 2 0 213.325 0.150 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000381438249 344506982 /nfs/dbraw/zinc/50/69/82/344506982.db2.gz YLVDGLCOKOLYMB-SNVBAGLBSA-N 2 0 213.325 0.313 20 0 BCADRP CC[NH+]1CCC(N[C@H]2CCC[NH2+]C2)CC1 ZINC000043327423 344489281 /nfs/dbraw/zinc/48/92/81/344489281.db2.gz AJGMAYAJTPBQSW-LBPRGKRZSA-N 2 0 211.353 0.812 20 0 BCADRP C(C[NH+]1CCCCC1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000080961046 344489301 /nfs/dbraw/zinc/48/93/01/344489301.db2.gz NWBFOYQNVCOQBI-STQMWFEESA-N 2 0 223.364 0.624 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]([NH3+])CCSC ZINC000381475706 344510413 /nfs/dbraw/zinc/51/04/13/344510413.db2.gz QNJZSCIQXJTOCL-SECBINFHSA-N 2 0 233.381 0.183 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000309834002 259377973 /nfs/dbraw/zinc/37/79/73/259377973.db2.gz ZLNREVROHMXUPI-AXTSPUMRSA-N 2 0 213.325 0.226 20 0 BCADRP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@H](C)[NH3+])CC1 ZINC000641423420 362408269 /nfs/dbraw/zinc/40/82/69/362408269.db2.gz ASYCGBOIHNKMBE-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP [NH3+]CC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000336516679 347057539 /nfs/dbraw/zinc/05/75/39/347057539.db2.gz AZYYVUOHOZHBLC-GFCCVEGCSA-N 3 0 211.353 0.657 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000641424263 362408887 /nfs/dbraw/zinc/40/88/87/362408887.db2.gz IWIBYJRIKUMXJP-UWVGGRQHSA-N 2 0 228.340 0.069 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158292951 344584008 /nfs/dbraw/zinc/58/40/08/344584008.db2.gz DQLYHMAJLDIDQB-JQWIXIFHSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000641425981 362412985 /nfs/dbraw/zinc/41/29/85/362412985.db2.gz RGEYLVPQAOXWBO-GUBZILKMSA-N 2 0 228.340 0.245 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)C[NH2+]C1CC1 ZINC000309426959 347059665 /nfs/dbraw/zinc/05/96/65/347059665.db2.gz KLGBQOKYNLBZCJ-DTWKUNHWSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C[NH2+]C1CC1 ZINC000309426957 347059688 /nfs/dbraw/zinc/05/96/88/347059688.db2.gz KLGBQOKYNLBZCJ-BDAKNGLRSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)c2ccnc(C[NH3+])c2)CC[NH2+]1 ZINC000574276162 344730026 /nfs/dbraw/zinc/73/00/26/344730026.db2.gz KWKGBWZVGBFQSQ-MWLCHTKSSA-N 2 0 248.330 0.411 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000309464299 347069034 /nfs/dbraw/zinc/06/90/34/347069034.db2.gz PLRJBRPKXGBQIN-NXEZZACHSA-N 2 0 213.325 0.169 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ncc[nH]1 ZINC000114335969 344685456 /nfs/dbraw/zinc/68/54/56/344685456.db2.gz PBWJETJXMSUNFD-JTQLQIEISA-N 2 0 236.319 0.900 20 0 BCADRP C[N@H+](CCCn1ccnc1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038760 344688389 /nfs/dbraw/zinc/68/83/89/344688389.db2.gz BCMZTAGEIGBQPT-PHIMTYICSA-N 2 0 236.319 0.469 20 0 BCADRP Cc1nccn1CC[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038827 344688627 /nfs/dbraw/zinc/68/86/27/344688627.db2.gz DPCFQLGPDNGJBX-PHIMTYICSA-N 2 0 236.319 0.387 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046459 344697155 /nfs/dbraw/zinc/69/71/55/344697155.db2.gz DJXPHIPNIYKVPY-FRRDWIJNSA-N 2 0 244.379 0.390 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000574204927 344707663 /nfs/dbraw/zinc/70/76/63/344707663.db2.gz KVVDKKZURRYZIL-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000583380304 344855619 /nfs/dbraw/zinc/85/56/19/344855619.db2.gz YSYZRCYTPAWDSF-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP CC(C)([NH3+])CNC(=O)c1csc(CC[NH3+])n1 ZINC000583381856 344858274 /nfs/dbraw/zinc/85/82/74/344858274.db2.gz NPUCAYKGOLTRCC-UHFFFAOYSA-N 2 0 242.348 0.111 20 0 BCADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)C1 ZINC000234768873 537870625 /nfs/dbraw/zinc/87/06/25/537870625.db2.gz ZCQPNAZLEGPZAZ-YNEHKIRRSA-N 2 0 244.379 0.846 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000583390910 344876188 /nfs/dbraw/zinc/87/61/88/344876188.db2.gz FEHCTBZIIMCCFR-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000583448483 344997439 /nfs/dbraw/zinc/99/74/39/344997439.db2.gz COGXHOPAOAEPLO-WDEREUQCSA-N 2 0 227.352 0.666 20 0 BCADRP CCC[NH2+]CCNC(=O)C1(C[NH3+])CCCC1 ZINC000154098752 345014328 /nfs/dbraw/zinc/01/43/28/345014328.db2.gz NJHMIATXZOICOL-UHFFFAOYSA-N 2 0 227.352 0.621 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000154495383 345039061 /nfs/dbraw/zinc/03/90/61/345039061.db2.gz GVQDTZUFSFRXGB-LLVKDONJSA-N 2 0 229.368 0.688 20 0 BCADRP COC[C@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC000125162089 345068346 /nfs/dbraw/zinc/06/83/46/345068346.db2.gz WVPPCXMIIIJXQR-GFCCVEGCSA-N 2 0 230.352 0.315 20 0 BCADRP CC[C@@H](COC)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000155110005 345070268 /nfs/dbraw/zinc/07/02/68/345070268.db2.gz JRSBTZMQNKCABX-STQMWFEESA-N 2 0 243.395 0.637 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000155004809 345063085 /nfs/dbraw/zinc/06/30/85/345063085.db2.gz XPPKRQIIJMJSOW-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1COC[C@H]1O ZINC000323167327 537888941 /nfs/dbraw/zinc/88/89/41/537888941.db2.gz LIWMZJWVGXVQLG-WUHRBBMRSA-N 2 0 242.363 0.647 20 0 BCADRP C[C@@H]1C[C@H](NC[C@H](O)C(F)(F)F)CC[N@@H+]1C ZINC000155864655 345108934 /nfs/dbraw/zinc/10/89/34/345108934.db2.gz IBYJUUMRZORNSY-HLTSFMKQSA-N 2 0 240.269 0.982 20 0 BCADRP CC(C)[C@@H](C[NH3+])C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000634990759 345173264 /nfs/dbraw/zinc/17/32/64/345173264.db2.gz BEAQKYCQJPAQCW-ZDUSSCGKSA-N 3 0 242.411 0.054 20 0 BCADRP C[NH2+][C@@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634990968 345173984 /nfs/dbraw/zinc/17/39/84/345173984.db2.gz JLORKEYGHOFADG-MOENNCHZSA-N 2 0 209.337 0.422 20 0 BCADRP C[C@H]1CN(CC23CC(C2)C[NH2+]3)C[C@H](C)[NH2+]1 ZINC000634991152 345174013 /nfs/dbraw/zinc/17/40/13/345174013.db2.gz RRTNVCQUWHFVOY-JYBOHDQNSA-N 2 0 209.337 0.421 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN(C)C1CC[NH2+]CC1 ZINC000634991276 345174227 /nfs/dbraw/zinc/17/42/27/345174227.db2.gz XFJUPZUIWRLXMU-NSHDSACASA-N 2 0 213.369 0.901 20 0 BCADRP C[C@@H]1CN(CC23CC(C2)C[NH2+]3)C[C@@H](C)[NH2+]1 ZINC000634991153 345174292 /nfs/dbraw/zinc/17/42/92/345174292.db2.gz RRTNVCQUWHFVOY-QYNFOATHSA-N 2 0 209.337 0.421 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000634991743 345178265 /nfs/dbraw/zinc/17/82/65/345178265.db2.gz QAENKUGTNNXRAY-QJPTWQEYSA-N 2 0 213.369 0.886 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2CN(CC34CC(C3)C[NH2+]4)C[C@@H]21 ZINC000634991690 345178448 /nfs/dbraw/zinc/17/84/48/345178448.db2.gz OBWPURSSIWWJQS-VWGAPNJBSA-N 2 0 235.375 0.798 20 0 BCADRP CC[NH+]1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991988 345179316 /nfs/dbraw/zinc/17/93/16/345179316.db2.gz YUYNFNHTSPGWOE-UHFFFAOYSA-N 2 0 209.337 0.376 20 0 BCADRP C(N1CC[C@@H]([NH+]2CCCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634992289 345180253 /nfs/dbraw/zinc/18/02/53/345180253.db2.gz KEKFRXAGWANJLZ-ROKHWSDSSA-N 2 0 235.375 0.909 20 0 BCADRP CC(C)[C@H](C[NH3+])CNC[C@@H]1CCC[NH2+]C1 ZINC000634994359 345181605 /nfs/dbraw/zinc/18/16/05/345181605.db2.gz ACOYPDBTIGAFDP-VXGBXAGGSA-N 2 0 213.369 0.807 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN1CC[NH2+]C[C@@](C)(F)C1 ZINC000634994643 345182561 /nfs/dbraw/zinc/18/25/61/345182561.db2.gz JNDJIRRPBIIAGG-NWDGAFQWSA-N 2 0 231.359 0.851 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@H](C[NH3+])C(C)C ZINC000634994720 345182712 /nfs/dbraw/zinc/18/27/12/345182712.db2.gz LBXZIOYJWYKKEW-WOPDTQHZSA-N 2 0 231.359 0.849 20 0 BCADRP C(N1CCC[C@@]2(CC[NH2+]C2)C1)C12CC(C1)C[NH2+]2 ZINC000634994752 345182809 /nfs/dbraw/zinc/18/28/09/345182809.db2.gz MAVXRDVIXHYHHP-MOKVOYLWSA-N 2 0 235.375 0.814 20 0 BCADRP COC[C@@]1(CNCC2(C[NH3+])CC2)CCC[NH2+]1 ZINC000634995341 345184287 /nfs/dbraw/zinc/18/42/87/345184287.db2.gz BEJRJXYIENROST-LBPRGKRZSA-N 2 0 227.352 0.084 20 0 BCADRP CC(C)[C@H](C[NH3+])CN[C@@H](CC[NH3+])C(F)F ZINC000634995421 345184439 /nfs/dbraw/zinc/18/44/39/345184439.db2.gz DQGFFDPZAYHKMC-BDAKNGLRSA-N 2 0 223.311 0.789 20 0 BCADRP CC(C)[C@@H](C[NH3+])C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000634995231 345184543 /nfs/dbraw/zinc/18/45/43/345184543.db2.gz YNFUHJNBDDTBRT-STQMWFEESA-N 3 0 225.380 0.903 20 0 BCADRP CC(C)[C@H](C[NH3+])CN[C@@H]1CCC[NH2+]CC1 ZINC000634995483 345185025 /nfs/dbraw/zinc/18/50/25/345185025.db2.gz GKQYHFPLRCYZPI-VXGBXAGGSA-N 2 0 213.369 0.949 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000634995457 345185057 /nfs/dbraw/zinc/18/50/57/345185057.db2.gz FNCDNGDVZCZVCP-QTAHKJALSA-N 2 0 209.337 0.469 20 0 BCADRP CC1(C)CN(CC23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000634995665 345185243 /nfs/dbraw/zinc/18/52/43/345185243.db2.gz LQABHMGXVIDMTN-UHFFFAOYSA-N 2 0 209.337 0.422 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000634995459 345185419 /nfs/dbraw/zinc/18/54/19/345185419.db2.gz FNCDNGDVZCZVCP-VOBJUBJWSA-N 2 0 209.337 0.469 20 0 BCADRP [NH3+]CC1(C[NH2+][C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000634995835 345185809 /nfs/dbraw/zinc/18/58/09/345185809.db2.gz QFBBIFVQUWQMCE-SNVBAGLBSA-N 3 0 209.337 0.457 20 0 BCADRP CCC[NH2+]CCNC[C@H](C[NH3+])C(C)C ZINC000634996042 345185857 /nfs/dbraw/zinc/18/58/57/345185857.db2.gz XQRFORIMUZZJKS-NSHDSACASA-N 2 0 201.358 0.807 20 0 BCADRP [NH3+]CC1(C[NH2+][C@H]2CC23CC[NH2+]CC3)CC1 ZINC000634995834 345186029 /nfs/dbraw/zinc/18/60/29/345186029.db2.gz QFBBIFVQUWQMCE-JTQLQIEISA-N 3 0 209.337 0.457 20 0 BCADRP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000634996090 345186564 /nfs/dbraw/zinc/18/65/64/345186564.db2.gz ZDRCMUVDMSDUPI-QJPTWQEYSA-N 3 0 213.369 0.934 20 0 BCADRP COC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156104177 345125230 /nfs/dbraw/zinc/12/52/30/345125230.db2.gz JVLXHWZWFXBPOR-QJPTWQEYSA-N 2 0 228.336 0.210 20 0 BCADRP [NH3+]CC[C@H](NCC12CC(C1)C[NH2+]2)C(F)(F)F ZINC000634996087 345186935 /nfs/dbraw/zinc/18/69/35/345186935.db2.gz ZDFLSRLWAHJBRG-MGURRDGZSA-N 2 0 237.269 0.608 20 0 BCADRP C[C@H](O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156113770 345128673 /nfs/dbraw/zinc/12/86/73/345128673.db2.gz KFNZBTPDCRCACF-QJPTWQEYSA-N 2 0 212.337 0.974 20 0 BCADRP [NH3+]CCC1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634996204 345187260 /nfs/dbraw/zinc/18/72/60/345187260.db2.gz CPAXRSKEJPMUGK-UHFFFAOYSA-N 2 0 223.364 0.799 20 0 BCADRP CN(CCn1cccn1)CC12CC(C1)C[NH2+]2 ZINC000634992769 345187951 /nfs/dbraw/zinc/18/79/51/345187951.db2.gz AJDUEBZAZQDZHM-UHFFFAOYSA-N 2 0 220.320 0.567 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000245424755 345226485 /nfs/dbraw/zinc/22/64/85/345226485.db2.gz KGMQEKAFIZDBLW-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000449058692 201799314 /nfs/dbraw/zinc/79/93/14/201799314.db2.gz LIMJMDXNHOGMKR-IJLUTSLNSA-N 2 0 239.363 0.844 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC1CC[NH2+]CC1 ZINC000449061499 201799786 /nfs/dbraw/zinc/79/97/86/201799786.db2.gz VTNLYKPGMIVXED-LLVKDONJSA-N 2 0 241.379 0.879 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000157227280 345250060 /nfs/dbraw/zinc/25/00/60/345250060.db2.gz QJLOQQNVCUDILT-LLVKDONJSA-N 2 0 241.379 0.690 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000634994331 345193230 /nfs/dbraw/zinc/19/32/30/345193230.db2.gz ZLCIBMJFNQRSMX-JHJVBQTASA-N 2 0 225.380 0.901 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000634997521 345196261 /nfs/dbraw/zinc/19/62/61/345196261.db2.gz NKZAKQNYGMDNLF-LVFLEHKBSA-N 2 0 209.337 0.469 20 0 BCADRP CN1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000600964992 345196604 /nfs/dbraw/zinc/19/66/04/345196604.db2.gz BUXIDIJNOXTXKF-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@]1(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC000635001619 345202267 /nfs/dbraw/zinc/20/22/67/345202267.db2.gz ASFBTQSUDOZRDY-TUAOUCFPSA-N 2 0 209.337 0.422 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000634997886 345202663 /nfs/dbraw/zinc/20/26/63/345202663.db2.gz VLAYDZFDBOSTOO-GRYCIOLGSA-N 2 0 213.369 0.947 20 0 BCADRP CC(C)(C)[NH2+]CCN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635001944 345203620 /nfs/dbraw/zinc/20/36/20/345203620.db2.gz FZMXZVGTNJZMGX-PHIMTYICSA-N 2 0 211.353 0.811 20 0 BCADRP COC[C@H](C)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000635002674 345204573 /nfs/dbraw/zinc/20/45/73/345204573.db2.gz XKVIWYFPMREFBW-LLVKDONJSA-N 2 0 230.352 0.315 20 0 BCADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000635003165 345205722 /nfs/dbraw/zinc/20/57/22/345205722.db2.gz AFHFFIILBQQHJO-FIQHERPVSA-N 3 0 211.353 0.973 20 0 BCADRP CCC[C@H](CCO)[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000635004259 345207760 /nfs/dbraw/zinc/20/77/60/345207760.db2.gz NUMMRYONIFJZEE-QNWHQSFQSA-N 2 0 244.379 0.879 20 0 BCADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)C1C[NH2+]C1 ZINC000635005403 345209384 /nfs/dbraw/zinc/20/93/84/345209384.db2.gz NEAXWBURYYDLNW-CKYFFXLPSA-N 3 0 211.353 0.701 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000449070635 201803187 /nfs/dbraw/zinc/80/31/87/201803187.db2.gz DMVVTDUUODQNLP-GRYCIOLGSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635006175 345210723 /nfs/dbraw/zinc/21/07/23/345210723.db2.gz LIQAFJRTVZRRJY-GMTAPVOTSA-N 2 0 248.392 0.527 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000449078629 201804532 /nfs/dbraw/zinc/80/45/32/201804532.db2.gz VYOFYOGNHPQKJS-SNVBAGLBSA-N 2 0 229.368 0.736 20 0 BCADRP C[C@H](CNC(=O)[C@H]([NH3+])C(C)(C)C)[NH+](C)C ZINC000162624884 345222835 /nfs/dbraw/zinc/22/28/35/345222835.db2.gz METUBBRXATXZKJ-BDAKNGLRSA-N 2 0 215.341 0.426 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000449090279 201805367 /nfs/dbraw/zinc/80/53/67/201805367.db2.gz GIIVQGDANGADDG-TUAOUCFPSA-N 2 0 241.379 0.879 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCCC1 ZINC000158787346 345261827 /nfs/dbraw/zinc/26/18/27/345261827.db2.gz LMDHTFVYOCUJAN-GFCCVEGCSA-N 2 0 237.347 0.470 20 0 BCADRP C[C@H](C(=O)NCC[NH+]1CCC(C)CC1)[NH+](C)C ZINC000635300473 345299408 /nfs/dbraw/zinc/29/94/08/345299408.db2.gz OZFPFHBRRHREML-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[NH+](C)C ZINC000635328520 345309807 /nfs/dbraw/zinc/30/98/07/345309807.db2.gz PCMYYCNBNCVSCB-IJLUTSLNSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)[NH+](C)C ZINC000635383844 345335847 /nfs/dbraw/zinc/33/58/47/345335847.db2.gz ZYKRNFSAAPFXRN-KOLCDFICSA-N 2 0 227.352 0.393 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000158528511 345345602 /nfs/dbraw/zinc/34/56/02/345345602.db2.gz QJVHVQVYVNJXBH-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449099724 201808632 /nfs/dbraw/zinc/80/86/32/201808632.db2.gz OWYDPFGCJNBXCG-GARJFASQSA-N 2 0 227.352 0.748 20 0 BCADRP Cn1ncnc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158948675 345391040 /nfs/dbraw/zinc/39/10/40/345391040.db2.gz JYAGESBBSBCQJV-VXGBXAGGSA-N 2 0 249.362 0.731 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000248447982 345389582 /nfs/dbraw/zinc/38/95/82/345389582.db2.gz DLJZROFGXAQEDX-OUAUKWLOSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)[NH+](C)C ZINC000635479481 345389636 /nfs/dbraw/zinc/38/96/36/345389636.db2.gz IUFGHPSDVPTTTF-GHMZBOCLSA-N 2 0 229.368 0.783 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)[NH+](C)C ZINC000635479482 345389694 /nfs/dbraw/zinc/38/96/94/345389694.db2.gz IUFGHPSDVPTTTF-WDEREUQCSA-N 2 0 229.368 0.783 20 0 BCADRP C[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000635481085 345390057 /nfs/dbraw/zinc/39/00/57/345390057.db2.gz NKFYQLOZDAXMMZ-GHMZBOCLSA-N 2 0 227.352 0.489 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@@]2(O)CCOC2)CC1 ZINC000132339380 345327747 /nfs/dbraw/zinc/32/77/47/345327747.db2.gz MKVRBWVEIKQXFT-LBPRGKRZSA-N 2 0 228.336 0.212 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000449123655 201813217 /nfs/dbraw/zinc/81/32/17/201813217.db2.gz DKOZXGXGFGJUBE-WPRPVWTQSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@H](C(=O)NC1CC[NH+](C)CC1)[NH+](C)C ZINC000159326312 345424259 /nfs/dbraw/zinc/42/42/59/345424259.db2.gz FTSDCLNGBSQGCY-GFCCVEGCSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000449119944 201814709 /nfs/dbraw/zinc/81/47/09/201814709.db2.gz BCXAIJQTZBUEOI-IRCOFANPSA-N 2 0 239.363 0.428 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC(C)(C)[NH3+] ZINC000449129031 201814996 /nfs/dbraw/zinc/81/49/96/201814996.db2.gz AZZXXVRLUFCYGG-VIFPVBQESA-N 2 0 229.368 0.864 20 0 BCADRP [NH3+]C[C@H](NC(=O)C[C@@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC000449129473 201816812 /nfs/dbraw/zinc/81/68/12/201816812.db2.gz VEHMKXHMLMBOSD-TUAOUCFPSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@]1(C(=O)N2CCC[NH2+]CC2)CCCC[NH2+]1 ZINC000159544664 345442291 /nfs/dbraw/zinc/44/22/91/345442291.db2.gz SVJIZXPGYXHVKJ-GFCCVEGCSA-N 2 0 225.336 0.341 20 0 BCADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC[NH3+] ZINC000082241799 345497718 /nfs/dbraw/zinc/49/77/18/345497718.db2.gz OCBZIPAUXZMTJA-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NCCC[NH3+] ZINC000082241813 345497731 /nfs/dbraw/zinc/49/77/31/345497731.db2.gz ICNPOXFGNCBOPZ-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP C[NH+](C)Cc1ccc(C(=O)NCCC[NH3+])cc1 ZINC000082262499 345499432 /nfs/dbraw/zinc/49/94/32/345499432.db2.gz ZFFLXFALNJPNAY-UHFFFAOYSA-N 2 0 235.331 0.827 20 0 BCADRP COC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000068891764 349930356 /nfs/dbraw/zinc/93/03/56/349930356.db2.gz AQKKJQGYFTXIMQ-JQWIXIFHSA-N 2 0 228.336 0.068 20 0 BCADRP C[C@H](C(=O)N1CCC([NH+](C)C)CC1)[NH+](C)C ZINC000635541614 345531364 /nfs/dbraw/zinc/53/13/64/345531364.db2.gz RBCSLLNVXKOESJ-SNVBAGLBSA-N 2 0 227.352 0.489 20 0 BCADRP C[N@H+](C[C@@H]1CCC[NH+](C)C1)CC1(CO)COC1 ZINC000089128032 345548081 /nfs/dbraw/zinc/54/80/81/345548081.db2.gz OKWMFHLNDNWBGT-GFCCVEGCSA-N 2 0 242.363 0.269 20 0 BCADRP CC[C@H](O)C[NH+]1CCN(c2nccn2C)CC1 ZINC000089926732 345566514 /nfs/dbraw/zinc/56/65/14/345566514.db2.gz POQANOXGNPMQJH-NSHDSACASA-N 2 0 238.335 0.313 20 0 BCADRP [NH3+]CCSCc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000600975446 345573542 /nfs/dbraw/zinc/57/35/42/345573542.db2.gz BXLFWYFONIGXIR-VIFPVBQESA-N 2 0 241.364 0.222 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000262842034 535000235 /nfs/dbraw/zinc/00/02/35/535000235.db2.gz JAWKHVDMRDSCLH-GHMZBOCLSA-N 2 0 227.352 0.583 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000563116084 323093452 /nfs/dbraw/zinc/09/34/52/323093452.db2.gz XWNNCOMKAFJHEN-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000563108932 323092839 /nfs/dbraw/zinc/09/28/39/323092839.db2.gz QZBPYAQKJKSJEG-BXKDBHETSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)C[NH2+]CC1CC1 ZINC000563119171 323093965 /nfs/dbraw/zinc/09/39/65/323093965.db2.gz NDEONUHDELWGPO-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000111824820 345690692 /nfs/dbraw/zinc/69/06/92/345690692.db2.gz KVYQHBMRYZEAES-MNOVXSKESA-N 2 0 211.353 0.668 20 0 BCADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)[C@H](C)CN1 ZINC000111824817 345691052 /nfs/dbraw/zinc/69/10/52/345691052.db2.gz KVYQHBMRYZEAES-GHMZBOCLSA-N 2 0 211.353 0.668 20 0 BCADRP [NH3+]CC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000212832656 345740619 /nfs/dbraw/zinc/74/06/19/345740619.db2.gz ZXZZKKWBBYOWLA-LLVKDONJSA-N 2 0 225.336 0.422 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635559550 345760161 /nfs/dbraw/zinc/76/01/61/345760161.db2.gz TWTIINYJDPEKGC-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP CCN(C)C(=O)CC[NH+]1CCC(C[NH3+])CC1 ZINC000563153016 323096015 /nfs/dbraw/zinc/09/60/15/323096015.db2.gz HISSDPLTIFRJMC-UHFFFAOYSA-N 2 0 227.352 0.526 20 0 BCADRP CN1CCN(C(=O)CCC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000162695759 345762517 /nfs/dbraw/zinc/76/25/17/345762517.db2.gz QEWKCOFUANGPSA-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP C[C@H](C(=O)NCCCC[NH+](C)C)[NH+](C)C ZINC000635561685 345766608 /nfs/dbraw/zinc/76/66/08/345766608.db2.gz UAURQXIVFVRVRD-SNVBAGLBSA-N 2 0 215.341 0.395 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000662823591 537911334 /nfs/dbraw/zinc/91/13/34/537911334.db2.gz UDCDQGHGSKKZCD-BDAKNGLRSA-N 2 0 201.314 0.226 20 0 BCADRP C[C@@H](NC(=O)CCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000381426207 345853401 /nfs/dbraw/zinc/85/34/01/345853401.db2.gz YVYMJTACBKEZIV-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000635605978 345889879 /nfs/dbraw/zinc/88/98/79/345889879.db2.gz GHEKWEWLIBUUKE-GMTAPVOTSA-N 2 0 227.352 0.535 20 0 BCADRP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158919433 345874920 /nfs/dbraw/zinc/87/49/20/345874920.db2.gz FXTIJLIZAXIONC-WCQYABFASA-N 2 0 237.347 0.341 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635625468 345899252 /nfs/dbraw/zinc/89/92/52/345899252.db2.gz BUFRFAXMVHZXLK-VXGBXAGGSA-N 2 0 241.379 0.737 20 0 BCADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000178408432 345915135 /nfs/dbraw/zinc/91/51/35/345915135.db2.gz LGTYHQVYMJTAJC-GHMZBOCLSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H](C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+](C)C ZINC000635677444 345974429 /nfs/dbraw/zinc/97/44/29/345974429.db2.gz SKSUMVOXBFYTAB-CKYFFXLPSA-N 2 0 239.363 0.535 20 0 BCADRP C[C@H](C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)[NH+](C)C ZINC000635677453 345974681 /nfs/dbraw/zinc/97/46/81/345974681.db2.gz SKSUMVOXBFYTAB-UMNHJUIQSA-N 2 0 239.363 0.535 20 0 BCADRP C[C@H](C(=O)N1C[C@@H](C)N(C)C[C@@H]1C)[NH+](C)C ZINC000635756720 346051263 /nfs/dbraw/zinc/05/12/63/346051263.db2.gz ICHKKQPBEYPIFO-OUAUKWLOSA-N 2 0 227.352 0.488 20 0 BCADRP CC[N@@H+]1C[C@@H](C)N(C(=O)[C@@H](C)[NH+](C)C)C[C@H]1C ZINC000635749215 346047908 /nfs/dbraw/zinc/04/79/08/346047908.db2.gz DYPXJRJTGKGGEX-IJLUTSLNSA-N 2 0 241.379 0.878 20 0 BCADRP C[C@H](C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)[NH+](C)C ZINC000635786049 346068936 /nfs/dbraw/zinc/06/89/36/346068936.db2.gz GCYLUHOJUNQZJR-WDEREUQCSA-N 2 0 239.363 0.703 20 0 BCADRP C[C@H](C(=O)N(C)CC[N@H+](C)C1CC1)C1C[NH2+]C1 ZINC000571043946 323105100 /nfs/dbraw/zinc/10/51/00/323105100.db2.gz GOXMBVHKVULHAB-JTQLQIEISA-N 2 0 239.363 0.395 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000449368030 201887496 /nfs/dbraw/zinc/88/74/96/201887496.db2.gz BMQSLQBAUURSJF-HBNTYKKESA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)[NH+](C)C ZINC000635856142 346091814 /nfs/dbraw/zinc/09/18/14/346091814.db2.gz KFDUUHOHSMFQDF-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000381494948 346106602 /nfs/dbraw/zinc/10/66/02/346106602.db2.gz BMEPKARAOJWLDY-OPRDCNLKSA-N 2 0 213.325 0.084 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635928443 346111015 /nfs/dbraw/zinc/11/10/15/346111015.db2.gz GLEBCSQXDXPQPC-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+](C)C ZINC000635944678 346118908 /nfs/dbraw/zinc/11/89/08/346118908.db2.gz LLTQOYIIQWYDGK-GHMZBOCLSA-N 2 0 229.368 0.781 20 0 BCADRP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ncc[nH]1 ZINC000635952071 346121813 /nfs/dbraw/zinc/12/18/13/346121813.db2.gz MELIEULAMIGXCR-ZJUUUORDSA-N 2 0 236.319 0.929 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+](C)C ZINC000635940483 346124519 /nfs/dbraw/zinc/12/45/19/346124519.db2.gz LLTQOYIIQWYDGK-WDEREUQCSA-N 2 0 229.368 0.781 20 0 BCADRP C[C@H](C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)[NH+](C)C ZINC000635975333 346130083 /nfs/dbraw/zinc/13/00/83/346130083.db2.gz XDYJGOLORQPJSJ-DGCLKSJQSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C)[NH+](C)C ZINC000635961930 346134405 /nfs/dbraw/zinc/13/44/05/346134405.db2.gz CGCAGHWRTYAISS-AXFHLTTASA-N 2 0 227.352 0.488 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC1(C)CC[NH2+]CC1 ZINC000381499659 346163676 /nfs/dbraw/zinc/16/36/76/346163676.db2.gz CCUGNXKWKLBTGP-VIFPVBQESA-N 2 0 213.325 0.100 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH2+]C ZINC000381534730 346286413 /nfs/dbraw/zinc/28/64/13/346286413.db2.gz DUNMHHPWQCZDQE-UWVGGRQHSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@@H](C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C)[NH+](C)C ZINC000636092745 346317331 /nfs/dbraw/zinc/31/73/31/346317331.db2.gz UYWFWEUZHZALBZ-GARJFASQSA-N 2 0 241.379 0.781 20 0 BCADRP C[NH+](C)CC(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000636092717 346317371 /nfs/dbraw/zinc/31/73/71/346317371.db2.gz UMQBMHPRQUOPRW-VHSXEESVSA-N 2 0 227.352 0.393 20 0 BCADRP C[NH+](C)CC(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000636092716 346317427 /nfs/dbraw/zinc/31/74/27/346317427.db2.gz UMQBMHPRQUOPRW-UWVGGRQHSA-N 2 0 227.352 0.393 20 0 BCADRP CC[C@H](C(=O)N1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000390747371 346324041 /nfs/dbraw/zinc/32/40/41/346324041.db2.gz AMFJPGXWRVUKLI-VHSXEESVSA-N 2 0 213.325 0.147 20 0 BCADRP CC[C@@H](C(N)=O)[NH+]1CCC(CC[NH3+])CC1 ZINC000069729971 349953947 /nfs/dbraw/zinc/95/39/47/349953947.db2.gz CXGMAUNCJMBQMB-JTQLQIEISA-N 2 0 213.325 0.311 20 0 BCADRP CCN(C(=O)[C@@H](C)[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC000636177003 346346775 /nfs/dbraw/zinc/34/67/75/346346775.db2.gz PIOIHDSMPDKJAT-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP CN(CC1C[NH+](C)C1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636181078 346348740 /nfs/dbraw/zinc/34/87/40/346348740.db2.gz UIPKIEBWFOWLEG-NSHDSACASA-N 2 0 239.363 0.348 20 0 BCADRP C[N@@H+]1CCCN(C(=O)CCCC[NH3+])CC1 ZINC000069732867 349954713 /nfs/dbraw/zinc/95/47/13/349954713.db2.gz XSHUKFHSUDLNBI-UHFFFAOYSA-N 2 0 213.325 0.280 20 0 BCADRP C[NH2+]CCN(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000069803234 349960490 /nfs/dbraw/zinc/96/04/90/349960490.db2.gz HAOUNAXNFKSCSK-UHFFFAOYSA-N 2 0 221.304 0.437 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000449471667 201935652 /nfs/dbraw/zinc/93/56/52/201935652.db2.gz DBABZUBKGDLVSS-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP COc1cc(CN(C)C2CC([NH3+])C2)on1 ZINC000641798756 362746863 /nfs/dbraw/zinc/74/68/63/362746863.db2.gz MFHFKQLQAOJOAX-UHFFFAOYSA-N 2 0 211.265 0.605 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000563451616 323126534 /nfs/dbraw/zinc/12/65/34/323126534.db2.gz NTWWFCQHGWLFSY-QWRGUYRKSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)Nc1ccncc1O ZINC000580831820 346474194 /nfs/dbraw/zinc/47/41/94/346474194.db2.gz HZRUUMNURIFDEH-SSDOTTSWSA-N 2 0 209.249 0.275 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000574974725 346478073 /nfs/dbraw/zinc/47/80/73/346478073.db2.gz NHIDJRLPGMCCBH-DBIOUOCHSA-N 2 0 225.336 0.099 20 0 BCADRP C[NH2+]CC1CC[NH+](CCc2cncn2C)CC1 ZINC000641797166 362741531 /nfs/dbraw/zinc/74/15/31/362741531.db2.gz WLUWQXRDHXOFFG-UHFFFAOYSA-N 2 0 236.363 0.894 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000580095795 346523689 /nfs/dbraw/zinc/52/36/89/346523689.db2.gz HTYQLJTWIVOCGC-UTUOFQBUSA-N 2 0 211.353 0.988 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)CC1(C[NH3+])CC1)C(F)F ZINC000580072593 346508765 /nfs/dbraw/zinc/50/87/65/346508765.db2.gz OBFLSRMPZQMVQF-SSDOTTSWSA-N 2 0 235.278 0.214 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CCCCOC)C1 ZINC000053033718 346509003 /nfs/dbraw/zinc/50/90/03/346509003.db2.gz SOFQQYCBQYEHNL-NSHDSACASA-N 2 0 200.326 0.954 20 0 BCADRP C[C@@H]1C[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC000580075098 346511041 /nfs/dbraw/zinc/51/10/41/346511041.db2.gz ULXXYTLNLAVZOH-LPWJVIDDSA-N 3 0 223.364 0.526 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000580071646 346511820 /nfs/dbraw/zinc/51/18/20/346511820.db2.gz CVRVXDDQOIWOLJ-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000580071856 346511927 /nfs/dbraw/zinc/51/19/27/346511927.db2.gz OVUSLKQSLXIHOG-KOLCDFICSA-N 2 0 225.336 0.337 20 0 BCADRP CCCN(C(=O)[C@@H]([NH3+])CC)C1CC[NH2+]CC1 ZINC000163306827 346555025 /nfs/dbraw/zinc/55/50/25/346555025.db2.gz MEDBHDJWBIMFDT-NSHDSACASA-N 2 0 227.352 0.714 20 0 BCADRP COC[C@H](CCO)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000300396420 346613408 /nfs/dbraw/zinc/61/34/08/346613408.db2.gz DPTCFWPEQQAINK-DCAQKATOSA-N 2 0 216.325 0.243 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000580192064 346646618 /nfs/dbraw/zinc/64/66/18/346646618.db2.gz VTVGOORRHKNAOF-SDDRHHMPSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC[C@H]1[NH3+] ZINC000580197451 346654314 /nfs/dbraw/zinc/65/43/14/346654314.db2.gz JNEMHPHRBIUUOK-IVZWLZJFSA-N 2 0 227.352 0.556 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000165605523 346655493 /nfs/dbraw/zinc/65/54/93/346655493.db2.gz UMQWUHUNOJLZJO-LBPRGKRZSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000165074369 346638230 /nfs/dbraw/zinc/63/82/30/346638230.db2.gz KINQXVYDFLUEKV-UHFFFAOYSA-N 2 0 219.288 0.966 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334156075 187370314 /nfs/dbraw/zinc/37/03/14/187370314.db2.gz XKCYHARKZLFPSG-AAEUAGOBSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](O)COCC2CC2)C1 ZINC000580216271 346699390 /nfs/dbraw/zinc/69/93/90/346699390.db2.gz SYLXOASXPDNPBP-AGIUHOORSA-N 2 0 242.363 0.633 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000577177264 365858981 /nfs/dbraw/zinc/85/89/81/365858981.db2.gz ODZPBNFDICMEDG-XZUYRWCXSA-N 2 0 237.347 0.230 20 0 BCADRP CCCNC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252699680 346780329 /nfs/dbraw/zinc/78/03/29/346780329.db2.gz VNZZCQQFAZKGFO-VWYCJHECSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H](C)C[NH3+] ZINC000380213165 347146848 /nfs/dbraw/zinc/14/68/48/347146848.db2.gz HNCZGNRECQRFDR-BDAKNGLRSA-N 2 0 201.314 0.071 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000309768749 347159225 /nfs/dbraw/zinc/15/92/25/347159225.db2.gz JYXDXZFONMMEJC-VHSXEESVSA-N 2 0 213.325 0.372 20 0 BCADRP Cn1cc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000087765867 362787152 /nfs/dbraw/zinc/78/71/52/362787152.db2.gz FJJYDYSPQGTDFV-NWDGAFQWSA-N 2 0 222.336 0.822 20 0 BCADRP CCOC(=O)[C@H](CC)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601326116 347208333 /nfs/dbraw/zinc/20/83/33/347208333.db2.gz KDKLZVLIDZNOOZ-MXWKQRLJSA-N 2 0 228.336 0.855 20 0 BCADRP C[C@@H]1CN(C(=O)NC/C=C/C[NH3+])C[C@H](C)[N@H+]1C ZINC000641862547 362790396 /nfs/dbraw/zinc/79/03/96/362790396.db2.gz PFNRMXWVVJBHMA-UZPIOYONSA-N 2 0 240.351 0.235 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000336753022 347217000 /nfs/dbraw/zinc/21/70/00/347217000.db2.gz WDTPBUVHEGQWNE-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000641941749 362807109 /nfs/dbraw/zinc/80/71/09/362807109.db2.gz JJHNKAZDGJDZRV-YTWAJWBKSA-N 2 0 240.351 0.258 20 0 BCADRP CCN1CCC[N@H+](CCn2ccnc2)CC1=O ZINC000190191158 347323089 /nfs/dbraw/zinc/32/30/89/347323089.db2.gz ZJQSKDSJXHSSHD-UHFFFAOYSA-N 2 0 236.319 0.437 20 0 BCADRP CC[NH2+]CCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000582111875 347325922 /nfs/dbraw/zinc/32/59/22/347325922.db2.gz KPYAZJUSMAOVAM-SNVBAGLBSA-N 2 0 228.340 0.023 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000571432008 323144630 /nfs/dbraw/zinc/14/46/30/323144630.db2.gz AHHOAZOIXUCMHU-ZJUUUORDSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000582116262 347377725 /nfs/dbraw/zinc/37/77/25/347377725.db2.gz LCCPDCURFZPVSC-RYUDHWBXSA-N 2 0 239.363 0.442 20 0 BCADRP COC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000053197145 347438496 /nfs/dbraw/zinc/43/84/96/347438496.db2.gz BNMDGABJFWOCDK-GHMZBOCLSA-N 2 0 200.326 0.953 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)[NH+]1CCCC1 ZINC000382969889 347515251 /nfs/dbraw/zinc/51/52/51/347515251.db2.gz QZMDSCLYCNNEQR-GHMZBOCLSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H](CNC(=O)[C@H](C)[NH2+]C1CC1)[NH+]1CCCC1 ZINC000382969891 347515456 /nfs/dbraw/zinc/51/54/56/347515456.db2.gz QZMDSCLYCNNEQR-QWRGUYRKSA-N 2 0 239.363 0.727 20 0 BCADRP CC[C@H](C)[C@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000319460258 323148949 /nfs/dbraw/zinc/14/89/49/323148949.db2.gz BJUXXLNEOKEIFV-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616995472 347572170 /nfs/dbraw/zinc/57/21/70/347572170.db2.gz RZXNXXOUTQSFRK-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000591430093 347655183 /nfs/dbraw/zinc/65/51/83/347655183.db2.gz XTCXSEATEJXJQT-UWVGGRQHSA-N 2 0 213.325 0.004 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000571653503 323151191 /nfs/dbraw/zinc/15/11/91/323151191.db2.gz SMSOIYZMAKFGPP-UTLUCORTSA-N 2 0 225.336 0.465 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000591726716 347692530 /nfs/dbraw/zinc/69/25/30/347692530.db2.gz LDZAATHMWNQNQO-NEPJUHHUSA-N 2 0 239.363 0.396 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000591726718 347693565 /nfs/dbraw/zinc/69/35/65/347693565.db2.gz LDZAATHMWNQNQO-RYUDHWBXSA-N 2 0 239.363 0.396 20 0 BCADRP Cn1cncc1CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000401759862 347761550 /nfs/dbraw/zinc/76/15/50/347761550.db2.gz ULEHBOVGYBHGNY-MNOVXSKESA-N 2 0 222.336 0.822 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000343595578 133698638 /nfs/dbraw/zinc/69/86/38/133698638.db2.gz LSZHMJWESSINIB-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP COC(=O)CC1(C[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000592471469 347790159 /nfs/dbraw/zinc/79/01/59/347790159.db2.gz HNDSOUMYKMDCTR-JTQLQIEISA-N 2 0 226.320 0.610 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000592475117 347791304 /nfs/dbraw/zinc/79/13/04/347791304.db2.gz QNVRZGLRQRBZGB-SECBINFHSA-N 2 0 247.408 0.510 20 0 BCADRP CCn1ccnc1/C=C\C(=O)N[C@H](C)CC[NH3+] ZINC000493400136 347791310 /nfs/dbraw/zinc/79/13/10/347791310.db2.gz IVXVEFCUCUTRAS-UMCURTJPSA-N 2 0 236.319 0.770 20 0 BCADRP CC[N@H+](C)CCNC(=O)NC1CC[NH+](C)CC1 ZINC000194835112 259398545 /nfs/dbraw/zinc/39/85/45/259398545.db2.gz SAYXUWFPXUWZNJ-UHFFFAOYSA-N 2 0 242.367 0.332 20 0 BCADRP [NH3+]CCCCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000070202613 349977113 /nfs/dbraw/zinc/97/71/13/349977113.db2.gz QHTAXTOMVDKJOI-UHFFFAOYSA-N 2 0 239.363 0.670 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)CCCC[NH3+])C1 ZINC000070203082 349977140 /nfs/dbraw/zinc/97/71/40/349977140.db2.gz DHKDDOIMUKVLLN-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](C(=O)N(C)Cc1ncc[nH]1)N1CC(C)C1 ZINC000577386360 365941614 /nfs/dbraw/zinc/94/16/14/365941614.db2.gz PQRUOJUJSOZQMT-SNVBAGLBSA-N 2 0 236.319 0.708 20 0 BCADRP C[C@H](C(=O)NC[C@H]1CC[N@H+](C)C1)N1CC(C)C1 ZINC000577386876 365941650 /nfs/dbraw/zinc/94/16/50/365941650.db2.gz VUKYAYHFGWIPMG-VXGBXAGGSA-N 2 0 239.363 0.395 20 0 BCADRP CCOC(=O)CC[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000593735023 347938542 /nfs/dbraw/zinc/93/85/42/347938542.db2.gz UQCGSHVEFLZLCO-GHMZBOCLSA-N 2 0 244.335 0.235 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000577367538 365935091 /nfs/dbraw/zinc/93/50/91/365935091.db2.gz SJZKGAGQTIQTKO-LSJOCFKGSA-N 2 0 225.336 0.180 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000296508709 179325234 /nfs/dbraw/zinc/32/52/34/179325234.db2.gz RJYOZKMDOUOUSP-CMPLNLGQSA-N 2 0 235.331 0.848 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)c2coc(C[NH3+])c2)CC[NH2+]1 ZINC000577394192 365943982 /nfs/dbraw/zinc/94/39/82/365943982.db2.gz UJJKBRSYINHZJW-SCZZXKLOSA-N 2 0 237.303 0.609 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000577392070 365944497 /nfs/dbraw/zinc/94/44/97/365944497.db2.gz LVCJPISKJVZOPJ-HBNTYKKESA-N 2 0 242.367 0.506 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000362514105 187383217 /nfs/dbraw/zinc/38/32/17/187383217.db2.gz VLEHQPYDRVSMAY-LBPRGKRZSA-N 2 0 241.379 0.879 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000577404656 365947309 /nfs/dbraw/zinc/94/73/09/365947309.db2.gz NYWSKKHNGDXMSP-STQMWFEESA-N 2 0 243.395 0.373 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368687386 187384376 /nfs/dbraw/zinc/38/43/76/187384376.db2.gz KLTBYFYAYIRFAK-GARJFASQSA-N 2 0 239.363 0.428 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000368126368 187384428 /nfs/dbraw/zinc/38/44/28/187384428.db2.gz QMAHMVMPPMVUGU-SRVKXCTJSA-N 2 0 239.363 0.428 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371232243 187385309 /nfs/dbraw/zinc/38/53/09/187385309.db2.gz RJCCOINWTYFPAV-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000368126369 187383919 /nfs/dbraw/zinc/38/39/19/187383919.db2.gz QMAHMVMPPMVUGU-TUAOUCFPSA-N 2 0 239.363 0.428 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000295285010 179341783 /nfs/dbraw/zinc/34/17/83/179341783.db2.gz WQBJQEJVVJESLW-YPMHNXCESA-N 2 0 247.342 0.815 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000296508710 179342768 /nfs/dbraw/zinc/34/27/68/179342768.db2.gz RJYOZKMDOUOUSP-JQWIXIFHSA-N 2 0 235.331 0.848 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1C ZINC000195316602 259399832 /nfs/dbraw/zinc/39/98/32/259399832.db2.gz YOBAFWSYEHFQDR-NSHDSACASA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1=NCCS1 ZINC000368578449 187391321 /nfs/dbraw/zinc/39/13/21/187391321.db2.gz NCCQCRYKADVDRF-HTQZYQBOSA-N 2 0 227.333 0.594 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000449558603 201968399 /nfs/dbraw/zinc/96/83/99/201968399.db2.gz YLFDMJHWXVQCAW-QJPTWQEYSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000335106979 187393679 /nfs/dbraw/zinc/39/36/79/187393679.db2.gz DUDBGSOLAJLGBH-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP CC/C=C/C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000563881279 323182814 /nfs/dbraw/zinc/18/28/14/323182814.db2.gz FJAPNMHWNHJOJH-IHVVCDCBSA-N 2 0 241.379 0.151 20 0 BCADRP C[C@H](CNC(=O)[C@H]([NH3+])CC(F)F)[NH+]1CCCC1 ZINC000383341382 348348485 /nfs/dbraw/zinc/34/84/85/348348485.db2.gz KQQPHOGUBWVMKQ-RKDXNWHRSA-N 2 0 249.305 0.569 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)C(C)(C)[NH3+] ZINC000309010430 323184226 /nfs/dbraw/zinc/18/42/26/323184226.db2.gz RQIZLAIEOPGMFP-MRVPVSSYSA-N 2 0 201.314 0.357 20 0 BCADRP O[C@H](C[NH2+][C@@H]1C[C@H]2C[C@H]2C1)C[NH+]1CCCC1 ZINC000397782082 362910428 /nfs/dbraw/zinc/91/04/28/362910428.db2.gz WOAVQGJKWZJYEH-YVECIDJPSA-N 2 0 224.348 0.831 20 0 BCADRP CCC[C@@H](C[NH2+]CC1(O)CC[NH+](C)CC1)OC ZINC000397698076 362900805 /nfs/dbraw/zinc/90/08/05/362900805.db2.gz ZSFNLALUKLTHHA-LBPRGKRZSA-N 2 0 244.379 0.848 20 0 BCADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CCN2C1=O ZINC000595902933 348395019 /nfs/dbraw/zinc/39/50/19/348395019.db2.gz IPSACSQMUQJPJG-NZEXEKPDSA-N 2 0 249.358 0.276 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CCN2C1=O ZINC000595902932 348395040 /nfs/dbraw/zinc/39/50/40/348395040.db2.gz IPSACSQMUQJPJG-FPYNETTCSA-N 2 0 249.358 0.276 20 0 BCADRP COC(=O)[C@@H]1CCN(CC[NH3+])C[C@@H]1C ZINC000595905028 348396315 /nfs/dbraw/zinc/39/63/15/348396315.db2.gz OLUWJUPSLZYCCB-DTWKUNHWSA-N 2 0 200.282 0.076 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000070318089 323186502 /nfs/dbraw/zinc/18/65/02/323186502.db2.gz OLNPJNCRIZTQQD-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000333643044 538008120 /nfs/dbraw/zinc/00/81/20/538008120.db2.gz IPJGTAAKMIFMEB-DCAQKATOSA-N 2 0 240.351 0.130 20 0 BCADRP COC(=O)[C@H]1CC[N@H+](Cc2cnc3n2CCC3)C1 ZINC000596981972 348642548 /nfs/dbraw/zinc/64/25/48/348642548.db2.gz SXVKZXMEUVZELX-JTQLQIEISA-N 2 0 249.314 0.824 20 0 BCADRP COC(=O)[C@H]1CC[N@H+](Cc2cnc(C)n2C)C1 ZINC000596981368 348642849 /nfs/dbraw/zinc/64/28/49/348642849.db2.gz MLKCAVIKMMNNBB-JTQLQIEISA-N 2 0 237.303 0.723 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H](C)CC[NH3+] ZINC000309021989 323194581 /nfs/dbraw/zinc/19/45/81/323194581.db2.gz XSQKAUKOBHWBAX-VIFPVBQESA-N 2 0 201.314 0.228 20 0 BCADRP COC[C@H](C)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000308838206 348771474 /nfs/dbraw/zinc/77/14/74/348771474.db2.gz MEAPISFNJGVIIS-IJLUTSLNSA-N 2 0 212.337 0.953 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C[NH2+]C1CC1 ZINC000054133656 348892279 /nfs/dbraw/zinc/89/22/79/348892279.db2.gz UNRSEIQRCZZLJS-UHFFFAOYSA-N 2 0 213.325 0.195 20 0 BCADRP CCCC[NH+]1CCC(NC(=O)[C@H](C)[NH2+]C)CC1 ZINC000054072865 348888573 /nfs/dbraw/zinc/88/85/73/348888573.db2.gz MHHGKOBZXVQZPG-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000054074462 348889594 /nfs/dbraw/zinc/88/95/94/348889594.db2.gz DAKCGJDQNXMKIX-VHSXEESVSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C1(C)C[NH2+]C1 ZINC000399248333 323201719 /nfs/dbraw/zinc/20/17/19/323201719.db2.gz LKZJRAKUASSFKW-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+]CCCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000519593085 323203740 /nfs/dbraw/zinc/20/37/40/323203740.db2.gz QSLPCAUESXACNG-LLVKDONJSA-N 2 0 242.367 0.509 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000449591848 201979575 /nfs/dbraw/zinc/97/95/75/201979575.db2.gz NFJSTVZFIIEXPD-NGDQXYMTSA-N 2 0 239.363 0.759 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000248838490 349142425 /nfs/dbraw/zinc/14/24/25/349142425.db2.gz DXYUMDPCPVYYOL-UTLUCORTSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](C(=O)NCC[C@H]1CCC[NH2+]C1)[C@H](C)[NH3+] ZINC000248964188 349157329 /nfs/dbraw/zinc/15/73/29/349157329.db2.gz CHHWVCBVMPGAOD-OUAUKWLOSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000253008804 349226233 /nfs/dbraw/zinc/22/62/33/349226233.db2.gz AEJGRXDNDKEYAB-HBNTYKKESA-N 2 0 200.326 0.863 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC[N@H+](C)C1CC1 ZINC000059931518 349259770 /nfs/dbraw/zinc/25/97/70/349259770.db2.gz WXVNAMBSCHGTSA-UHFFFAOYSA-N 2 0 227.352 0.585 20 0 BCADRP CCO[C@@H]1C[N@H+](CCCCOC)C[C@H]1C[NH3+] ZINC000405889071 490245441 /nfs/dbraw/zinc/24/54/41/490245441.db2.gz WHGABGLUJVZPAY-VXGBXAGGSA-N 2 0 230.352 0.709 20 0 BCADRP COC(=O)[C@H](C)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000309005881 349285263 /nfs/dbraw/zinc/28/52/63/349285263.db2.gz NBLALNCXZVEGQL-IVZWLZJFSA-N 2 0 212.293 0.089 20 0 BCADRP C[NH2+]CCC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000309014363 349303910 /nfs/dbraw/zinc/30/39/10/349303910.db2.gz TTWKXEWYFCELQK-SNVBAGLBSA-N 2 0 201.314 0.086 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000449604435 201984086 /nfs/dbraw/zinc/98/40/86/201984086.db2.gz SWNPILCBVKHQIG-DTHBNOIPSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)CCC[NH3+])C[C@@H]1C[NH3+] ZINC000422537483 192424750 /nfs/dbraw/zinc/42/47/50/192424750.db2.gz GYMOXNMOYBPUBS-VWYCJHECSA-N 2 0 227.352 0.557 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000070618561 350030991 /nfs/dbraw/zinc/03/09/91/350030991.db2.gz RDVOIOLGEABASY-NSHDSACASA-N 2 0 213.325 0.196 20 0 BCADRP COC(=O)[C@@]1(C)C[N@H+](CC(C)(C)[NH3+])C[C@@H]1C ZINC000602018443 349417981 /nfs/dbraw/zinc/41/79/81/349417981.db2.gz CALNACDMDFHTTQ-CABZTGNLSA-N 2 0 228.336 0.855 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563103440 350057175 /nfs/dbraw/zinc/05/71/75/350057175.db2.gz XIPYCHNHQDRVIN-JLLWLGSASA-N 2 0 237.347 0.480 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NC(C)(C)CC[NH3+] ZINC000422614422 192430470 /nfs/dbraw/zinc/43/04/70/192430470.db2.gz YPQQMXHRDNUDRG-JTQLQIEISA-N 2 0 244.383 0.931 20 0 BCADRP CC(C)([NH3+])CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000071137283 350087895 /nfs/dbraw/zinc/08/78/95/350087895.db2.gz CWTSWQHDYLATKY-NSHDSACASA-N 2 0 211.353 0.894 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1cccc(O)c1 ZINC000071148907 350089416 /nfs/dbraw/zinc/08/94/16/350089416.db2.gz IAVXDMLXEMPETP-UHFFFAOYSA-N 2 0 249.358 0.729 20 0 BCADRP CC[N@H+](C)CCN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422709765 192437466 /nfs/dbraw/zinc/43/74/66/192437466.db2.gz DYVZCSNMEMYVIW-QWHCGFSZSA-N 2 0 241.379 0.295 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C[C@H](C[NH3+])OC ZINC000219245948 350118303 /nfs/dbraw/zinc/11/83/03/350118303.db2.gz IJQNMRRYHWNWDA-LLVKDONJSA-N 2 0 245.367 0.198 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000449609858 201985583 /nfs/dbraw/zinc/98/55/83/201985583.db2.gz OSEPHMNTWWJEMY-JBLDHEPKSA-N 2 0 227.352 0.748 20 0 BCADRP CCCNC(=O)CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422728363 192444724 /nfs/dbraw/zinc/44/47/24/192444724.db2.gz FYRFVDFOVVCCTO-NEPJUHHUSA-N 2 0 241.379 0.880 20 0 BCADRP C[C@@H]1CC[C@H](C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)O1 ZINC000251755055 538055566 /nfs/dbraw/zinc/05/55/66/538055566.db2.gz JXMXGRKMZQDVEH-NOOOWODRSA-N 2 0 210.321 0.705 20 0 BCADRP CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637014511 350140118 /nfs/dbraw/zinc/14/01/18/350140118.db2.gz GKRJKHBSLHLPMK-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H](C)N1CCOCC1 ZINC000422740078 192448873 /nfs/dbraw/zinc/44/88/73/192448873.db2.gz MGABPHVSKZUNGX-FRRDWIJNSA-N 2 0 243.395 0.813 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000428441431 191073012 /nfs/dbraw/zinc/07/30/12/191073012.db2.gz VYKAOQSZUBUYSV-GRYCIOLGSA-N 2 0 239.363 0.680 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000428442527 191073613 /nfs/dbraw/zinc/07/36/13/191073613.db2.gz UOTADDVEUPMKND-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@H](C)[NH+](C)C ZINC000068064574 350188782 /nfs/dbraw/zinc/18/87/82/350188782.db2.gz IXHUBAHZWRETDM-JTQLQIEISA-N 2 0 215.341 0.395 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000427604379 191083658 /nfs/dbraw/zinc/08/36/58/191083658.db2.gz PBJYPOAVNGOWLW-OUAUKWLOSA-N 2 0 227.352 0.618 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000426433319 191083680 /nfs/dbraw/zinc/08/36/80/191083680.db2.gz NOBLTZOIKVBPRY-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000427615010 191084819 /nfs/dbraw/zinc/08/48/19/191084819.db2.gz ZCKODAPEEOZPPS-JFGNBEQYSA-N 2 0 225.336 0.100 20 0 BCADRP C[N@H+]1C[C@@H]2C[NH+](CCC(C)(C)O)C[C@@H]2C1 ZINC000365520040 350326976 /nfs/dbraw/zinc/32/69/76/350326976.db2.gz XHMQJORMSDIKSA-PHIMTYICSA-N 2 0 212.337 0.641 20 0 BCADRP CC[NH+](CC)CCCNC(=O)NCCC[NH3+] ZINC000224136488 350310866 /nfs/dbraw/zinc/31/08/66/350310866.db2.gz LEYLDOOKAMHDGI-UHFFFAOYSA-N 2 0 230.356 0.366 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CC[C@H](C)[NH3+])C1 ZINC000309393046 350367245 /nfs/dbraw/zinc/36/72/45/350367245.db2.gz GEWWQFKXAMPQAV-IVZWLZJFSA-N 2 0 213.325 0.310 20 0 BCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000168720265 535127093 /nfs/dbraw/zinc/12/70/93/535127093.db2.gz WUWCFGRNKAKNTE-NSHDSACASA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000069803260 350403393 /nfs/dbraw/zinc/40/33/93/350403393.db2.gz UODDYSMGEPEAJB-SNVBAGLBSA-N 2 0 225.336 0.054 20 0 BCADRP CC[NH+]1CCC(NC(=O)CC[C@H](C)[NH3+])CC1 ZINC000069839642 350414738 /nfs/dbraw/zinc/41/47/38/350414738.db2.gz RQRPCJIJIUVPQI-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245183 180338260 /nfs/dbraw/zinc/33/82/60/180338260.db2.gz SFFFQHFYCOHLLS-LLVKDONJSA-N 2 0 222.336 0.818 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000309301873 323341602 /nfs/dbraw/zinc/34/16/02/323341602.db2.gz UGACKZJWHLSCOT-AEJSXWLSSA-N 2 0 213.325 0.165 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000637340959 350467083 /nfs/dbraw/zinc/46/70/83/350467083.db2.gz YLAUCSNCLWTGKC-UHFFFAOYSA-N 2 0 242.367 0.365 20 0 BCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCC[NH3+])C1 ZINC000637370439 350491059 /nfs/dbraw/zinc/49/10/59/350491059.db2.gz BWRPREONLBHWJI-LLVKDONJSA-N 2 0 242.367 0.507 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@](C)(C[NH3+])C1)[NH+](C)C ZINC000262187235 535131693 /nfs/dbraw/zinc/13/16/93/535131693.db2.gz ZKERIBJVXGVVPZ-WCQYABFASA-N 2 0 241.379 0.770 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CC[NH2+]1 ZINC000384793647 350534647 /nfs/dbraw/zinc/53/46/47/350534647.db2.gz WEAYSEMKGBQJGW-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP CCC[NH+]1CCC([NH2+]C[C@@H](O)COC)CC1 ZINC000070558913 350537843 /nfs/dbraw/zinc/53/78/43/350537843.db2.gz REOKDOMBTXZANJ-GFCCVEGCSA-N 2 0 230.352 0.458 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000309464300 350538681 /nfs/dbraw/zinc/53/86/81/350538681.db2.gz PLRJBRPKXGBQIN-UWVGGRQHSA-N 2 0 213.325 0.169 20 0 BCADRP CN1CC[C@@H]([N@@H+]2CCC[C@H](CC[NH3+])C2)C1=O ZINC000070583869 350543941 /nfs/dbraw/zinc/54/39/41/350543941.db2.gz SBCSBPHSZMJWIF-GHMZBOCLSA-N 2 0 225.336 0.278 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248597466 191108876 /nfs/dbraw/zinc/10/88/76/191108876.db2.gz IJORVWYXHBXQSA-SRVKXCTJSA-N 2 0 239.363 0.522 20 0 BCADRP CC[NH+](CC)CCCN1CC[C@H](C[NH3+])C1 ZINC000019517797 350558113 /nfs/dbraw/zinc/55/81/13/350558113.db2.gz TXSSREUYWMYLSP-GFCCVEGCSA-N 2 0 213.369 0.999 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000309452919 323410461 /nfs/dbraw/zinc/41/04/61/323410461.db2.gz MYYQJIYFBMGOKO-UTLUCORTSA-N 2 0 213.325 0.084 20 0 BCADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000665281231 490689240 /nfs/dbraw/zinc/68/92/40/490689240.db2.gz XVQAOKFJJBWWTE-VHSXEESVSA-N 2 0 236.381 0.383 20 0 BCADRP C[C@@H](C(=O)N1CCC(C[NH3+])CC1)[C@H](C)[NH3+] ZINC000309506564 350679020 /nfs/dbraw/zinc/67/90/20/350679020.db2.gz VZRYRRAKHWNEPW-BDAKNGLRSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NC1(C[NH3+])CCCC1 ZINC000309505139 350679985 /nfs/dbraw/zinc/67/99/85/350679985.db2.gz VSSYFGNEMAJPSC-DTWKUNHWSA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CCC[NH2+]1 ZINC000309514192 350693844 /nfs/dbraw/zinc/69/38/44/350693844.db2.gz YCIKLNREJJMFGC-ZJUUUORDSA-N 2 0 213.325 0.228 20 0 BCADRP C(CNC1=[NH+]CCCN1)C[NH+]1CCCC1 ZINC000303255820 191121782 /nfs/dbraw/zinc/12/17/82/191121782.db2.gz HGEYOOFCVGUNIF-UHFFFAOYSA-N 2 0 210.325 0.411 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000336680832 191126042 /nfs/dbraw/zinc/12/60/42/191126042.db2.gz RIGGCOQNXYVBMI-KOLCDFICSA-N 2 0 213.325 0.086 20 0 BCADRP CCCn1ncnc1CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000216160408 350922069 /nfs/dbraw/zinc/92/20/69/350922069.db2.gz XOPUEHIYVAFZRF-WDEREUQCSA-N 2 0 237.351 0.857 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000577608212 366016110 /nfs/dbraw/zinc/01/61/10/366016110.db2.gz ZGGUAHJFZAASGR-WDEREUQCSA-N 2 0 227.352 0.490 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)CC1([NH3+])CC1 ZINC000398051670 362993521 /nfs/dbraw/zinc/99/35/21/362993521.db2.gz ASCIDUBSHXANJL-VIFPVBQESA-N 2 0 211.309 0.078 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079510247 351067971 /nfs/dbraw/zinc/06/79/71/351067971.db2.gz PGIULHUTSLJFCH-CYBMUJFWSA-N 2 0 241.379 0.833 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000079520755 351071088 /nfs/dbraw/zinc/07/10/88/351071088.db2.gz FASPUJVCHKVRFO-ZDUSSCGKSA-N 2 0 241.379 0.929 20 0 BCADRP COCC[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000380187335 351381176 /nfs/dbraw/zinc/38/11/76/351381176.db2.gz PLSPYENFXPVFQE-CHWSQXEVSA-N 2 0 241.379 0.391 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000572035679 323528048 /nfs/dbraw/zinc/52/80/48/323528048.db2.gz KLRXIQAFFHMENL-NXEZZACHSA-N 2 0 225.336 0.087 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000577625653 366024341 /nfs/dbraw/zinc/02/43/41/366024341.db2.gz OXARJTXEAOJEHL-ZYHUDNBSSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]2CO)CC[NH2+]1 ZINC000414680956 351588041 /nfs/dbraw/zinc/58/80/41/351588041.db2.gz NSUQSTWIHRODOZ-IJLUTSLNSA-N 2 0 212.337 0.831 20 0 BCADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000577620867 366021200 /nfs/dbraw/zinc/02/12/00/366021200.db2.gz DLLHQECPCATCSD-AXFHLTTASA-N 2 0 225.336 0.276 20 0 BCADRP C[N@H+](CC(=O)NCCC[NH3+])CC(C)(C)C ZINC000637801989 351633748 /nfs/dbraw/zinc/63/37/48/351633748.db2.gz LALKKRCNUMBBEO-UHFFFAOYSA-N 2 0 215.341 0.429 20 0 BCADRP C[N@H+](CC(=O)N1CC[C@@H]([NH3+])C1)CC(C)(C)C ZINC000637802418 351635462 /nfs/dbraw/zinc/63/54/62/351635462.db2.gz QXIRWBUCWUOMAO-SNVBAGLBSA-N 2 0 227.352 0.524 20 0 BCADRP C[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC000637806697 351643787 /nfs/dbraw/zinc/64/37/87/351643787.db2.gz VSALIPSZYVPDGS-UHFFFAOYSA-N 2 0 229.368 0.690 20 0 BCADRP C[N@H+](CC(=O)N[C@@H]1CCC[NH2+]C1)CC(C)(C)C ZINC000637806606 351643944 /nfs/dbraw/zinc/64/39/44/351643944.db2.gz YWZFCZQXIYWKDF-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000637814239 351659243 /nfs/dbraw/zinc/65/92/43/351659243.db2.gz JURXRYQRVOQZTC-KOLCDFICSA-N 2 0 223.320 0.150 20 0 BCADRP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000637819702 351659827 /nfs/dbraw/zinc/65/98/27/351659827.db2.gz KPCSAAQVPYWGFM-GMTAPVOTSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000637819704 351660085 /nfs/dbraw/zinc/66/00/85/351660085.db2.gz KPCSAAQVPYWGFM-MXWKQRLJSA-N 2 0 227.352 0.441 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000637820321 351660548 /nfs/dbraw/zinc/66/05/48/351660548.db2.gz CTEWRFISRQHSQR-NSHDSACASA-N 2 0 237.347 0.422 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@H]([NH3+])CCC(C)C)C1 ZINC000637835350 351686448 /nfs/dbraw/zinc/68/64/48/351686448.db2.gz MJBQPDJYHIKGIR-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]([NH3+])CCC(C)C)C1 ZINC000637835347 351686888 /nfs/dbraw/zinc/68/68/88/351686888.db2.gz MJBQPDJYHIKGIR-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000637834600 351688540 /nfs/dbraw/zinc/68/85/40/351688540.db2.gz YICNFYWZAJZFGV-VHSXEESVSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000637838828 351689244 /nfs/dbraw/zinc/68/92/44/351689244.db2.gz CPQZKQQZMGKQOT-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH2+]C1 ZINC000637837366 351691383 /nfs/dbraw/zinc/69/13/83/351691383.db2.gz FJENVYPZESNHRZ-MNOVXSKESA-N 2 0 225.336 0.149 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000637849108 351706902 /nfs/dbraw/zinc/70/69/02/351706902.db2.gz WKAOSFDMCJXEEA-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H](C)[NH2+]1 ZINC000637840610 351695543 /nfs/dbraw/zinc/69/55/43/351695543.db2.gz PMVJPALTVUUIQP-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@](C)(C[NH3+])C2CC2)C1 ZINC000637840309 351695629 /nfs/dbraw/zinc/69/56/29/351695629.db2.gz GKEFTXYDOLHUFW-MFKMUULPSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H](C)[NH2+]1 ZINC000637841087 351696626 /nfs/dbraw/zinc/69/66/26/351696626.db2.gz QFAWNLRXBZOYSJ-TUAOUCFPSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000637840955 351696719 /nfs/dbraw/zinc/69/67/19/351696719.db2.gz JKQVFBULARRMOW-GXSJLCMTSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[NH+](C)C ZINC000637841612 351697546 /nfs/dbraw/zinc/69/75/46/351697546.db2.gz UIURYZPBPUXVLX-KXUCPTDWSA-N 2 0 213.325 0.145 20 0 BCADRP C[C@](C[NH3+])(NC(=O)C1=CC[C@H]([NH3+])C1)C1CC1 ZINC000637841918 351698493 /nfs/dbraw/zinc/69/84/93/351698493.db2.gz MUVREKQVKKOZOJ-CMPLNLGQSA-N 2 0 223.320 0.278 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[NH+](C)C ZINC000637844121 351699552 /nfs/dbraw/zinc/69/95/52/351699552.db2.gz DRPLCJWEYHXCEW-OPRDCNLKSA-N 2 0 213.325 0.132 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000637844957 351700575 /nfs/dbraw/zinc/70/05/75/351700575.db2.gz SXPZYOLXLGUVIC-ZJUUUORDSA-N 2 0 213.325 0.276 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N(C)[C@H](C)C[NH3+] ZINC000637843146 351701798 /nfs/dbraw/zinc/70/17/98/351701798.db2.gz WLNPDCDXGZYDMR-ZJUUUORDSA-N 2 0 215.341 0.556 20 0 BCADRP C[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000637846692 351704484 /nfs/dbraw/zinc/70/44/84/351704484.db2.gz YLTMCRAVFFUFIO-DVVUODLYSA-N 2 0 223.320 0.230 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]([NH3+])CCC(C)C)C1 ZINC000637821446 351665966 /nfs/dbraw/zinc/66/59/66/351665966.db2.gz BLQJIQLKKTWDIL-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC000637821958 351666519 /nfs/dbraw/zinc/66/65/19/351666519.db2.gz GJYRSPPTBRPPHU-GRYCIOLGSA-N 2 0 239.363 0.524 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])C1 ZINC000637822571 351667487 /nfs/dbraw/zinc/66/74/87/351667487.db2.gz LCXDIABYOARGCC-MNOVXSKESA-N 2 0 227.352 0.557 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]C[C@H]1C ZINC000577725795 366043796 /nfs/dbraw/zinc/04/37/96/366043796.db2.gz PWCHKFRTSBLEPW-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000577725805 366044513 /nfs/dbraw/zinc/04/45/13/366044513.db2.gz QQPPSUMSNSFOIO-SRVKXCTJSA-N 2 0 241.379 0.995 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000637825867 351671325 /nfs/dbraw/zinc/67/13/25/351671325.db2.gz BANLJKVVEWVGMQ-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000637828089 351671515 /nfs/dbraw/zinc/67/15/15/351671515.db2.gz BEIGUHGNBKDKRJ-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCCC[NH2+]C(C)C ZINC000637828138 351671717 /nfs/dbraw/zinc/67/17/17/351671717.db2.gz CCMIBHIVEMCBMA-JTQLQIEISA-N 2 0 215.341 0.489 20 0 BCADRP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000637826958 351674925 /nfs/dbraw/zinc/67/49/25/351674925.db2.gz KVMOPUFVQDIEKK-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000577731782 366046735 /nfs/dbraw/zinc/04/67/35/366046735.db2.gz SHNJXIZLPIGXKQ-DTWKUNHWSA-N 2 0 249.305 0.699 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000577731832 366046769 /nfs/dbraw/zinc/04/67/69/366046769.db2.gz VMIQDQLNCBEUDH-DCAQKATOSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CCC1C[NH2+]C1 ZINC000637853916 351716509 /nfs/dbraw/zinc/71/65/09/351716509.db2.gz SXAJZPDUGQMTKL-VXGBXAGGSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2OCC[C@@H]2[NH3+])cc1 ZINC000637857989 351718583 /nfs/dbraw/zinc/71/85/83/351718583.db2.gz WBSAOBOYBAZUHW-JFUSQASVSA-N 2 0 249.314 0.761 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC([NH3+])(CC)CC ZINC000637858374 351719307 /nfs/dbraw/zinc/71/93/07/351719307.db2.gz AMBHSXOFBJPVQI-VIFPVBQESA-N 2 0 215.341 0.618 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000637860879 351722197 /nfs/dbraw/zinc/72/21/97/351722197.db2.gz DWOOPYBNHCTRBJ-QWRGUYRKSA-N 2 0 229.368 0.816 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637862002 351722697 /nfs/dbraw/zinc/72/26/97/351722697.db2.gz MDWFXTNDBBFPML-RYUDHWBXSA-N 2 0 239.363 0.866 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CCC1C[NH2+]C1 ZINC000637864492 351725958 /nfs/dbraw/zinc/72/59/58/351725958.db2.gz NOZZJUIYMRHQEG-LBPRGKRZSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1[NH3+] ZINC000637848209 351708327 /nfs/dbraw/zinc/70/83/27/351708327.db2.gz NHBFUXZAJAKTTP-QWRGUYRKSA-N 2 0 239.363 0.524 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000637851209 351709747 /nfs/dbraw/zinc/70/97/47/351709747.db2.gz ZERKZPSOFVQEQY-SNVBAGLBSA-N 2 0 239.319 0.760 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637852488 351710974 /nfs/dbraw/zinc/71/09/74/351710974.db2.gz WDUCIXRQCAHMRU-ZYHUDNBSSA-N 2 0 225.336 0.524 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637856413 351715422 /nfs/dbraw/zinc/71/54/22/351715422.db2.gz AYCUSYMFCLTVLP-JTQLQIEISA-N 2 0 223.320 0.244 20 0 BCADRP CN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000206532231 363090136 /nfs/dbraw/zinc/09/01/36/363090136.db2.gz AJOBILXFWLAPCA-SNVBAGLBSA-N 2 0 213.325 0.101 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000638047434 351926560 /nfs/dbraw/zinc/92/65/60/351926560.db2.gz HNNXLYMZAPJZRO-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638049841 351927121 /nfs/dbraw/zinc/92/71/21/351927121.db2.gz OZHWCLXCMMLBGU-NEPJUHHUSA-N 2 0 237.347 0.634 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)NCC[NH+]2CCCC2)C1 ZINC000638055273 351930357 /nfs/dbraw/zinc/93/03/57/351930357.db2.gz HISSMURMJNGDAB-NSHDSACASA-N 2 0 223.320 0.246 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000638071932 351943192 /nfs/dbraw/zinc/94/31/92/351943192.db2.gz IJINOKZVCISONS-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000638071653 351943577 /nfs/dbraw/zinc/94/35/77/351943577.db2.gz HAVPFXRCZISNTB-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000638071078 351943848 /nfs/dbraw/zinc/94/38/48/351943848.db2.gz ZSIIGIZUIVIOAM-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)NC[C@H](C)C[NH3+] ZINC000638144249 352007456 /nfs/dbraw/zinc/00/74/56/352007456.db2.gz MESRYJUZUBNUEG-SSDOTTSWSA-N 2 0 225.292 0.371 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000638079529 351952960 /nfs/dbraw/zinc/95/29/60/351952960.db2.gz UGWSOYZLCUWUPE-NEPJUHHUSA-N 2 0 241.379 0.831 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638085532 351962419 /nfs/dbraw/zinc/96/24/19/351962419.db2.gz MGZDSVHGXYTPPQ-CMPLNLGQSA-N 2 0 237.347 0.492 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638086335 351963939 /nfs/dbraw/zinc/96/39/39/351963939.db2.gz XZPWWACZMQXIMZ-GXSJLCMTSA-N 2 0 225.336 0.490 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000638093133 351971854 /nfs/dbraw/zinc/97/18/54/351971854.db2.gz BOOVQHQVJWTNCV-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000638094338 351974594 /nfs/dbraw/zinc/97/45/94/351974594.db2.gz HKBJALLZVGABOM-OLZOCXBDSA-N 2 0 249.358 0.731 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638096577 351976734 /nfs/dbraw/zinc/97/67/34/351976734.db2.gz JSIKBNSHVFVYFH-ZYHUDNBSSA-N 2 0 239.363 0.880 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638096575 351976960 /nfs/dbraw/zinc/97/69/60/351976960.db2.gz JSIKBNSHVFVYFH-JQWIXIFHSA-N 2 0 239.363 0.880 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000638096612 351977093 /nfs/dbraw/zinc/97/70/93/351977093.db2.gz KNWUKDUCDNVEEA-QWRGUYRKSA-N 2 0 229.368 0.831 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000638098318 351977820 /nfs/dbraw/zinc/97/78/20/351977820.db2.gz BLWDHLXHMICNKB-ZYHUDNBSSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000638099655 351979591 /nfs/dbraw/zinc/97/95/91/351979591.db2.gz CWSQONBTUPTTSR-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000638099644 351979701 /nfs/dbraw/zinc/97/97/01/351979701.db2.gz IHNCOKFFUPMEKK-CHWSQXEVSA-N 2 0 249.358 0.634 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000638100249 351981020 /nfs/dbraw/zinc/98/10/20/351981020.db2.gz LNQBVLCPCHTVNF-CMPLNLGQSA-N 2 0 239.363 0.680 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000638121802 351995070 /nfs/dbraw/zinc/99/50/70/351995070.db2.gz HJVZTXXRUORSFD-TUAOUCFPSA-N 2 0 241.379 0.926 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000638138345 352003511 /nfs/dbraw/zinc/00/35/11/352003511.db2.gz CQZJFZZJRLHGMC-JQWIXIFHSA-N 2 0 235.331 0.387 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)NCC1=CC[NH2+]CC1 ZINC000638175930 352041960 /nfs/dbraw/zinc/04/19/60/352041960.db2.gz RRFSQVYZORZRSG-UHFFFAOYSA-N 2 0 249.314 0.696 20 0 BCADRP C[C@H]([NH3+])CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000638212290 352074599 /nfs/dbraw/zinc/07/45/99/352074599.db2.gz WWKKHTRTGKSHTJ-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000638212291 352074700 /nfs/dbraw/zinc/07/47/00/352074700.db2.gz WWKKHTRTGKSHTJ-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H](C(=O)N[C@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000638191255 352055739 /nfs/dbraw/zinc/05/57/39/352055739.db2.gz XLHNIBJWTWUHCP-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567166070 352057067 /nfs/dbraw/zinc/05/70/67/352057067.db2.gz KVELUXXMHSQIQN-SDDRHHMPSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](C(=O)N1CCC(C)([NH3+])CC1)[NH+](C)C ZINC000638195387 352058206 /nfs/dbraw/zinc/05/82/06/352058206.db2.gz HBMHAVVFIWVMBU-SECBINFHSA-N 2 0 213.325 0.276 20 0 BCADRP CC1([NH3+])CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638196289 352060332 /nfs/dbraw/zinc/06/03/32/352060332.db2.gz UDLGMBLMWKEIRE-JTQLQIEISA-N 2 0 223.320 0.374 20 0 BCADRP CC[C@H]1CN(C(=O)[C@@H](C)[NH+](C)C)CC[C@H]1[NH3+] ZINC000638201071 352062062 /nfs/dbraw/zinc/06/20/62/352062062.db2.gz ARBKMCWWZWTVSJ-OUAUKWLOSA-N 2 0 227.352 0.522 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000638199074 352062733 /nfs/dbraw/zinc/06/27/33/352062733.db2.gz GUXCDQNPTSXRPJ-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638198808 352062792 /nfs/dbraw/zinc/06/27/92/352062792.db2.gz FZBYAPZPLXUUFT-GHMZBOCLSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC000638203472 352064003 /nfs/dbraw/zinc/06/40/03/352064003.db2.gz GDIFDMNWSQRAFY-GHMZBOCLSA-N 2 0 239.363 0.537 20 0 BCADRP CC1(NC(=O)C2=CC[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC000638203834 352065226 /nfs/dbraw/zinc/06/52/26/352065226.db2.gz HVBBHNIWNWEGIB-SNVBAGLBSA-N 2 0 223.320 0.292 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000638201944 352066616 /nfs/dbraw/zinc/06/66/16/352066616.db2.gz NOLLYNXXVTXHSW-OPRDCNLKSA-N 2 0 213.325 0.099 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NC2(C)CC[NH2+]CC2)C1 ZINC000638204698 352067673 /nfs/dbraw/zinc/06/76/73/352067673.db2.gz AYVKNHZISHJMIW-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC1(C)CC[NH2+]CC1 ZINC000638206251 352067919 /nfs/dbraw/zinc/06/79/19/352067919.db2.gz KCSXCJCJDMYUHH-VIFPVBQESA-N 2 0 213.325 0.243 20 0 BCADRP C[C@H](C(=O)N1CC[NH2+][C@H](C)[C@H]1C)[NH+](C)C ZINC000638207114 352069660 /nfs/dbraw/zinc/06/96/60/352069660.db2.gz XZIQPEUJTYWJCJ-OPRDCNLKSA-N 2 0 213.325 0.145 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000638209921 352072955 /nfs/dbraw/zinc/07/29/55/352072955.db2.gz FYDZLEVQWPEQFU-SRVKXCTJSA-N 2 0 239.363 0.727 20 0 BCADRP C[N@H+](CC(=O)NC[C@H]([NH3+])C1CC1)CC(C)(C)C ZINC000638156344 352019882 /nfs/dbraw/zinc/01/98/82/352019882.db2.gz YUJGYZIQZBMZGU-NSHDSACASA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)C12CCC[NH+](CCC1)C2 ZINC000638156710 352019910 /nfs/dbraw/zinc/01/99/10/352019910.db2.gz QECOQFWTOUAMRE-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](C)C[NH2+]1 ZINC000638157042 352020611 /nfs/dbraw/zinc/02/06/11/352020611.db2.gz BAJHXNATXWPSEK-WOPDTQHZSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](C)C[NH2+]1 ZINC000638157038 352020706 /nfs/dbraw/zinc/02/07/06/352020706.db2.gz BAJHXNATXWPSEK-SRVKXCTJSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000638158394 352022346 /nfs/dbraw/zinc/02/23/46/352022346.db2.gz ZSXAVZPPJPECMH-SRVKXCTJSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638157974 352025364 /nfs/dbraw/zinc/02/53/64/352025364.db2.gz YCIGMHGQAUXNJY-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[C@H](C)C[NH2+]1 ZINC000638157856 352025487 /nfs/dbraw/zinc/02/54/87/352025487.db2.gz GFTOGTYYUCCOCE-GWOFURMSSA-N 2 0 248.330 0.722 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000638160753 352025744 /nfs/dbraw/zinc/02/57/44/352025744.db2.gz JUQSDIYFSJNMLU-SNVBAGLBSA-N 2 0 227.352 0.748 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)NCC2([NH3+])CCC2)C1 ZINC000638161265 352028995 /nfs/dbraw/zinc/02/89/95/352028995.db2.gz QGCJLSRZPZGRNI-VIFPVBQESA-N 2 0 209.293 0.032 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000638165843 352030625 /nfs/dbraw/zinc/03/06/25/352030625.db2.gz SKGLUJCOYBFLBO-UMSGYPCISA-N 2 0 249.358 0.620 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH3+])CC[N@@H+]1C ZINC000638169053 352033005 /nfs/dbraw/zinc/03/30/05/352033005.db2.gz CLWMMSPAMHRKFM-KXUCPTDWSA-N 2 0 213.325 0.180 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[N@H+](C)CC1 ZINC000638168070 352035880 /nfs/dbraw/zinc/03/58/80/352035880.db2.gz BUSXKZFWXWBTTF-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C12CCC[NH+](CCC1)C2 ZINC000638170986 352037987 /nfs/dbraw/zinc/03/79/87/352037987.db2.gz IVTOQRSWIBPKRC-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NCC1=CC[NH2+]CC1 ZINC000638175734 352041463 /nfs/dbraw/zinc/04/14/63/352041463.db2.gz LHPRRKMDRCWZAT-LBPRGKRZSA-N 2 0 239.363 0.786 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000638287575 352123900 /nfs/dbraw/zinc/12/39/00/352123900.db2.gz WHRFVPWWEVHBOU-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCC[NH+](C)C ZINC000638290444 352126318 /nfs/dbraw/zinc/12/63/18/352126318.db2.gz SVURABGOYWFHRO-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000638218017 352077414 /nfs/dbraw/zinc/07/74/14/352077414.db2.gz RWGAVJAHKVGRLR-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638215926 352078461 /nfs/dbraw/zinc/07/84/61/352078461.db2.gz DYSPKFZQGWDMAE-JQWIXIFHSA-N 2 0 237.347 0.621 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638232160 352084196 /nfs/dbraw/zinc/08/41/96/352084196.db2.gz DKOYJDWHGLAYSF-NWDGAFQWSA-N 2 0 237.347 0.764 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638234135 352085621 /nfs/dbraw/zinc/08/56/21/352085621.db2.gz XYVDXTMKPKZYRX-GIPNMCIBSA-N 2 0 239.363 0.489 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000638233756 352085627 /nfs/dbraw/zinc/08/56/27/352085627.db2.gz KANQJFHTVMNZAN-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H](C(=O)N1CCCC[C@H]1CC[NH3+])[NH+](C)C ZINC000638235161 352086474 /nfs/dbraw/zinc/08/64/74/352086474.db2.gz RJPBKKLZTRNYBA-MNOVXSKESA-N 2 0 227.352 0.666 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638235954 352086960 /nfs/dbraw/zinc/08/69/60/352086960.db2.gz SPBSVCACAGOGIE-DGCLKSJQSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638233118 352087537 /nfs/dbraw/zinc/08/75/37/352087537.db2.gz VGXLQWOZJGCNOQ-LSKIRQOJSA-N 2 0 237.347 0.537 20 0 BCADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C12CCC[NH+](CCC1)C2 ZINC000638243097 352090615 /nfs/dbraw/zinc/09/06/15/352090615.db2.gz KWLZWOAKSXIYFI-GDNZZTSVSA-N 2 0 249.358 0.196 20 0 BCADRP C[C@H](C(=O)N[C@@H](C)CCCC[NH3+])[NH+](C)C ZINC000638243223 352090940 /nfs/dbraw/zinc/09/09/40/352090940.db2.gz LRLDHXZVRDAZPU-VHSXEESVSA-N 2 0 215.341 0.570 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000638249899 352095097 /nfs/dbraw/zinc/09/50/97/352095097.db2.gz ZISODWPKQGPKRK-XQQFMLRXSA-N 2 0 249.358 0.492 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000638248952 352095489 /nfs/dbraw/zinc/09/54/89/352095489.db2.gz WGCAICKFXLAEPV-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638252725 352095814 /nfs/dbraw/zinc/09/58/14/352095814.db2.gz VLFSEKXKSLAQDV-PSASIEDQSA-N 2 0 211.309 0.278 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000638253984 352097002 /nfs/dbraw/zinc/09/70/02/352097002.db2.gz DWJBLSCTOLRTJL-YUMQZZPRSA-N 2 0 225.292 0.512 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC000638254866 352098094 /nfs/dbraw/zinc/09/80/94/352098094.db2.gz IZLVKFGUONKNCE-ZJUUUORDSA-N 2 0 229.368 0.816 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CC[N@H+](C)[C@H]1CC ZINC000638257343 352100645 /nfs/dbraw/zinc/10/06/45/352100645.db2.gz VAYHIVMNVVJODZ-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000638257187 352100793 /nfs/dbraw/zinc/10/07/93/352100793.db2.gz XDKPOQSCWYTWAU-NKWVEPMBSA-N 2 0 223.267 0.083 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C[N@H+](C)CC(C)(C)C ZINC000638257727 352101543 /nfs/dbraw/zinc/10/15/43/352101543.db2.gz VXGCRAXGBMYKMP-SNVBAGLBSA-N 2 0 229.368 0.818 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CC[NH2+]CC1(C)C)[NH+](C)C ZINC000638261115 352103799 /nfs/dbraw/zinc/10/37/99/352103799.db2.gz CIWMYRJUEBVZQU-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]([NH3+])CCC(C)C ZINC000638260250 352104247 /nfs/dbraw/zinc/10/42/47/352104247.db2.gz XJXDGNQKPACVCJ-VHSXEESVSA-N 2 0 215.341 0.603 20 0 BCADRP CN(C(=O)C1=CC[C@H]([NH3+])C1)C1(C[NH3+])CCC1 ZINC000638262559 352105155 /nfs/dbraw/zinc/10/51/55/352105155.db2.gz OMYRPOYAEPSQAN-JTQLQIEISA-N 2 0 223.320 0.374 20 0 BCADRP C[C@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)[NH+](C)C ZINC000638265060 352105533 /nfs/dbraw/zinc/10/55/33/352105533.db2.gz BECMXBUGLIESRE-RNFRBKRXSA-N 2 0 241.257 0.332 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000638263309 352105609 /nfs/dbraw/zinc/10/56/09/352105609.db2.gz WHILQMHNWWVNFL-VHSXEESVSA-N 2 0 213.325 0.372 20 0 BCADRP Cc1cncn1CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000638267441 352107004 /nfs/dbraw/zinc/10/70/04/352107004.db2.gz RLXLVBLVFONCRP-JTQLQIEISA-N 2 0 236.319 0.448 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000638269728 352107152 /nfs/dbraw/zinc/10/71/52/352107152.db2.gz UANVFZAVUKVDFL-UTLUCORTSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000638270023 352107597 /nfs/dbraw/zinc/10/75/97/352107597.db2.gz DKKFCJSVKQCYJA-JTQLQIEISA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000638271555 352109215 /nfs/dbraw/zinc/10/92/15/352109215.db2.gz XKNVRQJTPMWQSL-VIFPVBQESA-N 2 0 213.325 0.195 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[NH2+]C1(C)C)[NH+](C)C ZINC000638271127 352109557 /nfs/dbraw/zinc/10/95/57/352109557.db2.gz SMQLRHJTTNSCQR-BDAKNGLRSA-N 2 0 213.325 0.193 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000638270860 352109585 /nfs/dbraw/zinc/10/95/85/352109585.db2.gz NKZKIQVMRUMPIY-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000638277022 352113839 /nfs/dbraw/zinc/11/38/39/352113839.db2.gz WXWKKPYVVRMBMK-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000638278452 352114783 /nfs/dbraw/zinc/11/47/83/352114783.db2.gz BOKYBUZWYOBMLP-SNVBAGLBSA-N 2 0 225.336 0.291 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(CCOC)CC[NH+](C)C ZINC000638278747 352115215 /nfs/dbraw/zinc/11/52/15/352115215.db2.gz VFSFQMGLGDLCLZ-LLVKDONJSA-N 2 0 245.367 0.021 20 0 BCADRP CCN1CCC[C@H]1C[NH2+]C[C@@]1(OC)CCOC1 ZINC000638281669 352116402 /nfs/dbraw/zinc/11/64/02/352116402.db2.gz VIBSLEHUGDVHQT-STQMWFEESA-N 2 0 242.363 0.866 20 0 BCADRP CC[C@H](C(=O)N[C@H](C[NH3+])C(C)(C)C)[NH+](C)C ZINC000638333352 352151533 /nfs/dbraw/zinc/15/15/33/352151533.db2.gz QDOBTPLMWOPHAQ-NXEZZACHSA-N 2 0 229.368 0.816 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000638336921 352155326 /nfs/dbraw/zinc/15/53/26/352155326.db2.gz KPJPAGCIYCNLAS-JFGNBEQYSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@H](C[NH3+])C(C)(C)C)CC1 ZINC000638335437 352157083 /nfs/dbraw/zinc/15/70/83/352157083.db2.gz JXMRLPLBRIUJMW-SNVBAGLBSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)[NH+](C)C ZINC000638340609 352160216 /nfs/dbraw/zinc/16/02/16/352160216.db2.gz IBIIWYJSUCSDGQ-GMTAPVOTSA-N 2 0 227.352 0.380 20 0 BCADRP [NH3+]CCC1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638394264 352200075 /nfs/dbraw/zinc/20/00/75/352200075.db2.gz ZSSMSXVGZBBPLF-GFCCVEGCSA-N 2 0 237.347 0.621 20 0 BCADRP CC[C@H](C(=O)NC(C)(C)CC[NH3+])[NH+](C)C ZINC000638356223 352168823 /nfs/dbraw/zinc/16/88/23/352168823.db2.gz YLZABZNOUYADAL-SECBINFHSA-N 2 0 215.341 0.570 20 0 BCADRP CC[C@@H](C(=O)NC(C)(C)CC[NH3+])[NH+](C)C ZINC000638356224 352169192 /nfs/dbraw/zinc/16/91/92/352169192.db2.gz YLZABZNOUYADAL-VIFPVBQESA-N 2 0 215.341 0.570 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000638370730 352180902 /nfs/dbraw/zinc/18/09/02/352180902.db2.gz NCAWEVNXYPOQII-IWSPIJDZSA-N 2 0 201.314 0.226 20 0 BCADRP CC[C@H](C(=O)N[C@H](C)C[C@@H](C)[NH3+])[NH+](C)C ZINC000638369337 352182459 /nfs/dbraw/zinc/18/24/59/352182459.db2.gz GEDAZVMVLUEZME-OPRDCNLKSA-N 2 0 215.341 0.569 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638371686 352185325 /nfs/dbraw/zinc/18/53/25/352185325.db2.gz TTZLIRGPYIBTSE-QXFUBDJGSA-N 2 0 211.309 0.276 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000638375890 352186027 /nfs/dbraw/zinc/18/60/27/352186027.db2.gz JHKKRVKTKDCQAA-GFCCVEGCSA-N 2 0 241.379 0.927 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]C2CC2)C1 ZINC000638374023 352186249 /nfs/dbraw/zinc/18/62/49/352186249.db2.gz HLDBPCVCKXYWEK-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)NCCC[NH2+]C2CC2)C1 ZINC000638373769 352186516 /nfs/dbraw/zinc/18/65/16/352186516.db2.gz CCWJAWIVMDXRNJ-SNVBAGLBSA-N 2 0 223.320 0.292 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000638375062 352187370 /nfs/dbraw/zinc/18/73/70/352187370.db2.gz VMFWAJNKJVTMDI-VIFPVBQESA-N 2 0 221.304 0.499 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)C[C@H](C)[NH3+] ZINC000638386429 352194520 /nfs/dbraw/zinc/19/45/20/352194520.db2.gz QXGFGHXNYMDZCF-JTQLQIEISA-N 2 0 235.331 0.760 20 0 BCADRP C[C@H](C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+])[NH+](C)C ZINC000638389223 352196328 /nfs/dbraw/zinc/19/63/28/352196328.db2.gz MBBWBWIXSZAGKF-QJPTWQEYSA-N 2 0 241.379 0.912 20 0 BCADRP [NH3+]C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)C1CCCC1 ZINC000638326828 352146998 /nfs/dbraw/zinc/14/69/98/352146998.db2.gz QHJVYLQRVVXQQX-RYUDHWBXSA-N 2 0 237.347 0.668 20 0 BCADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H](C[NH3+])C1CC1 ZINC000638329244 352149478 /nfs/dbraw/zinc/14/94/78/352149478.db2.gz PZZXKQWAGMXWHG-NWDGAFQWSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]([NH3+])CCC(C)C ZINC000638433087 352242102 /nfs/dbraw/zinc/24/21/02/352242102.db2.gz VZPXFQYZMODCPQ-VHSXEESVSA-N 2 0 215.341 0.474 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC000638431199 352239242 /nfs/dbraw/zinc/23/92/42/352239242.db2.gz CZAROEJLXJADOO-VIFPVBQESA-N 2 0 213.325 0.052 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCCC1CC[NH2+]CC1 ZINC000638394431 352200758 /nfs/dbraw/zinc/20/07/58/352200758.db2.gz UTNMWXNKCYVCNE-JTQLQIEISA-N 2 0 227.352 0.490 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000638431835 352240237 /nfs/dbraw/zinc/24/02/37/352240237.db2.gz VHESOZWYASXIIY-MXWKQRLJSA-N 2 0 243.326 0.368 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638403110 352209908 /nfs/dbraw/zinc/20/99/08/352209908.db2.gz XTGZKXNBBDOWMV-JTQLQIEISA-N 2 0 227.352 0.666 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)Cc1c[nH]cn1 ZINC000638404002 352210450 /nfs/dbraw/zinc/21/04/50/352210450.db2.gz WZDQUMIKHCCEQG-QMMMGPOBSA-N 2 0 210.281 0.366 20 0 BCADRP C[C@H](CCNC(=O)C[C@H](C)[NH3+])[NH+](C)C ZINC000638407886 352212909 /nfs/dbraw/zinc/21/29/09/352212909.db2.gz CUCKNXBMJWFXJV-DTWKUNHWSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@@H](CCNC(=O)C1=CC[C@@H]([NH3+])C1)[NH+](C)C ZINC000638408245 352213737 /nfs/dbraw/zinc/21/37/37/352213737.db2.gz FTOXBTVIJDVNJA-GXSJLCMTSA-N 2 0 225.336 0.490 20 0 BCADRP O[C@@H](C[NH2+]CCC[C@@H]1CCO1)C[NH+]1CCCC1 ZINC000638412333 352219317 /nfs/dbraw/zinc/21/93/17/352219317.db2.gz OBZWUSBXIFTTAT-QWHCGFSZSA-N 2 0 242.363 0.602 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC1([NH3+])CCCC1 ZINC000638410888 352220231 /nfs/dbraw/zinc/22/02/31/352220231.db2.gz KQGXPRFHHVKYII-SECBINFHSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H](CO)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638414676 352224440 /nfs/dbraw/zinc/22/44/40/352224440.db2.gz AQKJTELKXGJERR-LLVKDONJSA-N 2 0 244.379 0.440 20 0 BCADRP CO[C@@H](C[NH2+]CCCC[NH+](C)C)[C@H]1CCOC1 ZINC000638451939 352262043 /nfs/dbraw/zinc/26/20/43/352262043.db2.gz RZRZILPJDBRHAL-STQMWFEESA-N 2 0 244.379 0.969 20 0 BCADRP C[N@H+](CC(=O)N[C@]1(C)CC[NH2+]C1)CC(C)(C)C ZINC000638440785 352246971 /nfs/dbraw/zinc/24/69/71/352246971.db2.gz QSFKIVQTXGMNAD-CYBMUJFWSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)CCC1C[NH2+]C1)C2 ZINC000638441392 352247503 /nfs/dbraw/zinc/24/75/03/352247503.db2.gz GRIBMFCJFKPAMA-WCQYABFASA-N 2 0 237.347 0.326 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000638440245 352249891 /nfs/dbraw/zinc/24/98/91/352249891.db2.gz NWLIBFKWLPUDFH-CMPLNLGQSA-N 2 0 225.336 0.339 20 0 BCADRP CC[N@H+](CCNC(=O)CC[NH2+]C)C1CC1 ZINC000219924650 363142564 /nfs/dbraw/zinc/14/25/64/363142564.db2.gz LSUOEFKKSGDXEE-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000638442399 352252052 /nfs/dbraw/zinc/25/20/52/352252052.db2.gz UQWFBEFGLDFGAZ-DMDPSCGWSA-N 2 0 235.331 0.374 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638497746 352317689 /nfs/dbraw/zinc/31/76/89/352317689.db2.gz HOIPHNFHCLRDRL-UWVGGRQHSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638497770 352317748 /nfs/dbraw/zinc/31/77/48/352317748.db2.gz HOIZXIDRQITVRS-RKDXNWHRSA-N 2 0 211.309 0.125 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638499280 352319338 /nfs/dbraw/zinc/31/93/38/352319338.db2.gz OJKORVMSHRGZKJ-MNOVXSKESA-N 2 0 237.347 0.529 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000638482693 352291603 /nfs/dbraw/zinc/29/16/03/352291603.db2.gz FBPLMXWVBJWUJV-NEPJUHHUSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000638485130 352295226 /nfs/dbraw/zinc/29/52/26/352295226.db2.gz XCTHOGQTDXTQCN-GHMZBOCLSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000638487629 352296458 /nfs/dbraw/zinc/29/64/58/352296458.db2.gz CEEJVKHXVDHLJP-IUCAKERBSA-N 2 0 249.305 0.425 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638489566 352300904 /nfs/dbraw/zinc/30/09/04/352300904.db2.gz OCQCAXUTXMVJJF-NWDGAFQWSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@@H](C(=O)N1CC[NH2+]C[C@@H]1C(C)C)[NH+](C)C ZINC000638491411 352302399 /nfs/dbraw/zinc/30/23/99/352302399.db2.gz IDYOOALJGJLUJD-NWDGAFQWSA-N 2 0 241.379 0.783 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)CC1([NH3+])CC1 ZINC000638491497 352302500 /nfs/dbraw/zinc/30/25/00/352302500.db2.gz GHXHDNCLKCYAIB-SNVBAGLBSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638498993 352321016 /nfs/dbraw/zinc/32/10/16/352321016.db2.gz NGTVEFIQIBOAHS-SECBINFHSA-N 2 0 225.336 0.372 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638506907 352328547 /nfs/dbraw/zinc/32/85/47/352328547.db2.gz ZWBIYDJZWNECBN-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@]1(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCC[NH2+]1 ZINC000638506889 352328964 /nfs/dbraw/zinc/32/89/64/352328964.db2.gz ZIZQHQLFLMRIST-PWSUYJOCSA-N 2 0 237.347 0.529 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638507457 352330872 /nfs/dbraw/zinc/33/08/72/352330872.db2.gz IGKBCMTZDSZNPZ-NXEZZACHSA-N 2 0 225.336 0.385 20 0 BCADRP [NH3+]CC1(CC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000638508894 352331647 /nfs/dbraw/zinc/33/16/47/352331647.db2.gz BQSSFUHZDRICLU-JTQLQIEISA-N 2 0 237.347 0.516 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000638510713 352334597 /nfs/dbraw/zinc/33/45/97/352334597.db2.gz FANPTNDVOVVSPC-GHMZBOCLSA-N 2 0 235.331 0.435 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638511056 352335503 /nfs/dbraw/zinc/33/55/03/352335503.db2.gz ZGWQFGPZKVJAEC-GUBZILKMSA-N 2 0 225.336 0.371 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638516037 352343043 /nfs/dbraw/zinc/34/30/43/352343043.db2.gz KPQVGAYROLBGIL-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000638516223 352343815 /nfs/dbraw/zinc/34/38/15/352343815.db2.gz OTIVBOMBNGCMLQ-CMPLNLGQSA-N 2 0 225.336 0.183 20 0 BCADRP CCN(CC[NH3+])C(=O)c1coc(C[NH3+])c1 ZINC000638516506 352344327 /nfs/dbraw/zinc/34/43/27/352344327.db2.gz COQPEOBOMOMIOV-UHFFFAOYSA-N 2 0 211.265 0.159 20 0 BCADRP CCN(CC[NH3+])C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000638516547 352344780 /nfs/dbraw/zinc/34/47/80/352344780.db2.gz DMEVCMIDYZAGSN-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000638516800 352345530 /nfs/dbraw/zinc/34/55/30/352345530.db2.gz IDGUJBZSFIWNTR-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000638517154 352345573 /nfs/dbraw/zinc/34/55/73/352345573.db2.gz NLDODXXWRXBLCV-NSHDSACASA-N 2 0 221.304 0.494 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000638528476 352362332 /nfs/dbraw/zinc/36/23/32/352362332.db2.gz IIQVLAGHDAFYGW-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638546106 352376630 /nfs/dbraw/zinc/37/66/30/352376630.db2.gz AUZOBNVXHUGXAI-VIFPVBQESA-N 2 0 233.315 0.772 20 0 BCADRP [NH3+]Cc1cccc2c1N(C(=O)[C@H]1CC[NH2+]1)CCC2 ZINC000638545955 352376888 /nfs/dbraw/zinc/37/68/88/352376888.db2.gz XDZNLFPDQQWSCS-GFCCVEGCSA-N 2 0 245.326 0.786 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000638572141 352400313 /nfs/dbraw/zinc/40/03/13/352400313.db2.gz IKQQVTRDPRSLDI-FIQHERPVSA-N 2 0 239.363 0.631 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000638572361 352400343 /nfs/dbraw/zinc/40/03/43/352400343.db2.gz JSZGBWBIQHCPOQ-SDDRHHMPSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1([NH3+])CCCC1 ZINC000638567016 352393731 /nfs/dbraw/zinc/39/37/31/352393731.db2.gz HDHHNIPPRYBZMH-VHSXEESVSA-N 2 0 225.336 0.515 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000638567515 352395097 /nfs/dbraw/zinc/39/50/97/352395097.db2.gz NMKKHJKKRNINAC-AXFHLTTASA-N 2 0 225.336 0.385 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1([NH3+])CCC1 ZINC000638572782 352401453 /nfs/dbraw/zinc/40/14/53/352401453.db2.gz YKRWEAWBVSVXIU-DTWKUNHWSA-N 2 0 211.309 0.125 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000638522902 352357056 /nfs/dbraw/zinc/35/70/56/352357056.db2.gz TTZSPKQLLOADLY-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C)CCOCC[NH2+]C ZINC000638592970 352423024 /nfs/dbraw/zinc/42/30/24/352423024.db2.gz XASQIVAUUCTVLX-LLVKDONJSA-N 2 0 245.367 0.069 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000353448429 187720201 /nfs/dbraw/zinc/72/02/01/187720201.db2.gz MMHVKVJEOWMQER-SRVKXCTJSA-N 2 0 241.379 0.687 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)CC2(C[NH3+])CC2)C[NH2+]1 ZINC000638641155 352483350 /nfs/dbraw/zinc/48/33/50/352483350.db2.gz BUPIHXWFBRHIDX-UWVGGRQHSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC000638642428 352484198 /nfs/dbraw/zinc/48/41/98/352484198.db2.gz JFSHLYDDPOXVAY-NQBHXWOUSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)CC[C@@H]2CC[NH2+]C2)C[NH2+]1 ZINC000638641600 352484834 /nfs/dbraw/zinc/48/48/34/352484834.db2.gz FRNWDTGULQPGGU-UTUOFQBUSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)C[C@H]2CC[NH2+]C2)C[NH2+]1 ZINC000638642811 352484905 /nfs/dbraw/zinc/48/49/05/352484905.db2.gz KBVNTOSZUAXKHF-MXWKQRLJSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C[NH2+]1 ZINC000638642255 352485660 /nfs/dbraw/zinc/48/56/60/352485660.db2.gz WCJWAFDVXHQKOK-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000638643530 352485923 /nfs/dbraw/zinc/48/59/23/352485923.db2.gz LRNSSDORJOSOEE-GMTAPVOTSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)CC[NH2+]C2CC2)C[NH2+]1 ZINC000638643199 352487841 /nfs/dbraw/zinc/48/78/41/352487841.db2.gz IMOUQWAABUIBOI-GXSJLCMTSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)CC2([NH3+])CCC2)C[NH2+]1 ZINC000638653786 352495459 /nfs/dbraw/zinc/49/54/59/352495459.db2.gz HGDLPNVULOCGAY-ZJUUUORDSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)C2([NH3+])CCCC2)C[NH2+]1 ZINC000638654214 352496739 /nfs/dbraw/zinc/49/67/39/352496739.db2.gz KRMJUIMOFGNTDM-NXEZZACHSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)C(C)(C)C[NH3+])C[NH2+]1 ZINC000638654529 352497360 /nfs/dbraw/zinc/49/73/60/352497360.db2.gz LXMFXEKRDKEPRY-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)C(C)(C)C[NH3+])C[NH2+]1 ZINC000638654530 352497419 /nfs/dbraw/zinc/49/74/19/352497419.db2.gz LXMFXEKRDKEPRY-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCCNC2)C1 ZINC000415006123 352498764 /nfs/dbraw/zinc/49/87/64/352498764.db2.gz PVOZPGIKFXOWLW-TUAOUCFPSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C[NH2+]1 ZINC000638657774 352500629 /nfs/dbraw/zinc/50/06/29/352500629.db2.gz YLYCYRHWLHVWRP-IVZWLZJFSA-N 2 0 227.352 0.617 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NCCOCCC[NH3+] ZINC000638661797 352505281 /nfs/dbraw/zinc/50/52/81/352505281.db2.gz ZPPAJKNBCBNMEZ-UHFFFAOYSA-N 2 0 245.367 0.233 20 0 BCADRP C[C@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[NH+](C)C ZINC000638731618 352594414 /nfs/dbraw/zinc/59/44/14/352594414.db2.gz GAOSRLUZMWYOJP-RTXFEEFZSA-N 2 0 239.363 0.395 20 0 BCADRP CN(C(=O)C[C@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000042165623 352614021 /nfs/dbraw/zinc/61/40/21/352614021.db2.gz KHFMNUNZINUWRK-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH+]1CCC(NC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000042166024 352614748 /nfs/dbraw/zinc/61/47/48/352614748.db2.gz ADJCOAZYYRTSHB-NSHDSACASA-N 2 0 225.336 0.339 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000300409404 352563290 /nfs/dbraw/zinc/56/32/90/352563290.db2.gz ZYHYFQYIDQNXQI-YPMHNXCESA-N 2 0 241.379 0.975 20 0 BCADRP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514474 352653628 /nfs/dbraw/zinc/65/36/28/352653628.db2.gz DYVQDQUODBKRBC-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP C[NH+]1CCC(CNC(=O)C2CC[NH2+]CC2)CC1 ZINC000044526620 352654887 /nfs/dbraw/zinc/65/48/87/352654887.db2.gz GVJDNLWUOLMMMF-UHFFFAOYSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H](C)C[NH3+] ZINC000044806160 352657379 /nfs/dbraw/zinc/65/73/79/352657379.db2.gz UCIVEVHYWBZIKI-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000044798764 352657423 /nfs/dbraw/zinc/65/74/23/352657423.db2.gz DZMIJOSCNOMNSX-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)C[N@H+](CCC1CC[NH2+]CC1)CC(N)=O ZINC000042691495 352623583 /nfs/dbraw/zinc/62/35/83/352623583.db2.gz CEVSKCWAXKXMSF-UHFFFAOYSA-N 2 0 241.379 0.819 20 0 BCADRP C[C@H](CC(=O)N[C@@H]1CC[NH2+][C@H]1C)n1ccnc1 ZINC000638764781 352703928 /nfs/dbraw/zinc/70/39/28/352703928.db2.gz HSUCUMYRXUAQOJ-OUAUKWLOSA-N 2 0 236.319 0.701 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638768426 352706049 /nfs/dbraw/zinc/70/60/49/352706049.db2.gz ZUVUZLPXZFQFSZ-AXFHLTTASA-N 2 0 241.379 0.877 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638768371 352706170 /nfs/dbraw/zinc/70/61/70/352706170.db2.gz XLGXIDXSXOYWGA-LPEHRKFASA-N 2 0 213.325 0.241 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000638768000 352708765 /nfs/dbraw/zinc/70/87/65/352708765.db2.gz PBEDYYRVCWSTAD-CYZMBNFOSA-N 2 0 247.342 0.943 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000638774268 352716328 /nfs/dbraw/zinc/71/63/28/352716328.db2.gz ZKVBGDXYWIKIRF-GXSJLCMTSA-N 2 0 225.336 0.243 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638775358 352722324 /nfs/dbraw/zinc/72/23/24/352722324.db2.gz CSCKFOTZUKMOCB-VHSXEESVSA-N 2 0 213.325 0.193 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638775593 352722331 /nfs/dbraw/zinc/72/23/31/352722331.db2.gz YBMREOBBTIAKSM-HBNTYKKESA-N 2 0 227.352 0.617 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638775592 352722431 /nfs/dbraw/zinc/72/24/31/352722431.db2.gz YBMREOBBTIAKSM-GARJFASQSA-N 2 0 227.352 0.617 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+]C1)[C@H](C)[NH3+] ZINC000638791847 352752399 /nfs/dbraw/zinc/75/23/99/352752399.db2.gz VLQJVJUSLZRQEV-AEJSXWLSSA-N 2 0 213.325 0.084 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)C2CC[NH2+]CC2)[C@H]1C ZINC000334212391 352810269 /nfs/dbraw/zinc/81/02/69/352810269.db2.gz RKZXPTDTDQBUGE-ZJUUUORDSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000334214991 352814023 /nfs/dbraw/zinc/81/40/23/352814023.db2.gz BQDURYAMBQFWAW-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC([NH+](C)C)C1 ZINC000334215110 352814397 /nfs/dbraw/zinc/81/43/97/352814397.db2.gz QMWSJTQPZNYIDK-GHMZBOCLSA-N 2 0 239.363 0.632 20 0 BCADRP CC1(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC[NH2+]CC1 ZINC000577851856 366084432 /nfs/dbraw/zinc/08/44/32/366084432.db2.gz NBWKGUSYLANIKR-ZWNOBZJWSA-N 2 0 237.347 0.244 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N(C)C1CC([NH3+])C1 ZINC000449630515 201991118 /nfs/dbraw/zinc/99/11/18/201991118.db2.gz IGPDNFPTYIWNFM-UDNWOFFPSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@@H]1CCN(C(=O)C2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000334264511 352898826 /nfs/dbraw/zinc/89/88/26/352898826.db2.gz LBBAFDSFOKDKTP-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638803096 352976074 /nfs/dbraw/zinc/97/60/74/352976074.db2.gz DXXVRDHSNLOJIY-QMMMGPOBSA-N 2 0 235.287 0.218 20 0 BCADRP CCN1C[C@@H]([NH2+][C@H](C)CCC[NH3+])CC1=O ZINC000391504828 259429998 /nfs/dbraw/zinc/42/99/98/259429998.db2.gz LEMVFTBEKBLXEK-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP CCN1C[C@@H]([NH2+][C@@H](C)CCC[NH3+])CC1=O ZINC000391504826 259430006 /nfs/dbraw/zinc/43/00/06/259430006.db2.gz LEMVFTBEKBLXEK-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000627068882 363200535 /nfs/dbraw/zinc/20/05/35/363200535.db2.gz KPXCMWJAZVGGCO-MNOVXSKESA-N 2 0 242.367 0.365 20 0 BCADRP CC(C)([NH3+])C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638840501 353017141 /nfs/dbraw/zinc/01/71/41/353017141.db2.gz CUPSEPBOYINCIV-UHFFFAOYSA-N 2 0 247.342 0.686 20 0 BCADRP [NH3+]CCC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638842524 353019178 /nfs/dbraw/zinc/01/91/78/353019178.db2.gz TYFPABFHMHIBFQ-UHFFFAOYSA-N 2 0 233.315 0.297 20 0 BCADRP C[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000627069491 363201104 /nfs/dbraw/zinc/20/11/04/363201104.db2.gz OSHCDIMMXZVOMG-HBNTYKKESA-N 2 0 240.351 0.036 20 0 BCADRP CN(C(=O)C1=CC[C@H]([NH3+])C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000638854892 353032099 /nfs/dbraw/zinc/03/20/99/353032099.db2.gz VQALDSLAJCAAIB-QWHCGFSZSA-N 2 0 249.358 0.587 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CCCCC[C@H]([NH3+])C2)C1 ZINC000638814859 352995669 /nfs/dbraw/zinc/99/56/69/352995669.db2.gz IWPQSJYGQXMOEP-NEPJUHHUSA-N 2 0 237.347 0.764 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000638816237 352997203 /nfs/dbraw/zinc/99/72/03/352997203.db2.gz MEZHBPUPGUSYHQ-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP [NH3+][C@@H](C(=O)N1CCCCC[C@@H]([NH3+])C1)C1CCC1 ZINC000638816523 352997386 /nfs/dbraw/zinc/99/73/86/352997386.db2.gz NRRXDZUJWJNEIA-VXGBXAGGSA-N 2 0 239.363 0.844 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000638819270 352999295 /nfs/dbraw/zinc/99/92/95/352999295.db2.gz IJZNDGRNFJIOBX-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@]1(C(=O)N2CCCCC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000638819332 352999601 /nfs/dbraw/zinc/99/96/01/352999601.db2.gz JVCBBJSQTLBXNU-DGCLKSJQSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638820115 353000505 /nfs/dbraw/zinc/00/05/05/353000505.db2.gz QNJGMTAXGCZBKR-ZJUUUORDSA-N 2 0 213.325 0.311 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638820417 353000552 /nfs/dbraw/zinc/00/05/52/353000552.db2.gz VLLLAVIXEMZBIG-JTQLQIEISA-N 2 0 248.330 0.838 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638820418 353000564 /nfs/dbraw/zinc/00/05/64/353000564.db2.gz VLLLAVIXEMZBIG-SNVBAGLBSA-N 2 0 248.330 0.838 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913655 353072208 /nfs/dbraw/zinc/07/22/08/353072208.db2.gz BADWNXUPZHMXMS-WYUUTHIRSA-N 2 0 237.347 0.432 20 0 BCADRP C[C@@]([NH3+])(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccccc1 ZINC000638915450 353074276 /nfs/dbraw/zinc/07/42/76/353074276.db2.gz MPIRDIIITRTGMX-OBJOEFQTSA-N 2 0 245.326 0.433 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H](C)[NH3+] ZINC000638915473 353074903 /nfs/dbraw/zinc/07/49/03/353074903.db2.gz RHAQWCYQHFEZOO-NAKRPEOUSA-N 2 0 225.336 0.179 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638910740 353075518 /nfs/dbraw/zinc/07/55/18/353075518.db2.gz URMIEYSFHMRDPD-IUCAKERBSA-N 2 0 211.309 0.077 20 0 BCADRP C[NH2+]CCC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638875948 353041491 /nfs/dbraw/zinc/04/14/91/353041491.db2.gz BBIMMYJNWQJUFQ-CYBMUJFWSA-N 2 0 249.358 0.672 20 0 BCADRP CC(C)([NH3+])C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000261585808 535197352 /nfs/dbraw/zinc/19/73/52/535197352.db2.gz QQDPZZGZQWGXLM-VIFPVBQESA-N 2 0 213.325 0.454 20 0 BCADRP CC(C)([NH3+])C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638873819 353043841 /nfs/dbraw/zinc/04/38/41/353043841.db2.gz LZZJFRWKNPIDFS-GFCCVEGCSA-N 2 0 249.358 0.800 20 0 BCADRP [NH3+][C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000638937219 353110331 /nfs/dbraw/zinc/11/03/31/353110331.db2.gz ITQCLHJYEGGNDK-AXFHLTTASA-N 2 0 223.320 0.077 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919163 353083726 /nfs/dbraw/zinc/08/37/26/353083726.db2.gz JTPKPDJSSSLLCH-UMNHJUIQSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638928487 353084379 /nfs/dbraw/zinc/08/43/79/353084379.db2.gz KHLNREBVZKQYFR-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638928488 353084505 /nfs/dbraw/zinc/08/45/05/353084505.db2.gz KHLNREBVZKQYFR-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)co1 ZINC000638924674 353085121 /nfs/dbraw/zinc/08/51/21/353085121.db2.gz CZHFQZYQXXJXKB-AOOOYVTPSA-N 2 0 235.287 0.315 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C[NH+]1CCC(C)CC1 ZINC000638930939 353092048 /nfs/dbraw/zinc/09/20/48/353092048.db2.gz ISMCOZXTWFBMMP-RYUDHWBXSA-N 2 0 239.363 0.666 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638930900 353092128 /nfs/dbraw/zinc/09/21/28/353092128.db2.gz UDZURRZOVMMYRU-SRVKXCTJSA-N 2 0 237.347 0.434 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000638931523 353092609 /nfs/dbraw/zinc/09/26/09/353092609.db2.gz PVKQKGIXOVAUFU-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000638931995 353093917 /nfs/dbraw/zinc/09/39/17/353093917.db2.gz UBIAEELIFUUUJE-LMLFDSFASA-N 2 0 225.336 0.452 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000638932951 353094831 /nfs/dbraw/zinc/09/48/31/353094831.db2.gz AUNREBMBSXRYLK-GMTAPVOTSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000638933375 353095676 /nfs/dbraw/zinc/09/56/76/353095676.db2.gz BSOZZXFQZMZNIW-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000638929045 353098669 /nfs/dbraw/zinc/09/86/69/353098669.db2.gz DRGRNWRNDRCQOO-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638935602 353099403 /nfs/dbraw/zinc/09/94/03/353099403.db2.gz OAHHKTSIXLCPQK-VHSXEESVSA-N 2 0 213.325 0.275 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638937042 353100460 /nfs/dbraw/zinc/10/04/60/353100460.db2.gz DWMHTJOZKOHLPX-NNYUYHANSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000309455091 353126621 /nfs/dbraw/zinc/12/66/21/353126621.db2.gz NLIYJORPDIISFZ-IVZWLZJFSA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](C)[NH3+] ZINC000638941784 353133743 /nfs/dbraw/zinc/13/37/43/353133743.db2.gz VKEILFCJGUAMRU-WISYIIOYSA-N 2 0 239.363 0.569 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638942464 353136235 /nfs/dbraw/zinc/13/62/35/353136235.db2.gz IBRQHOSSPYEHOX-XYPYZODXSA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638943453 353143179 /nfs/dbraw/zinc/14/31/79/353143179.db2.gz USRPEQHTFXTMNZ-MGCOHNPYSA-N 2 0 227.352 0.605 20 0 BCADRP CC(C)[N@H+](C)CCNc1cc[nH+]cc1C(N)=O ZINC000302215424 188059980 /nfs/dbraw/zinc/05/99/80/188059980.db2.gz IXOJLRDJSHGCPD-UHFFFAOYSA-N 2 0 236.319 0.933 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)C[NH2+]1 ZINC000356392452 188065011 /nfs/dbraw/zinc/06/50/11/188065011.db2.gz QLBZGAMJKGFWJE-WRWGMCAJSA-N 2 0 239.363 0.713 20 0 BCADRP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)OCC1CC1 ZINC000357083386 188065738 /nfs/dbraw/zinc/06/57/38/188065738.db2.gz PDQPTALEVUXFJT-CHWSQXEVSA-N 2 0 224.348 0.954 20 0 BCADRP CC(C)C[C@@H]1COCC[N@@H+]1CCOCC[NH3+] ZINC000357088622 188066506 /nfs/dbraw/zinc/06/65/06/188066506.db2.gz SYXJEFQKWZGFFY-GFCCVEGCSA-N 2 0 230.352 0.709 20 0 BCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C[NH+](C)C ZINC000360410605 188069054 /nfs/dbraw/zinc/06/90/54/188069054.db2.gz IWQSWUARVLPOFT-NSHDSACASA-N 2 0 227.352 0.348 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373044006 188075796 /nfs/dbraw/zinc/07/57/96/188075796.db2.gz RWVOHIQVKYIYEI-SDDRHHMPSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000377806211 188078988 /nfs/dbraw/zinc/07/89/88/188078988.db2.gz CIIHRSYCWNRMKN-ZJUUUORDSA-N 2 0 227.352 0.474 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)CC2(C[NH3+])CC2)CC1 ZINC000638950090 353154978 /nfs/dbraw/zinc/15/49/78/353154978.db2.gz KAQRFIALEFSXFC-XYPYZODXSA-N 2 0 239.363 0.749 20 0 BCADRP COc1ccccc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000040537890 188082866 /nfs/dbraw/zinc/08/28/66/188082866.db2.gz VULSSXPWZPDMLP-UHFFFAOYSA-N 2 0 249.358 0.690 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)[NH+](C)C ZINC000638951251 353156955 /nfs/dbraw/zinc/15/69/55/353156955.db2.gz SABRBTGHZVUFPZ-GMTAPVOTSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)([NH3+])CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000335360016 535203346 /nfs/dbraw/zinc/20/33/46/535203346.db2.gz QBAKDHCRDROYRY-AOOOYVTPSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000417388907 353178662 /nfs/dbraw/zinc/17/86/62/353178662.db2.gz OZXARYSCZBPPND-GMTAPVOTSA-N 2 0 247.333 0.866 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638967247 353175131 /nfs/dbraw/zinc/17/51/31/353175131.db2.gz LHOWVNZGLMEPMA-HAQNSBGRSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)[NH+](C)C ZINC000638969213 353175790 /nfs/dbraw/zinc/17/57/90/353175790.db2.gz SABRBTGHZVUFPZ-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000638969191 353175826 /nfs/dbraw/zinc/17/58/26/353175826.db2.gz RXJVPHHYLRFGBT-PRRUJLLQSA-N 2 0 237.347 0.086 20 0 BCADRP Cn1nncc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357082521 180866134 /nfs/dbraw/zinc/86/61/34/180866134.db2.gz OPDBVMBSRWOZKW-GFCCVEGCSA-N 2 0 249.362 0.637 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638971589 353178974 /nfs/dbraw/zinc/17/89/74/353178974.db2.gz ZZZLPGABYJCBIZ-DDHJBXDOSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000037612330 188113765 /nfs/dbraw/zinc/11/37/65/188113765.db2.gz DZCGLWBJXWZVEA-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP CCC1([NH+](C)C)CCN(C(=O)CC[NH3+])CC1 ZINC000638975513 353182415 /nfs/dbraw/zinc/18/24/15/353182415.db2.gz JTFOOENDXOYIOH-UHFFFAOYSA-N 2 0 227.352 0.668 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357320552 188120005 /nfs/dbraw/zinc/12/00/05/188120005.db2.gz YJUCRSIBSRLXBD-NTZNESFSSA-N 2 0 241.379 0.829 20 0 BCADRP CC(C)([NH3+])C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000052062643 188126137 /nfs/dbraw/zinc/12/61/37/188126137.db2.gz NYZQXBIJQASBEP-UHFFFAOYSA-N 2 0 239.363 0.811 20 0 BCADRP [NH3+][C@@H](C(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000032021358 188129627 /nfs/dbraw/zinc/12/96/27/188129627.db2.gz OCDKKYVAVYYFFQ-LLVKDONJSA-N 2 0 219.288 0.118 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000036984194 188151834 /nfs/dbraw/zinc/15/18/34/188151834.db2.gz ILJOFXPINIVXNQ-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@]1(C(=O)N(C)CCC[NH3+])CCC[NH2+]1 ZINC000134368977 538111860 /nfs/dbraw/zinc/11/18/60/538111860.db2.gz DJDKGGYXUAWXLM-LLVKDONJSA-N 2 0 213.325 0.326 20 0 BCADRP CC(C)[NH+](CCNC(=O)C[NH3+])C(C)C ZINC000019510162 188173099 /nfs/dbraw/zinc/17/30/99/188173099.db2.gz VQGLQAMIPMAJKP-UHFFFAOYSA-N 2 0 201.314 0.180 20 0 BCADRP CC(C)[NH+](CCNC(=O)[C@@H](C)[NH3+])C(C)C ZINC000019503796 188173163 /nfs/dbraw/zinc/17/31/63/188173163.db2.gz OEEWAQSZJRUJKY-SNVBAGLBSA-N 2 0 215.341 0.569 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000019502586 188173207 /nfs/dbraw/zinc/17/32/07/188173207.db2.gz IRBLKUBDMHSQRS-SNVBAGLBSA-N 2 0 215.341 0.428 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000121387111 324010368 /nfs/dbraw/zinc/01/03/68/324010368.db2.gz KQPFQVJKHMNPSU-MRVPVSSYSA-N 2 0 201.314 0.086 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000364599345 188176522 /nfs/dbraw/zinc/17/65/22/188176522.db2.gz KYQSRQNDJPDTDX-LMLFDSFASA-N 2 0 239.363 0.841 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NC1(C[NH3+])CCCCC1 ZINC000638996681 353239154 /nfs/dbraw/zinc/23/91/54/353239154.db2.gz OSBJYFFJRZHVBO-JTQLQIEISA-N 2 0 239.363 0.762 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NC1(C[NH3+])CCCCC1 ZINC000638996685 353239170 /nfs/dbraw/zinc/23/91/70/353239170.db2.gz OSBJYFFJRZHVBO-SNVBAGLBSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]CC1(NC(=O)C[C@@H]2CC[NH2+]C2)CCCCC1 ZINC000638996887 353242370 /nfs/dbraw/zinc/24/23/70/353242370.db2.gz OYHRLFZVFXQDOQ-NSHDSACASA-N 2 0 239.363 0.764 20 0 BCADRP [NH3+]CC1(NC(=O)[C@@H]([NH3+])CC(F)F)CCCCC1 ZINC000638996967 353242390 /nfs/dbraw/zinc/24/23/90/353242390.db2.gz SELASMYKTIBYES-QMMMGPOBSA-N 2 0 249.305 0.747 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000294929952 188213729 /nfs/dbraw/zinc/21/37/29/188213729.db2.gz DCVCSFGHKQBHGR-LLVKDONJSA-N 2 0 235.331 0.582 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCN2CCCC[C@H]2C1 ZINC000040923624 188216210 /nfs/dbraw/zinc/21/62/10/188216210.db2.gz YCMUNSWNVOABIU-JTQLQIEISA-N 2 0 225.336 0.420 20 0 BCADRP CC(=O)N1CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC000043497716 188216516 /nfs/dbraw/zinc/21/65/16/188216516.db2.gz WQDJUZKVMWIRNT-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000251543767 188220888 /nfs/dbraw/zinc/22/08/88/188220888.db2.gz YNBFXLFZBWQIIP-QWRGUYRKSA-N 2 0 237.347 0.196 20 0 BCADRP CC(C)CNC(=O)[C@H](C)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131738105 188221739 /nfs/dbraw/zinc/22/17/39/188221739.db2.gz DSUPUTNNAVTPDQ-SDDRHHMPSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000054133444 188222018 /nfs/dbraw/zinc/22/20/18/188222018.db2.gz KTFNDUQKMNAZQV-LLVKDONJSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000250067200 353267512 /nfs/dbraw/zinc/26/75/12/353267512.db2.gz NPEHFRDXZYORBE-MXWKQRLJSA-N 2 0 225.336 0.243 20 0 BCADRP CC[N@H+](C)CCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000250094973 353267526 /nfs/dbraw/zinc/26/75/26/353267526.db2.gz XQFSPHINTJASGN-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP CCN(CC)C(=O)[C@H](C)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000250042978 353267539 /nfs/dbraw/zinc/26/75/39/353267539.db2.gz VBZZLXCUWRLRQA-GRYCIOLGSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639021272 353279241 /nfs/dbraw/zinc/27/92/41/353279241.db2.gz GEVYUZODZZZQRQ-NAKRPEOUSA-N 2 0 227.352 0.746 20 0 BCADRP [NH3+]CCCCC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639020943 353279250 /nfs/dbraw/zinc/27/92/50/353279250.db2.gz GNMINORPCVQJLH-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@H](C)[NH3+] ZINC000250204589 353269753 /nfs/dbraw/zinc/26/97/53/353269753.db2.gz BUONTMXCURYTAB-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336559306 188230609 /nfs/dbraw/zinc/23/06/09/188230609.db2.gz DRJAFJLYVRGSSG-NWDGAFQWSA-N 2 0 239.363 0.395 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000639023637 353282414 /nfs/dbraw/zinc/28/24/14/353282414.db2.gz XHLDUSJLAXLNDV-OPRDCNLKSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000577858873 366087089 /nfs/dbraw/zinc/08/70/89/366087089.db2.gz AZNBIYRNKHBREZ-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639026131 353285866 /nfs/dbraw/zinc/28/58/66/353285866.db2.gz XSZIJIUNLAFHQC-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251712600 353287251 /nfs/dbraw/zinc/28/72/51/353287251.db2.gz JMJFHXRVRXOZCI-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CCC[NH2+]1 ZINC000639030154 353291991 /nfs/dbraw/zinc/29/19/91/353291991.db2.gz CKPSKFISZWQEAP-NQBHXWOUSA-N 2 0 239.363 0.905 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252843881 353311962 /nfs/dbraw/zinc/31/19/62/353311962.db2.gz DHXIAFBQSVAVHK-SDDRHHMPSA-N 2 0 239.363 0.524 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000165323037 353299917 /nfs/dbraw/zinc/29/99/17/353299917.db2.gz YUSDQYLSNVRRIO-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000165322925 353299930 /nfs/dbraw/zinc/29/99/30/353299930.db2.gz YUSDQYLSNVRRIO-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000165323067 353300034 /nfs/dbraw/zinc/30/00/34/353300034.db2.gz FSHLWTHCSNXGKC-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639031735 353300523 /nfs/dbraw/zinc/30/05/23/353300523.db2.gz VNBGLNCZOMRPIW-DCAQKATOSA-N 2 0 227.352 0.761 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000639032211 353302145 /nfs/dbraw/zinc/30/21/45/353302145.db2.gz NJXCARNKRUHXEW-IJLUTSLNSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000054341856 353333430 /nfs/dbraw/zinc/33/34/30/353333430.db2.gz JHTNXPZRPSEWIL-NSHDSACASA-N 2 0 227.352 0.381 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC1CC[NH+](C)CC1 ZINC000165390900 353337639 /nfs/dbraw/zinc/33/76/39/353337639.db2.gz LCTRCRNDIIHOPA-UWVGGRQHSA-N 2 0 227.352 0.428 20 0 BCADRP CCN(CCO)CC[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000639053628 353356047 /nfs/dbraw/zinc/35/60/47/353356047.db2.gz KOXYFRDMVCCBJU-ZJUUUORDSA-N 2 0 236.306 0.934 20 0 BCADRP [NH3+]CCCCC(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000563713867 353358335 /nfs/dbraw/zinc/35/83/35/353358335.db2.gz OTZTXGSMVJFRDI-LLVKDONJSA-N 2 0 225.336 0.468 20 0 BCADRP C([C@@H]1CCCOC1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085282301 538115983 /nfs/dbraw/zinc/11/59/83/538115983.db2.gz HDJHWINSFNOYIX-QJPTWQEYSA-N 2 0 210.321 0.564 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627077256 363219271 /nfs/dbraw/zinc/21/92/71/363219271.db2.gz YHWQRATXXWJATN-VWYCJHECSA-N 2 0 242.367 0.409 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)NCC(C)(C)[NH3+])C[NH2+]1 ZINC000627077871 363219935 /nfs/dbraw/zinc/21/99/35/363219935.db2.gz CWRCNBPNPYCFJX-IUCAKERBSA-N 2 0 228.340 0.163 20 0 BCADRP Cc1nccn1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000085283544 538116455 /nfs/dbraw/zinc/11/64/55/538116455.db2.gz OMZCAHSLJCBIRJ-RYUDHWBXSA-N 2 0 220.320 0.343 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CCC([NH3+])CC1 ZINC000627076813 363217627 /nfs/dbraw/zinc/21/76/27/363217627.db2.gz JHPLELCFLCUCLK-IDWGSYCQSA-N 2 0 240.351 0.306 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000627076973 363217648 /nfs/dbraw/zinc/21/76/48/363217648.db2.gz OBFHQJZVAUXOIL-HBNTYKKESA-N 2 0 240.351 0.163 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000627076972 363217700 /nfs/dbraw/zinc/21/77/00/363217700.db2.gz OBFHQJZVAUXOIL-AXFHLTTASA-N 2 0 240.351 0.163 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000627080673 363224152 /nfs/dbraw/zinc/22/41/52/363224152.db2.gz NRRCWFOXWYBJGO-SNVBAGLBSA-N 2 0 230.356 0.350 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N(CC)CC[NH3+] ZINC000627079774 363224222 /nfs/dbraw/zinc/22/42/22/363224222.db2.gz KMEREVWEAWYBNV-JTQLQIEISA-N 2 0 230.356 0.494 20 0 BCADRP CCN(CC[NH3+])C(=O)NCC([NH3+])(CC)CC ZINC000627080871 363225424 /nfs/dbraw/zinc/22/54/24/363225424.db2.gz NYKJYSRXMADGHN-UHFFFAOYSA-N 2 0 230.356 0.494 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627080807 363226028 /nfs/dbraw/zinc/22/60/28/363226028.db2.gz HITUKXZMXOVVKL-MNOVXSKESA-N 2 0 242.367 0.426 20 0 BCADRP CC[NH2+]CCCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000571669495 353490122 /nfs/dbraw/zinc/49/01/22/353490122.db2.gz QIERPOJUFCHUDQ-VXGBXAGGSA-N 2 0 213.369 0.964 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000627082377 363231102 /nfs/dbraw/zinc/23/11/02/363231102.db2.gz CKFUWLQWENMWJD-GARJFASQSA-N 2 0 240.351 0.163 20 0 BCADRP COCC[N@H+](C)CCCN[C@H]1C[NH+](C)C[C@@H]1C ZINC000343301769 353467145 /nfs/dbraw/zinc/46/71/45/353467145.db2.gz JFKLYYRADOPARY-STQMWFEESA-N 2 0 243.395 0.494 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000192096139 353541714 /nfs/dbraw/zinc/54/17/14/353541714.db2.gz YKMNVTKAWBMLKZ-GRYCIOLGSA-N 2 0 241.379 0.818 20 0 BCADRP COCCC[N@H+](C)CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192120234 353544430 /nfs/dbraw/zinc/54/44/30/353544430.db2.gz KSANWLZMZJMFJR-WDEREUQCSA-N 2 0 245.367 0.054 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000353464469 188417419 /nfs/dbraw/zinc/41/74/19/188417419.db2.gz XVBSOGPMTQYQJP-QWRGUYRKSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063178452 353580409 /nfs/dbraw/zinc/58/04/09/353580409.db2.gz UQJVOLQASMALMQ-LLVKDONJSA-N 2 0 227.352 0.429 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000193309873 353590919 /nfs/dbraw/zinc/59/09/19/353590919.db2.gz NKQBHHFIDNAJBQ-UWVGGRQHSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000193545519 353600300 /nfs/dbraw/zinc/60/03/00/353600300.db2.gz ALTKNOAHQHZACR-AXFHLTTASA-N 2 0 225.336 0.385 20 0 BCADRP CNC(=O)[C@@]1(C)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000230896471 353550752 /nfs/dbraw/zinc/55/07/52/353550752.db2.gz ZGDQYWWXESQSOA-ZDUSSCGKSA-N 2 0 239.363 0.444 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000627088876 363242353 /nfs/dbraw/zinc/24/23/53/363242353.db2.gz KHSGUAOCMQOVKJ-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC(CC[NH2+]C)CC1 ZINC000577868496 366093141 /nfs/dbraw/zinc/09/31/41/366093141.db2.gz ZMLIFXXHBOYNQI-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000627086547 363239779 /nfs/dbraw/zinc/23/97/79/363239779.db2.gz VJTOOPZJNBQWNQ-UKKRHICBSA-N 2 0 240.351 0.034 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000627090167 363243253 /nfs/dbraw/zinc/24/32/53/363243253.db2.gz RMFOIRZPYSAMCO-LLVKDONJSA-N 2 0 242.367 0.494 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000627090547 363243444 /nfs/dbraw/zinc/24/34/44/363243444.db2.gz WZUOTXIBQLHJRU-UKKRHICBSA-N 2 0 240.351 0.177 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627090636 363243564 /nfs/dbraw/zinc/24/35/64/363243564.db2.gz XTGDIQWWGGCJFV-MXWKQRLJSA-N 2 0 242.367 0.424 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)CC(F)(F)CN ZINC000577883107 366095833 /nfs/dbraw/zinc/09/58/33/366095833.db2.gz MIRGHHMOMOFQNW-RQJHMYQMSA-N 2 0 223.267 0.213 20 0 BCADRP CO[C@H](C[NH3+])CC(=O)Nc1ccnc(C)c1 ZINC000232122426 353690979 /nfs/dbraw/zinc/69/09/79/353690979.db2.gz HGQVUHHPLLZLSE-JTQLQIEISA-N 2 0 223.276 0.692 20 0 BCADRP CC(C)[C@@H](C(=O)NC1CC([NH+](C)C)C1)[NH+](C)C ZINC000622009262 370661318 /nfs/dbraw/zinc/66/13/18/370661318.db2.gz PEGIDMFFKRLBCY-MCIGGMRASA-N 2 0 241.379 0.781 20 0 BCADRP CC(C)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000522145163 324202063 /nfs/dbraw/zinc/20/20/63/324202063.db2.gz LYWWKGJFQAAHCL-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000627096239 363253295 /nfs/dbraw/zinc/25/32/95/363253295.db2.gz SWIFHCUXDYBTIH-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP CC[C@H](C(=O)NC1CC([NH+](C)C)C1)[NH+](C)C ZINC000622009027 370661090 /nfs/dbraw/zinc/66/10/90/370661090.db2.gz HFXRIPPENOBMPG-VQXHTEKXSA-N 2 0 227.352 0.535 20 0 BCADRP [NH3+]C/C=C\CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627093451 363249372 /nfs/dbraw/zinc/24/93/72/363249372.db2.gz KZXGIHVHSBHYKS-SYBPUXJVSA-N 2 0 238.335 0.085 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N(C)CCC[NH+](C)C ZINC000639122119 353770103 /nfs/dbraw/zinc/77/01/03/353770103.db2.gz RTUCIEGDBLGODT-JTQLQIEISA-N 2 0 230.356 0.174 20 0 BCADRP CC[N@H+](CCNC1=[NH+]CCCN1)C(C)C ZINC000066246541 353784237 /nfs/dbraw/zinc/78/42/37/353784237.db2.gz BJEICWLZVZLMRN-UHFFFAOYSA-N 2 0 212.341 0.656 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC(C)(C)[NH+](C)C ZINC000354402785 188513258 /nfs/dbraw/zinc/51/32/58/188513258.db2.gz YMHMNWQYVYCWHU-UHFFFAOYSA-N 2 0 229.368 0.783 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000233431671 353819516 /nfs/dbraw/zinc/81/95/16/353819516.db2.gz OWHBUEHDOYJJDM-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000627108357 363266951 /nfs/dbraw/zinc/26/69/51/363266951.db2.gz SVQTXNUZQZLZCP-DTWKUNHWSA-N 2 0 216.329 0.102 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000343468943 353899230 /nfs/dbraw/zinc/89/92/30/353899230.db2.gz ARPCBPJVNQLKCZ-VWYCJHECSA-N 2 0 227.352 0.489 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)C1 ZINC000334551534 353991697 /nfs/dbraw/zinc/99/16/97/353991697.db2.gz JUQWGBUQDSYSOF-CHWSQXEVSA-N 2 0 247.342 0.815 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000343646150 353952786 /nfs/dbraw/zinc/95/27/86/353952786.db2.gz SCIUVDGHASBNMD-LMLFDSFASA-N 2 0 225.336 0.452 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000343650289 353953467 /nfs/dbraw/zinc/95/34/67/353953467.db2.gz XDYMHCZMZWMJNE-VWYCJHECSA-N 2 0 237.347 0.324 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)N(CC)CC[NH3+])C1 ZINC000627117711 363283987 /nfs/dbraw/zinc/28/39/87/363283987.db2.gz WBBQXBIHIXZCBB-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP CO[C@H](C[N@H+](C)CCC[NH+](C)C)[C@@H]1CCOC1 ZINC000639167740 354039861 /nfs/dbraw/zinc/03/98/61/354039861.db2.gz KQQZVOFRDRXVPE-CHWSQXEVSA-N 2 0 244.379 0.921 20 0 BCADRP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000343844064 354020238 /nfs/dbraw/zinc/02/02/38/354020238.db2.gz DHPSJLFNNWMIQB-LBPRGKRZSA-N 2 0 239.363 0.635 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627120407 363287493 /nfs/dbraw/zinc/28/74/93/363287493.db2.gz QEWQPUKPYWJCFU-VHSXEESVSA-N 2 0 240.351 0.178 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627120405 363287510 /nfs/dbraw/zinc/28/75/10/363287510.db2.gz QEWQPUKPYWJCFU-NXEZZACHSA-N 2 0 240.351 0.178 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627120406 363288105 /nfs/dbraw/zinc/28/81/05/363288105.db2.gz QEWQPUKPYWJCFU-UWVGGRQHSA-N 2 0 240.351 0.178 20 0 BCADRP CC[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344023181 354084583 /nfs/dbraw/zinc/08/45/83/354084583.db2.gz HRSOEQDLWUHJJT-UHFFFAOYSA-N 2 0 201.358 0.822 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627127089 363296314 /nfs/dbraw/zinc/29/63/14/363296314.db2.gz SAUAAQFORFNERH-JTQLQIEISA-N 2 0 240.351 0.261 20 0 BCADRP Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)CC2 ZINC000344052978 354123916 /nfs/dbraw/zinc/12/39/16/354123916.db2.gz DUNOHPVDPSJLHF-WCQGTBRESA-N 2 0 249.362 0.441 20 0 BCADRP CN(C(=O)C[C@H]1CCC[NH2+]1)C1(C[NH3+])CCC1 ZINC000449673094 202001251 /nfs/dbraw/zinc/00/12/51/202001251.db2.gz YQMNDXSAQHEBGQ-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP CC(C)[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000344147601 354154633 /nfs/dbraw/zinc/15/46/33/354154633.db2.gz SVTTXAIIGMZBLZ-UHFFFAOYSA-N 2 0 243.395 0.375 20 0 BCADRP O=C([C@H]1CCC[NH2+]C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449725434 202009705 /nfs/dbraw/zinc/00/97/05/202009705.db2.gz INPSSYIHZSVWOI-SDDRHHMPSA-N 2 0 237.347 0.196 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449734022 202010154 /nfs/dbraw/zinc/01/01/54/202010154.db2.gz LIIJDAKBMRQYJI-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449734387 202011237 /nfs/dbraw/zinc/01/12/37/202011237.db2.gz MYWHLJGAPAHWGR-SDDRHHMPSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1coc(C[NH3+])c1 ZINC000334581917 354200516 /nfs/dbraw/zinc/20/05/16/354200516.db2.gz JCHUSTWWPMPNQB-KWQFWETISA-N 2 0 237.303 0.609 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449745146 202017605 /nfs/dbraw/zinc/01/76/05/202017605.db2.gz BBWLQZMBZUMXBI-VWYCJHECSA-N 2 0 239.363 0.761 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CCC1(F)F ZINC000334583860 354205529 /nfs/dbraw/zinc/20/55/29/354205529.db2.gz SOEMOJRDHJFJNP-BDAKNGLRSA-N 2 0 247.289 0.242 20 0 BCADRP FC1(F)CNCC[C@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000334614744 354300174 /nfs/dbraw/zinc/30/01/74/354300174.db2.gz DRBVYCBUOKVIMB-QWRGUYRKSA-N 2 0 247.333 0.963 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178855919 366171970 /nfs/dbraw/zinc/17/19/70/366171970.db2.gz RHUOPVYFGGCSNK-FOGDFJRCSA-N 2 0 241.379 0.946 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449750227 202019524 /nfs/dbraw/zinc/01/95/24/202019524.db2.gz IBQJKFUFVUEMEG-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000334659858 354456865 /nfs/dbraw/zinc/45/68/65/354456865.db2.gz HEVHZMLYXDWWMA-MNOVXSKESA-N 2 0 225.336 0.147 20 0 BCADRP CC(C)N1CCC[C@H]([N@@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000334802076 354557546 /nfs/dbraw/zinc/55/75/46/354557546.db2.gz XADLOOZFSZESLK-RYUDHWBXSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)C1CC1 ZINC000345690768 354733147 /nfs/dbraw/zinc/73/31/47/354733147.db2.gz KXXBQJZZBMZNCM-IUCAKERBSA-N 2 0 249.305 0.425 20 0 BCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](C)[NH3+] ZINC000166026431 354811663 /nfs/dbraw/zinc/81/16/63/354811663.db2.gz XZJXJPHWHVAZMN-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NCCC[NH3+] ZINC000232808943 363384253 /nfs/dbraw/zinc/38/42/53/363384253.db2.gz LLBWJDPRZPSWBY-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)NCCC[NH3+] ZINC000232932123 363389524 /nfs/dbraw/zinc/38/95/24/363389524.db2.gz LLBWJDPRZPSWBY-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C[C@H](C)O ZINC000398644111 363393310 /nfs/dbraw/zinc/39/33/10/363393310.db2.gz WANSXFPBASAWFQ-FRRDWIJNSA-N 2 0 244.379 0.440 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627157094 363397319 /nfs/dbraw/zinc/39/73/19/363397319.db2.gz NWAVTLQNIWFLIE-UKKRHICBSA-N 2 0 240.351 0.177 20 0 BCADRP Cc1ccc(CCC[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cn1 ZINC000345999679 354836253 /nfs/dbraw/zinc/83/62/53/354836253.db2.gz WQNUBHKZXZWDRG-ZIAGYGMSSA-N 2 0 249.358 0.493 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000449747991 202021114 /nfs/dbraw/zinc/02/11/14/202021114.db2.gz AFCRBKREIXDHBL-MNOVXSKESA-N 2 0 239.363 0.775 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CCSC ZINC000234785169 363430301 /nfs/dbraw/zinc/43/03/01/363430301.db2.gz QUJJIUNUKJHWER-VIFPVBQESA-N 2 0 206.355 0.693 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[C@@H]1C ZINC000234789829 363431746 /nfs/dbraw/zinc/43/17/46/363431746.db2.gz CJMDHXLFHAMDKX-DCAQKATOSA-N 2 0 200.326 0.986 20 0 BCADRP COCC[NH+](C)CC(C)C[N@@H+](C)CCOC ZINC000346433002 354932595 /nfs/dbraw/zinc/93/25/95/354932595.db2.gz GJFFKMHWUZMDLJ-UHFFFAOYSA-N 2 0 232.368 0.779 20 0 BCADRP C[C@H]([NH2+]CC12CC(C1)CO2)[C@@H]1CC[NH2+]C1 ZINC000530217805 324535084 /nfs/dbraw/zinc/53/50/84/324535084.db2.gz CLIFNEDPWBIRPK-UZEXVOJHSA-N 2 0 210.321 0.753 20 0 BCADRP CC(C)(C[NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000236612281 491072722 /nfs/dbraw/zinc/07/27/22/491072722.db2.gz RIWUOUOMUCFXCK-SECBINFHSA-N 2 0 213.325 0.087 20 0 BCADRP CN(CCC[NH3+])C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659291943 491072735 /nfs/dbraw/zinc/07/27/35/491072735.db2.gz VLLMPLQEXITWEQ-UHFFFAOYSA-N 2 0 225.336 0.455 20 0 BCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000335972452 134030180 /nfs/dbraw/zinc/03/01/80/134030180.db2.gz VZDWPMXZDWSPMO-LBPRGKRZSA-N 2 0 237.347 0.387 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)c1ccc2c[nH+]cn2c1 ZINC000335222563 355063538 /nfs/dbraw/zinc/06/35/38/355063538.db2.gz ZOZQMHLMIPZPOV-NSHDSACASA-N 2 0 244.298 0.816 20 0 BCADRP c1ncn([C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000346825721 355126608 /nfs/dbraw/zinc/12/66/08/355126608.db2.gz LKDQNMDYZUSJGR-CHWSQXEVSA-N 2 0 249.362 0.915 20 0 BCADRP C[NH+](C)C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CCO1 ZINC000346844094 355134301 /nfs/dbraw/zinc/13/43/01/355134301.db2.gz YTCCNBGUPKFKQZ-QWHCGFSZSA-N 2 0 241.379 0.248 20 0 BCADRP CC[C@@H]1CN(CC(C)(C)[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000346844848 355135576 /nfs/dbraw/zinc/13/55/76/355135576.db2.gz LWQDZXSZQVDQOW-VXGBXAGGSA-N 2 0 243.395 0.501 20 0 BCADRP CC1(C)CN(C(=O)NC[C@@H]([NH3+])C2CC2)CC[NH2+]1 ZINC000335240771 355152510 /nfs/dbraw/zinc/15/25/10/355152510.db2.gz PDKUCIJAIGMFJF-SNVBAGLBSA-N 2 0 240.351 0.117 20 0 BCADRP CCCCC[N@@H+](CC(N)=O)CC1CC[NH2+]CC1 ZINC000346970940 355207459 /nfs/dbraw/zinc/20/74/59/355207459.db2.gz GNYDQKXKRUWBSZ-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000346989448 355189647 /nfs/dbraw/zinc/18/96/47/355189647.db2.gz RLALOXKMEVKCAC-OLZOCXBDSA-N 2 0 225.380 0.870 20 0 BCADRP NC(=O)C[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000347002295 355200661 /nfs/dbraw/zinc/20/06/61/355200661.db2.gz ITEJVSYYUJIXGT-RYUDHWBXSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@H]1CN(Cc2cnc(N(C)C)nc2)CC[C@H]1[NH3+] ZINC000347003704 355200785 /nfs/dbraw/zinc/20/07/85/355200785.db2.gz LRDPTQROINLHLB-CMPLNLGQSA-N 2 0 249.362 0.712 20 0 BCADRP CC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513507 355250216 /nfs/dbraw/zinc/25/02/16/355250216.db2.gz UDNHERKTVFTECZ-MNOVXSKESA-N 2 0 200.326 0.641 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000335288092 355258226 /nfs/dbraw/zinc/25/82/26/355258226.db2.gz LAGCQBROKFVYKJ-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP O[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000623748934 355297278 /nfs/dbraw/zinc/29/72/78/355297278.db2.gz OJWXEDZOSYKUIN-NDBYEHHHSA-N 2 0 224.348 0.974 20 0 BCADRP Cn1ncnc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000639256848 355301188 /nfs/dbraw/zinc/30/11/88/355301188.db2.gz GJGIBTWPYDUJRR-NSHDSACASA-N 2 0 237.351 0.637 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000608376349 355388514 /nfs/dbraw/zinc/38/85/14/355388514.db2.gz RWQXSPLGVTXVJW-LLVKDONJSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)(C)[NH2+]CCN1CCO[C@H](C[NH3+])C1 ZINC000414719173 191556329 /nfs/dbraw/zinc/55/63/29/191556329.db2.gz XNDXEFIXMRAOTO-SNVBAGLBSA-N 2 0 215.341 0.034 20 0 BCADRP COc1ccccc1[C@H]1C[NH2+]CCN1CCC[NH3+] ZINC000414734828 191556732 /nfs/dbraw/zinc/55/67/32/191556732.db2.gz LGFPDYZLFUXZBI-CYBMUJFWSA-N 2 0 249.358 0.990 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000414783120 191567877 /nfs/dbraw/zinc/56/78/77/191567877.db2.gz GIBRKGLPEMEOLR-WOPDTQHZSA-N 2 0 211.353 0.654 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H](C)CC[NH3+])[NH+](C)C ZINC000349950912 355534636 /nfs/dbraw/zinc/53/46/36/355534636.db2.gz KQGABVQDCRJQBE-NXEZZACHSA-N 2 0 215.341 0.426 20 0 BCADRP [NH2+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC1CC1 ZINC000051691815 181198757 /nfs/dbraw/zinc/19/87/57/181198757.db2.gz ISSQLCRQXWRQSA-VIFPVBQESA-N 2 0 222.336 0.747 20 0 BCADRP CC[C@@H](C(=O)N[C@H](C)CC[NH3+])[NH+](CC)CC ZINC000349967550 355546756 /nfs/dbraw/zinc/54/67/56/355546756.db2.gz UGJKGCJQWUQUDY-MNOVXSKESA-N 2 0 229.368 0.960 20 0 BCADRP [NH2+]=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC1CC1 ZINC000112332701 181198872 /nfs/dbraw/zinc/19/88/72/181198872.db2.gz HVBDGFPKGVLCJU-WDEREUQCSA-N 2 0 238.335 0.126 20 0 BCADRP CC[C@H](C(=O)N[C@H](C)CC[NH3+])[NH+](CC)CC ZINC000349967549 355547007 /nfs/dbraw/zinc/54/70/07/355547007.db2.gz UGJKGCJQWUQUDY-GHMZBOCLSA-N 2 0 229.368 0.960 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH3+])C[C@H]1C ZINC000335840528 355584103 /nfs/dbraw/zinc/58/41/03/355584103.db2.gz NOUYRNHHXIAQIU-ZJUUUORDSA-N 2 0 213.325 0.276 20 0 BCADRP CCN(C)C(=O)[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000415109606 191680626 /nfs/dbraw/zinc/68/06/26/191680626.db2.gz RNVJMXGPTOULQD-UNXYVOJBSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000349984341 355569953 /nfs/dbraw/zinc/56/99/53/355569953.db2.gz DCOUWQNABKRDJC-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC000350021033 355576973 /nfs/dbraw/zinc/57/69/73/355576973.db2.gz WTBYTXGCVLTZJY-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000582181803 355646115 /nfs/dbraw/zinc/64/61/15/355646115.db2.gz RUJZUEHGOKSNAP-XQQFMLRXSA-N 2 0 241.379 0.472 20 0 BCADRP CC(C)(O)C[NH+]1CCC([NH2+]C/C=C/CO)CC1 ZINC000639308033 355663027 /nfs/dbraw/zinc/66/30/27/355663027.db2.gz KDDLBMLDNMGXBP-ONEGZZNKSA-N 2 0 242.363 0.360 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)c2ccc(C[NH3+])o2)[C@H]1C ZINC000335894488 355688420 /nfs/dbraw/zinc/68/84/20/355688420.db2.gz JORDCQOUHKRTRC-BDAKNGLRSA-N 2 0 237.303 0.561 20 0 BCADRP C[NH2+]CCNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000417131087 191780172 /nfs/dbraw/zinc/78/01/72/191780172.db2.gz CPBRVTTVCSUYRH-NSHDSACASA-N 2 0 242.367 0.237 20 0 BCADRP CC[NH+](CC)CCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000416798344 191760298 /nfs/dbraw/zinc/76/02/98/191760298.db2.gz OHXVHJSOBUUJJG-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000639312800 355684421 /nfs/dbraw/zinc/68/44/21/355684421.db2.gz MYCMGKHWAFQSIY-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH+](CC)[C@@H](C)CNC(=O)NCC[NH+](C)C ZINC000350732703 355752768 /nfs/dbraw/zinc/75/27/68/355752768.db2.gz RPMBPWIRYFNMFP-NSHDSACASA-N 2 0 244.383 0.578 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000417321587 191792833 /nfs/dbraw/zinc/79/28/33/191792833.db2.gz TVHPHQMIPGKEJX-MNOVXSKESA-N 2 0 244.383 0.753 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@H](C)CC[NH+](C)C ZINC000417318292 191792904 /nfs/dbraw/zinc/79/29/04/191792904.db2.gz LKBPAPSLHFFKII-GHMZBOCLSA-N 2 0 244.383 0.624 20 0 BCADRP C[NH+]1CCC(CCNC(=O)NCCC[NH3+])CC1 ZINC000417498097 191871207 /nfs/dbraw/zinc/87/12/07/191871207.db2.gz FEZGMLDAGCNDIF-UHFFFAOYSA-N 2 0 242.367 0.366 20 0 BCADRP NC(=O)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000043493496 181216016 /nfs/dbraw/zinc/21/60/16/181216016.db2.gz ZQJQDOUXUFMOJC-SNVBAGLBSA-N 2 0 225.336 0.183 20 0 BCADRP COC[C@H](C)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000389249296 355935686 /nfs/dbraw/zinc/93/56/86/355935686.db2.gz BWHBJEDPUXKZEM-MNOVXSKESA-N 2 0 200.326 0.940 20 0 BCADRP COC[C@@H](C)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000389249309 355935741 /nfs/dbraw/zinc/93/57/41/355935741.db2.gz BWHBJEDPUXKZEM-WDEREUQCSA-N 2 0 200.326 0.940 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH2+]1)C(C)C ZINC000167201958 355980600 /nfs/dbraw/zinc/98/06/00/355980600.db2.gz GXBULPJSYAQPBV-NSHDSACASA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000417827229 191931542 /nfs/dbraw/zinc/93/15/42/191931542.db2.gz CZZLKDNYAFGNIZ-GRYCIOLGSA-N 2 0 239.363 0.572 20 0 BCADRP CCn1c(C)nnc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351480231 355996463 /nfs/dbraw/zinc/99/64/63/355996463.db2.gz UVXFOPNEAGBZSP-SRVKXCTJSA-N 2 0 249.362 0.776 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCC[NH3+])C1 ZINC000417853828 191935705 /nfs/dbraw/zinc/93/57/05/191935705.db2.gz PNYJYRKKZCGUSG-ZJUUUORDSA-N 2 0 228.340 0.117 20 0 BCADRP C[NH2+]CCNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000417861157 191935770 /nfs/dbraw/zinc/93/57/70/191935770.db2.gz XIBKDLDISVSADW-SNVBAGLBSA-N 2 0 244.383 0.481 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000336059649 134067526 /nfs/dbraw/zinc/06/75/26/134067526.db2.gz XAPFYMJUNYQTOA-CYBMUJFWSA-N 2 0 245.326 0.853 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000418005062 191951597 /nfs/dbraw/zinc/95/15/97/191951597.db2.gz OYYAFTFSVZBKEY-GARJFASQSA-N 2 0 242.367 0.506 20 0 BCADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000617551740 356107760 /nfs/dbraw/zinc/10/77/60/356107760.db2.gz YHDRZQGIYSGOQP-NWDGAFQWSA-N 2 0 239.363 0.491 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NC1(C)CC[NH2+]CC1 ZINC000335911604 356125304 /nfs/dbraw/zinc/12/53/04/356125304.db2.gz RCHTZGMKGKYSHY-GHMZBOCLSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1(C)CC[NH2+]CC1 ZINC000335911606 356125568 /nfs/dbraw/zinc/12/55/68/356125568.db2.gz RCHTZGMKGKYSHY-QWRGUYRKSA-N 2 0 239.363 0.633 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351745965 356078871 /nfs/dbraw/zinc/07/88/71/356078871.db2.gz DESLHMPHWOMHPE-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351745962 356079289 /nfs/dbraw/zinc/07/92/89/356079289.db2.gz DESLHMPHWOMHPE-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@H]1C[NH2+]CCN1Cc1nc(C(C)(C)[NH3+])no1 ZINC000584351581 356081431 /nfs/dbraw/zinc/08/14/31/356081431.db2.gz RVKXJTAJSGOOPI-QMMMGPOBSA-N 2 0 239.323 0.057 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351771641 356082936 /nfs/dbraw/zinc/08/29/36/356082936.db2.gz VTKWCRZHPKLIGK-AXFHLTTASA-N 2 0 227.352 0.700 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000584352295 356092490 /nfs/dbraw/zinc/09/24/90/356092490.db2.gz LAGKJCJKYFVSGU-WZRBSPASSA-N 2 0 249.358 0.798 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CC[NH2+]C1 ZINC000236852583 363458573 /nfs/dbraw/zinc/45/85/73/363458573.db2.gz CLDUSONVABYKLN-UWVGGRQHSA-N 2 0 213.325 0.230 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CC[NH2+]C1 ZINC000236840700 363459266 /nfs/dbraw/zinc/45/92/66/363459266.db2.gz CLDUSONVABYKLN-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)C[NH+](C)C ZINC000168683123 535295938 /nfs/dbraw/zinc/29/59/38/535295938.db2.gz KWZBKIHDYOCKOL-NSHDSACASA-N 2 0 215.341 0.428 20 0 BCADRP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351864948 356101081 /nfs/dbraw/zinc/10/10/81/356101081.db2.gz ZYPVSAMYOADBNI-SDDRHHMPSA-N 2 0 241.379 0.911 20 0 BCADRP [NH3+]C1(CNC(=O)N[C@H]2CC[NH2+]C2)CCCCC1 ZINC000418299643 192020696 /nfs/dbraw/zinc/02/06/96/192020696.db2.gz TYDNBDRUKWGZBQ-JTQLQIEISA-N 2 0 240.351 0.309 20 0 BCADRP C[NH2+]CCCNC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000418306610 192021286 /nfs/dbraw/zinc/02/12/86/192021286.db2.gz KOMGZUURSWXACM-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP CCCN(C(=O)NCCC[NH2+]C)[C@@H]1CC[NH2+]C1 ZINC000418305627 192021502 /nfs/dbraw/zinc/02/15/02/192021502.db2.gz IDFKJCFOXDPLMF-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP C[NH2+]CCCNC(=O)NCC1([NH3+])CCCCC1 ZINC000418310299 192021874 /nfs/dbraw/zinc/02/18/74/192021874.db2.gz OZZQFRWNEKMQPX-UHFFFAOYSA-N 2 0 242.367 0.557 20 0 BCADRP CC(C)[NH+](CCN(C)C(=O)NCC[NH3+])C(C)C ZINC000418311191 192021898 /nfs/dbraw/zinc/02/18/98/192021898.db2.gz ZZZHKXYOHHFECU-UHFFFAOYSA-N 2 0 244.383 0.705 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NC1CC[NH2+]CC1 ZINC000418312271 192021970 /nfs/dbraw/zinc/02/19/70/192021970.db2.gz SQBNATCABADTLT-NSHDSACASA-N 2 0 242.367 0.555 20 0 BCADRP CC[NH2+]CCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418313071 192022148 /nfs/dbraw/zinc/02/21/48/192022148.db2.gz AZIFVEUJIUPISX-LLVKDONJSA-N 2 0 242.367 0.285 20 0 BCADRP CC[NH2+]CCNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000418313537 192023202 /nfs/dbraw/zinc/02/32/02/192023202.db2.gz CFDMPTQDORQJNH-MNOVXSKESA-N 2 0 242.367 0.365 20 0 BCADRP CC(C)(C[NH+]1CCCC1)NC(=O)NCCC[NH3+] ZINC000418314571 192023221 /nfs/dbraw/zinc/02/32/21/192023221.db2.gz SEOQBMHZHQOOJD-UHFFFAOYSA-N 2 0 242.367 0.509 20 0 BCADRP CC[C@@H](C)[NH+]1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418317056 192023579 /nfs/dbraw/zinc/02/35/79/192023579.db2.gz XXYSBSKKJIVFNJ-LLVKDONJSA-N 2 0 242.367 0.461 20 0 BCADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCC[NH3+] ZINC000418291516 192016781 /nfs/dbraw/zinc/01/67/81/192016781.db2.gz AAOKAJZMCPHPAX-SNVBAGLBSA-N 2 0 228.340 0.071 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCCC[NH2+]C1CC1 ZINC000418291131 192016864 /nfs/dbraw/zinc/01/68/64/192016864.db2.gz UYPRTOQQWQIAHS-VIFPVBQESA-N 2 0 228.340 0.165 20 0 BCADRP O=C(NCCC[NH2+]C1CC1)N[C@@H]1CCC[NH2+]C1 ZINC000418292972 192017481 /nfs/dbraw/zinc/01/74/81/192017481.db2.gz ZCQJBCBXLPBOHK-LLVKDONJSA-N 2 0 240.351 0.180 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000331922746 356204910 /nfs/dbraw/zinc/20/49/10/356204910.db2.gz VJWSLMOMPGDWJS-NSHDSACASA-N 2 0 242.367 0.318 20 0 BCADRP C[C@H]1CN(CC[N@H+](C)C2CC[NH2+]CC2)CCO1 ZINC000420267871 192193157 /nfs/dbraw/zinc/19/31/57/192193157.db2.gz GEISSXQTULAXCV-LBPRGKRZSA-N 2 0 241.379 0.391 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000336118320 134089468 /nfs/dbraw/zinc/08/94/68/134089468.db2.gz RPNFYULUGUWAGR-GHMZBOCLSA-N 2 0 225.336 0.326 20 0 BCADRP CC1(C)CO[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000639456087 356241050 /nfs/dbraw/zinc/24/10/50/356241050.db2.gz AGDOWRLCKANYPC-GRYCIOLGSA-N 2 0 224.348 0.953 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000420297962 192204694 /nfs/dbraw/zinc/20/46/94/192204694.db2.gz ZGXVKPYQMJDBKA-VHSXEESVSA-N 2 0 214.309 0.609 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000420299671 192207449 /nfs/dbraw/zinc/20/74/49/192207449.db2.gz BGFVJVVUQSUFBK-SDDRHHMPSA-N 2 0 240.347 0.997 20 0 BCADRP CC1(C)CN(C(=O)N[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000333742106 356304423 /nfs/dbraw/zinc/30/44/23/356304423.db2.gz XSKKZBZWLHNBBE-JTQLQIEISA-N 2 0 240.351 0.132 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[C@H](C)[NH+](C)C ZINC000617751762 356310952 /nfs/dbraw/zinc/31/09/52/356310952.db2.gz CGUYRWAGFRYXND-NSHDSACASA-N 2 0 229.368 0.785 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000617752370 356311528 /nfs/dbraw/zinc/31/15/28/356311528.db2.gz MVTNLYLTGSLJDX-GHMZBOCLSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000617752993 356312323 /nfs/dbraw/zinc/31/23/23/356312323.db2.gz YOSZMPKBFUIBNS-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000617752991 356312412 /nfs/dbraw/zinc/31/24/12/356312412.db2.gz YOSZMPKBFUIBNS-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP CC[C@H](C(=O)NCC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000617755118 356313955 /nfs/dbraw/zinc/31/39/55/356313955.db2.gz IFIGXACUMZBHMT-WDEREUQCSA-N 2 0 229.368 0.783 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420294129 192202633 /nfs/dbraw/zinc/20/26/33/192202633.db2.gz SLIWOBNOTXABAX-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP CCOC(=O)CC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420291930 192202801 /nfs/dbraw/zinc/20/28/01/192202801.db2.gz OPFFSRDJMUQDAM-MNOVXSKESA-N 2 0 228.336 0.999 20 0 BCADRP NC[C@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420293234 192203091 /nfs/dbraw/zinc/20/30/91/192203091.db2.gz MVNDYNRSTGLXBZ-VXGBXAGGSA-N 2 0 211.353 0.799 20 0 BCADRP COC(=O)CC1(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000420318421 192214971 /nfs/dbraw/zinc/21/49/71/192214971.db2.gz OALOFQIJEYQSDE-WDEREUQCSA-N 2 0 240.347 0.999 20 0 BCADRP CC[NH+](CC)CCCN(C)CC[NH2+]C ZINC000420333349 192215110 /nfs/dbraw/zinc/21/51/10/192215110.db2.gz DFPVKLVMNGAATP-UHFFFAOYSA-N 2 0 201.358 0.870 20 0 BCADRP CCOC(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345097 192216423 /nfs/dbraw/zinc/21/64/23/192216423.db2.gz VFOQUKWOILBPGC-TXEJJXNPSA-N 2 0 240.347 0.871 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338210 192216560 /nfs/dbraw/zinc/21/65/60/192216560.db2.gz XNGFBNQYWAVMRA-SDDRHHMPSA-N 2 0 239.363 0.572 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000336425952 356368191 /nfs/dbraw/zinc/36/81/91/356368191.db2.gz TXVQAFLZSRKDAR-MNOVXSKESA-N 2 0 239.363 0.633 20 0 BCADRP CN(CC[N@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000420350513 192218366 /nfs/dbraw/zinc/21/83/66/192218366.db2.gz HECANKAQYUXGDP-CYBMUJFWSA-N 2 0 237.347 0.374 20 0 BCADRP CCOC(=O)[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000420353692 192218482 /nfs/dbraw/zinc/21/84/82/192218482.db2.gz BXBCEOHNKCRNGS-NSHDSACASA-N 2 0 244.335 0.237 20 0 BCADRP NC(=O)[C@@H]1CCCC[N@@H+]1CCCn1ccnc1 ZINC000182671985 181267741 /nfs/dbraw/zinc/26/77/41/181267741.db2.gz RHUNWIFDVSWFAU-NSHDSACASA-N 2 0 236.319 0.613 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420309691 192210664 /nfs/dbraw/zinc/21/06/64/192210664.db2.gz FBOOAVCIVIXEDD-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]Cc2nccs2)CC1 ZINC000390403465 356361722 /nfs/dbraw/zinc/36/17/22/356361722.db2.gz ASHJLUSNZHLEBG-UHFFFAOYSA-N 2 0 241.360 0.689 20 0 BCADRP CCCCCNC(=O)CN1C[C@H](C[NH3+])C[C@H]1C ZINC000420308624 192211429 /nfs/dbraw/zinc/21/14/29/192211429.db2.gz DAQHXNWZTIYRLR-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP CCN(C)C(=O)CC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420371524 192227804 /nfs/dbraw/zinc/22/78/04/192227804.db2.gz XBDGTQAHQIDMPC-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP C(CN(C1CC1)[C@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000420322645 192227849 /nfs/dbraw/zinc/22/78/49/192227849.db2.gz STARAMANOPKDKD-YPMHNXCESA-N 2 0 223.364 0.812 20 0 BCADRP CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329522 192228995 /nfs/dbraw/zinc/22/89/95/192228995.db2.gz OMOGCSYQJDKUAY-VXGBXAGGSA-N 2 0 239.363 0.444 20 0 BCADRP CCN(C)C(=O)CC[N@H+](C)C1CC([NH3+])C1 ZINC000420328929 192229172 /nfs/dbraw/zinc/22/91/72/192229172.db2.gz IJBQTTWCRLNQJY-UHFFFAOYSA-N 2 0 213.325 0.276 20 0 BCADRP C[NH2+]CCC[N@H+](C)CCC(=O)OC(C)C ZINC000420388779 192234587 /nfs/dbraw/zinc/23/45/87/192234587.db2.gz MSRIIIHUIWSGLO-UHFFFAOYSA-N 2 0 216.325 0.869 20 0 BCADRP C[NH2+]CCC[N@H+](C)CCCN1CCOCC1 ZINC000420383029 192235574 /nfs/dbraw/zinc/23/55/74/192235574.db2.gz AZYWIUXMQGKWFE-UHFFFAOYSA-N 2 0 229.368 0.250 20 0 BCADRP [NH3+]C[C@H]1C[N@H+](CC[C@H]2CCCCO2)CCCO1 ZINC000420389688 192235769 /nfs/dbraw/zinc/23/57/69/192235769.db2.gz MIIZWWZEGVSXSZ-OLZOCXBDSA-N 2 0 242.363 0.995 20 0 BCADRP CC[C@H](C)[C@@H](C)[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC000420400926 192238261 /nfs/dbraw/zinc/23/82/61/192238261.db2.gz IVSKCDQOKDLPSC-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1CC[N@H+](CCN2CCCC2=O)C[C@H]1C[NH3+] ZINC000420405881 192239053 /nfs/dbraw/zinc/23/90/53/192239053.db2.gz NBISYCUBACMDNE-VXGBXAGGSA-N 2 0 239.363 0.526 20 0 BCADRP [NH3+]CCOCCN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000420412123 192239495 /nfs/dbraw/zinc/23/94/95/192239495.db2.gz YISRIOSZHAKASA-LBPRGKRZSA-N 2 0 235.331 0.352 20 0 BCADRP C[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000420415820 192240452 /nfs/dbraw/zinc/24/04/52/192240452.db2.gz VIKCKHBHBULERH-FRRDWIJNSA-N 3 0 225.380 0.903 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420418596 192241142 /nfs/dbraw/zinc/24/11/42/192241142.db2.gz XAHWVMOAWHTMNA-MNOVXSKESA-N 2 0 228.336 0.856 20 0 BCADRP C[C@@]1(C(=O)NC2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000336154716 134105485 /nfs/dbraw/zinc/10/54/85/134105485.db2.gz CVEQUUFZSFSIGW-GFCCVEGCSA-N 2 0 225.336 0.244 20 0 BCADRP Cn1cncc1CC[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000639554164 356456692 /nfs/dbraw/zinc/45/66/92/356456692.db2.gz BMMRDZKUEFKNKT-LBPRGKRZSA-N 2 0 248.330 0.269 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000573322693 491092672 /nfs/dbraw/zinc/09/26/72/491092672.db2.gz ZUSBUZASAPSAIR-TUAOUCFPSA-N 2 0 239.363 0.474 20 0 BCADRP NC(=O)[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000043497614 181280747 /nfs/dbraw/zinc/28/07/47/181280747.db2.gz QPLMTCHMWWDONA-NSHDSACASA-N 2 0 225.336 0.183 20 0 BCADRP [NH3+]CC1(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000336176213 134116742 /nfs/dbraw/zinc/11/67/42/134116742.db2.gz MWMKWFOAMPDJAC-WDEREUQCSA-N 2 0 239.363 0.892 20 0 BCADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCc1cncn1C ZINC000639625525 356539101 /nfs/dbraw/zinc/53/91/01/356539101.db2.gz YLCKTNBLGGJEGP-MWLCHTKSSA-N 2 0 236.319 0.077 20 0 BCADRP CN(C(=O)C[C@@H]1CCC[NH2+]1)C1CC([NH3+])C1 ZINC000336203553 134131226 /nfs/dbraw/zinc/13/12/26/134131226.db2.gz CBLCBLVLQSUFRY-KYHHOPLUSA-N 2 0 211.309 0.077 20 0 BCADRP [NH3+]C1(C(=O)NCC2([NH3+])CCCCC2)CCC1 ZINC000336209888 134133626 /nfs/dbraw/zinc/13/36/26/134133626.db2.gz KLOBOFHSLNOSTG-UHFFFAOYSA-N 2 0 225.336 0.646 20 0 BCADRP OCCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682239 356592590 /nfs/dbraw/zinc/59/25/90/356592590.db2.gz OORVWTGCQSZGAX-UHFFFAOYSA-N 2 0 235.331 0.976 20 0 BCADRP [NH3+]CCCCNC(=O)c1csc(CC[NH3+])n1 ZINC000085548807 356574651 /nfs/dbraw/zinc/57/46/51/356574651.db2.gz UKAUWKSBUWYVMX-UHFFFAOYSA-N 2 0 242.348 0.113 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627207147 363503600 /nfs/dbraw/zinc/50/36/00/363503600.db2.gz OZSCPLNJIWYGQY-OPRDCNLKSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)NC(C)(C)CC[NH3+])C[NH2+]1 ZINC000627208570 363504508 /nfs/dbraw/zinc/50/45/08/363504508.db2.gz AUBWBGHVVCJTLH-ZJUUUORDSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)N(C)C2CC([NH3+])C2)C[NH2+]1 ZINC000627209511 363505008 /nfs/dbraw/zinc/50/50/08/363505008.db2.gz GAUYNDAMOZFDRN-QPBDYMMBSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)N[C@]2(C)CC[NH2+]C2)C[NH2+]1 ZINC000627210367 363505375 /nfs/dbraw/zinc/50/53/75/363505375.db2.gz PUCTWNFOCCAANA-JFGNBEQYSA-N 2 0 240.351 0.178 20 0 BCADRP C[C@@H](CO)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422974632 192533702 /nfs/dbraw/zinc/53/37/02/192533702.db2.gz RJZUTYJOTLWZQX-MXWKQRLJSA-N 2 0 200.326 0.735 20 0 BCADRP C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423031678 192546508 /nfs/dbraw/zinc/54/65/08/192546508.db2.gz XNCIJNSMXMPAOG-NTZNESFSSA-N 2 0 222.332 0.915 20 0 BCADRP C[NH+](C)CC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000675055365 538475242 /nfs/dbraw/zinc/47/52/42/538475242.db2.gz RGOFVZMEZIJWNR-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632874081 356659270 /nfs/dbraw/zinc/65/92/70/356659270.db2.gz DDTIRRCAGVRGBS-NNYUYHANSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH+](C)C[C@@]1(O)CCCN(Cc2cccnc2)C1 ZINC000639761004 356675790 /nfs/dbraw/zinc/67/57/90/356675790.db2.gz DPEXRJICMJJTHH-AWEZNQCLSA-N 2 0 249.358 0.970 20 0 BCADRP C[C@H]1CC[N@H+](CC(C)(C)O)C[C@@H]1C[NH3+] ZINC000167671132 134153724 /nfs/dbraw/zinc/15/37/24/134153724.db2.gz FQHIFZZBPMDKBC-UWVGGRQHSA-N 2 0 200.326 0.674 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000167896596 134154530 /nfs/dbraw/zinc/15/45/30/134154530.db2.gz ZJGORJDUSXVJAH-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]1CCCN(C(=O)C[NH+](C)C)[C@H]1C[NH3+] ZINC000167949037 134154828 /nfs/dbraw/zinc/15/48/28/134154828.db2.gz XGADWNMWFKJVAC-UWVGGRQHSA-N 2 0 213.325 0.134 20 0 BCADRP CCOCCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762933 356687577 /nfs/dbraw/zinc/68/75/77/356687577.db2.gz PIHFUHLCBWQGBP-ZDUSSCGKSA-N 2 0 244.379 0.802 20 0 BCADRP C[NH+](C)C[C@@]1(O)CCCN(C[C@H]2CCCO2)C1 ZINC000639764626 356690772 /nfs/dbraw/zinc/69/07/72/356690772.db2.gz HQCQLBDDVCBJEV-OLZOCXBDSA-N 2 0 242.363 0.554 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000034754765 356703216 /nfs/dbraw/zinc/70/32/16/356703216.db2.gz QNCTYLPLEIVUAZ-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+]CCCC(=O)NCc1[nH]cnc1C ZINC000380251146 366363378 /nfs/dbraw/zinc/36/33/78/366363378.db2.gz ZWIZOOLSSOLMLA-UHFFFAOYSA-N 2 0 210.281 0.334 20 0 BCADRP CC1(C)CN(C(=O)[C@]2(F)CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000367187866 356746260 /nfs/dbraw/zinc/74/62/60/356746260.db2.gz SQZDSLYXRINYMA-CABZTGNLSA-N 2 0 243.326 0.274 20 0 BCADRP CCO[C@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])COC)C1 ZINC000423161269 192599160 /nfs/dbraw/zinc/59/91/60/192599160.db2.gz INXFLZFXWMCKIV-SDDRHHMPSA-N 2 0 230.352 0.897 20 0 BCADRP C[C@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623373257 356882885 /nfs/dbraw/zinc/88/28/85/356882885.db2.gz YJRDYOPIXZDDFC-ZJUUUORDSA-N 2 0 200.326 0.830 20 0 BCADRP C[N@@H+]1CCC[C@H]2CN(Cc3cn[nH]n3)CC[C@@H]21 ZINC000450498942 202188014 /nfs/dbraw/zinc/18/80/14/202188014.db2.gz HTMONGKVLBWERT-JQWIXIFHSA-N 2 0 235.335 0.721 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC000041679576 358513023 /nfs/dbraw/zinc/51/30/23/358513023.db2.gz JXLLGZBFHVEUFR-MNOVXSKESA-N 2 0 229.368 0.818 20 0 BCADRP CO[C@@H](C)[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423184512 192613569 /nfs/dbraw/zinc/61/35/69/192613569.db2.gz UCUQIEKOHMNPFG-NEPJUHHUSA-N 2 0 229.368 0.295 20 0 BCADRP [NH3+]CCNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000418114710 356953661 /nfs/dbraw/zinc/95/36/61/356953661.db2.gz MGMPILQINPHFPS-LLVKDONJSA-N 2 0 240.351 0.261 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](C)C[C@H]1CO ZINC000639871930 357039477 /nfs/dbraw/zinc/03/94/77/357039477.db2.gz MHEDWEKRFZDYTC-OLZOCXBDSA-N 2 0 241.379 0.079 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN(C)[C@H]1CCOC1 ZINC000389611407 357003259 /nfs/dbraw/zinc/00/32/59/357003259.db2.gz BDZGNAZDUBFPQI-WDEREUQCSA-N 2 0 216.325 0.020 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000389615401 357004964 /nfs/dbraw/zinc/00/49/64/357004964.db2.gz GHLLRDLYWAUOMW-RKDXNWHRSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000582358529 357101620 /nfs/dbraw/zinc/10/16/20/357101620.db2.gz BYQQSOQWQWFHRX-RCWTZXSCSA-N 2 0 242.367 0.491 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000582359209 357103117 /nfs/dbraw/zinc/10/31/17/357103117.db2.gz XUCVTDBFJPZWHK-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H](C[NH2+]CCC(N)=O)N(C)Cc1ccccc1 ZINC000390652583 357109217 /nfs/dbraw/zinc/10/92/17/357109217.db2.gz YTEJRPMHZTVCKU-LBPRGKRZSA-N 2 0 249.358 0.972 20 0 BCADRP CCOC(=O)CCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000610080246 357067297 /nfs/dbraw/zinc/06/72/97/357067297.db2.gz ICQZWVMYLQPKMN-VXGBXAGGSA-N 2 0 240.347 0.871 20 0 BCADRP CN(C)C(=O)CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000390407007 357097695 /nfs/dbraw/zinc/09/76/95/357097695.db2.gz VJQPYYAWIWLIMN-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP Cc1nc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n[nH]1 ZINC000392360977 357147712 /nfs/dbraw/zinc/14/77/12/357147712.db2.gz BGKPTGSJJONGGJ-ZJUUUORDSA-N 2 0 223.324 0.515 20 0 BCADRP C[C@@H](C(=O)NCC[NH+](C)C)[NH+]1CCCCCC1 ZINC000131188410 325123585 /nfs/dbraw/zinc/12/35/85/325123585.db2.gz IVRBCNOYRSRSQZ-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000583694985 357193484 /nfs/dbraw/zinc/19/34/84/357193484.db2.gz UHHRGCMUBDROFV-ZDUSSCGKSA-N 2 0 247.342 0.904 20 0 BCADRP CN(C(=O)CC1(C[NH3+])CC1)[C@@H](C[NH3+])C1CC1 ZINC000583692788 357179465 /nfs/dbraw/zinc/17/94/65/357179465.db2.gz DBNIQUJHAIIDBC-JTQLQIEISA-N 2 0 225.336 0.311 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CCC([NH2+]C(C)C)CC1 ZINC000583697960 357272089 /nfs/dbraw/zinc/27/20/89/357272089.db2.gz DYNBQLOXOUESOY-ZDUSSCGKSA-N 2 0 243.395 0.419 20 0 BCADRP C[C@H](CC(=O)N(C)CC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000582964062 357440646 /nfs/dbraw/zinc/44/06/46/357440646.db2.gz SYIAUBJCHWNCOS-MNOVXSKESA-N 2 0 227.352 0.429 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000582785159 357392543 /nfs/dbraw/zinc/39/25/43/357392543.db2.gz XBSHLKYHGCFLEF-GIPNMCIBSA-N 2 0 239.363 0.570 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050247014 357403908 /nfs/dbraw/zinc/40/39/08/357403908.db2.gz RHXPHGOBIQTNCB-SECBINFHSA-N 2 0 200.282 0.220 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CC[NH2+]C2CC2)CC[NH2+]1 ZINC000582857025 357421763 /nfs/dbraw/zinc/42/17/63/357421763.db2.gz WTFYMGSEALEUFQ-MWLCHTKSSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000582899944 357424781 /nfs/dbraw/zinc/42/47/81/357424781.db2.gz RZVOHZJINVSZCL-KQXIARHKSA-N 2 0 237.347 0.243 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000583084447 357475171 /nfs/dbraw/zinc/47/51/71/357475171.db2.gz YAQQAZLSDNSLLH-MXWKQRLJSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@@H]1C[C@H](C)N(Cc2ncnn2C)C[C@H]1C[NH3+] ZINC000397340881 357512680 /nfs/dbraw/zinc/51/26/80/357512680.db2.gz AVSIDOVHZJHBAN-OUAUKWLOSA-N 2 0 237.351 0.620 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC(C[NH3+])CC1 ZINC000583143034 357493250 /nfs/dbraw/zinc/49/32/50/357493250.db2.gz UAIACGBCBMXRMT-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000583145744 357494760 /nfs/dbraw/zinc/49/47/60/357494760.db2.gz VIMFGBWBKMDVHD-WDEREUQCSA-N 2 0 239.363 0.633 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000230711416 357573835 /nfs/dbraw/zinc/57/38/35/357573835.db2.gz YPSZWMKXPXVOJX-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C(=O)NCC2CC[NH2+]CC2)C1 ZINC000583198634 357517244 /nfs/dbraw/zinc/51/72/44/357517244.db2.gz UWWSKNBVAHPZKI-NWDGAFQWSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000082771914 491112471 /nfs/dbraw/zinc/11/24/71/491112471.db2.gz YYUCJVHDZCZDOT-UHFFFAOYSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@@H]1CN(C(=O)CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC000188452954 357554661 /nfs/dbraw/zinc/55/46/61/357554661.db2.gz RAVJGWHPFHRLPU-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP O[C@H](C[NH2+]CC[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000231708351 357623047 /nfs/dbraw/zinc/62/30/47/357623047.db2.gz XVXJFLKYFICOLT-CHWSQXEVSA-N 2 0 242.363 0.459 20 0 BCADRP CCC[C@H](C(=O)N1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000189004835 357600878 /nfs/dbraw/zinc/60/08/78/357600878.db2.gz WKGTXAWPENGWID-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP CCN1CCC[C@H]1C[NH2+][C@@H](CCC[NH3+])COC ZINC000233492660 357725726 /nfs/dbraw/zinc/72/57/26/357725726.db2.gz DHMDNWKGVBRSMD-STQMWFEESA-N 2 0 243.395 0.814 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000190743327 357729810 /nfs/dbraw/zinc/72/98/10/357729810.db2.gz SRRXUKCOCCIZDL-ONGXEEELSA-N 2 0 225.336 0.467 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000418388600 357807957 /nfs/dbraw/zinc/80/79/57/357807957.db2.gz SPXHXFJNOINYCJ-SECBINFHSA-N 2 0 228.340 0.165 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000086064875 357808362 /nfs/dbraw/zinc/80/83/62/357808362.db2.gz HLORIGKXXJLWDE-SNVBAGLBSA-N 2 0 227.352 0.395 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086066969 357810145 /nfs/dbraw/zinc/81/01/45/357810145.db2.gz SRNOAJDSBCWREZ-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000086068854 357815519 /nfs/dbraw/zinc/81/55/19/357815519.db2.gz PSPWIKJLYQBVMW-GHMZBOCLSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000192969442 357862198 /nfs/dbraw/zinc/86/21/98/357862198.db2.gz NQGIDRSCUWOYKP-GFCCVEGCSA-N 2 0 242.363 0.411 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CCN1CCCCC1 ZINC000234784251 357828686 /nfs/dbraw/zinc/82/86/86/357828686.db2.gz AWCRQHVSGUKFDQ-ZDUSSCGKSA-N 2 0 243.395 0.816 20 0 BCADRP O=C1CC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCN12 ZINC000168572401 134226966 /nfs/dbraw/zinc/22/69/66/134226966.db2.gz QHMAEPNGKSNXPF-GFCCVEGCSA-N 2 0 237.347 0.293 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@](C)(CO)C(C)C ZINC000398526127 357887484 /nfs/dbraw/zinc/88/74/84/357887484.db2.gz VPTSGEPKCSYDEL-NWDGAFQWSA-N 2 0 232.368 0.296 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000583323067 357904902 /nfs/dbraw/zinc/90/49/02/357904902.db2.gz ZCWPUYGJQYGWPH-UHFFFAOYSA-N 2 0 242.363 0.725 20 0 BCADRP C[C@H]1C[C@H](C(=O)NCC[N@H+](C)C2CC2)CC[NH2+]1 ZINC000235678326 357928123 /nfs/dbraw/zinc/92/81/23/357928123.db2.gz IXQMZZOYVCLSAY-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+][C@@H](C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)C1CCC1 ZINC000584408572 357913162 /nfs/dbraw/zinc/91/31/62/357913162.db2.gz HGYUNELYNRMODO-MVWJERBFSA-N 2 0 239.363 0.748 20 0 BCADRP COC[C@](C)(CO)[NH2+]CCC[NH+]1CCCCC1 ZINC000639958521 357983820 /nfs/dbraw/zinc/98/38/20/357983820.db2.gz UNXUPAGDHKYOIG-ZDUSSCGKSA-N 2 0 244.379 0.849 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000584473254 357990431 /nfs/dbraw/zinc/99/04/31/357990431.db2.gz VHIMYNIOGKOSRX-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(C)COC1 ZINC000133645720 325306018 /nfs/dbraw/zinc/30/60/18/325306018.db2.gz YCUKUQBTCGTFEB-QWRGUYRKSA-N 2 0 212.337 0.953 20 0 BCADRP COC(=O)CCC[N@H+](C)C1CC[NH2+]CC1 ZINC000036300871 358019028 /nfs/dbraw/zinc/01/90/28/358019028.db2.gz WFYXWJWWPQYVJI-UHFFFAOYSA-N 2 0 214.309 0.623 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000584529221 358041844 /nfs/dbraw/zinc/04/18/44/358041844.db2.gz VWCAOPHUWBBAAQ-ATZCPNFKSA-N 2 0 221.304 0.538 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000662964232 491119395 /nfs/dbraw/zinc/11/93/95/491119395.db2.gz AOCIJWLEPDSUFN-PWSUYJOCSA-N 2 0 235.331 0.719 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000036999120 358063833 /nfs/dbraw/zinc/06/38/33/358063833.db2.gz YTODLUAVJVWCBK-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000037042469 358064295 /nfs/dbraw/zinc/06/42/95/358064295.db2.gz UZINYWHCWLNPBK-LLVKDONJSA-N 2 0 225.336 0.467 20 0 BCADRP O=C(C[NH2+]C1CC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649673 358084741 /nfs/dbraw/zinc/08/47/41/358084741.db2.gz BPPPJKGCDSUQHM-JTQLQIEISA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000221635337 358101294 /nfs/dbraw/zinc/10/12/94/358101294.db2.gz DCSYDWVBKSIEFD-TUAOUCFPSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000584589805 358103289 /nfs/dbraw/zinc/10/32/89/358103289.db2.gz SQSLIRYMBGXYNA-KOLCDFICSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000584589804 358103445 /nfs/dbraw/zinc/10/34/45/358103445.db2.gz SQSLIRYMBGXYNA-GXSJLCMTSA-N 2 0 225.336 0.182 20 0 BCADRP COC[C@](C)(O)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000584665371 358126719 /nfs/dbraw/zinc/12/67/19/358126719.db2.gz KCXVPOPUVSSQFP-QJPTWQEYSA-N 2 0 230.352 0.633 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000390378353 491122115 /nfs/dbraw/zinc/12/21/15/491122115.db2.gz YMSDWIRBGHQKRL-RKDXNWHRSA-N 2 0 213.325 0.500 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000086271808 491123761 /nfs/dbraw/zinc/12/37/61/491123761.db2.gz GBIFPLHHKPLNHI-SFXRXQKFSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334238958 491123781 /nfs/dbraw/zinc/12/37/81/491123781.db2.gz UDXPHOOERRALJM-AAEUAGOBSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000584783353 358177006 /nfs/dbraw/zinc/17/70/06/358177006.db2.gz QQQJAWHIBMDOLP-OUAUKWLOSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000086271807 491123755 /nfs/dbraw/zinc/12/37/55/491123755.db2.gz GBIFPLHHKPLNHI-IDWGSYCQSA-N 2 0 225.336 0.371 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000584838100 358198269 /nfs/dbraw/zinc/19/82/69/358198269.db2.gz UDYNVLKOCMBXFB-VWYCJHECSA-N 2 0 225.336 0.195 20 0 BCADRP CN(CCC[NH3+])C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000584849124 358208867 /nfs/dbraw/zinc/20/88/67/358208867.db2.gz GLBVNIPGBXYUNV-GHMZBOCLSA-N 2 0 242.367 0.494 20 0 BCADRP CN(CCC[NH3+])C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000584849133 358208883 /nfs/dbraw/zinc/20/88/83/358208883.db2.gz GLBVNIPGBXYUNV-WDEREUQCSA-N 2 0 242.367 0.494 20 0 BCADRP COCC[N@H+](C)CCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000584850669 358209399 /nfs/dbraw/zinc/20/93/99/358209399.db2.gz QFLDGONIUYMNQH-CHWSQXEVSA-N 2 0 243.395 0.814 20 0 BCADRP C[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000223039453 358214007 /nfs/dbraw/zinc/21/40/07/358214007.db2.gz FEZLVVSPIUOKEM-GMTAPVOTSA-N 2 0 200.326 0.864 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000041043481 358241651 /nfs/dbraw/zinc/24/16/51/358241651.db2.gz VEZIAQLTKGHZLJ-JTQLQIEISA-N 2 0 207.277 0.151 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)N(C)C)C1 ZINC000040601624 358242903 /nfs/dbraw/zinc/24/29/03/358242903.db2.gz OAFWLECCLFEVPE-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000653232482 491128504 /nfs/dbraw/zinc/12/85/04/491128504.db2.gz CBTHRVVCKBWRNQ-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](C)COC)C1 ZINC000226640304 358342935 /nfs/dbraw/zinc/34/29/35/358342935.db2.gz UZTBHLPWMZOPCH-MNOVXSKESA-N 2 0 200.326 0.810 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000042308780 358346863 /nfs/dbraw/zinc/34/68/63/358346863.db2.gz KMNPAJQDDSHUGX-LBPRGKRZSA-N 2 0 227.352 0.002 20 0 BCADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(=O)N1CCCC1 ZINC000228089411 358368141 /nfs/dbraw/zinc/36/81/41/358368141.db2.gz GPMOZDLJBCHXBS-QJPTWQEYSA-N 2 0 239.363 0.857 20 0 BCADRP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000228309876 358373600 /nfs/dbraw/zinc/37/36/00/358373600.db2.gz BANGPYYPQDYHQL-LNFKQOIKSA-N 2 0 232.393 0.958 20 0 BCADRP C(C[N@@H+]1CCO[C@H]2CCC[C@@H]21)N1CC[NH2+]CC1 ZINC000043427995 358375687 /nfs/dbraw/zinc/37/56/87/358375687.db2.gz PFQVVSKRPSYPQJ-STQMWFEESA-N 2 0 239.363 0.145 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000230711444 358410346 /nfs/dbraw/zinc/41/03/46/358410346.db2.gz DTPBNZFEANKXPE-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]CCC(=O)NCC[NH+]1CCCCCC1 ZINC000043605812 358384537 /nfs/dbraw/zinc/38/45/37/358384537.db2.gz MGHFBLAEUSIAPI-UHFFFAOYSA-N 2 0 227.352 0.588 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044538933 358390493 /nfs/dbraw/zinc/39/04/93/358390493.db2.gz YRRBAEBKCVGKKH-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538949 358390736 /nfs/dbraw/zinc/39/07/36/358390736.db2.gz ORJBPYUBWUAQRZ-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCOC1 ZINC000219316932 134281144 /nfs/dbraw/zinc/28/11/44/134281144.db2.gz HOSRBAFHSCJIJY-VXGBXAGGSA-N 2 0 230.352 0.579 20 0 BCADRP COC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623427567 358437494 /nfs/dbraw/zinc/43/74/94/358437494.db2.gz DFQKODREZNSWOO-NEPJUHHUSA-N 2 0 244.379 0.846 20 0 BCADRP CO[C@@H](C)[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219314777 134281611 /nfs/dbraw/zinc/28/16/11/134281611.db2.gz CIOXDEZEOFIFMJ-MNOVXSKESA-N 2 0 218.341 0.578 20 0 BCADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccnn1C ZINC000219305918 134281650 /nfs/dbraw/zinc/28/16/50/134281650.db2.gz QAOQBGIRWQXIIW-NSHDSACASA-N 2 0 240.351 0.649 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000044806565 358554433 /nfs/dbraw/zinc/55/44/33/358554433.db2.gz NVCBWYARHVFBFN-MNOVXSKESA-N 2 0 229.368 0.674 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044808503 358555299 /nfs/dbraw/zinc/55/52/99/358555299.db2.gz NNTYKIKJIUBFHF-JQWIXIFHSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH+](C)CC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175445016 134287176 /nfs/dbraw/zinc/28/71/76/134287176.db2.gz FXQWUWOBTKAGCN-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000131205532 358666221 /nfs/dbraw/zinc/66/62/21/358666221.db2.gz ZKKALDHEBSCLAA-ONGXEEELSA-N 2 0 229.299 0.028 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000131540833 358680811 /nfs/dbraw/zinc/68/08/11/358680811.db2.gz GVGUEPNQPBIHHC-NSHDSACASA-N 2 0 219.288 0.836 20 0 BCADRP [NH3+][C@@H](C(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000131673354 358688239 /nfs/dbraw/zinc/68/82/39/358688239.db2.gz KGRMHHUFDKUBGT-GHMZBOCLSA-N 2 0 219.288 0.165 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000049559646 358695452 /nfs/dbraw/zinc/69/54/52/358695452.db2.gz VYWYJENXRJJBEP-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP CCCC[N@H+](CC[C@H]1CCC[NH2+]C1)CC(N)=O ZINC000051919346 358767401 /nfs/dbraw/zinc/76/74/01/358767401.db2.gz LWRRLTXNGFYKQW-GFCCVEGCSA-N 2 0 241.379 0.964 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000578240109 366468391 /nfs/dbraw/zinc/46/83/91/366468391.db2.gz HOXJHKLGBVDTNR-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H](C)C[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298608 358821371 /nfs/dbraw/zinc/82/13/71/358821371.db2.gz IGEDLMURLLBQND-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP CCCC[N@H+](C)CC1CC[NH+](CC(N)=O)CC1 ZINC000052209340 358776233 /nfs/dbraw/zinc/77/62/33/358776233.db2.gz LEUKPKZMQFEKDC-UHFFFAOYSA-N 2 0 241.379 0.916 20 0 BCADRP Cn1cc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000226151564 358784677 /nfs/dbraw/zinc/78/46/77/358784677.db2.gz AXDGHBMNLNQISN-VXGBXAGGSA-N 2 0 220.320 0.114 20 0 BCADRP CC[C@@]1(C(=O)N2CC[C@@H]([NH2+]C)C2)CCC[NH2+]1 ZINC000134365507 358788232 /nfs/dbraw/zinc/78/82/32/358788232.db2.gz GAKTUUJRPBKKHM-PWSUYJOCSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134547894 358795327 /nfs/dbraw/zinc/79/53/27/358795327.db2.gz LGCIQSKQKLLBRU-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)COC)CC1 ZINC000177050620 134294331 /nfs/dbraw/zinc/29/43/31/134294331.db2.gz BIPTTWDRDJUPFT-ZDUSSCGKSA-N 2 0 244.379 0.800 20 0 BCADRP [NH3+]CCCCC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000578236322 366464644 /nfs/dbraw/zinc/46/46/44/366464644.db2.gz JIWVPHYMJADNNU-LLVKDONJSA-N 2 0 227.352 0.764 20 0 BCADRP [NH3+]CCCCC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000578236323 366465004 /nfs/dbraw/zinc/46/50/04/366465004.db2.gz JIWVPHYMJADNNU-NSHDSACASA-N 2 0 227.352 0.764 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136205735 358868865 /nfs/dbraw/zinc/86/88/65/358868865.db2.gz CWSDBBCHQQOKJH-WCQYABFASA-N 2 0 241.379 0.975 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000564082934 358849101 /nfs/dbraw/zinc/84/91/01/358849101.db2.gz CARFPXSNEMJTMJ-JQWIXIFHSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC(C)(C)CO ZINC000308686557 491137791 /nfs/dbraw/zinc/13/77/91/491137791.db2.gz ZSUMOJDQSNVIRH-ZJUUUORDSA-N 2 0 200.326 0.545 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000136805315 358888004 /nfs/dbraw/zinc/88/80/04/358888004.db2.gz BAODCBCRPYWKPR-JTQLQIEISA-N 2 0 225.336 0.102 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000137337192 358896181 /nfs/dbraw/zinc/89/61/81/358896181.db2.gz BTLXIDZLHVHXHM-GHMZBOCLSA-N 2 0 237.347 0.230 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)CC[NH2+]C ZINC000220046150 134298770 /nfs/dbraw/zinc/29/87/70/134298770.db2.gz BRQLAUCASFYKFS-UHFFFAOYSA-N 2 0 215.341 0.444 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000578321513 366509680 /nfs/dbraw/zinc/50/96/80/366509680.db2.gz GFDPAQQRJZAQLZ-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+]1CCC(N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000086402729 358966805 /nfs/dbraw/zinc/96/68/05/358966805.db2.gz OATUVQZPPOPFEH-ZYHUDNBSSA-N 2 0 211.353 0.940 20 0 BCADRP COCCOCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086402446 358966975 /nfs/dbraw/zinc/96/69/75/358966975.db2.gz IKTZXWSAAMQJPN-NEPJUHHUSA-N 2 0 230.352 0.899 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC000086403566 358967440 /nfs/dbraw/zinc/96/74/40/358967440.db2.gz IXCQEDLFJKORDB-QWRGUYRKSA-N 2 0 208.309 0.743 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H](C)C1=CC[N@H+](C)CC1 ZINC000578351364 366533717 /nfs/dbraw/zinc/53/37/17/366533717.db2.gz UMPITGKKBJTUAE-JQWIXIFHSA-N 2 0 228.336 0.234 20 0 BCADRP C[C@H]1C[NH+](CCOCC[NH3+])C[C@H](C)S1 ZINC000086435821 358977098 /nfs/dbraw/zinc/97/70/98/358977098.db2.gz XFGMRRKKCNYIJT-UWVGGRQHSA-N 2 0 218.366 0.788 20 0 BCADRP CC(C)OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247076693 359192725 /nfs/dbraw/zinc/19/27/25/359192725.db2.gz HRDOBUXIRUCKIB-QWHCGFSZSA-N 2 0 244.379 0.656 20 0 BCADRP COC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247944452 359249973 /nfs/dbraw/zinc/24/99/73/359249973.db2.gz HCXAGAROAJLFSV-VXGBXAGGSA-N 2 0 240.347 0.966 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000572282492 359349272 /nfs/dbraw/zinc/34/92/72/359349272.db2.gz DFYJXZZLBQACSG-XHNCKOQMSA-N 2 0 216.329 0.101 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)C2(N(C)C)CC2)C1 ZINC000611748776 359441763 /nfs/dbraw/zinc/44/17/63/359441763.db2.gz ABOSJLFAJVDOJF-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccnc(C[NH3+])c1 ZINC000574987709 359522954 /nfs/dbraw/zinc/52/29/54/359522954.db2.gz MGNHLVDNLCMZOV-SKDRFNHKSA-N 2 0 248.330 0.268 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)[C@@H](C)[NH3+] ZINC000423608866 192818667 /nfs/dbraw/zinc/81/86/67/192818667.db2.gz LUPBILIYUNQUAM-KXNHARMFSA-N 2 0 241.379 0.863 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000423685753 192823665 /nfs/dbraw/zinc/82/36/65/192823665.db2.gz SVJBRLMXEMVJFI-LPEHRKFASA-N 2 0 215.341 0.459 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC000423679641 192822382 /nfs/dbraw/zinc/82/23/82/192822382.db2.gz MEAGHUGWCOLTRT-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@@H](CO)[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000379609504 359566625 /nfs/dbraw/zinc/56/66/25/359566625.db2.gz SHFKVNCYYWLTOG-DCAQKATOSA-N 2 0 200.326 0.687 20 0 BCADRP C[C@@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000580443184 359551643 /nfs/dbraw/zinc/55/16/43/359551643.db2.gz MORDDQJSKFMRQM-CMPLNLGQSA-N 2 0 225.336 0.102 20 0 BCADRP CC1(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C[NH2+]C1 ZINC000423577591 192815425 /nfs/dbraw/zinc/81/54/25/192815425.db2.gz SJALZFQSVDMRNM-GARJFASQSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623454902 359616159 /nfs/dbraw/zinc/61/61/59/359616159.db2.gz SZUJMUSPYWWFGH-UWVGGRQHSA-N 2 0 227.352 0.713 20 0 BCADRP COC(=O)[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000141514771 359603792 /nfs/dbraw/zinc/60/37/92/359603792.db2.gz QWHJUWUCVOARMY-NSHDSACASA-N 2 0 226.320 0.623 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000423949944 192849164 /nfs/dbraw/zinc/84/91/64/192849164.db2.gz NNOAAPLCBAEDGI-LLVKDONJSA-N 2 0 227.352 0.524 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000578355936 366536766 /nfs/dbraw/zinc/53/67/66/366536766.db2.gz IHLVUQGKSMAGCM-UHFFFAOYSA-N 2 0 247.342 0.956 20 0 BCADRP CC(=O)[C@@](C)(O)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000450854438 202289482 /nfs/dbraw/zinc/28/94/82/202289482.db2.gz KLCNMKGAXSWLIT-OLZOCXBDSA-N 2 0 242.363 0.743 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)CC[C@H]1CC[NH2+]C1 ZINC000578359582 366538185 /nfs/dbraw/zinc/53/81/85/366538185.db2.gz DTIXDXNHMMLOTK-NSHDSACASA-N 2 0 241.379 0.819 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCC[NH3+] ZINC000578442147 366569795 /nfs/dbraw/zinc/56/97/95/366569795.db2.gz AFCZGMIJJOXPNX-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)c1ccccc1 ZINC000578507582 366582812 /nfs/dbraw/zinc/58/28/12/366582812.db2.gz WGZRMWBMYVLHFJ-DYEKYZERSA-N 2 0 245.326 0.555 20 0 BCADRP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(=O)NC ZINC000578522772 366589656 /nfs/dbraw/zinc/58/96/56/366589656.db2.gz WQJBOHXNGXJCLS-UTLUCORTSA-N 2 0 213.325 0.371 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000578524618 366590651 /nfs/dbraw/zinc/59/06/51/366590651.db2.gz LWEIALYXRIFJDQ-GHMZBOCLSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000578531179 366585846 /nfs/dbraw/zinc/58/58/46/366585846.db2.gz ZAMAMLWXGJOZFL-LLVKDONJSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC[C@H]2C[NH2+]CCCO2)C1 ZINC000578669031 366624523 /nfs/dbraw/zinc/62/45/23/366624523.db2.gz YMRVPPQQXDWITM-IJLUTSLNSA-N 2 0 227.352 0.224 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC[C@H]2C[NH2+]CCCO2)C1 ZINC000578669030 366624535 /nfs/dbraw/zinc/62/45/35/366624535.db2.gz YMRVPPQQXDWITM-GRYCIOLGSA-N 2 0 227.352 0.224 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164069 359939039 /nfs/dbraw/zinc/93/90/39/359939039.db2.gz GOTHRLBHJGBXLL-WAAKLRNESA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578879783 366666528 /nfs/dbraw/zinc/66/65/28/366666528.db2.gz ILLFLUZNHGGZCP-GMXVVIOVSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1conc1C(C)(C)[NH3+] ZINC000578906484 366672467 /nfs/dbraw/zinc/67/24/67/366672467.db2.gz NAPMTNQKBQHCRK-RNFRBKRXSA-N 2 0 240.307 0.334 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612875061 360135235 /nfs/dbraw/zinc/13/52/35/360135235.db2.gz BWHGQQDWAIHYRG-ZYHUDNBSSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612925914 360195805 /nfs/dbraw/zinc/19/58/05/360195805.db2.gz RNWXXGGIPAABBS-ONGXEEELSA-N 2 0 228.340 0.165 20 0 BCADRP C[C@]1(NC(=O)NCC2([NH3+])CCCC2)CC[NH2+]C1 ZINC000612929037 360197379 /nfs/dbraw/zinc/19/73/79/360197379.db2.gz CLGIVWBFZPCMAP-NSHDSACASA-N 2 0 240.351 0.309 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612929183 360197661 /nfs/dbraw/zinc/19/76/61/360197661.db2.gz IMXMIFXSSVSZLU-ATZCPNFKSA-N 2 0 228.340 0.163 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612930755 360202144 /nfs/dbraw/zinc/20/21/44/360202144.db2.gz SCXGEQUEGBVXBC-PWSUYJOCSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@@]1(NC(=O)N[C@@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000612919957 360181085 /nfs/dbraw/zinc/18/10/85/360181085.db2.gz AVILIMBOZFZBMH-ZYHUDNBSSA-N 2 0 240.351 0.180 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612922200 360182905 /nfs/dbraw/zinc/18/29/05/360182905.db2.gz CAISQPFCVHDCLG-SCVCMEIPSA-N 2 0 240.351 0.036 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612914255 360187851 /nfs/dbraw/zinc/18/78/51/360187851.db2.gz CVEWHRYWZHXZKE-NSHDSACASA-N 2 0 228.340 0.037 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430708203 192886588 /nfs/dbraw/zinc/88/65/88/192886588.db2.gz RVVAQQQPQIJUKI-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612986064 360239172 /nfs/dbraw/zinc/23/91/72/360239172.db2.gz IZEWWCVDKOEELM-JTQLQIEISA-N 2 0 240.351 0.037 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612995767 360249131 /nfs/dbraw/zinc/24/91/31/360249131.db2.gz ZMZBIGYWTHODOQ-JTQLQIEISA-N 2 0 240.351 0.119 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612995167 360249167 /nfs/dbraw/zinc/24/91/67/360249167.db2.gz WQRHFHKQINWZRI-NXEZZACHSA-N 2 0 240.351 0.165 20 0 BCADRP C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC000614038820 363713950 /nfs/dbraw/zinc/71/39/50/363713950.db2.gz DLNBGIGEGDNHPB-NSHDSACASA-N 2 0 237.347 0.245 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309458107 491148578 /nfs/dbraw/zinc/14/85/78/491148578.db2.gz NBTINQHPAKAHMJ-JHJVBQTASA-N 3 0 223.364 0.622 20 0 BCADRP C[N@@H+]1CCC[C@H]1CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309458109 491148586 /nfs/dbraw/zinc/14/85/86/491148586.db2.gz NBTINQHPAKAHMJ-XQQFMLRXSA-N 3 0 223.364 0.622 20 0 BCADRP C[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000306588950 360494742 /nfs/dbraw/zinc/49/47/42/360494742.db2.gz WGPXBAIVRMIXDW-RCWTZXSCSA-N 2 0 200.326 0.672 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000626950236 360529920 /nfs/dbraw/zinc/52/99/20/360529920.db2.gz NKKRQOZNICVOBU-GARJFASQSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626954526 360531001 /nfs/dbraw/zinc/53/10/01/360531001.db2.gz DYMZQSCPZPOBOM-GARJFASQSA-N 2 0 242.367 0.376 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000578970569 366682517 /nfs/dbraw/zinc/68/25/17/366682517.db2.gz KJXRMQYMXBSRTB-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449359709 200668207 /nfs/dbraw/zinc/66/82/07/200668207.db2.gz QULGSOSHJGCOLC-GMTAPVOTSA-N 2 0 227.352 0.605 20 0 BCADRP C[C@H]1C[C@H]1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414787584 200763867 /nfs/dbraw/zinc/76/38/67/200763867.db2.gz ZGAQMBHIWAVZNP-RYUDHWBXSA-N 2 0 211.353 0.527 20 0 BCADRP CC[NH2+][C@H](C)CNC[C@@H]([NH3+])CC(C)C ZINC000414953672 200785622 /nfs/dbraw/zinc/78/56/22/200785622.db2.gz JZKBAIYZELFURS-MNOVXSKESA-N 2 0 201.358 0.947 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1CC[NH2+][C@H]1C ZINC000629407436 361056390 /nfs/dbraw/zinc/05/63/90/361056390.db2.gz ACXDNYALSGTKEW-LYIQGSDWSA-N 2 0 223.364 0.809 20 0 BCADRP [NH3+]C1(C[NH2+][C@@H]2CCCSC2)CCOCC1 ZINC000629388219 361040275 /nfs/dbraw/zinc/04/02/75/361040275.db2.gz OTUVBASBGJELPS-SNVBAGLBSA-N 2 0 230.377 0.980 20 0 BCADRP C[NH2+]CCOCC[NH2+]C1CCSCC1 ZINC000629393167 361041913 /nfs/dbraw/zinc/04/19/13/361041913.db2.gz YKNYZEDOMCHCNU-UHFFFAOYSA-N 2 0 218.366 0.708 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000578984430 366685482 /nfs/dbraw/zinc/68/54/82/366685482.db2.gz GWWIMZWDSGQGPL-QJPTWQEYSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCOCCC[NH3+])CN1C1CC1 ZINC000629401591 361051903 /nfs/dbraw/zinc/05/19/03/361051903.db2.gz TXFQOLYWJWRCEJ-RYUDHWBXSA-N 2 0 241.379 0.567 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCOCCC[NH3+])CN1C1CC1 ZINC000629401590 361052124 /nfs/dbraw/zinc/05/21/24/361052124.db2.gz TXFQOLYWJWRCEJ-NWDGAFQWSA-N 2 0 241.379 0.567 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000629405899 361053964 /nfs/dbraw/zinc/05/39/64/361053964.db2.gz XHNCYPJOWKGGDH-QWHCGFSZSA-N 3 0 241.379 0.439 20 0 BCADRP CC(C)C[C@H]([NH3+])CN[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414933840 219884211 /nfs/dbraw/zinc/88/42/11/219884211.db2.gz DSEBWXVHHHOJJH-SDDRHHMPSA-N 2 0 213.369 0.947 20 0 BCADRP C[NH+](C)CCN(C(=O)[C@@H]1C[C@@H]1[NH3+])c1ccccc1 ZINC000424141436 200866063 /nfs/dbraw/zinc/86/60/63/200866063.db2.gz COIRBPFWKZJHTF-OLZOCXBDSA-N 2 0 247.342 0.928 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CC[NH2+]2)C[C@H]1C[NH3+] ZINC000424083791 200857427 /nfs/dbraw/zinc/85/74/27/200857427.db2.gz YJBPFIGQUCDGEF-GWOFURMSSA-N 2 0 225.336 0.180 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000424217604 200890925 /nfs/dbraw/zinc/89/09/25/200890925.db2.gz MOKGILLUNRIJHG-QJPTWQEYSA-N 2 0 239.363 0.905 20 0 BCADRP CO[C@@H](C)[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629521075 361117656 /nfs/dbraw/zinc/11/76/56/361117656.db2.gz KZLILTQILAWTFV-ZJUUUORDSA-N 2 0 216.325 0.507 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000424217603 200891325 /nfs/dbraw/zinc/89/13/25/200891325.db2.gz MOKGILLUNRIJHG-IJLUTSLNSA-N 2 0 239.363 0.905 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NCC1([NH3+])CCOCC1 ZINC000629519979 361119968 /nfs/dbraw/zinc/11/99/68/361119968.db2.gz JMUACWJWQQVJAJ-WDEREUQCSA-N 2 0 227.352 0.082 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424184983 200881026 /nfs/dbraw/zinc/88/10/26/200881026.db2.gz YXFJVGNWGXUEEV-CHWFTXMASA-N 2 0 225.336 0.132 20 0 BCADRP [NH3+]C1(C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000336504699 181323738 /nfs/dbraw/zinc/32/37/38/181323738.db2.gz GLZAMGLSNHEPPU-UHFFFAOYSA-N 2 0 237.347 0.470 20 0 BCADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1NC[C@H]1CCC[N@@H+]1C ZINC000629519872 361120407 /nfs/dbraw/zinc/12/04/07/361120407.db2.gz RRVPKEYWBUVIMU-LOWDOPEQSA-N 2 0 241.379 0.423 20 0 BCADRP C[C@@](C[NH3+])([NH2+]CCOC1CCOCC1)C1CC1 ZINC000629515581 361114465 /nfs/dbraw/zinc/11/44/65/361114465.db2.gz SWEJBAIHDUMDNK-ZDUSSCGKSA-N 2 0 242.363 0.899 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000629528334 361131579 /nfs/dbraw/zinc/13/15/79/361131579.db2.gz WLAHHORDXHYWDE-GRYCIOLGSA-N 2 0 211.353 0.859 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](CCC[NH3+])COC ZINC000629527809 361133991 /nfs/dbraw/zinc/13/39/91/361133991.db2.gz GTMFBGSKBZUBSD-SDDRHHMPSA-N 2 0 229.368 0.470 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000629528298 361135591 /nfs/dbraw/zinc/13/55/91/361135591.db2.gz VZVJCOQKZZWFIJ-JZRPKSSGSA-N 2 0 241.379 0.469 20 0 BCADRP [NH3+]C1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000037812674 181324783 /nfs/dbraw/zinc/32/47/83/181324783.db2.gz FBJVKZARVRRAPM-NSHDSACASA-N 2 0 237.347 0.565 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cn(C)nc1C ZINC000629528707 361137461 /nfs/dbraw/zinc/13/74/61/361137461.db2.gz HFLPKUMXYHODSQ-SNVBAGLBSA-N 2 0 240.351 0.615 20 0 BCADRP CCn1cc([C@H](C)[NH2+]CCOCC[NH2+]C)cn1 ZINC000629528959 361138250 /nfs/dbraw/zinc/13/82/50/361138250.db2.gz OAKGLSICXPTEEM-NSHDSACASA-N 2 0 240.351 0.790 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CCOC[C@H]1C ZINC000629530497 361144395 /nfs/dbraw/zinc/14/43/95/361144395.db2.gz IGCSLIBUSQUQIS-MNOVXSKESA-N 2 0 216.325 0.237 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccnn1C ZINC000629530266 361144432 /nfs/dbraw/zinc/14/44/32/361144432.db2.gz BBQWXXOBWNQBKD-JTQLQIEISA-N 2 0 226.324 0.307 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccnn1C ZINC000629530267 361144466 /nfs/dbraw/zinc/14/44/66/361144466.db2.gz BBQWXXOBWNQBKD-SNVBAGLBSA-N 2 0 226.324 0.307 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000629530499 361144487 /nfs/dbraw/zinc/14/44/87/361144487.db2.gz IGCSLIBUSQUQIS-WDEREUQCSA-N 2 0 216.325 0.237 20 0 BCADRP CC(C)(C)CNC(=O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000629530425 361144641 /nfs/dbraw/zinc/14/46/41/361144641.db2.gz GRCJFLZMVISKOF-ZDUSSCGKSA-N 2 0 241.379 0.819 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000629530768 361145880 /nfs/dbraw/zinc/14/58/80/361145880.db2.gz QMSYRTZZYDGUGB-GMTAPVOTSA-N 2 0 200.326 0.857 20 0 BCADRP C[NH2+]CCOCCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000629531445 361148680 /nfs/dbraw/zinc/14/86/80/361148680.db2.gz LEZNMITWLLIEMH-NWDGAFQWSA-N 2 0 229.368 0.343 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000629531810 361149959 /nfs/dbraw/zinc/14/99/59/361149959.db2.gz YWRVLSHXLWZZML-NEPJUHHUSA-N 3 0 229.368 0.330 20 0 BCADRP CN1CCOC[C@@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000629532954 361156070 /nfs/dbraw/zinc/15/60/70/361156070.db2.gz ZXKAPHTYBRIPLD-BPCQOVAHSA-N 2 0 241.379 0.424 20 0 BCADRP CC(C)CC[C@@H](CO)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000629523297 361124567 /nfs/dbraw/zinc/12/45/67/361124567.db2.gz LDJDFDLIRVHZPB-JQWIXIFHSA-N 2 0 214.353 0.981 20 0 BCADRP C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC000640380053 361189305 /nfs/dbraw/zinc/18/93/05/361189305.db2.gz VCFPNRMFMCRKNR-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP NCC(F)(F)CC(=O)NCCc1ncc[nH]1 ZINC000574998216 361222985 /nfs/dbraw/zinc/22/29/85/361222985.db2.gz NCBLJCNIRCSTCB-UHFFFAOYSA-N 2 0 232.234 0.053 20 0 BCADRP Cn1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1=O ZINC000613211245 361274300 /nfs/dbraw/zinc/27/43/00/361274300.db2.gz MMLCSCUXZWEEHN-RYUDHWBXSA-N 2 0 233.315 0.037 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C[NH2+]C1CC1 ZINC000579107035 366711775 /nfs/dbraw/zinc/71/17/75/366711775.db2.gz AQHIGPCPSQPERB-BXKDBHETSA-N 2 0 237.347 0.337 20 0 BCADRP Cc1ncc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)n1C ZINC000579130150 366720281 /nfs/dbraw/zinc/72/02/81/366720281.db2.gz NHQXLIUKUWFHON-KCJUWKMLSA-N 2 0 236.319 0.343 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000579142421 366724678 /nfs/dbraw/zinc/72/46/78/366724678.db2.gz NSXFAUSLADOSAG-ZJUUUORDSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[NH2+]C1 ZINC000428195255 201001283 /nfs/dbraw/zinc/00/12/83/201001283.db2.gz HNJAUJLZAJBEEV-AXFHLTTASA-N 2 0 225.336 0.337 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)C1CC[NH2+]CC1 ZINC000428313448 201008008 /nfs/dbraw/zinc/00/80/08/201008008.db2.gz QLNHBVQRZXBAHU-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CC(C)(O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000579241625 366743406 /nfs/dbraw/zinc/74/34/06/366743406.db2.gz XRURSMACUXSPMT-LLVKDONJSA-N 2 0 242.363 0.445 20 0 BCADRP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[NH2+]C1 ZINC000579226688 366738803 /nfs/dbraw/zinc/73/88/03/366738803.db2.gz BIQNAPSDDWCKDW-LLVKDONJSA-N 2 0 244.298 0.768 20 0 BCADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000622044848 370674083 /nfs/dbraw/zinc/67/40/83/370674083.db2.gz VCMAQNNVRNFUIK-IUCAKERBSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@@H](NCC[C@H](C)[NH3+])c1c[nH+]ccc1N ZINC000622044966 370674360 /nfs/dbraw/zinc/67/43/60/370674360.db2.gz YXDBVQKZFGSQQC-DTWKUNHWSA-N 2 0 208.309 0.882 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000622044921 370678091 /nfs/dbraw/zinc/67/80/91/370678091.db2.gz XXCZAWVZCTUSIH-IQJOONFLSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000622045352 370680208 /nfs/dbraw/zinc/68/02/08/370680208.db2.gz OVVPEEJCNPUURW-AXFHLTTASA-N 2 0 248.392 0.669 20 0 BCADRP CC[C@H](C(=O)NCCC[NH3+])[NH+](CC)CC ZINC000428491723 201026260 /nfs/dbraw/zinc/02/62/60/201026260.db2.gz ZJUWWOHJPQEFEL-SNVBAGLBSA-N 2 0 215.341 0.572 20 0 BCADRP CCC[N@H+](C)CC(=O)NC1CC[NH2+]CC1 ZINC000428731726 201038972 /nfs/dbraw/zinc/03/89/72/201038972.db2.gz MKKGFRRHWUTPGY-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000429112241 201068800 /nfs/dbraw/zinc/06/88/00/201068800.db2.gz ILDPTWLGRTYAMZ-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000428978121 201055067 /nfs/dbraw/zinc/05/50/67/201055067.db2.gz NLMLVSYQMKALSZ-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000429141567 201073209 /nfs/dbraw/zinc/07/32/09/201073209.db2.gz KOILLEFETFHLCS-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428975273 201056110 /nfs/dbraw/zinc/05/61/10/201056110.db2.gz HENVMAJQPWKKOZ-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H](C(=O)NCC[C@@H](C)[NH3+])[NH+](CC)CC ZINC000429035052 201061484 /nfs/dbraw/zinc/06/14/84/201061484.db2.gz LKLCPBWYWQTAHB-GHMZBOCLSA-N 2 0 229.368 0.960 20 0 BCADRP CC[C@H](C(=O)NC[C@@H]1CCC[NH2+]1)[NH+](CC)CC ZINC000429082174 201066018 /nfs/dbraw/zinc/06/60/18/201066018.db2.gz RHJBSFSLCIBXBM-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]([NH3+])C1)[NH+](CC)CC ZINC000429066478 201066646 /nfs/dbraw/zinc/06/66/46/201066646.db2.gz UMVOBXWRSIQFIK-WDEREUQCSA-N 2 0 227.352 0.666 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000429104436 201067594 /nfs/dbraw/zinc/06/75/94/201067594.db2.gz OULCBUMIQJMFGQ-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC000429095498 201068163 /nfs/dbraw/zinc/06/81/63/201068163.db2.gz MZWAELIKCMVDTD-LLVKDONJSA-N 2 0 229.368 0.833 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000429101011 201068424 /nfs/dbraw/zinc/06/84/24/201068424.db2.gz VWPIFNYVKCPJIQ-GRYCIOLGSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C[NH3+] ZINC000429192414 201077974 /nfs/dbraw/zinc/07/79/74/201077974.db2.gz QZNCKIZSBMUCOV-WISYIIOYSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000429195675 201077977 /nfs/dbraw/zinc/07/79/77/201077977.db2.gz XIYHKZAJXKWABN-GARJFASQSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)[C@H]1C[NH3+] ZINC000429192585 201078323 /nfs/dbraw/zinc/07/83/23/201078323.db2.gz IDRIARYGFTWIQV-MXWKQRLJSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000629539316 361404559 /nfs/dbraw/zinc/40/45/59/361404559.db2.gz PQGIZYIWDDNMBM-NSHDSACASA-N 3 0 215.341 0.084 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000429454394 201109096 /nfs/dbraw/zinc/10/90/96/201109096.db2.gz TXKZJABWEKOZMS-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C1(C[NH3+])CCCC1 ZINC000429481833 201109530 /nfs/dbraw/zinc/10/95/30/201109530.db2.gz QZENKTPXSJYULY-UHFFFAOYSA-N 2 0 241.379 0.949 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)NC(C)(C)CC[NH3+] ZINC000579341770 366761988 /nfs/dbraw/zinc/76/19/88/366761988.db2.gz QEFVCGVVIGMKQJ-UHFFFAOYSA-N 2 0 244.383 0.801 20 0 BCADRP CC(C)[C@H](C(=O)NCC[C@H]1CC[NH2+]C1)[C@H](C)[NH3+] ZINC000579351418 366765876 /nfs/dbraw/zinc/76/58/76/366765876.db2.gz MZSUIXNBTZOBHP-TUAOUCFPSA-N 2 0 241.379 0.722 20 0 BCADRP C[C@@H]1CC[C@H](N[C@H]2C[NH2+]CC[C@H]2C)C[NH2+]1 ZINC000629536173 361398938 /nfs/dbraw/zinc/39/89/38/361398938.db2.gz DWUZHMIKIUKVMY-WYUUTHIRSA-N 2 0 211.353 0.715 20 0 BCADRP COC[C@@H]([NH2+]CCOCCC[NH3+])C(C)C ZINC000629536974 361399761 /nfs/dbraw/zinc/39/97/61/361399761.db2.gz IGFCJGCKOVMGFM-LLVKDONJSA-N 2 0 218.341 0.612 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000429335031 201101014 /nfs/dbraw/zinc/10/10/14/201101014.db2.gz NTZVMZSLBVTCPC-WOPDTQHZSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H]([NH2+]CCOCCC[NH3+])[C@H]1CCOC1 ZINC000629538791 361403338 /nfs/dbraw/zinc/40/33/38/361403338.db2.gz NBUPKZPTQLGRGS-QWRGUYRKSA-N 2 0 216.325 0.366 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@H]1CCn2ccnc21 ZINC000629538391 361403951 /nfs/dbraw/zinc/40/39/51/361403951.db2.gz MLZPVBYLVRDJQS-JTQLQIEISA-N 2 0 224.308 0.283 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000429554770 201113948 /nfs/dbraw/zinc/11/39/48/201113948.db2.gz CGMVEMKBCXYAJZ-FOGDFJRCSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]2C[NH3+])C[NH2+]1 ZINC000629535638 361410195 /nfs/dbraw/zinc/41/01/95/361410195.db2.gz CSIMLFJHGOOOIN-NOOOWODRSA-N 2 0 211.353 0.844 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429556876 201114311 /nfs/dbraw/zinc/11/43/11/201114311.db2.gz ZEWMPQSUWCNWRK-OLZOCXBDSA-N 2 0 244.379 0.800 20 0 BCADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629543424 361410960 /nfs/dbraw/zinc/41/09/60/361410960.db2.gz BECVGFBLDWRCDW-FRRDWIJNSA-N 2 0 241.379 0.303 20 0 BCADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629543423 361411690 /nfs/dbraw/zinc/41/16/90/361411690.db2.gz BECVGFBLDWRCDW-AGIUHOORSA-N 2 0 241.379 0.303 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC([NH3+])(CC)CC ZINC000429661768 201124205 /nfs/dbraw/zinc/12/42/05/201124205.db2.gz XLBVKEAOATZDIS-UHFFFAOYSA-N 2 0 229.368 0.962 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629534602 361407388 /nfs/dbraw/zinc/40/73/88/361407388.db2.gz AHDGTHAIUCBEBD-ZJUUUORDSA-N 3 0 203.330 0.067 20 0 BCADRP CO[C@@H](C)[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629535604 361409727 /nfs/dbraw/zinc/40/97/27/361409727.db2.gz DVFUGTWILKADHD-ZJUUUORDSA-N 2 0 204.314 0.365 20 0 BCADRP CC[C@H](NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000629544597 361422863 /nfs/dbraw/zinc/42/28/63/361422863.db2.gz JNRCVCYLOYHUKT-AGIUHOORSA-N 2 0 241.379 0.173 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC1(C)CC[NH2+]CC1 ZINC000579475082 366822330 /nfs/dbraw/zinc/82/23/30/366822330.db2.gz IXTHELQBNZRDJM-SECBINFHSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629546177 361427416 /nfs/dbraw/zinc/42/74/16/361427416.db2.gz OXUHRYAHHXSKNE-UPJWGTAASA-N 2 0 241.379 0.031 20 0 BCADRP CCO[C@H](C[NH2+]C1(CO)CC[NH2+]CC1)C1CC1 ZINC000629546753 361429812 /nfs/dbraw/zinc/42/98/12/361429812.db2.gz PMDPUHIEEZETLG-GFCCVEGCSA-N 2 0 242.363 0.506 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000629548502 361432538 /nfs/dbraw/zinc/43/25/38/361432538.db2.gz ZVTKXPKQDDBMCB-ZBAXXZLZSA-N 2 0 239.363 0.093 20 0 BCADRP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CC[NH2+]C1 ZINC000629554681 361435138 /nfs/dbraw/zinc/43/51/38/361435138.db2.gz NDLIVJIMNJPYGU-CMPLNLGQSA-N 2 0 234.347 0.861 20 0 BCADRP C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)C1C[NH2+]C1 ZINC000629549162 361435204 /nfs/dbraw/zinc/43/52/04/361435204.db2.gz QUBXSNUNIWNRMR-AXTRIDKLSA-N 2 0 210.321 0.751 20 0 BCADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000629553586 361438399 /nfs/dbraw/zinc/43/83/99/361438399.db2.gz AKGZWHBZUBLEMQ-BNOWGMLFSA-N 2 0 233.359 0.896 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000629549441 361441501 /nfs/dbraw/zinc/44/15/01/361441501.db2.gz VOUPBQSBSPSVOK-WRWGMCAJSA-N 2 0 211.353 0.809 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629556388 361449641 /nfs/dbraw/zinc/44/96/41/361449641.db2.gz OXUHRYAHHXSKNE-AVGNSLFASA-N 2 0 241.379 0.031 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000629555559 361447725 /nfs/dbraw/zinc/44/77/25/361447725.db2.gz XALLFMOGKJNMIH-UTUOFQBUSA-N 2 0 230.352 0.755 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629555710 361448099 /nfs/dbraw/zinc/44/80/99/361448099.db2.gz BECVGFBLDWRCDW-YNEHKIRRSA-N 2 0 241.379 0.303 20 0 BCADRP Cc1nccnc1[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629541397 361416823 /nfs/dbraw/zinc/41/68/23/361416823.db2.gz ZNLZZNIYORLGHH-NSHDSACASA-N 2 0 238.335 0.801 20 0 BCADRP CC[C@H]([NH2+]CCOCCC[NH3+])[C@@H]1CCOC1 ZINC000629541895 361417598 /nfs/dbraw/zinc/41/75/98/361417598.db2.gz SUYRXTYXNSHZOF-NEPJUHHUSA-N 2 0 230.352 0.757 20 0 BCADRP Cc1n[nH]cc1[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629541924 361418537 /nfs/dbraw/zinc/41/85/37/361418537.db2.gz UEVYINQPFCTJRV-VIFPVBQESA-N 2 0 226.324 0.734 20 0 BCADRP C[C@H]([NH2+]CCOCCC[NH3+])C1CCOCC1 ZINC000629542314 361419695 /nfs/dbraw/zinc/41/96/95/361419695.db2.gz YCEZBQLSTUYOQN-NSHDSACASA-N 2 0 230.352 0.757 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)Cc1ccccn1 ZINC000629570126 361459636 /nfs/dbraw/zinc/45/96/36/361459636.db2.gz IIUFQXIPIOJQNN-UHFFFAOYSA-N 2 0 223.320 0.749 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)Cc1ccncc1 ZINC000629570463 361460225 /nfs/dbraw/zinc/46/02/25/361460225.db2.gz KWPKWSZGBRHVJN-UHFFFAOYSA-N 2 0 223.320 0.749 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CCCOC ZINC000629570460 361460621 /nfs/dbraw/zinc/46/06/21/361460621.db2.gz KTDUFSXQZPMJJE-UHFFFAOYSA-N 2 0 204.314 0.191 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000629571856 361463692 /nfs/dbraw/zinc/46/36/92/361463692.db2.gz KOFJLWJJSLUXGG-GFCCVEGCSA-N 3 0 229.368 0.154 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1C[C@H]1C ZINC000629572399 361463762 /nfs/dbraw/zinc/46/37/62/361463762.db2.gz RTSYVEXJZASIES-GHMZBOCLSA-N 2 0 200.326 0.810 20 0 BCADRP Cc1nccn1CCC[N@@H+](C)CCOCC[NH3+] ZINC000629576617 361466080 /nfs/dbraw/zinc/46/60/80/361466080.db2.gz AVWZWALHKVIUGH-UHFFFAOYSA-N 2 0 240.351 0.489 20 0 BCADRP CN(CCC[NH+]1CCCCC1)CCOCC[NH3+] ZINC000629576644 361466545 /nfs/dbraw/zinc/46/65/45/361466545.db2.gz BHELGXWZIDHKEB-UHFFFAOYSA-N 2 0 243.395 0.770 20 0 BCADRP C[NH2+]CCCN1CCO[C@H](CCF)C1 ZINC000629580984 361471542 /nfs/dbraw/zinc/47/15/42/361471542.db2.gz IOPUGFDZEGDKTO-SNVBAGLBSA-N 2 0 204.289 0.656 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C)[NH+](C)C ZINC000432510982 201162209 /nfs/dbraw/zinc/16/22/09/201162209.db2.gz BNSAPEQLJIOMHQ-GRYCIOLGSA-N 2 0 241.379 0.687 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000433179520 201162641 /nfs/dbraw/zinc/16/26/41/201162641.db2.gz YJUYTPCDQPHQHX-MXWKQRLJSA-N 2 0 227.352 0.426 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000433175564 201163139 /nfs/dbraw/zinc/16/31/39/201163139.db2.gz MEDYKFIAWMJRMG-DCAQKATOSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000433175565 201164615 /nfs/dbraw/zinc/16/46/15/201164615.db2.gz MEDYKFIAWMJRMG-GARJFASQSA-N 2 0 227.352 0.474 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]C)C1)[NH+](C)C ZINC000629612336 361498262 /nfs/dbraw/zinc/49/82/62/361498262.db2.gz CSKMZXNTKARYLD-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)[NH+](C)C ZINC000629612447 361498798 /nfs/dbraw/zinc/49/87/98/361498798.db2.gz CUTIGWUFOQZFSJ-GARJFASQSA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@@H](C(=O)N[C@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000629612823 361498853 /nfs/dbraw/zinc/49/88/53/361498853.db2.gz IJWMXDOBISQJJF-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@@H](C(=O)N(C)[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000629612499 361498888 /nfs/dbraw/zinc/49/88/88/361498888.db2.gz DLPULAFFFLUOKT-UWVGGRQHSA-N 2 0 213.325 0.147 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[NH+](C)C ZINC000629612450 361498998 /nfs/dbraw/zinc/49/89/98/361498998.db2.gz CUTIGWUFOQZFSJ-OUAUKWLOSA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@H](C[NH3+])C1)[NH+](C)C ZINC000629612464 361499202 /nfs/dbraw/zinc/49/92/02/361499202.db2.gz DCIKYSOAYMFIJY-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]C)C1)[NH+](C)C ZINC000629610672 361499883 /nfs/dbraw/zinc/49/98/83/361499883.db2.gz DUNWZHTXGJHJRT-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@@H](C(=O)NC1CC[NH2+]CC1)[NH+](C)C ZINC000629610495 361500037 /nfs/dbraw/zinc/50/00/37/361500037.db2.gz DUMFGTMPYXPWEX-JTQLQIEISA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@H](C(=O)N1CCC(C[NH3+])CC1)[NH+](C)C ZINC000629610973 361500075 /nfs/dbraw/zinc/50/00/75/361500075.db2.gz KOMYHQNEYMWRKU-LLVKDONJSA-N 2 0 227.352 0.524 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C ZINC000629610483 361500452 /nfs/dbraw/zinc/50/04/52/361500452.db2.gz DSCNYTZQSJGUEH-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP CC[C@H](C(=O)NCC[C@H](C)[NH3+])[NH+](C)C ZINC000629613013 361501067 /nfs/dbraw/zinc/50/10/67/361501067.db2.gz HOXSCYWRVKUMHC-DTWKUNHWSA-N 2 0 201.314 0.180 20 0 BCADRP CC[C@H](C(=O)NC[C@@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000629611736 361501392 /nfs/dbraw/zinc/50/13/92/361501392.db2.gz CXRHNIXTXZXWOW-YPMHNXCESA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@H](C(=O)NCC1=CC[NH2+]CC1)[NH+](C)C ZINC000629611928 361502679 /nfs/dbraw/zinc/50/26/79/361502679.db2.gz KKFLOODBJKQFLT-NSHDSACASA-N 2 0 225.336 0.363 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000629612035 361502817 /nfs/dbraw/zinc/50/28/17/361502817.db2.gz PPYGFXCBZMWBOP-WOPDTQHZSA-N 2 0 239.363 0.680 20 0 BCADRP CC[C@H](C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)[NH+](C)C ZINC000629612231 361502888 /nfs/dbraw/zinc/50/28/88/361502888.db2.gz YLXUINAYXMTUNS-GMTAPVOTSA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@H](C(=O)NCC(C)(C)[NH3+])[NH+](C)C ZINC000629614881 361504160 /nfs/dbraw/zinc/50/41/60/361504160.db2.gz PKHNGSWIDJVVSL-MRVPVSSYSA-N 2 0 201.314 0.180 20 0 BCADRP CC[C@H](C(=O)N[C@@H](CC[NH3+])C(F)F)[NH+](C)C ZINC000629613798 361508375 /nfs/dbraw/zinc/50/83/75/361508375.db2.gz SXBIZNJXPSTPRP-JGVFFNPUSA-N 2 0 237.294 0.425 20 0 BCADRP CC[C@@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000629614364 361509513 /nfs/dbraw/zinc/50/95/13/361509513.db2.gz HDDRQZYAROFELA-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@H](C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)[NH+](C)C ZINC000629614427 361509695 /nfs/dbraw/zinc/50/96/95/361509695.db2.gz JPNGBVUOYNPKPM-GARJFASQSA-N 2 0 227.352 0.535 20 0 BCADRP CC[C@@H](C(=O)N(C)CC(C)(C)[NH3+])[NH+](C)C ZINC000629614553 361509711 /nfs/dbraw/zinc/50/97/11/361509711.db2.gz HVPQOKGXJJUTDS-VIFPVBQESA-N 2 0 215.341 0.522 20 0 BCADRP CC[C@H](C(=O)N[C@@H](C)CC[NH3+])[NH+](C)C ZINC000629612265 361498046 /nfs/dbraw/zinc/49/80/46/361498046.db2.gz ZWBZDJPTFNZDSF-DTWKUNHWSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@H]1C[NH2+]C[C@@H](NCC2([NH3+])CCOCC2)C1 ZINC000629654609 361558173 /nfs/dbraw/zinc/55/81/73/361558173.db2.gz NFPXYPRYVOAYOS-MNOVXSKESA-N 2 0 227.352 0.082 20 0 BCADRP C[C@H]1C[NH2+]C[C@H](NCC2([NH3+])CCOCC2)C1 ZINC000629654608 361558705 /nfs/dbraw/zinc/55/87/05/361558705.db2.gz NFPXYPRYVOAYOS-GHMZBOCLSA-N 2 0 227.352 0.082 20 0 BCADRP CC(C)(C)[NH2+]CCNCC1([NH3+])CCOCC1 ZINC000629655124 361559995 /nfs/dbraw/zinc/55/99/95/361559995.db2.gz SALFETJDYFHFRZ-UHFFFAOYSA-N 2 0 229.368 0.472 20 0 BCADRP C1=C(CNC[C@H]2C[NH2+]CCCO2)COCC1 ZINC000629648694 361537892 /nfs/dbraw/zinc/53/78/92/361537892.db2.gz ACAMVFCTZJODOT-GFCCVEGCSA-N 2 0 226.320 0.301 20 0 BCADRP C[C@@H](C[C@@H]1CCC[NH2+]1)NCC1([NH3+])CCOCC1 ZINC000629655749 361560666 /nfs/dbraw/zinc/56/06/66/361560666.db2.gz YCPHYMAFWJIJCN-RYUDHWBXSA-N 2 0 241.379 0.615 20 0 BCADRP Cn1ccc(C[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000629648650 361542032 /nfs/dbraw/zinc/54/20/32/361542032.db2.gz YFJXITQWWJACNS-UHFFFAOYSA-N 2 0 222.336 0.020 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070578143 361570396 /nfs/dbraw/zinc/57/03/96/361570396.db2.gz PZZONAWMASKUIG-VOBJUBJWSA-N 2 0 239.363 0.890 20 0 BCADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]CC2CC2)n1 ZINC000629653080 361551331 /nfs/dbraw/zinc/55/13/31/361551331.db2.gz MNPFFOWCKMXNDV-UHFFFAOYSA-N 2 0 208.265 0.141 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)Cc1c(C)n[nH]c1C ZINC000629654040 361554092 /nfs/dbraw/zinc/55/40/92/361554092.db2.gz UGYBRBMHGPIGDK-UHFFFAOYSA-N 2 0 240.351 0.694 20 0 BCADRP CC[C@H](C)C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629654039 361554872 /nfs/dbraw/zinc/55/48/72/361554872.db2.gz UFNIXRXGGAOGDK-QMMMGPOBSA-N 2 0 224.308 0.777 20 0 BCADRP Cc1n[nH]cc1C[N@H+](C)CCOCC[NH3+] ZINC000629664021 361595731 /nfs/dbraw/zinc/59/57/31/361595731.db2.gz NVUXHLMSJKRLLD-UHFFFAOYSA-N 2 0 212.297 0.125 20 0 BCADRP COCC(C)(C)C[N@H+](C)CCOCC[NH3+] ZINC000629664206 361595906 /nfs/dbraw/zinc/59/59/06/361595906.db2.gz KEXPQMWPVZVBPS-UHFFFAOYSA-N 2 0 218.341 0.566 20 0 BCADRP COC[C@@H](C)C[NH2+]CCOCCC[NH3+] ZINC000629677821 361600682 /nfs/dbraw/zinc/60/06/82/361600682.db2.gz HNQUMDYASNHFRO-JTQLQIEISA-N 2 0 204.314 0.224 20 0 BCADRP CN(C)CC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434425783 201219184 /nfs/dbraw/zinc/21/91/84/201219184.db2.gz QRRZCHJTNBXOON-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@H](C)[NH2+]1 ZINC000153798541 201249075 /nfs/dbraw/zinc/24/90/75/201249075.db2.gz KVZSSWXBTSTQAQ-KXUCPTDWSA-N 2 0 227.352 0.569 20 0 BCADRP CC[N@H+](CCNC(=O)CC[C@@H](C)[NH3+])C(C)C ZINC000434693934 201234406 /nfs/dbraw/zinc/23/44/06/201234406.db2.gz IPNKMSHIIPNHGI-LLVKDONJSA-N 2 0 229.368 0.960 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000434682310 201235229 /nfs/dbraw/zinc/23/52/29/201235229.db2.gz VUJQZIQAQDETFM-JQWIXIFHSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000434706360 201237130 /nfs/dbraw/zinc/23/71/30/201237130.db2.gz JOGFRVJXMSFFLS-DMDPSCGWSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000051694783 181341820 /nfs/dbraw/zinc/34/18/20/181341820.db2.gz WKJVHFVOADFGPE-VQXHTEKXSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000195158009 361638992 /nfs/dbraw/zinc/63/89/92/361638992.db2.gz GKTJZADZFFNCFZ-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP O=C(C[NH2+]CC1CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435235691 201257235 /nfs/dbraw/zinc/25/72/35/201257235.db2.gz FRAFUWCBUVWXRD-GFCCVEGCSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435240152 201257327 /nfs/dbraw/zinc/25/73/27/201257327.db2.gz ZTCRQNMFHUMXKD-JQWIXIFHSA-N 2 0 237.347 0.481 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000051694782 181341160 /nfs/dbraw/zinc/34/11/60/181341160.db2.gz WKJVHFVOADFGPE-ILDUYXDCSA-N 2 0 225.336 0.515 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000051694724 181341716 /nfs/dbraw/zinc/34/17/16/181341716.db2.gz XHLDUSJLAXLNDV-RTBKNWGFSA-N 2 0 211.309 0.125 20 0 BCADRP C[NH2+]CCn1cc(C2=CC[NH2+]CC2)cn1 ZINC000629723237 361664568 /nfs/dbraw/zinc/66/45/68/361664568.db2.gz LBHWQAHUFGSIKW-UHFFFAOYSA-N 2 0 206.293 0.479 20 0 BCADRP [NH3+]CCCn1cc(C2=CC[NH2+]CC2)cn1 ZINC000629723872 361665552 /nfs/dbraw/zinc/66/55/52/361665552.db2.gz SQXLGMUJVWYWJD-UHFFFAOYSA-N 2 0 206.293 0.609 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000435872157 201291999 /nfs/dbraw/zinc/29/19/99/201291999.db2.gz WVUCDERKHHIRJF-LLVKDONJSA-N 2 0 227.352 0.573 20 0 BCADRP C[NH2+]CCC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000435878742 201292252 /nfs/dbraw/zinc/29/22/52/201292252.db2.gz FROFKINDPQJYTN-CYBMUJFWSA-N 2 0 241.379 0.250 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435905478 201297279 /nfs/dbraw/zinc/29/72/79/201297279.db2.gz BAEOSCBNEHGGDK-NQBHXWOUSA-N 2 0 239.363 0.348 20 0 BCADRP C[NH2+]CCC[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000435872723 201292982 /nfs/dbraw/zinc/29/29/82/201292982.db2.gz QJEXQJYGPQZYSQ-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP C[NH2+]CCC[NH+]1CCC(OCCOC)CC1 ZINC000435885537 201294510 /nfs/dbraw/zinc/29/45/10/201294510.db2.gz LGIPIHKRXNJOLP-UHFFFAOYSA-N 2 0 230.352 0.723 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(CCC[NH2+]C)C1 ZINC000435882898 201295246 /nfs/dbraw/zinc/29/52/46/201295246.db2.gz VYTSKGHKHRYJDJ-LBPRGKRZSA-N 2 0 213.369 0.870 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000579482920 366827782 /nfs/dbraw/zinc/82/77/82/366827782.db2.gz KCYMSUUWPPUYEL-AXFHLTTASA-N 2 0 232.393 0.783 20 0 BCADRP COCC[N@H+](C)CCC[NH2+]CC[C@@H]1CCOC1 ZINC000438087785 201387763 /nfs/dbraw/zinc/38/77/63/201387763.db2.gz MRMKURMZYKKBMS-CYBMUJFWSA-N 2 0 244.379 0.971 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627244495 363847522 /nfs/dbraw/zinc/84/75/22/363847522.db2.gz ANRONRFFTQQWIJ-UKKRHICBSA-N 2 0 240.351 0.116 20 0 BCADRP [NH3+]CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000364182653 181350689 /nfs/dbraw/zinc/35/06/89/181350689.db2.gz NKRBDNRILTUOIE-WDEREUQCSA-N 2 0 237.278 0.038 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC(C)(C)C[NH+](C)C ZINC000627245433 363850982 /nfs/dbraw/zinc/85/09/82/363850982.db2.gz GQHSRHBHFZHGSM-VHSXEESVSA-N 2 0 242.367 0.376 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627251446 363872924 /nfs/dbraw/zinc/87/29/24/363872924.db2.gz LCSALVYNLTUJQJ-MNOVXSKESA-N 2 0 240.351 0.084 20 0 BCADRP [NH3+]CC(=O)NCC[NH2+]C1CCCCCC1 ZINC000237968431 181351189 /nfs/dbraw/zinc/35/11/89/181351189.db2.gz BBFSKPVKHSRQOV-UHFFFAOYSA-N 2 0 213.325 0.374 20 0 BCADRP C[NH+]1CCC(CNC(=O)CC2([NH3+])CCC2)CC1 ZINC000094295238 487527747 /nfs/dbraw/zinc/52/77/47/487527747.db2.gz SKSYKKRUEWPMDJ-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653111936 541310529 /nfs/dbraw/zinc/31/05/29/541310529.db2.gz HBLHHICKVRLEQO-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000432519483 192948511 /nfs/dbraw/zinc/94/85/11/192948511.db2.gz OAAXZDWHKUGDAF-WDEREUQCSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C)C1 ZINC000170757648 364167942 /nfs/dbraw/zinc/16/79/42/364167942.db2.gz MXYQMHCLGKTFNW-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000068064429 370735278 /nfs/dbraw/zinc/73/52/78/370735278.db2.gz HTHNFAMSYFZNGB-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[NH+](C)CCc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630604569 364328950 /nfs/dbraw/zinc/32/89/50/364328950.db2.gz BKMVEVLVKSJESN-SNVBAGLBSA-N 2 0 223.324 0.134 20 0 BCADRP CCC[C@@H]([NH3+])c1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC000630616973 364354784 /nfs/dbraw/zinc/35/47/84/364354784.db2.gz PCNDACOSXPKWEL-NXEZZACHSA-N 2 0 239.323 0.066 20 0 BCADRP [NH3+]Cc1ccc(-c2cn(CC3C[NH2+]C3)nn2)cc1 ZINC000630614289 364346059 /nfs/dbraw/zinc/34/60/59/364346059.db2.gz UYDJCCIJOHZHAG-UHFFFAOYSA-N 2 0 243.314 0.623 20 0 BCADRP [NH3+]CC1CCC([NH2+][C@@H]2CCCNC2)CC1 ZINC000333190981 181363916 /nfs/dbraw/zinc/36/39/16/181363916.db2.gz UZIBMISSSIRYFD-HTAVTVPLSA-N 2 0 211.353 0.846 20 0 BCADRP [NH3+]CC1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000336298304 181365495 /nfs/dbraw/zinc/36/54/95/181365495.db2.gz GMFKHLCPWONUSY-GFCCVEGCSA-N 2 0 237.347 0.420 20 0 BCADRP [NH3+]CCC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973478 181366245 /nfs/dbraw/zinc/36/62/45/181366245.db2.gz ORHDYLGGZZQCSW-NSHDSACASA-N 2 0 225.336 0.422 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000366635986 181366276 /nfs/dbraw/zinc/36/62/76/181366276.db2.gz YSXZDXMJLNGISB-WDEREUQCSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]CCC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000368703411 181366308 /nfs/dbraw/zinc/36/63/08/181366308.db2.gz GOFGKYPYPXTHCZ-UHFFFAOYSA-N 2 0 225.336 0.327 20 0 BCADRP [NH3+]CCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000237850335 181366954 /nfs/dbraw/zinc/36/69/54/181366954.db2.gz LGJWLVJECCNQPX-LLVKDONJSA-N 2 0 225.336 0.280 20 0 BCADRP C[N@@H+]1CCN(C[C@H]2CC[NH2+]C2)CC1(C)C ZINC000250806470 364659575 /nfs/dbraw/zinc/65/95/75/364659575.db2.gz RMIBTMJFYUEESC-NSHDSACASA-N 2 0 211.353 0.622 20 0 BCADRP CC(C)([NH3+])c1noc(CN2CCC[C@@H]([NH3+])C2)n1 ZINC000566070975 364713382 /nfs/dbraw/zinc/71/33/82/364713382.db2.gz CRCUMUJZBAZNMW-MRVPVSSYSA-N 2 0 239.323 0.187 20 0 BCADRP CC(C)[C@H](C(=O)N(C)[C@H]1CC[NH2+]C1)[C@H](C)[NH3+] ZINC000573316534 364796654 /nfs/dbraw/zinc/79/66/54/364796654.db2.gz QIHXYQMHTNCYQZ-DCAQKATOSA-N 2 0 227.352 0.426 20 0 BCADRP [NH3+]CCCC(=O)NCC1([NH3+])CCCCCC1 ZINC000370713514 181371083 /nfs/dbraw/zinc/37/10/83/181371083.db2.gz RNROTMNPNVUTDV-UHFFFAOYSA-N 2 0 227.352 0.893 20 0 BCADRP [NH3+]CCCC(=O)NCCC[NH+]1CCCC1 ZINC000037467327 181371086 /nfs/dbraw/zinc/37/10/86/181371086.db2.gz YYLCYZFOLXJQSS-UHFFFAOYSA-N 2 0 213.325 0.327 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CC[NH2+]C1CC1 ZINC000573505720 364850906 /nfs/dbraw/zinc/85/09/06/364850906.db2.gz LRKACBWOQBBDQR-GFCCVEGCSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH3+] ZINC000573368580 364812042 /nfs/dbraw/zinc/81/20/42/364812042.db2.gz NPVFCLNWHTZWQU-NSHDSACASA-N 2 0 227.352 0.666 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)C[NH+](C)C)CC1 ZINC000167995546 364830680 /nfs/dbraw/zinc/83/06/80/364830680.db2.gz CVEZAKSUQWNGNV-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP CC[C@@H]([NH3+])C(=O)Nc1c[nH+]ccc1-n1ccnc1 ZINC000573449288 364836640 /nfs/dbraw/zinc/83/66/40/364836640.db2.gz PUSCJIKTVCQUPC-SECBINFHSA-N 2 0 245.286 0.943 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCC([NH2+]CC2CC2)CC1 ZINC000573486226 364844521 /nfs/dbraw/zinc/84/45/21/364844521.db2.gz FXHGPTYJCUNFQE-GFCCVEGCSA-N 2 0 237.347 0.339 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000573488002 364845678 /nfs/dbraw/zinc/84/56/78/364845678.db2.gz MCPMLMIFBOKFJX-WEDXCCLWSA-N 2 0 201.314 0.356 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000573605896 364872558 /nfs/dbraw/zinc/87/25/58/364872558.db2.gz NROTVJWGRBJUCX-GHMZBOCLSA-N 2 0 227.352 0.429 20 0 BCADRP [NH3+]CCCC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000368111600 181371479 /nfs/dbraw/zinc/37/14/79/181371479.db2.gz IFBYDKXRSWQJSG-GFCCVEGCSA-N 2 0 239.363 0.573 20 0 BCADRP [NH3+]CCCC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000019688027 181371518 /nfs/dbraw/zinc/37/15/18/181371518.db2.gz NIRPKOSZWFUIIN-UHFFFAOYSA-N 2 0 239.363 0.812 20 0 BCADRP [NH3+]CCCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000037812626 181371821 /nfs/dbraw/zinc/37/18/21/181371821.db2.gz XNYJLDFKTGFSTE-JTQLQIEISA-N 2 0 211.309 0.032 20 0 BCADRP [NH3+]CCCC(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000372776504 181371825 /nfs/dbraw/zinc/37/18/25/181371825.db2.gz OEMRVTATIUHWEP-ZYHUDNBSSA-N 2 0 225.336 0.455 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000573799866 364918339 /nfs/dbraw/zinc/91/83/39/364918339.db2.gz HACWAYOPIZKIFP-NXEZZACHSA-N 2 0 230.356 0.411 20 0 BCADRP [NH3+]CCCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000037023861 181372821 /nfs/dbraw/zinc/37/28/21/181372821.db2.gz QWEZVVVHHNEXEP-QWRGUYRKSA-N 2 0 225.336 0.468 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000573846205 364929723 /nfs/dbraw/zinc/92/97/23/364929723.db2.gz AJLSPMLCBLPMGX-GARJFASQSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000573846206 364929819 /nfs/dbraw/zinc/92/98/19/364929819.db2.gz AJLSPMLCBLPMGX-MXWKQRLJSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000573862042 364934419 /nfs/dbraw/zinc/93/44/19/364934419.db2.gz CAFJLQOAXKPNJN-OUAUKWLOSA-N 2 0 248.392 0.669 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)CCCC[NH3+])C1CC1 ZINC000573918601 364945407 /nfs/dbraw/zinc/94/54/07/364945407.db2.gz UOLKHUYDDSWGJR-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+]CCCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000226826942 181377933 /nfs/dbraw/zinc/37/79/33/181377933.db2.gz DROPERGIBNIZCW-WOPDTQHZSA-N 2 0 239.363 0.762 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000669511996 541422136 /nfs/dbraw/zinc/42/21/36/541422136.db2.gz RBGHGWBIBHVASG-GFCCVEGCSA-N 2 0 235.331 0.536 20 0 BCADRP CC(C)C(=O)NCCN(C)C[C@H](C)[NH3+] ZINC000574084033 364984021 /nfs/dbraw/zinc/98/40/21/364984021.db2.gz MTUXUEMNWHROOA-VIFPVBQESA-N 2 0 201.314 0.038 20 0 BCADRP C[NH2+][C@H](C)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000574172775 365003765 /nfs/dbraw/zinc/00/37/65/365003765.db2.gz WAQIBYQTTWXAHI-UTLUCORTSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+]CCNC(=O)c1ccccc1C[NH+](C)C ZINC000574204476 365009301 /nfs/dbraw/zinc/00/93/01/365009301.db2.gz HYGCVQDZZFEUBL-UHFFFAOYSA-N 2 0 235.331 0.697 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000226826796 181382321 /nfs/dbraw/zinc/38/23/21/181382321.db2.gz JGWLQEKUGGQHRC-VWYCJHECSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000062031708 181391361 /nfs/dbraw/zinc/39/13/61/181391361.db2.gz XHQANNDBRNTHAI-UHFFFAOYSA-N 2 0 211.353 0.753 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000574311954 365035242 /nfs/dbraw/zinc/03/52/42/365035242.db2.gz JNESIQAALZLLOA-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000574311951 365035336 /nfs/dbraw/zinc/03/53/36/365035336.db2.gz JNESIQAALZLLOA-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP O=C(C1CC[NH2+]CC1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000574325728 365037615 /nfs/dbraw/zinc/03/76/15/365037615.db2.gz FRJDOWNBENZYBO-LBPRGKRZSA-N 2 0 237.347 0.339 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](C[NH3+])C(C)C ZINC000433129559 192985181 /nfs/dbraw/zinc/98/51/81/192985181.db2.gz NZZUCIXVELFGTC-QWRGUYRKSA-N 2 0 229.368 0.851 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000574568999 365092132 /nfs/dbraw/zinc/09/21/32/365092132.db2.gz ITAFDBMQOXFGQS-LBPRGKRZSA-N 2 0 239.363 0.396 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](C)CC1(C)C ZINC000574581708 365095929 /nfs/dbraw/zinc/09/59/29/365095929.db2.gz PLKASUYELFGZOM-GFCCVEGCSA-N 2 0 243.395 0.325 20 0 BCADRP CC(C)([NH3+])CNC(=O)c1ccnc(C[NH3+])c1 ZINC000574756273 365136873 /nfs/dbraw/zinc/13/68/73/365136873.db2.gz VGNHWVSDOYZXEW-UHFFFAOYSA-N 2 0 222.292 0.007 20 0 BCADRP CC[NH+](CC)CCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000554219147 325710338 /nfs/dbraw/zinc/71/03/38/325710338.db2.gz AWCHVLTXLHIVKD-NSHDSACASA-N 2 0 244.383 0.578 20 0 BCADRP [NH3+]CCOCCN1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000357079042 181399567 /nfs/dbraw/zinc/39/95/67/181399567.db2.gz CINDXXVGUIYAJI-KGLIPLIRSA-N 3 0 249.358 0.388 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000574690954 365122103 /nfs/dbraw/zinc/12/21/03/365122103.db2.gz PXTAJSHUDUOMEL-GRYCIOLGSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@@H]([NH3+])c1ccc(C(=O)N(C)CC[NH3+])cc1 ZINC000574691205 365122933 /nfs/dbraw/zinc/12/29/33/365122933.db2.gz VQWSMXJDDHDDTQ-SECBINFHSA-N 2 0 221.304 0.737 20 0 BCADRP [NH3+]CCCCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000575058741 365180163 /nfs/dbraw/zinc/18/01/63/365180163.db2.gz SFCCZPHLWQQLSB-LLVKDONJSA-N 2 0 227.352 0.621 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@H]1CC[NH2+]1)C1CCCCC1 ZINC000444149615 193037687 /nfs/dbraw/zinc/03/76/87/193037687.db2.gz FNYXKSLWNCFJCD-MNOVXSKESA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+](C)C ZINC000443391989 193019540 /nfs/dbraw/zinc/01/95/40/193019540.db2.gz XBLOMLSBERYDSB-PHIMTYICSA-N 2 0 227.352 0.537 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])[NH+](C)C ZINC000157751427 193023296 /nfs/dbraw/zinc/02/32/96/193023296.db2.gz BVHONIOSPQITJS-UTUOFQBUSA-N 2 0 241.379 0.816 20 0 BCADRP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000575198652 365240551 /nfs/dbraw/zinc/24/05/51/365240551.db2.gz SAVGMAOLCZUZBI-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444164618 193038814 /nfs/dbraw/zinc/03/88/14/193038814.db2.gz GDGSOMRTVARXLM-WCQYABFASA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H](CNC(=O)c1coc(C[NH3+])c1)[NH+](C)C ZINC000444183665 193039184 /nfs/dbraw/zinc/03/91/84/193039184.db2.gz OKUGFCWCNIRTSW-MRVPVSSYSA-N 2 0 225.292 0.418 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC000444180241 193039377 /nfs/dbraw/zinc/03/93/77/193039377.db2.gz HENHVTASWFKRPQ-MDZLAQPJSA-N 2 0 237.347 0.054 20 0 BCADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000444166016 193039532 /nfs/dbraw/zinc/03/95/32/193039532.db2.gz AUOCLZPORVFSPF-GARJFASQSA-N 2 0 223.320 0.043 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)c1coc(C[NH3+])c1 ZINC000444171538 193039949 /nfs/dbraw/zinc/03/99/49/193039949.db2.gz WQGOZHMOYYSQFD-UHFFFAOYSA-N 2 0 239.319 0.808 20 0 BCADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444183515 193040302 /nfs/dbraw/zinc/04/03/02/193040302.db2.gz NNLWTDPFCFBRDT-IJLUTSLNSA-N 2 0 239.363 0.727 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000444180444 193040590 /nfs/dbraw/zinc/04/05/90/193040590.db2.gz HENHVTASWFKRPQ-WZRBSPASSA-N 2 0 237.347 0.054 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)c1coc(C[NH3+])c1 ZINC000444188150 193040783 /nfs/dbraw/zinc/04/07/83/193040783.db2.gz KWYSITVMOPBUOV-JTQLQIEISA-N 2 0 237.303 0.562 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[NH2+]1)[N@@H+]1CCC[C@H](C)C1 ZINC000444191665 193040887 /nfs/dbraw/zinc/04/08/87/193040887.db2.gz XVFYDXGVKXAUFX-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]C1(C(=O)NCC[C@H]2CCC[NH2+]2)CCCCC1 ZINC000444262143 193042006 /nfs/dbraw/zinc/04/20/06/193042006.db2.gz JEVDZFXCMWGBHZ-LLVKDONJSA-N 2 0 239.363 0.906 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444260750 193042754 /nfs/dbraw/zinc/04/27/54/193042754.db2.gz BQTWQQDKKRQDHH-PWSUYJOCSA-N 2 0 227.352 0.762 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH2+]2)[C@H](C)C1 ZINC000444266323 193043453 /nfs/dbraw/zinc/04/34/53/193043453.db2.gz DIBKBRWGGPKJFU-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH2+]2)C[C@H]1C ZINC000444274057 193043579 /nfs/dbraw/zinc/04/35/79/193043579.db2.gz WYRNVDRZXWGVRK-IJLUTSLNSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H]1C[C@@H](N(C)C(=O)[C@H]2CC[NH2+]2)CC[N@@H+]1C ZINC000444269715 193043859 /nfs/dbraw/zinc/04/38/59/193043859.db2.gz MAGMWZFKCRNAIG-GARJFASQSA-N 2 0 225.336 0.289 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]2)C[N@@H+]1C1CC1 ZINC000444272484 193043879 /nfs/dbraw/zinc/04/38/79/193043879.db2.gz XKAHCUHZQKEFRT-ATZCPNFKSA-N 2 0 223.320 0.090 20 0 BCADRP CC[NH+](CC)CCCN(C)CC(=O)NC1CC1 ZINC000171931241 365254497 /nfs/dbraw/zinc/25/44/97/365254497.db2.gz FKQNEDLLJPUTFB-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP CCCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000192086650 365273600 /nfs/dbraw/zinc/27/36/00/365273600.db2.gz LCEWJMNYBRCRRI-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP O=C(CC[NH2+]C1CC1)NCC[C@@H]1CC[NH2+]C1 ZINC000575328941 365292388 /nfs/dbraw/zinc/29/23/88/365292388.db2.gz APVUJGMXJAYTRR-JTQLQIEISA-N 2 0 225.336 0.244 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000575354440 365299797 /nfs/dbraw/zinc/29/97/97/365299797.db2.gz QJFZSACOUCTGJX-GMTAPVOTSA-N 2 0 227.352 0.605 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000575745955 365349492 /nfs/dbraw/zinc/34/94/92/365349492.db2.gz OKYOSJFKRGRNIU-RYUDHWBXSA-N 2 0 241.379 0.738 20 0 BCADRP CC[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000336682703 365350902 /nfs/dbraw/zinc/35/09/02/365350902.db2.gz FBYFLPYXULXZRL-ZDUSSCGKSA-N 2 0 241.379 0.079 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C(C)(C)C[NH3+] ZINC000379895948 365340222 /nfs/dbraw/zinc/34/02/22/365340222.db2.gz CLVINKRPADPZND-QMMMGPOBSA-N 2 0 201.314 0.071 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000575921642 365414755 /nfs/dbraw/zinc/41/47/55/365414755.db2.gz GNFSNRMLGWCUJL-GMTAPVOTSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H](CN1CCOCC1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000575923539 365415222 /nfs/dbraw/zinc/41/52/22/365415222.db2.gz VLZIKTJCOHZRKN-OLZOCXBDSA-N 2 0 241.379 0.378 20 0 BCADRP C[C@H](CN1CCOCC1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000575923538 365415278 /nfs/dbraw/zinc/41/52/78/365415278.db2.gz VLZIKTJCOHZRKN-CHWSQXEVSA-N 2 0 241.379 0.378 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000575923851 365416179 /nfs/dbraw/zinc/41/61/79/365416179.db2.gz NNLHJLDZCQHOGT-DCAQKATOSA-N 2 0 225.336 0.276 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@H]1CF ZINC000575879067 365403405 /nfs/dbraw/zinc/40/34/05/365403405.db2.gz IDSHXXIXMXFUDF-WDEREUQCSA-N 2 0 218.316 0.733 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000575804632 365369888 /nfs/dbraw/zinc/36/98/88/365369888.db2.gz WFXBFMQLKWXRRB-IUCAKERBSA-N 2 0 201.314 0.228 20 0 BCADRP C[C@@H](NC(=O)C(C)(C)C[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000576028939 365455112 /nfs/dbraw/zinc/45/51/12/365455112.db2.gz FIYLGLVZOOUHAA-NXEZZACHSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)CC[C@H](C)[NH3+] ZINC000576109051 365489650 /nfs/dbraw/zinc/48/96/50/365489650.db2.gz JRRPSNPJKBZOFP-YIZRAAEISA-N 2 0 201.314 0.356 20 0 BCADRP CC(C)([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000576158750 365502718 /nfs/dbraw/zinc/50/27/18/365502718.db2.gz YELOQAXMLKIRKE-UHFFFAOYSA-N 2 0 249.314 0.844 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000579607614 366905280 /nfs/dbraw/zinc/90/52/80/366905280.db2.gz HEJJKKAMYXUJPR-UTUOFQBUSA-N 2 0 211.353 0.798 20 0 BCADRP CCc1nn(C)cc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000194535703 541513123 /nfs/dbraw/zinc/51/31/23/541513123.db2.gz OYRHOGSQZBDGPM-TXEJJXNPSA-N 2 0 248.374 0.976 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCCC[NH2+]C1CC1 ZINC000579714090 366989242 /nfs/dbraw/zinc/98/92/42/366989242.db2.gz VFYDRVVTPHLJRC-VIFPVBQESA-N 2 0 225.336 0.385 20 0 BCADRP CC(C)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000579853029 367052042 /nfs/dbraw/zinc/05/20/42/367052042.db2.gz ABIUYGZFXROWPX-WDEREUQCSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)CCC[NH3+] ZINC000380158411 367146189 /nfs/dbraw/zinc/14/61/89/367146189.db2.gz ZWMJKXXBBKWMKK-SECBINFHSA-N 2 0 201.314 0.359 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000580726685 367150803 /nfs/dbraw/zinc/15/08/03/367150803.db2.gz ZTTZAMPYQVXOFH-NEPJUHHUSA-N 2 0 241.379 0.973 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000580726688 367150847 /nfs/dbraw/zinc/15/08/47/367150847.db2.gz ZTTZAMPYQVXOFH-VXGBXAGGSA-N 2 0 241.379 0.973 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)NC[C@@H](C)C[NH3+] ZINC000580764014 367159297 /nfs/dbraw/zinc/15/92/97/367159297.db2.gz ATCMEXCVHDOLRD-JTQLQIEISA-N 2 0 230.356 0.269 20 0 BCADRP C[NH+](C)CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000580892527 367198649 /nfs/dbraw/zinc/19/86/49/367198649.db2.gz LGWNYFOEBPIVPU-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)CCC[NH3+] ZINC000580892220 367198782 /nfs/dbraw/zinc/19/87/82/367198782.db2.gz HGCFSMLVCKTKDC-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)CC[C@H]1[NH3+] ZINC000580891974 367199379 /nfs/dbraw/zinc/19/93/79/367199379.db2.gz VDSYBHCJLMUEEQ-FBIMIBRVSA-N 2 0 225.336 0.310 20 0 BCADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]CCC(N)=O)C1 ZINC000581126898 367270093 /nfs/dbraw/zinc/27/00/93/367270093.db2.gz FXEXJDRHGOEKIZ-LBPRGKRZSA-N 2 0 241.379 0.819 20 0 BCADRP O=C(N1CCC[C@@]2(CC[NH2+]C2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000581012127 367235611 /nfs/dbraw/zinc/23/56/11/367235611.db2.gz BMLOECDEHWXYRF-XBFCOCLRSA-N 2 0 249.358 0.341 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)C2([NH3+])CCC2)C1 ZINC000581071194 367252633 /nfs/dbraw/zinc/25/26/33/367252633.db2.gz MOKDMJBHPPTXBV-VIFPVBQESA-N 2 0 211.309 0.065 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N(C)C1CC([NH3+])C1 ZINC000581308799 367336677 /nfs/dbraw/zinc/33/66/77/367336677.db2.gz GXXXSYGNPUSKJU-XHHQTKHESA-N 2 0 228.340 0.243 20 0 BCADRP FC(F)[C@@H]1C[NH2+]CCN1CC[C@H]1CC[NH2+]C1 ZINC000581311180 367339219 /nfs/dbraw/zinc/33/92/19/367339219.db2.gz MAJWEXBSXPUUJV-ZJUUUORDSA-N 2 0 233.306 0.525 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[C@@H](O)[C@@H](C)C1 ZINC000381084338 367348208 /nfs/dbraw/zinc/34/82/08/367348208.db2.gz SIJGZIDUHOKPNS-SDDRHHMPSA-N 2 0 230.352 0.002 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000581250581 367308891 /nfs/dbraw/zinc/30/88/91/367308891.db2.gz QGVVLFNKJIEBFS-VHSXEESVSA-N 2 0 213.325 0.372 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000581251916 367309511 /nfs/dbraw/zinc/30/95/11/367309511.db2.gz FMLJVTNUXOZILC-NGZCFLSTSA-N 2 0 223.320 0.077 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000381322334 367381572 /nfs/dbraw/zinc/38/15/72/367381572.db2.gz PIMZWHPCSFCPEI-UWVGGRQHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000381354462 367386693 /nfs/dbraw/zinc/38/66/93/367386693.db2.gz CLGBUYFRONGRME-DTWKUNHWSA-N 2 0 213.325 0.310 20 0 BCADRP CC1(C)CC[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000565298496 325892581 /nfs/dbraw/zinc/89/25/81/325892581.db2.gz UWJGVYUOJOYJOS-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000381381838 367392008 /nfs/dbraw/zinc/39/20/08/367392008.db2.gz LNUKWXNQIOQRDQ-MGCOHNPYSA-N 2 0 213.325 0.087 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CCCC[NH3+] ZINC000381444443 367404655 /nfs/dbraw/zinc/40/46/55/367404655.db2.gz AQOBVCPPZCGELF-LLVKDONJSA-N 2 0 215.341 0.605 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H](C)C[NH3+] ZINC000381452700 367407170 /nfs/dbraw/zinc/40/71/70/367407170.db2.gz IBBAZHDRLQLJFK-BBBLOLIVSA-N 2 0 213.325 0.310 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000381494934 367419042 /nfs/dbraw/zinc/41/90/42/367419042.db2.gz BMEPKARAOJWLDY-IVZWLZJFSA-N 2 0 213.325 0.084 20 0 BCADRP C[NH2+]CC(=O)Nc1ccccc1C[NH2+]C ZINC000381510147 367422040 /nfs/dbraw/zinc/42/20/40/367422040.db2.gz VTNSHLWZMOEGEX-UHFFFAOYSA-N 2 0 207.277 0.564 20 0 BCADRP C[C@H](C[NH3+])NC(=O)CCC1CC[NH2+]CC1 ZINC000381521767 367424713 /nfs/dbraw/zinc/42/47/13/367424713.db2.gz YEQMFVBCXPFYHV-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000381225913 367368133 /nfs/dbraw/zinc/36/81/33/367368133.db2.gz JVJHZBMVKCDQIB-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH3+])CN1CCC([NH2+]CC2CC2)CC1 ZINC000381244394 367369905 /nfs/dbraw/zinc/36/99/05/367369905.db2.gz NWZFIQRULLGIDR-JTQLQIEISA-N 2 0 211.353 0.798 20 0 BCADRP C[C@H]([NH3+])CCc1nc(C2([NH3+])CCC2)no1 ZINC000381273119 367373685 /nfs/dbraw/zinc/37/36/85/367373685.db2.gz WCWRCOYAYSEEFP-ZETCQYMHSA-N 2 0 210.281 0.687 20 0 BCADRP CCN1CC[C@H]([NH2+]CC2(O)CCOCC2)C1 ZINC000381986736 367475513 /nfs/dbraw/zinc/47/55/13/367475513.db2.gz GPUWEKCSOBZWCJ-NSHDSACASA-N 2 0 228.336 0.212 20 0 BCADRP C[NH2+]CCCC(=O)NC(C)(C)CCC[NH3+] ZINC000382158370 367492122 /nfs/dbraw/zinc/49/21/22/367492122.db2.gz RWLWBAZWUHXAQO-UHFFFAOYSA-N 2 0 215.341 0.620 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000381719302 367450660 /nfs/dbraw/zinc/45/06/60/367450660.db2.gz LPLSZOFANWJADE-SDDRHHMPSA-N 2 0 211.353 0.655 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000382547444 367535981 /nfs/dbraw/zinc/53/59/81/367535981.db2.gz GHFLPXKSNIVANU-IJLUTSLNSA-N 2 0 230.352 0.491 20 0 BCADRP Nc1ncnc(N2CCC[NH2+]CC2)c1Cl ZINC000581538786 367558177 /nfs/dbraw/zinc/55/81/77/367558177.db2.gz LMMWDCXJAOJVJF-UHFFFAOYSA-N 2 0 227.699 0.512 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000581483493 367514888 /nfs/dbraw/zinc/51/48/88/367514888.db2.gz QFVFQCIBOAOGTQ-NHCYSSNCSA-N 2 0 225.336 0.324 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000382974681 367577137 /nfs/dbraw/zinc/57/71/37/367577137.db2.gz SEAIPOPLFGQNEC-PWSUYJOCSA-N 2 0 239.363 0.727 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000383301359 367612627 /nfs/dbraw/zinc/61/26/27/367612627.db2.gz HQKMKFLNNHYSPR-PWSUYJOCSA-N 2 0 239.363 0.727 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H](C)[NH2+]C1CC1)C1CC1 ZINC000383329795 367613592 /nfs/dbraw/zinc/61/35/92/367613592.db2.gz KAEHSKZKHJRCNP-SNVBAGLBSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H](CNC(=O)[C@H](C)[NH2+]C1CC1)[NH+](C)C ZINC000383359386 367617010 /nfs/dbraw/zinc/61/70/10/367617010.db2.gz MZMAQVXOTYVYIU-IUCAKERBSA-N 2 0 213.325 0.193 20 0 BCADRP NC(=O)CC[NH2+]CCCCC[NH+]1CCCC1 ZINC000581662510 367662546 /nfs/dbraw/zinc/66/25/46/367662546.db2.gz MHCWSWFXJOKKDY-UHFFFAOYSA-N 2 0 227.352 0.718 20 0 BCADRP CC[C@H](O)C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000566063655 325989353 /nfs/dbraw/zinc/98/93/53/325989353.db2.gz GJXZVRBKMQLRSP-OLZOCXBDSA-N 2 0 243.395 0.230 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000581665747 367666005 /nfs/dbraw/zinc/66/60/05/367666005.db2.gz FEARBOWUHPQWOC-UKKRHICBSA-N 2 0 242.367 0.504 20 0 BCADRP [NH3+]Cc1cc(C(=O)NC[C@H]([NH3+])C2CC2)co1 ZINC000581666377 367666461 /nfs/dbraw/zinc/66/64/61/367666461.db2.gz ZGDSAZNDIVSKOG-JTQLQIEISA-N 2 0 223.276 0.205 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000581666539 367666572 /nfs/dbraw/zinc/66/65/72/367666572.db2.gz LUYOBCKNRUZECV-AXTSPUMRSA-N 2 0 213.325 0.356 20 0 BCADRP C[N@H+](CCOCC(F)(F)F)C1CC([NH3+])C1 ZINC000384729616 367722370 /nfs/dbraw/zinc/72/23/70/367722370.db2.gz AXCHFHPYBCYRCV-UHFFFAOYSA-N 2 0 226.242 0.987 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H]1CC[NH2+]1 ZINC000384780413 367731034 /nfs/dbraw/zinc/73/10/34/367731034.db2.gz KZIFLBYCVCEBGC-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]1CC[NH2+]1)Cc1ccccc1 ZINC000384779442 367731302 /nfs/dbraw/zinc/73/13/02/367731302.db2.gz APZLOXSGBHNVQO-CYBMUJFWSA-N 2 0 247.342 0.597 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[NH2+]1)C[NH+]1CCCCC1 ZINC000384781673 367731535 /nfs/dbraw/zinc/73/15/35/367731535.db2.gz NHGDFINSDCFPEJ-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CC[NH2+]1 ZINC000384779519 367731753 /nfs/dbraw/zinc/73/17/53/367731753.db2.gz KOPOVKZVTHFJKP-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CC[NH2+]1 ZINC000384806168 367735574 /nfs/dbraw/zinc/73/55/74/367735574.db2.gz ZOOSDOXQOWEVPF-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP CC[NH2+]CCC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000566088202 325991721 /nfs/dbraw/zinc/99/17/21/325991721.db2.gz KDESJCSMJPYLKM-JTQLQIEISA-N 2 0 227.352 0.633 20 0 BCADRP C[C@@]1(C(=O)NCC[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000581777075 367826314 /nfs/dbraw/zinc/82/63/14/367826314.db2.gz VHHIQSJFINXBCL-YPMHNXCESA-N 2 0 239.363 0.634 20 0 BCADRP CC(=O)NCCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000385974680 367891799 /nfs/dbraw/zinc/89/17/99/367891799.db2.gz HFHBLIGVFXBLDM-JQWIXIFHSA-N 2 0 227.352 0.633 20 0 BCADRP CC(=O)NCCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000385974683 367891840 /nfs/dbraw/zinc/89/18/40/367891840.db2.gz HFHBLIGVFXBLDM-PWSUYJOCSA-N 2 0 227.352 0.633 20 0 BCADRP COC[C@@H](C)C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000087647038 367948887 /nfs/dbraw/zinc/94/88/87/367948887.db2.gz GUVXRXVIEWWPQA-QWRGUYRKSA-N 2 0 200.326 0.858 20 0 BCADRP C[C@@H](C(=O)NCC[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000087645624 367951482 /nfs/dbraw/zinc/95/14/82/367951482.db2.gz VPYUKDVKTRFKIU-MWLCHTKSSA-N 2 0 221.304 0.397 20 0 BCADRP C[C@H](NCCOCC[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000386367739 367956512 /nfs/dbraw/zinc/95/65/12/367956512.db2.gz AVNLMSGKPLNJMM-QWHCGFSZSA-N 2 0 243.395 0.685 20 0 BCADRP [NH3+]CCOCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000566244389 326021448 /nfs/dbraw/zinc/02/14/48/326021448.db2.gz YCIOWYXUFCWCDF-SRVKXCTJSA-N 3 0 227.352 0.021 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000582001557 368118778 /nfs/dbraw/zinc/11/87/78/368118778.db2.gz XKWBAPAYRXIDCL-WDEREUQCSA-N 2 0 225.336 0.054 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000582001958 368119677 /nfs/dbraw/zinc/11/96/77/368119677.db2.gz VGUFXQXHXCMRON-ZDCRXTMVSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000582001957 368119916 /nfs/dbraw/zinc/11/99/16/368119916.db2.gz VGUFXQXHXCMRON-YTWAJWBKSA-N 2 0 240.351 0.116 20 0 BCADRP CC[N@H+](CC(=O)N1CC(C[NH+](C)C)C1)C1CC1 ZINC000615504140 368080177 /nfs/dbraw/zinc/08/01/77/368080177.db2.gz OWQSHVGJQUTASO-UHFFFAOYSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@H]1CC[N@H+](CC(=O)N2CC(C[NH+](C)C)C2)C1 ZINC000615505588 368080941 /nfs/dbraw/zinc/08/09/41/368080941.db2.gz HEMOUONEDYQSBL-NSHDSACASA-N 2 0 239.363 0.348 20 0 BCADRP CCN(C)C[C@@H](O)C[N@H+](CC)[C@H](C)CO ZINC000566425411 326044339 /nfs/dbraw/zinc/04/43/39/326044339.db2.gz WJBAZUMGYSXATH-GHMZBOCLSA-N 2 0 218.341 0.002 20 0 BCADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)C)C1 ZINC000566444536 326048049 /nfs/dbraw/zinc/04/80/49/326048049.db2.gz HFTVMAKJXOECNK-LLVKDONJSA-N 2 0 227.352 0.348 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000446370639 201683257 /nfs/dbraw/zinc/68/32/57/201683257.db2.gz BAIDJJLIILDQKN-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH3+])CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000566562270 326064110 /nfs/dbraw/zinc/06/41/10/326064110.db2.gz SJMHCOITZFBEHJ-CYZMBNFOSA-N 2 0 241.379 0.552 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566562246 326064324 /nfs/dbraw/zinc/06/43/24/326064324.db2.gz QDJXZGLSKAFNOS-VIFPVBQESA-N 2 0 221.304 0.499 20 0 BCADRP [NH3+]C1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000082259251 368661896 /nfs/dbraw/zinc/66/18/96/368661896.db2.gz HZGOJJKBUZPAGD-JTQLQIEISA-N 2 0 211.309 0.078 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000154396658 326142600 /nfs/dbraw/zinc/14/26/00/326142600.db2.gz WZCKWVKGGRPNCP-AXFHLTTASA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000567336561 326165229 /nfs/dbraw/zinc/16/52/29/326165229.db2.gz IYBQYBWVCCCBCL-DDHJBXDOSA-N 2 0 241.379 0.851 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H]1CCC[NH+](C)C1 ZINC000309823348 326170532 /nfs/dbraw/zinc/17/05/32/326170532.db2.gz WVEWHSHMXFQGAX-AGIUHOORSA-N 2 0 225.380 0.868 20 0 BCADRP C[NH+]1CCC(CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000567355994 326173199 /nfs/dbraw/zinc/17/31/99/326173199.db2.gz ZCYANUWMZIWEHH-TXEJJXNPSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]C[C@H](NC(=O)C[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000372503157 181448125 /nfs/dbraw/zinc/44/81/25/181448125.db2.gz ILRXYYUOIIGUDS-JQWIXIFHSA-N 2 0 239.363 0.620 20 0 BCADRP C[NH2+]CCC1CC[NH+](C[C@](C)(O)C[NH2+]C)CC1 ZINC000567478544 326200757 /nfs/dbraw/zinc/20/07/57/326200757.db2.gz YEDXCHFBFQEJRF-CYBMUJFWSA-N 3 0 243.395 0.278 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)NC(C)(C)C[NH+](C)C ZINC000458756612 203194916 /nfs/dbraw/zinc/19/49/16/203194916.db2.gz KDJLADKWJXEERG-JTQLQIEISA-N 2 0 244.383 0.576 20 0 BCADRP [NH3+][C@H]1CCCCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000567654815 326239415 /nfs/dbraw/zinc/23/94/15/326239415.db2.gz IHOLXDQUTWSMOT-RNWYCLNJSA-N 2 0 209.337 0.454 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000567683672 326244792 /nfs/dbraw/zinc/24/47/92/326244792.db2.gz UTCFRUGCHXGKIO-WOPDTQHZSA-N 2 0 230.352 0.456 20 0 BCADRP CCO[C@@H]1C[N@H+](CCCC(=O)OC)C[C@H]1C[NH3+] ZINC000405204406 369449685 /nfs/dbraw/zinc/44/96/85/369449685.db2.gz HQANDJPODNSVFV-GHMZBOCLSA-N 2 0 244.335 0.235 20 0 BCADRP COC(=O)C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000259913051 370955159 /nfs/dbraw/zinc/95/51/59/370955159.db2.gz GODONDJBEMPMLO-MNOVXSKESA-N 2 0 226.320 0.623 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000567837238 326267148 /nfs/dbraw/zinc/26/71/48/326267148.db2.gz DKGFYKXMEPQLIV-NEPJUHHUSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000567893091 326278021 /nfs/dbraw/zinc/27/80/21/326278021.db2.gz VLURURQHNIKCHJ-NSHDSACASA-N 2 0 211.353 0.670 20 0 BCADRP Cn1nccc1[C@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000567990593 326292543 /nfs/dbraw/zinc/29/25/43/326292543.db2.gz LQHSCEGQQQPWBA-NSHDSACASA-N 2 0 222.336 0.948 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000620207445 369767170 /nfs/dbraw/zinc/76/71/70/369767170.db2.gz KGVZIOYFCQAQTN-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252699181 370117512 /nfs/dbraw/zinc/11/75/12/370117512.db2.gz RQYDUFDXBXIRNG-WOPDTQHZSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H](C)[NH2+]1 ZINC000620903293 370050479 /nfs/dbraw/zinc/05/04/79/370050479.db2.gz LQNILUPVPFQVRJ-QJPTWQEYSA-N 2 0 239.363 0.680 20 0 BCADRP CC[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000620904632 370051813 /nfs/dbraw/zinc/05/18/13/370051813.db2.gz UKELMPGASGQZIO-VHSXEESVSA-N 2 0 213.325 0.147 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000621153019 370125421 /nfs/dbraw/zinc/12/54/21/370125421.db2.gz JCMKNOFKDFBWIR-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000252852068 370137213 /nfs/dbraw/zinc/13/72/13/370137213.db2.gz IIMMJBYBGQKDOM-NAKRPEOUSA-N 2 0 227.352 0.569 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000309746773 370253419 /nfs/dbraw/zinc/25/34/19/370253419.db2.gz FULFXGVNYXEXOJ-AEJSXWLSSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000309738658 370252134 /nfs/dbraw/zinc/25/21/34/370252134.db2.gz CWVQCWDTVAHSJD-BDAKNGLRSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1CCC[NH2+]C1 ZINC000309759204 370255432 /nfs/dbraw/zinc/25/54/32/370255432.db2.gz IHDLZHPFRMLUIP-IJLUTSLNSA-N 2 0 211.353 0.798 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000621490959 370370607 /nfs/dbraw/zinc/37/06/07/370370607.db2.gz CAVXSZZAOVABTK-UHFFFAOYSA-N 2 0 248.330 0.468 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621679794 370429492 /nfs/dbraw/zinc/42/94/92/370429492.db2.gz UQYLYUSGWBRYMS-JFGNBEQYSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)CC[NH2+]C1CC1)C2 ZINC000621681828 370430454 /nfs/dbraw/zinc/43/04/54/370430454.db2.gz XDXMYMCQPLKSBY-MFKMUULPSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[NH2+]1)C2 ZINC000621683864 370433750 /nfs/dbraw/zinc/43/37/50/370433750.db2.gz CUGGFKHRARXNLR-LOWVWBTDSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+]CCCCC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684336 370433806 /nfs/dbraw/zinc/43/38/06/370433806.db2.gz KUASPLYBKCRLGV-JQWIXIFHSA-N 2 0 225.336 0.455 20 0 BCADRP C[C@]1(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC[NH2+]C1 ZINC000621684077 370433957 /nfs/dbraw/zinc/43/39/57/370433957.db2.gz HFTVBYAKTWIAQH-WXHSDQCUSA-N 2 0 237.347 0.326 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]C1)NC1CC[NH2+]CC1 ZINC000621619921 370404636 /nfs/dbraw/zinc/40/46/36/370404636.db2.gz KBXAPSIFGQJYNT-NSHDSACASA-N 2 0 239.363 0.634 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000621620196 370405381 /nfs/dbraw/zinc/40/53/81/370405381.db2.gz VCZQZNNUGRCBLB-NWDGAFQWSA-N 2 0 239.363 0.634 20 0 BCADRP CC[NH2+]CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621622017 370406374 /nfs/dbraw/zinc/40/63/74/370406374.db2.gz RFTSLPREUNBUFK-LLVKDONJSA-N 2 0 227.352 0.492 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621621985 370406398 /nfs/dbraw/zinc/40/63/98/370406398.db2.gz PYXJUPIPCYZNAL-QWRGUYRKSA-N 2 0 225.336 0.326 20 0 BCADRP CN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000621622666 370407707 /nfs/dbraw/zinc/40/77/07/370407707.db2.gz JPXBBJGCYFKSBR-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000621623847 370407835 /nfs/dbraw/zinc/40/78/35/370407835.db2.gz OCLDFMGGMVLSPJ-JQWIXIFHSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621653359 370412964 /nfs/dbraw/zinc/41/29/64/370412964.db2.gz WFUKIYSDNXKIMD-WDEREUQCSA-N 2 0 227.352 0.477 20 0 BCADRP C[C@H](C[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621653709 370414017 /nfs/dbraw/zinc/41/40/17/370414017.db2.gz FGFFYYBFGHBRJE-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621656806 370414509 /nfs/dbraw/zinc/41/45/09/370414509.db2.gz XEOCVABMNSQLRY-NEPJUHHUSA-N 2 0 241.379 0.880 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621656210 370414807 /nfs/dbraw/zinc/41/48/07/370414807.db2.gz JIACMYKEBNGWMT-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621656807 370415284 /nfs/dbraw/zinc/41/52/84/370415284.db2.gz XEOCVABMNSQLRY-VXGBXAGGSA-N 2 0 241.379 0.880 20 0 BCADRP CN(CC[NH3+])C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621665010 370418027 /nfs/dbraw/zinc/41/80/27/370418027.db2.gz NOHQMRZGSWXWLR-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621693576 370441102 /nfs/dbraw/zinc/44/11/02/370441102.db2.gz YDWKPPNDACBFIF-DGCLKSJQSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C[NH2+]C1CC1)C2 ZINC000621698528 370443947 /nfs/dbraw/zinc/44/39/47/370443947.db2.gz ZYCPYNNHYNNONE-CABZTGNLSA-N 2 0 223.320 0.078 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)[NH+](C)C ZINC000621698985 370446351 /nfs/dbraw/zinc/44/63/51/370446351.db2.gz JVDJFBZZTXYUMR-NHCYSSNCSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000621703714 370450888 /nfs/dbraw/zinc/45/08/88/370450888.db2.gz SHGSBCHOJMTFIO-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000621703781 370452212 /nfs/dbraw/zinc/45/22/12/370452212.db2.gz HUCQYLIRHOERFW-UWVGGRQHSA-N 2 0 213.325 0.230 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621690549 370439266 /nfs/dbraw/zinc/43/92/66/370439266.db2.gz VVCIDAKGUUTPGH-DGCLKSJQSA-N 2 0 239.363 0.668 20 0 BCADRP CCn1cc(CC[N@@H+]2CC[C@@H](C[NH2+]C)C2)cn1 ZINC000621774311 370519580 /nfs/dbraw/zinc/51/95/80/370519580.db2.gz QNYBNDWWFXEFQK-LBPRGKRZSA-N 2 0 236.363 0.987 20 0 BCADRP CC[NH2+]CCCNC(=O)c1ccc(C[NH3+])cc1 ZINC000568388881 326352903 /nfs/dbraw/zinc/35/29/03/326352903.db2.gz ARBSLZOUFLIWPK-UHFFFAOYSA-N 2 0 235.331 0.875 20 0 BCADRP CCn1nccc1CC[N@H+](C)C1CC([NH3+])C1 ZINC000621775414 370523375 /nfs/dbraw/zinc/52/33/75/370523375.db2.gz OLNXZXGXLQNYKZ-UHFFFAOYSA-N 2 0 222.336 0.867 20 0 BCADRP Cc1cc(CN2CCCO[C@@H](C[NH3+])C2)ccn1 ZINC000621776835 370525436 /nfs/dbraw/zinc/52/54/36/370525436.db2.gz XOLUBTRINZFPPD-ZDUSSCGKSA-N 2 0 235.331 0.940 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000568770228 326376794 /nfs/dbraw/zinc/37/67/94/326376794.db2.gz YIUPNPZDZXVOFC-NSHDSACASA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H]1CC[C@@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000623837062 371120084 /nfs/dbraw/zinc/12/00/84/371120084.db2.gz WLHFDNKVLFMRQZ-TUAOUCFPSA-N 2 0 212.337 0.831 20 0 BCADRP CC[C@H]1C[C@H]([NH2+]CCN2CC[C@H](O)C2)CCO1 ZINC000623838411 371121066 /nfs/dbraw/zinc/12/10/66/371121066.db2.gz UJEUSZPSEMUVSU-AGIUHOORSA-N 2 0 242.363 0.600 20 0 BCADRP CC[C@H]1C[C@@H]([NH2+]CCN2CC[C@H](O)C2)CCO1 ZINC000623838412 371121143 /nfs/dbraw/zinc/12/11/43/371121143.db2.gz UJEUSZPSEMUVSU-AVGNSLFASA-N 2 0 242.363 0.600 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000569229513 326396072 /nfs/dbraw/zinc/39/60/72/326396072.db2.gz WHGYRRNKTXSLIT-VOMCLLRMSA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCCC3)C1 ZINC000357234100 181586794 /nfs/dbraw/zinc/58/67/94/181586794.db2.gz ARHFVUYKCLRNEN-NQBHXWOUSA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000373066178 181592282 /nfs/dbraw/zinc/59/22/82/181592282.db2.gz OSZKGTYELDVWIQ-WRWGMCAJSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000624130231 371331174 /nfs/dbraw/zinc/33/11/74/371331174.db2.gz IPQWYZFBVYBMNV-YUSALJHKSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)CC[N@@H+]1C ZINC000624219014 371407455 /nfs/dbraw/zinc/40/74/55/371407455.db2.gz IMDQSPQNGIAMSO-NNYUYHANSA-N 2 0 212.337 0.830 20 0 BCADRP CC1(C)CC([NH2+]CCN2CC[C@@H](O)C2)C1 ZINC000624231178 371418178 /nfs/dbraw/zinc/41/81/78/371418178.db2.gz RNOGDKOKHMBESC-LLVKDONJSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)C1CC[NH+](C)CC1 ZINC000624236961 371424856 /nfs/dbraw/zinc/42/48/56/371424856.db2.gz NIQLLWSTBCWXJT-CYZMBNFOSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H]([NH3+])CN1C[C@H](C[NH3+])Cc2ccccc21 ZINC000631894259 371601721 /nfs/dbraw/zinc/60/17/21/371601721.db2.gz OQVAYIJQQRSPLL-MNOVXSKESA-N 2 0 219.332 0.971 20 0 BCADRP C[C@H]([NH3+])CN1C[C@H](C[NH3+])Cc2ccccc21 ZINC000631894260 371601815 /nfs/dbraw/zinc/60/18/15/371601815.db2.gz OQVAYIJQQRSPLL-QWRGUYRKSA-N 2 0 219.332 0.971 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000162073684 371608369 /nfs/dbraw/zinc/60/83/69/371608369.db2.gz LZMPBGQNMXCZNP-RYUDHWBXSA-N 2 0 239.363 0.714 20 0 BCADRP CN(C(=O)[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000131655439 371643222 /nfs/dbraw/zinc/64/32/22/371643222.db2.gz QHPPGVFGILBAMR-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)C1CC[NH+](C)CC1 ZINC000631748594 372549484 /nfs/dbraw/zinc/54/94/84/372549484.db2.gz BCDYXCHVMBCIJG-RAIGVLPGSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H](CNC(=O)C[NH+](C)C)C[NH+]1CCCCC1 ZINC000171388577 372564566 /nfs/dbraw/zinc/56/45/66/372564566.db2.gz OJLNDTCSLXUWFE-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP C[NH+](C)CC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000171388000 372564878 /nfs/dbraw/zinc/56/48/78/372564878.db2.gz XCZLPEABORUPBR-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631823507 372602236 /nfs/dbraw/zinc/60/22/36/372602236.db2.gz GIOJSSSNXMXXOV-AXFHLTTASA-N 2 0 235.335 0.435 20 0 BCADRP CC1([NH3+])CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000631824768 372603657 /nfs/dbraw/zinc/60/36/57/372603657.db2.gz PLMLACWVEPLFHM-SNVBAGLBSA-N 2 0 235.335 0.579 20 0 BCADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000631828751 372608791 /nfs/dbraw/zinc/60/87/91/372608791.db2.gz XIFPKEYTYRNZGT-TUAOUCFPSA-N 2 0 228.336 0.461 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000631829314 372611378 /nfs/dbraw/zinc/61/13/78/372611378.db2.gz NFSVYCUHWOWEIH-GMTAPVOTSA-N 2 0 235.335 0.577 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000631831532 372616282 /nfs/dbraw/zinc/61/62/82/372616282.db2.gz HUPNAPFWEHFLDJ-VXGBXAGGSA-N 2 0 211.353 0.799 20 0 BCADRP CCN(CC)C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837413 372617929 /nfs/dbraw/zinc/61/79/29/372617929.db2.gz BFMLDRHXJPSITJ-GHMZBOCLSA-N 2 0 227.352 0.381 20 0 BCADRP [NH3+]CCOCCN1CCCCC[C@@H]([NH3+])C1 ZINC000631835141 372620336 /nfs/dbraw/zinc/62/03/36/372620336.db2.gz NISWZPMYGPLYSX-LLVKDONJSA-N 2 0 215.341 0.165 20 0 BCADRP FCCC1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000631836705 372624759 /nfs/dbraw/zinc/62/47/59/372624759.db2.gz FJOCAQXOZOGUEA-UHFFFAOYSA-N 2 0 243.370 0.963 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C[NH3+] ZINC000631837047 372627307 /nfs/dbraw/zinc/62/73/07/372627307.db2.gz MBMZHCABLGBHHQ-UTUOFQBUSA-N 3 0 239.363 0.034 20 0 BCADRP CCOCCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839191 372633995 /nfs/dbraw/zinc/63/39/95/372633995.db2.gz BQOKTBCBSJQOAW-GHMZBOCLSA-N 2 0 200.326 0.940 20 0 BCADRP C[C@H]1C[N@H+](CC2CCOCC2)C[C@H]1C[NH3+] ZINC000631839704 372636984 /nfs/dbraw/zinc/63/69/84/372636984.db2.gz JTWNXBQRIPXPCI-CMPLNLGQSA-N 2 0 212.337 0.940 20 0 BCADRP COCCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000631861992 372663683 /nfs/dbraw/zinc/66/36/83/372663683.db2.gz CMSGSIUKEQNWBO-UHFFFAOYSA-N 2 0 216.325 0.069 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000631866043 372666401 /nfs/dbraw/zinc/66/64/01/372666401.db2.gz SGULXXVGZSZETM-SECBINFHSA-N 2 0 238.278 0.318 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000631866052 372666778 /nfs/dbraw/zinc/66/67/78/372666778.db2.gz SGULXXVGZSZETM-VIFPVBQESA-N 2 0 238.278 0.318 20 0 BCADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(C)(F)CC1 ZINC000631866973 372668345 /nfs/dbraw/zinc/66/83/45/372668345.db2.gz FOEXPUFOPSACTL-NSHDSACASA-N 2 0 218.316 0.781 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631883878 372673752 /nfs/dbraw/zinc/67/37/52/372673752.db2.gz DACBGVCXHPVEGG-UPJWGTAASA-N 2 0 223.364 0.670 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631883879 372673873 /nfs/dbraw/zinc/67/38/73/372673873.db2.gz DACBGVCXHPVEGG-XQQFMLRXSA-N 2 0 223.364 0.670 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000631880501 372679856 /nfs/dbraw/zinc/67/98/56/372679856.db2.gz WSUMUKQSEUAJFT-CHWSQXEVSA-N 2 0 243.395 0.229 20 0 BCADRP O=C(C[NH2+]CC1CC1)N[C@H]1CCC[NH2+]CC1 ZINC000370022250 181978699 /nfs/dbraw/zinc/97/86/99/181978699.db2.gz SMJZGVJDINVECG-NSHDSACASA-N 2 0 225.336 0.244 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@@H]1CCC[NH2+]1 ZINC000364467086 182018854 /nfs/dbraw/zinc/01/88/54/182018854.db2.gz NFQHCNAIMLFFPM-NEPJUHHUSA-N 2 0 239.363 0.634 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]CC1)N1CCC[NH2+]CC1 ZINC000336307018 182019627 /nfs/dbraw/zinc/01/96/27/182019627.db2.gz SNTVIAXRJYFYBQ-GFCCVEGCSA-N 2 0 239.363 0.588 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372887903 182017369 /nfs/dbraw/zinc/01/73/69/182017369.db2.gz AVWDNGLJVNRUCW-WOPDTQHZSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444162357 205522969 /nfs/dbraw/zinc/52/29/69/205522969.db2.gz ACXAFPUXPVHPLC-GFCCVEGCSA-N 2 0 239.363 0.585 20 0 BCADRP O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000062114023 182116521 /nfs/dbraw/zinc/11/65/21/182116521.db2.gz MSYHTPLWJLTIIJ-SNVBAGLBSA-N 2 0 237.347 0.339 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000040673625 373584716 /nfs/dbraw/zinc/58/47/16/373584716.db2.gz SLDDHWCVFFIMCI-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP O=C(NCCC[NH+]1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000037467346 182166938 /nfs/dbraw/zinc/16/69/38/182166938.db2.gz AISJGINZQMDXDI-LBPRGKRZSA-N 2 0 239.363 0.588 20 0 BCADRP O=C(NCC[NH2+]C1CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000238103307 182188929 /nfs/dbraw/zinc/18/89/29/182188929.db2.gz FBCLKWNYCBTJGY-LLVKDONJSA-N 2 0 237.347 0.244 20 0 BCADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1CCCCC[NH2+]1 ZINC000364470825 182201855 /nfs/dbraw/zinc/20/18/55/182201855.db2.gz YIDLVZURXVKLQP-NEPJUHHUSA-N 2 0 239.363 0.634 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCC[C@H](C)[NH3+] ZINC000417445390 205851219 /nfs/dbraw/zinc/85/12/19/205851219.db2.gz GRETWDGVJNTWOV-QWRGUYRKSA-N 2 0 244.383 0.753 20 0 BCADRP C[C@@H](NC(=O)NC[C@H]1CCCC[NH2+]1)[C@H](C)[NH3+] ZINC000634270083 374083060 /nfs/dbraw/zinc/08/30/60/374083060.db2.gz LRPRXUBLZXBQGK-IVZWLZJFSA-N 2 0 228.340 0.163 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H](C)[NH3+])CC[N@@H+]1C ZINC000634300493 374127391 /nfs/dbraw/zinc/12/73/91/374127391.db2.gz AEGHNSWPHNKBGI-VHSXEESVSA-N 2 0 213.325 0.132 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C(C)(C)C[NH3+])CC[N@@H+]1C ZINC000634301099 374129253 /nfs/dbraw/zinc/12/92/53/374129253.db2.gz WQEWZZVRQVJRPD-LLVKDONJSA-N 2 0 241.379 0.770 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]1)c1ccc2c(c1)C[NH2+]C2 ZINC000336538623 182237684 /nfs/dbraw/zinc/23/76/84/182237684.db2.gz KESWKZXYEMEUBV-CYBMUJFWSA-N 2 0 245.326 0.772 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418355369 206011949 /nfs/dbraw/zinc/01/19/49/206011949.db2.gz BJLYGTXEHLFWFM-GHMZBOCLSA-N 2 0 242.367 0.555 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424381697 206039418 /nfs/dbraw/zinc/03/94/18/206039418.db2.gz ZJWMAHZVEYAGRV-IJLUTSLNSA-N 3 0 229.368 0.600 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CC[NH2+]C1 ZINC000250895026 182301478 /nfs/dbraw/zinc/30/14/78/182301478.db2.gz YICSXTPPLUNQRY-QJPTWQEYSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCC[NH2+]1 ZINC000251384295 182304074 /nfs/dbraw/zinc/30/40/74/182304074.db2.gz QHKNBDVDOOMGAJ-GRYCIOLGSA-N 2 0 237.347 0.481 20 0 BCADRP COCCOCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000155884528 206072184 /nfs/dbraw/zinc/07/21/84/206072184.db2.gz YXTCKQAQXUHLQB-NWDGAFQWSA-N 2 0 230.352 0.722 20 0 BCADRP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC000366478744 182326598 /nfs/dbraw/zinc/32/65/98/182326598.db2.gz VLUGNBZAAQGOBT-QWRGUYRKSA-N 2 0 237.347 0.244 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000449598239 206099536 /nfs/dbraw/zinc/09/95/36/206099536.db2.gz BIKLZXSOGXCNEX-GMOBBJLQSA-N 2 0 227.352 0.746 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000131672304 182336354 /nfs/dbraw/zinc/33/63/54/182336354.db2.gz WNPYPXDTXSRIPU-QWHCGFSZSA-N 2 0 245.326 0.179 20 0 BCADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)C1C[NH2+]C1 ZINC000367639329 182365517 /nfs/dbraw/zinc/36/55/17/182365517.db2.gz VAGBAHBHDLCQOT-UHFFFAOYSA-N 2 0 249.289 0.629 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365332486 182616710 /nfs/dbraw/zinc/61/67/10/182616710.db2.gz HWCDSKVILZJWOD-UTUOFQBUSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H]1CN(C(=O)C2([NH3+])CCCC2)C[C@@H](C)[NH2+]1 ZINC000178409902 134310009 /nfs/dbraw/zinc/31/00/09/134310009.db2.gz CTUAVQKKMACZPN-NXEZZACHSA-N 2 0 225.336 0.467 20 0 BCADRP CCCN(C(=O)[C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000178933896 134313810 /nfs/dbraw/zinc/31/38/10/134313810.db2.gz WYQCWNNNWZCLTL-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP OCC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000011953370 183041580 /nfs/dbraw/zinc/04/15/80/183041580.db2.gz AIGAQNFFNQWYKB-UHFFFAOYSA-N 2 0 212.337 0.690 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](C)C[NH3+] ZINC000336757740 169002341 /nfs/dbraw/zinc/00/23/41/169002341.db2.gz KFWHVLTYBYABMA-RKDXNWHRSA-N 2 0 201.314 0.215 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@H](C)C[NH3+] ZINC000309017597 169007201 /nfs/dbraw/zinc/00/72/01/169007201.db2.gz VEGOCFMUVUXJOB-BDAKNGLRSA-N 2 0 201.314 0.215 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCC[NH2+]C1 ZINC000132022793 169001974 /nfs/dbraw/zinc/00/19/74/169001974.db2.gz XIKPTSLAODTATJ-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000162916948 169002087 /nfs/dbraw/zinc/00/20/87/169002087.db2.gz ZWWQBSLRWAYOBM-WDEREUQCSA-N 2 0 227.352 0.762 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CC ZINC000359249918 169069976 /nfs/dbraw/zinc/06/99/76/169069976.db2.gz YFGKXJDETBAERK-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[NH+](C)C(C)C ZINC000359260424 169070987 /nfs/dbraw/zinc/07/09/87/169070987.db2.gz IJCUHLPSKDXNII-UHFFFAOYSA-N 2 0 229.368 0.785 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H](C)Cn1ccnc1 ZINC000358582888 169072116 /nfs/dbraw/zinc/07/21/16/169072116.db2.gz DZXLHXNNTIFXEY-NSHDSACASA-N 2 0 238.335 0.730 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000359253593 169073341 /nfs/dbraw/zinc/07/33/41/169073341.db2.gz RVHMMTSUUNQXGE-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H](C)C[NH3+] ZINC000336648608 169074458 /nfs/dbraw/zinc/07/44/58/169074458.db2.gz CSDBLAHNRKRJCY-SECBINFHSA-N 2 0 201.314 0.039 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CCC[NH+](C)C1 ZINC000357397421 169064010 /nfs/dbraw/zinc/06/40/10/169064010.db2.gz DVKIRTLVOHJFML-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359398421 169067211 /nfs/dbraw/zinc/06/72/11/169067211.db2.gz XRLBDMXLIUMPMW-QWRGUYRKSA-N 2 0 225.336 0.006 20 0 BCADRP CCC[N@@H+](CC(=O)N(C)C)CC1CC[NH2+]CC1 ZINC000043497685 169093612 /nfs/dbraw/zinc/09/36/12/169093612.db2.gz XDIKDFVECUFXDH-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CCC[N@H+](CC)C[C@H](C)NC(=O)C[NH+](C)C ZINC000359782345 169126939 /nfs/dbraw/zinc/12/69/39/169126939.db2.gz GENJFNXKYBSEEY-NSHDSACASA-N 2 0 229.368 0.785 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000226407330 169120634 /nfs/dbraw/zinc/12/06/34/169120634.db2.gz SXZMWANADPKCRX-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000356974955 169158515 /nfs/dbraw/zinc/15/85/15/169158515.db2.gz BXTITOHDDAFNJW-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000092135780 169188890 /nfs/dbraw/zinc/18/88/90/169188890.db2.gz SBWHVPHVZHYZIU-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CCC[N@@H+]1CCCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000367650971 169192375 /nfs/dbraw/zinc/19/23/75/169192375.db2.gz MHEILCNJWZICJA-LLVKDONJSA-N 2 0 227.352 0.526 20 0 BCADRP CCC[N@@H+]1CCCN(C(=O)[C@H](C)C[NH2+]C)CC1 ZINC000370782828 169192755 /nfs/dbraw/zinc/19/27/55/169192755.db2.gz VKMNYLPMQHSDOZ-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000125996998 169194550 /nfs/dbraw/zinc/19/45/50/169194550.db2.gz RMFHSQFVUOTJPI-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000236764453 169195727 /nfs/dbraw/zinc/19/57/27/169195727.db2.gz MOYWJKUGABZMNW-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000236766102 169197971 /nfs/dbraw/zinc/19/79/71/169197971.db2.gz MOYWJKUGABZMNW-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508164 169198131 /nfs/dbraw/zinc/19/81/31/169198131.db2.gz OSKSWZHBPYCDCM-NSHDSACASA-N 2 0 225.336 0.293 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000358828132 169198444 /nfs/dbraw/zinc/19/84/44/169198444.db2.gz JZVGGEPQCBZSAI-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C ZINC000120960505 169198570 /nfs/dbraw/zinc/19/85/70/169198570.db2.gz YBEXBYJAOPRQTJ-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178697 169198715 /nfs/dbraw/zinc/19/87/15/169198715.db2.gz MYUDBONJRGQXEA-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP CCCNC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000082474945 169220777 /nfs/dbraw/zinc/22/07/77/169220777.db2.gz NTLCUWWSYRYGRB-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000236783145 169258316 /nfs/dbraw/zinc/25/83/16/169258316.db2.gz SPFQGVSVPKRFQM-ZJUUUORDSA-N 2 0 215.341 0.476 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000236782968 169258652 /nfs/dbraw/zinc/25/86/52/169258652.db2.gz KRRZRDSLPRAQCQ-JTQLQIEISA-N 2 0 215.341 0.476 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000376971495 169258760 /nfs/dbraw/zinc/25/87/60/169258760.db2.gz KIZOYYPHZFTQBU-CMPLNLGQSA-N 2 0 225.336 0.102 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000236800221 169259346 /nfs/dbraw/zinc/25/93/46/169259346.db2.gz ALUQCKFLZAIRIO-CYBMUJFWSA-N 2 0 249.358 0.672 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@H]1CC ZINC000353509981 169259471 /nfs/dbraw/zinc/25/94/71/169259471.db2.gz IPQQDSXXTMSCTL-QWRGUYRKSA-N 2 0 227.352 0.490 20 0 BCADRP CCC[NH2+]CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000236823107 169259765 /nfs/dbraw/zinc/25/97/65/169259765.db2.gz JUKGHSVPTZCKOT-UHFFFAOYSA-N 2 0 235.331 0.875 20 0 BCADRP CCCNC(=O)[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000111612162 169241401 /nfs/dbraw/zinc/24/14/01/169241401.db2.gz MVHHJZGASYNTQI-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP CCCS(=O)(=O)CCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000226540268 169329595 /nfs/dbraw/zinc/32/95/95/169329595.db2.gz UPIMDDPTPOXXGI-MNOVXSKESA-N 2 0 248.392 0.480 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812640 169388404 /nfs/dbraw/zinc/38/84/04/169388404.db2.gz BCJNEUKROUPJDA-GHMZBOCLSA-N 2 0 225.336 0.420 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000040503645 169392373 /nfs/dbraw/zinc/39/23/73/169392373.db2.gz WXLANANQACWFBT-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP COC1CC([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000221253620 134322480 /nfs/dbraw/zinc/32/24/80/134322480.db2.gz VGKZHZYUQLMAAZ-UHFFFAOYSA-N 2 0 241.379 0.391 20 0 BCADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC([NH+](C)C)C1 ZINC000355570842 169397935 /nfs/dbraw/zinc/39/79/35/169397935.db2.gz IMPQFMVXWAYSME-GFCCVEGCSA-N 2 0 241.379 0.926 20 0 BCADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[NH+]1CCC1 ZINC000355168693 169398582 /nfs/dbraw/zinc/39/85/82/169398582.db2.gz YFUPXUBCRIXDQK-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]2(C)CCCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000180897468 134332194 /nfs/dbraw/zinc/33/21/94/134332194.db2.gz CCXSHRITHOQCED-WZRBSPASSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184169318 134359287 /nfs/dbraw/zinc/35/92/87/134359287.db2.gz HRBPVSHWAQVMQC-SNVBAGLBSA-N 2 0 221.304 0.321 20 0 BCADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)CC(N)=O)CC1 ZINC000226313343 134360141 /nfs/dbraw/zinc/36/01/41/134360141.db2.gz LQIWPUORTMXDJG-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]CCC[NH+]1CCC(CNC(C)=O)CC1 ZINC000226314493 134360417 /nfs/dbraw/zinc/36/04/17/134360417.db2.gz AJSGRFSMVISOMM-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC([NH3+])CC1 ZINC000566195133 383836532 /nfs/dbraw/zinc/83/65/32/383836532.db2.gz AOHQACGPSAWEAK-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP COC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069724219 383840652 /nfs/dbraw/zinc/84/06/52/383840652.db2.gz UMBHWLZZYSABFI-VIFPVBQESA-N 2 0 200.282 0.220 20 0 BCADRP CC[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC[C@@H]1[NH3+] ZINC000648124747 383844128 /nfs/dbraw/zinc/84/41/28/383844128.db2.gz BQPKTWLVLRGTTR-GARJFASQSA-N 2 0 241.379 0.946 20 0 BCADRP C[NH2+][C@@H]1CCCN(CCOCCOC)C1 ZINC000070028337 383856482 /nfs/dbraw/zinc/85/64/82/383856482.db2.gz FFNOJGULNWJABK-LLVKDONJSA-N 2 0 216.325 0.333 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)C1CC[NH2+]CC1 ZINC000309379123 383861395 /nfs/dbraw/zinc/86/13/95/383861395.db2.gz DCJMPZRTGZJNKV-IUCAKERBSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000037824280 383866439 /nfs/dbraw/zinc/86/64/39/383866439.db2.gz ZFJVESJGNFMFFK-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H](C)C[NH3+] ZINC000449361792 383978705 /nfs/dbraw/zinc/97/87/05/383978705.db2.gz YPEQJWRNAFMCPG-SKDRFNHKSA-N 2 0 235.331 0.706 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC000518529645 383980427 /nfs/dbraw/zinc/98/04/27/383980427.db2.gz QCKLXNSMSTZRJT-YFKTTZPYSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000572618927 383983102 /nfs/dbraw/zinc/98/31/02/383983102.db2.gz FLXLTDDTYSLTOH-JFGNBEQYSA-N 2 0 225.336 0.337 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[C@@H]1[NH3+] ZINC000648126297 383983905 /nfs/dbraw/zinc/98/39/05/383983905.db2.gz DRKIDYJYXLVRSW-GCHJQGSQSA-N 2 0 237.347 0.038 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)Cn1ccnc1 ZINC000037621625 383992236 /nfs/dbraw/zinc/99/22/36/383992236.db2.gz CTVWITCYDLSTCQ-CMPLNLGQSA-N 2 0 238.335 0.905 20 0 BCADRP C[NH2+]CCC1CC[NH+](CCOCC[NH3+])CC1 ZINC000518535782 383993517 /nfs/dbraw/zinc/99/35/17/383993517.db2.gz MEGRIJPZUZTGRY-UHFFFAOYSA-N 3 0 229.368 0.283 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000237142562 383945799 /nfs/dbraw/zinc/94/57/99/383945799.db2.gz YOCZHMZIYAIVPI-MNOVXSKESA-N 2 0 225.336 0.052 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000449148488 384016458 /nfs/dbraw/zinc/01/64/58/384016458.db2.gz TWVMDNAFDHJIBU-TUAOUCFPSA-N 2 0 241.379 0.973 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186830224 384026461 /nfs/dbraw/zinc/02/64/61/384026461.db2.gz RUCUIRFNAMFXMQ-MNOVXSKESA-N 2 0 227.352 0.441 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449372473 384043482 /nfs/dbraw/zinc/04/34/82/384043482.db2.gz IGKZFQBZMMZBLD-VWYCJHECSA-N 2 0 227.352 0.748 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186843894 384053732 /nfs/dbraw/zinc/05/37/32/384053732.db2.gz LZYDPAJLMKJWID-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccnc(C[NH3+])c1 ZINC000648127659 384053783 /nfs/dbraw/zinc/05/37/83/384053783.db2.gz DTWGHGUJIJFWOG-VHSXEESVSA-N 2 0 248.330 0.363 20 0 BCADRP Cn1cncc1CC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000401812730 384055830 /nfs/dbraw/zinc/05/58/30/384055830.db2.gz VIDDOGCTMMNCBU-JTQLQIEISA-N 2 0 208.309 0.243 20 0 BCADRP [NH3+]Cc1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)ccn1 ZINC000566199250 384061724 /nfs/dbraw/zinc/06/17/24/384061724.db2.gz VVWLMJUBHROZFK-JTQLQIEISA-N 2 0 248.330 0.270 20 0 BCADRP CCCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000077304749 384063765 /nfs/dbraw/zinc/06/37/65/384063765.db2.gz LVGBHENZCPNJQB-LBPRGKRZSA-N 2 0 211.353 0.766 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC[N@@H+]1C ZINC000648128834 384072147 /nfs/dbraw/zinc/07/21/47/384072147.db2.gz SVLNFRIAJOKTDW-WISYIIOYSA-N 2 0 239.363 0.583 20 0 BCADRP CCN(CC)C(=O)[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000302355547 384149200 /nfs/dbraw/zinc/14/92/00/384149200.db2.gz KMTHFQXLKPDDJC-NSHDSACASA-N 2 0 245.367 0.150 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC[N@@H+]1C ZINC000648137664 384158445 /nfs/dbraw/zinc/15/84/45/384158445.db2.gz BJHDLYYWRSRIGH-YTWAJWBKSA-N 2 0 225.336 0.275 20 0 BCADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000648137777 384157547 /nfs/dbraw/zinc/15/75/47/384157547.db2.gz IYHCDLLMAUMZHH-NMKXLXIOSA-N 2 0 249.358 0.339 20 0 BCADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000648137778 384157690 /nfs/dbraw/zinc/15/76/90/384157690.db2.gz IYHCDLLMAUMZHH-NRWUCQMLSA-N 2 0 249.358 0.339 20 0 BCADRP [NH3+]CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000648142303 384173995 /nfs/dbraw/zinc/17/39/95/384173995.db2.gz MZSQRLOJXSPCGP-MNOVXSKESA-N 2 0 225.336 0.183 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648139909 384169026 /nfs/dbraw/zinc/16/90/26/384169026.db2.gz MGUUYABAFKSLHO-UKKRHICBSA-N 2 0 225.336 0.086 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357320553 384203314 /nfs/dbraw/zinc/20/33/14/384203314.db2.gz YJUCRSIBSRLXBD-WZRBSPASSA-N 2 0 241.379 0.829 20 0 BCADRP C[C@H](C(=O)NCC[NH3+])N1CCc2ccccc2C1 ZINC000237450038 384203507 /nfs/dbraw/zinc/20/35/07/384203507.db2.gz OQBXKGXQODXXMV-LLVKDONJSA-N 2 0 247.342 0.508 20 0 BCADRP COC[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)C1CC1 ZINC000309456218 384190316 /nfs/dbraw/zinc/19/03/16/384190316.db2.gz MMWMNXXMGHGQNQ-NEPJUHHUSA-N 2 0 228.336 0.068 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CC[NH3+])C[N@@H+]1C1CC1 ZINC000237439110 384199317 /nfs/dbraw/zinc/19/93/17/384199317.db2.gz KMUMTAGCFPKNHL-BDAKNGLRSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000082475026 384230118 /nfs/dbraw/zinc/23/01/18/384230118.db2.gz DZPPXPVITAZPNC-VIFPVBQESA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H](NC(=O)C1([NH3+])CC1)C(C)(C)C[NH+](C)C ZINC000237488315 384236853 /nfs/dbraw/zinc/23/68/53/384236853.db2.gz AEOYYXBXOBBPNX-SECBINFHSA-N 2 0 227.352 0.570 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000644155470 384222150 /nfs/dbraw/zinc/22/21/50/384222150.db2.gz IMXLCRQGBPOCLT-IUCAKERBSA-N 2 0 225.336 0.241 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC(C)(C)CC[NH3+] ZINC000644164949 384243093 /nfs/dbraw/zinc/24/30/93/384243093.db2.gz NERRMSLWFXBQFI-MRVPVSSYSA-N 2 0 201.314 0.086 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000644164135 384247514 /nfs/dbraw/zinc/24/75/14/384247514.db2.gz WSOFENUWRJYXCB-GHMZBOCLSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)C1([NH3+])CCCCC1 ZINC000648144399 384248283 /nfs/dbraw/zinc/24/82/83/384248283.db2.gz YDDYEGKIDXYTTI-SNVBAGLBSA-N 2 0 227.352 0.892 20 0 BCADRP CC(C)[NH2+]C[C@H]1CCCCN1CCO ZINC000082651694 384251504 /nfs/dbraw/zinc/25/15/04/384251504.db2.gz QMPHRQHNAPTDJR-LLVKDONJSA-N 2 0 200.326 0.831 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1Cc1cncn1C ZINC000560614190 384255902 /nfs/dbraw/zinc/25/59/02/384255902.db2.gz BLYVARHRLRDISH-NSHDSACASA-N 2 0 222.336 0.946 20 0 BCADRP C[C@@H]([NH3+])C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000309419953 384259685 /nfs/dbraw/zinc/25/96/85/384259685.db2.gz JSRPWSHJEHBYNT-JGVFFNPUSA-N 2 0 207.277 0.992 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000187573359 384272620 /nfs/dbraw/zinc/27/26/20/384272620.db2.gz SABIUNKPAKBEAT-QWRGUYRKSA-N 2 0 241.379 0.818 20 0 BCADRP COC(=O)[C@H](C)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228546374 384273079 /nfs/dbraw/zinc/27/30/79/384273079.db2.gz FKYTXVFCGSVHOO-UKKRHICBSA-N 2 0 226.320 0.607 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCCC1CC[NH+](C)CC1 ZINC000187573475 384273997 /nfs/dbraw/zinc/27/39/97/384273997.db2.gz NSMQVURSUXATMF-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000647506737 384308073 /nfs/dbraw/zinc/30/80/73/384308073.db2.gz BCJGYOMFTSRZCK-TUAOUCFPSA-N 2 0 227.352 0.034 20 0 BCADRP C[NH+]1CCC(CNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000335525142 384308484 /nfs/dbraw/zinc/30/84/84/384308484.db2.gz FQJNPTRJQAUPOI-UHFFFAOYSA-N 2 0 225.336 0.054 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCC[NH+]1CCCCC1 ZINC000133767963 384310875 /nfs/dbraw/zinc/31/08/75/384310875.db2.gz QOWNPBIITJSKBO-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)CO1 ZINC000401937468 384313826 /nfs/dbraw/zinc/31/38/26/384313826.db2.gz CXPVYJBADZEOSL-WDEREUQCSA-N 2 0 228.336 0.210 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)CO1 ZINC000401937466 384314073 /nfs/dbraw/zinc/31/40/73/384314073.db2.gz CXPVYJBADZEOSL-MNOVXSKESA-N 2 0 228.336 0.210 20 0 BCADRP C[C@H](C[NH2+][C@@H]1CO[C@H](C)C1)C[NH+](C)C ZINC000401936146 384314439 /nfs/dbraw/zinc/31/44/39/384314439.db2.gz MSJFKHRPOADUNF-MXWKQRLJSA-N 2 0 200.326 0.951 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000647507242 384314474 /nfs/dbraw/zinc/31/44/74/384314474.db2.gz MHKVOUOOVQLBRA-JQWIXIFHSA-N 2 0 227.352 0.034 20 0 BCADRP CC1(C)[C@H]([NH2+]CCN2CCCC2=O)C[C@@H]1[NH3+] ZINC000405429530 384317525 /nfs/dbraw/zinc/31/75/25/384317525.db2.gz IZPBSHAQFOLWQL-VHSXEESVSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H](C(N)=O)[NH+]1CCC(CC[NH2+]C)CC1 ZINC000069730508 384317835 /nfs/dbraw/zinc/31/78/35/384317835.db2.gz TUKAORZQACGHLE-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP CO[C@@]1(C[NH2+]CCCC[NH+](C)C)CCOC1 ZINC000401946312 384317887 /nfs/dbraw/zinc/31/78/87/384317887.db2.gz WGUXLNAZAFKZFK-GFCCVEGCSA-N 2 0 230.352 0.723 20 0 BCADRP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH2+]CC1 ZINC000223094791 384292231 /nfs/dbraw/zinc/29/22/31/384292231.db2.gz WUYBCLRWGWYGFI-SRVKXCTJSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000083219228 384293945 /nfs/dbraw/zinc/29/39/45/384293945.db2.gz LLXZYRHARDUHEA-WAAKLRNESA-N 2 0 212.337 0.830 20 0 BCADRP C[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370773194 384294165 /nfs/dbraw/zinc/29/41/65/384294165.db2.gz NAVSNAVGFMAKOW-FIQHERPVSA-N 2 0 237.347 0.276 20 0 BCADRP C[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370773193 384294265 /nfs/dbraw/zinc/29/42/65/384294265.db2.gz NAVSNAVGFMAKOW-BJDJZHNGSA-N 2 0 237.347 0.276 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647506519 384295143 /nfs/dbraw/zinc/29/51/43/384295143.db2.gz MJLVHAGLJSWUBE-WOPDTQHZSA-N 2 0 229.368 0.408 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647506517 384295302 /nfs/dbraw/zinc/29/53/02/384295302.db2.gz MJLVHAGLJSWUBE-SDDRHHMPSA-N 2 0 229.368 0.408 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000335494402 384299778 /nfs/dbraw/zinc/29/97/78/384299778.db2.gz GAJMPEXXHBBXDP-LLVKDONJSA-N 2 0 225.336 0.278 20 0 BCADRP [NH3+][C@@H]1Cc2ccccc2N(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000648179180 384300322 /nfs/dbraw/zinc/30/03/22/384300322.db2.gz ONQDVFAOXDXHPA-VXGBXAGGSA-N 2 0 245.326 0.655 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000237589501 384303189 /nfs/dbraw/zinc/30/31/89/384303189.db2.gz FKNVQCUKBXYISZ-MXWKQRLJSA-N 2 0 237.347 0.337 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000648179448 384336310 /nfs/dbraw/zinc/33/63/10/384336310.db2.gz WNEDAXINDZMJTG-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP [NH3+]C1(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000083834090 384336793 /nfs/dbraw/zinc/33/67/93/384336793.db2.gz PJEBAKOGTPSNJR-UHFFFAOYSA-N 2 0 211.309 0.080 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000648179588 384344881 /nfs/dbraw/zinc/34/48/81/384344881.db2.gz IEILVIOVLBFASC-DDHJBXDOSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)CCCC[NH3+])C[C@H]1C[NH3+] ZINC000648179697 384349758 /nfs/dbraw/zinc/34/97/58/384349758.db2.gz SKTRYGXJFUCDRP-IJLUTSLNSA-N 2 0 241.379 0.947 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000069792111 384350133 /nfs/dbraw/zinc/35/01/33/384350133.db2.gz SPCGXLOLACSIRP-JTQLQIEISA-N 2 0 225.336 0.054 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1CC[N@H+](C)C[C@H]1C ZINC000300354968 384355893 /nfs/dbraw/zinc/35/58/93/384355893.db2.gz LAJDIELQEJRPFV-VXGBXAGGSA-N 2 0 213.369 0.996 20 0 BCADRP C[NH2+]CCC(=O)N1CCNC[C@H]1c1ccncc1 ZINC000564993128 384362924 /nfs/dbraw/zinc/36/29/24/384362924.db2.gz XYGPVJVPESPTLB-LBPRGKRZSA-N 2 0 248.330 0.164 20 0 BCADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C)C2)CC1 ZINC000335558309 384323348 /nfs/dbraw/zinc/32/33/48/384323348.db2.gz AVFLDLVFBZWUHW-GFCCVEGCSA-N 2 0 239.363 0.680 20 0 BCADRP CCO[C@@H]1C[N@H+](CCc2cn[nH]c2)C[C@H]1C[NH3+] ZINC000405529989 384405645 /nfs/dbraw/zinc/40/56/45/384405645.db2.gz MHHVWRLXSWGQSV-VXGBXAGGSA-N 2 0 238.335 0.248 20 0 BCADRP [NH3+][C@@H](C(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000237847711 384410672 /nfs/dbraw/zinc/41/06/72/384410672.db2.gz AIFUPRAHAZPEPW-NWDGAFQWSA-N 2 0 233.315 0.555 20 0 BCADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C(C)(C)C ZINC000516861286 384411514 /nfs/dbraw/zinc/41/15/14/384411514.db2.gz KUVQJKJRVRNATR-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP C[NH+](C)C1CN(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000334273872 384426880 /nfs/dbraw/zinc/42/68/80/384426880.db2.gz ZWACVOYBTYYICA-UHFFFAOYSA-N 2 0 248.330 0.923 20 0 BCADRP CCO[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000405541816 384420134 /nfs/dbraw/zinc/42/01/34/384420134.db2.gz SNLHWMNTXRMFDC-JHJVBQTASA-N 2 0 242.363 0.851 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CCCC[NH2+]1 ZINC000237770003 384376150 /nfs/dbraw/zinc/37/61/50/384376150.db2.gz PQTTWQPRUXKRCD-NTZNESFSSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@]1(CN2CCC[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000335603756 384376371 /nfs/dbraw/zinc/37/63/71/384376371.db2.gz USIVHMHXAXOQEG-NEPJUHHUSA-N 2 0 211.353 0.657 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(C)(C)C[NH3+] ZINC000335608321 384383976 /nfs/dbraw/zinc/38/39/76/384383976.db2.gz XVPLIEHGIUBFIB-RKDXNWHRSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H](CC[NH3+])C(F)F)CC[N@@H+]1C ZINC000648145977 384455090 /nfs/dbraw/zinc/45/50/90/384455090.db2.gz GZZBZLPHDZCPOF-IWSPIJDZSA-N 2 0 249.305 0.425 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248631216 384434049 /nfs/dbraw/zinc/43/40/49/384434049.db2.gz PDUURGHFJVLASK-BJDJZHNGSA-N 2 0 239.363 0.556 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C[NH+](C)C)C1 ZINC000175399666 384436891 /nfs/dbraw/zinc/43/68/91/384436891.db2.gz KAODSIGJUYDHDF-LLVKDONJSA-N 2 0 227.352 0.491 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)N(C)C)C1 ZINC000082645451 384438663 /nfs/dbraw/zinc/43/86/63/384438663.db2.gz XYBLZQQHYSDWIU-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180586 384476130 /nfs/dbraw/zinc/47/61/30/384476130.db2.gz ITIPILGKDUMDGG-MNOVXSKESA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000359052626 384482861 /nfs/dbraw/zinc/48/28/61/384482861.db2.gz GHKYFKNQNUYNJC-UNXYVOJBSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH3+])C2)CC[N@@H+]1C ZINC000648146810 384496064 /nfs/dbraw/zinc/49/60/64/384496064.db2.gz ZVODAMKJONKPBD-AGVGLQIMSA-N 2 0 225.336 0.275 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000357410988 384497087 /nfs/dbraw/zinc/49/70/87/384497087.db2.gz JOVSNKZHUWBVRA-UTUOFQBUSA-N 2 0 239.363 0.680 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCn1cccn1 ZINC000163726718 384499547 /nfs/dbraw/zinc/49/95/47/384499547.db2.gz OVYVEFKIJPVTPL-VXGBXAGGSA-N 2 0 222.336 0.990 20 0 BCADRP CN(C(=O)CCC(C)(C)[NH3+])C1(C[NH3+])CCC1 ZINC000648147048 384503633 /nfs/dbraw/zinc/50/36/33/384503633.db2.gz ABDCGOOTTWDHQY-UHFFFAOYSA-N 2 0 227.352 0.844 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC[NH+](C)C ZINC000037481170 384504080 /nfs/dbraw/zinc/50/40/80/384504080.db2.gz NLIDAHSZGVWGRO-SNVBAGLBSA-N 2 0 201.314 0.182 20 0 BCADRP COCCOCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400464266 533067625 /nfs/dbraw/zinc/06/76/25/533067625.db2.gz SLLQXJQSXFLEOJ-RYUDHWBXSA-N 2 0 230.352 0.770 20 0 BCADRP COCCOCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400464267 533068198 /nfs/dbraw/zinc/06/81/98/533068198.db2.gz SLLQXJQSXFLEOJ-VXGBXAGGSA-N 2 0 230.352 0.770 20 0 BCADRP C[NH+](C)C1(C(=O)NCC[NH3+])Cc2ccccc2C1 ZINC000363491241 384487950 /nfs/dbraw/zinc/48/79/50/384487950.db2.gz WCDQAEZYHUIFBY-UHFFFAOYSA-N 2 0 247.342 0.161 20 0 BCADRP CCNC(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397343496 384534283 /nfs/dbraw/zinc/53/42/83/384534283.db2.gz WVNGFJPWJUQAJQ-DCAQKATOSA-N 2 0 227.352 0.428 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)[C@H]2C1 ZINC000648169115 384518596 /nfs/dbraw/zinc/51/85/96/384518596.db2.gz YEQXMUFETLDFFY-IEECTRCBSA-N 2 0 249.358 0.004 20 0 BCADRP C[C@@H]1[C@H](C(=O)N(C)C2(C[NH3+])CCC2)CC[N@@H+]1C ZINC000648147276 384522490 /nfs/dbraw/zinc/52/24/90/384522490.db2.gz BGXOZGNTIGUNNV-GHMZBOCLSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+]C1(C(=O)NCCC[C@H]2CCC[NH2+]2)CCCC1 ZINC000648147387 384527918 /nfs/dbraw/zinc/52/79/18/384527918.db2.gz UATZSJIXCBTHIP-LLVKDONJSA-N 2 0 239.363 0.906 20 0 BCADRP C[C@H](C[NH2+][C@@H]1CO[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000647180386 384533297 /nfs/dbraw/zinc/53/32/97/384533297.db2.gz VULIAPHYDGMCNP-UPJWGTAASA-N 2 0 241.379 0.389 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000648177273 384542985 /nfs/dbraw/zinc/54/29/85/384542985.db2.gz QLPUFIFWMOBGPX-ZZBQETCWSA-N 2 0 237.347 0.180 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000648177260 384544176 /nfs/dbraw/zinc/54/41/76/384544176.db2.gz PPMHCMAEDKUXMQ-SECBINFHSA-N 2 0 229.368 0.994 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)C(N)=O)CC[N@@H+]1C ZINC000183639542 384544392 /nfs/dbraw/zinc/54/43/92/384544392.db2.gz KGAJNSNGQRRPAF-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000449083081 384549388 /nfs/dbraw/zinc/54/93/88/384549388.db2.gz ALDBCGSSZPHOCF-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000354406193 384550286 /nfs/dbraw/zinc/55/02/86/384550286.db2.gz JTPULUJFMYVBIX-NEPJUHHUSA-N 2 0 242.363 0.458 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000262772543 384556031 /nfs/dbraw/zinc/55/60/31/384556031.db2.gz MOYWJKUGABZMNW-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H](C)C[NH3+])[NH+](C)C ZINC000236719962 384557490 /nfs/dbraw/zinc/55/74/90/384557490.db2.gz LKLIFBYWLBFRAT-NXEZZACHSA-N 2 0 215.341 0.284 20 0 BCADRP CC[C@H](C)[C@H](O)C[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000647523846 384557852 /nfs/dbraw/zinc/55/78/52/384557852.db2.gz MXDURJFMMJJZIK-CYZMBNFOSA-N 2 0 244.379 0.438 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C[N@H+](C)C(C)C ZINC000236759005 384561975 /nfs/dbraw/zinc/56/19/75/384561975.db2.gz HAMRSSHYFTYRBW-UHFFFAOYSA-N 2 0 229.368 0.960 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C[N@H+](C)C(C)C ZINC000236841265 384590251 /nfs/dbraw/zinc/59/02/51/384590251.db2.gz IEMZVEDCPAOTMG-LLVKDONJSA-N 2 0 229.368 0.816 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1CCCC[NH2+]1 ZINC000236763944 384574275 /nfs/dbraw/zinc/57/42/75/384574275.db2.gz IGIHOGLBEDLOEK-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC([NH2+]C)CC1 ZINC000236837458 384590465 /nfs/dbraw/zinc/59/04/65/384590465.db2.gz DRNIROXOVLFXFA-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000517932836 384578300 /nfs/dbraw/zinc/57/83/00/384578300.db2.gz YRYXKEWBZGPSST-TUAOUCFPSA-N 2 0 239.363 0.490 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000236843088 384590897 /nfs/dbraw/zinc/59/08/97/384590897.db2.gz IOGLUQNORGYFMR-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)C1CC[NH2+]CC1 ZINC000236836977 384590920 /nfs/dbraw/zinc/59/09/20/384590920.db2.gz BMNAHWJXIXVTAZ-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP C[NH+](C)CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000300845304 384602717 /nfs/dbraw/zinc/60/27/17/384602717.db2.gz KRILWAQNSVJWFR-QMMMGPOBSA-N 2 0 201.314 0.038 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000309786998 384609187 /nfs/dbraw/zinc/60/91/87/384609187.db2.gz OIYXQJZKXPUITQ-AEJSXWLSSA-N 2 0 213.325 0.323 20 0 BCADRP CC[C@@H](O)C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000647529775 384613121 /nfs/dbraw/zinc/61/31/21/384613121.db2.gz AZZRAUHBBUDMAO-NWDGAFQWSA-N 2 0 230.352 0.194 20 0 BCADRP CC(=O)NCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000309792108 384613260 /nfs/dbraw/zinc/61/32/60/384613260.db2.gz PKEMBASMOAHNAM-CMPLNLGQSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CCC[NH3+] ZINC000309760328 384592487 /nfs/dbraw/zinc/59/24/87/384592487.db2.gz IORLEGWLXUNSKY-WCABBAIRSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCCCC[NH3+] ZINC000040832503 384595727 /nfs/dbraw/zinc/59/57/27/384595727.db2.gz YVXUAWCVNPXTEG-UHFFFAOYSA-N 2 0 201.314 0.230 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000449597391 384664533 /nfs/dbraw/zinc/66/45/33/384664533.db2.gz FCJIWGLDVACMJV-QWHCGFSZSA-N 2 0 247.342 0.554 20 0 BCADRP c1ncn([C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000647538210 384665824 /nfs/dbraw/zinc/66/58/24/384665824.db2.gz JCSDBFATADXDGK-NWDGAFQWSA-N 2 0 235.335 0.525 20 0 BCADRP c1ncn([C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000647538317 384668825 /nfs/dbraw/zinc/66/88/25/384668825.db2.gz MXBRSVYATVUGGC-GFCCVEGCSA-N 2 0 235.335 0.525 20 0 BCADRP CN(C(=O)CCC(C)(C)[NH3+])C1CC[NH2+]CC1 ZINC000647671890 384670565 /nfs/dbraw/zinc/67/05/65/384670565.db2.gz YEGXZSWIXZCEFO-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[C@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000647531559 384634168 /nfs/dbraw/zinc/63/41/68/384634168.db2.gz FMSBKXDFCNKVSZ-CHWSQXEVSA-N 2 0 225.380 0.916 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]1)NC[C@H]1CCCC[NH2+]1 ZINC000258705734 384635914 /nfs/dbraw/zinc/63/59/14/384635914.db2.gz UVJALTRONOGWOF-GHMZBOCLSA-N 2 0 240.351 0.180 20 0 BCADRP C[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363599735 384650183 /nfs/dbraw/zinc/65/01/83/384650183.db2.gz GLURLAQGZJJBAI-GHMZBOCLSA-N 2 0 225.336 0.291 20 0 BCADRP C[N@H+](CCOCC[NH3+])Cc1cccnc1 ZINC000086435400 384651383 /nfs/dbraw/zinc/65/13/83/384651383.db2.gz ZBYYGDOEHBFWMM-UHFFFAOYSA-N 2 0 209.293 0.489 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449595559 384653392 /nfs/dbraw/zinc/65/33/92/384653392.db2.gz UPIPMFDCNKRXJO-CIUDSAMLSA-N 2 0 201.314 0.212 20 0 BCADRP C[C@@H](CC(=O)NCC1C[NH2+]C1)C1CC[NH2+]CC1 ZINC000646901551 384654869 /nfs/dbraw/zinc/65/48/69/384654869.db2.gz DVOIBFMJBFTGDZ-JTQLQIEISA-N 2 0 239.363 0.348 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000449597389 384662437 /nfs/dbraw/zinc/66/24/37/384662437.db2.gz FCJIWGLDVACMJV-OLZOCXBDSA-N 2 0 247.342 0.554 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444175834 384680931 /nfs/dbraw/zinc/68/09/31/384680931.db2.gz MFUBIUSLUBFCLG-SCDSUCTJSA-N 2 0 249.358 0.339 20 0 BCADRP C[C@]1(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)CC[NH2+]C1 ZINC000647542283 384705798 /nfs/dbraw/zinc/70/57/98/384705798.db2.gz DRFHPAFWENVEOJ-AVGNSLFASA-N 3 0 223.364 0.670 20 0 BCADRP Cc1cc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)nn1C ZINC000647542321 384705906 /nfs/dbraw/zinc/70/59/06/384705906.db2.gz TWKXAGGTIPLCHZ-WCQYABFASA-N 2 0 234.347 0.912 20 0 BCADRP CC(C)[C@@H]1CN(C)CCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000648155498 384727484 /nfs/dbraw/zinc/72/74/84/384727484.db2.gz FWXRCUMDZQOMGH-NEPJUHHUSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1CN(Cc2cncn2C)CC[C@@H]1[NH3+] ZINC000086884194 384711058 /nfs/dbraw/zinc/71/10/58/384711058.db2.gz KRZXOXFHGNEYSS-KOLCDFICSA-N 2 0 208.309 0.589 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC[NH2+]C1 ZINC000368565551 384776003 /nfs/dbraw/zinc/77/60/03/384776003.db2.gz AZWGXHORMDIGDZ-GVXVVHGQSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]CCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000107213584 384780728 /nfs/dbraw/zinc/78/07/28/384780728.db2.gz OXZXDVBXTHXENP-LBPRGKRZSA-N 2 0 211.353 0.753 20 0 BCADRP O[C@H](C[NH2+]C[C@H](O)C1CCC1)C[NH+]1CCCC1 ZINC000316073836 384728629 /nfs/dbraw/zinc/72/86/29/384728629.db2.gz AGDRMYDVUDTJHU-OLZOCXBDSA-N 2 0 242.363 0.194 20 0 BCADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546138 384728811 /nfs/dbraw/zinc/72/88/11/384728811.db2.gz AMGFQMPPXOODSY-FDYHWXHSSA-N 3 0 225.380 0.947 20 0 BCADRP CC(C)C[C@H](C[NH3+])N[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647546509 384729400 /nfs/dbraw/zinc/72/94/00/384729400.db2.gz NBJYKNHHJGTFKU-QJPTWQEYSA-N 2 0 213.369 0.947 20 0 BCADRP C[C@]1(CNC[C@@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000647546529 384729648 /nfs/dbraw/zinc/72/96/48/384729648.db2.gz OBRCRXWLKGLBFA-RYUDHWBXSA-N 2 0 211.353 0.718 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000236874801 384729847 /nfs/dbraw/zinc/72/98/47/384729847.db2.gz WWWRYYREMVSOPO-VXGBXAGGSA-N 2 0 239.363 0.396 20 0 BCADRP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@@H]3CCCNC3)CC[C@H]12 ZINC000647546841 384732730 /nfs/dbraw/zinc/73/27/30/384732730.db2.gz DHLZCDWZJQAELI-FDYHWXHSSA-N 2 0 223.364 0.716 20 0 BCADRP C[C@@H]1CNC[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000647546642 384732815 /nfs/dbraw/zinc/73/28/15/384732815.db2.gz TUJVLDPSDZZTQA-TUAOUCFPSA-N 2 0 211.353 0.574 20 0 BCADRP C[C@@H](N[C@H]1C[NH2+]C[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000647546727 384733981 /nfs/dbraw/zinc/73/39/81/384733981.db2.gz YBECZBSTBQTWPA-UMSGYPCISA-N 2 0 225.380 0.962 20 0 BCADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546798 384734352 /nfs/dbraw/zinc/73/43/52/384734352.db2.gz BTIAGDVDDZHGRM-MROQNXINSA-N 3 0 225.380 0.962 20 0 BCADRP C[C@@H]1CNC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000647546640 384734374 /nfs/dbraw/zinc/73/43/74/384734374.db2.gz TUJVLDPSDZZTQA-SDDRHHMPSA-N 2 0 211.353 0.574 20 0 BCADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000647546786 384734462 /nfs/dbraw/zinc/73/44/62/384734462.db2.gz BEDZUIQJUJYMJX-IJLUTSLNSA-N 3 0 223.364 0.846 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000647547416 384735841 /nfs/dbraw/zinc/73/58/41/384735841.db2.gz VOPCNIACCURKTO-YNEHKIRRSA-N 2 0 225.380 0.964 20 0 BCADRP C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000647546986 384736068 /nfs/dbraw/zinc/73/60/68/384736068.db2.gz JLOBRQRQYKPOTH-NWDGAFQWSA-N 2 0 211.353 0.718 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647547130 384736511 /nfs/dbraw/zinc/73/65/11/384736511.db2.gz OJKANJPSDUKVAN-QCNOEVLYSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647547395 384737724 /nfs/dbraw/zinc/73/77/24/384737724.db2.gz VBKSSLXSFUVILU-HHHUOAJASA-N 3 0 211.353 0.700 20 0 BCADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647547398 384738074 /nfs/dbraw/zinc/73/80/74/384738074.db2.gz VBKSSLXSFUVILU-UHFZAUJKSA-N 3 0 211.353 0.700 20 0 BCADRP COC[C@]1(CN[C@@H]2C[NH2+]C[C@H](C)C2)CCC[NH2+]1 ZINC000647547517 384739132 /nfs/dbraw/zinc/73/91/32/384739132.db2.gz YGMSQIQZWPRTLH-FRRDWIJNSA-N 2 0 241.379 0.343 20 0 BCADRP OCC1([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647548902 384740613 /nfs/dbraw/zinc/74/06/13/384740613.db2.gz ZYOFHIWVPXANIS-OUAUKWLOSA-N 2 0 210.321 0.489 20 0 BCADRP COC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])OC ZINC000300386511 384743174 /nfs/dbraw/zinc/74/31/74/384743174.db2.gz ZDLVHQVBAORZDT-GRYCIOLGSA-N 2 0 230.352 0.755 20 0 BCADRP F[C@@H]1CN[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647548190 384749935 /nfs/dbraw/zinc/74/99/35/384749935.db2.gz YLYCUSIWFBNNIU-OFTGVCEQSA-N 2 0 241.354 0.664 20 0 BCADRP C[NH+](C)CCCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000042165696 384753770 /nfs/dbraw/zinc/75/37/70/384753770.db2.gz ZJSJMGDGTLSJFK-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000648187361 384764788 /nfs/dbraw/zinc/76/47/88/384764788.db2.gz OWBJEWQXUUCSLA-AXFHLTTASA-N 2 0 237.347 0.515 20 0 BCADRP COC(=O)CCCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601327208 384765952 /nfs/dbraw/zinc/76/59/52/384765952.db2.gz SLWOVJPURIINBS-GHMZBOCLSA-N 2 0 228.336 0.856 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368381330 384825178 /nfs/dbraw/zinc/82/51/78/384825178.db2.gz XNVNLUYSKNLHMS-CMPLNLGQSA-N 2 0 239.363 0.762 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368382923 384831746 /nfs/dbraw/zinc/83/17/46/384831746.db2.gz BLHCZHVSOZRBSI-YTWAJWBKSA-N 2 0 225.336 0.180 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368382920 384832165 /nfs/dbraw/zinc/83/21/65/384832165.db2.gz BLHCZHVSOZRBSI-LMLFDSFASA-N 2 0 225.336 0.180 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000648148127 384833600 /nfs/dbraw/zinc/83/36/00/384833600.db2.gz KTPYUISCMJNMBY-ZJUUUORDSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]C2CC2)CC[N@@H+]1C ZINC000648203660 384834139 /nfs/dbraw/zinc/83/41/39/384834139.db2.gz XPBDPFRKKZAFBE-ZYHUDNBSSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C2([NH3+])CC2)C1 ZINC000236900086 384788130 /nfs/dbraw/zinc/78/81/30/384788130.db2.gz WKVAFKDLIZUCSB-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP COC(=O)CCCN1C[C@H]([NH3+])C[C@H]1C ZINC000601330062 384789346 /nfs/dbraw/zinc/78/93/46/384789346.db2.gz PXAFBCYZEFPZAN-RKDXNWHRSA-N 2 0 200.282 0.361 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C2([NH3+])CC2)C1 ZINC000236902879 384799999 /nfs/dbraw/zinc/79/99/99/384799999.db2.gz WKVAFKDLIZUCSB-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[NH2+]CC1CC1 ZINC000648188127 384800387 /nfs/dbraw/zinc/80/03/87/384800387.db2.gz TWBMOAOEQBVWKZ-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP CC1CC[NH+](CCNC(=O)C2([NH3+])CC2)CC1 ZINC000083835318 384800816 /nfs/dbraw/zinc/80/08/16/384800816.db2.gz CGMMETFXMFJEFN-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)CCC(C)(C)[NH3+] ZINC000648187868 384800863 /nfs/dbraw/zinc/80/08/63/384800863.db2.gz AFHGLMLJHZAYGV-BDAKNGLRSA-N 2 0 215.341 0.746 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000648188010 384801193 /nfs/dbraw/zinc/80/11/93/384801193.db2.gz LAGKJCJKYFVSGU-NTZNESFSSA-N 2 0 249.358 0.798 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C[NH2+]C1CC1 ZINC000557190355 384871896 /nfs/dbraw/zinc/87/18/96/384871896.db2.gz MBUQXHCRWCRQEI-SECBINFHSA-N 2 0 213.325 0.228 20 0 BCADRP c1cn2c(cccc2C[NH2+]C2COCCOC2)n1 ZINC000644422463 384875285 /nfs/dbraw/zinc/87/52/85/384875285.db2.gz FUFGZUXTMHCCJS-UHFFFAOYSA-N 2 0 247.298 0.839 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000370798440 384880727 /nfs/dbraw/zinc/88/07/27/384880727.db2.gz NVCMBTQMNIVZHF-ONGXEEELSA-N 2 0 231.315 0.178 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648159331 384839331 /nfs/dbraw/zinc/83/93/31/384839331.db2.gz XNQYFTQHBUIWSR-GDNZZTSVSA-N 2 0 239.363 0.252 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648205748 384840095 /nfs/dbraw/zinc/84/00/95/384840095.db2.gz NGQZAHZLMQIWOC-LLVKDONJSA-N 2 0 239.363 0.777 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648205614 384840673 /nfs/dbraw/zinc/84/06/73/384840673.db2.gz JTMKLIZWXOTZDJ-NXEZZACHSA-N 2 0 225.336 0.515 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449661080 384841945 /nfs/dbraw/zinc/84/19/45/384841945.db2.gz ZAMNIGUKKGZCCA-WPRPVWTQSA-N 2 0 249.305 0.617 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648205615 384842100 /nfs/dbraw/zinc/84/21/00/384842100.db2.gz JTMKLIZWXOTZDJ-ZJUUUORDSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]1 ZINC000423379334 384849462 /nfs/dbraw/zinc/84/94/62/384849462.db2.gz XEXITHFQPPIKLN-IRCOFANPSA-N 2 0 211.353 0.986 20 0 BCADRP C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)[C@H]1CCC[NH2+]1 ZINC000423379333 384849756 /nfs/dbraw/zinc/84/97/56/384849756.db2.gz XEXITHFQPPIKLN-FIQHERPVSA-N 2 0 211.353 0.986 20 0 BCADRP C[C@@]1(CN2CC[C@@](C)(C[NH3+])C2)CC[NH2+]C1 ZINC000309511833 384850633 /nfs/dbraw/zinc/85/06/33/384850633.db2.gz XOCBIHAPFAZLMS-NWDGAFQWSA-N 2 0 211.353 0.657 20 0 BCADRP C[N@H+](C[C@H](O)CN1CCC[C@@H](CO)C1)C1CC1 ZINC000310135327 384851886 /nfs/dbraw/zinc/85/18/86/384851886.db2.gz ZDXBHLBLMRYKGX-YPMHNXCESA-N 2 0 242.363 0.146 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)C[C@@H](C)[NH3+] ZINC000336673019 384853929 /nfs/dbraw/zinc/85/39/29/384853929.db2.gz OHVSEOKUPGFRAB-KOLCDFICSA-N 2 0 215.341 0.603 20 0 BCADRP CC[C@H](COC)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151874874 384855525 /nfs/dbraw/zinc/85/55/25/384855525.db2.gz OGLBOBLYUOKHFX-CYBMUJFWSA-N 2 0 244.379 0.705 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000557171469 384863431 /nfs/dbraw/zinc/86/34/31/384863431.db2.gz PXQAWTLHNGSSIC-NSHDSACASA-N 2 0 227.352 0.634 20 0 BCADRP C[N@H+](C[C@@H](O)CN[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000644548013 384951813 /nfs/dbraw/zinc/95/18/13/384951813.db2.gz KIQWOZGGVRVEMF-YPMHNXCESA-N 2 0 241.379 0.125 20 0 BCADRP [NH3+]C[C@@H](C(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000178531031 384957065 /nfs/dbraw/zinc/95/70/65/384957065.db2.gz NUSSYEPFHJLROF-WCQYABFASA-N 2 0 247.342 0.536 20 0 BCADRP CCN(CCO)CC[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000647202650 384904328 /nfs/dbraw/zinc/90/43/28/384904328.db2.gz JLGJXBQSOWYYJN-QWRGUYRKSA-N 2 0 216.325 0.068 20 0 BCADRP CCN(CCO)CC[NH2+][C@H]1CO[C@@H](C)C1 ZINC000647202651 384906761 /nfs/dbraw/zinc/90/67/61/384906761.db2.gz JLGJXBQSOWYYJN-WDEREUQCSA-N 2 0 216.325 0.068 20 0 BCADRP CC(C)C[C@H]([NH3+])c1noc(COCC[NH3+])n1 ZINC000647129993 384908167 /nfs/dbraw/zinc/90/81/67/384908167.db2.gz UUFGWWZPYNPLDQ-QMMMGPOBSA-N 2 0 228.296 0.591 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000156620948 384911250 /nfs/dbraw/zinc/91/12/50/384911250.db2.gz XVVOMLXIFLVAMB-WDEREUQCSA-N 2 0 239.363 0.524 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000106363710 384912381 /nfs/dbraw/zinc/91/23/81/384912381.db2.gz XDKBYTNDIUODCN-JTQLQIEISA-N 2 0 213.325 0.101 20 0 BCADRP O[C@H](C[NH2+][C@@H]1CCCC[C@H]1O)C[NH+]1CCCC1 ZINC000251291207 384914368 /nfs/dbraw/zinc/91/43/68/384914368.db2.gz NREYEYKDUKTLQO-JHJVBQTASA-N 2 0 242.363 0.336 20 0 BCADRP [NH3+]C1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000647603263 384920408 /nfs/dbraw/zinc/92/04/08/384920408.db2.gz KZUGAGGAUYKUMX-SECBINFHSA-N 2 0 247.289 0.181 20 0 BCADRP CCc1nccn1[C@@H](C)CC(=O)NCC[NH3+] ZINC000647605524 384929208 /nfs/dbraw/zinc/92/92/08/384929208.db2.gz QFPDBBUZXSQXNM-VIFPVBQESA-N 2 0 224.308 0.472 20 0 BCADRP CC(C)[C@@H]1CNCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000257773223 384929719 /nfs/dbraw/zinc/92/97/19/384929719.db2.gz DSKSEXCKEKXRMT-STQMWFEESA-N 2 0 225.380 0.916 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NCCC[NH+]1CCCC1 ZINC000127677186 384931163 /nfs/dbraw/zinc/93/11/63/384931163.db2.gz NQSYNFDFNRMBSI-UHFFFAOYSA-N 2 0 248.330 0.880 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000647605740 384931290 /nfs/dbraw/zinc/93/12/90/384931290.db2.gz TYLSYNZJPFSLRA-MWLCHTKSSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000226086335 384932320 /nfs/dbraw/zinc/93/23/20/384932320.db2.gz YRGDUHRTSZKUQO-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]CCCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000258815909 384940320 /nfs/dbraw/zinc/94/03/20/384940320.db2.gz TVMLZNHWYUETET-GFCCVEGCSA-N 3 0 213.369 0.870 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000156741899 384945539 /nfs/dbraw/zinc/94/55/39/384945539.db2.gz IVOOXPXOLGONRH-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC(C[NH3+])CC1)[C@H](C)[NH3+] ZINC000564947013 384965008 /nfs/dbraw/zinc/96/50/08/384965008.db2.gz HZDBEYDVQXZXSZ-JQWIXIFHSA-N 2 0 241.379 0.803 20 0 BCADRP [NH3+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000564947142 384965952 /nfs/dbraw/zinc/96/59/52/384965952.db2.gz VUHORRMBOKDRCU-UHFFFAOYSA-N 2 0 218.260 0.413 20 0 BCADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](C)O)CC1 ZINC000644563038 384968116 /nfs/dbraw/zinc/96/81/16/384968116.db2.gz QMYVXHVTJSXJMY-QWHCGFSZSA-N 2 0 243.395 0.230 20 0 BCADRP CCOC[C@@H]1CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000565775441 384977922 /nfs/dbraw/zinc/97/79/22/384977922.db2.gz SYTOZADCVMCXMK-CYBMUJFWSA-N 2 0 241.379 0.250 20 0 BCADRP CSCC[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000156822114 384981327 /nfs/dbraw/zinc/98/13/27/384981327.db2.gz XCAPXYMEASZHJT-GFCCVEGCSA-N 2 0 245.436 0.965 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000156824364 384985309 /nfs/dbraw/zinc/98/53/09/384985309.db2.gz WMZDSUPPKAJHAR-QJPTWQEYSA-N 2 0 230.352 0.314 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000156824629 384985910 /nfs/dbraw/zinc/98/59/10/384985910.db2.gz WMZDSUPPKAJHAR-TUAOUCFPSA-N 2 0 230.352 0.314 20 0 BCADRP CCCC[NH+]1CCC(NC(=O)[C@H](C)[NH3+])CC1 ZINC000037005026 384988506 /nfs/dbraw/zinc/98/85/06/384988506.db2.gz NXOMNXGKHFXOLV-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)c2c[nH+]ccc2N)C1 ZINC000128092860 384994329 /nfs/dbraw/zinc/99/43/29/384994329.db2.gz CYIBEDAZVCZHHP-JTQLQIEISA-N 2 0 248.330 0.830 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C1C[NH2+]C1 ZINC000164474088 384997153 /nfs/dbraw/zinc/99/71/53/384997153.db2.gz PQBYOKNTKILGRZ-GXSJLCMTSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@H](CNC(=O)C(C)(C)C[NH3+])[N@H+](C)C1CC1 ZINC000226398883 385007531 /nfs/dbraw/zinc/00/75/31/385007531.db2.gz IAOMCVWFVBYGKY-SECBINFHSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CCC[NH2+]C ZINC000226396394 385009070 /nfs/dbraw/zinc/00/90/70/385009070.db2.gz MAHYQLDDQLGGRV-LLVKDONJSA-N 2 0 229.368 0.833 20 0 BCADRP CC[C@@H](O)C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000644625727 385019980 /nfs/dbraw/zinc/01/99/80/385019980.db2.gz NPUZOLGMJPBRSE-NXEZZACHSA-N 2 0 209.293 0.558 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NCCCS(C)(=O)=O ZINC000404730397 385051861 /nfs/dbraw/zinc/05/18/61/385051861.db2.gz BPGNOCMDOWSMGD-IUCAKERBSA-N 2 0 234.365 0.137 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157032374 385053306 /nfs/dbraw/zinc/05/33/06/385053306.db2.gz YZAWMINZWHBKMT-NNYUYHANSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000644669051 385085173 /nfs/dbraw/zinc/08/51/73/385085173.db2.gz GBURKBASCGYWBD-GHMZBOCLSA-N 2 0 200.326 0.689 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)[NH+](C)C ZINC000646917150 385058617 /nfs/dbraw/zinc/05/86/17/385058617.db2.gz YLYFLQNXPHPMIS-GARJFASQSA-N 2 0 225.336 0.099 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000647640470 385064928 /nfs/dbraw/zinc/06/49/28/385064928.db2.gz LSXRBVUXAQYTKV-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)([NH3+])CCC(=O)NCC1CC[NH2+]CC1 ZINC000647640575 385067127 /nfs/dbraw/zinc/06/71/27/385067127.db2.gz RTKLVWCIMOQWDU-UHFFFAOYSA-N 2 0 227.352 0.620 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)[NH+](C)C ZINC000646937797 385068910 /nfs/dbraw/zinc/06/89/10/385068910.db2.gz SSPBDLUECQIRPY-TUAOUCFPSA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CCC[NH2+]CC2)CCC[NH2+]1 ZINC000364161537 385082526 /nfs/dbraw/zinc/08/25/26/385082526.db2.gz OSZMUEYDTUDMJR-WCQYABFASA-N 2 0 239.363 0.777 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccnc(C[NH3+])c2)[C@@H](C)C[NH2+]1 ZINC000564931835 385082628 /nfs/dbraw/zinc/08/26/28/385082628.db2.gz VCNLISKJAHLVHE-ZJUUUORDSA-N 2 0 248.330 0.363 20 0 BCADRP C[C@H](CC(=O)NCC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000156981748 385030935 /nfs/dbraw/zinc/03/09/35/385030935.db2.gz NKBUXQDENUBBRI-NEPJUHHUSA-N 2 0 241.379 0.690 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H](C)[NH3+] ZINC000423593185 385035291 /nfs/dbraw/zinc/03/52/91/385035291.db2.gz MLQNHNKTRQNJFD-KXNHARMFSA-N 2 0 241.379 0.992 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H](C)[NH3+] ZINC000423593184 385035524 /nfs/dbraw/zinc/03/55/24/385035524.db2.gz MLQNHNKTRQNJFD-KKOKHZNYSA-N 2 0 241.379 0.992 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C[C@H]1CCC[C@@H]1[NH3+] ZINC000340122797 385035751 /nfs/dbraw/zinc/03/57/51/385035751.db2.gz MTBYQMXTIJUYSW-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000644636748 385038047 /nfs/dbraw/zinc/03/80/47/385038047.db2.gz GYAJTEXYVPTTLZ-VOMCLLRMSA-N 2 0 212.337 0.974 20 0 BCADRP Cc1cnn(CCN2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000310406171 385044328 /nfs/dbraw/zinc/04/43/28/385044328.db2.gz OFRCXLWAZYWEHF-QWHCGFSZSA-N 2 0 234.347 0.733 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646985169 385110830 /nfs/dbraw/zinc/11/08/30/385110830.db2.gz RBPRHVJQTJQKFV-TUAOUCFPSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CCC[NH2+]CC1)[C@H](C)[NH3+] ZINC000646985292 385112046 /nfs/dbraw/zinc/11/20/46/385112046.db2.gz WYDLCMBBOKJPJG-SRVKXCTJSA-N 2 0 241.379 0.864 20 0 BCADRP CC[C@H]1CN(C(=O)C2(C)C[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647005486 385141659 /nfs/dbraw/zinc/14/16/59/385141659.db2.gz AMYXQRJRYZAAAO-UWVGGRQHSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646988317 385117440 /nfs/dbraw/zinc/11/74/40/385117440.db2.gz MCGNAMHMJOZKFC-NSHDSACASA-N 2 0 227.352 0.633 20 0 BCADRP O=C(CC1CC[NH2+]CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000646988501 385119605 /nfs/dbraw/zinc/11/96/05/385119605.db2.gz RPZSOYKFJIMSSW-GFCCVEGCSA-N 2 0 239.363 0.634 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC000646993156 385119612 /nfs/dbraw/zinc/11/96/12/385119612.db2.gz JPNBZOYPWGBOKU-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@]1(C(=O)N2CCC(C)([NH3+])CC2)CC[NH2+]C1 ZINC000646991999 385128102 /nfs/dbraw/zinc/12/81/02/385128102.db2.gz WEGXIRCQQMTOPE-NSHDSACASA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000646998180 385130921 /nfs/dbraw/zinc/13/09/21/385130921.db2.gz TURFOHNDNJAJON-MXWKQRLJSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@H]1CN(C(=O)[C@H]([NH3+])C(C)C)CC[C@H]1[NH3+] ZINC000647015764 385139588 /nfs/dbraw/zinc/13/95/88/385139588.db2.gz ZGLUGEZKZAMJRS-HBNTYKKESA-N 2 0 227.352 0.556 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000646953897 385085636 /nfs/dbraw/zinc/08/56/36/385085636.db2.gz KGVCOLUDQOWARP-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP O=C(CCC1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000050942134 385095731 /nfs/dbraw/zinc/09/57/31/385095731.db2.gz OICLKOQFGODYMF-UHFFFAOYSA-N 2 0 225.336 0.198 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC000530832001 385102937 /nfs/dbraw/zinc/10/29/37/385102937.db2.gz RYEJKSFMPHGGGY-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP CC[C@H]1CN(C(=O)CCC[NH2+]C)CC[C@@H]1[NH3+] ZINC000647015365 385141063 /nfs/dbraw/zinc/14/10/63/385141063.db2.gz OOKJLBZJLFZRDT-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000646976857 385105167 /nfs/dbraw/zinc/10/51/67/385105167.db2.gz YMMTWWNMIQIEAH-GFCCVEGCSA-N 2 0 237.347 0.507 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000646976691 385105919 /nfs/dbraw/zinc/10/59/19/385105919.db2.gz DIIQBKLVUCZOAC-GXSJLCMTSA-N 2 0 223.320 0.020 20 0 BCADRP C[N@H+](C[C@@H](O)C[NH3+])C[C@H]1CCC(F)(F)C1 ZINC000308820444 385191239 /nfs/dbraw/zinc/19/12/39/385191239.db2.gz BUCSCEMCEOFQOY-IUCAKERBSA-N 2 0 222.279 0.673 20 0 BCADRP [NH3+]C1(CC(=O)N[C@@H]2CC23CC[NH2+]CC3)CCC1 ZINC000647055187 385195908 /nfs/dbraw/zinc/19/59/08/385195908.db2.gz OFDGUMUSLQAOHX-SNVBAGLBSA-N 2 0 237.347 0.516 20 0 BCADRP C[C@H](Cn1ccnc1)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062891435 385196073 /nfs/dbraw/zinc/19/60/73/385196073.db2.gz OWMDDPWFIOMYIH-ZYHUDNBSSA-N 2 0 236.319 0.387 20 0 BCADRP [NH3+][C@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)C1CCC1 ZINC000647056273 385196756 /nfs/dbraw/zinc/19/67/56/385196756.db2.gz YOIIVJCVFVNNCH-MNOVXSKESA-N 2 0 237.347 0.372 20 0 BCADRP [NH3+][C@H](C(=O)N[C@H]1CC12CC[NH2+]CC2)C1CCC1 ZINC000647056274 385197930 /nfs/dbraw/zinc/19/79/30/385197930.db2.gz YOIIVJCVFVNNCH-QWRGUYRKSA-N 2 0 237.347 0.372 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000246281483 385145524 /nfs/dbraw/zinc/14/55/24/385145524.db2.gz MOTWDKQCMNHVOT-QJPTWQEYSA-N 2 0 239.363 0.762 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647011700 385145714 /nfs/dbraw/zinc/14/57/14/385145714.db2.gz JAFHMLUIZREBNJ-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP [NH3+]CCCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479897 385154654 /nfs/dbraw/zinc/15/46/54/385154654.db2.gz XWDFMLIJJBCNGA-NWDGAFQWSA-N 2 0 211.353 0.799 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000647022788 385155773 /nfs/dbraw/zinc/15/57/73/385155773.db2.gz GFEGIYQBZKCYTO-HBNTYKKESA-N 2 0 227.352 0.748 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000647022758 385155799 /nfs/dbraw/zinc/15/57/99/385155799.db2.gz DUJRJFCODSDYKX-KOLCDFICSA-N 2 0 221.304 0.540 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000647023224 385155840 /nfs/dbraw/zinc/15/58/40/385155840.db2.gz SVFYOBSCTHZREP-ONGXEEELSA-N 2 0 221.304 0.192 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000449482612 385155929 /nfs/dbraw/zinc/15/59/29/385155929.db2.gz ZAONBEQBARQUCE-NXEZZACHSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000647023357 385157013 /nfs/dbraw/zinc/15/70/13/385157013.db2.gz YGMHKMMXGZHFNS-PWSUYJOCSA-N 2 0 235.331 0.930 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000647024330 385157819 /nfs/dbraw/zinc/15/78/19/385157819.db2.gz LSIUWVKEGXKLNO-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H](C)[NH3+] ZINC000647023318 385158346 /nfs/dbraw/zinc/15/83/46/385158346.db2.gz WYUHFTVPZPSIJH-KOLCDFICSA-N 2 0 221.304 0.458 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000647643855 385158839 /nfs/dbraw/zinc/15/88/39/385158839.db2.gz XMEKMSVASWWODU-SNVBAGLBSA-N 2 0 239.363 0.857 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000647026415 385159635 /nfs/dbraw/zinc/15/96/35/385159635.db2.gz QZSYIVGRKMCROX-SNVBAGLBSA-N 2 0 227.352 0.701 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000647026381 385159803 /nfs/dbraw/zinc/15/98/03/385159803.db2.gz GRLSKMQDXFIXIS-QWRGUYRKSA-N 2 0 239.363 0.572 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000647026380 385160313 /nfs/dbraw/zinc/16/03/13/385160313.db2.gz GRLSKMQDXFIXIS-MNOVXSKESA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058103 385200803 /nfs/dbraw/zinc/20/08/03/385200803.db2.gz MWYWLKZKXYNFBG-UWVGGRQHSA-N 2 0 231.315 0.191 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC000044526675 385208870 /nfs/dbraw/zinc/20/88/70/385208870.db2.gz IEOBGHRYOZMTSU-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]([NH3+])CCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000364170887 385209631 /nfs/dbraw/zinc/20/96/31/385209631.db2.gz NETKYXNIOVYIKO-GHMZBOCLSA-N 2 0 227.352 0.620 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000308849320 385211251 /nfs/dbraw/zinc/21/12/51/385211251.db2.gz QPXYRKNSYMFZMT-ZETCQYMHSA-N 2 0 223.267 0.037 20 0 BCADRP CCCCNC(=O)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359317090 385212200 /nfs/dbraw/zinc/21/22/00/385212200.db2.gz GPMUXKVDUVRRDM-RYUDHWBXSA-N 2 0 239.363 0.444 20 0 BCADRP [NH3+]CC[C@H](NC(=O)CC[C@@H]1CCC[NH2+]1)C(F)F ZINC000647071040 385218941 /nfs/dbraw/zinc/21/89/41/385218941.db2.gz NOMGGGQQERKNMP-IUCAKERBSA-N 2 0 249.305 0.617 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000647072048 385219808 /nfs/dbraw/zinc/21/98/08/385219808.db2.gz YTQYEQHRIXOYBW-BQBZGAKWSA-N 2 0 235.278 0.083 20 0 BCADRP CC(C)NC(=O)CN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252713425 385222188 /nfs/dbraw/zinc/22/21/88/385222188.db2.gz PCVICTWTULQXCN-GHMZBOCLSA-N 2 0 227.352 0.441 20 0 BCADRP COCCOCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000164670950 385225635 /nfs/dbraw/zinc/22/56/35/385225635.db2.gz LUYVQBQPOCSJOK-NEPJUHHUSA-N 2 0 230.352 0.566 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246747283 385227833 /nfs/dbraw/zinc/22/78/33/385227833.db2.gz ZMLYDHBTEYQVGX-AXFHLTTASA-N 2 0 227.352 0.665 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000647077363 385230306 /nfs/dbraw/zinc/23/03/06/385230306.db2.gz WHILQMHNWWVNFL-NXEZZACHSA-N 2 0 213.325 0.372 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000110374232 385232865 /nfs/dbraw/zinc/23/28/65/385232865.db2.gz IVKLSXFBVQASSL-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+][C@H]1CCC[C@]12CCN(C(=O)C1([NH3+])CC1)C2 ZINC000364195096 385241543 /nfs/dbraw/zinc/24/15/43/385241543.db2.gz BIUUHCMMDWLDLI-GXSJLCMTSA-N 2 0 223.320 0.208 20 0 BCADRP [NH3+][C@@H]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000364197752 385242257 /nfs/dbraw/zinc/24/22/57/385242257.db2.gz WGYNSLZUNFDUPW-KKOKHZNYSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH2+]1 ZINC000259321751 385242609 /nfs/dbraw/zinc/24/26/09/385242609.db2.gz XEYWCNUWCVWWBF-MNOVXSKESA-N 2 0 225.336 0.149 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)o1 ZINC000647082946 385243520 /nfs/dbraw/zinc/24/35/20/385243520.db2.gz VKYMTNQQMBVALH-BDAKNGLRSA-N 2 0 237.303 0.596 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000647082755 385243540 /nfs/dbraw/zinc/24/35/40/385243540.db2.gz GJCVYTWPCWDFNT-ZJUUUORDSA-N 2 0 225.336 0.502 20 0 BCADRP CCN1CCC([NH2+][C@@H](CO)[C@@H]2CCCO2)CC1 ZINC000448267736 385243528 /nfs/dbraw/zinc/24/35/28/385243528.db2.gz OENHFWZLJDOVRF-STQMWFEESA-N 2 0 242.363 0.600 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC[NH2+]C1 ZINC000364199906 385244921 /nfs/dbraw/zinc/24/49/21/385244921.db2.gz FBBDVVJQTLANIP-WZRBSPASSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000647083339 385246009 /nfs/dbraw/zinc/24/60/09/385246009.db2.gz WOBBLDCXTCZECW-WOPDTQHZSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000647084371 385247148 /nfs/dbraw/zinc/24/71/48/385247148.db2.gz SMWOWCFHVNPXNS-PWSUYJOCSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CCC[C@@H]1C[NH3+])[NH+](C)C ZINC000157689129 385247256 /nfs/dbraw/zinc/24/72/56/385247256.db2.gz BVHONIOSPQITJS-GRYCIOLGSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC(F)F)C[C@H]1C[NH3+] ZINC000647086753 385251821 /nfs/dbraw/zinc/25/18/21/385251821.db2.gz BRGICRXIXBOWJH-IWSPIJDZSA-N 2 0 249.305 0.412 20 0 BCADRP C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000647086896 385251877 /nfs/dbraw/zinc/25/18/77/385251877.db2.gz SHNBZNYKLYMITM-WOPDTQHZSA-N 2 0 239.363 0.429 20 0 BCADRP CC[C@]1(C(=O)NCC2=CC[NH2+]CC2)CC[NH2+]C1 ZINC000364206048 385252699 /nfs/dbraw/zinc/25/26/99/385252699.db2.gz LPQMFIIKCIXQIT-ZDUSSCGKSA-N 2 0 237.347 0.412 20 0 BCADRP C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000308965153 385316161 /nfs/dbraw/zinc/31/61/61/385316161.db2.gz UYKFYRWOCVEBEN-KKOKHZNYSA-N 2 0 212.337 0.830 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000166641358 385266870 /nfs/dbraw/zinc/26/68/70/385266870.db2.gz FXPMQDUWIFDDCV-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157783309 385277507 /nfs/dbraw/zinc/27/75/07/385277507.db2.gz JNABZFOLBXJJQB-SDDRHHMPSA-N 2 0 239.363 0.857 20 0 BCADRP CCC[C@H](C)C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000308957627 385323186 /nfs/dbraw/zinc/32/31/86/385323186.db2.gz XXSACYMKEGZAGW-HBNTYKKESA-N 2 0 200.326 0.593 20 0 BCADRP C[NH+](C)CCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000367497536 385291082 /nfs/dbraw/zinc/29/10/82/385291082.db2.gz MCWCIFNRCUZIBW-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP [NH3+][C@@H]1CCC[C@]12CCN(C(=O)[C@@H]1CC[NH2+]C1)C2 ZINC000364251567 385295524 /nfs/dbraw/zinc/29/55/24/385295524.db2.gz BJAVQWPAJUDFGU-NQBHXWOUSA-N 2 0 237.347 0.326 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000517036162 385332939 /nfs/dbraw/zinc/33/29/39/385332939.db2.gz XBWAZLSGOVINNL-STQMWFEESA-N 2 0 243.395 0.230 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000259355364 385336940 /nfs/dbraw/zinc/33/69/40/385336940.db2.gz ZAKOHJVXVMVFCN-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCC[NH+](C)C ZINC000165017054 385339270 /nfs/dbraw/zinc/33/92/70/385339270.db2.gz YIPVTWGMTMMWPU-RKDXNWHRSA-N 2 0 201.314 0.038 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC000165080833 385346937 /nfs/dbraw/zinc/34/69/37/385346937.db2.gz WXOZFLSCCOXXAC-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH+](C)C1(CNC(=[NH2+])NC2CC2)CCC1 ZINC000165095536 385348472 /nfs/dbraw/zinc/34/84/72/385348472.db2.gz AAXKVYHYCQSUHX-UHFFFAOYSA-N 2 0 210.325 0.747 20 0 BCADRP C[C@@H](C(=O)N1CC[NH2+]CC1)[C@@H]([NH3+])c1ccccc1 ZINC000131665588 385350707 /nfs/dbraw/zinc/35/07/07/385350707.db2.gz YPWKSPOXLZSHKL-DGCLKSJQSA-N 2 0 247.342 0.754 20 0 BCADRP C[NH2+]CCC(=O)Nc1ccccc1C[NH2+]C ZINC000647657367 385361957 /nfs/dbraw/zinc/36/19/57/385361957.db2.gz ZQTXHONTYMVTAU-UHFFFAOYSA-N 2 0 221.304 0.954 20 0 BCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178406400 385367635 /nfs/dbraw/zinc/36/76/35/385367635.db2.gz GZQSHSCCIZROTM-OLZOCXBDSA-N 2 0 247.342 0.425 20 0 BCADRP Cc1cc(N2CC[NH+](CCO)CC2)cc[nH+]1 ZINC000167618946 385327069 /nfs/dbraw/zinc/32/70/69/385327069.db2.gz FUIXYSBHFPURLE-UHFFFAOYSA-N 2 0 221.304 0.504 20 0 BCADRP C[C@]1(C(=O)NCC2([NH3+])CCC2)CCC[NH2+]C1 ZINC000335895473 385327648 /nfs/dbraw/zinc/32/76/48/385327648.db2.gz SHHDGISGFFPWKR-NSHDSACASA-N 2 0 225.336 0.374 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000644080410 385424733 /nfs/dbraw/zinc/42/47/33/385424733.db2.gz MEXZVDQULNMGTK-UWVGGRQHSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]([NH3+])CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000180896627 385397469 /nfs/dbraw/zinc/39/74/69/385397469.db2.gz ZFVBTQZANSDKTI-MWLCHTKSSA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193639567 385403721 /nfs/dbraw/zinc/40/37/21/385403721.db2.gz NACZGKGFOFYYJN-LNFKQOIKSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)C[NH+](C)C)C[C@@H]1C[NH3+] ZINC000397254877 385414854 /nfs/dbraw/zinc/41/48/54/385414854.db2.gz QPOOXPMLEBXGGG-MXWKQRLJSA-N 2 0 227.352 0.380 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)C[NH+](C)C)C[C@H]1C[NH3+] ZINC000397254878 385415740 /nfs/dbraw/zinc/41/57/40/385415740.db2.gz QPOOXPMLEBXGGG-OUAUKWLOSA-N 2 0 227.352 0.380 20 0 BCADRP CC[C@@H](CO)[NH2+]C1CCN(CC)CC1 ZINC000020194516 385422311 /nfs/dbraw/zinc/42/23/11/385422311.db2.gz OBAOBRKRKPBUJB-JTQLQIEISA-N 2 0 200.326 0.831 20 0 BCADRP CC[C@H](CO)[NH2+]C1CCN(CC)CC1 ZINC000020194519 385423238 /nfs/dbraw/zinc/42/32/38/385423238.db2.gz OBAOBRKRKPBUJB-SNVBAGLBSA-N 2 0 200.326 0.831 20 0 BCADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1CC[NH2+]1 ZINC000644092162 385444478 /nfs/dbraw/zinc/44/44/78/385444478.db2.gz INZMNQDXOLZIGF-GHMZBOCLSA-N 2 0 249.314 0.173 20 0 BCADRP CCCN(C(=O)[C@@H]1[NH2+]CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000644085363 385430874 /nfs/dbraw/zinc/43/08/74/385430874.db2.gz XYDUNQSJJDJYJX-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)c1ccnc(C[NH3+])c1)C1CC1 ZINC000644087804 385436120 /nfs/dbraw/zinc/43/61/20/385436120.db2.gz VLDFPNRPEXNELG-ZDUSSCGKSA-N 2 0 248.330 0.398 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCn1cncn1 ZINC000309210010 385479622 /nfs/dbraw/zinc/47/96/22/385479622.db2.gz NQDJZCGKVCEOMT-GHMZBOCLSA-N 2 0 223.324 0.208 20 0 BCADRP CC(C)[C@@H](CO)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000309204493 385479985 /nfs/dbraw/zinc/47/99/85/385479985.db2.gz AWMXYPZIGFNNQN-NWDGAFQWSA-N 2 0 230.352 0.048 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364581028 385483813 /nfs/dbraw/zinc/48/38/13/385483813.db2.gz PWQSEXXBLWFXAF-NOHGZBONSA-N 2 0 237.347 0.230 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000257675140 385484400 /nfs/dbraw/zinc/48/44/00/385484400.db2.gz HKVQMEPZRSGTNU-RYUDHWBXSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@]([NH3+])(C(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000195232054 385463592 /nfs/dbraw/zinc/46/35/92/385463592.db2.gz BLZSTSREVKXGHM-TZMCWYRMSA-N 2 0 247.342 0.729 20 0 BCADRP CC[C@H](CO)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000309250268 385500255 /nfs/dbraw/zinc/50/02/55/385500255.db2.gz ZZXFHHUQKVPMRW-FOGDFJRCSA-N 2 0 212.337 0.830 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644122276 385500414 /nfs/dbraw/zinc/50/04/14/385500414.db2.gz TXINQZFEHJGINN-RKDXNWHRSA-N 2 0 249.305 0.345 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[C@H](C)[NH3+] ZINC000309261260 385502326 /nfs/dbraw/zinc/50/23/26/385502326.db2.gz IDQRIYBEFWBENY-UWVGGRQHSA-N 2 0 215.341 0.556 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000257698332 385489141 /nfs/dbraw/zinc/48/91/41/385489141.db2.gz NNJYCXGRGOTARH-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000644811870 385517285 /nfs/dbraw/zinc/51/72/85/385517285.db2.gz BHJGNUJXBTYKEZ-SDDRHHMPSA-N 2 0 237.347 0.101 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000364870285 385531917 /nfs/dbraw/zinc/53/19/17/385531917.db2.gz ATDJFUGQGKCXAU-JBLDHEPKSA-N 2 0 243.326 0.274 20 0 BCADRP Cc1noc(CN2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000228205878 385538315 /nfs/dbraw/zinc/53/83/15/385538315.db2.gz CLHUPXHZCQRRCE-IONNQARKSA-N 2 0 210.281 0.547 20 0 BCADRP COC[C@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000309351853 385544364 /nfs/dbraw/zinc/54/43/64/385544364.db2.gz NGVCLGCUWNVVQE-NEPJUHHUSA-N 2 0 228.336 0.021 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000644142162 385526056 /nfs/dbraw/zinc/52/60/56/385526056.db2.gz DMRWPVCRGZNCCK-RCWTZXSCSA-N 2 0 243.326 0.191 20 0 BCADRP Cn1ncc(CN2CCC[C@H](n3ccnc3)C2)n1 ZINC000367711078 385555006 /nfs/dbraw/zinc/55/50/06/385555006.db2.gz XIICHBUURQNLAS-LBPRGKRZSA-N 2 0 246.318 0.849 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)c1c[nH+]ccc1N ZINC000309395548 385561430 /nfs/dbraw/zinc/56/14/30/385561430.db2.gz GNURBCOQFSQVSU-SSDOTTSWSA-N 2 0 208.265 0.131 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000309466586 385595746 /nfs/dbraw/zinc/59/57/46/385595746.db2.gz QCMZNZXZPLOVAQ-VHSXEESVSA-N 2 0 213.325 0.167 20 0 BCADRP C[N@H+](CC1CC[NH+](C)CC1)CC(C)(C)N ZINC000063125143 385596852 /nfs/dbraw/zinc/59/68/52/385596852.db2.gz HFSHNXCIWWRXEC-UHFFFAOYSA-N 2 0 213.369 0.997 20 0 BCADRP CC[N@H+](CCNC(=O)C[C@H](C)[NH3+])C(C)C ZINC000309471532 385600688 /nfs/dbraw/zinc/60/06/88/385600688.db2.gz RBBDFKFSKXUWKE-JTQLQIEISA-N 2 0 215.341 0.570 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000354020030 385588330 /nfs/dbraw/zinc/58/83/30/385588330.db2.gz NCSNYULGZPYILO-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP [NH3+]C[C@@H]1CN(CCCC2CC[NH2+]CC2)CCO1 ZINC000647909282 385615656 /nfs/dbraw/zinc/61/56/56/385615656.db2.gz TYPABFUZXOYCIV-CYBMUJFWSA-N 2 0 241.379 0.426 20 0 BCADRP [NH3+]C[C@H]1CN(CCCC2CC[NH2+]CC2)CCO1 ZINC000647909283 385616245 /nfs/dbraw/zinc/61/62/45/385616245.db2.gz TYPABFUZXOYCIV-ZDUSSCGKSA-N 2 0 241.379 0.426 20 0 BCADRP COc1ccncc1Cn1cc(CCC[NH3+])nn1 ZINC000310933759 385625380 /nfs/dbraw/zinc/62/53/80/385625380.db2.gz UKBHUUXBWDNUCG-UHFFFAOYSA-N 2 0 247.302 0.621 20 0 BCADRP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000644820554 385608039 /nfs/dbraw/zinc/60/80/39/385608039.db2.gz XPIXCAWIOGATKP-SRVKXCTJSA-N 2 0 237.347 0.243 20 0 BCADRP C[N@H+](CCNC(=O)CCC[NH3+])Cc1ccccc1 ZINC000263265971 385664792 /nfs/dbraw/zinc/66/47/92/385664792.db2.gz NRSOFPHLQYXRIM-UHFFFAOYSA-N 2 0 249.358 0.974 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C[NH2+]C1CC1 ZINC000182297019 385644984 /nfs/dbraw/zinc/64/49/84/385644984.db2.gz NVFUAVBVSMXLGC-JQWIXIFHSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)NCC[NH+]1CCC1 ZINC000337413646 385645061 /nfs/dbraw/zinc/64/50/61/385645061.db2.gz OJWZWGLPTFRDIT-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP C[C@@H](NC(=O)C(C)(C)[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000309512123 385646964 /nfs/dbraw/zinc/64/69/64/385646964.db2.gz XPYZBZPQRJRABX-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP C[N@H+](CCCc1ccccc1)C[C@@H](O)C[NH3+] ZINC000336737824 385647753 /nfs/dbraw/zinc/64/77/53/385647753.db2.gz JSUFIRCMTPXYQS-ZDUSSCGKSA-N 2 0 222.332 0.871 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000337433567 385657454 /nfs/dbraw/zinc/65/74/54/385657454.db2.gz BMXSCUASBPLHGH-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H](C)CC[NH3+] ZINC000309522178 385659012 /nfs/dbraw/zinc/65/90/12/385659012.db2.gz BWRQVXYVEUFWFT-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NCCF ZINC000337563409 385710225 /nfs/dbraw/zinc/71/02/25/385710225.db2.gz WWAUTRGSGFCNCI-DCAQKATOSA-N 2 0 245.342 0.533 20 0 BCADRP CC[NH+](CC)CC(=O)NCC[N@H+]1CC=CCC1 ZINC000337565035 385710936 /nfs/dbraw/zinc/71/09/36/385710936.db2.gz PORLGJDAJRIRRA-UHFFFAOYSA-N 2 0 239.363 0.706 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)NCC[NH+]1CCCC1 ZINC000336684463 385671191 /nfs/dbraw/zinc/67/11/91/385671191.db2.gz ZMAHAAJEGDSQCB-QMMMGPOBSA-N 2 0 235.278 0.181 20 0 BCADRP CC[N@@H+]1CC[C@H](NCCC[NH2+]C)[C@H](C)C1 ZINC000414859810 385739384 /nfs/dbraw/zinc/73/93/84/385739384.db2.gz NXGOWGFHKOAHSV-NEPJUHHUSA-N 2 0 213.369 0.916 20 0 BCADRP CCn1ncnc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647797134 385765057 /nfs/dbraw/zinc/76/50/57/385765057.db2.gz ZUFOZCYDZYPPGD-GRYCIOLGSA-N 2 0 249.362 0.776 20 0 BCADRP C[N@H+](CCNC(=O)NCC[NH+]1CCC1)C1CC1 ZINC000337736886 385767470 /nfs/dbraw/zinc/76/74/70/385767470.db2.gz RWIHNLULEBKITB-UHFFFAOYSA-N 2 0 240.351 0.086 20 0 BCADRP CCC[NH2+]CCNC1CC[NH+](CCOC)CC1 ZINC000414866938 385788017 /nfs/dbraw/zinc/78/80/17/385788017.db2.gz HYGBWIYVKHPDHV-UHFFFAOYSA-N 2 0 243.395 0.686 20 0 BCADRP C[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1cncs1 ZINC000309590025 385720997 /nfs/dbraw/zinc/72/09/97/385720997.db2.gz UNLDDVXFPZMMPI-MWLCHTKSSA-N 2 0 241.360 0.860 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000186812067 385799556 /nfs/dbraw/zinc/79/95/56/385799556.db2.gz NPRVIAIRUDJRLB-OPRDCNLKSA-N 2 0 227.352 0.474 20 0 BCADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1C[NH2+]C1 ZINC000647799301 385800497 /nfs/dbraw/zinc/80/04/97/385800497.db2.gz CYGOZOHEAYZHMG-SDDRHHMPSA-N 2 0 209.337 0.184 20 0 BCADRP CC[NH2+]CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647799982 385802384 /nfs/dbraw/zinc/80/23/84/385802384.db2.gz VWWORJNWFXPBMW-RWMBFGLXSA-N 3 0 225.380 0.964 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647799777 385803020 /nfs/dbraw/zinc/80/30/20/385803020.db2.gz QHUMLYMKUFNDAR-CKIKVBCHSA-N 2 0 240.347 0.378 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000645287958 385804840 /nfs/dbraw/zinc/80/48/40/385804840.db2.gz DPXJCNDKGBKVPC-LLVKDONJSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000186868414 385806182 /nfs/dbraw/zinc/80/61/82/385806182.db2.gz JINWYWZHTFCXPW-GXSJLCMTSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]CCCc1ncn(C)n1 ZINC000647801545 385812386 /nfs/dbraw/zinc/81/23/86/385812386.db2.gz XSSLOMAZWYKWBU-NSHDSACASA-N 2 0 239.367 0.855 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000261615307 385824214 /nfs/dbraw/zinc/82/42/14/385824214.db2.gz AQBNACFAHFWVOL-CMPLNLGQSA-N 2 0 235.331 0.801 20 0 BCADRP C[NH2+]C1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000521433551 385825420 /nfs/dbraw/zinc/82/54/20/385825420.db2.gz HEHUVOQRYPFCAP-LLVKDONJSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000521433776 385826717 /nfs/dbraw/zinc/82/67/17/385826717.db2.gz YBIRRJXRVFKLRM-LLVKDONJSA-N 2 0 225.336 0.054 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000261747404 385829168 /nfs/dbraw/zinc/82/91/68/385829168.db2.gz NCTPTHIOZFNUFE-MFKMUULPSA-N 2 0 235.331 0.585 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)C[NH+](C)C ZINC000112401203 385834310 /nfs/dbraw/zinc/83/43/10/385834310.db2.gz JUKFINXFSHDMQA-UHFFFAOYSA-N 2 0 215.341 0.396 20 0 BCADRP C[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])C[C@@H](C)[NH2+]1 ZINC000647803346 385837147 /nfs/dbraw/zinc/83/71/47/385837147.db2.gz XCEFZEXSBAKHEB-NXEZZACHSA-N 2 0 227.352 0.713 20 0 BCADRP Cc1ccc(O)c(C[NH2+]C[C@H](C)C[NH3+])n1 ZINC000414869748 385838130 /nfs/dbraw/zinc/83/81/30/385838130.db2.gz BFNCILNQVOYIRO-MRVPVSSYSA-N 2 0 209.293 0.780 20 0 BCADRP C[N@H+]1CC=C(CNC(=O)CCn2ccnc2)CC1 ZINC000271903441 385858568 /nfs/dbraw/zinc/85/85/68/385858568.db2.gz QHBNRKXWVWDDMH-UHFFFAOYSA-N 2 0 248.330 0.651 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000638114385 385848648 /nfs/dbraw/zinc/84/86/48/385848648.db2.gz IGXGTRUSQJWWCJ-USWWRNFRSA-N 2 0 237.347 0.633 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000516649566 385849023 /nfs/dbraw/zinc/84/90/23/385849023.db2.gz WEQHIKKYEXGSGU-AEJSXWLSSA-N 2 0 228.340 0.163 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000638114145 385849128 /nfs/dbraw/zinc/84/91/28/385849128.db2.gz HLDBLCCNLJHGQV-GMTAPVOTSA-N 2 0 227.352 0.583 20 0 BCADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc2c(c1)nnn2C ZINC000414871555 385853390 /nfs/dbraw/zinc/85/33/90/385853390.db2.gz DCVLCRIYPCWLFY-VIFPVBQESA-N 2 0 233.319 0.653 20 0 BCADRP C[C@](C[NH3+])(NC(=O)CC1([NH3+])CCC1)C1CC1 ZINC000647806993 385853765 /nfs/dbraw/zinc/85/37/65/385853765.db2.gz BEZJAIKVDMRIRY-LLVKDONJSA-N 2 0 225.336 0.502 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CCCC[C@@H]1O ZINC000518781836 385792545 /nfs/dbraw/zinc/79/25/45/385792545.db2.gz YYGLRWKLCCAGJF-USZNOCQGSA-N 2 0 212.337 0.959 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000186809139 385797050 /nfs/dbraw/zinc/79/70/50/385797050.db2.gz NPEHFRDXZYORBE-GARJFASQSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2C)C1 ZINC000294704663 385886374 /nfs/dbraw/zinc/88/63/74/385886374.db2.gz GXOFSHZCQGQZLR-YPMHNXCESA-N 2 0 247.342 0.815 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1c[nH+]ccc1N ZINC000294720771 385887003 /nfs/dbraw/zinc/88/70/03/385887003.db2.gz CNTVKALYFIPVHX-KWQFWETISA-N 2 0 234.303 0.534 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000647841278 385890108 /nfs/dbraw/zinc/89/01/08/385890108.db2.gz FXGYGKRZSCBZKE-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP O=C([C@H]1CCC[NH2+]C1)N1CC[NH+]2CCC1CC2 ZINC000335037211 385928880 /nfs/dbraw/zinc/92/88/80/385928880.db2.gz HCMGMUSQMYQWAB-NSHDSACASA-N 2 0 237.347 0.293 20 0 BCADRP C[C@@H](C[NH3+])C[NH2+]Cc1cnc(N(C)C)s1 ZINC000414875543 385892868 /nfs/dbraw/zinc/89/28/68/385892868.db2.gz JVKIACROYNWYMU-QMMMGPOBSA-N 2 0 228.365 0.894 20 0 BCADRP COc1coc(CN(C)CCC[NH3+])cc1=O ZINC000647848572 385899533 /nfs/dbraw/zinc/89/95/33/385899533.db2.gz VBZNTSUUUDHRTP-UHFFFAOYSA-N 2 0 226.276 0.429 20 0 BCADRP CC[C@H](C(=O)NC(C)(C)C[NH+](C)C)[NH+](C)C ZINC000413852423 385900095 /nfs/dbraw/zinc/90/00/95/385900095.db2.gz ABIQHHYMJDMGHC-SNVBAGLBSA-N 2 0 229.368 0.783 20 0 BCADRP Cc1ccccc1CNC(=O)CN(C)CCC[NH3+] ZINC000647849315 385900660 /nfs/dbraw/zinc/90/06/60/385900660.db2.gz OWALKNJXQQPGFB-UHFFFAOYSA-N 2 0 249.358 0.892 20 0 BCADRP CC1(C)CNCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000647852855 385904265 /nfs/dbraw/zinc/90/42/65/385904265.db2.gz IWNOQTPAFRFCSG-LLVKDONJSA-N 2 0 211.353 0.670 20 0 BCADRP COC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000340200713 385905307 /nfs/dbraw/zinc/90/53/07/385905307.db2.gz RDDJKOZQFVZQHE-VXGBXAGGSA-N 2 0 244.379 0.846 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000336721355 385908166 /nfs/dbraw/zinc/90/81/66/385908166.db2.gz SOLDCGTVXPAENW-IONNQARKSA-N 2 0 247.289 0.322 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639020711 385929560 /nfs/dbraw/zinc/92/95/60/385929560.db2.gz LIJJYSCTSMHASH-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)CCC(C)(C)[NH3+] ZINC000647859208 385912263 /nfs/dbraw/zinc/91/22/63/385912263.db2.gz XZYBPCAIKZHWFC-UHFFFAOYSA-N 2 0 229.368 0.947 20 0 BCADRP CCCCNC(=O)CC[NH2+]CC1([NH3+])CCC1 ZINC000342107330 385929821 /nfs/dbraw/zinc/92/98/21/385929821.db2.gz PZUHMGQINIKWIP-UHFFFAOYSA-N 2 0 227.352 0.764 20 0 BCADRP C[C@H]1C[C@@H](N(C)C(=O)C2(C)C[NH2+]C2)CC[N@@H+]1C ZINC000335032299 385921110 /nfs/dbraw/zinc/92/11/10/385921110.db2.gz NQDWFLFNIQKKCO-QWRGUYRKSA-N 2 0 239.363 0.537 20 0 BCADRP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC000414004920 385922117 /nfs/dbraw/zinc/92/21/17/385922117.db2.gz KTMNMIZCBJMQDJ-GRYCIOLGSA-N 2 0 239.363 0.395 20 0 BCADRP C[NH2+][C@H]1CCCN(CCc2cn[nH]c2)C1 ZINC000308975956 385923670 /nfs/dbraw/zinc/92/36/70/385923670.db2.gz BZSPJWJADTXBMK-NSHDSACASA-N 2 0 208.309 0.636 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000647732456 385862551 /nfs/dbraw/zinc/86/25/51/385862551.db2.gz IOWXJSWNPSDPAT-GMTAPVOTSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000647732459 385862927 /nfs/dbraw/zinc/86/29/27/385862927.db2.gz IOWXJSWNPSDPAT-VWYCJHECSA-N 2 0 225.336 0.182 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000647732535 385864012 /nfs/dbraw/zinc/86/40/12/385864012.db2.gz LYSPSFZZGOBOQV-SNVBAGLBSA-N 2 0 248.330 0.568 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1CCC[NH2+]1 ZINC000647824981 385866263 /nfs/dbraw/zinc/86/62/63/385866263.db2.gz MDBOZNHSGHQIHH-ZYHUDNBSSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000647825024 385866407 /nfs/dbraw/zinc/86/64/07/385866407.db2.gz UMQQHOMMRXHSFU-GMTAPVOTSA-N 2 0 227.352 0.426 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000414959673 385868717 /nfs/dbraw/zinc/86/87/17/385868717.db2.gz TZALJKVKBFJRHS-SRVKXCTJSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@H]1CN(C(=O)CCC(C)(C)[NH3+])CC[C@@H]1[NH3+] ZINC000647816086 385869719 /nfs/dbraw/zinc/86/97/19/385869719.db2.gz PKMATWCYVVUWFU-UWVGGRQHSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)[C@@H]1C[NH3+] ZINC000647819643 385870422 /nfs/dbraw/zinc/87/04/22/385870422.db2.gz RCRNLDJOPGTBOT-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647820870 385871023 /nfs/dbraw/zinc/87/10/23/385871023.db2.gz HKBAZIYIEXSENU-ZDUSSCGKSA-N 2 0 249.358 0.817 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)C1 ZINC000647816977 385871403 /nfs/dbraw/zinc/87/14/03/385871403.db2.gz TWMLEGSDEBGMII-KXNHARMFSA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+]C[C@H]1CC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000647830611 385872430 /nfs/dbraw/zinc/87/24/30/385872430.db2.gz WELKWSHLKWBMGP-UPJWGTAASA-N 2 0 239.363 0.130 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000647829611 385877532 /nfs/dbraw/zinc/87/75/32/385877532.db2.gz DFMHRMAFZKGDDZ-RYUDHWBXSA-N 2 0 228.336 0.463 20 0 BCADRP c1cncc(C[NH2+]CCCN[C@H]2CCC[NH2+]C2)c1 ZINC000414881389 385991822 /nfs/dbraw/zinc/99/18/22/385991822.db2.gz RGCATVVHDSEPCG-AWEZNQCLSA-N 2 0 248.374 0.903 20 0 BCADRP C[C@H](C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21)[NH+](C)C ZINC000639020089 385931852 /nfs/dbraw/zinc/93/18/52/385931852.db2.gz JPORKPRXZKXTNY-WOPDTQHZSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NCC1=CC[N@H+](C)CC1 ZINC000335041464 385933203 /nfs/dbraw/zinc/93/32/03/385933203.db2.gz ICLAEQBFZMGTJL-AAEUAGOBSA-N 2 0 223.364 0.836 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCc1cn[nH]c1 ZINC000309009026 385933411 /nfs/dbraw/zinc/93/34/11/385933411.db2.gz OHJNQYHJDQDRHQ-MWLCHTKSSA-N 2 0 208.309 0.621 20 0 BCADRP C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1)[C@H](C)[NH3+] ZINC000335041115 385933668 /nfs/dbraw/zinc/93/36/68/385933668.db2.gz ACHRVHYFPUKRMH-DTWKUNHWSA-N 2 0 232.287 0.800 20 0 BCADRP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000338272778 385938247 /nfs/dbraw/zinc/93/82/47/385938247.db2.gz UNRHWIFEWOVOOU-JQWIXIFHSA-N 2 0 239.363 0.680 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000294998667 385938525 /nfs/dbraw/zinc/93/85/25/385938525.db2.gz LDACZGPJVFBICZ-PWSUYJOCSA-N 2 0 235.331 0.719 20 0 BCADRP CC1([NH3+])CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000647924153 385939730 /nfs/dbraw/zinc/93/97/30/385939730.db2.gz JAKQNUBYYAOWSD-LLVKDONJSA-N 3 0 211.353 0.799 20 0 BCADRP CC1(C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[NH2+]C1 ZINC000335050081 385946949 /nfs/dbraw/zinc/94/69/49/385946949.db2.gz HVJMIJVJYIULDV-NSHDSACASA-N 2 0 225.336 0.102 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(O)CCC1 ZINC000335051637 385948383 /nfs/dbraw/zinc/94/83/83/385948383.db2.gz STVCZEHDFXWFSA-GHMZBOCLSA-N 2 0 212.337 0.879 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000417448954 385951340 /nfs/dbraw/zinc/95/13/40/385951340.db2.gz WZUUAIQXGZDSAV-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC(C)(C)C[NH3+] ZINC000417448957 385951959 /nfs/dbraw/zinc/95/19/59/385951959.db2.gz WZYHVKKUEIGUKF-JTQLQIEISA-N 2 0 244.383 0.753 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC(C)(C)C[NH3+] ZINC000417448959 385952545 /nfs/dbraw/zinc/95/25/45/385952545.db2.gz WZYHVKKUEIGUKF-SNVBAGLBSA-N 2 0 244.383 0.753 20 0 BCADRP COCC[NH2+]CCNC[C@@H]([NH3+])CC(C)C ZINC000414879830 385958149 /nfs/dbraw/zinc/95/81/49/385958149.db2.gz IICCHMLZRDHBDO-NSHDSACASA-N 2 0 217.357 0.185 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000417447851 385960947 /nfs/dbraw/zinc/96/09/47/385960947.db2.gz RWEQPWJYLHYOSA-WDEREUQCSA-N 2 0 242.367 0.378 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000251247861 385961386 /nfs/dbraw/zinc/96/13/86/385961386.db2.gz BKXQUSIPXXHKRM-UTUOFQBUSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)C[NH3+])CC[N@@H+]1C ZINC000647865707 385997294 /nfs/dbraw/zinc/99/72/94/385997294.db2.gz QWDIJOOFKVCKKL-GHMZBOCLSA-N 2 0 241.379 0.770 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000638574911 385998713 /nfs/dbraw/zinc/99/87/13/385998713.db2.gz YUEASSWUCQWJKK-KXNHARMFSA-N 2 0 239.363 0.631 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)c1c[nH+]ccc1N ZINC000295256380 385998958 /nfs/dbraw/zinc/99/89/58/385998958.db2.gz QVSZGUUIQYXZSK-SSDOTTSWSA-N 2 0 208.265 0.131 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000638574912 386000448 /nfs/dbraw/zinc/00/04/48/386000448.db2.gz YUEASSWUCQWJKK-NNYUYHANSA-N 2 0 239.363 0.631 20 0 BCADRP CC[N@H+](CCNC(=O)N(C)[C@@H](C)C[NH3+])C(C)C ZINC000417456670 386002185 /nfs/dbraw/zinc/00/21/85/386002185.db2.gz GXTNLLCHBUUSSP-NSHDSACASA-N 2 0 244.383 0.705 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]([NH3+])c1ccccc1C ZINC000295307722 386012772 /nfs/dbraw/zinc/01/27/72/386012772.db2.gz VTZFTWQJRYLIBZ-CMPLNLGQSA-N 2 0 235.331 0.848 20 0 BCADRP COCC(C)(C)C[NH2+]C[C@@H]1CNCCN1C ZINC000414976147 386013912 /nfs/dbraw/zinc/01/39/12/386013912.db2.gz NNTBGQNILUGIFR-NSHDSACASA-N 2 0 229.368 0.152 20 0 BCADRP C[C@H](CC[NH+](C)C)N[C@@H]1C[N@H+](C)C[C@H]1C ZINC000336752440 386017188 /nfs/dbraw/zinc/01/71/88/386017188.db2.gz GWINDRADFMBPPB-IJLUTSLNSA-N 2 0 213.369 0.866 20 0 BCADRP CC[N@H+](CCNC(=O)NCC(C)(C)[NH3+])C(C)C ZINC000417461429 386019031 /nfs/dbraw/zinc/01/90/31/386019031.db2.gz LPXPKQDSUNPZBN-UHFFFAOYSA-N 2 0 244.383 0.753 20 0 BCADRP CC[N@H+](CCNC(=O)NCCC[NH2+]C)C(C)C ZINC000417461372 386019344 /nfs/dbraw/zinc/01/93/44/386019344.db2.gz LGHLLMQGRTVBBG-UHFFFAOYSA-N 2 0 244.383 0.625 20 0 BCADRP [NH3+][C@@H]1Cc2ccccc2N(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000335061291 386026346 /nfs/dbraw/zinc/02/63/46/386026346.db2.gz MEOXOGVLPCEQBT-NWDGAFQWSA-N 2 0 245.326 0.513 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335062076 386030393 /nfs/dbraw/zinc/03/03/93/386030393.db2.gz NGDYZLQYNOTOKQ-QWRGUYRKSA-N 2 0 233.315 0.640 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC[NH2+]C1 ZINC000365326104 386040258 /nfs/dbraw/zinc/04/02/58/386040258.db2.gz LWXOXOVJLZPUKR-WZRBSPASSA-N 2 0 239.363 0.490 20 0 BCADRP C[NH+](C)CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000340230643 386041283 /nfs/dbraw/zinc/04/12/83/386041283.db2.gz IPVYPTOBDQYZSW-JTQLQIEISA-N 2 0 213.325 0.004 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)N1CC([NH+](C)C)C1 ZINC000273865415 386046191 /nfs/dbraw/zinc/04/61/91/386046191.db2.gz OVYIYVXCQFSOBK-UHFFFAOYSA-N 2 0 248.330 0.534 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(CCC2CC[NH2+]CC2)CCO1 ZINC000647865689 385996484 /nfs/dbraw/zinc/99/64/84/385996484.db2.gz QDDJOCIDBKSEFY-WCQYABFASA-N 2 0 241.379 0.424 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000647754520 386102776 /nfs/dbraw/zinc/10/27/76/386102776.db2.gz KLECTWCWPOUHDW-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP CN(C[C@@H](O)C[N@H+](C)C[C@@H]1CCOC1)C1CC1 ZINC000336729341 386105900 /nfs/dbraw/zinc/10/59/00/386105900.db2.gz XGJJXZXFRYMNDD-AAEUAGOBSA-N 2 0 242.363 0.410 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000054133506 386109853 /nfs/dbraw/zinc/10/98/53/386109853.db2.gz XZZNENGXDKXBNS-LLVKDONJSA-N 2 0 227.352 0.585 20 0 BCADRP CC[N@H+](CCO)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414663559 386112032 /nfs/dbraw/zinc/11/20/32/386112032.db2.gz BIIJGZHGCVPHLE-WDEREUQCSA-N 2 0 200.326 0.689 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000054342109 386120445 /nfs/dbraw/zinc/12/04/45/386120445.db2.gz MHLZKDZLQCPWSN-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000054343564 386121378 /nfs/dbraw/zinc/12/13/78/386121378.db2.gz HVPPTBPPVKWITI-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000334440381 386068735 /nfs/dbraw/zinc/06/87/35/386068735.db2.gz WRONTSSIYITCPX-NEPJUHHUSA-N 2 0 239.363 0.633 20 0 BCADRP COCC[NH2+]CCN[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000414892433 386149162 /nfs/dbraw/zinc/14/91/62/386149162.db2.gz XAXPTQDRQKJTHB-RYUDHWBXSA-N 2 0 229.368 0.343 20 0 BCADRP CC[N@H+](C)CCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055131827 386158751 /nfs/dbraw/zinc/15/87/51/386158751.db2.gz XQFSPHINTJASGN-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000346139734 386165198 /nfs/dbraw/zinc/16/51/98/386165198.db2.gz OMTCGVZTZUKKIL-CMPLNLGQSA-N 2 0 239.363 0.680 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346141774 386166283 /nfs/dbraw/zinc/16/62/83/386166283.db2.gz RJYATBBAACWZIA-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H]1C[C@@H](C[N@H+](C)CC(=O)N(C)C)CC[NH2+]1 ZINC000414681951 386167917 /nfs/dbraw/zinc/16/79/17/386167917.db2.gz QELOQRSUYHVZFS-MNOVXSKESA-N 2 0 227.352 0.395 20 0 BCADRP CC[N@@H+](CC(=O)OC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414686443 386174534 /nfs/dbraw/zinc/17/45/34/386174534.db2.gz ASKIFPKYIXTLNG-GHMZBOCLSA-N 2 0 228.336 0.869 20 0 BCADRP CC(C)C[N@@H+](CC(N)=O)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414693522 386190954 /nfs/dbraw/zinc/19/09/54/386190954.db2.gz BZGCOAYYAFIDHY-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[NH+](C)C ZINC000346187619 386182122 /nfs/dbraw/zinc/18/21/22/386182122.db2.gz FHHYKDREZGACTB-JTQLQIEISA-N 2 0 215.341 0.395 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]2CO)CC[NH2+]1 ZINC000414690777 386185783 /nfs/dbraw/zinc/18/57/83/386185783.db2.gz NSUQSTWIHRODOZ-UTUOFQBUSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@@H](NC(=O)c1c[nH+]ccc1N)[C@H]1CCC[NH2+]C1 ZINC000296597288 386188101 /nfs/dbraw/zinc/18/81/01/386188101.db2.gz YEJAEMHTYDMJAT-ZJUUUORDSA-N 2 0 248.330 0.782 20 0 BCADRP COc1ccc2c(c1)[C@@H]([NH3+])CCN2C(=O)CC[NH3+] ZINC000365492631 386130687 /nfs/dbraw/zinc/13/06/87/386130687.db2.gz NGFXOZVHSSCNOP-NSHDSACASA-N 2 0 249.314 0.781 20 0 BCADRP Cn1cccc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000382368017 386141491 /nfs/dbraw/zinc/14/14/91/386141491.db2.gz XUGPSUYGOSFHCY-GHMZBOCLSA-N 2 0 205.305 0.676 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000647874920 386143014 /nfs/dbraw/zinc/14/30/14/386143014.db2.gz JWPNCHOHCBGKOX-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000647874948 386143345 /nfs/dbraw/zinc/14/33/45/386143345.db2.gz LNKUVQIQDXZREK-DBIOUOCHSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000647757318 386212522 /nfs/dbraw/zinc/21/25/22/386212522.db2.gz OAWIQVXTPDZZGD-GMNPVEAJSA-N 2 0 237.347 0.323 20 0 BCADRP CNC(=O)[C@H](C)C[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414704801 386215136 /nfs/dbraw/zinc/21/51/36/386215136.db2.gz JRBPLZIMFMMOGX-IJLUTSLNSA-N 2 0 241.379 0.688 20 0 BCADRP NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647882662 386234028 /nfs/dbraw/zinc/23/40/28/386234028.db2.gz LBBIYJQVMSVUBU-MNOVXSKESA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H]1SCC[N@H+](CCN2CC[NH2+]CC2)[C@@H]1C ZINC000132419802 386235123 /nfs/dbraw/zinc/23/51/23/386235123.db2.gz VRNGDZONYRYKGI-VXGBXAGGSA-N 2 0 243.420 0.717 20 0 BCADRP NC(=O)C[C@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647882664 386237499 /nfs/dbraw/zinc/23/74/99/386237499.db2.gz LBBIYJQVMSVUBU-WDEREUQCSA-N 2 0 225.336 0.326 20 0 BCADRP CC[C@@]1(C(=O)N(C)CCC[NH2+]C)CCC[NH2+]1 ZINC000215392971 386243452 /nfs/dbraw/zinc/24/34/52/386243452.db2.gz KKXPWNDBQNPWFL-LBPRGKRZSA-N 2 0 227.352 0.587 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NC(C)(C)CC[NH3+])CC[N@@H+]1C ZINC000638355167 386245789 /nfs/dbraw/zinc/24/57/89/386245789.db2.gz GUFFIDOPTYAHRE-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N2CCC3(CC[NH2+]3)CC2)C1 ZINC000638355456 386247797 /nfs/dbraw/zinc/24/77/97/386247797.db2.gz MWPCRAGKPUQZPE-NSHDSACASA-N 2 0 235.331 0.388 20 0 BCADRP COC(=O)c1ccc(C[NH2+][C@H](C)CC[NH3+])[nH]1 ZINC000414899474 386251459 /nfs/dbraw/zinc/25/14/59/386251459.db2.gz UTIZMFAJGVRTJB-MRVPVSSYSA-N 2 0 225.292 0.628 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132873644 386257727 /nfs/dbraw/zinc/25/77/27/386257727.db2.gz HFNDKUBMEPMVOU-TUAOUCFPSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN[C@@H]1C[NH2+]CCC1(F)F ZINC000414998411 386199145 /nfs/dbraw/zinc/19/91/45/386199145.db2.gz IZANJZWUYRDNFI-NXEZZACHSA-N 2 0 235.322 0.947 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000211696448 386280823 /nfs/dbraw/zinc/28/08/23/386280823.db2.gz KCGIYIVTOJXTEM-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@]1(CNC[C@]2(C)CCC[NH2+]C2)CC[NH2+]C1 ZINC000414900868 386289680 /nfs/dbraw/zinc/28/96/80/386289680.db2.gz FIUYZBLTJDBIIX-CHWSQXEVSA-N 2 0 225.380 0.965 20 0 BCADRP Cc1nnc([C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)[nH]1 ZINC000647988412 386304167 /nfs/dbraw/zinc/30/41/67/386304167.db2.gz FWXPFLOVJSKIIA-VXGBXAGGSA-N 2 0 249.362 0.902 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(C)(C)C[NH3+] ZINC000236720819 386307344 /nfs/dbraw/zinc/30/73/44/386307344.db2.gz ZXQXCYRPOICYKF-JTQLQIEISA-N 2 0 229.368 0.803 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCCNC2)C1 ZINC000415006125 386318857 /nfs/dbraw/zinc/31/88/57/386318857.db2.gz PVOZPGIKFXOWLW-UTUOFQBUSA-N 2 0 211.353 0.846 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC1([NH+](C)C)CC1 ZINC000416305098 386266027 /nfs/dbraw/zinc/26/60/27/386266027.db2.gz WFIJCBLECBRJSI-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CC[N@H+](C)[C@H](C(=O)NCC[NH3+])c1ccccc1 ZINC000236887698 386324055 /nfs/dbraw/zinc/32/40/55/386324055.db2.gz BXLNMTYMOHNKGA-LBPRGKRZSA-N 2 0 235.331 0.754 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647987702 386279042 /nfs/dbraw/zinc/27/90/42/386279042.db2.gz SCCPHWYXLABZSX-SDDRHHMPSA-N 2 0 209.337 0.280 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000289277628 386279949 /nfs/dbraw/zinc/27/99/49/386279949.db2.gz PTHNRQMSJRHZRQ-UHTWSYAYSA-N 2 0 247.342 0.943 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000289277631 386280172 /nfs/dbraw/zinc/28/01/72/386280172.db2.gz PTHNRQMSJRHZRQ-WXHSDQCUSA-N 2 0 247.342 0.943 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])o1 ZINC000335277723 386342558 /nfs/dbraw/zinc/34/25/58/386342558.db2.gz USQBELTUYRDDGQ-NXEZZACHSA-N 2 0 237.303 0.738 20 0 BCADRP COC[C@@H]1CCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000339290052 386342707 /nfs/dbraw/zinc/34/27/07/386342707.db2.gz HSVKYEVIHCUWRB-RYUDHWBXSA-N 2 0 228.336 0.162 20 0 BCADRP C([C@H]1CC[NH2+]C1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647970046 386344046 /nfs/dbraw/zinc/34/40/46/386344046.db2.gz ZFKXSIJTYOOYBC-JSGCOSHPSA-N 3 0 237.391 0.917 20 0 BCADRP C[NH+](C)C/C=C/C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000265599045 386349329 /nfs/dbraw/zinc/34/93/29/386349329.db2.gz BZISLKLBPTZCTI-SGUJLRQBSA-N 2 0 225.336 0.172 20 0 BCADRP C[NH+](C)Cc1cccc(CNC(=O)C2([NH3+])CC2)c1 ZINC000237056562 386351027 /nfs/dbraw/zinc/35/10/27/386351027.db2.gz KMQYBZWNPYYNHI-UHFFFAOYSA-N 2 0 247.342 0.856 20 0 BCADRP C[C@H]1C[C@@H](C[NH2+][C@H]2CCCNC2)CC[NH2+]1 ZINC000414905258 386358539 /nfs/dbraw/zinc/35/85/39/386358539.db2.gz NUGOSWHTALOCLQ-SRVKXCTJSA-N 2 0 211.353 0.716 20 0 BCADRP Cn1nccc1CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000336691245 386361226 /nfs/dbraw/zinc/36/12/26/386361226.db2.gz FICCZYXKJQDVPJ-GFCCVEGCSA-N 2 0 236.363 0.846 20 0 BCADRP C[C@@H]1C[C@H](C[N@H+]2CC(=O)N(C)[C@@H](C)C2)CC[NH2+]1 ZINC000414748842 386363305 /nfs/dbraw/zinc/36/33/05/386363305.db2.gz XIWKLLIMKZNRCC-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP C[N@H+]1C[C@H]2CN(CC[NH2+]C(C)(C)C)C[C@H]2C1 ZINC000414749246 386364769 /nfs/dbraw/zinc/36/47/69/386364769.db2.gz XXOZMKLJRPYNLL-TXEJJXNPSA-N 2 0 225.380 0.868 20 0 BCADRP C[C@@H](CNC(=O)C(C)(C)[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000237400933 386376047 /nfs/dbraw/zinc/37/60/47/386376047.db2.gz SVSRWUUKHTVIFT-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[N@H+](C[C@@H](C)O)C[C@H](O)CN(C)C1CC1 ZINC000336684157 386331234 /nfs/dbraw/zinc/33/12/34/386331234.db2.gz FODDOUYFMLYXDG-DGCLKSJQSA-N 2 0 244.379 0.533 20 0 BCADRP C[C@@H]1CN(C[C@H]2CC[NH2+]C2)[C@@H](C)C[N@@H+]1C ZINC000647989049 386334024 /nfs/dbraw/zinc/33/40/24/386334024.db2.gz BOLBIWGLRPDUGO-WOPDTQHZSA-N 2 0 211.353 0.620 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)[C@H](C)C[NH2+]C)CC1 ZINC000092132762 386334354 /nfs/dbraw/zinc/33/43/54/386334354.db2.gz JRQZAATTYUUEKI-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC000230045545 386335771 /nfs/dbraw/zinc/33/57/71/386335771.db2.gz HPLZQRKEVJVMPY-RWMBFGLXSA-N 2 0 234.347 0.942 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000356394798 386436764 /nfs/dbraw/zinc/43/67/64/386436764.db2.gz SLHXBBZLYOCEQQ-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP C[NH2+]CCNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000417036996 386439298 /nfs/dbraw/zinc/43/92/98/386439298.db2.gz TUFUGLWICXYJMJ-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CC[NH2+]C1CC1 ZINC000519423465 386440214 /nfs/dbraw/zinc/44/02/14/386440214.db2.gz HJUGCDGIEFBFDJ-GFCCVEGCSA-N 2 0 227.352 0.618 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)N[C@H](C)CC[NH3+] ZINC000417605716 386440908 /nfs/dbraw/zinc/44/09/08/386440908.db2.gz BZYCUHRYRXEFPR-LLVKDONJSA-N 2 0 244.383 0.755 20 0 BCADRP CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCNC1=O ZINC000414767273 386440985 /nfs/dbraw/zinc/44/09/85/386440985.db2.gz SIAHNQMEDGSPOE-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CCC2(CC[NH2+]2)CC1 ZINC000647992503 386448474 /nfs/dbraw/zinc/44/84/74/386448474.db2.gz HECASBBXJLQHMB-LLVKDONJSA-N 2 0 209.337 0.424 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN([C@H]2CCCNC2=O)C1 ZINC000336719582 386449676 /nfs/dbraw/zinc/44/96/76/386449676.db2.gz XYHLWLVEKLOJJZ-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)NCC[NH2+]C ZINC000417614361 386450511 /nfs/dbraw/zinc/45/05/11/386450511.db2.gz VIBSBSMWULNJJM-UHFFFAOYSA-N 2 0 230.356 0.237 20 0 BCADRP CC[NH+](CC)CCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000416800584 386389453 /nfs/dbraw/zinc/38/94/53/386389453.db2.gz RHNFQSAMQBDTFY-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP CC[NH+](CC)CCNC(=O)NC[C@@H](C)C[NH3+] ZINC000416799130 386389862 /nfs/dbraw/zinc/38/98/62/386389862.db2.gz PDXMAULGVBHJFM-JTQLQIEISA-N 2 0 230.356 0.222 20 0 BCADRP CC[NH+](CC)CCCNC(=O)N[C@@H](C)C[NH3+] ZINC000416819310 386401212 /nfs/dbraw/zinc/40/12/12/386401212.db2.gz RFTARPWSHTWGAF-JTQLQIEISA-N 2 0 230.356 0.365 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000353202873 386401881 /nfs/dbraw/zinc/40/18/81/386401881.db2.gz YBFQXGAOVUILBG-VWYCJHECSA-N 2 0 225.336 0.099 20 0 BCADRP [NH3+]CCNC(=O)NCCC[NH+]1CCCCC1 ZINC000416870142 386405864 /nfs/dbraw/zinc/40/58/64/386405864.db2.gz HXKISORIBJLWPA-UHFFFAOYSA-N 2 0 228.340 0.120 20 0 BCADRP [NH3+]CC1(CC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000519393600 386428590 /nfs/dbraw/zinc/42/85/90/386428590.db2.gz YHASYCMTVPOUES-UHFFFAOYSA-N 2 0 248.330 0.161 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000519398353 386430446 /nfs/dbraw/zinc/43/04/46/386430446.db2.gz SZKPECYVHWQJGQ-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1CC[NH2+]C[C@@](C)(F)C1 ZINC000414766191 386432488 /nfs/dbraw/zinc/43/24/88/386432488.db2.gz DHLRTJIYFUWXCI-VXGBXAGGSA-N 2 0 231.359 0.993 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000238010346 386434202 /nfs/dbraw/zinc/43/42/02/386434202.db2.gz DSYXWGJIFXNVBJ-NWDGAFQWSA-N 2 0 233.315 0.555 20 0 BCADRP C[C@H](CNC(=O)NCC[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000417009695 386435746 /nfs/dbraw/zinc/43/57/46/386435746.db2.gz KOGPGJWXZHBBBY-GHMZBOCLSA-N 2 0 242.367 0.365 20 0 BCADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414773453 386466579 /nfs/dbraw/zinc/46/65/79/386466579.db2.gz AKJNNQWATMFGBP-ZQDZILKHSA-N 2 0 246.354 0.960 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)C[NH3+] ZINC000417287572 386475390 /nfs/dbraw/zinc/47/53/90/386475390.db2.gz PAQODDKOGYATHE-SECBINFHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000417287954 386475428 /nfs/dbraw/zinc/47/54/28/386475428.db2.gz PYSDBVJMUHMESN-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000417315214 386480750 /nfs/dbraw/zinc/48/07/50/386480750.db2.gz BZMCGOFKDUWXJU-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H](C[NH3+])C(C)C)C1 ZINC000340641205 386480808 /nfs/dbraw/zinc/48/08/08/386480808.db2.gz CDDMBQGGFYMDJH-GHMZBOCLSA-N 2 0 227.352 0.428 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062887511 386529150 /nfs/dbraw/zinc/52/91/50/386529150.db2.gz MQOHDNFELGEFIH-LBPRGKRZSA-N 2 0 227.352 0.444 20 0 BCADRP C[C@H](CNC(=O)C1(C)C[NH2+]C1)C[NH+]1CCCC1 ZINC000399287767 386484342 /nfs/dbraw/zinc/48/43/42/386484342.db2.gz QICJOPCAKGYKEH-LLVKDONJSA-N 2 0 239.363 0.444 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000062010210 386489525 /nfs/dbraw/zinc/48/95/25/386489525.db2.gz BRRCHAHFFOUQPM-GFCCVEGCSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](C)CCC[NH3+] ZINC000417321589 386495712 /nfs/dbraw/zinc/49/57/12/386495712.db2.gz TVHPHQMIPGKEJX-WDEREUQCSA-N 2 0 244.383 0.753 20 0 BCADRP CC[C@H](C)C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414780533 386497699 /nfs/dbraw/zinc/49/76/99/386497699.db2.gz LOJPSSQYFWBNDW-LBPRGKRZSA-N 2 0 213.369 0.917 20 0 BCADRP CN(Cc1nc(C(C)(C)[NH3+])no1)[C@H]1CCOC1 ZINC000135265159 386499349 /nfs/dbraw/zinc/49/93/49/386499349.db2.gz UCVGDIHJOXDKDD-QMMMGPOBSA-N 2 0 240.307 0.484 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335441586 386501134 /nfs/dbraw/zinc/50/11/34/386501134.db2.gz DSAAPXPZEWXLSL-QWRGUYRKSA-N 2 0 225.336 0.054 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CC[NH2+]C1 ZINC000062112152 386502664 /nfs/dbraw/zinc/50/26/64/386502664.db2.gz JNISDPCXYJOQDT-JTQLQIEISA-N 2 0 227.352 0.300 20 0 BCADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000062113123 386502963 /nfs/dbraw/zinc/50/29/63/386502963.db2.gz MWPBPHAZQDQRBD-RYUDHWBXSA-N 2 0 241.379 0.688 20 0 BCADRP [NH3+][C@@H](CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000366465374 386513180 /nfs/dbraw/zinc/51/31/80/386513180.db2.gz XENFQWVDOJJYAQ-KZVDOYCCSA-N 2 0 245.326 0.411 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000519641270 386513193 /nfs/dbraw/zinc/51/31/93/386513193.db2.gz DZGUYKGYNANGDI-JLIMGVALSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@H]1C[C@@H](C[NH+]2CCC([NH3+])CC2)CC[NH2+]1 ZINC000335447257 386513576 /nfs/dbraw/zinc/51/35/76/386513576.db2.gz BFSSXUKCRBIFMR-QWRGUYRKSA-N 2 0 211.353 0.798 20 0 BCADRP CC1([NH2+]CC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000335447273 386514215 /nfs/dbraw/zinc/51/42/15/386514215.db2.gz BZUVFHYKFFLNLN-UHFFFAOYSA-N 3 0 211.353 0.718 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000335447283 386515011 /nfs/dbraw/zinc/51/50/11/386515011.db2.gz CONCBOGJIASZGH-NEPJUHHUSA-N 2 0 209.337 0.280 20 0 BCADRP [NH3+]CC1(CN2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000335449221 386516287 /nfs/dbraw/zinc/51/62/87/386516287.db2.gz YWTOGMMJNGUQHH-LBPRGKRZSA-N 3 0 209.337 0.411 20 0 BCADRP C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415029806 386516439 /nfs/dbraw/zinc/51/64/39/386516439.db2.gz CYCXECXCGNGSMT-KYTCRMMBSA-N 2 0 235.375 0.715 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335448344 386516570 /nfs/dbraw/zinc/51/65/70/386516570.db2.gz NFTMWWJIAKWHEW-JQWIXIFHSA-N 3 0 211.353 0.574 20 0 BCADRP CC(C)(C[NH3+])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000123094256 386530176 /nfs/dbraw/zinc/53/01/76/386530176.db2.gz OUKZTVFQAKVEBO-SNVBAGLBSA-N 2 0 239.363 0.572 20 0 BCADRP Cc1c[nH]nc1CN1CCC[C@H](C[NH3+])C1 ZINC000335448793 386517304 /nfs/dbraw/zinc/51/73/04/386517304.db2.gz SOJOAZUDKUEHDJ-SNVBAGLBSA-N 2 0 208.309 0.889 20 0 BCADRP Cc1c[nH]nc1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000335449146 386518071 /nfs/dbraw/zinc/51/80/71/386518071.db2.gz VZLBNUHJATURER-VHSXEESVSA-N 2 0 208.309 0.887 20 0 BCADRP C[C@@]1(CN2CCC3(CC[NH2+]3)CC2)CC[NH2+]C1 ZINC000335448799 386518154 /nfs/dbraw/zinc/51/81/54/386518154.db2.gz SUSTVBYCZIGXFT-GFCCVEGCSA-N 2 0 223.364 0.814 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000237081170 386519512 /nfs/dbraw/zinc/51/95/12/386519512.db2.gz DIFLUYORXPEDJO-ZDUSSCGKSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]CCCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000417141605 386454999 /nfs/dbraw/zinc/45/49/99/386454999.db2.gz RMTDBRICGHLAMP-MNOVXSKESA-N 2 0 240.351 0.261 20 0 BCADRP C[C@@H](CNC(=O)[C@H]([NH3+])C1CCC1)[NH+](C)C ZINC000399223149 386461037 /nfs/dbraw/zinc/46/10/37/386461037.db2.gz LKUFORIRDMWYOF-WCBMZHEXSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])[NH+](C)C ZINC000638422374 386463046 /nfs/dbraw/zinc/46/30/46/386463046.db2.gz AWOWWUPGQVGHPQ-GRYCIOLGSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H](CNC(=O)C(C)(C)[NH3+])C[NH+]1CCCC1 ZINC000059931040 386463669 /nfs/dbraw/zinc/46/36/69/386463669.db2.gz PCJFODZNTORGRZ-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH3+] ZINC000417698041 386575229 /nfs/dbraw/zinc/57/52/29/386575229.db2.gz IQJOJBPHRCJDIO-LLVKDONJSA-N 2 0 242.367 0.509 20 0 BCADRP O=C(NC[C@H]1CC[NH2+]C1)C12CCC[NH+]1CCC2 ZINC000335415656 386581862 /nfs/dbraw/zinc/58/18/62/386581862.db2.gz VFMBNKWXSKYPSB-NSHDSACASA-N 2 0 237.347 0.341 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000647905021 386583410 /nfs/dbraw/zinc/58/34/10/386583410.db2.gz LLTMALKATFMWDJ-GRYCIOLGSA-N 3 0 211.353 0.655 20 0 BCADRP CC(C)[C@H]([NH3+])C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414801442 386584121 /nfs/dbraw/zinc/58/41/21/386584121.db2.gz UDIWYMBQIPHROX-GRYCIOLGSA-N 3 0 213.369 0.947 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000335416559 386585302 /nfs/dbraw/zinc/58/53/02/386585302.db2.gz HOJKBKFDTAFJFX-WCQYABFASA-N 2 0 245.326 0.433 20 0 BCADRP CN(C)c1nccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000414800763 386587056 /nfs/dbraw/zinc/58/70/56/386587056.db2.gz LICVCTLLOFHSEM-ZYHUDNBSSA-N 2 0 249.362 0.760 20 0 BCADRP CC1CC[NH+](CC(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000335419580 386589204 /nfs/dbraw/zinc/58/92/04/386589204.db2.gz VYBCYVNOBCLALZ-LBPRGKRZSA-N 2 0 239.363 0.526 20 0 BCADRP CC1CC[NH+](CC(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000335419578 386589778 /nfs/dbraw/zinc/58/97/78/386589778.db2.gz VYBCYVNOBCLALZ-GFCCVEGCSA-N 2 0 239.363 0.526 20 0 BCADRP C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]C1 ZINC000062902556 386531148 /nfs/dbraw/zinc/53/11/48/386531148.db2.gz LXBXADPUNNTOBY-ZWNOBZJWSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+]CC[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)C(F)F ZINC000519716465 386533815 /nfs/dbraw/zinc/53/38/15/386533815.db2.gz TXINBLKAQLCCHP-YUMQZZPRSA-N 2 0 235.278 0.227 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)C[NH2+]C2CC2)CC1 ZINC000519691123 386533879 /nfs/dbraw/zinc/53/38/79/386533879.db2.gz MABJKBXJSDHTMR-XYPYZODXSA-N 2 0 239.363 0.620 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000062967629 386535798 /nfs/dbraw/zinc/53/57/98/386535798.db2.gz HDZYLXRATVJQSC-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000062972553 386536417 /nfs/dbraw/zinc/53/64/17/386536417.db2.gz KLHBXSRYUHKBSO-NEPJUHHUSA-N 2 0 241.379 0.912 20 0 BCADRP c1cnc(N[C@@H]2CCN(C[C@@H]3CC[NH2+]C3)C2)nc1 ZINC000647995347 386537027 /nfs/dbraw/zinc/53/70/27/386537027.db2.gz QNBLHRWVDPQJLK-VXGBXAGGSA-N 2 0 247.346 0.572 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000417681831 386538600 /nfs/dbraw/zinc/53/86/00/386538600.db2.gz KDYCPSHGSCQPFA-VHSXEESVSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000417681829 386539288 /nfs/dbraw/zinc/53/92/88/386539288.db2.gz KDYCPSHGSCQPFA-NXEZZACHSA-N 2 0 240.351 0.117 20 0 BCADRP C[NH+](C)C1(CNc2cc[nH+]cc2C(N)=O)CCC1 ZINC000525832319 386547196 /nfs/dbraw/zinc/54/71/96/386547196.db2.gz AOUSEMSXDQHHEB-UHFFFAOYSA-N 2 0 248.330 0.499 20 0 BCADRP CC(C)[C@@H]([NH3+])CNCc1cnc(N(C)C)nc1 ZINC000414802802 386597181 /nfs/dbraw/zinc/59/71/81/386597181.db2.gz VYAVVWXEVIWPIM-NSHDSACASA-N 2 0 237.351 0.616 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000519763079 386551096 /nfs/dbraw/zinc/55/10/96/386551096.db2.gz JNNCVUKFCDMXDD-DTWKUNHWSA-N 2 0 213.325 0.099 20 0 BCADRP CC(C)C[C@H]([NH3+])CNCCCN1CC[NH2+]CC1 ZINC000414794718 386560188 /nfs/dbraw/zinc/56/01/88/386560188.db2.gz MAGNEDJUYKECDJ-ZDUSSCGKSA-N 2 0 242.411 0.245 20 0 BCADRP C[C@@H]([NH3+])CN1CCc2ccccc2[C@H]1C[NH3+] ZINC000335405056 386561766 /nfs/dbraw/zinc/56/17/66/386561766.db2.gz CATRXFYHMXUVQE-ZWNOBZJWSA-N 2 0 219.332 0.892 20 0 BCADRP C[C@H](C[NH3+])NC(=O)c1ccccc1CC[NH3+] ZINC000519829093 386565697 /nfs/dbraw/zinc/56/56/97/386565697.db2.gz QDNPHUVEYCKXMW-SECBINFHSA-N 2 0 221.304 0.265 20 0 BCADRP C[C@@H]1C[C@H]1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000336780838 386566130 /nfs/dbraw/zinc/56/61/30/386566130.db2.gz SGIXZDFMLXIBFR-OLZOCXBDSA-N 2 0 225.380 0.870 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000366493838 386597793 /nfs/dbraw/zinc/59/77/93/386597793.db2.gz BBKJLRRKSCWXCI-NNYUYHANSA-N 2 0 237.347 0.324 20 0 BCADRP CC1(C)CN(CC[NH2+]C2CC[NH2+]CC2)CCO1 ZINC000415074806 386567552 /nfs/dbraw/zinc/56/75/52/386567552.db2.gz AIHXOYMQPOSAPF-UHFFFAOYSA-N 2 0 241.379 0.439 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136192068 386568792 /nfs/dbraw/zinc/56/87/92/386568792.db2.gz SQJWTLIBGPPJEA-CYBMUJFWSA-N 2 0 241.379 0.977 20 0 BCADRP [NH3+]C[C@H](N[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000415073817 386572332 /nfs/dbraw/zinc/57/23/32/386572332.db2.gz ZTYLVGMZTOTNTP-NEPJUHHUSA-N 2 0 211.353 0.846 20 0 BCADRP COCC(C)(C)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415112972 386620892 /nfs/dbraw/zinc/62/08/92/386620892.db2.gz TYRQNPNKGJUYFV-NSHDSACASA-N 2 0 230.352 0.709 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000335497585 386621270 /nfs/dbraw/zinc/62/12/70/386621270.db2.gz YBWQHIPGXAWJBX-GHMZBOCLSA-N 2 0 239.363 0.490 20 0 BCADRP C[NH2+]CCC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647906387 386626760 /nfs/dbraw/zinc/62/67/60/386626760.db2.gz ZTVJPRKWJCPKTJ-CYBMUJFWSA-N 3 0 225.380 0.917 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000353162942 386632526 /nfs/dbraw/zinc/63/25/26/386632526.db2.gz BJSHCBVAADQSIH-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415129374 386635640 /nfs/dbraw/zinc/63/56/40/386635640.db2.gz UNTBKIHPARXERB-NWDGAFQWSA-N 3 0 213.369 0.916 20 0 BCADRP C[NH+](C)CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062851752 386636048 /nfs/dbraw/zinc/63/60/48/386636048.db2.gz IXEVTNCRPHDYQM-LLVKDONJSA-N 2 0 213.325 0.054 20 0 BCADRP Cc1noc(CCC[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000647906741 386639826 /nfs/dbraw/zinc/63/98/26/386639826.db2.gz XZLQZXHQKYAXIL-GXSJLCMTSA-N 2 0 238.335 0.980 20 0 BCADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC000337195605 386644846 /nfs/dbraw/zinc/64/48/46/386644846.db2.gz WAVDAKLQGCRPRO-CHWSQXEVSA-N 2 0 244.379 0.800 20 0 BCADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1[NH3+] ZINC000335511859 386646631 /nfs/dbraw/zinc/64/66/31/386646631.db2.gz AWIOJXHPSYTNSK-MNOVXSKESA-N 2 0 237.347 0.420 20 0 BCADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC000337195607 386646615 /nfs/dbraw/zinc/64/66/15/386646615.db2.gz WAVDAKLQGCRPRO-OLZOCXBDSA-N 2 0 244.379 0.800 20 0 BCADRP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH3+] ZINC000335511861 386646908 /nfs/dbraw/zinc/64/69/08/386646908.db2.gz AWIOJXHPSYTNSK-WDEREUQCSA-N 2 0 237.347 0.420 20 0 BCADRP COC[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)OC ZINC000336758681 386647480 /nfs/dbraw/zinc/64/74/80/386647480.db2.gz IMLCRCITUJZBOE-GRYCIOLGSA-N 2 0 230.352 0.578 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000335515060 386652408 /nfs/dbraw/zinc/65/24/08/386652408.db2.gz GGTIDRRGOWLBPU-NXEZZACHSA-N 2 0 213.325 0.132 20 0 BCADRP CC(C)C[C@@H](C)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000336644900 386600021 /nfs/dbraw/zinc/60/00/21/386600021.db2.gz AUXOINLHSQEBFO-MNOVXSKESA-N 2 0 202.342 0.920 20 0 BCADRP CCCCN(CCO)Cc1noc(CN)n1 ZINC000337085976 386605095 /nfs/dbraw/zinc/60/50/95/386605095.db2.gz ZTXNQGIWGVNQQJ-UHFFFAOYSA-N 2 0 228.296 0.123 20 0 BCADRP [NH3+]CC1(CC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000520219185 386605231 /nfs/dbraw/zinc/60/52/31/386605231.db2.gz YZWJIOIYWHKVQP-LLVKDONJSA-N 2 0 239.363 0.764 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000165107633 386660026 /nfs/dbraw/zinc/66/00/26/386660026.db2.gz DDQKCOLWQCCOIK-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP CC[NH2+]CCN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000414820101 386664701 /nfs/dbraw/zinc/66/47/01/386664701.db2.gz AGQRECWRYOKHSO-NWDGAFQWSA-N 2 0 213.369 0.916 20 0 BCADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000335522469 386665030 /nfs/dbraw/zinc/66/50/30/386665030.db2.gz VOOORLGSESFFMK-TXEJJXNPSA-N 2 0 239.363 0.524 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042165452 386674263 /nfs/dbraw/zinc/67/42/63/386674263.db2.gz WESQIKMDRABWAT-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+]C[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000414821510 386678276 /nfs/dbraw/zinc/67/82/76/386678276.db2.gz CIECSPCQWSYGRK-IJLUTSLNSA-N 3 0 211.353 0.716 20 0 BCADRP CC[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000042308886 386679364 /nfs/dbraw/zinc/67/93/64/386679364.db2.gz TXZCQXYIKAVAQL-CYBMUJFWSA-N 2 0 241.379 0.393 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000335520124 386656848 /nfs/dbraw/zinc/65/68/48/386656848.db2.gz DWAQCQMTHQCHLX-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP Cn1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1=O ZINC000647951250 386657556 /nfs/dbraw/zinc/65/75/56/386657556.db2.gz MUDIWAYELGFUSI-LBPRGKRZSA-N 2 0 249.358 0.946 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN(CCOCC[NH3+])C1 ZINC000357079451 386710907 /nfs/dbraw/zinc/71/09/07/386710907.db2.gz SOEABGVXJISFDC-CYBMUJFWSA-N 2 0 243.395 0.625 20 0 BCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000335468100 386684165 /nfs/dbraw/zinc/68/41/65/386684165.db2.gz KDRMCCISQAFKMB-NWDGAFQWSA-N 2 0 239.363 0.395 20 0 BCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000335468101 386684263 /nfs/dbraw/zinc/68/42/63/386684263.db2.gz KDRMCCISQAFKMB-RYUDHWBXSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@@H]1C[C@H]([N@H+](C)CCOCC[NH3+])CCN1C ZINC000357077621 386711700 /nfs/dbraw/zinc/71/17/00/386711700.db2.gz PUNGGDGCWYMTGY-VXGBXAGGSA-N 2 0 229.368 0.376 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000520547003 386693892 /nfs/dbraw/zinc/69/38/92/386693892.db2.gz KCCNLWWVDKSCJZ-SDDRHHMPSA-N 2 0 241.379 0.816 20 0 BCADRP [NH3+]CCOCC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000357032709 386696991 /nfs/dbraw/zinc/69/69/91/386696991.db2.gz SBRBZVZBDZOIFW-LLVKDONJSA-N 2 0 228.336 0.463 20 0 BCADRP C[C@@H](C(=O)N(C)C)N(C)CCC[NH+]1CCCC1 ZINC000337278204 386699118 /nfs/dbraw/zinc/69/91/18/386699118.db2.gz SKMJEEUPPSPEEF-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000335477417 386703317 /nfs/dbraw/zinc/70/33/17/386703317.db2.gz FZEXXXWBOKJKIG-WDEREUQCSA-N 2 0 227.352 0.666 20 0 BCADRP C[NH2+]CCNCc1cccc2c1NCC2 ZINC000414830338 386706158 /nfs/dbraw/zinc/70/61/58/386706158.db2.gz NXJGDQXLKUDYTD-UHFFFAOYSA-N 2 0 205.305 0.964 20 0 BCADRP C[C@]1(F)C[NH2+]CCN(CC2(C[NH3+])CC2)C1 ZINC000335480243 386707202 /nfs/dbraw/zinc/70/72/02/386707202.db2.gz MOUXXJFBSHRGFE-JTQLQIEISA-N 2 0 215.316 0.359 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C2CCOCC2)C1 ZINC000520609890 386707983 /nfs/dbraw/zinc/70/79/83/386707983.db2.gz NJGOAEKZIOPQOX-FRRDWIJNSA-N 2 0 242.363 0.633 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645105484 386724960 /nfs/dbraw/zinc/72/49/60/386724960.db2.gz RLXZMFGTWBLDPX-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044752375 386727794 /nfs/dbraw/zinc/72/77/94/386727794.db2.gz JEJHJKADJAQLKB-SECBINFHSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](C(=O)NC[C@@H]1CCC[NH2+]C1)[C@H](C)[NH3+] ZINC000191987330 386729654 /nfs/dbraw/zinc/72/96/54/386729654.db2.gz LGGLJMPNLUYTTI-KXUCPTDWSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000357246597 386745742 /nfs/dbraw/zinc/74/57/42/386745742.db2.gz YHAQOZXAIBOEAY-NEPJUHHUSA-N 2 0 239.363 0.526 20 0 BCADRP O=C(C[NH2+]C1CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638509542 386746225 /nfs/dbraw/zinc/74/62/25/386746225.db2.gz SRZFATARVMFJQC-SNVBAGLBSA-N 2 0 223.320 0.139 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000357256644 386747320 /nfs/dbraw/zinc/74/73/20/386747320.db2.gz NIUUKMHVDPRVIM-LBPRGKRZSA-N 2 0 249.358 0.611 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CC[NH2+]C23CCC3)CCC1 ZINC000638508635 386749056 /nfs/dbraw/zinc/74/90/56/386749056.db2.gz OOMWGZNJKAZQTH-VIFPVBQESA-N 2 0 223.320 0.269 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000357253945 386749345 /nfs/dbraw/zinc/74/93/45/386749345.db2.gz XOUNVTPTMWGLGA-GXSJLCMTSA-N 2 0 225.336 0.276 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000366530983 386751965 /nfs/dbraw/zinc/75/19/65/386751965.db2.gz RSHHFTRIHQNWOF-NNYUYHANSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000357290350 386752902 /nfs/dbraw/zinc/75/29/02/386752902.db2.gz CYHHZVUAWQSTNL-FIQHERPVSA-N 2 0 241.379 0.720 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000357290352 386754195 /nfs/dbraw/zinc/75/41/95/386754195.db2.gz CYHHZVUAWQSTNL-WHOHXGKFSA-N 2 0 241.379 0.720 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357302121 386756615 /nfs/dbraw/zinc/75/66/15/386756615.db2.gz PSFIRIYGJSIHLQ-VPOLOUISSA-N 2 0 227.352 0.617 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC000336664327 386761826 /nfs/dbraw/zinc/76/18/26/386761826.db2.gz DVHZPVHCWZHVMS-VIFPVBQESA-N 2 0 201.314 0.051 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000417800894 386762718 /nfs/dbraw/zinc/76/27/18/386762718.db2.gz TXMHPXRZOCGYFH-GARJFASQSA-N 2 0 227.352 0.346 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000417801536 386764854 /nfs/dbraw/zinc/76/48/54/386764854.db2.gz UJWPBZMBUDYUOK-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000357362087 386768210 /nfs/dbraw/zinc/76/82/10/386768210.db2.gz GUEIGGRAONEMEZ-NEPJUHHUSA-N 2 0 239.363 0.858 20 0 BCADRP [NH3+]C[C@H](N[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000414838938 386742792 /nfs/dbraw/zinc/74/27/92/386742792.db2.gz KYVMEXYIFATODR-RYUDHWBXSA-N 2 0 211.353 0.846 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)CC[NH2+]C ZINC000357225453 386742947 /nfs/dbraw/zinc/74/29/47/386742947.db2.gz NHLRMYPSFSGCAD-NSHDSACASA-N 2 0 245.367 0.069 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@]12C[NH2+]C[C@@H]1CCCC2 ZINC000357229278 386743245 /nfs/dbraw/zinc/74/32/45/386743245.db2.gz VOKIHXYPBSDNDN-MDZLAQPJSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1COCC[C@H]1[NH2+]CCC[NH+](C)C ZINC000192129316 386743831 /nfs/dbraw/zinc/74/38/31/386743831.db2.gz UOBVKAWIGPKZTN-GHMZBOCLSA-N 2 0 200.326 0.953 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000357241176 386744076 /nfs/dbraw/zinc/74/40/76/386744076.db2.gz MQHMDAOLYRUGDU-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000357234099 386744100 /nfs/dbraw/zinc/74/41/00/386744100.db2.gz ARHFVUYKCLRNEN-LOWVWBTDSA-N 2 0 237.347 0.326 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000417828624 386790685 /nfs/dbraw/zinc/79/06/85/386790685.db2.gz FQWAZZHIRCIPBR-GZMMTYOYSA-N 2 0 225.336 0.323 20 0 BCADRP Cc1noc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000125291195 386791005 /nfs/dbraw/zinc/79/10/05/386791005.db2.gz RHCOBNMGNLQXJO-AXFHLTTASA-N 2 0 236.319 0.937 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N(C)CC[NH3+] ZINC000417833974 386793565 /nfs/dbraw/zinc/79/35/65/386793565.db2.gz JUSVBOSCXUIEMB-NSHDSACASA-N 2 0 221.304 0.412 20 0 BCADRP CN(CC[NH3+])C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000417835102 386794222 /nfs/dbraw/zinc/79/42/22/386794222.db2.gz KKMGHNHYIUAHPX-GFCCVEGCSA-N 2 0 221.304 0.278 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000417837157 386795981 /nfs/dbraw/zinc/79/59/81/386795981.db2.gz XLYANVNXFKMXNN-AXFHLTTASA-N 2 0 227.352 0.489 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc2c(c1)nnn2C ZINC000414844019 386770619 /nfs/dbraw/zinc/77/06/19/386770619.db2.gz QWPTZIXLPAORCW-JTQLQIEISA-N 2 0 247.346 0.913 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366537484 386772693 /nfs/dbraw/zinc/77/26/93/386772693.db2.gz YIYDBGYHPBAKIH-RYUDHWBXSA-N 2 0 244.404 0.738 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](CO)O2)CC[N@@H+]1C ZINC000340415945 386779580 /nfs/dbraw/zinc/77/95/80/386779580.db2.gz YWIUPJCGHNAPEE-NDBYEHHHSA-N 2 0 242.363 0.599 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000417827941 386783842 /nfs/dbraw/zinc/78/38/42/386783842.db2.gz DVNJQNJLXMSPRV-UTUOFQBUSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C[C@H]1C[NH3+] ZINC000417827136 386784667 /nfs/dbraw/zinc/78/46/67/386784667.db2.gz CVAPQGDUEUNYCU-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000417827146 386784937 /nfs/dbraw/zinc/78/49/37/386784937.db2.gz CVAPQGDUEUNYCU-WOPDTQHZSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417836396 386796639 /nfs/dbraw/zinc/79/66/39/386796639.db2.gz OPIQRNATWYHYCE-GXSJLCMTSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000414935765 386817274 /nfs/dbraw/zinc/81/72/74/386817274.db2.gz UQOUWXNSYUPDGJ-IJLUTSLNSA-N 2 0 211.353 0.574 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000418000672 386818602 /nfs/dbraw/zinc/81/86/02/386818602.db2.gz JRPMIOZISLCSCU-OUAUKWLOSA-N 2 0 242.367 0.506 20 0 BCADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H](C)[NH3+] ZINC000417840846 386799201 /nfs/dbraw/zinc/79/92/01/386799201.db2.gz SMLAGOPAAJLYBG-CABZTGNLSA-N 2 0 235.331 0.712 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000417841521 386800250 /nfs/dbraw/zinc/80/02/50/386800250.db2.gz XLXMFAZIWHHQSB-RHYQMDGZSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417841823 386800570 /nfs/dbraw/zinc/80/05/70/386800570.db2.gz UGZSROQCRDBSLF-BXKDBHETSA-N 2 0 239.363 0.761 20 0 BCADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)C1([NH3+])CC1 ZINC000417843858 386800591 /nfs/dbraw/zinc/80/05/91/386800591.db2.gz VVXXVDIWUIHASB-LBPRGKRZSA-N 2 0 247.342 0.856 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC[NH3+])C1 ZINC000417853825 386802778 /nfs/dbraw/zinc/80/27/78/386802778.db2.gz PNYJYRKKZCGUSG-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000417847420 386804192 /nfs/dbraw/zinc/80/41/92/386804192.db2.gz UQOWEOKDLFITBD-RCWTZXSCSA-N 2 0 225.336 0.323 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417847091 386804956 /nfs/dbraw/zinc/80/49/56/386804956.db2.gz ZBBNBESUPPDURA-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000417845532 386805300 /nfs/dbraw/zinc/80/53/00/386805300.db2.gz RZEYPEPDJJOOSS-UHTWSYAYSA-N 2 0 247.342 0.677 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000417845531 386805880 /nfs/dbraw/zinc/80/58/80/386805880.db2.gz RZEYPEPDJJOOSS-DRZSPHRISA-N 2 0 247.342 0.677 20 0 BCADRP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)CCC[N@@H+]1C ZINC000417993828 386810411 /nfs/dbraw/zinc/81/04/11/386810411.db2.gz BBMYQEVVBLNDOX-GMTAPVOTSA-N 2 0 240.351 0.212 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)NC1CC[NH+](C)CC1 ZINC000349526604 386853082 /nfs/dbraw/zinc/85/30/82/386853082.db2.gz QJDZBMLCYWXOEC-JTQLQIEISA-N 2 0 242.367 0.330 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000366554727 386831028 /nfs/dbraw/zinc/83/10/28/386831028.db2.gz KVHSDMZGRGLWEH-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366555787 386834152 /nfs/dbraw/zinc/83/41/52/386834152.db2.gz NLEHUBXBLGVQFM-UWVGGRQHSA-N 2 0 231.315 0.144 20 0 BCADRP CCN(C)C(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357734074 386836939 /nfs/dbraw/zinc/83/69/39/386836939.db2.gz RAJDNCRVYUIPIW-NWDGAFQWSA-N 2 0 241.379 0.879 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336675158 386854967 /nfs/dbraw/zinc/85/49/67/386854967.db2.gz VCTLBEMMRIHCDT-GHMZBOCLSA-N 2 0 226.320 0.481 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NCC[NH2+]C(C)(C)C ZINC000414937994 386857120 /nfs/dbraw/zinc/85/71/20/386857120.db2.gz VUBLYFMVPPLBNT-QWRGUYRKSA-N 2 0 213.369 0.962 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1CCC[NH2+]C1 ZINC000414938784 386858613 /nfs/dbraw/zinc/85/86/13/386858613.db2.gz FIJJRDZQPUQFQB-SDDRHHMPSA-N 2 0 211.353 0.716 20 0 BCADRP C[NH+](C)C1(CNC(=O)[C@H]2CC[NH2+]C2)CCCC1 ZINC000125659910 386863759 /nfs/dbraw/zinc/86/37/59/386863759.db2.gz DXABXFALIVQENQ-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000052061972 386874621 /nfs/dbraw/zinc/87/46/21/386874621.db2.gz OTIJVMXEOJAJHK-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@H]1[C@@H](NC(=O)N(C)CC[NH3+])CCC[N@@H+]1C ZINC000418009663 386884215 /nfs/dbraw/zinc/88/42/15/386884215.db2.gz UYIWQYBNIRAZBR-UWVGGRQHSA-N 2 0 228.340 0.069 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@H](O)C2(CC2)C1 ZINC000334852659 386902750 /nfs/dbraw/zinc/90/27/50/386902750.db2.gz XDEIIEYJVORAAF-RYUDHWBXSA-N 2 0 224.348 0.927 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000418012779 386907471 /nfs/dbraw/zinc/90/74/71/386907471.db2.gz YKNSVOBQXYXWLB-OPRDCNLKSA-N 2 0 228.340 0.116 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000368101959 386939898 /nfs/dbraw/zinc/93/98/98/386939898.db2.gz MABOMGMOGFIVDD-NWDGAFQWSA-N 2 0 239.363 0.393 20 0 BCADRP CC(C)[C@H]([NH3+])CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000332014262 386940354 /nfs/dbraw/zinc/94/03/54/386940354.db2.gz PZTSTOAHMCMOPG-IJLUTSLNSA-N 2 0 213.369 0.947 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368104196 386942733 /nfs/dbraw/zinc/94/27/33/386942733.db2.gz CKZWEUFBNMBPNI-RYUDHWBXSA-N 2 0 239.363 0.396 20 0 BCADRP [NH3+]C1(CN[C@H]2CCC[NH2+]C2)CCCCC1 ZINC000334817524 386944528 /nfs/dbraw/zinc/94/45/28/386944528.db2.gz HRBDEHQAUUZQDN-NSHDSACASA-N 2 0 211.353 0.990 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000368126982 386945035 /nfs/dbraw/zinc/94/50/35/386945035.db2.gz VEGUXGAHUXOFCQ-WOPDTQHZSA-N 2 0 239.363 0.441 20 0 BCADRP C[C@@H]1NCCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000334822825 386952570 /nfs/dbraw/zinc/95/25/70/386952570.db2.gz XGSITQYDKWAAFW-CMPLNLGQSA-N 2 0 211.353 0.716 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000368261041 386955345 /nfs/dbraw/zinc/95/53/45/386955345.db2.gz AGTILRWZKHFUMX-ZRUFSTJUSA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+]CC1(CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000514598980 387007262 /nfs/dbraw/zinc/00/72/62/387007262.db2.gz HJKLRLKVZMTTBS-SNVBAGLBSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@]1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CCCC[NH2+]1 ZINC000368372844 386966320 /nfs/dbraw/zinc/96/63/20/386966320.db2.gz CHVJYMOQPGQHFM-DMDPSCGWSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H]1CCN(C(=O)CCCC[NH3+])C[C@@H]1C[NH3+] ZINC000518977410 386967617 /nfs/dbraw/zinc/96/76/17/386967617.db2.gz PDQFBJLAIQDHCS-QWRGUYRKSA-N 2 0 227.352 0.559 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000368453513 386974724 /nfs/dbraw/zinc/97/47/24/386974724.db2.gz KPUSQIHRWAEXBN-KOLCDFICSA-N 2 0 231.315 0.144 20 0 BCADRP COCC[N@H+](C)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000395198310 386981913 /nfs/dbraw/zinc/98/19/13/386981913.db2.gz UFKRWCVDNSLWKG-QWHCGFSZSA-N 2 0 243.395 0.685 20 0 BCADRP C[C@H](C[NH2+][C@H](C)CC(N)=O)C[NH+]1CCCCC1 ZINC000341888828 386983732 /nfs/dbraw/zinc/98/37/32/386983732.db2.gz NGXAERZNAXLGEZ-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[NH2+]CC1 ZINC000334916542 386992137 /nfs/dbraw/zinc/99/21/37/386992137.db2.gz BWJJWRVJSYNJHL-LLVKDONJSA-N 2 0 240.351 0.086 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000334921170 386997507 /nfs/dbraw/zinc/99/75/07/386997507.db2.gz DLGMIPHDFUFFDL-QWRGUYRKSA-N 2 0 240.351 0.084 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000334921169 386997647 /nfs/dbraw/zinc/99/76/47/386997647.db2.gz DLGMIPHDFUFFDL-MNOVXSKESA-N 2 0 240.351 0.084 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000104444674 387004864 /nfs/dbraw/zinc/00/48/64/387004864.db2.gz YAZJZORKRNRJDS-JTQLQIEISA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000648111080 386950011 /nfs/dbraw/zinc/95/00/11/386950011.db2.gz VFNGGWSQPGYXNL-GDNZZTSVSA-N 2 0 231.299 0.549 20 0 BCADRP CC(=O)N1CCC([NH2+][C@@H]2CN(C)C[C@H]2C)CC1 ZINC000358411491 386952024 /nfs/dbraw/zinc/95/20/24/386952024.db2.gz YYEPDNDQJQSVSD-ZWNOBZJWSA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000334953672 387030370 /nfs/dbraw/zinc/03/03/70/387030370.db2.gz SVPGWFKTRLQYGJ-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]([NH3+])C1CCC1)C1CC1 ZINC000399005609 387036794 /nfs/dbraw/zinc/03/67/94/387036794.db2.gz XRPSDWDXRPTOKL-NSHDSACASA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000398998474 387037297 /nfs/dbraw/zinc/03/72/97/387037297.db2.gz BKLDRYRWUGVMHR-JQWIXIFHSA-N 2 0 241.379 0.960 20 0 BCADRP CN(CC[NH3+])C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000334960165 387038689 /nfs/dbraw/zinc/03/86/89/387038689.db2.gz GAODJEHMZYMYBF-LBPRGKRZSA-N 2 0 233.315 0.118 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000334959592 387039358 /nfs/dbraw/zinc/03/93/58/387039358.db2.gz ARJXAHHYWXNJPS-YPMHNXCESA-N 2 0 247.342 0.754 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000334960174 387039566 /nfs/dbraw/zinc/03/95/66/387039566.db2.gz GEHRTVHLZZGNRY-WCQYABFASA-N 2 0 247.342 0.897 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000648107859 387049725 /nfs/dbraw/zinc/04/97/25/387049725.db2.gz WKXBFRBHBWXVRI-WHOHXGKFSA-N 2 0 239.363 0.522 20 0 BCADRP COCC[C@@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313388937 387051166 /nfs/dbraw/zinc/05/11/66/387051166.db2.gz LWLHCIULHGENBD-GHMZBOCLSA-N 2 0 216.325 0.461 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CCC(C)(C)[NH3+] ZINC000648107967 387051969 /nfs/dbraw/zinc/05/19/69/387051969.db2.gz HTJMBUZECWCALG-VHSXEESVSA-N 2 0 227.352 0.713 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399085609 387054437 /nfs/dbraw/zinc/05/44/37/387054437.db2.gz RCUVZCWXJNYRQT-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP C[C@]1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCC[NH2+]C1 ZINC000648108938 387064073 /nfs/dbraw/zinc/06/40/73/387064073.db2.gz FCKCKBSYQQAAHH-DCQANWLSSA-N 2 0 237.347 0.243 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@H]3CCC[NH2+]3)C[C@H]21 ZINC000648108930 387064584 /nfs/dbraw/zinc/06/45/84/387064584.db2.gz CYNFDDZBUJJBTO-IRCOFANPSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C[C@@H]21 ZINC000648109044 387064975 /nfs/dbraw/zinc/06/49/75/387064975.db2.gz OQBLFSSATZFPBS-QYKGAGETSA-N 2 0 249.358 0.323 20 0 BCADRP CC1(C)CN(C(=O)NCC2([NH3+])CCC2)CC[NH2+]1 ZINC000334934302 387010211 /nfs/dbraw/zinc/01/02/11/387010211.db2.gz YJWQAZBBEDTZRI-UHFFFAOYSA-N 2 0 240.351 0.261 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)C1CC([NH3+])C1 ZINC000334933948 387010908 /nfs/dbraw/zinc/01/09/08/387010908.db2.gz JLKWGDNGKQLYOC-PMUOWJKOSA-N 2 0 240.351 0.116 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000368806466 387012206 /nfs/dbraw/zinc/01/22/06/387012206.db2.gz NZPVEXIRFFKWPM-JQWIXIFHSA-N 2 0 225.336 0.054 20 0 BCADRP O=C([C@H]1CCC[NH2+]1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000648103333 387019848 /nfs/dbraw/zinc/01/98/48/387019848.db2.gz JGMNGZMDXBLDLZ-GHMZBOCLSA-N 2 0 223.320 0.091 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648103894 387021753 /nfs/dbraw/zinc/02/17/53/387021753.db2.gz DYRPMRSNVWGSCU-IVZWLZJFSA-N 2 0 213.325 0.038 20 0 BCADRP CC(C)[C@H](C)[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298652 387022419 /nfs/dbraw/zinc/02/24/19/387022419.db2.gz RQEXRGACHBXIFG-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000333237285 387022753 /nfs/dbraw/zinc/02/27/53/387022753.db2.gz DFPAMVDNCRQUPE-BJDJZHNGSA-N 2 0 239.363 0.631 20 0 BCADRP COC[C@@H]1CCN1Cc1cnc(N(C)C)n1C ZINC000425367066 387024136 /nfs/dbraw/zinc/02/41/36/387024136.db2.gz GVBCNYMUVQYFCZ-JTQLQIEISA-N 2 0 238.335 0.707 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648105470 387024232 /nfs/dbraw/zinc/02/42/32/387024232.db2.gz BDBRBEWWMRTXEJ-SECBINFHSA-N 2 0 249.305 0.347 20 0 BCADRP [NH3+][C@@H]1C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc21 ZINC000333280405 387025659 /nfs/dbraw/zinc/02/56/59/387025659.db2.gz MIWLLCKBFWCKKU-BJJPWKGXSA-N 2 0 229.327 0.939 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000070316058 387066186 /nfs/dbraw/zinc/06/61/86/387066186.db2.gz YFWHQBORIHQALT-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[NH+](C)CC2)C1 ZINC000519176549 387028399 /nfs/dbraw/zinc/02/83/99/387028399.db2.gz BBQWTNHTMVDMRN-LBPRGKRZSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)NCC1([NH+](C)C)CCC1 ZINC000418044317 387074916 /nfs/dbraw/zinc/07/49/16/387074916.db2.gz AWCVJFNKEDTRLG-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000369889395 387075842 /nfs/dbraw/zinc/07/58/42/387075842.db2.gz RJXISEQIIWVWTQ-HNCHTBHHSA-N 2 0 237.347 0.372 20 0 BCADRP CN(CC1CC1)C(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359274805 387077423 /nfs/dbraw/zinc/07/74/23/387077423.db2.gz KEGPELMESVAXLV-TXEJJXNPSA-N 2 0 237.347 0.006 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000418069155 387083326 /nfs/dbraw/zinc/08/33/26/387083326.db2.gz ZMHPWSLHMYIFCK-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP c1cnn(CC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000334993417 387083813 /nfs/dbraw/zinc/08/38/13/387083813.db2.gz QJMASEYMTVLNQT-CYBMUJFWSA-N 2 0 234.347 0.959 20 0 BCADRP COC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000334995914 387088853 /nfs/dbraw/zinc/08/88/53/387088853.db2.gz GQKBBYLPHUCJJH-SNVBAGLBSA-N 2 0 226.320 0.623 20 0 BCADRP CC[N@H+](CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+])C1CC1 ZINC000417427480 387090744 /nfs/dbraw/zinc/09/07/44/387090744.db2.gz JCUVMXKRIYZZJO-ZJUUUORDSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000370664558 387131227 /nfs/dbraw/zinc/13/12/27/387131227.db2.gz IFGYPZCEIDVALY-SNVBAGLBSA-N 2 0 239.363 0.857 20 0 BCADRP CC[C@@]1(C(=O)NCC2=CC[NH2+]CC2)CCC[NH2+]1 ZINC000186382410 387101002 /nfs/dbraw/zinc/10/10/02/387101002.db2.gz QVJRCMDXOZUGBD-ZDUSSCGKSA-N 2 0 237.347 0.555 20 0 BCADRP COC(=O)CCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228543454 387103284 /nfs/dbraw/zinc/10/32/84/387103284.db2.gz GKGTVZTYFKPGBH-QJPTWQEYSA-N 2 0 240.347 0.999 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000370661001 387131775 /nfs/dbraw/zinc/13/17/75/387131775.db2.gz ZSIJTCFBGZLGRM-RKDXNWHRSA-N 2 0 248.330 0.649 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186518022 387107604 /nfs/dbraw/zinc/10/76/04/387107604.db2.gz PVGJESZBJMJURF-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP C[C@]1(CNC(=O)N2CC[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000334946064 387109264 /nfs/dbraw/zinc/10/92/64/387109264.db2.gz OPEPSOBORMBHHW-PWSUYJOCSA-N 2 0 240.351 0.119 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000334950431 387114703 /nfs/dbraw/zinc/11/47/03/387114703.db2.gz LHEXOOJTABRGAE-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000336286746 387120211 /nfs/dbraw/zinc/12/02/11/387120211.db2.gz RFTRZSQRXRKDCJ-PWSUYJOCSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000186689079 387122062 /nfs/dbraw/zinc/12/20/62/387122062.db2.gz PZXUIGFNNUPKAU-QWRGUYRKSA-N 2 0 239.363 0.620 20 0 BCADRP Cc1c[nH+]ccc1NCCCN1CCNC(=O)C1 ZINC000359575978 387125385 /nfs/dbraw/zinc/12/53/85/387125385.db2.gz ADHBDGRVYUAFDM-UHFFFAOYSA-N 2 0 248.330 0.046 20 0 BCADRP CCC[NH2+]CCN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000423305680 387142004 /nfs/dbraw/zinc/14/20/04/387142004.db2.gz CCOPLZGMONJLBC-NEPJUHHUSA-N 2 0 213.369 0.916 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000423308048 387142646 /nfs/dbraw/zinc/14/26/46/387142646.db2.gz XENIDKKPRFSLPM-GMXVVIOVSA-N 2 0 223.364 0.811 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000353155401 387145718 /nfs/dbraw/zinc/14/57/18/387145718.db2.gz AYEGHHSHWJANNC-WOPDTQHZSA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@H](NC[C@H]([NH3+])C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423311613 387148171 /nfs/dbraw/zinc/14/81/71/387148171.db2.gz CCUMLPVIMZLTAF-SRVKXCTJSA-N 2 0 211.353 0.844 20 0 BCADRP COCC[NH2+]CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000423314145 387154860 /nfs/dbraw/zinc/15/48/60/387154860.db2.gz GRSAELUKEUIUJG-JHJVBQTASA-N 2 0 243.395 0.541 20 0 BCADRP CC[C@H](Cn1cncn1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000353380436 387192891 /nfs/dbraw/zinc/19/28/91/387192891.db2.gz BXYGAEAPCTWPKG-NWDGAFQWSA-N 2 0 239.367 0.987 20 0 BCADRP C[NH+](C)[C@]1(CNC(=O)C2([NH3+])CC2)CCSC1 ZINC000353211650 387158708 /nfs/dbraw/zinc/15/87/08/387158708.db2.gz IMEGWQUXJRCFHV-JTQLQIEISA-N 2 0 243.376 0.031 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062860554 387164094 /nfs/dbraw/zinc/16/40/94/387164094.db2.gz JBFREGNAKPUUQC-ZDUSSCGKSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062852624 387164504 /nfs/dbraw/zinc/16/45/04/387164504.db2.gz KXYIHFVNDKAQEL-GFCCVEGCSA-N 2 0 227.352 0.444 20 0 BCADRP C[C@@]1(CN2CC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000336361256 387193497 /nfs/dbraw/zinc/19/34/97/387193497.db2.gz IACGHLWPEFFECB-CHWSQXEVSA-N 2 0 223.364 0.671 20 0 BCADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423331646 387175223 /nfs/dbraw/zinc/17/52/23/387175223.db2.gz CQORYPTUMLARAO-FZMZJTMJSA-N 2 0 235.375 0.978 20 0 BCADRP COc1ccc2c(c1)C[C@H]([NH2+]CC1C[NH2+]C1)CO2 ZINC000423331701 387178221 /nfs/dbraw/zinc/17/82/21/387178221.db2.gz UTLVBGMJODHSCG-LBPRGKRZSA-N 2 0 248.326 0.808 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000371261763 387184179 /nfs/dbraw/zinc/18/41/79/387184179.db2.gz CRMCSGUUJVWIQA-GARJFASQSA-N 2 0 225.336 0.419 20 0 BCADRP C[N@H+](CCCN1CCOCC1)[C@@H](CN)C1CC1 ZINC000359893337 387185808 /nfs/dbraw/zinc/18/58/08/387185808.db2.gz CBISZYDIAFJHHP-ZDUSSCGKSA-N 2 0 241.379 0.378 20 0 BCADRP COC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229622483 387186247 /nfs/dbraw/zinc/18/62/47/387186247.db2.gz KJZWSUIFIAPKKQ-FRRDWIJNSA-N 2 0 242.363 0.600 20 0 BCADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCO ZINC000371300065 387188538 /nfs/dbraw/zinc/18/85/38/387188538.db2.gz MOHHNBGQQNZEAW-WOPDTQHZSA-N 2 0 228.336 0.162 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062972440 387189613 /nfs/dbraw/zinc/18/96/13/387189613.db2.gz YYUFRSWATSGNFV-WDEREUQCSA-N 2 0 227.352 0.666 20 0 BCADRP C[N@@H+]1CC[C@H](NC2C[NH2+]C2)[C@H]2CCC[C@@H]21 ZINC000571908122 387190185 /nfs/dbraw/zinc/19/01/85/387190185.db2.gz FHKKTKZKPYHQGC-WOPDTQHZSA-N 2 0 209.337 0.421 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000571879958 387191496 /nfs/dbraw/zinc/19/14/96/387191496.db2.gz DUJSTDNMMIMELF-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000237922256 387138018 /nfs/dbraw/zinc/13/80/18/387138018.db2.gz INUVMVXCANXLIV-CHWSQXEVSA-N 2 0 245.326 0.261 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000248488856 387138909 /nfs/dbraw/zinc/13/89/09/387138909.db2.gz MPNKOCCDGXTYSA-RHYQMDGZSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@H](C[NH3+])CN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423305004 387139139 /nfs/dbraw/zinc/13/91/39/387139139.db2.gz ZXECVMNEDAPHCW-MXWKQRLJSA-N 2 0 211.353 0.796 20 0 BCADRP CCC[NH2+]CCN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000423305682 387141178 /nfs/dbraw/zinc/14/11/78/387141178.db2.gz CCOPLZGMONJLBC-RYUDHWBXSA-N 2 0 213.369 0.916 20 0 BCADRP C[C@@H](NCC[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000423352260 387202147 /nfs/dbraw/zinc/20/21/47/387202147.db2.gz AENIPDFTCZXPMM-IJLUTSLNSA-N 2 0 211.353 0.859 20 0 BCADRP COC[C@H](CCO)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000300409846 387205668 /nfs/dbraw/zinc/20/56/68/387205668.db2.gz BZBKUXGHTDSPSR-MROQNXINSA-N 2 0 244.379 0.702 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336374082 387205799 /nfs/dbraw/zinc/20/57/99/387205799.db2.gz ZEUUCFWOENTPEN-QWHCGFSZSA-N 3 0 223.364 0.527 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCO1 ZINC000300413773 387207054 /nfs/dbraw/zinc/20/70/54/387207054.db2.gz CXVXBYDENWUSDU-UPJWGTAASA-N 2 0 242.363 0.600 20 0 BCADRP COC[C@H](O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000300414285 387208286 /nfs/dbraw/zinc/20/82/86/387208286.db2.gz KUQNFOHZSMLBTJ-WUHRBBMRSA-N 2 0 244.379 0.702 20 0 BCADRP CC[N@@H+]1C[C@@H](C)[C@@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000423361226 387212390 /nfs/dbraw/zinc/21/23/90/387212390.db2.gz RIFYWLYSTIMCIR-UTUOFQBUSA-N 2 0 211.353 0.668 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000336381384 387212409 /nfs/dbraw/zinc/21/24/09/387212409.db2.gz ZQDOOYLIQRHXHH-LBPRGKRZSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423359893 387213144 /nfs/dbraw/zinc/21/31/44/387213144.db2.gz PVKGBIJJVHFCRU-TUAOUCFPSA-N 2 0 211.353 0.716 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418192966 387215581 /nfs/dbraw/zinc/21/55/81/387215581.db2.gz BCKMOIDLTUGQHD-AXFHLTTASA-N 2 0 244.383 0.750 20 0 BCADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)CC[NH3+] ZINC000418195943 387216595 /nfs/dbraw/zinc/21/65/95/387216595.db2.gz CJEFHPKSWSOIHH-LLVKDONJSA-N 2 0 244.383 0.707 20 0 BCADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)CC[NH3+] ZINC000418195944 387216750 /nfs/dbraw/zinc/21/67/50/387216750.db2.gz CJEFHPKSWSOIHH-NSHDSACASA-N 2 0 244.383 0.707 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H](C)C[NH+](C)C ZINC000418203805 387216995 /nfs/dbraw/zinc/21/69/95/387216995.db2.gz KQAMLLGCMHOSPE-QWRGUYRKSA-N 2 0 244.383 0.609 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC([NH3+])CC2)cc1 ZINC000336421302 387252973 /nfs/dbraw/zinc/25/29/73/387252973.db2.gz RXWIWSDQKDTZPD-CYBMUJFWSA-N 2 0 247.342 0.945 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000418206147 387220408 /nfs/dbraw/zinc/22/04/08/387220408.db2.gz OCXUSVOSVMDUIR-DCAQKATOSA-N 2 0 242.367 0.315 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000572030472 387222202 /nfs/dbraw/zinc/22/22/02/387222202.db2.gz SWJJANUUVPJUDH-SFYZADRCSA-N 2 0 201.314 0.071 20 0 BCADRP C[C@H](N[C@@H]1C[NH2+]CC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423370047 387223236 /nfs/dbraw/zinc/22/32/36/387223236.db2.gz UBBVCYISOKFXLQ-NOOOWODRSA-N 2 0 211.353 0.715 20 0 BCADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423428014 387253163 /nfs/dbraw/zinc/25/31/63/387253163.db2.gz IVHIEWAJPITYDJ-IEECTRCBSA-N 2 0 224.348 0.999 20 0 BCADRP C[C@H]([NH3+])C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000353574842 387228966 /nfs/dbraw/zinc/22/89/66/387228966.db2.gz DFEVBKWXABMSIF-MXWKQRLJSA-N 2 0 227.352 0.713 20 0 BCADRP COCC[NH2+]CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423326017 387229531 /nfs/dbraw/zinc/22/95/31/387229531.db2.gz IXBVVOKGDGBQPA-ZIAGYGMSSA-N 2 0 249.358 0.957 20 0 BCADRP CC[NH2+][C@H](C)CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423399511 387233899 /nfs/dbraw/zinc/23/38/99/387233899.db2.gz WHJOXRMGOQRFGA-WXHSDQCUSA-N 2 0 241.379 0.341 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000572122232 387239688 /nfs/dbraw/zinc/23/96/88/387239688.db2.gz WKRGGXWKJYIHDQ-WOPDTQHZSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423408292 387242548 /nfs/dbraw/zinc/24/25/48/387242548.db2.gz XFBIRXWCIYHHTQ-LOWVWBTDSA-N 2 0 239.363 0.585 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000423406848 387243477 /nfs/dbraw/zinc/24/34/77/387243477.db2.gz VEBNLCBNETVXPI-YVECIDJPSA-N 2 0 225.380 0.914 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000336417945 387243444 /nfs/dbraw/zinc/24/34/44/387243444.db2.gz HTWURDSGPNQXDZ-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CC1(C[NH3+])CC1 ZINC000423408763 387245237 /nfs/dbraw/zinc/24/52/37/387245237.db2.gz XXXLFWIZUKVGIU-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP COC[C@@]1(C[NH2+][C@H](C)CCCC[NH3+])CCC[NH2+]1 ZINC000423412581 387246138 /nfs/dbraw/zinc/24/61/38/387246138.db2.gz IAZBOLVDMFEBHB-OLZOCXBDSA-N 3 0 243.395 0.862 20 0 BCADRP COC[C@]1(CN[C@H]2C[NH2+]CC[C@H]2C)CCC[NH2+]1 ZINC000423417246 387249217 /nfs/dbraw/zinc/24/92/17/387249217.db2.gz SCUZMVAQIQLDBY-FRRDWIJNSA-N 2 0 241.379 0.343 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[C@H](C)[NH3+] ZINC000230216538 387250025 /nfs/dbraw/zinc/25/00/25/387250025.db2.gz WAYFBENRTKQFMQ-GRYCIOLGSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H]1C[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[N@@H+]1C1CC1 ZINC000423425031 387251841 /nfs/dbraw/zinc/25/18/41/387251841.db2.gz GIMQLTKHBLGZIO-RPLXWKFWSA-N 2 0 221.348 0.419 20 0 BCADRP COCC[NH2+]CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000423345082 387195780 /nfs/dbraw/zinc/19/57/80/387195780.db2.gz XKYZMTFNAYMZSC-RYUDHWBXSA-N 2 0 229.368 0.330 20 0 BCADRP COCC[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000423374256 387196531 /nfs/dbraw/zinc/19/65/31/387196531.db2.gz JQXUMFAMCDVNGZ-FRRDWIJNSA-N 2 0 241.379 0.437 20 0 BCADRP CCN1C[C@H]([NH2+]CC2=CC[NH2+]CC2)[C@@H](C)C1 ZINC000423348623 387200642 /nfs/dbraw/zinc/20/06/42/387200642.db2.gz UOOWMPGTBVPLLV-AAEUAGOBSA-N 2 0 223.364 0.836 20 0 BCADRP C[NH2+]CCCC(=O)NCCC[NH2+]C1CC1 ZINC000514939843 387318978 /nfs/dbraw/zinc/31/89/78/387318978.db2.gz OGKPQHDGYINVMV-UHFFFAOYSA-N 2 0 213.325 0.244 20 0 BCADRP C[C@H](NCC(=O)NCC1CC1)[C@H]1CCCC[NH2+]1 ZINC000393062189 387313126 /nfs/dbraw/zinc/31/31/26/387313126.db2.gz QCGMTWPOLBSJJK-CMPLNLGQSA-N 2 0 239.363 0.633 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000372595157 387314677 /nfs/dbraw/zinc/31/46/77/387314677.db2.gz YFJKCUOUOHCYBA-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1(C)C ZINC000423429790 387255373 /nfs/dbraw/zinc/25/53/73/387255373.db2.gz KPIQPJYPBVLKLF-ROHXPCBUSA-N 2 0 224.348 0.997 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188185941 387256517 /nfs/dbraw/zinc/25/65/17/387256517.db2.gz WGVUUHQKFQPAIC-ZRUFSTJUSA-N 2 0 243.326 0.272 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000648119752 387257012 /nfs/dbraw/zinc/25/70/12/387257012.db2.gz ZLUVSJSMQNGEPO-JTQLQIEISA-N 2 0 227.352 0.762 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188186845 387257646 /nfs/dbraw/zinc/25/76/46/387257646.db2.gz PZAGXJSBVHYKOH-HBNTYKKESA-N 2 0 245.342 0.518 20 0 BCADRP CC(C)NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000161713822 387260795 /nfs/dbraw/zinc/26/07/95/387260795.db2.gz NYOYUROTDZAOJG-DCAQKATOSA-N 2 0 227.352 0.759 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000648119978 387262734 /nfs/dbraw/zinc/26/27/34/387262734.db2.gz HYPOGRBTDRMZEI-MXWKQRLJSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H](C[NH3+])N[C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000423381404 387263286 /nfs/dbraw/zinc/26/32/86/387263286.db2.gz ZQDQRAUDVJJEML-UWVGGRQHSA-N 2 0 246.318 0.660 20 0 BCADRP C[C@@]1(C(=O)N[C@H]2CCC[NH2+]CC2)CCC[NH2+]1 ZINC000648119997 387264254 /nfs/dbraw/zinc/26/42/54/387264254.db2.gz IWGJEKMQMBVOKW-JQWIXIFHSA-N 2 0 225.336 0.387 20 0 BCADRP C[NH+](C)CC1CCC(NC(=O)C2([NH3+])CC2)CC1 ZINC000353743137 387266834 /nfs/dbraw/zinc/26/68/34/387266834.db2.gz HELLTQDFXNGPOC-UHFFFAOYSA-N 2 0 239.363 0.714 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000645684961 387270220 /nfs/dbraw/zinc/27/02/20/387270220.db2.gz PARJQVVLACRSEW-DMDPSCGWSA-N 2 0 237.347 0.196 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000645684863 387270381 /nfs/dbraw/zinc/27/03/81/387270381.db2.gz JSOMRTBYEPSAAP-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+][C@H](C)CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000423387836 387271350 /nfs/dbraw/zinc/27/13/50/387271350.db2.gz KEWAWQUWCVOZFK-IRCOFANPSA-N 2 0 213.369 0.913 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000372099015 387273089 /nfs/dbraw/zinc/27/30/89/387273089.db2.gz PZTXZLKKSMIIAH-PWSUYJOCSA-N 2 0 243.326 0.241 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000372099013 387273387 /nfs/dbraw/zinc/27/33/87/387273387.db2.gz PZTXZLKKSMIIAH-CMPLNLGQSA-N 2 0 243.326 0.241 20 0 BCADRP C[C@@H]1C[C@H](N[C@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC000423388498 387273486 /nfs/dbraw/zinc/27/34/86/387273486.db2.gz UBJPURFSKPPYBO-KKOKHZNYSA-N 2 0 211.353 0.715 20 0 BCADRP O=C1NCC[C@@H]1[N@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@H]2C1 ZINC000372105927 387274027 /nfs/dbraw/zinc/27/40/27/387274027.db2.gz SOOHBGSOADGGQE-RVMXOQNASA-N 2 0 249.358 0.291 20 0 BCADRP CC/C=C/CNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000572227738 387280233 /nfs/dbraw/zinc/28/02/33/387280233.db2.gz VTPUVXPBJLNRRF-ZWNMCFTASA-N 2 0 240.351 0.237 20 0 BCADRP CC1([NH3+])CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000648120870 387281299 /nfs/dbraw/zinc/28/12/99/387281299.db2.gz ULLBBOBDZBRDAB-UHFFFAOYSA-N 2 0 239.363 0.988 20 0 BCADRP CC1([NH3+])CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000648120847 387281940 /nfs/dbraw/zinc/28/19/40/387281940.db2.gz SRUWWUSOJQDPAY-UHFFFAOYSA-N 2 0 225.336 0.598 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000336459602 387285455 /nfs/dbraw/zinc/28/54/55/387285455.db2.gz KRUSPFSVVXBICP-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000423438556 387287711 /nfs/dbraw/zinc/28/77/11/387287711.db2.gz VAUPXQNCFWQKOJ-RNJOBUHISA-N 2 0 242.363 0.362 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000514789790 387287825 /nfs/dbraw/zinc/28/78/25/387287825.db2.gz SLAVQAYVLWAXJM-VWYCJHECSA-N 2 0 227.352 0.556 20 0 BCADRP C[C@H]([NH3+])[C@H](C)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423438097 387288782 /nfs/dbraw/zinc/28/87/82/387288782.db2.gz GTKOIQLCEFAWHK-RCWTZXSCSA-N 2 0 211.353 0.937 20 0 BCADRP Cc1noc(CCC[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)n1 ZINC000514938588 387318184 /nfs/dbraw/zinc/31/81/84/387318184.db2.gz MRYRYAMYBPAGOU-MWLCHTKSSA-N 2 0 238.335 0.980 20 0 BCADRP COC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCC1 ZINC000423442730 387292756 /nfs/dbraw/zinc/29/27/56/387292756.db2.gz VHSBZKPDEIFMQY-XQHKEYJVSA-N 2 0 224.348 0.999 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000514797846 387295203 /nfs/dbraw/zinc/29/52/03/387295203.db2.gz FMLDNWSKRPQSGL-TXEJJXNPSA-N 2 0 237.347 0.481 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC1CC[NH2+]CC1 ZINC000191987250 387298605 /nfs/dbraw/zinc/29/86/05/387298605.db2.gz VCANKINASNDNAM-IUCAKERBSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000360496613 387298780 /nfs/dbraw/zinc/29/87/80/387298780.db2.gz UJINEAKXUKOVTB-JTQLQIEISA-N 2 0 239.363 0.857 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000372418794 387299329 /nfs/dbraw/zinc/29/93/29/387299329.db2.gz YNAMUCLKHMBLGM-SDDRHHMPSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000514865436 387302317 /nfs/dbraw/zinc/30/23/17/387302317.db2.gz UWKANUWXIDWLQF-UTUOFQBUSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH+](C)CCCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000372479732 387305742 /nfs/dbraw/zinc/30/57/42/387305742.db2.gz ADPMXVAMQOUCDJ-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000572287975 387308362 /nfs/dbraw/zinc/30/83/62/387308362.db2.gz ZRACBEAQAZIKLN-DMDPSCGWSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@H]1CCCC[NH2+]1 ZINC000643502088 387355885 /nfs/dbraw/zinc/35/58/85/387355885.db2.gz XFFOKQRVZSBIKP-IJLUTSLNSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)c1c[nH+]ccc1N(C)C ZINC000423527710 387356587 /nfs/dbraw/zinc/35/65/87/387356587.db2.gz MMCUZZHXBHCWNM-SECBINFHSA-N 2 0 236.319 0.615 20 0 BCADRP C[C@@H]1C[C@@H](NC[C@@H]2C[NH2+]CCO2)C[N@@H+]1C1CC1 ZINC000423532488 387359587 /nfs/dbraw/zinc/35/95/87/387359587.db2.gz ZQOVTZZZCJROAD-WZRBSPASSA-N 2 0 239.363 0.190 20 0 BCADRP C[C@H](C[C@@H]1COCC[NH2+]1)NC[C@@H]1CCCC[NH2+]1 ZINC000643502232 387364020 /nfs/dbraw/zinc/36/40/20/387364020.db2.gz AQBZTJKMRCHJHK-FRRDWIJNSA-N 2 0 241.379 0.485 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000373425830 387365898 /nfs/dbraw/zinc/36/58/98/387365898.db2.gz GRCBCWCEWMGEGW-NTZNESFSSA-N 2 0 237.347 0.196 20 0 BCADRP CCC[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+](C)C ZINC000423548279 387369788 /nfs/dbraw/zinc/36/97/88/387369788.db2.gz MKXHQXKGAVAWHX-IJLUTSLNSA-N 2 0 241.379 0.831 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000648123239 387378383 /nfs/dbraw/zinc/37/83/83/387378383.db2.gz PHOMTZUGCMITPZ-JOYOIKCWSA-N 2 0 246.314 0.318 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[NH2+][C@@H](C)C1)[C@H](C)[NH3+] ZINC000423604453 387384890 /nfs/dbraw/zinc/38/48/90/387384890.db2.gz FYKASYDBYVBKKS-DCAQKATOSA-N 2 0 227.352 0.426 20 0 BCADRP C[C@H](NC[C@H]1C[NH2+]CCO1)[C@H]1CCCC[NH2+]1 ZINC000423571216 387380268 /nfs/dbraw/zinc/38/02/68/387380268.db2.gz NGSPENQVFLFISB-QJPTWQEYSA-N 2 0 227.352 0.095 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000373529639 387380877 /nfs/dbraw/zinc/38/08/77/387380877.db2.gz NZYVDWRMIKWNPX-QWRGUYRKSA-N 2 0 225.336 0.468 20 0 BCADRP [NH3+]CCCCC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000393763236 259711822 /nfs/dbraw/zinc/71/18/22/259711822.db2.gz NVUAIXPABGLHDH-SNVBAGLBSA-N 2 0 213.325 0.374 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423589287 387382202 /nfs/dbraw/zinc/38/22/02/387382202.db2.gz HDQRYWGUCFOPTD-ONGXEEELSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423589285 387382385 /nfs/dbraw/zinc/38/23/85/387382385.db2.gz HDQRYWGUCFOPTD-GXSJLCMTSA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[C@@H](C)[NH3+] ZINC000423476834 387324306 /nfs/dbraw/zinc/32/43/06/387324306.db2.gz SPXDPXFYGQPSKU-USZNOCQGSA-N 2 0 241.379 0.802 20 0 BCADRP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000515054084 387327803 /nfs/dbraw/zinc/32/78/03/387327803.db2.gz AJFCHCFUFPRTFH-NEPJUHHUSA-N 2 0 239.363 0.634 20 0 BCADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000648121834 387341236 /nfs/dbraw/zinc/34/12/36/387341236.db2.gz IBFGRMWFBGSYAE-ZIQFBCGOSA-N 2 0 235.331 0.090 20 0 BCADRP Cn1nncc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000352581759 387342315 /nfs/dbraw/zinc/34/23/15/387342315.db2.gz YXNPQBFSMIYUKT-UHFFFAOYSA-N 2 0 237.351 0.778 20 0 BCADRP [NH3+]CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000515174115 387344144 /nfs/dbraw/zinc/34/41/44/387344144.db2.gz GJWYTAJGGHSNQD-UHFFFAOYSA-N 2 0 248.330 0.373 20 0 BCADRP C[C@@H](NC[C@H]1C[NH2+]CCN1C)[C@H]1CCCC[NH2+]1 ZINC000423507099 387344719 /nfs/dbraw/zinc/34/47/19/387344719.db2.gz HPJYHWYXOZNWIF-JHJVBQTASA-N 2 0 240.395 0.010 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000572361874 387345888 /nfs/dbraw/zinc/34/58/88/387345888.db2.gz FVIZYHDBQFVGQO-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[C@H](C(=O)NCC[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000423581279 387383807 /nfs/dbraw/zinc/38/38/07/387383807.db2.gz BUWXGGCFJXNBBL-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)(C)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000572378714 387352106 /nfs/dbraw/zinc/35/21/06/387352106.db2.gz PERKYIYQUCQUNR-WDEREUQCSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)(C)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572378712 387352459 /nfs/dbraw/zinc/35/24/59/387352459.db2.gz PERKYIYQUCQUNR-MNOVXSKESA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000423781346 387425477 /nfs/dbraw/zinc/42/54/77/387425477.db2.gz XIFPQXMMQIHWKF-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CC[C@@H](C)[NH3+] ZINC000423779063 387425850 /nfs/dbraw/zinc/42/58/50/387425850.db2.gz UMHGEYGTBPUVBB-VXGBXAGGSA-N 2 0 241.379 0.912 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]([NH3+])C(C)C ZINC000418399708 387429392 /nfs/dbraw/zinc/42/93/92/387429392.db2.gz GLKRLZXFOCMYFJ-QWRGUYRKSA-N 2 0 244.383 0.786 20 0 BCADRP C[NH2+][C@@H](C)Cc1noc(-c2coc(C[NH3+])c2)n1 ZINC000515843300 387433449 /nfs/dbraw/zinc/43/34/49/387433449.db2.gz ZAMSWHARCZDVIA-ZETCQYMHSA-N 2 0 236.275 0.939 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423844577 387435078 /nfs/dbraw/zinc/43/50/78/387435078.db2.gz JDQPQCHMQXOTHW-VHSXEESVSA-N 2 0 227.352 0.522 20 0 BCADRP C[NH2+]CCC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423847191 387435387 /nfs/dbraw/zinc/43/53/87/387435387.db2.gz MDBLMQYLCNABKN-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423855955 387436197 /nfs/dbraw/zinc/43/61/97/387436197.db2.gz XOYBYZBKMRYACT-JTQLQIEISA-N 2 0 213.325 0.276 20 0 BCADRP CC[N@H+](C)CCNC(=O)NCC[NH+](C)C1CC1 ZINC000352686463 387438386 /nfs/dbraw/zinc/43/83/86/387438386.db2.gz ZYILXLZHEGELSJ-UHFFFAOYSA-N 2 0 242.367 0.332 20 0 BCADRP CC[C@@H](CO)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084215776 387441497 /nfs/dbraw/zinc/44/14/97/387441497.db2.gz WNDHGJBZHXQZDZ-OUAUKWLOSA-N 2 0 200.326 0.864 20 0 BCADRP C[NH+](C)CC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000361401761 387454818 /nfs/dbraw/zinc/45/48/18/387454818.db2.gz ZWOMZZRWJVXAQX-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423954549 387458217 /nfs/dbraw/zinc/45/82/17/387458217.db2.gz KIJBKHLSMUAXRK-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423957784 387458270 /nfs/dbraw/zinc/45/82/70/387458270.db2.gz PUIYXGRFZOVWDT-SNVBAGLBSA-N 2 0 229.368 0.818 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[NH+](C)C ZINC000423971796 387459152 /nfs/dbraw/zinc/45/91/52/387459152.db2.gz HKBNZTWGCVWLFK-MXWKQRLJSA-N 2 0 227.352 0.378 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423963312 387459876 /nfs/dbraw/zinc/45/98/76/387459876.db2.gz PNRNDJDCUAZLMA-LBPRGKRZSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[C@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)[NH+](C)C ZINC000423611896 387388129 /nfs/dbraw/zinc/38/81/29/387388129.db2.gz ORZFXTZULBWUQB-YPMHNXCESA-N 2 0 241.379 0.914 20 0 BCADRP CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]C)[NH+](C)C ZINC000423625430 387388951 /nfs/dbraw/zinc/38/89/51/387388951.db2.gz FPWBQVCSXYTWIU-ZJUUUORDSA-N 2 0 215.341 0.441 20 0 BCADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000423628829 387389230 /nfs/dbraw/zinc/38/92/30/387389230.db2.gz AYZFNNYYPWQDLM-SNVBAGLBSA-N 2 0 235.331 0.998 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423660435 387391662 /nfs/dbraw/zinc/39/16/62/387391662.db2.gz AHPGIZPXTIIYIJ-GDGBQDQQSA-N 2 0 246.314 0.095 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423656641 387392630 /nfs/dbraw/zinc/39/26/30/387392630.db2.gz XICAELQFNMYBCA-SDDRHHMPSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000423721377 387403033 /nfs/dbraw/zinc/40/30/33/387403033.db2.gz BRKSNUSDJQNAEQ-TUAOUCFPSA-N 2 0 239.363 0.809 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000423740689 387404662 /nfs/dbraw/zinc/40/46/62/387404662.db2.gz JESZPWSFXPSACW-WOPDTQHZSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000423736555 387404727 /nfs/dbraw/zinc/40/47/27/387404727.db2.gz SNKZKCULCYNQCD-LLVKDONJSA-N 2 0 249.358 0.959 20 0 BCADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000361183228 387412324 /nfs/dbraw/zinc/41/23/24/387412324.db2.gz QIYXVQHCKDYKIW-JHJVBQTASA-N 2 0 243.395 0.635 20 0 BCADRP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000515649842 387413724 /nfs/dbraw/zinc/41/37/24/387413724.db2.gz BZXMEXFIXLDARR-RYUDHWBXSA-N 2 0 230.352 0.098 20 0 BCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000423771456 387420511 /nfs/dbraw/zinc/42/05/11/387420511.db2.gz INOYVBUXIONBEA-UTUOFQBUSA-N 2 0 241.379 0.768 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000040924905 387500548 /nfs/dbraw/zinc/50/05/48/387500548.db2.gz YQRJJVJXAYZDDE-SNVBAGLBSA-N 2 0 227.352 0.570 20 0 BCADRP CCCN(C(=O)CCCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000516463154 387512702 /nfs/dbraw/zinc/51/27/02/387512702.db2.gz SMTCCTGIOUINEO-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000516968554 387520517 /nfs/dbraw/zinc/52/05/17/387520517.db2.gz GOZWKXJPGGLJRW-AXFHLTTASA-N 2 0 242.367 0.411 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422020202 387539183 /nfs/dbraw/zinc/53/91/83/387539183.db2.gz LIJHXAJGACQTHU-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000122050038 387462835 /nfs/dbraw/zinc/46/28/35/387462835.db2.gz WYHQPIJZFQEASI-LLVKDONJSA-N 2 0 229.368 0.641 20 0 BCADRP CC(C)[C@H](C(=O)N(C)CC[NH3+])[NH+]1CCCCC1 ZINC000424002160 387463695 /nfs/dbraw/zinc/46/36/95/387463695.db2.gz IGGCOKXQLDHSMR-GFCCVEGCSA-N 2 0 241.379 0.914 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423997940 387463712 /nfs/dbraw/zinc/46/37/12/387463712.db2.gz MABJEPWHWUAXAH-NEPJUHHUSA-N 2 0 241.379 0.772 20 0 BCADRP CC[NH+](CC)CCSCC(=O)N(C)CC[NH3+] ZINC000424001805 387464306 /nfs/dbraw/zinc/46/43/06/387464306.db2.gz IBTCEHBGAFQAER-UHFFFAOYSA-N 2 0 247.408 0.479 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC000424019074 387466975 /nfs/dbraw/zinc/46/69/75/387466975.db2.gz KVJXHFPPBIDYEV-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CC(C)([NH3+])CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000374608399 387472155 /nfs/dbraw/zinc/47/21/55/387472155.db2.gz COFHSXYQJXCHAE-AXFHLTTASA-N 2 0 239.363 0.700 20 0 BCADRP [NH3+]CC1CCC([NH2+]CCNC2CC2)CC1 ZINC000643508236 387481707 /nfs/dbraw/zinc/48/17/07/387481707.db2.gz VVRISAKQUGZARR-UHFFFAOYSA-N 3 0 211.353 0.846 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424083328 387482162 /nfs/dbraw/zinc/48/21/62/387482162.db2.gz WZGWGMVDYXWGLZ-CKYFFXLPSA-N 2 0 227.352 0.761 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000424083441 387482226 /nfs/dbraw/zinc/48/22/26/387482226.db2.gz XCRQDLYEPBPCLJ-JBLDHEPKSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])C1CCCCC1 ZINC000424081260 387482687 /nfs/dbraw/zinc/48/26/87/387482687.db2.gz UYKJVIIVFBHKCB-OUAUKWLOSA-N 2 0 225.336 0.357 20 0 BCADRP C(C[NH2+]C1CC1)N[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000643508119 387483458 /nfs/dbraw/zinc/48/34/58/387483458.db2.gz MJDHTYUAOXWVHW-CHWSQXEVSA-N 2 0 239.363 0.095 20 0 BCADRP C(C[NH2+]C1CC1)N[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000643508122 387483783 /nfs/dbraw/zinc/48/37/83/387483783.db2.gz MJDHTYUAOXWVHW-STQMWFEESA-N 2 0 239.363 0.095 20 0 BCADRP C[C@@H](NCC[NH2+]C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000643508080 387484153 /nfs/dbraw/zinc/48/41/53/387484153.db2.gz HZFAWQSUUWJURF-PWSUYJOCSA-N 2 0 211.353 0.859 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000040831325 387583921 /nfs/dbraw/zinc/58/39/21/387583921.db2.gz XGRXEPLRDKFOKA-MNOVXSKESA-N 2 0 229.368 0.816 20 0 BCADRP CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426686566 387585908 /nfs/dbraw/zinc/58/59/08/387585908.db2.gz GAOZNKKHGVPZTD-LBPRGKRZSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000238032463 387592557 /nfs/dbraw/zinc/59/25/57/387592557.db2.gz NXOCPYMZDNRGKY-NWDGAFQWSA-N 2 0 239.363 0.701 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000422537907 387595770 /nfs/dbraw/zinc/59/57/70/387595770.db2.gz HPXQEDXGAIIBRP-JTQLQIEISA-N 2 0 227.352 0.762 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000422539432 387596344 /nfs/dbraw/zinc/59/63/44/387596344.db2.gz KJSGPXVSAJDQAL-ZJUUUORDSA-N 2 0 213.325 0.213 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000422539430 387596601 /nfs/dbraw/zinc/59/66/01/387596601.db2.gz KJSGPXVSAJDQAL-UWVGGRQHSA-N 2 0 213.325 0.213 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000422541425 387596777 /nfs/dbraw/zinc/59/67/77/387596777.db2.gz OFUHMAJZSURALS-QWRGUYRKSA-N 2 0 227.352 0.748 20 0 BCADRP C[NH2+]CC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422541076 387597234 /nfs/dbraw/zinc/59/72/34/387597234.db2.gz NIOAFTHCXGPQKH-UTLUCORTSA-N 2 0 213.325 0.038 20 0 BCADRP C[NH+](C)CC1CC[NH+](CCOCCO)CC1 ZINC000042396138 387628795 /nfs/dbraw/zinc/62/87/95/387628795.db2.gz IPRRSHAWZWFYSI-UHFFFAOYSA-N 2 0 230.352 0.269 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000162916854 387599080 /nfs/dbraw/zinc/59/90/80/387599080.db2.gz ZWWQBSLRWAYOBM-QWRGUYRKSA-N 2 0 227.352 0.762 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000583694912 387601505 /nfs/dbraw/zinc/60/15/05/387601505.db2.gz RSGSSOKJVFDHQJ-ZJUUUORDSA-N 2 0 215.341 0.617 20 0 BCADRP C1CC2(C1)[NH2+]CC[C@H]2N[C@H]1CCC[NH2+]C1 ZINC000527531461 387602286 /nfs/dbraw/zinc/60/22/86/387602286.db2.gz FGAOYRONLTWUMT-WDEREUQCSA-N 2 0 209.337 0.613 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)CC[NH3+] ZINC000422599962 387604498 /nfs/dbraw/zinc/60/44/98/387604498.db2.gz SFAOZTKUQQJEIV-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP C[NH2+]CCCNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422605589 387605481 /nfs/dbraw/zinc/60/54/81/387605481.db2.gz GITNZPJEXQEMGB-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NC(C)(C)CC[NH3+] ZINC000422605566 387605878 /nfs/dbraw/zinc/60/58/78/387605878.db2.gz GFYNOLJWMPCMGS-MRVPVSSYSA-N 2 0 216.329 0.150 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000041679547 387605999 /nfs/dbraw/zinc/60/59/99/387605999.db2.gz OBIXEQSEPNDCCZ-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NC(C)(C)CC[NH3+] ZINC000422605567 387606201 /nfs/dbraw/zinc/60/62/01/387606201.db2.gz GFYNOLJWMPCMGS-QMMMGPOBSA-N 2 0 216.329 0.150 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422614449 387606586 /nfs/dbraw/zinc/60/65/86/387606586.db2.gz YQVCKGUWZKYXKO-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)NCCC[NH2+]C1CC1 ZINC000422608975 387606760 /nfs/dbraw/zinc/60/67/60/387606760.db2.gz NMUKFCZDNXMGCA-UHFFFAOYSA-N 2 0 242.367 0.555 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422610833 387607538 /nfs/dbraw/zinc/60/75/38/387607538.db2.gz QWPONOHWQKLKKO-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP CC1(C)COCCN1CC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422716974 387629438 /nfs/dbraw/zinc/62/94/38/387629438.db2.gz VBEWELUKZXXHDK-VXGBXAGGSA-N 2 0 241.379 0.567 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000527533880 387624433 /nfs/dbraw/zinc/62/44/33/387624433.db2.gz WXMBMYCCBCYEIW-WOPDTQHZSA-N 2 0 223.364 0.859 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+]CCN1CCOCC1(C)C ZINC000422711893 387624939 /nfs/dbraw/zinc/62/49/39/387624939.db2.gz NMGSWYRJGVTHIZ-GFCCVEGCSA-N 2 0 243.395 0.814 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCN1CCOCC1(C)C ZINC000422712278 387624945 /nfs/dbraw/zinc/62/49/45/387624945.db2.gz NUMWMEXKYOPOJN-NEPJUHHUSA-N 2 0 243.395 0.813 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN1CCSCC1 ZINC000422712496 387626180 /nfs/dbraw/zinc/62/61/80/387626180.db2.gz OILJVMSZYZYFTK-QWRGUYRKSA-N 2 0 231.409 0.751 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@H](C)C[NH+](C)C ZINC000355741509 387574618 /nfs/dbraw/zinc/57/46/18/387574618.db2.gz MIOZFNSKQAPWRP-NSHDSACASA-N 2 0 229.368 0.642 20 0 BCADRP CN(CC(=O)N1CCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000355759770 387577608 /nfs/dbraw/zinc/57/76/08/387577608.db2.gz XFZCCXYKULJRFJ-GFCCVEGCSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@@H](C(=O)NC[C@H]1[NH2+]CCCC1(C)C)[C@H](C)[NH3+] ZINC000430616225 387633573 /nfs/dbraw/zinc/63/35/73/387633573.db2.gz FRLWRSKANHYFLR-OUAUKWLOSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430616222 387633732 /nfs/dbraw/zinc/63/37/32/387633732.db2.gz FRLWRSKANHYFLR-DCAQKATOSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CCC[NH2+]C1)[C@@H](C)[NH3+] ZINC000422725557 387635939 /nfs/dbraw/zinc/63/59/39/387635939.db2.gz BVEPDLDKKSXMDC-VWYCJHECSA-N 2 0 227.352 0.474 20 0 BCADRP CCCNC(=O)CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422728366 387638902 /nfs/dbraw/zinc/63/89/02/387638902.db2.gz FYRFVDFOVVCCTO-VXGBXAGGSA-N 2 0 241.379 0.880 20 0 BCADRP C[NH+](C)CC(=O)NCC1([NH3+])CCCCCC1 ZINC000422728445 387639036 /nfs/dbraw/zinc/63/90/36/387639036.db2.gz GKGXIEGDJQSARZ-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C1([NH3+])CCCC1)C1CC1 ZINC000430690573 387640518 /nfs/dbraw/zinc/64/05/18/387640518.db2.gz IKHARPVHOACPQD-LLVKDONJSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCCC1CC[NH+](CC)CC1 ZINC000430721983 387645248 /nfs/dbraw/zinc/64/52/48/387645248.db2.gz MBKXPMZCWBFQCQ-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000430749852 387647884 /nfs/dbraw/zinc/64/78/84/387647884.db2.gz XQBUVZPRLSIDPC-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H](C)N1CCOCC1 ZINC000422740079 387648616 /nfs/dbraw/zinc/64/86/16/387648616.db2.gz MGABPHVSKZUNGX-JHJVBQTASA-N 2 0 243.395 0.813 20 0 BCADRP NC(=O)C1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCCC1 ZINC000422740214 387648781 /nfs/dbraw/zinc/64/87/81/387648781.db2.gz BCFQGCDJZBLEHL-GHMZBOCLSA-N 2 0 239.363 0.749 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH2+]C)C[C@H]1C ZINC000430796235 387651526 /nfs/dbraw/zinc/65/15/26/387651526.db2.gz KBFMNTYSUZPYOJ-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP CCC[C@@H](C(=O)N[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000422746813 387651869 /nfs/dbraw/zinc/65/18/69/387651869.db2.gz OIVWZNUIRXRZAR-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP COCCC[N@H+](C)CCNC(=O)C(C)(C)C[NH3+] ZINC000430805947 387654627 /nfs/dbraw/zinc/65/46/27/387654627.db2.gz BAAOOTFCKXKJJS-UHFFFAOYSA-N 2 0 245.367 0.056 20 0 BCADRP CCC[C@@H](C(=O)NCC[NH2+]CC)[NH+](C)C ZINC000422788725 387656466 /nfs/dbraw/zinc/65/64/66/387656466.db2.gz RHCQPOAIEBVQHY-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C[NH3+] ZINC000430891297 387657801 /nfs/dbraw/zinc/65/78/01/387657801.db2.gz YPHQHRORWWOOHB-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430899995 387659018 /nfs/dbraw/zinc/65/90/18/387659018.db2.gz OCAGDRRPDXBYEN-MNOVXSKESA-N 2 0 225.336 0.419 20 0 BCADRP C[C@@H]([NH2+]CCCN1CCCC1=O)[C@@H]1CCC[NH2+]1 ZINC000422755826 387659252 /nfs/dbraw/zinc/65/92/52/387659252.db2.gz BPZCWXRMODHKHK-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)C(=O)NCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422761698 387663175 /nfs/dbraw/zinc/66/31/75/387663175.db2.gz RMDAKBBSBGKIKI-VXGBXAGGSA-N 2 0 241.379 0.736 20 0 BCADRP CC(C)[C@H](O)CC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422776546 387674681 /nfs/dbraw/zinc/67/46/81/387674681.db2.gz CWEZACPAHWDGFH-GARJFASQSA-N 2 0 200.326 0.863 20 0 BCADRP CC[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000422781372 387680991 /nfs/dbraw/zinc/68/09/91/387680991.db2.gz IRYBHBGJUQTBEQ-UHFFFAOYSA-N 2 0 232.287 0.674 20 0 BCADRP c1cn(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)nn1 ZINC000126522816 387685954 /nfs/dbraw/zinc/68/59/54/387685954.db2.gz KNMWYYHRIHHEKP-QWHCGFSZSA-N 2 0 249.362 0.885 20 0 BCADRP C[NH+](C)CCCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422743140 387690385 /nfs/dbraw/zinc/69/03/85/387690385.db2.gz HZRHXBWSIYJMEF-OLZOCXBDSA-N 2 0 241.379 0.295 20 0 BCADRP COCCC[N@H+](C)CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422791417 387692553 /nfs/dbraw/zinc/69/25/53/387692553.db2.gz YJBUOAXNECYGDC-RYUDHWBXSA-N 2 0 231.384 0.670 20 0 BCADRP CC[NH+](CC)CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422744804 387692918 /nfs/dbraw/zinc/69/29/18/387692918.db2.gz KVRGBBLGFMLRSB-VXGBXAGGSA-N 2 0 213.369 0.916 20 0 BCADRP CC[NH+](CC)CCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422744803 387693701 /nfs/dbraw/zinc/69/37/01/387693701.db2.gz KVRGBBLGFMLRSB-RYUDHWBXSA-N 2 0 213.369 0.916 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000422860173 387745010 /nfs/dbraw/zinc/74/50/10/387745010.db2.gz LVYJJORGEBHQKS-NSHDSACASA-N 2 0 248.330 0.615 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000377810642 387748576 /nfs/dbraw/zinc/74/85/76/387748576.db2.gz CPXXBLVDOCFUPG-DCAQKATOSA-N 2 0 225.336 0.038 20 0 BCADRP CC[N@H+](CCN[C@@H]1CCC[C@@H]1[NH3+])C1CC1 ZINC000422875911 387753421 /nfs/dbraw/zinc/75/34/21/387753421.db2.gz DKYISKXJWZSAJT-NWDGAFQWSA-N 2 0 211.353 0.940 20 0 BCADRP COC[C@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000127049468 387703522 /nfs/dbraw/zinc/70/35/22/387703522.db2.gz AIFNCMFVXQTUJQ-VXGBXAGGSA-N 2 0 230.352 0.267 20 0 BCADRP C[C@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000377346117 387710256 /nfs/dbraw/zinc/71/02/56/387710256.db2.gz ONHCLKRDISVZSR-BXKDBHETSA-N 2 0 243.326 0.287 20 0 BCADRP CC(=O)NCCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377390499 387714012 /nfs/dbraw/zinc/71/40/12/387714012.db2.gz JVSMREPSQNGFOH-ZDUSSCGKSA-N 2 0 241.379 0.929 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000629614214 387716607 /nfs/dbraw/zinc/71/66/07/387716607.db2.gz IDLOYQMCPHTULZ-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP CC[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC000356784140 387718864 /nfs/dbraw/zinc/71/88/64/387718864.db2.gz MCFOXHRQKNMGNC-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP C[C@@H](N[C@@H]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000643522746 387721157 /nfs/dbraw/zinc/72/11/57/387721157.db2.gz BYUAIRTXCAABAM-IJLUTSLNSA-N 2 0 211.353 0.859 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)CC1(C[NH3+])CC1 ZINC000422831238 387721953 /nfs/dbraw/zinc/72/19/53/387721953.db2.gz JKSVAFQPXGCVHK-JTQLQIEISA-N 2 0 227.352 0.605 20 0 BCADRP O=C(C1C[NH2+]C1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000367811729 387755638 /nfs/dbraw/zinc/75/56/38/387755638.db2.gz VJVQCEKBSSDBPS-YNEHKIRRSA-N 2 0 249.358 0.149 20 0 BCADRP CCC[C@H](C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)[NH+](C)C ZINC000422843122 387731611 /nfs/dbraw/zinc/73/16/11/387731611.db2.gz HCNMOAPVLULSNA-QJPTWQEYSA-N 2 0 241.379 0.912 20 0 BCADRP COCC[N@H+](C)CCCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422840733 387731780 /nfs/dbraw/zinc/73/17/80/387731780.db2.gz CAFYVSAESPHKPC-NEPJUHHUSA-N 2 0 231.384 0.670 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C12CCC[NH+]1CCC2 ZINC000422847679 387735251 /nfs/dbraw/zinc/73/52/51/387735251.db2.gz IRXVWVSFNJRQMD-LLVKDONJSA-N 2 0 239.363 0.714 20 0 BCADRP COCC[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422890339 387763815 /nfs/dbraw/zinc/76/38/15/387763815.db2.gz RSRNZORJSDVXEV-FRRDWIJNSA-N 2 0 241.379 0.295 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000129284113 387765704 /nfs/dbraw/zinc/76/57/04/387765704.db2.gz YTBJIQMEKJBCIB-GMTAPVOTSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)CCN1CCOCC1 ZINC000422913159 387771424 /nfs/dbraw/zinc/77/14/24/387771424.db2.gz PCXIFBUIEQZHTO-AVGNSLFASA-N 2 0 243.395 0.813 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000441621887 387773025 /nfs/dbraw/zinc/77/30/25/387773025.db2.gz PLWFFDPDUCOWKE-JQWIXIFHSA-N 2 0 235.331 0.440 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H](C)C[NH3+])[NH+](CC)CC ZINC000441628514 387773039 /nfs/dbraw/zinc/77/30/39/387773039.db2.gz RCEYBPQYVINNBZ-QWRGUYRKSA-N 2 0 229.368 0.818 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCN[C@H](C)C1C[NH2+]C1 ZINC000422901816 387787595 /nfs/dbraw/zinc/78/75/95/387787595.db2.gz CLDNGECAJUVUDL-GHMZBOCLSA-N 2 0 213.369 0.914 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000157355222 387788755 /nfs/dbraw/zinc/78/87/55/387788755.db2.gz AHLIZCMHGWHKRJ-BBBLOLIVSA-N 2 0 213.325 0.132 20 0 BCADRP CCCN(CC[NH+](CC)CC)C(=O)NCC[NH3+] ZINC000418302351 387804228 /nfs/dbraw/zinc/80/42/28/387804228.db2.gz LZEQHTCROGHUAR-UHFFFAOYSA-N 2 0 244.383 0.709 20 0 BCADRP CC[C@@H]1CN(C[C@H](C)[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000442654292 387808297 /nfs/dbraw/zinc/80/82/97/387808297.db2.gz AYDFZLNEGSLGPZ-QJPTWQEYSA-N 2 0 229.368 0.111 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442616243 387808491 /nfs/dbraw/zinc/80/84/91/387808491.db2.gz AUVFBAKZIGLTLJ-QJPTWQEYSA-N 2 0 241.379 0.947 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H]1C ZINC000424144275 387759376 /nfs/dbraw/zinc/75/93/76/387759376.db2.gz KYYKAPCSAGVKNZ-KXNHARMFSA-N 2 0 239.363 0.665 20 0 BCADRP [NH3+]CC1(CC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000564075797 387820737 /nfs/dbraw/zinc/82/07/37/387820737.db2.gz TUPZCIFNPJBRHG-GHMZBOCLSA-N 2 0 239.363 0.749 20 0 BCADRP C[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000422971117 387821683 /nfs/dbraw/zinc/82/16/83/387821683.db2.gz HXHAOVWFPPWLGW-RWMBFGLXSA-N 2 0 241.379 0.173 20 0 BCADRP CC[N@H+](CC(=O)NCC[NH+]1CCCC1)C1CC1 ZINC000442709950 387827479 /nfs/dbraw/zinc/82/74/79/387827479.db2.gz PFOJEVSCJHEFOB-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP Cn1cc(C[NH2+]CC2CC[NH+](C)CC2)nn1 ZINC000054861020 387829975 /nfs/dbraw/zinc/82/99/75/387829975.db2.gz GIFKLTHPHOIDOG-UHFFFAOYSA-N 2 0 223.324 0.247 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000423008752 387831395 /nfs/dbraw/zinc/83/13/95/387831395.db2.gz UMZKTGMIJSGXFM-SDDRHHMPSA-N 2 0 244.404 0.962 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1COC1 ZINC000528026862 387831704 /nfs/dbraw/zinc/83/17/04/387831704.db2.gz REUAJOCJXHCRLE-FOGDFJRCSA-N 2 0 212.337 0.951 20 0 BCADRP CC(C)C[C@@H]([NH3+])c1noc(COC2C[NH2+]C2)n1 ZINC000442743072 387832228 /nfs/dbraw/zinc/83/22/28/387832228.db2.gz DTFQVEBTUHFFPC-SECBINFHSA-N 2 0 240.307 0.604 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000309598194 387832540 /nfs/dbraw/zinc/83/25/40/387832540.db2.gz JEOQSGNJTMZICW-LLVKDONJSA-N 3 0 215.341 0.023 20 0 BCADRP [NH3+]C1(c2noc(COC3C[NH2+]C3)n2)CCCC1 ZINC000442751180 387835578 /nfs/dbraw/zinc/83/55/78/387835578.db2.gz HQZANSJKFFOBAM-UHFFFAOYSA-N 2 0 238.291 0.286 20 0 BCADRP C[C@H]1C[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C[N@@H+]1C1CC1 ZINC000643537565 387873496 /nfs/dbraw/zinc/87/34/96/387873496.db2.gz LTQMSUYWXIRTEM-FIQHERPVSA-N 2 0 241.354 0.901 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000424160552 387838978 /nfs/dbraw/zinc/83/89/78/387838978.db2.gz XDRASCIILMKKCD-DVVUODLYSA-N 2 0 246.314 0.183 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424160763 387839636 /nfs/dbraw/zinc/83/96/36/387839636.db2.gz UPAJEBBNTMWIGX-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)C(=O)NCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423017829 387840852 /nfs/dbraw/zinc/84/08/52/387840852.db2.gz XFFMZDHTNSSKON-NWDGAFQWSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[NH+]1CCC(C)CC1 ZINC000424163095 387847011 /nfs/dbraw/zinc/84/70/11/387847011.db2.gz XIZYNBDGCQKHGR-UTUOFQBUSA-N 2 0 239.363 0.570 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423037858 387851281 /nfs/dbraw/zinc/85/12/81/387851281.db2.gz NHUGMRWGJNZHHR-GFCCVEGCSA-N 3 0 243.395 0.542 20 0 BCADRP CSCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193653577 387858735 /nfs/dbraw/zinc/85/87/35/387858735.db2.gz LIKBAHBAIWXJRV-AOOOYVTPSA-N 2 0 200.351 0.843 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000433115783 387863768 /nfs/dbraw/zinc/86/37/68/387863768.db2.gz JGNNXUUGERUVRN-WOPDTQHZSA-N 2 0 241.379 0.851 20 0 BCADRP CC[C@@H](CO)[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423058338 387864791 /nfs/dbraw/zinc/86/47/91/387864791.db2.gz JKQNAEWUIIHKES-GARJFASQSA-N 2 0 200.326 0.735 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536229 387867184 /nfs/dbraw/zinc/86/71/84/387867184.db2.gz OVTRGLBLWWYHFQ-GRYCIOLGSA-N 2 0 223.364 0.716 20 0 BCADRP C[C@H](N[C@H]1CC12CC[NH2+]CC2)[C@H]1CCC[NH2+]1 ZINC000643536240 387867682 /nfs/dbraw/zinc/86/76/82/387867682.db2.gz OZYMGANMVXZUOY-TUAOUCFPSA-N 2 0 223.364 0.859 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C[NH3+])C(C)C ZINC000433129765 387867836 /nfs/dbraw/zinc/86/78/36/387867836.db2.gz FITFTBDQFNLSAU-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H](N[C@H]1CC12CC[NH2+]CC2)[C@H]1CCC[NH2+]1 ZINC000643536241 387868049 /nfs/dbraw/zinc/86/80/49/387868049.db2.gz OZYMGANMVXZUOY-UTUOFQBUSA-N 2 0 223.364 0.859 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423065172 387868068 /nfs/dbraw/zinc/86/80/68/387868068.db2.gz AXEZJJDORZBODG-CHWSQXEVSA-N 3 0 243.395 0.814 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000433131745 387869629 /nfs/dbraw/zinc/86/96/29/387869629.db2.gz KZOXZFKKZQZPLM-DGCLKSJQSA-N 2 0 241.379 0.723 20 0 BCADRP CC[NH+](CC)CCO[C@H]1CCN(C[C@@H](C)[NH3+])C1 ZINC000442665487 387816515 /nfs/dbraw/zinc/81/65/15/387816515.db2.gz MNUBSBOCUCZYII-OLZOCXBDSA-N 2 0 243.395 0.766 20 0 BCADRP CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H](C)[NH3+])C1 ZINC000442665486 387817136 /nfs/dbraw/zinc/81/71/36/387817136.db2.gz MNUBSBOCUCZYII-CHWSQXEVSA-N 2 0 243.395 0.766 20 0 BCADRP C[C@H]([NH3+])CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000442663117 387817776 /nfs/dbraw/zinc/81/77/76/387817776.db2.gz ITQQFTVZIFIBIB-LBPRGKRZSA-N 2 0 241.379 0.378 20 0 BCADRP C[C@@H]([NH3+])CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000442663115 387817942 /nfs/dbraw/zinc/81/79/42/387817942.db2.gz ITQQFTVZIFIBIB-GFCCVEGCSA-N 2 0 241.379 0.378 20 0 BCADRP Cc1nc(C[C@@H]2CCCN(C[C@@H](C)[NH3+])C2)no1 ZINC000442665762 387819440 /nfs/dbraw/zinc/81/94/40/387819440.db2.gz NUTDYJAYRGZJMY-KOLCDFICSA-N 2 0 238.335 0.980 20 0 BCADRP C[C@H](O)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422968758 387819696 /nfs/dbraw/zinc/81/96/96/387819696.db2.gz XNCIJNSMXMPAOG-GMXVVIOVSA-N 2 0 222.332 0.915 20 0 BCADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423113619 387896158 /nfs/dbraw/zinc/89/61/58/387896158.db2.gz URDDIACRLQAHNO-GARJFASQSA-N 2 0 200.326 0.720 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645775496 387897548 /nfs/dbraw/zinc/89/75/48/387897548.db2.gz YCMLEWHSBWOBCY-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537239 387875030 /nfs/dbraw/zinc/87/50/30/387875030.db2.gz BOHUJULCLFQLRP-ZPFDUUQYSA-N 2 0 241.354 0.759 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538390 387876436 /nfs/dbraw/zinc/87/64/36/387876436.db2.gz JDQMZCODOILRNF-BJDJZHNGSA-N 2 0 229.343 0.664 20 0 BCADRP C[C@H](NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000643538249 387877365 /nfs/dbraw/zinc/87/73/65/387877365.db2.gz CIKDSYBYQAVNON-FIQHERPVSA-N 2 0 229.343 0.807 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538660 387877571 /nfs/dbraw/zinc/87/75/71/387877571.db2.gz QYBPMWUVBVQBAT-YFKTTZPYSA-N 2 0 229.343 0.936 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCNCC1(F)F ZINC000424175109 387878350 /nfs/dbraw/zinc/87/83/50/387878350.db2.gz NFCAADVXTULSNW-DTWKUNHWSA-N 2 0 249.305 0.475 20 0 BCADRP CCOC1CC(O)(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423086140 387880770 /nfs/dbraw/zinc/88/07/70/387880770.db2.gz LJYUMCJDKAOAAI-CQLXCSJHSA-N 2 0 242.363 0.633 20 0 BCADRP CCOC1CC(O)(C[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000423086143 387880798 /nfs/dbraw/zinc/88/07/98/387880798.db2.gz LJYUMCJDKAOAAI-QCXCNERSSA-N 2 0 242.363 0.633 20 0 BCADRP CC(C)[C@@H](CO)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423101062 387886509 /nfs/dbraw/zinc/88/65/09/387886509.db2.gz CIAOOZOTUGTPOR-TUAOUCFPSA-N 2 0 214.353 0.981 20 0 BCADRP CC(C)(CO)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000168644685 387887070 /nfs/dbraw/zinc/88/70/70/387887070.db2.gz QTVPRXFLYMTSLY-NSHDSACASA-N 2 0 230.352 0.051 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000236648322 387900333 /nfs/dbraw/zinc/90/03/33/387900333.db2.gz HTDLMFBHSQZXGD-MNOVXSKESA-N 2 0 227.352 0.535 20 0 BCADRP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nc1 ZINC000077403794 387907677 /nfs/dbraw/zinc/90/76/77/387907677.db2.gz GCNVGYZWPAXRAC-AWEZNQCLSA-N 2 0 246.358 0.561 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000423131532 387908849 /nfs/dbraw/zinc/90/88/49/387908849.db2.gz OBONBMMTLOZYBT-QNWHQSFQSA-N 2 0 242.363 0.633 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195231381 387911972 /nfs/dbraw/zinc/91/19/72/387911972.db2.gz WKLVPPFEEACCCR-AXFHLTTASA-N 2 0 225.336 0.038 20 0 BCADRP C[C@]1(CNC(=O)N[C@@H]2CC[NH2+]C2)CCC[NH2+]C1 ZINC000418346775 387917298 /nfs/dbraw/zinc/91/72/98/387917298.db2.gz CTDPZLKURYEAOM-PWSUYJOCSA-N 2 0 240.351 0.037 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000237919984 387929767 /nfs/dbraw/zinc/92/97/67/387929767.db2.gz BKKKNYXCHIHRCB-GFCCVEGCSA-N 2 0 233.315 0.627 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H]2CC[NH2+]C2)CCCCCC1 ZINC000237832519 387929945 /nfs/dbraw/zinc/92/99/45/387929945.db2.gz XZEYIHSXTSJVAH-LLVKDONJSA-N 2 0 239.363 0.764 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCSC2)CC[N@@H+]1C ZINC000158142328 387930303 /nfs/dbraw/zinc/93/03/03/387930303.db2.gz HCVRNASDLQRFFZ-IJLUTSLNSA-N 2 0 244.404 0.927 20 0 BCADRP Nc1ccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000237988747 387930719 /nfs/dbraw/zinc/93/07/19/387930719.db2.gz BAOGVVWKVGNHGW-JTQLQIEISA-N 2 0 246.314 0.992 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000238032279 387931160 /nfs/dbraw/zinc/93/11/60/387931160.db2.gz YMSKLFWKXVIIKY-CYBMUJFWSA-N 2 0 247.342 0.884 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423147595 387924678 /nfs/dbraw/zinc/92/46/78/387924678.db2.gz DAVDOMCELHXEIT-ZDEQEGDKSA-N 2 0 241.379 0.565 20 0 BCADRP C[C@](C[NH3+])(NC(=O)CC1CC[NH2+]CC1)C1CC1 ZINC000237583690 387926698 /nfs/dbraw/zinc/92/66/98/387926698.db2.gz YZMLJDARXNNNIY-CYBMUJFWSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H]1CC2(C[N@@H+]1CCn1cncn1)CC[NH2+]CC2 ZINC000424286117 387952337 /nfs/dbraw/zinc/95/23/37/387952337.db2.gz GZCUPJOECBNICQ-LBPRGKRZSA-N 2 0 249.362 0.742 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423162455 387942760 /nfs/dbraw/zinc/94/27/60/387942760.db2.gz PGSNSXXNNVOSCZ-YNEHKIRRSA-N 2 0 244.379 0.881 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424248482 387944594 /nfs/dbraw/zinc/94/45/94/387944594.db2.gz UVFJTWULISQOIA-LMLFDSFASA-N 2 0 225.336 0.500 20 0 BCADRP CCOC(=O)CC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424299764 387960163 /nfs/dbraw/zinc/96/01/63/387960163.db2.gz VRIJTPRJXUADHX-NXEZZACHSA-N 2 0 214.309 0.799 20 0 BCADRP Cn1cc(CC[NH2+][C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC000424301552 387962721 /nfs/dbraw/zinc/96/27/21/387962721.db2.gz XPJAWASVCJGEOK-VXGBXAGGSA-N 2 0 222.336 0.822 20 0 BCADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCC[NH2+]C ZINC000423184010 387969109 /nfs/dbraw/zinc/96/91/09/387969109.db2.gz HFGJNFNMBZMTLV-LLVKDONJSA-N 2 0 229.368 0.833 20 0 BCADRP CC[N@@H+]1C[C@@H](C)[C@H](NC2CC[NH2+]CC2)C1 ZINC000423185898 387970165 /nfs/dbraw/zinc/97/01/65/387970165.db2.gz NUUPLMWZJGSOAO-ZYHUDNBSSA-N 2 0 211.353 0.668 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COC)[C@@H](C)C1 ZINC000245545402 387957336 /nfs/dbraw/zinc/95/73/36/387957336.db2.gz UFJRPAWHTQKHSN-XQQFMLRXSA-N 2 0 244.379 0.656 20 0 BCADRP C[C@H](N[C@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423196664 387981176 /nfs/dbraw/zinc/98/11/76/387981176.db2.gz VVMIDILZHOLHJZ-SDDRHHMPSA-N 2 0 211.353 0.859 20 0 BCADRP CNC(=O)[C@@H](C)C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245695533 387973658 /nfs/dbraw/zinc/97/36/58/387973658.db2.gz QTDUDCQSQJPJMQ-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP C[N@@H+]1CC[C@H](NCCC[NH3+])[C@H]2CCC[C@@H]21 ZINC000423189181 387973951 /nfs/dbraw/zinc/97/39/51/387973951.db2.gz MRTYEZGPNSJSJA-WOPDTQHZSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000423203884 387989533 /nfs/dbraw/zinc/98/95/33/387989533.db2.gz AKGZWHBZUBLEMQ-YUTCNCBUSA-N 2 0 233.359 0.896 20 0 BCADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000423203881 387989567 /nfs/dbraw/zinc/98/95/67/387989567.db2.gz AKGZWHBZUBLEMQ-FPMFFAJLSA-N 2 0 233.359 0.896 20 0 BCADRP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)[C@H]1C[C@H]1C ZINC000423207422 387991385 /nfs/dbraw/zinc/99/13/85/387991385.db2.gz RLVOBHHSKYWJEK-AGIUHOORSA-N 2 0 225.380 0.916 20 0 BCADRP CC[C@H](NCCN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423209626 387993237 /nfs/dbraw/zinc/99/32/37/387993237.db2.gz VISXOPJLMREYSJ-STQMWFEESA-N 2 0 240.395 0.012 20 0 BCADRP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2C[C@@H]2[NH3+])n1 ZINC000424342348 387982990 /nfs/dbraw/zinc/98/29/90/387982990.db2.gz XTCIMJWBQBPPRK-GJMOJQLCSA-N 2 0 210.281 0.930 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424370988 387996997 /nfs/dbraw/zinc/99/69/97/387996997.db2.gz FLPMIKUPOMHMRF-QCNOEVLYSA-N 2 0 211.353 0.796 20 0 BCADRP C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CCC[NH2+]1 ZINC000424373261 387997024 /nfs/dbraw/zinc/99/70/24/387997024.db2.gz JGUQTMLMNJLIOI-WISYIIOYSA-N 2 0 211.353 0.986 20 0 BCADRP COc1ccnc(C[NH2+][C@H](C)CCC[NH3+])n1 ZINC000424374960 387998754 /nfs/dbraw/zinc/99/87/54/387998754.db2.gz JQLVBVWDGVNRKP-SECBINFHSA-N 2 0 224.308 0.702 20 0 BCADRP COc1ccnc(C[NH2+][C@@H](C)CCC[NH3+])n1 ZINC000424374962 387999540 /nfs/dbraw/zinc/99/95/40/387999540.db2.gz JQLVBVWDGVNRKP-VIFPVBQESA-N 2 0 224.308 0.702 20 0 BCADRP C[C@H]([NH3+])CCN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423222218 388002597 /nfs/dbraw/zinc/00/25/97/388002597.db2.gz AGGZSVGZUHACJC-AXFHLTTASA-N 2 0 211.353 0.939 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446262304 388010074 /nfs/dbraw/zinc/01/00/74/388010074.db2.gz KWNQBFIIPHERSF-VHSXEESVSA-N 2 0 231.315 0.144 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CC[NH2+]C1 ZINC000446285825 388010897 /nfs/dbraw/zinc/01/08/97/388010897.db2.gz YICSXTPPLUNQRY-SDDRHHMPSA-N 2 0 237.347 0.339 20 0 BCADRP CC[C@H](Cn1cncn1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424371797 387996719 /nfs/dbraw/zinc/99/67/19/387996719.db2.gz GPXPLPVOXKYQPD-IJLUTSLNSA-N 2 0 237.351 0.916 20 0 BCADRP C[NH2+]CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423239976 388025079 /nfs/dbraw/zinc/02/50/79/388025079.db2.gz GMIINQTZOMWZKL-NWDGAFQWSA-N 2 0 205.305 0.940 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000446413066 388019739 /nfs/dbraw/zinc/01/97/39/388019739.db2.gz MRLZHHZKDHACDP-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000446413065 388019936 /nfs/dbraw/zinc/01/99/36/388019936.db2.gz MRLZHHZKDHACDP-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423248756 388032055 /nfs/dbraw/zinc/03/20/55/388032055.db2.gz NSOBSFVEBKUXGH-GRYCIOLGSA-N 3 0 211.353 0.716 20 0 BCADRP Cn1nncc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446884760 388044425 /nfs/dbraw/zinc/04/44/25/388044425.db2.gz RECFXECAVIRGJP-UHFFFAOYSA-N 2 0 249.362 0.779 20 0 BCADRP CC1(C)C(=O)NCC[N@H+]1CC1CC[NH2+]CC1 ZINC000082475443 388035704 /nfs/dbraw/zinc/03/57/04/388035704.db2.gz RLAIVXCGNKAMGY-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP OC1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1ccnc1 ZINC000082598272 388037436 /nfs/dbraw/zinc/03/74/36/388037436.db2.gz QWEJMGPSKDWYQX-FOSCPWQOSA-N 2 0 221.304 0.871 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424482814 388040477 /nfs/dbraw/zinc/04/04/77/388040477.db2.gz VFEQXGQVJJEVQD-GHMZBOCLSA-N 2 0 242.367 0.555 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000082737772 388040775 /nfs/dbraw/zinc/04/07/75/388040775.db2.gz GQLOHTCZISBKHY-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]C[C@@H](C)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423274574 388054588 /nfs/dbraw/zinc/05/45/88/388054588.db2.gz MBOQGGIPACBTMR-WOPDTQHZSA-N 2 0 213.369 0.962 20 0 BCADRP C[NH2+]C[C@H](C)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423274572 388054705 /nfs/dbraw/zinc/05/47/05/388054705.db2.gz MBOQGGIPACBTMR-TUAOUCFPSA-N 2 0 213.369 0.962 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423278843 388059801 /nfs/dbraw/zinc/05/98/01/388059801.db2.gz RRQBHCOQUPXPJF-SDDRHHMPSA-N 3 0 213.369 0.949 20 0 BCADRP CC[C@H](NC[C@@H](C)C[NH2+]C)[C@@H]1CCC[NH2+]1 ZINC000423278757 388060539 /nfs/dbraw/zinc/06/05/39/388060539.db2.gz RLCMUBOLRJWQDL-SRVKXCTJSA-N 2 0 213.369 0.962 20 0 BCADRP C[NH2+]CC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000083907649 388064698 /nfs/dbraw/zinc/06/46/98/388064698.db2.gz WPHWLNWGUIJOEL-UHFFFAOYSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)[NH3+])CC1 ZINC000083889459 388065655 /nfs/dbraw/zinc/06/56/55/388065655.db2.gz PFQDAVZBYXCPCT-SNVBAGLBSA-N 2 0 227.352 0.570 20 0 BCADRP CC[N@H+]1C[C@H](N[C@H](C[NH3+])C2CC2)[C@@H](C)C1 ZINC000423284886 388070006 /nfs/dbraw/zinc/07/00/06/388070006.db2.gz XIVUBDKXMLUFGW-WCQGTBRESA-N 2 0 211.353 0.654 20 0 BCADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423293840 388076108 /nfs/dbraw/zinc/07/61/08/388076108.db2.gz AVWZBVQWWSKIQY-QWRGUYRKSA-N 2 0 229.368 0.818 20 0 BCADRP C[C@H]([NH2+]CCOCC[NH+](C)C)C1CCOCC1 ZINC000447602347 388081433 /nfs/dbraw/zinc/08/14/33/388081433.db2.gz UJRWDAUGPJVBOE-LBPRGKRZSA-N 2 0 244.379 0.969 20 0 BCADRP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000447598157 388081916 /nfs/dbraw/zinc/08/19/16/388081916.db2.gz UOKLKBSLBKFDRW-QWHCGFSZSA-N 2 0 244.379 0.969 20 0 BCADRP CNC(=O)CC[N@H+](C)CCC1CC[NH2+]CC1 ZINC000085438622 388087934 /nfs/dbraw/zinc/08/79/34/388087934.db2.gz YGQPOPDSXZAJTK-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447914267 388102693 /nfs/dbraw/zinc/10/26/93/388102693.db2.gz OSFHEUMKXGXGKL-FRRDWIJNSA-N 2 0 242.363 0.600 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)[C@@H]([NH3+])COC ZINC000083374522 388048913 /nfs/dbraw/zinc/04/89/13/388048913.db2.gz BIDQFEMTDCJGGO-NSHDSACASA-N 2 0 245.367 0.198 20 0 BCADRP C[C@@H]1CSC[C@H]1[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000449242265 388161216 /nfs/dbraw/zinc/16/12/16/388161216.db2.gz DZLBVCGJRXAJSM-MXWKQRLJSA-N 2 0 230.377 0.394 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000646197032 388162581 /nfs/dbraw/zinc/16/25/81/388162581.db2.gz GBEZTVFQSBVEJP-GHMZBOCLSA-N 2 0 244.383 0.800 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC[NH2+]C1CC1 ZINC000646196695 388162818 /nfs/dbraw/zinc/16/28/18/388162818.db2.gz REOIEXZVYRKJBA-RKDXNWHRSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000646204810 388163603 /nfs/dbraw/zinc/16/36/03/388163603.db2.gz JODOKAATELKTKL-MMWGEVLESA-N 2 0 242.367 0.681 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC(C)([NH3+])CC1 ZINC000646216811 388167340 /nfs/dbraw/zinc/16/73/40/388167340.db2.gz YGCCBCZXJILEDX-UWVGGRQHSA-N 2 0 242.367 0.635 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC(C)(C)[NH+](C)C ZINC000449310161 388170512 /nfs/dbraw/zinc/17/05/12/388170512.db2.gz FAXYRWDXZRNHBO-JTQLQIEISA-N 2 0 229.368 0.831 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](C)C[NH3+] ZINC000449359268 388181654 /nfs/dbraw/zinc/18/16/54/388181654.db2.gz PRBSAJLQKVVIQE-NXEZZACHSA-N 2 0 229.368 0.722 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000449358164 388181776 /nfs/dbraw/zinc/18/17/76/388181776.db2.gz FBZOGQDQMMNFKQ-PWSUYJOCSA-N 2 0 239.363 0.727 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449371859 388184882 /nfs/dbraw/zinc/18/48/82/388184882.db2.gz ZKEIWSRRAKPEEX-SECBINFHSA-N 2 0 213.325 0.243 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449058695 388136938 /nfs/dbraw/zinc/13/69/38/388136938.db2.gz LIMJMDXNHOGMKR-UTUOFQBUSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CC(C)(C)[NH3+] ZINC000646070706 388137101 /nfs/dbraw/zinc/13/71/01/388137101.db2.gz KTBMNYFTNPNLAK-GHMZBOCLSA-N 2 0 241.379 0.912 20 0 BCADRP COC(=O)COC[C@H](C)[NH2+]CCC[NH+](C)C ZINC000449060876 388137212 /nfs/dbraw/zinc/13/72/12/388137212.db2.gz DZYVJJXZOJDHKH-JTQLQIEISA-N 2 0 232.324 0.106 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000449080884 388140660 /nfs/dbraw/zinc/14/06/60/388140660.db2.gz ADFQAGOALPHVTK-NXEZZACHSA-N 2 0 227.352 0.489 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[C@H](C)[NH3+] ZINC000449098381 388141918 /nfs/dbraw/zinc/14/19/18/388141918.db2.gz JCSDMVFBOPNDDF-VHSXEESVSA-N 2 0 229.368 0.864 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[C@@H](C)[NH3+] ZINC000449098379 388142154 /nfs/dbraw/zinc/14/21/54/388142154.db2.gz JCSDMVFBOPNDDF-NXEZZACHSA-N 2 0 229.368 0.864 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000449102706 388142751 /nfs/dbraw/zinc/14/27/51/388142751.db2.gz LAAWWCGFXWRVOM-MNOVXSKESA-N 2 0 241.379 0.879 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000449102708 388143102 /nfs/dbraw/zinc/14/31/02/388143102.db2.gz LAAWWCGFXWRVOM-WDEREUQCSA-N 2 0 241.379 0.879 20 0 BCADRP CCCN(C(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000449109676 388143509 /nfs/dbraw/zinc/14/35/09/388143509.db2.gz XJKJEDXTRXGJQC-GRYCIOLGSA-N 2 0 239.363 0.442 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000449118038 388145267 /nfs/dbraw/zinc/14/52/67/388145267.db2.gz WHMNNSPKPFWDSA-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000449118256 388145274 /nfs/dbraw/zinc/14/52/74/388145274.db2.gz XFCWUTHSMXJDTJ-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449119333 388145366 /nfs/dbraw/zinc/14/53/66/388145366.db2.gz YDJRYGGQAAAVLX-KOLCDFICSA-N 2 0 227.352 0.617 20 0 BCADRP CC(C)([NH3+])CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449131493 388145538 /nfs/dbraw/zinc/14/55/38/388145538.db2.gz MZNQKECHIDNUPN-ZJUUUORDSA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449127441 388146027 /nfs/dbraw/zinc/14/60/27/388146027.db2.gz WQWMKRJFSBTVII-CKYFFXLPSA-N 2 0 227.352 0.332 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000449127457 388146235 /nfs/dbraw/zinc/14/62/35/388146235.db2.gz WSGZGINVBDCCEK-VWYCJHECSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449125745 388146353 /nfs/dbraw/zinc/14/63/53/388146353.db2.gz TZWOAVUBLKBWIM-BXKDBHETSA-N 2 0 227.352 0.617 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000449133426 388147173 /nfs/dbraw/zinc/14/71/73/388147173.db2.gz YKUBZRGUNCCTGI-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449142492 388147955 /nfs/dbraw/zinc/14/79/55/388147955.db2.gz TUMGFSTZTSFNNP-PWSUYJOCSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000449143633 388148357 /nfs/dbraw/zinc/14/83/57/388148357.db2.gz WZQLOQDZSYWJPS-SECBINFHSA-N 2 0 227.352 0.570 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000449148487 388149296 /nfs/dbraw/zinc/14/92/96/388149296.db2.gz TWVMDNAFDHJIBU-QJPTWQEYSA-N 2 0 241.379 0.973 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000449179717 388154255 /nfs/dbraw/zinc/15/42/55/388154255.db2.gz WOGZAPKQANRIEJ-OPRDCNLKSA-N 2 0 225.336 0.336 20 0 BCADRP OCCCN1CCC[C@@H]1C[NH2+][C@H]1CCSC1 ZINC000449388031 388190398 /nfs/dbraw/zinc/19/03/98/388190398.db2.gz NTWSGXJQVGYUGX-NWDGAFQWSA-N 2 0 244.404 0.928 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000489552891 388220456 /nfs/dbraw/zinc/22/04/56/388220456.db2.gz NIVCZBSGJNNNIR-NWDGAFQWSA-N 2 0 235.331 0.786 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000489519760 388220950 /nfs/dbraw/zinc/22/09/50/388220950.db2.gz YDIPJENQJNEMSG-SNVBAGLBSA-N 2 0 227.352 0.892 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000449530056 388224987 /nfs/dbraw/zinc/22/49/87/388224987.db2.gz BTZHPZWZQYSYPE-OPRDCNLKSA-N 2 0 213.325 0.323 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000449543753 388227744 /nfs/dbraw/zinc/22/77/44/388227744.db2.gz OVXAERJPKZYZQW-IRCOFANPSA-N 2 0 241.379 0.877 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000449546145 388228808 /nfs/dbraw/zinc/22/88/08/388228808.db2.gz UVWCZBZCNNUXKK-QFOLPQNPSA-N 2 0 239.363 0.630 20 0 BCADRP CC(C)[C@H]1CN(C(=O)CCCC[NH3+])CC[NH2+]1 ZINC000646327765 388229475 /nfs/dbraw/zinc/22/94/75/388229475.db2.gz UCWCDIQKXQTESA-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP COCCN(Cc1cncn1C)[C@H]1CCOC1 ZINC000490081616 388234841 /nfs/dbraw/zinc/23/48/41/388234841.db2.gz BOZVLKLEFSZWFX-NSHDSACASA-N 2 0 239.319 0.657 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449569500 388236055 /nfs/dbraw/zinc/23/60/55/388236055.db2.gz HMBMDVQETPBJRC-WHOHXGKFSA-N 2 0 237.347 0.195 20 0 BCADRP C[NH+](C)CCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000490449945 388239472 /nfs/dbraw/zinc/23/94/72/388239472.db2.gz BBBGYKMUQIFLSM-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449599738 388239857 /nfs/dbraw/zinc/23/98/57/388239857.db2.gz HRVNKSKRYZKYNB-GMTAPVOTSA-N 2 0 227.352 0.713 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449599348 388239922 /nfs/dbraw/zinc/23/99/22/388239922.db2.gz GJDFLTWLFAIZTA-YIZRAAEISA-N 2 0 201.314 0.356 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]([NH3+])CC ZINC000449605365 388240434 /nfs/dbraw/zinc/24/04/34/388240434.db2.gz ZEOJTKWURORHQU-WPRPVWTQSA-N 2 0 201.314 0.357 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000449609606 388242370 /nfs/dbraw/zinc/24/23/70/388242370.db2.gz NUVYTPCTJMCDHU-ONGXEEELSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@]1(CC)CCC[NH2+]1 ZINC000449611416 388242454 /nfs/dbraw/zinc/24/24/54/388242454.db2.gz VPGTUJPVBYOZPI-KOLCDFICSA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000449611388 388242568 /nfs/dbraw/zinc/24/25/68/388242568.db2.gz VLTXYVVPVMNAKN-AXFHLTTASA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1CC[NH2+][C@H]1CC ZINC000449610855 388242646 /nfs/dbraw/zinc/24/26/46/388242646.db2.gz SEQNNXPTBMXYEF-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449610974 388242917 /nfs/dbraw/zinc/24/29/17/388242917.db2.gz SXGGDLBPMCZFOP-VWYCJHECSA-N 2 0 227.352 0.748 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449617980 388244162 /nfs/dbraw/zinc/24/41/62/388244162.db2.gz ALRTVBUCAUGBGF-QMMMGPOBSA-N 2 0 237.294 0.427 20 0 BCADRP C[C@]1(C(=O)N[C@@H](CC[NH3+])C(F)F)CCCC[NH2+]1 ZINC000449619616 388244236 /nfs/dbraw/zinc/24/42/36/388244236.db2.gz CPMXUPARWPGNBZ-GZMMTYOYSA-N 2 0 249.305 0.617 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000449621555 388244408 /nfs/dbraw/zinc/24/44/08/388244408.db2.gz HUCCGKCJVLVWHF-MRVPVSSYSA-N 2 0 237.294 0.427 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H]1CCOC1)C2 ZINC000629585642 388283115 /nfs/dbraw/zinc/28/31/15/388283115.db2.gz ZVABNHPZNXJVQT-RWMBFGLXSA-N 2 0 224.348 0.954 20 0 BCADRP C[NH+](C)C/C=C\C(=O)N1CC[NH+]2CCC1CC2 ZINC000492028543 388332117 /nfs/dbraw/zinc/33/21/17/388332117.db2.gz DPTJBSKUFLTHAJ-ARJAWSKDSA-N 2 0 237.347 0.411 20 0 BCADRP COC1(C[NH2+]C[C@H](C)C[NH+](C)C)CCOCC1 ZINC000491596733 388304716 /nfs/dbraw/zinc/30/47/16/388304716.db2.gz NJUCNDFOHVVICL-LBPRGKRZSA-N 2 0 244.379 0.969 20 0 BCADRP C[C@H]1C[N@H+](C)CCN1C(=O)/C=C\C[NH+](C)C ZINC000491869761 388325460 /nfs/dbraw/zinc/32/54/60/388325460.db2.gz NMXVTISRUGEUNA-GZTOBOFZSA-N 2 0 225.336 0.267 20 0 BCADRP C[NH+](C)C/C=C\C(=O)NCCC[NH+](C)C ZINC000491875640 388325816 /nfs/dbraw/zinc/32/58/16/388325816.db2.gz ZLTQJVKWLQVABF-ALCCZGGFSA-N 2 0 213.325 0.172 20 0 BCADRP C[NH+](C)C/C=C/C(=O)NCC(C)(C)[NH+](C)C ZINC000491893129 388326817 /nfs/dbraw/zinc/32/68/17/388326817.db2.gz NILWIARCTAWHHM-BQYQJAHWSA-N 2 0 227.352 0.561 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)/C=C\C[NH+](C)C)C1 ZINC000491910864 388327353 /nfs/dbraw/zinc/32/73/53/388327353.db2.gz ZGMFSYQGNWFOGO-XYLWRLHESA-N 2 0 239.363 0.705 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336003 388261546 /nfs/dbraw/zinc/26/15/46/388261546.db2.gz FMCHKZOETMXOMY-GARJFASQSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646335908 388261748 /nfs/dbraw/zinc/26/17/48/388261748.db2.gz BOAYZLVBGKNJKA-FIQHERPVSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@]1(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC[NH2+]C1 ZINC000646336148 388261859 /nfs/dbraw/zinc/26/18/59/388261859.db2.gz JPMDJWYHGVYCSE-GVXVVHGQSA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)o1 ZINC000646336044 388261962 /nfs/dbraw/zinc/26/19/62/388261962.db2.gz FYKLXDOJOMFVPR-ONGXEEELSA-N 2 0 249.314 0.562 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)co1 ZINC000646336264 388262123 /nfs/dbraw/zinc/26/21/23/388262123.db2.gz MAEZDJIDWSCCBF-SKDRFNHKSA-N 2 0 249.314 0.562 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336313 388262133 /nfs/dbraw/zinc/26/21/33/388262133.db2.gz NQAQQKDDOVQAEF-HBNTYKKESA-N 2 0 237.347 0.195 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646336409 388262598 /nfs/dbraw/zinc/26/25/98/388262598.db2.gz RFIXPXYULZZNRB-NXEZZACHSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953452 388269279 /nfs/dbraw/zinc/26/92/79/388269279.db2.gz UPTXHVOSRLVBEX-PWSUYJOCSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953485 388269416 /nfs/dbraw/zinc/26/94/16/388269416.db2.gz VUUINCBMAJPNDP-RYUDHWBXSA-N 2 0 239.363 0.570 20 0 BCADRP CC1(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[NH2+]C1 ZINC000645953380 388269523 /nfs/dbraw/zinc/26/95/23/388269523.db2.gz RKYYGHVHZXVGLC-LLVKDONJSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000646372408 388346941 /nfs/dbraw/zinc/34/69/41/388346941.db2.gz FXOSTFOWUIAWOU-SNVBAGLBSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646373755 388347056 /nfs/dbraw/zinc/34/70/56/388347056.db2.gz ZUQGNOOTLZFFIB-SRVKXCTJSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[N@H+](C)CC1CC[NH+](CC(N)=O)CC1 ZINC000524156076 388348376 /nfs/dbraw/zinc/34/83/76/388348376.db2.gz HFCXHOPKJWDALZ-UHFFFAOYSA-N 2 0 227.352 0.524 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646394515 388350412 /nfs/dbraw/zinc/35/04/12/388350412.db2.gz YFQFOGHWMDERIS-VIFPVBQESA-N 2 0 227.352 0.441 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648783030 388351498 /nfs/dbraw/zinc/35/14/98/388351498.db2.gz MJTQSYAEZHCSBA-IJLUTSLNSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648783031 388351556 /nfs/dbraw/zinc/35/15/56/388351556.db2.gz MJTQSYAEZHCSBA-QJPTWQEYSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@@H]1CN(C(=O)C2([NH3+])CCCCC2)C[C@@H](C)[NH2+]1 ZINC000131861869 388353583 /nfs/dbraw/zinc/35/35/83/388353583.db2.gz JBQFACQAFQCAER-GHMZBOCLSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000646427826 388356919 /nfs/dbraw/zinc/35/69/19/388356919.db2.gz TZNFBRWVGWAPRW-MNOVXSKESA-N 2 0 241.379 0.912 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000646450206 388361109 /nfs/dbraw/zinc/36/11/09/388361109.db2.gz LKYQMKYBUXNTFE-LLVKDONJSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000572641217 388361615 /nfs/dbraw/zinc/36/16/15/388361615.db2.gz XKUHDHPVQDUDCJ-UWVGGRQHSA-N 2 0 213.325 0.372 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000646657783 388405129 /nfs/dbraw/zinc/40/51/29/388405129.db2.gz XRLVBDPFAIRKDL-GHMZBOCLSA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000572713991 388369552 /nfs/dbraw/zinc/36/95/52/388369552.db2.gz RGVIHGZDIJEWJV-VIFPVBQESA-N 2 0 245.392 0.325 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN1CC2CCC1(C[NH3+])CC2 ZINC000519425295 256648400 /nfs/dbraw/zinc/64/84/00/256648400.db2.gz LBQXCMCJXGXEJZ-OTTFEQOBSA-N 2 0 241.379 0.160 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000572780235 388373520 /nfs/dbraw/zinc/37/35/20/388373520.db2.gz DKHHASSGPZNYNJ-ONGXEEELSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000572760865 388374812 /nfs/dbraw/zinc/37/48/12/388374812.db2.gz GNRHGJZPPGJFDJ-KWBADKCTSA-N 2 0 247.342 0.725 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000519597489 256652130 /nfs/dbraw/zinc/65/21/30/256652130.db2.gz APRXDRUMTFPHAH-WEDXCCLWSA-N 2 0 211.309 0.075 20 0 BCADRP [NH3+][C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CCC1 ZINC000519601099 256653096 /nfs/dbraw/zinc/65/30/96/256653096.db2.gz NGWZIHYIMRLKFZ-WOPDTQHZSA-N 2 0 237.347 0.324 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000646533870 388377618 /nfs/dbraw/zinc/37/76/18/388377618.db2.gz LAGKBAYFOODLFI-LLVKDONJSA-N 2 0 239.363 0.526 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000354292801 388378767 /nfs/dbraw/zinc/37/87/67/388378767.db2.gz XOFNPPQJVVMCLJ-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@]1(C(=O)N2CCC(CC[NH3+])CC2)CCC[NH2+]1 ZINC000572850973 388381821 /nfs/dbraw/zinc/38/18/21/388381821.db2.gz FCERMYOQYYGSHF-CYBMUJFWSA-N 2 0 239.363 0.716 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH2+]C ZINC000236762863 388382411 /nfs/dbraw/zinc/38/24/11/388382411.db2.gz WKNPBLWPMSTMNS-NXEZZACHSA-N 2 0 215.341 0.476 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000236700221 388382709 /nfs/dbraw/zinc/38/27/09/388382709.db2.gz ZHTJUDNPMLIVDL-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000572878462 388382805 /nfs/dbraw/zinc/38/28/05/388382805.db2.gz HYFSWRNLDRRLMC-WZRBSPASSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000572869434 388383438 /nfs/dbraw/zinc/38/34/38/388383438.db2.gz ZVEYMCDYUNQSQP-SDDRHHMPSA-N 2 0 239.363 0.490 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@H](C)C[NH3+] ZINC000236842346 388384279 /nfs/dbraw/zinc/38/42/79/388384279.db2.gz JJHLBNVKSMFUFT-SECBINFHSA-N 2 0 201.314 0.039 20 0 BCADRP [NH3+]C1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000646568141 388384321 /nfs/dbraw/zinc/38/43/21/388384321.db2.gz ATDBQBWBMSXELH-NSHDSACASA-N 2 0 225.336 0.468 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000236824842 388384818 /nfs/dbraw/zinc/38/48/18/388384818.db2.gz VUCIBXMDWXQCRU-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCCC[NH2+]C ZINC000519827111 256660690 /nfs/dbraw/zinc/66/06/90/256660690.db2.gz RYERZCLOSGFSJZ-SECBINFHSA-N 2 0 201.314 0.100 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000646578228 388387811 /nfs/dbraw/zinc/38/78/11/388387811.db2.gz RFJJTCLYAARGDV-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)CCOC2C[NH2+]C2)c1 ZINC000646578752 388388878 /nfs/dbraw/zinc/38/88/78/388388878.db2.gz CVIMGAUEGMIYNB-UHFFFAOYSA-N 2 0 249.314 0.462 20 0 BCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)C[NH3+] ZINC000237085090 388390211 /nfs/dbraw/zinc/39/02/11/388390211.db2.gz QCSFXUZULMUBOS-NSHDSACASA-N 2 0 241.379 0.772 20 0 BCADRP C[NH2+]CCCC(=O)NCC1([NH3+])CCCCC1 ZINC000237156297 388390700 /nfs/dbraw/zinc/39/07/00/388390700.db2.gz LJWMKUTWFUQIAT-UHFFFAOYSA-N 2 0 227.352 0.764 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000237157491 388390861 /nfs/dbraw/zinc/39/08/61/388390861.db2.gz NAPIIUUIKPGBBN-CMPLNLGQSA-N 2 0 227.352 0.348 20 0 BCADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2COCCN2)c1 ZINC000237227889 388392089 /nfs/dbraw/zinc/39/20/89/388392089.db2.gz SEGSYBZWACMMOC-LBPRGKRZSA-N 2 0 249.314 0.333 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000237319992 388392680 /nfs/dbraw/zinc/39/26/80/388392680.db2.gz NAPIIUUIKPGBBN-ZYHUDNBSSA-N 2 0 227.352 0.348 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000237363676 388393982 /nfs/dbraw/zinc/39/39/82/388393982.db2.gz SSYWLDISWINQSO-GXFFZTMASA-N 2 0 247.342 0.412 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000646609043 388394471 /nfs/dbraw/zinc/39/44/71/388394471.db2.gz HCVZYPMYEQSWBB-JTQLQIEISA-N 2 0 225.336 0.182 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)NCC1CC[NH2+]CC1 ZINC000646615342 388395815 /nfs/dbraw/zinc/39/58/15/388395815.db2.gz HCTXVFORZILWJN-LLVKDONJSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000237557537 388397301 /nfs/dbraw/zinc/39/73/01/388397301.db2.gz SSYWLDISWINQSO-ZWNOBZJWSA-N 2 0 247.342 0.412 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646635577 388398433 /nfs/dbraw/zinc/39/84/33/388398433.db2.gz SKCGWKYOLVNRBG-SDDRHHMPSA-N 2 0 237.347 0.100 20 0 BCADRP C[C@H](NC(=O)CC(C)(C)[NH3+])[C@H]1CCC[NH2+]C1 ZINC000646664114 388406775 /nfs/dbraw/zinc/40/67/75/388406775.db2.gz XUBUWMLSWYJBCL-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000238065793 388400326 /nfs/dbraw/zinc/40/03/26/388400326.db2.gz FVJIBGZWBFIWMQ-RHYQMDGZSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000646664113 388406788 /nfs/dbraw/zinc/40/67/88/388406788.db2.gz XUBUWMLSWYJBCL-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000646650866 388402882 /nfs/dbraw/zinc/40/28/82/388402882.db2.gz MADWMDQELLVNQV-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000514603959 256681311 /nfs/dbraw/zinc/68/13/11/256681311.db2.gz BNMUUJXJSZGGMD-NHCYSSNCSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000167337595 388440191 /nfs/dbraw/zinc/44/01/91/388440191.db2.gz XGCLLQDBPDVCCU-NSHDSACASA-N 2 0 241.379 0.973 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000646732573 388440750 /nfs/dbraw/zinc/44/07/50/388440750.db2.gz STBFLVOKHJRBEK-SNVBAGLBSA-N 2 0 225.336 0.195 20 0 BCADRP C[N@H+](CCC[NH3+])C[C@@H]1CCCC[C@H]1O ZINC000336904833 388442484 /nfs/dbraw/zinc/44/24/84/388442484.db2.gz WLJOBFGDMUATQM-WDEREUQCSA-N 2 0 200.326 0.818 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000515058441 256731572 /nfs/dbraw/zinc/73/15/72/256731572.db2.gz UDQOAMWRLKHGBX-NRPADANISA-N 2 0 228.340 0.149 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[C@H](C)[NH3+] ZINC000515058895 256732515 /nfs/dbraw/zinc/73/25/15/256732515.db2.gz HEUIBHUNQRZUAS-KXNHARMFSA-N 2 0 241.379 0.720 20 0 BCADRP C[NH+](C)CC(C)(C)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000308638677 388446568 /nfs/dbraw/zinc/44/65/68/388446568.db2.gz WSTPRHIBHHNVJM-GFCCVEGCSA-N 2 0 243.395 0.371 20 0 BCADRP [NH3+][C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000335045262 388448188 /nfs/dbraw/zinc/44/81/88/388448188.db2.gz MXHKVNHBKUZTNN-VXGBXAGGSA-N 2 0 237.347 0.420 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]C ZINC000646742803 388451642 /nfs/dbraw/zinc/45/16/42/388451642.db2.gz FGPSTRKRWINXTR-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]C1CC1 ZINC000649270769 388480855 /nfs/dbraw/zinc/48/08/55/388480855.db2.gz SRQVUMRQHJCKAX-GHMZBOCLSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000336268640 388456306 /nfs/dbraw/zinc/45/63/06/388456306.db2.gz ZUXOZINYIKLTSO-NEPJUHHUSA-N 2 0 211.353 0.657 20 0 BCADRP CCOC(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397291229 388457029 /nfs/dbraw/zinc/45/70/29/388457029.db2.gz AGBMXYZGWDUJIP-VWYCJHECSA-N 2 0 228.336 0.855 20 0 BCADRP CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000336659614 388460807 /nfs/dbraw/zinc/46/08/07/388460807.db2.gz NHSZAFVSZUKJKN-WDEREUQCSA-N 2 0 229.368 0.960 20 0 BCADRP C[N@H+](C[C@@H](O)CN1CCC[C@](C)(O)C1)C1CC1 ZINC000336716927 388467654 /nfs/dbraw/zinc/46/76/54/388467654.db2.gz QDRIOYFHFKNRGM-OLZOCXBDSA-N 2 0 242.363 0.288 20 0 BCADRP C[C@@H]1C[C@H](C)N(Cc2cn(C)nn2)C[C@H]1C[NH3+] ZINC000397439465 388469903 /nfs/dbraw/zinc/46/99/03/388469903.db2.gz DTVYTTJHPWOIRB-OUAUKWLOSA-N 2 0 237.351 0.620 20 0 BCADRP C[NH+](C)CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000134463239 388475964 /nfs/dbraw/zinc/47/59/64/388475964.db2.gz RMIISCDPHVVXGN-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP C([C@@H]1CCOC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000393801676 388410385 /nfs/dbraw/zinc/41/03/85/388410385.db2.gz SYFJIPMISUBDLZ-RWMBFGLXSA-N 2 0 224.348 0.954 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000646672805 388411532 /nfs/dbraw/zinc/41/15/32/388411532.db2.gz PVKAIGJGOFMVRL-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000646672804 388411800 /nfs/dbraw/zinc/41/18/00/388411800.db2.gz PVKAIGJGOFMVRL-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]CCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000646679216 388414511 /nfs/dbraw/zinc/41/45/11/388414511.db2.gz IXCDEIKAJLBHEE-VIFPVBQESA-N 2 0 221.304 0.656 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H]1CCC[NH2+]1 ZINC000646684459 388415330 /nfs/dbraw/zinc/41/53/30/388415330.db2.gz COEFXADAZNKPEN-WDEREUQCSA-N 2 0 225.336 0.387 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000646699037 388420228 /nfs/dbraw/zinc/42/02/28/388420228.db2.gz RVYHYWYMWVXYJQ-LLVKDONJSA-N 2 0 227.352 0.490 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000573118526 388420858 /nfs/dbraw/zinc/42/08/58/388420858.db2.gz ZLDWWJVPJBAEIJ-QWRGUYRKSA-N 2 0 221.304 0.540 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000573118102 388421221 /nfs/dbraw/zinc/42/12/21/388421221.db2.gz NWSNXTUIVDBHFW-VXGBXAGGSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000646713766 388427419 /nfs/dbraw/zinc/42/74/19/388427419.db2.gz YFRRZHIMSRZCEG-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000166640219 388429985 /nfs/dbraw/zinc/42/99/85/388429985.db2.gz ZTYFPIAVYOHXEZ-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)CC[NH2+]C1CC1 ZINC000514826137 256720831 /nfs/dbraw/zinc/72/08/31/256720831.db2.gz DGAMVEZIMQDCPM-UHFFFAOYSA-N 2 0 213.325 0.372 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000573245996 388435249 /nfs/dbraw/zinc/43/52/49/388435249.db2.gz JLMBNHLMLRJQSI-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000573235629 388435272 /nfs/dbraw/zinc/43/52/72/388435272.db2.gz IWBLYBGMUWYGMZ-UKKRHICBSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000517139851 388540033 /nfs/dbraw/zinc/54/00/33/388540033.db2.gz KNOGCDBRFPOZQI-GARJFASQSA-N 2 0 225.336 0.182 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)NCCC[C@@H]1CCC[NH2+]1 ZINC000517235246 388544708 /nfs/dbraw/zinc/54/47/08/388544708.db2.gz JWWQAKWKOSOTCI-NWDGAFQWSA-N 2 0 239.363 0.777 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)CC[C@H]1[NH3+] ZINC000646762920 388486417 /nfs/dbraw/zinc/48/64/17/388486417.db2.gz DSBMWTKFGSZUGQ-OPRDCNLKSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H]1CN(C(=O)CC2([NH3+])CCC2)CC[C@@H]1[NH3+] ZINC000646762959 388486473 /nfs/dbraw/zinc/48/64/73/388486473.db2.gz MNBJQZLDYMHCDR-UWVGGRQHSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC[C@@H]1[NH3+] ZINC000646762921 388487039 /nfs/dbraw/zinc/48/70/39/388487039.db2.gz DSBMWTKFGSZUGQ-UTLUCORTSA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[NH2+]CC1(C)C ZINC000649273359 388488256 /nfs/dbraw/zinc/48/82/56/388488256.db2.gz FEMSCCQBIJCPTO-UHFFFAOYSA-N 2 0 227.352 0.537 20 0 BCADRP CC[C@]1([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)CCOC1 ZINC000378736174 388490288 /nfs/dbraw/zinc/49/02/88/388490288.db2.gz GGVYBIXAQMQDTM-OLZOCXBDSA-N 2 0 244.379 0.846 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649275223 388492786 /nfs/dbraw/zinc/49/27/86/388492786.db2.gz XZGPBRCDIMRRKH-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000646769960 388493213 /nfs/dbraw/zinc/49/32/13/388493213.db2.gz NPZXQJNSESOAOR-GARJFASQSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1CCCN(CCOCC[NH3+])[C@H]1C[NH3+] ZINC000261555498 135194958 /nfs/dbraw/zinc/19/49/58/135194958.db2.gz VBYBWGADLDPPID-MNOVXSKESA-N 2 0 215.341 0.021 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000516580228 256794194 /nfs/dbraw/zinc/79/41/94/256794194.db2.gz DMWWAQJGRGYSOX-GMTAPVOTSA-N 2 0 227.352 0.713 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000576821668 388506994 /nfs/dbraw/zinc/50/69/94/388506994.db2.gz ZGDZERWCBKVKLQ-CMPLNLGQSA-N 2 0 241.379 0.816 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@H](COC)C1CC1 ZINC000397968751 388513486 /nfs/dbraw/zinc/51/34/86/388513486.db2.gz SGRFIWIYLUOFDO-GXSJLCMTSA-N 2 0 200.326 0.857 20 0 BCADRP O=C(C[NH2+][C@H]1CCC12CCC2)N1CC[NH2+]CC1 ZINC000516861317 388521259 /nfs/dbraw/zinc/52/12/59/388521259.db2.gz OSQPCZPSZFCXNW-NSHDSACASA-N 2 0 237.347 0.341 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH3+])CC1 ZINC000516180804 256766932 /nfs/dbraw/zinc/76/69/32/256766932.db2.gz KCFIOXKJHCLBSC-UHFFFAOYSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@H](CC(=O)N[C@@H](C)CC[NH3+])n1ccnc1 ZINC000516977488 388530349 /nfs/dbraw/zinc/53/03/49/388530349.db2.gz FENRCYHZJLWCAT-VHSXEESVSA-N 2 0 224.308 0.688 20 0 BCADRP [NH3+]CCCCC(=O)NCC1([NH3+])CCCCC1 ZINC000517028141 388533744 /nfs/dbraw/zinc/53/37/44/388533744.db2.gz MFWWYCGYOBGDCZ-UHFFFAOYSA-N 2 0 227.352 0.893 20 0 BCADRP [NH3+]CCOCCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000357106716 388552221 /nfs/dbraw/zinc/55/22/21/388552221.db2.gz QDLUXBGPXLIIRA-ZDUSSCGKSA-N 2 0 241.379 0.522 20 0 BCADRP COC[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186593703 256866236 /nfs/dbraw/zinc/86/62/36/256866236.db2.gz MJKBNRHLJOTTQT-STQMWFEESA-N 2 0 243.395 0.637 20 0 BCADRP Cc1noc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000358021498 388553660 /nfs/dbraw/zinc/55/36/60/388553660.db2.gz HPKRINVWULLNNM-ONGXEEELSA-N 2 0 238.335 0.850 20 0 BCADRP CO[C@@H](C[NH3+])CC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000646823339 388558609 /nfs/dbraw/zinc/55/86/09/388558609.db2.gz KJCGADOHCWQHFA-GHMZBOCLSA-N 2 0 245.367 0.182 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CO)C2CCOCC2)C1 ZINC000521271322 388567929 /nfs/dbraw/zinc/56/79/29/388567929.db2.gz GDLZCHGTYUTKRP-FRRDWIJNSA-N 2 0 242.363 0.633 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000581129984 388571194 /nfs/dbraw/zinc/57/11/94/388571194.db2.gz FIXBNQUATWMTLO-OUAUKWLOSA-N 2 0 225.336 0.052 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649301617 388584490 /nfs/dbraw/zinc/58/44/90/388584490.db2.gz HBMMTNBLIVUALA-FHUSYTEZSA-N 2 0 249.358 0.480 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649301608 388584542 /nfs/dbraw/zinc/58/45/42/388584542.db2.gz GLJLIMIQVDAGPV-FPYNETTCSA-N 2 0 249.358 0.195 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000521998461 388674040 /nfs/dbraw/zinc/67/40/40/388674040.db2.gz LCLPJHNWUPHCFO-TUAOUCFPSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H](C(=O)N(CC[NH3+])Cc1ccccc1)[C@H](C)[NH3+] ZINC000192127360 388674839 /nfs/dbraw/zinc/67/48/39/388674839.db2.gz XGQBVEVXEHUIEL-NEPJUHHUSA-N 2 0 249.358 0.957 20 0 BCADRP C[C@H](CC(=O)N(C)C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000530178043 388622054 /nfs/dbraw/zinc/62/20/54/388622054.db2.gz NWDUCGUWQOJERD-GHMZBOCLSA-N 2 0 239.363 0.727 20 0 BCADRP CCn1ncc(C[NH2+]C2CCC(C[NH3+])CC2)n1 ZINC000530207636 388626121 /nfs/dbraw/zinc/62/61/21/388626121.db2.gz DIGOVSQTZNNZBJ-UHFFFAOYSA-N 2 0 237.351 0.905 20 0 BCADRP CCn1nncc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000530208554 388626230 /nfs/dbraw/zinc/62/62/30/388626230.db2.gz HPKUTUFBOPYUGY-ONGXEEELSA-N 2 0 223.324 0.515 20 0 BCADRP CCOC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000530205210 388626289 /nfs/dbraw/zinc/62/62/89/388626289.db2.gz DQRZVRINRWVGKY-ZDUSSCGKSA-N 2 0 242.363 0.723 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530216143 388630520 /nfs/dbraw/zinc/63/05/20/388630520.db2.gz MWLBXMSQZHACCF-GHMZBOCLSA-N 3 0 211.353 0.988 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1COCC[NH2+]1 ZINC000530220692 388632572 /nfs/dbraw/zinc/63/25/72/388632572.db2.gz CMYZHDINFYATQP-TUAOUCFPSA-N 2 0 227.352 0.224 20 0 BCADRP C[C@H]([NH3+])CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240789 388637707 /nfs/dbraw/zinc/63/77/07/388637707.db2.gz NVNYPRPDQIVRCI-AAEUAGOBSA-N 2 0 241.379 0.424 20 0 BCADRP O[C@H](C[NH2+]CC12CC(C1)CO2)C[NH+]1CCCC1 ZINC000530242221 388637811 /nfs/dbraw/zinc/63/78/11/388637811.db2.gz OBSPTOADWSAVQP-OTTFEQOBSA-N 2 0 240.347 0.212 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000521876950 388638209 /nfs/dbraw/zinc/63/82/09/388638209.db2.gz LKEHTVMRNSYUIF-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@@H]1COCCN1 ZINC000530247401 388639737 /nfs/dbraw/zinc/63/97/37/388639737.db2.gz RTXFCRZYWAGGRK-IJLUTSLNSA-N 2 0 227.352 0.095 20 0 BCADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1COCCN1 ZINC000530247400 388639770 /nfs/dbraw/zinc/63/97/70/388639770.db2.gz RTXFCRZYWAGGRK-GRYCIOLGSA-N 2 0 227.352 0.095 20 0 BCADRP C[C@H](CCO)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000223039577 388646957 /nfs/dbraw/zinc/64/69/57/388646957.db2.gz FEZLVVSPIUOKEM-MXWKQRLJSA-N 2 0 200.326 0.864 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000551921752 388647528 /nfs/dbraw/zinc/64/75/28/388647528.db2.gz JXNMGFGQIRDKAU-VHSXEESVSA-N 2 0 248.330 0.335 20 0 BCADRP C[C@H](CCO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251202433 388746023 /nfs/dbraw/zinc/74/60/23/388746023.db2.gz KZBUNNCWHGWCDJ-WOPDTQHZSA-N 2 0 212.337 0.974 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)c1coc(C[NH3+])c1 ZINC000564209164 388708048 /nfs/dbraw/zinc/70/80/48/388708048.db2.gz LFQXPDQYOOENLC-JTQLQIEISA-N 2 0 225.292 0.451 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000522185178 388717421 /nfs/dbraw/zinc/71/74/21/388717421.db2.gz BVWCCXCPSMFPJZ-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CC[NH3+] ZINC000226397246 388718492 /nfs/dbraw/zinc/71/84/92/388718492.db2.gz JVHSLRZGIVTVDE-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP CSC[C@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000249490907 388724737 /nfs/dbraw/zinc/72/47/37/388724737.db2.gz YILULRZDGGEUDS-NWDGAFQWSA-N 2 0 246.420 0.984 20 0 BCADRP C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)C ZINC000564211029 388725544 /nfs/dbraw/zinc/72/55/44/388725544.db2.gz MTWFKYWOPJQAOY-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC000540022475 388792826 /nfs/dbraw/zinc/79/28/26/388792826.db2.gz PJNRKYCVCVNKRH-UTUOFQBUSA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@@H](C(=O)N(C)CCC[NH+](C)C)[NH+](C)C ZINC000540517404 388807255 /nfs/dbraw/zinc/80/72/55/388807255.db2.gz LVJMEZRZGNHAGX-NSHDSACASA-N 2 0 229.368 0.737 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000068195924 388766178 /nfs/dbraw/zinc/76/61/78/388766178.db2.gz XZBSWCNZJLWMAF-NSHDSACASA-N 2 0 241.379 0.926 20 0 BCADRP CCOC[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000128630399 388777223 /nfs/dbraw/zinc/77/72/23/388777223.db2.gz PDUMSQAFVPKRKB-CYBMUJFWSA-N 2 0 243.395 0.639 20 0 BCADRP CCN(C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000553816425 388790711 /nfs/dbraw/zinc/79/07/11/388790711.db2.gz QTOSELGVOVMCNA-UHFFFAOYSA-N 2 0 244.383 0.483 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000648771139 388861277 /nfs/dbraw/zinc/86/12/77/388861277.db2.gz FLYLPTJDHCHGSX-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP CC(=O)N1CC([NH2+]Cc2cccc3nccn32)C1 ZINC000564666536 388882924 /nfs/dbraw/zinc/88/29/24/388882924.db2.gz DXNHQYISDLFOJB-UHFFFAOYSA-N 2 0 244.298 0.655 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)C[NH2+]CC1CC1 ZINC000564730752 388885371 /nfs/dbraw/zinc/88/53/71/388885371.db2.gz QEIPUCCIOJLPAZ-UHFFFAOYSA-N 2 0 213.325 0.230 20 0 BCADRP CN(C(=O)c1ccc(C[NH3+])cc1)[C@@H](C[NH3+])C1CC1 ZINC000564798464 388890090 /nfs/dbraw/zinc/89/00/90/388890090.db2.gz UJNMNSBLLVOBSC-ZDUSSCGKSA-N 2 0 247.342 0.955 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC(C[NH3+])CC1 ZINC000564937042 388898733 /nfs/dbraw/zinc/89/87/33/388898733.db2.gz IYYGMHZWJHEDNI-UWVGGRQHSA-N 2 0 242.367 0.493 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NCC[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000564942362 388899677 /nfs/dbraw/zinc/89/96/77/388899677.db2.gz NVTIOMWIDBTMIJ-SRVKXCTJSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000564956778 388900827 /nfs/dbraw/zinc/90/08/27/388900827.db2.gz SCVXTOXHTFCQNP-MXWKQRLJSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000564955824 388901852 /nfs/dbraw/zinc/90/18/52/388901852.db2.gz ATBIWUYFPLIHKJ-JFGNBEQYSA-N 2 0 227.352 0.413 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)CCC[NH3+] ZINC000564569589 388878343 /nfs/dbraw/zinc/87/83/43/388878343.db2.gz FIDOZZWGOIRLOA-RKDXNWHRSA-N 2 0 201.314 0.213 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CC[C@@H](OCC(C)C)C1 ZINC000564576474 388878522 /nfs/dbraw/zinc/87/85/22/388878522.db2.gz MNMRYNJOWRIWHC-OLZOCXBDSA-N 2 0 244.379 0.704 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)CCC[NH3+] ZINC000564569588 388878925 /nfs/dbraw/zinc/87/89/25/388878925.db2.gz FIDOZZWGOIRLOA-DTWKUNHWSA-N 2 0 201.314 0.213 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@@H]([NH3+])CC(F)F ZINC000564996903 388906747 /nfs/dbraw/zinc/90/67/47/388906747.db2.gz ZRPNEFGEESNPFT-YUMQZZPRSA-N 2 0 249.305 0.473 20 0 BCADRP CC1(NC(=O)CC[C@@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC000564995881 388906837 /nfs/dbraw/zinc/90/68/37/388906837.db2.gz VXQLRVFWLNVJIA-LLVKDONJSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@H](CNC(=O)C1([NH3+])CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000262160934 388907677 /nfs/dbraw/zinc/90/76/77/388907677.db2.gz VBQKYYZICIBDFB-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000565003618 388907986 /nfs/dbraw/zinc/90/79/86/388907986.db2.gz LAGKJCJKYFVSGU-GMXVVIOVSA-N 2 0 249.358 0.798 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000565302520 388935923 /nfs/dbraw/zinc/93/59/23/388935923.db2.gz KCWZGNAZNGLOBD-VHSXEESVSA-N 2 0 225.336 0.243 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC ZINC000565033290 388909954 /nfs/dbraw/zinc/90/99/54/388909954.db2.gz ACDZTPCLXRIDEG-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CC1(C[NH3+])CC1 ZINC000565155102 388918135 /nfs/dbraw/zinc/91/81/35/388918135.db2.gz CYBJOMIHNJILPL-ZJUUUORDSA-N 2 0 225.336 0.454 20 0 BCADRP CC[C@H](C)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565233681 388924690 /nfs/dbraw/zinc/92/46/90/388924690.db2.gz OJNHYPCGUDIDPF-HBNTYKKESA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(=O)NCCF ZINC000565227024 388929516 /nfs/dbraw/zinc/92/95/16/388929516.db2.gz UEBDJXKIXUSNJT-IVZWLZJFSA-N 2 0 231.315 0.320 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000565302521 388934691 /nfs/dbraw/zinc/93/46/91/388934691.db2.gz KCWZGNAZNGLOBD-ZJUUUORDSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@H]1CC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000565308787 388935351 /nfs/dbraw/zinc/93/53/51/388935351.db2.gz DPHIMRIEVPMNTD-WDEREUQCSA-N 2 0 200.326 0.689 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000565312841 388937815 /nfs/dbraw/zinc/93/78/15/388937815.db2.gz CURBPBYIIFOOIX-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000565421351 388942978 /nfs/dbraw/zinc/94/29/78/388942978.db2.gz WNBQSMZQINMSTN-PWSUYJOCSA-N 2 0 235.331 0.410 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+]C(CC)(CC)CCO ZINC000565548987 388954422 /nfs/dbraw/zinc/95/44/22/388954422.db2.gz KRXBVDQHFBHVOK-GFCCVEGCSA-N 2 0 246.395 0.830 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CC1(C[NH3+])CC1 ZINC000565597022 388957198 /nfs/dbraw/zinc/95/71/98/388957198.db2.gz QRGPVHXYASPUFO-SECBINFHSA-N 2 0 213.325 0.215 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])[C@H](C)[NH3+] ZINC000565835153 388972884 /nfs/dbraw/zinc/97/28/84/388972884.db2.gz NUMLZHNGQKDGQE-NAKRPEOUSA-N 2 0 229.368 0.848 20 0 BCADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000566088499 388984058 /nfs/dbraw/zinc/98/40/58/388984058.db2.gz VWGIKLKQWWXDEO-JQWIXIFHSA-N 2 0 211.353 0.526 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCN1CCO[C@H](C)C1 ZINC000566069133 388986053 /nfs/dbraw/zinc/98/60/53/388986053.db2.gz WRIUHTPNRSHROP-JHJVBQTASA-N 2 0 241.379 0.376 20 0 BCADRP CCCC[C@@H](CC)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000566088053 388986402 /nfs/dbraw/zinc/98/64/02/388986402.db2.gz SFPDBUBYBHQMBZ-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP COC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000566111690 388987711 /nfs/dbraw/zinc/98/77/11/388987711.db2.gz FGJDAOLIDUMIAY-QWHCGFSZSA-N 2 0 244.379 0.561 20 0 BCADRP COC[C@H](O)C[NH2+]C[C@H]1CC[N@H+](CC(C)C)C1 ZINC000566111687 388988107 /nfs/dbraw/zinc/98/81/07/388988107.db2.gz FGJDAOLIDUMIAY-CHWSQXEVSA-N 2 0 244.379 0.561 20 0 BCADRP COC[C@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000566114164 388989181 /nfs/dbraw/zinc/98/91/81/388989181.db2.gz BERSSBDURZNTQW-WXRRBKDZSA-N 2 0 244.379 0.704 20 0 BCADRP Cn1ccc(CNCC2=CC[N@H+](C)CC2)n1 ZINC000271828045 389027119 /nfs/dbraw/zinc/02/71/19/389027119.db2.gz OIJVIPWMZFTYRE-UHFFFAOYSA-N 2 0 220.320 0.772 20 0 BCADRP CC(C)([NH3+])C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000335345023 136065866 /nfs/dbraw/zinc/06/58/66/136065866.db2.gz FXLUMYKYBCKADF-DTWKUNHWSA-N 2 0 213.325 0.357 20 0 BCADRP C([C@H]1CCOC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261535704 533377171 /nfs/dbraw/zinc/37/71/71/533377171.db2.gz PCHQMAAFDZHCGV-UTUOFQBUSA-N 2 0 210.321 0.564 20 0 BCADRP C([C@H]1CCOC1)[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000261527312 533377889 /nfs/dbraw/zinc/37/78/89/533377889.db2.gz RXZBOCKQFQPUJU-UTUOFQBUSA-N 2 0 210.321 0.849 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000494654083 533536694 /nfs/dbraw/zinc/53/66/94/533536694.db2.gz MPEMFELXFQQALF-QWRGUYRKSA-N 2 0 227.352 0.762 20 0 BCADRP [NH3+]CCCCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000040832441 322834286 /nfs/dbraw/zinc/83/42/86/322834286.db2.gz LSQFXKRYXUAOKN-GFCCVEGCSA-N 2 0 235.331 0.412 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C[NH2+]C1CC1 ZINC000041680168 322836206 /nfs/dbraw/zinc/83/62/06/322836206.db2.gz KDBCKZJKMVNOIE-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000361761814 132280308 /nfs/dbraw/zinc/28/03/08/132280308.db2.gz FAIQCKADASIABZ-SECBINFHSA-N 2 0 233.315 0.772 20 0 BCADRP OCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000034978941 132337381 /nfs/dbraw/zinc/33/73/81/132337381.db2.gz UJGBRHWZNNXNNJ-UHFFFAOYSA-N 2 0 221.304 0.632 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000343647458 133701366 /nfs/dbraw/zinc/70/13/66/133701366.db2.gz TVRLAPHLYGQFSS-USWWRNFRSA-N 2 0 233.315 0.635 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000345727901 133787866 /nfs/dbraw/zinc/78/78/66/133787866.db2.gz VMWADROSIWFWHX-ZYHUDNBSSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000335426863 133843085 /nfs/dbraw/zinc/84/30/85/133843085.db2.gz CTWSABBVTMNCDH-MFKMUULPSA-N 2 0 247.342 0.808 20 0 BCADRP [NH3+]CCC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000335462580 133853774 /nfs/dbraw/zinc/85/37/74/133853774.db2.gz QBXCSGXNIKYEBO-SNVBAGLBSA-N 2 0 219.288 0.252 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000335963673 134027867 /nfs/dbraw/zinc/02/78/67/134027867.db2.gz VFMWCSVIZIGRMZ-WDEREUQCSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335990379 134040442 /nfs/dbraw/zinc/04/04/42/134040442.db2.gz AUVQFBAVPWSSRQ-WCQYABFASA-N 2 0 239.363 0.716 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CC[NH2+]CC1 ZINC000336003942 134048564 /nfs/dbraw/zinc/04/85/64/134048564.db2.gz BYBWAYCTNHKULP-VXGBXAGGSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CC[NH2+]CC1 ZINC000336003939 134048675 /nfs/dbraw/zinc/04/86/75/134048675.db2.gz BYBWAYCTNHKULP-NEPJUHHUSA-N 2 0 239.363 0.585 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000336031849 134058762 /nfs/dbraw/zinc/05/87/62/134058762.db2.gz YFNVDXFOZBYBHK-YPMHNXCESA-N 2 0 237.347 0.341 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000336032488 134058860 /nfs/dbraw/zinc/05/88/60/134058860.db2.gz BEKUDQZSWQQMIF-YPMHNXCESA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)c2coc(C[NH3+])c2)[C@@H]1C ZINC000336156604 134106291 /nfs/dbraw/zinc/10/62/91/134106291.db2.gz JOLRRDKUKARMEZ-RKDXNWHRSA-N 2 0 237.303 0.561 20 0 BCADRP CN(C(=O)C[C@@H]1CCCC[C@H]1[NH3+])C1CC([NH3+])C1 ZINC000336211911 134134620 /nfs/dbraw/zinc/13/46/20/134134620.db2.gz PBQSHLRDOBKHNI-WNYYMSAVSA-N 2 0 239.363 0.842 20 0 BCADRP C[C@]1(CNC(=O)C2([NH3+])CCC2)CCC[NH2+]C1 ZINC000336213776 134135876 /nfs/dbraw/zinc/13/58/76/134135876.db2.gz DOILYZZHDWFJRL-NSHDSACASA-N 2 0 225.336 0.374 20 0 BCADRP C[C@@H]1CN(C(=O)C2([NH3+])CCC2)C[C@H](C)[NH2+]1 ZINC000336214410 134136156 /nfs/dbraw/zinc/13/61/56/134136156.db2.gz NUVPZMLHWLSMDV-DTORHVGOSA-N 2 0 211.309 0.077 20 0 BCADRP C[NH+](C)CC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000167916973 134154793 /nfs/dbraw/zinc/15/47/93/134154793.db2.gz RJCSHJOKSAYMDB-NSHDSACASA-N 2 0 221.304 0.364 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C[NH+](C)C)C1 ZINC000167947559 134154890 /nfs/dbraw/zinc/15/48/90/134154890.db2.gz VDPPKISEOYTRGL-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085012194 134220951 /nfs/dbraw/zinc/22/09/51/134220951.db2.gz GTMBDMZHFQKCBL-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000168557997 134226582 /nfs/dbraw/zinc/22/65/82/134226582.db2.gz PHDPTLVYRZWAPU-UWVGGRQHSA-N 2 0 214.309 0.609 20 0 BCADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cnn(C)c1 ZINC000219316227 134281304 /nfs/dbraw/zinc/28/13/04/134281304.db2.gz BWXZLZUMZLYYMO-NSHDSACASA-N 2 0 240.351 0.649 20 0 BCADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CCOC1 ZINC000219316991 134281642 /nfs/dbraw/zinc/28/16/42/134281642.db2.gz HOSRBAFHSCJIJY-NEPJUHHUSA-N 2 0 230.352 0.579 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H](C)C1C[NH2+]C1)C1CC1 ZINC000219907641 134297188 /nfs/dbraw/zinc/29/71/88/134297188.db2.gz YSTDIDGRFXOWKG-JTQLQIEISA-N 2 0 239.363 0.442 20 0 BCADRP [NH3+][C@H](C(=O)N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000178266461 134305718 /nfs/dbraw/zinc/30/57/18/134305718.db2.gz FNSHXVZQVTWOBD-QWRGUYRKSA-N 2 0 219.288 0.246 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000178405457 134310187 /nfs/dbraw/zinc/31/01/87/134310187.db2.gz QWKMIMWYFPRDOD-CMPLNLGQSA-N 2 0 233.315 0.494 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000178722414 134310692 /nfs/dbraw/zinc/31/06/92/134310692.db2.gz LQHMADYABUFWBH-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP CCCN(C(=O)[C@H](C)C[NH2+]C)[C@H]1CC[NH2+]C1 ZINC000178915294 134313650 /nfs/dbraw/zinc/31/36/50/134313650.db2.gz UZQDIRYTPIDMFI-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP CN(C(=O)CC(C)(C)[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000178814435 134315652 /nfs/dbraw/zinc/31/56/52/134315652.db2.gz MCWZZKDGJXEXMP-ZACCUICWSA-N 2 0 239.363 0.855 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH3+])[C@H](C)C1 ZINC000178814148 134315670 /nfs/dbraw/zinc/31/56/70/134315670.db2.gz LDJYNLHXHYCWKM-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000178870881 134316232 /nfs/dbraw/zinc/31/62/32/134316232.db2.gz SBLMRGFNYCCZSL-JOYOIKCWSA-N 2 0 243.326 0.274 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000180897278 134331945 /nfs/dbraw/zinc/33/19/45/134331945.db2.gz IOHAMTODPRKSSM-AAEUAGOBSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCOC2)CC[N@@H+]1C ZINC000222425499 134332055 /nfs/dbraw/zinc/33/20/55/134332055.db2.gz HBLBHPCEMHISAR-UTUOFQBUSA-N 2 0 228.336 0.210 20 0 BCADRP C[C@@H]1C[C@H](NC[C@@H](O)C(F)(F)F)CC[N@@H+]1C ZINC000222608431 134333690 /nfs/dbraw/zinc/33/36/90/134333690.db2.gz IBYJUUMRZORNSY-IWSPIJDZSA-N 2 0 240.269 0.982 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)CCO1 ZINC000223194515 134337627 /nfs/dbraw/zinc/33/76/27/134337627.db2.gz JBXFIPIRNLQZAK-IJLUTSLNSA-N 2 0 230.352 0.456 20 0 BCADRP CCC[NH+]1CCC([NH2+][C@H](CCO)COC)CC1 ZINC000223936607 134343313 /nfs/dbraw/zinc/34/33/13/134343313.db2.gz GHSPKLAJLMDQML-CYBMUJFWSA-N 2 0 244.379 0.848 20 0 BCADRP CC[C@@]1(C(=O)N2CC[C@@H](C[NH2+]C)C2)CCC[NH2+]1 ZINC000184074819 134357797 /nfs/dbraw/zinc/35/77/97/134357797.db2.gz FVORQNDAJWODED-AAEUAGOBSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000184074322 134357836 /nfs/dbraw/zinc/35/78/36/134357836.db2.gz UCRLVJMZBWRHBB-CMPLNLGQSA-N 2 0 225.336 0.326 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000226394035 134364991 /nfs/dbraw/zinc/36/49/91/134364991.db2.gz XXJBMHGTUZTWIT-ZJUUUORDSA-N 2 0 245.392 0.277 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185174738 134372456 /nfs/dbraw/zinc/37/24/56/134372456.db2.gz OMFLQKLKNVKDOB-HGCLJGPKSA-N 2 0 237.347 0.310 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000227002629 134373284 /nfs/dbraw/zinc/37/32/84/134373284.db2.gz YRQSZXUHSOLPCC-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP COC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000227130961 134376527 /nfs/dbraw/zinc/37/65/27/134376527.db2.gz MWDXAOQTVWLLLE-IRCOFANPSA-N 2 0 230.352 0.312 20 0 BCADRP CO[C@H](C[NH3+])C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000227351773 134378406 /nfs/dbraw/zinc/37/84/06/134378406.db2.gz AMYJLALQRYKJDY-GHMZBOCLSA-N 2 0 245.367 0.053 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000227881368 134394005 /nfs/dbraw/zinc/39/40/05/134394005.db2.gz FWOAMLOFZJKVCD-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000186689062 134429212 /nfs/dbraw/zinc/42/92/12/134429212.db2.gz PZXUIGFNNUPKAU-MNOVXSKESA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C1CC[NH2+]CC1 ZINC000049559639 134634306 /nfs/dbraw/zinc/63/43/06/134634306.db2.gz FWFNOQGZLJKWNL-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000131919099 134636474 /nfs/dbraw/zinc/63/64/74/134636474.db2.gz YATUSJQNFLMSAM-ZJUUUORDSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)C[C@H]1CCC[NH2+]1)C1CC1 ZINC000154956353 134682565 /nfs/dbraw/zinc/68/25/65/134682565.db2.gz FBIHDOGEMIVXHB-PWSUYJOCSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000155234896 134687936 /nfs/dbraw/zinc/68/79/36/134687936.db2.gz XGCGMFLQBMKCAB-AEJSXWLSSA-N 2 0 213.325 0.310 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000237081120 134842179 /nfs/dbraw/zinc/84/21/79/134842179.db2.gz FNLVOVMMXBIXQS-CYBMUJFWSA-N 2 0 239.363 0.729 20 0 BCADRP C[N@H+](CCNC(=O)C1([NH3+])CC1)C1CCCCC1 ZINC000237141002 134845354 /nfs/dbraw/zinc/84/53/54/134845354.db2.gz PWQWJPHADPJESU-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000248604427 135015354 /nfs/dbraw/zinc/01/53/54/135015354.db2.gz JRDRNQVBYUUAEV-HHHUOAJASA-N 2 0 237.347 0.310 20 0 BCADRP O[C@H](C[NH2+][C@@H]1CCCOC1)C[NH+]1CCCC1 ZINC000071013808 135017753 /nfs/dbraw/zinc/01/77/53/135017753.db2.gz VCDARDRTDXJGJA-VXGBXAGGSA-N 2 0 228.336 0.212 20 0 BCADRP Cc1c[nH+]ccc1N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000248672546 135018686 /nfs/dbraw/zinc/01/86/86/135018686.db2.gz VCKSDFUPKOZMPV-LBPRGKRZSA-N 2 0 235.331 0.893 20 0 BCADRP C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C)[NH3+] ZINC000249005909 135029716 /nfs/dbraw/zinc/02/97/16/135029716.db2.gz JAFIFFKLHLWNCE-OGZKGVCFSA-N 2 0 239.363 0.711 20 0 BCADRP C[C@H]1CSCC[N@@H+]1CCOCC[NH3+] ZINC000086435815 135083994 /nfs/dbraw/zinc/08/39/94/135083994.db2.gz XZKUYFJJRZHDJO-VIFPVBQESA-N 2 0 204.339 0.399 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000252093017 135083949 /nfs/dbraw/zinc/08/39/49/135083949.db2.gz DZMIJOSCNOMNSX-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CCCOC1 ZINC000086435787 135084184 /nfs/dbraw/zinc/08/41/84/135084184.db2.gz UXUVXORXADUCKO-NSHDSACASA-N 2 0 216.325 0.320 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CCCCO1 ZINC000086435487 135084186 /nfs/dbraw/zinc/08/41/86/135084186.db2.gz XPIIXIOMMGYDFF-NSHDSACASA-N 2 0 216.325 0.463 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000086435578 135084715 /nfs/dbraw/zinc/08/47/15/135084715.db2.gz AURJQIBNXXKPOF-QWRGUYRKSA-N 2 0 214.309 0.215 20 0 BCADRP COC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000252464841 135090894 /nfs/dbraw/zinc/09/08/94/135090894.db2.gz MWDXAOQTVWLLLE-NNYUYHANSA-N 2 0 230.352 0.312 20 0 BCADRP C[S@](=O)CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703339 135097835 /nfs/dbraw/zinc/09/78/35/135097835.db2.gz WQBGQSDNBSSOLL-WQGACYEGSA-N 2 0 244.404 0.971 20 0 BCADRP C[NH+]1CCC(C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000257709704 135101028 /nfs/dbraw/zinc/10/10/28/135101028.db2.gz QKIWOISDTKVDIK-LLVKDONJSA-N 2 0 225.336 0.278 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252715721 135101492 /nfs/dbraw/zinc/10/14/92/135101492.db2.gz WMZDSUPPKAJHAR-UTUOFQBUSA-N 2 0 230.352 0.314 20 0 BCADRP C[NH2+]CC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000086930509 135103195 /nfs/dbraw/zinc/10/31/95/135103195.db2.gz KHHJQBVMLQHXFZ-GHMZBOCLSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000252730511 135103431 /nfs/dbraw/zinc/10/34/31/135103431.db2.gz LRKZTIXDQOWGIK-FRRDWIJNSA-N 2 0 241.379 0.247 20 0 BCADRP CCN1CC[N@H+](CC2CC[NH2+]CC2)[C@@H](C)C1=O ZINC000261794387 135112305 /nfs/dbraw/zinc/11/23/05/135112305.db2.gz GKFFENZYRISLAZ-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000252874630 135114980 /nfs/dbraw/zinc/11/49/80/135114980.db2.gz VHSXYEUCBVVDSP-AXFHLTTASA-N 2 0 229.368 0.816 20 0 BCADRP CCC[C@H](O)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000253019887 135119296 /nfs/dbraw/zinc/11/92/96/135119296.db2.gz JLSNINDNEPTXLR-DCAQKATOSA-N 2 0 200.326 0.864 20 0 BCADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[C@H]([NH3+])C1 ZINC000257697832 135140051 /nfs/dbraw/zinc/14/00/51/135140051.db2.gz NLFJEJOSPQIOQD-RYUDHWBXSA-N 2 0 239.363 0.811 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[NH2+]1 ZINC000087471656 135141345 /nfs/dbraw/zinc/14/13/45/135141345.db2.gz QOXXONKORJRHDJ-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[N@@H+](Cc1ccc2c(c1)CCC2)C[C@H](O)C[NH3+] ZINC000259272482 135142823 /nfs/dbraw/zinc/14/28/23/135142823.db2.gz ZSEBMWJCUCYCQZ-CQSZACIVSA-N 2 0 234.343 0.927 20 0 BCADRP C[N@@H+](Cc1ccc2c(c1)CCC2)C[C@@H](O)C[NH3+] ZINC000259272479 135142908 /nfs/dbraw/zinc/14/29/08/135142908.db2.gz ZSEBMWJCUCYCQZ-AWEZNQCLSA-N 2 0 234.343 0.927 20 0 BCADRP CCN(CC)C(=O)[C@@H](C)N(C)CCC[NH2+]C ZINC000087472561 135143639 /nfs/dbraw/zinc/14/36/39/135143639.db2.gz VKYHGMJQWRNSMR-LLVKDONJSA-N 2 0 229.368 0.785 20 0 BCADRP C[C@H]1COCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261545766 135150728 /nfs/dbraw/zinc/15/07/28/135150728.db2.gz KJBFMBFCAJKYIX-VXGBXAGGSA-N 2 0 212.337 0.954 20 0 BCADRP C[NH+](C)CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261529427 135155810 /nfs/dbraw/zinc/15/58/10/135155810.db2.gz ASCZPGPEADFTRH-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP C[N@H+](C[C@@H]1CCC[C@@H]1O)CC(C)(C)[NH3+] ZINC000261531122 135159592 /nfs/dbraw/zinc/15/95/92/135159592.db2.gz FHBMDILLCFKVCD-UWVGGRQHSA-N 2 0 200.326 0.817 20 0 BCADRP C([C@@H]1CCOC1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261532058 135161477 /nfs/dbraw/zinc/16/14/77/135161477.db2.gz IYRAEGPLEMPERM-QJPTWQEYSA-N 2 0 210.321 0.707 20 0 BCADRP OCC[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261531870 135161909 /nfs/dbraw/zinc/16/19/09/135161909.db2.gz IDOWZMWRFKOQTN-GFCCVEGCSA-N 2 0 212.337 0.833 20 0 BCADRP COC(=O)[C@@H](C)C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261532459 135162776 /nfs/dbraw/zinc/16/27/76/135162776.db2.gz BWVILGDTDLKLMI-QWRGUYRKSA-N 2 0 228.336 0.727 20 0 BCADRP C[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000261533075 135163900 /nfs/dbraw/zinc/16/39/00/135163900.db2.gz FYKZDXWYYOIKOM-UHFFFAOYSA-N 2 0 227.352 0.442 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C(C)(C)[NH3+] ZINC000261534342 135166865 /nfs/dbraw/zinc/16/68/65/135166865.db2.gz MBHBZWWMNBEZSN-UHFFFAOYSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@@H](CNC(=O)C[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000261536303 135171696 /nfs/dbraw/zinc/17/16/96/135171696.db2.gz REQCWXWOZUWGGD-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H](O)C[C@@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000261538574 135176653 /nfs/dbraw/zinc/17/66/53/135176653.db2.gz YPZASNNSXXQWSF-UWVGGRQHSA-N 2 0 200.326 0.959 20 0 BCADRP CO[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1OC ZINC000261539872 135178665 /nfs/dbraw/zinc/17/86/65/135178665.db2.gz CCDAAYUFQMJVBN-LPWJVIDDSA-N 2 0 242.363 0.720 20 0 BCADRP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OCC1CC1 ZINC000261540806 135180163 /nfs/dbraw/zinc/18/01/63/135180163.db2.gz FGTAJBZQDABAHL-TXEJJXNPSA-N 2 0 210.321 0.564 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC1([NH3+])CCCCC1 ZINC000261540784 135180329 /nfs/dbraw/zinc/18/03/29/135180329.db2.gz FFGHEPRKVUMSCQ-SECBINFHSA-N 2 0 213.325 0.502 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000261543103 135183722 /nfs/dbraw/zinc/18/37/22/135183722.db2.gz HKYJNQMILAJGFH-ONGXEEELSA-N 2 0 215.341 0.603 20 0 BCADRP C[N@H+](CCOCC(F)F)C1CC[NH2+]CC1 ZINC000261543993 135185642 /nfs/dbraw/zinc/18/56/42/135185642.db2.gz IKKHFYHCMMYXCR-UHFFFAOYSA-N 2 0 222.279 0.952 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000261550416 135188933 /nfs/dbraw/zinc/18/89/33/135188933.db2.gz PKRRFVQVBMIXLM-ONGXEEELSA-N 2 0 213.325 0.372 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000084181752 135190339 /nfs/dbraw/zinc/19/03/39/135190339.db2.gz GMMKDJIHIMBLBX-NSHDSACASA-N 2 0 239.363 0.811 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CCC[NH2+]1 ZINC000261552309 135191421 /nfs/dbraw/zinc/19/14/21/135191421.db2.gz RBDANERHJOYBBV-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CCNC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216106 135192161 /nfs/dbraw/zinc/19/21/61/135192161.db2.gz HNTZFDZMTXUWRW-AXFHLTTASA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCn1ccnc1 ZINC000084216430 135192479 /nfs/dbraw/zinc/19/24/79/135192479.db2.gz ZJYCTXMWQYJMGY-NWDGAFQWSA-N 2 0 222.336 0.990 20 0 BCADRP C[C@H]1CCCN(CCOCC[NH3+])[C@H]1C[NH3+] ZINC000261555499 135195496 /nfs/dbraw/zinc/19/54/96/135195496.db2.gz VBYBWGADLDPPID-QWRGUYRKSA-N 2 0 215.341 0.021 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCOCC(F)F)C1 ZINC000261555480 135195584 /nfs/dbraw/zinc/19/55/84/135195584.db2.gz VAZTZJLKNBBKLW-RKDXNWHRSA-N 2 0 222.279 0.937 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000261556795 135197362 /nfs/dbraw/zinc/19/73/62/135197362.db2.gz WIKMYYUZWPSDBX-VIFPVBQESA-N 2 0 208.309 0.969 20 0 BCADRP O=C(CN1CC[C@@H]2C[NH2+]C[C@H]2C1)NCC1CC1 ZINC000261558837 135199377 /nfs/dbraw/zinc/19/93/77/135199377.db2.gz SSWBMRITMXTAQJ-NEPJUHHUSA-N 2 0 237.347 0.054 20 0 BCADRP O=C(CN1CC[C@H]2C[NH2+]C[C@@H]2C1)NCC1CC1 ZINC000261558838 135199410 /nfs/dbraw/zinc/19/94/10/135199410.db2.gz SSWBMRITMXTAQJ-NWDGAFQWSA-N 2 0 237.347 0.054 20 0 BCADRP C[C@H](O)[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261560375 135200936 /nfs/dbraw/zinc/20/09/36/135200936.db2.gz ZULZKWFFQGOQOA-SRVKXCTJSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000261563459 135205018 /nfs/dbraw/zinc/20/50/18/135205018.db2.gz BWOCUBSAEATSKK-IVZWLZJFSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@](C[NH3+])([NH2+]CCOCC(F)F)C1CC1 ZINC000261564219 135206032 /nfs/dbraw/zinc/20/60/32/135206032.db2.gz CKERSVPTXHLCRA-SNVBAGLBSA-N 2 0 222.279 0.985 20 0 BCADRP COC(=O)C(C)(C)CCN1CC[C@@H]([NH3+])C1 ZINC000261566430 135208611 /nfs/dbraw/zinc/20/86/11/135208611.db2.gz DNYCMARQVSZXKO-SECBINFHSA-N 2 0 214.309 0.609 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000261566383 135208741 /nfs/dbraw/zinc/20/87/41/135208741.db2.gz DLBHQRDHFJOBEX-UYAYMFIHSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000261570065 135211867 /nfs/dbraw/zinc/21/18/67/135211867.db2.gz GOELIICOPAXDHI-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP Cc1n[nH]cc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000261572005 135214369 /nfs/dbraw/zinc/21/43/69/135214369.db2.gz HYJUGLMDBHIESU-WPRPVWTQSA-N 2 0 208.309 0.887 20 0 BCADRP C[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1C[NH2+]C1 ZINC000164227858 135217283 /nfs/dbraw/zinc/21/72/83/135217283.db2.gz QAKWGDWYLJOSCB-ZYHUDNBSSA-N 2 0 237.347 0.149 20 0 BCADRP CC[N@H+](CCOCC[NH3+])Cc1cnn(C)c1 ZINC000261576872 135218480 /nfs/dbraw/zinc/21/84/80/135218480.db2.gz KQEWRKACYWGNNJ-UHFFFAOYSA-N 2 0 226.324 0.217 20 0 BCADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCn1cncn1 ZINC000261586025 135226721 /nfs/dbraw/zinc/22/67/21/135226721.db2.gz QWFHGUHWHGVXBF-NSHDSACASA-N 2 0 223.324 0.481 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000261591121 135231849 /nfs/dbraw/zinc/23/18/49/135231849.db2.gz VBQALCPADZHATO-SFGNSQDASA-N 2 0 213.325 0.213 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000261592421 135232714 /nfs/dbraw/zinc/23/27/14/135232714.db2.gz VVOFFSWQXRWWRB-NGZCFLSTSA-N 2 0 213.325 0.357 20 0 BCADRP C(C1CCOCC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261593455 135233392 /nfs/dbraw/zinc/23/33/92/135233392.db2.gz WWZZCQROCBYQLC-STQMWFEESA-N 2 0 224.348 0.954 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC1([NH3+])CCC1 ZINC000261593105 135233469 /nfs/dbraw/zinc/23/34/69/135233469.db2.gz WNGKRXURKQRUQN-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP C(C1CCC1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261594283 135234420 /nfs/dbraw/zinc/23/44/20/135234420.db2.gz XKYULKBNKMTQNW-CYBMUJFWSA-N 2 0 223.364 0.766 20 0 BCADRP NC[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261595262 135235051 /nfs/dbraw/zinc/23/50/51/135235051.db2.gz YACOUELMHGNWLQ-GFCCVEGCSA-N 2 0 211.353 0.799 20 0 BCADRP CC(C)([NH3+])CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261594965 135235408 /nfs/dbraw/zinc/23/54/08/135235408.db2.gz XWKAYKPPLMMOSQ-DCAQKATOSA-N 2 0 211.353 0.783 20 0 BCADRP C[NH2+]CC1CC[NH+](CCn2cncn2)CC1 ZINC000261597426 135236693 /nfs/dbraw/zinc/23/66/93/135236693.db2.gz ZBHBIGRIEHGCSU-UHFFFAOYSA-N 2 0 223.324 0.210 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000261547562 135240307 /nfs/dbraw/zinc/24/03/07/135240307.db2.gz MLXCNHDGTGHAPQ-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP O=C(CN1CC[C@@]2(CC[NH2+]C2)C1)NCC1CC1 ZINC000261548238 135241498 /nfs/dbraw/zinc/24/14/98/135241498.db2.gz JDUQECJMTHBVBT-CYBMUJFWSA-N 2 0 237.347 0.198 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000261681713 135244804 /nfs/dbraw/zinc/24/48/04/135244804.db2.gz HRKIBPHISOQQNE-HOSYDEDBSA-N 2 0 225.336 0.100 20 0 BCADRP C(NC1=[NH+]CCCN1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261685931 135246201 /nfs/dbraw/zinc/24/62/01/135246201.db2.gz AOKWBUVNCZEWKK-SNVBAGLBSA-N 2 0 222.336 0.410 20 0 BCADRP CC[N@H+](CC1CC[NH2+]CC1)[C@H]1CCNC1=O ZINC000261729081 135248200 /nfs/dbraw/zinc/24/82/00/135248200.db2.gz KCTNTJCKSALJKJ-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000084419804 135248667 /nfs/dbraw/zinc/24/86/67/135248667.db2.gz LCWCOYLCXJVALA-UWVGGRQHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@]1(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)CC[NH2+]C1 ZINC000261772833 135251303 /nfs/dbraw/zinc/25/13/03/135251303.db2.gz MWNFWAOEOSJXDL-VXGBXAGGSA-N 2 0 225.336 0.183 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261805899 135254543 /nfs/dbraw/zinc/25/45/43/135254543.db2.gz NAELDDWUTIUADK-VWYCJHECSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000261830893 135255986 /nfs/dbraw/zinc/25/59/86/135255986.db2.gz NDMSVVJZWIYGER-HBNTYKKESA-N 2 0 227.352 0.665 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000261860067 135258379 /nfs/dbraw/zinc/25/83/79/135258379.db2.gz POGKKVMNTFOBMG-DCAQKATOSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H](C(=O)NCC1C[NH2+]C1)[NH+]1CCCCCC1 ZINC000261883696 135259871 /nfs/dbraw/zinc/25/98/71/135259871.db2.gz ATLKRLXOWCZPKQ-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[C@H](C)[NH3+] ZINC000261898656 135260762 /nfs/dbraw/zinc/26/07/62/135260762.db2.gz UVENNRBTZBHIBE-GRYCIOLGSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H]1C ZINC000261890816 135260874 /nfs/dbraw/zinc/26/08/74/135260874.db2.gz VDNATQLNZIQSBR-NOOOWODRSA-N 2 0 239.363 0.713 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H](C)[NH3+])C1 ZINC000261903342 135261733 /nfs/dbraw/zinc/26/17/33/135261733.db2.gz VIGAFRBUFCEZGI-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP OCCO[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261922938 135263229 /nfs/dbraw/zinc/26/32/29/135263229.db2.gz KRTKKEMFYUMHQX-QWHCGFSZSA-N 2 0 242.363 0.459 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000261926130 135263499 /nfs/dbraw/zinc/26/34/99/135263499.db2.gz YGJFETHYWIAECK-LBPRGKRZSA-N 2 0 249.358 0.972 20 0 BCADRP OCC[C@@H]1CSCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261937025 135264089 /nfs/dbraw/zinc/26/40/89/135264089.db2.gz MGLZHRCJFYTOHM-NWDGAFQWSA-N 2 0 244.404 0.786 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)[NH+](C)C ZINC000261958791 135266490 /nfs/dbraw/zinc/26/64/90/135266490.db2.gz MFZBVDHPIVWYML-TUAOUCFPSA-N 2 0 241.379 0.768 20 0 BCADRP C[C@]1(C[N@@H+]2CCC[C@@H](OCCO)C2)CC[NH2+]C1 ZINC000261980320 135268607 /nfs/dbraw/zinc/26/86/07/135268607.db2.gz JCHNLJYVEHMOLC-OLZOCXBDSA-N 2 0 242.363 0.459 20 0 BCADRP C[C@@]1(C[N@@H+]2CCSC[C@@H]2CCO)CC[NH2+]C1 ZINC000261986606 135269663 /nfs/dbraw/zinc/26/96/63/135269663.db2.gz JTNDUOPDFVIFNV-NWDGAFQWSA-N 2 0 244.404 0.786 20 0 BCADRP COCCO[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262012416 135272329 /nfs/dbraw/zinc/27/23/29/135272329.db2.gz MKDDZVKMQSRBKB-OLZOCXBDSA-N 2 0 242.363 0.723 20 0 BCADRP C[C@]1(C[NH+]2CCC(OCCO)CC2)CC[NH2+]C1 ZINC000262017680 135272915 /nfs/dbraw/zinc/27/29/15/135272915.db2.gz MXBBLVZZODQWCQ-ZDUSSCGKSA-N 2 0 242.363 0.459 20 0 BCADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@@H](C(N)=O)C1 ZINC000262018920 135272978 /nfs/dbraw/zinc/27/29/78/135272978.db2.gz VZETWEFNJQODHS-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP COC(=O)[C@H]1CC12CCN(CC(C)(C)[NH3+])CC2 ZINC000262028091 135273750 /nfs/dbraw/zinc/27/37/50/135273750.db2.gz WWAQIUFVPUACOY-SNVBAGLBSA-N 2 0 240.347 0.999 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1CO ZINC000262022169 135273758 /nfs/dbraw/zinc/27/37/58/135273758.db2.gz WHOCTODCQMKYLJ-UTUOFQBUSA-N 2 0 212.337 0.546 20 0 BCADRP C[NH2+]CCC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262025968 135274312 /nfs/dbraw/zinc/27/43/12/135274312.db2.gz DKARKPDOILADFD-LLVKDONJSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@]1(C[NH+]2CCC(CC(N)=O)CC2)CC[NH2+]C1 ZINC000262051129 135275641 /nfs/dbraw/zinc/27/56/41/135275641.db2.gz QGPNNMHMXBODMW-ZDUSSCGKSA-N 2 0 239.363 0.573 20 0 BCADRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)nn1 ZINC000262067459 135276583 /nfs/dbraw/zinc/27/65/83/135276583.db2.gz RUEPGNWQFCSYSC-UHFFFAOYSA-N 2 0 235.335 0.391 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2([NH3+])CC2)C1 ZINC000262119697 135279653 /nfs/dbraw/zinc/27/96/53/135279653.db2.gz JGAPEMVVGGWZNH-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C2([NH3+])CC2)C1 ZINC000262119695 135279838 /nfs/dbraw/zinc/27/98/38/135279838.db2.gz JGAPEMVVGGWZNH-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@H](CNC(=O)CCC[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000262147563 135282371 /nfs/dbraw/zinc/28/23/71/135282371.db2.gz NBMFEWJSHFTDPK-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2CC1CC[NH2+]CC1 ZINC000262177578 135283951 /nfs/dbraw/zinc/28/39/51/135283951.db2.gz IHHWSWONMLGEMC-NEPJUHHUSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+]C[C@H](NC(=O)C1C[NH2+]C1)C1CCCCC1 ZINC000262170423 135284166 /nfs/dbraw/zinc/28/41/66/135284166.db2.gz CGOJGGRSMJQMJM-NSHDSACASA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)[NH+](C)C ZINC000262187227 135284559 /nfs/dbraw/zinc/28/45/59/135284559.db2.gz ZKERIBJVXGVVPZ-AAEUAGOBSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262263264 135288646 /nfs/dbraw/zinc/28/86/46/135288646.db2.gz XTRFKOZBGFOOFT-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]CCC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000262314291 135291969 /nfs/dbraw/zinc/29/19/69/135291969.db2.gz DEDYXMKZSQMKHG-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP COCC[N@@H+]1CCC[C@@H]1CNC1=[NH+]CCCN1 ZINC000262311393 135292289 /nfs/dbraw/zinc/29/22/89/135292289.db2.gz CWTKGECIGLHXFC-LLVKDONJSA-N 2 0 240.351 0.036 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262321670 135292922 /nfs/dbraw/zinc/29/29/22/135292922.db2.gz FGSYRPWUKLAPDE-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000262332796 135293742 /nfs/dbraw/zinc/29/37/42/135293742.db2.gz GWAWCYBVEZWQCC-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+][C@@H]1CN(C(=O)C2C[NH2+]C2)C[C@H]1c1ccccc1 ZINC000262336235 135293993 /nfs/dbraw/zinc/29/39/93/135293993.db2.gz HHLZCFDOXYWILS-QWHCGFSZSA-N 2 0 245.326 0.159 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CCC[NH2+]C1 ZINC000262411156 135295425 /nfs/dbraw/zinc/29/54/25/135295425.db2.gz DMTNBIUWWSTEAJ-SNVBAGLBSA-N 2 0 227.352 0.429 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342619119 135295829 /nfs/dbraw/zinc/29/58/29/135295829.db2.gz MRIDPNDJVZHUGN-ZDUSSCGKSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH2+]CCC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000262425454 135295839 /nfs/dbraw/zinc/29/58/39/135295839.db2.gz SEUSGPBVMMTBFA-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262428013 135296208 /nfs/dbraw/zinc/29/62/08/135296208.db2.gz IKKKBHXJSLOECM-WOPDTQHZSA-N 2 0 237.347 0.481 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262425479 135296341 /nfs/dbraw/zinc/29/63/41/135296341.db2.gz SFGJHJPUQLUNEX-MFKMUULPSA-N 2 0 247.342 0.584 20 0 BCADRP O=C([C@H]1CCCC[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262428007 135296367 /nfs/dbraw/zinc/29/63/67/135296367.db2.gz IKKKBHXJSLOECM-GRYCIOLGSA-N 2 0 237.347 0.481 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000262431448 135297133 /nfs/dbraw/zinc/29/71/33/135297133.db2.gz FFHIUMJBRORVLB-PWSUYJOCSA-N 2 0 235.331 0.801 20 0 BCADRP CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)C[NH3+])CC1 ZINC000262434508 135297212 /nfs/dbraw/zinc/29/72/12/135297212.db2.gz UEWABTRSYAXSSC-NSHDSACASA-N 2 0 241.379 0.818 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C[NH3+])[C@@H](C)C1 ZINC000262375937 135297510 /nfs/dbraw/zinc/29/75/10/135297510.db2.gz MIGYNGXEIVTMSB-SRVKXCTJSA-N 2 0 241.379 0.770 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C[NH3+])[C@H](C)C1 ZINC000262375939 135297540 /nfs/dbraw/zinc/29/75/40/135297540.db2.gz MIGYNGXEIVTMSB-TUAOUCFPSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000262384004 135298610 /nfs/dbraw/zinc/29/86/10/135298610.db2.gz NGBPQSCLAKEBHU-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)C1C[NH2+]C1 ZINC000262394621 135298668 /nfs/dbraw/zinc/29/86/68/135298668.db2.gz ORDOJGKIWLQIOE-BXKDBHETSA-N 2 0 239.363 0.298 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000262391691 135299009 /nfs/dbraw/zinc/29/90/09/135299009.db2.gz PPQZONDZGOHXDV-BXUZGUMPSA-N 2 0 249.358 0.975 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)NCC[NH+](C)C)CC[N@@H+]1C ZINC000342637654 135299084 /nfs/dbraw/zinc/29/90/84/135299084.db2.gz BQOJZUOKZTZBHW-GHMZBOCLSA-N 2 0 242.367 0.330 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000262451678 135300384 /nfs/dbraw/zinc/30/03/84/135300384.db2.gz WAGGJXMEOHBUOW-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)C[NH3+])[NH+]1CCC(C)CC1 ZINC000262450240 135300689 /nfs/dbraw/zinc/30/06/89/135300689.db2.gz VUWOFWMCVLHIBO-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H](CC(=O)NC(C)(C)C[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000262510797 135303211 /nfs/dbraw/zinc/30/32/11/135303211.db2.gz NQLHHLDKNANCQC-GHMZBOCLSA-N 2 0 241.379 0.866 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000262527344 135304229 /nfs/dbraw/zinc/30/42/29/135304229.db2.gz BDYSXLYGIBSWDA-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H](C(=O)N[C@@H](C)C[NH3+])[NH+]1CCCCCC1 ZINC000262533772 135304573 /nfs/dbraw/zinc/30/45/73/135304573.db2.gz OVEPDLRWEJJSSW-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C[NH2+]CC1CC1 ZINC000262579245 135306038 /nfs/dbraw/zinc/30/60/38/135306038.db2.gz MPJWKDIKELQXOE-UHFFFAOYSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@]1(CNC(=O)C[NH2+]CC2CC2)CCC[NH2+]C1 ZINC000342700333 135306649 /nfs/dbraw/zinc/30/66/49/135306649.db2.gz BETPVFLULNQWSN-CYBMUJFWSA-N 2 0 239.363 0.492 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262591321 135306941 /nfs/dbraw/zinc/30/69/41/135306941.db2.gz TXSWSACESAVJGX-ZJUUUORDSA-N 2 0 229.368 0.803 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000262586421 135307277 /nfs/dbraw/zinc/30/72/77/135307277.db2.gz SOVFRBKNRGWGGD-PWSUYJOCSA-N 2 0 239.363 0.524 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000262611960 135308608 /nfs/dbraw/zinc/30/86/08/135308608.db2.gz FBHBDHOBOYIPFV-NAKRPEOUSA-N 2 0 227.352 0.603 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000262620288 135308628 /nfs/dbraw/zinc/30/86/28/135308628.db2.gz IVUPPBHSYMKQKI-VXGBXAGGSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C[NH2+]CC1CC1 ZINC000262615218 135308980 /nfs/dbraw/zinc/30/89/80/135308980.db2.gz XXGPMIYWPZKLGF-GFCCVEGCSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C[C@H](C)[NH2+]1 ZINC000342751266 135311571 /nfs/dbraw/zinc/31/15/71/135311571.db2.gz NNYDTAWPWJKOGC-WRWGMCAJSA-N 2 0 239.363 0.583 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000342711492 135313730 /nfs/dbraw/zinc/31/37/30/135313730.db2.gz LXYCRBULAPQKQN-MNOVXSKESA-N 2 0 227.352 0.298 20 0 BCADRP C[C@]1(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000342712573 135314014 /nfs/dbraw/zinc/31/40/14/135314014.db2.gz AAMOLERYDWHQPE-LOWVWBTDSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000262710838 135314622 /nfs/dbraw/zinc/31/46/22/135314622.db2.gz QHMOIPPRBLICND-LLVKDONJSA-N 2 0 237.347 0.422 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000342722493 135315085 /nfs/dbraw/zinc/31/50/85/135315085.db2.gz TWASYOTXBRKRPT-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C[NH2+]CC1CC1 ZINC000262737936 135316661 /nfs/dbraw/zinc/31/66/61/135316661.db2.gz GSXSGCKDLYJNPI-PWSUYJOCSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000262839099 135321279 /nfs/dbraw/zinc/32/12/79/135321279.db2.gz WZGWGMVDYXWGLZ-FOGDFJRCSA-N 2 0 227.352 0.761 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000262902638 135323296 /nfs/dbraw/zinc/32/32/96/135323296.db2.gz DSORFYSMCVXKQP-UMNHJUIQSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000342774813 135326998 /nfs/dbraw/zinc/32/69/98/135326998.db2.gz GKEMZZQVCPUREN-IJLUTSLNSA-N 2 0 241.379 0.641 20 0 BCADRP C[C@@H](C(N)=O)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000079492108 135327185 /nfs/dbraw/zinc/32/71/85/135327185.db2.gz VCMNWANZVICRFM-JTQLQIEISA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000263159809 135336553 /nfs/dbraw/zinc/33/65/53/135336553.db2.gz DSORFYSMCVXKQP-HOSYDEDBSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000263197142 135338881 /nfs/dbraw/zinc/33/88/81/135338881.db2.gz IOZMSOZQJQRIOR-GVXVVHGQSA-N 2 0 239.363 0.762 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263221671 135340475 /nfs/dbraw/zinc/34/04/75/135340475.db2.gz LYQGPCPBIBJDIO-YPMHNXCESA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+]CC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000263227959 135341062 /nfs/dbraw/zinc/34/10/62/135341062.db2.gz BGCXGKDJLZAQJE-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263280123 135344268 /nfs/dbraw/zinc/34/42/68/135344268.db2.gz ZWIMNKQIMMRMOR-PWSUYJOCSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C1C[NH2+]C1 ZINC000164474178 135344283 /nfs/dbraw/zinc/34/42/83/135344283.db2.gz PQBYOKNTKILGRZ-MWLCHTKSSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC[NH2+]1 ZINC000263304213 135345243 /nfs/dbraw/zinc/34/52/43/135345243.db2.gz XNVNXIKOQHVCNL-NTZNESFSSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C1([NH3+])CCCCC1 ZINC000334325504 135354160 /nfs/dbraw/zinc/35/41/60/135354160.db2.gz KRGRDCQINLCVKK-MNOVXSKESA-N 2 0 239.363 0.844 20 0 BCADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCC[N@H+](C)C1 ZINC000334340484 135363501 /nfs/dbraw/zinc/36/35/01/135363501.db2.gz HIZPZXJENIVUOS-RYUDHWBXSA-N 2 0 239.363 0.491 20 0 BCADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000334340482 135363854 /nfs/dbraw/zinc/36/38/54/135363854.db2.gz HIZPZXJENIVUOS-NWDGAFQWSA-N 2 0 239.363 0.491 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000334490084 135443974 /nfs/dbraw/zinc/44/39/74/135443974.db2.gz DOPSNHMLKPDMGF-NWDGAFQWSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164068 135516846 /nfs/dbraw/zinc/51/68/46/135516846.db2.gz GOTHRLBHJGBXLL-YEJSDXFRSA-N 2 0 239.363 0.713 20 0 BCADRP O=C(C[C@@H]1CC[NH2+]C1)NCCC[NH+]1CCCC1 ZINC000089741406 135540295 /nfs/dbraw/zinc/54/02/95/135540295.db2.gz WGCBBBJBECDGRC-LBPRGKRZSA-N 2 0 239.363 0.588 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)NCC[NH+]1CCCCC1 ZINC000089747325 135541092 /nfs/dbraw/zinc/54/10/92/135541092.db2.gz ZWDCZRHJYIRJBW-GFCCVEGCSA-N 2 0 239.363 0.588 20 0 BCADRP CN(CC[NH3+])C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000334960113 135850943 /nfs/dbraw/zinc/85/09/43/135850943.db2.gz FCRGDWWNNHOLHT-ONGXEEELSA-N 2 0 213.325 0.311 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000335283422 136001341 /nfs/dbraw/zinc/00/13/41/136001341.db2.gz HLFGVEFSKGJESS-WDEREUQCSA-N 2 0 237.347 0.326 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000335285055 136002185 /nfs/dbraw/zinc/00/21/85/136002185.db2.gz IOVCTQMLLVIIPY-MNOVXSKESA-N 2 0 240.351 0.213 20 0 BCADRP C[C@H]([NH3+])CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000335297392 136006588 /nfs/dbraw/zinc/00/65/88/136006588.db2.gz AEVVHKAOOVIEHB-GXSJLCMTSA-N 2 0 205.305 0.724 20 0 BCADRP CC(C)[C@@H]1CN(C(=O)N[C@H](C)C[NH3+])CC[N@@H+]1C ZINC000335299379 136008159 /nfs/dbraw/zinc/00/81/59/136008159.db2.gz PSTCKMDHBNJSGR-MNOVXSKESA-N 2 0 242.367 0.315 20 0 BCADRP C[NH2+]CC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000335322140 136050053 /nfs/dbraw/zinc/05/00/53/136050053.db2.gz PLJATPDWAURWSG-LLVKDONJSA-N 2 0 225.336 0.054 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C1([NH3+])CCCC1 ZINC000335327681 136052859 /nfs/dbraw/zinc/05/28/59/136052859.db2.gz JRPDIKWXGBPFNA-UWVGGRQHSA-N 2 0 225.336 0.454 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)c1coc(C[NH3+])c1 ZINC000335345313 136065776 /nfs/dbraw/zinc/06/57/76/136065776.db2.gz NXGQTRMRGDMANW-JTQLQIEISA-N 2 0 237.303 0.609 20 0 BCADRP C[C@H]1C[C@H](C(=O)NCCC[NH+](C)C)CC[N@@H+]1C ZINC000348344396 136071625 /nfs/dbraw/zinc/07/16/25/136071625.db2.gz WKRUTQGCZVYABF-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H]1CCN(C(=O)NCC(C)(C)[NH3+])C[C@@H]1C[NH3+] ZINC000335357227 136074798 /nfs/dbraw/zinc/07/47/98/136074798.db2.gz IRRIHLJMHLXDRI-UWVGGRQHSA-N 2 0 242.367 0.350 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCC(C)(C)[NH3+] ZINC000335358558 136074850 /nfs/dbraw/zinc/07/48/50/136074850.db2.gz LUAKFZFGUAKVTJ-NXEZZACHSA-N 2 0 242.367 0.635 20 0 BCADRP CC(C)[C@@H](C(=O)N1CCC([NH3+])CC1)[C@H](C)[NH3+] ZINC000335378578 136086350 /nfs/dbraw/zinc/08/63/50/136086350.db2.gz DIEIEZZMBPHNEH-GXSJLCMTSA-N 2 0 227.352 0.556 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC1CC[NH2+]CC1 ZINC000335378087 136086501 /nfs/dbraw/zinc/08/65/01/136086501.db2.gz CBSXZTJVJZZZCJ-ZYHUDNBSSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)C1CC[NH2+]CC1 ZINC000335396924 136093101 /nfs/dbraw/zinc/09/31/01/136093101.db2.gz ARGLMUSZDAUVKD-CMPLNLGQSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C2(C)C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000335562880 136106565 /nfs/dbraw/zinc/10/65/65/136106565.db2.gz ZNJYGAMVZVBJCL-VHSXEESVSA-N 2 0 237.347 0.337 20 0 BCADRP CC1(C)CN(C(=O)CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000335599725 136114178 /nfs/dbraw/zinc/11/41/78/136114178.db2.gz WLXFCBBFCZOZTF-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000381566318 397755474 /nfs/dbraw/zinc/75/54/74/397755474.db2.gz SQIZFXIZKCUPOT-DTWKUNHWSA-N 2 0 213.325 0.084 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000248858944 397766602 /nfs/dbraw/zinc/76/66/02/397766602.db2.gz LTWUUIMXVBYMTB-GARJFASQSA-N 2 0 239.363 0.855 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@]1(C)CC[NH2+]C1 ZINC000647540543 397782153 /nfs/dbraw/zinc/78/21/53/397782153.db2.gz ZKHWNUUJIBHRTK-SDDRHHMPSA-N 2 0 229.343 0.618 20 0 BCADRP CC(C)([NH3+])CCC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000381543726 397743262 /nfs/dbraw/zinc/74/32/62/397743262.db2.gz JRYPGIUIUJDZPX-SECBINFHSA-N 2 0 213.325 0.357 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000381779073 397831838 /nfs/dbraw/zinc/83/18/38/397831838.db2.gz XPBMGIDSACBORY-GUBZILKMSA-N 2 0 213.325 0.086 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000370768069 397942150 /nfs/dbraw/zinc/94/21/50/397942150.db2.gz XSYMVEFIXRWUAJ-RYUDHWBXSA-N 2 0 239.363 0.811 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC[NH2+]C1 ZINC000062113637 397900025 /nfs/dbraw/zinc/90/00/25/397900025.db2.gz YICSXTPPLUNQRY-WOPDTQHZSA-N 2 0 237.347 0.339 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[N@H+](C)CC ZINC000054133199 397903719 /nfs/dbraw/zinc/90/37/19/397903719.db2.gz SOSFHJFTKIUKQD-NXEZZACHSA-N 2 0 215.341 0.428 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000364780864 397912130 /nfs/dbraw/zinc/91/21/30/397912130.db2.gz XLHSJESBZXWZCT-HBNTYKKESA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)(C)C[N@H+](CCO)CCN1CC[NH2+]CC1 ZINC000647884396 397923994 /nfs/dbraw/zinc/92/39/94/397923994.db2.gz LMGYVEVUFPOXSM-UHFFFAOYSA-N 2 0 243.395 0.232 20 0 BCADRP C[C@H]1C[C@H](NC(=O)CCC(C)(C)[NH3+])CC[NH2+]1 ZINC000648128525 397924461 /nfs/dbraw/zinc/92/44/61/397924461.db2.gz WYYMKWBJZKYCDZ-VHSXEESVSA-N 2 0 227.352 0.761 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000164994424 398001780 /nfs/dbraw/zinc/00/17/80/398001780.db2.gz PYPCRECCRQFSHS-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)[NH+](C)C ZINC000644826836 398046370 /nfs/dbraw/zinc/04/63/70/398046370.db2.gz OEZRWWKBPZMESF-SDDRHHMPSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953139 398010052 /nfs/dbraw/zinc/01/00/52/398010052.db2.gz DJZJXIBPBUQKTM-GXSJLCMTSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@H](C)[NH3+] ZINC000645953098 398010087 /nfs/dbraw/zinc/01/00/87/398010087.db2.gz ANFHBZVGXMIKGG-SCVCMEIPSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953194 398010872 /nfs/dbraw/zinc/01/08/72/398010872.db2.gz HXUDMWLNGLACRR-LLVKDONJSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000648122268 398014568 /nfs/dbraw/zinc/01/45/68/398014568.db2.gz PYAJEWQDNCJSQX-QEYWKRMJSA-N 2 0 211.309 0.110 20 0 BCADRP COC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000414705228 398021247 /nfs/dbraw/zinc/02/12/47/398021247.db2.gz NSCOJXBHMGSBRK-XQQFMLRXSA-N 2 0 242.363 0.722 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000375438020 398023415 /nfs/dbraw/zinc/02/34/15/398023415.db2.gz PQERXPHAHPYBKK-NXEZZACHSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000375438023 398023958 /nfs/dbraw/zinc/02/39/58/398023958.db2.gz PQERXPHAHPYBKK-VHSXEESVSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)(C)[NH2+]CCN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000414764992 398027863 /nfs/dbraw/zinc/02/78/63/398027863.db2.gz FKPMNVKPPHNPJL-NWDGAFQWSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]1CCN(C(=O)NCCC[NH3+])[C@@H](C[NH3+])C1 ZINC000418316865 398033038 /nfs/dbraw/zinc/03/30/38/398033038.db2.gz XJJFGQSTMVGVGI-NXEZZACHSA-N 2 0 228.340 0.104 20 0 BCADRP CC[NH2+]CCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000418320940 398035069 /nfs/dbraw/zinc/03/50/69/398035069.db2.gz XDVOOUHIPHWAGG-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000365049028 397987414 /nfs/dbraw/zinc/98/74/14/397987414.db2.gz RQXWERDHLXSZDF-PWSUYJOCSA-N 2 0 245.342 0.535 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]1O ZINC000323521688 398043986 /nfs/dbraw/zinc/04/39/86/398043986.db2.gz HYGUASYINWKBJZ-HBNTYKKESA-N 2 0 216.325 0.243 20 0 BCADRP CC(C)C[C@@H]([NH3+])CNC[C@H]1CCC[NH2+]C1 ZINC000414853967 398062073 /nfs/dbraw/zinc/06/20/73/398062073.db2.gz LQFJPZVNTOOSKZ-NWDGAFQWSA-N 2 0 213.369 0.949 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC000393048303 398062269 /nfs/dbraw/zinc/06/22/69/398062269.db2.gz DKQYSSFWYWMANP-VXGBXAGGSA-N 2 0 239.363 0.620 20 0 BCADRP CO[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H]1OC ZINC000234847387 398067548 /nfs/dbraw/zinc/06/75/48/398067548.db2.gz SSYPRMDQOYUCMQ-TUAOUCFPSA-N 2 0 228.336 0.332 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000646682928 398082765 /nfs/dbraw/zinc/08/27/65/398082765.db2.gz SUEGEEHMXQMQFQ-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]([NH3+])C(C)C ZINC000418419945 398088112 /nfs/dbraw/zinc/08/81/12/398088112.db2.gz ZVURQQWIYBVYMY-MNOVXSKESA-N 2 0 244.383 0.642 20 0 BCADRP CN(C[C@H](O)C[NH2+]CCC1(O)CCC1)C1CC1 ZINC000397700934 398058443 /nfs/dbraw/zinc/05/84/43/398058443.db2.gz ITUDQDOMJFBTHJ-GFCCVEGCSA-N 2 0 242.363 0.336 20 0 BCADRP c1c[nH]c(C[NH2+][C@@H]2CCc3nc[nH]c3C2)n1 ZINC000309608193 398102288 /nfs/dbraw/zinc/10/22/88/398102288.db2.gz LXZYYSUBYZTIKT-MRVPVSSYSA-N 2 0 217.276 0.780 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236929678 398117710 /nfs/dbraw/zinc/11/77/10/398117710.db2.gz YNMRECXAUZJGNW-UTUOFQBUSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638507909 398109413 /nfs/dbraw/zinc/10/94/13/398109413.db2.gz JJQLWBBYTVTYIS-DCAQKATOSA-N 2 0 237.347 0.385 20 0 BCADRP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000237626937 398112682 /nfs/dbraw/zinc/11/26/82/398112682.db2.gz AHLIZCMHGWHKRJ-LPEHRKFASA-N 2 0 213.325 0.132 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000638567730 398131707 /nfs/dbraw/zinc/13/17/07/398131707.db2.gz QQSJREMALMUZKA-XQQFMLRXSA-N 2 0 247.342 0.943 20 0 BCADRP C[N@H+](CCCO)CC[C@H]1CCC[NH+]1C ZINC000336691310 398132977 /nfs/dbraw/zinc/13/29/77/398132977.db2.gz PTKKXWHBUATZAA-LLVKDONJSA-N 2 0 200.326 0.785 20 0 BCADRP CC(C)NC(=O)CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000128930640 167044533 /nfs/dbraw/zinc/04/45/33/167044533.db2.gz LVOXDRIPWAIJOE-NEPJUHHUSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC[N@H+]1CC=CCC1 ZINC000392893512 487557706 /nfs/dbraw/zinc/55/77/06/487557706.db2.gz BITJGPDLNGACPC-UHFFFAOYSA-N 2 0 225.336 0.363 20 0 BCADRP C[C@]1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CCCO1 ZINC000094801855 487558617 /nfs/dbraw/zinc/55/86/17/487558617.db2.gz IAIQWBCLZXZBGI-QWHCGFSZSA-N 2 0 242.363 0.602 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000086853421 487566694 /nfs/dbraw/zinc/56/66/94/487566694.db2.gz PREPKLZGVZUNMT-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP [NH3+]C1CCC(NC(=O)CC2([NH3+])CCC2)CC1 ZINC000086853532 487567750 /nfs/dbraw/zinc/56/77/50/487567750.db2.gz ULEFOHWPGMGESG-UHFFFAOYSA-N 2 0 225.336 0.644 20 0 BCADRP C[C@H]([NH3+])CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000082241800 487580388 /nfs/dbraw/zinc/58/03/88/487580388.db2.gz GQMGFBSQPFHNER-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CC(C)(C)[NH3+] ZINC000393768866 487580656 /nfs/dbraw/zinc/58/06/56/487580656.db2.gz DJEIIWQQMMDNBJ-DTWKUNHWSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000082241801 487580683 /nfs/dbraw/zinc/58/06/83/487580683.db2.gz GQMGFBSQPFHNER-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NC(C)(C)C[NH3+])C1 ZINC000082244831 487581621 /nfs/dbraw/zinc/58/16/21/487581621.db2.gz HCNBXPJIMPOUOB-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000037484925 487585434 /nfs/dbraw/zinc/58/54/34/487585434.db2.gz NNHSCHVNIKOZAT-SNVBAGLBSA-N 2 0 213.325 0.052 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](O)C(F)F)C1 ZINC000300354837 487591157 /nfs/dbraw/zinc/59/11/57/487591157.db2.gz KCYBVTJIHAVQGW-CSMHCCOUSA-N 2 0 208.252 0.472 20 0 BCADRP CCCN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000662413627 487602804 /nfs/dbraw/zinc/60/28/04/487602804.db2.gz OVKISOPCDVSYRF-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000655245845 487603133 /nfs/dbraw/zinc/60/31/33/487603133.db2.gz YQXBUKCXLZQUFE-GARJFASQSA-N 2 0 227.352 0.393 20 0 BCADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cn[nH]c1 ZINC000674711144 487607832 /nfs/dbraw/zinc/60/78/32/487607832.db2.gz QNTNHDUPCDJZPN-GFCCVEGCSA-N 2 0 240.351 0.856 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662263403 409555972 /nfs/dbraw/zinc/55/59/72/409555972.db2.gz ARNAOUXCCJMYKQ-WOPDTQHZSA-N 3 0 239.363 0.177 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000662263835 409560844 /nfs/dbraw/zinc/56/08/44/409560844.db2.gz OUBKGUCVFQWMBJ-QWHCGFSZSA-N 2 0 241.379 0.248 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@@H]1CCCN(C)C1=O ZINC000662266057 409563385 /nfs/dbraw/zinc/56/33/85/409563385.db2.gz WHDRPSMDERZXOK-OUAUKWLOSA-N 2 0 225.336 0.276 20 0 BCADRP COC[C@@H](C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)OC ZINC000662266266 409563548 /nfs/dbraw/zinc/56/35/48/409563548.db2.gz LAFZUYMLVBAFOA-VXGBXAGGSA-N 2 0 228.336 0.333 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@H]1CCCN(C)C1=O ZINC000662266056 409563976 /nfs/dbraw/zinc/56/39/76/409563976.db2.gz WHDRPSMDERZXOK-MXWKQRLJSA-N 2 0 225.336 0.276 20 0 BCADRP CCCN(C[C@@H]1C[NH2+]CCO1)[C@H]1CC[NH2+]C1 ZINC000662244098 409535975 /nfs/dbraw/zinc/53/59/75/409535975.db2.gz BQGPSPBLSZFVLQ-RYUDHWBXSA-N 2 0 227.352 0.049 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2CNCCO2)CC1 ZINC000662245229 409537689 /nfs/dbraw/zinc/53/76/89/409537689.db2.gz JFOYTLAAOFQPPK-PWSUYJOCSA-N 2 0 227.352 0.034 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000662266890 409569387 /nfs/dbraw/zinc/56/93/87/409569387.db2.gz QBOMEPHDPYRKOA-DCAQKATOSA-N 2 0 225.336 0.276 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1CN(C[C@H]1C[NH2+]CCO1)C2 ZINC000662286957 409618987 /nfs/dbraw/zinc/61/89/87/409618987.db2.gz UYJIAKUCZDELFN-XQQFMLRXSA-N 2 0 239.363 0.036 20 0 BCADRP OCC1([NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)CCCC1 ZINC000662287105 409621888 /nfs/dbraw/zinc/62/18/88/409621888.db2.gz WAJXDQBDKSCSFI-NSHDSACASA-N 2 0 240.347 0.402 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000662318221 409636682 /nfs/dbraw/zinc/63/66/82/409636682.db2.gz XVCQSPAMKIOFDK-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@H]1CN(C[C@H]2C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000662270761 409572694 /nfs/dbraw/zinc/57/26/94/409572694.db2.gz MWJJVOMOZOFUFA-UTUOFQBUSA-N 2 0 227.352 0.034 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@](C)(C[NH3+])C1)OC ZINC000662273186 409580621 /nfs/dbraw/zinc/58/06/21/409580621.db2.gz MIMXXAMAFWSIRL-WDEREUQCSA-N 2 0 216.325 0.319 20 0 BCADRP COC[C@@H](C[N@@H+]1CC[C@](C)(C[NH3+])C1)OC ZINC000662273183 409580878 /nfs/dbraw/zinc/58/08/78/409580878.db2.gz MIMXXAMAFWSIRL-GHMZBOCLSA-N 2 0 216.325 0.319 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)c1 ZINC000662393784 409695213 /nfs/dbraw/zinc/69/52/13/409695213.db2.gz XKSNATWXSUOPPD-MGCOHNPYSA-N 2 0 219.288 0.821 20 0 BCADRP [NH3+]C1(CC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000662393692 409695308 /nfs/dbraw/zinc/69/53/08/409695308.db2.gz VJGZXIIJFUGBCN-UHFFFAOYSA-N 2 0 225.336 0.646 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000662394917 409696516 /nfs/dbraw/zinc/69/65/16/409696516.db2.gz GDNGOVJJRWWMBC-RYUDHWBXSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@H]1CCC[NH2+]C1 ZINC000662403133 409699277 /nfs/dbraw/zinc/69/92/77/409699277.db2.gz JFTFQYDGKPXLGS-YFKTTZPYSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000662421534 409705287 /nfs/dbraw/zinc/70/52/87/409705287.db2.gz FGTMOLGAUNKKHC-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662423879 409710104 /nfs/dbraw/zinc/71/01/04/409710104.db2.gz OXOGMZUIBLTNFL-LLVKDONJSA-N 2 0 239.363 0.761 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000662383483 409687468 /nfs/dbraw/zinc/68/74/68/409687468.db2.gz LKSWXTCAWMZALI-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000662515534 409743192 /nfs/dbraw/zinc/74/31/92/409743192.db2.gz VUFJITSQAUBIQQ-HBNTYKKESA-N 2 0 225.336 0.147 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000162439331 487610962 /nfs/dbraw/zinc/61/09/62/487610962.db2.gz HDWTZOFBNGIGHE-VWYCJHECSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](C)C[NH3+] ZINC000662549628 409752197 /nfs/dbraw/zinc/75/21/97/409752197.db2.gz SVOQJOIZTCHUQA-QWRGUYRKSA-N 2 0 229.368 0.709 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000662552648 409755609 /nfs/dbraw/zinc/75/56/09/409755609.db2.gz CROYORMPTFMKIS-CYBMUJFWSA-N 2 0 247.342 0.904 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000662556572 409757984 /nfs/dbraw/zinc/75/79/84/409757984.db2.gz ASNORQOKJNMLHU-GUBZILKMSA-N 2 0 213.325 0.099 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C[C@H]1CC[NH2+]C1 ZINC000662602258 409776850 /nfs/dbraw/zinc/77/68/50/409776850.db2.gz NVOUIPKMKBZDOD-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653126041 409835046 /nfs/dbraw/zinc/83/50/46/409835046.db2.gz HVYZIDYWNFBQDH-FBIMIBRVSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653126040 409835864 /nfs/dbraw/zinc/83/58/64/409835864.db2.gz HVYZIDYWNFBQDH-DVVUODLYSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000653125502 409837237 /nfs/dbraw/zinc/83/72/37/409837237.db2.gz ATTIWVJXZCLQJC-GARJFASQSA-N 2 0 223.320 0.077 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000662688893 409837268 /nfs/dbraw/zinc/83/72/68/409837268.db2.gz QQQJAWHIBMDOLP-DCAQKATOSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CC[NH3+] ZINC000662691721 409838221 /nfs/dbraw/zinc/83/82/21/409838221.db2.gz AAZMCITUTPQCFE-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000653127528 409838663 /nfs/dbraw/zinc/83/86/63/409838663.db2.gz HHPNARPUJADYMU-QWRGUYRKSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CC[NH3+] ZINC000662691722 409838683 /nfs/dbraw/zinc/83/86/83/409838683.db2.gz AAZMCITUTPQCFE-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]CC2)[C@H](C)C[NH2+]1 ZINC000653128576 409840917 /nfs/dbraw/zinc/84/09/17/409840917.db2.gz LWJXDLNDDQGEQU-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000653132628 409849138 /nfs/dbraw/zinc/84/91/38/409849138.db2.gz RIEYFQLODNTTOM-SDDRHHMPSA-N 2 0 239.363 0.762 20 0 BCADRP CC1(NC(=O)[C@H]2CCC[NH2+]CC2)CC[NH2+]CC1 ZINC000653134482 409852923 /nfs/dbraw/zinc/85/29/23/409852923.db2.gz BMHOZZUIQXVKTC-NSHDSACASA-N 2 0 239.363 0.634 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662623659 409795271 /nfs/dbraw/zinc/79/52/71/409795271.db2.gz ZOGIWTWRAARMEV-MNOVXSKESA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662623644 409795627 /nfs/dbraw/zinc/79/56/27/409795627.db2.gz ZOAARWSOHPGVHG-MNOVXSKESA-N 2 0 241.379 0.959 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653105086 409798189 /nfs/dbraw/zinc/79/81/89/409798189.db2.gz FNVKIMLVVBRVLO-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653105174 409799062 /nfs/dbraw/zinc/79/90/62/409799062.db2.gz JOMLKHRKXJFQAI-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662629586 409800969 /nfs/dbraw/zinc/80/09/69/409800969.db2.gz AGATUDNMXPKOAY-RKDXNWHRSA-N 2 0 201.314 0.038 20 0 BCADRP COCC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000070543328 409802718 /nfs/dbraw/zinc/80/27/18/409802718.db2.gz KVXOOLBGQZFSIN-GFCCVEGCSA-N 2 0 212.337 0.954 20 0 BCADRP C[C@@H](CCNC(=O)[C@@H]([NH3+])C1CCC1)[NH+](C)C ZINC000662632590 409803774 /nfs/dbraw/zinc/80/37/74/409803774.db2.gz FMZDAKIKQMDKLJ-ONGXEEELSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]1[NH2+]CC1(C)C)[NH+](C)C ZINC000662636506 409807367 /nfs/dbraw/zinc/80/73/67/409807367.db2.gz YVTXKVMOHIVNMR-ZJUUUORDSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@@H](CCNC(=O)[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000662633571 409807510 /nfs/dbraw/zinc/80/75/10/409807510.db2.gz MPHOOFVAOWEVKY-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H](CCNC(=O)CC[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000662634514 409807666 /nfs/dbraw/zinc/80/76/66/409807666.db2.gz SDMIKJKMZKVEEH-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[NH2+]1 ZINC000653136405 409856142 /nfs/dbraw/zinc/85/61/42/409856142.db2.gz OJMWGQQIXMTXSC-NOOOWODRSA-N 2 0 239.363 0.761 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653110454 409815136 /nfs/dbraw/zinc/81/51/36/409815136.db2.gz JCXDKWQAFURGDC-NEPJUHHUSA-N 2 0 239.363 0.444 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000662782216 409911146 /nfs/dbraw/zinc/91/11/46/409911146.db2.gz CNWIANHTQRPGRJ-GMTAPVOTSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653139378 409860593 /nfs/dbraw/zinc/86/05/93/409860593.db2.gz BYEJQEUCKCYFNU-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000158517605 487611371 /nfs/dbraw/zinc/61/13/71/487611371.db2.gz DEIQQHVNLGNNHL-VIFPVBQESA-N 2 0 211.309 0.208 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000662711924 409864786 /nfs/dbraw/zinc/86/47/86/409864786.db2.gz PJMJLQAMSKIAOE-MGCOHNPYSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653143821 409866796 /nfs/dbraw/zinc/86/67/96/409866796.db2.gz CWCRFLAPEFWIDL-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653145044 409866870 /nfs/dbraw/zinc/86/68/70/409866870.db2.gz WISSDCHKMHPAPS-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653144270 409867717 /nfs/dbraw/zinc/86/77/17/409867717.db2.gz MBOFTMUHVQVMKZ-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662717710 409868448 /nfs/dbraw/zinc/86/84/48/409868448.db2.gz CNXKHGIOAJOJNB-QRVCZOOMSA-N 2 0 237.347 0.243 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000662720003 409868530 /nfs/dbraw/zinc/86/85/30/409868530.db2.gz NXJHRDLCKMTRTP-IJLUTSLNSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@H]1CCC[NH2+]CC1)C(F)F ZINC000653144930 409869019 /nfs/dbraw/zinc/86/90/19/409869019.db2.gz MNPNVUCKQFJFNF-IUCAKERBSA-N 2 0 249.305 0.475 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)[C@@H]1CCC[NH2+]CC1)C(F)F ZINC000653144931 409869047 /nfs/dbraw/zinc/86/90/47/409869047.db2.gz MNPNVUCKQFJFNF-RKDXNWHRSA-N 2 0 249.305 0.475 20 0 BCADRP [NH3+]CC1(C(=O)NCC23CC(C2)C[NH2+]3)CCCC1 ZINC000662718681 409869066 /nfs/dbraw/zinc/86/90/66/409869066.db2.gz NMUKHJSUPNCEST-UHFFFAOYSA-N 2 0 237.347 0.374 20 0 BCADRP C[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@H](C)[NH3+] ZINC000653144778 409869413 /nfs/dbraw/zinc/86/94/13/409869413.db2.gz CNQVLIOSTJZUIU-QCLAVDOMSA-N 2 0 213.325 0.356 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NCC23CC(C2)C[NH2+]3)o1 ZINC000662717558 409869600 /nfs/dbraw/zinc/86/96/00/409869600.db2.gz ADMJPFWWMHHQQH-UHFFFAOYSA-N 2 0 235.287 0.220 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662765316 409888214 /nfs/dbraw/zinc/88/82/14/409888214.db2.gz YAJVNNKLMLVFMQ-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H](CCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)[NH+](C)C ZINC000662859125 409957719 /nfs/dbraw/zinc/95/77/19/409957719.db2.gz KCRSXNATCXDHRP-WOPDTQHZSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[N@@H+](C)C[C@@H](O)CN(C[C@H](C)O)C1CC1 ZINC000660925707 409974056 /nfs/dbraw/zinc/97/40/56/409974056.db2.gz FHVCEAUNOLJWIB-WCQYABFASA-N 2 0 244.379 0.533 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000662952065 409986241 /nfs/dbraw/zinc/98/62/41/409986241.db2.gz CDFBATUNDVLNDJ-SECBINFHSA-N 2 0 221.304 0.483 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063124237 409986252 /nfs/dbraw/zinc/98/62/52/409986252.db2.gz YFUJCYSYWXWLRV-JTQLQIEISA-N 2 0 227.352 0.524 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000662952829 409986677 /nfs/dbraw/zinc/98/66/77/409986677.db2.gz HWIQBALCQWFZRO-QCNOEVLYSA-N 2 0 239.363 0.631 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662835014 409947014 /nfs/dbraw/zinc/94/70/14/409947014.db2.gz KAYXFYLKSYZDIH-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP CN(CCN1CC[NH2+]CC1)Cc1ccno1 ZINC000070800534 410017743 /nfs/dbraw/zinc/01/77/43/410017743.db2.gz JUJDQCXDWHIWGO-UHFFFAOYSA-N 2 0 224.308 0.012 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000662969197 409998082 /nfs/dbraw/zinc/99/80/82/409998082.db2.gz YLVJPSCLUGVIFM-UTLUCORTSA-N 2 0 213.325 0.099 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)C[NH2+]C ZINC000662969188 409998987 /nfs/dbraw/zinc/99/89/87/409998987.db2.gz YGVAECMUTDYESM-NSHDSACASA-N 2 0 249.358 0.786 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000662968449 409999358 /nfs/dbraw/zinc/99/93/58/409999358.db2.gz HWQQVSQMNLFYIU-GXFFZTMASA-N 2 0 247.342 0.598 20 0 BCADRP COC[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000234732291 410083310 /nfs/dbraw/zinc/08/33/10/410083310.db2.gz TZICYMQKDWIJCY-LLVKDONJSA-N 2 0 216.325 0.320 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]CC2)C[C@H]1[NH3+] ZINC000653162014 410097261 /nfs/dbraw/zinc/09/72/61/410097261.db2.gz JNCSCAOHRSSILR-GMTAPVOTSA-N 2 0 225.336 0.182 20 0 BCADRP CN(C(=O)[C@@H]1CCC[NH2+]CC1)[C@H](C[NH3+])C1CC1 ZINC000653162326 410099984 /nfs/dbraw/zinc/09/99/84/410099984.db2.gz AISOIDKASRETJG-VXGBXAGGSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)[C@H](C)C[NH3+] ZINC000653175822 410151624 /nfs/dbraw/zinc/15/16/24/410151624.db2.gz BXTGHTSTXLQWBU-LLVKDONJSA-N 2 0 229.368 0.675 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)C1([NH3+])CC1 ZINC000653175806 410151669 /nfs/dbraw/zinc/15/16/69/410151669.db2.gz BOKNYFNUKKMSIU-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)C[C@@H](C)[NH3+] ZINC000653175785 410152029 /nfs/dbraw/zinc/15/20/29/410152029.db2.gz ADJWPYHVGGILAC-LLVKDONJSA-N 2 0 229.368 0.818 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653165552 410131185 /nfs/dbraw/zinc/13/11/85/410131185.db2.gz SMAGEPOQAUIADU-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[NH2+]1)C2 ZINC000653198128 410159953 /nfs/dbraw/zinc/15/99/53/410159953.db2.gz KENAWDDSXLLDFM-LOWVWBTDSA-N 2 0 237.347 0.326 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000653210602 410165014 /nfs/dbraw/zinc/16/50/14/410165014.db2.gz BWJHZRMZTBIMTO-CYBMUJFWSA-N 2 0 247.342 0.774 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)C1([NH3+])CC1 ZINC000653211012 410165268 /nfs/dbraw/zinc/16/52/68/410165268.db2.gz OCGSRPKVIVQSJM-UHFFFAOYSA-N 2 0 233.315 0.514 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)CC[NH3+] ZINC000653210677 410165487 /nfs/dbraw/zinc/16/54/87/410165487.db2.gz FNYUYNYBJWXDAO-UHFFFAOYSA-N 2 0 221.304 0.371 20 0 BCADRP [NH3+]CC1(CCNC(=O)CC2(C[NH3+])CC2)CC1 ZINC000653222742 410171164 /nfs/dbraw/zinc/17/11/64/410171164.db2.gz NPEHXYHJBXLFRS-UHFFFAOYSA-N 2 0 225.336 0.361 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653221406 410171251 /nfs/dbraw/zinc/17/12/51/410171251.db2.gz VWTIUGQCDSMGCO-QWRGUYRKSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]CC1(CCNC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000653222603 410171545 /nfs/dbraw/zinc/17/15/45/410171545.db2.gz ILCVQTKLIXPMLP-WDEREUQCSA-N 2 0 239.363 0.749 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653221407 410171665 /nfs/dbraw/zinc/17/16/65/410171665.db2.gz VWTIUGQCDSMGCO-WDEREUQCSA-N 2 0 239.363 0.620 20 0 BCADRP C[NH2+]CC(=O)NCc1ccc(C[NH3+])cc1F ZINC000653225724 410173870 /nfs/dbraw/zinc/17/38/70/410173870.db2.gz BBZISFGUENTUQZ-UHFFFAOYSA-N 2 0 225.267 0.120 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000653233101 410174990 /nfs/dbraw/zinc/17/49/90/410174990.db2.gz QFCBTKCROWXMDX-SRVKXCTJSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]1CCCN(C(=O)C[NH2+]C2CC2)[C@H]1CC[NH3+] ZINC000653239807 410181049 /nfs/dbraw/zinc/18/10/49/410181049.db2.gz FQEFGTVOLYQRKT-JQWIXIFHSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000653240096 410181095 /nfs/dbraw/zinc/18/10/95/410181095.db2.gz JWCVZVQRSFTVBU-HBNTYKKESA-N 2 0 227.352 0.700 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+])[NH+](C)C ZINC000653240277 410181792 /nfs/dbraw/zinc/18/17/92/410181792.db2.gz MBBWBWIXSZAGKF-SDDRHHMPSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H]1CC[NH3+] ZINC000653243833 410183078 /nfs/dbraw/zinc/18/30/78/410183078.db2.gz OWQQGHVNZZFQCT-WISYIIOYSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1CC[NH3+] ZINC000653243835 410183467 /nfs/dbraw/zinc/18/34/67/410183467.db2.gz OWQQGHVNZZFQCT-YFKTTZPYSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655415556 410219435 /nfs/dbraw/zinc/21/94/35/410219435.db2.gz WZAUKADPTNBRKS-NQBHXWOUSA-N 2 0 237.347 0.196 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@H](C)C[NH3+] ZINC000309115809 410253421 /nfs/dbraw/zinc/25/34/21/410253421.db2.gz LKWPWKHZMWSYOK-MRVPVSSYSA-N 2 0 201.314 0.215 20 0 BCADRP CC[C@@H]1C[N@H+](CCn2cncn2)CC[C@@H]1[NH3+] ZINC000309170557 410268730 /nfs/dbraw/zinc/26/87/30/410268730.db2.gz AFUMDKIOMGVQIX-MNOVXSKESA-N 2 0 223.324 0.337 20 0 BCADRP C(N1CC[C@]2(CC[NH2+]C2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663495542 410274496 /nfs/dbraw/zinc/27/44/96/410274496.db2.gz YUGZNABHPMWYEJ-AGIUHOORSA-N 2 0 221.348 0.281 20 0 BCADRP C[C@]1(CNCC23CC(C2)C[NH2+]3)CC[NH2+]C1 ZINC000663501303 410278003 /nfs/dbraw/zinc/27/80/03/410278003.db2.gz UZDVWIDVDXBDDH-CXQJBGSLSA-N 2 0 209.337 0.328 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655416651 410220557 /nfs/dbraw/zinc/22/05/57/410220557.db2.gz ZSQZBGPMLCUJFG-ZYHUDNBSSA-N 2 0 225.336 0.102 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655415962 410220757 /nfs/dbraw/zinc/22/07/57/410220757.db2.gz UXVRPIYZCVQGEY-SCVCMEIPSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@H]1C[C@]12CCC[NH2+]C2)C1CC1 ZINC000655417557 410223474 /nfs/dbraw/zinc/22/34/74/410223474.db2.gz KLDUWLPQLSMXOT-MDZLAQPJSA-N 2 0 237.347 0.230 20 0 BCADRP C[C@H]1CCCN(C(=O)CC[NH2+]C2CC2)[C@H]1C[NH3+] ZINC000655417536 410223555 /nfs/dbraw/zinc/22/35/55/410223555.db2.gz JUWLCWGBYVXZAC-JQWIXIFHSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655417355 410224257 /nfs/dbraw/zinc/22/42/57/410224257.db2.gz IGUOUNNZPCBQNJ-DMDPSCGWSA-N 2 0 239.363 0.476 20 0 BCADRP Cn1cc(C[NH2+]CCC2(C[NH3+])CC2)cn1 ZINC000650711914 410341934 /nfs/dbraw/zinc/34/19/34/410341934.db2.gz IWLTWKUJPIQBJJ-UHFFFAOYSA-N 2 0 208.309 0.639 20 0 BCADRP CN(C)c1ncc(C[NH2+]CCC2(C[NH3+])CC2)cn1 ZINC000650712719 410345371 /nfs/dbraw/zinc/34/53/71/410345371.db2.gz RDJVWAKSRSRCCT-UHFFFAOYSA-N 2 0 249.362 0.761 20 0 BCADRP [NH3+]CC1(CC[NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000650714220 410347166 /nfs/dbraw/zinc/34/71/66/410347166.db2.gz WGRFIJWWRJWIQU-NSHDSACASA-N 3 0 211.353 0.847 20 0 BCADRP CCO[C@@H]1C[N@H+](C[C@@H]2C[C@@H]2C)C[C@H]1C[NH3+] ZINC000650714655 410348510 /nfs/dbraw/zinc/34/85/10/410348510.db2.gz WTVMWMWIXYPZMX-NNYUYHANSA-N 2 0 212.337 0.938 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CCC1 ZINC000655452046 410291113 /nfs/dbraw/zinc/29/11/13/410291113.db2.gz AIWRWSLGSNBTCR-PWSUYJOCSA-N 2 0 237.347 0.374 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000653267990 410318777 /nfs/dbraw/zinc/31/87/77/410318777.db2.gz ZBCHFGBVNONAOA-JQWIXIFHSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650745297 410382627 /nfs/dbraw/zinc/38/26/27/410382627.db2.gz DAJBEQIIALVSEO-QWRGUYRKSA-N 2 0 211.353 0.655 20 0 BCADRP C[C@H]1CCNC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650748505 410389886 /nfs/dbraw/zinc/38/98/86/410389886.db2.gz VLNYSNSIZBHPCM-QWRGUYRKSA-N 2 0 211.353 0.703 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650764299 410414419 /nfs/dbraw/zinc/41/44/19/410414419.db2.gz VLDVBSSKJDTIRM-DGCLKSJQSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000381348304 410457083 /nfs/dbraw/zinc/45/70/83/410457083.db2.gz ZTJHCJWWLPLFCQ-WCBMZHEXSA-N 2 0 211.309 0.077 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000309222514 410459660 /nfs/dbraw/zinc/45/96/60/410459660.db2.gz YOVULUROVXCTKM-JGVFFNPUSA-N 2 0 235.278 0.179 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H](C)[NH3+])C1 ZINC000389400394 487617112 /nfs/dbraw/zinc/61/71/12/487617112.db2.gz PLLCKDGOBGVMLV-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CC1(C)COC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000313020703 410574870 /nfs/dbraw/zinc/57/48/70/410574870.db2.gz LTBUMBGSGCEJIF-NEPJUHHUSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCCC1CC[NH2+]CC1 ZINC000653272442 410539265 /nfs/dbraw/zinc/53/92/65/410539265.db2.gz NQAPEJXRGDOGJX-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000653272588 410539632 /nfs/dbraw/zinc/53/96/32/410539632.db2.gz VCUUTJNELHGFMD-ZYHUDNBSSA-N 2 0 239.363 0.490 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000653272267 410540315 /nfs/dbraw/zinc/54/03/15/410540315.db2.gz GDDYYJPSMGKTKO-SNVBAGLBSA-N 2 0 213.325 0.230 20 0 BCADRP CN(CC[NH+]1CCCCC1)C(=O)C1(C)C[NH2+]C1 ZINC000653274310 410553625 /nfs/dbraw/zinc/55/36/25/410553625.db2.gz CNSHLASGXYSSGH-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@@H](C(=O)N(C)CC[NH+]1CCCCC1)[C@H](C)[NH3+] ZINC000653274634 410554668 /nfs/dbraw/zinc/55/46/68/410554668.db2.gz LEYJVRGTTUISLI-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000653274635 410555072 /nfs/dbraw/zinc/55/50/72/410555072.db2.gz LEYJVRGTTUISLI-NWDGAFQWSA-N 2 0 241.379 0.914 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000655465850 410666250 /nfs/dbraw/zinc/66/62/50/410666250.db2.gz PMEDLRWJLKXUIG-KOLCDFICSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000309256849 410668117 /nfs/dbraw/zinc/66/81/17/410668117.db2.gz GRSAQAPQAGDQAG-NXEZZACHSA-N 2 0 213.325 0.086 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185089168 169764287 /nfs/dbraw/zinc/76/42/87/169764287.db2.gz RMXFKBHAUMKELA-TUAOUCFPSA-N 2 0 239.363 0.524 20 0 BCADRP CC(C)([NH3+])CCC(=O)NCC[NH2+]C1CC1 ZINC000309243295 410633979 /nfs/dbraw/zinc/63/39/79/410633979.db2.gz BJPYMGJCGMLSCI-UHFFFAOYSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655463974 410651224 /nfs/dbraw/zinc/65/12/24/410651224.db2.gz BTTTZPQZJWDMMR-MDZLAQPJSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCC(C[NH3+])CC1 ZINC000309278142 410700993 /nfs/dbraw/zinc/70/09/93/410700993.db2.gz MRAJYVCPXUTKRI-UHFFFAOYSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@@H]1CN(C(=O)CC[NH2+]C2CC2)C[C@@]1(C)C[NH3+] ZINC000655477977 410710264 /nfs/dbraw/zinc/71/02/64/410710264.db2.gz LVBNELVCIWAYPL-ZWNOBZJWSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000309290289 410712361 /nfs/dbraw/zinc/71/23/61/410712361.db2.gz PWNCBXKMZGFJEJ-RKDXNWHRSA-N 2 0 213.325 0.500 20 0 BCADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCOC1 ZINC000665235367 410726264 /nfs/dbraw/zinc/72/62/64/410726264.db2.gz VAIIPUAZRAPBOV-UMSGYPCISA-N 2 0 242.363 0.897 20 0 BCADRP CC[C@H](Cn1cncn1)[NH2+]CC1([NH3+])CCCC1 ZINC000665246450 410729570 /nfs/dbraw/zinc/72/95/70/410729570.db2.gz GCUFWBRGHOARBI-LLVKDONJSA-N 2 0 237.351 0.918 20 0 BCADRP CC[C@@H](O)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000665262106 410734733 /nfs/dbraw/zinc/73/47/33/410734733.db2.gz UJIQVJNPPIRHIH-GWOFURMSSA-N 2 0 216.325 0.099 20 0 BCADRP COC[C@H](C)CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000393747821 410756764 /nfs/dbraw/zinc/75/67/64/410756764.db2.gz OGTUBEIUCJMTIK-UTUOFQBUSA-N 2 0 212.337 0.953 20 0 BCADRP CC(C)[C@H]([NH3+])CCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000665283414 410762234 /nfs/dbraw/zinc/76/22/34/410762234.db2.gz NHGNUIFFWDIRIG-QJPTWQEYSA-N 2 0 213.369 0.947 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCCC1CC[NH2+]CC1 ZINC000655485710 410779521 /nfs/dbraw/zinc/77/95/21/410779521.db2.gz IZQGSINNLBBIBC-VIFPVBQESA-N 2 0 213.325 0.100 20 0 BCADRP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)[C@@H]1C[C@H]1C ZINC000665294019 410783250 /nfs/dbraw/zinc/78/32/50/410783250.db2.gz GXLMYCCOJARGIK-NQMVMOMDSA-N 2 0 236.319 0.775 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCC[NH3+])C1 ZINC000655489257 410794979 /nfs/dbraw/zinc/79/49/79/410794979.db2.gz NIZHRPLJHQXKLD-AOOOYVTPSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489145 410795750 /nfs/dbraw/zinc/79/57/50/410795750.db2.gz MQHYFNUYPQPLIV-OUAUKWLOSA-N 2 0 227.352 0.426 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489385 410797865 /nfs/dbraw/zinc/79/78/65/410797865.db2.gz PUWOJHLFRDCYLS-NTZNESFSSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000655488597 410797968 /nfs/dbraw/zinc/79/79/68/410797968.db2.gz CYRHSFVLAGFSEK-FDNPJPRYSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489691 410798259 /nfs/dbraw/zinc/79/82/59/410798259.db2.gz ZLYQRXSIAKUVJV-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489380 410799143 /nfs/dbraw/zinc/79/91/43/410799143.db2.gz PLVSRMKTAPQWKA-WYUUTHIRSA-N 2 0 239.363 0.441 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655488855 410800328 /nfs/dbraw/zinc/80/03/28/410800328.db2.gz HQSLLAFUWNLJPD-AEJSXWLSSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000655489657 410800702 /nfs/dbraw/zinc/80/07/02/410800702.db2.gz YHSHRSBDSLEJQA-DTORHVGOSA-N 2 0 213.325 0.180 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655488892 410800979 /nfs/dbraw/zinc/80/09/79/410800979.db2.gz IJAHLUBTRKXNOW-UTUOFQBUSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000655488863 410800999 /nfs/dbraw/zinc/80/09/99/410800999.db2.gz HSIHPUWFMOANEC-ZIQFBCGOSA-N 2 0 237.347 0.193 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655488823 410801233 /nfs/dbraw/zinc/80/12/33/410801233.db2.gz GQAKYZLKINESJY-TUAOUCFPSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)S(C)(=O)=O ZINC000665300103 410831911 /nfs/dbraw/zinc/83/19/11/410831911.db2.gz YJUYMKWIYBCULI-KPPDAEKUSA-N 2 0 248.392 0.527 20 0 BCADRP C[C@@H](NC(=O)CCCC[NH3+])C1CC[NH+](C)CC1 ZINC000396449026 410881513 /nfs/dbraw/zinc/88/15/13/410881513.db2.gz FLCCJPZYDMBODF-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](NC(=O)[C@@H](C)C[NH3+])C1CC[NH+](C)CC1 ZINC000396447510 410882010 /nfs/dbraw/zinc/88/20/10/410882010.db2.gz FWMHYIODXCYWAC-VHSXEESVSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@H](NC(=O)[C@H]1CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000396434350 410882458 /nfs/dbraw/zinc/88/24/58/410882458.db2.gz KUGOXPCJEUEMMC-JQWIXIFHSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H](NC(=O)CCC[NH3+])C1CC[NH+](C)CC1 ZINC000396426603 410882590 /nfs/dbraw/zinc/88/25/90/410882590.db2.gz AWQBJDBHGZPHED-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000396434349 410883072 /nfs/dbraw/zinc/88/30/72/410883072.db2.gz KUGOXPCJEUEMMC-CMPLNLGQSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000396434352 410883379 /nfs/dbraw/zinc/88/33/79/410883379.db2.gz KUGOXPCJEUEMMC-ZYHUDNBSSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396478056 410883742 /nfs/dbraw/zinc/88/37/42/410883742.db2.gz YOKRVHXWSDQORP-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H](NC(=O)C(C)(C)C[NH3+])C1CC[NH+](C)CC1 ZINC000396454860 410883884 /nfs/dbraw/zinc/88/38/84/410883884.db2.gz LUKGTSCNIZAAJG-JTQLQIEISA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)N1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1=O ZINC000332713365 167033638 /nfs/dbraw/zinc/03/36/38/167033638.db2.gz PISCDLQKLWIPOR-QJPTWQEYSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000078802650 167066845 /nfs/dbraw/zinc/06/68/45/167066845.db2.gz NYRGMMKLBLLPNM-UHFFFAOYSA-N 2 0 244.383 0.530 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C[NH+](C)C ZINC000340265851 169784477 /nfs/dbraw/zinc/78/44/77/169784477.db2.gz HRTNXYVJDFVUNB-SNVBAGLBSA-N 2 0 215.341 0.395 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000123354816 167341967 /nfs/dbraw/zinc/34/19/67/167341967.db2.gz QHNQAGVUQHROHU-RYUDHWBXSA-N 2 0 241.379 0.783 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+](C)C ZINC000359384742 167342630 /nfs/dbraw/zinc/34/26/30/167342630.db2.gz SNZDQINYYSFLMC-TUAOUCFPSA-N 2 0 239.363 0.250 20 0 BCADRP CC(C)[C@@H](C(=O)NCCC[NH+](C)C)[NH+](C)C ZINC000340953035 167343330 /nfs/dbraw/zinc/34/33/30/167343330.db2.gz LQEQDZXLMFEOPA-NSHDSACASA-N 2 0 229.368 0.641 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000236711371 167345668 /nfs/dbraw/zinc/34/56/68/167345668.db2.gz OCMQGSDZOOEWCP-MNOVXSKESA-N 2 0 227.352 0.441 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC000044808393 167394470 /nfs/dbraw/zinc/39/44/70/167394470.db2.gz ZEMLSZMRHPYRPL-GFCCVEGCSA-N 2 0 241.379 0.675 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000044802719 167395482 /nfs/dbraw/zinc/39/54/82/167395482.db2.gz RVXNPXUKPQCTBY-GHMZBOCLSA-N 2 0 227.352 0.285 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000037467319 167413387 /nfs/dbraw/zinc/41/33/87/167413387.db2.gz YAHCPCNXXNYGKM-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C[C@H](C)[NH3+] ZINC000041680311 410933955 /nfs/dbraw/zinc/93/39/55/410933955.db2.gz OCIBFCYQPRPRHA-JTQLQIEISA-N 2 0 215.341 0.524 20 0 BCADRP CC(C)CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000042308494 410988444 /nfs/dbraw/zinc/98/84/44/410988444.db2.gz DMSIEZLMJPLIIZ-UHFFFAOYSA-N 2 0 213.369 0.870 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)CC1(C)CC1 ZINC000309475900 410947459 /nfs/dbraw/zinc/94/74/59/410947459.db2.gz BWTWSBMYUHTIRO-UHFFFAOYSA-N 2 0 211.353 0.624 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000390513376 411065319 /nfs/dbraw/zinc/06/53/19/411065319.db2.gz CKBGOXLVTMAVND-ZJUUUORDSA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H](C)[NH3+] ZINC000390514145 411065874 /nfs/dbraw/zinc/06/58/74/411065874.db2.gz CNSSPEFCZZOCRQ-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H](NC(=O)C1(C)C[NH2+]C1)C1CC[NH+](C)CC1 ZINC000399285877 411031621 /nfs/dbraw/zinc/03/16/21/411031621.db2.gz POZBSGOOXMAOAK-JTQLQIEISA-N 2 0 239.363 0.442 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000651939390 411155250 /nfs/dbraw/zinc/15/52/50/411155250.db2.gz DRVICHOOIYLWGY-WISYIIOYSA-N 2 0 237.347 0.467 20 0 BCADRP COCCN(C)C[C@H](O)C[NH+]1[C@H](C)C[C@H]1C ZINC000653650438 411156970 /nfs/dbraw/zinc/15/69/70/411156970.db2.gz AKMIJMGEAGZZAL-UTUOFQBUSA-N 2 0 230.352 0.408 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CCC[NH2+]1 ZINC000309513929 411157526 /nfs/dbraw/zinc/15/75/26/411157526.db2.gz YCIKLNREJJMFGC-NXEZZACHSA-N 2 0 213.325 0.228 20 0 BCADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](COC)OC)C1 ZINC000659989629 411158994 /nfs/dbraw/zinc/15/89/94/411158994.db2.gz PWYUNFPPFUIAAB-STQMWFEESA-N 2 0 244.379 0.921 20 0 BCADRP C[C@H](CNC(=O)CCCC[NH3+])[NH+](C)C ZINC000069733573 411159439 /nfs/dbraw/zinc/15/94/39/411159439.db2.gz QYCQOICMJZTRRL-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655504373 411114551 /nfs/dbraw/zinc/11/45/51/411114551.db2.gz AZTWNCLMSFQGFU-LURJTMIESA-N 2 0 241.257 0.510 20 0 BCADRP OCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000400989614 411168498 /nfs/dbraw/zinc/16/84/98/411168498.db2.gz XKYXAGPYWKHKDO-SDDRHHMPSA-N 2 0 224.348 0.737 20 0 BCADRP CN1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1=O ZINC000401001110 411168611 /nfs/dbraw/zinc/16/86/11/411168611.db2.gz MRLPUHIKKJWBLQ-NNYUYHANSA-N 2 0 237.347 0.195 20 0 BCADRP OC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC[NH2+]C1 ZINC000309544500 411168931 /nfs/dbraw/zinc/16/89/31/411168931.db2.gz ZFVPGBTUTIWAMC-WSMDXJOWSA-N 2 0 210.321 0.584 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401023614 411173367 /nfs/dbraw/zinc/17/33/67/411173367.db2.gz MEUSJPUMOLCNOA-FDYHWXHSSA-N 2 0 242.363 0.362 20 0 BCADRP CC(=O)NCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401035115 411173571 /nfs/dbraw/zinc/17/35/71/411173571.db2.gz RDEOKKNNPZLOLC-RWMBFGLXSA-N 2 0 239.363 0.490 20 0 BCADRP C[NH+](C)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401037939 411173592 /nfs/dbraw/zinc/17/35/92/411173592.db2.gz ZPBQFUHQCUZCRS-RWMBFGLXSA-N 3 0 225.380 0.916 20 0 BCADRP CC(C)(CO)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401037914 411173730 /nfs/dbraw/zinc/17/37/30/411173730.db2.gz ZOTIQQFTCZESAF-QJPTWQEYSA-N 2 0 226.364 0.983 20 0 BCADRP c1cn(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000401050059 411174467 /nfs/dbraw/zinc/17/44/67/411174467.db2.gz XVDDRXPGYNRDBG-JHJVBQTASA-N 2 0 249.362 0.646 20 0 BCADRP Cn1nncc1CN1CCC(C)([NH3+])CC1 ZINC000309561917 411175372 /nfs/dbraw/zinc/17/53/72/411175372.db2.gz PBQVEVCJOUXCFA-UHFFFAOYSA-N 2 0 209.297 0.128 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652231674 411176638 /nfs/dbraw/zinc/17/66/38/411176638.db2.gz CFTQRVNJACYWOF-VIFPVBQESA-N 2 0 228.340 0.104 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659564054 411176977 /nfs/dbraw/zinc/17/69/77/411176977.db2.gz DEVQCEBJERKYHJ-VWYCJHECSA-N 2 0 240.351 0.117 20 0 BCADRP Cn1ccnc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401105745 411177092 /nfs/dbraw/zinc/17/70/92/411177092.db2.gz FIKNENHUGJUAFV-QJPTWQEYSA-N 2 0 234.347 0.898 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000309623133 411188089 /nfs/dbraw/zinc/18/80/89/411188089.db2.gz IEHGDTKJEIMOOH-ZJUUUORDSA-N 2 0 213.325 0.100 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000659291078 411191387 /nfs/dbraw/zinc/19/13/87/411191387.db2.gz NZQUMGKQHCHQIQ-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656192680 411198723 /nfs/dbraw/zinc/19/87/23/411198723.db2.gz SUICMGKFTOFMRM-QCNOEVLYSA-N 2 0 211.353 0.973 20 0 BCADRP C[C@H](O)C[N@H+](C[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000656194174 411199405 /nfs/dbraw/zinc/19/94/05/411199405.db2.gz BSFNZJJPSPAKJV-CMPLNLGQSA-N 2 0 212.337 0.831 20 0 BCADRP Cn1nnc2c1CC[C@@H]([NH2+]CC1CC[NH2+]CC1)C2 ZINC000656193901 411199485 /nfs/dbraw/zinc/19/94/85/411199485.db2.gz XQBQMCMKVWBDOV-LLVKDONJSA-N 2 0 249.362 0.262 20 0 BCADRP Cn1nnc2c1CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)C2 ZINC000656193817 411199494 /nfs/dbraw/zinc/19/94/94/411199494.db2.gz UMEJQJMFAXWYFD-MNOVXSKESA-N 2 0 249.362 0.404 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000656193167 411199640 /nfs/dbraw/zinc/19/96/40/411199640.db2.gz WJCHGNPZGLXFAL-UTUOFQBUSA-N 2 0 211.353 0.988 20 0 BCADRP Cn1nnc2c1CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C2 ZINC000656193296 411200432 /nfs/dbraw/zinc/20/04/32/411200432.db2.gz FFPVIWYPLLDEHT-VWYCJHECSA-N 2 0 249.362 0.532 20 0 BCADRP Cn1nnc2c1CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C2 ZINC000656193293 411201039 /nfs/dbraw/zinc/20/10/39/411201039.db2.gz FFPVIWYPLLDEHT-AXFHLTTASA-N 2 0 249.362 0.532 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000424190567 411245201 /nfs/dbraw/zinc/24/52/01/411245201.db2.gz MQXDMBXNQMVQDA-NOOOWODRSA-N 2 0 237.347 0.182 20 0 BCADRP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000656197487 411203215 /nfs/dbraw/zinc/20/32/15/411203215.db2.gz MJIPZXPYAOXRAZ-IJLUTSLNSA-N 2 0 249.362 0.761 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C1 ZINC000656198330 411203353 /nfs/dbraw/zinc/20/33/53/411203353.db2.gz QHNVUZROYRFDSR-IRCOFANPSA-N 2 0 210.321 0.783 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1C[NH2+]C1 ZINC000656200135 411203816 /nfs/dbraw/zinc/20/38/16/411203816.db2.gz KAALENXZAJDGBC-JBLDHEPKSA-N 3 0 211.353 0.524 20 0 BCADRP CCOCC[N@H+](CC)C[C@@](C)(O)C[NH2+]C ZINC000652337590 411203855 /nfs/dbraw/zinc/20/38/55/411203855.db2.gz XHOWQLCXZAEVQQ-NSHDSACASA-N 2 0 218.341 0.315 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656200026 411203861 /nfs/dbraw/zinc/20/38/61/411203861.db2.gz DUEFXVLWASTMMU-AATLWQCWSA-N 2 0 211.309 0.110 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000656200258 411203941 /nfs/dbraw/zinc/20/39/41/411203941.db2.gz KNLFDRZOKLHFKW-LPEHRKFASA-N 2 0 237.351 0.388 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000656200256 411204495 /nfs/dbraw/zinc/20/44/95/411204495.db2.gz KNLFDRZOKLHFKW-GUBZILKMSA-N 2 0 237.351 0.388 20 0 BCADRP COCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000656199714 411204730 /nfs/dbraw/zinc/20/47/30/411204730.db2.gz BIYHVEQQMHKSGQ-QJPTWQEYSA-N 2 0 242.363 0.755 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000652341125 411205862 /nfs/dbraw/zinc/20/58/62/411205862.db2.gz ICSKUAQXHRNRNN-OLZOCXBDSA-N 2 0 241.379 0.032 20 0 BCADRP [NH3+]CCN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349251 411210889 /nfs/dbraw/zinc/21/08/89/411210889.db2.gz HVDDOKXVRZOAJX-SDDRHHMPSA-N 2 0 227.352 0.163 20 0 BCADRP C[C@H]([NH3+])CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349712 411211001 /nfs/dbraw/zinc/21/10/01/411211001.db2.gz ZULPCGXIILCUDK-ZDEQEGDKSA-N 2 0 241.379 0.552 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000365199064 411246427 /nfs/dbraw/zinc/24/64/27/411246427.db2.gz FSZGDRMJKMJBNN-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1CCC[N@H+](CCOCC[NH3+])[C@H]1CC[NH3+] ZINC000652355972 411215042 /nfs/dbraw/zinc/21/50/42/411215042.db2.gz OIPUSRZBZGEIRO-NEPJUHHUSA-N 3 0 229.368 0.411 20 0 BCADRP C[C@H](O)C[N@H+](CCn1ccnc1)C1CC1 ZINC000653902582 411217036 /nfs/dbraw/zinc/21/70/36/411217036.db2.gz WTRNQKRQDRIPAD-JTQLQIEISA-N 2 0 209.293 0.728 20 0 BCADRP CCC[NH+]1CCC([NH2+]C[C@@](C)(CO)OC)CC1 ZINC000655784174 411222611 /nfs/dbraw/zinc/22/26/11/411222611.db2.gz AIOCRENPHQJRSZ-ZDUSSCGKSA-N 2 0 244.379 0.848 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@@](C)(CO)OC)CC1 ZINC000655785152 411225919 /nfs/dbraw/zinc/22/59/19/411225919.db2.gz HNMLFMILJPXLGF-LBPRGKRZSA-N 2 0 230.352 0.458 20 0 BCADRP CO[C@](C)(CO)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000655785696 411228297 /nfs/dbraw/zinc/22/82/97/411228297.db2.gz NDUVEUHFGMHDGG-AGIUHOORSA-N 2 0 242.363 0.600 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC)CC[NH3+] ZINC000627157384 411229157 /nfs/dbraw/zinc/22/91/57/411229157.db2.gz SYYWZGIYMQGZHQ-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC(C)(C)O ZINC000310392540 411234353 /nfs/dbraw/zinc/23/43/53/411234353.db2.gz LGTXWDRFBWIWSP-GFCCVEGCSA-N 2 0 246.395 0.780 20 0 BCADRP CO[C@](C)(CO)C[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000655786742 411235149 /nfs/dbraw/zinc/23/51/49/411235149.db2.gz RXXYETIQCKDLSA-MDZLAQPJSA-N 2 0 242.363 0.599 20 0 BCADRP CO[C@](C)(CO)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000655787478 411236408 /nfs/dbraw/zinc/23/64/08/411236408.db2.gz WNEQUQXYLVUMIF-ZDUSSCGKSA-N 2 0 244.379 0.846 20 0 BCADRP CNC(=O)[C@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000396729299 411240477 /nfs/dbraw/zinc/24/04/77/411240477.db2.gz CUQVALHMGVSAOU-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CO[C@@H]1CCCN(C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000310542879 411240601 /nfs/dbraw/zinc/24/06/01/411240601.db2.gz RLSYKQAPQMGYRI-CHWSQXEVSA-N 2 0 244.379 0.798 20 0 BCADRP COCCOCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400953551 411166349 /nfs/dbraw/zinc/16/63/49/411166349.db2.gz IJQRXKIHEUNENZ-JHJVBQTASA-N 2 0 242.363 0.627 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400951528 411166582 /nfs/dbraw/zinc/16/65/82/411166582.db2.gz HPDCGIVJZHMVND-CHWFTXMASA-N 2 0 225.336 0.228 20 0 BCADRP OC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000400968551 411166590 /nfs/dbraw/zinc/16/65/90/411166590.db2.gz OGCXIMNPBPWCIG-SDDRHHMPSA-N 2 0 224.348 0.879 20 0 BCADRP Cn1cnc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000400967474 411166633 /nfs/dbraw/zinc/16/66/33/411166633.db2.gz ICYHVOUKQROSMD-GMTAPVOTSA-N 2 0 235.335 0.293 20 0 BCADRP COC[C@H](O)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400952195 411166663 /nfs/dbraw/zinc/16/66/63/411166663.db2.gz HXKVYVBPGFNQIY-FDYHWXHSSA-N 2 0 242.363 0.362 20 0 BCADRP OC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000400968548 411166764 /nfs/dbraw/zinc/16/67/64/411166764.db2.gz OGCXIMNPBPWCIG-IJLUTSLNSA-N 2 0 224.348 0.879 20 0 BCADRP C[C@H](C[NH3+])n1cc(C2CC[NH2+]CC2)nn1 ZINC000656457825 411266390 /nfs/dbraw/zinc/26/63/90/411266390.db2.gz GOJCHTPXAJGKPZ-MRVPVSSYSA-N 2 0 209.297 0.265 20 0 BCADRP c1c([C@@H]2CCC[NH2+]C2)nnn1C1CC[NH2+]CC1 ZINC000656457342 411266682 /nfs/dbraw/zinc/26/66/82/411266682.db2.gz UIZRBNJGLXEATA-SNVBAGLBSA-N 2 0 235.335 0.670 20 0 BCADRP C[C@H]([NH3+])Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000656457184 411266927 /nfs/dbraw/zinc/26/69/27/411266927.db2.gz QTGLLHZZLCZNIZ-VHSXEESVSA-N 2 0 223.324 0.167 20 0 BCADRP C[C@H](C[NH3+])n1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000656457924 411268084 /nfs/dbraw/zinc/26/80/84/411268084.db2.gz KCXMWFJTYANQJB-NXEZZACHSA-N 2 0 223.324 0.340 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000133849075 411269017 /nfs/dbraw/zinc/26/90/17/411269017.db2.gz LCCWYYYDKRGBCV-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP Cn1cncc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401668958 411276673 /nfs/dbraw/zinc/27/66/73/411276673.db2.gz JTMZOZVFVCWMQG-JHJVBQTASA-N 2 0 248.374 0.940 20 0 BCADRP c1c([C@H]2CCC[NH2+]C2)nnn1[C@H]1CCC[NH2+]C1 ZINC000656466301 411278514 /nfs/dbraw/zinc/27/85/14/411278514.db2.gz BTMVSIPHPKORPH-QWRGUYRKSA-N 2 0 235.335 0.670 20 0 BCADRP c1c(C[C@@H]2CCC[NH2+]C2)nnn1[C@H]1CCC[NH2+]C1 ZINC000656467360 411279285 /nfs/dbraw/zinc/27/92/85/411279285.db2.gz OUPKNFYJPBRFGL-AAEUAGOBSA-N 2 0 249.362 0.745 20 0 BCADRP c1c(C[NH2+]CC2CC2)nnn1[C@H]1CC[NH2+]C1 ZINC000656466736 411279297 /nfs/dbraw/zinc/27/92/97/411279297.db2.gz HNNMXDSOOMLCJM-NSHDSACASA-N 2 0 221.308 0.312 20 0 BCADRP c1c(C2CC[NH2+]CC2)nnn1[C@@H]1CCC[NH2+]C1 ZINC000656467251 411279727 /nfs/dbraw/zinc/27/97/27/411279727.db2.gz MDSXJHAMVKRARA-LLVKDONJSA-N 2 0 235.335 0.670 20 0 BCADRP c1c(C[NH2+]C2CCCC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000656468737 411280861 /nfs/dbraw/zinc/28/08/61/411280861.db2.gz RLCBWVIGXOJWNR-GFCCVEGCSA-N 2 0 235.335 0.845 20 0 BCADRP c1c(C2CC[NH2+]CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000656468632 411280866 /nfs/dbraw/zinc/28/08/66/411280866.db2.gz PSEOIPHXSZOKFD-SNVBAGLBSA-N 2 0 221.308 0.280 20 0 BCADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)N(C)C ZINC000051919201 411286303 /nfs/dbraw/zinc/28/63/03/411286303.db2.gz CAPUMUUZOIIBLW-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000659643079 411286642 /nfs/dbraw/zinc/28/66/42/411286642.db2.gz NFUJIVATNDONJS-VIFPVBQESA-N 2 0 230.356 0.221 20 0 BCADRP CC(C)C[N@H+](C)CCCNC1=[NH+]CCCN1 ZINC000656508622 411288630 /nfs/dbraw/zinc/28/86/30/411288630.db2.gz RPMVYGIQBOBGSJ-UHFFFAOYSA-N 2 0 226.368 0.903 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000659302666 411294456 /nfs/dbraw/zinc/29/44/56/411294456.db2.gz IFWUKMREDASRSN-GHMZBOCLSA-N 2 0 227.352 0.713 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000659643827 411295328 /nfs/dbraw/zinc/29/53/28/411295328.db2.gz UOILPPJAWRNJHG-HBNTYKKESA-N 2 0 242.367 0.363 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000659303699 411296435 /nfs/dbraw/zinc/29/64/35/411296435.db2.gz VBCOAHZBUBTSNY-NXEZZACHSA-N 2 0 213.325 0.180 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCC(=O)N2)CC1 ZINC000070680209 411299775 /nfs/dbraw/zinc/29/97/75/411299775.db2.gz OLMXJAOHTPBTGA-NSHDSACASA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H]1CN(C(=O)CC(C)(C)[NH3+])CC[C@H]1[NH3+] ZINC000309806966 411252691 /nfs/dbraw/zinc/25/26/91/411252691.db2.gz SKMSMRZEXJEMOA-DTWKUNHWSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000653444816 411256013 /nfs/dbraw/zinc/25/60/13/411256013.db2.gz PXMGLVMRRWRTLC-OPRDCNLKSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000653444701 411256027 /nfs/dbraw/zinc/25/60/27/411256027.db2.gz AMQOFXXXTPAATC-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653444483 411256282 /nfs/dbraw/zinc/25/62/82/411256282.db2.gz GHNJCTBYENZENN-WRWGMCAJSA-N 2 0 239.363 0.842 20 0 BCADRP C[N@H+](CCNC[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000061996773 411256697 /nfs/dbraw/zinc/25/66/97/411256697.db2.gz VKFCPLRAPFPETG-ZDUSSCGKSA-N 2 0 241.379 0.127 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCC(C)(C)[NH3+] ZINC000653445787 411256978 /nfs/dbraw/zinc/25/69/78/411256978.db2.gz WIEGOEBRBNXYRJ-UWVGGRQHSA-N 2 0 227.352 0.842 20 0 BCADRP CCCCNC(=O)CC[N@H+](C)CCC[NH3+] ZINC000309811240 411257244 /nfs/dbraw/zinc/25/72/44/411257244.db2.gz UFPPNKANYUDUCV-UHFFFAOYSA-N 2 0 215.341 0.573 20 0 BCADRP C[C@H]1C[C@H](C[N@H+]2CCC(=O)N(C)CC2)CC[NH2+]1 ZINC000656792170 411372734 /nfs/dbraw/zinc/37/27/34/411372734.db2.gz OWDUBPXHSPHORS-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000659324333 411352485 /nfs/dbraw/zinc/35/24/85/411352485.db2.gz HPPUXXNCQKMDRI-VHSXEESVSA-N 2 0 245.367 0.228 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000659325549 411353608 /nfs/dbraw/zinc/35/36/08/411353608.db2.gz UUUWFAHKVKYFJB-RYUDHWBXSA-N 2 0 241.379 0.783 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000659326004 411353716 /nfs/dbraw/zinc/35/37/16/411353716.db2.gz PKBMQLUJRLZPEO-SECBINFHSA-N 2 0 215.341 0.474 20 0 BCADRP CCCCNC(=O)N(CCC[NH3+])CCC[NH3+] ZINC000658381635 411358665 /nfs/dbraw/zinc/35/86/65/411358665.db2.gz WZCSSWJOKUKDSQ-UHFFFAOYSA-N 2 0 230.356 0.496 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217432229 411373247 /nfs/dbraw/zinc/37/32/47/411373247.db2.gz IXIHMSBWESZINM-MNOVXSKESA-N 2 0 239.363 0.857 20 0 BCADRP C[C@]12COC[C@H]1C[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000656790901 411371150 /nfs/dbraw/zinc/37/11/50/411371150.db2.gz CGXWJBMYLJETTH-UPJWGTAASA-N 2 0 224.348 0.954 20 0 BCADRP CO[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000659848476 411340555 /nfs/dbraw/zinc/34/05/55/411340555.db2.gz AAZJYCXFODGAFJ-XQQFMLRXSA-N 2 0 224.348 0.953 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000659318714 411344409 /nfs/dbraw/zinc/34/44/09/411344409.db2.gz GPDDFQPFDJLZFA-VIFPVBQESA-N 2 0 213.325 0.241 20 0 BCADRP CC(C)([NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000309262012 168028449 /nfs/dbraw/zinc/02/84/49/168028449.db2.gz BMFONWSZBRVMJW-UHFFFAOYSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH+](C)C ZINC000353494872 168177940 /nfs/dbraw/zinc/17/79/40/168177940.db2.gz QZLVCDZJHLSXKP-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000077339144 168178714 /nfs/dbraw/zinc/17/87/14/168178714.db2.gz LOELQCFFZFEHMF-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP CC1CC[NH+](CCCNC(=O)C[NH3+])CC1 ZINC000040832984 168179923 /nfs/dbraw/zinc/17/99/23/168179923.db2.gz BSYJJUXLLDLKFY-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[NH+]1CCC(C)CC1 ZINC000054343523 168180792 /nfs/dbraw/zinc/18/07/92/168180792.db2.gz NJUDTNLTCNRRIJ-LLVKDONJSA-N 2 0 227.352 0.429 20 0 BCADRP CNC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404299755 411390202 /nfs/dbraw/zinc/39/02/02/411390202.db2.gz FQDBWCQZGCUONP-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH+]1CCC([NH2+]CC[C@@]2(O)CCOC2)CC1 ZINC000404240605 411385157 /nfs/dbraw/zinc/38/51/57/411385157.db2.gz WXVJIFCNPHHAFS-CYBMUJFWSA-N 2 0 242.363 0.602 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000638196525 411457403 /nfs/dbraw/zinc/45/74/03/411457403.db2.gz AJEODJCPWJXURA-VXGBXAGGSA-N 2 0 237.347 0.490 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000659311393 411393104 /nfs/dbraw/zinc/39/31/04/411393104.db2.gz KFKAJAXJTUWEAF-LLVKDONJSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000571163202 411394141 /nfs/dbraw/zinc/39/41/41/411394141.db2.gz XHSXRLVIKGFKGE-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CCNC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404424775 411396272 /nfs/dbraw/zinc/39/62/72/411396272.db2.gz KYUFWEWKVBTPIW-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]1CCC[N@H+](CC(=O)N(C)C)[C@@H]1CC[NH3+] ZINC000404436058 411396424 /nfs/dbraw/zinc/39/64/24/411396424.db2.gz RKDUCOVTRWDPMU-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@H]1CCC[N@H+](CC(=O)N(C)C)[C@H]1CC[NH3+] ZINC000404436057 411396525 /nfs/dbraw/zinc/39/65/25/411396525.db2.gz RKDUCOVTRWDPMU-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653046755 411402650 /nfs/dbraw/zinc/40/26/50/411402650.db2.gz NJXCARNKRUHXEW-UNXYVOJBSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653046756 411403002 /nfs/dbraw/zinc/40/30/02/411403002.db2.gz NJXCARNKRUHXEW-VOMCLLRMSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653046272 411403045 /nfs/dbraw/zinc/40/30/45/411403045.db2.gz RBPYWTPGOZUTOH-VXGBXAGGSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653044844 411403053 /nfs/dbraw/zinc/40/30/53/411403053.db2.gz FHVDCSZERWMWCO-QWRGUYRKSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000653047374 411403879 /nfs/dbraw/zinc/40/38/79/411403879.db2.gz OIXOVIQKXYHMHZ-GARJFASQSA-N 2 0 225.336 0.311 20 0 BCADRP CN(CCC[NH3+])C(=O)C1(C[NH3+])CCCC1 ZINC000309458790 411403913 /nfs/dbraw/zinc/40/39/13/411403913.db2.gz OHGKGVDSCIMGDU-UHFFFAOYSA-N 2 0 213.325 0.313 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653048171 411403954 /nfs/dbraw/zinc/40/39/54/411403954.db2.gz NHISGWSUHVEOLU-SRVKXCTJSA-N 2 0 237.347 0.385 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653048507 411404158 /nfs/dbraw/zinc/40/41/58/411404158.db2.gz FKRISYNSVCLLQX-LBPRGKRZSA-N 2 0 241.379 0.880 20 0 BCADRP O=C(NCC[NH2+]C1CC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653048222 411404324 /nfs/dbraw/zinc/40/43/24/411404324.db2.gz QKPGNDDBRRAFIS-RYUDHWBXSA-N 2 0 237.347 0.385 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC[NH2+]1 ZINC000653050832 411404743 /nfs/dbraw/zinc/40/47/43/411404743.db2.gz ZUXYMVPUSZNUTL-USWWRNFRSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000653050575 411404748 /nfs/dbraw/zinc/40/47/48/411404748.db2.gz CEXRWCMCDBBNPI-GXFFZTMASA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000653050430 411404778 /nfs/dbraw/zinc/40/47/78/411404778.db2.gz ZZAZUDIGHKIVCR-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[C@@H]1[NH3+] ZINC000653051185 411404846 /nfs/dbraw/zinc/40/48/46/411404846.db2.gz LTRMSRWLTUEMSX-NOOOWODRSA-N 2 0 239.363 0.700 20 0 BCADRP CN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@H]1CC[NH2+]C1 ZINC000653049992 411405042 /nfs/dbraw/zinc/40/50/42/411405042.db2.gz ZZVNQMFPBJTYPH-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000659375192 411405569 /nfs/dbraw/zinc/40/55/69/411405569.db2.gz HSGYDWBZILYUTF-GRYCIOLGSA-N 2 0 241.379 0.960 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653052947 411405946 /nfs/dbraw/zinc/40/59/46/411405946.db2.gz PZVJTDADGITYBA-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653053414 411406088 /nfs/dbraw/zinc/40/60/88/411406088.db2.gz HSJXKJWJYDJDQR-MNOVXSKESA-N 2 0 225.336 0.324 20 0 BCADRP CCCNC(=O)CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000653501772 411414196 /nfs/dbraw/zinc/41/41/96/411414196.db2.gz ICYYJDRBVSQCAL-VXGBXAGGSA-N 2 0 239.363 0.444 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)C[NH2+]C ZINC000659434423 411414369 /nfs/dbraw/zinc/41/43/69/411414369.db2.gz MUTBQTGMFFUBPQ-GHMZBOCLSA-N 2 0 244.383 0.624 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)C[NH2+]C ZINC000659434428 411414510 /nfs/dbraw/zinc/41/45/10/411414510.db2.gz MUTBQTGMFFUBPQ-WDEREUQCSA-N 2 0 244.383 0.624 20 0 BCADRP C[C@@H](C(=O)NCCCC[N@H+](C)C1CC1)[NH+](C)C ZINC000654634868 411420978 /nfs/dbraw/zinc/42/09/78/411420978.db2.gz IRYXTGPXMAPLBP-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCC[NH3+])C1 ZINC000659512905 411425355 /nfs/dbraw/zinc/42/53/55/411425355.db2.gz RTDURDUQLBYBDO-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000659526659 411429320 /nfs/dbraw/zinc/42/93/20/411429320.db2.gz DTRHQXQUPAPNBK-VIFPVBQESA-N 2 0 228.340 0.102 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)C[NH3+] ZINC000659529967 411429847 /nfs/dbraw/zinc/42/98/47/411429847.db2.gz FTXNUBLZVXJAKI-RKDXNWHRSA-N 2 0 216.329 0.006 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659540796 411431955 /nfs/dbraw/zinc/43/19/55/411431955.db2.gz XAZYCLOATAIOGT-VHSXEESVSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]1CCN(C(=O)NC/C=C/C[NH3+])[C@H](C[NH3+])C1 ZINC000659543932 411432804 /nfs/dbraw/zinc/43/28/04/411432804.db2.gz NITKHEGUSXDTAI-NTYHVHHESA-N 2 0 240.351 0.270 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])C1 ZINC000659551551 411434536 /nfs/dbraw/zinc/43/45/36/411434536.db2.gz VFRPCCOGCWUXQE-DCAQKATOSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659554561 411435315 /nfs/dbraw/zinc/43/53/15/411435315.db2.gz TWDFFWOULLFCCJ-GRZMOONWSA-N 2 0 240.351 0.247 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659554560 411435554 /nfs/dbraw/zinc/43/55/54/411435554.db2.gz TWDFFWOULLFCCJ-BMQDGWLCSA-N 2 0 240.351 0.247 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000659558590 411435980 /nfs/dbraw/zinc/43/59/80/411435980.db2.gz AMIYALJFYHTBBQ-SECBINFHSA-N 2 0 228.340 0.023 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000659564177 411437038 /nfs/dbraw/zinc/43/70/38/411437038.db2.gz OEFJBNOQGNGMDN-ONGXEEELSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000654737323 411437955 /nfs/dbraw/zinc/43/79/55/411437955.db2.gz OAFPWVSDTGUINI-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659574338 411438527 /nfs/dbraw/zinc/43/85/27/411438527.db2.gz AJQIDYQNPQUIOS-SNVBAGLBSA-N 2 0 240.351 0.391 20 0 BCADRP CC(C)(C[NH3+])NC(=O)NCC1([NH3+])CCCC1 ZINC000659578098 411439244 /nfs/dbraw/zinc/43/92/44/411439244.db2.gz RMEBRJOAVZOCCM-UHFFFAOYSA-N 2 0 228.340 0.294 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659576103 411439286 /nfs/dbraw/zinc/43/92/86/411439286.db2.gz ADZYDTXQQANVAE-SNVBAGLBSA-N 2 0 240.351 0.261 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)NCC1([NH3+])CCCC1 ZINC000659578245 411439321 /nfs/dbraw/zinc/43/93/21/411439321.db2.gz SZLKKTDUXOHAIN-VIFPVBQESA-N 2 0 228.340 0.247 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OC)CC1 ZINC000653612974 411439809 /nfs/dbraw/zinc/43/98/09/411439809.db2.gz OWGLBWCESCFOLD-CHWSQXEVSA-N 2 0 244.379 0.800 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000659507608 411463541 /nfs/dbraw/zinc/46/35/41/411463541.db2.gz KAEKEUZFVVSQRQ-NXEZZACHSA-N 2 0 228.340 0.036 20 0 BCADRP CN(Cc1c[nH]cn1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659612535 411441662 /nfs/dbraw/zinc/44/16/62/411441662.db2.gz WTVUCANYOQHEGJ-UHFFFAOYSA-N 2 0 249.318 0.303 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)NCC[C@H](C)[NH3+])C1 ZINC000659611167 411441735 /nfs/dbraw/zinc/44/17/35/411441735.db2.gz QCMYHFBRDUBHSG-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000659618253 411442722 /nfs/dbraw/zinc/44/27/22/411442722.db2.gz FEDWNIBDMDSMOW-VHSXEESVSA-N 2 0 228.340 0.102 20 0 BCADRP CCO[C@@H]1C[N@@H+]([C@H](C)CCOC)C[C@H]1C[NH3+] ZINC000405852820 411443404 /nfs/dbraw/zinc/44/34/04/411443404.db2.gz KFCWZQKPZHNZIR-IJLUTSLNSA-N 2 0 230.352 0.707 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N(C)CC[NH+]1CCCC1 ZINC000659644956 411443794 /nfs/dbraw/zinc/44/37/94/411443794.db2.gz ICYHQEVUVTUWTH-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000637834227 411443979 /nfs/dbraw/zinc/44/39/79/411443979.db2.gz ASAYQMOONFLTLD-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP CCCN(C(=O)[C@@H](C)[NH2+]CC)[C@@H]1CC[NH2+]C1 ZINC000637834025 411444143 /nfs/dbraw/zinc/44/41/43/411444143.db2.gz UIEIGMTUBRFMJY-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000637834212 411444166 /nfs/dbraw/zinc/44/41/66/411444166.db2.gz YTJCEZZXAXCFOW-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000637834211 411444311 /nfs/dbraw/zinc/44/43/11/411444311.db2.gz YTJCEZZXAXCFOW-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC[C@@H]1[NH3+] ZINC000637845511 411445019 /nfs/dbraw/zinc/44/50/19/411445019.db2.gz PUKWZXWSQKLEMN-SRVKXCTJSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637845525 411445160 /nfs/dbraw/zinc/44/51/60/411445160.db2.gz YPBODFCRHRDHAU-MNOVXSKESA-N 2 0 225.336 0.524 20 0 BCADRP C[C@H](CC(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000126943375 411464020 /nfs/dbraw/zinc/46/40/20/411464020.db2.gz VXZQZZVEQCONOK-UTUOFQBUSA-N 2 0 239.363 0.490 20 0 BCADRP CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C)C1 ZINC000340115268 411454291 /nfs/dbraw/zinc/45/42/91/411454291.db2.gz CCWGYUMCFCTCFE-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@H](C)C[NH3+] ZINC000638490542 411468763 /nfs/dbraw/zinc/46/87/63/411468763.db2.gz YJYCZDAFSLZHPV-NXEZZACHSA-N 2 0 213.325 0.038 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NCC1([NH3+])CCCC1 ZINC000659516771 411470887 /nfs/dbraw/zinc/47/08/87/411470887.db2.gz KMPLSROKSCAVPZ-SNVBAGLBSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)[NH+](C)C ZINC000407298454 411477818 /nfs/dbraw/zinc/47/78/18/411477818.db2.gz AYLGKLKJKSQWLN-JLLWLGSASA-N 2 0 239.363 0.583 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)[NH+](C)C ZINC000407298456 411477830 /nfs/dbraw/zinc/47/78/30/411477830.db2.gz AYLGKLKJKSQWLN-YUSALJHKSA-N 2 0 239.363 0.583 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407348854 411481005 /nfs/dbraw/zinc/48/10/05/411481005.db2.gz LXKHMRHUBBAHSR-NEPJUHHUSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](CO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657378204 411487039 /nfs/dbraw/zinc/48/70/39/411487039.db2.gz IEIMOMHHJZSSQB-JTQLQIEISA-N 2 0 232.287 0.738 20 0 BCADRP c1cncc([C@H]2C[NH2+]CCN2C[C@@H]2CC[NH2+]C2)c1 ZINC000647952929 411494854 /nfs/dbraw/zinc/49/48/54/411494854.db2.gz FPCPAGLVGRLYSO-TZMCWYRMSA-N 2 0 246.358 0.637 20 0 BCADRP CN(CCC[NH3+])C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000309471683 411497176 /nfs/dbraw/zinc/49/71/76/411497176.db2.gz RDLLIGLESCGZOE-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP [NH3+]C1(CNC(=O)C[C@@H]2CC[NH2+]C2)CCCCC1 ZINC000127612812 411497578 /nfs/dbraw/zinc/49/75/78/411497578.db2.gz ZLAOPCSJRMSIKB-NSHDSACASA-N 2 0 239.363 0.764 20 0 BCADRP [NH3+][C@H](CNC(=O)C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000127648132 411499294 /nfs/dbraw/zinc/49/92/94/411499294.db2.gz BIDZBRYNWLVKAW-DGCLKSJQSA-N 2 0 247.342 0.802 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000127659594 411500099 /nfs/dbraw/zinc/50/00/99/411500099.db2.gz RMVUNPMNTCHAIG-WDEREUQCSA-N 2 0 227.352 0.476 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)C[NH2+]C ZINC000236825946 169961185 /nfs/dbraw/zinc/96/11/85/169961185.db2.gz INDQVYNDVMPBDX-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000127678932 411502096 /nfs/dbraw/zinc/50/20/96/411502096.db2.gz NVPMFRBYWDTFNU-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659539651 411506115 /nfs/dbraw/zinc/50/61/15/411506115.db2.gz SYXNINAXLFKLLT-UTLUCORTSA-N 2 0 228.340 0.102 20 0 BCADRP C[C@H](CC(=O)N(C)C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655807987 411521621 /nfs/dbraw/zinc/52/16/21/411521621.db2.gz ZLEBKGBMFSCMFY-UTUOFQBUSA-N 2 0 241.379 0.783 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc[nH]n2)C1 ZINC000655826516 411529669 /nfs/dbraw/zinc/52/96/69/411529669.db2.gz GUUBWQOSIVZDAJ-JGZJWPJOSA-N 2 0 208.309 0.840 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000249753969 170006604 /nfs/dbraw/zinc/00/66/04/170006604.db2.gz SMIVJPVJSJQAJZ-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(N)=O)C1 ZINC000309028816 170007438 /nfs/dbraw/zinc/00/74/38/170007438.db2.gz CJEQMBPTFJRVEQ-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000250245222 170008044 /nfs/dbraw/zinc/00/80/44/170008044.db2.gz HVXCZUZAUXNRSU-QWRGUYRKSA-N 2 0 225.336 0.054 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCC[NH3+])[C@H](C)C1 ZINC000357073352 170009895 /nfs/dbraw/zinc/00/98/95/170009895.db2.gz LHANYNIRJFECJS-CHWSQXEVSA-N 2 0 243.395 0.624 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CO)[C@H](C)C1 ZINC000151174654 170014064 /nfs/dbraw/zinc/01/40/64/170014064.db2.gz BYPJZLPKGFKBCN-GMTAPVOTSA-N 2 0 200.326 0.687 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042168017 170015070 /nfs/dbraw/zinc/01/50/70/170015070.db2.gz SMIVJPVJSJQAJZ-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000044751810 170015499 /nfs/dbraw/zinc/01/54/99/170015499.db2.gz RGGQBBXYVFEMTB-SNVBAGLBSA-N 2 0 227.352 0.429 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)CCC[NH2+]C)C1 ZINC000037484154 170015810 /nfs/dbraw/zinc/01/58/10/170015810.db2.gz DCXKTANTGAWGQB-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000037643431 170015929 /nfs/dbraw/zinc/01/59/29/170015929.db2.gz IUOBWCFAUKOWBT-VXGBXAGGSA-N 2 0 239.363 0.444 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH2+]C)C[C@H]1C ZINC000357254781 170016156 /nfs/dbraw/zinc/01/61/56/170016156.db2.gz ZIZFDQJRGKEUBT-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000335150624 170019582 /nfs/dbraw/zinc/01/95/82/170019582.db2.gz PBPOEQJBYLGKPQ-MNOVXSKESA-N 2 0 225.336 0.149 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOCCO)[C@@H](C)C1 ZINC000305869951 170020553 /nfs/dbraw/zinc/02/05/53/170020553.db2.gz OADRJXMSXKMKEU-STQMWFEESA-N 2 0 244.379 0.705 20 0 BCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228544994 170061672 /nfs/dbraw/zinc/06/16/72/170061672.db2.gz HTQUOXWJHNSQIV-HBNTYKKESA-N 2 0 225.336 0.182 20 0 BCADRP CC[NH2+]CC1CC[NH+](CCC[NH2+]C)CC1 ZINC000336716772 170111192 /nfs/dbraw/zinc/11/11/92/170111192.db2.gz WLBBWGGOOQOORZ-UHFFFAOYSA-N 3 0 213.369 0.917 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000131797488 170114419 /nfs/dbraw/zinc/11/44/19/170114419.db2.gz BZFIXISVXQQHQT-WOPDTQHZSA-N 2 0 239.363 0.633 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000236931202 170114423 /nfs/dbraw/zinc/11/44/23/170114423.db2.gz XLEVIHIPQZEZJL-BDAKNGLRSA-N 2 0 201.314 0.086 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]([NH3+])c1ccccc1C ZINC000296305185 170114495 /nfs/dbraw/zinc/11/44/95/170114495.db2.gz GHHRGVZBJYOSOK-GFCCVEGCSA-N 2 0 235.331 0.721 20 0 BCADRP CC[NH2+][C@@H](C)CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000358917517 170139557 /nfs/dbraw/zinc/13/95/57/170139557.db2.gz VDPDYGQPMWMOBM-AAEUAGOBSA-N 2 0 249.358 0.843 20 0 BCADRP CCOC(=O)CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000250480347 170221654 /nfs/dbraw/zinc/22/16/54/170221654.db2.gz VGPZJDHGKXOJJV-RKDXNWHRSA-N 2 0 200.282 0.219 20 0 BCADRP CCOC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514584 170247260 /nfs/dbraw/zinc/24/72/60/170247260.db2.gz QTCLUCAZGWITQT-SECBINFHSA-N 2 0 214.309 0.609 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)c2ccnc(C[NH3+])c2)C1 ZINC000130171963 411568838 /nfs/dbraw/zinc/56/88/38/411568838.db2.gz ZFWVEROFDCSFEO-NSHDSACASA-N 2 0 248.330 0.364 20 0 BCADRP FCCOCC[NH2+]Cc1cnc2n1CCC2 ZINC000663338860 411628735 /nfs/dbraw/zinc/62/87/35/411628735.db2.gz ONWMRNDZFWRDNN-UHFFFAOYSA-N 2 0 227.283 0.905 20 0 BCADRP CN1CCC([NH2+][C@H]2C[C@@H](O)C23CCC3)CC1 ZINC000657704256 411583858 /nfs/dbraw/zinc/58/38/58/411583858.db2.gz RJVLNNVHNJUTQK-NWDGAFQWSA-N 2 0 224.348 0.974 20 0 BCADRP C[C@@H](Cn1cncn1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000657814978 411604059 /nfs/dbraw/zinc/60/40/59/411604059.db2.gz FQVOHXVMOXJSPR-NSHDSACASA-N 2 0 239.367 0.844 20 0 BCADRP C[C@@H](Cn1cncn1)[NH2+]CCC[NH+](C)C ZINC000657816005 411604872 /nfs/dbraw/zinc/60/48/72/411604872.db2.gz HEHBBWMTNGSZFP-JTQLQIEISA-N 2 0 211.313 0.208 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+][C@@H]1CCCN(C)C1 ZINC000657843765 411610325 /nfs/dbraw/zinc/61/03/25/411610325.db2.gz HHPAJSLUUYNDNM-GHMZBOCLSA-N 2 0 223.324 0.350 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(CCO)CCCC1 ZINC000660682974 411617502 /nfs/dbraw/zinc/61/75/02/411617502.db2.gz XRJLFDYHSLEKCS-LBPRGKRZSA-N 2 0 244.379 0.584 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000663496696 411670682 /nfs/dbraw/zinc/67/06/82/411670682.db2.gz HXMKUNNOKWYEGL-LVEVGFFFSA-N 3 0 209.337 0.039 20 0 BCADRP CC(C)([NH3+])CNCc1nc2c(s1)C[NH2+]CC2 ZINC000663492878 411670995 /nfs/dbraw/zinc/67/09/95/411670995.db2.gz DDRPUXLIQOMDNQ-UHFFFAOYSA-N 2 0 240.376 0.616 20 0 BCADRP C(NC[C@@]12C[C@@H]1C[NH2+]C2)[C@H]1CCCC[NH2+]1 ZINC000663493132 411671557 /nfs/dbraw/zinc/67/15/57/411671557.db2.gz FXGHMUUOIJQDKN-UTUOFQBUSA-N 2 0 209.337 0.328 20 0 BCADRP CC[C@@H]1CN(C[C@@]23C[C@@H]2C[NH2+]C3)CC[C@H]1[NH3+] ZINC000663494590 411674992 /nfs/dbraw/zinc/67/49/92/411674992.db2.gz JPUMSZQRQQUTKL-LPWJVIDDSA-N 2 0 223.364 0.655 20 0 BCADRP CC1(C)C[NH2+]CCN1C[C@]12C[C@H]1C[NH2+]C2 ZINC000663496560 411676576 /nfs/dbraw/zinc/67/65/76/411676576.db2.gz VZEQHFUOECNXOM-CMPLNLGQSA-N 2 0 209.337 0.280 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C[C@]12C[C@H]1C[NH2+]C2 ZINC000663496128 411677932 /nfs/dbraw/zinc/67/79/32/411677932.db2.gz SHBDIASIYVIBKO-YNEHKIRRSA-N 2 0 223.364 0.670 20 0 BCADRP C([NH2+]CC12CC(C1)C[NH2+]2)C1CC[NH2+]CC1 ZINC000663497610 411678855 /nfs/dbraw/zinc/67/88/55/411678855.db2.gz IHJRLINDUKMYAY-UHFFFAOYSA-N 3 0 209.337 0.328 20 0 BCADRP C[C@@H](C[C@@H]1CCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000663499981 411683433 /nfs/dbraw/zinc/68/34/33/411683433.db2.gz HOGIKCJQJLHLNH-QCXCNERSSA-N 2 0 223.364 0.859 20 0 BCADRP CC(C)[C@H]([NH3+])CC[NH2+]CC1CC[NH2+]CC1 ZINC000663499693 411683518 /nfs/dbraw/zinc/68/35/18/411683518.db2.gz KUOPAHQLGULHRC-GFCCVEGCSA-N 3 0 213.369 0.949 20 0 BCADRP C[C@@H](NCC12CC(C1)C[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000663501297 411685154 /nfs/dbraw/zinc/68/51/54/411685154.db2.gz UYFCWMNPXDBBNT-CQLXCSJHSA-N 2 0 223.364 0.716 20 0 BCADRP CC(C)(C)[NH2+]CCNCC12CC(C1)C[NH2+]2 ZINC000663501247 411685734 /nfs/dbraw/zinc/68/57/34/411685734.db2.gz TYVQWWYAEZAUBK-UHFFFAOYSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]CCNc1cnccn1 ZINC000422889764 411815836 /nfs/dbraw/zinc/81/58/36/411815836.db2.gz QNJVVGZYGWSBMW-NSHDSACASA-N 2 0 237.351 0.996 20 0 BCADRP C[C@@H](CCNc1cc[nH+]cc1C(N)=O)[NH+](C)C ZINC000664243391 411895190 /nfs/dbraw/zinc/89/51/90/411895190.db2.gz FKKOEYFDVXJPSJ-VIFPVBQESA-N 2 0 236.319 0.355 20 0 BCADRP C[C@@H]1CN(c2nc(N)[nH+]c3c2CCCC3)CC[NH2+]1 ZINC000647704650 411910315 /nfs/dbraw/zinc/91/03/15/411910315.db2.gz CQFCGHYSAXZWPM-SECBINFHSA-N 2 0 247.346 0.736 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(Cc2ccnc(N)c2)CCO1 ZINC000647865764 411919547 /nfs/dbraw/zinc/91/95/47/411919547.db2.gz SABLKVKHZWTGOU-GXSJLCMTSA-N 2 0 236.319 0.212 20 0 BCADRP CN(CC1C[NH+](C)C1)c1ccncc1C(N)=O ZINC000664331268 411922273 /nfs/dbraw/zinc/92/22/73/411922273.db2.gz PKMLMBGKFIPYLO-UHFFFAOYSA-N 2 0 234.303 0.178 20 0 BCADRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccnc(N)c2)C1 ZINC000516291683 411931509 /nfs/dbraw/zinc/93/15/09/411931509.db2.gz YVDOSJHSVLNEEK-GFCCVEGCSA-N 2 0 220.320 0.835 20 0 BCADRP C[N@H+](CCOCC[NH3+])Cc1ccc(N)nc1 ZINC000629664138 411874571 /nfs/dbraw/zinc/87/45/71/411874571.db2.gz JOIDMPXGQNOTOO-UHFFFAOYSA-N 2 0 224.308 0.071 20 0 BCADRP CC[C@@H](COC)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000127773477 170847368 /nfs/dbraw/zinc/84/73/68/170847368.db2.gz QJGUEQVBHQFDAU-STQMWFEESA-N 2 0 243.395 0.637 20 0 BCADRP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661767800 411878801 /nfs/dbraw/zinc/87/88/01/411878801.db2.gz RINXHIPZLDOBFS-GRYCIOLGSA-N 2 0 230.352 0.144 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@H](C)O ZINC000661766695 411879029 /nfs/dbraw/zinc/87/90/29/411879029.db2.gz HLSUSKYSHFYYSE-RWMBFGLXSA-N 2 0 244.379 0.533 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)Nc1nc(N)[nH+]c2c1CCCC2 ZINC000647708225 411883923 /nfs/dbraw/zinc/88/39/23/411883923.db2.gz FHBYJHDMKMLVQU-SFYZADRCSA-N 2 0 235.335 0.507 20 0 BCADRP Nc1ncc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000647546802 411964255 /nfs/dbraw/zinc/96/42/55/411964255.db2.gz CAOIDPUCYZQDFY-HTQZYQBOSA-N 2 0 226.349 1.085 20 0 BCADRP Cc1nc(N)nc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000631188895 411966475 /nfs/dbraw/zinc/96/64/75/411966475.db2.gz LBEVMNGXKDLEHC-SFYZADRCSA-N 2 0 236.323 0.291 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)CN1CCC2(COC2)C1 ZINC000662075139 411975590 /nfs/dbraw/zinc/97/55/90/411975590.db2.gz YQCYTOITBAPYMN-LBPRGKRZSA-N 2 0 242.363 0.410 20 0 BCADRP Nc1ccc(C[NH+]2CCC(C[NH3+])CC2)cn1 ZINC000647482171 411976237 /nfs/dbraw/zinc/97/62/37/411976237.db2.gz AVDMTWWMLOATFV-UHFFFAOYSA-N 2 0 220.320 0.835 20 0 BCADRP Nc1cc(C[NH+]2CCC(C[NH3+])CC2)ccn1 ZINC000572880507 411976973 /nfs/dbraw/zinc/97/69/73/411976973.db2.gz AYHGHTJXJVVTEQ-UHFFFAOYSA-N 2 0 220.320 0.835 20 0 BCADRP CCC[N@H+](C)CC(C)(C)NC(=O)CCC[NH3+] ZINC000664721032 412013184 /nfs/dbraw/zinc/01/31/84/412013184.db2.gz OMXJQXYKFYVHOV-UHFFFAOYSA-N 2 0 229.368 0.962 20 0 BCADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](C)[NH3+] ZINC000664721544 412014770 /nfs/dbraw/zinc/01/47/70/412014770.db2.gz SCDFJOFSYXDNTJ-SECBINFHSA-N 2 0 215.341 0.570 20 0 BCADRP Nc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cn1 ZINC000647546146 411957338 /nfs/dbraw/zinc/95/73/38/411957338.db2.gz AWMSEKVTTHBDTI-JTQLQIEISA-N 2 0 220.320 0.753 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662228606 412031732 /nfs/dbraw/zinc/03/17/32/412031732.db2.gz IVUSMJAJJQRIHI-OLZOCXBDSA-N 2 0 224.348 0.954 20 0 BCADRP [NH3+]CC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662236522 412034795 /nfs/dbraw/zinc/03/47/95/412034795.db2.gz ZHNMRBUKTXYUPA-LBPRGKRZSA-N 3 0 239.363 0.178 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000662245004 412040657 /nfs/dbraw/zinc/04/06/57/412040657.db2.gz KUDDVUYHBQVMOI-TUAOUCFPSA-N 2 0 227.352 0.034 20 0 BCADRP CCN1CC[C@H]([NH+]2CCC(C[NH2+]C)CC2)C1=O ZINC000662245573 412041177 /nfs/dbraw/zinc/04/11/77/412041177.db2.gz KZLOSASNRSUION-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP COC[C@H](C[N@H+](C)CC(C)(C)C[NH3+])OC ZINC000662247773 412044232 /nfs/dbraw/zinc/04/42/32/412044232.db2.gz KKNNMWPPXIYLAS-JTQLQIEISA-N 2 0 218.341 0.565 20 0 BCADRP COC[C@H](C[N@H+](C)CC[C@H]([NH3+])C(C)C)OC ZINC000662247343 412044352 /nfs/dbraw/zinc/04/43/52/412044352.db2.gz FYIDGFZNOWFFGG-RYUDHWBXSA-N 2 0 232.368 0.953 20 0 BCADRP COC[C@H](C[NH+]1CCC([C@H](C)[NH3+])CC1)OC ZINC000662247204 412044554 /nfs/dbraw/zinc/04/45/54/412044554.db2.gz VIONYAKCMMVJND-JQWIXIFHSA-N 2 0 230.352 0.707 20 0 BCADRP CCN1CC[C@H](N2CCC[C@H]([C@@H](C)[NH3+])C2)C1=O ZINC000662246885 412044768 /nfs/dbraw/zinc/04/47/68/412044768.db2.gz UQZJCZFBXJJTJV-WOPDTQHZSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662247874 412044946 /nfs/dbraw/zinc/04/49/46/412044946.db2.gz NNGIJSGLGCVFLL-VXGBXAGGSA-N 3 0 241.379 0.470 20 0 BCADRP C([C@H]1CCC2(C[NH2+]C2)O1)[NH+]1CCSCC1 ZINC000662249494 412046250 /nfs/dbraw/zinc/04/62/50/412046250.db2.gz VQZHSBDVHHTASY-SNVBAGLBSA-N 2 0 228.361 0.556 20 0 BCADRP CCCC[N@H+](CCO)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249932 412047486 /nfs/dbraw/zinc/04/74/86/412047486.db2.gz VNEOHXBERNPMSO-GFCCVEGCSA-N 2 0 242.363 0.602 20 0 BCADRP COC[C@@H](C[NH2+][C@](C)(C[NH3+])C(C)C)OC ZINC000662248684 412047823 /nfs/dbraw/zinc/04/78/23/412047823.db2.gz AQURPOPJJQQPPK-GHMZBOCLSA-N 2 0 218.341 0.611 20 0 BCADRP CC[C@H]1COCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252891 412048553 /nfs/dbraw/zinc/04/85/53/412048553.db2.gz RBCOLDAPXSKGOJ-NWDGAFQWSA-N 2 0 240.347 0.618 20 0 BCADRP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCCOCC1 ZINC000662253893 412048827 /nfs/dbraw/zinc/04/88/27/412048827.db2.gz YFCXICILJFQOHB-LLVKDONJSA-N 2 0 226.320 0.230 20 0 BCADRP C[C@@H](O)CC[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254357 412049123 /nfs/dbraw/zinc/04/91/23/412049123.db2.gz HOCGWMVMCKKYEP-MNOVXSKESA-N 2 0 228.336 0.210 20 0 BCADRP C[C@H](O)CC[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254359 412049676 /nfs/dbraw/zinc/04/96/76/412049676.db2.gz HOCGWMVMCKKYEP-QWRGUYRKSA-N 2 0 228.336 0.210 20 0 BCADRP COC(C)(C)C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257652 412051739 /nfs/dbraw/zinc/05/17/39/412051739.db2.gz FJMRWZHEFJEJKD-NSHDSACASA-N 2 0 242.363 0.864 20 0 BCADRP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCOC1 ZINC000662258987 412053707 /nfs/dbraw/zinc/05/37/07/412053707.db2.gz ZSGYUXFAIQESNV-QWRGUYRKSA-N 2 0 226.320 0.228 20 0 BCADRP CC(C)CO[C@H]1CC[N@H+](C[C@H]2CNCCO2)C1 ZINC000662259546 412054843 /nfs/dbraw/zinc/05/48/43/412054843.db2.gz YQXOTAIRBKFNAP-QWHCGFSZSA-N 2 0 242.363 0.722 20 0 BCADRP CCN1CC[C@H]([N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)C1=O ZINC000662267000 412057966 /nfs/dbraw/zinc/05/79/66/412057966.db2.gz RLSJTAQGBHCHRA-AXFHLTTASA-N 2 0 225.336 0.276 20 0 BCADRP CCN1CC[C@H]([N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)C1=O ZINC000662267001 412058373 /nfs/dbraw/zinc/05/83/73/412058373.db2.gz RLSJTAQGBHCHRA-DCAQKATOSA-N 2 0 225.336 0.276 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CNCCO3)C[C@@H]21 ZINC000662267518 412061013 /nfs/dbraw/zinc/06/10/13/412061013.db2.gz WFLOHYKUNCFMIR-MROQNXINSA-N 2 0 239.363 0.034 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[NH2+]C ZINC000370768138 171098892 /nfs/dbraw/zinc/09/88/92/171098892.db2.gz YMPWUUVPALFSLM-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP COC[C@H](C[N@@H+]1CCC[C@@H](CC[NH3+])C1)OC ZINC000662273735 412065501 /nfs/dbraw/zinc/06/55/01/412065501.db2.gz ZIFGJYIDTBNCDU-RYUDHWBXSA-N 2 0 230.352 0.709 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@@H](COC)OC)CC[C@H]1[NH3+] ZINC000662273106 412066065 /nfs/dbraw/zinc/06/60/65/412066065.db2.gz SYSBDKGJUSAGNU-GRYCIOLGSA-N 2 0 230.352 0.707 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000353540105 171145817 /nfs/dbraw/zinc/14/58/17/171145817.db2.gz YLZZTKZZAAUJDO-RCWTZXSCSA-N 2 0 225.336 0.323 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+](CC)CC ZINC000353018854 171146685 /nfs/dbraw/zinc/14/66/85/171146685.db2.gz AFPYJRQLXAGGQZ-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000353452801 171146708 /nfs/dbraw/zinc/14/67/08/171146708.db2.gz QZWHRXUPYZBDFL-VWYCJHECSA-N 2 0 227.352 0.441 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000336618698 171147349 /nfs/dbraw/zinc/14/73/49/171147349.db2.gz MGJBCVBZBBFQGL-QWRGUYRKSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000353423473 171147636 /nfs/dbraw/zinc/14/76/36/171147636.db2.gz DYBRMNKVLSRHAN-DCAQKATOSA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]([NH3+])C(C)C ZINC000353135590 171148036 /nfs/dbraw/zinc/14/80/36/171148036.db2.gz WTBCETCFQGBDTJ-DCAQKATOSA-N 2 0 227.352 0.474 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000353122573 171148079 /nfs/dbraw/zinc/14/80/79/171148079.db2.gz AVYODHNLQYDDTK-GARJFASQSA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]([NH3+])C(C)C ZINC000353135594 171149010 /nfs/dbraw/zinc/14/90/10/171149010.db2.gz WTBCETCFQGBDTJ-VWYCJHECSA-N 2 0 227.352 0.474 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000353184243 171149026 /nfs/dbraw/zinc/14/90/26/171149026.db2.gz IIRJGLYFORMWNS-KXNHARMFSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H]1C[NH3+] ZINC000353154325 171149038 /nfs/dbraw/zinc/14/90/38/171149038.db2.gz RQBYUOSWINTZCG-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000353128832 171149542 /nfs/dbraw/zinc/14/95/42/171149542.db2.gz LOZASLIXDQMVSP-MDZLAQPJSA-N 2 0 241.379 0.864 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000353122574 171149742 /nfs/dbraw/zinc/14/97/42/171149742.db2.gz AVYODHNLQYDDTK-OUAUKWLOSA-N 2 0 225.336 0.228 20 0 BCADRP C[N@H+](CCCC1CCC1)C[C@@H](O)C[NH3+] ZINC000662277779 412070048 /nfs/dbraw/zinc/07/00/48/412070048.db2.gz RWCUONHFQRXSHX-NSHDSACASA-N 2 0 200.326 0.818 20 0 BCADRP CC[C@@]1(C(=O)N2CCC(C[NH3+])CC2)CC[NH2+]C1 ZINC000370846306 171194418 /nfs/dbraw/zinc/19/44/18/171194418.db2.gz LTHMTMZIFUZWPV-CYBMUJFWSA-N 2 0 239.363 0.573 20 0 BCADRP CC[C@@]1(C(=O)N2CCC[C@@H]([NH2+]C)C2)CCC[NH2+]1 ZINC000134367248 171195157 /nfs/dbraw/zinc/19/51/57/171195157.db2.gz VGVYODOLDSUYJA-YPMHNXCESA-N 2 0 239.363 0.729 20 0 BCADRP CC[C@@]1(C(=O)N[C@@H](C)CC[NH+](C)C)CCC[NH2+]1 ZINC000121999174 171196129 /nfs/dbraw/zinc/19/61/29/171196129.db2.gz SVRQCWSTDXCWTL-AAEUAGOBSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@@]1(C(=O)N[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000370843965 171197854 /nfs/dbraw/zinc/19/78/54/171197854.db2.gz AOMAGGNSRHWXOY-CMPLNLGQSA-N 2 0 225.336 0.244 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)[NH+](C)C ZINC000377789988 171225231 /nfs/dbraw/zinc/22/52/31/171225231.db2.gz VSQOTWYWAMQFDK-SDDRHHMPSA-N 2 0 239.363 0.395 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)[NH+](C)C ZINC000373041640 171225423 /nfs/dbraw/zinc/22/54/23/171225423.db2.gz HFASKCNARXKUBC-QJPTWQEYSA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[NH+](C)C ZINC000366282030 171226022 /nfs/dbraw/zinc/22/60/22/171226022.db2.gz FCOANYIFZPERPB-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)[NH+](C)C ZINC000248587564 171226325 /nfs/dbraw/zinc/22/63/25/171226325.db2.gz GMTSEJAMHGJFDY-NNYUYHANSA-N 2 0 239.363 0.522 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)[NH+](C)C ZINC000366282033 171226354 /nfs/dbraw/zinc/22/63/54/171226354.db2.gz FCOANYIFZPERPB-QJPTWQEYSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662283294 412074500 /nfs/dbraw/zinc/07/45/00/412074500.db2.gz HCJVMMTZUNCUHU-WOPDTQHZSA-N 3 0 239.363 0.319 20 0 BCADRP OCC1([NH2+]CCC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000662285984 412076471 /nfs/dbraw/zinc/07/64/71/412076471.db2.gz DPAMQVJJOPBJNW-UHFFFAOYSA-N 3 0 241.379 0.080 20 0 BCADRP C[C@@H](C(N)=O)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293979 412082851 /nfs/dbraw/zinc/08/28/51/412082851.db2.gz VQURZMTUSFVNGL-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000249546742 171306041 /nfs/dbraw/zinc/30/60/41/171306041.db2.gz GKQTXFNTEYJZOW-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000248969665 171307064 /nfs/dbraw/zinc/30/70/64/171307064.db2.gz DAWQYIOGZSYFEG-AXFHLTTASA-N 2 0 229.368 0.816 20 0 BCADRP CC[C@H](C)[N@H+](CCO)C[C@H](O)CN(C)C1CC1 ZINC000336732893 171314638 /nfs/dbraw/zinc/31/46/38/171314638.db2.gz ZWCWPPDZOOWMKP-WCQYABFASA-N 2 0 244.379 0.534 20 0 BCADRP CC[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221159835 171317862 /nfs/dbraw/zinc/31/78/62/171317862.db2.gz NWMNPVYXQURMMZ-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1CN(C[C@@H]1C[NH2+]CCO1)C2 ZINC000662286956 412080426 /nfs/dbraw/zinc/08/04/26/412080426.db2.gz UYJIAKUCZDELFN-AVGNSLFASA-N 2 0 239.363 0.036 20 0 BCADRP C[C@H](C(N)=O)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293982 412081126 /nfs/dbraw/zinc/08/11/26/412081126.db2.gz VQURZMTUSFVNGL-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C2CC2)CC1 ZINC000037827008 171369714 /nfs/dbraw/zinc/36/97/14/171369714.db2.gz ZJXJNZIIODZNPF-CMPLNLGQSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(CC)CC1 ZINC000019487554 171370154 /nfs/dbraw/zinc/37/01/54/171370154.db2.gz SROXFXQRPDNYOJ-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC000044526659 171371254 /nfs/dbraw/zinc/37/12/54/171371254.db2.gz LOCPKPORQOJDHK-CMPLNLGQSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000037467309 171371422 /nfs/dbraw/zinc/37/14/22/171371422.db2.gz NMOJBYMXWNIQEV-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484905 171371452 /nfs/dbraw/zinc/37/14/52/171371452.db2.gz SFONRDQYIAQCBS-GARJFASQSA-N 2 0 227.352 0.428 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368210737 171371537 /nfs/dbraw/zinc/37/15/37/171371537.db2.gz DFXIQIIYFADJNW-GARJFASQSA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+](C)CC1 ZINC000037267566 171393817 /nfs/dbraw/zinc/39/38/17/171393817.db2.gz VFNJVGBUVYPZET-ONGXEEELSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000309404704 171394078 /nfs/dbraw/zinc/39/40/78/171394078.db2.gz HWKRLHGCGVHGSA-XKNYDFJKSA-N 2 0 213.325 0.308 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091392899 171394093 /nfs/dbraw/zinc/39/40/93/171394093.db2.gz TWWFBWXKECPGTA-SRVKXCTJSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000366498282 171394421 /nfs/dbraw/zinc/39/44/21/171394421.db2.gz ROHDMNIEJQPXAV-BJDJZHNGSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000122733724 171395001 /nfs/dbraw/zinc/39/50/01/171395001.db2.gz SRNWKKZHIHTUGT-QCNOEVLYSA-N 2 0 241.379 0.959 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000247124316 171395134 /nfs/dbraw/zinc/39/51/34/171395134.db2.gz MYZPJUKICBEDCP-AEJSXWLSSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368643907 171395870 /nfs/dbraw/zinc/39/58/70/171395870.db2.gz BPQCYDRJPUNHJE-XKNYDFJKSA-N 2 0 231.315 0.176 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000122733900 171397096 /nfs/dbraw/zinc/39/70/96/171397096.db2.gz SRNWKKZHIHTUGT-USZNOCQGSA-N 2 0 241.379 0.959 20 0 BCADRP [NH3+]C1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662386996 412140224 /nfs/dbraw/zinc/14/02/24/412140224.db2.gz CZZLSICHFJKIAE-UHFFFAOYSA-N 2 0 237.347 0.611 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000662387169 412140435 /nfs/dbraw/zinc/14/04/35/412140435.db2.gz ITWWLEWYZVRGFT-WOPDTQHZSA-N 2 0 241.379 0.831 20 0 BCADRP COCC1([N@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000662299174 412087233 /nfs/dbraw/zinc/08/72/33/412087233.db2.gz URUGQAVJXRMDPH-UHFFFAOYSA-N 2 0 227.352 0.002 20 0 BCADRP C[N@@H+](CC1=CCCOC1)C[C@H]1CC[NH2+]C1 ZINC000662305615 412091561 /nfs/dbraw/zinc/09/15/61/412091561.db2.gz LBZNSAYBOLKHMR-NSHDSACASA-N 2 0 210.321 0.874 20 0 BCADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1COCCO1 ZINC000662307729 412092810 /nfs/dbraw/zinc/09/28/10/412092810.db2.gz YJXANWIVQABUJX-OLZOCXBDSA-N 2 0 242.363 0.723 20 0 BCADRP C[C@]12COC[C@@H]1C[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000662312203 412093906 /nfs/dbraw/zinc/09/39/06/412093906.db2.gz XMPJXTAEXQJKFU-AGIUHOORSA-N 2 0 224.348 0.954 20 0 BCADRP [NH3+][C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000662323888 412102565 /nfs/dbraw/zinc/10/25/65/412102565.db2.gz TUJJKRWZJMAKGO-HBNTYKKESA-N 2 0 215.316 0.357 20 0 BCADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCCCO)CCO1 ZINC000662324089 412103051 /nfs/dbraw/zinc/10/30/51/412103051.db2.gz UONPZHONEQVZGR-CYBMUJFWSA-N 2 0 244.379 0.802 20 0 BCADRP CN(CC[C@H]1CC[NH2+]C1)[C@@H](C[NH3+])C(F)(F)F ZINC000662331710 412104467 /nfs/dbraw/zinc/10/44/67/412104467.db2.gz QAVGFCHFFKNLRW-BDAKNGLRSA-N 2 0 239.285 0.807 20 0 BCADRP C[C@@H]([NH3+])CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662327286 412104578 /nfs/dbraw/zinc/10/45/78/412104578.db2.gz MDZARLJWMCTRAO-NEPJUHHUSA-N 2 0 229.368 0.376 20 0 BCADRP O=C(NC1CC[NH2+]CC1)C1([NH2+]C2CC2)CCC1 ZINC000662390581 412142037 /nfs/dbraw/zinc/14/20/37/412142037.db2.gz NHGQQCDXRXFGBY-UHFFFAOYSA-N 2 0 237.347 0.529 20 0 BCADRP C[NH2+]CCCN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662327349 412105050 /nfs/dbraw/zinc/10/50/50/412105050.db2.gz OEBIBOVRQOMZFZ-ZDUSSCGKSA-N 2 0 243.395 0.639 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC[NH+]1CCCCCC1 ZINC000662379567 412130872 /nfs/dbraw/zinc/13/08/72/412130872.db2.gz DFOVHMGVTYXGSK-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCNc1cnccn1 ZINC000361981272 412131860 /nfs/dbraw/zinc/13/18/60/412131860.db2.gz NSVGBIZGKKKGFF-NEPJUHHUSA-N 2 0 249.362 0.818 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCNc1cnccn1 ZINC000361981281 412132570 /nfs/dbraw/zinc/13/25/70/412132570.db2.gz NSVGBIZGKKKGFF-VXGBXAGGSA-N 2 0 249.362 0.818 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000662438079 412175067 /nfs/dbraw/zinc/17/50/67/412175067.db2.gz XYCWSTBAJXENGO-NSHDSACASA-N 2 0 245.367 0.195 20 0 BCADRP COC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)C1CCOCC1 ZINC000665236317 412176149 /nfs/dbraw/zinc/17/61/49/412176149.db2.gz KFUDDIMIISHEPU-MFKMUULPSA-N 2 0 242.363 0.626 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000662450910 412179416 /nfs/dbraw/zinc/17/94/16/412179416.db2.gz FLZWTPUXXBEIAS-NEPJUHHUSA-N 2 0 239.363 0.585 20 0 BCADRP OC/C=C\C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000665239597 412180953 /nfs/dbraw/zinc/18/09/53/412180953.db2.gz VEZHHGUWECJEAD-XXVAJBOBSA-N 2 0 210.321 0.513 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H](CC)[NH2+]C ZINC000662458164 412181488 /nfs/dbraw/zinc/18/14/88/412181488.db2.gz XUIUVFZRNRUXIH-NSHDSACASA-N 2 0 229.368 0.833 20 0 BCADRP C[C@@H](N[C@H]1CC[NH2+]C1)c1c[nH+]ccc1N ZINC000665241294 412185213 /nfs/dbraw/zinc/18/52/13/412185213.db2.gz HNPLYHSDSHBZFM-BDAKNGLRSA-N 2 0 206.293 0.507 20 0 BCADRP CO[C@@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000665244058 412187138 /nfs/dbraw/zinc/18/71/38/412187138.db2.gz FSXANZXUBQVJPR-XWLWVQCSSA-N 2 0 216.325 0.363 20 0 BCADRP C1C[C@H]2C[C@@H](N[C@H]3CC[NH2+]C3)CC[N@@H+]2C1 ZINC000665242917 412187604 /nfs/dbraw/zinc/18/76/04/412187604.db2.gz OMHPFRBJLVWDAJ-SRVKXCTJSA-N 2 0 209.337 0.565 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+](C)CCCOC ZINC000662477286 412189449 /nfs/dbraw/zinc/18/94/49/412189449.db2.gz XPJXVBUGVWBDNI-LLVKDONJSA-N 2 0 245.367 0.069 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1NCC1([NH3+])CCCC1 ZINC000665246598 412190399 /nfs/dbraw/zinc/19/03/99/412190399.db2.gz JLZSKAUEWHIOQN-GHMZBOCLSA-N 2 0 211.353 0.975 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000662483225 412190506 /nfs/dbraw/zinc/19/05/06/412190506.db2.gz SSHHFOJVJKUOAI-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000662486915 412190669 /nfs/dbraw/zinc/19/06/69/412190669.db2.gz YEJUGKXCNLILLO-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NCC1([NH3+])CCCC1 ZINC000665246412 412191022 /nfs/dbraw/zinc/19/10/22/412191022.db2.gz FFCWRZVKRHZPIV-WDEREUQCSA-N 2 0 211.353 0.846 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H](CC)[NH2+]C ZINC000662485609 412191424 /nfs/dbraw/zinc/19/14/24/412191424.db2.gz HIFVYPOHNNELGY-NSHDSACASA-N 2 0 229.368 0.833 20 0 BCADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1([NH3+])CCCC1 ZINC000665246730 412191681 /nfs/dbraw/zinc/19/16/81/412191681.db2.gz MNJYGFOLLIXIJW-SRVKXCTJSA-N 2 0 241.379 0.600 20 0 BCADRP CC(C)[NH2+]CC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000662554391 412214993 /nfs/dbraw/zinc/21/49/93/412214993.db2.gz UXMBUPIHWWGMEU-UHFFFAOYSA-N 2 0 249.358 0.972 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000662497428 412195368 /nfs/dbraw/zinc/19/53/68/412195368.db2.gz IESDRMMPOMUNOJ-ATZCPNFKSA-N 2 0 225.336 0.193 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]CCNc1cnccn1 ZINC000422889763 412197291 /nfs/dbraw/zinc/19/72/91/412197291.db2.gz QNJVVGZYGWSBMW-LLVKDONJSA-N 2 0 237.351 0.996 20 0 BCADRP [NH3+]C1(CNC(=O)c2cccc3c2C[NH2+]C3)CCC1 ZINC000662516083 412201427 /nfs/dbraw/zinc/20/14/27/412201427.db2.gz ZRGHYAFJWMYDJY-UHFFFAOYSA-N 2 0 245.326 0.901 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000662515557 412201889 /nfs/dbraw/zinc/20/18/89/412201889.db2.gz WMIRVVQPLDWRBK-HBNTYKKESA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662514429 412202045 /nfs/dbraw/zinc/20/20/45/412202045.db2.gz KAAGCYLQNIODIV-CMPLNLGQSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000662520268 412202549 /nfs/dbraw/zinc/20/25/49/412202549.db2.gz HAUYOVMXBLLNNQ-QWRGUYRKSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000662520267 412203034 /nfs/dbraw/zinc/20/30/34/412203034.db2.gz HAUYOVMXBLLNNQ-MNOVXSKESA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC(C)(C)[NH+](C)C ZINC000662522565 412203976 /nfs/dbraw/zinc/20/39/76/412203976.db2.gz AKAVANAYMJROKM-SECBINFHSA-N 2 0 215.341 0.441 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000662526200 412205229 /nfs/dbraw/zinc/20/52/29/412205229.db2.gz VBJXAFRSTIAQKK-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000662539665 412208582 /nfs/dbraw/zinc/20/85/82/412208582.db2.gz HBKWPWNDDNTXHU-GUBZILKMSA-N 2 0 225.336 0.336 20 0 BCADRP O=C1CC[C@@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)N1 ZINC000665272953 412213211 /nfs/dbraw/zinc/21/32/11/412213211.db2.gz NVRVMNIEUKZGSD-QCNOEVLYSA-N 2 0 237.347 0.243 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662394993 412144380 /nfs/dbraw/zinc/14/43/80/412144380.db2.gz ALRBDPHJLBVQAB-ZJUUUORDSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCCNc1cc[nH+]cc1 ZINC000662395137 412144659 /nfs/dbraw/zinc/14/46/59/412144659.db2.gz QODXCQZVJCHNGF-LLVKDONJSA-N 2 0 236.319 0.030 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000662395106 412144891 /nfs/dbraw/zinc/14/48/91/412144891.db2.gz JFEBRBAXNNSWEY-NXEZZACHSA-N 2 0 225.336 0.243 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000662396327 412145428 /nfs/dbraw/zinc/14/54/28/412145428.db2.gz USAYEYRLPJYHRX-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CC1([NH3+])CC1 ZINC000662397780 412147188 /nfs/dbraw/zinc/14/71/88/412147188.db2.gz KHJFOIKRUNUEJK-ZJUUUORDSA-N 2 0 225.336 0.596 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000662398897 412147208 /nfs/dbraw/zinc/14/72/08/412147208.db2.gz KSEIFDVNAUBBKL-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000662397467 412147312 /nfs/dbraw/zinc/14/73/12/412147312.db2.gz FAOUMXDWLWXICG-LPEHRKFASA-N 2 0 213.325 0.323 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662398362 412147325 /nfs/dbraw/zinc/14/73/25/412147325.db2.gz VCUJLGRHPLZIFK-NSHDSACASA-N 2 0 229.368 0.723 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662398777 412147435 /nfs/dbraw/zinc/14/74/35/412147435.db2.gz BEZZYKOZYIPSJS-SNVBAGLBSA-N 2 0 227.352 0.490 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000662398898 412147532 /nfs/dbraw/zinc/14/75/32/412147532.db2.gz KSEIFDVNAUBBKL-ZJUUUORDSA-N 2 0 213.325 0.052 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000662402844 412150437 /nfs/dbraw/zinc/15/04/37/412150437.db2.gz PDIWJYAJZJARJT-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000662405607 412151444 /nfs/dbraw/zinc/15/14/44/412151444.db2.gz ZPMAILWHBRLGGS-KXUCPTDWSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277654 412215788 /nfs/dbraw/zinc/21/57/88/412215788.db2.gz HNDOBKNJDGTHRN-VOBJUBJWSA-N 2 0 209.337 0.278 20 0 BCADRP C[NH2+]CCNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662408883 412154488 /nfs/dbraw/zinc/15/44/88/412154488.db2.gz CFDOYCNTXDSNEM-UHFFFAOYSA-N 2 0 233.315 0.282 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000662411822 412155327 /nfs/dbraw/zinc/15/53/27/412155327.db2.gz AHSLQCMWEGVFRE-GHMZBOCLSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000662414420 412157123 /nfs/dbraw/zinc/15/71/23/412157123.db2.gz ZADNBFSBWJQBSN-GARJFASQSA-N 2 0 225.336 0.230 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000662414802 412157159 /nfs/dbraw/zinc/15/71/59/412157159.db2.gz DUQRGBVLIQKPHT-MNOVXSKESA-N 2 0 229.368 0.831 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCC2(C)C)CC[C@@H]1[NH3+] ZINC000662416574 412158671 /nfs/dbraw/zinc/15/86/71/412158671.db2.gz DBXOQAXETPLTNS-OUAUKWLOSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000662418839 412159496 /nfs/dbraw/zinc/15/94/96/412159496.db2.gz CFIWCRUVAZDXSW-NXEZZACHSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000662421529 412161627 /nfs/dbraw/zinc/16/16/27/412161627.db2.gz FGTMOLGAUNKKHC-AEJSXWLSSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000662420284 412161863 /nfs/dbraw/zinc/16/18/63/412161863.db2.gz SEXBVDATNWFZEW-UTLUCORTSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000662420830 412161920 /nfs/dbraw/zinc/16/19/20/412161920.db2.gz JVSVJQUEXUSWRJ-CMPLNLGQSA-N 2 0 241.379 0.851 20 0 BCADRP [NH3+]C[C@@H](NC(=O)c1cccc2c1C[NH2+]C2)C1CC1 ZINC000662422650 412162328 /nfs/dbraw/zinc/16/23/28/412162328.db2.gz YIRYFKOIJWSWRB-CYBMUJFWSA-N 2 0 245.326 0.757 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662422053 412162339 /nfs/dbraw/zinc/16/23/39/412162339.db2.gz HMHGHCCCWRNXBJ-CKYFFXLPSA-N 2 0 227.352 0.603 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)CC1([NH3+])CC1 ZINC000662423348 412162383 /nfs/dbraw/zinc/16/23/83/412162383.db2.gz GUAJPDRPXXOTBE-UHFFFAOYSA-N 2 0 211.309 0.078 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662423238 412162415 /nfs/dbraw/zinc/16/24/15/412162415.db2.gz FBIIDVBUURQKKS-MRVPVSSYSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@H]1C[NH3+] ZINC000662422356 412162644 /nfs/dbraw/zinc/16/26/44/412162644.db2.gz ICYDJIOGGXLLGD-NAKRPEOUSA-N 2 0 225.336 0.310 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000662422113 412162923 /nfs/dbraw/zinc/16/29/23/412162923.db2.gz ZIBAPCUMTNFRHA-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000662423680 412163031 /nfs/dbraw/zinc/16/30/31/412163031.db2.gz PBOHZSNABKPANB-MWLCHTKSSA-N 2 0 215.341 0.474 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000662426988 412165052 /nfs/dbraw/zinc/16/50/52/412165052.db2.gz JWZQRMOSLYXQHB-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000662427339 412165233 /nfs/dbraw/zinc/16/52/33/412165233.db2.gz GJCWOQFKXGEVIN-NSHDSACASA-N 2 0 229.368 0.816 20 0 BCADRP COC[C@H](CC[NH2+][C@@H](C)C1C[NH2+]C1)OC ZINC000665234459 412173426 /nfs/dbraw/zinc/17/34/26/412173426.db2.gz DCFOJQUUZKBGQH-ONGXEEELSA-N 2 0 216.325 0.235 20 0 BCADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])[C@@H]1CCOC1 ZINC000665235058 412173819 /nfs/dbraw/zinc/17/38/19/412173819.db2.gz OVSAGGIPULMWDB-WRWGMCAJSA-N 2 0 228.336 0.507 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](CO)C1CCC1 ZINC000665235112 412174513 /nfs/dbraw/zinc/17/45/13/412174513.db2.gz PXYRWPHOZKALBQ-NEPJUHHUSA-N 2 0 230.352 0.491 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CCCC1 ZINC000662647652 412254998 /nfs/dbraw/zinc/25/49/98/412254998.db2.gz BOZMXTULBOKFOC-ZYHUDNBSSA-N 2 0 237.347 0.374 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC1([NH3+])CCCC1 ZINC000662647750 412255641 /nfs/dbraw/zinc/25/56/41/412255641.db2.gz CSYODHAXYJEBEF-SNVBAGLBSA-N 2 0 227.352 0.762 20 0 BCADRP CC(C)[C@@H](C(=O)NCC1([NH3+])CCCC1)[C@@H](C)[NH3+] ZINC000662649816 412255927 /nfs/dbraw/zinc/25/59/27/412255927.db2.gz SLVZNIBUBNYWRR-GHMZBOCLSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000662650130 412256269 /nfs/dbraw/zinc/25/62/69/412256269.db2.gz VNSAPDLHABNBEC-UHFFFAOYSA-N 2 0 213.325 0.359 20 0 BCADRP [NH3+]C1(CNC(=O)C[NH2+]CC2CC2)CCCC1 ZINC000662650277 412257040 /nfs/dbraw/zinc/25/70/40/412257040.db2.gz YJBVHRPBUONHQL-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]([NH3+])c1ccccc1 ZINC000662675348 412267133 /nfs/dbraw/zinc/26/71/33/412267133.db2.gz LUHSJGIWFNOFNE-KSGYAGIASA-N 2 0 245.326 0.636 20 0 BCADRP C[NH+]1CCC(C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662683864 412269220 /nfs/dbraw/zinc/26/92/20/412269220.db2.gz WAEHBYXMKHBLIU-UHFFFAOYSA-N 2 0 237.347 0.278 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000662682318 412269245 /nfs/dbraw/zinc/26/92/45/412269245.db2.gz RGKPKEUNBGBSTD-DCAQKATOSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662693089 412273683 /nfs/dbraw/zinc/27/36/83/412273683.db2.gz ONHCINOXUSGXGS-SRVKXCTJSA-N 2 0 239.363 0.570 20 0 BCADRP Cc1nccn1CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662699898 412275359 /nfs/dbraw/zinc/27/53/59/412275359.db2.gz FHGWWWVLFINDGK-MGCOHNPYSA-N 2 0 222.292 0.045 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662701171 412275750 /nfs/dbraw/zinc/27/57/50/412275750.db2.gz NZPAEIJPLPYGKL-XYPYZODXSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CCC(n3ccnc3)CC2)C1 ZINC000662699663 412276078 /nfs/dbraw/zinc/27/60/78/412276078.db2.gz DADDMRDWBPQCOG-XYPYZODXSA-N 2 0 248.330 0.784 20 0 BCADRP C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000662703222 412276396 /nfs/dbraw/zinc/27/63/96/412276396.db2.gz HGRQIUIZNKYESH-YUSALJHKSA-N 2 0 239.363 0.570 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000662703509 412276576 /nfs/dbraw/zinc/27/65/76/412276576.db2.gz LBJZXNIAHCRHFX-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662713125 412280173 /nfs/dbraw/zinc/28/01/73/412280173.db2.gz UWSHWPSCPGOREM-DCAQKATOSA-N 2 0 225.336 0.276 20 0 BCADRP CC(C)[C@H](C(=O)NCC12CC(C1)C[NH2+]2)[C@H](C)[NH3+] ZINC000662718882 412282160 /nfs/dbraw/zinc/28/21/60/412282160.db2.gz RRUOGGBTYHMRRI-URAGZPLESA-N 2 0 239.363 0.474 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662723076 412283470 /nfs/dbraw/zinc/28/34/70/412283470.db2.gz DOHHYLJFDKAAFH-YZRBJQDESA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)CC[C@@H](C)[NH3+] ZINC000662731065 412286549 /nfs/dbraw/zinc/28/65/49/412286549.db2.gz XJBTYMCCQSYGCS-NXEZZACHSA-N 2 0 215.341 0.603 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000662730661 412286917 /nfs/dbraw/zinc/28/69/17/412286917.db2.gz LMWNYJMNSZDJKY-WDEREUQCSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000662730489 412287164 /nfs/dbraw/zinc/28/71/64/412287164.db2.gz GXKSFJNQRVLKKE-IVZWLZJFSA-N 2 0 215.341 0.459 20 0 BCADRP CC1([NH3+])CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000662556113 412216091 /nfs/dbraw/zinc/21/60/91/412216091.db2.gz LUAWNZFCJUXISU-ZJUUUORDSA-N 2 0 225.336 0.454 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](C)[NH3+] ZINC000662559143 412217187 /nfs/dbraw/zinc/21/71/87/412217187.db2.gz SKTBCZMMSVGXIO-UWVGGRQHSA-N 2 0 215.341 0.461 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662558464 412217835 /nfs/dbraw/zinc/21/78/35/412217835.db2.gz FYXJIALGJPVKPF-MRVPVSSYSA-N 2 0 219.288 0.367 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000662559470 412218144 /nfs/dbraw/zinc/21/81/44/412218144.db2.gz DHBYVFDWRVMKOB-GXSJLCMTSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000662564827 412219709 /nfs/dbraw/zinc/21/97/09/412219709.db2.gz YGPREYXRYYESFV-IJLUTSLNSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cccc2c1C[NH2+]C2 ZINC000662563357 412220101 /nfs/dbraw/zinc/22/01/01/412220101.db2.gz FQSBUHYGTNOQGJ-ZANVPECISA-N 2 0 245.326 0.852 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])C(F)F ZINC000662566361 412221068 /nfs/dbraw/zinc/22/10/68/412221068.db2.gz MPYWZZIKPJKULY-CSMHCCOUSA-N 2 0 235.278 0.213 20 0 BCADRP C[C@H]1C[C@@H](NCC23CC(C2)C[NH2+]3)CC[N@@H+]1C ZINC000665277762 412221358 /nfs/dbraw/zinc/22/13/58/412221358.db2.gz KVEANKJZDYRMEA-QCXCNERSSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665279844 412222860 /nfs/dbraw/zinc/22/28/60/412222860.db2.gz NMEJCWXQNBAGQB-QCXCNERSSA-N 2 0 223.364 0.716 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000662570006 412224106 /nfs/dbraw/zinc/22/41/06/412224106.db2.gz FFWFRCUZXWLUDK-NXEZZACHSA-N 2 0 213.325 0.228 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665281652 412225775 /nfs/dbraw/zinc/22/57/75/412225775.db2.gz JGJJONHETBHXHJ-NWDGAFQWSA-N 3 0 231.384 0.703 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665281653 412226445 /nfs/dbraw/zinc/22/64/45/412226445.db2.gz JGJJONHETBHXHJ-VXGBXAGGSA-N 3 0 231.384 0.703 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000662576392 412226746 /nfs/dbraw/zinc/22/67/46/412226746.db2.gz ZZOPZZAJXCCWSE-ZYHUDNBSSA-N 2 0 227.352 0.428 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)Cc1c[nH]cn1 ZINC000662584534 412228862 /nfs/dbraw/zinc/22/88/62/412228862.db2.gz CMDXHGSYYYPWMX-WPRPVWTQSA-N 2 0 224.308 0.742 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662593563 412233317 /nfs/dbraw/zinc/23/33/17/412233317.db2.gz PHUOUVXHQFNHRB-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662592391 412233446 /nfs/dbraw/zinc/23/34/46/412233446.db2.gz FUGYABKEJUPCGC-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662592385 412233814 /nfs/dbraw/zinc/23/38/14/412233814.db2.gz FUGYABKEJUPCGC-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP CC1(C)CC[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665293050 412237124 /nfs/dbraw/zinc/23/71/24/412237124.db2.gz PVHKCFWNWBBEQE-SECBINFHSA-N 2 0 236.319 0.919 20 0 BCADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]C2CCCC2)n1 ZINC000665290884 412237359 /nfs/dbraw/zinc/23/73/59/412237359.db2.gz NSYRRGAMXNGXNL-UHFFFAOYSA-N 2 0 222.292 0.673 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C)CC(C)(C)[NH3+] ZINC000662605006 412237626 /nfs/dbraw/zinc/23/76/26/412237626.db2.gz JBZOWBKVIYHHCG-QMMMGPOBSA-N 2 0 201.314 0.310 20 0 BCADRP CC1(C)CC[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665293051 412237649 /nfs/dbraw/zinc/23/76/49/412237649.db2.gz PVHKCFWNWBBEQE-VIFPVBQESA-N 2 0 236.319 0.919 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291567 412237745 /nfs/dbraw/zinc/23/77/45/412237745.db2.gz FWYJTOQRNQYORJ-JGVFFNPUSA-N 2 0 240.307 0.154 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662606071 412237851 /nfs/dbraw/zinc/23/78/51/412237851.db2.gz XWGFJAARPUNLLA-YUMQZZPRSA-N 2 0 201.314 0.165 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)c1coc(C[NH3+])c1 ZINC000662605354 412237997 /nfs/dbraw/zinc/23/79/97/412237997.db2.gz NIEJKOQQKVXQGG-UHFFFAOYSA-N 2 0 225.292 0.548 20 0 BCADRP CC[C@H]([NH2+][C@H](C)C[NH2+]C)[C@@H]1CCOC1 ZINC000665295623 412243473 /nfs/dbraw/zinc/24/34/73/412243473.db2.gz GRKPHDPTRUQROY-MXWKQRLJSA-N 2 0 200.326 0.999 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662619171 412244402 /nfs/dbraw/zinc/24/44/02/412244402.db2.gz JEFUGNBSWIVMGN-UWVGGRQHSA-N 2 0 227.352 0.583 20 0 BCADRP C[C@@H](CCNC(=O)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000662632379 412247016 /nfs/dbraw/zinc/24/70/16/412247016.db2.gz CRXKEBWXJKKSHJ-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])S(C)(=O)=O ZINC000665298832 412247837 /nfs/dbraw/zinc/24/78/37/412247837.db2.gz ALLXJMWPVRBGPO-BBBLOLIVSA-N 2 0 234.365 0.137 20 0 BCADRP C[C@@H](CCNC(=O)C[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000662629681 412248613 /nfs/dbraw/zinc/24/86/13/412248613.db2.gz AXVOBILSPYSQQS-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H](CCNC(=O)CCC[NH3+])[NH+](C)C ZINC000662632581 412249843 /nfs/dbraw/zinc/24/98/43/412249843.db2.gz FHUURZCCBJWQNW-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC[C@@H](C)[NH+](C)C ZINC000662632910 412249861 /nfs/dbraw/zinc/24/98/61/412249861.db2.gz HOKXSVARCHDQQV-NXEZZACHSA-N 2 0 215.341 0.570 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000662632571 412250137 /nfs/dbraw/zinc/25/01/37/412250137.db2.gz FADSTRDUWLUKSB-WDEREUQCSA-N 2 0 229.368 0.831 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC[C@H](C)[NH+](C)C ZINC000662632911 412250423 /nfs/dbraw/zinc/25/04/23/412250423.db2.gz HOKXSVARCHDQQV-UWVGGRQHSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000662633040 412251238 /nfs/dbraw/zinc/25/12/38/412251238.db2.gz IWSSYUQFGYOJFS-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000662793372 412305155 /nfs/dbraw/zinc/30/51/55/412305155.db2.gz GMOJYOJMZMHECN-TUAOUCFPSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)CC2([NH3+])CC2)C[C@H]1C[NH3+] ZINC000662816374 412309027 /nfs/dbraw/zinc/30/90/27/412309027.db2.gz AXKLMVRLUVAJAU-GMTAPVOTSA-N 2 0 239.363 0.700 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000662818806 412309484 /nfs/dbraw/zinc/30/94/84/412309484.db2.gz AVUWGCUIUCXHPY-YIZRAAEISA-N 2 0 201.314 0.226 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000662818413 412309685 /nfs/dbraw/zinc/30/96/85/412309685.db2.gz XIAATDXKZTUOKO-USZNOCQGSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000662820833 412311066 /nfs/dbraw/zinc/31/10/66/412311066.db2.gz LLPLFGJQJHDHEF-KXUCPTDWSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000662824501 412311995 /nfs/dbraw/zinc/31/19/95/412311995.db2.gz WEBCJGWJOXZHAZ-GHMZBOCLSA-N 2 0 239.363 0.775 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000662824350 412312095 /nfs/dbraw/zinc/31/20/95/412312095.db2.gz KQSQAZDBDRIFNF-GMTAPVOTSA-N 2 0 237.347 0.515 20 0 BCADRP [NH3+]C1(CC(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000662823524 412312126 /nfs/dbraw/zinc/31/21/26/412312126.db2.gz STYYDBUDWHWRPX-JTQLQIEISA-N 2 0 237.347 0.659 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662826339 412313035 /nfs/dbraw/zinc/31/30/35/412313035.db2.gz ZFXOCDBDBNIVDM-ACZMLEFUSA-N 2 0 237.347 0.454 20 0 BCADRP [NH3+]C1(CC(=O)N[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000662825776 412313215 /nfs/dbraw/zinc/31/32/15/412313215.db2.gz XXDNZXUUTPTAJW-SNVBAGLBSA-N 2 0 237.347 0.659 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000662827546 412313298 /nfs/dbraw/zinc/31/32/98/412313298.db2.gz WOOJOBWWHMZKMZ-UHFFFAOYSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000662830857 412313658 /nfs/dbraw/zinc/31/36/58/412313658.db2.gz WVCJIXLQKQKJRT-GRYCIOLGSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000662829000 412313870 /nfs/dbraw/zinc/31/38/70/412313870.db2.gz KEVNUMIGZBOTCC-OUAUKWLOSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000662834886 412314905 /nfs/dbraw/zinc/31/49/05/412314905.db2.gz XJXVNTKLGCCLCQ-VWYCJHECSA-N 2 0 243.351 0.077 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000662834885 412315127 /nfs/dbraw/zinc/31/51/27/412315127.db2.gz XJXVNTKLGCCLCQ-MXWKQRLJSA-N 2 0 243.351 0.077 20 0 BCADRP [NH3+]CCCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662838155 412316450 /nfs/dbraw/zinc/31/64/50/412316450.db2.gz MCIPNLXRLHLLKV-VXGBXAGGSA-N 2 0 239.363 0.858 20 0 BCADRP [NH3+]CCCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662838152 412316642 /nfs/dbraw/zinc/31/66/42/412316642.db2.gz MCIPNLXRLHLLKV-RYUDHWBXSA-N 2 0 239.363 0.858 20 0 BCADRP [NH3+]CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662836785 412316843 /nfs/dbraw/zinc/31/68/43/412316843.db2.gz DIAVDCPMSHNMSX-ZJUUUORDSA-N 2 0 211.309 0.078 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000662845474 412319459 /nfs/dbraw/zinc/31/94/59/412319459.db2.gz SGYUALLYVAORIT-SNVBAGLBSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]CC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662844826 412319812 /nfs/dbraw/zinc/31/98/12/412319812.db2.gz BHUYFAWSWPWGCN-NSHDSACASA-N 2 0 225.336 0.183 20 0 BCADRP C[C@H](CCNC(=O)c1c[nH+]ccc1N)[NH+](C)C ZINC000662857681 412326305 /nfs/dbraw/zinc/32/63/05/412326305.db2.gz CBYCKCPQTMGNTR-SECBINFHSA-N 2 0 236.319 0.564 20 0 BCADRP C[C@@H](CCNC(=O)[C@H]1C[C@H]([NH3+])C1)[NH+](C)C ZINC000662858239 412326313 /nfs/dbraw/zinc/32/63/13/412326313.db2.gz FOKIVGBTEJPIMZ-GUBZILKMSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000662860373 412328621 /nfs/dbraw/zinc/32/86/21/412328621.db2.gz RIZXYWCUSAYDCJ-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662864883 412329660 /nfs/dbraw/zinc/32/96/60/412329660.db2.gz WLTUNFUEUVRROH-SNVBAGLBSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NCC2([NH3+])CCCC2)C1 ZINC000662863345 412329664 /nfs/dbraw/zinc/32/96/64/412329664.db2.gz OVVGLMBMCPPTQU-QWRGUYRKSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662876548 412332968 /nfs/dbraw/zinc/33/29/68/412332968.db2.gz ZWZASRFTZYNIQN-JJOYANBFSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C[NH3+] ZINC000662887001 412336485 /nfs/dbraw/zinc/33/64/85/412336485.db2.gz RBNOLNCFEHKDAN-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[NH3+])[C@@H]1CCC[NH3+] ZINC000662890715 412337578 /nfs/dbraw/zinc/33/75/78/412337578.db2.gz NQSLOQMEZNEJLA-NXEZZACHSA-N 2 0 213.325 0.311 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663003452 412367497 /nfs/dbraw/zinc/36/74/97/412367497.db2.gz FZBDRSHUIFMDDU-NSHDSACASA-N 2 0 213.325 0.372 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)CCC(C)(C)[NH3+] ZINC000662924859 412347266 /nfs/dbraw/zinc/34/72/66/412347266.db2.gz JWTRMISUNYHELU-SNVBAGLBSA-N 2 0 229.368 0.994 20 0 BCADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CC[C@H]1F ZINC000662943911 412350735 /nfs/dbraw/zinc/35/07/35/412350735.db2.gz DRXKLXLSENIFIW-BBBLOLIVSA-N 2 0 229.299 0.026 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662944383 412350941 /nfs/dbraw/zinc/35/09/41/412350941.db2.gz MKMBGIUCHRVILT-IWSPIJDZSA-N 2 0 231.315 0.258 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)C[NH2+]C ZINC000662953952 412352441 /nfs/dbraw/zinc/35/24/41/412352441.db2.gz RRGVELSHVZRWFY-WPRPVWTQSA-N 2 0 201.314 0.228 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@H](C)C[NH2+]C ZINC000662966114 412352664 /nfs/dbraw/zinc/35/26/64/412352664.db2.gz PJTKALIDMGZZJE-SECBINFHSA-N 2 0 215.341 0.476 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000662953692 412353916 /nfs/dbraw/zinc/35/39/16/412353916.db2.gz OOVZCZUDZWQKPE-KOLCDFICSA-N 2 0 221.304 0.411 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000662954781 412354000 /nfs/dbraw/zinc/35/40/00/412354000.db2.gz ZRPPDHQHLQXMQH-HTQZYQBOSA-N 2 0 201.314 0.084 20 0 BCADRP C[C@]1(NC(=O)c2ccc(C[NH3+])o2)CC[NH2+]C1 ZINC000663003744 412367865 /nfs/dbraw/zinc/36/78/65/412367865.db2.gz IOBWFTWBWQOLEF-NSHDSACASA-N 2 0 223.276 0.220 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000662964385 412356956 /nfs/dbraw/zinc/35/69/56/412356956.db2.gz AHBXGSOOPILMNT-VHSXEESVSA-N 2 0 213.325 0.100 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]C ZINC000662965729 412357964 /nfs/dbraw/zinc/35/79/64/412357964.db2.gz MRJBZXPBZJYLLZ-SECBINFHSA-N 2 0 201.314 0.052 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000662965967 412358099 /nfs/dbraw/zinc/35/80/99/412358099.db2.gz UUXBHGQCTBCDQT-VIFPVBQESA-N 2 0 232.287 0.672 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000662966309 412358858 /nfs/dbraw/zinc/35/88/58/412358858.db2.gz XGHGYRCQTOELAX-ZJUUUORDSA-N 2 0 229.368 0.735 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000662967970 412358914 /nfs/dbraw/zinc/35/89/14/412358914.db2.gz DCPZBFPIGZJHRI-HOSYDEDBSA-N 2 0 225.336 0.100 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662968657 412359444 /nfs/dbraw/zinc/35/94/44/412359444.db2.gz FYDUTRBNVXPBKB-JTQLQIEISA-N 2 0 247.342 0.670 20 0 BCADRP C[C@H]([NH3+])C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662973124 412361664 /nfs/dbraw/zinc/36/16/64/412361664.db2.gz WTVXKWQORTTYJU-JTQLQIEISA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000662746804 412289813 /nfs/dbraw/zinc/28/98/13/412289813.db2.gz RSCMTRZIJKAIEY-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1C[C@H](N(C)C(=O)CC2([NH3+])CC2)CC[N@@H+]1C ZINC000662746227 412290116 /nfs/dbraw/zinc/29/01/16/412290116.db2.gz SBTFOVBRLNDWKA-GHMZBOCLSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC000662746708 412290380 /nfs/dbraw/zinc/29/03/80/412290380.db2.gz VXHIZEAKEDMTFN-GMTAPVOTSA-N 2 0 241.379 0.816 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCc1[nH]cnc1C ZINC000662753763 412291510 /nfs/dbraw/zinc/29/15/10/412291510.db2.gz WWRFUDSLBXZSKE-MRVPVSSYSA-N 2 0 210.281 0.332 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662756926 412292717 /nfs/dbraw/zinc/29/27/17/412292717.db2.gz JVSJOCAZGQHJLN-IUCAKERBSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662756919 412292795 /nfs/dbraw/zinc/29/27/95/412292795.db2.gz JHMXWYLCYDRLOB-SNVBAGLBSA-N 2 0 247.342 0.657 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662768397 412295829 /nfs/dbraw/zinc/29/58/29/412295829.db2.gz CDLJRLIWVNKFBR-OUAUKWLOSA-N 2 0 239.363 0.489 20 0 BCADRP [NH3+]C1(CC(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000662770342 412296807 /nfs/dbraw/zinc/29/68/07/412296807.db2.gz UMNMCGYMUYCFMY-VIFPVBQESA-N 2 0 211.309 0.126 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000662771539 412297138 /nfs/dbraw/zinc/29/71/38/412297138.db2.gz ZRVZKMZRZJLTJP-IUCAKERBSA-N 2 0 211.309 0.254 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000662770643 412297203 /nfs/dbraw/zinc/29/72/03/412297203.db2.gz PYAJEWQDNCJSQX-ZYUZMQFOSA-N 2 0 211.309 0.110 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662772979 412297311 /nfs/dbraw/zinc/29/73/11/412297311.db2.gz DIWPCHWPXFOQSJ-ZJUUUORDSA-N 2 0 227.352 0.489 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662774802 412297908 /nfs/dbraw/zinc/29/79/08/412297908.db2.gz RTRYPIGDBBDSJG-MRVPVSSYSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662773194 412298325 /nfs/dbraw/zinc/29/83/25/412298325.db2.gz HRDMPWMCMTUTPY-DCAQKATOSA-N 2 0 239.363 0.631 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)CC2([NH3+])CC2)CC1 ZINC000662781111 412299832 /nfs/dbraw/zinc/29/98/32/412299832.db2.gz UXWRFYUSKKFOFH-XYPYZODXSA-N 2 0 239.363 0.749 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)CC1([NH3+])CC1 ZINC000662782983 412300774 /nfs/dbraw/zinc/30/07/74/412300774.db2.gz CHLKXYJKPUPYKE-VIFPVBQESA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)C(F)(F)F ZINC000662785585 412301286 /nfs/dbraw/zinc/30/12/86/412301286.db2.gz YMLZDAZUTLRYAZ-ACZMJKKPSA-N 2 0 239.241 0.120 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662784689 412301372 /nfs/dbraw/zinc/30/13/72/412301372.db2.gz VRJGEFNXOJOPPN-RKDXNWHRSA-N 2 0 225.336 0.513 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000662793370 412304922 /nfs/dbraw/zinc/30/49/22/412304922.db2.gz GMOJYOJMZMHECN-SDDRHHMPSA-N 2 0 239.363 0.537 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663010630 412368926 /nfs/dbraw/zinc/36/89/26/412368926.db2.gz KVDMSOPBXUPDQB-GXSJLCMTSA-N 2 0 213.325 0.243 20 0 BCADRP C[C@@]1(NC(=O)[C@H]2CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC000663010025 412369116 /nfs/dbraw/zinc/36/91/16/412369116.db2.gz HMVSVCVSSPVVKE-ZYHUDNBSSA-N 2 0 237.347 0.244 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663010960 412369987 /nfs/dbraw/zinc/36/99/87/412369987.db2.gz MWEMSPZHJBTMHT-JFGNBEQYSA-N 2 0 225.336 0.243 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663011298 412370303 /nfs/dbraw/zinc/37/03/03/412370303.db2.gz OUNGGUOSWCVGEF-NSHDSACASA-N 2 0 213.325 0.196 20 0 BCADRP C[C@@]1(NC(=O)c2cccc3c2C[NH2+]C3)CC[NH2+]C1 ZINC000663013960 412371212 /nfs/dbraw/zinc/37/12/12/412371212.db2.gz HWEXVZIWFNNHQN-CQSZACIVSA-N 2 0 245.326 0.772 20 0 BCADRP CCn1cc(CN2CC[C@@H](C[NH3+])C2)cn1 ZINC000050541315 172163936 /nfs/dbraw/zinc/16/39/36/172163936.db2.gz FXEWWOVLNVGDEZ-JTQLQIEISA-N 2 0 208.309 0.684 20 0 BCADRP CN(C(=O)CN1CCC[C@H](C[NH3+])C1)C1CC1 ZINC000049305744 172308543 /nfs/dbraw/zinc/30/85/43/172308543.db2.gz VIIUUFJYRJCPSL-SNVBAGLBSA-N 2 0 225.336 0.278 20 0 BCADRP CN(C(=O)C[NH2+]CC1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000364652639 172310236 /nfs/dbraw/zinc/31/02/36/172310236.db2.gz IAUFXFRAYFKYBN-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP CN(C(=O)[C@@H]1CCCCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000364465192 172326511 /nfs/dbraw/zinc/32/65/11/172326511.db2.gz JBWIDWGJLYDHCR-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP CN(C)C(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037751803 172359940 /nfs/dbraw/zinc/35/99/40/172359940.db2.gz QSXHPBUHQFYNSZ-YOGCLGLASA-N 2 0 239.363 0.680 20 0 BCADRP CN(C)C(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000309435400 172363432 /nfs/dbraw/zinc/36/34/32/172363432.db2.gz KFCLSFFZXIKHPO-UHFFFAOYSA-N 2 0 225.336 0.150 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C1([NH3+])CCCC1 ZINC000040807264 172393491 /nfs/dbraw/zinc/39/34/91/172393491.db2.gz RVAWGMWFWBNWPL-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)CCC[NH3+] ZINC000040807146 172393739 /nfs/dbraw/zinc/39/37/39/172393739.db2.gz GJTWUHYIUBFLRH-UHFFFAOYSA-N 2 0 201.314 0.182 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000134538534 172394241 /nfs/dbraw/zinc/39/42/41/172394241.db2.gz ZNONNTOKGRLWNA-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364565334 172394971 /nfs/dbraw/zinc/39/49/71/172394971.db2.gz ZBJQSZJAJKTTPJ-GXFFZTMASA-N 2 0 239.363 0.442 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000309205966 172395559 /nfs/dbraw/zinc/39/55/59/172395559.db2.gz PXPAJWKOFYYPIW-ZETCQYMHSA-N 2 0 237.294 0.425 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000036192165 172405201 /nfs/dbraw/zinc/40/52/01/172405201.db2.gz VKFMCJWMEVQSQE-NSHDSACASA-N 2 0 225.336 0.291 20 0 BCADRP C[NH+](C)CC[C@H](NC(=O)CC[NH3+])C(C)(C)C ZINC000236986109 172476951 /nfs/dbraw/zinc/47/69/51/172476951.db2.gz HURMCYQXWHELAC-JTQLQIEISA-N 2 0 229.368 0.818 20 0 BCADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CC[NH2+]1 ZINC000335522129 172983870 /nfs/dbraw/zinc/98/38/70/172983870.db2.gz ROHWKBWUISFVOS-LLVKDONJSA-N 2 0 225.336 0.149 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@H]([NH3+])CC(F)F)CC1 ZINC000310363679 172986014 /nfs/dbraw/zinc/98/60/14/172986014.db2.gz LGMPKWCCEPWJQM-SECBINFHSA-N 2 0 249.305 0.427 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCOCC2)CC1 ZINC000356676884 172999067 /nfs/dbraw/zinc/99/90/67/172999067.db2.gz DCAPUJSECTVENH-GFCCVEGCSA-N 2 0 242.363 0.602 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055086425 173011954 /nfs/dbraw/zinc/01/19/54/173011954.db2.gz USUVLJMZWRZAEG-NEPJUHHUSA-N 2 0 239.363 0.668 20 0 BCADRP C[N@@H+]1CCCN(C(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000134474968 173012538 /nfs/dbraw/zinc/01/25/38/173012538.db2.gz NRYGGEVPJODWTJ-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000040673627 173020496 /nfs/dbraw/zinc/02/04/96/173020496.db2.gz WIYWQBUDWVLFPJ-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000333755443 173029949 /nfs/dbraw/zinc/02/99/49/173029949.db2.gz AQDFJSTWGBRMMW-GHMZBOCLSA-N 2 0 240.351 0.117 20 0 BCADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3COC[C@@H]3O)CC[C@@H]21 ZINC000310212400 173036196 /nfs/dbraw/zinc/03/61/96/173036196.db2.gz HCJCTDSGZZUSMI-XQHKEYJVSA-N 2 0 240.347 0.162 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+](CCO)C1CC1 ZINC000305115250 173049441 /nfs/dbraw/zinc/04/94/41/173049441.db2.gz JWHIGELVCQWXPE-NSHDSACASA-N 2 0 212.337 0.927 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](CO)C1 ZINC000305621776 173053974 /nfs/dbraw/zinc/05/39/74/173053974.db2.gz IGSPECDIAYJOTE-RYUDHWBXSA-N 2 0 212.337 0.785 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](CC(N)=O)C1 ZINC000377505926 173054550 /nfs/dbraw/zinc/05/45/50/173054550.db2.gz QWOYMGNZLHAJIA-RYUDHWBXSA-N 2 0 239.363 0.668 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000082284252 173057301 /nfs/dbraw/zinc/05/73/01/173057301.db2.gz AAMSQRCWCWTIRO-ZDUSSCGKSA-N 2 0 247.342 0.969 20 0 BCADRP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000336632471 173114504 /nfs/dbraw/zinc/11/45/04/173114504.db2.gz CAWUWUIGPHGTIR-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000037647111 173115460 /nfs/dbraw/zinc/11/54/60/173115460.db2.gz QCJWPXVHLIGUBM-WCQYABFASA-N 2 0 247.342 0.754 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000134505156 173116206 /nfs/dbraw/zinc/11/62/06/173116206.db2.gz BCIHCFKUGXWGME-NEPJUHHUSA-N 2 0 239.363 0.444 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000062855958 173116458 /nfs/dbraw/zinc/11/64/58/173116458.db2.gz GLLMLBMRASTLMW-AAEUAGOBSA-N 2 0 239.363 0.444 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336450901 173139998 /nfs/dbraw/zinc/13/99/98/173139998.db2.gz IHFLTLGCOSEQEO-CYBMUJFWSA-N 2 0 239.363 0.492 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000037647104 173145384 /nfs/dbraw/zinc/14/53/84/173145384.db2.gz ICLFUDYCUXWCEB-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000250555747 173145745 /nfs/dbraw/zinc/14/57/45/173145745.db2.gz BCIHCFKUGXWGME-NWDGAFQWSA-N 2 0 239.363 0.444 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000308845695 173281705 /nfs/dbraw/zinc/28/17/05/173281705.db2.gz AAZMSGHXMYCTPK-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1CCCN(C)[C@H]1C ZINC000336762846 173282685 /nfs/dbraw/zinc/28/26/85/173282685.db2.gz LUUWEZFUMLDAQX-GARJFASQSA-N 2 0 227.352 0.583 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000308941281 173282808 /nfs/dbraw/zinc/28/28/08/173282808.db2.gz MGEBCRZZVJUYPP-KXUCPTDWSA-N 2 0 213.325 0.051 20 0 BCADRP CNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000226438241 173297854 /nfs/dbraw/zinc/29/78/54/173297854.db2.gz JECWZALUGMHDSD-VXGBXAGGSA-N 2 0 239.363 0.444 20 0 BCADRP CNC(=O)[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000250397375 173299139 /nfs/dbraw/zinc/29/91/39/173299139.db2.gz RIORFFPCVVBEKT-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000371263363 173326801 /nfs/dbraw/zinc/32/68/01/173326801.db2.gz XWAGAMMZCPNGCH-QWRGUYRKSA-N 2 0 225.336 0.291 20 0 BCADRP C[NH2+]CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000237206438 173327557 /nfs/dbraw/zinc/32/75/57/173327557.db2.gz BKFVCLOBFPRCME-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP C[NH2+]CC(=O)NCCC[NH+]1CCCCCC1 ZINC000237221572 173328554 /nfs/dbraw/zinc/32/85/54/173328554.db2.gz DZPUTEXZJICURO-UHFFFAOYSA-N 2 0 227.352 0.588 20 0 BCADRP C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000040768277 173328608 /nfs/dbraw/zinc/32/86/08/173328608.db2.gz SZNHHEMABNYSKN-UHFFFAOYSA-N 2 0 213.325 0.198 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000038029501 173329225 /nfs/dbraw/zinc/32/92/25/173329225.db2.gz AICSBSAIFQHFQK-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[NH2+]CC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040670576 173330279 /nfs/dbraw/zinc/33/02/79/173330279.db2.gz HEHFASOARAUEDW-WCQYABFASA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CC(=O)NCc1ccccc1C[NH+](C)C ZINC000040855267 173330588 /nfs/dbraw/zinc/33/05/88/173330588.db2.gz LZFNLSKVIWEJQB-UHFFFAOYSA-N 2 0 235.331 0.584 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000237342092 173338243 /nfs/dbraw/zinc/33/82/43/173338243.db2.gz JIRAXTCFMIAFEC-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000063166197 173338709 /nfs/dbraw/zinc/33/87/09/173338709.db2.gz FKFICAUYJMWMNN-SNVBAGLBSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]CCC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000052062653 173339475 /nfs/dbraw/zinc/33/94/75/173339475.db2.gz MPLSXJZYKDYUSC-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH2+]CCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000367649696 173339479 /nfs/dbraw/zinc/33/94/79/173339479.db2.gz WJXJCPACKJEGAL-JTQLQIEISA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]CCC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000309547317 173339481 /nfs/dbraw/zinc/33/94/81/173339481.db2.gz CCXZDTVJYDFUIV-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[NH2+]CCC(=O)N(CC[NH+](C)C)CC(C)C ZINC000043605394 173339556 /nfs/dbraw/zinc/33/95/56/173339556.db2.gz WYTCOTVAQAIGCD-UHFFFAOYSA-N 2 0 229.368 0.642 20 0 BCADRP C[NH2+]CCC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000367648673 173339595 /nfs/dbraw/zinc/33/95/95/173339595.db2.gz KXFVWIFFSIZMGF-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000357252279 173339609 /nfs/dbraw/zinc/33/96/09/173339609.db2.gz WBPCZIIDKVMUPN-NSHDSACASA-N 2 0 225.336 0.291 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000094447132 173339742 /nfs/dbraw/zinc/33/97/42/173339742.db2.gz JMJFHXRVRXOZCI-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000375931866 173340257 /nfs/dbraw/zinc/34/02/57/173340257.db2.gz DSDAUXZPZVVBSR-QWHCGFSZSA-N 2 0 247.342 0.549 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000357235583 173340441 /nfs/dbraw/zinc/34/04/41/173340441.db2.gz DFQXHXYKTPMTIU-LBPRGKRZSA-N 2 0 241.379 0.690 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000357225461 173340455 /nfs/dbraw/zinc/34/04/55/173340455.db2.gz NIKVAQWUVKKLEY-JTQLQIEISA-N 2 0 229.368 0.688 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250750938 173341193 /nfs/dbraw/zinc/34/11/93/173341193.db2.gz OZLZMOJIMVOWRD-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]CCC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000336741968 173341630 /nfs/dbraw/zinc/34/16/30/173341630.db2.gz NUANHEMVXZOTJO-NSHDSACASA-N 2 0 215.341 0.476 20 0 BCADRP C[NH2+]CCCC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000368418237 173342685 /nfs/dbraw/zinc/34/26/85/173342685.db2.gz DNOWAJOSEGIZPW-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]CCCC(=O)NCCCC[NH+](C)C ZINC000041679618 173343892 /nfs/dbraw/zinc/34/38/92/173343892.db2.gz NTUVHEYJOPMYGQ-UHFFFAOYSA-N 2 0 215.341 0.444 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000369914726 173343951 /nfs/dbraw/zinc/34/39/51/173343951.db2.gz XVDDBADFOAISOU-QJPTWQEYSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]CCCC(=O)NCCC[NH+]1CCCC1 ZINC000037477663 173343991 /nfs/dbraw/zinc/34/39/91/173343991.db2.gz IVKCEUKLMNESFK-UHFFFAOYSA-N 2 0 227.352 0.588 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000237206356 173344350 /nfs/dbraw/zinc/34/43/50/173344350.db2.gz BNSVYHFQYOKWLS-NSHDSACASA-N 2 0 215.341 0.476 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000038029525 173344606 /nfs/dbraw/zinc/34/46/06/173344606.db2.gz PTIHRXJWPXECOF-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484928 173344638 /nfs/dbraw/zinc/34/46/38/173344638.db2.gz ODMGFKKHXYDILT-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000237176074 173344811 /nfs/dbraw/zinc/34/48/11/173344811.db2.gz IFTDMHDIJIAKDZ-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000237217397 173345503 /nfs/dbraw/zinc/34/55/03/173345503.db2.gz IQJZOSRFTMQQPE-QWRGUYRKSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000309509161 173345635 /nfs/dbraw/zinc/34/56/35/173345635.db2.gz WSXUHFCIJWWFIL-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000124622577 173346492 /nfs/dbraw/zinc/34/64/92/173346492.db2.gz LTWJYNJDIVQZIA-CYBMUJFWSA-N 2 0 249.358 0.624 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000309630737 173346803 /nfs/dbraw/zinc/34/68/03/173346803.db2.gz KHGOXBUTAAELQS-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP C[NH2+]CCCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000121426324 173347347 /nfs/dbraw/zinc/34/73/47/173347347.db2.gz BPMJYZPAXBWGCK-YOGCLGLASA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000083362641 173348106 /nfs/dbraw/zinc/34/81/06/173348106.db2.gz LTVUYQFGQOFOCR-LBPRGKRZSA-N 2 0 235.331 0.721 20 0 BCADRP C[NH2+]CCCNC(=O)c1c[nH+]ccc1N ZINC000187169943 173348944 /nfs/dbraw/zinc/34/89/44/173348944.db2.gz AWTORNGJEUWWSH-UHFFFAOYSA-N 2 0 208.265 0.003 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000377126195 173348973 /nfs/dbraw/zinc/34/89/73/173348973.db2.gz JDARYMWKNDEDBH-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCN(C)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000372906420 173351396 /nfs/dbraw/zinc/35/13/96/173351396.db2.gz OFUAURUGOLCKNY-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]([NH3+])c1ccccc1C ZINC000295190860 173351764 /nfs/dbraw/zinc/35/17/64/173351764.db2.gz XFMISKFKHWNRMM-LBPRGKRZSA-N 2 0 235.331 0.673 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000372433859 173351970 /nfs/dbraw/zinc/35/19/70/173351970.db2.gz QRFZFKOOUZQTKK-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000070304874 173352310 /nfs/dbraw/zinc/35/23/10/173352310.db2.gz XRPCADMHEBKFEA-ZDUSSCGKSA-N 2 0 235.331 0.538 20 0 BCADRP C[NH2+]CCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000184131774 173354809 /nfs/dbraw/zinc/35/48/09/173354809.db2.gz AIMDXYWHUZTKMC-UHFFFAOYSA-N 2 0 227.352 0.621 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000363524451 173362443 /nfs/dbraw/zinc/36/24/43/173362443.db2.gz VKBFNMLLZZOZFX-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000336522115 173362681 /nfs/dbraw/zinc/36/26/81/173362681.db2.gz SYRYPTAJKZVSHZ-DGCLKSJQSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000357356574 173362947 /nfs/dbraw/zinc/36/29/47/173362947.db2.gz RJEZHXYIBJOLAV-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000092136851 173363595 /nfs/dbraw/zinc/36/35/95/173363595.db2.gz VQNBTCXWEQNFPR-NWDGAFQWSA-N 2 0 241.379 0.690 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(CC(=O)NCC2CC2)C1 ZINC000040598588 173368395 /nfs/dbraw/zinc/36/83/95/173368395.db2.gz JTNJVCVYWGVLPU-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1CCn1cccn1 ZINC000042390603 173368589 /nfs/dbraw/zinc/36/85/89/173368589.db2.gz GKSNUMVZDGILQB-NSHDSACASA-N 2 0 208.309 0.567 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364158109 173369125 /nfs/dbraw/zinc/36/91/25/173369125.db2.gz STQWSUAKNSPCCE-DMDPSCGWSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CCOCCOC)C1 ZINC000053033881 173370604 /nfs/dbraw/zinc/37/06/04/173370604.db2.gz SJXJGOCHLFVLBT-NSHDSACASA-N 2 0 216.325 0.191 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000234407060 173370639 /nfs/dbraw/zinc/37/06/39/173370639.db2.gz CCXWOSVGSYBAKA-NEPJUHHUSA-N 2 0 212.337 0.954 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000366933990 173372057 /nfs/dbraw/zinc/37/20/57/173372057.db2.gz NCCYWXVTVMAYEL-IMSYWVGJSA-N 2 0 231.315 0.128 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000364185406 173373866 /nfs/dbraw/zinc/37/38/66/173373866.db2.gz GJSKZDUZOFTWQM-GMXVVIOVSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000237326884 173373886 /nfs/dbraw/zinc/37/38/86/173373886.db2.gz OPTBXZBYTIPYGQ-GXSJLCMTSA-N 2 0 227.352 0.298 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000364185407 173374049 /nfs/dbraw/zinc/37/40/49/173374049.db2.gz GJSKZDUZOFTWQM-GVXVVHGQSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227457006 173374197 /nfs/dbraw/zinc/37/41/97/173374197.db2.gz FYJQDRFOWVEZEX-SRVKXCTJSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367370352 173375159 /nfs/dbraw/zinc/37/51/59/173375159.db2.gz CPJWSWXSDNSPDC-VIFPVBQESA-N 2 0 248.330 0.521 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000353181428 173375324 /nfs/dbraw/zinc/37/53/24/173375324.db2.gz FBCDTOGFGTYQSL-TUAOUCFPSA-N 2 0 241.379 0.592 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000353181417 173375657 /nfs/dbraw/zinc/37/56/57/173375657.db2.gz FBCDTOGFGTYQSL-QJPTWQEYSA-N 2 0 241.379 0.592 20 0 BCADRP C[NH2+]C[C@H]1CCCN(CC(=O)NCC(C)C)C1 ZINC000040601178 173379059 /nfs/dbraw/zinc/37/90/59/173379059.db2.gz QOLYRYQZDNNQGZ-GFCCVEGCSA-N 2 0 241.379 0.690 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)COC)C1 ZINC000053199457 173379210 /nfs/dbraw/zinc/37/92/10/173379210.db2.gz PHXWYSLJSOAZLF-GHMZBOCLSA-N 2 0 200.326 0.953 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC000237212327 173379390 /nfs/dbraw/zinc/37/93/90/173379390.db2.gz ISAINIKVSFPRQF-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]C[C@H]1CCN(CC(=O)NC(C)C)C1 ZINC000070799838 173380704 /nfs/dbraw/zinc/38/07/04/173380704.db2.gz ZKAZIYDCEVVHTF-SNVBAGLBSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC000053031619 173382196 /nfs/dbraw/zinc/38/21/96/173382196.db2.gz BQWVGTLOWZYGQZ-LLVKDONJSA-N 2 0 208.309 0.424 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000309485924 173415737 /nfs/dbraw/zinc/41/57/37/173415737.db2.gz GKVYNIVMOXTGPK-UWVGGRQHSA-N 2 0 213.325 0.243 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H](C[NH3+])C(C)C)C1 ZINC000340641209 173461057 /nfs/dbraw/zinc/46/10/57/173461057.db2.gz CDDMBQGGFYMDJH-QWRGUYRKSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@H](C[NH3+])C(C)C)C1 ZINC000340641212 173461413 /nfs/dbraw/zinc/46/14/13/173461413.db2.gz CDDMBQGGFYMDJH-WDEREUQCSA-N 2 0 227.352 0.428 20 0 BCADRP COCC(C)(C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000336705892 174072853 /nfs/dbraw/zinc/07/28/53/174072853.db2.gz LHNRYAZMMAIVTM-GFCCVEGCSA-N 2 0 244.379 0.705 20 0 BCADRP COCC(C)(C)C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000309543770 174073742 /nfs/dbraw/zinc/07/37/42/174073742.db2.gz GKVJCAZUHMEYJD-GFCCVEGCSA-N 2 0 232.368 0.561 20 0 BCADRP COCCCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309037636 174179753 /nfs/dbraw/zinc/17/97/53/174179753.db2.gz JDPCAFKVLZJVOZ-TXEJJXNPSA-N 2 0 212.337 0.954 20 0 BCADRP COCCC[N@H+](CCC[NH3+])CCOC ZINC000042408686 174222227 /nfs/dbraw/zinc/22/22/27/174222227.db2.gz GAYSWHRSWIEOJM-UHFFFAOYSA-N 2 0 204.314 0.320 20 0 BCADRP COCCC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000360252606 174260168 /nfs/dbraw/zinc/26/01/68/174260168.db2.gz WQYXNFFUGPPLTC-OLZOCXBDSA-N 2 0 244.379 0.848 20 0 BCADRP COCC[N@H+](C)CCC[NH2+]C1CCC(O)CC1 ZINC000353466304 174274950 /nfs/dbraw/zinc/27/49/50/174274950.db2.gz YDAUZGKPQSJSTM-UHFFFAOYSA-N 2 0 244.379 0.848 20 0 BCADRP COCC[NH+](CCOC)CCC1CC[NH2+]CC1 ZINC000042442720 174296218 /nfs/dbraw/zinc/29/62/18/174296218.db2.gz AWGJSYVZDVOLLG-UHFFFAOYSA-N 2 0 244.379 0.971 20 0 BCADRP COCCOCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000070481622 174351714 /nfs/dbraw/zinc/35/17/14/174351714.db2.gz HERXDKJIIATUMA-FUNVUKJBSA-N 2 0 242.363 0.864 20 0 BCADRP COCCOCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070028374 174354046 /nfs/dbraw/zinc/35/40/46/174354046.db2.gz LDPMLGZGXMBWNW-LBPRGKRZSA-N 2 0 230.352 0.710 20 0 BCADRP COCCOCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228476305 174354490 /nfs/dbraw/zinc/35/44/90/174354490.db2.gz DFDJBXITIMRTCS-YNEHKIRRSA-N 2 0 242.363 0.709 20 0 BCADRP COCCOCCN1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000377112481 174355670 /nfs/dbraw/zinc/35/56/70/174355670.db2.gz GACRGAINNPZJEG-QWHCGFSZSA-N 2 0 242.363 0.675 20 0 BCADRP COCC[C@@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000302339167 174389439 /nfs/dbraw/zinc/38/94/39/174389439.db2.gz UPTGYLUTVYQTHG-ZDUSSCGKSA-N 2 0 244.379 0.846 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000300025014 174561862 /nfs/dbraw/zinc/56/18/62/174561862.db2.gz PGSNSXXNNVOSCZ-RWMBFGLXSA-N 2 0 244.379 0.881 20 0 BCADRP C[C@@H](CO)CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000228357328 487629386 /nfs/dbraw/zinc/62/93/86/487629386.db2.gz QTPNHHDOFGVPRH-OLZOCXBDSA-N 2 0 244.379 0.441 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000357188542 175705796 /nfs/dbraw/zinc/70/57/96/175705796.db2.gz MIFDQNKOAZHPGF-LBPRGKRZSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@@H](CNC(=O)C(C)(C)C[NH3+])[NH+](C)C ZINC000045108015 175720980 /nfs/dbraw/zinc/72/09/80/175720980.db2.gz PROBTVHUIHZLKD-QMMMGPOBSA-N 2 0 201.314 0.038 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000336888022 175804494 /nfs/dbraw/zinc/80/44/94/175804494.db2.gz DSVZWWRJFZNBAE-LLVKDONJSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H](O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000035601382 175982707 /nfs/dbraw/zinc/98/27/07/175982707.db2.gz RIKFNDWLTBDHAJ-NXEZZACHSA-N 2 0 200.326 0.687 20 0 BCADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000077302140 176019796 /nfs/dbraw/zinc/01/97/96/176019796.db2.gz SUZKZFIPYJKDMC-CMPLNLGQSA-N 2 0 208.305 0.999 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CC[NH3+] ZINC000019267240 176071973 /nfs/dbraw/zinc/07/19/73/176071973.db2.gz CZKVWBXURVWVOT-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[NH3+] ZINC000237677702 176072352 /nfs/dbraw/zinc/07/23/52/176072352.db2.gz BRTFEPKMAKJZLQ-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP C[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000020179812 176097709 /nfs/dbraw/zinc/09/77/09/176097709.db2.gz CTXRXLFTEGDBCM-GFCCVEGCSA-N 2 0 211.353 0.624 20 0 BCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C1([NH3+])CC1 ZINC000237543870 176099029 /nfs/dbraw/zinc/09/90/29/176099029.db2.gz NBWWPAZRYQPODY-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](CNC(=O)C[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000237401470 176103703 /nfs/dbraw/zinc/10/37/03/176103703.db2.gz REQCWXWOZUWGGD-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C1([NH3+])CC1 ZINC000353575898 176115197 /nfs/dbraw/zinc/11/51/97/176115197.db2.gz GAUHKCQCDGERLP-GHMZBOCLSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1CCN(C(=O)CCC[NH3+])[C@H](C[NH3+])C1 ZINC000340159794 176155467 /nfs/dbraw/zinc/15/54/67/176155467.db2.gz KPSDZBQDRGSXOZ-ZJUUUORDSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000186781617 176186422 /nfs/dbraw/zinc/18/64/22/176186422.db2.gz PEKWPOJJCYFUDV-ZWNOBZJWSA-N 2 0 247.342 0.873 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000367509400 176187056 /nfs/dbraw/zinc/18/70/56/176187056.db2.gz ZCCZLRZWMCRNER-MWGHHZFTSA-N 2 0 243.326 0.191 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]1CC12C[NH2+]C2 ZINC000375967071 176187286 /nfs/dbraw/zinc/18/72/86/176187286.db2.gz AENZHVXVWKOMBJ-ZNSHCXBVSA-N 2 0 237.347 0.099 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000357292442 176187340 /nfs/dbraw/zinc/18/73/40/176187340.db2.gz GETPHWHCKYJVTD-LZQZFOIKSA-N 2 0 239.363 0.617 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000357292447 176187669 /nfs/dbraw/zinc/18/76/69/176187669.db2.gz GETPHWHCKYJVTD-PZWNZHSQSA-N 2 0 239.363 0.617 20 0 BCADRP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC[NH2+]C1CC1 ZINC000042438672 176196850 /nfs/dbraw/zinc/19/68/50/176196850.db2.gz IIOYNAWEUYFHOI-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C[NH2+]1 ZINC000336519601 176243394 /nfs/dbraw/zinc/24/33/94/176243394.db2.gz LUUUHMISXXZGEF-GHMZBOCLSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)[C@H](C)C[NH2+]1 ZINC000356343310 176247873 /nfs/dbraw/zinc/24/78/73/176247873.db2.gz JYIKJYCETVDRBY-GMTAPVOTSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC000333498281 176252448 /nfs/dbraw/zinc/25/24/48/176252448.db2.gz FBRKREDIHAGJSP-GMTAPVOTSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCCC[NH2+]2)CC[NH2+]1 ZINC000364466251 176254666 /nfs/dbraw/zinc/25/46/66/176254666.db2.gz LLPYIHZLJDQWCK-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]1CN(C)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000108356769 176267551 /nfs/dbraw/zinc/26/75/51/176267551.db2.gz NUVGIMCXALLFRY-LLVKDONJSA-N 2 0 211.353 0.622 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000362375780 176270681 /nfs/dbraw/zinc/27/06/81/176270681.db2.gz MFKXOAYZFLRGRN-NEPJUHHUSA-N 2 0 239.363 0.348 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H]1CC[NH+](C)C1 ZINC000362585020 176272293 /nfs/dbraw/zinc/27/22/93/176272293.db2.gz AYBMAQYUSVADMC-WOPDTQHZSA-N 2 0 239.363 0.252 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000336748660 176272768 /nfs/dbraw/zinc/27/27/68/176272768.db2.gz DLDIBRHFEJELAE-NEPJUHHUSA-N 2 0 213.369 0.868 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000362498296 176275840 /nfs/dbraw/zinc/27/58/40/176275840.db2.gz LLIMYRNIYVSNCS-OUAUKWLOSA-N 2 0 227.352 0.250 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000341454399 176276154 /nfs/dbraw/zinc/27/61/54/176276154.db2.gz MVUQLVSUUUOUAV-GHMZBOCLSA-N 2 0 241.379 0.641 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000362498294 176276393 /nfs/dbraw/zinc/27/63/93/176276393.db2.gz LLIMYRNIYVSNCS-GMTAPVOTSA-N 2 0 227.352 0.250 20 0 BCADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000309771426 176285677 /nfs/dbraw/zinc/28/56/77/176285677.db2.gz KNVPLRFXWKCQTQ-PWSUYJOCSA-N 3 0 211.353 0.655 20 0 BCADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000246572433 176323590 /nfs/dbraw/zinc/32/35/90/176323590.db2.gz SSHLECNLALBECW-WOPDTQHZSA-N 2 0 237.347 0.434 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000124715316 176325355 /nfs/dbraw/zinc/32/53/55/176325355.db2.gz HMZFCKCZQXZQBZ-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1COCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000300859992 176344508 /nfs/dbraw/zinc/34/45/08/176344508.db2.gz NKAYJSVEMJZNGO-VXGBXAGGSA-N 2 0 230.352 0.579 20 0 BCADRP C[C@@H]1CSC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000309457667 176355604 /nfs/dbraw/zinc/35/56/04/176355604.db2.gz NZNWMGZEQSUTRU-GRYCIOLGSA-N 2 0 244.404 0.784 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000237506744 176372411 /nfs/dbraw/zinc/37/24/11/176372411.db2.gz DHBLBGZYCREHLC-RKDXNWHRSA-N 2 0 225.336 0.465 20 0 BCADRP C[C@@H]1C[C@@H](NC[C@@]2(O)CC[NH+](C)C2)CC[N@@H+]1C ZINC000358259721 176376127 /nfs/dbraw/zinc/37/61/27/176376127.db2.gz USEWWZSHMVCCSK-AGIUHOORSA-N 2 0 241.379 0.125 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333647618 176459005 /nfs/dbraw/zinc/45/90/05/176459005.db2.gz VHVIEJQGGWPCJE-GARJFASQSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@]1(C(=O)NC2CCC([NH3+])CC2)CC[NH2+]C1 ZINC000062903693 176524279 /nfs/dbraw/zinc/52/42/79/176524279.db2.gz JRUIFOCQJBPAKX-RTYFJBAXSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@]1(C(=O)N[C@H]2CCC[NH2+]C2)CCCC[NH2+]1 ZINC000237515128 176526795 /nfs/dbraw/zinc/52/67/95/176526795.db2.gz PFBIFGWMVPGZHQ-JQWIXIFHSA-N 2 0 225.336 0.387 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000373028082 176660036 /nfs/dbraw/zinc/66/00/36/176660036.db2.gz HZKLTHUXYXVSKW-GRYCIOLGSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000058119022 176675184 /nfs/dbraw/zinc/67/51/84/176675184.db2.gz XRPYVLUHSBRTHB-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCC1([NH+](C)C)CCCC1 ZINC000125657731 176755645 /nfs/dbraw/zinc/75/56/45/176755645.db2.gz ZGAAGVPODWLCQF-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000357319854 176758442 /nfs/dbraw/zinc/75/84/42/176758442.db2.gz XKQOCPIKHKSGGC-QFOLPQNPSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000249007227 176769083 /nfs/dbraw/zinc/76/90/83/176769083.db2.gz JEMAQFPESHBLTH-NNYUYHANSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1CC12C[NH2+]C2 ZINC000364219608 176772182 /nfs/dbraw/zinc/77/21/82/176772182.db2.gz KEQGCPQYFNSWJN-GARJFASQSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000336754862 177000095 /nfs/dbraw/zinc/00/00/95/177000095.db2.gz IOKNXBFNTBESND-WHOHXGKFSA-N 2 0 214.353 0.933 20 0 BCADRP C[C@H]1C(=O)NCCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000189272020 177058224 /nfs/dbraw/zinc/05/82/24/177058224.db2.gz WQVYGUZFBZJWHD-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H]1CC(=O)NCC[N@@H+]1CCn1ccnc1 ZINC000363460109 177062841 /nfs/dbraw/zinc/06/28/41/177062841.db2.gz WXWNXDFVDNTLKV-JTQLQIEISA-N 2 0 222.292 0.094 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)C1([NH3+])CC1 ZINC000237508688 177075531 /nfs/dbraw/zinc/07/55/31/177075531.db2.gz UQVTYVMGWLAOJI-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000237574872 177097407 /nfs/dbraw/zinc/09/74/07/177097407.db2.gz LKXQVZZCFGWZCB-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]1CCC[N@H+](CCCCNC(N)=[NH2+])C1 ZINC000303258209 177098600 /nfs/dbraw/zinc/09/86/00/177098600.db2.gz KMODVLULEYRDKW-JTQLQIEISA-N 2 0 212.341 0.982 20 0 BCADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C1([NH3+])CC1 ZINC000353575900 177131110 /nfs/dbraw/zinc/13/11/10/177131110.db2.gz GAUHKCQCDGERLP-QWRGUYRKSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H]1CCC[C@](CNC(=O)C[NH3+])([NH+](C)C)C1 ZINC000040670502 177143765 /nfs/dbraw/zinc/14/37/65/177143765.db2.gz NNFNRKIXHDZCIX-JQWIXIFHSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]1CCN(CC2(C[NH3+])CC2)C[C@H]1C[NH3+] ZINC000331366509 177159313 /nfs/dbraw/zinc/15/93/13/177159313.db2.gz DFKSQRLSPBOTJQ-WDEREUQCSA-N 2 0 211.353 0.642 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000126124722 177175093 /nfs/dbraw/zinc/17/50/93/177175093.db2.gz WTXGSKGCDXAJCA-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1([NH3+])CCCC1 ZINC000186836677 177175239 /nfs/dbraw/zinc/17/52/39/177175239.db2.gz RRSNQJGBDHOSEU-VHSXEESVSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000186781631 177175729 /nfs/dbraw/zinc/17/57/29/177175729.db2.gz PEKWPOJJCYFUDV-GXFFZTMASA-N 2 0 247.342 0.873 20 0 BCADRP C[C@H]1CN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC[NH2+]1 ZINC000262932330 177223731 /nfs/dbraw/zinc/22/37/31/177223731.db2.gz SUYSNWDNCLOPCK-FZMZJTMJSA-N 2 0 247.342 0.681 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000237443439 177234325 /nfs/dbraw/zinc/23/43/25/177234325.db2.gz AHLIZCMHGWHKRJ-IVZWLZJFSA-N 2 0 213.325 0.132 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000362877202 177237505 /nfs/dbraw/zinc/23/75/05/177237505.db2.gz RZJVMQKHTCSWBW-WDEREUQCSA-N 2 0 227.352 0.204 20 0 BCADRP C[C@H](CC[NH+](C)C)N[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336752441 177238824 /nfs/dbraw/zinc/23/88/24/177238824.db2.gz GWINDRADFMBPPB-QJPTWQEYSA-N 2 0 213.369 0.866 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000357236387 177241129 /nfs/dbraw/zinc/24/11/29/177241129.db2.gz CVMZDWAVLXKZCK-YWVKMMECSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CCCO1 ZINC000061918638 177251509 /nfs/dbraw/zinc/25/15/09/177251509.db2.gz HYURQFOQTBFWNA-LBPRGKRZSA-N 2 0 227.352 0.002 20 0 BCADRP C[C@H]1C[N@H+](CCc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000226422283 177255881 /nfs/dbraw/zinc/25/58/81/177255881.db2.gz ZJAGLBAFOSSRIK-JQWIXIFHSA-N 2 0 222.336 0.632 20 0 BCADRP C[C@H]1CSCCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336671381 177305414 /nfs/dbraw/zinc/30/54/14/177305414.db2.gz SFQUDCHYOLAZBG-JQWIXIFHSA-N 2 0 244.404 0.879 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@H]1C[NH3+] ZINC000331470077 177322958 /nfs/dbraw/zinc/32/29/58/177322958.db2.gz VYYFGUJGVNTYOS-KJPMQGKISA-N 2 0 225.336 0.165 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C2([NH3+])CC2)CC[N@@H+]1C ZINC000132918582 177328743 /nfs/dbraw/zinc/32/87/43/177328743.db2.gz TYCFHPUPRDKBDP-IUCAKERBSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000132957356 177329481 /nfs/dbraw/zinc/32/94/81/177329481.db2.gz NHOBNWLZICSKHF-DCAQKATOSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N)CC[NH2+]1 ZINC000295005548 177329896 /nfs/dbraw/zinc/32/98/96/177329896.db2.gz LQFZKYRZVRJHJK-IUCAKERBSA-N 2 0 234.303 0.534 20 0 BCADRP C[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000135074834 177334174 /nfs/dbraw/zinc/33/41/74/177334174.db2.gz KDHJJDXICLPTGG-CHWFTXMASA-N 2 0 200.326 0.686 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnn(C)c1 ZINC000122294771 177362798 /nfs/dbraw/zinc/36/27/98/177362798.db2.gz ZFRNJLJPPWDPFY-VHSXEESVSA-N 2 0 208.309 0.589 20 0 BCADRP C[C@H]1C[C@H]([N@H+](C)CCOCC[NH3+])CCN1C ZINC000357077617 177364277 /nfs/dbraw/zinc/36/42/77/177364277.db2.gz PUNGGDGCWYMTGY-NWDGAFQWSA-N 2 0 229.368 0.376 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C2([NH3+])CCCCC2)CC[NH2+]1 ZINC000336550411 177367352 /nfs/dbraw/zinc/36/73/52/177367352.db2.gz HAPCHQDLOZTUQK-WDEREUQCSA-N 2 0 239.363 0.905 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000357240659 177367727 /nfs/dbraw/zinc/36/77/27/177367727.db2.gz JTDHONXKKJOJJS-UTLUCORTSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000132956949 177367995 /nfs/dbraw/zinc/36/79/95/177367995.db2.gz NHOBNWLZICSKHF-AXFHLTTASA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCN2CCC2)CN1C1CC1 ZINC000336780589 177368882 /nfs/dbraw/zinc/36/88/82/177368882.db2.gz RSUALTQTBYHEHT-RYUDHWBXSA-N 2 0 223.364 0.907 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCn1cncn1 ZINC000358081095 177370959 /nfs/dbraw/zinc/37/09/59/177370959.db2.gz KNTBZNXPSNHCEC-WOPDTQHZSA-N 2 0 237.351 0.596 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000368009969 177395597 /nfs/dbraw/zinc/39/55/97/177395597.db2.gz YUBNLVRMABQHBU-GRYCIOLGSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000377523497 177395816 /nfs/dbraw/zinc/39/58/16/177395816.db2.gz JNAGCYMPWLEBKA-WISYIIOYSA-N 2 0 237.347 0.052 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000368555613 177395844 /nfs/dbraw/zinc/39/58/44/177395844.db2.gz HHIUIKRQSQGZOS-MWLCHTKSSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000377531828 177395919 /nfs/dbraw/zinc/39/59/19/177395919.db2.gz YRGDUHRTSZKUQO-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+](C)CC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000167886554 487643371 /nfs/dbraw/zinc/64/33/71/487643371.db2.gz WWJSKALIKDTJSX-SNVBAGLBSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000486909542 225272904 /nfs/dbraw/zinc/27/29/04/225272904.db2.gz GGWIHFYJGSBZLQ-GHMZBOCLSA-N 2 0 225.336 0.006 20 0 BCADRP CO[C@](C)(CO)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000655787084 487645921 /nfs/dbraw/zinc/64/59/21/487645921.db2.gz SLTLPFOWJVYNKG-YPMHNXCESA-N 2 0 244.379 0.704 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000568287109 322933411 /nfs/dbraw/zinc/93/34/11/322933411.db2.gz QNITWTZXAWCTQN-LLVKDONJSA-N 2 0 215.341 0.474 20 0 BCADRP O=C(/C=C\c1ncc[nH]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000493485845 226229742 /nfs/dbraw/zinc/22/97/42/226229742.db2.gz CJSSKCLALDQUPW-BYCRGOAPSA-N 2 0 246.314 0.730 20 0 BCADRP O=C(C=Cc1c[nH]cn1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000493798134 226254696 /nfs/dbraw/zinc/25/46/96/226254696.db2.gz WCRHZAQQPIFIAJ-BQTOJVEASA-N 2 0 246.314 0.776 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000493900370 226258370 /nfs/dbraw/zinc/25/83/70/226258370.db2.gz LOYWZUAFRJCTNO-QXEWZRGKSA-N 2 0 227.352 0.426 20 0 BCADRP C[C@@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)[C@H](C)[NH3+] ZINC000493900371 226258460 /nfs/dbraw/zinc/25/84/60/226258460.db2.gz LOYWZUAFRJCTNO-WCABBAIRSA-N 2 0 227.352 0.426 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494558192 226266213 /nfs/dbraw/zinc/26/62/13/226266213.db2.gz PFWRJVHLWPLTNE-NWDGAFQWSA-N 2 0 239.363 0.858 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494574444 226266591 /nfs/dbraw/zinc/26/65/91/226266591.db2.gz KYXCDNCZPIJLDM-SRVKXCTJSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494574445 226266670 /nfs/dbraw/zinc/26/66/70/226266670.db2.gz KYXCDNCZPIJLDM-TUAOUCFPSA-N 2 0 239.363 0.762 20 0 BCADRP CCn1cc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000671623412 487649123 /nfs/dbraw/zinc/64/91/23/487649123.db2.gz BNVAIJNTEPHSNJ-STQMWFEESA-N 2 0 234.347 0.597 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000494654082 226267525 /nfs/dbraw/zinc/26/75/25/226267525.db2.gz MPEMFELXFQQALF-MNOVXSKESA-N 2 0 227.352 0.762 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000494686992 226268192 /nfs/dbraw/zinc/26/81/92/226268192.db2.gz PWEPCHQQXJVDJW-NXEZZACHSA-N 2 0 229.368 0.994 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCN2CCOC2=O)C1 ZINC000496649519 226310790 /nfs/dbraw/zinc/31/07/90/226310790.db2.gz KQDZVOVHEXJEOD-GHMZBOCLSA-N 2 0 241.335 0.688 20 0 BCADRP COCC[C@](C)(O)CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400466972 226344284 /nfs/dbraw/zinc/34/42/84/226344284.db2.gz TXPYLUDXLFFLPZ-WOPDTQHZSA-N 2 0 230.352 0.504 20 0 BCADRP Cc1n[nH]cc1[C@@H](C)NC[C@]1(O)CC[N@H+](C)C1 ZINC000680827494 487652814 /nfs/dbraw/zinc/65/28/14/487652814.db2.gz ZOYDCSCNYXXSMD-BXKDBHETSA-N 2 0 238.335 0.435 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000518362680 262725547 /nfs/dbraw/zinc/72/55/47/262725547.db2.gz SCIUVDGHASBNMD-ZDCRXTMVSA-N 2 0 225.336 0.452 20 0 BCADRP CCC[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)OC ZINC000393464986 487662110 /nfs/dbraw/zinc/66/21/10/487662110.db2.gz LILSHGGBAAHTPC-OLZOCXBDSA-N 2 0 244.379 0.848 20 0 BCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000238141020 487664749 /nfs/dbraw/zinc/66/47/49/487664749.db2.gz DXRPXNHEHUFGPH-WDEREUQCSA-N 2 0 225.336 0.102 20 0 BCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000238142796 487665026 /nfs/dbraw/zinc/66/50/26/487665026.db2.gz DXRPXNHEHUFGPH-QWRGUYRKSA-N 2 0 225.336 0.102 20 0 BCADRP CN(C(=O)[C@@H]1[NH2+]CCCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000565765480 322937735 /nfs/dbraw/zinc/93/77/35/322937735.db2.gz QXZNKYMAZAYEMB-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP O=C(CCC1CC[NH2+]CC1)N[C@H]1CC[NH2+]C1 ZINC000154515710 487672733 /nfs/dbraw/zinc/67/27/33/487672733.db2.gz SVJNISLLVRZQHE-NSHDSACASA-N 2 0 225.336 0.244 20 0 BCADRP C[C@@H](C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+](C)C ZINC000675147481 487673013 /nfs/dbraw/zinc/67/30/13/487673013.db2.gz SKSUMVOXBFYTAB-SCVCMEIPSA-N 2 0 239.363 0.535 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000262680777 487677960 /nfs/dbraw/zinc/67/79/60/487677960.db2.gz WWWRYYREMVSOPO-NEPJUHHUSA-N 2 0 239.363 0.396 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000150993424 487685428 /nfs/dbraw/zinc/68/54/28/487685428.db2.gz YRXUFCIQTSAUAI-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000393784492 487687572 /nfs/dbraw/zinc/68/75/72/487687572.db2.gz WMSGTEOKSCVNIQ-QJPTWQEYSA-N 2 0 211.353 0.655 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000669403128 487705111 /nfs/dbraw/zinc/70/51/11/487705111.db2.gz LEKQRVAKGIUZEN-GHMZBOCLSA-N 2 0 240.351 0.084 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000669403238 487705222 /nfs/dbraw/zinc/70/52/22/487705222.db2.gz PNIOFHLTCQUEFX-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000669403273 487705708 /nfs/dbraw/zinc/70/57/08/487705708.db2.gz QVVHTMINWHQHJV-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000669403141 487705977 /nfs/dbraw/zinc/70/59/77/487705977.db2.gz LNNXRIFHCDYQRB-MNOVXSKESA-N 2 0 240.351 0.117 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000669403272 487706097 /nfs/dbraw/zinc/70/60/97/487706097.db2.gz QVVHTMINWHQHJV-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000669403342 487705923 /nfs/dbraw/zinc/70/59/23/487705923.db2.gz VZEUACGBKRUULL-ZJUUUORDSA-N 2 0 228.340 0.117 20 0 BCADRP O=C(N1CC[NH2+]CC1)C1([NH2+]C2CC2)CCC1 ZINC000082652200 487706854 /nfs/dbraw/zinc/70/68/54/487706854.db2.gz ITFZVBVRIYBUIV-UHFFFAOYSA-N 2 0 223.320 0.093 20 0 BCADRP C[C@@H]1C[C@@H]1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000082648643 487707479 /nfs/dbraw/zinc/70/74/79/487707479.db2.gz RZUIDTGTQHONDC-VXGBXAGGSA-N 2 0 211.353 0.479 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC1CCC([NH3+])CC1 ZINC000086068659 487719722 /nfs/dbraw/zinc/71/97/22/487719722.db2.gz BGLFOJLJHQDBOH-IDKOKCKLSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000249556186 487720945 /nfs/dbraw/zinc/72/09/45/487720945.db2.gz JVKYXWJKYQKTJC-WOPDTQHZSA-N 2 0 239.363 0.620 20 0 BCADRP COCC[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336714125 487721168 /nfs/dbraw/zinc/72/11/68/487721168.db2.gz VVOQXJQEHMYUTL-QJPTWQEYSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[C@H]2CC[NH2+]C2)[C@@H]1C[NH3+] ZINC000249532030 487722112 /nfs/dbraw/zinc/72/21/12/487722112.db2.gz BDNUKXPZNSKMIR-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000249577541 487721889 /nfs/dbraw/zinc/72/18/89/487721889.db2.gz PWDRZSPQBSUFNH-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP CC[NH+](CC)CCCNC(=O)CC(C)(C)[NH3+] ZINC000082771583 487727917 /nfs/dbraw/zinc/72/79/17/487727917.db2.gz KCZWUCDUQDWCCQ-UHFFFAOYSA-N 2 0 229.368 0.962 20 0 BCADRP CC(C)([NH3+])CC(=O)NCCCn1ccnc1 ZINC000082771682 487728672 /nfs/dbraw/zinc/72/86/72/487728672.db2.gz CCXKSAYVUWKWNU-UHFFFAOYSA-N 2 0 224.308 0.517 20 0 BCADRP CC[NH+](CC)CCNC(=O)CC(C)(C)[NH3+] ZINC000082771510 487728436 /nfs/dbraw/zinc/72/84/36/487728436.db2.gz BQOAZSCLKPKTIF-UHFFFAOYSA-N 2 0 215.341 0.572 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226394204 487730031 /nfs/dbraw/zinc/73/00/31/487730031.db2.gz ZSVCAHBWXVUQEP-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP CC[N@H+](CCNC(=O)CC(C)(C)[NH3+])C1CC1 ZINC000226397574 487731296 /nfs/dbraw/zinc/73/12/96/487731296.db2.gz NMLFGHGZAXBUAP-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH+]1CCC(CNC(=O)CC(C)(C)[NH3+])CC1 ZINC000082772384 487731698 /nfs/dbraw/zinc/73/16/98/487731698.db2.gz OMGQUDDPJRDJKS-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226403941 487734137 /nfs/dbraw/zinc/73/41/37/487734137.db2.gz SIHOOBDCXLALAL-LPEHRKFASA-N 2 0 213.325 0.323 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000250551003 487735362 /nfs/dbraw/zinc/73/53/62/487735362.db2.gz AEUVMGCPKAYJFZ-VXGBXAGGSA-N 2 0 239.363 0.444 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000250635485 487737355 /nfs/dbraw/zinc/73/73/55/487737355.db2.gz SADCWKMZYUOLLO-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC000076454652 487741795 /nfs/dbraw/zinc/74/17/95/487741795.db2.gz AHRNZIAWHHVKHU-VXGBXAGGSA-N 2 0 214.353 0.935 20 0 BCADRP CCc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc[nH+]1 ZINC000651449891 487744086 /nfs/dbraw/zinc/74/40/86/487744086.db2.gz UKXCPUGEBYLWSZ-CQSZACIVSA-N 2 0 247.342 0.899 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000082921475 487753523 /nfs/dbraw/zinc/75/35/23/487753523.db2.gz AKHJRAQZRBHJIS-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659516467 487764542 /nfs/dbraw/zinc/76/45/42/487764542.db2.gz IAKDPZFEYAARGO-OPRDCNLKSA-N 2 0 246.330 0.050 20 0 BCADRP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251556271 487768489 /nfs/dbraw/zinc/76/84/89/487768489.db2.gz LZDDNILQISKDIQ-HBNTYKKESA-N 2 0 227.352 0.522 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000662964460 487772519 /nfs/dbraw/zinc/77/25/19/487772519.db2.gz BMYDBRIWFIMMHP-PWSUYJOCSA-N 2 0 235.331 0.801 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000662964911 487773330 /nfs/dbraw/zinc/77/33/30/487773330.db2.gz JOUIGSOKJLVYBE-CMPLNLGQSA-N 2 0 235.331 0.719 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000662965775 487774653 /nfs/dbraw/zinc/77/46/53/487774653.db2.gz NVCNRWFCQFOBON-DCAQKATOSA-N 2 0 227.352 0.583 20 0 BCADRP Cn1nccc1CC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000383121508 487775588 /nfs/dbraw/zinc/77/55/88/487775588.db2.gz HEXKQOQRTCTXKT-GFCCVEGCSA-N 2 0 236.363 0.940 20 0 BCADRP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000668462534 487786149 /nfs/dbraw/zinc/78/61/49/487786149.db2.gz HVIPBMBBACJUIS-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP CN(CCCC[NH+](C)C)C(=O)C1([NH+](C)C)CC1 ZINC000668950353 487801637 /nfs/dbraw/zinc/80/16/37/487801637.db2.gz PGGYHVGIUWGJGL-UHFFFAOYSA-N 2 0 241.379 0.881 20 0 BCADRP CC(C)([NH3+])CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000309246947 487806003 /nfs/dbraw/zinc/80/60/03/487806003.db2.gz CMUSZHWDTXMVIL-SECBINFHSA-N 2 0 213.325 0.372 20 0 BCADRP CC(=O)NCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000394821975 487809227 /nfs/dbraw/zinc/80/92/27/487809227.db2.gz UOLDORFCXIABNG-MNOVXSKESA-N 2 0 213.325 0.372 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](COC)OC)C1 ZINC000234396114 487814254 /nfs/dbraw/zinc/81/42/54/487814254.db2.gz PUDUUIKLSKSJSW-MNOVXSKESA-N 2 0 216.325 0.189 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000156181059 487822363 /nfs/dbraw/zinc/82/23/63/487822363.db2.gz BOQWGIUCZKUCCW-KKOKHZNYSA-N 2 0 239.363 0.700 20 0 BCADRP CCC[C@]1(CO)CCC[N@@H+]1CCC[NH3+] ZINC000414759075 487822816 /nfs/dbraw/zinc/82/28/16/487822816.db2.gz NPKYPIIRPLQJQY-LLVKDONJSA-N 2 0 200.326 0.962 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000252610435 487827440 /nfs/dbraw/zinc/82/74/40/487827440.db2.gz URTTUQPFZWOWER-UTUOFQBUSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000309296894 487832638 /nfs/dbraw/zinc/83/26/38/487832638.db2.gz RUCKKRHWMBCDFS-KXUCPTDWSA-N 2 0 213.325 0.213 20 0 BCADRP Cc1ccc(C[C@H](CO)[NH2+]CCC[NH3+])cc1 ZINC000415103866 487837867 /nfs/dbraw/zinc/83/78/67/487837867.db2.gz KFYSVPDLGACKOT-CYBMUJFWSA-N 2 0 222.332 0.837 20 0 BCADRP C[C@H](CNC(=[NH2+])N(C)C1CC1)C[NH+](C)C ZINC000849030734 588442615 /nfs/dbraw/zinc/44/26/15/588442615.db2.gz VMCYWDLWELIFHD-SECBINFHSA-N 2 0 212.341 0.803 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000212547691 487847430 /nfs/dbraw/zinc/84/74/30/487847430.db2.gz IHTAALPMXIMOJZ-WDEREUQCSA-N 2 0 227.352 0.618 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000089747454 487851722 /nfs/dbraw/zinc/85/17/22/487851722.db2.gz AEUVMGCPKAYJFZ-NWDGAFQWSA-N 2 0 239.363 0.444 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000089747457 487851913 /nfs/dbraw/zinc/85/19/13/487851913.db2.gz AEUVMGCPKAYJFZ-RYUDHWBXSA-N 2 0 239.363 0.444 20 0 BCADRP C[N@H+](C[C@@H](O)CC(F)(F)F)C1CC([NH3+])C1 ZINC000307943293 641198329 /nfs/dbraw/zinc/19/83/29/641198329.db2.gz SBSBSXJKMMXFQS-RRQHEKLDSA-N 2 0 226.242 0.721 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCO1 ZINC000234724932 487868645 /nfs/dbraw/zinc/86/86/45/487868645.db2.gz NHVIYBZMSDWPRX-MNOVXSKESA-N 2 0 216.325 0.509 20 0 BCADRP C([NH2+][C@H]1CC12CC[NH2+]CC2)[C@]12C[C@H]1C[NH2+]C2 ZINC000663217980 487877081 /nfs/dbraw/zinc/87/70/81/487877081.db2.gz UZVJOVHJUNKMSR-GMXVVIOVSA-N 3 0 221.348 0.328 20 0 BCADRP C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000666770741 487877107 /nfs/dbraw/zinc/87/71/07/487877107.db2.gz UKGVRBAAEWPFDI-VXGBXAGGSA-N 2 0 211.353 0.860 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)OC ZINC000234790967 487878736 /nfs/dbraw/zinc/87/87/36/487878736.db2.gz FYIJHMOIHBBUTD-UWVGGRQHSA-N 2 0 204.314 0.365 20 0 BCADRP C[NH2+]CCC[NH2+]Cc1ccccc1-n1cncn1 ZINC000666805815 487883351 /nfs/dbraw/zinc/88/33/51/487883351.db2.gz JBPPRVNHAZOEJW-UHFFFAOYSA-N 2 0 245.330 0.966 20 0 BCADRP CC[N@H+](CCNC(=O)NC/C=C/C[NH3+])C1CC1 ZINC000669444679 487889214 /nfs/dbraw/zinc/88/92/14/487889214.db2.gz DUDPUUOOPSLIEU-ONEGZZNKSA-N 2 0 240.351 0.285 20 0 BCADRP C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947964 487889503 /nfs/dbraw/zinc/88/95/03/487889503.db2.gz LXXHNWIAOJLKIU-KXNHARMFSA-N 2 0 229.343 0.807 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655516281 487897943 /nfs/dbraw/zinc/89/79/43/487897943.db2.gz RPGHBWORUAIKDS-SSDOTTSWSA-N 2 0 241.257 0.334 20 0 BCADRP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@H+](C)C2)CC1 ZINC000666910604 487901756 /nfs/dbraw/zinc/90/17/56/487901756.db2.gz CYUWYJWRIUHULS-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@H+](C)C2)CC1 ZINC000666910603 487901931 /nfs/dbraw/zinc/90/19/31/487901931.db2.gz CYUWYJWRIUHULS-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP CN(C(=O)[C@@H]1CCC[NH2+]CC1)[C@@H](C[NH3+])C1CC1 ZINC000653162323 487904173 /nfs/dbraw/zinc/90/41/73/487904173.db2.gz AISOIDKASRETJG-NEPJUHHUSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C1CC[NH2+]CC1 ZINC000083367394 487905116 /nfs/dbraw/zinc/90/51/16/487905116.db2.gz NUVIYZPMRSGQGK-LBPRGKRZSA-N 2 0 239.363 0.442 20 0 BCADRP COC[C@H](C)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000666966095 487920045 /nfs/dbraw/zinc/92/00/45/487920045.db2.gz KPYXYSQSIVWPSS-ZJUUUORDSA-N 2 0 200.326 0.999 20 0 BCADRP O=C(C[NH2+]C1CC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000157800264 487921356 /nfs/dbraw/zinc/92/13/56/487921356.db2.gz RXSKOXKTZIQRGW-NEPJUHHUSA-N 2 0 237.347 0.481 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)C[NH3+] ZINC000417282732 487922994 /nfs/dbraw/zinc/92/29/94/487922994.db2.gz BBRYQDSYJCYMNC-ZJUUUORDSA-N 2 0 230.356 0.363 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N(C)[C@H](C)C[NH3+] ZINC000417305220 487923471 /nfs/dbraw/zinc/92/34/71/487923471.db2.gz VULYYNUFHIMWFH-GHMZBOCLSA-N 2 0 244.383 0.705 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H](C)C[NH3+] ZINC000417301498 487923497 /nfs/dbraw/zinc/92/34/97/487923497.db2.gz PSXJYLYTCZVMOP-WDEREUQCSA-N 2 0 244.383 0.611 20 0 BCADRP C[NH2+]C[C@](C)(O)CN(C)CC[C@@H]([NH3+])C(C)C ZINC000652335980 487924450 /nfs/dbraw/zinc/92/44/50/487924450.db2.gz WYZOQZILYUAIFC-NEPJUHHUSA-N 2 0 231.384 0.262 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN(C)CC[C@H]([NH3+])C(C)C ZINC000652335981 487924932 /nfs/dbraw/zinc/92/49/32/487924932.db2.gz WYZOQZILYUAIFC-NWDGAFQWSA-N 2 0 231.384 0.262 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)[NH+](C)C ZINC000679354769 487927146 /nfs/dbraw/zinc/92/71/46/487927146.db2.gz ZNHZVHLGTLQRJQ-TUAOUCFPSA-N 2 0 239.363 0.489 20 0 BCADRP CC[N@H+](CCNC(=O)N(C)CC[NH2+]C)C(C)C ZINC000417453878 487929256 /nfs/dbraw/zinc/92/92/56/487929256.db2.gz BFBISNJZVHPRBF-UHFFFAOYSA-N 2 0 244.383 0.578 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352628 487929947 /nfs/dbraw/zinc/92/99/47/487929947.db2.gz GGVCSHZUKHQJNS-XQQFMLRXSA-N 2 0 241.379 0.018 20 0 BCADRP C[C@H]([NH3+])CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363661 487932761 /nfs/dbraw/zinc/93/27/61/487932761.db2.gz KOMNAMJLGPDRNB-UMSGYPCISA-N 3 0 241.379 0.694 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396444230 487933688 /nfs/dbraw/zinc/93/36/88/487933688.db2.gz AZZDODPREOXXPE-NSHDSACASA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)C[NH2+]CC1CC1 ZINC000154050260 487936747 /nfs/dbraw/zinc/93/67/47/487936747.db2.gz NIEZLMPOZZNGCV-GXSJLCMTSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188754345 487949301 /nfs/dbraw/zinc/94/93/01/487949301.db2.gz UHEPEMQBTGNLRQ-HBNTYKKESA-N 2 0 243.326 0.239 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653166362 487949584 /nfs/dbraw/zinc/94/95/84/487949584.db2.gz DLCBQYZYMBLDKI-QSFUFRPTSA-N 2 0 239.363 0.759 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000568287110 322933448 /nfs/dbraw/zinc/93/34/48/322933448.db2.gz QNITWTZXAWCTQN-NSHDSACASA-N 2 0 215.341 0.474 20 0 BCADRP [NH3+]Cc1cc(C(=O)NCC[C@H]2CC[NH2+]C2)ccn1 ZINC000566199253 322966619 /nfs/dbraw/zinc/96/66/19/322966619.db2.gz VVWLMJUBHROZFK-SNVBAGLBSA-N 2 0 248.330 0.270 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000566206314 322969102 /nfs/dbraw/zinc/96/91/02/322969102.db2.gz WZPGPVVBXTXRSC-SCVCMEIPSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000566216321 322970471 /nfs/dbraw/zinc/97/04/71/322970471.db2.gz DQOKTMUMAMGXMB-SFYZADRCSA-N 2 0 222.292 0.873 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)F)CC[NH2+]1 ZINC000564955732 322979864 /nfs/dbraw/zinc/97/98/64/322979864.db2.gz XUGUTNXYGOJPGT-CIUDSAMLSA-N 2 0 249.305 0.473 20 0 BCADRP CC(C)([NH3+])CNC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000561182307 322996580 /nfs/dbraw/zinc/99/65/80/322996580.db2.gz IDRZJDWMHSDNFL-LBPRGKRZSA-N 2 0 249.358 0.800 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C1(C[NH3+])CCC1 ZINC000561195179 322996845 /nfs/dbraw/zinc/99/68/45/322996845.db2.gz BGYUYOIHEQDHHZ-NXEZZACHSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]CCC[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000565046102 323005972 /nfs/dbraw/zinc/00/59/72/323005972.db2.gz CCXUBDWZBMWZCR-LBPRGKRZSA-N 2 0 236.363 0.894 20 0 BCADRP CC[N@H+](CC(=O)NC[C@H]1CC[NH+](C)C1)C1CC1 ZINC000151622936 323020735 /nfs/dbraw/zinc/02/07/35/323020735.db2.gz UMGBZDAYLGPQFX-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCCC[NH2+]C(C)C ZINC000562814871 323031473 /nfs/dbraw/zinc/03/14/73/323031473.db2.gz AWPVQOXCGHZZKK-JTQLQIEISA-N 2 0 230.356 0.411 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000322804345 323036659 /nfs/dbraw/zinc/03/66/59/323036659.db2.gz RINFOGGGTRFZTP-LPEHRKFASA-N 2 0 213.325 0.371 20 0 BCADRP Cc1ncc(C[NH2+][C@H]2CCCN(C)C2=O)n1C ZINC000569746085 323039655 /nfs/dbraw/zinc/03/96/55/323039655.db2.gz XPKHHJIVAKBOMM-NSHDSACASA-N 2 0 236.319 0.439 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000572986549 323039956 /nfs/dbraw/zinc/03/99/56/323039956.db2.gz LCSALVYNLTUJQJ-QWRGUYRKSA-N 2 0 240.351 0.084 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N(C)CCC[NH+](C)C ZINC000569794179 323040845 /nfs/dbraw/zinc/04/08/45/323040845.db2.gz DHEZPSBLKGSTLT-NSHDSACASA-N 2 0 244.383 0.435 20 0 BCADRP CC(=O)NCC[N@H+](C)CCCn1ccnc1 ZINC000569950361 323045571 /nfs/dbraw/zinc/04/55/71/323045571.db2.gz BSRNJBDCSMRFPE-UHFFFAOYSA-N 2 0 224.308 0.341 20 0 BCADRP CCOC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000569962454 323045916 /nfs/dbraw/zinc/04/59/16/323045916.db2.gz YDGCXUVDMBVQDB-OLZOCXBDSA-N 2 0 244.379 0.705 20 0 BCADRP C[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000570082162 323049359 /nfs/dbraw/zinc/04/93/59/323049359.db2.gz SAEGKPWNZXQTDF-UHTWSYAYSA-N 2 0 242.363 0.335 20 0 BCADRP C[C@H](C[NH2+][C@@H](C)[C@@H](C)O)CN1CC[NH+](C)CC1 ZINC000570082554 323049386 /nfs/dbraw/zinc/04/93/86/323049386.db2.gz MXLFSTKAHDMZMR-FRRDWIJNSA-N 2 0 243.395 0.229 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2C(=O)C1([NH3+])CCC1 ZINC000570222327 323053225 /nfs/dbraw/zinc/05/32/25/323053225.db2.gz UPCONNYYQVLLRG-UHFFFAOYSA-N 2 0 237.347 0.598 20 0 BCADRP CC(C)(C[NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000570322169 323056037 /nfs/dbraw/zinc/05/60/37/323056037.db2.gz YBAIFHKQQBUWNS-LBPRGKRZSA-N 2 0 227.352 0.477 20 0 BCADRP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000570507427 323061313 /nfs/dbraw/zinc/06/13/13/323061313.db2.gz BKVDSSARRSILCM-FRRDWIJNSA-N 2 0 240.395 0.140 20 0 BCADRP CSC[C@H](O)C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000570564463 323063185 /nfs/dbraw/zinc/06/31/85/323063185.db2.gz QWZOALKHLXBNGC-WOPDTQHZSA-N 2 0 244.404 0.927 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000570667426 323066476 /nfs/dbraw/zinc/06/64/76/323066476.db2.gz NQOJLRUOZDXSAU-OUAUKWLOSA-N 2 0 242.367 0.458 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000570685966 323067203 /nfs/dbraw/zinc/06/72/03/323067203.db2.gz BUUFZTHEPRJPHS-NXEZZACHSA-N 2 0 213.325 0.039 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000570716983 323068382 /nfs/dbraw/zinc/06/83/82/323068382.db2.gz ZHOWSGGPUIIKRU-NSHDSACASA-N 2 0 221.304 0.412 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)C1([NH3+])CCC1 ZINC000570715796 323068398 /nfs/dbraw/zinc/06/83/98/323068398.db2.gz NLTGRVLEJXEWBP-UHFFFAOYSA-N 2 0 213.325 0.372 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000570738710 323068843 /nfs/dbraw/zinc/06/88/43/323068843.db2.gz KYTMKUSYBVSMBA-VHSXEESVSA-N 2 0 227.352 0.489 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H](C)CCC[NH3+])[C@H](C)[NH3+] ZINC000570800760 323070984 /nfs/dbraw/zinc/07/09/84/323070984.db2.gz ZLYLCADFHUUQBF-OUAUKWLOSA-N 2 0 229.368 0.849 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[C@@](C)(F)C1 ZINC000572659709 323072792 /nfs/dbraw/zinc/07/27/92/323072792.db2.gz NWSIMJGKJXQGCQ-WDEREUQCSA-N 2 0 218.316 0.733 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)C[C@H]2COCC[NH2+]2)cc1 ZINC000562972262 323077538 /nfs/dbraw/zinc/07/75/38/323077538.db2.gz MWPIYYLHADKLPT-LBPRGKRZSA-N 2 0 249.314 0.462 20 0 BCADRP CC[C@H](O)C[NH2+][C@@H](C)C1=CC[N@H+](C)CC1 ZINC000563014473 323079939 /nfs/dbraw/zinc/07/99/39/323079939.db2.gz WTEWEVHOTQBGRR-JQWIXIFHSA-N 2 0 212.337 0.997 20 0 BCADRP C[C@H](C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)C1C[NH2+]C1 ZINC000563087790 323091253 /nfs/dbraw/zinc/09/12/53/323091253.db2.gz PYNYCWOWVCEQEE-BBBLOLIVSA-N 2 0 225.336 0.051 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000563093216 323091814 /nfs/dbraw/zinc/09/18/14/323091814.db2.gz YGXQYIQPJBGJSD-JBLDHEPKSA-N 2 0 242.367 0.493 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000563093184 323091815 /nfs/dbraw/zinc/09/18/15/323091815.db2.gz XWLSGGARISQCIE-LPEHRKFASA-N 2 0 228.340 0.116 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]([NH3+])C1CCC1 ZINC000567848386 323092722 /nfs/dbraw/zinc/09/27/22/323092722.db2.gz ACJFRTACTKVZNK-PSASIEDQSA-N 2 0 213.325 0.357 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000563107548 323092821 /nfs/dbraw/zinc/09/28/21/323092821.db2.gz JBBLMOARHAVAJK-GHMZBOCLSA-N 2 0 227.352 0.490 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000563109008 323092870 /nfs/dbraw/zinc/09/28/70/323092870.db2.gz FUYIHEPGIXQSBW-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000563110619 323092903 /nfs/dbraw/zinc/09/29/03/323092903.db2.gz ICDTZZIMNXASGK-ZWNOBZJWSA-N 2 0 247.342 0.955 20 0 BCADRP [NH3+]CCCCNC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000563110395 323092951 /nfs/dbraw/zinc/09/29/51/323092951.db2.gz UUNVJQUPNDMCMV-CYBMUJFWSA-N 2 0 249.358 0.802 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000563109161 323093088 /nfs/dbraw/zinc/09/30/88/323093088.db2.gz ZMFXUZICBYECDK-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+]CCCCC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000563116642 323093304 /nfs/dbraw/zinc/09/33/04/323093304.db2.gz KOLOPFMEIINKRV-GHMZBOCLSA-N 2 0 227.352 0.749 20 0 BCADRP [NH3+]CCCC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000563114869 323093476 /nfs/dbraw/zinc/09/34/76/323093476.db2.gz FVJMRMCEGARAAR-JTQLQIEISA-N 2 0 213.325 0.374 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC[C@]1(C)CC[NH2+]C1 ZINC000563135147 323094698 /nfs/dbraw/zinc/09/46/98/323094698.db2.gz IELLHICJVMKEMB-GRYCIOLGSA-N 2 0 211.353 0.574 20 0 BCADRP C[C@H](NC(=O)[C@H]1CSCN1)[C@@H]1CCC[NH2+]C1 ZINC000563142867 323095273 /nfs/dbraw/zinc/09/52/73/323095273.db2.gz QHFJXXLKIIYDQK-IVZWLZJFSA-N 2 0 243.376 0.153 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000563146615 323095459 /nfs/dbraw/zinc/09/54/59/323095459.db2.gz IEWHAARSXTVOFS-VIFPVBQESA-N 2 0 234.303 0.305 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000563152834 323095849 /nfs/dbraw/zinc/09/58/49/323095849.db2.gz LFSHNUHUNZDQMG-DTORHVGOSA-N 2 0 213.325 0.357 20 0 BCADRP OCCCC[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000563155309 323096100 /nfs/dbraw/zinc/09/61/00/323096100.db2.gz MZRVVIKLEDOFOD-UHFFFAOYSA-N 2 0 241.379 0.129 20 0 BCADRP [NH3+]CCOCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000567894516 323097586 /nfs/dbraw/zinc/09/75/86/323097586.db2.gz ABCQPRMVRPKTRS-LBPRGKRZSA-N 2 0 242.363 0.901 20 0 BCADRP O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000563162147 323097884 /nfs/dbraw/zinc/09/78/84/323097884.db2.gz IMFSEFIPDCDYAG-SFTQSGBHSA-N 2 0 249.358 0.196 20 0 BCADRP C[C@@]1(C(=O)N2CCC[C@@H](CC[NH3+])C2)CCC[NH2+]1 ZINC000563164948 323099323 /nfs/dbraw/zinc/09/93/23/323099323.db2.gz VNNJTYZQZMLFMJ-AAEUAGOBSA-N 2 0 239.363 0.716 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000563169273 323099705 /nfs/dbraw/zinc/09/97/05/323099705.db2.gz GJRLBAGUQXINQP-HLTSFMKQSA-N 2 0 201.314 0.212 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000563169110 323099730 /nfs/dbraw/zinc/09/97/30/323099730.db2.gz DZLPYXKYNMVBBJ-HBNTYKKESA-N 2 0 239.363 0.618 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000563200903 323101489 /nfs/dbraw/zinc/10/14/89/323101489.db2.gz XPOCSIUGDPEKSO-GRYCIOLGSA-N 2 0 239.363 0.666 20 0 BCADRP c1ncn(CC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000563215630 323102976 /nfs/dbraw/zinc/10/29/76/323102976.db2.gz ULMQLZZQIWXMRY-CHWSQXEVSA-N 2 0 249.362 0.600 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC000338431639 323104936 /nfs/dbraw/zinc/10/49/36/323104936.db2.gz RZWFQYRUXMKSNY-LLVKDONJSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cncn1C ZINC000401651731 323105157 /nfs/dbraw/zinc/10/51/57/323105157.db2.gz QIIMSLKCPGIWID-AAEUAGOBSA-N 2 0 236.363 0.892 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000563351224 323120243 /nfs/dbraw/zinc/12/02/43/323120243.db2.gz XUFIPKRFDSCVKL-DDHJBXDOSA-N 2 0 239.363 0.842 20 0 BCADRP [NH3+][C@@H](CNC(=O)CC[NH2+]C1CC1)c1ccccc1 ZINC000563417362 323123594 /nfs/dbraw/zinc/12/35/94/323123594.db2.gz NUQWKNVGJAIZHO-ZDUSSCGKSA-N 2 0 247.342 0.945 20 0 BCADRP [NH3+]C[C@H](NC(=O)CC[NH2+]C1CC1)C1CCCC1 ZINC000563410982 323124558 /nfs/dbraw/zinc/12/45/58/323124558.db2.gz SZNOLYXFVHJOFV-LBPRGKRZSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000563451614 323126575 /nfs/dbraw/zinc/12/65/75/323126575.db2.gz NTWWFCQHGWLFSY-GHMZBOCLSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000563452216 323126611 /nfs/dbraw/zinc/12/66/11/323126611.db2.gz XBHFLKYFSYANNU-NSHDSACASA-N 2 0 227.352 0.490 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000563529170 323129224 /nfs/dbraw/zinc/12/92/24/323129224.db2.gz RLNIKHJEYNPKBG-FRRDWIJNSA-N 2 0 244.379 0.846 20 0 BCADRP C[NH2+]CC1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000563533961 323129515 /nfs/dbraw/zinc/12/95/15/323129515.db2.gz IRUYDDJGFXLRMM-UHFFFAOYSA-N 2 0 227.352 0.429 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000563583047 323130507 /nfs/dbraw/zinc/13/05/07/323130507.db2.gz HNUWBOFVZGUSJJ-WOPDTQHZSA-N 2 0 239.363 0.490 20 0 BCADRP CN(C(=O)c1coc(C[NH3+])c1)[C@@H](C[NH3+])C1CC1 ZINC000563621596 323132004 /nfs/dbraw/zinc/13/20/04/323132004.db2.gz ADSVNRBMZQRYCA-NSHDSACASA-N 2 0 237.303 0.548 20 0 BCADRP CN1CC[C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000563635633 323133173 /nfs/dbraw/zinc/13/31/73/323133173.db2.gz LBZWURHMUADQFJ-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000571081331 323135041 /nfs/dbraw/zinc/13/50/41/323135041.db2.gz MCGBZFWVVJOTRD-GFCCVEGCSA-N 2 0 241.379 0.927 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000571169059 323137462 /nfs/dbraw/zinc/13/74/62/323137462.db2.gz JFYVBDUTSQDVHI-MXWKQRLJSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H](NC(=O)N(C)CCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000571181218 323137771 /nfs/dbraw/zinc/13/77/71/323137771.db2.gz UBXHRGYAFMPWBO-MNOVXSKESA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H](NC(=O)N(C)CCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000571181220 323137798 /nfs/dbraw/zinc/13/77/98/323137798.db2.gz UBXHRGYAFMPWBO-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)CC[NH2+]C2CC2)cc1 ZINC000571415620 323144316 /nfs/dbraw/zinc/14/43/16/323144316.db2.gz AIHTYJVYOIZKLQ-UHFFFAOYSA-N 2 0 247.342 0.904 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CCSC2)C1 ZINC000571462883 323145401 /nfs/dbraw/zinc/14/54/01/323145401.db2.gz ZIEIRZNJULJHAF-VWYCJHECSA-N 2 0 230.377 0.714 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000571521911 323146718 /nfs/dbraw/zinc/14/67/18/323146718.db2.gz BTAJPTVOGXAADG-CHWSQXEVSA-N 2 0 242.363 0.853 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000571521912 323146777 /nfs/dbraw/zinc/14/67/77/323146777.db2.gz BTAJPTVOGXAADG-OLZOCXBDSA-N 2 0 242.363 0.853 20 0 BCADRP C[NH+](C)C[C@H]1CCN(c2cc[nH+]cc2C(N)=O)C1 ZINC000571539857 323147590 /nfs/dbraw/zinc/14/75/90/323147590.db2.gz JRUBBZMZXVERFZ-SNVBAGLBSA-N 2 0 248.330 0.568 20 0 BCADRP [NH3+]CCC[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000563718868 323175471 /nfs/dbraw/zinc/17/54/71/323175471.db2.gz ZRSRBYIFVKRKRK-SNVBAGLBSA-N 2 0 221.308 0.312 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000572869360 323176426 /nfs/dbraw/zinc/17/64/26/323176426.db2.gz RXHYVWNAAKRTTI-DCAQKATOSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]CC2(F)CC2)CC1 ZINC000308948197 323182264 /nfs/dbraw/zinc/18/22/64/323182264.db2.gz OJNVEJGLBWZQIQ-UHFFFAOYSA-N 2 0 216.300 0.535 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000563893145 323195578 /nfs/dbraw/zinc/19/55/78/323195578.db2.gz ZZICAOMENCXDOY-NSHDSACASA-N 2 0 242.367 0.494 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C1(C)C[NH2+]C1 ZINC000399312254 323203709 /nfs/dbraw/zinc/20/37/09/323203709.db2.gz ROEUEXXKNFNAQZ-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP CC[NH2+]CCCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000519593121 323203822 /nfs/dbraw/zinc/20/38/22/323203822.db2.gz QSLPCAUESXACNG-NSHDSACASA-N 2 0 242.367 0.509 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530216869 323217300 /nfs/dbraw/zinc/21/73/00/323217300.db2.gz QSIBBZCXLBPGDW-QJPTWQEYSA-N 2 0 223.364 0.988 20 0 BCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C1CC1 ZINC000103211641 323246182 /nfs/dbraw/zinc/24/61/82/323246182.db2.gz RQJFZHSFJRHSEW-UHFFFAOYSA-N 2 0 227.352 0.348 20 0 BCADRP CC[C@@H]([NH2+]C[C@H](O)CN(C)C)C1CCOCC1 ZINC000532515938 323272698 /nfs/dbraw/zinc/27/26/98/323272698.db2.gz VAWLQIRGWKPANP-QWHCGFSZSA-N 2 0 244.379 0.704 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C[NH2+]C1CC1 ZINC000563945651 323330234 /nfs/dbraw/zinc/33/02/34/323330234.db2.gz CBHOVTLIIUVOLS-MWLCHTKSSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCC2CC[NH2+]CC2)C1 ZINC000563945769 323330295 /nfs/dbraw/zinc/33/02/95/323330295.db2.gz NQPDUXFCDVNVBZ-CMPLNLGQSA-N 2 0 239.363 0.490 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000563975936 323337414 /nfs/dbraw/zinc/33/74/14/323337414.db2.gz KISDNDDDTVFLRA-AAEUAGOBSA-N 2 0 247.342 0.767 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CCO)C(C)C ZINC000309294457 323341246 /nfs/dbraw/zinc/34/12/46/323341246.db2.gz WRNRAYAHMTWOBV-NWDGAFQWSA-N 2 0 232.368 0.296 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000571683213 323346608 /nfs/dbraw/zinc/34/66/08/323346608.db2.gz GCWIPNJUJHAURL-SKDRFNHKSA-N 2 0 237.347 0.480 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000571683207 323346712 /nfs/dbraw/zinc/34/67/12/323346712.db2.gz GCWIPNJUJHAURL-BXKDBHETSA-N 2 0 237.347 0.480 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418400090 323391791 /nfs/dbraw/zinc/39/17/91/323391791.db2.gz GRSXDFCMAWSCFC-DTWKUNHWSA-N 2 0 216.329 0.006 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000309493765 323417225 /nfs/dbraw/zinc/41/72/25/323417225.db2.gz STOTVLLCUFBSEN-UWVGGRQHSA-N 2 0 215.341 0.476 20 0 BCADRP C[C@@]1(C(N)=O)CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000235433457 487957848 /nfs/dbraw/zinc/95/78/48/487957848.db2.gz AACUOWAMOXRTCO-CYBMUJFWSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000571761353 323474197 /nfs/dbraw/zinc/47/41/97/323474197.db2.gz HOJXMOWAEDKGEE-HTQZYQBOSA-N 2 0 235.278 0.227 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+](CC)CC ZINC000041680164 487958918 /nfs/dbraw/zinc/95/89/18/487958918.db2.gz QEIOTPZNIZKVBS-NXEZZACHSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@@]1(C(N)=O)CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000235435194 487958370 /nfs/dbraw/zinc/95/83/70/487958370.db2.gz GZDIHWDUHQETOA-WCQYABFASA-N 2 0 239.363 0.573 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000571999319 323520544 /nfs/dbraw/zinc/52/05/44/323520544.db2.gz GQIQGOLSLUPKBE-SRVKXCTJSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000572003980 323521845 /nfs/dbraw/zinc/52/18/45/323521845.db2.gz ZBASXEYYSDOHBI-MDZLAQPJSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000572003983 323521984 /nfs/dbraw/zinc/52/19/84/323521984.db2.gz ZBASXEYYSDOHBI-NQBHXWOUSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000572156763 323554290 /nfs/dbraw/zinc/55/42/90/323554290.db2.gz XIGCZZBZXSSVGF-WOPDTQHZSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000041680162 487959322 /nfs/dbraw/zinc/95/93/22/487959322.db2.gz QEIOTPZNIZKVBS-VHSXEESVSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000572287978 323588826 /nfs/dbraw/zinc/58/88/26/323588826.db2.gz ZRACBEAQAZIKLN-LOWVWBTDSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]CCCC(=O)NC(C)(C)CC[NH3+] ZINC000572288586 323588838 /nfs/dbraw/zinc/58/88/38/323588838.db2.gz AIEBXAOPZNUXEB-UHFFFAOYSA-N 2 0 201.314 0.230 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC000041679614 487959367 /nfs/dbraw/zinc/95/93/67/487959367.db2.gz WXNPDKANTURVLC-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C[NH3+])C1 ZINC000083889431 487960033 /nfs/dbraw/zinc/96/00/33/487960033.db2.gz OXBNGOAVAARVKY-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000083889432 487959745 /nfs/dbraw/zinc/95/97/45/487959745.db2.gz AILVCSFMXVEHGX-SNVBAGLBSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000122200649 324033602 /nfs/dbraw/zinc/03/36/02/324033602.db2.gz PHYILMJHJZDHGR-SDDRHHMPSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000520810193 324109961 /nfs/dbraw/zinc/10/99/61/324109961.db2.gz IRCACJHNFSAVCL-GARJFASQSA-N 2 0 227.352 0.748 20 0 BCADRP COC[C@@H](O)C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000572475945 324118871 /nfs/dbraw/zinc/11/88/71/324118871.db2.gz AMQYZYNTDKJHKL-LBPRGKRZSA-N 2 0 230.352 0.458 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529347331 324277949 /nfs/dbraw/zinc/27/79/49/324277949.db2.gz CGYYQYVTIQVDLM-ZJUUUORDSA-N 2 0 240.351 0.260 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000530218771 324537352 /nfs/dbraw/zinc/53/73/52/324537352.db2.gz HBLRMGDVRMRREV-BFUDSRACSA-N 2 0 210.321 0.882 20 0 BCADRP [NH3+]CC1CCC([NH2+]C[C@H]2COCCN2)CC1 ZINC000530220620 324539372 /nfs/dbraw/zinc/53/93/72/324539372.db2.gz BWKVQLSYJIQIBL-MCIGGMRASA-N 2 0 227.352 0.082 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CC[NH3+])C1 ZINC000083913564 487966414 /nfs/dbraw/zinc/96/64/14/487966414.db2.gz JZDPZKJPDOPVNZ-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000131722335 325179321 /nfs/dbraw/zinc/17/93/21/325179321.db2.gz KOUGWNKSJYKAEN-LLVKDONJSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000131946326 325192873 /nfs/dbraw/zinc/19/28/73/325192873.db2.gz YSBBRSPIBIXADL-SNVBAGLBSA-N 2 0 227.352 0.762 20 0 BCADRP C[C@@H](O)CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000133697399 325310627 /nfs/dbraw/zinc/31/06/27/325310627.db2.gz LIKSHQMZLVBYJP-AXFHLTTASA-N 2 0 200.326 0.687 20 0 BCADRP [NH3+]CCCCC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000564328359 325384451 /nfs/dbraw/zinc/38/44/51/325384451.db2.gz NYJGAPUECXOMOV-NWDGAFQWSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H](CO)[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000135074791 325392088 /nfs/dbraw/zinc/39/20/88/325392088.db2.gz KDHJJDXICLPTGG-ZNSHCXBVSA-N 2 0 200.326 0.686 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000248973708 325630221 /nfs/dbraw/zinc/63/02/21/325630221.db2.gz DNTHZZDPMINCAA-RCWTZXSCSA-N 2 0 227.352 0.556 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H](C)[NH+](C)C ZINC000122222288 487968985 /nfs/dbraw/zinc/96/89/85/487968985.db2.gz BBRKQSXHSYEQAX-DCAQKATOSA-N 2 0 227.352 0.665 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000554134846 325708195 /nfs/dbraw/zinc/70/81/95/325708195.db2.gz SUGRZBMCZUUYGI-SRVKXCTJSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000564726820 325805321 /nfs/dbraw/zinc/80/53/21/325805321.db2.gz MEENZVGEOJNJCX-FIQHERPVSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000564950707 325825186 /nfs/dbraw/zinc/82/51/86/325825186.db2.gz LGOYKXJHZZECTP-OPRDCNLKSA-N 2 0 213.325 0.357 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000564933871 325828626 /nfs/dbraw/zinc/82/86/26/325828626.db2.gz ZBQXCEKXZOHUMR-ZYHUDNBSSA-N 2 0 225.336 0.326 20 0 BCADRP O=C(NCC1CC[NH2+]CC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000564945904 325831533 /nfs/dbraw/zinc/83/15/33/325831533.db2.gz ZTYVAKOYHMAFQZ-DGCLKSJQSA-N 2 0 237.347 0.102 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1CCCC[NH2+]1 ZINC000564995700 325843366 /nfs/dbraw/zinc/84/33/66/325843366.db2.gz ONOJVSOAPALZGP-NXEZZACHSA-N 2 0 213.325 0.372 20 0 BCADRP CC1(NC(=O)CC[C@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC000564995882 325843709 /nfs/dbraw/zinc/84/37/09/325843709.db2.gz VXQLRVFWLNVJIA-NSHDSACASA-N 2 0 239.363 0.634 20 0 BCADRP O=C(CC1CC[NH2+]CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000565302744 325893831 /nfs/dbraw/zinc/89/38/31/325893831.db2.gz NUEROGAPZCTVOH-TXEJJXNPSA-N 2 0 237.347 0.054 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000565538593 325925013 /nfs/dbraw/zinc/92/50/13/325925013.db2.gz LNYANJDKNRAMEG-VHSXEESVSA-N 2 0 215.341 0.618 20 0 BCADRP [NH3+][C@@H](C(=O)NCCNc1cc[nH+]cc1)C1CCC1 ZINC000566171207 326006193 /nfs/dbraw/zinc/00/61/93/326006193.db2.gz RPUJPWVGFFAFGG-GFCCVEGCSA-N 2 0 248.330 0.159 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000566198137 326011291 /nfs/dbraw/zinc/01/12/91/326011291.db2.gz ZKGGNAZBMUPWBB-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH3+])C(C)C ZINC000566201681 326011757 /nfs/dbraw/zinc/01/17/57/326011757.db2.gz UPZOBXYLSQHRCE-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000566203300 326012351 /nfs/dbraw/zinc/01/23/51/326012351.db2.gz FCXDUQOEGNENBG-JTQLQIEISA-N 2 0 225.336 0.102 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000566214931 326015729 /nfs/dbraw/zinc/01/57/29/326015729.db2.gz PMCTXFTWOJEXTG-MXWKQRLJSA-N 2 0 243.351 0.126 20 0 BCADRP [NH3+][C@H](CNC(=O)C1([NH3+])CC1)c1ccccc1 ZINC000566236924 326021245 /nfs/dbraw/zinc/02/12/45/326021245.db2.gz DXMPKFODHQZIPV-SNVBAGLBSA-N 2 0 219.288 0.294 20 0 BCADRP [NH3+]CCOCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000566244387 326021531 /nfs/dbraw/zinc/02/15/31/326021531.db2.gz YCIOWYXUFCWCDF-QJPTWQEYSA-N 3 0 227.352 0.021 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000566248952 326024198 /nfs/dbraw/zinc/02/41/98/326024198.db2.gz MMJZIRYQLNZIOJ-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@]1(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC[NH2+]1 ZINC000566252268 326024859 /nfs/dbraw/zinc/02/48/59/326024859.db2.gz VNGAFSRCYQQOOA-DMDPSCGWSA-N 2 0 237.347 0.196 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000566296315 326030246 /nfs/dbraw/zinc/03/02/46/326030246.db2.gz FJXUWACBEGVDDK-WOPDTQHZSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(COC)CC1 ZINC000566350907 326034879 /nfs/dbraw/zinc/03/48/79/326034879.db2.gz COGWWCMXOLCTMM-LBPRGKRZSA-N 2 0 230.352 0.315 20 0 BCADRP Cn1cncc1CCC[N@H+](C)[C@H]1CCNC1=O ZINC000566417635 326043233 /nfs/dbraw/zinc/04/32/33/326043233.db2.gz ZPBTVVGTKPUJIM-NSHDSACASA-N 2 0 236.319 0.173 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@@H]1C ZINC000566551348 326063266 /nfs/dbraw/zinc/06/32/66/326063266.db2.gz RMBWKUFHDRSXQH-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCCCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000566551353 326063288 /nfs/dbraw/zinc/06/32/88/326063288.db2.gz SDTXZBDBVUIIOO-GRYCIOLGSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566562243 326064282 /nfs/dbraw/zinc/06/42/82/326064282.db2.gz QDJXZGLSKAFNOS-SECBINFHSA-N 2 0 221.304 0.499 20 0 BCADRP CC[C@]1(C(=O)N[C@@H](C)CCC[NH3+])CCC[NH2+]1 ZINC000566621005 326068973 /nfs/dbraw/zinc/06/89/73/326068973.db2.gz RMIQZPFQEQXCSM-CMPLNLGQSA-N 2 0 227.352 0.762 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)CCC1CC[NH2+]CC1 ZINC000566738552 326078544 /nfs/dbraw/zinc/07/85/44/326078544.db2.gz YHUCIHFJHJMOJU-LLVKDONJSA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]CCCNC(=O)Nc1cc(C)ncc1C ZINC000566785493 326082030 /nfs/dbraw/zinc/08/20/30/326082030.db2.gz QJCUBCDLRFWRFP-UHFFFAOYSA-N 2 0 236.319 0.851 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000566786672 326082557 /nfs/dbraw/zinc/08/25/57/326082557.db2.gz SIDCCXURFVPMFL-SNVBAGLBSA-N 2 0 227.352 0.892 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000566855184 326088397 /nfs/dbraw/zinc/08/83/97/326088397.db2.gz VLJWYAOQINOVQI-ZWNOBZJWSA-N 2 0 247.342 0.727 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000566918039 326093996 /nfs/dbraw/zinc/09/39/96/326093996.db2.gz DQOHWYQDWFGZMT-OUAUKWLOSA-N 2 0 200.326 0.545 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404880396 326101947 /nfs/dbraw/zinc/10/19/47/326101947.db2.gz JDESXNBBZXPWAF-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]CCc1nc([C@H]([NH3+])CC(C)C)no1 ZINC000567110049 326117844 /nfs/dbraw/zinc/11/78/44/326117844.db2.gz ONIGBXVPGGCGOH-MRVPVSSYSA-N 2 0 212.297 0.877 20 0 BCADRP NC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000567179799 326130447 /nfs/dbraw/zinc/13/04/47/326130447.db2.gz VDPFFPPPJLMKEF-UKKRHICBSA-N 2 0 225.336 0.500 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCSC ZINC000567232855 326147394 /nfs/dbraw/zinc/14/73/94/326147394.db2.gz NFJCMXCIKRVOGI-UWVGGRQHSA-N 2 0 247.408 0.701 20 0 BCADRP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]C3CC3)C2)C1 ZINC000567236013 326148604 /nfs/dbraw/zinc/14/86/04/326148604.db2.gz BEUXCFQSADDBAQ-CKYFFXLPSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000567261673 326152354 /nfs/dbraw/zinc/15/23/54/326152354.db2.gz DGVLSQDAZKCKRX-MNOVXSKESA-N 2 0 241.379 0.770 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000567268870 326152743 /nfs/dbraw/zinc/15/27/43/326152743.db2.gz VGJNMPNQNRRYCD-NHCYSSNCSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000567275377 326154365 /nfs/dbraw/zinc/15/43/65/326154365.db2.gz IACLIRCRGPZJJG-GRYCIOLGSA-N 2 0 237.347 0.420 20 0 BCADRP [NH3+][C@H]1CCN(CCOC[C@H]2CCCO2)C1 ZINC000309588852 326160813 /nfs/dbraw/zinc/16/08/13/326160813.db2.gz XTXZORWVZJICRM-WDEREUQCSA-N 2 0 214.309 0.215 20 0 BCADRP C[NH2+]CCCC(=O)N(C)CC(C)(C)C[NH3+] ZINC000309830027 326169875 /nfs/dbraw/zinc/16/98/75/326169875.db2.gz YJCAOXDHDCXDTM-UHFFFAOYSA-N 2 0 215.341 0.429 20 0 BCADRP C[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000309927758 326175397 /nfs/dbraw/zinc/17/53/97/326175397.db2.gz WEUIEXXTSDDSAC-RYUDHWBXSA-N 2 0 230.352 0.050 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(C[NH2+]C)CC1 ZINC000155242349 326189617 /nfs/dbraw/zinc/18/96/17/326189617.db2.gz PTBQICOINHJXMK-JQWIXIFHSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000567454900 326196057 /nfs/dbraw/zinc/19/60/57/326196057.db2.gz BRQHXYBWPXXXSO-LLVKDONJSA-N 2 0 242.367 0.426 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000567469609 326198573 /nfs/dbraw/zinc/19/85/73/326198573.db2.gz PBMLGVJFVWNIMK-JQWIXIFHSA-N 2 0 227.352 0.701 20 0 BCADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)COC)CC1 ZINC000155746737 326210864 /nfs/dbraw/zinc/21/08/64/326210864.db2.gz IRWBZQIBYQTTKO-QWHCGFSZSA-N 2 0 243.395 0.637 20 0 BCADRP [NH3+][C@@H](CNC(=O)CCC1CC[NH2+]CC1)C1CC1 ZINC000156090784 326218924 /nfs/dbraw/zinc/21/89/24/326218924.db2.gz SMDIVXJEOPCLFI-LBPRGKRZSA-N 2 0 239.363 0.620 20 0 BCADRP CC[C@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)[NH+](C)C ZINC000156204349 326221769 /nfs/dbraw/zinc/22/17/69/326221769.db2.gz IQGBQAQNNDPRBW-NEPJUHHUSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]2(C)CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000567586790 326223549 /nfs/dbraw/zinc/22/35/49/326223549.db2.gz HTJSRAFHQXLQIT-CKYFFXLPSA-N 2 0 225.336 0.182 20 0 BCADRP COC[C@@H](O)C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000567683670 326244745 /nfs/dbraw/zinc/24/47/45/326244745.db2.gz UTCFRUGCHXGKIO-TUAOUCFPSA-N 2 0 230.352 0.456 20 0 BCADRP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCCC[C@@H]2O)CCCO1 ZINC000313349201 326263958 /nfs/dbraw/zinc/26/39/58/326263958.db2.gz LLPAAIZVDDVYRB-UPJWGTAASA-N 2 0 242.363 0.587 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000567834830 326266691 /nfs/dbraw/zinc/26/66/91/326266691.db2.gz IECBNXRZCJOYAF-GARJFASQSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)[NH3+] ZINC000567837290 326266942 /nfs/dbraw/zinc/26/69/42/326266942.db2.gz PGPKHKMDBMIIQY-KXNHARMFSA-N 2 0 241.379 0.863 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000567837240 326266992 /nfs/dbraw/zinc/26/69/92/326266992.db2.gz DKGFYKXMEPQLIV-RYUDHWBXSA-N 2 0 239.363 0.716 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000567847262 326269114 /nfs/dbraw/zinc/26/91/14/326269114.db2.gz FYFZFSLEUCPYKZ-TUAOUCFPSA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+]C1(c2noc([C@H]3C[C@]34CC[NH2+]C4)n2)CCC1 ZINC000567852550 326270640 /nfs/dbraw/zinc/27/06/40/326270640.db2.gz ODJSROVVWXPQMQ-KCJUWKMLSA-N 2 0 234.303 0.875 20 0 BCADRP CO[C@@H](C[NH3+])Cc1nc([C@H]([NH3+])CC(C)C)no1 ZINC000567852612 326271333 /nfs/dbraw/zinc/27/13/33/326271333.db2.gz YAXYTYNFVOHQCQ-RKDXNWHRSA-N 2 0 242.323 0.632 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000567900168 326279735 /nfs/dbraw/zinc/27/97/35/326279735.db2.gz UVHLGEXDRZRZTG-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000567913875 326280525 /nfs/dbraw/zinc/28/05/25/326280525.db2.gz RDGMCPYMTNDJTE-PWSUYJOCSA-N 2 0 227.352 0.762 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000567907877 326281610 /nfs/dbraw/zinc/28/16/10/326281610.db2.gz DGGWBGBMYRMYQO-RKDXNWHRSA-N 2 0 249.305 0.569 20 0 BCADRP COCCN1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000567990368 326292650 /nfs/dbraw/zinc/29/26/50/326292650.db2.gz XJBUKDPPBNFHGY-ZDUSSCGKSA-N 2 0 241.379 0.250 20 0 BCADRP CC[C@H](C)C[N@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000568050902 326300377 /nfs/dbraw/zinc/30/03/77/326300377.db2.gz MQIQICZAOQIRCG-QWRGUYRKSA-N 2 0 202.342 0.935 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CO)[C@@H]1C ZINC000568181187 326321777 /nfs/dbraw/zinc/32/17/77/326321777.db2.gz MZCXNXPJVVAYNQ-AVGNSLFASA-N 2 0 244.379 0.392 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC000568211876 326326972 /nfs/dbraw/zinc/32/69/72/326326972.db2.gz MBPNFQRNTNFSAN-UWVGGRQHSA-N 2 0 238.335 0.655 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)c1conc1C(C)(C)[NH3+] ZINC000568230962 326330264 /nfs/dbraw/zinc/33/02/64/326330264.db2.gz IVLOMBPMIUEKLJ-SSDOTTSWSA-N 2 0 240.307 0.193 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000568236140 326332019 /nfs/dbraw/zinc/33/20/19/326332019.db2.gz BEXSPWXBDLDXHP-WPRPVWTQSA-N 2 0 213.325 0.051 20 0 BCADRP NC(=O)C1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000568249090 326334614 /nfs/dbraw/zinc/33/46/14/326334614.db2.gz HFRTVWCTQKAJBV-WDEREUQCSA-N 2 0 239.363 0.892 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)C1C[NH2+]C1 ZINC000568264740 326337241 /nfs/dbraw/zinc/33/72/41/326337241.db2.gz UNKLGQPXLMJOPN-KXUCPTDWSA-N 2 0 225.336 0.051 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000568372281 326350633 /nfs/dbraw/zinc/35/06/33/326350633.db2.gz HDZUDLDUIBPMKQ-GFCCVEGCSA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+][C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000568407110 326354936 /nfs/dbraw/zinc/35/49/36/326354936.db2.gz PPAWZSTZAFJLOZ-TUAOUCFPSA-N 2 0 237.347 0.467 20 0 BCADRP CCCN1CCC[C@H]1C[NH2+]C[C@H](C)O ZINC000568503270 326360611 /nfs/dbraw/zinc/36/06/11/326360611.db2.gz LCCZZTAUMROOBQ-QWRGUYRKSA-N 2 0 200.326 0.831 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000568509287 326360928 /nfs/dbraw/zinc/36/09/28/326360928.db2.gz KADYUPNMUFBRLU-NQBHXWOUSA-N 2 0 237.347 0.102 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1C[C@H](O)C[NH+](C)CC ZINC000568527090 326362948 /nfs/dbraw/zinc/36/29/48/326362948.db2.gz KWAVDRFAYPRMIK-QWHCGFSZSA-N 2 0 243.395 0.325 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000568620394 326367911 /nfs/dbraw/zinc/36/79/11/326367911.db2.gz ZBTABISDLHHQIB-AXFHLTTASA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)c1csc(CC[NH3+])n1 ZINC000568632832 326369862 /nfs/dbraw/zinc/36/98/62/326369862.db2.gz HRIUNQBSVHIKHY-ZETCQYMHSA-N 2 0 242.348 0.111 20 0 BCADRP CC(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000568651014 326371153 /nfs/dbraw/zinc/37/11/53/326371153.db2.gz GAKOZCLFBHLHEN-SRVKXCTJSA-N 2 0 225.336 0.467 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000568664505 326371899 /nfs/dbraw/zinc/37/18/99/326371899.db2.gz OXJHOSHAFMMNIH-NXEZZACHSA-N 2 0 228.340 0.104 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000568664508 326371971 /nfs/dbraw/zinc/37/19/71/326371971.db2.gz OXJHOSHAFMMNIH-ZJUUUORDSA-N 2 0 228.340 0.104 20 0 BCADRP C[C@@H](C(=O)N(CC[NH+](C)C)C1CC1)C1C[NH2+]C1 ZINC000568760237 326375507 /nfs/dbraw/zinc/37/55/07/326375507.db2.gz BYEKAEXVAMFURG-SNVBAGLBSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000568879362 326380962 /nfs/dbraw/zinc/38/09/62/326380962.db2.gz XOIOFOHYCSBEKW-VHSXEESVSA-N 2 0 227.352 0.522 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC000568998441 326386003 /nfs/dbraw/zinc/38/60/03/326386003.db2.gz CXOXIQARVOGSED-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000569018975 326386927 /nfs/dbraw/zinc/38/69/27/326386927.db2.gz GEKXPOKNOKETRA-GHMZBOCLSA-N 2 0 248.330 0.540 20 0 BCADRP [NH3+]CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000569104243 326390037 /nfs/dbraw/zinc/39/00/37/326390037.db2.gz AZNTUZNQDOXIMY-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]CCCN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000569246153 326397680 /nfs/dbraw/zinc/39/76/80/326397680.db2.gz XJWJEILUVKBSSB-ZDUSSCGKSA-N 2 0 234.347 0.637 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000572750382 326408758 /nfs/dbraw/zinc/40/87/58/326408758.db2.gz PCVWGTZOCMZCKV-HOSYDEDBSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NC(C)(C)C[NH3+] ZINC000572759354 326409311 /nfs/dbraw/zinc/40/93/11/326409311.db2.gz ATJUVDQIOQNZIM-SFYZADRCSA-N 2 0 216.329 0.149 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000572856767 326415573 /nfs/dbraw/zinc/41/55/73/326415573.db2.gz NDBOINPQUKBTQF-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[C@@H](C)[NH3+] ZINC000572877638 326416414 /nfs/dbraw/zinc/41/64/14/326416414.db2.gz QNMGXVCYYIIRGK-WYUUTHIRSA-N 2 0 241.379 0.802 20 0 BCADRP C[NH2+]CC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000572999320 326423679 /nfs/dbraw/zinc/42/36/79/326423679.db2.gz RJDJUCYLLONTOS-UHFFFAOYSA-N 2 0 219.288 0.490 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000573094583 326429172 /nfs/dbraw/zinc/42/91/72/326429172.db2.gz JYQADJKLNPGRAD-GMTAPVOTSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000573094585 326429272 /nfs/dbraw/zinc/42/92/72/326429272.db2.gz JYQADJKLNPGRAD-OUAUKWLOSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000573118531 326430474 /nfs/dbraw/zinc/43/04/74/326430474.db2.gz ZLDWWJVPJBAEIJ-WDEREUQCSA-N 2 0 221.304 0.540 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000573206513 326435346 /nfs/dbraw/zinc/43/53/46/326435346.db2.gz CGJZOWIBVZFSPQ-NSHDSACASA-N 2 0 241.379 0.949 20 0 BCADRP C[NH+](C)Cc1ccc(CNC(=O)C[NH3+])cc1F ZINC000573207693 326435348 /nfs/dbraw/zinc/43/53/48/326435348.db2.gz GRWHLTSXPHLLAE-UHFFFAOYSA-N 2 0 239.294 0.462 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000309507444 487979969 /nfs/dbraw/zinc/97/99/69/487979969.db2.gz WISLIDDJIHGNHJ-LLVKDONJSA-N 2 0 213.325 0.372 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000158869140 487981173 /nfs/dbraw/zinc/98/11/73/487981173.db2.gz GGIAELCFSFAUDJ-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@]1(C(=O)NC2CCC([NH3+])CC2)CCC[NH2+]1 ZINC000070619256 487984630 /nfs/dbraw/zinc/98/46/30/487984630.db2.gz JIOWMMIZQDRFSA-CBINBANVSA-N 2 0 225.336 0.515 20 0 BCADRP CC[C@H]([NH3+])c1cn(CC[NH+]2CCCC2)nn1 ZINC000229934845 487999283 /nfs/dbraw/zinc/99/92/83/487999283.db2.gz UBEAHEFXPKXHMW-JTQLQIEISA-N 2 0 223.324 0.784 20 0 BCADRP COc1c(N)ncnc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000134866499 488003207 /nfs/dbraw/zinc/00/32/07/488003207.db2.gz HUFVFYDARYJDPP-MRVPVSSYSA-N 2 0 249.318 0.716 20 0 BCADRP C[NH+]1CCC(CCNC(=O)C2([NH3+])CCC2)CC1 ZINC000229944433 488005865 /nfs/dbraw/zinc/00/58/65/488005865.db2.gz ACOLMZXCRAAFRV-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP CC[N@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCOC1 ZINC000309646769 488009909 /nfs/dbraw/zinc/00/99/09/488009909.db2.gz QRYQIQLJVCXZHQ-NEPJUHHUSA-N 2 0 212.337 0.954 20 0 BCADRP O=C1C[C@H]([NH2+]CCC[NH+]2CCCC2)CCCN1 ZINC000111826969 488012295 /nfs/dbraw/zinc/01/22/95/488012295.db2.gz YWQMGABDYVZWKD-GFCCVEGCSA-N 2 0 239.363 0.731 20 0 BCADRP C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000159350335 488022574 /nfs/dbraw/zinc/02/25/74/488022574.db2.gz PPOUUKQZNXYOIC-GARJFASQSA-N 2 0 225.336 0.289 20 0 BCADRP CC[C@@H]1CN(CC(=O)N2CCCC2)CC[C@@H]1[NH3+] ZINC000147484372 488028389 /nfs/dbraw/zinc/02/83/89/488028389.db2.gz CBKCRSIISMFUFC-NEPJUHHUSA-N 2 0 239.363 0.668 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655442759 488033355 /nfs/dbraw/zinc/03/33/55/488033355.db2.gz ZTTRCSHATAXMQL-WCQYABFASA-N 2 0 239.363 0.444 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@]1(C)CCO[C@@H]1C ZINC000310499352 488033445 /nfs/dbraw/zinc/03/34/45/488033445.db2.gz HMXQXMLUZWTKMO-JHJVBQTASA-N 2 0 244.379 0.845 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000655447304 488036093 /nfs/dbraw/zinc/03/60/93/488036093.db2.gz VKBOWGMFVLUJJC-ONGXEEELSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000655447301 488036711 /nfs/dbraw/zinc/03/67/11/488036711.db2.gz VKBOWGMFVLUJJC-GXSJLCMTSA-N 2 0 225.336 0.195 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655450677 488042238 /nfs/dbraw/zinc/04/22/38/488042238.db2.gz WUVNGQLJEWSBTA-WCQYABFASA-N 2 0 239.363 0.492 20 0 BCADRP C[C@@H]1C[C@H](C)N(C[C@@]23C[C@@H]2C[NH2+]C3)C[C@@H]1C[NH3+] ZINC000663496478 488045551 /nfs/dbraw/zinc/04/55/51/488045551.db2.gz GSTBFAJFDSTNAD-HTOAHKCRSA-N 2 0 237.391 0.901 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655451134 488046513 /nfs/dbraw/zinc/04/65/13/488046513.db2.gz CSXMHAKWENVOAP-JFGNBEQYSA-N 2 0 225.336 0.230 20 0 BCADRP CC[C@H](C)[N@H+](CC)CCC(=O)N1CC[NH2+]CC1 ZINC000053298600 488047020 /nfs/dbraw/zinc/04/70/20/488047020.db2.gz XGPWPQZCSOUAKD-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000091395013 488049126 /nfs/dbraw/zinc/04/91/26/488049126.db2.gz GDVSWGRFPSCHLH-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000084420054 488051601 /nfs/dbraw/zinc/05/16/01/488051601.db2.gz RERMJSUGTIBHBM-NSHDSACASA-N 2 0 227.352 0.537 20 0 BCADRP C[NH2+]Cc1cn(CC[NH+]2CCCC2)nn1 ZINC000052377435 488054838 /nfs/dbraw/zinc/05/48/38/488054838.db2.gz FBAFZVOGOYWIPC-UHFFFAOYSA-N 2 0 209.297 0.093 20 0 BCADRP C[C@]1(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CCC[NH2+]C1 ZINC000342761185 488059051 /nfs/dbraw/zinc/05/90/51/488059051.db2.gz RVCGIGVNAWLUAN-MDZLAQPJSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCNC2=O)C1 ZINC000656200905 488067709 /nfs/dbraw/zinc/06/77/09/488067709.db2.gz YIGINSCMARBBCU-GMTAPVOTSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000515174463 488071534 /nfs/dbraw/zinc/07/15/34/488071534.db2.gz JIAYQAPTJXYZFS-OLZOCXBDSA-N 3 0 241.379 0.032 20 0 BCADRP Cc1ncccc1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397018734 488072134 /nfs/dbraw/zinc/07/21/34/488072134.db2.gz QKXNUYQOZHRVBB-UHFFFAOYSA-N 2 0 235.331 0.676 20 0 BCADRP C([C@@H]1CC[NH2+]C1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257661440 488078005 /nfs/dbraw/zinc/07/80/05/488078005.db2.gz GJVIAXMAGIDGDE-GFCCVEGCSA-N 3 0 223.364 0.671 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000257670655 488078507 /nfs/dbraw/zinc/07/85/07/488078507.db2.gz GINCEYOXQWEWGF-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000178807471 488079122 /nfs/dbraw/zinc/07/91/22/488079122.db2.gz FNXFNKZMTPKMDM-WCQGTBRESA-N 2 0 239.363 0.700 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH3+])C1 ZINC000389169803 488079386 /nfs/dbraw/zinc/07/93/86/488079386.db2.gz NNACNANAMJMRME-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[NH2+]C1 ZINC000257676047 488079256 /nfs/dbraw/zinc/07/92/56/488079256.db2.gz HSFQVGMRDAOIRD-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC)C1 ZINC000389195347 488080437 /nfs/dbraw/zinc/08/04/37/488080437.db2.gz WZSUXHSHJBFXHA-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000257726325 488084411 /nfs/dbraw/zinc/08/44/11/488084411.db2.gz VMGVIFVXOYRIDP-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257743543 488087334 /nfs/dbraw/zinc/08/73/34/488087334.db2.gz ZHPCHZRGAJRFTB-CHWSQXEVSA-N 2 0 223.364 0.671 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000236766014 488088002 /nfs/dbraw/zinc/08/80/02/488088002.db2.gz NWVMCYOKKCUWMQ-LBPRGKRZSA-N 2 0 239.363 0.729 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)CC[NH2+]C ZINC000417448642 488092908 /nfs/dbraw/zinc/09/29/08/488092908.db2.gz VSQOEZSCLMWVJN-LLVKDONJSA-N 2 0 244.383 0.578 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)CC[C@H](C)[NH3+])C1 ZINC000389400396 488094571 /nfs/dbraw/zinc/09/45/71/488094571.db2.gz PLLCKDGOBGVMLV-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP C(c1nc([C@@H]2CCC[NH2+]2)no1)[C@H]1CCC[NH2+]1 ZINC000257994788 488094829 /nfs/dbraw/zinc/09/48/29/488094829.db2.gz LVRQLDHKDXHHCW-BDAKNGLRSA-N 2 0 222.292 0.789 20 0 BCADRP CCC[NH2+]CCNC(=O)CCC[NH2+]C ZINC000236907231 488098208 /nfs/dbraw/zinc/09/82/08/488098208.db2.gz RSGHBQSWUIDNLA-UHFFFAOYSA-N 2 0 201.314 0.102 20 0 BCADRP C1C[NH2+][C@@H](c2noc(C3CC[NH2+]CC3)n2)C1 ZINC000258061082 488098691 /nfs/dbraw/zinc/09/86/91/488098691.db2.gz PSLAZFDJEKRWPB-SECBINFHSA-N 2 0 222.292 0.961 20 0 BCADRP COC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000310538627 488099479 /nfs/dbraw/zinc/09/94/79/488099479.db2.gz QAIAEYHTPNIEDW-OLZOCXBDSA-N 2 0 244.379 0.656 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000389650360 488104403 /nfs/dbraw/zinc/10/44/03/488104403.db2.gz NYSKIYLVBYFXED-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000389706384 488106884 /nfs/dbraw/zinc/10/68/84/488106884.db2.gz DEZBLWVLAXXFQO-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[C@H]([NH3+])C1 ZINC000378832529 488107720 /nfs/dbraw/zinc/10/77/20/488107720.db2.gz KRFZDQQURZYQJE-LPEHRKFASA-N 2 0 211.309 0.064 20 0 BCADRP O=C(c1cccc2c1C[NH2+]C2)N1CC[NH2+]CC1 ZINC000258227018 488107438 /nfs/dbraw/zinc/10/74/38/488107438.db2.gz RLTJLKPHXJCNOG-UHFFFAOYSA-N 2 0 231.299 0.335 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000389730812 488109562 /nfs/dbraw/zinc/10/95/62/488109562.db2.gz JQUFVOXHZGERBL-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669509782 488110883 /nfs/dbraw/zinc/11/08/83/488110883.db2.gz VLVKSUBUNFENJW-SECBINFHSA-N 2 0 234.303 0.366 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[NH2+]C1CC1 ZINC000669510361 488112653 /nfs/dbraw/zinc/11/26/53/488112653.db2.gz PIVRRSPVJJAMOK-LLVKDONJSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N(C)CCC[NH3+])C1 ZINC000669512038 488116831 /nfs/dbraw/zinc/11/68/31/488116831.db2.gz SPAPTGQOMUANKX-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000669511857 488116884 /nfs/dbraw/zinc/11/68/84/488116884.db2.gz JULLOQHPWISJOF-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CC1 ZINC000237195375 488116980 /nfs/dbraw/zinc/11/69/80/488116980.db2.gz NTZCUDGLFZLKIV-GRYCIOLGSA-N 2 0 239.363 0.570 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)CC1([NH3+])CCC1 ZINC000669512357 488117792 /nfs/dbraw/zinc/11/77/92/488117792.db2.gz IHYHYQXADINTFM-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000669512129 488118111 /nfs/dbraw/zinc/11/81/11/488118111.db2.gz YBBSQHPFJJSIAO-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[NH2+]CC1(C)C ZINC000669512397 488118925 /nfs/dbraw/zinc/11/89/25/488118925.db2.gz OUWYCYHTDWHJLP-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000669512441 488118727 /nfs/dbraw/zinc/11/87/27/488118727.db2.gz VOBGOPYMYZEHPT-GXFFZTMASA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H]1CN(C(=O)CC2([NH3+])CCC2)[C@@H](C)C[NH2+]1 ZINC000669513559 488121473 /nfs/dbraw/zinc/12/14/73/488121473.db2.gz JDIHFHLQHXPHIZ-ZJUUUORDSA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H](C)[C@H](C)[NH3+])CC[NH2+]1 ZINC000669514699 488123765 /nfs/dbraw/zinc/12/37/65/488123765.db2.gz ADNCHCLYEQZWFQ-OUAUKWLOSA-N 2 0 227.352 0.426 20 0 BCADRP C[C@]1(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CCC[NH2+]1 ZINC000669516093 488125833 /nfs/dbraw/zinc/12/58/33/488125833.db2.gz QVZNWXCXRFOZRD-NQBHXWOUSA-N 2 0 237.347 0.339 20 0 BCADRP CC[C@H]1CN(C(=O)[C@@H]([NH3+])CC(C)C)CC[C@H]1[NH3+] ZINC000669516052 488125845 /nfs/dbraw/zinc/12/58/45/488125845.db2.gz PQWOCJKUDJZEPT-TUAOUCFPSA-N 2 0 241.379 0.946 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669515875 488126124 /nfs/dbraw/zinc/12/61/24/488126124.db2.gz IAMOQNZZKZRTOQ-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@]1(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CCC[NH2+]1 ZINC000669516092 488125978 /nfs/dbraw/zinc/12/59/78/488125978.db2.gz QVZNWXCXRFOZRD-GMXVVIOVSA-N 2 0 237.347 0.339 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000669516211 488126699 /nfs/dbraw/zinc/12/66/99/488126699.db2.gz XXEUUCWLASQUDP-GRYCIOLGSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000669517066 488127464 /nfs/dbraw/zinc/12/74/64/488127464.db2.gz ZCIOUWIGJJLXMI-OIBJUYFYSA-N 2 0 241.722 0.803 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000669517865 488128624 /nfs/dbraw/zinc/12/86/24/488128624.db2.gz JPSOKVUTWIHEKT-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](C)CO)C1 ZINC000121144754 490076738 /nfs/dbraw/zinc/07/67/38/490076738.db2.gz BPNXUTKZGRIRGC-VXGBXAGGSA-N 2 0 214.353 0.888 20 0 BCADRP CC(C)C[C@@H](C)CN(CC[NH3+])C[C@@H](O)CO ZINC000662288963 487539004 /nfs/dbraw/zinc/53/90/04/487539004.db2.gz WDBHTVLPFSNDIY-VXGBXAGGSA-N 2 0 232.368 0.283 20 0 BCADRP COC[C@@H](C[NH2+][C@@H]1CC[NH2+]CC1(C)C)OC ZINC000300857404 487541345 /nfs/dbraw/zinc/54/13/45/487541345.db2.gz OQLKUTLQPMHSOR-GHMZBOCLSA-N 2 0 230.352 0.626 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)c1ccc(C[NH3+])o1 ZINC000094570778 487544425 /nfs/dbraw/zinc/54/44/25/487544425.db2.gz PZMGHQNCJYUPOS-SECBINFHSA-N 2 0 239.319 0.808 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674285573 487545574 /nfs/dbraw/zinc/54/55/74/487545574.db2.gz KJDREKPTSDAUJY-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP C[NH+]1CCC(CNC(=O)CCC(C)(C)[NH3+])CC1 ZINC000070088297 487547779 /nfs/dbraw/zinc/54/77/79/487547779.db2.gz JIFOOZHNVXBYKN-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)[NH+](C)C ZINC000674289297 487550333 /nfs/dbraw/zinc/55/03/33/487550333.db2.gz DCAUHQWOWWDMEE-WDEREUQCSA-N 2 0 227.352 0.347 20 0 BCADRP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000674289246 487550668 /nfs/dbraw/zinc/55/06/68/487550668.db2.gz BKVJTNAQVXCZRS-CMPLNLGQSA-N 2 0 239.363 0.632 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[NH+](C)C)[C@@H]1C[NH3+] ZINC000167948731 487476194 /nfs/dbraw/zinc/47/61/94/487476194.db2.gz XGADWNMWFKJVAC-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000161041851 487473652 /nfs/dbraw/zinc/47/36/52/487473652.db2.gz NGTALKDOFBHBFQ-NSHDSACASA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CC(C)(C)[NH3+] ZINC000237525834 487481554 /nfs/dbraw/zinc/48/15/54/487481554.db2.gz QBZAZHYZNHWFHE-VHSXEESVSA-N 2 0 227.352 0.842 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000086067808 487477479 /nfs/dbraw/zinc/47/74/79/487477479.db2.gz ZGNWYABTMPDFPL-ZJUUUORDSA-N 2 0 213.325 0.052 20 0 BCADRP CN(CC[NH+](C)C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000673917667 487478117 /nfs/dbraw/zinc/47/81/17/487478117.db2.gz XIMVAXPWXZUIBZ-LLVKDONJSA-N 2 0 227.352 0.491 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000295010398 487478569 /nfs/dbraw/zinc/47/85/69/487478569.db2.gz MCICPGCUSCIVAL-IUCAKERBSA-N 2 0 234.303 0.664 20 0 BCADRP Cc1c[nH+]ccc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405458186 487484835 /nfs/dbraw/zinc/48/48/35/487484835.db2.gz IBWHAEQYAJLAIN-NWDGAFQWSA-N 2 0 233.315 0.645 20 0 BCADRP CN(C[C@H]1CCC[N@@H+]1C)C[C@@H]1C[NH2+]CCO1 ZINC000086188768 487489754 /nfs/dbraw/zinc/48/97/54/487489754.db2.gz UANDYZQIPHZHPZ-NEPJUHHUSA-N 2 0 227.352 0.001 20 0 BCADRP C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000237611312 487492681 /nfs/dbraw/zinc/49/26/81/487492681.db2.gz MOAZCHKJLDAXSW-CMPLNLGQSA-N 2 0 235.331 0.753 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)C(C)(C)C ZINC000393963677 487494096 /nfs/dbraw/zinc/49/40/96/487494096.db2.gz JSZHLFOOGXZGRS-VXGBXAGGSA-N 2 0 246.395 0.684 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@@H]2CCC(=O)N2)C1 ZINC000086404427 487500891 /nfs/dbraw/zinc/50/08/91/487500891.db2.gz IMMZTIHIOJACTC-GUBZILKMSA-N 2 0 211.309 0.125 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334341310 487501908 /nfs/dbraw/zinc/50/19/08/487501908.db2.gz IXYAIAJZNQOBPT-CMPLNLGQSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000381244348 487503233 /nfs/dbraw/zinc/50/32/33/487503233.db2.gz NWLSOILLTIKIDW-OPRDCNLKSA-N 2 0 211.309 0.077 20 0 BCADRP CC(C)([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000169811077 487508164 /nfs/dbraw/zinc/50/81/64/487508164.db2.gz STSKGCHECSEFCN-UHFFFAOYSA-N 2 0 207.277 0.821 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000381436221 487508467 /nfs/dbraw/zinc/50/84/67/487508467.db2.gz XYZWNXFEMPPDQG-AEJSXWLSSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH2+]CCC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000381479634 487509507 /nfs/dbraw/zinc/50/95/07/487509507.db2.gz CDUJQRXCPGTTQH-SNVBAGLBSA-N 2 0 213.325 0.052 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449485125 487510197 /nfs/dbraw/zinc/51/01/97/487510197.db2.gz OZBNCVQUJOVSFM-MXWKQRLJSA-N 2 0 227.352 0.761 20 0 BCADRP [NH3+]C1(CC(=O)NCC[NH2+]C2CC2)CCC1 ZINC000237811448 487518355 /nfs/dbraw/zinc/51/83/55/487518355.db2.gz NIOMUZUZYRACAP-UHFFFAOYSA-N 2 0 211.309 0.126 20 0 BCADRP COC[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)OC ZINC000662273451 487521606 /nfs/dbraw/zinc/52/16/06/487521606.db2.gz MQRDAUSPGXTJKT-XQQFMLRXSA-N 2 0 242.363 0.579 20 0 BCADRP CCc1nn(C)cc1C[NH2+]C[C@H](C)C[NH3+] ZINC000379861714 488155100 /nfs/dbraw/zinc/15/51/00/488155100.db2.gz MFRQLWYQERCXNK-SECBINFHSA-N 2 0 210.325 0.667 20 0 BCADRP CCn1cc(C[NH2+][C@@H](C)CCCC[NH3+])nn1 ZINC000404412875 488156367 /nfs/dbraw/zinc/15/63/67/488156367.db2.gz ARBXLIQNHOAQSU-JTQLQIEISA-N 2 0 225.340 0.905 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000353423244 487704188 /nfs/dbraw/zinc/70/41/88/487704188.db2.gz COIQECNTXWANKJ-RHYQMDGZSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCOC1 ZINC000657573708 488136958 /nfs/dbraw/zinc/13/69/58/488136958.db2.gz PJZFRYYEBITTNU-QWHCGFSZSA-N 2 0 243.395 0.637 20 0 BCADRP O[C@H](C[NH2+]C[C@@H]1CC[C@@H](O)C1)C[NH+]1CCCC1 ZINC000227689527 488138825 /nfs/dbraw/zinc/13/88/25/488138825.db2.gz DMRLJKQTDKEFHC-JHJVBQTASA-N 2 0 242.363 0.194 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]([NH3+])CC(C)C ZINC000669520222 488139538 /nfs/dbraw/zinc/13/95/38/488139538.db2.gz BZQFCXNTWXDWDE-DTWKUNHWSA-N 2 0 201.314 0.213 20 0 BCADRP CN(C[C@H]1CC[NH2+]C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000259031281 488148493 /nfs/dbraw/zinc/14/84/93/488148493.db2.gz ZQWAMEQOZKOCPA-QWHCGFSZSA-N 2 0 225.380 0.870 20 0 BCADRP CC1(C)CN(C(=O)CC2([NH3+])CCC2)CC[NH2+]1 ZINC000669520963 488149525 /nfs/dbraw/zinc/14/95/25/488149525.db2.gz MHHQDKBHGHMEIT-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP Cn1nccc1CC[NH+]1CCC([NH3+])CC1 ZINC000230745379 488150738 /nfs/dbraw/zinc/15/07/38/488150738.db2.gz BMKSBFYWLPUPFF-UHFFFAOYSA-N 2 0 208.309 0.386 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000669521156 488150812 /nfs/dbraw/zinc/15/08/12/488150812.db2.gz HQSIKHQBQXUSRA-QMMMGPOBSA-N 2 0 215.341 0.603 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000237404547 488155243 /nfs/dbraw/zinc/15/52/43/488155243.db2.gz PQQQCZKPCQJRFK-NXEZZACHSA-N 2 0 227.352 0.700 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@H+](CCc2ccnn2C)C1 ZINC000230764504 488155820 /nfs/dbraw/zinc/15/58/20/488155820.db2.gz XIJDADZVXIXERP-LBPRGKRZSA-N 2 0 236.363 0.894 20 0 BCADRP C[C@@H]1CC[N@H+](CCc2ccnn2C)C[C@@H]1C[NH3+] ZINC000230775651 488156800 /nfs/dbraw/zinc/15/68/00/488156800.db2.gz UZTIIHPDGZEECP-NEPJUHHUSA-N 2 0 236.363 0.879 20 0 BCADRP Cn1nccc1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000230775128 488156826 /nfs/dbraw/zinc/15/68/26/488156826.db2.gz JDPFGMUXOVRVHY-PHIMTYICSA-N 2 0 220.320 0.114 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)CC1([NH3+])CCC1 ZINC000648179268 488165465 /nfs/dbraw/zinc/16/54/65/488165465.db2.gz AZYVPZORUDLTRH-UHFFFAOYSA-N 2 0 213.325 0.502 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)CC(C)(C)[NH3+] ZINC000390557814 488166500 /nfs/dbraw/zinc/16/65/00/488166500.db2.gz QZSXRSMEQWAWBH-DTWKUNHWSA-N 2 0 213.325 0.452 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC(=O)N1 ZINC000380044616 488169243 /nfs/dbraw/zinc/16/92/43/488169243.db2.gz VKZNJMFARHQURA-ZJUUUORDSA-N 2 0 213.325 0.372 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N(C)CCC[NH3+] ZINC000380157331 488175719 /nfs/dbraw/zinc/17/57/19/488175719.db2.gz ZMBGHLICWYIGRC-SNVBAGLBSA-N 2 0 201.314 0.311 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000167527944 488175930 /nfs/dbraw/zinc/17/59/30/488175930.db2.gz XPYQBTPMGIMFMN-SDDRHHMPSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CC(C)(C)[NH3+] ZINC000309778517 488192058 /nfs/dbraw/zinc/19/20/58/488192058.db2.gz MIRUZAARBVLCDI-RKDXNWHRSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CC(C)(C)[NH3+] ZINC000309778512 488192304 /nfs/dbraw/zinc/19/23/04/488192304.db2.gz MIRUZAARBVLCDI-BDAKNGLRSA-N 2 0 213.325 0.310 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)CC2([NH3+])CC2)C1 ZINC000398099980 488210448 /nfs/dbraw/zinc/21/04/48/488210448.db2.gz HIJRTVIVVJNYCL-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH+](C)CC1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000398113628 488211422 /nfs/dbraw/zinc/21/14/22/488211422.db2.gz XXSWPNNXOZPDJJ-UHFFFAOYSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@@H](C(=O)N(C)CCC[NH+](C)C)[NH+](C)C ZINC000678866901 488291822 /nfs/dbraw/zinc/29/18/22/488291822.db2.gz GLPXEGJCHPLJSD-JTQLQIEISA-N 2 0 215.341 0.347 20 0 BCADRP C[C@@H](C(=O)NCC1=CC[N@H+](C)CC1)[NH+](C)C ZINC000678882638 488293418 /nfs/dbraw/zinc/29/34/18/488293418.db2.gz HKJFFFPJXBPMNX-JTQLQIEISA-N 2 0 225.336 0.315 20 0 BCADRP CC(C)C[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000055083643 488342954 /nfs/dbraw/zinc/34/29/54/488342954.db2.gz NGOPTYLKYJWHNY-CYBMUJFWSA-N 2 0 241.379 0.248 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H](C)[NH+](C)C ZINC000078740014 490057802 /nfs/dbraw/zinc/05/78/02/490057802.db2.gz CSSXNMITJGOVKL-NSHDSACASA-N 2 0 229.368 0.785 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000662396589 490065208 /nfs/dbraw/zinc/06/52/08/490065208.db2.gz YNYRPIFXJSCSBA-LLVKDONJSA-N 2 0 239.363 0.490 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662406524 490066587 /nfs/dbraw/zinc/06/65/87/490066587.db2.gz GCVXPHQWRZZWED-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662406526 490066686 /nfs/dbraw/zinc/06/66/86/490066686.db2.gz GCVXPHQWRZZWED-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+](C)C[C@H]1CCCCN1C(=O)CC1([NH3+])CC1 ZINC000404931593 490131774 /nfs/dbraw/zinc/13/17/74/490131774.db2.gz MGBDSWYBTXSENB-LLVKDONJSA-N 2 0 239.363 0.811 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000162037526 490136939 /nfs/dbraw/zinc/13/69/39/490136939.db2.gz ODTYGLIAGVGRCG-MXWKQRLJSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000375429979 490142886 /nfs/dbraw/zinc/14/28/86/490142886.db2.gz UVKRUZYTSSVJOJ-ZRUFSTJUSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000566198898 490203787 /nfs/dbraw/zinc/20/37/87/490203787.db2.gz GOMYEXJGEBWKMP-AXFHLTTASA-N 2 0 225.336 0.100 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[NH+](C)C ZINC000237445795 490210012 /nfs/dbraw/zinc/21/00/12/490210012.db2.gz IXMMJYXEPXPYRM-UTLUCORTSA-N 2 0 213.325 0.145 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000575780263 490217365 /nfs/dbraw/zinc/21/73/65/490217365.db2.gz IQGRRUOVFTXROV-OUJBWJOFSA-N 2 0 239.363 0.476 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)[NH+](C)C)[N@H+](C)C1CC1 ZINC000078711936 490220346 /nfs/dbraw/zinc/22/03/46/490220346.db2.gz IRWLRKFJNQOKBP-ZJUUUORDSA-N 2 0 227.352 0.535 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)[NH+](C)C ZINC000407298453 490245655 /nfs/dbraw/zinc/24/56/55/490245655.db2.gz AYLGKLKJKSQWLN-ADEWGFFLSA-N 2 0 239.363 0.583 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000662966706 490245936 /nfs/dbraw/zinc/24/59/36/490245936.db2.gz UWNLUWLISZUEMS-SECBINFHSA-N 2 0 233.315 0.628 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000662967973 490247598 /nfs/dbraw/zinc/24/75/98/490247598.db2.gz DCPZBFPIGZJHRI-UMNHJUIQSA-N 2 0 225.336 0.100 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662968191 490249189 /nfs/dbraw/zinc/24/91/89/490249189.db2.gz GNCWZFUHUAUEOA-ZETCQYMHSA-N 2 0 240.307 0.206 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CC(C)(C)[NH3+] ZINC000669511419 490397931 /nfs/dbraw/zinc/39/79/31/490397931.db2.gz CHBWDHCIHFIKSQ-GFCCVEGCSA-N 2 0 229.368 0.994 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)NC[C@H]1CCCC[NH2+]1 ZINC000130732512 490449463 /nfs/dbraw/zinc/44/94/63/490449463.db2.gz RUZSQKFEJVEOJI-GHMZBOCLSA-N 2 0 225.336 0.387 20 0 BCADRP [NH3+]C1(CC(=O)NC[C@@H]2CCCC[NH2+]2)CCC1 ZINC000130753372 490452659 /nfs/dbraw/zinc/45/26/59/490452659.db2.gz WWKODIKSKOLQLU-JTQLQIEISA-N 2 0 225.336 0.516 20 0 BCADRP CC(=O)N[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000131006747 490467775 /nfs/dbraw/zinc/46/77/75/490467775.db2.gz TXMFKVOEKPZTEA-QWHCGFSZSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]C2CSC2)CC1 ZINC000306304329 490632808 /nfs/dbraw/zinc/63/28/08/490632808.db2.gz DCVXSDYFZZARNB-UHFFFAOYSA-N 2 0 216.350 0.148 20 0 BCADRP c1cn2c(n1)C[C@@H]([NH2+]C1CSC1)CC2 ZINC000307197073 490655207 /nfs/dbraw/zinc/65/52/07/490655207.db2.gz UUSRVBSGVJESOP-QMMMGPOBSA-N 2 0 209.318 0.903 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)CC[NH2+]C(C)C ZINC000131813976 490659711 /nfs/dbraw/zinc/65/97/11/490659711.db2.gz SWFGPASKRSVGDW-UHFFFAOYSA-N 2 0 229.368 0.879 20 0 BCADRP CC[C@@H](C)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685618 491090526 /nfs/dbraw/zinc/09/05/26/491090526.db2.gz GYRRXHSKWVPMAA-GFCCVEGCSA-N 2 0 241.379 0.738 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000662406947 491100182 /nfs/dbraw/zinc/10/01/82/491100182.db2.gz NTOJSKBBQLEWJT-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000669514402 491122896 /nfs/dbraw/zinc/12/28/96/491122896.db2.gz UNPPUKZSJDUEDR-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP CN(CC[NH+]1CCCCC1)C[C@@H]1C[NH2+]CCO1 ZINC000126615687 491131979 /nfs/dbraw/zinc/13/19/79/491131979.db2.gz WYPHJENVSPUAQX-ZDUSSCGKSA-N 2 0 241.379 0.393 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000131937296 491134280 /nfs/dbraw/zinc/13/42/80/491134280.db2.gz SSBAJSNHJZHQGO-LBPRGKRZSA-N 2 0 235.331 0.364 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCC(=O)N(C)C)CC[N@@H+]1C ZINC000132209673 491134744 /nfs/dbraw/zinc/13/47/44/491134744.db2.gz MYAGVJIDDSEIBY-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H]1CN(C)C[C@H]1[NH2+]CC(C)(C)CO ZINC000308686555 491137770 /nfs/dbraw/zinc/13/77/70/491137770.db2.gz ZSUMOJDQSNVIRH-VHSXEESVSA-N 2 0 200.326 0.545 20 0 BCADRP C[C@@H]([NH2+]CC(C)(C)C(N)=O)C1CC[NH+](C)CC1 ZINC000224355004 491153194 /nfs/dbraw/zinc/15/31/94/491153194.db2.gz UONCGJZMWGJNNT-SNVBAGLBSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H](C(=O)N(C)CC(C)(C)C[NH+](C)C)[NH+](C)C ZINC000890879088 582584100 /nfs/dbraw/zinc/58/41/00/582584100.db2.gz OCRASWAMZNWRLG-LLVKDONJSA-N 2 0 243.395 0.983 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000493897309 533805457 /nfs/dbraw/zinc/80/54/57/533805457.db2.gz NDODYNJMQCYJSI-GARJFASQSA-N 2 0 227.352 0.748 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC[NH2+]CC ZINC000261530798 535527756 /nfs/dbraw/zinc/52/77/56/535527756.db2.gz DDBBZESOTINKEE-SNVBAGLBSA-N 2 0 201.314 0.230 20 0 BCADRP CCOC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000261530172 535689953 /nfs/dbraw/zinc/68/99/53/535689953.db2.gz XPVVRBQCGRBEDU-GARJFASQSA-N 2 0 200.326 0.999 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494643299 534075954 /nfs/dbraw/zinc/07/59/54/534075954.db2.gz PKUPZSKWNVDLOO-UTUOFQBUSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000891438377 582685665 /nfs/dbraw/zinc/68/56/65/582685665.db2.gz QKVZAIHINBYQHR-OUAUKWLOSA-N 2 0 240.351 0.212 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000891970329 582749837 /nfs/dbraw/zinc/74/98/37/582749837.db2.gz FBICCBGGUYAWTO-AXFHLTTASA-N 2 0 240.351 0.165 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891986758 582753064 /nfs/dbraw/zinc/75/30/64/582753064.db2.gz MDSCYBJGHMROQF-WDEREUQCSA-N 2 0 242.367 0.506 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000335522241 517438912 /nfs/dbraw/zinc/43/89/12/517438912.db2.gz SPQUWZKHOPYQBM-UHFFFAOYSA-N 2 0 241.379 0.914 20 0 BCADRP CC[NH2+]CCNC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000891996757 582757357 /nfs/dbraw/zinc/75/73/57/582757357.db2.gz FHBFLLKEIFPNGD-NSHDSACASA-N 2 0 242.367 0.509 20 0 BCADRP C[NH2+]CCNC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000891994583 582756146 /nfs/dbraw/zinc/75/61/46/582756146.db2.gz XHNCIVYICQRXJQ-UHFFFAOYSA-N 2 0 242.367 0.509 20 0 BCADRP C[NH+](C)Cc1ccnc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000237061424 517907806 /nfs/dbraw/zinc/90/78/06/517907806.db2.gz QGHOZTMTEYIVQE-LLVKDONJSA-N 2 0 248.330 0.834 20 0 BCADRP CC(C)([NH3+])CNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000892034777 582766972 /nfs/dbraw/zinc/76/69/72/582766972.db2.gz UICXXNSRVNVTSV-BXKDBHETSA-N 2 0 240.351 0.308 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892036969 582769062 /nfs/dbraw/zinc/76/90/62/582769062.db2.gz SHUZZTRSRWQXOT-MGCOHNPYSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000892044644 582770532 /nfs/dbraw/zinc/77/05/32/582770532.db2.gz LRMSHZGEBGJAQU-MNOVXSKESA-N 2 0 242.367 0.494 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N(C)CCCCCC[NH3+] ZINC000892045718 582771739 /nfs/dbraw/zinc/77/17/39/582771739.db2.gz UUJWZANBKHVJIW-LLVKDONJSA-N 2 0 244.383 0.742 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000892052716 582775879 /nfs/dbraw/zinc/77/58/79/582775879.db2.gz FJLJIONLJVKGQK-JFGNBEQYSA-N 2 0 240.351 0.308 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)NCCC(C)(C)[NH3+] ZINC000892052709 582775971 /nfs/dbraw/zinc/77/59/71/582775971.db2.gz FIJGDWZJCQVFMC-MRVPVSSYSA-N 2 0 216.329 0.150 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892142539 582799644 /nfs/dbraw/zinc/79/96/44/582799644.db2.gz VENNVVHMNNBJBX-OPRDCNLKSA-N 2 0 228.340 0.150 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892143669 582799991 /nfs/dbraw/zinc/79/99/91/582799991.db2.gz FJENGMHZQQMVJJ-GUDRVLHUSA-N 2 0 240.351 0.306 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000892143640 582800017 /nfs/dbraw/zinc/80/00/17/582800017.db2.gz FDPLYGZAQFZCRT-GMTAPVOTSA-N 2 0 242.367 0.506 20 0 BCADRP CC(=O)N[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178957827 534663445 /nfs/dbraw/zinc/66/34/45/534663445.db2.gz BSJRWLZHQSAZER-ZDUSSCGKSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000494558180 534680024 /nfs/dbraw/zinc/68/00/24/534680024.db2.gz PFWRJVHLWPLTNE-NEPJUHHUSA-N 2 0 239.363 0.858 20 0 BCADRP COCCOCC[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638093 536494982 /nfs/dbraw/zinc/49/49/82/536494982.db2.gz DFSFADBRBUUYBC-UHFFFAOYSA-N 2 0 218.341 0.566 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000493937165 528345190 /nfs/dbraw/zinc/34/51/90/528345190.db2.gz NZAVLNHSGDTWOD-QWRGUYRKSA-N 2 0 229.368 0.818 20 0 BCADRP CCC[NH2+]CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494684402 528482496 /nfs/dbraw/zinc/48/24/96/528482496.db2.gz DRVQAEARPOPBRO-NSHDSACASA-N 2 0 227.352 0.634 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000494681295 528495548 /nfs/dbraw/zinc/49/55/48/528495548.db2.gz KLFUMUDNVRYOQQ-IJLUTSLNSA-N 2 0 241.379 0.911 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494576560 528515079 /nfs/dbraw/zinc/51/50/79/528515079.db2.gz XIGKDVVAJUZXIB-MNOVXSKESA-N 2 0 227.352 0.618 20 0 BCADRP CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)CCC[NH3+])C1 ZINC000497070961 529008486 /nfs/dbraw/zinc/00/84/86/529008486.db2.gz IJRKUEFQAFPVKO-GHMZBOCLSA-N 2 0 243.351 0.934 20 0 BCADRP CCOC(=O)N1CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000496878523 529022553 /nfs/dbraw/zinc/02/25/53/529022553.db2.gz ZJBOAIDGZDWCPW-MXWKQRLJSA-N 2 0 243.351 0.933 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000335646858 534986358 /nfs/dbraw/zinc/98/63/58/534986358.db2.gz OWPJSGWXUXUHDW-GHMZBOCLSA-N 2 0 211.353 0.716 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342746013 535049416 /nfs/dbraw/zinc/04/94/16/535049416.db2.gz VEVLQBVWECOOAC-GWCFXTLKSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000334166788 535069806 /nfs/dbraw/zinc/06/98/06/535069806.db2.gz APOIQVIVQWRKSK-VIFPVBQESA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000342748314 535075127 /nfs/dbraw/zinc/07/51/27/535075127.db2.gz HNOQYGLOWIPZBR-OUAUKWLOSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000342748311 535075154 /nfs/dbraw/zinc/07/51/54/535075154.db2.gz HNOQYGLOWIPZBR-GARJFASQSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)[C@@H](C(=O)N(C)[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000262637743 535130885 /nfs/dbraw/zinc/13/08/85/535130885.db2.gz QPKKDBWWTZNWSJ-QWRGUYRKSA-N 2 0 227.352 0.393 20 0 BCADRP CC(C)[C@H](O)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000253034156 535161021 /nfs/dbraw/zinc/16/10/21/535161021.db2.gz VGRUQWMWBUBAKY-GARJFASQSA-N 2 0 200.326 0.720 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)C[NH3+])C1 ZINC000262324769 535173851 /nfs/dbraw/zinc/17/38/51/535173851.db2.gz FWHXGBFGIWBELH-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP CCCN(C(=O)CCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000178408354 535200763 /nfs/dbraw/zinc/20/07/63/535200763.db2.gz RTICRHVQBWQUAN-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP CCCN(C(=O)C[NH2+]CC1CC1)[C@H]1CC[NH2+]C1 ZINC000178912754 535205337 /nfs/dbraw/zinc/20/53/37/535205337.db2.gz MXIWICGASQQQMF-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000261574577 535207680 /nfs/dbraw/zinc/20/76/80/535207680.db2.gz JILBOESVBQFCOV-LPEHRKFASA-N 2 0 213.325 0.084 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000158288390 535306781 /nfs/dbraw/zinc/30/67/81/535306781.db2.gz VIFCLEIZCHUCIU-CMPLNLGQSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)[NH+](C)C ZINC000261806443 535322797 /nfs/dbraw/zinc/32/27/97/535322797.db2.gz MFZBVDHPIVWYML-IJLUTSLNSA-N 2 0 241.379 0.768 20 0 BCADRP CC[NH+]1CCC(CCNC(=O)C[C@H](C)[NH3+])CC1 ZINC000261672821 535447172 /nfs/dbraw/zinc/44/71/72/535447172.db2.gz AUHLBSPBXKZYOC-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH+]1CCC(NC[C@@H]2CCC[NH2+]2)CC1 ZINC000233469438 535473675 /nfs/dbraw/zinc/47/36/75/535473675.db2.gz QXEIHUIJAZBFHB-LBPRGKRZSA-N 2 0 211.353 0.812 20 0 BCADRP CC[NH+]1CCC(NC[C@H]2CCC[NH2+]2)CC1 ZINC000233469651 535473719 /nfs/dbraw/zinc/47/37/19/535473719.db2.gz QXEIHUIJAZBFHB-GFCCVEGCSA-N 2 0 211.353 0.812 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@@H](COC)OC)CC1 ZINC000227716068 535474242 /nfs/dbraw/zinc/47/42/42/535474242.db2.gz JTCQZYDMJIALPU-LBPRGKRZSA-N 2 0 230.352 0.722 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@@H]1CC ZINC000261548922 535474699 /nfs/dbraw/zinc/47/46/99/535474699.db2.gz OCFKYCMQGHVEDT-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261544806 535528957 /nfs/dbraw/zinc/52/89/57/535528957.db2.gz JCUPIYJYTFLKEQ-GXSJLCMTSA-N 2 0 213.325 0.357 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C[C@@H](C)[NH3+])C1 ZINC000261921514 535582133 /nfs/dbraw/zinc/58/21/33/535582133.db2.gz XRTJMSDCRSMRDL-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C2C[NH2+]C2)C1 ZINC000262152922 535582314 /nfs/dbraw/zinc/58/23/14/535582314.db2.gz AANYBSZJSLUXSY-NSHDSACASA-N 2 0 239.363 0.396 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)CCC[NH2+]C ZINC000087471735 535652849 /nfs/dbraw/zinc/65/28/49/535652849.db2.gz QNVQYHUHSCOKHP-NXEZZACHSA-N 2 0 215.341 0.428 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000261555489 535754994 /nfs/dbraw/zinc/75/49/94/535754994.db2.gz VBTPBPFKXVDSAC-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000261540094 535758229 /nfs/dbraw/zinc/75/82/29/535758229.db2.gz DSEUYHIBXKHQSY-ONGXEEELSA-N 2 0 213.325 0.324 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351759488 535759629 /nfs/dbraw/zinc/75/96/29/535759629.db2.gz CZDRLDBUXHSZLY-SCVCMEIPSA-N 2 0 227.352 0.700 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089461123 535830827 /nfs/dbraw/zinc/83/08/27/535830827.db2.gz WGPFXACUWRJZCO-NWDGAFQWSA-N 2 0 241.379 0.819 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CCC[NH2+]1 ZINC000262780807 535881946 /nfs/dbraw/zinc/88/19/46/535881946.db2.gz MDDQIKMODLIJFD-DMDPSCGWSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CCC[NH2+]1 ZINC000262991269 535882270 /nfs/dbraw/zinc/88/22/70/535882270.db2.gz ZXJISDRWTKDEIA-NQBHXWOUSA-N 2 0 239.363 0.775 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000335939359 535959586 /nfs/dbraw/zinc/95/95/86/535959586.db2.gz FLAFIJACXINVNH-NWDGAFQWSA-N 2 0 239.363 0.491 20 0 BCADRP CN(CC[NH3+])C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000335656179 536367311 /nfs/dbraw/zinc/36/73/11/536367311.db2.gz JFBMVLXNNWWVDN-UHFFFAOYSA-N 2 0 247.342 0.406 20 0 BCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CC[NH3+])CC[C@H]21 ZINC000227331368 536377506 /nfs/dbraw/zinc/37/75/06/536377506.db2.gz GTZIJQLXKYWIIZ-GHMZBOCLSA-N 2 0 225.336 0.278 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261745023 536391648 /nfs/dbraw/zinc/39/16/48/536391648.db2.gz MCMMPQZFQIMYKK-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000170786976 536453479 /nfs/dbraw/zinc/45/34/79/536453479.db2.gz BQFFPCHPMGTTNV-NWDGAFQWSA-N 2 0 239.363 0.444 20 0 BCADRP CN1CC[C@H]([NH+]2CCC3(CC[NH2+]C3)CC2)C1=O ZINC000335396427 536478050 /nfs/dbraw/zinc/47/80/50/536478050.db2.gz PTOARCFLOAASKD-NSHDSACASA-N 2 0 237.347 0.293 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000217587853 536850304 /nfs/dbraw/zinc/85/03/04/536850304.db2.gz NODBHKITHMWSQE-NEPJUHHUSA-N 2 0 243.395 0.813 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000892849847 582996423 /nfs/dbraw/zinc/99/64/23/582996423.db2.gz FUJWQGNESBMFFM-SNVBAGLBSA-N 2 0 242.367 0.494 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@@H](CO)C2CC2)CC1 ZINC000892965305 583022462 /nfs/dbraw/zinc/02/24/62/583022462.db2.gz HSRKTQMWJVQFIS-LBPRGKRZSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@@]1(NC(=O)c2cccc(C[NH3+])c2)CC[NH2+]C1 ZINC000852929029 588713999 /nfs/dbraw/zinc/71/39/99/588713999.db2.gz XBOPSXJDNHLAHZ-CYBMUJFWSA-N 2 0 233.315 0.627 20 0 BCADRP CCN1CC[C@H]([NH2+]C[C@H](O)c2ccccn2)C1 ZINC000853109398 588720944 /nfs/dbraw/zinc/72/09/44/588720944.db2.gz ZXHFGZGIFWFMMF-AAEUAGOBSA-N 2 0 235.331 0.799 20 0 BCADRP C[N@H+](CC1CC[NH+](C)CC1)CN1CCCC1=O ZINC000113244903 588828233 /nfs/dbraw/zinc/82/82/33/588828233.db2.gz LYJLJIONNJUREG-UHFFFAOYSA-N 2 0 239.363 0.840 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)NC1CC[NH2+]CC1 ZINC000891961431 582748316 /nfs/dbraw/zinc/74/83/16/582748316.db2.gz PACNCAXZEZMJPI-LLVKDONJSA-N 2 0 240.351 0.261 20 0 BCADRP CCN(C(=O)NC1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000891962799 582748707 /nfs/dbraw/zinc/74/87/07/582748707.db2.gz ZFYPOBAPPJRULV-LLVKDONJSA-N 2 0 240.351 0.132 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000891978740 582751554 /nfs/dbraw/zinc/75/15/54/582751554.db2.gz FVYFQHSKKVDRFA-DCAQKATOSA-N 2 0 240.351 0.023 20 0 BCADRP [NH3+]CCCNC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000891985023 582752829 /nfs/dbraw/zinc/75/28/29/582752829.db2.gz RIAUEHIRBNMSLD-JTQLQIEISA-N 2 0 228.340 0.248 20 0 BCADRP C[NH2+]CCNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000891992034 582755039 /nfs/dbraw/zinc/75/50/39/582755039.db2.gz BAHAVBFPRBPESP-SNVBAGLBSA-N 2 0 242.367 0.283 20 0 BCADRP CC[NH2+]CCNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000891996702 582757049 /nfs/dbraw/zinc/75/70/49/582757049.db2.gz CRUFJLJLGCPOMT-UHFFFAOYSA-N 2 0 240.351 0.261 20 0 BCADRP CC[NH2+]CCNC(=O)NCc1cc(N)cc[nH+]1 ZINC000891995727 582757463 /nfs/dbraw/zinc/75/74/63/582757463.db2.gz SYAOHUNUOOOBBR-UHFFFAOYSA-N 2 0 237.307 0.073 20 0 BCADRP CCN(C(=O)NC[C@@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000891998693 582758053 /nfs/dbraw/zinc/75/80/53/582758053.db2.gz FRWDTAFKGYCUEW-QWRGUYRKSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)NCCC(C)(C)[NH3+] ZINC000892146170 582800518 /nfs/dbraw/zinc/80/05/18/582800518.db2.gz NLXQBKLEWIVDRC-YUMQZZPRSA-N 2 0 216.329 0.149 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000892017154 582761825 /nfs/dbraw/zinc/76/18/25/582761825.db2.gz RXWUCVVLFKJDQR-VIFPVBQESA-N 2 0 228.340 0.165 20 0 BCADRP CC(C)([NH3+])CNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892034780 582766873 /nfs/dbraw/zinc/76/68/73/582766873.db2.gz UICXXNSRVNVTSV-SKDRFNHKSA-N 2 0 240.351 0.308 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C(=O)NCC(C)(C)[NH3+] ZINC000892034761 582766882 /nfs/dbraw/zinc/76/68/82/582766882.db2.gz TVTOEMPEWIYUTF-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892040191 582770138 /nfs/dbraw/zinc/77/01/38/582770138.db2.gz JBWDLJDKZWWPRF-DCAQKATOSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000892044979 582772361 /nfs/dbraw/zinc/77/23/61/582772361.db2.gz QSFBMNLSGUUGPJ-CKYFFXLPSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892045231 582773030 /nfs/dbraw/zinc/77/30/30/582773030.db2.gz RMPGBUDDTVEDQM-GRZMOONWSA-N 2 0 240.351 0.247 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892045230 582773259 /nfs/dbraw/zinc/77/32/59/582773259.db2.gz RMPGBUDDTVEDQM-BMQDGWLCSA-N 2 0 240.351 0.247 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000892052688 582775808 /nfs/dbraw/zinc/77/58/08/582775808.db2.gz DYVVAAWPEYBEKA-OPRDCNLKSA-N 2 0 228.340 0.293 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000892057241 582777210 /nfs/dbraw/zinc/77/72/10/582777210.db2.gz XAIAPDILNXFAHW-GMTAPVOTSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N1CC[NH2+]CCC12CCC2 ZINC000892063546 582780218 /nfs/dbraw/zinc/78/02/18/582780218.db2.gz MSWSPEXRROTSJS-SNVBAGLBSA-N 2 0 240.351 0.261 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892089626 582789092 /nfs/dbraw/zinc/78/90/92/582789092.db2.gz UQYYPFFINSPPOU-GUBZILKMSA-N 2 0 228.340 0.150 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000892090656 582789176 /nfs/dbraw/zinc/78/91/76/582789176.db2.gz XNKQKYZPLVRTCC-MMWGEVLESA-N 2 0 240.351 0.293 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCC(C)(C)[NH3+] ZINC000892092546 582789471 /nfs/dbraw/zinc/78/94/71/582789471.db2.gz QXSUPKFUBSMEHX-UWVGGRQHSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000892095869 582789686 /nfs/dbraw/zinc/78/96/86/582789686.db2.gz YWSNUSYBPVUNHT-RCWTZXSCSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000892098127 582790278 /nfs/dbraw/zinc/79/02/78/582790278.db2.gz XRRPLEDLQJCDLE-ZNSHCXBVSA-N 2 0 240.351 0.163 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892101084 582791376 /nfs/dbraw/zinc/79/13/76/582791376.db2.gz BRBDXVHYOMWJHM-NXEZZACHSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000892102775 582791461 /nfs/dbraw/zinc/79/14/61/582791461.db2.gz KISIQIIXXOKKMR-SNVBAGLBSA-N 2 0 242.367 0.637 20 0 BCADRP CCC1([NH3+])CCN(C(=O)NC/C=C/C[NH3+])CC1 ZINC000892123886 582795357 /nfs/dbraw/zinc/79/53/57/582795357.db2.gz IQDQCSZSOZYCLS-ONEGZZNKSA-N 2 0 240.351 0.414 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000892139395 582798470 /nfs/dbraw/zinc/79/84/70/582798470.db2.gz AVBXJKYTVXARIA-WDEREUQCSA-N 2 0 242.367 0.637 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892135728 582798522 /nfs/dbraw/zinc/79/85/22/582798522.db2.gz VPVVJUMPFDPUMJ-MXWKQRLJSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@@H](NC(=O)NC1(C[NH3+])CCCCC1)[C@H](C)[NH3+] ZINC000892144326 582799098 /nfs/dbraw/zinc/79/90/98/582799098.db2.gz VAZISOCDOBCOKX-VHSXEESVSA-N 2 0 242.367 0.683 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892142144 582799336 /nfs/dbraw/zinc/79/93/36/582799336.db2.gz LQAXWIVVEBXHLD-NAKRPEOUSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000892142147 582799503 /nfs/dbraw/zinc/79/95/03/582799503.db2.gz LQAXWIVVEBXHLD-UKKRHICBSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892142141 582799586 /nfs/dbraw/zinc/79/95/86/582799586.db2.gz LQAXWIVVEBXHLD-MMWGEVLESA-N 2 0 240.351 0.258 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)CCCCCC[NH3+] ZINC000892144062 582800532 /nfs/dbraw/zinc/80/05/32/582800532.db2.gz HJOUVEZWNHPBDD-QWRGUYRKSA-N 2 0 244.383 0.883 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892147574 582801622 /nfs/dbraw/zinc/80/16/22/582801622.db2.gz VPYCJAVIHGBRAT-GRZMOONWSA-N 2 0 240.351 0.389 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)NCC2([NH3+])CCCC2)C1 ZINC000892248610 582813110 /nfs/dbraw/zinc/81/31/10/582813110.db2.gz HQSWVPKINTVJDY-AOOOYVTPSA-N 2 0 240.351 0.294 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])N1CCC1 ZINC000849012086 582824782 /nfs/dbraw/zinc/82/47/82/582824782.db2.gz HULDURZHLGTOIU-NSHDSACASA-N 2 0 242.367 0.573 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892281122 582826088 /nfs/dbraw/zinc/82/60/88/582826088.db2.gz OLNYXANEIPGIES-ZRUFSTJUSA-N 2 0 240.351 0.163 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000892282149 582826837 /nfs/dbraw/zinc/82/68/37/582826837.db2.gz YBYDZPXKXBIFDQ-ZRUFSTJUSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000892293293 582829072 /nfs/dbraw/zinc/82/90/72/582829072.db2.gz SRHDJXWQNXCMAN-ZNSHCXBVSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2CO)CC[N@@H+]1C ZINC000892673849 582948779 /nfs/dbraw/zinc/94/87/79/582948779.db2.gz OZRBUSACYUMDJV-PWSUYJOCSA-N 2 0 235.331 0.890 20 0 BCADRP CC(=O)OC[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000892762526 582977481 /nfs/dbraw/zinc/97/74/81/582977481.db2.gz BCXHWMWCXODRHK-UWVGGRQHSA-N 2 0 216.325 0.868 20 0 BCADRP CC(=O)OC[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000892762528 582977625 /nfs/dbraw/zinc/97/76/25/582977625.db2.gz BCXHWMWCXODRHK-ZJUUUORDSA-N 2 0 216.325 0.868 20 0 BCADRP COCCOC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000892947182 583016088 /nfs/dbraw/zinc/01/60/88/583016088.db2.gz YPKYNHDQLQWCRW-CHWSQXEVSA-N 2 0 244.379 0.969 20 0 BCADRP CNC(=O)[C@@H]([NH2+]CC1CC[NH+](C)CC1)C(C)C ZINC000893190659 583068184 /nfs/dbraw/zinc/06/81/84/583068184.db2.gz KCUCIWOOZFDVCD-LBPRGKRZSA-N 2 0 241.379 0.688 20 0 BCADRP CNC(=O)CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000396456038 583082721 /nfs/dbraw/zinc/08/27/21/583082721.db2.gz KAMKYORGJCDYLP-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CCCCC[NH3+] ZINC000224044388 583182792 /nfs/dbraw/zinc/18/27/92/583182792.db2.gz ZNIQKAGSKARXSC-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2COCCO2)CC1(C)C ZINC000858100891 583214383 /nfs/dbraw/zinc/21/43/83/583214383.db2.gz QZMVEKFJSHHAJT-VXGBXAGGSA-N 2 0 242.363 0.864 20 0 BCADRP CCn1ncc(C[N@H+](C)C2CCC([NH3+])CC2)n1 ZINC000857084057 588886152 /nfs/dbraw/zinc/88/61/52/588886152.db2.gz MSGMGBQYVSCOLZ-UHFFFAOYSA-N 2 0 237.351 1.000 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000857103423 588887969 /nfs/dbraw/zinc/88/79/69/588887969.db2.gz IGPGWANSMUEEAY-AEJSXWLSSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000857103450 588887981 /nfs/dbraw/zinc/88/79/81/588887981.db2.gz JFLFYNPQYHLJSE-JTQLQIEISA-N 2 0 242.367 0.413 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000857107175 588888134 /nfs/dbraw/zinc/88/81/34/588888134.db2.gz NPDVEPCWKYVNOL-GXSJLCMTSA-N 2 0 240.351 0.260 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCC[C@H](C)[NH3+] ZINC000857107265 588888221 /nfs/dbraw/zinc/88/82/21/588888221.db2.gz PTSDFXAHKWOJAQ-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCC[C@H](C)[NH3+])C1 ZINC000857107286 588888338 /nfs/dbraw/zinc/88/83/38/588888338.db2.gz QQOVATAZZPCMPB-IVZWLZJFSA-N 2 0 228.340 0.102 20 0 BCADRP Cc1cc(N)nc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)[nH+]1 ZINC000893963964 583257889 /nfs/dbraw/zinc/25/78/89/583257889.db2.gz MHMFDLWJDZVPBG-CYBMUJFWSA-N 2 0 247.346 0.899 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000857107522 588888584 /nfs/dbraw/zinc/88/85/84/588888584.db2.gz XQKRMOKKNJUFQM-DCAQKATOSA-N 2 0 242.367 0.493 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCC[C@H](C)[NH3+] ZINC000857108662 588888619 /nfs/dbraw/zinc/88/86/19/588888619.db2.gz DUJXRVUDRDVQJT-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCC[C@H](C)[NH3+])C1 ZINC000857107524 588888699 /nfs/dbraw/zinc/88/86/99/588888699.db2.gz XQKRMOKKNJUFQM-HBNTYKKESA-N 2 0 242.367 0.493 20 0 BCADRP Cc1ccnc(N)c1CN1CCC2(C1)OCCO2 ZINC000893994613 583268119 /nfs/dbraw/zinc/26/81/19/583268119.db2.gz AEIPBODABIYAOI-UHFFFAOYSA-N 2 0 249.314 0.921 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)NCC[C@H](C)[NH3+])CC1 ZINC000857114022 588890036 /nfs/dbraw/zinc/89/00/36/588890036.db2.gz MISBVTGOMCJLPB-NSHDSACASA-N 2 0 242.367 0.459 20 0 BCADRP C[N@H+]1C[C@@H]2C[NH+](Cc3cc[nH]c(=O)c3)C[C@@H]2C1 ZINC000894083860 583295472 /nfs/dbraw/zinc/29/54/72/583295472.db2.gz PTSNCXRZHZJZKV-TXEJJXNPSA-N 2 0 233.315 0.781 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000877178977 583300372 /nfs/dbraw/zinc/30/03/72/583300372.db2.gz GGFAUUXAWBYRAW-NHCYSSNCSA-N 2 0 243.326 0.322 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877188123 583302383 /nfs/dbraw/zinc/30/23/83/583302383.db2.gz POJWSROMGKIHAL-JJOYANBFSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000877272993 583306675 /nfs/dbraw/zinc/30/66/75/583306675.db2.gz BOIXZTDGJNAGFE-ZRUFSTJUSA-N 2 0 223.320 0.077 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000877272989 583306891 /nfs/dbraw/zinc/30/68/91/583306891.db2.gz BOIXZTDGJNAGFE-NAKRPEOUSA-N 2 0 223.320 0.077 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@H]1COCC1(C)C ZINC000894174712 583326905 /nfs/dbraw/zinc/32/69/05/583326905.db2.gz XSCVGUWKAQZNHG-LBPRGKRZSA-N 2 0 244.379 0.969 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC000894271736 583403019 /nfs/dbraw/zinc/40/30/19/583403019.db2.gz UVQNKYNTXNPMTQ-BETUJISGSA-N 2 0 240.347 0.428 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC2CC([NH+](C)C)C2)CC[N@@H+]1C ZINC000857227763 588896234 /nfs/dbraw/zinc/89/62/34/588896234.db2.gz UBFXGXDSKDHRAY-HBIQZDMRSA-N 2 0 239.363 0.535 20 0 BCADRP CC(C)C[C@H]([NH3+])C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414843239 583413998 /nfs/dbraw/zinc/41/39/98/583413998.db2.gz CAMQUHOWPFCRMK-RYUDHWBXSA-N 3 0 213.369 0.949 20 0 BCADRP C[N@H+](CC1CC[NH+](C)CC1)CN1CCC1=O ZINC000857232144 588898068 /nfs/dbraw/zinc/89/80/68/588898068.db2.gz NNTOOVMTCDVLDE-UHFFFAOYSA-N 2 0 225.336 0.450 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000841857260 583438581 /nfs/dbraw/zinc/43/85/81/583438581.db2.gz SONJYSRJRNCDAG-SCVCMEIPSA-N 2 0 243.326 0.131 20 0 BCADRP CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CCC(=O)O1 ZINC000880140947 583473751 /nfs/dbraw/zinc/47/37/51/583473751.db2.gz FVDBMFSJSNRIKT-SDDRHHMPSA-N 2 0 238.331 0.861 20 0 BCADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2COCO2)CC1 ZINC000894876463 583540884 /nfs/dbraw/zinc/54/08/84/583540884.db2.gz SQJQRWNYLGYKGZ-LBPRGKRZSA-N 2 0 228.336 0.822 20 0 BCADRP CO[C@H]1COCC[C@H]1C[NH2+]Cc1cnc[nH]1 ZINC000894889609 583547943 /nfs/dbraw/zinc/54/79/43/583547943.db2.gz VSMSVDJSKBCVAB-ONGXEEELSA-N 2 0 225.292 0.551 20 0 BCADRP C[NH+]1CCC(C[NH+]2CC(C)(C(N)=O)C2)CC1 ZINC000895087344 583584754 /nfs/dbraw/zinc/58/47/54/583584754.db2.gz IPMJNVMCUJIHDP-UHFFFAOYSA-N 2 0 225.336 0.135 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNc1cc[nH+]cc1CO ZINC000895162552 583610801 /nfs/dbraw/zinc/61/08/01/583610801.db2.gz WXLONYLTSIXOAO-LLVKDONJSA-N 2 0 221.304 0.502 20 0 BCADRP C[C@@H](CC[NH2+][C@@H]1CCNC(=O)CC1)[NH+](C)C ZINC000895294607 583638452 /nfs/dbraw/zinc/63/84/52/583638452.db2.gz XICNRTAJMDHIAV-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP COC(=O)[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000895434264 583672599 /nfs/dbraw/zinc/67/25/99/583672599.db2.gz UTIRDBORDUIQKP-TXEJJXNPSA-N 2 0 240.347 0.869 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]C(C)(C)C)C1 ZINC000896507591 583808532 /nfs/dbraw/zinc/80/85/32/583808532.db2.gz YFPIDXSDHMJBPI-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1[C@@H]([NH2+][C@@H]2CCNC(=O)CC2)CCN1C ZINC000896555168 583811889 /nfs/dbraw/zinc/81/18/89/583811889.db2.gz NPMLHYCHJAQQBG-VWYCJHECSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870941728 583931863 /nfs/dbraw/zinc/93/18/63/583931863.db2.gz YZRCVAJRFXTUFK-DDHJBXDOSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)C1 ZINC000870972602 583932575 /nfs/dbraw/zinc/93/25/75/583932575.db2.gz MXRRYFIVKVTEMD-ZPFDUUQYSA-N 2 0 237.347 0.230 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870981532 583932941 /nfs/dbraw/zinc/93/29/41/583932941.db2.gz JGKAZQOBRMKGBL-UTUOFQBUSA-N 2 0 239.363 0.522 20 0 BCADRP C[NH+](C)CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000897423683 583964692 /nfs/dbraw/zinc/96/46/92/583964692.db2.gz RKKPYAAXZUWIKM-GFCCVEGCSA-N 2 0 239.363 0.633 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@H]2C[C@H]2C)C1 ZINC000864453313 584005517 /nfs/dbraw/zinc/00/55/17/584005517.db2.gz UNKZIPYRTDCPHD-MXWKQRLJSA-N 2 0 224.352 0.851 20 0 BCADRP CC[N@H+](CCNC(=[NH2+])N[C@H]1C[C@H]1C)C1CC1 ZINC000864458274 584006875 /nfs/dbraw/zinc/00/68/75/584006875.db2.gz YALRSQTTWCTTEL-KOLCDFICSA-N 2 0 224.352 0.993 20 0 BCADRP O=C1OCC[C@H]1N1CCC[C@H](n2ccnc2)C1 ZINC000729920215 584029801 /nfs/dbraw/zinc/02/98/01/584029801.db2.gz LDCGOSBDGAQRIZ-WDEREUQCSA-N 2 0 235.287 0.836 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC([NH+]2CCCC2)C1 ZINC000898609019 584146498 /nfs/dbraw/zinc/14/64/98/584146498.db2.gz PHOQUQYGLRZBJE-UHFFFAOYSA-N 2 0 239.363 0.635 20 0 BCADRP [NH3+]CCCCn1cc([C@H]2CCCC[NH2+]2)nn1 ZINC000899694702 584226800 /nfs/dbraw/zinc/22/68/00/584226800.db2.gz KKLDHPNUTHWCKN-SNVBAGLBSA-N 2 0 223.324 0.832 20 0 BCADRP c1c([C@@H]2CCCC[NH2+]2)nnn1[C@H]1CC[NH2+]C1 ZINC000899724806 584229680 /nfs/dbraw/zinc/22/96/80/584229680.db2.gz KHTHFLWRSUEERC-UWVGGRQHSA-N 2 0 221.308 0.627 20 0 BCADRP c1c([C@H]2CCCC[NH2+]2)nnn1[C@@H]1CC[NH2+]C1 ZINC000899724799 584229796 /nfs/dbraw/zinc/22/97/96/584229796.db2.gz KHTHFLWRSUEERC-NXEZZACHSA-N 2 0 221.308 0.627 20 0 BCADRP [NH3+]CCCc1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000899740664 584233665 /nfs/dbraw/zinc/23/36/65/584233665.db2.gz JYHNKOZLWJFRLC-NSHDSACASA-N 2 0 237.351 0.559 20 0 BCADRP C[C@@H]([NH3+])c1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000899742470 584234657 /nfs/dbraw/zinc/23/46/57/584234657.db2.gz XXJJYLBJHXLDMX-ZJUUUORDSA-N 2 0 223.324 0.688 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)Cc1c[nH]cn1 ZINC000900694471 584339193 /nfs/dbraw/zinc/33/91/93/584339193.db2.gz IRDQPEIBFJWPBR-SECBINFHSA-N 2 0 224.308 0.409 20 0 BCADRP C[NH+](C)CCCCNC(=O)C12CC[NH+](CC1)C2 ZINC000900689296 584342272 /nfs/dbraw/zinc/34/22/72/584342272.db2.gz IHHIYDNKTDZMRB-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000900831618 584354693 /nfs/dbraw/zinc/35/46/93/584354693.db2.gz KCEDLNMJVPFPHL-SRVKXCTJSA-N 2 0 241.379 0.926 20 0 BCADRP CN(CC[NH+](C)C)C(=O)C12CC[NH+](CC1)C2 ZINC000900926989 584366469 /nfs/dbraw/zinc/36/64/69/584366469.db2.gz LMHFFKWRGPSDRW-UHFFFAOYSA-N 2 0 225.336 0.102 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2COCCO2)C1 ZINC000902319801 584551475 /nfs/dbraw/zinc/55/14/75/584551475.db2.gz NCMQKQBHCFAKCD-RYUDHWBXSA-N 2 0 242.363 0.770 20 0 BCADRP CCNC(=O)[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902329160 584561577 /nfs/dbraw/zinc/56/15/77/584561577.db2.gz POTZKVDCRKHCOV-QWRGUYRKSA-N 2 0 241.379 0.879 20 0 BCADRP C[NH+](C)C[C@H](O)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902365344 584573078 /nfs/dbraw/zinc/57/30/78/584573078.db2.gz ZGRIWBZLOIEINE-NWDGAFQWSA-N 2 0 243.395 0.277 20 0 BCADRP [NH3+]C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000902407822 584574852 /nfs/dbraw/zinc/57/48/52/584574852.db2.gz VMSQUTPSMOZBRS-IJLUTSLNSA-N 2 0 223.364 0.988 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H](NCC2([NH3+])CC2)C1 ZINC000902411393 584576126 /nfs/dbraw/zinc/57/61/26/584576126.db2.gz ZBAQXAONZMTTQW-SNVBAGLBSA-N 2 0 211.353 0.846 20 0 BCADRP COC[C@H](O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902383200 584576816 /nfs/dbraw/zinc/57/68/16/584576816.db2.gz CZCZNKOSSVGNSW-WDEREUQCSA-N 2 0 230.352 0.362 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391417 584581703 /nfs/dbraw/zinc/58/17/03/584581703.db2.gz WZKKQYBAHYBXTF-SDDRHHMPSA-N 2 0 242.363 0.768 20 0 BCADRP CC[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C(=O)NC ZINC000902391541 584581944 /nfs/dbraw/zinc/58/19/44/584581944.db2.gz YJSBUXQXLUOYLS-GHMZBOCLSA-N 2 0 241.379 0.879 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H](NC[C@H]2C[NH2+]CCO2)C1 ZINC000902394299 584584178 /nfs/dbraw/zinc/58/41/78/584584178.db2.gz UPPZYNJZCZDJJC-VXGBXAGGSA-N 2 0 241.379 0.343 20 0 BCADRP CC[N@@H+]1CC[C@@H](NCC2([NH3+])CC2)[C@H](C)C1 ZINC000902416940 584590999 /nfs/dbraw/zinc/59/09/99/584590999.db2.gz PWVDGRHAPISZHQ-GHMZBOCLSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902442032 584597946 /nfs/dbraw/zinc/59/79/46/584597946.db2.gz HFEKEIZZWZHGCN-DCAQKATOSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@H](C[C@H]1COCC[NH2+]1)N[C@H]1C[NH2+]CC1(C)C ZINC000902444835 584599190 /nfs/dbraw/zinc/59/91/90/584599190.db2.gz OTRYQAIEPKNACI-WOPDTQHZSA-N 2 0 241.379 0.341 20 0 BCADRP C[C@H](N[C@H]1C[NH2+]CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000902447523 584605040 /nfs/dbraw/zinc/60/50/40/584605040.db2.gz YWOCETAANTVBSA-DCAQKATOSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)[NH2+]2 ZINC000902460031 584611111 /nfs/dbraw/zinc/61/11/11/584611111.db2.gz FNIHHBOLWDCDBK-WLKQUUANSA-N 2 0 235.375 0.998 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902460597 584611624 /nfs/dbraw/zinc/61/16/24/584611624.db2.gz HLCMVSWISFISSM-KSSYENDESA-N 2 0 223.364 0.986 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461222 584611767 /nfs/dbraw/zinc/61/17/67/584611767.db2.gz MQXPLNJSYQAOPR-LTHFHKMSSA-N 2 0 235.375 0.985 20 0 BCADRP CC[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000902466552 584613769 /nfs/dbraw/zinc/61/37/69/584613769.db2.gz LVIUPHCZGAVHED-QNWJLWSRSA-N 2 0 223.364 1.000 20 0 BCADRP C1C[C@@H]2[NH2+][C@H]1C[C@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000902469278 584615700 /nfs/dbraw/zinc/61/57/00/584615700.db2.gz VNLUXSMFYWQZSE-UCKQBZRPSA-N 3 0 235.375 0.857 20 0 BCADRP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CCOC1 ZINC000902471738 584617346 /nfs/dbraw/zinc/61/73/46/584617346.db2.gz RRHXZXKZHCPTAF-RNWYCLNJSA-N 2 0 210.321 0.894 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000902513365 584623481 /nfs/dbraw/zinc/62/34/81/584623481.db2.gz FRLYKHASCNYFMV-GARJFASQSA-N 2 0 216.325 0.243 20 0 BCADRP C[C@H](NC[C@@H]1CCCCC[NH2+]1)C1C[NH2+]C1 ZINC000902482113 584624228 /nfs/dbraw/zinc/62/42/28/584624228.db2.gz JHLGMGFMCOCWJS-JQWIXIFHSA-N 2 0 211.353 0.716 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000902485163 584624583 /nfs/dbraw/zinc/62/45/83/584624583.db2.gz IJVBHVIMPXFNBH-UMSPYCQHSA-N 2 0 240.347 0.999 20 0 BCADRP CC[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000902485873 584625492 /nfs/dbraw/zinc/62/54/92/584625492.db2.gz AMPHXGWPSAFFIW-BJDJZHNGSA-N 3 0 211.353 0.844 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000902515178 584629616 /nfs/dbraw/zinc/62/96/16/584629616.db2.gz SYTZTTPEDPDUTP-ZDEQEGDKSA-N 2 0 242.363 0.504 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000902517447 584630031 /nfs/dbraw/zinc/63/00/31/584630031.db2.gz HROOMRWOVUWVPK-WISYIIOYSA-N 2 0 210.321 0.881 20 0 BCADRP CC(C)C[C@@H](C[NH+](C)C)N[C@@H]1C[NH2+]CCOC1 ZINC000902515927 584630383 /nfs/dbraw/zinc/63/03/83/584630383.db2.gz ZEVXOJNIUGIWQR-QWHCGFSZSA-N 2 0 243.395 0.541 20 0 BCADRP C[C@H](C[NH2+][C@H]1CCO[C@]12CCOC2)C[NH+](C)C ZINC000903174916 584732718 /nfs/dbraw/zinc/73/27/18/584732718.db2.gz PCQOAVXWYSIPCX-AGIUHOORSA-N 2 0 242.363 0.722 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@H]1CCC[NH2+]1 ZINC000903422349 584764731 /nfs/dbraw/zinc/76/47/31/584764731.db2.gz ZJKIPCYQJLRAIN-TUAOUCFPSA-N 2 0 211.353 0.940 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903424968 584764937 /nfs/dbraw/zinc/76/49/37/584764937.db2.gz NPJJDXGJQDOLIZ-LPWJVIDDSA-N 2 0 225.380 0.901 20 0 BCADRP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000903424896 584765447 /nfs/dbraw/zinc/76/54/47/584765447.db2.gz KSXPDBGFSXBKMN-WHOHXGKFSA-N 3 0 211.353 0.783 20 0 BCADRP C[C@H]1CCCN(C[C@H]2CCC[NH2+]2)[C@@H]1C[NH3+] ZINC000903424853 584765470 /nfs/dbraw/zinc/76/54/70/584765470.db2.gz JDCXKOBCKMTZKX-QJPTWQEYSA-N 2 0 211.353 0.798 20 0 BCADRP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCCO1 ZINC000903458975 584766150 /nfs/dbraw/zinc/76/61/50/584766150.db2.gz OTXISZDREIDENE-GRYCIOLGSA-N 3 0 227.352 0.163 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000903458890 584766218 /nfs/dbraw/zinc/76/62/18/584766218.db2.gz MKPDSNSECCTTJS-LPWJVIDDSA-N 2 0 225.380 0.759 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[N@H+](C)CC1(C)C ZINC000903464395 584767709 /nfs/dbraw/zinc/76/77/09/584767709.db2.gz LRVNQRFZYRGMNE-NEPJUHHUSA-N 2 0 225.380 0.868 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(CC(F)F)CC2)C1 ZINC000903442619 584768159 /nfs/dbraw/zinc/76/81/59/584768159.db2.gz UTIHGHOLICNGGL-WDEREUQCSA-N 2 0 247.333 0.997 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C[C@H]3CCC[NH2+]3)C[C@H]21 ZINC000903447147 584770435 /nfs/dbraw/zinc/77/04/35/584770435.db2.gz GXPCBNRHXPFXEI-FDYHWXHSSA-N 2 0 223.364 0.798 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903447194 584770715 /nfs/dbraw/zinc/77/07/15/584770715.db2.gz IUEUWYUUONLGPE-AGIUHOORSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000903447324 584770862 /nfs/dbraw/zinc/77/08/62/584770862.db2.gz OKUHIPSJKSECEI-HTOAHKCRSA-N 3 0 237.391 0.901 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000903449981 584771841 /nfs/dbraw/zinc/77/18/41/584771841.db2.gz ZBRPCPIYEZFNBY-XQQFMLRXSA-N 3 0 223.364 0.799 20 0 BCADRP CC(C)[C@H]1CN(C[C@@H]2C[NH2+]C[C@H]2C)CC[NH2+]1 ZINC000903450207 584772206 /nfs/dbraw/zinc/77/22/06/584772206.db2.gz PRKVHDLYZIVKCB-FRRDWIJNSA-N 2 0 225.380 0.772 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC[C@H]1CCC[NH2+]1 ZINC000903454970 584773294 /nfs/dbraw/zinc/77/32/94/584773294.db2.gz PFDWXNROXKOWAA-KXNHARMFSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000903454579 584773452 /nfs/dbraw/zinc/77/34/52/584773452.db2.gz CRVKRANRVGFGSQ-NAWOPXAZSA-N 2 0 225.380 0.818 20 0 BCADRP COC[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000903456689 584773809 /nfs/dbraw/zinc/77/38/09/584773809.db2.gz IXWFPKSULUJNRC-NDBYEHHHSA-N 2 0 242.363 0.850 20 0 BCADRP COC(=O)C1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903455304 584774154 /nfs/dbraw/zinc/77/41/54/584774154.db2.gz SONKJRNQLGEFMY-PWSUYJOCSA-N 2 0 240.347 0.727 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000903457086 584774175 /nfs/dbraw/zinc/77/41/75/584774175.db2.gz MYACMCYNTCBMBA-WOPDTQHZSA-N 2 0 235.335 0.380 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000903471468 584775164 /nfs/dbraw/zinc/77/51/64/584775164.db2.gz JOXPCUMWVNFELI-DCAQKATOSA-N 2 0 227.327 0.561 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[NH2+]C12CCC2 ZINC000903470815 584775257 /nfs/dbraw/zinc/77/52/57/584775257.db2.gz DHCQAKAFKBADCD-WOPDTQHZSA-N 2 0 223.364 0.716 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C[C@H]1CCC[NH2+]1)C2 ZINC000903479935 584778034 /nfs/dbraw/zinc/77/80/34/584778034.db2.gz ZWUFXVSBMIJJAK-QJPTWQEYSA-N 2 0 209.337 0.280 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCn3nncc3C2)C1 ZINC000903482205 584778566 /nfs/dbraw/zinc/77/85/66/584778566.db2.gz ZGTDLDGCPFATNO-WDEREUQCSA-N 2 0 235.335 0.611 20 0 BCADRP CON1CC[C@H]([N@H+](C)CCCCCC[NH3+])C1=O ZINC000903482692 584778656 /nfs/dbraw/zinc/77/86/56/584778656.db2.gz PEXASRWXNKYBHG-NSHDSACASA-N 2 0 243.351 0.600 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000903482583 584778728 /nfs/dbraw/zinc/77/87/28/584778728.db2.gz LVCUGZKCTDSUPZ-LMLFDSFASA-N 2 0 211.353 0.557 20 0 BCADRP C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CC[NH2+]C1 ZINC000903465161 584779264 /nfs/dbraw/zinc/77/92/64/584779264.db2.gz DYTMKCQTULNAST-WDEREUQCSA-N 2 0 209.337 0.470 20 0 BCADRP [NH3+]CCCN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903513825 584781374 /nfs/dbraw/zinc/78/13/74/584781374.db2.gz HUIBRSJDXXSSNM-RNFRBKRXSA-N 2 0 211.231 0.157 20 0 BCADRP COC(=O)CC1(CN2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000903558040 584782859 /nfs/dbraw/zinc/78/28/59/584782859.db2.gz SQOBTPUDOOFGPX-SNVBAGLBSA-N 2 0 240.347 0.999 20 0 BCADRP C[C@@H]1CN(CCN2C[C@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903556780 584782942 /nfs/dbraw/zinc/78/29/42/584782942.db2.gz DTUOINSTZZAWGF-NEPJUHHUSA-N 2 0 241.379 0.376 20 0 BCADRP CC1(C)CN(C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1[NH3+] ZINC000903557321 584783002 /nfs/dbraw/zinc/78/30/02/584783002.db2.gz NORLXDQPGZVJNM-WDEREUQCSA-N 3 0 239.363 0.177 20 0 BCADRP C[C@@H]1CN(CCN2C[C@@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903556783 584783161 /nfs/dbraw/zinc/78/31/61/584783161.db2.gz DTUOINSTZZAWGF-VXGBXAGGSA-N 2 0 241.379 0.376 20 0 BCADRP [NH3+]C[C@H]1CCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903716412 584791817 /nfs/dbraw/zinc/79/18/17/584791817.db2.gz MOGABGYLDVHWRL-NEPJUHHUSA-N 2 0 211.353 0.657 20 0 BCADRP [NH3+]C[C@@H]1CCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903716414 584791846 /nfs/dbraw/zinc/79/18/46/584791846.db2.gz MOGABGYLDVHWRL-RYUDHWBXSA-N 2 0 211.353 0.657 20 0 BCADRP C[N@H+](CCC[NH3+])C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718086 584792090 /nfs/dbraw/zinc/79/20/90/584792090.db2.gz ZJSMRKMVKGXEHU-RYUDHWBXSA-N 3 0 227.352 0.036 20 0 BCADRP C[C@@](C[NH3+])(NC[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000903717335 584792160 /nfs/dbraw/zinc/79/21/60/584792160.db2.gz NSKYVOYPVSCGID-OLZOCXBDSA-N 2 0 241.379 0.160 20 0 BCADRP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H]1CCOC1 ZINC000903729721 584792948 /nfs/dbraw/zinc/79/29/48/584792948.db2.gz RHFQPHXWUQSNFW-FRRDWIJNSA-N 2 0 240.347 0.476 20 0 BCADRP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CCC[NH2+]CC1 ZINC000903713209 584793390 /nfs/dbraw/zinc/79/33/90/584793390.db2.gz IMXNPPGGQFQLOX-CHWSQXEVSA-N 2 0 239.363 0.050 20 0 BCADRP [NH3+]C1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903713433 584793414 /nfs/dbraw/zinc/79/34/14/584793414.db2.gz QFOROARBSZLXRV-QWHCGFSZSA-N 3 0 239.363 0.178 20 0 BCADRP O[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@H]1F ZINC000903712927 584793428 /nfs/dbraw/zinc/79/34/28/584793428.db2.gz VPNAACSISLSICX-GHMZBOCLSA-N 2 0 216.300 0.391 20 0 BCADRP [NH3+]C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903713366 584793811 /nfs/dbraw/zinc/79/38/11/584793811.db2.gz OLXZYTWRQGGKCO-LLVKDONJSA-N 2 0 211.353 0.799 20 0 BCADRP C[C@@H](C[NH3+])N(C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903716216 584794410 /nfs/dbraw/zinc/79/44/10/584794410.db2.gz JRQSMPZFCKMACS-NWDGAFQWSA-N 2 0 241.379 0.424 20 0 BCADRP C([C@H]1CCCC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000903751025 584795271 /nfs/dbraw/zinc/79/52/71/584795271.db2.gz BMDAJUGQQACZQK-XQQFMLRXSA-N 2 0 223.364 0.670 20 0 BCADRP [NH3+]C1(C[NH2+]C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCC1 ZINC000903743347 584796633 /nfs/dbraw/zinc/79/66/33/584796633.db2.gz IXKCMRCTZKPMCE-NEPJUHHUSA-N 3 0 239.363 0.226 20 0 BCADRP CN(CC[NH3+])C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903760025 584796889 /nfs/dbraw/zinc/79/68/89/584796889.db2.gz FETSMIVDCFFLHC-NSHDSACASA-N 2 0 227.352 0.036 20 0 BCADRP C[N@H+](C[C@H]1COCCO1)C[C@@H]1CCCC[NH2+]C1 ZINC000903765454 584797402 /nfs/dbraw/zinc/79/74/02/584797402.db2.gz HKAFTLYXVMGMLX-OLZOCXBDSA-N 2 0 242.363 0.723 20 0 BCADRP O[C@@H]1CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903763005 584797467 /nfs/dbraw/zinc/79/74/67/584797467.db2.gz GORKFAZZJOEQJS-UPJWGTAASA-N 2 0 240.347 0.212 20 0 BCADRP [NH3+]CC12CC(C1)CN2C[C@H]1CCCC[NH2+]C1 ZINC000903765903 584797536 /nfs/dbraw/zinc/79/75/36/584797536.db2.gz MIIBOCJPBMYFSE-HIFPTAJRSA-N 2 0 223.364 0.799 20 0 BCADRP CCN(CC[NH3+])C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903769262 584797761 /nfs/dbraw/zinc/79/77/61/584797761.db2.gz AXVFNWAJABEXOS-LBPRGKRZSA-N 2 0 241.379 0.426 20 0 BCADRP CCN(CC[NH3+])C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903769365 584798330 /nfs/dbraw/zinc/79/83/30/584798330.db2.gz DWTMHHQVPLYVDS-NEPJUHHUSA-N 2 0 227.352 0.036 20 0 BCADRP CCN(CC[NH3+])C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903769261 584798380 /nfs/dbraw/zinc/79/83/80/584798380.db2.gz AXVFNWAJABEXOS-GFCCVEGCSA-N 2 0 241.379 0.426 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000903782331 584800474 /nfs/dbraw/zinc/80/04/74/584800474.db2.gz KWYOQXTULVXLES-TUAOUCFPSA-N 2 0 241.379 0.159 20 0 BCADRP [NH3+]CCOCCN1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903799994 584801678 /nfs/dbraw/zinc/80/16/78/584801678.db2.gz FUBCXGPVODSZNC-RYUDHWBXSA-N 2 0 227.352 0.165 20 0 BCADRP [NH3+]C[C@]12CC[C@@H]1CCCN2C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000903802347 584802379 /nfs/dbraw/zinc/80/23/79/584802379.db2.gz RYTXBOKXUIQLKT-ZDEQEGDKSA-N 2 0 241.354 0.890 20 0 BCADRP [NH3+]C[C@]12CC[C@H]1CCCN2C[C@H]1CCC[NH2+]1 ZINC000903806656 584802762 /nfs/dbraw/zinc/80/27/62/584802762.db2.gz ZOGPNMCRBDTHPH-JHJVBQTASA-N 2 0 223.364 0.942 20 0 BCADRP [NH3+]CCCN[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000903819866 584803513 /nfs/dbraw/zinc/80/35/13/584803513.db2.gz PAANNYZRHIOYNG-VXGBXAGGSA-N 2 0 205.305 0.550 20 0 BCADRP OCC[C@H]1COCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903830192 584805423 /nfs/dbraw/zinc/80/54/23/584805423.db2.gz VWRAMKHXQJUUNR-RYUDHWBXSA-N 2 0 228.336 0.069 20 0 BCADRP C[C@H]1CSCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000903829390 584805537 /nfs/dbraw/zinc/80/55/37/584805537.db2.gz FQEDSPQLXKTIPM-LBPRGKRZSA-N 2 0 243.420 0.719 20 0 BCADRP O=C1CC[N@H+](C[C@@H]2CC[NH2+]C2)CCCCCN1 ZINC000903830349 584805605 /nfs/dbraw/zinc/80/56/05/584805605.db2.gz ZQIRDUYWPMYLIE-GFCCVEGCSA-N 2 0 239.363 0.588 20 0 BCADRP OCC[C@@H]1COCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903830193 584805671 /nfs/dbraw/zinc/80/56/71/584805671.db2.gz VWRAMKHXQJUUNR-VXGBXAGGSA-N 2 0 228.336 0.069 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCc1cn[nH]c1)C2 ZINC000903838235 584806680 /nfs/dbraw/zinc/80/66/80/584806680.db2.gz ABWBMJOBXXTNQP-TUAOUCFPSA-N 2 0 220.320 0.764 20 0 BCADRP O[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1F ZINC000903841050 584807162 /nfs/dbraw/zinc/80/71/62/584807162.db2.gz WIAJZQSAIGREJS-GRYCIOLGSA-N 2 0 230.327 0.781 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000903839454 584807199 /nfs/dbraw/zinc/80/71/99/584807199.db2.gz LCZYFXGNAJOBBQ-YYHQMBLXSA-N 3 0 223.364 0.925 20 0 BCADRP O[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1F ZINC000903841052 584807325 /nfs/dbraw/zinc/80/73/25/584807325.db2.gz WIAJZQSAIGREJS-QJPTWQEYSA-N 2 0 230.327 0.781 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000903843333 584807632 /nfs/dbraw/zinc/80/76/32/584807632.db2.gz IVKVHMLOWMOWIS-KXNHARMFSA-N 3 0 209.337 0.408 20 0 BCADRP NC[C@@]12CC[C@H]1CC[N@@H+]2CC1CC[NH2+]CC1 ZINC000903850146 584808309 /nfs/dbraw/zinc/80/83/09/584808309.db2.gz KWAJNJBSVOBTFJ-STQMWFEESA-N 2 0 223.364 0.799 20 0 BCADRP NC[C@]12CC[C@@H]1CC[N@@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000903858874 584810892 /nfs/dbraw/zinc/81/08/92/584810892.db2.gz JROHLZUXWDTKCK-YNEHKIRRSA-N 2 0 223.364 0.799 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903863536 584812794 /nfs/dbraw/zinc/81/27/94/584812794.db2.gz NGAAGTSEJWOWSW-CYBMUJFWSA-N 3 0 223.364 0.814 20 0 BCADRP [NH3+]C[C@]12CC[C@H]1CCN2CCC[NH2+]C1CC1 ZINC000903862952 584813031 /nfs/dbraw/zinc/81/30/31/584813031.db2.gz HHDYAJLENWYZHY-WCQYABFASA-N 2 0 223.364 0.942 20 0 BCADRP CSC[C@H](O)CN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903864093 584813334 /nfs/dbraw/zinc/81/33/34/584813334.db2.gz RCVKNLTZWKNDHU-GMTAPVOTSA-N 2 0 230.377 0.524 20 0 BCADRP OC[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889064 584813725 /nfs/dbraw/zinc/81/37/25/584813725.db2.gz NUTOEOKICLIISA-WODVXLOZSA-N 2 0 224.348 0.831 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN1CCC[C@@H]([NH3+])C1 ZINC000903873106 584815262 /nfs/dbraw/zinc/81/52/62/584815262.db2.gz FQMWAMXXVUQJLJ-SFYZADRCSA-N 2 0 207.268 0.392 20 0 BCADRP C[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)CC[C@H]1[NH3+] ZINC000903873070 584815384 /nfs/dbraw/zinc/81/53/84/584815384.db2.gz FGVYDKQQJFNHMS-HRDYMLBCSA-N 2 0 221.295 0.638 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000903873017 584815414 /nfs/dbraw/zinc/81/54/14/584815414.db2.gz DCUGQNDNEIOTSM-WPRPVWTQSA-N 2 0 233.306 0.795 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C[C@H]([NH3+])CC(F)F ZINC000903873680 584815808 /nfs/dbraw/zinc/81/58/08/584815808.db2.gz KEZGGJQHBAVCOQ-BDAKNGLRSA-N 2 0 221.295 0.653 20 0 BCADRP C[C@H]1CN(C[C@H]([NH3+])CC(F)F)CC[NH2+]1 ZINC000903873703 584815982 /nfs/dbraw/zinc/81/59/82/584815982.db2.gz KXBRTXUGAGXYJQ-JGVFFNPUSA-N 2 0 207.268 0.263 20 0 BCADRP CN(C[C@@H]([NH3+])CC(F)F)CC(C)(C)C[NH3+] ZINC000903873728 584816200 /nfs/dbraw/zinc/81/62/00/584816200.db2.gz LROGREGSSMTLHB-QMMMGPOBSA-N 2 0 223.311 0.886 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C[C@H]([NH3+])CC(F)F ZINC000903874172 584816214 /nfs/dbraw/zinc/81/62/14/584816214.db2.gz UNBFBCOYUYJEGQ-DJLDLDEBSA-N 2 0 221.295 0.651 20 0 BCADRP [NH3+]C[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873511 584816233 /nfs/dbraw/zinc/81/62/33/584816233.db2.gz IZEIIAIFIDDISW-ODWCKFRGSA-N 3 0 223.364 0.798 20 0 BCADRP CC[C@H]1C(=O)NCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903882576 584818341 /nfs/dbraw/zinc/81/83/41/584818341.db2.gz OFNCKWUQBYERRL-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CNC(=O)[C@@H](C)CN(C)C[C@H]([NH3+])CC(F)F ZINC000903898150 584819529 /nfs/dbraw/zinc/81/95/29/584819529.db2.gz JUMFFIXZGRROPV-JGVFFNPUSA-N 2 0 237.294 0.283 20 0 BCADRP COCC(C)(C)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903899779 584820652 /nfs/dbraw/zinc/82/06/52/584820652.db2.gz UXBHPWLXVZKPHI-ZETCQYMHSA-N 2 0 210.268 0.984 20 0 BCADRP C[C@@H](O)C(C)(C)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903902525 584820987 /nfs/dbraw/zinc/82/09/87/584820987.db2.gz IPNRQNPAFGEOAW-RNFRBKRXSA-N 2 0 210.268 0.718 20 0 BCADRP C[C@H](O)C(C)(C)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903902523 584821059 /nfs/dbraw/zinc/82/10/59/584821059.db2.gz IPNRQNPAFGEOAW-BQBZGAKWSA-N 2 0 210.268 0.718 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@H]([NH3+])CC(F)F ZINC000903906364 584821146 /nfs/dbraw/zinc/82/11/46/584821146.db2.gz VUDSKPBELPMXEN-HRDYMLBCSA-N 2 0 221.295 0.651 20 0 BCADRP CC(C)(C)[C@H](CO)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903908580 584821510 /nfs/dbraw/zinc/82/15/10/584821510.db2.gz LKUSYMBYHUJDKE-SFYZADRCSA-N 2 0 224.295 0.966 20 0 BCADRP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC([NH3+])C1 ZINC000903918406 584822276 /nfs/dbraw/zinc/82/22/76/584822276.db2.gz YSWYQDCIMHZGMV-ACDMLXGOSA-N 3 0 223.364 0.939 20 0 BCADRP [NH3+][C@H](CN[C@H]1C[NH2+]CCC1(F)F)CC(F)F ZINC000903918631 584822577 /nfs/dbraw/zinc/82/25/77/584822577.db2.gz DAPKAFVMVNNXIR-BQBZGAKWSA-N 2 0 243.248 0.556 20 0 BCADRP [NH3+][C@H](CN[C@@H]1C[NH2+]CCC1(F)F)CC(F)F ZINC000903918632 584822772 /nfs/dbraw/zinc/82/27/72/584822772.db2.gz DAPKAFVMVNNXIR-NKWVEPMBSA-N 2 0 243.248 0.556 20 0 BCADRP C[C@@]1(CNC[C@H]([NH3+])CC(F)F)CCC[NH2+]C1 ZINC000903921006 584823027 /nfs/dbraw/zinc/82/30/27/584823027.db2.gz ZLKKEOHGCZSGBK-MWLCHTKSSA-N 2 0 235.322 0.948 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC[C@H]([NH3+])CC(F)F ZINC000903919268 584823116 /nfs/dbraw/zinc/82/31/16/584823116.db2.gz LNORFJQCIDIWEF-HTQZYQBOSA-N 2 0 221.295 0.699 20 0 BCADRP [NH3+]C1(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000903919602 584823364 /nfs/dbraw/zinc/82/33/64/584823364.db2.gz ORDKCJPRHOOILP-YOGCLGLASA-N 3 0 223.364 0.988 20 0 BCADRP COC(=O)C(C)(C)C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903928393 584824119 /nfs/dbraw/zinc/82/41/19/584824119.db2.gz YKEZYCNPDZACJM-ZETCQYMHSA-N 2 0 238.278 0.758 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN1CCC[C@H]1CCO ZINC000903929639 584824146 /nfs/dbraw/zinc/82/41/46/584824146.db2.gz IIOXIJOQCILLRP-IUCAKERBSA-N 2 0 222.279 0.816 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN1CCC[C@@H]1CCO ZINC000903929638 584824587 /nfs/dbraw/zinc/82/45/87/584824587.db2.gz IIOXIJOQCILLRP-DTWKUNHWSA-N 2 0 222.279 0.816 20 0 BCADRP N[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1F ZINC000903932761 584824921 /nfs/dbraw/zinc/82/49/21/584824921.db2.gz GHESSUXWTSQLEM-ZLOUSURVSA-N 2 0 241.354 0.888 20 0 BCADRP C([NH2+]C[C@H]1COCCN1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903934676 584825965 /nfs/dbraw/zinc/82/59/65/584825965.db2.gz IGXVPBGOBMJNLW-WVMKXHBISA-N 2 0 239.363 0.095 20 0 BCADRP C[N@H+](CCOCC[NH3+])CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903936072 584825973 /nfs/dbraw/zinc/82/59/73/584825973.db2.gz XUJXYECVLPOWIS-YHWZYXNKSA-N 3 0 241.379 0.424 20 0 BCADRP CC(C)([NH3+])C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918072 584827011 /nfs/dbraw/zinc/82/70/11/584827011.db2.gz RJDGIRPOEYUFNT-FGWVZKOKSA-N 3 0 211.353 0.844 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000903915847 584827051 /nfs/dbraw/zinc/82/70/51/584827051.db2.gz CKJWMLKDBXGEBS-IVZWLZJFSA-N 2 0 233.306 0.653 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000903915848 584827090 /nfs/dbraw/zinc/82/70/90/584827090.db2.gz CKJWMLKDBXGEBS-LPEHRKFASA-N 2 0 233.306 0.653 20 0 BCADRP COC[C@H]([NH2+]C1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000903960167 584827911 /nfs/dbraw/zinc/82/79/11/584827911.db2.gz YDESOCUDDZHSJX-AAEUAGOBSA-N 2 0 242.363 0.770 20 0 BCADRP CCC1([NH3+])CCN([C@H]2CCC[NH2+]C2)CC1 ZINC000903946690 584829801 /nfs/dbraw/zinc/82/98/01/584829801.db2.gz ZZOPTQLXTMUUGN-NSHDSACASA-N 2 0 211.353 0.942 20 0 BCADRP C[C@H]1C[C@@H](C[N@@H+]2CCCn3nncc3C2)CC[NH2+]1 ZINC000903951353 584830541 /nfs/dbraw/zinc/83/05/41/584830541.db2.gz WPGQUQMRBSIZJC-RYUDHWBXSA-N 2 0 249.362 0.872 20 0 BCADRP C[C@H]1C[C@H](C[NH2+][C@]23C[C@H]2COC3)CC[NH2+]1 ZINC000903951371 584830698 /nfs/dbraw/zinc/83/06/98/584830698.db2.gz XOXFSFZINIXQLE-USZNOCQGSA-N 2 0 210.321 0.753 20 0 BCADRP C[C@]1(CNCc2cc(N)cc[nH+]2)CC[NH2+]C1 ZINC000903953857 584831669 /nfs/dbraw/zinc/83/16/69/584831669.db2.gz LYRNPPXKPMTHTC-LBPRGKRZSA-N 2 0 220.320 0.753 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000903979001 584833230 /nfs/dbraw/zinc/83/32/30/584833230.db2.gz RQHBKVDKBJGBQU-JHJVBQTASA-N 3 0 225.380 0.821 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000903979250 584833543 /nfs/dbraw/zinc/83/35/43/584833543.db2.gz ZLWSVYYXVYSOTC-FDYHWXHSSA-N 3 0 223.364 0.431 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000903963703 584833627 /nfs/dbraw/zinc/83/36/27/584833627.db2.gz GLFBJNFFACWDBB-NOOOWODRSA-N 3 0 211.353 0.572 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000903964747 584834057 /nfs/dbraw/zinc/83/40/57/584834057.db2.gz POLDFPNEWQJIQX-KSSYENDESA-N 3 0 223.364 0.572 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000903964749 584834553 /nfs/dbraw/zinc/83/45/53/584834553.db2.gz POLDFPNEWQJIQX-SYLRKERUSA-N 3 0 223.364 0.572 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000903967969 584834996 /nfs/dbraw/zinc/83/49/96/584834996.db2.gz OBCDLNKJQUSMAS-NDBYEHHHSA-N 3 0 225.380 0.820 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000903967971 584835201 /nfs/dbraw/zinc/83/52/01/584835201.db2.gz OBCDLNKJQUSMAS-VOAKCMCISA-N 3 0 225.380 0.820 20 0 BCADRP [NH3+]CCCN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969399 584835214 /nfs/dbraw/zinc/83/52/14/584835214.db2.gz FHVXHVKEUUAMAR-NSHDSACASA-N 2 0 227.352 0.084 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000903967685 584835222 /nfs/dbraw/zinc/83/52/22/584835222.db2.gz KQDDOERAGPWLRU-WHOHXGKFSA-N 2 0 211.353 0.430 20 0 BCADRP CC1(C)CN(C[C@@]23C[C@@H]2C[NH2+]C3)C[C@@H]1[NH3+] ZINC000903985751 584835418 /nfs/dbraw/zinc/83/54/18/584835418.db2.gz ARJQUIYGLVXJGX-SCVCMEIPSA-N 2 0 209.337 0.265 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903986287 584835432 /nfs/dbraw/zinc/83/54/32/584835432.db2.gz IPRBCMWNVZJGDB-WDEREUQCSA-N 2 0 213.369 0.886 20 0 BCADRP CC[N@H+](CCC(N)=O)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000903988173 584836053 /nfs/dbraw/zinc/83/60/53/584836053.db2.gz OPBQAPHAMOOMGU-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+][C@@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904298540 584860090 /nfs/dbraw/zinc/86/00/90/584860090.db2.gz WJWJNICXGJVUFE-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1CN ZINC000904299773 584860555 /nfs/dbraw/zinc/86/05/55/584860555.db2.gz OBYASOOLPAVSCK-WISYIIOYSA-N 2 0 211.353 0.783 20 0 BCADRP C[C@@H](N)[C@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904299667 584860587 /nfs/dbraw/zinc/86/05/87/584860587.db2.gz LJRRUPYBYRQIKY-WISYIIOYSA-N 2 0 211.353 0.925 20 0 BCADRP C[C@@]1(CN2CCC([NH3+])CC2)CCC[NH2+]C1 ZINC000904300056 584860619 /nfs/dbraw/zinc/86/06/19/584860619.db2.gz UXJJIMJAJIFLKK-GFCCVEGCSA-N 2 0 211.353 0.799 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904299672 584860841 /nfs/dbraw/zinc/86/08/41/584860841.db2.gz LKDRJMCYYJFHKI-QWHCGFSZSA-N 2 0 225.380 0.917 20 0 BCADRP C[C@]1(CN2CCC[NH2+]CC2)CCC[NH2+]C1 ZINC000904299411 584860857 /nfs/dbraw/zinc/86/08/57/584860857.db2.gz COACVYCQTWKDJE-LBPRGKRZSA-N 2 0 211.353 0.671 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH3+])C1 ZINC000904302871 584861792 /nfs/dbraw/zinc/86/17/92/584861792.db2.gz ZWPFWGAYIRZVST-NAWOPXAZSA-N 3 0 223.364 0.783 20 0 BCADRP CN(CC(=O)NC1CC1)C[C@]1(C)CCC[NH2+]C1 ZINC000904304140 584861829 /nfs/dbraw/zinc/86/18/29/584861829.db2.gz SGXSDSQZCOVULB-CYBMUJFWSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[N@@H+](CC(=O)OC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904301958 584862046 /nfs/dbraw/zinc/86/20/46/584862046.db2.gz QCBYSBGEHFNEEH-AOOOYVTPSA-N 2 0 214.309 0.609 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CN(Cc2ccc(C[NH3+])cc2)CCO1 ZINC000904302381 584862368 /nfs/dbraw/zinc/86/23/68/584862368.db2.gz VENAMICYLXNKHT-BXUZGUMPSA-N 3 0 249.358 0.693 20 0 BCADRP COC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904307857 584862821 /nfs/dbraw/zinc/86/28/21/584862821.db2.gz XJVCSUOIMRQLAM-AEJSXWLSSA-N 2 0 212.293 0.361 20 0 BCADRP CC(C)[C@@H]1C(=O)NCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904316447 584863149 /nfs/dbraw/zinc/86/31/49/584863149.db2.gz PMSNUZVRVPJZPP-OUAUKWLOSA-N 2 0 225.336 0.180 20 0 BCADRP CCC[N@@H+](CC(=O)OCC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312606 584863198 /nfs/dbraw/zinc/86/31/98/584863198.db2.gz LAGFYHLWDGHVNJ-PHIMTYICSA-N 2 0 228.336 0.999 20 0 BCADRP CCC[N@@H+](CC(=O)N(C)C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313573 584863265 /nfs/dbraw/zinc/86/32/65/584863265.db2.gz WOIPXGGINWRZFY-PHIMTYICSA-N 2 0 227.352 0.524 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)C1 ZINC000904336905 584863375 /nfs/dbraw/zinc/86/33/75/584863375.db2.gz XXRCUDODJAVWSJ-OUAUKWLOSA-N 2 0 223.320 0.030 20 0 BCADRP CCC(=O)N1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904313697 584863493 /nfs/dbraw/zinc/86/34/93/584863493.db2.gz XVRJMIDORKDZIG-TXEJJXNPSA-N 2 0 239.363 0.668 20 0 BCADRP COC(=O)CC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904313660 584863498 /nfs/dbraw/zinc/86/34/98/584863498.db2.gz XQFPRKUXCKJKCM-TXEJJXNPSA-N 2 0 240.347 0.999 20 0 BCADRP NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313783 584863499 /nfs/dbraw/zinc/86/34/99/584863499.db2.gz JZHWVSUBGMGTIP-AXFHLTTASA-N 2 0 225.336 0.454 20 0 BCADRP COCCOC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904320778 584863890 /nfs/dbraw/zinc/86/38/90/584863890.db2.gz OZVWFLMDHSSMLD-TXEJJXNPSA-N 2 0 242.363 0.851 20 0 BCADRP CNC(=O)[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904321405 584863897 /nfs/dbraw/zinc/86/38/97/584863897.db2.gz YTZGAMWGOMXZEC-GARJFASQSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@]1(C[N@H+](CCO)CCCO)CCC[NH2+]C1 ZINC000904320503 584864264 /nfs/dbraw/zinc/86/42/64/584864264.db2.gz JNXSBJYSKVMUBP-LBPRGKRZSA-N 2 0 230.352 0.053 20 0 BCADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCC[C@H]1O ZINC000904327239 584865501 /nfs/dbraw/zinc/86/55/01/584865501.db2.gz ACLAPKPHVIISNX-WISYIIOYSA-N 2 0 212.337 0.817 20 0 BCADRP C[C@]1(CN2CCO[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904332938 584866033 /nfs/dbraw/zinc/86/60/33/584866033.db2.gz UNEQCNQCWXCYPY-NEPJUHHUSA-N 2 0 227.352 0.036 20 0 BCADRP C[C@H](O)[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904330093 584866061 /nfs/dbraw/zinc/86/60/61/584866061.db2.gz ZIORQYJWJNHBFT-NNYUYHANSA-N 2 0 212.337 0.817 20 0 BCADRP Cn1cc(C(C)(C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cn1 ZINC000904329178 584866109 /nfs/dbraw/zinc/86/61/09/584866109.db2.gz MAENWLAOQBGUDZ-JGZJWPJOSA-N 2 0 222.336 0.982 20 0 BCADRP [NH3+][C@H]1C[C@@H](CN2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000904334010 584866787 /nfs/dbraw/zinc/86/67/87/584866787.db2.gz JEAQXFBBZQRKDU-YUTCNCBUSA-N 2 0 246.358 0.765 20 0 BCADRP C[C@H](CN1CCOCC1)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904342592 584867252 /nfs/dbraw/zinc/86/72/52/584867252.db2.gz LDSPHIDHEZXNSK-UPJWGTAASA-N 2 0 241.379 0.376 20 0 BCADRP COC[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000904342291 584867272 /nfs/dbraw/zinc/86/72/72/584867272.db2.gz CEMPNPIHEGGIOL-WYUUTHIRSA-N 2 0 228.336 0.459 20 0 BCADRP C[N@H+](CCc1cnccn1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343476 584867850 /nfs/dbraw/zinc/86/78/50/584867850.db2.gz ULAAQXRUUDOKDU-PHIMTYICSA-N 2 0 220.320 0.688 20 0 BCADRP C[C@H]1[C@H](C)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000904345656 584868437 /nfs/dbraw/zinc/86/84/37/584868437.db2.gz IGDKWMGYZHPLQK-FIQHERPVSA-N 2 0 211.353 0.748 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000904350101 584868883 /nfs/dbraw/zinc/86/88/83/584868883.db2.gz IAAOXPDNYIXSIS-FRRDWIJNSA-N 3 0 223.364 0.799 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC[C@]1(C)CCC[NH2+]C1 ZINC000904350468 584869075 /nfs/dbraw/zinc/86/90/75/584869075.db2.gz MBGBQUATHCZMEV-NWDGAFQWSA-N 2 0 213.369 0.949 20 0 BCADRP [NH3+]Cc1ccc(CNC[C@H]2CCC[NH2+]2)cc1 ZINC000904354492 584870302 /nfs/dbraw/zinc/87/03/02/584870302.db2.gz ZZRIQJKTSOQZBS-CYBMUJFWSA-N 2 0 219.332 0.987 20 0 BCADRP C[C@]1(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000904354935 584870653 /nfs/dbraw/zinc/87/06/53/584870653.db2.gz HHVBLIOZGLLECP-TUAOUCFPSA-N 3 0 211.353 0.703 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]C2CCN(CC[NH3+])CC2)CC[NH2+]1 ZINC000904355398 584870840 /nfs/dbraw/zinc/87/08/40/584870840.db2.gz NBQNICMXBGLZIK-AAEUAGOBSA-N 3 0 240.395 0.140 20 0 BCADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904355384 584870852 /nfs/dbraw/zinc/87/08/52/584870852.db2.gz MYFNGRKCINNVAI-SNVBAGLBSA-N 3 0 207.321 0.972 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C2CCN(CC[NH3+])CC2)CC[NH2+]1 ZINC000904355399 584871010 /nfs/dbraw/zinc/87/10/10/584871010.db2.gz NBQNICMXBGLZIK-DGCLKSJQSA-N 3 0 240.395 0.140 20 0 BCADRP CN(C[C@H]([NH3+])CCC(C)(C)C)C[C@@H](O)C[NH3+] ZINC000904358563 584872298 /nfs/dbraw/zinc/87/22/98/584872298.db2.gz PVGQTMMOAVPJNG-MNOVXSKESA-N 2 0 231.384 0.391 20 0 BCADRP COC(=O)C1(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904369054 584872643 /nfs/dbraw/zinc/87/26/43/584872643.db2.gz QPFDWUYVZYNODQ-LBPRGKRZSA-N 2 0 240.347 0.919 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+]CCc2ccccn2)C1 ZINC000904368742 584872718 /nfs/dbraw/zinc/87/27/18/584872718.db2.gz USUXXIHNKRNFAY-PHIMTYICSA-N 2 0 205.305 0.951 20 0 BCADRP CCN(C)C(=O)[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904368982 584872836 /nfs/dbraw/zinc/87/28/36/584872836.db2.gz PBYHCJFXXHVAKT-LPEHRKFASA-N 2 0 213.325 0.180 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)C1 ZINC000904370585 584872988 /nfs/dbraw/zinc/87/29/88/584872988.db2.gz BKLURZSUSKSFTK-WRWGMCAJSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@@]1(CN2CCCO[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904371507 584873126 /nfs/dbraw/zinc/87/31/26/584873126.db2.gz OULDXDUMGWBQOO-QWHCGFSZSA-N 2 0 241.379 0.426 20 0 BCADRP [NH3+]Cc1ccc(C[NH2+]C[C@H]2CNCCO2)cc1 ZINC000904371681 584873328 /nfs/dbraw/zinc/87/33/28/584873328.db2.gz QYKLLMGGYWXUJM-CYBMUJFWSA-N 2 0 235.331 0.223 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCN(c3ccccn3)C2)C1 ZINC000904363470 584874261 /nfs/dbraw/zinc/87/42/61/584874261.db2.gz GMTDJOMZAMAMAW-FRRDWIJNSA-N 2 0 246.358 0.987 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904374771 584874331 /nfs/dbraw/zinc/87/43/31/584874331.db2.gz WPZKZEXCGLVMJF-QWRGUYRKSA-N 3 0 228.384 0.125 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCN(c3ccccn3)C2)C1 ZINC000904363471 584874504 /nfs/dbraw/zinc/87/45/04/584874504.db2.gz GMTDJOMZAMAMAW-XQQFMLRXSA-N 2 0 246.358 0.987 20 0 BCADRP CC(C)OCCC[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904364922 584874640 /nfs/dbraw/zinc/87/46/40/584874640.db2.gz UCCCVAZTNPMDQW-UHFFFAOYSA-N 2 0 243.395 0.814 20 0 BCADRP C[C@@]1(C[NH2+]CCn2ccnc2)CCC[NH2+]C1 ZINC000904365295 584874980 /nfs/dbraw/zinc/87/49/80/584874980.db2.gz YNPGQLXNWTYTCS-GFCCVEGCSA-N 2 0 222.336 0.862 20 0 BCADRP Cn1ccc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000904395761 584875287 /nfs/dbraw/zinc/87/52/87/584875287.db2.gz BOKKBRSPWPIHNM-UHFFFAOYSA-N 2 0 222.336 0.020 20 0 BCADRP [NH3+]Cc1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000904396565 584875467 /nfs/dbraw/zinc/87/54/67/584875467.db2.gz QWCWIUNTJSFGOU-UHFFFAOYSA-N 3 0 248.374 0.140 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)C1 ZINC000904377078 584875865 /nfs/dbraw/zinc/87/58/65/584875865.db2.gz JIDFDJWXAXVZDK-NNYUYHANSA-N 2 0 237.347 0.324 20 0 BCADRP N[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1F ZINC000904379798 584876569 /nfs/dbraw/zinc/87/65/69/584876569.db2.gz XGIGLJJVAUMNDQ-UTINFBMNSA-N 2 0 201.289 0.095 20 0 BCADRP C[C@@]1(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]C1 ZINC000904384769 584877036 /nfs/dbraw/zinc/87/70/36/584877036.db2.gz NMBPWOQLCGHNEY-FRRDWIJNSA-N 2 0 223.364 0.812 20 0 BCADRP C[C@@]1(C[NH2+]CCOCCC[NH3+])CCC[NH2+]C1 ZINC000904381882 584877140 /nfs/dbraw/zinc/87/71/40/584877140.db2.gz WXVAWKDJPIPWSN-GFCCVEGCSA-N 3 0 229.368 0.331 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000904384696 584877438 /nfs/dbraw/zinc/87/74/38/584877438.db2.gz MEBUZRGPAKAOEN-WRWGMCAJSA-N 3 0 209.337 0.598 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C2CCN(CC[NH3+])CC2)[C@H](C)O1 ZINC000904385227 584877651 /nfs/dbraw/zinc/87/76/51/584877651.db2.gz VNRSYTUEGWXCJP-MDZLAQPJSA-N 2 0 241.379 0.565 20 0 BCADRP C[C@@H]([NH2+]C1CC(C[NH3+])C1)C1CC[NH2+]CC1 ZINC000904385420 584878050 /nfs/dbraw/zinc/87/80/50/584878050.db2.gz YGHOMOUQANLFNF-GRZMOONWSA-N 3 0 211.353 0.701 20 0 BCADRP Nc1ccnc(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904385673 584878166 /nfs/dbraw/zinc/87/81/66/584878166.db2.gz BKMYJVOPTKYEBA-WAAGHKOSSA-N 2 0 206.293 0.491 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000904405607 584878396 /nfs/dbraw/zinc/87/83/96/584878396.db2.gz KNQDSGQHINMIHY-NSHDSACASA-N 2 0 245.330 0.900 20 0 BCADRP CN(C)c1ncc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC000904406018 584878473 /nfs/dbraw/zinc/87/84/73/584878473.db2.gz NNNAVSPWVJMDFK-NSHDSACASA-N 2 0 249.362 0.713 20 0 BCADRP Nc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC000904406976 584878680 /nfs/dbraw/zinc/87/86/80/584878680.db2.gz ZHRZLJDLFSGSKF-SNVBAGLBSA-N 2 0 220.320 0.835 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@](N)(CO)C2)CC[NH2+]1 ZINC000904407324 584878912 /nfs/dbraw/zinc/87/89/12/584878912.db2.gz TXKNVNLLHJNSMO-UPJWGTAASA-N 2 0 241.379 0.160 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CCC[C@@]([NH3+])(CO)C1 ZINC000904407645 584879047 /nfs/dbraw/zinc/87/90/47/584879047.db2.gz YAACFAAILYXCEI-RYUDHWBXSA-N 2 0 229.368 0.145 20 0 BCADRP [NH3+]CC[C@@H]1CCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000904407603 584879108 /nfs/dbraw/zinc/87/91/08/584879108.db2.gz XITKNMYMCXFWBM-RKDXNWHRSA-N 2 0 221.295 0.640 20 0 BCADRP Nc1ncc(C[N@@H+]2CC[C@H](CC[NH3+])C2)s1 ZINC000904407274 584879271 /nfs/dbraw/zinc/87/92/71/584879271.db2.gz SCKSREYESREWAC-QMMMGPOBSA-N 2 0 226.349 0.896 20 0 BCADRP C[C@H]1C[N@H+](Cc2cnc(N)cn2)CC[C@@H]1C[NH3+] ZINC000904409843 584879353 /nfs/dbraw/zinc/87/93/53/584879353.db2.gz JSIHHBJGDZLGKL-VHSXEESVSA-N 2 0 235.335 0.476 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN1CCC[C@]([NH3+])(CO)C1 ZINC000904407128 584879388 /nfs/dbraw/zinc/87/93/88/584879388.db2.gz NTHMGHOQJZFJAV-NWDGAFQWSA-N 2 0 229.368 0.003 20 0 BCADRP C[C@H]1C[N@H+](Cc2cnnn2C)CC[C@@H]1C[NH3+] ZINC000904411923 584879491 /nfs/dbraw/zinc/87/94/91/584879491.db2.gz QFDAXPVLBUBSJC-VHSXEESVSA-N 2 0 223.324 0.232 20 0 BCADRP C([NH2+][C@@H]1CNOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904424437 584880802 /nfs/dbraw/zinc/88/08/02/584880802.db2.gz SDPNQKSIBIUPDY-HUAZRZQGSA-N 2 0 211.309 0.010 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1C[NH3+] ZINC000904419415 584882100 /nfs/dbraw/zinc/88/21/00/584882100.db2.gz VDRZOBBTUJSSRH-MROQNXINSA-N 3 0 225.380 0.901 20 0 BCADRP C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1CCOC1 ZINC000904420214 584882301 /nfs/dbraw/zinc/88/23/01/584882301.db2.gz GTYXPTWUAJDRRU-RWMBFGLXSA-N 2 0 224.348 0.954 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000876515869 584885639 /nfs/dbraw/zinc/88/56/39/584885639.db2.gz ZCZUGERFVXNVED-OUAUKWLOSA-N 2 0 239.363 0.700 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)C1 ZINC000876500584 584885642 /nfs/dbraw/zinc/88/56/42/584885642.db2.gz IPJRSHXIKHUYLP-ABZJQCSKSA-N 2 0 237.347 0.492 20 0 BCADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCC[NH2+]CC1 ZINC000876506677 584885758 /nfs/dbraw/zinc/88/57/58/584885758.db2.gz XMXDPGJHBPPYQV-QMAVJUDZSA-N 2 0 237.347 0.364 20 0 BCADRP CN(C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)[C@@H]1CC[NH2+]C1 ZINC000876527576 584885863 /nfs/dbraw/zinc/88/58/63/584885863.db2.gz AWPJEWWCWSWBMM-UTLUCORTSA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876534282 584885944 /nfs/dbraw/zinc/88/59/44/584885944.db2.gz AVCBCDWSBXNDLJ-BBBLOLIVSA-N 2 0 227.352 0.459 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876539248 584886141 /nfs/dbraw/zinc/88/61/41/584886141.db2.gz ACSFBWSUEJVDDZ-VHSXEESVSA-N 2 0 241.379 0.994 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC000876827709 584887088 /nfs/dbraw/zinc/88/70/88/584887088.db2.gz SFFYFLAOQXVDNE-ZJUUUORDSA-N 2 0 239.363 0.700 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000876792467 584887238 /nfs/dbraw/zinc/88/72/38/584887238.db2.gz WHGNWXDTHSKFJP-OPRDCNLKSA-N 2 0 225.336 0.213 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H](C)C[NH2+]1 ZINC000876796551 584887261 /nfs/dbraw/zinc/88/72/61/584887261.db2.gz GEXRNXRYDWKHHW-XGEHTFHBSA-N 2 0 247.289 0.035 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876934474 584888023 /nfs/dbraw/zinc/88/80/23/584888023.db2.gz HZVCSBIRCLUFHQ-KQXIARHKSA-N 2 0 239.363 0.761 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000876924694 584888047 /nfs/dbraw/zinc/88/80/47/584888047.db2.gz QDCQJHCWXFVOPG-YPMHNXCESA-N 2 0 235.331 0.388 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)C[NH2+]1 ZINC000877051174 584889046 /nfs/dbraw/zinc/88/90/46/584889046.db2.gz KBVNTOSZUAXKHF-DCAQKATOSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)C=C2CC[NH2+]CC2)C[NH2+]1 ZINC000877052058 584889149 /nfs/dbraw/zinc/88/91/49/584889149.db2.gz OVIWQHUGUJBJLS-ZYHUDNBSSA-N 2 0 237.347 0.553 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877171215 584891198 /nfs/dbraw/zinc/89/11/98/584891198.db2.gz BTSWQRYVNUSPJD-UZWSLXQKSA-N 2 0 237.347 0.467 20 0 BCADRP CCCN(C(=O)[C@H]([NH3+])CC1CC1)[C@@H]1CC[NH2+]C1 ZINC000884026632 584901061 /nfs/dbraw/zinc/90/10/61/584901061.db2.gz IGWWIRCWJHDMKB-VXGBXAGGSA-N 2 0 239.363 0.714 20 0 BCADRP COCC[C@H]([NH3+])C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000884034739 584939498 /nfs/dbraw/zinc/93/94/98/584939498.db2.gz KSSMFPDOOFJNRY-JQWIXIFHSA-N 2 0 245.367 0.230 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000733367595 584947289 /nfs/dbraw/zinc/94/72/89/584947289.db2.gz GEVOKCJGCJXKCJ-NWDGAFQWSA-N 2 0 239.363 0.348 20 0 BCADRP CC[C@@]1(C(=O)NC[C@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000215297133 584953460 /nfs/dbraw/zinc/95/34/60/584953460.db2.gz MWEUWSNVIVAGAM-JQWIXIFHSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH+](C)CC1CC[NH+](CN2CCCC2=O)CC1 ZINC000738075174 585040969 /nfs/dbraw/zinc/04/09/69/585040969.db2.gz DXTSTDGPMXOZQA-UHFFFAOYSA-N 2 0 239.363 0.840 20 0 BCADRP C[NH+](C)C1(C(=O)N2CCC[N@H+](C)CC2)CCC1 ZINC000758049259 585348680 /nfs/dbraw/zinc/34/86/80/585348680.db2.gz FBKATKYREKXWSF-UHFFFAOYSA-N 2 0 239.363 0.635 20 0 BCADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH+](C)C ZINC000763025429 585441655 /nfs/dbraw/zinc/44/16/55/585441655.db2.gz RXEUPTRENGUGRY-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H]1CN(CC[NH+]2CCCC2)CC[N@@H+]1CCO ZINC000778358344 585732317 /nfs/dbraw/zinc/73/23/17/585732317.db2.gz XVUMRVBIPLXTSA-ZDUSSCGKSA-N 2 0 241.379 0.081 20 0 BCADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)CCO)CC1 ZINC000779342034 585752005 /nfs/dbraw/zinc/75/20/05/585752005.db2.gz QHBTYSWWAPZYHG-OLZOCXBDSA-N 2 0 243.395 0.373 20 0 BCADRP C[C@H](C[NH2+][C@@H](C)CCO)CN1CC[NH+](C)CC1 ZINC000779398149 585753311 /nfs/dbraw/zinc/75/33/11/585753311.db2.gz DPTLEYMSMUMMNU-OLZOCXBDSA-N 2 0 243.395 0.230 20 0 BCADRP C[C@@H](C[NH2+][C@@H](C)CCO)CN1CC[NH+](C)CC1 ZINC000779398153 585753388 /nfs/dbraw/zinc/75/33/88/585753388.db2.gz DPTLEYMSMUMMNU-STQMWFEESA-N 2 0 243.395 0.230 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)CCO ZINC000779405326 585753548 /nfs/dbraw/zinc/75/35/48/585753548.db2.gz WTPBFGJWYSQXQP-NEPJUHHUSA-N 2 0 232.368 0.704 20 0 BCADRP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000788327754 585922055 /nfs/dbraw/zinc/92/20/55/585922055.db2.gz RNQPHYPHRGVPAM-NEPJUHHUSA-N 2 0 235.331 0.973 20 0 BCADRP CC(C)[N@@H+](CC(N)=O)CC1CC[NH+](C)CC1 ZINC000788467934 585924849 /nfs/dbraw/zinc/92/48/49/585924849.db2.gz BNPWOLDAKBWFSZ-UHFFFAOYSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)[NH+](C)C ZINC000793934927 586029019 /nfs/dbraw/zinc/02/90/19/586029019.db2.gz ZWXUSJICWJFDQR-SDDRHHMPSA-N 2 0 239.363 0.347 20 0 BCADRP CON(C)C(=O)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000799122892 586160235 /nfs/dbraw/zinc/16/02/35/586160235.db2.gz HMLXSASDDTVHSM-LLVKDONJSA-N 2 0 243.351 0.280 20 0 BCADRP CC[C@H](N[C@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000817890559 586831918 /nfs/dbraw/zinc/83/19/18/586831918.db2.gz UEWBPICAVKRKGB-SRVKXCTJSA-N 2 0 211.353 0.811 20 0 BCADRP COC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])C1 ZINC000817902935 586836538 /nfs/dbraw/zinc/83/65/38/586836538.db2.gz BYBNKHJAZJCTBW-HBNTYKKESA-N 2 0 241.335 0.687 20 0 BCADRP CC(C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000817906360 586836830 /nfs/dbraw/zinc/83/68/30/586836830.db2.gz YQEXRAIZUIPZJI-DCAQKATOSA-N 2 0 200.326 0.863 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(C)OCCO1 ZINC000817916037 586838999 /nfs/dbraw/zinc/83/89/99/586838999.db2.gz CMECDNKRWFZRDC-QWRGUYRKSA-N 2 0 228.336 0.727 20 0 BCADRP C[C@H]1CC2(C[N@@H+]1Cc1cnn(C)n1)CC[NH2+]CC2 ZINC000818340468 586887605 /nfs/dbraw/zinc/88/76/05/586887605.db2.gz MLXHVTUTTRHCTE-NSHDSACASA-N 2 0 249.362 0.779 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCN1CCOC1=O ZINC000818340510 586887700 /nfs/dbraw/zinc/88/77/00/586887700.db2.gz OJKYDVDUGHVAOD-NXEZZACHSA-N 2 0 227.308 0.298 20 0 BCADRP CN(C(=O)c1cccc(C[NH3+])c1)[C@H]1CC[NH2+]C1 ZINC000818547466 586898855 /nfs/dbraw/zinc/89/88/55/586898855.db2.gz VFJNZJKINZIEJK-LBPRGKRZSA-N 2 0 233.315 0.579 20 0 BCADRP CC[NH2+]CC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000818567791 586901885 /nfs/dbraw/zinc/90/18/85/586901885.db2.gz NGUHAOCEKZPNLP-UHFFFAOYSA-N 2 0 237.303 0.572 20 0 BCADRP CC[NH2+]CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000818574778 586902903 /nfs/dbraw/zinc/90/29/03/586902903.db2.gz NHGGLNMNTDZECX-HBNTYKKESA-N 2 0 225.336 0.182 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000818592369 586904096 /nfs/dbraw/zinc/90/40/96/586904096.db2.gz SMTSJTACQNORNB-LBPRGKRZSA-N 2 0 225.336 0.198 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818612718 586905692 /nfs/dbraw/zinc/90/56/92/586905692.db2.gz UONDCSIEMUAFJN-MFKMUULPSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H](C(=O)N1CC[C@]2(CCC[NH2+]2)C1)[C@H](C)[NH3+] ZINC000818612957 586906500 /nfs/dbraw/zinc/90/65/00/586906500.db2.gz ZNKCIROWLZDPHC-JFGNBEQYSA-N 2 0 225.336 0.324 20 0 BCADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC000819366517 586957892 /nfs/dbraw/zinc/95/78/92/586957892.db2.gz RDGQMJLSBMVOMH-NSHDSACASA-N 2 0 248.392 0.353 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000819987115 587011265 /nfs/dbraw/zinc/01/12/65/587011265.db2.gz OSJMILLESCOLKD-LBPRGKRZSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@@H](NC1CC[NH+](C)CC1)c1cnnn1C ZINC000820805801 587073372 /nfs/dbraw/zinc/07/33/72/587073372.db2.gz RVNNMQOOCQZMCU-SECBINFHSA-N 2 0 223.324 0.560 20 0 BCADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH+](C)C ZINC000824431746 587269514 /nfs/dbraw/zinc/26/95/14/587269514.db2.gz JCGXMJVGIBFMQW-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP CN(CC1C[NH+](C)C1)C(=O)C[NH+]1CCCC1 ZINC000824496388 587272054 /nfs/dbraw/zinc/27/20/54/587272054.db2.gz MMHYHUMIZYXUJD-UHFFFAOYSA-N 2 0 225.336 0.102 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC000824898205 587292311 /nfs/dbraw/zinc/29/23/11/587292311.db2.gz IUSPJVIEXGLAAZ-LLVKDONJSA-N 2 0 225.336 0.293 20 0 BCADRP C[NH+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827329437 587375597 /nfs/dbraw/zinc/37/55/97/587375597.db2.gz GNTAYCMSKQRERW-WDEREUQCSA-N 2 0 225.336 0.101 20 0 BCADRP CC[N@H+](CCNC(=O)C[C@H]([NH3+])C1CC1)C(C)C ZINC000828318446 587434538 /nfs/dbraw/zinc/43/45/38/587434538.db2.gz PSYCDEGYJMIBRC-LBPRGKRZSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]CCCCCCCn1nnnc1C[NH3+] ZINC000830463273 587552234 /nfs/dbraw/zinc/55/22/34/587552234.db2.gz NWOMXKRJRCAGHI-UHFFFAOYSA-N 2 0 212.301 0.041 20 0 BCADRP [NH3+]CCCCCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000831184504 587589836 /nfs/dbraw/zinc/58/98/36/587589836.db2.gz PATVGZDPWCDNOF-NSHDSACASA-N 2 0 242.367 0.542 20 0 BCADRP CN(CCC[NH3+])C(=O)NCCCCCC[NH3+] ZINC000831290699 587595935 /nfs/dbraw/zinc/59/59/35/587595935.db2.gz DZYDDZAMOASPKN-UHFFFAOYSA-N 2 0 230.356 0.496 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)NCCCCCC[NH3+] ZINC000831290691 587595948 /nfs/dbraw/zinc/59/59/48/587595948.db2.gz DTVJGQWUVQINQA-JTQLQIEISA-N 2 0 230.356 0.494 20 0 BCADRP [NH3+]CCCCCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000831700986 587627838 /nfs/dbraw/zinc/62/78/38/587627838.db2.gz SUCDKGHCOQKMNU-RYUDHWBXSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+][C@H](CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)C1CC1 ZINC000831700874 587628224 /nfs/dbraw/zinc/62/82/24/587628224.db2.gz PKHJXXSSBSSKPW-QJPTWQEYSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)CCC[NH3+] ZINC000831970598 587640224 /nfs/dbraw/zinc/64/02/24/587640224.db2.gz JHQJIVLZYMIHQF-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831970425 587640648 /nfs/dbraw/zinc/64/06/48/587640648.db2.gz HCLPMCACEOCPSV-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)CC1([NH3+])CCC1 ZINC000831970404 587640714 /nfs/dbraw/zinc/64/07/14/587640714.db2.gz GBNZTTYDJVUGJF-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP C[NH2+]CCC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831971450 587640787 /nfs/dbraw/zinc/64/07/87/587640787.db2.gz XTEBOWQVAWXULC-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)CCCC[NH3+] ZINC000831970289 587640836 /nfs/dbraw/zinc/64/08/36/587640836.db2.gz BROFNXQTAJNSQU-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831970841 587640862 /nfs/dbraw/zinc/64/08/62/587640862.db2.gz NBMRSLMHUYIKQN-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C[NH+](C)CCN(C(=O)C[C@@H]([NH3+])C1CC1)C1CC1 ZINC000832157916 587647116 /nfs/dbraw/zinc/64/71/16/587647116.db2.gz FEYSHOROISPKNC-GFCCVEGCSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+]CCCCCCC(=O)NC1CC[NH2+]CC1 ZINC000832212841 587650549 /nfs/dbraw/zinc/65/05/49/587650549.db2.gz MPCJFCDWZWCFNS-UHFFFAOYSA-N 2 0 227.352 0.764 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000832223717 587651294 /nfs/dbraw/zinc/65/12/94/587651294.db2.gz SLWAYTVTOKBMGD-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000832452462 587660698 /nfs/dbraw/zinc/66/06/98/587660698.db2.gz MZFVHBRAYJKOKP-NEPJUHHUSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)c1cccc(C[NH3+])c1 ZINC000832465197 587661887 /nfs/dbraw/zinc/66/18/87/587661887.db2.gz GOLJJJLWPHZUQM-JTQLQIEISA-N 2 0 233.315 0.579 20 0 BCADRP C[C@@H]([NH3+])C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000832603864 587668512 /nfs/dbraw/zinc/66/85/12/587668512.db2.gz POPDKQVFQDTEDS-MRVPVSSYSA-N 2 0 223.276 0.310 20 0 BCADRP C[C@@H]([NH3+])CC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000832606282 587668964 /nfs/dbraw/zinc/66/89/64/587668964.db2.gz DTBSLJILMJILHK-SECBINFHSA-N 2 0 237.303 0.700 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)CCCCC[NH3+])CCO1 ZINC000834316962 587751245 /nfs/dbraw/zinc/75/12/45/587751245.db2.gz NRYNXLYCKPPLPL-MNOVXSKESA-N 2 0 243.351 0.080 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)CCCCC[NH3+])CCO1 ZINC000834316964 587751360 /nfs/dbraw/zinc/75/13/60/587751360.db2.gz NRYNXLYCKPPLPL-QWRGUYRKSA-N 2 0 243.351 0.080 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCCCC[NH3+] ZINC000834545866 587759145 /nfs/dbraw/zinc/75/91/45/587759145.db2.gz CBKFBJUIKGIFER-GHMZBOCLSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000834582551 587759873 /nfs/dbraw/zinc/75/98/73/587759873.db2.gz SDAMUXYXMVTDTL-NXEZZACHSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000834608867 587760480 /nfs/dbraw/zinc/76/04/80/587760480.db2.gz ZFTKXBJLFQIMSS-QMMMGPOBSA-N 2 0 219.288 0.367 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH3+])[C@@H](C)[NH3+] ZINC000834618792 587761122 /nfs/dbraw/zinc/76/11/22/587761122.db2.gz NGNUXYKOWTUHHT-YIZRAAEISA-N 2 0 201.314 0.069 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000834703515 587764725 /nfs/dbraw/zinc/76/47/25/587764725.db2.gz MGEPQRMSQOLGFG-JQWIXIFHSA-N 2 0 239.363 0.701 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000834703516 587764791 /nfs/dbraw/zinc/76/47/91/587764791.db2.gz MGEPQRMSQOLGFG-PWSUYJOCSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)C[C@H]([NH3+])C1CC1 ZINC000834785863 587766922 /nfs/dbraw/zinc/76/69/22/587766922.db2.gz IUAMUMLYHRBYIH-ONGXEEELSA-N 2 0 227.352 0.748 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)CCCCC[NH3+] ZINC000834825559 587767994 /nfs/dbraw/zinc/76/79/94/587767994.db2.gz DHHNDOGSBJPTOK-VIFPVBQESA-N 2 0 201.314 0.359 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@H](CC[NH3+])C(F)F ZINC000834829876 587768286 /nfs/dbraw/zinc/76/82/86/587768286.db2.gz FLSBMGOFVUNHOW-MRVPVSSYSA-N 2 0 237.294 0.604 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000834861332 587768767 /nfs/dbraw/zinc/76/87/67/587768767.db2.gz ILSSAYKFDUTDOB-MIMYLULJSA-N 2 0 225.336 0.357 20 0 BCADRP CC1(C)CN(C(=O)CCCCC[NH3+])CC[NH2+]1 ZINC000834865916 587768904 /nfs/dbraw/zinc/76/89/04/587768904.db2.gz HTGJSEKSJSCKIZ-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP CC[C@@](C)(CC(=O)OC)[NH2+]CCC[NH3+] ZINC000841011273 587935547 /nfs/dbraw/zinc/93/55/47/587935547.db2.gz GTSTWGRCUYBAOL-JTQLQIEISA-N 2 0 202.298 0.657 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000841851806 587976055 /nfs/dbraw/zinc/97/60/55/587976055.db2.gz XXJVCQKCBQRKEP-ZYHUDNBSSA-N 2 0 243.326 0.418 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)[C@H]1C[NH3+] ZINC000841848515 587977102 /nfs/dbraw/zinc/97/71/02/587977102.db2.gz KTICAQLPINOTOD-USWWRNFRSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)([NH3+])CC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841846177 587977309 /nfs/dbraw/zinc/97/73/09/587977309.db2.gz PKEPZXDUOMBAHW-UHFFFAOYSA-N 2 0 249.358 0.931 20 0 BCADRP [NH3+][C@@H](CNC(=O)C[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000841848028 587977316 /nfs/dbraw/zinc/97/73/16/587977316.db2.gz QRLYAEBCOZGWPZ-OLZOCXBDSA-N 2 0 247.342 0.930 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841845692 587977355 /nfs/dbraw/zinc/97/73/55/587977355.db2.gz GDHLTXMXPXPDFP-MWLCHTKSSA-N 2 0 225.336 0.385 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000841848855 587977796 /nfs/dbraw/zinc/97/77/96/587977796.db2.gz HFJUTBKGOQEBSR-DGCLKSJQSA-N 2 0 241.379 0.994 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000841849185 587977806 /nfs/dbraw/zinc/97/78/06/587977806.db2.gz AHQFYPIXCQPYSH-RYUDHWBXSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@]1(CNC(=O)[C@]2(F)CC[NH2+]C2)CCC[NH2+]C1 ZINC000841849977 587977990 /nfs/dbraw/zinc/97/79/90/587977990.db2.gz RYIJUJSCEGDCHE-NEPJUHHUSA-N 2 0 243.326 0.194 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000841849147 587978049 /nfs/dbraw/zinc/97/80/49/587978049.db2.gz WRMMUPWADRVLIT-SNVBAGLBSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000841851804 587978368 /nfs/dbraw/zinc/97/83/68/587978368.db2.gz XXJVCQKCBQRKEP-JQWIXIFHSA-N 2 0 243.326 0.418 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000841851757 587978402 /nfs/dbraw/zinc/97/84/02/587978402.db2.gz PHDDUNVHMZVMTM-GXFFZTMASA-N 2 0 247.342 0.873 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000841851791 587978446 /nfs/dbraw/zinc/97/84/46/587978446.db2.gz PKUPZSKWNVDLOO-SRVKXCTJSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+][C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CC1 ZINC000841850688 587978528 /nfs/dbraw/zinc/97/85/28/587978528.db2.gz CWSWZYGEJZNDBS-GRYCIOLGSA-N 2 0 237.347 0.467 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)C[NH3+] ZINC000841983083 587987927 /nfs/dbraw/zinc/98/79/27/587987927.db2.gz YVXCZLCFZFHUOT-VHSXEESVSA-N 2 0 228.340 0.069 20 0 BCADRP CN(C(=O)CCCCC[NH3+])[C@@H](C[NH3+])C1CC1 ZINC000842510644 588031921 /nfs/dbraw/zinc/03/19/21/588031921.db2.gz SIMVKPZQOLLRQX-NSHDSACASA-N 2 0 227.352 0.701 20 0 BCADRP [NH3+][C@H](CC(=O)N1CC[C@]2(CCC[NH2+]2)C1)C1CC1 ZINC000842514321 588032376 /nfs/dbraw/zinc/03/23/76/588032376.db2.gz WHOVBWMKFIKUJU-DGCLKSJQSA-N 2 0 237.347 0.468 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842511566 588032443 /nfs/dbraw/zinc/03/24/43/588032443.db2.gz DIJCQZXNDLZXLV-ZDUSSCGKSA-N 2 0 239.363 0.729 20 0 BCADRP [NH3+][C@@H](Cc1nc([C@@H]2CCC[NH2+]2)no1)C1CC1 ZINC000842640671 588048559 /nfs/dbraw/zinc/04/85/59/588048559.db2.gz BAJPFNUVNKSDPL-IUCAKERBSA-N 2 0 222.292 0.774 20 0 BCADRP C[NH2+]CC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843327338 588100330 /nfs/dbraw/zinc/10/03/30/588100330.db2.gz GZKNSGBCDHSZNH-UHFFFAOYSA-N 2 0 221.304 0.023 20 0 BCADRP [NH3+]CCc1ccc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000843326758 588100345 /nfs/dbraw/zinc/10/03/45/588100345.db2.gz RXWXBWAZILGMMW-BETUJISGSA-N 2 0 247.342 0.541 20 0 BCADRP O=C([C@H]1CCC[N@@H+](CCF)C1)N1CC[NH2+]CC1 ZINC000843346907 588101285 /nfs/dbraw/zinc/10/12/85/588101285.db2.gz POSYGADDTDYXDM-NSHDSACASA-N 2 0 243.326 0.100 20 0 BCADRP C[C@](C[NH3+])(NC(=O)C[C@@H]([NH3+])C1CC1)C1CC1 ZINC000843344128 588101504 /nfs/dbraw/zinc/10/15/04/588101504.db2.gz MSPFJLOOXDKMPE-ZYHUDNBSSA-N 2 0 225.336 0.357 20 0 BCADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843451025 588111394 /nfs/dbraw/zinc/11/13/94/588111394.db2.gz IWSJWAQYPLQPLL-SDQMAMAVSA-N 2 0 249.358 0.323 20 0 BCADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000843451762 588111412 /nfs/dbraw/zinc/11/14/12/588111412.db2.gz XQRKFCVGNPQTJU-PQENDOFNSA-N 2 0 237.347 0.595 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000843455837 588111715 /nfs/dbraw/zinc/11/17/15/588111715.db2.gz WMIRVVQPLDWRBK-AXFHLTTASA-N 2 0 225.336 0.195 20 0 BCADRP CC[NH2+]CC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000843452711 588111755 /nfs/dbraw/zinc/11/17/55/588111755.db2.gz MCMWTQLGTRZFHC-UHFFFAOYSA-N 2 0 225.336 0.198 20 0 BCADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843474760 588114075 /nfs/dbraw/zinc/11/40/75/588114075.db2.gz UXPVCBACLJBMRU-NRWUCQMLSA-N 2 0 249.358 0.339 20 0 BCADRP C[C@H]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000843498763 588115945 /nfs/dbraw/zinc/11/59/45/588115945.db2.gz SHNBZNYKLYMITM-SRVKXCTJSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@@]1(C(=O)NCCCCCC[NH3+])CC[NH2+]C1 ZINC000843506237 588117223 /nfs/dbraw/zinc/11/72/23/588117223.db2.gz QMRDPDISBAOSQY-GFCCVEGCSA-N 2 0 227.352 0.621 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000843511689 588117578 /nfs/dbraw/zinc/11/75/78/588117578.db2.gz HMQRITMCRILKLF-DGCLKSJQSA-N 2 0 239.363 0.621 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC000843512412 588117667 /nfs/dbraw/zinc/11/76/67/588117667.db2.gz KOLAPMWJCCZBKE-ZDUSSCGKSA-N 2 0 247.342 0.889 20 0 BCADRP [NH3+]CCCCCCNC(=O)CC1(C[NH3+])CC1 ZINC000843511083 588117693 /nfs/dbraw/zinc/11/76/93/588117693.db2.gz GAFJDWYWNQEPAF-UHFFFAOYSA-N 2 0 227.352 0.751 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843511702 588117746 /nfs/dbraw/zinc/11/77/46/588117746.db2.gz IGKSWMNROPUEHA-URLYPYJESA-N 2 0 225.336 0.087 20 0 BCADRP [NH3+]CCCCCCNC(=O)C[NH2+]C1CC1 ZINC000843512765 588117939 /nfs/dbraw/zinc/11/79/39/588117939.db2.gz PPVMANMCVFSCMQ-UHFFFAOYSA-N 2 0 213.325 0.374 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000844176474 588172387 /nfs/dbraw/zinc/17/23/87/588172387.db2.gz TTXVEWSWKZPPJY-JTQLQIEISA-N 2 0 213.325 0.052 20 0 BCADRP CC[NH2+]CC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000844172514 588170645 /nfs/dbraw/zinc/17/06/45/588170645.db2.gz VAYWKUSLLYDSGY-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC[NH2+]C1 ZINC000844162616 588171146 /nfs/dbraw/zinc/17/11/46/588171146.db2.gz AQWURKYAAWQXCH-LBPRGKRZSA-N 2 0 239.363 0.731 20 0 BCADRP CC[NH2+]CC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000844170963 588171753 /nfs/dbraw/zinc/17/17/53/588171753.db2.gz OLIWZJGCGSXKGE-LLVKDONJSA-N 2 0 245.392 0.149 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000844171894 588172057 /nfs/dbraw/zinc/17/20/57/588172057.db2.gz NZKAGLHUEIZYBR-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000844183049 588172262 /nfs/dbraw/zinc/17/22/62/588172262.db2.gz ONGXFOVZEZVKJO-LLVKDONJSA-N 2 0 225.336 0.291 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000844175159 588172470 /nfs/dbraw/zinc/17/24/70/588172470.db2.gz BSERAGHKKXYGRD-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)CCCC[NH+]1CCCC1 ZINC000844192759 588172738 /nfs/dbraw/zinc/17/27/38/588172738.db2.gz PVOWXTOZAIZOCH-GFCCVEGCSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)NCCC1CC[NH2+]CC1 ZINC000846174110 588259213 /nfs/dbraw/zinc/25/92/13/588259213.db2.gz VNAANWIRJZAXFB-VIFPVBQESA-N 2 0 228.340 0.023 20 0 BCADRP [NH3+]C[C@H]1CCCN(Cc2cc3n(n2)CCC3)C1 ZINC000846216104 588260268 /nfs/dbraw/zinc/26/02/68/588260268.db2.gz PMYAKGFMGKJFRJ-LLVKDONJSA-N 2 0 234.347 1.000 20 0 BCADRP CC(C)(C)[C@H]([NH2+]CCCCCC[NH3+])C(N)=O ZINC000846221412 588261060 /nfs/dbraw/zinc/26/10/60/588261060.db2.gz ISRLKQOUVSTDSE-SNVBAGLBSA-N 2 0 229.368 0.995 20 0 BCADRP CC[NH2+]CC(=O)NCc1ccc(C[NH3+])cc1F ZINC000846694222 588283143 /nfs/dbraw/zinc/28/31/43/588283143.db2.gz UFVPIQQRSZBGKP-UHFFFAOYSA-N 2 0 239.294 0.510 20 0 BCADRP [NH3+]CCC1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000846699713 588283353 /nfs/dbraw/zinc/28/33/53/588283353.db2.gz QCVNZIZDDGVKMO-LBPRGKRZSA-N 2 0 243.326 0.275 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000846741410 588284181 /nfs/dbraw/zinc/28/41/81/588284181.db2.gz BILBAPYSSKQGGM-TUAOUCFPSA-N 2 0 239.363 0.857 20 0 BCADRP O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000848427813 588383867 /nfs/dbraw/zinc/38/38/67/588383867.db2.gz QQXMZOCXSNQWHQ-NMKXLXIOSA-N 2 0 249.358 0.196 20 0 BCADRP Cn1ncc(CCC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000848720089 588408371 /nfs/dbraw/zinc/40/83/71/588408371.db2.gz JIBURTSHDGXDAR-MNOVXSKESA-N 2 0 237.351 0.607 20 0 BCADRP C[C@H]1CN(C(=[NH2+])NCCC[NH+](C)C)CCO1 ZINC000848980348 588423327 /nfs/dbraw/zinc/42/33/27/588423327.db2.gz CURURELPJJELQL-JTQLQIEISA-N 2 0 228.340 0.183 20 0 BCADRP C[C@H]1CN(C(=[NH2+])NCC[NH+]2CCCC2)CCO1 ZINC000848982516 588424080 /nfs/dbraw/zinc/42/40/80/588424080.db2.gz SLBUVUIZRFVVMX-NSHDSACASA-N 2 0 240.351 0.327 20 0 BCADRP CNC(=[NH2+])NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000848982447 588424254 /nfs/dbraw/zinc/42/42/54/588424254.db2.gz ANFHLXYYLBWAER-JTQLQIEISA-N 2 0 228.340 0.087 20 0 BCADRP CC(C)C[C@@H](CNC1=[NH+]C[C@@H](C)N1)[NH+](C)C ZINC000848983934 588425086 /nfs/dbraw/zinc/42/50/86/588425086.db2.gz UAMAIYDPBMYUNC-MNOVXSKESA-N 2 0 226.368 0.900 20 0 BCADRP CC1CC[NH+](CCNC(=[NH2+])N2CCC2)CC1 ZINC000848987550 588426062 /nfs/dbraw/zinc/42/60/62/588426062.db2.gz GAVWSUVIPJKMHV-UHFFFAOYSA-N 2 0 224.352 0.948 20 0 BCADRP [NH2+]=C(NCCC[NH+]1CCC(O)CC1)N1CCC1 ZINC000848987939 588426127 /nfs/dbraw/zinc/42/61/27/588426127.db2.gz QURWYRUBJINTGN-UHFFFAOYSA-N 2 0 240.351 0.063 20 0 BCADRP CN(C(=[NH2+])NCCCC[NH+](C)C)C1CC1 ZINC000848989865 588426693 /nfs/dbraw/zinc/42/66/93/588426693.db2.gz ILVXMWBCEXLFJR-UHFFFAOYSA-N 2 0 212.341 0.947 20 0 BCADRP CCOCCCNC(=[NH2+])NCCCC[NH+](C)C ZINC000848989993 588426820 /nfs/dbraw/zinc/42/68/20/588426820.db2.gz QAYZEJHURKCMLW-UHFFFAOYSA-N 2 0 244.383 0.869 20 0 BCADRP CCNC(=[NH2+])NCCCC[NH+]1CCN(C)CC1 ZINC000848989600 588426829 /nfs/dbraw/zinc/42/68/29/588426829.db2.gz ZGCSRAJOLXMTBF-UHFFFAOYSA-N 2 0 241.383 0.148 20 0 BCADRP CN(C)C(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000848992729 588427797 /nfs/dbraw/zinc/42/77/97/588427797.db2.gz RGMHLSAIGWNMIG-SECBINFHSA-N 2 0 210.325 0.557 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000848992670 588427812 /nfs/dbraw/zinc/42/78/12/588427812.db2.gz PGTSJMKGLVQOTG-VIFPVBQESA-N 2 0 210.325 0.605 20 0 BCADRP CC(C)NC(=[NH2+])NCCNc1cc[nH+]cc1 ZINC000848995201 588428652 /nfs/dbraw/zinc/42/86/52/588428652.db2.gz DRVOAYNNTSBLSA-UHFFFAOYSA-N 2 0 221.308 0.438 20 0 BCADRP C[NH+]1CCC(CCNC(=[NH2+])N2CCC2)CC1 ZINC000848998395 588430081 /nfs/dbraw/zinc/43/00/81/588430081.db2.gz DCEIUYBSXGNWBS-UHFFFAOYSA-N 2 0 224.352 0.948 20 0 BCADRP CCNC(=[NH2+])NCCCN1CCC[N@H+](C)CC1 ZINC000849000006 588430527 /nfs/dbraw/zinc/43/05/27/588430527.db2.gz FJEUBXJRILFQRI-UHFFFAOYSA-N 2 0 241.383 0.148 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=[NH2+])N(C)C2CC2)C1 ZINC000849005132 588432078 /nfs/dbraw/zinc/43/20/78/588432078.db2.gz ZEIYZHGJJRGDHD-JTQLQIEISA-N 2 0 224.352 0.947 20 0 BCADRP C[C@H]1CC[N@H+](CCNC2=[NH+]CCCN2C)C1 ZINC000849004682 588432290 /nfs/dbraw/zinc/43/22/90/588432290.db2.gz VPTCOKHBDAHCBH-NSHDSACASA-N 2 0 224.352 0.609 20 0 BCADRP CC(C)CCNC(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1 ZINC000849019146 588438112 /nfs/dbraw/zinc/43/81/12/588438112.db2.gz LNBOYCVUQJNOAB-GFCCVEGCSA-N 2 0 242.367 0.213 20 0 BCADRP CC(C)CCNC(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1 ZINC000849019147 588438266 /nfs/dbraw/zinc/43/82/66/588438266.db2.gz LNBOYCVUQJNOAB-LBPRGKRZSA-N 2 0 242.367 0.213 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC ZINC000849027720 588441270 /nfs/dbraw/zinc/44/12/70/588441270.db2.gz ITWVNCZPCNGBPM-JTQLQIEISA-N 2 0 212.341 0.995 20 0 BCADRP C[C@@H](CNC(=[NH2+])N1CCSCC1)C[NH+](C)C ZINC000849030712 588442676 /nfs/dbraw/zinc/44/26/76/588442676.db2.gz TYVKCAAXNFRNIT-JTQLQIEISA-N 2 0 244.408 0.757 20 0 BCADRP C[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)C[NH+](C)C ZINC000849030822 588442705 /nfs/dbraw/zinc/44/27/05/588442705.db2.gz YEWQQFVSWBTXGE-QWRGUYRKSA-N 2 0 242.367 0.429 20 0 BCADRP C[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)C[NH+](C)C ZINC000849030611 588442874 /nfs/dbraw/zinc/44/28/74/588442874.db2.gz PPDGJXMARSEIFF-WDEREUQCSA-N 2 0 242.367 0.477 20 0 BCADRP COC[C@H](C)NC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849048520 588450944 /nfs/dbraw/zinc/45/09/44/588450944.db2.gz IILJCXDHKMHUNG-GARJFASQSA-N 2 0 242.367 0.475 20 0 BCADRP C[NH+](C)CCn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000849137943 588454489 /nfs/dbraw/zinc/45/44/89/588454489.db2.gz UYKNFCDSFZSYMC-NSHDSACASA-N 2 0 237.351 0.382 20 0 BCADRP COCC[N@H+](C)CCCNC1=[NH+]CCCCN1 ZINC000849215578 588462428 /nfs/dbraw/zinc/46/24/28/588462428.db2.gz RIRMEOCJXQYPCI-UHFFFAOYSA-N 2 0 242.367 0.284 20 0 BCADRP C[C@H](CCNC(=S)NCC[NH+](C)C)[NH+](C)C ZINC000849279838 588469226 /nfs/dbraw/zinc/46/92/26/588469226.db2.gz IVRGCOLLAXYJKC-SNVBAGLBSA-N 2 0 246.424 0.352 20 0 BCADRP O=C1CCC2=C(CC[N@H+](CC3CC[NH2+]CC3)C2)N1 ZINC000849350062 588475006 /nfs/dbraw/zinc/47/50/06/588475006.db2.gz JKUXUFFIYQANIJ-UHFFFAOYSA-N 2 0 249.358 0.856 20 0 BCADRP CON(C)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000850478963 588550144 /nfs/dbraw/zinc/55/01/44/588550144.db2.gz IMFGUZWNVJHRHV-NEPJUHHUSA-N 2 0 227.352 0.696 20 0 BCADRP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C1CC1 ZINC000109813208 588595960 /nfs/dbraw/zinc/59/59/60/588595960.db2.gz JZNYAFNDXHLFFP-UHFFFAOYSA-N 2 0 225.336 0.291 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NCCCCCC[NH3+] ZINC000851667161 588614061 /nfs/dbraw/zinc/61/40/61/588614061.db2.gz NRUQNVNVPORCJY-UHFFFAOYSA-N 2 0 244.383 0.884 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NCCCCCC[NH3+] ZINC000851669892 588614268 /nfs/dbraw/zinc/61/42/68/588614268.db2.gz WNUIPASXLDLTDJ-JTQLQIEISA-N 2 0 230.356 0.413 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)N(C)CC[NH2+]C)C1 ZINC000851676745 588614594 /nfs/dbraw/zinc/61/45/94/588614594.db2.gz MHHJNKSVJAMIOA-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP CC1(C)OC[C@H](CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)O1 ZINC000851732059 588619427 /nfs/dbraw/zinc/61/94/27/588619427.db2.gz IJIOPNDIZDYLJZ-SRVKXCTJSA-N 2 0 240.347 0.679 20 0 BCADRP CC1(C)OC[C@@H](CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000851732058 588619525 /nfs/dbraw/zinc/61/95/25/588619525.db2.gz IJIOPNDIZDYLJZ-GRYCIOLGSA-N 2 0 240.347 0.679 20 0 BCADRP COC(=O)[C@]1(F)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000852729276 588698441 /nfs/dbraw/zinc/69/84/41/588698441.db2.gz CITRPIIIYSJFGJ-LBPRGKRZSA-N 2 0 244.310 0.573 20 0 BCADRP COC(=O)[C@@]1(F)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000852729275 588698543 /nfs/dbraw/zinc/69/85/43/588698543.db2.gz CITRPIIIYSJFGJ-GFCCVEGCSA-N 2 0 244.310 0.573 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCOC(F)F)C1 ZINC000852747016 588699195 /nfs/dbraw/zinc/69/91/95/588699195.db2.gz UNOWJWFYPBZYFW-JGVFFNPUSA-N 2 0 208.252 0.895 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)NC[C@@H]1CCC[NH2+]C1 ZINC000852794022 588703125 /nfs/dbraw/zinc/70/31/25/588703125.db2.gz KIGLMRJZWKFHJH-GFCCVEGCSA-N 2 0 237.347 0.412 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)NC[C@H]1CCC[NH2+]1 ZINC000852794782 588703289 /nfs/dbraw/zinc/70/32/89/588703289.db2.gz CRPQWFSKKCPBCG-LLVKDONJSA-N 2 0 223.320 0.164 20 0 BCADRP [NH3+]CCOc1cccc(NC(=O)CC2([NH3+])CC2)c1 ZINC000852796742 588703451 /nfs/dbraw/zinc/70/34/51/588703451.db2.gz WZCSKALCHQNLTQ-UHFFFAOYSA-N 2 0 249.314 0.844 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C=C1CC[NH2+]CC1 ZINC000852798466 588703620 /nfs/dbraw/zinc/70/36/20/588703620.db2.gz LCRLAACRFLGRFK-UHFFFAOYSA-N 2 0 239.363 0.930 20 0 BCADRP C[C@H]1CN(C(=O)C=C2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000852797489 588703661 /nfs/dbraw/zinc/70/36/61/588703661.db2.gz UISUNSSAKPFWBI-QWRGUYRKSA-N 2 0 237.347 0.505 20 0 BCADRP CN(C(=O)CC1([NH3+])CC1)C1CCC([NH3+])CC1 ZINC000852798036 588703757 /nfs/dbraw/zinc/70/37/57/588703757.db2.gz DTKCSQCEDUJSIE-UHFFFAOYSA-N 2 0 225.336 0.596 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C=C1CC[NH2+]CC1 ZINC000852797818 588703797 /nfs/dbraw/zinc/70/37/97/588703797.db2.gz BUKGPTNKQRSUMC-LBPRGKRZSA-N 2 0 239.363 0.930 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C=C1CC[NH2+]CC1 ZINC000852798577 588703832 /nfs/dbraw/zinc/70/38/32/588703832.db2.gz LVLCSQSEYNRWTM-NSHDSACASA-N 2 0 225.336 0.396 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C=C1CC[NH2+]CC1 ZINC000852797732 588703887 /nfs/dbraw/zinc/70/38/87/588703887.db2.gz AHQFOGMEHBXTNW-CYBMUJFWSA-N 2 0 239.363 0.786 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N(C)CC(C)(C)[NH3+] ZINC000852842537 588705912 /nfs/dbraw/zinc/70/59/12/588705912.db2.gz XQWOVEVMHXPRTK-QMMMGPOBSA-N 2 0 213.325 0.323 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CC23CCCC3)C1 ZINC000852826565 588705991 /nfs/dbraw/zinc/70/59/91/588705991.db2.gz UWOJTMXUJUOQBS-MNOVXSKESA-N 2 0 237.347 0.468 20 0 BCADRP O=C([C@H]1[NH2+]CC12CCCC2)N1CCC[NH2+]CC1 ZINC000852826755 588706032 /nfs/dbraw/zinc/70/60/32/588706032.db2.gz XOIAEOLMSXAZHX-LLVKDONJSA-N 2 0 237.347 0.341 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]1)[C@H]1[NH2+]CC12CCCC2 ZINC000852825150 588706061 /nfs/dbraw/zinc/70/60/61/588706061.db2.gz LAEJAXIMPUQZDT-GHMZBOCLSA-N 2 0 237.347 0.387 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CC12CCCC2 ZINC000852825358 588706140 /nfs/dbraw/zinc/70/61/40/588706140.db2.gz OZCPCBMORMTXEJ-MNOVXSKESA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852834705 588706814 /nfs/dbraw/zinc/70/68/14/588706814.db2.gz XKAZTQKCHJIGGV-PWSUYJOCSA-N 2 0 225.336 0.339 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000852834706 588706919 /nfs/dbraw/zinc/70/69/19/588706919.db2.gz XKAZTQKCHJIGGV-ZYHUDNBSSA-N 2 0 225.336 0.339 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000852844214 588707589 /nfs/dbraw/zinc/70/75/89/588707589.db2.gz ACEHSYUWPIMVKC-AEJSXWLSSA-N 2 0 225.336 0.323 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C[C@H]([NH3+])C1CC1 ZINC000852842515 588707706 /nfs/dbraw/zinc/70/77/06/588707706.db2.gz XDJJRJYRDNQTHK-VIFPVBQESA-N 2 0 213.325 0.310 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCC1([NH3+])CCCC1 ZINC000852851841 588708268 /nfs/dbraw/zinc/70/82/68/588708268.db2.gz JTYVYJATHUEAEX-VIFPVBQESA-N 2 0 225.336 0.515 20 0 BCADRP [NH3+][C@@H](CC(=O)NCC1([NH3+])CCCC1)C1CC1 ZINC000852851764 588708291 /nfs/dbraw/zinc/70/82/91/588708291.db2.gz IJPUVBOESXMUOG-JTQLQIEISA-N 2 0 225.336 0.502 20 0 BCADRP CC[NH+](CC)CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852856094 588708637 /nfs/dbraw/zinc/70/86/37/588708637.db2.gz MARDRUOKEPSULB-UHFFFAOYSA-N 2 0 239.363 0.754 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000852863701 588709070 /nfs/dbraw/zinc/70/90/70/588709070.db2.gz QYHZYNMBHINLNG-SCVCMEIPSA-N 2 0 243.326 0.274 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C=C1CC[NH2+]CC1 ZINC000852863075 588709090 /nfs/dbraw/zinc/70/90/90/588709090.db2.gz PTHCFEDLCSGAQG-NSHDSACASA-N 2 0 239.363 0.753 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852861817 588709257 /nfs/dbraw/zinc/70/92/57/588709257.db2.gz KJCRIWHHKKQERR-LBPRGKRZSA-N 2 0 237.347 0.507 20 0 BCADRP CC[N@H+](CCNC(=O)CC1([NH3+])CC1)C(C)C ZINC000852864930 588709437 /nfs/dbraw/zinc/70/94/37/588709437.db2.gz MLVRDDUWFPCCJO-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852874475 588709783 /nfs/dbraw/zinc/70/97/83/588709783.db2.gz MHOWZYQQFKSCSF-CMPLNLGQSA-N 2 0 237.347 0.492 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000852878819 588710664 /nfs/dbraw/zinc/71/06/64/588710664.db2.gz PRYQMFPNXLYXMK-GFCCVEGCSA-N 2 0 237.347 0.555 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000852879301 588710821 /nfs/dbraw/zinc/71/08/21/588710821.db2.gz USRDUXUXWXKKJK-LBPRGKRZSA-N 2 0 237.347 0.470 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000852880014 588710953 /nfs/dbraw/zinc/71/09/53/588710953.db2.gz ZIGBYTPQDFXHKZ-VIFPVBQESA-N 2 0 233.315 0.409 20 0 BCADRP C[C@@H](NC(=O)C=C1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000852881775 588711002 /nfs/dbraw/zinc/71/10/02/588711002.db2.gz PQWFIHBMYUMTHS-DTWKUNHWSA-N 2 0 211.309 0.148 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N1CCC2(CC[NH2+]2)CC1 ZINC000852892724 588711791 /nfs/dbraw/zinc/71/17/91/588711791.db2.gz JNSVBOYZYKUSFJ-UHFFFAOYSA-N 2 0 249.358 0.651 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852896587 588712145 /nfs/dbraw/zinc/71/21/45/588712145.db2.gz FJGIDZMARNJJLG-CMPLNLGQSA-N 2 0 237.347 0.634 20 0 BCADRP CC[NH2+]CC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000852909787 588712810 /nfs/dbraw/zinc/71/28/10/588712810.db2.gz ADAPMMWITRUKIX-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC000852921614 588713341 /nfs/dbraw/zinc/71/33/41/588713341.db2.gz OXDXMQAJOKHUIF-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C=C1CC[NH2+]CC1 ZINC000852924434 588713607 /nfs/dbraw/zinc/71/36/07/588713607.db2.gz PESYREGVRXIJQC-VIFPVBQESA-N 2 0 211.309 0.020 20 0 BCADRP CC[NH+]1CCC(NC(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861548620 589167600 /nfs/dbraw/zinc/16/76/00/589167600.db2.gz STBQOPZZUYBXEY-JTQLQIEISA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000861568337 589167680 /nfs/dbraw/zinc/16/76/80/589167680.db2.gz ZZYXLGYGPGYWCM-UWVGGRQHSA-N 2 0 230.356 0.315 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)NC1CC[NH+](C)CC1 ZINC000861548212 589167827 /nfs/dbraw/zinc/16/78/27/589167827.db2.gz ODHRGQCZDLNJME-SECBINFHSA-N 2 0 228.340 0.069 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861574885 589168981 /nfs/dbraw/zinc/16/89/81/589168981.db2.gz AHRPWGQPPVSZKG-LLVKDONJSA-N 2 0 244.383 0.707 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000861591902 589169515 /nfs/dbraw/zinc/16/95/15/589169515.db2.gz BYIHQLLKWXGAEH-HBNTYKKESA-N 2 0 242.367 0.458 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000861591897 589169530 /nfs/dbraw/zinc/16/95/30/589169530.db2.gz BYIHQLLKWXGAEH-AXFHLTTASA-N 2 0 242.367 0.458 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861641433 589172115 /nfs/dbraw/zinc/17/21/15/589172115.db2.gz SDWBQRUHDFQITI-UWVGGRQHSA-N 2 0 230.356 0.493 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861640837 589172124 /nfs/dbraw/zinc/17/21/24/589172124.db2.gz OZJCGFIGUIYDRS-VHSXEESVSA-N 2 0 230.356 0.348 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000861640413 589172161 /nfs/dbraw/zinc/17/21/61/589172161.db2.gz CRHJMVVQLCTUES-CMPLNLGQSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000861642590 589172556 /nfs/dbraw/zinc/17/25/56/589172556.db2.gz BPFABNFKCRKBBZ-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000861643726 589172580 /nfs/dbraw/zinc/17/25/80/589172580.db2.gz ZDFOMQSKTPZKFX-LPEHRKFASA-N 2 0 228.340 0.116 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)NCCC1=CC[NH2+]CC1 ZINC000861643303 589172632 /nfs/dbraw/zinc/17/26/32/589172632.db2.gz COQFLFYSBWMENK-JTQLQIEISA-N 2 0 240.351 0.285 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000861646604 589173010 /nfs/dbraw/zinc/17/30/10/589173010.db2.gz WEQIBMMJCHIGLZ-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCC[C@H](C)[NH3+] ZINC000861655241 589173426 /nfs/dbraw/zinc/17/34/26/589173426.db2.gz IHDRAXUHSFSDJC-WDEREUQCSA-N 2 0 242.367 0.363 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000861689614 589174334 /nfs/dbraw/zinc/17/43/34/589174334.db2.gz DMTNBFCQXRPLBO-AEJSXWLSSA-N 2 0 228.340 0.116 20 0 BCADRP CON(C)C(=O)[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000863548728 589296045 /nfs/dbraw/zinc/29/60/45/589296045.db2.gz SFWROYKMMLHEHL-WHXUTIOJSA-N 2 0 243.351 0.502 20 0 BCADRP O=CN1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000863541368 589297334 /nfs/dbraw/zinc/29/73/34/589297334.db2.gz HUVPZRTZOKAOCJ-LBPRGKRZSA-N 2 0 237.347 0.481 20 0 BCADRP CC(C)OC(=O)CCN(C)C[C@@H](C)[NH3+] ZINC000863567753 589300328 /nfs/dbraw/zinc/30/03/28/589300328.db2.gz GPJAPTLQGZKYPT-SECBINFHSA-N 2 0 202.298 0.607 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC000863972448 589330832 /nfs/dbraw/zinc/33/08/32/589330832.db2.gz DWRRVIQHROLUEH-YFKTTZPYSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000863972754 589330849 /nfs/dbraw/zinc/33/08/49/589330849.db2.gz OXWJRTVJAHZLMM-KKOKHZNYSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]1C[C@@H]1NC(=[NH2+])NCC[NH+]1CCCC1 ZINC000864450248 589364162 /nfs/dbraw/zinc/36/41/62/589364162.db2.gz IOFLRNUZVCKROF-UWVGGRQHSA-N 2 0 210.325 0.605 20 0 BCADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCCCC[NH+](C)C ZINC000864452951 589365563 /nfs/dbraw/zinc/36/55/63/589365563.db2.gz QYVUMKIBYGBRQA-NXEZZACHSA-N 2 0 212.341 0.851 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864453466 589365626 /nfs/dbraw/zinc/36/56/26/589365626.db2.gz WMVZFYZQRVTHGQ-NSHDSACASA-N 2 0 224.352 0.852 20 0 BCADRP C[C@@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)[N@H+](C)C1CC1 ZINC000864457390 589367384 /nfs/dbraw/zinc/36/73/84/589367384.db2.gz SCPURTPGBXFWBD-YWVKMMECSA-N 2 0 224.352 0.991 20 0 BCADRP [NH3+]C[C@H]1CCC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000866659490 589508050 /nfs/dbraw/zinc/50/80/50/589508050.db2.gz MNCCQHIUQCEIHX-MNOVXSKESA-N 2 0 235.335 0.436 20 0 BCADRP NC(=O)c1ccc(CC[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000866659730 589508199 /nfs/dbraw/zinc/50/81/99/589508199.db2.gz SRHQIISFNQYQRD-GFCCVEGCSA-N 2 0 247.342 0.609 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866719783 589515051 /nfs/dbraw/zinc/51/50/51/589515051.db2.gz DEGOPIXKROUBOT-GRYCIOLGSA-N 2 0 209.337 0.422 20 0 BCADRP C(CN1CCC[C@@H]2[NH2+]CC[C@H]21)[C@@H]1CC[NH2+]C1 ZINC000866723969 589515644 /nfs/dbraw/zinc/51/56/44/589515644.db2.gz KLTKMMORSBSOTD-RWMBFGLXSA-N 2 0 223.364 0.812 20 0 BCADRP CC[NH2+]CC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000868005024 589543843 /nfs/dbraw/zinc/54/38/43/589543843.db2.gz GGEAAXDJKXGXQS-SECBINFHSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)C1CC[NH2+]CC1 ZINC000868005583 589543870 /nfs/dbraw/zinc/54/38/70/589543870.db2.gz RCBGRGCOLHSCCS-SCVCMEIPSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000868006888 589544024 /nfs/dbraw/zinc/54/40/24/589544024.db2.gz ZIQIYMIEUVRTIT-ZWNOBZJWSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@H](O)C1 ZINC000207704899 589593324 /nfs/dbraw/zinc/59/33/24/589593324.db2.gz OSOTXRIKYHGDCD-LLVKDONJSA-N 2 0 200.326 0.962 20 0 BCADRP [NH3+]CCCCCC[N@@H+]1CCC[C@H](O)C1 ZINC000207704854 589593343 /nfs/dbraw/zinc/59/33/43/589593343.db2.gz OSOTXRIKYHGDCD-NSHDSACASA-N 2 0 200.326 0.962 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870861043 589691972 /nfs/dbraw/zinc/69/19/72/589691972.db2.gz ZTQNOYLVDJYEKO-TXEJJXNPSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870878258 589693610 /nfs/dbraw/zinc/69/36/10/589693610.db2.gz FMPLEPWAGZJQFT-TXEJJXNPSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)CC[NH2+]CC1CC1 ZINC000870891880 589695221 /nfs/dbraw/zinc/69/52/21/589695221.db2.gz KUHIEPBPYTYFMS-UHFFFAOYSA-N 2 0 241.379 0.880 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870912407 589696420 /nfs/dbraw/zinc/69/64/20/589696420.db2.gz FWOBVXZMLSNFFR-WHOHXGKFSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870912406 589696465 /nfs/dbraw/zinc/69/64/65/589696465.db2.gz FWOBVXZMLSNFFR-USZNOCQGSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000870914293 589696667 /nfs/dbraw/zinc/69/66/67/589696667.db2.gz MKDAQRDQMDEQJV-BYNIDDHOSA-N 2 0 249.358 0.324 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)CC[NH2+]CC1CC1)C(F)F ZINC000870944539 589697068 /nfs/dbraw/zinc/69/70/68/589697068.db2.gz IITSHAOLCMJGSJ-SECBINFHSA-N 2 0 249.305 0.475 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870931362 589697648 /nfs/dbraw/zinc/69/76/48/589697648.db2.gz UAYVEAQYOTUOSL-QWKFWESOSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)CC[NH2+]CC1CC1 ZINC000870933975 589697938 /nfs/dbraw/zinc/69/79/38/589697938.db2.gz BUCYZMYDKYWCLE-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)CC[NH2+]CC1CC1 ZINC000870934244 589698080 /nfs/dbraw/zinc/69/80/80/589698080.db2.gz ICUCFVFAKBKDAE-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000870934056 589698141 /nfs/dbraw/zinc/69/81/41/589698141.db2.gz DJEYNGYZCZDRHR-SBFPOUOMSA-N 2 0 237.347 0.372 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000870935123 589698329 /nfs/dbraw/zinc/69/83/29/589698329.db2.gz KGHIMBDRACYFPA-LSCVPOLPSA-N 2 0 237.347 0.230 20 0 BCADRP CC[NH2+]CCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870936039 589698334 /nfs/dbraw/zinc/69/83/34/589698334.db2.gz XXUPOJKTOSAHRE-UHFFFAOYSA-N 2 0 225.336 0.244 20 0 BCADRP O=C(CCC12CC(C1)C[NH2+]2)NC[C@H]1CCC[NH2+]1 ZINC000870934853 589698464 /nfs/dbraw/zinc/69/84/64/589698464.db2.gz GSNVQETVQGQAPD-QWKFWESOSA-N 2 0 237.347 0.387 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870937091 589698725 /nfs/dbraw/zinc/69/87/25/589698725.db2.gz TVRWGQYRZTVUTP-UTUOFQBUSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870936954 589698987 /nfs/dbraw/zinc/69/89/87/589698987.db2.gz QUGFPAFZUYOFIN-GMTAPVOTSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870936953 589699001 /nfs/dbraw/zinc/69/90/01/589699001.db2.gz QUGFPAFZUYOFIN-DCAQKATOSA-N 2 0 227.352 0.603 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000870939864 589699181 /nfs/dbraw/zinc/69/91/81/589699181.db2.gz DYQNUHBCNYEPMH-SBFPOUOMSA-N 2 0 237.347 0.372 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870939311 589699242 /nfs/dbraw/zinc/69/92/42/589699242.db2.gz PWGGJUQUBBBTQF-GRZMOONWSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+][C@@H](CNC(=O)CCC12CC(C1)C[NH2+]2)C1CC1 ZINC000870938623 589699347 /nfs/dbraw/zinc/69/93/47/589699347.db2.gz BAJIAEWKYMKCMT-QDYJBQRPSA-N 2 0 237.347 0.372 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870940285 589699352 /nfs/dbraw/zinc/69/93/52/589699352.db2.gz HPLBSICUCPSRKA-IRCOFANPSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000870941406 589699715 /nfs/dbraw/zinc/69/97/15/589699715.db2.gz XGSUPBCQKBXQDB-ZYHUDNBSSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870942420 589699730 /nfs/dbraw/zinc/69/97/30/589699730.db2.gz NEESUTHDMDOGCC-BJDJZHNGSA-N 2 0 239.363 0.761 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000870941599 589699783 /nfs/dbraw/zinc/69/97/83/589699783.db2.gz ZJJVLCZIOSRLSN-BJDJZHNGSA-N 2 0 239.363 0.890 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)CC[NH2+]CC2CC2)C1 ZINC000870945417 589700267 /nfs/dbraw/zinc/70/02/67/589700267.db2.gz TUNMEEJBHWQEGE-VXGBXAGGSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870946926 589700299 /nfs/dbraw/zinc/70/02/99/589700299.db2.gz LUYOBCKNRUZECV-ZYUZMQFOSA-N 2 0 213.325 0.356 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870947193 589700472 /nfs/dbraw/zinc/70/04/72/589700472.db2.gz OWVPOOMULKNTEE-LPEHRKFASA-N 2 0 213.325 0.357 20 0 BCADRP CN(C(=O)CC[NH2+]CC1CC1)[C@@H](C[NH3+])C1CC1 ZINC000870947334 589700809 /nfs/dbraw/zinc/70/08/09/589700809.db2.gz ZNLNIVWNWFFRCK-LBPRGKRZSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[NH+](C)C ZINC000870953096 589701152 /nfs/dbraw/zinc/70/11/52/589701152.db2.gz JZSABCDIADRCIE-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870954748 589701276 /nfs/dbraw/zinc/70/12/76/589701276.db2.gz ITUBDVRXMLEOQC-VOZVASTJSA-N 2 0 237.347 0.454 20 0 BCADRP O=C(CC[NH2+]CC1CC1)NCC12CC(C1)C[NH2+]2 ZINC000870956725 589701606 /nfs/dbraw/zinc/70/16/06/589701606.db2.gz GBRGOFDRPHHSQI-UHFFFAOYSA-N 2 0 237.347 0.244 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000870963968 589701914 /nfs/dbraw/zinc/70/19/14/589701914.db2.gz VPOWOTUNOOAVON-IELRGYKMSA-N 2 0 237.347 0.371 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000870965272 589702342 /nfs/dbraw/zinc/70/23/42/589702342.db2.gz NKRRDYLSMMUZTD-DTORHVGOSA-N 2 0 211.309 0.111 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000870971994 589703571 /nfs/dbraw/zinc/70/35/71/589703571.db2.gz MZUMMMHJNRVBEG-GMZHKTEUSA-N 2 0 245.326 0.757 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972131 589703794 /nfs/dbraw/zinc/70/37/94/589703794.db2.gz TUJRKVDKHBXVEY-NQBHXWOUSA-N 2 0 247.342 0.848 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870972588 589703810 /nfs/dbraw/zinc/70/38/10/589703810.db2.gz MNVBHYRVJRTHMH-VCKVWKELSA-N 2 0 237.347 0.372 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972130 589703815 /nfs/dbraw/zinc/70/38/15/589703815.db2.gz TUJRKVDKHBXVEY-GVXVVHGQSA-N 2 0 247.342 0.848 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000870972805 589703946 /nfs/dbraw/zinc/70/39/46/589703946.db2.gz VPOWOTUNOOAVON-VGDYDELISA-N 2 0 237.347 0.371 20 0 BCADRP C[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C)[NH3+] ZINC000870973779 589703954 /nfs/dbraw/zinc/70/39/54/589703954.db2.gz FSZDQIIKBDWYHD-CSYMLDBXSA-N 2 0 239.363 0.617 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974679 589704108 /nfs/dbraw/zinc/70/41/08/589704108.db2.gz OLTVCUJTJDZKKC-MMWGEVLESA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H](NC(=O)CC(C)(C)[NH3+])C1CC[NH2+]CC1 ZINC000870984056 589704130 /nfs/dbraw/zinc/70/41/30/589704130.db2.gz HXEPCVNGKWWXJC-SECBINFHSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974604 589704264 /nfs/dbraw/zinc/70/42/64/589704264.db2.gz NJFDIXAGMJOHSW-WISYIIOYSA-N 2 0 239.363 0.489 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH3+])CC[C@H]21 ZINC000870981050 589704492 /nfs/dbraw/zinc/70/44/92/589704492.db2.gz FMFDSKMOAGJPCI-GHMZBOCLSA-N 2 0 225.336 0.278 20 0 BCADRP O=C(C[NH2+]C1CC1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870977450 589704790 /nfs/dbraw/zinc/70/47/90/589704790.db2.gz GLJGSKPPTPPISC-YHPBZONMSA-N 2 0 237.347 0.385 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)CC[C@@H]21 ZINC000870982764 589705242 /nfs/dbraw/zinc/70/52/42/589705242.db2.gz PEGXUAWKFUXPFX-WOPDTQHZSA-N 2 0 237.347 0.291 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870983276 589705247 /nfs/dbraw/zinc/70/52/47/589705247.db2.gz URCQBMKJBQECQS-QJPTWQEYSA-N 2 0 239.363 0.395 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)C[NH2+]C3CC3)CC[C@@H]21 ZINC000870982258 589705305 /nfs/dbraw/zinc/70/53/05/589705305.db2.gz MDIJDXXCWBHZIH-JQWIXIFHSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@@H](NC(=O)[C@@]1(F)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000870983788 589705434 /nfs/dbraw/zinc/70/54/34/589705434.db2.gz APPTWGVIMFDSHY-BXKDBHETSA-N 2 0 243.326 0.192 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870987032 589705996 /nfs/dbraw/zinc/70/59/96/589705996.db2.gz FQXKDLOUYLVATB-VHSXEESVSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870987031 589706255 /nfs/dbraw/zinc/70/62/55/589706255.db2.gz FQXKDLOUYLVATB-UWVGGRQHSA-N 2 0 239.363 0.631 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870986540 589706319 /nfs/dbraw/zinc/70/63/19/589706319.db2.gz KZGCNKIZJAVCIS-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CC[NH3+])C1 ZINC000870993782 589707468 /nfs/dbraw/zinc/70/74/68/589707468.db2.gz MIWFHMRQDJPWQV-GFCCVEGCSA-N 2 0 227.352 0.559 20 0 BCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CCC[NH3+])C1 ZINC000870993753 589707757 /nfs/dbraw/zinc/70/77/57/589707757.db2.gz LZKKIXCHDOCOGV-ZDUSSCGKSA-N 2 0 241.379 0.949 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N(C)CCOC ZINC000871603153 589773436 /nfs/dbraw/zinc/77/34/36/589773436.db2.gz HHCKDWINQFIKHZ-LLVKDONJSA-N 2 0 242.367 0.573 20 0 BCADRP COCCN(C)C(=[NH2+])NC[C@H](C)[NH+]1CCCC1 ZINC000871603207 589773484 /nfs/dbraw/zinc/77/34/84/589773484.db2.gz JFUWCKBMUWVSGR-NSHDSACASA-N 2 0 242.367 0.573 20 0 BCADRP COCCN(C)C(=[NH2+])NCC[NH+]1CCCCC1 ZINC000871603062 589773561 /nfs/dbraw/zinc/77/35/61/589773561.db2.gz DIXCAGQQWFYPFW-UHFFFAOYSA-N 2 0 242.367 0.575 20 0 BCADRP COCCN(C)C(=[NH2+])NCCC[NH2+]C(C)(C)C ZINC000871603771 589774179 /nfs/dbraw/zinc/77/41/79/589774179.db2.gz GWKGUTYYBKCBMG-UHFFFAOYSA-N 2 0 244.383 0.867 20 0 BCADRP CC[NH+](CC)CCC[NH2+]C[C@@H](O)CC(C)(C)O ZINC000871966143 589848342 /nfs/dbraw/zinc/84/83/42/589848342.db2.gz XKCXKCFEUONRDD-LBPRGKRZSA-N 2 0 246.395 0.830 20 0 BCADRP OCC1(CO)CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000872145954 589883775 /nfs/dbraw/zinc/88/37/75/589883775.db2.gz AEXFBCCGYXRDTI-LBPRGKRZSA-N 2 0 242.363 0.053 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153870 589884736 /nfs/dbraw/zinc/88/47/36/589884736.db2.gz LDPMMTOSXROELP-WCQYABFASA-N 2 0 239.363 0.396 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000872148859 589884891 /nfs/dbraw/zinc/88/48/91/589884891.db2.gz IKBUGRHTIXXMEG-QWHCGFSZSA-N 3 0 223.364 0.527 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000872153639 589885049 /nfs/dbraw/zinc/88/50/49/589885049.db2.gz FNRNIUVCAJDIJV-FRRDWIJNSA-N 3 0 223.364 0.527 20 0 BCADRP [NH3+]CCN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872151921 589885521 /nfs/dbraw/zinc/88/55/21/589885521.db2.gz NMOPKTHVLQAZMX-BQBZGAKWSA-N 2 0 211.231 0.014 20 0 BCADRP Cn1nnnc1CC[N@H+](C)CCCCCC[NH3+] ZINC000872155961 589886548 /nfs/dbraw/zinc/88/65/48/589886548.db2.gz BMEVEXWBLDBGNJ-UHFFFAOYSA-N 2 0 240.355 0.204 20 0 BCADRP CC(C)[NH+]1CCC(CC[NH2+]CCC(N)=O)CC1 ZINC000872223377 589896510 /nfs/dbraw/zinc/89/65/10/589896510.db2.gz QBYWXMQJPVQPTF-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872258021 589901139 /nfs/dbraw/zinc/90/11/39/589901139.db2.gz QAEYVDCFPQXWPV-NRUUGDAUSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872288510 589906246 /nfs/dbraw/zinc/90/62/46/589906246.db2.gz MUYLHURHHDPRIA-YHMTXAQFSA-N 2 0 237.347 0.323 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000872290283 589906572 /nfs/dbraw/zinc/90/65/72/589906572.db2.gz LBYBRYLSBHPCRF-GFCCVEGCSA-N 2 0 243.326 0.289 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[C@H](C)[NH3+] ZINC000872293504 589907271 /nfs/dbraw/zinc/90/72/71/589907271.db2.gz XBOIMCHNZFAIOS-ZDCRXTMVSA-N 2 0 227.352 0.746 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[NH2+]CCC1(C)C ZINC000872297612 589907688 /nfs/dbraw/zinc/90/76/88/589907688.db2.gz SCCYJQWHAZQLGZ-SNVBAGLBSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CC[NH2+]CCC1(C)C ZINC000872298892 589907924 /nfs/dbraw/zinc/90/79/24/589907924.db2.gz VWBRJNZJZASZHH-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872299606 589908313 /nfs/dbraw/zinc/90/83/13/589908313.db2.gz NEPWRIYMGUTHAE-QYTUQVAYSA-N 2 0 239.363 0.603 20 0 BCADRP Nc1cnc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000873210660 589995054 /nfs/dbraw/zinc/99/50/54/589995054.db2.gz NSDBYPFCARFRKI-UHFFFAOYSA-N 2 0 247.346 0.634 20 0 BCADRP C(N1CC[C@]2(C1)CCC[NH2+]C2)C12CC(C1)C[NH2+]2 ZINC000873209055 589995534 /nfs/dbraw/zinc/99/55/34/589995534.db2.gz IAQMMBRQVPFFNQ-ROKHWSDSSA-N 2 0 235.375 0.814 20 0 BCADRP Nc1cnc(C[NH2+]CC[C@H]2CC[NH2+]C2)cn1 ZINC000873211092 589995753 /nfs/dbraw/zinc/99/57/53/589995753.db2.gz VBDHGIMHNBQOQK-SECBINFHSA-N 2 0 221.308 0.148 20 0 BCADRP [NH3+]CC1(CN[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000873212496 589995837 /nfs/dbraw/zinc/99/58/37/589995837.db2.gz MLBLVJNUXFGGMF-MRVPVSSYSA-N 2 0 219.279 0.312 20 0 BCADRP Nc1cnc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cn1 ZINC000873211093 589995949 /nfs/dbraw/zinc/99/59/49/589995949.db2.gz VBDHGIMHNBQOQK-VIFPVBQESA-N 2 0 221.308 0.148 20 0 BCADRP C[C@@H](C[NH3+])NCc1cc2c(s1)CC[NH2+]C2 ZINC000873211856 589996444 /nfs/dbraw/zinc/99/64/44/589996444.db2.gz FKFBQSWCIDHRCW-QMMMGPOBSA-N 2 0 225.361 0.831 20 0 BCADRP Nc1cnc(CNCC2([NH3+])CCCC2)cn1 ZINC000873213965 589996967 /nfs/dbraw/zinc/99/69/67/589996967.db2.gz SQSPEUHRCXUAIV-UHFFFAOYSA-N 2 0 221.308 0.420 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000873212646 589996979 /nfs/dbraw/zinc/99/69/79/589996979.db2.gz OBDRDTQVAJIBHL-HGVNPNRVSA-N 3 0 235.375 0.844 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NCc1cnc(N)cn1 ZINC000873214034 589997359 /nfs/dbraw/zinc/99/73/59/589997359.db2.gz VLEUUUWIBDPPPE-HTQZYQBOSA-N 2 0 209.297 0.274 20 0 BCADRP Nc1cnc(CN[C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC000873213643 589997585 /nfs/dbraw/zinc/99/75/85/589997585.db2.gz KNKUYSQBZFQPOU-NXEZZACHSA-N 2 0 221.308 0.418 20 0 BCADRP C[C@]1(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)CC[NH2+]C1 ZINC000873217350 589997866 /nfs/dbraw/zinc/99/78/66/589997866.db2.gz JXCQXKMWVOLZKX-QQKNPXLJSA-N 2 0 236.359 0.999 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(CC34CC(C3)C[NH2+]4)CC[C@H]21 ZINC000873221845 589999458 /nfs/dbraw/zinc/99/94/58/589999458.db2.gz RNEAODFPDDCLAS-CEUNDQEZSA-N 2 0 235.375 0.764 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(Cc3cnc(N)cn3)CC[C@H]21 ZINC000873221614 589999971 /nfs/dbraw/zinc/99/99/71/589999971.db2.gz LQIFCXUPFLMOKK-ZYHUDNBSSA-N 2 0 247.346 0.585 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873229402 590002212 /nfs/dbraw/zinc/00/22/12/590002212.db2.gz WRRLTSHFNURBML-YNEHKIRRSA-N 2 0 225.380 0.901 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000873248688 590007533 /nfs/dbraw/zinc/00/75/33/590007533.db2.gz DOJLAMDPNRNJCK-WYUUTHIRSA-N 3 0 211.353 0.844 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000873251209 590007927 /nfs/dbraw/zinc/00/79/27/590007927.db2.gz KGLJNMWLYHXWJE-XQHKEYJVSA-N 3 0 223.364 0.940 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873250897 590008347 /nfs/dbraw/zinc/00/83/47/590008347.db2.gz RJMRALJIXPPOII-WYUUTHIRSA-N 3 0 211.353 0.701 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000873251514 590009043 /nfs/dbraw/zinc/00/90/43/590009043.db2.gz WFONOBXHRFNDRL-NAWOPXAZSA-N 3 0 223.364 0.701 20 0 BCADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CN1C1CC1 ZINC000873253973 590009478 /nfs/dbraw/zinc/00/94/78/590009478.db2.gz IHOWCSVJMMMFAC-YFKTTZPYSA-N 2 0 223.364 0.939 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000873254811 590010029 /nfs/dbraw/zinc/01/00/29/590010029.db2.gz BEDGFMGGTHTRSE-DDHJBXDOSA-N 3 0 211.353 0.796 20 0 BCADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254431 590010265 /nfs/dbraw/zinc/01/02/65/590010265.db2.gz TVWPPJKUYZSHDC-DCQANWLSSA-N 2 0 223.364 0.796 20 0 BCADRP C[C@@H](C[C@H]1COCCN1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256262 590010904 /nfs/dbraw/zinc/01/09/04/590010904.db2.gz NJBFRJMLWBJZJZ-BJDJZHNGSA-N 2 0 227.352 0.080 20 0 BCADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257512 590012511 /nfs/dbraw/zinc/01/25/11/590012511.db2.gz TVWPPJKUYZSHDC-ZPFDUUQYSA-N 2 0 223.364 0.796 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1C[NH2+]C1 ZINC000873261720 590014425 /nfs/dbraw/zinc/01/44/25/590014425.db2.gz RBFHTKWWENWISM-VCDKRKBESA-N 3 0 223.364 0.715 20 0 BCADRP C[C@H]([NH2+][C@H]1CCC[C@H]1[NH3+])C1CC[NH2+]CC1 ZINC000873271149 590015899 /nfs/dbraw/zinc/01/58/99/590015899.db2.gz FFKIDKBPSUTFHG-WCQGTBRESA-N 3 0 211.353 0.844 20 0 BCADRP C[C@H]([NH2+][C@H]1CNCC[C@H]1C)C1CC[NH2+]CC1 ZINC000873272406 590016365 /nfs/dbraw/zinc/01/63/65/590016365.db2.gz RVEKBRDWAVUCFY-MDZLAQPJSA-N 2 0 225.380 0.962 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C[NH+]1CCCC1 ZINC000873814044 590071889 /nfs/dbraw/zinc/07/18/89/590071889.db2.gz DECGUIBKHWLDIK-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000874125469 590092928 /nfs/dbraw/zinc/09/29/28/590092928.db2.gz XUUGVTJMWBQIJC-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP CN(CC[NH+]1CCCC1)C(=O)C[NH+]1CCCC1 ZINC000874349655 590105232 /nfs/dbraw/zinc/10/52/32/590105232.db2.gz YJOHMCMTARZOJJ-UHFFFAOYSA-N 2 0 239.363 0.636 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000874446341 590111180 /nfs/dbraw/zinc/11/11/80/590111180.db2.gz HJASWWBNQUIFBY-UHFFFAOYSA-N 2 0 239.363 0.636 20 0 BCADRP CC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000020524041 590118668 /nfs/dbraw/zinc/11/86/68/590118668.db2.gz IFLFSRLSJVVZIM-WAAKLRNESA-N 2 0 212.337 0.972 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000876501944 590203162 /nfs/dbraw/zinc/20/31/62/590203162.db2.gz SAYUGQGNEAJWEM-VHSXEESVSA-N 2 0 225.336 0.310 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000876501409 590203397 /nfs/dbraw/zinc/20/33/97/590203397.db2.gz OMKAFFBGXUBFBS-RBVPNNQXSA-N 2 0 237.347 0.348 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000876503123 590203615 /nfs/dbraw/zinc/20/36/15/590203615.db2.gz ZNNXOPOTYGFLIS-VHSXEESVSA-N 2 0 225.336 0.228 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000876502731 590203652 /nfs/dbraw/zinc/20/36/52/590203652.db2.gz LUGITGYRNOPKOK-RXUHEVMZSA-N 2 0 237.347 0.266 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000876503837 590204142 /nfs/dbraw/zinc/20/41/42/590204142.db2.gz FIKWWAPDPSEGSA-BBBLOLIVSA-N 2 0 225.336 0.180 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000876505827 590204595 /nfs/dbraw/zinc/20/45/95/590204595.db2.gz KWHIIBIKJJFACT-LOWVWBTDSA-N 2 0 237.347 0.339 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000876508526 590204963 /nfs/dbraw/zinc/20/49/63/590204963.db2.gz OZLLPWQVYMHCJH-MNOVXSKESA-N 2 0 239.363 0.557 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000876507979 590204974 /nfs/dbraw/zinc/20/49/74/590204974.db2.gz RBEUYYUQGPTIEP-MNOVXSKESA-N 2 0 239.363 0.476 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876507968 590205112 /nfs/dbraw/zinc/20/51/12/590205112.db2.gz QVPVEWBZPNVXPS-RKDXNWHRSA-N 2 0 213.325 0.086 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876509700 590205119 /nfs/dbraw/zinc/20/51/19/590205119.db2.gz MUYWEUUEUWMVQG-VHSXEESVSA-N 2 0 231.315 0.050 20 0 BCADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000876508547 590205183 /nfs/dbraw/zinc/20/51/83/590205183.db2.gz PMCRLHIANDCWCB-YGABWQLJSA-N 2 0 237.347 0.410 20 0 BCADRP CC[NH2+]CCCNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876510825 590205718 /nfs/dbraw/zinc/20/57/18/590205718.db2.gz XLWKALYAHCSDOS-ZHRWSRJISA-N 2 0 239.363 0.658 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCC[NH2+]CC ZINC000876510728 590205721 /nfs/dbraw/zinc/20/57/21/590205721.db2.gz YZMPONBKENGJLP-JKNNBXRXSA-N 2 0 239.363 0.514 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000876513110 590206009 /nfs/dbraw/zinc/20/60/09/590206009.db2.gz HTJOZJKBFHHGNU-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000876514028 590206178 /nfs/dbraw/zinc/20/61/78/590206178.db2.gz SBEVVDPNAZRIGA-HBNTYKKESA-N 2 0 239.363 0.476 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000876515862 590206532 /nfs/dbraw/zinc/20/65/32/590206532.db2.gz ZCZUGERFVXNVED-GARJFASQSA-N 2 0 239.363 0.700 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)C1 ZINC000876517974 590206778 /nfs/dbraw/zinc/20/67/78/590206778.db2.gz IGLFCAQJUOMWDC-MXWKQRLJSA-N 2 0 243.326 0.144 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)C1 ZINC000876518764 590206853 /nfs/dbraw/zinc/20/68/53/590206853.db2.gz YSBXELMFMOZYBV-WGPFEIJOSA-N 2 0 237.347 0.349 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)C1 ZINC000876518763 590206926 /nfs/dbraw/zinc/20/69/26/590206926.db2.gz YSBXELMFMOZYBV-QSKOYVBTSA-N 2 0 237.347 0.349 20 0 BCADRP CC[NH2+]CCNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876521694 590207567 /nfs/dbraw/zinc/20/75/67/590207567.db2.gz UTVKJDASXWXNFV-GZTOBOFZSA-N 2 0 225.336 0.268 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876524895 590208678 /nfs/dbraw/zinc/20/86/78/590208678.db2.gz VSRYUUYGDWDSOE-QWRGUYRKSA-N 2 0 245.342 0.438 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876528945 590209726 /nfs/dbraw/zinc/20/97/26/590209726.db2.gz BRYWHANRTXOFDI-ZJUUUORDSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C1CC1 ZINC000876529047 590210004 /nfs/dbraw/zinc/21/00/04/590210004.db2.gz DBZLFQURPYRSCS-OYNCUSHFSA-N 2 0 247.289 0.070 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876531571 590210340 /nfs/dbraw/zinc/21/03/40/590210340.db2.gz JONXWIZLHABMMY-IWSPIJDZSA-N 2 0 213.325 0.165 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000876537645 590211444 /nfs/dbraw/zinc/21/14/44/590211444.db2.gz XLVDBIJNOMWBPV-IVZWLZJFSA-N 2 0 225.336 0.213 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876538556 590211650 /nfs/dbraw/zinc/21/16/50/590211650.db2.gz KLRNPOOSXPITBV-YUMQZZPRSA-N 2 0 213.325 0.213 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876538527 590211722 /nfs/dbraw/zinc/21/17/22/590211722.db2.gz SDQJFWFTDTWLGM-UWVGGRQHSA-N 2 0 243.326 0.144 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876539873 590212121 /nfs/dbraw/zinc/21/21/21/590212121.db2.gz APPMURDJQIYYOF-NXEZZACHSA-N 2 0 241.379 0.803 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876539801 590212134 /nfs/dbraw/zinc/21/21/34/590212134.db2.gz BUQYLAGVEUFSOO-OUAUKWLOSA-N 2 0 243.326 0.144 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876542643 590212552 /nfs/dbraw/zinc/21/25/52/590212552.db2.gz YOKBPXDWCSHBNV-VHSXEESVSA-N 2 0 245.342 0.377 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876707299 590232055 /nfs/dbraw/zinc/23/20/55/590232055.db2.gz AODAQJZPLNAOPN-ZJUUUORDSA-N 2 0 231.315 0.002 20 0 BCADRP C[NH+](C)CCCNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876707368 590232160 /nfs/dbraw/zinc/23/21/60/590232160.db2.gz DHPMJAWASSNOLI-DGMVEKRQSA-N 2 0 239.363 0.610 20 0 BCADRP C[NH+](C)CCCNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876707369 590232370 /nfs/dbraw/zinc/23/23/70/590232370.db2.gz DHPMJAWASSNOLI-NNNHXZLVSA-N 2 0 239.363 0.610 20 0 BCADRP O=C(NCC[NH+]1CCCC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876712532 590232738 /nfs/dbraw/zinc/23/27/38/590232738.db2.gz IQTYBIGAMJMRDU-GHMZBOCLSA-N 2 0 243.326 0.146 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876732608 590233950 /nfs/dbraw/zinc/23/39/50/590233950.db2.gz AWRGAOXEDCFLNT-VWYCJHECSA-N 2 0 239.363 0.570 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000876733821 590234184 /nfs/dbraw/zinc/23/41/84/590234184.db2.gz IKHMPZRHNKRLFN-GARJFASQSA-N 2 0 243.326 0.144 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000876733820 590234354 /nfs/dbraw/zinc/23/43/54/590234354.db2.gz IKHMPZRHNKRLFN-DCAQKATOSA-N 2 0 243.326 0.144 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876732606 590234451 /nfs/dbraw/zinc/23/44/51/590234451.db2.gz AWRGAOXEDCFLNT-MXWKQRLJSA-N 2 0 239.363 0.570 20 0 BCADRP C[N@H+](CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1)C1CC1 ZINC000876737455 590234778 /nfs/dbraw/zinc/23/47/78/590234778.db2.gz QWADFSUOYIZTLG-GXSJLCMTSA-N 2 0 243.326 0.144 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876740230 590235219 /nfs/dbraw/zinc/23/52/19/590235219.db2.gz RUDHVBLMWHZISM-GMTAPVOTSA-N 2 0 241.379 0.816 20 0 BCADRP CC[N@H+](CCNC(=O)CCC1C[NH2+]C1)C(C)C ZINC000876748888 590236815 /nfs/dbraw/zinc/23/68/15/590236815.db2.gz IXLPQZXDCHHADH-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP CC[N@H+](CCNC(=O)C1=CC[C@@H]([NH3+])C1)C(C)C ZINC000876748363 590236841 /nfs/dbraw/zinc/23/68/41/590236841.db2.gz CFWWBRSUVXSEHU-GFCCVEGCSA-N 2 0 239.363 0.880 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876789686 590239587 /nfs/dbraw/zinc/23/95/87/590239587.db2.gz GBWGLICJEYSOJD-ZJUUUORDSA-N 2 0 231.315 0.050 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)C1 ZINC000876784289 590240071 /nfs/dbraw/zinc/24/00/71/590240071.db2.gz DGHQAQBECSIQHT-CJOPTALJSA-N 2 0 223.320 0.102 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000876785550 590240544 /nfs/dbraw/zinc/24/05/44/590240544.db2.gz AYQAIVHTYCCCHB-BJPDOBEOSA-N 2 0 225.336 0.109 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876787706 590240809 /nfs/dbraw/zinc/24/08/09/590240809.db2.gz UJKKQCQNODBHKE-HRDYMLBCSA-N 2 0 213.325 0.071 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876786452 590240909 /nfs/dbraw/zinc/24/09/09/590240909.db2.gz HZPGHQRXHKDITE-WQMVXFAESA-N 2 0 225.336 0.253 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876787710 590241029 /nfs/dbraw/zinc/24/10/29/590241029.db2.gz UJKKQCQNODBHKE-VGMNWLOBSA-N 2 0 213.325 0.071 20 0 BCADRP C[NH2+]CCN(C)C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876791302 590241330 /nfs/dbraw/zinc/24/13/30/590241330.db2.gz CAFPCZMWMIYDJC-GZTOBOFZSA-N 2 0 225.336 0.220 20 0 BCADRP CN1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876789514 590241612 /nfs/dbraw/zinc/24/16/12/590241612.db2.gz CQSRBJVHJLPJPW-VHSXEESVSA-N 2 0 225.336 0.134 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000876798293 590242385 /nfs/dbraw/zinc/24/23/85/590242385.db2.gz FYDWWTPWNXOLNX-DTWKUNHWSA-N 2 0 225.336 0.357 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000876806289 590244967 /nfs/dbraw/zinc/24/49/67/590244967.db2.gz NAIXVVVTEZXDEX-TXEJJXNPSA-N 2 0 239.363 0.668 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH2+]CC2)C1(F)F ZINC000876823564 590246339 /nfs/dbraw/zinc/24/63/39/590246339.db2.gz LTMNXBWJUCXDPK-IWSPIJDZSA-N 2 0 247.289 0.085 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000876826226 590246411 /nfs/dbraw/zinc/24/64/11/590246411.db2.gz LFZJQQBIJGSWMU-GMTAPVOTSA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000876826233 590246581 /nfs/dbraw/zinc/24/65/81/590246581.db2.gz LMROLNDXDMLILL-BBBLOLIVSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)C1 ZINC000876829397 590246954 /nfs/dbraw/zinc/24/69/54/590246954.db2.gz SLOFRNAHEDBNMX-ZNSHCXBVSA-N 2 0 243.326 0.320 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)CC[NH2+]CC2CC2)[C@@H]1C ZINC000876831259 590247494 /nfs/dbraw/zinc/24/74/94/590247494.db2.gz FCQFOPAIGDPKQR-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000876831866 590247661 /nfs/dbraw/zinc/24/76/61/590247661.db2.gz CRPCKEDNKAGXTD-LOWVWBTDSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876836043 590248004 /nfs/dbraw/zinc/24/80/04/590248004.db2.gz KQYZGFCYKWFJFQ-UTLUCORTSA-N 2 0 231.315 0.048 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000876843736 590248895 /nfs/dbraw/zinc/24/88/95/590248895.db2.gz UGHYFLKVNKPULO-AAEUAGOBSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000876843711 590249043 /nfs/dbraw/zinc/24/90/43/590249043.db2.gz SWDSCMKAYJVQRL-GXTWGEPZSA-N 2 0 249.358 0.636 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[NH+](C)C ZINC000876849240 590249554 /nfs/dbraw/zinc/24/95/54/590249554.db2.gz XDNUWZGBWWCRPW-XKFHPXPTSA-N 2 0 225.336 0.076 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876853868 590249824 /nfs/dbraw/zinc/24/98/24/590249824.db2.gz AVGTZNQPVKQFIK-MXWKQRLJSA-N 2 0 245.342 0.568 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000876857766 590250228 /nfs/dbraw/zinc/25/02/28/590250228.db2.gz VUIWPWWNRIZTRM-AATLWQCWSA-N 2 0 243.326 0.176 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876860698 590250524 /nfs/dbraw/zinc/25/05/24/590250524.db2.gz HKJYSTOPLCNNPQ-KLBPJQLPSA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876859124 590250731 /nfs/dbraw/zinc/25/07/31/590250731.db2.gz CLKMZZWVAOBLML-ZJUUUORDSA-N 2 0 245.342 0.568 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876861390 590250968 /nfs/dbraw/zinc/25/09/68/590250968.db2.gz XUTCWYTUUQBGBH-HHIZAXHSSA-N 2 0 225.336 0.394 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876863858 590251219 /nfs/dbraw/zinc/25/12/19/590251219.db2.gz LBEYMJXSHNQNQL-FOGDFJRCSA-N 2 0 225.336 0.372 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000876865178 590251488 /nfs/dbraw/zinc/25/14/88/590251488.db2.gz VAJCRGLXCFBIES-YUMQZZPRSA-N 2 0 235.278 0.098 20 0 BCADRP CC1(C)[C@H](C(=O)N[C@H]2CC[NH2+]C2(C)C)C[C@@H]1[NH3+] ZINC000876871936 590251985 /nfs/dbraw/zinc/25/19/85/590251985.db2.gz OGALAOGCWQHVCE-GUBZILKMSA-N 2 0 239.363 0.617 20 0 BCADRP O=C(C=C[C@@H]1CCC[NH2+]C1)NCc1c[nH]cn1 ZINC000876882504 590253084 /nfs/dbraw/zinc/25/30/84/590253084.db2.gz JTIOERFAVGMCNV-XOULXFPDSA-N 2 0 234.303 0.582 20 0 BCADRP CN(C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)[C@@H](C[NH3+])C1CC1 ZINC000876913787 590256612 /nfs/dbraw/zinc/25/66/12/590256612.db2.gz LIMVOWUZVZKDQV-GARJFASQSA-N 2 0 239.363 0.556 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876916085 590256937 /nfs/dbraw/zinc/25/69/37/590256937.db2.gz KLPRIABDUYGNQQ-VTCRPIGSSA-N 2 0 237.347 0.490 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876927824 590258343 /nfs/dbraw/zinc/25/83/43/590258343.db2.gz MZIQEVDXNXODDM-RKDXNWHRSA-N 2 0 231.315 0.178 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000876932975 590258601 /nfs/dbraw/zinc/25/86/01/590258601.db2.gz AXBMVYZAWUWCFZ-DDHJBXDOSA-N 2 0 239.363 0.890 20 0 BCADRP CC1(C)[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH3+])C[C@@H]1[NH3+] ZINC000876932403 590258741 /nfs/dbraw/zinc/25/87/41/590258741.db2.gz LPJZBFXSIPHJIA-ZDCRXTMVSA-N 2 0 239.363 0.746 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876933223 590258810 /nfs/dbraw/zinc/25/88/10/590258810.db2.gz JFQOSYDFYNOTPZ-ZDCRXTMVSA-N 2 0 243.326 0.320 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000876935900 590258897 /nfs/dbraw/zinc/25/88/97/590258897.db2.gz SOIYRGXEESVXOT-RBNGQPPDSA-N 2 0 239.363 0.640 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000876935708 590258992 /nfs/dbraw/zinc/25/89/92/590258992.db2.gz UKMBMQKWAUPARI-GWOFURMSSA-N 2 0 227.352 0.746 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCCC[NH2+]C1CC1 ZINC000876939450 590259346 /nfs/dbraw/zinc/25/93/46/590259346.db2.gz ZGCZWSYNPXYGDV-MNOVXSKESA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000876948373 590259964 /nfs/dbraw/zinc/25/99/64/590259964.db2.gz HTDLLEOAWPNJFZ-MXWKQRLJSA-N 2 0 227.352 0.700 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876957837 590261114 /nfs/dbraw/zinc/26/11/14/590261114.db2.gz IMUPXHZMQTUFMG-BQBZGAKWSA-N 2 0 235.278 0.022 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876958034 590261157 /nfs/dbraw/zinc/26/11/57/590261157.db2.gz PGZLOYSJULRSNH-XUIVZRPNSA-N 2 0 239.363 0.738 20 0 BCADRP C[C@H](CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000876960307 590261463 /nfs/dbraw/zinc/26/14/63/590261463.db2.gz CGXASJUFGFOYHY-OUAUKWLOSA-N 2 0 245.342 0.390 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876977829 590264082 /nfs/dbraw/zinc/26/40/82/590264082.db2.gz GTAVKBQNFAFFFD-DJLDLDEBSA-N 2 0 213.325 0.084 20 0 BCADRP CC1(C)[C@H](C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[C@@H]1[NH3+] ZINC000876978703 590264246 /nfs/dbraw/zinc/26/42/46/590264246.db2.gz NYEBSEOMEPQIFH-JLIMGVALSA-N 2 0 243.326 0.258 20 0 BCADRP C[C@]1(NC(=O)CC[NH2+]CC2CC2)CC[NH2+]C1 ZINC000876979999 590264362 /nfs/dbraw/zinc/26/43/62/590264362.db2.gz CJUFWSZUFPLIKC-LBPRGKRZSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@]1(NC(=O)CCC23CC(C2)C[NH2+]3)CC[NH2+]C1 ZINC000876979936 590264417 /nfs/dbraw/zinc/26/44/17/590264417.db2.gz CCDGXESPULUARG-YDGIUTOCSA-N 2 0 237.347 0.387 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000877023586 590270609 /nfs/dbraw/zinc/27/06/09/590270609.db2.gz WVYIOGYNOJYKIM-UKKRHICBSA-N 2 0 239.363 0.617 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000877023584 590270626 /nfs/dbraw/zinc/27/06/26/590270626.db2.gz WVYIOGYNOJYKIM-LMLFDSFASA-N 2 0 239.363 0.617 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)C[NH2+]1 ZINC000877045623 590274011 /nfs/dbraw/zinc/27/40/11/590274011.db2.gz DCCVNUPOOCRYRV-VPOLOUISSA-N 2 0 239.363 0.617 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C[NH2+]1 ZINC000877045687 590274025 /nfs/dbraw/zinc/27/40/25/590274025.db2.gz DTUUSTCVEZHSHX-JBDRJPRFSA-N 2 0 247.289 0.083 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)C[NH2+]1 ZINC000877046173 590274092 /nfs/dbraw/zinc/27/40/92/590274092.db2.gz JSXPRVDVDHHMRZ-NHCYSSNCSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C[NH2+]1 ZINC000877045688 590274125 /nfs/dbraw/zinc/27/41/25/590274125.db2.gz DTUUSTCVEZHSHX-KZVJFYERSA-N 2 0 247.289 0.083 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C[NH2+]1 ZINC000877045709 590274133 /nfs/dbraw/zinc/27/41/33/590274133.db2.gz FKJZUDQFTSUKOJ-WYUUTHIRSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)C[NH2+]1 ZINC000877052339 590275357 /nfs/dbraw/zinc/27/53/57/590275357.db2.gz QVKBSFLDRWBAOO-VPOLOUISSA-N 2 0 243.326 0.191 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877095083 590278710 /nfs/dbraw/zinc/27/87/10/590278710.db2.gz INUVSFNMSCEPON-SCZZXKLOSA-N 2 0 201.314 0.310 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000877094706 590281333 /nfs/dbraw/zinc/28/13/33/590281333.db2.gz BNQCMSHUCXVYEL-USZNOCQGSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000877094708 590281714 /nfs/dbraw/zinc/28/17/14/590281714.db2.gz BNQCMSHUCXVYEL-YFKTTZPYSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)CCC(C)(C)[NH3+] ZINC000877095243 590281994 /nfs/dbraw/zinc/28/19/94/590281994.db2.gz JISPLBWABNYNDN-MRVPVSSYSA-N 2 0 201.314 0.310 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N(C)C[C@@H](C)[NH3+])cc1 ZINC000877103307 590283746 /nfs/dbraw/zinc/28/37/46/590283746.db2.gz TWJRDJAYFQFCQN-PWSUYJOCSA-N 2 0 235.331 0.800 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N(C)C[C@H](C)[NH3+] ZINC000877103112 590283799 /nfs/dbraw/zinc/28/37/99/590283799.db2.gz QMTUTPGUFVVHBO-VIFPVBQESA-N 2 0 215.341 0.557 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877102841 590283832 /nfs/dbraw/zinc/28/38/32/590283832.db2.gz NIJCDFRYXZKUCF-ZYHUDNBSSA-N 2 0 235.331 0.800 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103111 590283840 /nfs/dbraw/zinc/28/38/40/590283840.db2.gz QMTUTPGUFVVHBO-SECBINFHSA-N 2 0 215.341 0.557 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103921 590284043 /nfs/dbraw/zinc/28/40/43/590284043.db2.gz WUNAYMQSOVPWBY-MNOVXSKESA-N 2 0 227.352 0.666 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877103669 590284105 /nfs/dbraw/zinc/28/41/05/590284105.db2.gz XRENUSVYKDAQBE-DTWKUNHWSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000877103678 590284230 /nfs/dbraw/zinc/28/42/30/590284230.db2.gz XTWINKRVSQIPHY-NHCYSSNCSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000877106109 590284941 /nfs/dbraw/zinc/28/49/41/590284941.db2.gz QKCJSPTZHLWIDD-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000877107426 590285764 /nfs/dbraw/zinc/28/57/64/590285764.db2.gz FHMQROBNKBBMGU-LPEHRKFASA-N 2 0 213.325 0.310 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000877128598 590289949 /nfs/dbraw/zinc/28/99/49/590289949.db2.gz IEYVYGXFXDQPOA-CMPLNLGQSA-N 2 0 243.326 0.418 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000877128602 590290172 /nfs/dbraw/zinc/29/01/72/590290172.db2.gz IEYVYGXFXDQPOA-PWSUYJOCSA-N 2 0 243.326 0.418 20 0 BCADRP [NH3+][C@H](CC(=O)N1CCCCC[C@@H]([NH3+])C1)C1CC1 ZINC000877126937 590290220 /nfs/dbraw/zinc/29/02/20/590290220.db2.gz WQETWCMYRYSDJZ-VXGBXAGGSA-N 2 0 239.363 0.844 20 0 BCADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C2([NH3+])CC2)cc1 ZINC000877134108 590290874 /nfs/dbraw/zinc/29/08/74/590290874.db2.gz MZJSGRBOMZXEPW-WDEREUQCSA-N 2 0 231.299 0.931 20 0 BCADRP C[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)[C@H](C)[NH3+] ZINC000877153175 590292718 /nfs/dbraw/zinc/29/27/18/590292718.db2.gz UHUYKPUWKJDEPI-OUAUKWLOSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877153172 590292831 /nfs/dbraw/zinc/29/28/31/590292831.db2.gz UHUYKPUWKJDEPI-GARJFASQSA-N 2 0 241.379 0.864 20 0 BCADRP CC1(C)CC[C@H](CNC(=O)CC2([NH3+])CC2)[NH2+]C1 ZINC000877155520 590293378 /nfs/dbraw/zinc/29/33/78/590293378.db2.gz URAOJORPJAFSON-SNVBAGLBSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877154998 590293498 /nfs/dbraw/zinc/29/34/98/590293498.db2.gz RCYUQPKHTDKIGW-UWVGGRQHSA-N 2 0 227.352 0.489 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877157284 590293596 /nfs/dbraw/zinc/29/35/96/590293596.db2.gz BYSNISYRGVLSMA-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877157526 590293939 /nfs/dbraw/zinc/29/39/39/590293939.db2.gz HXQYJQQLQMRNOB-VIFPVBQESA-N 2 0 213.325 0.100 20 0 BCADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168321 590295298 /nfs/dbraw/zinc/29/52/98/590295298.db2.gz JRTBMSHBKZVUKS-HFQKVHLASA-N 2 0 235.331 0.115 20 0 BCADRP [NH3+][C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000877170290 590295864 /nfs/dbraw/zinc/29/58/64/590295864.db2.gz MFKJFJOLZLPLJJ-OUAUKWLOSA-N 2 0 223.320 0.077 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000877171359 590296185 /nfs/dbraw/zinc/29/61/85/590296185.db2.gz FJRNKXMPNCKRJX-CHWFTXMASA-N 2 0 225.336 0.452 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000877172298 590296448 /nfs/dbraw/zinc/29/64/48/590296448.db2.gz QBFRYALILAKPAR-UMOJZNBSSA-N 2 0 237.347 0.490 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc(C[NH3+])c1 ZINC000877174117 590296747 /nfs/dbraw/zinc/29/67/47/590296747.db2.gz AOPLNSMQNWFDSE-BXKDBHETSA-N 2 0 233.315 0.707 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000877180264 590298001 /nfs/dbraw/zinc/29/80/01/590298001.db2.gz TVCUEMLDNJHZQB-YUSALJHKSA-N 2 0 239.363 0.748 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000877180263 590298173 /nfs/dbraw/zinc/29/81/73/590298173.db2.gz TVCUEMLDNJHZQB-DLOVCJGASA-N 2 0 239.363 0.748 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877184168 590298380 /nfs/dbraw/zinc/29/83/80/590298380.db2.gz LAJZOIXGGDCXGH-SQLBVSGCSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000877187560 590298668 /nfs/dbraw/zinc/29/86/68/590298668.db2.gz BBGHLMNKCUNHBZ-HJGSJEJJSA-N 2 0 249.358 0.468 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@H]1CCCC[NH2+]1 ZINC000877191715 590298960 /nfs/dbraw/zinc/29/89/60/590298960.db2.gz CKCZYRQFWXFPLO-QWKFWESOSA-N 2 0 237.347 0.611 20 0 BCADRP CC[NH2+]CC(=O)NC1(C[NH3+])CCCCC1 ZINC000877205953 590301111 /nfs/dbraw/zinc/30/11/11/590301111.db2.gz ZEWBSGGEYKQMDN-UHFFFAOYSA-N 2 0 213.325 0.374 20 0 BCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C2([NH3+])CC2)C1 ZINC000877260082 590301885 /nfs/dbraw/zinc/30/18/85/590301885.db2.gz QYRZSKOKRDGGPW-LBPRGKRZSA-N 2 0 239.363 0.701 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877241787 590302213 /nfs/dbraw/zinc/30/22/13/590302213.db2.gz YIBYCYPPUKILRR-QCLAVDOMSA-N 2 0 225.336 0.213 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000877241595 590302303 /nfs/dbraw/zinc/30/23/03/590302303.db2.gz UXJWKPHLZFSGBT-XZUYRWCXSA-N 2 0 237.347 0.372 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242484 590302721 /nfs/dbraw/zinc/30/27/21/590302721.db2.gz QRXVFYWMKXRGGA-KXUCPTDWSA-N 2 0 225.336 0.228 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877244998 590303110 /nfs/dbraw/zinc/30/31/10/590303110.db2.gz YIBYCYPPUKILRR-ZYUZMQFOSA-N 2 0 225.336 0.213 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877244996 590303178 /nfs/dbraw/zinc/30/31/78/590303178.db2.gz YIBYCYPPUKILRR-KYXWUPHJSA-N 2 0 225.336 0.213 20 0 BCADRP CC(C)([NH3+])CCC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877244813 590303310 /nfs/dbraw/zinc/30/33/10/590303310.db2.gz QEERDGUUAIHVMT-DTORHVGOSA-N 2 0 213.325 0.357 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)C3([NH3+])CC3)CC[C@@H]21 ZINC000877250924 590303578 /nfs/dbraw/zinc/30/35/78/590303578.db2.gz UISCTNDRLRNODL-UWVGGRQHSA-N 2 0 223.320 0.030 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)CC3([NH3+])CC3)CC[C@@H]21 ZINC000877250160 590303687 /nfs/dbraw/zinc/30/36/87/590303687.db2.gz OFDRZGDITVIPCO-MNOVXSKESA-N 2 0 237.347 0.420 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC[C@H]21 ZINC000877248881 590303917 /nfs/dbraw/zinc/30/39/17/590303917.db2.gz FZRQFUUYMUCGKB-LBELIVKGSA-N 2 0 249.358 0.004 20 0 BCADRP C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C1CC[NH2+]CC1 ZINC000877255709 590304113 /nfs/dbraw/zinc/30/41/13/590304113.db2.gz ZDQIYOJKELNANQ-GMNPVEAJSA-N 2 0 237.347 0.241 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C1CC[NH2+]CC1 ZINC000877253476 590304140 /nfs/dbraw/zinc/30/41/40/590304140.db2.gz ZDQIYOJKELNANQ-HKWIRBFKSA-N 2 0 237.347 0.241 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000877258739 590304337 /nfs/dbraw/zinc/30/43/37/590304337.db2.gz WUXUTDNDVQXXHS-MXWKQRLJSA-N 2 0 243.326 0.274 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000877272986 590305477 /nfs/dbraw/zinc/30/54/77/590305477.db2.gz BOIXZTDGJNAGFE-DBIOUOCHSA-N 2 0 223.320 0.077 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877271838 590305588 /nfs/dbraw/zinc/30/55/88/590305588.db2.gz FHJNUQBATIZHBP-OPRDCNLKSA-N 2 0 211.309 0.077 20 0 BCADRP [NH3+]CC1(CC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000877275193 590305787 /nfs/dbraw/zinc/30/57/87/590305787.db2.gz QAXQBLBQTZZZRZ-WDEREUQCSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)co1 ZINC000877280907 590306249 /nfs/dbraw/zinc/30/62/49/590306249.db2.gz FBCGTENGUSSLRJ-VXGBXAGGSA-N 2 0 249.314 0.705 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877281263 590306404 /nfs/dbraw/zinc/30/64/04/590306404.db2.gz GTJLAAIGPIVWHU-GRYCIOLGSA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)co1 ZINC000877280904 590306516 /nfs/dbraw/zinc/30/65/16/590306516.db2.gz FBCGTENGUSSLRJ-NEPJUHHUSA-N 2 0 249.314 0.705 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877284334 590306640 /nfs/dbraw/zinc/30/66/40/590306640.db2.gz SUBVAJKAVRMUER-NAKRPEOUSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877283708 590306691 /nfs/dbraw/zinc/30/66/91/590306691.db2.gz QEVKSEBKIIHRIM-HBNTYKKESA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+]CCCCCC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877282769 590306696 /nfs/dbraw/zinc/30/66/96/590306696.db2.gz NAZJHRGAEVNCRJ-NEPJUHHUSA-N 2 0 239.363 0.858 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877284039 590306750 /nfs/dbraw/zinc/30/67/50/590306750.db2.gz RUWYELGCGABOCC-OPDFLTKYSA-N 2 0 249.358 0.339 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877285084 590306849 /nfs/dbraw/zinc/30/68/49/590306849.db2.gz XSLFGAMKMGGBAM-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877285083 590306864 /nfs/dbraw/zinc/30/68/64/590306864.db2.gz XSLFGAMKMGGBAM-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877286098 590307314 /nfs/dbraw/zinc/30/73/14/590307314.db2.gz ATWWLFCWJZCONW-NWDGAFQWSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000877292568 590307768 /nfs/dbraw/zinc/30/77/68/590307768.db2.gz OVLBQVLDJVLMEU-QXEWZRGKSA-N 2 0 225.336 0.513 20 0 BCADRP CC[C@H](C(=O)N[C@]12CCC[C@H]1[NH2+]CC2)[NH+](C)C ZINC000877385549 590320916 /nfs/dbraw/zinc/32/09/16/590320916.db2.gz LKKPMCXKCLWWSR-WZRBSPASSA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)C1 ZINC000877384158 590320966 /nfs/dbraw/zinc/32/09/66/590320966.db2.gz DMJAEQBQXBKXJD-NTZNESFSSA-N 2 0 235.331 0.435 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877392922 590321997 /nfs/dbraw/zinc/32/19/97/590321997.db2.gz VXQFRIAZKCPYSE-MDZLAQPJSA-N 2 0 239.363 0.775 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877392924 590322155 /nfs/dbraw/zinc/32/21/55/590322155.db2.gz VXQFRIAZKCPYSE-NTZNESFSSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391506 590322228 /nfs/dbraw/zinc/32/22/28/590322228.db2.gz OGTATBVWLSSVSI-XHVZSJERSA-N 2 0 237.347 0.528 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877392923 590322269 /nfs/dbraw/zinc/32/22/69/590322269.db2.gz VXQFRIAZKCPYSE-NQBHXWOUSA-N 2 0 239.363 0.775 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877398872 590322861 /nfs/dbraw/zinc/32/28/61/590322861.db2.gz INELJJYXZIEWHM-AAEUAGOBSA-N 2 0 239.363 0.775 20 0 BCADRP O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@]1(F)CC[NH2+]C1 ZINC000877398014 590323075 /nfs/dbraw/zinc/32/30/75/590323075.db2.gz ADZDIPSELRNMJN-USWWRNFRSA-N 2 0 241.310 0.089 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877398855 590323090 /nfs/dbraw/zinc/32/30/90/590323090.db2.gz IAVAIXADOWFERF-GMXVVIOVSA-N 2 0 237.347 0.529 20 0 BCADRP C[NH2+]CC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877402191 590323536 /nfs/dbraw/zinc/32/35/36/590323536.db2.gz ZREWEIJIHLZQTO-NSHDSACASA-N 2 0 239.363 0.634 20 0 BCADRP C[NH2+]CCC(=O)N(C)CCCCCC[NH3+] ZINC000877438474 590327977 /nfs/dbraw/zinc/32/79/77/590327977.db2.gz QSSYPXKGWUDRLQ-UHFFFAOYSA-N 2 0 215.341 0.573 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)C[C@@H]1CC[NH2+]C1 ZINC000877437983 590328202 /nfs/dbraw/zinc/32/82/02/590328202.db2.gz FQKKVCYJZMVEPE-LBPRGKRZSA-N 2 0 241.379 0.964 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@H]1CC[NH2+]1 ZINC000877451500 590330137 /nfs/dbraw/zinc/33/01/37/590330137.db2.gz OTFKHKBOYUATMO-MXWKQRLJSA-N 2 0 223.320 0.043 20 0 BCADRP CC(C)[C@H](O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000877982255 590464872 /nfs/dbraw/zinc/46/48/72/590464872.db2.gz NEGAGYFCRZZZCE-GRYCIOLGSA-N 2 0 212.337 0.545 20 0 BCADRP C[NH+](C)C1CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000127198847 590589902 /nfs/dbraw/zinc/58/99/02/590589902.db2.gz UZHXBODNQGZRDN-UHFFFAOYSA-N 2 0 248.330 0.830 20 0 BCADRP CC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573770 590810927 /nfs/dbraw/zinc/81/09/27/590810927.db2.gz RCUJKGZVFOUZPS-UTUOFQBUSA-N 2 0 212.337 0.783 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879582022 590821000 /nfs/dbraw/zinc/82/10/00/590821000.db2.gz PJGBNSUXYPKZJP-GRYCIOLGSA-N 2 0 228.336 0.020 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)C3CC3)CC[C@H]21 ZINC000879580584 590821134 /nfs/dbraw/zinc/82/11/34/590821134.db2.gz UHLDXAQOPZTRTB-UPJWGTAASA-N 2 0 224.348 0.783 20 0 BCADRP CC[NH+](CC)CCC[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879695109 590850642 /nfs/dbraw/zinc/85/06/42/590850642.db2.gz FNDRZBQDJOIEME-BETUJISGSA-N 2 0 244.379 0.251 20 0 BCADRP CC[N@H+]1[C@H](C)CN(C(=O)CN(C)C)C[C@@H]1C ZINC000880609513 591109585 /nfs/dbraw/zinc/10/95/85/591109585.db2.gz XXYJAGWVPNUNME-PHIMTYICSA-N 2 0 227.352 0.489 20 0 BCADRP CC1(C)[C@H](O)C[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000129525385 591320477 /nfs/dbraw/zinc/32/04/77/591320477.db2.gz OGYNTEAUROGXTG-QJPTWQEYSA-N 2 0 242.363 0.192 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000882486350 591360309 /nfs/dbraw/zinc/36/03/09/591360309.db2.gz QMJCZTULLRQKGA-QWRGUYRKSA-N 2 0 225.336 0.149 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC000882484646 591360756 /nfs/dbraw/zinc/36/07/56/591360756.db2.gz IZCJDEHQYHURKH-NSHDSACASA-N 2 0 227.352 0.537 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000882486280 591362117 /nfs/dbraw/zinc/36/21/17/591362117.db2.gz PCROKQZMKMVLCI-GHMZBOCLSA-N 2 0 225.336 0.291 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000882486936 591363707 /nfs/dbraw/zinc/36/37/07/591363707.db2.gz YPZKLKKCSPWHQJ-VXGBXAGGSA-N 2 0 241.379 0.783 20 0 BCADRP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CC)[NH+](C)C ZINC000882489209 591367580 /nfs/dbraw/zinc/36/75/80/591367580.db2.gz OMUNATTZFBPTIO-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000882493041 591373303 /nfs/dbraw/zinc/37/33/03/591373303.db2.gz XJLHQKRYFWKAJR-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)[NH+](C)C ZINC000882496140 591377313 /nfs/dbraw/zinc/37/73/13/591377313.db2.gz PEBNNXYYJBTJBJ-UWVGGRQHSA-N 2 0 213.325 0.147 20 0 BCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC000214349131 591550174 /nfs/dbraw/zinc/55/01/74/591550174.db2.gz NHAJOYNDNATXMF-WUWIAWFRSA-N 2 0 245.754 0.526 20 0 BCADRP COC[C@H]([NH2+]CCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000883164785 591558675 /nfs/dbraw/zinc/55/86/75/591558675.db2.gz ODCAMPAVUNWRSS-OLZOCXBDSA-N 2 0 244.379 0.969 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883415785 591652540 /nfs/dbraw/zinc/65/25/40/591652540.db2.gz DZMMYAVRKUKDFH-GARJFASQSA-N 2 0 215.316 0.500 20 0 BCADRP [NH3+][C@@H]1CCN(C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000883415499 591652961 /nfs/dbraw/zinc/65/29/61/591652961.db2.gz WYUGCVGNEAMZMR-NEPJUHHUSA-N 2 0 240.347 0.748 20 0 BCADRP C[NH2+]CC1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883417327 591653111 /nfs/dbraw/zinc/65/31/11/591653111.db2.gz WXMFCACISQZVCU-RYUDHWBXSA-N 2 0 229.343 0.618 20 0 BCADRP C[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CC[C@@H]1[NH3+] ZINC000883417745 591654192 /nfs/dbraw/zinc/65/41/92/591654192.db2.gz LOCVUXDAWHQOOS-RCWTZXSCSA-N 2 0 215.316 0.356 20 0 BCADRP CC1([NH3+])CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883425976 591658609 /nfs/dbraw/zinc/65/86/09/591658609.db2.gz GDDIKNLWRRTXSI-UWVGGRQHSA-N 2 0 215.316 0.500 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000883423288 591658813 /nfs/dbraw/zinc/65/88/13/591658813.db2.gz HYUBSNUFSPOKFH-RWMBFGLXSA-N 2 0 241.354 0.857 20 0 BCADRP Cc1nonc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000883424107 591659148 /nfs/dbraw/zinc/65/91/48/591659148.db2.gz GHZAKHADQQRSHU-UHFFFAOYSA-N 2 0 236.319 0.954 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883427975 591659940 /nfs/dbraw/zinc/65/99/40/591659940.db2.gz ICMGQDBQZLDMBR-DCAQKATOSA-N 2 0 215.316 0.357 20 0 BCADRP C[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)[C@H](C)C[NH2+]1 ZINC000883429327 591659978 /nfs/dbraw/zinc/65/99/78/591659978.db2.gz SAWDTSXBTKNEJO-ZNSHCXBVSA-N 2 0 215.316 0.369 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883435130 591664372 /nfs/dbraw/zinc/66/43/72/591664372.db2.gz LDOCXUDAJGABOP-YTWAJWBKSA-N 2 0 215.316 0.498 20 0 BCADRP CC(C)[C@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CC[N@@H+]1C ZINC000883439452 591668595 /nfs/dbraw/zinc/66/85/95/591668595.db2.gz RXFLHSFOPOFGHB-RWMBFGLXSA-N 2 0 243.370 0.958 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCN1CCOC1=O ZINC000883441147 591668846 /nfs/dbraw/zinc/66/88/46/591668846.db2.gz IHBCNQUQGPUWIO-IUCAKERBSA-N 2 0 227.308 0.154 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](CF)C1 ZINC000883447536 591671529 /nfs/dbraw/zinc/67/15/29/591671529.db2.gz DZHBCSYFOHKUCR-ZJUUUORDSA-N 2 0 204.289 0.248 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C[C@@H]1CC[NH2+]C1 ZINC000883448677 591671684 /nfs/dbraw/zinc/67/16/84/591671684.db2.gz MYOGZJRZKVFWSQ-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP COc1cccc([C@@H]2C[NH2+]CCN2CCC[NH3+])c1 ZINC000883455800 591673178 /nfs/dbraw/zinc/67/31/78/591673178.db2.gz LCEGWDZIVPVPRM-AWEZNQCLSA-N 2 0 249.358 0.990 20 0 BCADRP C([C@H]1C[NH2+]CCO1)N1CC[NH2+]CCC12CCC2 ZINC000883460228 591674524 /nfs/dbraw/zinc/67/45/24/591674524.db2.gz SATGCAYIWZQUDK-GFCCVEGCSA-N 2 0 239.363 0.193 20 0 BCADRP CO[C@@H]1COCC[C@@H]1[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000883461158 591674710 /nfs/dbraw/zinc/67/47/10/591674710.db2.gz OWCPSWAALDXYTK-FRRDWIJNSA-N 2 0 242.363 0.722 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132888834 591745502 /nfs/dbraw/zinc/74/55/02/591745502.db2.gz LFCLZMVLVCROBQ-AXFHLTTASA-N 2 0 225.336 0.467 20 0 BCADRP CO[C@@H](C[NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000884006825 591794034 /nfs/dbraw/zinc/79/40/34/591794034.db2.gz DGXRXVQIWSWPJV-JTQLQIEISA-N 2 0 223.276 0.058 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884006289 591794048 /nfs/dbraw/zinc/79/40/48/591794048.db2.gz MIPGOHONMKDEBT-VXGBXAGGSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NCCC[NH3+] ZINC000884008475 591796390 /nfs/dbraw/zinc/79/63/90/591796390.db2.gz QHRUAFYOHZXHNC-VIFPVBQESA-N 2 0 201.314 0.086 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[C@H]([NH3+])C(C)C)C1 ZINC000884009529 591796557 /nfs/dbraw/zinc/79/65/57/591796557.db2.gz YSAYMDDEHYTFCP-GHMZBOCLSA-N 2 0 241.379 0.816 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884011807 591797754 /nfs/dbraw/zinc/79/77/54/591797754.db2.gz QFCUDXITOSKSBX-ZJUUUORDSA-N 2 0 225.336 0.100 20 0 BCADRP COCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000884013710 591798710 /nfs/dbraw/zinc/79/87/10/591798710.db2.gz QLOJIPMBJPJZGK-GARJFASQSA-N 2 0 243.351 0.079 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884013734 591798755 /nfs/dbraw/zinc/79/87/55/591798755.db2.gz QVZSVFRNYUOALN-WCQGTBRESA-N 2 0 239.363 0.842 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)NCC1CC[NH2+]CC1 ZINC000884012134 591799298 /nfs/dbraw/zinc/79/92/98/591799298.db2.gz AJTXOFKENOBRIB-LLVKDONJSA-N 2 0 225.336 0.230 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000884017863 591800267 /nfs/dbraw/zinc/80/02/67/591800267.db2.gz IABVDIUZRXBVON-MNOVXSKESA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000884017513 591800801 /nfs/dbraw/zinc/80/08/01/591800801.db2.gz YVKSORWEYWBRAW-QWRGUYRKSA-N 2 0 225.336 0.230 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000884018536 591801247 /nfs/dbraw/zinc/80/12/47/591801247.db2.gz XJAOWGYEZARIMX-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[C@H]([NH3+])C1 ZINC000884019993 591801251 /nfs/dbraw/zinc/80/12/51/591801251.db2.gz KFIFERKCLQAQRB-VHSXEESVSA-N 2 0 227.352 0.556 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000884020825 591801320 /nfs/dbraw/zinc/80/13/20/591801320.db2.gz KVGGDSHBLKYNGS-NEPJUHHUSA-N 2 0 241.379 0.831 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000884024701 591805217 /nfs/dbraw/zinc/80/52/17/591805217.db2.gz ZISPEFCHFJXZQM-ZJUUUORDSA-N 2 0 225.336 0.100 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC(C)(C)C[NH3+] ZINC000884025925 591807365 /nfs/dbraw/zinc/80/73/65/591807365.db2.gz MDZTYXZGBNSUOA-VIFPVBQESA-N 2 0 215.341 0.474 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000884028807 591812951 /nfs/dbraw/zinc/81/29/51/591812951.db2.gz SAWZECACCZJABE-MNOVXSKESA-N 2 0 241.379 0.816 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000884029376 591813986 /nfs/dbraw/zinc/81/39/86/591813986.db2.gz KCSTVLGXUNTRPH-LLVKDONJSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884034411 591815749 /nfs/dbraw/zinc/81/57/49/591815749.db2.gz DNDVDZWCYLNGQJ-UWVGGRQHSA-N 2 0 213.325 0.213 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000884035122 591817833 /nfs/dbraw/zinc/81/78/33/591817833.db2.gz SHVHFTXWQCIKKD-MNOVXSKESA-N 2 0 229.368 0.720 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884037734 591818951 /nfs/dbraw/zinc/81/89/51/591818951.db2.gz KZJBJSSZFQGALK-SNVBAGLBSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884040293 591821973 /nfs/dbraw/zinc/82/19/73/591821973.db2.gz PPOYANUCKZDWAS-GHMZBOCLSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]([NH3+])CC1CC1 ZINC000884041512 591823033 /nfs/dbraw/zinc/82/30/33/591823033.db2.gz ADHRGRKXHUZBSI-NWDGAFQWSA-N 2 0 241.379 0.946 20 0 BCADRP COCC[C@H]([NH3+])C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000884040812 591823107 /nfs/dbraw/zinc/82/31/07/591823107.db2.gz DYFKFGHJIVXHDQ-MNOVXSKESA-N 2 0 245.367 0.182 20 0 BCADRP C[N@H+](CC1CC[NH+](C)CC1)CC(C)(CO)CO ZINC000133802684 591860747 /nfs/dbraw/zinc/86/07/47/591860747.db2.gz RYCJRWYCGNIXDC-UHFFFAOYSA-N 2 0 244.379 0.251 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000884206778 591873660 /nfs/dbraw/zinc/87/36/60/591873660.db2.gz DUDPGMJNJLGBFP-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000884244206 591881039 /nfs/dbraw/zinc/88/10/39/591881039.db2.gz AIZWGNMGBZHNCI-WOPDTQHZSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884245531 591882189 /nfs/dbraw/zinc/88/21/89/591882189.db2.gz XNXHIFOTJYZLNF-GDPRMGEGSA-N 2 0 225.336 0.310 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000884247439 591882827 /nfs/dbraw/zinc/88/28/27/591882827.db2.gz UWCMATTYMLKKBL-VIFPVBQESA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC1([NH3+])CCC1 ZINC000884247531 591883256 /nfs/dbraw/zinc/88/32/56/591883256.db2.gz YJABICCSXKATQY-SNVBAGLBSA-N 2 0 241.379 0.994 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000884267996 591888155 /nfs/dbraw/zinc/88/81/55/591888155.db2.gz SMPCBZWKTDFQCE-GRYCIOLGSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000884265690 591888601 /nfs/dbraw/zinc/88/86/01/591888601.db2.gz QNSSWZSRIOXNFO-QWRGUYRKSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884273258 591889352 /nfs/dbraw/zinc/88/93/52/591889352.db2.gz MLYKYZRMCBSIQQ-AXFHLTTASA-N 2 0 239.363 0.489 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884294444 591895801 /nfs/dbraw/zinc/89/58/01/591895801.db2.gz BAVWKZJOJGYCFI-JTQLQIEISA-N 2 0 227.352 0.748 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000884296935 591897077 /nfs/dbraw/zinc/89/70/77/591897077.db2.gz HZESCVDWOGGRIY-HTQZYQBOSA-N 2 0 249.305 0.331 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000884303386 591899191 /nfs/dbraw/zinc/89/91/91/591899191.db2.gz NJNBWBLEOGNEHX-WOPDTQHZSA-N 2 0 241.379 0.864 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000884303183 591899246 /nfs/dbraw/zinc/89/92/46/591899246.db2.gz IUUDYSVUMXSZQF-QJPTWQEYSA-N 2 0 237.347 0.324 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884302625 591899299 /nfs/dbraw/zinc/89/92/99/591899299.db2.gz VDZLCOLDGQPHJJ-QWRGUYRKSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884302402 591899323 /nfs/dbraw/zinc/89/93/23/591899323.db2.gz PYLHCTYIHUNFGE-VWYCJHECSA-N 2 0 225.336 0.357 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000884304714 591900187 /nfs/dbraw/zinc/90/01/87/591900187.db2.gz YPWRXVOEPZGXOA-NXEZZACHSA-N 2 0 239.363 0.489 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]([NH3+])CC1CC1 ZINC000884325288 591905000 /nfs/dbraw/zinc/90/50/00/591905000.db2.gz MZNDRJZWMMDTHB-GFCCVEGCSA-N 2 0 239.363 0.666 20 0 BCADRP CN(C(=O)[C@H]([NH3+])CC1CC1)[C@H](C[NH3+])C1CC1 ZINC000884338620 591905291 /nfs/dbraw/zinc/90/52/91/591905291.db2.gz NVAOMGVHDZJUEA-GHMZBOCLSA-N 2 0 225.336 0.310 20 0 BCADRP CN(C(=O)[C@H]([NH3+])CC1CC1)[C@@H](C[NH3+])C1CC1 ZINC000884338621 591905332 /nfs/dbraw/zinc/90/53/32/591905332.db2.gz NVAOMGVHDZJUEA-MNOVXSKESA-N 2 0 225.336 0.310 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884347978 591908752 /nfs/dbraw/zinc/90/87/52/591908752.db2.gz LIWAGXUVBRPTNV-NXEZZACHSA-N 2 0 227.352 0.617 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)C[NH2+]CC1CC1 ZINC000884347811 591908757 /nfs/dbraw/zinc/90/87/57/591908757.db2.gz GZWFLCXOTWXOEO-UWVGGRQHSA-N 2 0 225.336 0.228 20 0 BCADRP CC1(C)[C@H](NC(=O)c2ccc(C[NH3+])o2)C[C@@H]1[NH3+] ZINC000884348344 591909989 /nfs/dbraw/zinc/90/99/89/591909989.db2.gz WKJOOTSXBXPSNK-VHSXEESVSA-N 2 0 237.303 0.594 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884358337 591911452 /nfs/dbraw/zinc/91/14/52/591911452.db2.gz OZDOGFVPWOYYEJ-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1ccnc(C[NH3+])c1 ZINC000884357540 591911801 /nfs/dbraw/zinc/91/18/01/591911801.db2.gz AHNXLGGRGLEIHB-GHMZBOCLSA-N 2 0 248.330 0.396 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884358921 591912332 /nfs/dbraw/zinc/91/23/32/591912332.db2.gz ZZPPIGKDWGARHC-XHNCKOQMSA-N 2 0 225.336 0.226 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CCCC[NH3+] ZINC000884357715 591912718 /nfs/dbraw/zinc/91/27/18/591912718.db2.gz DFTHKCJKUKAVAI-BDAKNGLRSA-N 2 0 213.325 0.357 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884358874 591912908 /nfs/dbraw/zinc/91/29/08/591912908.db2.gz ZRCLMWYZSXLLPB-UWVGGRQHSA-N 2 0 241.379 0.994 20 0 BCADRP CC1(C)[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC000884358171 591912936 /nfs/dbraw/zinc/91/29/36/591912936.db2.gz LUWXVBUFYITKQF-KXUCPTDWSA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C)[NH+](C)C ZINC000884358863 591912968 /nfs/dbraw/zinc/91/29/68/591912968.db2.gz ZNUCGPISUYEMDO-OUAUKWLOSA-N 2 0 241.379 0.815 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000884358046 591913136 /nfs/dbraw/zinc/91/31/36/591913136.db2.gz KUXIFVXOYPLYEP-AXFHLTTASA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000884358049 591913175 /nfs/dbraw/zinc/91/31/75/591913175.db2.gz KUXIFVXOYPLYEP-MXWKQRLJSA-N 2 0 239.363 0.618 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884360346 591913562 /nfs/dbraw/zinc/91/35/62/591913562.db2.gz YUPUPUWDNBKFSD-KXUCPTDWSA-N 2 0 227.352 0.617 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000884360735 591914653 /nfs/dbraw/zinc/91/46/53/591914653.db2.gz FYIWPNXFQYQYDD-MXWKQRLJSA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884364934 591916648 /nfs/dbraw/zinc/91/66/48/591916648.db2.gz APKMHWDTLVXWGY-BBBLOLIVSA-N 2 0 239.363 0.474 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884365698 591917027 /nfs/dbraw/zinc/91/70/27/591917027.db2.gz NBPLGKVJSYJSON-GARJFASQSA-N 2 0 241.379 0.863 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000884366298 591917089 /nfs/dbraw/zinc/91/70/89/591917089.db2.gz XKAUOKFFPXJGJS-VWYCJHECSA-N 2 0 239.363 0.570 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884365373 591917101 /nfs/dbraw/zinc/91/71/01/591917101.db2.gz IGYHZYKUEQTOBC-IVZWLZJFSA-N 2 0 225.336 0.356 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000884366112 591917600 /nfs/dbraw/zinc/91/76/00/591917600.db2.gz UMFPVKSBXUCHQB-MNOVXSKESA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000884366111 591917652 /nfs/dbraw/zinc/91/76/52/591917652.db2.gz UMFPVKSBXUCHQB-GHMZBOCLSA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000884365913 591917675 /nfs/dbraw/zinc/91/76/75/591917675.db2.gz QKMHJFHHMNDZMW-LMLFDSFASA-N 2 0 239.363 0.746 20 0 BCADRP [NH3+]CCC1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884388386 591921922 /nfs/dbraw/zinc/92/19/22/591921922.db2.gz TXTWERXQHNUANT-GFCCVEGCSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884389913 591923073 /nfs/dbraw/zinc/92/30/73/591923073.db2.gz JCDYHIXQJBMVCM-IEBDPFPHSA-N 2 0 225.336 0.452 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884390293 591923685 /nfs/dbraw/zinc/92/36/85/591923685.db2.gz SGSXBCOCFNEAKN-GMTAPVOTSA-N 2 0 239.363 0.570 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000884403978 591925340 /nfs/dbraw/zinc/92/53/40/591925340.db2.gz XTGGVFZKTCJUTH-SNVBAGLBSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884416249 591927541 /nfs/dbraw/zinc/92/75/41/591927541.db2.gz WFZOQBGVVRCCLF-GHMZBOCLSA-N 2 0 241.379 0.722 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000884422203 591929706 /nfs/dbraw/zinc/92/97/06/591929706.db2.gz PLAKDXHLIBCVMS-SKDRFNHKSA-N 2 0 225.336 0.100 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000884422202 591929942 /nfs/dbraw/zinc/92/99/42/591929942.db2.gz PLAKDXHLIBCVMS-JOYOIKCWSA-N 2 0 225.336 0.100 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884420633 591929982 /nfs/dbraw/zinc/92/99/82/591929982.db2.gz ZAJKUHFYQPNZRB-NXEZZACHSA-N 2 0 229.368 0.720 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)C[NH2+]1 ZINC000884437296 591934042 /nfs/dbraw/zinc/93/40/42/591934042.db2.gz CLCOPJFQRYLSPL-MXWKQRLJSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884459262 591941225 /nfs/dbraw/zinc/94/12/25/591941225.db2.gz ZPSZMCMYILXILH-OPRDCNLKSA-N 2 0 225.336 0.180 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884458890 591941411 /nfs/dbraw/zinc/94/14/11/591941411.db2.gz PIKKBKHVRALDJI-MXWKQRLJSA-N 2 0 227.352 0.569 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000884469910 591943930 /nfs/dbraw/zinc/94/39/30/591943930.db2.gz ZOWUPHPSUHGMHP-KXUCPTDWSA-N 2 0 225.336 0.086 20 0 BCADRP Cc1nc(C)c(C)c(NCC[N@H+](C)CCO)n1 ZINC000884824875 592018097 /nfs/dbraw/zinc/01/80/97/592018097.db2.gz TZTJYTZUYPVFLM-UHFFFAOYSA-N 2 0 238.335 0.738 20 0 BCADRP [NH3+][C@H](CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000137383805 592175951 /nfs/dbraw/zinc/17/59/51/592175951.db2.gz SZDVZKMMXRMNKV-CMPLNLGQSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886826982 592351040 /nfs/dbraw/zinc/35/10/40/592351040.db2.gz BBOOSSBZJZEEJZ-TUAOUCFPSA-N 2 0 210.321 0.694 20 0 BCADRP [NH3+]CCN(CCO)CC[C@@H]1C[C@H]1C1CC1 ZINC000886832494 592354361 /nfs/dbraw/zinc/35/43/61/592354361.db2.gz JGBMZXSQLCQDAG-NEPJUHHUSA-N 2 0 212.337 0.676 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1C[C@]12CCOC2 ZINC000886841382 592362952 /nfs/dbraw/zinc/36/29/52/592362952.db2.gz JNKWDWIGOHQTJC-STQMWFEESA-N 2 0 242.363 0.581 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1C[C@@]13CCOC3)C2 ZINC000886841887 592363174 /nfs/dbraw/zinc/36/31/74/592363174.db2.gz ZKBDVKWXQLZVHZ-IGQOVBAYSA-N 2 0 236.359 0.954 20 0 BCADRP CC(C)([NH2+]C[C@H]1CC[NH2+]C1)C(=O)N1CCCC1 ZINC000886858294 592369524 /nfs/dbraw/zinc/36/95/24/592369524.db2.gz VHCKNBNSIKFLFN-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=[NH2+])NCC1CC1 ZINC000887345906 592484032 /nfs/dbraw/zinc/48/40/32/592484032.db2.gz ILIXQOSWQIISAF-UHFFFAOYSA-N 2 0 212.341 0.851 20 0 BCADRP [NH2+]=C(NCCNc1cc[nH+]cc1)NCC(F)F ZINC000887351436 592485709 /nfs/dbraw/zinc/48/57/09/592485709.db2.gz PDETVUXCVBWENB-UHFFFAOYSA-N 2 0 243.261 0.294 20 0 BCADRP C[N@H+]1CC=C(CNC(=[NH2+])NCC(F)F)CC1 ZINC000887356408 592488410 /nfs/dbraw/zinc/48/84/10/592488410.db2.gz BRIHVHJSPJWLON-UHFFFAOYSA-N 2 0 232.278 0.627 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=[NH2+])NCC2CC2)C1 ZINC000887363322 592491688 /nfs/dbraw/zinc/49/16/88/592491688.db2.gz SNUYHYIPHJHSGR-PHIMTYICSA-N 2 0 224.352 0.851 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC2CC2)CC[N@@H+]1C ZINC000302708632 592552232 /nfs/dbraw/zinc/55/22/32/592552232.db2.gz XNUOOYHIHAKRRA-JLLWLGSASA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000302692019 592552244 /nfs/dbraw/zinc/55/22/44/592552244.db2.gz SUNUMUCTTDTFTE-JQWIXIFHSA-N 2 0 237.347 0.467 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000925703151 634380170 /nfs/dbraw/zinc/38/01/70/634380170.db2.gz CUDMQDWRZUXEAU-GUBZILKMSA-N 2 0 215.316 0.417 20 0 BCADRP CCNC(=O)C(C)(C)[NH2+]CC1CC[NH+](C)CC1 ZINC000312856536 634380235 /nfs/dbraw/zinc/38/02/35/634380235.db2.gz JLIOKJAJWBDYDY-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1NCCC[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000925705898 634388966 /nfs/dbraw/zinc/38/89/66/634388966.db2.gz IYOVYNWXPFQPBN-QJPTWQEYSA-N 2 0 223.364 0.859 20 0 BCADRP CC[C@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000054240425 634400533 /nfs/dbraw/zinc/40/05/33/634400533.db2.gz BSQJLGXSGDEAKP-LLVKDONJSA-N 2 0 200.326 0.689 20 0 BCADRP CC[C@@H](O)C[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925711667 634412648 /nfs/dbraw/zinc/41/26/48/634412648.db2.gz UYHIOPNRVRIYSJ-IYKVGLELSA-N 2 0 228.336 0.099 20 0 BCADRP CC[C@H]([NH3+])CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925713934 634417396 /nfs/dbraw/zinc/41/73/96/634417396.db2.gz ZIYFTJWURYNWMB-QWRGUYRKSA-N 2 0 211.353 0.988 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000925714750 634433737 /nfs/dbraw/zinc/43/37/37/634433737.db2.gz WBMZQJBCIQILKP-OPRDCNLKSA-N 2 0 225.336 0.371 20 0 BCADRP C[NH2+]C[C@H](C)N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925716214 634447833 /nfs/dbraw/zinc/44/78/33/634447833.db2.gz LWKFNTSNXFWSDY-WHOHXGKFSA-N 2 0 225.380 0.961 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925717651 634455270 /nfs/dbraw/zinc/45/52/70/634455270.db2.gz CNOWFQXCZOZOGU-MNOVXSKESA-N 3 0 227.352 0.082 20 0 BCADRP C[N@@H+]1CCC[C@H]1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925719419 634456811 /nfs/dbraw/zinc/45/68/11/634456811.db2.gz ROQLVSUIIVTNCU-XNBXPENISA-N 2 0 235.375 0.667 20 0 BCADRP C[C@@H]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)C[NH2+]1 ZINC000925719670 634457018 /nfs/dbraw/zinc/45/70/18/634457018.db2.gz ULJUSUXCUPSKMC-WRWGMCAJSA-N 2 0 223.364 0.986 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC[NH2+]C1 ZINC000335511040 634476422 /nfs/dbraw/zinc/47/64/22/634476422.db2.gz CEUQXIBKSUQPGM-CHWSQXEVSA-N 2 0 237.347 0.341 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000257717874 634479058 /nfs/dbraw/zinc/47/90/58/634479058.db2.gz SHEYNKMZALXDLY-RYUDHWBXSA-N 2 0 239.363 0.526 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000257717872 634479696 /nfs/dbraw/zinc/47/96/96/634479696.db2.gz SHEYNKMZALXDLY-NWDGAFQWSA-N 2 0 239.363 0.526 20 0 BCADRP O[C@@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000313574558 634492631 /nfs/dbraw/zinc/49/26/31/634492631.db2.gz NSNFNSQOWRERKF-IHRRRGAJSA-N 2 0 232.327 0.871 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000925769065 635190702 /nfs/dbraw/zinc/19/07/02/635190702.db2.gz XYLCYGTVGQLEQV-FIQHERPVSA-N 2 0 230.352 0.632 20 0 BCADRP C[N@@H+]1CC[C@@H](c2nc([C@H]3CCC[NH2+]C3)no2)C1 ZINC000258098137 634564957 /nfs/dbraw/zinc/56/49/57/634564957.db2.gz RXEWJOVHDZXXNO-VHSXEESVSA-N 2 0 236.319 0.956 20 0 BCADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000423312425 634579353 /nfs/dbraw/zinc/57/93/53/634579353.db2.gz VCYVMEOQHGVFEL-WPRPVWTQSA-N 2 0 208.309 0.972 20 0 BCADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000423312423 634580725 /nfs/dbraw/zinc/58/07/25/634580725.db2.gz VCYVMEOQHGVFEL-SCZZXKLOSA-N 2 0 208.309 0.972 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCN1CCNC1=O ZINC000925777108 635259461 /nfs/dbraw/zinc/25/94/61/635259461.db2.gz LFBKPVOCLJQMRP-MNOVXSKESA-N 2 0 240.351 0.119 20 0 BCADRP COC[C@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000219293237 635274540 /nfs/dbraw/zinc/27/45/40/635274540.db2.gz SAIXYFPOHDTXJT-PSEXLTFBSA-N 2 0 242.363 0.599 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000236837854 635431169 /nfs/dbraw/zinc/43/11/69/635431169.db2.gz KKFLBUKPGRSWNC-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)C1C[NH2+]C1 ZINC000925832106 635471562 /nfs/dbraw/zinc/47/15/62/635471562.db2.gz QTDPEUFCDYBZKT-KQXIARHKSA-N 2 0 222.332 0.775 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000230063612 635480013 /nfs/dbraw/zinc/48/00/13/635480013.db2.gz YVSJVXKBBOTJBT-WDEREUQCSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]C[C@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000310276663 635483171 /nfs/dbraw/zinc/48/31/71/635483171.db2.gz OPLVBPYJYDAUGS-CHWSQXEVSA-N 2 0 241.379 0.114 20 0 BCADRP C(N[C@H]1C[NH2+]CCOC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840377 635504785 /nfs/dbraw/zinc/50/47/85/635504785.db2.gz VRYZRIXEACGFMR-YNEHKIRRSA-N 2 0 239.363 0.097 20 0 BCADRP C[C@H]([NH2+]CC[C@H]1CNC(=O)C1)[C@H]1CCC[NH2+]1 ZINC000925840338 635504868 /nfs/dbraw/zinc/50/48/68/635504868.db2.gz VDXZKOASDBRJKD-HBNTYKKESA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841968 635506068 /nfs/dbraw/zinc/50/60/68/635506068.db2.gz VDRRLWGSIDLMJK-YVECIDJPSA-N 2 0 223.364 0.988 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841967 635507218 /nfs/dbraw/zinc/50/72/18/635507218.db2.gz VDRRLWGSIDLMJK-WUHRBBMRSA-N 2 0 223.364 0.988 20 0 BCADRP CCOCCOCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000925875189 635597033 /nfs/dbraw/zinc/59/70/33/635597033.db2.gz QEBAHMTZGPCMBL-VXGBXAGGSA-N 2 0 230.352 0.899 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]CCO[C@H]1CCOC1 ZINC000925875159 635597567 /nfs/dbraw/zinc/59/75/67/635597567.db2.gz POYUFUZUFKOGET-NEPJUHHUSA-N 2 0 230.352 0.899 20 0 BCADRP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001022293536 631463465 /nfs/dbraw/zinc/46/34/65/631463465.db2.gz UJNMXMARYCDPEM-TUAOUCFPSA-N 2 0 239.363 0.727 20 0 BCADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCOC3)C[C@]2(C)C1 ZINC000933732687 631493752 /nfs/dbraw/zinc/49/37/52/631493752.db2.gz AUYUZCAKJMRLLM-XQQFMLRXSA-N 2 0 224.348 0.906 20 0 BCADRP COC[C@@H](C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)OC ZINC000933733589 631494264 /nfs/dbraw/zinc/49/42/64/631494264.db2.gz MQLHPKQFUZUHGS-YNEHKIRRSA-N 2 0 242.363 0.531 20 0 BCADRP OC[C@@H]1CC[NH+]1CCCCC[N@H+]1CC[C@H]1CO ZINC000934016096 631610132 /nfs/dbraw/zinc/61/01/32/631610132.db2.gz DYPOZGMMIXEUJK-STQMWFEESA-N 2 0 242.363 0.290 20 0 BCADRP C[N@@H+]1CCCC[C@H]1CCN1CC[C@@H]1CO ZINC000934028232 631625918 /nfs/dbraw/zinc/62/59/18/631625918.db2.gz YDWUSWKFKHCDDJ-NWDGAFQWSA-N 2 0 212.337 0.927 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCCC[NH2+]C1CC1 ZINC000891967800 631653364 /nfs/dbraw/zinc/65/33/64/631653364.db2.gz AVKCVJORSOALAC-VHSXEESVSA-N 2 0 240.351 0.260 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)C[NH2+]C ZINC000236844087 631684347 /nfs/dbraw/zinc/68/43/47/631684347.db2.gz WIMHOIGZKWBECA-UHFFFAOYSA-N 2 0 215.341 0.444 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000892089152 631725732 /nfs/dbraw/zinc/72/57/32/631725732.db2.gz PHRWFOHPVHVYPY-CHWFTXMASA-N 2 0 240.351 0.387 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000892088710 631726393 /nfs/dbraw/zinc/72/63/93/631726393.db2.gz MBDLSYIGLVKVPX-NXEZZACHSA-N 2 0 242.367 0.683 20 0 BCADRP C[N@@H+]1CCN(C(=O)NC/C=C\C[NH3+])CC1(C)C ZINC000892122362 631736307 /nfs/dbraw/zinc/73/63/07/631736307.db2.gz NHMKDYOSZXKTPP-PLNGDYQASA-N 2 0 240.351 0.237 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000892171365 631752872 /nfs/dbraw/zinc/75/28/72/631752872.db2.gz XWCSLRWXLQNAQO-GWOFURMSSA-N 2 0 240.351 0.150 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000892199294 631779909 /nfs/dbraw/zinc/77/99/09/631779909.db2.gz LWGOCPNJHOIXFA-OUAUKWLOSA-N 2 0 242.367 0.635 20 0 BCADRP [NH3+]CCCCCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892213210 631788687 /nfs/dbraw/zinc/78/86/87/631788687.db2.gz XMDHYXBHFQOCNC-XYPYZODXSA-N 2 0 242.367 0.542 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000892244201 631811124 /nfs/dbraw/zinc/81/11/24/631811124.db2.gz IBHKSCHRLZPSJK-NSHDSACASA-N 2 0 240.351 0.071 20 0 BCADRP CCOCC[NH2+]CC1CC[NH+](C)CC1 ZINC000044518037 631817178 /nfs/dbraw/zinc/81/71/78/631817178.db2.gz OCKWEXBGBKXTHE-UHFFFAOYSA-N 2 0 200.326 0.954 20 0 BCADRP C[C@H]1CC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309092666 631881077 /nfs/dbraw/zinc/88/10/77/631881077.db2.gz BSWIKIYXOOGHBO-QWRGUYRKSA-N 2 0 212.337 0.831 20 0 BCADRP CCNC(=[NH2+])NC[C@@H](C)[NH+]1CCCCC1 ZINC000052042782 632054566 /nfs/dbraw/zinc/05/45/66/632054566.db2.gz HDOCVXSOLAXWHI-SNVBAGLBSA-N 2 0 212.341 0.995 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000161553411 632080165 /nfs/dbraw/zinc/08/01/65/632080165.db2.gz UGNKCEHNNAZJSX-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP O=C(C[NH2+]CC1CC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877399231 635697527 /nfs/dbraw/zinc/69/75/27/635697527.db2.gz KVDDSPJAFMKYEO-YPMHNXCESA-N 2 0 237.347 0.387 20 0 BCADRP CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001022977056 632093451 /nfs/dbraw/zinc/09/34/51/632093451.db2.gz STANTNKPTYXGFE-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000251941066 635705940 /nfs/dbraw/zinc/70/59/40/635705940.db2.gz SMCCBDBBJSPTQV-SDDRHHMPSA-N 2 0 241.379 0.818 20 0 BCADRP CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023086555 632125503 /nfs/dbraw/zinc/12/55/03/632125503.db2.gz PELUPSZZGRUGHA-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH2+]CC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000309495693 632417268 /nfs/dbraw/zinc/41/72/68/632417268.db2.gz TXRXVEMFGDJLLQ-JTQLQIEISA-N 2 0 215.341 0.428 20 0 BCADRP CC(=O)N[C@@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000309482880 632418779 /nfs/dbraw/zinc/41/87/79/632418779.db2.gz XAVDCGNRPGQMSB-GFCCVEGCSA-N 2 0 227.352 0.716 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000130137142 632439512 /nfs/dbraw/zinc/43/95/12/632439512.db2.gz LOYYVRZOESWWCI-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])CCOC ZINC000052810349 632497579 /nfs/dbraw/zinc/49/75/79/632497579.db2.gz VQAXAQVUQMIJMN-NSHDSACASA-N 2 0 245.367 0.150 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)CCCCC[NH3+] ZINC000309004157 632614997 /nfs/dbraw/zinc/61/49/97/632614997.db2.gz PBXHMDXAJDCGMV-VIFPVBQESA-N 2 0 201.314 0.359 20 0 BCADRP CN(C[C@H]([NH3+])CC(F)F)C[C@H]1CCC[N@@H+]1C ZINC000309167654 632658970 /nfs/dbraw/zinc/65/89/70/632658970.db2.gz ABKNWAOSAUZZIC-NXEZZACHSA-N 2 0 235.322 0.995 20 0 BCADRP CNC(=O)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000051759127 632680207 /nfs/dbraw/zinc/68/02/07/632680207.db2.gz OQFCNCUGFMWNJY-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H](O)C[NH+]1CCCC1 ZINC000310279332 632713460 /nfs/dbraw/zinc/71/34/60/632713460.db2.gz PCOJZENSSAEQDE-XQQFMLRXSA-N 2 0 241.379 0.125 20 0 BCADRP OCCC[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000924536921 632769557 /nfs/dbraw/zinc/76/95/57/632769557.db2.gz VGXBASWNRSLZIG-VXGBXAGGSA-N 2 0 212.337 0.975 20 0 BCADRP CCCNC(=[NH2+])NCC[NH+](CC)CC ZINC000052040797 632778918 /nfs/dbraw/zinc/77/89/18/632778918.db2.gz CTVHNVCLHCIEIE-UHFFFAOYSA-N 2 0 200.330 0.852 20 0 BCADRP CC[NH+](CC)CCNC(=[NH2+])NC(C)C ZINC000052040798 632779580 /nfs/dbraw/zinc/77/95/80/632779580.db2.gz CSZNROZRZPHVST-UHFFFAOYSA-N 2 0 200.330 0.851 20 0 BCADRP CC[NH+](CC)CCCNC(=[NH2+])NC1CC1 ZINC000052041269 632780460 /nfs/dbraw/zinc/78/04/60/632780460.db2.gz UNEDEERUCUMUAQ-UHFFFAOYSA-N 2 0 212.341 0.995 20 0 BCADRP CCNC(=[NH2+])NCCC[NH+](CC)CC ZINC000052041263 632780476 /nfs/dbraw/zinc/78/04/76/632780476.db2.gz LUAUSLWPGOPCEE-UHFFFAOYSA-N 2 0 200.330 0.852 20 0 BCADRP CCCNC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 ZINC000052043907 632782297 /nfs/dbraw/zinc/78/22/97/632782297.db2.gz BAWCBTJQDWZQSJ-SNVBAGLBSA-N 2 0 212.341 0.852 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000066244986 632859721 /nfs/dbraw/zinc/85/97/21/632859721.db2.gz BPJWDSGUHUENHP-JTQLQIEISA-N 2 0 242.367 0.410 20 0 BCADRP CNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000066245131 632860379 /nfs/dbraw/zinc/86/03/79/632860379.db2.gz JPNCYLXYMSQVRV-SNVBAGLBSA-N 2 0 212.341 0.641 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000309338865 632948024 /nfs/dbraw/zinc/94/80/24/632948024.db2.gz KPCMBWGAQYPYKG-HBNTYKKESA-N 2 0 225.336 0.134 20 0 BCADRP C[C@@H](C[NH2+]C1CCN(C=O)CC1)C[NH+](C)C ZINC000309387637 633003539 /nfs/dbraw/zinc/00/35/39/633003539.db2.gz SWOLNUWBASNMQZ-NSHDSACASA-N 2 0 227.352 0.395 20 0 BCADRP CC1(C)C(=O)NCC[N@H+]1CCCCCC[NH3+] ZINC000309457376 633089078 /nfs/dbraw/zinc/08/90/78/633089078.db2.gz PXMJAEDBTYFULK-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP CNC(=O)[C@H]1CCC[N@@H+]1CCCCCC[NH3+] ZINC000309470710 633121753 /nfs/dbraw/zinc/12/17/53/633121753.db2.gz UDWBYSOZQYIEPB-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000062858083 633127275 /nfs/dbraw/zinc/12/72/75/633127275.db2.gz ZLBHXVKYBZPJQK-PWSUYJOCSA-N 2 0 227.352 0.442 20 0 BCADRP C[N@H+](CCNC(=O)[C@@]1(C)CCC[NH2+]C1)C1CC1 ZINC000062861460 633127858 /nfs/dbraw/zinc/12/78/58/633127858.db2.gz CMOPFQLSZLWRAR-ZDUSSCGKSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@@H](C)[NH3+])C1 ZINC000062972797 633163791 /nfs/dbraw/zinc/16/37/91/633163791.db2.gz BSTOOFSYWNNGAX-GHMZBOCLSA-N 2 0 227.352 0.666 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1C[C@H](O)C1 ZINC000926831754 633176382 /nfs/dbraw/zinc/17/63/82/633176382.db2.gz FGIUZEPBBXSZNC-POVTYCQASA-N 2 0 224.348 0.687 20 0 BCADRP C[C@H]1C[N@H+](CC(=O)N(C)C2CC2)CC[C@@H]1C[NH3+] ZINC000122291721 633187851 /nfs/dbraw/zinc/18/78/51/633187851.db2.gz BVRNVUKXYYMBLF-WDEREUQCSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC[NH+]1C ZINC000928431441 635916929 /nfs/dbraw/zinc/91/69/29/635916929.db2.gz NMDAGWNYOKTJLR-WRWGMCAJSA-N 2 0 239.363 0.535 20 0 BCADRP CC[N@H+](CC(=O)N[C@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC000928432222 635917875 /nfs/dbraw/zinc/91/78/75/635917875.db2.gz CNWHDPLHVZUMJC-PWSUYJOCSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)CNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000122297430 633198309 /nfs/dbraw/zinc/19/83/09/633198309.db2.gz AANNFPAGAOUKDM-VXGBXAGGSA-N 2 0 241.379 0.675 20 0 BCADRP C[C@@H]1[C@H](NC(=O)Cc2cncn2C)CC[N@@H+]1C ZINC000928434467 635929794 /nfs/dbraw/zinc/92/97/94/635929794.db2.gz DWFUJWSHWHEYLC-MWLCHTKSSA-N 2 0 236.319 0.171 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000928440029 635936428 /nfs/dbraw/zinc/93/64/28/635936428.db2.gz ZAHAJDMUYVZXPK-VWYCJHECSA-N 2 0 225.336 0.147 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1C ZINC000928453655 635996280 /nfs/dbraw/zinc/99/62/80/635996280.db2.gz YINPWHZUMJAXTA-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1C ZINC000928453662 635996330 /nfs/dbraw/zinc/99/63/30/635996330.db2.gz YINPWHZUMJAXTA-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2COCO2)CC1(C)C ZINC000894891065 636000341 /nfs/dbraw/zinc/00/03/41/636000341.db2.gz XWBBJIXOWATRQS-QWRGUYRKSA-N 2 0 228.336 0.822 20 0 BCADRP CCN(OC)C(=O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000895117334 636064274 /nfs/dbraw/zinc/06/42/74/636064274.db2.gz PQBCKMULJVLHIN-UHFFFAOYSA-N 2 0 243.351 0.328 20 0 BCADRP C[N@@H+]1CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000928554584 636090714 /nfs/dbraw/zinc/09/07/14/636090714.db2.gz QSCXPRBHUNHFNH-MNOVXSKESA-N 2 0 225.336 0.149 20 0 BCADRP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928561787 636106948 /nfs/dbraw/zinc/10/69/48/636106948.db2.gz FUOZSTBEHVWSRP-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP C[C@H](CCO)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328443337 633766220 /nfs/dbraw/zinc/76/62/20/633766220.db2.gz NDQWQKKUKCCYMR-JIMTYQMOSA-N 2 0 224.348 0.591 20 0 BCADRP CCOCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328551200 633774259 /nfs/dbraw/zinc/77/42/59/633774259.db2.gz TYKBYMNOVVAGGY-NWBUJAPZSA-N 2 0 224.348 0.999 20 0 BCADRP CC[NH+](CC)CCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328486745 633774460 /nfs/dbraw/zinc/77/44/60/633774460.db2.gz MHOMYYGGHDTECT-YHQUGGNUSA-N 2 0 237.391 0.914 20 0 BCADRP C[N@@H+]1CCC[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000328566307 633777142 /nfs/dbraw/zinc/77/71/42/633777142.db2.gz MPAZSTLPBCUMJX-ARSDKDGVSA-N 2 0 249.402 0.914 20 0 BCADRP CC(C)(O)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328574989 633779160 /nfs/dbraw/zinc/77/91/60/633779160.db2.gz XOBLCAMNPFNOJO-KKJSVHSVSA-N 2 0 224.348 0.733 20 0 BCADRP CC(C)S(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000309500235 633937924 /nfs/dbraw/zinc/93/79/24/633937924.db2.gz ZYRKBONZFHYFKH-GHMZBOCLSA-N 2 0 248.392 0.669 20 0 BCADRP C[C@H](O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309984565 634030054 /nfs/dbraw/zinc/03/00/54/634030054.db2.gz CAJJCKJMKDTWEV-XQQFMLRXSA-N 2 0 242.363 0.146 20 0 BCADRP COCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925558323 634033403 /nfs/dbraw/zinc/03/34/03/634033403.db2.gz SYWWMOKYMBSRQO-NWDGAFQWSA-N 2 0 241.379 0.437 20 0 BCADRP C(C1CC1)[N@@H+]1CC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925557681 634033681 /nfs/dbraw/zinc/03/36/81/634033681.db2.gz PXVRLAMLUDVDEG-OLZOCXBDSA-N 2 0 239.363 0.049 20 0 BCADRP CC[N@H+](CCN[C@@H]1C[NH2+]CCOC1)C1CC1 ZINC000925559987 634039319 /nfs/dbraw/zinc/03/93/19/634039319.db2.gz VTGTUCXCPNBOLL-LLVKDONJSA-N 2 0 227.352 0.049 20 0 BCADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CC[C@H]1[NH3+] ZINC000310319835 634117332 /nfs/dbraw/zinc/11/73/32/634117332.db2.gz YIHLLHNRSCLQBH-JHJVBQTASA-N 2 0 241.379 0.112 20 0 BCADRP C[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925611181 634150146 /nfs/dbraw/zinc/15/01/46/634150146.db2.gz BHCYVBVHHINFTB-BBBLOLIVSA-N 2 0 200.326 0.863 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCOC1 ZINC000925620862 634179103 /nfs/dbraw/zinc/17/91/03/634179103.db2.gz CRVDOHSCBOXFGP-UXGOBAPMSA-N 2 0 210.321 0.881 20 0 BCADRP CC(C)[C@@H](CO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925620743 634182283 /nfs/dbraw/zinc/18/22/83/634182283.db2.gz AGDGGYWRRHHOCG-DVWMECQTSA-N 2 0 224.348 0.589 20 0 BCADRP O[C@H]1CCCC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925646382 634201253 /nfs/dbraw/zinc/20/12/53/634201253.db2.gz UJEDKOMDFFPHFN-WWRXHXRLSA-N 2 0 236.359 0.876 20 0 BCADRP CC[NH+](CC)[C@H](C)CN[C@@H]1C[NH2+]CCOC1 ZINC000925661292 634226155 /nfs/dbraw/zinc/22/61/55/634226155.db2.gz CWVTYJMQGNSGGU-VXGBXAGGSA-N 2 0 229.368 0.295 20 0 BCADRP C[C@@H](C[NH+](C)C)N[C@H]1CC[NH2+]C12CCC2 ZINC000925672045 634255557 /nfs/dbraw/zinc/25/55/57/634255557.db2.gz GIJSKFPXRCAZOR-QWRGUYRKSA-N 2 0 211.353 0.811 20 0 BCADRP C[C@@H](C[NH+](C)C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925672046 634256089 /nfs/dbraw/zinc/25/60/89/634256089.db2.gz GIJSKFPXRCAZOR-WDEREUQCSA-N 2 0 211.353 0.811 20 0 BCADRP Cn1nncc1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925674609 634259119 /nfs/dbraw/zinc/25/91/19/634259119.db2.gz SJQWVZNEXPEPTE-UWVGGRQHSA-N 2 0 237.351 0.811 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000925686072 634296861 /nfs/dbraw/zinc/29/68/61/634296861.db2.gz QZVIBXZKRYCGIP-AEJSXWLSSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@]1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CCC(=O)N1 ZINC000925685453 634298920 /nfs/dbraw/zinc/29/89/20/634298920.db2.gz NKCVFBUGDZPUEO-JBLDHEPKSA-N 2 0 237.347 0.515 20 0 BCADRP C1[NH2+][C@H]2[C@H](N[C@@H]3CCC[NH2+]C3)[C@H]3C[C@H]1[C@@H]2C3 ZINC000925688788 634307277 /nfs/dbraw/zinc/30/72/77/634307277.db2.gz FQGSPPAARJIYNN-JSAZDUPASA-N 2 0 221.348 0.324 20 0 BCADRP C[C@@H]([NH3+])[C@H](NC1C[NH2+]C1)c1ccccc1 ZINC000925690505 634313959 /nfs/dbraw/zinc/31/39/59/634313959.db2.gz GPVIGSLOTPOGIK-SKDRFNHKSA-N 2 0 205.305 0.636 20 0 BCADRP C[C@H]([NH3+])CCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925690916 634314709 /nfs/dbraw/zinc/31/47/09/634314709.db2.gz IDXKSNWKFCAKEH-DCHHYWPUSA-N 2 0 209.337 0.310 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CCC[NH2+]C1)[NH2+]2 ZINC000925691941 634322999 /nfs/dbraw/zinc/32/29/99/634322999.db2.gz NQQPCDDRZNTCEB-NZEXEKPDSA-N 2 0 223.364 0.857 20 0 BCADRP C[NH2+]CCN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925692602 634326125 /nfs/dbraw/zinc/32/61/25/634326125.db2.gz NEQNXSHODUYFQN-JQWIXIFHSA-N 2 0 207.321 0.884 20 0 BCADRP CC(C)[C@H]([NH3+])CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925693632 634330109 /nfs/dbraw/zinc/33/01/09/634330109.db2.gz PZZHVNFHAFGYKX-NFXCPBFJSA-N 2 0 223.364 0.556 20 0 BCADRP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCCC[NH2+]2)C12CCC2 ZINC000925694097 634332137 /nfs/dbraw/zinc/33/21/37/634332137.db2.gz QSVORVHZDCPRBI-QJPTWQEYSA-N 2 0 223.364 0.988 20 0 BCADRP CC(C)[C@H]([NH3+])CN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925695715 634348373 /nfs/dbraw/zinc/34/83/73/634348373.db2.gz WCXFKBZKSHWWGR-MXWKQRLJSA-N 2 0 211.353 0.829 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925696207 634353265 /nfs/dbraw/zinc/35/32/65/634353265.db2.gz YCFQDENEAHNUGM-YFKTTZPYSA-N 2 0 223.364 0.973 20 0 BCADRP CC[NH2+]CCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925696235 634353300 /nfs/dbraw/zinc/35/33/00/634353300.db2.gz YKZIDMJXMACWKF-NGDQXYMTSA-N 2 0 209.337 0.182 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000925696226 634353381 /nfs/dbraw/zinc/35/33/81/634353381.db2.gz YIJVVUVJCQAZHR-SDDRHHMPSA-N 2 0 211.353 0.859 20 0 BCADRP CC1(C)[C@@H](NC[C@H]2CC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925696952 634357124 /nfs/dbraw/zinc/35/71/24/634357124.db2.gz CDQHNHQESCKAJB-RNJOBUHISA-N 2 0 237.391 0.962 20 0 BCADRP CC1(C)[C@H](NC[C@H]2CC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925696951 634357775 /nfs/dbraw/zinc/35/77/75/634357775.db2.gz CDQHNHQESCKAJB-QNWHQSFQSA-N 2 0 237.391 0.962 20 0 BCADRP CC1(C)[C@@H](NC[C@@H]2CC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925696950 634358609 /nfs/dbraw/zinc/35/86/09/634358609.db2.gz CDQHNHQESCKAJB-NDBYEHHHSA-N 2 0 237.391 0.962 20 0 BCADRP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925697243 634358922 /nfs/dbraw/zinc/35/89/22/634358922.db2.gz WITAMXZYTZREHN-HNLCEGNFSA-N 2 0 222.332 0.486 20 0 BCADRP C1=C(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC[NH2+]C1 ZINC000925698621 634365188 /nfs/dbraw/zinc/36/51/88/634365188.db2.gz LAAITPCJZCSTTL-QSLWVIQJSA-N 2 0 233.359 0.492 20 0 BCADRP [NH3+][C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)C1CC1 ZINC000925698525 634365489 /nfs/dbraw/zinc/36/54/89/634365489.db2.gz KJDBODPBTOELHE-MXWKQRLJSA-N 2 0 209.337 0.583 20 0 BCADRP CC1(C)[C@H](NCC2C[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925699046 634366767 /nfs/dbraw/zinc/36/67/67/634366767.db2.gz MPXOWNFMHQBTCR-GRYCIOLGSA-N 2 0 223.364 0.572 20 0 BCADRP C[C@@H]1C[C@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC[NH2+]1 ZINC000925698956 634366683 /nfs/dbraw/zinc/36/66/83/634366683.db2.gz HYSHNWFDFWKEAC-BWALOOPLSA-N 2 0 235.375 0.713 20 0 BCADRP C[C@]1(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCC[NH2+]C1 ZINC000925699338 634366719 /nfs/dbraw/zinc/36/67/19/634366719.db2.gz OEADKGSOBZTILF-QAIIKZMUSA-N 2 0 249.402 0.962 20 0 BCADRP C[NH2+][C@H](C)CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925700730 634372236 /nfs/dbraw/zinc/37/22/36/634372236.db2.gz SBHOQGSOGUFIQL-AYAQEJOPSA-N 2 0 209.337 0.180 20 0 BCADRP [NH3+]C[C@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000258430169 635148362 /nfs/dbraw/zinc/14/83/62/635148362.db2.gz GZQNVTTWNSZKQA-KGLIPLIRSA-N 2 0 234.343 0.871 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424030636 635153525 /nfs/dbraw/zinc/15/35/25/635153525.db2.gz RGYCXUQRRDVROR-GVXVVHGQSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH2+]CC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000258616330 635172507 /nfs/dbraw/zinc/17/25/07/635172507.db2.gz BLDYZNRRPTYKFP-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000925769068 635190406 /nfs/dbraw/zinc/19/04/06/635190406.db2.gz XYLCYGTVGQLEQV-YFKTTZPYSA-N 2 0 230.352 0.632 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000925769056 635193332 /nfs/dbraw/zinc/19/33/32/635193332.db2.gz XYLCYGTVGQLEQV-BJDJZHNGSA-N 2 0 230.352 0.632 20 0 BCADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)[C@@H](C)C[NH2+]1 ZINC000310139584 635201004 /nfs/dbraw/zinc/20/10/04/635201004.db2.gz JUYKVZCFQSCQNA-FRRDWIJNSA-N 2 0 241.379 0.125 20 0 BCADRP COC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)[C@H]1CCCOC1 ZINC000925777830 635261100 /nfs/dbraw/zinc/26/11/00/635261100.db2.gz HJPLSCDAVSIIIZ-MDZLAQPJSA-N 2 0 242.363 0.626 20 0 BCADRP COC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)[C@H]1CCCOC1 ZINC000925777827 635261720 /nfs/dbraw/zinc/26/17/20/635261720.db2.gz HJPLSCDAVSIIIZ-GVXVVHGQSA-N 2 0 242.363 0.626 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925782069 635275031 /nfs/dbraw/zinc/27/50/31/635275031.db2.gz ZWIKBLJGWKIIIK-IJLUTSLNSA-N 2 0 223.364 0.859 20 0 BCADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ncc[nH]1 ZINC000925809825 635364890 /nfs/dbraw/zinc/36/48/90/635364890.db2.gz AGIVDZRLJOYDPA-SNVBAGLBSA-N 2 0 237.351 0.483 20 0 BCADRP C[C@@H]1OCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816133 635383917 /nfs/dbraw/zinc/38/39/17/635383917.db2.gz VQZMRHLPAPXVQQ-JQWIXIFHSA-N 2 0 227.352 0.177 20 0 BCADRP CCCNC(=[NH2+])NCC[N@H+](C)C(C)C ZINC000054108814 635389921 /nfs/dbraw/zinc/38/99/21/635389921.db2.gz FRJQPMGDAJANSG-UHFFFAOYSA-N 2 0 200.330 0.851 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH3+])[C@@H](C)C1 ZINC000236848096 635474246 /nfs/dbraw/zinc/47/42/46/635474246.db2.gz ALVRUZXYEHKMES-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000036190214 635495482 /nfs/dbraw/zinc/49/54/82/635495482.db2.gz RGAJIRPQYDVLOJ-GFCCVEGCSA-N 2 0 211.353 0.764 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CNOC2)[C@H]2CCC[C@H]21 ZINC000925859216 635553116 /nfs/dbraw/zinc/55/31/16/635553116.db2.gz GGQOSDDEPYNHRY-WISYIIOYSA-N 2 0 225.336 0.352 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000925873441 635590785 /nfs/dbraw/zinc/59/07/85/635590785.db2.gz AGECSNLSFRENNH-AGIUHOORSA-N 2 0 242.363 0.770 20 0 BCADRP Cn1nnc2c1C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000925892851 635618060 /nfs/dbraw/zinc/61/80/60/635618060.db2.gz GMJBEVNFVFIIDS-OUAUKWLOSA-N 2 0 249.362 0.532 20 0 BCADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1nncn1C ZINC000054241571 636237466 /nfs/dbraw/zinc/23/74/66/636237466.db2.gz JUJWZGCHWLHPFB-SNVBAGLBSA-N 2 0 237.351 0.808 20 0 BCADRP C[NH+]1CCC(C[NH2+]CCn2ccnc2)CC1 ZINC000054243531 636242773 /nfs/dbraw/zinc/24/27/73/636242773.db2.gz WCAWAPKJFYBNHS-UHFFFAOYSA-N 2 0 222.336 0.815 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000870852969 636381926 /nfs/dbraw/zinc/38/19/26/636381926.db2.gz PQAYMOXSVCUVJF-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000870852970 636382127 /nfs/dbraw/zinc/38/21/27/636382127.db2.gz PQAYMOXSVCUVJF-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870912510 636382195 /nfs/dbraw/zinc/38/21/95/636382195.db2.gz GYQLYPYOHXQHKN-YHMTXAQFSA-N 2 0 237.347 0.323 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000870934580 636383932 /nfs/dbraw/zinc/38/39/32/636383932.db2.gz CAZSDDIUYZAMGD-AXFHLTTASA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870936600 636384095 /nfs/dbraw/zinc/38/40/95/636384095.db2.gz AACOPPRQCBFHKE-KYZUINATSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]1CN(C(=O)CC[NH2+]CC2CC2)C[C@H](C)[NH2+]1 ZINC000870936759 636384862 /nfs/dbraw/zinc/38/48/62/636384862.db2.gz OMSHWBXUXNYFRS-PHIMTYICSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)C[C@@H](CNC(=O)[C@H](C)C[NH3+])[NH+](C)C ZINC000054343997 636427848 /nfs/dbraw/zinc/42/78/48/636427848.db2.gz GZNWZQOXDBWPGW-MNOVXSKESA-N 2 0 229.368 0.674 20 0 BCADRP C[NH2+]CCNC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000841724593 636611306 /nfs/dbraw/zinc/61/13/06/636611306.db2.gz GVHWDSTVVOIHKZ-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC000989796983 636881762 /nfs/dbraw/zinc/88/17/62/636881762.db2.gz UPXWBVNECDUPDL-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC000989796984 636881846 /nfs/dbraw/zinc/88/18/46/636881846.db2.gz UPXWBVNECDUPDL-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP CCON1CCC([NH2+]CCC[NH+](C)C)CC1 ZINC000323225553 636906866 /nfs/dbraw/zinc/90/68/66/636906866.db2.gz ZKNSDLIJFPUXMA-UHFFFAOYSA-N 2 0 229.368 0.944 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000089743285 636908744 /nfs/dbraw/zinc/90/87/44/636908744.db2.gz YOOMDHDSAXCHAO-NWDGAFQWSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000866701341 636932106 /nfs/dbraw/zinc/93/21/06/636932106.db2.gz JLUOOWSTFWBSPY-FRRDWIJNSA-N 2 0 224.348 0.855 20 0 BCADRP CC[C@H]1COC[C@@H]1[NH2+]CCC[N@H+](C)CCOC ZINC000924654098 636977438 /nfs/dbraw/zinc/97/74/38/636977438.db2.gz OZMNWPAOMLGCOL-STQMWFEESA-N 2 0 244.379 0.969 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000042491210 637273178 /nfs/dbraw/zinc/27/31/78/637273178.db2.gz DWPJVDSOPCSUIQ-LLVKDONJSA-N 2 0 209.337 0.518 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCCOCCO)C1 ZINC000902368674 637296219 /nfs/dbraw/zinc/29/62/19/637296219.db2.gz HKHZFYNSAGTGKW-LBPRGKRZSA-N 2 0 244.379 0.753 20 0 BCADRP CCN(C)C(=O)CCN1CCCC[C@H]1C[NH2+]C ZINC000903529047 637367361 /nfs/dbraw/zinc/36/73/61/637367361.db2.gz FCMFCFOHYOKKCP-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CC[N@H+](CCCCCC[NH3+])CCC(N)=O ZINC000903577769 637372942 /nfs/dbraw/zinc/37/29/42/637372942.db2.gz VXVNLYMCOOGMPG-UHFFFAOYSA-N 2 0 215.341 0.703 20 0 BCADRP CC[N@@H+](CCC(N)=O)CC[C@H]1CCC[NH2+]C1 ZINC000903577585 637374132 /nfs/dbraw/zinc/37/41/32/637374132.db2.gz OMATUBILIHTJKV-LLVKDONJSA-N 2 0 227.352 0.573 20 0 BCADRP COCC[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722885 637378335 /nfs/dbraw/zinc/37/83/35/637378335.db2.gz FCKABJYDNAMZSL-RYUDHWBXSA-N 2 0 228.336 0.333 20 0 BCADRP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCCOCC1 ZINC000903722922 637379825 /nfs/dbraw/zinc/37/98/25/637379825.db2.gz QQFFHVIADWKXFK-CHWSQXEVSA-N 2 0 240.347 0.477 20 0 BCADRP Cc1cc(C)nc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000903787793 637382813 /nfs/dbraw/zinc/38/28/13/637382813.db2.gz ZNYLLFJQPLYVIR-UHFFFAOYSA-N 2 0 248.374 0.693 20 0 BCADRP COCCC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818323 637386306 /nfs/dbraw/zinc/38/63/06/637386306.db2.gz GSNVUQJNECJHPG-UHFFFAOYSA-N 2 0 242.363 0.867 20 0 BCADRP Oc1cncc(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000904433682 637400625 /nfs/dbraw/zinc/40/06/25/637400625.db2.gz PMBLLSCSZQGKOE-UHFFFAOYSA-N 2 0 221.304 0.876 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1NC[C@]12C[C@H]1C[NH2+]C2 ZINC000904462535 637406409 /nfs/dbraw/zinc/40/64/09/637406409.db2.gz VJRNZPVKHPVXHM-JBLDHEPKSA-N 2 0 209.337 0.184 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000904461857 637406536 /nfs/dbraw/zinc/40/65/36/637406536.db2.gz PENQEQQQJHGCHV-SQLBVSGCSA-N 2 0 209.337 0.326 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1NC[C@H]([NH3+])CC(F)F ZINC000904462268 637406574 /nfs/dbraw/zinc/40/65/74/637406574.db2.gz SMRXLMAWZFXPDS-SFYZADRCSA-N 2 0 221.295 0.557 20 0 BCADRP [NH3+]C1(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000904443664 637411783 /nfs/dbraw/zinc/41/17/83/637411783.db2.gz MLLFMQWTFMBVMJ-FGWVZKOKSA-N 3 0 209.337 0.598 20 0 BCADRP [NH3+]C1(CNC2CC[NH+](CC3CC3)CC2)CC1 ZINC000904444310 637414388 /nfs/dbraw/zinc/41/43/88/637414388.db2.gz QAEKYSBNSOFYRP-UHFFFAOYSA-N 2 0 223.364 0.942 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1NC[C@@]1(C)CC[NH2+]C1 ZINC000904461197 637420860 /nfs/dbraw/zinc/42/08/60/637420860.db2.gz GRVRWKCWQJKWPA-JQWIXIFHSA-N 2 0 211.353 0.574 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN[C@H]1C[NH2+]CC1(C)C ZINC000904460895 637421446 /nfs/dbraw/zinc/42/14/46/637421446.db2.gz BHMRHPCSSOTEHH-MNOVXSKESA-N 2 0 213.369 0.947 20 0 BCADRP CC(C)([NH3+])C[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000904469449 637422830 /nfs/dbraw/zinc/42/28/30/637422830.db2.gz MPIYJUCBTBJCLW-CABZTGNLSA-N 2 0 225.336 0.311 20 0 BCADRP C[C@]1([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCNC1=O ZINC000904470492 637423798 /nfs/dbraw/zinc/42/37/98/637423798.db2.gz YCVZGUPGHVHINP-UIFQDHKGSA-N 2 0 237.347 0.385 20 0 BCADRP C[NH+](C)CCn1cc(-c2c[nH+]ccc2N)cn1 ZINC000904764985 637475061 /nfs/dbraw/zinc/47/50/61/637475061.db2.gz CEAQQBQURRVKNZ-UHFFFAOYSA-N 2 0 231.303 0.919 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(C)(C)[NH3+] ZINC000904924909 637529570 /nfs/dbraw/zinc/52/95/70/637529570.db2.gz AMYNFAXZIDBDFF-QMMMGPOBSA-N 2 0 201.314 0.213 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000904928931 637532203 /nfs/dbraw/zinc/53/22/03/637532203.db2.gz OGRJFLMGMMARJI-WCQYABFASA-N 2 0 239.363 0.857 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N(C)C1(C[NH3+])CCC1 ZINC000904930700 637534052 /nfs/dbraw/zinc/53/40/52/637534052.db2.gz GUULHZGCGTVSNW-LLVKDONJSA-N 2 0 227.352 0.844 20 0 BCADRP C[C@@H](Cn1ccnc1)[NH2+]C[C@@](C)(O)C(F)F ZINC000905047985 637566449 /nfs/dbraw/zinc/56/64/49/637566449.db2.gz WDTGHLNPDTUADJ-WCBMZHEXSA-N 2 0 233.262 0.877 20 0 BCADRP CC(C)N(C)Cc1cn(CC2C[NH2+]C2)nn1 ZINC000905059848 637590405 /nfs/dbraw/zinc/59/04/05/637590405.db2.gz XHJREORCFCGYAB-UHFFFAOYSA-N 2 0 223.324 0.338 20 0 BCADRP CC(C)N(C)Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000905059524 637591887 /nfs/dbraw/zinc/59/18/87/637591887.db2.gz UNGFUFPBALUGNB-NSHDSACASA-N 2 0 237.351 0.870 20 0 BCADRP C[NH+](C)CCn1cc(CSCC[NH3+])nn1 ZINC000905061688 637595410 /nfs/dbraw/zinc/59/54/10/637595410.db2.gz KCWIBMIIAGLMGK-UHFFFAOYSA-N 2 0 229.353 0.032 20 0 BCADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905109383 637615545 /nfs/dbraw/zinc/61/55/45/637615545.db2.gz BXPWIGCYNSGZFV-WDEREUQCSA-N 2 0 230.352 0.192 20 0 BCADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905109391 637616267 /nfs/dbraw/zinc/61/62/67/637616267.db2.gz CBWJURDAKXEMDT-NWDGAFQWSA-N 2 0 244.379 0.582 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=S)NCC[NH+](C)C ZINC000905547744 637851751 /nfs/dbraw/zinc/85/17/51/637851751.db2.gz IRXTYCLDOTVPBD-JTQLQIEISA-N 2 0 244.408 0.106 20 0 BCADRP O[C@H](C[NH2+]CC[C@@H](O)C1CC1)C[NH+]1CCCC1 ZINC000905691793 637883945 /nfs/dbraw/zinc/88/39/45/637883945.db2.gz ODDSQNDYJJRMEM-CHWSQXEVSA-N 2 0 242.363 0.194 20 0 BCADRP CC(C)[NH2+]Cc1cn(CC2CC[NH2+]CC2)nn1 ZINC000905816721 637943945 /nfs/dbraw/zinc/94/39/45/637943945.db2.gz SCABGZQRGPTGIP-UHFFFAOYSA-N 2 0 237.351 0.776 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000906091314 638049430 /nfs/dbraw/zinc/04/94/30/638049430.db2.gz CJBNMXFCDQRIMV-SDDRHHMPSA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000906092266 638050513 /nfs/dbraw/zinc/05/05/13/638050513.db2.gz XPHQHITVLCMUMU-IJLUTSLNSA-N 2 0 241.379 0.803 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000906092310 638051508 /nfs/dbraw/zinc/05/15/08/638051508.db2.gz KURLBDPVAZLQPB-IJLUTSLNSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)c1cc(C[NH3+])ccn1 ZINC000906226521 638119763 /nfs/dbraw/zinc/11/97/63/638119763.db2.gz CNIFDISFLBFFDH-GXSJLCMTSA-N 2 0 248.330 0.501 20 0 BCADRP [NH3+]C1CC(NCc2cnc3ccccn23)C1 ZINC000906509588 638182352 /nfs/dbraw/zinc/18/23/52/638182352.db2.gz KTMBDSLRAOOPQV-UHFFFAOYSA-N 2 0 216.288 0.914 20 0 BCADRP [NH3+]Cc1ccc(C[NH2+]C2CC([NH3+])C2)cc1 ZINC000906511063 638183197 /nfs/dbraw/zinc/18/31/97/638183197.db2.gz RPMISCDVHIEZNP-UHFFFAOYSA-N 3 0 205.305 0.725 20 0 BCADRP [NH3+][C@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000906517592 638188026 /nfs/dbraw/zinc/18/80/26/638188026.db2.gz IBJBOIAAYDHPEH-PJSNJIKXSA-N 2 0 223.364 0.986 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC000908195409 638600704 /nfs/dbraw/zinc/60/07/04/638600704.db2.gz OEHHGQJBUHWOSE-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000043605470 638647563 /nfs/dbraw/zinc/64/75/63/638647563.db2.gz CMNZQZVFOQBWFM-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000910472394 639464479 /nfs/dbraw/zinc/46/44/79/639464479.db2.gz KWTQUBHDTRHNGD-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)(C[NH3+])CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000911621760 639682595 /nfs/dbraw/zinc/68/25/95/639682595.db2.gz APMPVDJYVXVYHL-VIFPVBQESA-N 2 0 213.325 0.311 20 0 BCADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)N1CCC([NH3+])CC1 ZINC000911619484 639682914 /nfs/dbraw/zinc/68/29/14/639682914.db2.gz IYONNGIUEHHUFW-KOLCDFICSA-N 2 0 227.352 0.700 20 0 BCADRP [NH3+]CCNC(=O)[C@H]1CCCCC12CC[NH2+]CC2 ZINC000911621765 639683700 /nfs/dbraw/zinc/68/37/00/639683700.db2.gz AQODIUAAONFXSA-LLVKDONJSA-N 2 0 239.363 0.621 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NC1CC[NH2+]CC1 ZINC000911629134 639689278 /nfs/dbraw/zinc/68/92/78/639689278.db2.gz TVSLYLIYZHCYDJ-NXEZZACHSA-N 2 0 225.336 0.100 20 0 BCADRP [NH3+]CCNC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC000911630193 639689434 /nfs/dbraw/zinc/68/94/34/639689434.db2.gz QAQBFKKXCPLOTL-SNVBAGLBSA-N 2 0 213.325 0.359 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000911629136 639690030 /nfs/dbraw/zinc/69/00/30/639690030.db2.gz TZOSKKMNGVDRPD-ZDUSSCGKSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC000911670368 639697378 /nfs/dbraw/zinc/69/73/78/639697378.db2.gz KNPLWYDEBWSCFV-PWSUYJOCSA-N 2 0 241.379 0.947 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000911670658 639697594 /nfs/dbraw/zinc/69/75/94/639697594.db2.gz OZLFMOAZAASKHW-NEPJUHHUSA-N 2 0 239.363 0.701 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911672396 639698521 /nfs/dbraw/zinc/69/85/21/639698521.db2.gz DNNVXMWGYUINPT-DCAQKATOSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH3+] ZINC000911647490 639701072 /nfs/dbraw/zinc/70/10/72/639701072.db2.gz DIBLJYSNGNRBRO-JTQLQIEISA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CC[NH2+]CC1 ZINC000911647322 639702266 /nfs/dbraw/zinc/70/22/66/639702266.db2.gz ZZEMEVBEWABLIZ-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C[C@@H]([NH3+])CCSC)C1 ZINC000911657050 639714000 /nfs/dbraw/zinc/71/40/00/639714000.db2.gz RLJPYKMENXSHIT-UWVGGRQHSA-N 2 0 245.392 0.277 20 0 BCADRP C[NH2+]CCCNC(=O)C1=CCC[NH2+]CC1 ZINC000911676131 639716776 /nfs/dbraw/zinc/71/67/76/639716776.db2.gz HIFOFTIPGWZIHX-UHFFFAOYSA-N 2 0 211.309 0.022 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])C1 ZINC000911686221 639723590 /nfs/dbraw/zinc/72/35/90/639723590.db2.gz YRYGAVKWGYWSJK-HBIQZDMRSA-N 2 0 239.363 0.713 20 0 BCADRP CC[NH2+]CCCNC(=O)CC1CC([NH3+])C1 ZINC000911685268 639725643 /nfs/dbraw/zinc/72/56/43/639725643.db2.gz MUMYKAXXJZDLBS-UHFFFAOYSA-N 2 0 213.325 0.230 20 0 BCADRP CC[NH2+]CCCNC(=O)C1([NH2+]C)CCC1 ZINC000911685590 639726455 /nfs/dbraw/zinc/72/64/55/639726455.db2.gz RVUNPDHXYOCZEY-UHFFFAOYSA-N 2 0 213.325 0.244 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]([NH3+])C[C@H](C)CC ZINC000911688991 639727831 /nfs/dbraw/zinc/72/78/31/639727831.db2.gz XVILUTATHHMGNJ-MNOVXSKESA-N 2 0 229.368 0.866 20 0 BCADRP CN(C(=O)CC(C)(C)C[NH3+])C1CC[NH2+]CC1 ZINC000911692773 639728926 /nfs/dbraw/zinc/72/89/26/639728926.db2.gz WWJOLLZZQHTNKL-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N(C)C1CC[NH2+]CC1 ZINC000911693829 639730768 /nfs/dbraw/zinc/73/07/68/639730768.db2.gz OVNIQBWQRYDSGO-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000911698421 639733659 /nfs/dbraw/zinc/73/36/59/639733659.db2.gz HFXHPNBQTPDTNK-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911712841 639739529 /nfs/dbraw/zinc/73/95/29/639739529.db2.gz DTHKKDDJFQOUJQ-WISYIIOYSA-N 2 0 237.347 0.100 20 0 BCADRP O=C(NC[C@H]1CCCC[NH2+]1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911713858 639739556 /nfs/dbraw/zinc/73/95/56/639739556.db2.gz LFPNMGIWJQTTCD-LOWVWBTDSA-N 2 0 237.347 0.244 20 0 BCADRP [NH3+][C@@H]1C[C@H](C(=O)NC[C@@H]2CCCC[NH2+]2)[C@H]2C[C@H]21 ZINC000911714106 639740060 /nfs/dbraw/zinc/74/00/60/639740060.db2.gz NTVMVRGGZQGAAY-HHHUOAJASA-N 2 0 237.347 0.228 20 0 BCADRP C[NH2+]C1(C(=O)NC[C@H]2CCCC[NH2+]2)CCC1 ZINC000911714366 639740205 /nfs/dbraw/zinc/74/02/05/639740205.db2.gz PLAOZTZOBXQCFY-SNVBAGLBSA-N 2 0 225.336 0.387 20 0 BCADRP CC(C)(C[NH3+])CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911714601 639741441 /nfs/dbraw/zinc/74/14/41/639741441.db2.gz QZNPRQBJUUCREH-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H](NC(=O)C1([NH+](C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000911719717 639742890 /nfs/dbraw/zinc/74/28/90/639742890.db2.gz OASJOTGJEIYWJC-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](NC(=O)CC1CC([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000911721217 639743515 /nfs/dbraw/zinc/74/35/15/639743515.db2.gz UJPYWAUBUTWVET-UZEXVOJHSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CC[NH2+]C[C@H]1C ZINC000911723488 639748301 /nfs/dbraw/zinc/74/83/01/639748301.db2.gz DSVXFUDEXNEXIF-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911705741 639757509 /nfs/dbraw/zinc/75/75/09/639757509.db2.gz BVYCLPVAPIIILV-WHOHXGKFSA-N 2 0 237.347 0.039 20 0 BCADRP C[NH2+]C1(C(=O)NC[C@@H]2CCC[NH2+]C2)CCC1 ZINC000911703610 639758035 /nfs/dbraw/zinc/75/80/35/639758035.db2.gz GXWDMDFCQBUZNR-SNVBAGLBSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+]C1(C(=O)N2CCC[C@@H](C[NH3+])C2)CCC1 ZINC000911707127 639759405 /nfs/dbraw/zinc/75/94/05/639759405.db2.gz KINSAHPJZGGDFK-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911707609 639760181 /nfs/dbraw/zinc/76/01/81/639760181.db2.gz NYPLADNZZQPHLR-TUAOUCFPSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000911707142 639760710 /nfs/dbraw/zinc/76/07/10/639760710.db2.gz KVKUFIOKRXHPHM-MNOVXSKESA-N 2 0 241.379 0.947 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C1 ZINC000911708005 639760937 /nfs/dbraw/zinc/76/09/37/639760937.db2.gz RXSNSHDIVZDHLR-WZRBSPASSA-N 2 0 237.347 0.326 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)CC2CC([NH3+])C2)C1 ZINC000911736071 639762437 /nfs/dbraw/zinc/76/24/37/639762437.db2.gz HFLVVHAMMUMBPA-ILDUYXDCSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C2([NH2+]C)CCC2)C1 ZINC000911736816 639762714 /nfs/dbraw/zinc/76/27/14/639762714.db2.gz OMPLDTWJCCXXPK-JTQLQIEISA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C2=CCC[NH2+]CC2)C1 ZINC000911736286 639763120 /nfs/dbraw/zinc/76/31/20/639763120.db2.gz KJOKAOFLPDSBBG-GFCCVEGCSA-N 2 0 237.347 0.507 20 0 BCADRP [NH3+]CCc1ccc(CNC(=O)[C@@H]2C[C@@H]2C[NH3+])cc1 ZINC000911734915 639763223 /nfs/dbraw/zinc/76/32/23/639763223.db2.gz RFVTYOWXYZFJQJ-CHWSQXEVSA-N 2 0 247.342 0.399 20 0 BCADRP CC(C)(C[NH3+])CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000911738890 639763685 /nfs/dbraw/zinc/76/36/85/639763685.db2.gz NJTVITIFCRSEDR-SECBINFHSA-N 2 0 213.325 0.169 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000911737514 639764673 /nfs/dbraw/zinc/76/46/73/639764673.db2.gz BBXUHHUVMXULLB-ZJUUUORDSA-N 2 0 227.352 0.557 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@]23CC[NH2+][C@H]2CCCC3)C1 ZINC000911739490 639767371 /nfs/dbraw/zinc/76/73/71/639767371.db2.gz WSOAQMBTEWNUDM-GMXVVIOVSA-N 2 0 237.347 0.468 20 0 BCADRP C[NH2+]CCNC(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911749066 639776064 /nfs/dbraw/zinc/77/60/64/639776064.db2.gz VYBCOQJZNFZUBV-QMMMGPOBSA-N 2 0 201.314 0.086 20 0 BCADRP CC[NH2+]CCNC(=O)c1ccc2c(n1)C[NH2+]CC2 ZINC000911751015 639777015 /nfs/dbraw/zinc/77/70/15/639777015.db2.gz SKFCEMVILJXEKN-UHFFFAOYSA-N 2 0 248.330 0.067 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000911753715 639782370 /nfs/dbraw/zinc/78/23/70/639782370.db2.gz FLGPLJYGZAUQMD-VHSXEESVSA-N 2 0 245.392 0.325 20 0 BCADRP C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000911754798 639784783 /nfs/dbraw/zinc/78/47/83/639784783.db2.gz OMASRZLDCOJVRH-MXWKQRLJSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC000911754314 639784979 /nfs/dbraw/zinc/78/49/79/639784979.db2.gz UPSXUMGIXGAAIG-JMJZKYOTSA-N 2 0 225.336 0.167 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C12CC(C1)C[NH2+]2 ZINC000911762555 639789419 /nfs/dbraw/zinc/78/94/19/639789419.db2.gz QCXVOTNXTOCFPK-UHFFFAOYSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH+](C)C1(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000911764634 639790308 /nfs/dbraw/zinc/79/03/08/639790308.db2.gz NHPOGINBYMNNGS-GFCCVEGCSA-N 2 0 247.342 0.897 20 0 BCADRP CCCN(C(=O)CCCC[NH2+]C)[C@H]1CC[NH2+]C1 ZINC000911769815 639793066 /nfs/dbraw/zinc/79/30/66/639793066.db2.gz YCSHOHWGUONMQI-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911774035 639794943 /nfs/dbraw/zinc/79/49/43/639794943.db2.gz GLOCPVCUSMBCMM-IJLUTSLNSA-N 2 0 239.363 0.348 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911774439 639796012 /nfs/dbraw/zinc/79/60/12/639796012.db2.gz ICRQXSQWUXOSGI-RYUDHWBXSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)CC(C)(C)C[NH3+])C1 ZINC000911773632 639796597 /nfs/dbraw/zinc/79/65/97/639796597.db2.gz FIAQBJNRFLCOGW-JTQLQIEISA-N 2 0 227.352 0.429 20 0 BCADRP C[NH2+]CC1CCN(C(=O)C2([NH2+]C)CCC2)CC1 ZINC000911777266 639798435 /nfs/dbraw/zinc/79/84/35/639798435.db2.gz IKXQWMHDFDWQHQ-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]C1(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CCC1 ZINC000911793883 639806770 /nfs/dbraw/zinc/80/67/70/639806770.db2.gz DNOMTDVEQRQVCK-NXEZZACHSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000911797508 639808566 /nfs/dbraw/zinc/80/85/66/639808566.db2.gz RIUATWNBVRKOLA-DDHJBXDOSA-N 2 0 239.363 0.441 20 0 BCADRP CC[C@@H](CO)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000930560006 639811367 /nfs/dbraw/zinc/81/13/67/639811367.db2.gz XWWUXUOSXGOKEV-RYUDHWBXSA-N 2 0 212.337 0.785 20 0 BCADRP C[NH2+]C1CC(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC000911795709 639819794 /nfs/dbraw/zinc/81/97/94/639819794.db2.gz KQGXXVHIQTVVOT-NKVNRFPTSA-N 2 0 225.336 0.193 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000911799324 639820588 /nfs/dbraw/zinc/82/05/88/639820588.db2.gz XHMFPAAGKWVXKK-YFKTTZPYSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000911801607 639825014 /nfs/dbraw/zinc/82/50/14/639825014.db2.gz DOGCZEZXTZFQLK-CDMKHQONSA-N 2 0 239.363 0.748 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911803326 639825498 /nfs/dbraw/zinc/82/54/98/639825498.db2.gz QJUCXPPDIWAAGN-YPMHNXCESA-N 2 0 241.379 0.994 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21)C1CC1 ZINC000911803613 639826549 /nfs/dbraw/zinc/82/65/49/639826549.db2.gz VIGNFYCWNLIDDF-OQEOFVATSA-N 2 0 237.347 0.213 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911803324 639826564 /nfs/dbraw/zinc/82/65/64/639826564.db2.gz QJUCXPPDIWAAGN-DGCLKSJQSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000911808574 639829007 /nfs/dbraw/zinc/82/90/07/639829007.db2.gz FHAVDJMHTBGFNB-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000911808925 639829512 /nfs/dbraw/zinc/82/95/12/639829512.db2.gz GJBNQRBWVNNWOW-ZJUUUORDSA-N 2 0 245.392 0.277 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000911808540 639829579 /nfs/dbraw/zinc/82/95/79/639829579.db2.gz CYGSELHCOPVLOA-YPMHNXCESA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000911808537 639829587 /nfs/dbraw/zinc/82/95/87/639829587.db2.gz CYGSELHCOPVLOA-AAEUAGOBSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000911808562 639829919 /nfs/dbraw/zinc/82/99/19/639829919.db2.gz DZCUGTSDCYQMKR-OUAUKWLOSA-N 2 0 225.336 0.052 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000911810883 639832557 /nfs/dbraw/zinc/83/25/57/639832557.db2.gz NJRHYWWKCYJEFE-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000911810881 639833202 /nfs/dbraw/zinc/83/32/02/639833202.db2.gz NJRHYWWKCYJEFE-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000911813172 639835428 /nfs/dbraw/zinc/83/54/28/639835428.db2.gz WJQOQEGAFHMCRX-NWDGAFQWSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000911819470 639836593 /nfs/dbraw/zinc/83/65/93/639836593.db2.gz DMJYOZHMCQQABX-SRVKXCTJSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@H]1CN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)CC[C@H]1[NH3+] ZINC000911821059 639836725 /nfs/dbraw/zinc/83/67/25/639836725.db2.gz UFEJEFRBRPIFOP-WGBDABJCSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H]1CCCN(C(=O)CC(C)(C)C[NH3+])[C@@H]1C[NH3+] ZINC000911823423 639837414 /nfs/dbraw/zinc/83/74/14/639837414.db2.gz KSQQRMOPRZMHBC-WDEREUQCSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC[C@H]1[NH3+] ZINC000911824377 639837446 /nfs/dbraw/zinc/83/74/46/639837446.db2.gz NPIGHPBNVBTILF-KKOKHZNYSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CC(C)(C)C[NH3+])C1 ZINC000911826963 639838645 /nfs/dbraw/zinc/83/86/45/639838645.db2.gz VIDQRIVOSGGKLI-WDEREUQCSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C23CC(C2)C[NH2+]3)C1 ZINC000911827618 639838985 /nfs/dbraw/zinc/83/89/85/639838985.db2.gz XQOVWSUOXKFSHH-MSLYCWSTSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]1C[C@H](C(=O)N[C@H](C[NH3+])C2CC2)CC[NH2+]1 ZINC000911831685 639842159 /nfs/dbraw/zinc/84/21/59/639842159.db2.gz CRPMCLPSLXWSRC-FBIMIBRVSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+]CCCSCCC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911831028 639842167 /nfs/dbraw/zinc/84/21/67/639842167.db2.gz BIVJFBAAFQHZHX-JTQLQIEISA-N 2 0 245.392 0.312 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000911830837 639842939 /nfs/dbraw/zinc/84/29/39/639842939.db2.gz HHUYRNDVEGIDSY-WZRBSPASSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911833323 639844699 /nfs/dbraw/zinc/84/46/99/639844699.db2.gz KRVJWZFYDZWKED-NEPJUHHUSA-N 2 0 239.363 0.713 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000911816640 639849151 /nfs/dbraw/zinc/84/91/51/639849151.db2.gz CQIZYHNXUGDZLY-PMUOWJKOSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(C)(C)C)CC[C@H]1[NH3+] ZINC000911817287 639849934 /nfs/dbraw/zinc/84/99/34/639849934.db2.gz GRVGFQLLRWECKU-GMTAPVOTSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[C@@H]1[NH3+] ZINC000911818003 639850669 /nfs/dbraw/zinc/85/06/69/639850669.db2.gz KLVPTYNZFJNJKV-CSYMLDBXSA-N 2 0 237.347 0.323 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)CC1CC([NH3+])C1 ZINC000911865645 639851556 /nfs/dbraw/zinc/85/15/56/639851556.db2.gz ZYNYSUXLCXCDGV-VQXHTEKXSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911864552 639851897 /nfs/dbraw/zinc/85/18/97/639851897.db2.gz RHLPCUPUOSLJDF-USZNOCQGSA-N 2 0 237.347 0.052 20 0 BCADRP C[NH2+]CCCCC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000911864616 639851919 /nfs/dbraw/zinc/85/19/19/639851919.db2.gz SHFVXHYPVWFKFZ-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]CCCCC(=O)N1CCC[C@H]1C[NH2+]C ZINC000911864618 639852406 /nfs/dbraw/zinc/85/24/06/639852406.db2.gz SHFVXHYPVWFKFZ-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C1=CCC[NH2+]CC1 ZINC000911869134 639853103 /nfs/dbraw/zinc/85/31/03/639853103.db2.gz XQJGZBYIIMLLBK-UHFFFAOYSA-N 2 0 239.363 0.740 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000911868693 639853261 /nfs/dbraw/zinc/85/32/61/639853261.db2.gz RUSWEYRUKQCKCK-GHMZBOCLSA-N 2 0 241.379 0.675 20 0 BCADRP CC(C)([NH3+])CNC(=O)C12CCC(CC1)[NH2+]2 ZINC000911844738 639855332 /nfs/dbraw/zinc/85/53/32/639855332.db2.gz ANQCQGGNPSATBS-UHFFFAOYSA-N 2 0 211.309 0.125 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N1CC[NH2+]CC1(C)C ZINC000911847645 639856337 /nfs/dbraw/zinc/85/63/37/639856337.db2.gz QSJRLBFNPYGNDA-SECBINFHSA-N 2 0 245.392 0.277 20 0 BCADRP C[C@H]1C[N@H+](CCO)CCN1CC[NH+]1CCCC1 ZINC000930675893 639858205 /nfs/dbraw/zinc/85/82/05/639858205.db2.gz RFTBBBGBHNGVHY-ZDUSSCGKSA-N 2 0 241.379 0.081 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C1([NH+](C)C)CC1 ZINC000911857227 639859560 /nfs/dbraw/zinc/85/95/60/639859560.db2.gz FECXKILULFIJRZ-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP O=C(N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C12CC(C1)C[NH2+]2 ZINC000911853225 639860245 /nfs/dbraw/zinc/86/02/45/639860245.db2.gz YETDOXAFMBJKQL-ZUXSNHBTSA-N 2 0 235.331 0.091 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C12CC(C1)C[NH2+]2 ZINC000911880341 639866296 /nfs/dbraw/zinc/86/62/96/639866296.db2.gz UHVTYMYJBJCOSJ-YZRBJQDESA-N 2 0 225.336 0.372 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911880308 639867081 /nfs/dbraw/zinc/86/70/81/639867081.db2.gz TZCZIYRFKJIZJT-GVXVVHGQSA-N 2 0 239.363 0.620 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)CC(C)(C)C[NH3+] ZINC000911882259 639867186 /nfs/dbraw/zinc/86/71/86/639867186.db2.gz URQASIRQWIITPB-SNVBAGLBSA-N 2 0 229.368 0.995 20 0 BCADRP C[C@H](C1CC1)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000930851224 639944379 /nfs/dbraw/zinc/94/43/79/639944379.db2.gz YJKYOEQITFDQML-LLVKDONJSA-N 2 0 239.363 0.491 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+]1CCCC1 ZINC000931391879 640175914 /nfs/dbraw/zinc/17/59/14/640175914.db2.gz YDPLWFFNVFBJKA-BETUJISGSA-N 2 0 223.364 0.861 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](CCn3cccn3)C[C@@H]2C1 ZINC000931433809 640200875 /nfs/dbraw/zinc/20/08/75/640200875.db2.gz IWWPVVPBGBILDM-OLZOCXBDSA-N 2 0 234.347 0.767 20 0 BCADRP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931434066 640203014 /nfs/dbraw/zinc/20/30/14/640203014.db2.gz NYKRGMWMMRQFAP-NWDGAFQWSA-N 2 0 239.363 0.348 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](CCc3cnccn3)C[C@@H]2C1 ZINC000931442459 640208496 /nfs/dbraw/zinc/20/84/96/640208496.db2.gz HYAYLFWLPWHZRK-OLZOCXBDSA-N 2 0 246.358 0.903 20 0 BCADRP C[NH+](C)CC(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912880292 640227504 /nfs/dbraw/zinc/22/75/04/640227504.db2.gz VPTVFXUXZASXCJ-UHFFFAOYSA-N 2 0 225.336 0.245 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCC3)C2)C1 ZINC000912906512 640232298 /nfs/dbraw/zinc/23/22/98/640232298.db2.gz FXGAVKCGHZUERH-VXGBXAGGSA-N 2 0 237.347 0.245 20 0 BCADRP C[C@H](C(=O)N1CCC(C)([NH+](C)C)CC1)[NH+](C)C ZINC000913391280 640361487 /nfs/dbraw/zinc/36/14/87/640361487.db2.gz GRZHUORPAPXJQP-LLVKDONJSA-N 2 0 241.379 0.879 20 0 BCADRP C[NH+](C)CCCC[NH2+]Cc1cnccn1 ZINC000054766738 640409177 /nfs/dbraw/zinc/40/91/77/640409177.db2.gz MRLDNYUOLBBXFU-UHFFFAOYSA-N 2 0 208.309 0.908 20 0 BCADRP CC[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000044648922 640445859 /nfs/dbraw/zinc/44/58/59/640445859.db2.gz QGGBAPNDIPBJMS-UHFFFAOYSA-N 2 0 227.352 0.585 20 0 BCADRP CC[NH2+]CC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000044651356 640447884 /nfs/dbraw/zinc/44/78/84/640447884.db2.gz ZJGHFNOZMNXGMI-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000225852065 640713216 /nfs/dbraw/zinc/71/32/16/640713216.db2.gz SAEDQINCRXTDAA-IJLUTSLNSA-N 2 0 230.352 0.443 20 0 BCADRP CC(C)C[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000226102104 640733861 /nfs/dbraw/zinc/73/38/61/640733861.db2.gz PULWXFXFKPYUIL-STQMWFEESA-N 2 0 244.379 0.440 20 0 BCADRP Cn1cc(CC[N@H+](C)C2CC[NH2+]CC2)cn1 ZINC000226418291 640762243 /nfs/dbraw/zinc/76/22/43/640762243.db2.gz YNBCVSUWDVKPSS-UHFFFAOYSA-N 2 0 222.336 0.646 20 0 BCADRP OCCCCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000226834830 640799860 /nfs/dbraw/zinc/79/98/60/640799860.db2.gz GABALRLUAXTOFN-TXEJJXNPSA-N 2 0 212.337 0.690 20 0 BCADRP OCCCCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000226834835 640800209 /nfs/dbraw/zinc/80/02/09/640800209.db2.gz GABALRLUAXTOFN-VXGBXAGGSA-N 2 0 212.337 0.690 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000227021053 640810088 /nfs/dbraw/zinc/81/00/88/640810088.db2.gz AGRCTQDKRLDDEB-OLZOCXBDSA-N 2 0 223.364 0.909 20 0 BCADRP CC(C)(O)C(C)(C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000227347047 640828837 /nfs/dbraw/zinc/82/88/37/640828837.db2.gz LPJXADLGXOLNRK-NSHDSACASA-N 2 0 244.379 0.582 20 0 BCADRP CCOCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000228987854 640909615 /nfs/dbraw/zinc/90/96/15/640909615.db2.gz FTNAENCCEWSWIA-QWRGUYRKSA-N 2 0 200.326 0.940 20 0 BCADRP C[NH+]1CCC(C[NH2+]CCC[S@@](C)=O)CC1 ZINC000229205231 640933138 /nfs/dbraw/zinc/93/31/38/640933138.db2.gz DXMMBGBGEKIHEZ-OAHLLOKOSA-N 2 0 232.393 0.686 20 0 BCADRP C[C@H](CNC(=O)C[C@@H]([NH3+])C1CC1)[N@H+](C)C1CC1 ZINC000230063708 641010739 /nfs/dbraw/zinc/01/07/39/641010739.db2.gz XQIGCUQMWZELHN-BXKDBHETSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+]CCCOC1CC[NH+](CCF)CC1 ZINC000087776688 641026077 /nfs/dbraw/zinc/02/60/77/641026077.db2.gz BMTQSLYHCDZWOW-UHFFFAOYSA-N 2 0 204.289 0.786 20 0 BCADRP CNC(=O)C(C)(C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000230386283 641048775 /nfs/dbraw/zinc/04/87/75/641048775.db2.gz GHAXWVPTPHNWCF-UHFFFAOYSA-N 2 0 241.379 0.690 20 0 BCADRP CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000230386670 641049440 /nfs/dbraw/zinc/04/94/40/641049440.db2.gz ZQIQHPYAWWQGBK-WDEREUQCSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH+]1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000062861621 641100302 /nfs/dbraw/zinc/10/03/02/641100302.db2.gz UKZQNODPEGBZIV-GFCCVEGCSA-N 2 0 211.353 0.624 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000062972620 641113998 /nfs/dbraw/zinc/11/39/98/641113998.db2.gz IDQCHKIYVBDQMA-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP C[N@H+](C[C@@H](O)CC(F)(F)F)C1CC[NH2+]CC1 ZINC000307938302 641194141 /nfs/dbraw/zinc/19/41/41/641194141.db2.gz KKFIGAOBLHORLY-VIFPVBQESA-N 2 0 240.269 0.984 20 0 BCADRP C[N@H+](CCC[NH3+])C[C@@H](O)CC(F)(F)F ZINC000307929575 641194647 /nfs/dbraw/zinc/19/46/47/641194647.db2.gz APVYQGWMYBMFRP-ZETCQYMHSA-N 2 0 214.231 0.580 20 0 BCADRP C[NH+]1CCC(C[NH2+]CC(C)(C)CO)CC1 ZINC000088170606 641320617 /nfs/dbraw/zinc/32/06/17/641320617.db2.gz PRWYVLQYHHOSEN-UHFFFAOYSA-N 2 0 214.353 0.936 20 0 BCADRP C[C@H](O)[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929697790 641404697 /nfs/dbraw/zinc/40/46/97/641404697.db2.gz VDFIXAATMBOGRJ-XQQFMLRXSA-N 2 0 242.363 0.146 20 0 BCADRP C[NH+](C)CCCCC(=O)NC12CC[NH+](CC1)C2 ZINC000913629565 641433125 /nfs/dbraw/zinc/43/31/25/641433125.db2.gz DHZVNBCOVBGUEH-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP CC[C@H](C(=O)NC12CC[NH+](CC1)C2)[NH+](C)C ZINC000913630926 641434034 /nfs/dbraw/zinc/43/40/34/641434034.db2.gz GKXNGSPCCPTRQH-SNVBAGLBSA-N 2 0 225.336 0.291 20 0 BCADRP COCCN(C)CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000089146224 641465905 /nfs/dbraw/zinc/46/59/05/641465905.db2.gz SORSXPKQUKCVLV-OLZOCXBDSA-N 2 0 243.395 0.672 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000040461757 641531701 /nfs/dbraw/zinc/53/17/01/641531701.db2.gz ITVSCXRCSHPWBW-LLVKDONJSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157633772 641620869 /nfs/dbraw/zinc/62/08/69/641620869.db2.gz GQBHOHPUYSKNJL-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000157847142 641623976 /nfs/dbraw/zinc/62/39/76/641623976.db2.gz CSBZQVLPBFQWOV-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCO[C@@H](C)C1 ZINC000223935244 641700520 /nfs/dbraw/zinc/70/05/20/641700520.db2.gz DCQUTVHYGUQKBS-WOPDTQHZSA-N 2 0 212.337 0.953 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000226740921 641725218 /nfs/dbraw/zinc/72/52/18/641725218.db2.gz OIVYPAYHUPETOO-QJPTWQEYSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)[NH2+]1 ZINC000153552642 641818494 /nfs/dbraw/zinc/81/84/94/641818494.db2.gz MKEBKIGZJIEGSW-YFKTTZPYSA-N 2 0 239.363 0.713 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000884036828 641863292 /nfs/dbraw/zinc/86/32/92/641863292.db2.gz IFNJSMBVWPCZGG-ZJUUUORDSA-N 2 0 225.336 0.086 20 0 BCADRP CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015705127 641883748 /nfs/dbraw/zinc/88/37/48/641883748.db2.gz IEJCNUGJEOOMCS-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C ZINC000916112985 641909839 /nfs/dbraw/zinc/90/98/39/641909839.db2.gz DCXNMWDSYFZPCN-NSHDSACASA-N 2 0 242.367 0.330 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@H]1CCC[NH2+]C1 ZINC000154132541 641966328 /nfs/dbraw/zinc/96/63/28/641966328.db2.gz PBTSMHCZQGTTKN-JTQLQIEISA-N 2 0 213.325 0.374 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)CCCCC[NH3+] ZINC000154153130 641972253 /nfs/dbraw/zinc/97/22/53/641972253.db2.gz NXMDFFSCCLFDJQ-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089747547 642111026 /nfs/dbraw/zinc/11/10/26/642111026.db2.gz RVQCKARYYJPWBL-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031585583 642341635 /nfs/dbraw/zinc/34/16/35/642341635.db2.gz ZZRRJEGHCORECZ-NSHDSACASA-N 2 0 225.336 0.149 20 0 BCADRP [NH3+]CC1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000307941168 642350293 /nfs/dbraw/zinc/35/02/93/642350293.db2.gz ODAKHTPRKGMADU-SECBINFHSA-N 2 0 240.269 0.970 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307940711 642350568 /nfs/dbraw/zinc/35/05/68/642350568.db2.gz NHKYRKWJFFPSFR-CIUDSAMLSA-N 2 0 240.269 0.969 20 0 BCADRP CC[N@H+](CCC(N)=O)C[C@@H]1CCC[NH2+]C1 ZINC000233428392 642670039 /nfs/dbraw/zinc/67/00/39/642670039.db2.gz JIKGVJYFLJFTDE-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP CC[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC000962719720 642733167 /nfs/dbraw/zinc/73/31/67/642733167.db2.gz OLHXNEZLSAOREB-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000967708524 642803090 /nfs/dbraw/zinc/80/30/90/642803090.db2.gz LQHCUTXHFITOPB-NEPJUHHUSA-N 2 0 239.363 0.680 20 0 BCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCF)C1 ZINC000967926357 642805218 /nfs/dbraw/zinc/80/52/18/642805218.db2.gz UGIDXWDXBSHFLG-GHMZBOCLSA-N 2 0 243.326 0.241 20 0 BCADRP COC[C@H](O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000068890899 642807765 /nfs/dbraw/zinc/80/77/65/642807765.db2.gz JQEARNAYRVIYNP-MWLCHTKSSA-N 2 0 216.325 0.053 20 0 BCADRP CCOC[C@@H](O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000068949978 642815227 /nfs/dbraw/zinc/81/52/27/642815227.db2.gz IRXGQSJDHCBAIV-PWSUYJOCSA-N 2 0 230.352 0.443 20 0 BCADRP COC[C@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000069054638 642821647 /nfs/dbraw/zinc/82/16/47/642821647.db2.gz VUJDHCPYSQHRNC-OLZOCXBDSA-N 2 0 242.363 0.458 20 0 BCADRP CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001031772423 642834571 /nfs/dbraw/zinc/83/45/71/642834571.db2.gz UEJXCGUYMVCRQR-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP COC[C@H](O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000252691863 642891674 /nfs/dbraw/zinc/89/16/74/642891674.db2.gz ZGFRSMCEMZGGEI-MNOVXSKESA-N 2 0 218.341 0.299 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N(C)CC[NH2+]C ZINC000069803285 642917009 /nfs/dbraw/zinc/91/70/09/642917009.db2.gz PRWAEZMQZLBTBI-SNVBAGLBSA-N 2 0 201.314 0.182 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NCCC(C)(C)[NH3+] ZINC000114811378 642965972 /nfs/dbraw/zinc/96/59/72/642965972.db2.gz ZOWKLYKKECRQRR-UHFFFAOYSA-N 2 0 230.356 0.540 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001019044469 643020010 /nfs/dbraw/zinc/02/00/10/643020010.db2.gz VAHRSHYSNQYLNW-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH+](CC)CCNC(=S)NCC[NH+](C)C ZINC000243650268 643035625 /nfs/dbraw/zinc/03/56/25/643035625.db2.gz OZNWGRAFOXTACR-UHFFFAOYSA-N 2 0 246.424 0.354 20 0 BCADRP CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001020022561 643052779 /nfs/dbraw/zinc/05/27/79/643052779.db2.gz BFQQTCPVKABHKH-SRVKXCTJSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]1[C@@H](NC(=O)NCC[NH+]2CCC2)CC[N@@H+]1C ZINC000925339218 643217814 /nfs/dbraw/zinc/21/78/14/643217814.db2.gz WWVFFOVDUCFBFV-QWRGUYRKSA-N 2 0 240.351 0.084 20 0 BCADRP CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001020587537 643219876 /nfs/dbraw/zinc/21/98/76/643219876.db2.gz JVFRSYAZZKASMK-SRVKXCTJSA-N 2 0 239.363 0.727 20 0 BCADRP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020589759 643223014 /nfs/dbraw/zinc/22/30/14/643223014.db2.gz BITUELQICLHCJD-KKOKHZNYSA-N 2 0 239.363 0.441 20 0 BCADRP CCC[N@H+](CC)CCNC(=[NH2+])N1CCOCC1 ZINC000083052962 643291917 /nfs/dbraw/zinc/29/19/17/643291917.db2.gz OMFZQBHEMNGRPI-UHFFFAOYSA-N 2 0 242.367 0.365 20 0 BCADRP CN(CC[NH+](C)C)c1cc[nH+]c(CO)c1 ZINC000082543011 643340649 /nfs/dbraw/zinc/34/06/49/643340649.db2.gz PJMKPCWTQUTUQF-UHFFFAOYSA-N 2 0 209.293 0.572 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000843497196 643366061 /nfs/dbraw/zinc/36/60/61/643366061.db2.gz FUIXUUOCZGIPQY-ZJUUUORDSA-N 2 0 213.325 0.039 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000843497190 643366605 /nfs/dbraw/zinc/36/66/05/643366605.db2.gz FUIXUUOCZGIPQY-VHSXEESVSA-N 2 0 213.325 0.039 20 0 BCADRP [NH3+]Cc1cccc(C(=O)N2CCC[NH2+]CC2)c1 ZINC000082697737 643370815 /nfs/dbraw/zinc/37/08/15/643370815.db2.gz OHLFVDMWYBONPD-UHFFFAOYSA-N 2 0 233.315 0.581 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000082920698 643389719 /nfs/dbraw/zinc/38/97/19/643389719.db2.gz OOODJGGOVHQWSS-WDEREUQCSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH2+]CCCNC(=O)CCCCC[NH3+] ZINC000083343682 643435854 /nfs/dbraw/zinc/43/58/54/643435854.db2.gz XKJMTSDGZJDLCS-UHFFFAOYSA-N 2 0 201.314 0.231 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000083347584 643437840 /nfs/dbraw/zinc/43/78/40/643437840.db2.gz KSDXVATVAHGUON-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN([C@@H]2CCOC2=O)C1 ZINC000069626921 643448968 /nfs/dbraw/zinc/44/89/68/643448968.db2.gz ZKQQEEWLKWREHS-IVZWLZJFSA-N 2 0 212.293 0.361 20 0 BCADRP CC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645580 643521178 /nfs/dbraw/zinc/52/11/78/643521178.db2.gz BAIYHLVTUVEWIK-VWYCJHECSA-N 2 0 200.326 0.817 20 0 BCADRP C[C@H](O)C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000083676564 643541040 /nfs/dbraw/zinc/54/10/40/643541040.db2.gz IVJQTQHPVTWUNP-JTQLQIEISA-N 2 0 200.326 0.961 20 0 BCADRP O=C(Cn1ccnc1)N1CC[C@@H]([NH2+]CCF)C1 ZINC000970856246 643577796 /nfs/dbraw/zinc/57/77/96/643577796.db2.gz HQUDAFKIOGZULT-SNVBAGLBSA-N 2 0 240.282 0.043 20 0 BCADRP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000050372916 643693145 /nfs/dbraw/zinc/69/31/45/643693145.db2.gz ZYDKUMMKXHVKTC-RWMBFGLXSA-N 2 0 242.363 0.600 20 0 BCADRP COC(C[NH+]1CCC(C[NH+](C)C)CC1)OC ZINC000085351138 643747656 /nfs/dbraw/zinc/74/76/56/643747656.db2.gz AIVFHSPIDQNQDL-UHFFFAOYSA-N 2 0 230.352 0.879 20 0 BCADRP CC(=O)NCCCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929313459 644075770 /nfs/dbraw/zinc/07/57/70/644075770.db2.gz YMCJWVXVKNQLLY-BETUJISGSA-N 2 0 239.363 0.444 20 0 BCADRP CCCN(C(=O)CC[C@@H](C)[NH3+])[C@H]1CC[NH2+]C1 ZINC000193170377 644220065 /nfs/dbraw/zinc/22/00/65/644220065.db2.gz BTLRVJSCVPTRDA-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CSC[C@@H](O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000923284129 644310043 /nfs/dbraw/zinc/31/00/43/644310043.db2.gz HTTKDAGKQVIPHL-KOLCDFICSA-N 2 0 232.393 0.770 20 0 BCADRP CC(C)COC[C@H](O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000923279533 644310850 /nfs/dbraw/zinc/31/08/50/644310850.db2.gz OREYFYVOBLRZDU-CYBMUJFWSA-N 2 0 244.379 0.704 20 0 BCADRP CC(C)COC[C@@H](O)C[NH+]1CCC([NH3+])CC1 ZINC000923278048 644311210 /nfs/dbraw/zinc/31/12/10/644311210.db2.gz WRDHGTOWAZXACQ-LBPRGKRZSA-N 2 0 230.352 0.443 20 0 BCADRP CCOCC[C@@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000923278035 644311229 /nfs/dbraw/zinc/31/12/29/644311229.db2.gz WEGKXKGQUMWHIP-GFCCVEGCSA-N 2 0 230.352 0.445 20 0 BCADRP CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000923279478 644311235 /nfs/dbraw/zinc/31/12/35/644311235.db2.gz CCMCKCIGQQROPY-OLZOCXBDSA-N 2 0 244.379 0.833 20 0 BCADRP CC(C)COC[C@H](O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000923279850 644312098 /nfs/dbraw/zinc/31/20/98/644312098.db2.gz DQVNKGZDFGDJSJ-CHWSQXEVSA-N 2 0 244.379 0.691 20 0 BCADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000923282576 644318168 /nfs/dbraw/zinc/31/81/68/644318168.db2.gz VWEIZYOGXMNXIE-RYUDHWBXSA-N 2 0 230.352 0.301 20 0 BCADRP C[NH2+][C@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923284907 644318590 /nfs/dbraw/zinc/31/85/90/644318590.db2.gz WUBMCSCHMVXBTP-NWDGAFQWSA-N 2 0 239.363 0.049 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923288968 644324336 /nfs/dbraw/zinc/32/43/36/644324336.db2.gz NGLNVBOQDKMGBI-BBBLOLIVSA-N 2 0 218.366 0.379 20 0 BCADRP CCOCC[C@H](O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000923294034 644330088 /nfs/dbraw/zinc/33/00/88/644330088.db2.gz DJUDPNMMFZHZHB-NSHDSACASA-N 2 0 232.368 0.691 20 0 BCADRP CC(C)OCC[C@H](O)CN1CCC[C@H]1C[NH3+] ZINC000923293115 644330577 /nfs/dbraw/zinc/33/05/77/644330577.db2.gz NLYJYAOCFASQNV-RYUDHWBXSA-N 2 0 230.352 0.586 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H](O)Cn1cccn1 ZINC000923295801 644331766 /nfs/dbraw/zinc/33/17/66/644331766.db2.gz HSBLRNHVWIOLJO-NWDGAFQWSA-N 2 0 240.351 0.207 20 0 BCADRP CC(C)COC[C@H](O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000923295708 644332979 /nfs/dbraw/zinc/33/29/79/644332979.db2.gz FJZAZJQWVWATPR-OLZOCXBDSA-N 2 0 246.395 0.983 20 0 BCADRP CC(C)OCC[C@@H](O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000923296500 644335141 /nfs/dbraw/zinc/33/51/41/644335141.db2.gz UALSAVJMLLSKHK-CHWSQXEVSA-N 2 0 244.379 0.879 20 0 BCADRP CC(C)OC[C@H](O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000923296032 644335744 /nfs/dbraw/zinc/33/57/44/644335744.db2.gz NLIMHIFEVXZPOW-NEPJUHHUSA-N 2 0 232.368 0.735 20 0 BCADRP CC(C)C[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923300341 644335766 /nfs/dbraw/zinc/33/57/66/644335766.db2.gz FUDRZSVPOKDEPV-NSHDSACASA-N 2 0 212.337 0.953 20 0 BCADRP CO[C@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923307173 644337514 /nfs/dbraw/zinc/33/75/14/644337514.db2.gz XYWZTOAPBSPSQX-RYUDHWBXSA-N 2 0 240.347 0.476 20 0 BCADRP CC[N@H+](C[C@H]1CCOC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923307240 644338234 /nfs/dbraw/zinc/33/82/34/644338234.db2.gz QHVVIFKZJCLWEI-RHYQMDGZSA-N 2 0 228.336 0.195 20 0 BCADRP CCOC1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923305167 644340539 /nfs/dbraw/zinc/34/05/39/644340539.db2.gz KBDMYEQURLQZCY-DLOVCJGASA-N 2 0 228.336 0.338 20 0 BCADRP CN(Cc1cccc(O)c1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923303692 644340677 /nfs/dbraw/zinc/34/06/77/644340677.db2.gz IIQWPVDCNVFJOT-DRZSPHRISA-N 2 0 236.315 0.675 20 0 BCADRP C[C@@H]1COC[C@H](C)[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923314161 644341299 /nfs/dbraw/zinc/34/12/99/644341299.db2.gz RBFZAFJFMYNGHT-GRYCIOLGSA-N 2 0 240.347 0.474 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC3(CCC3)C2)C1 ZINC000923315558 644343329 /nfs/dbraw/zinc/34/33/29/644343329.db2.gz IGNQARFXZSKXDZ-DCAQKATOSA-N 2 0 210.321 0.713 20 0 BCADRP COC(C)(C)C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923317942 644344725 /nfs/dbraw/zinc/34/47/25/644344725.db2.gz HEUOUTBWBOBBGQ-GUBZILKMSA-N 2 0 216.325 0.194 20 0 BCADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[NH+]1CCCCC1 ZINC000923318005 644344933 /nfs/dbraw/zinc/34/49/33/644344933.db2.gz HVPSKWXZMOOWKM-NSHDSACASA-N 2 0 210.321 0.851 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923328858 644346127 /nfs/dbraw/zinc/34/61/27/644346127.db2.gz XJGHHTIGBMQTGK-LBPRGKRZSA-N 2 0 242.363 0.459 20 0 BCADRP C[C@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCS1 ZINC000923311044 644346808 /nfs/dbraw/zinc/34/68/08/644346808.db2.gz FRQSALPOVZNAKL-WDEREUQCSA-N 2 0 242.388 0.802 20 0 BCADRP C[N@H+](C[C@H]1CCCCO1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923310503 644347188 /nfs/dbraw/zinc/34/71/88/644347188.db2.gz WJDFPLNVYVDACP-USZNOCQGSA-N 2 0 228.336 0.338 20 0 BCADRP CCOCCOCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000923330862 644348309 /nfs/dbraw/zinc/34/83/09/644348309.db2.gz CPHVHGZRGYECBS-YNEHKIRRSA-N 2 0 242.363 0.709 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923331086 644349425 /nfs/dbraw/zinc/34/94/25/644349425.db2.gz BKRACUHCHONBFV-TUAOUCFPSA-N 2 0 239.363 0.047 20 0 BCADRP CCOCCOCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000923330856 644349536 /nfs/dbraw/zinc/34/95/36/644349536.db2.gz CPHVHGZRGYECBS-AVGNSLFASA-N 2 0 242.363 0.709 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CN(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923323093 644352182 /nfs/dbraw/zinc/35/21/82/644352182.db2.gz QIIXCOYDDWJYJL-CYDGBPFRSA-N 2 0 241.379 0.253 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000923333085 644353910 /nfs/dbraw/zinc/35/39/10/644353910.db2.gz TXXSUZMVTSTHCC-SRVKXCTJSA-N 2 0 230.352 0.443 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000923332772 644354845 /nfs/dbraw/zinc/35/48/45/644354845.db2.gz NHRQUHHHSQAJLR-CYDGBPFRSA-N 2 0 242.363 0.443 20 0 BCADRP CCOCC[C@@H](O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000923334674 644356334 /nfs/dbraw/zinc/35/63/34/644356334.db2.gz JCWDTYODXWZRSN-CHWSQXEVSA-N 2 0 244.379 0.848 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000923348404 644361184 /nfs/dbraw/zinc/36/11/84/644361184.db2.gz GFYIFMLLBYMPOH-MNOVXSKESA-N 2 0 232.393 0.771 20 0 BCADRP [NH3+]CC(C[NH3+])N[C@H]1CCCc2ccccc21 ZINC000923351353 644366770 /nfs/dbraw/zinc/36/67/70/644366770.db2.gz JMBVBZPUAXOHSQ-ZDUSSCGKSA-N 2 0 219.332 0.940 20 0 BCADRP [NH3+]CC(C[NH3+])N[C@@H]1CCCc2ccccc21 ZINC000923351352 644367704 /nfs/dbraw/zinc/36/77/04/644367704.db2.gz JMBVBZPUAXOHSQ-CYBMUJFWSA-N 2 0 219.332 0.940 20 0 BCADRP Cc1ccc(OCCNC(C[NH3+])C[NH3+])cc1 ZINC000923352034 644369328 /nfs/dbraw/zinc/36/93/28/644369328.db2.gz LDVPIZISSRMZSE-UHFFFAOYSA-N 2 0 223.320 0.249 20 0 BCADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923355191 644371413 /nfs/dbraw/zinc/37/14/13/644371413.db2.gz HIMZHQYEFZQPEP-STQMWFEESA-N 2 0 244.379 0.833 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1ncc(Cl)cc1Cl ZINC000923354445 644371811 /nfs/dbraw/zinc/37/18/11/644371811.db2.gz OPMXDQFFAUVVCJ-UHFFFAOYSA-N 2 0 249.145 0.764 20 0 BCADRP [NH3+]CCC[N@H+](CCO)CC1CCCC1 ZINC000923354777 644372675 /nfs/dbraw/zinc/37/26/75/644372675.db2.gz WHHPFUBBKWMNMD-UHFFFAOYSA-N 2 0 200.326 0.820 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923364225 644375510 /nfs/dbraw/zinc/37/55/10/644375510.db2.gz JXKLQNKVLCLTFP-XQQFMLRXSA-N 2 0 242.363 0.458 20 0 BCADRP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H](O)C[NH3+] ZINC000923366131 644378946 /nfs/dbraw/zinc/37/89/46/644378946.db2.gz JSJBLWURQHWXJH-WVMKXHBISA-N 3 0 241.379 0.159 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923367156 644379587 /nfs/dbraw/zinc/37/95/87/644379587.db2.gz SXVQABRDZLSFTN-NEPJUHHUSA-N 2 0 244.404 0.786 20 0 BCADRP C[N@H+](CC1CCOCC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923369029 644380439 /nfs/dbraw/zinc/38/04/39/644380439.db2.gz GBMPDCDSQMQSAP-SRVKXCTJSA-N 2 0 228.336 0.195 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H](c3ccccn3)C2)C1 ZINC000923369115 644380812 /nfs/dbraw/zinc/38/08/12/644380812.db2.gz HQUXWJUSHMDKJV-XWUBHJNHSA-N 2 0 247.342 0.722 20 0 BCADRP CNC(=O)CCC[N@H+](C)CCC[NH2+]C1CC1 ZINC000923372086 644383163 /nfs/dbraw/zinc/38/31/63/644383163.db2.gz WREBGHAGAVGXDT-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000923371084 644384957 /nfs/dbraw/zinc/38/49/57/644384957.db2.gz VLYRKMZVWPUXIQ-NEPJUHHUSA-N 2 0 242.363 0.770 20 0 BCADRP CC[C@H](O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000923362653 644386133 /nfs/dbraw/zinc/38/61/33/644386133.db2.gz MANDKSLEJPVIKS-XQQFMLRXSA-N 2 0 242.363 0.586 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1CCC[NH2+]C1CC1 ZINC000923360919 644386310 /nfs/dbraw/zinc/38/63/10/644386310.db2.gz FXUXNGYBMVDRRX-WDEREUQCSA-N 2 0 211.353 0.811 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000923375673 644388616 /nfs/dbraw/zinc/38/86/16/644388616.db2.gz OYEKNWLFCRZLRS-AVGNSLFASA-N 2 0 244.379 0.691 20 0 BCADRP C[C@H](O)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000923379737 644390672 /nfs/dbraw/zinc/39/06/72/644390672.db2.gz RPPRJWYXNGENMK-UHTWSYAYSA-N 2 0 242.363 0.586 20 0 BCADRP CC(C)CC[C@H](O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000923377694 644391446 /nfs/dbraw/zinc/39/14/46/644391446.db2.gz AVASNJZNZBNXDS-QWHCGFSZSA-N 2 0 244.379 0.833 20 0 BCADRP COC[C@H]1CCCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923376807 644391662 /nfs/dbraw/zinc/39/16/62/644391662.db2.gz PEGJUDVCEXGNLV-CYDGBPFRSA-N 2 0 242.363 0.586 20 0 BCADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)[C@H]1CCCOC1 ZINC000923380812 644393223 /nfs/dbraw/zinc/39/32/23/644393223.db2.gz YAONCVAOFLRCHK-HTFCKZLJSA-N 2 0 228.336 0.242 20 0 BCADRP C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923385308 644393309 /nfs/dbraw/zinc/39/33/09/644393309.db2.gz ZXDYGVSBYTYWHV-GRYCIOLGSA-N 2 0 240.347 0.210 20 0 BCADRP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923380376 644393612 /nfs/dbraw/zinc/39/36/12/644393612.db2.gz VWTVLWVKAFMKEC-QHZLYTNSSA-N 2 0 200.326 0.861 20 0 BCADRP CSC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923380673 644393683 /nfs/dbraw/zinc/39/36/83/644393683.db2.gz BIMUZXMKKISUGZ-IVZWLZJFSA-N 2 0 218.366 0.570 20 0 BCADRP CC[C@@H](C)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923380375 644393969 /nfs/dbraw/zinc/39/39/69/644393969.db2.gz VWTVLWVKAFMKEC-NMUGVGKYSA-N 2 0 200.326 0.861 20 0 BCADRP C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000923390606 644395726 /nfs/dbraw/zinc/39/57/26/644395726.db2.gz BREQJMKPDPLOHN-LOWDOPEQSA-N 2 0 242.363 0.728 20 0 BCADRP C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000923390615 644395866 /nfs/dbraw/zinc/39/58/66/644395866.db2.gz BREQJMKPDPLOHN-WUHRBBMRSA-N 2 0 242.363 0.728 20 0 BCADRP CCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923383722 644396875 /nfs/dbraw/zinc/39/68/75/644396875.db2.gz LZIVAVXSUYQIAY-HBNTYKKESA-N 2 0 216.325 0.243 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000923386930 644398042 /nfs/dbraw/zinc/39/80/42/644398042.db2.gz LGERXDQVGLSZSK-SRVKXCTJSA-N 2 0 230.352 0.443 20 0 BCADRP CC(C)O[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923385933 644399201 /nfs/dbraw/zinc/39/92/01/644399201.db2.gz GAOFLOIIDAVOPD-RNJOBUHISA-N 2 0 242.363 0.726 20 0 BCADRP c1cn(C[C@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)nn1 ZINC000923385708 644400046 /nfs/dbraw/zinc/40/00/46/644400046.db2.gz GRIGNFUOYBXQRZ-LBPRGKRZSA-N 2 0 249.362 0.742 20 0 BCADRP CN(CC[NH+]1CCCCC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923393093 644401533 /nfs/dbraw/zinc/40/15/33/644401533.db2.gz NLKXWQVEVKBXSG-AVGNSLFASA-N 2 0 241.379 0.255 20 0 BCADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000923395551 644402355 /nfs/dbraw/zinc/40/23/55/644402355.db2.gz SYYNNRNPDQFGDJ-UTUOFQBUSA-N 2 0 222.332 0.707 20 0 BCADRP CSC[C@H](O)CN1CC2CCC1(C[NH3+])CC2 ZINC000923393519 644403104 /nfs/dbraw/zinc/40/31/04/644403104.db2.gz RUZAYOKIAXDDTK-MOENNCHZSA-N 2 0 244.404 0.914 20 0 BCADRP CSC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000923388747 644403198 /nfs/dbraw/zinc/40/31/98/644403198.db2.gz UKMADBZACLNDDT-TUAOUCFPSA-N 2 0 244.404 0.771 20 0 BCADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000923395546 644403296 /nfs/dbraw/zinc/40/32/96/644403296.db2.gz SYYNNRNPDQFGDJ-SRVKXCTJSA-N 2 0 222.332 0.707 20 0 BCADRP CC1(F)CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923417387 644409250 /nfs/dbraw/zinc/40/92/50/644409250.db2.gz UCPAJALZMNMRLN-GUBZILKMSA-N 2 0 216.300 0.661 20 0 BCADRP COC[C@H](O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923412759 644413234 /nfs/dbraw/zinc/41/32/34/644413234.db2.gz ASQXMSGHKKAESW-DGCLKSJQSA-N 2 0 244.379 0.691 20 0 BCADRP COC[C@H](O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923412761 644413157 /nfs/dbraw/zinc/41/31/57/644413157.db2.gz ASQXMSGHKKAESW-YPMHNXCESA-N 2 0 244.379 0.691 20 0 BCADRP CSC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923411539 644413678 /nfs/dbraw/zinc/41/36/78/644413678.db2.gz NADRFEMQCKZVQY-KXUCPTDWSA-N 2 0 218.366 0.237 20 0 BCADRP CSC[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923421908 644416509 /nfs/dbraw/zinc/41/65/09/644416509.db2.gz PEFIGNNRHFUZTA-IWSPIJDZSA-N 2 0 218.366 0.426 20 0 BCADRP CCN(CCC[NH2+]C1CC1)[C@H]1CC[NH2+]C1 ZINC000923423506 644418879 /nfs/dbraw/zinc/41/88/79/644418879.db2.gz BLRHFBNORWCOQA-LBPRGKRZSA-N 2 0 211.353 0.812 20 0 BCADRP CCOCC[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923422807 644418952 /nfs/dbraw/zinc/41/89/52/644418952.db2.gz SGNIUDSHLROUNN-HBNTYKKESA-N 2 0 230.352 0.489 20 0 BCADRP FC1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923425463 644419703 /nfs/dbraw/zinc/41/97/03/644419703.db2.gz ZJEQWAYCUVEQBW-NSHDSACASA-N 2 0 228.311 0.799 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923422365 644420640 /nfs/dbraw/zinc/42/06/40/644420640.db2.gz QMELLYIFTLZILA-AXFHLTTASA-N 3 0 239.363 0.080 20 0 BCADRP CCOCC[C@H](O)CN1CCCC[C@H]1C[NH2+]C ZINC000923430414 644422701 /nfs/dbraw/zinc/42/27/01/644422701.db2.gz KQLRSMDLLCTBKH-STQMWFEESA-N 2 0 244.379 0.848 20 0 BCADRP CSC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923429602 644422734 /nfs/dbraw/zinc/42/27/34/644422734.db2.gz YXAIZCDDSKUHKD-GMTAPVOTSA-N 2 0 232.393 0.627 20 0 BCADRP FC[C@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923421448 644425355 /nfs/dbraw/zinc/42/53/55/644425355.db2.gz BWMYWTKPQUEQGX-MNOVXSKESA-N 2 0 228.311 0.656 20 0 BCADRP CC1(C)CN(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1[NH3+] ZINC000923432313 644426678 /nfs/dbraw/zinc/42/66/78/644426678.db2.gz KOHRBHXBIQHBGM-MNOVXSKESA-N 2 0 239.363 0.034 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C[C@@H]1C[NH2+]CCO1 ZINC000923436869 644427904 /nfs/dbraw/zinc/42/79/04/644427904.db2.gz SVTPRHPIFIVMRK-YFKTTZPYSA-N 2 0 227.352 0.046 20 0 BCADRP CCOCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452764 644442060 /nfs/dbraw/zinc/44/20/60/644442060.db2.gz HPVMRSLSZYGXKU-LBPRGKRZSA-N 2 0 242.363 0.853 20 0 BCADRP COCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923453521 644442246 /nfs/dbraw/zinc/44/22/46/644442246.db2.gz NGWFYTDFBWJQMC-LLVKDONJSA-N 2 0 228.336 0.463 20 0 BCADRP C(CN1CC[C@@H]2CC[NH2+][C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000923454326 644443195 /nfs/dbraw/zinc/44/31/95/644443195.db2.gz GSBUIKCJXYFFBR-RWMBFGLXSA-N 2 0 223.364 0.670 20 0 BCADRP CC1(C)CO[C@H](CN2CC[NH2+]CC[NH2+]CC2)C1 ZINC000923461559 644447487 /nfs/dbraw/zinc/44/74/87/644447487.db2.gz ZBKRIIVYELSTKT-LBPRGKRZSA-N 2 0 241.379 0.296 20 0 BCADRP c1cncc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923463070 644447603 /nfs/dbraw/zinc/44/76/03/644447603.db2.gz PPJLCYWFEGLPBL-UHFFFAOYSA-N 2 0 220.320 0.076 20 0 BCADRP C[C@H](c1ccncc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923463543 644448356 /nfs/dbraw/zinc/44/83/56/644448356.db2.gz ULQNECRQIDUBKT-GFCCVEGCSA-N 2 0 234.347 0.637 20 0 BCADRP [NH3+][C@]1(CO)CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000923470886 644450235 /nfs/dbraw/zinc/45/02/35/644450235.db2.gz BWEKNEPGSCUZHJ-CHWSQXEVSA-N 2 0 241.379 0.162 20 0 BCADRP [NH3+]CCCCCCN1CCC[C@@]([NH3+])(CO)C1 ZINC000923475171 644453237 /nfs/dbraw/zinc/45/32/37/644453237.db2.gz OBVDLDUGTGYLLO-LBPRGKRZSA-N 2 0 229.368 0.291 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923483854 644460051 /nfs/dbraw/zinc/46/00/51/644460051.db2.gz FYEJZYODQQNMOZ-NSHDSACASA-N 2 0 227.352 0.526 20 0 BCADRP Cc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)ncn1 ZINC000923480853 644460200 /nfs/dbraw/zinc/46/02/00/644460200.db2.gz KRCVEYIZNQIBME-LLVKDONJSA-N 2 0 220.320 0.956 20 0 BCADRP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)CC[C@@H]1C[NH3+] ZINC000923495133 644461562 /nfs/dbraw/zinc/46/15/62/644461562.db2.gz UECQSOLWSXOWDZ-UTUOFQBUSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000923495491 644463182 /nfs/dbraw/zinc/46/31/82/644463182.db2.gz WHWDZLCVXLGYNU-AGIUHOORSA-N 3 0 225.380 0.903 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000923484289 644463417 /nfs/dbraw/zinc/46/34/17/644463417.db2.gz XSQIPIZUSKUATA-NSHDSACASA-N 3 0 211.353 0.657 20 0 BCADRP C[C@H]1C[N@H+](CCc2cnn(C)c2)CC[C@@H]1C[NH3+] ZINC000923491118 644464864 /nfs/dbraw/zinc/46/48/64/644464864.db2.gz RBWBHTPPAJYZIS-WCQYABFASA-N 2 0 236.363 0.879 20 0 BCADRP C[C@H]1C[N@H+](CCc2cn[nH]c2)CC[C@@H]1C[NH3+] ZINC000923488917 644464921 /nfs/dbraw/zinc/46/49/21/644464921.db2.gz IDZXROSCIRGCQB-CMPLNLGQSA-N 2 0 222.336 0.869 20 0 BCADRP C[C@H]1C[N@H+](CCc2cn[nH]c2)CC[C@H]1C[NH3+] ZINC000923488919 644464981 /nfs/dbraw/zinc/46/49/81/644464981.db2.gz IDZXROSCIRGCQB-JQWIXIFHSA-N 2 0 222.336 0.869 20 0 BCADRP C[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CC[C@@H]1C[NH3+] ZINC000923489378 644465722 /nfs/dbraw/zinc/46/57/22/644465722.db2.gz JGFOHLYGSMGLJT-WYUUTHIRSA-N 2 0 229.343 0.603 20 0 BCADRP C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086404505 644467304 /nfs/dbraw/zinc/46/73/04/644467304.db2.gz AHZURZAQXJYQDI-KXUCPTDWSA-N 2 0 234.365 0.279 20 0 BCADRP C[C@H]1C[N@H+](CCc2cncn2C)CC[C@@H]1C[NH3+] ZINC000923491538 644468017 /nfs/dbraw/zinc/46/80/17/644468017.db2.gz SQUZYMMGRMRLDD-NWDGAFQWSA-N 2 0 236.363 0.879 20 0 BCADRP COC[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923491824 644468811 /nfs/dbraw/zinc/46/88/11/644468811.db2.gz UJEUUPRKYVQCQP-GARJFASQSA-N 2 0 200.326 0.938 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cc[nH]n2)CC[C@H]1C[NH3+] ZINC000923491504 644468822 /nfs/dbraw/zinc/46/88/22/644468822.db2.gz SMZBHZBEVRVGIC-ZJUUUORDSA-N 2 0 208.309 0.826 20 0 BCADRP C[C@@H](O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086723817 644469657 /nfs/dbraw/zinc/46/96/57/644469657.db2.gz OYOHETWHOZVFMN-SNVBAGLBSA-N 2 0 216.325 0.197 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923494257 644470456 /nfs/dbraw/zinc/47/04/56/644470456.db2.gz WXLULJOSJDHYHM-OLZOCXBDSA-N 2 0 244.379 0.956 20 0 BCADRP C[C@H]1C[N@H+](Cc2cncn2C)CC[C@@H]1C[NH3+] ZINC000923497315 644472741 /nfs/dbraw/zinc/47/27/41/644472741.db2.gz DOIDRTBAAJAOLV-WDEREUQCSA-N 2 0 222.336 0.837 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cnn(C)c2)CC[C@@H]1C[NH3+] ZINC000923498977 644472955 /nfs/dbraw/zinc/47/29/55/644472955.db2.gz JMKGHRBRNUOVJR-ZYHUDNBSSA-N 2 0 222.336 0.837 20 0 BCADRP COC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497529 644473496 /nfs/dbraw/zinc/47/34/96/644473496.db2.gz LUQWFDKFLZZYQD-BDAKNGLRSA-N 2 0 200.282 0.076 20 0 BCADRP COC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923497530 644473587 /nfs/dbraw/zinc/47/35/87/644473587.db2.gz LUQWFDKFLZZYQD-DTWKUNHWSA-N 2 0 200.282 0.076 20 0 BCADRP CSC[C@@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923514996 644477217 /nfs/dbraw/zinc/47/72/17/644477217.db2.gz NADRFEMQCKZVQY-BBBLOLIVSA-N 2 0 218.366 0.237 20 0 BCADRP C[C@H]1OCC[C@H]1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516174 644479105 /nfs/dbraw/zinc/47/91/05/644479105.db2.gz TYHQEUQURYBASP-MROQNXINSA-N 2 0 224.348 0.953 20 0 BCADRP C([C@H]1C[C@@]12CCOC2)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515983 644479595 /nfs/dbraw/zinc/47/95/95/644479595.db2.gz PMPMTSUNDROTFF-REWJHTLYSA-N 2 0 236.359 0.954 20 0 BCADRP COC(=O)CCCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516228 644479649 /nfs/dbraw/zinc/47/96/49/644479649.db2.gz VZVFMEYKIRARFR-NWDGAFQWSA-N 2 0 240.347 0.871 20 0 BCADRP C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)O[C@@H]1CCOC1 ZINC000923515668 644479691 /nfs/dbraw/zinc/47/96/91/644479691.db2.gz JXGFDMBYUYXNQW-YNEHKIRRSA-N 2 0 240.347 0.333 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515341 644479978 /nfs/dbraw/zinc/47/99/78/644479978.db2.gz DEUVJGBGXAJRQW-QJPTWQEYSA-N 2 0 209.337 0.280 20 0 BCADRP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923522244 644486695 /nfs/dbraw/zinc/48/66/95/644486695.db2.gz QRKGUQASIWQTOJ-QJPTWQEYSA-N 2 0 237.347 0.149 20 0 BCADRP C[NH2+]CCCN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923536580 644491551 /nfs/dbraw/zinc/49/15/51/644491551.db2.gz POSZVDQNAPVLLE-LBPRGKRZSA-N 2 0 211.353 0.814 20 0 BCADRP C[NH2+]CCCN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923536578 644492902 /nfs/dbraw/zinc/49/29/02/644492902.db2.gz POSZVDQNAPVLLE-GFCCVEGCSA-N 2 0 211.353 0.814 20 0 BCADRP COC[C@H]1COCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000923556441 644501531 /nfs/dbraw/zinc/50/15/31/644501531.db2.gz GZRVRVHDIUKIBS-NEPJUHHUSA-N 2 0 228.336 0.333 20 0 BCADRP CN(CC[NH+](C)C)C(=O)C1([NH+](C)C)CCC1 ZINC000763059418 644654445 /nfs/dbraw/zinc/65/44/45/644654445.db2.gz SZIRKNJOHODWRL-UHFFFAOYSA-N 2 0 227.352 0.491 20 0 BCADRP C[C@@H](C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H](C)[NH3+] ZINC000248502868 644683971 /nfs/dbraw/zinc/68/39/71/644683971.db2.gz ULVBXDLNHNLSRV-OUAUKWLOSA-N 2 0 239.363 0.570 20 0 BCADRP COCCN(C)CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000250020244 644746213 /nfs/dbraw/zinc/74/62/13/644746213.db2.gz YBDKNCOPKSIPNA-NWDGAFQWSA-N 2 0 229.368 0.282 20 0 BCADRP CCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000957657056 644747271 /nfs/dbraw/zinc/74/72/71/644747271.db2.gz VNICQKJEZRIOMZ-LBPRGKRZSA-N 2 0 239.363 0.492 20 0 BCADRP CC[N@@H+]1CCN(c2cc(C)[nH+]c(N)n2)C[C@H]1C ZINC000250359867 644754075 /nfs/dbraw/zinc/75/40/75/644754075.db2.gz SYVLSFAHCYIAAG-SNVBAGLBSA-N 2 0 235.335 0.898 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000308482613 711523429 /nfs/dbraw/zinc/52/34/29/711523429.db2.gz HQLCPHBDVGPBRS-UWVGGRQHSA-N 2 0 204.314 0.101 20 0 BCADRP C[C@H]1C[N@H+](CCCS(C)(=O)=O)CC[C@H]1C[NH3+] ZINC000251775556 644822586 /nfs/dbraw/zinc/82/25/86/644822586.db2.gz MQHSRVWNDYAFRS-QWRGUYRKSA-N 2 0 248.392 0.338 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000251898161 644829584 /nfs/dbraw/zinc/82/95/84/644829584.db2.gz WOUNUJHSEBOHDR-TUAOUCFPSA-N 2 0 230.352 0.443 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000251898163 644831072 /nfs/dbraw/zinc/83/10/72/644831072.db2.gz WOUNUJHSEBOHDR-UTUOFQBUSA-N 2 0 230.352 0.443 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)NC1CCC([NH3+])CC1 ZINC000304354086 644895739 /nfs/dbraw/zinc/89/57/39/644895739.db2.gz LGTVDTCCPSYAEK-ILDUYXDCSA-N 2 0 225.336 0.500 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000304414950 644904399 /nfs/dbraw/zinc/90/43/99/644904399.db2.gz YTWDGVGTCLHRAG-MNOVXSKESA-N 2 0 225.336 0.324 20 0 BCADRP O=C(NCCC[C@H]1CCC[NH2+]1)[C@]1(F)CC[NH2+]C1 ZINC000834848752 645148419 /nfs/dbraw/zinc/14/84/19/645148419.db2.gz HTGRSBHQOQYTPC-PWSUYJOCSA-N 2 0 243.326 0.336 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C[C@@H]([NH3+])C1CC1)C1CCCC1 ZINC000841855850 645230446 /nfs/dbraw/zinc/23/04/46/645230446.db2.gz IPCKWYFQMZNVKG-VXGBXAGGSA-N 2 0 239.363 0.748 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000841856041 645231325 /nfs/dbraw/zinc/23/13/25/645231325.db2.gz LJXZXWQSBJSWFH-KCJUWKMLSA-N 2 0 231.315 0.178 20 0 BCADRP C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000843324668 645283341 /nfs/dbraw/zinc/28/33/41/645283341.db2.gz QBUVSHMJRGSKDN-WOPDTQHZSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]CCCCCCCN1CCO[C@@H](C[NH3+])C1 ZINC000843369233 645284615 /nfs/dbraw/zinc/28/46/15/645284615.db2.gz HGLXPCBCLQGZGD-LBPRGKRZSA-N 2 0 229.368 0.555 20 0 BCADRP CC[C@](C)(CC(=O)OC)[NH2+]CCOCC[NH3+] ZINC000843390194 645288725 /nfs/dbraw/zinc/28/87/25/645288725.db2.gz PGBVQMNTINTPHW-LLVKDONJSA-N 2 0 232.324 0.283 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000844184219 645316446 /nfs/dbraw/zinc/31/64/46/645316446.db2.gz DWKBYCWGMJVAQG-GFCCVEGCSA-N 2 0 241.379 0.690 20 0 BCADRP CC[NH2+]CC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000844187901 645317317 /nfs/dbraw/zinc/31/73/17/645317317.db2.gz MDHZCEXMYVQZOJ-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@H](O)C1 ZINC000926734511 645392070 /nfs/dbraw/zinc/39/20/70/645392070.db2.gz YHGUMGWBGXGYQK-UMRKGXGASA-N 2 0 210.321 0.440 20 0 BCADRP C[N@@H+]1CC[C@@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925488302 645508562 /nfs/dbraw/zinc/50/85/62/645508562.db2.gz RHBZHZULNJFUPY-MNOVXSKESA-N 2 0 209.337 0.565 20 0 BCADRP CCCCOCCC[NH2+][C@H]1CNCCOC1 ZINC000925488859 645523207 /nfs/dbraw/zinc/52/32/07/645523207.db2.gz MRRKNYYEDQSBJF-LBPRGKRZSA-N 2 0 230.352 0.771 20 0 BCADRP C[C@@H](CN[C@@H]1CC[NH2+]C12CCC2)[NH+](C)C ZINC000925490138 645535587 /nfs/dbraw/zinc/53/55/87/645535587.db2.gz AUDMHUDFXKDRBA-WDEREUQCSA-N 2 0 211.353 0.811 20 0 BCADRP C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000928428230 645743149 /nfs/dbraw/zinc/74/31/49/645743149.db2.gz VUVVBODZGLHZGS-CMPLNLGQSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1C)[NH+](C)C ZINC000928429755 645747069 /nfs/dbraw/zinc/74/70/69/645747069.db2.gz RVTLXEODLYPVEC-AEJSXWLSSA-N 2 0 213.325 0.145 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000928432137 645749664 /nfs/dbraw/zinc/74/96/64/645749664.db2.gz PKNQRFXISXTPQT-UTUOFQBUSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H](C)C[NH2+]1 ZINC000876796549 645786878 /nfs/dbraw/zinc/78/68/78/645786878.db2.gz GEXRNXRYDWKHHW-JBDRJPRFSA-N 2 0 247.289 0.035 20 0 BCADRP C[C@H](CN[C@@H]1C[NH2+]CCOC1)C[NH+]1CCCC1 ZINC000925482566 645869030 /nfs/dbraw/zinc/86/90/30/645869030.db2.gz VXFCHENOAVGFCB-CHWSQXEVSA-N 2 0 241.379 0.296 20 0 BCADRP C[C@H](CN[C@H]1C[NH2+]CCOC1)C[NH+]1CCCC1 ZINC000925482568 645869233 /nfs/dbraw/zinc/86/92/33/645869233.db2.gz VXFCHENOAVGFCB-OLZOCXBDSA-N 2 0 241.379 0.296 20 0 BCADRP CN(C(=O)[C@H]1C[NH2+]CC1(C)C)C1(C[NH3+])CCC1 ZINC000884299762 645873829 /nfs/dbraw/zinc/87/38/29/645873829.db2.gz DPKMZHUSBVEPTR-SNVBAGLBSA-N 2 0 239.363 0.572 20 0 BCADRP CCCNC(=[NH2+])NC[C@@H](C)[N@H+](C)C1CC1 ZINC000221887538 645893920 /nfs/dbraw/zinc/89/39/20/645893920.db2.gz SHRVDDSBULMCSH-SECBINFHSA-N 2 0 212.341 0.993 20 0 BCADRP [NH3+]C1CCC(NC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000929065881 645931195 /nfs/dbraw/zinc/93/11/95/645931195.db2.gz ZSSBQXZHTHSLET-ILDUYXDCSA-N 2 0 240.351 0.308 20 0 BCADRP C[C@H](O)[C@@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000929282138 646060272 /nfs/dbraw/zinc/06/02/72/646060272.db2.gz HLGQEVLBBDOQIQ-JQWIXIFHSA-N 2 0 230.352 0.002 20 0 BCADRP C[C@H](CO)[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000924752900 646100642 /nfs/dbraw/zinc/10/06/42/646100642.db2.gz IEXAJZRIPZNLJM-GRYCIOLGSA-N 2 0 212.337 0.974 20 0 BCADRP C[N@@H+]1CCC[C@@H](CN[C@H]2C(=O)NCC2(C)C)C1 ZINC000925011568 646158154 /nfs/dbraw/zinc/15/81/54/646158154.db2.gz QVJNIKYTHGLEIO-QWRGUYRKSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)C2(O)CCC2)C1 ZINC000929639540 646214746 /nfs/dbraw/zinc/21/47/46/646214746.db2.gz POBUJALVSDZHBL-NEPJUHHUSA-N 2 0 242.363 0.146 20 0 BCADRP CC[C@@H](CO)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000929638029 646217426 /nfs/dbraw/zinc/21/74/26/646217426.db2.gz UHTKDCVYXBFSIX-MNOVXSKESA-N 2 0 200.326 0.641 20 0 BCADRP C[C@H](CCNC(=O)NC[C@H]1CC[N@@H+]1C)[NH+](C)C ZINC000925436023 646281858 /nfs/dbraw/zinc/28/18/58/646281858.db2.gz VVMIAJTZSQMZQF-GHMZBOCLSA-N 2 0 242.367 0.330 20 0 BCADRP C[C@@H](CN[C@@H]1C[NH2+]CCOC1)[N@H+](C)C1CC1 ZINC000925496284 646292892 /nfs/dbraw/zinc/29/28/92/646292892.db2.gz PUYPHIULLNCUPO-WDEREUQCSA-N 2 0 227.352 0.047 20 0 BCADRP CCC[NH+]1CCC(N(C)C[C@@H](O)CO)CC1 ZINC000929778272 646306901 /nfs/dbraw/zinc/30/69/01/646306901.db2.gz SFPVKRRHZHOARW-GFCCVEGCSA-N 2 0 230.352 0.146 20 0 BCADRP COCCC[N@H+](C)CCN[C@H]1CC[NH2+]C1(C)C ZINC000925520323 646310626 /nfs/dbraw/zinc/31/06/26/646310626.db2.gz XCLBGODCTKFEMN-LBPRGKRZSA-N 2 0 243.395 0.685 20 0 BCADRP COCCC[N@H+](C)CCN[C@@H]1CCC[NH2+][C@H]1C ZINC000925519626 646312612 /nfs/dbraw/zinc/31/26/12/646312612.db2.gz VAMFDMJGXCDPSA-QWHCGFSZSA-N 2 0 243.395 0.685 20 0 BCADRP COCCOCCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925518238 646312887 /nfs/dbraw/zinc/31/28/87/646312887.db2.gz JANUAQSZKJSRQB-NSHDSACASA-N 2 0 230.352 0.770 20 0 BCADRP COCCC[N@H+](C)CCN[C@H]1CCC[NH2+][C@H]1C ZINC000925519627 646313610 /nfs/dbraw/zinc/31/36/10/646313610.db2.gz VAMFDMJGXCDPSA-STQMWFEESA-N 2 0 243.395 0.685 20 0 BCADRP CC(=O)NCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925521182 646315678 /nfs/dbraw/zinc/31/56/78/646315678.db2.gz YNRJNJZNZVERQR-LBPRGKRZSA-N 2 0 239.363 0.777 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(COC)COC)C1 ZINC000929789405 646317013 /nfs/dbraw/zinc/31/70/13/646317013.db2.gz FAPXZVPHGKNAJH-LBPRGKRZSA-N 2 0 244.379 0.921 20 0 BCADRP COCC[N@H+](C)CCCN[C@H]1CCC[NH2+][C@H]1C ZINC000925543988 646317570 /nfs/dbraw/zinc/31/75/70/646317570.db2.gz PAIBTRIJKIWXJI-STQMWFEESA-N 2 0 243.395 0.685 20 0 BCADRP C[C@@H](C[NH+]1CCCCC1)N[C@@H]1C[NH2+]CCOC1 ZINC000925535982 646321584 /nfs/dbraw/zinc/32/15/84/646321584.db2.gz BGMIHEUUWYRKNM-QWHCGFSZSA-N 2 0 241.379 0.439 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925540719 646321749 /nfs/dbraw/zinc/32/17/49/646321749.db2.gz FENDNIBZFJKWTD-RWMBFGLXSA-N 2 0 241.379 0.437 20 0 BCADRP C[C@@H]1CCC[N@H+](CCN[C@H]2C[NH2+]CCOC2)C1 ZINC000925550389 646327112 /nfs/dbraw/zinc/32/71/12/646327112.db2.gz LUDUNSGZYZGCBZ-OLZOCXBDSA-N 2 0 241.379 0.296 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925574510 646342364 /nfs/dbraw/zinc/34/23/64/646342364.db2.gz RKKJXNIOCPCPEN-QWHCGFSZSA-N 2 0 241.379 0.439 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925576760 646345121 /nfs/dbraw/zinc/34/51/21/646345121.db2.gz YPHXLKIFFHFHJB-LSKIRQOJSA-N 2 0 239.363 0.617 20 0 BCADRP C[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925610620 646359242 /nfs/dbraw/zinc/35/92/42/646359242.db2.gz IFIQYFAIUYBFHG-AEJSXWLSSA-N 2 0 200.326 0.863 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCOCCO)C1 ZINC000925610649 646359583 /nfs/dbraw/zinc/35/95/83/646359583.db2.gz IPQSVBINZLQNAW-GHMZBOCLSA-N 2 0 230.352 0.491 20 0 BCADRP C[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925610623 646359780 /nfs/dbraw/zinc/35/97/80/646359780.db2.gz IFIQYFAIUYBFHG-LPEHRKFASA-N 2 0 200.326 0.863 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000925611162 646360208 /nfs/dbraw/zinc/36/02/08/646360208.db2.gz AWXCLTWLZDGYQJ-VXGBXAGGSA-N 2 0 241.379 0.173 20 0 BCADRP COC[C@H](O)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925626226 646372214 /nfs/dbraw/zinc/37/22/14/646372214.db2.gz MDHIMECHMJEWHB-IJLUTSLNSA-N 2 0 244.379 0.879 20 0 BCADRP C[C@@H](O)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925628966 646374484 /nfs/dbraw/zinc/37/44/84/646374484.db2.gz IFIQYFAIUYBFHG-UTLUCORTSA-N 2 0 200.326 0.863 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCOCCO ZINC000925632235 646377028 /nfs/dbraw/zinc/37/70/28/646377028.db2.gz PXUINFIJVIGFCR-SNVBAGLBSA-N 2 0 216.325 0.116 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCOCCO)C1 ZINC000925630415 646377150 /nfs/dbraw/zinc/37/71/50/646377150.db2.gz AZXNJMIBFUUCBB-RYUDHWBXSA-N 2 0 244.379 0.881 20 0 BCADRP C[NH+](C)CCOCCN[C@@H]1CC[NH2+]C1(C)C ZINC000925649996 646390559 /nfs/dbraw/zinc/39/05/59/646390559.db2.gz QOJYVIRMYYDYSM-LLVKDONJSA-N 2 0 229.368 0.295 20 0 BCADRP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925670866 646401078 /nfs/dbraw/zinc/40/10/78/646401078.db2.gz AFFVAOMRPGSFTH-HBNTYKKESA-N 2 0 211.353 0.796 20 0 BCADRP C[N@@H+]1CCC[C@@H](CCN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925686375 646412775 /nfs/dbraw/zinc/41/27/75/646412775.db2.gz SKUPHKONDHVJSJ-QWHCGFSZSA-N 2 0 241.379 0.296 20 0 BCADRP C1[NH2+][C@H]2[C@H](NC3CC[NH2+]CC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000925689673 646415206 /nfs/dbraw/zinc/41/52/06/646415206.db2.gz HVRRFIXGYFJEFY-XZPDDHLCSA-N 2 0 221.348 0.324 20 0 BCADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2O)C12CCC2 ZINC000925689893 646416608 /nfs/dbraw/zinc/41/66/08/646416608.db2.gz DBWQEAADGDWGEZ-ZNSHCXBVSA-N 2 0 210.321 0.759 20 0 BCADRP [NH3+][C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]C2)C12CCC2 ZINC000925690701 646416872 /nfs/dbraw/zinc/41/68/72/646416872.db2.gz GUCQEHMAMKGBML-UTUOFQBUSA-N 2 0 223.364 0.846 20 0 BCADRP C(C[NH2+]C1CC1)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925691826 646418133 /nfs/dbraw/zinc/41/81/33/646418133.db2.gz KCRSKHYMCMKJHW-WXDOIIRRSA-N 2 0 221.348 0.324 20 0 BCADRP CC1(C)[C@H](N[C@H]2CC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925695120 646419220 /nfs/dbraw/zinc/41/92/20/646419220.db2.gz WMMSALHRHPBXIQ-WHOHXGKFSA-N 2 0 223.364 0.715 20 0 BCADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)C12CCC2 ZINC000925693906 646419225 /nfs/dbraw/zinc/41/92/25/646419225.db2.gz SPMWBPALMDUQCX-GMTAPVOTSA-N 2 0 209.337 0.598 20 0 BCADRP [NH3+]CCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925694422 646419320 /nfs/dbraw/zinc/41/93/20/646419320.db2.gz UIPHHOYQFSZBGS-RYUDHWBXSA-N 2 0 211.353 0.703 20 0 BCADRP C1[NH2+][C@H]2[C@H](N[C@H]3CCC[NH2+]C3)[C@H]3C[C@H]1[C@@H]2C3 ZINC000925697398 646421183 /nfs/dbraw/zinc/42/11/83/646421183.db2.gz FQGSPPAARJIYNN-LIBFEPKXSA-N 2 0 221.348 0.324 20 0 BCADRP C(N[C@H]1CC[NH2+]C12CCCC2)C1C[NH2+]C1 ZINC000925698093 646422957 /nfs/dbraw/zinc/42/29/57/646422957.db2.gz IOWQEDDBCALHTI-NSHDSACASA-N 2 0 209.337 0.470 20 0 BCADRP C(N[C@@H]1CC[NH2+]C12CCCC2)C1C[NH2+]C1 ZINC000925698092 646423666 /nfs/dbraw/zinc/42/36/66/646423666.db2.gz IOWQEDDBCALHTI-LLVKDONJSA-N 2 0 209.337 0.470 20 0 BCADRP CC[NH2+][C@H](C)CN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925697838 646423757 /nfs/dbraw/zinc/42/37/57/646423757.db2.gz BANNGMLIZCETBC-GMTAPVOTSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1)[NH2+]2 ZINC000925702010 646424884 /nfs/dbraw/zinc/42/48/84/646424884.db2.gz JFLZKVJHSRBTOG-WUFAPUTGSA-N 2 0 237.347 0.369 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000925701392 646425535 /nfs/dbraw/zinc/42/55/35/646425535.db2.gz YRISQGNWHLQQQS-WOPDTQHZSA-N 2 0 223.364 0.859 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000925700503 646425685 /nfs/dbraw/zinc/42/56/85/646425685.db2.gz QLADEDIGBSTYCS-QWRGUYRKSA-N 2 0 211.353 0.859 20 0 BCADRP C[N@H+]1CC=C(C[NH2+][C@H]2CN3C[C@@H]2CCC3)CC1 ZINC000925703978 646429031 /nfs/dbraw/zinc/42/90/31/646429031.db2.gz FPKUTEBDGOIJHO-KBPBESRZSA-N 2 0 235.375 0.932 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCCS(C)(=O)=O ZINC000925707295 646432153 /nfs/dbraw/zinc/43/21/53/646432153.db2.gz OVTSBRGJGXIEJL-SNVBAGLBSA-N 2 0 248.392 0.541 20 0 BCADRP [NH3+][C@H]1C[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C12CCC2 ZINC000925707545 646432359 /nfs/dbraw/zinc/43/23/59/646432359.db2.gz LEIRDEQSVWENIB-NAKRPEOUSA-N 2 0 227.327 0.546 20 0 BCADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]C[C@@H]1CCCO1 ZINC000925707988 646432577 /nfs/dbraw/zinc/43/25/77/646432577.db2.gz QTEYYPRELFPCDS-QWQWKMKNSA-N 2 0 240.347 0.507 20 0 BCADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2CCCC[NH2+]C2)C12CCC2 ZINC000925710537 646433923 /nfs/dbraw/zinc/43/39/23/646433923.db2.gz WROJQUSFVDGFHO-IJLUTSLNSA-N 2 0 223.364 0.988 20 0 BCADRP [NH3+][C@@H]1C[C@H](N[C@H]2CCCC[NH2+]C2)C12CCC2 ZINC000925710539 646434409 /nfs/dbraw/zinc/43/44/09/646434409.db2.gz WROJQUSFVDGFHO-TUAOUCFPSA-N 2 0 223.364 0.988 20 0 BCADRP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)CO1 ZINC000925710456 646435200 /nfs/dbraw/zinc/43/52/00/646435200.db2.gz KEPIYYGNURTSHD-QKFSQAGISA-N 2 0 240.347 0.506 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925712352 646437252 /nfs/dbraw/zinc/43/72/52/646437252.db2.gz OZULCCKSVCDDAE-GWOFURMSSA-N 2 0 226.320 0.260 20 0 BCADRP [NH3+]C1(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCCC1 ZINC000925713292 646439735 /nfs/dbraw/zinc/43/97/35/646439735.db2.gz UJJZHUJPQLJPAW-NWBUJAPZSA-N 2 0 235.375 0.844 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCC[NH2+][C@H]1C ZINC000925718955 646440976 /nfs/dbraw/zinc/44/09/76/646440976.db2.gz KSMKJTADFAIZIH-FIQHERPVSA-N 2 0 211.353 0.857 20 0 BCADRP CC(C)[C@H]([NH3+])CCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925715700 646441234 /nfs/dbraw/zinc/44/12/34/646441234.db2.gz LEGRHMYYOLLOLP-QEHJDLSMSA-N 2 0 237.391 0.946 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925718943 646442174 /nfs/dbraw/zinc/44/21/74/646442174.db2.gz KOXUMLCTLNFJIR-NEPJUHHUSA-N 3 0 243.395 0.718 20 0 BCADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2COCCN2)C[C@@H]([NH3+])C1 ZINC000925719739 646444580 /nfs/dbraw/zinc/44/45/80/646444580.db2.gz VLJHOHRYPSKUTE-GRYCIOLGSA-N 2 0 241.379 0.470 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1COCCN1 ZINC000925719369 646444988 /nfs/dbraw/zinc/44/49/88/646444988.db2.gz SXHHYOWNKXRCKM-IJLVLRJLSA-N 2 0 239.363 0.080 20 0 BCADRP C[C@@H]1CC[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)C[NH2+]1 ZINC000925719666 646445015 /nfs/dbraw/zinc/44/50/15/646445015.db2.gz ULJUSUXCUPSKMC-NOOOWODRSA-N 2 0 223.364 0.986 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925725587 646448436 /nfs/dbraw/zinc/44/84/36/646448436.db2.gz AUGGSVRQKIQHNQ-YTWAJWBKSA-N 3 0 209.337 0.583 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925726546 646451678 /nfs/dbraw/zinc/45/16/78/646451678.db2.gz UCFVGCGIJZYEIZ-VXGBXAGGSA-N 2 0 241.379 0.343 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925726560 646451897 /nfs/dbraw/zinc/45/18/97/646451897.db2.gz JLFURXDROLOGPZ-TUAOUCFPSA-N 3 0 223.364 0.988 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1C[C@H](O)C1 ZINC000925727966 646451928 /nfs/dbraw/zinc/45/19/28/646451928.db2.gz CLARQBPFWWSNGE-XTNUVVLKSA-N 2 0 224.348 0.863 20 0 BCADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CNCCOC2)CC1 ZINC000925726651 646451975 /nfs/dbraw/zinc/45/19/75/646451975.db2.gz VMLNLWXUHZEHPS-IJLUTSLNSA-N 2 0 227.352 0.082 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925725583 646451996 /nfs/dbraw/zinc/45/19/96/646451996.db2.gz AUGGSVRQKIQHNQ-LMLFDSFASA-N 3 0 209.337 0.583 20 0 BCADRP CC1(C)C[C@@H]([NH2+]C2CC(C(N)=O)C2)C[C@@H]([NH3+])C1 ZINC000925729025 646453363 /nfs/dbraw/zinc/45/33/63/646453363.db2.gz OCGBBFHRINNCLM-DJRKXVOMSA-N 2 0 239.363 0.746 20 0 BCADRP CCC1([NH3+])CC[NH+]([C@H](C)CC(N)=O)CC1 ZINC000925758999 646466077 /nfs/dbraw/zinc/46/60/77/646466077.db2.gz JVWZEQRCXFDBLU-SECBINFHSA-N 2 0 213.325 0.454 20 0 BCADRP Nc1cc[nH+]c(CN[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000925765784 646466994 /nfs/dbraw/zinc/46/69/94/646466994.db2.gz FHFWPGLLORQFSN-WDEREUQCSA-N 2 0 206.293 0.633 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CO)C[C@H]2CCCO2)C1 ZINC000925766263 646468307 /nfs/dbraw/zinc/46/83/07/646468307.db2.gz ILOMABVCSFSQMT-YVECIDJPSA-N 2 0 242.363 0.776 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1NCc1cc(N)cc[nH+]1 ZINC000925770774 646470519 /nfs/dbraw/zinc/47/05/19/646470519.db2.gz JAFYJVDBEZUCMK-BXKDBHETSA-N 2 0 220.320 0.704 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1NCc1cc(N)cc[nH+]1 ZINC000925770777 646470974 /nfs/dbraw/zinc/47/09/74/646470974.db2.gz JAFYJVDBEZUCMK-SKDRFNHKSA-N 2 0 220.320 0.704 20 0 BCADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000925773625 646472440 /nfs/dbraw/zinc/47/24/40/646472440.db2.gz FEKXDCCQDWISDK-UMSGYPCISA-N 2 0 242.363 0.897 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1nnc2ccccn21 ZINC000925779834 646477915 /nfs/dbraw/zinc/47/79/15/646477915.db2.gz MXWRVWNLOXLMOR-MNOVXSKESA-N 2 0 247.346 0.987 20 0 BCADRP C[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000925781981 646478752 /nfs/dbraw/zinc/47/87/52/646478752.db2.gz ZSXCMPFXCZAULV-DDHJBXDOSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)O1 ZINC000925783091 646478782 /nfs/dbraw/zinc/47/87/82/646478782.db2.gz BXRPZZNEUOGUPW-GCHJQGSQSA-N 2 0 212.337 0.997 20 0 BCADRP C[C@H](NC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000925783548 646478786 /nfs/dbraw/zinc/47/87/86/646478786.db2.gz DHPZENRFEDSNHM-NOOOWODRSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000925787040 646482487 /nfs/dbraw/zinc/48/24/87/646482487.db2.gz RYFXQNOQDUPMPL-NOOOWODRSA-N 3 0 211.353 0.559 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925787453 646483821 /nfs/dbraw/zinc/48/38/21/646483821.db2.gz SNMVKFPIGNNZKL-WISYIIOYSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925797623 646487110 /nfs/dbraw/zinc/48/71/10/646487110.db2.gz URUMYBRFPJRFMK-NIDFBQPUSA-N 3 0 249.402 0.818 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925802977 646488712 /nfs/dbraw/zinc/48/87/12/646488712.db2.gz KZEQZLUFALAVEE-UPJWGTAASA-N 3 0 243.395 0.576 20 0 BCADRP [NH3+]C1CCN(CC[NH2+][C@@H]2CCCSC2)CC1 ZINC000925816416 646491850 /nfs/dbraw/zinc/49/18/50/646491850.db2.gz XSJMCTLMSUXJMU-GFCCVEGCSA-N 2 0 243.420 0.895 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817456 646493297 /nfs/dbraw/zinc/49/32/97/646493297.db2.gz SMXHRCWOVRCGIY-WDEREUQCSA-N 3 0 228.384 0.125 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817453 646494207 /nfs/dbraw/zinc/49/42/07/646494207.db2.gz SMXHRCWOVRCGIY-GHMZBOCLSA-N 3 0 228.384 0.125 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC1CC(CC(N)=O)C1 ZINC000925821728 646494998 /nfs/dbraw/zinc/49/49/98/646494998.db2.gz IILJEHUTYMWRTI-RTBKNWGFSA-N 2 0 225.336 0.371 20 0 BCADRP CCN1CCC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C1=O ZINC000925828166 646499733 /nfs/dbraw/zinc/49/97/33/646499733.db2.gz VOAYGQJTXGRQIF-AXFHLTTASA-N 2 0 227.352 0.713 20 0 BCADRP Cc1cc(CC[NH2+]C2CC[NH2+]CC2)nn1C ZINC000925833301 646501416 /nfs/dbraw/zinc/50/14/16/646501416.db2.gz HSOFJIBXNDBBSC-UHFFFAOYSA-N 2 0 222.336 0.613 20 0 BCADRP Cc1cc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])nn1C ZINC000925834275 646503097 /nfs/dbraw/zinc/50/30/97/646503097.db2.gz MEWHRCKZTYPZPR-WCQYABFASA-N 2 0 236.363 0.988 20 0 BCADRP CCO[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)C[NH+](C)C ZINC000925836446 646503111 /nfs/dbraw/zinc/50/31/11/646503111.db2.gz KXIMNTKLNIUZEP-AVGNSLFASA-N 2 0 243.395 0.683 20 0 BCADRP CCO[C@H](CN[C@@H](C)C[C@H](C)[NH3+])C[NH+](C)C ZINC000925838119 646504016 /nfs/dbraw/zinc/50/40/16/646504016.db2.gz JXJNTXNGEDBMQT-SDDRHHMPSA-N 2 0 231.384 0.669 20 0 BCADRP CCO[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)C[NH+](C)C ZINC000925836228 646504905 /nfs/dbraw/zinc/50/49/05/646504905.db2.gz JCJGWZHDTDMCHM-FRRDWIJNSA-N 2 0 243.395 0.813 20 0 BCADRP CCO[C@H](CN[C@H](C)C[C@H](C)[NH3+])C[NH+](C)C ZINC000925838118 646505062 /nfs/dbraw/zinc/50/50/62/646505062.db2.gz JXJNTXNGEDBMQT-QJPTWQEYSA-N 2 0 231.384 0.669 20 0 BCADRP CCO[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1C)C[NH+](C)C ZINC000925837691 646505329 /nfs/dbraw/zinc/50/53/29/646505329.db2.gz HRHPJAKDKKXECY-YNEHKIRRSA-N 2 0 243.395 0.541 20 0 BCADRP CC1(C)C[C@@H]([NH2+][C@@H]2CNOC2)C[C@@H]([NH3+])C1 ZINC000925860594 646513113 /nfs/dbraw/zinc/51/31/13/646513113.db2.gz SDQQVJATFGPDNI-KXUCPTDWSA-N 2 0 213.325 0.385 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CNOC2)[C@H]2CCC[C@@H]21 ZINC000925865315 646517074 /nfs/dbraw/zinc/51/70/74/646517074.db2.gz GGQOSDDEPYNHRY-USZNOCQGSA-N 2 0 225.336 0.352 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@H]2CNOC2)C1 ZINC000925865838 646518968 /nfs/dbraw/zinc/51/89/68/646518968.db2.gz SDQQVJATFGPDNI-AEJSXWLSSA-N 2 0 213.325 0.385 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCOC1CCOCC1 ZINC000925877414 646527306 /nfs/dbraw/zinc/52/73/06/646527306.db2.gz IAFPBVUZHUGPEB-WCQYABFASA-N 2 0 242.363 0.899 20 0 BCADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879682 646528943 /nfs/dbraw/zinc/52/89/43/646528943.db2.gz IFIVICRNVDPTKJ-QNWHQSFQSA-N 2 0 241.379 0.470 20 0 BCADRP C[C@@H]1CCNC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879357 646529705 /nfs/dbraw/zinc/52/97/05/646529705.db2.gz BWEZZPYOCJIIBO-WISYIIOYSA-N 2 0 211.353 0.701 20 0 BCADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCC[NH2+]1 ZINC000925880336 646529787 /nfs/dbraw/zinc/52/97/87/646529787.db2.gz PHVRMSACXZBQCJ-WISYIIOYSA-N 3 0 211.353 0.844 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](O)c1ccnn1C ZINC000925888883 646533515 /nfs/dbraw/zinc/53/35/15/646533515.db2.gz GGJGGJWVMRATCM-JQWIXIFHSA-N 2 0 240.351 0.561 20 0 BCADRP Cn1ccc(CC[NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](C)C3)n1 ZINC000926171031 646589265 /nfs/dbraw/zinc/58/92/65/646589265.db2.gz NLIWEDQSBLFZRS-ONXXMXGDSA-N 2 0 248.374 0.892 20 0 BCADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccnnc1 ZINC000926252882 646605444 /nfs/dbraw/zinc/60/54/44/646605444.db2.gz FCHXUIKPTBDFOC-LLVKDONJSA-N 2 0 238.335 0.705 20 0 BCADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccnnc1 ZINC000926252883 646605985 /nfs/dbraw/zinc/60/59/85/646605985.db2.gz FCHXUIKPTBDFOC-NSHDSACASA-N 2 0 238.335 0.705 20 0 BCADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)C(C)(C)CO ZINC000926255466 646606245 /nfs/dbraw/zinc/60/62/45/646606245.db2.gz RKHDEFCGYLNBLM-LLVKDONJSA-N 2 0 232.368 0.561 20 0 BCADRP CN(C[C@H]1CCC[N@@H+]1C)N1CC[C@H](CC[NH3+])C1 ZINC000926383131 646630022 /nfs/dbraw/zinc/63/00/22/646630022.db2.gz QYNBQWNUMIVGKF-QWHCGFSZSA-N 2 0 240.395 0.598 20 0 BCADRP COC[C@H](C)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723708771 711535249 /nfs/dbraw/zinc/53/52/49/711535249.db2.gz ICHKAEHCJAXKOI-GHMZBOCLSA-N 2 0 200.326 0.940 20 0 BCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723886954 711543084 /nfs/dbraw/zinc/54/30/84/711543084.db2.gz OZQUCEPXNPQSSS-GHMZBOCLSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1CC[NH3+] ZINC000723884640 711543540 /nfs/dbraw/zinc/54/35/40/711543540.db2.gz UQBBPCNIZJQZJA-VXGBXAGGSA-N 2 0 222.336 0.800 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC(=O)NC2CC[NH2+]CC2)C1 ZINC000891962730 711561954 /nfs/dbraw/zinc/56/19/54/711561954.db2.gz XJNWPRSFFRDDIG-ONGXEEELSA-N 2 0 240.351 0.308 20 0 BCADRP C[C@@H]1C[N@H+](CCO[C@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000724912405 711627024 /nfs/dbraw/zinc/62/70/24/711627024.db2.gz CWOFGRGSHXIXCA-WOPDTQHZSA-N 2 0 228.336 0.461 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720900777 711686979 /nfs/dbraw/zinc/68/69/79/711686979.db2.gz QTKCCNNRRIXYSY-DCAQKATOSA-N 2 0 225.336 0.419 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925787920 711751818 /nfs/dbraw/zinc/75/18/18/711751818.db2.gz WXJVFQKPNKJKTD-RHYQMDGZSA-N 2 0 223.364 0.701 20 0 BCADRP Cc1cc(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])nn1C ZINC000925833869 711760055 /nfs/dbraw/zinc/76/00/55/711760055.db2.gz LCMNECFGKUUFMW-NWDGAFQWSA-N 2 0 222.336 0.740 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(C)(C)O)C1 ZINC000721835312 711779448 /nfs/dbraw/zinc/77/94/48/711779448.db2.gz FTRRWRJBYMXDRQ-NEPJUHHUSA-N 2 0 244.379 0.392 20 0 BCADRP C[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000928564418 711778581 /nfs/dbraw/zinc/77/85/81/711778581.db2.gz UHCPUQQNECTRLT-NSHDSACASA-N 2 0 225.336 0.149 20 0 BCADRP CC[S@@](=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159980172 711805547 /nfs/dbraw/zinc/80/55/47/711805547.db2.gz VEIAJRCNTSONLX-HSMVNMDESA-N 2 0 244.404 0.971 20 0 BCADRP OC[C@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000160686422 711809315 /nfs/dbraw/zinc/80/93/15/711809315.db2.gz PHMFYQNKNQAXHV-CYBMUJFWSA-N 2 0 242.363 0.147 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724174 711893406 /nfs/dbraw/zinc/89/34/06/711893406.db2.gz MTILQJLYMFVXPO-VXGBXAGGSA-N 2 0 230.352 0.445 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1CCCOC1)C2 ZINC000702075968 712038074 /nfs/dbraw/zinc/03/80/74/712038074.db2.gz IYMNINOVINCFDY-RWMBFGLXSA-N 2 0 224.348 0.954 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@H]1C ZINC000706762868 712154323 /nfs/dbraw/zinc/15/43/23/712154323.db2.gz PPQAJDYYXIMFND-MNOVXSKESA-N 2 0 200.326 0.782 20 0 BCADRP CSC1CC([NH2+]C[C@@]2(O)CCN(C)C2)C1 ZINC000706813724 712156396 /nfs/dbraw/zinc/15/63/96/712156396.db2.gz DTKQZWROWJSZIA-ILDUYXDCSA-N 2 0 230.377 0.537 20 0 BCADRP CC[C@H](CO)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000707891350 712172240 /nfs/dbraw/zinc/17/22/40/712172240.db2.gz CUBIMLVGOAXZBL-MNOVXSKESA-N 2 0 200.326 0.831 20 0 BCADRP C[C@H]1COC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000710845030 712258954 /nfs/dbraw/zinc/25/89/54/712258954.db2.gz MFVASIATTOFYQP-QWRGUYRKSA-N 2 0 228.336 0.068 20 0 BCADRP C[C@H](CCNC(=O)[C@H]1C[NH2+]CC1(C)C)[NH+](C)C ZINC000711383919 712297920 /nfs/dbraw/zinc/29/79/20/712297920.db2.gz FYXWGIPXUSDMAL-GHMZBOCLSA-N 2 0 241.379 0.688 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C[C@H]1CCC[NH2+]1 ZINC000923434881 712322497 /nfs/dbraw/zinc/32/24/97/712322497.db2.gz BPUNPGXTAZHYEC-WRWGMCAJSA-N 2 0 211.353 0.809 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C[C@H]1CCC[NH2+]1 ZINC000923434880 712322499 /nfs/dbraw/zinc/32/24/99/712322499.db2.gz BPUNPGXTAZHYEC-NOOOWODRSA-N 2 0 211.353 0.809 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000379462114 712384871 /nfs/dbraw/zinc/38/48/71/712384871.db2.gz UETZDRNCZBDXQQ-ATZCPNFKSA-N 2 0 213.325 0.099 20 0 BCADRP Cn1ncc(C[N@H+](C)C2CCC([NH3+])CC2)n1 ZINC000390461565 712418068 /nfs/dbraw/zinc/41/80/68/712418068.db2.gz CNGPOOBEKIHBNJ-UHFFFAOYSA-N 2 0 223.324 0.517 20 0 BCADRP CN1CC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000712558487 712445880 /nfs/dbraw/zinc/44/58/80/712445880.db2.gz PQRCPAHXDWTULI-FRRDWIJNSA-N 2 0 223.364 0.907 20 0 BCADRP CC(C)([NH3+])CC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000379825307 712613318 /nfs/dbraw/zinc/61/33/18/712613318.db2.gz VYGGMQOBGBZCTD-VIFPVBQESA-N 2 0 234.365 0.281 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132946056 712639588 /nfs/dbraw/zinc/63/95/88/712639588.db2.gz KGHUYPSDLAIZHM-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000037481417 712648254 /nfs/dbraw/zinc/64/82/54/712648254.db2.gz JRAXMJFRLKYXLN-LBPRGKRZSA-N 2 0 227.352 0.716 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000380176027 712706158 /nfs/dbraw/zinc/70/61/58/712706158.db2.gz XSEJPDHEYXWTSX-CHWSQXEVSA-N 2 0 241.379 0.256 20 0 BCADRP O[C@@H](C[NH2+]C[C@H]1CCC=CO1)C[NH+]1CCCC1 ZINC000380209145 712725651 /nfs/dbraw/zinc/72/56/51/712725651.db2.gz HBOSMZPGSYSKHA-QWHCGFSZSA-N 2 0 240.347 0.725 20 0 BCADRP NC(=O)CC1CC([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000718408042 712759517 /nfs/dbraw/zinc/75/95/17/712759517.db2.gz WRWFBIZWNVIONX-YIYTYNFBSA-N 2 0 225.336 0.357 20 0 BCADRP NC(=O)CC1CC([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000718554175 712769052 /nfs/dbraw/zinc/76/90/52/712769052.db2.gz STNYQWITBKZZHO-JPPWEJMLSA-N 2 0 237.347 0.500 20 0 BCADRP C[N@H+](CCCC(C)(F)F)C[C@@H](O)C[NH3+] ZINC000718721599 712778653 /nfs/dbraw/zinc/77/86/53/712778653.db2.gz ILSSQODUWAFUKM-QMMMGPOBSA-N 2 0 210.268 0.673 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000038029466 712799971 /nfs/dbraw/zinc/79/99/71/712799971.db2.gz ACBMTIJIOPACQO-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CC[NH+]1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000038258975 712830332 /nfs/dbraw/zinc/83/03/32/712830332.db2.gz QYLADNDRRQCPJD-UHFFFAOYSA-N 2 0 221.308 0.509 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720897364 712876730 /nfs/dbraw/zinc/87/67/30/712876730.db2.gz HATCIPPQPKDZAP-MNOVXSKESA-N 2 0 225.336 0.291 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720896719 712876740 /nfs/dbraw/zinc/87/67/40/712876740.db2.gz DHSIGCVARHPOKH-SRVKXCTJSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000721074589 712889811 /nfs/dbraw/zinc/88/98/11/712889811.db2.gz PVVYSHIYAWGLCF-KKOKHZNYSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)c1ccc(C[NH3+])cc1 ZINC000381464127 710639870 /nfs/dbraw/zinc/63/98/70/710639870.db2.gz LZKDPABNZLQRBH-QMMMGPOBSA-N 2 0 207.277 0.222 20 0 BCADRP CC[C@H]1C(=O)NCC[N@H+]1CCCCCC[NH3+] ZINC000381590328 710659624 /nfs/dbraw/zinc/65/96/24/710659624.db2.gz CWVAIDGTJIMOIZ-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000381754772 710702251 /nfs/dbraw/zinc/70/22/51/710702251.db2.gz RXMIXFFKWZRRQT-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039028039 710717153 /nfs/dbraw/zinc/71/71/53/710717153.db2.gz LZKYIVLIBMDYPU-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000723548351 710727889 /nfs/dbraw/zinc/72/78/89/710727889.db2.gz UCYXFCMNFLJLSB-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCO[C@@H]1CCOC1 ZINC000724921488 710749175 /nfs/dbraw/zinc/74/91/75/710749175.db2.gz LTGPIVLIDNFEOC-QWHCGFSZSA-N 2 0 242.363 0.995 20 0 BCADRP C[NH2+]CC1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000724922194 710749357 /nfs/dbraw/zinc/74/93/57/710749357.db2.gz PFFFTIPVRJOIIR-CYBMUJFWSA-N 2 0 242.363 0.723 20 0 BCADRP C[C@@H]1C[N@H+](CCO[C@H]2CCOC2)CC[C@H]1C[NH3+] ZINC000724995986 710752840 /nfs/dbraw/zinc/75/28/40/710752840.db2.gz XSZCSKLWKMOMGU-AGIUHOORSA-N 2 0 242.363 0.709 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC1CCC([NH3+])CC1 ZINC000383166667 710978192 /nfs/dbraw/zinc/97/81/92/710978192.db2.gz OVLBQVLDJVLMEU-SILCLGDVSA-N 2 0 225.336 0.513 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1CC[NH+](CC2CC2)CC1 ZINC000383338852 710979954 /nfs/dbraw/zinc/97/99/54/710979954.db2.gz JRQBKTWCSWNVHW-LLVKDONJSA-N 2 0 247.333 0.997 20 0 BCADRP C[C@H](CO)CCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000383298613 710980229 /nfs/dbraw/zinc/98/02/29/710980229.db2.gz LKUYRFBQZYPGCG-VZKILSJISA-N 2 0 238.375 0.981 20 0 BCADRP CC(C)[N@H+](C)CCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000383360219 710980798 /nfs/dbraw/zinc/98/07/98/710980798.db2.gz WGOSZRAAVYSPSL-YHQUGGNUSA-N 2 0 237.391 0.913 20 0 BCADRP CN1CCC[NH+]=C1NCC1([NH+](C)C)CCC1 ZINC000386613457 711033878 /nfs/dbraw/zinc/03/38/78/711033878.db2.gz XCENWUSNROIMCN-UHFFFAOYSA-N 2 0 224.352 0.752 20 0 BCADRP CC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@H](C)O ZINC000386691530 711035312 /nfs/dbraw/zinc/03/53/12/711035312.db2.gz KLKRHQSBVGFXCB-XDQOZGBTSA-N 2 0 224.348 0.732 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000389638141 711084181 /nfs/dbraw/zinc/08/41/81/711084181.db2.gz KCDUZFHDMPSXEV-ZYHUDNBSSA-N 2 0 239.363 0.727 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000390469214 711118866 /nfs/dbraw/zinc/11/88/66/711118866.db2.gz IPXJUHVVBALXLW-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]CCC(=O)N(C)C1CCC([NH3+])CC1 ZINC000390678180 711132238 /nfs/dbraw/zinc/13/22/38/711132238.db2.gz YMHBGHOMXSOBLC-UHFFFAOYSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)NC(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000392821703 711151387 /nfs/dbraw/zinc/15/13/87/711151387.db2.gz RFUNBHPMWJEWGW-UHFFFAOYSA-N 2 0 210.325 0.771 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000392807942 711152542 /nfs/dbraw/zinc/15/25/42/711152542.db2.gz DQGIJSBXLYZLQP-LBPRGKRZSA-N 2 0 239.363 0.738 20 0 BCADRP CSCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000392841466 711152947 /nfs/dbraw/zinc/15/29/47/711152947.db2.gz STPDEBNSUVUTNL-LADJIXMOSA-N 2 0 212.362 0.935 20 0 BCADRP CCCNC(=[NH2+])NC[C@H](C)C[NH+](C)C ZINC000393673430 711169029 /nfs/dbraw/zinc/16/90/29/711169029.db2.gz NEIRXKOTPKQDMN-VIFPVBQESA-N 2 0 200.330 0.708 20 0 BCADRP CC(C)[C@H](CO)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000394072689 711182884 /nfs/dbraw/zinc/18/28/84/711182884.db2.gz QLZDPPFHLLTUNZ-VZKILSJISA-N 2 0 238.375 0.837 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000396707767 711366815 /nfs/dbraw/zinc/36/68/15/711366815.db2.gz NWOCVKZXVDQBRR-GVXVVHGQSA-N 2 0 223.364 0.953 20 0 BCADRP COC[C@H]([NH2+]CCN1CCC([NH3+])CC1)C1CC1 ZINC000398033416 711400087 /nfs/dbraw/zinc/40/00/87/711400087.db2.gz OIBANBJJYLVLDN-ZDUSSCGKSA-N 2 0 241.379 0.424 20 0 BCADRP C[C@H]1CN(CCOC(F)F)CC[C@@H]1[NH3+] ZINC000398176066 711404372 /nfs/dbraw/zinc/40/43/72/711404372.db2.gz KACHRZOUCKFAGB-YUMQZZPRSA-N 2 0 208.252 0.895 20 0 BCADRP Cn1cnc(C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000381309788 710619597 /nfs/dbraw/zinc/61/95/97/710619597.db2.gz NHDRKGXXXWTMNO-UHFFFAOYSA-N 2 0 222.336 0.852 20 0 BCADRP CC[NH2+]CC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000381486441 710644957 /nfs/dbraw/zinc/64/49/57/710644957.db2.gz IYRLYSFXNUOOOL-SNVBAGLBSA-N 2 0 213.325 0.052 20 0 BCADRP CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001045311514 710837215 /nfs/dbraw/zinc/83/72/15/710837215.db2.gz MKSDZRPOLCKLOF-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP COCC(COC)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000384891219 711000136 /nfs/dbraw/zinc/00/01/36/711000136.db2.gz YFGQFOJTPZQPNT-GHMZBOCLSA-N 2 0 230.352 0.707 20 0 BCADRP CN1CCC[NH+]=C1NCCC[NH+]1CCCC1 ZINC000386580469 711032960 /nfs/dbraw/zinc/03/29/60/711032960.db2.gz OPOAKGDKDGECGW-UHFFFAOYSA-N 2 0 224.352 0.753 20 0 BCADRP C[C@@H]([NH2+]Cc1cnn(C)n1)C1CC[NH+](C)CC1 ZINC000389831217 711090274 /nfs/dbraw/zinc/09/02/74/711090274.db2.gz ZUQBBODYFVUCNY-SNVBAGLBSA-N 2 0 237.351 0.635 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NCC[NH+]1CCC(O)CC1 ZINC000396697328 711364610 /nfs/dbraw/zinc/36/46/10/711364610.db2.gz FTOVTZJENCSRRY-WCQYABFASA-N 2 0 241.379 0.173 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001074565006 711443612 /nfs/dbraw/zinc/44/36/12/711443612.db2.gz NPDVGKQWFOKYMX-SRVKXCTJSA-N 2 0 239.363 0.680 20 0 BCADRP CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001020543469 711459044 /nfs/dbraw/zinc/45/90/44/711459044.db2.gz QKEOSCQVSPZTSG-HAQNSBGRSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cnns2)C1 ZINC000723692542 711533759 /nfs/dbraw/zinc/53/37/59/711533759.db2.gz YWVDMZAJYSBKAH-MRVPVSSYSA-N 2 0 212.322 0.709 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723699841 711534818 /nfs/dbraw/zinc/53/48/18/711534818.db2.gz VTRWEZCHTZFPCX-GHMZBOCLSA-N 2 0 216.325 0.055 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000723701787 711535329 /nfs/dbraw/zinc/53/53/29/711535329.db2.gz PUUBNSHHLCCKIA-RKDXNWHRSA-N 2 0 240.269 0.970 20 0 BCADRP Cn1nccc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723710425 711535626 /nfs/dbraw/zinc/53/56/26/711535626.db2.gz UPZZPGBRPKKQTG-JTQLQIEISA-N 2 0 208.309 0.591 20 0 BCADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CC[NH3+] ZINC000723883220 711543403 /nfs/dbraw/zinc/54/34/03/711543403.db2.gz NEOBFJSWPBXOIL-GHMZBOCLSA-N 2 0 223.324 0.195 20 0 BCADRP COC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723894861 711544172 /nfs/dbraw/zinc/54/41/72/711544172.db2.gz PVZIJJBUHFBUKF-GMTAPVOTSA-N 2 0 200.326 0.938 20 0 BCADRP COC(=O)CCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723907189 711544769 /nfs/dbraw/zinc/54/47/69/711544769.db2.gz KIGNKSOXRQJHMM-GHMZBOCLSA-N 2 0 228.336 0.856 20 0 BCADRP COC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901468 711545057 /nfs/dbraw/zinc/54/50/57/711545057.db2.gz PKYSTGFPSMEWFN-OPRDCNLKSA-N 2 0 214.309 0.465 20 0 BCADRP CO[C@H]1CC[C@H]1[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000724156750 711565424 /nfs/dbraw/zinc/56/54/24/711565424.db2.gz RBZSNABLCCXJOM-KXNHARMFSA-N 2 0 212.337 0.951 20 0 BCADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000724564424 711592945 /nfs/dbraw/zinc/59/29/45/711592945.db2.gz TUATZSLFDVGVFZ-MROQNXINSA-N 2 0 240.347 0.461 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000724601519 711596907 /nfs/dbraw/zinc/59/69/07/711596907.db2.gz TYUMNOUVFGMMFA-FVCCEPFGSA-N 2 0 240.347 0.461 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000724601522 711596936 /nfs/dbraw/zinc/59/69/36/711596936.db2.gz TYUMNOUVFGMMFA-VOAKCMCISA-N 2 0 240.347 0.461 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@@H]2CC23CC(O)C3)CC1 ZINC000724959253 711635286 /nfs/dbraw/zinc/63/52/86/711635286.db2.gz QDSCKPHXJHHMRJ-OTTFEQOBSA-N 2 0 224.348 0.831 20 0 BCADRP C[NH+]1CCC(N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000383125983 711682823 /nfs/dbraw/zinc/68/28/23/711682823.db2.gz HSNONLFMZAQVMU-SZZQBSIJSA-N 2 0 235.375 0.667 20 0 BCADRP CC(C)[NH+]1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000390550066 711708576 /nfs/dbraw/zinc/70/85/76/711708576.db2.gz XEXRZBJYLHUUEF-JTQLQIEISA-N 2 0 235.322 0.995 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000257647024 711721545 /nfs/dbraw/zinc/72/15/45/711721545.db2.gz AMCNJTTWCKHVOL-NWDGAFQWSA-N 2 0 239.363 0.668 20 0 BCADRP [NH3+]C[C@@H]1CN(C/C=C\Cl)CCCO1 ZINC000313404566 711724091 /nfs/dbraw/zinc/72/40/91/711724091.db2.gz WRZDTRFDJMCPPK-MAYCQVCUSA-N 2 0 204.701 0.789 20 0 BCADRP C[NH+]1CCC(C[NH2+]CCO[C@H]2CCOC2)CC1 ZINC000724933133 711744328 /nfs/dbraw/zinc/74/43/28/711744328.db2.gz CWPJIBQJLWPBNI-ZDUSSCGKSA-N 2 0 242.363 0.723 20 0 BCADRP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1=O ZINC000722355748 711745252 /nfs/dbraw/zinc/74/52/52/711745252.db2.gz GUAOCEQILQZCIK-UTUOFQBUSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1c[nH+]ccc1N ZINC000925786758 711751018 /nfs/dbraw/zinc/75/10/18/711751018.db2.gz VWJVLUQQHGUCBY-VDDIYKPWSA-N 2 0 220.320 0.753 20 0 BCADRP CC[S@@](=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159980429 711805574 /nfs/dbraw/zinc/80/55/74/711805574.db2.gz VEIAJRCNTSONLX-OZVIIMIRSA-N 2 0 244.404 0.971 20 0 BCADRP CC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226029747 711829960 /nfs/dbraw/zinc/82/99/60/711829960.db2.gz XPFMTWQDJAVALZ-GARJFASQSA-N 2 0 200.326 0.817 20 0 BCADRP CNC(=O)CC[N@H+](C)CCC[NH2+]C1CC1 ZINC000382505615 711873152 /nfs/dbraw/zinc/87/31/52/711873152.db2.gz VXFUNNGYEUUBEE-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP CC[C@H](O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724169 711893481 /nfs/dbraw/zinc/89/34/81/711893481.db2.gz YOGDIUYMJDBKRH-MNOVXSKESA-N 2 0 200.326 0.818 20 0 BCADRP COC[C@@H](C[NH+]1CCC(O)(C[NH3+])CC1)C(C)C ZINC000721921436 711937218 /nfs/dbraw/zinc/93/72/18/711937218.db2.gz SHQWVXLIQWXRMW-GFCCVEGCSA-N 2 0 244.379 0.691 20 0 BCADRP COC[C@H](C[NH+]1CCC(O)(C[NH3+])CC1)C(C)C ZINC000721921438 711937367 /nfs/dbraw/zinc/93/73/67/711937367.db2.gz SHQWVXLIQWXRMW-LBPRGKRZSA-N 2 0 244.379 0.691 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033665932 712010563 /nfs/dbraw/zinc/01/05/63/712010563.db2.gz SEILNYJOWVCUFC-GFCCVEGCSA-N 2 0 239.363 0.635 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(CCO[C@@H]1CC1(F)F)C2 ZINC000702053983 712037653 /nfs/dbraw/zinc/03/76/53/712037653.db2.gz QWFIYSBYISZJFL-HBNTYKKESA-N 2 0 246.301 0.952 20 0 BCADRP COCC[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702125560 712039528 /nfs/dbraw/zinc/03/95/28/712039528.db2.gz MSZPGZWBMJCCKO-SDDRHHMPSA-N 2 0 212.337 0.953 20 0 BCADRP OC1CC(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000702444524 712053957 /nfs/dbraw/zinc/05/39/57/712053957.db2.gz XNPNTZATATVJDX-CTPJDWMWSA-N 2 0 236.359 0.733 20 0 BCADRP c1cnc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000705326234 712128427 /nfs/dbraw/zinc/12/84/27/712128427.db2.gz VDSARBYRZNCXCV-SDDRHHMPSA-N 2 0 232.331 0.954 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C/C=C\Cl ZINC000706666805 712151320 /nfs/dbraw/zinc/15/13/20/712151320.db2.gz ZPRQPWVUUJZJHR-ARJAWSKDSA-N 2 0 206.717 0.907 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCCOC1 ZINC000706708853 712152555 /nfs/dbraw/zinc/15/25/55/712152555.db2.gz YYNCBTGKWAPISA-GFCCVEGCSA-N 2 0 230.352 0.581 20 0 BCADRP COC(=O)CCCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000707510698 712171666 /nfs/dbraw/zinc/17/16/66/712171666.db2.gz CGUBJENQNYJWBT-WCQYABFASA-N 2 0 240.347 0.871 20 0 BCADRP CN1CCC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1=O ZINC000707731072 712176647 /nfs/dbraw/zinc/17/66/47/712176647.db2.gz CBTXFXIHZFKATO-DCAQKATOSA-N 2 0 237.347 0.467 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000709038788 712205878 /nfs/dbraw/zinc/20/58/78/712205878.db2.gz CICSJOIRALYWPP-UTUOFQBUSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CC(=O)N(C)C1)[NH2+]2 ZINC000709290417 712219436 /nfs/dbraw/zinc/21/94/36/712219436.db2.gz VFIWABZEVWFFAS-ROHXPCBUSA-N 2 0 237.347 0.336 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCOC1)[NH2+]2 ZINC000709385168 712220582 /nfs/dbraw/zinc/22/05/82/712220582.db2.gz JANBVFBNQPADCW-IIRVCBMXSA-N 2 0 210.321 0.894 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCOC1)[NH2+]2 ZINC000709385170 712220594 /nfs/dbraw/zinc/22/05/94/712220594.db2.gz JANBVFBNQPADCW-ROHXPCBUSA-N 2 0 210.321 0.894 20 0 BCADRP COC(=O)N(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709464642 712222282 /nfs/dbraw/zinc/22/22/82/712222282.db2.gz IKGCEBIWYLNFDG-ZACCUICWSA-N 2 0 241.335 0.557 20 0 BCADRP C[C@H]([NH2+]CCc1ccns1)C1C[NH2+]C1 ZINC000709954545 712234693 /nfs/dbraw/zinc/23/46/93/712234693.db2.gz UBBAVMRFJICQLX-QMMMGPOBSA-N 2 0 211.334 0.883 20 0 BCADRP [NH3+]C[C@H]1CC[N@H+](CCc2ccns2)C1 ZINC000709965204 712235400 /nfs/dbraw/zinc/23/54/00/712235400.db2.gz ASFBOPUGHJRLED-SECBINFHSA-N 2 0 211.334 0.966 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)C[NH+](C)C ZINC000710684073 712254352 /nfs/dbraw/zinc/25/43/52/712254352.db2.gz RDWJAXSYHCWBIU-UHFFFAOYSA-N 2 0 215.341 0.526 20 0 BCADRP C[N@H+](CCCCCC[NH3+])CCn1cncn1 ZINC000710730910 712255848 /nfs/dbraw/zinc/25/58/48/712255848.db2.gz YPKJYKFWHLWWMY-UHFFFAOYSA-N 2 0 225.340 0.729 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000710867617 712260185 /nfs/dbraw/zinc/26/01/85/712260185.db2.gz GFTQBFJXXRZMRI-LXHRWSGQSA-N 2 0 239.363 0.890 20 0 BCADRP COC[C@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710649137 712264517 /nfs/dbraw/zinc/26/45/17/712264517.db2.gz MYSIRSSJQSMHLR-NSHDSACASA-N 2 0 230.352 0.410 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000711308651 712294185 /nfs/dbraw/zinc/29/41/85/712294185.db2.gz AWDXRIUKKSEMHF-WDEREUQCSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711385831 712296890 /nfs/dbraw/zinc/29/68/90/712296890.db2.gz OVWHGVSYAGUPGI-WDEREUQCSA-N 2 0 241.379 0.688 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711384521 712298132 /nfs/dbraw/zinc/29/81/32/712298132.db2.gz IITDJJHVDADLBF-LLVKDONJSA-N 2 0 241.379 0.690 20 0 BCADRP FC[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000711442144 712300865 /nfs/dbraw/zinc/30/08/65/712300865.db2.gz HWNAIZXSEJSIJR-LBPRGKRZSA-N 2 0 229.343 0.573 20 0 BCADRP [NH3+]CCOCC[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711540655 712309733 /nfs/dbraw/zinc/30/97/33/712309733.db2.gz DYRDAMATFLVPCS-AOOOYVTPSA-N 2 0 216.350 0.257 20 0 BCADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479753 712334241 /nfs/dbraw/zinc/33/42/41/712334241.db2.gz SLNHJRUFUWPJGT-OLZOCXBDSA-N 2 0 244.379 0.691 20 0 BCADRP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479745 712334254 /nfs/dbraw/zinc/33/42/54/712334254.db2.gz CNXPJRDPLBKRCN-GFCCVEGCSA-N 2 0 239.363 0.526 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000923479434 712334601 /nfs/dbraw/zinc/33/46/01/712334601.db2.gz OVQOEJILRCUWCI-WDEREUQCSA-N 2 0 235.335 0.436 20 0 BCADRP CCOCC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000379159181 712370287 /nfs/dbraw/zinc/37/02/87/712370287.db2.gz JEOLHAQMRNYETR-GFCCVEGCSA-N 2 0 244.379 0.848 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCCCC[NH3+] ZINC000390508942 712419680 /nfs/dbraw/zinc/41/96/80/712419680.db2.gz YPPBQOTVAKUVRB-UWVGGRQHSA-N 2 0 213.325 0.454 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC[C@H](O)C[NH+](C)C1CC1 ZINC000712577590 712432610 /nfs/dbraw/zinc/43/26/10/712432610.db2.gz GTYNJGOTMVJWCR-STQMWFEESA-N 2 0 241.379 0.125 20 0 BCADRP C[N@@H+]1CC[C@H]1CNC(=O)CC[NH2+]C(C)(C)C ZINC000712615583 712438629 /nfs/dbraw/zinc/43/86/29/712438629.db2.gz OMEDLOHAMJEJRS-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP C[N@@H+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CCC1(C)C ZINC000712627427 712438782 /nfs/dbraw/zinc/43/87/82/712438782.db2.gz UHUSYQHZKNSNHS-PHIMTYICSA-N 2 0 239.363 0.666 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712632406 712439185 /nfs/dbraw/zinc/43/91/85/712439185.db2.gz LPFGHJHTVOFIIO-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712670591 712440641 /nfs/dbraw/zinc/44/06/41/712440641.db2.gz LFFDWWDLFJMKQK-SNVBAGLBSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712672059 712440668 /nfs/dbraw/zinc/44/06/68/712440668.db2.gz GANSASAYGXPONF-GHMZBOCLSA-N 2 0 241.379 0.912 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000712576969 712448342 /nfs/dbraw/zinc/44/83/42/712448342.db2.gz COHMWTPILNNNBQ-STQMWFEESA-N 2 0 241.379 0.127 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC[NH3+] ZINC000713096913 712452346 /nfs/dbraw/zinc/45/23/46/712452346.db2.gz DIRHJWSMGIXBQO-MRVPVSSYSA-N 2 0 201.314 0.071 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714244261 712480022 /nfs/dbraw/zinc/48/00/22/712480022.db2.gz DMCJNWVYFXCVMO-GMTAPVOTSA-N 2 0 248.392 0.669 20 0 BCADRP CN(C)C(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714436599 712486508 /nfs/dbraw/zinc/48/65/08/712486508.db2.gz HUWUGYOQNOUAFQ-UHFFFAOYSA-N 2 0 241.379 0.772 20 0 BCADRP COC[C@H](O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714443893 712489216 /nfs/dbraw/zinc/48/92/16/712489216.db2.gz CIPUSIAGNGQDEP-GFCCVEGCSA-N 2 0 244.379 0.691 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715143282 712511868 /nfs/dbraw/zinc/51/18/68/712511868.db2.gz CLXYIKWYTQDLEC-IUCAKERBSA-N 2 0 249.305 0.284 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000715578486 712529385 /nfs/dbraw/zinc/52/93/85/712529385.db2.gz JDRYFADFFKUTHJ-BJDJZHNGSA-N 2 0 239.363 0.713 20 0 BCADRP CC1(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)OCCO1 ZINC000716033750 712547368 /nfs/dbraw/zinc/54/73/68/712547368.db2.gz NKVOHBALXNBIIH-MNOVXSKESA-N 2 0 240.347 0.999 20 0 BCADRP CC1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])OCCO1 ZINC000716792781 712573966 /nfs/dbraw/zinc/57/39/66/712573966.db2.gz JDUUUIUCQIFQCX-GHMZBOCLSA-N 2 0 228.336 0.857 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000829769341 712594448 /nfs/dbraw/zinc/59/44/48/712594448.db2.gz SNBPPDUDQSWRAJ-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](CNC1=[NH+]C[C@@H](C)N1)[NH+]1CCCC1 ZINC000379867747 712619255 /nfs/dbraw/zinc/61/92/55/712619255.db2.gz OXOHHOMJMVVCRO-NXEZZACHSA-N 2 0 210.325 0.408 20 0 BCADRP C[NH+](C)CCCNC(=O)CC[NH2+]C(C)(C)C ZINC000037482701 712648528 /nfs/dbraw/zinc/64/85/28/712648528.db2.gz DVSGTHQAHFYDCP-UHFFFAOYSA-N 2 0 229.368 0.833 20 0 BCADRP C[NH+](C)CCNC(=O)CC[NH2+]C(C)(C)C ZINC000037482651 712648582 /nfs/dbraw/zinc/64/85/82/712648582.db2.gz FLPYGWLKMXKAKN-UHFFFAOYSA-N 2 0 215.341 0.442 20 0 BCADRP OCC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCC1 ZINC000717621863 712662736 /nfs/dbraw/zinc/66/27/36/712662736.db2.gz LQJKAJWLVPIJRM-JZRPKSSGSA-N 2 0 236.359 0.735 20 0 BCADRP OC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000717644495 712662874 /nfs/dbraw/zinc/66/28/74/712662874.db2.gz HBFKJCFEGIYPJV-OLZOCXBDSA-N 2 0 242.363 0.194 20 0 BCADRP COCC(COC)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000384949420 712707100 /nfs/dbraw/zinc/70/71/00/712707100.db2.gz LKMTTYAFWCTEJN-SNVBAGLBSA-N 2 0 216.325 0.319 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000384949638 712707150 /nfs/dbraw/zinc/70/71/50/712707150.db2.gz LMIUOGIZSBABAY-ZYHUDNBSSA-N 2 0 228.336 0.332 20 0 BCADRP COCC(COC)[NH+]1CCC(CC[NH3+])CC1 ZINC000384950924 712707288 /nfs/dbraw/zinc/70/72/88/712707288.db2.gz LQYOKSWKTRVTFN-UHFFFAOYSA-N 2 0 230.352 0.709 20 0 BCADRP NC(=O)[C@H]1CCCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC000717977303 712734483 /nfs/dbraw/zinc/73/44/83/712734483.db2.gz XHVSZPVDMMDNKO-HBNTYKKESA-N 2 0 225.336 0.454 20 0 BCADRP NC(=O)CC1CC([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000718408024 712759657 /nfs/dbraw/zinc/75/96/57/712759657.db2.gz WRWFBIZWNVIONX-DJRKXVOMSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@H](CNC(=O)CCC[NH3+])[NH+]1CCCCC1 ZINC000038029495 712800050 /nfs/dbraw/zinc/80/00/50/712800050.db2.gz RIWWWDCZHWWFLV-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[N@H+](CCOCC[NH3+])CCc1ccns1 ZINC000719887170 712826598 /nfs/dbraw/zinc/82/65/98/712826598.db2.gz ROUOSGIXQINZDO-UHFFFAOYSA-N 2 0 229.349 0.593 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720887328 712874183 /nfs/dbraw/zinc/87/41/83/712874183.db2.gz IGLRSSRZABZGIK-SDDRHHMPSA-N 2 0 239.363 0.680 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[NH2+]1 ZINC000720903811 712875112 /nfs/dbraw/zinc/87/51/12/712875112.db2.gz VVXRJURUSZHLFI-SRVKXCTJSA-N 2 0 237.347 0.434 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CCCC[NH3+] ZINC000720901807 712875638 /nfs/dbraw/zinc/87/56/38/712875638.db2.gz UBXZSLODRCYKRK-VXGBXAGGSA-N 2 0 239.363 0.811 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C[NH2+]C1CC1 ZINC000720904081 712875890 /nfs/dbraw/zinc/87/58/90/712875890.db2.gz WOYQZWDYQAPBGX-NEPJUHHUSA-N 2 0 237.347 0.434 20 0 BCADRP O[C@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000720939798 712880754 /nfs/dbraw/zinc/88/07/54/712880754.db2.gz LVNAIESIWXNNTR-UJPOAAIJSA-N 2 0 224.348 0.735 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC(=O)N(C)CC1 ZINC000721050014 712888790 /nfs/dbraw/zinc/88/87/90/712888790.db2.gz ARXMLFVKCKKXMM-MNOVXSKESA-N 2 0 225.336 0.006 20 0 BCADRP O[C@H](C[NH2+][C@H]1CC12CCC2)C[NH+]1CCCC1 ZINC000721173794 712894755 /nfs/dbraw/zinc/89/47/55/712894755.db2.gz FXOVZSYWVVOUJI-NEPJUHHUSA-N 2 0 224.348 0.975 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(c2ncc3c(n2)C[NH2+]C3)C1 ZINC001165040042 721890890 /nfs/dbraw/zinc/89/08/90/721890890.db2.gz SLEWDFBHMPUCBX-LLVKDONJSA-N 2 0 247.346 0.610 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000062076639 349437718 /nfs/dbraw/zinc/43/77/18/349437718.db2.gz SICJGYHVZPDTTQ-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000082993303 349443153 /nfs/dbraw/zinc/44/31/53/349443153.db2.gz QWGNDQYJUCAQCU-YEJSDXFRSA-N 2 0 212.337 0.972 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649318557 398141860 /nfs/dbraw/zinc/14/18/60/398141860.db2.gz VVVKZPUCQAVNOG-NNYUYHANSA-N 2 0 237.347 0.004 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418336908 192025785 /nfs/dbraw/zinc/02/57/85/192025785.db2.gz BAEZMDQQVOKGCJ-WDEREUQCSA-N 2 0 242.367 0.270 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364573399 168324069 /nfs/dbraw/zinc/32/40/69/168324069.db2.gz BKCFAPNFSCSHNI-ZYHUDNBSSA-N 2 0 239.363 0.620 20 0 BCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649322628 398144686 /nfs/dbraw/zinc/14/46/86/398144686.db2.gz AUCQBSUMAHAYQY-XQHKEYJVSA-N 2 0 249.358 0.337 20 0 BCADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(N)=O ZINC000224356012 398147093 /nfs/dbraw/zinc/14/70/93/398147093.db2.gz VNIVRVVQKYSUAU-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)CCC[NH3+])CC1 ZINC000257777264 349483467 /nfs/dbraw/zinc/48/34/67/349483467.db2.gz MRSSZVFEPONSFF-UHFFFAOYSA-N 2 0 227.352 0.668 20 0 BCADRP C[NH2+]CC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000257777424 349483799 /nfs/dbraw/zinc/48/37/99/349483799.db2.gz DYOBJDYBENUYEW-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@]1(C(=O)NCCC[NH+]2CCCC2)CC[NH2+]C1 ZINC000062890216 349495140 /nfs/dbraw/zinc/49/51/40/349495140.db2.gz PCVZHBAPWRDQNF-ZDUSSCGKSA-N 2 0 239.363 0.588 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062889456 349495314 /nfs/dbraw/zinc/49/53/14/349495314.db2.gz SJCAHVFPEPQXLA-WCQYABFASA-N 2 0 239.363 0.587 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062903017 349495952 /nfs/dbraw/zinc/49/59/52/349495952.db2.gz SEGXZCMJLQVGSH-CYBMUJFWSA-N 2 0 241.379 0.786 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062903019 349496196 /nfs/dbraw/zinc/49/61/96/349496196.db2.gz SEGXZCMJLQVGSH-ZDUSSCGKSA-N 2 0 241.379 0.786 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973245 349503441 /nfs/dbraw/zinc/50/34/41/349503441.db2.gz OOMBHGGLDLPKBD-WDEREUQCSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[N@@H+]1C ZINC000649333369 398149899 /nfs/dbraw/zinc/14/98/99/398149899.db2.gz PHKGJGFXJPZLFN-MJDLHHQISA-N 2 0 237.347 0.336 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000649341581 398158100 /nfs/dbraw/zinc/15/81/00/398158100.db2.gz JCRKRQYFNAMQNL-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](C(=O)NCC1(C)CC[NH2+]CC1)[NH+](C)C ZINC000649355662 398167942 /nfs/dbraw/zinc/16/79/42/398167942.db2.gz APHLIGPUTOYTDE-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@@H](C(=O)NC[C@H](C)[NH3+])[NH+](CC)CC ZINC000649359827 398171719 /nfs/dbraw/zinc/17/17/19/398171719.db2.gz FAYPPYYHYICXGL-UWVGGRQHSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@H]([NH3+])CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000649359806 398171746 /nfs/dbraw/zinc/17/17/46/398171746.db2.gz CDGMOCPXBYQQRZ-LPEHRKFASA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H]([NH3+])CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000649359805 398171913 /nfs/dbraw/zinc/17/19/13/398171913.db2.gz CDGMOCPXBYQQRZ-IVZWLZJFSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)C[NH+](C)C)CC1 ZINC000167932466 136215551 /nfs/dbraw/zinc/21/55/51/136215551.db2.gz LSGVEFBGIDKSCC-SECBINFHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)[NH+](C)C ZINC000649362918 398174304 /nfs/dbraw/zinc/17/43/04/398174304.db2.gz HMYHODJGZSEVLX-VHSXEESVSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[NH+](C)C ZINC000649363267 398174366 /nfs/dbraw/zinc/17/43/66/398174366.db2.gz NSXQKHKBHVHXIX-AXFHLTTASA-N 2 0 225.336 0.147 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21)[NH+](C)C ZINC000649366520 398176084 /nfs/dbraw/zinc/17/60/84/398176084.db2.gz RUMFYBQXXKAWCU-GARJFASQSA-N 2 0 225.336 0.147 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[NH2+]CC1(C)C)[NH+](C)C ZINC000649366251 398176245 /nfs/dbraw/zinc/17/62/45/398176245.db2.gz FRLLHLJSTLRGRC-VHSXEESVSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@@H](C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)[NH+](C)C ZINC000649369353 398178780 /nfs/dbraw/zinc/17/87/80/398178780.db2.gz UAMVKOCFLNOKHX-WYUUTHIRSA-N 2 0 241.379 0.768 20 0 BCADRP C[C@@H](C(=O)N[C@H](C[NH3+])C1CCCC1)[NH+](C)C ZINC000649366962 398179586 /nfs/dbraw/zinc/17/95/86/398179586.db2.gz KINXPQJQQSRZMH-GXSJLCMTSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000379992850 398179738 /nfs/dbraw/zinc/17/97/38/398179738.db2.gz YNYRYCCOLBHCBW-JTQLQIEISA-N 2 0 200.326 0.818 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)[NH+](C)C ZINC000649367849 398180489 /nfs/dbraw/zinc/18/04/89/398180489.db2.gz IBIIWYJSUCSDGQ-DCAQKATOSA-N 2 0 227.352 0.380 20 0 BCADRP C[C@@H]1CN(CC[NH2+][C@@H]2CCCC[C@H]2[NH3+])CCO1 ZINC000424293690 398181342 /nfs/dbraw/zinc/18/13/42/398181342.db2.gz PPGSISDRDKAXQA-JHJVBQTASA-N 2 0 241.379 0.567 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CCC(C)(C)[NH3+] ZINC000390211845 398164242 /nfs/dbraw/zinc/16/42/42/398164242.db2.gz VTFKYKHVYNWCHK-SECBINFHSA-N 2 0 215.341 0.603 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000649354395 398167261 /nfs/dbraw/zinc/16/72/61/398167261.db2.gz JTODWNAPFDQQOT-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC[N@H+](C)C1CC1 ZINC000576224804 365529306 /nfs/dbraw/zinc/52/93/06/365529306.db2.gz CPOXWYFGCPXWPC-ZJUUUORDSA-N 2 0 242.367 0.506 20 0 BCADRP Cc1nn(C)cc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000576227237 365529489 /nfs/dbraw/zinc/52/94/89/365529489.db2.gz LYGLQMOMCPATPC-DTWKUNHWSA-N 2 0 210.325 0.944 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H](C[NH3+])C(C)C ZINC000336697767 398200889 /nfs/dbraw/zinc/20/08/89/398200889.db2.gz ZHQVWQJLHRSLII-NXEZZACHSA-N 2 0 215.341 0.317 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000580539688 365559890 /nfs/dbraw/zinc/55/98/90/365559890.db2.gz FJWAPZZEDIWJJL-AAEUAGOBSA-N 2 0 249.358 0.752 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccnc1 ZINC000072826025 343982807 /nfs/dbraw/zinc/98/28/07/343982807.db2.gz NHGNDPDCHWDXGS-LLVKDONJSA-N 2 0 236.319 0.484 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000576281152 365549610 /nfs/dbraw/zinc/54/96/10/365549610.db2.gz VTYPWSVMABGRHO-GARJFASQSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H]([NH3+])CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000649411056 398209819 /nfs/dbraw/zinc/20/98/19/398209819.db2.gz JVIYLYBSVXIIRI-NWDGAFQWSA-N 2 0 227.352 0.130 20 0 BCADRP CCOCC[C@@H](O)C[NH2+]C1CC[NH+](CC)CC1 ZINC000576339231 365569275 /nfs/dbraw/zinc/56/92/75/365569275.db2.gz FLHWYHCCNSAJNA-CYBMUJFWSA-N 2 0 244.379 0.848 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC[NH2+]1 ZINC000647807568 398216183 /nfs/dbraw/zinc/21/61/83/398216183.db2.gz VIFRLRGRWXLGBR-BDAKNGLRSA-N 2 0 247.289 0.052 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC[NH2+]1 ZINC000647807569 398216586 /nfs/dbraw/zinc/21/65/86/398216586.db2.gz VIFRLRGRWXLGBR-DTWKUNHWSA-N 2 0 247.289 0.052 20 0 BCADRP c1ncn(C[C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)n1 ZINC000649412982 398210165 /nfs/dbraw/zinc/21/01/65/398210165.db2.gz GUDPJMPIUSRIKY-OLZOCXBDSA-N 2 0 249.362 0.742 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)NCCCC[NH3+])C1 ZINC000417217125 398211243 /nfs/dbraw/zinc/21/12/43/398211243.db2.gz QLEYKSALFQTZSH-LLVKDONJSA-N 2 0 242.367 0.509 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000649414234 398213027 /nfs/dbraw/zinc/21/30/27/398213027.db2.gz NQJYTJYZDGWIKB-QWHCGFSZSA-N 2 0 225.380 0.870 20 0 BCADRP C[C@H](C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2)[NH+](C)C ZINC000639001135 398220410 /nfs/dbraw/zinc/22/04/10/398220410.db2.gz HAEUWNPIGHESKT-FOGDFJRCSA-N 2 0 225.336 0.195 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC000576397750 365585061 /nfs/dbraw/zinc/58/50/61/365585061.db2.gz KPIWUYZDUHVADU-LBPRGKRZSA-N 2 0 227.352 0.701 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCCC[NH3+])C[C@@H]1C ZINC000418367181 192028732 /nfs/dbraw/zinc/02/87/32/192028732.db2.gz ZDIQPMBKLLXWOG-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418396167 192033144 /nfs/dbraw/zinc/03/31/44/192033144.db2.gz ZIBAHBSRSZTFGM-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418396441 192033147 /nfs/dbraw/zinc/03/31/47/192033147.db2.gz BBDGOKQBRUSCEQ-OUAUKWLOSA-N 2 0 242.367 0.493 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)NCC1([NH3+])CCC1 ZINC000418397898 192033171 /nfs/dbraw/zinc/03/31/71/192033171.db2.gz VVUWBDJFCMFSCV-SECBINFHSA-N 2 0 228.340 0.023 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418383880 192030840 /nfs/dbraw/zinc/03/08/40/192030840.db2.gz OGZXONGRCXUSIQ-MNOVXSKESA-N 2 0 242.367 0.555 20 0 BCADRP C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000418383487 192030923 /nfs/dbraw/zinc/03/09/23/192030923.db2.gz NLVMWNVUOKANPH-MXWKQRLJSA-N 2 0 240.351 0.117 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418384044 192030969 /nfs/dbraw/zinc/03/09/69/192030969.db2.gz NWIOASMWINULJN-QWRGUYRKSA-N 2 0 242.367 0.363 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]1)NC[C@@H]1CCC[NH2+]1 ZINC000418383226 192031052 /nfs/dbraw/zinc/03/10/52/192031052.db2.gz ZJQSZKNSBHTBAM-MNOVXSKESA-N 2 0 240.351 0.180 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418385194 192031338 /nfs/dbraw/zinc/03/13/38/192031338.db2.gz PXZTWFFTJJVJCT-GMTAPVOTSA-N 2 0 240.351 0.036 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000418388173 192031834 /nfs/dbraw/zinc/03/18/34/192031834.db2.gz NAWMQXNFLFTMJR-SNVBAGLBSA-N 2 0 242.367 0.235 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418395117 192032295 /nfs/dbraw/zinc/03/22/95/192032295.db2.gz GZNMNMGQDOLGGJ-DVVUODLYSA-N 2 0 240.351 0.021 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](C)CC[NH3+] ZINC000418398533 192032724 /nfs/dbraw/zinc/03/27/24/192032724.db2.gz FMSVFSBNENTOIP-IUCAKERBSA-N 2 0 216.329 0.006 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334184152 136223867 /nfs/dbraw/zinc/22/38/67/136223867.db2.gz FWXIDJDSZWLUBZ-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418407830 192033809 /nfs/dbraw/zinc/03/38/09/192033809.db2.gz MCTLHTWGNLVLKW-NAKRPEOUSA-N 2 0 242.367 0.539 20 0 BCADRP [NH3+]C[C@@H](NC(=O)NCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000418408946 192034374 /nfs/dbraw/zinc/03/43/74/192034374.db2.gz UYZUYHQANSMBMD-GHMZBOCLSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418417396 192034823 /nfs/dbraw/zinc/03/48/23/192034823.db2.gz VEFFMIXJZQRSBR-KXUCPTDWSA-N 2 0 228.340 0.150 20 0 BCADRP CC(C)([NH3+])CNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418414789 192034933 /nfs/dbraw/zinc/03/49/33/192034933.db2.gz MBGYZJWNNNEHGK-SECBINFHSA-N 2 0 228.340 0.165 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NCC(C)(C)[NH3+] ZINC000418412045 192034621 /nfs/dbraw/zinc/03/46/21/192034621.db2.gz GVRLTSGOOFHSRD-SECBINFHSA-N 2 0 230.356 0.540 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000418403252 192033333 /nfs/dbraw/zinc/03/33/33/192033333.db2.gz JEFZGRQRMGENSX-QWRGUYRKSA-N 2 0 242.367 0.493 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000418440349 192035810 /nfs/dbraw/zinc/03/58/10/192035810.db2.gz PIYDRMDJYJONSQ-SNVBAGLBSA-N 2 0 242.367 0.637 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H](C)CC[NH3+] ZINC000418436441 192035867 /nfs/dbraw/zinc/03/58/67/192035867.db2.gz GUMYUWHJJJZVSI-ZJUUUORDSA-N 2 0 230.356 0.396 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418417572 192035338 /nfs/dbraw/zinc/03/53/38/192035338.db2.gz WYIACBYTNYZHFE-GMTAPVOTSA-N 2 0 242.367 0.539 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000111612228 398236377 /nfs/dbraw/zinc/23/63/77/398236377.db2.gz MECIPDXGQBOQNT-NXEZZACHSA-N 2 0 239.363 0.713 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418438464 192036058 /nfs/dbraw/zinc/03/60/58/192036058.db2.gz DWSRGQSYYUJBEL-GHMZBOCLSA-N 2 0 242.367 0.540 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NC(C)(C)C[NH3+] ZINC000418435960 192035692 /nfs/dbraw/zinc/03/56/92/192035692.db2.gz BFRNGEAJVYAFSY-SECBINFHSA-N 2 0 230.356 0.540 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000418443916 192036681 /nfs/dbraw/zinc/03/66/81/192036681.db2.gz LNGOVIFJCWOWFJ-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@H](C)C[NH3+] ZINC000418446588 192036234 /nfs/dbraw/zinc/03/62/34/192036234.db2.gz OCYZKKSAPNGIHM-NXEZZACHSA-N 2 0 230.356 0.398 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418445796 192036347 /nfs/dbraw/zinc/03/63/47/192036347.db2.gz YHAHLIMVOWVELQ-SNVBAGLBSA-N 2 0 242.367 0.540 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N(C)C1CC([NH3+])C1 ZINC000418442981 192036401 /nfs/dbraw/zinc/03/64/01/192036401.db2.gz KQGIEEXOSIIMEJ-HSOILSAZSA-N 2 0 242.367 0.635 20 0 BCADRP C[N@H+](CC(=O)NCC[NH2+]C(C)(C)C)C1CCC1 ZINC000629963417 361810572 /nfs/dbraw/zinc/81/05/72/361810572.db2.gz NLHJYYKCTJLADT-UHFFFAOYSA-N 2 0 241.379 0.975 20 0 BCADRP CCC(CC)C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000308932924 168361131 /nfs/dbraw/zinc/36/11/31/168361131.db2.gz MWRHCDZMOGWOPD-MNOVXSKESA-N 2 0 200.326 0.593 20 0 BCADRP C[N@H+](CC(=O)NCCc1ncc[nH]1)C1CCC1 ZINC000629959662 361803059 /nfs/dbraw/zinc/80/30/59/361803059.db2.gz HWTUFKDCYHOZBG-UHFFFAOYSA-N 2 0 236.319 0.553 20 0 BCADRP [NH3+][C@H]1CCCCC[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000576507437 365612255 /nfs/dbraw/zinc/61/22/55/365612255.db2.gz VGHZRIXEJLUAPS-WOPDTQHZSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC000576516879 365612269 /nfs/dbraw/zinc/61/22/69/365612269.db2.gz DRLYABIZLJYWHH-WHOHXGKFSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000576515290 365614692 /nfs/dbraw/zinc/61/46/92/365614692.db2.gz IAXROXQFZMRJJE-USZNOCQGSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000576576625 365627600 /nfs/dbraw/zinc/62/76/00/365627600.db2.gz GVVDUABVUDPENU-GVXVVHGQSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC000576581349 365630340 /nfs/dbraw/zinc/63/03/40/365630340.db2.gz FFLKASRVZNITGV-BJDJZHNGSA-N 2 0 239.363 0.583 20 0 BCADRP Cc1c[nH+]ccc1N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000580903391 398250510 /nfs/dbraw/zinc/25/05/10/398250510.db2.gz SRGJKTJSCFBJQU-GHMZBOCLSA-N 2 0 246.314 0.138 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)CCC(C)(C)[NH3+] ZINC000381312764 398253069 /nfs/dbraw/zinc/25/30/69/398253069.db2.gz MCHWPBALKLQJRG-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CC(C)(C)[NH3+])CC[NH2+]1 ZINC000381442934 398257621 /nfs/dbraw/zinc/25/76/21/398257621.db2.gz ZZFURBTYAFDBRU-RKDXNWHRSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](C)CCC[NH3+] ZINC000576701631 365663053 /nfs/dbraw/zinc/66/30/53/365663053.db2.gz LDNWKMHRUQEXEM-DTWKUNHWSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000381452640 398258243 /nfs/dbraw/zinc/25/82/43/398258243.db2.gz HZSQWSXSUQKXQX-IVZWLZJFSA-N 2 0 213.325 0.500 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000381452637 398258357 /nfs/dbraw/zinc/25/83/57/398258357.db2.gz HZSQWSXSUQKXQX-AEJSXWLSSA-N 2 0 213.325 0.500 20 0 BCADRP CCOCC[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040600581 398264531 /nfs/dbraw/zinc/26/45/31/398264531.db2.gz OTXFOIHTNHADKG-LLVKDONJSA-N 2 0 200.326 0.954 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000381566319 398264573 /nfs/dbraw/zinc/26/45/73/398264573.db2.gz SQIZFXIZKCUPOT-IUCAKERBSA-N 2 0 213.325 0.084 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000417781419 398267550 /nfs/dbraw/zinc/26/75/50/398267550.db2.gz JSNBVSLUSBBJIE-UWVGGRQHSA-N 2 0 213.325 0.100 20 0 BCADRP Cc1cc(NC[C@H]2CN3CCN2CC3)nc(C)n1 ZINC000179075773 538954445 /nfs/dbraw/zinc/95/44/45/538954445.db2.gz CZVHJKLUEWIDCJ-LBPRGKRZSA-N 2 0 247.346 0.505 20 0 BCADRP [NH3+]C[C@H]1CN(Cc2cccnc2)CCCO1 ZINC000313343997 344000553 /nfs/dbraw/zinc/00/05/53/344000553.db2.gz DNRCMHBICZUHLV-LBPRGKRZSA-N 2 0 221.304 0.631 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000335381300 136234755 /nfs/dbraw/zinc/23/47/55/136234755.db2.gz QLDYMXJQTNDNQO-CYBMUJFWSA-N 2 0 247.342 0.863 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000602550992 349592804 /nfs/dbraw/zinc/59/28/04/349592804.db2.gz ATEROQYYDIYAPM-AEJSXWLSSA-N 2 0 245.392 0.324 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCCC[NH3+] ZINC000387483679 342675340 /nfs/dbraw/zinc/67/53/40/342675340.db2.gz WTIVZDMSQCUXQQ-SNVBAGLBSA-N 2 0 229.368 0.866 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000418496530 192042471 /nfs/dbraw/zinc/04/24/71/192042471.db2.gz VKFSXLJWSATHSC-GHMZBOCLSA-N 2 0 242.367 0.317 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H](C)C[NH3+] ZINC000418490858 192041526 /nfs/dbraw/zinc/04/15/26/192041526.db2.gz NLJBQFNJFWZFKA-WDEREUQCSA-N 2 0 244.383 0.596 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418491931 192041776 /nfs/dbraw/zinc/04/17/76/192041776.db2.gz TUZIFBHSGRDVEE-MNOVXSKESA-N 2 0 242.367 0.283 20 0 BCADRP CCCN(C(=O)NC[C@@H](C)C[NH3+])[C@H]1CC[NH2+]C1 ZINC000418496572 192042176 /nfs/dbraw/zinc/04/21/76/192042176.db2.gz VPZJXFPVRUUZTA-QWRGUYRKSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H]([NH2+]CCCO)C1CC[NH+](C)CC1 ZINC000037221469 538961996 /nfs/dbraw/zinc/96/19/96/538961996.db2.gz YZGOJYQRWKHWRL-JTQLQIEISA-N 2 0 200.326 0.689 20 0 BCADRP O=C1CCCN1CCN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000335131333 398281007 /nfs/dbraw/zinc/28/10/07/398281007.db2.gz UCZRAVLEEYQYDR-NWDGAFQWSA-N 2 0 237.347 0.150 20 0 BCADRP [NH3+]CCNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000335606316 136236472 /nfs/dbraw/zinc/23/64/72/136236472.db2.gz MZZDDEKBKFYKSZ-LLVKDONJSA-N 2 0 240.351 0.215 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000035222942 342734744 /nfs/dbraw/zinc/73/47/44/342734744.db2.gz CYYISHHAQAKICG-YPMHNXCESA-N 2 0 247.342 0.724 20 0 BCADRP C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC1 ZINC000630002577 361889507 /nfs/dbraw/zinc/88/95/07/361889507.db2.gz WTRVIDBDJYJNFI-NSHDSACASA-N 2 0 241.379 0.831 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@H](C)CC[NH3+] ZINC000418451716 192042767 /nfs/dbraw/zinc/04/27/67/192042767.db2.gz WIQAZGOHXVGZDC-NXEZZACHSA-N 2 0 230.356 0.540 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N(C)CC[NH3+] ZINC000418451127 192042859 /nfs/dbraw/zinc/04/28/59/192042859.db2.gz VMBKNRZGEVVHIC-SECBINFHSA-N 2 0 216.329 0.104 20 0 BCADRP C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCC1 ZINC000630000338 361885047 /nfs/dbraw/zinc/88/50/47/361885047.db2.gz ZVMOAINXJVJJEB-UHFFFAOYSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N(C)CC[NH+]1CCCC1 ZINC000418500838 192043971 /nfs/dbraw/zinc/04/39/71/192043971.db2.gz ZOYIEUGJVFXYPD-LLVKDONJSA-N 2 0 242.367 0.318 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)N[C@@H](C)CC[NH3+] ZINC000418548482 192043994 /nfs/dbraw/zinc/04/39/94/192043994.db2.gz KQXVLMZRKOEWKO-NSHDSACASA-N 2 0 244.383 0.707 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000418502744 192044366 /nfs/dbraw/zinc/04/43/66/192044366.db2.gz VUUFSOCMILMYTH-AXFHLTTASA-N 2 0 240.351 0.308 20 0 BCADRP C[C@@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH+](C)C ZINC000630019139 361901369 /nfs/dbraw/zinc/90/13/69/361901369.db2.gz SZENQRNAHXDOTH-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCC2([NH3+])CCC2)C1 ZINC000418505830 192044929 /nfs/dbraw/zinc/04/49/29/192044929.db2.gz FFBRZHNSIJZACS-NXEZZACHSA-N 2 0 240.351 0.437 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](C)CC1 ZINC000055368227 398286263 /nfs/dbraw/zinc/28/62/63/398286263.db2.gz BAWKLBUFDSCMDH-LLVKDONJSA-N 2 0 227.352 0.522 20 0 BCADRP c1nc(N2CC[NH2+]CC2)ncc1C1=CC[NH2+]CC1 ZINC000630050999 361914825 /nfs/dbraw/zinc/91/48/25/361914825.db2.gz HHZUMEYRWPLJER-UHFFFAOYSA-N 2 0 245.330 0.263 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)N2CCC([NH3+])CC2)C1 ZINC000335464144 398288729 /nfs/dbraw/zinc/28/87/29/398288729.db2.gz IUHOFHBLGIJFMH-ONGXEEELSA-N 2 0 225.336 0.324 20 0 BCADRP COC(=O)C(C)(C)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000619424643 398288737 /nfs/dbraw/zinc/28/87/37/398288737.db2.gz JVBWECRXKAAHSQ-QWRGUYRKSA-N 2 0 240.347 0.727 20 0 BCADRP O=C([C@H]1CCC[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000335464328 398288913 /nfs/dbraw/zinc/28/89/13/398288913.db2.gz POCMGONIRKZXPT-LLVKDONJSA-N 2 0 223.320 0.045 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335681816 398292884 /nfs/dbraw/zinc/29/28/84/398292884.db2.gz ZNLUDLQURXUBOH-YPMHNXCESA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]CCCCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418517072 192046275 /nfs/dbraw/zinc/04/62/75/192046275.db2.gz YQZJAOZXSHKEPP-LLVKDONJSA-N 2 0 242.367 0.542 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000418514447 192046057 /nfs/dbraw/zinc/04/60/57/192046057.db2.gz OLXIJNNDMOJZSX-LLVKDONJSA-N 2 0 242.367 0.317 20 0 BCADRP C[NH+]1CCN(CCC[NH2+]C2CSC2)CC1 ZINC000380019391 538983815 /nfs/dbraw/zinc/98/38/15/538983815.db2.gz VORUYXTUMDWJMH-UHFFFAOYSA-N 2 0 229.393 0.329 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000417817806 398294092 /nfs/dbraw/zinc/29/40/92/398294092.db2.gz ROOQWEVSLULDRQ-GHMZBOCLSA-N 2 0 244.383 0.753 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335628244 136241160 /nfs/dbraw/zinc/24/11/60/136241160.db2.gz ZEJFGJNAILEDNU-RKDXNWHRSA-N 2 0 213.325 0.180 20 0 BCADRP CCCN(C(=O)N[C@@H](C)CC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000418518715 192047288 /nfs/dbraw/zinc/04/72/88/192047288.db2.gz FUTWLKKXGAYSBO-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000335645122 136243327 /nfs/dbraw/zinc/24/33/27/136243327.db2.gz ZTCAGBMYTREIKF-BJHJDKERSA-N 2 0 245.326 0.643 20 0 BCADRP Cc1nc[nH]c1CNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000380229871 346867691 /nfs/dbraw/zinc/86/76/91/346867691.db2.gz QGJCATWRXKVUDO-VXNVDRBHSA-N 2 0 222.292 0.332 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)NCC1([NH3+])CCC1 ZINC000418528359 192048604 /nfs/dbraw/zinc/04/86/04/192048604.db2.gz RLNNOUSDVSPIPP-UHFFFAOYSA-N 2 0 242.367 0.507 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H](C)CC[NH3+] ZINC000418534943 192048901 /nfs/dbraw/zinc/04/89/01/192048901.db2.gz YKKQHIYSJCDXLL-QWRGUYRKSA-N 2 0 244.383 0.739 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000418536019 192049049 /nfs/dbraw/zinc/04/90/49/192049049.db2.gz BKVVZEJLQDTXQC-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000167204213 136244645 /nfs/dbraw/zinc/24/46/45/136244645.db2.gz CESMQEFMZZGIDN-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418543617 192049492 /nfs/dbraw/zinc/04/94/92/192049492.db2.gz PDAJJCSPVCPTKX-PWSUYJOCSA-N 2 0 242.367 0.413 20 0 BCADRP C[C@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000167332724 136245782 /nfs/dbraw/zinc/24/57/82/136245782.db2.gz TUTPJNIVOOPGBE-UTUOFQBUSA-N 2 0 213.369 0.866 20 0 BCADRP CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418558911 192050365 /nfs/dbraw/zinc/05/03/65/192050365.db2.gz CDCMYDDMGKLORP-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CC[NH+](C)C ZINC000418556394 192050470 /nfs/dbraw/zinc/05/04/70/192050470.db2.gz OVWVWBFONPMCHE-GHMZBOCLSA-N 2 0 242.367 0.187 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000418562374 192050790 /nfs/dbraw/zinc/05/07/90/192050790.db2.gz GCTRARXDSMOJPM-GUBZILKMSA-N 2 0 228.340 0.102 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000418560998 192051073 /nfs/dbraw/zinc/05/10/73/192051073.db2.gz DTYLWJLMENGWFH-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)N[C@@H](C)C[NH3+] ZINC000418607135 192051318 /nfs/dbraw/zinc/05/13/18/192051318.db2.gz BHKHHFZEJUBKAT-JTQLQIEISA-N 2 0 230.356 0.317 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000234362026 342921684 /nfs/dbraw/zinc/92/16/84/342921684.db2.gz FETRIQSPQGDCMA-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOCCO)[C@H](C)C1 ZINC000162314186 349639029 /nfs/dbraw/zinc/63/90/29/349639029.db2.gz OADRJXMSXKMKEU-CHWSQXEVSA-N 2 0 244.379 0.705 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000036999081 342915126 /nfs/dbraw/zinc/91/51/26/342915126.db2.gz PIRKIVSQAIRCTO-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP C[NH+](C)CCOCC[NH2+]C[C@@H](O)C(F)(F)F ZINC000234248726 342919107 /nfs/dbraw/zinc/91/91/07/342919107.db2.gz OREMALMYRSSHHZ-MRVPVSSYSA-N 2 0 244.257 0.077 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418586182 192053512 /nfs/dbraw/zinc/05/35/12/192053512.db2.gz PZASHGJNKYAMTK-GMTAPVOTSA-N 2 0 242.367 0.554 20 0 BCADRP CC(C)(C[NH3+])NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418585401 192053612 /nfs/dbraw/zinc/05/36/12/192053612.db2.gz PMNXSHDOJTZTFY-RKDXNWHRSA-N 2 0 228.340 0.293 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418584197 192053614 /nfs/dbraw/zinc/05/36/14/192053614.db2.gz BYCKPGXSMIRVCL-QXEWZRGKSA-N 2 0 242.367 0.539 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000580304117 346879351 /nfs/dbraw/zinc/87/93/51/346879351.db2.gz XLTPJKKLDNBBKG-ZJUUUORDSA-N 2 0 235.331 0.917 20 0 BCADRP CC(C)(C[NH3+])NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418585398 192053669 /nfs/dbraw/zinc/05/36/69/192053669.db2.gz PMNXSHDOJTZTFY-BDAKNGLRSA-N 2 0 228.340 0.293 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NC[C@H]([NH3+])CC ZINC000418600988 192054871 /nfs/dbraw/zinc/05/48/71/192054871.db2.gz KNRMWEJHWYMWGU-RKDXNWHRSA-N 2 0 216.329 0.021 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000566859327 323020332 /nfs/dbraw/zinc/02/03/32/323020332.db2.gz TXUHRYSXDXRSNN-GJMOJQLCSA-N 2 0 201.314 0.212 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@H]1CC[NH2+]1)c1ccccc1 ZINC000580309916 346890102 /nfs/dbraw/zinc/89/01/02/346890102.db2.gz RPLDTRBRVHTEAE-WDEREUQCSA-N 2 0 219.288 0.165 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000574808599 398338646 /nfs/dbraw/zinc/33/86/46/398338646.db2.gz IZVRFQRRUIODTJ-UTUOFQBUSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000037816831 398334587 /nfs/dbraw/zinc/33/45/87/398334587.db2.gz URSHLGNPPSDYOV-JTQLQIEISA-N 2 0 225.336 0.278 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000519760439 488188378 /nfs/dbraw/zinc/18/83/78/488188378.db2.gz RBXGGMPXGLAIOS-UPJWGTAASA-N 2 0 244.379 0.440 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449749736 398340140 /nfs/dbraw/zinc/34/01/40/398340140.db2.gz GWCDWZYAJLRUTH-UWVGGRQHSA-N 2 0 227.352 0.474 20 0 BCADRP CNC(=O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157352065 398340165 /nfs/dbraw/zinc/34/01/65/398340165.db2.gz NWCFHBMYIDLSKT-LLVKDONJSA-N 2 0 225.336 0.150 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCSC2)CC1 ZINC000335596512 398341773 /nfs/dbraw/zinc/34/17/73/398341773.db2.gz UUKYZDGMEKAALR-NSHDSACASA-N 2 0 244.404 0.928 20 0 BCADRP [NH3+]C1(CC(=O)NC2CC[NH2+]CC2)CCC1 ZINC000381350179 398342107 /nfs/dbraw/zinc/34/21/07/398342107.db2.gz BKGLKOCQLKNMBY-UHFFFAOYSA-N 2 0 211.309 0.126 20 0 BCADRP C[N@H+](CCCNC(=O)C[NH3+])Cc1ccccc1 ZINC000019438128 342948703 /nfs/dbraw/zinc/94/87/03/342948703.db2.gz DWLMXPIXUPIUGV-UHFFFAOYSA-N 2 0 235.331 0.583 20 0 BCADRP COCCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C)C1 ZINC000328209147 346901313 /nfs/dbraw/zinc/90/13/13/346901313.db2.gz UWOJPIRGKSZGJU-STQMWFEESA-N 2 0 241.379 0.391 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000351859158 136258589 /nfs/dbraw/zinc/25/85/89/136258589.db2.gz BOJRKXCDTFLFPJ-NHCYSSNCSA-N 2 0 237.347 0.419 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C(C)(C)C[NH3+] ZINC000309516096 168416177 /nfs/dbraw/zinc/41/61/77/168416177.db2.gz YUCKNEYBKHTRNX-UHFFFAOYSA-N 2 0 215.341 0.605 20 0 BCADRP CC[C@@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000037914231 343002128 /nfs/dbraw/zinc/00/21/28/343002128.db2.gz PYVNCVDONZFRNC-GFCCVEGCSA-N 2 0 211.353 0.766 20 0 BCADRP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H](C)C[NH3+] ZINC000418623751 192057986 /nfs/dbraw/zinc/05/79/86/192057986.db2.gz XFKCAENUCTUOAO-JTQLQIEISA-N 2 0 230.356 0.315 20 0 BCADRP C[NH+](C)CCN(C(=O)[C@@H]1C[C@@H]1[NH3+])C1CCCC1 ZINC000050463403 343022351 /nfs/dbraw/zinc/02/23/51/343022351.db2.gz IYGZYXFRHOQYHA-NEPJUHHUSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+]CCCN1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000309495049 259343285 /nfs/dbraw/zinc/34/32/85/259343285.db2.gz TUVAQYCYRLLPFI-GHMZBOCLSA-N 2 0 215.341 0.034 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000309500760 259343375 /nfs/dbraw/zinc/34/33/75/259343375.db2.gz UWRFHCFFCLPNGE-ONGXEEELSA-N 2 0 213.325 0.230 20 0 BCADRP CN(CC[NH3+])C(=O)c1ccc(C[NH3+])cc1 ZINC000576822858 365695179 /nfs/dbraw/zinc/69/51/79/365695179.db2.gz OXSZOJQJYXTPMK-UHFFFAOYSA-N 2 0 207.277 0.176 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000038089362 343059079 /nfs/dbraw/zinc/05/90/79/343059079.db2.gz UOFYPLZWXIIIHA-ONGXEEELSA-N 2 0 215.341 0.570 20 0 BCADRP CC[C@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000576861277 365705300 /nfs/dbraw/zinc/70/53/00/365705300.db2.gz RFFLBBIVOOOXFZ-HSOILSAZSA-N 2 0 200.326 0.864 20 0 BCADRP CC[C@](C)([NH3+])c1cn(CC[NH+]2CCCC2)nn1 ZINC000384202133 343064134 /nfs/dbraw/zinc/06/41/34/343064134.db2.gz LXVFALAYYHKRFU-LBPRGKRZSA-N 2 0 237.351 0.958 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000118975355 343064733 /nfs/dbraw/zinc/06/47/33/343064733.db2.gz FAETYJKDCBNOMF-CMPLNLGQSA-N 2 0 225.336 0.339 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](C)[NH3+] ZINC000236835216 259346449 /nfs/dbraw/zinc/34/64/49/259346449.db2.gz RQNLZDLCRNWXMJ-RKDXNWHRSA-N 2 0 201.314 0.165 20 0 BCADRP C[C@H](CCCO)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000384344586 343092089 /nfs/dbraw/zinc/09/20/89/343092089.db2.gz CTRBQLRSXOCZGI-OLZOCXBDSA-N 2 0 244.379 0.441 20 0 BCADRP CC(C)[C@@H]([NH3+])c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000584882022 343083360 /nfs/dbraw/zinc/08/33/60/343083360.db2.gz XTYNVBBSKZURHJ-PSASIEDQSA-N 2 0 209.297 0.468 20 0 BCADRP [NH3+][C@@H]1CC=C(c2nc([C@H]3CCC[NH2+]3)no2)C1 ZINC000634557539 362048725 /nfs/dbraw/zinc/04/87/25/362048725.db2.gz ZIWRFROVIFGWFS-RKDXNWHRSA-N 2 0 220.276 0.999 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000236649222 343105731 /nfs/dbraw/zinc/10/57/31/343105731.db2.gz TXFKHYQAZRRMQC-QWRGUYRKSA-N 2 0 227.352 0.557 20 0 BCADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000082645680 362074502 /nfs/dbraw/zinc/07/45/02/362074502.db2.gz RSGXAXUCNGKPPY-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC([NH2+]C)CC1 ZINC000236996579 343116803 /nfs/dbraw/zinc/11/68/03/343116803.db2.gz WGBLTYXHJDEVSR-ONGXEEELSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000236992709 343117015 /nfs/dbraw/zinc/11/70/15/343117015.db2.gz ZCWXIKNHFYGPIF-LBPRGKRZSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]1C[N@H+](C)CCN1C[C@H]1CCC[NH2+]C1 ZINC000251712811 343125273 /nfs/dbraw/zinc/12/52/73/343125273.db2.gz JNEJUWQHHRHPLY-RYUDHWBXSA-N 2 0 211.353 0.622 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000237126855 343126835 /nfs/dbraw/zinc/12/68/35/343126835.db2.gz PLWZJXPLWVNJAZ-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000237212860 343130971 /nfs/dbraw/zinc/13/09/71/343130971.db2.gz MGLYDUHMNSNTNF-MNOVXSKESA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000237246156 343131612 /nfs/dbraw/zinc/13/16/12/343131612.db2.gz RSBQWDKSULRVKD-LDYMZIIASA-N 2 0 213.325 0.086 20 0 BCADRP C[NH2+]CCCC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000237218239 343131717 /nfs/dbraw/zinc/13/17/17/343131717.db2.gz UCPQPMNJTHUDSX-LLVKDONJSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]CC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000237283699 343132857 /nfs/dbraw/zinc/13/28/57/343132857.db2.gz OKVDNSCXEKBSOV-UHFFFAOYSA-N 2 0 207.277 0.564 20 0 BCADRP C[C@@H](CC(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000237338052 343134865 /nfs/dbraw/zinc/13/48/65/343134865.db2.gz KLFTYWYAYAKFCW-QJPTWQEYSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000237353269 343135352 /nfs/dbraw/zinc/13/53/52/343135352.db2.gz LNYHFCCJZCFORA-GXFFZTMASA-N 2 0 247.342 0.584 20 0 BCADRP C[NH2+]CCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000237387604 343135624 /nfs/dbraw/zinc/13/56/24/343135624.db2.gz QABWGWPMVVPOIT-LBPRGKRZSA-N 2 0 235.331 0.802 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000237405101 343138003 /nfs/dbraw/zinc/13/80/03/343138003.db2.gz QKVXIASCOQQOPB-GMTAPVOTSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CCC[NH3+] ZINC000237415899 343138202 /nfs/dbraw/zinc/13/82/02/343138202.db2.gz XBTSNNXLJDKEPT-UWVGGRQHSA-N 2 0 213.325 0.454 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000092956414 343150195 /nfs/dbraw/zinc/15/01/95/343150195.db2.gz VRFYFVQLLPHYKO-QJPTWQEYSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@H](O)C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000576936178 365725204 /nfs/dbraw/zinc/72/52/04/365725204.db2.gz DBOBDKKDWXQMTN-STQMWFEESA-N 2 0 244.379 0.848 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC(C)(C)C[NH+](C)C ZINC000418693317 192061130 /nfs/dbraw/zinc/06/11/30/192061130.db2.gz GSRJNDZWVTVIGF-RKDXNWHRSA-N 2 0 230.356 0.362 20 0 BCADRP C[C@H](C(=O)NCCC[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000131714581 343184484 /nfs/dbraw/zinc/18/44/84/343184484.db2.gz NRGAZYGDKLXEOP-CMPLNLGQSA-N 2 0 235.331 0.788 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(C)CC[NH+]1CCCC1 ZINC000418690603 192061256 /nfs/dbraw/zinc/06/12/56/192061256.db2.gz CXPIMZZWKVLGPS-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000418694030 192061344 /nfs/dbraw/zinc/06/13/44/192061344.db2.gz HLSUUKZIHPZAMC-GARJFASQSA-N 2 0 242.367 0.458 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccc(C[NH3+])o2)[C@@H](C)C[NH2+]1 ZINC000237479583 136272312 /nfs/dbraw/zinc/27/23/12/136272312.db2.gz OAPLUALBYPAVHL-BDAKNGLRSA-N 2 0 237.303 0.561 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000576967039 365737030 /nfs/dbraw/zinc/73/70/30/365737030.db2.gz GXIWYLXDHPCNAD-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@@H](NC(=O)N(C)CC[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000418690606 192060921 /nfs/dbraw/zinc/06/09/21/192060921.db2.gz CXPIMZZWKVLGPS-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000129081128 343176034 /nfs/dbraw/zinc/17/60/34/343176034.db2.gz XPYQBTPMGIMFMN-TUAOUCFPSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+]C1(C(=O)NCC[NH+]2CCCCCC2)CCC1 ZINC000148077507 343195986 /nfs/dbraw/zinc/19/59/86/343195986.db2.gz PGJHAFAZYVYDQG-UHFFFAOYSA-N 2 0 239.363 0.860 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000237995874 343222065 /nfs/dbraw/zinc/22/20/65/343222065.db2.gz QTAACFJSWTWMIS-SDDRHHMPSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C[NH2+]C2CC2)CC[N@@H+]1C ZINC000157885878 343200426 /nfs/dbraw/zinc/20/04/26/343200426.db2.gz JVQOTCXKYGWXKD-GXSJLCMTSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)CC[NH2+]C2CC2)CC[N@@H+]1C ZINC000157877272 343200458 /nfs/dbraw/zinc/20/04/58/343200458.db2.gz MVLGVVHFTDQNDO-JQWIXIFHSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000161081301 343203952 /nfs/dbraw/zinc/20/39/52/343203952.db2.gz IEZDGSFOMDCTSF-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP COC[C@H](C)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000163536492 343206884 /nfs/dbraw/zinc/20/68/84/343206884.db2.gz AMIQBOVPCKCZJV-GHMZBOCLSA-N 2 0 200.326 0.940 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)N(C)C)C1 ZINC000168558281 343210346 /nfs/dbraw/zinc/21/03/46/343210346.db2.gz ODKKJJWPPUYQQK-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000237971015 343220920 /nfs/dbraw/zinc/22/09/20/343220920.db2.gz FFFZKPTWEUQPMF-GMTAPVOTSA-N 2 0 225.336 0.372 20 0 BCADRP CC[N@H+](CC(C)C)C[C@@H]1CNCCO1 ZINC000043802172 488208155 /nfs/dbraw/zinc/20/81/55/488208155.db2.gz BKPOJZIUCUOCFV-NSHDSACASA-N 2 0 200.326 0.953 20 0 BCADRP C[NH2+]CCN(C)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000134569496 343194935 /nfs/dbraw/zinc/19/49/35/343194935.db2.gz BVHBZLLQMKBXIA-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP C[NH2+]CCCN(C)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000134589058 343195008 /nfs/dbraw/zinc/19/50/08/343195008.db2.gz PDBILEACDLUVIX-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP CCN1CCN(c2ncnc(N)c2OC)CC1 ZINC000134805569 343195320 /nfs/dbraw/zinc/19/53/20/343195320.db2.gz CYXOEUCFACZKQA-UHFFFAOYSA-N 2 0 237.307 0.209 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000418697143 192061774 /nfs/dbraw/zinc/06/17/74/192061774.db2.gz LMHWYJPWBSPNDC-JTQLQIEISA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@]1(CN2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000310037680 343227198 /nfs/dbraw/zinc/22/71/98/343227198.db2.gz VJPLVOXMAQXPOK-GRYCIOLGSA-N 3 0 209.337 0.137 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000418697144 192061849 /nfs/dbraw/zinc/06/18/49/192061849.db2.gz LMHWYJPWBSPNDC-SNVBAGLBSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H](NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)[C@H](C)[NH3+] ZINC000418697240 192061615 /nfs/dbraw/zinc/06/16/15/192061615.db2.gz LPYFCIBDCWRFRC-ZRUFSTJUSA-N 2 0 242.367 0.456 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000418697237 192061635 /nfs/dbraw/zinc/06/16/35/192061635.db2.gz LPYFCIBDCWRFRC-LMLFDSFASA-N 2 0 242.367 0.456 20 0 BCADRP [NH3+][C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000238016911 343237986 /nfs/dbraw/zinc/23/79/86/343237986.db2.gz MJWYVHWKDZCNHI-AAEUAGOBSA-N 2 0 247.342 0.802 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CCc1ccnn1C ZINC000634687937 343245838 /nfs/dbraw/zinc/24/58/38/343245838.db2.gz DEFMOIKWVACEFB-UHFFFAOYSA-N 2 0 240.351 0.130 20 0 BCADRP CN(CCOC[C@H]1CCCO1)C1(C[NH3+])CCC1 ZINC000569723564 323038856 /nfs/dbraw/zinc/03/88/56/323038856.db2.gz CUBJIHFUCBPNBU-GFCCVEGCSA-N 2 0 242.363 0.995 20 0 BCADRP CCCC[C@@H](C(=O)OC)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000608991201 343253052 /nfs/dbraw/zinc/25/30/52/343253052.db2.gz LHFKTZHDUVEXOV-TUAOUCFPSA-N 2 0 240.347 0.869 20 0 BCADRP C[NH2+]CC1CC[NH+](CCCOC)CC1 ZINC000051756159 343260029 /nfs/dbraw/zinc/26/00/29/343260029.db2.gz ODGUZRXHNLEUTL-UHFFFAOYSA-N 2 0 200.326 0.954 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000340083643 136286019 /nfs/dbraw/zinc/28/60/19/136286019.db2.gz VXDOFHJEADZHBY-GARJFASQSA-N 2 0 227.352 0.333 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000340083640 136286035 /nfs/dbraw/zinc/28/60/35/136286035.db2.gz VXDOFHJEADZHBY-AXFHLTTASA-N 2 0 227.352 0.333 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000569808643 323041062 /nfs/dbraw/zinc/04/10/62/323041062.db2.gz BETFXWDWSKGVBB-VIFPVBQESA-N 2 0 225.336 0.454 20 0 BCADRP C[C@@H](CO)[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000036908623 343327543 /nfs/dbraw/zinc/32/75/43/343327543.db2.gz KDHJJDXICLPTGG-YTWAJWBKSA-N 2 0 200.326 0.686 20 0 BCADRP C[C@@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000036908619 343327699 /nfs/dbraw/zinc/32/76/99/343327699.db2.gz IOZAKVVUHSCGGL-GWOFURMSSA-N 2 0 200.326 0.686 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)CC1CC[NH2+]CC1 ZINC000060264706 343331173 /nfs/dbraw/zinc/33/11/73/343331173.db2.gz ZQBNUZVEYUWJOS-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+]C1(CC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000398109114 488211277 /nfs/dbraw/zinc/21/12/77/488211277.db2.gz LZVLBCCXMVBYFI-UHFFFAOYSA-N 2 0 225.336 0.470 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C2(C)C[NH2+]C2)CC[N@@H+]1C ZINC000335648359 136304342 /nfs/dbraw/zinc/30/43/42/136304342.db2.gz GDNFYBRURYNSIX-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]1)[C@H]1CC12CC[NH2+]CC2 ZINC000335666020 136310930 /nfs/dbraw/zinc/31/09/30/136310930.db2.gz SUEMIFJLWRPNFW-GHMZBOCLSA-N 2 0 237.347 0.244 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN([C@@H](C)C(=O)NC2CC2)C1 ZINC000166231887 136315526 /nfs/dbraw/zinc/31/55/26/136315526.db2.gz RFZVRFIVKBBBQL-LPEHRKFASA-N 2 0 225.336 0.323 20 0 BCADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CSCN1 ZINC000335662342 136315542 /nfs/dbraw/zinc/31/55/42/136315542.db2.gz JRNZBDKHNFJACM-LLVKDONJSA-N 2 0 249.339 0.891 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000335662190 136315601 /nfs/dbraw/zinc/31/56/01/136315601.db2.gz GFAQPIRIRAMLAB-LLVKDONJSA-N 2 0 239.363 0.633 20 0 BCADRP COCCOCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166231175 136315645 /nfs/dbraw/zinc/31/56/45/136315645.db2.gz YHYUMLOTWXLBHV-MNOVXSKESA-N 2 0 216.325 0.319 20 0 BCADRP CN(C(=O)C1CC[NH2+]CC1)C1(C[NH3+])CCC1 ZINC000335664145 136315865 /nfs/dbraw/zinc/31/58/65/136315865.db2.gz VLADHLBWELFNPG-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCC1 ZINC000335663406 136315919 /nfs/dbraw/zinc/31/59/19/136315919.db2.gz OYYKFEDURSLHLY-PHIMTYICSA-N 2 0 237.347 0.326 20 0 BCADRP CN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)C1(C[NH3+])CCC1 ZINC000335664339 136316116 /nfs/dbraw/zinc/31/61/16/136316116.db2.gz ZYECZFZGGSMVDS-JQWIXIFHSA-N 2 0 237.347 0.326 20 0 BCADRP COC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876632 349806981 /nfs/dbraw/zinc/80/69/81/349806981.db2.gz HPUVGUGUJXHHRG-LLVKDONJSA-N 2 0 240.347 0.966 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000040430931 343402397 /nfs/dbraw/zinc/40/23/97/343402397.db2.gz XFYBZUXCROCCGL-JQWIXIFHSA-N 2 0 235.331 0.753 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)CC[NH3+])c1ccccc1 ZINC000040802227 343409500 /nfs/dbraw/zinc/40/95/00/343409500.db2.gz TWTYLYUSVXITFT-LBPRGKRZSA-N 2 0 235.331 0.754 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+](C)C ZINC000040855265 343410169 /nfs/dbraw/zinc/41/01/69/343410169.db2.gz UGELWVNHPHLYMP-SNVBAGLBSA-N 2 0 235.331 0.712 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000151735114 343412581 /nfs/dbraw/zinc/41/25/81/343412581.db2.gz OLCJQISNXBYKFG-NSHDSACASA-N 2 0 229.368 0.864 20 0 BCADRP O=C(NC1CC[NH2+]CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000335699059 136328266 /nfs/dbraw/zinc/32/82/66/136328266.db2.gz RVHGPZZZTKNCNG-ZWNOBZJWSA-N 2 0 237.347 0.244 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)o1 ZINC000335720857 136345664 /nfs/dbraw/zinc/34/56/64/136345664.db2.gz DEWUTTARSTVUEB-DTWKUNHWSA-N 2 0 237.303 0.738 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000166336069 136351833 /nfs/dbraw/zinc/35/18/33/136351833.db2.gz SBZMNHBVMOCNMP-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]C1(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000335700457 136333676 /nfs/dbraw/zinc/33/36/76/136333676.db2.gz ZUAYLUAGZTVWIY-UHFFFAOYSA-N 2 0 231.299 0.762 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc[nH]n1 ZINC000350267000 136357270 /nfs/dbraw/zinc/35/72/70/136357270.db2.gz NGRIVPRHRCTNKG-UHFFFAOYSA-N 2 0 240.351 0.858 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H](C)[NH3+] ZINC000166638827 136362210 /nfs/dbraw/zinc/36/22/10/136362210.db2.gz IMSATVQOGWFACK-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP CN(C)C(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247984925 136373361 /nfs/dbraw/zinc/37/33/61/136373361.db2.gz ISHDFRFEYUIJPW-VXGBXAGGSA-N 2 0 239.363 0.491 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000261542283 136374383 /nfs/dbraw/zinc/37/43/83/136374383.db2.gz GMUFBYXGGAICCY-GXSJLCMTSA-N 2 0 213.325 0.230 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000580775117 365750959 /nfs/dbraw/zinc/75/09/59/365750959.db2.gz NYVDSWLHZDLJRE-NTZNESFSSA-N 2 0 237.347 0.326 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN(C)C[C@@H]1CCC[NH+]1C ZINC000310490058 343515257 /nfs/dbraw/zinc/51/52/57/343515257.db2.gz FTJCQIUIIDYLIM-QWHCGFSZSA-N 2 0 243.395 0.325 20 0 BCADRP C[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000152302522 343528285 /nfs/dbraw/zinc/52/82/85/343528285.db2.gz LIMXWWVVDQLUTK-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)CCC[NH2+]C[C@H]1CCCOC1 ZINC000084718501 343536092 /nfs/dbraw/zinc/53/60/92/343536092.db2.gz HOAQKJQYLBOAQD-LLVKDONJSA-N 2 0 200.326 0.954 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2([NH+](C)C)CC2)C1 ZINC000616696674 343541303 /nfs/dbraw/zinc/54/13/03/343541303.db2.gz GAOSBUHZISOBAB-PHIMTYICSA-N 2 0 239.363 0.537 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)CN)C1 ZINC000570171727 323051931 /nfs/dbraw/zinc/05/19/31/323051931.db2.gz JIKMAXHNMBTBQX-SECBINFHSA-N 2 0 249.305 0.429 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCCC[NH2+]2)C[C@@H]1[NH3+] ZINC000570187943 323052318 /nfs/dbraw/zinc/05/23/18/323052318.db2.gz IEJSKOUPQDGDHT-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP O=C(CC[NH2+]C1CC1)NCC[NH+]1CCCCC1 ZINC000049575476 343603325 /nfs/dbraw/zinc/60/33/25/343603325.db2.gz HXCOKORHKYKHRP-UHFFFAOYSA-N 2 0 239.363 0.731 20 0 BCADRP CCOCC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000580565191 365781406 /nfs/dbraw/zinc/78/14/06/365781406.db2.gz YBRJBLVYXYDKNV-OLZOCXBDSA-N 2 0 242.363 0.851 20 0 BCADRP CC(C)C[N@H+](CC(N)=O)Cc1ccnc(N)c1 ZINC000052726299 343638183 /nfs/dbraw/zinc/63/81/83/343638183.db2.gz VEBBULGSJBYYRJ-UHFFFAOYSA-N 2 0 236.319 0.607 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[C@H](C)[NH3+] ZINC000584111934 343697307 /nfs/dbraw/zinc/69/73/07/343697307.db2.gz DJZOUHAPHIEZTC-XHNCKOQMSA-N 2 0 216.329 0.149 20 0 BCADRP C[C@@H](NC(=O)CC[C@H](C)[NH3+])[C@H]1CCC[NH2+]C1 ZINC000584112625 343697815 /nfs/dbraw/zinc/69/78/15/343697815.db2.gz ZLKIKIFVYWOVSD-AXFHLTTASA-N 2 0 227.352 0.618 20 0 BCADRP CC[NH+](CC)CCNC(=O)C1([NH3+])CCC1 ZINC000088050005 343698765 /nfs/dbraw/zinc/69/87/65/343698765.db2.gz QVAURYVFMXLMDO-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP CC(C)COCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000232689239 537804568 /nfs/dbraw/zinc/80/45/68/537804568.db2.gz IHLXFKQPXKJQEU-RYUDHWBXSA-N 2 0 212.337 0.810 20 0 BCADRP CC(C)COCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000232690550 537804635 /nfs/dbraw/zinc/80/46/35/537804635.db2.gz IHLXFKQPXKJQEU-VXGBXAGGSA-N 2 0 212.337 0.810 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)C[NH2+]C1CC1 ZINC000153912811 343706259 /nfs/dbraw/zinc/70/62/59/343706259.db2.gz HBYBSVDNYTUTIO-SNVBAGLBSA-N 2 0 211.309 0.078 20 0 BCADRP CC(C)[C@@H](CO)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000394058390 343681932 /nfs/dbraw/zinc/68/19/32/343681932.db2.gz DLBYPTSSISFULS-CHWSQXEVSA-N 2 0 244.379 0.297 20 0 BCADRP CCNC(=O)CC[N@@H+]1CCc2nc[nH]c2C1 ZINC000625438491 343740110 /nfs/dbraw/zinc/74/01/10/343740110.db2.gz UVKHDIVLZWYIRB-UHFFFAOYSA-N 2 0 222.292 0.294 20 0 BCADRP Cn1cc(CC[N@@H+]2CCc3nc[nH]c3C2)cn1 ZINC000625437444 343740183 /nfs/dbraw/zinc/74/01/83/343740183.db2.gz RMCUHDQSRIRLDY-UHFFFAOYSA-N 2 0 231.303 0.744 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000154664438 343743931 /nfs/dbraw/zinc/74/39/31/343743931.db2.gz IGFIVHYUHJRTMK-VXGBXAGGSA-N 2 0 239.363 0.727 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000154273921 343713071 /nfs/dbraw/zinc/71/30/71/343713071.db2.gz UXBQTHSSADPGIZ-MNOVXSKESA-N 2 0 227.352 0.666 20 0 BCADRP C[C@H](CC(=O)NCC[C@H](C)[NH3+])[C@H]1CCC[NH2+]C1 ZINC000247317890 343715168 /nfs/dbraw/zinc/71/51/68/343715168.db2.gz RYUBZJSUGMRYIX-WOPDTQHZSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000418726516 192064974 /nfs/dbraw/zinc/06/49/74/192064974.db2.gz LRDDRSBCFGQRQB-WDEREUQCSA-N 2 0 244.383 0.739 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418726501 192064992 /nfs/dbraw/zinc/06/49/92/192064992.db2.gz LPAPJYPDOZCDOO-OUAUKWLOSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000418733002 192065002 /nfs/dbraw/zinc/06/50/02/192065002.db2.gz UZHFOIAZHWQZDB-ZJUUUORDSA-N 2 0 242.367 0.458 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000570395290 323057958 /nfs/dbraw/zinc/05/79/58/323057958.db2.gz JNXNLYJCVRPNBW-AXFHLTTASA-N 2 0 244.383 0.752 20 0 BCADRP c1cnn(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000088430175 343724735 /nfs/dbraw/zinc/72/47/35/343724735.db2.gz DEJYBIOHEJPSQJ-PHIMTYICSA-N 2 0 206.293 0.034 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000584182634 343770815 /nfs/dbraw/zinc/77/08/15/343770815.db2.gz HDXINIZEBLBCIF-QJPTWQEYSA-N 2 0 211.353 0.988 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C[NH2+]CC1CC1)C2 ZINC000621684898 343746472 /nfs/dbraw/zinc/74/64/72/343746472.db2.gz VHJMDCZZLHLDNB-YPMHNXCESA-N 2 0 237.347 0.326 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)CC[C@H]1CCC[NH2+]1 ZINC000494538810 529844681 /nfs/dbraw/zinc/84/46/81/529844681.db2.gz ADKLTXHFIZYXLA-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000187878477 259370375 /nfs/dbraw/zinc/37/03/75/259370375.db2.gz KCVJEVZXPYOACM-MNOVXSKESA-N 2 0 232.393 0.594 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1CC[NH+](C(C)C)CC1 ZINC000418728152 192065343 /nfs/dbraw/zinc/06/53/43/192065343.db2.gz MXMCWMPUNNLDDN-LLVKDONJSA-N 2 0 242.367 0.459 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000570395874 323058383 /nfs/dbraw/zinc/05/83/83/323058383.db2.gz ACNAKHVQCVPXPM-LBPRGKRZSA-N 2 0 227.352 0.620 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]C1)NCC[C@H]1CCC[NH2+]1 ZINC000584122830 343762483 /nfs/dbraw/zinc/76/24/83/343762483.db2.gz DBKXGODBRAVQEK-NWDGAFQWSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@H](O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000035601379 537815217 /nfs/dbraw/zinc/81/52/17/537815217.db2.gz RIKFNDWLTBDHAJ-UWVGGRQHSA-N 2 0 200.326 0.687 20 0 BCADRP CCSCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000126248484 343835733 /nfs/dbraw/zinc/83/57/33/343835733.db2.gz YCYZRTSYPZYEHX-NXEZZACHSA-N 2 0 200.351 0.891 20 0 BCADRP CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418379491 529908184 /nfs/dbraw/zinc/90/81/84/529908184.db2.gz KQDUPUBYOPIKDJ-LLVKDONJSA-N 2 0 240.351 0.086 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C2([NH3+])CCC2)CC[NH2+]1 ZINC000564450585 343938723 /nfs/dbraw/zinc/93/87/23/343938723.db2.gz WDLMBCSYKVVVPE-DTWKUNHWSA-N 2 0 211.309 0.125 20 0 BCADRP CCC[C@H](CCO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000634724047 343920614 /nfs/dbraw/zinc/92/06/14/343920614.db2.gz ITWNWEHSDIKFLJ-OLZOCXBDSA-N 2 0 244.379 0.584 20 0 BCADRP C[C@@H]1CN(C(=O)C2([NH3+])CCCC2)CC[C@@H]1[NH3+] ZINC000335892309 344044786 /nfs/dbraw/zinc/04/47/86/344044786.db2.gz CLYKYTMNVYXLMZ-ZJUUUORDSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000335895062 344045269 /nfs/dbraw/zinc/04/52/69/344045269.db2.gz CQKMHIDJVPBJIH-GHMZBOCLSA-N 2 0 239.363 0.905 20 0 BCADRP [NH3+]CCCCc1cn(CC2CC[NH2+]CC2)nn1 ZINC000641232435 362287307 /nfs/dbraw/zinc/28/73/07/362287307.db2.gz DRVYRQAIZYIBJM-UHFFFAOYSA-N 2 0 237.351 0.559 20 0 BCADRP CC1(C)C[NH2+]CC[C@H](NC[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000634733393 344113325 /nfs/dbraw/zinc/11/33/25/344113325.db2.gz DSSHDOGYXJDOBF-SGMGOOAPSA-N 2 0 237.391 0.964 20 0 BCADRP [NH3+]C/C=C\CNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000641285246 362346229 /nfs/dbraw/zinc/34/62/29/362346229.db2.gz GLPSIQIUGCERAQ-DLRQAJBASA-N 2 0 240.351 0.318 20 0 BCADRP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CC[NH2+]C2)C1 ZINC000634733665 344113962 /nfs/dbraw/zinc/11/39/62/344113962.db2.gz KUVJJZGKXWLLLV-WDEREUQCSA-N 2 0 211.353 0.716 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634742002 344163260 /nfs/dbraw/zinc/16/32/60/344163260.db2.gz WKJUBWPPRCBLNG-BETUJISGSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1C[C@H]([NH3+])C1)C2 ZINC000634741753 344163374 /nfs/dbraw/zinc/16/33/74/344163374.db2.gz OADFZLBLUYNMOM-SAJZGUIJSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000156388778 344131988 /nfs/dbraw/zinc/13/19/88/344131988.db2.gz JCUCVUYUGZQENB-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000130409938 344137007 /nfs/dbraw/zinc/13/70/07/344137007.db2.gz RUWMINDQTYSSCP-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]([NH3+])CC ZINC000130453933 344139995 /nfs/dbraw/zinc/13/99/95/344139995.db2.gz OASMTCGHOTUGGY-NXEZZACHSA-N 2 0 215.341 0.570 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC000518359291 344210416 /nfs/dbraw/zinc/21/04/16/344210416.db2.gz WYSUMEYSBUKLDC-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CC[NH2+]C2)CCCCC1 ZINC000131675860 344234665 /nfs/dbraw/zinc/23/46/65/344234665.db2.gz BTDWZRIQZOIWCJ-VIFPVBQESA-N 2 0 211.309 0.126 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CCC[NH3+])C2 ZINC000634750089 344192267 /nfs/dbraw/zinc/19/22/67/344192267.db2.gz MYEROEFSZYBXEU-TXEJJXNPSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752795 344205350 /nfs/dbraw/zinc/20/53/50/344205350.db2.gz SLPGCHORHCIHPY-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000634761865 344253489 /nfs/dbraw/zinc/25/34/89/344253489.db2.gz KWYFCXNDRXBKKE-NXEZZACHSA-N 2 0 225.336 0.243 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000634762340 344255578 /nfs/dbraw/zinc/25/55/78/344255578.db2.gz UWMYHCIHBOMCCL-LLVKDONJSA-N 2 0 239.363 0.633 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634765389 344276659 /nfs/dbraw/zinc/27/66/59/344276659.db2.gz QYTLKOQGXNHYSG-WZRBSPASSA-N 2 0 237.347 0.387 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768394 344280305 /nfs/dbraw/zinc/28/03/05/344280305.db2.gz IJVLABLNJRFBRJ-FOGDFJRCSA-N 2 0 225.336 0.372 20 0 BCADRP O=C(C[C@@H]1CC[NH2+]C1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768671 344280566 /nfs/dbraw/zinc/28/05/66/344280566.db2.gz TTYWBWHQMKPUNO-LOWVWBTDSA-N 2 0 237.347 0.244 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)co1 ZINC000634768488 344280574 /nfs/dbraw/zinc/28/05/74/344280574.db2.gz MJMAWDAQSOHRAW-MFKMUULPSA-N 2 0 249.314 0.610 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768776 344280720 /nfs/dbraw/zinc/28/07/20/344280720.db2.gz YHLUREQDQUUDFY-BREBYQMCSA-N 2 0 237.347 0.243 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768456 344280727 /nfs/dbraw/zinc/28/07/27/344280727.db2.gz LCXSXTFWARPMQY-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768672 344280812 /nfs/dbraw/zinc/28/08/12/344280812.db2.gz TTYWBWHQMKPUNO-WZRBSPASSA-N 2 0 237.347 0.244 20 0 BCADRP [NH3+]C1(CC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000634769689 344284052 /nfs/dbraw/zinc/28/40/52/344284052.db2.gz KRYURBFNLDSTSN-SKDRFNHKSA-N 2 0 223.320 0.126 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092004540 344287812 /nfs/dbraw/zinc/28/78/12/344287812.db2.gz HYMXTFTXABFPKX-UTUOFQBUSA-N 2 0 239.363 0.809 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000092137009 344289016 /nfs/dbraw/zinc/28/90/16/344289016.db2.gz NDASCVDSVONLHM-LLVKDONJSA-N 2 0 241.379 0.642 20 0 BCADRP CC(C)[NH2+]CCC(=O)N(C)C1CC[NH2+]CC1 ZINC000131655228 344319317 /nfs/dbraw/zinc/31/93/17/344319317.db2.gz YPSVQHYVTZJLIE-UHFFFAOYSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000573605420 344326478 /nfs/dbraw/zinc/32/64/78/344326478.db2.gz QNBQAFMDGFZTTL-QWRGUYRKSA-N 2 0 239.363 0.537 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000131842015 344334620 /nfs/dbraw/zinc/33/46/20/344334620.db2.gz JLXYQUOUZIFEKG-NEPJUHHUSA-N 2 0 239.363 0.492 20 0 BCADRP CC(C)OC(=O)CC[N@H+](C)CCOCC[NH3+] ZINC000600743092 344367302 /nfs/dbraw/zinc/36/73/02/344367302.db2.gz ZIQMLZADZPUCSN-UHFFFAOYSA-N 2 0 232.324 0.235 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]([NH3+])CCSC ZINC000131873791 344356461 /nfs/dbraw/zinc/35/64/61/344356461.db2.gz NCXSMIAZDKMVBR-DTWKUNHWSA-N 2 0 233.381 0.039 20 0 BCADRP C[NH2+]CCC[N@H+](C)CCCCC(=O)OC ZINC000600708162 344360635 /nfs/dbraw/zinc/36/06/35/344360635.db2.gz CXBASYJTWRSWIU-UHFFFAOYSA-N 2 0 216.325 0.871 20 0 BCADRP COC(=O)CCCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000600712353 344361558 /nfs/dbraw/zinc/36/15/58/344361558.db2.gz XFQAKVJPZHCPOU-MNOVXSKESA-N 2 0 228.336 0.999 20 0 BCADRP COC(=O)CCCC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000600712183 344361741 /nfs/dbraw/zinc/36/17/41/344361741.db2.gz XKRJXUNSQJLJPX-NSHDSACASA-N 2 0 244.335 0.379 20 0 BCADRP c1cn(-c2cc(N3CCC[NH2+]CC3)ncn2)cn1 ZINC000634807455 344392323 /nfs/dbraw/zinc/39/23/23/344392323.db2.gz NAINWQCVXFWKSO-UHFFFAOYSA-N 2 0 244.302 0.462 20 0 BCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000236786110 344403020 /nfs/dbraw/zinc/40/30/20/344403020.db2.gz CUHPAMXAUSNYCF-NSHDSACASA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCCCC[NH+](C)C ZINC000041679619 344439816 /nfs/dbraw/zinc/43/98/16/344439816.db2.gz XWHRIUISUHLOLG-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000382950361 344471237 /nfs/dbraw/zinc/47/12/37/344471237.db2.gz LMHRIEBOGOWFKQ-QWRGUYRKSA-N 2 0 241.379 0.973 20 0 BCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000036999031 344485239 /nfs/dbraw/zinc/48/52/39/344485239.db2.gz QQWSFKHPAOXHMA-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH3+])CC[C@H]1[NH3+] ZINC000381241953 344487997 /nfs/dbraw/zinc/48/79/97/344487997.db2.gz NHPDZCFBINOAEZ-RKDXNWHRSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH3+])CC[C@@H]1[NH3+] ZINC000381241936 344488112 /nfs/dbraw/zinc/48/81/12/344488112.db2.gz NHPDZCFBINOAEZ-BDAKNGLRSA-N 2 0 213.325 0.167 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000418361667 529981901 /nfs/dbraw/zinc/98/19/01/529981901.db2.gz ARTCPWIUJQVNGB-GHMZBOCLSA-N 2 0 242.367 0.365 20 0 BCADRP CSCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085282230 344517583 /nfs/dbraw/zinc/51/75/83/344517583.db2.gz LDCKZDHVCCAMBL-NXEZZACHSA-N 2 0 200.351 0.891 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](C)[NH3+])C1 ZINC000641413889 362404376 /nfs/dbraw/zinc/40/43/76/362404376.db2.gz RGELIHCOVWGYMT-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)C[NH3+] ZINC000044806577 344548655 /nfs/dbraw/zinc/54/86/55/344548655.db2.gz AWNHNEHXXLDHPB-DTWKUNHWSA-N 2 0 201.314 0.038 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000309412113 347056135 /nfs/dbraw/zinc/05/61/35/347056135.db2.gz IRCVHHXVKUNPPO-ZJUUUORDSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@@H]1CN(CC[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CCO1 ZINC000573966912 344578632 /nfs/dbraw/zinc/57/86/32/344578632.db2.gz AHBBVKDOHBXBGF-XQQFMLRXSA-N 2 0 241.379 0.376 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000641423671 362407757 /nfs/dbraw/zinc/40/77/57/362407757.db2.gz DNRIWVRFLPEXGX-MNOVXSKESA-N 2 0 242.367 0.458 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000158293667 344583935 /nfs/dbraw/zinc/58/39/35/344583935.db2.gz DDLZDYGBLCKQOR-OLZOCXBDSA-N 2 0 237.347 0.198 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000641426676 362410423 /nfs/dbraw/zinc/41/04/23/362410423.db2.gz VOVQRFXHVHPAGW-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H](C)[NH3+] ZINC000641494232 362460713 /nfs/dbraw/zinc/46/07/13/362460713.db2.gz UGCDLVFWPRHFLA-SNVBAGLBSA-N 2 0 230.356 0.315 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000577867799 344639368 /nfs/dbraw/zinc/63/93/68/344639368.db2.gz ADMLFSCBNCVFTH-MXWKQRLJSA-N 2 0 240.351 0.130 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC([NH2+]C)CC1 ZINC000577867488 344639759 /nfs/dbraw/zinc/63/97/59/344639759.db2.gz DCDHKEOBRMOPMV-NWDGAFQWSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCC[NH3+] ZINC000387528072 344699775 /nfs/dbraw/zinc/69/97/75/344699775.db2.gz JIYPXOVDVYSCRU-VIFPVBQESA-N 2 0 215.341 0.476 20 0 BCADRP CN(C)C(=O)CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000390112496 259380528 /nfs/dbraw/zinc/38/05/28/259380528.db2.gz AZHIKPFXUUZFQL-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000309362211 537865485 /nfs/dbraw/zinc/86/54/85/537865485.db2.gz APWHNTAVOXWLBY-LPEHRKFASA-N 2 0 213.325 0.452 20 0 BCADRP CC(C)(C[NH3+])NC(=O)COC1CCC([NH3+])CC1 ZINC000578443133 344885958 /nfs/dbraw/zinc/88/59/58/344885958.db2.gz XBRWUKLDVOHPIR-UHFFFAOYSA-N 2 0 243.351 0.126 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)C1CC[NH+](C)CC1 ZINC000429351834 192080988 /nfs/dbraw/zinc/08/09/88/192080988.db2.gz GMNWEQDHUJWSIW-VIFPVBQESA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000579120362 344940227 /nfs/dbraw/zinc/94/02/27/344940227.db2.gz ABGWTUFGJLDGOP-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000574749544 344989685 /nfs/dbraw/zinc/98/96/85/344989685.db2.gz AHHWYLLBRUGCHY-UZWSLXQKSA-N 2 0 237.347 0.372 20 0 BCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H](C)[NH2+]1 ZINC000154199196 345017850 /nfs/dbraw/zinc/01/78/50/345017850.db2.gz UUGBWNAYHVFEEH-GHMZBOCLSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](O)C[NH+](C)C ZINC000154302840 345026153 /nfs/dbraw/zinc/02/61/53/345026153.db2.gz XXNMEYNELWPRSA-NDBYEHHHSA-N 2 0 243.395 0.227 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000154507624 345037448 /nfs/dbraw/zinc/03/74/48/345037448.db2.gz ZDZAUHMMQBHBTI-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000569623441 345039910 /nfs/dbraw/zinc/03/99/10/345039910.db2.gz MCVVSDRWGMLOIA-LBPRGKRZSA-N 2 0 249.358 0.624 20 0 BCADRP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+]1CCCC1 ZINC000667582286 537884361 /nfs/dbraw/zinc/88/43/61/537884361.db2.gz ROXNQANPLKVMLH-NWDGAFQWSA-N 2 0 210.321 0.851 20 0 BCADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000155238904 345074855 /nfs/dbraw/zinc/07/48/55/345074855.db2.gz SIOBJLVQWVLNMG-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000155244148 345074899 /nfs/dbraw/zinc/07/48/99/345074899.db2.gz WRPIPQOIKSHWJE-USZNOCQGSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000155084686 345066883 /nfs/dbraw/zinc/06/68/83/345066883.db2.gz MRLZHHZKDHACDP-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000155657198 345095369 /nfs/dbraw/zinc/09/53/69/345095369.db2.gz OQQQKSNVYKXHSN-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](COC)C1 ZINC000310450666 259382562 /nfs/dbraw/zinc/38/25/62/259382562.db2.gz XZFLKYSYKCIEOX-CHWSQXEVSA-N 2 0 244.379 0.657 20 0 BCADRP CC[C@H]1CN(CC23CC(C2)C[NH2+]3)CC[C@@H]1[NH3+] ZINC000634990873 345173601 /nfs/dbraw/zinc/17/36/01/345173601.db2.gz GKXCDNJTFJRIIN-ZFQMDJOTSA-N 2 0 223.364 0.798 20 0 BCADRP C[NH2+]C[C@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634991142 345173976 /nfs/dbraw/zinc/17/39/76/345173976.db2.gz RNLKLEPYZNFVJA-PNESKVBLSA-N 2 0 223.364 0.670 20 0 BCADRP C[C@@H]1CN(CC23CC(C2)C[NH2+]3)C[C@H](C)[NH2+]1 ZINC000634991154 345174016 /nfs/dbraw/zinc/17/40/16/345174016.db2.gz RRTNVCQUWHFVOY-ZYANWLCNSA-N 2 0 209.337 0.421 20 0 BCADRP C[NH2+][C@@H]1CCCN(C[C@@H](C[NH3+])C(C)C)C1 ZINC000634991217 345174028 /nfs/dbraw/zinc/17/40/28/345174028.db2.gz UVXIJJKVERHUGW-VXGBXAGGSA-N 2 0 213.369 0.901 20 0 BCADRP C[C@H]1CCCN(CC23CC(C2)C[NH2+]3)[C@@H]1C[NH3+] ZINC000634990996 345174080 /nfs/dbraw/zinc/17/40/80/345174080.db2.gz KZNGRXBQHAEFOV-GMKTYKIGSA-N 2 0 223.364 0.798 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000634991300 345174128 /nfs/dbraw/zinc/17/41/28/345174128.db2.gz YHWXBCJHVUYWMO-QJPTWQEYSA-N 2 0 213.369 0.886 20 0 BCADRP C[NH2+]CC1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634990905 345174247 /nfs/dbraw/zinc/17/42/47/345174247.db2.gz HQQJLFBFENJEHU-UHFFFAOYSA-N 2 0 223.364 0.670 20 0 BCADRP C[C@H]1CN(CC23CC(C2)C[NH2+]3)CC[C@@H]1[NH3+] ZINC000634991333 345174884 /nfs/dbraw/zinc/17/48/84/345174884.db2.gz ZVPXFTXEHZPORV-VOBJUBJWSA-N 2 0 209.337 0.408 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1CC12CC(C1)C[NH2+]2 ZINC000634991482 345177734 /nfs/dbraw/zinc/17/77/34/345177734.db2.gz GHVGMNLPEGNZJA-QYNFOATHSA-N 2 0 209.337 0.408 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C[C@H](C[NH3+])C(C)C ZINC000634991651 345178672 /nfs/dbraw/zinc/17/86/72/345178672.db2.gz NBGZYTNPLPXWPF-NWDGAFQWSA-N 2 0 213.369 0.901 20 0 BCADRP C(N1CCC[C@H]2C[NH2+]C[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634994486 345182061 /nfs/dbraw/zinc/18/20/61/345182061.db2.gz FHECTRNEOGAYDV-CMOBGSAGSA-N 2 0 221.348 0.422 20 0 BCADRP CC(C)C[C@H](C[NH3+])NCC12CC(C1)C[NH2+]2 ZINC000634994449 345182069 /nfs/dbraw/zinc/18/20/69/345182069.db2.gz DEKSXZGLBAUHML-MOENNCHZSA-N 2 0 211.353 0.701 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC[C@H](C[NH3+])C(C)C ZINC000634995132 345183378 /nfs/dbraw/zinc/18/33/78/345183378.db2.gz VWPAKBCBMJNOQP-QWRGUYRKSA-N 2 0 201.358 0.790 20 0 BCADRP CC(C)[C@H](C[NH3+])C[NH2+][C@H](C)CCC[NH3+] ZINC000634995382 345184452 /nfs/dbraw/zinc/18/44/52/345184452.db2.gz CFUDIZNZAHUSBL-GHMZBOCLSA-N 2 0 201.358 0.934 20 0 BCADRP C[C@]1(CNCC23CC(C2)C[NH2+]3)CCC[NH2+]C1 ZINC000634995766 345185274 /nfs/dbraw/zinc/18/52/74/345185274.db2.gz OILKTODUXXWIAS-CPCZMJQVSA-N 2 0 223.364 0.718 20 0 BCADRP CC(C)[C@H](C[NH3+])CN[C@H]1CC[NH2+]C[C@H]1C ZINC000634995906 345186141 /nfs/dbraw/zinc/18/61/41/345186141.db2.gz SHRRXDZOJLOBGI-UTUOFQBUSA-N 2 0 213.369 0.805 20 0 BCADRP C[C@@H]1CCN(CC23CC(C2)C[NH2+]3)C[C@@H]1C[NH3+] ZINC000634996418 345187381 /nfs/dbraw/zinc/18/73/81/345187381.db2.gz JEHPQETZDLBUPS-IGJPJIBNSA-N 2 0 223.364 0.655 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000381284629 345241356 /nfs/dbraw/zinc/24/13/56/345241356.db2.gz ZFXZELKJQFNVFF-UWVGGRQHSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000381284630 345241430 /nfs/dbraw/zinc/24/14/30/345241430.db2.gz ZFXZELKJQFNVFF-VHSXEESVSA-N 2 0 213.325 0.372 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[NH+](C)CC2)C1 ZINC000635078139 345242207 /nfs/dbraw/zinc/24/22/07/345242207.db2.gz OSEMRIHUIZXMHX-LBPRGKRZSA-N 2 0 239.363 0.492 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)CCCC[NH3+])C1 ZINC000381290635 345247586 /nfs/dbraw/zinc/24/75/86/345247586.db2.gz CYNNXOVZTSXFFV-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP CC(C)[C@@H](C[NH3+])C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000634993833 345192065 /nfs/dbraw/zinc/19/20/65/345192065.db2.gz HQLTXGWMTMHSAP-SDDRHHMPSA-N 2 0 211.353 0.369 20 0 BCADRP C[C@H]1CCN(CC23CC(C2)C[NH2+]3)[C@H]1CO ZINC000634994103 345192818 /nfs/dbraw/zinc/19/28/18/345192818.db2.gz QLDYXIITNRMYNA-VOBJUBJWSA-N 2 0 210.321 0.441 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@@H](C[NH3+])C(C)C ZINC000634996973 345193562 /nfs/dbraw/zinc/19/35/62/345193562.db2.gz AHINEHMBRBZNMM-GFCCVEGCSA-N 3 0 231.384 0.385 20 0 BCADRP CC(C)[C@@H](C[NH3+])C[N@H+](C)CCOCC[NH3+] ZINC000634997333 345195751 /nfs/dbraw/zinc/19/57/51/345195751.db2.gz JGNZUENQMDUWSY-NSHDSACASA-N 2 0 217.357 0.124 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000634998788 345199577 /nfs/dbraw/zinc/19/95/77/345199577.db2.gz LCBVMCIILISRRL-IJLUTSLNSA-N 2 0 212.337 0.940 20 0 BCADRP Cc1c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cnn1C ZINC000634999494 345200638 /nfs/dbraw/zinc/20/06/38/345200638.db2.gz VJUWEGJLEIYUHB-GXSJLCMTSA-N 2 0 222.336 0.755 20 0 BCADRP CC(C)[C@H](C[NH3+])CN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000634997887 345202818 /nfs/dbraw/zinc/20/28/18/345202818.db2.gz VLAYDZFDBOSTOO-IJLUTSLNSA-N 2 0 213.369 0.947 20 0 BCADRP CC(C)(C)[NH2+]CCN1CCC([NH2+]CCO)CC1 ZINC000635002249 345204230 /nfs/dbraw/zinc/20/42/30/345204230.db2.gz LZSFMNTWKQDHGG-UHFFFAOYSA-N 2 0 243.395 0.421 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635002800 345204999 /nfs/dbraw/zinc/20/49/99/345204999.db2.gz YNPAPEKBJKGTSY-SDDRHHMPSA-N 2 0 211.353 0.654 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635002506 345205136 /nfs/dbraw/zinc/20/51/36/345205136.db2.gz SPFFKAOKTYKRHI-UTUOFQBUSA-N 2 0 211.353 0.796 20 0 BCADRP CCC[C@@H](CCO)[NH2+]C1CC[NH2+]CC1 ZINC000635003471 345206325 /nfs/dbraw/zinc/20/63/25/345206325.db2.gz JWSOTRPNAUWOBK-JTQLQIEISA-N 2 0 200.326 0.879 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC1CC[NH+](CC)CC1 ZINC000449075074 201804597 /nfs/dbraw/zinc/80/45/97/201804597.db2.gz MGKKEWVEPLQHOO-LLVKDONJSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH+](C)CC1(C(=O)NCC[NH+]2CCCC2)CC1 ZINC000635134439 345255443 /nfs/dbraw/zinc/25/54/43/345255443.db2.gz CTHPKTGIRVGBML-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP [NH3+]CCCCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000381317338 345302253 /nfs/dbraw/zinc/30/22/53/345302253.db2.gz UAEFMJGCSHGBOR-GHMZBOCLSA-N 2 0 227.352 0.749 20 0 BCADRP C[C@H](C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000635403026 345349184 /nfs/dbraw/zinc/34/91/84/345349184.db2.gz YSKJTJBSNKTCCG-GHMZBOCLSA-N 2 0 239.363 0.537 20 0 BCADRP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC000635420754 345360684 /nfs/dbraw/zinc/36/06/84/345360684.db2.gz HUSJSVJLVZPVPH-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP COCCOCC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000133304580 345369056 /nfs/dbraw/zinc/36/90/56/345369056.db2.gz GXLMESRXZJRBBR-LBPRGKRZSA-N 2 0 232.368 0.955 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000248447981 345389612 /nfs/dbraw/zinc/38/96/12/345389612.db2.gz DLJZROFGXAQEDX-GMTAPVOTSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635442076 345371530 /nfs/dbraw/zinc/37/15/30/345371530.db2.gz MGNQAMUHMVOTNS-VXGBXAGGSA-N 2 0 241.379 0.783 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000449111784 201811891 /nfs/dbraw/zinc/81/18/91/201811891.db2.gz NYRTUMWJYWDPSR-RYUDHWBXSA-N 2 0 241.379 0.880 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000159107228 345409934 /nfs/dbraw/zinc/40/99/34/345409934.db2.gz QUNPQWYMFJZIOM-ZYHUDNBSSA-N 2 0 243.326 0.146 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449117284 201813288 /nfs/dbraw/zinc/81/32/88/201813288.db2.gz OBFQIFVUMWWMCL-GMTAPVOTSA-N 2 0 227.352 0.332 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NCCc1ncc[nH]1 ZINC000159421103 345432637 /nfs/dbraw/zinc/43/26/37/345432637.db2.gz DTVCDGHGXDHBPS-UHFFFAOYSA-N 2 0 238.335 0.834 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC(C)(C)[NH3+] ZINC000449130532 201816377 /nfs/dbraw/zinc/81/63/77/201816377.db2.gz GZSKGHHCHOGHRJ-QMMMGPOBSA-N 2 0 201.314 0.228 20 0 BCADRP C[C@@H](O)C[N@H+](C)C/C=C/C[NH+](C)C[C@H](C)O ZINC000135601879 345445988 /nfs/dbraw/zinc/44/59/88/345445988.db2.gz WOQQEXFDSULKBT-MTJJXUSZSA-N 2 0 230.352 0.168 20 0 BCADRP C[C@H](C(=O)NC[C@H](C)[N@H+](C)C1CC1)[NH+](C)C ZINC000635490256 345396640 /nfs/dbraw/zinc/39/66/40/345396640.db2.gz IRWLRKFJNQOKBP-VHSXEESVSA-N 2 0 227.352 0.535 20 0 BCADRP COC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(C)C ZINC000159767014 345525785 /nfs/dbraw/zinc/52/57/85/345525785.db2.gz SFGOYOAXNKYKQJ-LLVKDONJSA-N 2 0 245.367 0.006 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]Cc2cc[nH]c2)CC1 ZINC000086254887 345536766 /nfs/dbraw/zinc/53/67/66/345536766.db2.gz CHCGRMAXPPECSW-UHFFFAOYSA-N 2 0 223.320 0.561 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000563087821 323091222 /nfs/dbraw/zinc/09/12/22/323091222.db2.gz SOHBDUAREJJDRL-AAEUAGOBSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)C1C[NH2+]C1 ZINC000563087792 323091226 /nfs/dbraw/zinc/09/12/26/323091226.db2.gz PYNYCWOWVCEQEE-OPRDCNLKSA-N 2 0 225.336 0.051 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000563091479 323091713 /nfs/dbraw/zinc/09/17/13/323091713.db2.gz BMANHIFXSZKCKZ-VPOLOUISSA-N 2 0 242.367 0.409 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NC1(C)CC[NH2+]CC1 ZINC000563092327 323091810 /nfs/dbraw/zinc/09/18/10/323091810.db2.gz MKJCMIVNQWQYIT-ZJUUUORDSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000563114819 323093324 /nfs/dbraw/zinc/09/33/24/323093324.db2.gz DMAQLVMMTPLMSS-PWSUYJOCSA-N 2 0 235.331 0.930 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)NCC[C@H](C)[NH3+])cc1 ZINC000262627736 178904858 /nfs/dbraw/zinc/90/48/58/178904858.db2.gz GKCGAMJNASVNKH-JQWIXIFHSA-N 2 0 235.331 0.848 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000641718058 362639181 /nfs/dbraw/zinc/63/91/81/362639181.db2.gz NNIKWTTTZYCMFJ-GARJFASQSA-N 2 0 240.351 0.130 20 0 BCADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000635557993 345717132 /nfs/dbraw/zinc/71/71/32/345717132.db2.gz GJNGCNUQELVCRX-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP OCC[N@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000212455636 345734936 /nfs/dbraw/zinc/73/49/36/345734936.db2.gz VJGGDCNJLWURQA-LLVKDONJSA-N 2 0 212.337 0.833 20 0 BCADRP C[S@@](=O)CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159982392 345766781 /nfs/dbraw/zinc/76/67/81/345766781.db2.gz WQBGQSDNBSSOLL-OZVIIMIRSA-N 2 0 244.404 0.971 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000381382284 345768767 /nfs/dbraw/zinc/76/87/67/345768767.db2.gz LPHHZMWKHLWTKR-AEJSXWLSSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000581368987 345854365 /nfs/dbraw/zinc/85/43/65/345854365.db2.gz WEXNIPANBGNCEA-UTUOFQBUSA-N 2 0 239.363 0.490 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C2([NH3+])CC2)CC1 ZINC000563160042 323097417 /nfs/dbraw/zinc/09/74/17/323097417.db2.gz MAMRKDUCMAPSLL-SNVBAGLBSA-N 2 0 225.336 0.420 20 0 BCADRP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000635602284 345887785 /nfs/dbraw/zinc/88/77/85/345887785.db2.gz GYZDJBLWVRFVIG-TUAOUCFPSA-N 2 0 241.379 0.878 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000635605979 345889847 /nfs/dbraw/zinc/88/98/47/345889847.db2.gz GHEKWEWLIBUUKE-HBNTYKKESA-N 2 0 227.352 0.535 20 0 BCADRP C[NH+](C)CC1(C(=O)NCc2c[nH]cn2)CC1 ZINC000635591015 345884175 /nfs/dbraw/zinc/88/41/75/345884175.db2.gz ZEVILZMWCCYXNE-UHFFFAOYSA-N 2 0 222.292 0.368 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178869277 345918310 /nfs/dbraw/zinc/91/83/10/345918310.db2.gz MJRXFNRHXRKATE-JQWIXIFHSA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)CCCC[NH3+] ZINC000381451349 345925144 /nfs/dbraw/zinc/92/51/44/345925144.db2.gz HLTVUWGXYXDFND-JTQLQIEISA-N 2 0 215.341 0.605 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000563168842 323099740 /nfs/dbraw/zinc/09/97/40/323099740.db2.gz AVSPMTPYBNNKHW-VPOLOUISSA-N 2 0 227.352 0.617 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000449326976 201869548 /nfs/dbraw/zinc/86/95/48/201869548.db2.gz ATSRGPJQTLQFRI-PWSUYJOCSA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000147132437 346002454 /nfs/dbraw/zinc/00/24/54/346002454.db2.gz MKTONDPTLOWRPS-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635768874 346058937 /nfs/dbraw/zinc/05/89/37/346058937.db2.gz YXFFCKGDQPJDLZ-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000375426971 537936819 /nfs/dbraw/zinc/93/68/19/537936819.db2.gz JTSUUIRGGNFMHE-NXEZZACHSA-N 2 0 247.342 0.889 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C)CC[NH3+] ZINC000449372205 201889468 /nfs/dbraw/zinc/88/94/68/201889468.db2.gz DKEXNRZVIFYSHA-VHSXEESVSA-N 2 0 229.368 0.864 20 0 BCADRP [NH3+][C@H](CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])C1CC1 ZINC000449379171 201895246 /nfs/dbraw/zinc/89/52/46/201895246.db2.gz ZSIFTGRLHWIDGW-SDDRHHMPSA-N 2 0 239.363 0.748 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@@H](C)[NH+](C)C ZINC000635885126 346102143 /nfs/dbraw/zinc/10/21/43/346102143.db2.gz URHJKNGZAUWTNR-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)[NH+](C)C)C[NH+](C)C ZINC000635955123 346118221 /nfs/dbraw/zinc/11/82/21/346118221.db2.gz UWTROFQRUQGGIS-NXEZZACHSA-N 2 0 215.341 0.250 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCn3cncc3C2)C1 ZINC000635945246 346118943 /nfs/dbraw/zinc/11/89/43/346118943.db2.gz OZNJRIZKSMSKEN-NSHDSACASA-N 2 0 248.330 0.567 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000429410435 192098085 /nfs/dbraw/zinc/09/80/85/192098085.db2.gz QTSGBTRSFPMBDD-PHIMTYICSA-N 2 0 227.352 0.537 20 0 BCADRP C[N@H+](CCCNC(=O)C[NH3+])C1CCCCC1 ZINC000037901327 346254831 /nfs/dbraw/zinc/25/48/31/346254831.db2.gz UICKROGWABMNRO-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000563091814 349949822 /nfs/dbraw/zinc/94/98/22/349949822.db2.gz FLADQUWXWYHJGY-YNFQOJQRSA-N 2 0 230.356 0.537 20 0 BCADRP C[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000636053598 346300685 /nfs/dbraw/zinc/30/06/85/346300685.db2.gz LMKDRCJSLCBGHJ-MNOVXSKESA-N 2 0 227.352 0.489 20 0 BCADRP C[C@H](C(=O)NC1CCC([NH+](C)C)CC1)[NH+](C)C ZINC000636054456 346301104 /nfs/dbraw/zinc/30/11/04/346301104.db2.gz ZWUDXNHLWMDEMD-VOMCLLRMSA-N 2 0 241.379 0.926 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069626461 349951122 /nfs/dbraw/zinc/95/11/22/349951122.db2.gz GBQMSYBCBQNBQI-NSHDSACASA-N 2 0 227.352 0.526 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C)[NH+](C)C ZINC000636092747 346317112 /nfs/dbraw/zinc/31/71/12/346317112.db2.gz UYWFWEUZHZALBZ-HBNTYKKESA-N 2 0 241.379 0.781 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccccc1CC[NH3+] ZINC000563339609 323119314 /nfs/dbraw/zinc/11/93/14/323119314.db2.gz VBSMYUVXHGBPLD-NXEZZACHSA-N 2 0 235.331 0.653 20 0 BCADRP CCCNC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000069729889 349953987 /nfs/dbraw/zinc/95/39/87/349953987.db2.gz FVAXNKVMISCJGG-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP CC(C)[C@@H]1CN(C(=O)[C@@H](C)[NH+](C)C)CC[NH2+]1 ZINC000636239564 346365313 /nfs/dbraw/zinc/36/53/13/346365313.db2.gz OJLPNLVXILWRDC-MNOVXSKESA-N 2 0 227.352 0.393 20 0 BCADRP C[C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000636170553 346343317 /nfs/dbraw/zinc/34/33/17/346343317.db2.gz BLGRKXBWXLOGRZ-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000636170552 346343388 /nfs/dbraw/zinc/34/33/88/346343388.db2.gz BLGRKXBWXLOGRZ-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH+](C)C ZINC000636171057 346344119 /nfs/dbraw/zinc/34/41/19/346344119.db2.gz DWKWGTPCYINLKD-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP C[NH+](C)CCCCNC(=O)CCCC[NH3+] ZINC000069734074 349956353 /nfs/dbraw/zinc/95/63/53/349956353.db2.gz BRMSEVISPAHPOO-UHFFFAOYSA-N 2 0 215.341 0.573 20 0 BCADRP C1C[C@@H]2C[C@H](N[C@@H]3CC[NH2+]C3)CC[N@@H+]2C1 ZINC000157432414 346382818 /nfs/dbraw/zinc/38/28/18/346382818.db2.gz OMHPFRBJLVWDAJ-IJLUTSLNSA-N 2 0 209.337 0.565 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000069803131 349960759 /nfs/dbraw/zinc/96/07/59/349960759.db2.gz SQKMREUOLHKIMP-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000575046808 346423428 /nfs/dbraw/zinc/42/34/28/346423428.db2.gz HKMLHSILWXUVAD-SGIHWFKDSA-N 2 0 202.298 0.116 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H](C)C[NH3+] ZINC000380032436 365815981 /nfs/dbraw/zinc/81/59/81/365815981.db2.gz QRBXQYZPXHJMLP-SECBINFHSA-N 2 0 201.314 0.086 20 0 BCADRP CC(C)[C@@](C)(CN)[NH2+]CCc1cncn1C ZINC000641799324 362749043 /nfs/dbraw/zinc/74/90/43/362749043.db2.gz UJUQCSCQIKLWJC-GFCCVEGCSA-N 2 0 224.352 0.926 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1CCc1cncn1C ZINC000641799353 362749081 /nfs/dbraw/zinc/74/90/81/362749081.db2.gz LIQBMTIMWFTTBE-ONGXEEELSA-N 2 0 208.309 0.384 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1c2ccccc2C[C@@H]1C[NH3+] ZINC000335567085 535049285 /nfs/dbraw/zinc/04/92/85/535049285.db2.gz KLEUHMKKAMBUAJ-YPMHNXCESA-N 2 0 247.342 0.886 20 0 BCADRP C[NH+](C)CC1CCC(NC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000577097831 365814575 /nfs/dbraw/zinc/81/45/75/365814575.db2.gz QFWHXAUEANNPJX-HTAVTVPLSA-N 2 0 239.363 0.585 20 0 BCADRP O=C(C[NH2+]CC1CC1)NCC1=CC[NH2+]CC1 ZINC000186382299 346506917 /nfs/dbraw/zinc/50/69/17/346506917.db2.gz BXQBIXHSXWIZOF-UHFFFAOYSA-N 2 0 223.320 0.022 20 0 BCADRP C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000641800515 362751256 /nfs/dbraw/zinc/75/12/56/362751256.db2.gz YJYUXFLUUVQILT-JFGNBEQYSA-N 2 0 222.336 0.928 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000580076171 346513481 /nfs/dbraw/zinc/51/34/81/346513481.db2.gz VMIQDQLNCBEUDH-HBNTYKKESA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000641800513 362752247 /nfs/dbraw/zinc/75/22/47/362752247.db2.gz YJYUXFLUUVQILT-CKYFFXLPSA-N 2 0 222.336 0.928 20 0 BCADRP [NH3+]CCc1ccccc1C(=O)NC1CC[NH2+]CC1 ZINC000580088104 346519341 /nfs/dbraw/zinc/51/93/41/346519341.db2.gz SWIACZDFSMQIHF-UHFFFAOYSA-N 2 0 247.342 0.670 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000641801241 362754701 /nfs/dbraw/zinc/75/47/01/362754701.db2.gz OJFFAEMXXHNNBB-GMTAPVOTSA-N 3 0 211.353 0.701 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC000641801497 362755315 /nfs/dbraw/zinc/75/53/15/362755315.db2.gz RFNQMBRXROUQCU-BBBLOLIVSA-N 2 0 235.335 0.481 20 0 BCADRP C[C@@H]1CC[C@@H](C[NH3+])N(CCOCC[NH3+])[C@H]1C ZINC000641805708 362760348 /nfs/dbraw/zinc/76/03/48/362760348.db2.gz GMLDLTWXYNVPCA-WOPDTQHZSA-N 3 0 229.368 0.409 20 0 BCADRP [NH3+]CC1(C(=O)NCC2=CC[NH2+]CC2)CCCC1 ZINC000186284604 346501133 /nfs/dbraw/zinc/50/11/33/346501133.db2.gz BWYHOUSXURPPOW-UHFFFAOYSA-N 2 0 237.347 0.541 20 0 BCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N)C[C@@H](C)[NH2+]1 ZINC000187177779 346559459 /nfs/dbraw/zinc/55/94/59/346559459.db2.gz YUHUFZQZMYUACY-RKDXNWHRSA-N 2 0 234.303 0.486 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C(C)(C)C[NH3+] ZINC000380041449 365824167 /nfs/dbraw/zinc/82/41/67/365824167.db2.gz UOLUTXLHQXKQNX-MRVPVSSYSA-N 2 0 201.314 0.086 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)CC1CC[NH2+]CC1 ZINC000374993874 346550475 /nfs/dbraw/zinc/55/04/75/346550475.db2.gz IDCONOSGFKBKBT-SECBINFHSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000164381372 346603445 /nfs/dbraw/zinc/60/34/45/346603445.db2.gz YLDPFLSOKLPWID-HBNTYKKESA-N 2 0 225.336 0.134 20 0 BCADRP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000300396191 346613500 /nfs/dbraw/zinc/61/35/00/346613500.db2.gz BANGPYYPQDYHQL-XWLWVQCSSA-N 2 0 232.393 0.958 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000580194084 346648859 /nfs/dbraw/zinc/64/88/59/346648859.db2.gz RBIDIWNNFWUYMH-PHIMTYICSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000563617203 323131681 /nfs/dbraw/zinc/13/16/81/323131681.db2.gz DQTONIZYRCUWTG-AEJSXWLSSA-N 2 0 243.376 0.030 20 0 BCADRP [NH3+]CCCN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000165684355 346656473 /nfs/dbraw/zinc/65/64/73/346656473.db2.gz XDCAMHRLQYZENI-CYBMUJFWSA-N 2 0 219.332 0.982 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])C1CCC1 ZINC000580646880 365841703 /nfs/dbraw/zinc/84/17/03/365841703.db2.gz QMKMKTDLNGNBKF-MWLCHTKSSA-N 2 0 227.352 0.748 20 0 BCADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)C1CC[NH2+]CC1 ZINC000580190775 346642388 /nfs/dbraw/zinc/64/23/88/346642388.db2.gz OJMYVDAWHMKZGK-SECBINFHSA-N 2 0 247.289 0.099 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000580647090 365843166 /nfs/dbraw/zinc/84/31/66/365843166.db2.gz NOUVDYBKICYROV-GWCFXTLKSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000580647092 365843292 /nfs/dbraw/zinc/84/32/92/365843292.db2.gz NOUVDYBKICYROV-GXFFZTMASA-N 2 0 239.363 0.714 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000037480632 346698326 /nfs/dbraw/zinc/69/83/26/346698326.db2.gz RZUYVVPCCZJEFJ-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H](C)[NH2+]C ZINC000580215754 346699342 /nfs/dbraw/zinc/69/93/42/346699342.db2.gz CFTNULTVXQAJBR-ZWNOBZJWSA-N 2 0 249.358 0.973 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000577177263 365859298 /nfs/dbraw/zinc/85/92/98/365859298.db2.gz ODZPBNFDICMEDG-MPPDQPJWSA-N 2 0 237.347 0.230 20 0 BCADRP [NH3+]CC1(CN2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622004033 370654589 /nfs/dbraw/zinc/65/45/89/370654589.db2.gz JFKHMEHWMROVTO-JQWIXIFHSA-N 2 0 209.337 0.539 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000571157968 323136933 /nfs/dbraw/zinc/13/69/33/323136933.db2.gz XIJKDHCFKZQMQN-ZYHUDNBSSA-N 2 0 227.352 0.348 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000580328794 347166655 /nfs/dbraw/zinc/16/66/55/347166655.db2.gz HNOSOINZWZVQBC-ZJUUUORDSA-N 2 0 243.351 0.126 20 0 BCADRP CC1(C)CN(C(=O)C2CC[NH2+]CC2)CC[NH2+]1 ZINC000335599920 347259134 /nfs/dbraw/zinc/25/91/34/347259134.db2.gz XRBAUZUOXFXHEV-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP C[N@H+](CCCNC(=O)CC[NH3+])Cc1ccccc1 ZINC000019439602 347324984 /nfs/dbraw/zinc/32/49/84/347324984.db2.gz UQRNJPHEBXEYQM-UHFFFAOYSA-N 2 0 249.358 0.974 20 0 BCADRP CC[NH2+]CCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000582111874 347325851 /nfs/dbraw/zinc/32/58/51/347325851.db2.gz KPYAZJUSMAOVAM-JTQLQIEISA-N 2 0 228.340 0.023 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000082280817 347328078 /nfs/dbraw/zinc/32/80/78/347328078.db2.gz DCNSTDOTIQHMRO-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH3+] ZINC000019483200 347329792 /nfs/dbraw/zinc/32/97/92/347329792.db2.gz FKVGMHMWZNLATK-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]([NH3+])CC(F)F ZINC000571439261 323144877 /nfs/dbraw/zinc/14/48/77/323144877.db2.gz MQZVGGDCZPKCHY-VIFPVBQESA-N 2 0 249.305 0.522 20 0 BCADRP CN(Cc1c[nH]cn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000616925414 347457486 /nfs/dbraw/zinc/45/74/86/347457486.db2.gz GZLSOJKAYHEELK-VIFPVBQESA-N 2 0 222.292 0.320 20 0 BCADRP C[NH+](C)CCC[NH2+][C@H]1CCNC(=O)CC1 ZINC000396651770 362827957 /nfs/dbraw/zinc/82/79/57/362827957.db2.gz KFUHXFZSOQJAKI-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C1([NH3+])CCC1 ZINC000088050960 362841395 /nfs/dbraw/zinc/84/13/95/362841395.db2.gz JIXDJGMSUVPDGB-UHFFFAOYSA-N 2 0 227.352 0.668 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000382950360 347506955 /nfs/dbraw/zinc/50/69/55/347506955.db2.gz LMHRIEBOGOWFKQ-MNOVXSKESA-N 2 0 241.379 0.973 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000577219962 365888021 /nfs/dbraw/zinc/88/80/21/365888021.db2.gz RSMYUWJQDJNKMN-QWRGUYRKSA-N 2 0 239.363 0.476 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H](C)C[NH3+] ZINC000380112604 365889814 /nfs/dbraw/zinc/88/98/14/365889814.db2.gz OPTKKVTYUUVESD-QMMMGPOBSA-N 2 0 201.314 0.215 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000382986595 347522552 /nfs/dbraw/zinc/52/25/52/347522552.db2.gz WFLYNCHHMOVFBY-PWSUYJOCSA-N 2 0 239.363 0.680 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000390638393 259396186 /nfs/dbraw/zinc/39/61/86/259396186.db2.gz MHNNQBSOKFTUEP-JEZHCXPESA-N 2 0 213.325 0.213 20 0 BCADRP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000591101271 347619689 /nfs/dbraw/zinc/61/96/89/347619689.db2.gz GONGXQIJUKIDAB-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP COC[C@H](C)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000380121047 365901657 /nfs/dbraw/zinc/90/16/57/365901657.db2.gz UTMUIQCGQQHXQK-GRYCIOLGSA-N 2 0 212.337 0.810 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591667563 347683888 /nfs/dbraw/zinc/68/38/88/347683888.db2.gz GDKJHSPFLHPGIH-SNVBAGLBSA-N 2 0 227.352 0.395 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH2+]C(C)C ZINC000577269469 365909017 /nfs/dbraw/zinc/90/90/17/365909017.db2.gz NGVPOAUYQJZUDQ-NWDGAFQWSA-N 2 0 241.379 0.879 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000334393342 535065185 /nfs/dbraw/zinc/06/51/85/535065185.db2.gz ZXLPTTZGLCGECJ-UHFFFAOYSA-N 2 0 239.363 0.573 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](C)[NH2+]C ZINC000449517015 201950269 /nfs/dbraw/zinc/95/02/69/201950269.db2.gz DHZNESRCMZCFJG-VHSXEESVSA-N 2 0 229.368 0.735 20 0 BCADRP Cn1cncc1CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000401759866 347761562 /nfs/dbraw/zinc/76/15/62/347761562.db2.gz ULEHBOVGYBHGNY-WDEREUQCSA-N 2 0 222.336 0.822 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]([NH3+])C(C)C ZINC000041680069 347799263 /nfs/dbraw/zinc/79/92/63/347799263.db2.gz PJNBBBYNBFLDHM-MNOVXSKESA-N 2 0 229.368 0.816 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000592831343 347827451 /nfs/dbraw/zinc/82/74/51/347827451.db2.gz BUBTVJJKTOSPHV-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP COC(=O)CCC[NH+]1CCC(C)([NH3+])CC1 ZINC000592484428 347786551 /nfs/dbraw/zinc/78/65/51/347786551.db2.gz BTGAJLLPUODGJN-UHFFFAOYSA-N 2 0 214.309 0.753 20 0 BCADRP COC(=O)[C@H](C)C[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000592493350 347787372 /nfs/dbraw/zinc/78/73/72/347787372.db2.gz OZUBRMZEAPTCOX-NXEZZACHSA-N 2 0 214.309 0.337 20 0 BCADRP COC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492331 347787698 /nfs/dbraw/zinc/78/76/98/347787698.db2.gz YSZJWHOUHNUXJQ-NEPJUHHUSA-N 2 0 240.347 0.871 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CNC(C)(C)C[NH+](C)C ZINC000308631010 347930831 /nfs/dbraw/zinc/93/08/31/347930831.db2.gz JKRJUKGJDGIVIN-NSHDSACASA-N 2 0 231.384 0.229 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000449539130 201958699 /nfs/dbraw/zinc/95/86/99/201958699.db2.gz VIANVBVPEFUJMG-ZYHUDNBSSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)c2coc(C[NH3+])c2)CC[NH2+]1 ZINC000577394191 365944192 /nfs/dbraw/zinc/94/41/92/365944192.db2.gz UJJKBRSYINHZJW-PSASIEDQSA-N 2 0 237.303 0.609 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000228509146 349977913 /nfs/dbraw/zinc/97/79/13/349977913.db2.gz OQQQKSNVYKXHSN-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368385324 187384459 /nfs/dbraw/zinc/38/44/59/187384459.db2.gz NLFQMQIEQXJAKH-NSHDSACASA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368687388 187383990 /nfs/dbraw/zinc/38/39/90/187383990.db2.gz KLTBYFYAYIRFAK-HBNTYKKESA-N 2 0 239.363 0.428 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000563706526 323174700 /nfs/dbraw/zinc/17/47/00/323174700.db2.gz JJDWORIWMLOZOZ-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH+](C)CCOCC[NH2+]CC1(F)CC1 ZINC000308502918 323175102 /nfs/dbraw/zinc/17/51/02/323175102.db2.gz HLMXWUXYJVAHBN-UHFFFAOYSA-N 2 0 204.289 0.656 20 0 BCADRP C[C@H](CNC(=O)CCC[NH3+])C[NH+]1CCCCC1 ZINC000038042273 348038440 /nfs/dbraw/zinc/03/84/40/348038440.db2.gz CWEZRVXYDVZKIJ-GFCCVEGCSA-N 2 0 241.379 0.964 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[NH2+]CC1 ZINC000082653105 179341993 /nfs/dbraw/zinc/34/19/93/179341993.db2.gz WKIAXDSPGRDNHW-LBPRGKRZSA-N 2 0 233.315 0.427 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000563716584 323175315 /nfs/dbraw/zinc/17/53/15/323175315.db2.gz YHALTMQKZZGODP-IUCAKERBSA-N 2 0 249.305 0.617 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000295154378 179343723 /nfs/dbraw/zinc/34/37/23/179343723.db2.gz JVABLRKQXVREQM-OLZOCXBDSA-N 2 0 247.342 0.848 20 0 BCADRP CC[NH+]1CCC(NC(=O)C2CC[NH2+]CC2)CC1 ZINC000038098243 348052786 /nfs/dbraw/zinc/05/27/86/348052786.db2.gz BCPNSSILNKYHEP-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000038098262 348053250 /nfs/dbraw/zinc/05/32/50/348053250.db2.gz DVZBVUPMNYXCKM-LLVKDONJSA-N 2 0 227.352 0.570 20 0 BCADRP CC1(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000594739272 348110569 /nfs/dbraw/zinc/11/05/69/348110569.db2.gz RTSVUFXSEBIEIC-NXEZZACHSA-N 2 0 223.320 0.030 20 0 BCADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000594918199 348153373 /nfs/dbraw/zinc/15/33/73/348153373.db2.gz PMRGTNSACZUVBQ-WRWGMCAJSA-N 2 0 240.347 0.868 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C[C@H]1CC[NH2+]C1 ZINC000251431892 362875403 /nfs/dbraw/zinc/87/54/03/362875403.db2.gz SGDYBGHUJMGPRA-NWDGAFQWSA-N 2 0 211.353 0.526 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H](C)C[NH3+] ZINC000336658575 187393780 /nfs/dbraw/zinc/39/37/80/187393780.db2.gz IWVXKXVUUQWLHQ-ONGXEEELSA-N 2 0 215.341 0.461 20 0 BCADRP CC(C)(O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000334995977 187393181 /nfs/dbraw/zinc/39/31/81/187393181.db2.gz IXLMGHXSIQMOIP-PHIMTYICSA-N 2 0 212.337 0.689 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N(C)CC(C)(C)[NH3+] ZINC000595934549 348394031 /nfs/dbraw/zinc/39/40/31/348394031.db2.gz OHNYDKPMKHAULV-MRVPVSSYSA-N 2 0 233.381 0.263 20 0 BCADRP COC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595907714 348397632 /nfs/dbraw/zinc/39/76/32/348397632.db2.gz DXHFMODBNYNTIC-GHMZBOCLSA-N 2 0 228.336 0.999 20 0 BCADRP OCC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000535576605 323186265 /nfs/dbraw/zinc/18/62/65/323186265.db2.gz RJYFRTUHEQFTEV-UHFFFAOYSA-N 2 0 221.304 0.950 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595950317 348403624 /nfs/dbraw/zinc/40/36/24/348403624.db2.gz KQGFXGXKQQSIEI-NXEZZACHSA-N 2 0 247.408 0.556 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](Cc2cnc3n2CCC3)C1 ZINC000596981973 348642887 /nfs/dbraw/zinc/64/28/87/348642887.db2.gz SXVKZXMEUVZELX-SNVBAGLBSA-N 2 0 249.314 0.824 20 0 BCADRP C[N@H+](C[C@H]1CCCC[C@@H]1O)C1CC([NH3+])C1 ZINC000384812265 490191025 /nfs/dbraw/zinc/19/10/25/490191025.db2.gz CNLNLCKPYDOTJH-YYJSSNLHSA-N 2 0 212.337 0.959 20 0 BCADRP COC[C@H](C)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000308838208 348771216 /nfs/dbraw/zinc/77/12/16/348771216.db2.gz MEAPISFNJGVIIS-UTUOFQBUSA-N 2 0 212.337 0.953 20 0 BCADRP COC[C@H](C)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000308838203 348771412 /nfs/dbraw/zinc/77/14/12/348771412.db2.gz MEAPISFNJGVIIS-GRYCIOLGSA-N 2 0 212.337 0.953 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000054076657 348879937 /nfs/dbraw/zinc/87/99/37/348879937.db2.gz ODFARZIPGQDPMR-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000308866844 348979490 /nfs/dbraw/zinc/97/94/90/348979490.db2.gz XHEZZZMIIJVABO-XHNCKOQMSA-N 2 0 201.314 0.069 20 0 BCADRP CCC[N@H+](C)C[C@H](O)CN(C)CCOC ZINC000308865467 348979939 /nfs/dbraw/zinc/97/99/39/348979939.db2.gz QOSWHQVPLABAKB-NSHDSACASA-N 2 0 218.341 0.267 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000575780262 490217186 /nfs/dbraw/zinc/21/71/86/490217186.db2.gz IQGRRUOVFTXROV-NRUUGDAUSA-N 2 0 239.363 0.476 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000054133675 349082930 /nfs/dbraw/zinc/08/29/30/349082930.db2.gz JFKRGQUKNXQGEN-NSHDSACASA-N 2 0 229.368 0.960 20 0 BCADRP CC[N@H+](CC(=O)NCC(C)(C)[NH+](C)C)C1CC1 ZINC000151226631 538024954 /nfs/dbraw/zinc/02/49/54/538024954.db2.gz AMMHZKBSNMKETD-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000248838489 349142103 /nfs/dbraw/zinc/14/21/03/349142103.db2.gz DXYUMDPCPVYYOL-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000250649848 349178129 /nfs/dbraw/zinc/17/81/29/349178129.db2.gz WJNBSZLJNHEZPT-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000449604245 201982795 /nfs/dbraw/zinc/98/27/95/201982795.db2.gz WVUVBBWASGEEML-BJDJZHNGSA-N 2 0 239.363 0.761 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)[C@@H](C)[NH3+])C1 ZINC000248986150 349158757 /nfs/dbraw/zinc/15/87/57/349158757.db2.gz GIQVZGMROJQDCH-OPRDCNLKSA-N 2 0 213.325 0.180 20 0 BCADRP CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000252656602 349209239 /nfs/dbraw/zinc/20/92/39/349209239.db2.gz KJHUWFFUOHCQQT-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)OC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252205351 349198791 /nfs/dbraw/zinc/19/87/91/349198791.db2.gz XBRAAYKMEQSXBP-JHJVBQTASA-N 2 0 244.379 0.845 20 0 BCADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+]C)[NH+](CC)CC ZINC000662965693 490244310 /nfs/dbraw/zinc/24/43/10/490244310.db2.gz LSKLDLRORUXBFA-WDEREUQCSA-N 2 0 229.368 0.831 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC(C)(C)CC[NH3+] ZINC000422539914 192424095 /nfs/dbraw/zinc/42/40/95/192424095.db2.gz LCFATHKEHSJXNW-VIFPVBQESA-N 2 0 215.341 0.618 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000422534763 192424985 /nfs/dbraw/zinc/42/49/85/192424985.db2.gz BKSMRBJJTXDKKM-SNVBAGLBSA-N 2 0 227.352 0.748 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000449609605 201985050 /nfs/dbraw/zinc/98/50/50/201985050.db2.gz NUVYTPCTJMCDHU-MWLCHTKSSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH+](C)CCNC(=O)c1ccccc1CC[NH3+] ZINC000070541438 350018663 /nfs/dbraw/zinc/01/86/63/350018663.db2.gz HFUZNPVKSMDNIS-UHFFFAOYSA-N 2 0 235.331 0.479 20 0 BCADRP [NH3+]CCCNC(=O)c1ccccc1CC[NH3+] ZINC000070542063 350019067 /nfs/dbraw/zinc/01/90/67/350019067.db2.gz FCRJAVQDQIOTNV-UHFFFAOYSA-N 2 0 221.304 0.266 20 0 BCADRP C(CN1CC[NH2+]CC1)[NH2+]C1CCCCC1 ZINC000040397804 191001280 /nfs/dbraw/zinc/00/12/80/191001280.db2.gz CGOZCRIFOMVBHM-UHFFFAOYSA-N 2 0 211.353 0.814 20 0 BCADRP O=C(CC[NH2+]C1CC1)NCc1ncc[nH]1 ZINC000070646720 350039232 /nfs/dbraw/zinc/03/92/32/350039232.db2.gz OIOBHKKPSMWXNM-UHFFFAOYSA-N 2 0 208.265 0.168 20 0 BCADRP CC(C)CNC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000111612030 191006065 /nfs/dbraw/zinc/00/60/65/191006065.db2.gz WIZBVISUSGYIDU-LLVKDONJSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC(C)(C)CC[NH3+] ZINC000422607574 192429424 /nfs/dbraw/zinc/42/94/24/192429424.db2.gz LCDLLBQEYLMTTQ-ZJUUUORDSA-N 2 0 242.367 0.411 20 0 BCADRP C[N@H+](CCNC(=O)C[NH2+]C1CC1)C1CCCC1 ZINC000071378767 350103734 /nfs/dbraw/zinc/10/37/34/350103734.db2.gz CLENXFVDURQFAR-UHFFFAOYSA-N 2 0 239.363 0.729 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](C)C[NH3+] ZINC000309151720 350107612 /nfs/dbraw/zinc/10/76/12/350107612.db2.gz WMDQATMUDUNCJI-WCBMZHEXSA-N 2 0 201.314 0.215 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H](C)C[NH3+] ZINC000309150537 350107688 /nfs/dbraw/zinc/10/76/88/350107688.db2.gz WGJXQRDQBSFNRM-QMMMGPOBSA-N 2 0 201.314 0.215 20 0 BCADRP COCCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000131974939 191020084 /nfs/dbraw/zinc/02/00/84/191020084.db2.gz PYCISRSOMRCECU-QWRGUYRKSA-N 2 0 200.326 0.953 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C[C@@H](C[NH3+])OC ZINC000219245872 350118352 /nfs/dbraw/zinc/11/83/52/350118352.db2.gz IJQNMRRYHWNWDA-NSHDSACASA-N 2 0 245.367 0.198 20 0 BCADRP C[C@H]([NH2+]CCC[NH+](C)C)[C@H]1CCOC1 ZINC000132002711 191021809 /nfs/dbraw/zinc/02/18/09/191021809.db2.gz BIYQCAWXMGKDAU-QWRGUYRKSA-N 2 0 200.326 0.953 20 0 BCADRP C[C@@H]([NH2+]CCC[NH+](C)C)[C@H]1CCOC1 ZINC000132002904 191022297 /nfs/dbraw/zinc/02/22/97/191022297.db2.gz BIYQCAWXMGKDAU-MNOVXSKESA-N 2 0 200.326 0.953 20 0 BCADRP CC(C)NC(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000133789705 191043148 /nfs/dbraw/zinc/04/31/48/191043148.db2.gz BHGXIKBYMBENEH-RYUDHWBXSA-N 2 0 241.379 0.973 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)[N@H+](C)C1CC1 ZINC000219942063 350151155 /nfs/dbraw/zinc/15/11/55/350151155.db2.gz IZCNMSMMYWSSIX-ZJUUUORDSA-N 2 0 239.363 0.441 20 0 BCADRP CC[N@H+](CCNC(=O)C[C@H]1CC[NH2+]C1)C(C)C ZINC000427305233 191057969 /nfs/dbraw/zinc/05/79/69/191057969.db2.gz RMYLVOTYJFWMSJ-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000428461733 191076414 /nfs/dbraw/zinc/07/64/14/191076414.db2.gz JBOZVMSOFGDUMC-UHFFFAOYSA-N 2 0 227.352 0.749 20 0 BCADRP Cc1nccc(NCC[N@@H+]2CCCOCC2)n1 ZINC000275417434 180197528 /nfs/dbraw/zinc/19/75/28/180197528.db2.gz GYHRQSXCCGKFMN-UHFFFAOYSA-N 2 0 236.319 0.919 20 0 BCADRP CC1(C)CN(C(=O)N[C@H](C[NH3+])C2CC2)CC[NH2+]1 ZINC000334927435 350214412 /nfs/dbraw/zinc/21/44/12/350214412.db2.gz CESXMBKPUVUJKZ-SNVBAGLBSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000653232638 490393832 /nfs/dbraw/zinc/39/38/32/490393832.db2.gz GLRSQOVRLCPKJW-UTLUCORTSA-N 2 0 213.325 0.310 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000427576581 191081510 /nfs/dbraw/zinc/08/15/10/191081510.db2.gz DXFSGAQXWGNLAJ-GHMZBOCLSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[C@@H](C(=O)NCC1=CC[NH2+]CC1)[NH+](C)C ZINC000427586827 191082344 /nfs/dbraw/zinc/08/23/44/191082344.db2.gz GBXUIMOPDHBLJA-LBPRGKRZSA-N 2 0 239.363 0.609 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000427614383 191084949 /nfs/dbraw/zinc/08/49/49/191084949.db2.gz WPUSACYJBKDKKA-SCVCMEIPSA-N 2 0 227.352 0.618 20 0 BCADRP Cc1nccnc1CC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000339529675 180274944 /nfs/dbraw/zinc/27/49/44/180274944.db2.gz RTMAWNNZRJDZMO-GWCFXTLKSA-N 2 0 234.347 0.867 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)CC1([NH3+])CCC1 ZINC000125278016 490426673 /nfs/dbraw/zinc/42/66/73/490426673.db2.gz DJFHXRRTBBXBOG-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000422781782 192465466 /nfs/dbraw/zinc/46/54/66/192465466.db2.gz JGGFJZPTPHGYMR-SNVBAGLBSA-N 2 0 248.330 0.629 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000309367019 350354129 /nfs/dbraw/zinc/35/41/29/350354129.db2.gz BIONNEGKKUWPGM-OPRDCNLKSA-N 2 0 213.325 0.215 20 0 BCADRP C[NH2+]CCCNC(=O)c1coc(C[NH3+])c1 ZINC000309367978 350354540 /nfs/dbraw/zinc/35/45/40/350354540.db2.gz BNXWWKGNEIHUMZ-UHFFFAOYSA-N 2 0 211.265 0.078 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1CCOCC[NH3+] ZINC000309369586 350355250 /nfs/dbraw/zinc/35/52/50/350355250.db2.gz BSKQOAUKVHMAMG-NSHDSACASA-N 2 0 215.341 0.036 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000309392270 350366895 /nfs/dbraw/zinc/36/68/95/350366895.db2.gz GBFRWWVPSGYLKZ-MWLCHTKSSA-N 2 0 213.325 0.230 20 0 BCADRP CCN(C)C[C@H](O)C[NH2+][C@@H]1CCOC1(C)C ZINC000328406409 350399921 /nfs/dbraw/zinc/39/99/21/350399921.db2.gz TUUZGRWQOKKHET-GHMZBOCLSA-N 2 0 230.352 0.456 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000069803257 350403509 /nfs/dbraw/zinc/40/35/09/350403509.db2.gz UODDYSMGEPEAJB-JTQLQIEISA-N 2 0 225.336 0.054 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000309301874 323341317 /nfs/dbraw/zinc/34/13/17/323341317.db2.gz UGACKZJWHLSCOT-BBBLOLIVSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@@H](NC(=O)N[C@@H](C)C[C@H](C)[NH3+])[C@H](C)[NH3+] ZINC000521432811 259413705 /nfs/dbraw/zinc/41/37/05/259413705.db2.gz HTQTXGCNGLYVGC-XSPKLOCKSA-N 2 0 216.329 0.147 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000521433777 259413424 /nfs/dbraw/zinc/41/34/24/259413424.db2.gz YBIRRJXRVFKLRM-NSHDSACASA-N 2 0 225.336 0.054 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CCO)C(C)C ZINC000309294456 323341624 /nfs/dbraw/zinc/34/16/24/323341624.db2.gz WRNRAYAHMTWOBV-NEPJUHHUSA-N 2 0 232.368 0.296 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)NCC[NH2+]C2CC2)C1 ZINC000637340372 350465694 /nfs/dbraw/zinc/46/56/94/350465694.db2.gz PSCAOQZXDBJZDG-LLVKDONJSA-N 2 0 240.351 0.132 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NCC[NH2+]C1CC1 ZINC000637339988 350465866 /nfs/dbraw/zinc/46/58/66/350465866.db2.gz NFXDYTBNIINVGO-UHFFFAOYSA-N 2 0 242.367 0.555 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N(C)CCC[NH+](C)C ZINC000577474660 365962303 /nfs/dbraw/zinc/96/23/03/365962303.db2.gz UZWOWUFJJYKOAQ-SNVBAGLBSA-N 2 0 230.356 0.317 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000577474099 365962380 /nfs/dbraw/zinc/96/23/80/365962380.db2.gz RJZDPYRYMYFHSX-GHMZBOCLSA-N 2 0 227.352 0.490 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000163595344 350530919 /nfs/dbraw/zinc/53/09/19/350530919.db2.gz RTFREHCGZIXSED-DTWKUNHWSA-N 2 0 233.381 0.133 20 0 BCADRP CO[C@@H](C)[C@@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000577499460 365970380 /nfs/dbraw/zinc/97/03/80/365970380.db2.gz LSOOLYDMATUIAS-ZJUUUORDSA-N 2 0 200.326 0.999 20 0 BCADRP CC[NH+]1CCC(N[C@H](C)C(=O)NCCF)CC1 ZINC000337420195 350584161 /nfs/dbraw/zinc/58/41/61/350584161.db2.gz FKNFYAPVYJVGRO-SNVBAGLBSA-N 2 0 245.342 0.535 20 0 BCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC[NH2+]1 ZINC000384834844 350592368 /nfs/dbraw/zinc/59/23/68/350592368.db2.gz NQIQABDQNKWFCT-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)NCCC[NH2+]C(C)C ZINC000637479267 350631280 /nfs/dbraw/zinc/63/12/80/350631280.db2.gz FHGLYQJCSHSIPP-LLVKDONJSA-N 2 0 244.383 0.529 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C1CC[NH2+]CC1 ZINC000309515598 350695012 /nfs/dbraw/zinc/69/50/12/350695012.db2.gz RHCNMIGLDVXGOQ-SECBINFHSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000309519561 350695299 /nfs/dbraw/zinc/69/52/99/350695299.db2.gz BAMPCLBAGXYTNR-LPEHRKFASA-N 2 0 213.325 0.099 20 0 BCADRP C[C@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000577602722 366013411 /nfs/dbraw/zinc/01/34/11/366013411.db2.gz KUWZTGROCPFXFF-JTQLQIEISA-N 2 0 212.337 0.974 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000250149280 350877025 /nfs/dbraw/zinc/87/70/25/350877025.db2.gz VSGTXUYRTWDVAS-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCSCc1nc(C(C)(C)[NH3+])no1 ZINC000382649441 350938423 /nfs/dbraw/zinc/93/84/23/350938423.db2.gz VSKJRZPJDMITRC-UHFFFAOYSA-N 2 0 230.337 0.716 20 0 BCADRP CCN(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(C)(C)O ZINC000382817952 351052865 /nfs/dbraw/zinc/05/28/65/351052865.db2.gz VJEFTHFKPKNGFD-QWRGUYRKSA-N 2 0 232.368 0.390 20 0 BCADRP COC[C@H]([NH2+]CC1([NH3+])CCOCC1)C1CC1 ZINC000398147509 363019259 /nfs/dbraw/zinc/01/92/59/363019259.db2.gz YAXZIXKSSMCTER-NSHDSACASA-N 2 0 228.336 0.509 20 0 BCADRP [NH3+]C1(C(=O)NCC[NH+]2CCCCC2)CCC1 ZINC000088050874 351537932 /nfs/dbraw/zinc/53/79/32/351537932.db2.gz HKFVHHFUMBFXGJ-UHFFFAOYSA-N 2 0 225.336 0.470 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1CCC[C@@H](O)C1 ZINC000414671326 351577962 /nfs/dbraw/zinc/57/79/62/351577962.db2.gz NVNJQYVDDMUDDR-GHMZBOCLSA-N 2 0 200.326 0.817 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](O)C2)CC[NH2+]1 ZINC000414671141 351578543 /nfs/dbraw/zinc/57/85/43/351578543.db2.gz NDDPGACTUJRPSF-WOPDTQHZSA-N 2 0 212.337 0.831 20 0 BCADRP [NH3+]CCCNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000637801504 351632510 /nfs/dbraw/zinc/63/25/10/351632510.db2.gz FDGBYTHXXLNFTL-UHFFFAOYSA-N 2 0 247.342 0.340 20 0 BCADRP O=C(N1CC[NH2+]CC1)C12CCC[NH+](CCC1)C2 ZINC000637801779 351633951 /nfs/dbraw/zinc/63/39/51/351633951.db2.gz RLGJQURZBVAVSP-UHFFFAOYSA-N 2 0 237.347 0.294 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]([NH3+])CCC(C)C)C1 ZINC000637802735 351635545 /nfs/dbraw/zinc/63/55/45/351635545.db2.gz UBCPXUBNRWEICV-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](C(=O)NCC1([NH3+])CCCCC1)[NH+](C)C ZINC000637800661 351636503 /nfs/dbraw/zinc/63/65/03/351636503.db2.gz GEKWQHJPCMWLIU-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)c2oc(C[NH3+])cc2C)C1 ZINC000637802785 351637779 /nfs/dbraw/zinc/63/77/79/351637779.db2.gz UTHGFIRQNDPSJB-VIFPVBQESA-N 2 0 237.303 0.481 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]C)C2)CC[N@@H+]1C ZINC000637802810 351638176 /nfs/dbraw/zinc/63/81/76/351638176.db2.gz UZLPIKFDLKXWEA-SDDRHHMPSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H](C(=O)N1CCC(C[NH3+])CC1)[NH+](C)C ZINC000637803696 351639569 /nfs/dbraw/zinc/63/95/69/351639569.db2.gz GHTGKJORMVFGKL-SECBINFHSA-N 2 0 213.325 0.134 20 0 BCADRP CC[C@@H](C(=O)N1CC[NH2+]C[C@@H]1C)[NH+](C)C ZINC000637817747 351662262 /nfs/dbraw/zinc/66/22/62/351662262.db2.gz BSCWUPONFQOUHX-UWVGGRQHSA-N 2 0 213.325 0.147 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637817632 351662438 /nfs/dbraw/zinc/66/24/38/351662438.db2.gz XXGHFSUQDOVEKD-GHMZBOCLSA-N 2 0 223.320 0.374 20 0 BCADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH3+])[NH+](C)C ZINC000637816457 351655976 /nfs/dbraw/zinc/65/59/76/351655976.db2.gz LYEHVAPPSHOAEJ-GHMZBOCLSA-N 2 0 227.352 0.666 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000637816260 351656054 /nfs/dbraw/zinc/65/60/54/351656054.db2.gz FMRNNXFDWVHLPA-VXGBXAGGSA-N 2 0 239.363 0.668 20 0 BCADRP C(CC1C[NH2+]C1)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000637794490 351620936 /nfs/dbraw/zinc/62/09/36/351620936.db2.gz IJBBSVWXTPUKBC-SECBINFHSA-N 2 0 222.292 0.646 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000637797172 351622232 /nfs/dbraw/zinc/62/22/32/351622232.db2.gz MAKNGEGARGINBT-NSHDSACASA-N 2 0 227.352 0.618 20 0 BCADRP C[NH+](C)CC1(C(=O)NC2CC[NH2+]CC2)CC1 ZINC000637797321 351629995 /nfs/dbraw/zinc/62/99/95/351629995.db2.gz CWCZZUSCKXVZKJ-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NCCC[NH3+] ZINC000637801323 351631971 /nfs/dbraw/zinc/63/19/71/351631971.db2.gz NRPGNXUGAFLVNN-VIFPVBQESA-N 2 0 201.314 0.215 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)NC(C)(C)C[NH3+] ZINC000637831319 351684746 /nfs/dbraw/zinc/68/47/46/351684746.db2.gz VWICJNNUFDJFMK-UHFFFAOYSA-N 2 0 225.292 0.514 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000637850816 351708007 /nfs/dbraw/zinc/70/80/07/351708007.db2.gz WNXDIOMCJNOJMA-WCQYABFASA-N 2 0 239.363 0.914 20 0 BCADRP [NH3+][C@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000637834422 351688698 /nfs/dbraw/zinc/68/86/98/351688698.db2.gz ZAQDMUQMICNMDY-CHWSQXEVSA-N 2 0 245.326 0.850 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000637834597 351688945 /nfs/dbraw/zinc/68/89/45/351688945.db2.gz YICNFYWZAJZFGV-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH2+]C1 ZINC000637837364 351691446 /nfs/dbraw/zinc/69/14/46/351691446.db2.gz FJENVYPZESNHRZ-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CCC1C[NH2+]C1 ZINC000637849660 351706897 /nfs/dbraw/zinc/70/68/97/351706897.db2.gz QKSMVOFXOSVQSG-CYBMUJFWSA-N 2 0 241.379 0.866 20 0 BCADRP CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000637837671 351692217 /nfs/dbraw/zinc/69/22/17/351692217.db2.gz KOGISZQQLDCYDP-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000637837743 351692338 /nfs/dbraw/zinc/69/23/38/351692338.db2.gz KBNWZVPQIDVNNL-SNVBAGLBSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H](C)[NH2+]1 ZINC000637841089 351696344 /nfs/dbraw/zinc/69/63/44/351696344.db2.gz QFAWNLRXBZOYSJ-UTUOFQBUSA-N 2 0 239.363 0.680 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH3+])CC[N@@H+]1C ZINC000637840661 351696503 /nfs/dbraw/zinc/69/65/03/351696503.db2.gz GVNJMMNKPZKVTE-GARJFASQSA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH3+])CC[N@@H+]1C ZINC000637840663 351696596 /nfs/dbraw/zinc/69/65/96/351696596.db2.gz GVNJMMNKPZKVTE-OUAUKWLOSA-N 2 0 227.352 0.522 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)CCC1C[NH2+]C1 ZINC000637843741 351703028 /nfs/dbraw/zinc/70/30/28/351703028.db2.gz GNVKIUUORHYIKZ-NSHDSACASA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000637843848 351703362 /nfs/dbraw/zinc/70/33/62/351703362.db2.gz ZKJLHPNAKAFGJQ-YPMHNXCESA-N 2 0 241.379 0.994 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000637847429 351705416 /nfs/dbraw/zinc/70/54/16/351705416.db2.gz ABHJHEOLODYORG-PWSUYJOCSA-N 2 0 229.368 0.864 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000637823360 351668180 /nfs/dbraw/zinc/66/81/80/351668180.db2.gz FUPDTGUJPWJLMI-VHSXEESVSA-N 2 0 215.341 0.603 20 0 BCADRP C[N@H+](CC(=O)N1CC[C@H]([NH3+])C1)CC(C)(C)C ZINC000637823308 351668300 /nfs/dbraw/zinc/66/83/00/351668300.db2.gz QXIRWBUCWUOMAO-JTQLQIEISA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000637823359 351668385 /nfs/dbraw/zinc/66/83/85/351668385.db2.gz FUPDTGUJPWJLMI-UWVGGRQHSA-N 2 0 215.341 0.603 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000637827508 351669657 /nfs/dbraw/zinc/66/96/57/351669657.db2.gz SBAYANUONUCDMW-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@H+](CC(=O)NCC[NH2+]C1CC1)CC(C)(C)C ZINC000637828029 351670607 /nfs/dbraw/zinc/67/06/07/351670607.db2.gz OELVSEAYPSXRIR-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NC(C)(C)C[NH3+] ZINC000637828099 351671465 /nfs/dbraw/zinc/67/14/65/351671465.db2.gz BHPRINSUTPDDIN-SECBINFHSA-N 2 0 215.341 0.603 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000637825768 351671625 /nfs/dbraw/zinc/67/16/25/351671625.db2.gz YFSGJOMZPADMTA-ZJUUUORDSA-N 2 0 213.325 0.147 20 0 BCADRP CCc1cc(N2CC[NH+](CCO)CC2)cc[nH+]1 ZINC000205173623 363082392 /nfs/dbraw/zinc/08/23/92/363082392.db2.gz RAYMVMOMGBDCAD-UHFFFAOYSA-N 2 0 235.331 0.758 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000577731831 366046677 /nfs/dbraw/zinc/04/66/77/366046677.db2.gz VMIQDQLNCBEUDH-AXFHLTTASA-N 2 0 225.336 0.372 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000577731607 366046709 /nfs/dbraw/zinc/04/67/09/366046709.db2.gz JPBAVTSYVUZKDP-RYUDHWBXSA-N 2 0 237.347 0.481 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)CCC1C[NH2+]C1 ZINC000637858613 351720279 /nfs/dbraw/zinc/72/02/79/351720279.db2.gz KYUSKFVMVFMWDD-UHFFFAOYSA-N 2 0 227.352 0.620 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000637861652 351722661 /nfs/dbraw/zinc/72/26/61/351722661.db2.gz MEAKLHQISXHPPE-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637862001 351722802 /nfs/dbraw/zinc/72/28/02/351722802.db2.gz MDWFXTNDBBFPML-NWDGAFQWSA-N 2 0 239.363 0.866 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000637865585 351725708 /nfs/dbraw/zinc/72/57/08/351725708.db2.gz COCGSFGSCBEYIB-WDEREUQCSA-N 2 0 225.336 0.668 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](C)[NH+](C)C ZINC000637866540 351726439 /nfs/dbraw/zinc/72/64/39/351726439.db2.gz MTUXYRCWOKQNBN-NXEZZACHSA-N 2 0 215.341 0.570 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000637852301 351711159 /nfs/dbraw/zinc/71/11/59/351711159.db2.gz MUBLQCPVTOXBLR-OUAUKWLOSA-N 2 0 227.352 0.618 20 0 BCADRP Cc1nc[nH]c1CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000637852594 351711254 /nfs/dbraw/zinc/71/12/54/351711254.db2.gz OEHKWGLWNRHTGE-LBPRGKRZSA-N 2 0 238.335 0.750 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000637852300 351711514 /nfs/dbraw/zinc/71/15/14/351711514.db2.gz MUBLQCPVTOXBLR-MXWKQRLJSA-N 2 0 227.352 0.618 20 0 BCADRP C[N@H+](CC(=O)N[C@H](C[NH3+])C1CC1)CC(C)(C)C ZINC000637854735 351713801 /nfs/dbraw/zinc/71/38/01/351713801.db2.gz FGKHLUFVAGPXRQ-LLVKDONJSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000637855054 351714775 /nfs/dbraw/zinc/71/47/75/351714775.db2.gz JDUZDBKWAHOJRV-JTQLQIEISA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000572362333 323610160 /nfs/dbraw/zinc/61/01/60/323610160.db2.gz FVTZFALRNNVMHQ-QWRGUYRKSA-N 2 0 227.352 0.429 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH3+])C1)[C@@H](C)[NH3+] ZINC000577848383 366082464 /nfs/dbraw/zinc/08/24/64/366082464.db2.gz SVVZMBCBXJKAPE-WOPDTQHZSA-N 2 0 241.379 0.803 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000340081112 351882660 /nfs/dbraw/zinc/88/26/60/351882660.db2.gz ABUXCAFZVOMVGU-HBNTYKKESA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@H]1CCC[C@H]1[NH3+] ZINC000340081111 351882710 /nfs/dbraw/zinc/88/27/10/351882710.db2.gz ABUXCAFZVOMVGU-GMTAPVOTSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000335471062 133878616 /nfs/dbraw/zinc/87/86/16/133878616.db2.gz BNEHBUZQAHTYEZ-ZYHUDNBSSA-N 2 0 237.347 0.410 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000638076120 351948992 /nfs/dbraw/zinc/94/89/92/351948992.db2.gz JAKRAIXKESRTOM-MWLCHTKSSA-N 2 0 227.352 0.441 20 0 BCADRP CCCN(C(=O)C[C@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000638045974 351925265 /nfs/dbraw/zinc/92/52/65/351925265.db2.gz DAGPUTWNCWWSBK-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NC1CC[NH+](C)CC1 ZINC000638049938 351927108 /nfs/dbraw/zinc/92/71/08/351927108.db2.gz ITSSCZNFFWIAFX-LBPRGKRZSA-N 2 0 241.379 0.960 20 0 BCADRP O=C(CCC1C[NH2+]C1)NCC[NH+]1CCCCC1 ZINC000638056902 351932721 /nfs/dbraw/zinc/93/27/21/351932721.db2.gz MKVLEOSWQZGYCJ-UHFFFAOYSA-N 2 0 239.363 0.588 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000638060859 351934424 /nfs/dbraw/zinc/93/44/24/351934424.db2.gz SSTNSSTYUQBDFK-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)CCC2C[NH2+]C2)C1 ZINC000638072584 351942359 /nfs/dbraw/zinc/94/23/59/351942359.db2.gz OWCMZFUGVGOSHG-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000638072838 351942833 /nfs/dbraw/zinc/94/28/33/351942833.db2.gz PZEKDWWTVRQBJO-ZYHUDNBSSA-N 2 0 249.358 0.634 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000638071504 351943293 /nfs/dbraw/zinc/94/32/93/351943293.db2.gz FXDNITDMKBGWHW-FRRDWIJNSA-N 2 0 249.358 0.777 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638071260 351943550 /nfs/dbraw/zinc/94/35/50/351943550.db2.gz BBWYHTIAXCBYAG-CMPLNLGQSA-N 2 0 237.347 0.492 20 0 BCADRP COC[C@@H](O)C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000574983805 351888158 /nfs/dbraw/zinc/88/81/58/351888158.db2.gz BYTOSVVRCDJHKF-STQMWFEESA-N 2 0 244.379 0.848 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000638072751 351945248 /nfs/dbraw/zinc/94/52/48/351945248.db2.gz VIXXCRSHQTXGRM-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)[NH+](C)C ZINC000638145319 352007884 /nfs/dbraw/zinc/00/78/84/352007884.db2.gz KMVRQVVQDLGGPQ-IVZWLZJFSA-N 2 0 213.325 0.132 20 0 BCADRP C[C@H](C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[NH+](C)C ZINC000638145317 352008296 /nfs/dbraw/zinc/00/82/96/352008296.db2.gz KMVRQVVQDLGGPQ-BBBLOLIVSA-N 2 0 213.325 0.132 20 0 BCADRP CCC[NH2+]CCNC(=O)c1oc(C[NH3+])cc1C ZINC000638148467 352009842 /nfs/dbraw/zinc/00/98/42/352009842.db2.gz ZZQKWHLPTOEPBO-UHFFFAOYSA-N 2 0 239.319 0.776 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000638077550 351951216 /nfs/dbraw/zinc/95/12/16/351951216.db2.gz UMWVLBSGPGREQN-GHMZBOCLSA-N 2 0 229.368 0.831 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH3+])CC[N@@H+]1C ZINC000638146558 352010597 /nfs/dbraw/zinc/01/05/97/352010597.db2.gz UPVFXYVSDUESFY-GARJFASQSA-N 2 0 227.352 0.428 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH3+])CC[N@@H+]1C ZINC000638146559 352010680 /nfs/dbraw/zinc/01/06/80/352010680.db2.gz UPVFXYVSDUESFY-OUAUKWLOSA-N 2 0 227.352 0.428 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638079310 351954131 /nfs/dbraw/zinc/95/41/31/351954131.db2.gz RWHOCNPNNKGSJW-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)C2([NH3+])CC2)CC1 ZINC000083834645 351955085 /nfs/dbraw/zinc/95/50/85/351955085.db2.gz PWMADYRAODBPDF-UHFFFAOYSA-N 2 0 225.336 0.467 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638085536 351962183 /nfs/dbraw/zinc/96/21/83/351962183.db2.gz MGZDSVHGXYTPPQ-ZYHUDNBSSA-N 2 0 237.347 0.492 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000638151110 352011940 /nfs/dbraw/zinc/01/19/40/352011940.db2.gz CZYONORXQUQPHX-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)CCC2C[NH2+]C2)C1 ZINC000638095636 351975568 /nfs/dbraw/zinc/97/55/68/351975568.db2.gz AENKMULSFQOGDL-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)CCC1C[NH2+]C1 ZINC000638097018 351977770 /nfs/dbraw/zinc/97/77/70/351977770.db2.gz QLWCVUGHVNNWKP-UHFFFAOYSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000638098315 351977989 /nfs/dbraw/zinc/97/79/89/351977989.db2.gz BLWDHLXHMICNKB-CMPLNLGQSA-N 2 0 239.363 0.585 20 0 BCADRP CN(C(=O)C1=CC[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000638102218 351983432 /nfs/dbraw/zinc/98/34/32/351983432.db2.gz UCQOPOZCGBAZCS-WCQYABFASA-N 2 0 249.358 0.729 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000638130642 351999130 /nfs/dbraw/zinc/99/91/30/351999130.db2.gz LZAGNIBJLSFUQT-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000638176331 352041952 /nfs/dbraw/zinc/04/19/52/352041952.db2.gz VUWDMKOXNKWWRZ-LLVKDONJSA-N 2 0 221.304 0.070 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638182923 352045836 /nfs/dbraw/zinc/04/58/36/352045836.db2.gz YZKJDIZFTPSSPS-GRYCIOLGSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638182931 352046205 /nfs/dbraw/zinc/04/62/05/352046205.db2.gz YZKJDIZFTPSSPS-WOPDTQHZSA-N 2 0 239.363 0.442 20 0 BCADRP CO[C@](C)(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000638186362 352052623 /nfs/dbraw/zinc/05/26/23/352052623.db2.gz ROHWYWVASVZSBL-GMXVVIOVSA-N 2 0 224.348 0.953 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC000638213149 352075158 /nfs/dbraw/zinc/07/51/58/352075158.db2.gz GAUOTLVBILJOSK-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000638200117 352060885 /nfs/dbraw/zinc/06/08/85/352060885.db2.gz ONZMFAQDVNMUSH-TUAOUCFPSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638199875 352063137 /nfs/dbraw/zinc/06/31/37/352063137.db2.gz GCAZKZQJFCOZAW-FBIMIBRVSA-N 2 0 223.320 0.148 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000638199569 352063439 /nfs/dbraw/zinc/06/34/39/352063439.db2.gz DDBZLTZIFNJQAQ-SDDRHHMPSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)[NH+](C)C ZINC000638203203 352064321 /nfs/dbraw/zinc/06/43/21/352064321.db2.gz SJVXRHAFAQNMIK-OUAUKWLOSA-N 2 0 225.336 0.147 20 0 BCADRP CC1(NC(=O)C2=CC[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC000638203831 352065048 /nfs/dbraw/zinc/06/50/48/352065048.db2.gz HVBBHNIWNWEGIB-JTQLQIEISA-N 2 0 223.320 0.292 20 0 BCADRP CC[C@H]1CN(C(=O)C[C@H](C)[NH3+])CC[C@H]1[NH3+] ZINC000638208272 352070620 /nfs/dbraw/zinc/07/06/20/352070620.db2.gz RSUASJOANFWXAL-LPEHRKFASA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)C[N@H+](C)CC(C)(C)C ZINC000638209772 352072457 /nfs/dbraw/zinc/07/24/57/352072457.db2.gz CCPKLASABXBHOG-SECBINFHSA-N 2 0 215.341 0.428 20 0 BCADRP C[C@H]([NH3+])CC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000638153154 352017443 /nfs/dbraw/zinc/01/74/43/352017443.db2.gz HRFMNGMWOJBGBG-QMMMGPOBSA-N 2 0 234.303 0.403 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000638158805 352022882 /nfs/dbraw/zinc/02/28/82/352022882.db2.gz STRQBHCYPNCXAA-SRVKXCTJSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH3+])CC[N@@H+]1C ZINC000638210505 352073350 /nfs/dbraw/zinc/07/33/50/352073350.db2.gz ICZWSOPVEQWTFP-LPEHRKFASA-N 2 0 213.325 0.180 20 0 BCADRP Cc1nc[nH]c1CC(=O)NCC1([NH3+])CCC1 ZINC000638160340 352025017 /nfs/dbraw/zinc/02/50/17/352025017.db2.gz FNKOHAPMVPXXPQ-UHFFFAOYSA-N 2 0 222.292 0.258 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000638158062 352025660 /nfs/dbraw/zinc/02/56/60/352025660.db2.gz OKEZAPSUGHJCQJ-OPRDCNLKSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](C)C[NH2+]1 ZINC000638160881 352027997 /nfs/dbraw/zinc/02/79/97/352027997.db2.gz ZVEHCJJRTQOPDS-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000638164853 352030125 /nfs/dbraw/zinc/03/01/25/352030125.db2.gz MMVGOKOZRGONTR-UKKRHICBSA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000638165837 352030833 /nfs/dbraw/zinc/03/08/33/352030833.db2.gz SKGLUJCOYBFLBO-LOWDOPEQSA-N 2 0 249.358 0.620 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000638169812 352033834 /nfs/dbraw/zinc/03/38/34/352033834.db2.gz MGCYTACSVYOLOT-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH3+] ZINC000638211307 352076874 /nfs/dbraw/zinc/07/68/74/352076874.db2.gz PRSXNGKMNKLIBK-DTWKUNHWSA-N 2 0 201.314 0.213 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000638218604 352078209 /nfs/dbraw/zinc/07/82/09/352078209.db2.gz DNATUPFCPOTUHP-AAEUAGOBSA-N 2 0 239.363 0.526 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000638218970 352078724 /nfs/dbraw/zinc/07/87/24/352078724.db2.gz FIOAVSNXNWOURI-DGCLKSJQSA-N 2 0 241.379 0.947 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638223726 352083046 /nfs/dbraw/zinc/08/30/46/352083046.db2.gz ZBGFHNSSRICCGY-AXFHLTTASA-N 2 0 241.310 0.192 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000638236606 352087525 /nfs/dbraw/zinc/08/75/25/352087525.db2.gz YZSFLOHXYKVYKW-WPRPVWTQSA-N 2 0 237.303 0.608 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)CCC1C[NH2+]C1 ZINC000638241665 352091579 /nfs/dbraw/zinc/09/15/79/352091579.db2.gz CYBVRTUDNKSHOA-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638246988 352093400 /nfs/dbraw/zinc/09/34/00/352093400.db2.gz VOTHPOGDIFMBRG-ZRUFSTJUSA-N 2 0 225.336 0.084 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000638247898 352093615 /nfs/dbraw/zinc/09/36/15/352093615.db2.gz PVVSZETTYIBQCW-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[NH+](C)C ZINC000638247500 352093747 /nfs/dbraw/zinc/09/37/47/352093747.db2.gz NSXQKHKBHVHXIX-VWYCJHECSA-N 2 0 225.336 0.147 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC(C)(C)CCC[NH3+] ZINC000638252860 352095766 /nfs/dbraw/zinc/09/57/66/352095766.db2.gz WPIVTNAUERKBFK-SECBINFHSA-N 2 0 215.341 0.618 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638252727 352095946 /nfs/dbraw/zinc/09/59/46/352095946.db2.gz VLFSEKXKSLAQDV-WCBMZHEXSA-N 2 0 211.309 0.278 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638253517 352096534 /nfs/dbraw/zinc/09/65/34/352096534.db2.gz AEVCVTQSBFHHNA-UTLUCORTSA-N 2 0 213.325 0.323 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH3+])C2)CC[N@@H+]1C ZINC000638256575 352099973 /nfs/dbraw/zinc/09/99/73/352099973.db2.gz UKONBTSCHMUWOV-MMVSWEMESA-N 2 0 239.363 0.665 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000638304507 352135557 /nfs/dbraw/zinc/13/55/57/352135557.db2.gz QNAKJSGSCCVJMO-SNVBAGLBSA-N 2 0 227.352 0.537 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CC[NH3+])C(F)F)C1 ZINC000638259754 352102844 /nfs/dbraw/zinc/10/28/44/352102844.db2.gz SOEHFDSMMZNANM-BDAKNGLRSA-N 2 0 249.305 0.427 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638260860 352103756 /nfs/dbraw/zinc/10/37/56/352103756.db2.gz BVZPHBDGUBYVFQ-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H](C(=O)N[C@H]1CC[NH2+]C1(C)C)[NH+](C)C ZINC000638268279 352107900 /nfs/dbraw/zinc/10/79/00/352107900.db2.gz XRHPVUHNPZKFGN-UWVGGRQHSA-N 2 0 227.352 0.583 20 0 BCADRP C[C@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000638268960 352108009 /nfs/dbraw/zinc/10/80/09/352108009.db2.gz ZKEVJNYFWZWORJ-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@H](C(=O)N(C)[C@H](C[NH3+])C1CC1)[NH+](C)C ZINC000638331402 352153002 /nfs/dbraw/zinc/15/30/02/352153002.db2.gz HQTLMDYJWWTEKK-GHMZBOCLSA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@@H](C(=O)N(C)[C@@H](C[NH3+])C1CC1)[NH+](C)C ZINC000638331405 352153086 /nfs/dbraw/zinc/15/30/86/352153086.db2.gz HQTLMDYJWWTEKK-QWRGUYRKSA-N 2 0 227.352 0.522 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000638332020 352153767 /nfs/dbraw/zinc/15/37/67/352153767.db2.gz CMOXIEPLHUFDHJ-IUCAKERBSA-N 2 0 215.341 0.474 20 0 BCADRP C[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)C[C@@]1(C)C[NH3+] ZINC000638336787 352155361 /nfs/dbraw/zinc/15/53/61/352155361.db2.gz IJTWZSYKGABZJX-SUZMYJTESA-N 2 0 237.347 0.477 20 0 BCADRP C[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[NH+](C)C ZINC000638337361 352155994 /nfs/dbraw/zinc/15/59/94/352155994.db2.gz RWGPNUWGUKQFBU-CKYFFXLPSA-N 2 0 227.352 0.380 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H](C)[NH+](C)C ZINC000638342791 352161712 /nfs/dbraw/zinc/16/17/12/352161712.db2.gz HADQTHDHUXBXMI-SECBINFHSA-N 2 0 201.314 0.004 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000638344207 352162870 /nfs/dbraw/zinc/16/28/70/352162870.db2.gz WRYJYXYHUIUYLH-LPEHRKFASA-N 2 0 213.325 0.167 20 0 BCADRP C[C@@H]1CCN(C(=O)CCC2C[NH2+]C2)C[C@@H]1C[NH3+] ZINC000638346233 352164961 /nfs/dbraw/zinc/16/49/61/352164961.db2.gz ZYAMBQLPLUZFGL-PWSUYJOCSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@H](C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)[NH+](C)C ZINC000638358174 352170274 /nfs/dbraw/zinc/17/02/74/352170274.db2.gz UAMVKOCFLNOKHX-KXNHARMFSA-N 2 0 241.379 0.768 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H](C)[NH+](C)C ZINC000638368680 352178172 /nfs/dbraw/zinc/17/81/72/352178172.db2.gz LTYQJGBBLMGFJW-HRDYMLBCSA-N 2 0 201.314 0.179 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000638367865 352178906 /nfs/dbraw/zinc/17/89/06/352178906.db2.gz ZAQSOCMEGLQQAG-UWVGGRQHSA-N 2 0 225.336 0.515 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[C@H](C)[NH3+])CC[N@@H+]1C ZINC000638370393 352180063 /nfs/dbraw/zinc/18/00/63/352180063.db2.gz LYDQJCGFYGEURN-WHOHXGKFSA-N 2 0 241.379 0.959 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000638370392 352180270 /nfs/dbraw/zinc/18/02/70/352180270.db2.gz LYDQJCGFYGEURN-NOOOWODRSA-N 2 0 241.379 0.959 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H](C)[NH2+]CC ZINC000638375571 352185294 /nfs/dbraw/zinc/18/52/94/352185294.db2.gz CELGQHJBRYCIOG-LLVKDONJSA-N 2 0 229.368 0.785 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]C1CC1 ZINC000638374929 352187141 /nfs/dbraw/zinc/18/71/41/352187141.db2.gz RPXRAFRUCCHRHM-LBPRGKRZSA-N 2 0 239.363 0.729 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000638374561 352187209 /nfs/dbraw/zinc/18/72/09/352187209.db2.gz NWXUWSBDHAPZJF-JTQLQIEISA-N 2 0 235.331 0.760 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000638377436 352188462 /nfs/dbraw/zinc/18/84/62/352188462.db2.gz UJEMOSJBAAXCJM-NEPJUHHUSA-N 2 0 249.358 0.825 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000638390315 352199279 /nfs/dbraw/zinc/19/92/79/352199279.db2.gz KLLKHSQVOZFDHO-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@]2(OC)CCOC2)C1 ZINC000638381361 352193136 /nfs/dbraw/zinc/19/31/36/352193136.db2.gz KWPVDBAMIUAMSU-QWHCGFSZSA-N 2 0 242.363 0.723 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000638327114 352146925 /nfs/dbraw/zinc/14/69/25/352146925.db2.gz SJPFWVKYDWMHIG-ONGXEEELSA-N 2 0 227.352 0.618 20 0 BCADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H](C[NH3+])C1CC1 ZINC000638329245 352149218 /nfs/dbraw/zinc/14/92/18/352149218.db2.gz PZZXKQWAGMXWHG-RYUDHWBXSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638429246 352236896 /nfs/dbraw/zinc/23/68/96/352236896.db2.gz FIMWKRYTFHBIOQ-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638429889 352237769 /nfs/dbraw/zinc/23/77/69/352237769.db2.gz JDTMKQUADUIKAQ-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000638433158 352242350 /nfs/dbraw/zinc/24/23/50/352242350.db2.gz QPXANQGCCZRCDA-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)c1oc(C[NH3+])cc1C ZINC000638433500 352242396 /nfs/dbraw/zinc/24/23/96/352242396.db2.gz VWNZPTCYGWNVRV-QMMMGPOBSA-N 2 0 225.292 0.384 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C[C@H](C)[NH3+] ZINC000638428368 352239731 /nfs/dbraw/zinc/23/97/31/352239731.db2.gz UASMDKMKEJJEKO-DTWKUNHWSA-N 2 0 201.314 0.213 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000638393327 352200155 /nfs/dbraw/zinc/20/01/55/352200155.db2.gz DTNXJJYREFSTNA-GFCCVEGCSA-N 2 0 237.347 0.540 20 0 BCADRP [NH3+]CCC1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638394265 352200559 /nfs/dbraw/zinc/20/05/59/352200559.db2.gz ZSSMSXVGZBBPLF-LBPRGKRZSA-N 2 0 237.347 0.621 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H]([NH3+])C[C@H]1C)[NH+](C)C ZINC000638397477 352201482 /nfs/dbraw/zinc/20/14/82/352201482.db2.gz PLMTZOVRKSIWAS-OPRDCNLKSA-N 2 0 213.325 0.275 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000638408929 352219062 /nfs/dbraw/zinc/21/90/62/352219062.db2.gz LXMOFZPPZCXKCE-ZJUUUORDSA-N 2 0 215.341 0.441 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)c1oc(C[NH3+])cc1C ZINC000638433499 352242510 /nfs/dbraw/zinc/24/25/10/352242510.db2.gz VWNZPTCYGWNVRV-MRVPVSSYSA-N 2 0 225.292 0.384 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638424328 352232073 /nfs/dbraw/zinc/23/20/73/352232073.db2.gz HRWBPTMFVWFOHA-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627035808 363140902 /nfs/dbraw/zinc/14/09/02/363140902.db2.gz LLKNDBITDJZMFF-DCAQKATOSA-N 2 0 242.367 0.376 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627035817 363141011 /nfs/dbraw/zinc/14/10/11/363141011.db2.gz LLKNDBITDJZMFF-VWYCJHECSA-N 2 0 242.367 0.376 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627035815 363141094 /nfs/dbraw/zinc/14/10/94/363141094.db2.gz LLKNDBITDJZMFF-OUAUKWLOSA-N 2 0 242.367 0.376 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)NC2CC[NH2+]CC2)C[NH2+]1 ZINC000627062105 363177211 /nfs/dbraw/zinc/17/72/11/363177211.db2.gz XWGKCXBRSCYEGY-GXSJLCMTSA-N 2 0 240.351 0.178 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)NC2CC[NH2+]CC2)C[NH2+]1 ZINC000627062107 363177251 /nfs/dbraw/zinc/17/72/51/363177251.db2.gz XWGKCXBRSCYEGY-MWLCHTKSSA-N 2 0 240.351 0.178 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627064006 363179495 /nfs/dbraw/zinc/17/94/95/363179495.db2.gz NUCRTYOVOVJOEV-MNOVXSKESA-N 2 0 242.367 0.426 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627063733 363179574 /nfs/dbraw/zinc/17/95/74/363179574.db2.gz KUGJGHQSXIZEAJ-VHSXEESVSA-N 2 0 228.340 0.036 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000638484167 352294241 /nfs/dbraw/zinc/29/42/41/352294241.db2.gz OSWAYWIYOZTVHU-VXGBXAGGSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C[C@H](C)[NH3+] ZINC000638485143 352295060 /nfs/dbraw/zinc/29/50/60/352295060.db2.gz XJMTXQXFHJEFRT-UWVGGRQHSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000638487624 352296349 /nfs/dbraw/zinc/29/63/49/352296349.db2.gz CEEJVKHXVDHLJP-BDAKNGLRSA-N 2 0 249.305 0.425 20 0 BCADRP CCN(CC[NH3+])C(=O)NCCC[NH2+]C1CC1 ZINC000627062822 363181301 /nfs/dbraw/zinc/18/13/01/363181301.db2.gz BXUHQKWQQGDFJT-UHFFFAOYSA-N 2 0 228.340 0.119 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627063054 363181390 /nfs/dbraw/zinc/18/13/90/363181390.db2.gz DWSGNJGGNFZUIM-WDEREUQCSA-N 2 0 242.367 0.426 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000638489779 352301363 /nfs/dbraw/zinc/30/13/63/352301363.db2.gz QDYZNSVYCNWYMO-DCAQKATOSA-N 2 0 227.352 0.426 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638492149 352304574 /nfs/dbraw/zinc/30/45/74/352304574.db2.gz MMDNFCTZZQDKHG-NSHDSACASA-N 2 0 227.352 0.441 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000638522699 352356607 /nfs/dbraw/zinc/35/66/07/352356607.db2.gz OTOHAPHDYCHQPK-CYBMUJFWSA-N 2 0 247.342 0.681 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638509088 352332014 /nfs/dbraw/zinc/33/20/14/352332014.db2.gz RABGRABIEMWJDL-JGVFFNPUSA-N 2 0 247.289 0.370 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638510704 352334990 /nfs/dbraw/zinc/33/49/90/352334990.db2.gz XSSNUKJKFNDCMC-QWRGUYRKSA-N 2 0 239.363 0.775 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000638522441 352355406 /nfs/dbraw/zinc/35/54/06/352355406.db2.gz GYFDBJULCMIGTJ-LBPRGKRZSA-N 2 0 235.331 0.364 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638511121 352335626 /nfs/dbraw/zinc/33/56/26/352335626.db2.gz ZOJDKZWMPMWJIG-ZJUUUORDSA-N 2 0 237.347 0.385 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638513604 352338932 /nfs/dbraw/zinc/33/89/32/352338932.db2.gz NQVDGRNZGKZJAZ-ZJUUUORDSA-N 2 0 225.336 0.385 20 0 BCADRP CCN(CC[NH3+])C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638513646 352338945 /nfs/dbraw/zinc/33/89/45/352338945.db2.gz UJJNZRHOFUKWRK-SNVBAGLBSA-N 2 0 213.325 0.135 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000638522308 352355676 /nfs/dbraw/zinc/35/56/76/352355676.db2.gz DNYLNKCJQKWRJI-ZDUSSCGKSA-N 2 0 247.342 0.508 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000638516029 352342896 /nfs/dbraw/zinc/34/28/96/352342896.db2.gz KMAFYONUYPUITC-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(CC)CC[NH3+] ZINC000638517365 352348167 /nfs/dbraw/zinc/34/81/67/352348167.db2.gz SNCKBYIJHPSMFL-IUCAKERBSA-N 2 0 201.314 0.167 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N(CC)CC[NH3+] ZINC000638517364 352348327 /nfs/dbraw/zinc/34/83/27/352348327.db2.gz SNCKBYIJHPSMFL-BDAKNGLRSA-N 2 0 201.314 0.167 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(CC)CC[NH3+] ZINC000638517711 352348709 /nfs/dbraw/zinc/34/87/09/352348709.db2.gz ZQDYOJLISUFUFK-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP CCN(CC[NH3+])C(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000638522500 352356484 /nfs/dbraw/zinc/35/64/84/352356484.db2.gz INLZRGJPYYBTHA-NEPJUHHUSA-N 2 0 241.379 0.819 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000638528750 352361565 /nfs/dbraw/zinc/36/15/65/352361565.db2.gz RBJLPBKSBUXXMJ-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000638572232 352400479 /nfs/dbraw/zinc/40/04/79/352400479.db2.gz ZFLCXZQJSJSUOB-NWDGAFQWSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000638572700 352401339 /nfs/dbraw/zinc/40/13/39/352401339.db2.gz VCLZICVCEJMRPV-KQXIARHKSA-N 2 0 237.347 0.243 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1CC[NH2+]CC1 ZINC000638566804 352393408 /nfs/dbraw/zinc/39/34/08/352393408.db2.gz CYORRGUZFTZNDM-WDEREUQCSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CC(C)(C)[NH3+] ZINC000638566810 352393437 /nfs/dbraw/zinc/39/34/37/352393437.db2.gz DFMDXQYITQWGSD-DTWKUNHWSA-N 2 0 213.325 0.371 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000638571892 352399186 /nfs/dbraw/zinc/39/91/86/352399186.db2.gz BCONDQGJRMLXJN-VPOLOUISSA-N 2 0 225.336 0.241 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638522825 352357111 /nfs/dbraw/zinc/35/71/11/352357111.db2.gz RLWMVCSDUBEEID-NXEZZACHSA-N 2 0 213.325 0.311 20 0 BCADRP CCN(CC[NH3+])C(=O)CCC(C)(C)[NH3+] ZINC000638522908 352357159 /nfs/dbraw/zinc/35/71/59/352357159.db2.gz UBMQMSDJHLJSTA-UHFFFAOYSA-N 2 0 201.314 0.311 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)CCOCC[NH2+]C ZINC000638586132 352416084 /nfs/dbraw/zinc/41/60/84/352416084.db2.gz IGGRNUCCOXWQEP-MNOVXSKESA-N 2 0 245.367 0.054 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N(C)CCOCC[NH2+]C ZINC000638586301 352416556 /nfs/dbraw/zinc/41/65/56/352416556.db2.gz OVISYKQOHMFBLB-LBPRGKRZSA-N 2 0 245.367 0.198 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638575313 352402179 /nfs/dbraw/zinc/40/21/79/352402179.db2.gz GBQGWMBLIUJZSY-GARJFASQSA-N 2 0 223.320 0.291 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CC[NH2+][C@H]1CC)[NH+](C)C ZINC000638575479 352402413 /nfs/dbraw/zinc/40/24/13/352402413.db2.gz ICKUXQQPMPJIIH-HBNTYKKESA-N 2 0 227.352 0.583 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000638573833 352403748 /nfs/dbraw/zinc/40/37/48/352403748.db2.gz JJQYTLQBLXZZMS-SDDRHHMPSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])C1CCC1 ZINC000638574020 352403821 /nfs/dbraw/zinc/40/38/21/352403821.db2.gz MMHSYDYQDNKPLZ-HBNTYKKESA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[C@H](C)[NH3+] ZINC000638651031 352492754 /nfs/dbraw/zinc/49/27/54/352492754.db2.gz MZHUQQWZQSOTJF-NOOOWODRSA-N 2 0 241.379 0.863 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)CC2([NH3+])CC2)C[NH2+]1 ZINC000638638676 352480971 /nfs/dbraw/zinc/48/09/71/352480971.db2.gz FPGNDMHXFCSBPA-DTWKUNHWSA-N 2 0 211.309 0.125 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)[NH+](C)C ZINC000638639839 352481788 /nfs/dbraw/zinc/48/17/88/352481788.db2.gz NTSQFXLXRLEJMS-GARJFASQSA-N 2 0 227.352 0.583 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)c2ccnc(C[NH3+])c2)C[NH2+]1 ZINC000638640757 352482606 /nfs/dbraw/zinc/48/26/06/352482606.db2.gz BTNDHNCKKILYCF-MWLCHTKSSA-N 2 0 248.330 0.411 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)CCC2C[NH2+]C2)C[NH2+]1 ZINC000638640240 352484274 /nfs/dbraw/zinc/48/42/74/352484274.db2.gz QKGXKCREAUUOJL-KOLCDFICSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)C[NH2+]1 ZINC000638642759 352484556 /nfs/dbraw/zinc/48/45/56/352484556.db2.gz JSXPRVDVDHHMRZ-SCVCMEIPSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)CC[C@H]2CC[NH2+]C2)C[NH2+]1 ZINC000638641601 352484767 /nfs/dbraw/zinc/48/47/67/352484767.db2.gz FRNWDTGULQPGGU-WOPDTQHZSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)c2c[nH+]ccc2N)C[NH2+]1 ZINC000638642035 352485475 /nfs/dbraw/zinc/48/54/75/352485475.db2.gz HHUMARGIHYHECN-IUCAKERBSA-N 2 0 234.303 0.364 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@H]([NH3+])CC(F)F)C[NH2+]1 ZINC000638643627 352486303 /nfs/dbraw/zinc/48/63/03/352486303.db2.gz MQDAEZCKOBFLEO-GJMOJQLCSA-N 2 0 235.278 0.226 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638645376 352487273 /nfs/dbraw/zinc/48/72/73/352487273.db2.gz VJQPMHNQCBDBCX-GUBZILKMSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)C2CC[NH2+]CC2)C[NH2+]1 ZINC000638652803 352493814 /nfs/dbraw/zinc/49/38/14/352493814.db2.gz AEDTUZLYDOTULZ-KOLCDFICSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)C2([NH3+])CCC2)C[NH2+]1 ZINC000638646045 352489959 /nfs/dbraw/zinc/48/99/59/352489959.db2.gz XLLXBDHLXYMZLN-BDAKNGLRSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C[NH2+]1 ZINC000638650311 352493844 /nfs/dbraw/zinc/49/38/44/352493844.db2.gz KYOLZLGKEUCIOK-YTWAJWBKSA-N 2 0 225.336 0.371 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638654111 352496864 /nfs/dbraw/zinc/49/68/64/352496864.db2.gz JBQDOBFQRNKPNJ-AEJSXWLSSA-N 2 0 213.325 0.099 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638654522 352497446 /nfs/dbraw/zinc/49/74/46/352497446.db2.gz LSURCFHPPUJRCL-GUBZILKMSA-N 2 0 213.325 0.226 20 0 BCADRP CC(C)[C@@H](C(=O)NCCOCCC[NH3+])[C@H](C)[NH3+] ZINC000638662320 352505276 /nfs/dbraw/zinc/50/52/76/352505276.db2.gz SPTXQBSLSOIUEI-WDEREUQCSA-N 2 0 245.367 0.087 20 0 BCADRP CC(C)[C@H](C(=O)N(C)CCOCC[NH3+])[C@H](C)[NH3+] ZINC000638672068 352513786 /nfs/dbraw/zinc/51/37/86/352513786.db2.gz CCMLAKORKSZIPP-QWRGUYRKSA-N 2 0 245.367 0.040 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NC/C=C/C[NH3+] ZINC000638690923 352528360 /nfs/dbraw/zinc/52/83/60/352528360.db2.gz WELRWAJIRDTBGN-YEZKRMTDSA-N 2 0 228.340 0.318 20 0 BCADRP CC(C)C[C@@H](CNC(=O)C[C@H](C)[NH3+])[NH+](C)C ZINC000040831335 187742482 /nfs/dbraw/zinc/74/24/82/187742482.db2.gz BKVNOBQHCPRTRO-QWRGUYRKSA-N 2 0 229.368 0.816 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCCO1 ZINC000042308782 352618207 /nfs/dbraw/zinc/61/82/07/352618207.db2.gz GZQDDGKWJBXZGQ-ZDUSSCGKSA-N 2 0 241.379 0.393 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000638730347 352593152 /nfs/dbraw/zinc/59/31/52/352593152.db2.gz VOXBXTADWROICB-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP CN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1CC[NH+](C)CC1 ZINC000040458338 352598048 /nfs/dbraw/zinc/59/80/48/352598048.db2.gz JSUKNQZWJWPIKN-LLVKDONJSA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)([NH3+])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000040922334 352600413 /nfs/dbraw/zinc/60/04/13/352600413.db2.gz CTDOAYNLAOUGGJ-UHFFFAOYSA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000040768184 352603559 /nfs/dbraw/zinc/60/35/59/352603559.db2.gz LPZLCYANJRIJMO-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000300360130 352560179 /nfs/dbraw/zinc/56/01/79/352560179.db2.gz UFPKXUKDCPAQTK-JQWIXIFHSA-N 2 0 225.336 0.339 20 0 BCADRP C[N@H+](CCCn1ccnc1)CCOCC[NH3+] ZINC000301013582 352583894 /nfs/dbraw/zinc/58/38/94/352583894.db2.gz HDNQMYYJANBPSO-UHFFFAOYSA-N 2 0 226.324 0.180 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000044804910 352657103 /nfs/dbraw/zinc/65/71/03/352657103.db2.gz DPDALRJPRMYHQI-JTQLQIEISA-N 2 0 225.336 0.135 20 0 BCADRP CC(C)C[N@@H+](CC(N)=O)CC1CC[NH2+]CC1 ZINC000043497722 352637647 /nfs/dbraw/zinc/63/76/47/352637647.db2.gz RLAGHRRTTQJHIR-UHFFFAOYSA-N 2 0 227.352 0.429 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000638767204 352706763 /nfs/dbraw/zinc/70/67/63/352706763.db2.gz ATIFCNLKCQIFOV-SBFPOUOMSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000638767216 352706913 /nfs/dbraw/zinc/70/69/13/352706913.db2.gz BCZUNGKXOBNXOL-DJLDLDEBSA-N 2 0 247.289 0.098 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000638767773 352708365 /nfs/dbraw/zinc/70/83/65/352708365.db2.gz KDZPDHNEZFEYHA-MVWJERBFSA-N 2 0 233.315 0.553 20 0 BCADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCOC2)CC1 ZINC000638773624 352713201 /nfs/dbraw/zinc/71/32/01/352713201.db2.gz NVIMLESOYOMDFZ-LBPRGKRZSA-N 2 0 242.363 0.600 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638773473 352714738 /nfs/dbraw/zinc/71/47/38/352714738.db2.gz MBHGWBBIZQWDNX-IQJOONFLSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000638774848 352716947 /nfs/dbraw/zinc/71/69/47/352716947.db2.gz VUINRFZAOAOBBP-AEJSXWLSSA-N 2 0 225.336 0.241 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638775319 352722240 /nfs/dbraw/zinc/72/22/40/352722240.db2.gz BQZNLZWULJLILG-FIQHERPVSA-N 2 0 239.363 0.726 20 0 BCADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)N[C@@H]1CC[NH2+]C1 ZINC000638792178 352753812 /nfs/dbraw/zinc/75/38/12/352753812.db2.gz BDFYXSCIKLFZSM-DGCLKSJQSA-N 2 0 245.326 0.699 20 0 BCADRP CC(C)[C@H](C(=O)N1CC([NH+](C)C)C1)[NH+](C)C ZINC000345301340 538105987 /nfs/dbraw/zinc/10/59/87/538105987.db2.gz MVZVXCSPFMUGOR-LLVKDONJSA-N 2 0 227.352 0.345 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638805034 352979519 /nfs/dbraw/zinc/97/95/19/352979519.db2.gz HTZUCOXCMCVJRP-VIFPVBQESA-N 2 0 249.314 0.466 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627070952 363200372 /nfs/dbraw/zinc/20/03/72/363200372.db2.gz IBHFMAMBDIOROL-SNVBAGLBSA-N 2 0 228.340 0.036 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000638802883 352954137 /nfs/dbraw/zinc/95/41/37/352954137.db2.gz ZMWPRGSHIKGNAY-CKYFFXLPSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000627069488 363200903 /nfs/dbraw/zinc/20/09/03/363200903.db2.gz OSHCDIMMXZVOMG-GARJFASQSA-N 2 0 240.351 0.036 20 0 BCADRP [NH3+]C1(C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000638841693 353018054 /nfs/dbraw/zinc/01/80/54/353018054.db2.gz XFJKTPRLGHNMMR-UHFFFAOYSA-N 2 0 245.326 0.440 20 0 BCADRP CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC000638854514 353026453 /nfs/dbraw/zinc/02/64/53/353026453.db2.gz QCNOZPZAUZXPDE-XQHKEYJVSA-N 2 0 249.358 0.004 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638815066 352995494 /nfs/dbraw/zinc/99/54/94/352995494.db2.gz KZMLFFPVOHSEEC-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000638815298 352996374 /nfs/dbraw/zinc/99/63/74/352996374.db2.gz LOEVNIJPZOGXSL-JTQLQIEISA-N 2 0 225.336 0.598 20 0 BCADRP CO[C@H](C[NH3+])CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638819586 352999381 /nfs/dbraw/zinc/99/93/81/352999381.db2.gz KUSACYKSRZWHET-QWRGUYRKSA-N 2 0 243.351 0.080 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000638821777 353002786 /nfs/dbraw/zinc/00/27/86/353002786.db2.gz AJRNLYPVBGCHTK-NSHDSACASA-N 2 0 239.363 0.988 20 0 BCADRP C[NH2+]CCCC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638822116 353002945 /nfs/dbraw/zinc/00/29/45/353002945.db2.gz GLDCVVROSPSTCX-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638822153 353003650 /nfs/dbraw/zinc/00/36/50/353003650.db2.gz HCBROCPHQXRFHO-SECBINFHSA-N 2 0 213.325 0.454 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638823453 353004423 /nfs/dbraw/zinc/00/44/23/353004423.db2.gz RRMOCINLBFOWJP-NXEZZACHSA-N 2 0 213.325 0.454 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000638823507 353005090 /nfs/dbraw/zinc/00/50/90/353005090.db2.gz UFOBBIKOSGQLFZ-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP CC1([NH+]2CCCC2)CCN(C(=O)CC[NH3+])CC1 ZINC000638859611 353036106 /nfs/dbraw/zinc/03/61/06/353036106.db2.gz PUQPBKURHIYTIX-UHFFFAOYSA-N 2 0 239.363 0.812 20 0 BCADRP CC(C)([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062972887 535196160 /nfs/dbraw/zinc/19/61/60/535196160.db2.gz XWXYKAJSBLXDIV-JTQLQIEISA-N 2 0 225.336 0.420 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915914 353071272 /nfs/dbraw/zinc/07/12/72/353071272.db2.gz PQITVTUISXMYAC-GARJFASQSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000638915455 353074078 /nfs/dbraw/zinc/07/40/78/353074078.db2.gz QUUXFEZRRGAAGP-XDTLVQLUSA-N 2 0 245.326 0.893 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638873807 353043793 /nfs/dbraw/zinc/04/37/93/353043793.db2.gz LSUYVDVFBDAWEQ-OLZOCXBDSA-N 2 0 249.358 0.800 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638874873 353044976 /nfs/dbraw/zinc/04/49/76/353044976.db2.gz XRVJJXRQKFPIDT-YPMHNXCESA-N 2 0 249.358 0.800 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638874853 353045073 /nfs/dbraw/zinc/04/50/73/353045073.db2.gz XRVJJXRQKFPIDT-AAEUAGOBSA-N 2 0 249.358 0.800 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638881042 353048737 /nfs/dbraw/zinc/04/87/37/353048737.db2.gz MVNHDHMHHCGFNQ-WCQYABFASA-N 2 0 249.358 0.671 20 0 BCADRP C[C@@H]1CN(C(=O)C2(C[NH3+])CCCC2)C[C@H]1C[NH3+] ZINC000638883996 353050960 /nfs/dbraw/zinc/05/09/60/353050960.db2.gz DKRDUTJLQJIIHB-GHMZBOCLSA-N 2 0 239.363 0.559 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000638937291 353110270 /nfs/dbraw/zinc/11/02/70/353110270.db2.gz SUZAGSRDIHHYNL-KXUCPTDWSA-N 2 0 243.376 0.030 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000638937293 353110520 /nfs/dbraw/zinc/11/05/20/353110520.db2.gz SUZAGSRDIHHYNL-UTLUCORTSA-N 2 0 243.376 0.030 20 0 BCADRP O=C(c1cccc2c1C[NH2+]C2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916902 353080474 /nfs/dbraw/zinc/08/04/74/353080474.db2.gz GVXMWAYQLCLCSZ-QWRGUYRKSA-N 2 0 243.310 0.476 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917026 353080696 /nfs/dbraw/zinc/08/06/96/353080696.db2.gz JZPYKGYWANZACZ-SRVKXCTJSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000261573380 535198338 /nfs/dbraw/zinc/19/83/38/535198338.db2.gz ITEQIEQPVMHNSS-VIFPVBQESA-N 2 0 213.325 0.311 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000638926140 353086583 /nfs/dbraw/zinc/08/65/83/353086583.db2.gz VRXAPJKISNJXGN-FIQHERPVSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]C1 ZINC000638926160 353086624 /nfs/dbraw/zinc/08/66/24/353086624.db2.gz WCPXEXQOEAQEMC-NTZNESFSSA-N 2 0 237.347 0.339 20 0 BCADRP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926544 353087293 /nfs/dbraw/zinc/08/72/93/353087293.db2.gz ISKLPLHLZRAHOZ-XQHKEYJVSA-N 2 0 249.358 0.480 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000638930215 353091002 /nfs/dbraw/zinc/09/10/02/353091002.db2.gz FWSCBODIHZTDHB-CHWFTXMASA-N 2 0 225.336 0.323 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638930899 353091987 /nfs/dbraw/zinc/09/19/87/353091987.db2.gz UDZURRZOVMMYRU-SDDRHHMPSA-N 2 0 237.347 0.434 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000638933377 353095682 /nfs/dbraw/zinc/09/56/82/353095682.db2.gz BSOZZXFQZMZNIW-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638928506 353097987 /nfs/dbraw/zinc/09/79/87/353097987.db2.gz AGHUKFPTLGUBKZ-SRVKXCTJSA-N 2 0 241.379 0.946 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638934485 353098118 /nfs/dbraw/zinc/09/81/18/353098118.db2.gz IKKFLOAIISIXFJ-UWVGGRQHSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CC[NH2+]C1CC1 ZINC000638928896 353098946 /nfs/dbraw/zinc/09/89/46/353098946.db2.gz CIEZJBPKALECHE-BDAKNGLRSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638929345 353099298 /nfs/dbraw/zinc/09/92/98/353099298.db2.gz FXPGCWXYYZJEBP-OUAUKWLOSA-N 2 0 225.336 0.276 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](C)[NH3+] ZINC000638941787 353133701 /nfs/dbraw/zinc/13/37/01/353133701.db2.gz VKEILFCJGUAMRU-WYUUTHIRSA-N 2 0 239.363 0.569 20 0 BCADRP C[C@@]1(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC[NH2+]C1 ZINC000638943403 353142057 /nfs/dbraw/zinc/14/20/57/353142057.db2.gz SMSAFVDPIGVSQS-NQBHXWOUSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000638942110 353134964 /nfs/dbraw/zinc/13/49/64/353134964.db2.gz DEINMTAXQPJVMG-DCAQKATOSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1C ZINC000638938661 353119979 /nfs/dbraw/zinc/11/99/79/353119979.db2.gz KMTXNBBJDFERAG-WISYIIOYSA-N 2 0 237.347 0.289 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000357412281 188065854 /nfs/dbraw/zinc/06/58/54/188065854.db2.gz KUMCHVKIFFQNRC-RYUDHWBXSA-N 2 0 241.379 0.926 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000357081437 188066575 /nfs/dbraw/zinc/06/65/75/188066575.db2.gz GWHNSGZFPYLPKB-NEPJUHHUSA-N 2 0 228.336 0.463 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000638947013 353150108 /nfs/dbraw/zinc/15/01/08/353150108.db2.gz RDSCAWOXIWWDPU-JOYOIKCWSA-N 2 0 233.315 0.707 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000368009647 188072302 /nfs/dbraw/zinc/07/23/02/188072302.db2.gz XUICQUKRXVLETN-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000638951161 353153748 /nfs/dbraw/zinc/15/37/48/353153748.db2.gz YGXSBMFZDOKDAF-SGXNHWHWSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638966560 353175194 /nfs/dbraw/zinc/17/51/94/353175194.db2.gz DHMHEVFKXBHTHN-VLEAKVRGSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)[NH+]1CCC([NH2+][C@H](C)CO)CC1 ZINC000035603673 188111597 /nfs/dbraw/zinc/11/15/97/188111597.db2.gz QEAWGLGDMFWZDK-SNVBAGLBSA-N 2 0 200.326 0.830 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508155 188118609 /nfs/dbraw/zinc/11/86/09/188118609.db2.gz JILMNUQBSJSZSC-LLVKDONJSA-N 2 0 225.336 0.291 20 0 BCADRP CCC1([NH+](C)C)CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000638980439 353187243 /nfs/dbraw/zinc/18/72/43/353187243.db2.gz MLDSLTBURLTROE-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)[C@@H](C)C[NH3+])CC1 ZINC000054339659 188127202 /nfs/dbraw/zinc/12/72/02/188127202.db2.gz OWSUYZXOONFUOA-JTQLQIEISA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH3+] ZINC000309018714 188166152 /nfs/dbraw/zinc/16/61/52/188166152.db2.gz VRXBGXWTLGDBEB-RKDXNWHRSA-N 2 0 201.314 0.071 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1C ZINC000309429151 188168134 /nfs/dbraw/zinc/16/81/34/188168134.db2.gz YXPYYGHULUZARI-UWVGGRQHSA-N 2 0 213.325 0.038 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000309802449 188169208 /nfs/dbraw/zinc/16/92/08/188169208.db2.gz RLSGNPLHOVOIOA-VIFPVBQESA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000236789122 188148518 /nfs/dbraw/zinc/14/85/18/188148518.db2.gz WGDRWWUYLKZHQC-SCVCMEIPSA-N 2 0 239.363 0.711 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH3+] ZINC000236649129 188148957 /nfs/dbraw/zinc/14/89/57/188148957.db2.gz FKOSJRFNOXSUKC-VIFPVBQESA-N 2 0 201.314 0.038 20 0 BCADRP CC(C)([NH3+])CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000263321047 188193373 /nfs/dbraw/zinc/19/33/73/188193373.db2.gz IYLXSNFDLBGBRG-NSHDSACASA-N 2 0 235.331 0.930 20 0 BCADRP CC(=O)NCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366559577 188193833 /nfs/dbraw/zinc/19/38/33/188193833.db2.gz RDRIWLDBVLXYCJ-ZDUSSCGKSA-N 2 0 239.363 0.540 20 0 BCADRP CC(C)C[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298584 353247501 /nfs/dbraw/zinc/24/75/01/353247501.db2.gz AIQDADLLXBLPNT-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP CC[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298715 353247595 /nfs/dbraw/zinc/24/75/95/353247595.db2.gz IPDYQNZNFPOWPA-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP [NH3+]CC1(NC(=O)CCC2C[NH2+]C2)CCCCC1 ZINC000638998135 353241014 /nfs/dbraw/zinc/24/10/14/353241014.db2.gz FGBGLEGQUGMXDE-UHFFFAOYSA-N 2 0 239.363 0.764 20 0 BCADRP [NH3+]CC1(NC(=O)C[C@H]2CC[NH2+]C2)CCCCC1 ZINC000638996886 353242576 /nfs/dbraw/zinc/24/25/76/353242576.db2.gz OYHRLFZVFXQDOQ-LLVKDONJSA-N 2 0 239.363 0.764 20 0 BCADRP C[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)[C@@H](C)C[NH2+]1 ZINC000237644427 188190444 /nfs/dbraw/zinc/19/04/44/188190444.db2.gz DHBJFVHWNDGJEA-QWRGUYRKSA-N 2 0 247.342 0.968 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC1(C[NH3+])CCCCC1 ZINC000638996969 353243232 /nfs/dbraw/zinc/24/32/32/353243232.db2.gz SFYWVSHAFKWXAY-UWVGGRQHSA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044752133 188217068 /nfs/dbraw/zinc/21/70/68/188217068.db2.gz DGXKQWNVBIFJGM-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000639019479 353275964 /nfs/dbraw/zinc/27/59/64/353275964.db2.gz AZVIYNUVOGSASP-WYUUTHIRSA-N 2 0 237.347 0.324 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000639022177 353277203 /nfs/dbraw/zinc/27/72/03/353277203.db2.gz YMIXMMRHYCKOTL-PWSUYJOCSA-N 2 0 247.342 0.888 20 0 BCADRP O=C([C@H]1CCC[NH2+]1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639026360 353278547 /nfs/dbraw/zinc/27/85/47/353278547.db2.gz DSFFKAKARBQOJP-UTUOFQBUSA-N 2 0 237.347 0.339 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000250344586 353269708 /nfs/dbraw/zinc/26/97/08/353269708.db2.gz QFFWTMABOORHKT-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000639021859 353280215 /nfs/dbraw/zinc/28/02/15/353280215.db2.gz OFMOTLNHGGKRLA-JHJVBQTASA-N 2 0 249.358 0.634 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639028261 353288878 /nfs/dbraw/zinc/28/88/78/353288878.db2.gz XSZIJIUNLAFHQC-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639027952 353291243 /nfs/dbraw/zinc/29/12/43/353291243.db2.gz UUABUYDDZGNDPU-GHMZBOCLSA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639030023 353291788 /nfs/dbraw/zinc/29/17/88/353291788.db2.gz OFGIRILIZDIYMO-MGCOHNPYSA-N 2 0 213.325 0.371 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639030082 353291797 /nfs/dbraw/zinc/29/17/97/353291797.db2.gz QKDKYLLTBPYYFD-DCAQKATOSA-N 2 0 243.351 0.125 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639030147 353292132 /nfs/dbraw/zinc/29/21/32/353292132.db2.gz CAORYMWPYQGHAZ-GUBZILKMSA-N 2 0 213.325 0.500 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000639029514 353296343 /nfs/dbraw/zinc/29/63/43/353296343.db2.gz GDMBQHKRHCTBAZ-DFLMOOGLSA-N 2 0 211.309 0.110 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639029400 353295561 /nfs/dbraw/zinc/29/55/61/353295561.db2.gz AGGXNSPHIOHVKG-OPRDCNLKSA-N 2 0 213.325 0.371 20 0 BCADRP C(C1CC[NH2+]CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000336402132 188228745 /nfs/dbraw/zinc/22/87/45/188228745.db2.gz XSLUTKYMDXPWRX-BETUJISGSA-N 2 0 223.364 0.812 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639030501 353297541 /nfs/dbraw/zinc/29/75/41/353297541.db2.gz GBIFPLHHKPLNHI-DBIOUOCHSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000639031327 353299183 /nfs/dbraw/zinc/29/91/83/353299183.db2.gz GVOJHWCSRIBKPQ-MXWKQRLJSA-N 2 0 240.351 0.117 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639031737 353300669 /nfs/dbraw/zinc/30/06/69/353300669.db2.gz VNBGLNCZOMRPIW-GMTAPVOTSA-N 2 0 227.352 0.761 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000639031960 353301370 /nfs/dbraw/zinc/30/13/70/353301370.db2.gz JMQVVGKPGUMSQK-DDHJBXDOSA-N 2 0 239.363 0.761 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000165323328 353301479 /nfs/dbraw/zinc/30/14/79/353301479.db2.gz FSHLWTHCSNXGKC-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252846127 353312025 /nfs/dbraw/zinc/31/20/25/353312025.db2.gz FKBXAKMHBWTDCR-DCAQKATOSA-N 2 0 225.336 0.134 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)[C@@H](C)[NH3+] ZINC000639032273 353302308 /nfs/dbraw/zinc/30/23/08/353302308.db2.gz PUULNWYJTRDROG-DDHJBXDOSA-N 2 0 241.379 0.992 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252864633 353312787 /nfs/dbraw/zinc/31/27/87/353312787.db2.gz PIFDNISZUWOLLE-UKKRHICBSA-N 2 0 225.336 0.310 20 0 BCADRP CC(C)(CO)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000168616625 538115007 /nfs/dbraw/zinc/11/50/07/538115007.db2.gz ABCMHKZEAUTIQT-UWVGGRQHSA-N 2 0 200.326 0.864 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639043785 353328962 /nfs/dbraw/zinc/32/89/62/353328962.db2.gz ZJQCLJVHUBABAP-XYPYZODXSA-N 2 0 227.352 0.713 20 0 BCADRP CCN(CCO)CC[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000639053625 353355723 /nfs/dbraw/zinc/35/57/23/353355723.db2.gz KOXYFRDMVCCBJU-NXEZZACHSA-N 2 0 236.306 0.934 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371018495 133961101 /nfs/dbraw/zinc/96/11/01/133961101.db2.gz NKAVIPBFBBBJAX-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]([NH3+])C(C)C ZINC000627077085 363218300 /nfs/dbraw/zinc/21/83/00/363218300.db2.gz RVERDUZJLAQRJX-GARJFASQSA-N 2 0 242.367 0.409 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639072860 353390101 /nfs/dbraw/zinc/39/01/01/353390101.db2.gz ZZBJBBLIHCMTTR-ZJUUUORDSA-N 2 0 233.315 0.813 20 0 BCADRP C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCO1 ZINC000085283359 538116186 /nfs/dbraw/zinc/11/61/86/538116186.db2.gz CLDIMBXVPURQPP-UTUOFQBUSA-N 2 0 210.321 0.707 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000627077086 363218025 /nfs/dbraw/zinc/21/80/25/363218025.db2.gz RVERDUZJLAQRJX-OUAUKWLOSA-N 2 0 242.367 0.409 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627078504 363222241 /nfs/dbraw/zinc/22/22/41/363222241.db2.gz AOHWVHHGZJLEKX-NXEZZACHSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627078505 363222537 /nfs/dbraw/zinc/22/25/37/363222537.db2.gz AOHWVHHGZJLEKX-UWVGGRQHSA-N 2 0 240.351 0.165 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000165605749 353405429 /nfs/dbraw/zinc/40/54/29/353405429.db2.gz FNCZECHNNCEUPC-UWVGGRQHSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627079848 363224350 /nfs/dbraw/zinc/22/43/50/363224350.db2.gz GDDRGVRTCZAFKQ-HBNTYKKESA-N 2 0 242.367 0.409 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000572481624 324122314 /nfs/dbraw/zinc/12/23/14/324122314.db2.gz SLRIQLDIWYCSOC-FOGDFJRCSA-N 2 0 227.352 0.618 20 0 BCADRP CCC[C@H](O)[C@@H](CO)[NH2+]Cc1cnc(C)n1C ZINC000572498355 324134773 /nfs/dbraw/zinc/13/47/73/324134773.db2.gz PZVCMUXCOGLEMM-NEPJUHHUSA-N 2 0 241.335 0.340 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627082090 363231867 /nfs/dbraw/zinc/23/18/67/363231867.db2.gz BKFQNEINSACMKO-UTLUCORTSA-N 2 0 228.340 0.163 20 0 BCADRP COCC[N@H+](C)CCCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192098178 353542124 /nfs/dbraw/zinc/54/21/24/353542124.db2.gz CUTHTIWRNSBMQE-WDEREUQCSA-N 2 0 245.367 0.054 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192108290 353542651 /nfs/dbraw/zinc/54/26/51/353542651.db2.gz DAWQYIOGZSYFEG-GARJFASQSA-N 2 0 229.368 0.816 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000577865583 366089349 /nfs/dbraw/zinc/08/93/49/366089349.db2.gz GMCIEHPYEZYYPD-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CC[C@@H](C)[NH3+] ZINC000193309235 353589755 /nfs/dbraw/zinc/58/97/55/353589755.db2.gz QKINOFYTZWYNRU-GHMZBOCLSA-N 2 0 229.368 0.960 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000193566395 353601290 /nfs/dbraw/zinc/60/12/90/353601290.db2.gz JOQBCTLVHBGJES-LPEHRKFASA-N 2 0 227.352 0.617 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627089980 363242525 /nfs/dbraw/zinc/24/25/25/363242525.db2.gz NRNLWEJCSUBBPH-OUAUKWLOSA-N 2 0 242.367 0.424 20 0 BCADRP C[NH2+]CCC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000577872632 366093964 /nfs/dbraw/zinc/09/39/64/366093964.db2.gz VAOSSNAOUJAIBH-SNVBAGLBSA-N 2 0 248.330 0.446 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000577864664 366090089 /nfs/dbraw/zinc/09/00/89/366090089.db2.gz RAFOVMWHJGIADC-MNOVXSKESA-N 2 0 227.352 0.395 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CCSCC1 ZINC000577878615 366094935 /nfs/dbraw/zinc/09/49/35/366094935.db2.gz PWDPGFWDEIOYBT-VIFPVBQESA-N 2 0 204.339 0.006 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC/C=C\C[NH3+] ZINC000627092691 363250771 /nfs/dbraw/zinc/25/07/71/363250771.db2.gz DAIFOTVZIJIVFA-BYCRGOAPSA-N 2 0 240.351 0.141 20 0 BCADRP CC[NH+]1CCC(CNC(=O)C2([NH3+])CC2)CC1 ZINC000083835632 353711464 /nfs/dbraw/zinc/71/14/64/353711464.db2.gz RMMDEAPHAGIODF-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627096018 363253466 /nfs/dbraw/zinc/25/34/66/363253466.db2.gz OQIOEGUEHZETJJ-GMTAPVOTSA-N 2 0 242.367 0.554 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627097051 363256589 /nfs/dbraw/zinc/25/65/89/363256589.db2.gz CLWJNUKPJBJUNP-KXUCPTDWSA-N 2 0 228.340 0.163 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000261545240 535246460 /nfs/dbraw/zinc/24/64/60/535246460.db2.gz JRYKRNYLEPHZAB-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCCC[NH2+]C(C)C ZINC000577942264 366116031 /nfs/dbraw/zinc/11/60/31/366116031.db2.gz LORDOGAZSOKVHJ-LLVKDONJSA-N 2 0 229.368 0.879 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000627102463 363261339 /nfs/dbraw/zinc/26/13/39/363261339.db2.gz NCOZJEAKQFEEET-ZJUUUORDSA-N 2 0 228.340 0.104 20 0 BCADRP C[NH2+]CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000178406169 366121713 /nfs/dbraw/zinc/12/17/13/366121713.db2.gz ZZMSENMOAKNUCY-SNVBAGLBSA-N 2 0 207.277 0.022 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000343410172 353879025 /nfs/dbraw/zinc/87/90/25/353879025.db2.gz BGBHIFUYWGKXGI-DCAQKATOSA-N 2 0 225.336 0.195 20 0 BCADRP CC[N@H+](CC(=O)N[C@@H](C)CC[NH+](C)C)C1CC1 ZINC000343440448 353887672 /nfs/dbraw/zinc/88/76/72/353887672.db2.gz FFOYFVNOUQDGKT-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000334537022 353923685 /nfs/dbraw/zinc/92/36/85/353923685.db2.gz JGAHAEKARXPCCF-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000334537021 353923987 /nfs/dbraw/zinc/92/39/87/353923987.db2.gz JGAHAEKARXPCCF-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC1CCC(C[NH3+])CC1 ZINC000343606839 353932395 /nfs/dbraw/zinc/93/23/95/353932395.db2.gz IYBQYBWVCCCBCL-JYBOHDQNSA-N 2 0 241.379 0.851 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1([NH3+])CCCC1 ZINC000627113540 363274932 /nfs/dbraw/zinc/27/49/32/363274932.db2.gz BUFHVAIIMUXMOZ-VHSXEESVSA-N 2 0 240.351 0.308 20 0 BCADRP COCC[C@H](CO)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000343589338 353940930 /nfs/dbraw/zinc/94/09/30/353940930.db2.gz GOBVCGSQBKDSFO-LOWVWBTDSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000343587737 353941000 /nfs/dbraw/zinc/94/10/00/353941000.db2.gz DQTONIZYRCUWTG-UTLUCORTSA-N 2 0 243.376 0.030 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000343476806 353902370 /nfs/dbraw/zinc/90/23/70/353902370.db2.gz NYKZAUILGZEDJM-WISYIIOYSA-N 2 0 239.363 0.489 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCNC(C)=O)[C@H](C)C1 ZINC000178513722 366132456 /nfs/dbraw/zinc/13/24/56/366132456.db2.gz UYHGTOUDVJERSL-DGCLKSJQSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000366844082 353983694 /nfs/dbraw/zinc/98/36/94/353983694.db2.gz MRWCWPGFTVPIMW-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000343646145 353952673 /nfs/dbraw/zinc/95/26/73/353952673.db2.gz SCIUVDGHASBNMD-GWOFURMSSA-N 2 0 225.336 0.452 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000343650284 353953412 /nfs/dbraw/zinc/95/34/12/353953412.db2.gz XDYMHCZMZWMJNE-OUAUKWLOSA-N 2 0 237.347 0.324 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449655805 201995262 /nfs/dbraw/zinc/99/52/62/201995262.db2.gz HVCKPRRONKQXDI-HTQZYQBOSA-N 2 0 235.278 0.227 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627126756 363294988 /nfs/dbraw/zinc/29/49/88/363294988.db2.gz KNVCBTINBZXGLU-SNVBAGLBSA-N 2 0 240.351 0.261 20 0 BCADRP C[NH+](C)CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC000343857747 354024222 /nfs/dbraw/zinc/02/42/22/354024222.db2.gz VVDVGVUWRYPSOO-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H](C)C[NH3+] ZINC000230705471 363320826 /nfs/dbraw/zinc/32/08/26/363320826.db2.gz JXAGNSFWRMOXFD-JTQLQIEISA-N 2 0 215.341 0.381 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)CC[NH3+] ZINC000230705453 363321031 /nfs/dbraw/zinc/32/10/31/363321031.db2.gz ZJVNEBPLKSASOQ-UHFFFAOYSA-N 2 0 201.314 0.135 20 0 BCADRP CN(CCC[N@H+](C)CCCO)CC[NH+](C)C ZINC000344044794 354108976 /nfs/dbraw/zinc/10/89/76/354108976.db2.gz XMUDFOJHUYOAKZ-UHFFFAOYSA-N 2 0 231.384 0.184 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449680752 202000649 /nfs/dbraw/zinc/00/06/49/202000649.db2.gz KTJCKIATTDCVJE-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000449703898 202005494 /nfs/dbraw/zinc/00/54/94/202005494.db2.gz HAWJAXYEZUAEJN-QWRGUYRKSA-N 2 0 241.379 0.879 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000449727467 202008169 /nfs/dbraw/zinc/00/81/69/202008169.db2.gz PZDGABNLPMJJPH-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449726413 202009106 /nfs/dbraw/zinc/00/91/06/202009106.db2.gz KXLUZSHNTJHFFT-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP OCCN(CC(F)F)CC1CC[NH2+]CC1 ZINC000231618293 363345442 /nfs/dbraw/zinc/34/54/42/363345442.db2.gz ILZUFAUMPYGTMR-UHFFFAOYSA-N 2 0 222.279 0.545 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000334590020 354219289 /nfs/dbraw/zinc/21/92/89/354219289.db2.gz JNYHYQPTXLGJEM-DGCLKSJQSA-N 2 0 237.347 0.198 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000627135349 363355138 /nfs/dbraw/zinc/35/51/38/363355138.db2.gz QZCIMYFBJQDNMF-VHSXEESVSA-N 2 0 228.340 0.069 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000178596037 366144792 /nfs/dbraw/zinc/14/47/92/366144792.db2.gz JECJCFRWAYQDTB-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000334620285 354356775 /nfs/dbraw/zinc/35/67/75/354356775.db2.gz PYWKQVQJDYGXOM-NWDGAFQWSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)[NH+](C)C ZINC000344700152 354336378 /nfs/dbraw/zinc/33/63/78/354336378.db2.gz JGRYBLYOZRDGTI-GRYCIOLGSA-N 2 0 241.379 0.926 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449749303 202019357 /nfs/dbraw/zinc/01/93/57/202019357.db2.gz FJCIGQHNPIEZGN-ZJUUUORDSA-N 2 0 227.352 0.631 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178855932 366171824 /nfs/dbraw/zinc/17/18/24/366171824.db2.gz RHUOPVYFGGCSNK-UMNHJUIQSA-N 2 0 241.379 0.946 20 0 BCADRP [NH3+][C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)C1CCC1 ZINC000578011015 366177132 /nfs/dbraw/zinc/17/71/32/366177132.db2.gz LZQMALJYFFRFDD-MWLCHTKSSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC(F)F)C[C@@]1(C)C[NH3+] ZINC000578011947 366178915 /nfs/dbraw/zinc/17/89/15/366178915.db2.gz INOYJTGBCZKMSJ-SOCHQFKDSA-N 2 0 249.305 0.412 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000178907640 366180365 /nfs/dbraw/zinc/18/03/65/366180365.db2.gz RUHKSSRXGVXRMI-SECBINFHSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000578014495 366181642 /nfs/dbraw/zinc/18/16/42/366181642.db2.gz OOLWAVXOQFJDDX-GHMZBOCLSA-N 2 0 249.358 0.914 20 0 BCADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2C)C1 ZINC000578024057 366188634 /nfs/dbraw/zinc/18/86/34/366188634.db2.gz LYXSCGWVQQSVBY-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2C)C1 ZINC000578024055 366189254 /nfs/dbraw/zinc/18/92/54/366189254.db2.gz LYXSCGWVQQSVBY-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179107622 366207301 /nfs/dbraw/zinc/20/73/01/366207301.db2.gz VCRPGQDGARYNCS-BBBLOLIVSA-N 2 0 213.325 0.180 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000334763777 354584716 /nfs/dbraw/zinc/58/47/16/354584716.db2.gz ICYYMWXOYMSLDS-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H](C[NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000335095968 354635364 /nfs/dbraw/zinc/63/53/64/354635364.db2.gz ZAFOPLGLIFAMDX-VIFPVBQESA-N 2 0 233.315 0.866 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](C)[C@@H]1C ZINC000345327953 354611314 /nfs/dbraw/zinc/61/13/14/354611314.db2.gz UMBRKEFUIXVEPF-VXGBXAGGSA-N 2 0 241.379 0.926 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C)[NH+](C)C ZINC000345326343 354611552 /nfs/dbraw/zinc/61/15/52/354611552.db2.gz SQAHYCFZXKIIOM-QJPTWQEYSA-N 2 0 241.379 0.926 20 0 BCADRP [NH3+]C1(CNC(=O)C2([NH3+])CCCCC2)CCC1 ZINC000335124483 354766401 /nfs/dbraw/zinc/76/64/01/354766401.db2.gz LYYQRVOKWDATOT-UHFFFAOYSA-N 2 0 225.336 0.646 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000345721797 354743839 /nfs/dbraw/zinc/74/38/39/354743839.db2.gz VXCZDABXUOOTBN-SCVCMEIPSA-N 2 0 227.352 0.605 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000627158710 363398524 /nfs/dbraw/zinc/39/85/24/363398524.db2.gz CBBALDMXWDQLOX-OUAUKWLOSA-N 2 0 240.351 0.130 20 0 BCADRP C[NH+](C)CCC[NH2+]C1CCC(O)CC1 ZINC000234258202 363418538 /nfs/dbraw/zinc/41/85/38/363418538.db2.gz XFOMJNBSIAIMEI-UHFFFAOYSA-N 2 0 200.326 0.831 20 0 BCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCC[NH3+] ZINC000166028322 354839404 /nfs/dbraw/zinc/83/94/04/354839404.db2.gz HDYMTIVZIOGJAC-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP NC(=O)C[C@@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000346271483 354886359 /nfs/dbraw/zinc/88/63/59/354886359.db2.gz DHWFMOFTULFTOC-NSHDSACASA-N 2 0 236.319 0.471 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1C[C@@H]1C ZINC000234792723 363431849 /nfs/dbraw/zinc/43/18/49/363431849.db2.gz CJMDHXLFHAMDKX-AXFHLTTASA-N 2 0 200.326 0.986 20 0 BCADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000335169913 354932882 /nfs/dbraw/zinc/93/28/82/354932882.db2.gz JYDFBJDWLBRKES-NEPJUHHUSA-N 2 0 239.363 0.844 20 0 BCADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000335169914 354932894 /nfs/dbraw/zinc/93/28/94/354932894.db2.gz JYDFBJDWLBRKES-VXGBXAGGSA-N 2 0 239.363 0.844 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000335957370 134023833 /nfs/dbraw/zinc/02/38/33/134023833.db2.gz BVEKVPGOWGMCNT-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@]1(CNC(=O)[C@@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000335164224 354950649 /nfs/dbraw/zinc/95/06/49/354950649.db2.gz SYRNBWJLXSAFJD-YPMHNXCESA-N 2 0 239.363 0.492 20 0 BCADRP C[C@@H]([NH2+]CC12CC(C1)CO2)[C@@H]1CC[NH2+]C1 ZINC000530217802 324534374 /nfs/dbraw/zinc/53/43/74/324534374.db2.gz CLIFNEDPWBIRPK-QTAHKJALSA-N 2 0 210.321 0.753 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000335204145 355038827 /nfs/dbraw/zinc/03/88/27/355038827.db2.gz GUUWYPPGIJMBBZ-SNVBAGLBSA-N 2 0 225.336 0.455 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000335204817 355039889 /nfs/dbraw/zinc/03/98/89/355039889.db2.gz ZIPAMNNHICXCDR-DGCLKSJQSA-N 2 0 247.342 0.884 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000366951164 355004544 /nfs/dbraw/zinc/00/45/44/355004544.db2.gz IXPLICHYRLZBID-VWYCJHECSA-N 2 0 243.326 0.144 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000166066306 355005806 /nfs/dbraw/zinc/00/58/06/355005806.db2.gz BQHCATAPDPDXBB-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H]1CN(CC(=O)NC(C)(C)C)CC[C@@H]1[NH3+] ZINC000147524551 491071279 /nfs/dbraw/zinc/07/12/79/491071279.db2.gz MZZZNLJJMBLRGG-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@@H](NC[C@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000530227749 324547653 /nfs/dbraw/zinc/54/76/53/324547653.db2.gz ZSIQFJPHDFOTSX-TUAOUCFPSA-N 2 0 227.352 0.095 20 0 BCADRP CN(C(=O)[C@H]1CC[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000335186437 355085011 /nfs/dbraw/zinc/08/50/11/355085011.db2.gz ZHWILIZYODGHEC-WDEREUQCSA-N 2 0 223.320 0.043 20 0 BCADRP O=C(Nc1ccn2ccnc2c1)NC1C[NH2+]C1 ZINC000335214045 355051999 /nfs/dbraw/zinc/05/19/99/355051999.db2.gz LSKJMJFWBFXAHE-UHFFFAOYSA-N 2 0 231.259 0.428 20 0 BCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC000335217904 355056406 /nfs/dbraw/zinc/05/64/06/355056406.db2.gz NMUJAGYVLHOHOX-NEPJUHHUSA-N 2 0 239.363 0.491 20 0 BCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC000335217907 355056459 /nfs/dbraw/zinc/05/64/59/355056459.db2.gz NMUJAGYVLHOHOX-VXGBXAGGSA-N 2 0 239.363 0.491 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000335185573 355084269 /nfs/dbraw/zinc/08/42/69/355084269.db2.gz BXYCOEDQMKZPBS-NWDGAFQWSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000335185572 355084271 /nfs/dbraw/zinc/08/42/71/355084271.db2.gz BXYCOEDQMKZPBS-NEPJUHHUSA-N 2 0 239.363 0.442 20 0 BCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000335220973 355060941 /nfs/dbraw/zinc/06/09/41/355060941.db2.gz YGOSXLROQKTOOX-NEPJUHHUSA-N 2 0 239.363 0.633 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)C12CCC[NH+]1CCC2 ZINC000335222148 355062589 /nfs/dbraw/zinc/06/25/89/355062589.db2.gz XIHUBDQWSZJICS-NSHDSACASA-N 2 0 237.347 0.483 20 0 BCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@H]1CC[NH2+]1 ZINC000335224471 355065570 /nfs/dbraw/zinc/06/55/70/355065570.db2.gz RJFRSQRROOQIRS-GFCCVEGCSA-N 2 0 231.299 0.268 20 0 BCADRP CC(C)(C[NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000236613795 491072476 /nfs/dbraw/zinc/07/24/76/491072476.db2.gz RIWUOUOMUCFXCK-VIFPVBQESA-N 2 0 213.325 0.087 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000237328340 491073396 /nfs/dbraw/zinc/07/33/96/491073396.db2.gz CTAFDITXNVWUPM-VHSXEESVSA-N 2 0 213.325 0.100 20 0 BCADRP Cc1cc(C[NH3+])cc(NC(=O)C2([NH3+])CC2)c1 ZINC000335238224 355100030 /nfs/dbraw/zinc/10/00/30/355100030.db2.gz IPEXTUOACZPERH-UHFFFAOYSA-N 2 0 219.288 0.884 20 0 BCADRP CC[C@H]1CN(CC(C)(C)[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000346844847 355135370 /nfs/dbraw/zinc/13/53/70/355135370.db2.gz LWQDZXSZQVDQOW-RYUDHWBXSA-N 2 0 243.395 0.501 20 0 BCADRP C[NH+](C)C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000347000577 355197869 /nfs/dbraw/zinc/19/78/69/355197869.db2.gz ZOHDKCISCLITCG-ZDUSSCGKSA-N 3 0 225.380 0.870 20 0 BCADRP CC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](CC)C1 ZINC000413180649 191361007 /nfs/dbraw/zinc/36/10/07/191361007.db2.gz DNFKJHUEDUPDMU-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C1([NH3+])CCCC1 ZINC000335290622 355264248 /nfs/dbraw/zinc/26/42/48/355264248.db2.gz KUWNCVJGSOHZTO-UWVGGRQHSA-N 2 0 225.336 0.372 20 0 BCADRP CCNC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335281763 355273079 /nfs/dbraw/zinc/27/30/79/355273079.db2.gz XFFTTXFPBGFXPS-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000623226455 355291024 /nfs/dbraw/zinc/29/10/24/355291024.db2.gz BCDHLSGRHTZHJI-GHMZBOCLSA-N 2 0 225.336 0.291 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000608376365 355388809 /nfs/dbraw/zinc/38/88/09/355388809.db2.gz RWQXSPLGVTXVJW-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC[NH2+]CC1 ZINC000335794757 355450421 /nfs/dbraw/zinc/45/04/21/355450421.db2.gz MYOCHWSGIYFQNJ-KBPBESRZSA-N 3 0 237.391 0.917 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652232250 491080687 /nfs/dbraw/zinc/08/06/87/491080687.db2.gz UVAWNKNSDFUDHY-UWVGGRQHSA-N 2 0 240.351 0.247 20 0 BCADRP CCNC(=O)C(C)(C)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415091150 191676197 /nfs/dbraw/zinc/67/61/97/191676197.db2.gz BUIZCTNUCYCFJP-QWRGUYRKSA-N 2 0 241.379 0.879 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH3+])C[C@H]1C ZINC000335840525 355584253 /nfs/dbraw/zinc/58/42/53/355584253.db2.gz NOUYRNHHXIAQIU-NXEZZACHSA-N 2 0 213.325 0.276 20 0 BCADRP CN(C(=O)[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000335852307 355596720 /nfs/dbraw/zinc/59/67/20/355596720.db2.gz VCJWZWHCAFHDPZ-ZYHUDNBSSA-N 2 0 237.347 0.291 20 0 BCADRP CC(C)(O)C[NH+]1CCC([NH2+]C/C=C\CO)CC1 ZINC000639308032 355662860 /nfs/dbraw/zinc/66/28/60/355662860.db2.gz KDDLBMLDNMGXBP-ARJAWSKDSA-N 2 0 242.363 0.360 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000335895522 355690297 /nfs/dbraw/zinc/69/02/97/355690297.db2.gz ZYMODPYWMVXSDB-CMPLNLGQSA-N 2 0 239.363 0.892 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)CC[NH3+] ZINC000417002840 191773697 /nfs/dbraw/zinc/77/36/97/191773697.db2.gz GUVULCHYJYQQCJ-WDEREUQCSA-N 2 0 244.383 0.753 20 0 BCADRP CC[NH+](CC)CCCNC(=O)NC[C@H](C)C[NH3+] ZINC000416796734 191760289 /nfs/dbraw/zinc/76/02/89/191760289.db2.gz BIVDKOAPAHLQJQ-LLVKDONJSA-N 2 0 244.383 0.612 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+]Cc1ncc[nH]1 ZINC000350318398 355674377 /nfs/dbraw/zinc/67/43/77/355674377.db2.gz NILLTUKDANMDIQ-UHFFFAOYSA-N 2 0 240.351 0.858 20 0 BCADRP CO[C@@]1(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCOC1 ZINC000639312854 355684204 /nfs/dbraw/zinc/68/42/04/355684204.db2.gz ORLPKUFGGUBZMF-FRRDWIJNSA-N 2 0 242.363 0.722 20 0 BCADRP CO[C@]1(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCOC1 ZINC000639312855 355684261 /nfs/dbraw/zinc/68/42/61/355684261.db2.gz ORLPKUFGGUBZMF-XQQFMLRXSA-N 2 0 242.363 0.722 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC(C)(C)CC[NH3+] ZINC000584349493 355859299 /nfs/dbraw/zinc/85/92/99/355859299.db2.gz WXDOHSPHYZGIBI-IUCAKERBSA-N 2 0 230.356 0.539 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000129850506 191863767 /nfs/dbraw/zinc/86/37/67/191863767.db2.gz LRLMLMCMLWTKSD-NWDGAFQWSA-N 2 0 241.379 0.688 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000336032485 134058688 /nfs/dbraw/zinc/05/86/88/134058688.db2.gz BEKUDQZSWQQMIF-AAEUAGOBSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000336036096 134059808 /nfs/dbraw/zinc/05/98/08/134059808.db2.gz CKNOLKRYKWPDRH-ONGXEEELSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)CC[NH3+])C[C@H]1C[NH3+] ZINC000583632269 355941410 /nfs/dbraw/zinc/94/14/10/355941410.db2.gz TZQNYWFXALKEKD-KXUCPTDWSA-N 2 0 213.325 0.167 20 0 BCADRP CN(CC[NH3+])C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000417821089 191930371 /nfs/dbraw/zinc/93/03/71/191930371.db2.gz DHKMISVJSPFCIP-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000417819513 191930965 /nfs/dbraw/zinc/93/09/65/191930965.db2.gz UBWPXGWFIDNRHY-FOGDFJRCSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000417824418 191931896 /nfs/dbraw/zinc/93/18/96/191931896.db2.gz ZVZGAEQAPYVBAJ-WZRBSPASSA-N 2 0 239.363 0.570 20 0 BCADRP CCn1c(C)nnc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351480229 355996039 /nfs/dbraw/zinc/99/60/39/355996039.db2.gz UVXFOPNEAGBZSP-QJPTWQEYSA-N 2 0 249.362 0.776 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000417837905 191933714 /nfs/dbraw/zinc/93/37/14/191933714.db2.gz MTYHFRRLGPJGPU-NQBHXWOUSA-N 2 0 239.363 0.429 20 0 BCADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]12 ZINC000351488176 355999790 /nfs/dbraw/zinc/99/97/90/355999790.db2.gz DXWIAYJGXAXAPJ-QJPTWQEYSA-N 2 0 237.347 0.278 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CC1CC[NH2+]CC1 ZINC000417846806 191936869 /nfs/dbraw/zinc/93/68/69/191936869.db2.gz UEQWBDJAFXQQKW-LLVKDONJSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000417848636 191936936 /nfs/dbraw/zinc/93/69/36/191936936.db2.gz VXQDWQKBPJOZHZ-MNOVXSKESA-N 2 0 241.379 0.866 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000583640981 355946908 /nfs/dbraw/zinc/94/69/08/355946908.db2.gz AIWMRGFVJHFQJW-UKKRHICBSA-N 2 0 214.309 0.260 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000167197873 355968333 /nfs/dbraw/zinc/96/83/33/355968333.db2.gz PTMDGJNBUHZJNS-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)COC1CCC([NH3+])CC1 ZINC000584349897 356061487 /nfs/dbraw/zinc/06/14/87/356061487.db2.gz YLCXKUKQOVOPBQ-KPPDAEKUSA-N 2 0 243.351 0.079 20 0 BCADRP C[C@H](C[NH3+])NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000584350229 356062216 /nfs/dbraw/zinc/06/22/16/356062216.db2.gz YGEITAZJDPHBIC-ZYHUDNBSSA-N 2 0 235.331 0.930 20 0 BCADRP CCN(C(=O)[C@H](C)[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000617553551 356110923 /nfs/dbraw/zinc/11/09/23/356110923.db2.gz KLRJHCCBJYORRN-WDEREUQCSA-N 2 0 227.352 0.489 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NCC[NH3+] ZINC000418198006 191994706 /nfs/dbraw/zinc/99/47/06/191994706.db2.gz KSKKOHCBAZRUBU-JTQLQIEISA-N 2 0 230.356 0.365 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NC[C@H](C)[NH+](C)C ZINC000418257951 192005684 /nfs/dbraw/zinc/00/56/84/192005684.db2.gz NCZJCOMPDMUXGG-VHSXEESVSA-N 2 0 230.356 0.219 20 0 BCADRP C[C@@H](CNC(=O)N1CCCC[C@H]1C[NH3+])[NH+](C)C ZINC000418266824 192010140 /nfs/dbraw/zinc/01/01/40/192010140.db2.gz VVCXIRBYHPFRMS-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@H](C)[NH+](C)C ZINC000418267803 192010194 /nfs/dbraw/zinc/01/01/94/192010194.db2.gz WTCHPNBKBMMYTL-UWVGGRQHSA-N 2 0 230.356 0.091 20 0 BCADRP CN(CC[NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000418295037 192019911 /nfs/dbraw/zinc/01/99/11/192019911.db2.gz IXGPWXMGPCRSLM-UHFFFAOYSA-N 2 0 228.340 0.248 20 0 BCADRP CC(C)([NH3+])CNC(=O)NCC1([NH3+])CCCCC1 ZINC000418299934 192020608 /nfs/dbraw/zinc/02/06/08/192020608.db2.gz UKZHWSAYQSZMMI-UHFFFAOYSA-N 2 0 242.367 0.685 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCC1([NH3+])CCCCC1 ZINC000418299992 192020693 /nfs/dbraw/zinc/02/06/93/192020693.db2.gz UXLNJCDGZGJGSH-SNVBAGLBSA-N 2 0 242.367 0.685 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC[NH3+] ZINC000418310209 192021661 /nfs/dbraw/zinc/02/16/61/192021661.db2.gz JJIZEHRXGNOIGE-NXEZZACHSA-N 2 0 228.340 0.247 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCCC[NH3+] ZINC000418315634 192022066 /nfs/dbraw/zinc/02/20/66/192022066.db2.gz VNERNMCCTQWBPQ-VIFPVBQESA-N 2 0 216.329 0.008 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NCCC[NH3+] ZINC000418311576 192022166 /nfs/dbraw/zinc/02/21/66/192022166.db2.gz MKZWEEJNIYUTAW-VIFPVBQESA-N 2 0 216.329 0.152 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418315298 192022622 /nfs/dbraw/zinc/02/26/22/192022622.db2.gz UPAAQUHHZYOXHX-UHFFFAOYSA-N 2 0 242.367 0.318 20 0 BCADRP CN(C(=O)NCCC[NH2+]C1CC1)C1CC([NH3+])C1 ZINC000418291171 192016910 /nfs/dbraw/zinc/01/69/10/192016910.db2.gz VDLDLNAOEFPQAU-UHFFFAOYSA-N 2 0 240.351 0.260 20 0 BCADRP CO[C@@]1(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)CCOC1 ZINC000160080057 356201124 /nfs/dbraw/zinc/20/11/24/356201124.db2.gz IMQXUQKSDLYBRK-QWHCGFSZSA-N 2 0 242.363 0.723 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000331823644 356203988 /nfs/dbraw/zinc/20/39/88/356203988.db2.gz CGBVFYMIYRAJJF-LLVKDONJSA-N 2 0 242.367 0.461 20 0 BCADRP CC1(C)CO[C@H](C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000639456088 356241120 /nfs/dbraw/zinc/24/11/20/356241120.db2.gz AGDOWRLCKANYPC-SRVKXCTJSA-N 2 0 224.348 0.953 20 0 BCADRP Cn1cncc1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000639457225 356242038 /nfs/dbraw/zinc/24/20/38/356242038.db2.gz QSEGXHYFPOAKBG-QWRGUYRKSA-N 2 0 220.320 0.114 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000420297961 192204403 /nfs/dbraw/zinc/20/44/03/192204403.db2.gz ZGXVKPYQMJDBKA-UWVGGRQHSA-N 2 0 214.309 0.609 20 0 BCADRP COC(=O)CC1(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000420300974 192207470 /nfs/dbraw/zinc/20/74/70/192207470.db2.gz DLTWVAOJCKYCRS-WDEREUQCSA-N 2 0 240.347 0.999 20 0 BCADRP CCOC(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420299643 192206415 /nfs/dbraw/zinc/20/64/15/192206415.db2.gz BDTDYRDENMTVOI-TUAOUCFPSA-N 2 0 240.347 0.999 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000420303339 192206861 /nfs/dbraw/zinc/20/68/61/192206861.db2.gz XECGQMCWVNWXHY-JTQLQIEISA-N 2 0 214.309 0.609 20 0 BCADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000639488823 356305635 /nfs/dbraw/zinc/30/56/35/356305635.db2.gz LNOAXDXXDZFKHO-NEPJUHHUSA-N 2 0 249.362 0.649 20 0 BCADRP NC(=O)C[C@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420302911 192206595 /nfs/dbraw/zinc/20/65/95/192206595.db2.gz MSQHGCDFYAWGPI-VXGBXAGGSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+][C@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420274978 192198758 /nfs/dbraw/zinc/19/87/58/192198758.db2.gz PPKSBFKVDHUDNY-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP CCOC(=O)CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420303970 192207047 /nfs/dbraw/zinc/20/70/47/192207047.db2.gz IDXRSKFLKVBMLJ-DCAQKATOSA-N 2 0 226.320 0.609 20 0 BCADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000617752376 356311502 /nfs/dbraw/zinc/31/15/02/356311502.db2.gz MVTNLYLTGSLJDX-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@H](CCNC(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000617753532 356312432 /nfs/dbraw/zinc/31/24/32/356312432.db2.gz FJJOURBZYJRDQI-ZJUUUORDSA-N 2 0 215.341 0.393 20 0 BCADRP CC[C@@H](C(=O)NCC[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000617755116 356313525 /nfs/dbraw/zinc/31/35/25/356313525.db2.gz IFIGXACUMZBHMT-MNOVXSKESA-N 2 0 229.368 0.783 20 0 BCADRP C[NH2+][C@@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000420286841 192201475 /nfs/dbraw/zinc/20/14/75/192201475.db2.gz FUMKVGHKZUHOHD-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP COC(=O)CC1(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000420292898 192202662 /nfs/dbraw/zinc/20/26/62/192202662.db2.gz QHEGIBREDYFQLB-GHMZBOCLSA-N 2 0 240.347 0.999 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420313488 192213337 /nfs/dbraw/zinc/21/33/37/192213337.db2.gz UCPFVKWWCYYLOG-MNOVXSKESA-N 2 0 228.336 0.997 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420337366 192213759 /nfs/dbraw/zinc/21/37/59/192213759.db2.gz WUAOEDCKQNFIIO-QWHCGFSZSA-N 3 0 225.380 0.917 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C1(C)C[NH2+]C1 ZINC000422898379 192500858 /nfs/dbraw/zinc/50/08/58/192500858.db2.gz DYNXAQSAPGGABE-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)C1CC([NH3+])C1 ZINC000420338544 192216168 /nfs/dbraw/zinc/21/61/68/192216168.db2.gz RWMDWIIDTOFZAC-VOMCLLRMSA-N 3 0 211.353 0.798 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420349341 192217476 /nfs/dbraw/zinc/21/74/76/192217476.db2.gz CNQZKXSIWBLTCI-SRVKXCTJSA-N 3 0 211.353 0.798 20 0 BCADRP C(CN1CC[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC000420346518 192217504 /nfs/dbraw/zinc/21/75/04/192217504.db2.gz YNJNONNRKXGVMF-UPJWGTAASA-N 2 0 223.364 0.670 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000336426007 356368168 /nfs/dbraw/zinc/36/81/68/356368168.db2.gz JLIMATXAXBHEBR-WDEREUQCSA-N 2 0 239.363 0.490 20 0 BCADRP OCC[C@@H]1CSCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420301267 192207977 /nfs/dbraw/zinc/20/79/77/192207977.db2.gz LFZAHWUNCWKNGW-NWDGAFQWSA-N 2 0 244.404 0.786 20 0 BCADRP COC[C@@](C)(CCO)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420307165 192208225 /nfs/dbraw/zinc/20/82/25/192208225.db2.gz RIAOJQMKBPPCTH-QWHCGFSZSA-N 2 0 244.379 0.753 20 0 BCADRP CCOC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420313974 192212432 /nfs/dbraw/zinc/21/24/32/192212432.db2.gz UWBWEMNCKZECRE-UHFFFAOYSA-N 2 0 226.320 0.625 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420316555 192212876 /nfs/dbraw/zinc/21/28/76/192212876.db2.gz YIYXZQIANOSCJS-ZJUUUORDSA-N 2 0 214.309 0.609 20 0 BCADRP Cc1cnc(CC[N@H+](C)CCOCC[NH3+])s1 ZINC000420367869 192225955 /nfs/dbraw/zinc/22/59/55/192225955.db2.gz WJNCMEMIHRCUBM-UHFFFAOYSA-N 2 0 243.376 0.901 20 0 BCADRP C(CN(C1CC1)[C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000420322630 192226766 /nfs/dbraw/zinc/22/67/66/192226766.db2.gz STARAMANOPKDKD-AAEUAGOBSA-N 2 0 223.364 0.812 20 0 BCADRP CCOC(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420324326 192229780 /nfs/dbraw/zinc/22/97/80/192229780.db2.gz VJEHQQVNVDZHNP-VHSXEESVSA-N 2 0 214.309 0.609 20 0 BCADRP CCOC(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420324325 192230155 /nfs/dbraw/zinc/23/01/55/192230155.db2.gz VJEHQQVNVDZHNP-UWVGGRQHSA-N 2 0 214.309 0.609 20 0 BCADRP C[N@H+](CC[C@H]1CC[NH2+]C1)C1(CN)CCC1 ZINC000420324687 192230672 /nfs/dbraw/zinc/23/06/72/192230672.db2.gz HMWAXYABCKJCFL-LLVKDONJSA-N 2 0 211.353 0.799 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000564721984 491090786 /nfs/dbraw/zinc/09/07/86/491090786.db2.gz KZLKVNOBONGTIR-JTQLQIEISA-N 2 0 239.363 0.620 20 0 BCADRP CCC[C@@H]1CN(C[C@H](C)[NH3+])CC[N@@H+]1CCOC ZINC000420363686 192224399 /nfs/dbraw/zinc/22/43/99/192224399.db2.gz BVXSHFRWYJGIEU-QWHCGFSZSA-N 2 0 243.395 0.766 20 0 BCADRP CCC[C@H]1CN(C[C@@H](C)[NH3+])CC[N@@H+]1CCOC ZINC000420363684 192224487 /nfs/dbraw/zinc/22/44/87/192224487.db2.gz BVXSHFRWYJGIEU-OLZOCXBDSA-N 2 0 243.395 0.766 20 0 BCADRP C[NH2+]CCC[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000420380073 192234244 /nfs/dbraw/zinc/23/42/44/192234244.db2.gz BRUPWULHKJDVBU-LBPRGKRZSA-N 2 0 229.368 0.248 20 0 BCADRP C[NH2+]CCC[N@H+](C)CCC(=O)NC1CCCC1 ZINC000420385912 192234692 /nfs/dbraw/zinc/23/46/92/192234692.db2.gz HJSUUVGSMXJNON-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCN(C)C[C@H]1CC ZINC000580351855 356429763 /nfs/dbraw/zinc/42/97/63/356429763.db2.gz UYUMAJGSYUHGEO-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP C[C@@H]1CN(CCC(=O)Nc2cccnc2)C[C@H]1[NH3+] ZINC000420371845 192242130 /nfs/dbraw/zinc/24/21/30/192242130.db2.gz MARVMLOIJNKEFF-ZYHUDNBSSA-N 2 0 248.330 0.689 20 0 BCADRP CC(C)(C)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C(N)=O ZINC000420375038 192231269 /nfs/dbraw/zinc/23/12/69/192231269.db2.gz OSUBFMOPOHNRBF-MNOVXSKESA-N 2 0 241.379 0.866 20 0 BCADRP COc1ccc([C@H](C[NH3+])CN(C)CC[NH3+])cc1 ZINC000420372832 192231789 /nfs/dbraw/zinc/23/17/89/192231789.db2.gz FQIKUHUCZPJWGP-GFCCVEGCSA-N 2 0 237.347 0.628 20 0 BCADRP CC(C)N(C)C(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420465250 192243896 /nfs/dbraw/zinc/24/38/96/192243896.db2.gz YHQHDFIXWXOKGB-UHFFFAOYSA-N 2 0 230.356 0.446 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000019411645 356482656 /nfs/dbraw/zinc/48/26/56/356482656.db2.gz GLWDCXQXFHASBE-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[NH+](CC)CC ZINC000019430581 356483339 /nfs/dbraw/zinc/48/33/39/356483339.db2.gz TWCZDBRVXIYDJS-GHMZBOCLSA-N 2 0 229.368 0.818 20 0 BCADRP CC(C)CNC(=O)CN1CCC[C@H](C[NH3+])C1 ZINC000019843085 356486031 /nfs/dbraw/zinc/48/60/31/356486031.db2.gz DSPWPBZIQUAQBV-LLVKDONJSA-N 2 0 227.352 0.429 20 0 BCADRP C[C@@H](NC(=O)C[C@H](C)[NH3+])[C@H]1CCC[NH2+]C1 ZINC000309367099 491093871 /nfs/dbraw/zinc/09/38/71/491093871.db2.gz BJZUKVYWABBQGW-AEJSXWLSSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]CC1(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000336176211 134116740 /nfs/dbraw/zinc/11/67/40/134116740.db2.gz MWMKWFOAMPDJAC-MNOVXSKESA-N 2 0 239.363 0.892 20 0 BCADRP O=C(CCC1CC[NH2+]CC1)NC[C@H]1CCC[NH2+]1 ZINC000179768971 366301505 /nfs/dbraw/zinc/30/15/05/366301505.db2.gz PPIXEOPXLHBAEC-GFCCVEGCSA-N 2 0 239.363 0.634 20 0 BCADRP CC(=O)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000639660917 356570738 /nfs/dbraw/zinc/57/07/38/356570738.db2.gz WRICZPGKIBKETJ-GFCCVEGCSA-N 2 0 210.321 0.993 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)N(C)CC[NH+](C)C)C[NH2+]1 ZINC000627200196 363497636 /nfs/dbraw/zinc/49/76/36/363497636.db2.gz LUFQVYGEOFYMNR-QWRGUYRKSA-N 2 0 242.367 0.330 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)N(C)CC[NH+](C)C)C[NH2+]1 ZINC000627200197 363497948 /nfs/dbraw/zinc/49/79/48/363497948.db2.gz LUFQVYGEOFYMNR-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](C[NH3+])C2)C[NH2+]1 ZINC000627205692 363501701 /nfs/dbraw/zinc/50/17/01/363501701.db2.gz CRDIPIUZRYSWEJ-VWYCJHECSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)N(C)CCC[NH3+])C[NH2+]1 ZINC000627206226 363502084 /nfs/dbraw/zinc/50/20/84/363502084.db2.gz IFHIFABPFSPVCE-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)NC(C)(C)C[NH3+])C[NH2+]1 ZINC000627205450 363502195 /nfs/dbraw/zinc/50/21/95/363502195.db2.gz AANLPEWYSMHUII-IUCAKERBSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)N2CC[NH2+][C@@H](C)C2)C[NH2+]1 ZINC000627207759 363503149 /nfs/dbraw/zinc/50/31/49/363503149.db2.gz TVFRCTVDVYIPDG-OUAUKWLOSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627208550 363504373 /nfs/dbraw/zinc/50/43/73/363504373.db2.gz AOLUSOMKDIDCNX-MMWGEVLESA-N 2 0 240.351 0.258 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627208554 363504454 /nfs/dbraw/zinc/50/44/54/363504454.db2.gz AOLUSOMKDIDCNX-RCWTZXSCSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)N2CCC([NH3+])CC2)C[NH2+]1 ZINC000627207946 363505019 /nfs/dbraw/zinc/50/50/19/363505019.db2.gz UVVCZTAXYZBMGM-ONGXEEELSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)N(C)C2CC([NH3+])C2)C[NH2+]1 ZINC000627209512 363505244 /nfs/dbraw/zinc/50/52/44/363505244.db2.gz GAUYNDAMOZFDRN-VKAADOFISA-N 2 0 240.351 0.258 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000422972579 192532823 /nfs/dbraw/zinc/53/28/23/192532823.db2.gz MGOJVPXEYFPPQV-UPJWGTAASA-N 2 0 241.379 0.031 20 0 BCADRP CC[C@@H]([NH2+][C@H](C)CCO)[C@@H]1CCC[NH2+]1 ZINC000422975239 192534098 /nfs/dbraw/zinc/53/40/98/192534098.db2.gz GGCZQBDQCAPAFE-MXWKQRLJSA-N 2 0 200.326 0.878 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000207820477 356646124 /nfs/dbraw/zinc/64/61/24/356646124.db2.gz DNQGFKUKDWIMFO-LBPRGKRZSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)NC(=O)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088288287 356656222 /nfs/dbraw/zinc/65/62/22/356656222.db2.gz XZJCHIOTPMNMOP-GHMZBOCLSA-N 2 0 225.336 0.052 20 0 BCADRP CCN(CC)C(=O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287608 356657031 /nfs/dbraw/zinc/65/70/31/356657031.db2.gz ARKODCZOKCKNIB-GHMZBOCLSA-N 2 0 225.336 0.006 20 0 BCADRP C[NH2+]Cc1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000675072511 538503212 /nfs/dbraw/zinc/50/32/12/538503212.db2.gz IEKZOKAZIZZOGN-JTQLQIEISA-N 2 0 223.324 0.387 20 0 BCADRP CC(C)([NH3+])c1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000675072878 538503876 /nfs/dbraw/zinc/50/38/76/538503876.db2.gz OGVUMVKEBPHNMT-JTQLQIEISA-N 2 0 237.351 0.862 20 0 BCADRP C[C@@H]1CC[N@H+](CC(C)(C)O)C[C@@H]1C[NH3+] ZINC000167671033 134153640 /nfs/dbraw/zinc/15/36/40/134153640.db2.gz FQHIFZZBPMDKBC-ZJUUUORDSA-N 2 0 200.326 0.674 20 0 BCADRP C[NH+](C)C[C@]1(O)CCCN(Cc2c[nH]cn2)C1 ZINC000639760850 356675703 /nfs/dbraw/zinc/67/57/03/356675703.db2.gz BKKFNCFZVKDHKQ-GFCCVEGCSA-N 2 0 238.335 0.298 20 0 BCADRP CCCCNC(=O)CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167759165 134153750 /nfs/dbraw/zinc/15/37/50/134153750.db2.gz JLRNASZCEPXMEN-NWDGAFQWSA-N 2 0 241.379 0.819 20 0 BCADRP C[C@@H](C(N)=O)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757862 356664808 /nfs/dbraw/zinc/66/48/08/356664808.db2.gz QAYHRVWVMWPHBN-JTQLQIEISA-N 2 0 225.336 0.278 20 0 BCADRP COCC[C@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764276 356690102 /nfs/dbraw/zinc/69/01/02/356690102.db2.gz ZOKADQJMOUEWEJ-STQMWFEESA-N 2 0 244.379 0.800 20 0 BCADRP CCNC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639764259 356690306 /nfs/dbraw/zinc/69/03/06/356690306.db2.gz UNMQYEBDYSPDAJ-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP C[NH+](C)C[C@]1(O)CCCN(C[C@@H]2CCCO2)C1 ZINC000639764628 356690992 /nfs/dbraw/zinc/69/09/92/356690992.db2.gz HQCQLBDDVCBJEV-QWHCGFSZSA-N 2 0 242.363 0.554 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000582251588 356683867 /nfs/dbraw/zinc/68/38/67/356683867.db2.gz ZSIZFHQQNPMAIS-TUAOUCFPSA-N 2 0 241.379 0.973 20 0 BCADRP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[NH2+]CC1 ZINC000035728223 356705957 /nfs/dbraw/zinc/70/59/57/356705957.db2.gz VANDPDIJQGGCAP-CYBMUJFWSA-N 2 0 245.326 0.133 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+](C)C(C)C ZINC000353456654 134163786 /nfs/dbraw/zinc/16/37/86/134163786.db2.gz DNSHDMZAMAKKMA-RYUDHWBXSA-N 2 0 241.379 0.831 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@H](C)O ZINC000578186549 366369732 /nfs/dbraw/zinc/36/97/32/366369732.db2.gz YASLWDIDZOUMPR-MNOVXSKESA-N 2 0 218.341 0.314 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000398065706 538641963 /nfs/dbraw/zinc/64/19/63/538641963.db2.gz JGFUNBAULCLFFB-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP [NH3+]C1CCC(NC(=O)CC2([NH3+])CC2)CC1 ZINC000398070612 538642038 /nfs/dbraw/zinc/64/20/38/538642038.db2.gz LXPDRWDDJSVEIU-UHFFFAOYSA-N 2 0 211.309 0.254 20 0 BCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)C[NH3+])C1 ZINC000357245138 356820537 /nfs/dbraw/zinc/82/05/37/356820537.db2.gz UTHLTOQVBPLNMX-NWDGAFQWSA-N 2 0 241.379 0.675 20 0 BCADRP CNC(=O)CCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623380511 356903909 /nfs/dbraw/zinc/90/39/09/356903909.db2.gz BRIKGQXYYHJLOI-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP CCN1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362361675 356944289 /nfs/dbraw/zinc/94/42/89/356944289.db2.gz ZGOVKOJUUZYEJA-VXGBXAGGSA-N 2 0 239.363 0.348 20 0 BCADRP CCN1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362361674 356944406 /nfs/dbraw/zinc/94/44/06/356944406.db2.gz ZGOVKOJUUZYEJA-RYUDHWBXSA-N 2 0 239.363 0.348 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC000041679625 358513405 /nfs/dbraw/zinc/51/34/05/358513405.db2.gz WQVQBBYOPZFZRK-LLVKDONJSA-N 2 0 229.368 0.962 20 0 BCADRP CC1(C)CN(C(=O)[C@H]2CC23C[NH2+]C3)CC[C@H]1[NH3+] ZINC000368486613 356973532 /nfs/dbraw/zinc/97/35/32/356973532.db2.gz CCVUOGVQQDAZLW-NXEZZACHSA-N 2 0 237.347 0.182 20 0 BCADRP CC[C@@H]1CC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423203119 192626639 /nfs/dbraw/zinc/62/66/39/192626639.db2.gz MAYJPLBHFIZAEK-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C1(C)C[NH2+]C1 ZINC000582296119 357029734 /nfs/dbraw/zinc/02/97/34/357029734.db2.gz RAUKWEYJRGJIRF-SECBINFHSA-N 2 0 213.325 0.086 20 0 BCADRP [NH3+]CCCCC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000582302278 357039842 /nfs/dbraw/zinc/03/98/42/357039842.db2.gz NDZBKQBROFUCTJ-NSHDSACASA-N 2 0 227.352 0.845 20 0 BCADRP CN1C[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1=O ZINC000623393655 357002942 /nfs/dbraw/zinc/00/29/42/357002942.db2.gz MXQYWATUXDOYSM-QWRGUYRKSA-N 2 0 239.363 0.680 20 0 BCADRP CC[NH+](CC)CCCN1CC[N@H+](C)C[C@H]1CO ZINC000639869348 357015429 /nfs/dbraw/zinc/01/54/29/357015429.db2.gz BDFHFJYGEDROSI-ZDUSSCGKSA-N 2 0 243.395 0.327 20 0 BCADRP CC(C)(C)OCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000162362245 357017867 /nfs/dbraw/zinc/01/78/67/357017867.db2.gz XGYWXDLMJGVXAN-GHMZBOCLSA-N 2 0 212.337 0.953 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000390542743 357103336 /nfs/dbraw/zinc/10/33/36/357103336.db2.gz LYLHBVVHOGXLDZ-UWVGGRQHSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000582359154 357103551 /nfs/dbraw/zinc/10/35/51/357103551.db2.gz SHKYOFPKMALLCV-LLVKDONJSA-N 2 0 249.314 0.844 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000390758502 357115324 /nfs/dbraw/zinc/11/53/24/357115324.db2.gz KEPWLMPXRQPTOB-JTQLQIEISA-N 2 0 213.325 0.102 20 0 BCADRP C[C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)[C@H](C)[NH3+] ZINC000390648024 357109464 /nfs/dbraw/zinc/10/94/64/357109464.db2.gz OLSZPLZVSOEHMW-UTLUCORTSA-N 2 0 213.325 0.086 20 0 BCADRP [NH3+]CCCC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000390453564 357093265 /nfs/dbraw/zinc/09/32/65/357093265.db2.gz BWUHVHBACXDBID-SNVBAGLBSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000582358530 357101450 /nfs/dbraw/zinc/10/14/50/357101450.db2.gz BYQQSOQWQWFHRX-VPOLOUISSA-N 2 0 242.367 0.491 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000156769377 535355639 /nfs/dbraw/zinc/35/56/39/535355639.db2.gz YWTZSIMJPDRISI-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000392806184 357234584 /nfs/dbraw/zinc/23/45/84/357234584.db2.gz CKTRVLHYWXYDSD-NEPJUHHUSA-N 2 0 237.347 0.363 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)CCCC[NH3+] ZINC000381451350 357183580 /nfs/dbraw/zinc/18/35/80/357183580.db2.gz HLTVUWGXYXDFND-SNVBAGLBSA-N 2 0 215.341 0.605 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CO)CC1 ZINC000393564975 357287196 /nfs/dbraw/zinc/28/71/96/357287196.db2.gz QBXUWYUQWFJHNK-CHWSQXEVSA-N 2 0 244.379 0.393 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC1=CC[NH2+]CC1 ZINC000393773007 357298504 /nfs/dbraw/zinc/29/85/04/357298504.db2.gz KMYARMCDAWNWCQ-DTWKUNHWSA-N 2 0 211.309 0.006 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)CC1CC[NH2+]CC1 ZINC000393805471 357301150 /nfs/dbraw/zinc/30/11/50/357301150.db2.gz OWVHMWHCVLJKRH-VIFPVBQESA-N 2 0 213.325 0.087 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217384502 357260237 /nfs/dbraw/zinc/26/02/37/357260237.db2.gz DGXKQWNVBIFJGM-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC[N@H+]1CC=CCC1 ZINC000392893980 357262484 /nfs/dbraw/zinc/26/24/84/357262484.db2.gz BOBVVALFGWBJLG-NSHDSACASA-N 2 0 225.336 0.220 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662648652 491110287 /nfs/dbraw/zinc/11/02/87/491110287.db2.gz JDDULGCJXNTBHT-MNOVXSKESA-N 2 0 239.363 0.762 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000582544376 357330914 /nfs/dbraw/zinc/33/09/14/357330914.db2.gz KASGXXOZCXIQPZ-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000582664216 357357641 /nfs/dbraw/zinc/35/76/41/357357641.db2.gz AOKPPGNSGPNCIB-GHMZBOCLSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000582664219 357357821 /nfs/dbraw/zinc/35/78/21/357357821.db2.gz AOKPPGNSGPNCIB-WDEREUQCSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000582664217 357358094 /nfs/dbraw/zinc/35/80/94/357358094.db2.gz AOKPPGNSGPNCIB-MNOVXSKESA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000582667752 357359429 /nfs/dbraw/zinc/35/94/29/357359429.db2.gz ZYCXYINERFMSAW-XKSSXDPKSA-N 2 0 213.325 0.356 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]([NH3+])C1CCC1 ZINC000582667751 357359482 /nfs/dbraw/zinc/35/94/82/357359482.db2.gz ZYCXYINERFMSAW-QXFUBDJGSA-N 2 0 213.325 0.356 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)c2coc(C[NH3+])c2)C1 ZINC000582784415 357391880 /nfs/dbraw/zinc/39/18/80/357391880.db2.gz XRDCSIGDAYZISJ-JTQLQIEISA-N 2 0 237.303 0.562 20 0 BCADRP C[C@H]([NH3+])CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000582786962 357394338 /nfs/dbraw/zinc/39/43/38/357394338.db2.gz RDKLWANZZSFXCD-WCFLWFBJSA-N 2 0 241.379 0.552 20 0 BCADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000582839320 357412055 /nfs/dbraw/zinc/41/20/55/357412055.db2.gz VTIXXRFLUBCHGS-CMPLNLGQSA-N 3 0 211.353 0.716 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]C ZINC000582844349 357414821 /nfs/dbraw/zinc/41/48/21/357414821.db2.gz JBYGEQPUXWLWJO-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP CN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000582904075 357426938 /nfs/dbraw/zinc/42/69/38/357426938.db2.gz YEAJRIOUJKBYMU-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000582975715 357449995 /nfs/dbraw/zinc/44/99/95/357449995.db2.gz PSAQEMZADNTXCL-GXSJLCMTSA-N 2 0 245.392 0.148 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000583074211 357473091 /nfs/dbraw/zinc/47/30/91/357473091.db2.gz PGPWTBUVFBYNIB-VHSXEESVSA-N 2 0 230.356 0.409 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)co1 ZINC000583084009 357474450 /nfs/dbraw/zinc/47/44/50/357474450.db2.gz QSCHDECQLJYQSB-WPRPVWTQSA-N 2 0 237.303 0.596 20 0 BCADRP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000583084340 357475220 /nfs/dbraw/zinc/47/52/20/357475220.db2.gz OZHXXXKLLFUEFD-UTUOFQBUSA-N 3 0 209.337 0.137 20 0 BCADRP C[C@@]1(CN2CC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]C1 ZINC000583084896 357475251 /nfs/dbraw/zinc/47/52/51/357475251.db2.gz RHXVENSYSDAHFY-GRYCIOLGSA-N 2 0 209.337 0.280 20 0 BCADRP O=C(NCCC[NH+]1CCCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188699099 357572690 /nfs/dbraw/zinc/57/26/90/357572690.db2.gz WSRRMOUAMHLUTA-WDEREUQCSA-N 2 0 243.326 0.289 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000230712062 357573551 /nfs/dbraw/zinc/57/35/51/357573551.db2.gz JIBQYCVBIUTFMO-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[NH+](C)CC[C@H]([NH2+]CCC(N)=O)C(C)(C)C ZINC000583199362 357516321 /nfs/dbraw/zinc/51/63/21/357516321.db2.gz MEGNRMVXXDZDJK-JTQLQIEISA-N 2 0 229.368 0.818 20 0 BCADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000583198125 357517502 /nfs/dbraw/zinc/51/75/02/357517502.db2.gz HMJOFDOYSWLAOJ-LFHLZQBKSA-N 2 0 245.370 0.752 20 0 BCADRP CNC(=O)CC[N@H+](C)CCC[NH+]1CCCCC1 ZINC000188212892 357535049 /nfs/dbraw/zinc/53/50/49/357535049.db2.gz GWNBKTGWYADRMM-UHFFFAOYSA-N 2 0 241.379 0.930 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000397612432 357627671 /nfs/dbraw/zinc/62/76/71/357627671.db2.gz SAYRSBMBGMRBIR-NWDGAFQWSA-N 3 0 241.379 0.303 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000082771986 491112617 /nfs/dbraw/zinc/11/26/17/491112617.db2.gz BQMXINTYXCUQRB-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000040469071 357609367 /nfs/dbraw/zinc/60/93/67/357609367.db2.gz RTFREHCGZIXSED-IUCAKERBSA-N 2 0 233.381 0.133 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)CCO1 ZINC000231676235 357619731 /nfs/dbraw/zinc/61/97/31/357619731.db2.gz BRIPWSTZDHTMBB-NEPJUHHUSA-N 2 0 230.352 0.722 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN(C)C2CC2)CS1 ZINC000397709614 357647196 /nfs/dbraw/zinc/64/71/96/357647196.db2.gz BTIBEWUQCNQDFT-CKYFFXLPSA-N 2 0 244.404 0.925 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH3+])[C@@H](C)[NH3+] ZINC000583262647 357750627 /nfs/dbraw/zinc/75/06/27/357750627.db2.gz NGNUXYKOWTUHHT-HLTSFMKQSA-N 2 0 201.314 0.069 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)CS1 ZINC000397584194 363587721 /nfs/dbraw/zinc/58/77/21/363587721.db2.gz GOBBRWRHISNXAM-MNOVXSKESA-N 2 0 244.404 0.927 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCOCC[NH+](C)C ZINC000234019387 357768103 /nfs/dbraw/zinc/76/81/03/357768103.db2.gz GWMBNQDZEWDBRF-WDEREUQCSA-N 2 0 245.367 0.054 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH3+])C1 ZINC000659521951 491115287 /nfs/dbraw/zinc/11/52/87/491115287.db2.gz XXYPPZIWJBHLGY-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC000086065349 357809166 /nfs/dbraw/zinc/80/91/66/357809166.db2.gz BOHLZRNLRYWTPG-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CC1(CO)CCCC1 ZINC000234779729 357827915 /nfs/dbraw/zinc/82/79/15/357827915.db2.gz BDIPQVZPWTVNMP-LBPRGKRZSA-N 2 0 244.379 0.883 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CCC[NH+]1CCCC1 ZINC000234782870 357829013 /nfs/dbraw/zinc/82/90/13/357829013.db2.gz LVSCWJBBIGJCIW-ZDUSSCGKSA-N 3 0 243.395 0.816 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000399074927 357894509 /nfs/dbraw/zinc/89/45/09/357894509.db2.gz PGBXTAREBUBFHU-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000583321410 357903035 /nfs/dbraw/zinc/90/30/35/357903035.db2.gz HIVYMYBCTHVSQL-QJPTWQEYSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+]CCC(=O)N1CCC(CC[NH2+]C)CC1 ZINC000583321253 357903071 /nfs/dbraw/zinc/90/30/71/357903071.db2.gz VQYOUAOFEBZCDF-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000583321200 357903491 /nfs/dbraw/zinc/90/34/91/357903491.db2.gz QXVOJGPFFKZRFT-JTQLQIEISA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)CC2CC[NH2+]CC2)C1 ZINC000584412271 357915166 /nfs/dbraw/zinc/91/51/66/357915166.db2.gz WKCXGZOFLGUQST-NWDGAFQWSA-N 2 0 239.363 0.620 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)CC[NH2+]C1CC1 ZINC000584420509 357918339 /nfs/dbraw/zinc/91/83/39/357918339.db2.gz LEZDSQPSILHUTN-JTQLQIEISA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H](C(=O)NCCC[C@H]1CCC[NH2+]1)[C@H](C)[NH3+] ZINC000583747614 357933454 /nfs/dbraw/zinc/93/34/54/357933454.db2.gz NFBOFOFLINLVHG-OUAUKWLOSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000584474992 357991229 /nfs/dbraw/zinc/99/12/29/357991229.db2.gz PRKGYIYDSLUGPG-QWRGUYRKSA-N 2 0 246.376 0.168 20 0 BCADRP C[NH2+]CCCN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000584530510 358042522 /nfs/dbraw/zinc/04/25/22/358042522.db2.gz VGTXYKHGHFRNFA-GFCCVEGCSA-N 2 0 241.379 0.283 20 0 BCADRP CC[NH+]1CCC(CCNC(=O)[C@H](C)[NH3+])CC1 ZINC000168711860 134246590 /nfs/dbraw/zinc/24/65/90/134246590.db2.gz SHQHLLSPVJCFGD-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000662965674 491119641 /nfs/dbraw/zinc/11/96/41/491119641.db2.gz SJLCCODATSOMKF-MFKMUULPSA-N 2 0 235.331 0.585 20 0 BCADRP [NH3+][C@H]1CCc2ncc(NC(=O)C3([NH3+])CC3)cc2C1 ZINC000584524441 358038965 /nfs/dbraw/zinc/03/89/65/358038965.db2.gz FBXSLZYFHUEYHB-VIFPVBQESA-N 2 0 246.314 0.327 20 0 BCADRP C[NH+]1CCC(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000221265177 358069577 /nfs/dbraw/zinc/06/95/77/358069577.db2.gz QLAZUNLBMZRPFZ-UHFFFAOYSA-N 2 0 239.363 0.444 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC1CC[NH+](C)CC1 ZINC000037480166 358072681 /nfs/dbraw/zinc/07/26/81/358072681.db2.gz GLRIMKRCERFRSQ-UHFFFAOYSA-N 2 0 227.352 0.585 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)C1CCOCC1 ZINC000037482602 358072980 /nfs/dbraw/zinc/07/29/80/358072980.db2.gz DEPIGBZYLFMURX-UHFFFAOYSA-N 2 0 227.352 0.002 20 0 BCADRP C[C@@H]1C[NH+](CC2CC[NH2+]CC2)C[C@@H](C)N1 ZINC000169110801 134249203 /nfs/dbraw/zinc/24/92/03/134249203.db2.gz ZHTOUSYTAYNHJR-GHMZBOCLSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C[NH2+]C1CC1 ZINC000037609200 358083388 /nfs/dbraw/zinc/08/33/88/358083388.db2.gz WBGIFCPSKQWAEF-LLVKDONJSA-N 2 0 239.363 0.729 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000037643512 358084888 /nfs/dbraw/zinc/08/48/88/358084888.db2.gz CYFGOKGRGHEJEJ-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP CN(C(=O)[C@]1(C)CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000584580435 358085797 /nfs/dbraw/zinc/08/57/97/358085797.db2.gz WBJOLPHYXFPDMJ-ZYHUDNBSSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217810239 134250735 /nfs/dbraw/zinc/25/07/35/134250735.db2.gz MBDZZULCUKOODP-AXFHLTTASA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+]CC[C@@H](N[C@@H]1CCC[NH2+]C1)C(F)F ZINC000584593661 358110800 /nfs/dbraw/zinc/11/08/00/358110800.db2.gz LNSSEDTWMOJNCL-HTQZYQBOSA-N 2 0 207.268 0.311 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CC[NH+](CC2CC2)CC1 ZINC000037816828 358094353 /nfs/dbraw/zinc/09/43/53/358094353.db2.gz TVPHIWXSLNOJKV-UHFFFAOYSA-N 2 0 237.347 0.293 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCCCC[NH2+]1 ZINC000669521304 491123044 /nfs/dbraw/zinc/12/30/44/491123044.db2.gz KUJVRYIRUWMRJW-GARJFASQSA-N 2 0 225.336 0.467 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000613659533 363599379 /nfs/dbraw/zinc/59/93/79/363599379.db2.gz ALSWVNOFCKPYCV-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP CO[C@@]1(C[NH2+]CCC[NH+]2CCCC2)CCOC1 ZINC000160330090 358136716 /nfs/dbraw/zinc/13/67/16/358136716.db2.gz XKXAWJIVOQDTIB-CYBMUJFWSA-N 2 0 242.363 0.867 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000086271809 491123766 /nfs/dbraw/zinc/12/37/66/491123766.db2.gz GBIFPLHHKPLNHI-PMUOWJKOSA-N 2 0 225.336 0.371 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000584721245 358162144 /nfs/dbraw/zinc/16/21/44/358162144.db2.gz LSZBOXHRHIITHJ-YPMHNXCESA-N 2 0 235.331 0.022 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000584783347 358177232 /nfs/dbraw/zinc/17/72/32/358177232.db2.gz QQQJAWHIBMDOLP-AXFHLTTASA-N 2 0 225.336 0.180 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000584790475 358180274 /nfs/dbraw/zinc/18/02/74/358180274.db2.gz OXEPFCSLLUPPHM-NEPJUHHUSA-N 2 0 241.379 0.831 20 0 BCADRP Cc1ncc(CN[C@H](C)[C@H]2CCC[NH2+]2)c(=O)[nH]1 ZINC000584714880 358159669 /nfs/dbraw/zinc/15/96/69/358159669.db2.gz KTIDKDLRQPSYGQ-LDYMZIIASA-N 2 0 236.319 0.721 20 0 BCADRP C[C@@H](C[NH3+])C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000584833605 358196108 /nfs/dbraw/zinc/19/61/08/358196108.db2.gz FZHDNDPKILWOJS-WPRPVWTQSA-N 2 0 248.330 0.431 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000086068380 358209600 /nfs/dbraw/zinc/20/96/00/358209600.db2.gz UVGQOIGIFNNDDD-WDEREUQCSA-N 2 0 227.352 0.300 20 0 BCADRP COCCN(C)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000223005808 358214067 /nfs/dbraw/zinc/21/40/67/358214067.db2.gz NONJGOKILBTKDM-VXGBXAGGSA-N 2 0 229.368 0.424 20 0 BCADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(=O)N(C)C ZINC000222925287 358216213 /nfs/dbraw/zinc/21/62/13/358216213.db2.gz ZCOIUHWYKISFMP-IVZWLZJFSA-N 2 0 213.325 0.323 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000041680233 358333814 /nfs/dbraw/zinc/33/38/14/358333814.db2.gz COOCPRNXTVBMSO-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP [NH3+]CC1(CCNC(=O)C[NH2+]CC2CC2)CC1 ZINC000653215855 491128394 /nfs/dbraw/zinc/12/83/94/491128394.db2.gz FDVWPTZQKXZSOY-UHFFFAOYSA-N 2 0 225.336 0.231 20 0 BCADRP CC(C)OC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226875023 358346843 /nfs/dbraw/zinc/34/68/43/358346843.db2.gz XBRAAYKMEQSXBP-RWMBFGLXSA-N 2 0 244.379 0.845 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)NCCC[NH3+] ZINC000228501996 358377654 /nfs/dbraw/zinc/37/76/54/358377654.db2.gz MQJFVJQYQNCBSD-UHFFFAOYSA-N 2 0 235.331 0.527 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH3+] ZINC000227833435 358364549 /nfs/dbraw/zinc/36/45/49/358364549.db2.gz GOAQMIDBCPXMFT-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000228610306 358381488 /nfs/dbraw/zinc/38/14/88/358381488.db2.gz HMQSQMKLXQZWDF-WOPDTQHZSA-N 2 0 241.379 0.816 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000230711448 358410442 /nfs/dbraw/zinc/41/04/42/358410442.db2.gz DTPBNZFEANKXPE-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP CC[NH+]1CCC(CNC(=O)C[NH2+]C2CC2)CC1 ZINC000044526769 358389565 /nfs/dbraw/zinc/38/95/65/358389565.db2.gz UEQIVUOVDJDGRY-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000044538743 358389643 /nfs/dbraw/zinc/38/96/43/358389643.db2.gz WPGGNRSQEOXZPR-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC1CC[NH+](CC)CC1 ZINC000044526767 358389670 /nfs/dbraw/zinc/38/96/70/358389670.db2.gz XJPWRIKNWLYRIA-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH+]1CCC(CNC(=O)CC[NH2+]C2CC2)CC1 ZINC000044526647 358389900 /nfs/dbraw/zinc/38/99/00/358389900.db2.gz CXLZOEADFYIYNF-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044538935 358390613 /nfs/dbraw/zinc/39/06/13/358390613.db2.gz YRRBAEBKCVGKKH-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044539020 358391086 /nfs/dbraw/zinc/39/10/86/358391086.db2.gz CDQDPOUOPUUIKD-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP CNC(=O)C(C)(C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000230385217 358397852 /nfs/dbraw/zinc/39/78/52/358397852.db2.gz RUVSKRSVOVEPFI-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH+](C)CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174319623 134280402 /nfs/dbraw/zinc/28/04/02/134280402.db2.gz JZMXCVVJCRXULC-LBPRGKRZSA-N 2 0 239.363 0.492 20 0 BCADRP CCN(C)C(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000299997495 358421392 /nfs/dbraw/zinc/42/13/92/358421392.db2.gz UVBDZBXVOBMXEM-DCAQKATOSA-N 2 0 227.352 0.713 20 0 BCADRP CO[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CC[C@H]1C ZINC000299991049 358421402 /nfs/dbraw/zinc/42/14/02/358421402.db2.gz CYVDYUQFNDELQS-CHWSQXEVSA-N 2 0 241.379 0.248 20 0 BCADRP CC(C)([NH3+])CNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000418418981 358432682 /nfs/dbraw/zinc/43/26/82/358432682.db2.gz YNZPNWXVFZAXIN-UHFFFAOYSA-N 2 0 242.367 0.413 20 0 BCADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1nccn1C ZINC000219309984 134281461 /nfs/dbraw/zinc/28/14/61/134281461.db2.gz CSUIMAQEFVSOCX-LLVKDONJSA-N 2 0 240.351 0.649 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726823 358552805 /nfs/dbraw/zinc/55/28/05/358552805.db2.gz VIUWAHVYCOLJPD-ONGXEEELSA-N 2 0 225.336 0.467 20 0 BCADRP CC[C@H](CO)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000219372083 134281653 /nfs/dbraw/zinc/28/16/53/134281653.db2.gz WNDHGJBZHXQZDZ-AXFHLTTASA-N 2 0 200.326 0.864 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000086270525 358562997 /nfs/dbraw/zinc/56/29/97/358562997.db2.gz IXNKWTCVSMPHEV-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+](C)C1CC1 ZINC000086271922 358573734 /nfs/dbraw/zinc/57/37/34/358573734.db2.gz GFBFLVOYQARZMK-KOLCDFICSA-N 2 0 225.336 0.195 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129621859 358590666 /nfs/dbraw/zinc/59/06/66/358590666.db2.gz NBCLOVBDNGNJDE-YIBTVLSRSA-N 2 0 237.347 0.528 20 0 BCADRP [NH3+][C@H](C(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000131673134 358687929 /nfs/dbraw/zinc/68/79/29/358687929.db2.gz KGRMHHUFDKUBGT-MNOVXSKESA-N 2 0 219.288 0.165 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000049559645 358695417 /nfs/dbraw/zinc/69/54/17/358695417.db2.gz VYWYJENXRJJBEP-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP COCCOCC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000133304377 358750565 /nfs/dbraw/zinc/75/05/65/358750565.db2.gz GXLMESRXZJRBBR-GFCCVEGCSA-N 2 0 232.368 0.955 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000133364969 358751609 /nfs/dbraw/zinc/75/16/09/358751609.db2.gz LBVONRVFQBEQOF-ZYHUDNBSSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000158461767 358735255 /nfs/dbraw/zinc/73/52/55/358735255.db2.gz RNZGXDHMGUGMJS-ZJUUUORDSA-N 2 0 211.309 0.078 20 0 BCADRP CC[C@@]1(C(=O)NC[C@@H]([NH3+])C(C)C)CCC[NH2+]1 ZINC000134368774 358788740 /nfs/dbraw/zinc/78/87/40/358788740.db2.gz NIPKBGNPLDMFAE-PWSUYJOCSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@H](O)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000578232230 366463553 /nfs/dbraw/zinc/46/35/53/366463553.db2.gz MKXGRPSKTJUVFB-ZDUSSCGKSA-N 2 0 243.395 0.373 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000578236435 366464453 /nfs/dbraw/zinc/46/44/53/366464453.db2.gz RKCGOHUEWQBXTE-GHMZBOCLSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCOCCO ZINC000134725174 358803826 /nfs/dbraw/zinc/80/38/26/358803826.db2.gz HJWWAFUBFJRFOT-RYUDHWBXSA-N 2 0 230.352 0.315 20 0 BCADRP [NH3+][C@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)C1CC1 ZINC000578236515 366465120 /nfs/dbraw/zinc/46/51/20/366465120.db2.gz XVXFCVVRPAZBDO-CYBMUJFWSA-N 2 0 245.326 0.757 20 0 BCADRP OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134871853 358809309 /nfs/dbraw/zinc/80/93/09/358809309.db2.gz HBLRCYCVDMDGMP-AAEUAGOBSA-N 2 0 224.348 0.927 20 0 BCADRP C[C@H]1CCN(C(=O)c2c[nH+]ccc2N)C[C@H]1C[NH3+] ZINC000564083758 358849855 /nfs/dbraw/zinc/84/98/55/358849855.db2.gz BHMYFJCCWSGLSG-VHSXEESVSA-N 2 0 248.330 0.551 20 0 BCADRP C[NH+](C)CCC1CC[NH+](CC(N)=O)CC1 ZINC000056522689 358898983 /nfs/dbraw/zinc/89/89/83/358898983.db2.gz SKNDEKUADYJVSG-UHFFFAOYSA-N 2 0 213.325 0.135 20 0 BCADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(=O)N(C)C ZINC000086402894 358967497 /nfs/dbraw/zinc/96/74/97/358967497.db2.gz ZCOIUHWYKISFMP-LPEHRKFASA-N 2 0 213.325 0.323 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000086403567 358968680 /nfs/dbraw/zinc/96/86/80/358968680.db2.gz IXCQEDLFJKORDB-GHMZBOCLSA-N 2 0 208.309 0.743 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000059931329 358921451 /nfs/dbraw/zinc/92/14/51/358921451.db2.gz JDVYZIMSOMSAJR-LLVKDONJSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000059930677 358921497 /nfs/dbraw/zinc/92/14/97/358921497.db2.gz ICJBDDOUTDVTCA-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP C[N@H+](CCOCC[NH3+])C1CCOCC1 ZINC000086435416 358976731 /nfs/dbraw/zinc/97/67/31/358976731.db2.gz ZFMUXPCGEBWXAY-UHFFFAOYSA-N 2 0 202.298 0.073 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)C1CC[NH2+]CC1 ZINC000061645009 358936034 /nfs/dbraw/zinc/93/60/34/358936034.db2.gz CWEGHCYKXCXQDO-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@H](C(N)=O)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000061679220 358936316 /nfs/dbraw/zinc/93/63/16/358936316.db2.gz NBIJIPXZCXICAE-LLVKDONJSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623433056 358946704 /nfs/dbraw/zinc/94/67/04/358946704.db2.gz YJRDYOPIXZDDFC-VHSXEESVSA-N 2 0 200.326 0.830 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000070315526 359049401 /nfs/dbraw/zinc/04/94/01/359049401.db2.gz CYCUXMXHVSZRAI-SDDRHHMPSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000070315524 359049883 /nfs/dbraw/zinc/04/98/83/359049883.db2.gz CYCUXMXHVSZRAI-QJPTWQEYSA-N 2 0 239.363 0.857 20 0 BCADRP CNC(=O)CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000072982113 359094025 /nfs/dbraw/zinc/09/40/25/359094025.db2.gz SFERRZTWWDNPCL-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP Cc1c[nH+]ccc1N1CCC[N@H+](CCO)CC1 ZINC000070489807 359057685 /nfs/dbraw/zinc/05/76/85/359057685.db2.gz UBHDZDCEDDTBNN-UHFFFAOYSA-N 2 0 235.331 0.894 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000423362037 192731721 /nfs/dbraw/zinc/73/17/21/192731721.db2.gz ARSSPTCPQAEQAF-WZRBSPASSA-N 2 0 237.347 0.291 20 0 BCADRP COC[C@]1(CN[C@H](C)[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000423417503 192749115 /nfs/dbraw/zinc/74/91/15/192749115.db2.gz SLWBUMZFOKQTSH-JHJVBQTASA-N 2 0 241.379 0.485 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N(CC[NH+](C)C)C1CC1 ZINC000572282744 359349417 /nfs/dbraw/zinc/34/94/17/359349417.db2.gz LPCSMSHKFVCYBJ-SNVBAGLBSA-N 2 0 227.352 0.666 20 0 BCADRP CC1(C(=O)Nc2ccc(OCC[NH3+])cc2)C[NH2+]C1 ZINC000423518257 192802043 /nfs/dbraw/zinc/80/20/43/192802043.db2.gz ZJLLOHCHVYIDNV-UHFFFAOYSA-N 2 0 249.314 0.572 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH3+])[C@@H](C)[NH3+] ZINC000423531048 192805275 /nfs/dbraw/zinc/80/52/75/192805275.db2.gz QAJCMRGIQHFTFP-OPRDCNLKSA-N 2 0 215.341 0.459 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000574987672 359522508 /nfs/dbraw/zinc/52/25/08/359522508.db2.gz JSOLXCNKYBLZPS-KOLCDFICSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCCC[NH3+] ZINC000580442575 359551687 /nfs/dbraw/zinc/55/16/87/359551687.db2.gz HDESNAVZIHQBMH-DTWKUNHWSA-N 2 0 216.329 0.150 20 0 BCADRP C[NH+](C)C[C@](C)(O)C[NH2+]CC1(C)CC1 ZINC000379586907 359560775 /nfs/dbraw/zinc/56/07/75/359560775.db2.gz RPFPORFUWAWZIO-LLVKDONJSA-N 2 0 200.326 0.689 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000423744141 192826555 /nfs/dbraw/zinc/82/65/55/192826555.db2.gz NGGRKMYVJIYYSC-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP COC(=O)CN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404333166 359577896 /nfs/dbraw/zinc/57/78/96/359577896.db2.gz ZWFLPRLQCZHXPP-UWVGGRQHSA-N 2 0 214.309 0.609 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)CC[NH2+]C ZINC000423768646 192833319 /nfs/dbraw/zinc/83/33/19/192833319.db2.gz FLXWNVJBUWPWDV-NSHDSACASA-N 2 0 229.368 0.833 20 0 BCADRP COC(=O)CN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404333169 359578320 /nfs/dbraw/zinc/57/83/20/359578320.db2.gz ZWFLPRLQCZHXPP-ZJUUUORDSA-N 2 0 214.309 0.609 20 0 BCADRP [NH3+]C[C@H](NC(=O)CC1(C[NH3+])CC1)C1CCCC1 ZINC000423970237 192851093 /nfs/dbraw/zinc/85/10/93/192851093.db2.gz WRVDELHTVMYBLI-NSHDSACASA-N 2 0 239.363 0.749 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424062373 192858158 /nfs/dbraw/zinc/85/81/58/192858158.db2.gz VFQOINKQPBSETO-IMSYWVGJSA-N 2 0 211.309 0.062 20 0 BCADRP CS[C@H](C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000122018982 359675493 /nfs/dbraw/zinc/67/54/93/359675493.db2.gz FDDUINQHYDCEPG-MNOVXSKESA-N 2 0 232.393 0.784 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000578361714 366539530 /nfs/dbraw/zinc/53/95/30/366539530.db2.gz PEFWAZWBQVRTDU-LLVKDONJSA-N 2 0 219.288 0.123 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000578426118 366564979 /nfs/dbraw/zinc/56/49/79/366564979.db2.gz PZIWTQXBBZWHRV-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP O=C(C[NH2+]C1CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000578489193 366579007 /nfs/dbraw/zinc/57/90/07/366579007.db2.gz LRSJKKPZDBTBNJ-LLVKDONJSA-N 2 0 223.320 0.091 20 0 BCADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](C)O)CC1 ZINC000578499553 366580536 /nfs/dbraw/zinc/58/05/36/366580536.db2.gz QMYVXHVTJSXJMY-STQMWFEESA-N 2 0 243.395 0.230 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]([NH3+])CCSC ZINC000087471665 366583401 /nfs/dbraw/zinc/58/34/01/366583401.db2.gz YAEVCYQJABMYNV-VIFPVBQESA-N 2 0 233.381 0.135 20 0 BCADRP [NH3+]C1(c2noc([C@@]3(F)CC[NH2+]C3)n2)CCC1 ZINC000578532090 366592523 /nfs/dbraw/zinc/59/25/23/366592523.db2.gz ZMHBALMDHHQQIS-SECBINFHSA-N 2 0 226.255 0.566 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000578533966 366593746 /nfs/dbraw/zinc/59/37/46/366593746.db2.gz FEEXKZDKFGMOJO-JTQLQIEISA-N 2 0 248.330 0.695 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000088091211 359937489 /nfs/dbraw/zinc/93/74/89/359937489.db2.gz ZCHJCGYUQQDBTN-GMTAPVOTSA-N 2 0 225.336 0.276 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH3+])[C@H]2C1 ZINC000578766542 366643509 /nfs/dbraw/zinc/64/35/09/366643509.db2.gz ZLBLTTYXOMFAOG-NEPJUHHUSA-N 2 0 239.363 0.668 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)CCCC[NH3+])[C@H]2C1 ZINC000578766544 366644159 /nfs/dbraw/zinc/64/41/59/366644159.db2.gz ZLBLTTYXOMFAOG-RYUDHWBXSA-N 2 0 239.363 0.668 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)NC1C[NH2+]C1 ZINC000578865177 366660627 /nfs/dbraw/zinc/66/06/27/366660627.db2.gz VOTJDPICHRNPEZ-SNVBAGLBSA-N 2 0 240.351 0.036 20 0 BCADRP C[C@]1(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000612921369 360181911 /nfs/dbraw/zinc/18/19/11/360181911.db2.gz QYNFSNBNROLQEL-FOGDFJRCSA-N 2 0 240.351 0.308 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)N[C@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000612922055 360182743 /nfs/dbraw/zinc/18/27/43/360182743.db2.gz ATOCZPNBYGVHEQ-CKYFFXLPSA-N 2 0 240.351 0.178 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612913746 360185132 /nfs/dbraw/zinc/18/51/32/360185132.db2.gz DHKBLDKBDZOBMY-LBPRGKRZSA-N 2 0 242.367 0.426 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612923544 360193925 /nfs/dbraw/zinc/19/39/25/360193925.db2.gz CVMJUHGSSRIWRE-CMPLNLGQSA-N 2 0 242.367 0.555 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612923547 360194229 /nfs/dbraw/zinc/19/42/29/360194229.db2.gz CVMJUHGSSRIWRE-PWSUYJOCSA-N 2 0 242.367 0.555 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612995170 360249311 /nfs/dbraw/zinc/24/93/11/360249311.db2.gz WQRHFHKQINWZRI-ZJUUUORDSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCC[NH3+] ZINC000094447092 360308081 /nfs/dbraw/zinc/30/80/81/360308081.db2.gz JEDOTZQUTDJMHG-VXGBXAGGSA-N 2 0 239.363 0.811 20 0 BCADRP [NH3+]Cc1cc(C(=O)NC2(C[NH3+])CCCC2)co1 ZINC000514863584 360416529 /nfs/dbraw/zinc/41/65/29/360416529.db2.gz CJYZONUOEOWDMX-UHFFFAOYSA-N 2 0 237.303 0.740 20 0 BCADRP C[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000306588949 360494585 /nfs/dbraw/zinc/49/45/85/360494585.db2.gz WGPXBAIVRMIXDW-NAKRPEOUSA-N 2 0 200.326 0.672 20 0 BCADRP CCN(CC[NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000626950555 360529627 /nfs/dbraw/zinc/52/96/27/360529627.db2.gz URXUARBYGQDBQG-JTQLQIEISA-N 2 0 228.340 0.071 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@H](C)C[NH2+]C ZINC000449118082 200658927 /nfs/dbraw/zinc/65/89/27/200658927.db2.gz WSTHSOVCSVACNR-NXEZZACHSA-N 2 0 215.341 0.346 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]([NH3+])CC(C)C ZINC000154788748 360851383 /nfs/dbraw/zinc/85/13/83/360851383.db2.gz VWFZEHNAWYDZQI-UWVGGRQHSA-N 2 0 215.341 0.332 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C[C@H](C)[NH3+] ZINC000431012958 192899999 /nfs/dbraw/zinc/89/99/99/192899999.db2.gz HFVDDDBCNRBMPR-QWRGUYRKSA-N 2 0 245.367 0.197 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000431061290 192903184 /nfs/dbraw/zinc/90/31/84/192903184.db2.gz JVLVJJZMYIBXPC-VXGBXAGGSA-N 2 0 239.363 0.811 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418433803 200841796 /nfs/dbraw/zinc/84/17/96/200841796.db2.gz DOOBVBVYXAFPAS-GHMZBOCLSA-N 2 0 244.383 0.657 20 0 BCADRP Cc1n[nH]c(C)c1C[NH2+]CCOCCC[NH3+] ZINC000629398884 361045818 /nfs/dbraw/zinc/04/58/18/361045818.db2.gz IUEZRVAYGAHHIZ-UHFFFAOYSA-N 2 0 226.324 0.482 20 0 BCADRP Cc1nn(C)cc1C[NH2+]CCOCCC[NH3+] ZINC000629399305 361046615 /nfs/dbraw/zinc/04/66/15/361046615.db2.gz OPECVMRHQDDXCB-UHFFFAOYSA-N 2 0 226.324 0.184 20 0 BCADRP CCn1cc(C[NH2+]CCOCCC[NH3+])cn1 ZINC000629399569 361050620 /nfs/dbraw/zinc/05/06/20/361050620.db2.gz VBGPOLDHEUNQCT-UHFFFAOYSA-N 2 0 226.324 0.358 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000629400440 361051619 /nfs/dbraw/zinc/05/16/19/361051619.db2.gz XWUZGTXQESRURT-QWHCGFSZSA-N 3 0 241.379 0.568 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424177584 200877592 /nfs/dbraw/zinc/87/75/92/200877592.db2.gz PWGKHFLLOQSRJP-AEJSXWLSSA-N 2 0 211.309 0.064 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424217471 200891311 /nfs/dbraw/zinc/89/13/11/200891311.db2.gz LQWOHKFRXVHGPJ-DDHJBXDOSA-N 2 0 239.363 0.748 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NCC1([NH3+])CCOCC1 ZINC000629518883 361118760 /nfs/dbraw/zinc/11/87/60/361118760.db2.gz CHKJVYFHORXAQR-VXGBXAGGSA-N 2 0 241.379 0.601 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424248483 200893585 /nfs/dbraw/zinc/89/35/85/200893585.db2.gz UVFJTWULISQOIA-LNFKQOIKSA-N 2 0 225.336 0.500 20 0 BCADRP C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)C1C[NH2+]C1 ZINC000629519857 361119840 /nfs/dbraw/zinc/11/98/40/361119840.db2.gz RQABBCHHOAHBGQ-ONGXEEELSA-N 2 0 247.333 0.913 20 0 BCADRP CCn1nnc(C)c1C[NH+]1CCC(C[NH3+])CC1 ZINC000629509255 361103221 /nfs/dbraw/zinc/10/32/21/361103221.db2.gz KLEYCHUNSCSXQQ-UHFFFAOYSA-N 2 0 237.351 0.777 20 0 BCADRP C[N@H+](CCOC1CCOCC1)C1CC[NH2+]CC1 ZINC000629509094 361103302 /nfs/dbraw/zinc/10/33/02/361103302.db2.gz IWQZLYACJRMPPH-UHFFFAOYSA-N 2 0 242.363 0.866 20 0 BCADRP CCn1nncc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000629509492 361103596 /nfs/dbraw/zinc/10/35/96/361103596.db2.gz ABIGHJLRSNABRA-SNVBAGLBSA-N 2 0 225.340 0.905 20 0 BCADRP CCO[C@H](CN1CCO[C@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000629512670 361107707 /nfs/dbraw/zinc/10/77/07/361107707.db2.gz BPJNTWOAZSCDIQ-KGYLQXTDSA-N 2 0 242.363 0.850 20 0 BCADRP [NH3+]C1(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000366634180 181323734 /nfs/dbraw/zinc/32/37/34/181323734.db2.gz UVPVZEMIKJSDPH-MNOVXSKESA-N 2 0 237.347 0.468 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccnc1N ZINC000629516502 361113820 /nfs/dbraw/zinc/11/38/20/361113820.db2.gz ILZYWBZVCGVBII-VHSXEESVSA-N 2 0 220.320 0.833 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOC1CCOCC1 ZINC000629516542 361115484 /nfs/dbraw/zinc/11/54/84/361115484.db2.gz JUOJRSAUIYVFKN-NEPJUHHUSA-N 2 0 242.363 0.851 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](CCC[NH3+])COC ZINC000629527808 361134151 /nfs/dbraw/zinc/13/41/51/361134151.db2.gz GTMFBGSKBZUBSD-GRYCIOLGSA-N 2 0 229.368 0.470 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000629527602 361134364 /nfs/dbraw/zinc/13/43/64/361134364.db2.gz AAVWYDRVKKAFAY-WHOHXGKFSA-N 2 0 211.353 0.986 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000629527648 361134371 /nfs/dbraw/zinc/13/43/71/361134371.db2.gz BDOXWLTVDQFPKY-WRWGMCAJSA-N 2 0 211.353 0.857 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000629528048 361135365 /nfs/dbraw/zinc/13/53/65/361135365.db2.gz NNTILMXEHDCAKW-FVCCEPFGSA-N 2 0 241.379 0.484 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](COC)C1CC1 ZINC000629528695 361136672 /nfs/dbraw/zinc/13/66/72/361136672.db2.gz GYOLXXQKRKNCLU-NSHDSACASA-N 2 0 216.325 0.237 20 0 BCADRP [NH3+]C1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCC1 ZINC000334677685 181324792 /nfs/dbraw/zinc/32/47/92/181324792.db2.gz AWPZJYPXJHLEFT-AOOOYVTPSA-N 2 0 223.320 0.221 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CCOCC[NH2+]C)[C@H](C)C1 ZINC000629528918 361138225 /nfs/dbraw/zinc/13/82/25/361138225.db2.gz MYTDZTBYENLHDG-OLZOCXBDSA-N 3 0 243.395 0.542 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000629529055 361138810 /nfs/dbraw/zinc/13/88/10/361138810.db2.gz QMJMHQCZXCWMGA-QWRGUYRKSA-N 2 0 216.325 0.237 20 0 BCADRP CCn1nnc(C)c1CN1CC[C@@](C)(C[NH3+])C1 ZINC000629530369 361144732 /nfs/dbraw/zinc/14/47/32/361144732.db2.gz DTROLVJZVGTHQN-LBPRGKRZSA-N 2 0 237.351 0.777 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccccn1 ZINC000629529922 361147103 /nfs/dbraw/zinc/14/71/03/361147103.db2.gz QMCRWWFGDCEELL-NSHDSACASA-N 2 0 223.320 0.968 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000629530038 361147938 /nfs/dbraw/zinc/14/79/38/361147938.db2.gz TVSVVGOXGFYDAH-VXGBXAGGSA-N 2 0 230.352 0.627 20 0 BCADRP [NH3+]C1(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000336529781 181324455 /nfs/dbraw/zinc/32/44/55/181324455.db2.gz MTYXSVCUQLHGBP-NSHDSACASA-N 2 0 237.347 0.468 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000629531404 361149300 /nfs/dbraw/zinc/14/93/00/361149300.db2.gz KBVBBLUIOHNLET-QWRGUYRKSA-N 3 0 215.341 0.082 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1COCCN1C ZINC000629532563 361152919 /nfs/dbraw/zinc/15/29/19/361152919.db2.gz HCWVWIQRZMTQHC-NEPJUHHUSA-N 2 0 229.368 0.424 20 0 BCADRP [NH3+]C1(C(=O)N2CC[NH2+]CC2)CCCCC1 ZINC000035728216 181324542 /nfs/dbraw/zinc/32/45/42/181324542.db2.gz KCELBTJZITWJPZ-UHFFFAOYSA-N 2 0 211.309 0.080 20 0 BCADRP [NH3+]C1(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000366634183 181324559 /nfs/dbraw/zinc/32/45/59/181324559.db2.gz UVPVZEMIKJSDPH-QWRGUYRKSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1COCCN1C ZINC000629532825 361155784 /nfs/dbraw/zinc/15/57/84/361155784.db2.gz VGVZTNUWQUANRL-GARJFASQSA-N 2 0 215.341 0.032 20 0 BCADRP C[C@@H]([NH2+]C[C@@H]1COCCN1)C1CC[NH+](C)CC1 ZINC000629533380 361159692 /nfs/dbraw/zinc/15/96/92/361159692.db2.gz XNFINGGJKPNUBI-DGCLKSJQSA-N 2 0 241.379 0.295 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1COCCN1)C1CC[NH+](C)CC1 ZINC000629533382 361159726 /nfs/dbraw/zinc/15/97/26/361159726.db2.gz XNFINGGJKPNUBI-YPMHNXCESA-N 2 0 241.379 0.295 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000629525028 361125568 /nfs/dbraw/zinc/12/55/68/361125568.db2.gz XZRNURBBYMQLGV-DBIOUOCHSA-N 2 0 225.336 0.357 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000629525030 361126026 /nfs/dbraw/zinc/12/60/26/361126026.db2.gz XZRNURBBYMQLGV-NAKRPEOUSA-N 2 0 225.336 0.357 20 0 BCADRP [NH3+]C1(C(=O)NC2CC[NH2+]CC2)CCCCC1 ZINC000336555304 181325807 /nfs/dbraw/zinc/32/58/07/181325807.db2.gz NLLXAOHOOAWHIH-UHFFFAOYSA-N 2 0 225.336 0.516 20 0 BCADRP [NH3+]C1(C(=O)NCC[NH+]2CCCC2)CCCCC1 ZINC000035663345 181325387 /nfs/dbraw/zinc/32/53/87/181325387.db2.gz KZAAKTWDKRWCDX-UHFFFAOYSA-N 2 0 239.363 0.860 20 0 BCADRP [NH3+]C1(C(=O)NCC[NH+]2CCCCC2)CCCC1 ZINC000049575474 181325402 /nfs/dbraw/zinc/32/54/02/181325402.db2.gz QVTRDKBUDWIPSJ-UHFFFAOYSA-N 2 0 239.363 0.860 20 0 BCADRP O[C@H](Cc1ccccc1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613208449 361227321 /nfs/dbraw/zinc/22/73/21/361227321.db2.gz BBQYVGNVSJHSCF-SOUVJXGZSA-N 2 0 246.354 0.741 20 0 BCADRP CC[NH2+]CCCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000579004502 366692784 /nfs/dbraw/zinc/69/27/84/366692784.db2.gz FMXXENFTQLARRK-LLVKDONJSA-N 2 0 227.352 0.492 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2C[C@]2(O)C1 ZINC000640482001 361267484 /nfs/dbraw/zinc/26/74/84/361267484.db2.gz PDEZKKVJBNCWMX-TUAOUCFPSA-N 2 0 210.321 0.537 20 0 BCADRP CCCN(C(=O)[C@H]([NH3+])CC(F)F)[C@H]1CC[NH2+]C1 ZINC000579109111 366711799 /nfs/dbraw/zinc/71/17/99/366711799.db2.gz OAASYQSSHQMBAN-DTWKUNHWSA-N 2 0 249.305 0.569 20 0 BCADRP CCCN(C(=O)[C@H]([NH3+])CC(F)F)[C@@H]1CC[NH2+]C1 ZINC000579109113 366712535 /nfs/dbraw/zinc/71/25/35/366712535.db2.gz OAASYQSSHQMBAN-RKDXNWHRSA-N 2 0 249.305 0.569 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000579111412 366713666 /nfs/dbraw/zinc/71/36/66/366713666.db2.gz GJEBLZLFZXNRDB-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1CN(C(=O)CC2(C[NH3+])CC2)CC[C@@H]1[NH3+] ZINC000579120759 366716453 /nfs/dbraw/zinc/71/64/53/366716453.db2.gz PFADYEYCZWGWOH-UWVGGRQHSA-N 2 0 225.336 0.311 20 0 BCADRP Cc1ncc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)n1C ZINC000579130149 366720334 /nfs/dbraw/zinc/72/03/34/366720334.db2.gz NHQXLIUKUWFHON-GZMMTYOYSA-N 2 0 236.319 0.343 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000428413212 201014118 /nfs/dbraw/zinc/01/41/18/201014118.db2.gz OLXDFAMDUHJNFW-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC000428419843 201016606 /nfs/dbraw/zinc/01/66/06/201016606.db2.gz GEJXBEXOVDJVRG-SNVBAGLBSA-N 2 0 213.325 0.147 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000428491368 201023586 /nfs/dbraw/zinc/02/35/86/201023586.db2.gz VHYVZHIQRDGGSH-MNOVXSKESA-N 2 0 227.352 0.749 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH3+] ZINC000428482536 201023980 /nfs/dbraw/zinc/02/39/80/201023980.db2.gz OZKVTTIACFUQPU-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000622044559 370677214 /nfs/dbraw/zinc/67/72/14/370677214.db2.gz KOHHRQASFIVUSE-CYZMBNFOSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000622044847 370678760 /nfs/dbraw/zinc/67/87/60/370678760.db2.gz VCMAQNNVRNFUIK-DTWKUNHWSA-N 2 0 213.325 0.371 20 0 BCADRP CCS(=O)(=O)C[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000622045360 370680239 /nfs/dbraw/zinc/68/02/39/370680239.db2.gz PHTBHZJOVDSHGP-DTWKUNHWSA-N 2 0 222.354 0.137 20 0 BCADRP CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH3+])C1)[NH+](C)C ZINC000428607590 201028530 /nfs/dbraw/zinc/02/85/30/201028530.db2.gz QLMXRYHOVWKSOV-NEPJUHHUSA-N 2 0 241.379 0.770 20 0 BCADRP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000428607591 201028752 /nfs/dbraw/zinc/02/87/52/201028752.db2.gz QLMXRYHOVWKSOV-RYUDHWBXSA-N 2 0 241.379 0.770 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000250839057 181329790 /nfs/dbraw/zinc/32/97/90/181329790.db2.gz LNMUOQDCBUWIJD-VHSXEESVSA-N 2 0 223.320 0.221 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428957084 201051402 /nfs/dbraw/zinc/05/14/02/201051402.db2.gz ZTVBPMIYZOVXAL-QCNOEVLYSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000428952930 201052985 /nfs/dbraw/zinc/05/29/85/201052985.db2.gz NBJNNHLHQPBMBQ-HBNTYKKESA-N 2 0 241.379 0.864 20 0 BCADRP C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000428969090 201055174 /nfs/dbraw/zinc/05/51/74/201055174.db2.gz QQONYHHDGJDOCX-QJPTWQEYSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H](C(=O)NCC[C@H](C)[NH3+])[NH+](CC)CC ZINC000429035054 201060405 /nfs/dbraw/zinc/06/04/05/201060405.db2.gz LKLCPBWYWQTAHB-QWRGUYRKSA-N 2 0 229.368 0.960 20 0 BCADRP CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@H](C)[NH+](C)C ZINC000614332212 363786803 /nfs/dbraw/zinc/78/68/03/363786803.db2.gz URHJKNGZAUWTNR-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[NH2+]CC2CC2)[C@H]1C[NH3+] ZINC000429160287 201076915 /nfs/dbraw/zinc/07/69/15/201076915.db2.gz SAROZNYYVWVBIK-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000429189620 201078090 /nfs/dbraw/zinc/07/80/90/201078090.db2.gz CLKJHOKHHVAMDN-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000429195676 201078145 /nfs/dbraw/zinc/07/81/45/201078145.db2.gz XIYHKZAJXKWABN-GMTAPVOTSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C1(C[NH3+])CCCC1 ZINC000429193676 201079411 /nfs/dbraw/zinc/07/94/11/201079411.db2.gz MPKDOUDKEXWYOF-SNVBAGLBSA-N 2 0 227.352 0.605 20 0 BCADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cn[nH]c1 ZINC000629539227 361404603 /nfs/dbraw/zinc/40/46/03/361404603.db2.gz PAELJJWAQSSPIW-SECBINFHSA-N 2 0 212.297 0.426 20 0 BCADRP C[C@H]1COCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629539043 361404608 /nfs/dbraw/zinc/40/46/08/361404608.db2.gz OZDWFLUTYYTEHM-QWRGUYRKSA-N 2 0 216.325 0.366 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@]2(C)CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000429396223 201106681 /nfs/dbraw/zinc/10/66/81/201106681.db2.gz BAQHLHDOHDXBNP-UMNHJUIQSA-N 2 0 225.336 0.195 20 0 BCADRP CNC(=O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429539410 201111522 /nfs/dbraw/zinc/11/15/22/201111522.db2.gz KXRWZXFFUKDPCN-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)CC[C@H]1[NH3+] ZINC000579355337 366768131 /nfs/dbraw/zinc/76/81/31/366768131.db2.gz FSASBSPULWJEGN-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](NCCOCCC[NH3+])[C@H]1CCC[NH2+]1 ZINC000629537479 361401285 /nfs/dbraw/zinc/40/12/85/361401285.db2.gz JMNVULKAWTYSAS-WDEREUQCSA-N 2 0 215.341 0.082 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000429318935 201099248 /nfs/dbraw/zinc/09/92/48/201099248.db2.gz SNXKGAOOQUXECF-LLVKDONJSA-N 2 0 241.379 0.995 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000629543942 361413114 /nfs/dbraw/zinc/41/31/14/361413114.db2.gz DYNODWSZUNXBFX-GXFFZTMASA-N 2 0 223.364 0.953 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[C@H]1C[NH3+] ZINC000429657904 201123369 /nfs/dbraw/zinc/12/33/69/201123369.db2.gz NCHPYLDGSDTYQC-UTUOFQBUSA-N 2 0 239.363 0.809 20 0 BCADRP CC[C@@H](C(=O)NCC(C)(C)[NH3+])[NH+](CC)CC ZINC000429660783 201124584 /nfs/dbraw/zinc/12/45/84/201124584.db2.gz OMDOEFKVBSZXDL-JTQLQIEISA-N 2 0 229.368 0.960 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1COCCN1 ZINC000629534837 361408952 /nfs/dbraw/zinc/40/89/52/361408952.db2.gz BJQKJPGKEMRASY-QWRGUYRKSA-N 2 0 215.341 0.082 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCOCCC[NH3+])c2nccn21 ZINC000629535354 361409665 /nfs/dbraw/zinc/40/96/65/361409665.db2.gz BZNXSDXTCSXXES-QWRGUYRKSA-N 2 0 238.335 0.844 20 0 BCADRP CC[C@@H](NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000629544598 361423516 /nfs/dbraw/zinc/42/35/16/361423516.db2.gz JNRCVCYLOYHUKT-UPJWGTAASA-N 2 0 241.379 0.173 20 0 BCADRP OC[C@H](N[C@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000579473406 366821159 /nfs/dbraw/zinc/82/11/59/366821159.db2.gz UFERQVDSRWSFEJ-SRVKXCTJSA-N 2 0 228.336 0.116 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[NH2+]CC[C@H]1C ZINC000629547227 361430316 /nfs/dbraw/zinc/43/03/16/361430316.db2.gz SCQVPUZYWFISCC-NOOOWODRSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]CCN1CC[C@@H](O)C1 ZINC000629548206 361432708 /nfs/dbraw/zinc/43/27/08/361432708.db2.gz WIVQZHKLCIVBEH-VXGBXAGGSA-N 2 0 229.368 0.160 20 0 BCADRP C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)C1C[NH2+]C1 ZINC000629549164 361435667 /nfs/dbraw/zinc/43/56/67/361435667.db2.gz QUBXSNUNIWNRMR-KPXOXKRLSA-N 2 0 210.321 0.751 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629556391 361450267 /nfs/dbraw/zinc/45/02/67/361450267.db2.gz OXUHRYAHHXSKNE-RWMBFGLXSA-N 2 0 241.379 0.031 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCN(C)CC(F)F ZINC000629556785 361445308 /nfs/dbraw/zinc/44/53/08/361445308.db2.gz YMCPYHFVIJHDCS-RKDXNWHRSA-N 2 0 223.311 0.899 20 0 BCADRP CCN(CC[NH3+])Cc1nc(C(C)(C)[NH3+])no1 ZINC000629555098 361445825 /nfs/dbraw/zinc/44/58/25/361445825.db2.gz FTJMLGZVWPUDLH-UHFFFAOYSA-N 2 0 227.312 0.044 20 0 BCADRP C[N@H+](CCOCC[NH3+])CC[C@@H]1CCC[NH2+]C1 ZINC000629578191 361464798 /nfs/dbraw/zinc/46/47/98/361464798.db2.gz OCIFIPMBTRAYKT-LBPRGKRZSA-N 3 0 229.368 0.283 20 0 BCADRP C/C=C/C[C@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629583912 361469609 /nfs/dbraw/zinc/46/96/09/361469609.db2.gz LCXMOOXEXVGQGT-XDYXTIEYSA-N 2 0 242.363 0.360 20 0 BCADRP Cc1cc(CN(C)CCOCC[NH3+])nc(C)n1 ZINC000629580733 361469752 /nfs/dbraw/zinc/46/97/52/361469752.db2.gz FYBKASYFFIOXQB-UHFFFAOYSA-N 2 0 238.335 0.501 20 0 BCADRP Cc1nocc1CN(C)CCOCC[NH3+] ZINC000629581016 361470653 /nfs/dbraw/zinc/47/06/53/361470653.db2.gz KBGQDYLGSZVELK-UHFFFAOYSA-N 2 0 213.281 0.390 20 0 BCADRP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2CC[C@H]1CC[NH2+]C1 ZINC000629581577 361472230 /nfs/dbraw/zinc/47/22/30/361472230.db2.gz CZQGWTVVRARIQL-UTUOFQBUSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH+](C)C ZINC000432510983 201162338 /nfs/dbraw/zinc/16/23/38/201162338.db2.gz BNSAPEQLJIOMHQ-IJLUTSLNSA-N 2 0 241.379 0.687 20 0 BCADRP COC[C@]1(C)CN(C[C@H]2CC[NH2+]C2)CCO1 ZINC000629594446 361486726 /nfs/dbraw/zinc/48/67/26/361486726.db2.gz CSRXJNWAZSFXHF-RYUDHWBXSA-N 2 0 228.336 0.333 20 0 BCADRP [NH3+]CCN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563445 361455402 /nfs/dbraw/zinc/45/54/02/361455402.db2.gz PVMDPVRZAPPUOS-SFYZADRCSA-N 2 0 225.258 0.404 20 0 BCADRP O[C@H](C[NH2+]CCn1cccc1)C[NH+]1CCCC1 ZINC000629566057 361457883 /nfs/dbraw/zinc/45/78/83/361457883.db2.gz RWVCBNVJQQWHSY-CYBMUJFWSA-N 2 0 237.347 0.534 20 0 BCADRP [NH3+]CCCN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563007 361457917 /nfs/dbraw/zinc/45/79/17/361457917.db2.gz ORPYLSWOUMKNKN-RKDXNWHRSA-N 2 0 239.285 0.794 20 0 BCADRP CC[C@@H](C(=O)N(C)CCC[NH3+])[NH+](C)C ZINC000629612563 361498970 /nfs/dbraw/zinc/49/89/70/361498970.db2.gz FQSWDYWLXJKEBM-VIFPVBQESA-N 2 0 201.314 0.134 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H](C[NH2+]C)C1)[NH+](C)C ZINC000629612503 361499584 /nfs/dbraw/zinc/49/95/84/361499584.db2.gz DLXYAASQOFJODU-GHMZBOCLSA-N 2 0 227.352 0.395 20 0 BCADRP CC[C@@H](C(=O)NCC1CC[NH2+]CC1)[NH+](C)C ZINC000629610400 361500325 /nfs/dbraw/zinc/50/03/25/361500325.db2.gz BOFWLIBCDRYOJM-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@H](C(=O)N1CCC(C[NH2+]C)CC1)[NH+](C)C ZINC000629611663 361500679 /nfs/dbraw/zinc/50/06/79/361500679.db2.gz AAEPSISOJHPFIF-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@H](C(=O)N1CCC[NH2+]CC1)[NH+](C)C ZINC000629611212 361501375 /nfs/dbraw/zinc/50/13/75/361501375.db2.gz QGJQLHJEHVGLDB-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP CC[C@@H](C(=O)NCC1(C)CC[NH2+]CC1)[NH+](C)C ZINC000629611742 361501858 /nfs/dbraw/zinc/50/18/58/361501858.db2.gz DJHADWZRZVIRBH-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000629612039 361502216 /nfs/dbraw/zinc/50/22/16/361502216.db2.gz PVSKETONHJXMPU-HBNTYKKESA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@@H](C(=O)NC[C@H]([NH3+])C1CC1)[NH+](C)C ZINC000629612173 361502456 /nfs/dbraw/zinc/50/24/56/361502456.db2.gz WFYHEFWCSMRHSU-UWVGGRQHSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000629614681 361503501 /nfs/dbraw/zinc/50/35/01/361503501.db2.gz MGLCJMQTEWBFTO-SDDRHHMPSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@H](C(=O)N1CCC([C@@H](C)[NH3+])CC1)[NH+](C)C ZINC000629615590 361505457 /nfs/dbraw/zinc/50/54/57/361505457.db2.gz VVFHDGKHGNMOMG-ZYHUDNBSSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@H](C(=O)NC[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000629615916 361505696 /nfs/dbraw/zinc/50/56/96/361505696.db2.gz ZDJPPVDTHSWEMY-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@H](C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)[NH+](C)C ZINC000629613640 361508044 /nfs/dbraw/zinc/50/80/44/361508044.db2.gz PZUXJAVEPJMLJU-NQBHXWOUSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@@H](C(=O)N[C@H](CC[NH3+])C(F)F)[NH+](C)C ZINC000629613799 361508394 /nfs/dbraw/zinc/50/83/94/361508394.db2.gz SXBIZNJXPSTPRP-SFYZADRCSA-N 2 0 237.294 0.425 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC000629613753 361508420 /nfs/dbraw/zinc/50/84/20/361508420.db2.gz SBLRUXVDZLHHAQ-NXEZZACHSA-N 2 0 215.341 0.441 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1)[NH+](C)C ZINC000629613750 361508497 /nfs/dbraw/zinc/50/84/97/361508497.db2.gz SAZQKOFLEAVCAW-UTUOFQBUSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000629614423 361509627 /nfs/dbraw/zinc/50/96/27/361509627.db2.gz JMISDJLXXVEVLL-QJPTWQEYSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]C)C1)[NH+](C)C ZINC000629612338 361497996 /nfs/dbraw/zinc/49/79/96/361497996.db2.gz CSKMZXNTKARYLD-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP C1=C(C[NH2+]CC[C@H]2CC[NH2+]C2)COCC1 ZINC000629647596 361537937 /nfs/dbraw/zinc/53/79/37/361537937.db2.gz ARYSWJNPAXDKIP-LLVKDONJSA-N 2 0 210.321 0.922 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[NH2+]C[C@H](C)C1 ZINC000629655439 361560420 /nfs/dbraw/zinc/56/04/20/361560420.db2.gz WVMIHUNQLZWVRE-WISYIIOYSA-N 2 0 211.353 0.715 20 0 BCADRP Cn1ccc(C[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000629655830 361560446 /nfs/dbraw/zinc/56/04/46/361560446.db2.gz XAFSZQFAAOGEOF-UHFFFAOYSA-N 2 0 236.363 0.410 20 0 BCADRP COC1(C[NH2+]C[C@@H]2C[NH2+]CCCO2)CCCC1 ZINC000629648891 361541722 /nfs/dbraw/zinc/54/17/22/361541722.db2.gz BPWHEKYXOPHSDM-LBPRGKRZSA-N 2 0 242.363 0.914 20 0 BCADRP C[C@@H]1CC[C@H](N[C@H]2C[NH2+]C[C@@H](C)C2)C[NH2+]1 ZINC000629660159 361564902 /nfs/dbraw/zinc/56/49/02/361564902.db2.gz OVTLBBVWOMUGEI-WHOHXGKFSA-N 2 0 211.353 0.715 20 0 BCADRP C[N@H+]1CC=C(C[NH2+]Cc2cncnc2)CC1 ZINC000309957326 491158927 /nfs/dbraw/zinc/15/89/27/491158927.db2.gz JAIRRKUUOUWNHJ-UHFFFAOYSA-N 2 0 218.304 0.828 20 0 BCADRP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)C1CCC1 ZINC000629652593 361551753 /nfs/dbraw/zinc/55/17/53/361551753.db2.gz IXZLXUPHKBQOBB-MRVPVSSYSA-N 2 0 236.319 0.919 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CC1(C)CC1 ZINC000629653199 361552898 /nfs/dbraw/zinc/55/28/98/361552898.db2.gz IAGFNLJZZRDQGD-UHFFFAOYSA-N 2 0 200.326 0.954 20 0 BCADRP C[NH2+]CCOCCN(C)CC[NH2+]C(C)(C)C ZINC000629654272 361554060 /nfs/dbraw/zinc/55/40/60/361554060.db2.gz OTDSUXBOIBGWLF-UHFFFAOYSA-N 2 0 231.384 0.542 20 0 BCADRP C[C@@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+][C@H]1C ZINC000629671679 361591088 /nfs/dbraw/zinc/59/10/88/361591088.db2.gz DCFVCKWOKAAOBB-FIQHERPVSA-N 2 0 211.353 0.857 20 0 BCADRP CCc1nn(C)cc1C[N@H+](C)CCOCC[NH3+] ZINC000629661087 361594198 /nfs/dbraw/zinc/59/41/98/361594198.db2.gz BEYAHCGFNRBKFG-UHFFFAOYSA-N 2 0 240.351 0.390 20 0 BCADRP COC1(C[N@H+](C)CCOCC[NH3+])CCCC1 ZINC000629662073 361594830 /nfs/dbraw/zinc/59/48/30/361594830.db2.gz CMVBEYJIGYMGII-UHFFFAOYSA-N 2 0 230.352 0.853 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CCSC1 ZINC000629662045 361594931 /nfs/dbraw/zinc/59/49/31/361594931.db2.gz CJFKCYISADYVBJ-JTQLQIEISA-N 2 0 218.366 0.647 20 0 BCADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCOCCC[NH3+] ZINC000629677877 361601082 /nfs/dbraw/zinc/60/10/82/361601082.db2.gz IKJDCLRDKKVMNP-VXGBXAGGSA-N 3 0 229.368 0.472 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000434858638 201242554 /nfs/dbraw/zinc/24/25/54/201242554.db2.gz APQUTIPHXURVGP-ZJUUUORDSA-N 2 0 245.392 0.181 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000153242204 201230510 /nfs/dbraw/zinc/23/05/10/201230510.db2.gz UBBOJDAZXFOGOS-GARJFASQSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000434672549 201231022 /nfs/dbraw/zinc/23/10/22/201231022.db2.gz BKUSVOBLLQKYBO-GXSJLCMTSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)[NH+](C)C ZINC000153438675 201236695 /nfs/dbraw/zinc/23/66/95/201236695.db2.gz JJCJUQJASPOGIR-SDDRHHMPSA-N 2 0 241.379 0.781 20 0 BCADRP C[C@H]1CN(C(=O)C[NH2+]CC2CC2)C[C@H](C)[NH2+]1 ZINC000153807236 201250199 /nfs/dbraw/zinc/25/01/99/201250199.db2.gz XRIMRZDHSXSINJ-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435241239 201256517 /nfs/dbraw/zinc/25/65/17/201256517.db2.gz SRMQPKNMVFHMRC-GFCCVEGCSA-N 2 0 239.363 0.680 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435240154 201257566 /nfs/dbraw/zinc/25/75/66/201257566.db2.gz ZTCRQNMFHUMXKD-ZYHUDNBSSA-N 2 0 237.347 0.481 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435234200 201257626 /nfs/dbraw/zinc/25/76/26/201257626.db2.gz FNOABCWBHTVEJR-GHMZBOCLSA-N 2 0 225.336 0.467 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435240153 201258086 /nfs/dbraw/zinc/25/80/86/201258086.db2.gz ZTCRQNMFHUMXKD-PWSUYJOCSA-N 2 0 237.347 0.481 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000051694779 181341685 /nfs/dbraw/zinc/34/16/85/181341685.db2.gz XHLDUSJLAXLNDV-UDNWOFFPSA-N 2 0 211.309 0.125 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]([NH3+])C1 ZINC000155234994 201309309 /nfs/dbraw/zinc/30/93/09/201309309.db2.gz XGCGMFLQBMKCAB-UTLUCORTSA-N 2 0 213.325 0.310 20 0 BCADRP C[NH2+]CCC[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000435879890 201292418 /nfs/dbraw/zinc/29/24/18/201292418.db2.gz GCFXFLPIMPYKHZ-OLZOCXBDSA-N 2 0 241.379 0.248 20 0 BCADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1C[NH2+]C1 ZINC000378641551 181344835 /nfs/dbraw/zinc/34/48/35/181344835.db2.gz LOAXMXQBJACJHI-FGWVZKOKSA-N 2 0 223.320 0.077 20 0 BCADRP [NH3+][C@@H](C(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000032021649 181344013 /nfs/dbraw/zinc/34/40/13/181344013.db2.gz LRZITQKEQAWIRX-GFCCVEGCSA-N 2 0 233.315 0.636 20 0 BCADRP CC[C@@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155822786 201352680 /nfs/dbraw/zinc/35/26/80/201352680.db2.gz NTRFOANFQOITMM-SDDRHHMPSA-N 2 0 212.337 0.974 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000437790304 201373857 /nfs/dbraw/zinc/37/38/57/201373857.db2.gz USWRMRYJSYVVRG-UPJWGTAASA-N 2 0 223.364 0.812 20 0 BCADRP [NH3+]CC(=O)N1C[C@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000364182651 181350570 /nfs/dbraw/zinc/35/05/70/181350570.db2.gz NKRBDNRILTUOIE-MNOVXSKESA-N 2 0 237.278 0.038 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000070946157 364090675 /nfs/dbraw/zinc/09/06/75/364090675.db2.gz HAGHQLUWJOSNLK-LLVKDONJSA-N 2 0 227.352 0.714 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C[NH+](C)C ZINC000132274610 364236296 /nfs/dbraw/zinc/23/62/96/364236296.db2.gz MXWHIQSBGFSHGG-NSHDSACASA-N 2 0 245.367 0.021 20 0 BCADRP CC[C@](C)([NH3+])c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630604486 364328494 /nfs/dbraw/zinc/32/84/94/364328494.db2.gz ALRSSPWUMSMGEW-KOLCDFICSA-N 2 0 223.324 0.614 20 0 BCADRP c1c([C@H]2CCC[NH2+]C2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000630606317 364328630 /nfs/dbraw/zinc/32/86/30/364328630.db2.gz WZFGPIIVZBXBFJ-QWRGUYRKSA-N 2 0 235.335 0.497 20 0 BCADRP C[NH2+]Cc1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607876 364333299 /nfs/dbraw/zinc/33/32/99/364333299.db2.gz QIUNNHQOIIJNCO-UHFFFAOYSA-N 2 0 217.276 0.445 20 0 BCADRP C[C@H]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)CN1 ZINC000398951106 364279119 /nfs/dbraw/zinc/27/91/19/364279119.db2.gz CALNDIXVCQKWJW-XKGSQUFQSA-N 2 0 211.353 0.986 20 0 BCADRP C[NH+](C)CCCn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000630585201 364292640 /nfs/dbraw/zinc/29/26/40/364292640.db2.gz JVJCYFQZNYBMDE-NSHDSACASA-N 2 0 237.351 0.382 20 0 BCADRP C[NH+](C)CCc1cn(CC[NH+]2CCCC2)nn1 ZINC000630617743 364353289 /nfs/dbraw/zinc/35/32/89/364353289.db2.gz HOBXGNWIDUBQGD-UHFFFAOYSA-N 2 0 237.351 0.478 20 0 BCADRP CCC[C@H]([NH3+])c1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC000630616978 364354231 /nfs/dbraw/zinc/35/42/31/364354231.db2.gz PCNDACOSXPKWEL-UWVGGRQHSA-N 2 0 239.323 0.066 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@H](C)[N@H+]1C ZINC000579512084 366841829 /nfs/dbraw/zinc/84/18/29/366841829.db2.gz OXBZWHVWEWNKMK-TUAOUCFPSA-N 2 0 239.363 0.489 20 0 BCADRP COC[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)OC ZINC000227711410 541371535 /nfs/dbraw/zinc/37/15/35/541371535.db2.gz RKOQRQBSHZXVGW-AAEUAGOBSA-N 2 0 244.379 0.968 20 0 BCADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000615309114 364683926 /nfs/dbraw/zinc/68/39/26/364683926.db2.gz QJQISWSHBAUOTO-IJLUTSLNSA-N 2 0 239.363 0.632 20 0 BCADRP [NH3+]CCCC(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000372776502 181371318 /nfs/dbraw/zinc/37/13/18/181371318.db2.gz OEMRVTATIUHWEP-JQWIXIFHSA-N 2 0 225.336 0.455 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000037824261 181371176 /nfs/dbraw/zinc/37/11/76/181371176.db2.gz LHOYSZXQKYZFOI-LBPRGKRZSA-N 2 0 239.363 0.812 20 0 BCADRP [NH3+]CCCC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000368111602 181371210 /nfs/dbraw/zinc/37/12/10/181371210.db2.gz IFBYDKXRSWQJSG-LBPRGKRZSA-N 2 0 239.363 0.573 20 0 BCADRP [NH3+]CCCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000573381913 364818740 /nfs/dbraw/zinc/81/87/40/364818740.db2.gz GRPDVXUSKNEXRV-UHFFFAOYSA-N 2 0 225.336 0.455 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)C[NH+](C)C)C1 ZINC000167899471 364819906 /nfs/dbraw/zinc/81/99/06/364819906.db2.gz LPHFHAQJBDHRIS-SNVBAGLBSA-N 2 0 213.325 0.006 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1coc(C[NH3+])c1 ZINC000573444108 364833744 /nfs/dbraw/zinc/83/37/44/364833744.db2.gz HWYIPMINNZHFRO-RNFRBKRXSA-N 2 0 211.265 0.204 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000573445404 364834902 /nfs/dbraw/zinc/83/49/02/364834902.db2.gz VEIBTKZVHDWSEP-OLZOCXBDSA-N 3 0 225.380 0.917 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000573445407 364835434 /nfs/dbraw/zinc/83/54/34/364835434.db2.gz VEIBTKZVHDWSEP-STQMWFEESA-N 3 0 225.380 0.917 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000573487691 364845630 /nfs/dbraw/zinc/84/56/30/364845630.db2.gz JJTAVLNWGGFWTB-XVKPBYJWSA-N 2 0 237.294 0.603 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1CC[N@H+](C)C[C@H]1CC ZINC000573584107 364869166 /nfs/dbraw/zinc/86/91/66/364869166.db2.gz VPEXGZUWAGNDDU-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP [NH3+]CCCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000037812738 181371397 /nfs/dbraw/zinc/37/13/97/181371397.db2.gz YFKNVVMKMRKVHX-LLVKDONJSA-N 2 0 225.336 0.422 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000573667603 364888102 /nfs/dbraw/zinc/88/81/02/364888102.db2.gz RTLFCEILYGRSDN-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000573799725 364917533 /nfs/dbraw/zinc/91/75/33/364917533.db2.gz AECFYQOWLHBCSW-CIUDSAMLSA-N 2 0 216.329 0.149 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000573799728 364911966 /nfs/dbraw/zinc/91/19/66/364911966.db2.gz AECFYQOWLHBCSW-YIZRAAEISA-N 2 0 216.329 0.149 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000573844462 364929702 /nfs/dbraw/zinc/92/97/02/364929702.db2.gz WWVOEXFUVUKVDP-NXEZZACHSA-N 2 0 213.325 0.039 20 0 BCADRP C[C@H]([NH2+]C[C@H](O)CN(C)C)C1CC[NH+](C)CC1 ZINC000154387031 541417368 /nfs/dbraw/zinc/41/73/68/541417368.db2.gz FAXPTYBCOPHMQV-AAEUAGOBSA-N 2 0 243.395 0.229 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000573924131 364941447 /nfs/dbraw/zinc/94/14/47/364941447.db2.gz RGNPMSBCKRVFIL-QWRGUYRKSA-N 2 0 227.352 0.300 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000669511979 541422175 /nfs/dbraw/zinc/42/21/75/541422175.db2.gz QBUOWEFMVQIQKU-ZDUSSCGKSA-N 2 0 247.342 0.681 20 0 BCADRP CC1(CNC(=O)C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000573963412 364954813 /nfs/dbraw/zinc/95/48/13/364954813.db2.gz RBUXKFFXDVIPSJ-UHFFFAOYSA-N 2 0 239.363 0.492 20 0 BCADRP [NH3+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CC[NH2+]1 ZINC000358933976 181379423 /nfs/dbraw/zinc/37/94/23/181379423.db2.gz MANYVMAIXFDRBX-ZDUSSCGKSA-N 2 0 247.342 0.726 20 0 BCADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000574038397 364972883 /nfs/dbraw/zinc/97/28/83/364972883.db2.gz COGYRUHUXBZZOV-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)C(=O)NCCN(C)C[C@@H](C)[NH3+] ZINC000574084032 364983529 /nfs/dbraw/zinc/98/35/29/364983529.db2.gz MTUXUEMNWHROOA-SECBINFHSA-N 2 0 201.314 0.038 20 0 BCADRP C[NH2+][C@H](C)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000574172773 365004265 /nfs/dbraw/zinc/00/42/65/365004265.db2.gz WAQIBYQTTWXAHI-KXUCPTDWSA-N 2 0 213.325 0.228 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC1CC[NH2+]CC1 ZINC000574156107 364997245 /nfs/dbraw/zinc/99/72/45/364997245.db2.gz IYDLVZHGMCGIHJ-JTQLQIEISA-N 2 0 227.352 0.490 20 0 BCADRP [NH3+]CCCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071401082 181381126 /nfs/dbraw/zinc/38/11/26/181381126.db2.gz WZTYOJUCCFZFHP-LBPRGKRZSA-N 2 0 235.331 0.932 20 0 BCADRP [NH3+]CCCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000133717319 181381181 /nfs/dbraw/zinc/38/11/81/181381181.db2.gz FKMUZZMLEFGYBH-UHFFFAOYSA-N 2 0 227.352 0.751 20 0 BCADRP [NH3+]CCCN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000021950271 181381230 /nfs/dbraw/zinc/38/12/30/181381230.db2.gz GWKFOLDEHXOVCD-GFCCVEGCSA-N 2 0 227.352 0.132 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)N(C)C ZINC000168986415 365048374 /nfs/dbraw/zinc/04/83/74/365048374.db2.gz BSCIRPNBNUPIBX-ZJUUUORDSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)N(C)C ZINC000168986497 365048683 /nfs/dbraw/zinc/04/86/83/365048683.db2.gz BSCIRPNBNUPIBX-UWVGGRQHSA-N 2 0 213.325 0.276 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000574451437 365060275 /nfs/dbraw/zinc/06/02/75/365060275.db2.gz QBHUUMUJIWWPAD-PWSUYJOCSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H](C)C[NH3+] ZINC000574319533 365023787 /nfs/dbraw/zinc/02/37/87/365023787.db2.gz WBFABCBTGGBXMK-XHNCKOQMSA-N 2 0 216.329 0.006 20 0 BCADRP [NH3+]Cc1cc(C(=O)NC[C@H]2CCC[NH2+]2)ccn1 ZINC000574311864 365034546 /nfs/dbraw/zinc/03/45/46/365034546.db2.gz HKVVFQNXCPPKID-SNVBAGLBSA-N 2 0 234.303 0.022 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000574321488 365036270 /nfs/dbraw/zinc/03/62/70/365036270.db2.gz YCNABQUXIIVMGR-GHMZBOCLSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000574517821 365080581 /nfs/dbraw/zinc/08/05/81/365080581.db2.gz CNZZCMXCWMXRHD-LBPRGKRZSA-N 2 0 233.315 0.612 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCC[NH2+]C1CC1 ZINC000574517033 365080683 /nfs/dbraw/zinc/08/06/83/365080683.db2.gz MWYAZVVFXQJVAF-UWVGGRQHSA-N 2 0 242.367 0.554 20 0 BCADRP CC(C)(O)C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000574530885 365085076 /nfs/dbraw/zinc/08/50/76/365085076.db2.gz GWQGDJWSOTURKW-UHFFFAOYSA-N 2 0 212.337 0.961 20 0 BCADRP CC[NH2+]CCCNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000574548909 365087717 /nfs/dbraw/zinc/08/77/17/365087717.db2.gz UIBQRNYMKHPAGW-MNOVXSKESA-N 2 0 242.367 0.378 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000574568755 365091989 /nfs/dbraw/zinc/09/19/89/365091989.db2.gz ALVZCEAWSKUWJK-HOSYDEDBSA-N 2 0 225.336 0.086 20 0 BCADRP O=C(C[NH2+]CC1CC1)NCC[C@@H]1CCC[NH2+]C1 ZINC000574636044 365108056 /nfs/dbraw/zinc/10/80/56/365108056.db2.gz ATKPZMUKIRRQOD-NSHDSACASA-N 2 0 239.363 0.492 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000574636892 365108682 /nfs/dbraw/zinc/10/86/82/365108682.db2.gz ILMSRLRJTSIWKM-YFKTTZPYSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+]CCOCC[NH+]1Cc2ccccc2C1 ZINC000058012060 181399035 /nfs/dbraw/zinc/39/90/35/181399035.db2.gz PJGINSLVUVQCNG-UHFFFAOYSA-N 2 0 206.289 0.978 20 0 BCADRP [NH3+]CCOCCN1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000357079023 181399454 /nfs/dbraw/zinc/39/94/54/181399454.db2.gz CINDXXVGUIYAJI-KBPBESRZSA-N 3 0 249.358 0.388 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000574688975 365121557 /nfs/dbraw/zinc/12/15/57/365121557.db2.gz WIACHGOMEABKBK-GWCFXTLKSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]C1(CNC(=O)CC[C@@H]2CC[NH2+]C2)CCC1 ZINC000574516616 365079045 /nfs/dbraw/zinc/07/90/45/365079045.db2.gz OFWAWQRLGIHHAJ-SNVBAGLBSA-N 2 0 225.336 0.374 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH+](C)C ZINC000443391987 193018949 /nfs/dbraw/zinc/01/89/49/193018949.db2.gz XBLOMLSBERYDSB-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(CC[NH+](C)C)C1CC1 ZINC000574873979 365163682 /nfs/dbraw/zinc/16/36/82/365163682.db2.gz BUIKGGKPGJSCAN-SECBINFHSA-N 2 0 213.325 0.134 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000575044952 365175433 /nfs/dbraw/zinc/17/54/33/365175433.db2.gz GQNJPBPMTVMWKV-AEJSXWLSSA-N 2 0 213.325 0.086 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C(F)F ZINC000575045018 365175488 /nfs/dbraw/zinc/17/54/88/365175488.db2.gz LBATZXVOWWQRJI-HLTSFMKQSA-N 2 0 249.305 0.603 20 0 BCADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1C[NH2+]C1 ZINC000574799857 365145849 /nfs/dbraw/zinc/14/58/49/365145849.db2.gz MKTXDOLWVPQWRM-QWRGUYRKSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1C[NH2+]C1 ZINC000574799856 365146270 /nfs/dbraw/zinc/14/62/70/365146270.db2.gz MKTXDOLWVPQWRM-MNOVXSKESA-N 2 0 211.353 0.859 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000574808895 365149262 /nfs/dbraw/zinc/14/92/62/365149262.db2.gz LJMISSHBVYFSGL-OUAUKWLOSA-N 2 0 225.336 0.454 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000191987736 365220884 /nfs/dbraw/zinc/22/08/84/365220884.db2.gz LGNJNSZUVSVEMG-WDEREUQCSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000575124869 365212206 /nfs/dbraw/zinc/21/22/06/365212206.db2.gz KVVDKKZURRYZIL-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CC[NH2+]1 ZINC000444167308 193039923 /nfs/dbraw/zinc/03/99/23/193039923.db2.gz LMRRWFBRNSNWKV-HBNTYKKESA-N 2 0 223.320 0.091 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[NH2+]1)[N@@H+]1CCCC[C@@H]1C ZINC000444180230 193039976 /nfs/dbraw/zinc/03/99/76/193039976.db2.gz HDBWDEWVJIQZOX-QJPTWQEYSA-N 2 0 239.363 0.727 20 0 BCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444181825 193040005 /nfs/dbraw/zinc/04/00/05/193040005.db2.gz JXKRIXUMVLIWNC-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP CCC[NH+](CCC)CCCNC(=O)[C@H]1CC[NH2+]1 ZINC000444174487 193040073 /nfs/dbraw/zinc/04/00/73/193040073.db2.gz XILRXPLYDNYPAP-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CC[NH+]1CCC(CCNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444187044 193040096 /nfs/dbraw/zinc/04/00/96/193040096.db2.gz SGRLKGDRZITSKP-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[NH2+]1)[N@@H+]1CCCC[C@H]1C ZINC000444180229 193040620 /nfs/dbraw/zinc/04/06/20/193040620.db2.gz HDBWDEWVJIQZOX-IJLUTSLNSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444273298 193042757 /nfs/dbraw/zinc/04/27/57/193042757.db2.gz MTVYUVYVZSLXFC-LLVKDONJSA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+][C@@H](C(=O)NCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000444260362 193042839 /nfs/dbraw/zinc/04/28/39/193042839.db2.gz RSFLKXBCOLJDHF-CHWSQXEVSA-N 2 0 247.342 0.945 20 0 BCADRP [NH3+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[NH2+]1 ZINC000444263500 193043457 /nfs/dbraw/zinc/04/34/57/193043457.db2.gz ABBUVFHOCASRQA-GFCCVEGCSA-N 2 0 233.315 0.336 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444262327 193043557 /nfs/dbraw/zinc/04/35/57/193043557.db2.gz ALPZNSCPDZQZFA-MNOVXSKESA-N 2 0 227.352 0.762 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]2)C[N@@H+]1C1CC1 ZINC000444272486 193043676 /nfs/dbraw/zinc/04/36/76/193043676.db2.gz XKAHCUHZQKEFRT-IQJOONFLSA-N 2 0 223.320 0.090 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000444270439 193043702 /nfs/dbraw/zinc/04/37/02/193043702.db2.gz QQGFWJYNKZGCGK-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000444273527 193043986 /nfs/dbraw/zinc/04/39/86/193043986.db2.gz QFPCQDDAUYBPTB-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H](NC(=O)[C@H]1CC[NH2+]1)C(C)(C)C[NH+](C)C ZINC000444261117 193044015 /nfs/dbraw/zinc/04/40/15/193044015.db2.gz VUQRMXHDMOLCHE-NXEZZACHSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@]1(C(=O)NCC[C@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000444264092 193044145 /nfs/dbraw/zinc/04/41/45/193044145.db2.gz ILASMCWOZKKHAU-YPMHNXCESA-N 2 0 239.363 0.634 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H](C)C[NH3+] ZINC000379795341 365272832 /nfs/dbraw/zinc/27/28/32/365272832.db2.gz KGONHJHZQBZWRU-SCZZXKLOSA-N 2 0 201.314 0.071 20 0 BCADRP CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000575194470 365237036 /nfs/dbraw/zinc/23/70/36/365237036.db2.gz IRENFVKOLISRQS-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000575312993 365285592 /nfs/dbraw/zinc/28/55/92/365285592.db2.gz RDIPTFSMVHCITG-CYBMUJFWSA-N 3 0 225.380 0.917 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000575354360 365300687 /nfs/dbraw/zinc/30/06/87/365300687.db2.gz JRKUCMSFWBHHBD-NTZNESFSSA-N 2 0 241.379 0.877 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000575429111 365318170 /nfs/dbraw/zinc/31/81/70/365318170.db2.gz JOYSFFAKNLOPDA-WDEREUQCSA-N 2 0 225.336 0.244 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000336731418 365366857 /nfs/dbraw/zinc/36/68/57/365366857.db2.gz FIAUEADDAAMDHT-SECBINFHSA-N 2 0 213.325 0.502 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000575744813 365349748 /nfs/dbraw/zinc/34/97/48/365349748.db2.gz AFEOIPRJUHGUJP-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]CC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000575748624 365351066 /nfs/dbraw/zinc/35/10/66/365351066.db2.gz ONIPMZGTAKXKNI-VIFPVBQESA-N 2 0 234.303 0.056 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000336597780 365341479 /nfs/dbraw/zinc/34/14/79/365341479.db2.gz MXZDADHKOWGICT-LLVKDONJSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000575921641 365414856 /nfs/dbraw/zinc/41/48/56/365414856.db2.gz GNFSNRMLGWCUJL-AXFHLTTASA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)c1ccc(C[NH3+])cc1 ZINC000575922333 365414929 /nfs/dbraw/zinc/41/49/29/365414929.db2.gz SPRZRQRXFMGVIL-LLVKDONJSA-N 2 0 221.304 0.612 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000575867268 365394559 /nfs/dbraw/zinc/39/45/59/365394559.db2.gz HIQBEJRPPFFVMN-VWYCJHECSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)CC[NH2+]C1CC1)C1CC1 ZINC000575881386 365404094 /nfs/dbraw/zinc/40/40/94/365404094.db2.gz PKTWLHNURNXAQL-LBPRGKRZSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000575804629 365369302 /nfs/dbraw/zinc/36/93/02/365369302.db2.gz WFXBFMQLKWXRRB-BDAKNGLRSA-N 2 0 201.314 0.228 20 0 BCADRP CSC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000575917325 365411973 /nfs/dbraw/zinc/41/19/73/365411973.db2.gz UYPWFQBEWVJSCJ-OUAUKWLOSA-N 2 0 232.393 0.783 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000575916362 365412164 /nfs/dbraw/zinc/41/21/64/365412164.db2.gz DVJQYVFIIZLJGA-SDDRHHMPSA-N 2 0 241.379 0.641 20 0 BCADRP CSC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000575917323 365412319 /nfs/dbraw/zinc/41/23/19/365412319.db2.gz UYPWFQBEWVJSCJ-GMTAPVOTSA-N 2 0 232.393 0.783 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000576001557 365443226 /nfs/dbraw/zinc/44/32/26/365443226.db2.gz CFQGIPFZWODQMS-CMPLNLGQSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000579590402 366894404 /nfs/dbraw/zinc/89/44/04/366894404.db2.gz DYMBZSJMTSKINK-WCABBAIRSA-N 2 0 225.336 0.323 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000576106767 365488968 /nfs/dbraw/zinc/48/89/68/365488968.db2.gz LCQIKESMZZJJOL-UTLUCORTSA-N 2 0 213.325 0.167 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000576146987 365500440 /nfs/dbraw/zinc/50/04/40/365500440.db2.gz VGHZRIXEJLUAPS-QJPTWQEYSA-N 2 0 211.353 0.988 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000579700883 366982783 /nfs/dbraw/zinc/98/27/83/366982783.db2.gz NENOVPVYNZXPGP-GARJFASQSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@H]1C[C@]12CC[NH2+]C2)C(F)F ZINC000579712036 366983073 /nfs/dbraw/zinc/98/30/73/366983073.db2.gz NBPXEBNMQWEOHN-FYBVGQRMSA-N 2 0 247.289 0.085 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N(C)C1CC([NH3+])C1 ZINC000579813592 367018715 /nfs/dbraw/zinc/01/87/15/367018715.db2.gz DAZVYGRGFKIFLK-UHFFFAOYSA-N 2 0 242.367 0.506 20 0 BCADRP [NH3+]CCOc1ccc(NC(=O)C[NH2+]C2CC2)cc1 ZINC000183262125 367006153 /nfs/dbraw/zinc/00/61/53/367006153.db2.gz GQUMDVFLRPJAFD-UHFFFAOYSA-N 2 0 249.314 0.715 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000579833705 367038046 /nfs/dbraw/zinc/03/80/46/367038046.db2.gz FUJVGZNEISFAJR-UHXUPSOCSA-N 2 0 249.358 0.054 20 0 BCADRP OC1CC[NH+](CCC[NH2+]CC2(O)CCC2)CC1 ZINC000579833434 367038457 /nfs/dbraw/zinc/03/84/57/367038457.db2.gz AVEOZTDIDHSSQN-UHFFFAOYSA-N 2 0 242.363 0.338 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000579853766 367053524 /nfs/dbraw/zinc/05/35/24/367053524.db2.gz AKSXQTHWIKMLKA-NWDGAFQWSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)CC[NH2+]C1CC1 ZINC000579858102 367054288 /nfs/dbraw/zinc/05/42/88/367054288.db2.gz QVRKINYWRNAIHE-VHSXEESVSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000579859240 367056078 /nfs/dbraw/zinc/05/60/78/367056078.db2.gz LQGMPVRQMFQSAF-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP CC[NH2+]CCCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000580823070 367176885 /nfs/dbraw/zinc/17/68/85/367176885.db2.gz FEBQJUNDBKNXOG-JTQLQIEISA-N 2 0 230.356 0.269 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000580831987 367181467 /nfs/dbraw/zinc/18/14/67/367181467.db2.gz NKSCUODKALQESI-SRVKXCTJSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H]1OCC[N@H+](CCN2CC[NH2+]CC2)[C@H]1C ZINC000380493563 367224303 /nfs/dbraw/zinc/22/43/03/367224303.db2.gz BLWRMANSKIUWDX-NWDGAFQWSA-N 2 0 227.352 0.001 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000581010774 367233642 /nfs/dbraw/zinc/23/36/42/367233642.db2.gz SYPPBDPQHZQDKC-MWLCHTKSSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000581010767 367234525 /nfs/dbraw/zinc/23/45/25/367234525.db2.gz SYPPBDPQHZQDKC-GXSJLCMTSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@@H]1OCC[N@H+](CCOCC[NH3+])[C@H]1C ZINC000380547755 367237979 /nfs/dbraw/zinc/23/79/79/367237979.db2.gz XTSFRDXPGWYJQW-UWVGGRQHSA-N 2 0 202.298 0.071 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000581309961 367337977 /nfs/dbraw/zinc/33/79/77/367337977.db2.gz AIDILBIFBIOVTJ-AVGNSLFASA-N 3 0 225.380 0.916 20 0 BCADRP FC(F)[C@H]1C[NH2+]CCN1CC[C@H]1CC[NH2+]C1 ZINC000581311177 367339816 /nfs/dbraw/zinc/33/98/16/367339816.db2.gz MAJWEXBSXPUUJV-NXEZZACHSA-N 2 0 233.306 0.525 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000381041909 367340812 /nfs/dbraw/zinc/34/08/12/367340812.db2.gz CMCQINZKQYKEKB-MWLCHTKSSA-N 2 0 213.325 0.311 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000581320629 367347286 /nfs/dbraw/zinc/34/72/86/367347286.db2.gz JOYSFFAKNLOPDA-MNOVXSKESA-N 2 0 225.336 0.244 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[C@H](O)[C@@H](C)C1 ZINC000381084339 367348927 /nfs/dbraw/zinc/34/89/27/367348927.db2.gz SIJGZIDUHOKPNS-SRVKXCTJSA-N 2 0 230.352 0.002 20 0 BCADRP [NH3+]CCCC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000581250376 367309539 /nfs/dbraw/zinc/30/95/39/367309539.db2.gz JDXWPNDBMGMPFV-WDEREUQCSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(C)(C)C[NH3+] ZINC000381373300 367390053 /nfs/dbraw/zinc/39/00/53/367390053.db2.gz IEWWCSTTYOFPRV-BDAKNGLRSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@@H](C(=O)NC1(C)CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000381374471 367390062 /nfs/dbraw/zinc/39/00/62/367390062.db2.gz IMDZLMOHEAZPTN-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP Cc1nc[nH]c1CNC(=O)CC(F)(F)CN ZINC000581377098 367409667 /nfs/dbraw/zinc/40/96/67/367409667.db2.gz BETQPIOEWKEMRG-UHFFFAOYSA-N 2 0 232.234 0.318 20 0 BCADRP C[NH2+]CCC(=O)NCC1(C)CC[NH2+]CC1 ZINC000381505781 367422015 /nfs/dbraw/zinc/42/20/15/367422015.db2.gz SCDRPSSQRUDUBO-UHFFFAOYSA-N 2 0 213.325 0.102 20 0 BCADRP CC[C@@H](COC)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000381215491 367364187 /nfs/dbraw/zinc/36/41/87/367364187.db2.gz FTKLRXANHPHARI-CMPLNLGQSA-N 2 0 230.352 0.456 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000381232583 367367722 /nfs/dbraw/zinc/36/77/22/367367722.db2.gz LDBUDDWPYKSNOU-SCZZXKLOSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000381605800 367437413 /nfs/dbraw/zinc/43/74/13/367437413.db2.gz IKJYCTXVZFAWPR-OPRDCNLKSA-N 2 0 213.325 0.226 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000381623008 367440375 /nfs/dbraw/zinc/44/03/75/367440375.db2.gz FKZCHBSQLSSIQL-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH2+]CC1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000381655301 367444915 /nfs/dbraw/zinc/44/49/15/367444915.db2.gz FBYPYTHVKRICKF-UHFFFAOYSA-N 2 0 213.325 0.182 20 0 BCADRP O[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000382304603 367505537 /nfs/dbraw/zinc/50/55/37/367505537.db2.gz OKWQDFXXGBCTDB-CHWSQXEVSA-N 2 0 224.348 0.974 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CCC[NH2+]3)C[C@@H]21 ZINC000581487972 367518998 /nfs/dbraw/zinc/51/89/98/367518998.db2.gz CYNFDDZBUJJBTO-WRWGMCAJSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000382925341 367568410 /nfs/dbraw/zinc/56/84/10/367568410.db2.gz DFWFGVXOGRFYDN-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000581549337 367577825 /nfs/dbraw/zinc/57/78/25/367577825.db2.gz LISWLRGDOLUPJL-WDSKDSINSA-N 2 0 227.230 0.120 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCCC[NH+](C)C ZINC000382986615 367581204 /nfs/dbraw/zinc/58/12/04/367581204.db2.gz WFVAMEYQTFPQMN-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+]CCCC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000581546753 367574772 /nfs/dbraw/zinc/57/47/72/367574772.db2.gz DZIVUFDQMCQUPM-UHFFFAOYSA-N 2 0 237.303 0.702 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000382974678 367576559 /nfs/dbraw/zinc/57/65/59/367576559.db2.gz SEAIPOPLFGQNEC-CMPLNLGQSA-N 2 0 239.363 0.727 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000382974680 367576791 /nfs/dbraw/zinc/57/67/91/367576791.db2.gz SEAIPOPLFGQNEC-JQWIXIFHSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000383141375 367600536 /nfs/dbraw/zinc/60/05/36/367600536.db2.gz JXOAGOQXEVHOCN-MWLCHTKSSA-N 2 0 237.347 0.480 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NCC2CC[NH2+]CC2)CC[NH2+]1 ZINC000581606938 367630138 /nfs/dbraw/zinc/63/01/38/367630138.db2.gz UXUVCPKWRPUMRV-JQWIXIFHSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)[NH2+]C1CC1)[NH+](C)C ZINC000383359384 367616254 /nfs/dbraw/zinc/61/62/54/367616254.db2.gz MZMAQVXOTYVYIU-BDAKNGLRSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000383644573 367646821 /nfs/dbraw/zinc/64/68/21/367646821.db2.gz CDKUAMJBUBDWQD-WCQYABFASA-N 2 0 243.395 0.371 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C1CCOCC1 ZINC000383679954 367649352 /nfs/dbraw/zinc/64/93/52/367649352.db2.gz QMTLHARXRNLIQU-AAEUAGOBSA-N 2 0 244.379 0.704 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000581656780 367657367 /nfs/dbraw/zinc/65/73/67/367657367.db2.gz QSGNCYUWMOQMGQ-MNOVXSKESA-N 2 0 227.352 0.748 20 0 BCADRP Cc1nc[nH]c1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000581675869 367704326 /nfs/dbraw/zinc/70/43/26/367704326.db2.gz GXHRLGHNYOXASY-SECBINFHSA-N 2 0 236.319 0.676 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000581666174 367665282 /nfs/dbraw/zinc/66/52/82/367665282.db2.gz FKKWETJSZRCUFJ-SECBINFHSA-N 2 0 233.315 0.614 20 0 BCADRP [NH3+]Cc1cc(C(=O)NC[C@@H]([NH3+])C2CC2)co1 ZINC000581666378 367666382 /nfs/dbraw/zinc/66/63/82/367666382.db2.gz ZGDSAZNDIVSKOG-SNVBAGLBSA-N 2 0 223.276 0.205 20 0 BCADRP CC[C@@H](C)C[N@H+](C)C[C@@H](O)CN(C)CCOC ZINC000384040517 367669149 /nfs/dbraw/zinc/66/91/49/367669149.db2.gz UZUPOSRVOHVWHP-OLZOCXBDSA-N 2 0 246.395 0.903 20 0 BCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CC[NH2+]3)CC[C@H]21 ZINC000384742964 367724875 /nfs/dbraw/zinc/72/48/75/367724875.db2.gz GRDFLUKDOXWYNL-IJLUTSLNSA-N 2 0 237.347 0.291 20 0 BCADRP C[NH+](C)CCN(C(=O)[C@H]1CC[NH2+]1)C1CCCC1 ZINC000384775719 367730012 /nfs/dbraw/zinc/73/00/12/367730012.db2.gz JWRQZUBWQPEPTR-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH+](C)C[C@H](NC(=O)[C@H]1CC[NH2+]1)c1ccccc1 ZINC000384819822 367737028 /nfs/dbraw/zinc/73/70/28/367737028.db2.gz OKBDILIHNIAKIN-OLZOCXBDSA-N 2 0 247.342 0.767 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NCC1([NH3+])CCC1 ZINC000332422365 181428746 /nfs/dbraw/zinc/42/87/46/181428746.db2.gz CXHBVWQQPALXCE-WDEREUQCSA-N 2 0 211.353 0.975 20 0 BCADRP CSCCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000069001423 370872249 /nfs/dbraw/zinc/87/22/49/370872249.db2.gz SYYXRFYJMZBODW-LLVKDONJSA-N 2 0 232.393 0.786 20 0 BCADRP CN(Cc1cncn1C)C1(C[NH3+])CCC1 ZINC000385144007 367801619 /nfs/dbraw/zinc/80/16/19/367801619.db2.gz HZCJVDSJVABORZ-UHFFFAOYSA-N 2 0 208.309 0.733 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000581884281 367875035 /nfs/dbraw/zinc/87/50/35/367875035.db2.gz CTGLHFZRBCGONR-VWYCJHECSA-N 2 0 227.352 0.428 20 0 BCADRP COC[C@H](C)C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000087647040 367948342 /nfs/dbraw/zinc/94/83/42/367948342.db2.gz GUVXRXVIEWWPQA-MNOVXSKESA-N 2 0 200.326 0.858 20 0 BCADRP COC[C@@H](C)C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000087647033 367948922 /nfs/dbraw/zinc/94/89/22/367948922.db2.gz GUVXRXVIEWWPQA-WDEREUQCSA-N 2 0 200.326 0.858 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C1([NH3+])CCCCC1 ZINC000566258533 326020895 /nfs/dbraw/zinc/02/08/95/326020895.db2.gz WGUHGVSYDBTTJQ-ZJUUUORDSA-N 2 0 227.352 0.890 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000386730203 368014380 /nfs/dbraw/zinc/01/43/80/368014380.db2.gz AZHJRJRWLJRAGX-LBPRGKRZSA-N 2 0 249.358 0.843 20 0 BCADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](C)O ZINC000386891221 368030918 /nfs/dbraw/zinc/03/09/18/368030918.db2.gz KFSJDJQZKRXYSL-RTWBTXMESA-N 2 0 212.337 0.971 20 0 BCADRP CCCN(C(=O)[C@@H]1CC[NH2+][C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000581992769 368076044 /nfs/dbraw/zinc/07/60/44/368076044.db2.gz WAQXEMDPZBVNDF-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC(C[NH+](C)C)C1 ZINC000615510248 368083989 /nfs/dbraw/zinc/08/39/89/368083989.db2.gz YHPFMILUROHAFA-UHFFFAOYSA-N 2 0 227.352 0.348 20 0 BCADRP C[C@H](CO)[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000252958410 368171082 /nfs/dbraw/zinc/17/10/82/368171082.db2.gz SUXVDDAUGWWEBB-WOPDTQHZSA-N 2 0 230.352 0.050 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[NH+](C)C ZINC000387410280 368172448 /nfs/dbraw/zinc/17/24/48/368172448.db2.gz CNKOZLPXZDMXEK-SNVBAGLBSA-N 2 0 229.368 0.688 20 0 BCADRP C[C@H]([NH3+])CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000566562273 326064213 /nfs/dbraw/zinc/06/42/13/326064213.db2.gz SJMHCOITZFBEHJ-WCFLWFBJSA-N 2 0 241.379 0.552 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000566618256 326068542 /nfs/dbraw/zinc/06/85/42/326068542.db2.gz ALIRLAJFNNJWAS-ZJUUUORDSA-N 2 0 227.352 0.489 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000566716911 326076414 /nfs/dbraw/zinc/07/64/14/326076414.db2.gz PZHVXPAGQQSXCB-OLZOCXBDSA-N 2 0 243.395 0.183 20 0 BCADRP [NH3+]CCCCC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000567236570 326148544 /nfs/dbraw/zinc/14/85/44/326148544.db2.gz KFWVMXYXQIUWCJ-WDEREUQCSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000567236948 326148564 /nfs/dbraw/zinc/14/85/64/326148564.db2.gz VRLUMOFYYODWMO-LOWVWBTDSA-N 2 0 239.363 0.620 20 0 BCADRP COCCN(C)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086404062 368879777 /nfs/dbraw/zinc/87/97/77/368879777.db2.gz NONJGOKILBTKDM-NWDGAFQWSA-N 2 0 229.368 0.424 20 0 BCADRP C[C@@H]1OCC[C@H]1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000631822179 368975963 /nfs/dbraw/zinc/97/59/63/368975963.db2.gz VGJRWNVWSBZPBZ-STQMWFEESA-N 2 0 241.379 0.248 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@H]1CCc2ncnn21 ZINC000631828580 369004069 /nfs/dbraw/zinc/00/40/69/369004069.db2.gz SICNYBJPRJEEGA-SNVBAGLBSA-N 2 0 223.324 0.307 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC000631828579 369004795 /nfs/dbraw/zinc/00/47/95/369004795.db2.gz SICNYBJPRJEEGA-JTQLQIEISA-N 2 0 223.324 0.307 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000091395030 369011423 /nfs/dbraw/zinc/01/14/23/369011423.db2.gz ZTZJYYQOXXGQCS-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631825298 368988394 /nfs/dbraw/zinc/98/83/94/368988394.db2.gz DZPRXPICUOHDDU-NEPJUHHUSA-N 2 0 249.362 0.826 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631825299 368988404 /nfs/dbraw/zinc/98/84/04/368988404.db2.gz DZPRXPICUOHDDU-NWDGAFQWSA-N 2 0 249.362 0.826 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000567383896 326180688 /nfs/dbraw/zinc/18/06/88/326180688.db2.gz CZEBFVFKXACOFD-ZWNOBZJWSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000373862290 181463498 /nfs/dbraw/zinc/46/34/98/181463498.db2.gz HCRHBVPDVHNOPA-NQBHXWOUSA-N 2 0 237.347 0.183 20 0 BCADRP C[C@@H](C(=O)N1CCCC[C@@H]1C[NH+](C)C)[C@H](C)[NH3+] ZINC000404906485 369438283 /nfs/dbraw/zinc/43/82/83/369438283.db2.gz YWVTWGVTKLUCJW-GRYCIOLGSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404969926 369441715 /nfs/dbraw/zinc/44/17/15/369441715.db2.gz KMQCNHPCLUTCIU-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000567822345 326263496 /nfs/dbraw/zinc/26/34/96/326263496.db2.gz NRLOOUXGFIIHGB-LLVKDONJSA-N 2 0 239.363 0.573 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000567847293 326269382 /nfs/dbraw/zinc/26/93/82/326269382.db2.gz HAKQXFMNDQYCON-FOGDFJRCSA-N 2 0 227.352 0.748 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)C1CC1 ZINC000165610186 203385366 /nfs/dbraw/zinc/38/53/66/203385366.db2.gz XHCVVXSBIJHYTG-VXGBXAGGSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000567913873 326282387 /nfs/dbraw/zinc/28/23/87/326282387.db2.gz RDGMCPYMTNDJTE-CMPLNLGQSA-N 2 0 227.352 0.762 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000567925609 326284099 /nfs/dbraw/zinc/28/40/99/326284099.db2.gz PDXAJSREPFPMBF-GUBZILKMSA-N 2 0 245.392 0.324 20 0 BCADRP C[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000620321929 369834207 /nfs/dbraw/zinc/83/42/07/369834207.db2.gz ZLGVMLJDINYZTB-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)CC(F)(F)CN ZINC000568148190 326312826 /nfs/dbraw/zinc/31/28/26/326312826.db2.gz MSOAYGSQFQHMAF-MRVPVSSYSA-N 2 0 237.294 0.460 20 0 BCADRP C([C@H]1CCCCO1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453451 370045587 /nfs/dbraw/zinc/04/55/87/370045587.db2.gz KMTXAAMTLRHZFX-SDDRHHMPSA-N 2 0 210.321 0.707 20 0 BCADRP CC[C@H]1C[N@H+](CCCC(=O)OC)CC[C@H]1[NH3+] ZINC000251905284 369981893 /nfs/dbraw/zinc/98/18/93/369981893.db2.gz XFVUEFFJHRIPDN-WDEREUQCSA-N 2 0 228.336 0.999 20 0 BCADRP CC(C)[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC[NH2+]1 ZINC000621152891 370125845 /nfs/dbraw/zinc/12/58/45/370125845.db2.gz GZOMLWGFISPBMJ-NWDGAFQWSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC[NH2+]1 ZINC000621152890 370126114 /nfs/dbraw/zinc/12/61/14/370126114.db2.gz GZOMLWGFISPBMJ-NEPJUHHUSA-N 2 0 239.363 0.537 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000253171637 370155978 /nfs/dbraw/zinc/15/59/78/370155978.db2.gz JADMSRAGWPDHEP-PWSUYJOCSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000309746774 370253123 /nfs/dbraw/zinc/25/31/23/370253123.db2.gz FULFXGVNYXEXOJ-GUBZILKMSA-N 2 0 213.325 0.038 20 0 BCADRP CC[NH2+]CCCNC(=O)C[NH2+]CC1CC1 ZINC000309548522 370226270 /nfs/dbraw/zinc/22/62/70/370226270.db2.gz CQIWBXDSJCLCJS-UHFFFAOYSA-N 2 0 213.325 0.102 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000309833360 370259472 /nfs/dbraw/zinc/25/94/72/370259472.db2.gz ZFPMKYQWZAJWRZ-WDEREUQCSA-N 3 0 215.341 0.021 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N(C)C1CC[NH2+]CC1 ZINC000309802385 370261914 /nfs/dbraw/zinc/26/19/14/370261914.db2.gz RKUKSLWBGPWUIQ-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000309804894 370263571 /nfs/dbraw/zinc/26/35/71/370263571.db2.gz RWNONPUMBJHRHC-NSHDSACASA-N 2 0 213.325 0.183 20 0 BCADRP C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000309831899 370265577 /nfs/dbraw/zinc/26/55/77/370265577.db2.gz YSQMRVKDWGGRMO-IJLUTSLNSA-N 2 0 211.353 0.655 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@H]1C[C@@]13CC[NH2+]C3)C2 ZINC000621683301 370432748 /nfs/dbraw/zinc/43/27/48/370432748.db2.gz SYSUBIWKAZQVJL-OXHZDVMGSA-N 2 0 249.358 0.326 20 0 BCADRP C[C@]1(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]C1 ZINC000621684075 370433944 /nfs/dbraw/zinc/43/39/44/370433944.db2.gz HFTVBYAKTWIAQH-KGYLQXTDSA-N 2 0 237.347 0.326 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000568271025 326338372 /nfs/dbraw/zinc/33/83/72/326338372.db2.gz QUQUZFOWQQHESZ-NKWVEPMBSA-N 2 0 237.294 0.459 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621620925 370405415 /nfs/dbraw/zinc/40/54/15/370405415.db2.gz MKUMAYOBFJYTFR-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621621258 370405502 /nfs/dbraw/zinc/40/55/02/370405502.db2.gz XHPQTJOCCPYTPQ-LLVKDONJSA-N 2 0 227.352 0.492 20 0 BCADRP O=C(CC[C@H]1CCC[NH2+]C1)N[C@@H]1CC[NH2+]C1 ZINC000621621119 370405520 /nfs/dbraw/zinc/40/55/20/370405520.db2.gz SAUHQZJAPZGYND-GHMZBOCLSA-N 2 0 225.336 0.244 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684353 370434626 /nfs/dbraw/zinc/43/46/26/370434626.db2.gz KWWXTUBWLCNGCV-SRRSOLGSSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684388 370434683 /nfs/dbraw/zinc/43/46/83/370434683.db2.gz LSQZKWTTYFNFBS-HOSYDEDBSA-N 2 0 225.336 0.310 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684728 370434688 /nfs/dbraw/zinc/43/46/88/370434688.db2.gz RKMLWHDJRIDUFF-NGZCFLSTSA-N 2 0 211.309 0.064 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621622767 370407653 /nfs/dbraw/zinc/40/76/53/370407653.db2.gz MGIUIYMVNQQOKH-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000621623134 370407904 /nfs/dbraw/zinc/40/79/04/370407904.db2.gz WMGQLEWADORUDS-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]C1(CC(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC000621684910 370434738 /nfs/dbraw/zinc/43/47/38/370434738.db2.gz VLDMQEXITMBGEZ-MFKMUULPSA-N 2 0 237.347 0.598 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621685123 370434920 /nfs/dbraw/zinc/43/49/20/370434920.db2.gz ZBHZMNIVLOFMNR-QXEWZRGKSA-N 2 0 211.309 0.064 20 0 BCADRP CCC[NH2+]CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621653342 370412815 /nfs/dbraw/zinc/41/28/15/370412815.db2.gz VUORHRAXYBLXAA-LBPRGKRZSA-N 2 0 241.379 0.882 20 0 BCADRP C[C@H]([NH3+])CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621656211 370414709 /nfs/dbraw/zinc/41/47/09/370414709.db2.gz JIACMYKEBNGWMT-UWVGGRQHSA-N 2 0 213.325 0.230 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621666170 370416776 /nfs/dbraw/zinc/41/67/76/370416776.db2.gz KZSAAUJOGJBORO-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP CN(CC[NH3+])C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621665009 370418182 /nfs/dbraw/zinc/41/81/82/370418182.db2.gz NOHQMRZGSWXWLR-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621698642 370445114 /nfs/dbraw/zinc/44/51/14/370445114.db2.gz CBNOSMSGDBYFAP-RNCFNFMXSA-N 2 0 246.314 0.448 20 0 BCADRP [NH3+]C1(CC(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621700446 370446135 /nfs/dbraw/zinc/44/61/35/370446135.db2.gz OWWARTZYOIGGSE-SKDRFNHKSA-N 2 0 223.320 0.208 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621699906 370446576 /nfs/dbraw/zinc/44/65/76/370446576.db2.gz DQQONNJXVVISQZ-BFLSOPEQSA-N 2 0 223.320 0.064 20 0 BCADRP CCn1nccc1CC[NH+]1CCC([NH3+])CC1 ZINC000621774186 370519597 /nfs/dbraw/zinc/51/95/97/370519597.db2.gz MZOUPCMJMJKNAH-UHFFFAOYSA-N 2 0 222.336 0.869 20 0 BCADRP CCn1cc(CC[N@@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000621774409 370519934 /nfs/dbraw/zinc/51/99/34/370519934.db2.gz SRCSGNXZKCISJH-NSHDSACASA-N 2 0 222.336 0.726 20 0 BCADRP CCn1cc(CC[N@H+](C)CCC[NH2+]C)cn1 ZINC000621776585 370525415 /nfs/dbraw/zinc/52/54/15/370525415.db2.gz PMFZTZDOIHCKOO-UHFFFAOYSA-N 2 0 224.352 0.987 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000621777483 370526858 /nfs/dbraw/zinc/52/68/58/370526858.db2.gz CYFWDHPMYWEGFW-OLZOCXBDSA-N 3 0 223.364 0.799 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)c1csc(CC[NH3+])n1 ZINC000568632831 326369789 /nfs/dbraw/zinc/36/97/89/326369789.db2.gz HRIUNQBSVHIKHY-SSDOTTSWSA-N 2 0 242.348 0.111 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN1CC[NH+](C2CCC2)CC1 ZINC000568638873 326370226 /nfs/dbraw/zinc/37/02/26/326370226.db2.gz IVUBZNXPWQAUGO-CYBMUJFWSA-N 2 0 241.379 0.127 20 0 BCADRP Cn1cc(CCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000313838841 370612218 /nfs/dbraw/zinc/61/22/18/370612218.db2.gz AEMUUEGUMAQGGV-BETUJISGSA-N 2 0 234.347 0.504 20 0 BCADRP O[C@H]1CCN(CC[NH2+]C2CCSCC2)C1 ZINC000623836977 371119249 /nfs/dbraw/zinc/11/92/49/371119249.db2.gz SCNXZNWIRFVOIJ-NSHDSACASA-N 2 0 230.377 0.538 20 0 BCADRP C[C@H]([NH2+]CCN1CC[C@H](O)C1)[C@H]1C[C@H]1C ZINC000623838189 371121246 /nfs/dbraw/zinc/12/12/46/371121246.db2.gz JZCVBZXSHHAOLS-RHYQMDGZSA-N 2 0 212.337 0.687 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000568997570 326385548 /nfs/dbraw/zinc/38/55/48/326385548.db2.gz MDPMWNLHZCLLNM-LBPRGKRZSA-N 2 0 225.336 0.198 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000569219295 326395531 /nfs/dbraw/zinc/39/55/31/326395531.db2.gz NXCSLBFYMMLYLZ-ZYHUDNBSSA-N 2 0 225.336 0.054 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000569220340 326395548 /nfs/dbraw/zinc/39/55/48/326395548.db2.gz AOTJETKFXYQUTP-ZYHUDNBSSA-N 2 0 225.336 0.102 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000572644988 326402540 /nfs/dbraw/zinc/40/25/40/326402540.db2.gz SNRNSDLYUCDYMZ-NKWVEPMBSA-N 2 0 241.257 0.366 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCCC[NH3+] ZINC000390545169 371214482 /nfs/dbraw/zinc/21/44/82/371214482.db2.gz MQJIARWHINKEHV-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@H]1CCCCC[NH2+]1)C1CC1 ZINC000372906470 181618378 /nfs/dbraw/zinc/61/83/78/181618378.db2.gz OLOJTWXFHZXNBV-GHMZBOCLSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120195 371319046 /nfs/dbraw/zinc/31/90/46/371319046.db2.gz UHPCJRNVALJYSH-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@]1(C(=O)N2CCC(CC[NH3+])CC2)CCC[NH2+]1 ZINC000572850974 326414930 /nfs/dbraw/zinc/41/49/30/326414930.db2.gz FCERMYOQYYGSHF-ZDUSSCGKSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000572869433 326415905 /nfs/dbraw/zinc/41/59/05/326415905.db2.gz ZVEYMCDYUNQSQP-QJPTWQEYSA-N 2 0 239.363 0.490 20 0 BCADRP CCOC1CC([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000624336548 371486834 /nfs/dbraw/zinc/48/68/34/371486834.db2.gz UCVDSTQUGADWJL-CXQJBGSLSA-N 2 0 228.336 0.210 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000131721301 371659867 /nfs/dbraw/zinc/65/98/67/371659867.db2.gz LIXXWLNBGQJREG-NXEZZACHSA-N 2 0 245.392 0.325 20 0 BCADRP C[C@@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])[C@H]1CCC[NH2+]C1 ZINC000573235627 326436951 /nfs/dbraw/zinc/43/69/51/326436951.db2.gz IWBLYBGMUWYGMZ-MMWGEVLESA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000132424957 371818718 /nfs/dbraw/zinc/81/87/18/371818718.db2.gz ZUOGUJVGMAAGIP-GFCCVEGCSA-N 2 0 239.363 0.666 20 0 BCADRP Cn1cncc1CC[NH2+]Cc1ccc(CO)o1 ZINC000401813513 371822462 /nfs/dbraw/zinc/82/24/62/371822462.db2.gz VVIJZRPCNIYMKF-UHFFFAOYSA-N 2 0 235.287 0.838 20 0 BCADRP O=C(CC1CC[NH2+]CC1)N[C@@H]1CCC[NH2+]C1 ZINC000238144535 181895707 /nfs/dbraw/zinc/89/57/07/181895707.db2.gz JSPSUCKXPGLHFC-LLVKDONJSA-N 2 0 225.336 0.244 20 0 BCADRP COCC[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC000171127183 372336099 /nfs/dbraw/zinc/33/60/99/372336099.db2.gz JKJNKGBETCDKAA-UHFFFAOYSA-N 2 0 245.367 0.021 20 0 BCADRP CC1CC[NH+](CCCNC(=O)C[NH+](C)C)CC1 ZINC000171354243 372543642 /nfs/dbraw/zinc/54/36/42/372543642.db2.gz IGPRPHVMRMWKJS-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP C[N@H+](CCC[NH3+])C[C@H]1CCc2ncnn21 ZINC000631821526 372595309 /nfs/dbraw/zinc/59/53/09/372595309.db2.gz AKICVVQOLZEUMH-SECBINFHSA-N 2 0 209.297 0.046 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631821145 372595590 /nfs/dbraw/zinc/59/55/90/372595590.db2.gz QHQIJVNBDSIJPD-NEPJUHHUSA-N 2 0 249.362 0.697 20 0 BCADRP C[NH2+]CC1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000631821644 372596877 /nfs/dbraw/zinc/59/68/77/372596877.db2.gz FAHMORVGPBTLEZ-LBPRGKRZSA-N 2 0 249.362 0.697 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC000631827403 372607639 /nfs/dbraw/zinc/60/76/39/372607639.db2.gz NSAQHQKOXBTBCH-MNOVXSKESA-N 2 0 249.362 0.743 20 0 BCADRP COCCCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631840039 372607644 /nfs/dbraw/zinc/60/76/44/372607644.db2.gz OUYJDRLELVIVHW-WDEREUQCSA-N 2 0 200.326 0.940 20 0 BCADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000631828750 372609470 /nfs/dbraw/zinc/60/94/70/372609470.db2.gz XIFPKEYTYRNZGT-SRVKXCTJSA-N 2 0 228.336 0.461 20 0 BCADRP [NH3+]CCCN1CCOc2ccc(C[NH3+])cc21 ZINC000631830799 372614638 /nfs/dbraw/zinc/61/46/38/372614638.db2.gz DMROISJUVMGNSK-UHFFFAOYSA-N 2 0 221.304 0.693 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN1CCCCC[C@H]([NH3+])C1 ZINC000631834861 372620277 /nfs/dbraw/zinc/62/02/77/372620277.db2.gz HHUYDRUSFUSQFW-NWDGAFQWSA-N 2 0 229.368 0.160 20 0 BCADRP CCn1cc(CC[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000631836639 372624505 /nfs/dbraw/zinc/62/45/05/372624505.db2.gz DBYONKRRLDXDHF-DGCLKSJQSA-N 2 0 236.363 0.972 20 0 BCADRP CC1([NH+]2CCCC2)CCN(CC[NH3+])CC1 ZINC000631838090 372631116 /nfs/dbraw/zinc/63/11/16/372631116.db2.gz ZYUBPTNDLQSNJN-UHFFFAOYSA-N 2 0 211.353 0.895 20 0 BCADRP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839444 372636825 /nfs/dbraw/zinc/63/68/25/372636825.db2.gz GMCSDBSSHQCHJN-IJLUTSLNSA-N 2 0 241.379 0.768 20 0 BCADRP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839443 372636867 /nfs/dbraw/zinc/63/68/67/372636867.db2.gz GMCSDBSSHQCHJN-GRYCIOLGSA-N 2 0 241.379 0.768 20 0 BCADRP C(CC1CC[NH2+]CC1)CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631847915 372645282 /nfs/dbraw/zinc/64/52/82/372645282.db2.gz HBNXDNFBOGJAQA-STQMWFEESA-N 2 0 223.364 0.812 20 0 BCADRP C(CN1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000631852293 372651218 /nfs/dbraw/zinc/65/12/18/372651218.db2.gz JVLFTPIYGNISLC-UTUOFQBUSA-N 2 0 209.337 0.422 20 0 BCADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631825887 372604079 /nfs/dbraw/zinc/60/40/79/372604079.db2.gz XVWWUDNZUBWDPB-ZYHUDNBSSA-N 2 0 235.335 0.436 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631883877 372671790 /nfs/dbraw/zinc/67/17/90/372671790.db2.gz DACBGVCXHPVEGG-JHJVBQTASA-N 2 0 223.364 0.670 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000631880502 372679876 /nfs/dbraw/zinc/67/98/76/372679876.db2.gz WSUMUKQSEUAJFT-OLZOCXBDSA-N 2 0 243.395 0.229 20 0 BCADRP COCCOCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887895 372682388 /nfs/dbraw/zinc/68/23/88/372682388.db2.gz RJACDIWHNFYIIT-STQMWFEESA-N 2 0 242.363 0.723 20 0 BCADRP C[NH2+]CCCN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888896 372685064 /nfs/dbraw/zinc/68/50/64/372685064.db2.gz CVYPCLUKERFNPX-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP [NH3+]CCCN1C[C@H](C[NH3+])Cc2ccccc21 ZINC000631893866 372687721 /nfs/dbraw/zinc/68/77/21/372687721.db2.gz DBNMLLOWKCRPIE-NSHDSACASA-N 2 0 219.332 0.973 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]CC1)N[C@@H]1CC[NH2+]C1 ZINC000336582677 182019478 /nfs/dbraw/zinc/01/94/78/182019478.db2.gz BGOYNRKTOLJDRM-GHMZBOCLSA-N 2 0 225.336 0.244 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@H]1CCC[NH2+]1 ZINC000364467089 182019493 /nfs/dbraw/zinc/01/94/93/182019493.db2.gz NFQHCNAIMLFFPM-VXGBXAGGSA-N 2 0 239.363 0.634 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]CC1)NC[C@H]1CCC[NH2+]1 ZINC000364467087 182028467 /nfs/dbraw/zinc/02/84/67/182028467.db2.gz NFQHCNAIMLFFPM-NWDGAFQWSA-N 2 0 239.363 0.634 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]CC1)N1CCC[NH2+]CC1 ZINC000336307019 182028698 /nfs/dbraw/zinc/02/86/98/182028698.db2.gz SNTVIAXRJYFYBQ-LBPRGKRZSA-N 2 0 239.363 0.588 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632860672 373194764 /nfs/dbraw/zinc/19/47/64/373194764.db2.gz IQRYDQZQDBIQJA-QJPTWQEYSA-N 2 0 239.363 0.442 20 0 BCADRP [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)C2([NH3+])CC2)C1 ZINC000632869568 373200804 /nfs/dbraw/zinc/20/08/04/373200804.db2.gz QZGJTZWTKNVLTG-JTQLQIEISA-N 2 0 245.326 0.642 20 0 BCADRP C[NH2+]CC(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000632878083 373203934 /nfs/dbraw/zinc/20/39/34/373203934.db2.gz KDNUPCFROBGJHT-JTQLQIEISA-N 2 0 233.315 0.370 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000449608188 205493159 /nfs/dbraw/zinc/49/31/59/205493159.db2.gz FULUUNBHOCHBNP-AXFHLTTASA-N 2 0 227.352 0.474 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000449608189 205494643 /nfs/dbraw/zinc/49/46/43/205494643.db2.gz FULUUNBHOCHBNP-DCAQKATOSA-N 2 0 227.352 0.474 20 0 BCADRP O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000037042423 182115385 /nfs/dbraw/zinc/11/53/85/182115385.db2.gz JJCQTFZKYTWDNO-LBPRGKRZSA-N 2 0 237.347 0.481 20 0 BCADRP O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000037467195 182167826 /nfs/dbraw/zinc/16/78/26/182167826.db2.gz CWYZCZTZCKUNLQ-LBPRGKRZSA-N 2 0 239.363 0.731 20 0 BCADRP O=C(NCC[NH+]1CCCCC1)[C@]1(F)CC[NH2+]C1 ZINC000370762855 182184931 /nfs/dbraw/zinc/18/49/31/182184931.db2.gz BZDCVUKMVFNXGD-LBPRGKRZSA-N 2 0 243.326 0.290 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000414925105 205786887 /nfs/dbraw/zinc/78/68/87/205786887.db2.gz JHHPLGLIROHMOZ-GRYCIOLGSA-N 2 0 211.353 0.716 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000634086310 373953308 /nfs/dbraw/zinc/95/33/08/373953308.db2.gz QHKMCPCCIAWCOX-JTQLQIEISA-N 2 0 228.340 0.037 20 0 BCADRP CN(CC1([NH+](C)C)CCC1)C(=O)C[NH+](C)C ZINC000190154723 205891835 /nfs/dbraw/zinc/89/18/35/205891835.db2.gz BMRXUDLWWGRMDT-UHFFFAOYSA-N 2 0 227.352 0.491 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634269747 374083102 /nfs/dbraw/zinc/08/31/02/374083102.db2.gz IRZXAXTUYFFZBD-QWRGUYRKSA-N 2 0 242.367 0.411 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634269727 374083156 /nfs/dbraw/zinc/08/31/56/374083156.db2.gz IDQIXFQBRSFZRO-GHMZBOCLSA-N 2 0 242.367 0.426 20 0 BCADRP C[NH2+]CCC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634300815 374128309 /nfs/dbraw/zinc/12/83/09/374128309.db2.gz MOMMSFIZYZLSPY-LLVKDONJSA-N 2 0 227.352 0.395 20 0 BCADRP CC(C)[C@H]1CN(C(=O)CC(C)(C)[NH3+])CC[N@@H+]1C ZINC000634300870 374129134 /nfs/dbraw/zinc/12/91/34/374129134.db2.gz NYEYAMVGBCRQRQ-LLVKDONJSA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC[N@@H+]1C ZINC000634301119 374129687 /nfs/dbraw/zinc/12/96/87/374129687.db2.gz XAYHULNCWHJQRU-SDDRHHMPSA-N 2 0 241.379 0.768 20 0 BCADRP CN(C(=O)NC[C@@H]1CCCC[NH2+]1)C1CC([NH3+])C1 ZINC000634271070 374084933 /nfs/dbraw/zinc/08/49/33/374084933.db2.gz RCQNMOGSNOUQEN-YVNMAJEFSA-N 2 0 240.351 0.260 20 0 BCADRP CN(C(=O)NC[C@H]1CCCC[NH2+]1)C1CC([NH3+])C1 ZINC000634271069 374084969 /nfs/dbraw/zinc/08/49/69/374084969.db2.gz RCQNMOGSNOUQEN-HSOILSAZSA-N 2 0 240.351 0.260 20 0 BCADRP CCC[NH2+]CCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634271254 374085128 /nfs/dbraw/zinc/08/51/28/374085128.db2.gz SJWJXDYSTABPQQ-LLVKDONJSA-N 2 0 242.367 0.427 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634271855 374086395 /nfs/dbraw/zinc/08/63/95/374086395.db2.gz WWYCIDWWRLLLRW-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP [NH3+]C1(CNC(=O)NC[C@H]2CCCC[NH2+]2)CCC1 ZINC000634272064 374086882 /nfs/dbraw/zinc/08/68/82/374086882.db2.gz YWNNTJVIGFWLBN-SNVBAGLBSA-N 2 0 240.351 0.309 20 0 BCADRP CO[C@@H](C)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000381628177 374136615 /nfs/dbraw/zinc/13/66/15/374136615.db2.gz NETWEFVFNDJIBQ-RYUDHWBXSA-N 2 0 230.352 0.458 20 0 BCADRP C[NH2+]CCCNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000418303653 205994053 /nfs/dbraw/zinc/99/40/53/205994053.db2.gz DLMMAUZQKCRZEK-MNOVXSKESA-N 2 0 242.367 0.365 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418401925 206018404 /nfs/dbraw/zinc/01/84/04/206018404.db2.gz IFMCRMZPDDLZEX-VHSXEESVSA-N 2 0 228.340 0.006 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418355370 206011335 /nfs/dbraw/zinc/01/13/35/206011335.db2.gz BJLYGTXEHLFWFM-MNOVXSKESA-N 2 0 242.367 0.555 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000418376787 206014813 /nfs/dbraw/zinc/01/48/13/206014813.db2.gz INJZJRLKAUZLMH-NXEZZACHSA-N 2 0 228.340 0.165 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000418388827 206018048 /nfs/dbraw/zinc/01/80/48/206018048.db2.gz VUUFSOCMILMYTH-OUAUKWLOSA-N 2 0 240.351 0.308 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000238116546 182293934 /nfs/dbraw/zinc/29/39/34/182293934.db2.gz HRYMNNLCASPINK-MNOVXSKESA-N 2 0 237.347 0.244 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH2+]1 ZINC000132904783 182302631 /nfs/dbraw/zinc/30/26/31/182302631.db2.gz QHKNBDVDOOMGAJ-IJLUTSLNSA-N 2 0 237.347 0.481 20 0 BCADRP COCCOCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000155884642 206071215 /nfs/dbraw/zinc/07/12/15/206071215.db2.gz YXTCKQAQXUHLQB-NEPJUHHUSA-N 2 0 230.352 0.722 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000132911233 182304117 /nfs/dbraw/zinc/30/41/17/182304117.db2.gz STCNJOBUEJXWHN-UTUOFQBUSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000368705262 182329058 /nfs/dbraw/zinc/32/90/58/182329058.db2.gz ZDDVBLIYVJXAIX-QWRGUYRKSA-N 2 0 225.336 0.387 20 0 BCADRP CC[NH+](CC)CC(=O)NC(C)(C)C[NH+](C)C ZINC000457207636 206121033 /nfs/dbraw/zinc/12/10/33/206121033.db2.gz MUBJLPJLFDREPY-UHFFFAOYSA-N 2 0 229.368 0.785 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000166640727 206142711 /nfs/dbraw/zinc/14/27/11/206142711.db2.gz HCZDGPATVJTESA-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000366503952 182345598 /nfs/dbraw/zinc/34/55/98/182345598.db2.gz GECYDWOUYLQHIO-YCGPCKTQSA-N 2 0 249.358 0.100 20 0 BCADRP O=C(Nc1cccc2c1C[NH2+]CC2)[C@H]1CC[NH2+]C1 ZINC000367652428 182373955 /nfs/dbraw/zinc/37/39/55/182373955.db2.gz DHKNOHACMPEPPO-NSHDSACASA-N 2 0 245.326 0.880 20 0 BCADRP CCNC(=O)[C@H](C)N[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000036908709 170095654 /nfs/dbraw/zinc/09/56/54/170095654.db2.gz RJKXMPYNIGBTPZ-FIQHERPVSA-N 2 0 241.379 0.829 20 0 BCADRP CC[NH+](CC)CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000178940076 134313806 /nfs/dbraw/zinc/31/38/06/134313806.db2.gz WAXTZUXTYVWCHI-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C[C@H]1CCC[NH2+]1 ZINC000162917008 168962002 /nfs/dbraw/zinc/96/20/02/168962002.db2.gz ZWWQBSLRWAYOBM-MNOVXSKESA-N 2 0 227.352 0.762 20 0 BCADRP OCCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000304292173 183056971 /nfs/dbraw/zinc/05/69/71/183056971.db2.gz MNRBQFCRSRJCBK-GFCCVEGCSA-N 2 0 212.337 0.787 20 0 BCADRP OCC[N@H+](CC1CC[NH2+]CC1)C1CCC1 ZINC000228587429 183065962 /nfs/dbraw/zinc/06/59/62/183065962.db2.gz LPSSBQPPJOJNFA-UHFFFAOYSA-N 2 0 212.337 0.833 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C[C@H](C)[NH3+] ZINC000309127452 169002796 /nfs/dbraw/zinc/00/27/96/169002796.db2.gz QHTWBFPKTCECTO-DTWKUNHWSA-N 2 0 201.314 0.357 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000337515961 169006022 /nfs/dbraw/zinc/00/60/22/169006022.db2.gz QBNZROOBCVYUAX-MXWKQRLJSA-N 2 0 227.352 0.700 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NCC[NH+](C)C ZINC000037480395 169007423 /nfs/dbraw/zinc/00/74/23/169007423.db2.gz MTPLEDGJUUGYNT-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH3+] ZINC000309017598 169007565 /nfs/dbraw/zinc/00/75/65/169007565.db2.gz VEGOCFMUVUXJOB-IUCAKERBSA-N 2 0 201.314 0.215 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NCCC[NH2+]C ZINC000083343679 169007707 /nfs/dbraw/zinc/00/77/07/169007707.db2.gz PNIXAEVPMYPRDM-VIFPVBQESA-N 2 0 201.314 0.230 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364559550 169001946 /nfs/dbraw/zinc/00/19/46/169001946.db2.gz LTNPWJVXVWHLAC-NTZNESFSSA-N 2 0 239.363 0.620 20 0 BCADRP CCCN(C(=O)[C@H](C)[C@@H](C)[NH3+])[C@@H]1CC[NH2+]C1 ZINC000191987520 169044923 /nfs/dbraw/zinc/04/49/23/169044923.db2.gz KJNYHLHWIDXDQC-GMTAPVOTSA-N 2 0 227.352 0.570 20 0 BCADRP CCCN(C(=O)[C@H](C)[C@H](C)[NH3+])[C@H]1CC[NH2+]C1 ZINC000249017683 169045068 /nfs/dbraw/zinc/04/50/68/169045068.db2.gz KJNYHLHWIDXDQC-VWYCJHECSA-N 2 0 227.352 0.570 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@H](C)N(C)[C@@H](C)C1 ZINC000358756130 169068041 /nfs/dbraw/zinc/06/80/41/169068041.db2.gz MPAWPVHXWHELIS-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000356394882 169068365 /nfs/dbraw/zinc/06/83/65/169068365.db2.gz PSYDTDHNQBZKJB-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[NH2+]CC1 ZINC000042354529 169068764 /nfs/dbraw/zinc/06/87/64/169068764.db2.gz LOLNDLJBYPLJBJ-UHFFFAOYSA-N 2 0 213.325 0.150 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC ZINC000309644884 169071496 /nfs/dbraw/zinc/07/14/96/169071496.db2.gz PXPVJANGQWROEQ-UHFFFAOYSA-N 2 0 201.314 0.054 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[NH+]1CCCC1 ZINC000355469372 169071543 /nfs/dbraw/zinc/07/15/43/169071543.db2.gz FBAAFDWWMAMBAC-UHFFFAOYSA-N 2 0 227.352 0.540 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000359261530 169071620 /nfs/dbraw/zinc/07/16/20/169071620.db2.gz FFFSSEBNDUQQNT-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP CCC[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000358554226 169071752 /nfs/dbraw/zinc/07/17/52/169071752.db2.gz JDFNRPQVSOJSOV-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000362497641 169067388 /nfs/dbraw/zinc/06/73/88/169067388.db2.gz JDEVWXJJZULEPP-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP O[C@H](C[NH2+]C1CCOCC1)C[NH+]1CCCC1 ZINC000037893095 183222527 /nfs/dbraw/zinc/22/25/27/183222527.db2.gz NXYXEURWIONYRF-GFCCVEGCSA-N 2 0 228.336 0.212 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000378204440 169121455 /nfs/dbraw/zinc/12/14/55/169121455.db2.gz WDTBOHHRSFKGGJ-GFCCVEGCSA-N 2 0 245.342 0.536 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000249077697 169121513 /nfs/dbraw/zinc/12/15/13/169121513.db2.gz RFFKIWUPCLCCGI-QWRGUYRKSA-N 2 0 229.368 0.818 20 0 BCADRP Oc1cccc(C[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000083362614 183289805 /nfs/dbraw/zinc/28/98/05/183289805.db2.gz IHSJBSVSPMUWCM-UHFFFAOYSA-N 2 0 235.331 0.387 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C[NH+](C)C ZINC000125537379 169156135 /nfs/dbraw/zinc/15/61/35/169156135.db2.gz RHADNTPOBZDWND-UHFFFAOYSA-N 2 0 215.341 0.348 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000356974959 169158688 /nfs/dbraw/zinc/15/86/88/169158688.db2.gz BXTITOHDDAFNJW-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP CCC[NH+]1CCC([N@H+](C)CCOCC[NH3+])CC1 ZINC000357109363 169187371 /nfs/dbraw/zinc/18/73/71/169187371.db2.gz VUEKQJCRVSEORP-UHFFFAOYSA-N 3 0 243.395 0.768 20 0 BCADRP CCC[NH+]1CCC(NC(=O)CC[NH2+]C)CC1 ZINC000043605919 169187879 /nfs/dbraw/zinc/18/78/79/169187879.db2.gz LTTKNAWCPXBNTN-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000040829685 169188152 /nfs/dbraw/zinc/18/81/52/169188152.db2.gz YBXIWKBQDIKTBX-LBPRGKRZSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[NH+]1CCC(NC[C@@H](O)C[NH+](C)C)CC1 ZINC000049555209 169188808 /nfs/dbraw/zinc/18/88/08/169188808.db2.gz CRMQBDFHUYDWBU-CYBMUJFWSA-N 2 0 243.395 0.373 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000125997210 169200056 /nfs/dbraw/zinc/20/00/56/169200056.db2.gz RMFHSQFVUOTJPI-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP CCC[NH2+]CCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000236767974 169258140 /nfs/dbraw/zinc/25/81/40/169258140.db2.gz SMFUVLUSVWKNMN-SNVBAGLBSA-N 2 0 245.392 0.197 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000236782358 169258659 /nfs/dbraw/zinc/25/86/59/169258659.db2.gz IMAISDCPMRTMSJ-ZDUSSCGKSA-N 2 0 249.358 0.845 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]([NH3+])[C@H](C)CC ZINC000236800282 169259285 /nfs/dbraw/zinc/25/92/85/169259285.db2.gz SPFQGVSVPKRFQM-NXEZZACHSA-N 2 0 215.341 0.476 20 0 BCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C[NH3+] ZINC000178818695 134315477 /nfs/dbraw/zinc/31/54/77/134315477.db2.gz DBCOKANGHBDHIJ-JTQLQIEISA-N 2 0 213.325 0.278 20 0 BCADRP CCCS(=O)(=O)CCN1CC[C@H](C[NH3+])C1 ZINC000226419737 169329520 /nfs/dbraw/zinc/32/95/20/169329520.db2.gz BFYDNJWNZMFWFO-SNVBAGLBSA-N 2 0 234.365 0.092 20 0 BCADRP c1cnn(CC[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000336418715 183500059 /nfs/dbraw/zinc/50/00/59/183500059.db2.gz BBCIYILJVNLZIH-UHFFFAOYSA-N 2 0 234.347 0.959 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)NCC[C@@H]1CCC[NH2+]1 ZINC000309509973 169389567 /nfs/dbraw/zinc/38/95/67/169389567.db2.gz XACXLMJKTUDZLD-VHSXEESVSA-N 2 0 213.325 0.372 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000038089329 169388952 /nfs/dbraw/zinc/38/89/52/169388952.db2.gz VYYOGWPNJYLODT-DTWKUNHWSA-N 2 0 201.314 0.180 20 0 BCADRP CCC[NH+]1CCC([NH2+]CC[C@@H](O)COC)CC1 ZINC000223821385 134342984 /nfs/dbraw/zinc/34/29/84/134342984.db2.gz XXOJONAPQDJMOV-CYBMUJFWSA-N 2 0 244.379 0.848 20 0 BCADRP CC1(CNC(=O)[C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000183389384 134351017 /nfs/dbraw/zinc/35/10/17/134351017.db2.gz LZWPTLDZGHBASC-LLVKDONJSA-N 2 0 239.363 0.492 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C[C@@H](C)[NH3+] ZINC000226397223 134364949 /nfs/dbraw/zinc/36/49/49/134364949.db2.gz MTNSINHKECHIKY-NXEZZACHSA-N 2 0 215.341 0.570 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000185412819 134380158 /nfs/dbraw/zinc/38/01/58/134380158.db2.gz NFMUIYOAQWYHPD-NEPJUHHUSA-N 2 0 239.363 0.762 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)C1CC[NH+](C)CC1 ZINC000048112400 383840018 /nfs/dbraw/zinc/84/00/18/383840018.db2.gz OCDDDRIZMXDIOF-JTQLQIEISA-N 2 0 213.325 0.276 20 0 BCADRP CC[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000648124672 383845900 /nfs/dbraw/zinc/84/59/00/383845900.db2.gz AVBJOUZARDYZMP-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000648124673 383845983 /nfs/dbraw/zinc/84/59/83/383845983.db2.gz AVBJOUZARDYZMP-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000648124828 383851595 /nfs/dbraw/zinc/85/15/95/383851595.db2.gz CXLAJNZRLBVHID-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178575760 383854361 /nfs/dbraw/zinc/85/43/61/383854361.db2.gz ZVVILCXIDXLPSM-AEJSXWLSSA-N 2 0 213.325 0.167 20 0 BCADRP C[NH2+][C@H]1CCCN(CCOCCOC)C1 ZINC000070028340 383855303 /nfs/dbraw/zinc/85/53/03/383855303.db2.gz FFNOJGULNWJABK-NSHDSACASA-N 2 0 216.325 0.333 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCn2cncc2C1 ZINC000642899120 383915060 /nfs/dbraw/zinc/91/50/60/383915060.db2.gz SXSFXTIKUGRZBS-GFCCVEGCSA-N 2 0 248.330 0.710 20 0 BCADRP Cn1cnnc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000569363847 383918297 /nfs/dbraw/zinc/91/82/97/383918297.db2.gz NPBXYMAQWDGWQX-GFCCVEGCSA-N 2 0 249.362 0.637 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647148207 383892773 /nfs/dbraw/zinc/89/27/73/383892773.db2.gz JDHGYFLBRZGPBJ-DJLDLDEBSA-N 2 0 222.292 0.960 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000348153641 383906572 /nfs/dbraw/zinc/90/65/72/383906572.db2.gz DFBGPUXQCUUXLR-OPRDCNLKSA-N 2 0 213.325 0.086 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000648126238 383984268 /nfs/dbraw/zinc/98/42/68/383984268.db2.gz CRPCKEDNKAGXTD-WZRBSPASSA-N 2 0 239.363 0.714 20 0 BCADRP CC1(NC(=O)c2ccc(C[NH3+])o2)CC[NH2+]CC1 ZINC000648126507 383992202 /nfs/dbraw/zinc/99/22/02/383992202.db2.gz LLQXWRPPFPMBGV-UHFFFAOYSA-N 2 0 237.303 0.610 20 0 BCADRP C[NH2+]C1CCN([C@@H](C)CN2CCOCC2)CC1 ZINC000518535773 383992883 /nfs/dbraw/zinc/99/28/83/383992883.db2.gz KLLMHEBALPZMPR-LBPRGKRZSA-N 2 0 241.379 0.391 20 0 BCADRP CC1(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000564968885 383966681 /nfs/dbraw/zinc/96/66/81/383966681.db2.gz KHDZWZPNUDBGFO-NSHDSACASA-N 2 0 239.363 0.573 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091392898 383970378 /nfs/dbraw/zinc/97/03/78/383970378.db2.gz TWWFBWXKECPGTA-WOPDTQHZSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000300055633 383974507 /nfs/dbraw/zinc/97/45/07/383974507.db2.gz JASZTQHZGCOSBE-VWYCJHECSA-N 2 0 227.352 0.441 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)CC[NH3+])C1CCCCC1 ZINC000237190449 383976475 /nfs/dbraw/zinc/97/64/75/383976475.db2.gz QINYZPYBMLZKRJ-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP Cc1ccc(NCCCNC(=O)CC[NH3+])nc1 ZINC000262659174 383977249 /nfs/dbraw/zinc/97/72/49/383977249.db2.gz WOCFLUGJMVLNIE-UHFFFAOYSA-N 2 0 236.319 0.657 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(C)(C)[NH3+])C1 ZINC000237182322 383977691 /nfs/dbraw/zinc/97/76/91/383977691.db2.gz TYNRKISXIHYDQM-NXEZZACHSA-N 2 0 227.352 0.713 20 0 BCADRP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OCC1CCC1 ZINC000642680543 384042932 /nfs/dbraw/zinc/04/29/32/384042932.db2.gz WUXVNEPWJTWPHB-BETUJISGSA-N 2 0 224.348 0.954 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)C[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000648127716 384053034 /nfs/dbraw/zinc/05/30/34/384053034.db2.gz PYPDCSBSZZJAFJ-DCAQKATOSA-N 2 0 225.336 0.195 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000648130151 384086349 /nfs/dbraw/zinc/08/63/49/384086349.db2.gz LDGDGYSQUDMCMQ-WZRBSPASSA-N 2 0 237.347 0.326 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000648127938 384057909 /nfs/dbraw/zinc/05/79/09/384057909.db2.gz RXWWRNRVAUKPMR-UWVGGRQHSA-N 2 0 227.352 0.761 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC[NH2+][C@H](C)[C@H]2C)CC[N@@H+]1C ZINC000648127918 384057938 /nfs/dbraw/zinc/05/79/38/384057938.db2.gz OORPBVFTKBLXBW-DDHJBXDOSA-N 2 0 239.363 0.535 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)CC[N@@H+]1C ZINC000648127919 384058512 /nfs/dbraw/zinc/05/85/12/384058512.db2.gz OORPBVFTKBLXBW-IRCOFANPSA-N 2 0 239.363 0.535 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCCCn1ccnc1 ZINC000069839032 384065398 /nfs/dbraw/zinc/06/53/98/384065398.db2.gz QAOPWIWZANTWGF-SNVBAGLBSA-N 2 0 224.308 0.517 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC[N@@H+]1C ZINC000648128831 384073476 /nfs/dbraw/zinc/07/34/76/384073476.db2.gz SVLNFRIAJOKTDW-DDHJBXDOSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000449381370 384099126 /nfs/dbraw/zinc/09/91/26/384099126.db2.gz RSWFMIDGLQJYMJ-GWOFURMSSA-N 2 0 225.336 0.051 20 0 BCADRP C[C@@H](O)[C@@H](C)[NH2+]C[C@H](O)CN1CCCCC1 ZINC000564976174 384103049 /nfs/dbraw/zinc/10/30/49/384103049.db2.gz SNIDWNKOEMJOCO-UTUOFQBUSA-N 2 0 230.352 0.192 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CCC(C)(C)[NH3+] ZINC000648131975 384109036 /nfs/dbraw/zinc/10/90/36/384109036.db2.gz ABJCGCVAAKQGNS-UWVGGRQHSA-N 2 0 245.342 0.662 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000449385569 384132419 /nfs/dbraw/zinc/13/24/19/384132419.db2.gz GCGWQBBSXIWLMZ-QWRGUYRKSA-N 2 0 241.379 0.736 20 0 BCADRP CC(C)CNC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000302349985 384148798 /nfs/dbraw/zinc/14/87/98/384148798.db2.gz JZNAGGFJCNNQTA-LLVKDONJSA-N 2 0 245.367 0.054 20 0 BCADRP C[C@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCC[NH2+]C1 ZINC000648140898 384171839 /nfs/dbraw/zinc/17/18/39/384171839.db2.gz PGRLKNPKETVYJM-NHCYSSNCSA-N 2 0 243.326 0.192 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)c1ccc(C[NH3+])o1 ZINC000648141526 384172023 /nfs/dbraw/zinc/17/20/23/384172023.db2.gz XNGCGYTURUJLQX-UHFFFAOYSA-N 2 0 239.319 0.986 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648139910 384169346 /nfs/dbraw/zinc/16/93/46/384169346.db2.gz MGUUYABAFKSLHO-ZNSHCXBVSA-N 2 0 225.336 0.086 20 0 BCADRP [NH3+]CCCCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000081018096 384177974 /nfs/dbraw/zinc/17/79/74/384177974.db2.gz FSQBGPSOGZEZOL-SNVBAGLBSA-N 2 0 213.325 0.374 20 0 BCADRP Cn1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)nn1 ZINC000236104232 384182303 /nfs/dbraw/zinc/18/23/03/384182303.db2.gz BLVFYMOBTRXIFQ-JTQLQIEISA-N 2 0 223.324 0.376 20 0 BCADRP Cc1cnccc1NC(=O)[C@@H]1CSCN1 ZINC000082523263 384234694 /nfs/dbraw/zinc/23/46/94/384234694.db2.gz ZRTZRRFPRCMXJY-VIFPVBQESA-N 2 0 223.301 0.991 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000336618691 384240170 /nfs/dbraw/zinc/24/01/70/384240170.db2.gz HRVKDCSKFPJXMP-NWDGAFQWSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000237464498 384221787 /nfs/dbraw/zinc/22/17/87/384221787.db2.gz NQGWWFAHDKQRTL-WISYIIOYSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NCc1cnc2cnccn12 ZINC000333122940 384226434 /nfs/dbraw/zinc/22/64/34/384226434.db2.gz IOJYLDBAAFLLFT-JQWIXIFHSA-N 2 0 245.330 0.959 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000644164764 384243937 /nfs/dbraw/zinc/24/39/37/384243937.db2.gz KGRJIJNGWKLWKG-LYFYHCNISA-N 2 0 241.257 0.366 20 0 BCADRP C[C@@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CCCC[NH2+]1 ZINC000237504369 384247053 /nfs/dbraw/zinc/24/70/53/384247053.db2.gz GTDDMHGISCHHBB-PWSUYJOCSA-N 2 0 225.336 0.372 20 0 BCADRP Cn1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000069626450 384247780 /nfs/dbraw/zinc/24/77/80/384247780.db2.gz ZYQICTMNKOMLDY-NSHDSACASA-N 2 0 222.336 0.981 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC000228471748 384258484 /nfs/dbraw/zinc/25/84/84/384258484.db2.gz HPLZQRKEVJVMPY-YNEHKIRRSA-N 2 0 234.347 0.942 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(C[C@H]2CCC[NH2+]C2)CCO1 ZINC000647506735 384308529 /nfs/dbraw/zinc/30/85/29/384308529.db2.gz BCJGYOMFTSRZCK-SDDRHHMPSA-N 2 0 227.352 0.034 20 0 BCADRP c1cn(CC[N@@H+]2CCOC[C@@H]2C2CC2)cn1 ZINC000133750399 384310514 /nfs/dbraw/zinc/31/05/14/384310514.db2.gz OIXRQIZTCQHAKD-GFCCVEGCSA-N 2 0 221.304 0.994 20 0 BCADRP C[C@@H](CCC[NH3+])[NH2+]CCN1CCSCC1 ZINC000308820302 384311439 /nfs/dbraw/zinc/31/14/39/384311439.db2.gz JMJWQFRAHPSWMD-NSHDSACASA-N 2 0 231.409 0.752 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)CO1 ZINC000401937467 384313747 /nfs/dbraw/zinc/31/37/47/384313747.db2.gz CXPVYJBADZEOSL-QWRGUYRKSA-N 2 0 228.336 0.210 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)CO1 ZINC000401910428 384283156 /nfs/dbraw/zinc/28/31/56/384283156.db2.gz KOENAMCNWNXZMB-OLZOCXBDSA-N 2 0 241.379 0.391 20 0 BCADRP CC(C)[C@H](Cn1cccn1)[NH2+]CCC[NH3+] ZINC000308785607 384290821 /nfs/dbraw/zinc/29/08/21/384290821.db2.gz FVHVPDSPIUKTQQ-NSHDSACASA-N 2 0 210.325 0.846 20 0 BCADRP C[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370773196 384294821 /nfs/dbraw/zinc/29/48/21/384294821.db2.gz NAVSNAVGFMAKOW-NNYUYHANSA-N 2 0 237.347 0.276 20 0 BCADRP COC[C@H]([NH2+][C@H]1CCCNC1)C(C)C ZINC000083397992 384295970 /nfs/dbraw/zinc/29/59/70/384295970.db2.gz CXKSPUVQIQEAPO-QWRGUYRKSA-N 2 0 200.326 0.999 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C1([NH3+])CC1 ZINC000083835725 384337004 /nfs/dbraw/zinc/33/70/04/384337004.db2.gz UULDYWFXHLTPIW-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000648179589 384345427 /nfs/dbraw/zinc/34/54/27/384345427.db2.gz IEILVIOVLBFASC-WISYIIOYSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)([NH3+])CC(=O)NC(C)(C)CC[NH3+] ZINC000648179397 384334077 /nfs/dbraw/zinc/33/40/77/384334077.db2.gz RAULLPDSCUYQHF-UHFFFAOYSA-N 2 0 201.314 0.357 20 0 BCADRP CC(C)([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000335630165 384403563 /nfs/dbraw/zinc/40/35/63/384403563.db2.gz UIERHUVWARZUID-BDAKNGLRSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)CCC(C)(C)[NH3+] ZINC000648144899 384408593 /nfs/dbraw/zinc/40/85/93/384408593.db2.gz GQZWXTBAJBDSBF-HTQZYQBOSA-N 2 0 201.314 0.356 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000262772545 384409783 /nfs/dbraw/zinc/40/97/83/384409783.db2.gz MOYWJKUGABZMNW-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CCC[NH2+]C2)CCCC[NH2+]1 ZINC000237769819 384375734 /nfs/dbraw/zinc/37/57/34/384375734.db2.gz PFBIFGWMVPGZHQ-CMPLNLGQSA-N 2 0 225.336 0.387 20 0 BCADRP C[C@]1(CN2CCC[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000335603758 384376596 /nfs/dbraw/zinc/37/65/96/384376596.db2.gz USIVHMHXAXOQEG-RYUDHWBXSA-N 2 0 211.353 0.657 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169032861 384389613 /nfs/dbraw/zinc/38/96/13/384389613.db2.gz NOBNJLNNGAMAKA-DCAQKATOSA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000169032941 384389997 /nfs/dbraw/zinc/38/99/97/384389997.db2.gz NOBNJLNNGAMAKA-MXWKQRLJSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648145235 384445097 /nfs/dbraw/zinc/44/50/97/384445097.db2.gz VBMMZCVLNUREPN-FXQIFTODSA-N 2 0 235.278 0.083 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)c1ccccc1CC[NH2+]C ZINC000648145901 384447889 /nfs/dbraw/zinc/44/78/89/384447889.db2.gz XTMXZIPUYHMZAY-GFCCVEGCSA-N 2 0 249.358 0.916 20 0 BCADRP CN1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C(C)(C)C1=O ZINC000335655150 384451900 /nfs/dbraw/zinc/45/19/00/384451900.db2.gz ADJQBHDWCIPOPE-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000565539962 384428637 /nfs/dbraw/zinc/42/86/37/384428637.db2.gz RWWVGVVQIZCLHO-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP CC1(C(=O)NC2CC[NH+](C3CC3)CC2)C[NH2+]C1 ZINC000335649591 384428959 /nfs/dbraw/zinc/42/89/59/384428959.db2.gz OAEXQTBWYASXTG-UHFFFAOYSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H](CNC(=O)C1([NH3+])CCC1)C[NH+]1CCCC1 ZINC000148254050 384462927 /nfs/dbraw/zinc/46/29/27/384462927.db2.gz XTTQKTHQEUBVBL-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000249027683 384464439 /nfs/dbraw/zinc/46/44/39/384464439.db2.gz LREFDHZQOFQHFJ-NAKRPEOUSA-N 2 0 239.363 0.711 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000249027686 384464468 /nfs/dbraw/zinc/46/44/68/384464468.db2.gz LREFDHZQOFQHFJ-VPOLOUISSA-N 2 0 239.363 0.711 20 0 BCADRP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000397317363 384473947 /nfs/dbraw/zinc/47/39/47/384473947.db2.gz LRPOOXYWNDYJPB-GMTAPVOTSA-N 2 0 227.352 0.380 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)[C@H](C)[NH3+])CC1 ZINC000037041697 384474413 /nfs/dbraw/zinc/47/44/13/384474413.db2.gz POHUAUUGHCAMTM-VIFPVBQESA-N 2 0 213.325 0.323 20 0 BCADRP [NH3+]CCC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180593 384481557 /nfs/dbraw/zinc/48/15/57/384481557.db2.gz IWBLMBYHDSQVFF-SECBINFHSA-N 2 0 211.309 0.126 20 0 BCADRP [NH3+]CCCC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180865 384484593 /nfs/dbraw/zinc/48/45/93/384484593.db2.gz SBYULXJUNKEFLS-JTQLQIEISA-N 2 0 225.336 0.516 20 0 BCADRP CN(C(=O)CCC(C)(C)[NH3+])[C@H](C[NH3+])C1CC1 ZINC000648176679 384501018 /nfs/dbraw/zinc/50/10/18/384501018.db2.gz HTEPKQFKUGCVHM-SNVBAGLBSA-N 2 0 227.352 0.700 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000565598310 384502400 /nfs/dbraw/zinc/50/24/00/384502400.db2.gz XZLTXFHTGLRXNT-NWDGAFQWSA-N 2 0 239.363 0.444 20 0 BCADRP CN(C(=O)c1ccc(C[NH3+])o1)C1(C[NH3+])CCC1 ZINC000648147123 384503078 /nfs/dbraw/zinc/50/30/78/384503078.db2.gz ULWDESNJKIZYLX-UHFFFAOYSA-N 2 0 237.303 0.692 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000037484149 384505366 /nfs/dbraw/zinc/50/53/66/384505366.db2.gz ZPNTVKWFQUGPAH-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C[C@H]1[NH3+] ZINC000648176812 384506011 /nfs/dbraw/zinc/50/60/11/384506011.db2.gz ODXPANGRORCVOB-IWSPIJDZSA-N 2 0 247.289 0.037 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000238080762 384487700 /nfs/dbraw/zinc/48/77/00/384487700.db2.gz DXYPPPXONOWGSV-VXGBXAGGSA-N 2 0 239.363 0.762 20 0 BCADRP COC(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397343503 384534329 /nfs/dbraw/zinc/53/43/29/384534329.db2.gz WVVZAQYKXPNVKZ-GUBZILKMSA-N 2 0 214.309 0.465 20 0 BCADRP CN(C(=O)C[C@@H]1CC[NH2+]C1)C1(C[NH3+])CCC1 ZINC000648147214 384518766 /nfs/dbraw/zinc/51/87/66/384518766.db2.gz FHZRAQMGKZVHIL-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP C[NH+](C)CCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000019505831 384525816 /nfs/dbraw/zinc/52/58/16/384525816.db2.gz QWIBQZRWSRTLFY-GFCCVEGCSA-N 2 0 235.331 0.754 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000648177287 384542561 /nfs/dbraw/zinc/54/25/61/384542561.db2.gz QURSKHVSQMWWOU-SFYZADRCSA-N 2 0 201.314 0.213 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000236649728 384543652 /nfs/dbraw/zinc/54/36/52/384543652.db2.gz FGCQMWJJAUSJAV-LBPRGKRZSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)C(N)=O ZINC000183639389 384543960 /nfs/dbraw/zinc/54/39/60/384543960.db2.gz BZDPNFHLYPCUBC-MXWKQRLJSA-N 2 0 241.379 0.816 20 0 BCADRP OCCC[N@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000643057896 384562903 /nfs/dbraw/zinc/56/29/03/384562903.db2.gz XDDMMYADGTUWMX-NSHDSACASA-N 2 0 212.337 0.833 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C[NH2+]C1CC1)C1CCCC1 ZINC000561194397 384555685 /nfs/dbraw/zinc/55/56/85/384555685.db2.gz IKJNKFXCSNFQMW-LLVKDONJSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H](C)C[NH3+])[NH+](C)C ZINC000236719929 384556538 /nfs/dbraw/zinc/55/65/38/384556538.db2.gz LKLIFBYWLBFRAT-VHSXEESVSA-N 2 0 215.341 0.284 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C1(C[NH3+])CCC1 ZINC000561195181 384558184 /nfs/dbraw/zinc/55/81/84/384558184.db2.gz BGYUYOIHEQDHHZ-VHSXEESVSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@H](C(=O)NCCC[NH3+])[NH+]1CCCCC1 ZINC000236806478 384575453 /nfs/dbraw/zinc/57/54/53/384575453.db2.gz UBXLSULFIZEKDW-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000236843177 384591086 /nfs/dbraw/zinc/59/10/86/384591086.db2.gz MNIVHKJWTOONEC-GFCCVEGCSA-N 2 0 229.368 0.818 20 0 BCADRP CC[NH+](CC)CC(=O)NC1(C[NH3+])CCCC1 ZINC000236841746 384588402 /nfs/dbraw/zinc/58/84/02/384588402.db2.gz ABRMHHFSRJWNPQ-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H](C[NH3+])CC(C)C ZINC000236843035 384588719 /nfs/dbraw/zinc/58/87/19/384588719.db2.gz FWKKYXQZVJLHJX-NSHDSACASA-N 2 0 229.368 0.818 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000236837772 384589871 /nfs/dbraw/zinc/58/98/71/384589871.db2.gz GTMLFNUQUVWHDW-NWDGAFQWSA-N 2 0 241.379 0.914 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000258324965 384566072 /nfs/dbraw/zinc/56/60/72/384566072.db2.gz DLNYFYWTGWHIIM-WDEREUQCSA-N 2 0 240.351 0.180 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000236842691 384590145 /nfs/dbraw/zinc/59/01/45/384590145.db2.gz IOGLUQNORGYFMR-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000041680238 384632771 /nfs/dbraw/zinc/63/27/71/384632771.db2.gz MBCWGZYRPIFBJW-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP C[N@H+](CCOCC[NH3+])CC[C@H]1CCOC1 ZINC000400705300 384615587 /nfs/dbraw/zinc/61/55/87/384615587.db2.gz QHCSEPWOJDASQF-NSHDSACASA-N 2 0 216.325 0.320 20 0 BCADRP CNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000183838467 384602015 /nfs/dbraw/zinc/60/20/15/384602015.db2.gz SMGXMCTUQBQUPT-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H](CC(=O)NCC1C[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000646901645 384670181 /nfs/dbraw/zinc/67/01/81/384670181.db2.gz IDCLXPOYQZHXJF-JQWIXIFHSA-N 2 0 239.363 0.348 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185025987 384672261 /nfs/dbraw/zinc/67/22/61/384672261.db2.gz PDUURGHFJVLASK-QCNOEVLYSA-N 2 0 239.363 0.556 20 0 BCADRP C[C@H](CC(=O)NCC1C[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000646901647 384673082 /nfs/dbraw/zinc/67/30/82/384673082.db2.gz IDCLXPOYQZHXJF-ZYHUDNBSSA-N 2 0 239.363 0.348 20 0 BCADRP C[C@H]1C[C@H](C)C[NH+](CCOCC[NH3+])C1 ZINC000086435354 384651153 /nfs/dbraw/zinc/65/11/53/384651153.db2.gz QNOJPOGHVPDAFA-QWRGUYRKSA-N 2 0 200.326 0.940 20 0 BCADRP CO[C@]1(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CCOC1 ZINC000359427364 384725990 /nfs/dbraw/zinc/72/59/90/384725990.db2.gz PGRYPESBZFOEHF-XQQFMLRXSA-N 2 0 242.363 0.722 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)c1c[nH+]ccc1N ZINC000444160654 384678261 /nfs/dbraw/zinc/67/82/61/384678261.db2.gz PBNJWFQGQXILIR-UHFFFAOYSA-N 2 0 236.319 0.741 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449604196 384691441 /nfs/dbraw/zinc/69/14/41/384691441.db2.gz SOTFTZWSUHUCGQ-IUCAKERBSA-N 2 0 201.314 0.180 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000363684996 384692983 /nfs/dbraw/zinc/69/29/83/384692983.db2.gz CIVYEJPGYYSQOI-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH3+])cc1 ZINC000449605005 384694411 /nfs/dbraw/zinc/69/44/11/384694411.db2.gz VLZXECUJOQTSRV-UMNHJUIQSA-N 2 0 235.331 0.847 20 0 BCADRP Cn1nncc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545771 384726895 /nfs/dbraw/zinc/72/68/95/384726895.db2.gz PUBKILNSYWAKNS-NEPJUHHUSA-N 2 0 249.362 0.637 20 0 BCADRP Cn1nncc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545774 384727256 /nfs/dbraw/zinc/72/72/56/384727256.db2.gz PUBKILNSYWAKNS-VXGBXAGGSA-N 2 0 249.362 0.637 20 0 BCADRP C[C@H](C(=O)NCC1C[NH2+]C1)[C@H]([NH3+])c1ccccc1 ZINC000646901963 384708326 /nfs/dbraw/zinc/70/83/26/384708326.db2.gz WBOJQCKYVUIKDC-GWCFXTLKSA-N 2 0 247.342 0.658 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000236872452 384713793 /nfs/dbraw/zinc/71/37/93/384713793.db2.gz IKYNDNUDLLEAKS-RYUDHWBXSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1C[C@H]3C[C@H]3[NH2+]1)C2 ZINC000634743757 384716289 /nfs/dbraw/zinc/71/62/89/384716289.db2.gz CVQZZUBCTDCPTI-BLUODKFWSA-N 2 0 249.358 0.195 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000086932298 384721315 /nfs/dbraw/zinc/72/13/15/384721315.db2.gz MHILTEGARHRASF-OPRDCNLKSA-N 2 0 211.309 0.029 20 0 BCADRP C[N@@H+]1CC[C@@H](c2nc(C3([NH3+])CCC3)no2)C1 ZINC000518183948 384776281 /nfs/dbraw/zinc/77/62/81/384776281.db2.gz QZRQSJKZQOCXPF-MRVPVSSYSA-N 2 0 222.292 0.827 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368371904 384776879 /nfs/dbraw/zinc/77/68/79/384776879.db2.gz YPRFEQOEIKYLFC-GVXVVHGQSA-N 2 0 239.363 0.714 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH2+]C)C1 ZINC000236874097 384730297 /nfs/dbraw/zinc/73/02/97/384730297.db2.gz FXLWEVIRAGQZST-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP CCNCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546370 384731015 /nfs/dbraw/zinc/73/10/15/384731015.db2.gz HTBKSEKWYLKKFK-GRYCIOLGSA-N 2 0 211.353 0.574 20 0 BCADRP CCNCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546374 384731676 /nfs/dbraw/zinc/73/16/76/384731676.db2.gz HTBKSEKWYLKKFK-SDDRHHMPSA-N 2 0 211.353 0.574 20 0 BCADRP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@H]3CCCNC3)CC[C@H]12 ZINC000647546843 384732646 /nfs/dbraw/zinc/73/26/46/384732646.db2.gz DHLZCDWZJQAELI-LPWJVIDDSA-N 2 0 223.364 0.716 20 0 BCADRP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@H]3CCCNC3)CC[C@@H]12 ZINC000647546842 384732898 /nfs/dbraw/zinc/73/28/98/384732898.db2.gz DHLZCDWZJQAELI-LOWDOPEQSA-N 2 0 223.364 0.716 20 0 BCADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000647546710 384733365 /nfs/dbraw/zinc/73/33/65/384733365.db2.gz XHASCUMQPLOKDT-AAVRWANBSA-N 3 0 237.391 0.964 20 0 BCADRP C[C@@H]1C[C@H](N[C@H]2C[NH2+]C[C@@H](C)C2)CC[NH2+]1 ZINC000647547205 384736489 /nfs/dbraw/zinc/73/64/89/384736489.db2.gz RBYMPNPUYFBKMD-IRCOFANPSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647547113 384737064 /nfs/dbraw/zinc/73/70/64/384737064.db2.gz OHHIPMLNGUZNJW-HTOAHKCRSA-N 3 0 237.391 0.962 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000647547131 384737283 /nfs/dbraw/zinc/73/72/83/384737283.db2.gz OJKANJPSDUKVAN-YFKTTZPYSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000647547413 384737322 /nfs/dbraw/zinc/73/73/22/384737322.db2.gz VOPCNIACCURKTO-AVGNSLFASA-N 2 0 225.380 0.964 20 0 BCADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647547168 384737404 /nfs/dbraw/zinc/73/74/04/384737404.db2.gz PNNCVWSJFODZFI-WISYIIOYSA-N 3 0 211.353 0.701 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000647547184 384737706 /nfs/dbraw/zinc/73/77/06/384737706.db2.gz QEHKQZYMGZCYFP-QJPTWQEYSA-N 2 0 211.353 0.716 20 0 BCADRP C(N[C@H]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000647546987 384737908 /nfs/dbraw/zinc/73/79/08/384737908.db2.gz JLOBRQRQYKPOTH-RYUDHWBXSA-N 2 0 211.353 0.718 20 0 BCADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647547510 384739263 /nfs/dbraw/zinc/73/92/63/384739263.db2.gz YCVCZHRHQZBOEM-NOOOWODRSA-N 3 0 211.353 0.559 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H](C)[NH3+] ZINC000648185945 384741069 /nfs/dbraw/zinc/74/10/69/384741069.db2.gz JSABCERGMVVXBL-VWYCJHECSA-N 2 0 239.363 0.761 20 0 BCADRP [NH3+]CC[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(F)F ZINC000647547440 384741192 /nfs/dbraw/zinc/74/11/92/384741192.db2.gz WUJKWDMASNELDX-MMWGEVLESA-N 2 0 247.333 0.947 20 0 BCADRP OCC1([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647548900 384741292 /nfs/dbraw/zinc/74/12/92/384741292.db2.gz ZYOFHIWVPXANIS-GMTAPVOTSA-N 2 0 210.321 0.489 20 0 BCADRP C[C@@H]1NCCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000334850880 384747824 /nfs/dbraw/zinc/74/78/24/384747824.db2.gz XQBUICQYOXCWRF-XKGSQUFQSA-N 2 0 211.353 0.986 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000647547910 384749562 /nfs/dbraw/zinc/74/95/62/384749562.db2.gz LDIWNUPNJMKGSZ-SRVKXCTJSA-N 2 0 211.353 0.716 20 0 BCADRP F[C@@H]1CN[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647548189 384749921 /nfs/dbraw/zinc/74/99/21/384749921.db2.gz YLYCUSIWFBNNIU-NWBUJAPZSA-N 2 0 241.354 0.664 20 0 BCADRP C[C@@]1(C[NH2+][C@@H]2CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC000647548061 384750284 /nfs/dbraw/zinc/75/02/84/384750284.db2.gz UAONZJUIJTTWGU-VXGBXAGGSA-N 3 0 223.364 0.718 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000647547832 384750406 /nfs/dbraw/zinc/75/04/06/384750406.db2.gz HBXXTVMZOUHAJD-QJPTWQEYSA-N 2 0 223.364 0.716 20 0 BCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(C)C[NH2+]C1 ZINC000335037452 384779794 /nfs/dbraw/zinc/77/97/94/384779794.db2.gz IBDJMHLHEWONKD-GHMZBOCLSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@@H]1CN([C@H]2C[NH2+]C[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000647547775 384751334 /nfs/dbraw/zinc/75/13/34/384751334.db2.gz DGHXUQNILSYKQO-FDYHWXHSSA-N 2 0 225.380 0.901 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCC[NH2+]C1CC1 ZINC000644198634 384753196 /nfs/dbraw/zinc/75/31/96/384753196.db2.gz AZJBXEJXYBSPPO-GHMZBOCLSA-N 2 0 240.351 0.308 20 0 BCADRP C[C@@]([NH3+])(C(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000052881572 384754116 /nfs/dbraw/zinc/75/41/16/384754116.db2.gz LXXONHWKJMPFRD-ZDUSSCGKSA-N 2 0 233.315 0.292 20 0 BCADRP COC(=O)C1(C[NH2+]CC2CC[NH2+]CC2)CC1 ZINC000518185917 384779860 /nfs/dbraw/zinc/77/98/60/384779860.db2.gz VQKWFXWZPRHYIO-UHFFFAOYSA-N 2 0 226.320 0.529 20 0 BCADRP [NH3+]C/C=C\CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000644198964 384755511 /nfs/dbraw/zinc/75/55/11/384755511.db2.gz HZGZURWUPNCWGS-HWKXXFMVSA-N 2 0 226.324 0.070 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000051694740 384770000 /nfs/dbraw/zinc/77/00/00/384770000.db2.gz PUEQJPDBAHVGLV-RTBKNWGFSA-N 2 0 213.325 0.356 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449650276 384816605 /nfs/dbraw/zinc/81/66/05/384816605.db2.gz TYMPHHLKUBWCEI-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000335475350 384816907 /nfs/dbraw/zinc/81/69/07/384816907.db2.gz AGSWKFKPNUXHAS-PWSUYJOCSA-N 2 0 225.336 0.311 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000054133106 384821050 /nfs/dbraw/zinc/82/10/50/384821050.db2.gz ZCKUFTKYWKYARO-CYBMUJFWSA-N 2 0 249.358 0.624 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000648201807 384824586 /nfs/dbraw/zinc/82/45/86/384824586.db2.gz VMFWAJNKJVTMDI-SECBINFHSA-N 2 0 221.304 0.499 20 0 BCADRP O=C(C[C@@H]1CC[NH2+]C1)NCCC[NH2+]C1CC1 ZINC000648203181 384830560 /nfs/dbraw/zinc/83/05/60/384830560.db2.gz SIPKCQYKKDGVHW-JTQLQIEISA-N 2 0 225.336 0.244 20 0 BCADRP COC(=O)CCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126978002 384835255 /nfs/dbraw/zinc/83/52/55/384835255.db2.gz MOERWAKBVNUDOM-VHSXEESVSA-N 2 0 214.309 0.609 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000518188261 384782396 /nfs/dbraw/zinc/78/23/96/384782396.db2.gz LQOQSUQYCHQVDQ-XLPZGREQSA-N 2 0 235.278 0.178 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]([NH3+])CC(F)F)[C@H]1C ZINC000518188259 384783527 /nfs/dbraw/zinc/78/35/27/384783527.db2.gz LQOQSUQYCHQVDQ-FXQIFTODSA-N 2 0 235.278 0.178 20 0 BCADRP [NH3+]CCOCCN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000357083271 384787429 /nfs/dbraw/zinc/78/74/29/384787429.db2.gz OSKDKEPQFXPIEB-CYBMUJFWSA-N 2 0 241.379 0.522 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc(C[NH3+])o1 ZINC000648188153 384800245 /nfs/dbraw/zinc/80/02/45/384800245.db2.gz UTHPAYXISQAZCT-SFYZADRCSA-N 2 0 225.292 0.594 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C[NH2+]CC1CC1 ZINC000648188128 384801047 /nfs/dbraw/zinc/80/10/47/384801047.db2.gz TWBMOAOEQBVWKZ-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@H]1CC[NH2+]C1 ZINC000648190267 384802288 /nfs/dbraw/zinc/80/22/88/384802288.db2.gz LLPLFGJQJHDHEF-IVZWLZJFSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000648190279 384803031 /nfs/dbraw/zinc/80/30/31/384803031.db2.gz NFIYJZGCNCOKDS-XHNCKOQMSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000648190237 384803325 /nfs/dbraw/zinc/80/33/25/384803325.db2.gz JQGWMVYUSOJLAT-PRULPYPASA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000648190193 384803431 /nfs/dbraw/zinc/80/34/31/384803431.db2.gz GJRLBAGUQXINQP-HRDYMLBCSA-N 2 0 201.314 0.212 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648178167 384803560 /nfs/dbraw/zinc/80/35/60/384803560.db2.gz XEUDYDZSOSWWPT-VIFPVBQESA-N 2 0 249.305 0.299 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449650279 384814247 /nfs/dbraw/zinc/81/42/47/384814247.db2.gz TYMPHHLKUBWCEI-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]CCCC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648206184 384841410 /nfs/dbraw/zinc/84/14/10/384841410.db2.gz VHQDUBKNWXYKCJ-SNVBAGLBSA-N 2 0 225.336 0.516 20 0 BCADRP C[N@H+](C[C@@H](O)CN1CCC[C@@H](CO)C1)C1CC1 ZINC000310135325 384849333 /nfs/dbraw/zinc/84/93/33/384849333.db2.gz ZDXBHLBLMRYKGX-DGCLKSJQSA-N 2 0 242.363 0.146 20 0 BCADRP [NH3+]CCCCC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648210600 384859056 /nfs/dbraw/zinc/85/90/56/384859056.db2.gz VWEHMOYFHHZMIH-NSHDSACASA-N 2 0 239.363 0.906 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000568628864 384949029 /nfs/dbraw/zinc/94/90/29/384949029.db2.gz HJLUGTLUHWSANP-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000156769517 384953251 /nfs/dbraw/zinc/95/32/51/384953251.db2.gz YWTZSIMJPDRISI-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH+](C)C ZINC000557466886 384958175 /nfs/dbraw/zinc/95/81/75/384958175.db2.gz BIWIICGPPHSUMI-MNOVXSKESA-N 2 0 227.352 0.252 20 0 BCADRP CCN(CCO)CC[NH2+][C@H]1CO[C@H](C)C1 ZINC000647202648 384904863 /nfs/dbraw/zinc/90/48/63/384904863.db2.gz JLGJXBQSOWYYJN-GHMZBOCLSA-N 2 0 216.325 0.068 20 0 BCADRP c1cc2c(cc1CN1CC[NH2+]CC1)C[NH2+]CC2 ZINC000258102194 384927900 /nfs/dbraw/zinc/92/79/00/384927900.db2.gz KTYWKUHXJQTVCT-UHFFFAOYSA-N 2 0 231.343 0.738 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000261586475 384931049 /nfs/dbraw/zinc/93/10/49/384931049.db2.gz RCGDVSRWXRKGOB-WPRPVWTQSA-N 2 0 241.360 0.814 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000261586469 384933012 /nfs/dbraw/zinc/93/30/12/384933012.db2.gz RCGDVSRWXRKGOB-PSASIEDQSA-N 2 0 241.360 0.814 20 0 BCADRP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)C1C[NH2+]C1 ZINC000226078081 384937072 /nfs/dbraw/zinc/93/70/72/384937072.db2.gz DHXDSSZUGFKCSQ-KOLCDFICSA-N 2 0 225.336 0.052 20 0 BCADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(C)(C)C)CC1 ZINC000644527503 384940867 /nfs/dbraw/zinc/94/08/67/384940867.db2.gz JUTDRZPTEDWBET-LBPRGKRZSA-N 2 0 243.395 0.230 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000258884559 384945440 /nfs/dbraw/zinc/94/54/40/384945440.db2.gz USJPFFFPWOYMMN-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP CC[C@@H](O)C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000644562678 384968914 /nfs/dbraw/zinc/96/89/14/384968914.db2.gz GJXZVRBKMQLRSP-QWHCGFSZSA-N 2 0 243.395 0.230 20 0 BCADRP CC[C@@H](O)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000644584178 384981538 /nfs/dbraw/zinc/98/15/38/384981538.db2.gz MKXGRPSKTJUVFB-CYBMUJFWSA-N 2 0 243.395 0.373 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000648148460 384993391 /nfs/dbraw/zinc/99/33/91/384993391.db2.gz IDQRAZSVWWWGIE-QMMMGPOBSA-N 2 0 213.325 0.371 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccns2)CC1 ZINC000404450046 384999694 /nfs/dbraw/zinc/99/96/94/384999694.db2.gz QNLNKJJSVPUJLW-UHFFFAOYSA-N 2 0 241.360 0.689 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000310354568 385002475 /nfs/dbraw/zinc/00/24/75/385002475.db2.gz QIZHPEDQUPDZNR-UMSGYPCISA-N 2 0 244.379 0.702 20 0 BCADRP c1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)sn1 ZINC000404441778 385005841 /nfs/dbraw/zinc/00/58/41/385005841.db2.gz HSAYENUOWWBWAW-DTORHVGOSA-N 2 0 209.318 0.794 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000226398437 385006224 /nfs/dbraw/zinc/00/62/24/385006224.db2.gz GMFQYOXQIFXQJW-KOLCDFICSA-N 2 0 227.352 0.569 20 0 BCADRP c1cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)sn1 ZINC000404441779 385006865 /nfs/dbraw/zinc/00/68/65/385006865.db2.gz HSAYENUOWWBWAW-IUCAKERBSA-N 2 0 209.318 0.794 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000367649000 385010891 /nfs/dbraw/zinc/01/08/91/385010891.db2.gz ONUKFWIYNYYHQE-JFGNBEQYSA-N 2 0 225.336 0.311 20 0 BCADRP COC[C@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000304652272 385015563 /nfs/dbraw/zinc/01/55/63/385015563.db2.gz YMRPGZHHAISFQX-RYUDHWBXSA-N 2 0 227.352 0.001 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226741916 385047746 /nfs/dbraw/zinc/04/77/46/385047746.db2.gz ZQZRPYIDITVDRC-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NCCCS(C)(=O)=O ZINC000404730399 385051222 /nfs/dbraw/zinc/05/12/22/385051222.db2.gz BPGNOCMDOWSMGD-RKDXNWHRSA-N 2 0 234.365 0.137 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037485369 385055514 /nfs/dbraw/zinc/05/55/14/385055514.db2.gz NYGZQEJURMCWQC-KOLCDFICSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)[NH+](C)C ZINC000646917151 385058395 /nfs/dbraw/zinc/05/83/95/385058395.db2.gz YLYFLQNXPHPMIS-HBNTYKKESA-N 2 0 225.336 0.099 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC[N@H+](C)CCOC ZINC000449118895 385061656 /nfs/dbraw/zinc/06/16/56/385061656.db2.gz ZWWDUXAILSSDPU-LLVKDONJSA-N 2 0 245.367 0.069 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H](C)C[NH2+]C ZINC000449118085 385062439 /nfs/dbraw/zinc/06/24/39/385062439.db2.gz WSTHSOVCSVACNR-ZJUUUORDSA-N 2 0 215.341 0.346 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1C[NH2+]CCC1(F)F ZINC000647640673 385069171 /nfs/dbraw/zinc/06/91/71/385069171.db2.gz YBYITBLRIMAYRR-IUCAKERBSA-N 2 0 247.289 0.099 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)[NH+](C)C ZINC000646937798 385070461 /nfs/dbraw/zinc/07/04/61/385070461.db2.gz SSPBDLUECQIRPY-UTUOFQBUSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@]1(C(=O)N[C@@H]2CCC[NH2+]CC2)CCCC[NH2+]1 ZINC000364162863 385080861 /nfs/dbraw/zinc/08/08/61/385080861.db2.gz VGUYDSHWTSAETN-YPMHNXCESA-N 2 0 239.363 0.777 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000646945648 385081956 /nfs/dbraw/zinc/08/19/56/385081956.db2.gz FHAFDKVENAZEIO-NXEZZACHSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000646945651 385082158 /nfs/dbraw/zinc/08/21/58/385082158.db2.gz FHAFDKVENAZEIO-ZJUUUORDSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccnc(C[NH3+])c1 ZINC000564931834 385083277 /nfs/dbraw/zinc/08/32/77/385083277.db2.gz VCNLISKJAHLVHE-VHSXEESVSA-N 2 0 248.330 0.363 20 0 BCADRP C[N@H+](CCn1cccn1)CC1CC[NH2+]CC1 ZINC000086702714 385041412 /nfs/dbraw/zinc/04/14/12/385041412.db2.gz DZDHECLZDMTWEJ-UHFFFAOYSA-N 2 0 222.336 0.815 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000310411380 385044270 /nfs/dbraw/zinc/04/42/70/385044270.db2.gz WUWOIVASYZMEOW-IUCAKERBSA-N 2 0 249.305 0.522 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)CC[C@H]1[NH3+] ZINC000647005504 385141390 /nfs/dbraw/zinc/14/13/90/385141390.db2.gz AXSDTHJKXVMPIU-YUSALJHKSA-N 2 0 239.363 0.700 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)N[C@@H]1CCC[NH2+]CC1 ZINC000646988180 385116864 /nfs/dbraw/zinc/11/68/64/385116864.db2.gz IFHMBCRGSHTMLQ-NWDGAFQWSA-N 2 0 239.363 0.634 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[NH2+]CC2)o1 ZINC000646988288 385117518 /nfs/dbraw/zinc/11/75/18/385117518.db2.gz LTXHBGBLLOZUCJ-SECBINFHSA-N 2 0 237.303 0.610 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000646988678 385119642 /nfs/dbraw/zinc/11/96/42/385119642.db2.gz XTRGNXVJPGGKPQ-NQBHXWOUSA-N 2 0 237.347 0.244 20 0 BCADRP C[C@@]1(C(=O)N[C@@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000646988584 385120260 /nfs/dbraw/zinc/12/02/60/385120260.db2.gz UTLULPNLJQYPHE-ZYHUDNBSSA-N 2 0 225.336 0.244 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000566246841 385141936 /nfs/dbraw/zinc/14/19/36/385141936.db2.gz GSCKEXYBAOFWQD-NAKRPEOUSA-N 2 0 227.352 0.556 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC000646993153 385120919 /nfs/dbraw/zinc/12/09/19/385120919.db2.gz JPNBZOYPWGBOKU-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]CC1(C(=O)N[C@@H]2CCC[NH2+]CC2)CCCC1 ZINC000646988505 385121138 /nfs/dbraw/zinc/12/11/38/385121138.db2.gz RQOZGTUCCFQALH-LLVKDONJSA-N 2 0 239.363 0.764 20 0 BCADRP CC1([NH3+])CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000646993148 385121146 /nfs/dbraw/zinc/12/11/46/385121146.db2.gz JLRUTAREILUBTI-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000646988583 385121586 /nfs/dbraw/zinc/12/15/86/385121586.db2.gz UTLULPNLJQYPHE-PWSUYJOCSA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+]C[C@@H](C(=O)N1CCC[NH2+]CC1)c1ccccc1 ZINC000061611355 385125145 /nfs/dbraw/zinc/12/51/45/385125145.db2.gz QCYAKTFJGJMACG-CYBMUJFWSA-N 2 0 247.342 0.551 20 0 BCADRP OCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000177843761 385126169 /nfs/dbraw/zinc/12/61/69/385126169.db2.gz OOYVBNIOMJIZNO-UHFFFAOYSA-N 2 0 242.363 0.556 20 0 BCADRP C[C@@]1(C(=O)N2CCC(C)([NH3+])CC2)CC[NH2+]C1 ZINC000646991998 385128506 /nfs/dbraw/zinc/12/85/06/385128506.db2.gz WEGXIRCQQMTOPE-LLVKDONJSA-N 2 0 225.336 0.326 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC000646991938 385128784 /nfs/dbraw/zinc/12/87/84/385128784.db2.gz SOLFQRNWQVJCKF-LLVKDONJSA-N 2 0 239.363 0.811 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC000646998205 385131980 /nfs/dbraw/zinc/13/19/80/385131980.db2.gz WJYVFSMUPPPGPN-BLFANLJRSA-N 2 0 237.347 0.372 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000646998187 385132723 /nfs/dbraw/zinc/13/27/23/385132723.db2.gz UIMYXVDWPUCYOF-LPEHRKFASA-N 2 0 225.336 0.371 20 0 BCADRP CC[C@@H]1CN(C(=O)CC[C@H](C)[NH3+])CC[C@@H]1[NH3+] ZINC000647014954 385140064 /nfs/dbraw/zinc/14/00/64/385140064.db2.gz DHDKMPVDWTURGS-AXFHLTTASA-N 2 0 227.352 0.700 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]2CC[NH2+][C@H]2C)CC[C@@H]1[NH3+] ZINC000647015240 385140252 /nfs/dbraw/zinc/14/02/52/385140252.db2.gz KYFOKAYIYYQMOU-QCNOEVLYSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H]([NH3+])C(C)C)CC[C@H]1[NH3+] ZINC000647015763 385140291 /nfs/dbraw/zinc/14/02/91/385140291.db2.gz ZGLUGEZKZAMJRS-GMTAPVOTSA-N 2 0 227.352 0.556 20 0 BCADRP COC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000644669263 385085972 /nfs/dbraw/zinc/08/59/72/385085972.db2.gz QBZHZFXVOSRSFW-NWDGAFQWSA-N 2 0 230.352 0.315 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)CC[C@H]1[NH3+] ZINC000647015035 385140638 /nfs/dbraw/zinc/14/06/38/385140638.db2.gz FWPNTEZBARMFRR-GMTAPVOTSA-N 2 0 239.363 0.570 20 0 BCADRP COC[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)OC ZINC000404842991 385102894 /nfs/dbraw/zinc/10/28/94/385102894.db2.gz CHRCPQRULVJOPB-LPEHRKFASA-N 2 0 216.325 0.363 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000564956273 385183922 /nfs/dbraw/zinc/18/39/22/385183922.db2.gz IMWNOMSURWBQFF-VLEAKVRGSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647051081 385186138 /nfs/dbraw/zinc/18/61/38/385186138.db2.gz VPTQDDCKNRTXBK-FSZOTQKASA-N 2 0 239.363 0.474 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000647051334 385186907 /nfs/dbraw/zinc/18/69/07/385186907.db2.gz QFPRCKALUFIWJN-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)C[C@H]1CC[NH2+]C1 ZINC000647051324 385188069 /nfs/dbraw/zinc/18/80/69/385188069.db2.gz OEEFPFOAXSGSOE-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CCC(F)(F)C1 ZINC000308820447 385192285 /nfs/dbraw/zinc/19/22/85/385192285.db2.gz BUCSCEMCEOFQOY-RKDXNWHRSA-N 2 0 222.279 0.673 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)o1 ZINC000647055150 385195490 /nfs/dbraw/zinc/19/54/90/385195490.db2.gz NETLKAJKQOTJER-LLVKDONJSA-N 2 0 249.314 0.610 20 0 BCADRP [NH3+]C[C@@H]1CCCN1C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449131697 385198588 /nfs/dbraw/zinc/19/85/88/385198588.db2.gz OXDHHHBVXOGLFW-SRVKXCTJSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000647018333 385143263 /nfs/dbraw/zinc/14/32/63/385143263.db2.gz BVPDMKIUEUQBJL-GRYCIOLGSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)CC2([NH3+])CCC2)CC[NH2+]1 ZINC000647018139 385143820 /nfs/dbraw/zinc/14/38/20/385143820.db2.gz ILDQPXYOJTYFLJ-UWVGGRQHSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000647020796 385149407 /nfs/dbraw/zinc/14/94/07/385149407.db2.gz MVPATAPCZLIGKR-KOLCDFICSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H]([NH3+])CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000647021041 385151766 /nfs/dbraw/zinc/15/17/66/385151766.db2.gz WZTNTIKPOWSFKH-QMMMGPOBSA-N 2 0 218.260 0.411 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000647023221 385155837 /nfs/dbraw/zinc/15/58/37/385155837.db2.gz SVFYOBSCTHZREP-GXSJLCMTSA-N 2 0 221.304 0.192 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000647022841 385155978 /nfs/dbraw/zinc/15/59/78/385155978.db2.gz HXVAJJKTSYGZFU-KWQFWETISA-N 2 0 239.294 0.331 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000449482619 385156503 /nfs/dbraw/zinc/15/65/03/385156503.db2.gz ZAONBEQBARQUCE-VHSXEESVSA-N 2 0 225.336 0.385 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000647026409 385159640 /nfs/dbraw/zinc/15/96/40/385159640.db2.gz OLFZQVABGADEIW-NSHDSACASA-N 2 0 239.363 0.845 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000647026430 385159916 /nfs/dbraw/zinc/15/99/16/385159916.db2.gz SYBPYDUWHRWLQN-QJPTWQEYSA-N 2 0 239.363 0.572 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000647035682 385168981 /nfs/dbraw/zinc/16/89/81/385168981.db2.gz ZXASYNXMKYIEPD-QWRGUYRKSA-N 2 0 245.342 0.487 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000165642239 385169852 /nfs/dbraw/zinc/16/98/52/385169852.db2.gz YHWOKKLATQBRQR-AAEUAGOBSA-N 2 0 249.358 0.623 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)[NH3+] ZINC000157401266 385172394 /nfs/dbraw/zinc/17/23/94/385172394.db2.gz GSPXXSMGUOXOFC-GMTAPVOTSA-N 2 0 225.336 0.419 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CC[C@H](C)[NH3+] ZINC000647036164 385172823 /nfs/dbraw/zinc/17/28/23/385172823.db2.gz VXAQTYTZDZXHCK-GUBZILKMSA-N 2 0 231.315 0.272 20 0 BCADRP c1c([C@H]2CCC[NH2+]C2)nnn1CC[NH+]1CCCC1 ZINC000404916180 385173564 /nfs/dbraw/zinc/17/35/64/385173564.db2.gz GUESSQNBWHXYHM-LBPRGKRZSA-N 2 0 249.362 0.841 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN([C@@H]2CCNC2=O)C1 ZINC000178207969 385207403 /nfs/dbraw/zinc/20/74/03/385207403.db2.gz WEZSSIYXXZJOEJ-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCSC2)CC1 ZINC000308847029 385208449 /nfs/dbraw/zinc/20/84/49/385208449.db2.gz ALRCBLJMNGGXRJ-JTQLQIEISA-N 2 0 230.377 0.538 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000647069500 385214477 /nfs/dbraw/zinc/21/44/77/385214477.db2.gz SGDNOJGHPGZEOY-ZJUUUORDSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000647068672 385215066 /nfs/dbraw/zinc/21/50/66/385215066.db2.gz GZCSMBSHFAABME-BSJXLVFVSA-N 2 0 239.363 0.474 20 0 BCADRP C[C@@H](NC(=O)CC1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000647068815 385215554 /nfs/dbraw/zinc/21/55/54/385215554.db2.gz WNOSRVMTZJLQCP-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000647072050 385218796 /nfs/dbraw/zinc/21/87/96/385218796.db2.gz YTQYEQHRIXOYBW-RNFRBKRXSA-N 2 0 235.278 0.083 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)c1ccc(C[NH3+])o1)C(F)F ZINC000647072021 385218993 /nfs/dbraw/zinc/21/89/93/385218993.db2.gz PTHPVVCJXMDXQC-SSDOTTSWSA-N 2 0 247.245 0.451 20 0 BCADRP CCOCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000164662200 385222756 /nfs/dbraw/zinc/22/27/56/385222756.db2.gz FTNAENCCEWSWIA-GHMZBOCLSA-N 2 0 200.326 0.940 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000364182920 385222876 /nfs/dbraw/zinc/22/28/76/385222876.db2.gz NZYVDWRMIKWNPX-GHMZBOCLSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@@H]1CC[N@H+](CCn2cccn2)C[C@@H]1C[NH3+] ZINC000164647882 385224898 /nfs/dbraw/zinc/22/48/98/385224898.db2.gz PAECRHUXAXVWOQ-NEPJUHHUSA-N 2 0 222.336 0.800 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000336390498 385225130 /nfs/dbraw/zinc/22/51/30/385225130.db2.gz JOMWHEBWVCBKCA-GFCCVEGCSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H](CNC(=O)[C@H]([NH3+])CC(F)F)[NH+](C)C ZINC000308872357 385228054 /nfs/dbraw/zinc/22/80/54/385228054.db2.gz ZMOVRQJEMOZNLF-RNFRBKRXSA-N 2 0 223.267 0.035 20 0 BCADRP [NH3+]CC1(CC(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000647075764 385229630 /nfs/dbraw/zinc/22/96/30/385229630.db2.gz HDMKSVQMLJCXJU-QMMMGPOBSA-N 2 0 247.289 0.229 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000110374237 385232689 /nfs/dbraw/zinc/23/26/89/385232689.db2.gz IVKLSXFBVQASSL-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000647076287 385235711 /nfs/dbraw/zinc/23/57/11/385235711.db2.gz HQMDMCNIDYUHFX-QMMMGPOBSA-N 2 0 235.278 0.099 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000647081163 385240330 /nfs/dbraw/zinc/24/03/30/385240330.db2.gz MLZGNXQIOCLVRA-MNOVXSKESA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000647082752 385242810 /nfs/dbraw/zinc/24/28/10/385242810.db2.gz GJCVYTWPCWDFNT-NXEZZACHSA-N 2 0 225.336 0.502 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000647082767 385243587 /nfs/dbraw/zinc/24/35/87/385243587.db2.gz GTSNBGQCRBOTGE-RKDXNWHRSA-N 2 0 213.325 0.357 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000647082838 385243864 /nfs/dbraw/zinc/24/38/64/385243864.db2.gz NMYIYQBXFPMBFJ-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]C1 ZINC000364199904 385244670 /nfs/dbraw/zinc/24/46/70/385244670.db2.gz FBBDVVJQTLANIP-LOWVWBTDSA-N 2 0 239.363 0.490 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000647084086 385245434 /nfs/dbraw/zinc/24/54/34/385245434.db2.gz FLIXCWQLVYEUAO-SECBINFHSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC[NH2+]C1 ZINC000364199905 385245750 /nfs/dbraw/zinc/24/57/50/385245750.db2.gz FBBDVVJQTLANIP-MDZLAQPJSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000227811197 385248193 /nfs/dbraw/zinc/24/81/93/385248193.db2.gz XBJDOLQEDCXNHU-IJLUTSLNSA-N 2 0 237.347 0.420 20 0 BCADRP [NH3+]CCC[C@@H](NC(=O)CC[NH3+])c1ccccc1 ZINC000647085199 385248704 /nfs/dbraw/zinc/24/87/04/385248704.db2.gz UYIMMLJCBXLEET-GFCCVEGCSA-N 2 0 235.331 0.932 20 0 BCADRP C[C@@H]1CCN(C(=O)C[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000647086894 385251998 /nfs/dbraw/zinc/25/19/98/385251998.db2.gz SHNBZNYKLYMITM-IJLUTSLNSA-N 2 0 239.363 0.429 20 0 BCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C1([NH3+])CC1 ZINC000237031494 385252997 /nfs/dbraw/zinc/25/29/97/385252997.db2.gz SYUQBVVIFZDXEF-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP CCC[C@H](C)C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000308957625 385324074 /nfs/dbraw/zinc/32/40/74/385324074.db2.gz XXSACYMKEGZAGW-DCAQKATOSA-N 2 0 200.326 0.593 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000157931910 385314851 /nfs/dbraw/zinc/31/48/51/385314851.db2.gz AONHIQURNNQCSN-KPPDAEKUSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@]2(O)CCO[C@@H]2C)CC1 ZINC000228052519 385318076 /nfs/dbraw/zinc/31/80/76/385318076.db2.gz ZAOKGURGLBBIAZ-DGCLKSJQSA-N 2 0 242.363 0.600 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000131206122 385318311 /nfs/dbraw/zinc/31/83/11/385318311.db2.gz ZKKALDHEBSCLAA-MWLCHTKSSA-N 2 0 229.299 0.028 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000647095506 385267103 /nfs/dbraw/zinc/26/71/03/385267103.db2.gz KJSOWJVFOCHWEZ-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CC1([NH3+])CCC1 ZINC000647094820 385267719 /nfs/dbraw/zinc/26/77/19/385267719.db2.gz HYJHSFFPCSCNIY-UWVGGRQHSA-N 2 0 225.336 0.515 20 0 BCADRP [NH3+]C1(c2noc(C[C@@H]3CC[NH2+]C3)n2)CCC1 ZINC000647140970 385278152 /nfs/dbraw/zinc/27/81/52/385278152.db2.gz OHXUZDALBOEWCO-QMMMGPOBSA-N 2 0 222.292 0.560 20 0 BCADRP [NH3+]C1(c2noc([C@@H]3C[C@H]4C[C@H]4[NH2+]3)n2)CCC1 ZINC000647140971 385278798 /nfs/dbraw/zinc/27/87/98/385278798.db2.gz QEGRBDHMGDIINL-PRJMDXOYSA-N 2 0 220.276 0.830 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000344575778 385287071 /nfs/dbraw/zinc/28/70/71/385287071.db2.gz CAOOMKVBZHLABT-GFCCVEGCSA-N 2 0 242.363 0.459 20 0 BCADRP Cc1cc(C[NH3+])cc(NC(=O)COCC[NH3+])c1 ZINC000647096232 385287578 /nfs/dbraw/zinc/28/75/78/385287578.db2.gz GRNABBCXDZJTJD-UHFFFAOYSA-N 2 0 237.303 0.368 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000517036161 385331565 /nfs/dbraw/zinc/33/15/65/385331565.db2.gz XBWAZLSGOVINNL-QWHCGFSZSA-N 2 0 243.395 0.230 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000517036159 385332557 /nfs/dbraw/zinc/33/25/57/385332557.db2.gz XBWAZLSGOVINNL-CHWSQXEVSA-N 2 0 243.395 0.230 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000165016958 385339015 /nfs/dbraw/zinc/33/90/15/385339015.db2.gz GMCPABWEOTXCMX-GRYCIOLGSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000178867245 385340471 /nfs/dbraw/zinc/34/04/71/385340471.db2.gz AEDKBIUBNWOWIL-CIUDSAMLSA-N 2 0 211.309 0.075 20 0 BCADRP C[C@@H](C(=O)NCCC[NH+](C)C)[C@H](C)[NH3+] ZINC000165017289 385340543 /nfs/dbraw/zinc/34/05/43/385340543.db2.gz YIPVTWGMTMMWPU-BDAKNGLRSA-N 2 0 201.314 0.038 20 0 BCADRP Cc1nn(C)cc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228152328 385349205 /nfs/dbraw/zinc/34/92/05/385349205.db2.gz PQUZVNXHGPPKLN-ONGXEEELSA-N 2 0 222.336 0.898 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC1CC[NH+](C)CC1 ZINC000165101569 385349416 /nfs/dbraw/zinc/34/94/16/385349416.db2.gz XQYGFVYQCUFAHS-IUCAKERBSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000165154471 385355368 /nfs/dbraw/zinc/35/53/68/385355368.db2.gz RZKRDASISKKFRR-UWVGGRQHSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@@H](C(=O)N1CCC([NH+](C)C)CC1)[C@H](C)[NH3+] ZINC000165154581 385356210 /nfs/dbraw/zinc/35/62/10/385356210.db2.gz RZKRDASISKKFRR-ZJUUUORDSA-N 2 0 227.352 0.522 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]([NH3+])CC(F)F ZINC000309032027 385380429 /nfs/dbraw/zinc/38/04/29/385380429.db2.gz CIPXREUKCIRUCV-SSDOTTSWSA-N 2 0 223.267 0.037 20 0 BCADRP CC[N@H+](C)CCN[C@H]1C[NH+](CC)C[C@@H]1C ZINC000309048930 385382582 /nfs/dbraw/zinc/38/25/82/385382582.db2.gz PTJMEOKJEVVHGU-RYUDHWBXSA-N 2 0 213.369 0.868 20 0 BCADRP CC[C@H](O)C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000309041742 385388046 /nfs/dbraw/zinc/38/80/46/385388046.db2.gz LPYPRLRBRDIPQP-USWWRNFRSA-N 2 0 212.337 0.830 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000644080412 385424869 /nfs/dbraw/zinc/42/48/69/385424869.db2.gz MEXZVDQULNMGTK-ZJUUUORDSA-N 2 0 225.336 0.243 20 0 BCADRP Cc1cn[nH]c1C[NH2+]CCn1ccnc1 ZINC000309083848 385401009 /nfs/dbraw/zinc/40/10/09/385401009.db2.gz UOAKENDDXBIWOI-UHFFFAOYSA-N 2 0 205.265 0.704 20 0 BCADRP C[N@H+](CCc1cn[nH]c1)CC(C)(C)C[NH3+] ZINC000309098432 385407378 /nfs/dbraw/zinc/40/73/78/385407378.db2.gz HUHYAPOJTLRTSO-UHFFFAOYSA-N 2 0 210.325 0.869 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000644065459 385415320 /nfs/dbraw/zinc/41/53/20/385415320.db2.gz PYEMKDRCMVNTDW-BXKDBHETSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000644088868 385439690 /nfs/dbraw/zinc/43/96/90/385439690.db2.gz BQMKFIBRADEMEX-VHSXEESVSA-N 2 0 227.352 0.474 20 0 BCADRP CN(C(=O)[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000644086013 385432680 /nfs/dbraw/zinc/43/26/80/385432680.db2.gz GKSLKCJWGUJUBR-RKDXNWHRSA-N 2 0 247.289 0.052 20 0 BCADRP O=C(C[NH2+]C1CC1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000644102353 385472260 /nfs/dbraw/zinc/47/22/60/385472260.db2.gz GLBOVXQLSPGGRF-UHFFFAOYSA-N 2 0 246.314 0.418 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000518767610 385475922 /nfs/dbraw/zinc/47/59/22/385475922.db2.gz RVOHRRKZIIIBPE-NXEZZACHSA-N 2 0 245.392 0.183 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364556755 385476210 /nfs/dbraw/zinc/47/62/10/385476210.db2.gz AGTJNOCBSFGVIJ-PWSUYJOCSA-N 2 0 225.336 0.054 20 0 BCADRP Cc1cnn(CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000335919017 385477339 /nfs/dbraw/zinc/47/73/39/385477339.db2.gz ZOPORTOVUKLQIX-CYBMUJFWSA-N 2 0 234.347 0.877 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000364561433 385477484 /nfs/dbraw/zinc/47/74/84/385477484.db2.gz NWFYHTHLJNSLMM-NOHGZBONSA-N 2 0 239.363 0.985 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000644104180 385477917 /nfs/dbraw/zinc/47/79/17/385477917.db2.gz LHFLCOTZHIOGAS-GUBZILKMSA-N 2 0 225.336 0.180 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)C1CC1 ZINC000364599229 385479086 /nfs/dbraw/zinc/47/90/86/385479086.db2.gz KRRHFKJQYFCHDR-DGCLKSJQSA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+][C@@H](CCC(=O)NCC1C[NH2+]C1)c1ccccc1 ZINC000644105036 385479751 /nfs/dbraw/zinc/47/97/51/385479751.db2.gz UAVOOACYTLWPFF-ZDUSSCGKSA-N 2 0 247.342 0.802 20 0 BCADRP [NH3+][C@H](CC1CCCCC1)C(=O)NCC1C[NH2+]C1 ZINC000644104953 385480000 /nfs/dbraw/zinc/48/00/00/385480000.db2.gz LETKWSTXLGZXIT-GFCCVEGCSA-N 2 0 239.363 0.620 20 0 BCADRP O=C(C1C[NH2+]C1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364661396 385484526 /nfs/dbraw/zinc/48/45/26/385484526.db2.gz PDNWUDCUCDGCJK-UHFFFAOYSA-N 2 0 237.347 0.198 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000257676764 385485878 /nfs/dbraw/zinc/48/58/78/385485878.db2.gz HWHUUSVFCGYSSE-ZJUUUORDSA-N 2 0 211.309 0.030 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000257654490 385487039 /nfs/dbraw/zinc/48/70/39/385487039.db2.gz CCCRWSHGWAYOHK-MCIGGMRASA-N 2 0 239.363 0.857 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NC2CCC([NH3+])CC2)C1 ZINC000257689891 385493421 /nfs/dbraw/zinc/49/34/21/385493421.db2.gz LKGSBWUDJPBSSM-VOMCLLRMSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000257754446 385496627 /nfs/dbraw/zinc/49/66/27/385496627.db2.gz QFNCFTBKFHBCOP-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CCOC1 ZINC000336724969 385497925 /nfs/dbraw/zinc/49/79/25/385497925.db2.gz ZSKJWPFLINUVSH-STQMWFEESA-N 2 0 244.379 0.969 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000405345653 385507657 /nfs/dbraw/zinc/50/76/57/385507657.db2.gz GIMSMPSWNVWMQG-NXEZZACHSA-N 2 0 208.309 0.668 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000257707389 385490253 /nfs/dbraw/zinc/49/02/53/385490253.db2.gz PSVHNFKJOLCMMG-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000257708760 385490380 /nfs/dbraw/zinc/49/03/80/385490380.db2.gz QCQLKXRBGPWSME-UWVGGRQHSA-N 2 0 213.325 0.039 20 0 BCADRP [NH3+]CC1(CC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000644144883 385536552 /nfs/dbraw/zinc/53/65/52/385536552.db2.gz PWXBNAVECDXIRS-SNVBAGLBSA-N 2 0 237.347 0.374 20 0 BCADRP CO[C@@H](C)[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000166814591 385546721 /nfs/dbraw/zinc/54/67/21/385546721.db2.gz ZQEHKRIHNVRDCK-WOPDTQHZSA-N 2 0 230.352 0.456 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H](C)[NH3+] ZINC000644142295 385525821 /nfs/dbraw/zinc/52/58/21/385525821.db2.gz MGMLNMPBVYQWDC-RCWTZXSCSA-N 2 0 245.342 0.422 20 0 BCADRP CC(C)([NH3+])CCC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000647696216 385555332 /nfs/dbraw/zinc/55/53/32/385555332.db2.gz AXCWTYDJNHFSPZ-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000364991153 385557210 /nfs/dbraw/zinc/55/72/10/385557210.db2.gz YFSZXVXATLVWDQ-UTUOFQBUSA-N 2 0 239.363 0.522 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000054075662 385595229 /nfs/dbraw/zinc/59/52/29/385595229.db2.gz JCDGMDQPTJSIOV-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000211696374 385596023 /nfs/dbraw/zinc/59/60/23/385596023.db2.gz KCGIYIVTOJXTEM-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178676 385606898 /nfs/dbraw/zinc/60/68/98/385606898.db2.gz XOMWUMYBTBASFB-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000647705990 385580226 /nfs/dbraw/zinc/58/02/26/385580226.db2.gz ZZTJQHCNATYETF-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000309452828 385585752 /nfs/dbraw/zinc/58/57/52/385585752.db2.gz MXELHUSMXKWFBS-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000647711453 385614218 /nfs/dbraw/zinc/61/42/18/385614218.db2.gz USFGDSBQEXNYRO-DTWKUNHWSA-N 2 0 247.289 0.052 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000082651673 385627060 /nfs/dbraw/zinc/62/70/60/385627060.db2.gz XRGJNIPRTRWWDF-VXGBXAGGSA-N 2 0 222.336 0.942 20 0 BCADRP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647793419 385698662 /nfs/dbraw/zinc/69/86/62/385698662.db2.gz XKBDRKUBTFILPI-WUHRBBMRSA-N 2 0 226.364 0.981 20 0 BCADRP COC(=O)C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000211944883 385700600 /nfs/dbraw/zinc/70/06/00/385700600.db2.gz WMBSTLVLJIDBQR-PWSUYJOCSA-N 2 0 240.347 0.999 20 0 BCADRP C[NH+](C)CCCNC(=O)NC1CC[NH+](C)CC1 ZINC000643216742 385668708 /nfs/dbraw/zinc/66/87/08/385668708.db2.gz XRJWKBZGQPSPEY-UHFFFAOYSA-N 2 0 242.367 0.332 20 0 BCADRP COC[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647793816 385731626 /nfs/dbraw/zinc/73/16/26/385731626.db2.gz JFVDPBIYKOISHV-WISYIIOYSA-N 2 0 212.337 0.999 20 0 BCADRP CC[C@H](COC)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000336698696 385753034 /nfs/dbraw/zinc/75/30/34/385753034.db2.gz VPJHSRHUTJWNFK-GMTAPVOTSA-N 2 0 200.326 0.999 20 0 BCADRP CC[NH+](CC)CCC[NH2+][C@@H](C)CC(=O)NC ZINC000309629787 385753179 /nfs/dbraw/zinc/75/31/79/385753179.db2.gz HLPKQPULZKLQFO-NSHDSACASA-N 2 0 229.368 0.833 20 0 BCADRP COCC[C@H](C)[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000336655915 385772910 /nfs/dbraw/zinc/77/29/10/385772910.db2.gz NZTXYMXNSKAKMS-DCAQKATOSA-N 2 0 200.326 0.951 20 0 BCADRP COCC[C@H](C)[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000336655917 385773362 /nfs/dbraw/zinc/77/33/62/385773362.db2.gz NZTXYMXNSKAKMS-OUAUKWLOSA-N 2 0 200.326 0.951 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@H](C)C[NH2+]C ZINC000336737514 385799322 /nfs/dbraw/zinc/79/93/22/385799322.db2.gz JLTXTQWQYLWFKX-KOLCDFICSA-N 2 0 215.341 0.476 20 0 BCADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1C[NH2+]C1 ZINC000647799299 385800560 /nfs/dbraw/zinc/80/05/60/385800560.db2.gz CYGOZOHEAYZHMG-IJLUTSLNSA-N 2 0 209.337 0.184 20 0 BCADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)NC ZINC000647799420 385801037 /nfs/dbraw/zinc/80/10/37/385801037.db2.gz GHNSTMBZUDABHI-KKOKHZNYSA-N 2 0 239.363 0.489 20 0 BCADRP CN(C(=O)[C@]12C[C@H]1CC[NH2+]2)[C@H]1CCC[NH2+]CC1 ZINC000521425696 385811177 /nfs/dbraw/zinc/81/11/77/385811177.db2.gz OZFAKZYWNRZGRM-MDZLAQPJSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186899014 385811825 /nfs/dbraw/zinc/81/18/25/385811825.db2.gz JILBOESVBQFCOV-BBBLOLIVSA-N 2 0 213.325 0.084 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC[N@@H+]1C ZINC000647805183 385844282 /nfs/dbraw/zinc/84/42/82/385844282.db2.gz BCHNQEJPSJRCSI-WRWGMCAJSA-N 2 0 239.363 0.535 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000647805688 385844488 /nfs/dbraw/zinc/84/44/88/385844488.db2.gz LEWFFOVIBIWUEN-SECBINFHSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000262439668 385844964 /nfs/dbraw/zinc/84/49/64/385844964.db2.gz AMADGMSRLJEWGB-JBLDHEPKSA-N 2 0 235.331 0.786 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000262430627 385846225 /nfs/dbraw/zinc/84/62/25/385846225.db2.gz JIGNNIVYCGAFIV-RYUDHWBXSA-N 2 0 235.331 0.930 20 0 BCADRP C[C@@H](C(=O)NC[C@H]([NH3+])c1ccccc1)[C@H](C)[NH3+] ZINC000262439676 385846283 /nfs/dbraw/zinc/84/62/83/385846283.db2.gz AMADGMSRLJEWGB-SCVCMEIPSA-N 2 0 235.331 0.786 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000516649570 385848222 /nfs/dbraw/zinc/84/82/22/385848222.db2.gz WEQHIKKYEXGSGU-UTLUCORTSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000516649568 385848560 /nfs/dbraw/zinc/84/85/60/385848560.db2.gz WEQHIKKYEXGSGU-BBBLOLIVSA-N 2 0 228.340 0.163 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H](C)[NH3+] ZINC000638536508 385796622 /nfs/dbraw/zinc/79/66/22/385796622.db2.gz HCPBQYFHEJCCNA-BDAKNGLRSA-N 2 0 216.329 0.006 20 0 BCADRP OCC[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000647845465 385885934 /nfs/dbraw/zinc/88/59/34/385885934.db2.gz KSXZYXFHLPINES-UHFFFAOYSA-N 2 0 246.314 0.677 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000294733967 385889171 /nfs/dbraw/zinc/88/91/71/385889171.db2.gz JDLLKSHZFLITMF-QWHCGFSZSA-N 2 0 247.342 0.549 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH3+])C1 ZINC000294779869 385895178 /nfs/dbraw/zinc/89/51/78/385895178.db2.gz NRKYTYQWHWOKJK-WCQYABFASA-N 2 0 247.342 0.945 20 0 BCADRP Cc1cc(NC(=O)[C@@H](C)N(C)CCC[NH3+])on1 ZINC000647849324 385900469 /nfs/dbraw/zinc/90/04/69/385900469.db2.gz PEJBWUGFJWBTRA-SECBINFHSA-N 2 0 240.307 0.591 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)CCC(C)(C)[NH3+] ZINC000647857031 385906751 /nfs/dbraw/zinc/90/67/51/385906751.db2.gz KLVAQXODHRUKOW-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639020710 385929625 /nfs/dbraw/zinc/92/96/25/385929625.db2.gz LIJJYSCTSMHASH-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000336721552 385912134 /nfs/dbraw/zinc/91/21/34/385912134.db2.gz DSROZCGHSRTCBS-IRCOFANPSA-N 2 0 212.337 0.830 20 0 BCADRP C[C@@H]([NH3+])CCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000262983819 385913828 /nfs/dbraw/zinc/91/38/28/385913828.db2.gz YZOOMZOPVFJFCK-ZWNOBZJWSA-N 2 0 235.331 0.714 20 0 BCADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc2c(c1)nnn2C ZINC000414876888 385915989 /nfs/dbraw/zinc/91/59/89/385915989.db2.gz FEJLQWMQAWASME-VIFPVBQESA-N 2 0 233.319 0.795 20 0 BCADRP CC[C@@H](C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000338189862 385917562 /nfs/dbraw/zinc/91/75/62/385917562.db2.gz HMLSWCODBZDXEM-UWVGGRQHSA-N 2 0 215.341 0.393 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000236837911 259678215 /nfs/dbraw/zinc/67/82/15/259678215.db2.gz LCJAWMORPOJUOW-LLVKDONJSA-N 2 0 227.352 0.526 20 0 BCADRP C[C@]1(C(=O)N2CC[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000647732766 385861558 /nfs/dbraw/zinc/86/15/58/385861558.db2.gz XKXTTYZSDHZBMA-JQWIXIFHSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000647732765 385862321 /nfs/dbraw/zinc/86/23/21/385862321.db2.gz XKXTTYZSDHZBMA-CMPLNLGQSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000647816901 385869078 /nfs/dbraw/zinc/86/90/78/385869078.db2.gz ANXMEAFKNLQUKY-SCVCMEIPSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000647816898 385869093 /nfs/dbraw/zinc/86/90/93/385869093.db2.gz ANXMEAFKNLQUKY-CKYFFXLPSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000414959676 385869243 /nfs/dbraw/zinc/86/92/43/385869243.db2.gz TZALJKVKBFJRHS-TUAOUCFPSA-N 3 0 211.353 0.859 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CC[N@@H+]1C ZINC000647817014 385870755 /nfs/dbraw/zinc/87/07/55/385870755.db2.gz YKRDRHOZAALQEW-QCNOEVLYSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000647816978 385871018 /nfs/dbraw/zinc/87/10/18/385871018.db2.gz TWMLEGSDEBGMII-RHYQMDGZSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC(F)F)[C@H]1C[NH3+] ZINC000647820963 385871413 /nfs/dbraw/zinc/87/14/13/385871413.db2.gz XAZYLVBLUCBTEF-HLTSFMKQSA-N 2 0 249.305 0.555 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000647830517 385872857 /nfs/dbraw/zinc/87/28/57/385872857.db2.gz NBWYHVCQDGGOQT-SNVBAGLBSA-N 2 0 213.325 0.135 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@H](C)[NH3+] ZINC000308814471 385875652 /nfs/dbraw/zinc/87/56/52/385875652.db2.gz DQBXKJINWFNGDJ-WCBMZHEXSA-N 2 0 201.314 0.213 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]([NH3+])CC(F)F ZINC000647828192 385876407 /nfs/dbraw/zinc/87/64/07/385876407.db2.gz GDZLOGRYCUSSOS-OIBJUYFYSA-N 2 0 237.294 0.459 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647829410 385878105 /nfs/dbraw/zinc/87/81/05/385878105.db2.gz AJMPKKUYOUZQAP-HHHUOAJASA-N 2 0 237.347 0.086 20 0 BCADRP Cc1noc(CCC[N@@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000647829681 385878296 /nfs/dbraw/zinc/87/82/96/385878296.db2.gz LPXBIKXHUCMCLO-JTQLQIEISA-N 2 0 224.308 0.591 20 0 BCADRP CN(C(=O)c1ccc2c[nH+]cn2c1)C1CC([NH3+])C1 ZINC000335037983 385928224 /nfs/dbraw/zinc/92/82/24/385928224.db2.gz LVXFOIPJRJSCSO-UHFFFAOYSA-N 2 0 244.298 0.896 20 0 BCADRP [NH3+]C1(C(=O)N2CC[NH+]3CCC2CC3)CCCC1 ZINC000335037815 385928237 /nfs/dbraw/zinc/92/82/37/385928237.db2.gz MMAUEEUZHOEGJS-UHFFFAOYSA-N 2 0 237.347 0.565 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000647829610 385878635 /nfs/dbraw/zinc/87/86/35/385878635.db2.gz DFMHRMAFZKGDDZ-NWDGAFQWSA-N 2 0 228.336 0.463 20 0 BCADRP c1cncc(C[NH2+]CCCN[C@@H]2CCC[NH2+]C2)c1 ZINC000414881391 385991008 /nfs/dbraw/zinc/99/10/08/385991008.db2.gz RGCATVVHDSEPCG-CQSZACIVSA-N 2 0 248.374 0.903 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000335038788 385930963 /nfs/dbraw/zinc/93/09/63/385930963.db2.gz SOEAEQYVCZMMKA-LLVKDONJSA-N 2 0 239.363 0.666 20 0 BCADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639020462 385932274 /nfs/dbraw/zinc/93/22/74/385932274.db2.gz FSSYLBDGDCANNS-IEECTRCBSA-N 2 0 249.358 0.052 20 0 BCADRP [NH3+]CCCC(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000639020022 385932607 /nfs/dbraw/zinc/93/26/07/385932607.db2.gz KYRNQTZTQBHOMF-NSHDSACASA-N 2 0 247.342 0.890 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCC1([NH3+])CCCCCC1 ZINC000335040552 385933879 /nfs/dbraw/zinc/93/38/79/385933879.db2.gz XYFAMSRIZMZWBU-VHSXEESVSA-N 2 0 225.336 0.502 20 0 BCADRP CC[N@@H+]1CC[C@H](NC[C@H](C)C[NH3+])[C@@H](C)C1 ZINC000414878216 385934106 /nfs/dbraw/zinc/93/41/06/385934106.db2.gz ODKMGGWAQPZCMN-WOPDTQHZSA-N 2 0 213.369 0.901 20 0 BCADRP C[C@H]1CCNC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000335043295 385936943 /nfs/dbraw/zinc/93/69/43/385936943.db2.gz VLMLGCUHIFUXTE-AAEUAGOBSA-N 2 0 225.380 0.916 20 0 BCADRP COCC(C)(C)C[NH2+]CCN1CC[NH2+]CC1 ZINC000414879221 385945659 /nfs/dbraw/zinc/94/56/59/385945659.db2.gz IHCLJSDEARBKKA-UHFFFAOYSA-N 2 0 229.368 0.154 20 0 BCADRP CO[C@H](C)C[NH+]1CCN(c2nccn2C)CC1 ZINC000272933548 385952875 /nfs/dbraw/zinc/95/28/75/385952875.db2.gz KGLFKWDLPVHDKJ-LLVKDONJSA-N 2 0 238.335 0.577 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCCCC[NH3+] ZINC000417449155 385957679 /nfs/dbraw/zinc/95/76/79/385957679.db2.gz XNLGTBXUJVZZBE-LLVKDONJSA-N 2 0 244.383 0.755 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000638568195 385958015 /nfs/dbraw/zinc/95/80/15/385958015.db2.gz WNWCGGKUMIBEPX-OUAUKWLOSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@H](C[NH3+])C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000285724327 385958501 /nfs/dbraw/zinc/95/85/01/385958501.db2.gz FVOQCZODMPADRX-SECBINFHSA-N 2 0 245.286 0.801 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C[C@H](C)[NH3+] ZINC000309093322 385958607 /nfs/dbraw/zinc/95/86/07/385958607.db2.gz BXLAGYLEAWLTHU-QMMMGPOBSA-N 2 0 201.314 0.357 20 0 BCADRP [NH3+]C[C@H](NC(=O)C[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000263226070 385959706 /nfs/dbraw/zinc/95/97/06/385959706.db2.gz CFWRVUHBXLWIDB-STQMWFEESA-N 2 0 247.342 0.930 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335059954 385961781 /nfs/dbraw/zinc/96/17/81/385961781.db2.gz GASDDPRONFLTRX-JQWIXIFHSA-N 2 0 247.342 0.759 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000647865399 385994436 /nfs/dbraw/zinc/99/44/36/385994436.db2.gz IETFVQRKWSDKRB-TUAOUCFPSA-N 2 0 227.352 0.034 20 0 BCADRP c1n[nH]cc1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000309272821 385999449 /nfs/dbraw/zinc/99/94/49/385999449.db2.gz LLFPCMKGWZPZTO-RYUDHWBXSA-N 2 0 220.320 0.636 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000295267817 386002876 /nfs/dbraw/zinc/00/28/76/386002876.db2.gz RVJZAKVSSCEXPX-NEPJUHHUSA-N 2 0 235.331 0.582 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000295293923 386008380 /nfs/dbraw/zinc/00/83/80/386008380.db2.gz UMUAUIUKQTXZOM-NWDGAFQWSA-N 2 0 235.331 0.848 20 0 BCADRP CC[N@H+](CCNC(=O)N[C@H](C)C[NH3+])C(C)C ZINC000417460326 386011934 /nfs/dbraw/zinc/01/19/34/386011934.db2.gz KBDBLKVKFIWXGT-SNVBAGLBSA-N 2 0 230.356 0.363 20 0 BCADRP C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@H]1C[NH2+]CCN1C ZINC000414976084 386014980 /nfs/dbraw/zinc/01/49/80/386014980.db2.gz NJNYYCCDTHKHHK-FRRDWIJNSA-N 3 0 240.395 0.010 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925276 386018481 /nfs/dbraw/zinc/01/84/81/386018481.db2.gz MCCOTNQMTAFXIG-USZNOCQGSA-N 2 0 237.347 0.337 20 0 BCADRP CCCC[C@H](COC)[NH2+]CCN1CC[NH2+]CC1 ZINC000414883046 386025537 /nfs/dbraw/zinc/02/55/37/386025537.db2.gz NHOQXBFKQWFBGA-CYBMUJFWSA-N 2 0 243.395 0.686 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365331985 386041019 /nfs/dbraw/zinc/04/10/19/386041019.db2.gz GGQZAYUXRKMNAC-KXNHARMFSA-N 2 0 237.347 0.324 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365332484 386041038 /nfs/dbraw/zinc/04/10/38/386041038.db2.gz HWCDSKVILZJWOD-QJPTWQEYSA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365331986 386041382 /nfs/dbraw/zinc/04/13/82/386041382.db2.gz GGQZAYUXRKMNAC-NNYUYHANSA-N 2 0 237.347 0.324 20 0 BCADRP C[NH2+]CCC(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335075065 386042566 /nfs/dbraw/zinc/04/25/66/386042566.db2.gz YNLKHVXDPJTHAC-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000334437133 386043364 /nfs/dbraw/zinc/04/33/64/386043364.db2.gz QVQOJGCUJSAOPT-LLVKDONJSA-N 2 0 239.363 0.573 20 0 BCADRP CC[N@H+](C)CCNC(=O)CCC1CC[NH2+]CC1 ZINC000054133244 386111099 /nfs/dbraw/zinc/11/10/99/386111099.db2.gz VHIFFNYGPWYBLJ-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C1(C[NH3+])CCCC1 ZINC000237098153 259681199 /nfs/dbraw/zinc/68/11/99/259681199.db2.gz GOZRYWPSPCAKIO-JTQLQIEISA-N 2 0 227.352 0.477 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000054342496 386120542 /nfs/dbraw/zinc/12/05/42/386120542.db2.gz GLEMOUYNLHFEIL-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000054340065 386121031 /nfs/dbraw/zinc/12/10/31/386121031.db2.gz FKQVBFHBTKYWDD-ZJUUUORDSA-N 2 0 225.336 0.182 20 0 BCADRP CC[C@H](C(=O)N1CC([NH+](C)C)C1)[NH+](CC)CC ZINC000345202506 386058251 /nfs/dbraw/zinc/05/82/51/386058251.db2.gz ARDXMUWOQILOIT-GFCCVEGCSA-N 2 0 241.379 0.879 20 0 BCADRP CC[C@@H](C(=O)N1CC([NH+](C)C)C1)[NH+](CC)CC ZINC000345202507 386058610 /nfs/dbraw/zinc/05/86/10/386058610.db2.gz ARDXMUWOQILOIT-LBPRGKRZSA-N 2 0 241.379 0.879 20 0 BCADRP C[NH2+][C@@H]1CCN(C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414649187 386059630 /nfs/dbraw/zinc/05/96/30/386059630.db2.gz CBKXUSIWLUIGHG-GRYCIOLGSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335073464 386065207 /nfs/dbraw/zinc/06/52/07/386065207.db2.gz NPVMNMDGSASFFK-QWRGUYRKSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1CC2(CN1C(=O)[C@H]1CC[NH2+]1)CC[NH2+]CC2 ZINC000335073501 386065934 /nfs/dbraw/zinc/06/59/34/386065934.db2.gz ODVNFVPASGGNJH-GHMZBOCLSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+]CCCC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335064437 386074489 /nfs/dbraw/zinc/07/44/89/386074489.db2.gz YKQHWKFXJYTNNK-NSHDSACASA-N 2 0 233.315 0.642 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)CC1CC[NH2+]CC1 ZINC000237278695 259682185 /nfs/dbraw/zinc/68/21/85/259682185.db2.gz GNNWGYDCUURECC-SNVBAGLBSA-N 2 0 227.352 0.348 20 0 BCADRP CN(C(=O)C[NH2+]C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC000310093914 386095959 /nfs/dbraw/zinc/09/59/59/386095959.db2.gz KOQSBVJDSRJAQW-LBPRGKRZSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCN[C@@H](C)C2)CC[NH2+]1 ZINC000414663486 386099857 /nfs/dbraw/zinc/09/98/57/386099857.db2.gz SEYJFWKIFNNAFW-WOPDTQHZSA-N 2 0 211.353 0.668 20 0 BCADRP CC(C)NC(=O)C[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414673077 386145412 /nfs/dbraw/zinc/14/54/12/386145412.db2.gz BNJDDEFOPREFMX-RYUDHWBXSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]1CN(C(=O)CC2(C[NH3+])CC2)[C@@H](C)C[NH2+]1 ZINC000335157080 386150949 /nfs/dbraw/zinc/15/09/49/386150949.db2.gz PPNLYLKZBONPDL-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]C1CC1 ZINC000647755741 386156830 /nfs/dbraw/zinc/15/68/30/386156830.db2.gz DUNGCYBZUTXVDM-UHFFFAOYSA-N 2 0 248.330 0.629 20 0 BCADRP COC(=O)C[C@@H]1CCC[N@@H+]1CCC[NH3+] ZINC000414693855 386190497 /nfs/dbraw/zinc/19/04/97/386190497.db2.gz FLQYNEUBTOQCOP-VIFPVBQESA-N 2 0 200.282 0.363 20 0 BCADRP C[C@H]1C[C@@H](C[N@H+](C)CC(=O)N(C)C)CC[NH2+]1 ZINC000414681952 386167741 /nfs/dbraw/zinc/16/77/41/386167741.db2.gz QELOQRSUYHVZFS-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP Cc1nccn1CC[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000164631924 386169100 /nfs/dbraw/zinc/16/91/00/386169100.db2.gz GZYFVPINCCNVSB-PWSUYJOCSA-N 2 0 223.320 0.894 20 0 BCADRP C[C@H]1C[N@H+](CCCn2ccnc2)CC[C@@H]1O ZINC000164615917 386171112 /nfs/dbraw/zinc/17/11/12/386171112.db2.gz TUSJHCOMCVGYIA-RYUDHWBXSA-N 2 0 223.320 0.976 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)C1CC[NH+](C)CC1 ZINC000346225332 386176772 /nfs/dbraw/zinc/17/67/72/386176772.db2.gz OGOYGEIGJTVGTN-JTQLQIEISA-N 2 0 227.352 0.395 20 0 BCADRP COc1ccc2c(c1)[C@H]([NH3+])CCN2C(=O)CC[NH3+] ZINC000365492630 386129986 /nfs/dbraw/zinc/12/99/86/386129986.db2.gz NGFXOZVHSSCNOP-LLVKDONJSA-N 2 0 249.314 0.781 20 0 BCADRP Cn1cccc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000382368020 386141474 /nfs/dbraw/zinc/14/14/74/386141474.db2.gz XUGPSUYGOSFHCY-PHIMTYICSA-N 2 0 205.305 0.676 20 0 BCADRP C[C@H]1C[C@@H](C[N@H+](CCO)C2CC2)CC[NH2+]1 ZINC000414674604 386142682 /nfs/dbraw/zinc/14/26/82/386142682.db2.gz KTMATUWTDPWKNR-QWRGUYRKSA-N 2 0 212.337 0.831 20 0 BCADRP CC(C)C[C@H]([NH3+])CN[C@H]1C[NH2+]CCC1(F)F ZINC000414998413 386200761 /nfs/dbraw/zinc/20/07/61/386200761.db2.gz IZANJZWUYRDNFI-UWVGGRQHSA-N 2 0 235.322 0.947 20 0 BCADRP COCC[N@H+](CCO)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414699319 386202674 /nfs/dbraw/zinc/20/26/74/386202674.db2.gz SXEYOOPEIPSINP-VXGBXAGGSA-N 2 0 230.352 0.315 20 0 BCADRP C[C@H]1C[C@H](C[N@H+](C)CC(C)(CO)CO)CC[NH2+]1 ZINC000414697228 386203139 /nfs/dbraw/zinc/20/31/39/386203139.db2.gz IHDABBOUCXOPNV-NWDGAFQWSA-N 2 0 244.379 0.297 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000131761892 386222097 /nfs/dbraw/zinc/22/20/97/386222097.db2.gz PXDAWYOGMIMZEK-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]1SCC[N@H+](CCN2CC[NH2+]CC2)[C@H]1C ZINC000132419598 386234418 /nfs/dbraw/zinc/23/44/18/386234418.db2.gz VRNGDZONYRYKGI-RYUDHWBXSA-N 2 0 243.420 0.717 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000288892811 386240387 /nfs/dbraw/zinc/24/03/87/386240387.db2.gz AXXSSNNQFCRLQZ-MPKXVKKWSA-N 2 0 247.342 0.809 20 0 BCADRP CC[C@]1(C(=O)N(C)CCC[NH2+]C)CCC[NH2+]1 ZINC000215392930 386243626 /nfs/dbraw/zinc/24/36/26/386243626.db2.gz KKXPWNDBQNPWFL-GFCCVEGCSA-N 2 0 227.352 0.587 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC(C)(C)CC[NH3+] ZINC000638355440 386246146 /nfs/dbraw/zinc/24/61/46/386246146.db2.gz MCZXAFAWGIBPHX-MRVPVSSYSA-N 2 0 201.314 0.228 20 0 BCADRP CC(C)(C)[NH2+]CCN1CCO[C@@H](C[NH3+])C1 ZINC000414719172 386250016 /nfs/dbraw/zinc/25/00/16/386250016.db2.gz XNDXEFIXMRAOTO-JTQLQIEISA-N 2 0 215.341 0.034 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@H]1CC[NH2+]C1 ZINC000647987985 386290849 /nfs/dbraw/zinc/29/08/49/386290849.db2.gz BPULNSUKBHCZEQ-WISYIIOYSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000335263414 386291990 /nfs/dbraw/zinc/29/19/90/386291990.db2.gz HTTZAHPCMUCLOR-SNVBAGLBSA-N 2 0 245.326 0.724 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000091391547 386297142 /nfs/dbraw/zinc/29/71/42/386297142.db2.gz YLWYRNLIWABZDR-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP O=C(C1C[NH2+]C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000091411430 386297976 /nfs/dbraw/zinc/29/79/76/386297976.db2.gz LSRMXYUDKNTEDI-GFCCVEGCSA-N 2 0 237.347 0.293 20 0 BCADRP C[C@H](CNC(=O)NCCC[NH3+])[N@H+](C)C1CC1 ZINC000417538070 386300381 /nfs/dbraw/zinc/30/03/81/386300381.db2.gz DAQZUNMVSWSOLW-SECBINFHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+][C@H]2C(=O)NCC[C@H]2C)CC[NH2+]1 ZINC000414736420 386301739 /nfs/dbraw/zinc/30/17/39/386301739.db2.gz HTSLFFVAIDQSHP-DDHJBXDOSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000336730930 386301787 /nfs/dbraw/zinc/30/17/87/386301787.db2.gz FAWWXOHLJWILBG-KOLCDFICSA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CCC[N@H+](CC)CC1 ZINC000331939157 386306753 /nfs/dbraw/zinc/30/67/53/386306753.db2.gz IFYBBNNQMNMZGZ-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1CO ZINC000414738388 386316817 /nfs/dbraw/zinc/31/68/17/386316817.db2.gz JFOMKQQEJRTHJR-XQHKEYJVSA-N 2 0 226.364 0.935 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003761 386318980 /nfs/dbraw/zinc/31/89/80/386318980.db2.gz LFPWFBTZUGEKSG-GRYCIOLGSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@@H](C[C@@H]1CCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000414902068 386323375 /nfs/dbraw/zinc/32/33/75/386323375.db2.gz JKXKWTFNKRIZPJ-SRVKXCTJSA-N 2 0 211.353 0.859 20 0 BCADRP CC(C)[C@@H](C(=O)NCC1([NH+](C)C)CC1)[NH+](C)C ZINC000416299048 386264664 /nfs/dbraw/zinc/26/46/64/386264664.db2.gz FFFRQLGJHBKXHU-NSHDSACASA-N 2 0 241.379 0.783 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC1([NH+](C)C)CC1 ZINC000416304074 386266056 /nfs/dbraw/zinc/26/60/56/386266056.db2.gz SYJIHDMIQNDVKG-UHFFFAOYSA-N 2 0 227.352 0.537 20 0 BCADRP CC[N@H+](CC(=O)NCC1([NH+](C)C)CC1)C1CC1 ZINC000416308258 386269642 /nfs/dbraw/zinc/26/96/42/386269642.db2.gz PXLVJDDBEPRSEL-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H](O)C[N@H+](CCO)CC[C@@H]1CCC[NH+]1C ZINC000336656820 386274040 /nfs/dbraw/zinc/27/40/40/386274040.db2.gz LRFJWBBAKVPQSA-RYUDHWBXSA-N 2 0 230.352 0.146 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000238063373 259685732 /nfs/dbraw/zinc/68/57/32/259685732.db2.gz AKJAYUXXRGIPOY-QJPTWQEYSA-N 2 0 239.363 0.701 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647987701 386279059 /nfs/dbraw/zinc/27/90/59/386279059.db2.gz SCCPHWYXLABZSX-QJPTWQEYSA-N 2 0 209.337 0.280 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CCOC[C@@H]1C1CC1 ZINC000647989167 386349002 /nfs/dbraw/zinc/34/90/02/386349002.db2.gz SPANULKKJRBMBW-CMPLNLGQSA-N 2 0 210.321 0.707 20 0 BCADRP C[C@@H](CNC(=O)N(C)CC[NH3+])[N@H+](C)C1CC1 ZINC000417548526 386352136 /nfs/dbraw/zinc/35/21/36/386352136.db2.gz IHPJOOYCKMTNHS-VIFPVBQESA-N 2 0 228.340 0.069 20 0 BCADRP C[C@H](CNC(=O)NCC[C@H](C)[NH3+])[N@H+](C)C1CC1 ZINC000417552639 386358037 /nfs/dbraw/zinc/35/80/37/386358037.db2.gz RPPLYROXRBRKPY-VHSXEESVSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H](NC(=O)NC[C@H](C)[N@H+](C)C1CC1)[C@H](C)[NH3+] ZINC000417554557 386362674 /nfs/dbraw/zinc/36/26/74/386362674.db2.gz WITVKXQTRBXAGT-LPEHRKFASA-N 2 0 242.367 0.504 20 0 BCADRP C[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])[N@H+](C)C1CC1 ZINC000417554558 386362760 /nfs/dbraw/zinc/36/27/60/386362760.db2.gz WITVKXQTRBXAGT-UTLUCORTSA-N 2 0 242.367 0.504 20 0 BCADRP NC(=O)C[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647890090 386366802 /nfs/dbraw/zinc/36/68/02/386366802.db2.gz PJYUTMWPUIFELU-MNOVXSKESA-N 2 0 225.336 0.183 20 0 BCADRP C[C@@H](C(=O)NCCC[NH+]1CCCCC1)[C@H](C)[NH3+] ZINC000133768363 386375924 /nfs/dbraw/zinc/37/59/24/386375924.db2.gz QOWNPBIITJSKBO-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH+](CC)CCNC(=O)N[C@@H](C)CC[NH3+] ZINC000416786902 386381849 /nfs/dbraw/zinc/38/18/49/386381849.db2.gz DZOICOZCRJAKCF-JTQLQIEISA-N 2 0 230.356 0.365 20 0 BCADRP C[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](O)C2)CC[NH2+]1 ZINC000414742098 386326722 /nfs/dbraw/zinc/32/67/22/386326722.db2.gz NDDPGACTUJRPSF-SRVKXCTJSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335274546 386331203 /nfs/dbraw/zinc/33/12/03/386331203.db2.gz BJRPGDHDBUETKV-NXEZZACHSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]([NH3+])C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335275672 386335953 /nfs/dbraw/zinc/33/59/53/386335953.db2.gz CUHODPOUFLMUKJ-GHMZBOCLSA-N 2 0 211.353 0.798 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(CCc2cn[nH]n2)C1 ZINC000647970926 386442266 /nfs/dbraw/zinc/44/22/66/386442266.db2.gz LTNKJZOTHLZYFW-JTQLQIEISA-N 2 0 223.324 0.231 20 0 BCADRP C[NH2+]CCC[N@H+](C)CCCc1nc(C)no1 ZINC000647992633 386447762 /nfs/dbraw/zinc/44/77/62/386447762.db2.gz VCXORHOXCGDNNR-UHFFFAOYSA-N 2 0 226.324 0.852 20 0 BCADRP C[NH2+]CCNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000416836380 386393233 /nfs/dbraw/zinc/39/32/33/386393233.db2.gz ZMBQGHLQNAZCEY-UHFFFAOYSA-N 2 0 242.367 0.379 20 0 BCADRP CC[NH+](CC)CCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000416802357 386394179 /nfs/dbraw/zinc/39/41/79/386394179.db2.gz UJYGMZNLPVMFMS-SNVBAGLBSA-N 2 0 228.340 0.071 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)NC(C)(C)C[NH3+] ZINC000417612732 386451316 /nfs/dbraw/zinc/45/13/16/386451316.db2.gz RQWPYSNQUWTAED-UHFFFAOYSA-N 2 0 244.383 0.755 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000417134108 386451813 /nfs/dbraw/zinc/45/18/13/386451813.db2.gz IFCKSPWQCDFMBE-DCAQKATOSA-N 2 0 240.351 0.260 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[NH2+]C ZINC000417591625 386416438 /nfs/dbraw/zinc/41/64/38/386416438.db2.gz XHIDJLFYXXKCQX-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP [NH3+][C@@H](CC(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000237896945 386421324 /nfs/dbraw/zinc/42/13/24/386421324.db2.gz VODCEYRTSYGTJG-OLZOCXBDSA-N 2 0 247.342 0.945 20 0 BCADRP CC[NH+](CC)CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134463902 386430942 /nfs/dbraw/zinc/43/09/42/386430942.db2.gz KQKPSJSVMABATK-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH+](C)CCCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000134471456 386431695 /nfs/dbraw/zinc/43/16/95/386431695.db2.gz HLYFLCZYDVIVAF-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP C[C@@H](CNC(=O)NCC[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000417009697 386434902 /nfs/dbraw/zinc/43/49/02/386434902.db2.gz KOGPGJWXZHBBBY-QWRGUYRKSA-N 2 0 242.367 0.365 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000417002716 386435487 /nfs/dbraw/zinc/43/54/87/386435487.db2.gz GLRYHWICEOWLSF-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)c1ccccc1CC[NH3+] ZINC000519417996 386436603 /nfs/dbraw/zinc/43/66/03/386436603.db2.gz YIPMJNRJRKCIBG-CYBMUJFWSA-N 2 0 249.358 0.901 20 0 BCADRP CN(C(=O)[C@]1(C)CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000062889024 386528657 /nfs/dbraw/zinc/52/86/57/386528657.db2.gz PPSQZIKLUKXKLW-CYBMUJFWSA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414774744 386470607 /nfs/dbraw/zinc/47/06/07/386470607.db2.gz FWJXRFOGCQDXQF-NEPJUHHUSA-N 3 0 211.353 0.657 20 0 BCADRP CCN1C[C@H]([NH2+][C@H]2CCN(C)[C@H](C)C2)CC1=O ZINC000391591572 386471447 /nfs/dbraw/zinc/47/14/47/386471447.db2.gz FLRRSVHXQFANSW-GRYCIOLGSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000417284975 386472981 /nfs/dbraw/zinc/47/29/81/386472981.db2.gz KUNOOZNLAPPUAP-GHMZBOCLSA-N 2 0 242.367 0.363 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062888053 386528796 /nfs/dbraw/zinc/52/87/96/386528796.db2.gz DVKLBSKBZWHPED-CYBMUJFWSA-N 2 0 241.379 0.690 20 0 BCADRP C[N@H+](CCOCC1CC1)CCN1CC[NH2+]CC1 ZINC000094989543 386474390 /nfs/dbraw/zinc/47/43/90/386474390.db2.gz FZWVJZPDUATJLZ-UHFFFAOYSA-N 2 0 241.379 0.250 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@H](C)CC[NH+](C)C ZINC000417317092 386480650 /nfs/dbraw/zinc/48/06/50/386480650.db2.gz HLRXGDDYPARNOB-ZJUUUORDSA-N 2 0 230.356 0.363 20 0 BCADRP C[NH2+]CC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000335428599 386484021 /nfs/dbraw/zinc/48/40/21/386484021.db2.gz ISNHTUCEFWJHIG-GFCCVEGCSA-N 2 0 233.315 0.291 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000519540712 386486328 /nfs/dbraw/zinc/48/63/28/386486328.db2.gz REVSTOMLAAZMNG-IVZWLZJFSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000335435548 386494579 /nfs/dbraw/zinc/49/45/79/386494579.db2.gz UECSLNILOMBOTN-NXEZZACHSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000062073597 386495744 /nfs/dbraw/zinc/49/57/44/386495744.db2.gz JQYLTYGBZVEXNG-WDEREUQCSA-N 2 0 227.352 0.429 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000417319228 386495832 /nfs/dbraw/zinc/49/58/32/386495832.db2.gz NGJVJQFAKOBPGD-MNOVXSKESA-N 2 0 242.367 0.330 20 0 BCADRP C[C@@H](CNC(=O)[C@@H](C)C[NH3+])C[NH+]1CCCC1 ZINC000062073596 386495855 /nfs/dbraw/zinc/49/58/55/386495855.db2.gz JQYLTYGBZVEXNG-QWRGUYRKSA-N 2 0 227.352 0.429 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417317731 386496153 /nfs/dbraw/zinc/49/61/53/386496153.db2.gz JTMUMCRBOWDRPQ-VWYCJHECSA-N 2 0 242.367 0.458 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)NCC(C)(C)[NH3+] ZINC000417317713 386496557 /nfs/dbraw/zinc/49/65/57/386496557.db2.gz JQXKIKVFCLNCQO-VIFPVBQESA-N 2 0 230.356 0.363 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417323374 386499864 /nfs/dbraw/zinc/49/98/64/386499864.db2.gz XZNXERCJNFXDMM-MWLCHTKSSA-N 2 0 242.367 0.363 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062113080 386502054 /nfs/dbraw/zinc/50/20/54/386502054.db2.gz ANLZIXNSLIBXMF-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335441584 386502098 /nfs/dbraw/zinc/50/20/98/386502098.db2.gz DSAAPXPZEWXLSL-GHMZBOCLSA-N 2 0 225.336 0.054 20 0 BCADRP CC(C)C[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000062116050 386502297 /nfs/dbraw/zinc/50/22/97/386502297.db2.gz WSMVDXRKMRLILC-NEPJUHHUSA-N 2 0 241.379 0.688 20 0 BCADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062113122 386502602 /nfs/dbraw/zinc/50/26/02/386502602.db2.gz MWPBPHAZQDQRBD-VXGBXAGGSA-N 2 0 241.379 0.688 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335441524 386502596 /nfs/dbraw/zinc/50/25/96/386502596.db2.gz CYUKFOCBYNQVDA-ZJUUUORDSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)[C@H](C[NH2+]C[C@H](C)O)N1CC[NH+](C)CC1 ZINC000519598783 386503629 /nfs/dbraw/zinc/50/36/29/386503629.db2.gz RUSCEBYYUWKQIL-STQMWFEESA-N 2 0 243.395 0.229 20 0 BCADRP COc1cccc(C[C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)n1 ZINC000415019956 386509304 /nfs/dbraw/zinc/50/93/04/386509304.db2.gz AJXBGADGOCJOGK-WUWHUORYSA-N 2 0 247.342 0.829 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000519632510 386510464 /nfs/dbraw/zinc/51/04/64/386510464.db2.gz IEXXHHWIVWTNJK-LBPRGKRZSA-N 2 0 235.331 0.802 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)CC1CCC1 ZINC000061458177 386513482 /nfs/dbraw/zinc/51/34/82/386513482.db2.gz CUZGLQHIHAJFGU-UHFFFAOYSA-N 2 0 211.353 0.624 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)CC1CC[NH2+]CC1 ZINC000519643152 386514389 /nfs/dbraw/zinc/51/43/89/386514389.db2.gz HHMRBFSRACRHLN-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP Cc1c[nH]nc1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000335449147 386516946 /nfs/dbraw/zinc/51/69/46/386516946.db2.gz VZLBNUHJATURER-ZJUUUORDSA-N 2 0 208.309 0.887 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335448343 386517509 /nfs/dbraw/zinc/51/75/09/386517509.db2.gz NFTMWWJIAKWHEW-CMPLNLGQSA-N 3 0 211.353 0.574 20 0 BCADRP C[C@@H](CC1CCOCC1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415037793 386524422 /nfs/dbraw/zinc/52/44/22/386524422.db2.gz NIHQVGGMRIARPQ-FTYKPCCVSA-N 2 0 224.348 0.999 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000336755061 386527781 /nfs/dbraw/zinc/52/77/81/386527781.db2.gz XIUDMTXVXCPLBG-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000638422706 386462186 /nfs/dbraw/zinc/46/21/86/386462186.db2.gz HKPKLIJOTGVWCC-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](NC1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000335453505 386528245 /nfs/dbraw/zinc/52/82/45/386528245.db2.gz WFRRIQSGLVKMAQ-PWSUYJOCSA-N 2 0 211.353 0.859 20 0 BCADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCC[NH2+]C)C1 ZINC000417236043 386464424 /nfs/dbraw/zinc/46/44/24/386464424.db2.gz DDDAPZWJIKMXIH-NSHDSACASA-N 2 0 242.367 0.237 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000094648199 386464986 /nfs/dbraw/zinc/46/49/86/386464986.db2.gz ZWOSTHOBJLBCMI-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CC1CCC1 ZINC000061458155 386466032 /nfs/dbraw/zinc/46/60/32/386466032.db2.gz LORPZJNUODCZBM-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP CO[C@]1(C[NH2+][C@@H]2CN(C)C[C@@H]2C)CCOC1 ZINC000336757000 386577108 /nfs/dbraw/zinc/57/71/08/386577108.db2.gz HJUZWUJNIQYMQP-TUAOUCFPSA-N 2 0 228.336 0.332 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000335414127 386580224 /nfs/dbraw/zinc/58/02/24/386580224.db2.gz MVDOAXCUFMXYCS-NXEZZACHSA-N 2 0 228.340 0.069 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C1 ZINC000647779787 386583571 /nfs/dbraw/zinc/58/35/71/386583571.db2.gz QZAFMLNPGAEUSZ-WOPDTQHZSA-N 2 0 239.363 0.442 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])C1 ZINC000335416724 386583687 /nfs/dbraw/zinc/58/36/87/386583687.db2.gz KTGACDDTCGBGCX-DGCLKSJQSA-N 2 0 247.342 0.802 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000647779675 386584623 /nfs/dbraw/zinc/58/46/23/386584623.db2.gz FJXNCHYODVLCEG-IJLUTSLNSA-N 2 0 239.363 0.395 20 0 BCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000124003641 386593044 /nfs/dbraw/zinc/59/30/44/386593044.db2.gz QTGJJULPJBMTDG-QWHCGFSZSA-N 2 0 247.342 0.425 20 0 BCADRP COC(=O)c1ccc(CN[C@H](C[NH3+])C2CC2)o1 ZINC000414799483 386592880 /nfs/dbraw/zinc/59/28/80/386592880.db2.gz JYCXZLXSASKKKE-SNVBAGLBSA-N 2 0 238.287 0.893 20 0 BCADRP [NH3+]CC1(CC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000335423726 386598836 /nfs/dbraw/zinc/59/88/36/386598836.db2.gz NJDHPTRHLUQAKU-GHMZBOCLSA-N 2 0 237.347 0.183 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000417675168 386531026 /nfs/dbraw/zinc/53/10/26/386531026.db2.gz BHOMDPFKEPBHIS-VHSXEESVSA-N 2 0 240.351 0.260 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000062902356 386531308 /nfs/dbraw/zinc/53/13/08/386531308.db2.gz JKPHKKKZSLURTM-CYBMUJFWSA-N 2 0 239.363 0.444 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]([NH3+])C(C)C)C1 ZINC000062972669 386534894 /nfs/dbraw/zinc/53/48/94/386534894.db2.gz KLHBXSRYUHKBSO-VXGBXAGGSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973561 386534927 /nfs/dbraw/zinc/53/49/27/386534927.db2.gz HVARXZHIGQUUED-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000262635498 386539664 /nfs/dbraw/zinc/53/96/64/386539664.db2.gz HFQKJMFNCBEQRD-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000335463364 386547368 /nfs/dbraw/zinc/54/73/68/386547368.db2.gz FCHBLJUONCBMGR-LLVKDONJSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000335464884 386551531 /nfs/dbraw/zinc/55/15/31/386551531.db2.gz NZPAEIJPLPYGKL-PHIMTYICSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)[NH+](CCCNC(=O)CC[NH3+])C(C)C ZINC000519766222 386552627 /nfs/dbraw/zinc/55/26/27/386552627.db2.gz LRTZWGROIVHILX-UHFFFAOYSA-N 2 0 229.368 0.960 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000519763115 386552881 /nfs/dbraw/zinc/55/28/81/386552881.db2.gz JNNCVUKFCDMXDD-IUCAKERBSA-N 2 0 213.325 0.099 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000519776110 386554434 /nfs/dbraw/zinc/55/44/34/386554434.db2.gz YITAUCLNZFRWPU-TUAOUCFPSA-N 2 0 239.363 0.442 20 0 BCADRP CC[N@H+](CC(=O)N1CC[NH2+]C(C)(C)C1)C1CC1 ZINC000442718363 386556934 /nfs/dbraw/zinc/55/69/34/386556934.db2.gz LTGGHIVCLHGJJV-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP CO[C@H](C[NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000353189940 386557192 /nfs/dbraw/zinc/55/71/92/386557192.db2.gz NYTKOSWCCNYOJI-SNVBAGLBSA-N 2 0 243.351 0.128 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000519812615 386559916 /nfs/dbraw/zinc/55/99/16/386559916.db2.gz KYJSWRBBUJUQSE-WCQYABFASA-N 2 0 249.358 0.800 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000366683042 386560085 /nfs/dbraw/zinc/56/00/85/386560085.db2.gz RJXISEQIIWVWTQ-UZWSLXQKSA-N 2 0 237.347 0.372 20 0 BCADRP C[C@H](C[NH2+][C@@H]1CCO[C@H]1C)C[NH+](C)C ZINC000308575050 386560458 /nfs/dbraw/zinc/56/04/58/386560458.db2.gz MCWOREXRKRJMNR-OUAUKWLOSA-N 2 0 200.326 0.951 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N(C)C1CC([NH3+])C1 ZINC000332064753 386563729 /nfs/dbraw/zinc/56/37/29/386563729.db2.gz RFEKOLLCINLDFM-IDKOKCKLSA-N 2 0 228.340 0.068 20 0 BCADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000335405830 386564425 /nfs/dbraw/zinc/56/44/25/386564425.db2.gz HTQCFBBHVKVZRL-CABZTGNLSA-N 2 0 233.315 0.880 20 0 BCADRP CC[C@]1(C(=O)NCC[C@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000184074726 386567393 /nfs/dbraw/zinc/56/73/93/386567393.db2.gz TXFKRDMUEDEQPI-DGCLKSJQSA-N 2 0 239.363 0.634 20 0 BCADRP C[N@H+](CCNC(=O)[C@]1(C)CCCC[NH2+]1)C1CC1 ZINC000136205441 386569941 /nfs/dbraw/zinc/56/99/41/386569941.db2.gz ZFTCZEDJGNXLOT-ZDUSSCGKSA-N 2 0 239.363 0.729 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000335409909 386572139 /nfs/dbraw/zinc/57/21/39/386572139.db2.gz QXTONCVAHVEWNB-VXGBXAGGSA-N 2 0 237.347 0.245 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000335409109 386572273 /nfs/dbraw/zinc/57/22/73/386572273.db2.gz AGIYBSIJDNYJQR-VXGBXAGGSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)C[C@H]([NH3+])CNC[C@@H]([NH3+])C(C)C ZINC000414795114 386573423 /nfs/dbraw/zinc/57/34/23/386573423.db2.gz MMKAHDWCGQIHJE-WDEREUQCSA-N 2 0 201.358 0.933 20 0 BCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1(C)C[NH2+]C1 ZINC000335497321 386621067 /nfs/dbraw/zinc/62/10/67/386621067.db2.gz UZZWEBXSQDIWKV-LLVKDONJSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000414925113 386628558 /nfs/dbraw/zinc/62/85/58/386628558.db2.gz JHHPLGLIROHMOZ-UTUOFQBUSA-N 2 0 211.353 0.716 20 0 BCADRP CC1(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C[NH2+]C1 ZINC000335502801 386632159 /nfs/dbraw/zinc/63/21/59/386632159.db2.gz ZTMVKOSYSPYOPD-ZDUSSCGKSA-N 2 0 237.347 0.198 20 0 BCADRP C[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000415121452 386632477 /nfs/dbraw/zinc/63/24/77/386632477.db2.gz HJDMLURBAQDOKQ-FRRDWIJNSA-N 2 0 225.380 0.903 20 0 BCADRP C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000415138970 386633393 /nfs/dbraw/zinc/63/33/93/386633393.db2.gz ZJULGMKNBGSMDW-AGIUHOORSA-N 2 0 225.380 0.903 20 0 BCADRP Cc1noc(CCC[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000647906744 386639801 /nfs/dbraw/zinc/63/98/01/386639801.db2.gz XZLQZXHQKYAXIL-ONGXEEELSA-N 2 0 238.335 0.980 20 0 BCADRP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[C@H](C)[NH3+] ZINC000493966381 533180511 /nfs/dbraw/zinc/18/05/11/533180511.db2.gz AGQBAYFGQSUNOF-JFGNBEQYSA-N 2 0 239.363 0.665 20 0 BCADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC000337195609 386646393 /nfs/dbraw/zinc/64/63/93/386646393.db2.gz WAVDAKLQGCRPRO-STQMWFEESA-N 2 0 244.379 0.800 20 0 BCADRP CC[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)CC[C@H]1[NH3+] ZINC000647937765 386646392 /nfs/dbraw/zinc/64/63/92/386646392.db2.gz ATDXIXUVMQHJAT-CHWSQXEVSA-N 2 0 249.358 0.945 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000335513086 386649250 /nfs/dbraw/zinc/64/92/50/386649250.db2.gz VQMSLDCRNPMFAL-LLVKDONJSA-N 2 0 239.363 0.585 20 0 BCADRP COC(=O)c1ccc(CN[C@H](C[NH3+])C2CC2)[nH]1 ZINC000414803756 386601038 /nfs/dbraw/zinc/60/10/38/386601038.db2.gz NZGFAVKMZRAGNS-LLVKDONJSA-N 2 0 237.303 0.628 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000366496871 386602234 /nfs/dbraw/zinc/60/22/34/386602234.db2.gz KURLBDPVAZLQPB-SDDRHHMPSA-N 2 0 239.363 0.570 20 0 BCADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCC[NH2+]1 ZINC000335496063 386617919 /nfs/dbraw/zinc/61/79/19/386617919.db2.gz QAZCSKBBGIQIKB-LBPRGKRZSA-N 2 0 231.299 0.980 20 0 BCADRP C[C@]1(C[NH3+])CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000647954734 386682138 /nfs/dbraw/zinc/68/21/38/386682138.db2.gz UPHXJZGKZWLELD-VXGBXAGGSA-N 3 0 211.353 0.657 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000120178692 386663353 /nfs/dbraw/zinc/66/33/53/386663353.db2.gz OCMQGSDZOOEWCP-WDEREUQCSA-N 2 0 227.352 0.441 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000335522584 386663731 /nfs/dbraw/zinc/66/37/31/386663731.db2.gz YONDDPAJULVSLD-UHFFFAOYSA-N 2 0 227.352 0.666 20 0 BCADRP C[NH2+]CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000428122906 386663994 /nfs/dbraw/zinc/66/39/94/386663994.db2.gz DBEQHMQBWZQDAE-PHIMTYICSA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185060135 386666123 /nfs/dbraw/zinc/66/61/23/386666123.db2.gz IJORVWYXHBXQSA-TUAOUCFPSA-N 2 0 239.363 0.522 20 0 BCADRP [NH3+]CCCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973343 386667439 /nfs/dbraw/zinc/66/74/39/386667439.db2.gz UDUBJDVWYIQWTF-GFCCVEGCSA-N 2 0 211.353 0.895 20 0 BCADRP C[C@@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)C[NH+](C)C ZINC000425934033 386671211 /nfs/dbraw/zinc/67/12/11/386671211.db2.gz YSLHEFXSOKKABM-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417776709 386710524 /nfs/dbraw/zinc/71/05/24/386710524.db2.gz BGYLSGGILXHIOE-JTQLQIEISA-N 2 0 227.352 0.490 20 0 BCADRP C[C@H](C(=O)N(C)C)N(C)CCC[NH+]1CCCC1 ZINC000337278203 386698373 /nfs/dbraw/zinc/69/83/73/386698373.db2.gz SKMJEEUPPSPEEF-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000335475461 386698262 /nfs/dbraw/zinc/69/82/62/386698262.db2.gz AJUWTIBKNKASMM-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000335476548 386702136 /nfs/dbraw/zinc/70/21/36/386702136.db2.gz CYRIANXMVJSMDN-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@]1(C[NH2+]CC2(C)CC[NH2+]CC2)CC[NH2+]C1 ZINC000520582114 386702008 /nfs/dbraw/zinc/70/20/08/386702008.db2.gz ORNGJULRTSSLOW-ZDUSSCGKSA-N 3 0 225.380 0.965 20 0 BCADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)Cn1cccn1 ZINC000414829910 386707016 /nfs/dbraw/zinc/70/70/16/386707016.db2.gz BPSLNFSUEPASFM-MNOVXSKESA-N 2 0 210.325 0.717 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)[C@H]([NH3+])COC ZINC000357168184 386730933 /nfs/dbraw/zinc/73/09/33/386730933.db2.gz BIDQFEMTDCJGGO-LLVKDONJSA-N 2 0 245.367 0.198 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H](C)C[NH3+] ZINC000357202427 386736978 /nfs/dbraw/zinc/73/69/78/386736978.db2.gz QKSPVTKWDJXOAB-SNVBAGLBSA-N 2 0 215.341 0.429 20 0 BCADRP CCOC[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000357082358 386714270 /nfs/dbraw/zinc/71/42/70/386714270.db2.gz WOTSQFKZNDSPMF-GFCCVEGCSA-N 2 0 230.352 0.710 20 0 BCADRP C[NH+](C)C1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000645100711 386716774 /nfs/dbraw/zinc/71/67/74/386716774.db2.gz PYDXGUXNLZTTKB-UHFFFAOYSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000417786325 386721198 /nfs/dbraw/zinc/72/11/98/386721198.db2.gz QVKDUXQVPAAYFR-VWYCJHECSA-N 2 0 225.336 0.243 20 0 BCADRP NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044529702 386722483 /nfs/dbraw/zinc/72/24/83/386722483.db2.gz VBQRKEBWEQCDFM-LBPRGKRZSA-N 2 0 247.342 0.956 20 0 BCADRP O=C(C[NH2+]C1CC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638509540 386746131 /nfs/dbraw/zinc/74/61/31/386746131.db2.gz SRZFATARVMFJQC-JTQLQIEISA-N 2 0 223.320 0.139 20 0 BCADRP C(C[C@H]1CCC[NH2+]C1)[NH2+][C@H]1CCCNC1 ZINC000414842037 386748557 /nfs/dbraw/zinc/74/85/57/386748557.db2.gz OSSLPOQBMOSACT-NEPJUHHUSA-N 2 0 211.353 0.718 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357296202 386754552 /nfs/dbraw/zinc/75/45/52/386754552.db2.gz KURDHKRHHLMKSO-ZKKRXERASA-N 2 0 227.352 0.472 20 0 BCADRP C[NH+](C)Cc1ccsc1C(=O)NCC[NH3+] ZINC000269119540 386755180 /nfs/dbraw/zinc/75/51/80/386755180.db2.gz QMBDMIDTWKDSQV-UHFFFAOYSA-N 2 0 227.333 0.498 20 0 BCADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc2c(c1)nnn2C ZINC000414844023 386769985 /nfs/dbraw/zinc/76/99/85/386769985.db2.gz QWPTZIXLPAORCW-SNVBAGLBSA-N 2 0 247.346 0.913 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000357362088 386767740 /nfs/dbraw/zinc/76/77/40/386767740.db2.gz GUEIGGRAONEMEZ-NWDGAFQWSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H]1COCC[C@H]1[NH2+]CCC[NH+](C)C ZINC000192129323 386743940 /nfs/dbraw/zinc/74/39/40/386743940.db2.gz UOBVKAWIGPKZTN-WDEREUQCSA-N 2 0 200.326 0.953 20 0 BCADRP O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@]12C[C@H]1CC[NH2+]2 ZINC000417828712 386790649 /nfs/dbraw/zinc/79/06/49/386790649.db2.gz PDPATRZAHPHCJO-DCQANWLSSA-N 2 0 235.331 0.091 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000417829262 386791287 /nfs/dbraw/zinc/79/12/87/386791287.db2.gz GGBHUZDPYZJEPB-NOHGZBONSA-N 2 0 239.363 0.842 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417831150 386791320 /nfs/dbraw/zinc/79/13/20/386791320.db2.gz KDXXDMVRZVPRGY-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000417828297 386791434 /nfs/dbraw/zinc/79/14/34/386791434.db2.gz FCIXKYQTRZQFNM-MDZLAQPJSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000417835971 386792710 /nfs/dbraw/zinc/79/27/10/386792710.db2.gz UJWPBZMBUDYUOK-GARJFASQSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417833233 386792977 /nfs/dbraw/zinc/79/29/77/386792977.db2.gz LWYVKVFUQAIRQO-RWMBFGLXSA-N 2 0 247.342 0.596 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417832668 386793333 /nfs/dbraw/zinc/79/33/33/386793333.db2.gz LJVXIWMVLPILHU-QXEWZRGKSA-N 2 0 227.352 0.603 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000417837513 386796010 /nfs/dbraw/zinc/79/60/10/386796010.db2.gz MMEDTWJRAYMNGP-WOPDTQHZSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C1CC1 ZINC000340814219 386780692 /nfs/dbraw/zinc/78/06/92/386780692.db2.gz HJCGZEVSFMLLOW-ZYHUDNBSSA-N 2 0 239.363 0.680 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000417812579 386781535 /nfs/dbraw/zinc/78/15/35/386781535.db2.gz OSCHDGWOUNTBOM-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000417824522 386783627 /nfs/dbraw/zinc/78/36/27/386783627.db2.gz ABJROFFHYHKJSK-GHMZBOCLSA-N 2 0 227.352 0.413 20 0 BCADRP CC(C)C[C@H]([NH3+])CN[C@H]1CC[NH2+]C[C@H]1C ZINC000414933842 386783714 /nfs/dbraw/zinc/78/37/14/386783714.db2.gz DSEBWXVHHHOJJH-WOPDTQHZSA-N 2 0 213.369 0.947 20 0 BCADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)CC[NH3+] ZINC000417827070 386783974 /nfs/dbraw/zinc/78/39/74/386783974.db2.gz FFTJFIIPYIBZOQ-GFCCVEGCSA-N 2 0 235.331 0.714 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000417825857 386784249 /nfs/dbraw/zinc/78/42/49/386784249.db2.gz BQAYIKOOFGWIIV-XHNCKOQMSA-N 2 0 215.341 0.459 20 0 BCADRP CN(CC[NH3+])C(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000417825622 386784522 /nfs/dbraw/zinc/78/45/22/386784522.db2.gz BHQZHRKFXKCSOU-CQSZACIVSA-N 2 0 247.342 0.335 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000417824983 386784535 /nfs/dbraw/zinc/78/45/35/386784535.db2.gz ATIDGTHSHAOJSO-USZNOCQGSA-N 2 0 239.363 0.842 20 0 BCADRP C[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000417827234 386784661 /nfs/dbraw/zinc/78/46/61/386784661.db2.gz CZZLKDNYAFGNIZ-WOPDTQHZSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000417827140 386784730 /nfs/dbraw/zinc/78/47/30/386784730.db2.gz CVAPQGDUEUNYCU-SDDRHHMPSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000417827074 386784914 /nfs/dbraw/zinc/78/49/14/386784914.db2.gz FFZYIMNSXHVQIE-QWRGUYRKSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000417825843 386785170 /nfs/dbraw/zinc/78/51/70/386785170.db2.gz BOFLDVSNFVJCAN-HNCHTBHHSA-N 2 0 241.379 0.803 20 0 BCADRP C[C@@H](C(=O)N(C)CC[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000417825328 386785542 /nfs/dbraw/zinc/78/55/42/386785542.db2.gz BBDFHLIMLSJPTD-PWSUYJOCSA-N 2 0 235.331 0.740 20 0 BCADRP C[C@H]1CCN(C(=O)C[NH2+]CC2CC2)C[C@@H]1C[NH3+] ZINC000417825850 386785747 /nfs/dbraw/zinc/78/57/47/386785747.db2.gz BPMSLABAKCDAEN-JQWIXIFHSA-N 2 0 239.363 0.429 20 0 BCADRP CC(C)(O)C[NH+]1CCC([NH2+]C2CC2)CC1 ZINC000647908808 386788643 /nfs/dbraw/zinc/78/86/43/386788643.db2.gz LQDCSGUZYJGWSY-UHFFFAOYSA-N 2 0 212.337 0.974 20 0 BCADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCO)C1 ZINC000340861227 386789245 /nfs/dbraw/zinc/78/92/45/386789245.db2.gz BYXSDIRJLWOYEA-LBPRGKRZSA-N 2 0 230.352 0.411 20 0 BCADRP [NH3+]C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000417843380 386798885 /nfs/dbraw/zinc/79/88/85/386798885.db2.gz VIXKOMAXPOZOIX-NEPJUHHUSA-N 2 0 239.363 0.762 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000336669056 386799362 /nfs/dbraw/zinc/79/93/62/386799362.db2.gz RDJXPFSIEBGVLH-MRVPVSSYSA-N 2 0 237.294 0.427 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C[NH2+]CC1CC1 ZINC000417841115 386800094 /nfs/dbraw/zinc/80/00/94/386800094.db2.gz OYFQVOXZRBBQAL-SNVBAGLBSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417844406 386800905 /nfs/dbraw/zinc/80/09/05/386800905.db2.gz WPDHOFHCCYFRBX-KGYLQXTDSA-N 2 0 247.342 0.596 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC[NH3+])C1 ZINC000417853826 386801773 /nfs/dbraw/zinc/80/17/73/386801773.db2.gz PNYJYRKKZCGUSG-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H](NC(=O)N(C)CC[NH3+])C(C)(C)C[NH+](C)C ZINC000417850805 386802620 /nfs/dbraw/zinc/80/26/20/386802620.db2.gz FLZPKBQMFQJVSX-SNVBAGLBSA-N 2 0 244.383 0.563 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000417854423 386802739 /nfs/dbraw/zinc/80/27/39/386802739.db2.gz JWSFPNGCBJQTNN-IVZWLZJFSA-N 2 0 240.351 0.258 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000417853329 386803171 /nfs/dbraw/zinc/80/31/71/386803171.db2.gz OVTQZVNOWXCZIB-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@@]1(C)C[NH3+] ZINC000417851385 386803402 /nfs/dbraw/zinc/80/34/02/386803402.db2.gz YLNVSTVITSBXHG-GIPNMCIBSA-N 2 0 241.379 0.803 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)NCCC[NH3+])C[N@@H+]1C1CC1 ZINC000417859698 386804302 /nfs/dbraw/zinc/80/43/02/386804302.db2.gz SKEBKSSPYCZGOR-VHSXEESVSA-N 2 0 240.351 0.260 20 0 BCADRP CN(CC[NH3+])C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000417847038 386805580 /nfs/dbraw/zinc/80/55/80/386805580.db2.gz UNXVABGGRHKUSQ-ZJUUUORDSA-N 2 0 213.325 0.311 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000417849392 386808473 /nfs/dbraw/zinc/80/84/73/386808473.db2.gz WLENFZPVQWVARF-UWVGGRQHSA-N 2 0 229.368 0.864 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000414935767 386815921 /nfs/dbraw/zinc/81/59/21/386815921.db2.gz UQOUWXNSYUPDGJ-UTUOFQBUSA-N 2 0 211.353 0.574 20 0 BCADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000425339608 386838880 /nfs/dbraw/zinc/83/88/80/386838880.db2.gz CTSNLLNZKLHLKG-GRYCIOLGSA-N 2 0 244.404 0.927 20 0 BCADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000425339609 386841093 /nfs/dbraw/zinc/84/10/93/386841093.db2.gz CTSNLLNZKLHLKG-IJLUTSLNSA-N 2 0 244.404 0.927 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000331366756 386846246 /nfs/dbraw/zinc/84/62/46/386846246.db2.gz DHCFFOALGFQEHB-SNVBAGLBSA-N 2 0 240.351 0.071 20 0 BCADRP CS[C@H]1CC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000425346402 386859022 /nfs/dbraw/zinc/85/90/22/386859022.db2.gz KLZXQBAVCGOLMZ-MNOVXSKESA-N 2 0 244.404 0.927 20 0 BCADRP CS[C@H]1CC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000425346403 386859232 /nfs/dbraw/zinc/85/92/32/386859232.db2.gz KLZXQBAVCGOLMZ-QWRGUYRKSA-N 2 0 244.404 0.927 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC[N@H+](C)C1CC1 ZINC000331496169 386863753 /nfs/dbraw/zinc/86/37/53/386863753.db2.gz QEJAUSARJNTPON-ONGXEEELSA-N 2 0 240.351 0.212 20 0 BCADRP C[C@@H](C[C@@H]1CCC[NH2+]1)NCC1([NH3+])CCC1 ZINC000331511616 386863819 /nfs/dbraw/zinc/86/38/19/386863819.db2.gz BKBAFQSWJFWZHG-QWRGUYRKSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@@]1(CN[C@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000334832301 386869365 /nfs/dbraw/zinc/86/93/65/386869365.db2.gz BTLKUKCESOKSEM-VHSXEESVSA-N 2 0 233.306 0.573 20 0 BCADRP CC[C@@H](C(=O)NC[C@H](C)C[NH+](C)C)[NH+](C)C ZINC000341258021 386869519 /nfs/dbraw/zinc/86/95/19/386869519.db2.gz KTGAYGOQTYOTIG-QWRGUYRKSA-N 2 0 229.368 0.641 20 0 BCADRP C[C@H]1[C@H](NC(=O)N(C)CC[NH3+])CCC[N@@H+]1C ZINC000418009668 386884537 /nfs/dbraw/zinc/88/45/37/386884537.db2.gz UYIWQYBNIRAZBR-VHSXEESVSA-N 2 0 228.340 0.069 20 0 BCADRP COC[C@]1(CNC[C@H]([NH3+])CC(C)C)CCC[NH2+]1 ZINC000414942398 386888647 /nfs/dbraw/zinc/88/86/47/386888647.db2.gz BUABJTNWHDTDTC-CHWSQXEVSA-N 2 0 243.395 0.718 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000331746175 386889884 /nfs/dbraw/zinc/88/98/84/386889884.db2.gz DBYOWNLCCYCFLU-GUBZILKMSA-N 2 0 240.351 0.258 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000125904340 386917548 /nfs/dbraw/zinc/91/75/48/386917548.db2.gz BRVBVCCRVRHMHO-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[NH2+]CC1 ZINC000331905868 386924680 /nfs/dbraw/zinc/92/46/80/386924680.db2.gz RZEWAVGKCPWZSL-LLVKDONJSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H]1C[C@H](C[N@H+](C)C2CC([NH3+])C2)CC[NH2+]1 ZINC000334869593 386928287 /nfs/dbraw/zinc/92/82/87/386928287.db2.gz PMMKNUPFXMQKMH-DMOGRIERSA-N 3 0 211.353 0.796 20 0 BCADRP C[C@@H]1C[C@@H](C[N@H+](C)C2CC(O)C2)CC[NH2+]1 ZINC000334871700 386932816 /nfs/dbraw/zinc/93/28/16/386932816.db2.gz ZPOJTERPCMMQRE-QKEWWQLBSA-N 2 0 212.337 0.830 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C1([NH3+])CCC1)C1CCCC1 ZINC000331966921 386933513 /nfs/dbraw/zinc/93/35/13/386933513.db2.gz LCLRJYDBQIWYBI-SNVBAGLBSA-N 2 0 225.336 0.502 20 0 BCADRP [NH3+]C[C@H](NC(=O)C1([NH3+])CCC1)C1CCCC1 ZINC000331966918 386933521 /nfs/dbraw/zinc/93/35/21/386933521.db2.gz LCLRJYDBQIWYBI-JTQLQIEISA-N 2 0 225.336 0.502 20 0 BCADRP C(CNC1=[NH+]CCCN1)C[NH+]1CCCCC1 ZINC000341608015 386934066 /nfs/dbraw/zinc/93/40/66/386934066.db2.gz DFCPBGNKGIENAJ-UHFFFAOYSA-N 2 0 224.352 0.801 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000335833856 386934029 /nfs/dbraw/zinc/93/40/29/386934029.db2.gz WZFHLIPZGIILTB-VXGBXAGGSA-N 2 0 239.363 0.491 20 0 BCADRP C([NH2+][C@@H]1CCCSC1)[C@@H]1C[NH2+]CCCO1 ZINC000334873976 386935143 /nfs/dbraw/zinc/93/51/43/386935143.db2.gz MFEYPMOCYDHOFW-MNOVXSKESA-N 2 0 230.377 0.850 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000368114799 386940929 /nfs/dbraw/zinc/94/09/29/386940929.db2.gz JNVDADZISCSPGR-OUAUKWLOSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368110377 386942267 /nfs/dbraw/zinc/94/22/67/386942267.db2.gz CENVVDUXFNYQPU-NAKRPEOUSA-N 2 0 225.336 0.038 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368111926 386942278 /nfs/dbraw/zinc/94/22/78/386942278.db2.gz AGAZXBAEHCZFRX-ADEWGFFLSA-N 2 0 239.363 0.346 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000368126371 386944607 /nfs/dbraw/zinc/94/46/07/386944607.db2.gz QMAHMVMPPMVUGU-WOPDTQHZSA-N 2 0 239.363 0.428 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000368261039 386954338 /nfs/dbraw/zinc/95/43/38/386954338.db2.gz AGTILRWZKHFUMX-VLEAKVRGSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000332144967 386964119 /nfs/dbraw/zinc/96/41/19/386964119.db2.gz NDSMMBPICUFSBR-DLOVCJGASA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000332157455 386964620 /nfs/dbraw/zinc/96/46/20/386964620.db2.gz QCNQOHWJUAILTF-NDMJEZRESA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)N[C@@H](C[NH3+])C2CC2)[C@H]1C ZINC000332180691 386965924 /nfs/dbraw/zinc/96/59/24/386965924.db2.gz OOTSNDGNANYIII-QXEWZRGKSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@H]1CCN(C(=O)CCCC[NH3+])C[C@H]1C[NH3+] ZINC000518977411 386967280 /nfs/dbraw/zinc/96/72/80/386967280.db2.gz PDQFBJLAIQDHCS-WDEREUQCSA-N 2 0 227.352 0.559 20 0 BCADRP C[C@@H]1CCN(C(=O)CCCC[NH3+])C[C@@H]1C[NH3+] ZINC000518977409 386967575 /nfs/dbraw/zinc/96/75/75/386967575.db2.gz PDQFBJLAIQDHCS-MNOVXSKESA-N 2 0 227.352 0.559 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368377720 386967538 /nfs/dbraw/zinc/96/75/38/386967538.db2.gz NPANFIGYFYIXEU-VHSXEESVSA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@@H](C(=O)N1CCN(CC)C[C@@H]1C)[NH+](C)C ZINC000341826331 386968666 /nfs/dbraw/zinc/96/86/66/386968666.db2.gz RZSDEJLIWSQCGW-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000518980782 386970132 /nfs/dbraw/zinc/97/01/32/386970132.db2.gz KERWGJHTEDQDCW-QWRGUYRKSA-N 2 0 241.379 0.947 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](COC)C1 ZINC000518990832 386975833 /nfs/dbraw/zinc/97/58/33/386975833.db2.gz SONIKZUUODTDRB-NWDGAFQWSA-N 2 0 230.352 0.315 20 0 BCADRP CC[C@]1(C(=O)N[C@@H](C[NH3+])C2CC2)CC[NH2+]C1 ZINC000368567510 386989186 /nfs/dbraw/zinc/98/91/86/386989186.db2.gz VOIXQWZEWCXZQJ-JQWIXIFHSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]([NH3+])CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000368591832 386991593 /nfs/dbraw/zinc/99/15/93/386991593.db2.gz IXZXXWJTAZNQTF-NTZNESFSSA-N 2 0 239.363 0.620 20 0 BCADRP O=C(C[NH2+]CC1CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000368646651 386997674 /nfs/dbraw/zinc/99/76/74/386997674.db2.gz JUDPIWOHIMJOES-NSHDSACASA-N 2 0 237.347 0.244 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368643906 386998264 /nfs/dbraw/zinc/99/82/64/386998264.db2.gz BPQCYDRJPUNHJE-XFWSIPNHSA-N 2 0 231.315 0.176 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368688299 387003077 /nfs/dbraw/zinc/00/30/77/387003077.db2.gz OJLCOZHRBMNSSH-WHOHXGKFSA-N 2 0 237.347 0.182 20 0 BCADRP CCN1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000334928495 387003148 /nfs/dbraw/zinc/00/31/48/387003148.db2.gz JDSFJOLAJFVGKW-NSHDSACASA-N 2 0 240.351 0.086 20 0 BCADRP CCN1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000334928493 387003330 /nfs/dbraw/zinc/00/33/30/387003330.db2.gz JDSFJOLAJFVGKW-LLVKDONJSA-N 2 0 240.351 0.086 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCNC(=O)C2(C)C)CC[NH2+]1 ZINC000334821368 386948980 /nfs/dbraw/zinc/94/89/80/386948980.db2.gz YAEHNNJYBUQUKS-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368218982 386949528 /nfs/dbraw/zinc/94/95/28/386949528.db2.gz XWGDDLFKXOUSCG-WDEREUQCSA-N 2 0 239.363 0.618 20 0 BCADRP O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1 ZINC000107577529 387032671 /nfs/dbraw/zinc/03/26/71/387032671.db2.gz JKCZVETUTORQMF-TXEJJXNPSA-N 2 0 245.326 0.776 20 0 BCADRP C[C@@H](C[C@H]1COCC[NH2+]1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000333463044 387037656 /nfs/dbraw/zinc/03/76/56/387037656.db2.gz GXDDRVLYHLVQBV-WUHRBBMRSA-N 2 0 241.379 0.613 20 0 BCADRP [NH3+][C@H](C(=O)NCC[NH+]1CCCCC1)C1CCC1 ZINC000399007864 387037789 /nfs/dbraw/zinc/03/77/89/387037789.db2.gz ANIBOUNFTSGIAQ-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H](CNC(=O)[C@@H]([NH3+])C1CCC1)[N@H+](C)C1CC1 ZINC000398996793 387037909 /nfs/dbraw/zinc/03/79/09/387037909.db2.gz PXYWFGSBMVYGOP-SKDRFNHKSA-N 2 0 239.363 0.713 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399002978 387039350 /nfs/dbraw/zinc/03/93/50/387039350.db2.gz UNPCSBYJPIQQGV-NWDGAFQWSA-N 2 0 239.363 0.714 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399002980 387039621 /nfs/dbraw/zinc/03/96/21/387039621.db2.gz UNPCSBYJPIQQGV-VXGBXAGGSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000399026396 387041849 /nfs/dbraw/zinc/04/18/49/387041849.db2.gz HMAVHHLMRKFEQC-GFCCVEGCSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]([NH3+])CC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000648107072 387043595 /nfs/dbraw/zinc/04/35/95/387043595.db2.gz VVXSYGIYTFFSME-PSASIEDQSA-N 2 0 248.330 0.573 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000333663100 387048320 /nfs/dbraw/zinc/04/83/20/387048320.db2.gz LWMPSLXPJIEOOH-GHMZBOCLSA-N 2 0 240.351 0.132 20 0 BCADRP COCC[C@@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313388939 387050586 /nfs/dbraw/zinc/05/05/86/387050586.db2.gz LWLHCIULHGENBD-MNOVXSKESA-N 2 0 216.325 0.461 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399067444 387053190 /nfs/dbraw/zinc/05/31/90/387053190.db2.gz KWXYLSUWLUCDNY-KOLCDFICSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)[C@@H](C)C[NH2+]1 ZINC000648108059 387053259 /nfs/dbraw/zinc/05/32/59/387053259.db2.gz VYBBBKBUORWPAM-UTLUCORTSA-N 2 0 225.336 0.193 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC[N@@H+]1C ZINC000648108007 387053451 /nfs/dbraw/zinc/05/34/51/387053451.db2.gz LGPUMLHALRWNFM-IRCOFANPSA-N 2 0 239.363 0.535 20 0 BCADRP C[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])[C@H](C)C[NH2+]1 ZINC000648107965 387053505 /nfs/dbraw/zinc/05/35/05/387053505.db2.gz HTJMBUZECWCALG-NXEZZACHSA-N 2 0 227.352 0.713 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1CCC ZINC000359209665 387067151 /nfs/dbraw/zinc/06/71/51/387067151.db2.gz AXJMEYOIVNSUSO-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333815482 387058312 /nfs/dbraw/zinc/05/83/12/387058312.db2.gz JZXKECGHFYMHIY-QWRGUYRKSA-N 2 0 240.351 0.261 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000648108431 387058633 /nfs/dbraw/zinc/05/86/33/387058633.db2.gz UKXZVNSUMOXMQQ-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CCN(C)C[C@@H]1C ZINC000228005659 387059594 /nfs/dbraw/zinc/05/95/94/387059594.db2.gz XGJYCQVMMHGOCM-WDEREUQCSA-N 2 0 227.352 0.380 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000228005612 387060270 /nfs/dbraw/zinc/06/02/70/387060270.db2.gz TYBYVUQANOMUIO-JQWIXIFHSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@@H](O)C[C@@H](C)[NH2+]Cc1cnc(N(C)C)n1C ZINC000228065476 387064160 /nfs/dbraw/zinc/06/41/60/387064160.db2.gz VRGAWYRNZWVGPS-NXEZZACHSA-N 2 0 240.351 0.735 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C[C@H]21 ZINC000648108891 387064547 /nfs/dbraw/zinc/06/45/47/387064547.db2.gz APBPYKMLZNJCRY-LYUGOTMTSA-N 2 0 249.358 0.038 20 0 BCADRP [NH3+]C[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000514603389 387010114 /nfs/dbraw/zinc/01/01/14/387010114.db2.gz HQJUVOBLPZUWBX-NWDGAFQWSA-N 2 0 211.353 0.657 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)NCC1([NH3+])CCC1 ZINC000334933604 387010967 /nfs/dbraw/zinc/01/09/67/387010967.db2.gz VRDBMDGGAICNPH-SNVBAGLBSA-N 2 0 240.351 0.391 20 0 BCADRP C[C@@H](CNC(=O)N[C@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000333138458 387017897 /nfs/dbraw/zinc/01/78/97/387017897.db2.gz CRHFCXFVPZVQMZ-UWVGGRQHSA-N 2 0 240.351 0.130 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000519140446 387018878 /nfs/dbraw/zinc/01/88/78/387018878.db2.gz FZIAIVBTSDLHTC-WDEREUQCSA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+]Cc1cc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)co1 ZINC000648103402 387019058 /nfs/dbraw/zinc/01/90/58/387019058.db2.gz KQJUCAFQUNPQSF-NSHDSACASA-N 2 0 249.314 0.705 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000333237288 387023376 /nfs/dbraw/zinc/02/33/76/387023376.db2.gz DFPAMVDNCRQUPE-RHYQMDGZSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000333237286 387023625 /nfs/dbraw/zinc/02/36/25/387023625.db2.gz DFPAMVDNCRQUPE-KXNHARMFSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CCC(C)(C)[NH3+] ZINC000648105248 387023662 /nfs/dbraw/zinc/02/36/62/387023662.db2.gz HRXZPLGPITZUST-NXEZZACHSA-N 2 0 227.352 0.700 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000519157910 387024484 /nfs/dbraw/zinc/02/44/84/387024484.db2.gz OJICEZIVRSMAQU-GFCCVEGCSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC[N@@H+]1C ZINC000648105652 387025191 /nfs/dbraw/zinc/02/51/91/387025191.db2.gz PAUZPEHVNUMZHC-IRCOFANPSA-N 2 0 239.363 0.522 20 0 BCADRP C[NH2+]CCC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000519161762 387026416 /nfs/dbraw/zinc/02/64/16/387026416.db2.gz NARNVMNLDYRKFM-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000398949789 387028593 /nfs/dbraw/zinc/02/85/93/387028593.db2.gz BHHWLVGBIVJJMF-WDEREUQCSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](CO)C[N@@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000639766760 387070920 /nfs/dbraw/zinc/07/09/20/387070920.db2.gz OROGFPDSAAVXBO-NEPJUHHUSA-N 2 0 230.352 0.003 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)C[NH2+]C ZINC000359218836 387070981 /nfs/dbraw/zinc/07/09/81/387070981.db2.gz PGUPPQWZZUTMIE-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH+](C)C1(CNC(=O)N2CC[NH2+]CC2)CCC1 ZINC000418059354 387079780 /nfs/dbraw/zinc/07/97/80/387079780.db2.gz NLOUZOCYPOYTSX-UHFFFAOYSA-N 2 0 240.351 0.086 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000648111251 387081732 /nfs/dbraw/zinc/08/17/32/387081732.db2.gz BEDWCDWMEWTRFT-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)(CNC(=O)NCC[NH3+])C[NH+]1CCCC1 ZINC000418072002 387084146 /nfs/dbraw/zinc/08/41/46/387084146.db2.gz XGKLNZBRBBERKZ-UHFFFAOYSA-N 2 0 242.367 0.366 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000070946155 387084840 /nfs/dbraw/zinc/08/48/40/387084840.db2.gz HAGHQLUWJOSNLK-NSHDSACASA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188754228 387088086 /nfs/dbraw/zinc/08/80/86/387088086.db2.gz IYEBGZNVRJCUON-VHSXEESVSA-N 2 0 231.315 0.143 20 0 BCADRP C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000352341317 387092713 /nfs/dbraw/zinc/09/27/13/387092713.db2.gz WYUQLFQIESEZCJ-WDEREUQCSA-N 2 0 244.383 0.576 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)C12CCC[NH+]1CCC2 ZINC000335004041 387097670 /nfs/dbraw/zinc/09/76/70/387097670.db2.gz AGDOZJQTWKTEGV-LLVKDONJSA-N 2 0 237.347 0.483 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000067592183 387098022 /nfs/dbraw/zinc/09/80/22/387098022.db2.gz MTDKZGHOKVGNJF-GFCCVEGCSA-N 2 0 241.379 0.783 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071378627 387101404 /nfs/dbraw/zinc/10/14/04/387101404.db2.gz BTCBSAWKTGXHGI-GFCCVEGCSA-N 2 0 241.379 0.960 20 0 BCADRP CCCCNC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074259 387117456 /nfs/dbraw/zinc/11/74/56/387117456.db2.gz HDSXYVSZZGJDBG-GFCCVEGCSA-N 2 0 241.379 0.964 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000353128685 387143611 /nfs/dbraw/zinc/14/36/11/387143611.db2.gz LLLNKIRNHSJVIW-UTUOFQBUSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000353155398 387144924 /nfs/dbraw/zinc/14/49/24/387144924.db2.gz AYEGHHSHWJANNC-SRVKXCTJSA-N 2 0 239.363 0.489 20 0 BCADRP COC[C@H](CO)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000229100315 387151407 /nfs/dbraw/zinc/15/14/07/387151407.db2.gz XHSSRLCCOWHJJI-AGIUHOORSA-N 2 0 244.379 0.894 20 0 BCADRP COCC[NH2+]CCN[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423319632 387161180 /nfs/dbraw/zinc/16/11/80/387161180.db2.gz CQBPAKHDWOSNJG-AAEUAGOBSA-N 2 0 241.379 0.295 20 0 BCADRP CC[N@H+](C)CCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000085614203 387162392 /nfs/dbraw/zinc/16/23/92/387162392.db2.gz BEGFYRQSENLPMU-JTQLQIEISA-N 2 0 245.392 0.149 20 0 BCADRP CCC[NH2+]CCNC(=O)CC1(C[NH3+])CC1 ZINC000571761417 387163114 /nfs/dbraw/zinc/16/31/14/387163114.db2.gz LQTLYWUDZRUMBE-UHFFFAOYSA-N 2 0 213.325 0.231 20 0 BCADRP C[C@]1(CN2CC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000336361258 387193090 /nfs/dbraw/zinc/19/30/90/387193090.db2.gz IACGHLWPEFFECB-QWHCGFSZSA-N 2 0 223.364 0.671 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000571761356 387163426 /nfs/dbraw/zinc/16/34/26/387163426.db2.gz HOJXMOWAEDKGEE-YUMQZZPRSA-N 2 0 235.278 0.227 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000571773075 387165436 /nfs/dbraw/zinc/16/54/36/387165436.db2.gz YYKCTHGZNRIXJB-MXWKQRLJSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000571773076 387166345 /nfs/dbraw/zinc/16/63/45/387166345.db2.gz YYKCTHGZNRIXJB-OUAUKWLOSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@@H]([NH3+])C1CC1 ZINC000423327441 387170749 /nfs/dbraw/zinc/17/07/49/387170749.db2.gz RODRJMHAULVXKR-WQAKAFBOSA-N 2 0 223.364 0.796 20 0 BCADRP [NH3+]CCCCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571801778 387173280 /nfs/dbraw/zinc/17/32/80/387173280.db2.gz BYGLZXKFRWAGNZ-ZDUSSCGKSA-N 2 0 239.363 0.718 20 0 BCADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423331648 387176546 /nfs/dbraw/zinc/17/65/46/387176546.db2.gz CQORYPTUMLARAO-RISCZKNCSA-N 2 0 235.375 0.978 20 0 BCADRP COC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)C(C)C ZINC000423330842 387176673 /nfs/dbraw/zinc/17/66/73/387176673.db2.gz UHJMHMIQMJZRDH-MNOVXSKESA-N 2 0 200.326 0.984 20 0 BCADRP Cc1nc(C[NH2+]CCOCC[NH+](C)C)[nH]c1C ZINC000571821179 387178296 /nfs/dbraw/zinc/17/82/96/387178296.db2.gz KLFFBKFSABOBMA-UHFFFAOYSA-N 2 0 240.351 0.694 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062901829 387179194 /nfs/dbraw/zinc/17/91/94/387179194.db2.gz LKKKYWLCMAJAAT-JQWIXIFHSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062902933 387179275 /nfs/dbraw/zinc/17/92/75/387179275.db2.gz NUEUHLMWGJGQFQ-LBPRGKRZSA-N 2 0 227.352 0.444 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062902935 387179831 /nfs/dbraw/zinc/17/98/31/387179831.db2.gz NUEUHLMWGJGQFQ-GFCCVEGCSA-N 2 0 227.352 0.444 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371232263 387179860 /nfs/dbraw/zinc/17/98/60/387179860.db2.gz RLXZMFGTWBLDPX-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@]12C[C@H]1CC[NH2+]2 ZINC000423334055 387180524 /nfs/dbraw/zinc/18/05/24/387180524.db2.gz FLRPIYOICYVCBR-UHXUPSOCSA-N 2 0 249.358 0.481 20 0 BCADRP CC[C@H](NCC[NH2+]CCOC)[C@@H]1CCC[NH2+]1 ZINC000423334552 387180806 /nfs/dbraw/zinc/18/08/06/387180806.db2.gz PHNDJWXGDJPTKK-RYUDHWBXSA-N 2 0 229.368 0.343 20 0 BCADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCO ZINC000371300062 387188865 /nfs/dbraw/zinc/18/88/65/387188865.db2.gz MOHHNBGQQNZEAW-GRYCIOLGSA-N 2 0 228.336 0.162 20 0 BCADRP COCC[NH2+]CCN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423339244 387188906 /nfs/dbraw/zinc/18/89/06/387188906.db2.gz SESUAPDNPKRHAD-NWDGAFQWSA-N 2 0 241.379 0.437 20 0 BCADRP C[NH2+]CCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000062973802 387190666 /nfs/dbraw/zinc/19/06/66/387190666.db2.gz AKERNQVAZZFHDL-GFCCVEGCSA-N 2 0 227.352 0.002 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)CC1(C[NH3+])CC1 ZINC000423301761 387135362 /nfs/dbraw/zinc/13/53/62/387135362.db2.gz GIVXZEUKIZZWOM-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](C[NH3+])CN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423305005 387139059 /nfs/dbraw/zinc/13/90/59/387139059.db2.gz ZXECVMNEDAPHCW-OUAUKWLOSA-N 2 0 211.353 0.796 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1CC[NH2+]CC1 ZINC000186809019 387141187 /nfs/dbraw/zinc/14/11/87/387141187.db2.gz IPNVCGLLIUXUGL-KOLCDFICSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@H](NCC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423352262 387204064 /nfs/dbraw/zinc/20/40/64/387204064.db2.gz AENIPDFTCZXPMM-TUAOUCFPSA-N 2 0 211.353 0.859 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000353464470 387208618 /nfs/dbraw/zinc/20/86/18/387208618.db2.gz XVBSOGPMTQYQJP-WDEREUQCSA-N 2 0 239.363 0.618 20 0 BCADRP COC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)OC ZINC000300418289 387209151 /nfs/dbraw/zinc/20/91/51/387209151.db2.gz MVMGRKJPDCPJBB-FVCCEPFGSA-N 2 0 244.379 0.966 20 0 BCADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC[NH3+] ZINC000418197161 387212827 /nfs/dbraw/zinc/21/28/27/387212827.db2.gz FHFMRCFPPQPCMW-SNVBAGLBSA-N 2 0 230.356 0.365 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418192967 387213808 /nfs/dbraw/zinc/21/38/08/387213808.db2.gz BCKMOIDLTUGQHD-DCAQKATOSA-N 2 0 244.383 0.750 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000571984636 387214841 /nfs/dbraw/zinc/21/48/41/387214841.db2.gz CKHMBAIALOVPQS-LMLFDSFASA-N 2 0 225.336 0.193 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000418203626 387216856 /nfs/dbraw/zinc/21/68/56/387216856.db2.gz VZTRKHDUXCSIIB-NSHDSACASA-N 2 0 244.383 0.624 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418203377 387218213 /nfs/dbraw/zinc/21/82/13/387218213.db2.gz KHDNNBCWRKBOHK-VWYCJHECSA-N 2 0 242.367 0.234 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000418205440 387219261 /nfs/dbraw/zinc/21/92/61/387219261.db2.gz ZBUMZDXOPBIUPR-QWRGUYRKSA-N 2 0 244.383 0.704 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000418209539 387221109 /nfs/dbraw/zinc/22/11/09/387221109.db2.gz RNAMPPOJZLQHMM-UWVGGRQHSA-N 2 0 230.356 0.091 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000572030471 387223116 /nfs/dbraw/zinc/22/31/16/387223116.db2.gz SWJJANUUVPJUDH-JGVFFNPUSA-N 2 0 201.314 0.071 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000418214735 387223486 /nfs/dbraw/zinc/22/34/86/387223486.db2.gz XXEZLLUUHNAWFL-JTQLQIEISA-N 2 0 244.383 0.563 20 0 BCADRP C[C@H]([NH3+])C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000353574839 387233135 /nfs/dbraw/zinc/23/31/35/387233135.db2.gz DFEVBKWXABMSIF-AXFHLTTASA-N 2 0 227.352 0.713 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H](C)CC[NH3+] ZINC000572119057 387239467 /nfs/dbraw/zinc/23/94/67/387239467.db2.gz GGMNQZHSAMPGJS-RKDXNWHRSA-N 2 0 201.314 0.228 20 0 BCADRP CC[NH2+][C@H](C)CN[C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423403737 387240831 /nfs/dbraw/zinc/24/08/31/387240831.db2.gz ZLKMWRIXPDOICO-QJPTWQEYSA-N 2 0 229.368 0.341 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423406600 387244390 /nfs/dbraw/zinc/24/43/90/387244390.db2.gz UWSRNFDRNCLUCI-WYUUTHIRSA-N 2 0 211.353 0.524 20 0 BCADRP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000423416595 387248356 /nfs/dbraw/zinc/24/83/56/387248356.db2.gz FVYSALRJUNSWLP-GMTAPVOTSA-N 2 0 214.353 0.981 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)C[N@@H+]1C1CC1 ZINC000423419717 387248588 /nfs/dbraw/zinc/24/85/88/387248588.db2.gz AMHVNOFOUKLEGO-PUHVVEEASA-N 2 0 249.358 0.480 20 0 BCADRP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000423416597 387249514 /nfs/dbraw/zinc/24/95/14/387249514.db2.gz FVYSALRJUNSWLP-OUAUKWLOSA-N 2 0 214.353 0.981 20 0 BCADRP COCC[C@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000120480491 387249665 /nfs/dbraw/zinc/24/96/65/387249665.db2.gz RCJGQAUNCQGLPO-LBPRGKRZSA-N 2 0 244.379 0.705 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)C1CC1 ZINC000423347775 387198410 /nfs/dbraw/zinc/19/84/10/387198410.db2.gz RBKBZAVHJMMNJP-MDZLAQPJSA-N 2 0 237.347 0.195 20 0 BCADRP CO[C@@H](C[NH3+])C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000353423833 387198433 /nfs/dbraw/zinc/19/84/33/387198433.db2.gz DQQFZMQWZUBZRP-ZJUUUORDSA-N 2 0 245.367 0.053 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)C(C)(C)C[NH3+])C1 ZINC000571925934 387199090 /nfs/dbraw/zinc/19/90/90/387199090.db2.gz GECLJVVRVHDRKD-JTQLQIEISA-N 2 0 227.352 0.429 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)C[NH+]1CCC(C)CC1 ZINC000423462039 387311480 /nfs/dbraw/zinc/31/14/80/387311480.db2.gz UAKGFVPXSMXONO-NSHDSACASA-N 2 0 227.352 0.429 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)CC[NH2+]C1CC1 ZINC000572302711 387311624 /nfs/dbraw/zinc/31/16/24/387311624.db2.gz MYMZWRFYODJVJJ-SECBINFHSA-N 2 0 213.325 0.372 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000648110380 387311695 /nfs/dbraw/zinc/31/16/95/387311695.db2.gz XYLZUEASERKHOI-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000648110381 387312092 /nfs/dbraw/zinc/31/20/92/387312092.db2.gz XYLZUEASERKHOI-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000514936451 387316787 /nfs/dbraw/zinc/31/67/87/387316787.db2.gz TYLJTAFTUMTHKM-JQWIXIFHSA-N 2 0 235.331 0.930 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000514936452 387316835 /nfs/dbraw/zinc/31/68/35/387316835.db2.gz TYLJTAFTUMTHKM-PWSUYJOCSA-N 2 0 235.331 0.930 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423374844 387254589 /nfs/dbraw/zinc/25/45/89/387254589.db2.gz TZJPVGXUNAJLLP-RHYQMDGZSA-N 2 0 211.353 0.844 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000572179164 387256911 /nfs/dbraw/zinc/25/69/11/387256911.db2.gz KHLFPLUKCONVKS-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H](CNC(=O)CC1(C[NH3+])CC1)[N@H+](C)C1CC1 ZINC000423375546 387257311 /nfs/dbraw/zinc/25/73/11/387257311.db2.gz KSIXVRYBRZKVJQ-JTQLQIEISA-N 2 0 239.363 0.714 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CCC[NH2+]CC2)CCC[NH2+]C1 ZINC000648119882 387260451 /nfs/dbraw/zinc/26/04/51/387260451.db2.gz BFZYXSOKNHLBBG-AAEUAGOBSA-N 2 0 239.363 0.634 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423377567 387260726 /nfs/dbraw/zinc/26/07/26/387260726.db2.gz YZHOHFGNCYJXIX-WUHRBBMRSA-N 2 0 225.380 0.914 20 0 BCADRP C[C@@]1(C(=O)N[C@@H]2CCC[NH2+]CC2)CCC[NH2+]1 ZINC000648119998 387264232 /nfs/dbraw/zinc/26/42/32/387264232.db2.gz IWGJEKMQMBVOKW-PWSUYJOCSA-N 2 0 225.336 0.387 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000645684830 387269389 /nfs/dbraw/zinc/26/93/89/387269389.db2.gz HXSZYMGTOBRFEL-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000645684962 387270648 /nfs/dbraw/zinc/27/06/48/387270648.db2.gz PARJQVVLACRSEW-GMXVVIOVSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000645684814 387270741 /nfs/dbraw/zinc/27/07/41/387270741.db2.gz HCSXGRKUJOKGLN-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP CN(C(=O)[C@]12C[C@H]1CC[NH2+]2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000423385899 387270840 /nfs/dbraw/zinc/27/08/40/387270840.db2.gz RJMZQJNAORTLFE-OSMZGAPFSA-N 2 0 249.358 0.434 20 0 BCADRP CC[NH2+][C@H](C)CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000423393903 387278249 /nfs/dbraw/zinc/27/82/49/387278249.db2.gz ROLDASGNJPYMMW-TUAOUCFPSA-N 2 0 213.369 0.962 20 0 BCADRP CC[NH2+]CCCN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000643498948 387278424 /nfs/dbraw/zinc/27/84/24/387278424.db2.gz ZSCLVFMNUXPRJV-NWDGAFQWSA-N 2 0 213.369 0.916 20 0 BCADRP CC[NH+](CC)CC(=O)NCCCC[NH+](C)C ZINC000353816694 387280812 /nfs/dbraw/zinc/28/08/12/387280812.db2.gz SAEUEPHXZVREJW-UHFFFAOYSA-N 2 0 229.368 0.786 20 0 BCADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423432080 387284801 /nfs/dbraw/zinc/28/48/01/387284801.db2.gz MEURTBLMZSSPIP-MEWQQHAOSA-N 2 0 239.363 0.441 20 0 BCADRP C[C@H]([NH3+])[C@H](C)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423438096 387287782 /nfs/dbraw/zinc/28/77/82/387287782.db2.gz GTKOIQLCEFAWHK-NAKRPEOUSA-N 2 0 211.353 0.937 20 0 BCADRP CC[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCCC[NH2+]1 ZINC000423438894 387288125 /nfs/dbraw/zinc/28/81/25/387288125.db2.gz VRCLPMOMYLQILF-FPYNETTCSA-N 2 0 223.364 0.715 20 0 BCADRP C1CC2(C1)[C@@H]1OCC[C@@H]1[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423437452 387288755 /nfs/dbraw/zinc/28/87/55/387288755.db2.gz QPIDGNBEBHVDEQ-BSKUUZOQSA-N 2 0 234.343 0.751 20 0 BCADRP CC[C@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000360468512 387291231 /nfs/dbraw/zinc/29/12/31/387291231.db2.gz WDBKDALHRCGODK-YPMHNXCESA-N 2 0 239.363 0.492 20 0 BCADRP C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000336463653 387293043 /nfs/dbraw/zinc/29/30/43/387293043.db2.gz IUDKZJZOLCROLU-QMMMGPOBSA-N 2 0 219.288 0.618 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H](C)C[NH3+])[C@H](C)[NH3+] ZINC000423444996 387294916 /nfs/dbraw/zinc/29/49/16/387294916.db2.gz BJOVOAUHKQJQGP-UTLUCORTSA-N 2 0 215.341 0.317 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000514857577 387297347 /nfs/dbraw/zinc/29/73/47/387297347.db2.gz YRHMSRIJYOYAIS-CMPLNLGQSA-N 2 0 239.363 0.442 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000372418793 387298091 /nfs/dbraw/zinc/29/80/91/387298091.db2.gz YNAMUCLKHMBLGM-QJPTWQEYSA-N 2 0 239.363 0.762 20 0 BCADRP CN(C(=O)[C@@H]1[NH2+]CC1(C)C)C1CC[NH+](C)CC1 ZINC000648110347 387298719 /nfs/dbraw/zinc/29/87/19/387298719.db2.gz ULPAMNNQXFAULD-NSHDSACASA-N 2 0 239.363 0.537 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000423530285 387359631 /nfs/dbraw/zinc/35/96/31/387359631.db2.gz YTHMCPWGTZDFCU-RWMBFGLXSA-N 2 0 241.379 0.295 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1NCCC[NH2+]C1CC1 ZINC000423533050 387360811 /nfs/dbraw/zinc/36/08/11/387360811.db2.gz WMQFHUKSALWMGR-CMPLNLGQSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1NCCC[NH2+]C1CC1 ZINC000423533051 387361887 /nfs/dbraw/zinc/36/18/87/387361887.db2.gz WMQFHUKSALWMGR-JQWIXIFHSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423536229 387362128 /nfs/dbraw/zinc/36/21/28/387362128.db2.gz HDQRYWGUCFOPTD-MWLCHTKSSA-N 2 0 227.352 0.748 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000373436587 387368988 /nfs/dbraw/zinc/36/89/88/387368988.db2.gz VPYIJVBYLCEIBE-CMPLNLGQSA-N 2 0 239.363 0.620 20 0 BCADRP O=C1OCC[C@H]2CCN(CCn3ccnc3)[C@H]12 ZINC000373449275 387373478 /nfs/dbraw/zinc/37/34/78/387373478.db2.gz UJGSZCCPSDJXNS-MNOVXSKESA-N 2 0 235.287 0.521 20 0 BCADRP C[C@H](NCCC[NH2+]C1CC1)[C@H]1CCC[NH2+]1 ZINC000423555955 387374994 /nfs/dbraw/zinc/37/49/94/387374994.db2.gz MEAROCJILNVBDF-CMPLNLGQSA-N 2 0 211.353 0.859 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000515402529 387377211 /nfs/dbraw/zinc/37/72/11/387377211.db2.gz XQAGXUPPGDFVKO-LBPRGKRZSA-N 2 0 227.352 0.633 20 0 BCADRP CC[C@H]1C(=O)NCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000396672020 387381944 /nfs/dbraw/zinc/38/19/44/387381944.db2.gz RTEUDFRQKHRXLM-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000423471371 387319885 /nfs/dbraw/zinc/31/98/85/387319885.db2.gz FDHWDAYJUPNAIK-BBBLOLIVSA-N 2 0 233.306 0.571 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000336498144 387322573 /nfs/dbraw/zinc/32/25/73/387322573.db2.gz LFENLKKDWXUNFD-NEPJUHHUSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1)C1CC1 ZINC000423477106 387325114 /nfs/dbraw/zinc/32/51/14/387325114.db2.gz LGDLDNJRWVGUIT-LBPRGKRZSA-N 2 0 244.298 0.801 20 0 BCADRP CC[NH+]1CCC(NC(=O)CC2(C[NH3+])CC2)CC1 ZINC000515056577 387327447 /nfs/dbraw/zinc/32/74/47/387327447.db2.gz CGNNQRQBCPRBES-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000423483815 387329936 /nfs/dbraw/zinc/32/99/36/387329936.db2.gz RRONOWMVPUMXDN-OUAUKWLOSA-N 2 0 247.333 0.913 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000423488414 387334271 /nfs/dbraw/zinc/33/42/71/387334271.db2.gz YWLMHGKIKKVPKW-LLVKDONJSA-N 2 0 248.330 0.615 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)[C@H](C)[NH3+] ZINC000423581281 387383083 /nfs/dbraw/zinc/38/30/83/387383083.db2.gz BVEPDLDKKSXMDC-HBNTYKKESA-N 2 0 227.352 0.474 20 0 BCADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)[C@H]1C[C@H]1C ZINC000423490850 387337066 /nfs/dbraw/zinc/33/70/66/387337066.db2.gz IQTVEXQFSUPROK-RHYQMDGZSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000373028085 387342000 /nfs/dbraw/zinc/34/20/00/387342000.db2.gz HZKLTHUXYXVSKW-UTUOFQBUSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000373066177 387344283 /nfs/dbraw/zinc/34/42/83/387344283.db2.gz OSZKGTYELDVWIQ-NNYUYHANSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H](NC[C@@H]1C[NH2+]CCN1C)[C@@H]1CCCC[NH2+]1 ZINC000423507085 387345399 /nfs/dbraw/zinc/34/53/99/387345399.db2.gz HPJYHWYXOZNWIF-AVGNSLFASA-N 2 0 240.395 0.010 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000572361902 387345763 /nfs/dbraw/zinc/34/57/63/387345763.db2.gz HZRHLLGECNMCDD-JQWIXIFHSA-N 2 0 241.379 0.674 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)CC1(C[NH3+])CC1 ZINC000423510216 387346017 /nfs/dbraw/zinc/34/60/17/387346017.db2.gz MHVKACRIYOVONF-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP CC[NH2+]CCCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000515220955 387346922 /nfs/dbraw/zinc/34/69/22/387346922.db2.gz KBQAQMWEDJACKD-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[NH2+]C ZINC000423781837 387425786 /nfs/dbraw/zinc/42/57/86/387425786.db2.gz YAVXCWFQFABDLM-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)CC[NH2+]C1CC1 ZINC000037611755 387426957 /nfs/dbraw/zinc/42/69/57/387426957.db2.gz HDZHWQOKYGWITL-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCCOCC[NH+](C)C ZINC000423788888 387427251 /nfs/dbraw/zinc/42/72/51/387427251.db2.gz DRQISNDMDKAMHN-LLVKDONJSA-N 2 0 245.367 0.069 20 0 BCADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000423802571 387430087 /nfs/dbraw/zinc/43/00/87/387430087.db2.gz OPGVFLHQJYPYPJ-VXGBXAGGSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000423820612 387431002 /nfs/dbraw/zinc/43/10/02/387431002.db2.gz PXKVFNIRGXBKEZ-GHMZBOCLSA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000423825096 387431301 /nfs/dbraw/zinc/43/13/01/387431301.db2.gz WYJHSIPILHLBRS-RYUDHWBXSA-N 2 0 239.363 0.570 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000423820613 387432633 /nfs/dbraw/zinc/43/26/33/387432633.db2.gz PXKVFNIRGXBKEZ-MNOVXSKESA-N 2 0 225.336 0.467 20 0 BCADRP C[NH+](C)CCC1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000361296095 387433824 /nfs/dbraw/zinc/43/38/24/387433824.db2.gz IRZGWYGIZJYGOF-OLZOCXBDSA-N 2 0 242.363 0.410 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423840443 387433979 /nfs/dbraw/zinc/43/39/79/387433979.db2.gz DZSSKZIKBDKREK-LLVKDONJSA-N 2 0 227.352 0.666 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)C[NH2+]CC1CC1 ZINC000423844113 387434157 /nfs/dbraw/zinc/43/41/57/387434157.db2.gz ISLKGOANZYKLAG-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423838219 387435279 /nfs/dbraw/zinc/43/52/79/387435279.db2.gz BQYCUXYCZVAAOU-SECBINFHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423856005 387437175 /nfs/dbraw/zinc/43/71/75/387437175.db2.gz XVQMHFXLSQNOJO-VIFPVBQESA-N 2 0 213.325 0.276 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000121975025 387443643 /nfs/dbraw/zinc/44/36/43/387443643.db2.gz QHNQAGVUQHROHU-VXGBXAGGSA-N 2 0 241.379 0.783 20 0 BCADRP C[NH+](C)CC1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000037826120 387449321 /nfs/dbraw/zinc/44/93/21/387449321.db2.gz WZAMYKHCNCJYMI-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000037826118 387449390 /nfs/dbraw/zinc/44/93/90/387449390.db2.gz YTHDYKPCFUJKRS-LLVKDONJSA-N 2 0 227.352 0.524 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)NCC2=CC[NH+](C)CC2)C1 ZINC000336616473 387457196 /nfs/dbraw/zinc/45/71/96/387457196.db2.gz HWNKDLJXYNDEJT-LBPRGKRZSA-N 2 0 237.347 0.316 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423974746 387459772 /nfs/dbraw/zinc/45/97/72/387459772.db2.gz LDFILNOEFPLSRH-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000373626266 387386233 /nfs/dbraw/zinc/38/62/33/387386233.db2.gz YPIGDOWKKOAILB-MFKMUULPSA-N 2 0 239.363 0.844 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)[C@@H](C)[NH3+] ZINC000423608865 387386467 /nfs/dbraw/zinc/38/64/67/387386467.db2.gz LUPBILIYUNQUAM-KKOKHZNYSA-N 2 0 241.379 0.863 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC000423627472 387388842 /nfs/dbraw/zinc/38/88/42/387388842.db2.gz IGMRUAWTZVGMQU-JTQLQIEISA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000423633908 387389248 /nfs/dbraw/zinc/38/92/48/387389248.db2.gz MGYHHZCOIODJCE-JFGNBEQYSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC000423626108 387390249 /nfs/dbraw/zinc/39/02/49/387390249.db2.gz GUHSSUFUHOMSLY-VIFPVBQESA-N 2 0 236.319 0.485 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)[NH+](C)C ZINC000423656170 387392152 /nfs/dbraw/zinc/39/21/52/387392152.db2.gz WLLPFVALYMUTSL-GARJFASQSA-N 2 0 227.352 0.521 20 0 BCADRP CCC[C@H](C(=O)N[C@H](C)[C@H](C)[NH3+])[NH+](C)C ZINC000423672537 387393604 /nfs/dbraw/zinc/39/36/04/387393604.db2.gz DXGFDVUGDCWNES-IVZWLZJFSA-N 2 0 215.341 0.569 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000423679131 387395062 /nfs/dbraw/zinc/39/50/62/387395062.db2.gz LPVIHGSMUTWXGF-RKDXNWHRSA-N 2 0 236.319 0.613 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000423679129 387395210 /nfs/dbraw/zinc/39/52/10/387395210.db2.gz LPVIHGSMUTWXGF-IUCAKERBSA-N 2 0 236.319 0.613 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H](C)[C@H](C)[NH3+])[C@@H](C)[NH3+] ZINC000423684146 387397871 /nfs/dbraw/zinc/39/78/71/387397871.db2.gz QXDCWMLKSCRJQX-JLIMGVALSA-N 2 0 215.341 0.458 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)C[NH+]1CCC(C)CC1 ZINC000423696908 387398373 /nfs/dbraw/zinc/39/83/73/387398373.db2.gz YFRDVZAGROFOGJ-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000373862777 387401237 /nfs/dbraw/zinc/40/12/37/387401237.db2.gz LULRIAPOEMAYBW-NTZNESFSSA-N 2 0 237.347 0.244 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000423744147 387407353 /nfs/dbraw/zinc/40/73/53/387407353.db2.gz NGGRKMYVJIYYSC-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)CC1CCCC1 ZINC000515649843 387413430 /nfs/dbraw/zinc/41/34/30/387413430.db2.gz BZXMEXFIXLDARR-VXGBXAGGSA-N 2 0 230.352 0.098 20 0 BCADRP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000515649841 387414287 /nfs/dbraw/zinc/41/42/87/387414287.db2.gz BZXMEXFIXLDARR-NWDGAFQWSA-N 2 0 230.352 0.098 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC[N@@H+]1C ZINC000648123957 387415437 /nfs/dbraw/zinc/41/54/37/387415437.db2.gz MSNCVYZLNSGHKO-IRCOFANPSA-N 2 0 239.363 0.441 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)C[NH3+] ZINC000423767080 387417650 /nfs/dbraw/zinc/41/76/50/387417650.db2.gz DFHOMABPLBNIIR-IJLUTSLNSA-N 2 0 239.363 0.666 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]([NH3+])COC ZINC000423766266 387418246 /nfs/dbraw/zinc/41/82/46/387418246.db2.gz CNONGOCYLJKMIJ-WDEREUQCSA-N 2 0 245.367 0.197 20 0 BCADRP CO[C@H](C)[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000361220316 387418474 /nfs/dbraw/zinc/41/84/74/387418474.db2.gz KINHRNPLTTUNIM-JHJVBQTASA-N 2 0 243.395 0.635 20 0 BCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000423771457 387420487 /nfs/dbraw/zinc/42/04/87/387420487.db2.gz INOYVBUXIONBEA-WOPDTQHZSA-N 2 0 241.379 0.768 20 0 BCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CCC[NH3+] ZINC000423771732 387420637 /nfs/dbraw/zinc/42/06/37/387420637.db2.gz IXNXMZCUDBJAEC-NSHDSACASA-N 2 0 227.352 0.524 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000423778011 387422877 /nfs/dbraw/zinc/42/28/77/387422877.db2.gz SHYPKSZCTXHWTL-NEPJUHHUSA-N 2 0 241.379 0.641 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000336597768 387422980 /nfs/dbraw/zinc/42/29/80/387422980.db2.gz WJLKHKNHEYFAEA-VXGBXAGGSA-N 2 0 237.347 0.435 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCN2CCC(O)CC2)C1 ZINC000321776528 387507742 /nfs/dbraw/zinc/50/77/42/387507742.db2.gz HBKSSVFNZUKXNL-VXGBXAGGSA-N 2 0 241.379 0.303 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375256299 387518706 /nfs/dbraw/zinc/51/87/06/387518706.db2.gz PALGKSOZYWYNSM-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH+](C)C ZINC000086270646 387520560 /nfs/dbraw/zinc/52/05/60/387520560.db2.gz DAZQSNHFXUPYQW-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000516968557 387521102 /nfs/dbraw/zinc/52/11/02/387521102.db2.gz GOZWKXJPGGLJRW-HBNTYKKESA-N 2 0 242.367 0.411 20 0 BCADRP CC(C)[NH2+]CCC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000520770925 387544181 /nfs/dbraw/zinc/54/41/81/387544181.db2.gz AHFOLKWTTFTNNN-GFCCVEGCSA-N 2 0 239.363 0.727 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CCC[NH2+]C ZINC000424017037 387466190 /nfs/dbraw/zinc/46/61/90/387466190.db2.gz FQGBLRFKPOEIAK-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP CC1CC[NH+](CC(=O)N(C)CC[NH3+])CC1 ZINC000424010161 387466286 /nfs/dbraw/zinc/46/62/86/387466286.db2.gz ZLEVNZKIQYJXIU-UHFFFAOYSA-N 2 0 213.325 0.135 20 0 BCADRP C[C@H](O)C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000361505572 387474033 /nfs/dbraw/zinc/47/40/33/387474033.db2.gz PZAQLGYUYKBQDI-WDEREUQCSA-N 2 0 200.326 0.783 20 0 BCADRP C[C@H](O)C[NH+](C)CCC[N@@H+](C)C[C@H](C)O ZINC000361515498 387475959 /nfs/dbraw/zinc/47/59/59/387475959.db2.gz XXTVCFLAYYEBCJ-QWRGUYRKSA-N 2 0 218.341 0.002 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000424075569 387477786 /nfs/dbraw/zinc/47/77/86/387477786.db2.gz JQTIJHPCVNZNHU-NWDGAFQWSA-N 2 0 239.363 0.762 20 0 BCADRP Cc1cnn(CC[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000304437644 387479665 /nfs/dbraw/zinc/47/96/65/387479665.db2.gz URNWZZSMETZMPP-VXGBXAGGSA-N 2 0 222.336 0.861 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])c1ccccc1 ZINC000424079675 387480547 /nfs/dbraw/zinc/48/05/47/387480547.db2.gz RMQKWTMUFPLOAW-VWYCJHECSA-N 2 0 219.288 0.150 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424078072 387481195 /nfs/dbraw/zinc/48/11/95/387481195.db2.gz PJOYQLDVKBKPIO-MNOVXSKESA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000643474570 387491780 /nfs/dbraw/zinc/49/17/80/387491780.db2.gz QEKDJEFPFMZLLK-UTUOFQBUSA-N 2 0 211.353 0.668 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000040831327 387584855 /nfs/dbraw/zinc/58/48/55/387584855.db2.gz XGRXEPLRDKFOKA-QWRGUYRKSA-N 2 0 229.368 0.816 20 0 BCADRP [NH3+]CC1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000238023764 387591598 /nfs/dbraw/zinc/59/15/98/387591598.db2.gz ZWKIIUNDQSKZDS-UHFFFAOYSA-N 2 0 239.363 0.845 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000238057629 387593425 /nfs/dbraw/zinc/59/34/25/387593425.db2.gz JGSZLKFNSGTABU-NSHDSACASA-N 2 0 239.363 0.845 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]([NH3+])C1CCC1 ZINC000422536219 387595530 /nfs/dbraw/zinc/59/55/30/387595530.db2.gz DUNOHBUFSSMIEP-VXGBXAGGSA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000422536211 387595606 /nfs/dbraw/zinc/59/56/06/387595606.db2.gz DUNOHBUFSSMIEP-NEPJUHHUSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)C[C@@H](C)[NH2+]1 ZINC000422545931 387596847 /nfs/dbraw/zinc/59/68/47/387596847.db2.gz YDHYEKYQPFFHJB-FXPVBKGRSA-N 2 0 225.336 0.323 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422545762 387597559 /nfs/dbraw/zinc/59/75/59/387597559.db2.gz XVIIIANAQISBSX-NAKRPEOUSA-N 2 0 227.352 0.556 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)N(C)CC[NH+](C)C ZINC000355968676 387600407 /nfs/dbraw/zinc/60/04/07/387600407.db2.gz JRHAKNIVWXNIIR-NSHDSACASA-N 2 0 244.383 0.530 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)NC(C)(C)CC[NH3+] ZINC000422600527 387603922 /nfs/dbraw/zinc/60/39/22/387603922.db2.gz UWZFQQDMAMQCQY-JTQLQIEISA-N 2 0 244.383 0.753 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NC(C)(C)CC[NH3+] ZINC000422611783 387607249 /nfs/dbraw/zinc/60/72/49/387607249.db2.gz SVBUBSQTJLMDBA-UHFFFAOYSA-N 2 0 244.383 0.931 20 0 BCADRP CCC[C@@H](C(=O)N1CCC[C@H]([NH3+])C1)[NH+](C)C ZINC000422682782 387611031 /nfs/dbraw/zinc/61/10/31/387611031.db2.gz BPHMCWYTPPZOLF-QWRGUYRKSA-N 2 0 227.352 0.666 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000422689571 387612961 /nfs/dbraw/zinc/61/29/61/387612961.db2.gz FKGQCQKGRKDJAY-DCAQKATOSA-N 2 0 227.352 0.556 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH3+])C1)[C@@H](C)[NH3+] ZINC000422689573 387612970 /nfs/dbraw/zinc/61/29/70/387612970.db2.gz FKGQCQKGRKDJAY-VWYCJHECSA-N 2 0 227.352 0.556 20 0 BCADRP C[N@H+](CCCN1CCOCC1)CC(C)(C)C[NH3+] ZINC000430595226 387629743 /nfs/dbraw/zinc/62/97/43/387629743.db2.gz HOAPHNUVDSDBEF-UHFFFAOYSA-N 2 0 243.395 0.625 20 0 BCADRP COCC[N@@H+]1CCC[C@@H]1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422712695 387626110 /nfs/dbraw/zinc/62/61/10/387626110.db2.gz ONTIPHKYGIMELX-RWMBFGLXSA-N 2 0 243.395 0.813 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN1CCOCC1(C)C ZINC000422712280 387626236 /nfs/dbraw/zinc/62/62/36/387626236.db2.gz NUMWMEXKYOPOJN-NWDGAFQWSA-N 2 0 243.395 0.813 20 0 BCADRP CC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000422038869 387545736 /nfs/dbraw/zinc/54/57/36/387545736.db2.gz QSDGLYUZQHBILJ-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP CN(Cc1cccs1)C[C@@H](O)C[NH3+] ZINC000035717297 387553367 /nfs/dbraw/zinc/55/33/67/387553367.db2.gz CWKCUZCCZBHCAQ-QMMMGPOBSA-N 2 0 200.307 0.500 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H](C)[NH+](C)C)[C@H](C)[NH3+] ZINC000399554380 387554698 /nfs/dbraw/zinc/55/46/98/387554698.db2.gz ASSUZFTUXRDIOI-VWYCJHECSA-N 2 0 229.368 0.672 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC[NH+](C(C)C)C(C)C ZINC000036871075 387558348 /nfs/dbraw/zinc/55/83/48/387558348.db2.gz XNVIVNSRTWWTGL-LLVKDONJSA-N 2 0 229.368 0.959 20 0 BCADRP Cn1nccc1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037648936 387564626 /nfs/dbraw/zinc/56/46/26/387564626.db2.gz YDNFVFFGYPJARW-LLVKDONJSA-N 2 0 234.347 0.994 20 0 BCADRP CC(C)[C@H](C(=O)NCCC[NH+](C)C)[C@@H](C)[NH3+] ZINC000399727221 387567369 /nfs/dbraw/zinc/56/73/69/387567369.db2.gz KTAFLHVJOPGAES-MNOVXSKESA-N 2 0 229.368 0.674 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@@H](C)C[NH+](C)C ZINC000355741506 387575368 /nfs/dbraw/zinc/57/53/68/387575368.db2.gz MIOZFNSKQAPWRP-LLVKDONJSA-N 2 0 229.368 0.642 20 0 BCADRP CC[N@H+](C)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422718187 387630996 /nfs/dbraw/zinc/63/09/96/387630996.db2.gz PGTNJPUUJBFXEP-VXGBXAGGSA-N 2 0 213.369 0.916 20 0 BCADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H](CCC[NH3+])COC ZINC000422718780 387631258 /nfs/dbraw/zinc/63/12/58/387631258.db2.gz XOHGBFOWLHPGCJ-SDDRHHMPSA-N 2 0 232.368 0.737 20 0 BCADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422719476 387633368 /nfs/dbraw/zinc/63/33/68/387633368.db2.gz YGAAFWSSAGWNIW-LNFKQOIKSA-N 2 0 200.326 0.863 20 0 BCADRP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000430644628 387636620 /nfs/dbraw/zinc/63/66/20/387636620.db2.gz ABIOHQZZUBQGHS-LLVKDONJSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000430699265 387640760 /nfs/dbraw/zinc/64/07/60/387640760.db2.gz YALMEVVMZUTMRD-WCBMZHEXSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)[NH+](C)C ZINC000422734821 387643263 /nfs/dbraw/zinc/64/32/63/387643263.db2.gz CZZGNRMMELYPSI-GRYCIOLGSA-N 2 0 213.369 0.914 20 0 BCADRP C[C@H](CNC(=O)C1([NH3+])CC1)[N@@H+]1CCCC[C@H]1C ZINC000430742261 387647256 /nfs/dbraw/zinc/64/72/56/387647256.db2.gz LESPMRXLXYXVSP-GHMZBOCLSA-N 2 0 239.363 0.857 20 0 BCADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000125253041 387648102 /nfs/dbraw/zinc/64/81/02/387648102.db2.gz DOQZBQIDZFEGDS-XQQFMLRXSA-N 2 0 234.347 0.979 20 0 BCADRP CN(C(=O)[C@@]1(F)CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000125276919 387649044 /nfs/dbraw/zinc/64/90/44/387649044.db2.gz BTTUEKIIXRTCBZ-GFCCVEGCSA-N 2 0 243.326 0.241 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@@H](C)C[NH2+]1 ZINC000356371891 387650012 /nfs/dbraw/zinc/65/00/12/387650012.db2.gz HHSCLEIEYKYYCB-LMLFDSFASA-N 2 0 225.336 0.323 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH2+]C)C[C@@H]1C ZINC000430796238 387651080 /nfs/dbraw/zinc/65/10/80/387651080.db2.gz KBFMNTYSUZPYOJ-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP CCC[C@H](C(=O)N[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000422746812 387651243 /nfs/dbraw/zinc/65/12/43/387651243.db2.gz OIVWZNUIRXRZAR-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH3+])C[C@H]1C ZINC000430795861 387651885 /nfs/dbraw/zinc/65/18/85/387651885.db2.gz IMXCEHWTVWYABR-GMTAPVOTSA-N 2 0 227.352 0.665 20 0 BCADRP C[C@@H]1C[C@@H](N(C)C(=O)CC[NH3+])CC[N@@H+]1C ZINC000430792118 387652674 /nfs/dbraw/zinc/65/26/74/387652674.db2.gz HCKXFQYXZJCXNL-ZJUUUORDSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@H](C[NH2+][C@H](C)CCC[NH3+])CN1CCOCC1 ZINC000422756098 387659099 /nfs/dbraw/zinc/65/90/99/387659099.db2.gz GFMSKJIOVOVJLH-CHWSQXEVSA-N 2 0 243.395 0.672 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430899585 387659574 /nfs/dbraw/zinc/65/95/74/387659574.db2.gz MECWOTGCYAKNGR-KOLCDFICSA-N 2 0 225.336 0.419 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000422758175 387660424 /nfs/dbraw/zinc/66/04/24/387660424.db2.gz NPYYBIWORGQOPP-WOPDTQHZSA-N 2 0 211.353 0.940 20 0 BCADRP C[C@@H](C[NH3+])N(C)CCC(=O)NC1CCCC1 ZINC000430970213 387665071 /nfs/dbraw/zinc/66/50/71/387665071.db2.gz GNGPAJYTVYKOHH-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CCCCNC(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430968668 387666481 /nfs/dbraw/zinc/66/64/81/387666481.db2.gz ATTUKYNWUPOYQR-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424137770 387667272 /nfs/dbraw/zinc/66/72/72/387667272.db2.gz SMTQZIZDAOCPDS-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP Cc1cncn1CC(=O)N(C)Cc1nccn1C ZINC000527706819 387667561 /nfs/dbraw/zinc/66/75/61/387667561.db2.gz ZWTYZSRDLQDYTO-UHFFFAOYSA-N 2 0 247.302 0.584 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])[C@H](C)C1 ZINC000424137958 387667791 /nfs/dbraw/zinc/66/77/91/387667791.db2.gz CQJOTKRCHNQRGG-WISYIIOYSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](C)CN1CCOCC1 ZINC000422769080 387668162 /nfs/dbraw/zinc/66/81/62/387668162.db2.gz SQOXGHWFWHRXES-RWMBFGLXSA-N 2 0 243.395 0.670 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000431023861 387670051 /nfs/dbraw/zinc/67/00/51/387670051.db2.gz JHTUYAPGDSKJPT-ZMLRMANQSA-N 2 0 237.347 0.337 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000431022917 387671306 /nfs/dbraw/zinc/67/13/06/387671306.db2.gz FXJAPMRBBGQPIO-JBLDHEPKSA-N 2 0 239.363 0.441 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000431022918 387671415 /nfs/dbraw/zinc/67/14/15/387671415.db2.gz FXJAPMRBBGQPIO-NHCYSSNCSA-N 2 0 239.363 0.441 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCC[NH3+] ZINC000431023872 387671588 /nfs/dbraw/zinc/67/15/88/387671588.db2.gz JIKYCUZHMPWJJC-MWLCHTKSSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])C1 ZINC000422775601 387672027 /nfs/dbraw/zinc/67/20/27/387672027.db2.gz CATOLPOTYORZGJ-UTUOFQBUSA-N 2 0 241.379 0.816 20 0 BCADRP CCCNC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431036639 387672561 /nfs/dbraw/zinc/67/25/61/387672561.db2.gz GOSRQZAANJMBBR-UHFFFAOYSA-N 2 0 239.363 0.588 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000431061288 387674731 /nfs/dbraw/zinc/67/47/31/387674731.db2.gz JVLVJJZMYIBXPC-NWDGAFQWSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C[NH3+])C1 ZINC000431062283 387675182 /nfs/dbraw/zinc/67/51/82/387675182.db2.gz OWVPERCRURIVJY-AAEUAGOBSA-N 2 0 247.342 0.897 20 0 BCADRP CCOC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000044425326 387679073 /nfs/dbraw/zinc/67/90/73/387679073.db2.gz KKRBCXFSHOBIAG-VXGBXAGGSA-N 2 0 230.352 0.458 20 0 BCADRP CCOC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000044425322 387679427 /nfs/dbraw/zinc/67/94/27/387679427.db2.gz KKRBCXFSHOBIAG-NEPJUHHUSA-N 2 0 230.352 0.458 20 0 BCADRP CCOC[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000044425324 387680185 /nfs/dbraw/zinc/68/01/85/387680185.db2.gz KKRBCXFSHOBIAG-RYUDHWBXSA-N 2 0 230.352 0.458 20 0 BCADRP CC1CC[NH+](CC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000422784832 387683139 /nfs/dbraw/zinc/68/31/39/387683139.db2.gz MKXHLVSDMPRAOP-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](C(N)=O)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123331086 387683758 /nfs/dbraw/zinc/68/37/58/387683758.db2.gz JZJHCOOHEDULQO-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP COCCC[N@H+](C)CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422786547 387687336 /nfs/dbraw/zinc/68/73/36/387687336.db2.gz SMAFJRYAVKQAPL-CHWSQXEVSA-N 2 0 243.395 0.542 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@@H]1[NH3+] ZINC000422876878 387756140 /nfs/dbraw/zinc/75/61/40/387756140.db2.gz QVUUYRYAZREPTG-MGAJPHDKSA-N 2 0 223.364 0.939 20 0 BCADRP C[C@@H](NCC[N@@H+]1CCC[C@@H](C)C1)C1C[NH2+]C1 ZINC000422862209 387743287 /nfs/dbraw/zinc/74/32/87/387743287.db2.gz PISMDUHMYFMUJG-VXGBXAGGSA-N 2 0 225.380 0.916 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000377739765 387745467 /nfs/dbraw/zinc/74/54/67/387745467.db2.gz BPQSCDIRBPWXKG-NEPJUHHUSA-N 2 0 241.379 0.688 20 0 BCADRP CC1CC[NH+](CC(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000422865271 387747651 /nfs/dbraw/zinc/74/76/51/387747651.db2.gz XMERCTKAHLHPDQ-GFCCVEGCSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000377806210 387750083 /nfs/dbraw/zinc/75/00/83/387750083.db2.gz CIIHRSYCWNRMKN-VHSXEESVSA-N 2 0 227.352 0.474 20 0 BCADRP CO[C@H](C)[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000128631088 387751643 /nfs/dbraw/zinc/75/16/43/387751643.db2.gz PYYCLVQBMZRGAP-CHWSQXEVSA-N 2 0 243.395 0.637 20 0 BCADRP CC[N@H+](CCN[C@H]1CCC[C@@H]1[NH3+])C1CC1 ZINC000422875912 387751693 /nfs/dbraw/zinc/75/16/93/387751693.db2.gz DKYISKXJWZSAJT-RYUDHWBXSA-N 2 0 211.353 0.940 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000377167765 387697668 /nfs/dbraw/zinc/69/76/68/387697668.db2.gz NPXHSESPTIWDKQ-SECBINFHSA-N 2 0 225.336 0.324 20 0 BCADRP CCC[C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000422804704 387702341 /nfs/dbraw/zinc/70/23/41/387702341.db2.gz KXZXPJHMEDRFNC-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000377346118 387710209 /nfs/dbraw/zinc/71/02/09/387710209.db2.gz ONHCLKRDISVZSR-CABZTGNLSA-N 2 0 243.326 0.287 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000377389802 387713399 /nfs/dbraw/zinc/71/33/99/387713399.db2.gz IIINHDFFTWJERE-GMXVVIOVSA-N 2 0 237.347 0.326 20 0 BCADRP CC(C[NH+](C)CCCO)C[N@H+](C)CCCO ZINC000440946161 387713499 /nfs/dbraw/zinc/71/34/99/387713499.db2.gz FDRXBLGLCXAIJY-UHFFFAOYSA-N 2 0 232.368 0.251 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[C@@H](C)[NH3+] ZINC000422815409 387713871 /nfs/dbraw/zinc/71/38/71/387713871.db2.gz BMSARJWCPROCHC-DDHJBXDOSA-N 2 0 241.379 0.815 20 0 BCADRP CC[C@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])[NH+](C)C ZINC000629614020 387714443 /nfs/dbraw/zinc/71/44/43/387714443.db2.gz VIRGNPIUAPLSMK-XHNCKOQMSA-N 2 0 201.314 0.179 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000422815000 387714367 /nfs/dbraw/zinc/71/43/67/387714367.db2.gz WUTCFJWZRLLLOV-WDEREUQCSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H]([NH2+]CCCO[C@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000422876571 387755412 /nfs/dbraw/zinc/75/54/12/387755412.db2.gz QLDNVIZGQOXDBM-AGIUHOORSA-N 2 0 242.363 0.912 20 0 BCADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC000356806192 387724838 /nfs/dbraw/zinc/72/48/38/387724838.db2.gz MNKUVUROOVUGTD-VXGBXAGGSA-N 2 0 241.379 0.926 20 0 BCADRP CCC[C@@H](C(=O)NC[C@@H](C)C[NH2+]C)[NH+](C)C ZINC000422832752 387726470 /nfs/dbraw/zinc/72/64/70/387726470.db2.gz VNLROTGQJGVOEP-QWRGUYRKSA-N 2 0 229.368 0.688 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367617560 387734816 /nfs/dbraw/zinc/73/48/16/387734816.db2.gz QPEUVYMFDYCPGN-WUHRBBMRSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000422848606 387734991 /nfs/dbraw/zinc/73/49/91/387734991.db2.gz AXYINMFMNVBZLU-GMTAPVOTSA-N 2 0 209.337 0.563 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@@H]([NH3+])C(C)C)[C@H](C)[NH3+] ZINC000422845934 387735847 /nfs/dbraw/zinc/73/58/47/387735847.db2.gz DFBBIMVPRWVNFD-HBNTYKKESA-N 2 0 229.368 0.705 20 0 BCADRP C[C@@H](NCC[NH+]1CCC(C)CC1)C1C[NH2+]C1 ZINC000422855849 387737514 /nfs/dbraw/zinc/73/75/14/387737514.db2.gz FLNFODRWXPVZFY-GFCCVEGCSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@H]1[NH3+] ZINC000422876877 387756121 /nfs/dbraw/zinc/75/61/21/387756121.db2.gz QVUUYRYAZREPTG-JHEVNIALSA-N 2 0 223.364 0.939 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000129188840 387764391 /nfs/dbraw/zinc/76/43/91/387764391.db2.gz FCBNUSGAMKPGOA-ZJUUUORDSA-N 2 0 227.352 0.298 20 0 BCADRP COCCN(C)CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422912881 387770561 /nfs/dbraw/zinc/77/05/61/387770561.db2.gz XFUKMAGYOADBTD-QWHCGFSZSA-N 2 0 243.395 0.814 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000441599597 387771596 /nfs/dbraw/zinc/77/15/96/387771596.db2.gz OYUDLYLSSGSYLK-CMPLNLGQSA-N 2 0 235.331 0.788 20 0 BCADRP COCCN(C)CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422912882 387772003 /nfs/dbraw/zinc/77/20/03/387772003.db2.gz XFUKMAGYOADBTD-STQMWFEESA-N 2 0 243.395 0.814 20 0 BCADRP Cc1cccc(NCC[NH2+][C@@H](C)C2C[NH2+]C2)n1 ZINC000422920372 387775607 /nfs/dbraw/zinc/77/56/07/387775607.db2.gz MPPVQCMPFPVMGR-NSHDSACASA-N 2 0 234.347 0.999 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424147501 387781858 /nfs/dbraw/zinc/78/18/58/387781858.db2.gz RHSKWGZVOTWLLL-MXWKQRLJSA-N 2 0 225.336 0.276 20 0 BCADRP C[NH2+]CCC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000309507372 387812602 /nfs/dbraw/zinc/81/26/02/387812602.db2.gz WHIKANKZJYMUHM-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@@H](O)[C@@H]2CCCO2)CC1 ZINC000527949196 387782667 /nfs/dbraw/zinc/78/26/67/387782667.db2.gz FYQFUQMHKBUTOO-OLZOCXBDSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)[C@@H]2CCCO2)CC[N@@H+]1C ZINC000527958147 387784914 /nfs/dbraw/zinc/78/49/14/387784914.db2.gz UZGDUKBZNPFVMZ-LPWJVIDDSA-N 2 0 242.363 0.599 20 0 BCADRP CC(C)COC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422978406 387789314 /nfs/dbraw/zinc/78/93/14/387789314.db2.gz ZJQPCHWYWRBXPX-JHJVBQTASA-N 2 0 244.379 0.737 20 0 BCADRP CC[C@H]([NH2+]C[C@](C)(O)CCOC)[C@@H]1CCC[NH2+]1 ZINC000422982445 387793533 /nfs/dbraw/zinc/79/35/33/387793533.db2.gz WUILKFMGFPZRCS-RWMBFGLXSA-N 2 0 244.379 0.894 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193639510 387798611 /nfs/dbraw/zinc/79/86/11/387798611.db2.gz NACZGKGFOFYYJN-DBIOUOCHSA-N 2 0 227.352 0.617 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[NH+](C)C ZINC000432534031 387800654 /nfs/dbraw/zinc/80/06/54/387800654.db2.gz BNSAPEQLJIOMHQ-TUAOUCFPSA-N 2 0 241.379 0.687 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)NCC[NH3+] ZINC000418301708 387804972 /nfs/dbraw/zinc/80/49/72/387804972.db2.gz ZCNIVUAHMCNZRP-VIFPVBQESA-N 2 0 228.340 0.023 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CO)[C@H](C)C1 ZINC000151174599 387806382 /nfs/dbraw/zinc/80/63/82/387806382.db2.gz BYPJZLPKGFKBCN-MXWKQRLJSA-N 2 0 200.326 0.687 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442616681 387808639 /nfs/dbraw/zinc/80/86/39/387808639.db2.gz BTRPSDGMPZTMRT-GHMZBOCLSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000309493187 387809354 /nfs/dbraw/zinc/80/93/54/387809354.db2.gz SQNWTOWUTTXISF-OPRDCNLKSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422971118 387821015 /nfs/dbraw/zinc/82/10/15/387821015.db2.gz HXHAOVWFPPWLGW-UPJWGTAASA-N 2 0 241.379 0.173 20 0 BCADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H](C)CO ZINC000422972998 387821584 /nfs/dbraw/zinc/82/15/84/387821584.db2.gz NKOHLSXJTRPROM-WZRBSPASSA-N 2 0 222.332 0.915 20 0 BCADRP C[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000422971120 387821992 /nfs/dbraw/zinc/82/19/92/387821992.db2.gz HXHAOVWFPPWLGW-YNEHKIRRSA-N 2 0 241.379 0.173 20 0 BCADRP CC(C)[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422975784 387827147 /nfs/dbraw/zinc/82/71/47/387827147.db2.gz HGYYRCZODYCSJJ-OUAUKWLOSA-N 2 0 200.326 0.863 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CC2COC2)[C@@H](C)C1 ZINC000528023091 387828673 /nfs/dbraw/zinc/82/86/73/387828673.db2.gz DIKCUNGSEGAYKB-JQWIXIFHSA-N 2 0 212.337 0.953 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)NCC[NH2+]C ZINC000418323259 387829291 /nfs/dbraw/zinc/82/92/91/387829291.db2.gz FXNZHUQIUYCSFP-UHFFFAOYSA-N 2 0 230.356 0.189 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000423008751 387830769 /nfs/dbraw/zinc/83/07/69/387830769.db2.gz UMZKTGMIJSGXFM-QJPTWQEYSA-N 2 0 244.404 0.962 20 0 BCADRP CNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000643479056 387835065 /nfs/dbraw/zinc/83/50/65/387835065.db2.gz YNOVORMYFJUSQL-DCAQKATOSA-N 2 0 229.368 0.863 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000070502769 387840761 /nfs/dbraw/zinc/84/07/61/387840761.db2.gz JQUFIXBPFBQGJB-MNOVXSKESA-N 2 0 225.336 0.326 20 0 BCADRP C[NH+](C)CCOCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000423072649 387873681 /nfs/dbraw/zinc/87/36/81/387873681.db2.gz QANFBUPJEUHGIJ-UHFFFAOYSA-N 3 0 243.395 0.672 20 0 BCADRP CC(C)C(=O)NCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423017832 387840977 /nfs/dbraw/zinc/84/09/77/387840977.db2.gz XFFMZDHTNSSKON-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCCN1CCOCC1 ZINC000442789397 387841221 /nfs/dbraw/zinc/84/12/21/387841221.db2.gz ZDJJHNMMPUEHIM-QWHCGFSZSA-N 2 0 241.379 0.378 20 0 BCADRP CC[C@@H]([NH2+]CC[C@@H](O)COC)[C@@H]1CCC[NH2+]1 ZINC000423024749 387843803 /nfs/dbraw/zinc/84/38/03/387843803.db2.gz MLQXBXWMZAIDQS-UTUOFQBUSA-N 2 0 230.352 0.504 20 0 BCADRP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(=O)[nH]1 ZINC000423026106 387844072 /nfs/dbraw/zinc/84/40/72/387844072.db2.gz ALTCIUBREJFWKF-GXSJLCMTSA-N 2 0 236.319 0.708 20 0 BCADRP C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423031675 387846036 /nfs/dbraw/zinc/84/60/36/387846036.db2.gz XNCIJNSMXMPAOG-MDZLAQPJSA-N 2 0 222.332 0.915 20 0 BCADRP [NH3+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424163408 387846409 /nfs/dbraw/zinc/84/64/09/387846409.db2.gz DSOMPUOANDLADX-NEPJUHHUSA-N 2 0 239.363 0.701 20 0 BCADRP [NH3+]CCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424163577 387847101 /nfs/dbraw/zinc/84/71/01/387847101.db2.gz VNCPOMBEEZKQKW-OLZOCXBDSA-N 2 0 247.342 0.711 20 0 BCADRP C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423031676 387847224 /nfs/dbraw/zinc/84/72/24/387847224.db2.gz XNCIJNSMXMPAOG-NQBHXWOUSA-N 2 0 222.332 0.915 20 0 BCADRP CC[C@@H](NCCOCC[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000423072856 387873853 /nfs/dbraw/zinc/87/38/53/387873853.db2.gz QDVUCOOEBUHNII-OLZOCXBDSA-N 2 0 243.395 0.685 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCn1ccnn1 ZINC000423031992 387849124 /nfs/dbraw/zinc/84/91/24/387849124.db2.gz LYYUMAIDUKATLI-VXGBXAGGSA-N 2 0 237.351 0.918 20 0 BCADRP CCn1ccnc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193630827 387858671 /nfs/dbraw/zinc/85/86/71/387858671.db2.gz RHLYVFXDLIMFLK-TXEJJXNPSA-N 2 0 234.347 0.896 20 0 BCADRP C[N@H+]1C[C@H]2CN(CC(=O)N3CCCC3)C[C@H]2C1 ZINC000193639004 387859549 /nfs/dbraw/zinc/85/95/49/387859549.db2.gz BSTVEVWAOOTFCD-TXEJJXNPSA-N 2 0 237.347 0.102 20 0 BCADRP C[NH+](C)C1(CN[C@H]2CCC[C@@H]2[NH3+])CCC1 ZINC000423057673 387864382 /nfs/dbraw/zinc/86/43/82/387864382.db2.gz HVQDPAMVTMEUKK-QWRGUYRKSA-N 2 0 211.353 0.940 20 0 BCADRP CC[C@@H](CO)[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423058339 387864543 /nfs/dbraw/zinc/86/45/43/387864543.db2.gz JKQNAEWUIIHKES-OUAUKWLOSA-N 2 0 200.326 0.735 20 0 BCADRP CC[C@@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423061680 387866987 /nfs/dbraw/zinc/86/69/87/387866987.db2.gz RFFLBBIVOOOXFZ-YVNMAJEFSA-N 2 0 200.326 0.864 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000433123170 387866982 /nfs/dbraw/zinc/86/69/82/387866982.db2.gz UDFMVZDZOIXYEP-UTUOFQBUSA-N 2 0 241.379 0.803 20 0 BCADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCCC2)CC1 ZINC000433136982 387868880 /nfs/dbraw/zinc/86/88/80/387868880.db2.gz RSRZTCJQKFTWGW-UHFFFAOYSA-N 2 0 239.363 0.812 20 0 BCADRP C[C@@H]1CC[C@H](C[N@@H+]2CCCO[C@H](C[NH3+])C2)O1 ZINC000313335802 387871016 /nfs/dbraw/zinc/87/10/16/387871016.db2.gz BSVHGJTVEPWUPX-IJLUTSLNSA-N 2 0 228.336 0.604 20 0 BCADRP C[C@@H]1CC[C@@H](C[N@@H+]2CCCO[C@@H](C[NH3+])C2)O1 ZINC000313335807 387871091 /nfs/dbraw/zinc/87/10/91/387871091.db2.gz BSVHGJTVEPWUPX-WOPDTQHZSA-N 2 0 228.336 0.604 20 0 BCADRP C[C@H](N)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000442659115 387814580 /nfs/dbraw/zinc/81/45/80/387814580.db2.gz KIFSBHQEBKEIOP-RYUDHWBXSA-N 2 0 243.395 0.358 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)c1c[nH]nc1C ZINC000629529885 387872725 /nfs/dbraw/zinc/87/27/25/387872725.db2.gz PHKJLINBDRJONV-SECBINFHSA-N 2 0 226.324 0.605 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[N@H+]1CC=CCC1 ZINC000392920132 387815719 /nfs/dbraw/zinc/81/57/19/387815719.db2.gz JGEMSQDTPUVQTA-WDEREUQCSA-N 2 0 225.336 0.348 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000564065222 387817370 /nfs/dbraw/zinc/81/73/70/387817370.db2.gz UPTIDWIRNDDBPC-ZMLRMANQSA-N 2 0 239.363 0.618 20 0 BCADRP CC[NH2+]CCNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418317962 387819529 /nfs/dbraw/zinc/81/95/29/387819529.db2.gz OJWQFKBSCLUFJJ-SNVBAGLBSA-N 2 0 228.340 0.037 20 0 BCADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423113621 387897076 /nfs/dbraw/zinc/89/70/76/387897076.db2.gz URDDIACRLQAHNO-HBNTYKKESA-N 2 0 200.326 0.720 20 0 BCADRP CC(C)CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433167508 387875389 /nfs/dbraw/zinc/87/53/89/387875389.db2.gz NSUFGYAVPWTFIR-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@H](NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000643538226 387877377 /nfs/dbraw/zinc/87/73/77/387877377.db2.gz BWCWPKMHJBVJDL-BJDJZHNGSA-N 2 0 229.343 0.807 20 0 BCADRP C[C@H](NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000643538347 387877641 /nfs/dbraw/zinc/87/76/41/387877641.db2.gz HHDPYVKDSARGCW-XWLWVQCSSA-N 2 0 215.316 0.417 20 0 BCADRP C[C@H](NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000643538248 387878017 /nfs/dbraw/zinc/87/80/17/387878017.db2.gz CIKDSYBYQAVNON-BJDJZHNGSA-N 2 0 229.343 0.807 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538322 387878419 /nfs/dbraw/zinc/87/84/19/387878419.db2.gz GWFKRSVDNAXBAV-NAKRPEOUSA-N 2 0 215.316 0.403 20 0 BCADRP CC[NH+](CC)[C@H](C)CN[C@@H](C)C1C[NH2+]C1 ZINC000423085186 387878641 /nfs/dbraw/zinc/87/86/41/387878641.db2.gz JYOLEDNUTFXUIH-MNOVXSKESA-N 2 0 213.369 0.914 20 0 BCADRP CC[C@@H]1CN(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])CCO1 ZINC000423086208 387879874 /nfs/dbraw/zinc/87/98/74/387879874.db2.gz LQHQNGCYGKSGKM-AGIUHOORSA-N 2 0 241.379 0.567 20 0 BCADRP Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c(=O)n1C ZINC000423086561 387880789 /nfs/dbraw/zinc/88/07/89/387880789.db2.gz MDHNMPVKEBBUBO-YPMHNXCESA-N 2 0 249.358 0.911 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000423116661 387899514 /nfs/dbraw/zinc/89/95/14/387899514.db2.gz QXOBSBBEGDVMIN-BJDJZHNGSA-N 2 0 239.363 0.855 20 0 BCADRP CC(C)[N@@H+](C)C[C@H](C)N[C@H](C)C1C[NH2+]C1 ZINC000423123105 387903337 /nfs/dbraw/zinc/90/33/37/387903337.db2.gz MATQISLUGOKDNN-WDEREUQCSA-N 2 0 213.369 0.913 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)CCC[NH3+] ZINC000514671795 387919357 /nfs/dbraw/zinc/91/93/57/387919357.db2.gz FXCDCEQUZJCNBG-AEJSXWLSSA-N 2 0 215.341 0.603 20 0 BCADRP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nc1 ZINC000077403795 387908604 /nfs/dbraw/zinc/90/86/04/387908604.db2.gz GCNVGYZWPAXRAC-CQSZACIVSA-N 2 0 246.358 0.561 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000195221463 387911343 /nfs/dbraw/zinc/91/13/43/387911343.db2.gz KFRCXVRAYFDZIQ-WYUUTHIRSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418343714 387914410 /nfs/dbraw/zinc/91/44/10/387914410.db2.gz APJQYTDMTIKSEQ-AXFHLTTASA-N 2 0 240.351 0.260 20 0 BCADRP CC(C)([NH3+])CNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418345213 387916823 /nfs/dbraw/zinc/91/68/23/387916823.db2.gz LGYMRZSRWLUGQB-SNVBAGLBSA-N 2 0 242.367 0.413 20 0 BCADRP C[C@]1(CNC(=O)N[C@H]2CC[NH2+]C2)CCC[NH2+]C1 ZINC000418346774 387917344 /nfs/dbraw/zinc/91/73/44/387917344.db2.gz CTDPZLKURYEAOM-JQWIXIFHSA-N 2 0 240.351 0.037 20 0 BCADRP O=C(CC1CC[NH2+]CC1)NCC[NH2+]C1CC1 ZINC000238137818 387930421 /nfs/dbraw/zinc/93/04/21/387930421.db2.gz NEPQGJDUBQVDHN-UHFFFAOYSA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+]CC1(C(=O)N[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000238008613 387930913 /nfs/dbraw/zinc/93/09/13/387930913.db2.gz SEDTWISQNZIGHS-SNVBAGLBSA-N 2 0 225.336 0.374 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC[NH2+]1 ZINC000424218928 387936409 /nfs/dbraw/zinc/93/64/09/387936409.db2.gz YDSDKTMGBKJHNM-NNYUYHANSA-N 2 0 239.363 0.761 20 0 BCADRP CCN1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000423146501 387922986 /nfs/dbraw/zinc/92/29/86/387922986.db2.gz AOPDOHLXOQARBB-AYLPWXGPSA-N 2 0 237.347 0.480 20 0 BCADRP CCC[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)OC ZINC000423147635 387925206 /nfs/dbraw/zinc/92/52/06/387925206.db2.gz SLUWTVYPUMNGHQ-ONGXEEELSA-N 2 0 200.326 0.999 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423147594 387925959 /nfs/dbraw/zinc/92/59/59/387925959.db2.gz DAVDOMCELHXEIT-XQHKEYJVSA-N 2 0 241.379 0.565 20 0 BCADRP C[C@H]1CN(C(=O)CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC000237576618 387926799 /nfs/dbraw/zinc/92/67/99/387926799.db2.gz RAVJGWHPFHRLPU-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])C(=O)NC ZINC000423167613 387952265 /nfs/dbraw/zinc/95/22/65/387952265.db2.gz SPVPMYMPEFHELY-VWYCJHECSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1CC2(C[N@@H+]1CCOCC[NH3+])CC[NH2+]CC2 ZINC000424284607 387952745 /nfs/dbraw/zinc/95/27/45/387952745.db2.gz DHOJYCUAEIGPIO-GFCCVEGCSA-N 3 0 241.379 0.426 20 0 BCADRP CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423158303 387938613 /nfs/dbraw/zinc/93/86/13/387938613.db2.gz NXOHJXNYLMOKNG-FDYHWXHSSA-N 2 0 242.363 0.768 20 0 BCADRP CC[C@H](C(=O)NCC1([NH+](C)C)CCC1)[NH+](C)C ZINC000438522406 387941580 /nfs/dbraw/zinc/94/15/80/387941580.db2.gz CZVBKZHQVGHUMI-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCNc1cc[nH+]cc1 ZINC000645642548 387948025 /nfs/dbraw/zinc/94/80/25/387948025.db2.gz JDDYMDRDDUVMJF-UWVGGRQHSA-N 2 0 236.319 0.015 20 0 BCADRP [NH3+]C[C@@H](CN1CC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000424275404 387948788 /nfs/dbraw/zinc/94/87/88/387948788.db2.gz XBWFPUVTLLRXPJ-AAEUAGOBSA-N 2 0 237.322 0.901 20 0 BCADRP OCC[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156386281 387965277 /nfs/dbraw/zinc/96/52/77/387965277.db2.gz XLGCSEPYNSGVHR-NSHDSACASA-N 2 0 208.261 0.527 20 0 BCADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)C(C)(C)C ZINC000423200828 387987607 /nfs/dbraw/zinc/98/76/07/387987607.db2.gz GPHBUMSNFSLNMX-NSHDSACASA-N 2 0 213.369 0.916 20 0 BCADRP CC(C)C1CC([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000423203422 387989041 /nfs/dbraw/zinc/98/90/41/387989041.db2.gz MOYZKUYJPOIUNO-UHFFFAOYSA-N 2 0 225.380 0.916 20 0 BCADRP CN1CC[C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)CC1=O ZINC000424368327 387992391 /nfs/dbraw/zinc/99/23/91/387992391.db2.gz BACQURBKCCEIQS-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CN1CC[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)CC1=O ZINC000424368330 387992674 /nfs/dbraw/zinc/99/26/74/387992674.db2.gz BACQURBKCCEIQS-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)[C@@H]1CC1(C)C ZINC000423209757 387993787 /nfs/dbraw/zinc/99/37/87/387993787.db2.gz VMCFJICHTUBGAU-RYUDHWBXSA-N 2 0 225.380 0.916 20 0 BCADRP CC[C@H](N[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423196589 387982683 /nfs/dbraw/zinc/98/26/83/387982683.db2.gz VQEPEDXIUFKBTK-SRVKXCTJSA-N 2 0 211.353 0.859 20 0 BCADRP COCCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424374875 387999387 /nfs/dbraw/zinc/99/93/87/387999387.db2.gz LYEXGEKBZIJZMR-JHJVBQTASA-N 2 0 241.379 0.567 20 0 BCADRP C[C@H]([NH3+])CCN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423222219 388001133 /nfs/dbraw/zinc/00/11/33/388001133.db2.gz AGGZSVGZUHACJC-DCAQKATOSA-N 2 0 211.353 0.939 20 0 BCADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C2)[C@H]1C ZINC000423219963 388002570 /nfs/dbraw/zinc/00/25/70/388002570.db2.gz XDIDNJGTCLNWHS-BJDJZHNGSA-N 2 0 240.347 0.916 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080993050 388005751 /nfs/dbraw/zinc/00/57/51/388005751.db2.gz HZLZEXAZCVIGPF-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645889490 388006869 /nfs/dbraw/zinc/00/68/69/388006869.db2.gz LLHKRUSUVVLDEE-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000156617276 388011296 /nfs/dbraw/zinc/01/12/96/388011296.db2.gz WEVZKWFKILNGDC-NEPJUHHUSA-N 2 0 241.379 0.912 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CC[NH2+]C1 ZINC000446285826 388011766 /nfs/dbraw/zinc/01/17/66/388011766.db2.gz YICSXTPPLUNQRY-SRVKXCTJSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC[N@@H+]1C ZINC000446369194 388017086 /nfs/dbraw/zinc/01/70/86/388017086.db2.gz LMWJXAJYGOEMGQ-LMLFDSFASA-N 2 0 243.326 0.285 20 0 BCADRP C[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000082256337 388019939 /nfs/dbraw/zinc/01/99/39/388019939.db2.gz JDKXVZJHAHBPJH-SNVBAGLBSA-N 2 0 225.336 0.339 20 0 BCADRP CC[NH2+]CCN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423236369 388020009 /nfs/dbraw/zinc/02/00/09/388020009.db2.gz CBKAAUYOHOZEAO-GHMZBOCLSA-N 2 0 211.353 0.811 20 0 BCADRP CC[NH2+]CCN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423236370 388020015 /nfs/dbraw/zinc/02/00/15/388020015.db2.gz CBKAAUYOHOZEAO-MNOVXSKESA-N 2 0 211.353 0.811 20 0 BCADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423248757 388032281 /nfs/dbraw/zinc/03/22/81/388032281.db2.gz NSOBSFVEBKUXGH-IJLUTSLNSA-N 3 0 211.353 0.716 20 0 BCADRP C[C@@H]1[C@H](C(=O)NCC[NH+](C)C)CC[N@@H+]1C ZINC000648713682 388042474 /nfs/dbraw/zinc/04/24/74/388042474.db2.gz UKILVAXVOCNDQW-NXEZZACHSA-N 2 0 213.325 0.004 20 0 BCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000108462128 388031023 /nfs/dbraw/zinc/03/10/23/388031023.db2.gz GIIPHDBRUGXHTN-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000108462130 388031045 /nfs/dbraw/zinc/03/10/45/388031045.db2.gz GIIPHDBRUGXHTN-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000423274882 388055824 /nfs/dbraw/zinc/05/58/24/388055824.db2.gz MKJJYEZGBAYFBX-GARJFASQSA-N 2 0 200.326 0.999 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H](C)C[NH2+]C)C1 ZINC000423277346 388058669 /nfs/dbraw/zinc/05/86/69/388058669.db2.gz PXLXMLBCRWYYSP-GRYCIOLGSA-N 2 0 213.369 0.772 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423278842 388059969 /nfs/dbraw/zinc/05/99/69/388059969.db2.gz RRQBHCOQUPXPJF-QJPTWQEYSA-N 3 0 213.369 0.949 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000083907645 388065291 /nfs/dbraw/zinc/06/52/91/388065291.db2.gz DHNHIRIDJWBWLF-SNVBAGLBSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H](C[NH3+])C1CC1 ZINC000423285484 388068561 /nfs/dbraw/zinc/06/85/61/388068561.db2.gz YFXVYQBXCNSFPF-JIMOISOXSA-N 2 0 223.364 0.796 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CC1(C[NH3+])CC1 ZINC000423295045 388076841 /nfs/dbraw/zinc/07/68/41/388076841.db2.gz DHQPBTNNALNWEV-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP CCCC[C@H](C[NH3+])N[C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423298288 388080349 /nfs/dbraw/zinc/08/03/49/388080349.db2.gz NYGOWRZQEXUYJY-JHJVBQTASA-N 2 0 243.395 0.861 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H](C)C[NH3+] ZINC000336658559 388080855 /nfs/dbraw/zinc/08/08/55/388080855.db2.gz IWVXKXVUUQWLHQ-GXSJLCMTSA-N 2 0 215.341 0.461 20 0 BCADRP C[C@H](Cn1cccn1)[NH2+]CCOCC[NH+](C)C ZINC000447596102 388081024 /nfs/dbraw/zinc/08/10/24/388081024.db2.gz PONMSYLMRRGYGP-GFCCVEGCSA-N 2 0 240.351 0.439 20 0 BCADRP CC(C)[C@@](C)(CN)[NH2+]CCCS(C)(=O)=O ZINC000336659227 388082607 /nfs/dbraw/zinc/08/26/07/388082607.db2.gz IYJYBUGWARXWTJ-SNVBAGLBSA-N 2 0 236.381 0.384 20 0 BCADRP CCC[N@@H+](CC(=O)OC)CC1CC[NH2+]CC1 ZINC000086703354 388107034 /nfs/dbraw/zinc/10/70/34/388107034.db2.gz RUDVVAYCXYNYCC-UHFFFAOYSA-N 2 0 228.336 0.871 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645977070 388113655 /nfs/dbraw/zinc/11/36/55/388113655.db2.gz SMEBZFBEIGLXMP-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423266599 388046415 /nfs/dbraw/zinc/04/64/15/388046415.db2.gz DKPLJLZOLLJIPQ-QJPTWQEYSA-N 3 0 213.369 0.820 20 0 BCADRP C[C@@H]1CSC[C@@H]1[NH2+]C[C@]1(O)CCN(C)C1 ZINC000449242266 388161314 /nfs/dbraw/zinc/16/13/14/388161314.db2.gz DZLBVCGJRXAJSM-OUAUKWLOSA-N 2 0 230.377 0.394 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N(C)CCC[NH3+] ZINC000646215840 388166621 /nfs/dbraw/zinc/16/66/21/388166621.db2.gz KIILQKUCAWMSMF-BDAKNGLRSA-N 2 0 216.329 0.102 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC(C)([NH3+])CC1 ZINC000646216812 388167161 /nfs/dbraw/zinc/16/71/61/388167161.db2.gz YGCCBCZXJILEDX-VHSXEESVSA-N 2 0 242.367 0.635 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CC(C)(C)[NH3+] ZINC000646222570 388167738 /nfs/dbraw/zinc/16/77/38/388167738.db2.gz JGZAJBDQCINXRV-ONGXEEELSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H](NC(=O)C1([NH3+])CCC1)C(C)(C)C[NH+](C)C ZINC000449362796 388182707 /nfs/dbraw/zinc/18/27/07/388182707.db2.gz KZXOEIHGGCLFFL-JTQLQIEISA-N 2 0 241.379 0.960 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H](C)[NH2+]CCC ZINC000449370973 388184273 /nfs/dbraw/zinc/18/42/73/388184273.db2.gz OWOBHMFDEVYMSB-JTQLQIEISA-N 2 0 215.341 0.490 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)c1ccc(C[NH3+])o1 ZINC000646050842 388133640 /nfs/dbraw/zinc/13/36/40/388133640.db2.gz QITLLSFARVTWKB-UHFFFAOYSA-N 2 0 239.319 0.856 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CC(C)(C)[NH3+] ZINC000646070709 388137023 /nfs/dbraw/zinc/13/70/23/388137023.db2.gz KTBMNYFTNPNLAK-WDEREUQCSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000449086110 388140464 /nfs/dbraw/zinc/14/04/64/388140464.db2.gz QNWLAQIOWZJBAO-OUAUKWLOSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@H]([NH3+])C1 ZINC000449095573 388141319 /nfs/dbraw/zinc/14/13/19/388141319.db2.gz ZMSKBUWYWWRXKU-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]([NH3+])C(C)C ZINC000449127032 388141893 /nfs/dbraw/zinc/14/18/93/388141893.db2.gz VNGVLJGYJZBJPH-ZJUUUORDSA-N 2 0 215.341 0.474 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[C@H](C)[NH3+] ZINC000449098380 388141976 /nfs/dbraw/zinc/14/19/76/388141976.db2.gz JCSDMVFBOPNDDF-UWVGGRQHSA-N 2 0 229.368 0.864 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000449100618 388142336 /nfs/dbraw/zinc/14/23/36/388142336.db2.gz CIYQOQNUOOYUPG-VHSXEESVSA-N 2 0 213.325 0.243 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC[N@H+](C)C1CC1 ZINC000449102829 388142737 /nfs/dbraw/zinc/14/27/37/388142737.db2.gz LUZHRFXVVBLWKK-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000449105359 388142873 /nfs/dbraw/zinc/14/28/73/388142873.db2.gz YOFNABFNORNZLR-QJPTWQEYSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH+]1CCC2(CC1)C[N@H+](CCCO)CCO2 ZINC000646103588 388142997 /nfs/dbraw/zinc/14/29/97/388142997.db2.gz KHPVBQDTZQCBEC-UHFFFAOYSA-N 2 0 228.336 0.165 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000449102788 388143235 /nfs/dbraw/zinc/14/32/35/388143235.db2.gz LPYAFIAYHLDFQY-WDEREUQCSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC(C)(C)C[NH3+] ZINC000449108589 388143733 /nfs/dbraw/zinc/14/37/33/388143733.db2.gz UUBAPFAUJSKZRU-VIFPVBQESA-N 2 0 229.368 0.864 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000449106561 388143760 /nfs/dbraw/zinc/14/37/60/388143760.db2.gz IOQDWFUQXONUJQ-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000449106560 388143807 /nfs/dbraw/zinc/14/38/07/388143807.db2.gz IOQDWFUQXONUJQ-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1CCOC1)CCO2 ZINC000646106315 388143784 /nfs/dbraw/zinc/14/37/84/388143784.db2.gz UFLMSGMVVJRFHD-LBPRGKRZSA-N 2 0 240.347 0.572 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646108533 388143821 /nfs/dbraw/zinc/14/38/21/388143821.db2.gz HHCCMRSGIIMPTQ-ZJUUUORDSA-N 2 0 227.352 0.441 20 0 BCADRP COC(=O)COC[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000449106816 388144063 /nfs/dbraw/zinc/14/40/63/388144063.db2.gz JZWXDYDGGDPWSQ-WDEREUQCSA-N 2 0 246.351 0.494 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000449117460 388144352 /nfs/dbraw/zinc/14/43/52/388144352.db2.gz UPHDAANRDIVGGQ-KXUCPTDWSA-N 2 0 225.336 0.336 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000449116158 388144413 /nfs/dbraw/zinc/14/44/13/388144413.db2.gz KDVAIJRYZIXMFK-DTWKUNHWSA-N 2 0 201.314 0.180 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000449115282 388144950 /nfs/dbraw/zinc/14/49/50/388144950.db2.gz LFDRENIBGNSRDC-JOYOIKCWSA-N 2 0 227.352 0.618 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC[N@H+](C)CC ZINC000449120237 388145202 /nfs/dbraw/zinc/14/52/02/388145202.db2.gz CJYSRRKYMYLQGG-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000449118537 388145504 /nfs/dbraw/zinc/14/55/04/388145504.db2.gz SNYWYTCHVYZCBV-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000449123961 388145564 /nfs/dbraw/zinc/14/55/64/388145564.db2.gz ORBZILNQLOPXII-NHCYSSNCSA-N 2 0 239.363 0.761 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000449118680 388145663 /nfs/dbraw/zinc/14/56/63/388145663.db2.gz ZCIRDJVBDBJDNI-GARJFASQSA-N 2 0 227.352 0.583 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449139401 388147911 /nfs/dbraw/zinc/14/79/11/388147911.db2.gz KYACLWOARSCSFR-IJLUTSLNSA-N 2 0 241.379 0.674 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000449179718 388154200 /nfs/dbraw/zinc/15/42/00/388154200.db2.gz WOGZAPKQANRIEJ-UTLUCORTSA-N 2 0 225.336 0.336 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000646139363 388154578 /nfs/dbraw/zinc/15/45/78/388154578.db2.gz QCGMDQPMIUBLBM-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449665116 388250139 /nfs/dbraw/zinc/25/01/39/388250139.db2.gz MMVCXULWRJUWEW-RKDXNWHRSA-N 2 0 249.305 0.617 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449665113 388250456 /nfs/dbraw/zinc/25/04/56/388250456.db2.gz MMVCXULWRJUWEW-BDAKNGLRSA-N 2 0 249.305 0.617 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCC1 ZINC000449673459 388251600 /nfs/dbraw/zinc/25/16/00/388251600.db2.gz ZRSMBPMSVGXNRY-VIFPVBQESA-N 2 0 213.325 0.454 20 0 BCADRP CCN1C[C@H]([NH2+]CC[C@@](C)(O)COC)[C@@H](C)C1 ZINC000449386336 388190749 /nfs/dbraw/zinc/19/07/49/388190749.db2.gz TWAYBHPDYMGCAB-RWMBFGLXSA-N 2 0 244.379 0.704 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000646306369 388192969 /nfs/dbraw/zinc/19/29/69/388192969.db2.gz LGMSGKFSJZNTRG-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP [NH3+]C1(CNC(=O)CC[C@@H]2CCC[NH2+]2)CCC1 ZINC000646306669 388195095 /nfs/dbraw/zinc/19/50/95/388195095.db2.gz HTTZMPGIKCQVQD-JTQLQIEISA-N 2 0 225.336 0.516 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000646313176 388203096 /nfs/dbraw/zinc/20/30/96/388203096.db2.gz XGFYHMPOYAITNJ-YPMHNXCESA-N 2 0 239.363 0.572 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000449475055 388213673 /nfs/dbraw/zinc/21/36/73/388213673.db2.gz DXWJCXXRSZLEJW-GHMZBOCLSA-N 2 0 227.352 0.633 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000449490520 388217559 /nfs/dbraw/zinc/21/75/59/388217559.db2.gz CFJGVFYPENGYGB-VPOLOUISSA-N 2 0 225.336 0.051 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000449503218 388219594 /nfs/dbraw/zinc/21/95/94/388219594.db2.gz XLYYMZOPVAOXNF-ATZCPNFKSA-N 2 0 225.336 0.384 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000489552890 388220347 /nfs/dbraw/zinc/22/03/47/388220347.db2.gz NIVCZBSGJNNNIR-NEPJUHHUSA-N 2 0 235.331 0.786 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000489541928 388220720 /nfs/dbraw/zinc/22/07/20/388220720.db2.gz CDTSNXIOCGSFLA-WDEREUQCSA-N 2 0 229.368 0.802 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000449517012 388222044 /nfs/dbraw/zinc/22/20/44/388222044.db2.gz DHZNESRCMZCFJG-NXEZZACHSA-N 2 0 229.368 0.735 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449518411 388222496 /nfs/dbraw/zinc/22/24/96/388222496.db2.gz JOJMOHRSJZHIRM-GMTAPVOTSA-N 2 0 227.352 0.618 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000449530055 388225163 /nfs/dbraw/zinc/22/51/63/388225163.db2.gz BTZHPZWZQYSYPE-KXUCPTDWSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449570416 388236157 /nfs/dbraw/zinc/23/61/57/388236157.db2.gz JKNLJHFZFNOXAN-HKLXJQGRSA-N 2 0 237.347 0.193 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449573234 388236285 /nfs/dbraw/zinc/23/62/85/388236285.db2.gz PYZCAHIBXDCANG-UGCHFJIKSA-N 2 0 237.347 0.228 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449599736 388239983 /nfs/dbraw/zinc/23/99/83/388239983.db2.gz HRVNKSKRYZKYNB-GARJFASQSA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C1([NH3+])CCCCC1 ZINC000449602031 388240001 /nfs/dbraw/zinc/24/00/01/388240001.db2.gz SMXVMLSTKHXBBW-SECBINFHSA-N 2 0 213.325 0.502 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000449609859 388242603 /nfs/dbraw/zinc/24/26/03/388242603.db2.gz OSEPHMNTWWJEMY-NHCYSSNCSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@]1(C(=O)N[C@H](CC[NH3+])C(F)F)CCCC[NH2+]1 ZINC000449619619 388244142 /nfs/dbraw/zinc/24/41/42/388244142.db2.gz CPMXUPARWPGNBZ-LDYMZIIASA-N 2 0 249.305 0.617 20 0 BCADRP C[C@H]1CC[C@@H](C[NH+]2CCC(O)(C[NH3+])CC2)O1 ZINC000397060935 388284438 /nfs/dbraw/zinc/28/44/38/388284438.db2.gz PTZOEYHMWBUPKB-QWRGUYRKSA-N 2 0 228.336 0.340 20 0 BCADRP C[NH+](C)C/C=C\C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000491636834 388307221 /nfs/dbraw/zinc/30/72/21/388307221.db2.gz HWEIWKYPJBKFAG-XYLWRLHESA-N 2 0 239.363 0.657 20 0 BCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)/C=C/C[NH+](C)C ZINC000491845207 388324542 /nfs/dbraw/zinc/32/45/42/388324542.db2.gz JSPNEYNCADRAJC-FYJFLYSWSA-N 2 0 239.363 0.657 20 0 BCADRP C[NH+](C)C/C=C/C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000491864694 388325135 /nfs/dbraw/zinc/32/51/35/388325135.db2.gz GSCSVKGKAKYIRE-FYJFLYSWSA-N 2 0 239.363 0.561 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)/C=C/C[NH+](C)C ZINC000491881089 388326232 /nfs/dbraw/zinc/32/62/32/388326232.db2.gz GCQIPPNYIBUJQC-ABZNLYFFSA-N 2 0 241.379 0.951 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)/C=C\C[NH+](C)C ZINC000491890736 388326461 /nfs/dbraw/zinc/32/64/61/388326461.db2.gz IBMKDPPDSQSSHG-JMEBYUIHSA-N 2 0 227.352 0.561 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)/C=C\C[NH+](C)C)C1 ZINC000491913630 388327757 /nfs/dbraw/zinc/32/77/57/388327757.db2.gz LSIKQQIYEQHZTB-QMAVJUDZSA-N 2 0 239.363 0.562 20 0 BCADRP C[C@]1(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[NH2+]C1 ZINC000646336149 388261832 /nfs/dbraw/zinc/26/18/32/388261832.db2.gz JPMDJWYHGVYCSE-LOWVWBTDSA-N 2 0 237.347 0.196 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336411 388262283 /nfs/dbraw/zinc/26/22/83/388262283.db2.gz RFIXPXYULZZNRB-VHSXEESVSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)[C@H]([NH3+])CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646336297 388262381 /nfs/dbraw/zinc/26/23/81/388262381.db2.gz NANMKTCVGVIIQV-IJLUTSLNSA-N 2 0 239.363 0.570 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646336314 388262600 /nfs/dbraw/zinc/26/26/00/388262600.db2.gz NQAQQKDDOVQAEF-OUAUKWLOSA-N 2 0 237.347 0.195 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)/C=C\C[NH+](C)C ZINC000491996789 388331032 /nfs/dbraw/zinc/33/10/32/388331032.db2.gz YNXCXEDQWVIMOI-CLFYSBASSA-N 2 0 241.379 0.904 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H](C)[NH3+] ZINC000645953096 388268321 /nfs/dbraw/zinc/26/83/21/388268321.db2.gz ANFHBZVGXMIKGG-JFGNBEQYSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953518 388268989 /nfs/dbraw/zinc/26/89/89/388268989.db2.gz XUCCSJLGMZCWON-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000645953238 388269436 /nfs/dbraw/zinc/26/94/36/388269436.db2.gz KTQCAYYXICGKOY-NWDGAFQWSA-N 2 0 237.347 0.339 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953260 388269535 /nfs/dbraw/zinc/26/95/35/388269535.db2.gz LTUOUDKUWWOSLC-QWRGUYRKSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953261 388269545 /nfs/dbraw/zinc/26/95/45/388269545.db2.gz LTUOUDKUWWOSLC-WDEREUQCSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]C[C@H](NC(=O)C1([NH3+])CC1)C1CCCC1 ZINC000516563070 388348474 /nfs/dbraw/zinc/34/84/74/388348474.db2.gz QYWQKJHATOOQDX-VIFPVBQESA-N 2 0 211.309 0.111 20 0 BCADRP C[C@@H]1[C@H](C(=O)NCCCC[NH+](C)C)CC[N@@H+]1C ZINC000648782038 388350679 /nfs/dbraw/zinc/35/06/79/388350679.db2.gz MKPOQXWXUUGMRS-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)[NH+](C)C ZINC000646427182 388356953 /nfs/dbraw/zinc/35/69/53/388356953.db2.gz RIRUIVRHMCKNTE-BDAKNGLRSA-N 2 0 213.325 0.051 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)[NH+](C)C ZINC000646427184 388357468 /nfs/dbraw/zinc/35/74/68/388357468.db2.gz RIRUIVRHMCKNTE-IUCAKERBSA-N 2 0 213.325 0.051 20 0 BCADRP C[N@@H+]1CCC[C@H]1CCN1CCCC[C@@H]1C(N)=O ZINC000163692383 388366153 /nfs/dbraw/zinc/36/61/53/388366153.db2.gz HBDZGHMRDFRMAH-NWDGAFQWSA-N 2 0 239.363 0.811 20 0 BCADRP CN(CC[C@@H]1CCC[N@@H+]1C)CC(=O)NC1CC1 ZINC000163674757 388366323 /nfs/dbraw/zinc/36/63/23/388366323.db2.gz SKPFLBBQNMORKB-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP COC[C@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000572714330 388369877 /nfs/dbraw/zinc/36/98/77/388369877.db2.gz FADXMGILWHBKCN-CYBMUJFWSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)CC[NH2+]1 ZINC000235691636 388374605 /nfs/dbraw/zinc/37/46/05/388374605.db2.gz ADBNJBKMMCRFDJ-SRVKXCTJSA-N 2 0 239.363 0.442 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000519551781 256651255 /nfs/dbraw/zinc/65/12/55/256651255.db2.gz YINPRJGJNOYPRB-ZDUSSCGKSA-N 2 0 237.347 0.198 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000519551736 256651347 /nfs/dbraw/zinc/65/13/47/256651347.db2.gz YINPRJGJNOYPRB-CYBMUJFWSA-N 2 0 237.347 0.198 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000165565378 388405582 /nfs/dbraw/zinc/40/55/82/388405582.db2.gz SSVSZBYMZKXFFF-IUCAKERBSA-N 2 0 201.314 0.038 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000646533755 388377039 /nfs/dbraw/zinc/37/70/39/388377039.db2.gz OZVHLPUWSDFJHY-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)C2([NH3+])CCC2)C1 ZINC000646533962 388377121 /nfs/dbraw/zinc/37/71/21/388377121.db2.gz ZDFGMQFOYRWBCF-SNVBAGLBSA-N 2 0 225.336 0.278 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000646533884 388377473 /nfs/dbraw/zinc/37/74/73/388377473.db2.gz NRFUPPHSMYLLOS-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000646533691 388377534 /nfs/dbraw/zinc/37/75/34/388377534.db2.gz GAYGVYXLONJGOD-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)C1([NH3+])CC1 ZINC000236710988 388382565 /nfs/dbraw/zinc/38/25/65/388382565.db2.gz HBMWYEPHDBDLQT-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC[NH+](C2CC2)CC1 ZINC000572878677 388382792 /nfs/dbraw/zinc/38/27/92/388382792.db2.gz YAKHSRVOYOYFTE-ITGUQSILSA-N 2 0 249.358 0.195 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000236716538 388382853 /nfs/dbraw/zinc/38/28/53/388382853.db2.gz QCMZNZXZPLOVAQ-ZJUUUORDSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000519829532 256661576 /nfs/dbraw/zinc/66/15/76/256661576.db2.gz ZCDMTSYIMUHWJA-LBPRGKRZSA-N 2 0 225.336 0.183 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C(C)(C)C[NH3+])C1CC1 ZINC000237131253 388389721 /nfs/dbraw/zinc/38/97/21/388389721.db2.gz NPRBKVSNEGEKOF-JTQLQIEISA-N 2 0 227.352 0.428 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)C[NH2+]C2CC2)c1 ZINC000646580612 388389751 /nfs/dbraw/zinc/38/97/51/388389751.db2.gz HGDAXUXLOUAMTR-UHFFFAOYSA-N 2 0 219.288 0.836 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC000237187183 388390846 /nfs/dbraw/zinc/39/08/46/388390846.db2.gz YHCZKKFDCJYSMU-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)C1([NH3+])CCCCC1 ZINC000237275742 388392730 /nfs/dbraw/zinc/39/27/30/388392730.db2.gz ZNXSWNLTKHWJFE-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237420704 388394635 /nfs/dbraw/zinc/39/46/35/388394635.db2.gz AJBBSVGAFIPHGQ-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000646611736 388394790 /nfs/dbraw/zinc/39/47/90/388394790.db2.gz VMCBPCNKKOCGKC-QWRGUYRKSA-N 2 0 225.336 0.387 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000237924085 388399613 /nfs/dbraw/zinc/39/96/13/388399613.db2.gz HPAFEEHIFRMURI-TUAOUCFPSA-N 2 0 239.363 0.844 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000237918073 388399660 /nfs/dbraw/zinc/39/96/60/388399660.db2.gz BISYTNDKQMQWPM-VIFPVBQESA-N 2 0 211.309 0.208 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NC[C@@H]2CCC[NH2+]C2)o1 ZINC000646643739 388400415 /nfs/dbraw/zinc/40/04/15/388400415.db2.gz IPRXYQOROAQJOA-SECBINFHSA-N 2 0 237.303 0.468 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000646649447 388401805 /nfs/dbraw/zinc/40/18/05/388401805.db2.gz GCBUKYMCMOQTFM-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+]C1(C(=O)NC[C@H]2CCCC[NH2+]2)CCC1 ZINC000646650548 388402541 /nfs/dbraw/zinc/40/25/41/388402541.db2.gz BSCOBAOEESLXOT-SECBINFHSA-N 2 0 211.309 0.126 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H](C)[NH2+]1 ZINC000646737057 388447933 /nfs/dbraw/zinc/44/79/33/388447933.db2.gz QFAWNLRXBZOYSJ-IJLUTSLNSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)[C@H](CO)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000394058193 388450067 /nfs/dbraw/zinc/45/00/67/388450067.db2.gz VLDJYCVHYJGMTE-SRVKXCTJSA-N 2 0 214.353 0.968 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCN(C)C[C@H]1C ZINC000335663457 388454244 /nfs/dbraw/zinc/45/42/44/388454244.db2.gz PYCQIEIAPXJIRZ-NXEZZACHSA-N 2 0 225.336 0.289 20 0 BCADRP COC(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309569713 388457373 /nfs/dbraw/zinc/45/73/73/388457373.db2.gz MLAROYMEOTZNPK-PHIMTYICSA-N 2 0 226.320 0.481 20 0 BCADRP CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000336659610 388460290 /nfs/dbraw/zinc/46/02/90/388460290.db2.gz NHSZAFVSZUKJKN-MNOVXSKESA-N 2 0 229.368 0.960 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)N1CCOCC1 ZINC000336731446 388470911 /nfs/dbraw/zinc/47/09/11/388470911.db2.gz YVKSEQUDPFHGHM-GFCCVEGCSA-N 2 0 243.395 0.814 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)c1coc(C[NH3+])c1 ZINC000646753526 388474882 /nfs/dbraw/zinc/47/48/82/388474882.db2.gz DVDCNAFEABLOID-JTQLQIEISA-N 2 0 239.319 0.842 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000316148303 388407205 /nfs/dbraw/zinc/40/72/05/388407205.db2.gz JIHDYACTXZGIPE-SRVKXCTJSA-N 2 0 212.337 0.864 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000646672081 388411472 /nfs/dbraw/zinc/41/14/72/388411472.db2.gz XMNMSHSABMSTLB-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000646671999 388411565 /nfs/dbraw/zinc/41/15/65/388411565.db2.gz PQVZMJCQSHFWQP-QWRGUYRKSA-N 2 0 241.379 0.818 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000646672084 388411743 /nfs/dbraw/zinc/41/17/43/388411743.db2.gz XMNMSHSABMSTLB-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000166025001 388416195 /nfs/dbraw/zinc/41/61/95/388416195.db2.gz XZJXJPHWHVAZMN-HBNTYKKESA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)CC1(C[NH3+])CC1 ZINC000646690381 388418149 /nfs/dbraw/zinc/41/81/49/388418149.db2.gz DETZQLYJBIHALJ-UHFFFAOYSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000646697069 388418945 /nfs/dbraw/zinc/41/89/45/388418945.db2.gz UVDGVVURZACQBX-MWLCHTKSSA-N 2 0 221.304 0.540 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000646696950 388418960 /nfs/dbraw/zinc/41/89/60/388418960.db2.gz DIIJORWHPYAESR-NEPJUHHUSA-N 2 0 247.342 0.801 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000573121499 388421945 /nfs/dbraw/zinc/42/19/45/388421945.db2.gz FYNXSOZNDSTJRC-XQQFMLRXSA-N 2 0 242.363 0.851 20 0 BCADRP C[NH+](C)C[C@H]1CC[N@H+](CC[C@H]2CCNC2=O)C1 ZINC000573164748 388428135 /nfs/dbraw/zinc/42/81/35/388428135.db2.gz XBQXINRRESWEGQ-VXGBXAGGSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000336888023 388429979 /nfs/dbraw/zinc/42/99/79/388429979.db2.gz DSVZWWRJFZNBAE-NSHDSACASA-N 2 0 239.363 0.811 20 0 BCADRP [NH3+][C@H]1C[C@@H]2C[N@H+](CC3CCC3)CCN2C1=O ZINC000573220607 388434080 /nfs/dbraw/zinc/43/40/80/388434080.db2.gz HACRXBOHSUZUSF-MNOVXSKESA-N 2 0 223.320 0.030 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000573245997 388434905 /nfs/dbraw/zinc/43/49/05/388434905.db2.gz JLMBNHLMLRJQSI-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]CC1(CC(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000573246015 388435058 /nfs/dbraw/zinc/43/50/58/388435058.db2.gz KOQOIAOWQWKYCV-UHFFFAOYSA-N 2 0 237.347 0.494 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000573244964 388435219 /nfs/dbraw/zinc/43/52/19/388435219.db2.gz ARYGVWRYDLLVTK-FBIMIBRVSA-N 2 0 225.336 0.323 20 0 BCADRP C[NH2+]C[C@](C)(O)C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000517159465 388539302 /nfs/dbraw/zinc/53/93/02/388539302.db2.gz ROBTUSQIKMGOIE-UTUOFQBUSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000517139844 388540104 /nfs/dbraw/zinc/54/01/04/388540104.db2.gz KNOGCDBRFPOZQI-AXFHLTTASA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000516465368 256777272 /nfs/dbraw/zinc/77/72/72/256777272.db2.gz SWVFLCPDGMCZAQ-GFCCVEGCSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000516462574 256777691 /nfs/dbraw/zinc/77/76/91/256777691.db2.gz BOKTYZPQWJHNBP-MNOVXSKESA-N 2 0 227.352 0.252 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000517233423 388543403 /nfs/dbraw/zinc/54/34/03/388543403.db2.gz PNWQTRADPKNUHF-VXGBXAGGSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000517237602 388544423 /nfs/dbraw/zinc/54/44/23/388544423.db2.gz LUBVXIOENXRJSC-GUBZILKMSA-N 2 0 215.341 0.602 20 0 BCADRP C[NH2+][C@H](C)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000517246425 388545831 /nfs/dbraw/zinc/54/58/31/388545831.db2.gz VUFJITSQAUBIQQ-MXWKQRLJSA-N 2 0 225.336 0.147 20 0 BCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000646760525 388482745 /nfs/dbraw/zinc/48/27/45/388482745.db2.gz MFCSSYPTFUCWFL-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H](C)[NH+](C)C ZINC000649271074 388482834 /nfs/dbraw/zinc/48/28/34/388482834.db2.gz KQGLGNBSMYMPSF-JTQLQIEISA-N 2 0 215.341 0.441 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[NH+](C)C ZINC000649272524 388483589 /nfs/dbraw/zinc/48/35/89/388483589.db2.gz DRPLCJWEYHXCEW-KXUCPTDWSA-N 2 0 213.325 0.132 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC[C@H]1[NH3+] ZINC000646762918 388486478 /nfs/dbraw/zinc/48/64/78/388486478.db2.gz DSBMWTKFGSZUGQ-BBBLOLIVSA-N 2 0 225.336 0.180 20 0 BCADRP C[NH+](C)CCCCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000340127610 388487603 /nfs/dbraw/zinc/48/76/03/388487603.db2.gz WJRYEJJMPXXPMV-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH+](CC)CCCNC(=O)N1CC[NH2+]CC1 ZINC000244215771 388488726 /nfs/dbraw/zinc/48/87/26/388488726.db2.gz VWWIVJCEJGELCF-UHFFFAOYSA-N 2 0 242.367 0.333 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000340251425 388489097 /nfs/dbraw/zinc/48/90/97/388489097.db2.gz PYSVOUVPWQBAAK-LLVKDONJSA-N 2 0 242.363 0.600 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000646776357 388497409 /nfs/dbraw/zinc/49/74/09/388497409.db2.gz YXSZVKSZFGPGTG-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccncc2)CC1 ZINC000344535060 388507070 /nfs/dbraw/zinc/50/70/70/388507070.db2.gz SOZBDPMOFZMTQL-UHFFFAOYSA-N 2 0 235.331 0.628 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]Cc2cccnc2)CC1 ZINC000344552362 388507526 /nfs/dbraw/zinc/50/75/26/388507526.db2.gz NHTOWYNOTYXRQP-UHFFFAOYSA-N 2 0 235.331 0.628 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000516928147 388509968 /nfs/dbraw/zinc/50/99/68/388509968.db2.gz IXYAIAJZNQOBPT-PWSUYJOCSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](COC)C1CC1 ZINC000397968755 388513250 /nfs/dbraw/zinc/51/32/50/388513250.db2.gz SGRFIWIYLUOFDO-MWLCHTKSSA-N 2 0 200.326 0.857 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000649280651 388514536 /nfs/dbraw/zinc/51/45/36/388514536.db2.gz BOPFWFLMJAAATI-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)C1CCCC1 ZINC000516750024 388514710 /nfs/dbraw/zinc/51/47/10/388514710.db2.gz ZNRAEFDLEQRMPY-WZRBSPASSA-N 2 0 237.347 0.372 20 0 BCADRP C[C@@H](O)[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000516965530 388517911 /nfs/dbraw/zinc/51/79/11/388517911.db2.gz ZSCSOZRHFKYKEE-NWDGAFQWSA-N 2 0 243.395 0.371 20 0 BCADRP CN1CCN(C(=O)NC(C)(C)C)[C@H](C[NH3+])C1 ZINC000087613617 388521391 /nfs/dbraw/zinc/52/13/91/388521391.db2.gz LBOWAGVKWBNYGQ-SECBINFHSA-N 2 0 228.340 0.069 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C3([NH3+])CCC3)C[C@@H]21 ZINC000516866308 388521553 /nfs/dbraw/zinc/52/15/53/388521553.db2.gz MYVGWXVOCDJXFC-GARJFASQSA-N 2 0 237.347 0.454 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000516868142 388522763 /nfs/dbraw/zinc/52/27/63/388522763.db2.gz UGPGFXZIKBXYCU-GRYCIOLGSA-N 2 0 211.353 0.655 20 0 BCADRP C[NH2+][C@H](C)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000517246427 256821792 /nfs/dbraw/zinc/82/17/92/256821792.db2.gz VUFJITSQAUBIQQ-VWYCJHECSA-N 2 0 225.336 0.147 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC(C)(C)C[NH+](C)C ZINC000516925952 388525046 /nfs/dbraw/zinc/52/50/46/388525046.db2.gz PEJNQHDSPLJBDE-VHSXEESVSA-N 2 0 244.383 0.752 20 0 BCADRP C[C@]1(C(=O)N2CCC(C[NH3+])CC2)CCC[NH2+]1 ZINC000516927404 388525099 /nfs/dbraw/zinc/52/50/99/388525099.db2.gz LNKNWOJERLPMKL-GFCCVEGCSA-N 2 0 225.336 0.326 20 0 BCADRP CO[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000516970672 388530339 /nfs/dbraw/zinc/53/03/39/388530339.db2.gz YTZFJYGFOXSVSS-YNEHKIRRSA-N 2 0 241.379 0.424 20 0 BCADRP O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649284611 388533774 /nfs/dbraw/zinc/53/37/74/388533774.db2.gz KNXHOSJWCVXASH-ITGUQSILSA-N 2 0 249.358 0.195 20 0 BCADRP CC[C@@H]1CCN1C[C@H](O)C[N@H+](C)CC ZINC000517038586 388534690 /nfs/dbraw/zinc/53/46/90/388534690.db2.gz HPSVWOBEYATKGR-GHMZBOCLSA-N 2 0 200.326 0.783 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)[NH+](C)C ZINC000649306075 388590871 /nfs/dbraw/zinc/59/08/71/388590871.db2.gz YTKKHKVKNUXPHT-DTWKUNHWSA-N 2 0 249.305 0.298 20 0 BCADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000649316899 388607632 /nfs/dbraw/zinc/60/76/32/388607632.db2.gz YAXSTOQLAZETME-NDBYEHHHSA-N 2 0 249.358 0.149 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528602175 388550941 /nfs/dbraw/zinc/55/09/41/388550941.db2.gz GMOBJLIHJJZRCE-RWMBFGLXSA-N 2 0 242.363 0.003 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528602168 388551158 /nfs/dbraw/zinc/55/11/58/388551158.db2.gz GMOBJLIHJJZRCE-AVGNSLFASA-N 2 0 242.363 0.003 20 0 BCADRP CC[NH+](CC)CCC[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528602118 388551641 /nfs/dbraw/zinc/55/16/41/388551641.db2.gz FNDRZBQDJOIEME-STQMWFEESA-N 2 0 244.379 0.251 20 0 BCADRP Cc1noc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000358021483 388552962 /nfs/dbraw/zinc/55/29/62/388552962.db2.gz HPKRINVWULLNNM-GXSJLCMTSA-N 2 0 238.335 0.850 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)C1CCCC1 ZINC000517569946 388554834 /nfs/dbraw/zinc/55/48/34/388554834.db2.gz UANWWOIDDRHIRD-IUCAKERBSA-N 2 0 249.305 0.603 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646823376 388558500 /nfs/dbraw/zinc/55/85/00/388558500.db2.gz ZOJVHKVWTZXQHU-MNOVXSKESA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)CC[NH2+]C1CC1 ZINC000521068083 388560899 /nfs/dbraw/zinc/56/08/99/388560899.db2.gz KYQONBAJXHQEIR-GXSJLCMTSA-N 2 0 225.336 0.243 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)c1ccc(C[NH3+])o1 ZINC000646840461 388615736 /nfs/dbraw/zinc/61/57/36/388615736.db2.gz MRLVLGFWNJWOIO-SECBINFHSA-N 2 0 239.319 0.986 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000365094233 388564186 /nfs/dbraw/zinc/56/41/86/388564186.db2.gz NPGSRABAVLCKOQ-KKZNHRDASA-N 2 0 211.309 0.064 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649297733 388575760 /nfs/dbraw/zinc/57/57/60/388575760.db2.gz UGMBHUNOFOMPQF-OBPIAQAESA-N 2 0 249.358 0.195 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000517719693 256831976 /nfs/dbraw/zinc/83/19/76/256831976.db2.gz NOENOZRQFNTTDO-GRYCIOLGSA-N 2 0 239.363 0.490 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(N)=O)C1 ZINC000081571301 388584455 /nfs/dbraw/zinc/58/44/55/388584455.db2.gz CODHQHCESVDQAG-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000261574120 135216121 /nfs/dbraw/zinc/21/61/21/135216121.db2.gz JCEYGDHVYGEZGS-GXSJLCMTSA-N 2 0 213.325 0.324 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN([C@H](C)C(N)=O)C1 ZINC000247531519 388666094 /nfs/dbraw/zinc/66/60/94/388666094.db2.gz OGATZTNMCSNWCU-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000522000044 388673631 /nfs/dbraw/zinc/67/36/31/388673631.db2.gz GEJBZDPPFJXRJH-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000521998456 388673811 /nfs/dbraw/zinc/67/38/11/388673811.db2.gz LCLPJHNWUPHCFO-QJPTWQEYSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000521998458 388674204 /nfs/dbraw/zinc/67/42/04/388674204.db2.gz LCLPJHNWUPHCFO-SDDRHHMPSA-N 2 0 239.363 0.666 20 0 BCADRP COCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248145364 388674642 /nfs/dbraw/zinc/67/46/42/388674642.db2.gz QCTKLCXRMOBWIJ-UPJWGTAASA-N 2 0 244.379 0.846 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000530215269 388628791 /nfs/dbraw/zinc/62/87/91/388628791.db2.gz GEMCMHPJBDTRCF-GARJFASQSA-N 2 0 211.353 0.986 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[NH2+]C12CCC2 ZINC000530215268 388629518 /nfs/dbraw/zinc/62/95/18/388629518.db2.gz GEMCMHPJBDTRCF-DCAQKATOSA-N 2 0 211.353 0.986 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530216144 388630531 /nfs/dbraw/zinc/63/05/31/388630531.db2.gz MWLBXMSQZHACCF-MNOVXSKESA-N 3 0 211.353 0.988 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)CCO)[C@@H](C)C1 ZINC000246418455 388635739 /nfs/dbraw/zinc/63/57/39/388635739.db2.gz BPXTWNGHMULXLK-QWRGUYRKSA-N 2 0 200.326 0.641 20 0 BCADRP C[C@H](NC[C@H]1COCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000530227415 388635865 /nfs/dbraw/zinc/63/58/65/388635865.db2.gz XJAQAKCSIKHEEA-SDDRHHMPSA-N 2 0 227.352 0.095 20 0 BCADRP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000521872899 388637320 /nfs/dbraw/zinc/63/73/20/388637320.db2.gz NEGMJWLNENAXFZ-SDDRHHMPSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@H]([NH3+])CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240791 388637691 /nfs/dbraw/zinc/63/76/91/388637691.db2.gz NVNYPRPDQIVRCI-WCQYABFASA-N 2 0 241.379 0.424 20 0 BCADRP O[C@@H](C[NH2+]CC12CC(C1)CO2)C[NH+]1CCCC1 ZINC000530242219 388638191 /nfs/dbraw/zinc/63/81/91/388638191.db2.gz OBSPTOADWSAVQP-CPCZMJQVSA-N 2 0 240.347 0.212 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000521876951 388638677 /nfs/dbraw/zinc/63/86/77/388638677.db2.gz LKEHTVMRNSYUIF-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CO)[C@@H](C)C1 ZINC000222602923 388640860 /nfs/dbraw/zinc/64/08/60/388640860.db2.gz BYPJZLPKGFKBCN-HBNTYKKESA-N 2 0 200.326 0.687 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C[C@@H](C)[NH2+]1 ZINC000246569463 388644191 /nfs/dbraw/zinc/64/41/91/388644191.db2.gz BLYLQVYACMVYPH-GWOFURMSSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000246726836 388650672 /nfs/dbraw/zinc/65/06/72/388650672.db2.gz XZJXJPHWHVAZMN-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](CO)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246840874 388652344 /nfs/dbraw/zinc/65/23/44/388652344.db2.gz CDZUWLFFGWQXFW-AXFHLTTASA-N 2 0 200.326 0.687 20 0 BCADRP CC[NH+](CC)CCCN1CCC[C@H]1C(=O)NC ZINC000191462401 388664024 /nfs/dbraw/zinc/66/40/24/388664024.db2.gz NLVKXMCSKIDVTK-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)CC[N@@H+]1C ZINC000128299629 388745535 /nfs/dbraw/zinc/74/55/35/388745535.db2.gz HHRVXZNVTQOLSG-JQWIXIFHSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000248869931 388697056 /nfs/dbraw/zinc/69/70/56/388697056.db2.gz OJERVBQZKOTCDI-AXFHLTTASA-N 2 0 225.336 0.385 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000249067643 388707273 /nfs/dbraw/zinc/70/72/73/388707273.db2.gz PYGOKIUZZHUHMW-XWLWVQCSSA-N 2 0 227.352 0.556 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000068195923 388765869 /nfs/dbraw/zinc/76/58/69/388765869.db2.gz XZBSWCNZJLWMAF-LLVKDONJSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000092950443 388822830 /nfs/dbraw/zinc/82/28/30/388822830.db2.gz WQNYABZGDYUFAR-JQWIXIFHSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000564988306 388902541 /nfs/dbraw/zinc/90/25/41/388902541.db2.gz AWXIPHFVSDEHOE-STQMWFEESA-N 2 0 242.363 0.723 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000152863366 388887081 /nfs/dbraw/zinc/88/70/81/388887081.db2.gz SWWKCCAGURBZIJ-LLVKDONJSA-N 2 0 227.352 0.666 20 0 BCADRP [NH3+][C@H](C(=O)N1CCC([NH3+])CC1)C1CCC1 ZINC000564796370 388889661 /nfs/dbraw/zinc/88/96/61/388889661.db2.gz FQTXXYTXDVIFPE-JTQLQIEISA-N 2 0 211.309 0.064 20 0 BCADRP C[C@H]([NH3+])CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000194842503 388894181 /nfs/dbraw/zinc/89/41/81/388894181.db2.gz OEFLTDOBOVHXTG-GARJFASQSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000194843982 388894680 /nfs/dbraw/zinc/89/46/80/388894680.db2.gz APUVODWXZCWDDP-SNVBAGLBSA-N 2 0 235.331 0.825 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000564939042 388899648 /nfs/dbraw/zinc/89/96/48/388899648.db2.gz XZEILJMQNFESHX-OUAUKWLOSA-N 2 0 244.383 0.929 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000564956848 388901070 /nfs/dbraw/zinc/90/10/70/388901070.db2.gz TXNIXONAGNEJJH-LPEHRKFASA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]1CN(C(=O)CCC[NH3+])C[C@@]1(C)C[NH3+] ZINC000564956850 388901275 /nfs/dbraw/zinc/90/12/75/388901275.db2.gz TYMWFTWKEVLOCS-MWLCHTKSSA-N 2 0 213.325 0.169 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000564459215 388876259 /nfs/dbraw/zinc/87/62/59/388876259.db2.gz QIGRNJACCCSLGY-WDEREUQCSA-N 2 0 216.325 0.068 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1csc(CC[NH3+])n1 ZINC000564995751 388906124 /nfs/dbraw/zinc/90/61/24/388906124.db2.gz NQOFBHKLZCJZTO-RNFRBKRXSA-N 2 0 242.348 0.110 20 0 BCADRP O=C(N1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000564994766 388906387 /nfs/dbraw/zinc/90/63/87/388906387.db2.gz FNTLQFOUTMVUTO-CZXHOFHRSA-N 2 0 249.358 0.196 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000565030406 388909646 /nfs/dbraw/zinc/90/96/46/388909646.db2.gz MTERVODFBGFMNW-DTORHVGOSA-N 2 0 213.325 0.180 20 0 BCADRP CC[N@H+](CC1CC1)C[C@@](C)(O)C[NH2+]C ZINC000565095785 388913988 /nfs/dbraw/zinc/91/39/88/388913988.db2.gz RSXHRLVMHHIILI-NSHDSACASA-N 2 0 200.326 0.689 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000565212842 388926632 /nfs/dbraw/zinc/92/66/32/388926632.db2.gz JMAOTYHMUCUKDL-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000262464843 388934584 /nfs/dbraw/zinc/93/45/84/388934584.db2.gz XRDMIBPVUHZWSH-LBPRGKRZSA-N 2 0 249.358 0.829 20 0 BCADRP OCCN1CCCC[C@@H]1C[NH2+]CC1(O)CCC1 ZINC000565716502 388965104 /nfs/dbraw/zinc/96/51/04/388965104.db2.gz HQWWKPJQTXFUAH-GFCCVEGCSA-N 2 0 242.363 0.338 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(C)(COC)CC1 ZINC000565367795 388940027 /nfs/dbraw/zinc/94/00/27/388940027.db2.gz ISKMQIBBLQDFBB-CYBMUJFWSA-N 2 0 244.379 0.705 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000565421222 388943130 /nfs/dbraw/zinc/94/31/30/388943130.db2.gz AEUFKCVUWDNUDK-GFCCVEGCSA-N 2 0 233.315 0.514 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000565477413 388947697 /nfs/dbraw/zinc/94/76/97/388947697.db2.gz FIYSOIYFVVDKHB-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H](O)[C@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000305647394 388948270 /nfs/dbraw/zinc/94/82/70/388948270.db2.gz SMUXUIIQVWMRIO-NEPJUHHUSA-N 2 0 223.320 0.976 20 0 BCADRP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000565480207 388948492 /nfs/dbraw/zinc/94/84/92/388948492.db2.gz BGSDRZOCRNZMBA-JHJVBQTASA-N 2 0 242.363 0.851 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)CC1(C[NH3+])CC1 ZINC000565542185 388952153 /nfs/dbraw/zinc/95/21/53/388952153.db2.gz CVJVKAFZHGBYSV-UHFFFAOYSA-N 2 0 241.379 0.916 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000565538592 388952878 /nfs/dbraw/zinc/95/28/78/388952878.db2.gz LNYANJDKNRAMEG-UWVGGRQHSA-N 2 0 215.341 0.618 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH2+]C(CC)(CC)CCO ZINC000565548989 388954544 /nfs/dbraw/zinc/95/45/44/388954544.db2.gz KRXBVDQHFBHVOK-LBPRGKRZSA-N 2 0 246.395 0.830 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccnc(C[NH3+])c1 ZINC000566099216 388986879 /nfs/dbraw/zinc/98/68/79/388986879.db2.gz YDNUZNXGAUIFNZ-SKDRFNHKSA-N 2 0 248.330 0.268 20 0 BCADRP C[C@H]1CC2(C[N@@H+]1Cc1nncn1C)CC[NH2+]CC2 ZINC000566096431 388987250 /nfs/dbraw/zinc/98/72/50/388987250.db2.gz QVCSFXFUKWQRQU-NSHDSACASA-N 2 0 249.362 0.779 20 0 BCADRP Cn1cc(C[NH2+]CC2=CC[N@H+](C)CC2)cn1 ZINC000271768615 389023649 /nfs/dbraw/zinc/02/36/49/389023649.db2.gz BCORHOLYLRWALT-UHFFFAOYSA-N 2 0 220.320 0.772 20 0 BCADRP CCN(CCO)CC[NH2+]Cc1ccn(C)c1 ZINC000274469614 389046617 /nfs/dbraw/zinc/04/66/17/389046617.db2.gz YXLOBLBVNIHFIZ-UHFFFAOYSA-N 2 0 225.336 0.429 20 0 BCADRP C([C@H]1CCOC1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257669136 533376686 /nfs/dbraw/zinc/37/66/86/533376686.db2.gz HZNBWYBUTHUGRT-NEPJUHHUSA-N 2 0 210.321 0.708 20 0 BCADRP C[C@@H](NCC[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000400674415 533394664 /nfs/dbraw/zinc/39/46/64/533394664.db2.gz VGOVPHBXTGKIBL-VXGBXAGGSA-N 2 0 211.353 0.812 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)C1CC[NH+](C)CC1 ZINC000495114967 533531295 /nfs/dbraw/zinc/53/12/95/533531295.db2.gz CXPMMCPHJLCAHB-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334270520 133609894 /nfs/dbraw/zinc/60/98/94/133609894.db2.gz FNUMYFWBHUBKCV-ZYHUDNBSSA-N 2 0 225.336 0.183 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000343468941 133685718 /nfs/dbraw/zinc/68/57/18/133685718.db2.gz ARPCBPJVNQLKCZ-MXWKQRLJSA-N 2 0 227.352 0.489 20 0 BCADRP O=C(NC1C[NH2+]C1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000335254113 133799772 /nfs/dbraw/zinc/79/97/72/133799772.db2.gz UCAJSHPVGCXEOR-UHFFFAOYSA-N 2 0 245.326 0.076 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335441522 133846900 /nfs/dbraw/zinc/84/69/00/133846900.db2.gz CYUKFOCBYNQVDA-UWVGGRQHSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335441521 133847207 /nfs/dbraw/zinc/84/72/07/133847207.db2.gz CYUKFOCBYNQVDA-NXEZZACHSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335417549 133860945 /nfs/dbraw/zinc/86/09/45/133860945.db2.gz NLQJOQNGYHPHIM-NSHDSACASA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]CC1(CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000335423728 133862732 /nfs/dbraw/zinc/86/27/32/133862732.db2.gz NJDHPTRHLUQAKU-QWRGUYRKSA-N 2 0 237.347 0.183 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)CC1CC[NH2+]CC1 ZINC000374993875 133965822 /nfs/dbraw/zinc/96/58/22/133965822.db2.gz IDCONOSGFKBKBT-VIFPVBQESA-N 2 0 213.325 0.100 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000336004270 134048527 /nfs/dbraw/zinc/04/85/27/134048527.db2.gz QDESBHKSVFOERX-GXSJLCMTSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000336032513 134058873 /nfs/dbraw/zinc/05/88/73/134058873.db2.gz SAOBIEZTGZOSOZ-AAEUAGOBSA-N 2 0 239.363 0.844 20 0 BCADRP CC[C@H](C(=O)N1CC[N@H+](C)CC[C@H]1C)[NH+](C)C ZINC000336084042 134075895 /nfs/dbraw/zinc/07/58/95/134075895.db2.gz VFEFSSXGSFJOIP-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000336103574 134084066 /nfs/dbraw/zinc/08/40/66/134084066.db2.gz KQTYALODUYBDFA-GHMZBOCLSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000336135522 134095927 /nfs/dbraw/zinc/09/59/27/134095927.db2.gz IOFKBFZFHCWVIJ-MNOVXSKESA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1CN(C(=O)C2([NH3+])CCC2)C[C@@H](C)[NH2+]1 ZINC000336214412 134136174 /nfs/dbraw/zinc/13/61/74/134136174.db2.gz NUVPZMLHWLSMDV-RKDXNWHRSA-N 2 0 211.309 0.077 20 0 BCADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000168188763 134156586 /nfs/dbraw/zinc/15/65/86/134156586.db2.gz LVPZPOVTFMCQDN-CHWFTXMASA-N 2 0 212.337 0.863 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085012743 134221639 /nfs/dbraw/zinc/22/16/39/134221639.db2.gz DMBJQQZIYCDRBZ-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169030758 134248831 /nfs/dbraw/zinc/24/88/31/134248831.db2.gz VTBDKBMVOKAFRD-AEJSXWLSSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000169240571 134250152 /nfs/dbraw/zinc/25/01/52/134250152.db2.gz YJXOSNHSJGBXNI-VXGBXAGGSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000169809166 134251810 /nfs/dbraw/zinc/25/18/10/134251810.db2.gz FECISGQEKDKAGU-PWSUYJOCSA-N 2 0 233.315 0.507 20 0 BCADRP COCCN1CCN(c2ccnc(C)n2)CC1 ZINC000174675146 134283167 /nfs/dbraw/zinc/28/31/67/134283167.db2.gz KPLOCNJTOIDHLN-UHFFFAOYSA-N 2 0 236.319 0.553 20 0 BCADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000178249557 134305222 /nfs/dbraw/zinc/30/52/22/134305222.db2.gz NSGPONINMBOALO-SKDRFNHKSA-N 2 0 249.314 0.633 20 0 BCADRP C[NH2+]CCCC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000178291269 134306167 /nfs/dbraw/zinc/30/61/67/134306167.db2.gz TZXGWCQTKLRITK-LLVKDONJSA-N 2 0 229.368 0.818 20 0 BCADRP [NH3+]C1(C(=O)NC[C@H]2CCC[NH2+]2)CCCC1 ZINC000178406583 134309961 /nfs/dbraw/zinc/30/99/61/134309961.db2.gz JXFWVTFRBQWMPB-SECBINFHSA-N 2 0 211.309 0.126 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000178407065 134310099 /nfs/dbraw/zinc/31/00/99/134310099.db2.gz ZLWKPHYMMPWRAF-GXSJLCMTSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000178408612 134310205 /nfs/dbraw/zinc/31/02/05/134310205.db2.gz BFNGDJMMEZNFHK-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH+]1CCC(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000178787367 134311192 /nfs/dbraw/zinc/31/11/92/134311192.db2.gz NZTVQCGOEPMKJI-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000178707707 134313296 /nfs/dbraw/zinc/31/32/96/134313296.db2.gz XFGHGZNCECXSTK-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP CCCN(C(=O)[C@@H](C)C[NH2+]C)[C@@H]1CC[NH2+]C1 ZINC000178915261 134313386 /nfs/dbraw/zinc/31/33/86/134313386.db2.gz UZQDIRYTPIDMFI-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP NC(=O)C[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178976315 134314066 /nfs/dbraw/zinc/31/40/66/134314066.db2.gz MNEWSRWRXIBRJO-LBPRGKRZSA-N 2 0 239.363 0.573 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178807114 134315402 /nfs/dbraw/zinc/31/54/02/134315402.db2.gz FTORPNIUFBEDBG-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@H]1C[C@H](N(C)C(=O)CCC[NH3+])CC[N@@H+]1C ZINC000178816112 134315463 /nfs/dbraw/zinc/31/54/63/134315463.db2.gz SMDSNDWVJDQHSV-WDEREUQCSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@@H](NC(=O)CCC[NH3+])C(C)(C)C[NH+](C)C ZINC000178818273 134315796 /nfs/dbraw/zinc/31/57/96/134315796.db2.gz JJHLSEVWIOSHQR-SNVBAGLBSA-N 2 0 229.368 0.818 20 0 BCADRP C[C@H](NC(=O)CCC[NH3+])C(C)(C)C[NH+](C)C ZINC000178818265 134315819 /nfs/dbraw/zinc/31/58/19/134315819.db2.gz JJHLSEVWIOSHQR-JTQLQIEISA-N 2 0 229.368 0.818 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000178867256 134316319 /nfs/dbraw/zinc/31/63/19/134316319.db2.gz AEDKBIUBNWOWIL-HRDYMLBCSA-N 2 0 211.309 0.075 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000179197051 134318236 /nfs/dbraw/zinc/31/82/36/134318236.db2.gz COSLYYPQMOXGIB-YEJSDXFRSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000221979181 134327384 /nfs/dbraw/zinc/32/73/84/134327384.db2.gz LVOXDRIPWAIJOE-NWDGAFQWSA-N 2 0 241.379 0.831 20 0 BCADRP COC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223730668 134339066 /nfs/dbraw/zinc/33/90/66/134339066.db2.gz NBQQTYNYGSKULV-GARJFASQSA-N 2 0 216.325 0.066 20 0 BCADRP COC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223730609 134339188 /nfs/dbraw/zinc/33/91/88/134339188.db2.gz NBQQTYNYGSKULV-HBNTYKKESA-N 2 0 216.325 0.066 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000184958425 134371786 /nfs/dbraw/zinc/37/17/86/134371786.db2.gz BYPSLCXZADMHIZ-AXFHLTTASA-N 2 0 225.336 0.182 20 0 BCADRP COC[C@@H](O)CC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000227877229 134391553 /nfs/dbraw/zinc/39/15/53/134391553.db2.gz ZMECBEZAELZLLF-ZDUSSCGKSA-N 2 0 244.379 0.846 20 0 BCADRP COC[C@H](O)CC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000227877237 134391598 /nfs/dbraw/zinc/39/15/98/134391598.db2.gz ZMECBEZAELZLLF-CYBMUJFWSA-N 2 0 244.379 0.846 20 0 BCADRP CC[C@@]1(C(=O)N[C@H](C)CC[NH+](C)C)CC[NH2+]C1 ZINC000062901838 134458198 /nfs/dbraw/zinc/45/81/98/134458198.db2.gz BTLFTYIIAQBXIR-DGCLKSJQSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062972291 134464170 /nfs/dbraw/zinc/46/41/70/134464170.db2.gz VJWQHOQVGHCDCY-WDEREUQCSA-N 2 0 227.352 0.522 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559666 134634424 /nfs/dbraw/zinc/63/44/24/134634424.db2.gz RJCWQZRYXUGVFG-QWRGUYRKSA-N 2 0 229.368 0.816 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000154496695 134671270 /nfs/dbraw/zinc/67/12/70/134671270.db2.gz QQOVOALGKXUBKU-JTQLQIEISA-N 2 0 227.352 0.762 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000155773251 134696992 /nfs/dbraw/zinc/69/69/92/134696992.db2.gz QUKIYEDIFUYKGJ-RYUDHWBXSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136205664 134786132 /nfs/dbraw/zinc/78/61/32/134786132.db2.gz CWSDBBCHQQOKJH-AAEUAGOBSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@@H](COC)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000070658491 135006669 /nfs/dbraw/zinc/00/66/69/135006669.db2.gz HOSWVCBTMXTGBU-RYUDHWBXSA-N 2 0 230.352 0.458 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]C3)C[C@@H]12 ZINC000248602722 135015700 /nfs/dbraw/zinc/01/57/00/135015700.db2.gz JHZBOLDMPYWUIH-DDHJBXDOSA-N 2 0 237.347 0.182 20 0 BCADRP O[C@@H](C[NH2+][C@@H]1CCCOC1)C[NH+]1CCCC1 ZINC000071013811 135017921 /nfs/dbraw/zinc/01/79/21/135017921.db2.gz VCDARDRTDXJGJA-NEPJUHHUSA-N 2 0 228.336 0.212 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248665838 135018797 /nfs/dbraw/zinc/01/87/97/135018797.db2.gz WIUINXFEVXUODW-MMWGEVLESA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[NH2+]CC3CC3)C[C@H]12 ZINC000248703142 135019654 /nfs/dbraw/zinc/01/96/54/135019654.db2.gz ZZTVLPUSOXTSGT-GRYCIOLGSA-N 2 0 237.347 0.182 20 0 BCADRP CC[C@]1(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CCC[NH2+]1 ZINC000248766897 135021726 /nfs/dbraw/zinc/02/17/26/135021726.db2.gz XBQLLIWWLCYNLL-GMXVVIOVSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000249017544 135029667 /nfs/dbraw/zinc/02/96/67/135029667.db2.gz KGJQZTPBGJKGCF-LADJIXMOSA-N 2 0 225.336 0.165 20 0 BCADRP COC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250458324 135055188 /nfs/dbraw/zinc/05/51/88/135055188.db2.gz JVLXHWZWFXBPOR-SDDRHHMPSA-N 2 0 228.336 0.210 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250508388 135056251 /nfs/dbraw/zinc/05/62/51/135056251.db2.gz NEDBOTFYFXONFR-FRRDWIJNSA-N 2 0 242.363 0.600 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251388374 135071664 /nfs/dbraw/zinc/07/16/64/135071664.db2.gz SVFVKHKJNNADDZ-NWDGAFQWSA-N 2 0 239.363 0.811 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000238063314 135073756 /nfs/dbraw/zinc/07/37/56/135073756.db2.gz XYQHIHFTDKEOQI-QWRGUYRKSA-N 2 0 225.336 0.326 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CCCO1 ZINC000086435485 135084085 /nfs/dbraw/zinc/08/40/85/135084085.db2.gz FPCSNFNSLCETJF-JTQLQIEISA-N 2 0 202.298 0.073 20 0 BCADRP CC[C@H]1CO[C@H](C)C[N@@H+]1CCOCC[NH3+] ZINC000086435478 135084194 /nfs/dbraw/zinc/08/41/94/135084194.db2.gz SQCBPYFKOICROT-MNOVXSKESA-N 2 0 216.325 0.461 20 0 BCADRP CC(C)C[NH+]1CCN(CCOCC[NH3+])CC1 ZINC000086435693 135084222 /nfs/dbraw/zinc/08/42/22/135084222.db2.gz OQGFQFJPQJBOQW-UHFFFAOYSA-N 2 0 229.368 0.235 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000252429771 135089127 /nfs/dbraw/zinc/08/91/27/135089127.db2.gz DBBJGEUQUUHWJV-JBLDHEPKSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000252651162 135093476 /nfs/dbraw/zinc/09/34/76/135093476.db2.gz AFZNZXOUAQGLLL-WOPDTQHZSA-N 2 0 241.379 0.831 20 0 BCADRP CCOC(=O)C[N@H+](C)CC1CC[NH2+]CC1 ZINC000086702870 135095480 /nfs/dbraw/zinc/09/54/80/135095480.db2.gz LLWCFZCEJUYXMH-UHFFFAOYSA-N 2 0 214.309 0.481 20 0 BCADRP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252698184 135098024 /nfs/dbraw/zinc/09/80/24/135098024.db2.gz LMYACUBMOAPZPS-WOPDTQHZSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H](C)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000252709901 135099288 /nfs/dbraw/zinc/09/92/88/135099288.db2.gz FDTUFZJAQZFWJE-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000252709196 135099842 /nfs/dbraw/zinc/09/98/42/135099842.db2.gz CGIFUJONGZLMAW-UTUOFQBUSA-N 2 0 244.404 0.784 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CCOCC12CC2 ZINC000261532343 135109042 /nfs/dbraw/zinc/10/90/42/135109042.db2.gz AGXGUNSWIUEKIP-UHFFFAOYSA-N 2 0 210.321 0.851 20 0 BCADRP CCC[C@@H]1CN(CC[NH3+])CC[N@@H+]1CCOC ZINC000261568719 135110449 /nfs/dbraw/zinc/11/04/49/135110449.db2.gz FUDDCQGKBDRDKZ-GFCCVEGCSA-N 2 0 229.368 0.378 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000252870034 135113782 /nfs/dbraw/zinc/11/37/82/135113782.db2.gz SEKHVCHGISJFOL-LPEHRKFASA-N 2 0 213.325 0.038 20 0 BCADRP CC(C)([NH3+])CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000252977970 135118357 /nfs/dbraw/zinc/11/83/57/135118357.db2.gz XIAKMJBWAAIRED-GUBZILKMSA-N 2 0 225.336 0.310 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253194571 135123810 /nfs/dbraw/zinc/12/38/10/135123810.db2.gz QHEVVPLKUDQDTG-GHMZBOCLSA-N 2 0 228.336 0.856 20 0 BCADRP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000253284919 135126059 /nfs/dbraw/zinc/12/60/59/135126059.db2.gz NGZLZRVQBVTSHD-OUAUKWLOSA-N 2 0 200.326 0.687 20 0 BCADRP COCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000259150232 135137251 /nfs/dbraw/zinc/13/72/51/135137251.db2.gz FGBCDZYXTOJICU-GFCCVEGCSA-N 2 0 212.337 0.954 20 0 BCADRP O=C([C@H]1CC[NH2+]C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257725678 135141182 /nfs/dbraw/zinc/14/11/82/135141182.db2.gz WJPDTHZPIKVZFH-WCQYABFASA-N 2 0 237.347 0.198 20 0 BCADRP C(C1CC1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000257727220 135141221 /nfs/dbraw/zinc/14/12/21/135141221.db2.gz QLBRLKOBZIZWMU-GFCCVEGCSA-N 2 0 209.337 0.376 20 0 BCADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000261294431 135150622 /nfs/dbraw/zinc/15/06/22/135150622.db2.gz SUZKZFIPYJKDMC-JQWIXIFHSA-N 2 0 208.305 0.999 20 0 BCADRP OC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC[NH2+]CC1 ZINC000087647884 135160761 /nfs/dbraw/zinc/16/07/61/135160761.db2.gz YZURTVJVUODJLC-FUNVUKJBSA-N 2 0 224.348 0.974 20 0 BCADRP OC[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000087647768 135161377 /nfs/dbraw/zinc/16/13/77/135161377.db2.gz NXDQNGFKESQANV-LBPRGKRZSA-N 2 0 212.337 0.690 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@H]1O ZINC000261533450 135164870 /nfs/dbraw/zinc/16/48/70/135164870.db2.gz BAGOVGAEKNFATB-IJLUTSLNSA-N 2 0 212.337 0.689 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000261534532 135167765 /nfs/dbraw/zinc/16/77/65/135167765.db2.gz RVQQMYVYWKRONE-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CC[NH3+] ZINC000261535172 135168462 /nfs/dbraw/zinc/16/84/62/135168462.db2.gz NYPAJCPAHYEYSM-SNVBAGLBSA-N 2 0 201.314 0.215 20 0 BCADRP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C)[C@H](C)[NH3+] ZINC000261536827 135173344 /nfs/dbraw/zinc/17/33/44/135173344.db2.gz TWKJCGDIAOIBMA-KXUCPTDWSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000261539354 135177779 /nfs/dbraw/zinc/17/77/79/135177779.db2.gz CEUZSGZCLXWSJZ-TUAOUCFPSA-N 2 0 211.353 0.668 20 0 BCADRP CC[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H]1O ZINC000261539794 135178851 /nfs/dbraw/zinc/17/88/51/135178851.db2.gz DDTZQKOGGKUYAH-NWDGAFQWSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000261540143 135179630 /nfs/dbraw/zinc/17/96/30/135179630.db2.gz DWKWFORBWOYJLU-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261541550 135181724 /nfs/dbraw/zinc/18/17/24/135181724.db2.gz BHQAISVPGMWZLQ-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@H]1CCC[NH2+]C1 ZINC000261541763 135181796 /nfs/dbraw/zinc/18/17/96/135181796.db2.gz GETRFOAAFYPUNB-TUAOUCFPSA-N 2 0 211.353 0.668 20 0 BCADRP C[N@H+](CCn1cncn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261543006 135184225 /nfs/dbraw/zinc/18/42/25/135184225.db2.gz CODLGRTUWATWRQ-FOSCPWQOSA-N 2 0 235.335 0.493 20 0 BCADRP C[C@@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@H]1[NH3+] ZINC000261544098 135185166 /nfs/dbraw/zinc/18/51/66/135185166.db2.gz WQPJNAYVUIDYOD-BXKDBHETSA-N 2 0 233.315 0.565 20 0 BCADRP C[C@@H]1COCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261545079 135186545 /nfs/dbraw/zinc/18/65/45/135186545.db2.gz JOKKITZUDDUNRA-NWDGAFQWSA-N 2 0 212.337 0.954 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000261549705 135188201 /nfs/dbraw/zinc/18/82/01/135188201.db2.gz PBRWSMIVJMSTBW-JTQLQIEISA-N 2 0 213.325 0.502 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)CC[C@H](C)[NH3+] ZINC000261552496 135191573 /nfs/dbraw/zinc/19/15/73/135191573.db2.gz RNSUDYNVKPYQHO-VHSXEESVSA-N 2 0 215.341 0.748 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000084221026 135193851 /nfs/dbraw/zinc/19/38/51/135193851.db2.gz ABQALDPPKGBVKO-LOWVWBTDSA-N 2 0 223.364 0.940 20 0 BCADRP CN(C)c1nccc(N2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000261555603 135195064 /nfs/dbraw/zinc/19/50/64/135195064.db2.gz BMLBWDUHISXWKJ-QWRGUYRKSA-N 2 0 247.346 0.588 20 0 BCADRP CN(C)c1nccc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000261555602 135195251 /nfs/dbraw/zinc/19/52/51/135195251.db2.gz BMLBWDUHISXWKJ-MNOVXSKESA-N 2 0 247.346 0.588 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH3+])C1 ZINC000261555490 135195432 /nfs/dbraw/zinc/19/54/32/135195432.db2.gz VBTPBPFKXVDSAC-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000261558563 135199763 /nfs/dbraw/zinc/19/97/63/135199763.db2.gz YLCHSNKGOSQXPL-UTUOFQBUSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000261562316 135203717 /nfs/dbraw/zinc/20/37/17/135203717.db2.gz BFNXYOQBTDZJRA-GUBZILKMSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000261563462 135204968 /nfs/dbraw/zinc/20/49/68/135204968.db2.gz BWOCUBSAEATSKK-OPRDCNLKSA-N 2 0 213.325 0.167 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000261564170 135206308 /nfs/dbraw/zinc/20/63/08/135206308.db2.gz CIPONYBJCYJONS-LLVKDONJSA-N 3 0 215.341 0.165 20 0 BCADRP CCCN(C(=O)[C@H](C)C[NH3+])[C@@H]1CC[NH2+]C1 ZINC000261565202 135206909 /nfs/dbraw/zinc/20/69/09/135206909.db2.gz CXUIFOQZGQMCFZ-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH3+])CN(CC[NH3+])Cc1ccccc1 ZINC000261566377 135208616 /nfs/dbraw/zinc/20/86/16/135208616.db2.gz DKNHFQORMDFJQV-NSHDSACASA-N 2 0 207.321 0.795 20 0 BCADRP C[C@@H]([NH3+])CN1CC[NH2+]Cc2ccccc21 ZINC000261568451 135210169 /nfs/dbraw/zinc/21/01/69/135210169.db2.gz FPXFFDCTRMFPHF-SNVBAGLBSA-N 2 0 205.305 0.943 20 0 BCADRP CC[NH+](CC)CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000084381432 135215901 /nfs/dbraw/zinc/21/59/01/135215901.db2.gz MIUJPINEWZJFBL-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)CC[C@H](C)[NH3+] ZINC000261575052 135216940 /nfs/dbraw/zinc/21/69/40/135216940.db2.gz JOIHYONTAGUCIP-VIFPVBQESA-N 2 0 215.341 0.748 20 0 BCADRP CNC(=O)[C@@H]1CCCN(CC(C)(C)[NH3+])C1 ZINC000261576325 135217624 /nfs/dbraw/zinc/21/76/24/135217624.db2.gz KGULJSJDXRVCPU-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000261577300 135218522 /nfs/dbraw/zinc/21/85/22/135218522.db2.gz KYFPEBCMPZFZOY-IVZWLZJFSA-N 2 0 215.341 0.603 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC ZINC000261577839 135218888 /nfs/dbraw/zinc/21/88/88/135218888.db2.gz LLFCTMAUORXYPC-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+]CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000261579873 135221030 /nfs/dbraw/zinc/22/10/30/135221030.db2.gz MNDBTIZDQUQOJW-VHSXEESVSA-N 2 0 213.325 0.359 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC(C)(C)C[NH3+] ZINC000261582700 135223131 /nfs/dbraw/zinc/22/31/31/135223131.db2.gz ONVPTZGRTOACMU-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](CCn2cncn2)CC1 ZINC000261583806 135224771 /nfs/dbraw/zinc/22/47/71/135224771.db2.gz PFPXUSZAGHOZSN-JTQLQIEISA-N 2 0 223.324 0.337 20 0 BCADRP [NH3+]CCC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000261584187 135224897 /nfs/dbraw/zinc/22/48/97/135224897.db2.gz PNNRQKBBLYMQDI-JTQLQIEISA-N 2 0 213.325 0.359 20 0 BCADRP C[C@@H]1C[C@H](C)C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000164380876 135225378 /nfs/dbraw/zinc/22/53/78/135225378.db2.gz VOLIIZQXENCANE-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH+](CC)CCO[C@H]1CCN(CC[NH3+])C1 ZINC000261587962 135228637 /nfs/dbraw/zinc/22/86/37/135228637.db2.gz SAIIHLVSCUPMIZ-LBPRGKRZSA-N 2 0 229.368 0.378 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000261588256 135229243 /nfs/dbraw/zinc/22/92/43/135229243.db2.gz SHHHJJUUVZIRLW-NSHDSACASA-N 2 0 214.309 0.074 20 0 BCADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CC[NH2+]CC1 ZINC000261588558 135229370 /nfs/dbraw/zinc/22/93/70/135229370.db2.gz SKSJFTQXZMHEOT-MNOVXSKESA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H]2CCCC[NH2+]2)CCC1 ZINC000261588890 135229531 /nfs/dbraw/zinc/22/95/31/135229531.db2.gz SSLGLXJBIBEOFB-SECBINFHSA-N 2 0 211.309 0.126 20 0 BCADRP C[C@H]([NH3+])CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000261591685 135231867 /nfs/dbraw/zinc/23/18/67/135231867.db2.gz VMDBDEWNDUFIPB-JQWIXIFHSA-N 2 0 211.353 0.655 20 0 BCADRP C(C1CCOCC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261593453 135233753 /nfs/dbraw/zinc/23/37/53/135233753.db2.gz WWZZCQROCBYQLC-OLZOCXBDSA-N 2 0 224.348 0.954 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(C)(C)C[NH3+] ZINC000261594243 135234455 /nfs/dbraw/zinc/23/44/55/135234455.db2.gz XJCFGBWOIFLKRP-RKDXNWHRSA-N 2 0 213.325 0.086 20 0 BCADRP COC(=O)C(C)(C)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000261595396 135235010 /nfs/dbraw/zinc/23/50/10/135235010.db2.gz YBEXZBUGZLAQBH-JTQLQIEISA-N 2 0 228.336 0.917 20 0 BCADRP COC(=O)C(C)(C)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000261595397 135235152 /nfs/dbraw/zinc/23/51/52/135235152.db2.gz YBEXZBUGZLAQBH-SNVBAGLBSA-N 2 0 228.336 0.917 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000261596841 135236553 /nfs/dbraw/zinc/23/65/53/135236553.db2.gz YYTVDJDMBXZDTR-SGIHWFKDSA-N 2 0 213.325 0.084 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261597530 135237156 /nfs/dbraw/zinc/23/71/56/135237156.db2.gz ZEQKHBWKCREWCD-RKDXNWHRSA-N 2 0 213.325 0.213 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C[C@H]1CCC[NH2+]C1 ZINC000261547035 135239428 /nfs/dbraw/zinc/23/94/28/135239428.db2.gz LPZUZZDKHVJOHQ-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP C[N@H+](C[C@@H]1CCOC1)C[C@@]1(C)CC[NH2+]C1 ZINC000261547166 135240075 /nfs/dbraw/zinc/24/00/75/135240075.db2.gz LYOZCIQPKAIBEK-RYUDHWBXSA-N 2 0 212.337 0.954 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000261547565 135240349 /nfs/dbraw/zinc/24/03/49/135240349.db2.gz MLXCNHDGTGHAPQ-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000261547765 135240740 /nfs/dbraw/zinc/24/07/40/135240740.db2.gz MSJKLBRGOSXPHI-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000261548158 135241472 /nfs/dbraw/zinc/24/14/72/135241472.db2.gz NEYRBIOJBOJAAJ-UTUOFQBUSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@@]1(C[NH3+])CC[N@H+](CCN2CCCC2=O)C1 ZINC000261651232 135242259 /nfs/dbraw/zinc/24/22/59/135242259.db2.gz FCUPBPXKLGWLFW-LBPRGKRZSA-N 2 0 225.336 0.280 20 0 BCADRP C[C@@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])[NH+](C)C ZINC000261643528 135242888 /nfs/dbraw/zinc/24/28/88/135242888.db2.gz CUXUYHMLJIDIRR-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@]1(C[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261687605 135246088 /nfs/dbraw/zinc/24/60/88/135246088.db2.gz AQLOHXXXPTZXNY-JQWIXIFHSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000261707923 135246882 /nfs/dbraw/zinc/24/68/82/135246882.db2.gz DFEVBKWXABMSIF-GARJFASQSA-N 2 0 227.352 0.713 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C[C@H](C)[NH3+])C1 ZINC000261719307 135247320 /nfs/dbraw/zinc/24/73/20/135247320.db2.gz FBBPYJLETUVEEI-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP COC(=O)[C@]1(C)CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261716678 135247769 /nfs/dbraw/zinc/24/77/69/135247769.db2.gz FFKNHJZTGJLLBK-QWHCGFSZSA-N 2 0 240.347 0.871 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000084419810 135248654 /nfs/dbraw/zinc/24/86/54/135248654.db2.gz LCWCOYLCXJVALA-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000261750205 135250001 /nfs/dbraw/zinc/25/00/01/135250001.db2.gz IZTKAKLRMOSICY-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP C[N@H+]1C[C@H]2CN(C[C@@]3(C)CC[NH2+]C3)C[C@H]2C1 ZINC000261772782 135251397 /nfs/dbraw/zinc/25/13/97/135251397.db2.gz MUJLZBHHEFWKMM-XQQFMLRXSA-N 3 0 223.364 0.479 20 0 BCADRP O=C1C[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)CN1 ZINC000261766553 135251430 /nfs/dbraw/zinc/25/14/30/135251430.db2.gz DIXGOSRPBNQPLK-CYBMUJFWSA-N 2 0 237.347 0.198 20 0 BCADRP COCCO[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261772040 135251457 /nfs/dbraw/zinc/25/14/57/135251457.db2.gz DSJCYQORRSEPIX-CYBMUJFWSA-N 2 0 242.363 0.723 20 0 BCADRP COCCO[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261772045 135251653 /nfs/dbraw/zinc/25/16/53/135251653.db2.gz DSJCYQORRSEPIX-ZDUSSCGKSA-N 2 0 242.363 0.723 20 0 BCADRP [NH3+]CCN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261788248 135252604 /nfs/dbraw/zinc/25/26/04/135252604.db2.gz PYDJDVASXVWMHV-NWDGAFQWSA-N 2 0 205.305 0.372 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000261822447 135255457 /nfs/dbraw/zinc/25/54/57/135255457.db2.gz MPHLRUYFWIARJI-VWYCJHECSA-N 2 0 227.352 0.522 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261812773 135255592 /nfs/dbraw/zinc/25/55/92/135255592.db2.gz HBVUTVAUGOWZHF-AAEUAGOBSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000261830889 135256080 /nfs/dbraw/zinc/25/60/80/135256080.db2.gz NDMSVVJZWIYGER-GARJFASQSA-N 2 0 227.352 0.665 20 0 BCADRP C[C@H](CNC(=O)C[C@H](C)[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000261852165 135257126 /nfs/dbraw/zinc/25/71/26/135257126.db2.gz OVLWCLIQVQONAC-SDDRHHMPSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000261860069 135257817 /nfs/dbraw/zinc/25/78/17/135257817.db2.gz POGKKVMNTFOBMG-HBNTYKKESA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000261871361 135258984 /nfs/dbraw/zinc/25/89/84/135258984.db2.gz QRUQHTRXGNOSKN-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000261871364 135259265 /nfs/dbraw/zinc/25/92/65/135259265.db2.gz QRUQHTRXGNOSKN-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H](C(=O)NCC1C[NH2+]C1)[NH+]1CCCCCC1 ZINC000261883695 135260048 /nfs/dbraw/zinc/26/00/48/135260048.db2.gz ATLKRLXOWCZPKQ-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261890817 135260852 /nfs/dbraw/zinc/26/08/52/135260852.db2.gz VDNATQLNZIQSBR-WHOHXGKFSA-N 2 0 239.363 0.713 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261916270 135262440 /nfs/dbraw/zinc/26/24/40/135262440.db2.gz YWJOOAXGZPZDIZ-WDEREUQCSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000261926129 135263360 /nfs/dbraw/zinc/26/33/60/135263360.db2.gz YGJFETHYWIAECK-GFCCVEGCSA-N 2 0 249.358 0.972 20 0 BCADRP CNC(=O)[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261925972 135263525 /nfs/dbraw/zinc/26/35/25/135263525.db2.gz CFHWTKRDQSEXFZ-WCQYABFASA-N 2 0 239.363 0.444 20 0 BCADRP CNC(=O)[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261925967 135263851 /nfs/dbraw/zinc/26/38/51/135263851.db2.gz CFHWTKRDQSEXFZ-AAEUAGOBSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000261943113 135264813 /nfs/dbraw/zinc/26/48/13/135264813.db2.gz NVNCJDMYTLVMIH-FOGDFJRCSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[NH+](C)C ZINC000261958790 135265777 /nfs/dbraw/zinc/26/57/77/135265777.db2.gz MFZBVDHPIVWYML-SRVKXCTJSA-N 2 0 241.379 0.768 20 0 BCADRP C[C@]1(C[N@@H+]2CCC[C@H](OCCO)C2)CC[NH2+]C1 ZINC000261980322 135268705 /nfs/dbraw/zinc/26/87/05/135268705.db2.gz JCHNLJYVEHMOLC-STQMWFEESA-N 2 0 242.363 0.459 20 0 BCADRP C[NH+](C)[C@H](CNC1=[NH+]CCCN1)C1CC1 ZINC000261987027 135269845 /nfs/dbraw/zinc/26/98/45/135269845.db2.gz QINWDEQCEJNBPF-SNVBAGLBSA-N 2 0 210.325 0.266 20 0 BCADRP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@H](C(N)=O)C1 ZINC000262018918 135273106 /nfs/dbraw/zinc/27/31/06/135273106.db2.gz VZETWEFNJQODHS-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP COC(=O)[C@@H]1CC12CCN(CC(C)(C)[NH3+])CC2 ZINC000262028090 135274268 /nfs/dbraw/zinc/27/42/68/135274268.db2.gz WWAQIUFVPUACOY-JTQLQIEISA-N 2 0 240.347 0.999 20 0 BCADRP CC[C@@H](C(=O)N[C@H]1CCC[NH2+]C1)[NH+](CC)CC ZINC000262039377 135275147 /nfs/dbraw/zinc/27/51/47/135275147.db2.gz RKKRBYISKHHQFE-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000262049246 135275544 /nfs/dbraw/zinc/27/55/44/135275544.db2.gz UVRWCPIYCBODNB-QWRGUYRKSA-N 2 0 227.352 0.522 20 0 BCADRP O=c1cc2c(n[nH]1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000262044238 135275684 /nfs/dbraw/zinc/27/56/84/135275684.db2.gz YTKBPURGZSWYBJ-UHFFFAOYSA-N 2 0 248.330 0.128 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000262174561 135283678 /nfs/dbraw/zinc/28/36/78/135283678.db2.gz DQRCFUPCKUOATI-ZDUSSCGKSA-N 2 0 241.379 0.962 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000262174559 135283908 /nfs/dbraw/zinc/28/39/08/135283908.db2.gz DQRCFUPCKUOATI-CYBMUJFWSA-N 2 0 241.379 0.962 20 0 BCADRP O=C(C1C[NH2+]C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262170413 135284049 /nfs/dbraw/zinc/28/40/49/135284049.db2.gz CGKXTSXNMQWTDD-LLVKDONJSA-N 2 0 237.347 0.150 20 0 BCADRP COc1ccccc1[C@H]1C[NH2+]CCN1C[C@@H](C)[NH3+] ZINC000262177755 135284118 /nfs/dbraw/zinc/28/41/18/135284118.db2.gz IKHKMLUSXKLPLC-DGCLKSJQSA-N 2 0 249.358 0.989 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CCC[C@H]2C[NH3+])CCCC[NH2+]1 ZINC000262246791 135287622 /nfs/dbraw/zinc/28/76/22/135287622.db2.gz PQTTWQPRUXKRCD-GMXVVIOVSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262266757 135289140 /nfs/dbraw/zinc/28/91/40/135289140.db2.gz RZFKCVWEAAEDQT-GHMZBOCLSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000262310263 135292366 /nfs/dbraw/zinc/29/23/66/135292366.db2.gz CVBUHGYYGBGMFM-NEPJUHHUSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000262310246 135292386 /nfs/dbraw/zinc/29/23/86/135292386.db2.gz CUUIPRXGVNIRAA-GHMZBOCLSA-N 2 0 227.352 0.429 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000262336172 135293785 /nfs/dbraw/zinc/29/37/85/135293785.db2.gz HGWJTYRQXKABDG-WOPDTQHZSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000262334996 135294024 /nfs/dbraw/zinc/29/40/24/135294024.db2.gz HDQCGLWQPYEMKQ-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000262349081 135294879 /nfs/dbraw/zinc/29/48/79/135294879.db2.gz ITTVZBIRZWLGKM-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C1([NH3+])CCCC1 ZINC000262403287 135295106 /nfs/dbraw/zinc/29/51/06/135295106.db2.gz AFMNRKRTOQAMJM-JTQLQIEISA-N 2 0 227.352 0.892 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C1([NH3+])CCCCC1)C1CC1 ZINC000262409919 135295407 /nfs/dbraw/zinc/29/54/07/135295407.db2.gz DAZKBFGDWYTFBM-SNVBAGLBSA-N 2 0 225.336 0.502 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000262426579 135296106 /nfs/dbraw/zinc/29/61/06/135296106.db2.gz HRIKTGCMUZAKRR-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C[NH3+])[C@@H](C)C1 ZINC000262375947 135298103 /nfs/dbraw/zinc/29/81/03/135298103.db2.gz MIGYNGXEIVTMSB-WOPDTQHZSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)C[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000262394728 135298727 /nfs/dbraw/zinc/29/87/27/135298727.db2.gz OSIOCCSSRVXYOR-GRYCIOLGSA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+]C1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000262477260 135301790 /nfs/dbraw/zinc/30/17/90/135301790.db2.gz QNBRJKJZNOQHGO-PHIMTYICSA-N 2 0 237.347 0.326 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH3+])CCC1 ZINC000342607711 135302573 /nfs/dbraw/zinc/30/25/73/135302573.db2.gz OJJOEVCCYYTIDA-QWRGUYRKSA-N 2 0 239.363 0.857 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342606392 135303047 /nfs/dbraw/zinc/30/30/47/135303047.db2.gz LOWUMPTZVVQZEC-LOWVWBTDSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000262543957 135305672 /nfs/dbraw/zinc/30/56/72/135305672.db2.gz YNCVCFFLPPRNBW-MNOVXSKESA-N 2 0 227.352 0.441 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000262586420 135307045 /nfs/dbraw/zinc/30/70/45/135307045.db2.gz SOVFRBKNRGWGGD-JQWIXIFHSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000262610490 135308418 /nfs/dbraw/zinc/30/84/18/135308418.db2.gz DOGCZEZXTZFQLK-SUZMYJTESA-N 2 0 239.363 0.748 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000262611961 135308428 /nfs/dbraw/zinc/30/84/28/135308428.db2.gz FBHBDHOBOYIPFV-VLEAKVRGSA-N 2 0 227.352 0.603 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH2+]C1 ZINC000342745127 135310508 /nfs/dbraw/zinc/31/05/08/135310508.db2.gz UNTJIRDDQZZKPR-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP C[C@@]1(CNC(=O)C[C@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000342751038 135310922 /nfs/dbraw/zinc/31/09/22/135310922.db2.gz ZYUBVWSSPJISEU-DGCLKSJQSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC000342751640 135311158 /nfs/dbraw/zinc/31/11/58/135311158.db2.gz OBRXCUBJSBBHBU-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342752395 135311253 /nfs/dbraw/zinc/31/12/53/135311253.db2.gz ONPGZGZMKDEWIG-BJDJZHNGSA-N 2 0 239.363 0.700 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342746861 135311327 /nfs/dbraw/zinc/31/13/27/135311327.db2.gz VTJZTWMGEBPNBR-PWSUYJOCSA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342746016 135311411 /nfs/dbraw/zinc/31/14/11/135311411.db2.gz VEVLQBVWECOOAC-MFKMUULPSA-N 2 0 241.379 0.866 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342752398 135311466 /nfs/dbraw/zinc/31/14/66/135311466.db2.gz ONPGZGZMKDEWIG-YFKTTZPYSA-N 2 0 239.363 0.700 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000262655717 135312209 /nfs/dbraw/zinc/31/22/09/135312209.db2.gz CSDXONQYWIVISF-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1CC[NH2+]C1 ZINC000342721119 135314854 /nfs/dbraw/zinc/31/48/54/135314854.db2.gz SPPSKXSWYLMGPP-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000262828995 135321161 /nfs/dbraw/zinc/32/11/61/135321161.db2.gz URFRQANPOQSWRB-HBNTYKKESA-N 2 0 225.336 0.337 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000262902617 135323056 /nfs/dbraw/zinc/32/30/56/135323056.db2.gz DSORFYSMCVXKQP-FOGDFJRCSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000262919734 135324273 /nfs/dbraw/zinc/32/42/73/135324273.db2.gz ZGPLPSVBFHBPSL-NQBHXWOUSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+]CCN(CCN1CCOCC1)c1ccccc1 ZINC000262992673 135325720 /nfs/dbraw/zinc/32/57/20/135325720.db2.gz NXGAMPIAKUDDIK-UHFFFAOYSA-N 2 0 249.358 0.784 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000262967461 135325902 /nfs/dbraw/zinc/32/59/02/135325902.db2.gz LJWRALONOTUNFD-GVXVVHGQSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000263094691 135333018 /nfs/dbraw/zinc/33/30/18/135333018.db2.gz YVFPDXNLNZQEHC-ZYHUDNBSSA-N 2 0 225.336 0.326 20 0 BCADRP CN(C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])[C@H]1CC[NH2+]C1 ZINC000263260530 135343397 /nfs/dbraw/zinc/34/33/97/135343397.db2.gz QVOYPDQAPZXVKX-GMXVVIOVSA-N 2 0 239.363 0.714 20 0 BCADRP CN(C(=O)[C@@H]1CCCC[C@]1(C)[NH3+])[C@@H]1CC[NH2+]C1 ZINC000263260532 135343706 /nfs/dbraw/zinc/34/37/06/135343706.db2.gz QVOYPDQAPZXVKX-MDZLAQPJSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CC[NH3+] ZINC000263299478 135345414 /nfs/dbraw/zinc/34/54/14/135345414.db2.gz YYUZBYGLQPNPIQ-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000334320824 135352397 /nfs/dbraw/zinc/35/23/97/135352397.db2.gz HEZWMCVVNYNXEO-CYBMUJFWSA-N 2 0 223.364 0.671 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000083884169 135459732 /nfs/dbraw/zinc/45/97/32/135459732.db2.gz KXUZZRJKVNNDIN-LLVKDONJSA-N 2 0 225.336 0.422 20 0 BCADRP [NH3+]CC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000083884164 135459880 /nfs/dbraw/zinc/45/98/80/135459880.db2.gz CAEKXWHNFOSNQV-JTQLQIEISA-N 2 0 211.309 0.032 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085355656 135482039 /nfs/dbraw/zinc/48/20/39/135482039.db2.gz NXSZXTAHMWZUJQ-MNOVXSKESA-N 2 0 241.379 0.818 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085373093 135482752 /nfs/dbraw/zinc/48/27/52/135482752.db2.gz UDNWSYUMRNHIDP-NEPJUHHUSA-N 2 0 239.363 0.572 20 0 BCADRP CCOCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086723819 135494837 /nfs/dbraw/zinc/49/48/37/135494837.db2.gz SEYDQWJKBXQGIZ-UHFFFAOYSA-N 2 0 230.352 0.853 20 0 BCADRP CCCCOCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088329840 135519371 /nfs/dbraw/zinc/51/93/71/135519371.db2.gz DUICHIIQLGALHJ-VXGBXAGGSA-N 2 0 212.337 0.954 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CC[C@H](C)[NH3+] ZINC000193171023 135590067 /nfs/dbraw/zinc/59/00/67/135590067.db2.gz BZNPQUWRWUPTED-QWRGUYRKSA-N 2 0 229.368 0.946 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CCC[NH2+]1 ZINC000343790708 135693712 /nfs/dbraw/zinc/69/37/12/135693712.db2.gz WKHLBSLAYJHFPY-NTZNESFSSA-N 2 0 239.363 0.714 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1CN[C@@H]1CC[NH2+]C1 ZINC000334865363 135827436 /nfs/dbraw/zinc/82/74/36/135827436.db2.gz TXQRWKKFTDQXEI-GHMZBOCLSA-N 2 0 211.353 0.716 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000334992555 135860298 /nfs/dbraw/zinc/86/02/98/135860298.db2.gz BRSWGGWPEQHKAK-VXGBXAGGSA-N 2 0 239.363 0.716 20 0 BCADRP CN1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CC1=O ZINC000335043697 135871866 /nfs/dbraw/zinc/87/18/66/135871866.db2.gz RCXHHHBVLKVVAZ-ILDUYXDCSA-N 2 0 225.336 0.324 20 0 BCADRP CC1(C(=O)N2CCC[C@H](CC[NH3+])C2)C[NH2+]C1 ZINC000335048469 135873228 /nfs/dbraw/zinc/87/32/28/135873228.db2.gz RUMVDXBTFYBFMJ-SNVBAGLBSA-N 2 0 225.336 0.183 20 0 BCADRP CN(C)c1nccc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC000346651349 135949450 /nfs/dbraw/zinc/94/94/50/135949450.db2.gz OFHZZYSFUUHCEA-UHFFFAOYSA-N 2 0 249.362 0.713 20 0 BCADRP C[C@]1(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC[NH2+]C1 ZINC000335241597 135984902 /nfs/dbraw/zinc/98/49/02/135984902.db2.gz TYKNJEGJTYVKOX-STQMWFEESA-N 2 0 239.363 0.492 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000335285054 136001950 /nfs/dbraw/zinc/00/19/50/136001950.db2.gz IOVCTQMLLVIIPY-GHMZBOCLSA-N 2 0 240.351 0.213 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000335286001 136002658 /nfs/dbraw/zinc/00/26/58/136002658.db2.gz LFIZQZLOVDPWKA-WDEREUQCSA-N 2 0 217.272 0.576 20 0 BCADRP CC[NH+](CC)CCSCC(=O)N[C@H](C)C[NH3+] ZINC000347691313 136005537 /nfs/dbraw/zinc/00/55/37/136005537.db2.gz NRHJQEJBBAVAGP-SNVBAGLBSA-N 2 0 247.408 0.525 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCC[NH3+])C[C@H]1C ZINC000335296091 136006139 /nfs/dbraw/zinc/00/61/39/136006139.db2.gz RCXVYCBDBCBVCT-ZJUUUORDSA-N 2 0 228.340 0.069 20 0 BCADRP CC(=O)[C@@](C)(O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000347751968 136011456 /nfs/dbraw/zinc/01/14/56/136011456.db2.gz RLHOGWNSOZFICX-ZDUSSCGKSA-N 2 0 242.363 0.600 20 0 BCADRP CCCN(CCC[NH+](C)C)C(=O)C[NH+](C)C ZINC000347915190 136018335 /nfs/dbraw/zinc/01/83/35/136018335.db2.gz YGKUZXXQBCQTFT-UHFFFAOYSA-N 2 0 229.368 0.738 20 0 BCADRP CN1CCN(C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000335301370 136020355 /nfs/dbraw/zinc/02/03/55/136020355.db2.gz OFSVXGCYZNBDSG-QWRGUYRKSA-N 2 0 240.351 0.071 20 0 BCADRP CN1CCN(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000335301368 136020606 /nfs/dbraw/zinc/02/06/06/136020606.db2.gz OFSVXGCYZNBDSG-GHMZBOCLSA-N 2 0 240.351 0.071 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000348153639 136040274 /nfs/dbraw/zinc/04/02/74/136040274.db2.gz DFBGPUXQCUUXLR-BBBLOLIVSA-N 2 0 213.325 0.086 20 0 BCADRP CN(C(=O)c1ccc2c(c1)C[NH2+]C2)C1CC([NH3+])C1 ZINC000335347696 136066987 /nfs/dbraw/zinc/06/69/87/136066987.db2.gz VGKSJRUZOQDTAL-UHFFFAOYSA-N 2 0 245.326 0.852 20 0 BCADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@]1(C)C[NH3+] ZINC000335349698 136067750 /nfs/dbraw/zinc/06/77/50/136067750.db2.gz VHAQLPLLAMYSKT-DGCLKSJQSA-N 2 0 225.380 0.903 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000335351179 136069192 /nfs/dbraw/zinc/06/91/92/136069192.db2.gz OJEHXJMNMAIFNE-OLZOCXBDSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1(C[NH3+])CCCC1 ZINC000335355623 136070875 /nfs/dbraw/zinc/07/08/75/136070875.db2.gz CWJODFHNSHYNPH-UWVGGRQHSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@@H]1CCN(C(=O)NCC(C)(C)[NH3+])C[C@H]1C[NH3+] ZINC000335357221 136074482 /nfs/dbraw/zinc/07/44/82/136074482.db2.gz IRRIHLJMHLXDRI-NXEZZACHSA-N 2 0 242.367 0.350 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335368197 136081840 /nfs/dbraw/zinc/08/18/40/136081840.db2.gz TWWZXZBCLFOKDB-ZJUUUORDSA-N 2 0 242.367 0.506 20 0 BCADRP [NH3+]CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000335375213 136085175 /nfs/dbraw/zinc/08/51/75/136085175.db2.gz MMCYFLBMAGOKIO-CMPLNLGQSA-N 2 0 237.347 0.420 20 0 BCADRP [NH3+]C1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000335382681 136087639 /nfs/dbraw/zinc/08/76/39/136087639.db2.gz ZVAHIUJGTJKMQQ-ZYHUDNBSSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccc3c(c2)C[NH2+]C3)C[C@H]1[NH3+] ZINC000335383199 136087998 /nfs/dbraw/zinc/08/79/98/136087998.db2.gz ADVRLBBPOVXOGZ-NOZJJQNGSA-N 2 0 245.326 0.709 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000335392653 136091450 /nfs/dbraw/zinc/09/14/50/136091450.db2.gz NEESTKJRWVTVKA-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP [NH3+]CC1(CC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000335397411 136092810 /nfs/dbraw/zinc/09/28/10/136092810.db2.gz WHWQJBBLANWZAB-CYBMUJFWSA-N 2 0 237.347 0.327 20 0 BCADRP CNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335397746 136093086 /nfs/dbraw/zinc/09/30/86/136093086.db2.gz WURHIUAZDDAFPG-WDEREUQCSA-N 2 0 225.336 0.054 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000335399191 136094013 /nfs/dbraw/zinc/09/40/13/136094013.db2.gz MVILJSDUSZDTMH-AAEUAGOBSA-N 2 0 245.326 0.352 20 0 BCADRP C[C@@H]1CCN(C(=O)C(C)(C)C[NH3+])C[C@@H]1C[NH3+] ZINC000335596988 136104985 /nfs/dbraw/zinc/10/49/85/136104985.db2.gz FVDIHADDXCPRAF-ZJUUUORDSA-N 2 0 227.352 0.415 20 0 BCADRP CC(C)C[NH+]1CCC(NC(=O)CCC[NH3+])CC1 ZINC000236767650 166966472 /nfs/dbraw/zinc/96/64/72/166966472.db2.gz BXRNKMRCVFCOMR-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP O=C([C@@H]1CC[NH2+]C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000062114962 397732190 /nfs/dbraw/zinc/73/21/90/397732190.db2.gz CABVEDSRXGRLAV-VXGBXAGGSA-N 2 0 237.347 0.293 20 0 BCADRP COC[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380196303 397789646 /nfs/dbraw/zinc/78/96/46/397789646.db2.gz RCYYTMBIJGNVHT-UTUOFQBUSA-N 2 0 212.337 0.953 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH3+])[C@H](C)C1 ZINC000178814175 397803131 /nfs/dbraw/zinc/80/31/31/397803131.db2.gz PFISQAIHJLOXSU-VWYCJHECSA-N 2 0 227.352 0.522 20 0 BCADRP CNC(=O)C(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000183838486 397867225 /nfs/dbraw/zinc/86/72/25/397867225.db2.gz SMGXMCTUQBQUPT-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000647891441 397934844 /nfs/dbraw/zinc/93/48/44/397934844.db2.gz BQECYHAOVRSZFM-RWMBFGLXSA-N 2 0 240.347 0.476 20 0 BCADRP CC[NH2+]CCCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000390765691 397948723 /nfs/dbraw/zinc/94/87/23/397948723.db2.gz QHMHVGNMDNWTTP-SNVBAGLBSA-N 2 0 213.325 0.102 20 0 BCADRP CC[N@H+](C)CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000054133014 397903729 /nfs/dbraw/zinc/90/37/29/397903729.db2.gz KGFPVLAGTWVNDY-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NCC[N@H+](C)CC ZINC000054133302 397903855 /nfs/dbraw/zinc/90/38/55/397903855.db2.gz WPCCMUFYEUTMIF-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)CCC(C)(C)[NH3+])CC[NH2+]1 ZINC000648128524 397924380 /nfs/dbraw/zinc/92/43/80/397924380.db2.gz WYYMKWBJZKYCDZ-UWVGGRQHSA-N 2 0 227.352 0.761 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000418201725 397992070 /nfs/dbraw/zinc/99/20/70/397992070.db2.gz SGXKMPZTURMZMP-NSHDSACASA-N 2 0 244.383 0.624 20 0 BCADRP [NH3+]C[C@H](NC(=O)C[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000372503158 398004746 /nfs/dbraw/zinc/00/47/46/398004746.db2.gz ILRXYYUOIIGUDS-PWSUYJOCSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@H]1CCCCC[NH2+]1)C1CC1 ZINC000372503938 398004761 /nfs/dbraw/zinc/00/47/61/398004761.db2.gz LFBIPUOUEJZZHV-GHMZBOCLSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH+](C)CC(=O)N1CCC([NH+](C)C)CC1 ZINC000169810664 398031556 /nfs/dbraw/zinc/03/15/56/398031556.db2.gz OOPHUVNLURSOQX-UHFFFAOYSA-N 2 0 213.325 0.101 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000637863273 398032184 /nfs/dbraw/zinc/03/21/84/398032184.db2.gz WTVXNZNRGMCOAE-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)[NH+](C)C ZINC000637863294 398032467 /nfs/dbraw/zinc/03/24/67/398032467.db2.gz XFKKPXXDLKPFNX-ZJUUUORDSA-N 2 0 213.325 0.147 20 0 BCADRP C[NH2+]CCNC(=O)N(CC[NH+](C)C)CC(C)C ZINC000418320985 398036163 /nfs/dbraw/zinc/03/61/63/398036163.db2.gz XJMZHZJLSQXJAZ-UHFFFAOYSA-N 2 0 244.383 0.435 20 0 BCADRP CNC(=O)CCC[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000382761378 397971837 /nfs/dbraw/zinc/97/18/37/397971837.db2.gz YKBCWIGNDUKYLS-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](CO)C[C@H](C)C1 ZINC000398807692 398063347 /nfs/dbraw/zinc/06/33/47/398063347.db2.gz OKVXHEDPJLENCE-XQQFMLRXSA-N 2 0 244.379 0.249 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000638048222 398066798 /nfs/dbraw/zinc/06/67/98/398066798.db2.gz BWQIAZCQGPXHIW-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+]CCC[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414860280 398067257 /nfs/dbraw/zinc/06/72/57/398067257.db2.gz PBTWGQXXPRMJHP-UHFFFAOYSA-N 2 0 245.330 0.966 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000638096370 398075488 /nfs/dbraw/zinc/07/54/88/398075488.db2.gz IDMOVCGCMYIPLZ-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP CC[NH+]1CCC(NC(=O)/C=C\C[NH+](C)C)CC1 ZINC000491853239 398075528 /nfs/dbraw/zinc/07/55/28/398075528.db2.gz UZSZHCJHGLGZGJ-WAYWQWQTSA-N 2 0 239.363 0.705 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000638189577 398078759 /nfs/dbraw/zinc/07/87/59/398078759.db2.gz DFBBTKBBIQOVSC-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000638189578 398079170 /nfs/dbraw/zinc/07/91/70/398079170.db2.gz DFBBTKBBIQOVSC-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000289315361 398086127 /nfs/dbraw/zinc/08/61/27/398086127.db2.gz UDKYKRCNECYJLL-DRZSPHRISA-N 2 0 247.342 0.505 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000418434254 398088996 /nfs/dbraw/zinc/08/89/96/398088996.db2.gz FFBCENPEZUBVAW-UWVGGRQHSA-N 2 0 242.367 0.635 20 0 BCADRP COC[C@H]1C[C@@H](O)C[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000649764064 398091191 /nfs/dbraw/zinc/09/11/91/398091191.db2.gz OWGQKZXPQYEZCO-JHJVBQTASA-N 2 0 242.363 0.552 20 0 BCADRP c1c[nH]c(C[NH2+][C@H]2CCc3nc[nH]c3C2)n1 ZINC000309608556 398101948 /nfs/dbraw/zinc/10/19/48/398101948.db2.gz LXZYYSUBYZTIKT-QMMMGPOBSA-N 2 0 217.276 0.780 20 0 BCADRP C[C@@H]([NH3+])CN1CCC([NH+]2CCCC2)CC1 ZINC000107213673 322862185 /nfs/dbraw/zinc/86/21/85/322862185.db2.gz ZXTKMBAIKZTWNR-LLVKDONJSA-N 2 0 211.353 0.894 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000522061355 398107478 /nfs/dbraw/zinc/10/74/78/398107478.db2.gz UGMUFZBQRMXIPC-AAEUAGOBSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000566120071 398096800 /nfs/dbraw/zinc/09/68/00/398096800.db2.gz GBURKBASCGYWBD-WDEREUQCSA-N 2 0 200.326 0.689 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000390771420 398098079 /nfs/dbraw/zinc/09/80/79/398098079.db2.gz WINNLCPGBVQJHJ-RYUDHWBXSA-N 2 0 211.353 0.527 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000236911823 398117390 /nfs/dbraw/zinc/11/73/90/398117390.db2.gz PPLOBGCREIEKSE-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000309294899 398119185 /nfs/dbraw/zinc/11/91/85/398119185.db2.gz WYKHOPFGQNAUQQ-KOLCDFICSA-N 2 0 225.336 0.276 20 0 BCADRP CC(C)NC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113512260 167042130 /nfs/dbraw/zinc/04/21/30/167042130.db2.gz XEVUYNUOOMYTTI-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CCOC(F)(F)F ZINC000398254946 322867768 /nfs/dbraw/zinc/86/77/68/322867768.db2.gz PWQCVCHRXZSOJZ-QMMMGPOBSA-N 2 0 244.257 0.866 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000037477072 167095536 /nfs/dbraw/zinc/09/55/36/167095536.db2.gz PCXYNIINPZZEDP-UHFFFAOYSA-N 2 0 227.352 0.537 20 0 BCADRP COCCOCCN1CCC[C@H]([NH3+])C1 ZINC000070028334 174354052 /nfs/dbraw/zinc/35/40/52/174354052.db2.gz WZBUWKHZICSMFU-JTQLQIEISA-N 2 0 202.298 0.073 20 0 BCADRP CC[C@@H](CCO)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000094953527 487564875 /nfs/dbraw/zinc/56/48/75/487564875.db2.gz ONNXMUBVJGBJDQ-STQMWFEESA-N 2 0 244.379 0.441 20 0 BCADRP C[N@H+](CCNC(=O)CC1([NH3+])CCC1)C1CC1 ZINC000086853583 487567802 /nfs/dbraw/zinc/56/78/02/487567802.db2.gz KIYYYOOYQIUSDK-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000249151805 487572752 /nfs/dbraw/zinc/57/27/52/487572752.db2.gz USURGALLSGKDOI-ZDCRXTMVSA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)[NH+](CCNC(=O)C[NH2+]C1CC1)C(C)C ZINC000037609118 322902912 /nfs/dbraw/zinc/90/29/12/322902912.db2.gz RAFTXEYNZKZFAJ-UHFFFAOYSA-N 2 0 241.379 0.973 20 0 BCADRP C[C@H]([NH3+])CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000082241802 487580978 /nfs/dbraw/zinc/58/09/78/487580978.db2.gz GQMGFBSQPFHNER-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H](C[C@H](C)O)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000228106945 487587618 /nfs/dbraw/zinc/58/76/18/487587618.db2.gz YCNLZZTUWANTBC-GRYCIOLGSA-N 2 0 230.352 0.192 20 0 BCADRP CC(C)OC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000337337098 167257163 /nfs/dbraw/zinc/25/71/63/167257163.db2.gz MRQGGVBVBXWDME-OLZOCXBDSA-N 2 0 244.379 0.846 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCOC1 ZINC000393850314 487587584 /nfs/dbraw/zinc/58/75/84/487587584.db2.gz QYCQDJVJRQWUFC-CHWSQXEVSA-N 2 0 244.379 0.656 20 0 BCADRP CC(=O)NC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000135297078 487588769 /nfs/dbraw/zinc/58/87/69/487588769.db2.gz FSDPGFYOAJWMKX-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP CN1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000082303498 487590463 /nfs/dbraw/zinc/59/04/63/487590463.db2.gz DQUCYZHBPLTXLR-LLVKDONJSA-N 2 0 225.336 0.102 20 0 BCADRP C([C@H]1C[NH2+]CCO1)N1CC[NH+](C2CCC2)CC1 ZINC000383317234 487602749 /nfs/dbraw/zinc/60/27/49/487602749.db2.gz OJFYQVUJPNHXTN-CYBMUJFWSA-N 2 0 239.363 0.145 20 0 BCADRP CCCN(C(=O)[C@H](CC)[NH2+]C)[C@@H]1CC[NH2+]C1 ZINC000662414393 487604197 /nfs/dbraw/zinc/60/41/97/487604197.db2.gz YVMYCLJGJRYOPN-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP c1cc(CN[C@H]2CC[NH2+]C2)c2c(c1)C[NH2+]CC2 ZINC000662263671 409562303 /nfs/dbraw/zinc/56/23/03/409562303.db2.gz CVWFGJZZKSPRKX-ZDUSSCGKSA-N 2 0 231.343 0.784 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@H]1CCCN(C)C1=O ZINC000662266060 409565413 /nfs/dbraw/zinc/56/54/13/409565413.db2.gz WHDRPSMDERZXOK-VWYCJHECSA-N 2 0 225.336 0.276 20 0 BCADRP CCCN(C[C@H]1C[NH2+]CCO1)[C@@H]1CC[NH2+]C1 ZINC000662244099 409535820 /nfs/dbraw/zinc/53/58/20/409535820.db2.gz BQGPSPBLSZFVLQ-VXGBXAGGSA-N 2 0 227.352 0.049 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC000662245479 409537724 /nfs/dbraw/zinc/53/77/24/409537724.db2.gz KAWPNKWWBPEJRK-JQWIXIFHSA-N 2 0 239.363 0.666 20 0 BCADRP CCN1CC[C@@H]([NH+]2CCC([C@H](C)[NH3+])CC2)C1=O ZINC000662245728 409538579 /nfs/dbraw/zinc/53/85/79/409538579.db2.gz NMOZIZQXYZCDHQ-CMPLNLGQSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000662245477 409538647 /nfs/dbraw/zinc/53/86/47/409538647.db2.gz KAWPNKWWBPEJRK-CMPLNLGQSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+][C@@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662246107 409541806 /nfs/dbraw/zinc/54/18/06/409541806.db2.gz PFGZRNAQTUOFMW-NEPJUHHUSA-N 2 0 239.363 0.191 20 0 BCADRP C[NH2+][C@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662246109 409541923 /nfs/dbraw/zinc/54/19/23/409541923.db2.gz PFGZRNAQTUOFMW-RYUDHWBXSA-N 2 0 239.363 0.191 20 0 BCADRP C[NH2+]CC1CC[NH+](C[C@@H](COC)OC)CC1 ZINC000662247562 409543207 /nfs/dbraw/zinc/54/32/07/409543207.db2.gz XQAJOMWQEPZWPC-LBPRGKRZSA-N 2 0 230.352 0.579 20 0 BCADRP C[C@@H]1CSCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254123 409551555 /nfs/dbraw/zinc/55/15/55/409551555.db2.gz FZUYUTFCOWSUFW-GHMZBOCLSA-N 2 0 242.388 0.945 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662317405 409636707 /nfs/dbraw/zinc/63/67/07/409636707.db2.gz ONEJLOGUTWSGBE-AGIUHOORSA-N 2 0 224.348 0.954 20 0 BCADRP COC[C@@H](C[N@@H+]1CCCC[C@@H]1CC[NH3+])OC ZINC000662272864 409578233 /nfs/dbraw/zinc/57/82/33/409578233.db2.gz JLVUFVMEWAWHHN-VXGBXAGGSA-N 2 0 230.352 0.851 20 0 BCADRP OCC1([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC[NH2+]CC1 ZINC000662283281 409611839 /nfs/dbraw/zinc/61/18/39/409611839.db2.gz GVHVNDJUMWIASC-ZSBIGDGJSA-N 2 0 224.348 0.737 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)C1([NH2+]C2CC2)CCC1 ZINC000662394866 409696756 /nfs/dbraw/zinc/69/67/56/409696756.db2.gz DMZGQOAFYISIMG-NSHDSACASA-N 2 0 237.347 0.529 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000662403130 409699155 /nfs/dbraw/zinc/69/91/55/409699155.db2.gz JFTFQYDGKPXLGS-KKOKHZNYSA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000655245559 409700867 /nfs/dbraw/zinc/70/08/67/409700867.db2.gz OLHQHKKDYUELTD-TUAOUCFPSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@](C[NH3+])(NC(=O)CC1([NH3+])CC1)C1CC1 ZINC000662417958 409704356 /nfs/dbraw/zinc/70/43/56/409704356.db2.gz YHBWLFQLUWEIEM-SNVBAGLBSA-N 2 0 211.309 0.111 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCC2(C)C)CC[NH2+]1 ZINC000662416826 409705888 /nfs/dbraw/zinc/70/58/88/409705888.db2.gz BSIIILDISPDYFS-ZJUUUORDSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)NCC(C)(C)[NH3+] ZINC000662423284 409708380 /nfs/dbraw/zinc/70/83/80/409708380.db2.gz FWCJIDUPDVMGTI-JTQLQIEISA-N 2 0 229.368 0.851 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662423590 409709136 /nfs/dbraw/zinc/70/91/36/409709136.db2.gz NTWJERXICMDATN-NXEZZACHSA-N 2 0 227.352 0.474 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662387908 409689757 /nfs/dbraw/zinc/68/97/57/409689757.db2.gz MFAMJLFEXHORPB-JTQLQIEISA-N 2 0 237.347 0.611 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](C)C[NH3+] ZINC000662549627 409751759 /nfs/dbraw/zinc/75/17/59/409751759.db2.gz SVOQJOIZTCHUQA-MNOVXSKESA-N 2 0 229.368 0.709 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000662556574 409757080 /nfs/dbraw/zinc/75/70/80/409757080.db2.gz ASNORQOKJNMLHU-LPEHRKFASA-N 2 0 213.325 0.099 20 0 BCADRP C[C@H]1CCN(C(=O)C[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000662575195 409764426 /nfs/dbraw/zinc/76/44/26/409764426.db2.gz SHNBZNYKLYMITM-QJPTWQEYSA-N 2 0 239.363 0.429 20 0 BCADRP C[NH+](C)CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655247085 409717553 /nfs/dbraw/zinc/71/75/53/409717553.db2.gz RTAJLHYBCBEHLC-AOOOYVTPSA-N 2 0 213.325 0.004 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000655246936 409719051 /nfs/dbraw/zinc/71/90/51/409719051.db2.gz QAEZPKQOSHWGSC-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655247243 409719700 /nfs/dbraw/zinc/71/97/00/409719700.db2.gz YXQSDKCWOWKPTN-TXEJJXNPSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653134967 409854971 /nfs/dbraw/zinc/85/49/71/409854971.db2.gz OCKWLLRYHUPINM-YFKTTZPYSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662682888 409834453 /nfs/dbraw/zinc/83/44/53/409834453.db2.gz KHVSDYKOYFAXQC-OWNCLDLKSA-N 2 0 223.320 0.064 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653126658 409835956 /nfs/dbraw/zinc/83/59/56/409835956.db2.gz BITNVVSKFWVLGN-NWDGAFQWSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653126874 409836910 /nfs/dbraw/zinc/83/69/10/409836910.db2.gz MRSDKYIHAPNYOC-WISYIIOYSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000653128618 409841010 /nfs/dbraw/zinc/84/10/10/409841010.db2.gz OSYLWGYANWLEFH-WRWGMCAJSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653131295 409845896 /nfs/dbraw/zinc/84/58/96/409845896.db2.gz DUWNWDHBEKWYJG-IJLUTSLNSA-N 2 0 239.363 0.490 20 0 BCADRP CC1([NH3+])CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000653133063 409850877 /nfs/dbraw/zinc/85/08/77/409850877.db2.gz XDHMPXRFYKPUER-WDEREUQCSA-N 2 0 239.363 0.844 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000662620801 409790653 /nfs/dbraw/zinc/79/06/53/409790653.db2.gz BNDBUEJRLQJLJS-NSHDSACASA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662623640 409793212 /nfs/dbraw/zinc/79/32/12/409793212.db2.gz ZOAARWSOHPGVHG-GHMZBOCLSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000662622982 409794423 /nfs/dbraw/zinc/79/44/23/409794423.db2.gz VQSYJMYCGPUOPP-SNVBAGLBSA-N 2 0 239.363 0.585 20 0 BCADRP CCN1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653104815 409796948 /nfs/dbraw/zinc/79/69/48/409796948.db2.gz WEDWRHGYAXPBAZ-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653105502 409798515 /nfs/dbraw/zinc/79/85/15/409798515.db2.gz YXYFQPMLABKSFP-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP C[C@@H](CCNC(=O)[C@@H]1CC[NH2+][C@H]1C)[NH+](C)C ZINC000662632498 409804656 /nfs/dbraw/zinc/80/46/56/409804656.db2.gz DBNOHXHXSWXRQH-GARJFASQSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@@H](CCNC(=O)C1(C[NH3+])CCCC1)[NH+](C)C ZINC000662632337 409804889 /nfs/dbraw/zinc/80/48/89/409804889.db2.gz CEQWUCORLBEETE-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000653136758 409856364 /nfs/dbraw/zinc/85/63/64/409856364.db2.gz DKUCIULNYRMZBK-RNJOBUHISA-N 2 0 249.358 0.195 20 0 BCADRP CC[N@H+](CCOCC[NH3+])[C@H]1CCCOC1 ZINC000308787845 409905746 /nfs/dbraw/zinc/90/57/46/409905746.db2.gz HCCMKEVYQUQBFZ-NSHDSACASA-N 2 0 216.325 0.463 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000662782223 409909945 /nfs/dbraw/zinc/90/99/45/409909945.db2.gz CNWIANHTQRPGRJ-HBNTYKKESA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+]CC[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])C(F)F ZINC000653144989 409866680 /nfs/dbraw/zinc/86/66/80/409866680.db2.gz QPJPKTOBEPPXNP-YIZRAAEISA-N 2 0 249.305 0.603 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])C(F)F ZINC000653144988 409867208 /nfs/dbraw/zinc/86/72/08/409867208.db2.gz QPJPKTOBEPPXNP-DJLDLDEBSA-N 2 0 249.305 0.603 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653144779 409870151 /nfs/dbraw/zinc/87/01/51/409870151.db2.gz CNQVLIOSTJZUIU-XFWSIPNHSA-N 2 0 213.325 0.356 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000653146974 409871576 /nfs/dbraw/zinc/87/15/76/409871576.db2.gz IUABEFJZGGEMTK-NNYUYHANSA-N 2 0 239.363 0.748 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653146937 409872106 /nfs/dbraw/zinc/87/21/06/409872106.db2.gz GLFUJVDUIVUDDN-GRYCIOLGSA-N 2 0 239.363 0.620 20 0 BCADRP CC1(C)CN(C(=O)[C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000653147954 409872585 /nfs/dbraw/zinc/87/25/85/409872585.db2.gz IAMPOMMGELRSBF-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653146938 409872666 /nfs/dbraw/zinc/87/26/66/409872666.db2.gz GLFUJVDUIVUDDN-IJLUTSLNSA-N 2 0 239.363 0.620 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662763380 409886233 /nfs/dbraw/zinc/88/62/33/409886233.db2.gz AACFZYPRNBLQSF-HAQNSBGRSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CC2([NH3+])CC2)CC[NH2+]1 ZINC000662773678 409892619 /nfs/dbraw/zinc/89/26/19/409892619.db2.gz JFBBLLRMFHCMBC-RKDXNWHRSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@H](CCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)[NH+](C)C ZINC000662859123 409957789 /nfs/dbraw/zinc/95/77/89/409957789.db2.gz KCRSXNATCXDHRP-IJLUTSLNSA-N 2 0 241.379 0.831 20 0 BCADRP CN(CC[NH3+])C(=O)C1([NH2+]C2CC2)CCC1 ZINC000662814636 409932168 /nfs/dbraw/zinc/93/21/68/409932168.db2.gz QOUJUAGMODJBJG-UHFFFAOYSA-N 2 0 211.309 0.078 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662834321 409942139 /nfs/dbraw/zinc/94/21/39/409942139.db2.gz FOBMYXJRFKQLLM-TUAOUCFPSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662835021 409946181 /nfs/dbraw/zinc/94/61/81/409946181.db2.gz KAYXFYLKSYZDIH-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662839440 409949735 /nfs/dbraw/zinc/94/97/35/409949735.db2.gz QPRWLDURWSQYMO-SRVKXCTJSA-N 2 0 239.363 0.857 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000662969193 409998034 /nfs/dbraw/zinc/99/80/34/409998034.db2.gz YLVJPSCLUGVIFM-GUBZILKMSA-N 2 0 213.325 0.099 20 0 BCADRP CC[C@@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226877404 487612468 /nfs/dbraw/zinc/61/24/68/487612468.db2.gz JLIZYVNVYCTDJS-GARJFASQSA-N 2 0 200.326 0.830 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257673062 487613506 /nfs/dbraw/zinc/61/35/06/487613506.db2.gz IYBFLBZIVWCTJH-VXGBXAGGSA-N 2 0 209.337 0.281 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653166570 410132575 /nfs/dbraw/zinc/13/25/75/410132575.db2.gz NIJRIFRRAFPTHG-ZRUFSTJUSA-N 2 0 227.352 0.746 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653165765 410132674 /nfs/dbraw/zinc/13/26/74/410132674.db2.gz BKWWJXDIVNJCKO-IJLUTSLNSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000653170376 410139079 /nfs/dbraw/zinc/13/90/79/410139079.db2.gz VZYUNYLFLIHRJN-ZBOXLXRLSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653194337 410159716 /nfs/dbraw/zinc/15/97/16/410159716.db2.gz DFKIHLQWNUXZBR-UMNHJUIQSA-N 2 0 225.336 0.311 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653198265 410159757 /nfs/dbraw/zinc/15/97/57/410159757.db2.gz PIZDIQRYYLDIEJ-AAEUAGOBSA-N 2 0 239.363 0.573 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)[C@@H](C)C[NH3+] ZINC000653214390 410165944 /nfs/dbraw/zinc/16/59/44/410165944.db2.gz SBWGELADTWFZCO-JTQLQIEISA-N 2 0 235.331 0.617 20 0 BCADRP [NH3+]Cc1cc(C(=O)NCCC2(C[NH3+])CC2)co1 ZINC000653221151 410169287 /nfs/dbraw/zinc/16/92/87/410169287.db2.gz KJNMEKZAEOTEAL-UHFFFAOYSA-N 2 0 237.303 0.597 20 0 BCADRP [NH3+]CC1(CCNC(=O)C2([NH3+])CCC2)CC1 ZINC000653221096 410170076 /nfs/dbraw/zinc/17/00/76/410170076.db2.gz HNFXPMNJCCFTGH-UHFFFAOYSA-N 2 0 211.309 0.113 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000653223002 410171273 /nfs/dbraw/zinc/17/12/73/410171273.db2.gz YZQHTBGCRRKYLP-QWRGUYRKSA-N 2 0 239.363 0.620 20 0 BCADRP CN(C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000655415448 410218830 /nfs/dbraw/zinc/21/88/30/410218830.db2.gz NRARZAXXOQLIIS-NTZNESFSSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+])[NH+](C)C ZINC000653240279 410181416 /nfs/dbraw/zinc/18/14/16/410181416.db2.gz MBBWBWIXSZAGKF-WOPDTQHZSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC[NH2+]1 ZINC000655414690 410219120 /nfs/dbraw/zinc/21/91/20/410219120.db2.gz CESPTWXAKBYCSG-MDZLAQPJSA-N 2 0 237.347 0.196 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655416648 410222138 /nfs/dbraw/zinc/22/21/38/410222138.db2.gz ZSQZBGPMLCUJFG-JQWIXIFHSA-N 2 0 225.336 0.102 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)CC[NH2+]C1CC1 ZINC000655417428 410224101 /nfs/dbraw/zinc/22/41/01/410224101.db2.gz KPSJZPNKEQYTDF-UHFFFAOYSA-N 2 0 225.336 0.339 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655417357 410225801 /nfs/dbraw/zinc/22/58/01/410225801.db2.gz IGUOUNNZPCBQNJ-NQBHXWOUSA-N 2 0 239.363 0.476 20 0 BCADRP [NH3+]CC1(CC[NH2+]Cc2csnn2)CC1 ZINC000650712684 410344960 /nfs/dbraw/zinc/34/49/60/410344960.db2.gz PEZBDUOPRKDUEY-UHFFFAOYSA-N 2 0 212.322 0.757 20 0 BCADRP Cn1cncc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713293 410345001 /nfs/dbraw/zinc/34/50/01/410345001.db2.gz NCILXAMYSBCZML-UHFFFAOYSA-N 2 0 208.309 0.639 20 0 BCADRP Cc1nn(C)cc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712864 410345828 /nfs/dbraw/zinc/34/58/28/410345828.db2.gz YHKLWMYRAPBTQF-UHFFFAOYSA-N 2 0 222.336 0.947 20 0 BCADRP CCO[C@@H]1C[N@H+](C[C@@H]2C[C@H]2C)C[C@H]1C[NH3+] ZINC000650714656 410346991 /nfs/dbraw/zinc/34/69/91/410346991.db2.gz WTVMWMWIXYPZMX-WRWGMCAJSA-N 2 0 212.337 0.938 20 0 BCADRP CCO[C@@H]1CN(C[C@H]([NH3+])CC(C)C)C[C@H]1C[NH3+] ZINC000650714677 410347311 /nfs/dbraw/zinc/34/73/11/410347311.db2.gz XYTVKZWVRSLJEI-JHJVBQTASA-N 2 0 243.395 0.655 20 0 BCADRP [NH3+]CC1(CC[NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000650714219 410347815 /nfs/dbraw/zinc/34/78/15/410347815.db2.gz WGRFIJWWRJWIQU-LLVKDONJSA-N 3 0 211.353 0.847 20 0 BCADRP CCO[C@@H]1CN(C[C@@H]([NH3+])CC(C)C)C[C@H]1C[NH3+] ZINC000650714676 410348569 /nfs/dbraw/zinc/34/85/69/410348569.db2.gz XYTVKZWVRSLJEI-FRRDWIJNSA-N 2 0 243.395 0.655 20 0 BCADRP C[C@@]1(C[NH2+]CCC2(C[NH3+])CC2)CC[NH2+]C1 ZINC000650714312 410348797 /nfs/dbraw/zinc/34/87/97/410348797.db2.gz YMJIHXSKDNKENL-LLVKDONJSA-N 3 0 211.353 0.705 20 0 BCADRP C[C@H](CO)C1CC[NH+](CCC[NH3+])CC1 ZINC000650715190 410350147 /nfs/dbraw/zinc/35/01/47/410350147.db2.gz TYNJRWJWUJAZDM-SNVBAGLBSA-N 2 0 200.326 0.676 20 0 BCADRP [NH3+]Cc1ccc(CN[C@H]2CC[NH2+]C2)c(F)c1 ZINC000650716528 410353651 /nfs/dbraw/zinc/35/36/51/410353651.db2.gz BEOKVAOVDFCXAT-NSHDSACASA-N 2 0 223.295 0.736 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CCC1 ZINC000655452044 410291042 /nfs/dbraw/zinc/29/10/42/410291042.db2.gz AIWRWSLGSNBTCR-CMPLNLGQSA-N 2 0 237.347 0.374 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CCC1 ZINC000655452045 410291075 /nfs/dbraw/zinc/29/10/75/410291075.db2.gz AIWRWSLGSNBTCR-JQWIXIFHSA-N 2 0 237.347 0.374 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)NCCC1CC[NH2+]CC1 ZINC000653266967 410308369 /nfs/dbraw/zinc/30/83/69/410308369.db2.gz IMKZDUOFSVANAE-LBPRGKRZSA-N 2 0 239.363 0.634 20 0 BCADRP O=C(NCCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000653267791 410316407 /nfs/dbraw/zinc/31/64/07/410316407.db2.gz WFFBUZCYLXXFOB-GFCCVEGCSA-N 2 0 239.363 0.492 20 0 BCADRP [NH3+]CCCC(=O)NCCC1CC[NH2+]CC1 ZINC000653267940 410319203 /nfs/dbraw/zinc/31/92/03/410319203.db2.gz YOZBPCWWQGCDFX-UHFFFAOYSA-N 2 0 213.325 0.231 20 0 BCADRP C[NH2+]Cc1ccccc1CN[C@@H]1CC[NH2+]C1 ZINC000650720679 410359457 /nfs/dbraw/zinc/35/94/57/410359457.db2.gz YINMDSVNHZIONX-CYBMUJFWSA-N 3 0 219.332 0.858 20 0 BCADRP [NH3+]CCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650724765 410359770 /nfs/dbraw/zinc/35/97/70/410359770.db2.gz LXBQOUJTADYHNN-JHJVBQTASA-N 3 0 241.379 0.696 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000650743041 410377207 /nfs/dbraw/zinc/37/72/07/410377207.db2.gz KZZUPXOPTCLTBO-LMLFDSFASA-N 2 0 225.336 0.500 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650748101 410388232 /nfs/dbraw/zinc/38/82/32/410388232.db2.gz MZVXVJNVJCDSPJ-GHMZBOCLSA-N 3 0 211.353 0.832 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000130391901 410399524 /nfs/dbraw/zinc/39/95/24/410399524.db2.gz ILQMUVYMCQHWCY-SDDRHHMPSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H](NCc1ccc(C[NH3+])cc1F)C1C[NH2+]C1 ZINC000650755803 410400279 /nfs/dbraw/zinc/40/02/79/410400279.db2.gz NHQJFKSYRJTRMX-SECBINFHSA-N 2 0 237.322 0.982 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761502 410410109 /nfs/dbraw/zinc/41/01/09/410410109.db2.gz ANTZBQLEXNSYCF-RYUDHWBXSA-N 3 0 211.353 0.846 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650764301 410414340 /nfs/dbraw/zinc/41/43/40/410414340.db2.gz VLDVBSSKJDTIRM-YPMHNXCESA-N 2 0 225.380 0.916 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655460747 410574328 /nfs/dbraw/zinc/57/43/28/410574328.db2.gz ALCDBWCUXFDLDD-CMPLNLGQSA-N 2 0 225.336 0.054 20 0 BCADRP C[C@@]1(C(=O)NCCC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000653272463 410539761 /nfs/dbraw/zinc/53/97/61/410539761.db2.gz ONJQDONTEHNPPH-ZDUSSCGKSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H](C(=O)NCCC1CC[NH2+]CC1)[NH+](C)C ZINC000653272414 410539789 /nfs/dbraw/zinc/53/97/89/410539789.db2.gz MNDMNPXCSYWRGN-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000653272586 410540488 /nfs/dbraw/zinc/54/04/88/410540488.db2.gz VCUUTJNELHGFMD-JQWIXIFHSA-N 2 0 239.363 0.490 20 0 BCADRP CN(CC[NH+]1CCCCC1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000653274762 410555619 /nfs/dbraw/zinc/55/56/19/410555619.db2.gz NWSPETSYEKXYBZ-TXEJJXNPSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655465367 410664436 /nfs/dbraw/zinc/66/44/36/410664436.db2.gz FOTCOCGWQRXIBE-GMOBBJLQSA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)([NH3+])Cc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000309249370 410634364 /nfs/dbraw/zinc/63/43/64/410634364.db2.gz DJHJLMMCAOEVIT-ZETCQYMHSA-N 2 0 210.281 0.774 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000655463863 410650952 /nfs/dbraw/zinc/65/09/52/410650952.db2.gz ZBDIXVQPOOZMNV-DCAQKATOSA-N 2 0 243.326 0.192 20 0 BCADRP O=C(CC[NH2+]C1CC1)NCCC[C@@H]1CCC[NH2+]1 ZINC000655464176 410656862 /nfs/dbraw/zinc/65/68/62/410656862.db2.gz BZPHNHWSMYEIES-NSHDSACASA-N 2 0 239.363 0.777 20 0 BCADRP Cc1cncc(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])n1 ZINC000665274750 410746797 /nfs/dbraw/zinc/74/67/97/410746797.db2.gz XKSJBEBKPRZGMK-RYUDHWBXSA-N 2 0 220.320 0.797 20 0 BCADRP COC[C@@H](CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)OC ZINC000665234368 410724267 /nfs/dbraw/zinc/72/42/67/410724267.db2.gz BUYUPWBAHJVMMI-QJPTWQEYSA-N 2 0 230.352 0.768 20 0 BCADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CCOC1 ZINC000665234973 410725974 /nfs/dbraw/zinc/72/59/74/410725974.db2.gz NEBFCJPPFLRQHD-YVECIDJPSA-N 2 0 242.363 0.755 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655484410 410752434 /nfs/dbraw/zinc/75/24/34/410752434.db2.gz WGQYRCKLFOGEHE-MEWQQHAOSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)[C@H]([NH3+])CCN[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000665280680 410756960 /nfs/dbraw/zinc/75/69/60/410756960.db2.gz IZNGVUVYHKCFID-QJPTWQEYSA-N 2 0 213.369 0.900 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1nccn1C ZINC000665282711 410761226 /nfs/dbraw/zinc/76/12/26/410761226.db2.gz AHKOLLXBNYZBAZ-MNOVXSKESA-N 2 0 240.351 0.825 20 0 BCADRP c1n[nH]cc1CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000393813916 410761445 /nfs/dbraw/zinc/76/14/45/410761445.db2.gz UDVFKNWSAJOWKY-LBPRGKRZSA-N 2 0 220.320 0.638 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000394672047 410817607 /nfs/dbraw/zinc/81/76/07/410817607.db2.gz XWMIROLHVABTDA-HBNTYKKESA-N 2 0 216.325 0.101 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000655488462 410798267 /nfs/dbraw/zinc/79/82/67/410798267.db2.gz AMHTYJFQCPHHDK-NTZNESFSSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000655489279 410798591 /nfs/dbraw/zinc/79/85/91/410798591.db2.gz NYWBZPXVZRKXLD-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489692 410798842 /nfs/dbraw/zinc/79/88/42/410798842.db2.gz ZLYQRXSIAKUVJV-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111263402 169773905 /nfs/dbraw/zinc/77/39/05/169773905.db2.gz GLGNKIJDXPPJPJ-NEPJUHHUSA-N 2 0 241.379 0.690 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000062112367 169774077 /nfs/dbraw/zinc/77/40/77/169774077.db2.gz OWUMVTIECAQXAN-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000665298627 410829311 /nfs/dbraw/zinc/82/93/11/410829311.db2.gz ZERIFVVSIAGVBS-GARJFASQSA-N 2 0 200.326 0.999 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000040673663 410885806 /nfs/dbraw/zinc/88/58/06/410885806.db2.gz BZOBXUNJKXDMEC-ZDUSSCGKSA-N 2 0 247.342 0.969 20 0 BCADRP C[C@@H](NC(=O)[C@H](C)[NH3+])C1CC[NH+](C)CC1 ZINC000396438956 410881935 /nfs/dbraw/zinc/88/19/35/410881935.db2.gz QQNFIJSVDXMRQC-DTWKUNHWSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H](NC(=O)CC(C)(C)[NH3+])C1CC[NH+](C)CC1 ZINC000396478524 410883027 /nfs/dbraw/zinc/88/30/27/410883027.db2.gz YVKNTBJAVNZBTN-SNVBAGLBSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000396439629 410883358 /nfs/dbraw/zinc/88/33/58/410883358.db2.gz RPXIBVQAGOIDJA-ZYHUDNBSSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396431237 410883481 /nfs/dbraw/zinc/88/34/81/410883481.db2.gz GCGCGQVRAJQZEP-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396447513 410883499 /nfs/dbraw/zinc/88/34/99/410883499.db2.gz FWMHYIODXCYWAC-ZJUUUORDSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396454424 410883827 /nfs/dbraw/zinc/88/38/27/410883827.db2.gz IVMJZBMPKMJQRN-QWRGUYRKSA-N 2 0 241.379 0.688 20 0 BCADRP CCC(C)(C)[NH+]1CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000655495099 410890929 /nfs/dbraw/zinc/89/09/29/410890929.db2.gz TUKSKSUWOAEZSL-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@H](NC(=O)[C@H]1CC[NH2+]1)C1CC[NH+](C)CC1 ZINC000396479689 410891721 /nfs/dbraw/zinc/89/17/21/410891721.db2.gz ZNALACVPCYQCBC-GXSJLCMTSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000040807166 410895003 /nfs/dbraw/zinc/89/50/03/410895003.db2.gz MJPYCUAYGGSXLM-SNVBAGLBSA-N 2 0 229.368 0.816 20 0 BCADRP CC(C)N1CC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000359298657 167025999 /nfs/dbraw/zinc/02/59/99/167025999.db2.gz FOSQTHAGOSQFIC-TUAOUCFPSA-N 2 0 237.347 0.147 20 0 BCADRP CC(C)NC(=O)C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000051919319 167048289 /nfs/dbraw/zinc/04/82/89/167048289.db2.gz ILRKCNUJHGLRIL-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)[NH+](C)C ZINC000236710693 167342007 /nfs/dbraw/zinc/34/20/07/167342007.db2.gz QYGIULZZLMPCDX-ZJUUUORDSA-N 2 0 213.325 0.132 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000123355085 167342648 /nfs/dbraw/zinc/34/26/48/167342648.db2.gz QHNQAGVUQHROHU-NEPJUHHUSA-N 2 0 241.379 0.783 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H](C[NH3+])C1CC1)[NH+](C)C ZINC000236711312 167345123 /nfs/dbraw/zinc/34/51/23/167345123.db2.gz SELMMFFLMVFTLA-QWRGUYRKSA-N 2 0 227.352 0.426 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)CC[NH3+])C1 ZINC000236902416 169789901 /nfs/dbraw/zinc/78/99/01/169789901.db2.gz RBXUWJKTHVDLLO-LLVKDONJSA-N 2 0 227.352 0.526 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000336650831 167394392 /nfs/dbraw/zinc/39/43/92/167394392.db2.gz DYIODGNQZFGAGD-NXEZZACHSA-N 2 0 213.325 0.038 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000045108029 167395600 /nfs/dbraw/zinc/39/56/00/167395600.db2.gz RYAYFKUXFLWRLW-VHSXEESVSA-N 2 0 215.341 0.284 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]([NH3+])C(C)C ZINC000236754676 167418301 /nfs/dbraw/zinc/41/83/01/167418301.db2.gz CDTSNXIOCGSFLA-QWRGUYRKSA-N 2 0 229.368 0.802 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C[C@H](C)[NH3+] ZINC000041680175 410933520 /nfs/dbraw/zinc/93/35/20/410933520.db2.gz RZCFOTSYUGGIBW-VHSXEESVSA-N 2 0 215.341 0.570 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399000826 411008158 /nfs/dbraw/zinc/00/81/58/411008158.db2.gz CKRGILSSQVXQSF-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](CNC(=O)[C@H]([NH3+])C1CCC1)[NH+]1CCCC1 ZINC000399088768 411014847 /nfs/dbraw/zinc/01/48/47/411014847.db2.gz VRKJCFOSGCKWKA-CMPLNLGQSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000390513374 411065950 /nfs/dbraw/zinc/06/59/50/411065950.db2.gz CKBGOXLVTMAVND-UWVGGRQHSA-N 2 0 213.325 0.372 20 0 BCADRP Cn1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000400935003 411162983 /nfs/dbraw/zinc/16/29/83/411162983.db2.gz KHIAOYCMXHXFPS-GMTAPVOTSA-N 2 0 235.335 0.293 20 0 BCADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ncn(C)n1 ZINC000400928019 411163016 /nfs/dbraw/zinc/16/30/16/411163016.db2.gz HYSMSCHYSVBIEZ-NNYUYHANSA-N 2 0 249.362 0.854 20 0 BCADRP [NH3+]CCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655961347 411163020 /nfs/dbraw/zinc/16/30/20/411163020.db2.gz OIZUSIJMHHNVOO-MNOVXSKESA-N 2 0 240.351 0.261 20 0 BCADRP Cn1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000400935004 411163365 /nfs/dbraw/zinc/16/33/65/411163365.db2.gz KHIAOYCMXHXFPS-HBNTYKKESA-N 2 0 235.335 0.293 20 0 BCADRP CC[NH+]1CCC(C[NH2+]C[C@@H](C)O)CC1 ZINC000044518453 411137195 /nfs/dbraw/zinc/13/71/95/411137195.db2.gz BUBJNMZRRSGOPS-SNVBAGLBSA-N 2 0 200.326 0.689 20 0 BCADRP CC(C)C[N@H+](C)CCCNCc1cnnn1C ZINC000651866008 411148183 /nfs/dbraw/zinc/14/81/83/411148183.db2.gz QBJBQACLVTYOJH-UHFFFAOYSA-N 2 0 239.367 0.883 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000659550941 411154718 /nfs/dbraw/zinc/15/47/18/411154718.db2.gz JQNUJHWENSJNFS-WDEREUQCSA-N 2 0 242.367 0.426 20 0 BCADRP C[NH+]1CCC(CNC(=O)CCCC[NH3+])CC1 ZINC000069733995 411159457 /nfs/dbraw/zinc/15/94/57/411159457.db2.gz GBYGFKOBESCOQC-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2C[C@H]1CC[NH2+]C1 ZINC000655942076 411160436 /nfs/dbraw/zinc/16/04/36/411160436.db2.gz GTLHNQNGNNBFKN-CPCZMJQVSA-N 2 0 223.364 0.799 20 0 BCADRP C[C@H](O)C[N@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000655949090 411161199 /nfs/dbraw/zinc/16/11/99/411161199.db2.gz MDZMOEMNMIFNIC-WDEREUQCSA-N 2 0 212.337 0.831 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000062972648 169801560 /nfs/dbraw/zinc/80/15/60/169801560.db2.gz PISBFLKPNWOLSG-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000655947291 411161579 /nfs/dbraw/zinc/16/15/79/411161579.db2.gz QRBWWDHPHYHLIN-ZDUSSCGKSA-N 2 0 242.363 0.995 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CC(C)(C)[NH3+] ZINC000309374067 411114111 /nfs/dbraw/zinc/11/41/11/411114111.db2.gz CKEBNCAPCIVWDR-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]C[C@H](NC(=O)CC1([NH3+])CCC1)C(F)(F)F ZINC000655504819 411115319 /nfs/dbraw/zinc/11/53/19/411115319.db2.gz KBPYSSJUMMSQSL-LURJTMIESA-N 2 0 239.241 0.264 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000309382737 411120697 /nfs/dbraw/zinc/12/06/97/411120697.db2.gz DMJCPPGDZCSAQP-NXEZZACHSA-N 2 0 213.325 0.311 20 0 BCADRP CC[C@@H]1CN(C[C@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000309381020 411120775 /nfs/dbraw/zinc/12/07/75/411120775.db2.gz DIDQKLCHAYJUDQ-QJPTWQEYSA-N 2 0 211.353 0.655 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H]1CCC[NH2+]1 ZINC000309403656 411242389 /nfs/dbraw/zinc/24/23/89/411242389.db2.gz HTTNFTWKQZRXRL-SECBINFHSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)NCCC1(C[NH3+])CC1 ZINC000652211652 411172368 /nfs/dbraw/zinc/17/23/68/411172368.db2.gz GVOLXAMDNYQZMY-VIFPVBQESA-N 2 0 228.340 0.152 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)N[C@H](C)C[NH3+] ZINC000652213646 411172665 /nfs/dbraw/zinc/17/26/65/411172665.db2.gz ZFGJCDHWCGONTC-LLVKDONJSA-N 2 0 244.383 0.611 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCN1CCCC1=O ZINC000405464377 411172877 /nfs/dbraw/zinc/17/28/77/411172877.db2.gz ZKMNGVSEAASAEN-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401037935 411173172 /nfs/dbraw/zinc/17/31/72/411173172.db2.gz ZPBQFUHQCUZCRS-FRRDWIJNSA-N 3 0 225.380 0.916 20 0 BCADRP C[C@H](CCO)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401032884 411173332 /nfs/dbraw/zinc/17/33/32/411173332.db2.gz XOZFWXQUHXFFLX-MROQNXINSA-N 2 0 226.364 0.983 20 0 BCADRP CC(C)(CO)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401037915 411173611 /nfs/dbraw/zinc/17/36/11/411173611.db2.gz ZOTIQQFTCZESAF-SDDRHHMPSA-N 2 0 226.364 0.983 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061644093 411174611 /nfs/dbraw/zinc/17/46/11/411174611.db2.gz RDFRXSRAFZFOBN-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1nncn1C ZINC000401050633 411174633 /nfs/dbraw/zinc/17/46/33/411174633.db2.gz XYTVYQBKUCCGNF-IRCOFANPSA-N 2 0 249.362 0.854 20 0 BCADRP Cn1ccnc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401105746 411176156 /nfs/dbraw/zinc/17/61/56/411176156.db2.gz FIKNENHUGJUAFV-SDDRHHMPSA-N 2 0 234.347 0.898 20 0 BCADRP [NH3+]CC1(CCNC(=O)N2CCC[NH2+]CC2)CC1 ZINC000652231656 411176714 /nfs/dbraw/zinc/17/67/14/411176714.db2.gz BZLMPHWZSJWPGV-UHFFFAOYSA-N 2 0 240.351 0.120 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132956329 411177753 /nfs/dbraw/zinc/17/77/53/411177753.db2.gz MMOYFRJKGAWXFH-VWYCJHECSA-N 2 0 227.352 0.569 20 0 BCADRP Cn1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000401146118 411178526 /nfs/dbraw/zinc/17/85/26/411178526.db2.gz VGAIXMBVPIVBHU-FRRDWIJNSA-N 2 0 234.347 0.898 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000309601905 411183297 /nfs/dbraw/zinc/18/32/97/411183297.db2.gz WWBXYQXWIXTTCA-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000309601908 411183353 /nfs/dbraw/zinc/18/33/53/411183353.db2.gz WWBXYQXWIXTTCA-VHSXEESVSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000658093498 411243583 /nfs/dbraw/zinc/24/35/83/411243583.db2.gz VDBSZGURZFXAPC-ZJUUUORDSA-N 2 0 227.352 0.713 20 0 BCADRP Cc1nccn1Cc1cn(CCC[NH+](C)C)nn1 ZINC000656437570 411248197 /nfs/dbraw/zinc/24/81/97/411248197.db2.gz XZNQZJYHCFGDKB-UHFFFAOYSA-N 2 0 248.334 0.783 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000658093494 411243796 /nfs/dbraw/zinc/24/37/96/411243796.db2.gz VDBSZGURZFXAPC-VHSXEESVSA-N 2 0 227.352 0.713 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655516806 411186943 /nfs/dbraw/zinc/18/69/43/411186943.db2.gz ZESVWLBAJRXMLZ-RNFRBKRXSA-N 2 0 241.257 0.380 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000309913518 411189681 /nfs/dbraw/zinc/18/96/81/411189681.db2.gz OCZPAGNJYOLXFZ-UTUOFQBUSA-N 2 0 209.337 0.422 20 0 BCADRP C[C@H](C[NH2+][C@H](C)Cn1cncn1)C[NH+](C)C ZINC000658017911 411198272 /nfs/dbraw/zinc/19/82/72/411198272.db2.gz MBNSKQCVVKCFHA-GHMZBOCLSA-N 2 0 225.340 0.454 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN[C@H](C[NH3+])C(F)(F)F ZINC000656194870 411200719 /nfs/dbraw/zinc/20/07/19/411200719.db2.gz PWKLJTGZUPKIIX-HTQZYQBOSA-N 2 0 227.274 0.839 20 0 BCADRP [NH3+]CC1(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000656193287 411200831 /nfs/dbraw/zinc/20/08/31/411200831.db2.gz DXOLBRLGCVSSQH-QWRGUYRKSA-N 3 0 211.353 0.975 20 0 BCADRP CCc1nncn1CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656196789 411201672 /nfs/dbraw/zinc/20/16/72/411201672.db2.gz HIHJSKVHZZPCGL-WDEREUQCSA-N 2 0 237.351 0.700 20 0 BCADRP CC1(C)NC(=O)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656198791 411202926 /nfs/dbraw/zinc/20/29/26/411202926.db2.gz SGHRDRUAXKGZDC-MXWKQRLJSA-N 2 0 239.363 0.903 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC000656197806 411203174 /nfs/dbraw/zinc/20/31/74/411203174.db2.gz MIULRGYAOCHBGL-JQWIXIFHSA-N 2 0 239.363 0.905 20 0 BCADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CN(C)CCO1 ZINC000656198168 411203438 /nfs/dbraw/zinc/20/34/38/411203438.db2.gz IXDZWDLTPPHPOE-LOWDOPEQSA-N 2 0 241.379 0.565 20 0 BCADRP CCn1cnnc1CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656197416 411203498 /nfs/dbraw/zinc/20/34/98/411203498.db2.gz HXKMSIRRBLCVCM-MNOVXSKESA-N 2 0 237.351 0.700 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000652338480 411203770 /nfs/dbraw/zinc/20/37/70/411203770.db2.gz ICPMTHOPRFDOEU-RYUDHWBXSA-N 2 0 228.336 0.069 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC1CCC1 ZINC000652337966 411204629 /nfs/dbraw/zinc/20/46/29/411204629.db2.gz SNTUJGJDGCWXCV-LLVKDONJSA-N 2 0 200.326 0.689 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000652338357 411204940 /nfs/dbraw/zinc/20/49/40/411204940.db2.gz XARHELWDFFILMV-GFCCVEGCSA-N 2 0 230.352 0.458 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H]2[NH3+])C1 ZINC000656201390 411205764 /nfs/dbraw/zinc/20/57/64/411205764.db2.gz WUJBTCVBWNYAIL-USZNOCQGSA-N 2 0 211.353 0.796 20 0 BCADRP C[C@H]1CCC[N@H+](CCOCC[NH3+])[C@H]1CC[NH3+] ZINC000652355974 411215407 /nfs/dbraw/zinc/21/54/07/411215407.db2.gz OIPUSRZBZGEIRO-RYUDHWBXSA-N 3 0 229.368 0.411 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[NH2+]CC1(C)C ZINC000659294180 411219735 /nfs/dbraw/zinc/21/97/35/411219735.db2.gz MLIDRKVQQPAROH-UHFFFAOYSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000365199072 411246830 /nfs/dbraw/zinc/24/68/30/411246830.db2.gz FSZGDRMJKMJBNN-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]C[C@@H](NC(=O)CC1(C[NH3+])CC1)C(F)(F)F ZINC000655519732 411221774 /nfs/dbraw/zinc/22/17/74/411221774.db2.gz WRBGYTNNKKMFSV-ZCFIWIBFSA-N 2 0 239.241 0.121 20 0 BCADRP C[C@@H]([NH3+])CN1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000583935223 411246980 /nfs/dbraw/zinc/24/69/80/411246980.db2.gz YBAVMKCPYCGZQT-NXEZZACHSA-N 2 0 235.335 0.585 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@](C)(CO)OC)CC1 ZINC000655785151 411226000 /nfs/dbraw/zinc/22/60/00/411226000.db2.gz HNMLFMILJPXLGF-GFCCVEGCSA-N 2 0 230.352 0.458 20 0 BCADRP CO[C@](C)(CO)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000655785311 411226631 /nfs/dbraw/zinc/22/66/31/411226631.db2.gz LCYKFCIEQAMUJT-SRVKXCTJSA-N 2 0 230.352 0.456 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC(C)([NH3+])CC1 ZINC000309765354 411226969 /nfs/dbraw/zinc/22/69/69/411226969.db2.gz JKMOYHGWKKNCRH-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000659612358 411235968 /nfs/dbraw/zinc/23/59/68/411235968.db2.gz WDLJTHMKBDDHCT-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP CCC[NH2+]CCN[C@@H]1CC[N@H+](CCOC)C1 ZINC000423306957 411237412 /nfs/dbraw/zinc/23/74/12/411237412.db2.gz FWEFNTFYWBFRRN-GFCCVEGCSA-N 2 0 229.368 0.296 20 0 BCADRP NC(=O)C[N@H+](CC[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000396745463 411240308 /nfs/dbraw/zinc/24/03/08/411240308.db2.gz XYVCWYXAVQYVST-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP CNC(=O)[C@@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000396729298 411240332 /nfs/dbraw/zinc/24/03/32/411240332.db2.gz CUQVALHMGVSAOU-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP OC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000400968550 411166593 /nfs/dbraw/zinc/16/65/93/411166593.db2.gz OGCXIMNPBPWCIG-QJPTWQEYSA-N 2 0 224.348 0.879 20 0 BCADRP CC[C@@H](CO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400968055 411166799 /nfs/dbraw/zinc/16/67/99/411166799.db2.gz CPQNUEDJHSQNSO-FIQHERPVSA-N 2 0 212.337 0.735 20 0 BCADRP COC[C@H](CCO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400981383 411167313 /nfs/dbraw/zinc/16/73/13/411167313.db2.gz VQWLETSYKFPSRO-LOWDOPEQSA-N 2 0 242.363 0.362 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C[C@@H]1CC[NH2+]C1 ZINC000309840788 411267880 /nfs/dbraw/zinc/26/78/80/411267880.db2.gz OXTZQASLPJURLR-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000659641248 411275835 /nfs/dbraw/zinc/27/58/35/411275835.db2.gz FPWOLJAZORKCCH-IVZWLZJFSA-N 2 0 228.340 0.163 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000659641231 411276185 /nfs/dbraw/zinc/27/61/85/411276185.db2.gz FHVROMOYHAFXQJ-KOLCDFICSA-N 2 0 240.351 0.130 20 0 BCADRP c1c(C[NH2+]C2CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000656466284 411278031 /nfs/dbraw/zinc/27/80/31/411278031.db2.gz BDDKMLSFOSMDPH-SNVBAGLBSA-N 2 0 207.281 0.065 20 0 BCADRP C[NH+](C)CCc1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656466212 411278428 /nfs/dbraw/zinc/27/84/28/411278428.db2.gz ABCBQUXJHORUAZ-LLVKDONJSA-N 2 0 223.324 0.307 20 0 BCADRP CC(C)([NH3+])c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656466689 411278638 /nfs/dbraw/zinc/27/86/38/411278638.db2.gz GVYOIGWCKAUEBX-MRVPVSSYSA-N 2 0 209.297 0.396 20 0 BCADRP c1c(C[NH2+]C2CC2)nnn1[C@@H]1CCC[NH2+]C1 ZINC000656468488 411280412 /nfs/dbraw/zinc/28/04/12/411280412.db2.gz MMYHNMGZUNCELJ-LLVKDONJSA-N 2 0 221.308 0.455 20 0 BCADRP c1c(C[C@@H]2CCC[NH2+]C2)nnn1[C@H]1CC[NH2+]C1 ZINC000656468734 411280893 /nfs/dbraw/zinc/28/08/93/411280893.db2.gz RGMDBXGNQSPISU-JQWIXIFHSA-N 2 0 235.335 0.355 20 0 BCADRP [NH3+][C@@H](c1cn([C@H]2CC[NH2+]C2)nn1)c1ccccc1 ZINC000656468344 411280959 /nfs/dbraw/zinc/28/09/59/411280959.db2.gz LLVKCWHTBZZIGB-WCQYABFASA-N 2 0 243.314 0.861 20 0 BCADRP [NH3+]C1CCC(NC(=O)C[NH2+]CC2CC2)CC1 ZINC000051694790 411281162 /nfs/dbraw/zinc/28/11/62/411281162.db2.gz OQXZTIVHKNCECF-UHFFFAOYSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]([NH3+])CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000381043926 411284176 /nfs/dbraw/zinc/28/41/76/411284176.db2.gz CUSDMFNBAUZSNC-QMMMGPOBSA-N 2 0 207.277 0.821 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000659299890 411286658 /nfs/dbraw/zinc/28/66/58/411286658.db2.gz JOEGRHJRSGTZMB-UHFFFAOYSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000659643078 411286955 /nfs/dbraw/zinc/28/69/55/411286955.db2.gz NFUJIVATNDONJS-SECBINFHSA-N 2 0 230.356 0.221 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000062899027 411329142 /nfs/dbraw/zinc/32/91/42/411329142.db2.gz QFAGZUYHVPHUGP-JQWIXIFHSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000659302672 411294449 /nfs/dbraw/zinc/29/44/49/411294449.db2.gz IFWUKMREDASRSN-WDEREUQCSA-N 2 0 227.352 0.713 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000659643825 411295317 /nfs/dbraw/zinc/29/53/17/411295317.db2.gz UOILPPJAWRNJHG-GARJFASQSA-N 2 0 242.367 0.363 20 0 BCADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)NCC1C[NH2+]C1 ZINC000659304367 411296831 /nfs/dbraw/zinc/29/68/31/411296831.db2.gz BOGUWZHLXFCYEY-CYBMUJFWSA-N 2 0 245.326 0.557 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000336425954 167903918 /nfs/dbraw/zinc/90/39/18/167903918.db2.gz TXVQAFLZSRKDAR-WDEREUQCSA-N 2 0 239.363 0.633 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000336603949 167905723 /nfs/dbraw/zinc/90/57/23/167905723.db2.gz MDKSVZVVJDNFAZ-ZJUUUORDSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH+](C)CCNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655768481 411250824 /nfs/dbraw/zinc/25/08/24/411250824.db2.gz FSVFBIZQYVPQRM-CYBMUJFWSA-N 2 0 241.379 0.391 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000653444815 411255730 /nfs/dbraw/zinc/25/57/30/411255730.db2.gz PXMGLVMRRWRTLC-KXUCPTDWSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000653444700 411256477 /nfs/dbraw/zinc/25/64/77/411256477.db2.gz AMQOFXXXTPAATC-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CC1([NH3+])CCC1 ZINC000653445690 411257290 /nfs/dbraw/zinc/25/72/90/411257290.db2.gz PIZYMSBULKNYER-UWVGGRQHSA-N 2 0 225.336 0.596 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000050464464 411258820 /nfs/dbraw/zinc/25/88/20/411258820.db2.gz HMKZVTPFPPMGMW-AXFHLTTASA-N 2 0 225.336 0.180 20 0 BCADRP C[C@@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC000125149142 411349639 /nfs/dbraw/zinc/34/96/39/411349639.db2.gz LOBPINXKZZHFMC-SNVBAGLBSA-N 2 0 200.326 0.689 20 0 BCADRP COC[C@@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)OC ZINC000660616467 411355504 /nfs/dbraw/zinc/35/55/04/411355504.db2.gz LOGFAQXVXXSOFM-OLZOCXBDSA-N 2 0 242.363 0.675 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000130610203 411357753 /nfs/dbraw/zinc/35/77/53/411357753.db2.gz SLXDXVJBYCGTCO-GFCCVEGCSA-N 2 0 248.330 0.468 20 0 BCADRP c1cn(C[C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC000656787585 411366276 /nfs/dbraw/zinc/36/62/76/411366276.db2.gz NXTLPRKJSIMVDP-OLZOCXBDSA-N 2 0 249.362 0.600 20 0 BCADRP C[NH+]1CCC(NCC2([NH3+])CCCC2)CC1 ZINC000656788723 411367640 /nfs/dbraw/zinc/36/76/40/411367640.db2.gz BROPBRXAUBJDKL-UHFFFAOYSA-N 2 0 211.353 0.942 20 0 BCADRP C[C@@H]1C[C@H]([N@H+](C)CCCO)CCN1C ZINC000123476713 411368205 /nfs/dbraw/zinc/36/82/05/411368205.db2.gz WOXKRASVXSOFKM-GHMZBOCLSA-N 2 0 200.326 0.783 20 0 BCADRP C[N@H+](C[C@H]1CCC[NH2+]C1)C[C@H]1COCCO1 ZINC000656791352 411370609 /nfs/dbraw/zinc/37/06/09/411370609.db2.gz ZHEPGLWVRUUHJB-RYUDHWBXSA-N 2 0 228.336 0.333 20 0 BCADRP C[C@@]12COC[C@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000656791682 411370901 /nfs/dbraw/zinc/37/09/01/411370901.db2.gz IYGGKPWJSGSTBD-CHWSQXEVSA-N 2 0 224.348 0.954 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973215 411334126 /nfs/dbraw/zinc/33/41/26/411334126.db2.gz HTUATTLSXXEGFO-QWRGUYRKSA-N 2 0 225.336 0.420 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973575 411334135 /nfs/dbraw/zinc/33/41/35/411334135.db2.gz FXYSAFKQYAXBSG-RYUDHWBXSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973216 411334573 /nfs/dbraw/zinc/33/45/73/411334573.db2.gz HTUATTLSXXEGFO-MNOVXSKESA-N 2 0 225.336 0.420 20 0 BCADRP CCCCOCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150949 411336386 /nfs/dbraw/zinc/33/63/86/411336386.db2.gz SECVPIRBKCMPOA-UHFFFAOYSA-N 2 0 243.395 0.640 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCC1 ZINC000659313099 411337232 /nfs/dbraw/zinc/33/72/32/411337232.db2.gz MJWMKKDXVARINP-JTQLQIEISA-N 2 0 243.351 0.079 20 0 BCADRP CC1(CNC(=O)C2([NH3+])CCCC2)CC[NH2+]CC1 ZINC000181289601 168027597 /nfs/dbraw/zinc/02/75/97/168027597.db2.gz AOKREIFWIQFCOF-UHFFFAOYSA-N 2 0 239.363 0.764 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC000346142575 168177019 /nfs/dbraw/zinc/17/70/19/168177019.db2.gz RTHZORBCTXHKJW-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP CC1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC000019685372 168177293 /nfs/dbraw/zinc/17/72/93/168177293.db2.gz UOSJVXSSZVEYHG-UHFFFAOYSA-N 2 0 225.336 0.150 20 0 BCADRP CC1CC[NH+](CC(=O)N2CCC([NH3+])CC2)CC1 ZINC000032025343 168177935 /nfs/dbraw/zinc/17/79/35/168177935.db2.gz MGXOGOZYLTYOEU-UHFFFAOYSA-N 2 0 239.363 0.668 20 0 BCADRP CC1CC[NH+](CCCNC(=O)CCC[NH3+])CC1 ZINC000040832985 168179437 /nfs/dbraw/zinc/17/94/37/168179437.db2.gz GSLCWWKXDNZMAM-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@H](C[NH+](C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC000346142574 168180022 /nfs/dbraw/zinc/18/00/22/168180022.db2.gz RTHZORBCTXHKJW-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCC[NH+]1CCC(C)CC1 ZINC000040772664 168180772 /nfs/dbraw/zinc/18/07/72/168180772.db2.gz DLTISOWLGMGGFS-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]1CCC[N@H+](CCC(=O)N(C)C)[C@@H]1CC[NH3+] ZINC000404287049 411388398 /nfs/dbraw/zinc/38/83/98/411388398.db2.gz INJNLMXMRQCMAQ-NWDGAFQWSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@H]1CCCN(C(=O)C[NH+](C)C)[C@@H]1CC[NH3+] ZINC000404286503 411388997 /nfs/dbraw/zinc/38/89/97/411388997.db2.gz IGQDRFSVMHIZFA-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP [NH3+]C1(C(=O)NC[C@H]2CCC[NH2+]2)CC2(CCC2)C1 ZINC000659295675 411389349 /nfs/dbraw/zinc/38/93/49/411389349.db2.gz XYVGSFRQQNRYMD-SNVBAGLBSA-N 2 0 237.347 0.516 20 0 BCADRP CC(C)[NH2+]CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000659311539 411387026 /nfs/dbraw/zinc/38/70/26/411387026.db2.gz WUSHXNYBCMIZKM-NSHDSACASA-N 2 0 227.352 0.633 20 0 BCADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[NH+](C)C ZINC000309788168 168301677 /nfs/dbraw/zinc/30/16/77/168301677.db2.gz OOUNZOFDKJFSAU-SNVBAGLBSA-N 2 0 229.368 0.831 20 0 BCADRP C[C@@H](CNC(=O)NCCC[NH+](C)C)[NH+](C)C ZINC000654852421 411456154 /nfs/dbraw/zinc/45/61/54/411456154.db2.gz MKOOGYYUBFQGSK-JTQLQIEISA-N 2 0 230.356 0.187 20 0 BCADRP C[C@@H](C(=O)N1CC[NH2+]C(C)(C)C1)[NH+]1CC(C)C1 ZINC000654854847 411456289 /nfs/dbraw/zinc/45/62/89/411456289.db2.gz RUONYISTOYBPHT-NSHDSACASA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000638197869 411457135 /nfs/dbraw/zinc/45/71/35/411457135.db2.gz PPOUUKQZNXYOIC-MXWKQRLJSA-N 2 0 225.336 0.289 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000659311851 411393116 /nfs/dbraw/zinc/39/31/16/411393116.db2.gz QXEMISAWVHIBEX-SNVBAGLBSA-N 2 0 227.352 0.489 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000659330689 411395745 /nfs/dbraw/zinc/39/57/45/411395745.db2.gz UCPBESNWUGPHOZ-PHIMTYICSA-N 2 0 227.352 0.441 20 0 BCADRP CC[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CO1 ZINC000657325174 411464542 /nfs/dbraw/zinc/46/45/42/411464542.db2.gz GJJXOUMKOXEADI-RWMBFGLXSA-N 2 0 242.363 0.600 20 0 BCADRP c1ncn(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000336692261 411400477 /nfs/dbraw/zinc/40/04/77/411400477.db2.gz HNICZKBJVWECNU-NWDGAFQWSA-N 2 0 235.335 0.495 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659347826 411401067 /nfs/dbraw/zinc/40/10/67/411401067.db2.gz KFUUNIJCAGPYQP-RAIGVLPGSA-N 2 0 247.342 0.596 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000653044039 411401614 /nfs/dbraw/zinc/40/16/14/411401614.db2.gz PBXCWLBLVFSNKZ-GRYCIOLGSA-N 2 0 237.347 0.337 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653044185 411401959 /nfs/dbraw/zinc/40/19/59/411401959.db2.gz WGDLBRJTHWUOLT-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP CN(C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000653049787 411402895 /nfs/dbraw/zinc/40/28/95/411402895.db2.gz CVRPKLGREBWKBA-UTUOFQBUSA-N 2 0 237.347 0.337 20 0 BCADRP CN(C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000653049785 411402927 /nfs/dbraw/zinc/40/29/27/411402927.db2.gz CVRPKLGREBWKBA-SRVKXCTJSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653046610 411402998 /nfs/dbraw/zinc/40/29/98/411402998.db2.gz GZQRVZQRVIUQGI-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)O[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000404653954 411403143 /nfs/dbraw/zinc/40/31/43/411403143.db2.gz SFPXHDXYLYYFPD-GFCCVEGCSA-N 2 0 230.352 0.851 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000653046381 411403218 /nfs/dbraw/zinc/40/32/18/411403218.db2.gz XMFNKXYUODIBJJ-NWDGAFQWSA-N 2 0 239.363 0.492 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]CC1 ZINC000653048182 411403914 /nfs/dbraw/zinc/40/39/14/411403914.db2.gz OABLBMNVTXFDHB-MNOVXSKESA-N 2 0 225.336 0.244 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653048170 411404176 /nfs/dbraw/zinc/40/41/76/411404176.db2.gz NHISGWSUHVEOLU-SDDRHHMPSA-N 2 0 237.347 0.385 20 0 BCADRP CN(C(=O)[C@@H]1CCC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000653049813 411404395 /nfs/dbraw/zinc/40/43/95/411404395.db2.gz GMEAFWHBGWECJN-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+][C@@H]1CN(C(=O)CC[NH2+]C2CC2)CC[C@H]1F ZINC000659385069 411404508 /nfs/dbraw/zinc/40/45/08/411404508.db2.gz NFMVJAQOPDUIPZ-NXEZZACHSA-N 2 0 229.299 0.026 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC[NH2+]1 ZINC000653050831 411404738 /nfs/dbraw/zinc/40/47/38/411404738.db2.gz ZUXYMVPUSZNUTL-JLLWLGSASA-N 2 0 237.347 0.337 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC[NH2+]1 ZINC000653050830 411405173 /nfs/dbraw/zinc/40/51/73/411405173.db2.gz ZUXYMVPUSZNUTL-ADEWGFFLSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC000653050429 411405191 /nfs/dbraw/zinc/40/51/91/411405191.db2.gz ZZAZUDIGHKIVCR-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH3+])C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659371592 411405199 /nfs/dbraw/zinc/40/51/99/411405199.db2.gz XFSFKEYVSHSFPC-CABZTGNLSA-N 2 0 249.314 0.633 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653052195 411405835 /nfs/dbraw/zinc/40/58/35/411405835.db2.gz XMTYEUAUJANYNK-UTUOFQBUSA-N 2 0 239.363 0.617 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653052194 411406132 /nfs/dbraw/zinc/40/61/32/411406132.db2.gz XMTYEUAUJANYNK-IJLUTSLNSA-N 2 0 239.363 0.617 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653052119 411406144 /nfs/dbraw/zinc/40/61/44/411406144.db2.gz VZHLZSYDVWQLLU-GHMZBOCLSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000659378170 411406548 /nfs/dbraw/zinc/40/65/48/411406548.db2.gz XRXZYBCLXDENJB-OUAUKWLOSA-N 2 0 227.352 0.700 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653054665 411406892 /nfs/dbraw/zinc/40/68/92/411406892.db2.gz ILSSXJFKMSHWKS-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)CC[C@@H](N)C(=O)NCC1CCCCC1 ZINC000653056436 411408131 /nfs/dbraw/zinc/40/81/31/411408131.db2.gz GKTMGFNLNPXXOE-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659388921 411409775 /nfs/dbraw/zinc/40/97/75/411409775.db2.gz NUKKQWIAWPOCRQ-GWOFURMSSA-N 2 0 243.326 0.272 20 0 BCADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000404887374 411410828 /nfs/dbraw/zinc/41/08/28/411410828.db2.gz NIQVFYRGYROGNU-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000404887375 411410936 /nfs/dbraw/zinc/41/09/36/411410936.db2.gz NIQVFYRGYROGNU-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH+](C)C)C1 ZINC000654548429 411411069 /nfs/dbraw/zinc/41/10/69/411411069.db2.gz QNDJXWKHEWYULO-NWDGAFQWSA-N 2 0 241.379 0.878 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)C[NH2+]C ZINC000659449092 411416607 /nfs/dbraw/zinc/41/66/07/411416607.db2.gz QFMJAFIUNRMPPH-WDEREUQCSA-N 2 0 244.383 0.624 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000659460319 411417608 /nfs/dbraw/zinc/41/76/08/411417608.db2.gz OAIJNDLMDOHOQH-DCAQKATOSA-N 2 0 242.367 0.376 20 0 BCADRP CCN(C)C[C@H](O)C[N@H+](CCO)CC(C)(C)C ZINC000653553911 411420126 /nfs/dbraw/zinc/42/01/26/411420126.db2.gz ISTWCTPZNYOUKH-LBPRGKRZSA-N 2 0 246.395 0.639 20 0 BCADRP [NH3+]C1(CNC(=O)NC2CC[NH2+]CC2)CCCC1 ZINC000659504709 411422697 /nfs/dbraw/zinc/42/26/97/411422697.db2.gz IBKZDKZYIAFGSW-UHFFFAOYSA-N 2 0 240.351 0.309 20 0 BCADRP C[C@@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+](C)C ZINC000659501396 411423021 /nfs/dbraw/zinc/42/30/21/411423021.db2.gz MBIXEGONQIYDSF-IVZWLZJFSA-N 2 0 246.330 0.017 20 0 BCADRP C[C@@H](C(=O)NC(C)(C)C[NH+](C)C)[NH+](C)C ZINC000654659075 411424010 /nfs/dbraw/zinc/42/40/10/411424010.db2.gz VSPLBYPYYPGDKO-VIFPVBQESA-N 2 0 215.341 0.393 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH3+])C1 ZINC000659510401 411424779 /nfs/dbraw/zinc/42/47/79/411424779.db2.gz ORSRYNMTPSKYGN-SNVBAGLBSA-N 2 0 228.340 0.119 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000659512317 411424864 /nfs/dbraw/zinc/42/48/64/411424864.db2.gz UWTIWZGZSQVSPE-HBNTYKKESA-N 2 0 242.367 0.282 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000659512314 411424968 /nfs/dbraw/zinc/42/49/68/411424968.db2.gz UWTIWZGZSQVSPE-DCAQKATOSA-N 2 0 242.367 0.282 20 0 BCADRP CCO[C@@H]1C[N@@H+]([C@H](C)COC)C[C@H]1C[NH3+] ZINC000405370627 411427051 /nfs/dbraw/zinc/42/70/51/411427051.db2.gz JLWMSYZISCHMKS-GMTAPVOTSA-N 2 0 216.325 0.317 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659522254 411427966 /nfs/dbraw/zinc/42/79/66/411427966.db2.gz JMIDXFJYXBSLPE-UHFFFAOYSA-N 2 0 244.383 0.883 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659522545 411428240 /nfs/dbraw/zinc/42/82/40/411428240.db2.gz CQOGKKPTESBTAS-SNVBAGLBSA-N 2 0 244.383 0.883 20 0 BCADRP CCC[NH2+]CCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659525410 411428359 /nfs/dbraw/zinc/42/83/59/411428359.db2.gz GASQTOXRPUOZGV-LLVKDONJSA-N 2 0 244.383 0.659 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000659527791 411428969 /nfs/dbraw/zinc/42/89/69/411428969.db2.gz BEPPMBUQLPGSFZ-JTQLQIEISA-N 2 0 242.367 0.283 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)CC[NH3+] ZINC000659528320 411429043 /nfs/dbraw/zinc/42/90/43/411429043.db2.gz QQSAXJFSRWFROU-NXEZZACHSA-N 2 0 230.356 0.396 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC1CC[NH2+]CC1 ZINC000131604708 411431218 /nfs/dbraw/zinc/43/12/18/411431218.db2.gz PEVKWFWYACWVOQ-UHFFFAOYSA-N 2 0 227.352 0.490 20 0 BCADRP [NH3+][C@@H](CCC(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000126344115 411432286 /nfs/dbraw/zinc/43/22/86/411432286.db2.gz PIDHOQCRGPGUJR-OLZOCXBDSA-N 2 0 247.342 0.945 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659557455 411435557 /nfs/dbraw/zinc/43/55/57/411435557.db2.gz YDALHRBQOUEOSV-GHHKWEBWSA-N 2 0 240.351 0.163 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OC)CC1 ZINC000653612975 411439744 /nfs/dbraw/zinc/43/97/44/411439744.db2.gz OWGLBWCESCFOLD-OLZOCXBDSA-N 2 0 244.379 0.800 20 0 BCADRP CCCNC(=O)[C@@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000414689701 411439856 /nfs/dbraw/zinc/43/98/56/411439856.db2.gz GNNTZWHFXLHYGD-LLVKDONJSA-N 2 0 227.352 0.573 20 0 BCADRP CCCCNC(=O)[C@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000414689734 411439864 /nfs/dbraw/zinc/43/98/64/411439864.db2.gz GSRIEHMXSUBVGS-LBPRGKRZSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]1)[NH+](C)C ZINC000070618973 411440990 /nfs/dbraw/zinc/44/09/90/411440990.db2.gz GWOVGCIQKHTMOY-ONGXEEELSA-N 2 0 213.325 0.195 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000659440454 411441855 /nfs/dbraw/zinc/44/18/55/411441855.db2.gz HNFJWEAGEUPVGZ-SNVBAGLBSA-N 2 0 228.340 0.071 20 0 BCADRP CCO[C@@H]1C[N@@H+]([C@@H](C)CCOC)C[C@H]1C[NH3+] ZINC000405852823 411443282 /nfs/dbraw/zinc/44/32/82/411443282.db2.gz KFCWZQKPZHNZIR-QJPTWQEYSA-N 2 0 230.352 0.707 20 0 BCADRP C[C@@H](O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657285156 411443363 /nfs/dbraw/zinc/44/33/63/411443363.db2.gz XAMJYXOSOHBZNL-SNVBAGLBSA-N 2 0 232.287 0.738 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NCC[N@H+]1CC=CCC1 ZINC000659635973 411445446 /nfs/dbraw/zinc/44/54/46/411445446.db2.gz SFHNPATVRVIAAI-LLVKDONJSA-N 2 0 240.351 0.155 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000659515043 411468084 /nfs/dbraw/zinc/46/80/84/411468084.db2.gz HGZGDLWJPYLBPN-WDEREUQCSA-N 2 0 242.367 0.411 20 0 BCADRP CO[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCOC1 ZINC000659850350 411475728 /nfs/dbraw/zinc/47/57/28/411475728.db2.gz OKENFGSBLFIZHO-MROQNXINSA-N 2 0 240.347 0.189 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407354928 411481025 /nfs/dbraw/zinc/48/10/25/411481025.db2.gz NUYFIIBENQUAPT-NWDGAFQWSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+][C@H](CNC(=O)NCC1([NH3+])CCCC1)C1CC1 ZINC000659527190 411485361 /nfs/dbraw/zinc/48/53/61/411485361.db2.gz JZLOKTNBKUUHFP-SNVBAGLBSA-N 2 0 240.351 0.294 20 0 BCADRP CC[C@H]1CN(C(=O)CC[NH2+]C)CC[C@H]1[NH3+] ZINC000309466122 411496506 /nfs/dbraw/zinc/49/65/06/411496506.db2.gz PZVKMRHELOLINU-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000127668163 411500418 /nfs/dbraw/zinc/50/04/18/411500418.db2.gz RGJCUDTWANMTRY-CMPLNLGQSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH2+]C2)[C@H]1C[NH3+] ZINC000127663541 411500799 /nfs/dbraw/zinc/50/07/99/411500799.db2.gz BDNUKXPZNSKMIR-WOPDTQHZSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000659543782 411512300 /nfs/dbraw/zinc/51/23/00/411512300.db2.gz RIROXRBRBGXJLF-MWLCHTKSSA-N 2 0 242.367 0.411 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000659543781 411512325 /nfs/dbraw/zinc/51/23/25/411512325.db2.gz RIROXRBRBGXJLF-KOLCDFICSA-N 2 0 242.367 0.411 20 0 BCADRP Cn1nncc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826992 411529916 /nfs/dbraw/zinc/52/99/16/411529916.db2.gz LJAKQYVXVVRSRO-AOOOYVTPSA-N 2 0 223.324 0.245 20 0 BCADRP C[C@H](CO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657325352 411465034 /nfs/dbraw/zinc/46/50/34/411465034.db2.gz IEIMOMHHJZSSQB-SNVBAGLBSA-N 2 0 232.287 0.738 20 0 BCADRP C[C@@H](CNC(=O)CCC(C)(C)[NH3+])[NH+](C)C ZINC000069633861 411465341 /nfs/dbraw/zinc/46/53/41/411465341.db2.gz ZOIOJJLIPWNGLZ-VIFPVBQESA-N 2 0 215.341 0.570 20 0 BCADRP C[C@@H](CO)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657328255 411465861 /nfs/dbraw/zinc/46/58/61/411465861.db2.gz SONCTXYWJNOTGY-LLVKDONJSA-N 2 0 246.314 0.985 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)CCC(C)(C)[NH3+])C1 ZINC000069633946 411465889 /nfs/dbraw/zinc/46/58/89/411465889.db2.gz CIUPAQNGNOJENJ-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042168019 170006951 /nfs/dbraw/zinc/00/69/51/170006951.db2.gz SMIVJPVJSJQAJZ-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](C)[NH3+])C1 ZINC000037484157 170007010 /nfs/dbraw/zinc/00/70/10/170007010.db2.gz VXSQCQOFBYSDOU-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CO)COC2)[C@H](C)C1 ZINC000358348706 170012516 /nfs/dbraw/zinc/01/25/16/170012516.db2.gz WBQDDUIVYLGEFY-VXGBXAGGSA-N 2 0 242.363 0.315 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000037643507 170014927 /nfs/dbraw/zinc/01/49/27/170014927.db2.gz JTIIIXKYYWMFHT-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000040922629 170015082 /nfs/dbraw/zinc/01/50/82/170015082.db2.gz LYMHVJJMBBWVIB-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000037643429 170015359 /nfs/dbraw/zinc/01/53/59/170015359.db2.gz LTJCCLCXRPBKSN-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])C(C)C)C1 ZINC000037484134 170015457 /nfs/dbraw/zinc/01/54/57/170015457.db2.gz AWHNLYIRYMEVNU-GHMZBOCLSA-N 2 0 227.352 0.428 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCC[NH3+])C[C@H]1C ZINC000357065269 170018200 /nfs/dbraw/zinc/01/82/00/170018200.db2.gz ABXNLHFIEQXVHO-OLZOCXBDSA-N 3 0 243.395 0.766 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C[NH3+])C[C@H]1C ZINC000357253134 170019067 /nfs/dbraw/zinc/01/90/67/170019067.db2.gz WRUGUOCSNKKDDI-TUAOUCFPSA-N 2 0 241.379 0.912 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](O)COC)[C@@H](C)C1 ZINC000305766299 170020150 /nfs/dbraw/zinc/02/01/50/170020150.db2.gz FRESOFLJMYGSGF-XQQFMLRXSA-N 2 0 244.379 0.704 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2COCCO2)[C@H](C)C1 ZINC000358224506 170020447 /nfs/dbraw/zinc/02/04/47/170020447.db2.gz QXQUBJFMKFFZSZ-AGIUHOORSA-N 2 0 242.363 0.722 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C(F)F)[C@@H](C)C1 ZINC000336778403 170021694 /nfs/dbraw/zinc/02/16/94/170021694.db2.gz LHIZJRSNACUMCZ-LPEHRKFASA-N 2 0 236.306 0.932 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(N)=O)[C@H](C)C1 ZINC000309910797 170022149 /nfs/dbraw/zinc/02/21/49/170022149.db2.gz MRXNRUVLSHJQLF-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)NC)[C@@H](C)C1 ZINC000361669734 170022586 /nfs/dbraw/zinc/02/25/86/170022586.db2.gz DIOUJBXLJJBFGF-TUAOUCFPSA-N 2 0 241.379 0.831 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CO)[C@H](C)C1 ZINC000123309171 170022645 /nfs/dbraw/zinc/02/26/45/170022645.db2.gz BYPJZLPKGFKBCN-VWYCJHECSA-N 2 0 200.326 0.687 20 0 BCADRP CCNC(=O)[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000036794711 170096211 /nfs/dbraw/zinc/09/62/11/170096211.db2.gz CCLQJJDPJVVZJE-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH2+]CCNC(=O)C1(C[NH3+])CCCC1 ZINC000236887582 170113417 /nfs/dbraw/zinc/11/34/17/170113417.db2.gz FPGQMOIODWSIIJ-UHFFFAOYSA-N 2 0 213.325 0.231 20 0 BCADRP CC[NH2+]CCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000195232006 170114241 /nfs/dbraw/zinc/11/42/41/170114241.db2.gz SFCXTEWMYKTVNG-CYBMUJFWSA-N 2 0 235.331 0.586 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000368126227 170114338 /nfs/dbraw/zinc/11/43/38/170114338.db2.gz QAYKJYFYUARTDW-WDEREUQCSA-N 2 0 227.352 0.346 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000236915120 170114439 /nfs/dbraw/zinc/11/44/39/170114439.db2.gz JQGPZNGKCDOZLX-NEPJUHHUSA-N 2 0 241.379 0.738 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000236916880 170114501 /nfs/dbraw/zinc/11/45/01/170114501.db2.gz JQGPZNGKCDOZLX-NWDGAFQWSA-N 2 0 241.379 0.738 20 0 BCADRP CC[NH2+]CCNC(=O)C[NH+](CC)CC ZINC000236905901 170114838 /nfs/dbraw/zinc/11/48/38/170114838.db2.gz OEFHSIHSNSZMTI-UHFFFAOYSA-N 2 0 201.314 0.054 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000236914744 170115006 /nfs/dbraw/zinc/11/50/06/170115006.db2.gz GVQNHZJMQQWPEY-LLVKDONJSA-N 2 0 241.379 0.738 20 0 BCADRP CC[C@H](CCO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000217810846 411552021 /nfs/dbraw/zinc/55/20/21/411552021.db2.gz AIEJCEPNOCGRGW-NEPJUHHUSA-N 2 0 230.352 0.194 20 0 BCADRP CC[NH2+][C@@H](C)CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000358917510 170138666 /nfs/dbraw/zinc/13/86/66/170138666.db2.gz VDGQEIYXBQCRSB-SDDRHHMPSA-N 2 0 241.379 0.973 20 0 BCADRP CC[NH2+][C@@H](C)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000358918890 170140167 /nfs/dbraw/zinc/14/01/67/170140167.db2.gz XDJGSZDCKNYHBO-AAEUAGOBSA-N 2 0 249.358 0.671 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000358915912 170157704 /nfs/dbraw/zinc/15/77/04/170157704.db2.gz QICCLIVPDNLRBK-ZYHUDNBSSA-N 2 0 227.352 0.490 20 0 BCADRP CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724101 170247629 /nfs/dbraw/zinc/24/76/29/170247629.db2.gz YGJSKEHPOUFDMJ-GHMZBOCLSA-N 2 0 228.336 0.999 20 0 BCADRP C[C@@H](Cn1cncn1)[NH2+]CCC[NH+]1CCCC1 ZINC000657823441 411607245 /nfs/dbraw/zinc/60/72/45/411607245.db2.gz GPBQBXJOODFLQK-LBPRGKRZSA-N 2 0 237.351 0.742 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659373 411614427 /nfs/dbraw/zinc/61/44/27/411614427.db2.gz ORVPHAGNRNXCMI-CHWSQXEVSA-N 2 0 242.363 0.411 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493426 411671789 /nfs/dbraw/zinc/67/17/89/411671789.db2.gz BNMRGOPWOFMHDL-QCNOEVLYSA-N 2 0 209.337 0.278 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493961 411672361 /nfs/dbraw/zinc/67/23/61/411672361.db2.gz FNPYDUKMLHNMHU-RNJOBUHISA-N 2 0 223.364 0.798 20 0 BCADRP C(c1nc2c(s1)C[NH2+]CC2)N1CC[NH2+]CC1 ZINC000663494897 411674391 /nfs/dbraw/zinc/67/43/91/411674391.db2.gz LJNTXUVZTXHQHM-UHFFFAOYSA-N 2 0 238.360 0.194 20 0 BCADRP CC(C)[C@H]1CN(C[C@@]23C[C@@H]2C[NH2+]C3)CC[NH2+]1 ZINC000663495260 411674472 /nfs/dbraw/zinc/67/44/72/411674472.db2.gz WLPNDVFDLBGGGT-UPJWGTAASA-N 2 0 223.364 0.526 20 0 BCADRP CN(C[C@]12C[C@H]1C[NH2+]C2)C1CC[NH2+]CC1 ZINC000663495136 411674572 /nfs/dbraw/zinc/67/45/72/411674572.db2.gz NOVKJTYFJAOXIX-CMPLNLGQSA-N 2 0 209.337 0.280 20 0 BCADRP CCCC[C@H](C[NH3+])NC[C@]12C[C@H]1C[NH2+]C2 ZINC000663494850 411674956 /nfs/dbraw/zinc/67/49/56/411674956.db2.gz SOCHZCXVMPUUPY-QJPTWQEYSA-N 2 0 211.353 0.703 20 0 BCADRP C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@]12C[C@H]1C[NH2+]C2 ZINC000663494821 411675566 /nfs/dbraw/zinc/67/55/66/411675566.db2.gz SGLAKQLVUFXFPW-WUHRBBMRSA-N 2 0 221.348 0.422 20 0 BCADRP CCCC[C@H](C[NH3+])NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494852 411675845 /nfs/dbraw/zinc/67/58/45/411675845.db2.gz SOCHZCXVMPUUPY-UTUOFQBUSA-N 2 0 211.353 0.703 20 0 BCADRP C[C@@H]1CN(C[C@@]23C[C@@H]2C[NH2+]C3)C[C@@]1(C)C[NH3+] ZINC000663495969 411676489 /nfs/dbraw/zinc/67/64/89/411676489.db2.gz BKBALUYWWAYXCD-LPWJVIDDSA-N 2 0 223.364 0.513 20 0 BCADRP C[C@@H]1CCN(C[C@@]23C[C@@H]2C[NH2+]C3)C[C@H]1C[NH3+] ZINC000663495866 411677049 /nfs/dbraw/zinc/67/70/49/411677049.db2.gz BGMHFRIWCMIIIK-LPWJVIDDSA-N 2 0 223.364 0.513 20 0 BCADRP C[C@]1(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)CC[NH2+]C1 ZINC000663500051 411683460 /nfs/dbraw/zinc/68/34/60/411683460.db2.gz IMZFEFWNHBWVJM-UPJWGTAASA-N 2 0 224.348 0.954 20 0 BCADRP [NH3+]C[C@H](NC[C@@]12C[C@@H]1C[NH2+]C2)C(F)(F)F ZINC000663500309 411684175 /nfs/dbraw/zinc/68/41/75/411684175.db2.gz ZZESDPMMHQZLBV-CSMHCCOUSA-N 2 0 223.242 0.075 20 0 BCADRP C[C@@H]1C[C@@H](C[NH2+]CC23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000663501571 411685723 /nfs/dbraw/zinc/68/57/23/411685723.db2.gz XSAQCDDAFYGPDW-IALDZJHCSA-N 3 0 223.364 0.716 20 0 BCADRP C[C@H](NCC12CC(C1)C[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000663501298 411685859 /nfs/dbraw/zinc/68/58/59/411685859.db2.gz UYFCWMNPXDBBNT-GMKTYKIGSA-N 2 0 223.364 0.716 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC[C@]1(C)CC[NH2+]C1 ZINC000663503933 411687439 /nfs/dbraw/zinc/68/74/39/411687439.db2.gz UHHWAYDLNDDKGB-NEPJUHHUSA-N 2 0 213.369 0.949 20 0 BCADRP CC[N@@H+]1CC[C@H](N[C@@H](C)C[NH2+]C)[C@H](C)C1 ZINC000663512054 411691588 /nfs/dbraw/zinc/69/15/88/411691588.db2.gz DWCPPEGRLUPPKY-WOPDTQHZSA-N 2 0 213.369 0.914 20 0 BCADRP CN1CCN(CC[C@@H]2CCC[N@@H+]2C)CCC1=O ZINC000661807119 411887288 /nfs/dbraw/zinc/88/72/88/411887288.db2.gz MGBAQZMJAGCFGL-LBPRGKRZSA-N 2 0 239.363 0.635 20 0 BCADRP COc1c(N)ncnc1NCC[C@H](C)[NH+](C)C ZINC000664246954 411896670 /nfs/dbraw/zinc/89/66/70/411896670.db2.gz ZPVWVKKPYYDCHI-QMMMGPOBSA-N 2 0 239.323 0.820 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cnc(N)s2)C[C@H]1C[NH3+] ZINC000634999107 411908495 /nfs/dbraw/zinc/90/84/95/411908495.db2.gz QBOJWUSBEHFTOQ-HTQZYQBOSA-N 2 0 226.349 0.752 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368643905 170796108 /nfs/dbraw/zinc/79/61/08/170796108.db2.gz BPQCYDRJPUNHJE-KATARQTJSA-N 2 0 231.315 0.176 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ccc(N)nc2)C[C@H]1C[NH3+] ZINC000634998336 411910608 /nfs/dbraw/zinc/91/06/08/411910608.db2.gz DJUHSHWKHNWCHM-MWLCHTKSSA-N 2 0 220.320 0.690 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(Cc2ccnc(N)c2)CCO1 ZINC000647865767 411920376 /nfs/dbraw/zinc/92/03/76/411920376.db2.gz SABLKVKHZWTGOU-ONGXEEELSA-N 2 0 236.319 0.212 20 0 BCADRP Nc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cn1 ZINC000647547774 411975587 /nfs/dbraw/zinc/97/55/87/411975587.db2.gz DDGYSARGHMTYJC-ONGXEEELSA-N 2 0 220.320 0.881 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000662139788 412001732 /nfs/dbraw/zinc/00/17/32/412001732.db2.gz BTNPENVXZWDTHX-RWMBFGLXSA-N 2 0 244.379 0.249 20 0 BCADRP O[C@@H]1CC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC000662153782 412008786 /nfs/dbraw/zinc/00/87/86/412008786.db2.gz CBZPJRRJKVGFMS-CYBMUJFWSA-N 2 0 224.348 0.927 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000219974915 412009052 /nfs/dbraw/zinc/00/90/52/412009052.db2.gz UHWANJPHWODOJM-SNVBAGLBSA-N 2 0 227.352 0.583 20 0 BCADRP CCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153617 412009330 /nfs/dbraw/zinc/00/93/30/412009330.db2.gz ASCOIGAUIVVIDP-LBPRGKRZSA-N 2 0 212.337 0.927 20 0 BCADRP COC[C@H](C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C)OC ZINC000662265549 412058781 /nfs/dbraw/zinc/05/87/81/412058781.db2.gz QXKRMOIVGLMIMP-AXFHLTTASA-N 2 0 216.325 0.317 20 0 BCADRP C[NH2+]C[C@@H]1CCCN([C@H]2CCCN(C)C2=O)C1 ZINC000662236133 412033894 /nfs/dbraw/zinc/03/38/94/412033894.db2.gz CTOBERMAZZOJAD-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]C[C@@H]1CCCN([C@@H]2CCCN(C)C2=O)C1 ZINC000662236132 412034543 /nfs/dbraw/zinc/03/45/43/412034543.db2.gz CTOBERMAZZOJAD-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP COC[C@@H](C[N@H+](C)C1CC[NH2+]CC1)OC ZINC000662238450 412034943 /nfs/dbraw/zinc/03/49/43/412034943.db2.gz QBJVMNWNGJVOPO-LLVKDONJSA-N 2 0 216.325 0.332 20 0 BCADRP [NH3+]C[C@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662246821 412043148 /nfs/dbraw/zinc/04/31/48/412043148.db2.gz SGNLQJUUPGTLEL-RKDXNWHRSA-N 2 0 220.263 0.691 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C[C@@H](COC)OC ZINC000662247061 412045066 /nfs/dbraw/zinc/04/50/66/412045066.db2.gz XSPZWNJITUKYPM-MNOVXSKESA-N 2 0 216.325 0.332 20 0 BCADRP COC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662249008 412046327 /nfs/dbraw/zinc/04/63/27/412046327.db2.gz NEVCHKZGLYOGHJ-GFCCVEGCSA-N 2 0 240.347 0.618 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C[C@H]1C[NH2+]CCO1 ZINC000662248213 412046919 /nfs/dbraw/zinc/04/69/19/412046919.db2.gz WECZRLIOGLBJKE-VXGBXAGGSA-N 2 0 229.368 0.280 20 0 BCADRP CO[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662251536 412049413 /nfs/dbraw/zinc/04/94/13/412049413.db2.gz DXWATNYALRASBP-NEPJUHHUSA-N 2 0 240.347 0.618 20 0 BCADRP CC(C)CC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286337 412052192 /nfs/dbraw/zinc/05/21/92/412052192.db2.gz RCKNTYGZBVDZSE-UHFFFAOYSA-N 2 0 200.326 0.737 20 0 BCADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662272571 412062243 /nfs/dbraw/zinc/06/22/43/412062243.db2.gz GSZMGLVUCFPNJO-NWDGAFQWSA-N 3 0 239.363 0.178 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[NH3+] ZINC000375846330 171099766 /nfs/dbraw/zinc/09/97/66/171099766.db2.gz DSGMRNTWAAHYBD-MNOVXSKESA-N 2 0 225.336 0.420 20 0 BCADRP COC[C@@H](C[N@@H+]1CCC[C@H](CC[NH3+])C1)OC ZINC000662273736 412064718 /nfs/dbraw/zinc/06/47/18/412064718.db2.gz ZIFGJYIDTBNCDU-VXGBXAGGSA-N 2 0 230.352 0.709 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000353528468 171146429 /nfs/dbraw/zinc/14/64/29/171146429.db2.gz SWJNJNTVDGUZRU-BJDJZHNGSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000353130894 171148351 /nfs/dbraw/zinc/14/83/51/171148351.db2.gz PQHJILYQUMOLHM-FIQHERPVSA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000353463446 171149466 /nfs/dbraw/zinc/14/94/66/171149466.db2.gz VMENRIMTCXETGB-ZJUUUORDSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[C@@H]1CCC[NH2+]1 ZINC000353429838 171149499 /nfs/dbraw/zinc/14/94/99/171149499.db2.gz UVPGVDIBIMEALJ-TUAOUCFPSA-N 2 0 239.363 0.633 20 0 BCADRP C([C@H]1C[NH2+]CCO1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662277572 412069479 /nfs/dbraw/zinc/06/94/79/412069479.db2.gz QFSVZJXDXLPINB-OLZOCXBDSA-N 2 0 239.363 0.050 20 0 BCADRP CN(Cc1cccc2c1CC[NH2+]C2)C[C@@H](O)C[NH3+] ZINC000662277661 412069535 /nfs/dbraw/zinc/06/95/35/412069535.db2.gz RPOKVWPFHFINDR-ZDUSSCGKSA-N 2 0 249.358 0.084 20 0 BCADRP CO[C@H](C[N@H+](C)C[C@H](O)C[NH3+])C1CCCCC1 ZINC000662276902 412069721 /nfs/dbraw/zinc/06/97/21/412069721.db2.gz NDEVHCMDURRTPB-CHWSQXEVSA-N 2 0 244.379 0.833 20 0 BCADRP CC[C@@]1(C(=O)N2CCC[NH2+]CC2)CCC[NH2+]1 ZINC000128771295 171194530 /nfs/dbraw/zinc/19/45/30/171194530.db2.gz ZRTFWRLINAGSCA-LBPRGKRZSA-N 2 0 225.336 0.341 20 0 BCADRP CC[C@@]1(C(=O)N2CCC[C@@H]([NH2+]C)C2)CC[NH2+]C1 ZINC000119224334 171195216 /nfs/dbraw/zinc/19/52/16/171195216.db2.gz KJQVTIOPVFKBHY-DGCLKSJQSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CCC[NH2+]1 ZINC000134621984 171195367 /nfs/dbraw/zinc/19/53/67/171195367.db2.gz PBEHPWLGHLTCON-PWSUYJOCSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@@]1(C(=O)N2CC[NH2+][C@H](C)C2)CCC[NH2+]1 ZINC000134368410 171195372 /nfs/dbraw/zinc/19/53/72/171195372.db2.gz DPAUJIOXNMFHOU-PWSUYJOCSA-N 2 0 225.336 0.339 20 0 BCADRP CC[C@@]1(C(=O)NCc2ncc[nH]2)CCC[NH2+]1 ZINC000129039045 171195541 /nfs/dbraw/zinc/19/55/41/171195541.db2.gz AGXGRAJAUJPPLI-NSHDSACASA-N 2 0 222.292 0.558 20 0 BCADRP CC[C@@]1(C(=O)NCCCC[NH+](C)C)CCC[NH2+]1 ZINC000122033084 171196326 /nfs/dbraw/zinc/19/63/26/171196326.db2.gz KRLMXPVQVFNFHV-ZDUSSCGKSA-N 2 0 241.379 0.977 20 0 BCADRP CC[C@@]1(C(=O)NCCCC[NH3+])CCC[NH2+]1 ZINC000128991283 171196444 /nfs/dbraw/zinc/19/64/44/171196444.db2.gz NLLXJVNQUDNRKR-NSHDSACASA-N 2 0 213.325 0.374 20 0 BCADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662286921 412077259 /nfs/dbraw/zinc/07/72/59/412077259.db2.gz UANFPPHWAJGCSP-UTUOFQBUSA-N 2 0 240.347 0.353 20 0 BCADRP OCC1([NH2+]CCC2CCC2)CC[NH2+]CC1 ZINC000662285175 412077581 /nfs/dbraw/zinc/07/75/81/412077581.db2.gz YZEKYUPEBNWFDH-UHFFFAOYSA-N 2 0 212.337 0.881 20 0 BCADRP CC[C@H](C(=O)N1CCC([NH+](C)C)CC1)[NH+](C)C ZINC000120844026 171223857 /nfs/dbraw/zinc/22/38/57/171223857.db2.gz BSWUAHJWSNFPBE-GFCCVEGCSA-N 2 0 241.379 0.879 20 0 BCADRP CC[C@H](C(=O)NC(C)(C)C[NH3+])[NH+](CC)CC ZINC000359436708 171226261 /nfs/dbraw/zinc/22/62/61/171226261.db2.gz XTCJJJBNIUJFGQ-SNVBAGLBSA-N 2 0 229.368 0.960 20 0 BCADRP CC[C@H](C(=O)NCC[NH+](CC)CC)[NH+](C)C ZINC000124409499 171227844 /nfs/dbraw/zinc/22/78/44/171227844.db2.gz LPWMBXBRUQHHEF-LLVKDONJSA-N 2 0 229.368 0.785 20 0 BCADRP CC[C@H](C(=O)NCC[N@H+](C)C1CC1)[NH+](C)C ZINC000338269352 171227986 /nfs/dbraw/zinc/22/79/86/171227986.db2.gz CSVMASSHHGEPGW-LLVKDONJSA-N 2 0 227.352 0.537 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000338963478 171233501 /nfs/dbraw/zinc/23/35/01/171233501.db2.gz KCEDLNMJVPFPHL-GRYCIOLGSA-N 2 0 241.379 0.926 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000338272776 171233700 /nfs/dbraw/zinc/23/37/00/171233700.db2.gz UNRHWIFEWOVOOU-CMPLNLGQSA-N 2 0 239.363 0.680 20 0 BCADRP [NH3+]CC1(O)CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000662283876 412074561 /nfs/dbraw/zinc/07/45/61/412074561.db2.gz RAPNGNQJBZZZDX-LBPRGKRZSA-N 2 0 242.363 0.731 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662283822 412075172 /nfs/dbraw/zinc/07/51/72/412075172.db2.gz QGJBTTUODAZOCA-IJLUTSLNSA-N 3 0 239.363 0.367 20 0 BCADRP OCC1([NH2+]CC[C@H]2CCCCO2)CC[NH2+]CC1 ZINC000662284953 412077783 /nfs/dbraw/zinc/07/77/83/412077783.db2.gz SCKXHXZRFNBORD-GFCCVEGCSA-N 2 0 242.363 0.650 20 0 BCADRP CO[C@H](C[NH+]1CCC(O)(C[NH3+])CC1)C1CCC1 ZINC000662284374 412076023 /nfs/dbraw/zinc/07/60/23/412076023.db2.gz VTMPQKAQBMUNKQ-GFCCVEGCSA-N 2 0 242.363 0.587 20 0 BCADRP CCN1CC[C@H]([NH+]2CCC(CC[NH3+])CC2)C1=O ZINC000662285057 412078191 /nfs/dbraw/zinc/07/81/91/412078191.db2.gz VKDLGWFSIZORDJ-LBPRGKRZSA-N 2 0 239.363 0.668 20 0 BCADRP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514412 171331059 /nfs/dbraw/zinc/33/10/59/171331059.db2.gz MSRJWOZMLCSYIG-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP CNC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291176 412080330 /nfs/dbraw/zinc/08/03/30/412080330.db2.gz CPYYEKGRUAWHBX-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)CN(C)C ZINC000042554811 171365995 /nfs/dbraw/zinc/36/59/95/171365995.db2.gz CLJNJFTYRZOXQU-AXFHLTTASA-N 2 0 202.342 0.933 20 0 BCADRP CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)CN(C)C ZINC000042554817 171389325 /nfs/dbraw/zinc/38/93/25/171389325.db2.gz CLJNJFTYRZOXQU-DCAQKATOSA-N 2 0 202.342 0.933 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000247331701 171392880 /nfs/dbraw/zinc/39/28/80/171392880.db2.gz VCRPGQDGARYNCS-GUBZILKMSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000040807180 171394099 /nfs/dbraw/zinc/39/40/99/171394099.db2.gz JQBLLONYWZTMPB-UWVGGRQHSA-N 2 0 229.368 0.816 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC000044526598 171394382 /nfs/dbraw/zinc/39/43/82/171394382.db2.gz LOCPKPORQOJDHK-JQWIXIFHSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+](C)CC ZINC000054132969 171395186 /nfs/dbraw/zinc/39/51/86/171395186.db2.gz SOSFHJFTKIUKQD-UWVGGRQHSA-N 2 0 215.341 0.428 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368210735 171395664 /nfs/dbraw/zinc/39/56/64/171395664.db2.gz DFXIQIIYFADJNW-AXFHLTTASA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000662388593 412140043 /nfs/dbraw/zinc/14/00/43/412140043.db2.gz ROKIGTWSPPFYOI-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000662387167 412140364 /nfs/dbraw/zinc/14/03/64/412140364.db2.gz ITWWLEWYZVRGFT-UTUOFQBUSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+]CCNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662390278 412141290 /nfs/dbraw/zinc/14/12/90/412141290.db2.gz KUSYFHPLIOMZTO-UHFFFAOYSA-N 2 0 225.317 0.082 20 0 BCADRP C[C@H](CO)[C@H]1CCCC[N@@H+]1CCOCC[NH3+] ZINC000662300787 412087169 /nfs/dbraw/zinc/08/71/69/412087169.db2.gz JOGMMXWECHYYKH-VXGBXAGGSA-N 2 0 230.352 0.445 20 0 BCADRP C[C@H](CO)[C@H]1CCCC[N@@H+]1CCC[NH3+] ZINC000662301227 412087510 /nfs/dbraw/zinc/08/75/10/412087510.db2.gz PMDRXCVYXFLKDJ-GHMZBOCLSA-N 2 0 200.326 0.818 20 0 BCADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1COCCO1 ZINC000662307731 412092275 /nfs/dbraw/zinc/09/22/75/412092275.db2.gz YJXANWIVQABUJX-STQMWFEESA-N 2 0 242.363 0.723 20 0 BCADRP C[N@H+](CCC1CC[NH2+]CC1)C[C@@H]1COCCO1 ZINC000662306782 412092765 /nfs/dbraw/zinc/09/27/65/412092765.db2.gz SKDWQONGXZRFIC-CYBMUJFWSA-N 2 0 242.363 0.723 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)NC1CC[NH2+]CC1 ZINC000662390624 412141651 /nfs/dbraw/zinc/14/16/51/412141651.db2.gz PNBHUMKYUCQXAH-NSHDSACASA-N 2 0 241.379 0.866 20 0 BCADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1COCCO1 ZINC000662307733 412093053 /nfs/dbraw/zinc/09/30/53/412093053.db2.gz YKRKZGXLVLKITQ-NWDGAFQWSA-N 2 0 228.336 0.333 20 0 BCADRP C[C@]12COC[C@H]1C[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000662312205 412094533 /nfs/dbraw/zinc/09/45/33/412094533.db2.gz XMPJXTAEXQJKFU-UPJWGTAASA-N 2 0 224.348 0.954 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000662314410 412095523 /nfs/dbraw/zinc/09/55/23/412095523.db2.gz PABORIIHQOULCV-GRYCIOLGSA-N 2 0 230.352 0.456 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662316193 412096594 /nfs/dbraw/zinc/09/65/94/412096594.db2.gz WMBREFXLGWWWOI-GFCCVEGCSA-N 2 0 228.336 0.464 20 0 BCADRP C[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000662313540 412097043 /nfs/dbraw/zinc/09/70/43/412097043.db2.gz UYMRNBHJCJRRMD-UTUOFQBUSA-N 2 0 211.353 0.655 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000662389453 412141971 /nfs/dbraw/zinc/14/19/71/412141971.db2.gz XOZNIJCZYBVKFJ-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H](O)CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322949 412101170 /nfs/dbraw/zinc/10/11/70/412101170.db2.gz JWOJEBBNQJSAPO-STQMWFEESA-N 2 0 244.379 0.800 20 0 BCADRP N[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CC[C@H]1F ZINC000662325925 412101984 /nfs/dbraw/zinc/10/19/84/412101984.db2.gz LMCGYDNDNQYLPI-GMTAPVOTSA-N 2 0 215.316 0.357 20 0 BCADRP C[C@H]([NH3+])CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662327287 412104529 /nfs/dbraw/zinc/10/45/29/412104529.db2.gz MDZARLJWMCTRAO-NWDGAFQWSA-N 2 0 229.368 0.376 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)C[C@H]1CC1(C)C ZINC000662332464 412106333 /nfs/dbraw/zinc/10/63/33/412106333.db2.gz WDQNDNVLTIOYIX-ZYHUDNBSSA-N 2 0 214.353 0.935 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@@H](CC)[NH2+]C)CC1 ZINC000662357191 412121685 /nfs/dbraw/zinc/12/16/85/412121685.db2.gz YGWAYAYXEGCESW-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000662392180 412142827 /nfs/dbraw/zinc/14/28/27/412142827.db2.gz PWPOEZTZLUUYBJ-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP COC[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)C1CCOCC1 ZINC000665236318 412176448 /nfs/dbraw/zinc/17/64/48/412176448.db2.gz KFUDDIMIISHEPU-ZWNOBZJWSA-N 2 0 242.363 0.626 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000662442111 412177085 /nfs/dbraw/zinc/17/70/85/412177085.db2.gz QJPLFGZMECNPAR-MWLCHTKSSA-N 2 0 227.352 0.583 20 0 BCADRP COC[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)C1CCOCC1 ZINC000665236316 412177285 /nfs/dbraw/zinc/17/72/85/412177285.db2.gz KFUDDIMIISHEPU-GXFFZTMASA-N 2 0 242.363 0.626 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000662447457 412177479 /nfs/dbraw/zinc/17/74/79/412177479.db2.gz WJOAYGAWVJYMAE-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP OC/C=C/C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000665239595 412180295 /nfs/dbraw/zinc/18/02/95/412180295.db2.gz VEZHHGUWECJEAD-QKLCKZQASA-N 2 0 210.321 0.513 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)C[NH2+]C(C)C ZINC000662457847 412180992 /nfs/dbraw/zinc/18/09/92/412180992.db2.gz SYUSLMYAGUOBOL-UHFFFAOYSA-N 2 0 229.368 0.833 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000662553772 412214641 /nfs/dbraw/zinc/21/46/41/412214641.db2.gz LGIDPYRHSCRYJY-AXFHLTTASA-N 2 0 225.336 0.100 20 0 BCADRP C[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C2)[C@@H]2CCC[C@H]21 ZINC000665241612 412184495 /nfs/dbraw/zinc/18/44/95/412184495.db2.gz STSMDFUDXQTYRF-ZDEQEGDKSA-N 2 0 223.364 0.811 20 0 BCADRP C1C[C@H]2C[C@H](N[C@H]3CC[NH2+]C3)CC[N@@H+]2C1 ZINC000665242918 412186353 /nfs/dbraw/zinc/18/63/53/412186353.db2.gz OMHPFRBJLVWDAJ-WOPDTQHZSA-N 2 0 209.337 0.565 20 0 BCADRP CO[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000665245332 412189771 /nfs/dbraw/zinc/18/97/71/412189771.db2.gz FSXANZXUBQVJPR-GWOFURMSSA-N 2 0 216.325 0.363 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000662486270 412191045 /nfs/dbraw/zinc/19/10/45/412191045.db2.gz WEDSCVGJNNKHSX-GRYCIOLGSA-N 2 0 239.363 0.680 20 0 BCADRP CC1(C)NC(=O)CC[C@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000665246522 412191137 /nfs/dbraw/zinc/19/11/37/412191137.db2.gz HNIDRWNNSPSOKG-SNVBAGLBSA-N 2 0 239.363 0.905 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000662554437 412214983 /nfs/dbraw/zinc/21/49/83/412214983.db2.gz VBXDRDNQEAUSPF-CMPLNLGQSA-N 2 0 227.352 0.490 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662514432 412201285 /nfs/dbraw/zinc/20/12/85/412201285.db2.gz KAAGCYLQNIODIV-ZYHUDNBSSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000662520282 412202597 /nfs/dbraw/zinc/20/25/97/412202597.db2.gz HEJSPPCXPWQBJO-GARJFASQSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC(C)(C)[NH+](C)C ZINC000662522567 412204245 /nfs/dbraw/zinc/20/42/45/412204245.db2.gz AKAVANAYMJROKM-VIFPVBQESA-N 2 0 215.341 0.441 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCCC[NH+](C)C ZINC000662523330 412204488 /nfs/dbraw/zinc/20/44/88/412204488.db2.gz LUJZIDYDZCWLAZ-SECBINFHSA-N 2 0 201.314 0.052 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000662533524 412207513 /nfs/dbraw/zinc/20/75/13/412207513.db2.gz RFNJDSXNEJDBMZ-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000662539666 412208299 /nfs/dbraw/zinc/20/82/99/412208299.db2.gz HBKWPWNDDNTXHU-KXUCPTDWSA-N 2 0 225.336 0.336 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662550670 412212516 /nfs/dbraw/zinc/21/25/16/412212516.db2.gz FHLFQUJLUCHNTB-VIFPVBQESA-N 2 0 233.315 0.757 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662549117 412212731 /nfs/dbraw/zinc/21/27/31/412212731.db2.gz KWACLBOGTBGCEE-YTWAJWBKSA-N 2 0 225.336 0.310 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000662396153 412145469 /nfs/dbraw/zinc/14/54/69/412145469.db2.gz SXFRWIMDEOFANK-NSHDSACASA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC1CC[NH2+]CC1 ZINC000662395874 412145794 /nfs/dbraw/zinc/14/57/94/412145794.db2.gz QVHZKLMSHSJGIY-SNVBAGLBSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662395941 412146356 /nfs/dbraw/zinc/14/63/56/412146356.db2.gz MOBJCVFNCXHKCG-LLVKDONJSA-N 2 0 237.347 0.481 20 0 BCADRP C[NH2+]CCCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662399048 412147087 /nfs/dbraw/zinc/14/70/87/412147087.db2.gz ZPEBWBGEJBAZLL-UHFFFAOYSA-N 2 0 240.307 0.208 20 0 BCADRP C[NH2+]CCCNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662397910 412147422 /nfs/dbraw/zinc/14/74/22/412147422.db2.gz MBFLYJOZLDMOCP-UHFFFAOYSA-N 2 0 247.342 0.672 20 0 BCADRP CC[NH2+]CCCNC(=O)C[NH2+]C(C)C ZINC000662398804 412147897 /nfs/dbraw/zinc/14/78/97/412147897.db2.gz CNLBJEFRRLQFCP-UHFFFAOYSA-N 2 0 201.314 0.100 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C1)C1([NH2+]C2CC2)CCC1 ZINC000662400811 412148755 /nfs/dbraw/zinc/14/87/55/412148755.db2.gz GKAGVUZNKDSWEO-JTQLQIEISA-N 2 0 223.320 0.139 20 0 BCADRP C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000662402542 412149478 /nfs/dbraw/zinc/14/94/78/412149478.db2.gz BPDYTGCOIPKNNT-LMLFDSFASA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@H]1C ZINC000662403067 412149994 /nfs/dbraw/zinc/14/99/94/412149994.db2.gz SZPKKNYIZGPQCX-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000662405606 412152105 /nfs/dbraw/zinc/15/21/05/412152105.db2.gz ZPMAILWHBRLGGS-GUBZILKMSA-N 2 0 213.325 0.099 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC1CCC([NH3+])CC1 ZINC000662405964 412152246 /nfs/dbraw/zinc/15/22/46/412152246.db2.gz SUPVEIAXSOHDSX-UDNWOFFPSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662410241 412154582 /nfs/dbraw/zinc/15/45/82/412154582.db2.gz PXKVNUHCEVFFSU-VIFPVBQESA-N 2 0 225.336 0.454 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000662412653 412155629 /nfs/dbraw/zinc/15/56/29/412155629.db2.gz RPYUMNZVMVBAHJ-ZJUUUORDSA-N 2 0 225.336 0.243 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000662412650 412155681 /nfs/dbraw/zinc/15/56/81/412155681.db2.gz RPYUMNZVMVBAHJ-NXEZZACHSA-N 2 0 225.336 0.243 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000662412651 412156086 /nfs/dbraw/zinc/15/60/86/412156086.db2.gz RPYUMNZVMVBAHJ-UWVGGRQHSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)C[NH2+]C(C)C)C1 ZINC000662413356 412156565 /nfs/dbraw/zinc/15/65/65/412156565.db2.gz FFUQZOTWXXFHGP-JTQLQIEISA-N 2 0 213.325 0.052 20 0 BCADRP [NH3+]CC1(NC(=O)[C@H]2C[C@H]([NH3+])C2)CCCC1 ZINC000662416397 412158844 /nfs/dbraw/zinc/15/88/44/412158844.db2.gz CJQYOQWNHDWYQT-KYZUINATSA-N 2 0 211.309 0.111 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)C1CCCCC1 ZINC000662418330 412159476 /nfs/dbraw/zinc/15/94/76/412159476.db2.gz RVLSCPCEYNXYMT-SRVKXCTJSA-N 2 0 239.363 0.748 20 0 BCADRP CN(CCC[NH3+])C(=O)c1cccc2c1C[NH2+]C2 ZINC000662420215 412161393 /nfs/dbraw/zinc/16/13/93/412161393.db2.gz DWAFRKIIKLNFCF-UHFFFAOYSA-N 2 0 233.315 0.711 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000662420281 412161446 /nfs/dbraw/zinc/16/14/46/412161446.db2.gz SEXBVDATNWFZEW-GUBZILKMSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662420550 412161873 /nfs/dbraw/zinc/16/18/73/412161873.db2.gz ATVKWDJFUSTTTO-VHSXEESVSA-N 2 0 225.336 0.454 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000662420282 412162023 /nfs/dbraw/zinc/16/20/23/412162023.db2.gz SEXBVDATNWFZEW-KXUCPTDWSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000662424058 412163798 /nfs/dbraw/zinc/16/37/98/412163798.db2.gz SLNFGXDSHLVGFM-CMPLNLGQSA-N 2 0 229.368 0.864 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000662552283 412214008 /nfs/dbraw/zinc/21/40/08/412214008.db2.gz RKPQOKLBPMEOLX-BBBLOLIVSA-N 2 0 213.325 0.180 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)c1cccc2c1C[NH2+]C2 ZINC000662426250 412165018 /nfs/dbraw/zinc/16/50/18/412165018.db2.gz VTJLMOYIAGXQSP-LLVKDONJSA-N 2 0 245.326 0.853 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000662425230 412165189 /nfs/dbraw/zinc/16/51/89/412165189.db2.gz YSKAMNNDNCOPAH-UTLUCORTSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000662429203 412167321 /nfs/dbraw/zinc/16/73/21/412167321.db2.gz UCNWJSDXYXXLEM-QWRGUYRKSA-N 2 0 229.368 0.816 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000662649852 412255074 /nfs/dbraw/zinc/25/50/74/412255074.db2.gz SQWYTAGMNZUIFC-SNVBAGLBSA-N 2 0 225.336 0.374 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCC2([NH3+])CCCC2)C1 ZINC000662649422 412256744 /nfs/dbraw/zinc/25/67/44/412256744.db2.gz PFHRJUBPFFNRPK-GHMZBOCLSA-N 2 0 239.363 0.892 20 0 BCADRP CC[NH+](CC)CC(=O)NCC1([NH3+])CCCC1 ZINC000662650610 412257856 /nfs/dbraw/zinc/25/78/56/412257856.db2.gz CGRMGNUGPVSRKM-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000662655723 412258401 /nfs/dbraw/zinc/25/84/01/412258401.db2.gz RMNYDCOOTHHMCS-UWVGGRQHSA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)[NH+](CCNC(=O)[C@H]1C[C@H]([NH3+])C1)C(C)C ZINC000662660481 412261313 /nfs/dbraw/zinc/26/13/13/412261313.db2.gz DWJCSHWFUMFTOI-HAQNSBGRSA-N 2 0 241.379 0.959 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000662669092 412266413 /nfs/dbraw/zinc/26/64/13/412266413.db2.gz VCHDBRAVIOCVQV-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)C[C@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)[NH+](C)C ZINC000662673644 412266951 /nfs/dbraw/zinc/26/69/51/412266951.db2.gz PIOTXJJXEDRUJF-IJLUTSLNSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)[NH+](C)C ZINC000662693041 412267417 /nfs/dbraw/zinc/26/74/17/412267417.db2.gz NCEFQGRFSHUJHN-VHSXEESVSA-N 2 0 227.352 0.441 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC2CC1(C[NH3+])C2)[NH+](C)C ZINC000662679790 412268133 /nfs/dbraw/zinc/26/81/33/412268133.db2.gz BTDKDPQVWKYHNL-AKJDGMEZSA-N 2 0 239.363 0.522 20 0 BCADRP [NH3+]CC1(CC(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662679778 412268501 /nfs/dbraw/zinc/26/85/01/412268501.db2.gz CNIWOWSINRKANQ-UHFFFAOYSA-N 2 0 223.320 0.065 20 0 BCADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662679774 412268891 /nfs/dbraw/zinc/26/88/91/412268891.db2.gz BSESZVRCBQWMJY-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000662682942 412269290 /nfs/dbraw/zinc/26/92/90/412269290.db2.gz KVGHCUKFFJMTRF-BGZAYEDQSA-N 2 0 249.358 0.326 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000662682638 412269414 /nfs/dbraw/zinc/26/94/14/412269414.db2.gz MTNCCIGQTVGARD-CVZZAPKMSA-N 2 0 249.358 0.326 20 0 BCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662683657 412269535 /nfs/dbraw/zinc/26/95/35/412269535.db2.gz VJLPTEAYRIHXNG-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000662682691 412269666 /nfs/dbraw/zinc/26/96/66/412269666.db2.gz RZNWDXGPLARDIS-DDHJBXDOSA-N 2 0 237.347 0.467 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC2CC1(C[NH3+])C2)[C@@H](C)[NH3+] ZINC000662683939 412270715 /nfs/dbraw/zinc/27/07/15/412270715.db2.gz XMKGQOIEVQPICE-YLXHPXFOSA-N 2 0 239.363 0.556 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)NCCCCn2ccnc2)C1 ZINC000662689378 412272170 /nfs/dbraw/zinc/27/21/70/412272170.db2.gz FXWXCWPEIKIICM-XYPYZODXSA-N 2 0 236.319 0.517 20 0 BCADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(C)(C)[NH3+] ZINC000662694821 412274337 /nfs/dbraw/zinc/27/43/37/412274337.db2.gz UALDXKTUEZFULC-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662702737 412276020 /nfs/dbraw/zinc/27/60/20/412276020.db2.gz MEWYTAPZEMUHAK-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000662703514 412276561 /nfs/dbraw/zinc/27/65/61/412276561.db2.gz LBJZXNIAHCRHFX-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000662703221 412276757 /nfs/dbraw/zinc/27/67/57/412276757.db2.gz HGRQIUIZNKYESH-DLOVCJGASA-N 2 0 239.363 0.570 20 0 BCADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000662714601 412281578 /nfs/dbraw/zinc/28/15/78/412281578.db2.gz JKKGBQVMCIEHJO-HJGSJEJJSA-N 2 0 249.358 0.244 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662723074 412284051 /nfs/dbraw/zinc/28/40/51/412284051.db2.gz DOHHYLJFDKAAFH-SQLBVSGCSA-N 2 0 225.336 0.228 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662723941 412284219 /nfs/dbraw/zinc/28/42/19/412284219.db2.gz JPRJFSIZEPRIEY-ZYXZCXLHSA-N 2 0 225.336 0.372 20 0 BCADRP CC[NH+](CC)CC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662729204 412285856 /nfs/dbraw/zinc/28/58/56/412285856.db2.gz HCWGNGQKSSBZSE-LLVKDONJSA-N 2 0 229.368 0.818 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000662731084 412286320 /nfs/dbraw/zinc/28/63/20/412286320.db2.gz XVZFYYJJQFFYOU-LOWVWBTDSA-N 2 0 239.363 0.476 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000662730492 412286822 /nfs/dbraw/zinc/28/68/22/412286822.db2.gz GXKSFJNQRVLKKE-OPRDCNLKSA-N 2 0 215.341 0.459 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662731767 412286984 /nfs/dbraw/zinc/28/69/84/412286984.db2.gz IZBXPBXXUDDPSJ-SNVBAGLBSA-N 2 0 215.341 0.474 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000662556210 412216160 /nfs/dbraw/zinc/21/61/60/412216160.db2.gz NBLUCYSDQMBTGB-GUBZILKMSA-N 2 0 213.325 0.371 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000662564828 412219927 /nfs/dbraw/zinc/21/99/27/412219927.db2.gz YGPREYXRYYESFV-SRVKXCTJSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)CCO1 ZINC000665278341 412220471 /nfs/dbraw/zinc/22/04/71/412220471.db2.gz BLUCJANWLOGCIZ-VOBJUBJWSA-N 2 0 210.321 0.896 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000662565718 412221134 /nfs/dbraw/zinc/22/11/34/412221134.db2.gz GVYBLUOLVBDNRT-NKWVEPMBSA-N 2 0 223.267 0.083 20 0 BCADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc2c1C[NH2+]C2 ZINC000662565582 412221208 /nfs/dbraw/zinc/22/12/08/412221208.db2.gz PEAACWUYALPUES-ITGUQSILSA-N 2 0 243.310 0.237 20 0 BCADRP C[C@H](C[C@H]1COCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000665279465 412221729 /nfs/dbraw/zinc/22/17/29/412221729.db2.gz CWYCGTSFHGKZFI-IGJPJIBNSA-N 2 0 239.363 0.095 20 0 BCADRP C[C@@H]1C[C@@H](NCC23CC(C2)C[NH2+]3)C[N@@H+]1C1CC1 ZINC000665277517 412221809 /nfs/dbraw/zinc/22/18/09/412221809.db2.gz DFDRRKNGBCCXRT-KTEZZQQRSA-N 2 0 235.375 0.953 20 0 BCADRP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)C(C)(C)n1cncn1 ZINC000665279528 412223434 /nfs/dbraw/zinc/22/34/34/412223434.db2.gz FRHLECUIHPQFEF-XSRFYTQQSA-N 2 0 249.362 0.743 20 0 BCADRP C[C@@H](NCC12CC(C1)C[NH2+]2)c1c[nH+]ccc1N ZINC000665279713 412223572 /nfs/dbraw/zinc/22/35/72/412223572.db2.gz KIELKXOCJDGTAD-TTXORMCVSA-N 2 0 232.331 0.897 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665280143 412224330 /nfs/dbraw/zinc/22/43/30/412224330.db2.gz UNEHURXIOFSFFA-LVFLEHKBSA-N 2 0 209.337 0.455 20 0 BCADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)CC(N)=O ZINC000665279943 412224953 /nfs/dbraw/zinc/22/49/53/412224953.db2.gz PUZBKYKBZSMQER-DTWKUNHWSA-N 2 0 201.314 0.213 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)CCC[NH2+]C ZINC000662574404 412226615 /nfs/dbraw/zinc/22/66/15/412226615.db2.gz HYZGDNTULIDGMB-VIFPVBQESA-N 2 0 201.314 0.052 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000662578382 412227729 /nfs/dbraw/zinc/22/77/29/412227729.db2.gz ACAPGBBLUMMVJH-WDEREUQCSA-N 2 0 237.347 0.468 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)Cc1c[nH]cn1 ZINC000662584479 412228736 /nfs/dbraw/zinc/22/87/36/412228736.db2.gz BDYXSQFUZVEXNF-QMMMGPOBSA-N 2 0 210.281 0.224 20 0 BCADRP CN(Cc1c[nH]cn1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662584624 412228915 /nfs/dbraw/zinc/22/89/15/412228915.db2.gz CZULMXMFAKXSQA-ZJUUUORDSA-N 2 0 222.292 0.496 20 0 BCADRP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000665296691 412232230 /nfs/dbraw/zinc/23/22/30/412232230.db2.gz WLRUUMAVGZGATA-ZJUUUORDSA-N 2 0 200.326 0.999 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)c1ccc(C[NH3+])o1 ZINC000662605405 412232622 /nfs/dbraw/zinc/23/26/22/412232622.db2.gz NTENPJSKBFPGFV-UHFFFAOYSA-N 2 0 225.292 0.548 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662592166 412233430 /nfs/dbraw/zinc/23/34/30/412233430.db2.gz XOBYIEJNVOTVPA-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]CCC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662592499 412234033 /nfs/dbraw/zinc/23/40/33/412234033.db2.gz YKVUCDFLFBXVTM-LBPRGKRZSA-N 2 0 239.363 0.573 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662602042 412235562 /nfs/dbraw/zinc/23/55/62/412235562.db2.gz MCXIGNHILMWHRZ-MRVPVSSYSA-N 2 0 201.314 0.180 20 0 BCADRP CC[C@@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665289044 412235605 /nfs/dbraw/zinc/23/56/05/412235605.db2.gz DSYMSJUPSOCTHG-SSDOTTSWSA-N 2 0 210.281 0.529 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662604507 412236266 /nfs/dbraw/zinc/23/62/66/412236266.db2.gz FTKYRNAJSDEFSY-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)CC1([NH3+])CCC1 ZINC000662604079 412236720 /nfs/dbraw/zinc/23/67/20/412236720.db2.gz AQLAGRGFFFWLAS-UHFFFAOYSA-N 2 0 213.325 0.454 20 0 BCADRP C[C@H]1CC[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000665291071 412237110 /nfs/dbraw/zinc/23/71/10/412237110.db2.gz TVDDDNWDSQDBID-DTWKUNHWSA-N 2 0 236.319 0.919 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCC[NH2+]C1 ZINC000662605370 412237311 /nfs/dbraw/zinc/23/73/11/412237311.db2.gz NKAONPCJCVQMKU-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000662605465 412237402 /nfs/dbraw/zinc/23/74/02/412237402.db2.gz OPJBODNJZJJGHE-QMMMGPOBSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@@H](COC)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292080 412237817 /nfs/dbraw/zinc/23/78/17/412237817.db2.gz SDESJQJBAQLTQV-QMMMGPOBSA-N 2 0 240.307 0.156 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N(C)CC(C)(C)[NH3+] ZINC000662604997 412237965 /nfs/dbraw/zinc/23/79/65/412237965.db2.gz IMYXACFJSFLRSO-QMMMGPOBSA-N 2 0 201.314 0.165 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)[C@H]1C ZINC000665293041 412238063 /nfs/dbraw/zinc/23/80/63/412238063.db2.gz PSAFGCDKHNKUDJ-KHQFGBGNSA-N 2 0 236.319 0.775 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N(C)CC(C)(C)[NH3+] ZINC000662611638 412240352 /nfs/dbraw/zinc/24/03/52/412240352.db2.gz BZBRKJLFDMUAJR-SECBINFHSA-N 2 0 215.341 0.556 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1CCCC[N@@H+]1C ZINC000662611295 412240876 /nfs/dbraw/zinc/24/08/76/412240876.db2.gz XTGZKXNBBDOWMV-SNVBAGLBSA-N 2 0 227.352 0.666 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C1CC[NH2+]CC1 ZINC000662612385 412241839 /nfs/dbraw/zinc/24/18/39/412241839.db2.gz PCNIKMMQODAZAZ-UHFFFAOYSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)[C@@H]1CCOC1 ZINC000665295621 412242552 /nfs/dbraw/zinc/24/25/52/412242552.db2.gz GRKPHDPTRUQROY-AXFHLTTASA-N 2 0 200.326 0.999 20 0 BCADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])S(C)(=O)=O ZINC000665299742 412245864 /nfs/dbraw/zinc/24/58/64/412245864.db2.gz RXEVCQHPHKHSIB-OUAUKWLOSA-N 2 0 248.392 0.527 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000665299291 412248174 /nfs/dbraw/zinc/24/81/74/412248174.db2.gz JYEGELURPUBUJA-CIUDSAMLSA-N 2 0 222.354 0.135 20 0 BCADRP C[C@H](CCNC(=O)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000662632377 412249937 /nfs/dbraw/zinc/24/99/37/412249937.db2.gz CRXKEBWXJKKSHJ-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC000662633984 412251086 /nfs/dbraw/zinc/25/10/86/412251086.db2.gz PGQOKMJVMWVEQP-QWRGUYRKSA-N 2 0 245.367 0.195 20 0 BCADRP C[C@@H](CCNC(=O)[C@]1(C)CC[NH2+]C1)[NH+](C)C ZINC000662635017 412251101 /nfs/dbraw/zinc/25/11/01/412251101.db2.gz TYBIQCWSDRMXDV-CMPLNLGQSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[C@H](C)[NH+](C)C ZINC000662635040 412251449 /nfs/dbraw/zinc/25/14/49/412251449.db2.gz UHUMRORSNKACKX-TUAOUCFPSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC000662636005 412252427 /nfs/dbraw/zinc/25/24/27/412252427.db2.gz XHGCQDMDMPJKRV-DTWKUNHWSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@@H](CCNC(=O)CC[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000662636062 412252488 /nfs/dbraw/zinc/25/24/88/412252488.db2.gz XRIBWPFJFDWJQA-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662636002 412252703 /nfs/dbraw/zinc/25/27/03/412252703.db2.gz XHGCQDMDMPJKRV-BDAKNGLRSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@@H](CC(=O)N[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000662640645 412252761 /nfs/dbraw/zinc/25/27/61/412252761.db2.gz VXZQZZVEQCONOK-SRVKXCTJSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000662640695 412253985 /nfs/dbraw/zinc/25/39/85/412253985.db2.gz ZMWPRGSHIKGNAY-JBLDHEPKSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000662815385 412309036 /nfs/dbraw/zinc/30/90/36/412309036.db2.gz DJGMZISLUFFUKI-VXGBXAGGSA-N 2 0 247.342 0.901 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)[C@H]2C[C@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000662817561 412309533 /nfs/dbraw/zinc/30/95/33/412309533.db2.gz JILMILMGRUMXRS-IYKVGLELSA-N 2 0 239.363 0.556 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000662818585 412310011 /nfs/dbraw/zinc/31/00/11/412310011.db2.gz AYSGANOBQROQIB-ZYUZMQFOSA-N 2 0 211.309 0.110 20 0 BCADRP [NH3+]C1(CC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000662821843 412310625 /nfs/dbraw/zinc/31/06/25/412310625.db2.gz HODCDKORNKDSMP-UHFFFAOYSA-N 2 0 211.309 0.126 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662823877 412311921 /nfs/dbraw/zinc/31/19/21/412311921.db2.gz YFGCIQCUUWLWHM-HAQNSBGRSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000662826801 412312693 /nfs/dbraw/zinc/31/26/93/412312693.db2.gz MHTBHPLBBXDMFZ-AKJDGMEZSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000662828998 412314257 /nfs/dbraw/zinc/31/42/57/412314257.db2.gz KEVNUMIGZBOTCC-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000662834895 412315286 /nfs/dbraw/zinc/31/52/86/412315286.db2.gz XUQBSERSXAXWFV-GUBZILKMSA-N 2 0 213.325 0.323 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000662834883 412315509 /nfs/dbraw/zinc/31/55/09/412315509.db2.gz XJXVNTKLGCCLCQ-AXFHLTTASA-N 2 0 243.351 0.077 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CC2([NH3+])CC2)C1 ZINC000662834215 412315729 /nfs/dbraw/zinc/31/57/29/412315729.db2.gz SXNTWALQDIICSG-AOOOYVTPSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662837773 412317081 /nfs/dbraw/zinc/31/70/81/412317081.db2.gz KZICEJBNLOMQAC-AXFHLTTASA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)c1cc(N[C@H](C)C[NH3+])nc(N(C)C)[nH+]1 ZINC000420242717 412320855 /nfs/dbraw/zinc/32/08/55/412320855.db2.gz PJZREFTVFIZBJM-SECBINFHSA-N 2 0 237.351 1.425 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000662851893 412323269 /nfs/dbraw/zinc/32/32/69/412323269.db2.gz FERQTJIRJXQWOS-AXFHLTTASA-N 2 0 239.363 0.713 20 0 BCADRP CC[C@@]1(C(=O)NCC[C@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000662858642 412326512 /nfs/dbraw/zinc/32/65/12/412326512.db2.gz HCJPWCNNNWRIFK-AAEUAGOBSA-N 2 0 241.379 0.975 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000662861052 412328030 /nfs/dbraw/zinc/32/80/30/412328030.db2.gz VIVQDQFKJQIKRK-YFKTTZPYSA-N 2 0 237.347 0.385 20 0 BCADRP C[C@@H](CCNC(=O)[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000662860379 412328316 /nfs/dbraw/zinc/32/83/16/412328316.db2.gz RIZXYWCUSAYDCJ-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+]CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000662864684 412329812 /nfs/dbraw/zinc/32/98/12/412329812.db2.gz FFPZHUZNYBMFDT-VXGBXAGGSA-N 2 0 233.315 0.207 20 0 BCADRP [NH3+]C1(CC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000662864582 412330061 /nfs/dbraw/zinc/33/00/61/412330061.db2.gz TZQMVYIZJVHSEE-UHFFFAOYSA-N 2 0 211.309 0.256 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000336618696 171682537 /nfs/dbraw/zinc/68/25/37/171682537.db2.gz MGJBCVBZBBFQGL-GHMZBOCLSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC3CC2(C[NH3+])C3)CC[N@@H+]1C ZINC000662875207 412331653 /nfs/dbraw/zinc/33/16/53/412331653.db2.gz GSPSLEYSNUEUTR-YLXHPXFOSA-N 2 0 237.347 0.276 20 0 BCADRP CC(C)[C@H](C(=O)N1CC2CC1(C[NH3+])C2)[NH+](C)C ZINC000662874896 412332185 /nfs/dbraw/zinc/33/21/85/412332185.db2.gz BTDKDPQVWKYHNL-QWKFWESOSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@@]1(NC(=O)c2ccc(C[NH3+])cc2)CC[NH2+]C1 ZINC000663004769 412367560 /nfs/dbraw/zinc/36/75/60/412367560.db2.gz RTGYXGRPVNWPLU-CYBMUJFWSA-N 2 0 233.315 0.627 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)C[NH2+]C ZINC000662953951 412352509 /nfs/dbraw/zinc/35/25/09/412352509.db2.gz RRGVELSHVZRWFY-WCBMZHEXSA-N 2 0 201.314 0.228 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C1([NH3+])CCCCC1 ZINC000662954754 412353407 /nfs/dbraw/zinc/35/34/07/412353407.db2.gz YVOODMUDEJSYIA-VIFPVBQESA-N 2 0 213.325 0.372 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000662953161 412353432 /nfs/dbraw/zinc/35/34/32/412353432.db2.gz KKYCQFVXUFSLCR-JTQLQIEISA-N 2 0 247.342 0.207 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000662965159 412357793 /nfs/dbraw/zinc/35/77/93/412357793.db2.gz MFRNWKIDKWPWHF-ZMLRMANQSA-N 2 0 239.363 0.346 20 0 BCADRP CC[C@H](C(=O)N[C@H](C)C[NH2+]C)[NH+](CC)CC ZINC000662965490 412357914 /nfs/dbraw/zinc/35/79/14/412357914.db2.gz LSKLDLRORUXBFA-GHMZBOCLSA-N 2 0 229.368 0.831 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000662968225 412359370 /nfs/dbraw/zinc/35/93/70/412359370.db2.gz SIZFGDVEORXWIV-GUBZILKMSA-N 2 0 215.341 0.330 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000662968761 412359428 /nfs/dbraw/zinc/35/94/28/412359428.db2.gz WTOOEKUPKSRUBI-OPRDCNLKSA-N 2 0 213.325 0.051 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000662968227 412359584 /nfs/dbraw/zinc/35/95/84/412359584.db2.gz SIZFGDVEORXWIV-LPEHRKFASA-N 2 0 215.341 0.330 20 0 BCADRP [NH3+]CCC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662973042 412361876 /nfs/dbraw/zinc/36/18/76/412361876.db2.gz UUKQDNJNHUYFLA-UHFFFAOYSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662744602 412289848 /nfs/dbraw/zinc/28/98/48/412289848.db2.gz AEDPEUBHUJAANJ-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH2+]C)C[C@H]1C ZINC000662744216 412290149 /nfs/dbraw/zinc/29/01/49/412290149.db2.gz YGJBIALHCOVBKA-GRYCIOLGSA-N 2 0 241.379 0.926 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000662759318 412293035 /nfs/dbraw/zinc/29/30/35/412293035.db2.gz ZNKNUUVFWAPJAO-QWRGUYRKSA-N 2 0 225.336 0.337 20 0 BCADRP O=C(NCC1C[NH2+]C1)c1cccc2c1CC[NH2+]C2 ZINC000662763016 412293722 /nfs/dbraw/zinc/29/37/22/412293722.db2.gz HZVOTORFBIHYNP-UHFFFAOYSA-N 2 0 245.326 0.282 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000662765577 412294561 /nfs/dbraw/zinc/29/45/61/412294561.db2.gz ARHKZTPKUYLEGM-MGCOHNPYSA-N 2 0 219.288 0.821 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[N@H+](C)CC1 ZINC000662767913 412295750 /nfs/dbraw/zinc/29/57/50/412295750.db2.gz YIHGXXHJZZFUQA-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000662771537 412296642 /nfs/dbraw/zinc/29/66/42/412296642.db2.gz ZRVZKMZRZJLTJP-BDAKNGLRSA-N 2 0 211.309 0.254 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000662774656 412297923 /nfs/dbraw/zinc/29/79/23/412297923.db2.gz SSDRUIWOXXAHKE-GWCFXTLKSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000662776695 412298852 /nfs/dbraw/zinc/29/88/52/412298852.db2.gz YPTOPQBHNCXHGS-BBBLOLIVSA-N 2 0 213.325 0.193 20 0 BCADRP CC1(NC(=O)CC2([NH3+])CC2)CC[NH2+]CC1 ZINC000662776307 412299221 /nfs/dbraw/zinc/29/92/21/412299221.db2.gz WFTJWGQTXJRBBS-UHFFFAOYSA-N 2 0 211.309 0.126 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC1(C)CC[NH2+]CC1 ZINC000662775826 412299321 /nfs/dbraw/zinc/29/93/21/412299321.db2.gz SQTDPMULINXCFW-SECBINFHSA-N 2 0 213.325 0.243 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC(C)(C)CCC[NH3+] ZINC000662779291 412299635 /nfs/dbraw/zinc/29/96/35/412299635.db2.gz MHDMMKZKMUQCBQ-VIFPVBQESA-N 2 0 215.341 0.618 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)CC1([NH3+])CC1 ZINC000662780296 412299948 /nfs/dbraw/zinc/29/99/48/412299948.db2.gz OXZKCROYYBUZGS-VIFPVBQESA-N 2 0 213.325 0.502 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CC1([NH3+])CC1 ZINC000662780948 412300181 /nfs/dbraw/zinc/30/01/81/412300181.db2.gz SVJBUZZFTMZDSL-FXPVBKGRSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CC1([NH3+])CC1 ZINC000662780955 412300201 /nfs/dbraw/zinc/30/02/01/412300201.db2.gz SVJBUZZFTMZDSL-WCABBAIRSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662783472 412300582 /nfs/dbraw/zinc/30/05/82/412300582.db2.gz PISFBPSAJCPELI-NXEZZACHSA-N 2 0 247.342 0.798 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)CC1([NH3+])CC1 ZINC000662782982 412300913 /nfs/dbraw/zinc/30/09/13/412300913.db2.gz CHLKXYJKPUPYKE-SECBINFHSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662784684 412301382 /nfs/dbraw/zinc/30/13/82/412301382.db2.gz VRJGEFNXOJOPPN-BDAKNGLRSA-N 2 0 225.336 0.513 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662783843 412301575 /nfs/dbraw/zinc/30/15/75/412301575.db2.gz RSYIAPLWQUOQMY-VIFPVBQESA-N 2 0 225.336 0.515 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662785951 412301935 /nfs/dbraw/zinc/30/19/35/412301935.db2.gz XJQAHEVSHDFHSD-JTQLQIEISA-N 2 0 239.363 0.905 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662787684 412302473 /nfs/dbraw/zinc/30/24/73/412302473.db2.gz AYQSIVIZTGHBOL-DCAQKATOSA-N 2 0 225.336 0.276 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000663011773 412369563 /nfs/dbraw/zinc/36/95/63/412369563.db2.gz RQQSZKMOQBKWPN-LBPRGKRZSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@H](C(=O)N[C@]1(C)CC[NH2+]C1)[NH+](CC)CC ZINC000663011729 412369647 /nfs/dbraw/zinc/36/96/47/412369647.db2.gz QTBKKOUMFFIMGP-DGCLKSJQSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@H](C(=O)N[C@@]1(C)CC[NH2+]C1)[NH+](CC)CC ZINC000663011731 412370321 /nfs/dbraw/zinc/37/03/21/412370321.db2.gz QTBKKOUMFFIMGP-YPMHNXCESA-N 2 0 241.379 0.975 20 0 BCADRP C[C@]1(NC(=O)c2ccc3c[nH+]cn3c2)CC[NH2+]C1 ZINC000663013746 412371262 /nfs/dbraw/zinc/37/12/62/412371262.db2.gz PMMHOHCHLPSWHF-ZDUSSCGKSA-N 2 0 244.298 0.816 20 0 BCADRP CCn1cc(CNC[C@]2(O)CC[N@H+](C)C2)cn1 ZINC000358171571 172172880 /nfs/dbraw/zinc/17/28/80/172172880.db2.gz UCNPVXWXNHUZIF-GFCCVEGCSA-N 2 0 238.335 0.059 20 0 BCADRP CN(C(=O)C[C@H]([NH3+])c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000178806819 172314211 /nfs/dbraw/zinc/31/42/11/172314211.db2.gz RIHHHSIITWBOJV-OLZOCXBDSA-N 2 0 247.342 0.897 20 0 BCADRP CN(C(=O)N[C@@H]1CCCC[NH2+]C1)C1CC([NH3+])C1 ZINC000333664191 172321230 /nfs/dbraw/zinc/32/12/30/172321230.db2.gz MAPCWPDRJBNMSC-HSOILSAZSA-N 2 0 240.351 0.260 20 0 BCADRP CN(C(=O)N[C@H]1CCCC[NH2+]C1)C1CC([NH3+])C1 ZINC000333664192 172323248 /nfs/dbraw/zinc/32/32/48/172323248.db2.gz MAPCWPDRJBNMSC-YVNMAJEFSA-N 2 0 240.351 0.260 20 0 BCADRP CN(C(=O)[C@@H](C[NH3+])c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000179061910 172324866 /nfs/dbraw/zinc/32/48/66/172324866.db2.gz YYMRFGJTXNJMKO-OLZOCXBDSA-N 2 0 247.342 0.549 20 0 BCADRP CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@H](C[NH3+])C1CC1 ZINC000332186704 172327204 /nfs/dbraw/zinc/32/72/04/172327204.db2.gz YCCDRXIKIRYBMQ-GRYCIOLGSA-N 2 0 239.363 0.700 20 0 BCADRP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)C1(C[NH3+])CCC1 ZINC000335662235 172330059 /nfs/dbraw/zinc/33/00/59/172330059.db2.gz HMCLPEMSDQLUII-DTORHVGOSA-N 2 0 211.309 0.064 20 0 BCADRP CN(C(=O)[C@H](C[NH3+])c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000179061949 172331969 /nfs/dbraw/zinc/33/19/69/172331969.db2.gz YYMRFGJTXNJMKO-QWHCGFSZSA-N 2 0 247.342 0.549 20 0 BCADRP CN(C(=O)[C@H]1CCCCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000364465191 172332889 /nfs/dbraw/zinc/33/28/89/172332889.db2.gz JBWIDWGJLYDHCR-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP CN(C)C(=[NH2+])NCc1ccc(-n2ccnc2)nc1 ZINC000361816850 172353114 /nfs/dbraw/zinc/35/31/14/172353114.db2.gz UNEFLDPAZJHFEL-UHFFFAOYSA-N 2 0 244.302 0.853 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228545844 172359006 /nfs/dbraw/zinc/35/90/06/172359006.db2.gz DHXIAFBQSVAVHK-QJPTWQEYSA-N 2 0 239.363 0.524 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130913445 172359610 /nfs/dbraw/zinc/35/96/10/172359610.db2.gz DHXIAFBQSVAVHK-TUAOUCFPSA-N 2 0 239.363 0.524 20 0 BCADRP CN(C)C(=O)[C@@H]1CCCN1C[C@H]1CCC[NH2+]C1 ZINC000250335613 172383524 /nfs/dbraw/zinc/38/35/24/172383524.db2.gz IKSSAOMYAHZBSI-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364556753 172437314 /nfs/dbraw/zinc/43/73/14/172437314.db2.gz AGTJNOCBSFGVIJ-CMPLNLGQSA-N 2 0 225.336 0.054 20 0 BCADRP C[NH+](C)CCc1ccc(CNC(N)=[NH2+])cc1 ZINC000341499062 172478682 /nfs/dbraw/zinc/47/86/82/172478682.db2.gz VCWZTXOTBXCKJR-UHFFFAOYSA-N 2 0 220.320 0.774 20 0 BCADRP C[N@@H+]1CCCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000044762307 173011072 /nfs/dbraw/zinc/01/10/72/173011072.db2.gz OWJTWIPBFZNPOK-UHFFFAOYSA-N 2 0 239.363 0.670 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000040673646 173020707 /nfs/dbraw/zinc/02/07/07/173020707.db2.gz MOPWEKGNEWQRKR-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000336321133 173023677 /nfs/dbraw/zinc/02/36/77/173023677.db2.gz HTVWZWABCFCEMV-VXGBXAGGSA-N 2 0 237.347 0.387 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000309221327 173029863 /nfs/dbraw/zinc/02/98/63/173029863.db2.gz YEAFOXKKCHNACM-SFYZADRCSA-N 2 0 235.278 0.179 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000226393984 173030342 /nfs/dbraw/zinc/03/03/42/173030342.db2.gz LULKURQZZRDSQR-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000226394821 173030586 /nfs/dbraw/zinc/03/05/86/173030586.db2.gz RVQQMYVYWKRONE-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000226394570 173031964 /nfs/dbraw/zinc/03/19/64/173031964.db2.gz GRPKGLUGWSUJST-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CCC[NH3+] ZINC000237085212 173038445 /nfs/dbraw/zinc/03/84/45/173038445.db2.gz DOWMEMDHAAPKGB-NSHDSACASA-N 2 0 227.352 0.526 20 0 BCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000336321130 173048998 /nfs/dbraw/zinc/04/89/98/173048998.db2.gz HTVWZWABCFCEMV-NEPJUHHUSA-N 2 0 237.347 0.387 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](CO)C1 ZINC000305621774 173053030 /nfs/dbraw/zinc/05/30/30/173053030.db2.gz IGSPECDIAYJOTE-NEPJUHHUSA-N 2 0 212.337 0.785 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000226394285 173053756 /nfs/dbraw/zinc/05/37/56/173053756.db2.gz DUWILBOACWSFKA-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCO)CC[C@H]21 ZINC000227342764 173058265 /nfs/dbraw/zinc/05/82/65/173058265.db2.gz QBVUDGSVTGYKIO-NWDGAFQWSA-N 2 0 212.337 0.785 20 0 BCADRP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CC[NH3+] ZINC000371262271 173058904 /nfs/dbraw/zinc/05/89/04/173058904.db2.gz JVWREWLLIIGHIJ-QWRGUYRKSA-N 2 0 225.336 0.420 20 0 BCADRP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C[NH3+] ZINC000371261925 173059250 /nfs/dbraw/zinc/05/92/50/173059250.db2.gz FRVFTOQIYKTIDF-UWVGGRQHSA-N 2 0 211.309 0.030 20 0 BCADRP C[NH+]1CCN(CCC[NH2+]Cc2cccnc2)CC1 ZINC000020128354 173078890 /nfs/dbraw/zinc/07/88/90/173078890.db2.gz VREBMWAZWJXZBM-UHFFFAOYSA-N 2 0 248.374 0.809 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000250555750 173115206 /nfs/dbraw/zinc/11/52/06/173115206.db2.gz BCIHCFKUGXWGME-RYUDHWBXSA-N 2 0 239.363 0.444 20 0 BCADRP CN1CC[C@@H]([N@H+](C)CCCn2ccnc2)C1=O ZINC000124312333 173117845 /nfs/dbraw/zinc/11/78/45/173117845.db2.gz VTBQLXPOXJNMPA-LLVKDONJSA-N 2 0 236.319 0.436 20 0 BCADRP CN1CC[C@@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)C1=O ZINC000310516936 173119719 /nfs/dbraw/zinc/11/97/19/173119719.db2.gz MPOLCCKJMGFVHJ-LLVKDONJSA-N 2 0 237.347 0.293 20 0 BCADRP CNC(=O)CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000358020745 173241994 /nfs/dbraw/zinc/24/19/94/173241994.db2.gz GKBYVCNXYMEWBU-QJPTWQEYSA-N 2 0 241.379 0.831 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000308845653 173281256 /nfs/dbraw/zinc/28/12/56/173281256.db2.gz AAPGHDNRUNMAEQ-VHSXEESVSA-N 2 0 215.341 0.441 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000322662369 173283176 /nfs/dbraw/zinc/28/31/76/173283176.db2.gz AQBZDNLPKOETKU-SRVKXCTJSA-N 2 0 239.363 0.727 20 0 BCADRP CNC(=O)[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000043497678 173297449 /nfs/dbraw/zinc/29/74/49/173297449.db2.gz HYYHZROWPBATTJ-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP CNC(=O)[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000051919239 173298648 /nfs/dbraw/zinc/29/86/48/173298648.db2.gz RIORFFPCVVBEKT-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CNC(=O)[C@H](C)C[N@H+](C)CC(C)(C)[NH3+] ZINC000309001513 173301527 /nfs/dbraw/zinc/30/15/27/173301527.db2.gz OFHIJOZKSUZNKK-MRVPVSSYSA-N 2 0 201.314 0.038 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000366626522 173326292 /nfs/dbraw/zinc/32/62/92/173326292.db2.gz BQCGJVRNGCUVOC-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000371263364 173327005 /nfs/dbraw/zinc/32/70/05/173327005.db2.gz XWAGAMMZCPNGCH-WDEREUQCSA-N 2 0 225.336 0.291 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000366626521 173327100 /nfs/dbraw/zinc/32/71/00/173327100.db2.gz BQCGJVRNGCUVOC-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000037041713 173327408 /nfs/dbraw/zinc/32/74/08/173327408.db2.gz FEQMSUWVTBZRSO-UHFFFAOYSA-N 2 0 213.325 0.195 20 0 BCADRP C[NH2+]CC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000237206831 173328118 /nfs/dbraw/zinc/32/81/18/173328118.db2.gz BKFVCLOBFPRCME-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000237230318 173329656 /nfs/dbraw/zinc/32/96/56/173329656.db2.gz FVIRKSPXHGTWHP-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]CC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000237235673 173330076 /nfs/dbraw/zinc/33/00/76/173330076.db2.gz RJZZNEZGHVSIBX-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]CC(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000040831283 173330571 /nfs/dbraw/zinc/33/05/71/173330571.db2.gz JYGCAOFILRGXRX-JTQLQIEISA-N 2 0 215.341 0.298 20 0 BCADRP C[NH2+]CC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000237262335 173331840 /nfs/dbraw/zinc/33/18/40/173331840.db2.gz QRTMGVRYNABFQP-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP C[NH2+]CC1CC[NH+](CC(=O)NCC(C)C)CC1 ZINC000063166125 173338544 /nfs/dbraw/zinc/33/85/44/173338544.db2.gz TXWZGXKYHKLMKC-UHFFFAOYSA-N 2 0 241.379 0.690 20 0 BCADRP C[NH2+]CC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000051756262 173338579 /nfs/dbraw/zinc/33/85/79/173338579.db2.gz PYPGCFQMWRWWEJ-GFCCVEGCSA-N 2 0 212.337 0.954 20 0 BCADRP C[NH2+]CCC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000294945932 173339625 /nfs/dbraw/zinc/33/96/25/173339625.db2.gz HEOMCVSCNQZQOP-UHFFFAOYSA-N 2 0 249.358 0.974 20 0 BCADRP C[NH2+]CCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000043605966 173339765 /nfs/dbraw/zinc/33/97/65/173339765.db2.gz UODADIRRMBDPNS-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH2+]CCC(=O)NCC[N@H+](C)C(C)C ZINC000054133446 173339818 /nfs/dbraw/zinc/33/98/18/173339818.db2.gz NMHINUFYHSYBCB-UHFFFAOYSA-N 2 0 201.314 0.052 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000062076398 173340749 /nfs/dbraw/zinc/34/07/49/173340749.db2.gz NUYQJRZHSNKUJD-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000043605930 173341065 /nfs/dbraw/zinc/34/10/65/173341065.db2.gz QTRORTLDJYAYQL-LLVKDONJSA-N 2 0 229.368 0.688 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000043603849 173341747 /nfs/dbraw/zinc/34/17/47/173341747.db2.gz DJAVFUJTDGOVTR-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]CCC(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000285705962 173342194 /nfs/dbraw/zinc/34/21/94/173342194.db2.gz CNUASKLJPQKCRJ-UHFFFAOYSA-N 2 0 245.286 0.815 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000368560734 173343587 /nfs/dbraw/zinc/34/35/87/173343587.db2.gz HHKSHBAIGFFZTO-CYBMUJFWSA-N 2 0 239.363 0.588 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000037812760 173344045 /nfs/dbraw/zinc/34/40/45/173344045.db2.gz RUIWNXKISCWRCF-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000340156190 173344078 /nfs/dbraw/zinc/34/40/78/173344078.db2.gz BENIZRVRTMTLDE-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037611138 173344259 /nfs/dbraw/zinc/34/42/59/173344259.db2.gz BWOWLWYCQMICCU-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000123936098 173346226 /nfs/dbraw/zinc/34/62/26/173346226.db2.gz MXYQMNUURSYSML-GFCCVEGCSA-N 2 0 235.331 0.754 20 0 BCADRP C[NH2+]CCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000336741008 173346752 /nfs/dbraw/zinc/34/67/52/173346752.db2.gz MVIRLMNVGFWWBC-TUAOUCFPSA-N 3 0 211.353 0.655 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000083362630 173347861 /nfs/dbraw/zinc/34/78/61/173347861.db2.gz BMPGNSLGHPWLAF-LBPRGKRZSA-N 2 0 235.331 0.282 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000083362635 173348003 /nfs/dbraw/zinc/34/80/03/173348003.db2.gz PDRXYTSHWDOFBU-LBPRGKRZSA-N 2 0 235.331 0.721 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000131620331 173348136 /nfs/dbraw/zinc/34/81/36/173348136.db2.gz HXIWFQZGAAQIGD-SRVKXCTJSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+]CCNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000237075116 173355059 /nfs/dbraw/zinc/35/50/59/173355059.db2.gz JTFUEIARPKWILN-ZYHUDNBSSA-N 2 0 235.331 0.658 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000246572229 173362522 /nfs/dbraw/zinc/36/25/22/173362522.db2.gz BUNMXHDBHUBUGT-BBBLOLIVSA-N 2 0 213.325 0.051 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000237235720 173363071 /nfs/dbraw/zinc/36/30/71/173363071.db2.gz KZXCECBYMQQHNO-KOLCDFICSA-N 2 0 215.341 0.332 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000237207284 173363569 /nfs/dbraw/zinc/36/35/69/173363569.db2.gz OPTBXZBYTIPYGQ-MWLCHTKSSA-N 2 0 227.352 0.298 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(CC(=O)NC(C)C)C1 ZINC000040601146 173367783 /nfs/dbraw/zinc/36/77/83/173367783.db2.gz ADXRZJWIJKPQKB-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000333840203 173369058 /nfs/dbraw/zinc/36/90/58/173369058.db2.gz OCVANGSFZMAWPT-QWRGUYRKSA-N 2 0 240.351 0.132 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CCOC(C)C)C1 ZINC000070800214 173370881 /nfs/dbraw/zinc/37/08/81/173370881.db2.gz HTQVQWRDBGEVLX-NSHDSACASA-N 2 0 200.326 0.953 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000122060118 173373966 /nfs/dbraw/zinc/37/39/66/173373966.db2.gz JUKUNVNQYATPSX-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000364185405 173374158 /nfs/dbraw/zinc/37/41/58/173374158.db2.gz GJSKZDUZOFTWQM-DMDPSCGWSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000237059430 173374744 /nfs/dbraw/zinc/37/47/44/173374744.db2.gz KZXCECBYMQQHNO-GXSJLCMTSA-N 2 0 215.341 0.332 20 0 BCADRP C[NH2+]C[C@H]1CCCN(CCCC(=O)OC)C1 ZINC000040598540 173378426 /nfs/dbraw/zinc/37/84/26/173378426.db2.gz FTEXMIDWAFNNAX-LLVKDONJSA-N 2 0 228.336 0.871 20 0 BCADRP C[NH2+]C[C@H]1CCCN1CCn1cccn1 ZINC000042390607 173380097 /nfs/dbraw/zinc/38/00/97/173380097.db2.gz GKSNUMVZDGILQB-LLVKDONJSA-N 2 0 208.309 0.567 20 0 BCADRP C[NH2+]C[C@H]1CCN(CC(=O)NCC2CC2)C1 ZINC000070799646 173380977 /nfs/dbraw/zinc/38/09/77/173380977.db2.gz VXJMZYIDQTZXKM-LLVKDONJSA-N 2 0 225.336 0.054 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CCOC(C)C)C1 ZINC000070800212 173381612 /nfs/dbraw/zinc/38/16/12/173381612.db2.gz HTQVQWRDBGEVLX-LLVKDONJSA-N 2 0 200.326 0.953 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC1CC[NH+](C)CC1 ZINC000054076737 173412257 /nfs/dbraw/zinc/41/22/57/173412257.db2.gz QZRZINYWWWYNHW-VIFPVBQESA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000374998100 173446481 /nfs/dbraw/zinc/44/64/81/173446481.db2.gz ZYOLVZVSHKYESV-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP COCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336713404 174193544 /nfs/dbraw/zinc/19/35/44/174193544.db2.gz VMGVLLFAKOFIPM-RYUDHWBXSA-N 2 0 212.337 0.954 20 0 BCADRP COCCC[N@H+](CCO)C[C@H]1CCC[NH2+]C1 ZINC000339430636 174223293 /nfs/dbraw/zinc/22/32/93/174223293.db2.gz HNDPARFDKLYRFB-LBPRGKRZSA-N 2 0 230.352 0.317 20 0 BCADRP COCCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000077341710 174233191 /nfs/dbraw/zinc/23/31/91/174233191.db2.gz ZIPSPVVJHKYLFG-LBPRGKRZSA-N 2 0 227.352 0.002 20 0 BCADRP COCC[N@H+](CCN1CC[NH2+]CC1)CC(C)C ZINC000042370821 174291899 /nfs/dbraw/zinc/29/18/99/174291899.db2.gz XTYAQXUVQLRBQW-UHFFFAOYSA-N 2 0 243.395 0.496 20 0 BCADRP COCC[NH+](CCOC)Cc1ccnc(N)c1 ZINC000052730003 174295995 /nfs/dbraw/zinc/29/59/95/174295995.db2.gz TYIIXNUVERQYHR-UHFFFAOYSA-N 2 0 239.319 0.759 20 0 BCADRP COCC[NH+]1CCC(NCC[NH+](C)C)CC1 ZINC000336776193 174305491 /nfs/dbraw/zinc/30/54/91/174305491.db2.gz DZXRJXHITZEYOW-UHFFFAOYSA-N 2 0 229.368 0.248 20 0 BCADRP COCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371292669 174312212 /nfs/dbraw/zinc/31/22/12/174312212.db2.gz CUSVERRKUJRFTO-FRRDWIJNSA-N 2 0 242.363 0.816 20 0 BCADRP COCCN1CC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000348149996 174316223 /nfs/dbraw/zinc/31/62/23/174316223.db2.gz KIEHZEYRRPDNDP-GUBZILKMSA-N 2 0 234.290 0.950 20 0 BCADRP COCCN1CC[C@H]([NH2+][C@H](C)C[C@H](C)O)C1 ZINC000336779157 174316231 /nfs/dbraw/zinc/31/62/31/174316231.db2.gz NICYHHGXKCINQZ-WOPDTQHZSA-N 2 0 230.352 0.456 20 0 BCADRP COCC[NH2+]CCNC(=O)C1([NH3+])CCCCC1 ZINC000237266422 174332888 /nfs/dbraw/zinc/33/28/88/174332888.db2.gz VIKSETIHNVXNDS-UHFFFAOYSA-N 2 0 243.351 0.000 20 0 BCADRP COCCOCC[N@H+](C)C1CC[NH2+]CC1 ZINC000070028328 174352186 /nfs/dbraw/zinc/35/21/86/174352186.db2.gz MJYFVUPOBQAOKQ-UHFFFAOYSA-N 2 0 216.325 0.333 20 0 BCADRP COCCOCCN1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000377112483 174354398 /nfs/dbraw/zinc/35/43/98/174354398.db2.gz GACRGAINNPZJEG-STQMWFEESA-N 2 0 242.363 0.675 20 0 BCADRP COCC[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309944378 174382445 /nfs/dbraw/zinc/38/24/45/174382445.db2.gz CTLBSQXFBOGCEO-LLVKDONJSA-N 2 0 230.352 0.458 20 0 BCADRP C[C@H](CO)CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000228357320 487629175 /nfs/dbraw/zinc/62/91/75/487629175.db2.gz QTPNHHDOFGVPRH-QWHCGFSZSA-N 2 0 244.379 0.441 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000383496483 487629544 /nfs/dbraw/zinc/62/95/44/487629544.db2.gz DGCZBFUVMBIEGR-JHJVBQTASA-N 2 0 244.379 0.702 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000383496482 487629850 /nfs/dbraw/zinc/62/98/50/487629850.db2.gz DGCZBFUVMBIEGR-FRRDWIJNSA-N 2 0 244.379 0.702 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)[NH3+] ZINC000669585468 487631279 /nfs/dbraw/zinc/63/12/79/487631279.db2.gz PWQUYHQNVNZRSF-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000367649314 175710572 /nfs/dbraw/zinc/71/05/72/175710572.db2.gz RQSJMCCWSIOTRS-JBLDHEPKSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCCCC[NH+](C)C ZINC000041679620 175802517 /nfs/dbraw/zinc/80/25/17/175802517.db2.gz XWHRIUISUHLOLG-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000070316061 175803942 /nfs/dbraw/zinc/80/39/42/175803942.db2.gz YFWHQBORIHQALT-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP O[C@@H](C[NH2+]C[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000037859676 487632463 /nfs/dbraw/zinc/63/24/63/487632463.db2.gz KTPGNRHVZRDSAV-RYUDHWBXSA-N 2 0 228.336 0.212 20 0 BCADRP C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C[NH3+])C2)C1 ZINC000224218812 176092303 /nfs/dbraw/zinc/09/23/03/176092303.db2.gz DZFVHZCEVBVYDJ-NEPJUHHUSA-N 2 0 239.363 0.526 20 0 BCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(N)=[NH2+])C1 ZINC000303253938 176096960 /nfs/dbraw/zinc/09/69/60/176096960.db2.gz DMLPRDIUXLORBG-SECBINFHSA-N 2 0 212.341 0.980 20 0 BCADRP C[C@@H]1CCC[C@@](CNC(=O)C[NH3+])([NH+](C)C)C1 ZINC000040670494 176133636 /nfs/dbraw/zinc/13/36/36/176133636.db2.gz NNFNRKIXHDZCIX-ZYHUDNBSSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1CCC[C@](CNC(=O)C[NH3+])([NH+](C)C)C1 ZINC000040670499 176151941 /nfs/dbraw/zinc/15/19/41/176151941.db2.gz NNFNRKIXHDZCIX-PWSUYJOCSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC000336343913 176166471 /nfs/dbraw/zinc/16/64/71/176166471.db2.gz CWGFRCYRYGTVBG-NEPJUHHUSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCC(C)(C)[NH3+] ZINC000335285590 176166751 /nfs/dbraw/zinc/16/67/51/176166751.db2.gz MOAWKLNDWUCICO-SNVBAGLBSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@@H]1CO ZINC000227216391 176168980 /nfs/dbraw/zinc/16/89/80/176168980.db2.gz SKUVSBUDJUYXEC-ZYHUDNBSSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000373520158 176185444 /nfs/dbraw/zinc/18/54/44/176185444.db2.gz FTFBEWRJWVUOAN-WOPDTQHZSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000357313984 176187579 /nfs/dbraw/zinc/18/75/79/176187579.db2.gz KTSHIEPQPYGSQN-BREBYQMCSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000126064332 176187651 /nfs/dbraw/zinc/18/76/51/176187651.db2.gz YSGXBMQDMIIACC-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1CC[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000129486617 176232990 /nfs/dbraw/zinc/23/29/90/176232990.db2.gz NZUFDAIEXANKGH-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H]1CC[C@H]1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000669585657 487633570 /nfs/dbraw/zinc/63/35/70/487633570.db2.gz IAEJSVDWUTYTEW-OUAUKWLOSA-N 2 0 240.351 0.069 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000122382089 176268606 /nfs/dbraw/zinc/26/86/06/176268606.db2.gz CGIFUJONGZLMAW-GRYCIOLGSA-N 2 0 244.404 0.784 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000336751170 176269680 /nfs/dbraw/zinc/26/96/80/176269680.db2.gz CAECIYVLZXCBEH-WOPDTQHZSA-N 2 0 228.336 0.068 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H](O)[C@@H]1CCOC1 ZINC000358048268 176269962 /nfs/dbraw/zinc/26/99/62/176269962.db2.gz PBLYAQUGGNWJMC-NDBYEHHHSA-N 2 0 242.363 0.314 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000362740281 176271622 /nfs/dbraw/zinc/27/16/22/176271622.db2.gz HXWWWPLYMZSOIC-UTUOFQBUSA-N 2 0 239.363 0.347 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)C[NH+](C)C ZINC000341263504 176275496 /nfs/dbraw/zinc/27/54/96/176275496.db2.gz PFXXSYOKPXPWJY-IJLUTSLNSA-N 2 0 241.379 0.498 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1CC[NH+](C)C1 ZINC000362585018 176276206 /nfs/dbraw/zinc/27/62/06/176276206.db2.gz AYBMAQYUSVADMC-IJLUTSLNSA-N 2 0 239.363 0.252 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOCCO ZINC000036908374 176278216 /nfs/dbraw/zinc/27/82/16/176278216.db2.gz AUILJWBNYPIDRC-UTUOFQBUSA-N 2 0 230.352 0.314 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCOCCO ZINC000300418629 176278773 /nfs/dbraw/zinc/27/87/73/176278773.db2.gz YFBTWINERVPSMY-JHJVBQTASA-N 2 0 244.379 0.704 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCO ZINC000305067908 176300542 /nfs/dbraw/zinc/30/05/42/176300542.db2.gz JQVVKRBKMXNELM-UPJWGTAASA-N 2 0 242.363 0.458 20 0 BCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000094460010 176322991 /nfs/dbraw/zinc/32/29/91/176322991.db2.gz QRVWWBVCEYQBPX-IJLUTSLNSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@@H]1C[NH2+]CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000108356867 176327305 /nfs/dbraw/zinc/32/73/05/176327305.db2.gz DMIXMQCSUZVZQA-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000335895223 176328325 /nfs/dbraw/zinc/32/83/25/176328325.db2.gz JWJZROXWXPXONQ-GHMZBOCLSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000333612283 176329670 /nfs/dbraw/zinc/32/96/70/176329670.db2.gz QRBQNTFMDGMWJD-YUSALJHKSA-N 2 0 239.363 0.476 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000333612278 176329829 /nfs/dbraw/zinc/32/98/29/176329829.db2.gz QRBQNTFMDGMWJD-JLLWLGSASA-N 2 0 239.363 0.476 20 0 BCADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[NH2+]CC2)C1 ZINC000037482552 176360847 /nfs/dbraw/zinc/36/08/47/176360847.db2.gz XJFYXRDCBCSBDN-CHWSQXEVSA-N 2 0 225.380 0.870 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCOC2)CC[N@@H+]1C ZINC000300358425 176376504 /nfs/dbraw/zinc/37/65/04/176376504.db2.gz HBLBHPCEMHISAR-GRYCIOLGSA-N 2 0 228.336 0.210 20 0 BCADRP C[C@@H]1C[C@@H]1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352544925 176391286 /nfs/dbraw/zinc/39/12/86/176391286.db2.gz DTXXQYWTYBHUDE-UPJWGTAASA-N 2 0 223.364 0.622 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000365236039 176458208 /nfs/dbraw/zinc/45/82/08/176458208.db2.gz AOZHMNGNKAVGTA-ZPFDUUQYSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000373890298 176459323 /nfs/dbraw/zinc/45/93/23/176459323.db2.gz DGPMESYHDJSXHO-TUAOUCFPSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCCC[NH3+] ZINC000309820147 176536303 /nfs/dbraw/zinc/53/63/03/176536303.db2.gz WBZAEFNITVDTKM-MWLCHTKSSA-N 2 0 213.325 0.359 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)C[NH3+] ZINC000044806581 176625791 /nfs/dbraw/zinc/62/57/91/176625791.db2.gz AWNHNEHXXLDHPB-RKDXNWHRSA-N 2 0 201.314 0.038 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000367648887 176656196 /nfs/dbraw/zinc/65/61/96/176656196.db2.gz NKUKNDDRCNHVEM-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[NH2+]C1)C[NH+]1CCCC1 ZINC000062117037 176675970 /nfs/dbraw/zinc/67/59/70/176675970.db2.gz ZUBMTSCRLSGBJY-NEPJUHHUSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H]([NH3+])C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000309419959 176753742 /nfs/dbraw/zinc/75/37/42/176753742.db2.gz JSRPWSHJEHBYNT-YUMQZZPRSA-N 2 0 207.277 0.992 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C)[NH3+] ZINC000364778106 176762988 /nfs/dbraw/zinc/76/29/88/176762988.db2.gz DMGQOKDLUSJXMU-YTWAJWBKSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368368736 176768532 /nfs/dbraw/zinc/76/85/32/176768532.db2.gz DLBWGNHRGOIJTB-XWLWVQCSSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)CCC[NH3+] ZINC000237509202 177075956 /nfs/dbraw/zinc/07/59/56/177075956.db2.gz CAGFTMWFJLENJB-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP C[C@H]1CCN(C(=O)NCC(C)(C)[NH3+])C[C@H]1C[NH3+] ZINC000335357232 177149585 /nfs/dbraw/zinc/14/95/85/177149585.db2.gz IRRIHLJMHLXDRI-VHSXEESVSA-N 2 0 242.367 0.350 20 0 BCADRP C[C@@H]1[C@@H](C)CC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000335653176 177160977 /nfs/dbraw/zinc/16/09/77/177160977.db2.gz WCIRDCCNTNBJFF-NWDGAFQWSA-N 2 0 211.353 0.622 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000333498282 177220427 /nfs/dbraw/zinc/22/04/27/177220427.db2.gz FBRKREDIHAGJSP-HBNTYKKESA-N 2 0 240.351 0.130 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2CCCCC[NH2+]2)CC[NH2+]1 ZINC000364466253 177225130 /nfs/dbraw/zinc/22/51/30/177225130.db2.gz LLPYIHZLJDQWCK-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H]1CN(C(=O)[C@](C)([NH3+])c2ccccc2)CC[NH2+]1 ZINC000262932332 177225552 /nfs/dbraw/zinc/22/55/52/177225552.db2.gz SUYSNWDNCLOPCK-SMDDNHRTSA-N 2 0 247.342 0.681 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1coc(C[NH3+])c1 ZINC000334147190 177231823 /nfs/dbraw/zinc/23/18/23/177231823.db2.gz SWNGSNIOBITDIR-DTWKUNHWSA-N 2 0 237.303 0.561 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000362763802 177234508 /nfs/dbraw/zinc/23/45/08/177234508.db2.gz WJGQIBDCPFYIMW-RYUDHWBXSA-N 2 0 241.379 0.642 20 0 BCADRP C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)CC[C@@H]1[NH3+] ZINC000094341357 177261927 /nfs/dbraw/zinc/26/19/27/177261927.db2.gz YSZPSDPUPQQCQH-GWCFXTLKSA-N 2 0 247.342 0.955 20 0 BCADRP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1C[NH2+]C1 ZINC000094446935 177280259 /nfs/dbraw/zinc/28/02/59/177280259.db2.gz BJBZIUQQOFKTFN-CMPLNLGQSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCC[NH3+] ZINC000251638295 177280409 /nfs/dbraw/zinc/28/04/09/177280409.db2.gz FTGYNEFEGFUWFR-QWRGUYRKSA-N 2 0 225.336 0.420 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000125551875 177283597 /nfs/dbraw/zinc/28/35/97/177283597.db2.gz KJAZARIWFMYEHA-JTQLQIEISA-N 2 0 233.315 0.579 20 0 BCADRP C[C@H]1COCC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000354409878 177295408 /nfs/dbraw/zinc/29/54/08/177295408.db2.gz LVCBTYJFRDQPTB-RYUDHWBXSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NC(C)(C)C[NH3+])CC[NH2+]1 ZINC000309368801 177307365 /nfs/dbraw/zinc/30/73/65/177307365.db2.gz BOLPMDRVXAVLEM-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237637887 177313289 /nfs/dbraw/zinc/31/32/89/177313289.db2.gz NQGWWFAHDKQRTL-USZNOCQGSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)OCCO)CC[N@@H+]1C ZINC000336724645 177330678 /nfs/dbraw/zinc/33/06/78/177330678.db2.gz USGLFFNXSZESFI-RYUDHWBXSA-N 2 0 244.379 0.846 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCN2CCC2)CC[N@@H+]1C ZINC000309098292 177332041 /nfs/dbraw/zinc/33/20/41/177332041.db2.gz DOYRWRDJQGZENF-RYUDHWBXSA-N 2 0 211.353 0.764 20 0 BCADRP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000346181839 177354032 /nfs/dbraw/zinc/35/40/32/177354032.db2.gz BVNMDPATBBTYAA-GRYCIOLGSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@@H](O)C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000036908618 177369945 /nfs/dbraw/zinc/36/99/45/177369945.db2.gz IOZAKVVUHSCGGL-YTWAJWBKSA-N 2 0 200.326 0.686 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000331759732 177368189 /nfs/dbraw/zinc/36/81/89/177368189.db2.gz JWSFPNGCBJQTNN-UTLUCORTSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOCCO ZINC000036908375 177370215 /nfs/dbraw/zinc/37/02/15/177370215.db2.gz AUILJWBNYPIDRC-WOPDTQHZSA-N 2 0 230.352 0.314 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1c[nH+]ccc1N ZINC000294720770 177394960 /nfs/dbraw/zinc/39/49/60/177394960.db2.gz CNTVKALYFIPVHX-KCJUWKMLSA-N 2 0 234.303 0.534 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000094647862 177394997 /nfs/dbraw/zinc/39/49/97/177394997.db2.gz MKBCRCGSFPBDHX-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1c[nH]cn1 ZINC000335593285 177395394 /nfs/dbraw/zinc/39/53/94/177395394.db2.gz AGWFFXHNJDSZRU-SCZZXKLOSA-N 2 0 222.292 0.414 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000377566112 177395633 /nfs/dbraw/zinc/39/56/33/177395633.db2.gz SWZQWTXPAPUARA-WISYIIOYSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000367383512 177395860 /nfs/dbraw/zinc/39/58/60/177395860.db2.gz CEIZLOWGVRZDCJ-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)C1CC[NH2+]CC1 ZINC000193523418 177395890 /nfs/dbraw/zinc/39/58/90/177395890.db2.gz UQNDWTXXYYLBPK-MWLCHTKSSA-N 2 0 225.336 0.243 20 0 BCADRP COC[C@H](C)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000225714811 487638416 /nfs/dbraw/zinc/63/84/16/487638416.db2.gz QUXUNXRNZZEVCB-GMTAPVOTSA-N 2 0 200.326 0.938 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCN1C ZINC000226016918 487643680 /nfs/dbraw/zinc/64/36/80/487643680.db2.gz MMGHKXWGJLSOGM-VXGBXAGGSA-N 3 0 229.368 0.424 20 0 BCADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]C[C@@H]1CCCN1C ZINC000226011869 487643808 /nfs/dbraw/zinc/64/38/08/487643808.db2.gz MOMQOJJWXBHRNB-XQQFMLRXSA-N 2 0 241.379 0.437 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCC1 ZINC000486909556 225272529 /nfs/dbraw/zinc/27/25/29/225272529.db2.gz GGWIHFYJGSBZLQ-MNOVXSKESA-N 2 0 225.336 0.006 20 0 BCADRP CO[C@@](C)(CO)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000655787082 487645955 /nfs/dbraw/zinc/64/59/55/487645955.db2.gz SLTLPFOWJVYNKG-DGCLKSJQSA-N 2 0 244.379 0.704 20 0 BCADRP O=C(C=Cc1c[nH]cn1)NCC[NH+]1CCC1 ZINC000492899401 226077882 /nfs/dbraw/zinc/07/78/82/226077882.db2.gz MGBTZURYOWVCSD-IHWYPQMZSA-N 2 0 220.276 0.245 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000493966380 226259437 /nfs/dbraw/zinc/25/94/37/226259437.db2.gz AGQBAYFGQSUNOF-JBLDHEPKSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)[NH+](C)C ZINC000494243995 226262675 /nfs/dbraw/zinc/26/26/75/226262675.db2.gz FTXRHBWFWJKGSB-ZYHUDNBSSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@](C[NH3+])(NC(=O)CC[C@H]1CCC[NH2+]1)C1CC1 ZINC000494563761 226266207 /nfs/dbraw/zinc/26/62/07/226266207.db2.gz IONJSMJHOGBRNA-DGCLKSJQSA-N 2 0 239.363 0.762 20 0 BCADRP CN(C(=O)C[NH2+]C1CC1)C1(C[NH3+])CCC1 ZINC000557193188 322935107 /nfs/dbraw/zinc/93/51/07/322935107.db2.gz GMIFLTQQXRKURK-UHFFFAOYSA-N 2 0 211.309 0.078 20 0 BCADRP [NH3+]CC1(CN2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000335637591 487655010 /nfs/dbraw/zinc/65/50/10/487655010.db2.gz PYOGXLBWSIMAKP-CYBMUJFWSA-N 2 0 223.364 0.801 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000087471743 487659534 /nfs/dbraw/zinc/65/95/34/487659534.db2.gz MURQQBJNWGUREO-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000238142537 487664949 /nfs/dbraw/zinc/66/49/49/487664949.db2.gz XLRNGHMXHWWJSQ-WDEREUQCSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC12CC2 ZINC000424376843 229159933 /nfs/dbraw/zinc/15/99/33/229159933.db2.gz PZDGPJYYCRYADI-NAKRPEOUSA-N 2 0 210.321 0.881 20 0 BCADRP COCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000308855599 229253550 /nfs/dbraw/zinc/25/35/50/229253550.db2.gz NUYFMEMZKTWFLH-TXEJJXNPSA-N 2 0 212.337 0.954 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000150989333 487684821 /nfs/dbraw/zinc/68/48/21/487684821.db2.gz YFSGJOMZPADMTA-UWVGGRQHSA-N 2 0 213.325 0.147 20 0 BCADRP C[NH+](C)C1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000088050417 487696346 /nfs/dbraw/zinc/69/63/46/487696346.db2.gz VXVAXWVEXIZRIH-UHFFFAOYSA-N 2 0 225.336 0.420 20 0 BCADRP CC[NH2+]CC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000082645656 487704418 /nfs/dbraw/zinc/70/44/18/487704418.db2.gz LDBGPJNKWSQRIJ-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000669403288 487705442 /nfs/dbraw/zinc/70/54/42/487705442.db2.gz SAVZGSVERLYBBY-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000669403193 487705462 /nfs/dbraw/zinc/70/54/62/487705462.db2.gz OIVNJJXMLQYDDI-WDEREUQCSA-N 2 0 242.367 0.363 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC000669403344 487705527 /nfs/dbraw/zinc/70/55/27/487705527.db2.gz WADWGACERJHYNI-MNOVXSKESA-N 2 0 240.351 0.084 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)NC(C)(C)C[NH3+])C1 ZINC000669403085 487705990 /nfs/dbraw/zinc/70/59/90/487705990.db2.gz IOYWLTYRCUBERF-SECBINFHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000669403381 487706775 /nfs/dbraw/zinc/70/67/75/487706775.db2.gz YACIAUWNPCLLHS-GUBZILKMSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000669403383 487707308 /nfs/dbraw/zinc/70/73/08/487707308.db2.gz YACIAUWNPCLLHS-LPEHRKFASA-N 2 0 228.340 0.116 20 0 BCADRP COC[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164445 487707592 /nfs/dbraw/zinc/70/75/92/487707592.db2.gz UGFGMDUNAQNLSK-WVMKXHBISA-N 2 0 242.363 0.599 20 0 BCADRP C[NH+](C)CCC[NH2+][C@H]1CCCNC(=O)C1 ZINC000082667161 487713113 /nfs/dbraw/zinc/71/31/13/487713113.db2.gz PRTFFSRCZXGGQW-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000249556185 487721267 /nfs/dbraw/zinc/72/12/67/487721267.db2.gz JVKYXWJKYQKTJC-GRYCIOLGSA-N 2 0 239.363 0.620 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000226394355 487730124 /nfs/dbraw/zinc/73/01/24/487730124.db2.gz BYMHIKAJOPOULP-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000250356597 487730265 /nfs/dbraw/zinc/73/02/65/487730265.db2.gz OYMCVKWTWLDIBY-VXGBXAGGSA-N 2 0 227.352 0.001 20 0 BCADRP C[C@@H](CNC(=O)CC(C)(C)[NH3+])[NH+](C)C ZINC000082772119 487730470 /nfs/dbraw/zinc/73/04/70/487730470.db2.gz OKQIGQFQLAVGEG-QMMMGPOBSA-N 2 0 201.314 0.180 20 0 BCADRP C[N@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCCOC1 ZINC000250356397 487730485 /nfs/dbraw/zinc/73/04/85/487730485.db2.gz BXPNVNOKMNZLPR-VXGBXAGGSA-N 2 0 212.337 0.954 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)CC1([NH3+])CCC1 ZINC000226394862 487731422 /nfs/dbraw/zinc/73/14/22/487731422.db2.gz OMAQPIRELJUROM-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)CC(C)(C)[NH3+] ZINC000082772349 487731402 /nfs/dbraw/zinc/73/14/02/487731402.db2.gz LFJPBQDTXXWCAD-SECBINFHSA-N 2 0 215.341 0.570 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH2+]CC2)C1 ZINC000042361724 487734313 /nfs/dbraw/zinc/73/43/13/487734313.db2.gz LXVIXVSCNVVEFL-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP Cc1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)cn1 ZINC000228858575 487738873 /nfs/dbraw/zinc/73/88/73/487738873.db2.gz ZCHQCUJFEKKRME-UHFFFAOYSA-N 2 0 248.374 0.727 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@H](C)O ZINC000251027428 487746560 /nfs/dbraw/zinc/74/65/60/487746560.db2.gz GWPAPZQOZQQWGC-OUAUKWLOSA-N 2 0 212.337 0.830 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000082920585 487753227 /nfs/dbraw/zinc/75/32/27/487753227.db2.gz FIMLVNNZIBCPOW-MNOVXSKESA-N 2 0 225.336 0.324 20 0 BCADRP C1C[C@@H]2C[C@@H](N[C@H]3CC[NH2+]C3)CC[N@@H+]2C1 ZINC000251324574 487753581 /nfs/dbraw/zinc/75/35/81/487753581.db2.gz OMHPFRBJLVWDAJ-SDDRHHMPSA-N 2 0 209.337 0.565 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CC1 ZINC000082921786 487754133 /nfs/dbraw/zinc/75/41/33/487754133.db2.gz ZSUZKXAKIGFJQK-MNOVXSKESA-N 2 0 225.336 0.324 20 0 BCADRP C[NH+](C)CCCCNC(=O)CCC(C)(C)[NH3+] ZINC000069634119 487757089 /nfs/dbraw/zinc/75/70/89/487757089.db2.gz OKNRSZSPYLCTTM-UHFFFAOYSA-N 2 0 229.368 0.962 20 0 BCADRP C[N@H+](CCNC(=O)CCC(C)(C)[NH3+])C1CC1 ZINC000069634226 487757262 /nfs/dbraw/zinc/75/72/62/487757262.db2.gz SJHVJFSULFNRNH-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000309834928 487761017 /nfs/dbraw/zinc/76/10/17/487761017.db2.gz ZXJLYMBMBJMMDR-NXEZZACHSA-N 2 0 213.325 0.213 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000309834929 487761289 /nfs/dbraw/zinc/76/12/89/487761289.db2.gz ZXJLYMBMBJMMDR-ZJUUUORDSA-N 2 0 213.325 0.213 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674265633 487763105 /nfs/dbraw/zinc/76/31/05/487763105.db2.gz UVIPVFUTXQDZLF-NSHDSACASA-N 2 0 227.352 0.491 20 0 BCADRP CC(C)[N@H+](C)CCCNC(=O)C1([NH+](C)C)CC1 ZINC000666312389 487784486 /nfs/dbraw/zinc/78/44/86/487784486.db2.gz VRHVVIAPMPFULT-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP CO[C@H](C)C[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000223952444 487806437 /nfs/dbraw/zinc/80/64/37/487806437.db2.gz LYTFZAUGFMREEX-HBNTYKKESA-N 2 0 216.325 0.378 20 0 BCADRP O=C1CC[C@@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)N1 ZINC000156106997 487814326 /nfs/dbraw/zinc/81/43/26/487814326.db2.gz YNZBRXZUEAXIPC-WOPDTQHZSA-N 2 0 237.347 0.481 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322616934 487814556 /nfs/dbraw/zinc/81/45/56/487814556.db2.gz QILRNJUEPSPWQU-YEJSDXFRSA-N 2 0 239.363 0.583 20 0 BCADRP CCC1(CO)CC[NH+](CCC[NH3+])CC1 ZINC000414692623 487817917 /nfs/dbraw/zinc/81/79/17/487817917.db2.gz CVRWRTRVSGQCEX-UHFFFAOYSA-N 2 0 200.326 0.820 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000156150852 487819423 /nfs/dbraw/zinc/81/94/23/487819423.db2.gz CJBNMXFCDQRIMV-WOPDTQHZSA-N 2 0 241.379 0.946 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000493823200 527804469 /nfs/dbraw/zinc/80/44/69/527804469.db2.gz RPDJEKMHSSKGMP-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000494644169 487836555 /nfs/dbraw/zinc/83/65/55/487836555.db2.gz ZFWNJAOFQIWBBV-GRYCIOLGSA-N 2 0 239.363 0.905 20 0 BCADRP C[C@@H](CO)[N@H+](CCC[NH3+])CC1CCC1 ZINC000415111871 487838541 /nfs/dbraw/zinc/83/85/41/487838541.db2.gz UVECORGTVNIYDF-JTQLQIEISA-N 2 0 200.326 0.818 20 0 BCADRP C[NH+](C)CCCNC(=O)c1ccc(C[NH3+])o1 ZINC000011628011 487842834 /nfs/dbraw/zinc/84/28/34/487842834.db2.gz KWBMDTMZXQEOFU-UHFFFAOYSA-N 2 0 225.292 0.420 20 0 BCADRP C[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000309640599 632608744 /nfs/dbraw/zinc/60/87/44/632608744.db2.gz OISBMYOTBWBYQQ-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP [NH3+]CCC[N@H+](CCO)CCc1ccccc1 ZINC000666640958 487849750 /nfs/dbraw/zinc/84/97/50/487849750.db2.gz JNKOQAKZAWIICH-UHFFFAOYSA-N 2 0 222.332 0.872 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659539300 487850995 /nfs/dbraw/zinc/85/09/95/487850995.db2.gz CZURVABNZWSVKI-VHSXEESVSA-N 2 0 242.367 0.363 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000089747948 487851665 /nfs/dbraw/zinc/85/16/65/487851665.db2.gz OIZXCGDLWPIHQK-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP COC[C@H](C)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000253125781 487855255 /nfs/dbraw/zinc/85/52/55/487855255.db2.gz QUXUNXRNZZEVCB-OUAUKWLOSA-N 2 0 200.326 0.938 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373044958 487856598 /nfs/dbraw/zinc/85/65/98/487856598.db2.gz WKMULWYUMIRXKP-GVXVVHGQSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000648122097 487860167 /nfs/dbraw/zinc/86/01/67/487860167.db2.gz JTYQOLBNQSRBOQ-ILAIQSSSSA-N 2 0 223.320 0.123 20 0 BCADRP C[C@H](O)C[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000666689569 487860970 /nfs/dbraw/zinc/86/09/70/487860970.db2.gz HVIOGSGDSQDNIZ-VWYCJHECSA-N 2 0 200.326 0.687 20 0 BCADRP C[C@H](O)C[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000666689566 487861021 /nfs/dbraw/zinc/86/10/21/487861021.db2.gz HVIOGSGDSQDNIZ-DCAQKATOSA-N 2 0 200.326 0.687 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)OC ZINC000234788096 487877969 /nfs/dbraw/zinc/87/79/69/487877969.db2.gz FYIJHMOIHBBUTD-ZJUUUORDSA-N 2 0 204.314 0.365 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652206739 487879167 /nfs/dbraw/zinc/87/91/67/487879167.db2.gz RHDHHFCVBPTQFL-JTQLQIEISA-N 2 0 242.367 0.398 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCC1(C[NH3+])CC1 ZINC000652225175 487883117 /nfs/dbraw/zinc/88/31/17/487883117.db2.gz SBDAOGGMVCPTSY-VHSXEESVSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652225174 487883641 /nfs/dbraw/zinc/88/36/41/487883641.db2.gz SBDAOGGMVCPTSY-UWVGGRQHSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@@H](NC(=O)NCCC1(C[NH3+])CC1)[C@H](C)[NH3+] ZINC000652220532 487884506 /nfs/dbraw/zinc/88/45/06/487884506.db2.gz CLCQNTROEJFYHY-DTWKUNHWSA-N 2 0 228.340 0.150 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCC1CC[NH2+]CC1 ZINC000652220845 487885707 /nfs/dbraw/zinc/88/57/07/487885707.db2.gz KQZVUSKHSPOTNN-ZJUUUORDSA-N 2 0 242.367 0.411 20 0 BCADRP CC[N@H+](CCNC(=O)NC/C=C\C[NH3+])C1CC1 ZINC000669444675 487889375 /nfs/dbraw/zinc/88/93/75/487889375.db2.gz DUDPUUOOPSLIEU-ARJAWSKDSA-N 2 0 240.351 0.285 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCCCO ZINC000925652668 646390981 /nfs/dbraw/zinc/39/09/81/646390981.db2.gz HRPYWZAXDVZXIZ-SNVBAGLBSA-N 2 0 200.326 0.879 20 0 BCADRP CC(C)C[C@@H]([NH3+])CNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666948183 487912548 /nfs/dbraw/zinc/91/25/48/487912548.db2.gz UEBIQPFTMMYJKX-AXFHLTTASA-N 2 0 217.332 0.649 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([C@H](C)O)C1 ZINC000582554317 487917136 /nfs/dbraw/zinc/91/71/36/487917136.db2.gz JQIAJSZTEKLHHI-AVGNSLFASA-N 2 0 244.379 0.392 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCCC[NH2+]C ZINC000417298760 487923573 /nfs/dbraw/zinc/92/35/73/487923573.db2.gz LNZYSRIVWSDTME-LLVKDONJSA-N 2 0 244.383 0.625 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417305222 487923687 /nfs/dbraw/zinc/92/36/87/487923687.db2.gz VULYYNUFHIMWFH-QWRGUYRKSA-N 2 0 244.383 0.705 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N(C)CC[NH2+]C ZINC000417304851 487923723 /nfs/dbraw/zinc/92/37/23/487923723.db2.gz VDSDCGZFRJWDJX-LLVKDONJSA-N 2 0 244.383 0.578 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000417295600 487923802 /nfs/dbraw/zinc/92/38/02/487923802.db2.gz FIOYOWVHPGZOAK-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000417304203 487923826 /nfs/dbraw/zinc/92/38/26/487923826.db2.gz UAZYWMUAXVUEBH-NSHDSACASA-N 2 0 244.383 0.625 20 0 BCADRP [NH3+]CCN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652364132 487933084 /nfs/dbraw/zinc/93/30/84/487933084.db2.gz ZBIBWFNUHDGDTP-TUAOUCFPSA-N 3 0 227.352 0.306 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000652364274 487934239 /nfs/dbraw/zinc/93/42/39/487934239.db2.gz CHWFBXTZCHZGCP-VHSXEESVSA-N 2 0 234.290 0.688 20 0 BCADRP NC(=O)C[C@@H]1CC[N@H+](CCCn2ccnc2)C1 ZINC000676881318 487938271 /nfs/dbraw/zinc/93/82/71/487938271.db2.gz SDEUDRDUAAHZAR-NSHDSACASA-N 2 0 236.319 0.471 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000185007970 487938423 /nfs/dbraw/zinc/93/84/23/487938423.db2.gz JRDRNQVBYUUAEV-HGCLJGPKSA-N 2 0 237.347 0.310 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659556365 487939370 /nfs/dbraw/zinc/93/93/70/487939370.db2.gz RWHALNAKXNFBFC-SGIHWFKDSA-N 2 0 246.330 0.193 20 0 BCADRP C[C@H](CC(=O)N1CC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000152364550 487946667 /nfs/dbraw/zinc/94/66/67/487946667.db2.gz KLFTYWYAYAKFCW-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)[N@H+](C)C1CC1 ZINC000188755748 487949113 /nfs/dbraw/zinc/94/91/13/487949113.db2.gz HAJMOXKXSIOVEZ-WCABBAIRSA-N 2 0 243.326 0.285 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)NCC[NH+](C)C ZINC000083862841 487953380 /nfs/dbraw/zinc/95/33/80/487953380.db2.gz JVDUNNUHQMUBPU-NSHDSACASA-N 2 0 229.368 0.675 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)N(C)CC[NH2+]C ZINC000417818310 487956649 /nfs/dbraw/zinc/95/66/49/487956649.db2.gz SBASHMVQWXTOGN-UHFFFAOYSA-N 2 0 244.383 0.579 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C[NH2+]C1CC1 ZINC000041680167 322836233 /nfs/dbraw/zinc/83/62/33/322836233.db2.gz KDBCKZJKMVNOIE-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000557169155 322934799 /nfs/dbraw/zinc/93/47/99/322934799.db2.gz YKFYTSQDGMERNZ-QWRGUYRKSA-N 2 0 227.352 0.489 20 0 BCADRP [NH3+]Cc1cc(C(=O)NCC2CC[NH2+]CC2)ccn1 ZINC000564836230 322935989 /nfs/dbraw/zinc/93/59/89/322935989.db2.gz PDCVZJRPINEZEP-UHFFFAOYSA-N 2 0 248.330 0.270 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCCNc1cc[nH+]cc1 ZINC000569571111 322970776 /nfs/dbraw/zinc/97/07/76/322970776.db2.gz AZENGIRVTHMXTA-SNVBAGLBSA-N 2 0 236.319 0.159 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)CCC[NH3+])CC1 ZINC000569603084 322972350 /nfs/dbraw/zinc/97/23/50/322972350.db2.gz WBAGTDCYAUELRB-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000569605689 322972429 /nfs/dbraw/zinc/97/24/29/322972429.db2.gz PFENRCJMIBRCSD-DDHJBXDOSA-N 2 0 211.353 0.986 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000566253063 322979945 /nfs/dbraw/zinc/97/99/45/322979945.db2.gz YGLIDZXBQLIJKX-DCAQKATOSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449758465 323008900 /nfs/dbraw/zinc/00/89/00/323008900.db2.gz ZYWDSDILPMBJMY-MXWKQRLJSA-N 2 0 239.363 0.631 20 0 BCADRP C[NH+](C)Cc1ccc(CNC(=O)CC[NH3+])cc1 ZINC000561945299 323009005 /nfs/dbraw/zinc/00/90/05/323009005.db2.gz JJXHBEUHKITZEU-UHFFFAOYSA-N 2 0 235.331 0.713 20 0 BCADRP C[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[C@@H]1[NH3+] ZINC000564726329 323010235 /nfs/dbraw/zinc/01/02/35/323010235.db2.gz PHMPWIKVZVLSBB-GWCFXTLKSA-N 2 0 247.342 0.955 20 0 BCADRP [NH3+]CCC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000169113416 323027333 /nfs/dbraw/zinc/02/73/33/323027333.db2.gz QBCKDDBQPRSNQZ-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000562805380 323031003 /nfs/dbraw/zinc/03/10/03/323031003.db2.gz OGFCSGRCTBVYJH-MNOVXSKESA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)[C@H]1CCCCC[NH2+]1)C(F)F ZINC000562810657 323031200 /nfs/dbraw/zinc/03/12/00/323031200.db2.gz YLKZSACAGUSQKN-RKDXNWHRSA-N 2 0 249.305 0.617 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@@H]1CCCCC[NH2+]1)C(F)F ZINC000562810656 323031201 /nfs/dbraw/zinc/03/12/01/323031201.db2.gz YLKZSACAGUSQKN-IUCAKERBSA-N 2 0 249.305 0.617 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)NCC[C@H](C)[NH3+] ZINC000562814884 323031486 /nfs/dbraw/zinc/03/14/86/323031486.db2.gz MEWYZPYXBUZLJP-JTQLQIEISA-N 2 0 230.356 0.411 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000569676854 323036532 /nfs/dbraw/zinc/03/65/32/323036532.db2.gz HKCNQKXAQKDQPI-NOOOWODRSA-N 2 0 237.347 0.195 20 0 BCADRP COCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397252279 323038532 /nfs/dbraw/zinc/03/85/32/323038532.db2.gz DAGZRZMUYRSAAU-DCAQKATOSA-N 2 0 200.326 0.938 20 0 BCADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000569727844 323039076 /nfs/dbraw/zinc/03/90/76/323039076.db2.gz UVVJLZQVQLDAPO-VHSXEESVSA-N 2 0 215.341 0.569 20 0 BCADRP CC[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000572603518 323039693 /nfs/dbraw/zinc/03/96/93/323039693.db2.gz IFPXEUXCMDAXNC-MWLCHTKSSA-N 2 0 248.330 0.573 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000569843809 323042612 /nfs/dbraw/zinc/04/26/12/323042612.db2.gz SZLHKGVCPDTHBB-GMTAPVOTSA-N 2 0 225.336 0.230 20 0 BCADRP CCC[C@@H](C(=O)NCCCC[NH3+])[NH+](C)C ZINC000569843621 323042698 /nfs/dbraw/zinc/04/26/98/323042698.db2.gz HRRAIQARCLVUIJ-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP C[C@@]1(C(=O)NCCC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000570037313 323047810 /nfs/dbraw/zinc/04/78/10/323047810.db2.gz QQMGZRZHEIGRQI-DGCLKSJQSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@H](C[NH2+][C@H](C)[C@@H](C)O)CN1CC[NH+](C)CC1 ZINC000570082555 323049399 /nfs/dbraw/zinc/04/93/99/323049399.db2.gz MXLFSTKAHDMZMR-JHJVBQTASA-N 2 0 243.395 0.229 20 0 BCADRP C[C@H](C[NH2+][C@H](C)[C@H](C)O)CN1CC[NH+](C)CC1 ZINC000570082556 323049486 /nfs/dbraw/zinc/04/94/86/323049486.db2.gz MXLFSTKAHDMZMR-UPJWGTAASA-N 2 0 243.395 0.229 20 0 BCADRP C[NH2+]CC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000570164025 323051579 /nfs/dbraw/zinc/05/15/79/323051579.db2.gz LCDFVBGNWYXAJS-UHFFFAOYSA-N 2 0 207.277 0.564 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000570165796 323051590 /nfs/dbraw/zinc/05/15/90/323051590.db2.gz CVBOTGPIEDJAPQ-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000570165797 323051654 /nfs/dbraw/zinc/05/16/54/323051654.db2.gz CVBOTGPIEDJAPQ-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH+](C)[C@H]1CN(CC[NH+]2CCCCC2)C[C@@H]1O ZINC000570173521 323051919 /nfs/dbraw/zinc/05/19/19/323051919.db2.gz ISNPLSYBYFKJQY-STQMWFEESA-N 2 0 241.379 0.079 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000570210842 323052939 /nfs/dbraw/zinc/05/29/39/323052939.db2.gz ZNNULBNAHXHCPG-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000570211979 323052965 /nfs/dbraw/zinc/05/29/65/323052965.db2.gz MNKSLTCRKSVIHJ-CYZMBNFOSA-N 2 0 247.342 0.882 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000570210746 323052969 /nfs/dbraw/zinc/05/29/69/323052969.db2.gz TVCPFSFUYRVQCB-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000570211980 323052990 /nfs/dbraw/zinc/05/29/90/323052990.db2.gz MNKSLTCRKSVIHJ-DRZSPHRISA-N 2 0 247.342 0.882 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000570210747 323053000 /nfs/dbraw/zinc/05/30/00/323053000.db2.gz TVCPFSFUYRVQCB-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000570211981 323053034 /nfs/dbraw/zinc/05/30/34/323053034.db2.gz MNKSLTCRKSVIHJ-UHTWSYAYSA-N 2 0 247.342 0.882 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000570265071 323054337 /nfs/dbraw/zinc/05/43/37/323054337.db2.gz KZYMQYAUFKJCTE-GHMZBOCLSA-N 2 0 242.367 0.283 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000570307088 323055997 /nfs/dbraw/zinc/05/59/97/323055997.db2.gz BMGFWDQLCDRONR-ZMLRMANQSA-N 2 0 237.347 0.337 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000570319588 323056123 /nfs/dbraw/zinc/05/61/23/323056123.db2.gz JYYAZEFSBOEPJI-JTQLQIEISA-N 2 0 213.325 0.230 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000570568431 323063375 /nfs/dbraw/zinc/06/33/75/323063375.db2.gz WCPXALOGQFPSNO-NWDGAFQWSA-N 2 0 239.363 0.573 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000570570894 323063575 /nfs/dbraw/zinc/06/35/75/323063575.db2.gz JNYBEPOHZVZATO-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000570696993 323067787 /nfs/dbraw/zinc/06/77/87/323067787.db2.gz YWFKUJRNCOFYQI-JTQLQIEISA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000570716888 323068395 /nfs/dbraw/zinc/06/83/95/323068395.db2.gz FFFZKPTWEUQPMF-MXWKQRLJSA-N 2 0 225.336 0.372 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000570845480 323072681 /nfs/dbraw/zinc/07/26/81/323072681.db2.gz MPMLIEXHSQOPIY-VHSXEESVSA-N 2 0 229.368 0.994 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CC[C@@](C)(F)C1 ZINC000572659706 323072715 /nfs/dbraw/zinc/07/27/15/323072715.db2.gz NWSIMJGKJXQGCQ-GHMZBOCLSA-N 2 0 218.316 0.733 20 0 BCADRP CN(C(=O)[C@H]1CC[NH2+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000570927092 323074385 /nfs/dbraw/zinc/07/43/85/323074385.db2.gz VGLMQTFMBFQECV-KJLIAQIISA-N 2 0 223.320 0.090 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H](C)[NH2+]C ZINC000570940083 323075791 /nfs/dbraw/zinc/07/57/91/323075791.db2.gz CPZJWKDSJZFIKB-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000562981447 323077923 /nfs/dbraw/zinc/07/79/23/323077923.db2.gz LYIFCZNSGCMAIH-OUAUKWLOSA-N 2 0 227.352 0.380 20 0 BCADRP COC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000562984911 323078050 /nfs/dbraw/zinc/07/80/50/323078050.db2.gz MUCIAFAOESZWBV-OLZOCXBDSA-N 2 0 244.379 0.705 20 0 BCADRP COC[C@@H](O)C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000562984912 323078141 /nfs/dbraw/zinc/07/81/41/323078141.db2.gz MUCIAFAOESZWBV-STQMWFEESA-N 2 0 244.379 0.705 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000309660808 323082639 /nfs/dbraw/zinc/08/26/39/323082639.db2.gz XSQDBVZGRDHFAT-SNVBAGLBSA-N 2 0 213.325 0.102 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000040490704 323089865 /nfs/dbraw/zinc/08/98/65/323089865.db2.gz FVDNLMRZZJWPRH-UTLUCORTSA-N 2 0 215.341 0.426 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000563093169 323091835 /nfs/dbraw/zinc/09/18/35/323091835.db2.gz XSZWDJZSRGJWOY-ZJUUUORDSA-N 2 0 230.356 0.411 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@H]([NH3+])C1CCC1 ZINC000567848388 323092700 /nfs/dbraw/zinc/09/27/00/323092700.db2.gz ACJFRTACTKVZNK-WCBMZHEXSA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000563107737 323092831 /nfs/dbraw/zinc/09/28/31/323092831.db2.gz ZTKUJWVONNQGOH-WDEREUQCSA-N 2 0 227.352 0.489 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC000563113944 323093208 /nfs/dbraw/zinc/09/32/08/323093208.db2.gz SMLPSENCMOTXOI-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000563118705 323093779 /nfs/dbraw/zinc/09/37/79/323093779.db2.gz BGLDYKDQZVEBOH-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000563119132 323093935 /nfs/dbraw/zinc/09/39/35/323093935.db2.gz LEXPSAZYQZWAIX-DGCLKSJQSA-N 2 0 247.342 0.727 20 0 BCADRP C[C@@H]1C[C@@H](CN2CCO[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000563136748 323094828 /nfs/dbraw/zinc/09/48/28/323094828.db2.gz UDLGWLOZIXGHIR-WOPDTQHZSA-N 3 0 227.352 0.034 20 0 BCADRP CC(C)(C[NH3+])NC(=O)CCC1CC[NH2+]CC1 ZINC000563141768 323095137 /nfs/dbraw/zinc/09/51/37/323095137.db2.gz LMBGLBVUEXGBSH-UHFFFAOYSA-N 2 0 227.352 0.620 20 0 BCADRP CCN(C)C(=O)CCN(C)[C@H]1CC[NH2+]C1 ZINC000563153028 323095913 /nfs/dbraw/zinc/09/59/13/323095913.db2.gz JQBGFFXWGVWUSG-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP C[C@H]([NH3+])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000563160412 323097446 /nfs/dbraw/zinc/09/74/46/323097446.db2.gz PPZNYBUOGUZJCL-VIFPVBQESA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000563169274 323099697 /nfs/dbraw/zinc/09/96/97/323099697.db2.gz GJRLBAGUQXINQP-VGMNWLOBSA-N 2 0 201.314 0.212 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000563171289 323099877 /nfs/dbraw/zinc/09/98/77/323099877.db2.gz ZFVQBSUWMSKATQ-LPEHRKFASA-N 2 0 213.325 0.371 20 0 BCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000563424359 323124046 /nfs/dbraw/zinc/12/40/46/323124046.db2.gz LRGMJKBGQHEWBL-WDEREUQCSA-N 2 0 248.392 0.671 20 0 BCADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C1(C)CC1 ZINC000567375349 323124300 /nfs/dbraw/zinc/12/43/00/323124300.db2.gz UAWOMUISKRLKIL-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000563589020 323130740 /nfs/dbraw/zinc/13/07/40/323130740.db2.gz YNQJMPZTMXSUSR-ZJUUUORDSA-N 2 0 213.325 0.372 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000571081334 323135061 /nfs/dbraw/zinc/13/50/61/323135061.db2.gz MCGBZFWVVJOTRD-LBPRGKRZSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+]C(C)(C)C(=O)N(C)C)CC[NH2+]1 ZINC000571146952 323136597 /nfs/dbraw/zinc/13/65/97/323136597.db2.gz WAUHRJIQQNPYCM-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000571573336 323148208 /nfs/dbraw/zinc/14/82/08/323148208.db2.gz ZDAIGEMWWAWZBW-DCAQKATOSA-N 2 0 200.326 0.687 20 0 BCADRP CC(=O)N1CCC([NH2+]C2CC([NH+](C)C)C2)CC1 ZINC000571581338 323148540 /nfs/dbraw/zinc/14/85/40/323148540.db2.gz MESBCCHZTMSUIL-UHFFFAOYSA-N 2 0 239.363 0.680 20 0 BCADRP CN1CCC([N@H+](CCO)CC2CC2)CC1 ZINC000305083430 323166995 /nfs/dbraw/zinc/16/69/95/323166995.db2.gz RVNIMTMZBFNFLR-UHFFFAOYSA-N 2 0 212.337 0.785 20 0 BCADRP Cn1ccc(C[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000112838020 323172858 /nfs/dbraw/zinc/17/28/58/323172858.db2.gz FYVOBLCHLNMWLO-UHFFFAOYSA-N 2 0 222.336 0.852 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000563712764 323175076 /nfs/dbraw/zinc/17/50/76/323175076.db2.gz KEBSYUXPBKEIFC-VWYCJHECSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH3+] ZINC000308841436 323179980 /nfs/dbraw/zinc/17/99/80/323179980.db2.gz KGNDKIJVEXSDGS-CIUDSAMLSA-N 2 0 201.314 0.213 20 0 BCADRP CC(C)OC(=O)CCN(C)[C@@H]1CC[NH2+]C1 ZINC000563887742 323183272 /nfs/dbraw/zinc/18/32/72/323183272.db2.gz PLZPARLQRHJMJH-SNVBAGLBSA-N 2 0 214.309 0.622 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000070318088 323186488 /nfs/dbraw/zinc/18/64/88/323186488.db2.gz OLNPJNCRIZTQQD-RYUDHWBXSA-N 2 0 239.363 0.811 20 0 BCADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1COCCN1 ZINC000530182681 323205776 /nfs/dbraw/zinc/20/57/76/323205776.db2.gz YPGHXBGKMGGKTJ-YNEHKIRRSA-N 2 0 239.363 0.191 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000532217321 323209040 /nfs/dbraw/zinc/20/90/40/323209040.db2.gz NKLZAEALNIAYII-GFCCVEGCSA-N 2 0 241.379 0.738 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000309410495 323381924 /nfs/dbraw/zinc/38/19/24/323381924.db2.gz IMYCLQIYMXLACE-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418400662 323391590 /nfs/dbraw/zinc/39/15/90/323391590.db2.gz MMVKLUKRZPJABX-MNOVXSKESA-N 2 0 242.367 0.396 20 0 BCADRP C[NH2+]CCC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000564084930 323427359 /nfs/dbraw/zinc/42/73/59/323427359.db2.gz BQQJWYLDAYUWEN-OLZOCXBDSA-N 3 0 241.379 0.424 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000572035681 323528514 /nfs/dbraw/zinc/52/85/14/323528514.db2.gz KLRXIQAFFHMENL-VHSXEESVSA-N 2 0 225.336 0.087 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000572040832 323529147 /nfs/dbraw/zinc/52/91/47/323529147.db2.gz MIZMOHCLWCDICM-CYBMUJFWSA-N 2 0 247.342 0.761 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000572155576 323554083 /nfs/dbraw/zinc/55/40/83/323554083.db2.gz MBKSFLCRQTUXHM-ZJUUUORDSA-N 2 0 239.363 0.713 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000572256116 323579196 /nfs/dbraw/zinc/57/91/96/323579196.db2.gz BLLAHQNOAVWIEV-BDAKNGLRSA-N 2 0 201.314 0.228 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000083889433 487959586 /nfs/dbraw/zinc/95/95/86/487959586.db2.gz AILVCSFMXVEHGX-JTQLQIEISA-N 2 0 241.379 0.960 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000537215364 324038387 /nfs/dbraw/zinc/03/83/87/324038387.db2.gz BWSXBOJLVXOMBZ-LLVKDONJSA-N 2 0 227.352 0.348 20 0 BCADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)COC ZINC000122795201 324058256 /nfs/dbraw/zinc/05/82/56/324058256.db2.gz JAPAGGYSGBKBPW-VXGBXAGGSA-N 2 0 232.368 0.968 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000572481081 324121846 /nfs/dbraw/zinc/12/18/46/324121846.db2.gz OTVQLBQILOKHLS-DCAQKATOSA-N 2 0 227.352 0.428 20 0 BCADRP CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1cnc(C)n1C ZINC000572498358 324134621 /nfs/dbraw/zinc/13/46/21/324134621.db2.gz PZVCMUXCOGLEMM-VXGBXAGGSA-N 2 0 241.335 0.340 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000529344367 324277548 /nfs/dbraw/zinc/27/75/48/324277548.db2.gz XZUSCIMLSBMSTI-QWRGUYRKSA-N 2 0 242.367 0.363 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1COCC[NH2+]1 ZINC000530220690 324539435 /nfs/dbraw/zinc/53/94/35/324539435.db2.gz CMYZHDINFYATQP-IJLUTSLNSA-N 2 0 227.352 0.224 20 0 BCADRP C[C@]1(CN[C@H]2CC[NH2+]C23CCC3)CC[NH2+]C1 ZINC000530244743 324555372 /nfs/dbraw/zinc/55/53/72/324555372.db2.gz NCVGULUYRJMSIV-RYUDHWBXSA-N 2 0 223.364 0.860 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCCCC1 ZINC000083907425 487964085 /nfs/dbraw/zinc/96/40/85/487964085.db2.gz OUFJKSPOPNVQAR-SNVBAGLBSA-N 2 0 213.325 0.278 20 0 BCADRP CC[C@H](C(=O)NCC[NH2+]C(C)(C)C)[NH+](C)C ZINC000126541836 324702784 /nfs/dbraw/zinc/70/27/84/324702784.db2.gz LKNSNUGZSNPGRV-SNVBAGLBSA-N 2 0 229.368 0.831 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000083913542 487964769 /nfs/dbraw/zinc/96/47/69/487964769.db2.gz YIDIZSUUUFLUHJ-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000127665171 324781044 /nfs/dbraw/zinc/78/10/44/324781044.db2.gz NAPDACAVUDOBHB-WCQYABFASA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)CC[NH2+]C(C)C ZINC000131888944 325189626 /nfs/dbraw/zinc/18/96/26/325189626.db2.gz KVSLSHZQEKFNGA-NSHDSACASA-N 2 0 229.368 0.864 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000132937168 325255326 /nfs/dbraw/zinc/25/53/26/325255326.db2.gz DIDCVDIMUICVEU-NWDGAFQWSA-N 2 0 241.379 0.973 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC(C)(C)CC[NH3+] ZINC000564318931 325348247 /nfs/dbraw/zinc/34/82/47/325348247.db2.gz WOVGDVCLGCHNRT-UHFFFAOYSA-N 2 0 215.341 0.618 20 0 BCADRP CC[NH2+]CCCNC(=O)CC1CC[NH2+]CC1 ZINC000564329014 325388541 /nfs/dbraw/zinc/38/85/41/325388541.db2.gz YMORBIZHLHTXKX-UHFFFAOYSA-N 2 0 227.352 0.492 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000247448210 325591238 /nfs/dbraw/zinc/59/12/38/325591238.db2.gz YRKFLYBWUWFRMT-OUAUKWLOSA-N 2 0 225.336 0.337 20 0 BCADRP [NH3+]CCC1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000572537614 325695497 /nfs/dbraw/zinc/69/54/97/325695497.db2.gz ARKSPEGWMGOUAF-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)CCCC[NH+](C)C ZINC000554137123 325708251 /nfs/dbraw/zinc/70/82/51/325708251.db2.gz YHENBSKKLBIICM-NSHDSACASA-N 2 0 229.368 0.785 20 0 BCADRP C[C@@H](NC[C@H]([NH3+])C1CC1)[C@H]1CCCC[NH2+]1 ZINC000564827945 325813468 /nfs/dbraw/zinc/81/34/68/325813468.db2.gz BGXZBVRMJDLEMP-ADEWGFFLSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC000564835094 325814011 /nfs/dbraw/zinc/81/40/11/325814011.db2.gz UIOLPLURAXWIKU-NTZNESFSSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000564950011 325831993 /nfs/dbraw/zinc/83/19/93/325831993.db2.gz AVYITWDKRLOQIW-NAKRPEOUSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(=O)NCCF ZINC000565227022 325881212 /nfs/dbraw/zinc/88/12/12/325881212.db2.gz UEBDJXKIXUSNJT-AEJSXWLSSA-N 2 0 231.315 0.320 20 0 BCADRP [NH3+][C@@H]1CCc2ncc(NC(=O)[C@H]3CC[NH2+]3)cc2C1 ZINC000565652053 325938259 /nfs/dbraw/zinc/93/82/59/325938259.db2.gz FGJLWKPQBJOZFJ-BXKDBHETSA-N 2 0 246.314 0.198 20 0 BCADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000565658741 325939589 /nfs/dbraw/zinc/93/95/89/325939589.db2.gz QSIDNHFVPLMJLV-YPMHNXCESA-N 3 0 225.380 0.964 20 0 BCADRP C[NH2+]CC1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000565714789 325947392 /nfs/dbraw/zinc/94/73/92/325947392.db2.gz OHFIKIPELYWXRH-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N(C)CCC[NH3+] ZINC000565962102 325979849 /nfs/dbraw/zinc/97/98/49/325979849.db2.gz NMVFSJSZQFOLSN-UHFFFAOYSA-N 2 0 230.356 0.365 20 0 BCADRP C[C@H]1CN(C(=O)CCC(C)(C)[NH3+])CC[NH2+]1 ZINC000309578455 487971265 /nfs/dbraw/zinc/97/12/65/487971265.db2.gz RCZCFYOBRIAVEO-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@]1(C(=O)NCC2=CC[NH2+]CC2)CCC[NH2+]1 ZINC000566099115 325994463 /nfs/dbraw/zinc/99/44/63/325994463.db2.gz MBNKGBZOIKNMMG-LBPRGKRZSA-N 2 0 223.320 0.164 20 0 BCADRP CC(C)(C[NH3+])NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000566100598 325995085 /nfs/dbraw/zinc/99/50/85/325995085.db2.gz UBDSCLCCGIQAKG-UHFFFAOYSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000566181673 326003946 /nfs/dbraw/zinc/00/39/46/326003946.db2.gz MPKVTHHFOMKEGX-MWLCHTKSSA-N 2 0 245.392 0.277 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000566206428 326005499 /nfs/dbraw/zinc/00/54/99/326005499.db2.gz KILIKXWBTUKCNF-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+][C@H](C(=O)NCCNc1cc[nH+]cc1)C1CCC1 ZINC000566171208 326006327 /nfs/dbraw/zinc/00/63/27/326006327.db2.gz RPUJPWVGFFAFGG-LBPRGKRZSA-N 2 0 248.330 0.159 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCCC[NH3+] ZINC000566190353 326009595 /nfs/dbraw/zinc/00/95/95/326009595.db2.gz TYRLZXOOZXCAMB-JQWIXIFHSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]CCCNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000566203539 326012508 /nfs/dbraw/zinc/01/25/08/326012508.db2.gz LBDYCJCJNPNCNI-LLVKDONJSA-N 2 0 239.294 0.333 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000566203291 326012675 /nfs/dbraw/zinc/01/26/75/326012675.db2.gz DOUZGUYBIFRISI-QWRGUYRKSA-N 2 0 237.347 0.196 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000566212629 326014456 /nfs/dbraw/zinc/01/44/56/326014456.db2.gz GQAZJXPZBKRXEC-BDAKNGLRSA-N 2 0 213.325 0.215 20 0 BCADRP [NH3+]CC[C@H](NC(=O)CC[C@H]1CC[NH2+]C1)C(F)F ZINC000566211136 326014559 /nfs/dbraw/zinc/01/45/59/326014559.db2.gz DCJXQFKUXCWLGX-IUCAKERBSA-N 2 0 249.305 0.475 20 0 BCADRP [NH3+]C[C@H]1CC[C@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000566230012 326019013 /nfs/dbraw/zinc/01/90/13/326019013.db2.gz ZKKSDSITNACWSQ-RYUDHWBXSA-N 3 0 211.353 0.703 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566244522 326022965 /nfs/dbraw/zinc/02/29/65/326022965.db2.gz KYJQLWXEEUVZDD-DTORHVGOSA-N 2 0 213.325 0.167 20 0 BCADRP [NH3+]CCC1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000566406153 326038510 /nfs/dbraw/zinc/03/85/10/326038510.db2.gz IEJSKEHQHBKPDS-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000566407167 326040647 /nfs/dbraw/zinc/04/06/47/326040647.db2.gz TYCOFNCKZBHBFV-QWKFWESOSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCCCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000566551354 326063245 /nfs/dbraw/zinc/06/32/45/326063245.db2.gz SDTXZBDBVUIIOO-IJLUTSLNSA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000566614112 326068024 /nfs/dbraw/zinc/06/80/24/326068024.db2.gz LGFHTRQDOOIWCB-QJPTWQEYSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000566618255 326068402 /nfs/dbraw/zinc/06/84/02/326068402.db2.gz ALIRLAJFNNJWAS-VHSXEESVSA-N 2 0 227.352 0.489 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000566678752 326072898 /nfs/dbraw/zinc/07/28/98/326072898.db2.gz JLLMYQMDIYQLSH-QJPTWQEYSA-N 2 0 239.363 0.666 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000566716913 326076533 /nfs/dbraw/zinc/07/65/33/326076533.db2.gz PZHVXPAGQQSXCB-STQMWFEESA-N 2 0 243.395 0.183 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566739973 326078988 /nfs/dbraw/zinc/07/89/88/326078988.db2.gz LASWGRCEEFISKT-GUDRVLHUSA-N 2 0 237.347 0.323 20 0 BCADRP C[C@H](O)[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000566910881 326092887 /nfs/dbraw/zinc/09/28/87/326092887.db2.gz KTQQUADXXVAKBF-RYUDHWBXSA-N 2 0 243.395 0.371 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000566972505 326098441 /nfs/dbraw/zinc/09/84/41/326098441.db2.gz FPXURFZDSHUOCJ-WAAKLRNESA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1C[C@H](NC[C@H](O)C[NH+](C)C)C[N@@H+]1C1CC1 ZINC000154353757 326140736 /nfs/dbraw/zinc/14/07/36/326140736.db2.gz PGVYGTSNTFPTHN-MDZLAQPJSA-N 2 0 241.379 0.124 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000154395249 326142342 /nfs/dbraw/zinc/14/23/42/326142342.db2.gz MHTHWBFCLHVDAV-GHMZBOCLSA-N 2 0 227.352 0.620 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000154395349 326142446 /nfs/dbraw/zinc/14/24/46/326142446.db2.gz MHTHWBFCLHVDAV-QWRGUYRKSA-N 2 0 227.352 0.620 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000154396871 326142662 /nfs/dbraw/zinc/14/26/62/326142662.db2.gz WZCKWVKGGRPNCP-MXWKQRLJSA-N 2 0 227.352 0.713 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000567267324 326151808 /nfs/dbraw/zinc/15/18/08/326151808.db2.gz ZVWZLMNJXMNBPC-LPEHRKFASA-N 2 0 230.356 0.267 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000567268874 326152854 /nfs/dbraw/zinc/15/28/54/326152854.db2.gz VGJNMPNQNRRYCD-UMNHJUIQSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000567268869 326153883 /nfs/dbraw/zinc/15/38/83/326153883.db2.gz VGJNMPNQNRRYCD-FOGDFJRCSA-N 2 0 225.336 0.230 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000309784626 326168112 /nfs/dbraw/zinc/16/81/12/326168112.db2.gz NSFLIWUGFWMTEB-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP CSC[C@@H](O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000567378087 326179028 /nfs/dbraw/zinc/17/90/28/326179028.db2.gz OPDXFIPZHYGSTJ-ZJUUUORDSA-N 2 0 220.382 0.640 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000567383453 326180106 /nfs/dbraw/zinc/18/01/06/326180106.db2.gz AGXPSBIKCDBZMN-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@]1(C(=O)NCCC[C@@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000567454669 326195958 /nfs/dbraw/zinc/19/59/58/326195958.db2.gz RLEJZYWLAORCMV-AAEUAGOBSA-N 2 0 239.363 0.777 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000567469985 326199310 /nfs/dbraw/zinc/19/93/10/326199310.db2.gz FLQDJYCHFJCABG-DCAQKATOSA-N 2 0 227.352 0.603 20 0 BCADRP C[NH2+]CCC1CC[NH+](C[C@@](C)(O)C[NH2+]C)CC1 ZINC000567478545 326200533 /nfs/dbraw/zinc/20/05/33/326200533.db2.gz YEDXCHFBFQEJRF-ZDUSSCGKSA-N 3 0 243.395 0.278 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000567586999 326223564 /nfs/dbraw/zinc/22/35/64/326223564.db2.gz PZWXMYMATYULCO-NWDGAFQWSA-N 2 0 233.315 0.540 20 0 BCADRP C[C@@H](CCC1CC1)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000567638994 326236125 /nfs/dbraw/zinc/23/61/25/326236125.db2.gz GANPMDQUFLXXED-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]CC1(CC(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000567668422 326241904 /nfs/dbraw/zinc/24/19/04/326241904.db2.gz OHLCMVRERJXEJR-SNVBAGLBSA-N 2 0 225.336 0.374 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000567673232 326242890 /nfs/dbraw/zinc/24/28/90/326242890.db2.gz HVZWPIKUBGHEHQ-RKDXNWHRSA-N 2 0 211.309 0.111 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000567715075 326250338 /nfs/dbraw/zinc/25/03/38/326250338.db2.gz JJFDHEZJMJFNGH-VWYCJHECSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@H]1CC[C@@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000567724010 326251617 /nfs/dbraw/zinc/25/16/17/326251617.db2.gz PYAOEHVNVSPHAM-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH+](C)CCN(C(=O)C[C@H]1CCC[NH2+]1)C1CC1 ZINC000567731876 326252731 /nfs/dbraw/zinc/25/27/31/326252731.db2.gz BFDOXZHGNUGCIX-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]CCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000567834930 326266592 /nfs/dbraw/zinc/26/65/92/326266592.db2.gz UNADWHKOEJGYFT-UWVGGRQHSA-N 2 0 213.325 0.230 20 0 BCADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000567815315 326261940 /nfs/dbraw/zinc/26/19/40/326261940.db2.gz RFHVKGNABFNNHX-FPMFFAJLSA-N 2 0 249.358 0.198 20 0 BCADRP [NH3+]C1(CNC(=O)CC2CC[NH2+]CC2)CCC1 ZINC000567815026 326261943 /nfs/dbraw/zinc/26/19/43/326261943.db2.gz SGRWXEZSNJYNLG-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000567814854 326261948 /nfs/dbraw/zinc/26/19/48/326261948.db2.gz GLEJUOQFWKUOGI-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000567820102 326263153 /nfs/dbraw/zinc/26/31/53/326263153.db2.gz FWCFRZOSSFQZJS-AXFHLTTASA-N 2 0 242.367 0.506 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000567823646 326263926 /nfs/dbraw/zinc/26/39/26/326263926.db2.gz FUAWMRCXBXJVJO-GHMZBOCLSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000567831044 326265722 /nfs/dbraw/zinc/26/57/22/326265722.db2.gz ISQQRBQZWDHNBR-DLOVCJGASA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000567834828 326266782 /nfs/dbraw/zinc/26/67/82/326266782.db2.gz IECBNXRZCJOYAF-AXFHLTTASA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H](C[NH3+])NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000567839422 326267951 /nfs/dbraw/zinc/26/79/51/326267951.db2.gz WUDMNIVVMQXKLM-SNVBAGLBSA-N 2 0 235.331 0.825 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NCC[NH2+]C(C)(C)C ZINC000157349760 326269643 /nfs/dbraw/zinc/26/96/43/326269643.db2.gz MGWREXRNPUVUCP-SECBINFHSA-N 2 0 247.408 0.571 20 0 BCADRP C[NH2+]CC1CC[NH+](CC2(C[NH3+])CC2)CC1 ZINC000567865179 326273364 /nfs/dbraw/zinc/27/33/64/326273364.db2.gz JSSWBHOTASIUTL-UHFFFAOYSA-N 3 0 211.353 0.657 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000567883428 326276271 /nfs/dbraw/zinc/27/62/71/326276271.db2.gz VAJBBXUWFUTLIF-NSHDSACASA-N 2 0 241.379 0.819 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCC[NH2+]C1CC1 ZINC000567922837 326280687 /nfs/dbraw/zinc/28/06/87/326280687.db2.gz QZQDJVQGGJBBPR-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@H](C(=O)NC1CC[NH+](CC)CC1)[NH+](C)C ZINC000157804659 326296594 /nfs/dbraw/zinc/29/65/94/326296594.db2.gz DEQYGJWBTGZVNG-GFCCVEGCSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@@H](C)C[N@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000568050901 326300067 /nfs/dbraw/zinc/30/00/67/326300067.db2.gz MQIQICZAOQIRCG-MNOVXSKESA-N 2 0 202.342 0.935 20 0 BCADRP C[NH2+]CCCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000568052070 326301260 /nfs/dbraw/zinc/30/12/60/326301260.db2.gz LSEAGJYFAIPTDF-UHFFFAOYSA-N 2 0 242.367 0.366 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000568110102 326309594 /nfs/dbraw/zinc/30/95/94/326309594.db2.gz IBHFMAMBDIOROL-JTQLQIEISA-N 2 0 228.340 0.036 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000568150581 326312661 /nfs/dbraw/zinc/31/26/61/326312661.db2.gz NCJLOUNYPYNIBA-XSRFYTQQSA-N 2 0 239.363 0.844 20 0 BCADRP C[NH2+][C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000568230922 326330187 /nfs/dbraw/zinc/33/01/87/326330187.db2.gz IEXJYYQEUDTFTR-QMMMGPOBSA-N 2 0 207.277 0.692 20 0 BCADRP C[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000568234098 326330978 /nfs/dbraw/zinc/33/09/78/326330978.db2.gz DZWRBJNDEHLLSA-GHMZBOCLSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000568234100 326330986 /nfs/dbraw/zinc/33/09/86/326330986.db2.gz DZWRBJNDEHLLSA-QWRGUYRKSA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+]CC1(NC(=O)CC[NH2+]C2CC2)CCCC1 ZINC000568235728 326331419 /nfs/dbraw/zinc/33/14/19/326331419.db2.gz XVTCBYNYJACWLC-UHFFFAOYSA-N 2 0 225.336 0.516 20 0 BCADRP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H]1C(C)C ZINC000568247394 326333826 /nfs/dbraw/zinc/33/38/26/326333826.db2.gz LFZAKRYMXPCFKF-QWHCGFSZSA-N 2 0 244.379 0.656 20 0 BCADRP C[N@@H+]1CCC[C@@H](CCNC2=[NH+]CCCN2)C1 ZINC000568256303 326336052 /nfs/dbraw/zinc/33/60/52/326336052.db2.gz LSRPGGHVVCFSKR-NSHDSACASA-N 2 0 224.352 0.657 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000568508467 326360904 /nfs/dbraw/zinc/36/09/04/326360904.db2.gz FUZZTWIAOODJBG-LBPRGKRZSA-N 2 0 231.299 0.463 20 0 BCADRP CC(C)([NH3+])c1noc(CN2CCC[C@@H]2C[NH3+])n1 ZINC000568512090 326361335 /nfs/dbraw/zinc/36/13/35/326361335.db2.gz DFYQKGJKLZUXPP-MRVPVSSYSA-N 2 0 239.323 0.187 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000568510540 326361377 /nfs/dbraw/zinc/36/13/77/326361377.db2.gz RAPBUKBDJMABEU-JFGNBEQYSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000568626408 326368517 /nfs/dbraw/zinc/36/85/17/326368517.db2.gz DWIJEAHHIXUNPJ-ZWNOBZJWSA-N 2 0 247.342 0.584 20 0 BCADRP CC[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000568664028 326371736 /nfs/dbraw/zinc/37/17/36/326371736.db2.gz IBSKZGFHKGMNHI-NSHDSACASA-N 2 0 240.351 0.132 20 0 BCADRP CN(C(=O)c1ccc(C[NH3+])cc1)C1CC[NH2+]CC1 ZINC000568745999 326374512 /nfs/dbraw/zinc/37/45/12/326374512.db2.gz BBVRLCJKHMTPPK-UHFFFAOYSA-N 2 0 247.342 0.969 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000568760770 326375562 /nfs/dbraw/zinc/37/55/62/326375562.db2.gz BCUHXDJNNLQXNG-MMWGEVLESA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H]1CCC[NH2+]C1)[C@@H](C)[NH3+] ZINC000568870771 326380461 /nfs/dbraw/zinc/38/04/61/326380461.db2.gz QGHVIERDMMQVGY-UTUOFQBUSA-N 2 0 241.379 0.722 20 0 BCADRP CC(C)([NH3+])CN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000569003673 326386378 /nfs/dbraw/zinc/38/63/78/326386378.db2.gz SRGBFGUWOLTOMN-LLVKDONJSA-N 2 0 241.379 0.411 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000569215335 326394932 /nfs/dbraw/zinc/39/49/32/326394932.db2.gz YNBWVSPRYXBFAZ-MXWKQRLJSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000569215333 326395462 /nfs/dbraw/zinc/39/54/62/326395462.db2.gz YNBWVSPRYXBFAZ-GMTAPVOTSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000569230401 326395481 /nfs/dbraw/zinc/39/54/81/326395481.db2.gz WNBNJEXCSGXQDN-BJDJZHNGSA-N 2 0 241.379 0.768 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000569229512 326396338 /nfs/dbraw/zinc/39/63/38/326396338.db2.gz WHGYRRNKTXSLIT-UNXYVOJBSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000572876666 326416458 /nfs/dbraw/zinc/41/64/58/326416458.db2.gz RJEZYMBEUTWLPT-SNVBAGLBSA-N 2 0 221.304 0.540 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000572877519 326416463 /nfs/dbraw/zinc/41/64/63/326416463.db2.gz GBOPGJZWPRLBAG-GHMZBOCLSA-N 2 0 227.352 0.300 20 0 BCADRP CN(C(=O)CC[C@@H]1CC[NH2+]C1)C1CC([NH3+])C1 ZINC000572878517 326416606 /nfs/dbraw/zinc/41/66/06/326416606.db2.gz MRXRSQGRANCARW-KPPDAEKUSA-N 2 0 225.336 0.324 20 0 BCADRP CC[NH2+]CCCNC(=O)c1coc(C[NH3+])c1 ZINC000572959590 326421011 /nfs/dbraw/zinc/42/10/11/326421011.db2.gz YOIYFUVLHPEMIE-UHFFFAOYSA-N 2 0 225.292 0.468 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000573245998 326437623 /nfs/dbraw/zinc/43/76/23/326437623.db2.gz JLMBNHLMLRJQSI-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCN(C)C(=O)NCC1([NH+](C)C)CCC1 ZINC000418064688 487973307 /nfs/dbraw/zinc/97/33/07/487973307.db2.gz UQTRMWVIJAYDBA-UHFFFAOYSA-N 2 0 242.367 0.332 20 0 BCADRP C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000147209586 487977844 /nfs/dbraw/zinc/97/78/44/487977844.db2.gz DPQLNXZJVZMSLR-UHFFFAOYSA-N 2 0 234.347 0.813 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC1CCC([NH3+])CC1 ZINC000165414739 487979107 /nfs/dbraw/zinc/97/91/07/487979107.db2.gz RGQCVUXESVUJPX-DKEVHCRPSA-N 2 0 213.325 0.356 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000446402789 487980121 /nfs/dbraw/zinc/98/01/21/487980121.db2.gz NGVPZNSMJYFIFJ-KXUCPTDWSA-N 2 0 227.352 0.746 20 0 BCADRP C[NH2+]CCN(C)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000418204989 487982743 /nfs/dbraw/zinc/98/27/43/487982743.db2.gz YILWSSTTXWGHHM-NSHDSACASA-N 2 0 244.383 0.576 20 0 BCADRP [NH3+]C1CCC(NC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000134555205 487989998 /nfs/dbraw/zinc/98/99/98/487989998.db2.gz YQIGWXJZIOTPFS-UNXYVOJBSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000248835795 487990766 /nfs/dbraw/zinc/99/07/66/487990766.db2.gz CWWZNPGDVMBVBK-AXFHLTTASA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H](NC(=O)C[C@H](C)[NH3+])C1CC[NH+](C)CC1 ZINC000396431236 488006092 /nfs/dbraw/zinc/00/60/92/488006092.db2.gz GCGCGQVRAJQZEP-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC[NH2+]1 ZINC000195260370 488012102 /nfs/dbraw/zinc/01/21/02/488012102.db2.gz BZZZLQPANUBWTK-NTZNESFSSA-N 2 0 237.347 0.196 20 0 BCADRP CC[C@@H]1CN(CC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000147436626 488023487 /nfs/dbraw/zinc/02/34/87/488023487.db2.gz XSWUYOAFIQPLHK-KOLCDFICSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@H]1CN(CC(=O)N2CCCC2)CC[C@@H]1[NH3+] ZINC000147484588 488028230 /nfs/dbraw/zinc/02/82/30/488028230.db2.gz CBKCRSIISMFUFC-RYUDHWBXSA-N 2 0 239.363 0.668 20 0 BCADRP Cc1cnn(CC[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000235935538 488031415 /nfs/dbraw/zinc/03/14/15/488031415.db2.gz DYSSSPHVCMFECE-NSHDSACASA-N 2 0 208.309 0.472 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655442757 488033077 /nfs/dbraw/zinc/03/30/77/488033077.db2.gz ZTTRCSHATAXMQL-AAEUAGOBSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655442760 488033313 /nfs/dbraw/zinc/03/33/13/488033313.db2.gz ZTTRCSHATAXMQL-YPMHNXCESA-N 2 0 239.363 0.444 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@]1(C)CCO[C@H]1C ZINC000310499355 488033764 /nfs/dbraw/zinc/03/37/64/488033764.db2.gz HMXQXMLUZWTKMO-YNEHKIRRSA-N 2 0 244.379 0.845 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000084183859 488034717 /nfs/dbraw/zinc/03/47/17/488034717.db2.gz SJEFYVJJDVENGM-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000084183857 488035056 /nfs/dbraw/zinc/03/50/56/488035056.db2.gz SJEFYVJJDVENGM-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)CC[NH2+]C2CC2)C1 ZINC000655449078 488037768 /nfs/dbraw/zinc/03/77/68/488037768.db2.gz JAKNUPWMKQUOGS-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C[C@]12C[C@H]1C[NH2+]C2 ZINC000663492564 488042660 /nfs/dbraw/zinc/04/26/60/488042660.db2.gz ABSHWOMDTQWGIL-RWMBFGLXSA-N 2 0 223.364 0.799 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663492553 488042406 /nfs/dbraw/zinc/04/24/06/488042406.db2.gz ABSHWOMDTQWGIL-AGIUHOORSA-N 2 0 223.364 0.799 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655451133 488046351 /nfs/dbraw/zinc/04/63/51/488046351.db2.gz CSXMHAKWENVOAP-FOGDFJRCSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@]1(CNC[C@]23C[C@H]2C[NH2+]C3)CCC[NH2+]C1 ZINC000663499902 488048407 /nfs/dbraw/zinc/04/84/07/488048407.db2.gz WXLGVXIGSAFDSH-RWMBFGLXSA-N 2 0 223.364 0.575 20 0 BCADRP CC(C)([NH3+])CN1CC[C@@H](CN2CCCC2=O)C1 ZINC000663499946 488049532 /nfs/dbraw/zinc/04/95/32/488049532.db2.gz HACKMMNQUCMESZ-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000084419905 488051760 /nfs/dbraw/zinc/05/17/60/488051760.db2.gz OYMCVKWTWLDIBY-NEPJUHHUSA-N 2 0 227.352 0.001 20 0 BCADRP [NH3+]CCCNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000669490835 488053023 /nfs/dbraw/zinc/05/30/23/488053023.db2.gz AZUXYDYGWZMBBE-NSHDSACASA-N 2 0 240.351 0.119 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000389167117 488079446 /nfs/dbraw/zinc/07/94/46/488079446.db2.gz MVAYYJVBIVHZSE-VWYCJHECSA-N 2 0 227.352 0.570 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)CC(C)(C)[NH3+] ZINC000236711127 488082859 /nfs/dbraw/zinc/08/28/59/488082859.db2.gz VIYPWTQOJANUET-UHFFFAOYSA-N 2 0 229.368 0.962 20 0 BCADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000226378599 488084881 /nfs/dbraw/zinc/08/48/81/488084881.db2.gz JWLCDKKTDYOORW-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000257725142 488085292 /nfs/dbraw/zinc/08/52/92/488085292.db2.gz UFRIXOUISSHKGJ-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257743552 488087433 /nfs/dbraw/zinc/08/74/33/488087433.db2.gz ZHPCHZRGAJRFTB-QWHCGFSZSA-N 2 0 223.364 0.671 20 0 BCADRP CCCN1CC[C@@H]([NH2+][C@@H](CCC[NH3+])COC)C1 ZINC000389307180 488087747 /nfs/dbraw/zinc/08/77/47/488087747.db2.gz FNHZRBSBOPGYRN-OLZOCXBDSA-N 2 0 243.395 0.814 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257743555 488088161 /nfs/dbraw/zinc/08/81/61/488088161.db2.gz ZHPCHZRGAJRFTB-STQMWFEESA-N 2 0 223.364 0.671 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000389434567 488096134 /nfs/dbraw/zinc/09/61/34/488096134.db2.gz ZMGAWGQPKAKBNF-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000389437367 488096407 /nfs/dbraw/zinc/09/64/07/488096407.db2.gz MXLRDVYYPUVTHL-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000389442420 488096761 /nfs/dbraw/zinc/09/67/61/488096761.db2.gz OFEFDNIUMULFMV-NSHDSACASA-N 2 0 225.336 0.339 20 0 BCADRP Cc1ncc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)n1C ZINC000667712353 488097611 /nfs/dbraw/zinc/09/76/11/488097611.db2.gz DBGSRTUPBBUJOB-QWRGUYRKSA-N 2 0 220.320 0.380 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)CC(C)(C)[NH3+] ZINC000237070279 488100875 /nfs/dbraw/zinc/10/08/75/488100875.db2.gz NIDKCQSIWBIRNA-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])[C@H](C)CC)C1 ZINC000389568956 488102224 /nfs/dbraw/zinc/10/22/24/488102224.db2.gz AGSMDHWRIWUOCL-WOPDTQHZSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000378790219 488104504 /nfs/dbraw/zinc/10/45/04/488104504.db2.gz NDDCLRNVKIQEFN-VHSXEESVSA-N 2 0 213.325 0.180 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000389683578 488105693 /nfs/dbraw/zinc/10/56/93/488105693.db2.gz YIXOTYYBXCSNGF-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000389690326 488105906 /nfs/dbraw/zinc/10/59/06/488105906.db2.gz ZUSIGONXOHUYAW-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000237164991 488106310 /nfs/dbraw/zinc/10/63/10/488106310.db2.gz UYOJETGAFCURLN-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000092951142 488106355 /nfs/dbraw/zinc/10/63/55/488106355.db2.gz ZIFNHEGONCVPEO-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000084856365 488108116 /nfs/dbraw/zinc/10/81/16/488108116.db2.gz MWUQYQUTDPHSBF-MXWKQRLJSA-N 2 0 225.336 0.182 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000389730810 488109539 /nfs/dbraw/zinc/10/95/39/488109539.db2.gz JQUFVOXHZGERBL-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP COC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)C1CC1 ZINC000397316371 488110356 /nfs/dbraw/zinc/11/03/56/488110356.db2.gz LGYPPPUGPURIIQ-STQMWFEESA-N 2 0 244.379 0.702 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000669510403 488112246 /nfs/dbraw/zinc/11/22/46/488112246.db2.gz ZTXTXVHJKSQUIT-YPMHNXCESA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[NH2+]C2CC2)C1 ZINC000669510340 488112563 /nfs/dbraw/zinc/11/25/63/488112563.db2.gz LJFOOLMSWJCTDY-KOLCDFICSA-N 2 0 225.336 0.243 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)NCC[NH2+]C2CC2)cc1 ZINC000669510367 488112572 /nfs/dbraw/zinc/11/25/72/488112572.db2.gz RWBHIQJFDUKVGG-ZDUSSCGKSA-N 2 0 247.342 0.863 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000669510373 488112641 /nfs/dbraw/zinc/11/26/41/488112641.db2.gz UAYLAHRWBKQHQK-GHMZBOCLSA-N 2 0 225.336 0.243 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000669510453 488112667 /nfs/dbraw/zinc/11/26/67/488112667.db2.gz LSBQSZRYILNZGJ-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH2+]C(C)C)C1 ZINC000389815010 488113249 /nfs/dbraw/zinc/11/32/49/488113249.db2.gz RQPSTXXNBCIKRV-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C)CCC[NH3+] ZINC000669512021 488116937 /nfs/dbraw/zinc/11/69/37/488116937.db2.gz SEAQOBKYKJZHKF-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000669511854 488117251 /nfs/dbraw/zinc/11/72/51/488117251.db2.gz JULLOQHPWISJOF-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H]([NH3+])CC(C)C ZINC000669512477 488119013 /nfs/dbraw/zinc/11/90/13/488119013.db2.gz FHSQILOCPJDZMM-SNVBAGLBSA-N 2 0 229.368 0.994 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)NC[C@H](C)[NH3+] ZINC000669512474 488118696 /nfs/dbraw/zinc/11/86/96/488118696.db2.gz DHPLEJFAYHXRGK-JTQLQIEISA-N 2 0 230.356 0.365 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)CC1([NH3+])CCC1 ZINC000669513521 488121726 /nfs/dbraw/zinc/12/17/26/488121726.db2.gz AZYCXQDWWRCADC-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)CC(C)(C)[NH3+] ZINC000669513572 488121565 /nfs/dbraw/zinc/12/15/65/488121565.db2.gz MCUSUBHASFSHMS-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@]1(CNC(=O)CC2([NH3+])CCC2)CCC[NH2+]C1 ZINC000669513835 488122499 /nfs/dbraw/zinc/12/24/99/488122499.db2.gz UBJVMKWYMNHDMT-GFCCVEGCSA-N 2 0 239.363 0.764 20 0 BCADRP O=C1CC[C@@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)CC[C@@H]2N1 ZINC000160335797 488122855 /nfs/dbraw/zinc/12/28/55/488122855.db2.gz XXXZBBWWRRQJPX-UTUOFQBUSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000669514686 488123941 /nfs/dbraw/zinc/12/39/41/488123941.db2.gz ZVIDQKRIHANLEJ-GRYCIOLGSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000669514479 488124281 /nfs/dbraw/zinc/12/42/81/488124281.db2.gz GSEDTRCTMMLUKR-GFCCVEGCSA-N 2 0 241.379 0.831 20 0 BCADRP O=C([C@H]1CCCC[NH2+]1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669515871 488125838 /nfs/dbraw/zinc/12/58/38/488125838.db2.gz HWLGOJFLKYKOFL-IJLUTSLNSA-N 2 0 237.347 0.339 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(C)C)CC[C@H]1[NH3+] ZINC000669516053 488126117 /nfs/dbraw/zinc/12/61/17/488126117.db2.gz PQWOCJKUDJZEPT-UTUOFQBUSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)CC2([NH3+])CCC2)[C@H]1C ZINC000669516822 488126996 /nfs/dbraw/zinc/12/69/96/488126996.db2.gz HCNVSAIQWJHPDO-UWVGGRQHSA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000669517949 488128658 /nfs/dbraw/zinc/12/86/58/488128658.db2.gz ZXVXHHVYIKTQAF-VXGBXAGGSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000669517718 488129506 /nfs/dbraw/zinc/12/95/06/488129506.db2.gz DOMHEOOLWZUWBM-SMDDNHRTSA-N 2 0 247.342 0.381 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CC(C)(C)[NH3+] ZINC000669518640 488130423 /nfs/dbraw/zinc/13/04/23/488130423.db2.gz XCBPNDMZBTXYPL-KKZNHRDASA-N 2 0 227.352 0.617 20 0 BCADRP COC[C@H](C[NH2+][C@H]1CC[NH2+]CC1(C)C)OC ZINC000300857412 487541496 /nfs/dbraw/zinc/54/14/96/487541496.db2.gz OQLKUTLQPMHSOR-QWRGUYRKSA-N 2 0 230.352 0.626 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000674288565 487544274 /nfs/dbraw/zinc/54/42/74/487544274.db2.gz GHEKWEWLIBUUKE-VWYCJHECSA-N 2 0 227.352 0.535 20 0 BCADRP C[C@H]1CCC[N@H+](CCC[NH3+])[C@H]1CCO ZINC000662302277 487546260 /nfs/dbraw/zinc/54/62/60/487546260.db2.gz LRNALSWOWCSAHE-QWRGUYRKSA-N 2 0 200.326 0.818 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+](C)C)C1 ZINC000674286836 487547390 /nfs/dbraw/zinc/54/73/90/487547390.db2.gz BXJZBGSUGMSTEE-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NC[C@H]2CCCC[NH2+]2)o1 ZINC000237916744 487533634 /nfs/dbraw/zinc/53/36/34/487533634.db2.gz KKRWAIDRRIEUGR-SECBINFHSA-N 2 0 237.303 0.610 20 0 BCADRP CC(C)=CCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000662238851 487471911 /nfs/dbraw/zinc/47/19/11/487471911.db2.gz YSWACFSOERUPIG-UHFFFAOYSA-N 2 0 239.363 0.706 20 0 BCADRP CC[C@@H]1CN(C(=O)CC[NH2+]C2CC2)CC[C@H]1[NH3+] ZINC000655458612 487472231 /nfs/dbraw/zinc/47/22/31/487472231.db2.gz SGZNPOYVNFILIE-ZYHUDNBSSA-N 2 0 239.363 0.714 20 0 BCADRP c1cnc2c(n1)CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000662229025 487473420 /nfs/dbraw/zinc/47/34/20/487473420.db2.gz FHUAGEKYEQYNRH-UHFFFAOYSA-N 2 0 232.331 0.834 20 0 BCADRP C[C@H](CNC(=O)CC(C)(C)[NH3+])[NH+]1CCCC1 ZINC000161047489 487473720 /nfs/dbraw/zinc/47/37/20/487473720.db2.gz GBWIXMDBFILIKU-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000237460836 487473807 /nfs/dbraw/zinc/47/38/07/487473807.db2.gz PQQQCZKPCQJRFK-VHSXEESVSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000161059102 487474988 /nfs/dbraw/zinc/47/49/88/487474988.db2.gz POXLCETXECKHNO-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]([NH3+])CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000249102292 487481315 /nfs/dbraw/zinc/48/13/15/487481315.db2.gz OEFLTDOBOVHXTG-DCAQKATOSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061645170 487477043 /nfs/dbraw/zinc/47/70/43/487477043.db2.gz QLIZCAIAOHDDQW-NSHDSACASA-N 2 0 227.352 0.537 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000653275184 487491255 /nfs/dbraw/zinc/49/12/55/487491255.db2.gz YNLJDIRTTFVDDC-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@@H](C(=O)NC[C@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000237611469 487492751 /nfs/dbraw/zinc/49/27/51/487492751.db2.gz MOAZCHKJLDAXSW-JQWIXIFHSA-N 2 0 235.331 0.753 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)C1 ZINC000086404425 487500967 /nfs/dbraw/zinc/50/09/67/487500967.db2.gz IMMZTIHIOJACTC-BBBLOLIVSA-N 2 0 211.309 0.125 20 0 BCADRP C[N@H+](CCOCC[NH3+])Cc1ccccn1 ZINC000086435402 487507035 /nfs/dbraw/zinc/50/70/35/487507035.db2.gz CUJGDUNUCMQNOU-UHFFFAOYSA-N 2 0 209.293 0.489 20 0 BCADRP CN(C[C@H](O)C[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000381218773 487502214 /nfs/dbraw/zinc/50/22/14/487502214.db2.gz GLGXJLWKFZJKBW-NEPJUHHUSA-N 2 0 228.336 0.210 20 0 BCADRP C[NH+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000381568058 487512787 /nfs/dbraw/zinc/51/27/87/487512787.db2.gz UITXLANFYZWAIQ-JQWIXIFHSA-N 2 0 225.336 0.135 20 0 BCADRP COC[C@@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)OC ZINC000662273450 487521560 /nfs/dbraw/zinc/52/15/60/487521560.db2.gz MQRDAUSPGXTJKT-FRRDWIJNSA-N 2 0 242.363 0.579 20 0 BCADRP C[NH+](C)C1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000094293608 487525330 /nfs/dbraw/zinc/52/53/30/487525330.db2.gz GBKRAKHRWSRQIZ-UHFFFAOYSA-N 2 0 239.363 0.811 20 0 BCADRP CC[NH+]1CCC(NC(=O)CC2([NH3+])CCC2)CC1 ZINC000094294817 487526428 /nfs/dbraw/zinc/52/64/28/487526428.db2.gz PNZXDHNTNJIGHK-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000669521084 488150228 /nfs/dbraw/zinc/15/02/28/488150228.db2.gz RCIFTLHOFOFOLI-JTQLQIEISA-N 2 0 227.352 0.748 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[NH+](C)C ZINC000674246316 487526865 /nfs/dbraw/zinc/52/68/65/487526865.db2.gz IZSGPIXOEIMBKT-JQWIXIFHSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1CCN(C(=O)CC(C)(C)[NH3+])C[C@H]1C[NH3+] ZINC000669521462 488152866 /nfs/dbraw/zinc/15/28/66/488152866.db2.gz OTIUVNAXRRZRBC-NXEZZACHSA-N 2 0 227.352 0.557 20 0 BCADRP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCC1 ZINC000662256676 490041854 /nfs/dbraw/zinc/04/18/54/490041854.db2.gz XXJOUNGSPKIBLI-NSHDSACASA-N 2 0 210.321 0.992 20 0 BCADRP C[NH+](C)C1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000677943012 488162105 /nfs/dbraw/zinc/16/21/05/488162105.db2.gz WDKMKCSXBVVYFF-LLVKDONJSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000390554835 488166047 /nfs/dbraw/zinc/16/60/47/488166047.db2.gz PZACQFIYVQIGGJ-GUBZILKMSA-N 2 0 213.325 0.452 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000146448293 487674994 /nfs/dbraw/zinc/67/49/94/487674994.db2.gz AQHYBXCFCXZLLC-JTQLQIEISA-N 2 0 213.325 0.006 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000154747893 487725981 /nfs/dbraw/zinc/72/59/81/487725981.db2.gz GQHCBSOFDBOUIS-VHSXEESVSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@H]([NH3+])CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000669463796 487907990 /nfs/dbraw/zinc/90/79/90/487907990.db2.gz WSBDREHIIYYCRA-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)COCC[NH3+] ZINC000093231662 487909067 /nfs/dbraw/zinc/90/90/67/487909067.db2.gz UEYXQRWARUHEEO-UHFFFAOYSA-N 2 0 245.367 0.008 20 0 BCADRP CC(=O)N[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000396627617 487989234 /nfs/dbraw/zinc/98/92/34/487989234.db2.gz CKWZFCNEUXOYEZ-NEPJUHHUSA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000258579484 488123335 /nfs/dbraw/zinc/12/33/35/488123335.db2.gz PUQBFPLSUUPFIO-GHMZBOCLSA-N 2 0 240.351 0.132 20 0 BCADRP COC[C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657573121 488137091 /nfs/dbraw/zinc/13/70/91/488137091.db2.gz JVXDQPSVQVPGGN-STQMWFEESA-N 2 0 245.411 0.883 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H](C)C1 ZINC000379446571 488137092 /nfs/dbraw/zinc/13/70/92/488137092.db2.gz XSPOOWFQSPHWEG-NWDGAFQWSA-N 2 0 246.420 0.984 20 0 BCADRP O[C@@H](C[NH2+]C[C@H]1CC[C@@H](O)C1)C[NH+]1CCCC1 ZINC000227689531 488138598 /nfs/dbraw/zinc/13/85/98/488138598.db2.gz DMRLJKQTDKEFHC-XQQFMLRXSA-N 2 0 242.363 0.194 20 0 BCADRP CN(C[C@H]1CC[NH2+]C1)C[C@H]1CCC[N@H+](C)C1 ZINC000259031285 488147860 /nfs/dbraw/zinc/14/78/60/488147860.db2.gz ZQWAMEQOZKOCPA-STQMWFEESA-N 2 0 225.380 0.870 20 0 BCADRP Cn1nccc1CC[NH+]1CCC(C[NH3+])CC1 ZINC000230749865 488151691 /nfs/dbraw/zinc/15/16/91/488151691.db2.gz UGOAKXBBGNJDEM-UHFFFAOYSA-N 2 0 222.336 0.633 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCOCCO)C1 ZINC000230782874 488158106 /nfs/dbraw/zinc/15/81/06/488158106.db2.gz BLQDZJXHTVUIQV-WDEREUQCSA-N 2 0 216.325 0.245 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000085373189 488164149 /nfs/dbraw/zinc/16/41/49/488164149.db2.gz SMTAXUYYPZLQFP-ADEWGFFLSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CC(C)(C)[NH3+] ZINC000390557816 488166300 /nfs/dbraw/zinc/16/63/00/488166300.db2.gz QZSXRSMEQWAWBH-IUCAKERBSA-N 2 0 213.325 0.452 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000040673741 488168163 /nfs/dbraw/zinc/16/81/63/488168163.db2.gz KZCLDQFRMIIBEI-NSHDSACASA-N 2 0 225.336 0.339 20 0 BCADRP CC[C@@H](C)[N@H+](CCO)C[C@@H](O)C[NH+](C)C(C)C ZINC000380016250 488168358 /nfs/dbraw/zinc/16/83/58/488168358.db2.gz LVECXPSMTVOWPE-OLZOCXBDSA-N 2 0 246.395 0.780 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000230948484 488173886 /nfs/dbraw/zinc/17/38/86/488173886.db2.gz NYLCQAUHIAQXSK-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@]([NH3+])(C(=O)NCC[NH2+]C1CC1)c1ccccc1 ZINC000195232084 488174685 /nfs/dbraw/zinc/17/46/85/488174685.db2.gz NSKUGQGBIWRGIO-AWEZNQCLSA-N 2 0 247.342 0.729 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404902986 488183584 /nfs/dbraw/zinc/18/35/84/488183584.db2.gz XLMFWEPVVSOEBZ-LBPRGKRZSA-N 2 0 241.379 0.927 20 0 BCADRP O=C(NCCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000167737055 488186347 /nfs/dbraw/zinc/18/63/47/488186347.db2.gz VBSZWYVBWJFFDH-NSHDSACASA-N 2 0 225.336 0.244 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C[NH2+]C(C)C ZINC000041680166 488192068 /nfs/dbraw/zinc/19/20/68/488192068.db2.gz ONIYLEPTZJYJHG-NSHDSACASA-N 2 0 229.368 0.831 20 0 BCADRP CNC(=O)[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000299963135 488195523 /nfs/dbraw/zinc/19/55/23/488195523.db2.gz VJDFQPGMRPFVAZ-QWRGUYRKSA-N 2 0 225.336 0.054 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000054072511 488205455 /nfs/dbraw/zinc/20/54/55/488205455.db2.gz AUFBKKUAFPGMEF-VIFPVBQESA-N 2 0 213.325 0.147 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000398074741 488206932 /nfs/dbraw/zinc/20/69/32/488206932.db2.gz BCVHHUDZEBHCAG-SNVBAGLBSA-N 2 0 225.336 0.420 20 0 BCADRP CCc1nn(C)c(CC)c1C[NH2+]CCC[NH3+] ZINC000437771872 488208314 /nfs/dbraw/zinc/20/83/14/488208314.db2.gz HVNVDUHQCOIPNH-UHFFFAOYSA-N 2 0 224.352 0.983 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)CC1([NH3+])CC1 ZINC000398083201 488208819 /nfs/dbraw/zinc/20/88/19/488208819.db2.gz KZVUMKAETFVZGJ-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH2+]C1CC1 ZINC000037611998 488247710 /nfs/dbraw/zinc/24/77/10/488247710.db2.gz IWIZNMQYVKAHBV-LBPRGKRZSA-N 2 0 239.363 0.729 20 0 BCADRP c1cc2n(n1)C[C@H](C[NH+]1C[C@@H]3C[NH2+]C[C@H]3C1)CN2 ZINC000684202699 488276207 /nfs/dbraw/zinc/27/62/07/488276207.db2.gz XUKIOGYQOKAFRY-SRVKXCTJSA-N 2 0 247.346 0.076 20 0 BCADRP Cn1nccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401137477 490098567 /nfs/dbraw/zinc/09/85/67/490098567.db2.gz RECOEWACXYJORF-QJPTWQEYSA-N 2 0 234.347 0.898 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H](C)C[NH3+] ZINC000054129012 490106726 /nfs/dbraw/zinc/10/67/26/490106726.db2.gz CGAGWLWDCSEKRE-SECBINFHSA-N 2 0 201.314 0.038 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669586472 490111698 /nfs/dbraw/zinc/11/16/98/490111698.db2.gz OOODLEOUSXKHOU-QWRGUYRKSA-N 2 0 242.367 0.378 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000054071656 490191658 /nfs/dbraw/zinc/19/16/58/490191658.db2.gz VRPPJUCJMZLTEI-VIFPVBQESA-N 2 0 213.325 0.147 20 0 BCADRP CC[NH+]1CCC(CNC(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674286970 490197635 /nfs/dbraw/zinc/19/76/35/490197635.db2.gz KRCHXKJJJITFLB-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)[NH+](C)C ZINC000078691228 490217742 /nfs/dbraw/zinc/21/77/42/490217742.db2.gz ZYKRNFSAAPFXRN-GXSJLCMTSA-N 2 0 227.352 0.393 20 0 BCADRP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH+](C)C)C1 ZINC000078700898 490219386 /nfs/dbraw/zinc/21/93/86/490219386.db2.gz HZLXWCZQDBMSQI-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)[NH+](C)C ZINC000078737517 490222290 /nfs/dbraw/zinc/22/22/90/490222290.db2.gz ZHALUDOHGANDFR-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP [NH3+][C@@H](C(=O)NCC[NH2+]C1CC1)c1ccccc1 ZINC000131806962 490297940 /nfs/dbraw/zinc/29/79/40/490297940.db2.gz WLFFUAKZIJUDIT-GFCCVEGCSA-N 2 0 233.315 0.555 20 0 BCADRP C[C@@H](CC(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000126943203 490526941 /nfs/dbraw/zinc/52/69/41/490526941.db2.gz VXZQZZVEQCONOK-TUAOUCFPSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H]1OCC[C@]1(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300424659 490561435 /nfs/dbraw/zinc/56/14/35/490561435.db2.gz ZELUUIXCHOTXIG-XQHKEYJVSA-N 2 0 242.363 0.599 20 0 BCADRP C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCO1 ZINC000227480035 491061498 /nfs/dbraw/zinc/06/14/98/491061498.db2.gz CLDIMBXVPURQPP-SRVKXCTJSA-N 2 0 210.321 0.707 20 0 BCADRP C[NH+](C)C/C=C/C(=O)NCC(C)(C)C[NH+](C)C ZINC000491850079 491080888 /nfs/dbraw/zinc/08/08/88/491080888.db2.gz PQYVZNVOHBUDCC-BQYQJAHWSA-N 2 0 241.379 0.808 20 0 BCADRP [NH3+]C1CCC(NC(=O)CC[NH2+]C2CC2)CC1 ZINC000051694850 491115650 /nfs/dbraw/zinc/11/56/50/491115650.db2.gz BHXRTRKGQRSHRD-UHFFFAOYSA-N 2 0 225.336 0.515 20 0 BCADRP [NH3+]CCC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663001180 491121610 /nfs/dbraw/zinc/12/16/10/491121610.db2.gz QHNHKPWKEVQSRQ-LBPRGKRZSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334238961 491123810 /nfs/dbraw/zinc/12/38/10/491123810.db2.gz UDXPHOOERRALJM-YPMHNXCESA-N 2 0 239.363 0.716 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCCC1(C[NH3+])CC1 ZINC000653214957 491128345 /nfs/dbraw/zinc/12/83/45/491128345.db2.gz JHZWAXMORVGDSU-JTQLQIEISA-N 2 0 227.352 0.605 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC1(C[NH3+])CC1 ZINC000653215797 491128439 /nfs/dbraw/zinc/12/84/39/491128439.db2.gz BHSAKVUSAAQIRF-SECBINFHSA-N 2 0 213.325 0.215 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)[NH2+]C ZINC000655451560 491129405 /nfs/dbraw/zinc/12/94/05/491129405.db2.gz KJWMNBYOAHVJPS-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP CC[NH+]1CCC(NC(=O)C2(C)C[NH2+]C2)CC1 ZINC000335189788 491132136 /nfs/dbraw/zinc/13/21/36/491132136.db2.gz DFAJLXRONDUVJS-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CC(C)(C)CO ZINC000308686552 491137801 /nfs/dbraw/zinc/13/78/01/491137801.db2.gz ZSUMOJDQSNVIRH-NXEZZACHSA-N 2 0 200.326 0.545 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000335380578 535494367 /nfs/dbraw/zinc/49/43/67/535494367.db2.gz NKWFGZQEJBCDBM-RYUDHWBXSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000493897310 533805508 /nfs/dbraw/zinc/80/55/08/533805508.db2.gz NDODYNJMQCYJSI-HBNTYKKESA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)[C@@H]1CCC[NH2+]1 ZINC000400523336 533885264 /nfs/dbraw/zinc/88/52/64/533885264.db2.gz PAWNATJIAWMJSO-FIQHERPVSA-N 2 0 212.337 0.878 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335627374 535525712 /nfs/dbraw/zinc/52/57/12/535525712.db2.gz QJMIAWIIURFRMZ-GFCCVEGCSA-N 2 0 227.352 0.714 20 0 BCADRP COC(=O)N1CC([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000496500062 533933641 /nfs/dbraw/zinc/93/36/41/533933641.db2.gz VGGZSNCWVIJPNF-WCBMZHEXSA-N 2 0 227.308 0.154 20 0 BCADRP C[C@@H](CCO)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000779340928 582667939 /nfs/dbraw/zinc/66/79/39/582667939.db2.gz FHLCVGQZOUIYBO-LBPRGKRZSA-N 2 0 243.395 0.373 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186495928 535675368 /nfs/dbraw/zinc/67/53/68/535675368.db2.gz BYQZDXJNDKTQEY-PWSUYJOCSA-N 2 0 239.363 0.857 20 0 BCADRP C[N@@H+]1CCN(C(=O)NCC[NH3+])CCC1(C)C ZINC000891975584 582751473 /nfs/dbraw/zinc/75/14/73/582751473.db2.gz DBADWYVQCDAJCA-UHFFFAOYSA-N 2 0 228.340 0.071 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000470174832 534271962 /nfs/dbraw/zinc/27/19/62/534271962.db2.gz WKWCSQOZGLKMME-NQBHXWOUSA-N 2 0 239.363 0.844 20 0 BCADRP [NH3+]CCCNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000891986056 582753566 /nfs/dbraw/zinc/75/35/66/582753566.db2.gz NKNDGCRKZYJRIK-UHFFFAOYSA-N 2 0 226.324 0.001 20 0 BCADRP CC[NH2+]CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891997185 582757214 /nfs/dbraw/zinc/75/72/14/582757214.db2.gz WPTRGMTXRCVUFZ-QWRGUYRKSA-N 2 0 240.351 0.132 20 0 BCADRP CC[NH2+]CCNC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000891996756 582757349 /nfs/dbraw/zinc/75/73/49/582757349.db2.gz FHBFLLKEIFPNGD-LLVKDONJSA-N 2 0 242.367 0.509 20 0 BCADRP CCC[NH+](CCC)CCCNC(N)=[NH2+] ZINC000238241468 517580813 /nfs/dbraw/zinc/58/08/13/517580813.db2.gz QUOJHKUHDOLJMI-UHFFFAOYSA-N 2 0 200.330 0.982 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000892002282 582758669 /nfs/dbraw/zinc/75/86/69/582758669.db2.gz NINPHVHXXBHFJR-QWRGUYRKSA-N 2 0 240.351 0.261 20 0 BCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000494563433 534303086 /nfs/dbraw/zinc/30/30/86/534303086.db2.gz HWDNMPNMPVKIIN-IJLUTSLNSA-N 2 0 239.363 0.727 20 0 BCADRP CCN(C(=O)NC[C@@H]([NH3+])C(C)C)[C@H]1CC[NH2+]C1 ZINC000892021924 582763465 /nfs/dbraw/zinc/76/34/65/582763465.db2.gz NWJYNTXMTLQVRB-WDEREUQCSA-N 2 0 242.367 0.363 20 0 BCADRP CCN(C(=O)NC[C@H]([NH3+])C(C)C)[C@H]1CC[NH2+]C1 ZINC000892021923 582763802 /nfs/dbraw/zinc/76/38/02/582763802.db2.gz NWJYNTXMTLQVRB-QWRGUYRKSA-N 2 0 242.367 0.363 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000892035031 582768473 /nfs/dbraw/zinc/76/84/73/582768473.db2.gz ZRDUQMWGOKRWMF-UHFFFAOYSA-N 2 0 244.383 0.884 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000892045996 582771089 /nfs/dbraw/zinc/77/10/89/582771089.db2.gz YENROQRWVRYUAC-GMTAPVOTSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424156096 518179312 /nfs/dbraw/zinc/17/93/12/518179312.db2.gz NPCGNOMNAUYSND-KXNHARMFSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892045999 582771528 /nfs/dbraw/zinc/77/15/28/582771528.db2.gz YENROQRWVRYUAC-VWYCJHECSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000892055262 582777481 /nfs/dbraw/zinc/77/74/81/582777481.db2.gz IOBPYRYPQFMJGR-QWRGUYRKSA-N 2 0 242.367 0.637 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)NC1(C[NH3+])CCCCC1 ZINC000892055215 582778356 /nfs/dbraw/zinc/77/83/56/582778356.db2.gz IHGAGXYOSULDII-JTQLQIEISA-N 2 0 242.367 0.685 20 0 BCADRP C[C@H]1C[C@H](NC(=O)NCCC(C)(C)[NH3+])CC[NH2+]1 ZINC000892097270 582790126 /nfs/dbraw/zinc/79/01/26/582790126.db2.gz MPFNEZTVNRNRIT-VHSXEESVSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000892095868 582789703 /nfs/dbraw/zinc/78/97/03/582789703.db2.gz YWSNUSYBPVUNHT-DBIOUOCHSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000892142558 582799663 /nfs/dbraw/zinc/79/96/63/582799663.db2.gz VJUJFUKTFXDXLG-VWYCJHECSA-N 2 0 242.367 0.683 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892143385 582800150 /nfs/dbraw/zinc/80/01/50/582800150.db2.gz FHTIMVHVMSOHAK-AXFHLTTASA-N 2 0 240.351 0.260 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892147573 582801329 /nfs/dbraw/zinc/80/13/29/582801329.db2.gz VPYCJAVIHGBRAT-BMQDGWLCSA-N 2 0 240.351 0.389 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N(C)CCCCCC[NH3+] ZINC000892147533 582801394 /nfs/dbraw/zinc/80/13/94/582801394.db2.gz POKWRYTXKCZGFF-LLVKDONJSA-N 2 0 244.383 0.884 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)NCC[C@H]1CCC[NH2+]1 ZINC000494661052 534445257 /nfs/dbraw/zinc/44/52/57/534445257.db2.gz IWKOFJOWEUBQAO-NWDGAFQWSA-N 2 0 239.363 0.777 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892200023 582807419 /nfs/dbraw/zinc/80/74/19/582807419.db2.gz OYKMSEZYPGLWPF-UTINFBMNSA-N 2 0 228.340 0.149 20 0 BCADRP CNC(=O)[C@@H](C)C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000261539867 536344381 /nfs/dbraw/zinc/34/43/81/536344381.db2.gz CBZLEJXISZYXCO-NWDGAFQWSA-N 2 0 241.379 0.690 20 0 BCADRP C[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000228310346 524565550 /nfs/dbraw/zinc/56/55/50/524565550.db2.gz KDHJJDXICLPTGG-ZRUFSTJUSA-N 2 0 200.326 0.686 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000342711491 534900411 /nfs/dbraw/zinc/90/04/11/534900411.db2.gz LXYCRBULAPQKQN-GHMZBOCLSA-N 2 0 227.352 0.298 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1CNC1=[NH+]CCCN1 ZINC000262124914 534912478 /nfs/dbraw/zinc/91/24/78/534912478.db2.gz MXTMCYNOTZGRLT-NSHDSACASA-N 2 0 224.352 0.800 20 0 BCADRP C[NH2+]CCC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000262335000 536444780 /nfs/dbraw/zinc/44/47/80/536444780.db2.gz HDQCGLWQPYEMKQ-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1CC1CC[NH2+]CC1 ZINC000261542904 536458261 /nfs/dbraw/zinc/45/82/61/536458261.db2.gz HFBJQLKERFUKNA-LBPRGKRZSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000262616961 536462014 /nfs/dbraw/zinc/46/20/14/536462014.db2.gz HRNWKSARQYENOT-GARJFASQSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000494709763 528497267 /nfs/dbraw/zinc/49/72/67/528497267.db2.gz OOJADTDXJXTTOW-IRCOFANPSA-N 2 0 239.363 0.556 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000494692933 528498856 /nfs/dbraw/zinc/49/88/56/528498856.db2.gz WGDRWWUYLKZHQC-JFGNBEQYSA-N 2 0 239.363 0.711 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000494872675 528969617 /nfs/dbraw/zinc/96/96/17/528969617.db2.gz HDJMSUZWDAPDNN-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000261949253 534932843 /nfs/dbraw/zinc/93/28/43/534932843.db2.gz LKOXCEYYPRDRLH-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000261949254 534934836 /nfs/dbraw/zinc/93/48/36/534934836.db2.gz LKOXCEYYPRDRLH-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178720988 534998242 /nfs/dbraw/zinc/99/82/42/534998242.db2.gz DHKQHQDSQLTVTI-JTQLQIEISA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335335590 535048820 /nfs/dbraw/zinc/04/88/20/535048820.db2.gz ZNLUDLQURXUBOH-AAEUAGOBSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183308412 535049597 /nfs/dbraw/zinc/04/95/97/535049597.db2.gz DUDDSEWVPALAOX-JTQLQIEISA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342714051 535050252 /nfs/dbraw/zinc/05/02/52/535050252.db2.gz OOJADTDXJXTTOW-USZNOCQGSA-N 2 0 239.363 0.556 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342714050 535050686 /nfs/dbraw/zinc/05/06/86/535050686.db2.gz OOJADTDXJXTTOW-QCNOEVLYSA-N 2 0 239.363 0.556 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000342748312 535075796 /nfs/dbraw/zinc/07/57/96/535075796.db2.gz HNOQYGLOWIPZBR-GMTAPVOTSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000084410200 535091527 /nfs/dbraw/zinc/09/15/27/535091527.db2.gz ZIIXWMAFHNDDLR-UHFFFAOYSA-N 2 0 225.336 0.006 20 0 BCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH3+])C1 ZINC000168722743 535133076 /nfs/dbraw/zinc/13/30/76/535133076.db2.gz CLLDMTVQIPSRJG-QWRGUYRKSA-N 2 0 227.352 0.428 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000154260727 535169906 /nfs/dbraw/zinc/16/99/06/535169906.db2.gz BVXWKUZNEUBXEO-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)C[NH3+])C1 ZINC000262324773 535175111 /nfs/dbraw/zinc/17/51/11/535175111.db2.gz FWHXGBFGIWBELH-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP CCCN(C(=O)CCC[NH2+]C)[C@H]1CC[NH2+]C1 ZINC000178891904 535200660 /nfs/dbraw/zinc/20/06/60/535200660.db2.gz GBUGZFZDFISBDM-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP CCCN(C(=O)C[C@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000178927171 535208285 /nfs/dbraw/zinc/20/82/85/535208285.db2.gz JWKVWWMSIRFKTB-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351754213 535315994 /nfs/dbraw/zinc/31/59/94/535315994.db2.gz IMEJNBYVFHPDPJ-AXFHLTTASA-N 2 0 227.352 0.556 20 0 BCADRP CCC[NH+]1CCC(CNC(=O)C[C@H](C)[NH3+])CC1 ZINC000261919846 535352350 /nfs/dbraw/zinc/35/23/50/535352350.db2.gz YQGYPETUBQEUAW-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH2+]C1 ZINC000262054578 535364263 /nfs/dbraw/zinc/36/42/63/535364263.db2.gz WZDQOYVFWXDRPL-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@](C)(O)CCOC)CC1 ZINC000223667204 535474392 /nfs/dbraw/zinc/47/43/92/535474392.db2.gz CGUWSZASPSIZGX-CYBMUJFWSA-N 2 0 244.379 0.848 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000335382286 535493118 /nfs/dbraw/zinc/49/31/18/535493118.db2.gz XKEAQAUTAUIYAS-LBPRGKRZSA-N 2 0 239.363 0.811 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000335389128 535496236 /nfs/dbraw/zinc/49/62/36/535496236.db2.gz JKFPRTNMMRCHQN-MNOVXSKESA-N 2 0 225.336 0.420 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000335305553 535516705 /nfs/dbraw/zinc/51/67/05/535516705.db2.gz QMOXPOXRGSEDRX-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP CCOCC[N@H+](CC)CCOCC[NH3+] ZINC000086435782 535585250 /nfs/dbraw/zinc/58/52/50/535585250.db2.gz CYHXGANOHHIBNM-UHFFFAOYSA-N 2 0 204.314 0.320 20 0 BCADRP CC[NH+](CC)[C@@H](C)CNC(=O)C[NH+](C)C ZINC000171184624 535640229 /nfs/dbraw/zinc/64/02/29/535640229.db2.gz MMGDMUXLYODWGU-JTQLQIEISA-N 2 0 215.341 0.395 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262626853 535655240 /nfs/dbraw/zinc/65/52/40/535655240.db2.gz LBXFOKWXYSHNGL-WISYIIOYSA-N 2 0 239.363 0.713 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(CCOCC[NH3+])C1 ZINC000086435737 535678762 /nfs/dbraw/zinc/67/87/62/535678762.db2.gz MLLFCEFTHSORCU-LBPRGKRZSA-N 2 0 229.368 0.378 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251382502 535679907 /nfs/dbraw/zinc/67/99/07/535679907.db2.gz WIYLSNZGYAVMHG-SRVKXCTJSA-N 2 0 239.363 0.857 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000335678318 535759473 /nfs/dbraw/zinc/75/94/73/535759473.db2.gz YZGWJTUFLGNJFN-QWHCGFSZSA-N 2 0 239.363 0.716 20 0 BCADRP CC[C@]1(C(=O)N2CCC([NH2+]C)CC2)CCC[NH2+]1 ZINC000134368133 535878369 /nfs/dbraw/zinc/87/83/69/535878369.db2.gz WSKHOIFAPKYXFA-CYBMUJFWSA-N 2 0 239.363 0.729 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CCC[NH2+]1 ZINC000250080025 535881775 /nfs/dbraw/zinc/88/17/75/535881775.db2.gz OZEXUTHOQGLYSW-NQBHXWOUSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000342664165 535885379 /nfs/dbraw/zinc/88/53/79/535885379.db2.gz OXWSKMJKXFICEN-SNVBAGLBSA-N 2 0 240.351 0.084 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000336041364 535942042 /nfs/dbraw/zinc/94/20/42/535942042.db2.gz KVUNHELKXSTBSP-RYUDHWBXSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000261536880 535951997 /nfs/dbraw/zinc/95/19/97/535951997.db2.gz UBTRAPXZOWBJSU-YUMQZZPRSA-N 2 0 201.314 0.213 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262072801 535964698 /nfs/dbraw/zinc/96/46/98/535964698.db2.gz SEZNIXLYYVDQGF-OLZOCXBDSA-N 2 0 225.380 0.870 20 0 BCADRP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@H]1CCSC1 ZINC000226385905 535974260 /nfs/dbraw/zinc/97/42/60/535974260.db2.gz XTVJJICYYKGRSI-GHMZBOCLSA-N 2 0 232.393 0.642 20 0 BCADRP CC[C@@]1(C(=O)NC[C@H](C)[NH2+]C)CCC[NH2+]1 ZINC000261556546 536026023 /nfs/dbraw/zinc/02/60/23/536026023.db2.gz WAVWBBYAVIAHMO-ONGXEEELSA-N 2 0 213.325 0.243 20 0 BCADRP CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)C1CC([NH3+])C1 ZINC000335345079 536059785 /nfs/dbraw/zinc/05/97/85/536059785.db2.gz IHZAISQNNZVRCW-ILDUYXDCSA-N 2 0 237.347 0.324 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000082921268 536109749 /nfs/dbraw/zinc/10/97/49/536109749.db2.gz YXBZRZHXAOUHPC-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH+]1CCC(NC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000261551562 536340659 /nfs/dbraw/zinc/34/06/59/536340659.db2.gz MFWHCUYTJQEXPA-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000261687256 536356213 /nfs/dbraw/zinc/35/62/13/536356213.db2.gz IAVGMJNRZIMGTR-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000263097301 536373340 /nfs/dbraw/zinc/37/33/40/536373340.db2.gz ZCBGCLPHVSNMJL-WZRBSPASSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000334950427 536373377 /nfs/dbraw/zinc/37/33/77/536373377.db2.gz LHEXOOJTABRGAE-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCO)C2)C1 ZINC000335930951 536380761 /nfs/dbraw/zinc/38/07/61/536380761.db2.gz FLUHLULNQIZFEH-GFCCVEGCSA-N 2 0 212.337 0.787 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000261545432 536399377 /nfs/dbraw/zinc/39/93/77/536399377.db2.gz JYUVEUXOAWVEAJ-MWLCHTKSSA-N 2 0 213.325 0.243 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000261553442 536458930 /nfs/dbraw/zinc/45/89/30/536458930.db2.gz SLRNMHPPHKLKEH-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP CO[C@H](C[NH3+])C(=O)NCC[NH+](C(C)C)C(C)C ZINC000227342159 536558067 /nfs/dbraw/zinc/55/80/67/536558067.db2.gz BMIURSXBTCFJLF-LLVKDONJSA-N 2 0 245.367 0.195 20 0 BCADRP CO[C@H](C[NH3+])CC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000262893803 536569583 /nfs/dbraw/zinc/56/95/83/536569583.db2.gz OVHHYWVCYAOWLM-CMPLNLGQSA-N 2 0 245.367 0.230 20 0 BCADRP COC[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000178974131 536583459 /nfs/dbraw/zinc/58/34/59/536583459.db2.gz PRZKMNJRGMJFRS-GFCCVEGCSA-N 2 0 228.336 0.333 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000562977544 566330175 /nfs/dbraw/zinc/33/01/75/566330175.db2.gz FZGWZMVMLHWQAV-WDEREUQCSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000289300093 566384291 /nfs/dbraw/zinc/38/42/91/566384291.db2.gz RZEYPEPDJJOOSS-RAIGVLPGSA-N 2 0 247.342 0.677 20 0 BCADRP C[N@H+](C[C@@]12C[C@@H]1C[NH2+]C2)C1CCC([NH3+])CC1 ZINC000853245760 588728562 /nfs/dbraw/zinc/72/85/62/588728562.db2.gz CJGIEMFRNGQSAA-XVSSEFHLSA-N 3 0 223.364 0.798 20 0 BCADRP C(N1CC[C@@]2(C1)CCC[NH2+]C2)[C@]12C[C@H]1C[NH2+]C2 ZINC000853246271 588728697 /nfs/dbraw/zinc/72/86/97/588728697.db2.gz IZWVOKIAGXUEHY-MELADBBJSA-N 2 0 235.375 0.671 20 0 BCADRP CC(C)[NH2+]Cc1cn(C2CC[NH2+]CC2)nn1 ZINC000854216023 588779696 /nfs/dbraw/zinc/77/96/96/588779696.db2.gz RRKDSIVTJCFXPO-UHFFFAOYSA-N 2 0 223.324 0.701 20 0 BCADRP C[NH+](C)CCN1CCC[C@@]12CCC[NH2+]C2 ZINC000757129206 582504411 /nfs/dbraw/zinc/50/44/11/582504411.db2.gz KXSHKPDKNRCDPS-GFCCVEGCSA-N 2 0 211.353 0.766 20 0 BCADRP CC[NH+](CC)CCNc1cc[nH+]cc1CO ZINC000891392131 582676759 /nfs/dbraw/zinc/67/67/59/582676759.db2.gz ZJISGJRMKMPCKS-UHFFFAOYSA-N 2 0 223.320 0.750 20 0 BCADRP C[C@@H](CCO)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000132411886 582738397 /nfs/dbraw/zinc/73/83/97/582738397.db2.gz FKYWVRWBIVWPGK-WDEREUQCSA-N 2 0 200.326 0.689 20 0 BCADRP C[C@@H](CNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C)[NH+](C)C ZINC000891940409 582741905 /nfs/dbraw/zinc/74/19/05/582741905.db2.gz QORJWUSOEVMLFO-GUBZILKMSA-N 2 0 228.340 0.068 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000891970330 582749732 /nfs/dbraw/zinc/74/97/32/582749732.db2.gz FBICCBGGUYAWTO-DCAQKATOSA-N 2 0 240.351 0.165 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000891981000 582752118 /nfs/dbraw/zinc/75/21/18/582752118.db2.gz ZCEATQWXAODGCB-GHMZBOCLSA-N 2 0 240.351 0.119 20 0 BCADRP CCN(C(=O)NCC[NH2+]C1CC1)[C@@H]1CC[NH2+]C1 ZINC000891985014 582752714 /nfs/dbraw/zinc/75/27/14/582752714.db2.gz RBVLOJCSRJQOQN-LLVKDONJSA-N 2 0 240.351 0.132 20 0 BCADRP C[NH2+]CCNC(=O)N(C)CCCCCC[NH3+] ZINC000891994254 582755995 /nfs/dbraw/zinc/75/59/95/582755995.db2.gz QFGUDHWGCOBTDJ-UHFFFAOYSA-N 2 0 230.356 0.366 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000891998410 582758439 /nfs/dbraw/zinc/75/84/39/582758439.db2.gz FEWKNQJTIGTFIT-OUAUKWLOSA-N 2 0 240.351 0.117 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000892002284 582758969 /nfs/dbraw/zinc/75/89/69/582758969.db2.gz NINPHVHXXBHFJR-WDEREUQCSA-N 2 0 240.351 0.261 20 0 BCADRP Nc1cc[nH+]c(CNC(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000892017217 582761585 /nfs/dbraw/zinc/76/15/85/582761585.db2.gz SRZRLVGGBPTMRT-JTQLQIEISA-N 2 0 249.318 0.215 20 0 BCADRP CCN(C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000892015876 582761659 /nfs/dbraw/zinc/76/16/59/582761659.db2.gz CTJWFJWKTVBZJQ-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NCCC(C)(C)[NH3+] ZINC000892021869 582763320 /nfs/dbraw/zinc/76/33/20/582763320.db2.gz NDAQUTJCSRKYDZ-SECBINFHSA-N 2 0 230.356 0.396 20 0 BCADRP CC(C)([NH3+])CNC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000892030272 582765585 /nfs/dbraw/zinc/76/55/85/582765585.db2.gz GAHDVHDSHNMFAP-JTQLQIEISA-N 2 0 242.367 0.637 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000892037683 582769451 /nfs/dbraw/zinc/76/94/51/582769451.db2.gz JIVKBTRJHHBQRX-OUAUKWLOSA-N 2 0 242.367 0.491 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NCCC(C)(C)[NH3+] ZINC000892040913 582770157 /nfs/dbraw/zinc/77/01/57/582770157.db2.gz PAQKVIFOGPCGSY-SNVBAGLBSA-N 2 0 244.383 0.931 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892044985 582772411 /nfs/dbraw/zinc/77/24/11/582772411.db2.gz QSFBMNLSGUUGPJ-SCVCMEIPSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000892052686 582776365 /nfs/dbraw/zinc/77/63/65/582776365.db2.gz DYVVAAWPEYBEKA-KXUCPTDWSA-N 2 0 228.340 0.293 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000892083232 582787939 /nfs/dbraw/zinc/78/79/39/582787939.db2.gz SCHNBYGBYJNVNW-SNVBAGLBSA-N 2 0 242.367 0.555 20 0 BCADRP [NH3+]C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)C(F)(F)F ZINC000848438213 582788021 /nfs/dbraw/zinc/78/80/21/582788021.db2.gz QVIATTFJAZJTRJ-RQJHMYQMSA-N 2 0 239.241 0.120 20 0 BCADRP CCC1([NH3+])CCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000892091303 582789185 /nfs/dbraw/zinc/78/91/85/582789185.db2.gz DZMUVSHJWOFLBW-VIFPVBQESA-N 2 0 228.340 0.247 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000892095945 582789532 /nfs/dbraw/zinc/78/95/32/582789532.db2.gz GXNKZLIGZRHJJU-VHSXEESVSA-N 2 0 228.340 0.247 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[NH2+]1 ZINC000892098119 582790229 /nfs/dbraw/zinc/79/02/29/582790229.db2.gz XRRPLEDLQJCDLE-GWOFURMSSA-N 2 0 240.351 0.163 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)NCCC(C)(C)[NH3+])CC[NH2+]1 ZINC000892097269 582790442 /nfs/dbraw/zinc/79/04/42/582790442.db2.gz MPFNEZTVNRNRIT-UWVGGRQHSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N(C)CCCCCC[NH3+] ZINC000892095363 582790511 /nfs/dbraw/zinc/79/05/11/582790511.db2.gz XKGWUDVGNISZMR-JTQLQIEISA-N 2 0 230.356 0.494 20 0 BCADRP [NH3+]C/C=C\CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892122811 582795544 /nfs/dbraw/zinc/79/55/44/582795544.db2.gz TXELSKNGXLWVFE-FCSJWLPWSA-N 2 0 240.351 0.318 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)NCCC(C)(C)[NH3+] ZINC000892134739 582798203 /nfs/dbraw/zinc/79/82/03/582798203.db2.gz JXYCCOGTCXYVAR-SNVBAGLBSA-N 2 0 244.383 0.931 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000892141254 582799581 /nfs/dbraw/zinc/79/95/81/582799581.db2.gz IAQJCYQAXVSYEH-GARJFASQSA-N 2 0 242.367 0.635 20 0 BCADRP CCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])[C@@H]1CC[NH2+]C1 ZINC000892144077 582800365 /nfs/dbraw/zinc/80/03/65/582800365.db2.gz HLHPDFBSWDMPAI-OPRDCNLKSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000892144134 582800435 /nfs/dbraw/zinc/80/04/35/582800435.db2.gz HXIMZERWRDGTIR-GUBZILKMSA-N 2 0 228.340 0.245 20 0 BCADRP C[C@@H](NC(=O)N1CCCC[C@H]1C[NH3+])[C@H](C)[NH3+] ZINC000892144130 582800531 /nfs/dbraw/zinc/80/05/31/582800531.db2.gz HXIMZERWRDGTIR-AEJSXWLSSA-N 2 0 228.340 0.245 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000892146182 582800619 /nfs/dbraw/zinc/80/06/19/582800619.db2.gz NQBCLHTUZHGLKH-GHMZBOCLSA-N 2 0 242.367 0.637 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000892175632 582805187 /nfs/dbraw/zinc/80/51/87/582805187.db2.gz MMPGRMRBUCZDAM-VHSXEESVSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCC1(C[NH3+])CC1 ZINC000892221430 582809029 /nfs/dbraw/zinc/80/90/29/582809029.db2.gz WPPKUHMQSLACPW-ZJUUUORDSA-N 2 0 240.351 0.247 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC1([NH3+])CCCC1 ZINC000892249218 582813137 /nfs/dbraw/zinc/81/31/37/582813137.db2.gz NWEOIMGXYOWQOC-NXEZZACHSA-N 2 0 240.351 0.389 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)NCC2([NH3+])CCCC2)C1 ZINC000892248611 582813456 /nfs/dbraw/zinc/81/34/56/582813456.db2.gz HQSWVPKINTVJDY-MGCOHNPYSA-N 2 0 240.351 0.294 20 0 BCADRP CCNC(=[NH2+])NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000848986867 582817717 /nfs/dbraw/zinc/81/77/17/582817717.db2.gz IVCCMAIJDLZAAI-NSHDSACASA-N 2 0 241.383 0.146 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000848992428 582819747 /nfs/dbraw/zinc/81/97/47/582819747.db2.gz ABSXFJYCXQCVRV-SNVBAGLBSA-N 2 0 224.352 0.995 20 0 BCADRP C[NH+]1CCC(CNC(=[NH2+])NC2CCC2)CC1 ZINC000848998817 582821044 /nfs/dbraw/zinc/82/10/44/582821044.db2.gz ACAZOFAQSFECOT-UHFFFAOYSA-N 2 0 224.352 0.995 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cc(N)cc[nH+]1 ZINC000892302613 582832469 /nfs/dbraw/zinc/83/24/69/582832469.db2.gz QWMZPZWHVRIYGE-GZMMTYOYSA-N 2 0 249.318 0.213 20 0 BCADRP CCN(C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000892303152 582832472 /nfs/dbraw/zinc/83/24/72/582832472.db2.gz XIZKBQCUQZJZDQ-HBNTYKKESA-N 2 0 240.351 0.130 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000892435745 582887006 /nfs/dbraw/zinc/88/70/06/582887006.db2.gz DBPWMPUTZUCMEJ-DCAQKATOSA-N 2 0 240.351 0.247 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892436007 582887133 /nfs/dbraw/zinc/88/71/33/582887133.db2.gz JSUJJZKQVVCHOX-GMTAPVOTSA-N 2 0 242.367 0.493 20 0 BCADRP C[NH2+]CCN(C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892435776 582887141 /nfs/dbraw/zinc/88/71/41/582887141.db2.gz DWFXHDCIHXQGQV-XYPYZODXSA-N 2 0 242.367 0.365 20 0 BCADRP CN(CC[NH3+])C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892486457 582897408 /nfs/dbraw/zinc/89/74/08/582897408.db2.gz OVOQUUYKWRFYEF-JTQLQIEISA-N 2 0 242.367 0.365 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892556563 582912377 /nfs/dbraw/zinc/91/23/77/582912377.db2.gz CFOGGBUCHZOGMW-PHIMTYICSA-N 2 0 242.367 0.317 20 0 BCADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)COC(C)=O)C1 ZINC000892614506 582930192 /nfs/dbraw/zinc/93/01/92/582930192.db2.gz QWBAFPOKXFTCOO-JQWIXIFHSA-N 2 0 228.336 0.869 20 0 BCADRP C[C@H]1C[C@@H](Nc2cc[nH+]cc2CO)CC[N@@H+]1C ZINC000892673848 582948325 /nfs/dbraw/zinc/94/83/25/582948325.db2.gz OZRBUSACYUMDJV-JQWIXIFHSA-N 2 0 235.331 0.890 20 0 BCADRP CC(=O)OC[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000892741530 582974179 /nfs/dbraw/zinc/97/41/79/582974179.db2.gz RBHNKERAKLOFEV-JTQLQIEISA-N 2 0 216.325 0.869 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCC(C)(C)[NH3+])C1 ZINC000892851192 582995840 /nfs/dbraw/zinc/99/58/40/582995840.db2.gz QRJCNKDYQDZGKL-ZJUUUORDSA-N 2 0 242.367 0.493 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCCC(C)(C)[NH3+] ZINC000892850947 582995861 /nfs/dbraw/zinc/99/58/61/582995861.db2.gz PQJKLUOCHHRIDN-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H]1CN(C(=O)NCCC(C)(C)[NH3+])CC[C@@H]1[NH3+] ZINC000892851201 582996119 /nfs/dbraw/zinc/99/61/19/582996119.db2.gz QWGYIJLPHAPCKP-UWVGGRQHSA-N 2 0 242.367 0.493 20 0 BCADRP C[C@@H]1CN(C(=O)NCCC(C)(C)[NH3+])[C@H](C)C[NH2+]1 ZINC000892852070 582996638 /nfs/dbraw/zinc/99/66/38/582996638.db2.gz ZXZOPGJKGWMGOF-NXEZZACHSA-N 2 0 242.367 0.506 20 0 BCADRP CCC1([NH3+])CCN(C(=O)NC(C)(C)C[NH3+])CC1 ZINC000892933854 583011774 /nfs/dbraw/zinc/01/17/74/583011774.db2.gz RFQPOQZKDBPYFH-UHFFFAOYSA-N 2 0 242.367 0.637 20 0 BCADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[NH2+]C1)C2 ZINC000857009101 588881691 /nfs/dbraw/zinc/88/16/91/588881691.db2.gz SSXKAHZAPFIOHR-GMXVVIOVSA-N 2 0 237.347 0.326 20 0 BCADRP CCn1ncc(CN2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000857084701 588886241 /nfs/dbraw/zinc/88/62/41/588886241.db2.gz XZRYLVLNERBNAJ-UWVGGRQHSA-N 2 0 223.324 0.467 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000857103127 588887773 /nfs/dbraw/zinc/88/77/73/588887773.db2.gz CAJHEAKHCSKBNF-KXUCPTDWSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000857104035 588887780 /nfs/dbraw/zinc/88/77/80/588887780.db2.gz LDAGJKBKAZMKDP-UWVGGRQHSA-N 2 0 228.340 0.023 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000857103424 588887824 /nfs/dbraw/zinc/88/78/24/588887824.db2.gz IGPGWANSMUEEAY-GUBZILKMSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000857104864 588888246 /nfs/dbraw/zinc/88/82/46/588888246.db2.gz YUXOJEMSDKKWHE-CMPLNLGQSA-N 2 0 242.367 0.413 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000857107072 588888267 /nfs/dbraw/zinc/88/82/67/588888267.db2.gz KBGVJVUDQSPCRB-GUBZILKMSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000857106913 588888276 /nfs/dbraw/zinc/88/82/76/588888276.db2.gz FCDHQBWTOQTNDK-GARJFASQSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000857106266 588888294 /nfs/dbraw/zinc/88/82/94/588888294.db2.gz GYZMQGJLZGGYLD-GUBZILKMSA-N 2 0 228.340 0.150 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000857107263 588888337 /nfs/dbraw/zinc/88/83/37/588888337.db2.gz PTFLWEWKPWEXNU-WDEREUQCSA-N 2 0 242.367 0.494 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000857107170 588888341 /nfs/dbraw/zinc/88/83/41/588888341.db2.gz NKDCOOZHWNCTDT-LPEHRKFASA-N 2 0 228.340 0.102 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC[C@H](C)[NH3+] ZINC000857108663 588888727 /nfs/dbraw/zinc/88/87/27/588888727.db2.gz DUJXRVUDRDVQJT-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N(C)CCC[NH+](C)C ZINC000857109023 588888928 /nfs/dbraw/zinc/88/89/28/588888928.db2.gz JVCXJANXFWQZKO-JTQLQIEISA-N 2 0 230.356 0.317 20 0 BCADRP C[N@H+]1C[C@@H]2C[NH+](CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000894082222 583294339 /nfs/dbraw/zinc/29/43/39/583294339.db2.gz BEYYLEGRPMRIBZ-OKILXGFUSA-N 3 0 237.391 0.822 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242593 583304799 /nfs/dbraw/zinc/30/47/99/583304799.db2.gz GLQASTHHQLWAQM-KKOKHZNYSA-N 2 0 239.363 0.713 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CC[C@H]21 ZINC000877250387 583305018 /nfs/dbraw/zinc/30/50/18/583305018.db2.gz PNHQDZOKQAUEJF-NNYUYHANSA-N 2 0 237.347 0.276 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877283752 583307196 /nfs/dbraw/zinc/30/71/96/583307196.db2.gz QRYAILNRFQDJGO-OUAUKWLOSA-N 2 0 237.347 0.337 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000841848355 583362251 /nfs/dbraw/zinc/36/22/51/583362251.db2.gz GDJZDQGSLASOKI-SNVBAGLBSA-N 2 0 227.352 0.748 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)C1CC[NH+](C)CC1 ZINC000857283506 588902631 /nfs/dbraw/zinc/90/26/31/588902631.db2.gz JGDJEKIRWHPAFV-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)[C@H](C(=O)NC1CC([NH+](C)C)C1)[NH+](C)C ZINC000857228532 588896658 /nfs/dbraw/zinc/89/66/58/588896658.db2.gz PEGIDMFFKRLBCY-HTAVTVPLSA-N 2 0 241.379 0.781 20 0 BCADRP C[C@@H]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)C[C@H]1C[NH3+] ZINC000841856938 583435965 /nfs/dbraw/zinc/43/59/65/583435965.db2.gz QOWXSQAGCQMXAN-YUSALJHKSA-N 2 0 239.363 0.557 20 0 BCADRP CN(C)c1cc(N(C)CC2C[NH+](C)C2)ncn1 ZINC000894541010 583480920 /nfs/dbraw/zinc/48/09/20/583480920.db2.gz RACHGJOXTVDSPA-UHFFFAOYSA-N 2 0 235.335 0.540 20 0 BCADRP COCCN(CC[NH+](C)C)Cc1c[nH]cn1 ZINC000894770253 583517061 /nfs/dbraw/zinc/51/70/61/583517061.db2.gz NPSRBVFUUVSPNS-UHFFFAOYSA-N 2 0 226.324 0.420 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CCO[C@H](CF)C2)CC1 ZINC000894886867 583546963 /nfs/dbraw/zinc/54/69/63/583546963.db2.gz BYPGOLJMEKPYNO-GFCCVEGCSA-N 2 0 230.327 0.999 20 0 BCADRP CN(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C1CC([NH3+])C1 ZINC000334954703 583597388 /nfs/dbraw/zinc/59/73/88/583597388.db2.gz DLMFKDGGVTTZIH-BZCXBAJXSA-N 2 0 240.351 0.387 20 0 BCADRP CC(=O)OC[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000895204931 583625156 /nfs/dbraw/zinc/62/51/56/583625156.db2.gz KVRTYWDYBMNXFI-ZMLRMANQSA-N 2 0 228.336 0.868 20 0 BCADRP C[C@@H]1CN(C(=O)CC(C)(C)[NH3+])C[C@@]1(C)C[NH3+] ZINC000669521285 583642722 /nfs/dbraw/zinc/64/27/22/583642722.db2.gz IOJSKFTYKRSWSK-BXKDBHETSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@@H]1C[C@H](N[C@H]2C(=O)NCC2(C)C)CC[N@@H+]1C ZINC000895323097 583649992 /nfs/dbraw/zinc/64/99/92/583649992.db2.gz YJIYHSWAVOFPDF-MXWKQRLJSA-N 2 0 239.363 0.583 20 0 BCADRP CN1CC[N@H+](CC2CC[NH+](C)CC2)CCC1=O ZINC000895398310 583665126 /nfs/dbraw/zinc/66/51/26/583665126.db2.gz YOGFRHOMMDSNIN-UHFFFAOYSA-N 2 0 239.363 0.492 20 0 BCADRP COCCOC[C@@H](C)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895429913 583669293 /nfs/dbraw/zinc/66/92/93/583669293.db2.gz YWMAHKREDZZBCK-VXGBXAGGSA-N 2 0 232.368 0.968 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+]1CCCC1 ZINC000895685129 583709683 /nfs/dbraw/zinc/70/96/83/583709683.db2.gz KDUVPXSWGBIIQB-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000883428297 583808777 /nfs/dbraw/zinc/80/87/77/583808777.db2.gz QKWGFRRYUVAUAA-RHYQMDGZSA-N 2 0 227.327 0.370 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870941734 583932158 /nfs/dbraw/zinc/93/21/58/583932158.db2.gz YZRCVAJRFXTUFK-YFKTTZPYSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870983248 583933252 /nfs/dbraw/zinc/93/32/52/583933252.db2.gz UBTWLCKQPGZSDN-SDDRHHMPSA-N 2 0 239.363 0.666 20 0 BCADRP CON(C)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858431230 588954271 /nfs/dbraw/zinc/95/42/71/588954271.db2.gz RNKWKGOHUNYDMD-LLVKDONJSA-N 2 0 229.368 0.942 20 0 BCADRP C1O[C@H]2[C@H]([NH2+]C3CC[NH2+]CC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000873215423 584127361 /nfs/dbraw/zinc/12/73/61/584127361.db2.gz AFBCPSKRPFDNBV-XZPDDHLCSA-N 2 0 222.332 0.751 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC([NH+]3CCCC3)C2)C1 ZINC000898611010 584146057 /nfs/dbraw/zinc/14/60/57/584146057.db2.gz QMZFRAAADIYINT-LLVKDONJSA-N 2 0 237.347 0.245 20 0 BCADRP [NH3+]Cc1nccn1C[C@@H]1CCCC[NH2+]C1 ZINC000899632995 584221471 /nfs/dbraw/zinc/22/14/71/584221471.db2.gz KKZNZTLFMHQTBS-SNVBAGLBSA-N 2 0 208.309 0.732 20 0 BCADRP C[NH2+][C@@H](C)c1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000899740923 584233854 /nfs/dbraw/zinc/23/38/54/584233854.db2.gz LELUCHVVAJZHRN-QWRGUYRKSA-N 2 0 237.351 0.948 20 0 BCADRP C[N@H+](CC(=O)N1CCC[NH+](C)CC1)C1CCC1 ZINC000899936421 584258616 /nfs/dbraw/zinc/25/86/16/584258616.db2.gz VDKNFRDIMCUPFN-UHFFFAOYSA-N 2 0 239.363 0.635 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)Cc1c[nH]cn1 ZINC000900694472 584338874 /nfs/dbraw/zinc/33/88/74/584338874.db2.gz IRDQPEIBFJWPBR-VIFPVBQESA-N 2 0 224.308 0.409 20 0 BCADRP C[NH+](C)CCCCNC(=O)C[N@H+](C)C1CCC1 ZINC000900688703 584341282 /nfs/dbraw/zinc/34/12/82/584341282.db2.gz BNZHZBQWEOKRQV-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000900831622 584354810 /nfs/dbraw/zinc/35/48/10/584354810.db2.gz KCEDLNMJVPFPHL-UTUOFQBUSA-N 2 0 241.379 0.926 20 0 BCADRP OCc1cc(NCC[N@@H+]2CC[C@H](O)C2)cc[nH+]1 ZINC000858868520 588980307 /nfs/dbraw/zinc/98/03/07/588980307.db2.gz LSGHRHSYQJJMIW-LBPRGKRZSA-N 2 0 237.303 0.052 20 0 BCADRP C[N@H+]1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000901331233 584424953 /nfs/dbraw/zinc/42/49/53/584424953.db2.gz RLMFULWBUZKLKK-UHFFFAOYSA-N 2 0 249.358 0.460 20 0 BCADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)OCCF ZINC000858941652 588986627 /nfs/dbraw/zinc/98/66/27/588986627.db2.gz GVYAFKAKYFFCCB-UHFFFAOYSA-N 2 0 249.330 0.518 20 0 BCADRP C[NH+](C)C[C@H](O)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902365346 584573150 /nfs/dbraw/zinc/57/31/50/584573150.db2.gz ZGRIWBZLOIEINE-VXGBXAGGSA-N 2 0 243.395 0.277 20 0 BCADRP [NH3+]C1(CNC2CC[NH+](C3CC3)CC2)CC1 ZINC000902408525 584575374 /nfs/dbraw/zinc/57/53/74/584575374.db2.gz YTFUXBHPIXBGDR-UHFFFAOYSA-N 2 0 209.337 0.694 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@@H](NCC2([NH3+])CC2)C1 ZINC000902410194 584575751 /nfs/dbraw/zinc/57/57/51/584575751.db2.gz PXPULTFDPXYSLB-VHSXEESVSA-N 2 0 211.353 0.973 20 0 BCADRP COCC[C@H](CO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902383269 584577225 /nfs/dbraw/zinc/57/72/25/584577225.db2.gz KKLZPFGMDVSKPY-VXGBXAGGSA-N 2 0 244.379 0.752 20 0 BCADRP CC1(C)C[NH2+]CC[C@H](NCC2C[NH2+]C2)C1 ZINC000902394406 584584454 /nfs/dbraw/zinc/58/44/54/584584454.db2.gz VTKWWUYHGCYPKK-NSHDSACASA-N 2 0 211.353 0.574 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2COCCN2)C1 ZINC000902397024 584585614 /nfs/dbraw/zinc/58/56/14/584585614.db2.gz LUVTUYHBMIRFBM-RYUDHWBXSA-N 2 0 241.379 0.343 20 0 BCADRP NOCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000902415417 584589587 /nfs/dbraw/zinc/58/95/87/584589587.db2.gz NOTVPLWVLDQECF-UTUOFQBUSA-N 2 0 227.352 0.777 20 0 BCADRP CC[N@@H+]1CC[C@@H](NCC2([NH3+])CC2)[C@@H](C)C1 ZINC000902416943 584590933 /nfs/dbraw/zinc/59/09/33/584590933.db2.gz PWVDGRHAPISZHQ-WDEREUQCSA-N 2 0 211.353 0.798 20 0 BCADRP COC[C@@H](CCC[NH3+])N[C@@H]1C[NH2+]CC1(C)C ZINC000902440826 584597004 /nfs/dbraw/zinc/59/70/04/584597004.db2.gz APBPXNRDBSSDRY-GHMZBOCLSA-N 2 0 229.368 0.328 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902442034 584597623 /nfs/dbraw/zinc/59/76/23/584597623.db2.gz HFEKEIZZWZHGCN-HBNTYKKESA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902441581 584597658 /nfs/dbraw/zinc/59/76/58/584597658.db2.gz FEPYIVSFPCNKOL-GMTAPVOTSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902441625 584597762 /nfs/dbraw/zinc/59/77/62/584597762.db2.gz FISDYYUULWIHAE-FIQHERPVSA-N 2 0 241.379 0.326 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902479489 584603883 /nfs/dbraw/zinc/60/38/83/584603883.db2.gz YGAZXIAANRDVGD-IJLUTSLNSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@H](N[C@@H]1C[NH2+]CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000902447524 584604786 /nfs/dbraw/zinc/60/47/86/584604786.db2.gz YWOCETAANTVBSA-GARJFASQSA-N 2 0 211.353 0.715 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000902447252 584604939 /nfs/dbraw/zinc/60/49/39/584604939.db2.gz XOMKJMYJSBTVEL-LOWDOPEQSA-N 3 0 237.391 0.962 20 0 BCADRP CC1(C)CC[N@H+](CCN[C@@H]2C[NH2+]CCOC2)C1 ZINC000902456609 584609923 /nfs/dbraw/zinc/60/99/23/584609923.db2.gz OZWVMWKQRJQEHC-GFCCVEGCSA-N 2 0 241.379 0.296 20 0 BCADRP [NH3+][C@H]1CCC[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902460308 584611773 /nfs/dbraw/zinc/61/17/73/584611773.db2.gz GQEAVMQYZNFKJJ-KKJSVHSVSA-N 2 0 209.337 0.739 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902462674 584612391 /nfs/dbraw/zinc/61/23/91/584612391.db2.gz XIHSDMYJGSSYQQ-NNYUYHANSA-N 3 0 211.353 0.986 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902465718 584613882 /nfs/dbraw/zinc/61/38/82/584613882.db2.gz IEBJETQWYGDTJQ-RNWYCLNJSA-N 2 0 209.337 0.467 20 0 BCADRP C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1CCCC[NH2+]1 ZINC000902468845 584615856 /nfs/dbraw/zinc/61/58/56/584615856.db2.gz WTXUJTNNOVOKHJ-NAWOPXAZSA-N 2 0 223.364 1.000 20 0 BCADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cnccc1N ZINC000902490182 584617399 /nfs/dbraw/zinc/61/73/99/584617399.db2.gz UICNANQNKNOUJO-GUBZILKMSA-N 2 0 220.320 0.882 20 0 BCADRP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CN1C1CC1 ZINC000902490014 584617664 /nfs/dbraw/zinc/61/76/64/584617664.db2.gz QWQYADWYDALIPX-BJDJZHNGSA-N 2 0 223.364 0.939 20 0 BCADRP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1CCOC1 ZINC000902471736 584617709 /nfs/dbraw/zinc/61/77/09/584617709.db2.gz RRHXZXKZHCPTAF-KKJSVHSVSA-N 2 0 210.321 0.894 20 0 BCADRP COC[C@@H](O)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000902513362 584623540 /nfs/dbraw/zinc/62/35/40/584623540.db2.gz FRLYKHASCNYFMV-AXFHLTTASA-N 2 0 216.325 0.243 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CC[C@@H](O)C1CC1 ZINC000902506067 584621642 /nfs/dbraw/zinc/62/16/42/584621642.db2.gz WHPNALGOVNWXTO-VXGBXAGGSA-N 2 0 230.352 0.491 20 0 BCADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccnn1C ZINC000902484636 584625001 /nfs/dbraw/zinc/62/50/01/584625001.db2.gz GNVPSMCBSQVPDR-OPRDCNLKSA-N 2 0 208.309 0.808 20 0 BCADRP COC[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)C1CCOCC1 ZINC000902485386 584625003 /nfs/dbraw/zinc/62/50/03/584625003.db2.gz KELVPSMQYDIYMB-RAIGVLPGSA-N 2 0 242.363 0.755 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000902485995 584625535 /nfs/dbraw/zinc/62/55/35/584625535.db2.gz DSKWPCYBTJRRGC-FDYHWXHSSA-N 3 0 223.364 0.940 20 0 BCADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1)[NH2+]2 ZINC000902487537 584626244 /nfs/dbraw/zinc/62/62/44/584626244.db2.gz JRMBEVVDXBYPRZ-MCDVFOBDSA-N 3 0 223.364 0.842 20 0 BCADRP CCn1cnc(C[NH2+]CCOCC[NH+](C)C)c1 ZINC000902487683 584626412 /nfs/dbraw/zinc/62/64/12/584626412.db2.gz LUUHPMUYWQLCRV-UHFFFAOYSA-N 2 0 240.351 0.571 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000902488235 584627028 /nfs/dbraw/zinc/62/70/28/584627028.db2.gz MKRAYYLUOKUCTG-CCKSWGLSSA-N 3 0 221.348 0.310 20 0 BCADRP CCN1CCC([NH2+][C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000902489405 584627198 /nfs/dbraw/zinc/62/71/98/584627198.db2.gz QFTJFIWBRIMWDR-UMSPYCQHSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000902489541 584627676 /nfs/dbraw/zinc/62/76/76/584627676.db2.gz RBMJDPWAGKHHEM-DDHJBXDOSA-N 2 0 211.353 0.844 20 0 BCADRP CC(C)C[C@@H](C[NH+](C)C)N[C@H]1C[NH2+]CCOC1 ZINC000902515928 584630112 /nfs/dbraw/zinc/63/01/12/584630112.db2.gz ZEVXOJNIUGIWQR-STQMWFEESA-N 2 0 243.395 0.541 20 0 BCADRP C[C@H](C[NH2+][C@@H]1CCO[C@@]12CCOC2)C[NH+](C)C ZINC000903174918 584732494 /nfs/dbraw/zinc/73/24/94/584732494.db2.gz PCQOAVXWYSIPCX-JHJVBQTASA-N 2 0 242.363 0.722 20 0 BCADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCCNC1=O ZINC000903433234 584762202 /nfs/dbraw/zinc/76/22/02/584762202.db2.gz WKWDBTOKCDTEOX-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP C([C@H]1CCC[NH2+]1)N(C1CC1)C1CC[NH2+]CC1 ZINC000903420619 584763744 /nfs/dbraw/zinc/76/37/44/584763744.db2.gz FCQAATPIACWIBR-LLVKDONJSA-N 2 0 223.364 0.955 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCSC[C@@H]1CCO ZINC000903441393 584763760 /nfs/dbraw/zinc/76/37/60/584763760.db2.gz QDLMLVJZSFFKRJ-WOPDTQHZSA-N 2 0 244.404 0.642 20 0 BCADRP CON1CC[C@@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)C1=O ZINC000903423639 584764191 /nfs/dbraw/zinc/76/41/91/584764191.db2.gz ZBQLQCOBQAGXGJ-MWLCHTKSSA-N 2 0 241.335 0.208 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903422837 584764781 /nfs/dbraw/zinc/76/47/81/584764781.db2.gz JSAARLMMWFNUFT-ZYHUDNBSSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903424971 584765277 /nfs/dbraw/zinc/76/52/77/584765277.db2.gz NPJJDXGJQDOLIZ-XQHKEYJVSA-N 2 0 225.380 0.901 20 0 BCADRP [NH3+][C@@H]1CC[C@H](CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903424941 584765308 /nfs/dbraw/zinc/76/53/08/584765308.db2.gz MNLACQVPEFMAPN-LOWDOPEQSA-N 2 0 223.364 0.940 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000903458891 584765718 /nfs/dbraw/zinc/76/57/18/584765718.db2.gz MKPDSNSECCTTJS-NDBYEHHHSA-N 2 0 225.380 0.759 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000903458892 584766095 /nfs/dbraw/zinc/76/60/95/584766095.db2.gz MKPDSNSECCTTJS-RNJOBUHISA-N 2 0 225.380 0.759 20 0 BCADRP [NH3+][C@@]12CCC[C@@H]1CN(C[C@H]1CCC[NH2+]1)C2 ZINC000903464501 584766795 /nfs/dbraw/zinc/76/67/95/584766795.db2.gz PTMFHCRNSSCAHM-IJLUTSLNSA-N 2 0 209.337 0.552 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(CCOC1CC1)C2 ZINC000903464206 584767026 /nfs/dbraw/zinc/76/70/26/584767026.db2.gz DFGKYCSDNMUSIQ-JQWIXIFHSA-N 2 0 210.321 0.979 20 0 BCADRP [NH3+]CC12CC(C1)C[N@@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903464085 584767285 /nfs/dbraw/zinc/76/72/85/584767285.db2.gz YUFKSIADGNFTKW-ZYGVAYEYSA-N 3 0 209.337 0.537 20 0 BCADRP CN(C[C@@H]1CC[C@H]([NH3+])C1)[C@@H](C[NH3+])C(F)(F)F ZINC000903464211 584767437 /nfs/dbraw/zinc/76/74/37/584767437.db2.gz DGDPWIMVJDGYBS-VGMNWLOBSA-N 2 0 239.285 0.935 20 0 BCADRP CC(C)(CO)[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903443995 584768541 /nfs/dbraw/zinc/76/85/41/584768541.db2.gz MGFABYPSKILUED-GFCCVEGCSA-N 2 0 241.379 0.127 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000903445208 584769444 /nfs/dbraw/zinc/76/94/44/584769444.db2.gz HRPFJTCOFRFGLU-NTZNESFSSA-N 2 0 223.364 0.668 20 0 BCADRP C([C@H]1CCC[NH2+]1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000903445980 584769988 /nfs/dbraw/zinc/76/99/88/584769988.db2.gz PYJCCKZUVKELLI-ZYHUDNBSSA-N 2 0 209.337 0.565 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903447399 584770441 /nfs/dbraw/zinc/77/04/41/584770441.db2.gz QVDWSIQQDRUALE-KXNHARMFSA-N 2 0 211.353 0.511 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C[C@H]3CCC[NH2+]3)C[C@@H]21 ZINC000903447148 584770584 /nfs/dbraw/zinc/77/05/84/584770584.db2.gz GXPCBNRHXPFXEI-FVCCEPFGSA-N 2 0 223.364 0.798 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2CN(C[C@H]3CCC[NH2+]3)C[C@H]21 ZINC000903447150 584770621 /nfs/dbraw/zinc/77/06/21/584770621.db2.gz GXPCBNRHXPFXEI-UMSGYPCISA-N 2 0 223.364 0.798 20 0 BCADRP CC[C@@H]1CN(C[C@H]2CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000903449463 584771574 /nfs/dbraw/zinc/77/15/74/584771574.db2.gz CBKUKIXLMGEBGZ-IJLUTSLNSA-N 2 0 211.353 0.798 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000903452450 584771997 /nfs/dbraw/zinc/77/19/97/584771997.db2.gz MOEQNSYQQYMVLK-IJLUTSLNSA-N 2 0 209.337 0.422 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@@H](C[NH3+])C1CC1 ZINC000903452215 584772144 /nfs/dbraw/zinc/77/21/44/584772144.db2.gz JHQQYMTYIYYCJV-USWWRNFRSA-N 2 0 211.353 0.511 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC[C@H]1CCC[NH2+]1 ZINC000903454971 584773540 /nfs/dbraw/zinc/77/35/40/584773540.db2.gz PFDWXNROXKOWAA-WRWGMCAJSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]2)[C@@H](C)C[N@@H+]1C ZINC000903455329 584773965 /nfs/dbraw/zinc/77/39/65/584773965.db2.gz UNPIDHGYNNUFFS-GRYCIOLGSA-N 2 0 211.353 0.763 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@H]1CCC[NH2+]1 ZINC000903455330 584774301 /nfs/dbraw/zinc/77/43/01/584774301.db2.gz UNPIDHGYNNUFFS-IJLUTSLNSA-N 2 0 211.353 0.763 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC[C@H]1CCC[NH2+]1 ZINC000903455164 584774372 /nfs/dbraw/zinc/77/43/72/584774372.db2.gz SAFGUSVPPPVBRB-MNOVXSKESA-N 2 0 211.353 0.716 20 0 BCADRP C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCC[NH2+]1 ZINC000903472607 584775940 /nfs/dbraw/zinc/77/59/40/584775940.db2.gz SWXBGEUJIUEITG-GHMZBOCLSA-N 2 0 209.337 0.613 20 0 BCADRP COC[C@]1(C)C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903473942 584776320 /nfs/dbraw/zinc/77/63/20/584776320.db2.gz CLLLIVIPMSMUML-AGIUHOORSA-N 2 0 242.363 0.851 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@H]1CCC[NH2+]1)C2 ZINC000903474278 584776665 /nfs/dbraw/zinc/77/66/65/584776665.db2.gz LAOZAWZAWWIBMC-UPJWGTAASA-N 2 0 223.364 0.670 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(CO)(CO)CC2)C1 ZINC000903479655 584777968 /nfs/dbraw/zinc/77/79/68/584777968.db2.gz UVJMRBOQQRIBHO-NWDGAFQWSA-N 2 0 242.363 0.181 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903477308 584778025 /nfs/dbraw/zinc/77/80/25/584778025.db2.gz XXSGBANWUBBTBD-KXNHARMFSA-N 2 0 209.337 0.278 20 0 BCADRP C(N[C@H]1CC[NH2+]C12CCCC2)[C@@H]1C[NH2+]CCO1 ZINC000903482250 584778483 /nfs/dbraw/zinc/77/84/83/584778483.db2.gz ZUNOBNDZCPJHCA-RYUDHWBXSA-N 2 0 239.363 0.239 20 0 BCADRP CON1CC[C@@H]([N@H+](C)CCCCCC[NH3+])C1=O ZINC000903482691 584778528 /nfs/dbraw/zinc/77/85/28/584778528.db2.gz PEXASRWXNKYBHG-LLVKDONJSA-N 2 0 243.351 0.600 20 0 BCADRP C(N[C@H]1CC[NH2+]C12CCCC2)[C@H]1C[NH2+]CCO1 ZINC000903482248 584778892 /nfs/dbraw/zinc/77/88/92/584778892.db2.gz ZUNOBNDZCPJHCA-NEPJUHHUSA-N 2 0 239.363 0.239 20 0 BCADRP C(N[C@@H]1CC[NH2+]C12CCCC2)[C@@H]1CC[NH2+]C1 ZINC000903483661 584779347 /nfs/dbraw/zinc/77/93/47/584779347.db2.gz JESTWQFLRSPILV-VXGBXAGGSA-N 2 0 223.364 0.860 20 0 BCADRP CCOC(=O)CC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499173 584780335 /nfs/dbraw/zinc/78/03/35/584780335.db2.gz IIXHKRFCEQILGD-GHMZBOCLSA-N 2 0 228.336 0.856 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CC[NH3+] ZINC000903497480 584780761 /nfs/dbraw/zinc/78/07/61/584780761.db2.gz ZECHQANFWPPJCS-DGCLKSJQSA-N 2 0 249.358 0.802 20 0 BCADRP CCCC[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903490958 584780835 /nfs/dbraw/zinc/78/08/35/584780835.db2.gz OSWHRFWWNBWKRV-LOWVWBTDSA-N 2 0 240.347 0.999 20 0 BCADRP CC(C)OC(=O)CCN1C[C@H]([NH3+])C(C)(C)C1 ZINC000903557276 584782888 /nfs/dbraw/zinc/78/28/88/584782888.db2.gz MNNJUAJDROLKQZ-JTQLQIEISA-N 2 0 228.336 0.997 20 0 BCADRP C[C@H]1CN(CCN2C[C@@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903556781 584783300 /nfs/dbraw/zinc/78/33/00/584783300.db2.gz DTUOINSTZZAWGF-NWDGAFQWSA-N 2 0 241.379 0.376 20 0 BCADRP C[C@@H]1CN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC[NH2+]1 ZINC000903716394 584791595 /nfs/dbraw/zinc/79/15/95/584791595.db2.gz LWYMPBCYEKCPEQ-UPJWGTAASA-N 2 0 239.363 0.049 20 0 BCADRP CN(C[C@H]1CCCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000903716784 584791755 /nfs/dbraw/zinc/79/17/55/584791755.db2.gz SAHLSESGEYQWGU-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000903717272 584792255 /nfs/dbraw/zinc/79/22/55/584792255.db2.gz MCBKLJQNNCPGRI-XQHKEYJVSA-N 2 0 242.363 0.753 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC[C@@H](O)C[NH+]1CCCC1 ZINC000903718111 584792560 /nfs/dbraw/zinc/79/25/60/584792560.db2.gz ZVMOAAUFXVLCCA-CHWSQXEVSA-N 2 0 243.395 0.406 20 0 BCADRP CC[N@H+](CCCO)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903732595 584792955 /nfs/dbraw/zinc/79/29/55/584792955.db2.gz GRQJPWQFXKPTSR-OLZOCXBDSA-N 2 0 242.363 0.459 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903713638 584793348 /nfs/dbraw/zinc/79/33/48/584793348.db2.gz YLZXNIAFYFZMCF-AGIUHOORSA-N 2 0 239.363 0.049 20 0 BCADRP C[NH2+][C@@H]1CCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903713508 584793650 /nfs/dbraw/zinc/79/36/50/584793650.db2.gz UEIJHEYHHDJBEM-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP C([C@@H]1CCCC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903746843 584794701 /nfs/dbraw/zinc/79/47/01/584794701.db2.gz MAKPLLFNDTYQGC-UPJWGTAASA-N 2 0 223.364 0.527 20 0 BCADRP COCC(COC)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000903752012 584795348 /nfs/dbraw/zinc/79/53/48/584795348.db2.gz OJIPQDAOGIVZCT-ZDUSSCGKSA-N 2 0 242.363 0.723 20 0 BCADRP OC[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903753069 584795978 /nfs/dbraw/zinc/79/59/78/584795978.db2.gz ZOMZHRSFTHTGBK-YNEHKIRRSA-N 2 0 240.347 0.212 20 0 BCADRP [NH3+]C1(CNC[C@H]2CCCC[NH2+]C2)CCC1 ZINC000903743457 584796458 /nfs/dbraw/zinc/79/64/58/584796458.db2.gz LKBQZEUIPKVULZ-NSHDSACASA-N 2 0 211.353 0.847 20 0 BCADRP CC1CC(C[NH+]2CCC(O)(C[NH3+])CC2)C1 ZINC000903760366 584797654 /nfs/dbraw/zinc/79/76/54/584797654.db2.gz GHQOPROIQFZUSH-UHFFFAOYSA-N 2 0 212.337 0.818 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903769587 584798290 /nfs/dbraw/zinc/79/82/90/584798290.db2.gz JWNAHRXMSWZQNE-ZDUSSCGKSA-N 3 0 243.395 0.544 20 0 BCADRP [NH3+]C[C@]12CC[C@@H]1CCCN2C[C@H]1CC[NH2+]C1 ZINC000903795607 584800924 /nfs/dbraw/zinc/80/09/24/584800924.db2.gz NSKUSAXQBCLQKX-RWMBFGLXSA-N 2 0 223.364 0.799 20 0 BCADRP C[C@H](O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819914 584803226 /nfs/dbraw/zinc/80/32/26/584803226.db2.gz QCESVXVHSVMBSX-NSHDSACASA-N 2 0 228.336 0.212 20 0 BCADRP CN(CCC[NH2+]C1CC1)C1(C[NH3+])CCOCC1 ZINC000903809501 584803402 /nfs/dbraw/zinc/80/34/02/584803402.db2.gz ATXYGMRMRHFYOO-UHFFFAOYSA-N 2 0 241.379 0.568 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000903821277 584803835 /nfs/dbraw/zinc/80/38/35/584803835.db2.gz JABILLOLQAWFOI-LLVKDONJSA-N 3 0 211.353 0.574 20 0 BCADRP Cc1noc(C[C@@H]2CCC[N@H+](CCC[NH3+])C2)n1 ZINC000903823033 584804467 /nfs/dbraw/zinc/80/44/67/584804467.db2.gz BQLBNPVGUHFGPB-NSHDSACASA-N 2 0 238.335 0.981 20 0 BCADRP CC[N@H+](CCC[NH2+]C1CC1)CCC(=O)NC ZINC000903825912 584804500 /nfs/dbraw/zinc/80/45/00/584804500.db2.gz DZYBNQLQWMROTI-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP CC[N@H+](CCC(=O)NC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903827223 584804843 /nfs/dbraw/zinc/80/48/43/584804843.db2.gz QRTFMNHPYZBHNJ-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP NC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000903826322 584804994 /nfs/dbraw/zinc/80/49/94/584804994.db2.gz IELMYXWXOBCUSM-GVXVVHGQSA-N 2 0 237.347 0.183 20 0 BCADRP O[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]1F ZINC000903839224 584807013 /nfs/dbraw/zinc/80/70/13/584807013.db2.gz JCXZKJIBYOWDCH-GARJFASQSA-N 2 0 216.300 0.391 20 0 BCADRP COCC[C@@H]1C[NH2+]CCN1CCC[NH2+]C1CC1 ZINC000903838808 584807347 /nfs/dbraw/zinc/80/73/47/584807347.db2.gz FHNXHPQPWZTPSX-CYBMUJFWSA-N 2 0 241.379 0.439 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000903842964 584807511 /nfs/dbraw/zinc/80/75/11/584807511.db2.gz YWHJGLPTXDOVSE-VOAKCMCISA-N 3 0 223.364 0.798 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000903843335 584807648 /nfs/dbraw/zinc/80/76/48/584807648.db2.gz IVKVHMLOWMOWIS-YFKTTZPYSA-N 3 0 209.337 0.408 20 0 BCADRP [NH3+]C[C@]12CC[C@@H]1CCN2C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000903859914 584811721 /nfs/dbraw/zinc/81/17/21/584811721.db2.gz PXKBOJPMTXOPCO-NOOOWODRSA-N 2 0 227.327 0.500 20 0 BCADRP [NH3+]C[C@]12CC[C@H]1CCN2C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000903859913 584811762 /nfs/dbraw/zinc/81/17/62/584811762.db2.gz PXKBOJPMTXOPCO-FIQHERPVSA-N 2 0 227.327 0.500 20 0 BCADRP COCC[N@H+](CCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903890583 584813838 /nfs/dbraw/zinc/81/38/38/584813838.db2.gz FPMWTACCRQHSOX-YHWZYXNKSA-N 2 0 242.363 0.458 20 0 BCADRP C(C[N@@H+]1CCC[C@]12CC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000903869889 584814293 /nfs/dbraw/zinc/81/42/93/584814293.db2.gz KFVOMNYXKXYLHL-QWHCGFSZSA-N 3 0 223.364 0.814 20 0 BCADRP O[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872004 584814935 /nfs/dbraw/zinc/81/49/35/584814935.db2.gz ACKKYHYKGVEFRQ-WVMKXHBISA-N 2 0 224.348 0.974 20 0 BCADRP [NH3+]C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903873877 584815767 /nfs/dbraw/zinc/81/57/67/584815767.db2.gz NAILQUXYDCTJQN-VGPLMAKISA-N 3 0 223.364 0.940 20 0 BCADRP C[C@@H]1[NH2+]CCN(C[C@H]([NH3+])CC(F)F)[C@H]1C ZINC000903874173 584815842 /nfs/dbraw/zinc/81/58/42/584815842.db2.gz UNBFBCOYUYJEGQ-XHNCKOQMSA-N 2 0 221.295 0.651 20 0 BCADRP C[C@H](CN)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903874223 584815869 /nfs/dbraw/zinc/81/58/69/584815869.db2.gz VNQQSZAKYCPLDG-WAAKLRNESA-N 2 0 211.353 0.796 20 0 BCADRP C[N@H+](CCC[NH3+])CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903874222 584815891 /nfs/dbraw/zinc/81/58/91/584815891.db2.gz VNFAFLCLXVYREO-YOGCLGLASA-N 2 0 211.353 0.798 20 0 BCADRP C[C@H]1CN(C[C@@H]([NH3+])CC(F)F)CC[NH2+]1 ZINC000903873705 584815896 /nfs/dbraw/zinc/81/58/96/584815896.db2.gz KXBRTXUGAGXYJQ-YUMQZZPRSA-N 2 0 207.268 0.263 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873309 584815917 /nfs/dbraw/zinc/81/59/17/584815917.db2.gz GVSZTUFDKSFMIB-BBBLOLIVSA-N 2 0 233.306 0.795 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873512 584816043 /nfs/dbraw/zinc/81/60/43/584816043.db2.gz IZEIIAIFIDDISW-WODVXLOZSA-N 3 0 223.364 0.798 20 0 BCADRP C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000903873976 584816206 /nfs/dbraw/zinc/81/62/06/584816206.db2.gz PRVYYGWLRWVAHE-ODWCKFRGSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@H]1C(=O)NCCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903875560 584816487 /nfs/dbraw/zinc/81/64/87/584816487.db2.gz QSDKAPBGMIXDDX-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP COC[C@H]1C[NH2+]CCN1CC[C@H]1CCC[NH2+]C1 ZINC000903880434 584817456 /nfs/dbraw/zinc/81/74/56/584817456.db2.gz IFTHCUPTLQUAHW-CHWSQXEVSA-N 2 0 241.379 0.296 20 0 BCADRP C[C@H](O)C(C)(C)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903902524 584820979 /nfs/dbraw/zinc/82/09/79/584820979.db2.gz IPNRQNPAFGEOAW-NKWVEPMBSA-N 2 0 210.268 0.718 20 0 BCADRP C([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]1 ZINC000903918408 584822332 /nfs/dbraw/zinc/82/23/32/584822332.db2.gz YVLNIQCQHSFREH-PSEXLTFBSA-N 3 0 223.364 0.859 20 0 BCADRP CC[C@H]([NH3+])C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918721 584822626 /nfs/dbraw/zinc/82/26/26/584822626.db2.gz GEVQPDYFUMPMBB-HSTDOPHLSA-N 3 0 211.353 0.844 20 0 BCADRP [NH3+][C@@H](CN[C@@H]1C[NH2+]CCC1(F)F)CC(F)F ZINC000903918633 584822653 /nfs/dbraw/zinc/82/26/53/584822653.db2.gz DAPKAFVMVNNXIR-RNFRBKRXSA-N 2 0 243.248 0.556 20 0 BCADRP C[C@H]([NH3+])[C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920985 584823098 /nfs/dbraw/zinc/82/30/98/584823098.db2.gz ZGCITCNYTBJHDE-QUDJTUOCSA-N 3 0 211.353 0.842 20 0 BCADRP [NH3+][C@H](CN[C@H]1CCCC[NH2+]C1)CC(F)F ZINC000903920765 584823324 /nfs/dbraw/zinc/82/33/24/584823324.db2.gz WYYCKFVRGYWNPG-IUCAKERBSA-N 2 0 221.295 0.701 20 0 BCADRP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903923578 584823812 /nfs/dbraw/zinc/82/38/12/584823812.db2.gz XQLKIFGBAUEYQR-IUCAKERBSA-N 2 0 232.278 0.844 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000903929172 584824206 /nfs/dbraw/zinc/82/42/06/584824206.db2.gz BIKWQMBVMXQJNP-GXSJLCMTSA-N 2 0 233.306 0.797 20 0 BCADRP C[NH2+]C[C@@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903932724 584824721 /nfs/dbraw/zinc/82/47/21/584824721.db2.gz GBLJLXKKQZJPPG-WAAKLRNESA-N 3 0 211.353 0.715 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@H]([NH3+])CC(F)F)C2 ZINC000903935843 584825437 /nfs/dbraw/zinc/82/54/37/584825437.db2.gz ULMUZWYKLOSKJM-JLLWLGSASA-N 2 0 247.333 0.900 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C[C@@H]([NH3+])CC(F)F)CC[C@@H]21 ZINC000903937406 584826355 /nfs/dbraw/zinc/82/63/55/584826355.db2.gz KEVAYWSPTZQGPA-VWYCJHECSA-N 2 0 247.333 0.995 20 0 BCADRP CN(C)c1ncc(C[NH2+]CCC(C)(C)[NH3+])cn1 ZINC000903938450 584826558 /nfs/dbraw/zinc/82/65/58/584826558.db2.gz BFORUXHNDDRJFB-UHFFFAOYSA-N 2 0 237.351 0.760 20 0 BCADRP C[NH2+]CCC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918104 584826931 /nfs/dbraw/zinc/82/69/31/584826931.db2.gz RVLLLKQQRDSCTI-YOGCLGLASA-N 3 0 211.353 0.716 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000903918129 584827019 /nfs/dbraw/zinc/82/70/19/584827019.db2.gz SWZOFWWIYOKEGS-GXSJLCMTSA-N 2 0 233.306 0.654 20 0 BCADRP C[NH2+]CCNCc1cccc2c1CC[NH2+]C2 ZINC000903918150 584827225 /nfs/dbraw/zinc/82/72/25/584827225.db2.gz TZQOWEFNQUUPEL-UHFFFAOYSA-N 2 0 219.332 0.641 20 0 BCADRP [NH3+][C@@H](CNC[C@@H]1CCC[NH2+]1)CC(F)F ZINC000903918019 584827331 /nfs/dbraw/zinc/82/73/31/584827331.db2.gz QIOAGJLMVLFVME-SFYZADRCSA-N 2 0 207.268 0.311 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000903958007 584827852 /nfs/dbraw/zinc/82/78/52/584827852.db2.gz VOGKYZAUFGPALR-AXFHLTTASA-N 2 0 247.333 0.819 20 0 BCADRP Nc1cc[nH+]c(CNC[C@H]([NH3+])CC(F)F)c1 ZINC000903953313 584831495 /nfs/dbraw/zinc/83/14/95/584831495.db2.gz CRRPAJBXSWLVGA-MRVPVSSYSA-N 2 0 230.262 0.736 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](NCc2cc(N)cc[nH+]2)C1 ZINC000903953321 584831642 /nfs/dbraw/zinc/83/16/42/584831642.db2.gz CXOMEEKTLAHJJX-ONGXEEELSA-N 2 0 220.320 0.751 20 0 BCADRP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956235 584832120 /nfs/dbraw/zinc/83/21/20/584832120.db2.gz JMXTXGMMPBXGIM-LPEHRKFASA-N 2 0 234.290 0.998 20 0 BCADRP FC1(F)CC[NH2+]C[C@H]1CNCC12CC(C1)C[NH2+]2 ZINC000903956111 584832136 /nfs/dbraw/zinc/83/21/36/584832136.db2.gz HABWQRTWRHZOTQ-YVNMAJEFSA-N 2 0 245.317 0.573 20 0 BCADRP C[NH+]1CCC(NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903956699 584832149 /nfs/dbraw/zinc/83/21/49/584832149.db2.gz NBWOCHVITATVEL-JTQLQIEISA-N 2 0 247.333 0.915 20 0 BCADRP Nc1cc[nH+]c(CNC2CC[NH2+]CC2)c1 ZINC000903954979 584832277 /nfs/dbraw/zinc/83/22/77/584832277.db2.gz XFZBQKIWDMTPNF-UHFFFAOYSA-N 2 0 206.293 0.505 20 0 BCADRP FC1(F)CC[NH2+]C[C@@H]1CNC1CC[NH2+]CC1 ZINC000903956122 584832336 /nfs/dbraw/zinc/83/23/36/584832336.db2.gz HGFPMXIJIMCWOS-SECBINFHSA-N 2 0 233.306 0.573 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CCN(C)CC1 ZINC000903974131 584832654 /nfs/dbraw/zinc/83/26/54/584832654.db2.gz JOPCUJZDCRVYPM-VXGBXAGGSA-N 2 0 225.380 0.916 20 0 BCADRP C1C[C@@H](N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C[NH2+]1 ZINC000903970136 584832675 /nfs/dbraw/zinc/83/26/75/584832675.db2.gz QUIGXPODBGGTKT-NEPJUHHUSA-N 2 0 239.363 0.097 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C[C@H]1CC[NH3+] ZINC000903978097 584832895 /nfs/dbraw/zinc/83/28/95/584832895.db2.gz FJFWHCFTDVQIBU-LPWJVIDDSA-N 3 0 223.364 0.513 20 0 BCADRP CC[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000903963863 584834244 /nfs/dbraw/zinc/83/42/44/584834244.db2.gz IANKLUDQANPRPV-FVCCEPFGSA-N 2 0 225.380 0.914 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]CC1=CCCOC1 ZINC000903967032 584834527 /nfs/dbraw/zinc/83/45/27/584834527.db2.gz DVAIEUHUJDEASY-PWSUYJOCSA-N 2 0 210.321 0.778 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000903965107 584834673 /nfs/dbraw/zinc/83/46/73/584834673.db2.gz VJBXDAITKJEKFJ-MFKMUULPSA-N 2 0 247.342 0.731 20 0 BCADRP CC(C)C[C@H]([NH3+])CNC[C@@H]1C[NH2+]C[C@H]1C ZINC000903968170 584834966 /nfs/dbraw/zinc/83/49/66/584834966.db2.gz RDIIMAZPPANFJO-WOPDTQHZSA-N 2 0 213.369 0.805 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000903967972 584835083 /nfs/dbraw/zinc/83/50/83/584835083.db2.gz OBCDLNKJQUSMAS-XQHKEYJVSA-N 3 0 225.380 0.820 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc(N)s1 ZINC000903968709 584835155 /nfs/dbraw/zinc/83/51/55/584835155.db2.gz ZUODZEQYJVRLJJ-SFYZADRCSA-N 2 0 226.349 0.670 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000903967697 584835158 /nfs/dbraw/zinc/83/51/58/584835158.db2.gz KXZYDDHUOXTUEC-GRYCIOLGSA-N 2 0 212.337 0.858 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CNC[C@]1(C)CC[NH2+]C1 ZINC000903967517 584835212 /nfs/dbraw/zinc/83/52/12/584835212.db2.gz KGWWZFMTONKQJW-GRYCIOLGSA-N 2 0 211.353 0.431 20 0 BCADRP C[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](N)C2)CC[NH2+]1 ZINC000903984520 584835362 /nfs/dbraw/zinc/83/53/62/584835362.db2.gz FWGVDFJMGSWUFY-SRVKXCTJSA-N 2 0 211.353 0.798 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000903986286 584835412 /nfs/dbraw/zinc/83/54/12/584835412.db2.gz IPRBCMWNVZJGDB-QWRGUYRKSA-N 2 0 213.369 0.886 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299899 584860433 /nfs/dbraw/zinc/86/04/33/584860433.db2.gz QWYALPGGHDZLFD-WYUUTHIRSA-N 2 0 211.353 0.783 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(N)nn2)CC1 ZINC000904299440 584860501 /nfs/dbraw/zinc/86/05/01/584860501.db2.gz DOBZHUOSJFNEMN-SECBINFHSA-N 2 0 235.335 0.618 20 0 BCADRP C[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1CN ZINC000904299775 584860693 /nfs/dbraw/zinc/86/06/93/584860693.db2.gz OBYASOOLPAVSCK-YFKTTZPYSA-N 2 0 211.353 0.783 20 0 BCADRP C[C@]1(CN2CC[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904300018 584860884 /nfs/dbraw/zinc/86/08/84/584860884.db2.gz UKBJMZBEXMAEJW-RYUDHWBXSA-N 2 0 211.353 0.657 20 0 BCADRP CC(C)NC(=O)CN(C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904304148 584861839 /nfs/dbraw/zinc/86/18/39/584861839.db2.gz SNXPVMIXHYBTMK-ZDUSSCGKSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC3(C2)OCCO3)C1 ZINC000904315363 584863237 /nfs/dbraw/zinc/86/32/37/584863237.db2.gz APRCDWNCHAYARG-AOOOYVTPSA-N 2 0 212.293 0.173 20 0 BCADRP NC(=O)CC[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314382 584863599 /nfs/dbraw/zinc/86/35/99/584863599.db2.gz VRTRFBVCUSSDQS-SDDRHHMPSA-N 2 0 239.363 0.701 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](CCO)C2)C1 ZINC000904318492 584863921 /nfs/dbraw/zinc/86/39/21/584863921.db2.gz QUDVOZWZRZMDFG-SDDRHHMPSA-N 2 0 212.337 0.818 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C3OCCO3)C2)C1 ZINC000904316923 584864355 /nfs/dbraw/zinc/86/43/55/584864355.db2.gz SCPLPNTWGBODFN-UTUOFQBUSA-N 2 0 240.347 0.809 20 0 BCADRP CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321840 584864428 /nfs/dbraw/zinc/86/44/28/584864428.db2.gz HWKOTUGDRPLHKL-MXWKQRLJSA-N 2 0 248.392 0.479 20 0 BCADRP C[C@@H](O)C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321886 584864505 /nfs/dbraw/zinc/86/45/05/584864505.db2.gz JLXMDOIDTUZECE-WYUUTHIRSA-N 2 0 212.337 0.959 20 0 BCADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904326660 584865091 /nfs/dbraw/zinc/86/50/91/584865091.db2.gz PQKIPJZXFHFDSB-RWMBFGLXSA-N 3 0 225.380 0.997 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCS[C@H]3COCC[C@@H]32)C1 ZINC000904326915 584865210 /nfs/dbraw/zinc/86/52/10/584865210.db2.gz SYYXTYUCMHYNBU-USZNOCQGSA-N 2 0 242.388 0.930 20 0 BCADRP CCC[C@H]1C(=O)NCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904326983 584865260 /nfs/dbraw/zinc/86/52/60/584865260.db2.gz VPVBZEKSUYMULW-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](O)[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904330092 584866168 /nfs/dbraw/zinc/86/61/68/584866168.db2.gz ZIORQYJWJNHBFT-KKOKHZNYSA-N 2 0 212.337 0.817 20 0 BCADRP CC(C)OC[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904341551 584866972 /nfs/dbraw/zinc/86/69/72/584866972.db2.gz OYYSLRAVLQSDEU-FRRDWIJNSA-N 2 0 242.363 0.850 20 0 BCADRP COC[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000904342289 584867057 /nfs/dbraw/zinc/86/70/57/584867057.db2.gz CEMPNPIHEGGIOL-NNYUYHANSA-N 2 0 228.336 0.459 20 0 BCADRP COC[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000904342292 584867247 /nfs/dbraw/zinc/86/72/47/584867247.db2.gz CEMPNPIHEGGIOL-YFKTTZPYSA-N 2 0 228.336 0.459 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCOC[C@@]23CCOC3)C1 ZINC000904345622 584868222 /nfs/dbraw/zinc/86/82/22/584868222.db2.gz GQMLVXATAQMEDP-TUAOUCFPSA-N 2 0 226.320 0.215 20 0 BCADRP COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345303 584868261 /nfs/dbraw/zinc/86/82/61/584868261.db2.gz CSOHYRMJIRISLQ-WYUUTHIRSA-N 2 0 240.347 0.997 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCSC[C@@H]2CCO)C1 ZINC000904346419 584868516 /nfs/dbraw/zinc/86/85/16/584868516.db2.gz UJOSMPQQUIVZDV-AXFHLTTASA-N 2 0 230.377 0.524 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000904351626 584869565 /nfs/dbraw/zinc/86/95/65/584869565.db2.gz ZVXROMFAWNNXOD-GRYCIOLGSA-N 3 0 209.337 0.409 20 0 BCADRP CC[NH2+]CCNCc1nccn1C1CC1 ZINC000904353225 584869751 /nfs/dbraw/zinc/86/97/51/584869751.db2.gz JGMKROZXWPJPIZ-UHFFFAOYSA-N 2 0 208.309 0.917 20 0 BCADRP COCC[NH2+]CCNC[C@]1(C)CCC[NH2+]C1 ZINC000904353574 584869956 /nfs/dbraw/zinc/86/99/56/584869956.db2.gz NNRBJIQNVIVPLP-GFCCVEGCSA-N 2 0 229.368 0.202 20 0 BCADRP [NH3+][C@H]1C[C@@H](CN[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000904355642 584871131 /nfs/dbraw/zinc/87/11/31/584871131.db2.gz VLHFQLODXCSOCM-YIZRAAEISA-N 2 0 219.279 0.311 20 0 BCADRP C[C@@]1(CNC[C@@H]([NH3+])C2CC2)CCC[NH2+]C1 ZINC000904355730 584871181 /nfs/dbraw/zinc/87/11/81/584871181.db2.gz QWVHZJICDOGQCB-VXGBXAGGSA-N 2 0 211.353 0.703 20 0 BCADRP CN(C)C(=O)CC[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904359890 584871647 /nfs/dbraw/zinc/87/16/47/584871647.db2.gz GMSCBUXRRDDAHI-GFCCVEGCSA-N 2 0 227.352 0.444 20 0 BCADRP CN(C[C@@H]([NH3+])CCC(C)(C)C)C[C@@H](O)C[NH3+] ZINC000904358564 584872368 /nfs/dbraw/zinc/87/23/68/584872368.db2.gz PVGQTMMOAVPJNG-QWRGUYRKSA-N 2 0 231.384 0.391 20 0 BCADRP C[C@H](O)CN1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904368654 584872920 /nfs/dbraw/zinc/87/29/20/584872920.db2.gz LRSVQTZYQMNVRL-XQHKEYJVSA-N 2 0 241.379 0.111 20 0 BCADRP CC(C)(C)CC[C@H]([NH3+])CNC[C@H]1C[NH2+]CCO1 ZINC000904372169 584873059 /nfs/dbraw/zinc/87/30/59/584873059.db2.gz ZAPIMMBLQLKXGI-NWDGAFQWSA-N 2 0 243.395 0.718 20 0 BCADRP C[C@]1(CN2CCCO[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904371506 584873164 /nfs/dbraw/zinc/87/31/64/584873164.db2.gz OULDXDUMGWBQOO-OLZOCXBDSA-N 2 0 241.379 0.426 20 0 BCADRP [NH3+][C@H]1C[C@@H](CN2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000904372489 584873670 /nfs/dbraw/zinc/87/36/70/584873670.db2.gz CTBPSPKKFYRRLG-GRYCIOLGSA-N 2 0 209.337 0.552 20 0 BCADRP C[C@]1(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)CCC[NH2+]C1 ZINC000904373509 584873686 /nfs/dbraw/zinc/87/36/86/584873686.db2.gz RTACYMCAEBPMIB-UPJWGTAASA-N 2 0 242.363 0.051 20 0 BCADRP C[C@]1(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)CCC[NH2+]C1 ZINC000904373507 584873894 /nfs/dbraw/zinc/87/38/94/584873894.db2.gz RTACYMCAEBPMIB-AGIUHOORSA-N 2 0 242.363 0.051 20 0 BCADRP C[C@]1(C[NH+]2CCC(O)(C[NH3+])CC2)CCC[NH2+]C1 ZINC000904373276 584874081 /nfs/dbraw/zinc/87/40/81/584874081.db2.gz NSNMRYLUGLSWCR-LBPRGKRZSA-N 3 0 241.379 0.162 20 0 BCADRP [NH3+]CC1CC([NH2+][C@@H]2CCN(c3ccccn3)C2)C1 ZINC000904364053 584874392 /nfs/dbraw/zinc/87/43/92/584874392.db2.gz QRPHCGWPGZEACA-OTTFEQOBSA-N 2 0 246.358 0.987 20 0 BCADRP CCS(=O)(=O)C[C@@H](C)[NH2+]C1CC(C[NH3+])C1 ZINC000904366370 584874783 /nfs/dbraw/zinc/87/47/83/584874783.db2.gz ISHMPIHHAABPJP-XNWIYYODSA-N 2 0 234.365 0.137 20 0 BCADRP CC1(C)CN(CC[NH2+]C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904364732 584874845 /nfs/dbraw/zinc/87/48/45/584874845.db2.gz PWYGYDLNUDVTDN-TXEJJXNPSA-N 2 0 241.379 0.424 20 0 BCADRP CCOC(=O)[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000904388789 584875045 /nfs/dbraw/zinc/87/50/45/584875045.db2.gz BALJVDLUEYSHLS-YPMHNXCESA-N 2 0 240.347 0.871 20 0 BCADRP Nc1cccc(C[NH2+]C2CCN(CC[NH3+])CC2)c1 ZINC000904377568 584875878 /nfs/dbraw/zinc/87/58/78/584875878.db2.gz TWPXXUFZJKCLEO-UHFFFAOYSA-N 2 0 248.374 0.782 20 0 BCADRP [NH3+]CC1CC([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000904380679 584876559 /nfs/dbraw/zinc/87/65/59/584876559.db2.gz OFDJXQRAILZUOF-VQXHTEKXSA-N 3 0 209.337 0.598 20 0 BCADRP C[C@]12COC[C@H]1C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904379231 584876624 /nfs/dbraw/zinc/87/66/24/584876624.db2.gz RJFDCPHTXFWEGF-WYUUTHIRSA-N 2 0 210.321 0.692 20 0 BCADRP CC(C)(C)CC[C@H]([NH3+])CNC[C@@H]1COCC[NH2+]1 ZINC000904380398 584876926 /nfs/dbraw/zinc/87/69/26/584876926.db2.gz BLLJZLAWIGCDLI-NWDGAFQWSA-N 2 0 243.395 0.718 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C[C@H]3C[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000904384292 584876994 /nfs/dbraw/zinc/87/69/94/584876994.db2.gz JMZZFACEAYGETM-NDBYEHHHSA-N 2 0 223.364 0.750 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C[C@]1(C)CCC[NH2+]C1)C2 ZINC000904384667 584877216 /nfs/dbraw/zinc/87/72/16/584877216.db2.gz LKFZNLZRGINIKE-BFHYXJOUSA-N 2 0 237.391 0.917 20 0 BCADRP CC1(C)C[C@@H](O)C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904384958 584877272 /nfs/dbraw/zinc/87/72/72/584877272.db2.gz PVCUFABNVIKAQR-OUAUKWLOSA-N 2 0 212.337 0.817 20 0 BCADRP C[C@@H]([NH2+]C1CC(C[NH3+])C1)c1nnnn1C1CC1 ZINC000904384287 584877372 /nfs/dbraw/zinc/87/73/72/584877372.db2.gz JKARGTGZIWRIOG-AFPNSQJFSA-N 2 0 236.323 0.396 20 0 BCADRP COC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCOC1 ZINC000904385975 584877723 /nfs/dbraw/zinc/87/77/23/584877723.db2.gz LSLABXYHGIVALP-RVMXOQNASA-N 2 0 242.363 0.755 20 0 BCADRP C[C@@]1(CN2CCC[C@]([NH3+])(CO)C2)CCC[NH2+]C1 ZINC000904407062 584878697 /nfs/dbraw/zinc/87/86/97/584878697.db2.gz MQEFTRUFAUNLQT-CHWSQXEVSA-N 2 0 241.379 0.162 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN1CCC[C@@]([NH3+])(CO)C1 ZINC000904407129 584879011 /nfs/dbraw/zinc/87/90/11/584879011.db2.gz NTHMGHOQJZFJAV-RYUDHWBXSA-N 2 0 229.368 0.003 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CCC[C@]([NH3+])(CO)C1 ZINC000904407644 584879028 /nfs/dbraw/zinc/87/90/28/584879028.db2.gz YAACFAAILYXCEI-NWDGAFQWSA-N 2 0 229.368 0.145 20 0 BCADRP C[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1C[NH3+] ZINC000904409688 584879078 /nfs/dbraw/zinc/87/90/78/584879078.db2.gz GHLKKASKIGBGAJ-FIQHERPVSA-N 3 0 211.353 0.640 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CCC[C@]([NH3+])(CO)C1 ZINC000904407130 584879176 /nfs/dbraw/zinc/87/91/76/584879176.db2.gz NTHMGHOQJZFJAV-VXGBXAGGSA-N 2 0 229.368 0.003 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1C[NH3+] ZINC000904409689 584879266 /nfs/dbraw/zinc/87/92/66/584879266.db2.gz GHLKKASKIGBGAJ-KKOKHZNYSA-N 3 0 211.353 0.640 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000904407596 584879268 /nfs/dbraw/zinc/87/92/68/584879268.db2.gz XDEZAWGLLQZOLC-UTUOFQBUSA-N 3 0 209.337 0.267 20 0 BCADRP [NH3+]CC[C@H]1CCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000904407602 584879397 /nfs/dbraw/zinc/87/93/97/584879397.db2.gz XITKNMYMCXFWBM-IUCAKERBSA-N 2 0 221.295 0.640 20 0 BCADRP C[C@H]1C[N@H+](Cc2nccn2C)CC[C@H]1C[NH3+] ZINC000904411230 584879478 /nfs/dbraw/zinc/87/94/78/584879478.db2.gz KEHIRVHIURTROZ-QWRGUYRKSA-N 2 0 222.336 0.837 20 0 BCADRP C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)CC[C@H]1C[NH3+] ZINC000904411310 584879531 /nfs/dbraw/zinc/87/95/31/584879531.db2.gz UKCLOKJQJZMKRN-KXUCPTDWSA-N 2 0 235.322 0.886 20 0 BCADRP c1c(C[NH2+][C@H]2CNOC2)sc2c1C[NH2+]CC2 ZINC000904423881 584880253 /nfs/dbraw/zinc/88/02/53/584880253.db2.gz KIPRTGKCVYQDCB-VIFPVBQESA-N 2 0 239.344 0.387 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000876517287 584885592 /nfs/dbraw/zinc/88/55/92/584885592.db2.gz MLBNZFOABGEQJJ-LXKPXOPUSA-N 2 0 239.363 0.746 20 0 BCADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCC[NH2+]CC1 ZINC000876506678 584885601 /nfs/dbraw/zinc/88/56/01/584885601.db2.gz XMXDPGJHBPPYQV-RXNFCKPNSA-N 2 0 237.347 0.364 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876529611 584885935 /nfs/dbraw/zinc/88/59/35/584885935.db2.gz MGHLUFQARPWMKW-QWRGUYRKSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876529610 584885987 /nfs/dbraw/zinc/88/59/87/584885987.db2.gz MGHLUFQARPWMKW-MNOVXSKESA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876830332 584887217 /nfs/dbraw/zinc/88/72/17/584887217.db2.gz GQRWKQOWRNRELD-VPOLOUISSA-N 2 0 239.363 0.474 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877171217 584891239 /nfs/dbraw/zinc/89/12/39/584891239.db2.gz BTSWQRYVNUSPJD-XZUYRWCXSA-N 2 0 237.347 0.467 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000834648276 584914411 /nfs/dbraw/zinc/91/44/11/584914411.db2.gz ULAXIFZCGYKCTG-SCVCMEIPSA-N 2 0 243.326 0.274 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000733367598 584947431 /nfs/dbraw/zinc/94/74/31/584947431.db2.gz GEVOKCJGCJXKCJ-VXGBXAGGSA-N 2 0 239.363 0.348 20 0 BCADRP COC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CC1 ZINC000361891276 584948575 /nfs/dbraw/zinc/94/85/75/584948575.db2.gz HBXNBRCUPSFNDS-LBPRGKRZSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884359285 584951292 /nfs/dbraw/zinc/95/12/92/584951292.db2.gz HBVKBUWXDKBMOQ-FXBDTBDDSA-N 2 0 225.336 0.369 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000884415242 584952987 /nfs/dbraw/zinc/95/29/87/584952987.db2.gz OLUMNNKORRNOOF-AKJDGMEZSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)C[NH+]2CCCC2)C1 ZINC000820485041 585013827 /nfs/dbraw/zinc/01/38/27/585013827.db2.gz HYJJKYZXMZKXHK-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCC(=O)O2)C1 ZINC000821386729 585016194 /nfs/dbraw/zinc/01/61/94/585016194.db2.gz NBEUFMJUHRYFJA-NWDGAFQWSA-N 2 0 240.347 0.966 20 0 BCADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCF)CC1 ZINC000759331854 585367848 /nfs/dbraw/zinc/36/78/48/585367848.db2.gz KAAHTGIBHPKUOF-UHFFFAOYSA-N 2 0 245.342 0.346 20 0 BCADRP C[N@@H+]1CCC[C@H]1CCN1CCCNC(=O)C1 ZINC000767371660 585518163 /nfs/dbraw/zinc/51/81/63/585518163.db2.gz VUPVWYHEKOGBDP-NSHDSACASA-N 2 0 225.336 0.293 20 0 BCADRP Cc1cc(N[C@@H]2CCn3ccnc3C2)nc(N)[nH+]1 ZINC000777801880 585720242 /nfs/dbraw/zinc/72/02/42/585720242.db2.gz KQYSFOMVLXQHFV-SECBINFHSA-N 2 0 244.302 0.991 20 0 BCADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)CCO)CC1 ZINC000779342037 585751795 /nfs/dbraw/zinc/75/17/95/585751795.db2.gz QHBTYSWWAPZYHG-STQMWFEESA-N 2 0 243.395 0.373 20 0 BCADRP COCCC[NH+]1CCC([NH2+][C@H](C)CCO)CC1 ZINC000779401796 585753484 /nfs/dbraw/zinc/75/34/84/585753484.db2.gz YIXSXRKSVXZXHM-GFCCVEGCSA-N 2 0 244.379 0.848 20 0 BCADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)CCO ZINC000779405330 585753532 /nfs/dbraw/zinc/75/35/32/585753532.db2.gz WTPBFGJWYSQXQP-NWDGAFQWSA-N 2 0 232.368 0.704 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CCC[C@@H]1C ZINC000783916926 585845791 /nfs/dbraw/zinc/84/57/91/585845791.db2.gz SRBFXNOUTUJYMK-LBPRGKRZSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH+](C)CC1CC[NH+](CC[S@](C)=O)CC1 ZINC000787707463 585914362 /nfs/dbraw/zinc/91/43/62/585914362.db2.gz FUVYNTFEUDMGRO-HNNXBMFYSA-N 2 0 232.393 0.639 20 0 BCADRP C[S@@](=O)CC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000798196432 586140155 /nfs/dbraw/zinc/14/01/55/586140155.db2.gz KEYUMKLDQUCLKT-MRXNPFEDSA-N 2 0 241.360 0.968 20 0 BCADRP C[N@@H+]1CCC[C@]2(CCN(CC3OCCO3)C2)C1 ZINC000815143650 586669447 /nfs/dbraw/zinc/66/94/47/586669447.db2.gz NARHWXYUVIZCGD-ZDUSSCGKSA-N 2 0 240.347 0.777 20 0 BCADRP COC(=O)N1CCC[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])C1 ZINC000817902932 586836106 /nfs/dbraw/zinc/83/61/06/586836106.db2.gz BYBNKHJAZJCTBW-AXFHLTTASA-N 2 0 241.335 0.687 20 0 BCADRP C[C@H]([NH2+][C@H](CCO)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000817919710 586840805 /nfs/dbraw/zinc/84/08/05/586840805.db2.gz UIRZQRIBHWZMGN-ZMLRMANQSA-N 2 0 212.337 0.878 20 0 BCADRP COc1cccc2c1OC[C@@H]([NH2+]CCC[NH3+])C2 ZINC000817938185 586844124 /nfs/dbraw/zinc/84/41/24/586844124.db2.gz GLQKFSNHFBGWJZ-NSHDSACASA-N 2 0 236.315 0.937 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000818529369 586897825 /nfs/dbraw/zinc/89/78/25/586897825.db2.gz WBKKRWCGNVQTTI-SAAXCQNUSA-N 2 0 227.352 0.698 20 0 BCADRP [NH3+]CCOc1cccc(NC(=O)C[NH2+]C2CC2)c1 ZINC000818543646 586899503 /nfs/dbraw/zinc/89/95/03/586899503.db2.gz VRJUIINGVHMHKN-UHFFFAOYSA-N 2 0 249.314 0.715 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH3+])c2)C1 ZINC000818557282 586900632 /nfs/dbraw/zinc/90/06/32/586900632.db2.gz PHHVYZCUKPSIJN-LBPRGKRZSA-N 2 0 233.315 0.579 20 0 BCADRP [NH3+]Cc1cccc(C(=O)NCC2CC[NH2+]CC2)c1 ZINC000818559793 586901274 /nfs/dbraw/zinc/90/12/74/586901274.db2.gz NXJOFUFJNOSOHF-UHFFFAOYSA-N 2 0 247.342 0.875 20 0 BCADRP [NH3+]Cc1cccc(C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000818561444 586901334 /nfs/dbraw/zinc/90/13/34/586901334.db2.gz UUZXZOXYLHZDAS-LLVKDONJSA-N 2 0 219.288 0.237 20 0 BCADRP CC[NH2+]CC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000818597212 586902820 /nfs/dbraw/zinc/90/28/20/586902820.db2.gz RCLRXMILLWAHSM-UHFFFAOYSA-N 2 0 219.288 0.838 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CCC[NH2+]1 ZINC000818612887 586906585 /nfs/dbraw/zinc/90/65/85/586906585.db2.gz WYBBPJIRKDTYSE-STQMWFEESA-N 2 0 237.347 0.483 20 0 BCADRP CC[NH2+]CC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000818614168 586906646 /nfs/dbraw/zinc/90/66/46/586906646.db2.gz UAFLEBWGADTFKK-UHFFFAOYSA-N 2 0 239.363 0.588 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818612882 586906656 /nfs/dbraw/zinc/90/66/56/586906656.db2.gz WXLWQJZOLYPOGJ-GFCCVEGCSA-N 2 0 223.320 0.093 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818612715 586906773 /nfs/dbraw/zinc/90/67/73/586906773.db2.gz UONDCSIEMUAFJN-GWCFXTLKSA-N 2 0 237.347 0.339 20 0 BCADRP Cc1cc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)nc(N)[nH+]1 ZINC000819952525 587005402 /nfs/dbraw/zinc/00/54/02/587005402.db2.gz BIPDKBLTGHFYAY-WDEREUQCSA-N 2 0 247.346 0.898 20 0 BCADRP CN(CCCC[NH+](C)C)C(=O)C[NH+]1CCCC1 ZINC000820135564 587026067 /nfs/dbraw/zinc/02/60/67/587026067.db2.gz NWCWYRJAVWDXSH-UHFFFAOYSA-N 2 0 241.379 0.882 20 0 BCADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)CC[NH2+]1 ZINC000820561560 587054976 /nfs/dbraw/zinc/05/49/76/587054976.db2.gz JJUZSQIZNKBERL-UHFFFAOYSA-N 2 0 225.336 0.293 20 0 BCADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cnnn1C ZINC000820810021 587074425 /nfs/dbraw/zinc/07/44/25/587074425.db2.gz NDZGHDLUXMPBJO-SNVBAGLBSA-N 2 0 237.351 0.808 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860163853 589084594 /nfs/dbraw/zinc/08/45/94/589084594.db2.gz BHEXEHIWOKODTE-IJLUTSLNSA-N 2 0 238.331 0.576 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000822118022 587153779 /nfs/dbraw/zinc/15/37/79/587153779.db2.gz BQNJQHDDBXFHAM-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@@H]1CN(C)CCN1C(=O)C[NH+]1CCCC1 ZINC000823199156 587208279 /nfs/dbraw/zinc/20/82/79/587208279.db2.gz YSLHHCDEXQKOPK-GFCCVEGCSA-N 2 0 239.363 0.635 20 0 BCADRP C[NH+](C)CC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC000823255159 587211204 /nfs/dbraw/zinc/21/12/04/587211204.db2.gz OERGUQMCGMUZCO-UHFFFAOYSA-N 2 0 225.336 0.102 20 0 BCADRP CCCN(C)Cc1nc(N2CC[NH2+]CC2)no1 ZINC000823304071 587214698 /nfs/dbraw/zinc/21/46/98/587214698.db2.gz GVLKJCXVKDSQMY-UHFFFAOYSA-N 2 0 239.323 0.321 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000825558994 587325219 /nfs/dbraw/zinc/32/52/19/587325219.db2.gz WGVWWSSSXVJQON-YFKTTZPYSA-N 2 0 237.347 0.324 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(CC[S@](C)=O)C1 ZINC000827919980 587409843 /nfs/dbraw/zinc/40/98/43/587409843.db2.gz RWNASUIBAJGPBJ-HZMBPMFUSA-N 2 0 218.366 0.248 20 0 BCADRP [NH3+]CCCCCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000831177713 587589574 /nfs/dbraw/zinc/58/95/74/587589574.db2.gz AOCCJDQSMWTSHK-NSHDSACASA-N 2 0 242.367 0.542 20 0 BCADRP [NH3+]CCCCCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000831184502 587590067 /nfs/dbraw/zinc/59/00/67/587590067.db2.gz PATVGZDPWCDNOF-LLVKDONJSA-N 2 0 242.367 0.542 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCCCCC[NH3+] ZINC000831196953 587591236 /nfs/dbraw/zinc/59/12/36/587591236.db2.gz HFZQGQCIPODOIR-ZJUUUORDSA-N 2 0 230.356 0.540 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCCCCCC[NH3+] ZINC000831196834 587591413 /nfs/dbraw/zinc/59/14/13/587591413.db2.gz GAUHQDPAKRPBIA-SNVBAGLBSA-N 2 0 230.356 0.542 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCCCCC[NH3+] ZINC000831224080 587592880 /nfs/dbraw/zinc/59/28/80/587592880.db2.gz WDZNRGVDWUFPBX-QWRGUYRKSA-N 2 0 244.383 0.931 20 0 BCADRP [NH3+]CCCCCCNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000831291106 587596003 /nfs/dbraw/zinc/59/60/03/587596003.db2.gz JHPBPTSACKINQJ-LLVKDONJSA-N 2 0 242.367 0.496 20 0 BCADRP CN(C(=O)NCCCCCC[NH3+])C1CC([NH3+])C1 ZINC000831298283 587596272 /nfs/dbraw/zinc/59/62/72/587596272.db2.gz HIFNEJMTKTUHLW-UHFFFAOYSA-N 2 0 242.367 0.637 20 0 BCADRP CN(CC[NH3+])C(=O)NCCCCCC[NH3+] ZINC000831299187 587596532 /nfs/dbraw/zinc/59/65/32/587596532.db2.gz OYPFEPXFBJVLFU-UHFFFAOYSA-N 2 0 216.329 0.106 20 0 BCADRP C[C@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)[NH+]1CCCC1 ZINC000831822335 587633371 /nfs/dbraw/zinc/63/33/71/587633371.db2.gz FAVOMQNZJMNXSA-ZYHUDNBSSA-N 2 0 243.326 0.289 20 0 BCADRP C[C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)[NH+]1CCCC1 ZINC000831822334 587633374 /nfs/dbraw/zinc/63/33/74/587633374.db2.gz FAVOMQNZJMNXSA-PWSUYJOCSA-N 2 0 243.326 0.289 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)CC(C)(C)[NH3+] ZINC000831970596 587640341 /nfs/dbraw/zinc/64/03/41/587640341.db2.gz JGPQVCZQMLWKAG-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+]CCC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831971449 587640504 /nfs/dbraw/zinc/64/05/04/587640504.db2.gz XTEBOWQVAWXULC-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831970423 587640623 /nfs/dbraw/zinc/64/06/23/587640623.db2.gz HCLPMCACEOCPSV-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000831971254 587640707 /nfs/dbraw/zinc/64/07/07/587640707.db2.gz UNMYJNKQLHVCDK-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]CC1CCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000832316581 587653969 /nfs/dbraw/zinc/65/39/69/587653969.db2.gz SWGRWYHXHTUUKE-NSHDSACASA-N 2 0 225.336 0.311 20 0 BCADRP [NH3+][C@H](CC(=O)NC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000832447186 587660379 /nfs/dbraw/zinc/66/03/79/587660379.db2.gz VXMAZBGNIIWUNW-GXSJLCMTSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000832458992 587661180 /nfs/dbraw/zinc/66/11/80/587661180.db2.gz NBJUCBZIUGUQHW-SNVBAGLBSA-N 2 0 225.336 0.455 20 0 BCADRP C[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000832498183 587663452 /nfs/dbraw/zinc/66/34/52/587663452.db2.gz WSTDJXVXKJDDAP-UMNHJUIQSA-N 2 0 243.326 0.192 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000832554700 587666177 /nfs/dbraw/zinc/66/61/77/587666177.db2.gz QALYCEOOGBQCAG-GHMZBOCLSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)c2cccc(C[NH3+])c2)C1 ZINC000832555054 587666643 /nfs/dbraw/zinc/66/66/43/587666643.db2.gz ZMBKHVPFJCRKIN-CYBMUJFWSA-N 2 0 247.342 0.969 20 0 BCADRP CC[NH2+]CCNC(=O)c1cccc(C[NH3+])c1 ZINC000832582173 587668274 /nfs/dbraw/zinc/66/82/74/587668274.db2.gz UTSIZLPTNWWIDR-UHFFFAOYSA-N 2 0 221.304 0.485 20 0 BCADRP C[NH2+]CC1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000832644462 587672875 /nfs/dbraw/zinc/67/28/75/587672875.db2.gz MXRCPVANDHPJOD-GFCCVEGCSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)CC[C@H]1[NH3+] ZINC000832736879 587681468 /nfs/dbraw/zinc/68/14/68/587681468.db2.gz FRCUJEHRQFMVCU-CYZMBNFOSA-N 2 0 247.342 0.882 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000832828439 587692621 /nfs/dbraw/zinc/69/26/21/587692621.db2.gz APRQPCCISDBRCE-WDEREUQCSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(C[NH3+])c1 ZINC000832829365 587692904 /nfs/dbraw/zinc/69/29/04/587692904.db2.gz SHRQFXBEGQWETG-ZDUSSCGKSA-N 2 0 247.342 0.969 20 0 BCADRP [NH3+]Cc1cccc(C(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000834404737 587754443 /nfs/dbraw/zinc/75/44/43/587754443.db2.gz GCFMMILFZFWWBB-GFCCVEGCSA-N 2 0 233.315 0.612 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000834640986 587762230 /nfs/dbraw/zinc/76/22/30/587762230.db2.gz CKILKDNDYJGMQK-MIMYLULJSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000834641658 587762369 /nfs/dbraw/zinc/76/23/69/587762369.db2.gz LRDRHYFSAKEMNJ-CYZMBNFOSA-N 2 0 247.342 0.801 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000834642602 587762467 /nfs/dbraw/zinc/76/24/67/587762467.db2.gz SNCAZYVRSRLPTJ-SDDRHHMPSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+]Cc1cccc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000834698578 587764484 /nfs/dbraw/zinc/76/44/84/587764484.db2.gz LBJHPLVMOJWCKK-BETUJISGSA-N 2 0 245.326 0.437 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)CCCCC[NH3+] ZINC000834813558 587767396 /nfs/dbraw/zinc/76/73/96/587767396.db2.gz PZWQPAHHSAEGNX-SNVBAGLBSA-N 2 0 215.341 0.749 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)CCCCCC[NH3+] ZINC000834821219 587767631 /nfs/dbraw/zinc/76/76/31/587767631.db2.gz LZFIHNZUBJFUJE-UWVGGRQHSA-N 2 0 215.341 0.748 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000834821991 587767771 /nfs/dbraw/zinc/76/77/71/587767771.db2.gz VWCAOPHUWBBAAQ-WCABBAIRSA-N 2 0 221.304 0.538 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000834846205 587768383 /nfs/dbraw/zinc/76/83/83/587768383.db2.gz PDUOUABBIQBCBT-ZETCQYMHSA-N 2 0 235.278 0.227 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000834862709 587768740 /nfs/dbraw/zinc/76/87/40/587768740.db2.gz XAIVDCSLRDIJRM-QWRGUYRKSA-N 2 0 227.352 0.749 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000834861616 587768835 /nfs/dbraw/zinc/76/88/35/587768835.db2.gz KPYNBIBORAVVOG-CYZMBNFOSA-N 2 0 247.342 0.930 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCC3(C2)OCCO3)CC[NH2+]1 ZINC000841007559 587934733 /nfs/dbraw/zinc/93/47/33/587934733.db2.gz YWTWXHOFVCYQSZ-VXGBXAGGSA-N 2 0 240.347 0.823 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CC(=O)N(C)C[C@H]2C)CC[NH2+]1 ZINC000841020308 587935572 /nfs/dbraw/zinc/93/55/72/587935572.db2.gz WDZPAPZGWGMHDZ-UTUOFQBUSA-N 2 0 239.363 0.537 20 0 BCADRP [NH3+]CCC[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841034118 587937216 /nfs/dbraw/zinc/93/72/16/587937216.db2.gz WDFFVTQPNKEGRI-UHFFFAOYSA-N 2 0 207.321 0.626 20 0 BCADRP [NH3+]CCOc1ccc(N[C@H]2CC[NH2+]C2)cc1 ZINC000841055487 587940741 /nfs/dbraw/zinc/94/07/41/587940741.db2.gz WZHQHPXJFMSYDI-NSHDSACASA-N 2 0 221.304 0.798 20 0 BCADRP c1cc2c(cc1N[C@H]1CC[NH2+]C1)C[NH2+]CCO2 ZINC000841082637 587945741 /nfs/dbraw/zinc/94/57/41/587945741.db2.gz NMDJUXGSKVAPNU-LBPRGKRZSA-N 2 0 233.315 0.942 20 0 BCADRP c1cc2c(cc1N[C@@H]1CC[NH2+]C1)C[NH2+]CCO2 ZINC000841082635 587945907 /nfs/dbraw/zinc/94/59/07/587945907.db2.gz NMDJUXGSKVAPNU-GFCCVEGCSA-N 2 0 233.315 0.942 20 0 BCADRP CC[NH+]1CCC(CNC(=O)N[C@@H](C)C[NH3+])CC1 ZINC000841774614 587974890 /nfs/dbraw/zinc/97/48/90/587974890.db2.gz MUPIVHCLGFPFLD-JTQLQIEISA-N 2 0 242.367 0.365 20 0 BCADRP CN(C(=O)[C@@]1(F)CC[NH2+]C1)C1(C[NH3+])CCC1 ZINC000841852014 587975897 /nfs/dbraw/zinc/97/58/97/587975897.db2.gz BVIDZDGUAGXNQR-LLVKDONJSA-N 2 0 229.299 0.028 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000841846200 587977450 /nfs/dbraw/zinc/97/74/50/587977450.db2.gz KTXKVVJPVLPEMO-ZMLRMANQSA-N 2 0 239.363 0.842 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cccc(C[NH3+])c1 ZINC000841849491 587977667 /nfs/dbraw/zinc/97/76/67/587977667.db2.gz XRKUYZDERRQJEM-WDEREUQCSA-N 2 0 247.342 0.968 20 0 BCADRP C[C@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)[C@@H](C)C[NH2+]1 ZINC000841849429 587977868 /nfs/dbraw/zinc/97/78/68/587977868.db2.gz UCMIIZAYEIIDEK-SRVKXCTJSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@]1(CNC(=O)[C@@]2(F)CC[NH2+]C2)CCC[NH2+]C1 ZINC000841849980 587977885 /nfs/dbraw/zinc/97/78/85/587977885.db2.gz RYIJUJSCEGDCHE-VXGBXAGGSA-N 2 0 243.326 0.194 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)c1cccc(C[NH3+])c1 ZINC000841848549 587978019 /nfs/dbraw/zinc/97/80/19/587978019.db2.gz LNGVYODBAGUQDE-GFCCVEGCSA-N 2 0 235.331 0.858 20 0 BCADRP O=C(N(C1CC1)[C@@H]1CC[NH2+]C1)[C@]1(F)CC[NH2+]C1 ZINC000841848627 587978041 /nfs/dbraw/zinc/97/80/41/587978041.db2.gz SUFYJZZHKRBFRT-PWSUYJOCSA-N 2 0 241.310 0.041 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](C)[NH2+]C1CC1 ZINC000841851079 587978263 /nfs/dbraw/zinc/97/82/63/587978263.db2.gz KCBAMPNEHXKUQY-QXEWZRGKSA-N 2 0 243.326 0.285 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000841850448 587978316 /nfs/dbraw/zinc/97/83/16/587978316.db2.gz VPFKMVRFDFXOIX-JQWIXIFHSA-N 2 0 235.331 0.410 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000841850654 587978465 /nfs/dbraw/zinc/97/84/65/587978465.db2.gz ASOFKDMBIAXGEC-MIMYLULJSA-N 2 0 225.336 0.228 20 0 BCADRP CC[N@H+](CCCCCCC[NH3+])CC(=O)NC ZINC000842471682 588029336 /nfs/dbraw/zinc/02/93/36/588029336.db2.gz RVPPJDMQXJAMLS-UHFFFAOYSA-N 2 0 229.368 0.964 20 0 BCADRP CN(CC[NH3+])C(=O)CCCCCC[NH3+] ZINC000842510834 588032395 /nfs/dbraw/zinc/03/23/95/588032395.db2.gz UDBKDGFNIIFURN-UHFFFAOYSA-N 2 0 201.314 0.313 20 0 BCADRP CN(C(=O)C[C@H]([NH3+])C1CC1)[C@@H](C[NH3+])C1CC1 ZINC000842510426 588031550 /nfs/dbraw/zinc/03/15/50/588031550.db2.gz PRTNMFQCSKCRIS-QWRGUYRKSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000842510624 588031743 /nfs/dbraw/zinc/03/17/43/588031743.db2.gz RQJRTPJQJPDRMY-HGNGGELXSA-N 2 0 211.309 0.062 20 0 BCADRP CCCCCC[N@H+](C)CC(=O)N(C)CC[NH3+] ZINC000842511498 588032064 /nfs/dbraw/zinc/03/20/64/588032064.db2.gz YFPXNYWVHQGUPV-UHFFFAOYSA-N 2 0 229.368 0.916 20 0 BCADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842512742 588032346 /nfs/dbraw/zinc/03/23/46/588032346.db2.gz MTZJPTCNHPORAF-IACUBPJLSA-N 2 0 249.358 0.341 20 0 BCADRP [NH3+][C@H](Cc1nc([C@@H]2CCC[NH2+]2)no1)C1CC1 ZINC000842640665 588048083 /nfs/dbraw/zinc/04/80/83/588048083.db2.gz BAJPFNUVNKSDPL-BDAKNGLRSA-N 2 0 222.292 0.774 20 0 BCADRP O=C1OCC[C@@]12CCC[N@@H+]2CC1CC[NH2+]CC1 ZINC000843119595 588083283 /nfs/dbraw/zinc/08/32/83/588083283.db2.gz UWSGQSKIAFNHTC-ZDUSSCGKSA-N 2 0 238.331 0.768 20 0 BCADRP [NH3+]CCC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843327290 588100227 /nfs/dbraw/zinc/10/02/27/588100227.db2.gz FLIDGTUFIPFSJN-UHFFFAOYSA-N 2 0 221.304 0.153 20 0 BCADRP C[C@H]([NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843327062 588100258 /nfs/dbraw/zinc/10/02/58/588100258.db2.gz BRJMCEUEBZRTNK-VIFPVBQESA-N 2 0 221.304 0.151 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)C[C@H]([NH3+])C1CC1)C1CC1 ZINC000843344126 588101373 /nfs/dbraw/zinc/10/13/73/588101373.db2.gz MSPFJLOOXDKMPE-JQWIXIFHSA-N 2 0 225.336 0.357 20 0 BCADRP CC[NH2+]CC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000843351251 588102537 /nfs/dbraw/zinc/10/25/37/588102537.db2.gz HQSDJNCSURPSLS-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@H]1CC[NH2+]C1 ZINC000843360156 588104667 /nfs/dbraw/zinc/10/46/67/588104667.db2.gz BROOWQSNGJFYKS-WODVXLOZSA-N 2 0 223.364 0.940 20 0 BCADRP [NH3+]CCCCCC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843451134 588111411 /nfs/dbraw/zinc/11/14/11/588111411.db2.gz JTPXBIXTLBIMMR-GFCCVEGCSA-N 2 0 239.363 0.858 20 0 BCADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC2(C1)CC[NH2+]CC2 ZINC000843454778 588112133 /nfs/dbraw/zinc/11/21/33/588112133.db2.gz VGRXKERSMZSNJF-GDNZZTSVSA-N 2 0 249.358 0.054 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000843469934 588113252 /nfs/dbraw/zinc/11/32/52/588113252.db2.gz BTMMMPRQMHOANT-CABZTGNLSA-N 2 0 221.304 0.324 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843473002 588113611 /nfs/dbraw/zinc/11/36/11/588113611.db2.gz FNHJAXPKPXEGPO-CYBMUJFWSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000843501808 588116668 /nfs/dbraw/zinc/11/66/68/588116668.db2.gz QWYBPJQGYYLICB-UMNHJUIQSA-N 2 0 223.320 0.078 20 0 BCADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000843502395 588116759 /nfs/dbraw/zinc/11/67/59/588116759.db2.gz ZGVVPHQLDAAKLO-HNCHTBHHSA-N 2 0 235.331 0.091 20 0 BCADRP [NH3+]CCCCCCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000843512464 588117640 /nfs/dbraw/zinc/11/76/40/588117640.db2.gz MIKMMMNFNLHVAM-LLVKDONJSA-N 2 0 227.352 0.621 20 0 BCADRP [NH3+]CCCCCCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000843511417 588117752 /nfs/dbraw/zinc/11/77/52/588117752.db2.gz CLUGUEJJMQCHMN-NSHDSACASA-N 2 0 243.351 0.000 20 0 BCADRP [NH3+]CCCCCCNC(=O)c1coc(C[NH3+])c1 ZINC000843511737 588117919 /nfs/dbraw/zinc/11/79/19/588117919.db2.gz JWYHRKKFGVUZMH-UHFFFAOYSA-N 2 0 239.319 0.987 20 0 BCADRP [NH3+][C@H](CC(=O)NCCC[NH2+]C1CC1)C1CC1 ZINC000843513599 588118021 /nfs/dbraw/zinc/11/80/21/588118021.db2.gz JJOFNGPWIIROIJ-LLVKDONJSA-N 2 0 225.336 0.372 20 0 BCADRP CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000844185033 588170604 /nfs/dbraw/zinc/17/06/04/588170604.db2.gz DJCBSQKFFDXYRB-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000844171893 588171979 /nfs/dbraw/zinc/17/19/79/588171979.db2.gz NZKAGLHUEIZYBR-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000844178061 588172408 /nfs/dbraw/zinc/17/24/08/588172408.db2.gz JOEUEUPFENEAJL-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000844171891 588172437 /nfs/dbraw/zinc/17/24/37/588172437.db2.gz NZKAGLHUEIZYBR-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H](C(=O)N1CCC2(C1)CC[NH2+]CC2)[NH+](C)C ZINC000844193807 588172784 /nfs/dbraw/zinc/17/27/84/588172784.db2.gz XXVUOXOLZNBVEC-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH3+] ZINC000844200759 588173198 /nfs/dbraw/zinc/17/31/98/588173198.db2.gz FJKVJBMKJSPKPD-UHFFFAOYSA-N 2 0 229.368 0.964 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846170810 588259028 /nfs/dbraw/zinc/25/90/28/588259028.db2.gz AZIUIBOQSCFBTI-NHCYSSNCSA-N 2 0 240.351 0.104 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000846221500 588261104 /nfs/dbraw/zinc/26/11/04/588261104.db2.gz ZGMBGKNHLYDARF-TZMCWYRMSA-N 2 0 249.358 0.841 20 0 BCADRP [NH3+]CCCCCC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000846222217 588261772 /nfs/dbraw/zinc/26/17/72/588261772.db2.gz BCSGOIBSCCPWAP-LBPRGKRZSA-N 3 0 229.368 0.555 20 0 BCADRP CN(CC[NH+]1CCCCC1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000846700834 588283307 /nfs/dbraw/zinc/28/33/07/588283307.db2.gz IQYMXRTVOIKNRD-MNOVXSKESA-N 2 0 225.336 0.278 20 0 BCADRP CC[NH2+]CC(=O)N(C)CC[NH+]1CCCCC1 ZINC000846700355 588283370 /nfs/dbraw/zinc/28/33/70/588283370.db2.gz BFJSIZFURSWKMP-UHFFFAOYSA-N 2 0 227.352 0.540 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCCC1CC[NH2+]CC1 ZINC000846700384 588283554 /nfs/dbraw/zinc/28/35/54/588283554.db2.gz CFYJMFWVZBIYGW-JTQLQIEISA-N 2 0 239.363 0.633 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CCO)C1CC1 ZINC000846855320 588293384 /nfs/dbraw/zinc/29/33/84/588293384.db2.gz UQUGDBTVNRNNLC-NEPJUHHUSA-N 2 0 230.352 0.050 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C[C@@H]([NH3+])C1CC1)C(F)(F)F ZINC000848438211 588385062 /nfs/dbraw/zinc/38/50/62/588385062.db2.gz QVIATTFJAZJTRJ-RNFRBKRXSA-N 2 0 239.241 0.120 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)C1C[NH2+]C1 ZINC000848721034 588408393 /nfs/dbraw/zinc/40/83/93/588408393.db2.gz GNNFGMMPVRGVAD-KCJUWKMLSA-N 2 0 239.319 0.167 20 0 BCADRP CC[C@@H](CNC1=[NH+]CCN1C)[NH+]1CCCC1 ZINC000848986321 588425552 /nfs/dbraw/zinc/42/55/52/588425552.db2.gz CBSLQRDJOYDMKO-NSHDSACASA-N 2 0 224.352 0.752 20 0 BCADRP COC[C@H](C)NC(=[NH2+])NCCCC[NH+](C)C ZINC000848990096 588426598 /nfs/dbraw/zinc/42/65/98/588426598.db2.gz YPDPPUBUSBRSHU-JTQLQIEISA-N 2 0 230.356 0.477 20 0 BCADRP COCCNC(=[NH2+])NC[C@@H](C)[NH+]1CCCCC1 ZINC000848995366 588428517 /nfs/dbraw/zinc/42/85/17/588428517.db2.gz IUHCECLURKFGHL-LLVKDONJSA-N 2 0 242.367 0.621 20 0 BCADRP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CCC1)C1CC1 ZINC000848994921 588428734 /nfs/dbraw/zinc/42/87/34/588428734.db2.gz OGWPBBJMYPUUFI-NSHDSACASA-N 2 0 224.352 0.993 20 0 BCADRP COCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000848996412 588429210 /nfs/dbraw/zinc/42/92/10/588429210.db2.gz RQFXALJIGZOCJL-NSHDSACASA-N 2 0 242.367 0.477 20 0 BCADRP CN(C)C(=[NH2+])NCCCN1CCC[N@H+](C)CC1 ZINC000849000019 588430175 /nfs/dbraw/zinc/43/01/75/588430175.db2.gz GGTYXSWQJGDMJT-UHFFFAOYSA-N 2 0 241.383 0.100 20 0 BCADRP [NH2+]=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC1 ZINC000849000279 588430474 /nfs/dbraw/zinc/43/04/74/588430474.db2.gz OVUYXZNHPFQZQK-MNOVXSKESA-N 2 0 238.335 0.080 20 0 BCADRP CCCCNC(=[NH2+])NC[C@H]1C[N@H+](C)CCN1C ZINC000849007911 588433567 /nfs/dbraw/zinc/43/35/67/588433567.db2.gz CKMRSRMBLTXUEF-NSHDSACASA-N 2 0 241.383 0.146 20 0 BCADRP CCCCNC(=[NH2+])NC[C@@H]1C[N@H+](C)CCN1C ZINC000849007910 588433643 /nfs/dbraw/zinc/43/36/43/588433643.db2.gz CKMRSRMBLTXUEF-LLVKDONJSA-N 2 0 241.383 0.146 20 0 BCADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH+]1CCCC1 ZINC000849133093 588453346 /nfs/dbraw/zinc/45/33/46/588453346.db2.gz AOBJKNFUIGQAET-LLVKDONJSA-N 2 0 235.335 0.798 20 0 BCADRP O=C1CCC2=C(CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)N1 ZINC000849349747 588474270 /nfs/dbraw/zinc/47/42/70/588474270.db2.gz GOSCGJJYMUDMMU-LLVKDONJSA-N 2 0 249.358 0.856 20 0 BCADRP C[C@@H](C[NH3+])NCc1ccc2c(c1)C[NH2+]CC2 ZINC000849350713 588474823 /nfs/dbraw/zinc/47/48/23/588474823.db2.gz SKAIMWHPFOPFCY-JTQLQIEISA-N 2 0 219.332 0.769 20 0 BCADRP CCN(CCO)CC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850460633 588548103 /nfs/dbraw/zinc/54/81/03/588548103.db2.gz ANAGYEJFNMIBBT-LBPRGKRZSA-N 2 0 242.363 0.602 20 0 BCADRP C[C@H](CCO)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000850500569 588551922 /nfs/dbraw/zinc/55/19/22/588551922.db2.gz HUIOVCNPZISQFV-OLZOCXBDSA-N 2 0 245.411 0.619 20 0 BCADRP CC[N@H+](CCNC(=O)N[C@@H](C)C[NH2+]C)C(C)C ZINC000851656600 588613150 /nfs/dbraw/zinc/61/31/50/588613150.db2.gz MNXKPLJMVFOJRD-NSHDSACASA-N 2 0 244.383 0.624 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000851663608 588613756 /nfs/dbraw/zinc/61/37/56/588613756.db2.gz FBJMMYIZWQMCQP-VHSXEESVSA-N 2 0 242.367 0.506 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH3+])C1 ZINC000851663320 588613803 /nfs/dbraw/zinc/61/38/03/588613803.db2.gz APCMFEGNZWIHBA-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP CO[C@@H]1CC[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000851732269 588619466 /nfs/dbraw/zinc/61/94/66/588619466.db2.gz NFNFBJBVVWKHOP-WISYIIOYSA-N 2 0 210.321 0.705 20 0 BCADRP [NH3+]C[C@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000852743785 588699063 /nfs/dbraw/zinc/69/90/63/588699063.db2.gz KETUPGYWFIWPCB-NEPJUHHUSA-N 3 0 239.363 0.178 20 0 BCADRP CN(C(=O)C=C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000852793121 588703003 /nfs/dbraw/zinc/70/30/03/588703003.db2.gz QJIASIZZVOGIQJ-UHFFFAOYSA-N 2 0 237.347 0.507 20 0 BCADRP [NH3+]CCc1ccc(CNC(=O)CC2([NH3+])CC2)cc1 ZINC000852794039 588703246 /nfs/dbraw/zinc/70/32/46/588703246.db2.gz KMVQEJLBRSKOLE-UHFFFAOYSA-N 2 0 247.342 0.685 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C=C1CC[NH2+]CC1 ZINC000852796907 588703556 /nfs/dbraw/zinc/70/35/56/588703556.db2.gz JLWBCZYCTLQOIU-GFCCVEGCSA-N 2 0 239.363 0.786 20 0 BCADRP CC[NH2+]CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852795920 588703564 /nfs/dbraw/zinc/70/35/64/588703564.db2.gz LHRGWIROWCFQKZ-UHFFFAOYSA-N 2 0 211.309 0.022 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852798370 588703735 /nfs/dbraw/zinc/70/37/35/588703735.db2.gz JHIXCIKCYSYYQQ-UHFFFAOYSA-N 2 0 237.347 0.507 20 0 BCADRP C[C@H]1CN(C(=O)C=C2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000852797928 588703860 /nfs/dbraw/zinc/70/38/60/588703860.db2.gz CZLUNVCOVDVKOQ-JQWIXIFHSA-N 2 0 237.347 0.492 20 0 BCADRP O=C(NC1CC[NH2+]CC1)[C@H]1[NH2+]CC12CCCC2 ZINC000852824946 588706052 /nfs/dbraw/zinc/70/60/52/588706052.db2.gz DCFDDGYTFDGDTD-LLVKDONJSA-N 2 0 237.347 0.387 20 0 BCADRP C[NH2+]CCN(C)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000852826551 588706166 /nfs/dbraw/zinc/70/61/66/588706166.db2.gz MWYVFDXTYDAVNN-CYBMUJFWSA-N 2 0 247.342 0.899 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000852834329 588706929 /nfs/dbraw/zinc/70/69/29/588706929.db2.gz MTLGPRAXFRSKJU-DMDPSCGWSA-N 2 0 237.347 0.468 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000852832542 588706937 /nfs/dbraw/zinc/70/69/37/588706937.db2.gz NDYGIWVRRIJVFH-HTQZYQBOSA-N 2 0 235.278 0.098 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N(C)Cc1c[nH]cn1 ZINC000852836725 588707176 /nfs/dbraw/zinc/70/71/76/588707176.db2.gz HZZBLXGDLNCZQY-QMMMGPOBSA-N 2 0 222.292 0.509 20 0 BCADRP [NH3+]C1(CNC(=O)[C@]2(F)CC[NH2+]C2)CCCC1 ZINC000852852302 588708176 /nfs/dbraw/zinc/70/81/76/588708176.db2.gz STHSPBPVZGDPFE-NSHDSACASA-N 2 0 229.299 0.076 20 0 BCADRP [NH3+]CCCCCCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000852870096 588709502 /nfs/dbraw/zinc/70/95/02/588709502.db2.gz POSHYBMROJNTSZ-GHMZBOCLSA-N 2 0 245.342 0.793 20 0 BCADRP [NH3+]CCCCCC(=O)NCC12CC(C1)C[NH2+]2 ZINC000852865451 588709538 /nfs/dbraw/zinc/70/95/38/588709538.db2.gz CYRCJBCNMOYEFK-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852874477 588709738 /nfs/dbraw/zinc/70/97/38/588709738.db2.gz MHOWZYQQFKSCSF-PWSUYJOCSA-N 2 0 237.347 0.492 20 0 BCADRP [NH3+]C1(CC(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000852873934 588709857 /nfs/dbraw/zinc/70/98/57/588709857.db2.gz DXYRBSSVUSHNHZ-UHFFFAOYSA-N 2 0 237.347 0.470 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C=C1CC[NH2+]CC1 ZINC000852873882 588709917 /nfs/dbraw/zinc/70/99/17/588709917.db2.gz GZKHZQZRWULSIM-PWSUYJOCSA-N 2 0 237.347 0.492 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852878096 588710314 /nfs/dbraw/zinc/71/03/14/588710314.db2.gz HSZUUIMIZSXEMK-WDEREUQCSA-N 2 0 237.347 0.505 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852879781 588710669 /nfs/dbraw/zinc/71/06/69/588710669.db2.gz ZKEFERGVSUSDLZ-ZDUSSCGKSA-N 2 0 237.347 0.494 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C=C1CC[NH2+]CC1 ZINC000852878406 588710810 /nfs/dbraw/zinc/71/08/10/588710810.db2.gz KFPGYYQFSIKFAM-CMPLNLGQSA-N 2 0 237.347 0.410 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C=C1CC[NH2+]CC1 ZINC000852898427 588712422 /nfs/dbraw/zinc/71/24/22/588712422.db2.gz LJNSYPWGSUSNST-UHFFFAOYSA-N 2 0 225.336 0.492 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)c1cccc(C[NH3+])c1 ZINC000852921411 588713293 /nfs/dbraw/zinc/71/32/93/588713293.db2.gz MIKLBDGMSXSUPE-VIFPVBQESA-N 2 0 221.304 0.483 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861568338 589167666 /nfs/dbraw/zinc/16/76/66/589167666.db2.gz ZZYXLGYGPGYWCM-VHSXEESVSA-N 2 0 230.356 0.315 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861555547 589167764 /nfs/dbraw/zinc/16/77/64/589167764.db2.gz PNZVYGZNMQUKHG-WDEREUQCSA-N 2 0 244.383 0.705 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861571953 589168510 /nfs/dbraw/zinc/16/85/10/589168510.db2.gz KEQFONQQZGUREE-MNOVXSKESA-N 2 0 244.383 0.705 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000861591900 589169229 /nfs/dbraw/zinc/16/92/29/589169229.db2.gz BYIHQLLKWXGAEH-GARJFASQSA-N 2 0 242.367 0.458 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861641434 589171951 /nfs/dbraw/zinc/17/19/51/589171951.db2.gz SDWBQRUHDFQITI-VHSXEESVSA-N 2 0 230.356 0.493 20 0 BCADRP C[C@@H](NC(=O)N(C)C[C@H](C)[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000861638979 589171985 /nfs/dbraw/zinc/17/19/85/589171985.db2.gz ILXOYKIZPQBFCT-HBNTYKKESA-N 2 0 242.367 0.363 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861641128 589172121 /nfs/dbraw/zinc/17/21/21/589172121.db2.gz PPSPHAVZXFOYKD-SECBINFHSA-N 2 0 230.356 0.493 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000861638646 589172196 /nfs/dbraw/zinc/17/21/96/589172196.db2.gz DVEKBUDOAKMSJL-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861647841 589173018 /nfs/dbraw/zinc/17/30/18/589173018.db2.gz NCBOFMIPPTVYBL-XHNCKOQMSA-N 2 0 216.329 0.101 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCC[C@H](C)[NH3+] ZINC000861655240 589173269 /nfs/dbraw/zinc/17/32/69/589173269.db2.gz IHDRAXUHSFSDJC-QWRGUYRKSA-N 2 0 242.367 0.363 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861669945 589174122 /nfs/dbraw/zinc/17/41/22/589174122.db2.gz AVVRZMPEDFLQAY-KXUCPTDWSA-N 2 0 228.340 0.116 20 0 BCADRP C[NH+](C)CCNC(=S)NC[C@H]1CCC[N@@H+]1C ZINC000863214914 589271725 /nfs/dbraw/zinc/27/17/25/589271725.db2.gz JIFMAQMNKSLWTE-SNVBAGLBSA-N 2 0 244.408 0.106 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(C)nn1C ZINC000863544204 589296957 /nfs/dbraw/zinc/29/69/57/589296957.db2.gz NIPZLRAKKQKSGA-NSHDSACASA-N 2 0 240.351 0.615 20 0 BCADRP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])C1 ZINC000863541607 589297042 /nfs/dbraw/zinc/29/70/42/589297042.db2.gz KETYHMFLQYPGEL-HBNTYKKESA-N 2 0 224.304 0.718 20 0 BCADRP O=CN1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000863541366 589297302 /nfs/dbraw/zinc/29/73/02/589297302.db2.gz HUVPZRTZOKAOCJ-GFCCVEGCSA-N 2 0 237.347 0.481 20 0 BCADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ncc[nH]1 ZINC000863546672 589297627 /nfs/dbraw/zinc/29/76/27/589297627.db2.gz MTBCFPMPTGHPGY-SECBINFHSA-N 2 0 212.297 0.426 20 0 BCADRP NC(=O)C[C@@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000863565081 589299384 /nfs/dbraw/zinc/29/93/84/589299384.db2.gz ZGLRZGGOCQTHBZ-LLVKDONJSA-N 2 0 243.351 0.082 20 0 BCADRP CNC(=O)c1cccc(CN(C)C[C@H](C)[NH3+])c1 ZINC000863567557 589299919 /nfs/dbraw/zinc/29/99/19/589299919.db2.gz DPXGYMQYMCBVOW-JTQLQIEISA-N 2 0 235.331 0.825 20 0 BCADRP CC[C@H](C(=O)N(C)CC[NH2+]C)[NH+](C)C ZINC000863585284 589302106 /nfs/dbraw/zinc/30/21/06/589302106.db2.gz UMWCCCDJPVEPQQ-SECBINFHSA-N 2 0 201.314 0.004 20 0 BCADRP C[NH+](C)CCCNC(=[NH2+])NCCC1CC1 ZINC000864451880 589365129 /nfs/dbraw/zinc/36/51/29/589365129.db2.gz KAIMTZYAAGPRON-UHFFFAOYSA-N 2 0 212.341 0.852 20 0 BCADRP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000864455451 589366364 /nfs/dbraw/zinc/36/63/64/589366364.db2.gz PYUDIWWGDSEIIV-IEBDPFPHSA-N 2 0 224.352 0.849 20 0 BCADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000864455452 589366494 /nfs/dbraw/zinc/36/64/94/589366494.db2.gz PYUDIWWGDSEIIV-MIMYLULJSA-N 2 0 224.352 0.849 20 0 BCADRP C[C@H]1C[C@@H]1NC(=[NH2+])NCCNc1cc[nH+]cc1 ZINC000864455284 589366561 /nfs/dbraw/zinc/36/65/61/589366561.db2.gz LVHHTSUBTYEWMN-ONGXEEELSA-N 2 0 233.319 0.438 20 0 BCADRP CC(C)[N@H+](C)CCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864455941 589366784 /nfs/dbraw/zinc/36/67/84/589366784.db2.gz AYBAKMURVDBRQM-ZJUUUORDSA-N 2 0 212.341 0.849 20 0 BCADRP C[C@H](CNC(=[NH2+])N[C@@H]1C[C@H]1C)[N@H+](C)C1CC1 ZINC000864457384 589367566 /nfs/dbraw/zinc/36/75/66/589367566.db2.gz SCPURTPGBXFWBD-FXPVBKGRSA-N 2 0 224.352 0.991 20 0 BCADRP C[C@H]1C[C@@H]1NC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000864468068 589372085 /nfs/dbraw/zinc/37/20/85/589372085.db2.gz APIPKWOFEAKIPY-MMWGEVLESA-N 2 0 224.352 0.849 20 0 BCADRP C[C@@H]([NH3+])CN(C)C[C@@H]1CCc2ncnn21 ZINC000866668230 589510438 /nfs/dbraw/zinc/51/04/38/589510438.db2.gz NXQOUKXKZUINMQ-BDAKNGLRSA-N 2 0 209.297 0.044 20 0 BCADRP CC1(C)C[C@@H](O)C[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000866703654 589513185 /nfs/dbraw/zinc/51/31/85/589513185.db2.gz NNHFCYQDWODYMG-GHMZBOCLSA-N 2 0 212.337 0.689 20 0 BCADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705960 589514458 /nfs/dbraw/zinc/51/44/58/589514458.db2.gz DCJLRJITVTYOOR-GWCFXTLKSA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000866706288 589514758 /nfs/dbraw/zinc/51/47/58/589514758.db2.gz HEASAFPCIXDBRH-GWCFXTLKSA-N 2 0 239.363 0.572 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866719786 589515202 /nfs/dbraw/zinc/51/52/02/589515202.db2.gz DEGOPIXKROUBOT-WOPDTQHZSA-N 2 0 209.337 0.422 20 0 BCADRP C[C@@H](NC(=O)C(C)(C)C[NH3+])C1CC[NH2+]CC1 ZINC000868005157 589543910 /nfs/dbraw/zinc/54/39/10/589543910.db2.gz JEHMBZGXJFNLQT-SECBINFHSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868007250 589543918 /nfs/dbraw/zinc/54/39/18/589543918.db2.gz JBHBFCTXMGBEPA-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000868013032 589544157 /nfs/dbraw/zinc/54/41/57/589544157.db2.gz ZIQIYMIEUVRTIT-GXFFZTMASA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000868013031 589544365 /nfs/dbraw/zinc/54/43/65/589544365.db2.gz ZIQIYMIEUVRTIT-GWCFXTLKSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868012749 589544405 /nfs/dbraw/zinc/54/44/05/589544405.db2.gz UCHXOZNEZKOYQB-BBBLOLIVSA-N 2 0 227.352 0.474 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868013374 589544469 /nfs/dbraw/zinc/54/44/69/589544469.db2.gz FADSFTMOVKDJDC-IUCAKERBSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000868022308 589544729 /nfs/dbraw/zinc/54/47/29/589544729.db2.gz HNRLBUGCMKLGST-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000870857869 589691532 /nfs/dbraw/zinc/69/15/32/589691532.db2.gz AAJDDMQVIGDBRN-PHIMTYICSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870895814 589695038 /nfs/dbraw/zinc/69/50/38/589695038.db2.gz CXVAZJCWVZZZEH-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000870892832 589695154 /nfs/dbraw/zinc/69/51/54/589695154.db2.gz NDMSVVJZWIYGER-OUAUKWLOSA-N 2 0 227.352 0.665 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000870932140 589697750 /nfs/dbraw/zinc/69/77/50/589697750.db2.gz ABMLPMQIOKUUOK-GMTAPVOTSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC000870936608 589698669 /nfs/dbraw/zinc/69/86/69/589698669.db2.gz NTVIPQUHFKKLSV-DDHJBXDOSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC000870936606 589698735 /nfs/dbraw/zinc/69/87/35/589698735.db2.gz NTVIPQUHFKKLSV-BKUVIOGVSA-N 2 0 239.363 0.713 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870938441 589698774 /nfs/dbraw/zinc/69/87/74/589698774.db2.gz OVTLNXWUGSGXCL-BLFANLJRSA-N 2 0 239.363 0.748 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870938442 589698833 /nfs/dbraw/zinc/69/88/33/589698833.db2.gz OVTLNXWUGSGXCL-XZUYRWCXSA-N 2 0 239.363 0.748 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870937160 589698902 /nfs/dbraw/zinc/69/89/02/589698902.db2.gz VNXAUZLEGPROJL-BLFANLJRSA-N 2 0 239.363 0.603 20 0 BCADRP [NH3+]C[C@@H](NC(=O)CC[NH2+]CC1CC1)C1CC1 ZINC000870936660 589698911 /nfs/dbraw/zinc/69/89/11/589698911.db2.gz AJAAFSYNOFYNTP-LLVKDONJSA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870937193 589698933 /nfs/dbraw/zinc/69/89/33/589698933.db2.gz WEEIONVNMPFQLB-AKJDGMEZSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870937582 589699003 /nfs/dbraw/zinc/69/90/03/589699003.db2.gz NGODTZGONHIQPX-GMTAPVOTSA-N 2 0 225.336 0.454 20 0 BCADRP [NH3+][C@@H](CNC(=O)CC[NH2+]CC1CC1)C1CC1 ZINC000870938804 589699227 /nfs/dbraw/zinc/69/92/27/589699227.db2.gz FXYZFHUQERIQOC-NSHDSACASA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)CC[NH2+]CC1CC1 ZINC000870938806 589699288 /nfs/dbraw/zinc/69/92/88/589699288.db2.gz FYGBHOMTYJATKD-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000870941403 589699474 /nfs/dbraw/zinc/69/94/74/589699474.db2.gz XGSUPBCQKBXQDB-CMPLNLGQSA-N 2 0 239.363 0.490 20 0 BCADRP O=C(CC[NH2+]CC1CC1)NCC1=CC[NH2+]CC1 ZINC000870940804 589699496 /nfs/dbraw/zinc/69/94/96/589699496.db2.gz MYRFNJQMFJGIEC-UHFFFAOYSA-N 2 0 237.347 0.412 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000870941349 589699545 /nfs/dbraw/zinc/69/95/45/589699545.db2.gz VWSBZDVZTPDMED-TUAOUCFPSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870941727 589699586 /nfs/dbraw/zinc/69/95/86/589699586.db2.gz YZRCVAJRFXTUFK-BJDJZHNGSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870943909 589699850 /nfs/dbraw/zinc/69/98/50/589699850.db2.gz YHFJUTXMCQNFJO-URAGZPLESA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870944855 589699939 /nfs/dbraw/zinc/69/99/39/589699939.db2.gz LSEZEXRFDXXNMO-FBUUZDRASA-N 2 0 237.347 0.357 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000870942544 589699942 /nfs/dbraw/zinc/69/99/42/589699942.db2.gz PKDJRBZJIHCEBL-IRCOFANPSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000870943073 589700005 /nfs/dbraw/zinc/70/00/05/589700005.db2.gz GAJGUDKHTBEASJ-WZRBSPASSA-N 2 0 239.363 0.701 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870944083 589700046 /nfs/dbraw/zinc/70/00/46/589700046.db2.gz BICRTTUSFINCTC-WYUUTHIRSA-N 2 0 239.363 0.748 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870946961 589700255 /nfs/dbraw/zinc/70/02/55/589700255.db2.gz MKSZKROAMSFKSQ-OPRDCNLKSA-N 2 0 213.325 0.357 20 0 BCADRP CN(C(=O)CC[NH2+]CC1CC1)[C@H](C[NH3+])C1CC1 ZINC000870947333 589700723 /nfs/dbraw/zinc/70/07/23/589700723.db2.gz ZNLNIVWNWFFRCK-GFCCVEGCSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870955138 589701084 /nfs/dbraw/zinc/70/10/84/589701084.db2.gz OYZMQBMQSRFZJD-YKJDORHASA-N 2 0 235.331 0.064 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000870959927 589701669 /nfs/dbraw/zinc/70/16/69/589701669.db2.gz ZBHZMNIVLOFMNR-WCABBAIRSA-N 2 0 211.309 0.064 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870969085 589702731 /nfs/dbraw/zinc/70/27/31/589702731.db2.gz RPXXKUQKCZMREM-QEYWKRMJSA-N 2 0 213.325 0.213 20 0 BCADRP [NH3+][C@H](C(=O)NC[C@@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000870969114 589702970 /nfs/dbraw/zinc/70/29/70/589702970.db2.gz UNLGEGDGYRXIQN-WCQGTBRESA-N 2 0 233.315 0.540 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870971741 589703101 /nfs/dbraw/zinc/70/31/01/589703101.db2.gz HMJHJHWZPLSBGS-NAKRPEOUSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@@H]1C[C@@H]([NH3+])C1 ZINC000870971597 589703197 /nfs/dbraw/zinc/70/31/97/589703197.db2.gz FMMRSASCPHBCFV-JHJVBQTASA-N 2 0 247.342 0.410 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H](C)[NH3+] ZINC000870972024 589703490 /nfs/dbraw/zinc/70/34/90/589703490.db2.gz NXCBIKBGZNLEQN-DBIOUOCHSA-N 2 0 227.352 0.459 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972069 589703635 /nfs/dbraw/zinc/70/36/35/589703635.db2.gz QERHELJTHHYDNP-UZWSLXQKSA-N 2 0 239.363 0.748 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)C1 ZINC000870972600 589703693 /nfs/dbraw/zinc/70/36/93/589703693.db2.gz MXRRYFIVKVTEMD-PRULPYPASA-N 2 0 237.347 0.230 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870975721 589704025 /nfs/dbraw/zinc/70/40/25/589704025.db2.gz ZELYAWSTKKXQPK-VLEAKVRGSA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)(C[NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974776 589704190 /nfs/dbraw/zinc/70/41/90/589704190.db2.gz PRVOHHKZXFKHAH-JGPRNRPPSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870983785 589705042 /nfs/dbraw/zinc/70/50/42/589705042.db2.gz YFASWWKFKCNEDL-VWYCJHECSA-N 2 0 225.336 0.134 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)C[NH2+]C3CC3)CC[C@H]21 ZINC000870982256 589705541 /nfs/dbraw/zinc/70/55/41/589705541.db2.gz MDIJDXXCWBHZIH-CMPLNLGQSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@H](NC(=O)[C@@]1(F)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000870985971 589705723 /nfs/dbraw/zinc/70/57/23/589705723.db2.gz APPTWGVIMFDSHY-JOYOIKCWSA-N 2 0 243.326 0.192 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870984517 589705914 /nfs/dbraw/zinc/70/59/14/589705914.db2.gz XFASIXLBQZLRQG-SNVBAGLBSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@H](NC(=O)CC(C)(C)[NH3+])C1CC[NH2+]CC1 ZINC000870987179 589706352 /nfs/dbraw/zinc/70/63/52/589706352.db2.gz HXEPCVNGKWWXJC-VIFPVBQESA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870992084 589707491 /nfs/dbraw/zinc/70/74/91/589707491.db2.gz IBRGXLYQRIBZHN-GWCFXTLKSA-N 2 0 241.379 0.947 20 0 BCADRP C[NH+](C)CC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870991356 589707601 /nfs/dbraw/zinc/70/76/01/589707601.db2.gz JEOHKBQRUMGPIU-ZDUSSCGKSA-N 2 0 241.379 0.772 20 0 BCADRP C[NH+](C)CC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870991353 589708019 /nfs/dbraw/zinc/70/80/19/589708019.db2.gz JEOHKBQRUMGPIU-CYBMUJFWSA-N 2 0 241.379 0.772 20 0 BCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CC[NH3+])C1 ZINC000870993783 589708029 /nfs/dbraw/zinc/70/80/29/589708029.db2.gz MIWFHMRQDJPWQV-LBPRGKRZSA-N 2 0 227.352 0.559 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870991648 589708123 /nfs/dbraw/zinc/70/81/23/589708123.db2.gz FXQDZWDVTIXCES-CABZTGNLSA-N 2 0 227.352 0.557 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870994917 589708164 /nfs/dbraw/zinc/70/81/64/589708164.db2.gz YDSDFMKJZQOIDK-GXFFZTMASA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000870991006 589708183 /nfs/dbraw/zinc/70/81/83/589708183.db2.gz CPVOMKKJTJHNAR-NRUUGDAUSA-N 2 0 239.363 0.557 20 0 BCADRP CC[N@H+](CCNC(=[NH2+])N(C)CCOC)C1CC1 ZINC000871603810 589770323 /nfs/dbraw/zinc/77/03/23/589770323.db2.gz ISLNAYYZRRIJKT-UHFFFAOYSA-N 2 0 242.367 0.573 20 0 BCADRP COCCN(C)C(=[NH2+])NCCC[N@H+](C)C(C)C ZINC000871603504 589774165 /nfs/dbraw/zinc/77/41/65/589774165.db2.gz WFICRWVLPGQDRI-UHFFFAOYSA-N 2 0 244.383 0.819 20 0 BCADRP [NH3+]CCCN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150930 589885003 /nfs/dbraw/zinc/88/50/03/589885003.db2.gz HNRXEFZMKZGUJU-JGVFFNPUSA-N 2 0 225.258 0.404 20 0 BCADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOC[C@H]2O)CC1(C)C ZINC000872140510 589881576 /nfs/dbraw/zinc/88/15/76/589881576.db2.gz PRGHQCSHBOEXLG-IJLUTSLNSA-N 2 0 242.363 0.599 20 0 BCADRP OCC1(CO)CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000872145953 589884008 /nfs/dbraw/zinc/88/40/08/589884008.db2.gz AEXFBCCGYXRDTI-GFCCVEGCSA-N 2 0 242.363 0.053 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@H]1CC2(CCC2)CO1 ZINC000872145724 589884448 /nfs/dbraw/zinc/88/44/48/589884448.db2.gz WJBIQNQVVXDKQS-GFCCVEGCSA-N 2 0 242.363 0.853 20 0 BCADRP C[N@H+](CCCCCC[NH3+])C[C@@H]1CNCCO1 ZINC000872156168 589886449 /nfs/dbraw/zinc/88/64/49/589886449.db2.gz FPLDHPKENAVWTH-LBPRGKRZSA-N 2 0 229.368 0.426 20 0 BCADRP [NH3+][C@H](CC(=O)NCC[NH+]1CCCCC1)C1CC1 ZINC000123982103 589889374 /nfs/dbraw/zinc/88/93/74/589889374.db2.gz DUVLCKLYOVIUFW-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH+]1CCC(CNC(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000123988938 589889466 /nfs/dbraw/zinc/88/94/66/589889466.db2.gz XIYSCFNZLPMDAQ-LBPRGKRZSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872201713 589890821 /nfs/dbraw/zinc/89/08/21/589890821.db2.gz HXKXTPSUUIIIEX-MNOVXSKESA-N 2 0 232.368 0.438 20 0 BCADRP CCCN1CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000872215892 589895105 /nfs/dbraw/zinc/89/51/05/589895105.db2.gz JOAMEMNUFXCWIW-VXGBXAGGSA-N 2 0 244.379 0.582 20 0 BCADRP CS[C@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000872224865 589897498 /nfs/dbraw/zinc/89/74/98/589897498.db2.gz PJUCGZQAKNYJEI-SRVKXCTJSA-N 2 0 244.404 0.927 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872258054 589901305 /nfs/dbraw/zinc/90/13/05/589901305.db2.gz RPDOKKKSEIIFEA-GRYCIOLGSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[NH2+]CCC1(C)C ZINC000872290357 589906260 /nfs/dbraw/zinc/90/62/60/589906260.db2.gz NBSLCPVGGGAWDR-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[NH2+]CCC1(C)C ZINC000872290358 589906838 /nfs/dbraw/zinc/90/68/38/589906838.db2.gz NBSLCPVGGGAWDR-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[NH2+]CCC1(C)C ZINC000872296951 589907300 /nfs/dbraw/zinc/90/73/00/589907300.db2.gz CLIXZDZFJSRAMQ-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872293222 589907481 /nfs/dbraw/zinc/90/74/81/589907481.db2.gz LNKYCDDABZMXLP-QYTUQVAYSA-N 2 0 237.347 0.371 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH2+]CCC1(C)C ZINC000872298680 589907871 /nfs/dbraw/zinc/90/78/71/589907871.db2.gz PQMKTZAAMQPNCO-SNVBAGLBSA-N 2 0 239.363 0.727 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)CC[NH2+]C1CC1 ZINC000872301824 589908345 /nfs/dbraw/zinc/90/83/45/589908345.db2.gz UZWAORAYWUTYKB-UHFFFAOYSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872309020 589908842 /nfs/dbraw/zinc/90/88/42/589908842.db2.gz MTKRTAAICQIVNM-SSSAOXCUSA-N 2 0 223.320 0.062 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872310852 589909464 /nfs/dbraw/zinc/90/94/64/589909464.db2.gz OVQSJNBXUUZEOC-KKOKHZNYSA-N 2 0 239.363 0.748 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000872311582 589909616 /nfs/dbraw/zinc/90/96/16/589909616.db2.gz RPDLWAOAKCNJSN-WRYZSIRCSA-N 2 0 249.358 0.467 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000124089784 589940542 /nfs/dbraw/zinc/94/05/42/589940542.db2.gz LLZOFOLCNBVRLH-NEPJUHHUSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH+](C)C[C@H]1CC[N@H+](CCC2OCCO2)C1 ZINC000124301430 589974048 /nfs/dbraw/zinc/97/40/48/589974048.db2.gz FTCNGBDPNBNHGB-LLVKDONJSA-N 2 0 228.336 0.633 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cnc(N)cn1 ZINC000873212197 589995807 /nfs/dbraw/zinc/99/58/07/589995807.db2.gz JSYIRIQXOHWYGQ-VIFPVBQESA-N 2 0 223.324 0.666 20 0 BCADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cnc(N)cn1 ZINC000873211508 589996155 /nfs/dbraw/zinc/99/61/55/589996155.db2.gz AQOKFRBISGANQH-QMMMGPOBSA-N 2 0 209.297 0.276 20 0 BCADRP Nc1cnc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cn1 ZINC000873212167 589996371 /nfs/dbraw/zinc/99/63/71/589996371.db2.gz IYIJNJJJCMFLRN-JTQLQIEISA-N 2 0 233.319 0.291 20 0 BCADRP C[C@@H](O)C[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211494 589996398 /nfs/dbraw/zinc/99/63/98/589996398.db2.gz AFHLOTQNJDSCBK-MRVPVSSYSA-N 2 0 226.345 0.864 20 0 BCADRP Nc1cnc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000873212168 589996438 /nfs/dbraw/zinc/99/64/38/589996438.db2.gz IYIJNJJJCMFLRN-SNVBAGLBSA-N 2 0 233.319 0.291 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cnc(N)cn1 ZINC000873214087 589997292 /nfs/dbraw/zinc/99/72/92/589997292.db2.gz XNWCGJNBHZNBAE-BDAKNGLRSA-N 2 0 221.308 0.370 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(CC(C)(C)[NH3+])CC[C@H]21 ZINC000873221444 589999553 /nfs/dbraw/zinc/99/95/53/589999553.db2.gz KLVCQGFTZXUIDT-WDEREUQCSA-N 2 0 211.353 0.750 20 0 BCADRP C[C@H]([NH2+][C@@H]1CCCNC1)C1CC[NH2+]CC1 ZINC000873221059 589999773 /nfs/dbraw/zinc/99/97/73/589999773.db2.gz ZBXONSPDTFZLHR-CMPLNLGQSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H]([NH2+][C@@H]1CNC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873221019 590000018 /nfs/dbraw/zinc/00/00/18/590000018.db2.gz XEWXGMHXMPNWDI-LOWVWBTDSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[NH2+]1 ZINC000873228997 590000866 /nfs/dbraw/zinc/00/08/66/590000866.db2.gz NAIURGVKBYRUCZ-YIYPIFLZSA-N 3 0 237.391 0.916 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(CC13CC(C1)C[NH2+]3)C2 ZINC000873229017 590001119 /nfs/dbraw/zinc/00/11/19/590001119.db2.gz NYLNEZPYYGKOSG-CMOBGSAGSA-N 2 0 221.348 0.280 20 0 BCADRP C(N[C@@]12CCC[C@H]1[NH2+]CC2)C12CC(C1)C[NH2+]2 ZINC000873232390 590002568 /nfs/dbraw/zinc/00/25/68/590002568.db2.gz XVPVPHPWLSNMBK-POOIEITISA-N 2 0 221.348 0.613 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000873239385 590005782 /nfs/dbraw/zinc/00/57/82/590005782.db2.gz VGBWDWAKZWSSBL-QMNVILFCSA-N 2 0 222.332 0.879 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873248427 590006898 /nfs/dbraw/zinc/00/68/98/590006898.db2.gz ACJQWYPENUOAIO-WYUUTHIRSA-N 3 0 211.353 0.831 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccn(C)n1 ZINC000873250927 590008310 /nfs/dbraw/zinc/00/83/10/590008310.db2.gz RUTJDJAPTXAAPI-BBBLOLIVSA-N 2 0 208.309 0.808 20 0 BCADRP C[C@H](Cn1cccn1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873252670 590008850 /nfs/dbraw/zinc/00/88/50/590008850.db2.gz VAWAWVVNIWXTGF-MXWKQRLJSA-N 2 0 208.309 0.599 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000873255970 590010911 /nfs/dbraw/zinc/01/09/11/590010911.db2.gz KGLJNMWLYHXWJE-FDYHWXHSSA-N 3 0 223.364 0.940 20 0 BCADRP CC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000873257762 590012139 /nfs/dbraw/zinc/01/21/39/590012139.db2.gz XBTBGHSHSSDCID-BJDJZHNGSA-N 3 0 211.353 0.844 20 0 BCADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257509 590012178 /nfs/dbraw/zinc/01/21/78/590012178.db2.gz TVWPPJKUYZSHDC-UZWSLXQKSA-N 2 0 223.364 0.796 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000873257480 590012599 /nfs/dbraw/zinc/01/25/99/590012599.db2.gz IFLAKONLZXWHAJ-XYPYZODXSA-N 3 0 211.353 0.798 20 0 BCADRP COC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)C1CCOCC1 ZINC000873258475 590012824 /nfs/dbraw/zinc/01/28/24/590012824.db2.gz RGIUMKJRDDLEIM-RAIGVLPGSA-N 2 0 242.363 0.755 20 0 BCADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1[NH3+])C1CC[NH2+]CC1 ZINC000873271147 590016310 /nfs/dbraw/zinc/01/63/10/590016310.db2.gz FFKIDKBPSUTFHG-DLOVCJGASA-N 3 0 211.353 0.844 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000873282670 590019177 /nfs/dbraw/zinc/01/91/77/590019177.db2.gz KSYTYYOTCYBOOF-ZJUUUORDSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@@H](NC[C@H]1Cc2ccccc2C[NH2+]1)C1C[NH2+]C1 ZINC000873297198 590024644 /nfs/dbraw/zinc/02/46/44/590024644.db2.gz TYCZSNCBDORPSG-IAQYHMDHSA-N 2 0 245.370 0.898 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873297568 590024921 /nfs/dbraw/zinc/02/49/21/590024921.db2.gz YEWCULDRDISGOA-BJDJZHNGSA-N 2 0 212.337 0.735 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000124617090 590067615 /nfs/dbraw/zinc/06/76/15/590067615.db2.gz LDTJNHLPCMPQKK-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH+](CC)CCNC(=O)C[NH+]1CCCC1 ZINC000873721969 590068720 /nfs/dbraw/zinc/06/87/20/590068720.db2.gz NRHSHVRNACAFOO-UHFFFAOYSA-N 2 0 227.352 0.540 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000874125470 590093167 /nfs/dbraw/zinc/09/31/67/590093167.db2.gz XUUGVTJMWBQIJC-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C)[NH+](C)C ZINC000874822160 590141185 /nfs/dbraw/zinc/14/11/85/590141185.db2.gz GKIBRNVPZUCDEM-GRYCIOLGSA-N 2 0 239.363 0.632 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000876501408 590203300 /nfs/dbraw/zinc/20/33/00/590203300.db2.gz OMKAFFBGXUBFBS-HHVVOZNKSA-N 2 0 237.347 0.348 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)C1 ZINC000876504579 590204136 /nfs/dbraw/zinc/20/41/36/590204136.db2.gz PTOKSGQXTJFNOI-RUULKOMLSA-N 2 0 237.347 0.363 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)C1 ZINC000876504577 590204206 /nfs/dbraw/zinc/20/42/06/590204206.db2.gz PTOKSGQXTJFNOI-GKUNOOHESA-N 2 0 237.347 0.363 20 0 BCADRP [NH3+]CCCNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876505421 590204552 /nfs/dbraw/zinc/20/45/52/590204552.db2.gz UQQVSNGQSCWFFR-UMCURTJPSA-N 2 0 211.309 0.007 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000876508865 590205062 /nfs/dbraw/zinc/20/50/62/590205062.db2.gz APWHNTAVOXWLBY-BBBLOLIVSA-N 2 0 213.325 0.452 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876510660 590205534 /nfs/dbraw/zinc/20/55/34/590205534.db2.gz XIDWXTIVZBEZIL-ZJUUUORDSA-N 2 0 227.352 0.476 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000876514194 590205859 /nfs/dbraw/zinc/20/58/59/590205859.db2.gz UQKRYJSRIMLFDJ-ONGXEEELSA-N 2 0 223.320 0.231 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000876514192 590206002 /nfs/dbraw/zinc/20/60/02/590206002.db2.gz UQKRYJSRIMLFDJ-MWLCHTKSSA-N 2 0 223.320 0.231 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000876514029 590206111 /nfs/dbraw/zinc/20/61/11/590206111.db2.gz SBEVVDPNAZRIGA-OUAUKWLOSA-N 2 0 239.363 0.476 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876518627 590206808 /nfs/dbraw/zinc/20/68/08/590206808.db2.gz HROZDOJKXCPMCZ-NRFYAWERSA-N 2 0 225.336 0.396 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)C1 ZINC000876517972 590207006 /nfs/dbraw/zinc/20/70/06/590207006.db2.gz IGLFCAQJUOMWDC-GMTAPVOTSA-N 2 0 243.326 0.144 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000876519763 590207040 /nfs/dbraw/zinc/20/70/40/590207040.db2.gz MODSPMIFSGNDMF-CIUDSAMLSA-N 2 0 247.289 0.037 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000876522021 590207267 /nfs/dbraw/zinc/20/72/67/590207267.db2.gz FGMDWWVFUJVTAV-KXUCPTDWSA-N 2 0 225.336 0.228 20 0 BCADRP O=C(NCC[NH2+]C1CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876522251 590207703 /nfs/dbraw/zinc/20/77/03/590207703.db2.gz LUUXDVMUEIJQLK-YPMHNXCESA-N 2 0 237.347 0.387 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876524893 590208565 /nfs/dbraw/zinc/20/85/65/590208565.db2.gz VSRYUUYGDWDSOE-GHMZBOCLSA-N 2 0 245.342 0.438 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876524434 590208788 /nfs/dbraw/zinc/20/87/88/590208788.db2.gz QJQQFIPRPAUBGN-SKDRFNHKSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000876526799 590208914 /nfs/dbraw/zinc/20/89/14/590208914.db2.gz GPQTWGCBDMGHBJ-AXFHLTTASA-N 2 0 239.363 0.428 20 0 BCADRP [NH3+]CC1(NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CCCC1 ZINC000876530643 590209769 /nfs/dbraw/zinc/20/97/69/590209769.db2.gz OWMQNLPSOCTQRC-ZJUUUORDSA-N 2 0 243.326 0.322 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000876530342 590209825 /nfs/dbraw/zinc/20/98/25/590209825.db2.gz LZHKEIXLWOWPQW-NXEZZACHSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)C1CC1 ZINC000876530417 590209839 /nfs/dbraw/zinc/20/98/39/590209839.db2.gz QDSJIYIVHKDJLQ-OPQQBVKSSA-N 2 0 239.363 0.603 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876534640 590210727 /nfs/dbraw/zinc/21/07/27/590210727.db2.gz CQZGRUIHWWIICK-NHCYSSNCSA-N 2 0 245.342 0.424 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876534852 590210786 /nfs/dbraw/zinc/21/07/86/590210786.db2.gz UGBBAGFBVGWEEF-IVZWLZJFSA-N 2 0 231.315 0.034 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876536111 590211141 /nfs/dbraw/zinc/21/11/41/590211141.db2.gz WDCDIFKSFBPREG-OYNCUSHFSA-N 2 0 249.305 0.316 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876538552 590211831 /nfs/dbraw/zinc/21/18/31/590211831.db2.gz KLRNPOOSXPITBV-JGVFFNPUSA-N 2 0 213.325 0.213 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876707130 590232237 /nfs/dbraw/zinc/23/22/37/590232237.db2.gz UCDBYNIQLGSGFM-QWRGUYRKSA-N 2 0 241.379 0.818 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876707131 590232456 /nfs/dbraw/zinc/23/24/56/590232456.db2.gz UCDBYNIQLGSGFM-WDEREUQCSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876724905 590233307 /nfs/dbraw/zinc/23/33/07/590233307.db2.gz BTINJWTYVLFETG-MNOVXSKESA-N 2 0 241.379 0.818 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000876736513 590234690 /nfs/dbraw/zinc/23/46/90/590234690.db2.gz UYZMVAKQMGLOIV-PAQYWAQKSA-N 2 0 239.363 0.464 20 0 BCADRP Cn1ccnc1CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876753431 590237868 /nfs/dbraw/zinc/23/78/68/590237868.db2.gz KUQCFMBVBLMNFB-WYGGZMRJSA-N 2 0 248.330 0.592 20 0 BCADRP [NH3+][C@H](CNC(=O)/C=C\[C@H]1CCC[NH2+]C1)C1CC1 ZINC000876790646 590241362 /nfs/dbraw/zinc/24/13/62/590241362.db2.gz AEFNZRRNFYGYCP-OOJSTFJISA-N 2 0 237.347 0.396 20 0 BCADRP CN1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC000876790177 590241641 /nfs/dbraw/zinc/24/16/41/590241641.db2.gz VKOBMQCPMSFOQB-RXNFCKPNSA-N 2 0 237.347 0.316 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000876792000 590241750 /nfs/dbraw/zinc/24/17/50/590241750.db2.gz QWEQKJSVSLNJCV-QIOFFNHISA-N 2 0 237.347 0.252 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CC[NH2+]C ZINC000876791914 590241792 /nfs/dbraw/zinc/24/17/92/590241792.db2.gz KAYPZUBZINZRQH-XKFHPXPTSA-N 2 0 225.336 0.076 20 0 BCADRP C[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC000876792548 590241917 /nfs/dbraw/zinc/24/19/17/590241917.db2.gz QRLJJYPANMGIFB-UHFFFAOYSA-N 2 0 229.368 0.642 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000876792001 590242015 /nfs/dbraw/zinc/24/20/15/590242015.db2.gz QWEQKJSVSLNJCV-UUVRSJSRSA-N 2 0 237.347 0.252 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@@H](C)C[NH2+]1 ZINC000876796796 590242437 /nfs/dbraw/zinc/24/24/37/590242437.db2.gz JDLLUUBAMZISJY-VPOLOUISSA-N 2 0 239.363 0.569 20 0 BCADRP [NH3+]C1(CNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CCC1 ZINC000876798669 590242695 /nfs/dbraw/zinc/24/26/95/590242695.db2.gz KWWYNHWQOBCYAL-MFKMUULPSA-N 2 0 237.347 0.516 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876813871 590245271 /nfs/dbraw/zinc/24/52/71/590245271.db2.gz YAQJBWLVGTWKQS-RCWTZXSCSA-N 2 0 239.363 0.474 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1(F)F ZINC000876828542 590246636 /nfs/dbraw/zinc/24/66/36/590246636.db2.gz APSFKOQZFALNSZ-FNCVBFRFSA-N 2 0 247.289 0.213 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000876829758 590246862 /nfs/dbraw/zinc/24/68/62/590246862.db2.gz XYYNJVUGQVIPNK-LMLFDSFASA-N 2 0 239.363 0.746 20 0 BCADRP COc1cccc([C@H]([NH3+])C(=O)N[C@@H](C)C[NH3+])c1 ZINC000876829269 590246899 /nfs/dbraw/zinc/24/68/99/590246899.db2.gz FTFZSSAACOAGBJ-KWQFWETISA-N 2 0 237.303 0.158 20 0 BCADRP CC1(C)[C@H](C(=O)N2CCC(C)([NH3+])CC2)C[C@@H]1[NH3+] ZINC000876827707 590246930 /nfs/dbraw/zinc/24/69/30/590246930.db2.gz SFFYFLAOQXVDNE-UWVGGRQHSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876831767 590247809 /nfs/dbraw/zinc/24/78/09/590247809.db2.gz JUBGRIBHRUTKGO-KZVJFYERSA-N 2 0 247.289 0.035 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876833733 590247945 /nfs/dbraw/zinc/24/79/45/590247945.db2.gz KHPHYHWVZKWTLH-NAKRPEOUSA-N 2 0 243.326 0.191 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876836528 590248410 /nfs/dbraw/zinc/24/84/10/590248410.db2.gz BEDLPYMFLZEXFB-PBWNMSGQSA-N 2 0 239.363 0.656 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876836653 590248424 /nfs/dbraw/zinc/24/84/24/590248424.db2.gz FOWWJTMNHVDCMZ-OPRDCNLKSA-N 2 0 227.352 0.474 20 0 BCADRP C[NH+](C)CCNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876848390 590249349 /nfs/dbraw/zinc/24/93/49/590249349.db2.gz RVTUXDPSNSXYIF-GZTOBOFZSA-N 2 0 225.336 0.220 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876850690 590249398 /nfs/dbraw/zinc/24/93/98/590249398.db2.gz AGGQWLWTHGWYEI-KQXIARHKSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000876847669 590249500 /nfs/dbraw/zinc/24/95/00/590249500.db2.gz DLBHQRDHFJOBEX-CDLYGTGVSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876854224 590250068 /nfs/dbraw/zinc/25/00/68/590250068.db2.gz GHCRMRAKFCKZAS-CIUDSAMLSA-N 2 0 249.305 0.460 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876854430 590250127 /nfs/dbraw/zinc/25/01/27/590250127.db2.gz GLLUIPZUCQERBD-GMTAPVOTSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876858016 590250161 /nfs/dbraw/zinc/25/01/61/590250161.db2.gz NFJFNWJRKQAFBK-JIVBQCDMSA-N 2 0 239.363 0.786 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000876861238 590250543 /nfs/dbraw/zinc/25/05/43/590250543.db2.gz UNZRDUJGKSICAL-DZTGAUDGSA-N 2 0 225.336 0.250 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000876864192 590250948 /nfs/dbraw/zinc/25/09/48/590250948.db2.gz LCHSZDXUFSFUSL-BDAKNGLRSA-N 2 0 245.273 0.147 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000876871774 590251825 /nfs/dbraw/zinc/25/18/25/590251825.db2.gz WTWHWVAYGDBJSR-TUAOUCFPSA-N 2 0 237.347 0.149 20 0 BCADRP CC1(C)CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC[NH2+]1 ZINC000876872338 590252019 /nfs/dbraw/zinc/25/20/19/590252019.db2.gz BAUBGGQWZNGSJL-YUMQZZPRSA-N 2 0 247.289 0.037 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000876884592 590253455 /nfs/dbraw/zinc/25/34/55/590253455.db2.gz FCQCXFAUAWRFCG-WOPDTQHZSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000876913666 590256623 /nfs/dbraw/zinc/25/66/23/590256623.db2.gz SPCXSLFSGHNPAO-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876916169 590256972 /nfs/dbraw/zinc/25/69/72/590256972.db2.gz MUJNXHBIIUBLNO-GUBZILKMSA-N 2 0 245.342 0.424 20 0 BCADRP C[NH2+]CCCN(C)C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876921897 590257489 /nfs/dbraw/zinc/25/74/89/590257489.db2.gz MIIJUWKEMFRYSN-NNNHXZLVSA-N 2 0 239.363 0.610 20 0 BCADRP CC1(C)[C@H](C(=O)NCCCCCC[NH3+])C[C@@H]1[NH3+] ZINC000876938263 590258856 /nfs/dbraw/zinc/25/88/56/590258856.db2.gz XEGBOODHEIWMKL-QWRGUYRKSA-N 2 0 241.379 0.995 20 0 BCADRP C[C@H](C(=O)NCCCCCC[NH3+])[NH+](C)C ZINC000876938129 590258922 /nfs/dbraw/zinc/25/89/22/590258922.db2.gz QWRJATOEUUNNIY-SNVBAGLBSA-N 2 0 215.341 0.572 20 0 BCADRP O=C(NCCC[NH2+]C1CC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876938464 590259129 /nfs/dbraw/zinc/25/91/29/590259129.db2.gz GBYLXHANZDBRQJ-KOLCDFICSA-N 2 0 243.326 0.192 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CC[NH2+]CC1CC1 ZINC000876951803 590260370 /nfs/dbraw/zinc/26/03/70/590260370.db2.gz GPMCLLQKRVXRCW-ZYHUDNBSSA-N 2 0 239.363 0.714 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876958032 590260769 /nfs/dbraw/zinc/26/07/69/590260769.db2.gz PGZLOYSJULRSNH-JMEBYUIHSA-N 2 0 239.363 0.738 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)[NH+](C)C ZINC000876960674 590261560 /nfs/dbraw/zinc/26/15/60/590261560.db2.gz JQZFDXKDBSZTMX-VWYCJHECSA-N 2 0 241.379 0.816 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000876974714 590263652 /nfs/dbraw/zinc/26/36/52/590263652.db2.gz QSKRGXQHBDZXOC-CABQIACGSA-N 2 0 237.347 0.228 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876977808 590264019 /nfs/dbraw/zinc/26/40/19/590264019.db2.gz FYURYQUOJCGJRD-PFDYWKIBSA-N 2 0 225.336 0.266 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000876979891 590264308 /nfs/dbraw/zinc/26/43/08/590264308.db2.gz BHWQZJKFYCELRS-LNLATYFQSA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000876998723 590267550 /nfs/dbraw/zinc/26/75/50/590267550.db2.gz QGYVVQRLSYWTCX-ZYHUDNBSSA-N 2 0 239.363 0.583 20 0 BCADRP CCN(CC[NH3+])C(=O)CC[NH2+]CC1CC1 ZINC000877005413 590268106 /nfs/dbraw/zinc/26/81/06/590268106.db2.gz FLGIHVNOTOSWRA-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP [NH3+][C@H](CC(=O)N[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000877006277 590268472 /nfs/dbraw/zinc/26/84/72/590268472.db2.gz ZHMUPSYOLSPCAR-GHMZBOCLSA-N 2 0 237.347 0.515 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C[NH2+]1 ZINC000877052332 590275461 /nfs/dbraw/zinc/27/54/61/590275461.db2.gz QPZDIXXSODRZIR-QCNOEVLYSA-N 2 0 239.363 0.761 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877095082 590278716 /nfs/dbraw/zinc/27/87/16/590278716.db2.gz INUVSFNMSCEPON-PSASIEDQSA-N 2 0 201.314 0.310 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000877095652 590282087 /nfs/dbraw/zinc/28/20/87/590282087.db2.gz NYIIBQBIKRVDAZ-HTQZYQBOSA-N 2 0 201.314 0.165 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000877102216 590283247 /nfs/dbraw/zinc/28/32/47/590283247.db2.gz BYNHNBNECDSNFL-YUMQZZPRSA-N 2 0 235.278 0.037 20 0 BCADRP CC[C@]1(C(=O)N(C)C[C@H](C)[NH3+])CCC[NH2+]1 ZINC000877103476 590283557 /nfs/dbraw/zinc/28/35/57/590283557.db2.gz VGCPADVWVPEYSY-GXSJLCMTSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000877102674 590283655 /nfs/dbraw/zinc/28/36/55/590283655.db2.gz LAORDQKEHWPHND-DCAQKATOSA-N 2 0 227.352 0.665 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000877103596 590284000 /nfs/dbraw/zinc/28/40/00/590284000.db2.gz PTYWIBFFROKJPR-LLVKDONJSA-N 2 0 241.379 0.912 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH3+] ZINC000877103922 590284013 /nfs/dbraw/zinc/28/40/13/590284013.db2.gz WUNAYMQSOVPWBY-QWRGUYRKSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000877103679 590284201 /nfs/dbraw/zinc/28/42/01/590284201.db2.gz XTWINKRVSQIPHY-UMNHJUIQSA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH3+])[NH+](C)C ZINC000877103640 590284318 /nfs/dbraw/zinc/28/43/18/590284318.db2.gz XBKJWWYLKQHAIA-UWVGGRQHSA-N 2 0 215.341 0.378 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000877104819 590284621 /nfs/dbraw/zinc/28/46/21/590284621.db2.gz KEBTZDJKBUUXFH-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000877105884 590284916 /nfs/dbraw/zinc/28/49/16/590284916.db2.gz STXJUFPOQYZCHZ-KXUCPTDWSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)c1cccc2c1CC[NH2+]C2 ZINC000877106862 590285237 /nfs/dbraw/zinc/28/52/37/590285237.db2.gz XGCPAENJHQTALV-SNVBAGLBSA-N 2 0 247.342 0.752 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@H](C)[NH3+] ZINC000877107984 590286134 /nfs/dbraw/zinc/28/61/34/590286134.db2.gz NQDLYDAZXDYMET-IHJCATOESA-N 2 0 225.336 0.204 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000877108738 590286524 /nfs/dbraw/zinc/28/65/24/590286524.db2.gz WGPSVCHVPPFBJD-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CCCCC[NH3+] ZINC000877109255 590287063 /nfs/dbraw/zinc/28/70/63/590287063.db2.gz DKURRGRJPFSLOP-VHSXEESVSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000877111940 590287250 /nfs/dbraw/zinc/28/72/50/590287250.db2.gz PDEFQOFAUQZOBS-AXTSPUMRSA-N 2 0 225.336 0.226 20 0 BCADRP [NH3+]CCOCC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877134639 590290939 /nfs/dbraw/zinc/29/09/39/590290939.db2.gz WHDWLLIKLWPFER-NWDGAFQWSA-N 2 0 249.314 0.415 20 0 BCADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000877137250 590291224 /nfs/dbraw/zinc/29/12/24/590291224.db2.gz RHIKGYQHFBASGC-QJPTWQEYSA-N 2 0 231.299 0.802 20 0 BCADRP C[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)[C@H](C)[NH3+] ZINC000877153178 590292492 /nfs/dbraw/zinc/29/24/92/590292492.db2.gz UHUYKPUWKJDEPI-VWYCJHECSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877150844 590292990 /nfs/dbraw/zinc/29/29/90/590292990.db2.gz DFXNKUTVWPOWBL-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000877172884 590293866 /nfs/dbraw/zinc/29/38/66/590293866.db2.gz UWONWPLJRZOCPX-RGOKHQFPSA-N 2 0 225.336 0.308 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000877172886 590293948 /nfs/dbraw/zinc/29/39/48/590293948.db2.gz UWONWPLJRZOCPX-XFWSIPNHSA-N 2 0 225.336 0.308 20 0 BCADRP CC(C)([NH3+])C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877158037 590294210 /nfs/dbraw/zinc/29/42/10/590294210.db2.gz OSTBELYGJIBRFI-VIFPVBQESA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCCCC[NH3+] ZINC000877177949 590297271 /nfs/dbraw/zinc/29/72/71/590297271.db2.gz XGGMIKZHJYBUCI-NXEZZACHSA-N 2 0 213.325 0.454 20 0 BCADRP O=C(CCC12CC(C1)C[NH2+]2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877172866 590296253 /nfs/dbraw/zinc/29/62/53/590296253.db2.gz YGUUUTLLIBTKBV-OEIYDUSMSA-N 2 0 249.358 0.481 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877172602 590296314 /nfs/dbraw/zinc/29/63/14/590296314.db2.gz URJMEOIVWRRGRX-YTWAJWBKSA-N 2 0 237.347 0.323 20 0 BCADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877171577 590296423 /nfs/dbraw/zinc/29/64/23/590296423.db2.gz BJMUQYKQHRDOLW-PEGWKCJBSA-N 2 0 249.358 0.505 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CCCCCC[NH3+] ZINC000877173277 590296585 /nfs/dbraw/zinc/29/65/85/590296585.db2.gz BXHFYGVLQZNIBB-MNOVXSKESA-N 2 0 227.352 0.844 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc(C[NH3+])c1 ZINC000877174121 590296868 /nfs/dbraw/zinc/29/68/68/590296868.db2.gz AOPLNSMQNWFDSE-JOYOIKCWSA-N 2 0 233.315 0.707 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)CCCCC[NH3+] ZINC000877177950 590297251 /nfs/dbraw/zinc/29/72/51/590297251.db2.gz XGGMIKZHJYBUCI-UWVGGRQHSA-N 2 0 213.325 0.454 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000877187562 590298450 /nfs/dbraw/zinc/29/84/50/590298450.db2.gz BBGHLMNKCUNHBZ-QGPNDVEFSA-N 2 0 249.358 0.468 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)CC[NH2+]C1CC1 ZINC000877186535 590298477 /nfs/dbraw/zinc/29/84/77/590298477.db2.gz PSXDRFFIISEXDF-UHFFFAOYSA-N 2 0 237.347 0.611 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877192286 590299151 /nfs/dbraw/zinc/29/91/51/590299151.db2.gz KIZULHCPDSWTDR-YDGIUTOCSA-N 2 0 239.363 0.986 20 0 BCADRP C[C@@]1(C(=O)N2C3CCC2(C[NH3+])CC3)CC[NH2+]C1 ZINC000877193269 590299404 /nfs/dbraw/zinc/29/94/04/590299404.db2.gz YTESBRNTAJUAFO-YXMLORGKSA-N 2 0 237.347 0.468 20 0 BCADRP C[NH2+]CCCC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877193185 590299419 /nfs/dbraw/zinc/29/94/19/590299419.db2.gz WMXCKIIQWBEACR-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP C[N@H+](CC(=O)NC[C@H]1C[C@@H]([NH3+])C1)CC(C)(C)C ZINC000877241208 590302127 /nfs/dbraw/zinc/30/21/27/590302127.db2.gz NAROLZDEMLJIKS-PHIMTYICSA-N 2 0 241.379 0.818 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877241789 590302160 /nfs/dbraw/zinc/30/21/60/590302160.db2.gz YIBYCYPPUKILRR-UTINFBMNSA-N 2 0 225.336 0.213 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877243026 590302809 /nfs/dbraw/zinc/30/28/09/590302809.db2.gz KTZXTHSRUFOCEY-AXFHLTTASA-N 2 0 239.363 0.618 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877242921 590302848 /nfs/dbraw/zinc/30/28/48/590302848.db2.gz AFJNGUSWPPFWCB-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000877245490 590303299 /nfs/dbraw/zinc/30/32/99/590303299.db2.gz DKPJQZVUIIKWTD-WISYIIOYSA-N 2 0 239.363 0.583 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3CCC[NH2+]3)CC[C@@H]21 ZINC000877250326 590303589 /nfs/dbraw/zinc/30/35/89/590303589.db2.gz PEGXUAWKFUXPFX-TUAOUCFPSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000877253486 590304258 /nfs/dbraw/zinc/30/42/58/590304258.db2.gz ZNCLIQMFOZIKHZ-IEBDPFPHSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H](C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)[NH+](C)C ZINC000877271011 590304896 /nfs/dbraw/zinc/30/48/96/590304896.db2.gz AQINKICVXQRVIZ-VWYCJHECSA-N 2 0 225.336 0.289 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000877264988 590305156 /nfs/dbraw/zinc/30/51/56/590305156.db2.gz DPLFGEWGHCXRTN-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877273223 590305317 /nfs/dbraw/zinc/30/53/17/590305317.db2.gz CNWRXZUWYQJEKK-DCAQKATOSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877271840 590305563 /nfs/dbraw/zinc/30/55/63/590305563.db2.gz FHJNUQBATIZHBP-UTLUCORTSA-N 2 0 211.309 0.077 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877272291 590305618 /nfs/dbraw/zinc/30/56/18/590305618.db2.gz HIVBKTAJHCAEEU-MXWKQRLJSA-N 2 0 225.336 0.337 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877283408 590306938 /nfs/dbraw/zinc/30/69/38/590306938.db2.gz PFBNTBFCBQXQAY-UTLUCORTSA-N 2 0 211.309 0.077 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877288094 590307405 /nfs/dbraw/zinc/30/74/05/590307405.db2.gz NKWYPALIOFELHZ-UWVGGRQHSA-N 2 0 211.309 0.078 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000877291943 590307854 /nfs/dbraw/zinc/30/78/54/590307854.db2.gz RTVNXHIZUOKOIN-QXEWZRGKSA-N 2 0 229.299 0.074 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877342829 590317787 /nfs/dbraw/zinc/31/77/87/590317787.db2.gz FWWKABKVOPGZFB-GXFFZTMASA-N 2 0 247.342 0.412 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877344370 590319162 /nfs/dbraw/zinc/31/91/62/590319162.db2.gz XSSAKNGDTXZWIJ-ZDUSSCGKSA-N 2 0 247.342 0.427 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C1CC[NH2+]CC1)C2 ZINC000877379253 590319633 /nfs/dbraw/zinc/31/96/33/590319633.db2.gz HFRTYOVIRYGGGU-WCQYABFASA-N 2 0 237.347 0.054 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877375475 590319883 /nfs/dbraw/zinc/31/98/83/590319883.db2.gz YYLQEAGJEHAVLB-WCQYABFASA-N 2 0 239.363 0.396 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373719 590319921 /nfs/dbraw/zinc/31/99/21/590319921.db2.gz GRGSNYRWPAQAMD-GMXVVIOVSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)CCCCC[NH3+])C2 ZINC000877375226 590320108 /nfs/dbraw/zinc/32/01/08/590320108.db2.gz VPRVWQCVLIBQTA-WCQYABFASA-N 2 0 239.363 0.573 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)CC1([NH3+])CCC1)C2 ZINC000877380237 590320588 /nfs/dbraw/zinc/32/05/88/590320588.db2.gz YLQXJMZJHDBPIZ-CMPLNLGQSA-N 2 0 237.347 0.326 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877380220 590320778 /nfs/dbraw/zinc/32/07/78/590320778.db2.gz XVYVNXIHWMZYEI-UHTWSYAYSA-N 2 0 239.363 0.572 20 0 BCADRP O=C(CCC1C[NH2+]C1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877384602 590320800 /nfs/dbraw/zinc/32/08/00/590320800.db2.gz KFOYPCRQMUUJOQ-WCQYABFASA-N 2 0 237.347 0.387 20 0 BCADRP O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000877389429 590321438 /nfs/dbraw/zinc/32/14/38/590321438.db2.gz CQUDGIQAIIIZJT-WVWOOGAGSA-N 2 0 249.358 0.387 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877390726 590321936 /nfs/dbraw/zinc/32/19/36/590321936.db2.gz LVNOLGBWUGXOLR-WCABBAIRSA-N 2 0 211.309 0.125 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391488 590322090 /nfs/dbraw/zinc/32/20/90/590322090.db2.gz NZERPMMRIICRPQ-WCQYABFASA-N 2 0 239.363 0.729 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877390725 590322159 /nfs/dbraw/zinc/32/21/59/590322159.db2.gz LVNOLGBWUGXOLR-KKZNHRDASA-N 2 0 211.309 0.125 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877392577 590322473 /nfs/dbraw/zinc/32/24/73/590322473.db2.gz SRLITVKOOMJORM-HOSYDEDBSA-N 2 0 225.336 0.515 20 0 BCADRP [NH3+]C1(CC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CCC1 ZINC000877398819 590322754 /nfs/dbraw/zinc/32/27/54/590322754.db2.gz HJFHSJCSPOXJBA-GXFFZTMASA-N 2 0 237.347 0.659 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877399299 590323327 /nfs/dbraw/zinc/32/33/27/590323327.db2.gz MMRARHHSRZXWFL-GXFFZTMASA-N 2 0 239.363 0.905 20 0 BCADRP O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)C1CC[NH2+]CC1 ZINC000877400800 590323739 /nfs/dbraw/zinc/32/37/39/590323739.db2.gz WPRIJGYJEUXLMT-WCQYABFASA-N 2 0 237.347 0.387 20 0 BCADRP [NH3+]CCCC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877400072 590323819 /nfs/dbraw/zinc/32/38/19/590323819.db2.gz RXEWVKTUTNSROT-GXSJLCMTSA-N 2 0 211.309 0.126 20 0 BCADRP [NH3+]CCCC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877400075 590324193 /nfs/dbraw/zinc/32/41/93/590324193.db2.gz RXEWVKTUTNSROT-ONGXEEELSA-N 2 0 211.309 0.126 20 0 BCADRP C[C@H](C(=O)N(C)CCCCCC[NH3+])[NH+](C)C ZINC000877434271 590327096 /nfs/dbraw/zinc/32/70/96/590327096.db2.gz BZKWEKQVSGGFNY-LLVKDONJSA-N 2 0 229.368 0.914 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877438841 590328478 /nfs/dbraw/zinc/32/84/78/590328478.db2.gz XRUVFNQARVARMN-GDNZZTSVSA-N 2 0 239.363 0.429 20 0 BCADRP C[NH+]1CCC2(CC[N@@H+]([C@@H]3CCOC3=O)C2)CC1 ZINC000878864396 590634034 /nfs/dbraw/zinc/63/40/34/590634034.db2.gz AJGKAAUCCPXMHI-LLVKDONJSA-N 2 0 238.331 0.720 20 0 BCADRP C[NH+]1CCC2(CC[N@@H+]([C@H]3CCOC3=O)C2)CC1 ZINC000878864397 590634851 /nfs/dbraw/zinc/63/48/51/590634851.db2.gz AJGKAAUCCPXMHI-NSHDSACASA-N 2 0 238.331 0.720 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000127417360 590655441 /nfs/dbraw/zinc/65/54/41/590655441.db2.gz OQTFGPSQFCMGCG-OUAUKWLOSA-N 2 0 225.336 0.372 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(CC(=O)NC3CC3)CC[C@@H]21 ZINC000879567168 590805596 /nfs/dbraw/zinc/80/55/96/590805596.db2.gz NJMGIAUXSHIXGA-JQWIXIFHSA-N 2 0 237.347 0.291 20 0 BCADRP CC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573767 590808561 /nfs/dbraw/zinc/80/85/61/590808561.db2.gz RCUJKGZVFOUZPS-SDDRHHMPSA-N 2 0 212.337 0.783 20 0 BCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573656 590809414 /nfs/dbraw/zinc/80/94/14/590809414.db2.gz PJGBNSUXYPKZJP-QJPTWQEYSA-N 2 0 228.336 0.020 20 0 BCADRP C[C@H](CO)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580810 590820491 /nfs/dbraw/zinc/82/04/91/590820491.db2.gz KXVRWLOXWRPWLM-QJPTWQEYSA-N 2 0 212.337 0.641 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)C3CC3)CC[C@@H]21 ZINC000879580581 590821700 /nfs/dbraw/zinc/82/17/00/590821700.db2.gz UHLDXAQOPZTRTB-AGIUHOORSA-N 2 0 224.348 0.783 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN(C)C1(COC)CCC1 ZINC000880185174 590952679 /nfs/dbraw/zinc/95/26/79/590952679.db2.gz HTAKNWJKNWEQQG-GFCCVEGCSA-N 2 0 244.379 0.800 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COC)[C@H](C)C1 ZINC000129611507 591340434 /nfs/dbraw/zinc/34/04/34/591340434.db2.gz MFRHOGXEXLBVKN-GRYCIOLGSA-N 2 0 230.352 0.314 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000882486281 591360554 /nfs/dbraw/zinc/36/05/54/591360554.db2.gz PCROKQZMKMVLCI-MNOVXSKESA-N 2 0 225.336 0.291 20 0 BCADRP [NH3+][C@H](CC(=O)NCC[NH+]1CCCC1)C1CC1 ZINC000129772122 591402386 /nfs/dbraw/zinc/40/23/86/591402386.db2.gz SJTHJZZURBISQB-LLVKDONJSA-N 2 0 225.336 0.326 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000129790568 591404482 /nfs/dbraw/zinc/40/44/82/591404482.db2.gz KDIJGZARARVOFE-ONGXEEELSA-N 2 0 225.336 0.182 20 0 BCADRP Cn1ccnc1CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000129878005 591414446 /nfs/dbraw/zinc/41/44/46/591414446.db2.gz ZETCOFDCFBKGSG-VIFPVBQESA-N 2 0 222.292 0.164 20 0 BCADRP C[N@H+](CCNC(=O)C[C@@H]([NH3+])C1CC1)C1CC1 ZINC000129873114 591414530 /nfs/dbraw/zinc/41/45/30/591414530.db2.gz GGBBIYCACFJFIJ-LLVKDONJSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000129940567 591423912 /nfs/dbraw/zinc/42/39/12/591423912.db2.gz IAKUCNNBJCWKFH-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)[NH+](C)C ZINC000131118669 591554381 /nfs/dbraw/zinc/55/43/81/591554381.db2.gz ZLKYOPSJXOTPKL-SNVBAGLBSA-N 2 0 247.342 0.970 20 0 BCADRP COC[C@H]([NH2+]CCC[NH+](C)C)[C@H]1CCCOC1 ZINC000883164787 591558826 /nfs/dbraw/zinc/55/88/26/591558826.db2.gz ODCAMPAVUNWRSS-STQMWFEESA-N 2 0 244.379 0.969 20 0 BCADRP CCCN(C[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000883416812 591653153 /nfs/dbraw/zinc/65/31/53/591653153.db2.gz GCFCLKABAVTZDN-SRVKXCTJSA-N 2 0 229.343 0.760 20 0 BCADRP C[NH2+]C[C@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883416703 591653180 /nfs/dbraw/zinc/65/31/80/591653180.db2.gz BXVUZTLLLWOBOE-VWYCJHECSA-N 2 0 215.316 0.228 20 0 BCADRP C[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CC[C@H]1[NH3+] ZINC000883417746 591653713 /nfs/dbraw/zinc/65/37/13/591653713.db2.gz LOCVUXDAWHQOOS-VPOLOUISSA-N 2 0 215.316 0.356 20 0 BCADRP C[C@@H](C[NH3+])N(C)C[C@@H]1CCC2(CCOCC2)O1 ZINC000883418171 591653943 /nfs/dbraw/zinc/65/39/43/591653943.db2.gz ZOMQGJMBWDJWSU-RYUDHWBXSA-N 2 0 242.363 0.994 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883417890 591654771 /nfs/dbraw/zinc/65/47/71/591654771.db2.gz QIEHWZLSDNSWKS-BJDJZHNGSA-N 2 0 229.343 0.746 20 0 BCADRP C[NH+](C)CC1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883423641 591659059 /nfs/dbraw/zinc/65/90/59/591659059.db2.gz QLDDKTQXHYSCQR-STQMWFEESA-N 2 0 243.370 0.960 20 0 BCADRP CC(C)[NH+]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883423798 591659295 /nfs/dbraw/zinc/65/92/95/591659295.db2.gz VNPQPLBLHIRDHU-RYUDHWBXSA-N 2 0 229.343 0.712 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883438487 591659877 /nfs/dbraw/zinc/65/98/77/591659877.db2.gz UKEOEBGTGMZHLL-TUAOUCFPSA-N 2 0 229.343 0.890 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000883428296 591660813 /nfs/dbraw/zinc/66/08/13/591660813.db2.gz QKWGFRRYUVAUAA-NOOOWODRSA-N 2 0 227.327 0.370 20 0 BCADRP NC[C@H]([NH2+]CCn1cnnn1)C1CCCCC1 ZINC000883429814 591660895 /nfs/dbraw/zinc/66/08/95/591660895.db2.gz FTLWRWJPYJGOBO-NSHDSACASA-N 2 0 238.339 0.170 20 0 BCADRP [NH3+]CCC1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883435653 591665612 /nfs/dbraw/zinc/66/56/12/591665612.db2.gz YOUZZMVVADSRBF-RYUDHWBXSA-N 2 0 229.343 0.747 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1CN(C[C@@H]1C[C@H](F)C[NH2+]1)C2 ZINC000883435441 591665988 /nfs/dbraw/zinc/66/59/88/591665988.db2.gz SRIUPXKOVHBLSU-CYDGBPFRSA-N 2 0 241.354 0.747 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C[C@@H]3C[C@H](F)C[NH2+]3)CC[C@@H]21 ZINC000883438803 591666777 /nfs/dbraw/zinc/66/67/77/591666777.db2.gz CQDNSCUFRZWECS-CYDGBPFRSA-N 2 0 241.354 0.712 20 0 BCADRP CC1(C)CC[NH2+]CCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883439315 591667552 /nfs/dbraw/zinc/66/75/52/591667552.db2.gz OLQPHOZUBGPUAZ-QWRGUYRKSA-N 2 0 229.343 0.760 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000883440692 591668058 /nfs/dbraw/zinc/66/80/58/591668058.db2.gz WWXHDIWVTMBTJJ-CYDGBPFRSA-N 2 0 241.354 0.760 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000883440517 591668507 /nfs/dbraw/zinc/66/85/07/591668507.db2.gz SGEPEIRJUAQTTK-NNYUYHANSA-N 2 0 227.327 0.513 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](CF)C1 ZINC000883447533 591671316 /nfs/dbraw/zinc/67/13/16/591671316.db2.gz DZHBCSYFOHKUCR-NXEZZACHSA-N 2 0 204.289 0.248 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000883447055 591671575 /nfs/dbraw/zinc/67/15/75/591671575.db2.gz RNTZUQUGSMQYEO-WDEREUQCSA-N 2 0 218.316 0.638 20 0 BCADRP CN(CCOCC[NH3+])C1(C[NH3+])CCCCC1 ZINC000883454074 591673020 /nfs/dbraw/zinc/67/30/20/591673020.db2.gz OUIXPXPHTLPQHS-UHFFFAOYSA-N 2 0 229.368 0.555 20 0 BCADRP C([C@@H]1C[NH2+]CCO1)N1CC[NH2+]CCC12CCC2 ZINC000883460229 591673892 /nfs/dbraw/zinc/67/38/92/591673892.db2.gz SATGCAYIWZQUDK-LBPRGKRZSA-N 2 0 239.363 0.193 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000131957937 591679922 /nfs/dbraw/zinc/67/99/22/591679922.db2.gz LNHPVWLSHUPMGA-VIFPVBQESA-N 2 0 213.325 0.372 20 0 BCADRP CC[NH2+]CC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132889433 591746814 /nfs/dbraw/zinc/74/68/14/591746814.db2.gz ILURUOMDZPQLPV-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000884004951 591793024 /nfs/dbraw/zinc/79/30/24/591793024.db2.gz PQFLGRYAKVYUQP-ZJUUUORDSA-N 2 0 211.309 0.064 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884006287 591794357 /nfs/dbraw/zinc/79/43/57/591794357.db2.gz MIPGOHONMKDEBT-NWDGAFQWSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]CCNC(=O)[C@@H]([NH3+])Cc1cc2ccccc2o1 ZINC000884005655 591794396 /nfs/dbraw/zinc/79/43/96/591794396.db2.gz PHURZHZDWBFVOA-NSHDSACASA-N 2 0 247.298 0.378 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])C(C)C)C1 ZINC000884009530 591796235 /nfs/dbraw/zinc/79/62/35/591796235.db2.gz YSAYMDDEHYTFCP-MNOVXSKESA-N 2 0 241.379 0.816 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])C(C)C)C1 ZINC000884009531 591796524 /nfs/dbraw/zinc/79/65/24/591796524.db2.gz YSAYMDDEHYTFCP-QWRGUYRKSA-N 2 0 241.379 0.816 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000884009050 591796796 /nfs/dbraw/zinc/79/67/96/591796796.db2.gz KCDRWJHZAGTKLG-MNOVXSKESA-N 2 0 227.352 0.441 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000884011536 591797589 /nfs/dbraw/zinc/79/75/89/591797589.db2.gz HWJTYSFFLFPXGX-NSHDSACASA-N 2 0 239.363 0.429 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884011585 591797791 /nfs/dbraw/zinc/79/77/91/591797791.db2.gz JHVUGLNIGAIFOE-LLVKDONJSA-N 2 0 225.336 0.311 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884013733 591798472 /nfs/dbraw/zinc/79/84/72/591798472.db2.gz QVZSVFRNYUOALN-MVWJERBFSA-N 2 0 239.363 0.842 20 0 BCADRP COCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000884013709 591798517 /nfs/dbraw/zinc/79/85/17/591798517.db2.gz QLOJIPMBJPJZGK-DCAQKATOSA-N 2 0 243.351 0.079 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884018104 591800007 /nfs/dbraw/zinc/80/00/07/591800007.db2.gz NHFCKQFZJYFJMV-NXEZZACHSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884018106 591800380 /nfs/dbraw/zinc/80/03/80/591800380.db2.gz NHFCKQFZJYFJMV-VHSXEESVSA-N 2 0 225.336 0.052 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000884017864 591800411 /nfs/dbraw/zinc/80/04/11/591800411.db2.gz IABVDIUZRXBVON-QWRGUYRKSA-N 2 0 239.363 0.490 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000884021149 591802365 /nfs/dbraw/zinc/80/23/65/591802365.db2.gz SSTPAFVHBSOAMD-UWVGGRQHSA-N 2 0 225.336 0.039 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC[NH2+]C1CC1 ZINC000884024144 591804618 /nfs/dbraw/zinc/80/46/18/591804618.db2.gz IMBUORYDICUXIO-NSHDSACASA-N 2 0 241.379 0.864 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884024923 591806264 /nfs/dbraw/zinc/80/62/64/591806264.db2.gz HSLQCKLQYVGLGH-CABZTGNLSA-N 2 0 239.363 0.700 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC(C)C)[NH2+]C)C1 ZINC000884027754 591811149 /nfs/dbraw/zinc/81/11/49/591811149.db2.gz MAAGJNRJFKOENA-RYUDHWBXSA-N 2 0 241.379 0.688 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC2(C)C)C[C@H](C)[NH2+]1 ZINC000884030405 591813704 /nfs/dbraw/zinc/81/37/04/591813704.db2.gz NMLUSHLRLORGBS-OUAUKWLOSA-N 2 0 239.363 0.441 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884032657 591814029 /nfs/dbraw/zinc/81/40/29/591814029.db2.gz ZGIFFICWMGPMJO-RKDXNWHRSA-N 2 0 213.325 0.038 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000884031908 591814776 /nfs/dbraw/zinc/81/47/76/591814776.db2.gz CLLJMAWHVIKIQH-UWVGGRQHSA-N 2 0 215.341 0.426 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000884031147 591814890 /nfs/dbraw/zinc/81/48/90/591814890.db2.gz HXCJWJCHSWGGEX-MNOVXSKESA-N 2 0 227.352 0.441 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@@H]1C[NH2+]CC1(C)C)C1CC1 ZINC000884030974 591814908 /nfs/dbraw/zinc/81/49/08/591814908.db2.gz CGHQKTSWAKMNFI-GXFFZTMASA-N 2 0 239.363 0.476 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000884031848 591815026 /nfs/dbraw/zinc/81/50/26/591815026.db2.gz AYGWGRRATXCZRS-QWRGUYRKSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@H]([NH3+])CC1CC1)C1CC1 ZINC000884031460 591815176 /nfs/dbraw/zinc/81/51/76/591815176.db2.gz PRVZAWZIIPIMTM-ZYHUDNBSSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884033689 591816073 /nfs/dbraw/zinc/81/60/73/591816073.db2.gz REIJDBFSHBIJOP-WCQGTBRESA-N 2 0 239.363 0.700 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000884032929 591816739 /nfs/dbraw/zinc/81/67/39/591816739.db2.gz DUIRCZRHESWXAQ-UTUOFQBUSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884035044 591817315 /nfs/dbraw/zinc/81/73/15/591817315.db2.gz QVFOEGMUJJANLS-UWVGGRQHSA-N 2 0 227.352 0.332 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884035043 591817402 /nfs/dbraw/zinc/81/74/02/591817402.db2.gz QVFOEGMUJJANLS-NXEZZACHSA-N 2 0 227.352 0.332 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)CCC[NH3+] ZINC000884037159 591818369 /nfs/dbraw/zinc/81/83/69/591818369.db2.gz RAMOCBSYWWGHJW-SNVBAGLBSA-N 2 0 229.368 0.803 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884038817 591820858 /nfs/dbraw/zinc/82/08/58/591820858.db2.gz UHQIPXNZLBAIKA-MRVPVSSYSA-N 2 0 213.325 0.086 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884040294 591822041 /nfs/dbraw/zinc/82/20/41/591822041.db2.gz PPOYANUCKZDWAS-MNOVXSKESA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]([NH3+])CC1CC1 ZINC000884041514 591823939 /nfs/dbraw/zinc/82/39/39/591823939.db2.gz ADHRGRKXHUZBSI-VXGBXAGGSA-N 2 0 241.379 0.946 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884042511 591824964 /nfs/dbraw/zinc/82/49/64/591824964.db2.gz AZKWSEVROPQZBP-QWRGUYRKSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CC1CC1)C1CC1 ZINC000884196532 591872828 /nfs/dbraw/zinc/87/28/28/591872828.db2.gz UFLOSEOEGOAUMM-VXGBXAGGSA-N 2 0 239.363 0.570 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])CCOC ZINC000884207364 591873769 /nfs/dbraw/zinc/87/37/69/591873769.db2.gz UHBOJMKXXVACTM-NSHDSACASA-N 2 0 245.367 0.198 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC2(C)C)[C@@H](C)C[NH2+]1 ZINC000884245125 591882482 /nfs/dbraw/zinc/88/24/82/591882482.db2.gz QHVQAMNTYOVZEB-OUAUKWLOSA-N 2 0 239.363 0.441 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000884247438 591882918 /nfs/dbraw/zinc/88/29/18/591882918.db2.gz UWCMATTYMLKKBL-SECBINFHSA-N 2 0 225.336 0.230 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000884253578 591885079 /nfs/dbraw/zinc/88/50/79/591885079.db2.gz NWNIHVJAVXKCIF-LLVKDONJSA-N 2 0 237.347 0.268 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC1=CC[NH2+]CC1 ZINC000884253305 591885654 /nfs/dbraw/zinc/88/56/54/591885654.db2.gz GHTDYDZOFIANDK-LBPRGKRZSA-N 2 0 239.363 0.656 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000884267378 591888615 /nfs/dbraw/zinc/88/86/15/591888615.db2.gz DTLAVHMVPGJWJK-MXWKQRLJSA-N 2 0 225.336 0.500 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)CC[NH2+]1 ZINC000884272813 591889524 /nfs/dbraw/zinc/88/95/24/591889524.db2.gz DGRDFWXMNKOLQS-OUAUKWLOSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CC2CC2)CC[NH2+]1 ZINC000884274746 591889527 /nfs/dbraw/zinc/88/95/27/591889527.db2.gz UDVYMFMFYDOWGF-MIMYLULJSA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@H](C)[NH3+] ZINC000884274878 591890023 /nfs/dbraw/zinc/89/00/23/591890023.db2.gz WYGNWQGUJFYFPV-RKDXNWHRSA-N 2 0 215.341 0.459 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000884275765 591891243 /nfs/dbraw/zinc/89/12/43/591891243.db2.gz VFFRBUQYVFAJCS-PSASIEDQSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000884293481 591895833 /nfs/dbraw/zinc/89/58/33/591895833.db2.gz DHXQIHFVQGQLCC-TUAOUCFPSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884295338 591896008 /nfs/dbraw/zinc/89/60/08/591896008.db2.gz VHMPEEDTGISZLS-VHSXEESVSA-N 2 0 227.352 0.476 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000884296937 591896697 /nfs/dbraw/zinc/89/66/97/591896697.db2.gz HZESCVDWOGGRIY-SFYZADRCSA-N 2 0 249.305 0.331 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000884297874 591898073 /nfs/dbraw/zinc/89/80/73/591898073.db2.gz YSZRCQHKOLCHJE-GUBZILKMSA-N 2 0 215.341 0.472 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884338770 591905848 /nfs/dbraw/zinc/90/58/48/591905848.db2.gz RGXXSZLKJLMJDG-VHSXEESVSA-N 2 0 241.379 0.722 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@@H]([NH3+])CC1CC1)C1CCCC1 ZINC000884336889 591906011 /nfs/dbraw/zinc/90/60/11/591906011.db2.gz ZGXUDLVBTKDXLW-NWDGAFQWSA-N 2 0 239.363 0.748 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884347939 591908675 /nfs/dbraw/zinc/90/86/75/591908675.db2.gz KGYPPKOXSCMKPJ-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884347767 591908851 /nfs/dbraw/zinc/90/88/51/591908851.db2.gz FMEIZLWFRXJNRP-DTWKUNHWSA-N 2 0 227.352 0.746 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884346867 591909111 /nfs/dbraw/zinc/90/91/11/591909111.db2.gz CKZLVWUPPFCSMU-VIFPVBQESA-N 2 0 227.352 0.476 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000884348451 591909488 /nfs/dbraw/zinc/90/94/88/591909488.db2.gz ZNZUSCKVAQFCJE-IJLUTSLNSA-N 2 0 247.342 0.928 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000884348431 591909675 /nfs/dbraw/zinc/90/96/75/591909675.db2.gz YVNAEKPFAWXSRY-OPRDCNLKSA-N 2 0 225.336 0.371 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000884348099 591909703 /nfs/dbraw/zinc/90/97/03/591909703.db2.gz NZIBPZJCCCQLFK-AUTRQRHGSA-N 2 0 225.336 0.228 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884357772 591911046 /nfs/dbraw/zinc/91/10/46/591911046.db2.gz FCKCSHFOVVJQLH-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C)[NH+](C)C ZINC000884358117 591912542 /nfs/dbraw/zinc/91/25/42/591912542.db2.gz LKKVIHOECJZKDI-XHNCKOQMSA-N 2 0 213.325 0.179 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CCCC[NH3+] ZINC000884357718 591912588 /nfs/dbraw/zinc/91/25/88/591912588.db2.gz DFTHKCJKUKAVAI-RKDXNWHRSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884358136 591912607 /nfs/dbraw/zinc/91/26/07/591912607.db2.gz LOHMGMJMYFGAKA-AATLWQCWSA-N 2 0 225.336 0.226 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1c[nH+]ccc1N ZINC000884358027 591912641 /nfs/dbraw/zinc/91/26/41/591912641.db2.gz KMGNVFMJYVHVCP-ZJUUUORDSA-N 2 0 234.303 0.350 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884358920 591912822 /nfs/dbraw/zinc/91/28/22/591912822.db2.gz ZZPPIGKDWGARHC-IWSPIJDZSA-N 2 0 225.336 0.226 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000884361434 591914464 /nfs/dbraw/zinc/91/44/64/591914464.db2.gz SHKJQTKVSLFLNA-UTLUCORTSA-N 2 0 225.336 0.356 20 0 BCADRP CC1(C)[C@H](NC(=O)CC2(C[NH3+])CC2)C[C@@H]1[NH3+] ZINC000884361315 591914606 /nfs/dbraw/zinc/91/46/06/591914606.db2.gz QDYLQWIBHSMPKE-DTWKUNHWSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000884361558 591914910 /nfs/dbraw/zinc/91/49/10/591914910.db2.gz VAMREUZYMQIANA-VPOLOUISSA-N 2 0 239.363 0.617 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884360347 591915035 /nfs/dbraw/zinc/91/50/35/591915035.db2.gz YUPUPUWDNBKFSD-OPRDCNLKSA-N 2 0 227.352 0.617 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000884361963 591915424 /nfs/dbraw/zinc/91/54/24/591915424.db2.gz CGOZRIMXVPMEAI-LPEHRKFASA-N 2 0 239.363 0.617 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CCC1C[NH2+]C1 ZINC000884365150 591915781 /nfs/dbraw/zinc/91/57/81/591915781.db2.gz DYAJPDYYLGSTQP-UWVGGRQHSA-N 2 0 225.336 0.228 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000884361964 591916016 /nfs/dbraw/zinc/91/60/16/591916016.db2.gz CGOZRIMXVPMEAI-OPRDCNLKSA-N 2 0 239.363 0.617 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000884365713 591917046 /nfs/dbraw/zinc/91/70/46/591917046.db2.gz NIFCZJSBKIIXIG-DUYQIWHPSA-N 2 0 237.347 0.356 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000884365714 591917074 /nfs/dbraw/zinc/91/70/74/591917074.db2.gz NIFCZJSBKIIXIG-MGWGEXEUSA-N 2 0 237.347 0.356 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000884365793 591917401 /nfs/dbraw/zinc/91/74/01/591917401.db2.gz OSCBRAKVAMIYTP-NXEZZACHSA-N 2 0 239.363 0.570 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884365642 591917298 /nfs/dbraw/zinc/91/72/98/591917298.db2.gz MEZJHRBVXZBFPN-KYXWUPHJSA-N 2 0 239.363 0.602 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000884365934 591917504 /nfs/dbraw/zinc/91/75/04/591917504.db2.gz QURNHNSSZJKPLG-AUTRQRHGSA-N 2 0 225.336 0.371 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000884365715 591917580 /nfs/dbraw/zinc/91/75/80/591917580.db2.gz NIFCZJSBKIIXIG-VQAIZDJRSA-N 2 0 237.347 0.356 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884371982 591918637 /nfs/dbraw/zinc/91/86/37/591918637.db2.gz CWCHLJOKEZHYHM-GUBZILKMSA-N 2 0 227.352 0.474 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)[C@H]([NH3+])CC2CC2)cc1 ZINC000884375655 591919558 /nfs/dbraw/zinc/91/95/58/591919558.db2.gz HNOMODOUZZCQAV-CYBMUJFWSA-N 2 0 247.342 0.889 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884390296 591922944 /nfs/dbraw/zinc/92/29/44/591922944.db2.gz SGSXBCOCFNEAKN-VWYCJHECSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000884390348 591923549 /nfs/dbraw/zinc/92/35/49/591923549.db2.gz UKLXDVDGPMUKFE-TUAOUCFPSA-N 2 0 241.379 0.959 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000884407787 591927180 /nfs/dbraw/zinc/92/71/80/591927180.db2.gz NKNHHWNBHOJEPO-RUETXSTFSA-N 2 0 237.347 0.182 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000884419254 591928678 /nfs/dbraw/zinc/92/86/78/591928678.db2.gz LQNGWPYUWPKCOR-OPRDCNLKSA-N 2 0 229.299 0.012 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000884418760 591928959 /nfs/dbraw/zinc/92/89/59/591928959.db2.gz VBFNQIOPNYDYEI-OPRDCNLKSA-N 2 0 243.326 0.130 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884420635 591929562 /nfs/dbraw/zinc/92/95/62/591929562.db2.gz ZAJKUHFYQPNZRB-VHSXEESVSA-N 2 0 229.368 0.720 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884430536 591931581 /nfs/dbraw/zinc/93/15/81/591931581.db2.gz SRJJBBZUIGSKNF-NWDGAFQWSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884430538 591932126 /nfs/dbraw/zinc/93/21/26/591932126.db2.gz SRJJBBZUIGSKNF-VXGBXAGGSA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000884431363 591932430 /nfs/dbraw/zinc/93/24/30/591932430.db2.gz RUDZJHCHNIAUJL-QWRGUYRKSA-N 2 0 237.347 0.515 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000884431361 591932741 /nfs/dbraw/zinc/93/27/41/591932741.db2.gz RUDZJHCHNIAUJL-GHMZBOCLSA-N 2 0 237.347 0.515 20 0 BCADRP CC[C@@]1(C(=O)NC[C@@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000215297045 591938039 /nfs/dbraw/zinc/93/80/39/591938039.db2.gz MWEUWSNVIVAGAM-PWSUYJOCSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H](NC(=O)[C@@H]([NH3+])CC1CC1)C1CC[NH2+]CC1 ZINC000884471801 591944809 /nfs/dbraw/zinc/94/48/09/591944809.db2.gz GQAQZRAUJFYXHT-SKDRFNHKSA-N 2 0 239.363 0.618 20 0 BCADRP Cc1[nH+]ccc(NCC[N@H+](C)CCO)c1Cl ZINC000884825174 592023396 /nfs/dbraw/zinc/02/33/96/592023396.db2.gz JJCMNNMDJANBGO-UHFFFAOYSA-N 2 0 243.738 0.801 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000137385350 592176221 /nfs/dbraw/zinc/17/62/21/592176221.db2.gz QLSRZWBUZIGDPX-GFCCVEGCSA-N 2 0 241.379 0.914 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886828197 592350552 /nfs/dbraw/zinc/35/05/52/592350552.db2.gz ZABDFWCUDOHTHV-YNEHKIRRSA-N 2 0 224.348 0.954 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@H]1C[C@@]12CCOC2 ZINC000886841645 592362012 /nfs/dbraw/zinc/36/20/12/592362012.db2.gz RINCTWYZKIOFHE-VXGBXAGGSA-N 2 0 228.336 0.320 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220875718 592364620 /nfs/dbraw/zinc/36/46/20/592364620.db2.gz IUXYTMNLPSZOGO-GRYCIOLGSA-N 2 0 239.363 0.666 20 0 BCADRP CCN(CC1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000886850733 592367381 /nfs/dbraw/zinc/36/73/81/592367381.db2.gz QLUDCNCTGSVXSO-LBPRGKRZSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886857940 592370162 /nfs/dbraw/zinc/37/01/62/592370162.db2.gz GLKDOPZHSGGVKC-OUAUKWLOSA-N 2 0 230.377 0.252 20 0 BCADRP C([C@H]1CNCCO1)[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886859957 592372724 /nfs/dbraw/zinc/37/27/24/592372724.db2.gz LURNNICIPLGZPZ-XQQFMLRXSA-N 2 0 240.347 0.476 20 0 BCADRP C([C@@H]1CNCCO1)[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886859954 592372743 /nfs/dbraw/zinc/37/27/43/592372743.db2.gz LURNNICIPLGZPZ-AGIUHOORSA-N 2 0 240.347 0.476 20 0 BCADRP [NH3+]CCC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886871938 592377591 /nfs/dbraw/zinc/37/75/91/592377591.db2.gz FUNUOXHWLKJRMH-GFCCVEGCSA-N 3 0 211.353 0.801 20 0 BCADRP CCC[N@H+](CC)CCNC(=[NH2+])NC1CC1 ZINC000222238900 592472395 /nfs/dbraw/zinc/47/23/95/592472395.db2.gz BVNZEGQNRIKUHO-UHFFFAOYSA-N 2 0 212.341 0.995 20 0 BCADRP C[C@@H](CNC(=[NH2+])NCC(F)F)[N@H+](C)C1CC1 ZINC000887352502 592486458 /nfs/dbraw/zinc/48/64/58/592486458.db2.gz CDOOFLOXTLKNGE-ZETCQYMHSA-N 2 0 234.294 0.848 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NCC(F)F)C1 ZINC000887354208 592487296 /nfs/dbraw/zinc/48/72/96/592487296.db2.gz UHERWONSQYXOSS-MRVPVSSYSA-N 2 0 234.294 0.707 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=[NH2+])NCC2CC2)C1 ZINC000887354303 592487345 /nfs/dbraw/zinc/48/73/45/592487345.db2.gz YNIXAYIJMUMQLV-JTQLQIEISA-N 2 0 224.352 0.852 20 0 BCADRP Cn1cnc(CCC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000925702370 634378479 /nfs/dbraw/zinc/37/84/79/634378479.db2.gz BWGCDQJQPVYGPC-QWRGUYRKSA-N 2 0 249.362 0.607 20 0 BCADRP C[C@H]1NCCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000925703039 634379622 /nfs/dbraw/zinc/37/96/22/634379622.db2.gz SDHNZVGUKXKRAB-GHMZBOCLSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NCCC[NH2+]C1CC1 ZINC000925705458 634385840 /nfs/dbraw/zinc/38/58/40/634385840.db2.gz JDBRMUUDJBKZQN-CMPLNLGQSA-N 2 0 211.353 0.859 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925705139 634386017 /nfs/dbraw/zinc/38/60/17/634386017.db2.gz HXYQTJKSBFDRNE-RHYQMDGZSA-N 3 0 223.364 0.973 20 0 BCADRP C[C@@H]1NCCC[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000925705901 634389080 /nfs/dbraw/zinc/38/90/80/634389080.db2.gz IYOVYNWXPFQPBN-SDDRHHMPSA-N 2 0 223.364 0.859 20 0 BCADRP [NH3+][C@@H]1C[C@H](NC[C@@H]2C[NH2+]CCCO2)C12CCC2 ZINC000925709634 634402674 /nfs/dbraw/zinc/40/26/74/634402674.db2.gz ORHJUXFBXCHMFQ-TUAOUCFPSA-N 2 0 239.363 0.224 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C12CCC2 ZINC000925709730 634408082 /nfs/dbraw/zinc/40/80/82/634408082.db2.gz QCZXZNQTYCGKIS-UTUOFQBUSA-N 3 0 235.375 0.988 20 0 BCADRP CC[C@@H](O)C[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925711670 634412526 /nfs/dbraw/zinc/41/25/26/634412526.db2.gz UYHIOPNRVRIYSJ-YBXAARCKSA-N 2 0 228.336 0.099 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1N[C@H]1CC12CC[NH2+]CC2 ZINC000925712443 634414226 /nfs/dbraw/zinc/41/42/26/634414226.db2.gz UWXSDFYYKBRDNS-MNOVXSKESA-N 2 0 223.364 0.859 20 0 BCADRP CC1(C)C[C@@H]([NH2+][C@H]2CCNC2=O)C[C@@H]([NH3+])C1 ZINC000925714751 634432137 /nfs/dbraw/zinc/43/21/37/634432137.db2.gz WBMZQJBCIQILKP-UTLUCORTSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]1CC[C@@H](N[C@H]2CC[NH2+]C2(C)C)C[NH2+]1 ZINC000925716341 634445883 /nfs/dbraw/zinc/44/58/83/634445883.db2.gz DDHSDGBJWFWODM-MXWKQRLJSA-N 2 0 211.353 0.857 20 0 BCADRP C[C@]1(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC[NH2+]C1 ZINC000335511045 634474738 /nfs/dbraw/zinc/47/47/38/634474738.db2.gz CEUQXIBKSUQPGM-QWHCGFSZSA-N 2 0 237.347 0.341 20 0 BCADRP [NH3+]CC1(CC(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000335517094 634481693 /nfs/dbraw/zinc/48/16/93/634481693.db2.gz WXUFBNADCVFWMC-ZDUSSCGKSA-N 2 0 237.347 0.470 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257740637 634487841 /nfs/dbraw/zinc/48/78/41/634487841.db2.gz YUWMSCPESTURFD-STQMWFEESA-N 2 0 223.364 0.671 20 0 BCADRP O=C([C@H]1CCCC[NH2+]1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335622274 634498751 /nfs/dbraw/zinc/49/87/51/634498751.db2.gz BSSFQTDFBAUICH-DGCLKSJQSA-N 2 0 237.347 0.483 20 0 BCADRP C[C@H]1C(=O)NCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000257794755 634500088 /nfs/dbraw/zinc/50/00/88/634500088.db2.gz RZUGAEHVYSOUQJ-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335639268 634505145 /nfs/dbraw/zinc/50/51/45/634505145.db2.gz NJXKDIAESNEWJK-ZYHUDNBSSA-N 2 0 225.336 0.324 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335637609 634503854 /nfs/dbraw/zinc/50/38/54/634503854.db2.gz FSPBPZPVXFIPCP-WCQYABFASA-N 2 0 237.347 0.483 20 0 BCADRP CC(C)([NH3+])C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335642618 634505228 /nfs/dbraw/zinc/50/52/28/634505228.db2.gz ZCSGNTKKBYUFRN-LLVKDONJSA-N 2 0 211.309 0.078 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925726709 634522829 /nfs/dbraw/zinc/52/28/29/634522829.db2.gz KCXLXWKAKQRDRB-UJPLBGJFSA-N 3 0 221.348 0.310 20 0 BCADRP [NH3+]C1CC(C[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925729419 634539450 /nfs/dbraw/zinc/53/94/50/634539450.db2.gz JLFURXDROLOGPZ-MCIGGMRASA-N 3 0 223.364 0.988 20 0 BCADRP C[NH2+]CCc1nc(CC2CC[NH2+]CC2)no1 ZINC000258063599 634557713 /nfs/dbraw/zinc/55/77/13/634557713.db2.gz PWRMWFVJYCHIBV-UHFFFAOYSA-N 2 0 224.308 0.374 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000125573289 634564462 /nfs/dbraw/zinc/56/44/62/634564462.db2.gz VLUJXRLSLOJNRN-GFCCVEGCSA-N 2 0 239.363 0.670 20 0 BCADRP C[C@H](C[C@H]1COCCN1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925786002 635301573 /nfs/dbraw/zinc/30/15/73/635301573.db2.gz MWINXCOFMZOOAK-NDBYEHHHSA-N 2 0 241.379 0.199 20 0 BCADRP C[C@H](CCCCO)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810632 635365005 /nfs/dbraw/zinc/36/50/05/635365005.db2.gz FELNXQHPCPMCAK-GFCCVEGCSA-N 2 0 243.395 0.550 20 0 BCADRP CCO[C@H](CN[C@H]1CCC[NH2+][C@@H]1C)C[NH+](C)C ZINC000925837303 635494840 /nfs/dbraw/zinc/49/48/40/635494840.db2.gz PCSBXTJSMDFGCV-UPJWGTAASA-N 2 0 243.395 0.683 20 0 BCADRP C[C@H]([NH2+]CC[C@H]1CNC(=O)C1)[C@@H]1CCC[NH2+]1 ZINC000925840334 635503873 /nfs/dbraw/zinc/50/38/73/635503873.db2.gz VDXZKOASDBRJKD-AXFHLTTASA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)[C@@H]1CCC[NH2+]1 ZINC000925840339 635504196 /nfs/dbraw/zinc/50/41/96/635504196.db2.gz VDXZKOASDBRJKD-MXWKQRLJSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000925840772 635505057 /nfs/dbraw/zinc/50/50/57/635505057.db2.gz WWTSYYAZTHOBMA-SRVKXCTJSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841965 635505891 /nfs/dbraw/zinc/50/58/91/635505891.db2.gz VDRRLWGSIDLMJK-FDYHWXHSSA-N 2 0 223.364 0.988 20 0 BCADRP CN(C[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000234303259 635551439 /nfs/dbraw/zinc/55/14/39/635551439.db2.gz VLQMYTAMUGUPPC-WCQYABFASA-N 2 0 223.364 0.907 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CCO[C@@H]1CCOC1 ZINC000925874043 635593043 /nfs/dbraw/zinc/59/30/43/635593043.db2.gz GVPVKUVFXINYNA-VXGBXAGGSA-N 2 0 246.351 0.135 20 0 BCADRP CC(C)(C)NC(=[NH2+])NCC[NH+]1CCCC1 ZINC000054133734 635611193 /nfs/dbraw/zinc/61/11/93/635611193.db2.gz GOYMANLOWDKROP-UHFFFAOYSA-N 2 0 212.341 0.995 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000237279941 635612769 /nfs/dbraw/zinc/61/27/69/635612769.db2.gz OKWAPPYBCAQMSV-WHXUTIOJSA-N 2 0 227.352 0.570 20 0 BCADRP Cn1nccc1[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000925888920 635615310 /nfs/dbraw/zinc/61/53/10/635615310.db2.gz HCHGEHSXYVAZRL-JFGNBEQYSA-N 2 0 238.335 0.313 20 0 BCADRP Cn1nccc1CC[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000926174504 631376633 /nfs/dbraw/zinc/37/66/33/631376633.db2.gz SCNNDYUDWUMEPM-ONXXMXGDSA-N 2 0 248.374 0.892 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891962952 631642086 /nfs/dbraw/zinc/64/20/86/631642086.db2.gz UUOKBEJTZGCYTD-PWSUYJOCSA-N 2 0 240.351 0.180 20 0 BCADRP CC(C)(C[NH3+])NC(=O)CCCCC[NH3+] ZINC000308823642 631676268 /nfs/dbraw/zinc/67/62/68/631676268.db2.gz HFGIFBJHXKAMKS-UHFFFAOYSA-N 2 0 201.314 0.359 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000892089155 631725838 /nfs/dbraw/zinc/72/58/38/631725838.db2.gz PHRWFOHPVHVYPY-ZNSHCXBVSA-N 2 0 240.351 0.387 20 0 BCADRP Cl/C=C/C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000308970704 631774062 /nfs/dbraw/zinc/77/40/62/631774062.db2.gz PEMGGVPPVYQXMI-JHSHHRBUSA-N 2 0 229.755 0.718 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCC(C)(C)[NH3+] ZINC000892198889 631778552 /nfs/dbraw/zinc/77/85/52/631778552.db2.gz QJUJXEMVJICEMX-DTWKUNHWSA-N 2 0 230.356 0.539 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCC(C)(C)[NH3+] ZINC000892198890 631778659 /nfs/dbraw/zinc/77/86/59/631778659.db2.gz QJUJXEMVJICEMX-IUCAKERBSA-N 2 0 230.356 0.539 20 0 BCADRP CCNC(=O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000044518379 631815864 /nfs/dbraw/zinc/81/58/64/631815864.db2.gz YWJUSRKIPRACSC-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000308825621 631869814 /nfs/dbraw/zinc/86/98/14/631869814.db2.gz KSDXVATVAHGUON-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+]CCCCCC(=O)NC1CCC([NH3+])CC1 ZINC000051694807 631869823 /nfs/dbraw/zinc/86/98/23/631869823.db2.gz YIABOSRKYLNIOT-UHFFFAOYSA-N 2 0 227.352 0.892 20 0 BCADRP CNC(=[NH2+])NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000052020221 632043197 /nfs/dbraw/zinc/04/31/97/632043197.db2.gz MZCFLJYOAPAUGM-LLVKDONJSA-N 2 0 241.383 0.002 20 0 BCADRP CCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000052042165 632053141 /nfs/dbraw/zinc/05/31/41/632053141.db2.gz SDRMZOVAGKFVKC-JTQLQIEISA-N 2 0 224.352 0.995 20 0 BCADRP CC(C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000052042168 632053326 /nfs/dbraw/zinc/05/33/26/632053326.db2.gz VLHGMHGZHBGQDK-JTQLQIEISA-N 2 0 224.352 0.993 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000161550813 632078526 /nfs/dbraw/zinc/07/85/26/632078526.db2.gz VIHHOLXCKVUANU-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001022978207 632093697 /nfs/dbraw/zinc/09/36/97/632093697.db2.gz UMTLPRSLTKAFJW-AOOOYVTPSA-N 2 0 236.319 0.219 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)[NH+](C)C ZINC000235153265 632104377 /nfs/dbraw/zinc/10/43/77/632104377.db2.gz CFFVLZYKCLFECC-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000841851781 635797718 /nfs/dbraw/zinc/79/77/18/635797718.db2.gz XGGRQWZZNZBGKG-GARJFASQSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H](C[NH2+][C@H]1COC[C@H]1C)N1CC[NH+](C)CC1 ZINC000924965927 635813662 /nfs/dbraw/zinc/81/36/62/635813662.db2.gz QJJVZSNDJNONGH-AGIUHOORSA-N 2 0 241.379 0.247 20 0 BCADRP CC(C)S(=O)(=O)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000309500241 632416866 /nfs/dbraw/zinc/41/68/66/632416866.db2.gz ZYRKBONZFHYFKH-MNOVXSKESA-N 2 0 248.392 0.669 20 0 BCADRP CC(=O)N[C@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000309482881 632418157 /nfs/dbraw/zinc/41/81/57/632418157.db2.gz XAVDCGNRPGQMSB-LBPRGKRZSA-N 2 0 227.352 0.716 20 0 BCADRP CN(C(=O)CCCCCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000179049211 632501069 /nfs/dbraw/zinc/50/10/69/632501069.db2.gz IMKDROLGGWBTJP-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP CC(C)[N@H+](CCCCCC[NH3+])CC(N)=O ZINC000308938693 632540561 /nfs/dbraw/zinc/54/05/61/632540561.db2.gz UFSJHYAJOPRGBI-UHFFFAOYSA-N 2 0 215.341 0.701 20 0 BCADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000252848288 632563035 /nfs/dbraw/zinc/56/30/35/632563035.db2.gz GLJOZNYXFRAZIE-YFKTTZPYSA-N 2 0 237.347 0.276 20 0 BCADRP OCC1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCC1 ZINC000053069405 632564089 /nfs/dbraw/zinc/56/40/89/632564089.db2.gz PRDJBPBPOPGPRV-GFCCVEGCSA-N 2 0 242.363 0.338 20 0 BCADRP OCC1([NH2+]C[C@H](O)C[NH+]2CCCC2)CCCC1 ZINC000053069404 632565479 /nfs/dbraw/zinc/56/54/79/632565479.db2.gz PRDJBPBPOPGPRV-LBPRGKRZSA-N 2 0 242.363 0.338 20 0 BCADRP CC[N@H+](CCCO)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309114715 632642271 /nfs/dbraw/zinc/64/22/71/632642271.db2.gz KYXBRJZHHUQDEN-MNOVXSKESA-N 2 0 200.326 0.818 20 0 BCADRP C[N@H+](C[C@H](O)C[NH3+])C[C@@H](O)CC1CCCC1 ZINC000309736464 632662975 /nfs/dbraw/zinc/66/29/75/632662975.db2.gz GPWPGOGILGOUQK-NWDGAFQWSA-N 2 0 230.352 0.179 20 0 BCADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CC[C@H]1[NH3+] ZINC000310319833 632719211 /nfs/dbraw/zinc/71/92/11/632719211.db2.gz YIHLLHNRSCLQBH-FRRDWIJNSA-N 2 0 241.379 0.112 20 0 BCADRP CN(C[C@@H](O)C[NH+]1CCCC1)[C@@H](C[NH3+])C1CC1 ZINC000310321094 632724841 /nfs/dbraw/zinc/72/48/41/632724841.db2.gz YRXRWRSRAMMBMN-OLZOCXBDSA-N 2 0 241.379 0.112 20 0 BCADRP C[C@@]1(C[NH3+])CC[N@H+](CCn2cccn2)C1 ZINC000235438883 632735273 /nfs/dbraw/zinc/73/52/73/632735273.db2.gz FGJYSSCGJPKVRN-NSHDSACASA-N 2 0 208.309 0.554 20 0 BCADRP CNC(=O)[C@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000310451080 632742130 /nfs/dbraw/zinc/74/21/30/632742130.db2.gz VRBYWMLYWYXKDH-LBPRGKRZSA-N 2 0 241.379 0.964 20 0 BCADRP [NH3+]C[C@H]1CC[N@H+](CCOCC(F)F)C1 ZINC000236185480 632761804 /nfs/dbraw/zinc/76/18/04/632761804.db2.gz YMBVEEOZUCWNMY-MRVPVSSYSA-N 2 0 208.252 0.549 20 0 BCADRP CC(C)NC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 ZINC000052043909 632782388 /nfs/dbraw/zinc/78/23/88/632782388.db2.gz QPPAVYGFQQICCC-JTQLQIEISA-N 2 0 212.341 0.851 20 0 BCADRP CCNC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000052040965 632781218 /nfs/dbraw/zinc/78/12/18/632781218.db2.gz ZFQCGNYAJIOHGG-UHFFFAOYSA-N 2 0 200.330 0.708 20 0 BCADRP CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000983323728 635824959 /nfs/dbraw/zinc/82/49/59/635824959.db2.gz XDVQBQZXKSODKB-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP CNC(NC[C@@H](CC(C)C)[NH+](C)C)=[NH+]C ZINC000066245064 632859915 /nfs/dbraw/zinc/85/99/15/632859915.db2.gz QKOBAYPYAAIPRZ-SNVBAGLBSA-N 2 0 214.357 0.758 20 0 BCADRP CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000983323730 635825863 /nfs/dbraw/zinc/82/58/63/635825863.db2.gz XDVQBQZXKSODKB-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP CNC(NC[C@@H](C(C)C)[NH+]1CCCC1)=[NH+]C ZINC000066245136 632860266 /nfs/dbraw/zinc/86/02/66/632860266.db2.gz XRKSXWYSJPKFBG-NSHDSACASA-N 2 0 226.368 0.902 20 0 BCADRP CC[C@H](CNC(NC)=[NH+]C)[NH+]1CCCC1 ZINC000066245299 632860731 /nfs/dbraw/zinc/86/07/31/632860731.db2.gz YDBBPUHLERJEBO-SNVBAGLBSA-N 2 0 212.341 0.656 20 0 BCADRP CC1(NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC000892549231 632957705 /nfs/dbraw/zinc/95/77/05/632957705.db2.gz QHBRMUUAXHBSNY-AOOOYVTPSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C)C1CCC([NH3+])CC1 ZINC000309405679 633019402 /nfs/dbraw/zinc/01/94/02/633019402.db2.gz HXZPKCRRFSAROQ-IDKOKCKLSA-N 2 0 213.325 0.452 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000309405685 633020733 /nfs/dbraw/zinc/02/07/33/633020733.db2.gz HXZYSBODBLVJFQ-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP CCn1cc(C[NH2+][C@H]2CCc3nc[nH]c3C2)nn1 ZINC000894546115 635907086 /nfs/dbraw/zinc/90/70/86/635907086.db2.gz BCDVKZQALTZGGZ-VIFPVBQESA-N 2 0 246.318 0.668 20 0 BCADRP CCn1cc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)nn1 ZINC000894546114 635908350 /nfs/dbraw/zinc/90/83/50/635908350.db2.gz BCDVKZQALTZGGZ-SECBINFHSA-N 2 0 246.318 0.668 20 0 BCADRP CC(C)NC(=O)C[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309445448 633079908 /nfs/dbraw/zinc/07/99/08/633079908.db2.gz OYTFPJSODMMYKW-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@]1(CN2CC[NH+](C3CC3)CC2)CC[NH2+]C1 ZINC000062911724 633137877 /nfs/dbraw/zinc/13/78/77/633137877.db2.gz XCDHVEXMNARDIA-CYBMUJFWSA-N 2 0 223.364 0.766 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](C)C[NH3+])C1 ZINC000062967645 633162085 /nfs/dbraw/zinc/16/20/85/633162085.db2.gz XGEUGHHDZRMPMM-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000928431436 635916954 /nfs/dbraw/zinc/91/69/54/635916954.db2.gz NMDAGWNYOKTJLR-KKOKHZNYSA-N 2 0 239.363 0.535 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccoc2)CC1 ZINC000309573744 633201630 /nfs/dbraw/zinc/20/16/30/633201630.db2.gz OHXNCWBGJOMFSD-UHFFFAOYSA-N 2 0 224.304 0.826 20 0 BCADRP CC[NH+]1CCC(CNC2=[NH+]CCN2C)CC1 ZINC000304499002 635943876 /nfs/dbraw/zinc/94/38/76/635943876.db2.gz DRMKZIRQCNJOGF-UHFFFAOYSA-N 2 0 224.352 0.609 20 0 BCADRP C[C@H]1[C@@H](NC(=O)[C@@H]2CCCCN2C)CC[N@@H+]1C ZINC000928444405 635950040 /nfs/dbraw/zinc/95/00/40/635950040.db2.gz ZAPKEAVCHOJOAS-SRVKXCTJSA-N 2 0 239.363 0.680 20 0 BCADRP C[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000928554582 636091227 /nfs/dbraw/zinc/09/12/27/636091227.db2.gz QSCXPRBHUNHFNH-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP CO[C@H](C[NH2+]CC[C@H](C)[NH+](C)C)[C@@H]1CCOC1 ZINC000895291282 636131443 /nfs/dbraw/zinc/13/14/43/636131443.db2.gz AZIJNHLHHDRBFN-YNEHKIRRSA-N 2 0 244.379 0.968 20 0 BCADRP CC(C)[C@](C)(O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328444206 633766554 /nfs/dbraw/zinc/76/65/54/633766554.db2.gz NOYKKWULSFJNMN-XADZXUCXSA-N 2 0 238.375 0.979 20 0 BCADRP C[C@H](CCO)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328443339 633767283 /nfs/dbraw/zinc/76/72/83/633767283.db2.gz NDQWQKKUKCCYMR-KQAFNVIJSA-N 2 0 224.348 0.591 20 0 BCADRP OCCC1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000328500334 633774495 /nfs/dbraw/zinc/77/44/95/633774495.db2.gz TXUKFFDGHBEJAX-NWBUJAPZSA-N 2 0 236.359 0.735 20 0 BCADRP CC[C@H](CCO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328561546 633776186 /nfs/dbraw/zinc/77/61/86/633776186.db2.gz GRPWOVVZOJPBMC-ASHHDVGLSA-N 2 0 224.348 0.733 20 0 BCADRP COCC[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328560814 633777023 /nfs/dbraw/zinc/77/70/23/633777023.db2.gz FYKYHTFLUNIHEG-MCDVFOBDSA-N 2 0 224.348 0.997 20 0 BCADRP COCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328569565 633778320 /nfs/dbraw/zinc/77/83/20/633778320.db2.gz QORCIXMSQBLQJN-RNWYCLNJSA-N 2 0 210.321 0.609 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328570403 633778627 /nfs/dbraw/zinc/77/86/27/633778627.db2.gz ROQLVSUIIVTNCU-GMDXDWKASA-N 2 0 235.375 0.667 20 0 BCADRP COCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925505623 633837060 /nfs/dbraw/zinc/83/70/60/633837060.db2.gz VLUHZOVEJFDQOM-VWYCJHECSA-N 2 0 212.337 0.999 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925508355 633842839 /nfs/dbraw/zinc/84/28/39/633842839.db2.gz FVFNOLUCFZUQFM-RYUDHWBXSA-N 2 0 227.352 0.049 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925508356 633842987 /nfs/dbraw/zinc/84/29/87/633842987.db2.gz FVFNOLUCFZUQFM-VXGBXAGGSA-N 2 0 227.352 0.049 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NCC[NH+]1CCCC1 ZINC000925509849 633848986 /nfs/dbraw/zinc/84/89/86/633848986.db2.gz RGFIMFQQVBZYBH-LLVKDONJSA-N 2 0 211.353 0.812 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)C3CC3)C[C@@H]2C1 ZINC000309269396 633878228 /nfs/dbraw/zinc/87/82/28/633878228.db2.gz CVDJWXFQNRWWJB-AGIUHOORSA-N 2 0 224.348 0.641 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000309316681 633893921 /nfs/dbraw/zinc/89/39/21/633893921.db2.gz YWTQWQHGPPXNGH-IJLUTSLNSA-N 2 0 228.336 0.068 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC000925552702 634006058 /nfs/dbraw/zinc/00/60/58/634006058.db2.gz LXOZQTJGWQORFX-VXGBXAGGSA-N 2 0 242.363 0.912 20 0 BCADRP CC[NH2+]CC(=O)Nc1cccc(C[NH3+])c1 ZINC000309801853 634012317 /nfs/dbraw/zinc/01/23/17/634012317.db2.gz RIDUWFFCWNWQCQ-UHFFFAOYSA-N 2 0 207.277 0.693 20 0 BCADRP C[N@@H+]1CCCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000309982546 634026794 /nfs/dbraw/zinc/02/67/94/634026794.db2.gz FIKDTNMRLJLPCI-CYBMUJFWSA-N 2 0 241.379 0.081 20 0 BCADRP C(C1CC1)[N@@H+]1CC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925557677 634032429 /nfs/dbraw/zinc/03/24/29/634032429.db2.gz PXVRLAMLUDVDEG-CHWSQXEVSA-N 2 0 239.363 0.049 20 0 BCADRP CC[N@H+](CCN[C@H]1C[NH2+]CCOC1)C1CC1 ZINC000925559990 634038614 /nfs/dbraw/zinc/03/86/14/634038614.db2.gz VTGTUCXCPNBOLL-NSHDSACASA-N 2 0 227.352 0.049 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000162442103 634154301 /nfs/dbraw/zinc/15/43/01/634154301.db2.gz GWVMFFFHQUNLRB-YWVKMMECSA-N 2 0 229.299 0.074 20 0 BCADRP C[NH+](C)CCOCCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925650573 634206842 /nfs/dbraw/zinc/20/68/42/634206842.db2.gz WFWLWGZMFQZAFT-GFCCVEGCSA-N 2 0 241.379 0.439 20 0 BCADRP O=C1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CN1 ZINC000925684468 634292680 /nfs/dbraw/zinc/29/26/80/634292680.db2.gz BIMRMXAFMHNRNW-WDEREUQCSA-N 2 0 237.347 0.387 20 0 BCADRP C1[NH2+][C@@H]2[C@H](N[C@@H]3CCC[NH2+]C3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000925688790 634306568 /nfs/dbraw/zinc/30/65/68/634306568.db2.gz FQGSPPAARJIYNN-NURVWSNCSA-N 2 0 221.348 0.324 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC[NH2+]CC1 ZINC000925688776 634306820 /nfs/dbraw/zinc/30/68/20/634306820.db2.gz FMBDDNDGAHWDRU-UYVFGJEYSA-N 3 0 223.364 0.844 20 0 BCADRP CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001026734587 634312837 /nfs/dbraw/zinc/31/28/37/634312837.db2.gz PYHLVKBDACWBHE-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]([NH3+])CCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925690921 634313608 /nfs/dbraw/zinc/31/36/08/634313608.db2.gz IDXKSNWKFCAKEH-KUYXLPFXSA-N 2 0 209.337 0.310 20 0 BCADRP C[C@H]([NH3+])CCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925690925 634314129 /nfs/dbraw/zinc/31/41/29/634314129.db2.gz IDXKSNWKFCAKEH-NEJQNHLGSA-N 2 0 209.337 0.310 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)C(N)=O ZINC000925690613 634314826 /nfs/dbraw/zinc/31/48/26/634314826.db2.gz KQHDNDGXDPSNDS-ZACCUICWSA-N 2 0 239.363 0.428 20 0 BCADRP CC[NH2+]CCCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925691162 634316097 /nfs/dbraw/zinc/31/60/97/634316097.db2.gz LYYOCFNUQQXDCQ-OBPIAQAESA-N 2 0 223.364 0.572 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCC1(CO)CC1 ZINC000925691514 634317331 /nfs/dbraw/zinc/31/73/31/634317331.db2.gz NLOHUFPCMMJLSU-SNVBAGLBSA-N 2 0 212.337 0.879 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cnccn1 ZINC000925692095 634322177 /nfs/dbraw/zinc/32/21/77/634322177.db2.gz POONILSZEZMFDN-ONXXMXGDSA-N 2 0 246.358 0.949 20 0 BCADRP CC(C)[C@H]([NH3+])CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925693601 634328888 /nfs/dbraw/zinc/32/88/88/634328888.db2.gz PUFMXTJVEUTNLR-GHMZBOCLSA-N 2 0 211.353 0.844 20 0 BCADRP [NH3+][C@H]1C[C@@H](NCC[NH2+]C2CC2)C12CCC2 ZINC000925694275 634334001 /nfs/dbraw/zinc/33/40/01/634334001.db2.gz RPOLBBRGGCDYAF-WDEREUQCSA-N 2 0 209.337 0.598 20 0 BCADRP [NH3+][C@H](CN[C@H]1C[NH2+]CCOC1)c1ccccc1 ZINC000925694791 634340101 /nfs/dbraw/zinc/34/01/01/634340101.db2.gz TVOOLAZWZYEFLQ-QWHCGFSZSA-N 2 0 235.331 0.264 20 0 BCADRP C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@H]1CCCC[NH2+]1 ZINC000925695197 634340179 /nfs/dbraw/zinc/34/01/79/634340179.db2.gz UGQHABFQIYKKHY-VPCRRHSYSA-N 2 0 235.375 0.715 20 0 BCADRP [NH3+]C[C@H](N[C@@H]1C[NH2+]CCOC1)C1CCCCC1 ZINC000925696183 634353431 /nfs/dbraw/zinc/35/34/31/634353431.db2.gz YAVMAXJPSJCGJE-OLZOCXBDSA-N 2 0 241.379 0.472 20 0 BCADRP CCO[C@@H]1COC[C@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925695506 634353465 /nfs/dbraw/zinc/35/34/65/634353465.db2.gz XIAIHCIYUQBYME-WYUUTHIRSA-N 2 0 240.347 0.650 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2=CC[NH2+]CC2)C12CCC2 ZINC000925696785 634357527 /nfs/dbraw/zinc/35/75/27/634357527.db2.gz AUOATNHNANCBQN-VXGBXAGGSA-N 3 0 221.348 0.766 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NCC1=CC[NH2+]CC1 ZINC000925696849 634358822 /nfs/dbraw/zinc/35/88/22/634358822.db2.gz BOFOGMPLUQXLGU-NSHDSACASA-N 2 0 209.337 0.636 20 0 BCADRP C[C@H](C[NH3+])CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925697714 634359688 /nfs/dbraw/zinc/35/96/88/634359688.db2.gz HPBUGWNYIHXEPP-GHMZBOCLSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CNCCOC1 ZINC000925698148 634362615 /nfs/dbraw/zinc/36/26/15/634362615.db2.gz CKPDSECHBACOAP-QWRGUYRKSA-N 3 0 215.341 0.082 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CNCCOC1 ZINC000925698147 634362933 /nfs/dbraw/zinc/36/29/33/634362933.db2.gz CKPDSECHBACOAP-MNOVXSKESA-N 3 0 215.341 0.082 20 0 BCADRP C1=C(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC[NH2+]C1 ZINC000925698629 634363963 /nfs/dbraw/zinc/36/39/63/634363963.db2.gz LAAITPCJZCSTTL-YHQUGGNUSA-N 2 0 233.359 0.492 20 0 BCADRP COCC[NH2+]CCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925698580 634364898 /nfs/dbraw/zinc/36/48/98/634364898.db2.gz KUPVMDDFRJDKCX-RYUDHWBXSA-N 2 0 243.395 0.718 20 0 BCADRP C[C@]1(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCC[NH2+]C1 ZINC000925699340 634366427 /nfs/dbraw/zinc/36/64/27/634366427.db2.gz OEADKGSOBZTILF-VMCMIOBHSA-N 2 0 249.402 0.962 20 0 BCADRP CC(C)([NH3+])CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925699134 634366485 /nfs/dbraw/zinc/36/64/85/634366485.db2.gz NCNKQJIRDASZFI-OGBGREFGSA-N 2 0 209.337 0.310 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H](NCC2C[NH2+]C2)C1 ZINC000925699345 634366707 /nfs/dbraw/zinc/36/67/07/634366707.db2.gz OHFZXIBLYHUVRW-GHMZBOCLSA-N 2 0 211.353 0.701 20 0 BCADRP CCCC[C@H](C[NH3+])N[C@@H]1C[NH2+]CCOC1 ZINC000925699488 634367002 /nfs/dbraw/zinc/36/70/02/634367002.db2.gz PDBXVIBVIOBUTQ-GHMZBOCLSA-N 2 0 215.341 0.082 20 0 BCADRP CC1(C)C[C@@H](NCC2C[NH2+]C2)C[C@@H]([NH3+])C1 ZINC000925699346 634367067 /nfs/dbraw/zinc/36/70/67/634367067.db2.gz OHFZXIBLYHUVRW-MNOVXSKESA-N 2 0 211.353 0.701 20 0 BCADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CCC[NH2+]C1)[NH2+]2 ZINC000925699177 634367149 /nfs/dbraw/zinc/36/71/49/634367149.db2.gz NQQPCDDRZNTCEB-NWBUJAPZSA-N 2 0 223.364 0.857 20 0 BCADRP C1[NH2+][C@H]2[C@H](N[C@@H]3CCC[NH2+]CC3)[C@H]3C[C@H]1[C@@H]2C3 ZINC000925698925 634367174 /nfs/dbraw/zinc/36/71/74/634367174.db2.gz HWYLQRFSHQNBRE-GMDXDWKASA-N 2 0 235.375 0.715 20 0 BCADRP C[C@@H]1C[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC[NH2+]1 ZINC000925698960 634367266 /nfs/dbraw/zinc/36/72/66/634367266.db2.gz HYSHNWFDFWKEAC-MCKGTNQJSA-N 2 0 235.375 0.713 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925699640 634367709 /nfs/dbraw/zinc/36/77/09/634367709.db2.gz LMFMIPAQYHXFHD-VWBGDHHKSA-N 2 0 235.375 0.570 20 0 BCADRP [NH3+][C@@H]1C[C@@H](NC[C@H]2CC[NH2+]C2)C12CCC2 ZINC000925700076 634368233 /nfs/dbraw/zinc/36/82/33/634368233.db2.gz RILVFUJRXQKINY-HBNTYKKESA-N 2 0 209.337 0.455 20 0 BCADRP [NH3+][C@H]1C[C@H](N[C@H]2CCC[NH2+]C2)C12CCC2 ZINC000925700379 634369405 /nfs/dbraw/zinc/36/94/05/634369405.db2.gz SPMWBPALMDUQCX-DCAQKATOSA-N 2 0 209.337 0.598 20 0 BCADRP c1cc(CN[C@@H]2C[NH2+]CCOC2)cc2c1C[NH2+]C2 ZINC000925700506 634370731 /nfs/dbraw/zinc/37/07/31/634370731.db2.gz QMNSXALQUOZCKG-CQSZACIVSA-N 2 0 247.342 0.368 20 0 BCADRP C[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])C23CCC3)CC[NH2+]1 ZINC000925700755 634372691 /nfs/dbraw/zinc/37/26/91/634372691.db2.gz SLFWVTUWRCFDMQ-WYUUTHIRSA-N 2 0 223.364 0.986 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424033520 635151336 /nfs/dbraw/zinc/15/13/36/635151336.db2.gz YBARDUZEWXAISW-CYBMUJFWSA-N 2 0 239.363 0.683 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424033521 635151970 /nfs/dbraw/zinc/15/19/70/635151970.db2.gz YBARDUZEWXAISW-ZDUSSCGKSA-N 2 0 239.363 0.683 20 0 BCADRP [NH3+]CCN1CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC000259255645 635258241 /nfs/dbraw/zinc/25/82/41/635258241.db2.gz MRJWLAFZOYONCJ-GFCCVEGCSA-N 2 0 227.352 0.178 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000925791853 635320789 /nfs/dbraw/zinc/32/07/89/635320789.db2.gz SQEDZWAODBGSGV-FVCCEPFGSA-N 3 0 225.380 0.914 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000925798889 635340535 /nfs/dbraw/zinc/34/05/35/635340535.db2.gz XHETYROXZOKWPT-WISYIIOYSA-N 3 0 211.353 0.701 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167658092 635385030 /nfs/dbraw/zinc/38/50/30/635385030.db2.gz ZGXHTAFNRKJBLS-QJPTWQEYSA-N 2 0 230.352 0.301 20 0 BCADRP Cc1cc(CC[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)nn1C ZINC000925834774 635484067 /nfs/dbraw/zinc/48/40/67/635484067.db2.gz OTBAHELJBNIBBS-RYUDHWBXSA-N 2 0 236.363 0.859 20 0 BCADRP Cc1cc(CC[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)nn1C ZINC000925834776 635484492 /nfs/dbraw/zinc/48/44/92/635484492.db2.gz OTBAHELJBNIBBS-VXGBXAGGSA-N 2 0 236.363 0.859 20 0 BCADRP Cn1nnc2c1C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)CC2 ZINC000925892420 635617962 /nfs/dbraw/zinc/61/79/62/635617962.db2.gz AOPAVQONDBDDME-QWRGUYRKSA-N 2 0 249.362 0.404 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000925892885 635618366 /nfs/dbraw/zinc/61/83/66/635618366.db2.gz HFFGIBINYQCQLZ-GUBZILKMSA-N 2 0 237.351 0.388 20 0 BCADRP CN1C[C@H]([NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](C)C3)CC1=O ZINC000924896250 635750760 /nfs/dbraw/zinc/75/07/60/635750760.db2.gz MEAHPONVISONGN-YIVACMHISA-N 2 0 237.347 0.147 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335641844 635886291 /nfs/dbraw/zinc/88/62/91/635886291.db2.gz WVJNFKAFDDXEAM-ONGXEEELSA-N 2 0 211.309 0.078 20 0 BCADRP CC[C@@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000054240424 636236033 /nfs/dbraw/zinc/23/60/33/636236033.db2.gz BSQJLGXSGDEAKP-NSHDSACASA-N 2 0 200.326 0.689 20 0 BCADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1nncn1C ZINC000054241570 636238006 /nfs/dbraw/zinc/23/80/06/636238006.db2.gz JUJWZGCHWLHPFB-JTQLQIEISA-N 2 0 237.351 0.808 20 0 BCADRP C[NH+](C)CCNC(=S)N1CC[C@H]([NH+](C)C)C1 ZINC000728176331 636248609 /nfs/dbraw/zinc/24/86/09/636248609.db2.gz NCPPJCJVEZBTLH-JTQLQIEISA-N 2 0 244.408 0.058 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000310523116 636266012 /nfs/dbraw/zinc/26/60/12/636266012.db2.gz MKBMVUHXDGADAK-CHWSQXEVSA-N 3 0 241.379 0.114 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000870852968 636382785 /nfs/dbraw/zinc/38/27/85/636382785.db2.gz PQAYMOXSVCUVJF-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870983127 636397275 /nfs/dbraw/zinc/39/72/75/636397275.db2.gz SWDDEGQPUDOTFE-RYUDHWBXSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870983250 636397779 /nfs/dbraw/zinc/39/77/79/636397779.db2.gz UBTWLCKQPGZSDN-TUAOUCFPSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)C[C@@H](CNC(=O)[C@@H](C)C[NH3+])[NH+](C)C ZINC000054343993 636427463 /nfs/dbraw/zinc/42/74/63/636427463.db2.gz GZNWZQOXDBWPGW-QWRGUYRKSA-N 2 0 229.368 0.674 20 0 BCADRP CC[NH2+]CCNC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000418316282 636540352 /nfs/dbraw/zinc/54/03/52/636540352.db2.gz JMCZHWQSBHGWJY-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP CNC(=O)C[C@H](C)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000322816096 636880838 /nfs/dbraw/zinc/88/08/38/636880838.db2.gz VNOGQPULZJUSJJ-TZSFNEBQSA-N 2 0 237.347 0.097 20 0 BCADRP CNC(=O)C[C@H](C)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000322816094 636882370 /nfs/dbraw/zinc/88/23/70/636882370.db2.gz VNOGQPULZJUSJJ-FABMZRAQSA-N 2 0 237.347 0.097 20 0 BCADRP CON1CCC([NH2+]C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000323080766 636897320 /nfs/dbraw/zinc/89/73/20/636897320.db2.gz TZQKHMYKLCTZLE-LBPRGKRZSA-N 2 0 241.379 0.944 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000866701342 636931625 /nfs/dbraw/zinc/93/16/25/636931625.db2.gz JLUOOWSTFWBSPY-XQQFMLRXSA-N 2 0 224.348 0.855 20 0 BCADRP C[C@H](CNC(=O)C(C)(C)[NH3+])[NH+]1CCCCC1 ZINC000040924297 636947371 /nfs/dbraw/zinc/94/73/71/636947371.db2.gz BFGIYXLHJXIRTM-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CN1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1=O ZINC000902362819 637299275 /nfs/dbraw/zinc/29/92/75/637299275.db2.gz WEFVISONIMSAEW-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902363910 637301716 /nfs/dbraw/zinc/30/17/16/637301716.db2.gz PGXAYNXRSRCPBG-NXEZZACHSA-N 2 0 200.326 0.735 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCN(C3CC3)C(=O)C2)C1 ZINC000903438514 637363289 /nfs/dbraw/zinc/36/32/89/637363289.db2.gz WXYFYYIYAKZMDG-WDEREUQCSA-N 2 0 237.347 0.420 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC2CC1(C[NH3+])C2 ZINC000903463411 637364582 /nfs/dbraw/zinc/36/45/82/637364582.db2.gz AGCBZQPKYDYOAL-ZYGVAYEYSA-N 2 0 209.337 0.265 20 0 BCADRP C[C@@H](O)C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000903463874 637364681 /nfs/dbraw/zinc/36/46/81/637364681.db2.gz QOHZDTFJGTYFFP-MXWKQRLJSA-N 2 0 212.337 0.959 20 0 BCADRP COC(=O)[C@]1(F)CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903463614 637365396 /nfs/dbraw/zinc/36/53/96/637365396.db2.gz GVJXJGMRDPEKEG-SCVCMEIPSA-N 2 0 244.310 0.701 20 0 BCADRP OCC[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903722805 637378450 /nfs/dbraw/zinc/37/84/50/637378450.db2.gz DNOMIDBNHDILNZ-OLZOCXBDSA-N 2 0 240.347 0.212 20 0 BCADRP COCC[N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722845 637380323 /nfs/dbraw/zinc/38/03/23/637380323.db2.gz DTQCJXYZFFMMJO-GFCCVEGCSA-N 2 0 242.363 0.723 20 0 BCADRP C(N1CC[C@@]2(C1)CCCC[NH2+]2)[C@]12C[C@H]1C[NH2+]C2 ZINC000904429751 637401422 /nfs/dbraw/zinc/40/14/22/637401422.db2.gz NKAOUCWAHQUAHG-BFHYXJOUSA-N 2 0 235.375 0.814 20 0 BCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000904459799 637421189 /nfs/dbraw/zinc/42/11/89/637421189.db2.gz XFTJWMIYXMYAMI-IACUBPJLSA-N 2 0 231.343 0.953 20 0 BCADRP CC[N@H+](CCC(=O)NC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000904469468 637422628 /nfs/dbraw/zinc/42/26/28/637422628.db2.gz MZJJPNHYOCZPJZ-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CCN(CCC(=O)NC)C[C@@H]([NH3+])CC(C)C ZINC000904468420 637423084 /nfs/dbraw/zinc/42/30/84/637423084.db2.gz CFCRHHLCPIMAPW-NSHDSACASA-N 2 0 229.368 0.818 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000904916576 637522111 /nfs/dbraw/zinc/52/21/11/637522111.db2.gz JFQUSWYCKCKKDO-NEPJUHHUSA-N 2 0 229.368 0.994 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C(C)(C)[NH3+] ZINC000904924908 637529166 /nfs/dbraw/zinc/52/91/66/637529166.db2.gz AMYNFAXZIDBDFF-MRVPVSSYSA-N 2 0 201.314 0.213 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H](C[NH3+])CC(C)C ZINC000904926605 637530550 /nfs/dbraw/zinc/53/05/50/637530550.db2.gz VWJKXFLWKMQTIM-JQWIXIFHSA-N 2 0 229.368 0.994 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000904927939 637531611 /nfs/dbraw/zinc/53/16/11/637531611.db2.gz IMXUGTLJIOSLCW-JOYOIKCWSA-N 2 0 229.368 0.994 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000904927937 637532000 /nfs/dbraw/zinc/53/20/00/637532000.db2.gz IMXUGTLJIOSLCW-BXKDBHETSA-N 2 0 229.368 0.994 20 0 BCADRP CC(C)(C)[NH2+]Cc1cn(CC2C[NH2+]C2)nn1 ZINC000905057971 637591192 /nfs/dbraw/zinc/59/11/92/637591192.db2.gz ANUBTTPSBOIXJZ-UHFFFAOYSA-N 2 0 223.324 0.386 20 0 BCADRP CC(C)(C)[NH2+]Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000905057985 637591928 /nfs/dbraw/zinc/59/19/28/637591928.db2.gz BCHDFBYEAYJUHR-JTQLQIEISA-N 2 0 237.351 0.918 20 0 BCADRP C[NH+](C)CCn1cc([C@@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000905061397 637596215 /nfs/dbraw/zinc/59/62/15/637596215.db2.gz GJNGABPFAYVOCT-GHMZBOCLSA-N 2 0 239.323 0.019 20 0 BCADRP [NH3+]C1(Cc2nc(CC3CC[NH2+]CC3)no2)CC1 ZINC000905308495 637766062 /nfs/dbraw/zinc/76/60/62/637766062.db2.gz KTPUGOAAJIMPJD-UHFFFAOYSA-N 2 0 236.319 0.646 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000905308127 637766293 /nfs/dbraw/zinc/76/62/93/637766293.db2.gz FPNQXINBJNMMNL-DTWKUNHWSA-N 2 0 222.292 0.426 20 0 BCADRP CCC[C@H](O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000905590918 637857824 /nfs/dbraw/zinc/85/78/24/637857824.db2.gz UEIINWIUNZCQIE-STQMWFEESA-N 2 0 244.379 0.584 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000906092066 638047875 /nfs/dbraw/zinc/04/78/75/638047875.db2.gz HBHGNFNBJYGIBF-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H]1CN(C(=O)[C@H]([NH3+])CC(C)C)CC[C@H]1[NH3+] ZINC000906091920 638048066 /nfs/dbraw/zinc/04/80/66/638048066.db2.gz PQWOCJKUDJZEPT-QJPTWQEYSA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000906092027 638048776 /nfs/dbraw/zinc/04/87/76/638048776.db2.gz SLAVQAYVLWAXJM-OUAUKWLOSA-N 2 0 227.352 0.556 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000906097207 638053233 /nfs/dbraw/zinc/05/32/33/638053233.db2.gz MISBGPLCMRCVEX-DMDPSCGWSA-N 2 0 239.363 0.700 20 0 BCADRP CN(C(=O)[C@@]1(C)CC[NH2+]C1)c1cc(C[NH3+])ccn1 ZINC000906228832 638121075 /nfs/dbraw/zinc/12/10/75/638121075.db2.gz JYKHIVWNCPWGCX-ZDUSSCGKSA-N 2 0 248.330 0.503 20 0 BCADRP CN(C)CC(N)=NOCC[C@H]1CCCC[N@@H+]1C ZINC000906507433 638179670 /nfs/dbraw/zinc/17/96/70/638179670.db2.gz CFJFWHQLDHUVTC-LLVKDONJSA-N 2 0 242.367 0.921 20 0 BCADRP COC(=O)C1CCC([NH2+]C2CC([NH3+])C2)CC1 ZINC000906511037 638184659 /nfs/dbraw/zinc/18/46/59/638184659.db2.gz QPNMHQDNWRROQJ-UHFFFAOYSA-N 2 0 226.320 0.798 20 0 BCADRP COC(=O)c1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c[nH]1 ZINC000906516347 638185336 /nfs/dbraw/zinc/18/53/36/638185336.db2.gz FKYJPOTWCSVQLD-KYZUINATSA-N 2 0 223.276 0.381 20 0 BCADRP [NH3+]C1CC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000906511495 638186061 /nfs/dbraw/zinc/18/60/61/638186061.db2.gz XVSPKPSUHZJDHM-FYYRKSLSSA-N 3 0 209.337 0.454 20 0 BCADRP C[N@@H+]1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC000908350594 638662403 /nfs/dbraw/zinc/66/24/03/638662403.db2.gz ZRBIDHMRCYRRSK-NEPJUHHUSA-N 2 0 249.358 0.245 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C)[NH+](C)C ZINC000908414517 638700207 /nfs/dbraw/zinc/70/02/07/638700207.db2.gz QARFTAWPPWQJPS-WOPDTQHZSA-N 2 0 241.379 0.878 20 0 BCADRP CN1CC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000712558489 711472882 /nfs/dbraw/zinc/47/28/82/711472882.db2.gz PQRCPAHXDWTULI-RWMBFGLXSA-N 2 0 223.364 0.907 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])C(=O)N1CCC([NH3+])CC1 ZINC000911619918 639682268 /nfs/dbraw/zinc/68/22/68/639682268.db2.gz MIODVNHAIZWBAK-CYBMUJFWSA-N 2 0 241.379 0.947 20 0 BCADRP [NH3+]CCNC(=O)[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000911621767 639682383 /nfs/dbraw/zinc/68/23/83/639682383.db2.gz AQODIUAAONFXSA-NSHDSACASA-N 2 0 239.363 0.621 20 0 BCADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000911620306 639682562 /nfs/dbraw/zinc/68/25/62/639682562.db2.gz PIURILIDLCSUPL-SECBINFHSA-N 2 0 211.309 0.030 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000911628440 639687157 /nfs/dbraw/zinc/68/71/57/639687157.db2.gz NERAPKVTEZKSPF-GFCCVEGCSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000911628442 639688111 /nfs/dbraw/zinc/68/81/11/639688111.db2.gz NERAPKVTEZKSPF-LBPRGKRZSA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+]CCCSCCC(=O)NC1CC[NH2+]CC1 ZINC000911628556 639688207 /nfs/dbraw/zinc/68/82/07/639688207.db2.gz PLAKCTAJJKNTFA-UHFFFAOYSA-N 2 0 245.392 0.327 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C2CC([NH2+]C)C2)C1 ZINC000911632710 639690948 /nfs/dbraw/zinc/69/09/48/639690948.db2.gz BJSBIRNLLLMLGJ-UNXYVOJBSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000911660652 639692631 /nfs/dbraw/zinc/69/26/31/639692631.db2.gz MJGCCNLYESRBCC-NXEZZACHSA-N 2 0 213.325 0.310 20 0 BCADRP [NH3+]CC1CCN(C(=O)C23CCC(CC2)[NH2+]3)CC1 ZINC000911669763 639696264 /nfs/dbraw/zinc/69/62/64/639696264.db2.gz DNYDBUYEXZEYKK-UHFFFAOYSA-N 2 0 237.347 0.468 20 0 BCADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)CO)C2)CC1 ZINC000930310342 639696684 /nfs/dbraw/zinc/69/66/84/639696684.db2.gz FRPIOWDQFVHYQX-GFCCVEGCSA-N 2 0 242.363 0.147 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])C(=O)N1CC[NH2+]CC1 ZINC000911647047 639699642 /nfs/dbraw/zinc/69/96/42/639699642.db2.gz MVMJZUHXZKGMNN-GFCCVEGCSA-N 2 0 227.352 0.429 20 0 BCADRP [NH3+]CCCNC(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1 ZINC000911647679 639701738 /nfs/dbraw/zinc/70/17/38/639701738.db2.gz HEFXJYCMDSXMAU-MQMHXKEQSA-N 2 0 247.342 0.511 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)c1 ZINC000911647644 639702100 /nfs/dbraw/zinc/70/21/00/639702100.db2.gz DOKZOMIJCYBZGP-FRRDWIJNSA-N 2 0 245.326 0.939 20 0 BCADRP [NH3+]CCCNC(=O)[C@H]1NCCOc2ccccc21 ZINC000911648256 639705580 /nfs/dbraw/zinc/70/55/80/639705580.db2.gz NYIFRXWYMBCBOI-LBPRGKRZSA-N 2 0 249.314 0.175 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCC1CC[NH2+]CC1 ZINC000911672831 639707851 /nfs/dbraw/zinc/70/78/51/639707851.db2.gz OICJBWBPTPCYQW-ZYHUDNBSSA-N 2 0 239.363 0.348 20 0 BCADRP [NH3+]C1(CNC(=O)C23CC(C2)C[NH2+]3)CCCCC1 ZINC000911652276 639710658 /nfs/dbraw/zinc/71/06/58/639710658.db2.gz OHYCLCIHKUZVEA-UHFFFAOYSA-N 2 0 237.347 0.516 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)N1CCC[NH2+]CC1 ZINC000911656859 639711364 /nfs/dbraw/zinc/71/13/64/639711364.db2.gz WYGRMYGYZDCIDJ-JTQLQIEISA-N 2 0 245.392 0.279 20 0 BCADRP C[NH+](C)C1(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000911672591 639711927 /nfs/dbraw/zinc/71/19/27/639711927.db2.gz MWVFAAYJRNZHKR-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N1CCC[NH2+]CC1 ZINC000911656352 639712617 /nfs/dbraw/zinc/71/26/17/639712617.db2.gz NNUGQQJTXKJJCS-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)CCSCCC[NH3+])C1 ZINC000911656390 639712867 /nfs/dbraw/zinc/71/28/67/639712867.db2.gz MKRUVAWOEYPJAD-JTQLQIEISA-N 2 0 245.392 0.279 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C[C@H]([NH3+])C(C)(C)C)C1 ZINC000911657748 639713864 /nfs/dbraw/zinc/71/38/64/639713864.db2.gz YWNRTWGSKSAYCT-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911674835 639714331 /nfs/dbraw/zinc/71/43/31/639714331.db2.gz XLIDUXYGRVKCSS-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911676127 639718497 /nfs/dbraw/zinc/71/84/97/639718497.db2.gz HEVMVPPYCOMXIO-VIFPVBQESA-N 2 0 215.341 0.476 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NCCC[NH2+]C ZINC000911677807 639719699 /nfs/dbraw/zinc/71/96/99/639719699.db2.gz SVWVXEJVIMRNEO-UWVGGRQHSA-N 2 0 215.341 0.476 20 0 BCADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]([NH3+])CO)c1 ZINC000911682154 639721392 /nfs/dbraw/zinc/72/13/92/639721392.db2.gz KYIAPLKUNLDGAA-LLVKDONJSA-N 2 0 237.303 0.054 20 0 BCADRP CC[NH2+]CCCNC(=O)C[C@@H]([NH3+])CC(C)C ZINC000911688710 639726942 /nfs/dbraw/zinc/72/69/42/639726942.db2.gz UHMAVJKJMRYKMV-NSHDSACASA-N 2 0 229.368 0.866 20 0 BCADRP C[NH2+]Cc1cccc(NC(=O)C[C@@H](O)C[NH3+])c1 ZINC000911688995 639727237 /nfs/dbraw/zinc/72/72/37/639727237.db2.gz XZCFDHVJFKGTSS-LLVKDONJSA-N 2 0 237.303 0.054 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N(C)C1CC[NH2+]CC1 ZINC000911692586 639727381 /nfs/dbraw/zinc/72/73/81/639727381.db2.gz TWGDYTMGJIKDGM-CMPLNLGQSA-N 2 0 241.379 0.960 20 0 BCADRP CN(C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC[NH2+]CC1 ZINC000911691877 639727482 /nfs/dbraw/zinc/72/74/82/639727482.db2.gz HSUPWEHZURKCLW-MVWJERBFSA-N 2 0 237.347 0.337 20 0 BCADRP CN(C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)C1CC[NH2+]CC1 ZINC000911692513 639728694 /nfs/dbraw/zinc/72/86/94/639728694.db2.gz PVJVFSJIPQQNFA-WOPDTQHZSA-N 2 0 237.347 0.052 20 0 BCADRP C[NH2+]C1CC(C(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000911691526 639728846 /nfs/dbraw/zinc/72/88/46/639728846.db2.gz ANTPYHSUVGAASU-UHFFFAOYSA-N 2 0 225.336 0.195 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000911688618 639729186 /nfs/dbraw/zinc/72/91/86/639729186.db2.gz RWTNUQWFLZRNQP-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP [NH3+][C@@H]1C[C@H](C(=O)NCC2CC[NH2+]CC2)[C@H]2C[C@H]21 ZINC000911673267 639736023 /nfs/dbraw/zinc/73/60/23/639736023.db2.gz UCEWRSVSAACDFY-WHOHXGKFSA-N 2 0 237.347 0.086 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000911712393 639737308 /nfs/dbraw/zinc/73/73/08/639737308.db2.gz AVHFOQLACUDUPV-VQXHTEKXSA-N 2 0 225.336 0.324 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)C1=CCC[NH2+]CC1 ZINC000911712457 639738924 /nfs/dbraw/zinc/73/89/24/639738924.db2.gz BILKFTWVSNIUJL-LBPRGKRZSA-N 2 0 237.347 0.555 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911713597 639740594 /nfs/dbraw/zinc/74/05/94/639740594.db2.gz JCKZRLLWVTWTLP-IJLUTSLNSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)CC1CC([NH3+])C1 ZINC000911722473 639746481 /nfs/dbraw/zinc/74/64/81/639746481.db2.gz SVPZGFMNNOKRPO-VQXHTEKXSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@H](NC(=O)CC(C)(C)C[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000911725037 639750841 /nfs/dbraw/zinc/75/08/41/639750841.db2.gz HNPGIYGCXGARJJ-WDEREUQCSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C ZINC000911725804 639752273 /nfs/dbraw/zinc/75/22/73/639752273.db2.gz YIPIJEJJLGWKHZ-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C ZINC000911725803 639752422 /nfs/dbraw/zinc/75/24/22/639752422.db2.gz YIPIJEJJLGWKHZ-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@]23CC[C@H]2C[NH2+]C3)CC1 ZINC000911726698 639754642 /nfs/dbraw/zinc/75/46/42/639754642.db2.gz UZCLZASCLSMJMU-YUVKLTJASA-N 2 0 237.347 0.372 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911707607 639759590 /nfs/dbraw/zinc/75/95/90/639759590.db2.gz NYPLADNZZQPHLR-SDDRHHMPSA-N 2 0 241.379 0.866 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C1 ZINC000911708004 639760171 /nfs/dbraw/zinc/76/01/71/639760171.db2.gz RXSNSHDIVZDHLR-LOWVWBTDSA-N 2 0 237.347 0.326 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]C1)C12CCC(CC1)[NH2+]2 ZINC000911706715 639760515 /nfs/dbraw/zinc/76/05/15/639760515.db2.gz HLWBXACIYLFQIE-XSRFYTQQSA-N 2 0 237.347 0.387 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]C1)C1=CCC[NH2+]CC1 ZINC000911706761 639760962 /nfs/dbraw/zinc/76/09/62/639760962.db2.gz IXRDKSWJWGSMAM-LLVKDONJSA-N 2 0 237.347 0.412 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)CC(C)(C)C[NH3+])C1 ZINC000911736010 639762138 /nfs/dbraw/zinc/76/21/38/639762138.db2.gz FXCIIULTIRSQQT-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)C1 ZINC000911736183 639762220 /nfs/dbraw/zinc/76/22/20/639762220.db2.gz PSTGCWLCOAROJW-ZIQFBCGOSA-N 2 0 237.347 0.180 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000911739256 639764204 /nfs/dbraw/zinc/76/42/04/639764204.db2.gz SBYCVWYCBWDWSL-NEPJUHHUSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000911739918 639766932 /nfs/dbraw/zinc/76/69/32/639766932.db2.gz DEPVFLHLDRNPEE-LPEHRKFASA-N 2 0 215.341 0.603 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)CCSCCC[NH3+] ZINC000911744677 639770286 /nfs/dbraw/zinc/77/02/86/639770286.db2.gz KIJCUIWDBJICAE-VIFPVBQESA-N 2 0 233.381 0.312 20 0 BCADRP CC[NH2+]CCNC(=O)C(F)(F)C1CC[NH2+]CC1 ZINC000911752304 639779132 /nfs/dbraw/zinc/77/91/32/639779132.db2.gz UVYATWUOVAAYIQ-UHFFFAOYSA-N 2 0 249.305 0.347 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000911752422 639779895 /nfs/dbraw/zinc/77/98/95/639779895.db2.gz OFSYEHXZOAWSFP-CYBMUJFWSA-N 2 0 241.379 0.866 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911753714 639781672 /nfs/dbraw/zinc/78/16/72/639781672.db2.gz FLGPLJYGZAUQMD-UWVGGRQHSA-N 2 0 245.392 0.325 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CCC([C@@H](C)[NH3+])CC2)C1 ZINC000911752518 639782100 /nfs/dbraw/zinc/78/21/00/639782100.db2.gz FARCGJBIMDGPLW-OIKLOGQESA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC000911754312 639783910 /nfs/dbraw/zinc/78/39/10/639783910.db2.gz UPSXUMGIXGAAIG-FBIMIBRVSA-N 2 0 225.336 0.167 20 0 BCADRP [NH3+]CCCSCCC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911754411 639784650 /nfs/dbraw/zinc/78/46/50/639784650.db2.gz KGXDPRNLUYAINR-JTQLQIEISA-N 2 0 245.392 0.327 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)NC(C)(C)C[NH3+] ZINC000911765836 639790266 /nfs/dbraw/zinc/79/02/66/639790266.db2.gz VXAWTABKODJIPH-QMMMGPOBSA-N 2 0 233.381 0.310 20 0 BCADRP C[NH2+]C1CC(C(=O)NCCC[NH2+]C(C)C)C1 ZINC000911763592 639790451 /nfs/dbraw/zinc/79/04/51/639790451.db2.gz KZQMPMPNGYTXGC-UHFFFAOYSA-N 2 0 227.352 0.489 20 0 BCADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911766572 639790573 /nfs/dbraw/zinc/79/05/73/639790573.db2.gz FSTCZTJGNLXFAQ-WZRBSPASSA-N 2 0 237.347 0.244 20 0 BCADRP C[NH+](C)C1(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000911764635 639791700 /nfs/dbraw/zinc/79/17/00/639791700.db2.gz NHPOGINBYMNNGS-LBPRGKRZSA-N 2 0 247.342 0.897 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911763908 639792312 /nfs/dbraw/zinc/79/23/12/639792312.db2.gz PDQBQMFJYSTHHK-YPMHNXCESA-N 2 0 239.363 0.633 20 0 BCADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911769610 639792912 /nfs/dbraw/zinc/79/29/12/639792912.db2.gz WDMRRSFTLJITPD-MDZLAQPJSA-N 2 0 237.347 0.102 20 0 BCADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911768528 639793329 /nfs/dbraw/zinc/79/33/29/639793329.db2.gz QFDJIOJVXCPXDZ-NNYUYHANSA-N 2 0 237.347 0.243 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000911774104 639795984 /nfs/dbraw/zinc/79/59/84/639795984.db2.gz IFCUNFZJRZWKCL-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N(C)[C@H](C)C[NH3+] ZINC000911813453 639801246 /nfs/dbraw/zinc/80/12/46/639801246.db2.gz MOWUYUNXEJCOKU-IVZWLZJFSA-N 2 0 215.341 0.556 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N(C)[C@@H](C)C[NH3+] ZINC000911813454 639801507 /nfs/dbraw/zinc/80/15/07/639801507.db2.gz MOWUYUNXEJCOKU-LPEHRKFASA-N 2 0 215.341 0.556 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000911761587 639801901 /nfs/dbraw/zinc/80/19/01/639801901.db2.gz FFKBVZNYUAITDU-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911814938 639803096 /nfs/dbraw/zinc/80/30/96/639803096.db2.gz WJACWHRVAFZLJX-DTWKUNHWSA-N 2 0 215.341 0.556 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911786353 639803783 /nfs/dbraw/zinc/80/37/83/639803783.db2.gz AIFZQRGEVSZBDF-NWDGAFQWSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911814473 639804280 /nfs/dbraw/zinc/80/42/80/639804280.db2.gz RWQXOWWYKCLICQ-OPRDCNLKSA-N 2 0 213.325 0.071 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911786352 639804345 /nfs/dbraw/zinc/80/43/45/639804345.db2.gz AIFZQRGEVSZBDF-NEPJUHHUSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH3+] ZINC000911814896 639804546 /nfs/dbraw/zinc/80/45/46/639804546.db2.gz VWEOWINTGSZOPM-QWRGUYRKSA-N 2 0 227.352 0.665 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(C)(C)C)C[C@H](C)[NH2+]1 ZINC000911796279 639808825 /nfs/dbraw/zinc/80/88/25/639808825.db2.gz NGMCXLSPOJGLCT-OUAUKWLOSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@@H]1CN(C(=O)CC(C)(C)C[NH3+])C[C@H](C)[NH2+]1 ZINC000911795319 639818722 /nfs/dbraw/zinc/81/87/22/639818722.db2.gz IXLZXTRGJWZGFF-AOOOYVTPSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C[C@@H](C)[NH2+]1 ZINC000911797012 639819079 /nfs/dbraw/zinc/81/90/79/639819079.db2.gz PVJJVLNFPIHOFJ-UZWSLXQKSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@](C[NH3+])(NC(=O)CC1CC([NH3+])C1)C1CC1 ZINC000911799415 639820832 /nfs/dbraw/zinc/82/08/32/639820832.db2.gz HOPCADPOPADEIN-HSLLBKHCSA-N 2 0 225.336 0.357 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911798926 639820907 /nfs/dbraw/zinc/82/09/07/639820907.db2.gz ARVWFJBLCXTQBO-HBNTYKKESA-N 2 0 239.363 0.761 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000911800123 639821829 /nfs/dbraw/zinc/82/18/29/639821829.db2.gz NFDZFFYKDWTHLF-UTUOFQBUSA-N 2 0 241.379 0.959 20 0 BCADRP [NH3+]CC1(NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCCC1 ZINC000911800439 639822608 /nfs/dbraw/zinc/82/26/08/639822608.db2.gz QORYORSAGRRVDP-HBNTYKKESA-N 2 0 237.347 0.515 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911802688 639823509 /nfs/dbraw/zinc/82/35/09/639823509.db2.gz KZNPQFOEXMUBBH-GIPNMCIBSA-N 2 0 239.363 0.476 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911803540 639825901 /nfs/dbraw/zinc/82/59/01/639825901.db2.gz SMGKJQBHQNGNHE-MFKMUULPSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911803538 639826277 /nfs/dbraw/zinc/82/62/77/639826277.db2.gz SMGKJQBHQNGNHE-GWCFXTLKSA-N 2 0 241.379 0.994 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000911810884 639832282 /nfs/dbraw/zinc/83/22/82/639832282.db2.gz NJRHYWWKCYJEFE-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])CC(C)C ZINC000911813125 639834070 /nfs/dbraw/zinc/83/40/70/639834070.db2.gz MDOHHBZWUARFKS-VHSXEESVSA-N 2 0 247.408 0.556 20 0 BCADRP C[C@H]1CN(C(=O)C23CCC(CC2)[NH2+]3)CC[NH2+]1 ZINC000911813150 639834702 /nfs/dbraw/zinc/83/47/02/639834702.db2.gz VUCYNQSQBABWOC-BMQDGWLCSA-N 2 0 223.320 0.091 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)CC[C@@H]1[NH3+] ZINC000911821056 639835735 /nfs/dbraw/zinc/83/57/35/639835735.db2.gz UFEJEFRBRPIFOP-DCQANWLSSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000911819375 639836245 /nfs/dbraw/zinc/83/62/45/639836245.db2.gz CYFRGMMPIABYFF-WHOHXGKFSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])C1 ZINC000911823634 639837384 /nfs/dbraw/zinc/83/73/84/639837384.db2.gz MDZBZKKQTRKHGE-LMLFDSFASA-N 2 0 225.336 0.167 20 0 BCADRP C[NH2+]C1(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CCC1 ZINC000911824430 639837679 /nfs/dbraw/zinc/83/76/79/639837679.db2.gz NVXBKDCHWUOKMW-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]C1CC(C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000911823870 639837695 /nfs/dbraw/zinc/83/76/95/639837695.db2.gz AIDXPRJJDVEILG-UDNWOFFPSA-N 2 0 213.325 0.084 20 0 BCADRP C[NH2+]CCCCC(=O)NC[C@@H]([NH3+])C(C)C ZINC000911826818 639839687 /nfs/dbraw/zinc/83/96/87/639839687.db2.gz QOBHEHSUROBESH-SNVBAGLBSA-N 2 0 215.341 0.476 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC[C@H]1[NH3+] ZINC000911824378 639838369 /nfs/dbraw/zinc/83/83/69/639838369.db2.gz NPIGHPBNVBTILF-QCNOEVLYSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CC(C)(C)C[NH3+] ZINC000911826553 639839352 /nfs/dbraw/zinc/83/93/52/639839352.db2.gz PDXMOSWVPFITMM-VIFPVBQESA-N 2 0 215.341 0.461 20 0 BCADRP C[NH2+]CCCCC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000911828200 639839617 /nfs/dbraw/zinc/83/96/17/639839617.db2.gz YIDOUIWVQZOVRN-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000911826391 639839745 /nfs/dbraw/zinc/83/97/45/639839745.db2.gz RYPLHIFARKWAIY-DMOGRIERSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000911826396 639839978 /nfs/dbraw/zinc/83/99/78/639839978.db2.gz RYPLHIFARKWAIY-QYNFOATHSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+]C1CC(C(=O)N[C@@](C)(C[NH3+])CC(C)C)C1 ZINC000911828892 639841567 /nfs/dbraw/zinc/84/15/67/639841567.db2.gz FNDZHPVYHKDGHM-GCZXYKMCSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@@H]1CCCN(C(=O)CC2CC([NH3+])C2)[C@H]1C[NH3+] ZINC000911828233 639841589 /nfs/dbraw/zinc/84/15/89/639841589.db2.gz YUTHYIBFEZFKMF-YYJSSNLHSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)NC[C@@H]([NH3+])C(C)C ZINC000911830067 639841768 /nfs/dbraw/zinc/84/17/68/639841768.db2.gz OFKWIYQBNBZTAD-WDEREUQCSA-N 2 0 229.368 0.849 20 0 BCADRP [NH3+]CCCSCCC(=O)N[C@H](C[NH3+])C1CC1 ZINC000911831029 639842724 /nfs/dbraw/zinc/84/27/24/639842724.db2.gz BIVJFBAAFQHZHX-SNVBAGLBSA-N 2 0 245.392 0.312 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911833882 639845008 /nfs/dbraw/zinc/84/50/08/639845008.db2.gz SYUREWMIMYDCIC-OOTJXSFTSA-N 2 0 239.363 0.459 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1[NH3+])C1CC1 ZINC000911833336 639845626 /nfs/dbraw/zinc/84/56/26/639845626.db2.gz KSWGCNLVCLLRQP-VWYCJHECSA-N 2 0 225.336 0.357 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C1=CCC[NH2+]CC1)C1CC1 ZINC000911835915 639847510 /nfs/dbraw/zinc/84/75/10/639847510.db2.gz WFMPHNRCCAMHMO-LLVKDONJSA-N 2 0 223.320 0.150 20 0 BCADRP C[NH2+]CCCCC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000911838253 639848063 /nfs/dbraw/zinc/84/80/63/639848063.db2.gz ZSVUIFXJJCMNJX-GFCCVEGCSA-N 2 0 229.368 0.866 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)C1 ZINC000911816638 639848109 /nfs/dbraw/zinc/84/81/09/639848109.db2.gz CQIZYHNXUGDZLY-IDWGSYCQSA-N 2 0 225.336 0.180 20 0 BCADRP C[NH2+]CCCCC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000911838254 639848116 /nfs/dbraw/zinc/84/81/16/639848116.db2.gz ZSVUIFXJJCMNJX-LBPRGKRZSA-N 2 0 229.368 0.866 20 0 BCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[C@@H]1[NH3+] ZINC000911817021 639848838 /nfs/dbraw/zinc/84/88/38/639848838.db2.gz FORJZBKMUQUPDV-ZJUUUORDSA-N 2 0 225.336 0.276 20 0 BCADRP C[NH2+]C1(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CCC1 ZINC000911816370 639848977 /nfs/dbraw/zinc/84/89/77/639848977.db2.gz BNXBURGCNWWLNJ-UWVGGRQHSA-N 2 0 225.336 0.324 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911858870 639849708 /nfs/dbraw/zinc/84/97/08/639849708.db2.gz WFIULTDNRNFJIW-OUAUKWLOSA-N 2 0 239.363 0.476 20 0 BCADRP C[C@@H]1CN(C(=O)C2=CCC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000911818404 639849783 /nfs/dbraw/zinc/84/97/83/639849783.db2.gz MLJFPKZXEJJTIR-ZYHUDNBSSA-N 2 0 237.347 0.492 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]([NH3+])C(C)(C)C)CC[C@H]1[NH3+] ZINC000911817288 639850258 /nfs/dbraw/zinc/85/02/58/639850258.db2.gz GRVGFQLLRWECKU-MXWKQRLJSA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C1=CCC[NH2+]CC1 ZINC000911817509 639850298 /nfs/dbraw/zinc/85/02/98/639850298.db2.gz DSXWOHRIVGILPT-GFCCVEGCSA-N 2 0 239.363 0.786 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccccc2C[NH3+])CC[C@H]1[NH3+] ZINC000911817700 639850409 /nfs/dbraw/zinc/85/04/09/639850409.db2.gz JCQJRIKUTXUSAJ-ZWNOBZJWSA-N 2 0 247.342 0.955 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]([NH3+])CC(C)C ZINC000911868456 639852606 /nfs/dbraw/zinc/85/26/06/639852606.db2.gz PWNUEXLCHHAPPD-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CC1CC([NH3+])C1 ZINC000911870737 639852921 /nfs/dbraw/zinc/85/29/21/639852921.db2.gz NXYKJSCYYCRVNE-HTAVTVPLSA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CC1CC([NH3+])C1 ZINC000911870738 639853682 /nfs/dbraw/zinc/85/36/82/639853682.db2.gz NXYKJSCYYCRVNE-MCIGGMRASA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000911846075 639854979 /nfs/dbraw/zinc/85/49/79/639854979.db2.gz MCDZCSMMTCMSIR-GFCCVEGCSA-N 2 0 229.368 0.851 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[NH2+]CC1(C)C ZINC000911845808 639855250 /nfs/dbraw/zinc/85/52/50/639855250.db2.gz DJUJQZJZIMJDKD-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1C[C@H](C(=O)N2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC000911847767 639855837 /nfs/dbraw/zinc/85/58/37/639855837.db2.gz OTQTZTDISCRVDH-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N1CC[NH2+]CC1(C)C ZINC000911847158 639856754 /nfs/dbraw/zinc/85/67/54/639856754.db2.gz KRKNLVQEIFRTAZ-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)([NH3+])CNC(=O)CC(C)(C)C[NH3+] ZINC000911846145 639856871 /nfs/dbraw/zinc/85/68/71/639856871.db2.gz NMERKJJWCIEYDY-UHFFFAOYSA-N 2 0 201.314 0.215 20 0 BCADRP O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911852323 639858452 /nfs/dbraw/zinc/85/84/52/639858452.db2.gz ODLNYEYUIGSYDD-RXGFPQBGSA-N 2 0 249.358 0.195 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)C1=CCC[NH2+]CC1 ZINC000911851815 639859089 /nfs/dbraw/zinc/85/90/89/639859089.db2.gz KWCNNNJJRVAHTA-LLVKDONJSA-N 2 0 223.320 0.246 20 0 BCADRP C[C@@H](C(=O)N[C@@]1(C)C[NH+]2CCC1CC2)[NH+](C)C ZINC000912375485 640046785 /nfs/dbraw/zinc/04/67/85/640046785.db2.gz XEIBTKUWWMTCPV-GWCFXTLKSA-N 2 0 239.363 0.537 20 0 BCADRP CC[NH2+]CC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000044294663 640175551 /nfs/dbraw/zinc/17/55/51/640175551.db2.gz ZTQHLOUOHVYIEX-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]2C1 ZINC000931429910 640198494 /nfs/dbraw/zinc/19/84/94/640198494.db2.gz JOPPBKOFXNMRNI-MNOVXSKESA-N 2 0 237.347 0.149 20 0 BCADRP CNC(=O)CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433317 640200914 /nfs/dbraw/zinc/20/09/14/640200914.db2.gz XOKNOXPRXBWZEX-WDEREUQCSA-N 2 0 225.336 0.006 20 0 BCADRP CCN(C#N)CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442259 640202949 /nfs/dbraw/zinc/20/29/49/640202949.db2.gz ZYGKSNLTWTVMRQ-QWHCGFSZSA-N 2 0 236.363 0.673 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2C1 ZINC000931434229 640204152 /nfs/dbraw/zinc/20/41/52/640204152.db2.gz QTTYCPCTSJWIMJ-NEPJUHHUSA-N 2 0 235.335 0.162 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC000931433265 640204562 /nfs/dbraw/zinc/20/45/62/640204562.db2.gz VRTITFQUQMDXOM-XQQFMLRXSA-N 2 0 224.348 0.906 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@](C)(O)C(F)F)C[C@@H]2C1 ZINC000931443440 640208641 /nfs/dbraw/zinc/20/86/41/640208641.db2.gz XTDULUBMCBXQQF-SCVCMEIPSA-N 2 0 248.317 0.886 20 0 BCADRP COC[C@@H](C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)OC ZINC000931441946 640208888 /nfs/dbraw/zinc/20/88/88/640208888.db2.gz RPYSNJYQQQSLRE-YNEHKIRRSA-N 2 0 242.363 0.531 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]([NH+]2CCC2)C1)[NH+](C)C ZINC000912900867 640232524 /nfs/dbraw/zinc/23/25/24/640232524.db2.gz UFAMPWKYCHLZLE-NWDGAFQWSA-N 2 0 239.363 0.633 20 0 BCADRP O=C(N1CC[C@@H]([NH+]2CCC2)C1)C12CC[NH+](CC1)C2 ZINC000912903579 640249894 /nfs/dbraw/zinc/24/98/94/640249894.db2.gz NLMVVCZKKKRULC-GFCCVEGCSA-N 2 0 249.358 0.389 20 0 BCADRP O=C(N1CC[C@H]([NH+]2CCC2)C1)C12CC[NH+](CC1)C2 ZINC000912903580 640250778 /nfs/dbraw/zinc/25/07/78/640250778.db2.gz NLMVVCZKKKRULC-LBPRGKRZSA-N 2 0 249.358 0.389 20 0 BCADRP COC[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2)OC ZINC000931717721 640336964 /nfs/dbraw/zinc/33/69/64/640336964.db2.gz BFOSAYNTGRCWSC-FRRDWIJNSA-N 2 0 242.363 0.816 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000044517966 640398390 /nfs/dbraw/zinc/39/83/90/640398390.db2.gz ROBNUKNTFLUQLA-LLVKDONJSA-N 2 0 246.376 0.105 20 0 BCADRP CCN(C)C(=O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000044518184 640398698 /nfs/dbraw/zinc/39/86/98/640398698.db2.gz NZTRMGURQDRYKT-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP CCNC(=O)[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000044518295 640399905 /nfs/dbraw/zinc/39/99/05/640399905.db2.gz WAMIOGMRIWVVEN-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH+]1CCC(CNC(=O)CCCCC[NH3+])CC1 ZINC000044526632 640401285 /nfs/dbraw/zinc/40/12/85/640401285.db2.gz CABHOBXYNBJZIQ-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC1CC[NH+](C)CC1 ZINC000044526682 640402164 /nfs/dbraw/zinc/40/21/64/640402164.db2.gz VQUQMPVNPPNHEM-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH+]1CCC(C[NH2+]Cc2cnc[nH]2)CC1 ZINC000054765259 640409585 /nfs/dbraw/zinc/40/95/85/640409585.db2.gz LCBZRYRTPXLRDS-UHFFFAOYSA-N 2 0 208.309 0.841 20 0 BCADRP CC[NH2+]CC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000044647542 640445427 /nfs/dbraw/zinc/44/54/27/640445427.db2.gz DRIUZTGAZSWRHR-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP CC[NH2+]CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000044646720 640446332 /nfs/dbraw/zinc/44/63/32/640446332.db2.gz OCMHPMOZAHSZEY-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000044651326 640447464 /nfs/dbraw/zinc/44/74/64/640447464.db2.gz ICSAMXZIEJBZGY-LLVKDONJSA-N 2 0 229.368 0.688 20 0 BCADRP CCC[NH+]1CCC(N(C)C(=O)C[NH2+]CC)CC1 ZINC000044650802 640448073 /nfs/dbraw/zinc/44/80/73/640448073.db2.gz WTIKEISGZSXUPT-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000225865608 640714022 /nfs/dbraw/zinc/71/40/22/640714022.db2.gz FFEIRZRZWPLYPF-RYUDHWBXSA-N 2 0 230.352 0.315 20 0 BCADRP CC[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167667710 640740911 /nfs/dbraw/zinc/74/09/11/640740911.db2.gz QWDSVOLEDVTJHF-AXFHLTTASA-N 2 0 200.326 0.674 20 0 BCADRP CC[NH2+]CC(=O)NCC[N@H+](CC)C1CC1 ZINC000226397667 640760664 /nfs/dbraw/zinc/76/06/64/640760664.db2.gz APSYJJSVQQRRRL-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP COCCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227766684 640848293 /nfs/dbraw/zinc/84/82/93/640848293.db2.gz XIEUFCWTLFVGJJ-QWRGUYRKSA-N 2 0 200.326 0.940 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000228531242 640878806 /nfs/dbraw/zinc/87/88/06/640878806.db2.gz BDBSWYVFPIZQOV-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229257796 640940332 /nfs/dbraw/zinc/94/03/32/640940332.db2.gz DGTUQKOEUJWAOW-NWDGAFQWSA-N 2 0 241.379 0.914 20 0 BCADRP CC(C)NC(=[NH2+])NCCC[NH+]1CCCC1 ZINC000062072542 641020378 /nfs/dbraw/zinc/02/03/78/641020378.db2.gz WNKLJMXRXVMLNB-UHFFFAOYSA-N 2 0 212.341 0.995 20 0 BCADRP CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000230386664 641049139 /nfs/dbraw/zinc/04/91/39/641049139.db2.gz ZQIQHPYAWWQGBK-GHMZBOCLSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@]1(C(=O)NCC[NH+]2CCCC2)CC[NH2+]C1 ZINC000062890625 641106342 /nfs/dbraw/zinc/10/63/42/641106342.db2.gz HSWWDDORUFAUBQ-GFCCVEGCSA-N 2 0 225.336 0.198 20 0 BCADRP Cn1cc(CC[N@@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC000230900134 641116139 /nfs/dbraw/zinc/11/61/39/641116139.db2.gz JRVHZMXMGPGXKK-LLVKDONJSA-N 2 0 222.336 0.633 20 0 BCADRP C[C@@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200411 641145120 /nfs/dbraw/zinc/14/51/20/641145120.db2.gz GOKGARYTRXUUNA-PWSUYJOCSA-N 2 0 212.337 0.831 20 0 BCADRP Cc1cc(NCC[N@@H+](C)C2CC2)nc(N)[nH+]1 ZINC000063248203 641148379 /nfs/dbraw/zinc/14/83/79/641148379.db2.gz IPOZGISOOAVGSX-UHFFFAOYSA-N 2 0 221.308 0.873 20 0 BCADRP C[NH+](C)CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000234237380 641183354 /nfs/dbraw/zinc/18/33/54/641183354.db2.gz KRYIKFBOVKMBJW-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP CCOC(CN1C[C@H]2C[NH2+]C[C@H]2C1)OCC ZINC000088009393 641237257 /nfs/dbraw/zinc/23/72/57/641237257.db2.gz ZSRRUQYZNORHON-PHIMTYICSA-N 2 0 228.336 0.537 20 0 BCADRP CNC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000232298197 641264149 /nfs/dbraw/zinc/26/41/49/641264149.db2.gz QPSQFNSFWKFQPD-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000040673692 641534871 /nfs/dbraw/zinc/53/48/71/641534871.db2.gz PUOAKJFPYKSWLD-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157633479 641620952 /nfs/dbraw/zinc/62/09/52/641620952.db2.gz GQBHOHPUYSKNJL-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)CC[N@@H+]1C ZINC000157890842 641625604 /nfs/dbraw/zinc/62/56/04/641625604.db2.gz ZZSZCJGJSKXNMZ-LOWVWBTDSA-N 2 0 239.363 0.727 20 0 BCADRP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000914315616 641637777 /nfs/dbraw/zinc/63/77/77/641637777.db2.gz WDUNGMYMHYRMIR-WDEREUQCSA-N 2 0 240.351 0.084 20 0 BCADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000914391401 641657546 /nfs/dbraw/zinc/65/75/46/641657546.db2.gz IHKBVFVXHJBIDT-WDEREUQCSA-N 2 0 240.351 0.084 20 0 BCADRP C[C@@H]1CN(C(=O)CCCCCC[NH3+])CC[NH2+]1 ZINC000188381282 641754703 /nfs/dbraw/zinc/75/47/03/641754703.db2.gz HAJIBTWBOSHGFK-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000637863107 641767645 /nfs/dbraw/zinc/76/76/45/641767645.db2.gz ZWKGXKJLHBSWSH-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP CCCN1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001031260699 641867843 /nfs/dbraw/zinc/86/78/43/641867843.db2.gz SNWUQZAWBPQEJS-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015705126 641882889 /nfs/dbraw/zinc/88/28/89/641882889.db2.gz IEJCNUGJEOOMCS-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP CCC[NH2+]CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000154119186 641963365 /nfs/dbraw/zinc/96/33/65/641963365.db2.gz JXNDTTRYLOVATQ-JTQLQIEISA-N 2 0 213.325 0.244 20 0 BCADRP [NH3+]CCCCCC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000154134956 641967443 /nfs/dbraw/zinc/96/74/43/641967443.db2.gz YWGKEZSUCJPHBS-NSHDSACASA-N 2 0 227.352 0.764 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H](O)CO)[C@H](C)C1 ZINC000930000853 642138330 /nfs/dbraw/zinc/13/83/30/642138330.db2.gz SCIZLDVEADZFJO-IJLUTSLNSA-N 2 0 230.352 0.002 20 0 BCADRP CCN1CC(NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001031440136 642142834 /nfs/dbraw/zinc/14/28/34/642142834.db2.gz QOHRZXPDMFFYKD-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP [NH3+]Cc1cc(C(=O)NCC[NH+]2CCCC2)co1 ZINC000188037351 642346733 /nfs/dbraw/zinc/34/67/33/642346733.db2.gz FVFXUTMSNULIMU-UHFFFAOYSA-N 2 0 237.303 0.564 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@H](O)CC(F)(F)F ZINC000307943234 642353644 /nfs/dbraw/zinc/35/36/44/642353644.db2.gz RMEQFHYCVVNHSZ-MRVPVSSYSA-N 2 0 228.258 0.841 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000234265123 642389103 /nfs/dbraw/zinc/38/91/03/642389103.db2.gz VXYMKWNXSVIUID-RYUDHWBXSA-N 3 0 229.368 0.282 20 0 BCADRP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001021906607 642453357 /nfs/dbraw/zinc/45/33/57/642453357.db2.gz RXRQHRWFTQUMRT-TUAOUCFPSA-N 2 0 239.363 0.726 20 0 BCADRP C[C@H](CC(=O)NCC(C)(C)[NH3+])C1CC[NH2+]CC1 ZINC000237604742 642724014 /nfs/dbraw/zinc/72/40/14/642724014.db2.gz OANGXMPNEFRWMC-SNVBAGLBSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H]1C[C@H](NCC2(C)OCCO2)CC[N@@H+]1C ZINC000179573165 642726298 /nfs/dbraw/zinc/72/62/98/642726298.db2.gz AFHYWBFNUMEKCJ-GHMZBOCLSA-N 2 0 228.336 0.822 20 0 BCADRP C[NH2+]C[C@@H]1CCCCN1C[C@H](O)COC ZINC000068892342 642807571 /nfs/dbraw/zinc/80/75/71/642807571.db2.gz NORMKBKFHORVOZ-QWRGUYRKSA-N 2 0 216.325 0.068 20 0 BCADRP CCOC[C@H](O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000068953559 642815201 /nfs/dbraw/zinc/81/52/01/642815201.db2.gz CJMPNRPANVPFMF-GFCCVEGCSA-N 2 0 230.352 0.315 20 0 BCADRP COC[C@@H](O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000069730052 642898327 /nfs/dbraw/zinc/89/83/27/642898327.db2.gz AOUHDGMMGGPGAL-NSHDSACASA-N 2 0 216.325 0.055 20 0 BCADRP CC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000253194959 642944229 /nfs/dbraw/zinc/94/42/29/642944229.db2.gz QWDSVOLEDVTJHF-DCAQKATOSA-N 2 0 200.326 0.674 20 0 BCADRP CC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253194960 642944997 /nfs/dbraw/zinc/94/49/97/642944997.db2.gz QWDSVOLEDVTJHF-MXWKQRLJSA-N 2 0 200.326 0.674 20 0 BCADRP CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001018617439 643003302 /nfs/dbraw/zinc/00/33/02/643003302.db2.gz VCQBMNOFVGHHSZ-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001019383993 643031055 /nfs/dbraw/zinc/03/10/55/643031055.db2.gz RMJFZQFYTMXSOP-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]([NH3+])CC1CC1)C1CC1 ZINC000304362772 643108181 /nfs/dbraw/zinc/10/81/81/643108181.db2.gz MZFTVHUFOYAKAS-LLVKDONJSA-N 2 0 225.336 0.324 20 0 BCADRP CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031976970 643148311 /nfs/dbraw/zinc/14/83/11/643148311.db2.gz UQGNMWQSFJVUDE-PWSUYJOCSA-N 2 0 239.363 0.252 20 0 BCADRP C[C@@H]1CC[N@H+](CCC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000253251445 643191019 /nfs/dbraw/zinc/19/10/19/643191019.db2.gz WQBHCZYUYOJEBX-GHMZBOCLSA-N 2 0 227.352 0.381 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000306113861 643301949 /nfs/dbraw/zinc/30/19/49/643301949.db2.gz XRBNYSRTUXTHNK-GFCCVEGCSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@H](O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000082475104 643319063 /nfs/dbraw/zinc/31/90/63/643319063.db2.gz HVXIVSDGDWQGAX-ONGXEEELSA-N 2 0 200.326 0.817 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCOC(C)(C)C1 ZINC000082560464 643342557 /nfs/dbraw/zinc/34/25/57/643342557.db2.gz VUPIZTUWDOKUFK-MNOVXSKESA-N 2 0 212.337 0.953 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)Cc1cnn(C)c1 ZINC000082560640 643343199 /nfs/dbraw/zinc/34/31/99/643343199.db2.gz WFBBVVZIVGBKMW-PWSUYJOCSA-N 2 0 222.336 0.707 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H](C)OC[C@@H]1C ZINC000082560420 643343285 /nfs/dbraw/zinc/34/32/85/643343285.db2.gz UJERVDQGPHLVFF-RHYQMDGZSA-N 2 0 212.337 0.951 20 0 BCADRP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001021044212 643393865 /nfs/dbraw/zinc/39/38/65/643393865.db2.gz KFNHZXJHDSJNLK-DCAQKATOSA-N 2 0 225.336 0.195 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000970482349 643442084 /nfs/dbraw/zinc/44/20/84/643442084.db2.gz UGUJUXRWJBIXGH-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000884265348 643457956 /nfs/dbraw/zinc/45/79/56/643457956.db2.gz GEBGLXJGJGTNOF-MNOVXSKESA-N 2 0 239.363 0.490 20 0 BCADRP COCCOCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000084216558 643649563 /nfs/dbraw/zinc/64/95/63/643649563.db2.gz VEMUDKRVZDCVCY-NWDGAFQWSA-N 2 0 230.352 0.757 20 0 BCADRP COCCN(C)CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084221653 643650189 /nfs/dbraw/zinc/65/01/89/643650189.db2.gz YBDKNCOPKSIPNA-VXGBXAGGSA-N 2 0 229.368 0.282 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1NCC[NH+]1CCCC1 ZINC000084218073 643650760 /nfs/dbraw/zinc/65/07/60/643650760.db2.gz YIEVQYXCWAHUKY-NEPJUHHUSA-N 2 0 211.353 0.799 20 0 BCADRP COCCOCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216553 643651271 /nfs/dbraw/zinc/65/12/71/643651271.db2.gz VEMUDKRVZDCVCY-VXGBXAGGSA-N 2 0 230.352 0.757 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NCC[NH+]1CCCC1 ZINC000084218075 643652039 /nfs/dbraw/zinc/65/20/39/643652039.db2.gz YIEVQYXCWAHUKY-NWDGAFQWSA-N 2 0 211.353 0.799 20 0 BCADRP NC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000050247638 643661104 /nfs/dbraw/zinc/66/11/04/643661104.db2.gz PXSZIZKDVKLLSP-LLVKDONJSA-N 2 0 233.315 0.566 20 0 BCADRP NC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000050247640 643661466 /nfs/dbraw/zinc/66/14/66/643661466.db2.gz PXSZIZKDVKLLSP-NSHDSACASA-N 2 0 233.315 0.566 20 0 BCADRP C[C@H](CCO)C[NH2+]CC1CC[NH+](C)CC1 ZINC000085126138 643685585 /nfs/dbraw/zinc/68/55/85/643685585.db2.gz FILLGSTYDBSSPR-LLVKDONJSA-N 2 0 214.353 0.936 20 0 BCADRP COC[C@H](O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000085869976 643823969 /nfs/dbraw/zinc/82/39/69/643823969.db2.gz QZGIRKQYTCKWCC-VQXHTEKXSA-N 2 0 216.325 0.195 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000086068432 643897901 /nfs/dbraw/zinc/89/79/01/643897901.db2.gz VRFJANZHTJHVPI-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP CN(CCC[NH2+]Cc1cnc[nH]1)CC[NH+](C)C ZINC000922274439 643944162 /nfs/dbraw/zinc/94/41/62/643944162.db2.gz FKHXIZQNWJZFOL-UHFFFAOYSA-N 2 0 239.367 0.383 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000922479689 644002678 /nfs/dbraw/zinc/00/26/78/644002678.db2.gz YKONWWUEUXVCJL-GARJFASQSA-N 2 0 242.367 0.328 20 0 BCADRP COC/C(C)=C\C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929312530 644067661 /nfs/dbraw/zinc/06/76/61/644067661.db2.gz KKWTXGFESPKSCY-MCDZVTHESA-N 2 0 210.321 0.730 20 0 BCADRP COC/C(C)=C/C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929312524 644067855 /nfs/dbraw/zinc/06/78/55/644067855.db2.gz KKWTXGFESPKSCY-CMSDODITSA-N 2 0 210.321 0.730 20 0 BCADRP CC[N@H+](CCC(N)=O)CC1CC[NH2+]CC1 ZINC000086703190 644166167 /nfs/dbraw/zinc/16/61/67/644166167.db2.gz DSERPLQSHKZBJS-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP C[NH+](C)C1(CNC(=O)NCC[NH+]2CCC2)CC1 ZINC000923003309 644225642 /nfs/dbraw/zinc/22/56/42/644225642.db2.gz VLNIICPEZZRMJW-UHFFFAOYSA-N 2 0 240.351 0.086 20 0 BCADRP CCOCC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000923283692 644308848 /nfs/dbraw/zinc/30/88/48/644308848.db2.gz XKACMPQSBHTVMB-CHWSQXEVSA-N 2 0 244.379 0.705 20 0 BCADRP CCOCC[C@H](O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000923279155 644310544 /nfs/dbraw/zinc/31/05/44/644310544.db2.gz GNOQKNNOHPDTHS-LBPRGKRZSA-N 2 0 230.352 0.458 20 0 BCADRP CCOCC[C@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000923278036 644310579 /nfs/dbraw/zinc/31/05/79/644310579.db2.gz WEGKXKGQUMWHIP-LBPRGKRZSA-N 2 0 230.352 0.445 20 0 BCADRP CCOC[C@@H](O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923279681 644311148 /nfs/dbraw/zinc/31/11/48/644311148.db2.gz BEDXCEQWMAFGTE-ZDUSSCGKSA-N 2 0 242.363 0.600 20 0 BCADRP [NH3+]CC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923278051 644311289 /nfs/dbraw/zinc/31/12/89/644311289.db2.gz WWLHCVFBKNIBFM-UHFFFAOYSA-N 3 0 211.353 0.799 20 0 BCADRP CC(C)OCC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000923281784 644313729 /nfs/dbraw/zinc/31/37/29/644313729.db2.gz PPMAFFYJDWXUHF-NWDGAFQWSA-N 2 0 230.352 0.443 20 0 BCADRP CSC[C@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000923282072 644314064 /nfs/dbraw/zinc/31/40/64/644314064.db2.gz PMZSGZMIUSGUPX-SNVBAGLBSA-N 2 0 218.366 0.381 20 0 BCADRP [NH3+]C[C@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280942 644315738 /nfs/dbraw/zinc/31/57/38/644315738.db2.gz MGJGZRGLUQCCNB-NEPJUHHUSA-N 3 0 239.363 0.036 20 0 BCADRP COC[C@@H](O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923282974 644319111 /nfs/dbraw/zinc/31/91/11/644319111.db2.gz VYZKZAOZLQENDC-LBPRGKRZSA-N 2 0 228.336 0.210 20 0 BCADRP C[C@@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H](C)[NH2+]1 ZINC000923287530 644320424 /nfs/dbraw/zinc/32/04/24/644320424.db2.gz WBZMRFDPUHWEQH-GRYCIOLGSA-N 2 0 239.363 0.047 20 0 BCADRP C[C@@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H](C)[NH2+]1 ZINC000923287535 644320821 /nfs/dbraw/zinc/32/08/21/644320821.db2.gz WBZMRFDPUHWEQH-UTUOFQBUSA-N 2 0 239.363 0.047 20 0 BCADRP C[NH2+]C[C@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000923288724 644322953 /nfs/dbraw/zinc/32/29/53/644322953.db2.gz BZAYCYNDUHIDIC-LLVKDONJSA-N 2 0 211.353 0.670 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923290193 644323308 /nfs/dbraw/zinc/32/33/08/644323308.db2.gz VLQBYJXREZPXOM-UPJWGTAASA-N 2 0 244.379 0.833 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923288382 644323870 /nfs/dbraw/zinc/32/38/70/644323870.db2.gz JJBRQVLXUPZPDT-GRYCIOLGSA-N 2 0 230.352 0.443 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](O)CCOC(C)C)C1 ZINC000923289186 644323955 /nfs/dbraw/zinc/32/39/55/644323955.db2.gz GPRYPHSLHSJVQL-STQMWFEESA-N 2 0 244.379 0.704 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](O)CSC)C1 ZINC000923289224 644324151 /nfs/dbraw/zinc/32/41/51/644324151.db2.gz HEXXVDRIOKCZHE-VHSXEESVSA-N 2 0 218.366 0.252 20 0 BCADRP CCC[NH+](CCC)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923300214 644326940 /nfs/dbraw/zinc/32/69/40/644326940.db2.gz ODJUXJBFPTXBEY-DCAQKATOSA-N 2 0 200.326 0.959 20 0 BCADRP CC1(C)C[NH2+]CCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923291190 644327378 /nfs/dbraw/zinc/32/73/78/644327378.db2.gz BMPJTAHREOHVIK-NSHDSACASA-N 2 0 239.363 0.049 20 0 BCADRP CCOCC[C@H](O)C[N@H+](C)CCC[NH3+] ZINC000923290675 644327494 /nfs/dbraw/zinc/32/74/94/644327494.db2.gz IZVHTPRNTNAVHU-JTQLQIEISA-N 2 0 204.314 0.055 20 0 BCADRP C[N@H+](CCC[NH3+])C[C@@H](O)COc1ccccc1 ZINC000923292620 644328826 /nfs/dbraw/zinc/32/88/26/644328826.db2.gz XDXAPLNGQBTCQP-GFCCVEGCSA-N 2 0 238.331 0.707 20 0 BCADRP CCOCC[C@H](O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000923294062 644330169 /nfs/dbraw/zinc/33/01/69/644330169.db2.gz FMOIUQAKQYOTRQ-BPCQOVAHSA-N 2 0 244.379 0.976 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000923291918 644330179 /nfs/dbraw/zinc/33/01/79/644330179.db2.gz UKNRWNCXSCQKRN-NEPJUHHUSA-N 2 0 230.352 0.315 20 0 BCADRP CCOC[C@@H](O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000923295728 644331296 /nfs/dbraw/zinc/33/12/96/644331296.db2.gz FSZJIUBEKFTBFZ-WDEREUQCSA-N 2 0 218.341 0.347 20 0 BCADRP C[C@@](C[NH3+])([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923295966 644332214 /nfs/dbraw/zinc/33/22/14/644332214.db2.gz LQSJXTVJQNJFRQ-NEPJUHHUSA-N 3 0 239.363 0.082 20 0 BCADRP CCOCC[C@@H](O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000923295716 644332717 /nfs/dbraw/zinc/33/27/17/644332717.db2.gz FPPWMLLGSNQLHG-NEPJUHHUSA-N 2 0 230.352 0.491 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923294591 644333237 /nfs/dbraw/zinc/33/32/37/644333237.db2.gz KEYQKDMGEJPASZ-RYUDHWBXSA-N 2 0 239.363 0.049 20 0 BCADRP CC(C)OCC[C@H](O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000923296502 644335468 /nfs/dbraw/zinc/33/54/68/644335468.db2.gz UALSAVJMLLSKHK-QWHCGFSZSA-N 2 0 244.379 0.879 20 0 BCADRP CO[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923307174 644337829 /nfs/dbraw/zinc/33/78/29/644337829.db2.gz XYWZTOAPBSPSQX-VXGBXAGGSA-N 2 0 240.347 0.476 20 0 BCADRP CSC[C@@H](O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000923298399 644337967 /nfs/dbraw/zinc/33/79/67/644337967.db2.gz BLZMNVNEQKRSTC-UWVGGRQHSA-N 2 0 220.382 0.673 20 0 BCADRP CO[C@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923307172 644338698 /nfs/dbraw/zinc/33/86/98/644338698.db2.gz XYWZTOAPBSPSQX-NWDGAFQWSA-N 2 0 240.347 0.476 20 0 BCADRP CC[N@H+](CC(C)C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923307871 644338914 /nfs/dbraw/zinc/33/89/14/644338914.db2.gz YJKALAJAKHOPSY-DCAQKATOSA-N 2 0 200.326 0.815 20 0 BCADRP C[N@H+](CCOCC1CC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923314462 644339573 /nfs/dbraw/zinc/33/95/73/644339573.db2.gz IDHHIXJYOOYXHF-SRVKXCTJSA-N 2 0 228.336 0.195 20 0 BCADRP CC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923304199 644339591 /nfs/dbraw/zinc/33/95/91/644339591.db2.gz OYEHITZWCPGLPY-NSHDSACASA-N 2 0 210.321 0.849 20 0 BCADRP COC[C@](C)(CCO)[NH2+]CCC[NH2+]C1CC1 ZINC000923318695 644342904 /nfs/dbraw/zinc/34/29/04/644342904.db2.gz NXKBZNSUBVSISS-LBPRGKRZSA-N 2 0 230.352 0.506 20 0 BCADRP NC(=O)C[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923318304 644343254 /nfs/dbraw/zinc/34/32/54/644343254.db2.gz ZAYTWCBUTVNZML-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C([C@H]1CC2(C[NH2+]C2)CO1)[NH+]1CCCCC1 ZINC000923318003 644343557 /nfs/dbraw/zinc/34/35/57/644343557.db2.gz HVPSKWXZMOOWKM-LLVKDONJSA-N 2 0 210.321 0.851 20 0 BCADRP C[C@@H](O)CC[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923317850 644343635 /nfs/dbraw/zinc/34/36/35/644343635.db2.gz WXUPQDCNZBDLFZ-GHMZBOCLSA-N 2 0 228.336 0.068 20 0 BCADRP OCC[C@@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923315627 644343895 /nfs/dbraw/zinc/34/38/95/644343895.db2.gz LBLDGKJHKPMFEC-RYUDHWBXSA-N 2 0 240.347 0.069 20 0 BCADRP CC(C)[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCS1 ZINC000923315653 644344597 /nfs/dbraw/zinc/34/45/97/644344597.db2.gz XJNAVEGKPDITHD-BJDJZHNGSA-N 2 0 244.404 0.910 20 0 BCADRP C[C@@H](O)CC[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923317851 644345023 /nfs/dbraw/zinc/34/50/23/644345023.db2.gz WXUPQDCNZBDLFZ-MNOVXSKESA-N 2 0 228.336 0.068 20 0 BCADRP C[C@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C ZINC000923317158 644345078 /nfs/dbraw/zinc/34/50/78/644345078.db2.gz VBSNDMQZPGRNBM-TUAOUCFPSA-N 2 0 224.348 0.953 20 0 BCADRP NC(=O)C1([NH2+]CCC[NH2+]C2CC2)CCCCC1 ZINC000923319095 644346296 /nfs/dbraw/zinc/34/62/96/644346296.db2.gz ULGNWZLAIJSFAC-UHFFFAOYSA-N 2 0 239.363 0.906 20 0 BCADRP C[N@H+](C[C@H]1CCCOC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923311656 644347211 /nfs/dbraw/zinc/34/72/11/644347211.db2.gz RPWPVZZZFDJIKD-RHYQMDGZSA-N 2 0 228.336 0.195 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000923330422 644349042 /nfs/dbraw/zinc/34/90/42/644349042.db2.gz FDGUIVMZLUIRRA-NEPJUHHUSA-N 2 0 230.352 0.709 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923330675 644349572 /nfs/dbraw/zinc/34/95/72/644349572.db2.gz CDHSFNSYCXVAIF-MNOVXSKESA-N 2 0 230.377 0.396 20 0 BCADRP C(C[NH2+]C1CC1)CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000923329806 644349819 /nfs/dbraw/zinc/34/98/19/644349819.db2.gz PBWXFAWPEOICFV-ZDUSSCGKSA-N 2 0 223.364 0.955 20 0 BCADRP CC(C)[NH2+]C1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923326823 644351873 /nfs/dbraw/zinc/35/18/73/644351873.db2.gz NMPHBQOOZDJJSJ-DRZSPHRISA-N 2 0 241.379 0.299 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923333088 644353778 /nfs/dbraw/zinc/35/37/78/644353778.db2.gz TXXSUZMVTSTHCC-UTUOFQBUSA-N 2 0 230.352 0.443 20 0 BCADRP CSC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000923333736 644354060 /nfs/dbraw/zinc/35/40/60/644354060.db2.gz RYBKWALXXIDWSI-QCNOEVLYSA-N 2 0 244.404 0.770 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000923332461 644355383 /nfs/dbraw/zinc/35/53/83/644355383.db2.gz QFRZHEICDZIKAY-GHMZBOCLSA-N 2 0 211.353 0.798 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923333014 644355497 /nfs/dbraw/zinc/35/54/97/644355497.db2.gz SRJXVXXRERTFPD-NSHDSACASA-N 2 0 244.404 0.786 20 0 BCADRP CCOCC[C@H](O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000923334675 644357052 /nfs/dbraw/zinc/35/70/52/644357052.db2.gz JCWDTYODXWZRSN-OLZOCXBDSA-N 2 0 244.379 0.848 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923331560 644359670 /nfs/dbraw/zinc/35/96/70/644359670.db2.gz MTIOAEDPHOQWRZ-NSHDSACASA-N 2 0 228.336 0.069 20 0 BCADRP CC(C)OC[C@@H](O)C[NH2+]CC1([NH3+])CCC1 ZINC000923331916 644360000 /nfs/dbraw/zinc/36/00/00/644360000.db2.gz JIAWJSMJDYZARF-JTQLQIEISA-N 2 0 216.325 0.243 20 0 BCADRP CCOCC[C@@H](O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000923349694 644363176 /nfs/dbraw/zinc/36/31/76/644363176.db2.gz VUTIUBDTGUCGDF-CHWSQXEVSA-N 2 0 244.379 0.835 20 0 BCADRP CC1([NH3+])CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923347104 644365734 /nfs/dbraw/zinc/36/57/34/644365734.db2.gz WGDCRNJRTDSEHZ-NSHDSACASA-N 3 0 239.363 0.178 20 0 BCADRP CC(C)Oc1ccccc1CNC(C[NH3+])C[NH3+] ZINC000923350934 644367384 /nfs/dbraw/zinc/36/73/84/644367384.db2.gz CLQLLRXZENVJHZ-UHFFFAOYSA-N 2 0 237.347 0.849 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1cc(-c2ccccc2)on1 ZINC000923354396 644368723 /nfs/dbraw/zinc/36/87/23/644368723.db2.gz MUSUTYFKUXWUOV-UHFFFAOYSA-N 2 0 246.314 0.717 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1cc(F)cc2cccnc21 ZINC000923353857 644368948 /nfs/dbraw/zinc/36/89/48/644368948.db2.gz CSWZYJMKHWLCPK-UHFFFAOYSA-N 2 0 248.305 0.750 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1ncc(-c2ccccc2)o1 ZINC000923352495 644370098 /nfs/dbraw/zinc/37/00/98/644370098.db2.gz WFYSSFNSDYUKIS-UHFFFAOYSA-N 2 0 246.314 0.717 20 0 BCADRP C[C@@H](NC(C[NH3+])C[NH3+])c1ccc(F)cc1F ZINC000923351828 644370493 /nfs/dbraw/zinc/37/04/93/644370493.db2.gz NQNDQXZZTJKLDN-SSDOTTSWSA-N 2 0 229.274 0.901 20 0 BCADRP [NH3+]CC(C[NH3+])NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000923356545 644371768 /nfs/dbraw/zinc/37/17/68/644371768.db2.gz MWLIFZMOBVFQGQ-ZIAGYGMSSA-N 2 0 249.358 0.782 20 0 BCADRP C[C@@H](NC(C[NH3+])C[NH3+])c1ncc(C(C)(C)C)o1 ZINC000923354859 644372638 /nfs/dbraw/zinc/37/26/38/644372638.db2.gz WXQRFQRJMPMVMF-MRVPVSSYSA-N 2 0 240.351 0.909 20 0 BCADRP CCc1cccc(CNC(C[NH3+])C[NH3+])c1 ZINC000923359144 644373453 /nfs/dbraw/zinc/37/34/53/644373453.db2.gz MRXMJUOAPYFIMO-UHFFFAOYSA-N 2 0 207.321 0.625 20 0 BCADRP C[N@@H+](Cc1cccnc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923372578 644375492 /nfs/dbraw/zinc/37/54/92/644375492.db2.gz ILJMYGBYHKGLPD-CYBMUJFWSA-N 2 0 247.342 0.892 20 0 BCADRP CC(C)(C)[C@@H](CN)[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923369105 644380537 /nfs/dbraw/zinc/38/05/37/644380537.db2.gz VXSNTQOERVERFT-GHMZBOCLSA-N 2 0 241.379 0.328 20 0 BCADRP CC(C)OC[C@H](O)CN[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000923370709 644381432 /nfs/dbraw/zinc/38/14/32/644381432.db2.gz QJVYUNSTWNMHNA-UMSGYPCISA-N 2 0 244.379 0.748 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1csc(C2CC2)n1 ZINC000923359736 644382902 /nfs/dbraw/zinc/38/29/02/644382902.db2.gz TUZJNPNNCSFAMB-UHFFFAOYSA-N 2 0 226.349 0.396 20 0 BCADRP CSC[C@H](O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000923360133 644383527 /nfs/dbraw/zinc/38/35/27/644383527.db2.gz WKPUHMWCAHZRSD-NXEZZACHSA-N 2 0 218.366 0.379 20 0 BCADRP CN(C[C@H]1CC2(C[NH2+]C2)CO1)C1(C[NH3+])CCC1 ZINC000923362890 644385825 /nfs/dbraw/zinc/38/58/25/644385825.db2.gz QFZCZWJRDKGMPT-LLVKDONJSA-N 2 0 239.363 0.178 20 0 BCADRP C[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000923362229 644386640 /nfs/dbraw/zinc/38/66/40/644386640.db2.gz MINUVCUJQCGFRU-SDDRHHMPSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@H]1CN(CCC[NH2+]C2CC2)[C@@H](C)C[NH2+]1 ZINC000923360918 644387134 /nfs/dbraw/zinc/38/71/34/644387134.db2.gz FXUXNGYBMVDRRX-QWRGUYRKSA-N 2 0 211.353 0.811 20 0 BCADRP CC(C)OCC[C@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC000923363292 644388918 /nfs/dbraw/zinc/38/89/18/644388918.db2.gz QRSJSHLHMMAINS-MCIGGMRASA-N 2 0 230.352 0.584 20 0 BCADRP C[C@H](O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000923375007 644389255 /nfs/dbraw/zinc/38/92/55/644389255.db2.gz FXDNKLFOLZDTQK-WCFLWFBJSA-N 2 0 242.363 0.586 20 0 BCADRP C[C@H]1CCCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923372899 644389272 /nfs/dbraw/zinc/38/92/72/644389272.db2.gz KJPNNPJLGGCBMM-BJDJZHNGSA-N 2 0 212.337 0.959 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923374817 644389402 /nfs/dbraw/zinc/38/94/02/644389402.db2.gz CSVRVCCZLCOCCM-OUAUKWLOSA-N 2 0 232.393 0.627 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923375672 644390205 /nfs/dbraw/zinc/39/02/05/644390205.db2.gz OYEKNWLFCRZLRS-AGIUHOORSA-N 2 0 244.379 0.691 20 0 BCADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCO)CC1 ZINC000923376420 644391688 /nfs/dbraw/zinc/39/16/88/644391688.db2.gz XJMATSSFTVMOMG-NWDGAFQWSA-N 2 0 228.336 0.197 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@H](O)CCOC(C)C ZINC000923378339 644391741 /nfs/dbraw/zinc/39/17/41/644391741.db2.gz HHKSBVQCTOWTLH-GFCCVEGCSA-N 2 0 232.368 0.704 20 0 BCADRP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)[C@H]1CCCOC1 ZINC000923380807 644394371 /nfs/dbraw/zinc/39/43/71/644394371.db2.gz YAONCVAOFLRCHK-DGORSVRFSA-N 2 0 228.336 0.242 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000923381644 644394847 /nfs/dbraw/zinc/39/48/47/644394847.db2.gz KGRJKHQAWVARLQ-IJLUTSLNSA-N 2 0 228.336 0.651 20 0 BCADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCO)C1 ZINC000923389925 644396891 /nfs/dbraw/zinc/39/68/91/644396891.db2.gz AGBXOXRNBVBGAS-IJLUTSLNSA-N 2 0 228.336 0.340 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923391889 644399588 /nfs/dbraw/zinc/39/95/88/644399588.db2.gz GHGPJMXBKYQURE-IJLUTSLNSA-N 3 0 239.363 0.177 20 0 BCADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000923393520 644401811 /nfs/dbraw/zinc/40/18/11/644401811.db2.gz SAKLEDXKJZRVIT-AGIUHOORSA-N 2 0 244.379 0.974 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1CCC[NH2+]C1CC1 ZINC000923393458 644402424 /nfs/dbraw/zinc/40/24/24/644402424.db2.gz QWLUHSJGCOTODA-MNOVXSKESA-N 2 0 211.353 0.940 20 0 BCADRP C[N@H+](C[C@@H]1CC1(C)C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923396262 644402643 /nfs/dbraw/zinc/40/26/43/644402643.db2.gz CCBCHKYFSHRSBV-NAKRPEOUSA-N 2 0 212.337 0.815 20 0 BCADRP C(C[NH2+]C1CC1)CN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000923416435 644408873 /nfs/dbraw/zinc/40/88/73/644408873.db2.gz NNFGEGAJQXWSAG-QWHCGFSZSA-N 2 0 223.364 0.955 20 0 BCADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923411390 644413711 /nfs/dbraw/zinc/41/37/11/644413711.db2.gz OMVYIVCOWAYJCX-FRRDWIJNSA-N 2 0 244.379 0.547 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923414041 644415625 /nfs/dbraw/zinc/41/56/25/644415625.db2.gz YYTWHWKJODGYAI-WOPDTQHZSA-N 2 0 230.352 0.301 20 0 BCADRP C[NH+](C)[C@H]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923421901 644416000 /nfs/dbraw/zinc/41/60/00/644416000.db2.gz PDBZMHXKVUFPGQ-RYUDHWBXSA-N 2 0 239.363 0.001 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923413908 644416692 /nfs/dbraw/zinc/41/66/92/644416692.db2.gz JWJJLOUAQSJYCH-SRVKXCTJSA-N 2 0 228.336 0.068 20 0 BCADRP C[NH+](C)[C@H]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923421899 644416877 /nfs/dbraw/zinc/41/68/77/644416877.db2.gz PDBZMHXKVUFPGQ-NWDGAFQWSA-N 2 0 239.363 0.001 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000923414039 644417327 /nfs/dbraw/zinc/41/73/27/644417327.db2.gz YYTWHWKJODGYAI-TUAOUCFPSA-N 2 0 230.352 0.301 20 0 BCADRP CCOCCOCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923414057 644417438 /nfs/dbraw/zinc/41/74/38/644417438.db2.gz ZIMVQCVORQBXIH-VXGBXAGGSA-N 2 0 230.352 0.566 20 0 BCADRP C[N@H+](CCCCCC[NH3+])[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923425652 644419846 /nfs/dbraw/zinc/41/98/46/644419846.db2.gz KHUZQQKMDAYNOS-SRVKXCTJSA-N 3 0 229.368 0.288 20 0 BCADRP C[NH2+]CCN(C[C@@H]1CC2(C[NH2+]C2)CO1)C(C)C ZINC000923433162 644426570 /nfs/dbraw/zinc/42/65/70/644426570.db2.gz OPALZVQBDJHKOC-LBPRGKRZSA-N 2 0 241.379 0.295 20 0 BCADRP C[C@@H](O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923438655 644432199 /nfs/dbraw/zinc/43/21/99/644432199.db2.gz BFLHGRPIBMTXOE-GHMZBOCLSA-N 2 0 228.336 0.197 20 0 BCADRP C[C@H]1CC[C@@H](CN2CC[NH2+]CC[NH2+]CC2)O1 ZINC000923460366 644437669 /nfs/dbraw/zinc/43/76/69/644437669.db2.gz MSFGPUGFOPXOOJ-RYUDHWBXSA-N 2 0 227.352 0.049 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923454300 644442927 /nfs/dbraw/zinc/44/29/27/644442927.db2.gz GBMVKPUNRSKZCC-MROQNXINSA-N 2 0 223.364 0.526 20 0 BCADRP CC(C)CC[C@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923461527 644446631 /nfs/dbraw/zinc/44/66/31/644446631.db2.gz YFLWZZYJGHNXGR-ZDUSSCGKSA-N 2 0 243.395 0.278 20 0 BCADRP CCc1nocc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460782 644446795 /nfs/dbraw/zinc/44/67/95/644446795.db2.gz VNFBJOCWKAAGHN-UHFFFAOYSA-N 2 0 238.335 0.232 20 0 BCADRP CCc1cnc(CN2CC[NH2+]CC[NH2+]CC2)o1 ZINC000923462058 644446823 /nfs/dbraw/zinc/44/68/23/644446823.db2.gz BZSTUAQHBMIYAZ-UHFFFAOYSA-N 2 0 238.335 0.232 20 0 BCADRP CC(F)(F)CCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923460781 644447580 /nfs/dbraw/zinc/44/75/80/644447580.db2.gz QUTJHRLQKNAYCI-UHFFFAOYSA-N 2 0 235.322 0.917 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000923481331 644458424 /nfs/dbraw/zinc/45/84/24/644458424.db2.gz PQLYADYITFHYMS-LLVKDONJSA-N 2 0 234.347 1.000 20 0 BCADRP Nc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)ccn1 ZINC000923480873 644458492 /nfs/dbraw/zinc/45/84/92/644458492.db2.gz LROOFNPBQUESFS-SNVBAGLBSA-N 2 0 220.320 0.835 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000923480994 644459426 /nfs/dbraw/zinc/45/94/26/644459426.db2.gz NJHVRIGCIJBJKA-VXGBXAGGSA-N 3 0 211.353 0.657 20 0 BCADRP C[C@H]1CN(CC[N@@H+]2CC[C@@H](CC[NH3+])C2)CCO1 ZINC000923482386 644460382 /nfs/dbraw/zinc/46/03/82/644460382.db2.gz ZJCCWTSYYFRCMN-QWHCGFSZSA-N 2 0 241.379 0.378 20 0 BCADRP CCCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923485154 644461713 /nfs/dbraw/zinc/46/17/13/644461713.db2.gz PIEXMPDSNJDYDG-MNOVXSKESA-N 2 0 228.336 0.999 20 0 BCADRP CCCCCNC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923484808 644462252 /nfs/dbraw/zinc/46/22/52/644462252.db2.gz NLOJGAJCCOOHPZ-LBPRGKRZSA-N 2 0 241.379 0.964 20 0 BCADRP CCOC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495950 644462307 /nfs/dbraw/zinc/46/23/07/644462307.db2.gz FJNZCJFLGIMDDU-GARJFASQSA-N 2 0 228.336 0.855 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000923495494 644462321 /nfs/dbraw/zinc/46/23/21/644462321.db2.gz WHWDZLCVXLGYNU-UPJWGTAASA-N 3 0 225.380 0.903 20 0 BCADRP CCCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923485152 644463105 /nfs/dbraw/zinc/46/31/05/644463105.db2.gz PIEXMPDSNJDYDG-GHMZBOCLSA-N 2 0 228.336 0.999 20 0 BCADRP CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495948 644463302 /nfs/dbraw/zinc/46/33/02/644463302.db2.gz FJNZCJFLGIMDDU-DCAQKATOSA-N 2 0 228.336 0.855 20 0 BCADRP C[C@H]1C[N@H+](CCc2ccnn2C)CC[C@@H]1C[NH3+] ZINC000923489428 644465836 /nfs/dbraw/zinc/46/58/36/644465836.db2.gz JXFSYXWQSJSPKQ-NWDGAFQWSA-N 2 0 236.363 0.879 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923492864 644466968 /nfs/dbraw/zinc/46/69/68/644466968.db2.gz QKYNHINYOJWDOQ-XQQFMLRXSA-N 2 0 244.379 0.691 20 0 BCADRP C[C@@H]1C[N@H+](CCc2cncn2C)CC[C@H]1C[NH3+] ZINC000923491537 644467460 /nfs/dbraw/zinc/46/74/60/644467460.db2.gz SQUZYMMGRMRLDD-NEPJUHHUSA-N 2 0 236.363 0.879 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)CC[C@@H]1C[NH3+] ZINC000923491514 644468180 /nfs/dbraw/zinc/46/81/80/644468180.db2.gz SNVDKYVNHNARGU-UTUOFQBUSA-N 2 0 249.362 0.682 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492372 644468715 /nfs/dbraw/zinc/46/87/15/644468715.db2.gz NZICQUAHMANFHC-OUAUKWLOSA-N 2 0 232.393 0.627 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)CC[C@H]1C[NH3+] ZINC000923500421 644472729 /nfs/dbraw/zinc/47/27/29/644472729.db2.gz QEJADYRRPILGAG-YPMHNXCESA-N 2 0 249.358 0.802 20 0 BCADRP NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923505814 644475459 /nfs/dbraw/zinc/47/54/59/644475459.db2.gz COOZUTUNFKKMSQ-NSHDSACASA-N 2 0 239.363 0.573 20 0 BCADRP CSC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515377 644478993 /nfs/dbraw/zinc/47/89/93/644478993.db2.gz FEPCVXJATMOBHI-HBNTYKKESA-N 2 0 230.377 0.252 20 0 BCADRP CC(C)OC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515570 644480813 /nfs/dbraw/zinc/48/08/13/644480813.db2.gz HIXSFIIFNBQTNU-XQQFMLRXSA-N 2 0 242.363 0.314 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000087222353 644482591 /nfs/dbraw/zinc/48/25/91/644482591.db2.gz VPOASPLATHUADT-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000087222176 644482724 /nfs/dbraw/zinc/48/27/24/644482724.db2.gz UGWPXFVWADMRCK-ZJUUUORDSA-N 2 0 213.325 0.359 20 0 BCADRP [NH3+]CCC[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000923527145 644485082 /nfs/dbraw/zinc/48/50/82/644485082.db2.gz YWXYTCHZGAEGHR-JTQLQIEISA-N 2 0 227.308 0.156 20 0 BCADRP C([C@H]1C[NH2+]CCO1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534813 644487558 /nfs/dbraw/zinc/48/75/58/644487558.db2.gz XWVQLDBLSYOYBE-OLZOCXBDSA-N 2 0 239.363 0.193 20 0 BCADRP OC[C@@H]1CCCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000923531069 644487778 /nfs/dbraw/zinc/48/77/78/644487778.db2.gz ORFPBINDPORBMO-NEPJUHHUSA-N 2 0 212.337 0.833 20 0 BCADRP COC[C@H]1COCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000923558329 644498391 /nfs/dbraw/zinc/49/83/91/644498391.db2.gz QWRBEGCPAYJRBX-OLZOCXBDSA-N 2 0 242.363 0.723 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC000087766631 644500756 /nfs/dbraw/zinc/50/07/56/644500756.db2.gz UTYFGDGUQAMLQQ-NSHDSACASA-N 2 0 222.336 0.504 20 0 BCADRP COC[C@H]1COCC[N@@H+]1CCCCCC[NH3+] ZINC000923557689 644502333 /nfs/dbraw/zinc/50/23/33/644502333.db2.gz NGUILWRUJSSDHI-LBPRGKRZSA-N 2 0 230.352 0.853 20 0 BCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC000088133845 644511196 /nfs/dbraw/zinc/51/11/96/644511196.db2.gz FNHOJSOHWWZNEK-GFCCVEGCSA-N 2 0 239.363 0.573 20 0 BCADRP OC1(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000088430324 644519893 /nfs/dbraw/zinc/51/98/93/644519893.db2.gz RWWNFBPTROPWPP-RYUDHWBXSA-N 2 0 224.348 0.833 20 0 BCADRP Cn1ccc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091666530 644635128 /nfs/dbraw/zinc/63/51/28/644635128.db2.gz STDVDGJRLWAZEO-KGLIPLIRSA-N 2 0 249.358 0.978 20 0 BCADRP COC[C@@H](O)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516583 644691232 /nfs/dbraw/zinc/69/12/32/644691232.db2.gz NXMAWUIMMWOHSA-AGIUHOORSA-N 2 0 244.379 0.894 20 0 BCADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCOCCO ZINC000093514072 644693943 /nfs/dbraw/zinc/69/39/43/644693943.db2.gz VLRKYZKPGBKTLP-OLZOCXBDSA-N 2 0 244.379 0.896 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250459145 644759265 /nfs/dbraw/zinc/75/92/65/644759265.db2.gz KGMDMWMPEZVAGN-JHJVBQTASA-N 2 0 242.363 0.458 20 0 BCADRP [NH3+]CC[C@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000250897300 644785406 /nfs/dbraw/zinc/78/54/06/644785406.db2.gz AEMGIWIKYPJNER-ZJUUUORDSA-N 2 0 212.293 0.363 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251077207 644791120 /nfs/dbraw/zinc/79/11/20/644791120.db2.gz GQBHOHPUYSKNJL-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP OC[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251460642 644804149 /nfs/dbraw/zinc/80/41/49/644804149.db2.gz UQSBAUOFSIBDTN-NEPJUHHUSA-N 2 0 212.337 0.833 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]([NH3+])CC1CC1 ZINC000304319138 644890408 /nfs/dbraw/zinc/89/04/08/644890408.db2.gz FJUDOZLTSLURBV-MWLCHTKSSA-N 2 0 227.352 0.570 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000304334585 644893495 /nfs/dbraw/zinc/89/34/95/644893495.db2.gz ICSFPLKSXOYREI-QWRGUYRKSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000304369936 644899241 /nfs/dbraw/zinc/89/92/41/644899241.db2.gz OFLFDHRLNOGPHW-LLVKDONJSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCOC3=O)C[C@@H]21 ZINC000252841271 644914043 /nfs/dbraw/zinc/91/40/43/644914043.db2.gz BYXUVDIVVTWQJG-YTWAJWBKSA-N 2 0 224.304 0.361 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)[NH+](C)C ZINC000253160398 644940679 /nfs/dbraw/zinc/94/06/79/644940679.db2.gz STMIXPKVEISLAE-OUAUKWLOSA-N 2 0 227.352 0.441 20 0 BCADRP [NH3+]CCCCCCC(=O)NC[C@H]([NH3+])C1CC1 ZINC000834408567 645141906 /nfs/dbraw/zinc/14/19/06/645141906.db2.gz RMXXGZYANRLDJJ-NSHDSACASA-N 2 0 227.352 0.749 20 0 BCADRP CCCCCC[N@H+](C)CC(=O)N[C@H](C)C[NH3+] ZINC000834521778 645142828 /nfs/dbraw/zinc/14/28/28/645142828.db2.gz SQVCFGHUPQDBQJ-LLVKDONJSA-N 2 0 229.368 0.962 20 0 BCADRP [NH3+][C@@H](CC(=O)NCCC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000834848714 645149002 /nfs/dbraw/zinc/14/90/02/645149002.db2.gz HBXNBNKVVOQPJT-RYUDHWBXSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CCCCC[NH3+] ZINC000841856270 645231370 /nfs/dbraw/zinc/23/13/70/645231370.db2.gz MIJBINIGEAWRPP-SNVBAGLBSA-N 2 0 229.368 0.995 20 0 BCADRP CC[NH2+]CC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000844188474 645315916 /nfs/dbraw/zinc/31/59/16/645315916.db2.gz UMSGIQHJFLRHTQ-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000844187011 645317304 /nfs/dbraw/zinc/31/73/04/645317304.db2.gz BEZPWUWLZMVXOA-YPMHNXCESA-N 2 0 239.363 0.444 20 0 BCADRP O=C1CCC2=C(CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)N1 ZINC000852753511 645488938 /nfs/dbraw/zinc/48/89/38/645488938.db2.gz CMOIALHNYDZNSG-LLVKDONJSA-N 2 0 249.358 0.856 20 0 BCADRP C[N@@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925488300 645508840 /nfs/dbraw/zinc/50/88/40/645508840.db2.gz RHBZHZULNJFUPY-GHMZBOCLSA-N 2 0 209.337 0.565 20 0 BCADRP C[C@H](CN[C@H]1CC[NH2+]C12CCC2)[NH+](C)C ZINC000925490135 645535541 /nfs/dbraw/zinc/53/55/41/645535541.db2.gz AUDMHUDFXKDRBA-MNOVXSKESA-N 2 0 211.353 0.811 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000928429759 645734738 /nfs/dbraw/zinc/73/47/38/645734738.db2.gz RVTLXEODLYPVEC-KXUCPTDWSA-N 2 0 213.325 0.145 20 0 BCADRP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000928428231 645739840 /nfs/dbraw/zinc/73/98/40/645739840.db2.gz VUVVBODZGLHZGS-JQWIXIFHSA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1C)[NH+](C)C ZINC000928425113 645742753 /nfs/dbraw/zinc/74/27/53/645742753.db2.gz HBSOCWRSQABMFL-DCAQKATOSA-N 2 0 227.352 0.535 20 0 BCADRP C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC000928427397 645743375 /nfs/dbraw/zinc/74/33/75/645743375.db2.gz JYPJTXNQMRDZSE-QWRGUYRKSA-N 2 0 237.347 0.291 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1C)[NH+](C)C ZINC000928436437 645757691 /nfs/dbraw/zinc/75/76/91/645757691.db2.gz GCJIPUCYEWADAZ-SDDRHHMPSA-N 2 0 241.379 0.781 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]([NH3+])C1CCC1)C2 ZINC000877372940 645793110 /nfs/dbraw/zinc/79/31/10/645793110.db2.gz KVFCMZCFZGYFCM-GMXVVIOVSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@@H](CN[C@H]1C[NH2+]CCOC1)C[NH+]1CCCC1 ZINC000925482572 645869095 /nfs/dbraw/zinc/86/90/95/645869095.db2.gz VXFCHENOAVGFCB-STQMWFEESA-N 2 0 241.379 0.296 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)CC[C@H]1[NH3+] ZINC000884270017 645871877 /nfs/dbraw/zinc/87/18/77/645871877.db2.gz DVSBOQARJZHLES-IJLUTSLNSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884269979 645871950 /nfs/dbraw/zinc/87/19/50/645871950.db2.gz DFVBHNCCPRAFHR-OUAUKWLOSA-N 2 0 239.363 0.346 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C)C[NH3+] ZINC000884269585 645871996 /nfs/dbraw/zinc/87/19/96/645871996.db2.gz RBYZOPOPPHTNSS-IUCAKERBSA-N 2 0 201.314 0.084 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884271581 645872953 /nfs/dbraw/zinc/87/29/53/645872953.db2.gz HDBWQMWTVUTTBL-LSJOCFKGSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884271744 645873030 /nfs/dbraw/zinc/87/30/30/645873030.db2.gz JXOPJEQKLKFCGY-AXFHLTTASA-N 2 0 239.363 0.441 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@H]([NH3+])CC2CC2)[C@H]1C ZINC000884271636 645873171 /nfs/dbraw/zinc/87/31/71/645873171.db2.gz IBNOMPCSEREVPX-ATZCPNFKSA-N 2 0 225.336 0.323 20 0 BCADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)CO)CC1 ZINC000930143788 645916176 /nfs/dbraw/zinc/91/61/76/645916176.db2.gz AEVMKNDCSPUFOR-ZDUSSCGKSA-N 2 0 244.379 0.393 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[NH2+]CC1 ZINC000929065196 645931022 /nfs/dbraw/zinc/93/10/22/645931022.db2.gz QGACCOXQXCICAE-GHMZBOCLSA-N 2 0 240.351 0.180 20 0 BCADRP C[C@H](O)[C@@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000929327670 646081610 /nfs/dbraw/zinc/08/16/10/646081610.db2.gz KYZNJQPRMCXNHJ-AAEUAGOBSA-N 2 0 244.379 0.392 20 0 BCADRP C[C@@H](O)[C@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000929327671 646082978 /nfs/dbraw/zinc/08/29/78/646082978.db2.gz KYZNJQPRMCXNHJ-DGCLKSJQSA-N 2 0 244.379 0.392 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@H]1COC[C@H]1C ZINC000924653217 646085341 /nfs/dbraw/zinc/08/53/41/646085341.db2.gz HTXKVYOOYYFCHC-NEPJUHHUSA-N 2 0 230.352 0.579 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)C(C)(C)CO ZINC000924657952 646086422 /nfs/dbraw/zinc/08/64/22/646086422.db2.gz XPGZGBFWQVGVAL-LBPRGKRZSA-N 2 0 246.395 0.951 20 0 BCADRP C[N@@H+]1CCC[C@@H](CN[C@@H]2C(=O)NCC2(C)C)C1 ZINC000925011569 646156837 /nfs/dbraw/zinc/15/68/37/646156837.db2.gz QVJNIKYTHGLEIO-WDEREUQCSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@H](CO)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000929638031 646215624 /nfs/dbraw/zinc/21/56/24/646215624.db2.gz UHTKDCVYXBFSIX-WDEREUQCSA-N 2 0 200.326 0.641 20 0 BCADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)C2(O)CCC2)C1 ZINC000929639544 646215941 /nfs/dbraw/zinc/21/59/41/646215941.db2.gz POBUJALVSDZHBL-RYUDHWBXSA-N 2 0 242.363 0.146 20 0 BCADRP CC[C@H](CO)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000929638027 646216144 /nfs/dbraw/zinc/21/61/44/646216144.db2.gz UHTKDCVYXBFSIX-GHMZBOCLSA-N 2 0 200.326 0.641 20 0 BCADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)C2(O)CCC2)C1 ZINC000929639546 646216177 /nfs/dbraw/zinc/21/61/77/646216177.db2.gz POBUJALVSDZHBL-VXGBXAGGSA-N 2 0 242.363 0.146 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000929637702 646217159 /nfs/dbraw/zinc/21/71/59/646217159.db2.gz MZLKBSNEGIFNSN-NSHDSACASA-N 2 0 230.352 0.531 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C[C@@H](O)CO)C[C@@H]1C ZINC000929779147 646305664 /nfs/dbraw/zinc/30/56/64/646305664.db2.gz DUYZYUMDCAWYAI-QJPTWQEYSA-N 2 0 230.352 0.144 20 0 BCADRP CC(C)[NH+](CCN[C@@H]1C[NH2+]CCOC1)C(C)C ZINC000925509903 646308571 /nfs/dbraw/zinc/30/85/71/646308571.db2.gz PSPKHBAAMNXXMV-CYBMUJFWSA-N 2 0 243.395 0.683 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC000925512121 646310435 /nfs/dbraw/zinc/31/04/35/646310435.db2.gz ZRQQQASWJLPVOF-UWVGGRQHSA-N 2 0 248.392 0.527 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)N[C@H]1C[NH2+]CCOC1 ZINC000925535980 646322578 /nfs/dbraw/zinc/32/25/78/646322578.db2.gz BGMIHEUUWYRKNM-OLZOCXBDSA-N 2 0 241.379 0.439 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925540718 646322958 /nfs/dbraw/zinc/32/29/58/646322958.db2.gz FENDNIBZFJKWTD-JHJVBQTASA-N 2 0 241.379 0.437 20 0 BCADRP COCC[N@H+](C)CCCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925543983 646323531 /nfs/dbraw/zinc/32/35/31/646323531.db2.gz PAIBTRIJKIWXJI-CHWSQXEVSA-N 2 0 243.395 0.685 20 0 BCADRP C1C[N@@H+]2CCCC[C@H]2[C@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925553551 646331380 /nfs/dbraw/zinc/33/13/80/646331380.db2.gz QQEUUUMSZQXQDS-AVGNSLFASA-N 2 0 239.363 0.191 20 0 BCADRP C[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925565738 646331610 /nfs/dbraw/zinc/33/16/10/646331610.db2.gz XKHSXDNVUZCYFI-WDEREUQCSA-N 2 0 211.353 0.811 20 0 BCADRP CCn1cnnc1CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925575104 646342019 /nfs/dbraw/zinc/34/20/19/646342019.db2.gz UXVBEIMCINECDN-WDEREUQCSA-N 2 0 249.362 0.700 20 0 BCADRP CN(C)C(=O)CCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925584878 646346691 /nfs/dbraw/zinc/34/66/91/646346691.db2.gz FDFMXOWYDKSYTR-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@H](CN[C@H]1C[NH2+]CCOC1)[NH+]1CCCC1 ZINC000925607331 646357041 /nfs/dbraw/zinc/35/70/41/646357041.db2.gz VIGKOEXOBIWJTD-QWHCGFSZSA-N 2 0 241.379 0.439 20 0 BCADRP COC[C@H](CCO)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925610934 646360952 /nfs/dbraw/zinc/36/09/52/646360952.db2.gz IYAGVFAUNLWZIE-SRVKXCTJSA-N 2 0 244.379 0.879 20 0 BCADRP OCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925613608 646362809 /nfs/dbraw/zinc/36/28/09/646362809.db2.gz ZUUQLHDECIOAJN-RYUDHWBXSA-N 2 0 212.337 0.737 20 0 BCADRP C[C@H](CN[C@H]1C[NH2+]CCOC1)[NH+]1CCCCC1 ZINC000925613870 646363062 /nfs/dbraw/zinc/36/30/62/646363062.db2.gz UFXXNAYYLHYWOQ-OLZOCXBDSA-N 2 0 241.379 0.439 20 0 BCADRP CC1(C)[C@H]([NH2+]CCOCCO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925612715 646363531 /nfs/dbraw/zinc/36/35/31/646363531.db2.gz UCLWCKDNIDKLDC-GRYCIOLGSA-N 2 0 242.363 0.362 20 0 BCADRP CC(C)[C@@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925622847 646369223 /nfs/dbraw/zinc/36/92/23/646369223.db2.gz NHVIDTQAYBIAKH-OUAUKWLOSA-N 2 0 212.337 0.863 20 0 BCADRP C[NH+]1CCC(O)(CN[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925623819 646370373 /nfs/dbraw/zinc/37/03/73/646370373.db2.gz SYJSJHFJVQRMPY-LLVKDONJSA-N 2 0 241.379 0.173 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCCCO ZINC000925652667 646392694 /nfs/dbraw/zinc/39/26/94/646392694.db2.gz HRPYWZAXDVZXIZ-JTQLQIEISA-N 2 0 200.326 0.879 20 0 BCADRP C[N@H+]1CC=C(CN[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925634385 646378709 /nfs/dbraw/zinc/37/87/09/646378709.db2.gz HVWMCOZWJDQYAY-LBPRGKRZSA-N 2 0 223.364 0.978 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000925650592 646390045 /nfs/dbraw/zinc/39/00/45/646390045.db2.gz WUVIIROGZZXNFM-MXWKQRLJSA-N 2 0 212.337 0.878 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000925650591 646390607 /nfs/dbraw/zinc/39/06/07/646390607.db2.gz WUVIIROGZZXNFM-DCAQKATOSA-N 2 0 212.337 0.878 20 0 BCADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C(=O)N(C)C ZINC000925656583 646393774 /nfs/dbraw/zinc/39/37/74/646393774.db2.gz FLFAZGFDYZMEGD-GARJFASQSA-N 2 0 241.379 0.959 20 0 BCADRP COCC[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925655676 646394850 /nfs/dbraw/zinc/39/48/50/646394850.db2.gz UOLRNOMQJMWLTJ-IJLUTSLNSA-N 2 0 244.379 0.879 20 0 BCADRP C[C@@H](C[NH+](C)C)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925670862 646400895 /nfs/dbraw/zinc/40/08/95/646400895.db2.gz AFFVAOMRPGSFTH-DCAQKATOSA-N 2 0 211.353 0.796 20 0 BCADRP NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925685363 646411031 /nfs/dbraw/zinc/41/10/31/646411031.db2.gz LMYUNGXTSFXOJI-PPPRAXEDSA-N 2 0 249.358 0.226 20 0 BCADRP C1CCC2(C1)[NH2+]CC[C@H]2N[C@@H]1CC[NH2+]C1 ZINC000925690366 646411472 /nfs/dbraw/zinc/41/14/72/646411472.db2.gz JFOSFSLJGINEET-GHMZBOCLSA-N 2 0 209.337 0.613 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NCC[NH+]1CCC(O)CC1 ZINC000925688367 646414408 /nfs/dbraw/zinc/41/44/08/646414408.db2.gz OQNLWAHCLWZUHV-LBPRGKRZSA-N 2 0 241.379 0.173 20 0 BCADRP C1[NH2+]CC1N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925689540 646415807 /nfs/dbraw/zinc/41/58/07/646415807.db2.gz BMLBMBBCZYFPAZ-CHWSQXEVSA-N 2 0 223.364 0.716 20 0 BCADRP [NH3+]C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925697054 646421257 /nfs/dbraw/zinc/42/12/57/646421257.db2.gz DEZYJMTXBNCXJU-GHMZBOCLSA-N 2 0 209.337 0.598 20 0 BCADRP [NH3+]C[C@@H](N[C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925697056 646422181 /nfs/dbraw/zinc/42/21/81/646422181.db2.gz DEZYJMTXBNCXJU-MNOVXSKESA-N 2 0 209.337 0.598 20 0 BCADRP C[C@@H](C[NH3+])N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925699591 646423062 /nfs/dbraw/zinc/42/30/62/646423062.db2.gz KYRVFWZHGLMNIB-VLEAKVRGSA-N 2 0 211.353 0.700 20 0 BCADRP C1=C(CN[C@@H]2CC[NH2+]C23CCC3)CC[NH2+]C1 ZINC000925698987 646423244 /nfs/dbraw/zinc/42/32/44/646423244.db2.gz MIVCDBFAONRBDC-GFCCVEGCSA-N 2 0 221.348 0.780 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000925700312 646423366 /nfs/dbraw/zinc/42/33/66/646423366.db2.gz PGGYVPHIBDKPCF-MXWKQRLJSA-N 2 0 211.353 0.986 20 0 BCADRP [NH3+][C@@H](C[NH2+]C1[C@@H]2CC[C@H]1CC([NH3+])C2)C1CC1 ZINC000925699456 646423901 /nfs/dbraw/zinc/42/39/01/646423901.db2.gz OXHBDIYNMHCFSD-SZQBSXBZSA-N 3 0 223.364 0.829 20 0 BCADRP C[C@H]([NH3+])[C@@H](NCC1C[NH2+]C1)c1ccccc1 ZINC000925700595 646424505 /nfs/dbraw/zinc/42/45/05/646424505.db2.gz VQZYKXMWBNDUKJ-GXFFZTMASA-N 2 0 219.332 0.884 20 0 BCADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1)[NH2+]2 ZINC000925702009 646424681 /nfs/dbraw/zinc/42/46/81/646424681.db2.gz JFLZKVJHSRBTOG-PYZHKEBXSA-N 2 0 237.347 0.369 20 0 BCADRP C[NH2+][C@H](C)CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925701222 646425123 /nfs/dbraw/zinc/42/51/23/646425123.db2.gz VWMMRNNMDYUSRR-WISYIIOYSA-N 2 0 225.380 0.961 20 0 BCADRP C[NH2+][C@@H](C)CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925701220 646425323 /nfs/dbraw/zinc/42/53/23/646425323.db2.gz VWMMRNNMDYUSRR-USZNOCQGSA-N 2 0 225.380 0.961 20 0 BCADRP C[C@@H]([NH3+])[C@@H](NCC1C[NH2+]C1)c1ccccc1 ZINC000925700597 646425766 /nfs/dbraw/zinc/42/57/66/646425766.db2.gz VQZYKXMWBNDUKJ-ZWNOBZJWSA-N 2 0 219.332 0.884 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925702640 646426291 /nfs/dbraw/zinc/42/62/91/646426291.db2.gz QAQFVQDOJFLUIF-KQBRZWLDSA-N 3 0 249.402 0.913 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925707673 646432281 /nfs/dbraw/zinc/43/22/81/646432281.db2.gz MHWBPJQCECHYEP-VWBGDHHKSA-N 3 0 235.375 0.700 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NCC1([NH3+])CCCC1 ZINC000925708893 646432397 /nfs/dbraw/zinc/43/23/97/646432397.db2.gz DSLFQILYQSCNFU-JTQLQIEISA-N 2 0 211.353 0.988 20 0 BCADRP [NH3+][C@@H]1C[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C12CCC2 ZINC000925707546 646432673 /nfs/dbraw/zinc/43/26/73/646432673.db2.gz LEIRDEQSVWENIB-UKKRHICBSA-N 2 0 227.327 0.546 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925709688 646435042 /nfs/dbraw/zinc/43/50/42/646435042.db2.gz PSSQIRDJGJWCPP-GRYCIOLGSA-N 3 0 223.364 0.988 20 0 BCADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1C[NH2+]CCCO1 ZINC000925712456 646435609 /nfs/dbraw/zinc/43/56/09/646435609.db2.gz VBZXBQBBZWEGPW-NEPJUHHUSA-N 2 0 239.363 0.239 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925712350 646435999 /nfs/dbraw/zinc/43/59/99/646435999.db2.gz OZULCCKSVCDDAE-CHWFTXMASA-N 2 0 226.320 0.260 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NCCOCCC[NH3+] ZINC000925719029 646438063 /nfs/dbraw/zinc/43/80/63/646438063.db2.gz PWGYQVRGVHXNSE-QWRGUYRKSA-N 2 0 215.341 0.082 20 0 BCADRP FC1(F)CC[NH2+]C[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925713956 646438849 /nfs/dbraw/zinc/43/88/49/646438849.db2.gz ZMDYMNNVBGLJRK-NXEZZACHSA-N 2 0 245.317 0.858 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000925716704 646439173 /nfs/dbraw/zinc/43/91/73/646439173.db2.gz GCQDALQSVSQGIZ-RYUDHWBXSA-N 3 0 243.395 0.847 20 0 BCADRP C[NH2+]CCOCCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925718366 646442415 /nfs/dbraw/zinc/44/24/15/646442415.db2.gz HLJGJWLKTUAWDG-LBPRGKRZSA-N 2 0 241.379 0.487 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1)[NH2+]2 ZINC000925718457 646442777 /nfs/dbraw/zinc/44/27/77/646442777.db2.gz JFLZKVJHSRBTOG-RFHDDPBLSA-N 2 0 237.347 0.369 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925719985 646443775 /nfs/dbraw/zinc/44/37/75/646443775.db2.gz CCTHBUCJGSAIHR-WOPDTQHZSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCC[N@@H+]1C ZINC000925719108 646444174 /nfs/dbraw/zinc/44/41/74/646444174.db2.gz OIMJNYSNROIZNQ-WOPDTQHZSA-N 2 0 211.353 0.811 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2COCCN2)C1 ZINC000925719740 646444887 /nfs/dbraw/zinc/44/48/87/646444887.db2.gz VLJHOHRYPSKUTE-IJLUTSLNSA-N 2 0 241.379 0.470 20 0 BCADRP C[C@H]([NH3+])[C@H](NC[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000925720537 646446788 /nfs/dbraw/zinc/44/67/88/646446788.db2.gz YPZHMJPVBHWXDH-YUTCNCBUSA-N 2 0 249.358 0.653 20 0 BCADRP CC1(C)CC[C@H](CN[C@H]2C[NH2+]CCOC2)[NH2+]C1 ZINC000925726848 646452121 /nfs/dbraw/zinc/45/21/21/646452121.db2.gz XEBNVIVBIXFMES-NEPJUHHUSA-N 2 0 241.379 0.343 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CCC(C)(C)[NH3+] ZINC000925738750 646463031 /nfs/dbraw/zinc/46/30/31/646463031.db2.gz XOHOPGZQFQHFIG-SNVBAGLBSA-N 3 0 217.357 0.457 20 0 BCADRP CCC1([NH3+])CCN([C@H]2C[NH2+]CCOC2)CC1 ZINC000925760203 646466209 /nfs/dbraw/zinc/46/62/09/646466209.db2.gz LKDATANHRNMYRQ-NSHDSACASA-N 2 0 227.352 0.178 20 0 BCADRP CCC1([NH3+])CCN([C@H](C)C2C[NH2+]C2)CC1 ZINC000925760878 646467096 /nfs/dbraw/zinc/46/70/96/646467096.db2.gz QYSWGJHWCAMXEC-SNVBAGLBSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000925769249 646471167 /nfs/dbraw/zinc/47/11/67/646471167.db2.gz ZZGFMQSELQAUNS-ZDEQEGDKSA-N 2 0 242.363 0.504 20 0 BCADRP Nc1cc[nH+]c(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000925768779 646471360 /nfs/dbraw/zinc/47/13/60/646471360.db2.gz XCPCDNLSNCUPPJ-XXINRUCKSA-N 2 0 244.342 0.750 20 0 BCADRP C[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000925769247 646471651 /nfs/dbraw/zinc/47/16/51/646471651.db2.gz ZZGFMQSELQAUNS-QNWHQSFQSA-N 2 0 242.363 0.504 20 0 BCADRP C[C@H](NC[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[NH2+]1 ZINC000925776840 646475139 /nfs/dbraw/zinc/47/51/39/646475139.db2.gz MVECIBJJPFCARE-GARJFASQSA-N 2 0 247.333 0.961 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925775601 646476237 /nfs/dbraw/zinc/47/62/37/646476237.db2.gz HSETXCCOLIKIGD-VWYCJHECSA-N 2 0 247.333 0.819 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000925782220 646478767 /nfs/dbraw/zinc/47/87/67/646478767.db2.gz ISHVVKJPPCSIPZ-WISYIIOYSA-N 2 0 211.353 0.667 20 0 BCADRP C[C@@H](CCCCO)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925783853 646479277 /nfs/dbraw/zinc/47/92/77/646479277.db2.gz LIICPTPAIQQJKG-OUAUKWLOSA-N 2 0 200.326 0.735 20 0 BCADRP C[C@H](NC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000925784539 646480893 /nfs/dbraw/zinc/48/08/93/646480893.db2.gz HAGSGRGPPAJXKZ-MROQNXINSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@@H](NC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000925784537 646481188 /nfs/dbraw/zinc/48/11/88/646481188.db2.gz HAGSGRGPPAJXKZ-FVCCEPFGSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CCC[NH2+][C@H]1C ZINC000925787452 646482781 /nfs/dbraw/zinc/48/27/81/646482781.db2.gz SNMVKFPIGNNZKL-RHYQMDGZSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925791569 646485313 /nfs/dbraw/zinc/48/53/13/646485313.db2.gz BDYHAIKRXROSEB-WISYIIOYSA-N 3 0 213.369 0.947 20 0 BCADRP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925791483 646485517 /nfs/dbraw/zinc/48/55/17/646485517.db2.gz QWZLUYVVQQBSHP-NMKXLXIOSA-N 2 0 237.391 0.914 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925797625 646486407 /nfs/dbraw/zinc/48/64/07/646486407.db2.gz URUMYBRFPJRFMK-UBRSESRLSA-N 3 0 249.402 0.818 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCN[C@@H]1C ZINC000925797024 646486567 /nfs/dbraw/zinc/48/65/67/646486567.db2.gz SVRCGQWZYAQNKD-FDYHWXHSSA-N 2 0 225.380 0.962 20 0 BCADRP [NH3+]C1CCC([NH2+]CCN2CCC([NH3+])CC2)CC1 ZINC000925816067 646491884 /nfs/dbraw/zinc/49/18/84/646491884.db2.gz DCJKBLFAFYVWMD-UHFFFAOYSA-N 3 0 240.395 0.269 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)[C@H](C)O1 ZINC000925816815 646492843 /nfs/dbraw/zinc/49/28/43/646492843.db2.gz JNLUAUFNRZGSEG-MDZLAQPJSA-N 2 0 241.379 0.565 20 0 BCADRP NC(=O)CC1CC([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000925825337 646497818 /nfs/dbraw/zinc/49/78/18/646497818.db2.gz ZDOGBUFMRVXGAM-KIDURHIOSA-N 2 0 239.363 0.890 20 0 BCADRP Cc1cc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])nn1C ZINC000925834274 646502417 /nfs/dbraw/zinc/50/24/17/646502417.db2.gz MEWHRCKZTYPZPR-DGCLKSJQSA-N 2 0 236.363 0.988 20 0 BCADRP Cc1cc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])nn1C ZINC000925834276 646503511 /nfs/dbraw/zinc/50/35/11/646503511.db2.gz MEWHRCKZTYPZPR-YPMHNXCESA-N 2 0 236.363 0.988 20 0 BCADRP C[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)C1C[NH2+]C1 ZINC000925839178 646506178 /nfs/dbraw/zinc/50/61/78/646506178.db2.gz GWJKLFPZEZWLSN-CYZMBNFOSA-N 2 0 223.364 0.716 20 0 BCADRP C(CCN[C@H]1CC[NH2+]C1)CCN1CC[NH2+]CC1 ZINC000925840703 646506828 /nfs/dbraw/zinc/50/68/28/646506828.db2.gz KMPGKCTZVJFTJK-ZDUSSCGKSA-N 2 0 240.395 0.013 20 0 BCADRP CCO[C@@H](CN[C@H]1CC[NH2+]C1(C)C)C[NH+](C)C ZINC000925838796 646506921 /nfs/dbraw/zinc/50/69/21/646506921.db2.gz OBKPUSLXDJCGJW-RYUDHWBXSA-N 2 0 243.395 0.683 20 0 BCADRP C(CO[C@H]1CCOC1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000925876166 646525804 /nfs/dbraw/zinc/52/58/04/646525804.db2.gz XYMDWJRFCXNSLY-RYUDHWBXSA-N 2 0 228.336 0.524 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCO[C@H]2CCOC2)C12CCC2 ZINC000925876161 646525815 /nfs/dbraw/zinc/52/58/15/646525815.db2.gz XXTVAJGNHQOCNC-QJPTWQEYSA-N 2 0 240.347 0.651 20 0 BCADRP C(CO[C@@H]1CCOC1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000925876167 646526622 /nfs/dbraw/zinc/52/66/22/646526622.db2.gz XYMDWJRFCXNSLY-VXGBXAGGSA-N 2 0 228.336 0.524 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000925877412 646527786 /nfs/dbraw/zinc/52/77/86/646527786.db2.gz IAFPBVUZHUGPEB-AAEUAGOBSA-N 2 0 242.363 0.899 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925879975 646529958 /nfs/dbraw/zinc/52/99/58/646529958.db2.gz NLDFQWBUFDSZHB-ISCIKXKRSA-N 3 0 235.375 0.700 20 0 BCADRP CN(C[C@@H]1CCC[N@@H+]1C)N1CC[C@H](CC[NH3+])C1 ZINC000926383133 646629506 /nfs/dbraw/zinc/62/95/06/646629506.db2.gz QYNBQWNUMIVGKF-STQMWFEESA-N 2 0 240.395 0.598 20 0 BCADRP CN(C[C@@H]1CCC[N@@H+]1C)N1CC[C@@H](CC[NH3+])C1 ZINC000926383129 646629698 /nfs/dbraw/zinc/62/96/98/646629698.db2.gz QYNBQWNUMIVGKF-OLZOCXBDSA-N 2 0 240.395 0.598 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CC[NH3+] ZINC000723882416 711543445 /nfs/dbraw/zinc/54/34/45/711543445.db2.gz HSYCFZLDWMDBRT-NXEZZACHSA-N 2 0 223.324 0.232 20 0 BCADRP C[N@H+](CCO[C@H]1CCOC1)C1CC[NH2+]CC1 ZINC000724916772 711627555 /nfs/dbraw/zinc/62/75/55/711627555.db2.gz WETGSTQTJCKQJY-LBPRGKRZSA-N 2 0 228.336 0.476 20 0 BCADRP [NH3+]CCCCCC[N@H+](CCO)C1CC1 ZINC000395398672 711694133 /nfs/dbraw/zinc/69/41/33/711694133.db2.gz RVCRIEJNCRBQKO-UHFFFAOYSA-N 2 0 200.326 0.962 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000379760511 711791509 /nfs/dbraw/zinc/79/15/09/711791509.db2.gz DFOONYUXQFBKIN-GFCCVEGCSA-N 2 0 239.363 0.714 20 0 BCADRP COC[C@@H](O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000070589917 711895893 /nfs/dbraw/zinc/89/58/93/711895893.db2.gz HZJWVKYYRNFYMD-PWSUYJOCSA-N 2 0 230.352 0.314 20 0 BCADRP CN1CCOC[C@@H]1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000700176446 711987332 /nfs/dbraw/zinc/98/73/32/711987332.db2.gz MRZIUFRGKRDDNV-TUAOUCFPSA-N 2 0 239.363 0.177 20 0 BCADRP CC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000700403924 711992349 /nfs/dbraw/zinc/99/23/49/711992349.db2.gz QJBPHKPCFFMCKJ-QWHCGFSZSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000701036629 712013187 /nfs/dbraw/zinc/01/31/87/712013187.db2.gz AROVGYHOXGQCCF-OLZOCXBDSA-N 2 0 242.363 0.722 20 0 BCADRP CCO[C@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000701782113 712028666 /nfs/dbraw/zinc/02/86/66/712028666.db2.gz IPTQQFCCTWFNNX-WOPDTQHZSA-N 2 0 212.337 0.953 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)C2CC([NH3+])C2)C1 ZINC000703500496 712077376 /nfs/dbraw/zinc/07/73/76/712077376.db2.gz CMCRPYCHMOTGMG-VQXHTEKXSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCN(C)C1)[NH2+]2 ZINC000709430411 712221844 /nfs/dbraw/zinc/22/18/44/712221844.db2.gz AJSODDFUPLXUCR-KSSYENDESA-N 2 0 223.364 0.809 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710871628 712260580 /nfs/dbraw/zinc/26/05/80/712260580.db2.gz UYDDPGNVGBUFLM-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000711311726 712293462 /nfs/dbraw/zinc/29/34/62/712293462.db2.gz SNSLGYSPGCKUEP-NSHDSACASA-N 2 0 239.363 0.442 20 0 BCADRP O[C@@H](C[NH2+]C[C@H]1C=CCC1)C[NH+]1CCCC1 ZINC000711653881 712314100 /nfs/dbraw/zinc/31/41/00/712314100.db2.gz FXAUGTNRHXKKHY-STQMWFEESA-N 2 0 224.348 0.999 20 0 BCADRP CCn1nnc(C)c1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479516 712334329 /nfs/dbraw/zinc/33/43/29/712334329.db2.gz QRPONVQCTNANSP-NSHDSACASA-N 2 0 237.351 0.777 20 0 BCADRP C[C@@H]1[NH2+]CCN(C[C@@H](O)C[NH+]2CCCC2)[C@H]1C ZINC000379455639 712385167 /nfs/dbraw/zinc/38/51/67/712385167.db2.gz OIYLVDFSIQIWSM-AVGNSLFASA-N 2 0 241.379 0.125 20 0 BCADRP C[N@@H+]1CCN(C(=O)CCC[NH3+])CCC1(C)C ZINC000712667717 712439819 /nfs/dbraw/zinc/43/98/19/712439819.db2.gz CJDGNNFLRJGFCB-UHFFFAOYSA-N 2 0 227.352 0.668 20 0 BCADRP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000714244295 712480201 /nfs/dbraw/zinc/48/02/01/712480201.db2.gz FVVOJEUTEDBZFF-DBIOUOCHSA-N 2 0 246.376 0.279 20 0 BCADRP CCn1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)nn1 ZINC000714425432 712486317 /nfs/dbraw/zinc/48/63/17/712486317.db2.gz CYEYKUATGPFZTO-NSHDSACASA-N 2 0 237.351 0.859 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715519286 712525262 /nfs/dbraw/zinc/52/52/62/712525262.db2.gz RRBFMOUVCIPXAS-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000037481418 712648355 /nfs/dbraw/zinc/64/83/55/712648355.db2.gz JRAXMJFRLKYXLN-GFCCVEGCSA-N 2 0 227.352 0.716 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CO)CC(F)F)C12CCC2 ZINC000717721963 712666994 /nfs/dbraw/zinc/66/69/94/712666994.db2.gz FIZUSDWHXLKDDD-DJLDLDEBSA-N 2 0 234.290 0.862 20 0 BCADRP O[C@H](C[NH2+]C[C@H]1CCC=CO1)C[NH+]1CCCC1 ZINC000380209138 712725614 /nfs/dbraw/zinc/72/56/14/712725614.db2.gz HBOSMZPGSYSKHA-CHWSQXEVSA-N 2 0 240.347 0.725 20 0 BCADRP CC[N@@H+](CC(=O)NC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719255228 712802255 /nfs/dbraw/zinc/80/22/55/712802255.db2.gz RIOIGIUNANIILC-YOGCLGLASA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720900786 712875393 /nfs/dbraw/zinc/87/53/93/712875393.db2.gz QTKCCNNRRIXYSY-OUAUKWLOSA-N 2 0 225.336 0.419 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000720907399 712876836 /nfs/dbraw/zinc/87/68/36/712876836.db2.gz LOSOIRDHKDFGMK-DDHJBXDOSA-N 2 0 212.337 0.878 20 0 BCADRP C([C@H]1CCOC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720932974 712879813 /nfs/dbraw/zinc/87/98/13/712879813.db2.gz YVPIOFHKKYITSK-GRYCIOLGSA-N 2 0 210.321 0.849 20 0 BCADRP C([C@@H]1CCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000381826952 710723867 /nfs/dbraw/zinc/72/38/67/710723867.db2.gz MOEQNSYQQYMVLK-WOPDTQHZSA-N 2 0 209.337 0.422 20 0 BCADRP CO[C@H]1COCC[C@@H]1[N@H+](C)CCC[NH3+] ZINC000381839917 710733021 /nfs/dbraw/zinc/73/30/21/710733021.db2.gz STZOPVOZNICFCO-UWVGGRQHSA-N 2 0 202.298 0.071 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1CC[NH3+] ZINC000723890359 710733429 /nfs/dbraw/zinc/73/34/29/710733429.db2.gz DMQXPZOSBCBEMT-GHMZBOCLSA-N 2 0 222.336 0.837 20 0 BCADRP [NH3+]CCOCC[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000383029931 710841744 /nfs/dbraw/zinc/84/17/44/710841744.db2.gz LGUCVTPCAMBIEN-TXEJJXNPSA-N 2 0 210.321 0.860 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1C[C@@H](O)C1(C)C ZINC000396712225 710907571 /nfs/dbraw/zinc/90/75/71/710907571.db2.gz RKZCMPARKWEFDQ-UKKRHICBSA-N 2 0 212.337 0.876 20 0 BCADRP COCC[N@H+](C)CCN[C@H]1CCC[NH2+][C@H]1C ZINC000396682999 710907786 /nfs/dbraw/zinc/90/77/86/710907786.db2.gz WTNSOKXTQHACBE-RYUDHWBXSA-N 2 0 229.368 0.295 20 0 BCADRP Cn1ncc(C[NH2+]CC2(C)CC[NH+](C)CC2)n1 ZINC000383791377 710935779 /nfs/dbraw/zinc/93/57/79/710935779.db2.gz RBLKRMNFOIGLCU-UHFFFAOYSA-N 2 0 237.351 0.637 20 0 BCADRP COCCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000133088385 710968293 /nfs/dbraw/zinc/96/82/93/710968293.db2.gz XIEUFCWTLFVGJJ-GHMZBOCLSA-N 2 0 200.326 0.940 20 0 BCADRP COC[C@@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000382549470 710973182 /nfs/dbraw/zinc/97/31/82/710973182.db2.gz FJXUYXBUDJPMPE-WVMKXHBISA-N 2 0 242.363 0.599 20 0 BCADRP CN(C[C@H]1CC[NH2+]C1)[C@H]1CCCCNC1=O ZINC000382754671 710974586 /nfs/dbraw/zinc/97/45/86/710974586.db2.gz MDIZQZCQHHCUSN-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP COCC(COC)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000384842186 710998915 /nfs/dbraw/zinc/99/89/15/710998915.db2.gz JCYKAPQCSVAHJL-SNVBAGLBSA-N 2 0 230.352 0.707 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000384910208 710999972 /nfs/dbraw/zinc/99/99/72/710999972.db2.gz DEEOMFLBUPLJHR-UWVGGRQHSA-N 2 0 216.325 0.317 20 0 BCADRP COCCOCCOCCN1C[C@@H]([NH3+])C[C@H]1C ZINC000385241366 711008408 /nfs/dbraw/zinc/00/84/08/711008408.db2.gz LQNFGDJZWQYXMU-NEPJUHHUSA-N 2 0 246.351 0.088 20 0 BCADRP C[C@H](N[C@H]1CC[N@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000386183632 711024414 /nfs/dbraw/zinc/02/44/14/711024414.db2.gz YMMVWWHRWSOOEM-SRVKXCTJSA-N 2 0 211.353 0.811 20 0 BCADRP C[C@H](N[C@@H]1CC[N@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000386183634 711024757 /nfs/dbraw/zinc/02/47/57/711024757.db2.gz YMMVWWHRWSOOEM-TUAOUCFPSA-N 2 0 211.353 0.811 20 0 BCADRP CC[NH2+]CC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000386751795 711035982 /nfs/dbraw/zinc/03/59/82/711035982.db2.gz GSCMIZXDAACUTM-UHFFFAOYSA-N 2 0 249.358 0.844 20 0 BCADRP C[C@@H]1CC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000389219417 711073664 /nfs/dbraw/zinc/07/36/64/711073664.db2.gz MQKFFABZYLSIKI-GHMZBOCLSA-N 2 0 200.326 0.953 20 0 BCADRP C[N@H+]1CC=C(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000392236598 711143073 /nfs/dbraw/zinc/14/30/73/711143073.db2.gz JUKJEDZQEOQXQZ-BTFPBAQTSA-N 2 0 247.386 0.834 20 0 BCADRP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CCOCC1 ZINC000392787908 711151451 /nfs/dbraw/zinc/15/14/51/711151451.db2.gz BIFGFYJJPZYMQH-MEBFFEOJSA-N 2 0 236.359 0.999 20 0 BCADRP C(C[NH+]1CCCC1)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000392848772 711153285 /nfs/dbraw/zinc/15/32/85/711153285.db2.gz BZIHOCVZQZJSQI-MEBFFEOJSA-N 2 0 235.375 0.668 20 0 BCADRP c1cn(CCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cn1 ZINC000392895710 711153471 /nfs/dbraw/zinc/15/34/71/711153471.db2.gz XFDFQPIWKLYIHX-QSLWVIQJSA-N 2 0 246.358 0.859 20 0 BCADRP C(C[NH+]1CCCC1)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000392848774 711153937 /nfs/dbraw/zinc/15/39/37/711153937.db2.gz BZIHOCVZQZJSQI-QSLWVIQJSA-N 2 0 235.375 0.668 20 0 BCADRP COCCOCCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000393929285 711179675 /nfs/dbraw/zinc/17/96/75/711179675.db2.gz GQPLDQPMGWYBQX-OBPIAQAESA-N 2 0 240.347 0.235 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@@H]1CCOC1 ZINC000398986524 711417123 /nfs/dbraw/zinc/41/71/23/711417123.db2.gz MAALHOWPAPKYKQ-WOPDTQHZSA-N 2 0 212.337 0.810 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@H]1CCOC1 ZINC000398986522 711417560 /nfs/dbraw/zinc/41/75/60/711417560.db2.gz MAALHOWPAPKYKQ-UTUOFQBUSA-N 2 0 212.337 0.810 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000381192266 710608314 /nfs/dbraw/zinc/60/83/14/710608314.db2.gz ZADIPIFMZFAKPD-BBBLOLIVSA-N 2 0 213.325 0.357 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000724563541 710742149 /nfs/dbraw/zinc/74/21/49/710742149.db2.gz NGMDFFFKEZVFBO-QNWHQSFQSA-N 2 0 240.347 0.332 20 0 BCADRP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000383035315 710841424 /nfs/dbraw/zinc/84/14/24/710841424.db2.gz FMKRPXVAQZEKKN-LZRJYULZSA-N 2 0 236.359 0.997 20 0 BCADRP Cn1cncc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000384261358 710844362 /nfs/dbraw/zinc/84/43/62/710844362.db2.gz ONBKBZLLAJRNCA-KOLCDFICSA-N 2 0 208.309 0.637 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000383635705 710984497 /nfs/dbraw/zinc/98/44/97/710984497.db2.gz YCXUBYRMPXAIMJ-VXGBXAGGSA-N 2 0 239.363 0.572 20 0 BCADRP COCC(COC)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000384950319 711001281 /nfs/dbraw/zinc/00/12/81/711001281.db2.gz LPQHNYMJJOHSAH-GFCCVEGCSA-N 2 0 232.368 0.953 20 0 BCADRP C[NH2+]CCC1CC[NH+](C(COC)COC)CC1 ZINC000385004723 711003142 /nfs/dbraw/zinc/00/31/42/711003142.db2.gz WIUPADFNZNPHOD-UHFFFAOYSA-N 2 0 244.379 0.969 20 0 BCADRP C[C@@H]1NCCC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397552788 711386278 /nfs/dbraw/zinc/38/62/78/711386278.db2.gz ZLRCCFWVEZTWRH-RYUDHWBXSA-N 2 0 241.379 0.173 20 0 BCADRP C[C@@H]1NCCC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397552787 711386422 /nfs/dbraw/zinc/38/64/22/711386422.db2.gz ZLRCCFWVEZTWRH-NWDGAFQWSA-N 2 0 241.379 0.173 20 0 BCADRP [NH3+]CCCOC1CC[NH+](CCOC2CC2)CC1 ZINC000711764252 711466449 /nfs/dbraw/zinc/46/64/49/711466449.db2.gz AKBOMZVHLYKYBR-UHFFFAOYSA-N 2 0 242.363 0.995 20 0 BCADRP CN1C[C@H](CC[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1=O ZINC000723548250 711516156 /nfs/dbraw/zinc/51/61/56/711516156.db2.gz SJAKMQCNUHHOIU-WOPDTQHZSA-N 2 0 239.363 0.572 20 0 BCADRP CCC[N@H+](CC)CCNC1=[NH+]CCCN1C ZINC000386366288 711529563 /nfs/dbraw/zinc/52/95/63/711529563.db2.gz APJQZSDXXMEATD-UHFFFAOYSA-N 2 0 226.368 0.999 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000723699453 711534529 /nfs/dbraw/zinc/53/45/29/711534529.db2.gz SCXASFZUQLIIEN-SFYZADRCSA-N 2 0 226.242 0.580 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000723699454 711534647 /nfs/dbraw/zinc/53/46/47/711534647.db2.gz SCXASFZUQLIIEN-YUMQZZPRSA-N 2 0 226.242 0.580 20 0 BCADRP CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723713672 711535656 /nfs/dbraw/zinc/53/56/56/711535656.db2.gz XGUVZBBMJRHKJE-GHMZBOCLSA-N 2 0 228.336 0.999 20 0 BCADRP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892289 711543814 /nfs/dbraw/zinc/54/38/14/711543814.db2.gz QYEHADDXAKWGNO-VXGBXAGGSA-N 2 0 241.379 0.675 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723899513 711544962 /nfs/dbraw/zinc/54/49/62/711544962.db2.gz CILYNSNUOFBPEU-OPRDCNLKSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@@H]1C[N@H+](CCN2CCOC2=O)C[C@H]1CC[NH3+] ZINC000723903228 711545159 /nfs/dbraw/zinc/54/51/59/711545159.db2.gz UZMSRFBDBZAXTB-GHMZBOCLSA-N 2 0 241.335 0.355 20 0 BCADRP Cc1cn(C)nc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000724001345 711554084 /nfs/dbraw/zinc/55/40/84/711554084.db2.gz LWDIILIHWFCFFO-LLVKDONJSA-N 2 0 222.336 0.899 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000133081986 711558693 /nfs/dbraw/zinc/55/86/93/711558693.db2.gz PCQJVSZRMPQSOD-OPRDCNLKSA-N 2 0 213.325 0.167 20 0 BCADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000724562482 711592441 /nfs/dbraw/zinc/59/24/41/711592441.db2.gz GYAKILAVYQDLAT-RNJOBUHISA-N 2 0 240.347 0.461 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000724562129 711592616 /nfs/dbraw/zinc/59/26/16/711592616.db2.gz FXZOGYNXHQNRFT-FPYNETTCSA-N 2 0 240.347 0.459 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724562564 711592632 /nfs/dbraw/zinc/59/26/32/711592632.db2.gz HJEZSAGBXAEUFO-NJMOYASZSA-N 2 0 240.347 0.602 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC[C@@H]1[NH3+] ZINC000724564915 711592860 /nfs/dbraw/zinc/59/28/60/711592860.db2.gz WLBXHMPYPIPPTJ-BNDIWNMDSA-N 2 0 240.347 0.459 20 0 BCADRP C[N@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)C1CC[NH2+]CC1 ZINC000724565590 711593163 /nfs/dbraw/zinc/59/31/63/711593163.db2.gz XWTNMCOKAPULRD-KGYLQXTDSA-N 2 0 240.347 0.474 20 0 BCADRP C[C@](O)(C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC1 ZINC000383342628 711594937 /nfs/dbraw/zinc/59/49/37/711594937.db2.gz SFIHKLVTJGNHHH-UUDBGTMTSA-N 2 0 236.359 0.733 20 0 BCADRP C[N@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)C1CC([NH3+])C1 ZINC000724588618 711595902 /nfs/dbraw/zinc/59/59/02/711595902.db2.gz BGSYVGZEQMPZOI-AMFGXWJMSA-N 2 0 226.320 0.212 20 0 BCADRP CC[NH+](CC)CCNC1=[NH+]CCCN1C ZINC000386624446 711596057 /nfs/dbraw/zinc/59/60/57/711596057.db2.gz YRZMJKOHEMJOEO-UHFFFAOYSA-N 2 0 212.341 0.609 20 0 BCADRP CO[C@@H]1CCOC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000724886646 711625428 /nfs/dbraw/zinc/62/54/28/711625428.db2.gz INHDUZOHPFUGMW-CHWSQXEVSA-N 2 0 242.363 0.722 20 0 BCADRP [NH3+]C[C@@H]1CCC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724915824 711627752 /nfs/dbraw/zinc/62/77/52/711627752.db2.gz RQDGQKOQJFOJLH-RYUDHWBXSA-N 2 0 228.336 0.463 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724923859 711629177 /nfs/dbraw/zinc/62/91/77/711629177.db2.gz FOUHIIOQPNCCAI-YNEHKIRRSA-N 2 0 242.363 0.851 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724923854 711629267 /nfs/dbraw/zinc/62/92/67/711629267.db2.gz FOUHIIOQPNCCAI-AVGNSLFASA-N 2 0 242.363 0.851 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724924586 711629428 /nfs/dbraw/zinc/62/94/28/711629428.db2.gz YGQCGHKTVVZWJG-STQMWFEESA-N 2 0 242.363 0.853 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724957231 711634218 /nfs/dbraw/zinc/63/42/18/711634218.db2.gz VITXSTSOVCRUPH-NWDGAFQWSA-N 2 0 228.336 0.463 20 0 BCADRP Cc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)nc(N)[nH+]1 ZINC000310776521 711676565 /nfs/dbraw/zinc/67/65/65/711676565.db2.gz AQUMTPPIBJMVPI-CYBMUJFWSA-N 2 0 247.346 0.899 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925718330 711714026 /nfs/dbraw/zinc/71/40/26/711714026.db2.gz KXXYQFLOUSYLQG-LNFKQOIKSA-N 2 0 209.337 0.596 20 0 BCADRP C([C@H]1CCC[NH2+]C1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335269884 711721759 /nfs/dbraw/zinc/72/17/59/711721759.db2.gz KQTMXPQLEASBCC-STQMWFEESA-N 2 0 223.364 0.814 20 0 BCADRP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1=O ZINC000722355746 711745315 /nfs/dbraw/zinc/74/53/15/711745315.db2.gz GUAOCEQILQZCIK-TUAOUCFPSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCOC[C@@H](C)C1 ZINC000399283997 711746862 /nfs/dbraw/zinc/74/68/62/711746862.db2.gz VEVHMPKUFPNHPS-TUAOUCFPSA-N 2 0 212.337 0.810 20 0 BCADRP CC[C@@H](CN1CCOCC1)[NH2+]C1CC[NH2+]CC1 ZINC000925821447 711756344 /nfs/dbraw/zinc/75/63/44/711756344.db2.gz JGUSXGJHYDGQOO-LBPRGKRZSA-N 2 0 241.379 0.439 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000160065245 711805623 /nfs/dbraw/zinc/80/56/23/711805623.db2.gz OKSQREZFAICOET-LLVKDONJSA-N 2 0 225.336 0.183 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000151389698 711822692 /nfs/dbraw/zinc/82/26/92/711822692.db2.gz UNDHMOHKBMWLOW-MRVPVSSYSA-N 2 0 201.314 0.086 20 0 BCADRP CC(C)OC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158169988 711832100 /nfs/dbraw/zinc/83/21/00/711832100.db2.gz XBRAAYKMEQSXBP-UPJWGTAASA-N 2 0 244.379 0.845 20 0 BCADRP CCOC[C@H](O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227736627 711832744 /nfs/dbraw/zinc/83/27/44/711832744.db2.gz GPMVTTRRCKMRML-VXGBXAGGSA-N 2 0 232.368 0.689 20 0 BCADRP C[N@@H+]1C[C@@H]2C[NH+](CCCCO)C[C@]2(C)C1 ZINC000702267983 711868805 /nfs/dbraw/zinc/86/88/05/711868805.db2.gz CVQNNKPBPWEWKN-NEPJUHHUSA-N 2 0 212.337 0.642 20 0 BCADRP COC[C@@H](O)CN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000069727135 711893599 /nfs/dbraw/zinc/89/35/99/711893599.db2.gz XQLUPKBPDXGXOD-OUAUKWLOSA-N 2 0 216.325 0.053 20 0 BCADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCC[NH+](C)C1 ZINC000705147705 711898890 /nfs/dbraw/zinc/89/88/90/711898890.db2.gz WDBWVZUBQFRCAJ-UPJWGTAASA-N 3 0 225.380 0.997 20 0 BCADRP CO[C@H]1C[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000721917931 711919642 /nfs/dbraw/zinc/91/96/42/711919642.db2.gz CLLOSTVPNDJUET-HUVAQWKNSA-N 2 0 210.321 0.563 20 0 BCADRP C(C[NH+]1CCCC1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000085283376 711932119 /nfs/dbraw/zinc/93/21/19/711932119.db2.gz DRIVYNMQEHYKGU-RYUDHWBXSA-N 2 0 209.337 0.233 20 0 BCADRP CC(C)[N@H+](C)CCNC1=[NH+]CCCCN1 ZINC000700191097 711987556 /nfs/dbraw/zinc/98/75/56/711987556.db2.gz JYVGVZXCRSHCRM-UHFFFAOYSA-N 2 0 212.341 0.656 20 0 BCADRP CNC(=O)CC[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000700236691 711988533 /nfs/dbraw/zinc/98/85/33/711988533.db2.gz GWYNSZYDYOPNAO-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP C[C@H](O)CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000700800014 712005636 /nfs/dbraw/zinc/00/56/36/712005636.db2.gz BSZZQUDCEXNKJN-XHNCKOQMSA-N 2 0 240.269 0.826 20 0 BCADRP C[C@H](O)CN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000700800003 712006072 /nfs/dbraw/zinc/00/60/72/712006072.db2.gz BSZZQUDCEXNKJN-CIUDSAMLSA-N 2 0 240.269 0.826 20 0 BCADRP CCN1CC[C@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000702055996 712037490 /nfs/dbraw/zinc/03/74/90/712037490.db2.gz QLISMQQBCKGGFN-GMXVVIOVSA-N 2 0 237.347 0.149 20 0 BCADRP CCOCCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702127456 712039669 /nfs/dbraw/zinc/03/96/69/712039669.db2.gz XFXBFOQEZVGIGN-NWDGAFQWSA-N 2 0 212.337 0.954 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1CCOC1)C2 ZINC000702112192 712039702 /nfs/dbraw/zinc/03/97/02/712039702.db2.gz ZJFOJFPAODNTSM-SDDRHHMPSA-N 2 0 210.321 0.564 20 0 BCADRP OC1CC(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000702444527 712053951 /nfs/dbraw/zinc/05/39/51/712053951.db2.gz XNPNTZATATVJDX-SRYCHGAOSA-N 2 0 236.359 0.733 20 0 BCADRP [NH3+][C@@H]1C[C@H]([NH2+]CCOCCF)C12CCC2 ZINC000702654687 712058417 /nfs/dbraw/zinc/05/84/17/712058417.db2.gz QBXAQOBNAYBNSL-ZJUUUORDSA-N 2 0 216.300 0.832 20 0 BCADRP C1C[C@@H]2C[C@@H](N[C@@H]3CNOC3)CC[N@@H+]2C1 ZINC000703308454 712072093 /nfs/dbraw/zinc/07/20/93/712072093.db2.gz CDOYFWYNQUASSM-HBNTYKKESA-N 2 0 211.309 0.106 20 0 BCADRP COC1CC(C[N@H+](C)CCOCC[NH3+])C1 ZINC000703405845 712074602 /nfs/dbraw/zinc/07/46/02/712074602.db2.gz SENRANIUWPJRPE-UHFFFAOYSA-N 2 0 216.325 0.319 20 0 BCADRP COC[C@H](C)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703595260 712080776 /nfs/dbraw/zinc/08/07/76/712080776.db2.gz WFHLDGFZSUFBQJ-GRYCIOLGSA-N 2 0 212.337 0.810 20 0 BCADRP CN1CCC[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1=O ZINC000704370883 712104869 /nfs/dbraw/zinc/10/48/69/712104869.db2.gz IPTZHGCMELBJCB-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP CCOC[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000705851072 712137744 /nfs/dbraw/zinc/13/77/44/712137744.db2.gz BEZSWZYKSZIZNI-AGIUHOORSA-N 2 0 242.363 0.851 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)C12CCC[NH+](CCC1)C2 ZINC000705891926 712139104 /nfs/dbraw/zinc/13/91/04/712139104.db2.gz IVTOQRSWIBPKRC-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@@H]1C ZINC000706763303 712154721 /nfs/dbraw/zinc/15/47/21/712154721.db2.gz PPQAJDYYXIMFND-WDEREUQCSA-N 2 0 200.326 0.782 20 0 BCADRP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708066684 712174205 /nfs/dbraw/zinc/17/42/05/712174205.db2.gz ULAVNPLSXFVPDJ-IJLUTSLNSA-N 2 0 241.379 0.770 20 0 BCADRP CN1CCC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1=O ZINC000707731071 712176949 /nfs/dbraw/zinc/17/69/49/712176949.db2.gz CBTXFXIHZFKATO-AXFHLTTASA-N 2 0 237.347 0.467 20 0 BCADRP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CC(C)(C)OC1(C)C ZINC000709695612 712215997 /nfs/dbraw/zinc/21/59/97/712215997.db2.gz GNRCNHFSSXZJLZ-GHMZBOCLSA-N 2 0 244.379 0.832 20 0 BCADRP COC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709779621 712217622 /nfs/dbraw/zinc/21/76/22/712217622.db2.gz VRZLXKMAEPKVPH-VXGBXAGGSA-N 2 0 228.336 0.069 20 0 BCADRP C[C@H]1CO[C@@H](CO)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000709508087 712223413 /nfs/dbraw/zinc/22/34/13/712223413.db2.gz IDQKTECSQIKMRS-WCQYABFASA-N 2 0 242.363 0.410 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CCCC1)C2 ZINC000709837591 712229442 /nfs/dbraw/zinc/22/94/42/712229442.db2.gz RKBDBWZETPUHDW-TUAOUCFPSA-N 2 0 237.347 0.420 20 0 BCADRP COC[C@@H](C[N@@H+]1CCC2(C1)CC[NH2+]CC2)OC ZINC000709890641 712230941 /nfs/dbraw/zinc/23/09/41/712230941.db2.gz RZPGRQKYIZQBBE-GFCCVEGCSA-N 2 0 242.363 0.723 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709996686 712238886 /nfs/dbraw/zinc/23/88/86/712238886.db2.gz OPAJTMLDZAFBRH-STQMWFEESA-N 2 0 242.363 0.459 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CC[C@H]([NH3+])CC1)[NH+](C)C ZINC000710838703 712258056 /nfs/dbraw/zinc/25/80/56/712258056.db2.gz LSWJDLNXASQXCD-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000710868821 712260201 /nfs/dbraw/zinc/26/02/01/712260201.db2.gz JMBLGEVCCCVLPR-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1COC[C@@H]1C ZINC000710904411 712261984 /nfs/dbraw/zinc/26/19/84/712261984.db2.gz AWCDGAXFLVVYPX-HBNTYKKESA-N 2 0 200.326 0.951 20 0 BCADRP C[NH+](C)CC1(O)CC[NH+](CC2(O)CCC2)CC1 ZINC000710588380 712263274 /nfs/dbraw/zinc/26/32/74/712263274.db2.gz LOGVIGOGPMKFDD-UHFFFAOYSA-N 2 0 242.363 0.290 20 0 BCADRP CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000922907360 712285262 /nfs/dbraw/zinc/28/52/62/712285262.db2.gz HPDIOLWQEWZAAX-QWRGUYRKSA-N 2 0 240.351 0.084 20 0 BCADRP CC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000922907345 712285663 /nfs/dbraw/zinc/28/56/63/712285663.db2.gz HPDIOLWQEWZAAX-GHMZBOCLSA-N 2 0 240.351 0.084 20 0 BCADRP C[NH+](C)CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711275737 712292446 /nfs/dbraw/zinc/29/24/46/712292446.db2.gz VEIVBFFWBYSABI-PWSUYJOCSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H](CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)[NH+](C)C ZINC000711291154 712293271 /nfs/dbraw/zinc/29/32/71/712293271.db2.gz BDJOPAUJBPNJOR-WZRBSPASSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]1C[NH2+]CC1(C)C)C1CC1 ZINC000711311940 712293556 /nfs/dbraw/zinc/29/35/56/712293556.db2.gz ULJSHXQWTKRWIN-NSHDSACASA-N 2 0 239.363 0.442 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000711310279 712293744 /nfs/dbraw/zinc/29/37/44/712293744.db2.gz JFARTENCRRMBLZ-NSHDSACASA-N 2 0 239.363 0.444 20 0 BCADRP O[C@H](CN1CC[C@H](CF)C1)C[NH+]1CCCC1 ZINC000711471362 712303471 /nfs/dbraw/zinc/30/34/71/712303471.db2.gz SQCOQDKGBQHSRX-NEPJUHHUSA-N 2 0 230.327 0.735 20 0 BCADRP C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)OC1CC1 ZINC000711750895 712323772 /nfs/dbraw/zinc/32/37/72/712323772.db2.gz BSDFGBNWKRSYCV-GFCCVEGCSA-N 2 0 210.321 0.851 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923479768 712334406 /nfs/dbraw/zinc/33/44/06/712334406.db2.gz SOIIPACRTSXBEU-NEPJUHHUSA-N 3 0 239.363 0.036 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923478675 712334596 /nfs/dbraw/zinc/33/45/96/712334596.db2.gz GCRMNAQOAYJMBN-GFCCVEGCSA-N 2 0 230.352 0.710 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923478840 712334725 /nfs/dbraw/zinc/33/47/25/712334725.db2.gz HYJCWSVWIWJQGP-NEPJUHHUSA-N 2 0 230.352 0.445 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712632407 712439058 /nfs/dbraw/zinc/43/90/58/712439058.db2.gz LPFGHJHTVOFIIO-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP C[N@@H+]1CCN(C(=O)CC[NH3+])CCC1(C)C ZINC000712672885 712440353 /nfs/dbraw/zinc/44/03/53/712440353.db2.gz YXUUQPVKMFZWIG-UHFFFAOYSA-N 2 0 213.325 0.278 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC[NH+](C)C ZINC000712987437 712450658 /nfs/dbraw/zinc/45/06/58/712450658.db2.gz CWDZKBQRJKKXLP-JTQLQIEISA-N 2 0 229.368 0.674 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CCC[NH2+]CC1 ZINC000713099777 712452702 /nfs/dbraw/zinc/45/27/02/712452702.db2.gz LJSVZOLGSVRELI-LLVKDONJSA-N 2 0 241.379 0.818 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000713227164 712455664 /nfs/dbraw/zinc/45/56/64/712455664.db2.gz UMNKBBYNROUINI-DCQANWLSSA-N 2 0 237.347 0.182 20 0 BCADRP C=C/C=C/CC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000713737843 712470791 /nfs/dbraw/zinc/47/07/91/712470791.db2.gz AJRNLDKNEMFLNW-SNAWJCMRSA-N 2 0 223.364 0.956 20 0 BCADRP C=C/C=C\CC[NH+]1CCC(O)(C[NH3+])CC1 ZINC000713761507 712471652 /nfs/dbraw/zinc/47/16/52/712471652.db2.gz XIGIHMJJHAWXLH-ARJAWSKDSA-N 2 0 210.321 0.904 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714244260 712480146 /nfs/dbraw/zinc/48/01/46/712480146.db2.gz DMCJNWVYFXCVMO-DCAQKATOSA-N 2 0 248.392 0.669 20 0 BCADRP CO[C@H]1C[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000714729416 712496740 /nfs/dbraw/zinc/49/67/40/712496740.db2.gz GJXSTCCYDKYBBZ-CLSQCYNNSA-N 2 0 236.359 0.997 20 0 BCADRP CO[C@H]1C[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000714729422 712496904 /nfs/dbraw/zinc/49/69/04/712496904.db2.gz GJXSTCCYDKYBBZ-YDQFZURESA-N 2 0 236.359 0.997 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000715010021 712504321 /nfs/dbraw/zinc/50/43/21/712504321.db2.gz JWJJLOUAQSJYCH-IJLUTSLNSA-N 2 0 228.336 0.068 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000715124875 712510913 /nfs/dbraw/zinc/51/09/13/712510913.db2.gz LWWUJSQNKLSDCP-IUCAKERBSA-N 2 0 247.289 0.037 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[NH+](C)C ZINC000715159652 712512897 /nfs/dbraw/zinc/51/28/97/712512897.db2.gz VAGRDJJFQXWGKI-VGMNWLOBSA-N 2 0 249.305 0.283 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@H]1CC[C@H](C2CC2)O1 ZINC000715402888 712517330 /nfs/dbraw/zinc/51/73/30/712517330.db2.gz NDVHGWCYXQFIFL-CHWSQXEVSA-N 2 0 242.363 0.851 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000715578492 712529185 /nfs/dbraw/zinc/52/91/85/712529185.db2.gz JDRYFADFFKUTHJ-KKOKHZNYSA-N 2 0 239.363 0.713 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715570735 712529332 /nfs/dbraw/zinc/52/93/32/712529332.db2.gz LWSVWJJKOITAAR-TUAOUCFPSA-N 2 0 241.379 0.973 20 0 BCADRP C[NH+](C)CCOc1cccc(NC(=O)C[NH3+])c1 ZINC000037030331 712530303 /nfs/dbraw/zinc/53/03/03/712530303.db2.gz CVPPZUWXFRXJLJ-UHFFFAOYSA-N 2 0 237.303 0.524 20 0 BCADRP C1C[C@@H]([NH2+]C2CCC3(CC2)OCCO3)C[NH2+]1 ZINC000715731313 712531262 /nfs/dbraw/zinc/53/12/62/712531262.db2.gz KMNBMNCKLBDFRD-LLVKDONJSA-N 2 0 226.320 0.624 20 0 BCADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cn(C)nn1 ZINC000715880210 712539037 /nfs/dbraw/zinc/53/90/37/712539037.db2.gz VIIIPKOHUVERJG-SNVBAGLBSA-N 2 0 237.351 0.808 20 0 BCADRP CC1(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)OCCO1 ZINC000716033753 712547443 /nfs/dbraw/zinc/54/74/43/712547443.db2.gz NKVOHBALXNBIIH-WDEREUQCSA-N 2 0 240.347 0.999 20 0 BCADRP C[NH+]1CCC(NCC(=O)NCC2CC2)CC1 ZINC000037253345 712558318 /nfs/dbraw/zinc/55/83/18/712558318.db2.gz JWWQYPAITSDPPY-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)C1C[NH2+]C1 ZINC000716772513 712572814 /nfs/dbraw/zinc/57/28/14/712572814.db2.gz NXFZFUOXDHWLEN-SKDRFNHKSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)C1C[NH2+]C1 ZINC000716772511 712572962 /nfs/dbraw/zinc/57/29/62/712572962.db2.gz NXFZFUOXDHWLEN-JOYOIKCWSA-N 2 0 237.347 0.195 20 0 BCADRP CC[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000818610786 712590109 /nfs/dbraw/zinc/59/01/09/712590109.db2.gz VLJFFZKMMBRXNF-MNOVXSKESA-N 2 0 227.352 0.395 20 0 BCADRP CC[NH2+]CC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000818610039 712590141 /nfs/dbraw/zinc/59/01/41/712590141.db2.gz VICADTFEORZJEA-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP CN1CC[NH+]=C1NC[C@H]1CCC[N@H+](C)C1 ZINC000379870115 712619504 /nfs/dbraw/zinc/61/95/04/712619504.db2.gz QDKBXMCJCLRKAA-SNVBAGLBSA-N 2 0 210.325 0.219 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]([NH3+])CC1CC1 ZINC000379910697 712624596 /nfs/dbraw/zinc/62/45/96/712624596.db2.gz MNFNGTZKMNPEEW-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP CN(C[C@H](O)C[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000379923462 712627771 /nfs/dbraw/zinc/62/77/71/712627771.db2.gz RMSPFKBMCIQPLY-ZDUSSCGKSA-N 2 0 241.379 0.127 20 0 BCADRP C[NH+](C)CCNC(=O)CC[NH2+]CC1CC1 ZINC000717242984 712641440 /nfs/dbraw/zinc/64/14/40/712641440.db2.gz LJJJDEBISFMOJI-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884254363 712644618 /nfs/dbraw/zinc/64/46/18/712644618.db2.gz JWZVRBKQGDHIQX-MIMYLULJSA-N 2 0 225.336 0.228 20 0 BCADRP COCC[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000380001523 712651717 /nfs/dbraw/zinc/65/17/17/712651717.db2.gz KCATURGNQMJNIG-SDDRHHMPSA-N 2 0 212.337 0.953 20 0 BCADRP COCCCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000380030816 712683622 /nfs/dbraw/zinc/68/36/22/712683622.db2.gz QGKALXHAQTVLAR-NWDGAFQWSA-N 2 0 212.337 0.954 20 0 BCADRP C[NH+]1CCC(NC(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000037633175 712706547 /nfs/dbraw/zinc/70/65/47/712706547.db2.gz PXAUDMGGIJSRHX-UHFFFAOYSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@]1(C(N)=O)CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717975194 712734697 /nfs/dbraw/zinc/73/46/97/712734697.db2.gz NZDCKQUYNRXBAL-JFGNBEQYSA-N 2 0 225.336 0.311 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@]23C[C@H]2COC3)CC1 ZINC000718028205 712736885 /nfs/dbraw/zinc/73/68/85/712736885.db2.gz NZXHDKMXKARZDV-RYUDHWBXSA-N 2 0 210.321 0.707 20 0 BCADRP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718154688 712749236 /nfs/dbraw/zinc/74/92/36/712749236.db2.gz JGIYBJGLMCJHCS-UPJWGTAASA-N 2 0 224.348 0.954 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000037718548 712750005 /nfs/dbraw/zinc/75/00/05/712750005.db2.gz ZUOKONJYIWGUFJ-LBPRGKRZSA-N 2 0 205.305 0.905 20 0 BCADRP O[C@H](C[NH+]1CCCC1)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718319134 712754888 /nfs/dbraw/zinc/75/48/88/712754888.db2.gz NKISZPANAJZUSO-FRRDWIJNSA-N 2 0 240.347 0.021 20 0 BCADRP NC(=O)CC1CC([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000718478452 712766500 /nfs/dbraw/zinc/76/65/00/712766500.db2.gz SWCIXJOAWPWGQL-BMJFEDMMSA-N 2 0 249.358 0.226 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000037824293 712768826 /nfs/dbraw/zinc/76/88/26/712768826.db2.gz ORIIHXUTQIEWEE-VXGBXAGGSA-N 2 0 239.363 0.811 20 0 BCADRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCC)C1 ZINC000719149140 712799010 /nfs/dbraw/zinc/79/90/10/712799010.db2.gz PILFPDXGDKNWIS-JTQLQIEISA-N 2 0 212.341 0.852 20 0 BCADRP O=C1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1 ZINC000719252799 712801443 /nfs/dbraw/zinc/80/14/43/712801443.db2.gz LTNBJVLVSPTJRJ-YOGCLGLASA-N 2 0 237.347 0.339 20 0 BCADRP CCNC(=O)C[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719248405 712801482 /nfs/dbraw/zinc/80/14/82/712801482.db2.gz AKGBRKGHEGSMOG-YOGCLGLASA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](CNC(=O)C[NH2+]CC1CC1)[NH+](C)C ZINC000038089342 712807456 /nfs/dbraw/zinc/80/74/56/712807456.db2.gz BMRWOCJZVQOHCK-VIFPVBQESA-N 2 0 213.325 0.052 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)C[NH3+] ZINC000720890773 712875003 /nfs/dbraw/zinc/87/50/03/712875003.db2.gz UEEVYSPVVMPREQ-QWRGUYRKSA-N 2 0 239.363 0.666 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCC[NH2+]1 ZINC000720903775 712875146 /nfs/dbraw/zinc/87/51/46/712875146.db2.gz VVXRJURUSZHLFI-IJLUTSLNSA-N 2 0 237.347 0.434 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1CCC[NH2+]1 ZINC000720903820 712875244 /nfs/dbraw/zinc/87/52/44/712875244.db2.gz VVXRJURUSZHLFI-TUAOUCFPSA-N 2 0 237.347 0.434 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CCCC[NH3+] ZINC000720901800 712876031 /nfs/dbraw/zinc/87/60/31/712876031.db2.gz UBXZSLODRCYKRK-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C1=CC[C@H]([NH3+])C1 ZINC000720901581 712876155 /nfs/dbraw/zinc/87/61/55/712876155.db2.gz SKBYMJGOXKRRLJ-RWMBFGLXSA-N 2 0 249.358 0.729 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC000721011874 712887220 /nfs/dbraw/zinc/88/72/20/712887220.db2.gz YQNQSYBWUJVOAR-UAQGADGFSA-N 2 0 237.347 0.228 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc(C[NH3+])ncn1 ZINC001164633638 719180358 /nfs/dbraw/zinc/18/03/58/719180358.db2.gz HWGDZDIUXRRRML-NXEZZACHSA-N 2 0 235.335 0.464 20 0 BCADRP C[C@@H]1CN(c2cc(C[NH3+])ncn2)[C@@H](C)C[N@@H+]1C ZINC001164633646 719180977 /nfs/dbraw/zinc/18/09/77/719180977.db2.gz HWGDZDIUXRRRML-ZJUUUORDSA-N 2 0 235.335 0.464 20 0 BCADRP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc(C[NH3+])ncn1 ZINC001164633640 719181684 /nfs/dbraw/zinc/18/16/84/719181684.db2.gz HWGDZDIUXRRRML-UWVGGRQHSA-N 2 0 235.335 0.464 20 0 BCADRP Cc1c[nH+]c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1N ZINC001164666011 719429025 /nfs/dbraw/zinc/42/90/25/719429025.db2.gz AJRCKJKSBKUSMP-VXGBXAGGSA-N 2 0 248.330 0.491 20 0 BCADRP C[NH+](C)CC1CCN(c2cc(C[NH3+])ncn2)CC1 ZINC000310988559 721944395 /nfs/dbraw/zinc/94/43/95/721944395.db2.gz ZIKWSIDGMZJOBI-UHFFFAOYSA-N 2 0 249.362 0.713 20 0 BCADRP CC[NH2+]CCNC(=O)N(CC[NH+](C)C)C(C)C ZINC000418330822 192025245 /nfs/dbraw/zinc/02/52/45/192025245.db2.gz WRNISQPFXFGYEQ-UHFFFAOYSA-N 2 0 244.383 0.578 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000378683727 346807477 /nfs/dbraw/zinc/80/74/77/346807477.db2.gz ZNTZSFDVHKXCNL-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H](C[NH2+]CCC(N)=O)C[NH+]1CCCC1 ZINC000062071158 349437558 /nfs/dbraw/zinc/43/75/58/349437558.db2.gz GVZZBZTZTQRLCU-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418336907 192025693 /nfs/dbraw/zinc/02/56/93/192025693.db2.gz BAEZMDQQVOKGCJ-QWRGUYRKSA-N 2 0 242.367 0.270 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359379158 168321325 /nfs/dbraw/zinc/32/13/25/168321325.db2.gz NTRLAPBUHHTGKZ-GHMZBOCLSA-N 2 0 239.363 0.429 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000378696265 346809234 /nfs/dbraw/zinc/80/92/34/346809234.db2.gz LDBUDDWPYKSNOU-WPRPVWTQSA-N 2 0 213.325 0.228 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](O)CC1 ZINC000378698852 346810878 /nfs/dbraw/zinc/81/08/78/346810878.db2.gz MHKITWFNJGCXMZ-RYUDHWBXSA-N 2 0 230.352 0.146 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364573396 168324775 /nfs/dbraw/zinc/32/47/75/168324775.db2.gz BKCFAPNFSCSHNI-JQWIXIFHSA-N 2 0 239.363 0.620 20 0 BCADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649322656 398144678 /nfs/dbraw/zinc/14/46/78/398144678.db2.gz CTSBPLBCNJVZFY-WUHRBBMRSA-N 2 0 249.358 0.052 20 0 BCADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(N)=O ZINC000224355959 398147023 /nfs/dbraw/zinc/14/70/23/398147023.db2.gz VNIVRVVQKYSUAU-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000257762725 349483543 /nfs/dbraw/zinc/48/35/43/349483543.db2.gz YCYROSSTPFZNEZ-LBPRGKRZSA-N 2 0 227.352 0.132 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CCC(N)=O)C1 ZINC000257785229 349483722 /nfs/dbraw/zinc/48/37/22/349483722.db2.gz VWAAZQCHHRAVLR-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)C2([NH3+])CCCC2)C1 ZINC000649342229 398159025 /nfs/dbraw/zinc/15/90/25/398159025.db2.gz VEAFVWBFRIOJGL-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H](CNC(=O)C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000237543227 398154974 /nfs/dbraw/zinc/15/49/74/398154974.db2.gz RIIGEBOEPFYFPD-NSHDSACASA-N 2 0 247.342 0.508 20 0 BCADRP C[C@H](CCO)[NH+](C)CCC[N@@H+](C)[C@H](C)CCO ZINC000649869721 398155503 /nfs/dbraw/zinc/15/55/03/398155503.db2.gz KPJJNHIHRDZFLC-CHWSQXEVSA-N 2 0 246.395 0.782 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000379591082 398155711 /nfs/dbraw/zinc/15/57/11/398155711.db2.gz WEWVHXPGWGHNSM-NSHDSACASA-N 2 0 222.336 0.930 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422905781 398157170 /nfs/dbraw/zinc/15/71/70/398157170.db2.gz SSSUEBBAQWXLEM-HNGCFSAESA-N 2 0 223.364 0.953 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000649341580 398157527 /nfs/dbraw/zinc/15/75/27/398157527.db2.gz JCRKRQYFNAMQNL-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]1C[C@H](N(C)C(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000649340930 398157774 /nfs/dbraw/zinc/15/77/74/398157774.db2.gz AXKMUMQEDFZDRL-QJPTWQEYSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000649341574 398158106 /nfs/dbraw/zinc/15/81/06/398158106.db2.gz INNNRDHAYAPGRS-MNOVXSKESA-N 2 0 239.363 0.442 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000366493851 398167771 /nfs/dbraw/zinc/16/77/71/398167771.db2.gz BDPVJKYQXLQYDU-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000649355334 398168810 /nfs/dbraw/zinc/16/88/10/398168810.db2.gz HCEKUXPUVDGPFG-UTLUCORTSA-N 2 0 213.325 0.132 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH3+] ZINC000649359846 398171906 /nfs/dbraw/zinc/17/19/06/398171906.db2.gz FPZNKMCNEUWCFK-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)[NH+](C)C ZINC000649359926 398172872 /nfs/dbraw/zinc/17/28/72/398172872.db2.gz NGGTTZNEAVZDLT-KXUCPTDWSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H](C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[NH+](C)C ZINC000649362639 398173682 /nfs/dbraw/zinc/17/36/82/398173682.db2.gz JESJGRCEVOJOBL-SRVKXCTJSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C[C@@H](C)[NH3+] ZINC000380060701 398183379 /nfs/dbraw/zinc/18/33/79/398183379.db2.gz ZLZNIIWWNLOGON-SECBINFHSA-N 2 0 201.314 0.228 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000649366328 398176288 /nfs/dbraw/zinc/17/62/88/398176288.db2.gz YOOKYUPYXYVKAO-AEJSXWLSSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000390515409 398177017 /nfs/dbraw/zinc/17/70/17/398177017.db2.gz CSYOIBBFYQDXOP-QEYWKRMJSA-N 2 0 213.325 0.356 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H](C)[NH+](C)C ZINC000649364496 398177235 /nfs/dbraw/zinc/17/72/35/398177235.db2.gz PFKCCEVJIIPOPH-BDAKNGLRSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649348466 398162330 /nfs/dbraw/zinc/16/23/30/398162330.db2.gz LRDKJXYBIUMOGJ-BQSNPHCVSA-N 2 0 249.358 0.051 20 0 BCADRP CC[N@H+]1C[C@H](NCC[NH2+]CCOC)[C@@H](C)C1 ZINC000423343896 398166209 /nfs/dbraw/zinc/16/62/09/398166209.db2.gz WJPNAXWEDLZHCA-RYUDHWBXSA-N 2 0 229.368 0.152 20 0 BCADRP CC[N@@H+]1C[C@@H](C)[C@H](NCC[NH2+]CCOC)C1 ZINC000423343897 398166355 /nfs/dbraw/zinc/16/63/55/398166355.db2.gz WJPNAXWEDLZHCA-VXGBXAGGSA-N 2 0 229.368 0.152 20 0 BCADRP C[C@@H](C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[NH+](C)C ZINC000649354399 398167387 /nfs/dbraw/zinc/16/73/87/398167387.db2.gz KMVRQVVQDLGGPQ-UTLUCORTSA-N 2 0 213.325 0.132 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649374985 398187001 /nfs/dbraw/zinc/18/70/01/398187001.db2.gz BSNWJPIVQJISCO-UTUOFQBUSA-N 2 0 239.363 0.537 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000649374998 398187035 /nfs/dbraw/zinc/18/70/35/398187035.db2.gz DGZCAARHLZSFOH-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000083884172 398187873 /nfs/dbraw/zinc/18/78/73/398187873.db2.gz NABLCDOVGLSGKK-NSHDSACASA-N 2 0 225.336 0.293 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000083884184 398187958 /nfs/dbraw/zinc/18/79/58/398187958.db2.gz ZYJXVIWCGWIEDM-GFCCVEGCSA-N 2 0 239.363 0.812 20 0 BCADRP CN(C(=O)CC1CC[NH2+]CC1)[C@@H](C[NH3+])C1CC1 ZINC000576225811 365528756 /nfs/dbraw/zinc/52/87/56/365528756.db2.gz AIURLTMQBIXJRO-LBPRGKRZSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@]1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CCOC1 ZINC000397246259 398190065 /nfs/dbraw/zinc/19/00/65/398190065.db2.gz ULNKHCDNDAEOHE-STQMWFEESA-N 2 0 242.363 0.459 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N(C)CC[NH+](C)C ZINC000418354238 192027175 /nfs/dbraw/zinc/02/71/75/192027175.db2.gz DUCAAKNRASQUJS-JTQLQIEISA-N 2 0 230.356 0.045 20 0 BCADRP CCN(C)C[C@@H](O)C[N@H+](C[C@H](C)O)C(C)C ZINC000576237578 365532095 /nfs/dbraw/zinc/53/20/95/365532095.db2.gz CJVPJQNPJKQXPZ-NWDGAFQWSA-N 2 0 232.368 0.390 20 0 BCADRP C[C@H](NCC1(CO)CC1)[C@@H]1CCCC[NH2+]1 ZINC000385993493 398194114 /nfs/dbraw/zinc/19/41/14/398194114.db2.gz FHAWYJABPDNTOO-QWRGUYRKSA-N 2 0 212.337 0.879 20 0 BCADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ncnn1C ZINC000647795788 398194439 /nfs/dbraw/zinc/19/44/39/398194439.db2.gz WDNLUYIYVNEHOW-IRCOFANPSA-N 2 0 249.362 0.854 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000561109252 322995618 /nfs/dbraw/zinc/99/56/18/322995618.db2.gz UMXZULSBMFWGFS-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)CCC(C)(C)[NH3+] ZINC000380338951 398196070 /nfs/dbraw/zinc/19/60/70/398196070.db2.gz RBACURCHXDFHLB-QMMMGPOBSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)[NH+](C)C ZINC000649370224 398184278 /nfs/dbraw/zinc/18/42/78/398184278.db2.gz HWOLMOAKCZJZMO-WDEREUQCSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)[NH+](C)C ZINC000649370223 398184323 /nfs/dbraw/zinc/18/43/23/398184323.db2.gz HWOLMOAKCZJZMO-QWRGUYRKSA-N 2 0 239.363 0.727 20 0 BCADRP Cc1cc(N2CCC[N@H+](CCO)CC2)cc[nH+]1 ZINC000163000452 178114578 /nfs/dbraw/zinc/11/45/78/178114578.db2.gz AKLFCWZYAIMDGT-UHFFFAOYSA-N 2 0 235.331 0.894 20 0 BCADRP C[C@@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)[NH+]1CCCC1 ZINC000164695435 398202700 /nfs/dbraw/zinc/20/27/00/398202700.db2.gz WVVTYOGFACUQMT-QWRGUYRKSA-N 2 0 239.363 0.442 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000561181322 322996480 /nfs/dbraw/zinc/99/64/80/322996480.db2.gz CPLQIHXSOQIPGJ-LLVKDONJSA-N 2 0 227.352 0.762 20 0 BCADRP CC[N@H+](CCNC(=O)CCCC[NH3+])C(C)C ZINC000576275705 365547045 /nfs/dbraw/zinc/54/70/45/365547045.db2.gz KJRIFSKWMZDLGJ-UHFFFAOYSA-N 2 0 229.368 0.962 20 0 BCADRP CCC[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000386436734 398207542 /nfs/dbraw/zinc/20/75/42/398207542.db2.gz MCLCXVVEDZLVMN-TUAOUCFPSA-N 2 0 212.337 0.953 20 0 BCADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000576291661 365555311 /nfs/dbraw/zinc/55/53/11/365555311.db2.gz OQNWUJBSVUZESM-QCNOEVLYSA-N 2 0 239.363 0.761 20 0 BCADRP [NH3+]CCC[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000649411880 398214022 /nfs/dbraw/zinc/21/40/22/398214022.db2.gz NBAHXHXIGXKFQC-UHFFFAOYSA-N 2 0 249.362 0.753 20 0 BCADRP Cc1noc(CCC[N@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000576346687 365571503 /nfs/dbraw/zinc/57/15/03/365571503.db2.gz VNBGPJQGKZHYHM-KOLCDFICSA-N 2 0 238.335 0.980 20 0 BCADRP CC1(C)CN(C(=O)[C@H]2CCCCC[NH2+]2)CC[NH2+]1 ZINC000576373591 365580309 /nfs/dbraw/zinc/58/03/09/365580309.db2.gz DNHIKGMJMIHBLV-LLVKDONJSA-N 2 0 239.363 0.729 20 0 BCADRP Cn1cc(C[C@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)cn1 ZINC000649414150 398212976 /nfs/dbraw/zinc/21/29/76/398212976.db2.gz JKISRRYTHTXFHG-OLZOCXBDSA-N 2 0 248.374 0.894 20 0 BCADRP Cn1cc(C[C@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cn1 ZINC000649414149 398212986 /nfs/dbraw/zinc/21/29/86/398212986.db2.gz JKISRRYTHTXFHG-CHWSQXEVSA-N 2 0 248.374 0.894 20 0 BCADRP c1cnn(CCN2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000649419369 398220545 /nfs/dbraw/zinc/22/05/45/398220545.db2.gz MYUPURGDHOSUEF-NWDGAFQWSA-N 2 0 220.320 0.567 20 0 BCADRP c1cnn(CCN2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000649419370 398220637 /nfs/dbraw/zinc/22/06/37/398220637.db2.gz MYUPURGDHOSUEF-RYUDHWBXSA-N 2 0 220.320 0.567 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000417449555 398223891 /nfs/dbraw/zinc/22/38/91/398223891.db2.gz YCIVKVGEPPCEAZ-HBNTYKKESA-N 2 0 244.383 0.752 20 0 BCADRP CCCCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576481324 365595497 /nfs/dbraw/zinc/59/54/97/365595497.db2.gz UQGGAWDEWWEOBX-WDEREUQCSA-N 2 0 225.336 0.420 20 0 BCADRP CCCCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576481323 365595621 /nfs/dbraw/zinc/59/56/21/365595621.db2.gz UQGGAWDEWWEOBX-QWRGUYRKSA-N 2 0 225.336 0.420 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418374371 192029981 /nfs/dbraw/zinc/02/99/81/192029981.db2.gz SKGJVQGCJNFDRU-JTQLQIEISA-N 2 0 242.367 0.365 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000418395371 192033111 /nfs/dbraw/zinc/03/31/11/192033111.db2.gz BYECPEHZEUIYNH-MNOVXSKESA-N 2 0 242.367 0.363 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418397149 192033142 /nfs/dbraw/zinc/03/31/42/192033142.db2.gz BTDDFKAOPZVJSP-DCAQKATOSA-N 2 0 242.367 0.540 20 0 BCADRP C[N@H+](CCN1CCCC1=O)CC(C)(C)C[NH3+] ZINC000430560660 398227853 /nfs/dbraw/zinc/22/78/53/398227853.db2.gz WZQKRKZKVUZJEZ-UHFFFAOYSA-N 2 0 227.352 0.526 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418382976 192030929 /nfs/dbraw/zinc/03/09/29/192030929.db2.gz MTYKMFZWPMCZKI-UWVGGRQHSA-N 2 0 228.340 0.021 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418385372 192031314 /nfs/dbraw/zinc/03/13/14/192031314.db2.gz KNIWPUFNIPNSOU-WDEREUQCSA-N 2 0 244.383 0.515 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418385195 192031617 /nfs/dbraw/zinc/03/16/17/192031617.db2.gz PXZTWFFTJJVJCT-MXWKQRLJSA-N 2 0 240.351 0.036 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000418387258 192031880 /nfs/dbraw/zinc/03/18/80/192031880.db2.gz MDNFLHLBXMOGKZ-SNVBAGLBSA-N 2 0 244.383 0.468 20 0 BCADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647986637 398228183 /nfs/dbraw/zinc/22/81/83/398228183.db2.gz WJMKPSKUQBKSMF-RDBSUJKOSA-N 3 0 237.391 0.917 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418394396 192032166 /nfs/dbraw/zinc/03/21/66/192032166.db2.gz RRCXLYWNIMCJOT-NXEZZACHSA-N 2 0 230.356 0.124 20 0 BCADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647986636 398228469 /nfs/dbraw/zinc/22/84/69/398228469.db2.gz WJMKPSKUQBKSMF-MJBXVCDLSA-N 3 0 237.391 0.917 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000418403250 192033953 /nfs/dbraw/zinc/03/39/53/192033953.db2.gz JEFZGRQRMGENSX-MNOVXSKESA-N 2 0 242.367 0.493 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCC(C)(C)[NH3+] ZINC000418412420 192034009 /nfs/dbraw/zinc/03/40/09/192034009.db2.gz HKWNRYTXPISNPN-VIFPVBQESA-N 2 0 230.356 0.396 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000418413079 192034354 /nfs/dbraw/zinc/03/43/54/192034354.db2.gz RQFMIGGENDLNES-WDEREUQCSA-N 2 0 242.367 0.363 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000418413074 192034376 /nfs/dbraw/zinc/03/43/76/192034376.db2.gz RQFMIGGENDLNES-GHMZBOCLSA-N 2 0 242.367 0.363 20 0 BCADRP [NH3+]C[C@H](NC(=O)NCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000418408947 192034390 /nfs/dbraw/zinc/03/43/90/192034390.db2.gz UYZUYHQANSMBMD-MNOVXSKESA-N 2 0 240.351 0.165 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NC[C@H]([NH3+])C(C)C ZINC000418412173 192034570 /nfs/dbraw/zinc/03/45/70/192034570.db2.gz QYNMYAGUTYMVKN-ZJUUUORDSA-N 2 0 230.356 0.267 20 0 BCADRP CC(C)([NH3+])CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418413955 192034937 /nfs/dbraw/zinc/03/49/37/192034937.db2.gz RHUWNVOVWSLEIP-ZJUUUORDSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC(C)(C)[NH3+] ZINC000418414780 192035002 /nfs/dbraw/zinc/03/50/02/192035002.db2.gz MAEGFCKJXLINAB-IUCAKERBSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@@H](CNC(=O)C[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000430759975 398231280 /nfs/dbraw/zinc/23/12/80/398231280.db2.gz HTTZKBDUMIKJRV-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000092630016 398235869 /nfs/dbraw/zinc/23/58/69/398235869.db2.gz KGMQEKAFIZDBLW-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NCCCC[NH3+] ZINC000418435661 192035934 /nfs/dbraw/zinc/03/59/34/192035934.db2.gz HVHHJJWVEMGXKK-UHFFFAOYSA-N 2 0 230.356 0.542 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418417948 192035441 /nfs/dbraw/zinc/03/54/41/192035441.db2.gz WYIACBYTNYZHFE-OUAUKWLOSA-N 2 0 242.367 0.539 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC000629945489 361791206 /nfs/dbraw/zinc/79/12/06/361791206.db2.gz DPAWRTOZXIDHGA-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N(C)[C@H](C)C[NH3+] ZINC000418441654 192036193 /nfs/dbraw/zinc/03/61/93/192036193.db2.gz SDQRONQZYJKQEQ-SECBINFHSA-N 2 0 230.356 0.493 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N(C)[C@H](C)C[NH3+] ZINC000418442637 192036686 /nfs/dbraw/zinc/03/66/86/192036686.db2.gz KEBDSDZYRYHJNE-ZJUUUORDSA-N 2 0 230.356 0.493 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NCC[NH2+]CCC ZINC000418447342 192036358 /nfs/dbraw/zinc/03/63/58/192036358.db2.gz PHMGYPQJFQDAIF-LLVKDONJSA-N 2 0 244.383 0.803 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@H](C)CCC[NH3+] ZINC000418445032 192036785 /nfs/dbraw/zinc/03/67/85/192036785.db2.gz MTBRMQPGVQTEKK-MNOVXSKESA-N 2 0 244.383 0.931 20 0 BCADRP CCC(CC)C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000308932920 168361398 /nfs/dbraw/zinc/36/13/98/168361398.db2.gz MWRHCDZMOGWOPD-GHMZBOCLSA-N 2 0 200.326 0.593 20 0 BCADRP C[C@@H](NC(=O)[C@H](C)[NH2+]C1CC1)[C@H]1CCC[NH2+]C1 ZINC000576463486 365602264 /nfs/dbraw/zinc/60/22/64/365602264.db2.gz SBVYTCNIRLKRCC-VWYCJHECSA-N 2 0 239.363 0.631 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000576480098 365608035 /nfs/dbraw/zinc/60/80/35/365608035.db2.gz UGOKYLSMKQUINV-QWRGUYRKSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@H]([NH3+])CCc1nc([C@H]2CCC[NH2+]2)no1 ZINC000381254734 398244489 /nfs/dbraw/zinc/24/44/89/398244489.db2.gz QMHOQZWMDCBHMX-JGVFFNPUSA-N 2 0 210.281 0.774 20 0 BCADRP CC1(C)NC(=O)CC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000576507388 365611603 /nfs/dbraw/zinc/61/16/03/365611603.db2.gz LKUHBSRBJFVDQE-MNOVXSKESA-N 2 0 239.363 0.775 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000576507435 365612531 /nfs/dbraw/zinc/61/25/31/365612531.db2.gz VGHZRIXEJLUAPS-IJLUTSLNSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000576515216 365614990 /nfs/dbraw/zinc/61/49/90/365614990.db2.gz FJNZKZDQIUKBAF-GMTAPVOTSA-N 2 0 225.336 0.134 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000576515292 365615011 /nfs/dbraw/zinc/61/50/11/365615011.db2.gz IAXROXQFZMRJJE-WHOHXGKFSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000576576626 365627379 /nfs/dbraw/zinc/62/73/79/365627379.db2.gz GVVDUABVUDPENU-LOWVWBTDSA-N 2 0 239.363 0.633 20 0 BCADRP OCCCC[N@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000390748355 398247324 /nfs/dbraw/zinc/24/73/24/398247324.db2.gz AXPAGHMQQLHTKY-NSHDSACASA-N 2 0 212.337 0.833 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000576628420 365642267 /nfs/dbraw/zinc/64/22/67/365642267.db2.gz YAQMLPCYOAVXHB-UTUOFQBUSA-N 2 0 239.363 0.620 20 0 BCADRP OCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000168835774 538945740 /nfs/dbraw/zinc/94/57/40/538945740.db2.gz JDWOZFITACMYCV-RYUDHWBXSA-N 2 0 224.348 0.975 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000381422393 398257226 /nfs/dbraw/zinc/25/72/26/398257226.db2.gz XQPVAJJNTCCKNF-TUAOUCFPSA-N 2 0 209.337 0.280 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000381422392 398257401 /nfs/dbraw/zinc/25/74/01/398257401.db2.gz XQPVAJJNTCCKNF-SRVKXCTJSA-N 2 0 209.337 0.280 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000576702067 365662661 /nfs/dbraw/zinc/66/26/61/365662661.db2.gz KEIUBNGCFLPILJ-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000576701846 365663106 /nfs/dbraw/zinc/66/31/06/365663106.db2.gz FGWRYKKGASPGCW-RKDXNWHRSA-N 2 0 221.304 0.670 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000576705145 365664100 /nfs/dbraw/zinc/66/41/00/365664100.db2.gz RWWVGVVQIZCLHO-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000381483375 398259413 /nfs/dbraw/zinc/25/94/13/398259413.db2.gz UGPZGYMAGPBIBH-LLVKDONJSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000381369844 398254826 /nfs/dbraw/zinc/25/48/26/398254826.db2.gz HFBMLCDEMLIJCB-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000576754377 365676238 /nfs/dbraw/zinc/67/62/38/365676238.db2.gz OPYWKKWHJXHEAD-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH+](C)Cc1ccnc(NC(=O)CC[NH3+])c1 ZINC000576751787 365676776 /nfs/dbraw/zinc/67/67/76/365676776.db2.gz OMUBNLRGUROMHM-UHFFFAOYSA-N 2 0 222.292 0.431 20 0 BCADRP C[C@@](CN)([NH2+]CC1CC[NH2+]CC1)C1CC1 ZINC000381404431 398255868 /nfs/dbraw/zinc/25/58/68/398255868.db2.gz QWYMYQVPGKQLHA-LBPRGKRZSA-N 2 0 211.353 0.703 20 0 BCADRP CC(C)([NH3+])CCC(=O)NC[C@H]1CCC[NH2+]1 ZINC000381540921 398262554 /nfs/dbraw/zinc/26/25/54/398262554.db2.gz IPEDTEXFAVBJSF-SECBINFHSA-N 2 0 213.325 0.372 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000576769443 365682521 /nfs/dbraw/zinc/68/25/21/365682521.db2.gz RGYAJKCSTHBFSA-NSHDSACASA-N 2 0 227.352 0.618 20 0 BCADRP COCC1(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000381522835 398259920 /nfs/dbraw/zinc/25/99/20/398259920.db2.gz VHEPZTIGUXEJHH-RYUDHWBXSA-N 2 0 224.348 0.954 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000518768167 346828047 /nfs/dbraw/zinc/82/80/47/346828047.db2.gz CPPVTOMCVQJXMM-GHMZBOCLSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000582003799 398270000 /nfs/dbraw/zinc/27/00/00/398270000.db2.gz AHUZDBCPPDJDQV-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP COC[C@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182963980 346828625 /nfs/dbraw/zinc/82/86/25/346828625.db2.gz NOKSZMHZIMYDEX-ZDUSSCGKSA-N 2 0 243.395 0.591 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000381708830 398270611 /nfs/dbraw/zinc/27/06/11/398270611.db2.gz JXVFPKCMAOZGIJ-MNOVXSKESA-N 3 0 211.353 0.655 20 0 BCADRP CC(C)C(=O)NCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129665676 323009140 /nfs/dbraw/zinc/00/91/40/323009140.db2.gz JPVPTDULKZAAKY-NEPJUHHUSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183335475 346841936 /nfs/dbraw/zinc/84/19/36/346841936.db2.gz NBTBOEDYFPPHEA-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCCC[NH+](C)C ZINC000165403441 361839682 /nfs/dbraw/zinc/83/96/82/361839682.db2.gz ALQNSXDUAJJCTB-UWVGGRQHSA-N 2 0 215.341 0.428 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000165282895 361837598 /nfs/dbraw/zinc/83/75/98/361837598.db2.gz SEKHVCHGISJFOL-GUBZILKMSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@@H](C(=O)NCC(C)(C)[NH+](C)C)[C@H](C)[NH3+] ZINC000165352130 361838406 /nfs/dbraw/zinc/83/84/06/361838406.db2.gz NTHFFVAXSFVYIB-BDAKNGLRSA-N 2 0 215.341 0.426 20 0 BCADRP C[NH2+]CCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000381837296 398275186 /nfs/dbraw/zinc/27/51/86/398275186.db2.gz PFVFUEHIYGMXAQ-UHFFFAOYSA-N 3 0 211.353 0.671 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000335381301 136234879 /nfs/dbraw/zinc/23/48/79/136234879.db2.gz QLDYMXJQTNDNQO-ZDUSSCGKSA-N 2 0 247.342 0.863 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634740879 398278529 /nfs/dbraw/zinc/27/85/29/398278529.db2.gz LKKCLXRLOWLNNA-WCFLWFBJSA-N 2 0 239.363 0.442 20 0 BCADRP CCC[NH2+]CCNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000418492818 192041773 /nfs/dbraw/zinc/04/17/73/192041773.db2.gz WFIFSNLZPKNPDX-GHMZBOCLSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC[NH2+]1 ZINC000335604342 136235886 /nfs/dbraw/zinc/23/58/86/136235886.db2.gz DOZYRUVQRMWWSF-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[NH2+]CCNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000418491392 192041802 /nfs/dbraw/zinc/04/18/02/192041802.db2.gz RVNOVTPXXDPEGL-QWRGUYRKSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418494283 192042042 /nfs/dbraw/zinc/04/20/42/192042042.db2.gz RXAOGROTAKVXJM-UTLUCORTSA-N 2 0 228.340 0.150 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000418496037 192042274 /nfs/dbraw/zinc/04/22/74/192042274.db2.gz VBSNNFXWMXZUPS-GMTAPVOTSA-N 2 0 242.367 0.493 20 0 BCADRP CCCN(C(=O)NC[C@H](C)C[NH3+])[C@@H]1CC[NH2+]C1 ZINC000418496570 192042322 /nfs/dbraw/zinc/04/23/22/192042322.db2.gz VPZJXFPVRUUZTA-GHMZBOCLSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000517742433 342746043 /nfs/dbraw/zinc/74/60/43/342746043.db2.gz DZAVOMHXKHOWIH-VWYCJHECSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)[C@H](C(=O)NC1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000399628572 342739459 /nfs/dbraw/zinc/73/94/59/342739459.db2.gz FIXKPTGQTRLGNN-JQWIXIFHSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418453741 192042785 /nfs/dbraw/zinc/04/27/85/192042785.db2.gz YOPUDXXHNRHNIT-QWRGUYRKSA-N 2 0 242.367 0.396 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000418450565 192042902 /nfs/dbraw/zinc/04/29/02/192042902.db2.gz UZTXHQZXGIHRQE-QWRGUYRKSA-N 2 0 242.367 0.363 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000518180190 398282233 /nfs/dbraw/zinc/28/22/33/398282233.db2.gz LJMISSHBVYFSGL-AXFHLTTASA-N 2 0 225.336 0.454 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000418453295 192043244 /nfs/dbraw/zinc/04/32/44/192043244.db2.gz XXESWMYNJWPKOA-GHMZBOCLSA-N 2 0 242.367 0.493 20 0 BCADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H](C)C[NH3+] ZINC000418508330 192044798 /nfs/dbraw/zinc/04/47/98/192044798.db2.gz DPUFECLRWPZDSB-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H]1C[C@H](NC(=O)NC2CC[NH2+]CC2)CC[NH2+]1 ZINC000630048469 361917124 /nfs/dbraw/zinc/91/71/24/361917124.db2.gz ZXWYCBKPYMCSAC-GXSJLCMTSA-N 2 0 240.351 0.178 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NC2CC[NH2+]CC2)C1 ZINC000335464112 398288632 /nfs/dbraw/zinc/28/86/32/398288632.db2.gz HSZHRBRNAHHVIQ-ONGXEEELSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000418520737 192047116 /nfs/dbraw/zinc/04/71/16/192047116.db2.gz HLUQWYTWMHPBLW-OUAUKWLOSA-N 2 0 242.367 0.493 20 0 BCADRP CC[C@@]1(C(=O)N2CC[NH2+]C(C)(C)C2)CCC[NH2+]1 ZINC000335627945 136241113 /nfs/dbraw/zinc/24/11/13/136241113.db2.gz WPKJOVZIJFKMBG-ZDUSSCGKSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)(C(=O)NCC[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000417821942 398294631 /nfs/dbraw/zinc/29/46/31/398294631.db2.gz ZJCVKGXPDAXYMU-NSHDSACASA-N 2 0 235.331 0.788 20 0 BCADRP COCC[C@@H](CO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000382678399 539010616 /nfs/dbraw/zinc/01/06/16/539010616.db2.gz CSCBSWUCJLTOFD-AAEUAGOBSA-N 2 0 244.379 0.704 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335626387 136240758 /nfs/dbraw/zinc/24/07/58/136240758.db2.gz CYUOVDYVJZPAMS-VIFPVBQESA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCC[NH3+] ZINC000417883469 398299283 /nfs/dbraw/zinc/29/92/83/398299283.db2.gz WKNQLZXQSGSYFI-ONGXEEELSA-N 2 0 240.351 0.117 20 0 BCADRP Cc1nc[nH]c1CNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000380229869 346867511 /nfs/dbraw/zinc/86/75/11/346867511.db2.gz QGJCATWRXKVUDO-CBAPKCEASA-N 2 0 222.292 0.332 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1([NH3+])CCC1 ZINC000418529988 192048276 /nfs/dbraw/zinc/04/82/76/192048276.db2.gz VBZHRJMXKCNPLQ-UWVGGRQHSA-N 2 0 240.351 0.165 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335646122 136243948 /nfs/dbraw/zinc/24/39/48/136243948.db2.gz LSZIBYSBAZSGTG-NSHDSACASA-N 2 0 211.353 0.716 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C1(C)C[NH2+]C1 ZINC000399170496 398304486 /nfs/dbraw/zinc/30/44/86/398304486.db2.gz NYXXIQLWJFSBPE-SECBINFHSA-N 2 0 213.325 0.052 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCCOCC[NH+](C)C ZINC000232655700 342869121 /nfs/dbraw/zinc/86/91/21/342869121.db2.gz ZEABRYVMXFRKRG-UHFFFAOYSA-N 2 0 245.367 0.069 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418553384 192050615 /nfs/dbraw/zinc/05/06/15/192050615.db2.gz CNPVGCMJBDDSSU-VPOLOUISSA-N 2 0 240.351 0.116 20 0 BCADRP CN(C)C(=O)CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000096981704 398314426 /nfs/dbraw/zinc/31/44/26/398314426.db2.gz WNWYYHAPALKUPK-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)C[NH3+] ZINC000418562854 192051094 /nfs/dbraw/zinc/05/10/94/192051094.db2.gz GVAMPWRXRGOHGJ-WDEREUQCSA-N 2 0 242.367 0.315 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000418566356 192051307 /nfs/dbraw/zinc/05/13/07/192051307.db2.gz MVDOAXCUFMXYCS-VHSXEESVSA-N 2 0 228.340 0.069 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CCn2cc(C)cn2)C1 ZINC000234406960 342924803 /nfs/dbraw/zinc/92/48/03/342924803.db2.gz XLAWBWZULRKRHT-GFCCVEGCSA-N 2 0 222.336 0.733 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000418579437 192053161 /nfs/dbraw/zinc/05/31/61/192053161.db2.gz JVQIDQZFSXVKSL-OUAUKWLOSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418579571 192052875 /nfs/dbraw/zinc/05/28/75/192052875.db2.gz RMXZNSYQLIHHFV-XFWSIPNHSA-N 2 0 228.340 0.019 20 0 BCADRP CC[NH+](CC)CCNc1cc[nH+]cc1C(N)=O ZINC000302127853 398325029 /nfs/dbraw/zinc/32/50/29/398325029.db2.gz BFEWNYHTKHAEDY-UHFFFAOYSA-N 2 0 236.319 0.934 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000234263480 342919495 /nfs/dbraw/zinc/91/94/95/342919495.db2.gz WKXHQBZVEMGAGR-NWDGAFQWSA-N 3 0 229.368 0.424 20 0 BCADRP CC(C)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000037108571 342921113 /nfs/dbraw/zinc/92/11/13/342921113.db2.gz VUHLMHKJSWXLQQ-UHFFFAOYSA-N 2 0 213.325 0.006 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC(C)(C)C[NH3+] ZINC000418586094 192053287 /nfs/dbraw/zinc/05/32/87/192053287.db2.gz ZHCQAMDYGQFCEV-BDAKNGLRSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418584380 192053557 /nfs/dbraw/zinc/05/35/57/192053557.db2.gz BZEGTMMGTZCYQL-GXSJLCMTSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000037476634 398327860 /nfs/dbraw/zinc/32/78/60/398327860.db2.gz GKPHAVVLWWETGB-VIFPVBQESA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCC(C)(C)C[NH+](C)C ZINC000037475757 342936046 /nfs/dbraw/zinc/93/60/46/342936046.db2.gz KBFWCPWAZOMGEC-VIFPVBQESA-N 2 0 215.341 0.428 20 0 BCADRP CC[NH+](CC)CCCNC(=O)C[C@@H](C)[NH3+] ZINC000037475878 342936341 /nfs/dbraw/zinc/93/63/41/342936341.db2.gz YIFVGNYKSBQGPJ-SNVBAGLBSA-N 2 0 215.341 0.572 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000418602708 192054877 /nfs/dbraw/zinc/05/48/77/192054877.db2.gz NUXPSJBYMLRSAL-GMTAPVOTSA-N 2 0 242.367 0.376 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000580310205 346889315 /nfs/dbraw/zinc/88/93/15/346889315.db2.gz AOWCZASLIIMBFP-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000418595112 192055103 /nfs/dbraw/zinc/05/51/03/192055103.db2.gz WTYIQUQEBBYHMR-HBNTYKKESA-N 2 0 240.351 0.389 20 0 BCADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCNC(=O)C2)CC1 ZINC000392772378 398335186 /nfs/dbraw/zinc/33/51/86/398335186.db2.gz DNNBUZDEIBSYCU-GFCCVEGCSA-N 2 0 237.347 0.507 20 0 BCADRP [NH3+]CCCC(=O)NCC[N@H+]1CC=CCC1 ZINC000392908856 398335914 /nfs/dbraw/zinc/33/59/14/398335914.db2.gz VVAIAOQYRDXKDM-UHFFFAOYSA-N 2 0 211.309 0.103 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000038089214 398335945 /nfs/dbraw/zinc/33/59/45/398335945.db2.gz QJTLHBCIAXWPKM-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000519760444 488188620 /nfs/dbraw/zinc/18/86/20/488188620.db2.gz RBXGGMPXGLAIOS-YNEHKIRRSA-N 2 0 244.379 0.440 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)C[NH2+]C)CC1 ZINC000381858456 346894142 /nfs/dbraw/zinc/89/41/42/346894142.db2.gz VSGDKCITJNHXPO-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000635643916 398344153 /nfs/dbraw/zinc/34/41/53/398344153.db2.gz BOTKMXSKKHFODA-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)([NH3+])CC(=O)NCCC[NH2+]C1CC1 ZINC000648202566 398344622 /nfs/dbraw/zinc/34/46/22/398344622.db2.gz RUSBNSDVLAPQSF-UHFFFAOYSA-N 2 0 213.325 0.372 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000261988982 534927850 /nfs/dbraw/zinc/92/78/50/534927850.db2.gz OTJAAURAEDBSJY-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000580314399 346897130 /nfs/dbraw/zinc/89/71/30/346897130.db2.gz PYIJYOQGLZPGPF-BBBLOLIVSA-N 2 0 213.325 0.215 20 0 BCADRP C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000037801507 342954588 /nfs/dbraw/zinc/95/45/88/342954588.db2.gz BIKZXIKQFZHUNM-LBPRGKRZSA-N 2 0 249.358 0.924 20 0 BCADRP COCCN1CC[C@H]([NH2+]C[C@H]2CCCN2C)C1 ZINC000328209146 346901173 /nfs/dbraw/zinc/90/11/73/346901173.db2.gz UWOJPIRGKSZGJU-QWHCGFSZSA-N 2 0 241.379 0.391 20 0 BCADRP COCCN1CC[C@@H]([NH2+]C[C@H]2CCCN2C)C1 ZINC000328209144 346901197 /nfs/dbraw/zinc/90/11/97/346901197.db2.gz UWOJPIRGKSZGJU-CHWSQXEVSA-N 2 0 241.379 0.391 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N(C)CC[NH2+]C ZINC000168067398 534928749 /nfs/dbraw/zinc/92/87/49/534928749.db2.gz MGXFOVHLROWXGV-UHFFFAOYSA-N 2 0 215.341 0.429 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C[NH2+]C(C)C ZINC000041680165 488192215 /nfs/dbraw/zinc/19/22/15/488192215.db2.gz ONIYLEPTZJYJHG-LLVKDONJSA-N 2 0 229.368 0.831 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000518179737 259338247 /nfs/dbraw/zinc/33/82/47/259338247.db2.gz DBZIAFAWLHPLHM-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP COC[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037859765 342987127 /nfs/dbraw/zinc/98/71/27/342987127.db2.gz AIPWWJIEPIBERG-WDEREUQCSA-N 2 0 216.325 0.068 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000418625550 192057859 /nfs/dbraw/zinc/05/78/59/192057859.db2.gz JFLUZXSKCFCLJO-AXFHLTTASA-N 2 0 242.367 0.363 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050457587 343022058 /nfs/dbraw/zinc/02/20/58/343022058.db2.gz CFMVAWLBYZYXSK-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050465049 343022700 /nfs/dbraw/zinc/02/27/00/343022700.db2.gz FELAXHGUNUOFBT-MXWKQRLJSA-N 2 0 227.352 0.426 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]([NH3+])C(C)(C)C ZINC000162624027 349755757 /nfs/dbraw/zinc/75/57/57/349755757.db2.gz IKVAGNPNOUPVCD-JTQLQIEISA-N 2 0 229.368 0.818 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000309452918 259343559 /nfs/dbraw/zinc/34/35/59/259343559.db2.gz MYYQJIYFBMGOKO-OPRDCNLKSA-N 2 0 213.325 0.084 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000562809214 323031060 /nfs/dbraw/zinc/03/10/60/323031060.db2.gz CXTPKVWRDCFVJI-WRWGMCAJSA-N 2 0 239.363 0.428 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000576877098 365698782 /nfs/dbraw/zinc/69/87/82/365698782.db2.gz YVHJFEYKHVZFJR-VLEAKVRGSA-N 2 0 227.352 0.617 20 0 BCADRP CC[C@@](C)([NH3+])c1cn(CC[NH+]2CCCC2)nn1 ZINC000384202132 343064321 /nfs/dbraw/zinc/06/43/21/343064321.db2.gz LXVFALAYYHKRFU-GFCCVEGCSA-N 2 0 237.351 0.958 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000139799589 343067508 /nfs/dbraw/zinc/06/75/08/343067508.db2.gz KLWLCFKLQPMCHP-KOLCDFICSA-N 2 0 227.352 0.476 20 0 BCADRP CC[C@@H](C(N)=O)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000082475128 362024882 /nfs/dbraw/zinc/02/48/82/362024882.db2.gz ITMADUDRDDMTJN-WPRPVWTQSA-N 2 0 213.325 0.310 20 0 BCADRP [NH3+][C@H]1CC=C(c2nc(C3([NH3+])CCC3)no2)C1 ZINC000634556620 362046435 /nfs/dbraw/zinc/04/64/35/362046435.db2.gz YVMWFEZYPWCRIQ-QMMMGPOBSA-N 2 0 220.276 0.912 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236609463 343103602 /nfs/dbraw/zinc/10/36/02/343103602.db2.gz KCPJNVGWXHCCGI-SNVBAGLBSA-N 2 0 227.352 0.477 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C[NH+](C)C ZINC000168498305 136268033 /nfs/dbraw/zinc/26/80/33/136268033.db2.gz XBQQXTXXYVFTCA-UHFFFAOYSA-N 2 0 201.314 0.182 20 0 BCADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)C[NH2+]C1CC1 ZINC000237025653 343119930 /nfs/dbraw/zinc/11/99/30/343119930.db2.gz SJFPFTIEGZDATF-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]CCNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000237049666 343121758 /nfs/dbraw/zinc/12/17/58/343121758.db2.gz RHNPWMQOVAPTJV-GHMZBOCLSA-N 2 0 227.352 0.348 20 0 BCADRP CC[NH2+]CC1CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC000082645689 362074182 /nfs/dbraw/zinc/07/41/82/362074182.db2.gz OZYHJGRYUZHZRD-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000082645679 362074331 /nfs/dbraw/zinc/07/43/31/362074331.db2.gz RSGXAXUCNGKPPY-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000236938697 343115640 /nfs/dbraw/zinc/11/56/40/343115640.db2.gz UVLQEEXDMCPLPC-CYBMUJFWSA-N 2 0 247.342 0.599 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC000236996448 343117138 /nfs/dbraw/zinc/11/71/38/343117138.db2.gz NUBRPXGZIORQOJ-ONGXEEELSA-N 2 0 227.352 0.557 20 0 BCADRP [NH3+]CCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000050285691 343146030 /nfs/dbraw/zinc/14/60/30/343146030.db2.gz IMMMWZUEFJEPSC-UHFFFAOYSA-N 2 0 207.277 0.823 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000092950486 343148772 /nfs/dbraw/zinc/14/87/72/343148772.db2.gz FVFCUTADTXIIIY-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)[NH2+]CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246605577 343122930 /nfs/dbraw/zinc/12/29/30/343122930.db2.gz WIRVFNWGEHGQCD-LBPRGKRZSA-N 2 0 211.353 0.764 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]C2CC2)CC[NH2+]1 ZINC000576875753 365711668 /nfs/dbraw/zinc/71/16/68/365711668.db2.gz ISYKSHYBJBLCMR-QWRGUYRKSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000418687779 192060658 /nfs/dbraw/zinc/06/06/58/192060658.db2.gz AJUCJIZNWDPMAE-XKNYDFJKSA-N 2 0 228.340 0.114 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CC(=O)N1 ZINC000257772180 343126590 /nfs/dbraw/zinc/12/65/90/343126590.db2.gz DCLSZDXICGSRTG-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237124051 343127286 /nfs/dbraw/zinc/12/72/86/343127286.db2.gz YGURNYYKGSRVQT-VHSXEESVSA-N 2 0 245.392 0.053 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000237291369 343132362 /nfs/dbraw/zinc/13/23/62/343132362.db2.gz SPUMCBQZCAJMGV-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)CCC[NH2+]C ZINC000308887766 346928730 /nfs/dbraw/zinc/92/87/30/346928730.db2.gz UVHUXNPWAGLCIK-SECBINFHSA-N 2 0 201.314 0.100 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237319423 343134576 /nfs/dbraw/zinc/13/45/76/343134576.db2.gz ZYUXPOAKFFBACJ-WDEREUQCSA-N 2 0 227.352 0.348 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000237347856 343134923 /nfs/dbraw/zinc/13/49/23/343134923.db2.gz RSBQWDKSULRVKD-KWQFWETISA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000237361793 343135120 /nfs/dbraw/zinc/13/51/20/343135120.db2.gz LNYHFCCJZCFORA-GWCFXTLKSA-N 2 0 247.342 0.584 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)CCC1CC[NH2+]CC1 ZINC000237411964 343138141 /nfs/dbraw/zinc/13/81/41/343138141.db2.gz GVYRNYHEAPZRDD-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000308894948 346930074 /nfs/dbraw/zinc/93/00/74/346930074.db2.gz IQPVCOGPOGLNBI-VXGBXAGGSA-N 2 0 212.337 0.785 20 0 BCADRP C[NH2+]CCN(C)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000576942040 365727834 /nfs/dbraw/zinc/72/78/34/365727834.db2.gz SANRUEYVSMGWHT-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NC(C)(C)C[NH+](C)C ZINC000418693314 192061138 /nfs/dbraw/zinc/06/11/38/192061138.db2.gz GSRJNDZWVTVIGF-BDAKNGLRSA-N 2 0 230.356 0.362 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)[C@@H]([NH3+])c1ccccc1 ZINC000237585673 343151922 /nfs/dbraw/zinc/15/19/22/343151922.db2.gz WFNAPAKLWLVHNH-RAIGVLPGSA-N 2 0 247.342 0.882 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000580549944 365740268 /nfs/dbraw/zinc/74/02/68/365740268.db2.gz VVZHBBAMHWCCRI-GUBZILKMSA-N 2 0 245.392 0.263 20 0 BCADRP C[C@@]1(C(=O)N2CCC[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000237484397 136272205 /nfs/dbraw/zinc/27/22/05/136272205.db2.gz GVCBIEDHQZIZRK-DGCLKSJQSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000237463637 136272337 /nfs/dbraw/zinc/27/23/37/136272337.db2.gz PEYBLINOGHQUTJ-YPMHNXCESA-N 2 0 249.358 0.623 20 0 BCADRP C[C@@H](CC(=O)NCCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000127258460 343172457 /nfs/dbraw/zinc/17/24/57/343172457.db2.gz MOFXZFZKCSRXGA-NWDGAFQWSA-N 2 0 241.379 0.867 20 0 BCADRP COc1c(N)ncnc1NC1CC[NH+](C)CC1 ZINC000134823029 343195691 /nfs/dbraw/zinc/19/56/91/343195691.db2.gz LTZODFZWBHPCBV-UHFFFAOYSA-N 2 0 237.307 0.574 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCC1 ZINC000148270865 343195968 /nfs/dbraw/zinc/19/59/68/343195968.db2.gz SQINGTHWGPOOME-LLVKDONJSA-N 2 0 237.347 0.565 20 0 BCADRP CCCN(C(=O)[C@@H]([NH3+])CC)[C@@H]1CC[NH2+]C1 ZINC000178408195 136274763 /nfs/dbraw/zinc/27/47/63/136274763.db2.gz OMIJXRMNDDUHLV-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000161052805 343203919 /nfs/dbraw/zinc/20/39/19/343203919.db2.gz QNJKTHDAKKIXOG-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000161019066 343204272 /nfs/dbraw/zinc/20/42/72/343204272.db2.gz IZAWSQWZDAUOGW-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+][C@@H]1CC[C@@H](C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000237990042 343222399 /nfs/dbraw/zinc/22/23/99/343222399.db2.gz QTAACFJSWTWMIS-QJPTWQEYSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H](NC(=O)C[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000167909068 343209513 /nfs/dbraw/zinc/20/95/13/343209513.db2.gz WSQVIEBXQSTBSX-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)N(C)C)C1 ZINC000168558374 343210372 /nfs/dbraw/zinc/21/03/72/343210372.db2.gz ODKKJJWPPUYQQK-UWVGGRQHSA-N 2 0 213.325 0.134 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[NH2+]CC1 ZINC000134481428 343194562 /nfs/dbraw/zinc/19/45/62/343194562.db2.gz BEBZAGNVXXEBGP-LLVKDONJSA-N 2 0 225.336 0.198 20 0 BCADRP C[NH2+]CCCN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000087472166 136281570 /nfs/dbraw/zinc/28/15/70/136281570.db2.gz MGBKNRQFGGENLZ-GFCCVEGCSA-N 2 0 211.353 0.764 20 0 BCADRP C[NH+](CCCO)CCC[N@H+](C)CCCO ZINC000039274210 343229949 /nfs/dbraw/zinc/22/99/49/343229949.db2.gz HATGVANQYVSMKH-UHFFFAOYSA-N 2 0 218.341 0.005 20 0 BCADRP [NH3+]CC1(C(=O)NC[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000238006761 343237456 /nfs/dbraw/zinc/23/74/56/343237456.db2.gz OVFDWFMKVQUEQJ-LLVKDONJSA-N 2 0 239.363 0.621 20 0 BCADRP Cn1nccc1CC[NH2+][C@](C)(CN)C1CC1 ZINC000634687321 343240819 /nfs/dbraw/zinc/24/08/19/343240819.db2.gz GWHYBFSKVJIEJY-GFCCVEGCSA-N 2 0 222.336 0.680 20 0 BCADRP CC[N@H+](CCNC(=O)[C@]1(C)CCC[NH2+]1)C1CC1 ZINC000121401505 343266528 /nfs/dbraw/zinc/26/65/28/343266528.db2.gz SHRPNHCQYZXVHO-ZDUSSCGKSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418702973 192062052 /nfs/dbraw/zinc/06/20/52/192062052.db2.gz QIDJSUZDNCBMFN-VLEAKVRGSA-N 2 0 242.367 0.633 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C[C@H]1CCC[C@@H]1[NH3+] ZINC000340083209 136286065 /nfs/dbraw/zinc/28/60/65/136286065.db2.gz RCTDMAKDEADMFZ-AXFHLTTASA-N 2 0 227.352 0.476 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000020217841 343280089 /nfs/dbraw/zinc/28/00/89/343280089.db2.gz BESCCYVNRMPBFO-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000069839433 343292351 /nfs/dbraw/zinc/29/23/51/343292351.db2.gz CJQUYKZSRQOZAG-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP NC(=O)CC[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000584048778 343306387 /nfs/dbraw/zinc/30/63/87/343306387.db2.gz GTJOKHMGZDMYOR-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NCCC[NH2+]C2CC2)C1 ZINC000584064139 343313020 /nfs/dbraw/zinc/31/30/20/343313020.db2.gz PUGQKCGSJGGZFK-PWSUYJOCSA-N 2 0 211.353 0.988 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NCCC[NH2+]C2CC2)C1 ZINC000584064138 343313157 /nfs/dbraw/zinc/31/31/57/343313157.db2.gz PUGQKCGSJGGZFK-JQWIXIFHSA-N 2 0 211.353 0.988 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000569821202 323041670 /nfs/dbraw/zinc/04/16/70/323041670.db2.gz ZOJHQAJABYIWMO-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000335638362 136302851 /nfs/dbraw/zinc/30/28/51/136302851.db2.gz KJBSXULNJMXPBQ-MWLCHTKSSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1CCNC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335638490 136303013 /nfs/dbraw/zinc/30/30/13/136303013.db2.gz SIPVKEIWDLKHSY-HBIQZDMRSA-N 2 0 211.353 0.844 20 0 BCADRP O=C1C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)CN1C1CC1 ZINC000335649455 136304536 /nfs/dbraw/zinc/30/45/36/136304536.db2.gz NWEDMDNZVUWDNK-GHMZBOCLSA-N 2 0 237.347 0.481 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000569860103 323043315 /nfs/dbraw/zinc/04/33/15/323043315.db2.gz OJOGYJYYBGYTFJ-UHFFFAOYSA-N 2 0 239.363 0.701 20 0 BCADRP CN(CC1CC[NH+](C)CC1)C(=O)C1(C)C[NH2+]C1 ZINC000335650925 136305260 /nfs/dbraw/zinc/30/52/60/136305260.db2.gz WMEDJKFLFWNWIH-UHFFFAOYSA-N 2 0 239.363 0.396 20 0 BCADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CCC[NH2+]1 ZINC000335654041 136305993 /nfs/dbraw/zinc/30/59/93/136305993.db2.gz QAZCSKBBGIQIKB-GFCCVEGCSA-N 2 0 231.299 0.980 20 0 BCADRP C[C@@H]1CCN(C(=O)C(C)(C)[NH3+])C[C@H]1C[NH3+] ZINC000335659233 136307190 /nfs/dbraw/zinc/30/71/90/136307190.db2.gz ZPBCBSUDAOQPSI-RKDXNWHRSA-N 2 0 213.325 0.167 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)CC[NH3+])CC1 ZINC000335642633 136308757 /nfs/dbraw/zinc/30/87/57/136308757.db2.gz ZMCWLABQHFSLHZ-GFCCVEGCSA-N 2 0 239.363 0.572 20 0 BCADRP COCCOCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000166231056 136315396 /nfs/dbraw/zinc/31/53/96/136315396.db2.gz YHYUMLOTWXLBHV-QWRGUYRKSA-N 2 0 216.325 0.319 20 0 BCADRP CC[C@H](C)NC(=O)CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166232980 136316043 /nfs/dbraw/zinc/31/60/43/136316043.db2.gz CZDZAXUTUMIHSB-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000335663825 136316057 /nfs/dbraw/zinc/31/60/57/136316057.db2.gz ZBOUVYZIXHNSID-PHIMTYICSA-N 2 0 237.347 0.326 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C[NH+](C)C)CC[N@@H+]1C ZINC000335687496 136323616 /nfs/dbraw/zinc/32/36/16/136323616.db2.gz AIJRADXBQLFFAG-ZJUUUORDSA-N 2 0 213.325 0.147 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)CC[NH2+]C1CC1 ZINC000041680119 343422695 /nfs/dbraw/zinc/42/26/95/343422695.db2.gz DZBKPMCZWRBSEI-LLVKDONJSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000151773243 343414677 /nfs/dbraw/zinc/41/46/77/343414677.db2.gz NKEPSQULFUMUJZ-LBPRGKRZSA-N 2 0 227.352 0.490 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000418705554 192063051 /nfs/dbraw/zinc/06/30/51/192063051.db2.gz DWYJVXRAPYBJAV-VWYCJHECSA-N 2 0 242.367 0.493 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH3+])C1 ZINC000166354394 136352266 /nfs/dbraw/zinc/35/22/66/136352266.db2.gz HYAFWPUHZFKSDY-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP CC[N@H+](CC(=O)NCC[NH+](C)C(C)C)C1CC1 ZINC000152565655 323047418 /nfs/dbraw/zinc/04/74/18/323047418.db2.gz XIIVVTBBSROGPF-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCCO)C1 ZINC000350244464 136356970 /nfs/dbraw/zinc/35/69/70/136356970.db2.gz CWZNMNXJZOGROW-ZDUSSCGKSA-N 2 0 244.379 0.802 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000310344641 343451352 /nfs/dbraw/zinc/45/13/52/343451352.db2.gz DWWSXALQQNPCNV-RKDXNWHRSA-N 2 0 249.305 0.522 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000166636718 136362251 /nfs/dbraw/zinc/36/22/51/136362251.db2.gz OSUMFKHRRBLBKP-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP CN(C)C(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247984922 136373515 /nfs/dbraw/zinc/37/35/15/136373515.db2.gz ISHDFRFEYUIJPW-NWDGAFQWSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)C ZINC000616489209 343475337 /nfs/dbraw/zinc/47/53/37/343475337.db2.gz RTAJQCKFFCHFBT-MNOVXSKESA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H](CNC(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000616488260 343470635 /nfs/dbraw/zinc/47/06/35/343470635.db2.gz CJONQAVTFUSYPI-IUCAKERBSA-N 2 0 201.314 0.003 20 0 BCADRP [NH3+]CC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000083960726 343511403 /nfs/dbraw/zinc/51/14/03/343511403.db2.gz HFBIUABEUFXVMK-UHFFFAOYSA-N 2 0 225.336 0.422 20 0 BCADRP CCC[N@@H+]1CCCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000083961258 343511647 /nfs/dbraw/zinc/51/16/47/343511647.db2.gz VSEFQNLISZEQQA-SNVBAGLBSA-N 2 0 213.325 0.278 20 0 BCADRP CC(C)C[N@@H+]1CCCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000083961327 343511694 /nfs/dbraw/zinc/51/16/94/343511694.db2.gz KPYCVRNGFXASDU-NSHDSACASA-N 2 0 227.352 0.524 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN(C)C[C@H]1CCC[NH+]1C ZINC000310490056 343515166 /nfs/dbraw/zinc/51/51/66/343515166.db2.gz FTJCQIUIIDYLIM-OLZOCXBDSA-N 2 0 243.395 0.325 20 0 BCADRP CC[NH+]1CCC(CNC(=O)[C@@H](C)C[NH3+])CC1 ZINC000044808406 343515223 /nfs/dbraw/zinc/51/52/23/343515223.db2.gz INLQACWHZYHSOA-JTQLQIEISA-N 2 0 227.352 0.429 20 0 BCADRP C[NH+](C)C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC000622721496 343574130 /nfs/dbraw/zinc/57/41/30/343574130.db2.gz TXSHKBGFCCNOLW-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000580560671 365764599 /nfs/dbraw/zinc/76/45/99/365764599.db2.gz RTCKIRRXNWXCLE-BJDJZHNGSA-N 2 0 237.347 0.052 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2cn[nH]c2)C1 ZINC000379585170 343577644 /nfs/dbraw/zinc/57/76/44/343577644.db2.gz XPGYOKJUCCUYEO-WDEREUQCSA-N 2 0 208.309 0.812 20 0 BCADRP C[C@H]([NH2+]CC1COC1)C1CC[NH+](C)CC1 ZINC000624234002 343570569 /nfs/dbraw/zinc/57/05/69/343570569.db2.gz MFJIVFVILQCPKZ-JTQLQIEISA-N 2 0 212.337 0.953 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cnnn1C ZINC000577026125 365773645 /nfs/dbraw/zinc/77/36/45/365773645.db2.gz ITJZORMDUZQACS-CMPLNLGQSA-N 2 0 237.351 0.587 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000086068251 343609342 /nfs/dbraw/zinc/60/93/42/343609342.db2.gz KUMHVVFRFMWLPZ-ZJUUUORDSA-N 2 0 215.341 0.298 20 0 BCADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)C2CC2)CC1 ZINC000047915442 343645141 /nfs/dbraw/zinc/64/51/41/343645141.db2.gz XQIZGEXPBJODKK-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP COC[C@@H]([NH2+]CCC[NH+](C)C)C1CC1 ZINC000087477410 343650027 /nfs/dbraw/zinc/65/00/27/343650027.db2.gz ZNUHHYOFNLVUML-LLVKDONJSA-N 2 0 200.326 0.953 20 0 BCADRP CC[C@H](C(=O)OC)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379944390 343658270 /nfs/dbraw/zinc/65/82/70/343658270.db2.gz QDESUNRMEHMVLW-KXUCPTDWSA-N 2 0 212.293 0.089 20 0 BCADRP CC[C@@H](C(=O)OC)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379944371 343658475 /nfs/dbraw/zinc/65/84/75/343658475.db2.gz QDESUNRMEHMVLW-AEJSXWLSSA-N 2 0 212.293 0.089 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000309513427 343661637 /nfs/dbraw/zinc/66/16/37/343661637.db2.gz XYOUJKGTOXRBDF-UWVGGRQHSA-N 2 0 213.325 0.372 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000557214127 343669883 /nfs/dbraw/zinc/66/98/83/343669883.db2.gz WVRWZTBTBYNRGF-LLVKDONJSA-N 2 0 242.367 0.507 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000557207949 343670040 /nfs/dbraw/zinc/67/00/40/343670040.db2.gz ISSQNEOCCKKFQD-JTQLQIEISA-N 2 0 228.340 0.023 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621653072 343693148 /nfs/dbraw/zinc/69/31/48/343693148.db2.gz OSKWDRDIESXVOD-GHMZBOCLSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC1([NH3+])CCC1 ZINC000584111438 343696249 /nfs/dbraw/zinc/69/62/49/343696249.db2.gz DPJCHBUDUAMSNE-BDAKNGLRSA-N 2 0 228.340 0.293 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC[C@H](C)[NH3+] ZINC000584111935 343697259 /nfs/dbraw/zinc/69/72/59/343697259.db2.gz DJZOUHAPHIEZTC-YIZRAAEISA-N 2 0 216.329 0.149 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000584112626 343697645 /nfs/dbraw/zinc/69/76/45/343697645.db2.gz ZLKIKIFVYWOVSD-DCAQKATOSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]CCC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000309014362 346954846 /nfs/dbraw/zinc/95/48/46/346954846.db2.gz TTWKXEWYFCELQK-JTQLQIEISA-N 2 0 201.314 0.086 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N(C)CC[NH+]1CCCC1 ZINC000418714456 192063886 /nfs/dbraw/zinc/06/38/86/192063886.db2.gz QIGRQIYWFIARGZ-LLVKDONJSA-N 2 0 242.367 0.461 20 0 BCADRP CC[NH+](CC)CC1CC[NH+](CC(N)=O)CC1 ZINC000047978561 343681702 /nfs/dbraw/zinc/68/17/02/343681702.db2.gz QAEHGVGJCQGNQT-UHFFFAOYSA-N 2 0 227.352 0.526 20 0 BCADRP Cn1nccc1CC[N@@H+]1CCc2nc[nH]c2C1 ZINC000625437449 343740041 /nfs/dbraw/zinc/74/00/41/343740041.db2.gz RRJDSHDAGMNBDH-UHFFFAOYSA-N 2 0 231.303 0.744 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000247317883 343715155 /nfs/dbraw/zinc/71/51/55/343715155.db2.gz RYUBZJSUGMRYIX-SRVKXCTJSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000418732617 192064933 /nfs/dbraw/zinc/06/49/33/192064933.db2.gz QVARCWANPOBPPN-UWVGGRQHSA-N 2 0 228.340 0.247 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000418732616 192064825 /nfs/dbraw/zinc/06/48/25/192064825.db2.gz QVARCWANPOBPPN-NXEZZACHSA-N 2 0 228.340 0.247 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000418726969 192064956 /nfs/dbraw/zinc/06/49/56/192064956.db2.gz LYEIPOCWMIFTQT-LLVKDONJSA-N 2 0 244.383 0.705 20 0 BCADRP CCCCOCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088329842 343723090 /nfs/dbraw/zinc/72/30/90/343723090.db2.gz DUICHIIQLGALHJ-RYUDHWBXSA-N 2 0 212.337 0.954 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000418732619 192065069 /nfs/dbraw/zinc/06/50/69/192065069.db2.gz QVARCWANPOBPPN-ZJUUUORDSA-N 2 0 228.340 0.247 20 0 BCADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000584177652 343769613 /nfs/dbraw/zinc/76/96/13/343769613.db2.gz IAICKTWMZCUTKV-LBPRGKRZSA-N 3 0 241.379 0.032 20 0 BCADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1C[NH2+]C1 ZINC000584225976 343775024 /nfs/dbraw/zinc/77/50/24/343775024.db2.gz UUNYDMNJGINCJB-MFKMUULPSA-N 2 0 219.332 0.506 20 0 BCADRP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000584231242 343776520 /nfs/dbraw/zinc/77/65/20/343776520.db2.gz JAJATOCRZWVJHZ-SDDRHHMPSA-N 2 0 237.347 0.100 20 0 BCADRP [NH3+][C@@H]1CC[C@@H](C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000576508663 343752328 /nfs/dbraw/zinc/75/23/28/343752328.db2.gz QTAACFJSWTWMIS-IJLUTSLNSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC000584120515 343761868 /nfs/dbraw/zinc/76/18/68/343761868.db2.gz BXJQDJPYVPMUTF-NSHDSACASA-N 2 0 227.352 0.557 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC000570424835 323059409 /nfs/dbraw/zinc/05/94/09/323059409.db2.gz SRUVHBWUHTZWGV-VXGBXAGGSA-N 2 0 239.363 0.491 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000418735496 192065989 /nfs/dbraw/zinc/06/59/89/192065989.db2.gz SUVVTORZEQNKSB-AXFHLTTASA-N 2 0 242.367 0.493 20 0 BCADRP C[NH+](C)CCNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418768459 192067016 /nfs/dbraw/zinc/06/70/16/192067016.db2.gz MFDGAKNULTYBGU-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000381040875 343871306 /nfs/dbraw/zinc/87/13/06/343871306.db2.gz CEGTYUWTQZBBGP-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H](C(=O)N(C)[C@H](C[NH3+])C1CC1)C1C[NH2+]C1 ZINC000577061528 365799420 /nfs/dbraw/zinc/79/94/20/365799420.db2.gz UNYIEDWHALQUOR-GZMMTYOYSA-N 2 0 225.336 0.038 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000621784313 343909075 /nfs/dbraw/zinc/90/90/75/343909075.db2.gz MXHMIKYVOSEVRB-XQQFMLRXSA-N 3 0 223.364 0.799 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H](C)[NH3+] ZINC000069838892 344041696 /nfs/dbraw/zinc/04/16/96/344041696.db2.gz BUONTMXCURYTAB-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000335890060 344044179 /nfs/dbraw/zinc/04/41/79/344044179.db2.gz DOGWKUOUJPXVDL-ZWNOBZJWSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000129080446 343962065 /nfs/dbraw/zinc/96/20/65/343962065.db2.gz BJZKZIASKQLPOK-SECBINFHSA-N 2 0 201.314 0.228 20 0 BCADRP C[NH2+]C(C)(C)c1cn(CC2CC[NH2+]CC2)nn1 ZINC000641233756 362286179 /nfs/dbraw/zinc/28/61/79/362286179.db2.gz XYIMZEKUGPCYDP-UHFFFAOYSA-N 2 0 237.351 0.732 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(C[NH2+]C)CC1 ZINC000155242247 344108736 /nfs/dbraw/zinc/10/87/36/344108736.db2.gz PTBQICOINHJXMK-PWSUYJOCSA-N 2 0 241.379 0.818 20 0 BCADRP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](C)CC1 ZINC000335915618 344086160 /nfs/dbraw/zinc/08/61/60/344086160.db2.gz UHQJMTDQTGILKV-LBPRGKRZSA-N 2 0 211.353 0.718 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](C)CC1 ZINC000335915617 344086428 /nfs/dbraw/zinc/08/64/28/344086428.db2.gz UHQJMTDQTGILKV-GFCCVEGCSA-N 2 0 211.353 0.718 20 0 BCADRP C[C@H]1C[C@H](C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC000634735319 344121945 /nfs/dbraw/zinc/12/19/45/344121945.db2.gz CFBIBVHLBKPZOJ-QNWHQSFQSA-N 2 0 224.348 0.953 20 0 BCADRP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CC[NH2+]1 ZINC000634735321 344122132 /nfs/dbraw/zinc/12/21/32/344122132.db2.gz CFBIBVHLBKPZOJ-ZDEQEGDKSA-N 2 0 224.348 0.953 20 0 BCADRP CCC[NH+]1CCC(CNC(=O)[C@H]([NH3+])CC)CC1 ZINC000130383861 344135084 /nfs/dbraw/zinc/13/50/84/344135084.db2.gz OUYZEYPDGBKCEY-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000129085303 344209854 /nfs/dbraw/zinc/20/98/54/344209854.db2.gz YQELTNROUAZZPB-LPEHRKFASA-N 2 0 213.325 0.310 20 0 BCADRP c1cn(CCC[NH2+]CC2CC[NH2+]CC2)cn1 ZINC000086700417 344221391 /nfs/dbraw/zinc/22/13/91/344221391.db2.gz OZDDHJFGRHZKER-UHFFFAOYSA-N 2 0 222.336 0.862 20 0 BCADRP C[C@@H]1C[C@@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000130952280 344225797 /nfs/dbraw/zinc/22/57/97/344225797.db2.gz MKZKCWBJRMDKOU-UTUOFQBUSA-N 2 0 212.337 0.689 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000622044768 344229422 /nfs/dbraw/zinc/22/94/22/344229422.db2.gz RXVFYYFFOCQRML-XQQFMLRXSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000131867183 344237110 /nfs/dbraw/zinc/23/71/10/344237110.db2.gz VIRQEYHEBSIUAZ-UWVGGRQHSA-N 2 0 213.325 0.100 20 0 BCADRP COC(=O)C(C)(C)CC[N@H+](C)CCC[NH3+] ZINC000381201065 344186174 /nfs/dbraw/zinc/18/61/74/344186174.db2.gz CDAGAFYTOAAOAL-UHFFFAOYSA-N 2 0 216.325 0.856 20 0 BCADRP Cn1cc(C[N@H+](C)CC[C@H]2CC[NH2+]C2)cn1 ZINC000084385207 344191418 /nfs/dbraw/zinc/19/14/18/344191418.db2.gz LQHIHFJWMOWHHR-LLVKDONJSA-N 2 0 222.336 0.852 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000131918868 344238826 /nfs/dbraw/zinc/23/88/26/344238826.db2.gz YATUSJQNFLMSAM-NXEZZACHSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000573475949 344275262 /nfs/dbraw/zinc/27/52/62/344275262.db2.gz APXDVPNAHPSLLZ-NHCYSSNCSA-N 2 0 227.352 0.476 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634765345 344276118 /nfs/dbraw/zinc/27/61/18/344276118.db2.gz PSDBEECTROHCBS-UMNHJUIQSA-N 2 0 225.336 0.100 20 0 BCADRP O=C(C[NH2+]CC1CC1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634765224 344276159 /nfs/dbraw/zinc/27/61/59/344276159.db2.gz MTBJGIMFTLVKNA-YPMHNXCESA-N 2 0 237.347 0.244 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634765344 344276231 /nfs/dbraw/zinc/27/62/31/344276231.db2.gz PSDBEECTROHCBS-FOGDFJRCSA-N 2 0 225.336 0.100 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634765098 344276255 /nfs/dbraw/zinc/27/62/55/344276255.db2.gz JZPSPVYDRYAXFH-QWRGUYRKSA-N 2 0 241.379 0.879 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000381250283 344278958 /nfs/dbraw/zinc/27/89/58/344278958.db2.gz PFLUXLAHGWXHSX-VHSXEESVSA-N 2 0 215.341 0.474 20 0 BCADRP [NH3+]CCCCC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768246 344280224 /nfs/dbraw/zinc/28/02/24/344280224.db2.gz BZZHEPHAONDLIJ-PWSUYJOCSA-N 2 0 225.336 0.374 20 0 BCADRP O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@H]1C[C@]12CC[NH2+]C2 ZINC000634768331 344280546 /nfs/dbraw/zinc/28/05/46/344280546.db2.gz FJRZWGRJORVWMX-RFHZTLPTSA-N 2 0 249.358 0.244 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768789 344280780 /nfs/dbraw/zinc/28/07/80/344280780.db2.gz YVLPMXBFQQTJGW-NOHGZBONSA-N 2 0 237.347 0.243 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779081 344310957 /nfs/dbraw/zinc/31/09/57/344310957.db2.gz BZPOJOHTXZYJRN-FRRDWIJNSA-N 2 0 242.363 0.266 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000133432149 344318567 /nfs/dbraw/zinc/31/85/67/344318567.db2.gz ZQOGHDGLXUMZTL-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)[C@H]1C ZINC000600715025 344365734 /nfs/dbraw/zinc/36/57/34/344365734.db2.gz XDIDNJGTCLNWHS-NNYUYHANSA-N 2 0 240.347 0.916 20 0 BCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000131842255 344334717 /nfs/dbraw/zinc/33/47/17/344334717.db2.gz JLXYQUOUZIFEKG-RYUDHWBXSA-N 2 0 239.363 0.492 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000131853883 344354631 /nfs/dbraw/zinc/35/46/31/344354631.db2.gz UEILGERIDDSBIL-GHMZBOCLSA-N 2 0 227.352 0.583 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC1(C[NH3+])CCCC1 ZINC000131864291 344355326 /nfs/dbraw/zinc/35/53/26/344355326.db2.gz XDEPBCBZARVDJF-UHFFFAOYSA-N 2 0 227.352 0.762 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000131876123 344356817 /nfs/dbraw/zinc/35/68/17/344356817.db2.gz ZJZYCCWDGZRLJC-LBPRGKRZSA-N 2 0 227.352 0.618 20 0 BCADRP COC(=O)CCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000600706307 344360132 /nfs/dbraw/zinc/36/01/32/344360132.db2.gz UEZKHXYKBLCNQS-WDEREUQCSA-N 2 0 228.336 0.999 20 0 BCADRP COC(=O)CCCC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000600712182 344361617 /nfs/dbraw/zinc/36/16/17/344361617.db2.gz XKRJXUNSQJLJPX-LLVKDONJSA-N 2 0 244.335 0.379 20 0 BCADRP C[C@@H]([NH2+][C@@H](C)C1=CC[N@H+](C)CC1)[C@H](C)O ZINC000584287444 344421393 /nfs/dbraw/zinc/42/13/93/344421393.db2.gz KSTCZAMLCOUTKU-VWYCJHECSA-N 2 0 212.337 0.996 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000584290956 344425860 /nfs/dbraw/zinc/42/58/60/344425860.db2.gz QWPXOWASVWKJQR-UWVGGRQHSA-N 2 0 245.392 0.325 20 0 BCADRP Cc1cc(C)n(CCN2C[C@@H]([NH3+])C[C@H]2C)n1 ZINC000385208771 344376489 /nfs/dbraw/zinc/37/64/89/344376489.db2.gz CZKPFHGVXSCNHT-PWSUYJOCSA-N 2 0 222.336 0.921 20 0 BCADRP C[C@@H]1CN(c2cc(-n3ccnc3)ncn2)CC[NH2+]1 ZINC000634807369 344392330 /nfs/dbraw/zinc/39/23/30/344392330.db2.gz IYEAGVJWOQIKAE-SNVBAGLBSA-N 2 0 244.302 0.460 20 0 BCADRP CN(c1ncnc2c1OCCN2)[C@@H](C[NH3+])C1CC1 ZINC000634811669 344396480 /nfs/dbraw/zinc/39/64/80/344396480.db2.gz MVUSWBNAWREREW-VIFPVBQESA-N 2 0 249.318 0.454 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000236825510 344406816 /nfs/dbraw/zinc/40/68/16/344406816.db2.gz DSTPJKKAPQZGJW-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000381460147 344509428 /nfs/dbraw/zinc/50/94/28/344509428.db2.gz KTOCGPZEHXOOQX-WCBMZHEXSA-N 2 0 213.325 0.310 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(C)(C)[NH3+] ZINC000041680131 344439686 /nfs/dbraw/zinc/43/96/86/344439686.db2.gz IRNWBKDDDVLBLG-SECBINFHSA-N 2 0 215.341 0.570 20 0 BCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C[NH2+]C ZINC000236910441 344455319 /nfs/dbraw/zinc/45/53/19/344455319.db2.gz VJWBCGUERNZPQK-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP COC[C@H](C)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000042519556 344457064 /nfs/dbraw/zinc/45/70/64/344457064.db2.gz PRMZYXSKTLODAM-WDEREUQCSA-N 2 0 200.326 0.953 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000564941314 344474449 /nfs/dbraw/zinc/47/44/49/344474449.db2.gz QTKWEKVYQTZIDK-LLVKDONJSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCC[NH3+] ZINC000037001315 344485018 /nfs/dbraw/zinc/48/50/18/344485018.db2.gz RIIJTRSWULHUDL-NSHDSACASA-N 2 0 229.368 0.818 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023750 344487139 /nfs/dbraw/zinc/48/71/39/344487139.db2.gz ZAMSGQAZDDQKKC-TUAOUCFPSA-N 2 0 239.363 0.713 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000037467307 344508294 /nfs/dbraw/zinc/50/82/94/344508294.db2.gz NMOJBYMXWNIQEV-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000037467303 344508327 /nfs/dbraw/zinc/50/83/27/344508327.db2.gz NMOJBYMXWNIQEV-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC[NH+](CC)CC ZINC000037481195 344508981 /nfs/dbraw/zinc/50/89/81/344508981.db2.gz SWOSLTKPBNHIDP-LBPRGKRZSA-N 2 0 229.368 0.962 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)C1CC[NH+](C)CC1 ZINC000044793732 344547727 /nfs/dbraw/zinc/54/77/27/344547727.db2.gz NXAIRWKZSNGWOJ-SECBINFHSA-N 2 0 213.325 0.134 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000037612001 344552584 /nfs/dbraw/zinc/55/25/84/344552584.db2.gz RDHPOTACKIEJDB-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000037649598 344555222 /nfs/dbraw/zinc/55/52/22/344555222.db2.gz JHPZQRJXYCGVEL-JQWIXIFHSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000037821679 344592814 /nfs/dbraw/zinc/59/28/14/344592814.db2.gz SWHWQFQTZOYMIM-GFCCVEGCSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000037824248 344593607 /nfs/dbraw/zinc/59/36/07/344593607.db2.gz ASJNMTPLFJZPMM-WDEREUQCSA-N 2 0 225.336 0.420 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000309784537 259377443 /nfs/dbraw/zinc/37/74/43/259377443.db2.gz NQXXUNHFMVKDMG-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[C@H]1CN(C(=O)NC[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000641474808 362443236 /nfs/dbraw/zinc/44/32/36/362443236.db2.gz LZAPWGUWYHTRNI-GHMZBOCLSA-N 2 0 242.367 0.315 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000641424265 362408822 /nfs/dbraw/zinc/40/88/22/362408822.db2.gz IWIBYJRIKUMXJP-ZJUUUORDSA-N 2 0 228.340 0.069 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000641426706 362410951 /nfs/dbraw/zinc/41/09/51/362410951.db2.gz VWPFKUJCPZJMEG-LLVKDONJSA-N 2 0 242.367 0.459 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H](C)[NH3+] ZINC000641427526 362411890 /nfs/dbraw/zinc/41/18/90/362411890.db2.gz ZOOHFCWZSYFQJU-VHSXEESVSA-N 2 0 228.340 0.069 20 0 BCADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@H](C)[NH3+] ZINC000641425953 362412958 /nfs/dbraw/zinc/41/29/58/362412958.db2.gz QZZMPQHUESBCFV-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000641425690 362412990 /nfs/dbraw/zinc/41/29/90/362412990.db2.gz QTBPNINIZLRYNN-LPEHRKFASA-N 2 0 228.340 0.068 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C[NH2+]C ZINC000237067185 344588882 /nfs/dbraw/zinc/58/88/82/344588882.db2.gz INDQVYNDVMPBDX-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000309443377 347063642 /nfs/dbraw/zinc/06/36/42/347063642.db2.gz KQIZTGRCPPKGRN-KXUCPTDWSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000309443385 347063648 /nfs/dbraw/zinc/06/36/48/347063648.db2.gz KQIZTGRCPPKGRN-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000309460467 347067962 /nfs/dbraw/zinc/06/79/62/347067962.db2.gz ORNQCKSMJIAVOY-LAEOZQHASA-N 2 0 213.325 0.213 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000574276321 344730642 /nfs/dbraw/zinc/73/06/42/344730642.db2.gz VIOZYYCHYUPBMA-XHNCKOQMSA-N 2 0 247.289 0.098 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000309464302 347069015 /nfs/dbraw/zinc/06/90/15/347069015.db2.gz PLRJBRPKXGBQIN-ZJUUUORDSA-N 2 0 213.325 0.169 20 0 BCADRP C[N@H+](CCn1ccnc1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038732 344688351 /nfs/dbraw/zinc/68/83/51/344688351.db2.gz ADIJSINBKXOFNR-AOOOYVTPSA-N 2 0 222.292 0.079 20 0 BCADRP CC(C)[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000318977394 259381517 /nfs/dbraw/zinc/38/15/17/259381517.db2.gz HWWPYFUYCKOPEZ-GFCCVEGCSA-N 2 0 213.369 0.916 20 0 BCADRP OC[C@H]1CCC[N@@H+]1CCC[NH+]1CCC[C@H]1CO ZINC000077317815 344816428 /nfs/dbraw/zinc/81/64/28/344816428.db2.gz NLFDFXLSEISWHZ-BETUJISGSA-N 2 0 242.363 0.290 20 0 BCADRP Cn1cccc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000077450215 344824691 /nfs/dbraw/zinc/82/46/91/344824691.db2.gz PEGWSVIXRZEXGE-UHFFFAOYSA-N 2 0 237.347 0.571 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[C@H](C)[NH3+] ZINC000583379796 344854922 /nfs/dbraw/zinc/85/49/22/344854922.db2.gz QPAGMAVSCORYRC-JFGNBEQYSA-N 2 0 225.336 0.182 20 0 BCADRP CC[NH+](CC)CCC[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248980764 537867437 /nfs/dbraw/zinc/86/74/37/537867437.db2.gz FPABELPOAZCBPY-CHWSQXEVSA-N 2 0 246.395 0.782 20 0 BCADRP COC[C@H](C)C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000583421818 344934215 /nfs/dbraw/zinc/93/42/15/344934215.db2.gz UKNNWAWLXIVZOG-CHWSQXEVSA-N 2 0 244.379 0.705 20 0 BCADRP COC[C@@H](C)C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000583421821 344934400 /nfs/dbraw/zinc/93/44/00/344934400.db2.gz UKNNWAWLXIVZOG-STQMWFEESA-N 2 0 244.379 0.705 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000565005381 344954372 /nfs/dbraw/zinc/95/43/72/344954372.db2.gz SLQFJMQDODNWJB-HOSYDEDBSA-N 2 0 235.331 0.928 20 0 BCADRP COCCn1cc(CN(C)C2CC([NH3+])C2)cn1 ZINC000574691670 344962166 /nfs/dbraw/zinc/96/21/66/344962166.db2.gz LCQXYUZIUHOGKQ-UHFFFAOYSA-N 2 0 238.335 0.451 20 0 BCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000579120363 344940359 /nfs/dbraw/zinc/94/03/59/344940359.db2.gz ABGWTUFGJLDGOP-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP COC[C@H](CO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000234836222 537879817 /nfs/dbraw/zinc/87/98/17/537879817.db2.gz OTSAFYPQXCVRRA-PWSUYJOCSA-N 2 0 230.352 0.314 20 0 BCADRP [NH3+][C@H]1CCC[C@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000574749543 344989457 /nfs/dbraw/zinc/98/94/57/344989457.db2.gz AHHWYLLBRUGCHY-NOHGZBONSA-N 2 0 237.347 0.372 20 0 BCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H](C)[NH2+]1 ZINC000154199058 345017757 /nfs/dbraw/zinc/01/77/57/345017757.db2.gz UUGBWNAYHVFEEH-PHIMTYICSA-N 2 0 239.363 0.537 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000154395774 345030799 /nfs/dbraw/zinc/03/07/99/345030799.db2.gz XDIHQQKFEGDROS-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)CCC1CC[NH2+]CC1 ZINC000154518050 345040435 /nfs/dbraw/zinc/04/04/35/345040435.db2.gz FUZVAGCTBPWESS-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)CCC1CC[NH2+]CC1 ZINC000154517934 345040799 /nfs/dbraw/zinc/04/07/99/345040799.db2.gz FUZVAGCTBPWESS-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C(N1C[C@@H]2CCC[NH2+][C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634993272 345189739 /nfs/dbraw/zinc/18/97/39/345189739.db2.gz PKFYPCPYAWBNHF-CMOBGSAGSA-N 2 0 221.348 0.422 20 0 BCADRP c1cn(CCC[NH2+]CC23CC(C2)C[NH2+]3)cn1 ZINC000634996716 345191375 /nfs/dbraw/zinc/19/13/75/345191375.db2.gz RTRRLOQNIYJYCL-UHFFFAOYSA-N 3 0 220.320 0.615 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000634991301 345173988 /nfs/dbraw/zinc/17/39/88/345173988.db2.gz YHWXBCJHVUYWMO-TUAOUCFPSA-N 2 0 213.369 0.886 20 0 BCADRP C[NH2+]C1CCN(C[C@H](C[NH3+])C(C)C)CC1 ZINC000634990953 345174033 /nfs/dbraw/zinc/17/40/33/345174033.db2.gz IXBLWQUWADFZCY-NSHDSACASA-N 2 0 213.369 0.901 20 0 BCADRP C[C@@H]1[NH2+]CCN(CC23CC(C2)C[NH2+]3)[C@H]1C ZINC000634991447 345177601 /nfs/dbraw/zinc/17/76/01/345177601.db2.gz DXLSZCRABMSWMF-JYBOHDQNSA-N 2 0 209.337 0.421 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000634991736 345178512 /nfs/dbraw/zinc/17/85/12/345178512.db2.gz PVACGGNUJSXGDT-TUAOUCFPSA-N 2 0 229.368 0.265 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634991927 345179232 /nfs/dbraw/zinc/17/92/32/345179232.db2.gz WYAWQJIZZCODQD-QTAHKJALSA-N 2 0 209.337 0.408 20 0 BCADRP C(N1CC[C@H]([NH+]2CCCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634992288 345180257 /nfs/dbraw/zinc/18/02/57/345180257.db2.gz KEKFRXAGWANJLZ-MOKVOYLWSA-N 2 0 235.375 0.909 20 0 BCADRP CN(CC12CC(C1)C[NH2+]2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000634992617 345181306 /nfs/dbraw/zinc/18/13/06/345181306.db2.gz VZPNPWBFDWHMSJ-HRDQMINSSA-N 2 0 235.375 0.907 20 0 BCADRP CC(C)[C@H](C[NH3+])CN[C@@H](C[NH3+])C(F)(F)F ZINC000634996788 345181700 /nfs/dbraw/zinc/18/17/00/345181700.db2.gz VMDZDVDUVOLARB-SFYZADRCSA-N 2 0 227.274 0.697 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(CC34CC(C3)C[NH2+]4)[C@H]2C1 ZINC000634994575 345181964 /nfs/dbraw/zinc/18/19/64/345181964.db2.gz HQHSDNALBOUUEX-DKNRTOFZSA-N 2 0 235.375 0.764 20 0 BCADRP [NH3+]C[C@@H](NCC12CC(C1)C[NH2+]2)C(F)(F)F ZINC000634996808 345182074 /nfs/dbraw/zinc/18/20/74/345182074.db2.gz VXIFYYRYQXMSMM-ZUEIMRROSA-N 2 0 223.242 0.218 20 0 BCADRP C(N1CC[C@@H]2[NH2+]CC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634994805 345182922 /nfs/dbraw/zinc/18/29/22/345182922.db2.gz NARQSSLCKMEDRS-ZFQMDJOTSA-N 2 0 221.348 0.422 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000634995394 345184466 /nfs/dbraw/zinc/18/44/66/345184466.db2.gz CQEIZDIYNPFWCP-SQLBVSGCSA-N 2 0 209.337 0.469 20 0 BCADRP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000634995228 345184626 /nfs/dbraw/zinc/18/46/26/345184626.db2.gz YNFUHJNBDDTBRT-CHWSQXEVSA-N 3 0 225.380 0.903 20 0 BCADRP [NH3+]C[C@@H](NCC12CC(C1)C[NH2+]2)C1CCCC1 ZINC000634995616 345185021 /nfs/dbraw/zinc/18/50/21/345185021.db2.gz KOBQECDIGFSJIE-YXMLORGKSA-N 2 0 223.364 0.846 20 0 BCADRP COCC1(C[NH2+]CC2(C[NH3+])CC2)CC[NH2+]CC1 ZINC000634995591 345185440 /nfs/dbraw/zinc/18/54/40/345185440.db2.gz JSGIJAGVGHVJAN-UHFFFAOYSA-N 3 0 241.379 0.331 20 0 BCADRP CC1(C[NH2+]CC23CC(C2)C[NH2+]3)CC[NH2+]CC1 ZINC000634995879 345186056 /nfs/dbraw/zinc/18/60/56/345186056.db2.gz RSXFQQGVFSXIHM-UHFFFAOYSA-N 3 0 223.364 0.718 20 0 BCADRP CC(C)[C@H](C[NH3+])CN[C@@H](C)C[C@H](C)[NH3+] ZINC000634996922 345186784 /nfs/dbraw/zinc/18/67/84/345186784.db2.gz YYCINICNEMFQFU-GARJFASQSA-N 2 0 201.358 0.933 20 0 BCADRP COC[C@@]1(CNCC23CC(C2)C[NH2+]3)CCC[NH2+]1 ZINC000634996122 345186891 /nfs/dbraw/zinc/18/68/91/345186891.db2.gz ZUTVCAIFSNTQOH-CPCZMJQVSA-N 2 0 239.363 0.097 20 0 BCADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634949563 345125977 /nfs/dbraw/zinc/12/59/77/345125977.db2.gz UWDPVGXJNQVBBH-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP CC(C)[C@@H](C[NH3+])C[NH2+]CCC1(C[NH3+])CC1 ZINC000634996300 345187659 /nfs/dbraw/zinc/18/76/59/345187659.db2.gz GAMBBVFKTJDKMU-NSHDSACASA-N 3 0 213.369 0.936 20 0 BCADRP C(N1CCC[C@@H]2COC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634996216 345187720 /nfs/dbraw/zinc/18/77/20/345187720.db2.gz DCUNHQDNCLWTMJ-QBHFIFKDSA-N 2 0 222.332 0.849 20 0 BCADRP C[C@@H](O)CN(CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634996487 345188390 /nfs/dbraw/zinc/18/83/90/345188390.db2.gz LIZPOQCYRKIHQE-GRZMOONWSA-N 2 0 210.321 0.584 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000381284628 345241673 /nfs/dbraw/zinc/24/16/73/345241673.db2.gz ZFXZELKJQFNVFF-NXEZZACHSA-N 2 0 213.325 0.372 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[NH+](C)C ZINC000635138351 345256753 /nfs/dbraw/zinc/25/67/53/345256753.db2.gz WPRMXELVDVERHM-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000449064205 201801693 /nfs/dbraw/zinc/80/16/93/201801693.db2.gz SZBGHYBTKFPNSM-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[C@H](C[NH3+])C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000634993834 345192082 /nfs/dbraw/zinc/19/20/82/345192082.db2.gz HQLTXGWMTMHSAP-UTUOFQBUSA-N 2 0 211.353 0.369 20 0 BCADRP C[C@H]1C[N@H+](C)[C@@H](C)CN1CC12CC(C1)C[NH2+]2 ZINC000634994216 345192602 /nfs/dbraw/zinc/19/26/02/345192602.db2.gz VWOFQFXFBXWPOL-ZSVAQUKISA-N 2 0 223.364 0.763 20 0 BCADRP CC(C)[C@H](C[NH3+])CNCC1([NH3+])CCOCC1 ZINC000634997136 345193922 /nfs/dbraw/zinc/19/39/22/345193922.db2.gz DRXRVQDJPFOLPG-LLVKDONJSA-N 2 0 229.368 0.315 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)CC[N@@H+]1C ZINC000565042190 345194187 /nfs/dbraw/zinc/19/41/87/345194187.db2.gz XTJUMPKPOBKWKL-WGBDABJCSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@H]1CC[C@@H](NCC23CC(C2)C[NH2+]3)C[NH2+]1 ZINC000634997327 345195601 /nfs/dbraw/zinc/19/56/01/345195601.db2.gz JAZGQKCXEWBWDW-UZEXVOJHSA-N 2 0 209.337 0.469 20 0 BCADRP Cc1n[nH]cc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999556 345200620 /nfs/dbraw/zinc/20/06/20/345200620.db2.gz WCJVOCGKHDEBHF-WCBMZHEXSA-N 2 0 208.309 0.745 20 0 BCADRP C[C@H]1CN(Cc2ccn(C)n2)C[C@H]1C[NH3+] ZINC000634999783 345201347 /nfs/dbraw/zinc/20/13/47/345201347.db2.gz YWEHLAJHRIANGV-VHSXEESVSA-N 2 0 208.309 0.447 20 0 BCADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH+](C)C ZINC000635255023 345289010 /nfs/dbraw/zinc/28/90/10/345289010.db2.gz JIRNSIFNCUOQOW-SNVBAGLBSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000635255884 345289081 /nfs/dbraw/zinc/28/90/81/345289081.db2.gz YCUHWQDGPVPUAW-GHMZBOCLSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[NH+](C)C ZINC000635328522 345309619 /nfs/dbraw/zinc/30/96/19/345309619.db2.gz PCMYYCNBNCVSCB-WOPDTQHZSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C1CC[NH2+]CC1 ZINC000131888729 345311229 /nfs/dbraw/zinc/31/12/29/345311229.db2.gz VFBMYSQVWCMDIP-LLVKDONJSA-N 2 0 227.352 0.476 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000158529318 345345799 /nfs/dbraw/zinc/34/57/99/345345799.db2.gz KQCMRFTWAQBPCZ-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000158550769 345347752 /nfs/dbraw/zinc/34/77/52/345347752.db2.gz NHOBNWLZICSKHF-OUAUKWLOSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000635480531 345388232 /nfs/dbraw/zinc/38/82/32/345388232.db2.gz XPFCZBLQLZMQGT-NEPJUHHUSA-N 2 0 239.363 0.633 20 0 BCADRP CC[NH+]1CCC(CNC(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635415768 345355887 /nfs/dbraw/zinc/35/58/87/345355887.db2.gz KRCHXKJJJITFLB-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635478969 345388590 /nfs/dbraw/zinc/38/85/90/345388590.db2.gz IKQZDRSWUJIRBA-LLVKDONJSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)[NH+](C)C ZINC000635479669 345389469 /nfs/dbraw/zinc/38/94/69/345389469.db2.gz JRKCCGBXXKDLLL-GHMZBOCLSA-N 2 0 227.352 0.489 20 0 BCADRP C[NH2+]Cc1ccccc1NC(=O)[C@@H](C)[NH3+] ZINC000381334847 345374999 /nfs/dbraw/zinc/37/49/99/345374999.db2.gz VIXYOGWWKOVFNY-MRVPVSSYSA-N 2 0 207.277 0.692 20 0 BCADRP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635449792 345376331 /nfs/dbraw/zinc/37/63/31/345376331.db2.gz HZLXWCZQDBMSQI-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000449122428 201814854 /nfs/dbraw/zinc/81/48/54/201814854.db2.gz LIXULBJNKNHSRD-NGZCFLSTSA-N 2 0 225.336 0.371 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000449127456 201815584 /nfs/dbraw/zinc/81/55/84/201815584.db2.gz WSGZGINVBDCCEK-OUAUKWLOSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000381339074 345396231 /nfs/dbraw/zinc/39/62/31/345396231.db2.gz WXGYTVHGTISKSD-GUBZILKMSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)[NH+](C)C)[NH+]1CCCC1 ZINC000635503069 345403219 /nfs/dbraw/zinc/40/32/19/345403219.db2.gz KNJVRRLYLWWNCI-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP C[N@H+](C[C@H]1CCC[NH+](C)C1)CC1(CO)COC1 ZINC000089128031 345548118 /nfs/dbraw/zinc/54/81/18/345548118.db2.gz OKWMFHLNDNWBGT-LBPRGKRZSA-N 2 0 242.363 0.269 20 0 BCADRP C[C@H](C(=O)NCCc1ncc[nH]1)[NH+](C)C ZINC000635545252 345561544 /nfs/dbraw/zinc/56/15/44/345561544.db2.gz QHWCVFSVVOHYPS-MRVPVSSYSA-N 2 0 210.281 0.019 20 0 BCADRP Cn1ccnc1N1CCN(Cc2ncc[nH]2)CC1 ZINC000089926575 345566620 /nfs/dbraw/zinc/56/66/20/345566620.db2.gz RNQCWLAVKKCMAR-UHFFFAOYSA-N 2 0 246.318 0.465 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H](C)[NH+](C)C ZINC000635550171 345595116 /nfs/dbraw/zinc/59/51/16/345595116.db2.gz CSSXNMITJGOVKL-LLVKDONJSA-N 2 0 229.368 0.785 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC1(C)CC[NH2+]CC1 ZINC000563092324 323091805 /nfs/dbraw/zinc/09/18/05/323091805.db2.gz MKJCMIVNQWQYIT-NXEZZACHSA-N 2 0 242.367 0.554 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000563107736 323092741 /nfs/dbraw/zinc/09/27/41/323092741.db2.gz ZTKUJWVONNQGOH-QWRGUYRKSA-N 2 0 227.352 0.489 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000563116567 323093322 /nfs/dbraw/zinc/09/33/22/323093322.db2.gz JFWBVAGWQHWYPV-MIMYLULJSA-N 2 0 225.336 0.357 20 0 BCADRP [NH3+]CCCCC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000563116643 323093354 /nfs/dbraw/zinc/09/33/54/323093354.db2.gz KOLOPFMEIINKRV-MNOVXSKESA-N 2 0 227.352 0.749 20 0 BCADRP C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000635558451 345735779 /nfs/dbraw/zinc/73/57/79/345735779.db2.gz LFWMXKIJPYCUBU-NXEZZACHSA-N 2 0 213.325 0.147 20 0 BCADRP Cn1nccc1CC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000236080946 537910261 /nfs/dbraw/zinc/91/02/61/537910261.db2.gz NQIQYZHRYONNRM-GFCCVEGCSA-N 2 0 222.336 0.633 20 0 BCADRP C[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000635571787 345825173 /nfs/dbraw/zinc/82/51/73/345825173.db2.gz YUAWTYUMNQRPBP-VXGBXAGGSA-N 2 0 241.379 0.737 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000563160311 323097426 /nfs/dbraw/zinc/09/74/26/323097426.db2.gz JLLMYQMDIYQLSH-SRVKXCTJSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000635602285 345888268 /nfs/dbraw/zinc/88/82/68/345888268.db2.gz GYZDJBLWVRFVIG-UTUOFQBUSA-N 2 0 241.379 0.878 20 0 BCADRP COCCC[N@H+](C)CCNC(=O)[C@@H](C)[NH+](C)C ZINC000635607654 345890721 /nfs/dbraw/zinc/89/07/21/345890721.db2.gz PTRRBQVEVQTJPT-LLVKDONJSA-N 2 0 245.367 0.021 20 0 BCADRP C[C@H](C(=O)NCC[N@@H+]1CC[C@H](C)C1)[NH+](C)C ZINC000635636036 345910788 /nfs/dbraw/zinc/91/07/88/345910788.db2.gz XBENFMBNQYXGDJ-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP CCCN(C(=O)C1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000178407982 345914701 /nfs/dbraw/zinc/91/47/01/345914701.db2.gz NNOZAWBJVOJERU-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000178408405 345914747 /nfs/dbraw/zinc/91/47/47/345914747.db2.gz LGTYHQVYMJTAJC-WDEREUQCSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178844625 345918373 /nfs/dbraw/zinc/91/83/73/345918373.db2.gz BDHHFYYLEVBRQW-UWVGGRQHSA-N 2 0 227.352 0.428 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)NCC[C@H]1CC[NH2+]C1 ZINC000178957088 345918397 /nfs/dbraw/zinc/91/83/97/345918397.db2.gz FVOLEZUXXPEFID-GHMZBOCLSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000381455651 345936748 /nfs/dbraw/zinc/93/67/48/345936748.db2.gz JIWSAHZARPJILL-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000567925303 323101495 /nfs/dbraw/zinc/10/14/95/323101495.db2.gz ITMDTTRVCJPGQB-YIZRAAEISA-N 2 0 233.381 0.309 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)[NH+](C)C ZINC000635781286 346055771 /nfs/dbraw/zinc/05/57/71/346055771.db2.gz ZNHZVHLGTLQRJQ-IJLUTSLNSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)[NH+](C)C ZINC000635781288 346055921 /nfs/dbraw/zinc/05/59/21/346055921.db2.gz ZNHZVHLGTLQRJQ-WOPDTQHZSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H](C(=O)N(C)CCC[NH+](C)C)[NH+](C)C ZINC000635768314 346058846 /nfs/dbraw/zinc/05/88/46/346058846.db2.gz GLPXEGJCHPLJSD-SNVBAGLBSA-N 2 0 215.341 0.347 20 0 BCADRP CN(CCC[NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000571062463 323105998 /nfs/dbraw/zinc/10/59/98/323105998.db2.gz VHUYCUAINRNDHY-NSHDSACASA-N 2 0 242.367 0.509 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H](C)[NH+](C)C)CC[N@@H+]1C ZINC000635863046 346096537 /nfs/dbraw/zinc/09/65/37/346096537.db2.gz BSVJXPUDEDJCTM-VXGBXAGGSA-N 2 0 241.379 0.735 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000449379250 201893276 /nfs/dbraw/zinc/89/32/76/201893276.db2.gz ZYKMFVOSRVILBX-SCZZXKLOSA-N 2 0 213.325 0.228 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000449384067 201896518 /nfs/dbraw/zinc/89/65/18/201896518.db2.gz MAZMTGWZBFFPOP-YPMHNXCESA-N 2 0 241.379 0.880 20 0 BCADRP C[C@H](C(=O)NC[C@H](C)C[NH+](C)C)[NH+](C)C ZINC000635955137 346118075 /nfs/dbraw/zinc/11/80/75/346118075.db2.gz UWTROFQRUQGGIS-VHSXEESVSA-N 2 0 215.341 0.250 20 0 BCADRP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH+](C)C ZINC000635953858 346123101 /nfs/dbraw/zinc/12/31/01/346123101.db2.gz NTDHQWDUTMNAEL-NEPJUHHUSA-N 2 0 241.379 0.642 20 0 BCADRP C[NH+](C)C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000636034026 346170551 /nfs/dbraw/zinc/17/05/51/346170551.db2.gz FMAIGKIUQVBITM-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH2+]C ZINC000381534731 346286125 /nfs/dbraw/zinc/28/61/25/346286125.db2.gz DUNMHHPWQCZDQE-VHSXEESVSA-N 2 0 213.325 0.100 20 0 BCADRP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626518 349950784 /nfs/dbraw/zinc/95/07/84/349950784.db2.gz QIDNCFGJJNAGML-ZJUUUORDSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C[C@@H]1CCCC[NH2+]C1 ZINC000669378364 537969760 /nfs/dbraw/zinc/96/97/60/537969760.db2.gz BJIPWWDJKGWMRM-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP Cn1cncc1CC[NH+]1CCC(C[NH3+])CC1 ZINC000641796000 362736667 /nfs/dbraw/zinc/73/66/67/362736667.db2.gz CNUMFECZTQPSNV-UHFFFAOYSA-N 2 0 222.336 0.633 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CC[NH2+]C1CC1 ZINC000563410860 323124625 /nfs/dbraw/zinc/12/46/25/323124625.db2.gz PGQNXSQLYNIHEG-ONGXEEELSA-N 2 0 225.336 0.385 20 0 BCADRP C[NH2+]CCCN(C)CCc1cncn1C ZINC000641798717 362746557 /nfs/dbraw/zinc/74/65/57/362746557.db2.gz HJOSYZUYDYAACX-UHFFFAOYSA-N 2 0 210.325 0.504 20 0 BCADRP Cc1cccc(C[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000083360251 179092592 /nfs/dbraw/zinc/09/25/92/179092592.db2.gz JPDFFVOSNAISGT-UHFFFAOYSA-N 2 0 233.359 0.990 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000184958202 535049246 /nfs/dbraw/zinc/04/92/46/535049246.db2.gz BGPKDDGURFSVQU-VLEAKVRGSA-N 2 0 225.336 0.165 20 0 BCADRP Cn1cncc1CC[NH+]1CCC([NH3+])CC1 ZINC000641796626 362739815 /nfs/dbraw/zinc/73/98/15/362739815.db2.gz DWTAIIIZQYNBMQ-UHFFFAOYSA-N 2 0 208.309 0.386 20 0 BCADRP C[N@H+](Cc1cn(CCC[NH3+])nn1)C(C)(C)C ZINC000669379701 537982134 /nfs/dbraw/zinc/98/21/34/537982134.db2.gz KCMITTRFNMIMNN-UHFFFAOYSA-N 2 0 225.340 0.857 20 0 BCADRP C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2N[C@H]2CC[NH2+]C2)C1 ZINC000580095864 346524362 /nfs/dbraw/zinc/52/43/62/346524362.db2.gz JZEJVQJIZCEFJS-CYDGBPFRSA-N 2 0 223.364 0.859 20 0 BCADRP C1C[NH2+][C@H]([C@@H]2CCC[C@H]2N[C@H]2CC[NH2+]C2)C1 ZINC000580095867 346524526 /nfs/dbraw/zinc/52/45/26/346524526.db2.gz JZEJVQJIZCEFJS-ZDEQEGDKSA-N 2 0 223.364 0.859 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1c2ccccc2C[C@H]1C[NH3+] ZINC000335567084 535050564 /nfs/dbraw/zinc/05/05/64/535050564.db2.gz KLEUHMKKAMBUAJ-AAEUAGOBSA-N 2 0 247.342 0.886 20 0 BCADRP C[C@@H]1CC[C@@H](C[NH3+])N(CCOCC[NH3+])[C@@H]1C ZINC000641805706 362759371 /nfs/dbraw/zinc/75/93/71/362759371.db2.gz GMLDLTWXYNVPCA-UTUOFQBUSA-N 3 0 229.368 0.409 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000641802303 362759806 /nfs/dbraw/zinc/75/98/06/362759806.db2.gz IYIAIEVNFGOEAF-UTUOFQBUSA-N 2 0 242.363 0.897 20 0 BCADRP CNC(=O)CCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000580061220 346502280 /nfs/dbraw/zinc/50/22/80/346502280.db2.gz YPPASTNHSQAXAL-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)CCC[NH3+] ZINC000380153595 346534640 /nfs/dbraw/zinc/53/46/40/346534640.db2.gz YISAAAAPXQIPAJ-UHFFFAOYSA-N 2 0 201.314 0.359 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000186898835 346544232 /nfs/dbraw/zinc/54/42/32/346544232.db2.gz DXYGYRNNJZBCSF-AXFHLTTASA-N 2 0 225.336 0.100 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC[C@H]1[NH3+] ZINC000580197454 346654228 /nfs/dbraw/zinc/65/42/28/346654228.db2.gz JNEMHPHRBIUUOK-OPRDCNLKSA-N 2 0 227.352 0.556 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000580646879 365841365 /nfs/dbraw/zinc/84/13/65/365841365.db2.gz QMKMKTDLNGNBKF-KOLCDFICSA-N 2 0 227.352 0.748 20 0 BCADRP C(C[C@H]1CCC[NH2+]C1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000580715337 346663580 /nfs/dbraw/zinc/66/35/80/346663580.db2.gz YFOOLTZGXQSPOZ-OLZOCXBDSA-N 3 0 225.380 0.965 20 0 BCADRP C[C@H](NC(=O)CCCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000580189926 346643295 /nfs/dbraw/zinc/64/32/95/346643295.db2.gz LJNHZQZVNDKXQU-QWRGUYRKSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000381699111 346709354 /nfs/dbraw/zinc/70/93/54/346709354.db2.gz ICPQBLSLUAWLIC-RKDXNWHRSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000381699107 346709404 /nfs/dbraw/zinc/70/94/04/346709404.db2.gz ICPQBLSLUAWLIC-BDAKNGLRSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000193170483 346711935 /nfs/dbraw/zinc/71/19/35/346711935.db2.gz NZCYCNHLVHYUMB-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000580212465 346686047 /nfs/dbraw/zinc/68/60/47/346686047.db2.gz MNWCSQGITQEYJX-RYUDHWBXSA-N 3 0 209.337 0.766 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COCC2CC2)C1 ZINC000580216273 346699516 /nfs/dbraw/zinc/69/95/16/346699516.db2.gz SYLXOASXPDNPBP-JHJVBQTASA-N 2 0 242.363 0.633 20 0 BCADRP C[C@@H]1CN(C(=O)CC[C@H]2CC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000571082039 323134992 /nfs/dbraw/zinc/13/49/92/323134992.db2.gz LBQRRBMBGSVKRU-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1CC[N@H+](CC(C)(C)[NH3+])C[C@@H]1CO ZINC000622003594 370654449 /nfs/dbraw/zinc/65/44/49/370654449.db2.gz BZPDBNPLRXYQQT-VHSXEESVSA-N 2 0 200.326 0.674 20 0 BCADRP C[C@]1(CN2C[C@H]3CCC[C@]3([NH3+])C2)CC[NH2+]C1 ZINC000622003575 370654199 /nfs/dbraw/zinc/65/41/99/370654199.db2.gz BXUUITCPGKAGGY-AGIUHOORSA-N 2 0 223.364 0.799 20 0 BCADRP CC[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000571106574 323135715 /nfs/dbraw/zinc/13/57/15/323135715.db2.gz KFNGEANNPPANDH-AEJSXWLSSA-N 2 0 211.309 0.029 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000582057254 347152513 /nfs/dbraw/zinc/15/25/13/347152513.db2.gz ZNRUAZKXAMPKKS-SCVCMEIPSA-N 2 0 225.336 0.182 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000309768745 347159281 /nfs/dbraw/zinc/15/92/81/347159281.db2.gz JYXDXZFONMMEJC-NXEZZACHSA-N 2 0 213.325 0.372 20 0 BCADRP Cn1cc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000087765869 362786842 /nfs/dbraw/zinc/78/68/42/362786842.db2.gz FJJYDYSPQGTDFV-RYUDHWBXSA-N 2 0 222.336 0.822 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000581132521 347215302 /nfs/dbraw/zinc/21/53/02/347215302.db2.gz WHDIPMADHLRMDL-GVXVVHGQSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000353186204 187372828 /nfs/dbraw/zinc/37/28/28/187372828.db2.gz QJVWSSFZILVPQR-JLLWLGSASA-N 2 0 239.363 0.569 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000149518713 347294580 /nfs/dbraw/zinc/29/45/80/347294580.db2.gz YVUANKJTPPMGEE-GFCCVEGCSA-N 2 0 239.363 0.491 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](OC)C1 ZINC000571337261 323141793 /nfs/dbraw/zinc/14/17/93/323141793.db2.gz SIXOYZDNNSBSAX-QWRGUYRKSA-N 2 0 216.325 0.068 20 0 BCADRP [NH3+]CCC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000070188584 349975738 /nfs/dbraw/zinc/97/57/38/349975738.db2.gz GGSHAWCGLFNLDB-UHFFFAOYSA-N 2 0 239.363 0.670 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000309466009 229580891 /nfs/dbraw/zinc/58/08/91/229580891.db2.gz PWEXFNSXPPNUJN-AXTSPUMRSA-N 2 0 213.325 0.356 20 0 BCADRP CC[NH+](CC)CCNC(=O)CCC[NH3+] ZINC000019432719 347324248 /nfs/dbraw/zinc/32/42/48/347324248.db2.gz RCHJFVITBWHXLN-UHFFFAOYSA-N 2 0 201.314 0.183 20 0 BCADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]C1CC1 ZINC000580332506 347425196 /nfs/dbraw/zinc/42/51/96/347425196.db2.gz XZOJOELDJPLDPT-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP COC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000053197139 347438479 /nfs/dbraw/zinc/43/84/79/347438479.db2.gz BNMDGABJFWOCDK-QWRGUYRKSA-N 2 0 200.326 0.953 20 0 BCADRP Cc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000020264481 347438521 /nfs/dbraw/zinc/43/85/21/347438521.db2.gz SHVRJXKGRCICQX-LBPRGKRZSA-N 2 0 208.305 0.746 20 0 BCADRP CN(Cc1c[nH]cn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000616925413 347456935 /nfs/dbraw/zinc/45/69/35/347456935.db2.gz GZLSOJKAYHEELK-SECBINFHSA-N 2 0 222.292 0.320 20 0 BCADRP COC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)C1CC1 ZINC000397273925 323150444 /nfs/dbraw/zinc/15/04/44/323150444.db2.gz YLFRDVIUZNJZOD-USWWRNFRSA-N 2 0 212.337 0.999 20 0 BCADRP [NH3+][C@H]1CCC[C@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000571640977 323150546 /nfs/dbraw/zinc/15/05/46/323150546.db2.gz WDBDGXTUHXSZEF-JQWIXIFHSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccnn2C)CC1 ZINC000082474728 347615700 /nfs/dbraw/zinc/61/57/00/347615700.db2.gz QVSDJUPPQYNVDI-JTQLQIEISA-N 2 0 222.336 0.979 20 0 BCADRP CC[NH2+]CCCNC(=O)NC[C@@H]([NH3+])CC ZINC000577270173 365910833 /nfs/dbraw/zinc/91/08/33/365910833.db2.gz RLLYCKIOHUIKLF-VIFPVBQESA-N 2 0 216.329 0.023 20 0 BCADRP CSC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000591726585 347692519 /nfs/dbraw/zinc/69/25/19/347692519.db2.gz QLKCCKXFEYXOOX-QJPTWQEYSA-N 2 0 244.404 0.927 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C1CC1 ZINC000591456796 347665033 /nfs/dbraw/zinc/66/50/33/347665033.db2.gz YGECWXNEVFFUGQ-GHMZBOCLSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000577278355 365914265 /nfs/dbraw/zinc/91/42/65/365914265.db2.gz CPXXBLVDOCFUPG-GARJFASQSA-N 2 0 225.336 0.038 20 0 BCADRP CCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](C)C1 ZINC000308534945 347820053 /nfs/dbraw/zinc/82/00/53/347820053.db2.gz RQCGDSOFFZCYPT-MNOVXSKESA-N 2 0 200.326 0.641 20 0 BCADRP COC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492333 347787440 /nfs/dbraw/zinc/78/74/40/347787440.db2.gz YSZJWHOUHNUXJQ-RYUDHWBXSA-N 2 0 240.347 0.871 20 0 BCADRP COC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492334 347787940 /nfs/dbraw/zinc/78/79/40/347787940.db2.gz YSZJWHOUHNUXJQ-VXGBXAGGSA-N 2 0 240.347 0.871 20 0 BCADRP COC(=O)[C@@H]1C[N@H+](CC(C)(C)[NH3+])C[C@H]1C1CC1 ZINC000593316214 347881406 /nfs/dbraw/zinc/88/14/06/347881406.db2.gz BBRGEUSBILFRAQ-WDEREUQCSA-N 2 0 240.347 0.855 20 0 BCADRP C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)N1CC(C)C1 ZINC000577386872 365941778 /nfs/dbraw/zinc/94/17/78/365941778.db2.gz VUKYAYHFGWIPMG-NEPJUHHUSA-N 2 0 239.363 0.395 20 0 BCADRP COCCC[NH+]1CCC([NH2+]CC(C)(C)O)CC1 ZINC000577364951 365934125 /nfs/dbraw/zinc/93/41/25/365934125.db2.gz KFHWPOSQYKRCEF-UHFFFAOYSA-N 2 0 244.379 0.848 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N(C)CCC[NH+](C)C ZINC000577368144 365934971 /nfs/dbraw/zinc/93/49/71/365934971.db2.gz SDDKKCFBRKQFON-LLVKDONJSA-N 2 0 244.383 0.563 20 0 BCADRP CC[NH+](CC)CC[C@@H](CO)[NH2+]CC1(O)CCC1 ZINC000577373477 365937739 /nfs/dbraw/zinc/93/77/39/365937739.db2.gz SGQALBMMDCTANR-LBPRGKRZSA-N 2 0 244.379 0.584 20 0 BCADRP C[C@H]1C[C@H](NC(=O)c2coc(C[NH3+])c2)CC[NH2+]1 ZINC000577394193 365939518 /nfs/dbraw/zinc/93/95/18/365939518.db2.gz UJJKBRSYINHZJW-WCBMZHEXSA-N 2 0 237.303 0.609 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000295087075 179325407 /nfs/dbraw/zinc/32/54/07/179325407.db2.gz IXUCHUUYLBMRME-WCQYABFASA-N 2 0 247.342 0.863 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC000577399530 365945458 /nfs/dbraw/zinc/94/54/58/365945458.db2.gz LQLJSVIEKFNKSK-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC000577399539 365945541 /nfs/dbraw/zinc/94/55/41/365945541.db2.gz LQLJSVIEKFNKSK-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368389235 187384703 /nfs/dbraw/zinc/38/47/03/187384703.db2.gz VWLDOUVMMYKJEO-UWVGGRQHSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)C(=O)OC ZINC000594555403 348069028 /nfs/dbraw/zinc/06/90/28/348069028.db2.gz DAZJVZOIHFSSPX-OUAUKWLOSA-N 2 0 228.336 0.868 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000296570213 179341705 /nfs/dbraw/zinc/34/17/05/179341705.db2.gz VYSVGSRSPOEGLM-YPMHNXCESA-N 2 0 247.342 0.863 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C1 ZINC000295128975 179342093 /nfs/dbraw/zinc/34/20/93/179342093.db2.gz OHVHFDHKIXMFKD-JQWIXIFHSA-N 2 0 233.315 0.554 20 0 BCADRP C(SC[C@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000594696514 348100906 /nfs/dbraw/zinc/10/09/06/348100906.db2.gz PIGDQKXSJGQXQK-LLVKDONJSA-N 2 0 230.377 0.708 20 0 BCADRP CC1(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCC1 ZINC000594739304 348110586 /nfs/dbraw/zinc/11/05/86/348110586.db2.gz UINSNXBVYQERJP-QWRGUYRKSA-N 2 0 237.347 0.420 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000449556473 201964713 /nfs/dbraw/zinc/96/47/13/201964713.db2.gz NGIJDPOWQONDHY-WHOHXGKFSA-N 2 0 239.363 0.428 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417614889 323177668 /nfs/dbraw/zinc/17/76/68/323177668.db2.gz WFIYALGGKZYEMP-WDEREUQCSA-N 2 0 244.383 0.753 20 0 BCADRP C[C@@H]1C[C@@H]1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000082648663 348241830 /nfs/dbraw/zinc/24/18/30/348241830.db2.gz JDOJVJZCJLDTCU-GHMZBOCLSA-N 2 0 225.336 0.006 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726756 187394188 /nfs/dbraw/zinc/39/41/88/187394188.db2.gz XIXZOYXWRJCXHL-CMPLNLGQSA-N 2 0 239.363 0.713 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC000595939133 348409437 /nfs/dbraw/zinc/40/94/37/348409437.db2.gz FACYNVYJYNZCMH-ZJUUUORDSA-N 2 0 247.408 0.523 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC000595939132 348409646 /nfs/dbraw/zinc/40/96/46/348409646.db2.gz FACYNVYJYNZCMH-VHSXEESVSA-N 2 0 247.408 0.523 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[N@H+](CCC3CCC3)CCN2C1=O ZINC000595902941 348394999 /nfs/dbraw/zinc/39/49/99/348394999.db2.gz JHGVTAGLYFAJKM-RYUDHWBXSA-N 2 0 237.347 0.420 20 0 BCADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCC3CCC3)CCN2C1=O ZINC000595902942 348395464 /nfs/dbraw/zinc/39/54/64/348395464.db2.gz JHGVTAGLYFAJKM-VXGBXAGGSA-N 2 0 237.347 0.420 20 0 BCADRP [NH3+][C@H]1C[C@@H]2C[N@H+](CCC3CCC3)CCN2C1=O ZINC000595902939 348395600 /nfs/dbraw/zinc/39/56/00/348395600.db2.gz JHGVTAGLYFAJKM-NEPJUHHUSA-N 2 0 237.347 0.420 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000595905655 348396463 /nfs/dbraw/zinc/39/64/63/348396463.db2.gz WRGZHJIDWXJOTD-SDDRHHMPSA-N 2 0 240.347 0.727 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000070304862 349987930 /nfs/dbraw/zinc/98/79/30/349987930.db2.gz UTNOGYNEZKJHPZ-ZDUSSCGKSA-N 2 0 247.342 0.551 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000333643049 538008094 /nfs/dbraw/zinc/00/80/94/538008094.db2.gz IPJGTAAKMIFMEB-OUAUKWLOSA-N 2 0 240.351 0.130 20 0 BCADRP C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)OCC1CC1 ZINC000308816575 348709892 /nfs/dbraw/zinc/70/98/92/348709892.db2.gz FGTAJBZQDABAHL-VXGBXAGGSA-N 2 0 210.321 0.564 20 0 BCADRP [NH3+]C1(C(=O)NC[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000237799463 490217951 /nfs/dbraw/zinc/21/79/51/490217951.db2.gz MWNWOYAXHVGKIT-JTQLQIEISA-N 2 0 225.336 0.516 20 0 BCADRP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C[C@H]1CCCN1C ZINC000598993796 349072772 /nfs/dbraw/zinc/07/27/72/349072772.db2.gz PMRGTNSACZUVBQ-WISYIIOYSA-N 2 0 240.347 0.868 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000616571886 349061100 /nfs/dbraw/zinc/06/11/00/349061100.db2.gz IRSUEBFAHCUGQL-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000250649849 349178115 /nfs/dbraw/zinc/17/81/15/349178115.db2.gz WJNBSZLJNHEZPT-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCCNC2=O)C1 ZINC000250865007 349180318 /nfs/dbraw/zinc/18/03/18/349180318.db2.gz RCJXWLXIKOHQNH-MXWKQRLJSA-N 2 0 225.336 0.515 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)CN2CCOCC2)C1 ZINC000251126011 349182627 /nfs/dbraw/zinc/18/26/27/349182627.db2.gz SFSBBDOXYZOISZ-OLZOCXBDSA-N 2 0 241.379 0.248 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000309382739 490231183 /nfs/dbraw/zinc/23/11/83/490231183.db2.gz DMJCPPGDZCSAQP-UWVGGRQHSA-N 2 0 213.325 0.311 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000249141507 349155995 /nfs/dbraw/zinc/15/59/95/349155995.db2.gz ZKWHGYYVPYGPTI-AEJSXWLSSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H]([NH2+][C@H]1CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000396453148 538034663 /nfs/dbraw/zinc/03/46/63/538034663.db2.gz KSAPQFGJIOEMIJ-JQWIXIFHSA-N 3 0 211.353 0.668 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000449604246 201983995 /nfs/dbraw/zinc/98/39/95/201983995.db2.gz WVUVBBWASGEEML-KXNHARMFSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422536315 192424299 /nfs/dbraw/zinc/42/42/99/192424299.db2.gz FGKFCGADMOCNGS-OSUNSFLBSA-N 2 0 241.379 0.802 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422535787 192424457 /nfs/dbraw/zinc/42/44/57/192424457.db2.gz DEFYFDPBQQIFSB-UTUOFQBUSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000070619226 350028700 /nfs/dbraw/zinc/02/87/00/350028700.db2.gz ALYMPTVMMLNEEV-LBPRGKRZSA-N 2 0 227.352 0.587 20 0 BCADRP C[N@H+](CCNC(=O)[C@@]1(C)CCC[NH2+]1)C1CC1 ZINC000070619341 350029685 /nfs/dbraw/zinc/02/96/85/350029685.db2.gz CBSHRYJAPUDERY-GFCCVEGCSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)N(C)C)C1 ZINC000070800167 350059480 /nfs/dbraw/zinc/05/94/80/350059480.db2.gz QUXJSPVDUHJDDL-SNVBAGLBSA-N 2 0 213.325 0.006 20 0 BCADRP C[NH2+]C[C@H]1CCN([C@@H](C)C(=O)N(C)C)C1 ZINC000070799954 350061138 /nfs/dbraw/zinc/06/11/38/350061138.db2.gz QEOCJNQTROQCRF-VHSXEESVSA-N 2 0 213.325 0.004 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000563106919 350062806 /nfs/dbraw/zinc/06/28/06/350062806.db2.gz VJAVNKKNGJOKEX-VHSXEESVSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+][C@@H](CCC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000071400436 350105161 /nfs/dbraw/zinc/10/51/61/350105161.db2.gz GSGSJEMBTBPXQA-ZDUSSCGKSA-N 2 0 247.342 0.898 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132945391 490297574 /nfs/dbraw/zinc/29/75/74/490297574.db2.gz HOZUDCICINUDKJ-OPRDCNLKSA-N 2 0 213.325 0.323 20 0 BCADRP COCCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000131974755 191019983 /nfs/dbraw/zinc/01/99/83/191019983.db2.gz PYCISRSOMRCECU-MNOVXSKESA-N 2 0 200.326 0.953 20 0 BCADRP COC[C@H]([NH2+]CCOCC[NH+](C)C)C1CC1 ZINC000219320363 350122247 /nfs/dbraw/zinc/12/22/47/350122247.db2.gz JXOIJKCDQZHUTQ-LBPRGKRZSA-N 2 0 230.352 0.579 20 0 BCADRP Cc1nc(N(C)C)nc(N2CC[NH2+][C@H](C)C2)n1 ZINC000420188499 192172695 /nfs/dbraw/zinc/17/26/95/192172695.db2.gz FHVFUADHKYCNCI-MRVPVSSYSA-N 2 0 236.323 0.044 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000309827663 191067785 /nfs/dbraw/zinc/06/77/85/191067785.db2.gz XSIRTDPMCMDPEZ-BBBLOLIVSA-N 2 0 213.325 0.308 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000309209840 350191799 /nfs/dbraw/zinc/19/17/99/350191799.db2.gz DFCNWVWORTVYDM-GRYCIOLGSA-N 2 0 230.352 0.314 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000309209844 350191822 /nfs/dbraw/zinc/19/18/22/350191822.db2.gz DFCNWVWORTVYDM-SDDRHHMPSA-N 2 0 230.352 0.314 20 0 BCADRP C[C@H]1CCCN(C(=O)CCC[NH3+])[C@@H]1CC[NH3+] ZINC000653232736 490393495 /nfs/dbraw/zinc/39/34/95/490393495.db2.gz IKOBTGAXNOEKFV-WDEREUQCSA-N 2 0 227.352 0.701 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)[NH+](C)C ZINC000427565296 191081665 /nfs/dbraw/zinc/08/16/65/191081665.db2.gz NDTDFJYDKSSMBD-SDDRHHMPSA-N 2 0 241.379 0.687 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CC1([NH3+])CCC1 ZINC000669511518 490397838 /nfs/dbraw/zinc/39/78/38/490397838.db2.gz RVOYPWTYLWMOHD-LLVKDONJSA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)[C@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000318753964 350257028 /nfs/dbraw/zinc/25/70/28/350257028.db2.gz BDPKANJJCTXWAZ-JTQLQIEISA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000427614221 191085017 /nfs/dbraw/zinc/08/50/17/191085017.db2.gz WCHIIUWOJYZIRG-WZRBSPASSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC1=CC[NH2+]CC1 ZINC000309269018 350246989 /nfs/dbraw/zinc/24/69/89/350246989.db2.gz KIHSPLZCEAZJMT-SNVBAGLBSA-N 2 0 211.309 0.006 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000038042248 350302927 /nfs/dbraw/zinc/30/29/27/350302927.db2.gz BPDNUWKNWMDMCA-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH3+])[C@H](C)[NH3+] ZINC000422779806 192464736 /nfs/dbraw/zinc/46/47/36/192464736.db2.gz JEXFQHCPDBBKDF-LPEHRKFASA-N 2 0 215.341 0.459 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000309368791 350354183 /nfs/dbraw/zinc/35/41/83/350354183.db2.gz BNZICBDLAOXSFS-UTLUCORTSA-N 2 0 213.325 0.215 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000309373075 350362068 /nfs/dbraw/zinc/36/20/68/350362068.db2.gz CHFUZGSDNUWBNQ-MRVPVSSYSA-N 2 0 231.365 0.064 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC([NH+](C)C)CC1 ZINC000069839293 350412722 /nfs/dbraw/zinc/41/27/22/350412722.db2.gz UUPOPVDNCYUWEC-JTQLQIEISA-N 2 0 227.352 0.666 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000069840048 350414861 /nfs/dbraw/zinc/41/48/61/350414861.db2.gz PVZVFMCWJAFAEE-ZJUUUORDSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000069840250 350418465 /nfs/dbraw/zinc/41/84/65/350418465.db2.gz WIHPKUSUINNUBC-GHMZBOCLSA-N 2 0 227.352 0.666 20 0 BCADRP CCC[NH2+]CCNC(=O)NCC[NH2+]C1CC1 ZINC000637340051 350465486 /nfs/dbraw/zinc/46/54/86/350465486.db2.gz OOISJTKXSSXXHL-UHFFFAOYSA-N 2 0 228.340 0.037 20 0 BCADRP C[C@@H](C(N)=O)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000061679217 350525402 /nfs/dbraw/zinc/52/54/02/350525402.db2.gz FMWIWHPWVMCJFK-VIFPVBQESA-N 2 0 213.325 0.134 20 0 BCADRP CO[C@H](C[NH3+])C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000577501940 365970900 /nfs/dbraw/zinc/97/09/00/365970900.db2.gz VZBUHCGBJOCHIW-LDYMZIIASA-N 2 0 237.303 0.619 20 0 BCADRP COC[C@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000070589343 350543557 /nfs/dbraw/zinc/54/35/57/350543557.db2.gz DAYNYTNIRYKFGF-GFCCVEGCSA-N 2 0 230.352 0.456 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000220411264 490599255 /nfs/dbraw/zinc/59/92/55/490599255.db2.gz YNEKCDCLDGMGAA-OFLUOSHYSA-N 2 0 225.336 0.465 20 0 BCADRP C[C@@H](C(=O)N1CC[C@](C)(C[NH3+])C1)[C@H](C)[NH3+] ZINC000309416892 323395355 /nfs/dbraw/zinc/39/53/55/323395355.db2.gz JIPUJVBLDWQFOJ-WCABBAIRSA-N 2 0 213.325 0.167 20 0 BCADRP CC1CC[NH+](CCNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000384834370 350591601 /nfs/dbraw/zinc/59/16/01/350591601.db2.gz NAVLUQKSDDZBAI-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000131719837 490654876 /nfs/dbraw/zinc/65/48/76/490654876.db2.gz NXZKFFBMRDXXLB-MNOVXSKESA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)CCCC[NH3+] ZINC000309500708 350614774 /nfs/dbraw/zinc/61/47/74/350614774.db2.gz UVGAMKUEQHZYBI-SNVBAGLBSA-N 2 0 215.341 0.749 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)NCCC[NH2+]C(C)C ZINC000637479271 350630985 /nfs/dbraw/zinc/63/09/85/350630985.db2.gz FHGLYQJCSHSIPP-NSHDSACASA-N 2 0 244.383 0.529 20 0 BCADRP CC[NH2+]CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000309508352 350679617 /nfs/dbraw/zinc/67/96/17/350679617.db2.gz ODUCPXOFNHMIJG-SNVBAGLBSA-N 2 0 213.325 0.102 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CCC[NH3+] ZINC000309510042 350685803 /nfs/dbraw/zinc/68/58/03/350685803.db2.gz XBTSNNXLJDKEPT-NXEZZACHSA-N 2 0 213.325 0.454 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000309513123 350693868 /nfs/dbraw/zinc/69/38/68/350693868.db2.gz XXSSUKJKBUPNAS-UWVGGRQHSA-N 2 0 213.325 0.230 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1CCC[NH2+]1 ZINC000309513930 350694077 /nfs/dbraw/zinc/69/40/77/350694077.db2.gz YCIKLNREJJMFGC-UWVGGRQHSA-N 2 0 213.325 0.228 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)CCCC[NH3+] ZINC000309468287 323413311 /nfs/dbraw/zinc/41/33/11/323413311.db2.gz QLHCJQKGWZWOPD-UHFFFAOYSA-N 2 0 215.341 0.749 20 0 BCADRP CC[C@@H](O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000339203592 350739885 /nfs/dbraw/zinc/73/98/85/350739885.db2.gz JJYCGOXYHHUDIH-CYBMUJFWSA-N 2 0 245.411 0.573 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000236619320 350740487 /nfs/dbraw/zinc/74/04/87/350740487.db2.gz LAWBKDNYCZMUEC-LBPRGKRZSA-N 2 0 247.342 0.727 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)[NH+](C)C ZINC000617347367 350813651 /nfs/dbraw/zinc/81/36/51/350813651.db2.gz KZMWJXVJYWGAEF-QWRGUYRKSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000577608629 366015989 /nfs/dbraw/zinc/01/59/89/366015989.db2.gz XJFCSWPWHACEBG-GMXVVIOVSA-N 2 0 239.363 0.572 20 0 BCADRP C[N@@H+]1CC[C@@H]([NH2+]C/C=C\CO)CC1(C)C ZINC000623563997 362989301 /nfs/dbraw/zinc/98/93/01/362989301.db2.gz PDGFOWGAQAPFQA-DOGVGXBMSA-N 2 0 212.337 0.997 20 0 BCADRP [NH3+]CCN1CC[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC000616636811 351128950 /nfs/dbraw/zinc/12/89/50/351128950.db2.gz PDQAEHGZLXTCND-GFCCVEGCSA-N 2 0 223.295 0.731 20 0 BCADRP [NH3+]CC[C@@H]1Cc2ccccc2N(CC[NH3+])C1 ZINC000616672195 351235173 /nfs/dbraw/zinc/23/51/73/351235173.db2.gz KIIZOSKRKKMCJF-LLVKDONJSA-N 2 0 219.332 0.973 20 0 BCADRP [NH3+]CCN1CC[C@H](C[NH3+])c2ccccc21 ZINC000616675720 351243804 /nfs/dbraw/zinc/24/38/04/351243804.db2.gz POKWQAVGGCWBCL-SNVBAGLBSA-N 2 0 205.305 0.898 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)C[C@H](C)[NH3+] ZINC000336673023 187478295 /nfs/dbraw/zinc/47/82/95/187478295.db2.gz OHVSEOKUPGFRAB-ONGXEEELSA-N 2 0 215.341 0.603 20 0 BCADRP CSCC[C@H](CO)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000571938886 323509937 /nfs/dbraw/zinc/50/99/37/323509937.db2.gz IRPATMCVXBDBGX-HBNTYKKESA-N 2 0 232.393 0.960 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)C1([NH3+])CCC1 ZINC000088050031 351531868 /nfs/dbraw/zinc/53/18/68/351531868.db2.gz HQXODWJCIGPYRP-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000577625651 366024139 /nfs/dbraw/zinc/02/41/39/366024139.db2.gz OXARJTXEAOJEHL-JQWIXIFHSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C1 ZINC000637820845 351661477 /nfs/dbraw/zinc/66/14/77/351661477.db2.gz JNHZMUZFCGCTTI-VHSXEESVSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@H](C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])[NH+](C)C ZINC000637804765 351638078 /nfs/dbraw/zinc/63/80/78/351638078.db2.gz BBRKQSXHSYEQAX-AXFHLTTASA-N 2 0 227.352 0.665 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC(C[NH3+])CC1 ZINC000637804126 351640782 /nfs/dbraw/zinc/64/07/82/351640782.db2.gz MOZMQOJCWBKEAI-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000637807640 351644743 /nfs/dbraw/zinc/64/47/43/351644743.db2.gz KOIMQAYTPKPPIQ-MXWKQRLJSA-N 2 0 227.352 0.713 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)C1CC[NH2+]CC1 ZINC000637809317 351646178 /nfs/dbraw/zinc/64/61/78/351646178.db2.gz PNLOEHLVTKOFRG-VIFPVBQESA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000637815808 351655077 /nfs/dbraw/zinc/65/50/77/351655077.db2.gz XVCLJDAFGOZTBT-NEPJUHHUSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000637816581 351656758 /nfs/dbraw/zinc/65/67/58/351656758.db2.gz JOMJPRPGYCLRER-MNOVXSKESA-N 2 0 225.336 0.291 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000637817002 351657670 /nfs/dbraw/zinc/65/76/70/351657670.db2.gz QEXCRUPCHCNDLL-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000637814240 351658467 /nfs/dbraw/zinc/65/84/67/351658467.db2.gz JURXRYQRVOQZTC-MWLCHTKSSA-N 2 0 223.320 0.150 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C ZINC000637819587 351660063 /nfs/dbraw/zinc/66/00/63/351660063.db2.gz VNGIVTPEKJFCQJ-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000637798743 351627266 /nfs/dbraw/zinc/62/72/66/351627266.db2.gz IEBDOQUUUAQONM-CMPLNLGQSA-N 2 0 237.347 0.492 20 0 BCADRP C[NH+](C)CC1(C(=O)N2CCC([NH3+])CC2)CC1 ZINC000637798930 351627956 /nfs/dbraw/zinc/62/79/56/351627956.db2.gz OSDOHVRHBFLCKR-UHFFFAOYSA-N 2 0 225.336 0.278 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000637799132 351627978 /nfs/dbraw/zinc/62/79/78/351627978.db2.gz KPGAAWQXTRDGKP-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000637799149 351628057 /nfs/dbraw/zinc/62/80/57/351628057.db2.gz KPGAAWQXTRDGKP-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NCCC[NH3+] ZINC000637801319 351631719 /nfs/dbraw/zinc/63/17/19/351631719.db2.gz NRPGNXUGAFLVNN-SECBINFHSA-N 2 0 201.314 0.215 20 0 BCADRP CC[N@H+](CC(C)C)C[C@](C)(O)C[NH2+]C ZINC000577737612 366047395 /nfs/dbraw/zinc/04/73/95/366047395.db2.gz ZLOIBIWBLLXJQM-LLVKDONJSA-N 2 0 202.342 0.935 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000577734291 366048163 /nfs/dbraw/zinc/04/81/63/366048163.db2.gz ZGGALGXJYNKPHS-NSHDSACASA-N 2 0 229.368 0.688 20 0 BCADRP CCCN(C(=O)C1=CC[C@H]([NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000637832893 351682379 /nfs/dbraw/zinc/68/23/79/351682379.db2.gz NMQRYVOMXAWQMF-RYUDHWBXSA-N 2 0 237.347 0.634 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC000637836180 351687166 /nfs/dbraw/zinc/68/71/66/351687166.db2.gz WJKBTVGGZJAGRN-NSHDSACASA-N 2 0 239.363 0.396 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000637834427 351688571 /nfs/dbraw/zinc/68/85/71/351688571.db2.gz WPHFVOOVOVRQQX-NEPJUHHUSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000637834431 351689106 /nfs/dbraw/zinc/68/91/06/351689106.db2.gz WPHFVOOVOVRQQX-RYUDHWBXSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)C[C@H](C)[NH2+]1 ZINC000637839378 351689623 /nfs/dbraw/zinc/68/96/23/351689623.db2.gz JLHIAKQEUFXKMC-WCABBAIRSA-N 2 0 223.320 0.243 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C1(C[NH+](C)C)CC1 ZINC000637839786 351691261 /nfs/dbraw/zinc/69/12/61/351691261.db2.gz BNZMARMRDSBBIW-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH+](C)CC1(C(=O)NC2(C[NH3+])CCCC2)CC1 ZINC000637840082 351694830 /nfs/dbraw/zinc/69/48/30/351694830.db2.gz MVXXLEZTSOISAZ-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@](C)(C[NH3+])C2CC2)C1 ZINC000637840310 351695500 /nfs/dbraw/zinc/69/55/00/351695500.db2.gz GKEFTXYDOLHUFW-ZWNOBZJWSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000637841102 351696818 /nfs/dbraw/zinc/69/68/18/351696818.db2.gz SJRKMVAXLQDIMW-SECBINFHSA-N 2 0 213.325 0.147 20 0 BCADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[NH2+]1 ZINC000637841397 351697360 /nfs/dbraw/zinc/69/73/60/351697360.db2.gz OPHWUHLVBUXDKM-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000637841901 351698351 /nfs/dbraw/zinc/69/83/51/351698351.db2.gz MIHJDKPQIBFKGK-LDYMZIIASA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC000637844669 351699718 /nfs/dbraw/zinc/69/97/18/351699718.db2.gz QYEGIWAJAHWDEK-VIFPVBQESA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000637844956 351700599 /nfs/dbraw/zinc/70/05/99/351700599.db2.gz SXPZYOLXLGUVIC-UWVGGRQHSA-N 2 0 213.325 0.276 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000637844842 351701111 /nfs/dbraw/zinc/70/11/11/351701111.db2.gz LLZVBUBOFOXTNI-OPRDCNLKSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000637850812 351708161 /nfs/dbraw/zinc/70/81/61/351708161.db2.gz WNXDIOMCJNOJMA-AAEUAGOBSA-N 2 0 239.363 0.914 20 0 BCADRP C[C@](C[NH3+])(NC(=O)CCC1C[NH2+]C1)C1CC1 ZINC000637842863 351701500 /nfs/dbraw/zinc/70/15/00/351701500.db2.gz SYXBSZFHAWXNSU-GFCCVEGCSA-N 2 0 225.336 0.230 20 0 BCADRP CC[C@@H](C(=O)N(C)[C@H](C)C[NH3+])[NH+](C)C ZINC000637843121 351701611 /nfs/dbraw/zinc/70/16/11/351701611.db2.gz VVGBILPODNQQQF-BDAKNGLRSA-N 2 0 201.314 0.132 20 0 BCADRP CC[C@H](C(=O)N(C)[C@@H](C)C[NH3+])[NH+](C)C ZINC000637843122 351701728 /nfs/dbraw/zinc/70/17/28/351701728.db2.gz VVGBILPODNQQQF-DTWKUNHWSA-N 2 0 201.314 0.132 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637843599 351702362 /nfs/dbraw/zinc/70/23/62/351702362.db2.gz XWBFKANOLGIDJL-SNVBAGLBSA-N 2 0 225.336 0.668 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000637843773 351703040 /nfs/dbraw/zinc/70/30/40/351703040.db2.gz HEJBIJPOWPLNCE-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H](C)[NH+](C)C ZINC000637847796 351703697 /nfs/dbraw/zinc/70/36/97/351703697.db2.gz DHFLAVDYCQDNOU-RKDXNWHRSA-N 2 0 201.314 0.036 20 0 BCADRP C[N@H+](CC(=O)N1CC[C@@H](C[NH3+])C1)CC(C)(C)C ZINC000637822331 351666632 /nfs/dbraw/zinc/66/66/32/351666632.db2.gz JUOJPRLKISPTAN-NSHDSACASA-N 2 0 241.379 0.772 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC000637823489 351668124 /nfs/dbraw/zinc/66/81/24/351668124.db2.gz JCMGDOMUDXTNAJ-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000637826957 351675104 /nfs/dbraw/zinc/67/51/04/351675104.db2.gz KVMOPUFVQDIEKK-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000637828233 351675135 /nfs/dbraw/zinc/67/51/35/351675135.db2.gz XUZZKQILUIRWSW-NSHDSACASA-N 2 0 227.352 0.618 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000577731608 366046638 /nfs/dbraw/zinc/04/66/38/366046638.db2.gz JPBAVTSYVUZKDP-VXGBXAGGSA-N 2 0 237.347 0.481 20 0 BCADRP CCc1c[nH]c(CC(=O)NCC(C)(C)[NH3+])n1 ZINC000637857086 351716881 /nfs/dbraw/zinc/71/68/81/351716881.db2.gz FHYVGUHVDUUMKC-UHFFFAOYSA-N 2 0 224.308 0.368 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000637857182 351718039 /nfs/dbraw/zinc/71/80/39/351718039.db2.gz NCLDBXZQRXDCKW-VIFPVBQESA-N 2 0 215.341 0.603 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NCC(C)(C)[NH3+])CC[N@@H+]1C ZINC000637857802 351718568 /nfs/dbraw/zinc/71/85/68/351718568.db2.gz PRSCZXXRQRTRQV-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH+](C)CC1(C(=O)N2CC[NH2+]CC2(C)C)CC1 ZINC000637857942 351718640 /nfs/dbraw/zinc/71/86/40/351718640.db2.gz VMILZRINVWLPKK-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@H](C)[NH2+]CC)CC1 ZINC000637860588 351722079 /nfs/dbraw/zinc/72/20/79/351722079.db2.gz BDDQOIMKSIGFHS-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](C)[NH2+]CC ZINC000637866658 351727429 /nfs/dbraw/zinc/72/74/29/351727429.db2.gz OSKKQRWPYRJOLP-NXEZZACHSA-N 2 0 215.341 0.618 20 0 BCADRP C[C@H](C(=O)NC[C@@]1(C)CCC[NH2+]C1)C1C[NH2+]C1 ZINC000577750131 366053624 /nfs/dbraw/zinc/05/36/24/366053624.db2.gz UONGSQQPOIKCTN-GWCFXTLKSA-N 2 0 239.363 0.348 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000577752815 366053658 /nfs/dbraw/zinc/05/36/58/366053658.db2.gz WRZCCKUXHJWULV-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000637853206 351708798 /nfs/dbraw/zinc/70/87/98/351708798.db2.gz SFHUSWNEVPSPOX-SDDRHHMPSA-N 2 0 237.347 0.668 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000637853514 351709086 /nfs/dbraw/zinc/70/90/86/351709086.db2.gz VLDUDWMWQLWZSG-GXSJLCMTSA-N 2 0 215.341 0.474 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[NH+](C)C ZINC000637852142 351711328 /nfs/dbraw/zinc/71/13/28/351711328.db2.gz CSEPHAPVRWZUGK-GMTAPVOTSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000572362300 323610189 /nfs/dbraw/zinc/61/01/89/323610189.db2.gz CPBODDFQDKWLTA-GXSJLCMTSA-N 2 0 221.304 0.397 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC[C@H](C[NH3+])C1)[C@H](C)[NH3+] ZINC000577848381 366082332 /nfs/dbraw/zinc/08/23/32/366082332.db2.gz SVVZMBCBXJKAPE-TUAOUCFPSA-N 2 0 241.379 0.803 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC[NH+](CC)CC ZINC000638047616 351924776 /nfs/dbraw/zinc/92/47/76/351924776.db2.gz RROSPYWOSTYVQJ-SNVBAGLBSA-N 2 0 215.341 0.442 20 0 BCADRP CCCN(C(=O)[C@@H](C)[NH+](C)C)C1CC[NH2+]CC1 ZINC000638045895 351925238 /nfs/dbraw/zinc/92/52/38/351925238.db2.gz BDORUOAABICHNI-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000638047956 351925296 /nfs/dbraw/zinc/92/52/96/351925296.db2.gz LBUIGOQCXZGOKW-SNVBAGLBSA-N 2 0 229.368 0.688 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC(C)(C)[NH+](C)C ZINC000638049347 351927099 /nfs/dbraw/zinc/92/70/99/351927099.db2.gz DDLSEIVYJSVDSP-SECBINFHSA-N 2 0 215.341 0.441 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCCC[NH+](C)C ZINC000638049218 351927331 /nfs/dbraw/zinc/92/73/31/351927331.db2.gz XASUSVCFRBJLLS-VIFPVBQESA-N 2 0 201.314 0.052 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638049843 351927485 /nfs/dbraw/zinc/92/74/85/351927485.db2.gz OZHWCLXCMMLBGU-RYUDHWBXSA-N 2 0 237.347 0.634 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000638075830 351947959 /nfs/dbraw/zinc/94/79/59/351947959.db2.gz UOEQKKPVFLSZNK-AGIUHOORSA-N 2 0 249.358 0.777 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638060443 351933567 /nfs/dbraw/zinc/93/35/67/351933567.db2.gz VZMWORVSENZJNM-GFCCVEGCSA-N 2 0 237.347 0.587 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638071263 351943394 /nfs/dbraw/zinc/94/33/94/351943394.db2.gz BBWYHTIAXCBYAG-ZYHUDNBSSA-N 2 0 237.347 0.492 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000638071654 351943590 /nfs/dbraw/zinc/94/35/90/351943590.db2.gz HAVPFXRCZISNTB-ZJUUUORDSA-N 2 0 213.325 0.052 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000638071934 351943818 /nfs/dbraw/zinc/94/38/18/351943818.db2.gz IJINOKZVCISONS-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000638072295 351944544 /nfs/dbraw/zinc/94/45/44/351944544.db2.gz MGRJNUMINKYLPK-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000638144934 352007127 /nfs/dbraw/zinc/00/71/27/352007127.db2.gz PQAYMOXSVCUVJF-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC1CC[NH+](CC)CC1 ZINC000638078347 351951829 /nfs/dbraw/zinc/95/18/29/351951829.db2.gz JBZHUIJXZBGBAL-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000638080104 351953596 /nfs/dbraw/zinc/95/35/96/351953596.db2.gz YOXJDFZSBDUCSW-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H](CNC(=O)C1=CC[C@H]([NH3+])C1)[NH+](C)C ZINC000638080825 351953807 /nfs/dbraw/zinc/95/38/07/351953807.db2.gz REACOOKYXCZGCQ-WPRPVWTQSA-N 2 0 211.309 0.100 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000638081130 351954474 /nfs/dbraw/zinc/95/44/74/351954474.db2.gz VBTPMQBDDYFRQJ-QWRGUYRKSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000083847021 351957403 /nfs/dbraw/zinc/95/74/03/351957403.db2.gz IQQSQWNUGKQBDL-UBJLHIIHSA-N 2 0 225.336 0.465 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000638085590 351962194 /nfs/dbraw/zinc/96/21/94/351962194.db2.gz RQWPQWBMXAXVAN-NXEZZACHSA-N 2 0 215.341 0.441 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)CCC2C[NH2+]C2)C1 ZINC000638086691 351963820 /nfs/dbraw/zinc/96/38/20/351963820.db2.gz UMSZVIQSYHQWDI-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638086337 351963842 /nfs/dbraw/zinc/96/38/42/351963842.db2.gz XZPWWACZMQXIMZ-MWLCHTKSSA-N 2 0 225.336 0.490 20 0 BCADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)C1CCC1 ZINC000414868156 351970193 /nfs/dbraw/zinc/97/01/93/351970193.db2.gz HONWDJMZJSJFND-LLVKDONJSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@H]([NH3+])CC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000638098406 351977862 /nfs/dbraw/zinc/97/78/62/351977862.db2.gz FVNJKPZCCWHCDQ-VIFPVBQESA-N 2 0 245.286 0.943 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638097962 351979514 /nfs/dbraw/zinc/97/95/14/351979514.db2.gz YHDQPAAEWDSUNQ-LLVKDONJSA-N 2 0 225.336 0.490 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638097963 351980148 /nfs/dbraw/zinc/98/01/48/351980148.db2.gz YHDQPAAEWDSUNQ-NSHDSACASA-N 2 0 225.336 0.490 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000638100579 351980467 /nfs/dbraw/zinc/98/04/67/351980467.db2.gz KFRATBXVYWMEBL-ZJUUUORDSA-N 2 0 227.352 0.583 20 0 BCADRP CN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000638102216 351983628 /nfs/dbraw/zinc/98/36/28/351983628.db2.gz UCQOPOZCGBAZCS-DGCLKSJQSA-N 2 0 249.358 0.729 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000638126911 351998094 /nfs/dbraw/zinc/99/80/94/351998094.db2.gz RNLCDWRRNNYSAO-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000638133517 352000978 /nfs/dbraw/zinc/00/09/78/352000978.db2.gz IIGXRRQEFNXQPG-HOSYDEDBSA-N 2 0 239.363 0.583 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000638136333 352003001 /nfs/dbraw/zinc/00/30/01/352003001.db2.gz YDEJZEDFWCVKEW-AXFHLTTASA-N 2 0 239.363 0.726 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000638142917 352006622 /nfs/dbraw/zinc/00/66/22/352006622.db2.gz VWOJONXTZZUTMP-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP Cc1nc[nH]c1CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000638175938 352042425 /nfs/dbraw/zinc/04/24/25/352042425.db2.gz ACPVIAUBGWANQX-KWQFWETISA-N 2 0 236.319 0.375 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC000638182190 352049007 /nfs/dbraw/zinc/04/90/07/352049007.db2.gz WMKMMNQXERRQIX-GHMZBOCLSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638182404 352049339 /nfs/dbraw/zinc/04/93/39/352049339.db2.gz XIGDGKRGJUFEMG-ONGXEEELSA-N 2 0 225.336 0.100 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638212927 352075241 /nfs/dbraw/zinc/07/52/41/352075241.db2.gz AWBSWIHGTVZPQU-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)Cc1nc(CC)c[nH]1 ZINC000638213226 352075323 /nfs/dbraw/zinc/07/53/23/352075323.db2.gz GQIDHTFLBPTVIJ-SECBINFHSA-N 2 0 238.335 0.629 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638201035 352061669 /nfs/dbraw/zinc/06/16/69/352061669.db2.gz ACTGEQGJINVTAA-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638198809 352062555 /nfs/dbraw/zinc/06/25/55/352062555.db2.gz FZBYAPZPLXUUFT-MNOVXSKESA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC000638203765 352064858 /nfs/dbraw/zinc/06/48/58/352064858.db2.gz NQSUHCJBRQSOEN-GHMZBOCLSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638204086 352065987 /nfs/dbraw/zinc/06/59/87/352065987.db2.gz IJIHXNGGDJRYNM-QJPTWQEYSA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@H](C(=O)N1CC[NH2+][C@H](C)[C@@H]1C)[NH+](C)C ZINC000638205598 352067948 /nfs/dbraw/zinc/06/79/48/352067948.db2.gz IMDBGFYVUKRMFP-OUAUKWLOSA-N 2 0 227.352 0.535 20 0 BCADRP CC[C@H]1CN(C(=O)C[C@H](C)[NH3+])CC[C@@H]1[NH3+] ZINC000638208271 352070831 /nfs/dbraw/zinc/07/08/31/352070831.db2.gz RSUASJOANFWXAL-GUBZILKMSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH2+]1 ZINC000638209740 352072331 /nfs/dbraw/zinc/07/23/31/352072331.db2.gz FLJUBMATIJXXNH-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000638209620 352072419 /nfs/dbraw/zinc/07/24/19/352072419.db2.gz FAJWCQKTFYAXFR-OPRDCNLKSA-N 2 0 213.325 0.193 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH3+])CC[N@@H+]1C ZINC000638153097 352017487 /nfs/dbraw/zinc/01/74/87/352017487.db2.gz BYNVNYBASCGQNA-OUAUKWLOSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000638153429 352017541 /nfs/dbraw/zinc/01/75/41/352017541.db2.gz VHNQHMIZWWSHED-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1CN(C(=O)CCC2C[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000638157111 352021291 /nfs/dbraw/zinc/02/12/91/352021291.db2.gz BVKHOTHIQPVEPL-ZJUUUORDSA-N 2 0 225.336 0.195 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)[NH2+]CC ZINC000638159954 352023805 /nfs/dbraw/zinc/02/38/05/352023805.db2.gz UCNFWQJSWVTUBN-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC000638160472 352024757 /nfs/dbraw/zinc/02/47/57/352024757.db2.gz XXTFDDMBLAWKPK-WDEREUQCSA-N 2 0 239.363 0.537 20 0 BCADRP Cc1cncn1CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000638168606 352036203 /nfs/dbraw/zinc/03/62/03/352036203.db2.gz NANGZJGFZZFUFP-CYBMUJFWSA-N 2 0 248.330 0.404 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(Cc2ncnn2C)C1 ZINC000083970078 352118542 /nfs/dbraw/zinc/11/85/42/352118542.db2.gz RCXLZYDNUFDCBQ-ZJUUUORDSA-N 2 0 223.324 0.374 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(Cc2ncnn2C)C1 ZINC000083970077 352118763 /nfs/dbraw/zinc/11/87/63/352118763.db2.gz RCXLZYDNUFDCBQ-UWVGGRQHSA-N 2 0 223.324 0.374 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000638285027 352122095 /nfs/dbraw/zinc/12/20/95/352122095.db2.gz FCQCXFAUAWRFCG-TUAOUCFPSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000638285022 352122201 /nfs/dbraw/zinc/12/22/01/352122201.db2.gz FCQCXFAUAWRFCG-QJPTWQEYSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CCC[NH+](C)C ZINC000638290443 352126576 /nfs/dbraw/zinc/12/65/76/352126576.db2.gz SVURABGOYWFHRO-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCC[NH+](C)C ZINC000638290442 352126671 /nfs/dbraw/zinc/12/66/71/352126671.db2.gz SVURABGOYWFHRO-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000638218606 352078066 /nfs/dbraw/zinc/07/80/66/352078066.db2.gz DNATUPFCPOTUHP-DGCLKSJQSA-N 2 0 239.363 0.526 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000638218607 352078482 /nfs/dbraw/zinc/07/84/82/352078482.db2.gz DNATUPFCPOTUHP-WCQYABFASA-N 2 0 239.363 0.526 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000638218973 352078750 /nfs/dbraw/zinc/07/87/50/352078750.db2.gz FIOAVSNXNWOURI-YPMHNXCESA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000638218968 352078791 /nfs/dbraw/zinc/07/87/91/352078791.db2.gz FIOAVSNXNWOURI-AAEUAGOBSA-N 2 0 241.379 0.947 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000638220902 352079980 /nfs/dbraw/zinc/07/99/80/352079980.db2.gz UDTYOVXXHIYJPR-MWLCHTKSSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638223727 352083040 /nfs/dbraw/zinc/08/30/40/352083040.db2.gz ZBGFHNSSRICCGY-DCAQKATOSA-N 2 0 241.310 0.192 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000638229202 352084849 /nfs/dbraw/zinc/08/48/49/352084849.db2.gz DLBHQRDHFJOBEX-HJGDQZAQSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@H](C(=O)N[C@H]1[C@H](C)CC[NH2+][C@@H]1C)[NH+](C)C ZINC000638229705 352085061 /nfs/dbraw/zinc/08/50/61/352085061.db2.gz GRSPHDIVHXDESV-DBIOUOCHSA-N 2 0 227.352 0.439 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000638236050 352086735 /nfs/dbraw/zinc/08/67/35/352086735.db2.gz UKVOTQINROCMNS-DCAQKATOSA-N 2 0 227.352 0.698 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000638245109 352092373 /nfs/dbraw/zinc/09/23/73/352092373.db2.gz RQSJMDIDXZUDEE-QWRGUYRKSA-N 2 0 235.331 0.292 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000638246841 352093286 /nfs/dbraw/zinc/09/32/86/352093286.db2.gz FTZFGQYZXLIXNL-VWYCJHECSA-N 2 0 243.326 0.144 20 0 BCADRP C[NH+](C)CC1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000638246863 352093387 /nfs/dbraw/zinc/09/33/87/352093387.db2.gz GOWGPHKJXJVRGT-UWVGGRQHSA-N 2 0 243.326 0.144 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](C)CCC[NH3+] ZINC000638252111 352095256 /nfs/dbraw/zinc/09/52/56/352095256.db2.gz PDKMXZQGUWAPLD-MNOVXSKESA-N 2 0 229.368 0.994 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638252134 352095825 /nfs/dbraw/zinc/09/58/25/352095825.db2.gz PPMLUKUKZOQKGL-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH3+])CC[N@@H+]1C ZINC000638252758 352095973 /nfs/dbraw/zinc/09/59/73/352095973.db2.gz VXNSLNSVCBTZRS-SDDRHHMPSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C1(C[NH+](C)C)CC1 ZINC000638254720 352097700 /nfs/dbraw/zinc/09/77/00/352097700.db2.gz IIEUCUCDLUYOFL-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)C1=CC[C@H]([NH3+])C1)C(F)F ZINC000638254854 352097916 /nfs/dbraw/zinc/09/79/16/352097916.db2.gz HOHVULXFTLGWJV-JGVFFNPUSA-N 2 0 233.262 0.133 20 0 BCADRP [NH3+]CC[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)C(F)F ZINC000638254856 352097984 /nfs/dbraw/zinc/09/79/84/352097984.db2.gz HOHVULXFTLGWJV-SFYZADRCSA-N 2 0 233.262 0.133 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC000638254864 352098126 /nfs/dbraw/zinc/09/81/26/352098126.db2.gz IZLVKFGUONKNCE-UWVGGRQHSA-N 2 0 229.368 0.816 20 0 BCADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC([NH3+])C1 ZINC000638256638 352099925 /nfs/dbraw/zinc/09/99/25/352099925.db2.gz WOIOTIVFZXJQDG-ILDUYXDCSA-N 2 0 225.336 0.419 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000638258559 352102606 /nfs/dbraw/zinc/10/26/06/352102606.db2.gz HXEJLMQUTWBKPW-QMMMGPOBSA-N 2 0 249.305 0.427 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H](CC[NH3+])C(F)F)C1 ZINC000638259759 352103110 /nfs/dbraw/zinc/10/31/10/352103110.db2.gz SOEHFDSMMZNANM-RKDXNWHRSA-N 2 0 249.305 0.427 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CC[NH2+]CC1(C)C)[NH+](C)C ZINC000638261116 352103490 /nfs/dbraw/zinc/10/34/90/352103490.db2.gz CIWMYRJUEBVZQU-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000638261434 352103612 /nfs/dbraw/zinc/10/36/12/352103612.db2.gz GJWYNQWAPOZSGW-MNOVXSKESA-N 2 0 227.352 0.633 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000638260859 352103713 /nfs/dbraw/zinc/10/37/13/352103713.db2.gz BVZPHBDGUBYVFQ-SRVKXCTJSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000638263322 352105648 /nfs/dbraw/zinc/10/56/48/352105648.db2.gz WUHBTCCHLIYSGN-NWDGAFQWSA-N 2 0 237.347 0.682 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000638266196 352106162 /nfs/dbraw/zinc/10/61/62/352106162.db2.gz BVALWNNIQUWMER-QWRGUYRKSA-N 2 0 239.363 0.572 20 0 BCADRP Cc1cncn1CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000638267442 352106730 /nfs/dbraw/zinc/10/67/30/352106730.db2.gz RLXLVBLVFONCRP-SNVBAGLBSA-N 2 0 236.319 0.448 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000638333406 352151662 /nfs/dbraw/zinc/15/16/62/352151662.db2.gz QURSKHVSQMWWOU-JGVFFNPUSA-N 2 0 201.314 0.213 20 0 BCADRP CC[C@H](C(=O)N[C@@H](C[NH3+])C(C)(C)C)[NH+](C)C ZINC000638333358 352151694 /nfs/dbraw/zinc/15/16/94/352151694.db2.gz QDOBTPLMWOPHAQ-ZJUUUORDSA-N 2 0 229.368 0.816 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000638333425 352151795 /nfs/dbraw/zinc/15/17/95/352151795.db2.gz XDXPXXHPDVUABY-RYUDHWBXSA-N 2 0 241.379 0.946 20 0 BCADRP CCc1c[nH]c(CC(=O)N(C)CCC[NH2+]C)n1 ZINC000638343243 352162579 /nfs/dbraw/zinc/16/25/79/352162579.db2.gz IPJIGQJWTVEKMV-UHFFFAOYSA-N 2 0 238.335 0.583 20 0 BCADRP C[NH2+]CCCN(C)C(=O)c1oc(C[NH3+])cc1C ZINC000638345749 352165128 /nfs/dbraw/zinc/16/51/28/352165128.db2.gz XWRZLEZWAILDDD-UHFFFAOYSA-N 2 0 239.319 0.728 20 0 BCADRP C[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C)[NH+](C)C ZINC000638358175 352170295 /nfs/dbraw/zinc/17/02/95/352170295.db2.gz UAMVKOCFLNOKHX-WRWGMCAJSA-N 2 0 241.379 0.768 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000638364289 352177060 /nfs/dbraw/zinc/17/70/60/352177060.db2.gz FPGSRGZIZMELSH-IVZWLZJFSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638370974 352184419 /nfs/dbraw/zinc/18/44/19/352184419.db2.gz OEHBMCBNBWVNBC-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](C(=O)N1CC2CCC1(C[NH3+])CC2)[NH+](C)C ZINC000638380006 352190401 /nfs/dbraw/zinc/19/04/01/352190401.db2.gz TWRIWZCHUXDCRX-XSRFYTQQSA-N 2 0 239.363 0.666 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000638382065 352193822 /nfs/dbraw/zinc/19/38/22/352193822.db2.gz RXCYBWUNBLATHU-XSRFYTQQSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCc1ccc(C[NH3+])cc1F ZINC000638388463 352195944 /nfs/dbraw/zinc/19/59/44/352195944.db2.gz WFRFLCUZZMNSDN-QMMMGPOBSA-N 2 0 239.294 0.638 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000638389578 352196562 /nfs/dbraw/zinc/19/65/62/352196562.db2.gz HTDLLEOAWPNJFZ-DCAQKATOSA-N 2 0 227.352 0.700 20 0 BCADRP CC[C@@H](C(=O)N[C@H](C[NH3+])C1CCCC1)[NH+](C)C ZINC000638325800 352144925 /nfs/dbraw/zinc/14/49/25/352144925.db2.gz GYYZOIPUEZNFQS-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000638325058 352146091 /nfs/dbraw/zinc/14/60/91/352146091.db2.gz YEBCRCOIFLQAJI-JTQLQIEISA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C1=CC[C@@H]([NH3+])C1)C1CCCC1 ZINC000638326830 352146831 /nfs/dbraw/zinc/14/68/31/352146831.db2.gz QHJVYLQRVVXQQX-VXGBXAGGSA-N 2 0 237.347 0.668 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000638330713 352148675 /nfs/dbraw/zinc/14/86/75/352148675.db2.gz SPCXSLFSGHNPAO-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000638426803 352235095 /nfs/dbraw/zinc/23/50/95/352235095.db2.gz GRFWCIHTHSHLGR-AKJDGMEZSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638433169 352242359 /nfs/dbraw/zinc/24/23/59/352242359.db2.gz QYPUZAGVHQROBH-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000638394927 352201047 /nfs/dbraw/zinc/20/10/47/352201047.db2.gz MUIMDOXQWMBSBA-LPEHRKFASA-N 2 0 213.325 0.180 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638402311 352208414 /nfs/dbraw/zinc/20/84/14/352208414.db2.gz MHJMWLNSRZATOS-JTQLQIEISA-N 2 0 227.352 0.524 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)CC(C)(C)[NH3+] ZINC000638402572 352209139 /nfs/dbraw/zinc/20/91/39/352209139.db2.gz RBNUFBKJJLZNRU-QMMMGPOBSA-N 2 0 201.314 0.180 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000638437768 352245361 /nfs/dbraw/zinc/24/53/61/352245361.db2.gz UVRVECMYPOEZDT-CMPLNLGQSA-N 2 0 227.352 0.618 20 0 BCADRP C[N@H+](CC(=O)N[C@@]1(C)CC[NH2+]C1)CC(C)(C)C ZINC000638440786 352246885 /nfs/dbraw/zinc/24/68/85/352246885.db2.gz QSFKIVQTXGMNAD-ZDUSSCGKSA-N 2 0 241.379 0.833 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000638439113 352249108 /nfs/dbraw/zinc/24/91/08/352249108.db2.gz HGHMCEGUYMMIPR-GFCCVEGCSA-N 2 0 237.303 0.529 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638499208 352318637 /nfs/dbraw/zinc/31/86/37/352318637.db2.gz NMLFQZOETPDZGA-VIFPVBQESA-N 2 0 225.336 0.515 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)NC2CC[NH2+]CC2)C[NH2+]1 ZINC000627062108 363177193 /nfs/dbraw/zinc/17/71/93/363177193.db2.gz XWGKCXBRSCYEGY-ONGXEEELSA-N 2 0 240.351 0.178 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638499592 352319281 /nfs/dbraw/zinc/31/92/81/352319281.db2.gz QWTZRBVLKHUZAL-PWSUYJOCSA-N 2 0 239.363 0.905 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC[NH2+]C1CC1 ZINC000627063686 363179501 /nfs/dbraw/zinc/17/95/01/363179501.db2.gz KJPADXHPQOIRBB-GXSJLCMTSA-N 2 0 240.351 0.178 20 0 BCADRP C[NH2+]CCCNC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000627063538 363179515 /nfs/dbraw/zinc/17/95/15/363179515.db2.gz RUAPKWPQSADNBY-NSHDSACASA-N 2 0 242.367 0.235 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638484239 352294428 /nfs/dbraw/zinc/29/44/28/352294428.db2.gz POMRHPKWEWHLAV-VHSXEESVSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)CC[C@@H](C)[NH3+] ZINC000638487611 352296581 /nfs/dbraw/zinc/29/65/81/352296581.db2.gz BXOBTTMAVLKDQN-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000638487997 352298428 /nfs/dbraw/zinc/29/84/28/352298428.db2.gz DDSCDEXJHRQUEL-TUAOUCFPSA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000638489548 352300646 /nfs/dbraw/zinc/30/06/46/352300646.db2.gz NVYSGEOTORFGTI-RYUDHWBXSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000638489549 352301043 /nfs/dbraw/zinc/30/10/43/352301043.db2.gz NVYSGEOTORFGTI-VXGBXAGGSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638491481 352302282 /nfs/dbraw/zinc/30/22/82/352302282.db2.gz GFEVSMZGFRTOAM-UWVGGRQHSA-N 2 0 213.325 0.051 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638491985 352303900 /nfs/dbraw/zinc/30/39/00/352303900.db2.gz QDFZXIMXYDSFMX-VXGBXAGGSA-N 2 0 237.347 0.490 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638491974 352304072 /nfs/dbraw/zinc/30/40/72/352304072.db2.gz QDFZXIMXYDSFMX-RYUDHWBXSA-N 2 0 237.347 0.490 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638491968 352304130 /nfs/dbraw/zinc/30/41/30/352304130.db2.gz QDFZXIMXYDSFMX-NEPJUHHUSA-N 2 0 237.347 0.490 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638492148 352304328 /nfs/dbraw/zinc/30/43/28/352304328.db2.gz MMDNFCTZZQDKHG-LLVKDONJSA-N 2 0 227.352 0.441 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638498739 352320346 /nfs/dbraw/zinc/32/03/46/352320346.db2.gz LXPWGQLLQSLWHF-DCAQKATOSA-N 2 0 239.363 0.761 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638500956 352320946 /nfs/dbraw/zinc/32/09/46/352320946.db2.gz WUVMGXKEPOHICJ-DTWKUNHWSA-N 2 0 211.309 0.125 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638505300 352326762 /nfs/dbraw/zinc/32/67/62/352326762.db2.gz KQGYCCRISMJREY-NSHDSACASA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@@H]2CC[NH2+]C23CCC3)co1 ZINC000638506079 352327842 /nfs/dbraw/zinc/32/78/42/352327842.db2.gz PWZGCEHLXWEBAW-LLVKDONJSA-N 2 0 249.314 0.753 20 0 BCADRP [NH3+]CCCCC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638508219 352329736 /nfs/dbraw/zinc/32/97/36/352329736.db2.gz MLJRUGKBLHPKNJ-JTQLQIEISA-N 2 0 225.336 0.516 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000638510285 352333181 /nfs/dbraw/zinc/33/31/81/352333181.db2.gz HZKWPJCMCVXTTC-AEJSXWLSSA-N 2 0 223.320 0.125 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000638511966 352334755 /nfs/dbraw/zinc/33/47/55/352334755.db2.gz HZKWPJCMCVXTTC-GUBZILKMSA-N 2 0 223.320 0.125 20 0 BCADRP O=C(CCC1C[NH2+]C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638512071 352337716 /nfs/dbraw/zinc/33/77/16/352337716.db2.gz IIPSLJLRYTYWSS-NSHDSACASA-N 2 0 237.347 0.387 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000638516030 352343199 /nfs/dbraw/zinc/34/31/99/352343199.db2.gz KMAFYONUYPUITC-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000638516234 352343548 /nfs/dbraw/zinc/34/35/48/352343548.db2.gz OZZVKCKDNAZFAY-UWVGGRQHSA-N 2 0 215.341 0.413 20 0 BCADRP CCN(CC[NH3+])C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000638516754 352345342 /nfs/dbraw/zinc/34/53/42/352345342.db2.gz WRWAGZOKCQRMTI-NSHDSACASA-N 2 0 229.368 0.805 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000638517552 352348261 /nfs/dbraw/zinc/34/82/61/352348261.db2.gz VSNLILXTOPKBMA-QMMMGPOBSA-N 2 0 235.278 0.038 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000638517637 352348455 /nfs/dbraw/zinc/34/84/55/352348455.db2.gz XZPKFIRUZVMGNX-GFCCVEGCSA-N 2 0 235.331 0.802 20 0 BCADRP CC(C)([NH3+])CCC(=O)NCC1([NH3+])CCOCC1 ZINC000638535076 352366510 /nfs/dbraw/zinc/36/65/10/352366510.db2.gz IUKGHFIGEXVSAE-UHFFFAOYSA-N 2 0 243.351 0.128 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC1([NH3+])CCOCC1 ZINC000638535904 352367274 /nfs/dbraw/zinc/36/72/74/352367274.db2.gz SXWBIVZVBHWSIV-LLVKDONJSA-N 2 0 243.351 0.128 20 0 BCADRP CC1(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC[NH2+]CC1 ZINC000577851855 366083569 /nfs/dbraw/zinc/08/35/69/366083569.db2.gz NBWKGUSYLANIKR-MFKMUULPSA-N 2 0 237.347 0.244 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](C)[NH+](C)C ZINC000638573729 352400346 /nfs/dbraw/zinc/40/03/46/352400346.db2.gz JDMAOLGCBCBHIT-KXUCPTDWSA-N 2 0 213.325 0.193 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000638572368 352400613 /nfs/dbraw/zinc/40/06/13/352400613.db2.gz JVOYDBOXPHIVGQ-AATLWQCWSA-N 2 0 213.325 0.226 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(C)(C)C[NH3+] ZINC000638566876 352394077 /nfs/dbraw/zinc/39/40/77/352394077.db2.gz GGBMCCZHONUUDZ-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CC[C@H](C)[NH3+] ZINC000638571940 352396841 /nfs/dbraw/zinc/39/68/41/352396841.db2.gz BTFYDPVSGMGMMP-LPEHRKFASA-N 2 0 213.325 0.371 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638570801 352398129 /nfs/dbraw/zinc/39/81/29/352398129.db2.gz ABWBEZNCTHWZMY-TUAOUCFPSA-N 2 0 239.363 0.727 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638571874 352398976 /nfs/dbraw/zinc/39/89/76/352398976.db2.gz AVDNKQBHICPSLX-WISYIIOYSA-N 2 0 239.363 0.631 20 0 BCADRP CC[C@H](C(=O)N(C)CCOCC[NH2+]C)[NH+](C)C ZINC000638593346 352423610 /nfs/dbraw/zinc/42/36/10/352423610.db2.gz ADKADLAPENCNEB-LLVKDONJSA-N 2 0 245.367 0.021 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000638574059 352403635 /nfs/dbraw/zinc/40/36/35/352403635.db2.gz NVDUMIZMCZQWPS-NNYUYHANSA-N 2 0 241.379 0.863 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638574510 352404946 /nfs/dbraw/zinc/40/49/46/352404946.db2.gz UZTNFZFTDSREJO-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000638574845 352405503 /nfs/dbraw/zinc/40/55/03/352405503.db2.gz VSHISISETWEZDU-AXFHLTTASA-N 2 0 239.363 0.631 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638577404 352405842 /nfs/dbraw/zinc/40/58/42/352405842.db2.gz YTIIPMHFUQWDDK-LPEHRKFASA-N 2 0 213.325 0.241 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CC1([NH3+])CC1 ZINC000638576633 352407692 /nfs/dbraw/zinc/40/76/92/352407692.db2.gz PNXDOJGLJKHZIX-DTWKUNHWSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])C[NH2+]1 ZINC000638652001 352492519 /nfs/dbraw/zinc/49/25/19/352492519.db2.gz PXSSARKKADJQJV-NNYUYHANSA-N 2 0 239.363 0.761 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000577852076 366083828 /nfs/dbraw/zinc/08/38/28/366083828.db2.gz VPCVVGXERFBNNJ-RXMQYKEDSA-N 2 0 227.230 0.120 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC[N@@H+]1C ZINC000638650801 352492720 /nfs/dbraw/zinc/49/27/20/352492720.db2.gz MTLQENQJZNUQAP-IRCOFANPSA-N 2 0 239.363 0.583 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638653806 352493781 /nfs/dbraw/zinc/49/37/81/352493781.db2.gz HJORRMCCFJXBNF-AXFHLTTASA-N 2 0 227.352 0.617 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NC[C@@H](C)[NH3+] ZINC000638634819 352476051 /nfs/dbraw/zinc/47/60/51/352476051.db2.gz GROHFWZUIWZQRA-MRVPVSSYSA-N 2 0 216.329 0.150 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638638487 352479588 /nfs/dbraw/zinc/47/95/88/352479588.db2.gz DLBMQEHBUOKSSA-IVZWLZJFSA-N 2 0 213.325 0.241 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[NH+](C)C ZINC000638639842 352481725 /nfs/dbraw/zinc/48/17/25/352481725.db2.gz NTSQFXLXRLEJMS-OUAUKWLOSA-N 2 0 227.352 0.583 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)c2ccnc(C[NH3+])c2)C[NH2+]1 ZINC000638640760 352482475 /nfs/dbraw/zinc/48/24/75/352482475.db2.gz BTNDHNCKKILYCF-ONGXEEELSA-N 2 0 248.330 0.411 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638642420 352483925 /nfs/dbraw/zinc/48/39/25/352483925.db2.gz GOLNPKGNVAIKGJ-UWVGGRQHSA-N 2 0 213.325 0.241 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638642427 352483952 /nfs/dbraw/zinc/48/39/52/352483952.db2.gz GOLNPKGNVAIKGJ-ZJUUUORDSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)C[NH2+]1 ZINC000638641557 352485021 /nfs/dbraw/zinc/48/50/21/352485021.db2.gz DRMGTGYVLOAGKY-DVVUODLYSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)c2c[nH+]ccc2N)C[NH2+]1 ZINC000638642034 352485605 /nfs/dbraw/zinc/48/56/05/352485605.db2.gz HHUMARGIHYHECN-DTWKUNHWSA-N 2 0 234.303 0.364 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000638643533 352485956 /nfs/dbraw/zinc/48/59/56/352485956.db2.gz LRNSSDORJOSOEE-HBNTYKKESA-N 2 0 225.336 0.243 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638643574 352486333 /nfs/dbraw/zinc/48/63/33/352486333.db2.gz LYLMYVGIBIAVFZ-HBNTYKKESA-N 2 0 227.352 0.631 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638645378 352487748 /nfs/dbraw/zinc/48/77/48/352487748.db2.gz VJQPMHNQCBDBCX-IVZWLZJFSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@H]2[NH2+]CC2(C)C)C[NH2+]1 ZINC000638645690 352489560 /nfs/dbraw/zinc/48/95/60/352489560.db2.gz WRFOUWOVCVSEJZ-KXUCPTDWSA-N 2 0 225.336 0.241 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)C2([NH3+])CCC2)C[NH2+]1 ZINC000638646048 352489575 /nfs/dbraw/zinc/48/95/75/352489575.db2.gz XLLXBDHLXYMZLN-RKDXNWHRSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)CC2CC[NH2+]CC2)C[NH2+]1 ZINC000638652867 352495004 /nfs/dbraw/zinc/49/50/04/352495004.db2.gz BSNKMSYHVBUIOF-JQWIXIFHSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)C[NH2+]CC2CC2)C[NH2+]1 ZINC000638655433 352496848 /nfs/dbraw/zinc/49/68/48/352496848.db2.gz QTMOTAHSXAHJRB-MWLCHTKSSA-N 2 0 225.336 0.243 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638654515 352497518 /nfs/dbraw/zinc/49/75/18/352497518.db2.gz LSURCFHPPUJRCL-AEJSXWLSSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)C2([NH3+])CCCCC2)C[NH2+]1 ZINC000638655881 352498415 /nfs/dbraw/zinc/49/84/15/352498415.db2.gz RSAQKNYSHHTWNX-GHMZBOCLSA-N 2 0 239.363 0.905 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C[NH2+]1 ZINC000638657777 352500928 /nfs/dbraw/zinc/50/09/28/352500928.db2.gz YLYCYRHWLHVWRP-OPRDCNLKSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C[NH2+]1 ZINC000638657776 352501095 /nfs/dbraw/zinc/50/10/95/352501095.db2.gz YLYCYRHWLHVWRP-LPEHRKFASA-N 2 0 227.352 0.617 20 0 BCADRP CC(C)[C@@H](C(=O)NCCOCCC[NH3+])[NH+](C)C ZINC000638660648 352503479 /nfs/dbraw/zinc/50/34/79/352503479.db2.gz GSYPXTMLLCSGAW-NSHDSACASA-N 2 0 245.367 0.054 20 0 BCADRP CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638667776 352510542 /nfs/dbraw/zinc/51/05/42/352510542.db2.gz DFNFMBFURGJEJU-NSHDSACASA-N 2 0 249.314 0.844 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NC/C=C\C[NH3+] ZINC000638690921 352528443 /nfs/dbraw/zinc/52/84/43/352528443.db2.gz WELRWAJIRDTBGN-UMCURTJPSA-N 2 0 228.340 0.318 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000638730348 352593468 /nfs/dbraw/zinc/59/34/68/352593468.db2.gz VOXBXTADWROICB-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000040503520 352597781 /nfs/dbraw/zinc/59/77/81/352597781.db2.gz JGHQCVJSGDIWEX-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CN(C(=O)[C@@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000040458336 352598160 /nfs/dbraw/zinc/59/81/60/352598160.db2.gz CLQNGOXEKWKANI-NSHDSACASA-N 2 0 225.336 0.291 20 0 BCADRP C[NH+]1CCC(NC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000042166025 352614731 /nfs/dbraw/zinc/61/47/31/352614731.db2.gz ADJCOAZYYRTSHB-LLVKDONJSA-N 2 0 225.336 0.339 20 0 BCADRP CC[NH+]1CCC(NC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000042170465 352615403 /nfs/dbraw/zinc/61/54/03/352615403.db2.gz GXCHKLLHYNBBAP-LBPRGKRZSA-N 2 0 239.363 0.729 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000041680056 352615969 /nfs/dbraw/zinc/61/59/69/352615969.db2.gz CBPGIOGPKTVYAA-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000041680050 352616049 /nfs/dbraw/zinc/61/60/49/352616049.db2.gz VCBJKHVHWMKRMH-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC000044526658 352654500 /nfs/dbraw/zinc/65/45/00/352654500.db2.gz LOCPKPORQOJDHK-ZYHUDNBSSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000044804912 352656935 /nfs/dbraw/zinc/65/69/35/352656935.db2.gz DPDALRJPRMYHQI-SNVBAGLBSA-N 2 0 225.336 0.135 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000044806754 352657291 /nfs/dbraw/zinc/65/72/91/352657291.db2.gz SFMPOWSGAZSAOW-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000234263394 187773794 /nfs/dbraw/zinc/77/37/94/187773794.db2.gz VXYMKWNXSVIUID-VXGBXAGGSA-N 3 0 229.368 0.282 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000638773762 352719499 /nfs/dbraw/zinc/71/94/99/352719499.db2.gz QIGZOWJSLJUTSN-CYZMBNFOSA-N 2 0 247.342 0.423 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638767208 352706643 /nfs/dbraw/zinc/70/66/43/352706643.db2.gz AXANPWUKSHNJGK-QEYWKRMJSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000638773405 352713898 /nfs/dbraw/zinc/71/38/98/352713898.db2.gz LBBONVZWJOWFRT-DTWKUNHWSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000638774269 352716308 /nfs/dbraw/zinc/71/63/08/352716308.db2.gz ZOKWTWRIWRHMFA-VHSXEESVSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[NH+]1CCC(N(C)C(=O)C2C[NH2+]C2)CC1 ZINC000091415288 187872012 /nfs/dbraw/zinc/87/20/12/187872012.db2.gz ZXRXEKZVQQCBER-UHFFFAOYSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]1[C@H](CO)CCC[N@@H+]1CCn1ccnc1 ZINC000412068156 191252158 /nfs/dbraw/zinc/25/21/58/191252158.db2.gz DYLYPJMGVVAPFA-RYUDHWBXSA-N 2 0 223.320 0.976 20 0 BCADRP CN1CCN(C(=O)C[N@@H+]2CCC23CCC3)CC1 ZINC000334270082 352906219 /nfs/dbraw/zinc/90/62/19/352906219.db2.gz DXZARXNJNJSNAW-UHFFFAOYSA-N 2 0 237.347 0.389 20 0 BCADRP [NH3+]CC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000390153085 352932344 /nfs/dbraw/zinc/93/23/44/352932344.db2.gz VDUURZYRPMLTLW-UHFFFAOYSA-N 2 0 205.261 0.230 20 0 BCADRP CCN1C[C@H](C)[C@H]([NH2+]CCCOCCOC)C1 ZINC000343034146 352940982 /nfs/dbraw/zinc/94/09/82/352940982.db2.gz MRECMVQUTWSRSO-QWHCGFSZSA-N 2 0 244.379 0.969 20 0 BCADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCCOCCOC)C1 ZINC000343034145 352941062 /nfs/dbraw/zinc/94/10/62/352941062.db2.gz MRECMVQUTWSRSO-OLZOCXBDSA-N 2 0 244.379 0.969 20 0 BCADRP CN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1C[NH+]2CCC1CC2 ZINC000638854625 353029270 /nfs/dbraw/zinc/02/92/70/353029270.db2.gz SAGNNPOYAMBHBM-SRVKXCTJSA-N 2 0 237.347 0.276 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CCCCC[C@@H]([NH3+])C2)C1 ZINC000638814862 352995515 /nfs/dbraw/zinc/99/55/15/352995515.db2.gz IWPQSJYGQXMOEP-VXGBXAGGSA-N 2 0 237.347 0.764 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000638818676 352998926 /nfs/dbraw/zinc/99/89/26/352998926.db2.gz FANNNEUOUMOEMK-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638819573 352999375 /nfs/dbraw/zinc/99/93/75/352999375.db2.gz KTKMOYIEWHQHFN-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@]1(C(=O)N2CCCCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000638821882 353002428 /nfs/dbraw/zinc/00/24/28/353002428.db2.gz CKJVAHHHHBYEFK-YPMHNXCESA-N 2 0 239.363 0.716 20 0 BCADRP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638909412 353066398 /nfs/dbraw/zinc/06/63/98/353066398.db2.gz HETPAYYNTKRQPB-MOLYVOAJSA-N 2 0 249.358 0.480 20 0 BCADRP C[NH2+]CCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629531111 538107760 /nfs/dbraw/zinc/10/77/60/538107760.db2.gz AHROXTANXWBQAH-FOSCPWQOSA-N 3 0 227.352 0.095 20 0 BCADRP [NH3+]CCC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638874739 353044949 /nfs/dbraw/zinc/04/49/49/353044949.db2.gz WVFUJWPFMOBSMS-GFCCVEGCSA-N 2 0 235.331 0.412 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638880460 353048029 /nfs/dbraw/zinc/04/80/29/353048029.db2.gz LSUYVDVFBDAWEQ-CHWSQXEVSA-N 2 0 249.358 0.800 20 0 BCADRP C[C@@H]1CN(C(=O)CC(C)(C)[NH3+])C[C@H]1C[NH3+] ZINC000638885001 353051887 /nfs/dbraw/zinc/05/18/87/353051887.db2.gz LODWMXKWQJFASR-RKDXNWHRSA-N 2 0 213.325 0.167 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638919991 353078714 /nfs/dbraw/zinc/07/87/14/353078714.db2.gz XCEAAIWNYSTZHC-KKOKHZNYSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+]C1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC2(CCC2)C1 ZINC000638916992 353080719 /nfs/dbraw/zinc/08/07/19/353080719.db2.gz JHTWZERCWDHZNO-UWVGGRQHSA-N 2 0 235.331 0.221 20 0 BCADRP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917338 353081297 /nfs/dbraw/zinc/08/12/97/353081297.db2.gz OGFRWDBAWGWURJ-YFKTTZPYSA-N 2 0 235.331 0.090 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919434 353083718 /nfs/dbraw/zinc/08/37/18/353083718.db2.gz PFVOYCFBBNLVPH-AXFHLTTASA-N 2 0 225.336 0.323 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000638924889 353085543 /nfs/dbraw/zinc/08/55/43/353085543.db2.gz HUKNDGTWFHOKNA-TUAOUCFPSA-N 2 0 239.363 0.535 20 0 BCADRP O=C(N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1([NH2+]C2CC2)CCC1 ZINC000638926153 353086719 /nfs/dbraw/zinc/08/67/19/353086719.db2.gz BWMFPHUKGPOFNI-TXEJJXNPSA-N 2 0 249.358 0.624 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1CCc2nccn2C1 ZINC000638930141 353090983 /nfs/dbraw/zinc/09/09/83/353090983.db2.gz IULCNQIXSXMDSQ-GMTAPVOTSA-N 2 0 248.330 0.394 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000638930572 353091385 /nfs/dbraw/zinc/09/13/85/353091385.db2.gz HZIAJIICTYCZKQ-MXWKQRLJSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000638931451 353092404 /nfs/dbraw/zinc/09/24/04/353092404.db2.gz LZORLPXTNMHKDR-KOLCDFICSA-N 2 0 244.298 0.896 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638931495 353092513 /nfs/dbraw/zinc/09/25/13/353092513.db2.gz MPBNWCAMTXHVER-ZNSHCXBVSA-N 2 0 225.336 0.323 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC[N@@H+]1C ZINC000638931533 353093136 /nfs/dbraw/zinc/09/31/36/353093136.db2.gz PXUXJPWQRKKRSE-NOOOWODRSA-N 2 0 239.363 0.665 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638933132 353095000 /nfs/dbraw/zinc/09/50/00/353095000.db2.gz WUGHWCKJQXUSDJ-GMTAPVOTSA-N 2 0 241.379 0.959 20 0 BCADRP CC[C@H](C(=O)N1C[C@H]([NH3+])C[C@H]1C)[NH+](C)C ZINC000638933760 353096152 /nfs/dbraw/zinc/09/61/52/353096152.db2.gz ZQFHKOCVZAQVAM-OPRDCNLKSA-N 2 0 213.325 0.275 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000638933907 353096772 /nfs/dbraw/zinc/09/67/72/353096772.db2.gz DAOIVDIDEZSJAU-WRWGMCAJSA-N 2 0 239.363 0.807 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638928504 353098099 /nfs/dbraw/zinc/09/80/99/353098099.db2.gz AGHUKFPTLGUBKZ-GRYCIOLGSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C1(C[NH+](C)C)CC1 ZINC000638928944 353098840 /nfs/dbraw/zinc/09/88/40/353098840.db2.gz CYSZVELIVQUUMW-UWVGGRQHSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC[N@@H+]1C ZINC000638929104 353098980 /nfs/dbraw/zinc/09/89/80/353098980.db2.gz NQPYCKCNBDYROQ-ZRUFSTJUSA-N 2 0 225.336 0.275 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638937046 353100780 /nfs/dbraw/zinc/10/07/80/353100780.db2.gz DWMHTJOZKOHLPX-WYUUTHIRSA-N 2 0 237.347 0.337 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638943094 353141462 /nfs/dbraw/zinc/14/14/62/353141462.db2.gz ODQHMJHAWQWHPM-GMTAPVOTSA-N 2 0 227.352 0.603 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)CC2([NH3+])CCC2)CC1 ZINC000638943407 353142026 /nfs/dbraw/zinc/14/20/26/353142026.db2.gz SPRILPUYJXFKFO-XYPYZODXSA-N 2 0 239.363 0.892 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000353154616 188061329 /nfs/dbraw/zinc/06/13/29/188061329.db2.gz SFKDCQUBYPUVCC-DCAQKATOSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357290353 188065639 /nfs/dbraw/zinc/06/56/39/188065639.db2.gz CYHHZVUAWQSTNL-WISYIIOYSA-N 2 0 241.379 0.720 20 0 BCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC000356806191 188066135 /nfs/dbraw/zinc/06/61/35/188066135.db2.gz MNKUVUROOVUGTD-RYUDHWBXSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000368010924 188073101 /nfs/dbraw/zinc/07/31/01/188073101.db2.gz VQCYJYQNIDUWEE-DBIOUOCHSA-N 2 0 225.336 0.323 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000370158363 188074385 /nfs/dbraw/zinc/07/43/85/188074385.db2.gz FMCHKZOETMXOMY-MXWKQRLJSA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000336667216 188083359 /nfs/dbraw/zinc/08/33/59/188083359.db2.gz MDYYLAJTZAZWGQ-UWVGGRQHSA-N 2 0 213.325 0.086 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638967264 353175076 /nfs/dbraw/zinc/17/50/76/353175076.db2.gz LVKLESJCJSVOIV-OPRDCNLKSA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000638969107 353177136 /nfs/dbraw/zinc/17/71/36/353177136.db2.gz PWTBNKRYJQFALQ-OOCWMUITSA-N 2 0 237.347 0.371 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000261581734 535206088 /nfs/dbraw/zinc/20/60/88/535206088.db2.gz NVMXCCLTTKETMI-IVZWLZJFSA-N 2 0 213.325 0.356 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000040924908 188117873 /nfs/dbraw/zinc/11/78/73/188117873.db2.gz YQRJJVJXAYZDDE-JTQLQIEISA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]([NH2+]CCn1ccnc1)[C@H]1CCOC1 ZINC000132118263 188143875 /nfs/dbraw/zinc/14/38/75/188143875.db2.gz CPQJEYDHWHKBRW-MNOVXSKESA-N 2 0 209.293 0.898 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000336731321 188167309 /nfs/dbraw/zinc/16/73/09/188167309.db2.gz FEJCEYJZEIBGME-NXEZZACHSA-N 2 0 215.341 0.459 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000236649700 188148976 /nfs/dbraw/zinc/14/89/76/188148976.db2.gz CJBNMXFCDQRIMV-SRVKXCTJSA-N 2 0 241.379 0.946 20 0 BCADRP CC[C@@]1(C(=O)NC[C@@H]2CCCC[NH2+]2)CCC[NH2+]1 ZINC000134366766 538112004 /nfs/dbraw/zinc/11/20/04/538112004.db2.gz ICLQLPSZBUUXAR-AAEUAGOBSA-N 2 0 239.363 0.777 20 0 BCADRP [NH3+]CC1(NC(=O)[C@H]2C[C@H]([NH3+])C2)CCCCC1 ZINC000638999119 353245831 /nfs/dbraw/zinc/24/58/31/353245831.db2.gz WUCPHXARZJFCHI-MGCOHNPYSA-N 2 0 225.336 0.502 20 0 BCADRP [NH3+]CC1(NC(=O)C2CC[NH2+]CC2)CCCCC1 ZINC000639001783 353249632 /nfs/dbraw/zinc/24/96/32/353249632.db2.gz NRJGTTCJBWIUHE-UHFFFAOYSA-N 2 0 239.363 0.764 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC1(C[NH3+])CCCCC1 ZINC000638996936 353242512 /nfs/dbraw/zinc/24/25/12/353242512.db2.gz RADHJLPRXLXYSQ-MNOVXSKESA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC000422828608 192480958 /nfs/dbraw/zinc/48/09/58/192480958.db2.gz ONNXADMYWWADGR-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000627074372 363211599 /nfs/dbraw/zinc/21/15/99/363211599.db2.gz PWAPJTJJDVEJSR-GARJFASQSA-N 2 0 240.351 0.178 20 0 BCADRP CC(C)[NH+](CCNC(=O)[C@H](C)C[NH3+])C(C)C ZINC000044797470 188216643 /nfs/dbraw/zinc/21/66/43/188216643.db2.gz FEBRJGYGZKHWMV-LLVKDONJSA-N 2 0 229.368 0.816 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000639018405 353274170 /nfs/dbraw/zinc/27/41/70/353274170.db2.gz IGEZGAXVSVEHLH-NWDGAFQWSA-N 2 0 241.379 0.783 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639022267 353277788 /nfs/dbraw/zinc/27/77/88/353277788.db2.gz KHNKCLKBGRHLRZ-MGCOHNPYSA-N 2 0 227.352 0.890 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000639022688 353278406 /nfs/dbraw/zinc/27/84/06/353278406.db2.gz PZZONAWMASKUIG-DDHJBXDOSA-N 2 0 239.363 0.890 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000165282390 353279208 /nfs/dbraw/zinc/27/92/08/353279208.db2.gz VIHKGSMHYNZIMX-HBNTYKKESA-N 2 0 227.352 0.428 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CCC[NH2+]1 ZINC000250080032 353267384 /nfs/dbraw/zinc/26/73/84/353267384.db2.gz OZEXUTHOQGLYSW-NTZNESFSSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000250073314 353267508 /nfs/dbraw/zinc/26/75/08/353267508.db2.gz OGYNKTKQUGMLEH-NTZNESFSSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000250067197 353267545 /nfs/dbraw/zinc/26/75/45/353267545.db2.gz NPEHFRDXZYORBE-GMTAPVOTSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639021901 353280079 /nfs/dbraw/zinc/28/00/79/353280079.db2.gz OIHVYZAFFDUIJS-AXFHLTTASA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639023185 353281973 /nfs/dbraw/zinc/28/19/73/353281973.db2.gz KOCMEXNQNMCPSX-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH3+] ZINC000336768968 353285505 /nfs/dbraw/zinc/28/55/05/353285505.db2.gz VEGOCFMUVUXJOB-DTWKUNHWSA-N 2 0 201.314 0.215 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639026875 353287343 /nfs/dbraw/zinc/28/73/43/353287343.db2.gz HOXCLXAQNOTTIN-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]CC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251729851 353287938 /nfs/dbraw/zinc/28/79/38/353287938.db2.gz KHHJQBVMLQHXFZ-MNOVXSKESA-N 2 0 225.336 0.291 20 0 BCADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)[NH3+] ZINC000251786765 353288131 /nfs/dbraw/zinc/28/81/31/353288131.db2.gz NFMISMLWBUSGDI-ZJUUUORDSA-N 2 0 225.336 0.419 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639027953 353291164 /nfs/dbraw/zinc/29/11/64/353291164.db2.gz UUABUYDDZGNDPU-MNOVXSKESA-N 2 0 225.336 0.326 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639027706 353291191 /nfs/dbraw/zinc/29/11/91/353291191.db2.gz PTGILKWJYLXJND-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639030097 353292003 /nfs/dbraw/zinc/29/20/03/353292003.db2.gz AEBUFZDLOVIOTI-KYZUINATSA-N 2 0 234.303 0.494 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000059930663 188223004 /nfs/dbraw/zinc/22/30/04/188223004.db2.gz ICJBDDOUTDVTCA-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251897011 353293831 /nfs/dbraw/zinc/29/38/31/353293831.db2.gz WBRDFRRXMYBHRU-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252850781 353312404 /nfs/dbraw/zinc/31/24/04/353312404.db2.gz HTQUOXWJHNSQIV-DCAQKATOSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000252151387 353296969 /nfs/dbraw/zinc/29/69/69/353296969.db2.gz OQVMXYUGNLLGJF-VWYCJHECSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)[C@H](C)[NH3+] ZINC000639031344 353299333 /nfs/dbraw/zinc/29/93/33/353299333.db2.gz RGQCVUXESVUJPX-UTINFBMNSA-N 2 0 213.325 0.356 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000252373583 353299906 /nfs/dbraw/zinc/29/99/06/353299906.db2.gz SZHOSNJOPBWCLC-SDDRHHMPSA-N 2 0 237.347 0.481 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)[C@H](C)[NH3+] ZINC000639032274 353301864 /nfs/dbraw/zinc/30/18/64/353301864.db2.gz PUULNWYJTRDROG-FIQHERPVSA-N 2 0 241.379 0.992 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252864634 353312857 /nfs/dbraw/zinc/31/28/57/353312857.db2.gz PIFDNISZUWOLLE-XWLWVQCSSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)[NH+](C)C ZINC000639040360 353316070 /nfs/dbraw/zinc/31/60/70/353316070.db2.gz AOBRPAKHINOGIS-GUBZILKMSA-N 2 0 213.325 0.323 20 0 BCADRP CN1CC[C@@](O)(C[NH2+]CC2CCSCC2)C1 ZINC000639049400 353343234 /nfs/dbraw/zinc/34/32/34/353343234.db2.gz QDVYKBZMAJNVSE-GFCCVEGCSA-N 2 0 244.404 0.786 20 0 BCADRP c1cn(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000085283194 538116168 /nfs/dbraw/zinc/11/61/68/538116168.db2.gz PHXKUNMSBKKKAA-PHIMTYICSA-N 2 0 206.293 0.034 20 0 BCADRP OC1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000085283264 538116245 /nfs/dbraw/zinc/11/62/45/538116245.db2.gz MTTRUJGSUFTGNJ-PHIMTYICSA-N 2 0 210.321 0.443 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CCC[NH2+]C1 ZINC000132022591 353374717 /nfs/dbraw/zinc/37/47/17/353374717.db2.gz XIKPTSLAODTATJ-QWRGUYRKSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)NCC(C)(C)[NH3+])C[NH2+]1 ZINC000627077869 363220183 /nfs/dbraw/zinc/22/01/83/363220183.db2.gz CWRCNBPNPYCFJX-BDAKNGLRSA-N 2 0 228.340 0.163 20 0 BCADRP [NH3+]CC(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639071246 353386752 /nfs/dbraw/zinc/38/67/52/353386752.db2.gz IVBNRBASGYHHPL-SECBINFHSA-N 2 0 219.288 0.424 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000572481626 324122270 /nfs/dbraw/zinc/12/22/70/324122270.db2.gz SLRIQLDIWYCSOC-SCVCMEIPSA-N 2 0 227.352 0.618 20 0 BCADRP CCOCCCN1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000165661766 353429721 /nfs/dbraw/zinc/42/97/21/353429721.db2.gz YSNHJFIZBUFDTF-VXGBXAGGSA-N 2 0 230.352 0.851 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000192122182 353544036 /nfs/dbraw/zinc/54/40/36/353544036.db2.gz PVVVFTPTJWVCBN-TUAOUCFPSA-N 2 0 241.379 0.770 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000192121875 353544350 /nfs/dbraw/zinc/54/43/50/353544350.db2.gz RFFKIWUPCLCCGI-GHMZBOCLSA-N 2 0 229.368 0.818 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)NCC2([NH3+])CCC2)C[NH2+]1 ZINC000627083804 363233458 /nfs/dbraw/zinc/23/34/58/363233458.db2.gz KVJMJYKWYDCHHD-ZJUUUORDSA-N 2 0 240.351 0.308 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000377744546 188434618 /nfs/dbraw/zinc/43/46/18/188434618.db2.gz LUTBUFZZGOCTDC-ZJUUUORDSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193640669 353597060 /nfs/dbraw/zinc/59/70/60/353597060.db2.gz CVDXLALQVIQIDS-GHMZBOCLSA-N 2 0 227.352 0.583 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000062897068 353573523 /nfs/dbraw/zinc/57/35/23/353573523.db2.gz TYLPOTSIXRVRFG-CYBMUJFWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000627090530 363243231 /nfs/dbraw/zinc/24/32/31/363243231.db2.gz WRYJKJVXONUXTO-LMLFDSFASA-N 2 0 240.351 0.034 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000627090546 363243260 /nfs/dbraw/zinc/24/32/60/363243260.db2.gz WZUOTXIBQLHJRU-LMLFDSFASA-N 2 0 240.351 0.177 20 0 BCADRP O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2C[C@@H]1CCC[NH2+]C1 ZINC000232289167 353705882 /nfs/dbraw/zinc/70/58/82/353705882.db2.gz CZIJPQKMXOHNMH-IJLUTSLNSA-N 2 0 237.347 0.196 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000563875255 353725460 /nfs/dbraw/zinc/72/54/60/353725460.db2.gz DIPAIFRBTQJZFN-LLVKDONJSA-N 2 0 242.367 0.426 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000195177143 353730371 /nfs/dbraw/zinc/73/03/71/353730371.db2.gz VTSVXOYJYLPBED-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627098974 363257451 /nfs/dbraw/zinc/25/74/51/363257451.db2.gz ZOGAJPBKWMYLGI-KATARQTJSA-N 2 0 228.340 0.162 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627097548 363258623 /nfs/dbraw/zinc/25/86/23/363258623.db2.gz JRUCSVNRTSJQQG-ZJUUUORDSA-N 2 0 240.351 0.308 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000154020698 191287319 /nfs/dbraw/zinc/28/73/19/191287319.db2.gz XEPXWDWYHNHZFK-MMWGEVLESA-N 2 0 227.352 0.569 20 0 BCADRP C[C@@H]1CN(C(=O)C2(C[NH3+])CCCC2)C[C@H](C)[NH2+]1 ZINC000153438920 363261243 /nfs/dbraw/zinc/26/12/43/363261243.db2.gz XSLWQRZCMCTVCU-PHIMTYICSA-N 2 0 239.363 0.714 20 0 BCADRP CCN(CC[NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000627100313 363260652 /nfs/dbraw/zinc/26/06/52/363260652.db2.gz JUJALXWKADZKEI-NSHDSACASA-N 2 0 242.367 0.509 20 0 BCADRP CCN(CC[NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000627100312 363260671 /nfs/dbraw/zinc/26/06/71/363260671.db2.gz JUJALXWKADZKEI-LLVKDONJSA-N 2 0 242.367 0.509 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)[C@H]1C ZINC000343432621 353884411 /nfs/dbraw/zinc/88/44/11/353884411.db2.gz HHEMNJKRJVMOOC-RHYQMDGZSA-N 2 0 239.363 0.583 20 0 BCADRP CC[N@H+](CC(=O)N[C@H](C)CC[NH+](C)C)C1CC1 ZINC000343440442 353887587 /nfs/dbraw/zinc/88/75/87/353887587.db2.gz FFOYFVNOUQDGKT-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000343442084 353889122 /nfs/dbraw/zinc/88/91/22/353889122.db2.gz RMBWKUFHDRSXQH-GARJFASQSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000627106046 363265413 /nfs/dbraw/zinc/26/54/13/363265413.db2.gz FWCFRZOSSFQZJS-VWYCJHECSA-N 2 0 242.367 0.506 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)CC[NH+]1CCCC1 ZINC000343486133 353906775 /nfs/dbraw/zinc/90/67/75/353906775.db2.gz GJVXDAVLZXHMLE-UHFFFAOYSA-N 2 0 241.379 0.882 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000343615859 353945746 /nfs/dbraw/zinc/94/57/46/353945746.db2.gz GGBHUZDPYZJEPB-PRULPYPASA-N 2 0 239.363 0.842 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000529342093 324276699 /nfs/dbraw/zinc/27/66/99/324276699.db2.gz RECONUVIKZCSRH-MXWKQRLJSA-N 2 0 242.367 0.362 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)C1 ZINC000334551539 353991525 /nfs/dbraw/zinc/99/15/25/353991525.db2.gz JUQWGBUQDSYSOF-QWHCGFSZSA-N 2 0 247.342 0.815 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000577955179 366138367 /nfs/dbraw/zinc/13/83/67/366138367.db2.gz GOZKYMIREOTTEF-BREBYQMCSA-N 2 0 235.331 0.091 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC1CCC(C[NH3+])CC1 ZINC000343644096 353951998 /nfs/dbraw/zinc/95/19/98/353951998.db2.gz QJFZSACOUCTGJX-ILDUYXDCSA-N 2 0 227.352 0.605 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000343650278 353953528 /nfs/dbraw/zinc/95/35/28/353953528.db2.gz XDYMHCZMZWMJNE-GMTAPVOTSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H]1C[NH2+]C[C@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000111263922 188534273 /nfs/dbraw/zinc/53/42/73/188534273.db2.gz QBVGUIGTEPRFEH-NWDGAFQWSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000038042305 358482508 /nfs/dbraw/zinc/48/25/08/358482508.db2.gz LHAWLSLQGXWFNE-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449643510 201995377 /nfs/dbraw/zinc/99/53/77/201995377.db2.gz IDXWYWRFHIYTIJ-WOPDTQHZSA-N 2 0 241.379 0.851 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NC1CC[NH+](CC)CC1 ZINC000038098269 358483929 /nfs/dbraw/zinc/48/39/29/358483929.db2.gz PSVQBWZUMVWJLV-ZYHUDNBSSA-N 2 0 241.379 0.960 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449665115 201997727 /nfs/dbraw/zinc/99/77/27/201997727.db2.gz MMVCXULWRJUWEW-IUCAKERBSA-N 2 0 249.305 0.617 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449681303 201999714 /nfs/dbraw/zinc/99/97/14/201999714.db2.gz IXADHFWZHMBZOR-NWDGAFQWSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449668104 202000095 /nfs/dbraw/zinc/00/00/95/202000095.db2.gz SJYLOSAFWNOZII-IONNQARKSA-N 2 0 247.289 0.240 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449668102 202000157 /nfs/dbraw/zinc/00/01/57/202000157.db2.gz SJYLOSAFWNOZII-CBAPKCEASA-N 2 0 247.289 0.240 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449681305 202001273 /nfs/dbraw/zinc/00/12/73/202001273.db2.gz IXADHFWZHMBZOR-RYUDHWBXSA-N 2 0 241.379 0.866 20 0 BCADRP CN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])C1(C[NH3+])CCC1 ZINC000449689270 202002100 /nfs/dbraw/zinc/00/21/00/202002100.db2.gz YOPYYMMJLCBBMT-WDEREUQCSA-N 2 0 239.363 0.844 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000449706262 202007112 /nfs/dbraw/zinc/00/71/12/202007112.db2.gz MVEYZWXBUMYYEC-GHMZBOCLSA-N 2 0 241.379 0.722 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[NH+](C)C ZINC000449723773 202008003 /nfs/dbraw/zinc/00/80/03/202008003.db2.gz MEJWKWBDAFGUBC-TUAOUCFPSA-N 2 0 241.379 0.816 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000449727466 202009366 /nfs/dbraw/zinc/00/93/66/202009366.db2.gz PZDGABNLPMJJPH-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000449727464 202009490 /nfs/dbraw/zinc/00/94/90/202009490.db2.gz PZDGABNLPMJJPH-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000334581133 354199006 /nfs/dbraw/zinc/19/90/06/354199006.db2.gz LXYXRPLUQMIVPS-IUCAKERBSA-N 2 0 247.289 0.242 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH3+])CC1 ZINC000627134545 363348351 /nfs/dbraw/zinc/34/83/51/363348351.db2.gz BNROKOCNDSKNER-LLVKDONJSA-N 2 0 240.351 0.213 20 0 BCADRP [NH3+][C@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000334588777 354216141 /nfs/dbraw/zinc/21/61/41/354216141.db2.gz XKCRJJJICXLCLX-NEPJUHHUSA-N 2 0 211.353 0.799 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000334615728 354302363 /nfs/dbraw/zinc/30/23/63/354302363.db2.gz NHBASMXIKIDJGK-QWHCGFSZSA-N 3 0 223.364 0.670 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167528171 134003510 /nfs/dbraw/zinc/00/35/10/134003510.db2.gz WXKSXUQFOIJKDD-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000165943811 354358382 /nfs/dbraw/zinc/35/83/82/354358382.db2.gz MLEGKSPFFVTAAA-PWSUYJOCSA-N 2 0 243.326 0.289 20 0 BCADRP [NH3+][C@H](C(=O)NCC[C@H]1CC[NH2+]C1)C1CCC1 ZINC000578011014 366176918 /nfs/dbraw/zinc/17/69/18/366176918.db2.gz LZQMALJYFFRFDD-KOLCDFICSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000578013526 366179549 /nfs/dbraw/zinc/17/95/49/366179549.db2.gz RJWSQKWNLQNJHU-STQMWFEESA-N 2 0 241.379 0.378 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000334640309 354395867 /nfs/dbraw/zinc/39/58/67/354395867.db2.gz IXVDYXTYSDVYKG-JQWIXIFHSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CC1CC[NH2+]CC1 ZINC000334662479 354462804 /nfs/dbraw/zinc/46/28/04/354462804.db2.gz DQDFFUVZTHZQOH-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@]1(F)CNCCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000334663873 354464140 /nfs/dbraw/zinc/46/41/40/354464140.db2.gz YLKHATNZXGQCCE-CMPLNLGQSA-N 2 0 243.326 0.274 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000334698035 354490159 /nfs/dbraw/zinc/49/01/59/354490159.db2.gz IEKLOCLFWSQHRU-VXGBXAGGSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@@H]1CN(C(=O)C2(C[NH3+])CCCC2)CC[C@@H]1[NH3+] ZINC000334708607 354503268 /nfs/dbraw/zinc/50/32/68/354503268.db2.gz NOTXVTWPAFPANN-MNOVXSKESA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@H]1CN(C(=O)C2(C[NH3+])CCCC2)CC[C@H]1[NH3+] ZINC000334708604 354503375 /nfs/dbraw/zinc/50/33/75/354503375.db2.gz NOTXVTWPAFPANN-GHMZBOCLSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000335111623 354697886 /nfs/dbraw/zinc/69/78/86/354697886.db2.gz RUENRNSKFULLEC-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1[C@@H](NC(=O)NCC[NH+](C)C)CCC[N@@H+]1C ZINC000345732456 354746782 /nfs/dbraw/zinc/74/67/82/354746782.db2.gz AYUVPQWPJZYDKX-QWRGUYRKSA-N 2 0 242.367 0.330 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000627158919 363398324 /nfs/dbraw/zinc/39/83/24/363398324.db2.gz IGBWXRCFHBUCJT-OUAUKWLOSA-N 2 0 240.351 0.260 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC([NH3+])CC1 ZINC000627158724 363398466 /nfs/dbraw/zinc/39/84/66/363398466.db2.gz CGKZYCVZZBHMEE-WDEREUQCSA-N 2 0 240.351 0.260 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000627158642 363398574 /nfs/dbraw/zinc/39/85/74/363398574.db2.gz ADSGFIXXFWUCSF-GARJFASQSA-N 2 0 240.351 0.130 20 0 BCADRP COC[C@](C)(O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000639217196 354867392 /nfs/dbraw/zinc/86/73/92/354867392.db2.gz QVDQJTDIUHZZCX-YNEHKIRRSA-N 2 0 244.379 0.846 20 0 BCADRP CCN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000335953735 134022300 /nfs/dbraw/zinc/02/23/00/134022300.db2.gz HHBHLTSUKMZUQN-NWDGAFQWSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]1OCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000235601457 363448428 /nfs/dbraw/zinc/44/84/28/363448428.db2.gz HNPSSGQPSFLWLY-GHMZBOCLSA-N 2 0 216.325 0.332 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000335204818 355039630 /nfs/dbraw/zinc/03/96/30/355039630.db2.gz ZIPAMNNHICXCDR-WCQYABFASA-N 2 0 247.342 0.884 20 0 BCADRP C[C@@H](NC(=O)C1(C)C[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000335219562 355059775 /nfs/dbraw/zinc/05/97/75/355059775.db2.gz PTUFAPWOSSKCDS-ZJUUUORDSA-N 2 0 225.336 0.100 20 0 BCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCC[NH+]1C ZINC000335220974 355061056 /nfs/dbraw/zinc/06/10/56/355061056.db2.gz YGOSXLROQKTOOX-NWDGAFQWSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[NH2+]C(C)(C)C1)[C@@H](C)[NH3+] ZINC000335231298 355091804 /nfs/dbraw/zinc/09/18/04/355091804.db2.gz JBPAPPIPYILXPV-MNOVXSKESA-N 2 0 241.379 0.816 20 0 BCADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CC[NH2+]2)c1 ZINC000335234086 355094517 /nfs/dbraw/zinc/09/45/17/355094517.db2.gz GKEJVGRJFZTXGE-LLVKDONJSA-N 2 0 219.288 0.754 20 0 BCADRP OCCN(Cc1cccnc1)C[C@H]1CCC[NH2+]C1 ZINC000346840966 355133516 /nfs/dbraw/zinc/13/35/16/355133516.db2.gz GQQGESIBUNZJMM-AWEZNQCLSA-N 2 0 249.358 0.876 20 0 BCADRP COCC[N@@H+]1CCN(CC(C)(C)[NH3+])C[C@H]1C ZINC000346845269 355135354 /nfs/dbraw/zinc/13/53/54/355135354.db2.gz MOKDNVQRMGKIMJ-LLVKDONJSA-N 2 0 229.368 0.376 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000366963722 355157206 /nfs/dbraw/zinc/15/72/06/355157206.db2.gz RALGJZGJDOGSQX-QWRGUYRKSA-N 2 0 245.342 0.487 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000366964948 355181227 /nfs/dbraw/zinc/18/12/27/355181227.db2.gz YQRWGXQSRXSRKH-RCWTZXSCSA-N 2 0 243.326 0.272 20 0 BCADRP CN(C)C(=O)NCC[N@H+](C)CC1CC[NH2+]CC1 ZINC000347003358 355200794 /nfs/dbraw/zinc/20/07/94/355200794.db2.gz LATCXWMXUAJDAL-UHFFFAOYSA-N 2 0 242.367 0.189 20 0 BCADRP CCC[C@@H]1C(=O)NCC[N@H+]1CC1CC[NH2+]CC1 ZINC000347008728 355202893 /nfs/dbraw/zinc/20/28/93/355202893.db2.gz SAXZWSLMMMLZBT-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000347633954 355242660 /nfs/dbraw/zinc/24/26/60/355242660.db2.gz UCMSQNKMLUDLKM-YTWAJWBKSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000347685310 355269302 /nfs/dbraw/zinc/26/93/02/355269302.db2.gz LCBCJRUMEVTCLL-OPRDCNLKSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC(=O)N2)CC[N@@H+]1C ZINC000639245673 355255155 /nfs/dbraw/zinc/25/51/55/355255155.db2.gz ZTHQQCKPLMKAFU-MDZLAQPJSA-N 2 0 239.363 0.727 20 0 BCADRP C(C[NH+]1CCN(C2CC2)CC1)[C@H]1CC[NH2+]C1 ZINC000084385222 355360788 /nfs/dbraw/zinc/36/07/88/355360788.db2.gz WLCDPDZNURGOMQ-GFCCVEGCSA-N 2 0 223.364 0.766 20 0 BCADRP CCC[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[NH+](C)C ZINC000422843121 192486839 /nfs/dbraw/zinc/48/68/39/192486839.db2.gz HCNMOAPVLULSNA-IJLUTSLNSA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCCOCC[NH+](C)C ZINC000349726505 355420130 /nfs/dbraw/zinc/42/01/30/355420130.db2.gz AOPFREVSNADDJE-UHFFFAOYSA-N 2 0 245.367 0.021 20 0 BCADRP COC[C@](C)(CCO)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414714816 191553913 /nfs/dbraw/zinc/55/39/13/191553913.db2.gz VWDDKDHSJRMNGQ-AGIUHOORSA-N 2 0 244.379 0.752 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CCO[C@H](C[NH3+])C1 ZINC000414719598 191556517 /nfs/dbraw/zinc/55/65/17/191556517.db2.gz YZEXWTUUIREMOP-WDEREUQCSA-N 2 0 215.341 0.019 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH3+])C[C@@H]1C ZINC000335840526 355583769 /nfs/dbraw/zinc/58/37/69/355583769.db2.gz NOUYRNHHXIAQIU-UWVGGRQHSA-N 2 0 213.325 0.276 20 0 BCADRP CN(C(=O)[C@@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000335852306 355596378 /nfs/dbraw/zinc/59/63/78/355596378.db2.gz VCJWZWHCAFHDPZ-PWSUYJOCSA-N 2 0 237.347 0.291 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000335857136 355602359 /nfs/dbraw/zinc/60/23/59/355602359.db2.gz JHSADGBQBPAINS-VHSXEESVSA-N 2 0 225.336 0.228 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)NCC[C@H]1CCC[NH2+]1 ZINC000583563490 355613545 /nfs/dbraw/zinc/61/35/45/355613545.db2.gz AGXTXMWIOSKFOR-MNOVXSKESA-N 2 0 225.336 0.387 20 0 BCADRP COC(=O)C(C)(C)CC[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415040508 191659961 /nfs/dbraw/zinc/65/99/61/191659961.db2.gz QCSCPFVKHARZSG-MYJAWHEDSA-N 2 0 226.320 0.383 20 0 BCADRP [NH3+]CC1(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CCCC1 ZINC000335839346 355569086 /nfs/dbraw/zinc/56/90/86/355569086.db2.gz MFJFQCJFTCFEAY-JQWIXIFHSA-N 2 0 237.347 0.374 20 0 BCADRP CC[NH2+]CCNC(=O)N(C)CCC[NH+](C)C ZINC000583554506 355579740 /nfs/dbraw/zinc/57/97/40/355579740.db2.gz GSGIJXFIJYDOLK-UHFFFAOYSA-N 2 0 230.356 0.189 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000582180805 355643833 /nfs/dbraw/zinc/64/38/33/355643833.db2.gz RACKTQMJKDEIEB-XLPZGREQSA-N 2 0 235.278 0.083 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000582180804 355643898 /nfs/dbraw/zinc/64/38/98/355643898.db2.gz RACKTQMJKDEIEB-RNJXMRFFSA-N 2 0 235.278 0.083 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000582182007 355645944 /nfs/dbraw/zinc/64/59/44/355645944.db2.gz JGRCKRNLQPRWDF-LBPRGKRZSA-N 2 0 247.342 0.622 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN1CC[NH+](CC(C)C)CC1 ZINC000582186011 355660523 /nfs/dbraw/zinc/66/05/23/355660523.db2.gz JOOZWIYTHSWNCG-CYBMUJFWSA-N 2 0 243.395 0.230 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000417886840 355631985 /nfs/dbraw/zinc/63/19/85/355631985.db2.gz ZGUDSWHAQZDEOW-YWVKMMECSA-N 2 0 240.351 0.116 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417002708 191773555 /nfs/dbraw/zinc/77/35/55/191773555.db2.gz GJSRKYIRJNKVHZ-VWYCJHECSA-N 2 0 244.383 0.752 20 0 BCADRP CCC[N@@H+]1CCCN(C(=O)CCC[NH3+])CC1 ZINC000166588124 355710187 /nfs/dbraw/zinc/71/01/87/355710187.db2.gz LZQSEMVQSGOUCS-UHFFFAOYSA-N 2 0 227.352 0.670 20 0 BCADRP CC[NH+](CC)CCNC(=O)NCCCC[NH3+] ZINC000416806238 191763010 /nfs/dbraw/zinc/76/30/10/191763010.db2.gz ZCJZYKGWQUSXEI-UHFFFAOYSA-N 2 0 230.356 0.366 20 0 BCADRP CC(C)NC(=O)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335890457 355683390 /nfs/dbraw/zinc/68/33/90/355683390.db2.gz OMFUHFGBLNHLEO-CYBMUJFWSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc(C[NH3+])o1 ZINC000335894489 355688179 /nfs/dbraw/zinc/68/81/79/355688179.db2.gz JORDCQOUHKRTRC-DTWKUNHWSA-N 2 0 237.303 0.561 20 0 BCADRP C[C@H](O)C1([NH2+][C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000639329213 355742319 /nfs/dbraw/zinc/74/23/19/355742319.db2.gz VSYMSKNIDSWPMF-OUAUKWLOSA-N 2 0 212.337 0.972 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000417449379 191845159 /nfs/dbraw/zinc/84/51/59/191845159.db2.gz XTLQNPATOMPZLK-WDEREUQCSA-N 2 0 244.383 0.753 20 0 BCADRP [NH3+][C@H](C(=O)NCCC[NH+]1CCCC1)C1CCC1 ZINC000399089747 355836966 /nfs/dbraw/zinc/83/69/66/355836966.db2.gz WAJFXNQILKDISR-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]([NH3+])C1CCC1 ZINC000399089195 355836977 /nfs/dbraw/zinc/83/69/77/355836977.db2.gz SNUUCNKEJQXFNK-ZYHUDNBSSA-N 2 0 241.379 0.960 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000166814272 355851260 /nfs/dbraw/zinc/85/12/60/355851260.db2.gz ZQEHKRIHNVRDCK-TUAOUCFPSA-N 2 0 230.352 0.456 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)CC[NH3+])C[C@@H]1C[NH3+] ZINC000583632271 355942011 /nfs/dbraw/zinc/94/20/11/355942011.db2.gz TZQNYWFXALKEKD-UTLUCORTSA-N 2 0 213.325 0.167 20 0 BCADRP COC[C@@H](C)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000389249301 355936238 /nfs/dbraw/zinc/93/62/38/355936238.db2.gz BWHBJEDPUXKZEM-QWRGUYRKSA-N 2 0 200.326 0.940 20 0 BCADRP C[N@@H+]1CC[C@H]([NH+](CCO)CCO)CC1(C)C ZINC000628370599 355883214 /nfs/dbraw/zinc/88/32/14/355883214.db2.gz MQRVWEIAYHBHGJ-NSHDSACASA-N 2 0 230.352 0.146 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)N[C@@H](C)C[NH3+] ZINC000417607868 191905595 /nfs/dbraw/zinc/90/55/95/191905595.db2.gz HNAMKRFZTHGRQN-JTQLQIEISA-N 2 0 230.356 0.365 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCCC[NH+](C)C)C1 ZINC000167378836 355986765 /nfs/dbraw/zinc/98/67/65/355986765.db2.gz QSQIIHPWWANTLC-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000167399928 355988030 /nfs/dbraw/zinc/98/80/30/355988030.db2.gz XYNALZIXCXKFBT-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@H]2CCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000417837295 191933647 /nfs/dbraw/zinc/93/36/47/191933647.db2.gz MDBITOVOIIZNDV-OUAUKWLOSA-N 2 0 225.336 0.182 20 0 BCADRP CN(CC[NH3+])C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000417835103 191934121 /nfs/dbraw/zinc/93/41/21/191934121.db2.gz KKMGHNHYIUAHPX-LBPRGKRZSA-N 2 0 221.304 0.278 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000417839203 191934786 /nfs/dbraw/zinc/93/47/86/191934786.db2.gz NLVDHKJLFHEDLJ-KOLCDFICSA-N 2 0 227.352 0.570 20 0 BCADRP CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H](C[NH3+])C1CC1 ZINC000417841834 191935368 /nfs/dbraw/zinc/93/53/68/191935368.db2.gz PFRMIYWUUKKVDT-IJLUTSLNSA-N 2 0 239.363 0.557 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417847664 191936985 /nfs/dbraw/zinc/93/69/85/191936985.db2.gz ZKUURDDEFVZLGI-WCBMZHEXSA-N 2 0 213.325 0.215 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000417848602 191937640 /nfs/dbraw/zinc/93/76/40/191937640.db2.gz VQJXOUWRHLUANE-MDZLAQPJSA-N 2 0 239.363 0.429 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000167197981 355968872 /nfs/dbraw/zinc/96/88/72/355968872.db2.gz PTMDGJNBUHZJNS-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000418058279 191959188 /nfs/dbraw/zinc/95/91/88/191959188.db2.gz KQWSWXYIKALLTE-ZJUUUORDSA-N 2 0 242.367 0.506 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000584350436 356064095 /nfs/dbraw/zinc/06/40/95/356064095.db2.gz JRVJLRVXAUSORY-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000617551742 356107986 /nfs/dbraw/zinc/10/79/86/356107986.db2.gz YHDRZQGIYSGOQP-VXGBXAGGSA-N 2 0 239.363 0.491 20 0 BCADRP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000617553724 356110863 /nfs/dbraw/zinc/11/08/63/356110863.db2.gz OVURQJOWIWPDPV-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)[NH+](C)C ZINC000351746862 356078924 /nfs/dbraw/zinc/07/89/24/356078924.db2.gz HWMLFGWYIYLFQT-GRYCIOLGSA-N 2 0 241.379 0.768 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351771643 356083135 /nfs/dbraw/zinc/08/31/35/356083135.db2.gz VTKWCRZHPKLIGK-MXWKQRLJSA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351864947 356101033 /nfs/dbraw/zinc/10/10/33/356101033.db2.gz ZYPVSAMYOADBNI-QJPTWQEYSA-N 2 0 241.379 0.911 20 0 BCADRP Cn1cc(CC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cn1 ZINC000335918415 356164120 /nfs/dbraw/zinc/16/41/20/356164120.db2.gz MFVCZWGZEJGHJL-CQSZACIVSA-N 2 0 248.374 0.990 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NC1CC[NH2+]CC1 ZINC000418312270 192021963 /nfs/dbraw/zinc/02/19/63/192021963.db2.gz SQBNATCABADTLT-LLVKDONJSA-N 2 0 242.367 0.555 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NCCC[NH3+] ZINC000418311575 192022264 /nfs/dbraw/zinc/02/22/64/192022264.db2.gz MKZWEEJNIYUTAW-SECBINFHSA-N 2 0 216.329 0.152 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418312769 192022310 /nfs/dbraw/zinc/02/23/10/192022310.db2.gz HNJBSSDGUJBODX-WDEREUQCSA-N 2 0 242.367 0.269 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418310902 192022420 /nfs/dbraw/zinc/02/24/20/192022420.db2.gz QBIOYGAALXEKLY-SNVBAGLBSA-N 2 0 230.356 0.269 20 0 BCADRP [NH3+]CCCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418315314 192022738 /nfs/dbraw/zinc/02/27/38/192022738.db2.gz UVDWLJVVBUWDPN-NXEZZACHSA-N 2 0 228.340 0.152 20 0 BCADRP [NH3+]CCCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418317077 192023626 /nfs/dbraw/zinc/02/36/26/192023626.db2.gz YAJCHIGSIVLJFO-SNVBAGLBSA-N 2 0 228.340 0.152 20 0 BCADRP [NH3+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC000422862223 192490758 /nfs/dbraw/zinc/49/07/58/192490758.db2.gz PKBBNTQTBSDZGD-NSHDSACASA-N 2 0 237.347 0.468 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000332122184 356208761 /nfs/dbraw/zinc/20/87/61/356208761.db2.gz HUVQVUVSSIOBON-MNOVXSKESA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333150715 356263374 /nfs/dbraw/zinc/26/33/74/356263374.db2.gz FDVCOXPKTZBACC-MNOVXSKESA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420319876 192195070 /nfs/dbraw/zinc/19/50/70/192195070.db2.gz ASFDWZPPZMKQSD-STQMWFEESA-N 3 0 241.379 0.283 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000336115276 134088244 /nfs/dbraw/zinc/08/82/44/134088244.db2.gz FWZGJFSSDMZJJI-LLVKDONJSA-N 2 0 239.363 0.703 20 0 BCADRP COc1ccc([C@H](C[NH3+])CN2CC[C@H]([NH3+])C2)cc1 ZINC000420300874 192207403 /nfs/dbraw/zinc/20/74/03/192207403.db2.gz VLBSMCYOPSJSEI-OLZOCXBDSA-N 2 0 249.358 0.771 20 0 BCADRP CCN(C)C(=O)CC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000420282597 192199774 /nfs/dbraw/zinc/19/97/74/192199774.db2.gz BRWBCDYELOFGBK-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000617751761 356310889 /nfs/dbraw/zinc/31/08/89/356310889.db2.gz CGUYRWAGFRYXND-LLVKDONJSA-N 2 0 229.368 0.785 20 0 BCADRP C[C@H](CCNC(=O)C[NH+](C)C)[NH+](C)C ZINC000617752151 356311428 /nfs/dbraw/zinc/31/14/28/356311428.db2.gz KPOLUHCDBOLPCN-SECBINFHSA-N 2 0 201.314 0.004 20 0 BCADRP COC(=O)CC1(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000420318409 192214932 /nfs/dbraw/zinc/21/49/32/192214932.db2.gz OALOFQIJEYQSDE-GHMZBOCLSA-N 2 0 240.347 0.999 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000420311835 192210286 /nfs/dbraw/zinc/21/02/86/192210286.db2.gz IBDDTGRHPXMRQY-GFCCVEGCSA-N 2 0 228.336 0.999 20 0 BCADRP COC(=O)CC1(C[NH2+]CC2([NH3+])CCC2)CC1 ZINC000420311715 192211128 /nfs/dbraw/zinc/21/11/28/192211128.db2.gz RHXVLOAIWYNSAO-UHFFFAOYSA-N 2 0 226.320 0.801 20 0 BCADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)CCn1cccn1 ZINC000420313435 192212692 /nfs/dbraw/zinc/21/26/92/192212692.db2.gz JBNZTGBCKKBVGL-LBPRGKRZSA-N 2 0 222.336 0.815 20 0 BCADRP CC(C)C(=O)NCC[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420367579 192225999 /nfs/dbraw/zinc/22/59/99/192225999.db2.gz HBYVDNZZBWSKJT-LBPRGKRZSA-N 2 0 241.379 0.690 20 0 BCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420321699 192228165 /nfs/dbraw/zinc/22/81/65/192228165.db2.gz RKLHCFYLRXMXFM-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420321695 192228514 /nfs/dbraw/zinc/22/85/14/192228514.db2.gz RKLHCFYLRXMXFM-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP CCOC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420325058 192228906 /nfs/dbraw/zinc/22/89/06/192228906.db2.gz HXUVZGAEEHEZBF-NWDGAFQWSA-N 2 0 240.347 0.871 20 0 BCADRP CCOC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420325062 192229531 /nfs/dbraw/zinc/22/95/31/192229531.db2.gz HXUVZGAEEHEZBF-VXGBXAGGSA-N 2 0 240.347 0.871 20 0 BCADRP CCOC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420325060 192229615 /nfs/dbraw/zinc/22/96/15/192229615.db2.gz HXUVZGAEEHEZBF-RYUDHWBXSA-N 2 0 240.347 0.871 20 0 BCADRP CCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329521 192230531 /nfs/dbraw/zinc/23/05/31/192230531.db2.gz OMOGCSYQJDKUAY-RYUDHWBXSA-N 2 0 239.363 0.444 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000564721989 491090787 /nfs/dbraw/zinc/09/07/87/491090787.db2.gz KZLKVNOBONGTIR-SNVBAGLBSA-N 2 0 239.363 0.620 20 0 BCADRP C[NH2+]CCC[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420393669 192236510 /nfs/dbraw/zinc/23/65/10/192236510.db2.gz YLZIUTPSGAYIHV-LBPRGKRZSA-N 2 0 213.369 0.917 20 0 BCADRP C[NH2+]CCCN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000420397188 192237127 /nfs/dbraw/zinc/23/71/27/192237127.db2.gz FDFGKKKNANKMCL-LBPRGKRZSA-N 2 0 219.332 0.986 20 0 BCADRP C[NH2+]CCCN(C)CCN1CCO[C@H](C)C1 ZINC000420396844 192237440 /nfs/dbraw/zinc/23/74/40/192237440.db2.gz WIVNQVXCTFNIDX-GFCCVEGCSA-N 2 0 229.368 0.248 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000420374882 192231777 /nfs/dbraw/zinc/23/17/77/192231777.db2.gz OCGUMXOCLZWUFM-IJLUTSLNSA-N 3 0 211.353 0.655 20 0 BCADRP CC(C)(C)[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C(N)=O ZINC000420375040 192232084 /nfs/dbraw/zinc/23/20/84/192232084.db2.gz OSUBFMOPOHNRBF-QWRGUYRKSA-N 2 0 241.379 0.866 20 0 BCADRP COC[C@H]1CCCC[N@H+](CCOCC[NH3+])C1 ZINC000420376355 192232117 /nfs/dbraw/zinc/23/21/17/192232117.db2.gz QNWJPQHRTZNDKK-LBPRGKRZSA-N 2 0 230.352 0.710 20 0 BCADRP COC[C@@H]1CCCC[N@H+](CCOCC[NH3+])C1 ZINC000420376354 192232233 /nfs/dbraw/zinc/23/22/33/192232233.db2.gz QNWJPQHRTZNDKK-GFCCVEGCSA-N 2 0 230.352 0.710 20 0 BCADRP CC[C@H]1C[N@H+](CCc2cncn2C)C[C@@H]1O ZINC000639554574 356456835 /nfs/dbraw/zinc/45/68/35/356456835.db2.gz LIWKAELTFPHAHU-JQWIXIFHSA-N 2 0 223.320 0.665 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CCCC[NH3+] ZINC000578121738 366278104 /nfs/dbraw/zinc/27/81/04/366278104.db2.gz KAXVSHDMLVWSFA-LBPRGKRZSA-N 2 0 229.368 0.995 20 0 BCADRP CCO[C@@H]1C[N@H+](CC(C)C)C[C@H]1C[NH3+] ZINC000405589563 491095784 /nfs/dbraw/zinc/09/57/84/491095784.db2.gz MIZBONIMKZQEKH-GHMZBOCLSA-N 2 0 200.326 0.938 20 0 BCADRP CN(C(=O)CCC1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000179769112 366301370 /nfs/dbraw/zinc/30/13/70/366301370.db2.gz KGVQRLXXNZNHOA-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](C[NH3+])C2)C[NH2+]1 ZINC000627205690 363501776 /nfs/dbraw/zinc/50/17/76/363501776.db2.gz CRDIPIUZRYSWEJ-MXWKQRLJSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)NC(C)(C)C[NH3+])C[NH2+]1 ZINC000627205449 363502297 /nfs/dbraw/zinc/50/22/97/363502297.db2.gz AANLPEWYSMHUII-DTWKUNHWSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC000627207757 363503309 /nfs/dbraw/zinc/50/33/09/363503309.db2.gz TVFRCTVDVYIPDG-HBNTYKKESA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)N2CC[NH2+][C@H](C)C2)C[NH2+]1 ZINC000627207758 363503617 /nfs/dbraw/zinc/50/36/17/363503617.db2.gz TVFRCTVDVYIPDG-MXWKQRLJSA-N 2 0 240.351 0.130 20 0 BCADRP CC[C@@H](NC[C@@H](O)C[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422980251 192516631 /nfs/dbraw/zinc/51/66/31/192516631.db2.gz OZBUHILMJAJWNB-UTUOFQBUSA-N 2 0 229.368 0.029 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)N(C)C2CC([NH3+])C2)C[NH2+]1 ZINC000627209514 363505154 /nfs/dbraw/zinc/50/51/54/363505154.db2.gz GAUYNDAMOZFDRN-XEAZBWPWSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])C[NH2+]1 ZINC000627210185 363505366 /nfs/dbraw/zinc/50/53/66/363505366.db2.gz NHSJOEDGRWNITO-VHSXEESVSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)N2CCC([NH3+])CC2)C[NH2+]1 ZINC000627207945 363505458 /nfs/dbraw/zinc/50/54/58/363505458.db2.gz UVVCZTAXYZBMGM-MWLCHTKSSA-N 2 0 240.351 0.260 20 0 BCADRP CC(C)N1C[C@@H]([NH2+][C@H](C)CCC[NH3+])CC1=O ZINC000422927038 192508771 /nfs/dbraw/zinc/50/87/71/192508771.db2.gz YALZDMDJIMBQCV-MNOVXSKESA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CCn2cncc2C1)[NH+](C)C ZINC000623307395 356610696 /nfs/dbraw/zinc/61/06/96/356610696.db2.gz FZIJKPLWQYZDPE-UWVGGRQHSA-N 2 0 236.319 0.264 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627210478 363506235 /nfs/dbraw/zinc/50/62/35/363506235.db2.gz QNDZMQGITXLGLZ-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP [NH3+]C[C@H]1Cc2ccccc2N(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000632868650 356641297 /nfs/dbraw/zinc/64/12/97/356641297.db2.gz UAVZLVVSVOAYDL-ZYHUDNBSSA-N 2 0 245.326 0.513 20 0 BCADRP CN(C)C(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757419 356664001 /nfs/dbraw/zinc/66/40/01/356664001.db2.gz JBGMMRWYTHOHPL-UHFFFAOYSA-N 2 0 239.363 0.492 20 0 BCADRP Cc1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])n(C)n1 ZINC000423113812 192572378 /nfs/dbraw/zinc/57/23/78/192572378.db2.gz ZGNSAPVATINXES-JQWIXIFHSA-N 2 0 222.336 0.946 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632874078 356659219 /nfs/dbraw/zinc/65/92/19/356659219.db2.gz DDTIRRCAGVRGBS-FIQHERPVSA-N 2 0 239.363 0.570 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000627226539 363555498 /nfs/dbraw/zinc/55/54/98/363555498.db2.gz NCHFJLYKVQCHFM-QWRGUYRKSA-N 2 0 240.351 0.071 20 0 BCADRP C[NH+](C)C[C@]1(O)CCCN(Cc2cccnc2)C1 ZINC000639761005 356676135 /nfs/dbraw/zinc/67/61/35/356676135.db2.gz DPEXRJICMJJTHH-CQSZACIVSA-N 2 0 249.358 0.970 20 0 BCADRP CCCCNC(=O)CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000167759284 134153760 /nfs/dbraw/zinc/15/37/60/134153760.db2.gz JLRNASZCEPXMEN-VXGBXAGGSA-N 2 0 241.379 0.819 20 0 BCADRP C[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000632881190 356665842 /nfs/dbraw/zinc/66/58/42/356665842.db2.gz ZAKMZEVQADUWKE-VHSXEESVSA-N 2 0 233.315 0.498 20 0 BCADRP C[C@H](O)CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764020 356690382 /nfs/dbraw/zinc/69/03/82/356690382.db2.gz SEDUNWUFCVMQAY-RYUDHWBXSA-N 2 0 230.352 0.146 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+](C)C(C)C ZINC000353456653 134163948 /nfs/dbraw/zinc/16/39/48/134163948.db2.gz DNSHDMZAMAKKMA-NWDGAFQWSA-N 2 0 241.379 0.831 20 0 BCADRP c1cnn(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000088430177 356707733 /nfs/dbraw/zinc/70/77/33/356707733.db2.gz DEJYBIOHEJPSQJ-QWRGUYRKSA-N 2 0 206.293 0.034 20 0 BCADRP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)C1([NH3+])CC1 ZINC000353760694 356718157 /nfs/dbraw/zinc/71/81/57/356718157.db2.gz RPXHWUWQQRGLCF-NSHDSACASA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+][C@@H](C)Cc1noc(CC[C@@H]2CC[NH2+]C2)n1 ZINC000578192032 366366798 /nfs/dbraw/zinc/36/67/98/366366798.db2.gz YKRWIPLSNZQWLT-VHSXEESVSA-N 2 0 238.335 0.762 20 0 BCADRP CC[N@@H+]1C[C@@H](C)N(CCOCC[NH3+])C[C@H]1C ZINC000578193721 366377653 /nfs/dbraw/zinc/37/76/53/366377653.db2.gz KRWWQJQZISOVAA-VXGBXAGGSA-N 2 0 229.368 0.376 20 0 BCADRP C[NH2+][C@H](C)Cc1noc(CC[C@@H]2CC[NH2+]C2)n1 ZINC000578192030 366378031 /nfs/dbraw/zinc/37/80/31/366378031.db2.gz YKRWIPLSNZQWLT-NXEZZACHSA-N 2 0 238.335 0.762 20 0 BCADRP C[C@H]1CC[C@H]([NH2+]CCN2CC[C@@H](O)C2)C1 ZINC000623759009 356821181 /nfs/dbraw/zinc/82/11/81/356821181.db2.gz WLHFDNKVLFMRQZ-SDDRHHMPSA-N 2 0 212.337 0.831 20 0 BCADRP CN(C)C(=O)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623387798 356919276 /nfs/dbraw/zinc/91/92/76/356919276.db2.gz WEOOTRKXDUXWLC-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)[C@@H]1C[C@H]1C ZINC000423199754 192624151 /nfs/dbraw/zinc/62/41/51/192624151.db2.gz CMKJBOMYYXUYLS-IJLUTSLNSA-N 2 0 211.353 0.526 20 0 BCADRP C(CN1CC[NH2+]CC1)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000423210459 192628504 /nfs/dbraw/zinc/62/85/04/192628504.db2.gz WROGRXGKKZBOTJ-STQMWFEESA-N 2 0 223.364 0.670 20 0 BCADRP C[NH2+]C1CCN(C(=O)CC[NH2+]C(C)C)CC1 ZINC000582359183 357103455 /nfs/dbraw/zinc/10/34/55/357103455.db2.gz VSLUFKDUEPSMPZ-UHFFFAOYSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H]([NH3+])c1ccc(NC(=O)CC[NH3+])cc1 ZINC000390604595 357111761 /nfs/dbraw/zinc/11/17/61/357111761.db2.gz CFITXDSBWIVFGO-QMMMGPOBSA-N 2 0 207.277 0.994 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)CCC[NH3+] ZINC000389914101 357066637 /nfs/dbraw/zinc/06/66/37/357066637.db2.gz LVCYSUNLZFFCPO-VIFPVBQESA-N 2 0 201.314 0.215 20 0 BCADRP CN(C)C(=O)CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000390407006 357097759 /nfs/dbraw/zinc/09/77/59/357097759.db2.gz VJQPYYAWIWLIMN-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP CN(C)C(=O)CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000390407004 357097833 /nfs/dbraw/zinc/09/78/33/357097833.db2.gz VJQPYYAWIWLIMN-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]1CC[N@H+](CCNC2=[NH+]CCCN2)C1 ZINC000582431320 357147405 /nfs/dbraw/zinc/14/74/05/357147405.db2.gz AAPSTPIETPOSGU-JTQLQIEISA-N 2 0 210.325 0.267 20 0 BCADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423248758 192652044 /nfs/dbraw/zinc/65/20/44/192652044.db2.gz NSOBSFVEBKUXGH-QJPTWQEYSA-N 3 0 211.353 0.716 20 0 BCADRP CC[NH2+]CCCNC(=O)CC[NH2+]C(C)C ZINC000390817434 357117262 /nfs/dbraw/zinc/11/72/62/357117262.db2.gz OGUHEQCEHSNXOE-UHFFFAOYSA-N 2 0 215.341 0.490 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH2+][C@@H]1C)C(C)C ZINC000583690072 357120856 /nfs/dbraw/zinc/12/08/56/357120856.db2.gz CCILBFTZRXJUSY-NEPJUHHUSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000583694984 357193661 /nfs/dbraw/zinc/19/36/61/357193661.db2.gz UHHRGCMUBDROFV-CYBMUJFWSA-N 2 0 247.342 0.904 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC(=O)NCC(F)F)C1 ZINC000393687999 357292421 /nfs/dbraw/zinc/29/24/21/357292421.db2.gz IHVWGSZCXQLHAM-HTQZYQBOSA-N 2 0 235.278 0.227 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193566221 357261531 /nfs/dbraw/zinc/26/15/31/357261531.db2.gz IUGVXTLMVKZRLZ-BBBLOLIVSA-N 2 0 213.325 0.226 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)CC[NH2+]C1CC1 ZINC000582497792 357328042 /nfs/dbraw/zinc/32/80/42/357328042.db2.gz ZPDPOFYTDLDKCL-UHFFFAOYSA-N 2 0 227.352 0.762 20 0 BCADRP C[C@@H](CC(=O)N1CCN(C)CC1)n1ccnc1 ZINC000582608147 357350163 /nfs/dbraw/zinc/35/01/63/357350163.db2.gz CAQPHWHFKGYIHA-NSHDSACASA-N 2 0 236.319 0.608 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000582617386 357354108 /nfs/dbraw/zinc/35/41/08/357354108.db2.gz VGLPPFYZNIJRJG-ONGXEEELSA-N 2 0 225.336 0.289 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H](CC[NH3+])C(F)F ZINC000582964050 357440697 /nfs/dbraw/zinc/44/06/97/357440697.db2.gz SOFOQVHCDOGRKV-SSDOTTSWSA-N 2 0 223.267 0.085 20 0 BCADRP C[NH+](C)C[C@@H](O)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623408517 357405690 /nfs/dbraw/zinc/40/56/90/357405690.db2.gz YVTXJHWIHXAAGY-RYUDHWBXSA-N 2 0 243.395 0.371 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)C[NH2+]C1CC1 ZINC000582840107 357412742 /nfs/dbraw/zinc/41/27/42/357412742.db2.gz FNQSFSSTASCRIL-JTQLQIEISA-N 2 0 225.336 0.243 20 0 BCADRP CC(C)([NH3+])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000582903534 357427211 /nfs/dbraw/zinc/42/72/11/357427211.db2.gz GKPKHTNXMJQWHQ-UHFFFAOYSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000582965578 357446309 /nfs/dbraw/zinc/44/63/09/357446309.db2.gz SRLHJDFSPAJKBR-MFKMUULPSA-N 2 0 247.342 0.760 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3)C[C@@H]21 ZINC000583031063 357463056 /nfs/dbraw/zinc/46/30/56/357463056.db2.gz WTSZWYAPILIOSR-MNOVXSKESA-N 2 0 234.303 0.046 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NC(C)(C)CC[NH3+] ZINC000583079369 357473739 /nfs/dbraw/zinc/47/37/39/357473739.db2.gz QYTRSQPBLYCZIO-JGVFFNPUSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000583082689 357474134 /nfs/dbraw/zinc/47/41/34/357474134.db2.gz PFJPGUGYRSINFQ-JQWIXIFHSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)co1 ZINC000583084006 357474682 /nfs/dbraw/zinc/47/46/82/357474682.db2.gz QSCHDECQLJYQSB-PSASIEDQSA-N 2 0 237.303 0.596 20 0 BCADRP CC[C@@H](C)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178408 357552648 /nfs/dbraw/zinc/55/26/48/357552648.db2.gz RUDVGMSMCUJOQG-NEPJUHHUSA-N 2 0 241.379 0.819 20 0 BCADRP CCCCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063178304 357552721 /nfs/dbraw/zinc/55/27/21/357552721.db2.gz SOUIKMMBSMRBST-GFCCVEGCSA-N 2 0 241.379 0.964 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188739003 357566945 /nfs/dbraw/zinc/56/69/45/357566945.db2.gz KGBQYCMPHWLIKQ-HBNTYKKESA-N 2 0 243.326 0.287 20 0 BCADRP O[C@H](C[NH2+]CC[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000231708356 357622505 /nfs/dbraw/zinc/62/25/05/357622505.db2.gz XVXJFLKYFICOLT-QWHCGFSZSA-N 2 0 242.363 0.459 20 0 BCADRP O[C@@H](C[NH2+]CC[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000231708347 357622824 /nfs/dbraw/zinc/62/28/24/357622824.db2.gz XVXJFLKYFICOLT-OLZOCXBDSA-N 2 0 242.363 0.459 20 0 BCADRP Cn1nccc1C[NH2+]CCOCC[NH+](C)C ZINC000231675957 357618530 /nfs/dbraw/zinc/61/85/30/357618530.db2.gz BRGAFDMSSPSVEI-UHFFFAOYSA-N 2 0 226.324 0.088 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)CCO1 ZINC000231676240 357619409 /nfs/dbraw/zinc/61/94/09/357619409.db2.gz BRIPWSTZDHTMBB-VXGBXAGGSA-N 2 0 230.352 0.722 20 0 BCADRP Cc1n[nH]cc1C[NH2+]CCOCC[NH+](C)C ZINC000231676083 357619595 /nfs/dbraw/zinc/61/95/95/357619595.db2.gz XBCILAXEXJKIMW-UHFFFAOYSA-N 2 0 226.324 0.386 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000160676784 538885645 /nfs/dbraw/zinc/88/56/45/538885645.db2.gz BWJWMSPBPWGMFW-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C[C@H](C[NH3+])OC ZINC000232119485 357646998 /nfs/dbraw/zinc/64/69/98/357646998.db2.gz HBCZBEMPDWPYLT-GHMZBOCLSA-N 2 0 245.367 0.197 20 0 BCADRP [NH3+]CCCn1cc([C@@H]2CCCC[NH2+]2)nn1 ZINC000685947111 538888520 /nfs/dbraw/zinc/88/85/20/538888520.db2.gz RIVZTJUQTVIXRM-VIFPVBQESA-N 2 0 209.297 0.442 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)CS1 ZINC000397584201 363588391 /nfs/dbraw/zinc/58/83/91/363588391.db2.gz GOBBRWRHISNXAM-QWRGUYRKSA-N 2 0 244.404 0.927 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000418388602 357807983 /nfs/dbraw/zinc/80/79/83/357807983.db2.gz SPXHXFJNOINYCJ-VIFPVBQESA-N 2 0 228.340 0.165 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000086070272 357818064 /nfs/dbraw/zinc/81/80/64/357818064.db2.gz NFRFNQJPOZEVNJ-MNOVXSKESA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H]1C[C@H](C(=O)NCCCC[NH+](C)C)CC[NH2+]1 ZINC000235304423 357864394 /nfs/dbraw/zinc/86/43/94/357864394.db2.gz HXBSCFPHYUMYCM-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000399082187 357895966 /nfs/dbraw/zinc/89/59/66/357895966.db2.gz SJTNNHGZFJYXED-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](C)CC2)CC[NH2+]1 ZINC000235370271 357868353 /nfs/dbraw/zinc/86/83/53/357868353.db2.gz OUSKZRIEJJRGMW-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000399074931 357895151 /nfs/dbraw/zinc/89/51/51/357895151.db2.gz PGBXTAREBUBFHU-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP CC1(C(=O)NCC[NH+]2CCCCCC2)C[NH2+]C1 ZINC000399295950 357901539 /nfs/dbraw/zinc/90/15/39/357901539.db2.gz VACUJYLDSICEQK-UHFFFAOYSA-N 2 0 239.363 0.588 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000583321412 357903265 /nfs/dbraw/zinc/90/32/65/357903265.db2.gz HIVYMYBCTHVSQL-SRVKXCTJSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)[C@H](C(=O)NCCC[NH3+])[C@H](C)[NH3+] ZINC000399422136 357906236 /nfs/dbraw/zinc/90/62/36/357906236.db2.gz FTFCAZDCYSDYRS-IUCAKERBSA-N 2 0 201.314 0.071 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NCC[N@H+](C)C2CC2)CC[NH2+]1 ZINC000235689583 357928263 /nfs/dbraw/zinc/92/82/63/357928263.db2.gz IXQMZZOYVCLSAY-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000583807686 357955051 /nfs/dbraw/zinc/95/50/51/357955051.db2.gz WBRWSDDJMHZKDY-RYUDHWBXSA-N 2 0 246.395 0.950 20 0 BCADRP C[C@H]([NH2+]C[C@@H](CO)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000584463671 357979913 /nfs/dbraw/zinc/97/99/13/357979913.db2.gz DDDBTZSHAVLERN-DRZSPHRISA-N 2 0 226.364 0.983 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000584459546 357984697 /nfs/dbraw/zinc/98/46/97/357984697.db2.gz UWDBQAZLQNCTOQ-MDZLAQPJSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCC[NH+](C)C ZINC000133595582 325302865 /nfs/dbraw/zinc/30/28/65/325302865.db2.gz PZYCDUMWFBQZLA-NSHDSACASA-N 2 0 244.383 0.578 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000219928978 358010849 /nfs/dbraw/zinc/01/08/49/358010849.db2.gz GPOUDBXQDYUDGZ-NEPJUHHUSA-N 2 0 241.379 0.688 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)NCC[NH+](C)C ZINC000133671594 325307897 /nfs/dbraw/zinc/30/78/97/325307897.db2.gz GPYVFXVZFLPVGD-UHFFFAOYSA-N 2 0 244.383 0.579 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000583861366 358021836 /nfs/dbraw/zinc/02/18/36/358021836.db2.gz SOGMFDWIDPWAED-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000583861367 358021941 /nfs/dbraw/zinc/02/19/41/358021941.db2.gz SOGMFDWIDPWAED-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP [NH3+]CCC1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000584537134 358048278 /nfs/dbraw/zinc/04/82/78/358048278.db2.gz GYCCTRJKZPHFAR-YPMHNXCESA-N 2 0 237.347 0.326 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000169110387 134249359 /nfs/dbraw/zinc/24/93/59/134249359.db2.gz QBTROBOTBZDKHQ-CMPLNLGQSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000169110653 134249701 /nfs/dbraw/zinc/24/97/01/134249701.db2.gz QBTROBOTBZDKHQ-PWSUYJOCSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000583871180 358068318 /nfs/dbraw/zinc/06/83/18/358068318.db2.gz QBZJOVQJNNAWJN-VHSXEESVSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000583871179 358068367 /nfs/dbraw/zinc/06/83/67/358068367.db2.gz QBZJOVQJNNAWJN-UWVGGRQHSA-N 2 0 225.336 0.324 20 0 BCADRP CN(CC[C@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000583872476 358081395 /nfs/dbraw/zinc/08/13/95/358081395.db2.gz KWGWIJLCVSXWJO-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)C[NH2+]C2CC2)CC1 ZINC000037609170 358083211 /nfs/dbraw/zinc/08/32/11/358083211.db2.gz AYOXMPRHARTGEJ-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C[NH2+]C1CC1 ZINC000037609199 358083232 /nfs/dbraw/zinc/08/32/32/358083232.db2.gz WBGIFCPSKQWAEF-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)CC[NH2+]C(C)C)C1 ZINC000037643485 358084503 /nfs/dbraw/zinc/08/45/03/358084503.db2.gz YADWAXDIUCYABZ-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000584599402 358103929 /nfs/dbraw/zinc/10/39/29/358103929.db2.gz YBIOCNMKZZQXET-NDMJEZRESA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000669521376 491123110 /nfs/dbraw/zinc/12/31/10/491123110.db2.gz XSIRTDPMCMDPEZ-LPEHRKFASA-N 2 0 213.325 0.308 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334238959 491123773 /nfs/dbraw/zinc/12/37/73/491123773.db2.gz UDXPHOOERRALJM-DGCLKSJQSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]1CCN(C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000584783017 358177163 /nfs/dbraw/zinc/17/71/63/358177163.db2.gz IOLPGLMWEAXVNW-WDEREUQCSA-N 2 0 240.351 0.023 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000584781956 358177238 /nfs/dbraw/zinc/17/72/38/358177238.db2.gz QXPWPKUQBDZTEB-GXFFZTMASA-N 2 0 239.363 0.620 20 0 BCADRP NC(=O)c1ccc(CN2CCC[NH2+]CC2)cc1 ZINC000019507647 181295568 /nfs/dbraw/zinc/29/55/68/181295568.db2.gz FGTNVBSRHQWVPO-UHFFFAOYSA-N 2 0 233.315 0.581 20 0 BCADRP CC(C)OC1CC([NH2+]CCN2CC[C@@H](O)C2)C1 ZINC000628465096 358229753 /nfs/dbraw/zinc/22/97/53/358229753.db2.gz SOHZSRXQQXLQNQ-OTTFEQOBSA-N 2 0 242.363 0.599 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224294053 358232670 /nfs/dbraw/zinc/23/26/70/358232670.db2.gz QIDNCFGJJNAGML-VHSXEESVSA-N 2 0 213.325 0.311 20 0 BCADRP [NH3+]Cc1ccc(CN[C@H]2CC[NH2+]C2)cc1 ZINC000224981722 358243518 /nfs/dbraw/zinc/24/35/18/358243518.db2.gz CLAKPVPDKGRDNB-LBPRGKRZSA-N 2 0 205.305 0.597 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040624496 358244354 /nfs/dbraw/zinc/24/43/54/358244354.db2.gz OGZXGRVPMIYRHT-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]CCCCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000040832462 358246473 /nfs/dbraw/zinc/24/64/73/358246473.db2.gz VMYKSEZJSXOACJ-GFCCVEGCSA-N 2 0 235.331 0.932 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000653232633 491128519 /nfs/dbraw/zinc/12/85/19/491128519.db2.gz GLRSQOVRLCPKJW-GUBZILKMSA-N 2 0 213.325 0.310 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH2+]C1CC1 ZINC000226082811 358333731 /nfs/dbraw/zinc/33/37/31/358333731.db2.gz FILIGPTXBGHKEA-LLVKDONJSA-N 2 0 225.336 0.339 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C1CC[NH2+]CC1 ZINC000041680235 358333968 /nfs/dbraw/zinc/33/39/68/358333968.db2.gz NRIOYKHLDRVGTO-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP [NH3+]CC1(CCNC(=O)CC2CC[NH2+]CC2)CC1 ZINC000653216172 491128274 /nfs/dbraw/zinc/12/82/74/491128274.db2.gz QKGXRMWYNXTLQW-UHFFFAOYSA-N 2 0 239.363 0.621 20 0 BCADRP [NH3+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000653216206 491128313 /nfs/dbraw/zinc/12/83/13/491128313.db2.gz RWVPXWGWLUXZBC-GHMZBOCLSA-N 2 0 239.363 0.749 20 0 BCADRP CC[N@H+](CCNC(=O)C[NH2+]C1CC1)C1CC1 ZINC000229094085 358344766 /nfs/dbraw/zinc/34/47/66/358344766.db2.gz QYFUORZAGRBHPW-UHFFFAOYSA-N 2 0 225.336 0.339 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227071247 358348479 /nfs/dbraw/zinc/34/84/79/358348479.db2.gz SDCNCXXKNWAFLQ-VHSXEESVSA-N 2 0 214.309 0.609 20 0 BCADRP C[C@H](CNC(=O)CCCC[NH3+])[N@H+](C)C1CC1 ZINC000227833482 358364581 /nfs/dbraw/zinc/36/45/81/358364581.db2.gz WAHBLHKTCXVMTN-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@@H](C(=O)N[C@H](C)C[NH3+])[NH+](CC)CC ZINC000347688475 535425339 /nfs/dbraw/zinc/42/53/39/535425339.db2.gz MTZNAXNRHFCZHX-ZJUUUORDSA-N 2 0 215.341 0.570 20 0 BCADRP COC(=O)CCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529182 358389269 /nfs/dbraw/zinc/38/92/69/358389269.db2.gz PJIUSSNGGIDHTG-SNVBAGLBSA-N 2 0 214.309 0.610 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044539004 358391188 /nfs/dbraw/zinc/39/11/88/358391188.db2.gz OPSVMRKQUWZLCQ-TUAOUCFPSA-N 2 0 241.379 0.818 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000230191536 358395870 /nfs/dbraw/zinc/39/58/70/358395870.db2.gz APCDGISACBPSON-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000230191423 358396323 /nfs/dbraw/zinc/39/63/23/358396323.db2.gz PWXCQXJABPDHSB-QJPTWQEYSA-N 2 0 241.379 0.831 20 0 BCADRP CO[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CC[C@@H]1C ZINC000230312655 358397572 /nfs/dbraw/zinc/39/75/72/358397572.db2.gz CYVDYUQFNDELQS-STQMWFEESA-N 2 0 241.379 0.248 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000309413199 358446791 /nfs/dbraw/zinc/44/67/91/358446791.db2.gz IXLVMEVWHGQXKR-OPRDCNLKSA-N 2 0 215.341 0.603 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H](C)C[NH3+] ZINC000045708984 358416060 /nfs/dbraw/zinc/41/60/60/358416060.db2.gz RDJBXCOCROBZNK-JTQLQIEISA-N 2 0 215.341 0.381 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(C)=O ZINC000125554369 358542263 /nfs/dbraw/zinc/54/22/63/358542263.db2.gz DEDALUOAGAOXES-CYBMUJFWSA-N 2 0 241.379 0.881 20 0 BCADRP Cn1ccnc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000044518331 358550122 /nfs/dbraw/zinc/55/01/22/358550122.db2.gz IJHQZCXANRTGIV-UHFFFAOYSA-N 2 0 222.336 0.852 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)CC[N@@H+]1C ZINC000219307104 134281577 /nfs/dbraw/zinc/28/15/77/134281577.db2.gz ABGZKIXVZNQCBF-OLZOCXBDSA-N 3 0 243.395 0.637 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C[NH3+])C(C)C ZINC000044794809 358553684 /nfs/dbraw/zinc/55/36/84/358553684.db2.gz YNAYMAZDMGLJSQ-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000086271773 358573007 /nfs/dbraw/zinc/57/30/07/358573007.db2.gz YWUWLLYVKCVJLN-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000086271515 358574378 /nfs/dbraw/zinc/57/43/78/358574378.db2.gz UZLMEFFWOCYVLS-VHSXEESVSA-N 2 0 227.352 0.441 20 0 BCADRP CC[NH+]1CCC([NH2+]CCNC(=O)C2CC2)CC1 ZINC000130681479 358639600 /nfs/dbraw/zinc/63/96/00/358639600.db2.gz XMABNHHGQNFQRG-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129622111 358590747 /nfs/dbraw/zinc/59/07/47/358590747.db2.gz NBCLOVBDNGNJDE-WSMDXJOWSA-N 2 0 237.347 0.528 20 0 BCADRP CC[NH+]1CCC([NH2+]CC2(CO)CC2)CC1 ZINC000132378241 491135632 /nfs/dbraw/zinc/13/56/32/491135632.db2.gz XWNSEGQANYACOC-UHFFFAOYSA-N 2 0 212.337 0.833 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000131622227 358687153 /nfs/dbraw/zinc/68/71/53/358687153.db2.gz LFDPOTKMHGZWAT-ZDUSSCGKSA-N 2 0 247.342 0.427 20 0 BCADRP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131647179 358688061 /nfs/dbraw/zinc/68/80/61/358688061.db2.gz LMYACUBMOAPZPS-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559775 358695104 /nfs/dbraw/zinc/69/51/04/358695104.db2.gz WOMORZQQZXYRNU-MNOVXSKESA-N 2 0 229.368 0.960 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559677 358695128 /nfs/dbraw/zinc/69/51/28/358695128.db2.gz IBSKSKJEBVLHKB-GARJFASQSA-N 2 0 229.368 0.816 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559634 358695367 /nfs/dbraw/zinc/69/53/67/358695367.db2.gz XKPCFEPKSPLAQH-ZYHUDNBSSA-N 2 0 229.368 0.960 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)C[C@@H](C)[NH2+]1 ZINC000131855222 358697805 /nfs/dbraw/zinc/69/78/05/358697805.db2.gz DKSUIFOQNQQCGZ-GHMZBOCLSA-N 2 0 247.342 0.968 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2COCCO2)CC[N@@H+]1C ZINC000133879966 358771559 /nfs/dbraw/zinc/77/15/59/358771559.db2.gz NEOKTHDAJRDEDM-IJLUTSLNSA-N 2 0 228.336 0.474 20 0 BCADRP COC[C@@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000050120199 358717204 /nfs/dbraw/zinc/71/72/04/358717204.db2.gz NYTBWTGFXRODNW-OLZOCXBDSA-N 2 0 244.379 0.800 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@]2(O)CCOC2)CC1 ZINC000132339131 358718922 /nfs/dbraw/zinc/71/89/22/358718922.db2.gz MKVRBWVEIKQXFT-GFCCVEGCSA-N 2 0 228.336 0.212 20 0 BCADRP C[C@H](CCO)[NH2+]Cc1cnc(N(C)C)n1C ZINC000132412501 358722790 /nfs/dbraw/zinc/72/27/90/358722790.db2.gz ZAPTVBOSPGMHCX-SECBINFHSA-N 2 0 226.324 0.347 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132931042 358740110 /nfs/dbraw/zinc/74/01/10/358740110.db2.gz BFDMCUGFKJVUTR-VWYCJHECSA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@]1(C(=O)NC[C@@H](C)C[NH2+]C)CCC[NH2+]1 ZINC000134368299 358788381 /nfs/dbraw/zinc/78/83/81/358788381.db2.gz VRKKLNMAKIIBMD-CMPLNLGQSA-N 2 0 227.352 0.490 20 0 BCADRP CC[NH+]1CCC([NH2+]CC(C)(C)C(N)=O)CC1 ZINC000134818410 358808132 /nfs/dbraw/zinc/80/81/32/358808132.db2.gz IHDWEMRQMCSCIV-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1CCN(C(=O)c2c[nH+]ccc2N)C[C@H]1C[NH3+] ZINC000564083756 358849546 /nfs/dbraw/zinc/84/95/46/358849546.db2.gz BHMYFJCCWSGLSG-NXEZZACHSA-N 2 0 248.330 0.551 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055090044 358882844 /nfs/dbraw/zinc/88/28/44/358882844.db2.gz VXBDZCQPVYFPIG-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CC[NH2+]C1 ZINC000137485728 358895996 /nfs/dbraw/zinc/89/59/96/358895996.db2.gz VKQZECZJOXEMSA-ZYHUDNBSSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000137337131 358896008 /nfs/dbraw/zinc/89/60/08/358896008.db2.gz BTLXIDZLHVHXHM-QWRGUYRKSA-N 2 0 237.347 0.230 20 0 BCADRP CC[N@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC000137530623 358896796 /nfs/dbraw/zinc/89/67/96/358896796.db2.gz LSQNRMOGSYGVAP-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CS(=O)(=O)CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403377 358967647 /nfs/dbraw/zinc/96/76/47/358967647.db2.gz HFGPNBVYGRZNFA-VHSXEESVSA-N 2 0 234.365 0.281 20 0 BCADRP CS(=O)(=O)CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086403382 358967960 /nfs/dbraw/zinc/96/79/60/358967960.db2.gz HFGPNBVYGRZNFA-NXEZZACHSA-N 2 0 234.365 0.281 20 0 BCADRP COCCOCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086403785 358968060 /nfs/dbraw/zinc/96/80/60/358968060.db2.gz DDNLZTCYDMPVTG-GHMZBOCLSA-N 2 0 216.325 0.509 20 0 BCADRP C[C@H](CCO)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086404788 358968185 /nfs/dbraw/zinc/96/81/85/358968185.db2.gz FEZLVVSPIUOKEM-VWYCJHECSA-N 2 0 200.326 0.864 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC000086403569 358968747 /nfs/dbraw/zinc/96/87/47/358968747.db2.gz IXCQEDLFJKORDB-MNOVXSKESA-N 2 0 208.309 0.743 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)[C@@H]1C[NH3+] ZINC000247035154 359186209 /nfs/dbraw/zinc/18/62/09/359186209.db2.gz SIOFMJIRCJWSOJ-GRYCIOLGSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)[C@H]1C[NH3+] ZINC000247035176 359187041 /nfs/dbraw/zinc/18/70/41/359187041.db2.gz SIOFMJIRCJWSOJ-WOPDTQHZSA-N 2 0 239.363 0.572 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423353594 192726047 /nfs/dbraw/zinc/72/60/47/192726047.db2.gz LZBXUHXCPXUBQS-WZRBSPASSA-N 2 0 239.363 0.585 20 0 BCADRP NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246522746 359143509 /nfs/dbraw/zinc/14/35/09/359143509.db2.gz IWKRNLBKSBHNAT-CMPLNLGQSA-N 2 0 237.347 0.420 20 0 BCADRP CNC(=O)CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860294 359230621 /nfs/dbraw/zinc/23/06/21/359230621.db2.gz QUWHKOPMHCEQGD-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)N(C)C)[C@@H](C)C1 ZINC000247161583 359198369 /nfs/dbraw/zinc/19/83/69/359198369.db2.gz XUDWYTXXJQBJFB-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@H](C)C[NH3+])[C@H](C)[NH3+] ZINC000423444990 192771673 /nfs/dbraw/zinc/77/16/73/192771673.db2.gz BJOVOAUHKQJQGP-KXUCPTDWSA-N 2 0 215.341 0.317 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C1([NH+](C)C)CC1 ZINC000611802574 359451222 /nfs/dbraw/zinc/45/12/22/359451222.db2.gz LCIJLBZKPPWYNB-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[C@H](C)[NH3+] ZINC000423476833 192786979 /nfs/dbraw/zinc/78/69/79/192786979.db2.gz SPXDPXFYGQPSKU-RHYQMDGZSA-N 2 0 241.379 0.802 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H]([NH3+])C1CC1)[C@H](C)[NH3+] ZINC000423488077 192793154 /nfs/dbraw/zinc/79/31/54/192793154.db2.gz YHCGBGPAWJHHGH-GDPRMGEGSA-N 2 0 227.352 0.459 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC000423638472 192819538 /nfs/dbraw/zinc/81/95/38/192819538.db2.gz UVAXRHHKOOHEER-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC[C@@H]1CCC[NH2+]C1 ZINC000580431307 359543061 /nfs/dbraw/zinc/54/30/61/359543061.db2.gz ITYNYLMWEJBFJX-GHMZBOCLSA-N 2 0 213.369 0.949 20 0 BCADRP CC(C)CN(C(=O)[C@@H](C)[NH3+])C1CC[NH+](C)CC1 ZINC000580432538 359544163 /nfs/dbraw/zinc/54/41/63/359544163.db2.gz LZTYQPSXKGFIBT-LLVKDONJSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000580429429 359546709 /nfs/dbraw/zinc/54/67/09/359546709.db2.gz FNAUUWFBDMFAFV-KOLCDFICSA-N 2 0 221.304 0.540 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000580429430 359547011 /nfs/dbraw/zinc/54/70/11/359547011.db2.gz FNAUUWFBDMFAFV-MWLCHTKSSA-N 2 0 221.304 0.540 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000580429431 359547097 /nfs/dbraw/zinc/54/70/97/359547097.db2.gz FNAUUWFBDMFAFV-ONGXEEELSA-N 2 0 221.304 0.540 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000580429428 359547155 /nfs/dbraw/zinc/54/71/55/359547155.db2.gz FNAUUWFBDMFAFV-GXSJLCMTSA-N 2 0 221.304 0.540 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000423543888 192809590 /nfs/dbraw/zinc/80/95/90/192809590.db2.gz IBOVRKTZCCGHPU-ZJUUUORDSA-N 2 0 225.336 0.230 20 0 BCADRP CC[C@@H](CO)[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000379609507 359566730 /nfs/dbraw/zinc/56/67/30/359566730.db2.gz SHFKVNCYYWLTOG-VWYCJHECSA-N 2 0 200.326 0.687 20 0 BCADRP C[C@H](N[C@@H]1CCCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423552393 192811163 /nfs/dbraw/zinc/81/11/63/192811163.db2.gz JVLBCMVZHPALMA-TUAOUCFPSA-N 2 0 211.353 0.859 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[C@@H](C)[NH3+] ZINC000423567213 192814355 /nfs/dbraw/zinc/81/43/55/192814355.db2.gz ZXESGAIIMFRTGS-QCNOEVLYSA-N 2 0 241.379 0.720 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000423764076 192831211 /nfs/dbraw/zinc/83/12/11/192831211.db2.gz WQHRNIYYCOPJQC-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000424045258 192855955 /nfs/dbraw/zinc/85/59/55/192855955.db2.gz MQRHKLIWIGKLJC-TUAOUCFPSA-N 2 0 239.363 0.775 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424043235 192856113 /nfs/dbraw/zinc/85/61/13/192856113.db2.gz FUJABFKWDAFSEY-WRWGMCAJSA-N 2 0 239.363 0.631 20 0 BCADRP COC(=O)CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380171528 359733844 /nfs/dbraw/zinc/73/38/44/359733844.db2.gz WZJZOBHNSQOPJO-TXEJJXNPSA-N 2 0 240.347 0.871 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000578356036 366537796 /nfs/dbraw/zinc/53/77/96/366537796.db2.gz REIYXMVCJDZYIS-AXFHLTTASA-N 2 0 225.336 0.100 20 0 BCADRP C1[NH2+]CC1N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000578497278 366579231 /nfs/dbraw/zinc/57/92/31/366579231.db2.gz QSFVPUVYKDLUJJ-JHJVBQTASA-N 2 0 223.364 0.859 20 0 BCADRP CC[NH2+]CCCNC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000578505559 366581478 /nfs/dbraw/zinc/58/14/78/366581478.db2.gz OSROXJXDTFVJKA-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]([NH3+])C(C)C ZINC000087471650 366581574 /nfs/dbraw/zinc/58/15/74/366581574.db2.gz HIVSOOINKJPYQN-SECBINFHSA-N 2 0 201.314 0.038 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000578524620 366590862 /nfs/dbraw/zinc/59/08/62/366590862.db2.gz LWEIALYXRIFJDQ-QWRGUYRKSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000578609525 366606137 /nfs/dbraw/zinc/60/61/37/366606137.db2.gz BYLZUWUZTIALOU-NSHDSACASA-N 2 0 242.367 0.411 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)c1ccnc(C[NH3+])c1 ZINC000578748293 366634198 /nfs/dbraw/zinc/63/41/98/366634198.db2.gz UNQWQYOSTZSEHJ-SECBINFHSA-N 2 0 236.319 0.398 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N(C)CCC[NH3+] ZINC000578908454 366673454 /nfs/dbraw/zinc/67/34/54/366673454.db2.gz DZUWMCMDTHBJBK-SECBINFHSA-N 2 0 216.329 0.104 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCN2CCO[C@H](C)C2)C1 ZINC000578868058 366661343 /nfs/dbraw/zinc/66/13/43/366661343.db2.gz OBDSILKYCFJVMO-UPJWGTAASA-N 2 0 241.379 0.376 20 0 BCADRP CC[NH+](CC)CCCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000089717676 360036101 /nfs/dbraw/zinc/03/61/01/360036101.db2.gz RPTRYWPCDVTQAQ-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP CC[NH+](CC)CCCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089717675 360036197 /nfs/dbraw/zinc/03/61/97/360036197.db2.gz RPTRYWPCDVTQAQ-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@H]2CN(C)CCO2)CC1 ZINC000091666842 360122097 /nfs/dbraw/zinc/12/20/97/360122097.db2.gz HVEAXHKPISMNKE-ZDUSSCGKSA-N 2 0 241.379 0.391 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCOC2)CC1(C)C ZINC000623472945 360197630 /nfs/dbraw/zinc/19/76/30/360197630.db2.gz CGGIZKBNQPCTOX-AAEUAGOBSA-N 2 0 242.363 0.600 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000092136974 360154179 /nfs/dbraw/zinc/15/41/79/360154179.db2.gz YRCCNJCLAISKJL-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)[C@@]1(CNC(=O)C(C)(C)[NH3+])CCSC1 ZINC000430676699 192883552 /nfs/dbraw/zinc/88/35/52/192883552.db2.gz PCVIHPMEBLTIPV-LLVKDONJSA-N 2 0 245.392 0.277 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612917255 360176387 /nfs/dbraw/zinc/17/63/87/360176387.db2.gz DYMOPLHZXJHOHA-ZYHUDNBSSA-N 2 0 242.367 0.411 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612917091 360176793 /nfs/dbraw/zinc/17/67/93/360176793.db2.gz DYMOPLHZXJHOHA-CMPLNLGQSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@]1(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000612921372 360181815 /nfs/dbraw/zinc/18/18/15/360181815.db2.gz QYNFSNBNROLQEL-UMNHJUIQSA-N 2 0 240.351 0.308 20 0 BCADRP C[C@]1(NC(=O)NC[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000612915677 360190223 /nfs/dbraw/zinc/19/02/23/360190223.db2.gz STWNBRLWJZVTIT-PWSUYJOCSA-N 2 0 240.351 0.037 20 0 BCADRP C[C@@]1(NC(=O)NC[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000612915675 360190437 /nfs/dbraw/zinc/19/04/37/360190437.db2.gz STWNBRLWJZVTIT-CMPLNLGQSA-N 2 0 240.351 0.037 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612923548 360193572 /nfs/dbraw/zinc/19/35/72/360193572.db2.gz CVMJUHGSSRIWRE-ZYHUDNBSSA-N 2 0 242.367 0.555 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612993544 360248135 /nfs/dbraw/zinc/24/81/35/360248135.db2.gz NVCVUHRFTPQTHO-GUBZILKMSA-N 2 0 240.351 0.163 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612996561 360250025 /nfs/dbraw/zinc/25/00/25/360250025.db2.gz QNBJPLVOCLEVRS-UWVGGRQHSA-N 2 0 240.351 0.036 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000626946081 360528749 /nfs/dbraw/zinc/52/87/49/360528749.db2.gz RDEJQQCQWNXTAH-SNVBAGLBSA-N 2 0 228.340 0.071 20 0 BCADRP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000628647896 360592522 /nfs/dbraw/zinc/59/25/22/360592522.db2.gz LFWMXKIJPYCUBU-VHSXEESVSA-N 2 0 213.325 0.147 20 0 BCADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CC[NH3+] ZINC000430898252 192895642 /nfs/dbraw/zinc/89/56/42/192895642.db2.gz VGZMUCONFKGXJL-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449747345 200700603 /nfs/dbraw/zinc/70/06/03/200700603.db2.gz IXAMBANNOFQVFK-RHYQMDGZSA-N 2 0 237.347 0.195 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH2+]C ZINC000154732033 360848840 /nfs/dbraw/zinc/84/88/40/360848840.db2.gz KQJBUGZYMYKUAD-LPEHRKFASA-N 2 0 215.341 0.332 20 0 BCADRP C[NH2+]CC1CC[NH+](CCN2CCCC2=O)CC1 ZINC000430924736 192898051 /nfs/dbraw/zinc/89/80/51/192898051.db2.gz JAXCUGRIAAODSV-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000418433804 200841907 /nfs/dbraw/zinc/84/19/07/200841907.db2.gz DOOBVBVYXAFPAS-MNOVXSKESA-N 2 0 244.383 0.657 20 0 BCADRP [NH3+]CCCOCC[NH2+]Cc1ccccn1 ZINC000629398581 361048798 /nfs/dbraw/zinc/04/87/98/361048798.db2.gz VKFIUTLXTAUJTH-UHFFFAOYSA-N 2 0 209.293 0.537 20 0 BCADRP [NH3+]CCCOCC[NH2+]Cc1cnc2ccccn12 ZINC000629398751 361049420 /nfs/dbraw/zinc/04/94/20/361049420.db2.gz HJKVEORAZFAAGX-UHFFFAOYSA-N 2 0 248.330 0.789 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@H]1CCCSC1 ZINC000629399167 361050068 /nfs/dbraw/zinc/05/00/68/361050068.db2.gz NJQBWXNXXBOROS-JTQLQIEISA-N 2 0 218.366 0.837 20 0 BCADRP [NH3+]CCCOCC[NH2+]Cc1cncs1 ZINC000629399530 361050924 /nfs/dbraw/zinc/05/09/24/361050924.db2.gz TXQPGWZDCJGDIK-UHFFFAOYSA-N 2 0 215.322 0.598 20 0 BCADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629399829 361050938 /nfs/dbraw/zinc/05/09/38/361050938.db2.gz CNXYSJFTBMWVBZ-AAEUAGOBSA-N 2 0 241.379 0.424 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000424141098 200867604 /nfs/dbraw/zinc/86/76/04/200867604.db2.gz GTFHQOUKBPYSJD-GRYCIOLGSA-N 2 0 237.347 0.278 20 0 BCADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H]1CCC[N@@H+]1C ZINC000629519876 361120862 /nfs/dbraw/zinc/12/08/62/361120862.db2.gz RRVPKEYWBUVIMU-QNWHQSFQSA-N 2 0 241.379 0.423 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NCC1([NH3+])CCOCC1 ZINC000629518881 361118895 /nfs/dbraw/zinc/11/88/95/361118895.db2.gz CHKJVYFHORXAQR-NWDGAFQWSA-N 2 0 241.379 0.601 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578984427 366686189 /nfs/dbraw/zinc/68/61/89/366686189.db2.gz GWWIMZWDSGQGPL-GRYCIOLGSA-N 2 0 237.347 0.196 20 0 BCADRP CCn1nncc1C[NH2+][C@H](CCC[NH3+])COC ZINC000629512261 361107543 /nfs/dbraw/zinc/10/75/43/361107543.db2.gz UEGPFJAHUKJTAS-SNVBAGLBSA-N 2 0 241.339 0.142 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1NCC1([NH3+])CCOCC1 ZINC000629519625 361120145 /nfs/dbraw/zinc/12/01/45/361120145.db2.gz BXUDCDYUNCZCMY-MNOVXSKESA-N 2 0 227.352 0.034 20 0 BCADRP [NH3+]C1(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000361738906 181324171 /nfs/dbraw/zinc/32/41/71/181324171.db2.gz FYOFBDPWYAEAHR-SDDRHHMPSA-N 2 0 249.358 0.420 20 0 BCADRP [NH3+]C1(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000361738905 181323692 /nfs/dbraw/zinc/32/36/92/181323692.db2.gz FYOFBDPWYAEAHR-QJPTWQEYSA-N 2 0 249.358 0.420 20 0 BCADRP CCn1nncc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000629513528 361111286 /nfs/dbraw/zinc/11/12/86/361111286.db2.gz YURXPAYTANULSZ-SDDRHHMPSA-N 2 0 249.362 0.776 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000578986407 366686707 /nfs/dbraw/zinc/68/67/07/366686707.db2.gz YLZFHONHYHQMEA-JTQLQIEISA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NCC1([NH3+])CCOCC1 ZINC000629519978 361120521 /nfs/dbraw/zinc/12/05/21/361120521.db2.gz JMUACWJWQQVJAJ-QWRGUYRKSA-N 2 0 227.352 0.082 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCN(C)C1=O ZINC000629520249 361116760 /nfs/dbraw/zinc/11/67/60/361116760.db2.gz VJKIJAGJAVPHCB-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000629528050 361135216 /nfs/dbraw/zinc/13/52/16/361135216.db2.gz NNTILMXEHDCAKW-QNWHQSFQSA-N 2 0 241.379 0.484 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000629528523 361137402 /nfs/dbraw/zinc/13/74/02/361137402.db2.gz BDOXWLTVDQFPKY-NOOOWODRSA-N 2 0 211.353 0.857 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOCC[NH2+]C)[C@H](C)C1 ZINC000629528917 361137947 /nfs/dbraw/zinc/13/79/47/361137947.db2.gz MYTDZTBYENLHDG-CHWSQXEVSA-N 3 0 243.395 0.542 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000629530463 361144690 /nfs/dbraw/zinc/14/46/90/361144690.db2.gz HKYZXLYWLMJUFB-LLVKDONJSA-N 2 0 240.351 0.615 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccncc1 ZINC000629530075 361147951 /nfs/dbraw/zinc/14/79/51/361147951.db2.gz UMIWYSAHIUMQKY-LLVKDONJSA-N 2 0 223.320 0.968 20 0 BCADRP CC[C@H](NCCOCC[NH2+]C)[C@@H]1CCC[NH2+]1 ZINC000629531326 361149422 /nfs/dbraw/zinc/14/94/22/361149422.db2.gz HNZLWEQFOQDAQD-RYUDHWBXSA-N 2 0 229.368 0.343 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1COCCN1C ZINC000629532656 361153830 /nfs/dbraw/zinc/15/38/30/361153830.db2.gz LFAFHZZEFINATA-AGIUHOORSA-N 2 0 241.379 0.295 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1COCCN1C ZINC000629532824 361156146 /nfs/dbraw/zinc/15/61/46/361156146.db2.gz VGVZTNUWQUANRL-DCAQKATOSA-N 2 0 215.341 0.032 20 0 BCADRP CN1CCOC[C@@H]1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000629532919 361156273 /nfs/dbraw/zinc/15/62/73/361156273.db2.gz YIUYIPLDAGUKBQ-AVGNSLFASA-N 2 0 241.379 0.567 20 0 BCADRP Cn1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1=O ZINC000613211246 361274404 /nfs/dbraw/zinc/27/44/04/361274404.db2.gz MMLCSCUXZWEEHN-TXEJJXNPSA-N 2 0 233.315 0.037 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CCC[NH2+]C2)CCCCC1 ZINC000237805225 181328081 /nfs/dbraw/zinc/32/80/81/181328081.db2.gz WKQIUSKIWPXTAS-JTQLQIEISA-N 2 0 225.336 0.516 20 0 BCADRP COC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000579103827 366710605 /nfs/dbraw/zinc/71/06/05/366710605.db2.gz UXUHOSPDLBXANO-QWHCGFSZSA-N 2 0 244.379 0.704 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C1CC[NH2+]CC1)C1CCCC1 ZINC000579121747 366716162 /nfs/dbraw/zinc/71/61/62/366716162.db2.gz LRAFZHKENPERHK-GFCCVEGCSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2CCC[NH2+]CC2)CCCCC1 ZINC000376990544 181328357 /nfs/dbraw/zinc/32/83/57/181328357.db2.gz JEUVRJSNXGJTNL-LLVKDONJSA-N 2 0 239.363 0.906 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000579124418 366717635 /nfs/dbraw/zinc/71/76/35/366717635.db2.gz RHWOSYLGUFZZML-NGZCFLSTSA-N 2 0 213.325 0.213 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000579124159 366717956 /nfs/dbraw/zinc/71/79/56/366717956.db2.gz COQYCOJMWBHJKO-ZDUSSCGKSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000428363627 201011163 /nfs/dbraw/zinc/01/11/63/201011163.db2.gz ZNONNEOFXVWFCN-OUAUKWLOSA-N 2 0 225.336 0.419 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000428413205 201013226 /nfs/dbraw/zinc/01/32/26/201013226.db2.gz OLXDFAMDUHJNFW-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000428413217 201014109 /nfs/dbraw/zinc/01/41/09/201014109.db2.gz OLXDFAMDUHJNFW-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC000067571727 370685533 /nfs/dbraw/zinc/68/55/33/370685533.db2.gz OOEJXRPWCKMDTM-GFCCVEGCSA-N 2 0 241.379 0.927 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000622044526 370672776 /nfs/dbraw/zinc/67/27/76/370672776.db2.gz JBYMQHCDJQWYRT-UTUOFQBUSA-N 2 0 225.336 0.324 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000622044524 370673211 /nfs/dbraw/zinc/67/32/11/370673211.db2.gz JBYMQHCDJQWYRT-QJPTWQEYSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000622044327 370675793 /nfs/dbraw/zinc/67/57/93/370675793.db2.gz AUYHQDVPRKRVSN-UWVGGRQHSA-N 2 0 225.340 0.729 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000622044449 370675998 /nfs/dbraw/zinc/67/59/98/370675998.db2.gz GAKOZCLFBHLHEN-GRYCIOLGSA-N 2 0 225.336 0.467 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000622044562 370676941 /nfs/dbraw/zinc/67/69/41/370676941.db2.gz KOHHRQASFIVUSE-UHTWSYAYSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH3+])CC[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000622044482 370677126 /nfs/dbraw/zinc/67/71/26/370677126.db2.gz HPPGHLYDAIBBNI-ZMLRMANQSA-N 2 0 227.352 0.080 20 0 BCADRP C[C@H](Cc1cnccn1)[NH2+]CC[C@H](C)[NH3+] ZINC000622044494 370677547 /nfs/dbraw/zinc/67/75/47/370677547.db2.gz IANBVASTGHWFPG-VHSXEESVSA-N 2 0 208.309 0.735 20 0 BCADRP C[C@H]([NH3+])CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000622045388 370679676 /nfs/dbraw/zinc/67/96/76/370679676.db2.gz QYOVQNXLTALIMF-QJPTWQEYSA-N 2 0 211.353 0.940 20 0 BCADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)CC(=O)N(C)C ZINC000622045786 370680334 /nfs/dbraw/zinc/68/03/34/370680334.db2.gz ZAPXZGHEBRUHOT-IUCAKERBSA-N 2 0 201.314 0.180 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCC1 ZINC000147674450 181329421 /nfs/dbraw/zinc/32/94/21/181329421.db2.gz ZECYPNUATXVLCZ-QWRGUYRKSA-N 2 0 237.347 0.611 20 0 BCADRP C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000428952926 201051108 /nfs/dbraw/zinc/05/11/08/201051108.db2.gz NBJNNHLHQPBMBQ-GARJFASQSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000428952928 201053129 /nfs/dbraw/zinc/05/31/29/201053129.db2.gz NBJNNHLHQPBMBQ-GMTAPVOTSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428954363 201053467 /nfs/dbraw/zinc/05/34/67/201053467.db2.gz IIEKNKOSGXTBCU-NWDGAFQWSA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000428975271 201056313 /nfs/dbraw/zinc/05/63/13/201056313.db2.gz HENVMAJQPWKKOZ-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP CNC(=O)CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429033366 201062171 /nfs/dbraw/zinc/06/21/71/201062171.db2.gz FYANZCNTTOTSBL-LBPRGKRZSA-N 2 0 225.336 0.150 20 0 BCADRP [NH3+]C1(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000336516942 181330847 /nfs/dbraw/zinc/33/08/47/181330847.db2.gz QYOKHBCSWGAVHZ-UHFFFAOYSA-N 2 0 225.336 0.646 20 0 BCADRP C[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000429077094 201065439 /nfs/dbraw/zinc/06/54/39/201065439.db2.gz GJFDJZPDHBXFOO-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@H](C[NH3+])C1)[NH+](CC)CC ZINC000429066299 201066205 /nfs/dbraw/zinc/06/62/05/201066205.db2.gz SRKLGVCIBXFVAE-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H]2CCC[NH2+]2)CCCCC1 ZINC000237833105 181330473 /nfs/dbraw/zinc/33/04/73/181330473.db2.gz SGBBHDJASLKXKC-SNVBAGLBSA-N 2 0 225.336 0.516 20 0 BCADRP CC(C)(C[NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000429102697 201068107 /nfs/dbraw/zinc/06/81/07/201068107.db2.gz AVUITMWVIGRAFS-LLVKDONJSA-N 2 0 235.331 0.788 20 0 BCADRP CN(C[C@@H](O)C[N@H+](C)C1(CO)CCC1)C1CC1 ZINC000429265878 201086553 /nfs/dbraw/zinc/08/65/53/201086553.db2.gz HOBYKOUOEJIICY-GFCCVEGCSA-N 2 0 242.363 0.288 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000429156112 201074551 /nfs/dbraw/zinc/07/45/51/201074551.db2.gz DSVIABNYWCJSCU-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000429189622 201078638 /nfs/dbraw/zinc/07/86/38/201078638.db2.gz CLKJHOKHHVAMDN-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000429192627 201079283 /nfs/dbraw/zinc/07/92/83/201079283.db2.gz IBWBPUWLGIMZQP-MNOVXSKESA-N 2 0 239.363 0.749 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000429239476 201082743 /nfs/dbraw/zinc/08/27/43/201082743.db2.gz QPVCEONDNUEIFP-QJPTWQEYSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000629539310 361404773 /nfs/dbraw/zinc/40/47/73/361404773.db2.gz PQGIZYIWDDNMBM-LLVKDONJSA-N 3 0 215.341 0.084 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000629539226 361404927 /nfs/dbraw/zinc/40/49/27/361404927.db2.gz PADIDZZLWMSGFV-VXGBXAGGSA-N 3 0 229.368 0.459 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000579332968 366760972 /nfs/dbraw/zinc/76/09/72/366760972.db2.gz IQYNLMYBZORWMS-WDEREUQCSA-N 2 0 227.352 0.583 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000579343039 366761718 /nfs/dbraw/zinc/76/17/18/366761718.db2.gz HQYIXFZXSPBRPS-AXFHLTTASA-N 2 0 239.363 0.557 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000579355339 366768205 /nfs/dbraw/zinc/76/82/05/366768205.db2.gz FSASBSPULWJEGN-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH2+]CCOCCC[NH3+])[C@H]1C[C@H]1C ZINC000629536841 361400162 /nfs/dbraw/zinc/40/01/62/361400162.db2.gz JHFKLWNVIMVNPG-VWYCJHECSA-N 2 0 200.326 0.986 20 0 BCADRP CC[C@H]([NH2+]CCOCCC[NH3+])c1nccn1C ZINC000629538162 361402457 /nfs/dbraw/zinc/40/24/57/361402457.db2.gz MTBBPQOMMAHDEV-NSHDSACASA-N 2 0 240.351 0.826 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000429343743 201100661 /nfs/dbraw/zinc/10/06/61/201100661.db2.gz IPLHOSIFKWIYBO-MWLCHTKSSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000429343744 201100839 /nfs/dbraw/zinc/10/08/39/201100839.db2.gz IPLHOSIFKWIYBO-ONGXEEELSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H]([NH2+]CCOCCC[NH3+])[C@@H]1CCOC1 ZINC000629538792 361403171 /nfs/dbraw/zinc/40/31/71/361403171.db2.gz NBUPKZPTQLGRGS-WDEREUQCSA-N 2 0 216.325 0.366 20 0 BCADRP CCn1ccnc1[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629535499 361410490 /nfs/dbraw/zinc/41/04/90/361410490.db2.gz CMLOBUCBRDIDJD-LLVKDONJSA-N 2 0 240.351 0.919 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629534600 361407216 /nfs/dbraw/zinc/40/72/16/361407216.db2.gz AHDGTHAIUCBEBD-UWVGGRQHSA-N 3 0 203.330 0.067 20 0 BCADRP [NH3+]CCCOCC[NH2+]C1CCC(O)CC1 ZINC000629540729 361415478 /nfs/dbraw/zinc/41/54/78/361415478.db2.gz WWSKIZMHSDWYCX-UHFFFAOYSA-N 2 0 216.325 0.245 20 0 BCADRP C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C[NH2+]1 ZINC000629535661 361409823 /nfs/dbraw/zinc/40/98/23/361409823.db2.gz CSIMLFJHGOOOIN-WISYIIOYSA-N 2 0 211.353 0.844 20 0 BCADRP [NH3+]CC1CCC([NH2+]CCN2CC[C@H](O)C2)CC1 ZINC000629556134 361448540 /nfs/dbraw/zinc/44/85/40/361448540.db2.gz KSCQLGYZKVSXEJ-BPCQOVAHSA-N 2 0 241.379 0.160 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629555709 361448555 /nfs/dbraw/zinc/44/85/55/361448555.db2.gz BECVGFBLDWRCDW-XQQFMLRXSA-N 2 0 241.379 0.303 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)NCC1=CC[NH2+]CC1 ZINC000579471686 366819589 /nfs/dbraw/zinc/81/95/89/366819589.db2.gz RGCFUPGZEUEYNF-LLVKDONJSA-N 2 0 237.347 0.412 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)c1ccnc(C[NH3+])c1 ZINC000579471820 366819654 /nfs/dbraw/zinc/81/96/54/366819654.db2.gz AJPIGXMXTAJIMD-NSHDSACASA-N 2 0 236.319 0.253 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000579471826 366819781 /nfs/dbraw/zinc/81/97/81/366819781.db2.gz ASEDCELMLNXHDK-SDDRHHMPSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH2+]C1CC1 ZINC000579476210 366822641 /nfs/dbraw/zinc/82/26/41/366822641.db2.gz XCSIQOMGPRPQCP-GXSJLCMTSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCN(C)CC(F)F ZINC000629556778 361445442 /nfs/dbraw/zinc/44/54/42/361445442.db2.gz YMCPYHFVIJHDCS-BDAKNGLRSA-N 2 0 223.311 0.899 20 0 BCADRP C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000629541716 361416545 /nfs/dbraw/zinc/41/65/45/361416545.db2.gz UTCUBHWXOAFESL-WRWGMCAJSA-N 2 0 211.353 0.857 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000629541312 361416618 /nfs/dbraw/zinc/41/66/18/361416618.db2.gz YHWZGLMFKHTRCY-MNOVXSKESA-N 3 0 215.341 0.069 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542120 361417543 /nfs/dbraw/zinc/41/75/43/361417543.db2.gz YPCNFOHLKGZUPQ-WYUUTHIRSA-N 2 0 211.353 0.667 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCOCCC[NH3+])CC[N@@H+]1C ZINC000629542477 361419370 /nfs/dbraw/zinc/41/93/70/361419370.db2.gz YVXWCXNAJSNMAT-RYUDHWBXSA-N 3 0 229.368 0.424 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@@H](OC)C1CCC1 ZINC000629570689 361460717 /nfs/dbraw/zinc/46/07/17/361460717.db2.gz BAMCIRIAGXTYPM-CYBMUJFWSA-N 2 0 244.379 0.969 20 0 BCADRP Cc1ccc(C[N@H+](C)CCOCC[NH3+])nc1 ZINC000629578874 361465210 /nfs/dbraw/zinc/46/52/10/361465210.db2.gz XHVVTJIQRGWFHR-UHFFFAOYSA-N 2 0 223.320 0.797 20 0 BCADRP COCC[C@@H](C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629580143 361465498 /nfs/dbraw/zinc/46/54/98/361465498.db2.gz NFRHPAOSDWNXJU-CHWSQXEVSA-N 2 0 244.379 0.705 20 0 BCADRP C[C@H](F)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629580155 361466541 /nfs/dbraw/zinc/46/65/41/361466541.db2.gz NNMHMDWPJXDHDB-WDEREUQCSA-N 2 0 218.316 0.781 20 0 BCADRP OCC1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CCC1 ZINC000629583884 361467366 /nfs/dbraw/zinc/46/73/66/361467366.db2.gz JXUDMLHSRJWZRL-LBPRGKRZSA-N 2 0 242.363 0.195 20 0 BCADRP CC[C@H](C)[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629583465 361467812 /nfs/dbraw/zinc/46/78/12/361467812.db2.gz FRZWTUPZCAOKAH-RWMBFGLXSA-N 2 0 244.379 0.440 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000629583690 361467843 /nfs/dbraw/zinc/46/78/43/361467843.db2.gz JLAYYLUUMWPLFQ-OKILXGFUSA-N 3 0 237.391 0.917 20 0 BCADRP FCC[C@H]1CN(C[C@@H]2CC[NH2+]C2)CCO1 ZINC000629580751 361469297 /nfs/dbraw/zinc/46/92/97/361469297.db2.gz GNTFPRPWQIXEIR-MNOVXSKESA-N 2 0 216.300 0.656 20 0 BCADRP C([C@H]1CCSC1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000224617654 491158379 /nfs/dbraw/zinc/15/83/79/491158379.db2.gz CCFGJHWGJNKRNF-GMTAPVOTSA-N 2 0 212.362 0.891 20 0 BCADRP CCN(CC[NH3+])CCn1c(C)csc1=O ZINC000629557400 361454926 /nfs/dbraw/zinc/45/49/26/361454926.db2.gz LBKKEWYPCIKHFA-UHFFFAOYSA-N 2 0 229.349 0.499 20 0 BCADRP C[C@H]([NH3+])CN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561843 361456309 /nfs/dbraw/zinc/45/63/09/361456309.db2.gz JTKMLEQSDXOVDR-YIZRAAEISA-N 2 0 239.285 0.793 20 0 BCADRP CC[C@H](C(=O)N(C)CCC[NH3+])[NH+](C)C ZINC000629612560 361498778 /nfs/dbraw/zinc/49/87/78/361498778.db2.gz FQSWDYWLXJKEBM-SECBINFHSA-N 2 0 201.314 0.134 20 0 BCADRP CC[C@H](C(=O)N[C@H](C)CCC[NH3+])[NH+](C)C ZINC000629612581 361499097 /nfs/dbraw/zinc/49/90/97/361499097.db2.gz DQNYEWCWYQKUHL-NXEZZACHSA-N 2 0 215.341 0.570 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H](C[NH3+])C1)[NH+](C)C ZINC000629612461 361499216 /nfs/dbraw/zinc/49/92/16/361499216.db2.gz DCIKYSOAYMFIJY-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP CC[C@@H](C(=O)N[C@H]1CC12CC[NH2+]CC2)[NH+](C)C ZINC000629612701 361499227 /nfs/dbraw/zinc/49/92/27/361499227.db2.gz GKFSNMJRNAZIOM-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH3+])[NH+](C)C ZINC000629612714 361499338 /nfs/dbraw/zinc/49/93/38/361499338.db2.gz GRZKPYDEDSMYBG-MNOVXSKESA-N 2 0 229.368 0.960 20 0 BCADRP CC[C@H](C(=O)NC1CC[NH2+]CC1)[NH+](C)C ZINC000629610496 361500209 /nfs/dbraw/zinc/50/02/09/361500209.db2.gz DUMFGTMPYXPWEX-SNVBAGLBSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@H](C(=O)NC[C@H](C)C[NH3+])[NH+](C)C ZINC000629611771 361501640 /nfs/dbraw/zinc/50/16/40/361501640.db2.gz FLNFUNUVDSCLKQ-RKDXNWHRSA-N 2 0 201.314 0.038 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)[NH+](C)C ZINC000629612038 361502773 /nfs/dbraw/zinc/50/27/73/361502773.db2.gz PVSKETONHJXMPU-GMTAPVOTSA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[NH+](C)C ZINC000629612000 361502866 /nfs/dbraw/zinc/50/28/66/361502866.db2.gz OGKTWTFCBIICAP-HBNTYKKESA-N 2 0 227.352 0.441 20 0 BCADRP CC[C@@H](C(=O)NCC[NH2+]C1CC1)[NH+](C)C ZINC000629615239 361504244 /nfs/dbraw/zinc/50/42/44/361504244.db2.gz TUIPPAJZBHSCIY-JTQLQIEISA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@@H](C(=O)NC[C@H]([NH3+])C(C)C)[NH+](C)C ZINC000629615620 361505236 /nfs/dbraw/zinc/50/52/36/361505236.db2.gz WODQBZVDCTZIOZ-UWVGGRQHSA-N 2 0 215.341 0.426 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)[NH+](C)C ZINC000629613061 361506428 /nfs/dbraw/zinc/50/64/28/361506428.db2.gz KWSOZAQIWRVJPX-GARJFASQSA-N 2 0 227.352 0.441 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000629613545 361507456 /nfs/dbraw/zinc/50/74/56/361507456.db2.gz CEEYAJIODVCRGV-GMTAPVOTSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@@H](C(=O)NCC[C@@H]([NH3+])C(C)C)[NH+](C)C ZINC000629613477 361507627 /nfs/dbraw/zinc/50/76/27/361507627.db2.gz OOPBZXAOVHNWKE-MNOVXSKESA-N 2 0 229.368 0.816 20 0 BCADRP CC[C@@H](C(=O)N(C)CCC[NH2+]C)[NH+](C)C ZINC000629613518 361507858 /nfs/dbraw/zinc/50/78/58/361507858.db2.gz BSGQYHOOUZOKML-JTQLQIEISA-N 2 0 215.341 0.395 20 0 BCADRP CC[C@H](C(=O)N1CC2CC1(C[NH3+])C2)[NH+](C)C ZINC000629613652 361508036 /nfs/dbraw/zinc/50/80/36/361508036.db2.gz QFIDNHYWKXBZPA-SQLBVSGCSA-N 2 0 225.336 0.276 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1)[NH+](C)C ZINC000629613749 361508454 /nfs/dbraw/zinc/50/84/54/361508454.db2.gz SAZQKOFLEAVCAW-IJLUTSLNSA-N 2 0 241.379 0.912 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC000629613754 361508473 /nfs/dbraw/zinc/50/84/73/361508473.db2.gz SBLRUXVDZLHHAQ-ZJUUUORDSA-N 2 0 215.341 0.441 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H](CC)[NH+](C)C ZINC000629614379 361510060 /nfs/dbraw/zinc/51/00/60/361510060.db2.gz ZVXJZCVXXHQYRU-IUCAKERBSA-N 2 0 201.314 0.180 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@H](CC[NH3+])C1)[NH+](C)C ZINC000629612371 361497869 /nfs/dbraw/zinc/49/78/69/361497869.db2.gz AZUPNRYEAFHJGL-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](NCC2([NH3+])CCOCC2)C1 ZINC000629654611 361558362 /nfs/dbraw/zinc/55/83/62/361558362.db2.gz NFPXYPRYVOAYOS-WDEREUQCSA-N 2 0 227.352 0.082 20 0 BCADRP C1=C(CNC[C@@H]2C[NH2+]CCCO2)COCC1 ZINC000629648695 361537819 /nfs/dbraw/zinc/53/78/19/361537819.db2.gz ACAMVFCTZJODOT-LBPRGKRZSA-N 2 0 226.320 0.301 20 0 BCADRP C[C@@]1(CNCC2([NH3+])CCOCC2)CC[NH2+]C1 ZINC000629653518 361552731 /nfs/dbraw/zinc/55/27/31/361552731.db2.gz IQCUILBIUJMNAS-LLVKDONJSA-N 2 0 227.352 0.084 20 0 BCADRP COC[C@H](C)C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629653631 361553627 /nfs/dbraw/zinc/55/36/27/361553627.db2.gz RMHNORMCJSGEEY-MRVPVSSYSA-N 2 0 240.307 0.013 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN(C)CCOCC[NH3+] ZINC000629664022 361595527 /nfs/dbraw/zinc/59/55/27/361595527.db2.gz JDVUHJNVIZBVRT-LLVKDONJSA-N 2 0 217.357 0.267 20 0 BCADRP Cc1nn(C)cc1C[N@H+](C)CCOCC[NH3+] ZINC000629663109 361595604 /nfs/dbraw/zinc/59/56/04/361595604.db2.gz JSTJNRYFZGHMPJ-UHFFFAOYSA-N 2 0 226.324 0.136 20 0 BCADRP [NH3+]CCCOCC[NH2+]CC[C@@H]1CCOC1 ZINC000629678808 361600189 /nfs/dbraw/zinc/60/01/89/361600189.db2.gz KRNCMQHDXAGARY-LLVKDONJSA-N 2 0 216.325 0.368 20 0 BCADRP COCC(C)(C)C[NH2+]CCOCCC[NH3+] ZINC000629677726 361600410 /nfs/dbraw/zinc/60/04/10/361600410.db2.gz FIWRNZIYSBQBMO-UHFFFAOYSA-N 2 0 218.341 0.614 20 0 BCADRP CN(C)CC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434425782 201218961 /nfs/dbraw/zinc/21/89/61/201218961.db2.gz QRRZCHJTNBXOON-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(CC1(C[NH3+])CC1)C2 ZINC000629668172 361588757 /nfs/dbraw/zinc/58/87/57/361588757.db2.gz RUNHBJJNHBOASW-TXEJJXNPSA-N 2 0 223.364 0.657 20 0 BCADRP C[C@@]1(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC[NH2+]C1 ZINC000629670272 361589914 /nfs/dbraw/zinc/58/99/14/361589914.db2.gz ZUUXUFZWKRVONX-MCIONIFRSA-N 2 0 237.391 0.917 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000629672228 361614298 /nfs/dbraw/zinc/61/42/98/361614298.db2.gz OQNZSFJGBMZTPL-NOOOWODRSA-N 3 0 211.353 0.715 20 0 BCADRP CC[NH+]1CCN([C@H](C)C[NH2+]C2CSC2)CC1 ZINC000309979456 491159252 /nfs/dbraw/zinc/15/92/52/491159252.db2.gz VMYGADKTIAVRFX-LLVKDONJSA-N 2 0 243.420 0.717 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CC[C@H](C)[NH3+] ZINC000434689417 201233597 /nfs/dbraw/zinc/23/35/97/201233597.db2.gz WDJLNSOAKUXBQA-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000434710168 201233799 /nfs/dbraw/zinc/23/37/99/201233799.db2.gz XCRQDLYEPBPCLJ-UMNHJUIQSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000434697417 201235074 /nfs/dbraw/zinc/23/50/74/201235074.db2.gz ONEBIJKOORCXIB-SCVCMEIPSA-N 2 0 239.363 0.713 20 0 BCADRP CC[N@H+](CCNC(=O)CC[C@H](C)[NH3+])C(C)C ZINC000434693935 201235200 /nfs/dbraw/zinc/23/52/00/201235200.db2.gz IPNKMSHIIPNHGI-NSHDSACASA-N 2 0 229.368 0.960 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CCC[NH2+][C@H]1C)[NH+](C)C ZINC000434708093 201235704 /nfs/dbraw/zinc/23/57/04/201235704.db2.gz UISCCZSTPGPNRC-SRVKXCTJSA-N 2 0 241.379 0.829 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000154095738 201260273 /nfs/dbraw/zinc/26/02/73/201260273.db2.gz YRKFLYBWUWFRMT-MXWKQRLJSA-N 2 0 225.336 0.337 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000435878570 201291368 /nfs/dbraw/zinc/29/13/68/201291368.db2.gz DBNKWYYMZOCPKY-LBPRGKRZSA-N 2 0 227.352 0.444 20 0 BCADRP [NH3+]C[C@H](O)COc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000629723204 361662442 /nfs/dbraw/zinc/66/24/42/361662442.db2.gz JTKBMNUBWMVMSV-ZDUSSCGKSA-N 2 0 248.326 0.762 20 0 BCADRP [NH3+]CCCCn1cc(C2=CC[NH2+]CC2)cn1 ZINC000629722625 361662504 /nfs/dbraw/zinc/66/25/04/361662504.db2.gz DMNGVDJOXDRKDR-UHFFFAOYSA-N 2 0 220.320 0.999 20 0 BCADRP C[NH2+]CCCN1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000435872712 201291550 /nfs/dbraw/zinc/29/15/50/201291550.db2.gz QEDIVSVOWZNVDU-LBPRGKRZSA-N 2 0 229.368 0.248 20 0 BCADRP [NH3+]C1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000373527131 181343664 /nfs/dbraw/zinc/34/36/64/181343664.db2.gz BKQVYTSNRZSAIV-LLVKDONJSA-N 2 0 225.336 0.468 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000155235095 201309438 /nfs/dbraw/zinc/30/94/38/201309438.db2.gz XGCGMFLQBMKCAB-BBBLOLIVSA-N 2 0 213.325 0.310 20 0 BCADRP CC[C@H]1CN(CCC[NH2+]C)CC[N@@H+]1C[C@@H](C)O ZINC000435872906 201292371 /nfs/dbraw/zinc/29/23/71/201292371.db2.gz SIWSFGHGPQPUMQ-OLZOCXBDSA-N 2 0 243.395 0.373 20 0 BCADRP CCCNC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C)C1 ZINC000435873579 201294032 /nfs/dbraw/zinc/29/40/32/201294032.db2.gz WILVKKAXBFTPQS-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP CCCNC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C)C1 ZINC000435873578 201294155 /nfs/dbraw/zinc/29/41/55/201294155.db2.gz WILVKKAXBFTPQS-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP [NH3+]CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826154 181347293 /nfs/dbraw/zinc/34/72/93/181347293.db2.gz PJAZOOSZWRDLKQ-UHFFFAOYSA-N 2 0 225.336 0.280 20 0 BCADRP C[NH2+]C[C@](C)(O)C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000579482922 366827998 /nfs/dbraw/zinc/82/79/98/366827998.db2.gz KCYMSUUWPPUYEL-MXWKQRLJSA-N 2 0 232.393 0.783 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CCC[NH+](C)C ZINC000627241502 363831730 /nfs/dbraw/zinc/83/17/30/363831730.db2.gz HHVDXVGIQMJYPD-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP [NH3+]CC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000237949403 181347885 /nfs/dbraw/zinc/34/78/85/181347885.db2.gz JKCWTONBHJBJTH-LLVKDONJSA-N 2 0 225.336 0.422 20 0 BCADRP [NH3+]CC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000237954229 181349700 /nfs/dbraw/zinc/34/97/00/181349700.db2.gz VCCRKWLSRAEDPU-LLVKDONJSA-N 2 0 225.336 0.280 20 0 BCADRP [NH3+]CC(=O)N1C[C@H]([NH3+])[C@H](c2ccc(F)cc2)C1 ZINC000364182652 181350162 /nfs/dbraw/zinc/35/01/62/181350162.db2.gz NKRBDNRILTUOIE-QWRGUYRKSA-N 2 0 237.278 0.038 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000627244726 363848382 /nfs/dbraw/zinc/84/83/82/363848382.db2.gz GTNOZCAPTZJRTJ-VPOLOUISSA-N 2 0 240.351 0.129 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C1CC[NH2+]CC1 ZINC000627245831 363849206 /nfs/dbraw/zinc/84/92/06/363849206.db2.gz SIPMTBTZBGIBNX-GXSJLCMTSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000627246118 363849446 /nfs/dbraw/zinc/84/94/46/363849446.db2.gz WICLXEWFNLUMNL-UMNHJUIQSA-N 2 0 240.351 0.117 20 0 BCADRP CC[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000627251797 363877093 /nfs/dbraw/zinc/87/70/93/363877093.db2.gz ALNOITGUUVWRAN-HBNTYKKESA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627251808 363877094 /nfs/dbraw/zinc/87/70/94/363877094.db2.gz APJQYTDMTIKSEQ-GMTAPVOTSA-N 2 0 240.351 0.260 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653111938 541310137 /nfs/dbraw/zinc/31/01/37/541310137.db2.gz HBLHHICKVRLEQO-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000068064428 370737757 /nfs/dbraw/zinc/73/77/57/370737757.db2.gz HTHNFAMSYFZNGB-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CC(C)[C@@H]([NH3+])c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630605007 364323237 /nfs/dbraw/zinc/32/32/37/364323237.db2.gz GGDXRABDYWEFIQ-GXSJLCMTSA-N 2 0 223.324 0.686 20 0 BCADRP CC(C)[C@H]([NH3+])c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630605017 364323667 /nfs/dbraw/zinc/32/36/67/364323667.db2.gz GGDXRABDYWEFIQ-ONGXEEELSA-N 2 0 223.324 0.686 20 0 BCADRP [NH3+]CCCCc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630605334 364323676 /nfs/dbraw/zinc/32/36/76/364323676.db2.gz IFYLZQOWLZRAIH-JTQLQIEISA-N 2 0 223.324 0.312 20 0 BCADRP c1c([C@@H]2CCC[NH2+]C2)nnn1C[C@H]1CCC[NH2+]1 ZINC000630606315 364328665 /nfs/dbraw/zinc/32/86/65/364328665.db2.gz WZFGPIIVZBXBFJ-GHMZBOCLSA-N 2 0 235.335 0.497 20 0 BCADRP CC[C@@](C)([NH3+])c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630604488 364328754 /nfs/dbraw/zinc/32/87/54/364328754.db2.gz ALRSSPWUMSMGEW-MWLCHTKSSA-N 2 0 223.324 0.614 20 0 BCADRP c1c(C[C@H]2CCC[NH2+]C2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000630606375 364330118 /nfs/dbraw/zinc/33/01/18/364330118.db2.gz XZBVVLYJAABMGJ-NEPJUHHUSA-N 2 0 249.362 0.572 20 0 BCADRP c1c(C2CC[NH2+]CC2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000630605485 364335963 /nfs/dbraw/zinc/33/59/63/364335963.db2.gz JJIFJYJVQCMIDA-NSHDSACASA-N 2 0 235.335 0.497 20 0 BCADRP [NH3+]CC1(O)CC[NH+](CCc2cccnc2)CC1 ZINC000071546426 181361926 /nfs/dbraw/zinc/36/19/26/181361926.db2.gz GFEKCSHUZGSYPM-UHFFFAOYSA-N 2 0 235.331 0.410 20 0 BCADRP CCN(CC)Cc1cn(C[C@@H](C)[NH3+])nn1 ZINC000630595051 364308328 /nfs/dbraw/zinc/30/83/28/364308328.db2.gz KJKNRNMVBBXQOC-SECBINFHSA-N 2 0 211.313 0.467 20 0 BCADRP c1c(C[C@H]2CCC[NH2+]C2)nnn1CC1C[NH2+]C1 ZINC000630614714 364346847 /nfs/dbraw/zinc/34/68/47/364346847.db2.gz XYWAAESIEFCGAG-SNVBAGLBSA-N 2 0 235.335 0.040 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000237846200 181366243 /nfs/dbraw/zinc/36/62/43/181366243.db2.gz IMNMDMLEPCCWRN-GFCCVEGCSA-N 2 0 239.363 0.812 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH2+]C ZINC000247103347 364618810 /nfs/dbraw/zinc/61/88/10/364618810.db2.gz KQJBUGZYMYKUAD-KXUCPTDWSA-N 2 0 215.341 0.332 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C[NH2+]CC2CC2)CC[NH2+]1 ZINC000575867460 364569541 /nfs/dbraw/zinc/56/95/41/364569541.db2.gz SKQUAKQRASETLT-ONGXEEELSA-N 2 0 225.336 0.243 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000167476453 364794153 /nfs/dbraw/zinc/79/41/53/364794153.db2.gz LEKYXOVWQBLCON-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1CC[NH2+][C@@H]1CC ZINC000573548334 364857851 /nfs/dbraw/zinc/85/78/51/364857851.db2.gz ZHSWLCMGWCHJCD-GHMZBOCLSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000573566061 364863313 /nfs/dbraw/zinc/86/33/13/364863313.db2.gz VNEPXQKUXGSWNB-KOLCDFICSA-N 2 0 213.325 0.372 20 0 BCADRP CN(C[C@H](O)C[NH2+]C1CC(C)(F)C1)C1CC1 ZINC000573439462 364826172 /nfs/dbraw/zinc/82/61/72/364826172.db2.gz SMOPVBPZPNMCFN-CKBZRRDASA-N 2 0 230.327 0.922 20 0 BCADRP C[C@@H](NC(=O)c1coc(C[NH3+])c1)[C@H](C)[NH3+] ZINC000573444107 364833576 /nfs/dbraw/zinc/83/35/76/364833576.db2.gz HWYIPMINNZHFRO-NKWVEPMBSA-N 2 0 211.265 0.204 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000573441978 364833794 /nfs/dbraw/zinc/83/37/94/364833794.db2.gz QPWHTGBBKNVUBB-QWRGUYRKSA-N 2 0 227.352 0.476 20 0 BCADRP O=C([C@H]1CCCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000573446125 364835325 /nfs/dbraw/zinc/83/53/25/364835325.db2.gz PLJOUUNFVCMIHV-GRYCIOLGSA-N 2 0 237.347 0.339 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@H](CC[NH3+])C(F)F ZINC000573487688 364845477 /nfs/dbraw/zinc/84/54/77/364845477.db2.gz JJTAVLNWGGFWTB-GMSGAONNSA-N 2 0 237.294 0.603 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000573605907 364872227 /nfs/dbraw/zinc/87/22/27/364872227.db2.gz NROTVJWGRBJUCX-QWRGUYRKSA-N 2 0 227.352 0.429 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000573605906 364872367 /nfs/dbraw/zinc/87/23/67/364872367.db2.gz NROTVJWGRBJUCX-MNOVXSKESA-N 2 0 227.352 0.429 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NC2CC[NH2+]CC2)C1 ZINC000573604776 364872658 /nfs/dbraw/zinc/87/26/58/364872658.db2.gz BNLLXQGTAVIOTC-NXEZZACHSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]CCCC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000375956579 181372351 /nfs/dbraw/zinc/37/23/51/181372351.db2.gz CZYRDFWMOGPTSD-ZDUSSCGKSA-N 2 0 247.342 0.729 20 0 BCADRP [NH3+]CCCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037485363 181372368 /nfs/dbraw/zinc/37/23/68/181372368.db2.gz RXAIDZYMHCQLQK-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000573681744 364890778 /nfs/dbraw/zinc/89/07/78/364890778.db2.gz UFFMNWUGSQQHEO-GHMZBOCLSA-N 2 0 227.352 0.476 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000573799727 364912504 /nfs/dbraw/zinc/91/25/04/364912504.db2.gz AECFYQOWLHBCSW-VGMNWLOBSA-N 2 0 216.329 0.149 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000573701485 364897960 /nfs/dbraw/zinc/89/79/60/364897960.db2.gz WYXFDEJDUZEBOE-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP [NH3+]CCCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037485364 181372755 /nfs/dbraw/zinc/37/27/55/181372755.db2.gz RXAIDZYMHCQLQK-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]CCCCCCC(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368378958 181373522 /nfs/dbraw/zinc/37/35/22/181373522.db2.gz SPBIHMDHYNCGDG-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]CCCCNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000364164715 181376558 /nfs/dbraw/zinc/37/65/58/181376558.db2.gz BPLRWEJTBGXBRX-UHFFFAOYSA-N 2 0 247.342 0.338 20 0 BCADRP CC(C)[NH2+]CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000574055335 364980063 /nfs/dbraw/zinc/98/00/63/364980063.db2.gz UXOMEUMMNAUBPP-UHFFFAOYSA-N 2 0 235.331 0.760 20 0 BCADRP [NH3+]CCC[N@H+](CCOCC[NH3+])CC1CCCC1 ZINC000357080004 181379903 /nfs/dbraw/zinc/37/99/03/181379903.db2.gz DZWMYGNVWMPDAD-UHFFFAOYSA-N 3 0 243.395 0.803 20 0 BCADRP C[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000574172772 365004394 /nfs/dbraw/zinc/00/43/94/365004394.db2.gz WAQIBYQTTWXAHI-BBBLOLIVSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000574219092 365013135 /nfs/dbraw/zinc/01/31/35/365013135.db2.gz NFCODETUVVFJGK-IJLUTSLNSA-N 3 0 211.353 0.846 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250831488 181381797 /nfs/dbraw/zinc/38/17/97/181381797.db2.gz JGWLQEKUGGQHRC-MXWKQRLJSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)CC1(C[NH3+])CC1 ZINC000574398209 365052656 /nfs/dbraw/zinc/05/26/56/365052656.db2.gz USKBZQXQEROBSZ-SECBINFHSA-N 2 0 213.325 0.087 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@H]([NH3+])CC(F)F)C1CC1 ZINC000574400212 365054062 /nfs/dbraw/zinc/05/40/62/365054062.db2.gz CMMFHMRAKLLTIJ-GMSGAONNSA-N 2 0 235.278 0.213 20 0 BCADRP [NH3+]C1(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)CCCCC1 ZINC000574426523 365059948 /nfs/dbraw/zinc/05/99/48/365059948.db2.gz LYKMVLZJQKTXFS-MFKMUULPSA-N 2 0 237.347 0.516 20 0 BCADRP Cc1cnn(CC[NH2+]CC2([NH3+])CCC2)c1 ZINC000574277497 365026252 /nfs/dbraw/zinc/02/62/52/365026252.db2.gz JBPGLVKTLZWEJE-UHFFFAOYSA-N 2 0 208.309 0.663 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574284209 365028927 /nfs/dbraw/zinc/02/89/27/365028927.db2.gz PGNSQXUNFJHCHB-TUAOUCFPSA-N 2 0 214.353 0.935 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000574320886 365036010 /nfs/dbraw/zinc/03/60/10/365036010.db2.gz LIRXFRRWMJVTBJ-RYUDHWBXSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(F)F)C[C@@H](C)[NH2+]1 ZINC000574319237 365036320 /nfs/dbraw/zinc/03/63/20/365036320.db2.gz PWDVMNDEUGLTJW-PRJMDXOYSA-N 2 0 235.278 0.178 20 0 BCADRP C[C@@H]1C[C@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433128657 192985335 /nfs/dbraw/zinc/98/53/35/192985335.db2.gz BIPCQPGICMGBOV-ZYHUDNBSSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]CCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000042327240 181393131 /nfs/dbraw/zinc/39/31/31/181393131.db2.gz ARAQXVXHFONZBE-UHFFFAOYSA-N 2 0 247.342 0.383 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000574548561 365087623 /nfs/dbraw/zinc/08/76/23/365087623.db2.gz IRGFKGPGWIYIHH-WDEREUQCSA-N 2 0 227.352 0.490 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000574573363 365088050 /nfs/dbraw/zinc/08/80/50/365088050.db2.gz KGXSSKVVWLCBJY-IUCAKERBSA-N 2 0 247.289 0.322 20 0 BCADRP COC[C@@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000574566840 365090292 /nfs/dbraw/zinc/09/02/92/365090292.db2.gz UXGVJSWWTNNXSY-LBPRGKRZSA-N 2 0 244.379 0.705 20 0 BCADRP CC(C)=CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000574566806 365090426 /nfs/dbraw/zinc/09/04/26/365090426.db2.gz UALQDHGRBCODDE-ZDUSSCGKSA-N 2 0 241.379 0.151 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000574634948 365107054 /nfs/dbraw/zinc/10/70/54/365107054.db2.gz HKDCFTAJCZMERQ-LPEHRKFASA-N 2 0 230.356 0.395 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000574873422 365163548 /nfs/dbraw/zinc/16/35/48/365163548.db2.gz QTOZTPQYRMDMHK-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000574803351 365144313 /nfs/dbraw/zinc/14/43/13/365144313.db2.gz UTASJSQOQPVAFQ-IRCOFANPSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000574809822 365145354 /nfs/dbraw/zinc/14/53/54/365145354.db2.gz SZNVAEKCIAXJFI-WPRPVWTQSA-N 2 0 213.325 0.310 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000575173564 365226685 /nfs/dbraw/zinc/22/66/85/365226685.db2.gz BOPZJXMEFIINHB-YFKTTZPYSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000575122303 365210807 /nfs/dbraw/zinc/21/08/07/365210807.db2.gz HJGOEWHYVPCDTA-GHMZBOCLSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000575121392 365210836 /nfs/dbraw/zinc/21/08/36/365210836.db2.gz NUNRXACEZRCPJP-GARJFASQSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000575121824 365210945 /nfs/dbraw/zinc/21/09/45/365210945.db2.gz IRTYJMCEVKKRNJ-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CC[NH2+]1 ZINC000444177010 193040233 /nfs/dbraw/zinc/04/02/33/193040233.db2.gz SBCWHPPFBJVITQ-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP O=C(NCC[NH+]1CCCC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444167462 193040341 /nfs/dbraw/zinc/04/03/41/193040341.db2.gz LPHDRAPAWSMLGR-DGCLKSJQSA-N 2 0 237.347 0.198 20 0 BCADRP C[C@H](CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)[NH+](C)C ZINC000444187707 193041370 /nfs/dbraw/zinc/04/13/70/193041370.db2.gz SMKRKEOIYDMDMR-CKYFFXLPSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000444272912 193042616 /nfs/dbraw/zinc/04/26/16/193042616.db2.gz ZCZBUHDNPPXZER-NQBHXWOUSA-N 2 0 239.363 0.762 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000444260798 193042625 /nfs/dbraw/zinc/04/26/25/193042625.db2.gz UEYRPIHKNYUHPA-GHMZBOCLSA-N 2 0 225.336 0.387 20 0 BCADRP [NH3+][C@H](C(=O)NCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000444260369 193042793 /nfs/dbraw/zinc/04/27/93/193042793.db2.gz RSFLKXBCOLJDHF-OLZOCXBDSA-N 2 0 247.342 0.945 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH2+]2)C[C@@H]1C ZINC000444274059 193043289 /nfs/dbraw/zinc/04/32/89/193043289.db2.gz WYRNVDRZXWGVRK-SDDRHHMPSA-N 2 0 239.363 0.680 20 0 BCADRP CC[C@]1(C(=O)NCC[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000444271152 193044000 /nfs/dbraw/zinc/04/40/00/193044000.db2.gz XEUQEHDIMHECRI-DGCLKSJQSA-N 2 0 239.363 0.777 20 0 BCADRP C[C@@]1(C(=O)NCC[C@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000444264091 193044138 /nfs/dbraw/zinc/04/41/38/193044138.db2.gz ILASMCWOZKKHAU-DGCLKSJQSA-N 2 0 239.363 0.634 20 0 BCADRP CC[NH+](CC)CCC[N@H+](C)CCC(=O)NC ZINC000171940718 365256532 /nfs/dbraw/zinc/25/65/32/365256532.db2.gz YHXQEQIAOIPWSX-UHFFFAOYSA-N 2 0 229.368 0.786 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CCCC[NH3+] ZINC000379829704 365285013 /nfs/dbraw/zinc/28/50/13/365285013.db2.gz ZMDQRCGVBODRPW-VIFPVBQESA-N 2 0 201.314 0.215 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000575744812 365349228 /nfs/dbraw/zinc/34/92/28/365349228.db2.gz AFEOIPRJUHGUJP-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)c1ccc(C[NH3+])cc1 ZINC000575922334 365414874 /nfs/dbraw/zinc/41/48/74/365414874.db2.gz SPRZRQRXFMGVIL-NSHDSACASA-N 2 0 221.304 0.612 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC1([NH3+])CCCCCC1 ZINC000575934369 365420721 /nfs/dbraw/zinc/42/07/21/365420721.db2.gz LIWSHGOTRZGDFO-JTQLQIEISA-N 2 0 227.352 0.762 20 0 BCADRP C[C@](C[NH3+])(NC(=O)CC[NH2+]C1CC1)C1CC1 ZINC000575881385 365403754 /nfs/dbraw/zinc/40/37/54/365403754.db2.gz PKTWLHNURNXAQL-GFCCVEGCSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000579590403 366894277 /nfs/dbraw/zinc/89/42/77/366894277.db2.gz DYMBZSJMTSKINK-YWVKMMECSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000579590401 366894284 /nfs/dbraw/zinc/89/42/84/366894284.db2.gz DYMBZSJMTSKINK-QXEWZRGKSA-N 2 0 225.336 0.323 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000576106764 365488953 /nfs/dbraw/zinc/48/89/53/365488953.db2.gz LCQIKESMZZJJOL-AEJSXWLSSA-N 2 0 213.325 0.167 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000576134428 365497732 /nfs/dbraw/zinc/49/77/32/365497732.db2.gz CHYROCVPOPYMJS-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000564567141 325795856 /nfs/dbraw/zinc/79/58/56/325795856.db2.gz LQUPHQPCZVVPIZ-QXEWZRGKSA-N 2 0 225.336 0.241 20 0 BCADRP CC[NH2+]CCCN[C@H]1CC[N@H+](CCOC)C1 ZINC000579701417 366982566 /nfs/dbraw/zinc/98/25/66/366982566.db2.gz ZWOHCTQXNPRPIG-LBPRGKRZSA-N 2 0 229.368 0.296 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183313687 367013603 /nfs/dbraw/zinc/01/36/03/367013603.db2.gz AXRAXGUTAIGODW-JTQLQIEISA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)C1(C[NH3+])CCCC1 ZINC000579836823 367039217 /nfs/dbraw/zinc/03/92/17/367039217.db2.gz WTIIKFWXZLHISS-RKDXNWHRSA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000579853027 367052013 /nfs/dbraw/zinc/05/20/13/367052013.db2.gz ABIUYGZFXROWPX-MNOVXSKESA-N 2 0 225.336 0.276 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000579859406 367056128 /nfs/dbraw/zinc/05/61/28/367056128.db2.gz QSFFTLOYYNAMJF-WDEREUQCSA-N 2 0 227.352 0.348 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC000579950094 367097428 /nfs/dbraw/zinc/09/74/28/367097428.db2.gz SJCOTYNLYBAWJV-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000580828392 367178287 /nfs/dbraw/zinc/17/82/87/367178287.db2.gz NPRAKCXFCXYDQK-MXWKQRLJSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193639589 367197288 /nfs/dbraw/zinc/19/72/88/367197288.db2.gz VIGAVRSTMWGFPW-NXEZZACHSA-N 2 0 213.325 0.243 20 0 BCADRP CC(C)([NH3+])CNC(=O)c1ccc(C[NH3+])cc1 ZINC000580891934 367199055 /nfs/dbraw/zinc/19/90/55/367199055.db2.gz SFTPCZVPZYGGDU-UHFFFAOYSA-N 2 0 221.304 0.612 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000580941857 367210913 /nfs/dbraw/zinc/21/09/13/367210913.db2.gz DNHRBKRKFALMLI-UTUOFQBUSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000381020735 367335456 /nfs/dbraw/zinc/33/54/56/367335456.db2.gz AARLSWOBZTYJOW-NXEZZACHSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000381041912 367340550 /nfs/dbraw/zinc/34/05/50/367340550.db2.gz CMCQINZKQYKEKB-ONGXEEELSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000581190574 367289470 /nfs/dbraw/zinc/28/94/70/367289470.db2.gz UETIUSOOMOBYNJ-UWVGGRQHSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000581190842 367290118 /nfs/dbraw/zinc/29/01/18/367290118.db2.gz ZUNQQONBVPKIET-IQJOONFLSA-N 2 0 213.325 0.025 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C1 ZINC000581251917 367309365 /nfs/dbraw/zinc/30/93/65/367309365.db2.gz FMLJVTNUXOZILC-WCABBAIRSA-N 2 0 223.320 0.077 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@@H](C[NH3+])C1)[C@H](C)[NH3+] ZINC000381344955 367384239 /nfs/dbraw/zinc/38/42/39/367384239.db2.gz YSHSBUHSPAGXMU-UTLUCORTSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C[C@@H]1CCC[NH2+]C1 ZINC000381362838 367387294 /nfs/dbraw/zinc/38/72/94/367387294.db2.gz FKLMBQMSAHWEDL-IJLUTSLNSA-N 3 0 211.353 0.655 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000381402221 367395445 /nfs/dbraw/zinc/39/54/45/367395445.db2.gz AQNJOSFHVIKVOM-BBBLOLIVSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000381436836 367403443 /nfs/dbraw/zinc/40/34/43/367403443.db2.gz YEDOIODSXKEILO-GUBZILKMSA-N 2 0 213.325 0.310 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000381494944 367419527 /nfs/dbraw/zinc/41/95/27/367419527.db2.gz BMEPKARAOJWLDY-LPEHRKFASA-N 2 0 213.325 0.084 20 0 BCADRP [NH3+]C1(C[NH2+]CCC2CC[NH2+]CC2)CCC1 ZINC000381229118 367367380 /nfs/dbraw/zinc/36/73/80/367367380.db2.gz KMLHYTHSOBSWTQ-UHFFFAOYSA-N 3 0 211.353 0.847 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H](C)CCCC[NH3+] ZINC000381245225 367371025 /nfs/dbraw/zinc/37/10/25/367371025.db2.gz OBPDRWGIWVFPHB-UWVGGRQHSA-N 2 0 215.341 0.748 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000581429123 367466783 /nfs/dbraw/zinc/46/67/83/367466783.db2.gz XFTRHEGLNVMKBC-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000381604027 367436175 /nfs/dbraw/zinc/43/61/75/367436175.db2.gz OMKKCQDKAHDKBV-UWVGGRQHSA-N 2 0 213.325 0.230 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000381626479 367440722 /nfs/dbraw/zinc/44/07/22/367440722.db2.gz LEWBMYREARDMCS-UWVGGRQHSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000381719315 367450083 /nfs/dbraw/zinc/45/00/83/367450083.db2.gz LPLSZOFANWJADE-TUAOUCFPSA-N 2 0 211.353 0.655 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000381712137 367450595 /nfs/dbraw/zinc/45/05/95/367450595.db2.gz KLHWWMNGHHVGFE-KOLCDFICSA-N 2 0 213.325 0.324 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000382547442 367535844 /nfs/dbraw/zinc/53/58/44/367535844.db2.gz GHFLPXKSNIVANU-GRYCIOLGSA-N 2 0 230.352 0.491 20 0 BCADRP CN(C)c1ncc(C[NH2+]CCCF)n1C ZINC000382359870 367510528 /nfs/dbraw/zinc/51/05/28/367510528.db2.gz MXJOLWDCLQEXGA-UHFFFAOYSA-N 2 0 214.288 0.935 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000382947527 367571805 /nfs/dbraw/zinc/57/18/05/367571805.db2.gz KQBMASGEOURQDY-JTQLQIEISA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+]CCCC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000581549388 367578327 /nfs/dbraw/zinc/57/83/27/367578327.db2.gz OLIZMXHMYILURA-NSHDSACASA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000581547725 367575063 /nfs/dbraw/zinc/57/50/63/367575063.db2.gz SWVFLCPDGMCZAQ-LBPRGKRZSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCC[NH+]1CCCC1 ZINC000383123590 367598482 /nfs/dbraw/zinc/59/84/82/367598482.db2.gz HCBWIPXDXHRKJL-JTQLQIEISA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)[N@H+](C)C1CC1 ZINC000383302655 367611835 /nfs/dbraw/zinc/61/18/35/367611835.db2.gz HSQSWZAJXNQQNB-NXEZZACHSA-N 2 0 239.363 0.726 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN(C)Cc1nccn1C ZINC000383661655 367647863 /nfs/dbraw/zinc/64/78/63/367647863.db2.gz GLAVJXNWZCYLAU-NSHDSACASA-N 2 0 240.351 0.165 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1CCCCC[NH2+]1 ZINC000581656771 367656697 /nfs/dbraw/zinc/65/66/97/367656697.db2.gz OASMDJZDDHRBBN-VXGBXAGGSA-N 2 0 239.363 0.777 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000581666240 367665387 /nfs/dbraw/zinc/66/53/87/367665387.db2.gz JLDMNQORFYBXNT-NTZNESFSSA-N 2 0 237.347 0.244 20 0 BCADRP Cn1cncc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000384223621 367675991 /nfs/dbraw/zinc/67/59/91/367675991.db2.gz DVLHTJFKVFYWEY-ZJUUUORDSA-N 2 0 208.309 0.780 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CC[NH2+]1 ZINC000384765029 367728545 /nfs/dbraw/zinc/72/85/45/367728545.db2.gz AVOYRUFXLHWAIY-LLVKDONJSA-N 2 0 227.352 0.395 20 0 BCADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH2+]1 ZINC000384827396 367737960 /nfs/dbraw/zinc/73/79/60/367737960.db2.gz XXKUXBKNQAIFNO-CYBMUJFWSA-N 2 0 247.342 0.726 20 0 BCADRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000384838414 367739751 /nfs/dbraw/zinc/73/97/51/367739751.db2.gz RDHXDUXEUCMUJA-IJLUTSLNSA-N 2 0 237.347 0.434 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000364498520 181433296 /nfs/dbraw/zinc/43/32/96/181433296.db2.gz XHJODOOQSGZXNI-QWRGUYRKSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000581727326 367792257 /nfs/dbraw/zinc/79/22/57/367792257.db2.gz ZSUTXHLMYDPZEL-KXUCPTDWSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CCCC[NH3+] ZINC000566200561 326011535 /nfs/dbraw/zinc/01/15/35/326011535.db2.gz SMOYZAPZDNRVCK-LLVKDONJSA-N 2 0 229.368 0.947 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000566200926 326011810 /nfs/dbraw/zinc/01/18/10/326011810.db2.gz KLGKOAJXDZQGJD-MXWKQRLJSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000566200465 326011824 /nfs/dbraw/zinc/01/18/24/326011824.db2.gz WGVXFYTVSMJUBL-IUCAKERBSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CC[NH2+]CC1 ZINC000566204390 326012314 /nfs/dbraw/zinc/01/23/14/326012314.db2.gz WIRJLUAHBKAYHX-ONGXEEELSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@]1(CNC[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000581824320 367832011 /nfs/dbraw/zinc/83/20/11/367832011.db2.gz FZTCDCOJBNNTEV-NEPJUHHUSA-N 2 0 211.353 0.575 20 0 BCADRP C[C@@]1(CNC[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000581824321 367832090 /nfs/dbraw/zinc/83/20/90/367832090.db2.gz FZTCDCOJBNNTEV-NWDGAFQWSA-N 2 0 211.353 0.575 20 0 BCADRP C[C@@H]([NH2+]C[C@H](C)CO)[C@H]1CCCC[NH2+]1 ZINC000386147028 367920475 /nfs/dbraw/zinc/92/04/75/367920475.db2.gz RJZUTYJOTLWZQX-HBNTYKKESA-N 2 0 200.326 0.735 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000566230010 326019244 /nfs/dbraw/zinc/01/92/44/326019244.db2.gz ZKKSDSITNACWSQ-NEPJUHHUSA-N 3 0 211.353 0.703 20 0 BCADRP C[C@@H]([NH2+]CCCOCCO)[C@@H]1CCCC[NH2+]1 ZINC000386593676 367998929 /nfs/dbraw/zinc/99/89/29/367998929.db2.gz SEIYIXRUYGGASN-NEPJUHHUSA-N 2 0 230.352 0.506 20 0 BCADRP C[C@H](O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000386891219 368031248 /nfs/dbraw/zinc/03/12/48/368031248.db2.gz KFSJDJQZKRXYSL-QUDJTUOCSA-N 2 0 212.337 0.971 20 0 BCADRP CCCN(C(=O)[C@@H]1CC[NH2+][C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000581992768 368075867 /nfs/dbraw/zinc/07/58/67/368075867.db2.gz WAQXEMDPZBVNDF-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[NH+](C)C ZINC000387410278 368172258 /nfs/dbraw/zinc/17/22/58/368172258.db2.gz CNKOZLPXZDMXEK-JTQLQIEISA-N 2 0 229.368 0.688 20 0 BCADRP C[NH+](C)CCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000446619467 201689658 /nfs/dbraw/zinc/68/96/58/201689658.db2.gz GCOCRDMWCXXKGQ-UHFFFAOYSA-N 2 0 242.367 0.332 20 0 BCADRP C[C@@]1(C(=O)NCC2=CC[NH2+]CC2)CC[NH2+]C1 ZINC000566556800 326063657 /nfs/dbraw/zinc/06/36/57/326063657.db2.gz CPJZRTDVJYSMOE-GFCCVEGCSA-N 2 0 223.320 0.022 20 0 BCADRP C[C@]1(CN2CCCO[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000566916176 326094153 /nfs/dbraw/zinc/09/41/53/326094153.db2.gz VQSIQGBPMGHIHC-RYUDHWBXSA-N 2 0 227.352 0.036 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000081018357 368567185 /nfs/dbraw/zinc/56/71/85/368567185.db2.gz NNMNZVFICDLCNR-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP [NH3+]C1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000082259252 368661974 /nfs/dbraw/zinc/66/19/74/368661974.db2.gz HZGOJJKBUZPAGD-SNVBAGLBSA-N 2 0 211.309 0.078 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000067573378 368692141 /nfs/dbraw/zinc/69/21/41/368692141.db2.gz WOKNGTQMPOFEFM-LBPRGKRZSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000457203880 203019055 /nfs/dbraw/zinc/01/90/55/203019055.db2.gz IZKUZVZCTOYTIG-SNVBAGLBSA-N 2 0 227.352 0.537 20 0 BCADRP O[C@@H](C[NH2+]CC1(O)CCCC1)C[NH+]1CCCC1 ZINC000087028960 368887914 /nfs/dbraw/zinc/88/79/14/368887914.db2.gz CYCOPGUJKRPPNP-LBPRGKRZSA-N 2 0 242.363 0.338 20 0 BCADRP C[C@H]1OCC[C@H]1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000631822177 368975913 /nfs/dbraw/zinc/97/59/13/368975913.db2.gz VGJRWNVWSBZPBZ-OLZOCXBDSA-N 2 0 241.379 0.248 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCO[C@@H]1C ZINC000631830675 369009078 /nfs/dbraw/zinc/00/90/78/369009078.db2.gz YRLHLTNPCAAXGM-VXGBXAGGSA-N 2 0 230.352 0.579 20 0 BCADRP [NH3+][C@H]1CCCCCN(C[C@@H]2CCc3ncnn32)C1 ZINC000631835436 369043683 /nfs/dbraw/zinc/04/36/83/369043683.db2.gz UUSKAIQIAMKSBK-RYUDHWBXSA-N 2 0 249.362 0.969 20 0 BCADRP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)CN1C1CC1 ZINC000623663149 369081314 /nfs/dbraw/zinc/08/13/14/369081314.db2.gz ZKZTXFYIMIXBMM-XWLWVQCSSA-N 2 0 237.347 0.465 20 0 BCADRP Cc1cc(CN2C[C@@H](C[NH3+])[C@H](C)C2)nn1C ZINC000631837399 369098448 /nfs/dbraw/zinc/09/84/48/369098448.db2.gz SASAHORIOYASRZ-MWLCHTKSSA-N 2 0 222.336 0.755 20 0 BCADRP Cc1cc(CN2C[C@H](C)[C@H](C[NH3+])C2)nn1C ZINC000631837397 369098641 /nfs/dbraw/zinc/09/86/41/369098641.db2.gz SASAHORIOYASRZ-GXSJLCMTSA-N 2 0 222.336 0.755 20 0 BCADRP COC[C@H](C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)OC ZINC000631837420 369098710 /nfs/dbraw/zinc/09/87/10/369098710.db2.gz SBEHLQKRGJHXPM-MXWKQRLJSA-N 2 0 216.325 0.174 20 0 BCADRP C[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1C[NH3+] ZINC000631838752 369122348 /nfs/dbraw/zinc/12/23/48/369122348.db2.gz URHHMFYEYQPMDK-RKDXNWHRSA-N 2 0 222.279 0.795 20 0 BCADRP COC[C@H](O)C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000567464505 326197340 /nfs/dbraw/zinc/19/73/40/326197340.db2.gz WBRWSDDJMHZKDY-VXGBXAGGSA-N 2 0 246.395 0.950 20 0 BCADRP CO[C@H](C[NH3+])c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000567587644 326223505 /nfs/dbraw/zinc/22/35/05/326223505.db2.gz ZCTJYMPAWZZEKA-HTQZYQBOSA-N 2 0 228.296 0.762 20 0 BCADRP C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000567639373 326237005 /nfs/dbraw/zinc/23/70/05/326237005.db2.gz KIDQBSYASNLQLX-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@H]1CCC[C@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000567673231 326242761 /nfs/dbraw/zinc/24/27/61/326242761.db2.gz HVZWPIKUBGHEHQ-IUCAKERBSA-N 2 0 211.309 0.111 20 0 BCADRP COC[C@@H](O)C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000567683669 326244931 /nfs/dbraw/zinc/24/49/31/326244931.db2.gz UTCFRUGCHXGKIO-SRVKXCTJSA-N 2 0 230.352 0.456 20 0 BCADRP COC(=O)CCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404884846 369438423 /nfs/dbraw/zinc/43/84/23/369438423.db2.gz IBABPHHLROQWJX-DTWKUNHWSA-N 2 0 214.309 0.655 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404906488 369438864 /nfs/dbraw/zinc/43/88/64/369438864.db2.gz YWVTWGVTKLUCJW-SRVKXCTJSA-N 2 0 241.379 0.912 20 0 BCADRP C[NH2+]CCCC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000567811710 326261625 /nfs/dbraw/zinc/26/16/25/326261625.db2.gz AZPLPOHBHYXZFP-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)CC[N@@H+]1C ZINC000405427174 369459767 /nfs/dbraw/zinc/45/97/67/369459767.db2.gz HWZJCMGKDWSAPI-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]1C[C@@H](N)C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000631860636 369469410 /nfs/dbraw/zinc/46/94/10/369469410.db2.gz METXSZUEZBNWDP-IJLUTSLNSA-N 2 0 211.353 0.798 20 0 BCADRP CCN(C)C(=O)CCN1C[C@H]([NH3+])C[C@H]1C ZINC000631861973 369475000 /nfs/dbraw/zinc/47/50/00/369475000.db2.gz KGSUWZQXJCPKAQ-NXEZZACHSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000567848559 326269717 /nfs/dbraw/zinc/26/97/17/326269717.db2.gz MMMFPABQLKEIDL-GMTAPVOTSA-N 2 0 227.352 0.748 20 0 BCADRP CCOC[C@H](C)[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000166114859 203387220 /nfs/dbraw/zinc/38/72/20/203387220.db2.gz GVIYNMUVACIDAX-SDDRHHMPSA-N 2 0 230.352 0.768 20 0 BCADRP C[C@@H](C[C@H]1COCCN1)[NH2+][C@@H](C)CN(C)C ZINC000166145925 203388102 /nfs/dbraw/zinc/38/81/02/203388102.db2.gz YKQNCPOUCVIHFJ-SRVKXCTJSA-N 2 0 229.368 0.293 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCC)C1 ZINC000619898833 369629989 /nfs/dbraw/zinc/62/99/89/369629989.db2.gz LSLGPJQONQFTNR-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC000619901672 369631883 /nfs/dbraw/zinc/63/18/83/369631883.db2.gz XGBHHELPFGSVME-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000619900443 369632445 /nfs/dbraw/zinc/63/24/45/369632445.db2.gz VLNPZGXKIYKILX-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+](C)C)C1 ZINC000619900547 369632753 /nfs/dbraw/zinc/63/27/53/369632753.db2.gz CZJWKRZOUSRXSN-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000568050856 326300459 /nfs/dbraw/zinc/30/04/59/326300459.db2.gz JTCFBRMOEVCEHP-NEPJUHHUSA-N 2 0 214.353 0.935 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CO)[C@H]1C ZINC000568181186 326321729 /nfs/dbraw/zinc/32/17/29/326321729.db2.gz MZCXNXPJVVAYNQ-AGIUHOORSA-N 2 0 244.379 0.392 20 0 BCADRP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H](C)[NH2+]1 ZINC000620904524 370052257 /nfs/dbraw/zinc/05/22/57/370052257.db2.gz PGMXOKNWDBLGSO-NWDGAFQWSA-N 2 0 241.379 0.926 20 0 BCADRP CC(C)[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[NH2+]1 ZINC000621152217 370125635 /nfs/dbraw/zinc/12/56/35/370125635.db2.gz RWBQBMLYIRLPTG-LBPRGKRZSA-N 2 0 241.379 0.783 20 0 BCADRP CC(C)[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC[NH2+]1 ZINC000621152892 370125872 /nfs/dbraw/zinc/12/58/72/370125872.db2.gz GZOMLWGFISPBMJ-RYUDHWBXSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC[NH2+]1 ZINC000621152893 370125941 /nfs/dbraw/zinc/12/59/41/370125941.db2.gz GZOMLWGFISPBMJ-VXGBXAGGSA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@@H](C(=O)N1CC[NH2+][C@@H](C(C)C)C1)[NH+](C)C ZINC000621155837 370128854 /nfs/dbraw/zinc/12/88/54/370128854.db2.gz MZSWCCZLCWUSTN-NEPJUHHUSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252881804 370138338 /nfs/dbraw/zinc/13/83/38/370138338.db2.gz YZAWMINZWHBKMT-YFKTTZPYSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1C[NH2+]C1 ZINC000253176744 370155908 /nfs/dbraw/zinc/15/59/08/370155908.db2.gz QAKWGDWYLJOSCB-PWSUYJOCSA-N 2 0 237.347 0.149 20 0 BCADRP COCCSCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309650901 370239667 /nfs/dbraw/zinc/23/96/67/370239667.db2.gz OBHSSZZIRAGXCK-VXGBXAGGSA-N 2 0 244.404 0.907 20 0 BCADRP COCCSCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309650899 370239930 /nfs/dbraw/zinc/23/99/30/370239930.db2.gz OBHSSZZIRAGXCK-TXEJJXNPSA-N 2 0 244.404 0.907 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000309831906 370265521 /nfs/dbraw/zinc/26/55/21/370265521.db2.gz YSSRKLMYRRIFJL-DTWKUNHWSA-N 2 0 233.381 0.166 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621670462 370420850 /nfs/dbraw/zinc/42/08/50/370420850.db2.gz ODXOZLFKHLAYDN-GHMZBOCLSA-N 2 0 227.352 0.490 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621679371 370429400 /nfs/dbraw/zinc/42/94/00/370429400.db2.gz KBVNFCWCUSDASW-JQWIXIFHSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)CC[NH2+]C1CC1)C2 ZINC000621681826 370429890 /nfs/dbraw/zinc/42/98/90/370429890.db2.gz XDXMYMCQPLKSBY-GWCFXTLKSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621683159 370432855 /nfs/dbraw/zinc/43/28/55/370432855.db2.gz QUVXXPXLCZOWIL-QFOLPQNPSA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+]CCCCC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684337 370433561 /nfs/dbraw/zinc/43/35/61/370433561.db2.gz KUASPLYBKCRLGV-PWSUYJOCSA-N 2 0 225.336 0.455 20 0 BCADRP [NH3+]CCCC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684157 370433843 /nfs/dbraw/zinc/43/38/43/370433843.db2.gz IIOHPCRTMBFFKK-GXSJLCMTSA-N 2 0 211.309 0.065 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000621620197 370405619 /nfs/dbraw/zinc/40/56/19/370405619.db2.gz VCZQZNNUGRCBLB-RYUDHWBXSA-N 2 0 239.363 0.634 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621620099 370405645 /nfs/dbraw/zinc/40/56/45/370405645.db2.gz QRUAKBYQVDENKI-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621622728 370407843 /nfs/dbraw/zinc/40/78/43/370407843.db2.gz LINHPCOILPUINH-NWDGAFQWSA-N 2 0 241.379 0.866 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684504 370434695 /nfs/dbraw/zinc/43/46/95/370434695.db2.gz NIMLWGATBSDWNQ-SOCHQFKDSA-N 2 0 247.289 0.309 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684483 370434789 /nfs/dbraw/zinc/43/47/89/370434789.db2.gz NCXARTRULDICJQ-CWSCBRNRSA-N 2 0 239.363 0.700 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684788 370434833 /nfs/dbraw/zinc/43/48/33/370434833.db2.gz SMLVEPWUAQUNRP-JBLDHEPKSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]C1(CC(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC000621684908 370434839 /nfs/dbraw/zinc/43/48/39/370434839.db2.gz VLDMQEXITMBGEZ-GWCFXTLKSA-N 2 0 237.347 0.598 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684787 370434879 /nfs/dbraw/zinc/43/48/79/370434879.db2.gz SMLVEPWUAQUNRP-HOSYDEDBSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+][C@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000621652794 370413402 /nfs/dbraw/zinc/41/34/02/370413402.db2.gz GQEONJZNUXZKST-CMPLNLGQSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[NH2+]C1)C2 ZINC000621684810 370435058 /nfs/dbraw/zinc/43/50/58/370435058.db2.gz SSXKAHZAPFIOHR-GVXVVHGQSA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[C@H]3C[C@H]3[NH2+]1)C2 ZINC000621698609 370445173 /nfs/dbraw/zinc/44/51/73/370445173.db2.gz BPIMCHZCNDXRPD-YFVNTRNASA-N 2 0 235.331 0.077 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621699908 370446260 /nfs/dbraw/zinc/44/62/60/370446260.db2.gz DQQONNJXVVISQZ-GMOBBJLQSA-N 2 0 223.320 0.064 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000621703380 370451219 /nfs/dbraw/zinc/45/12/19/370451219.db2.gz PUOZOJKORJNJNT-ZETCQYMHSA-N 2 0 240.307 0.336 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621686663 370436669 /nfs/dbraw/zinc/43/66/69/370436669.db2.gz WSBYPNBNJHLYFG-WCFLWFBJSA-N 2 0 239.363 0.844 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621690156 370439315 /nfs/dbraw/zinc/43/93/15/370439315.db2.gz QFQRTKJRZCUBLI-YPMHNXCESA-N 2 0 239.363 0.668 20 0 BCADRP CCn1cc(CC[N@@H+]2CC[C@H](C[NH2+]C)C2)cn1 ZINC000621774310 370520135 /nfs/dbraw/zinc/52/01/35/370520135.db2.gz QNYBNDWWFXEFQK-GFCCVEGCSA-N 2 0 236.363 0.987 20 0 BCADRP CCn1cc(CC[N@H+](C)C2CC([NH3+])C2)cn1 ZINC000621775034 370521605 /nfs/dbraw/zinc/52/16/05/370521605.db2.gz DJFYIUKVHGFHBI-UHFFFAOYSA-N 2 0 222.336 0.867 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C[C@@H]1CCC[NH2+]C1)C2 ZINC000621777301 370526318 /nfs/dbraw/zinc/52/63/18/370526318.db2.gz ABNXYQHTMGUWHA-UPJWGTAASA-N 2 0 223.364 0.799 20 0 BCADRP [NH3+][C@]12CCC[C@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000621777485 370527244 /nfs/dbraw/zinc/52/72/44/370527244.db2.gz CYFWDHPMYWEGFW-STQMWFEESA-N 3 0 223.364 0.799 20 0 BCADRP Cn1cc(CCN2C[C@@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000621781960 370530806 /nfs/dbraw/zinc/53/08/06/370530806.db2.gz KLNFDXNHWHKLSL-QWHCGFSZSA-N 2 0 234.347 0.776 20 0 BCADRP C[NH+](C)CC1CCC([NH2+]CCC(N)=O)CC1 ZINC000568620976 326367674 /nfs/dbraw/zinc/36/76/74/326367674.db2.gz SNADULBHFUWULS-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP c1ccc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000082416896 370993469 /nfs/dbraw/zinc/99/34/69/370993469.db2.gz SWBNXZYDWIYTTP-RYUDHWBXSA-N 2 0 217.316 0.775 20 0 BCADRP CN(C(=O)CC[NH2+]C1CC1)[C@H](C[NH3+])C1CC1 ZINC000568662731 326371760 /nfs/dbraw/zinc/37/17/60/326371760.db2.gz ITWDALYPZXVLGO-LLVKDONJSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCN2CC[C@H](O)C2)C[C@H](C)O1 ZINC000623838260 371119525 /nfs/dbraw/zinc/11/95/25/371119525.db2.gz MSCCSYOYJUICKP-RNJOBUHISA-N 2 0 242.363 0.599 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000569230405 326395382 /nfs/dbraw/zinc/39/53/82/326395382.db2.gz WNBNJEXCSGXQDN-FIQHERPVSA-N 2 0 241.379 0.768 20 0 BCADRP C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)[C@@H]1CCCCO1 ZINC000623960918 371198475 /nfs/dbraw/zinc/19/84/75/371198475.db2.gz MCOIDYKDJVIRBW-AVGNSLFASA-N 2 0 242.363 0.600 20 0 BCADRP C[NH2+]CCCC(=O)N(C)C1CC[NH2+]CC1 ZINC000390776155 371234605 /nfs/dbraw/zinc/23/46/05/371234605.db2.gz FQCWZOAQLMYYRX-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)[C@@H]1CCC[NH2+]1)C2 ZINC000373615103 181581775 /nfs/dbraw/zinc/58/17/75/181581775.db2.gz GZAVJNNEBSIIRW-LOWVWBTDSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000364780862 181582854 /nfs/dbraw/zinc/58/28/54/181582854.db2.gz XLHSJESBZXWZCT-GARJFASQSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000376381769 181583900 /nfs/dbraw/zinc/58/39/00/181583900.db2.gz CCYBAPAYHUJRTG-QJPTWQEYSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1C[C@@H](NCC[NH+]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000624228535 371417566 /nfs/dbraw/zinc/41/75/66/371417566.db2.gz VDJHLJIOBJBOQB-FRRDWIJNSA-N 2 0 241.379 0.125 20 0 BCADRP C[C@@H](Cc1ccoc1)[NH2+]CCN1CC[C@@H](O)C1 ZINC000624231044 371418794 /nfs/dbraw/zinc/41/87/94/371418794.db2.gz OBVHOEFKVAMYFW-WCQYABFASA-N 2 0 238.331 0.867 20 0 BCADRP O=C(CC[NH2+]C1CC1)NCC[N@H+]1CC=CCC1 ZINC000392800148 371457544 /nfs/dbraw/zinc/45/75/44/371457544.db2.gz PUSSKTIOECOEHM-UHFFFAOYSA-N 2 0 237.347 0.507 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000162073537 371608040 /nfs/dbraw/zinc/60/80/40/371608040.db2.gz LZMPBGQNMXCZNP-NWDGAFQWSA-N 2 0 239.363 0.714 20 0 BCADRP Cc1cncn1CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000627488142 371653234 /nfs/dbraw/zinc/65/32/34/371653234.db2.gz SBNUPEMDDIJWAM-NWDGAFQWSA-N 2 0 248.330 0.354 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000132424768 371819238 /nfs/dbraw/zinc/81/92/38/371819238.db2.gz ZUOGUJVGMAAGIP-LBPRGKRZSA-N 2 0 239.363 0.666 20 0 BCADRP O=C(CC1CC[NH2+]CC1)N[C@H]1CCC[NH2+]C1 ZINC000238145794 181896002 /nfs/dbraw/zinc/89/60/02/181896002.db2.gz JSPSUCKXPGLHFC-NSHDSACASA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H]([NH2+][C@@H]1COCC[C@H]1O)C1CC[NH+](C)CC1 ZINC000631748593 372549565 /nfs/dbraw/zinc/54/95/65/372549565.db2.gz BCDYXCHVMBCIJG-CYZMBNFOSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@H](CNC(=O)C[NH+](C)C)C[NH+]1CCCC1 ZINC000171385477 372565099 /nfs/dbraw/zinc/56/50/99/372565099.db2.gz IFCYJDCJJYISPC-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000631822449 372598660 /nfs/dbraw/zinc/59/86/60/372598660.db2.gz DJRLOQLKAGJWHT-GMTAPVOTSA-N 2 0 235.335 0.435 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000631822450 372599034 /nfs/dbraw/zinc/59/90/34/372599034.db2.gz DJRLOQLKAGJWHT-MXWKQRLJSA-N 2 0 235.335 0.435 20 0 BCADRP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000631826765 372606282 /nfs/dbraw/zinc/60/62/82/372606282.db2.gz WLMTWVDUCFWYTH-VXGBXAGGSA-N 2 0 249.362 0.969 20 0 BCADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000631829623 372609614 /nfs/dbraw/zinc/60/96/14/372609614.db2.gz WHYUPSGIEMQMJQ-VOBJUBJWSA-N 2 0 210.321 0.835 20 0 BCADRP C[C@@H]1CC[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1C[NH3+] ZINC000631828844 372610726 /nfs/dbraw/zinc/61/07/26/372610726.db2.gz ZUIAANGCMZJLGM-UTUOFQBUSA-N 2 0 249.362 0.682 20 0 BCADRP [NH3+]CCC1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000631829080 372611337 /nfs/dbraw/zinc/61/13/37/372611337.db2.gz GKKKEPVNJCGKLK-LBPRGKRZSA-N 2 0 249.362 0.826 20 0 BCADRP C[C@@H]1OCC[C@@H]1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000631829487 372611648 /nfs/dbraw/zinc/61/16/48/372611648.db2.gz RIMYQELMCDSSKB-WDEREUQCSA-N 2 0 228.336 0.116 20 0 BCADRP C[C@H]1OCC[C@H]1C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000631829624 372611917 /nfs/dbraw/zinc/61/19/17/372611917.db2.gz WHYUPSGIEMQMJQ-ZYGVAYEYSA-N 2 0 210.321 0.835 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000631831530 372616654 /nfs/dbraw/zinc/61/66/54/372616654.db2.gz HUPNAPFWEHFLDJ-NWDGAFQWSA-N 2 0 211.353 0.799 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN1CCCCC[C@@H]([NH3+])C1 ZINC000631834863 372620234 /nfs/dbraw/zinc/62/02/34/372620234.db2.gz HHUYDRUSFUSQFW-VXGBXAGGSA-N 2 0 229.368 0.160 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000631835065 372620598 /nfs/dbraw/zinc/62/05/98/372620598.db2.gz LMJRZIRLLKXXDU-VXGBXAGGSA-N 2 0 227.352 0.178 20 0 BCADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000631838371 372628037 /nfs/dbraw/zinc/62/80/37/372628037.db2.gz NEQAOBYSCUDFFD-CMPLNLGQSA-N 3 0 211.353 0.513 20 0 BCADRP C[C@@H]1OCC[C@@H]1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631861697 372663176 /nfs/dbraw/zinc/66/31/76/372663176.db2.gz HFGUZXLZRVJTRP-NWDGAFQWSA-N 2 0 242.363 0.458 20 0 BCADRP OCC[NH2+]C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000631862932 372665363 /nfs/dbraw/zinc/66/53/63/372665363.db2.gz VQUMMFKFKLLWSV-GFCCVEGCSA-N 2 0 241.379 0.032 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889123 372683718 /nfs/dbraw/zinc/68/37/18/372683718.db2.gz GCAHCJQGOILUMJ-NEPJUHHUSA-N 3 0 227.352 0.036 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368184447 181976039 /nfs/dbraw/zinc/97/60/39/181976039.db2.gz KNHZBLQHYFPKPJ-NEPJUHHUSA-N 2 0 237.347 0.196 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372887902 182017654 /nfs/dbraw/zinc/01/76/54/182017654.db2.gz AVWDNGLJVNRUCW-SRVKXCTJSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726698 182017973 /nfs/dbraw/zinc/01/79/73/182017973.db2.gz PVGSQDHCMWNFJX-QWRGUYRKSA-N 2 0 237.347 0.481 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000364105724 182026843 /nfs/dbraw/zinc/02/68/43/182026843.db2.gz ULJWYOCOQKAIMI-UTUOFQBUSA-N 2 0 237.347 0.481 20 0 BCADRP COCCOCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000222685231 259559059 /nfs/dbraw/zinc/55/90/59/259559059.db2.gz PNOPSKRGRTVZFD-NWDGAFQWSA-N 2 0 230.352 0.579 20 0 BCADRP O=C(N1CC[C@H]2C[NH2+]C[C@H]21)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000368169146 182083733 /nfs/dbraw/zinc/08/37/33/182083733.db2.gz WSGNEGOJWDBRSL-FMCLSXCISA-N 2 0 249.358 0.196 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632877941 373202795 /nfs/dbraw/zinc/20/27/95/373202795.db2.gz OEMRDTVXUKIANY-PWSUYJOCSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632877939 373204470 /nfs/dbraw/zinc/20/44/70/373204470.db2.gz OEMRDTVXUKIANY-CMPLNLGQSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCCOCCO)CC[N@@H+]1C ZINC000180241453 205654577 /nfs/dbraw/zinc/65/45/77/205654577.db2.gz RBOUBLHANVZIKD-VXGBXAGGSA-N 2 0 230.352 0.458 20 0 BCADRP Cc1cc(C[NH2+]CCOCC[NH+](C)C)on1 ZINC000381004325 373731980 /nfs/dbraw/zinc/73/19/80/373731980.db2.gz PWWLZJYTPSSLSS-UHFFFAOYSA-N 2 0 227.308 0.651 20 0 BCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@]1(F)CC[NH2+]C1 ZINC000376694167 182199186 /nfs/dbraw/zinc/19/91/86/182199186.db2.gz FGYUIADVUDOUEK-CMPLNLGQSA-N 2 0 243.326 0.194 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]C1)[C@]1(F)CC[NH2+]C1 ZINC000376694169 182202031 /nfs/dbraw/zinc/20/20/31/182202031.db2.gz FGYUIADVUDOUEK-PWSUYJOCSA-N 2 0 243.326 0.194 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000191987324 205941813 /nfs/dbraw/zinc/94/18/13/205941813.db2.gz LGGLJMPNLUYTTI-LPEHRKFASA-N 2 0 213.325 0.086 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000634300492 374127273 /nfs/dbraw/zinc/12/72/73/374127273.db2.gz AEGHNSWPHNKBGI-NXEZZACHSA-N 2 0 213.325 0.132 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H](C)[C@H](C)[NH3+])CC[N@@H+]1C ZINC000634301116 374128936 /nfs/dbraw/zinc/12/89/36/374128936.db2.gz XAYHULNCWHJQRU-GRYCIOLGSA-N 2 0 241.379 0.768 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H](C)C[NH3+])CC[N@@H+]1C ZINC000634300919 374128979 /nfs/dbraw/zinc/12/89/79/374128979.db2.gz PNTZJUGPAZJPOZ-GHMZBOCLSA-N 2 0 227.352 0.380 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634300949 374129205 /nfs/dbraw/zinc/12/92/05/374129205.db2.gz QYOQLTFZHMEJGE-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000634301032 374129638 /nfs/dbraw/zinc/12/96/38/374129638.db2.gz URKKOJFRGJZPFE-VXGBXAGGSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634271808 374086471 /nfs/dbraw/zinc/08/64/71/374086471.db2.gz WEKOXKOKCZGXNU-DCAQKATOSA-N 2 0 240.351 0.260 20 0 BCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000037649599 182242554 /nfs/dbraw/zinc/24/25/54/182242554.db2.gz JHPZQRJXYCGVEL-ZYHUDNBSSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000251543757 182243101 /nfs/dbraw/zinc/24/31/01/182243101.db2.gz YNBFXLFZBWQIIP-MNOVXSKESA-N 2 0 237.347 0.196 20 0 BCADRP C[NH+](C)C1(CNC(=O)NCC(C)(C)[NH3+])CCC1 ZINC000418055058 205976599 /nfs/dbraw/zinc/97/65/99/205976599.db2.gz GEZFLYPSKXDTAG-UHFFFAOYSA-N 2 0 242.367 0.507 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418402410 206018489 /nfs/dbraw/zinc/01/84/89/206018489.db2.gz ZKVIMQUXYNVDRB-DCAQKATOSA-N 2 0 242.367 0.139 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418401924 206018336 /nfs/dbraw/zinc/01/83/36/206018336.db2.gz IFMCRMZPDDLZEX-UWVGGRQHSA-N 2 0 228.340 0.006 20 0 BCADRP O[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000424379452 206039492 /nfs/dbraw/zinc/03/94/92/206039492.db2.gz OVKIQCBOMNCDLK-FXVHWTKVSA-N 2 0 210.321 0.772 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C1CC[NH2+]CC1 ZINC000044726732 182301434 /nfs/dbraw/zinc/30/14/34/182301434.db2.gz XXDVKJTUFHWOOT-LLVKDONJSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CC[NH2+]C1 ZINC000250895025 182301922 /nfs/dbraw/zinc/30/19/22/182301922.db2.gz YICSXTPPLUNQRY-IJLUTSLNSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000247065506 182304108 /nfs/dbraw/zinc/30/41/08/182304108.db2.gz VIVQDQFKJQIKRK-USZNOCQGSA-N 2 0 237.347 0.385 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000446270475 206091840 /nfs/dbraw/zinc/09/18/40/206091840.db2.gz STCNJOBUEJXWHN-SDDRHHMPSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H](C)C[NH3+] ZINC000449392571 206096736 /nfs/dbraw/zinc/09/67/36/206096736.db2.gz KLBVZMHNKFHQQL-BDAKNGLRSA-N 2 0 215.341 0.474 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449598712 206099631 /nfs/dbraw/zinc/09/96/31/206099631.db2.gz CXBUYBKUFTVGPV-NHCYSSNCSA-N 2 0 235.331 0.847 20 0 BCADRP C[C@@H](NC(=O)C[C@H]([NH3+])c1ccccc1)[C@H](C)[NH3+] ZINC000449598943 206099855 /nfs/dbraw/zinc/09/98/55/206099855.db2.gz DVGOYZIOTNLMRE-UMNHJUIQSA-N 2 0 235.331 0.928 20 0 BCADRP O=C(Nc1cccc2c1C[NH2+]CC2)C1C[NH2+]C1 ZINC000375959246 182373249 /nfs/dbraw/zinc/37/32/49/182373249.db2.gz SKOFIFSUMQYEGJ-UHFFFAOYSA-N 2 0 231.299 0.490 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365332485 182617168 /nfs/dbraw/zinc/61/71/68/182617168.db2.gz HWCDSKVILZJWOD-TUAOUCFPSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000178406960 134309925 /nfs/dbraw/zinc/30/99/25/134309925.db2.gz MUCAYRYJAHVLEL-CMPLNLGQSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000521999187 259581836 /nfs/dbraw/zinc/58/18/36/259581836.db2.gz KVHPEEGWCGQHIE-IUCAKERBSA-N 2 0 216.329 0.021 20 0 BCADRP C[C@@H]([NH3+])CCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000178669709 134312889 /nfs/dbraw/zinc/31/28/89/134312889.db2.gz QJXDBQICZHTEOM-WAAKLRNESA-N 2 0 239.363 0.761 20 0 BCADRP [NH3+]CCC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000178708268 134313417 /nfs/dbraw/zinc/31/34/17/134313417.db2.gz LOELKJYTHFJJTB-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP OCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363413894 183055940 /nfs/dbraw/zinc/05/59/40/183055940.db2.gz IIMGOABYLYBMRS-UPJWGTAASA-N 2 0 224.348 0.785 20 0 BCADRP OCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360911592 183077787 /nfs/dbraw/zinc/07/77/87/183077787.db2.gz DRXOGGAONBCDEU-IJLUTSLNSA-N 2 0 210.321 0.395 20 0 BCADRP OCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250830293 183078990 /nfs/dbraw/zinc/07/89/90/183078990.db2.gz IVFHBQQDANQSIB-IJLUTSLNSA-N 2 0 212.337 0.879 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C[C@H]1CCC[NH2+]1 ZINC000162917121 169002343 /nfs/dbraw/zinc/00/23/43/169002343.db2.gz ZWWQBSLRWAYOBM-GHMZBOCLSA-N 2 0 227.352 0.762 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCC[NH2+]1 ZINC000132021060 169002556 /nfs/dbraw/zinc/00/25/56/169002556.db2.gz JSHQMHHGPOHXBE-NXEZZACHSA-N 2 0 213.325 0.372 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359381637 169005692 /nfs/dbraw/zinc/00/56/92/169005692.db2.gz BXNZRZKILKTZLA-AXFHLTTASA-N 2 0 225.336 0.182 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000336774352 169005847 /nfs/dbraw/zinc/00/58/47/169005847.db2.gz ZLGMDMHXMZIUNR-QMMMGPOBSA-N 2 0 201.314 0.357 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000309408464 169006163 /nfs/dbraw/zinc/00/61/63/169006163.db2.gz IFDVUPHNUFNRPP-BBBLOLIVSA-N 2 0 213.325 0.452 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000336741322 169007433 /nfs/dbraw/zinc/00/74/33/169007433.db2.gz NDATXLTWNPVCPO-VHSXEESVSA-N 2 0 213.325 0.357 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726723 169007749 /nfs/dbraw/zinc/00/77/49/169007749.db2.gz BCSCPJHJYOHSDC-JQWIXIFHSA-N 2 0 239.363 0.857 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364559551 169002006 /nfs/dbraw/zinc/00/20/06/169002006.db2.gz LTNPWJVXVWHLAC-WZRBSPASSA-N 2 0 239.363 0.620 20 0 BCADRP CCCN(C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000333672043 169044261 /nfs/dbraw/zinc/04/42/61/169044261.db2.gz NFOYJTFGDBGISH-GHMZBOCLSA-N 2 0 240.351 0.132 20 0 BCADRP C[NH2+]CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000178809229 134315026 /nfs/dbraw/zinc/31/50/26/134315026.db2.gz OELFNEGXEWMWAT-LLVKDONJSA-N 2 0 225.336 0.150 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1C ZINC000359244595 169070623 /nfs/dbraw/zinc/07/06/23/169070623.db2.gz RBFHUESDKOURJA-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)C)CC1 ZINC000358552815 169065086 /nfs/dbraw/zinc/06/50/86/169065086.db2.gz BRTWKFBAQHVLSD-UHFFFAOYSA-N 2 0 241.379 0.881 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000130888912 169120564 /nfs/dbraw/zinc/12/05/64/169120564.db2.gz HXSHDZUNMOAIBS-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP O[C@]1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCOC1 ZINC000300415288 183252025 /nfs/dbraw/zinc/25/20/25/183252025.db2.gz VCUGZOOXABFCSJ-AGIUHOORSA-N 2 0 240.347 0.354 20 0 BCADRP CCC[NH+]1CCC(N(C)C(=O)C[NH3+])CC1 ZINC000038100741 169186738 /nfs/dbraw/zinc/18/67/38/169186738.db2.gz XXZQEWPVIYSAQZ-UHFFFAOYSA-N 2 0 213.325 0.278 20 0 BCADRP CCC[NH+]1CCC([NH2+]CCCO)CC1 ZINC000020187805 169188573 /nfs/dbraw/zinc/18/85/73/169188573.db2.gz TXDKVXZHKXHXPG-UHFFFAOYSA-N 2 0 200.326 0.833 20 0 BCADRP CCC[NH+]1CCC(NC(=O)CCC[NH2+]C)CC1 ZINC000040829719 169188778 /nfs/dbraw/zinc/18/87/78/169188778.db2.gz PJNMGCUJXBGYPO-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP CCC[NH+]1CCC([NH2+][C@H](C)CO)CC1 ZINC000035603649 169190338 /nfs/dbraw/zinc/19/03/38/169190338.db2.gz HDVQBQZZACARKK-SNVBAGLBSA-N 2 0 200.326 0.831 20 0 BCADRP CCC[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000370781635 169193610 /nfs/dbraw/zinc/19/36/10/169193610.db2.gz PUVUKOKMFWELTQ-LBPRGKRZSA-N 2 0 241.379 0.914 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C ZINC000236764285 169195262 /nfs/dbraw/zinc/19/52/62/169195262.db2.gz JMFUJCAPKZXPGU-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082654312 169198544 /nfs/dbraw/zinc/19/85/44/169198544.db2.gz MASLLOMBTVDVOW-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC ZINC000358950057 169200732 /nfs/dbraw/zinc/20/07/32/169200732.db2.gz WKZMQCXPNKMQBO-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)NC)C1 ZINC000353651016 169208954 /nfs/dbraw/zinc/20/89/54/169208954.db2.gz YEBJHPPRVQWTDQ-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@@H]1CC ZINC000353509979 169258645 /nfs/dbraw/zinc/25/86/45/169258645.db2.gz IPQQDSXXTMSCTL-GHMZBOCLSA-N 2 0 227.352 0.490 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@@H]1CC ZINC000353509982 169259601 /nfs/dbraw/zinc/25/96/01/169259601.db2.gz IPQQDSXXTMSCTL-WDEREUQCSA-N 2 0 227.352 0.490 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000364646818 169386872 /nfs/dbraw/zinc/38/68/72/169386872.db2.gz NWMFDAGBHWYOOT-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000178860654 134315850 /nfs/dbraw/zinc/31/58/50/134315850.db2.gz ZSDFGVCXHSNLPP-JQWIXIFHSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000179149545 134317819 /nfs/dbraw/zinc/31/78/19/134317819.db2.gz XTOIFXLMINLCHZ-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726824 169392433 /nfs/dbraw/zinc/39/24/33/169392433.db2.gz VIUWAHVYCOLJPD-GXSJLCMTSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000180896464 134332201 /nfs/dbraw/zinc/33/22/01/134332201.db2.gz CYJDREJGNSSFQP-JQWIXIFHSA-N 2 0 225.336 0.326 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224022804 134344569 /nfs/dbraw/zinc/34/45/69/134344569.db2.gz NELSQUQBGKDPMQ-SDDRHHMPSA-N 2 0 230.352 0.456 20 0 BCADRP CC[C@@H]1C[N@H+](CCOCC[NH3+])CCS1 ZINC000133085566 171081869 /nfs/dbraw/zinc/08/18/69/171081869.db2.gz CHHPPCFPGYWOHV-SNVBAGLBSA-N 2 0 218.366 0.789 20 0 BCADRP Cn1nncc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227327331 134378306 /nfs/dbraw/zinc/37/83/06/134378306.db2.gz RYADPLROIOOTRE-UHFFFAOYSA-N 2 0 237.351 0.637 20 0 BCADRP CC[NH+](CC)CCNC(=O)CC[C@@H](C)[NH3+] ZINC000069838727 383847417 /nfs/dbraw/zinc/84/74/17/383847417.db2.gz BPKJRFADQVWEJC-SNVBAGLBSA-N 2 0 215.341 0.572 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000648124832 383849917 /nfs/dbraw/zinc/84/99/17/383849917.db2.gz CXLAJNZRLBVHID-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)C1CC[NH2+]CC1 ZINC000309379120 383861684 /nfs/dbraw/zinc/86/16/84/383861684.db2.gz DCJMPZRTGZJNKV-DTWKUNHWSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)COCC[N@H+](C)CCOCC[NH3+] ZINC000301050140 383881015 /nfs/dbraw/zinc/88/10/15/383881015.db2.gz SDOKDCLMJNYERX-UHFFFAOYSA-N 2 0 218.341 0.566 20 0 BCADRP [NH3+]C[C@@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000049314767 383891761 /nfs/dbraw/zinc/89/17/61/383891761.db2.gz GAURMRGQZPZJNU-NSHDSACASA-N 2 0 208.309 0.554 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)C[C@H](C)[NH3+] ZINC000309380057 383892961 /nfs/dbraw/zinc/89/29/61/383892961.db2.gz DDQZIUVCBNHYJA-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CC1([NH3+])CCC1 ZINC000646876319 383893730 /nfs/dbraw/zinc/89/37/30/383893730.db2.gz XROKCUDEKQVXTR-UWVGGRQHSA-N 2 0 225.336 0.454 20 0 BCADRP CC[C@@H]1CN(C(=O)C2([NH3+])CCCC2)CC[C@@H]1[NH3+] ZINC000648126045 383983050 /nfs/dbraw/zinc/98/30/50/383983050.db2.gz YURHIDVJXIUHCR-MNOVXSKESA-N 2 0 239.363 0.844 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[C@H]1[NH3+] ZINC000648126300 383984117 /nfs/dbraw/zinc/98/41/17/383984117.db2.gz DRKIDYJYXLVRSW-ZIQFBCGOSA-N 2 0 237.347 0.038 20 0 BCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CC[NH2+]C ZINC000357242873 383991973 /nfs/dbraw/zinc/99/19/73/383991973.db2.gz NLFSPSZVHJZJBM-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP CC[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[C@H]1[NH3+] ZINC000648126620 383992461 /nfs/dbraw/zinc/99/24/61/383992461.db2.gz OYTSPHWXOWACNG-KQSJRHEJSA-N 2 0 237.347 0.323 20 0 BCADRP CC[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[C@@H]1[NH3+] ZINC000648126621 383994154 /nfs/dbraw/zinc/99/41/54/383994154.db2.gz OYTSPHWXOWACNG-MJDLHHQISA-N 2 0 237.347 0.323 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000357237156 383966569 /nfs/dbraw/zinc/96/65/69/383966569.db2.gz GHOKVZJMNQAXNP-ZWNOBZJWSA-N 2 0 247.342 0.727 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000566295675 383974341 /nfs/dbraw/zinc/97/43/41/383974341.db2.gz DXBRVEGUTKNDRU-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@H+](CCNCc1ncc[nH]1)C1CC1 ZINC000067696280 384016912 /nfs/dbraw/zinc/01/69/12/384016912.db2.gz BRRJMBAAGFVFEG-UHFFFAOYSA-N 2 0 208.309 0.984 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000449508316 384011835 /nfs/dbraw/zinc/01/18/35/384011835.db2.gz GRSQFHNENFEXSR-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@]1(c2nc([C@@H]3CCC[NH2+]3)no2)CC[NH2+]C1 ZINC000647156988 384043514 /nfs/dbraw/zinc/04/35/14/384043514.db2.gz ZIIIHBGBDUQWFI-GZMMTYOYSA-N 2 0 222.292 0.745 20 0 BCADRP F[C@]1(c2nc([C@H]3CCC[NH2+]3)no2)CC[NH2+]C1 ZINC000647156670 384043606 /nfs/dbraw/zinc/04/36/06/384043606.db2.gz KZNDPGDKFOOELL-GMSGAONNSA-N 2 0 226.255 0.652 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186843863 384053444 /nfs/dbraw/zinc/05/34/44/384053444.db2.gz LZYDPAJLMKJWID-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186843878 384053130 /nfs/dbraw/zinc/05/31/30/384053130.db2.gz LZYDPAJLMKJWID-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)c1c[nH+]ccc1N(C)C ZINC000648129318 384083527 /nfs/dbraw/zinc/08/35/27/384083527.db2.gz SCMLDGPIXXBAAE-MRVPVSSYSA-N 2 0 222.292 0.225 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000648130011 384086525 /nfs/dbraw/zinc/08/65/25/384086525.db2.gz BLZMCGMJQDEXIQ-GARJFASQSA-N 2 0 225.336 0.311 20 0 BCADRP C[C@]1(CNC(=O)[C@@H]([NH3+])CC(F)F)CCC[NH2+]C1 ZINC000569456165 384060930 /nfs/dbraw/zinc/06/09/30/384060930.db2.gz VYNXCPNIJDFCFA-KWQFWETISA-N 2 0 249.305 0.475 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000517373046 384063831 /nfs/dbraw/zinc/06/38/31/384063831.db2.gz AHWSRIMKWCYFQZ-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)CCNc1ncnc(N)c1Cl ZINC000234252949 384096387 /nfs/dbraw/zinc/09/63/87/384096387.db2.gz DNQRUNOAQQADBA-UHFFFAOYSA-N 2 0 215.688 0.686 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000449381355 384098084 /nfs/dbraw/zinc/09/80/84/384098084.db2.gz RSWFMIDGLQJYMJ-CHWFTXMASA-N 2 0 225.336 0.051 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000569482547 384107275 /nfs/dbraw/zinc/10/72/75/384107275.db2.gz MVZKNDOIDWYQSV-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000648136539 384155478 /nfs/dbraw/zinc/15/54/78/384155478.db2.gz SHFPLTZDDXBIHS-YTWAJWBKSA-N 2 0 225.336 0.241 20 0 BCADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000648137849 384158306 /nfs/dbraw/zinc/15/83/06/384158306.db2.gz OXKAJGLIKKBMJF-OWTLIXCDSA-N 2 0 249.358 0.054 20 0 BCADRP C[NH2+]CCCC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000648136854 384157565 /nfs/dbraw/zinc/15/75/65/384157565.db2.gz YUFZARZDSCILFM-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP Cn1ccnc1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000070854842 384138982 /nfs/dbraw/zinc/13/89/82/384138982.db2.gz NXYYBCFLHSTVTL-SECBINFHSA-N 2 0 222.292 0.178 20 0 BCADRP C[C@@]1(C(=O)N2CCC(C[NH3+])CC2)CCC[NH2+]C1 ZINC000336581536 384174300 /nfs/dbraw/zinc/17/43/00/384174300.db2.gz BIZSXQDTSXJJOU-CYBMUJFWSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC(C)(C)CCC[NH3+])CC[N@@H+]1C ZINC000648142394 384174384 /nfs/dbraw/zinc/17/43/84/384174384.db2.gz QCTYMYYZSWENCD-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000648136780 384158506 /nfs/dbraw/zinc/15/85/06/384158506.db2.gz NNVGTWDPOPPJED-WDEREUQCSA-N 2 0 225.336 0.468 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000648140086 384167114 /nfs/dbraw/zinc/16/71/14/384167114.db2.gz CALWGBBYEIMDFD-JTQLQIEISA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000566214675 384233024 /nfs/dbraw/zinc/23/30/24/384233024.db2.gz LFMMTJQZXLRFHF-MXWKQRLJSA-N 2 0 225.336 0.039 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000647780106 384236558 /nfs/dbraw/zinc/23/65/58/384236558.db2.gz ALNJHCJRCDCGLF-UTUOFQBUSA-N 2 0 237.347 0.195 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000336618692 384237925 /nfs/dbraw/zinc/23/79/25/384237925.db2.gz HRVKDCSKFPJXMP-RYUDHWBXSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@@H](NC1CC[NH+](C(C)C)CC1)C(N)=O ZINC000173620830 384239418 /nfs/dbraw/zinc/23/94/18/384239418.db2.gz KUTWPCZNWXOBDA-LLVKDONJSA-N 2 0 227.352 0.713 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000336618693 384239887 /nfs/dbraw/zinc/23/98/87/384239887.db2.gz HRVKDCSKFPJXMP-VXGBXAGGSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])[N@H+](C)C1CC1 ZINC000235483415 384249021 /nfs/dbraw/zinc/24/90/21/384249021.db2.gz KKKUIRQKPRMSLH-BBBLOLIVSA-N 2 0 227.352 0.569 20 0 BCADRP C[C@@]1(C(=O)NC[C@H]([NH3+])C2CC2)CCCC[NH2+]1 ZINC000237505860 384251414 /nfs/dbraw/zinc/25/14/14/384251414.db2.gz GTDDMHGISCHHBB-JQWIXIFHSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000566216320 384255226 /nfs/dbraw/zinc/25/52/26/384255226.db2.gz DQOKTMUMAMGXMB-JGVFFNPUSA-N 2 0 222.292 0.873 20 0 BCADRP C[C@@]1(C(=O)N[C@H](C[NH3+])C2CC2)CCCC[NH2+]1 ZINC000237514813 384257016 /nfs/dbraw/zinc/25/70/16/384257016.db2.gz DNWAHJDCTGYKQX-PWSUYJOCSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](CC(=O)NCC[C@H](C)[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000178658934 384258519 /nfs/dbraw/zinc/25/85/19/384258519.db2.gz RYUBZJSUGMRYIX-GRYCIOLGSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H](C(=O)N(C)[C@@H](C[NH3+])C1CC1)[C@H](C)[NH3+] ZINC000521042940 384264220 /nfs/dbraw/zinc/26/42/20/384264220.db2.gz YXJVBHGFXIKMGP-WEDXCCLWSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000521042938 384266212 /nfs/dbraw/zinc/26/62/12/384266212.db2.gz YXJVBHGFXIKMGP-NRPADANISA-N 2 0 213.325 0.165 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+]CCN1CCSCC1 ZINC000308820301 384310409 /nfs/dbraw/zinc/31/04/09/384310409.db2.gz JMJWQFRAHPSWMD-LLVKDONJSA-N 2 0 231.409 0.752 20 0 BCADRP CC[NH+](CC)CC(=O)NCC[NH2+]C(C)(C)C ZINC000174239009 384312634 /nfs/dbraw/zinc/31/26/34/384312634.db2.gz NTADPQUJDXNAQS-UHFFFAOYSA-N 2 0 229.368 0.833 20 0 BCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C1([NH3+])CC1 ZINC000237548284 384279803 /nfs/dbraw/zinc/27/98/03/384279803.db2.gz NBWWPAZRYQPODY-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP CC[N@H+](C)C[C@H]1CC[NH+](CCOC)C1 ZINC000173894862 384282380 /nfs/dbraw/zinc/28/23/80/384282380.db2.gz XGLOMYQLXVPRIO-LLVKDONJSA-N 2 0 200.326 0.906 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000647506578 384297893 /nfs/dbraw/zinc/29/78/93/384297893.db2.gz SZJBKPIAPCAEFU-SDDRHHMPSA-N 2 0 227.352 0.034 20 0 BCADRP CN(C(=O)C1(C)C[NH2+]C1)C1CC[NH+](C)CC1 ZINC000335495837 384300707 /nfs/dbraw/zinc/30/07/07/384300707.db2.gz NSDDKBLENHLFKA-UHFFFAOYSA-N 2 0 225.336 0.149 20 0 BCADRP CCO[C@@H]1CN(Cc2ccns2)C[C@H]1C[NH3+] ZINC000405456430 384349177 /nfs/dbraw/zinc/34/91/77/384349177.db2.gz PUOWWODSMSVYKG-MWLCHTKSSA-N 2 0 241.360 0.939 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C[NH+](C)C)C1 ZINC000174757267 384359491 /nfs/dbraw/zinc/35/94/91/384359491.db2.gz RPBJTQVEVCNCJV-LBPRGKRZSA-N 2 0 241.379 0.738 20 0 BCADRP COC[C@H]([NH3+])C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000159828893 384360474 /nfs/dbraw/zinc/36/04/74/384360474.db2.gz PMIMAXYEKJHXAK-QWRGUYRKSA-N 2 0 245.367 0.053 20 0 BCADRP c1ncn(CC[NH2+][C@H]2CCC[NH2+]CC2)n1 ZINC000331497554 384332081 /nfs/dbraw/zinc/33/20/81/384332081.db2.gz NXTFGNCLOOAAES-JTQLQIEISA-N 2 0 209.297 0.010 20 0 BCADRP C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000135074814 384411218 /nfs/dbraw/zinc/41/12/18/384411218.db2.gz KDHJJDXICLPTGG-GWOFURMSSA-N 2 0 200.326 0.686 20 0 BCADRP CCO[C@@H]1C[N@H+](C[C@H]2CC[C@H](C)O2)C[C@H]1C[NH3+] ZINC000405540237 384411532 /nfs/dbraw/zinc/41/15/32/384411532.db2.gz RISUBHXXPKXTLS-UMSGYPCISA-N 2 0 242.363 0.850 20 0 BCADRP CC(C)([NH3+])CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000647513345 384417259 /nfs/dbraw/zinc/41/72/59/384417259.db2.gz VBTBDOQBMBTPEJ-GFCCVEGCSA-N 2 0 241.379 0.520 20 0 BCADRP c1cnc(CCN2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000403044769 384421839 /nfs/dbraw/zinc/42/18/39/384421839.db2.gz GTBDDVNVALCLOA-PHIMTYICSA-N 2 0 218.304 0.170 20 0 BCADRP CC(C)[C@@H](C(=O)N1CCC[NH2+]CC1)[C@@H](C)[NH3+] ZINC000335603407 384376362 /nfs/dbraw/zinc/37/63/62/384376362.db2.gz HSCQFFCCSHMCCU-GHMZBOCLSA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)[NH+]1CCN(CCn2ccnc2)CC1 ZINC000120780750 384379309 /nfs/dbraw/zinc/37/93/09/384379309.db2.gz PKQQPAGTGGDHAB-UHFFFAOYSA-N 2 0 222.336 0.909 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000248862946 384387996 /nfs/dbraw/zinc/38/79/96/384387996.db2.gz MOWZMTUENHNZKD-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648145869 384448189 /nfs/dbraw/zinc/44/81/89/384448189.db2.gz RYIJWUMOILWDBM-KXUCPTDWSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000565539957 384430563 /nfs/dbraw/zinc/43/05/63/384430563.db2.gz RWWVGVVQIZCLHO-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000237919742 384430689 /nfs/dbraw/zinc/43/06/89/384430689.db2.gz FVJIBGZWBFIWMQ-WYUUTHIRSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)N(C)C)C1 ZINC000082645452 384439081 /nfs/dbraw/zinc/43/90/81/384439081.db2.gz XYBLZQQHYSDWIU-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000249027684 384463281 /nfs/dbraw/zinc/46/32/81/384463281.db2.gz LREFDHZQOFQHFJ-RCWTZXSCSA-N 2 0 239.363 0.711 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000565005392 384471714 /nfs/dbraw/zinc/47/17/14/384471714.db2.gz SLQFJMQDODNWJB-NHCYSSNCSA-N 2 0 235.331 0.928 20 0 BCADRP C([C@@H]1CCSC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000224617521 384473114 /nfs/dbraw/zinc/47/31/14/384473114.db2.gz CCFGJHWGJNKRNF-GARJFASQSA-N 2 0 212.362 0.891 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180588 384475299 /nfs/dbraw/zinc/47/52/99/384475299.db2.gz ITIPILGKDUMDGG-WDEREUQCSA-N 2 0 239.363 0.761 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000249066467 384475768 /nfs/dbraw/zinc/47/57/68/384475768.db2.gz PVVVFTPTJWVCBN-WOPDTQHZSA-N 2 0 241.379 0.770 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])C1 ZINC000249066463 384476586 /nfs/dbraw/zinc/47/65/86/384476586.db2.gz PVVVFTPTJWVCBN-UTUOFQBUSA-N 2 0 241.379 0.770 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180644 384476995 /nfs/dbraw/zinc/47/69/95/384476995.db2.gz KOTGDVYJRLGBOL-UWVGGRQHSA-N 2 0 225.336 0.515 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180707 384479434 /nfs/dbraw/zinc/47/94/34/384479434.db2.gz MLEXRXVGVKPPMS-GHMZBOCLSA-N 2 0 239.363 0.633 20 0 BCADRP COC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000569595766 384486186 /nfs/dbraw/zinc/48/61/86/384486186.db2.gz UXUHOSPDLBXANO-STQMWFEESA-N 2 0 244.379 0.704 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000036871135 384459161 /nfs/dbraw/zinc/45/91/61/384459161.db2.gz ISHZIVULAGXKMC-SECBINFHSA-N 2 0 215.341 0.428 20 0 BCADRP CN(C(=O)[C@@H]1C[NH2+]CCC1(F)F)C1CC([NH3+])C1 ZINC000648146731 384495761 /nfs/dbraw/zinc/49/57/61/384495761.db2.gz ASDADWBRYRIOGB-HACHORDNSA-N 2 0 247.289 0.179 20 0 BCADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648147006 384501267 /nfs/dbraw/zinc/50/12/67/384501267.db2.gz SXGZXUAYZMYGDP-WQAKAFBOSA-N 2 0 243.310 0.979 20 0 BCADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H](C[NH3+])C2CC2)CC[N@@H+]1C ZINC000648176998 384516810 /nfs/dbraw/zinc/51/68/10/384516810.db2.gz XBAVWHOPPHTHKO-JLLWLGSASA-N 2 0 239.363 0.522 20 0 BCADRP C(C[C@@H]1CCOC1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000400602318 384521259 /nfs/dbraw/zinc/52/12/59/384521259.db2.gz TWXJQQOYPMJJSN-UPJWGTAASA-N 2 0 224.348 0.954 20 0 BCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C1([NH3+])CCC1 ZINC000147573935 384524467 /nfs/dbraw/zinc/52/44/67/384524467.db2.gz SBBVQVZFIZGVPR-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)C1CC[NH+](C)CC1 ZINC000236624689 384536313 /nfs/dbraw/zinc/53/63/13/384536313.db2.gz PHGCJHRLZJBWFF-ZDUSSCGKSA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+]C1(C(=O)NCCC[C@@H]2CCC[NH2+]2)CCCC1 ZINC000648147388 384527637 /nfs/dbraw/zinc/52/76/37/384527637.db2.gz UATZSJIXCBTHIP-NSHDSACASA-N 2 0 239.363 0.906 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)c2c[nH+]ccc2N)C1 ZINC000569607374 384530926 /nfs/dbraw/zinc/53/09/26/384530926.db2.gz NDWCYQPJADDIEH-GFCCVEGCSA-N 2 0 234.303 0.305 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000648177343 384542555 /nfs/dbraw/zinc/54/25/55/384542555.db2.gz UGJHFJLEILRCTC-UWVGGRQHSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C[C@H]1CC[NH2+]C1 ZINC000648177346 384544444 /nfs/dbraw/zinc/54/44/44/384544444.db2.gz UGJHFJLEILRCTC-ZJUUUORDSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CCCC[NH3+] ZINC000648177329 384546168 /nfs/dbraw/zinc/54/61/68/384546168.db2.gz SWGGWHZVIXRJCI-VIFPVBQESA-N 2 0 215.341 0.605 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000561195006 384555780 /nfs/dbraw/zinc/55/57/80/384555780.db2.gz QPHNZJBZOURPED-WCQYABFASA-N 2 0 247.342 0.727 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000561194540 384555837 /nfs/dbraw/zinc/55/58/37/384555837.db2.gz NFMUBNWFIOILHR-GWOFURMSSA-N 2 0 225.336 0.193 20 0 BCADRP CC(C)(C)CC[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000236606293 384537477 /nfs/dbraw/zinc/53/74/77/384537477.db2.gz CXDWFPHMYMQCDO-UHFFFAOYSA-N 2 0 241.379 0.916 20 0 BCADRP Cc1nc(N)nc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000306113286 384573830 /nfs/dbraw/zinc/57/38/30/384573830.db2.gz VDUQQTWJWSPLDL-ZJUUUORDSA-N 2 0 248.334 0.801 20 0 BCADRP CC[NH+](CC)CC(=O)NC(CC)(CC)C[NH3+] ZINC000236841705 384590830 /nfs/dbraw/zinc/59/08/30/384590830.db2.gz SANKNNRGMJTFMP-UHFFFAOYSA-N 2 0 229.368 0.962 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000236837706 384588652 /nfs/dbraw/zinc/58/86/52/384588652.db2.gz MOJPXQXOBSUCEP-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC ZINC000151330201 384563726 /nfs/dbraw/zinc/56/37/26/384563726.db2.gz FKBQYYJKFPSIOP-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP O=C(NC[C@H]1CCCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000258324938 384566235 /nfs/dbraw/zinc/56/62/35/384566235.db2.gz DLNYFYWTGWHIIM-MNOVXSKESA-N 2 0 240.351 0.180 20 0 BCADRP CC[NH+](CC)CC[C@H](CO)[NH2+][C@H](C)[C@@H](C)O ZINC000647530372 384608651 /nfs/dbraw/zinc/60/86/51/384608651.db2.gz AOINIOVZZQSQEU-IJLUTSLNSA-N 2 0 232.368 0.438 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000309787000 384609086 /nfs/dbraw/zinc/60/90/86/384609086.db2.gz OIYXQJZKXPUITQ-IVZWLZJFSA-N 2 0 213.325 0.323 20 0 BCADRP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@@H](C)O ZINC000647530391 384609524 /nfs/dbraw/zinc/60/95/24/384609524.db2.gz DLGPJPVCSLHKDO-GHMZBOCLSA-N 2 0 218.341 0.050 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000236837934 384593736 /nfs/dbraw/zinc/59/37/36/384593736.db2.gz MOJPXQXOBSUCEP-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000236844770 384595811 /nfs/dbraw/zinc/59/58/11/384595811.db2.gz SEPMCZYPCGWNOV-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000517961955 384597860 /nfs/dbraw/zinc/59/78/60/384597860.db2.gz UYVDQFWRUZJLOF-WCFLWFBJSA-N 2 0 247.342 0.466 20 0 BCADRP c1ncn([C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647538209 384666503 /nfs/dbraw/zinc/66/65/03/384666503.db2.gz JCSDBFATADXDGK-NEPJUHHUSA-N 2 0 235.335 0.525 20 0 BCADRP C[C@@]1(C[N@@H+]2CC[C@@H](n3cncn3)C2)CC[NH2+]C1 ZINC000647538500 384668193 /nfs/dbraw/zinc/66/81/93/384668193.db2.gz VNUKFGKOJBGBLN-VXGBXAGGSA-N 2 0 235.335 0.525 20 0 BCADRP C[C@H](CC(=O)NCC1C[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000646901646 384669089 /nfs/dbraw/zinc/66/90/89/384669089.db2.gz IDCLXPOYQZHXJF-PWSUYJOCSA-N 2 0 239.363 0.348 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCC1C[NH2+]C1 ZINC000646901667 384669735 /nfs/dbraw/zinc/66/97/35/384669735.db2.gz JILHVOHWVXYVBM-LBPRGKRZSA-N 2 0 233.315 0.330 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449084143 384640108 /nfs/dbraw/zinc/64/01/08/384640108.db2.gz FRMCKFZBDJPDGR-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000569349545 384640301 /nfs/dbraw/zinc/64/03/01/384640301.db2.gz LLZNAMVQXCSXOI-YNEHKIRRSA-N 2 0 242.363 0.899 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCC[NH3+] ZINC000309820149 384640921 /nfs/dbraw/zinc/64/09/21/384640921.db2.gz WBZAEFNITVDTKM-ONGXEEELSA-N 2 0 213.325 0.359 20 0 BCADRP [NH3+]CC1(CN2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000647534328 384645053 /nfs/dbraw/zinc/64/50/53/384645053.db2.gz KVQYXONDKBLRKJ-MNOVXSKESA-N 2 0 209.337 0.409 20 0 BCADRP C[C@@H]1C[N@@H+](CCOCC[NH3+])C[C@H](C)O1 ZINC000086435339 384651366 /nfs/dbraw/zinc/65/13/66/384651366.db2.gz JKAVYVDIMHCCBX-AOOOYVTPSA-N 2 0 202.298 0.071 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449595562 384653884 /nfs/dbraw/zinc/65/38/84/384653884.db2.gz UPIPMFDCNKRXJO-YIZRAAEISA-N 2 0 201.314 0.212 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000045135560 384662377 /nfs/dbraw/zinc/66/23/77/384662377.db2.gz BQSUHTRVJOCXCL-NSHDSACASA-N 2 0 241.379 0.818 20 0 BCADRP Cn1nncc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545772 384725635 /nfs/dbraw/zinc/72/56/35/384725635.db2.gz PUBKILNSYWAKNS-NWDGAFQWSA-N 2 0 249.362 0.637 20 0 BCADRP C[N@H+](CCCCO)CC1CC[NH2+]CC1 ZINC000086702961 384678725 /nfs/dbraw/zinc/67/87/25/384678725.db2.gz QPTDCKONKVYUET-UHFFFAOYSA-N 2 0 200.326 0.690 20 0 BCADRP CCOCC[N@H+](C)CC1CC[NH2+]CC1 ZINC000086702716 384680089 /nfs/dbraw/zinc/68/00/89/384680089.db2.gz YIFWZAJLIFGVGK-UHFFFAOYSA-N 2 0 200.326 0.954 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000449603442 384685488 /nfs/dbraw/zinc/68/54/88/384685488.db2.gz QUGQRAXEWMLJDR-NAKRPEOUSA-N 2 0 227.352 0.711 20 0 BCADRP C[NH+](C)CCC1CC[NH+](CCOCCO)CC1 ZINC000304328267 384688420 /nfs/dbraw/zinc/68/84/20/384688420.db2.gz UROFZOWMLCGNSY-UHFFFAOYSA-N 2 0 244.379 0.659 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000186689096 134429271 /nfs/dbraw/zinc/42/92/71/134429271.db2.gz PZXUIGFNNUPKAU-GHMZBOCLSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449603935 384695057 /nfs/dbraw/zinc/69/50/57/384695057.db2.gz RTHMGUJPXTVCOK-ZNSHCXBVSA-N 2 0 227.352 0.472 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)c1coc(C[NH3+])c1 ZINC000518180713 384773096 /nfs/dbraw/zinc/77/30/96/384773096.db2.gz QHDPVPLCNLFNPA-JTQLQIEISA-N 2 0 239.319 0.986 20 0 BCADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546350 384729020 /nfs/dbraw/zinc/72/90/20/384729020.db2.gz HBDCNUZVEUQSTQ-IJLUTSLNSA-N 3 0 211.353 0.574 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C2([NH3+])CCC2)C1 ZINC000335416575 384729913 /nfs/dbraw/zinc/72/99/13/384729913.db2.gz HXNFBILGTYTOGR-VIFPVBQESA-N 2 0 211.309 0.078 20 0 BCADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546352 384730457 /nfs/dbraw/zinc/73/04/57/384730457.db2.gz HBDCNUZVEUQSTQ-SDDRHHMPSA-N 3 0 211.353 0.574 20 0 BCADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546141 384730556 /nfs/dbraw/zinc/73/05/56/384730556.db2.gz AMGFQMPPXOODSY-YVECIDJPSA-N 3 0 225.380 0.947 20 0 BCADRP C1[NH2+]C[C@H]2CC[C@@H]([NH2+]C3CC[NH2+]CC3)C[C@@H]12 ZINC000647546404 384731110 /nfs/dbraw/zinc/73/11/10/384731110.db2.gz IUAYSMIJXGCGLM-NTZNESFSSA-N 3 0 223.364 0.716 20 0 BCADRP NC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000647546229 384731136 /nfs/dbraw/zinc/73/11/36/384731136.db2.gz GBMZLJAFTWPZSD-XQHKEYJVSA-N 2 0 223.364 0.701 20 0 BCADRP CC(C)C[C@H](C[NH3+])N[C@H]1C[NH2+]C[C@H](C)C1 ZINC000647546508 384731229 /nfs/dbraw/zinc/73/12/29/384731229.db2.gz NBJYKNHHJGTFKU-IJLUTSLNSA-N 2 0 213.369 0.947 20 0 BCADRP [NH3+][C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000647546822 384732777 /nfs/dbraw/zinc/73/27/77/384732777.db2.gz CTHGXLDBIANFRU-YVECIDJPSA-N 3 0 223.364 0.701 20 0 BCADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000647546785 384732939 /nfs/dbraw/zinc/73/29/39/384732939.db2.gz BEDZUIQJUJYMJX-GRYCIOLGSA-N 3 0 223.364 0.846 20 0 BCADRP C1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C[NH2+]1 ZINC000647546792 384733853 /nfs/dbraw/zinc/73/38/53/384733853.db2.gz BMVSODYCIXCVSY-QCNOEVLYSA-N 3 0 209.337 0.326 20 0 BCADRP CCC[NH2+]CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546972 384734389 /nfs/dbraw/zinc/73/43/89/384734389.db2.gz IPRGBBRYBXFALX-JHJVBQTASA-N 3 0 225.380 0.964 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](N[C@@H](CC[NH3+])C(F)F)C1 ZINC000647546836 384734655 /nfs/dbraw/zinc/73/46/55/384734655.db2.gz DETGIBWEZIXHHN-CIUDSAMLSA-N 2 0 221.295 0.557 20 0 BCADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647547166 384736663 /nfs/dbraw/zinc/73/66/63/384736663.db2.gz PNNCVWSJFODZFI-NOOOWODRSA-N 3 0 211.353 0.701 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000647547414 384738222 /nfs/dbraw/zinc/73/82/22/384738222.db2.gz VOPCNIACCURKTO-RWMBFGLXSA-N 2 0 225.380 0.964 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648185988 384738505 /nfs/dbraw/zinc/73/85/05/384738505.db2.gz LDGRWPRQJWPDNU-NNYUYHANSA-N 2 0 249.358 0.243 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648186101 384740074 /nfs/dbraw/zinc/74/00/74/384740074.db2.gz NQNIICCMWHATPO-MNOVXSKESA-N 2 0 239.363 0.905 20 0 BCADRP CC(C)N1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)C1=O ZINC000647549554 384746091 /nfs/dbraw/zinc/74/60/91/384746091.db2.gz HKCIZRGYVCNRNJ-GFCCVEGCSA-N 2 0 239.363 0.585 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CC[NH2+]1 ZINC000648186545 384746860 /nfs/dbraw/zinc/74/68/60/384746860.db2.gz XJWXOJSTGWDVKJ-VHSXEESVSA-N 2 0 223.320 0.139 20 0 BCADRP Cc1ccoc1CNC[C@]1(O)CC[N@@H+](C)C1 ZINC000309969667 384749133 /nfs/dbraw/zinc/74/91/33/384749133.db2.gz OULXJOSEBBSBSK-GFCCVEGCSA-N 2 0 224.304 0.744 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000648156236 384749640 /nfs/dbraw/zinc/74/96/40/384749640.db2.gz KRSBHHPZMUYQFU-TUAOUCFPSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000647548027 384750130 /nfs/dbraw/zinc/75/01/30/384750130.db2.gz SEYYVZJVNVLPDY-MMWGEVLESA-N 2 0 215.316 0.274 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000647547908 384751197 /nfs/dbraw/zinc/75/11/97/384751197.db2.gz LDIWNUPNJMKGSZ-QJPTWQEYSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@H]1C[NH2+]C[C@@H](N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000647552314 384757713 /nfs/dbraw/zinc/75/77/13/384757713.db2.gz QREQBHMVZONOLP-WISYIIOYSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000647552116 384757906 /nfs/dbraw/zinc/75/79/06/384757906.db2.gz GQTSKNQIJNBOEP-NNYUYHANSA-N 2 0 211.353 0.844 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCCCC[NH+](CC)CC ZINC000083357036 384761579 /nfs/dbraw/zinc/76/15/79/384761579.db2.gz DORBMQXVGYJRIN-NSHDSACASA-N 2 0 229.368 0.962 20 0 BCADRP [NH3+]CCC(=O)NCc1cn2c(n1)CCCC2 ZINC000083935031 384819597 /nfs/dbraw/zinc/81/95/97/384819597.db2.gz VTOLFJNMRPFUEG-UHFFFAOYSA-N 2 0 222.292 0.184 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CC1(C[NH3+])CC1 ZINC000335044566 384823556 /nfs/dbraw/zinc/82/35/56/384823556.db2.gz KTUWLCBVKCCYEX-VHSXEESVSA-N 2 0 225.336 0.324 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368381339 384824214 /nfs/dbraw/zinc/82/42/14/384824214.db2.gz XNVNLUYSKNLHMS-ZYHUDNBSSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000648202479 384826770 /nfs/dbraw/zinc/82/67/70/384826770.db2.gz ZNHRGGNISAEKMH-UPJWGTAASA-N 2 0 245.326 0.512 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@H]([NH3+])CC(F)F)[C@H]1C ZINC000518188258 384784501 /nfs/dbraw/zinc/78/45/01/384784501.db2.gz LQOQSUQYCHQVDQ-BIIVOSGPSA-N 2 0 235.278 0.178 20 0 BCADRP COC(=O)CCCN1C[C@H]([NH3+])C[C@@H]1C ZINC000601330060 384788761 /nfs/dbraw/zinc/78/87/61/384788761.db2.gz PXAFBCYZEFPZAN-DTWKUNHWSA-N 2 0 200.282 0.361 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[NH+]2CCC1CC2 ZINC000335462972 384794056 /nfs/dbraw/zinc/79/40/56/384794056.db2.gz IUBMYEQRLIWILE-VIFPVBQESA-N 2 0 211.309 0.030 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C1([NH3+])CCCC1 ZINC000648187913 384799420 /nfs/dbraw/zinc/79/94/20/384799420.db2.gz CGMXHSBJTAXIOJ-BDAKNGLRSA-N 2 0 213.325 0.500 20 0 BCADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)CC(N)=O ZINC000308558993 384805681 /nfs/dbraw/zinc/80/56/81/384805681.db2.gz CXEMYHLHEBTWJL-RKDXNWHRSA-N 2 0 201.314 0.180 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000557190142 384872946 /nfs/dbraw/zinc/87/29/46/384872946.db2.gz DUCCLZWBXKIPII-UHFFFAOYSA-N 2 0 227.352 0.585 20 0 BCADRP CCOCC[NH2+][C@@H]1CN(CC)C[C@H]1C ZINC000308620240 384874678 /nfs/dbraw/zinc/87/46/78/384874678.db2.gz SVTCZLZNIUIIIO-GHMZBOCLSA-N 2 0 200.326 0.953 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648205617 384840060 /nfs/dbraw/zinc/84/00/60/384840060.db2.gz JTZDUZUEUOWPLJ-VHSXEESVSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@]1(C[NH3+])CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000309511830 384849574 /nfs/dbraw/zinc/84/95/74/384849574.db2.gz XOCBIHAPFAZLMS-NEPJUHHUSA-N 2 0 211.353 0.657 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[NH2+]C12CCCC2)[C@H](C)[NH3+] ZINC000648209977 384850346 /nfs/dbraw/zinc/85/03/46/384850346.db2.gz GRRAGKXUNFXWPE-OUAUKWLOSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000370785954 384859542 /nfs/dbraw/zinc/85/95/42/384859542.db2.gz GYXQOJUKGHBONQ-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP Fc1cccc(C[NH2+]C[C@@H]2CNCCO2)c1 ZINC000259018722 384955147 /nfs/dbraw/zinc/95/51/47/384955147.db2.gz YEHXXMRZDGSLFS-LBPRGKRZSA-N 2 0 224.279 0.904 20 0 BCADRP CN(C(=O)[C@H]1[NH2+]CCCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000565765478 384956789 /nfs/dbraw/zinc/95/67/89/384956789.db2.gz QXZNKYMAZAYEMB-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]C[C@H](C(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000178531023 384958774 /nfs/dbraw/zinc/95/87/74/384958774.db2.gz NUSSYEPFHJLROF-YPMHNXCESA-N 2 0 247.342 0.536 20 0 BCADRP [NH3+]C[C@@H](C(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000178531011 384958815 /nfs/dbraw/zinc/95/88/15/384958815.db2.gz NUSSYEPFHJLROF-DGCLKSJQSA-N 2 0 247.342 0.536 20 0 BCADRP C[C@@H](C(=O)N1CC[NH+](CC2CC2)CC1)[C@H](C)[NH3+] ZINC000156621341 384910642 /nfs/dbraw/zinc/91/06/42/384910642.db2.gz XVVOMLXIFLVAMB-MNOVXSKESA-N 2 0 239.363 0.524 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH+](C)C ZINC000557466888 384959136 /nfs/dbraw/zinc/95/91/36/384959136.db2.gz BIWIICGPPHSUMI-WDEREUQCSA-N 2 0 227.352 0.252 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000178281984 384915992 /nfs/dbraw/zinc/91/59/92/384915992.db2.gz NXGKWPIINIAYKW-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000156667950 384919281 /nfs/dbraw/zinc/91/92/81/384919281.db2.gz GEHISKYCWYFVMK-WDEREUQCSA-N 2 0 241.379 0.770 20 0 BCADRP C[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000257747088 384925062 /nfs/dbraw/zinc/92/50/62/384925062.db2.gz XTHQLHNXADJQIW-LLVKDONJSA-N 2 0 225.336 0.278 20 0 BCADRP C[NH2+]Cc1cccc(NC(=O)[C@@H](C)[NH3+])c1 ZINC000237107214 384928096 /nfs/dbraw/zinc/92/80/96/384928096.db2.gz WPVODTLUMIXHFU-MRVPVSSYSA-N 2 0 207.277 0.692 20 0 BCADRP Cc1nccn1C[C@H](C)C[NH2+]C[C@@H](C)O ZINC000644525336 384935911 /nfs/dbraw/zinc/93/59/11/384935911.db2.gz QIOHWYNSXMKKAB-NXEZZACHSA-N 2 0 211.309 0.798 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH3+] ZINC000368115783 384937456 /nfs/dbraw/zinc/93/74/56/384937456.db2.gz QQSYPDJNKWCHBJ-VHSXEESVSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H](C(=O)NCC[NH+](C)C)[NH+]1CC(C)C1 ZINC000557444010 384941712 /nfs/dbraw/zinc/94/17/12/384941712.db2.gz JURTXUNCJBXMAC-JTQLQIEISA-N 2 0 213.325 0.004 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000258884555 384945647 /nfs/dbraw/zinc/94/56/47/384945647.db2.gz USJPFFFPWOYMMN-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000564946996 384965091 /nfs/dbraw/zinc/96/50/91/384965091.db2.gz FQUWQMTZOCBXHY-LLVKDONJSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000644570866 384968860 /nfs/dbraw/zinc/96/88/60/384968860.db2.gz HDHBWGGKPWDLJI-NEPJUHHUSA-N 2 0 242.363 0.458 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000564947424 384969053 /nfs/dbraw/zinc/96/90/53/384969053.db2.gz CKBUWRDCOSOFNC-MNOVXSKESA-N 2 0 237.347 0.326 20 0 BCADRP CC[C@]1(C(=O)N(C)CC[NH2+]C)CCC[NH2+]1 ZINC000129036928 384974493 /nfs/dbraw/zinc/97/44/93/384974493.db2.gz JYUBULCUQXZFGF-LLVKDONJSA-N 2 0 213.325 0.196 20 0 BCADRP CCOC[C@H]1CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000565775442 384980581 /nfs/dbraw/zinc/98/05/81/384980581.db2.gz SYTOZADCVMCXMK-ZDUSSCGKSA-N 2 0 241.379 0.250 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000036999058 384984301 /nfs/dbraw/zinc/98/43/01/384984301.db2.gz JKKAVOQOJQJRRI-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H](C(=O)NCC[N@H+](C)C1CCCC1)[C@H](C)[NH3+] ZINC000156916241 385022352 /nfs/dbraw/zinc/02/23/52/385022352.db2.gz VZARLHDVIPQDNU-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000226398821 385006601 /nfs/dbraw/zinc/00/66/01/385006601.db2.gz ZGOLJVGELNXKHG-GXFFZTMASA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](CNC(=O)C1CC[NH2+]CC1)[N@H+](C)C1CC1 ZINC000226398465 385007477 /nfs/dbraw/zinc/00/74/77/385007477.db2.gz FNEAFFQNOFWTIA-SNVBAGLBSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[N@H+](C)C1CC1 ZINC000226399249 385007504 /nfs/dbraw/zinc/00/75/04/385007504.db2.gz ORXXPUXECONJMZ-GXSJLCMTSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@@H](CNC(=O)C(C)(C)C[NH3+])[N@H+](C)C1CC1 ZINC000226398877 385007831 /nfs/dbraw/zinc/00/78/31/385007831.db2.gz IAOMCVWFVBYGKY-VIFPVBQESA-N 2 0 227.352 0.570 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000226394890 385009322 /nfs/dbraw/zinc/00/93/22/385009322.db2.gz AUGYUSCLOPLOFF-JQWIXIFHSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]1C[C@@H](CN2CC[NH2+]C[C@@H]2C(F)F)CC[NH2+]1 ZINC000516650340 385010226 /nfs/dbraw/zinc/01/02/26/385010226.db2.gz KJHGXPIDFSTOEI-OUAUKWLOSA-N 2 0 247.333 0.913 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NCCCS(C)(=O)=O ZINC000404730394 385051333 /nfs/dbraw/zinc/05/13/33/385051333.db2.gz BPGNOCMDOWSMGD-BDAKNGLRSA-N 2 0 234.365 0.137 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)[NH+](C)C ZINC000646917149 385059038 /nfs/dbraw/zinc/05/90/38/385059038.db2.gz YLYFLQNXPHPMIS-DCAQKATOSA-N 2 0 225.336 0.099 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC[N@H+](C)CCOC ZINC000449118896 385062677 /nfs/dbraw/zinc/06/26/77/385062677.db2.gz ZWWDUXAILSSDPU-NSHDSACASA-N 2 0 245.367 0.069 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)[NH+](C)C ZINC000646937796 385068951 /nfs/dbraw/zinc/06/89/51/385068951.db2.gz SSPBDLUECQIRPY-QJPTWQEYSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000332078770 385079980 /nfs/dbraw/zinc/07/99/80/385079980.db2.gz YDXBKDWFZTTWBT-OPRDCNLKSA-N 2 0 200.326 0.863 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)[C@@H]3CC[NH2+]C3)[C@@H]2C1 ZINC000564931629 385081368 /nfs/dbraw/zinc/08/13/68/385081368.db2.gz JVKNFRXJFDQDJP-QJPTWQEYSA-N 2 0 237.347 0.149 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646945279 385081631 /nfs/dbraw/zinc/08/16/31/385081631.db2.gz HRKFAFJMLLUFRS-ZMLRMANQSA-N 2 0 239.363 0.476 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH2+]C3)[C@H]2C1 ZINC000564931632 385081839 /nfs/dbraw/zinc/08/18/39/385081839.db2.gz JVKNFRXJFDQDJP-UTUOFQBUSA-N 2 0 237.347 0.149 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)O)CC[N@@H+]1C ZINC000156296578 385030820 /nfs/dbraw/zinc/03/08/20/385030820.db2.gz JVTARRACACTBAJ-ZJUUUORDSA-N 2 0 200.326 0.830 20 0 BCADRP Cc1cnn(CCN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000310406169 385045367 /nfs/dbraw/zinc/04/53/67/385045367.db2.gz OFRCXLWAZYWEHF-CHWSQXEVSA-N 2 0 234.347 0.733 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000646956089 385083559 /nfs/dbraw/zinc/08/35/59/385083559.db2.gz UXAZVVJOVHDIKY-NXEZZACHSA-N 2 0 225.336 0.454 20 0 BCADRP [NH3+][C@@H](C(=O)N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000646983847 385108401 /nfs/dbraw/zinc/10/84/01/385108401.db2.gz XDVNEJFACAHLQE-QWHCGFSZSA-N 2 0 247.342 0.945 20 0 BCADRP [NH3+][C@@H](C(=O)N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000646983845 385108811 /nfs/dbraw/zinc/10/88/11/385108811.db2.gz XDVNEJFACAHLQE-CHWSQXEVSA-N 2 0 247.342 0.945 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+]CC1 ZINC000646984905 385111921 /nfs/dbraw/zinc/11/19/21/385111921.db2.gz CWHJDRHFUHXVJP-NWDGAFQWSA-N 2 0 239.363 0.777 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000359252659 385113859 /nfs/dbraw/zinc/11/38/59/385113859.db2.gz YLSZIIPEHLBGEA-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC1CC[NH+](C)CC1 ZINC000157216962 385114130 /nfs/dbraw/zinc/11/41/30/385114130.db2.gz KEUUDIOARBLLSM-GFCCVEGCSA-N 2 0 241.379 0.818 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC000646991669 385125430 /nfs/dbraw/zinc/12/54/30/385125430.db2.gz JSGYIHAAXXDNEK-SECBINFHSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000646998059 385128609 /nfs/dbraw/zinc/12/86/09/385128609.db2.gz FSVYRNILOOPCIB-BJDJZHNGSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000646998093 385129605 /nfs/dbraw/zinc/12/96/05/385129605.db2.gz LGXNFZWKTPVBJH-VLEAKVRGSA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000646998112 385130839 /nfs/dbraw/zinc/13/08/39/385130839.db2.gz OXRSYXNQBCYYFP-QJPTWQEYSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000646998114 385132802 /nfs/dbraw/zinc/13/28/02/385132802.db2.gz OXRSYXNQBCYYFP-UTUOFQBUSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368226165 385133235 /nfs/dbraw/zinc/13/32/35/385133235.db2.gz MVFTVTHGMVRHNQ-DCAQKATOSA-N 2 0 225.336 0.180 20 0 BCADRP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH3+] ZINC000647009789 385135429 /nfs/dbraw/zinc/13/54/29/385135429.db2.gz IYRRTQRTTOUAAZ-NWDGAFQWSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000647001776 385136746 /nfs/dbraw/zinc/13/67/46/385136746.db2.gz YEJXWUPCUIOXNE-IJLUTSLNSA-N 2 0 239.363 0.490 20 0 BCADRP COCCOCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404887993 385137032 /nfs/dbraw/zinc/13/70/32/385137032.db2.gz JRULVOSNHZZWDG-VHSXEESVSA-N 2 0 216.325 0.365 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000647001841 385138062 /nfs/dbraw/zinc/13/80/62/385138062.db2.gz AVBJOUZARDYZMP-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H]1CN(C(=O)C2(C)C[NH2+]C2)CC[C@H]1[NH3+] ZINC000647005485 385139660 /nfs/dbraw/zinc/13/96/60/385139660.db2.gz AMYXQRJRYZAAAO-NXEZZACHSA-N 2 0 225.336 0.182 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)CC[C@@H]1[NH3+] ZINC000647015239 385140314 /nfs/dbraw/zinc/14/03/14/385140314.db2.gz KYFOKAYIYYQMOU-KKOKHZNYSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000646956091 385085831 /nfs/dbraw/zinc/08/58/31/385085831.db2.gz UXAZVVJOVHDIKY-VHSXEESVSA-N 2 0 225.336 0.454 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000646961032 385086943 /nfs/dbraw/zinc/08/69/43/385086943.db2.gz PUANHMLVGLYCMX-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@H]1CN(C(=O)C2([NH3+])CCC2)CC[C@H]1[NH3+] ZINC000647006129 385140587 /nfs/dbraw/zinc/14/05/87/385140587.db2.gz LJDWMCACCGZWTP-VHSXEESVSA-N 2 0 225.336 0.454 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)CC[C@@H]1[NH3+] ZINC000647005501 385140846 /nfs/dbraw/zinc/14/08/46/385140846.db2.gz AXSDTHJKXVMPIU-ADEWGFFLSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)CC[NH2+]1 ZINC000647018265 385142815 /nfs/dbraw/zinc/14/28/15/385142815.db2.gz XFWVFSASUSNMTF-UTLUCORTSA-N 2 0 225.336 0.241 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000646976692 385105562 /nfs/dbraw/zinc/10/55/62/385105562.db2.gz DIIQBKLVUCZOAC-KOLCDFICSA-N 2 0 223.320 0.020 20 0 BCADRP O=C(CC1CC[NH2+]CC1)NCC1=CC[NH2+]CC1 ZINC000646976789 385106728 /nfs/dbraw/zinc/10/67/28/385106728.db2.gz ODOSSAGIYOIEOF-UHFFFAOYSA-N 2 0 237.347 0.412 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000564956266 385184224 /nfs/dbraw/zinc/18/42/24/385184224.db2.gz IMWNOMSURWBQFF-MMWGEVLESA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647051031 385186607 /nfs/dbraw/zinc/18/66/07/385186607.db2.gz HZHYGOUZHBOBJL-ADEWGFFLSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647055143 385195470 /nfs/dbraw/zinc/19/54/70/385195470.db2.gz NBKJBXKRNHTGRC-SNVBAGLBSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@@H](Cn1ccnc1)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062891436 385196056 /nfs/dbraw/zinc/19/60/56/385196056.db2.gz OWMDDPWFIOMYIH-JQWIXIFHSA-N 2 0 236.319 0.387 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCOCC(F)F ZINC000404882361 385143105 /nfs/dbraw/zinc/14/31/05/385143105.db2.gz GQSAQRUUAHUNIP-SFYZADRCSA-N 2 0 222.279 0.984 20 0 BCADRP C[C@H]1C[C@H](NC(=O)CC2([NH3+])CCC2)CC[NH2+]1 ZINC000647018140 385143201 /nfs/dbraw/zinc/14/32/01/385143201.db2.gz ILDQPXYOJTYFLJ-VHSXEESVSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000647018124 385144180 /nfs/dbraw/zinc/14/41/80/385144180.db2.gz HJOGHCBODYGFJB-DBIOUOCHSA-N 2 0 225.336 0.241 20 0 BCADRP O=C(NCCNc1cc[nH+]cc1)C1CC[NH2+]CC1 ZINC000569336151 385145623 /nfs/dbraw/zinc/14/56/23/385145623.db2.gz UPJMCLDLISDLGO-UHFFFAOYSA-N 2 0 248.330 0.031 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000647020797 385149189 /nfs/dbraw/zinc/14/91/89/385149189.db2.gz MVPATAPCZLIGKR-MWLCHTKSSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000647020795 385149539 /nfs/dbraw/zinc/14/95/39/385149539.db2.gz MVPATAPCZLIGKR-GXSJLCMTSA-N 2 0 227.352 0.748 20 0 BCADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(C1CC1)C1CC[NH2+]CC1 ZINC000647643607 385154332 /nfs/dbraw/zinc/15/43/32/385154332.db2.gz KLURGZSHQFESHC-ITGUQSILSA-N 2 0 249.358 0.195 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000647643738 385154795 /nfs/dbraw/zinc/15/47/95/385154795.db2.gz QKHGVBBFIQHKQA-LLVKDONJSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000647022840 385156097 /nfs/dbraw/zinc/15/60/97/385156097.db2.gz HXVAJJKTSYGZFU-KCJUWKMLSA-N 2 0 239.294 0.331 20 0 BCADRP C[NH+](C)CCC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000178192639 385200394 /nfs/dbraw/zinc/20/03/94/385200394.db2.gz BQOUGMPLBHBTTP-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H](C)[NH3+] ZINC000647023317 385157061 /nfs/dbraw/zinc/15/70/61/385157061.db2.gz WYUHFTVPZPSIJH-GXSJLCMTSA-N 2 0 221.304 0.458 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000647030258 385161858 /nfs/dbraw/zinc/16/18/58/385161858.db2.gz KLECYOLYRLCAGD-NSHDSACASA-N 2 0 225.336 0.455 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246385320 385162739 /nfs/dbraw/zinc/16/27/39/385162739.db2.gz BNWBCLOOZVWAIW-WOPDTQHZSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000647030295 385162969 /nfs/dbraw/zinc/16/29/69/385162969.db2.gz MXARHJKXXFKQSY-JQWIXIFHSA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000647030177 385163609 /nfs/dbraw/zinc/16/36/09/385163609.db2.gz GWSUIFHFHBDFDP-ZYHUDNBSSA-N 2 0 227.352 0.557 20 0 BCADRP Cc1cc(N2CCN(c3ncc[nH]3)CC2)ncn1 ZINC000408412507 385165018 /nfs/dbraw/zinc/16/50/18/385165018.db2.gz QRKYPWZATRSNSY-UHFFFAOYSA-N 2 0 244.302 0.835 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647055123 385201060 /nfs/dbraw/zinc/20/10/60/385201060.db2.gz MDVCZULJZSCIGU-NSHDSACASA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000647036200 385172763 /nfs/dbraw/zinc/17/27/63/385172763.db2.gz XRSLXOMPXBLXRV-RCWTZXSCSA-N 2 0 243.326 0.143 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)c1ccc(C[NH3+])o1 ZINC000647069035 385214746 /nfs/dbraw/zinc/21/47/46/385214746.db2.gz PCTVBIBHBCGHLT-SSDOTTSWSA-N 2 0 211.265 0.205 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647068673 385214975 /nfs/dbraw/zinc/21/49/75/385214975.db2.gz GZCSMBSHFAABME-FSZOTQKASA-N 2 0 239.363 0.474 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(C[NH3+])o1 ZINC000647068715 385215056 /nfs/dbraw/zinc/21/50/56/385215056.db2.gz LFPWGFMEXQHKKH-RQJHMYQMSA-N 2 0 211.265 0.204 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)c1ccc(C[NH3+])o1 ZINC000647069036 385215907 /nfs/dbraw/zinc/21/59/07/385215907.db2.gz PCTVBIBHBCGHLT-ZETCQYMHSA-N 2 0 211.265 0.205 20 0 BCADRP [NH3+]CC[C@H](NC(=O)CC1([NH3+])CCC1)C(F)F ZINC000647072045 385219718 /nfs/dbraw/zinc/21/97/18/385219718.db2.gz YHWLIQXMIWXPKG-ZETCQYMHSA-N 2 0 235.278 0.357 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000238154097 385224868 /nfs/dbraw/zinc/22/48/68/385224868.db2.gz DXRPXNHEHUFGPH-MNOVXSKESA-N 2 0 225.336 0.102 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246747294 385227313 /nfs/dbraw/zinc/22/73/13/385227313.db2.gz ZMLYDHBTEYQVGX-DCAQKATOSA-N 2 0 227.352 0.665 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000238554009 385231637 /nfs/dbraw/zinc/23/16/37/385231637.db2.gz AFUDBZBULFXAQL-JTQLQIEISA-N 2 0 208.309 0.971 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404996615 385232945 /nfs/dbraw/zinc/23/29/45/385232945.db2.gz XCOQBVZLWQTXIJ-WDEREUQCSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@H]1CN(C)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000108356771 385233281 /nfs/dbraw/zinc/23/32/81/385233281.db2.gz NUVGIMCXALLFRY-NSHDSACASA-N 2 0 211.353 0.622 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)CC1([NH3+])CCC1 ZINC000647081166 385241022 /nfs/dbraw/zinc/24/10/22/385241022.db2.gz MSNNUHLBPYQDKX-JTQLQIEISA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000647081204 385241474 /nfs/dbraw/zinc/24/14/74/385241474.db2.gz QLAWBGDRKRERGQ-VIFPVBQESA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000647648879 385250981 /nfs/dbraw/zinc/25/09/81/385250981.db2.gz RUZJJSCVZSKPFX-HBNTYKKESA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246919051 385255107 /nfs/dbraw/zinc/25/51/07/385255107.db2.gz MOBNGBUJBDDESE-SDDRHHMPSA-N 2 0 237.347 0.420 20 0 BCADRP C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000308965152 385315811 /nfs/dbraw/zinc/31/58/11/385315811.db2.gz UYKFYRWOCVEBEN-DDHJBXDOSA-N 2 0 212.337 0.830 20 0 BCADRP Cn1nccc1C[NH2+]CCCC[NH+](C)C ZINC000045663918 385272953 /nfs/dbraw/zinc/27/29/53/385272953.db2.gz BIEBWGZBFYLSKH-UHFFFAOYSA-N 2 0 210.325 0.852 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000647650207 385285244 /nfs/dbraw/zinc/28/52/44/385285244.db2.gz RVFKLANAFHPZLP-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000344575779 385287966 /nfs/dbraw/zinc/28/79/66/385287966.db2.gz CAOOMKVBZHLABT-LBPRGKRZSA-N 2 0 242.363 0.459 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000648152365 385291557 /nfs/dbraw/zinc/29/15/57/385291557.db2.gz SZVSNPMAAPITJO-GHMZBOCLSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)C[C@H]([NH3+])CN(C)CCN1CC[NH2+]CC1 ZINC000647492725 385298571 /nfs/dbraw/zinc/29/85/71/385298571.db2.gz VIOZFBOWIBMSAE-ZDUSSCGKSA-N 2 0 242.411 0.197 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000130979401 385300158 /nfs/dbraw/zinc/30/01/58/385300158.db2.gz BKWOIULJLSIDFI-NEPJUHHUSA-N 2 0 241.379 0.641 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000164989866 385333328 /nfs/dbraw/zinc/33/33/28/385333328.db2.gz HRFNAELRMPNEAW-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H](C(=O)N1CCC[N@H+](C)CC1)[C@H](C)[NH3+] ZINC000165055296 385340441 /nfs/dbraw/zinc/34/04/41/385340441.db2.gz DWKBEMISORJQTD-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000165153251 385355166 /nfs/dbraw/zinc/35/51/66/385355166.db2.gz GMOYIRSGNOWZFR-WDEREUQCSA-N 2 0 227.352 0.522 20 0 BCADRP COCCCC[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000397461372 385356415 /nfs/dbraw/zinc/35/64/15/385356415.db2.gz QGIVABUGMVIQPA-ZDUSSCGKSA-N 2 0 244.379 0.800 20 0 BCADRP C[C@@H]1C[C@H](CN(C)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000647494980 385362643 /nfs/dbraw/zinc/36/26/43/385362643.db2.gz BGSXDCKIPCIAAZ-UTUOFQBUSA-N 2 0 211.353 0.668 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000309014961 385370362 /nfs/dbraw/zinc/37/03/62/385370362.db2.gz UAEYGDSEPLLSJH-DTWKUNHWSA-N 2 0 201.314 0.213 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000309014963 385370652 /nfs/dbraw/zinc/37/06/52/385370652.db2.gz UAEYGDSEPLLSJH-IUCAKERBSA-N 2 0 201.314 0.213 20 0 BCADRP CC[NH+](CC)CCN[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000309040629 385376875 /nfs/dbraw/zinc/37/68/75/385376875.db2.gz KZYKSHFBPYXIFQ-NWDGAFQWSA-N 2 0 213.369 0.868 20 0 BCADRP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CN(C)CCN1C ZINC000309094707 385405859 /nfs/dbraw/zinc/40/58/59/385405859.db2.gz CJVAPZAFPAZHGM-GRYCIOLGSA-N 2 0 211.353 0.478 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(C[NH3+])o1 ZINC000193661592 385406589 /nfs/dbraw/zinc/40/65/89/385406589.db2.gz CCPKQIMUKHFDOF-WPRPVWTQSA-N 2 0 237.303 0.609 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCN2CCC2)CC[N@@H+]1C ZINC000309098293 385407023 /nfs/dbraw/zinc/40/70/23/385407023.db2.gz DOYRWRDJQGZENF-VXGBXAGGSA-N 2 0 211.353 0.764 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644064494 385412804 /nfs/dbraw/zinc/41/28/04/385412804.db2.gz LLVMXCIMZZBVSL-GXFFZTMASA-N 2 0 241.379 0.864 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)/C=C\C[NH+](C)C ZINC000492648291 385412883 /nfs/dbraw/zinc/41/28/83/385412883.db2.gz NWDHDJUFNMADCQ-WAYWQWQTSA-N 2 0 239.363 0.657 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000644065950 385413382 /nfs/dbraw/zinc/41/33/82/385413382.db2.gz ZEWGQWVQNATJAY-GARJFASQSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000110374302 385413582 /nfs/dbraw/zinc/41/35/82/385413582.db2.gz UPBDSHCVTWSCDQ-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000644065951 385413783 /nfs/dbraw/zinc/41/37/83/385413783.db2.gz ZEWGQWVQNATJAY-GMTAPVOTSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644065461 385414464 /nfs/dbraw/zinc/41/44/64/385414464.db2.gz PYEMKDRCMVNTDW-JOYOIKCWSA-N 2 0 227.352 0.474 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)N(C)CCC[NH3+] ZINC000644067426 385416558 /nfs/dbraw/zinc/41/65/58/385416558.db2.gz UREFHXMFZFJCHY-UHFFFAOYSA-N 2 0 249.358 0.869 20 0 BCADRP CC(C)[C@@H](C(=O)N(C)CCC[NH3+])[C@H](C)[NH3+] ZINC000644067294 385416666 /nfs/dbraw/zinc/41/66/66/385416666.db2.gz NTHGOSWWYUGQFZ-VHSXEESVSA-N 2 0 215.341 0.413 20 0 BCADRP [NH3+][C@H](CC(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000178806610 385420297 /nfs/dbraw/zinc/42/02/97/385420297.db2.gz QBRLMMLIUSETGG-QWHCGFSZSA-N 2 0 247.342 0.945 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644077981 385423157 /nfs/dbraw/zinc/42/31/57/385423157.db2.gz BNHHJNHZGXTRCV-VIFPVBQESA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000644089817 385441268 /nfs/dbraw/zinc/44/12/68/385441268.db2.gz NKDDZMNYBDDXSR-DTWKUNHWSA-N 2 0 247.289 0.052 20 0 BCADRP CO[C@H](C)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182377410 385443980 /nfs/dbraw/zinc/44/39/80/385443980.db2.gz WIOBOVKOYYHALU-CYBMUJFWSA-N 2 0 243.395 0.591 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N(C1CC1)C1CC[NH2+]CC1 ZINC000644095315 385446127 /nfs/dbraw/zinc/44/61/27/385446127.db2.gz HOVWGCYGKGODRM-LLVKDONJSA-N 2 0 223.320 0.091 20 0 BCADRP CN(C(=O)[C@H]1C[NH2+]CCC1(F)F)[C@H]1CC[NH2+]C1 ZINC000644086011 385432126 /nfs/dbraw/zinc/43/21/26/385432126.db2.gz GKSLKCJWGUJUBR-DTWKUNHWSA-N 2 0 247.289 0.052 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000644104181 385478022 /nfs/dbraw/zinc/47/80/22/385478022.db2.gz LHFLCOTZHIOGAS-IVZWLZJFSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000644104182 385478167 /nfs/dbraw/zinc/47/81/67/385478167.db2.gz LHFLCOTZHIOGAS-LPEHRKFASA-N 2 0 225.336 0.180 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCn1cncn1 ZINC000309210011 385479432 /nfs/dbraw/zinc/47/94/32/385479432.db2.gz NQDJZCGKVCEOMT-MNOVXSKESA-N 2 0 223.324 0.208 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000644107467 385481310 /nfs/dbraw/zinc/48/13/10/385481310.db2.gz POFWIEJTPNNTFW-GXFFZTMASA-N 2 0 239.363 0.490 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000644107469 385481463 /nfs/dbraw/zinc/48/14/63/385481463.db2.gz POFWIEJTPNNTFW-ZWNOBZJWSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364581030 385482809 /nfs/dbraw/zinc/48/28/09/385482809.db2.gz PWQSEXXBLWFXAF-ZPFDUUQYSA-N 2 0 237.347 0.230 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000257656432 385486315 /nfs/dbraw/zinc/48/63/15/385486315.db2.gz CKKANVLPXNFTAC-RYUDHWBXSA-N 2 0 239.363 0.444 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000257732336 385488806 /nfs/dbraw/zinc/48/88/06/385488806.db2.gz VETYJVMDNIEOIV-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@]([NH3+])(C(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000195231750 385463228 /nfs/dbraw/zinc/46/32/28/385463228.db2.gz DVPWNEUZONVSEJ-BXUZGUMPSA-N 2 0 247.342 0.668 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000257708759 385490575 /nfs/dbraw/zinc/49/05/75/385490575.db2.gz QCQLKXRBGPWSME-NXEZZACHSA-N 2 0 213.325 0.039 20 0 BCADRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CCOC1 ZINC000336724968 385497716 /nfs/dbraw/zinc/49/77/16/385497716.db2.gz ZSKJWPFLINUVSH-QWHCGFSZSA-N 2 0 244.379 0.969 20 0 BCADRP C[C@]1(C[NH3+])CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000336268643 385501628 /nfs/dbraw/zinc/50/16/28/385501628.db2.gz ZUXOZINYIKLTSO-VXGBXAGGSA-N 2 0 211.353 0.657 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000449070638 385506238 /nfs/dbraw/zinc/50/62/38/385506238.db2.gz DMVVTDUUODQNLP-QJPTWQEYSA-N 2 0 239.363 0.762 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000405345655 385507263 /nfs/dbraw/zinc/50/72/63/385507263.db2.gz GIMSMPSWNVWMQG-UWVGGRQHSA-N 2 0 208.309 0.668 20 0 BCADRP CC1(C)[C@H]([NH2+]CCc2cn[nH]c2)C[C@@H]1[NH3+] ZINC000405345657 385507419 /nfs/dbraw/zinc/50/74/19/385507419.db2.gz GIMSMPSWNVWMQG-VHSXEESVSA-N 2 0 208.309 0.668 20 0 BCADRP [NH3+]C1(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000644111637 385489009 /nfs/dbraw/zinc/48/90/09/385489009.db2.gz RXMMRLRGWNWPAI-UHFFFAOYSA-N 2 0 231.299 0.397 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NCC2CC[NH2+]CC2)C1 ZINC000257701291 385489157 /nfs/dbraw/zinc/48/91/57/385489157.db2.gz ODRYIYUOQFVUKB-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000364870287 385532404 /nfs/dbraw/zinc/53/24/04/385532404.db2.gz ATDJFUGQGKCXAU-UMNHJUIQSA-N 2 0 243.326 0.274 20 0 BCADRP C[C@@]1(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CCC[NH2+]1 ZINC000644145637 385536730 /nfs/dbraw/zinc/53/67/30/385536730.db2.gz MTACGFFFGCCZDZ-PWSUYJOCSA-N 2 0 237.347 0.387 20 0 BCADRP C[C@@H](C(=O)N(C)C1(C[NH3+])CCC1)[C@H](C)[NH3+] ZINC000644139670 385524267 /nfs/dbraw/zinc/52/42/67/385524267.db2.gz JNGFDNYBZNYOAQ-BDAKNGLRSA-N 2 0 213.325 0.310 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1Cc1nccn1C ZINC000107092038 385555415 /nfs/dbraw/zinc/55/54/15/385555415.db2.gz FWMWGDQHPRZSTQ-LLVKDONJSA-N 2 0 222.336 0.994 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000309395667 385561335 /nfs/dbraw/zinc/56/13/35/385561335.db2.gz GOAVCWCDUJQHFK-BDAKNGLRSA-N 2 0 213.325 0.357 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000054075432 385594074 /nfs/dbraw/zinc/59/40/74/385594074.db2.gz PTIGUDVBCFPXCP-NSHDSACASA-N 2 0 227.352 0.395 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000366558945 385596775 /nfs/dbraw/zinc/59/67/75/385596775.db2.gz XENVSZSOYFZVBM-YTWAJWBKSA-N 2 0 243.326 0.320 20 0 BCADRP CO[C@@H](C)[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309467454 385597722 /nfs/dbraw/zinc/59/77/22/385597722.db2.gz PTYSVJKCNFYGLK-MNOVXSKESA-N 2 0 230.352 0.456 20 0 BCADRP CO[C@@H](C)[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309467455 385597856 /nfs/dbraw/zinc/59/78/56/385597856.db2.gz PTYSVJKCNFYGLK-QWRGUYRKSA-N 2 0 230.352 0.456 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000309474412 385604093 /nfs/dbraw/zinc/60/40/93/385604093.db2.gz RPYRHMRBQRAHPP-GUBZILKMSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000647711454 385613811 /nfs/dbraw/zinc/61/38/11/385613811.db2.gz USFGDSBQEXNYRO-IUCAKERBSA-N 2 0 247.289 0.052 20 0 BCADRP C[C@@H](CO)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000647909322 385621864 /nfs/dbraw/zinc/62/18/64/385621864.db2.gz CHQHQPZJMWYZQD-JTQLQIEISA-N 2 0 230.352 0.192 20 0 BCADRP C[C@H](C[C@H]1CCC[NH2+]1)NC[C@H]1CCC[NH2+]1 ZINC000414849164 385624800 /nfs/dbraw/zinc/62/48/00/385624800.db2.gz QWACZJDYBAKGON-IJLUTSLNSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H]1CCC[NH2+]1 ZINC000414849166 385625238 /nfs/dbraw/zinc/62/52/38/385625238.db2.gz QWACZJDYBAKGON-WOPDTQHZSA-N 2 0 211.353 0.859 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000336680833 385634230 /nfs/dbraw/zinc/63/42/30/385634230.db2.gz RIGGCOQNXYVBMI-MWLCHTKSSA-N 2 0 213.325 0.086 20 0 BCADRP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000644820553 385608552 /nfs/dbraw/zinc/60/85/52/385608552.db2.gz XPIXCAWIOGATKP-SDDRHHMPSA-N 2 0 237.347 0.243 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000309485923 385612872 /nfs/dbraw/zinc/61/28/72/385612872.db2.gz GKVYNIVMOXTGPK-NXEZZACHSA-N 2 0 213.325 0.243 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]CCC1CC[NH+](C)CC1 ZINC000309506957 385639829 /nfs/dbraw/zinc/63/98/29/385639829.db2.gz WCYDHAXQDQWDSQ-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH+](C)CC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000340075462 385640115 /nfs/dbraw/zinc/64/01/15/385640115.db2.gz PRYNVMMGQKSJDJ-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000309514282 385647983 /nfs/dbraw/zinc/64/79/83/385647983.db2.gz YFDBYBRBRVPDKF-MWLCHTKSSA-N 2 0 215.341 0.603 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC[C@@H]1CCC[NH2+]C1 ZINC000414856758 385717292 /nfs/dbraw/zinc/71/72/92/385717292.db2.gz ZLBDXJJYSBGFDQ-VXGBXAGGSA-N 3 0 213.369 0.949 20 0 BCADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCC[NH2+]2)CC1 ZINC000414853279 385686126 /nfs/dbraw/zinc/68/61/26/385686126.db2.gz XIFJGGXBJQWPJT-MCIGGMRASA-N 3 0 211.353 0.846 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645220955 385686583 /nfs/dbraw/zinc/68/65/83/385686583.db2.gz DNEVADHEJTWTRB-LLVKDONJSA-N 2 0 248.330 0.468 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000337502504 385687359 /nfs/dbraw/zinc/68/73/59/385687359.db2.gz DWGSFBZJCASDLQ-MXWKQRLJSA-N 2 0 227.352 0.556 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CCOC)[C@@H](C)C1 ZINC000221709968 385688579 /nfs/dbraw/zinc/68/85/79/385688579.db2.gz HMFIFEJCTXNYAI-QWRGUYRKSA-N 2 0 200.326 0.953 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000645241372 385697398 /nfs/dbraw/zinc/69/73/98/385697398.db2.gz OATPQQFRIALQHJ-SNVBAGLBSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+]C[C@H](C)CN[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000414851780 385667386 /nfs/dbraw/zinc/66/73/86/385667386.db2.gz PQVPHMXUQRAQMT-SDDRHHMPSA-N 2 0 213.369 0.962 20 0 BCADRP COC[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647793815 385731532 /nfs/dbraw/zinc/73/15/32/385731532.db2.gz JFVDPBIYKOISHV-NOOOWODRSA-N 2 0 212.337 0.999 20 0 BCADRP CCCCC[NH+]1CCC(O)(C[NH3+])CC1 ZINC000071508099 385741912 /nfs/dbraw/zinc/74/19/12/385741912.db2.gz YLKOIWRQFWGQRG-UHFFFAOYSA-N 2 0 200.326 0.962 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061645167 385743118 /nfs/dbraw/zinc/74/31/18/385743118.db2.gz KWQDRHCPSQJVEI-VHSXEESVSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)OCCO)CC[N@@H+]1C ZINC000336724646 385751474 /nfs/dbraw/zinc/75/14/74/385751474.db2.gz USGLFFNXSZESFI-VXGBXAGGSA-N 2 0 244.379 0.846 20 0 BCADRP COCC[C@H](C)[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000336655916 385774067 /nfs/dbraw/zinc/77/40/67/385774067.db2.gz NZTXYMXNSKAKMS-GARJFASQSA-N 2 0 200.326 0.951 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647799829 385799737 /nfs/dbraw/zinc/79/97/37/385799737.db2.gz QHUMLYMKUFNDAR-NJMOYASZSA-N 2 0 240.347 0.378 20 0 BCADRP C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)NC1CC1 ZINC000647799460 385799805 /nfs/dbraw/zinc/79/98/05/385799805.db2.gz HKZZVGDUEFPEEK-NQBHXWOUSA-N 2 0 223.364 0.716 20 0 BCADRP CC[NH2+]CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647799983 385802626 /nfs/dbraw/zinc/80/26/26/385802626.db2.gz VWWORJNWFXPBMW-YNEHKIRRSA-N 3 0 225.380 0.964 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000340157387 385804760 /nfs/dbraw/zinc/80/47/60/385804760.db2.gz WEWTUXBSCYNQNY-DCAQKATOSA-N 2 0 227.352 0.700 20 0 BCADRP CN(C[C@H](O)C[N@H+](C)CCCCCO)C1CC1 ZINC000336716228 385813542 /nfs/dbraw/zinc/81/35/42/385813542.db2.gz PWPDEVNNIXNTFH-CYBMUJFWSA-N 2 0 244.379 0.536 20 0 BCADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)C1CCC1 ZINC000414878598 385826185 /nfs/dbraw/zinc/82/61/85/385826185.db2.gz HONWDJMZJSJFND-NSHDSACASA-N 2 0 211.353 0.670 20 0 BCADRP COC[C@]1(CN[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000414951052 385827920 /nfs/dbraw/zinc/82/79/20/385827920.db2.gz GIADPQUZIODAOK-NWDGAFQWSA-N 2 0 227.352 0.097 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000521434421 385829169 /nfs/dbraw/zinc/82/91/69/385829169.db2.gz XNKBIOONMUIGPB-LPEHRKFASA-N 2 0 225.336 0.323 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000261730184 385829363 /nfs/dbraw/zinc/82/93/63/385829363.db2.gz LNTSLGZBYYIKQS-ZYHUDNBSSA-N 2 0 235.331 0.719 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000261730181 385829430 /nfs/dbraw/zinc/82/94/30/385829430.db2.gz LNTSLGZBYYIKQS-CMPLNLGQSA-N 2 0 235.331 0.719 20 0 BCADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@@H]1CO[C@H](C)C1 ZINC000647804251 385841138 /nfs/dbraw/zinc/84/11/38/385841138.db2.gz MRMBPIUUUWZDPR-YBXAARCKSA-N 2 0 228.336 0.506 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000262434277 385845235 /nfs/dbraw/zinc/84/52/35/385845235.db2.gz LBBWVXNLTHRHFD-STQMWFEESA-N 2 0 247.342 0.410 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000262437005 385845284 /nfs/dbraw/zinc/84/52/84/385845284.db2.gz MBJJNFKXQHNFJS-OLZOCXBDSA-N 2 0 247.342 0.945 20 0 BCADRP C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccccc1)[C@H](C)[NH3+] ZINC000262439671 385846349 /nfs/dbraw/zinc/84/63/49/385846349.db2.gz AMADGMSRLJEWGB-JFGNBEQYSA-N 2 0 235.331 0.786 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000647806865 385849383 /nfs/dbraw/zinc/84/93/83/385849383.db2.gz AJCZNPZWSUTRNU-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc2c(c1)nnn2C ZINC000414871554 385853697 /nfs/dbraw/zinc/85/36/97/385853697.db2.gz DCVLCRIYPCWLFY-SECBINFHSA-N 2 0 233.319 0.653 20 0 BCADRP CCCn1cc(C[NH2+]C[C@H](C)C[NH3+])cn1 ZINC000414871127 385854259 /nfs/dbraw/zinc/85/42/59/385854259.db2.gz CYPDYWXFSXWFNK-SNVBAGLBSA-N 2 0 210.325 0.978 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CCCC[C@@H]1O ZINC000518781834 385792267 /nfs/dbraw/zinc/79/22/67/385792267.db2.gz YYGLRWKLCCAGJF-BJDJZHNGSA-N 2 0 212.337 0.959 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000294707635 385885446 /nfs/dbraw/zinc/88/54/46/385885446.db2.gz HDZOJDIRKSHMBO-TZMCWYRMSA-N 2 0 247.342 0.681 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000294733963 385889866 /nfs/dbraw/zinc/88/98/66/385889866.db2.gz JDLLKSHZFLITMF-OLZOCXBDSA-N 2 0 247.342 0.549 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000294733970 385890121 /nfs/dbraw/zinc/89/01/21/385890121.db2.gz JDLLKSHZFLITMF-STQMWFEESA-N 2 0 247.342 0.549 20 0 BCADRP Cc1cc(NC(=O)[C@H](C)N(C)CCC[NH3+])on1 ZINC000647849325 385901370 /nfs/dbraw/zinc/90/13/70/385901370.db2.gz PEJBWUGFJWBTRA-VIFPVBQESA-N 2 0 240.307 0.591 20 0 BCADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647846863 385906235 /nfs/dbraw/zinc/90/62/35/385906235.db2.gz DDESSKCOJZOJOT-ZIQFBCGOSA-N 2 0 235.331 0.090 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000647858089 385914345 /nfs/dbraw/zinc/91/43/45/385914345.db2.gz RSLIKGXBESZHPM-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP Cc1cc(NC[C@H]2C[NH2+]CCN2C)cc[nH+]1 ZINC000394726487 385918091 /nfs/dbraw/zinc/91/80/91/385918091.db2.gz FFUOTXCJYODZBY-GFCCVEGCSA-N 2 0 220.320 0.127 20 0 BCADRP CCC[NH2+]CC[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414877484 385920752 /nfs/dbraw/zinc/92/07/52/385920752.db2.gz XPNPMZHHKPJGQG-RYUDHWBXSA-N 3 0 213.369 0.964 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000647732457 385862149 /nfs/dbraw/zinc/86/21/49/385862149.db2.gz IOWXJSWNPSDPAT-MXWKQRLJSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000647811038 385862305 /nfs/dbraw/zinc/86/23/05/385862305.db2.gz MFMDQXOBOMKTFZ-IVZWLZJFSA-N 2 0 213.325 0.132 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000647732619 385864499 /nfs/dbraw/zinc/86/44/99/385864499.db2.gz PRRQZTKYLNDHPO-RKDXNWHRSA-N 2 0 247.289 0.038 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000262603658 385865560 /nfs/dbraw/zinc/86/55/60/385865560.db2.gz ALEQNWMCWFPRLW-VXGBXAGGSA-N 2 0 233.315 0.554 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000647824966 385867293 /nfs/dbraw/zinc/86/72/93/385867293.db2.gz JRAYWNGCOATBGT-IUCAKERBSA-N 2 0 249.305 0.331 20 0 BCADRP C[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])CC[C@H]1[NH3+] ZINC000647816084 385868072 /nfs/dbraw/zinc/86/80/72/385868072.db2.gz PKMATWCYVVUWFU-NXEZZACHSA-N 2 0 227.352 0.700 20 0 BCADRP [NH3+]CCOCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815156 385868337 /nfs/dbraw/zinc/86/83/37/385868337.db2.gz RJXJRQWTEZVZSV-UHFFFAOYSA-N 2 0 227.352 0.178 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000647818226 385870389 /nfs/dbraw/zinc/87/03/89/385870389.db2.gz FDCQQZARHGNFQI-KKJSVHSVSA-N 2 0 237.347 0.038 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H]1C[NH3+] ZINC000647820848 385870682 /nfs/dbraw/zinc/87/06/82/385870682.db2.gz FMDMERAXLGFNOD-ZIQFBCGOSA-N 2 0 237.347 0.038 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H]1C[NH3+] ZINC000647820846 385871048 /nfs/dbraw/zinc/87/10/48/385871048.db2.gz FMDMERAXLGFNOD-HHHUOAJASA-N 2 0 237.347 0.038 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1C[NH3+] ZINC000647822254 385872721 /nfs/dbraw/zinc/87/27/21/385872721.db2.gz ICYDJIOGGXLLGD-ZNSHCXBVSA-N 2 0 225.336 0.310 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000262669632 385872738 /nfs/dbraw/zinc/87/27/38/385872738.db2.gz RBFXCTDNZLFRRS-WCQYABFASA-N 2 0 247.342 0.815 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]([NH3+])CC(F)F ZINC000647828191 385876365 /nfs/dbraw/zinc/87/63/65/385876365.db2.gz GDZLOGRYCUSSOS-GMSGAONNSA-N 2 0 237.294 0.459 20 0 BCADRP [NH3+]C[C@H]1CC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000647829612 385877888 /nfs/dbraw/zinc/87/78/88/385877888.db2.gz DFMHRMAFZKGDDZ-VXGBXAGGSA-N 2 0 228.336 0.463 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CCC([NH3+])CC1 ZINC000236636204 259677079 /nfs/dbraw/zinc/67/70/79/259677079.db2.gz UWAISMQCIXWEME-UHFFFAOYSA-N 2 0 227.352 0.701 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647829412 385878357 /nfs/dbraw/zinc/87/83/57/385878357.db2.gz AJMPKKUYOUZQAP-ZIQFBCGOSA-N 2 0 237.347 0.086 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000647829452 385878452 /nfs/dbraw/zinc/87/84/52/385878452.db2.gz IRDNKNMAVHALKH-UKKRHICBSA-N 2 0 225.336 0.357 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000647829669 385878908 /nfs/dbraw/zinc/87/89/08/385878908.db2.gz KNGQIDRSXUURNM-NEPJUHHUSA-N 3 0 211.353 0.657 20 0 BCADRP C[C@@]1(CNC(=O)c2c[nH+]ccc2N)CCC[NH2+]C1 ZINC000294671179 385879592 /nfs/dbraw/zinc/87/95/92/385879592.db2.gz AOMJBOXRDMZMAM-CYBMUJFWSA-N 2 0 248.330 0.783 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)c1ccccc1 ZINC000647767370 385882473 /nfs/dbraw/zinc/88/24/73/385882473.db2.gz GKFFWQYXUFEIDK-LPWJVIDDSA-N 2 0 245.326 0.553 20 0 BCADRP C[NH2+]CC1CC[NH+](Cc2ccn(C)c(=O)c2)CC1 ZINC000647837443 385882572 /nfs/dbraw/zinc/88/25/72/385882572.db2.gz LXYNBJQCVOHVFS-UHFFFAOYSA-N 2 0 249.358 0.817 20 0 BCADRP CC(C)[C@H](C)NC(=O)CN1CCC(C)([NH3+])CC1 ZINC000647926872 385985594 /nfs/dbraw/zinc/98/55/94/385985594.db2.gz PRAHIIQJKOYIIU-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000338363935 385986786 /nfs/dbraw/zinc/98/67/86/385986786.db2.gz SDKMXQFEHFVAQI-CYBMUJFWSA-N 2 0 241.379 0.916 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(C[NH3+])cc1 ZINC000295202474 385990573 /nfs/dbraw/zinc/99/05/73/385990573.db2.gz PHELNYQGYDQUBJ-LBPRGKRZSA-N 2 0 235.331 0.858 20 0 BCADRP [NH3+]C1(CC(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)CC1 ZINC000639019798 385933470 /nfs/dbraw/zinc/93/34/70/385933470.db2.gz IJTZRDYXCFGZGM-GHMZBOCLSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)C[C@H](C)[NH3+] ZINC000309017883 385935772 /nfs/dbraw/zinc/93/57/72/385935772.db2.gz VJAVVZXZYAEOLM-DTWKUNHWSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC000335042630 385935742 /nfs/dbraw/zinc/93/57/42/385935742.db2.gz FFEYRCDGRWAQPB-UWVGGRQHSA-N 2 0 225.336 0.467 20 0 BCADRP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000338272780 385940395 /nfs/dbraw/zinc/94/03/95/385940395.db2.gz UNRHWIFEWOVOOU-PWSUYJOCSA-N 2 0 239.363 0.680 20 0 BCADRP CN(CC[NH3+])C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000335047092 385941123 /nfs/dbraw/zinc/94/11/23/385941123.db2.gz LWGNQFWRKCZBLI-MNOVXSKESA-N 2 0 227.352 0.701 20 0 BCADRP CC1([NH3+])CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000647924154 385941213 /nfs/dbraw/zinc/94/12/13/385941213.db2.gz JAKQNUBYYAOWSD-NSHDSACASA-N 3 0 211.353 0.799 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000335051642 385949581 /nfs/dbraw/zinc/94/95/81/385949581.db2.gz STVCZEHDFXWFSA-QWRGUYRKSA-N 2 0 212.337 0.879 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](C)CC[NH3+] ZINC000417448773 385952967 /nfs/dbraw/zinc/95/29/67/385952967.db2.gz WIVHTUPQAMZBAY-GHMZBOCLSA-N 2 0 244.383 0.753 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000335059943 385960225 /nfs/dbraw/zinc/96/02/25/385960225.db2.gz GASDDPRONFLTRX-CMPLNLGQSA-N 2 0 247.342 0.759 20 0 BCADRP [NH3+]C1(CNC(=O)c2ccc3c[nH+]cn3c2)CCC1 ZINC000335059559 385962237 /nfs/dbraw/zinc/96/22/37/385962237.db2.gz XQQPRZUOABMHQH-UHFFFAOYSA-N 2 0 244.298 0.946 20 0 BCADRP C[C@@]1(CN[C@@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000334832297 385965038 /nfs/dbraw/zinc/96/50/38/385965038.db2.gz BTLKUKCESOKSEM-NXEZZACHSA-N 2 0 233.306 0.573 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365228859 385965485 /nfs/dbraw/zinc/96/54/85/385965485.db2.gz USBFYTMMUQJWGI-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000331793697 385970684 /nfs/dbraw/zinc/97/06/84/385970684.db2.gz SVPCYYXETLIQCY-SECBINFHSA-N 2 0 240.351 0.260 20 0 BCADRP Cc1nn(C)cc1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000128279148 385970672 /nfs/dbraw/zinc/97/06/72/385970672.db2.gz QYEHHQLOQSTPFQ-SKDRFNHKSA-N 2 0 222.336 0.898 20 0 BCADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414880522 385972825 /nfs/dbraw/zinc/97/28/25/385972825.db2.gz QWPGLOHBYMCGOT-LLVKDONJSA-N 2 0 245.330 0.952 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000647865883 386000495 /nfs/dbraw/zinc/00/04/95/386000495.db2.gz WKQPLVWQHMUOMR-RWMBFGLXSA-N 2 0 241.379 0.424 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000638574913 386000645 /nfs/dbraw/zinc/00/06/45/386000645.db2.gz YUEASSWUCQWJKK-WRWGMCAJSA-N 2 0 239.363 0.631 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000295285007 386006166 /nfs/dbraw/zinc/00/61/66/386006166.db2.gz WQBJQEJVVJESLW-WCQYABFASA-N 2 0 247.342 0.815 20 0 BCADRP CC[C@]1(C(=O)N2CCC[N@H+](C)CC2)CCC[NH2+]1 ZINC000128742799 386009086 /nfs/dbraw/zinc/00/90/86/386009086.db2.gz IYALYRZKTHYQJM-CYBMUJFWSA-N 2 0 239.363 0.683 20 0 BCADRP C[C@H](CC[NH+](C)C)N[C@H]1C[N@H+](C)C[C@H]1C ZINC000336752443 386016788 /nfs/dbraw/zinc/01/67/88/386016788.db2.gz GWINDRADFMBPPB-UTUOFQBUSA-N 2 0 213.369 0.866 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925278 386018203 /nfs/dbraw/zinc/01/82/03/386018203.db2.gz MCCOTNQMTAFXIG-WRWGMCAJSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@]1(O)CCC[N@H+](CCn2ccnc2)C1 ZINC000124303795 386018617 /nfs/dbraw/zinc/01/86/17/386018617.db2.gz ICNNTZNGYXGQAH-NSHDSACASA-N 2 0 209.293 0.730 20 0 BCADRP CC[N@H+](C)CCNC(=O)N[C@H](C)CC[NH+](C)C ZINC000338479010 386018746 /nfs/dbraw/zinc/01/87/46/386018746.db2.gz MXBVZUKTMMNQDX-LLVKDONJSA-N 2 0 244.383 0.578 20 0 BCADRP CC[N@H+](CCNC(=O)NCCCC[NH3+])C(C)C ZINC000417464381 386025374 /nfs/dbraw/zinc/02/53/74/386025374.db2.gz QPDMQHDVQGXUHK-UHFFFAOYSA-N 2 0 244.383 0.755 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000335061311 386026010 /nfs/dbraw/zinc/02/60/10/386026010.db2.gz MOXLHYGEKCXIMC-MWLCHTKSSA-N 2 0 233.315 0.640 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335061310 386027449 /nfs/dbraw/zinc/02/74/49/386027449.db2.gz MOXLHYGEKCXIMC-KOLCDFICSA-N 2 0 233.315 0.640 20 0 BCADRP CC[N@H+](CCNC(=O)N[C@H]1CC[NH2+]C1)C(C)C ZINC000417465231 386030632 /nfs/dbraw/zinc/03/06/32/386030632.db2.gz RVGBCOAWWNKWBS-NSHDSACASA-N 2 0 242.367 0.378 20 0 BCADRP CN(CC[NH3+])C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000334960111 386032344 /nfs/dbraw/zinc/03/23/44/386032344.db2.gz FCRGDWWNNHOLHT-MWLCHTKSSA-N 2 0 213.325 0.311 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335064488 386035380 /nfs/dbraw/zinc/03/53/80/386035380.db2.gz ZHHAQRKKMOZMMV-NSHDSACASA-N 2 0 233.315 0.513 20 0 BCADRP CC[N@H+](C)CCNC(=O)C1(C[NH3+])CCCC1 ZINC000054128914 386110627 /nfs/dbraw/zinc/11/06/27/386110627.db2.gz CCGYFMDFJOGKEA-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP CCN(C)C[C@H](O)C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000647968913 386111303 /nfs/dbraw/zinc/11/13/03/386111303.db2.gz BBZUDZKCCQPSNU-RYUDHWBXSA-N 2 0 246.395 0.638 20 0 BCADRP CCN(C)C[C@H](O)C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000647968912 386111539 /nfs/dbraw/zinc/11/15/39/386111539.db2.gz BBZUDZKCCQPSNU-NWDGAFQWSA-N 2 0 246.395 0.638 20 0 BCADRP C[C@H]1C[C@@H](C[N@@H+]2CCNC[C@@H]2C)CC[NH2+]1 ZINC000414667450 386113986 /nfs/dbraw/zinc/11/39/86/386113986.db2.gz HJNXDOKASDHYMI-SRVKXCTJSA-N 2 0 211.353 0.668 20 0 BCADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000345833910 386119322 /nfs/dbraw/zinc/11/93/22/386119322.db2.gz BHBNKNUMALVGDF-WISYIIOYSA-N 2 0 239.363 0.441 20 0 BCADRP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000647769961 386119767 /nfs/dbraw/zinc/11/97/67/386119767.db2.gz QEVWNNAZDMZEGB-IJLUTSLNSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000054343568 386120493 /nfs/dbraw/zinc/12/04/93/386120493.db2.gz HVPPTBPPVKWITI-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+][C@@H]1CCN(C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414649192 386059502 /nfs/dbraw/zinc/05/95/02/386059502.db2.gz CBKXUSIWLUIGHG-SDDRHHMPSA-N 2 0 211.353 0.668 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000237125266 259681361 /nfs/dbraw/zinc/68/13/61/259681361.db2.gz SOQLNQFTWBDFNS-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCNC[C@H]2C)CC[NH2+]1 ZINC000414652796 386075331 /nfs/dbraw/zinc/07/53/31/386075331.db2.gz HJNXDOKASDHYMI-UTUOFQBUSA-N 2 0 211.353 0.668 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365404404 386077541 /nfs/dbraw/zinc/07/75/41/386077541.db2.gz PQETYIFGGAUISK-NWDGAFQWSA-N 2 0 230.352 0.410 20 0 BCADRP COC(=O)C(C)(C)CCN[C@@H]1CC[NH2+]C1 ZINC000414887292 386086060 /nfs/dbraw/zinc/08/60/60/386086060.db2.gz QTPHRDVPSIUDMM-SECBINFHSA-N 2 0 214.309 0.527 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335147560 386094335 /nfs/dbraw/zinc/09/43/35/386094335.db2.gz KJRRPVRDHRZTGQ-ZYHUDNBSSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCN[C@@H](C)C2)CC[NH2+]1 ZINC000414663481 386099013 /nfs/dbraw/zinc/09/90/13/386099013.db2.gz SEYJFWKIFNNAFW-GRYCIOLGSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCN1CC[NH2+]CC1 ZINC000414892230 386151298 /nfs/dbraw/zinc/15/12/98/386151298.db2.gz XNOSWGLRIXBXBD-STQMWFEESA-N 3 0 240.395 0.012 20 0 BCADRP CC(C)[N@@H+](CC(N)=O)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414677797 386158323 /nfs/dbraw/zinc/15/83/23/386158323.db2.gz JTFVWQXOFBKMNZ-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC000346139247 386165742 /nfs/dbraw/zinc/16/57/42/386165742.db2.gz NZXCALPCGXPATQ-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP C[C@]1(C[NH2+]C[C@@H]2CCNCC2(F)F)CC[NH2+]C1 ZINC000414993210 386167344 /nfs/dbraw/zinc/16/73/44/386167344.db2.gz CGJQVYHPTYOMMR-QWRGUYRKSA-N 2 0 247.333 0.820 20 0 BCADRP C[C@H]1C[C@H](C[N@H+](C)CC(=O)N(C)C)CC[NH2+]1 ZINC000414681954 386167403 /nfs/dbraw/zinc/16/74/03/386167403.db2.gz QELOQRSUYHVZFS-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000346152215 386167843 /nfs/dbraw/zinc/16/78/43/386167843.db2.gz ZVCTUNRWOBHIAZ-VHSXEESVSA-N 2 0 213.325 0.147 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000346152214 386168723 /nfs/dbraw/zinc/16/87/23/386168723.db2.gz ZVCTUNRWOBHIAZ-UWVGGRQHSA-N 2 0 213.325 0.147 20 0 BCADRP C[C@H]1C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CCN1 ZINC000414693957 386190723 /nfs/dbraw/zinc/19/07/23/386190723.db2.gz SEYJFWKIFNNAFW-SRVKXCTJSA-N 2 0 211.353 0.668 20 0 BCADRP CC[N@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000346157637 386171760 /nfs/dbraw/zinc/17/17/60/386171760.db2.gz TYUUJOKULKUQEE-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]1C[C@H](C[N@@H+]2CCC[C@H]2CO)CC[NH2+]1 ZINC000414690774 386184768 /nfs/dbraw/zinc/18/47/68/386184768.db2.gz NSUQSTWIHRODOZ-TUAOUCFPSA-N 2 0 212.337 0.831 20 0 BCADRP Cc1noc(C)c1CN(C)CCOCC[NH3+] ZINC000647879833 386186269 /nfs/dbraw/zinc/18/62/69/386186269.db2.gz HNOSXEAMESYEHO-UHFFFAOYSA-N 2 0 227.308 0.699 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000237314131 259683024 /nfs/dbraw/zinc/68/30/24/259683024.db2.gz JOWBYARFXFYCLT-LLVKDONJSA-N 2 0 241.379 0.818 20 0 BCADRP O[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000393458181 386129822 /nfs/dbraw/zinc/12/98/22/386129822.db2.gz FRKAQTZRFUGHEK-IRCOFANPSA-N 2 0 210.321 0.726 20 0 BCADRP C[C@@H](C(=O)N(C)[C@H]1C[NH+]2CCC1CC2)[C@H](C)[NH3+] ZINC000310136367 386135198 /nfs/dbraw/zinc/13/51/98/386135198.db2.gz ZNPSZYOBXJFWRT-SCVCMEIPSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@@H]([NH3+])CN1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000335230449 386140216 /nfs/dbraw/zinc/14/02/16/386140216.db2.gz VAIFCDPAPYIRIH-VXGBXAGGSA-N 2 0 239.363 0.668 20 0 BCADRP CC[N@H+](CCNC(=O)NC(C)(C)C[NH3+])C1CC1 ZINC000417487720 386143088 /nfs/dbraw/zinc/14/30/88/386143088.db2.gz OBRNXRBTSSUBBL-UHFFFAOYSA-N 2 0 242.367 0.507 20 0 BCADRP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414699501 386203102 /nfs/dbraw/zinc/20/31/02/386203102.db2.gz IKRLFIWETGZQSQ-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP CNC(=O)CCC[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414702318 386208152 /nfs/dbraw/zinc/20/81/52/386208152.db2.gz IHEPNAJIEUVLJO-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP CNC(=O)CCC[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414702315 386208756 /nfs/dbraw/zinc/20/87/56/386208756.db2.gz IHEPNAJIEUVLJO-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP COC[C@](C)(CCO)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414714822 386232205 /nfs/dbraw/zinc/23/22/05/386232205.db2.gz VWDDKDHSJRMNGQ-UPJWGTAASA-N 2 0 244.379 0.752 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+]C2(CO)CCC2)CC[NH2+]1 ZINC000414713796 386233031 /nfs/dbraw/zinc/23/30/31/386233031.db2.gz UKOBXOFMCHRPIA-GHMZBOCLSA-N 2 0 212.337 0.879 20 0 BCADRP CCC(=O)N[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647882930 386233841 /nfs/dbraw/zinc/23/38/41/386233841.db2.gz PZMRLLBTCIYKRA-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CCC3(CC[NH2+]3)CC2)C1 ZINC000638355455 386246750 /nfs/dbraw/zinc/24/67/50/386246750.db2.gz MWPCRAGKPUQZPE-LLVKDONJSA-N 2 0 235.331 0.388 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1CCO[C@@H](C[NH3+])C1 ZINC000414719596 386252316 /nfs/dbraw/zinc/25/23/16/386252316.db2.gz YZEXWTUUIREMOP-MNOVXSKESA-N 2 0 215.341 0.019 20 0 BCADRP COCC(C)(C)C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414895618 386192684 /nfs/dbraw/zinc/19/26/84/386192684.db2.gz YGFIYRHEGJCBKT-JTQLQIEISA-N 2 0 200.326 0.986 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000289277624 386280497 /nfs/dbraw/zinc/28/04/97/386280497.db2.gz PTHNRQMSJRHZRQ-RTXFEEFZSA-N 2 0 247.342 0.943 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000336730946 386293629 /nfs/dbraw/zinc/29/36/29/386293629.db2.gz FAWWXOHLJWILBG-ONGXEEELSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000058119005 386293661 /nfs/dbraw/zinc/29/36/61/386293661.db2.gz XRPYVLUHSBRTHB-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CCC[NH2+]C1 ZINC000237770036 259684810 /nfs/dbraw/zinc/68/48/10/259684810.db2.gz FTXJWSUEZYLWCD-MDZLAQPJSA-N 2 0 239.363 0.620 20 0 BCADRP O=C(C1C[NH2+]C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000091411432 386295883 /nfs/dbraw/zinc/29/58/83/386295883.db2.gz LSRMXYUDKNTEDI-LBPRGKRZSA-N 2 0 237.347 0.293 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)CC[NH2+]1 ZINC000414736430 386302844 /nfs/dbraw/zinc/30/28/44/386302844.db2.gz HTSLFFVAIDQSHP-QCNOEVLYSA-N 2 0 239.363 0.489 20 0 BCADRP Cc1nnc([C@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)[nH]1 ZINC000647988411 386303790 /nfs/dbraw/zinc/30/37/90/386303790.db2.gz FWXPFLOVJSKIIA-RYUDHWBXSA-N 2 0 249.362 0.902 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000331942037 386309102 /nfs/dbraw/zinc/30/91/02/386309102.db2.gz XRXGWSJEGLIOLS-IQJOONFLSA-N 2 0 240.351 0.116 20 0 BCADRP C[NH+]1CCC(C(=O)NCC(F)(F)CN)CC1 ZINC000190292777 386262446 /nfs/dbraw/zinc/26/24/46/386262446.db2.gz JIJRLQQRRWVBQS-UHFFFAOYSA-N 2 0 235.278 0.038 20 0 BCADRP CN(C)c1ncc(CN2CCC[C@@H](C[NH3+])C2)cn1 ZINC000347160471 386263100 /nfs/dbraw/zinc/26/31/00/386263100.db2.gz GZKZMGQZRVOXTQ-NSHDSACASA-N 2 0 249.362 0.713 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000339134260 386263986 /nfs/dbraw/zinc/26/39/86/386263986.db2.gz UCGCEPAXYKLIEY-ZJUUUORDSA-N 2 0 215.341 0.297 20 0 BCADRP COCCOC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647884711 386264170 /nfs/dbraw/zinc/26/41/70/386264170.db2.gz ZPZSBZYKCMNHQE-LBPRGKRZSA-N 2 0 242.363 0.723 20 0 BCADRP C[NH+](C)C[C@H]1CC[N@H+](CC2(O)CCC2)C1 ZINC000336653901 386271257 /nfs/dbraw/zinc/27/12/57/386271257.db2.gz ZFFOLNLSCSBVLX-LLVKDONJSA-N 2 0 212.337 0.785 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647987704 386278920 /nfs/dbraw/zinc/27/89/20/386278920.db2.gz SCCPHWYXLABZSX-TUAOUCFPSA-N 2 0 209.337 0.280 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000335279020 386340496 /nfs/dbraw/zinc/34/04/96/386340496.db2.gz DRYRTJTXAHBCKB-NWDGAFQWSA-N 2 0 231.299 0.253 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](O)C3(CC3)C2)CC[NH2+]1 ZINC000414746204 386343084 /nfs/dbraw/zinc/34/30/84/386343084.db2.gz RUTQQCRPDHRZJG-IJLUTSLNSA-N 2 0 224.348 0.831 20 0 BCADRP C[C@@H](CNC(=O)N1CC[NH2+]CC1)[N@H+](C)C1CC1 ZINC000417547080 386348369 /nfs/dbraw/zinc/34/83/69/386348369.db2.gz GOYRDZWPNBNQIK-JTQLQIEISA-N 2 0 240.351 0.084 20 0 BCADRP C(C[C@H]1CCC[NH2+]1)NC[C@@H]1CCC[NH2+]C1 ZINC000414904094 386353200 /nfs/dbraw/zinc/35/32/00/386353200.db2.gz LCGCEBOTRLIBFE-VXGBXAGGSA-N 2 0 211.353 0.718 20 0 BCADRP C[C@H](CNC(=O)NCC(C)(C)[NH3+])[N@H+](C)C1CC1 ZINC000417553479 386358440 /nfs/dbraw/zinc/35/84/40/386358440.db2.gz UHDJQRRPUZWOGO-SECBINFHSA-N 2 0 242.367 0.506 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C[NH3+])c1ccc(F)cc1 ZINC000237191240 386363723 /nfs/dbraw/zinc/36/37/23/386363723.db2.gz RUMXGRHLVRJILD-LLVKDONJSA-N 2 0 239.294 0.503 20 0 BCADRP NC(=O)C[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647890092 386368199 /nfs/dbraw/zinc/36/81/99/386368199.db2.gz PJYUTMWPUIFELU-WDEREUQCSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000237430622 386378024 /nfs/dbraw/zinc/37/80/24/386378024.db2.gz ZZGFADAISFQVRE-JQWIXIFHSA-N 2 0 235.331 0.882 20 0 BCADRP CC[NH+](CC)CCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000416789692 386382788 /nfs/dbraw/zinc/38/27/88/386382788.db2.gz KYKIERGZFUARFC-JTQLQIEISA-N 2 0 230.356 0.317 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)[C@@H](C)C[NH2+]1 ZINC000237479408 386383613 /nfs/dbraw/zinc/38/36/13/386383613.db2.gz DHBJFVHWNDGJEA-MNOVXSKESA-N 2 0 247.342 0.968 20 0 BCADRP c1ncn(CC2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)n1 ZINC000647989997 386385703 /nfs/dbraw/zinc/38/57/03/386385703.db2.gz NORUFEVUTFWRTG-ZDUSSCGKSA-N 2 0 249.362 0.600 20 0 BCADRP CC(C)[N@@H+](C[C@H](O)CN(C)C1CC1)C[C@H](C)O ZINC000336684158 386329568 /nfs/dbraw/zinc/32/95/68/386329568.db2.gz FODDOUYFMLYXDG-WCQYABFASA-N 2 0 244.379 0.533 20 0 BCADRP COCCC[N@H+](CCO)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414742998 386332109 /nfs/dbraw/zinc/33/21/09/386332109.db2.gz GUOSIPNSVBUAAF-STQMWFEESA-N 2 0 244.379 0.705 20 0 BCADRP C[C@H]([NH3+])C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335275705 386334835 /nfs/dbraw/zinc/33/48/35/386334835.db2.gz CUHODPOUFLMUKJ-QWRGUYRKSA-N 2 0 211.353 0.798 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)NCC(C)(C)[NH3+] ZINC000417002684 386437076 /nfs/dbraw/zinc/43/70/76/386437076.db2.gz GGGZXXBVWDWZJH-SNVBAGLBSA-N 2 0 244.383 0.753 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C1(C)C[NH2+]C1 ZINC000399189057 386443277 /nfs/dbraw/zinc/44/32/77/386443277.db2.gz XRZYLRFSJSFANP-UHFFFAOYSA-N 2 0 213.325 0.052 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000414771078 386452805 /nfs/dbraw/zinc/45/28/05/386452805.db2.gz PBJNGBBOGCQLTK-XQQFMLRXSA-N 2 0 225.380 0.901 20 0 BCADRP CC[NH+](CC)CCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000416798345 386388260 /nfs/dbraw/zinc/38/82/60/386388260.db2.gz OHXVHJSOBUUJJG-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)NC[C@H]([NH3+])CC ZINC000417612714 386451018 /nfs/dbraw/zinc/45/10/18/386451018.db2.gz RPRNFYQBDZUMPR-LLVKDONJSA-N 2 0 244.383 0.755 20 0 BCADRP CC[NH+](CC)CCCNC(=O)N[C@@H](C)CC[NH3+] ZINC000416825008 386391790 /nfs/dbraw/zinc/39/17/90/386391790.db2.gz YNKOREQXLZMJKC-NSHDSACASA-N 2 0 244.383 0.755 20 0 BCADRP CC[NH+](CC)CCNC(=O)NCC(C)(C)[NH3+] ZINC000416803328 386394986 /nfs/dbraw/zinc/39/49/86/386394986.db2.gz VKVQTTBOEXNWKV-UHFFFAOYSA-N 2 0 230.356 0.365 20 0 BCADRP C[C@H](C[C@@H]1COCCN1)[NH2+]CCC[NH+](C)C ZINC000166087974 386395205 /nfs/dbraw/zinc/39/52/05/386395205.db2.gz MUAZWAJHSFOMFR-VXGBXAGGSA-N 2 0 229.368 0.295 20 0 BCADRP C[NH2+]CCNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000416811955 386398559 /nfs/dbraw/zinc/39/85/59/386398559.db2.gz SGMUUSKPLGKUGO-UHFFFAOYSA-N 2 0 244.383 0.624 20 0 BCADRP C[C@H](C[NH3+])NC(=O)NCCC[NH+]1CCCCC1 ZINC000416866063 386405406 /nfs/dbraw/zinc/40/54/06/386405406.db2.gz AHHKPRBHSMQDKH-LLVKDONJSA-N 2 0 242.367 0.509 20 0 BCADRP [NH3+][C@H](CC(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000237868109 386419530 /nfs/dbraw/zinc/41/95/30/386419530.db2.gz VODCEYRTSYGTJG-CHWSQXEVSA-N 2 0 247.342 0.945 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)C2(C)C[NH2+]C2)C1 ZINC000399142830 386420120 /nfs/dbraw/zinc/42/01/20/386420120.db2.gz CCFJTZHCSRQOSK-JTQLQIEISA-N 2 0 225.336 0.054 20 0 BCADRP C[C@@H](C(=O)N(C)C1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000164992638 386451977 /nfs/dbraw/zinc/45/19/77/386451977.db2.gz YTJDKMQWBPUULC-ZJUUUORDSA-N 2 0 227.352 0.522 20 0 BCADRP COC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339427868 386421213 /nfs/dbraw/zinc/42/12/13/386421213.db2.gz YXTFQVFSAARTHJ-CYBMUJFWSA-N 2 0 240.347 0.967 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](CCC[NH3+])[C@H]1C ZINC000414761984 386422808 /nfs/dbraw/zinc/42/28/08/386422808.db2.gz VEHRTEGNMJMTSK-DTWKUNHWSA-N 2 0 200.282 0.219 20 0 BCADRP CC[C@]1(C(=O)NC[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000134366604 386427656 /nfs/dbraw/zinc/42/76/56/386427656.db2.gz GEPXAPPCMZSQHW-WCQYABFASA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000164966021 386431293 /nfs/dbraw/zinc/43/12/93/386431293.db2.gz AGCLPOLAJFVIBG-NXEZZACHSA-N 2 0 229.368 0.674 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000347471797 386432288 /nfs/dbraw/zinc/43/22/88/386432288.db2.gz HRFNAELRMPNEAW-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCCC[NH3+] ZINC000417017014 386434295 /nfs/dbraw/zinc/43/42/95/386434295.db2.gz GNPHTBPSSSZVLC-LLVKDONJSA-N 2 0 242.367 0.509 20 0 BCADRP CC[C@]1(C(=O)NC[C@H]([NH3+])C2CC2)CCC[NH2+]1 ZINC000134621925 386436504 /nfs/dbraw/zinc/43/65/04/386436504.db2.gz PBEHPWLGHLTCON-CMPLNLGQSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000417276326 386468070 /nfs/dbraw/zinc/46/80/70/386468070.db2.gz DOLXLPBYFCKDPS-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000165006058 386468107 /nfs/dbraw/zinc/46/81/07/386468107.db2.gz HFQWTYUXEVUUAH-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CC[NH2+]CC1 ZINC000366412917 386469688 /nfs/dbraw/zinc/46/96/88/386469688.db2.gz FWQWRUVPFIOEQC-VXGBXAGGSA-N 2 0 237.347 0.293 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000417286447 386474958 /nfs/dbraw/zinc/47/49/58/386474958.db2.gz MXKDHLFRMPPUHX-MNOVXSKESA-N 2 0 242.367 0.235 20 0 BCADRP C[C@H]1CN(C(=O)NCC[N@H+](C)C2CC2)CC[NH2+]1 ZINC000417634498 386479237 /nfs/dbraw/zinc/47/92/37/386479237.db2.gz ZAOMSXHSWQJGMO-JTQLQIEISA-N 2 0 240.351 0.084 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000335426861 386480271 /nfs/dbraw/zinc/48/02/71/386480271.db2.gz CTWSABBVTMNCDH-GWCFXTLKSA-N 2 0 247.342 0.808 20 0 BCADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415044417 386528945 /nfs/dbraw/zinc/52/89/45/386528945.db2.gz VDZNMZDYHJTLEP-JCIQBVFBSA-N 2 0 209.337 0.324 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000417316427 386483691 /nfs/dbraw/zinc/48/36/91/386483691.db2.gz FFWSJJKNBVYFCI-NSHDSACASA-N 2 0 244.383 0.625 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000059931335 386487276 /nfs/dbraw/zinc/48/72/76/386487276.db2.gz FDUJCXWJAFJGMI-SNVBAGLBSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000335432887 386491065 /nfs/dbraw/zinc/49/10/65/386491065.db2.gz FEQXBBBEZXQELS-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@H](C)CC[NH+](C)C ZINC000417321583 386495256 /nfs/dbraw/zinc/49/52/56/386495256.db2.gz TVFYTHPNIYYKGZ-MNOVXSKESA-N 2 0 244.383 0.609 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417319457 386496091 /nfs/dbraw/zinc/49/60/91/386496091.db2.gz NTHDKGSBUQSCCR-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H]1C[C@@H](CN2CC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000414780517 386497582 /nfs/dbraw/zinc/49/75/82/386497582.db2.gz BMFWWIWAWCXROC-RVMXOQNASA-N 2 0 223.364 0.668 20 0 BCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH3+] ZINC000417323213 386499188 /nfs/dbraw/zinc/49/91/88/386499188.db2.gz GHJVKUICCXTAJF-MNOVXSKESA-N 2 0 242.367 0.365 20 0 BCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062113079 386503453 /nfs/dbraw/zinc/50/34/53/386503453.db2.gz ANLZIXNSLIBXMF-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)CCN(C(=O)CC[NH2+]C1CC1)C1CC1 ZINC000519603013 386506707 /nfs/dbraw/zinc/50/67/07/386506707.db2.gz CPSOMROSINPBOZ-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000519641282 386514097 /nfs/dbraw/zinc/51/40/97/386514097.db2.gz DZGUYKGYNANGDI-XKNYDFJKSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000335448765 386516429 /nfs/dbraw/zinc/51/64/29/386516429.db2.gz RZMPJRNAERBYRV-CMPLNLGQSA-N 3 0 211.353 0.716 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000519642272 386516590 /nfs/dbraw/zinc/51/65/90/386516590.db2.gz ZKAJKQSWXFJPBI-GARJFASQSA-N 2 0 231.299 0.250 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000519650129 386519461 /nfs/dbraw/zinc/51/94/61/386519461.db2.gz YKAQSJXMBRRTOJ-VWYCJHECSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)C[C@H](C)C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000414786496 386525231 /nfs/dbraw/zinc/52/52/31/386525231.db2.gz MFBOBUKFRHCLEV-SRVKXCTJSA-N 2 0 214.353 0.839 20 0 BCADRP C[C@@H]1C[C@H]1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414787582 386525572 /nfs/dbraw/zinc/52/55/72/386525572.db2.gz ZGAQMBHIWAVZNP-NEPJUHHUSA-N 2 0 211.353 0.527 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[N@H+](C)CCOC ZINC000061380590 386455859 /nfs/dbraw/zinc/45/58/59/386455859.db2.gz ARFQBLDTNXMOJA-GHMZBOCLSA-N 2 0 245.367 0.054 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH3+])[NH+]1CCCCC1 ZINC000347661967 386460671 /nfs/dbraw/zinc/46/06/71/386460671.db2.gz YMMUABBBIRLZRT-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H](CNC(=O)NCC[NH3+])C[NH+]1CCCCC1 ZINC000417196026 386462428 /nfs/dbraw/zinc/46/24/28/386462428.db2.gz QTIJOQLJJDUGLZ-NSHDSACASA-N 2 0 242.367 0.366 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000059931502 386462590 /nfs/dbraw/zinc/46/25/90/386462590.db2.gz AFNYHQPSFOAKRU-CYBMUJFWSA-N 2 0 247.342 0.897 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)NCC[N@H+](C)C1CC1 ZINC000417625043 386462631 /nfs/dbraw/zinc/46/26/31/386462631.db2.gz LKSZYUCVSDKPSQ-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCC[N@H+](C)C1CC1 ZINC000417625829 386462773 /nfs/dbraw/zinc/46/27/73/386462773.db2.gz MZCADUYFAWKPLH-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP C([C@H]1CCC[NH2+]C1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414772744 386463392 /nfs/dbraw/zinc/46/33/92/386463392.db2.gz VKISRBBJUYFLNM-MELADBBJSA-N 3 0 237.391 0.917 20 0 BCADRP C[N@H+](CCNC(=O)C1([NH3+])CCCCC1)C1CC1 ZINC000059931400 386463713 /nfs/dbraw/zinc/46/37/13/386463713.db2.gz CQRGECUYINPWBG-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978232 386576792 /nfs/dbraw/zinc/57/67/92/386576792.db2.gz OUOJOJLATIXLEK-GRYCIOLGSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978233 386578451 /nfs/dbraw/zinc/57/84/51/386578451.db2.gz OUOJOJLATIXLEK-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000366493837 386598243 /nfs/dbraw/zinc/59/82/43/386598243.db2.gz BBKJLRRKSCWXCI-KXNHARMFSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000335416043 386581822 /nfs/dbraw/zinc/58/18/22/386581822.db2.gz QISQFQKMXWHCDU-SNVBAGLBSA-N 2 0 228.340 0.069 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000335416722 386583700 /nfs/dbraw/zinc/58/37/00/386583700.db2.gz KTGACDDTCGBGCX-AAEUAGOBSA-N 2 0 247.342 0.802 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000335418728 386587490 /nfs/dbraw/zinc/58/74/90/386587490.db2.gz SXFJPEHXIUBHDT-NEPJUHHUSA-N 2 0 239.363 0.668 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[NH2+]C[C@H]1C ZINC000124311480 386587836 /nfs/dbraw/zinc/58/78/36/386587836.db2.gz CQLZIPBKTWVUKY-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000335419683 386589564 /nfs/dbraw/zinc/58/95/64/386589564.db2.gz XFFYIJFJKVSUTQ-LLVKDONJSA-N 2 0 237.347 0.422 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000300359270 386590931 /nfs/dbraw/zinc/59/09/31/386590931.db2.gz IIQVLAGHDAFYGW-AXFHLTTASA-N 2 0 225.336 0.195 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000414802318 386594823 /nfs/dbraw/zinc/59/48/23/386594823.db2.gz MRVIPYMXZGTSPO-SRVKXCTJSA-N 3 0 211.353 0.846 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973550 386534546 /nfs/dbraw/zinc/53/45/46/386534546.db2.gz MUZHRFPJDMIHDO-VXGBXAGGSA-N 2 0 239.363 0.668 20 0 BCADRP CC1(C(=O)N2CCC3(C2)CC[NH2+]CC3)C[NH2+]C1 ZINC000335458110 386535302 /nfs/dbraw/zinc/53/53/02/386535302.db2.gz RGMVSOLHMFZVDC-UHFFFAOYSA-N 2 0 237.347 0.198 20 0 BCADRP c1cnc(N[C@H]2CCN(C[C@H]3CC[NH2+]C3)C2)nc1 ZINC000647995346 386539454 /nfs/dbraw/zinc/53/94/54/386539454.db2.gz QNBLHRWVDPQJLK-RYUDHWBXSA-N 2 0 247.346 0.572 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000262631489 386540274 /nfs/dbraw/zinc/54/02/74/386540274.db2.gz FKNVQCUKBXYISZ-OUAUKWLOSA-N 2 0 237.347 0.337 20 0 BCADRP [NH3+]CCCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415058332 386541547 /nfs/dbraw/zinc/54/15/47/386541547.db2.gz VLMKRLAVQUIGKP-NEPJUHHUSA-N 3 0 211.353 0.799 20 0 BCADRP c1cn([C@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)nn1 ZINC000647995206 386544276 /nfs/dbraw/zinc/54/42/76/386544276.db2.gz FMLHHKZPTUHFEU-NEPJUHHUSA-N 2 0 235.335 0.525 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000335463096 386548218 /nfs/dbraw/zinc/54/82/18/386548218.db2.gz KQSZNOLNXSIDDU-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C12CCC[NH+]1CCC2 ZINC000335463152 386548268 /nfs/dbraw/zinc/54/82/68/386548268.db2.gz PCGVUVIKLRTTGB-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000519830996 386565153 /nfs/dbraw/zinc/56/51/53/386565153.db2.gz ZBUAEQQKHIGLRY-STQMWFEESA-N 2 0 225.380 0.917 20 0 BCADRP C[C@H](NC(=O)C1([NH3+])CCC1)[C@@H]1CCC[NH2+]C1 ZINC000335407000 386566884 /nfs/dbraw/zinc/56/68/84/386566884.db2.gz OAXLJSVSKXIAOC-VHSXEESVSA-N 2 0 225.336 0.372 20 0 BCADRP Cc1ncc(CNCCC[NH+]2CCC2)cn1 ZINC000519833060 386567726 /nfs/dbraw/zinc/56/77/26/386567726.db2.gz KYUFOGALWXXZDL-UHFFFAOYSA-N 2 0 220.320 0.970 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000062116898 386569054 /nfs/dbraw/zinc/56/90/54/386569054.db2.gz ZAWTUAAKZSTYLZ-SNVBAGLBSA-N 2 0 213.325 0.052 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000335409107 386572000 /nfs/dbraw/zinc/57/20/00/386572000.db2.gz AGIYBSIJDNYJQR-NWDGAFQWSA-N 2 0 239.363 0.585 20 0 BCADRP Cn1nnc2cc(CN[C@@H](C[NH3+])C3CC3)ccc21 ZINC000414795320 386572080 /nfs/dbraw/zinc/57/20/80/386572080.db2.gz GPIWOAROPSNBHN-LBPRGKRZSA-N 2 0 245.330 0.795 20 0 BCADRP COC[C@@H]1C[C@H](OC)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000415104314 386622890 /nfs/dbraw/zinc/62/28/90/386622890.db2.gz KSGSNVNHEFKSES-STQMWFEESA-N 2 0 242.363 0.722 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000520255538 386625219 /nfs/dbraw/zinc/62/52/19/386625219.db2.gz QOICDHRGLKPQAV-LBPRGKRZSA-N 2 0 248.330 0.306 20 0 BCADRP COC(=O)C1(C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000415115047 386628555 /nfs/dbraw/zinc/62/85/55/386628555.db2.gz YGSLITRGOYZICT-GHMZBOCLSA-N 2 0 240.347 0.917 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000414925116 386628910 /nfs/dbraw/zinc/62/89/10/386628910.db2.gz JHHPLGLIROHMOZ-WOPDTQHZSA-N 2 0 211.353 0.716 20 0 BCADRP CO[C@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C1CC1 ZINC000644932531 386629436 /nfs/dbraw/zinc/62/94/36/386629436.db2.gz GUJYLDLFINXGTO-FRRDWIJNSA-N 2 0 224.348 0.905 20 0 BCADRP C[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000415121451 386631587 /nfs/dbraw/zinc/63/15/87/386631587.db2.gz HJDMLURBAQDOKQ-AGIUHOORSA-N 2 0 225.380 0.903 20 0 BCADRP C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000415138976 386631640 /nfs/dbraw/zinc/63/16/40/386631640.db2.gz ZJULGMKNBGSMDW-UPJWGTAASA-N 2 0 225.380 0.903 20 0 BCADRP CC[C@@]1(C(=O)NCC[NH+](C)C)CC[NH2+]C1 ZINC000062887317 386632535 /nfs/dbraw/zinc/63/25/35/386632535.db2.gz YXEFDVNCTVMRHM-LLVKDONJSA-N 2 0 213.325 0.054 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000335506683 386638742 /nfs/dbraw/zinc/63/87/42/386638742.db2.gz DGOSUGCEAMBFEC-RYUDHWBXSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000335423631 386599229 /nfs/dbraw/zinc/59/92/29/386599229.db2.gz NVDBEVHQTSCKKZ-CABZTGNLSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)(C)[NH2+]CCNCCCN1CC[NH2+]CC1 ZINC000414803298 386599376 /nfs/dbraw/zinc/59/93/76/386599376.db2.gz WLGFJJLLTLACGQ-UHFFFAOYSA-N 3 0 242.411 0.259 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000366496873 386602994 /nfs/dbraw/zinc/60/29/94/386602994.db2.gz KURLBDPVAZLQPB-WOPDTQHZSA-N 2 0 239.363 0.570 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C1)C12CCC[NH+]1CCC2 ZINC000335487602 386603434 /nfs/dbraw/zinc/60/34/34/386603434.db2.gz QERMEGMBFZRDGO-JTQLQIEISA-N 2 0 223.320 0.093 20 0 BCADRP C1C[C@@H]([NH2+][C@H]2CCC[C@@H]3OCC[C@@H]32)C[NH2+]1 ZINC000415087155 386606934 /nfs/dbraw/zinc/60/69/34/386606934.db2.gz KPBKBHPOEBEMQJ-WYUUTHIRSA-N 2 0 210.321 0.896 20 0 BCADRP COC[C@@H]1C[C@H](OC)C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000415109308 386617153 /nfs/dbraw/zinc/61/71/53/386617153.db2.gz RASCREYYSJMBQV-AGIUHOORSA-N 2 0 242.363 0.722 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)CC[NH3+])C1 ZINC000062967615 386663823 /nfs/dbraw/zinc/66/38/23/386663823.db2.gz OLRPGBHHNZXWEY-JTQLQIEISA-N 2 0 213.325 0.278 20 0 BCADRP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647979537 386666319 /nfs/dbraw/zinc/66/63/19/386666319.db2.gz JLCOERWEGWSWPI-RWMBFGLXSA-N 3 0 223.364 0.527 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CC[NH2+]C1CC1 ZINC000520428524 386671871 /nfs/dbraw/zinc/67/18/71/386671871.db2.gz XFISDRNZVAYKGK-SNVBAGLBSA-N 2 0 213.325 0.228 20 0 BCADRP Cn1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1=O ZINC000647954449 386682508 /nfs/dbraw/zinc/68/25/08/386682508.db2.gz HMQVYFHTTUETTN-CYBMUJFWSA-N 2 0 235.331 0.556 20 0 BCADRP C[C@@H]([NH3+])CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979425 386679800 /nfs/dbraw/zinc/67/98/00/386679800.db2.gz BJIVHFDGWMCVEZ-NEPJUHHUSA-N 2 0 211.353 0.894 20 0 BCADRP C[C@@]1(F)C[NH2+]CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000335481939 386709970 /nfs/dbraw/zinc/70/99/70/386709970.db2.gz XYHWMNZEYHNVRM-VXGBXAGGSA-N 2 0 229.343 0.619 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CC[NH2+]C3)C[C@@H]21 ZINC000647907742 386696848 /nfs/dbraw/zinc/69/68/48/386696848.db2.gz NYCYNNIHSJQHON-QNWHQSFQSA-N 3 0 223.364 0.655 20 0 BCADRP CC1(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC000335474298 386697067 /nfs/dbraw/zinc/69/70/67/386697067.db2.gz QFWJMUQLYYZORH-AOOOYVTPSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000335475331 386698686 /nfs/dbraw/zinc/69/86/86/386698686.db2.gz AGSWKFKPNUXHAS-CMPLNLGQSA-N 2 0 225.336 0.311 20 0 BCADRP C(C[C@H]1CC[NH2+]C1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414828691 386703074 /nfs/dbraw/zinc/70/30/74/386703074.db2.gz JHQCFXQSRFOIIU-NEPJUHHUSA-N 3 0 211.353 0.575 20 0 BCADRP C[NH+](C)CC(=O)NCCCCC[NH+]1CCCC1 ZINC000357050836 386704652 /nfs/dbraw/zinc/70/46/52/386704652.db2.gz HVAKNJJSBJANHX-UHFFFAOYSA-N 2 0 241.379 0.930 20 0 BCADRP [NH3+]C1(CC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000638507804 386730556 /nfs/dbraw/zinc/73/05/56/386730556.db2.gz LMKOMKXPMZNPEW-VIFPVBQESA-N 2 0 223.320 0.269 20 0 BCADRP [NH3+][C@@H](CN[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000414840400 386739505 /nfs/dbraw/zinc/73/95/05/386739505.db2.gz XABGVIGUEMSMKL-RYUDHWBXSA-N 2 0 205.305 0.638 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645105485 386725107 /nfs/dbraw/zinc/72/51/07/386725107.db2.gz RLXZMFGTWBLDPX-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044752131 386726144 /nfs/dbraw/zinc/72/61/44/386726144.db2.gz DGXKQWNVBIFJGM-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000414835850 386727665 /nfs/dbraw/zinc/72/76/65/386727665.db2.gz IQPXMOKJDCITGQ-VIFPVBQESA-N 2 0 239.319 0.746 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726758 386728660 /nfs/dbraw/zinc/72/86/60/386728660.db2.gz LXPFDWQIWWBAST-GXSJLCMTSA-N 2 0 225.336 0.323 20 0 BCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)C[NH3+] ZINC000357254084 386748051 /nfs/dbraw/zinc/74/80/51/386748051.db2.gz YQTHLZPKDBWYJU-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCCNC1 ZINC000414842040 386749163 /nfs/dbraw/zinc/74/91/63/386749163.db2.gz OSSLPOQBMOSACT-NWDGAFQWSA-N 2 0 211.353 0.718 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357302120 386756823 /nfs/dbraw/zinc/75/68/23/386756823.db2.gz PSFIRIYGJSIHLQ-CHWFTXMASA-N 2 0 227.352 0.617 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357319852 386759494 /nfs/dbraw/zinc/75/94/94/386759494.db2.gz XKQOCPIKHKSGGC-DTHBNOIPSA-N 2 0 227.352 0.617 20 0 BCADRP [NH3+]C[C@@H](N[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000414838937 386741694 /nfs/dbraw/zinc/74/16/94/386741694.db2.gz KYVMEXYIFATODR-NWDGAFQWSA-N 2 0 211.353 0.846 20 0 BCADRP CC[N@H+](CCNC(=O)CC[NH2+]C)C(C)C ZINC000357236995 386744308 /nfs/dbraw/zinc/74/43/08/386744308.db2.gz DRPJBCPOVRPWDE-UHFFFAOYSA-N 2 0 215.341 0.442 20 0 BCADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)CC[NH2+]C ZINC000417828446 386789487 /nfs/dbraw/zinc/78/94/87/386789487.db2.gz HHZCOTDSBNLHLO-ZDUSSCGKSA-N 2 0 249.358 0.975 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000417828296 386789866 /nfs/dbraw/zinc/78/98/66/386789866.db2.gz FCIXKYQTRZQFNM-LOWVWBTDSA-N 2 0 241.379 0.947 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000417828295 386790495 /nfs/dbraw/zinc/79/04/95/386790495.db2.gz FCIXKYQTRZQFNM-GVXVVHGQSA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000417828315 386790524 /nfs/dbraw/zinc/79/05/24/386790524.db2.gz FFTXGTNOBFRIBE-NTZNESFSSA-N 2 0 241.379 0.803 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000417810884 386791134 /nfs/dbraw/zinc/79/11/34/386791134.db2.gz IZQUPTVJIHVSSF-KXNHARMFSA-N 2 0 239.363 0.570 20 0 BCADRP CN1CC[C@](O)(C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000417988433 386791153 /nfs/dbraw/zinc/79/11/53/386791153.db2.gz KAKLDTLEXIYHHT-PWSUYJOCSA-N 2 0 228.336 0.210 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000417835780 386794672 /nfs/dbraw/zinc/79/46/72/386794672.db2.gz LHMZLWFIDIZCIJ-JFGNBEQYSA-N 2 0 225.336 0.182 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000417837511 386795966 /nfs/dbraw/zinc/79/59/66/386795966.db2.gz MMEDTWJRAYMNGP-SRVKXCTJSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000357363155 386770822 /nfs/dbraw/zinc/77/08/22/386770822.db2.gz OGCWJGMZGOWQLT-GARJFASQSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C1 ZINC000417813081 386780207 /nfs/dbraw/zinc/78/02/07/386780207.db2.gz QTMFNARCDMUJCV-KXNHARMFSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000417803861 386780498 /nfs/dbraw/zinc/78/04/98/386780498.db2.gz FWKMIQRDSJOZQG-KXUCPTDWSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000417813586 386781860 /nfs/dbraw/zinc/78/18/60/386781860.db2.gz MPBADBWGOFQNGQ-BBBLOLIVSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000417803863 386782139 /nfs/dbraw/zinc/78/21/39/386782139.db2.gz FWKMIQRDSJOZQG-UTLUCORTSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000417824525 386783506 /nfs/dbraw/zinc/78/35/06/386783506.db2.gz ABJROFFHYHKJSK-WDEREUQCSA-N 2 0 227.352 0.413 20 0 BCADRP C[C@@H](C(=O)N[C@@H](C[NH3+])C(C)(C)C)[C@H](C)[NH3+] ZINC000417825856 386785465 /nfs/dbraw/zinc/78/54/65/386785465.db2.gz BQAYIKOOFGWIIV-VGMNWLOBSA-N 2 0 215.341 0.459 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000417825311 386785497 /nfs/dbraw/zinc/78/54/97/386785497.db2.gz AXXSSNNQFCRLQZ-VHRBIJSZSA-N 2 0 247.342 0.809 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417805978 386788603 /nfs/dbraw/zinc/78/86/03/386788603.db2.gz IBSLZUCCPOJHFN-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP COCCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000647908846 386789277 /nfs/dbraw/zinc/78/92/77/386789277.db2.gz TXHSGSNLJXDUNC-UHFFFAOYSA-N 2 0 244.379 0.848 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000417839205 386797384 /nfs/dbraw/zinc/79/73/84/386797384.db2.gz NLVDHKJLFHEDLJ-MWLCHTKSSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC000417837968 386797450 /nfs/dbraw/zinc/79/74/50/386797450.db2.gz MXYONBZWVJSVEI-WYUUTHIRSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@]2(C)CC[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000417839362 386797506 /nfs/dbraw/zinc/79/75/06/386797506.db2.gz NTBKVXWHCCBOMV-KGYLQXTDSA-N 2 0 239.363 0.429 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C[C@H]1CCC[NH2+]1 ZINC000417840584 386798012 /nfs/dbraw/zinc/79/80/12/386798012.db2.gz OQIBOENGURJJKT-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000417841518 386799218 /nfs/dbraw/zinc/79/92/18/386799218.db2.gz XLXMFAZIWHHQSB-KXNHARMFSA-N 2 0 239.363 0.489 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417841145 386799789 /nfs/dbraw/zinc/79/97/89/386799789.db2.gz SOAXNGSRMOLZGA-NEPJUHHUSA-N 2 0 241.379 0.851 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000417841514 386800393 /nfs/dbraw/zinc/80/03/93/386800393.db2.gz XLXMFAZIWHHQSB-KKOKHZNYSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417843008 386800504 /nfs/dbraw/zinc/80/05/04/386800504.db2.gz QAEKPLHAKBDXGX-GARJFASQSA-N 2 0 239.363 0.713 20 0 BCADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H](C)[NH3+] ZINC000417840847 386800794 /nfs/dbraw/zinc/80/07/94/386800794.db2.gz SMLAGOPAAJLYBG-JOYOIKCWSA-N 2 0 235.331 0.712 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000417854422 386802053 /nfs/dbraw/zinc/80/20/53/386802053.db2.gz JWSFPNGCBJQTNN-GUBZILKMSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000417854421 386803075 /nfs/dbraw/zinc/80/30/75/386803075.db2.gz JWSFPNGCBJQTNN-AEJSXWLSSA-N 2 0 240.351 0.258 20 0 BCADRP C[NH2+]CCNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000417857005 386805705 /nfs/dbraw/zinc/80/57/05/386805705.db2.gz NOEKMZYIMGUQQZ-VHSXEESVSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@H]1[C@@H](NC(=O)N(C)C2C[NH2+]C2)CCC[N@@H+]1C ZINC000417997360 386806637 /nfs/dbraw/zinc/80/66/37/386806637.db2.gz FTOXZAYBIPPEPS-ONGXEEELSA-N 2 0 240.351 0.082 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000417848638 386807984 /nfs/dbraw/zinc/80/79/84/386807984.db2.gz VXQDWQKBPJOZHZ-WDEREUQCSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]CCNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000417850176 386808019 /nfs/dbraw/zinc/80/80/19/386808019.db2.gz MDGFOECJMLIBKP-GHMZBOCLSA-N 2 0 242.367 0.378 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000125398966 386840865 /nfs/dbraw/zinc/84/08/65/386840865.db2.gz CQLZIPBKTWVUKY-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000125410404 386841778 /nfs/dbraw/zinc/84/17/78/386841778.db2.gz YNJSSODKUHQUQQ-JTQLQIEISA-N 2 0 213.325 0.147 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000357796927 386845825 /nfs/dbraw/zinc/84/58/25/386845825.db2.gz QEXBOFUWRCLQER-JQWIXIFHSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645181678 386845978 /nfs/dbraw/zinc/84/59/78/386845978.db2.gz ONCDEAMATOCOPZ-SNVBAGLBSA-N 2 0 241.379 0.688 20 0 BCADRP C[NH+](C)CC1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000341180007 386852703 /nfs/dbraw/zinc/85/27/03/386852703.db2.gz DHFIJJDIPAHKCO-UHFFFAOYSA-N 2 0 239.363 0.492 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CC[NH3+])C1 ZINC000166356548 386854316 /nfs/dbraw/zinc/85/43/16/386854316.db2.gz YZZKUITVBIXDHA-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357846839 386854786 /nfs/dbraw/zinc/85/47/86/386854786.db2.gz IWKGMYVJYTZNKO-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000418005061 386855653 /nfs/dbraw/zinc/85/56/53/386855653.db2.gz OYYAFTFSVZBKEY-DCAQKATOSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336744575 386868187 /nfs/dbraw/zinc/86/81/87/386868187.db2.gz QGCNOMIIBLSEFB-UWVGGRQHSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@]1(CN[C@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000334832299 386868552 /nfs/dbraw/zinc/86/85/52/386868552.db2.gz BTLKUKCESOKSEM-UWVGGRQHSA-N 2 0 233.306 0.573 20 0 BCADRP C[C@@H](CNC(=O)/C=C/C[NH+](C)C)C[NH+](C)C ZINC000293749919 386871903 /nfs/dbraw/zinc/87/19/03/386871903.db2.gz MAUXGBZVYIJATP-MLRMMBSGSA-N 2 0 227.352 0.418 20 0 BCADRP CO[C@@H]1CCN(Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000300043101 386872664 /nfs/dbraw/zinc/87/26/64/386872664.db2.gz USNMBECRVDPUMK-MRVPVSSYSA-N 2 0 240.307 0.484 20 0 BCADRP CN(C(=O)[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000335748658 386872991 /nfs/dbraw/zinc/87/29/91/386872991.db2.gz JSLDDHPCFWHWFQ-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]C1(CN[C@H]2CC[NH2+]C2)CCCCCC1 ZINC000334837367 386878288 /nfs/dbraw/zinc/87/82/88/386878288.db2.gz LDJICPNHZZVPTB-NSHDSACASA-N 2 0 211.353 0.990 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000331746177 386890649 /nfs/dbraw/zinc/89/06/49/386890649.db2.gz DBYOWNLCCYCFLU-LPEHRKFASA-N 2 0 240.351 0.258 20 0 BCADRP C[C@@]1(CNC(=O)[C@H]([NH3+])C2CCC2)CCC[NH2+]C1 ZINC000331827178 386913569 /nfs/dbraw/zinc/91/35/69/386913569.db2.gz CURSKYZOOZMXSS-DGCLKSJQSA-N 2 0 239.363 0.620 20 0 BCADRP CC[C@@H](C(=O)N1CCN(C)C[C@@H]1C)[NH+](C)C ZINC000335760904 386898104 /nfs/dbraw/zinc/89/81/04/386898104.db2.gz SWGOYPXHQUUMSQ-QWRGUYRKSA-N 2 0 227.352 0.489 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000418011572 386898226 /nfs/dbraw/zinc/89/82/26/386898226.db2.gz XADZEOQSPWNBHA-NAKRPEOUSA-N 2 0 242.367 0.504 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000336739776 386898307 /nfs/dbraw/zinc/89/83/07/386898307.db2.gz LSAKFAQYUPCAPF-CIUDSAMLSA-N 2 0 231.365 0.015 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCN(C)C(=O)C2)CC[NH2+]1 ZINC000334852869 386903014 /nfs/dbraw/zinc/90/30/14/386903014.db2.gz BKJNDGJXJNLGIV-MNOVXSKESA-N 2 0 225.336 0.149 20 0 BCADRP Cc1nccn1CC[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000334853550 386904947 /nfs/dbraw/zinc/90/49/47/386904947.db2.gz XNVPNDZLQZUNPL-NSHDSACASA-N 2 0 221.304 0.648 20 0 BCADRP [NH3+]CCCN1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000334860427 386913018 /nfs/dbraw/zinc/91/30/18/386913018.db2.gz SJAQZVMVNQXODF-ZJUUUORDSA-N 2 0 211.309 0.078 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368155631 386946756 /nfs/dbraw/zinc/94/67/56/386946756.db2.gz PKGSHSJCNQCZRR-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368142039 386946831 /nfs/dbraw/zinc/94/68/31/386946831.db2.gz ORROZHGZYQVSPG-VIFPVBQESA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1[C@H](NC(=O)N[C@H]2CC[NH2+]C2)CCC[N@@H+]1C ZINC000418013790 386921490 /nfs/dbraw/zinc/92/14/90/386921490.db2.gz ZQPVRIPNUXOEKC-OUAUKWLOSA-N 2 0 240.351 0.130 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N1CCC[NH2+]CC1 ZINC000331903010 386924643 /nfs/dbraw/zinc/92/46/43/386924643.db2.gz ROGBRSJFIRTNMO-UHFFFAOYSA-N 2 0 242.367 0.509 20 0 BCADRP CC(=O)NCCC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000336762454 386926531 /nfs/dbraw/zinc/92/65/31/386926531.db2.gz ODZTWIUHIUVITH-KOLCDFICSA-N 2 0 213.325 0.052 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CCCO[C@@H](C[NH3+])C1 ZINC000331932529 386926768 /nfs/dbraw/zinc/92/67/68/386926768.db2.gz HSFOJIBNYISEDS-RYUDHWBXSA-N 2 0 229.368 0.409 20 0 BCADRP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368088903 386939990 /nfs/dbraw/zinc/93/99/90/386939990.db2.gz GQHVVPSWWVCJHG-UTUOFQBUSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368111927 386940917 /nfs/dbraw/zinc/94/09/17/386940917.db2.gz AGAZXBAEHCZFRX-ZMLRMANQSA-N 2 0 239.363 0.346 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000368112110 386942246 /nfs/dbraw/zinc/94/22/46/386942246.db2.gz BEOACKSFXWUMIY-WDEREUQCSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@H](CO)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000332056507 386952490 /nfs/dbraw/zinc/95/24/90/386952490.db2.gz XIGBADMQDDUDEA-GARJFASQSA-N 2 0 200.326 0.864 20 0 BCADRP Cn1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)n1 ZINC000368221954 386953638 /nfs/dbraw/zinc/95/36/38/386953638.db2.gz JWEMYIFMPAGPGH-SECBINFHSA-N 2 0 231.303 0.790 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000332163856 386963606 /nfs/dbraw/zinc/96/36/06/386963606.db2.gz RPBOLKMHRFIDTL-DCAQKATOSA-N 2 0 239.363 0.570 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000518976296 386965179 /nfs/dbraw/zinc/96/51/79/386965179.db2.gz MEECTJZXAUUFHY-FOGDFJRCSA-N 2 0 227.352 0.761 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000518976298 386965931 /nfs/dbraw/zinc/96/59/31/386965931.db2.gz MEECTJZXAUUFHY-SCVCMEIPSA-N 2 0 227.352 0.761 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368377719 386966798 /nfs/dbraw/zinc/96/67/98/386966798.db2.gz NPANFIGYFYIXEU-NXEZZACHSA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@@H](C(=O)N1CCN(CC)C[C@H]1C)[NH+](C)C ZINC000341826327 386969037 /nfs/dbraw/zinc/96/90/37/386969037.db2.gz RZSDEJLIWSQCGW-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](CO)C1CCCC1 ZINC000395189314 386971990 /nfs/dbraw/zinc/97/19/90/386971990.db2.gz HNTLYAPTGATEMN-STQMWFEESA-N 2 0 244.379 0.881 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000341888826 386983470 /nfs/dbraw/zinc/98/34/70/386983470.db2.gz NGXAERZNAXLGEZ-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+](CC)CC ZINC000353018853 386988835 /nfs/dbraw/zinc/98/88/35/386988835.db2.gz AFPYJRQLXAGGQZ-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000332605501 386993037 /nfs/dbraw/zinc/99/30/37/386993037.db2.gz BVNPOAZCHOSTBO-WHOHXGKFSA-N 2 0 239.363 0.569 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000332605499 386993100 /nfs/dbraw/zinc/99/31/00/386993100.db2.gz BVNPOAZCHOSTBO-USZNOCQGSA-N 2 0 239.363 0.569 20 0 BCADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000368644235 386997463 /nfs/dbraw/zinc/99/74/63/386997463.db2.gz CJYCUBJCTSPKQN-KZGGJPNESA-N 2 0 249.358 0.241 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000334923075 386999052 /nfs/dbraw/zinc/99/90/52/386999052.db2.gz AHFDFBWNXIWKJR-SNVBAGLBSA-N 2 0 240.351 0.391 20 0 BCADRP C[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000368199690 386949351 /nfs/dbraw/zinc/94/93/51/386949351.db2.gz GQWWGUFRWIQINH-QWRGUYRKSA-N 2 0 243.326 0.144 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368210774 386950312 /nfs/dbraw/zinc/95/03/12/386950312.db2.gz DKIGZAZMDUSVOX-HBNTYKKESA-N 2 0 237.347 0.372 20 0 BCADRP C[C@H](CO)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000332056506 386951332 /nfs/dbraw/zinc/95/13/32/386951332.db2.gz XIGBADMQDDUDEA-DCAQKATOSA-N 2 0 200.326 0.864 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000519180018 387031034 /nfs/dbraw/zinc/03/10/34/387031034.db2.gz GJYUTDRFEOVILI-IUCAKERBSA-N 2 0 213.325 0.099 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000399005912 387036042 /nfs/dbraw/zinc/03/60/42/387036042.db2.gz YBHJFGPEEJUSSM-ONGXEEELSA-N 2 0 225.336 0.182 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000399005911 387036176 /nfs/dbraw/zinc/03/61/76/387036176.db2.gz YBHJFGPEEJUSSM-MWLCHTKSSA-N 2 0 225.336 0.182 20 0 BCADRP CN(CC[NH3+])C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000334960163 387039985 /nfs/dbraw/zinc/03/99/85/387039985.db2.gz GAODJEHMZYMYBF-GFCCVEGCSA-N 2 0 233.315 0.118 20 0 BCADRP CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070074182 387042741 /nfs/dbraw/zinc/04/27/41/387042741.db2.gz LFYSRASCGPPNEX-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000334965468 387046461 /nfs/dbraw/zinc/04/64/61/387046461.db2.gz CSBIGFRBTGNEIK-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000333663101 387048505 /nfs/dbraw/zinc/04/85/05/387048505.db2.gz LWMPSLXPJIEOOH-MNOVXSKESA-N 2 0 240.351 0.132 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648107886 387050000 /nfs/dbraw/zinc/05/00/00/387050000.db2.gz ZDCBBJUAIJLDGW-OPRDCNLKSA-N 2 0 213.325 0.180 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333735769 387052301 /nfs/dbraw/zinc/05/23/01/387052301.db2.gz WXBPOBXEGXRJBB-GHMZBOCLSA-N 2 0 240.351 0.261 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)[C@H](C)C[NH2+]1 ZINC000648108058 387052995 /nfs/dbraw/zinc/05/29/95/387052995.db2.gz VYBBBKBUORWPAM-OPRDCNLKSA-N 2 0 225.336 0.193 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399067453 387053767 /nfs/dbraw/zinc/05/37/67/387053767.db2.gz KWXYLSUWLUCDNY-ONGXEEELSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000333827323 387057913 /nfs/dbraw/zinc/05/79/13/387057913.db2.gz LWMPSLXPJIEOOH-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@]2(O)CCO[C@H]2C)CC1 ZINC000228052539 387063560 /nfs/dbraw/zinc/06/35/60/387063560.db2.gz ZAOKGURGLBBIAZ-WCQYABFASA-N 2 0 242.363 0.600 20 0 BCADRP C[C@H](C[C@H](C)O)[NH2+]Cc1cnc(N(C)C)n1C ZINC000228065483 387063661 /nfs/dbraw/zinc/06/36/61/387063661.db2.gz VRGAWYRNZWVGPS-ZJUUUORDSA-N 2 0 240.351 0.735 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000070318029 387065014 /nfs/dbraw/zinc/06/50/14/387065014.db2.gz FVAZWIWUWMKIBP-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000514603957 387009959 /nfs/dbraw/zinc/00/99/59/387009959.db2.gz BNMUUJXJSZGGMD-HOSYDEDBSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@@H](C(=O)NCC[NH+](C)C)[C@@H](C)[NH3+] ZINC000399483412 387012575 /nfs/dbraw/zinc/01/25/75/387012575.db2.gz CUIWLXIEXGVPSN-NXEZZACHSA-N 2 0 215.341 0.284 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000368806468 387012954 /nfs/dbraw/zinc/01/29/54/387012954.db2.gz NZPVEXIRFFKWPM-ZYHUDNBSSA-N 2 0 225.336 0.054 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000334940305 387017531 /nfs/dbraw/zinc/01/75/31/387017531.db2.gz WTPYNROUIZFUNY-MNOVXSKESA-N 2 0 240.351 0.132 20 0 BCADRP CC(C)([NH3+])CCC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000648103348 387018958 /nfs/dbraw/zinc/01/89/58/387018958.db2.gz UZFCAQCGXSSAEZ-NSHDSACASA-N 2 0 239.363 0.857 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000519165899 387024696 /nfs/dbraw/zinc/02/46/96/387024696.db2.gz IAOJOXKQWMIUQB-LOWDOPEQSA-N 3 0 241.379 0.016 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648105471 387025307 /nfs/dbraw/zinc/02/53/07/387025307.db2.gz BDBRBEWWMRTXEJ-VIFPVBQESA-N 2 0 249.305 0.347 20 0 BCADRP [NH3+][C@H]1C[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc21 ZINC000333280409 387025408 /nfs/dbraw/zinc/02/54/08/387025408.db2.gz MIWLLCKBFWCKKU-MEBFFEOJSA-N 2 0 229.327 0.939 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000333296317 387026770 /nfs/dbraw/zinc/02/67/70/387026770.db2.gz PKSSICGZWHCOKN-JBLDHEPKSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000070315876 387066167 /nfs/dbraw/zinc/06/61/67/387066167.db2.gz QOIACBXZICIWOV-JTQLQIEISA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000369885321 387075497 /nfs/dbraw/zinc/07/54/97/387075497.db2.gz XUFSAZXUUASIKG-KXUCPTDWSA-N 2 0 231.315 0.143 20 0 BCADRP CN(C)C(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000334994949 387086749 /nfs/dbraw/zinc/08/67/49/387086749.db2.gz BPRHUKRSRYPBLM-LBPRGKRZSA-N 2 0 239.363 0.396 20 0 BCADRP CC[N@H+](CCNC(=O)N[C@H](C)C[NH3+])C1CC1 ZINC000417434088 387098359 /nfs/dbraw/zinc/09/83/59/387098359.db2.gz WRBRIWQHXRQOTC-SECBINFHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071377518 387103060 /nfs/dbraw/zinc/10/30/60/387103060.db2.gz VNNOVGLLTQRPDB-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000071378603 387103128 /nfs/dbraw/zinc/10/31/28/387103128.db2.gz YLRDMICILQVRAD-GFCCVEGCSA-N 2 0 239.363 0.729 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000645666136 387112790 /nfs/dbraw/zinc/11/27/90/387112790.db2.gz MDVIOSRTPFSTFW-ZJUUUORDSA-N 2 0 225.336 0.052 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000334950418 387114701 /nfs/dbraw/zinc/11/47/01/387114701.db2.gz KZUNOIBTWXULMB-NXEZZACHSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250357757 387114844 /nfs/dbraw/zinc/11/48/44/387114844.db2.gz QCAKRCUKYMGVKX-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418361084 387119299 /nfs/dbraw/zinc/11/92/99/387119299.db2.gz ACVJOOKSYLDHTD-GHMZBOCLSA-N 2 0 242.367 0.283 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1CC[NH2+]CC1 ZINC000186809036 387141957 /nfs/dbraw/zinc/14/19/57/387141957.db2.gz IPNVCGLLIUXUGL-ONGXEEELSA-N 2 0 225.336 0.100 20 0 BCADRP C1CC1[C@H](N[C@H]1CCC[NH2+]C1)[C@H]1C[NH2+]CCO1 ZINC000423308448 387142731 /nfs/dbraw/zinc/14/27/31/387142731.db2.gz XZGRVBPTJHVQJQ-XQQFMLRXSA-N 2 0 239.363 0.095 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000119597215 387143548 /nfs/dbraw/zinc/14/35/48/387143548.db2.gz ZSPBXAFYDWOZQI-LBPRGKRZSA-N 2 0 243.326 0.241 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000353155400 387144596 /nfs/dbraw/zinc/14/45/96/387144596.db2.gz AYEGHHSHWJANNC-UTUOFQBUSA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@H]([NH2+]CC1C[NH2+]C1)C1(C(=O)OC)CCC1 ZINC000423309017 387147089 /nfs/dbraw/zinc/14/70/89/387147089.db2.gz YMJDTVXPTAGRQZ-NSHDSACASA-N 2 0 240.347 0.917 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000353168552 387148096 /nfs/dbraw/zinc/14/80/96/387148096.db2.gz NGUMBKUDZMBQGM-WOPDTQHZSA-N 2 0 239.363 0.489 20 0 BCADRP CCC[NH2+]CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000423312651 387152280 /nfs/dbraw/zinc/15/22/80/387152280.db2.gz SITSTACOWOVAAB-NEPJUHHUSA-N 2 0 213.369 0.964 20 0 BCADRP CCC[NH2+]CCN[C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423315290 387153889 /nfs/dbraw/zinc/15/38/89/387153889.db2.gz XFGLUKVLQYDWIJ-VXGBXAGGSA-N 2 0 229.368 0.343 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000353210340 387157885 /nfs/dbraw/zinc/15/78/85/387157885.db2.gz YYWOWFMCYVZENB-JQWIXIFHSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000571761077 387162869 /nfs/dbraw/zinc/16/28/69/387162869.db2.gz FFWQBSSGVOKYTH-ZYHUDNBSSA-N 2 0 247.342 0.955 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH3+] ZINC000571761613 387162966 /nfs/dbraw/zinc/16/29/66/387162966.db2.gz SDSRFCAXZUHWHY-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP CN(CC[NH3+])C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000571777515 387169681 /nfs/dbraw/zinc/16/96/81/387169681.db2.gz SBDIWUKAXSTQSZ-LBPRGKRZSA-N 2 0 233.315 0.291 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@H]([NH3+])C1CC1 ZINC000423327436 387169844 /nfs/dbraw/zinc/16/98/44/387169844.db2.gz RODRJMHAULVXKR-ICCXJUOJSA-N 2 0 223.364 0.796 20 0 BCADRP C[C@@H]1CN(C(=O)c2coc(C[NH3+])c2)C[C@@H](C)[NH2+]1 ZINC000187178109 387172891 /nfs/dbraw/zinc/17/28/91/387172891.db2.gz VBCIPSUFXCYKDU-RKDXNWHRSA-N 2 0 237.303 0.561 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000571802209 387173364 /nfs/dbraw/zinc/17/33/64/387173364.db2.gz IRWRYWNMYBZYPE-AXFHLTTASA-N 2 0 227.352 0.761 20 0 BCADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCC(=O)N1 ZINC000571820413 387177256 /nfs/dbraw/zinc/17/72/56/387177256.db2.gz CJKNGIIIBYPJQE-CKYFFXLPSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCCC[NH3+] ZINC000423333037 387178060 /nfs/dbraw/zinc/17/80/60/387178060.db2.gz NTPUJCPJCZFXHC-ZYHUDNBSSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062901824 387178748 /nfs/dbraw/zinc/17/87/48/387178748.db2.gz LKKKYWLCMAJAAT-CMPLNLGQSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000336354049 387183411 /nfs/dbraw/zinc/18/34/11/387183411.db2.gz TWUMMJSFUQPITH-VIFPVBQESA-N 2 0 233.315 0.709 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000371261911 387184022 /nfs/dbraw/zinc/18/40/22/387184022.db2.gz FNTMVNVSWPHLPU-QJPTWQEYSA-N 2 0 239.363 0.809 20 0 BCADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCO ZINC000371295805 387186155 /nfs/dbraw/zinc/18/61/55/387186155.db2.gz VEHGALUOJVWTFZ-FRRDWIJNSA-N 2 0 242.363 0.552 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1(C)C[NH2+]C1 ZINC000423337258 387186272 /nfs/dbraw/zinc/18/62/72/387186272.db2.gz UBNQBNVVMDTZEC-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000571879959 387191755 /nfs/dbraw/zinc/19/17/55/387191755.db2.gz DUJSTDNMMIMELF-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[C@H](C[NH3+])CN[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423300383 387133429 /nfs/dbraw/zinc/13/34/29/387133429.db2.gz RLSRYZSQRMEVCA-SCVCMEIPSA-N 2 0 211.353 0.654 20 0 BCADRP CCCCNC(=O)CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228986234 387137431 /nfs/dbraw/zinc/13/74/31/387137431.db2.gz JLRNASZCEPXMEN-NEPJUHHUSA-N 2 0 241.379 0.819 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000370740798 387138027 /nfs/dbraw/zinc/13/80/27/387138027.db2.gz OZUMAQZMCKMOHU-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000370740799 387138397 /nfs/dbraw/zinc/13/83/97/387138397.db2.gz OZUMAQZMCKMOHU-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP COC[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000300409844 387205469 /nfs/dbraw/zinc/20/54/69/387205469.db2.gz BZBKUXGHTDSPSR-FVCCEPFGSA-N 2 0 244.379 0.702 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423353592 387205468 /nfs/dbraw/zinc/20/54/68/387205468.db2.gz LZBXUHXCPXUBQS-LOWVWBTDSA-N 2 0 239.363 0.585 20 0 BCADRP COC[C@H](CCO)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000300409848 387206028 /nfs/dbraw/zinc/20/60/28/387206028.db2.gz BZBKUXGHTDSPSR-ZDEQEGDKSA-N 2 0 244.379 0.702 20 0 BCADRP CCC(CC)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000571939396 387206556 /nfs/dbraw/zinc/20/65/56/387206556.db2.gz LLMAROOMAMJWQE-RYUDHWBXSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@H]1C[NH2+]CC[C@H]1C ZINC000423357130 387207028 /nfs/dbraw/zinc/20/70/28/387207028.db2.gz HUJDKORRHKQFJS-LPWJVIDDSA-N 2 0 241.379 0.341 20 0 BCADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NCC[NH2+]C ZINC000418200261 387211309 /nfs/dbraw/zinc/21/13/09/387211309.db2.gz KITTZWFRQMLCKI-NSHDSACASA-N 2 0 244.383 0.625 20 0 BCADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)C[NH3+] ZINC000418200738 387211555 /nfs/dbraw/zinc/21/15/55/387211555.db2.gz QKMXAMRCGRLFLO-GHMZBOCLSA-N 2 0 244.383 0.753 20 0 BCADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC[NH2+]C ZINC000418199641 387212560 /nfs/dbraw/zinc/21/25/60/387212560.db2.gz OEWSTFCSTQOHMD-LLVKDONJSA-N 2 0 244.383 0.625 20 0 BCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH2+]CC1 ZINC000418196676 387217919 /nfs/dbraw/zinc/21/79/19/387217919.db2.gz ICVGWQNFMIYNIY-NSHDSACASA-N 2 0 242.367 0.330 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000572003985 387219034 /nfs/dbraw/zinc/21/90/34/387219034.db2.gz ZBASXEYYSDOHBI-WZRBSPASSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423398330 387231493 /nfs/dbraw/zinc/23/14/93/387231493.db2.gz UIRAZIQCDUGPOT-KKOKHZNYSA-N 2 0 211.353 0.796 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423406266 387244029 /nfs/dbraw/zinc/24/40/29/387244029.db2.gz UOEQPXOWUKXKGO-LMLFDSFASA-N 2 0 200.326 0.997 20 0 BCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423410899 387246220 /nfs/dbraw/zinc/24/62/20/387246220.db2.gz ARAAPPVANLOZFR-BYNQJWBRSA-N 2 0 249.358 0.434 20 0 BCADRP COCC[NH2+]CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423345077 387195802 /nfs/dbraw/zinc/19/58/02/387195802.db2.gz XKYZMTFNAYMZSC-NEPJUHHUSA-N 2 0 229.368 0.330 20 0 BCADRP COCC[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000423374257 387196640 /nfs/dbraw/zinc/19/66/40/387196640.db2.gz JQXUMFAMCDVNGZ-RWMBFGLXSA-N 2 0 241.379 0.437 20 0 BCADRP CCOC[C@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423463902 387313185 /nfs/dbraw/zinc/31/31/85/387313185.db2.gz WNGNUXZIBJFTHV-LBELIVKGSA-N 2 0 224.348 0.999 20 0 BCADRP Cc1noc(CCC[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000514938590 387319059 /nfs/dbraw/zinc/31/90/59/387319059.db2.gz MRYRYAMYBPAGOU-ONGXEEELSA-N 2 0 238.335 0.980 20 0 BCADRP C[C@]([NH3+])(C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000195231472 387315614 /nfs/dbraw/zinc/31/56/14/387315614.db2.gz IMEFXTOGVMQBKH-DGCLKSJQSA-N 2 0 233.315 0.420 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188185965 387256855 /nfs/dbraw/zinc/25/68/55/387256855.db2.gz WGVUUHQKFQPAIC-CHWFTXMASA-N 2 0 243.326 0.272 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188186560 387257537 /nfs/dbraw/zinc/25/75/37/387257537.db2.gz DOWGRWMDRDCMTL-DTWKUNHWSA-N 2 0 231.315 0.320 20 0 BCADRP C[C@@H](N[C@@H](C)C[NH3+])c1ccc(-n2cnnn2)cc1 ZINC000423381405 387262373 /nfs/dbraw/zinc/26/23/73/387262373.db2.gz ZQDQRAUDVJJEML-VHSXEESVSA-N 2 0 246.318 0.660 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000645684864 387269688 /nfs/dbraw/zinc/26/96/88/387269688.db2.gz JSOMRTBYEPSAAP-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000645684893 387270233 /nfs/dbraw/zinc/27/02/33/387270233.db2.gz LXDGDUHNVNKYNB-VHSXEESVSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000372120823 387272560 /nfs/dbraw/zinc/27/25/60/387272560.db2.gz FZEPYGMGLSBVQH-QWRGUYRKSA-N 2 0 231.315 0.178 20 0 BCADRP C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC000423388165 387273118 /nfs/dbraw/zinc/27/31/18/387273118.db2.gz UBJPURFSKPPYBO-IRCOFANPSA-N 2 0 211.353 0.715 20 0 BCADRP CC[NH2+]CCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000520808688 387273806 /nfs/dbraw/zinc/27/38/06/387273806.db2.gz AJSZCROBZWHBEA-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423432596 387284708 /nfs/dbraw/zinc/28/47/08/387284708.db2.gz OPQVHAYGUCXCCW-FTUHBYGFSA-N 2 0 249.358 0.337 20 0 BCADRP CC[NH2+]CCC[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000643499230 387286702 /nfs/dbraw/zinc/28/67/02/387286702.db2.gz LOHAVVMUYDEGQL-RYUDHWBXSA-N 2 0 229.368 0.343 20 0 BCADRP C[C@H]1CCNC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423435038 387286930 /nfs/dbraw/zinc/28/69/30/387286930.db2.gz OLJANQUZSCCDLX-DEQVHRJGSA-N 2 0 237.391 0.962 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)C12CCC[NH+]1CCC2 ZINC000423455638 387303605 /nfs/dbraw/zinc/30/36/05/387303605.db2.gz MSLFVDCDTFOTRA-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000648121501 387308901 /nfs/dbraw/zinc/30/89/01/387308901.db2.gz QRJJCFZQUKROLS-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423536228 387360358 /nfs/dbraw/zinc/36/03/58/387360358.db2.gz HDQRYWGUCFOPTD-KOLCDFICSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1NCCC[NH2+]C1CC1 ZINC000423533052 387361512 /nfs/dbraw/zinc/36/15/12/387361512.db2.gz WMQFHUKSALWMGR-PWSUYJOCSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@H]1CCCC[NH2+]1 ZINC000643502234 387364484 /nfs/dbraw/zinc/36/44/84/387364484.db2.gz AQBZTJKMRCHJHK-UPJWGTAASA-N 2 0 241.379 0.485 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423545752 387367664 /nfs/dbraw/zinc/36/76/64/387367664.db2.gz PEPVRGHOUUHYDR-ITGHMWBKSA-N 2 0 237.391 0.914 20 0 BCADRP O=C1OCC[C@H]2CCN(CCn3ccnc3)[C@@H]12 ZINC000373449274 387372337 /nfs/dbraw/zinc/37/23/37/387372337.db2.gz UJGSZCCPSDJXNS-GHMZBOCLSA-N 2 0 235.287 0.521 20 0 BCADRP C[N@H+](CCNC(=O)CC[NH3+])Cc1ccccc1 ZINC000263230102 387374088 /nfs/dbraw/zinc/37/40/88/387374088.db2.gz BWYIUCFQBAFDNX-UHFFFAOYSA-N 2 0 235.331 0.583 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NCCC[NH2+]C1CC1 ZINC000423567941 387377885 /nfs/dbraw/zinc/37/78/85/387377885.db2.gz VLYXFQUFGRFHEL-JQWIXIFHSA-N 2 0 211.353 0.846 20 0 BCADRP CC1(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[NH2+]C1 ZINC000423577590 387379478 /nfs/dbraw/zinc/37/94/78/387379478.db2.gz SJALZFQSVDMRNM-DCAQKATOSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NCCC[NH2+]C1CC1 ZINC000423572700 387381092 /nfs/dbraw/zinc/38/10/92/387381092.db2.gz YOTFTBCJPDEFES-CMPLNLGQSA-N 2 0 211.353 0.716 20 0 BCADRP COC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C(C)C ZINC000423485372 387330604 /nfs/dbraw/zinc/33/06/04/387330604.db2.gz APHYWDZGAGIUMG-RYUDHWBXSA-N 2 0 230.352 0.626 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000354156111 387337855 /nfs/dbraw/zinc/33/78/55/387337855.db2.gz VPSKSYROLJBGEQ-ZJUUUORDSA-N 2 0 213.325 0.147 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423494398 387338595 /nfs/dbraw/zinc/33/85/95/387338595.db2.gz DDBSQFIOVVPFCR-WYUUTHIRSA-N 2 0 211.353 0.701 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[C@H](C)[NH3+] ZINC000423497616 387340231 /nfs/dbraw/zinc/34/02/31/387340231.db2.gz AHPNEEGNOSTMHT-BJDJZHNGSA-N 2 0 241.379 0.802 20 0 BCADRP C[C@@H](NC[C@H]1C[NH2+]CCN1C)[C@@H]1CCCC[NH2+]1 ZINC000423507102 387345530 /nfs/dbraw/zinc/34/55/30/387345530.db2.gz HPJYHWYXOZNWIF-UPJWGTAASA-N 2 0 240.395 0.010 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H](C)C[NH3+] ZINC000515223183 387347151 /nfs/dbraw/zinc/34/71/51/387347151.db2.gz JMQLBSCSWFHZNL-GHMZBOCLSA-N 2 0 242.367 0.317 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)NCCCC[NH3+] ZINC000423517002 387350344 /nfs/dbraw/zinc/35/03/44/387350344.db2.gz YKEASLFKODCCPP-UHFFFAOYSA-N 2 0 236.319 0.616 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]([NH3+])CC ZINC000423779226 387425502 /nfs/dbraw/zinc/42/55/02/387425502.db2.gz UZAMCONVDOIEKQ-QWRGUYRKSA-N 2 0 229.368 0.960 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000423781345 387425643 /nfs/dbraw/zinc/42/56/43/387425643.db2.gz XIFPQXMMQIHWKF-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C[C@@H](C)[NH3+] ZINC000423781832 387425934 /nfs/dbraw/zinc/42/59/34/387425934.db2.gz YAOOWUXBSAKJRY-MNOVXSKESA-N 2 0 229.368 0.960 20 0 BCADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C[NH3+] ZINC000423792178 387427851 /nfs/dbraw/zinc/42/78/51/387427851.db2.gz CXQSTKBDSZCFBM-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000643469708 387428422 /nfs/dbraw/zinc/42/84/22/387428422.db2.gz BXYUYBBORNZXAH-PWSUYJOCSA-N 2 0 239.363 0.762 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000423816545 387432679 /nfs/dbraw/zinc/43/26/79/387432679.db2.gz KABWZRVUHGVEGB-GFCCVEGCSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000515842919 387432959 /nfs/dbraw/zinc/43/29/59/387432959.db2.gz IBAAPGJZHZJQCC-ZYHUDNBSSA-N 2 0 227.352 0.620 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000423842230 387433553 /nfs/dbraw/zinc/43/35/53/387433553.db2.gz GVPJVBAPVGMLJC-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000423845213 387434574 /nfs/dbraw/zinc/43/45/74/387434574.db2.gz KDAPGKCKIJEDCF-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000648124285 387436067 /nfs/dbraw/zinc/43/60/67/387436067.db2.gz WROSQGYVRICSQO-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)C(C)(C)[NH3+] ZINC000423856398 387437461 /nfs/dbraw/zinc/43/74/61/387437461.db2.gz YFXFTKQHLSJQGZ-UHFFFAOYSA-N 2 0 213.325 0.276 20 0 BCADRP C[NH+](C)CC1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000304207808 387448614 /nfs/dbraw/zinc/44/86/14/387448614.db2.gz DHCXZLSCHUZIMS-NWDGAFQWSA-N 2 0 228.336 0.020 20 0 BCADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)C[NH+](C)C ZINC000423947992 387454467 /nfs/dbraw/zinc/45/44/67/387454467.db2.gz WPEXOUMWKOWRFM-CYBMUJFWSA-N 2 0 249.358 0.927 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000423950286 387456635 /nfs/dbraw/zinc/45/66/35/387456635.db2.gz NSRDMTUVQBTDCA-LLVKDONJSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H](C(=O)N(C)CCC[NH+](C)C)[NH+]1CC(C)C1 ZINC000516086222 387457068 /nfs/dbraw/zinc/45/70/68/387457068.db2.gz WDUYQLVIXCFMCI-GFCCVEGCSA-N 2 0 241.379 0.737 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000423950288 387457529 /nfs/dbraw/zinc/45/75/29/387457529.db2.gz NSRDMTUVQBTDCA-NSHDSACASA-N 2 0 227.352 0.522 20 0 BCADRP CCC[C@H](C(=O)N1CC[C@](C)(C[NH3+])C1)[NH+](C)C ZINC000423611891 387387650 /nfs/dbraw/zinc/38/76/50/387387650.db2.gz ORZFXTZULBWUQB-DGCLKSJQSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000423633906 387389689 /nfs/dbraw/zinc/38/96/89/387389689.db2.gz MGYHHZCOIODJCE-CKYFFXLPSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CC[NH2+]C1CC1 ZINC000515498109 387391253 /nfs/dbraw/zinc/39/12/53/387391253.db2.gz DSKOWZYGJRGLJY-GBIKHYSHSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423656526 387392461 /nfs/dbraw/zinc/39/24/61/387392461.db2.gz XAIJRQSEYNFKMA-DDHJBXDOSA-N 2 0 239.363 0.807 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@H](C)[C@H]([NH3+])C1)[NH+](C)C ZINC000423971794 387460121 /nfs/dbraw/zinc/46/01/21/387460121.db2.gz HKBNZTWGCVWLFK-HBNTYKKESA-N 2 0 227.352 0.378 20 0 BCADRP CCC[C@H](C(=O)N[C@H](C)[C@@H](C)[NH3+])[NH+](C)C ZINC000423672548 387393570 /nfs/dbraw/zinc/39/35/70/387393570.db2.gz DXGFDVUGDCWNES-OPRDCNLKSA-N 2 0 215.341 0.569 20 0 BCADRP C[C@H]1CCN(C(=O)CC2(C[NH3+])CC2)[C@@H](C[NH3+])C1 ZINC000423671455 387394323 /nfs/dbraw/zinc/39/43/23/387394323.db2.gz WQBJSSUVDKOJSB-WDEREUQCSA-N 2 0 239.363 0.701 20 0 BCADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2c[nH+]cn2c1 ZINC000423668566 387394330 /nfs/dbraw/zinc/39/43/30/387394330.db2.gz QHPLKNKDZQUNPE-GDNZZTSVSA-N 2 0 242.282 0.282 20 0 BCADRP CCC[C@H](C(=O)NC[C@H]([NH3+])CC)[NH+](C)C ZINC000423676273 387395119 /nfs/dbraw/zinc/39/51/19/387395119.db2.gz IQFWTKICEUDTEA-NXEZZACHSA-N 2 0 215.341 0.570 20 0 BCADRP CCC[C@@H](C(=O)N[C@H](C)CCC[NH3+])[NH+](C)C ZINC000423678517 387395356 /nfs/dbraw/zinc/39/53/56/387395356.db2.gz JCIPCXWCUUVARL-MNOVXSKESA-N 2 0 229.368 0.960 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000423740683 387405486 /nfs/dbraw/zinc/40/54/86/387405486.db2.gz JESZPWSFXPSACW-SRVKXCTJSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH+](C)C1CN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000336585000 387410753 /nfs/dbraw/zinc/41/07/53/387410753.db2.gz IAIGATWYFANFER-UHFFFAOYSA-N 2 0 239.363 0.491 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000336597767 387422294 /nfs/dbraw/zinc/42/22/94/387422294.db2.gz WJLKHKNHEYFAEA-NWDGAFQWSA-N 2 0 237.347 0.435 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000423778917 387422487 /nfs/dbraw/zinc/42/24/87/387422487.db2.gz UNXHZFJCRJQFRD-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CCC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000423773365 387422525 /nfs/dbraw/zinc/42/25/25/387422525.db2.gz LYMSTJOBTXACNM-NSHDSACASA-N 2 0 227.352 0.395 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C1CC[NH2+]CC1 ZINC000237413635 387502673 /nfs/dbraw/zinc/50/26/73/387502673.db2.gz UAICEVMRSZRREL-JQWIXIFHSA-N 2 0 239.363 0.714 20 0 BCADRP COC[C@H](CCO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408718 387520351 /nfs/dbraw/zinc/52/03/51/387520351.db2.gz KJZWSUIFIAPKKQ-AVGNSLFASA-N 2 0 242.363 0.600 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000361727776 387526353 /nfs/dbraw/zinc/52/63/53/387526353.db2.gz MLURNTAIWDMCTE-LBPRGKRZSA-N 2 0 245.326 0.042 20 0 BCADRP C[C@@H](C(=O)N(C)CC[NH3+])[NH+]1CCCCCC1 ZINC000424003582 387464137 /nfs/dbraw/zinc/46/41/37/387464137.db2.gz LKUZRAXOIKNBSF-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP CN(CC[NH3+])C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000424000663 387464787 /nfs/dbraw/zinc/46/47/87/387464787.db2.gz MGLXREKBAXALPX-LLVKDONJSA-N 2 0 227.352 0.701 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+]CC1(C)COC1 ZINC000352743189 387468788 /nfs/dbraw/zinc/46/87/88/387468788.db2.gz UCJWBTFTLKDWCZ-UHFFFAOYSA-N 2 0 244.379 0.971 20 0 BCADRP C[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424060568 387470155 /nfs/dbraw/zinc/47/01/55/387470155.db2.gz QANYTTKBMFBNPZ-ZJUUUORDSA-N 2 0 219.288 0.692 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)[C@@H](C)[NH3+] ZINC000424045121 387470650 /nfs/dbraw/zinc/47/06/50/387470650.db2.gz LUPBILIYUNQUAM-DDHJBXDOSA-N 2 0 241.379 0.863 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3CC[NH2+]C3)C[C@@H]21 ZINC000374628332 387473470 /nfs/dbraw/zinc/47/34/70/387473470.db2.gz FRIDYVPQLJRCOP-WISYIIOYSA-N 2 0 237.347 0.182 20 0 BCADRP [NH3+]CCCNC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000516166945 387475043 /nfs/dbraw/zinc/47/50/43/387475043.db2.gz CJBQTEWADQZREQ-LBPRGKRZSA-N 2 0 235.331 0.412 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NCC[NH2+]C1CC1 ZINC000643508268 387481390 /nfs/dbraw/zinc/48/13/90/387481390.db2.gz ZRZNJFHQZKCTOJ-ZYHUDNBSSA-N 2 0 211.353 0.846 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])C1CCCCC1 ZINC000424081261 387481953 /nfs/dbraw/zinc/48/19/53/387481953.db2.gz UYKJVIIVFBHKCB-VWYCJHECSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@H](NCC[NH2+]C1CC1)[C@H]1CCCC[NH2+]1 ZINC000643508078 387483952 /nfs/dbraw/zinc/48/39/52/387483952.db2.gz HZFAWQSUUWJURF-CMPLNLGQSA-N 2 0 211.353 0.859 20 0 BCADRP CC[C@H](NCC[NH2+]C1CC1)[C@@H]1CCC[NH2+]1 ZINC000643508077 387484431 /nfs/dbraw/zinc/48/44/31/387484431.db2.gz HZASFKFPLVIANO-RYUDHWBXSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000424082166 387486334 /nfs/dbraw/zinc/48/63/34/387486334.db2.gz WBALTDKKHRCGQK-FXAINCCUSA-N 2 0 233.315 0.670 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000643474568 387491118 /nfs/dbraw/zinc/49/11/18/387491118.db2.gz QEKDJEFPFMZLLK-GRYCIOLGSA-N 2 0 211.353 0.668 20 0 BCADRP CCOC[C@H](O)C[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000362182205 387581319 /nfs/dbraw/zinc/58/13/19/387581319.db2.gz BZJZNMKJNIJSRW-JHJVBQTASA-N 2 0 244.379 0.798 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000422540521 387596804 /nfs/dbraw/zinc/59/68/04/387596804.db2.gz MJEKEWKAAVMGHM-VHSXEESVSA-N 2 0 227.352 0.748 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422545763 387597377 /nfs/dbraw/zinc/59/73/77/387597377.db2.gz XVIIIANAQISBSX-RCWTZXSCSA-N 2 0 227.352 0.556 20 0 BCADRP C[NH2+]CC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422541074 387597611 /nfs/dbraw/zinc/59/76/11/387597611.db2.gz NIOAFTHCXGPQKH-BBBLOLIVSA-N 2 0 213.325 0.038 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(C)CC[NH3+] ZINC000422599961 387604334 /nfs/dbraw/zinc/60/43/34/387604334.db2.gz SFAOZTKUQQJEIV-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)NC)C1 ZINC000362385209 387606808 /nfs/dbraw/zinc/60/68/08/387606808.db2.gz ULDZQTKNVIRATM-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)NC(C)(C)CC[NH3+] ZINC000422617671 387608578 /nfs/dbraw/zinc/60/85/78/387608578.db2.gz KJIDKMRHFVDKKR-VIFPVBQESA-N 2 0 230.356 0.363 20 0 BCADRP CC[C@H](C(=O)NCC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422687642 387612619 /nfs/dbraw/zinc/61/26/19/387612619.db2.gz BQSAQUZHXFQHLY-CYBMUJFWSA-N 2 0 249.358 0.972 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]CCN1CCOC[C@@H]1C ZINC000422714138 387629412 /nfs/dbraw/zinc/62/94/12/387629412.db2.gz KRFDQXPTXHAIID-STQMWFEESA-N 2 0 243.395 0.814 20 0 BCADRP COC[C@@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422702992 387617676 /nfs/dbraw/zinc/61/76/76/387617676.db2.gz MAFIMCMNCWMFRO-GARJFASQSA-N 2 0 200.326 0.999 20 0 BCADRP COCCN1CCC[C@@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000422707621 387621126 /nfs/dbraw/zinc/62/11/26/387621126.db2.gz WSOQINRXDDGKKF-CHWSQXEVSA-N 2 0 243.395 0.814 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN1CCOC[C@H]1C ZINC000422707522 387621334 /nfs/dbraw/zinc/62/13/34/387621334.db2.gz AHJPGZFMZGQCCL-QJPTWQEYSA-N 2 0 229.368 0.423 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCN1CCSCC1 ZINC000422712495 387625906 /nfs/dbraw/zinc/62/59/06/387625906.db2.gz OILJVMSZYZYFTK-MNOVXSKESA-N 2 0 231.409 0.751 20 0 BCADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCC[NH2+]C1 ZINC000527534026 387626495 /nfs/dbraw/zinc/62/64/95/387626495.db2.gz ZCNXPCWUPHAEFK-RYUDHWBXSA-N 2 0 223.364 0.860 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000036871591 387557520 /nfs/dbraw/zinc/55/75/20/387557520.db2.gz OXLCPTGVJUFLNZ-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP CC(C)[C@@H](C(=O)NCC[N@H+](C)C1CC1)[C@@H](C)[NH3+] ZINC000399626345 387563810 /nfs/dbraw/zinc/56/38/10/387563810.db2.gz DREROQHYDLTPDK-ZYHUDNBSSA-N 2 0 241.379 0.816 20 0 BCADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000527534021 387627539 /nfs/dbraw/zinc/62/75/39/387627539.db2.gz ZCNXPCWUPHAEFK-NEPJUHHUSA-N 2 0 223.364 0.860 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000399725137 387568054 /nfs/dbraw/zinc/56/80/54/387568054.db2.gz KAEIPPLJHPEDCW-GHMZBOCLSA-N 2 0 229.368 0.674 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]CCN1CCOC[C@H]1C ZINC000422714135 387627879 /nfs/dbraw/zinc/62/78/79/387627879.db2.gz KRFDQXPTXHAIID-CHWSQXEVSA-N 2 0 243.395 0.814 20 0 BCADRP C[C@@](C[NH3+])(NCC(=O)NC1CCCC1)C1CC1 ZINC000430556848 387628002 /nfs/dbraw/zinc/62/80/02/387628002.db2.gz ZUXMYSVPJBBZFZ-ZDUSSCGKSA-N 2 0 239.363 0.762 20 0 BCADRP CC[C@H](C)[C@@H](O)C[NH2+][C@H](CCC[NH3+])COC ZINC000422718783 387631664 /nfs/dbraw/zinc/63/16/64/387631664.db2.gz XOHGBFOWLHPGCJ-TUAOUCFPSA-N 2 0 232.368 0.737 20 0 BCADRP CC[NH+](CC)CCCNC1=[NH+]CCCN1 ZINC000341644549 387633955 /nfs/dbraw/zinc/63/39/55/387633955.db2.gz XVZKAERGSQQHAK-UHFFFAOYSA-N 2 0 212.341 0.657 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)NCC2([NH3+])CCC2)cc1 ZINC000430650360 387636814 /nfs/dbraw/zinc/63/68/14/387636814.db2.gz UUYHYVIFNQJESW-GFCCVEGCSA-N 2 0 247.342 0.992 20 0 BCADRP CCCNC(=O)CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422728365 387637553 /nfs/dbraw/zinc/63/75/53/387637553.db2.gz FYRFVDFOVVCCTO-RYUDHWBXSA-N 2 0 241.379 0.880 20 0 BCADRP CCC[C@H](C(=O)N[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000422728512 387639300 /nfs/dbraw/zinc/63/93/00/387639300.db2.gz JESOFHNZHHQDMH-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000430698384 387641001 /nfs/dbraw/zinc/64/10/01/387641001.db2.gz VAUFGXGTFJJSKZ-DGCLKSJQSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CC1(C[NH3+])CC1 ZINC000422733791 387640993 /nfs/dbraw/zinc/64/09/93/387640993.db2.gz RHPPJDVSXQGDPD-WDEREUQCSA-N 2 0 239.363 0.844 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000430698389 387641082 /nfs/dbraw/zinc/64/10/82/387641082.db2.gz VAUFGXGTFJJSKZ-YPMHNXCESA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)(C[NH3+])C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430705297 387642286 /nfs/dbraw/zinc/64/22/86/387642286.db2.gz KQFIHSFHKLZBSM-SNVBAGLBSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430714301 387642610 /nfs/dbraw/zinc/64/26/10/387642610.db2.gz NFAVMTRHEUWBNL-NSHDSACASA-N 2 0 241.379 0.880 20 0 BCADRP C[C@H](CN[C@H]1CCC[C@H]1[NH3+])[N@H+](C)C1CC1 ZINC000422738355 387645100 /nfs/dbraw/zinc/64/51/00/387645100.db2.gz JOIBROQQBKTSFF-JLLWLGSASA-N 2 0 211.353 0.939 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000430741806 387646367 /nfs/dbraw/zinc/64/63/67/387646367.db2.gz FAWGICLFOIDAFB-VWYCJHECSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H]1C[C@@H](N(C)C(=O)C2([NH3+])CC2)CC[N@@H+]1C ZINC000430783610 387652555 /nfs/dbraw/zinc/65/25/55/387652555.db2.gz MZVHILXFVFFRAM-ZJUUUORDSA-N 2 0 225.336 0.419 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH3+])C[C@H]1C ZINC000430803583 387653514 /nfs/dbraw/zinc/65/35/14/387653514.db2.gz VMHHSFZWILSKJN-GHMZBOCLSA-N 2 0 227.352 0.666 20 0 BCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)CC[NH3+])C1 ZINC000430809264 387653574 /nfs/dbraw/zinc/65/35/74/387653574.db2.gz PGYSQJRHFQPRSE-LBPRGKRZSA-N 2 0 239.363 0.526 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000362770829 387657693 /nfs/dbraw/zinc/65/76/93/387657693.db2.gz VHGPEADBUHYNEG-WDEREUQCSA-N 2 0 227.352 0.252 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000430901309 387658087 /nfs/dbraw/zinc/65/80/87/387658087.db2.gz UEXFMSQOLDKMQG-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430889281 387658511 /nfs/dbraw/zinc/65/85/11/387658511.db2.gz KRAXNZAQDYHBOR-NWDGAFQWSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)CN1CCOCC1 ZINC000422756103 387659575 /nfs/dbraw/zinc/65/95/75/387659575.db2.gz GFMSKJIOVOVJLH-QWHCGFSZSA-N 2 0 243.395 0.672 20 0 BCADRP C[NH2+]C[C@H]1CCN([C@H](C(N)=O)c2ccccc2)C1 ZINC000430966864 387665297 /nfs/dbraw/zinc/66/52/97/387665297.db2.gz PTRNWFBZRXRBJD-YPMHNXCESA-N 2 0 247.342 0.754 20 0 BCADRP Cc1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)ccn1 ZINC000527664516 387666499 /nfs/dbraw/zinc/66/64/99/387666499.db2.gz JPKOHOFPOMCSGP-UHFFFAOYSA-N 2 0 249.358 0.936 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NCC[NH+]1CCCC1 ZINC000422763904 387666715 /nfs/dbraw/zinc/66/67/15/387666715.db2.gz OBAVCOZMGFOXAG-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])CN1CCOCC1 ZINC000422769078 387668223 /nfs/dbraw/zinc/66/82/23/387668223.db2.gz SQOXGHWFWHRXES-FRRDWIJNSA-N 2 0 243.395 0.670 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCC[NH3+] ZINC000431023871 387669895 /nfs/dbraw/zinc/66/98/95/387669895.db2.gz JIKYCUZHMPWJJC-KOLCDFICSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCC[NH3+] ZINC000431023868 387670028 /nfs/dbraw/zinc/67/00/28/387670028.db2.gz JIKYCUZHMPWJJC-GXSJLCMTSA-N 2 0 225.336 0.324 20 0 BCADRP CCC[C@H](C(=O)NC[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000422770421 387670165 /nfs/dbraw/zinc/67/01/65/387670165.db2.gz WPBPBZRWVQOUMI-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424139003 387674610 /nfs/dbraw/zinc/67/46/10/387674610.db2.gz DRTYCTNMYTYPDW-MMWGEVLESA-N 2 0 223.320 0.029 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000126462803 387683391 /nfs/dbraw/zinc/68/33/91/387683391.db2.gz CBUDERRNLUKJAS-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP C[NH+](C)CCCN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422743142 387689155 /nfs/dbraw/zinc/68/91/55/387689155.db2.gz HZRHXBWSIYJMEF-STQMWFEESA-N 2 0 241.379 0.295 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1NCCC[NH+](C)C ZINC000422742956 387689411 /nfs/dbraw/zinc/68/94/11/387689411.db2.gz HJQUWHPLFREFLI-VXGBXAGGSA-N 2 0 213.369 0.916 20 0 BCADRP C[C@H]([NH2+]CCCO[C@H]1CCOC1)[C@H]1CCC[NH2+]1 ZINC000422876575 387756288 /nfs/dbraw/zinc/75/62/88/387756288.db2.gz QLDNVIZGQOXDBM-RWMBFGLXSA-N 2 0 242.363 0.912 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]1C[NH3+])[C@@H](C)[NH3+] ZINC000422866601 387746920 /nfs/dbraw/zinc/74/69/20/387746920.db2.gz QXBUBXUIQMVVMO-KXNHARMFSA-N 2 0 241.379 0.849 20 0 BCADRP CCC[C@H](C(=O)N[C@H]1CCC[C@H]1C[NH3+])[NH+](C)C ZINC000422864482 387747247 /nfs/dbraw/zinc/74/72/47/387747247.db2.gz NEOVXFFAMMNSOR-SDDRHHMPSA-N 2 0 241.379 0.960 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000377756104 387747434 /nfs/dbraw/zinc/74/74/34/387747434.db2.gz OODUDYNOBKRNAZ-QJPTWQEYSA-N 2 0 237.347 0.054 20 0 BCADRP CC[N@H+](CCN[C@@H]1CCC[C@H]1[NH3+])C1CC1 ZINC000422875913 387752527 /nfs/dbraw/zinc/75/25/27/387752527.db2.gz DKYISKXJWZSAJT-VXGBXAGGSA-N 2 0 211.353 0.940 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C ZINC000356743766 387711644 /nfs/dbraw/zinc/71/16/44/387711644.db2.gz OGKYHNPWLKCBNA-JTQLQIEISA-N 2 0 215.341 0.393 20 0 BCADRP CC[C@@H](C(=O)NCC1([NH3+])CCCC1)[NH+](C)C ZINC000629614104 387713711 /nfs/dbraw/zinc/71/37/11/387713711.db2.gz YIOZXAFMIPKRES-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[C@@H](C)[NH3+] ZINC000422815412 387715026 /nfs/dbraw/zinc/71/50/26/387715026.db2.gz BMSARJWCPROCHC-WRWGMCAJSA-N 2 0 241.379 0.815 20 0 BCADRP CCC[C@H](C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[NH+](C)C ZINC000422820380 387717332 /nfs/dbraw/zinc/71/73/32/387717332.db2.gz QGTOLAODEUSQAR-IJLUTSLNSA-N 2 0 241.379 0.926 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000422824664 387720887 /nfs/dbraw/zinc/72/08/87/387720887.db2.gz HTFIGZROWWHKAB-GARJFASQSA-N 2 0 229.368 0.578 20 0 BCADRP C[NH+](C)[C@]1(CN[C@@H]2CCC[C@@H]2[NH3+])CCSC1 ZINC000422828084 387722327 /nfs/dbraw/zinc/72/23/27/387722327.db2.gz SSDFZLGQSLSLBZ-TUAOUCFPSA-N 2 0 243.420 0.893 20 0 BCADRP CCC[C@H](C(=O)NC[C@@H](C)C[NH2+]C)[NH+](C)C ZINC000422832754 387726385 /nfs/dbraw/zinc/72/63/85/387726385.db2.gz VNLROTGQJGVOEP-WDEREUQCSA-N 2 0 229.368 0.688 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC000422833616 387726970 /nfs/dbraw/zinc/72/69/70/387726970.db2.gz WHRWTDJJEVEOEX-GFCCVEGCSA-N 2 0 241.379 0.690 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000377569246 387730168 /nfs/dbraw/zinc/73/01/68/387730168.db2.gz VNHLPWCEGAGZJG-HNCHTBHHSA-N 2 0 237.347 0.324 20 0 BCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424142554 387731578 /nfs/dbraw/zinc/73/15/78/387731578.db2.gz IKKDHPMACPWESC-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP COCC[N@H+](C)CCCN[C@H]1CCC[C@H]1[NH3+] ZINC000422843745 387732001 /nfs/dbraw/zinc/73/20/01/387732001.db2.gz JIOVJFZMOJVXHC-NEPJUHHUSA-N 2 0 229.368 0.424 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367617559 387733263 /nfs/dbraw/zinc/73/32/63/387733263.db2.gz QPEUVYMFDYCPGN-UMSGYPCISA-N 2 0 242.363 0.456 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367617557 387733324 /nfs/dbraw/zinc/73/33/24/387733324.db2.gz QPEUVYMFDYCPGN-RVMXOQNASA-N 2 0 242.363 0.456 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C[NH+]1CCC(C)CC1 ZINC000422851688 387737179 /nfs/dbraw/zinc/73/71/79/387737179.db2.gz PLXTVSGLPYDPFV-LBPRGKRZSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424142706 387737385 /nfs/dbraw/zinc/73/73/85/387737385.db2.gz ITRASRYKDXAVGT-DBIOUOCHSA-N 2 0 225.336 0.323 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000377749618 387739827 /nfs/dbraw/zinc/73/98/27/387739827.db2.gz WNAIHSWHWKSMEN-VWYCJHECSA-N 2 0 225.336 0.182 20 0 BCADRP CCC[C@@H](C(=O)NC[C@@H]([NH3+])C(C)C)[NH+](C)C ZINC000422856566 387741635 /nfs/dbraw/zinc/74/16/35/387741635.db2.gz WYIQCVIBHHYEOR-MNOVXSKESA-N 2 0 229.368 0.816 20 0 BCADRP COCC[N@@H+]1CC[C@@H](N[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422892904 387762239 /nfs/dbraw/zinc/76/22/39/387762239.db2.gz ZSDWLCWJDGTOBS-JHJVBQTASA-N 2 0 241.379 0.437 20 0 BCADRP COCCN1CC[C@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422889760 387763541 /nfs/dbraw/zinc/76/35/41/387763541.db2.gz QNANXEQWYFAIFJ-OLZOCXBDSA-N 2 0 243.395 0.814 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C1(C)C[NH2+]C1 ZINC000422897851 387765535 /nfs/dbraw/zinc/76/55/35/387765535.db2.gz KIWKECPZOXMASS-SNVBAGLBSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000441610298 387771395 /nfs/dbraw/zinc/77/13/95/387771395.db2.gz LWNPPDPXGYPPOP-IJLUTSLNSA-N 2 0 241.379 0.723 20 0 BCADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H]1CCOC1 ZINC000129547685 387772914 /nfs/dbraw/zinc/77/29/14/387772914.db2.gz FVSASCBPFSWPOB-AVGNSLFASA-N 2 0 242.363 0.458 20 0 BCADRP C[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)C1C[NH2+]C1 ZINC000422922083 387777319 /nfs/dbraw/zinc/77/73/19/387777319.db2.gz RXHOCWPONVTDFF-MWLCHTKSSA-N 2 0 239.363 0.583 20 0 BCADRP CC(C)N1C[C@@H]([NH2+][C@H](C)C[C@H](C)[NH3+])CC1=O ZINC000422927213 387779838 /nfs/dbraw/zinc/77/98/38/387779838.db2.gz YKADLUQMUWJRPV-AXFHLTTASA-N 2 0 227.352 0.711 20 0 BCADRP CC(C)N1C[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])CC1=O ZINC000422927216 387780495 /nfs/dbraw/zinc/78/04/95/387780495.db2.gz YKADLUQMUWJRPV-HBNTYKKESA-N 2 0 227.352 0.711 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000527952689 387782839 /nfs/dbraw/zinc/78/28/39/387782839.db2.gz ISJJIZFMPZGUSE-YVECIDJPSA-N 2 0 242.363 0.456 20 0 BCADRP CC[C@@H]([NH2+]CCCC(=O)N(C)C)[C@@H]1CCC[NH2+]1 ZINC000422933661 387782998 /nfs/dbraw/zinc/78/29/98/387782998.db2.gz ICEYEEWKSIATCC-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@@H](O)[C@H]2CCCO2)CC1 ZINC000527949195 387783318 /nfs/dbraw/zinc/78/33/18/387783318.db2.gz FYQFUQMHKBUTOO-CHWSQXEVSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)[C@H]2CCCO2)CC[N@@H+]1C ZINC000527958143 387784424 /nfs/dbraw/zinc/78/44/24/387784424.db2.gz UZGDUKBZNPFVMZ-FVCCEPFGSA-N 2 0 242.363 0.599 20 0 BCADRP C[C@H]([NH3+])CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000442650284 387812783 /nfs/dbraw/zinc/81/27/83/387812783.db2.gz OTMBQGJAYBMPTQ-QWHCGFSZSA-N 2 0 241.379 0.378 20 0 BCADRP CC[C@@H]([NH2+]C[C@@H](C)CO)[C@@H]1CCC[NH2+]1 ZINC000422978563 387788757 /nfs/dbraw/zinc/78/87/57/387788757.db2.gz ZPNBSJVWEZLUGV-MXWKQRLJSA-N 2 0 200.326 0.735 20 0 BCADRP CC(C)COC[C@H](O)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422978408 387788874 /nfs/dbraw/zinc/78/88/74/387788874.db2.gz ZJQPCHWYWRBXPX-XQQFMLRXSA-N 2 0 244.379 0.737 20 0 BCADRP CC1CC[NH+](C[C@H](O)CN[C@H]2CC[NH2+]C2)CC1 ZINC000422979089 387789979 /nfs/dbraw/zinc/78/99/79/387789979.db2.gz LGADFJKVWUTDPO-QWHCGFSZSA-N 2 0 241.379 0.031 20 0 BCADRP CC(C)C(=O)N[C@H]1CCCN(C[C@@H](C)[NH3+])C1 ZINC000442660080 387812887 /nfs/dbraw/zinc/81/28/87/387812887.db2.gz LSWSUJVVFPKDNO-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193523568 387795562 /nfs/dbraw/zinc/79/55/62/387795562.db2.gz XFAXHGSYCJOJHR-KXUCPTDWSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000193566411 387795815 /nfs/dbraw/zinc/79/58/15/387795815.db2.gz ALTKNOAHQHZACR-GMTAPVOTSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000193639776 387798396 /nfs/dbraw/zinc/79/83/96/387798396.db2.gz BJPUDFPILMWWLQ-GXSJLCMTSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccoc1 ZINC000309503245 387809102 /nfs/dbraw/zinc/80/91/02/387809102.db2.gz BKWBMWSDKICXOB-ZYHUDNBSSA-N 2 0 224.304 0.997 20 0 BCADRP C[C@H]([NH2+]Cc1cncn1C)C(=O)NC(C)(C)C ZINC000134532165 387809938 /nfs/dbraw/zinc/80/99/38/387809938.db2.gz MUWOCKFMLXDBDN-VIFPVBQESA-N 2 0 238.335 0.813 20 0 BCADRP COCCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422882206 387758467 /nfs/dbraw/zinc/75/84/67/387758467.db2.gz ANSOPOXLIDFQHJ-FRRDWIJNSA-N 2 0 241.379 0.424 20 0 BCADRP CC(C)[C@H](C(=O)NCC(C)(C)[NH3+])[C@H](C)[NH3+] ZINC000422887138 387761050 /nfs/dbraw/zinc/76/10/50/387761050.db2.gz YLTPJLSEGQLNQD-IUCAKERBSA-N 2 0 215.341 0.459 20 0 BCADRP C[C@H]([NH3+])CN(CCC(N)=O)Cc1ccccc1 ZINC000442666496 387819928 /nfs/dbraw/zinc/81/99/28/387819928.db2.gz VCOGAQWOAUSVFS-NSHDSACASA-N 2 0 235.331 0.711 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC[NH2+]C(C)(C)C ZINC000564081400 387821181 /nfs/dbraw/zinc/82/11/81/387821181.db2.gz QHEFRBGFYDBPBA-JTQLQIEISA-N 2 0 229.368 0.879 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000528011673 387822702 /nfs/dbraw/zinc/82/27/02/387822702.db2.gz MSMLMFZCJXTTFN-CMPLNLGQSA-N 2 0 239.363 0.857 20 0 BCADRP CC[C@@H](CCO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422973717 387823935 /nfs/dbraw/zinc/82/39/35/387823935.db2.gz CKVZXLDUCRGGOK-GARJFASQSA-N 2 0 200.326 0.878 20 0 BCADRP COc1cccc(CC[NH2+]C2CC[NH2+]CC2)n1 ZINC000423005153 387825360 /nfs/dbraw/zinc/82/53/60/387825360.db2.gz LPVZNHHJAIAKHT-UHFFFAOYSA-N 2 0 235.331 0.974 20 0 BCADRP CCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424157523 387826581 /nfs/dbraw/zinc/82/65/81/387826581.db2.gz PSMURCCBONPQOV-NEPJUHHUSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000433157327 387873054 /nfs/dbraw/zinc/87/30/54/387873054.db2.gz FPLGBNRNFDGJOF-NWDGAFQWSA-N 2 0 241.379 0.674 20 0 BCADRP C[C@@H]1C[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C[N@@H+]1C1CC1 ZINC000643537566 387873164 /nfs/dbraw/zinc/87/31/64/387873164.db2.gz LTQMSUYWXIRTEM-NOOOWODRSA-N 2 0 241.354 0.901 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000424157580 387830998 /nfs/dbraw/zinc/83/09/98/387830998.db2.gz PZQIIDLSBULDOL-ZMLRMANQSA-N 2 0 237.347 0.467 20 0 BCADRP CNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000643479055 387835379 /nfs/dbraw/zinc/83/53/79/387835379.db2.gz YNOVORMYFJUSQL-AXFHLTTASA-N 2 0 229.368 0.863 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424159445 387838769 /nfs/dbraw/zinc/83/87/69/387838769.db2.gz SUYSWBDJPWBVCQ-AEJSXWLSSA-N 2 0 213.325 0.180 20 0 BCADRP [NH3+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424160537 387838826 /nfs/dbraw/zinc/83/88/26/387838826.db2.gz XBQSAVQSMYZQDO-NEPJUHHUSA-N 2 0 233.315 0.321 20 0 BCADRP C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423033440 387848612 /nfs/dbraw/zinc/84/86/12/387848612.db2.gz GRQNZEXYXHDOEF-AVGNSLFASA-N 2 0 241.379 0.173 20 0 BCADRP C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423033445 387849397 /nfs/dbraw/zinc/84/93/97/387849397.db2.gz GRQNZEXYXHDOEF-XQQFMLRXSA-N 2 0 241.379 0.173 20 0 BCADRP C[C@H]1CCNC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000423036453 387850972 /nfs/dbraw/zinc/85/09/72/387850972.db2.gz UASDBGHJVKSRGG-WDEREUQCSA-N 2 0 212.337 0.737 20 0 BCADRP CC(C)OCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193636546 387857608 /nfs/dbraw/zinc/85/76/08/387857608.db2.gz WPMUYKLKAUUSGL-TXEJJXNPSA-N 2 0 212.337 0.905 20 0 BCADRP C[N@H+]1C[C@H]2CN(CCOCC(F)F)C[C@H]2C1 ZINC000193653010 387858364 /nfs/dbraw/zinc/85/83/64/387858364.db2.gz BJASVCFWRLIMEK-AOOOYVTPSA-N 2 0 234.290 0.762 20 0 BCADRP COCCCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193623588 387859475 /nfs/dbraw/zinc/85/94/75/387859475.db2.gz GCLSGENXYSCLEA-TXEJJXNPSA-N 2 0 212.337 0.906 20 0 BCADRP CC(C)OC[C@H](O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193629307 387860483 /nfs/dbraw/zinc/86/04/83/387860483.db2.gz DNAIVNOCVWCRPN-FRRDWIJNSA-N 2 0 242.363 0.266 20 0 BCADRP CSC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193645611 387860745 /nfs/dbraw/zinc/86/07/45/387860745.db2.gz HUVKVWJSEBCEQQ-AXFHLTTASA-N 2 0 230.377 0.204 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322436326 387865832 /nfs/dbraw/zinc/86/58/32/387865832.db2.gz QIPGDYIYOCUKQE-OFLUOSHYSA-N 2 0 225.336 0.465 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000433123168 387867323 /nfs/dbraw/zinc/86/73/23/387867323.db2.gz UDFMVZDZOIXYEP-TUAOUCFPSA-N 2 0 241.379 0.803 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C[NH3+])C(C)C ZINC000433129210 387867386 /nfs/dbraw/zinc/86/73/86/387867386.db2.gz YSIOIFXTEDVBSK-WDEREUQCSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@H]1C[C@@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433128653 387867614 /nfs/dbraw/zinc/86/76/14/387867614.db2.gz BIPCQPGICMGBOV-JQWIXIFHSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000643536235 387867766 /nfs/dbraw/zinc/86/77/66/387867766.db2.gz OZYMGANMVXZUOY-GRYCIOLGSA-N 2 0 223.364 0.859 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537238 387874728 /nfs/dbraw/zinc/87/47/28/387874728.db2.gz BOHUJULCLFQLRP-MRBYEJRBSA-N 2 0 241.354 0.759 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000433121222 387867873 /nfs/dbraw/zinc/86/78/73/387867873.db2.gz QZERIGATVDWXOJ-SDDRHHMPSA-N 2 0 241.379 0.803 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000433121224 387867908 /nfs/dbraw/zinc/86/79/08/387867908.db2.gz QZERIGATVDWXOJ-WOPDTQHZSA-N 2 0 241.379 0.803 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000433136281 387869760 /nfs/dbraw/zinc/86/97/60/387869760.db2.gz XGVIPXJUTALDHZ-OUAUKWLOSA-N 2 0 227.352 0.426 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000433136282 387869946 /nfs/dbraw/zinc/86/99/46/387869946.db2.gz XGVIPXJUTALDHZ-VWYCJHECSA-N 2 0 227.352 0.426 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000433136280 387869963 /nfs/dbraw/zinc/86/99/63/387869963.db2.gz XGVIPXJUTALDHZ-MXWKQRLJSA-N 2 0 227.352 0.426 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN(C[C@@H](C)[NH3+])C1 ZINC000442665482 387817115 /nfs/dbraw/zinc/81/71/15/387817115.db2.gz MNQSNZJOJRYEBH-NEPJUHHUSA-N 2 0 213.369 0.997 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000424181171 387892549 /nfs/dbraw/zinc/89/25/49/387892549.db2.gz XDDYSRGBXASULS-XQQFMLRXSA-N 2 0 245.326 0.337 20 0 BCADRP CC(C)[C@H](CO)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423113617 387895636 /nfs/dbraw/zinc/89/56/36/387895636.db2.gz URDDIACRLQAHNO-AXFHLTTASA-N 2 0 200.326 0.720 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645775493 387897411 /nfs/dbraw/zinc/89/74/11/387897411.db2.gz YCMLEWHSBWOBCY-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538403 387876279 /nfs/dbraw/zinc/87/62/79/387876279.db2.gz JIXYQSHESIDSTG-RHYQMDGZSA-N 2 0 229.343 0.794 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645856743 387876804 /nfs/dbraw/zinc/87/68/04/387876804.db2.gz VIRODVOKKLPNGE-JTQLQIEISA-N 2 0 227.352 0.441 20 0 BCADRP CC(C)(C[NH3+])C(=O)NC[C@H]1CCNCC1(F)F ZINC000424175178 387879026 /nfs/dbraw/zinc/87/90/26/387879026.db2.gz NOHGGLSXOXLPBD-MRVPVSSYSA-N 2 0 249.305 0.332 20 0 BCADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000423082057 387879320 /nfs/dbraw/zinc/87/93/20/387879320.db2.gz CJDTXFNQDNRYHD-NOOOWODRSA-N 2 0 240.347 0.916 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN1CC=CCC1 ZINC000423094545 387884878 /nfs/dbraw/zinc/88/48/78/387884878.db2.gz KJDWDJUSJMLSPO-RYUDHWBXSA-N 2 0 211.353 0.964 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000645755656 387886549 /nfs/dbraw/zinc/88/65/49/387886549.db2.gz TUZLMOPVQILJGA-KOLCDFICSA-N 2 0 237.347 0.337 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000423100269 387887885 /nfs/dbraw/zinc/88/78/85/387887885.db2.gz UZHYGJWXIURFPS-RYUDHWBXSA-N 2 0 209.337 0.718 20 0 BCADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H](C)C1C[NH2+]C1 ZINC000423123102 387903509 /nfs/dbraw/zinc/90/35/09/387903509.db2.gz MATQISLUGOKDNN-GHMZBOCLSA-N 2 0 213.369 0.913 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)CCC[NH3+] ZINC000514671796 387919505 /nfs/dbraw/zinc/91/95/05/387919505.db2.gz FXCDCEQUZJCNBG-GUBZILKMSA-N 2 0 215.341 0.603 20 0 BCADRP CC[C@H](O)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423133977 387911510 /nfs/dbraw/zinc/91/15/10/387911510.db2.gz QYROEHKQPCDSNT-VWYCJHECSA-N 2 0 200.326 0.735 20 0 BCADRP C[C@@H]([NH2+]C[C@H](CO)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423134731 387912384 /nfs/dbraw/zinc/91/23/84/387912384.db2.gz FCBXHOUYAAVWBX-JLLWLGSASA-N 2 0 212.337 0.735 20 0 BCADRP C[C@@]1(CNC(=O)N[C@H]2CC[NH2+]C2)CCC[NH2+]C1 ZINC000418346773 387916678 /nfs/dbraw/zinc/91/66/78/387916678.db2.gz CTDPZLKURYEAOM-CMPLNLGQSA-N 2 0 240.351 0.037 20 0 BCADRP [NH3+]C[C@H](C(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000237797038 387929287 /nfs/dbraw/zinc/92/92/87/387929287.db2.gz ZJWZGOTVEDERED-ZDUSSCGKSA-N 2 0 247.342 0.679 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000237920498 387929390 /nfs/dbraw/zinc/92/93/90/387929390.db2.gz BKKKNYXCHIHRCB-LBPRGKRZSA-N 2 0 233.315 0.627 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C1CC[NH2+]CC1 ZINC000237970251 387929528 /nfs/dbraw/zinc/92/95/28/387929528.db2.gz SIFCTEJVKAJDIQ-NEPJUHHUSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C1CC[NH2+]CC1 ZINC000237998233 387930811 /nfs/dbraw/zinc/93/08/11/387930811.db2.gz SIFCTEJVKAJDIQ-VXGBXAGGSA-N 2 0 239.363 0.620 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424218380 387934229 /nfs/dbraw/zinc/93/42/29/387934229.db2.gz SUTNXYOYIZICAF-HBNTYKKESA-N 2 0 227.352 0.761 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)CC1CC[NH2+]CC1 ZINC000237215393 387924051 /nfs/dbraw/zinc/92/40/51/387924051.db2.gz RAKFEGPPGDQLGK-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000237231484 387924689 /nfs/dbraw/zinc/92/46/89/387924689.db2.gz XRKJRGDSOPNWSJ-CYBMUJFWSA-N 2 0 249.358 0.495 20 0 BCADRP C[NH2+]CCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430890910 387937150 /nfs/dbraw/zinc/93/71/50/387937150.db2.gz TXONFQZHWAOYOC-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP CCN1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1=O ZINC000423150190 387928267 /nfs/dbraw/zinc/92/82/67/387928267.db2.gz IIOINAYVLXUWIA-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423158308 387937989 /nfs/dbraw/zinc/93/79/89/387937989.db2.gz NXOHJXNYLMOKNG-WUHRBBMRSA-N 2 0 242.363 0.768 20 0 BCADRP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423158306 387938957 /nfs/dbraw/zinc/93/89/57/387938957.db2.gz NXOHJXNYLMOKNG-QNWHQSFQSA-N 2 0 242.363 0.768 20 0 BCADRP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423158307 387939199 /nfs/dbraw/zinc/93/91/99/387939199.db2.gz NXOHJXNYLMOKNG-UMSGYPCISA-N 2 0 242.363 0.768 20 0 BCADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H](C)C[NH3+])c1 ZINC000424234878 387941308 /nfs/dbraw/zinc/94/13/08/387941308.db2.gz HJZLMLBHPYAIHI-VIFPVBQESA-N 2 0 221.304 0.987 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000424232666 387941815 /nfs/dbraw/zinc/94/18/15/387941815.db2.gz DLOFZXUSPFQOCG-NNYUYHANSA-N 2 0 239.363 0.890 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCNc1cc[nH+]cc1 ZINC000645642547 387947108 /nfs/dbraw/zinc/94/71/08/387947108.db2.gz JDDYMDRDDUVMJF-NXEZZACHSA-N 2 0 236.319 0.015 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000645643186 387947423 /nfs/dbraw/zinc/94/74/23/387947423.db2.gz QQVKWUJXUNZADA-LLVKDONJSA-N 2 0 248.330 0.030 20 0 BCADRP [NH3+]C[C@H](CN1CC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000424275410 387947950 /nfs/dbraw/zinc/94/79/50/387947950.db2.gz XBWFPUVTLLRXPJ-YPMHNXCESA-N 2 0 237.322 0.901 20 0 BCADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)[C@@H]1C[C@H]1C ZINC000423176987 387962408 /nfs/dbraw/zinc/96/24/08/387962408.db2.gz DGPLWRIDQVCBOG-FRRDWIJNSA-N 2 0 225.380 0.916 20 0 BCADRP COC[C@H]([NH2+]CCCN1CC[NH2+]CC1)C1CC1 ZINC000423186731 387971001 /nfs/dbraw/zinc/97/10/01/387971001.db2.gz XATQZCAGCALIRD-ZDUSSCGKSA-N 2 0 241.379 0.296 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000423194366 387979670 /nfs/dbraw/zinc/97/96/70/387979670.db2.gz RIFYWLYSTIMCIR-SDDRHHMPSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@@H](N[C@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423196668 387981453 /nfs/dbraw/zinc/98/14/53/387981453.db2.gz VVMIDILZHOLHJZ-WOPDTQHZSA-N 2 0 211.353 0.859 20 0 BCADRP C[N@@H+]1CC[C@H](NCCC[NH3+])[C@@H]2CCC[C@H]21 ZINC000423189178 387973798 /nfs/dbraw/zinc/97/37/98/387973798.db2.gz MRTYEZGPNSJSJA-SDDRHHMPSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423192618 387977838 /nfs/dbraw/zinc/97/78/38/387977838.db2.gz PVKGBIJJVHFCRU-IJLUTSLNSA-N 2 0 211.353 0.716 20 0 BCADRP C[NH2+]CCCN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423201267 387987861 /nfs/dbraw/zinc/98/78/61/387987861.db2.gz OGSCVBBTMPMLRY-MNOVXSKESA-N 2 0 211.353 0.811 20 0 BCADRP FC1(F)CNCC[C@@H]1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000424364197 387989998 /nfs/dbraw/zinc/98/99/98/387989998.db2.gz DBFFKPOVKTZIID-WDEREUQCSA-N 2 0 247.333 0.820 20 0 BCADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccco1 ZINC000423205313 387991196 /nfs/dbraw/zinc/99/11/96/387991196.db2.gz PCDSXINENPILAT-NSHDSACASA-N 2 0 223.320 0.835 20 0 BCADRP COCC[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000423196948 387981982 /nfs/dbraw/zinc/98/19/82/387981982.db2.gz XAAPJVBOPYMSQY-NEPJUHHUSA-N 2 0 227.352 0.049 20 0 BCADRP C[C@H](N[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000423196663 387982573 /nfs/dbraw/zinc/98/25/73/387982573.db2.gz VVMIDILZHOLHJZ-QJPTWQEYSA-N 2 0 211.353 0.859 20 0 BCADRP C[NH2+]CCCN[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423200329 387986687 /nfs/dbraw/zinc/98/66/87/387986687.db2.gz LVEBNANFCIWRAK-PWSUYJOCSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])[C@H]1CCC[NH2+]1 ZINC000424373256 387996948 /nfs/dbraw/zinc/99/69/48/387996948.db2.gz JGUQTMLMNJLIOI-DDHJBXDOSA-N 2 0 211.353 0.986 20 0 BCADRP C[C@H](NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423215330 387997234 /nfs/dbraw/zinc/99/72/34/387997234.db2.gz QJWMBNUWWYDFLR-TUAOUCFPSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@H](NC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423215329 387997504 /nfs/dbraw/zinc/99/75/04/387997504.db2.gz QJWMBNUWWYDFLR-SRVKXCTJSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)[C@H]1CCC[NH2+]1 ZINC000424382316 388001955 /nfs/dbraw/zinc/00/19/55/388001955.db2.gz SADYGJSRXQFUQZ-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](NC[C@H]1CCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000423241695 388024621 /nfs/dbraw/zinc/02/46/21/388024621.db2.gz VFTRVJCMGOJYQE-QJPTWQEYSA-N 2 0 211.353 0.859 20 0 BCADRP CC[C@H](NC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423229353 388015335 /nfs/dbraw/zinc/01/53/35/388015335.db2.gz AYWPATMZDPNPCM-WOPDTQHZSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC[N@@H+]1C ZINC000446369196 388016735 /nfs/dbraw/zinc/01/67/35/388016735.db2.gz LMWJXAJYGOEMGQ-VPOLOUISSA-N 2 0 243.326 0.285 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000446400696 388016769 /nfs/dbraw/zinc/01/67/69/388016769.db2.gz NTZVMZSLBVTCPC-SRVKXCTJSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000446363886 388016897 /nfs/dbraw/zinc/01/68/97/388016897.db2.gz QRVWWBVCEYQBPX-TUAOUCFPSA-N 2 0 237.347 0.291 20 0 BCADRP C[NH2+]CC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000082256338 388019806 /nfs/dbraw/zinc/01/98/06/388019806.db2.gz JDKXVZJHAHBPJH-JTQLQIEISA-N 2 0 225.336 0.339 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000246234296 388023158 /nfs/dbraw/zinc/02/31/58/388023158.db2.gz FPKPZCBUZSLMKA-SDDRHHMPSA-N 2 0 239.363 0.620 20 0 BCADRP CCN1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000423251375 388033159 /nfs/dbraw/zinc/03/31/59/388033159.db2.gz RXUDNNPWQSJFCE-AVGNSLFASA-N 2 0 225.380 0.916 20 0 BCADRP CCN1C[C@H](C)[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000423251376 388034175 /nfs/dbraw/zinc/03/41/75/388034175.db2.gz RXUDNNPWQSJFCE-RWMBFGLXSA-N 2 0 225.380 0.916 20 0 BCADRP C[NH2+]C[C@H](C)CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423256204 388036435 /nfs/dbraw/zinc/03/64/35/388036435.db2.gz BMMSIJQCHRXKFI-WCFLWFBJSA-N 2 0 241.379 0.199 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000246279265 388027173 /nfs/dbraw/zinc/02/71/73/388027173.db2.gz MLEGKSPFFVTAAA-ZYHUDNBSSA-N 2 0 243.326 0.289 20 0 BCADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423248759 388031386 /nfs/dbraw/zinc/03/13/86/388031386.db2.gz NSOBSFVEBKUXGH-SDDRHHMPSA-N 3 0 211.353 0.716 20 0 BCADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423248763 388031982 /nfs/dbraw/zinc/03/19/82/388031982.db2.gz NSOBSFVEBKUXGH-WOPDTQHZSA-N 3 0 211.353 0.716 20 0 BCADRP C[NH2+]C[C@H](C)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423274571 388055444 /nfs/dbraw/zinc/05/54/44/388055444.db2.gz MBOQGGIPACBTMR-SRVKXCTJSA-N 2 0 213.369 0.962 20 0 BCADRP C[NH2+]C[C@@H](C)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423274568 388055711 /nfs/dbraw/zinc/05/57/11/388055711.db2.gz MBOQGGIPACBTMR-IJLUTSLNSA-N 2 0 213.369 0.962 20 0 BCADRP C[C@@H]1C[C@H](N[C@H](C[NH3+])C2CC2)C[N@@H+]1C1CC1 ZINC000423275604 388056329 /nfs/dbraw/zinc/05/63/29/388056329.db2.gz LWQQIEXHVVTCPH-SUZMYJTESA-N 2 0 223.364 0.939 20 0 BCADRP C[C@@H]1C[C@H](N[C@@H](C[NH3+])C2CC2)C[N@@H+]1C1CC1 ZINC000423275602 388056842 /nfs/dbraw/zinc/05/68/42/388056842.db2.gz LWQQIEXHVVTCPH-CDMKHQONSA-N 2 0 223.364 0.939 20 0 BCADRP CC[C@H](NC[C@H](C)C[NH2+]C)[C@@H]1CCC[NH2+]1 ZINC000423278760 388060619 /nfs/dbraw/zinc/06/06/19/388060619.db2.gz RLCMUBOLRJWQDL-WOPDTQHZSA-N 2 0 213.369 0.962 20 0 BCADRP CC[C@@H](NC[C@@H](C)C[NH2+]C)[C@@H]1CCC[NH2+]1 ZINC000423278758 388060837 /nfs/dbraw/zinc/06/08/37/388060837.db2.gz RLCMUBOLRJWQDL-TUAOUCFPSA-N 2 0 213.369 0.962 20 0 BCADRP [NH3+]C1(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000083834652 388063460 /nfs/dbraw/zinc/06/34/60/388063460.db2.gz ZGKSTHHLDMTOAM-UHFFFAOYSA-N 2 0 223.320 0.221 20 0 BCADRP [NH3+]CC(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000083913497 388066375 /nfs/dbraw/zinc/06/63/75/388066375.db2.gz FNEVASVIDSBCHB-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP [NH3+]CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000083907653 388066433 /nfs/dbraw/zinc/06/64/33/388066433.db2.gz GMSLLRXWMDDSDS-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H]([NH3+])C(C)C)C1 ZINC000423285267 388068208 /nfs/dbraw/zinc/06/82/08/388068208.db2.gz YZPUEHKUKQQGMF-QJPTWQEYSA-N 2 0 213.369 0.900 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C[NH3+])C2CC2)C1 ZINC000423284887 388068773 /nfs/dbraw/zinc/06/87/73/388068773.db2.gz XIVUBDKXMLUFGW-ZMLRMANQSA-N 2 0 211.353 0.654 20 0 BCADRP CCN1CCC([NH2+][C@H]2CCC(=O)N(C)C2)CC1 ZINC000084063512 388069369 /nfs/dbraw/zinc/06/93/69/388069369.db2.gz VZUBFQYORGKIOG-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000447434870 388071900 /nfs/dbraw/zinc/07/19/00/388071900.db2.gz KALCOSHIPFDKOY-GXFFZTMASA-N 2 0 235.331 0.572 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCC(C)(C)[NH3+] ZINC000423286469 388071938 /nfs/dbraw/zinc/07/19/38/388071938.db2.gz HOALSQHSCUDTSM-MWLCHTKSSA-N 2 0 211.353 0.796 20 0 BCADRP C[C@]([NH3+])(C(=O)NCC1([NH3+])CCC1)c1ccccc1 ZINC000447438101 388071992 /nfs/dbraw/zinc/07/19/92/388071992.db2.gz DHCDBCVWNRATQN-CYBMUJFWSA-N 2 0 247.342 0.858 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000447514879 388075905 /nfs/dbraw/zinc/07/59/05/388075905.db2.gz ILSLYOSNLJWUTC-SDDRHHMPSA-N 2 0 241.379 0.829 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CC1(C[NH3+])CC1 ZINC000423295044 388077734 /nfs/dbraw/zinc/07/77/34/388077734.db2.gz DHQPBTNNALNWEV-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447557029 388078351 /nfs/dbraw/zinc/07/83/51/388078351.db2.gz KJOAHHSXCUCDHI-JTQLQIEISA-N 2 0 239.363 0.714 20 0 BCADRP CCCC[C@H](C[NH3+])N[C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423298291 388079540 /nfs/dbraw/zinc/07/95/40/388079540.db2.gz NYGOWRZQEXUYJY-YNEHKIRRSA-N 2 0 243.395 0.861 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447914266 388102327 /nfs/dbraw/zinc/10/23/27/388102327.db2.gz OSFHEUMKXGXGKL-AGIUHOORSA-N 2 0 242.363 0.600 20 0 BCADRP COC[C@@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086723503 388107539 /nfs/dbraw/zinc/10/75/39/388107539.db2.gz RTBWXFWZRYMHRA-LLVKDONJSA-N 2 0 230.352 0.851 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000086932337 388110828 /nfs/dbraw/zinc/11/08/28/388110828.db2.gz DUCLRAKRNXEVCF-WDEREUQCSA-N 2 0 225.336 0.291 20 0 BCADRP [NH3+][C@H](CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])C1CC1 ZINC000449379166 388187590 /nfs/dbraw/zinc/18/75/90/388187590.db2.gz ZSIFTGRLHWIDGW-GRYCIOLGSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000646197818 388162915 /nfs/dbraw/zinc/16/29/15/388162915.db2.gz WEQHIKKYEXGSGU-LPEHRKFASA-N 2 0 228.340 0.163 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000449379249 388187772 /nfs/dbraw/zinc/18/77/72/388187772.db2.gz ZYKMFVOSRVILBX-PSASIEDQSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH3+])CNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000646205574 388164185 /nfs/dbraw/zinc/16/41/85/388164185.db2.gz KNBZIQRIGHWNGB-VIFPVBQESA-N 2 0 236.319 0.292 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)CCC[NH3+] ZINC000646012833 388124356 /nfs/dbraw/zinc/12/43/56/388124356.db2.gz ZLHKDESBQDQCDE-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)CC[NH2+]C ZINC000646012378 388124400 /nfs/dbraw/zinc/12/44/00/388124400.db2.gz NTEOCRAFABXHHN-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000646012647 388124420 /nfs/dbraw/zinc/12/44/20/388124420.db2.gz UWUZFCYNASVJDT-GRYCIOLGSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)CC[NH2+]C ZINC000646012379 388124425 /nfs/dbraw/zinc/12/44/25/388124425.db2.gz NTEOCRAFABXHHN-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000449061896 388137180 /nfs/dbraw/zinc/13/71/80/388137180.db2.gz WWRMWHNWVBKZQS-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCC1([NH3+])CCCCC1 ZINC000449061712 388137236 /nfs/dbraw/zinc/13/72/36/388137236.db2.gz JMGWJWVOAGAXPF-SNVBAGLBSA-N 2 0 239.363 0.905 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCC1([NH3+])CCCCC1 ZINC000449061711 388137721 /nfs/dbraw/zinc/13/77/21/388137721.db2.gz JMGWJWVOAGAXPF-JTQLQIEISA-N 2 0 239.363 0.905 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000449064204 388138229 /nfs/dbraw/zinc/13/82/29/388138229.db2.gz SZBGHYBTKFPNSM-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000449065094 388138321 /nfs/dbraw/zinc/13/83/21/388138321.db2.gz XPDGFRDXZROKAQ-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000449074488 388139750 /nfs/dbraw/zinc/13/97/50/388139750.db2.gz PFSSOZCXHARAFT-ZJUUUORDSA-N 2 0 213.325 0.243 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000449074485 388139909 /nfs/dbraw/zinc/13/99/09/388139909.db2.gz PFSSOZCXHARAFT-UWVGGRQHSA-N 2 0 213.325 0.243 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000449085088 388140476 /nfs/dbraw/zinc/14/04/76/388140476.db2.gz KENNZTNJVBQFLQ-KOLCDFICSA-N 2 0 225.336 0.467 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000449085864 388140538 /nfs/dbraw/zinc/14/05/38/388140538.db2.gz PJVNWEXHEGLRFD-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC[N@H+](C)C1CC1 ZINC000449102828 388142826 /nfs/dbraw/zinc/14/28/26/388142826.db2.gz LUZHRFXVVBLWKK-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000449116499 388144505 /nfs/dbraw/zinc/14/45/05/388144505.db2.gz PVXREZDIQWTMFO-MFKMUULPSA-N 2 0 249.358 0.967 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H](C)[NH2+]C1CC1)C(C)C ZINC000449112409 388144821 /nfs/dbraw/zinc/14/48/21/388144821.db2.gz CENFHDTYMZUVOB-NSHDSACASA-N 2 0 241.379 0.973 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000449118255 388145265 /nfs/dbraw/zinc/14/52/65/388145265.db2.gz XFCWUTHSMXJDTJ-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449119334 388145387 /nfs/dbraw/zinc/14/53/87/388145387.db2.gz YDJRYGGQAAAVLX-MWLCHTKSSA-N 2 0 227.352 0.617 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449126107 388146432 /nfs/dbraw/zinc/14/64/32/388146432.db2.gz UMUIHDKMUGEEJK-NQBHXWOUSA-N 2 0 241.379 0.722 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000449131934 388147237 /nfs/dbraw/zinc/14/72/37/388147237.db2.gz QLCSRBKVIOZBOR-VIFPVBQESA-N 2 0 227.352 0.761 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449144280 388148060 /nfs/dbraw/zinc/14/80/60/388148060.db2.gz SKPDWHHWYUVHMB-MWLCHTKSSA-N 2 0 227.352 0.761 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000449148949 388148857 /nfs/dbraw/zinc/14/88/57/388148857.db2.gz VNTCYRQOYNQLHC-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC1([NH3+])CCC1 ZINC000449176354 388153275 /nfs/dbraw/zinc/15/32/75/388153275.db2.gz MRBHETJETMTIMU-VIFPVBQESA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000449179716 388154245 /nfs/dbraw/zinc/15/42/45/388154245.db2.gz WOGZAPKQANRIEJ-KXUCPTDWSA-N 2 0 225.336 0.336 20 0 BCADRP CC[C@](C)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)OC ZINC000322988517 388258262 /nfs/dbraw/zinc/25/82/62/388258262.db2.gz CGJIVWQLTNACBF-CHWSQXEVSA-N 2 0 244.379 0.848 20 0 BCADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCC(C)(C)CO ZINC000449409258 388189614 /nfs/dbraw/zinc/18/96/14/388189614.db2.gz SFDHBEUQVOYUFE-WDEREUQCSA-N 2 0 214.353 0.935 20 0 BCADRP CCOC[C@@H](C)[NH2+]C[C@@H]1CCCN1CCCO ZINC000449387894 388190497 /nfs/dbraw/zinc/19/04/97/388190497.db2.gz NKDBSGFAYSBFLU-OLZOCXBDSA-N 2 0 244.379 0.848 20 0 BCADRP C[C@H]1CN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000449484763 388216047 /nfs/dbraw/zinc/21/60/47/388216047.db2.gz NMQTXXKOVSISCG-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000449491047 388217801 /nfs/dbraw/zinc/21/78/01/388217801.db2.gz DYMKZQQPCGPHLT-HBNTYKKESA-N 2 0 227.352 0.631 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000449497743 388218529 /nfs/dbraw/zinc/21/85/29/388218529.db2.gz RMSAHQLZMDDTLI-GMTAPVOTSA-N 2 0 227.352 0.583 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000517932834 256554727 /nfs/dbraw/zinc/55/47/27/256554727.db2.gz YRYXKEWBZGPSST-SDDRHHMPSA-N 2 0 239.363 0.490 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000517932971 256554934 /nfs/dbraw/zinc/55/49/34/256554934.db2.gz ZNYSJAGGTHDYAX-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000449536128 388225976 /nfs/dbraw/zinc/22/59/76/388225976.db2.gz PBEDATNPBSPIBR-HBNTYKKESA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C(C)(C)C[NH3+])CC[NH2+]1 ZINC000646327504 388227679 /nfs/dbraw/zinc/22/76/79/388227679.db2.gz CLCMAZMUTTWZQW-SNVBAGLBSA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC[NH2+]1 ZINC000646327538 388228375 /nfs/dbraw/zinc/22/83/75/388228375.db2.gz FEGMWYSUOPMYAW-MNOVXSKESA-N 2 0 239.363 0.441 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000449545896 388228940 /nfs/dbraw/zinc/22/89/40/388228940.db2.gz UQQQDWMZIZDXKC-LZQZFOIKSA-N 2 0 239.363 0.345 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000449546095 388229161 /nfs/dbraw/zinc/22/91/61/388229161.db2.gz UQQQDWMZIZDXKC-RMPHRYRLSA-N 2 0 239.363 0.345 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449557515 388231827 /nfs/dbraw/zinc/23/18/27/388231827.db2.gz UUQZLIDCNMOISJ-ZRUFSTJUSA-N 2 0 239.363 0.345 20 0 BCADRP CC(C)[C@H]1CN(C(=O)CC2(C[NH3+])CC2)CC[NH2+]1 ZINC000646329681 388235519 /nfs/dbraw/zinc/23/55/19/388235519.db2.gz SURJFXQREQPOLW-LLVKDONJSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449582802 388238496 /nfs/dbraw/zinc/23/84/96/388238496.db2.gz ARMDPJZCVRIYIO-JBDRJPRFSA-N 2 0 201.314 0.212 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000449590647 388239005 /nfs/dbraw/zinc/23/90/05/388239005.db2.gz LLWSIJAEYKDTMH-KWBADKCTSA-N 2 0 247.342 0.553 20 0 BCADRP CC[C@]1(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CCC[NH2+]1 ZINC000449601704 388239915 /nfs/dbraw/zinc/23/99/15/388239915.db2.gz NRDCKPYNASRNLB-WCABBAIRSA-N 2 0 213.325 0.371 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449599346 388240263 /nfs/dbraw/zinc/24/02/63/388240263.db2.gz GJDFLTWLFAIZTA-HLTSFMKQSA-N 2 0 201.314 0.356 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)F ZINC000449608736 388241174 /nfs/dbraw/zinc/24/11/74/388241174.db2.gz JTVDGLCODNAFMX-XLPZGREQSA-N 2 0 237.294 0.459 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])CC ZINC000449608491 388241443 /nfs/dbraw/zinc/24/14/43/388241443.db2.gz IBYGKBPGVGWQJF-BDAKNGLRSA-N 2 0 201.314 0.357 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]([NH3+])CC ZINC000449608778 388241524 /nfs/dbraw/zinc/24/15/24/388241524.db2.gz JZWRCISVLAJLCH-RKDXNWHRSA-N 2 0 201.314 0.228 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])CC ZINC000449608493 388241563 /nfs/dbraw/zinc/24/15/63/388241563.db2.gz IBYGKBPGVGWQJF-IUCAKERBSA-N 2 0 201.314 0.357 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000449608915 388242054 /nfs/dbraw/zinc/24/20/54/388242054.db2.gz LJAVFVBJGHHGSM-ZJUUUORDSA-N 2 0 215.341 0.426 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000449611768 388243225 /nfs/dbraw/zinc/24/32/25/388243225.db2.gz YHNNEPOFKVPBLK-GMXVVIOVSA-N 2 0 239.363 0.620 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)F ZINC000449622302 388244083 /nfs/dbraw/zinc/24/40/83/388244083.db2.gz JTVDGLCODNAFMX-PRJMDXOYSA-N 2 0 237.294 0.459 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449635622 388246965 /nfs/dbraw/zinc/24/69/65/388246965.db2.gz UXAWOVDHBBJAMY-GARJFASQSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449643507 388247676 /nfs/dbraw/zinc/24/76/76/388247676.db2.gz IDXWYWRFHIYTIJ-SRVKXCTJSA-N 2 0 241.379 0.851 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H]1CCOC1)C2 ZINC000629585643 388283098 /nfs/dbraw/zinc/28/30/98/388283098.db2.gz ZVABNHPZNXJVQT-UPJWGTAASA-N 2 0 224.348 0.954 20 0 BCADRP C[NH+](C)C/C=C\C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000491636822 388307355 /nfs/dbraw/zinc/30/73/55/388307355.db2.gz HWEIWKYPJBKFAG-VFFGBVLKSA-N 2 0 239.363 0.657 20 0 BCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)/C=C\C[NH+](C)C ZINC000491845204 388324510 /nfs/dbraw/zinc/32/45/10/388324510.db2.gz JSPNEYNCADRAJC-FJOGCWAESA-N 2 0 239.363 0.657 20 0 BCADRP CN(C(=O)/C=C\C[NH+](C)C)[C@H]1CCC[N@H+](C)C1 ZINC000491901823 388326946 /nfs/dbraw/zinc/32/69/46/388326946.db2.gz CHUZCESSFKZCQX-VFFGBVLKSA-N 2 0 239.363 0.657 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)/C=C\C[NH+](C)C)C1 ZINC000491913631 388327601 /nfs/dbraw/zinc/32/76/01/388327601.db2.gz LSIKQQIYEQHZTB-RXNFCKPNSA-N 2 0 239.363 0.562 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646336006 388261751 /nfs/dbraw/zinc/26/17/51/388261751.db2.gz FMCHKZOETMXOMY-OUAUKWLOSA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336162 388261917 /nfs/dbraw/zinc/26/19/17/388261917.db2.gz JRPFSXAEDDPSHL-RYUDHWBXSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[C@H]([NH3+])CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646336300 388262604 /nfs/dbraw/zinc/26/26/04/388262604.db2.gz NANMKTCVGVIIQV-UTUOFQBUSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH+](C)C/C=C/C(=O)N1CC[N@H+](C)CC1(C)C ZINC000492282741 388340342 /nfs/dbraw/zinc/34/03/42/388340342.db2.gz HYXPOBHTEARMFL-VOTSOKGWSA-N 2 0 239.363 0.657 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)/C=C/C[NH+](C)C ZINC000492327227 388341656 /nfs/dbraw/zinc/34/16/56/388341656.db2.gz YXDVIESXZVOCSV-SOFGYWHQSA-N 2 0 227.352 0.514 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000646367980 388346715 /nfs/dbraw/zinc/34/67/15/388346715.db2.gz JMGJSWBZXWZMHB-NEPJUHHUSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000646372202 388346987 /nfs/dbraw/zinc/34/69/87/388346987.db2.gz OMAAKHVUTSQEQY-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646384127 388347728 /nfs/dbraw/zinc/34/77/28/388347728.db2.gz FENGWBSHWDMBFS-NEPJUHHUSA-N 2 0 239.363 0.573 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646384128 388347779 /nfs/dbraw/zinc/34/77/79/388347779.db2.gz FENGWBSHWDMBFS-NWDGAFQWSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000572618680 388362191 /nfs/dbraw/zinc/36/21/91/388362191.db2.gz APJQYTDMTIKSEQ-OUAUKWLOSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)C[C@H]1CCC[NH2+]1 ZINC000572641218 388362413 /nfs/dbraw/zinc/36/24/13/388362413.db2.gz XKUHDHPVQDUDCJ-VHSXEESVSA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000300387916 388364823 /nfs/dbraw/zinc/36/48/23/388364823.db2.gz PXZUCGYICIDGIM-GRYCIOLGSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)c1coc(C[NH3+])c1 ZINC000646657674 388405336 /nfs/dbraw/zinc/40/53/36/388405336.db2.gz LXKWKARQBIYCTG-MRVPVSSYSA-N 2 0 223.276 0.172 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCn2ccnn2)C1 ZINC000163753793 388367872 /nfs/dbraw/zinc/36/78/72/388367872.db2.gz RWBLPQSBCDCLIJ-GHMZBOCLSA-N 2 0 223.324 0.528 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000572760816 388374066 /nfs/dbraw/zinc/37/40/66/388374066.db2.gz CUTIOVWVTWRASV-BBBLOLIVSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000572764597 388374134 /nfs/dbraw/zinc/37/41/34/388374134.db2.gz CFOITGZQOHHSCP-FOGDFJRCSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000646533885 388377207 /nfs/dbraw/zinc/37/72/07/388377207.db2.gz NRFUPPHSMYLLOS-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000646533892 388377407 /nfs/dbraw/zinc/37/74/07/388377407.db2.gz OZYWQBKVGGAZEZ-JQWIXIFHSA-N 2 0 239.363 0.524 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000646533660 388377630 /nfs/dbraw/zinc/37/76/30/388377630.db2.gz BXHAJPZPIAGYBV-JTQLQIEISA-N 2 0 227.352 0.524 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000646533966 388377638 /nfs/dbraw/zinc/37/76/38/388377638.db2.gz ZDNLMZPNUYLUET-WDEREUQCSA-N 2 0 239.363 0.395 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCOCC(F)F ZINC000236212940 388378509 /nfs/dbraw/zinc/37/85/09/388378509.db2.gz VPVUMRCDPGSVQE-BDAKNGLRSA-N 2 0 222.279 0.985 20 0 BCADRP C[NH+](C)CCN(C(=O)CC(C)(C)[NH3+])C1CC1 ZINC000646542569 388379330 /nfs/dbraw/zinc/37/93/30/388379330.db2.gz HTZZEAZWNXLLLH-UHFFFAOYSA-N 2 0 227.352 0.666 20 0 BCADRP [NH3+]CC[C@@H](NCC1CC[NH2+]CC1)C(F)F ZINC000519708717 256657117 /nfs/dbraw/zinc/65/71/17/256657117.db2.gz NKVHHIDRWSCFDD-SECBINFHSA-N 2 0 221.295 0.558 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000519712146 256657180 /nfs/dbraw/zinc/65/71/80/256657180.db2.gz LJARQLKHFWYJFQ-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000236661844 388381738 /nfs/dbraw/zinc/38/17/38/388381738.db2.gz BDZSRUFFYQERJY-SECBINFHSA-N 2 0 213.325 0.243 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)CC[NH3+] ZINC000236711472 388382845 /nfs/dbraw/zinc/38/28/45/388382845.db2.gz NENYVSJZRABJTN-UHFFFAOYSA-N 2 0 201.314 0.183 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH2+]C ZINC000236802932 388383217 /nfs/dbraw/zinc/38/32/17/388383217.db2.gz WKNPBLWPMSTMNS-UWVGGRQHSA-N 2 0 215.341 0.476 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000236809940 388383878 /nfs/dbraw/zinc/38/38/78/388383878.db2.gz MGGUKHOLZFJOMF-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000646577995 388387557 /nfs/dbraw/zinc/38/75/57/388387557.db2.gz AXNBKPWTOJCYDA-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2C[NH2+]CCO2)c1 ZINC000646578817 388388752 /nfs/dbraw/zinc/38/87/52/388388752.db2.gz GNKWOPXWNADSGY-NSHDSACASA-N 2 0 235.287 0.072 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000646584641 388390670 /nfs/dbraw/zinc/39/06/70/388390670.db2.gz RJMSENFCVNXAOL-SNVBAGLBSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)[C@H](C)[NH3+] ZINC000520228406 256666146 /nfs/dbraw/zinc/66/61/46/256666146.db2.gz JTOPDQWOQYBGMN-CSMHCCOUSA-N 2 0 235.278 0.083 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C(C)(C)C[NH3+])C1CC1 ZINC000237187352 388390800 /nfs/dbraw/zinc/39/08/00/388390800.db2.gz NPRBKVSNEGEKOF-SNVBAGLBSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000237230222 388392007 /nfs/dbraw/zinc/39/20/07/388392007.db2.gz VJWREKLGQPOVKD-GFCCVEGCSA-N 2 0 249.358 0.843 20 0 BCADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@H](C)[NH3+] ZINC000646600429 388393636 /nfs/dbraw/zinc/39/36/36/388393636.db2.gz LYIOQPQVCBJRQQ-WCBMZHEXSA-N 2 0 237.303 0.158 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)[NH+](C)C)C[NH+](C)C ZINC000646605351 388394466 /nfs/dbraw/zinc/39/44/66/388394466.db2.gz UWTROFQRUQGGIS-ZJUUUORDSA-N 2 0 215.341 0.250 20 0 BCADRP C[C@H]1CCCN(C(=O)CCC[NH3+])[C@H]1C[NH3+] ZINC000237573077 388396960 /nfs/dbraw/zinc/39/69/60/388396960.db2.gz JGXOYDOZQGBHEN-UWVGGRQHSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000237633657 388397669 /nfs/dbraw/zinc/39/76/69/388397669.db2.gz REINBCWLUOPYPZ-SECBINFHSA-N 2 0 221.304 0.565 20 0 BCADRP C[NH+](C)C1(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)CCCC1 ZINC000520412277 256672556 /nfs/dbraw/zinc/67/25/56/256672556.db2.gz RKNHISLJTUENRI-PHIMTYICSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC000520404727 256672563 /nfs/dbraw/zinc/67/25/63/256672563.db2.gz NNPPQJGPNSGXFR-LLVKDONJSA-N 2 0 225.336 0.326 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000646649449 388401782 /nfs/dbraw/zinc/40/17/82/388401782.db2.gz GCBUKYMCMOQTFM-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000646649448 388401803 /nfs/dbraw/zinc/40/18/03/388401803.db2.gz GCBUKYMCMOQTFM-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC1CC[NH2+]CC1 ZINC000514601583 256680875 /nfs/dbraw/zinc/68/08/75/256680875.db2.gz VDENFASNCJYJQA-VHSXEESVSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000514603958 256681640 /nfs/dbraw/zinc/68/16/40/256681640.db2.gz BNMUUJXJSZGGMD-JBLDHEPKSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C[NH+](C)C ZINC000261531382 135160186 /nfs/dbraw/zinc/16/01/86/135160186.db2.gz GHPAFSGKIBGNRX-KKZNHRDASA-N 2 0 213.325 0.051 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000646732572 388440710 /nfs/dbraw/zinc/44/07/10/388440710.db2.gz STBFLVOKHJRBEK-JTQLQIEISA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[C@H](C)[NH3+] ZINC000515058897 256732249 /nfs/dbraw/zinc/73/22/49/256732249.db2.gz HEUIBHUNQRZUAS-YFKTTZPYSA-N 2 0 241.379 0.720 20 0 BCADRP CCOC(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397291225 388457195 /nfs/dbraw/zinc/45/71/95/388457195.db2.gz AGBMXYZGWDUJIP-DCAQKATOSA-N 2 0 228.336 0.855 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000261536878 135173477 /nfs/dbraw/zinc/17/34/77/135173477.db2.gz UBTRAPXZOWBJSU-JGVFFNPUSA-N 2 0 201.314 0.213 20 0 BCADRP C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000405306333 388459070 /nfs/dbraw/zinc/45/90/70/388459070.db2.gz QOFRJRNATHAOOX-QJPTWQEYSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)NCC[NH+]1CCCCC1 ZINC000336715412 388467962 /nfs/dbraw/zinc/46/79/62/388467962.db2.gz PPHSQZHNGZFCRQ-VIFPVBQESA-N 2 0 249.305 0.571 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(C[NH3+])o1 ZINC000646753521 388474589 /nfs/dbraw/zinc/47/45/89/388474589.db2.gz CYLLJXOBOVNTHQ-VIFPVBQESA-N 2 0 239.319 0.842 20 0 BCADRP [NH3+]CCC1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000516080995 256763509 /nfs/dbraw/zinc/76/35/09/256763509.db2.gz PNPCEVPHFUVBQU-NSHDSACASA-N 2 0 225.336 0.326 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000646672700 388411745 /nfs/dbraw/zinc/41/17/45/388411745.db2.gz CTIYHUHISIGPKH-SECBINFHSA-N 2 0 237.303 0.562 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000646671869 388411841 /nfs/dbraw/zinc/41/18/41/388411841.db2.gz DGPOIOMIJMOYJF-AXFHLTTASA-N 2 0 225.336 0.311 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000646671872 388411862 /nfs/dbraw/zinc/41/18/62/388411862.db2.gz DGPOIOMIJMOYJF-HBNTYKKESA-N 2 0 225.336 0.311 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000646682491 388415079 /nfs/dbraw/zinc/41/50/79/388415079.db2.gz ZXGICALNLODVQD-ZDUSSCGKSA-N 2 0 247.342 0.599 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000646688191 388417142 /nfs/dbraw/zinc/41/71/42/388417142.db2.gz YTROQOKXTQYBCP-ONGXEEELSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000646713445 388426642 /nfs/dbraw/zinc/42/66/42/388426642.db2.gz LQNZOOKCBNHBAS-VHSXEESVSA-N 2 0 225.336 0.195 20 0 BCADRP [NH3+]C[C@@H]1CN(C[C@@H]2CCSC2)CCO1 ZINC000224623261 388427627 /nfs/dbraw/zinc/42/76/27/388427627.db2.gz XIKJDQCBXOSBGM-VHSXEESVSA-N 2 0 216.350 0.399 20 0 BCADRP C[NH2+]CC1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000646718077 388430426 /nfs/dbraw/zinc/43/04/26/388430426.db2.gz CKHSFBLSGBYAHL-UHFFFAOYSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000646718180 388430675 /nfs/dbraw/zinc/43/06/75/388430675.db2.gz HFJZDGBFBVSIBM-VHSXEESVSA-N 2 0 227.352 0.428 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[N@H+](CC3CCC3)CCN2C1=O ZINC000573220608 388433485 /nfs/dbraw/zinc/43/34/85/388433485.db2.gz HACRXBOHSUZUSF-QWRGUYRKSA-N 2 0 223.320 0.030 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000573244967 388435086 /nfs/dbraw/zinc/43/50/86/388435086.db2.gz ARYGVWRYDLLVTK-JMJZKYOTSA-N 2 0 225.336 0.323 20 0 BCADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000517148073 388539642 /nfs/dbraw/zinc/53/96/42/388539642.db2.gz AMBQWVJFBPKSCQ-SGMGOOAPSA-N 2 0 249.358 0.339 20 0 BCADRP Cn1cncc1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000548460143 388540599 /nfs/dbraw/zinc/54/05/99/388540599.db2.gz YTCNUMCOAQLYLB-SNVBAGLBSA-N 2 0 236.319 0.031 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000516462575 256777677 /nfs/dbraw/zinc/77/76/77/256777677.db2.gz BOKTYZPQWJHNBP-QWRGUYRKSA-N 2 0 227.352 0.252 20 0 BCADRP C[C@@]1(C(=O)NC[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000517230375 388543290 /nfs/dbraw/zinc/54/32/90/388543290.db2.gz NCGPRSACRQKXIP-JQWIXIFHSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000517368764 388547659 /nfs/dbraw/zinc/54/76/59/388547659.db2.gz RZJJQCGCDOYTBH-LBPRGKRZSA-N 2 0 233.315 0.579 20 0 BCADRP CC1(C)CC[C@@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000517356241 388547769 /nfs/dbraw/zinc/54/77/69/388547769.db2.gz RLIAHHMNPAOIRT-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000649271606 388482318 /nfs/dbraw/zinc/48/23/18/388482318.db2.gz OHOFMYFJRRFASV-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000649272140 388483453 /nfs/dbraw/zinc/48/34/53/388483453.db2.gz KSGHVEYCBVAQTF-UWVGGRQHSA-N 2 0 213.325 0.004 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000646762943 388486880 /nfs/dbraw/zinc/48/68/80/388486880.db2.gz IYJGAHZGWQELQE-YTWAJWBKSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)CC[C@@H]1[NH3+] ZINC000646762919 388486937 /nfs/dbraw/zinc/48/69/37/388486937.db2.gz DSBMWTKFGSZUGQ-KXUCPTDWSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C[C@H]1CCC[C@H]1[NH3+] ZINC000340122791 388487455 /nfs/dbraw/zinc/48/74/55/388487455.db2.gz MTBYQMXTIJUYSW-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+](C)CCCNC(=O)C[C@@H]1CCC[C@@H]1[NH3+] ZINC000340112917 388487828 /nfs/dbraw/zinc/48/78/28/388487828.db2.gz VOPHNBHIAJFYFB-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000646769962 388493173 /nfs/dbraw/zinc/49/31/73/388493173.db2.gz NPZXQJNSESOAOR-VWYCJHECSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)c1ccc(C[NH3+])o1 ZINC000646777265 388498381 /nfs/dbraw/zinc/49/83/81/388498381.db2.gz OICNHCXFOQWFIP-SECBINFHSA-N 2 0 225.292 0.451 20 0 BCADRP [NH3+]CCCCC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000646778601 388499339 /nfs/dbraw/zinc/49/93/39/388499339.db2.gz BDQJUERSTDLVIS-GHMZBOCLSA-N 2 0 227.352 0.749 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH3+] ZINC000646783278 388501365 /nfs/dbraw/zinc/50/13/65/388501365.db2.gz ZPBOAJVVJGAVMK-LLVKDONJSA-N 2 0 227.352 0.668 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@@H](C[NH3+])C2CC2)o1 ZINC000646784937 388502473 /nfs/dbraw/zinc/50/24/73/388502473.db2.gz VMXZBKKWMQWYSP-VIFPVBQESA-N 2 0 223.276 0.205 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1CC[NH2+]CC1 ZINC000517374826 388549172 /nfs/dbraw/zinc/54/91/72/388549172.db2.gz AWOOKURPTSYCNS-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000517390411 388549276 /nfs/dbraw/zinc/54/92/76/388549276.db2.gz HJPDZBAEERUROQ-IUCAKERBSA-N 2 0 201.314 0.084 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]CC2=CCCOC2)CC1 ZINC000344550639 388507780 /nfs/dbraw/zinc/50/77/80/388507780.db2.gz KLDSOPLOOIIXKV-UHFFFAOYSA-N 2 0 240.347 0.379 20 0 BCADRP CO[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@H](CN)C1 ZINC000516867504 256804739 /nfs/dbraw/zinc/80/47/39/256804739.db2.gz ZZDWMSVKYNLPGV-QWHCGFSZSA-N 2 0 241.379 0.424 20 0 BCADRP CC[N@H+](CC(=O)NCC[NH2+]C(C)(C)C)C1CC1 ZINC000136033820 388519953 /nfs/dbraw/zinc/51/99/53/388519953.db2.gz OFLRGPDMMPHLBO-UHFFFAOYSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000346608340 388520328 /nfs/dbraw/zinc/52/03/28/388520328.db2.gz PKCKBXKGXMWLQS-VXGBXAGGSA-N 2 0 242.363 0.600 20 0 BCADRP [NH3+]Cc1ccc(CN[C@@H]2CCC[NH2+]C2)cc1 ZINC000516926944 388524806 /nfs/dbraw/zinc/52/48/06/388524806.db2.gz PRLAZMOPPPNGJH-CYBMUJFWSA-N 2 0 219.332 0.987 20 0 BCADRP O=C(NCC[NH+]1CCCCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649281979 388525093 /nfs/dbraw/zinc/52/50/93/388525093.db2.gz ADEDBUOQMCXOHN-GDNZZTSVSA-N 2 0 237.347 0.054 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000517028040 388533520 /nfs/dbraw/zinc/53/35/20/388533520.db2.gz FQRBATIXSNNULK-GHMZBOCLSA-N 2 0 227.352 0.490 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000517028041 388533617 /nfs/dbraw/zinc/53/36/17/388533617.db2.gz FQRBATIXSNNULK-MNOVXSKESA-N 2 0 227.352 0.490 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649308660 388595022 /nfs/dbraw/zinc/59/50/22/388595022.db2.gz SKIHWPJQXBBDTD-ZDCRXTMVSA-N 2 0 225.336 0.193 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000649310583 388596221 /nfs/dbraw/zinc/59/62/21/388596221.db2.gz XBGPDOSISNNTBI-GHMZBOCLSA-N 2 0 239.363 0.442 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649310974 388596657 /nfs/dbraw/zinc/59/66/57/388596657.db2.gz RJRBPTJTUCUWIA-QCNOEVLYSA-N 2 0 237.347 0.195 20 0 BCADRP COC[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186593721 388601024 /nfs/dbraw/zinc/60/10/24/388601024.db2.gz MJKBNRHLJOTTQT-OLZOCXBDSA-N 2 0 243.395 0.637 20 0 BCADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCOC1 ZINC000186588638 388601195 /nfs/dbraw/zinc/60/11/95/388601195.db2.gz NTWHMZAGAZQIMV-QWHCGFSZSA-N 2 0 241.379 0.391 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000646839279 388612856 /nfs/dbraw/zinc/61/28/56/388612856.db2.gz ALKOTFCNXAYDLF-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)C(=O)NCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000358125716 388553296 /nfs/dbraw/zinc/55/32/96/388553296.db2.gz IOAAQHIFLBBEKF-NEPJUHHUSA-N 2 0 241.379 0.688 20 0 BCADRP CCCN(C(=O)[C@H](C)C[NH3+])[C@H]1CC[NH2+]C1 ZINC000261565208 135207104 /nfs/dbraw/zinc/20/71/04/135207104.db2.gz CXUIFOQZGQMCFZ-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)C1CCCC1 ZINC000517569944 388554734 /nfs/dbraw/zinc/55/47/34/388554734.db2.gz UANWWOIDDRHIRD-DTWKUNHWSA-N 2 0 249.305 0.603 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)c1coc(C[NH3+])c1 ZINC000517569828 388554861 /nfs/dbraw/zinc/55/48/61/388554861.db2.gz PPJPSDQHGBWXAC-UHFFFAOYSA-N 2 0 239.319 0.986 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC[NH2+]C1CC1 ZINC000521068084 388561339 /nfs/dbraw/zinc/56/13/39/388561339.db2.gz KYQONBAJXHQEIR-KOLCDFICSA-N 2 0 225.336 0.243 20 0 BCADRP CCC(C)(C)CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000646832037 388562388 /nfs/dbraw/zinc/56/23/88/388562388.db2.gz ZZXFPOQUGXTBMD-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C[NH3+])c1ccsc1 ZINC000261538571 388567842 /nfs/dbraw/zinc/56/78/42/388567842.db2.gz YPJPPOVMHATQGH-VIFPVBQESA-N 2 0 227.333 0.426 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(C)COC1 ZINC000252716309 388574272 /nfs/dbraw/zinc/57/42/72/388574272.db2.gz YCUKUQBTCGTFEB-GHMZBOCLSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(C)COC1 ZINC000252716310 388574452 /nfs/dbraw/zinc/57/44/52/388574452.db2.gz YCUKUQBTCGTFEB-WDEREUQCSA-N 2 0 212.337 0.953 20 0 BCADRP NC(=O)c1c[nH+]ccc1NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000521987705 388672582 /nfs/dbraw/zinc/67/25/82/388672582.db2.gz ITTAXQKIZRUBKK-UWVGGRQHSA-N 2 0 248.330 0.532 20 0 BCADRP NC(=O)c1c[nH+]ccc1NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000521987706 388673181 /nfs/dbraw/zinc/67/31/81/388673181.db2.gz ITTAXQKIZRUBKK-VHSXEESVSA-N 2 0 248.330 0.532 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000530218774 388631215 /nfs/dbraw/zinc/63/12/15/388631215.db2.gz HBLRMGDVRMRREV-LVFLEHKBSA-N 2 0 210.321 0.882 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1COCCN1 ZINC000530223147 388632941 /nfs/dbraw/zinc/63/29/41/388632941.db2.gz OVCHITABKMLWBW-LPWJVIDDSA-N 2 0 241.379 0.293 20 0 BCADRP CCCN(C(=O)C[C@@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000646863539 388636086 /nfs/dbraw/zinc/63/60/86/388636086.db2.gz DAGPUTWNCWWSBK-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H](CC[NH3+])C(F)F ZINC000521873060 388636919 /nfs/dbraw/zinc/63/69/19/388636919.db2.gz ZOGPPPHWEJSJOD-MRVPVSSYSA-N 2 0 237.294 0.473 20 0 BCADRP [NH3+]CCN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241750 388637602 /nfs/dbraw/zinc/63/76/02/388637602.db2.gz QRGLRZVQPPWPPN-LBPRGKRZSA-N 2 0 227.352 0.036 20 0 BCADRP O[C@H](C[NH2+]CC1CC=CC1)C[NH+]1CCCC1 ZINC000530236796 388638369 /nfs/dbraw/zinc/63/83/69/388638369.db2.gz RLHYWEFTXZSXCZ-CYBMUJFWSA-N 2 0 224.348 0.999 20 0 BCADRP C[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222658362 388643238 /nfs/dbraw/zinc/64/32/38/388643238.db2.gz CDZUWLFFGWQXFW-GARJFASQSA-N 2 0 200.326 0.687 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](C)O)[C@@H](C)C1 ZINC000222732759 388644219 /nfs/dbraw/zinc/64/42/19/388644219.db2.gz QCIBDOVOWLACPH-GARJFASQSA-N 2 0 200.326 0.687 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCc3[nH]cnc3C2)C1 ZINC000551921751 388647864 /nfs/dbraw/zinc/64/78/64/388647864.db2.gz JXNMGFGQIRDKAU-UWVGGRQHSA-N 2 0 248.330 0.335 20 0 BCADRP C[NH+](C)C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC000551949286 388649944 /nfs/dbraw/zinc/64/99/44/388649944.db2.gz DURKIUKALHKZEC-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000227156217 388742262 /nfs/dbraw/zinc/74/22/62/388742262.db2.gz CAVNVERAWKZOCL-WDEREUQCSA-N 2 0 227.352 0.441 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000227156210 388742300 /nfs/dbraw/zinc/74/23/00/388742300.db2.gz CAVNVERAWKZOCL-QWRGUYRKSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)CC[N@@H+]1C ZINC000128298958 388745493 /nfs/dbraw/zinc/74/54/93/388745493.db2.gz HHRVXZNVTQOLSG-ZYHUDNBSSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000646874307 388746355 /nfs/dbraw/zinc/74/63/55/388746355.db2.gz SORMZRUSVQELNO-NFLHVTIKSA-N 2 0 225.336 0.465 20 0 BCADRP O=C(NCCC[NH2+]C1CC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000564215433 388749222 /nfs/dbraw/zinc/74/92/22/388749222.db2.gz YQUDTNQXECLNNP-WCQYABFASA-N 2 0 237.347 0.244 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193500119 388706493 /nfs/dbraw/zinc/70/64/93/388706493.db2.gz FOLMXAFBLYJHON-KXUCPTDWSA-N 2 0 245.392 0.324 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000522170442 388712163 /nfs/dbraw/zinc/71/21/63/388712163.db2.gz VUTVTDHQTTUZDB-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC000522184206 388715579 /nfs/dbraw/zinc/71/55/79/388715579.db2.gz UCLOCMBZRJAWMB-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000522185176 388716614 /nfs/dbraw/zinc/71/66/14/388716614.db2.gz BVWCCXCPSMFPJZ-GHMZBOCLSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H](CNC(=O)C(C)(C)[NH3+])[N@H+](C)C1CC1 ZINC000226398417 388718692 /nfs/dbraw/zinc/71/86/92/388718692.db2.gz PVPCPXNTSMCPCM-QMMMGPOBSA-N 2 0 213.325 0.323 20 0 BCADRP CC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000229963155 388805964 /nfs/dbraw/zinc/80/59/64/388805964.db2.gz PMLPREZNXTZJHF-VWYCJHECSA-N 2 0 200.326 0.864 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227803344 388758333 /nfs/dbraw/zinc/75/83/33/388758333.db2.gz DMBJQQZIYCDRBZ-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000155759662 388774381 /nfs/dbraw/zinc/77/43/81/388774381.db2.gz LJBQNZXSPGCRRL-ZJUUUORDSA-N 2 0 213.325 0.276 20 0 BCADRP CC(C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000228929000 388777973 /nfs/dbraw/zinc/77/79/73/388777973.db2.gz NYOYUROTDZAOJG-HBNTYKKESA-N 2 0 227.352 0.759 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000564988303 388903182 /nfs/dbraw/zinc/90/31/82/388903182.db2.gz AWXIPHFVSDEHOE-CHWSQXEVSA-N 2 0 242.363 0.723 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1NCc1nnc(C2CC2)[nH]1 ZINC000564822563 388891481 /nfs/dbraw/zinc/89/14/81/388891481.db2.gz FAGWRGXNQJOJCL-ZJUUUORDSA-N 2 0 235.335 0.899 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000564838176 388892584 /nfs/dbraw/zinc/89/25/84/388892584.db2.gz IHEPHEVJWPVGEH-GMTAPVOTSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000564937494 388898134 /nfs/dbraw/zinc/89/81/34/388898134.db2.gz LWGOCPNJHOIXFA-AXFHLTTASA-N 2 0 242.367 0.635 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000564933014 388898174 /nfs/dbraw/zinc/89/81/74/388898174.db2.gz HYDRQBJIZXJNDT-OPDFLTKYSA-N 2 0 249.358 0.339 20 0 BCADRP C[C@H]([NH3+])CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000194857415 388900388 /nfs/dbraw/zinc/90/03/88/388900388.db2.gz OYGXETZJAJSNNQ-UWVGGRQHSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000564956537 388900945 /nfs/dbraw/zinc/90/09/45/388900945.db2.gz NEKDBBJSGRSCAN-GHMZBOCLSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccnc(C[NH3+])c1 ZINC000564957158 388901289 /nfs/dbraw/zinc/90/12/89/388901289.db2.gz CNMYIGBCAINQFK-HTQZYQBOSA-N 2 0 222.292 0.006 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccnc(C[NH3+])c1 ZINC000564957160 388901531 /nfs/dbraw/zinc/90/15/31/388901531.db2.gz CNMYIGBCAINQFK-SFYZADRCSA-N 2 0 222.292 0.006 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000564957293 388901689 /nfs/dbraw/zinc/90/16/89/388901689.db2.gz LJAWFIHXSJFUFO-PWSUYJOCSA-N 2 0 235.331 0.930 20 0 BCADRP CN(CC[NH3+])C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000564954816 388901763 /nfs/dbraw/zinc/90/17/63/388901763.db2.gz MPQMLOLACJJELE-UHFFFAOYSA-N 2 0 235.331 0.779 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000564955387 388901775 /nfs/dbraw/zinc/90/17/75/388901775.db2.gz YUQUSJFBTRAZQR-KXUCPTDWSA-N 2 0 213.325 0.357 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN1CC[C@H](OCC(C)C)C1 ZINC000564576475 388878486 /nfs/dbraw/zinc/87/84/86/388878486.db2.gz MNMRYNJOWRIWHC-QWHCGFSZSA-N 2 0 244.379 0.704 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564997970 388907953 /nfs/dbraw/zinc/90/79/53/388907953.db2.gz UAUMTZYTEJBSQU-CYBMUJFWSA-N 2 0 239.363 0.588 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC ZINC000565033289 388909943 /nfs/dbraw/zinc/90/99/43/388909943.db2.gz ACDZTPCLXRIDEG-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CC[N@H+](C[C@@H]1CCCO1)C[C@](C)(O)C[NH2+]C ZINC000565095733 388913272 /nfs/dbraw/zinc/91/32/72/388913272.db2.gz PDPSTWRVBBSWAS-NWDGAFQWSA-N 2 0 230.352 0.458 20 0 BCADRP C[C@H]1CC[N@H+](CC(=O)NC(C)(C)C[NH+](C)C)C1 ZINC000565210322 388926136 /nfs/dbraw/zinc/92/61/36/388926136.db2.gz UDOJVZXABBQYEU-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP [NH3+]CCC[NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000565234442 388929729 /nfs/dbraw/zinc/92/97/29/388929729.db2.gz UCTURGFBKZLFGA-VXGBXAGGSA-N 2 0 239.363 0.858 20 0 BCADRP CC(C)([NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000565419880 388943564 /nfs/dbraw/zinc/94/35/64/388943564.db2.gz JGRKPBOSVKTALH-MGCOHNPYSA-N 2 0 227.352 0.605 20 0 BCADRP C[C@H](O)[C@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000305647400 388948116 /nfs/dbraw/zinc/94/81/16/388948116.db2.gz SMUXUIIQVWMRIO-RYUDHWBXSA-N 2 0 223.320 0.976 20 0 BCADRP C[C@H](O)[C@@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000305647395 388948187 /nfs/dbraw/zinc/94/81/87/388948187.db2.gz SMUXUIIQVWMRIO-NWDGAFQWSA-N 2 0 223.320 0.976 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NCC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000565537958 388952323 /nfs/dbraw/zinc/95/23/23/388952323.db2.gz PAGOYCMPDHLDMR-SDDRHHMPSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000565886988 388976806 /nfs/dbraw/zinc/97/68/06/388976806.db2.gz JBYXKUVAVRIJAO-IJLUTSLNSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000565945726 388980858 /nfs/dbraw/zinc/98/08/58/388980858.db2.gz UQELYCGFTJISFT-NEPJUHHUSA-N 2 0 225.336 0.183 20 0 BCADRP CCC(CC)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000566107843 388988583 /nfs/dbraw/zinc/98/85/83/388988583.db2.gz AZBAZNCVSMLSLB-ZDUSSCGKSA-N 2 0 243.395 0.373 20 0 BCADRP C[C@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C ZINC000566117058 388988968 /nfs/dbraw/zinc/98/89/68/388988968.db2.gz RYRCEPVKACOUDX-UWVGGRQHSA-N 2 0 202.342 0.933 20 0 BCADRP CC[C@H]1C[N@H+](CCCn2ccnc2)C[C@@H]1O ZINC000272011301 389027960 /nfs/dbraw/zinc/02/79/60/389027960.db2.gz JXQRVGDTQBPELM-RYUDHWBXSA-N 2 0 223.320 0.976 20 0 BCADRP C(CN1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC[NH2+]CC1 ZINC000335622813 533365533 /nfs/dbraw/zinc/36/55/33/533365533.db2.gz FPNRNZVRSSBWDG-OLZOCXBDSA-N 2 0 223.364 0.670 20 0 BCADRP C[C@@H](NCC[N@H+]1CC=CCC1)[C@H]1CCC[NH2+]1 ZINC000400367314 533393720 /nfs/dbraw/zinc/39/37/20/533393720.db2.gz SEFZBOJMUSTQNM-CHWSQXEVSA-N 2 0 223.364 0.978 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000494686993 533536639 /nfs/dbraw/zinc/53/66/39/533536639.db2.gz PWEPCHQQXJVDJW-VHSXEESVSA-N 2 0 229.368 0.994 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000082559878 322824620 /nfs/dbraw/zinc/82/46/20/322824620.db2.gz QINQRFGMXWSBTH-OUAUKWLOSA-N 2 0 227.352 0.298 20 0 BCADRP [NH3+]CC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000361764971 132280332 /nfs/dbraw/zinc/28/03/32/132280332.db2.gz WYJPSUVAOWJWJB-UHFFFAOYSA-N 2 0 219.288 0.383 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC1CCC(C[NH3+])CC1 ZINC000343606837 133694903 /nfs/dbraw/zinc/69/49/03/133694903.db2.gz IYBQYBWVCCCBCL-DMOGRIERSA-N 2 0 241.379 0.851 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000366844080 133709413 /nfs/dbraw/zinc/70/94/13/133709413.db2.gz MRWCWPGFTVPIMW-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](NC1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000335453503 133850991 /nfs/dbraw/zinc/85/09/91/133850991.db2.gz WFRRIQSGLVKMAQ-CMPLNLGQSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCC[N@H+](C)CC1 ZINC000335982040 134037966 /nfs/dbraw/zinc/03/79/66/134037966.db2.gz BWBOESHWXONPJR-NSHDSACASA-N 2 0 242.367 0.284 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[NH2+]CC1 ZINC000336111977 134086987 /nfs/dbraw/zinc/08/69/87/134086987.db2.gz FBJSUNORZYWVLM-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)[NH3+] ZINC000336127630 134093521 /nfs/dbraw/zinc/09/35/21/134093521.db2.gz GAVWISNBIFVIQU-WPRPVWTQSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1coc(C[NH3+])c1 ZINC000336156602 134106380 /nfs/dbraw/zinc/10/63/80/134106380.db2.gz JOLRRDKUKARMEZ-DTWKUNHWSA-N 2 0 237.303 0.561 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000336169320 134114263 /nfs/dbraw/zinc/11/42/63/134114263.db2.gz GSDDQIQYQLJTTC-MNOVXSKESA-N 2 0 225.336 0.326 20 0 BCADRP CN(C(=O)C[C@H]1CCCC[C@H]1[NH3+])C1CC([NH3+])C1 ZINC000336211910 134134767 /nfs/dbraw/zinc/13/47/67/134134767.db2.gz PBQSHLRDOBKHNI-HBIQZDMRSA-N 2 0 239.363 0.842 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[NH+](C)C)C1 ZINC000167947455 134154992 /nfs/dbraw/zinc/15/49/92/134154992.db2.gz VDPPKISEOYTRGL-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP CC(C)CNC(=O)[C@@H](C)N1CCC[C@@H](C[NH3+])C1 ZINC000217553795 134248604 /nfs/dbraw/zinc/24/86/04/134248604.db2.gz MTQJOCFBGTUAOI-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)C[NH+](C)C ZINC000171184628 134255954 /nfs/dbraw/zinc/25/59/54/134255954.db2.gz MMGDMUXLYODWGU-SNVBAGLBSA-N 2 0 215.341 0.395 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)C[NH3+] ZINC000218882842 134265635 /nfs/dbraw/zinc/26/56/35/134265635.db2.gz AOEJIMFSALFFOE-UWVGGRQHSA-N 2 0 215.341 0.428 20 0 BCADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1nccn1C ZINC000219310014 134281638 /nfs/dbraw/zinc/28/16/38/134281638.db2.gz CSUIMAQEFVSOCX-NSHDSACASA-N 2 0 240.351 0.649 20 0 BCADRP [NH3+]C1(C(=O)NC[C@@H]2CCC[NH2+]2)CCCC1 ZINC000178406569 134310006 /nfs/dbraw/zinc/31/00/06/134310006.db2.gz JXFWVTFRBQWMPB-VIFPVBQESA-N 2 0 211.309 0.126 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000178407598 134310027 /nfs/dbraw/zinc/31/00/27/134310027.db2.gz RGCMIHLVNHLCMD-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP CCCN(C(=O)[C@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000178408168 134310277 /nfs/dbraw/zinc/31/02/77/134310277.db2.gz OJASABYMVQRIAE-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747472 134310792 /nfs/dbraw/zinc/31/07/92/134310792.db2.gz ZYWYIHQFVNHRIW-VIFPVBQESA-N 2 0 211.309 0.030 20 0 BCADRP CCCN(C(=O)[C@@H](C)C[NH2+]C)[C@H]1CC[NH2+]C1 ZINC000178915273 134313232 /nfs/dbraw/zinc/31/32/32/134313232.db2.gz UZQDIRYTPIDMFI-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]CCCC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000178702699 134313399 /nfs/dbraw/zinc/31/33/99/134313399.db2.gz GPWUHCYHPQOWSA-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CC[NH+](CC)CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000178940070 134313488 /nfs/dbraw/zinc/31/34/88/134313488.db2.gz WAXTZUXTYVWCHI-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP C[NH2+]CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000178809236 134315411 /nfs/dbraw/zinc/31/54/11/134315411.db2.gz OELFNEGXEWMWAT-NSHDSACASA-N 2 0 225.336 0.150 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000178867311 134316246 /nfs/dbraw/zinc/31/62/46/134316246.db2.gz IRJGTILJGFOWAD-UMNHJUIQSA-N 2 0 237.347 0.480 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H](C[NH3+])CC(C)C ZINC000179206210 134318518 /nfs/dbraw/zinc/31/85/18/134318518.db2.gz ZUPQPANHAZRZNT-JTQLQIEISA-N 2 0 215.341 0.476 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CCOCCO)[C@@H](C)C1 ZINC000221794863 134326293 /nfs/dbraw/zinc/32/62/93/134326293.db2.gz ZWTYIDXJACTUMZ-RYUDHWBXSA-N 2 0 230.352 0.315 20 0 BCADRP COC[C@@H](CCO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000223975262 134344213 /nfs/dbraw/zinc/34/42/13/134344213.db2.gz WLADLCYXLZKXQM-CYBMUJFWSA-N 2 0 244.379 0.846 20 0 BCADRP CC[C@@]1(C(=O)N2CC[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000184074338 134357594 /nfs/dbraw/zinc/35/75/94/134357594.db2.gz UCRLVJMZBWRHBB-JQWIXIFHSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[NH2+]C1 ZINC000184207239 134359763 /nfs/dbraw/zinc/35/97/63/134359763.db2.gz LDKHKLHGWARKSB-ZDUSSCGKSA-N 2 0 247.342 0.583 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C(C)(C)C[NH3+] ZINC000226407189 134365688 /nfs/dbraw/zinc/36/56/88/134365688.db2.gz LMZIIMPJBNVABW-UHFFFAOYSA-N 2 0 229.368 0.819 20 0 BCADRP Cn1cncc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000082432873 134416781 /nfs/dbraw/zinc/41/67/81/134416781.db2.gz DCFQLUZFIJELQQ-UHFFFAOYSA-N 2 0 222.336 0.852 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(C[NH3+])o1 ZINC000186840281 134442578 /nfs/dbraw/zinc/44/25/78/134442578.db2.gz CCDDBIFAWOIUGJ-WCBMZHEXSA-N 2 0 237.303 0.466 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000230711933 134533994 /nfs/dbraw/zinc/53/39/94/134533994.db2.gz GQQFEQUPAIURPJ-NWDGAFQWSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000129900778 134614850 /nfs/dbraw/zinc/61/48/50/134614850.db2.gz GCUIYVILHFUHFK-ZYHUDNBSSA-N 2 0 225.336 0.102 20 0 BCADRP C[C@]1(C(=O)NC[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000129901020 134614929 /nfs/dbraw/zinc/61/49/29/134614929.db2.gz GCUIYVILHFUHFK-JQWIXIFHSA-N 2 0 225.336 0.102 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC000133732765 134691551 /nfs/dbraw/zinc/69/15/51/134691551.db2.gz OLALZBCTINCZST-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@]1(C(=O)N2CCC(C[NH3+])CC2)CCCC[NH2+]1 ZINC000237747273 134846057 /nfs/dbraw/zinc/84/60/57/134846057.db2.gz NEQBSWSYCZIBAI-CYBMUJFWSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)CC1CC[NH2+]CC1)C1CC1 ZINC000237618996 134846090 /nfs/dbraw/zinc/84/60/90/134846090.db2.gz YZMLJDARXNNNIY-ZDUSSCGKSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH2+]3)C[C@H]12 ZINC000248568246 135005076 /nfs/dbraw/zinc/00/50/76/135005076.db2.gz CEGAKGSHZHSQCN-WRWGMCAJSA-N 2 0 237.347 0.324 20 0 BCADRP CC[C@H](COC)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000070658492 135007311 /nfs/dbraw/zinc/00/73/11/135007311.db2.gz HOSWVCBTMXTGBU-NEPJUHHUSA-N 2 0 230.352 0.458 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C[C@@H](C[NH3+])OC ZINC000232126458 135026135 /nfs/dbraw/zinc/02/61/35/135026135.db2.gz MQIQATXLSOBULW-NSHDSACASA-N 2 0 245.367 0.150 20 0 BCADRP CN(C)C(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250346532 135053135 /nfs/dbraw/zinc/05/31/35/135053135.db2.gz PZERZKBBEFDZJS-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP COC[C@H](C)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000251094515 135064152 /nfs/dbraw/zinc/06/41/52/135064152.db2.gz KZNHLONFFBSLGS-VWYCJHECSA-N 2 0 200.326 0.986 20 0 BCADRP C[C@H]([NH3+])CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000251121013 135064453 /nfs/dbraw/zinc/06/44/53/135064453.db2.gz QYXYYUCJAOCEPR-NWDGAFQWSA-N 2 0 211.353 0.894 20 0 BCADRP C[C@H](CCO)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000251187825 135064761 /nfs/dbraw/zinc/06/47/61/135064761.db2.gz ILSJFEYHCLVQJJ-VWYCJHECSA-N 2 0 200.326 0.864 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000237236561 135070409 /nfs/dbraw/zinc/07/04/09/135070409.db2.gz NOMPJKNRIJHKRB-ZDUSSCGKSA-N 2 0 249.358 0.933 20 0 BCADRP COCC1CC[NH+](CCOCC[NH3+])CC1 ZINC000086435812 135084533 /nfs/dbraw/zinc/08/45/33/135084533.db2.gz PKDPAESYWVYASJ-UHFFFAOYSA-N 2 0 216.325 0.320 20 0 BCADRP C[N@H+](CCn1cccn1)CC(C)(C)C[NH3+] ZINC000086638090 135091803 /nfs/dbraw/zinc/09/18/03/135091803.db2.gz KHRGJQOPTCURJX-UHFFFAOYSA-N 2 0 210.325 0.800 20 0 BCADRP CNC(=O)CCC[N@H+](C)CC1CC[NH2+]CC1 ZINC000086702958 135095047 /nfs/dbraw/zinc/09/50/47/135095047.db2.gz KIULFVSRVMKPRU-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP CC(C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252712219 135099964 /nfs/dbraw/zinc/09/99/64/135099964.db2.gz LVOXDRIPWAIJOE-VXGBXAGGSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000252727050 135103090 /nfs/dbraw/zinc/10/30/90/135103090.db2.gz OHAYBIBSMIOKSK-CHWFTXMASA-N 2 0 227.352 0.569 20 0 BCADRP C[NH2+]CC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000086930511 135103248 /nfs/dbraw/zinc/10/32/48/135103248.db2.gz KHHJQBVMLQHXFZ-WDEREUQCSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCOCCO ZINC000252769202 135108852 /nfs/dbraw/zinc/10/88/52/135108852.db2.gz HJWWAFUBFJRFOT-NWDGAFQWSA-N 2 0 230.352 0.315 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000252854682 135112651 /nfs/dbraw/zinc/11/26/51/135112651.db2.gz JUOQBGUVCNDDAV-UTLUCORTSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@@H](C(=O)NC[C@H]1CC[N@H+](C)C1)[C@H](C)[NH3+] ZINC000252870033 135113890 /nfs/dbraw/zinc/11/38/90/135113890.db2.gz SEKHVCHGISJFOL-KXUCPTDWSA-N 2 0 213.325 0.038 20 0 BCADRP c1cn(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)nn1 ZINC000252856005 135114202 /nfs/dbraw/zinc/11/42/02/135114202.db2.gz KNMWYYHRIHHEKP-OLZOCXBDSA-N 2 0 249.362 0.885 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC[NH2+]CC1)[NH+](C)C ZINC000262482805 135119164 /nfs/dbraw/zinc/11/91/64/135119164.db2.gz VBOPRJOTXSNNDY-LLVKDONJSA-N 2 0 227.352 0.395 20 0 BCADRP CCC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000253019888 135119194 /nfs/dbraw/zinc/11/91/94/135119194.db2.gz JLSNINDNEPTXLR-GARJFASQSA-N 2 0 200.326 0.864 20 0 BCADRP CC[C@H](O)CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000253009713 135119236 /nfs/dbraw/zinc/11/92/36/135119236.db2.gz BABLUMCRSHSHSG-DCAQKATOSA-N 2 0 200.326 0.864 20 0 BCADRP C[C@@H]1CC[N@H+](C[C@H]2CCOC2)C[C@H]1C[NH3+] ZINC000253192685 135123836 /nfs/dbraw/zinc/12/38/36/135123836.db2.gz NNJDPDCFIGBVHE-IJLUTSLNSA-N 2 0 212.337 0.940 20 0 BCADRP C[C@@H]1C[N@@H+](C[C@H]2CCCN2CC[NH3+])C[C@H](C)O1 ZINC000263086726 135124137 /nfs/dbraw/zinc/12/41/37/135124137.db2.gz XZOBSYCBVPBJNT-FRRDWIJNSA-N 2 0 241.379 0.519 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253202337 135124585 /nfs/dbraw/zinc/12/45/85/135124585.db2.gz YTBJIQMEKJBCIB-MXWKQRLJSA-N 2 0 225.336 0.467 20 0 BCADRP C[NH2+]CCC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000258791999 135134157 /nfs/dbraw/zinc/13/41/57/135134157.db2.gz MMMYMVXJXDZPPK-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000257700123 135140014 /nfs/dbraw/zinc/14/00/14/135140014.db2.gz NYMWPVVPDALXSL-DCAQKATOSA-N 2 0 225.336 0.230 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000087471639 135141353 /nfs/dbraw/zinc/14/13/53/135141353.db2.gz LHRXAFSFIDNESR-SECBINFHSA-N 2 0 215.341 0.428 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000087471655 135141774 /nfs/dbraw/zinc/14/17/74/135141774.db2.gz QOXXONKORJRHDJ-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP Cc1n[nH]cc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261545707 135150118 /nfs/dbraw/zinc/15/01/18/135150118.db2.gz KERXZRKXILKGAW-WCBMZHEXSA-N 2 0 208.309 0.887 20 0 BCADRP [NH3+]C1(C[NH2+]CCOCC(F)F)CCC1 ZINC000261529854 135156519 /nfs/dbraw/zinc/15/65/19/135156519.db2.gz BONDKLBUINPUHL-UHFFFAOYSA-N 2 0 208.252 0.739 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000261530260 135157704 /nfs/dbraw/zinc/15/77/04/135157704.db2.gz CCXWOSVGSYBAKA-NWDGAFQWSA-N 2 0 212.337 0.954 20 0 BCADRP CN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000261530956 135159273 /nfs/dbraw/zinc/15/92/73/135159273.db2.gz DQVCAQJQDKLCRB-QJPTWQEYSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C[NH+](C)C ZINC000261531381 135159845 /nfs/dbraw/zinc/15/98/45/135159845.db2.gz GHPAFSGKIBGNRX-FXPVBKGRSA-N 2 0 213.325 0.051 20 0 BCADRP c1cn(CCC[NH2+]C[C@H]2CCC[NH2+]C2)cn1 ZINC000087646297 135160976 /nfs/dbraw/zinc/16/09/76/135160976.db2.gz DINCDVIUCVFZIT-LBPRGKRZSA-N 2 0 222.336 0.862 20 0 BCADRP [NH3+]CCNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000261531878 135161597 /nfs/dbraw/zinc/16/15/97/135161597.db2.gz IEWIXRGKMKUZTF-JTQLQIEISA-N 2 0 213.325 0.359 20 0 BCADRP C[N@H+](CC1CC[NH2+]CC1)CC1(CO)CC1 ZINC000261533225 135164024 /nfs/dbraw/zinc/16/40/24/135164024.db2.gz AXQFRHRJRUBVPK-UHFFFAOYSA-N 2 0 212.337 0.690 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353391863 135166384 /nfs/dbraw/zinc/16/63/84/135166384.db2.gz DXKOAFQLPHJZEO-WRWGMCAJSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353391862 135166471 /nfs/dbraw/zinc/16/64/71/135166471.db2.gz DXKOAFQLPHJZEO-KXNHARMFSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000261539353 135177870 /nfs/dbraw/zinc/17/78/70/135177870.db2.gz CEUZSGZCLXWSJZ-IJLUTSLNSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000261542660 135182936 /nfs/dbraw/zinc/18/29/36/135182936.db2.gz HCIOTJYJBIBAMS-VIFPVBQESA-N 2 0 213.325 0.359 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000261543123 135183958 /nfs/dbraw/zinc/18/39/58/135183958.db2.gz HMHCDBSVKUVFCZ-MWLCHTKSSA-N 2 0 213.325 0.357 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000261543124 135184198 /nfs/dbraw/zinc/18/41/98/135184198.db2.gz HMHCDBSVKUVFCZ-ONGXEEELSA-N 2 0 213.325 0.357 20 0 BCADRP Cn1cc(CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000261551019 135190447 /nfs/dbraw/zinc/19/04/47/135190447.db2.gz LUDZPQCSBNOYPO-CYBMUJFWSA-N 2 0 234.347 0.648 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1CCC[NH2+]1 ZINC000261552308 135191041 /nfs/dbraw/zinc/19/10/41/135191041.db2.gz RBDANERHJOYBBV-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCn1ccnc1 ZINC000084216426 135192863 /nfs/dbraw/zinc/19/28/63/135192863.db2.gz ZJYCTXMWQYJMGY-VXGBXAGGSA-N 2 0 222.336 0.990 20 0 BCADRP O=C(CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCC1CC1 ZINC000261558840 135199949 /nfs/dbraw/zinc/19/99/49/135199949.db2.gz SSWBMRITMXTAQJ-VXGBXAGGSA-N 2 0 237.347 0.054 20 0 BCADRP C[C@@H]1CNC[C@H](C)[N@H+]1CC1CC[NH2+]CC1 ZINC000261560084 135200941 /nfs/dbraw/zinc/20/09/41/135200941.db2.gz ZNQDWDQWWIZDNI-PHIMTYICSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H](O)[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261560376 135201106 /nfs/dbraw/zinc/20/11/06/135201106.db2.gz ZULZKWFFQGOQOA-TUAOUCFPSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@@]1(C[N@@H+]2CCC[C@@H](CO)C2)CC[NH2+]C1 ZINC000261560115 135201145 /nfs/dbraw/zinc/20/11/45/135201145.db2.gz ZQHCJLDOZMRAKR-VXGBXAGGSA-N 2 0 212.337 0.690 20 0 BCADRP C[NH2+]C[C@H]1CCCN1CCn1cc(C)cn1 ZINC000261564462 135205782 /nfs/dbraw/zinc/20/57/82/135205782.db2.gz CPDBLLNPRKIDNW-GFCCVEGCSA-N 2 0 222.336 0.875 20 0 BCADRP COC(=O)C(C)(C)CCN1CC[C@H]([NH3+])C1 ZINC000261566431 135208268 /nfs/dbraw/zinc/20/82/68/135208268.db2.gz DNYCMARQVSZXKO-VIFPVBQESA-N 2 0 214.309 0.609 20 0 BCADRP O[C@H](C[NH2+][C@H]1CCCSC1)C[NH+]1CCCC1 ZINC000163972394 135209787 /nfs/dbraw/zinc/20/97/87/135209787.db2.gz CMUBTVBVNLEORX-NWDGAFQWSA-N 2 0 244.404 0.928 20 0 BCADRP C[C@H](C(=O)NCCC[NH+]1CCCC1)C1C[NH2+]C1 ZINC000163875868 135209900 /nfs/dbraw/zinc/20/99/00/135209900.db2.gz DXRVOYWZZQNDAP-NSHDSACASA-N 2 0 239.363 0.444 20 0 BCADRP CCOC(=O)CC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000261569693 135211416 /nfs/dbraw/zinc/21/14/16/135211416.db2.gz GKZBJYKBGJJIMX-SNVBAGLBSA-N 2 0 228.336 0.917 20 0 BCADRP Cc1n[nH]cc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261572002 135213820 /nfs/dbraw/zinc/21/38/20/135213820.db2.gz HYJUGLMDBHIESU-PSASIEDQSA-N 2 0 208.309 0.887 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000261574123 135216017 /nfs/dbraw/zinc/21/60/17/135216017.db2.gz JCEYGDHVYGEZGS-ONGXEEELSA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+]CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000261575488 135216914 /nfs/dbraw/zinc/21/69/14/135216914.db2.gz JUQDZWCOIIMLGX-DGCLKSJQSA-N 2 0 223.364 0.894 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000261577303 135218369 /nfs/dbraw/zinc/21/83/69/135218369.db2.gz KYFPEBCMPZFZOY-OPRDCNLKSA-N 2 0 215.341 0.603 20 0 BCADRP COC(=O)C(C)(C)C[NH2+]CC1CC[NH2+]CC1 ZINC000261578214 135219111 /nfs/dbraw/zinc/21/91/11/135219111.db2.gz LPAOWXKKTMCJLI-UHFFFAOYSA-N 2 0 228.336 0.775 20 0 BCADRP [NH3+]CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000261579872 135220961 /nfs/dbraw/zinc/22/09/61/135220961.db2.gz MNDBTIZDQUQOJW-UWVGGRQHSA-N 2 0 213.325 0.359 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](CCn2cncn2)CC1 ZINC000261583807 135225166 /nfs/dbraw/zinc/22/51/66/135225166.db2.gz PFPXUSZAGHOZSN-SNVBAGLBSA-N 2 0 223.324 0.337 20 0 BCADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCn1cncn1 ZINC000261586024 135227116 /nfs/dbraw/zinc/22/71/16/135227116.db2.gz QWFHGUHWHGVXBF-LLVKDONJSA-N 2 0 223.324 0.481 20 0 BCADRP [NH3+]CC[C@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000261590492 135230912 /nfs/dbraw/zinc/23/09/12/135230912.db2.gz UOJZOHPRBMMCBS-LLVKDONJSA-N 2 0 223.324 0.339 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000261590493 135231442 /nfs/dbraw/zinc/23/14/42/135231442.db2.gz UOJZOHPRBMMCBS-NSHDSACASA-N 2 0 223.324 0.339 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261599693 135237336 /nfs/dbraw/zinc/23/73/36/135237336.db2.gz ZXJLYMBMBJMMDR-UWVGGRQHSA-N 2 0 213.325 0.213 20 0 BCADRP O[C@@H]1[C@H]2C[C@H]3C[N@H+](CC4CC[NH2+]CC4)[C@H]1[C@H]3C2 ZINC000261546530 135238801 /nfs/dbraw/zinc/23/88/01/135238801.db2.gz GWWQHPMUAFAXEY-HTVCTNPSSA-N 2 0 236.359 0.687 20 0 BCADRP C[N@H+](C[C@H]1CCOC1)C[C@]1(C)CC[NH2+]C1 ZINC000261547167 135240106 /nfs/dbraw/zinc/24/01/06/135240106.db2.gz LYOZCIQPKAIBEK-VXGBXAGGSA-N 2 0 212.337 0.954 20 0 BCADRP O=C(CN1CC[C@]2(CC[NH2+]C2)C1)NCC1CC1 ZINC000261548239 135241922 /nfs/dbraw/zinc/24/19/22/135241922.db2.gz JDUQECJMTHBVBT-ZDUSSCGKSA-N 2 0 237.347 0.198 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000261641475 135242868 /nfs/dbraw/zinc/24/28/68/135242868.db2.gz GJXNVXFLCHEJFT-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[NH2+]1 ZINC000261657120 135243524 /nfs/dbraw/zinc/24/35/24/135243524.db2.gz BUCNRLWLBUOXDA-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000261674099 135244913 /nfs/dbraw/zinc/24/49/13/135244913.db2.gz JHTUYAPGDSKJPT-ADEWGFFLSA-N 2 0 237.347 0.337 20 0 BCADRP CN(C(=O)[C@@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261700432 135246488 /nfs/dbraw/zinc/24/64/88/135246488.db2.gz LLGQFHPWPWMOGV-RYUDHWBXSA-N 2 0 237.347 0.434 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000261707924 135246563 /nfs/dbraw/zinc/24/65/63/135246563.db2.gz DFEVBKWXABMSIF-GMTAPVOTSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000084420097 135249293 /nfs/dbraw/zinc/24/92/93/135249293.db2.gz RAWDPQROEMYBJY-MNOVXSKESA-N 2 0 227.352 0.666 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000084420075 135249549 /nfs/dbraw/zinc/24/95/49/135249549.db2.gz GCLNTOFOMUFBRA-ZJUUUORDSA-N 2 0 213.325 0.276 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000084420071 135249598 /nfs/dbraw/zinc/24/95/98/135249598.db2.gz BINFBZIWNIKYSW-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP CO[C@@H]1CCN(CC[C@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000261751548 135249937 /nfs/dbraw/zinc/24/99/37/135249937.db2.gz CGINDCVJXNTSAR-YNEHKIRRSA-N 2 0 242.363 0.851 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000084420142 135251507 /nfs/dbraw/zinc/25/15/07/135251507.db2.gz QHQZWJPWTKVESS-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP CC[NH+](CC)CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261821356 135255119 /nfs/dbraw/zinc/25/51/19/135255119.db2.gz SQGZFISQZYFREY-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP CN(CCN1CCOCC1)C[C@]1(C)CC[NH2+]C1 ZINC000261881889 135259749 /nfs/dbraw/zinc/25/97/49/135259749.db2.gz RDRWVIIASNFHJD-CYBMUJFWSA-N 2 0 241.379 0.250 20 0 BCADRP CC1CC[NH+](CCNC2=[NH+]CCCN2)CC1 ZINC000261891440 135260776 /nfs/dbraw/zinc/26/07/76/135260776.db2.gz TWYJNOUVSTXOLQ-UHFFFAOYSA-N 2 0 224.352 0.657 20 0 BCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261893710 135260785 /nfs/dbraw/zinc/26/07/85/135260785.db2.gz CLTQBLJWDYORFS-QWHCGFSZSA-N 2 0 247.342 0.410 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261900089 135260856 /nfs/dbraw/zinc/26/08/56/135260856.db2.gz YVSGLVHKLAHNFD-ATZCPNFKSA-N 2 0 225.336 0.323 20 0 BCADRP NC(=[NH2+])NCC1([NH+]2CCSCC2)CCCC1 ZINC000261914225 135262375 /nfs/dbraw/zinc/26/23/75/135262375.db2.gz ZBIRGQSLNZCPBV-UHFFFAOYSA-N 2 0 242.392 0.831 20 0 BCADRP [NH3+][C@@H](CNC(=O)C1([NH3+])CCCCC1)C1CC1 ZINC000261927844 135263642 /nfs/dbraw/zinc/26/36/42/135263642.db2.gz KMERDTBPHNMMJP-JTQLQIEISA-N 2 0 225.336 0.502 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000261930732 135264626 /nfs/dbraw/zinc/26/46/26/135264626.db2.gz ZZXXQXFAQDNBNC-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000261943116 135264752 /nfs/dbraw/zinc/26/47/52/135264752.db2.gz NVNCJDMYTLVMIH-UMNHJUIQSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC1 ZINC000261947433 135264907 /nfs/dbraw/zinc/26/49/07/135264907.db2.gz FPFXQTZMMPFXQY-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CCOC[C@]12CCOC2 ZINC000261940652 135264946 /nfs/dbraw/zinc/26/49/46/135264946.db2.gz MPDIDOIFYJTPAT-CYBMUJFWSA-N 2 0 240.347 0.477 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261944319 135265145 /nfs/dbraw/zinc/26/51/45/135265145.db2.gz FIAFUZXZSWFXOW-WDEREUQCSA-N 2 0 241.379 0.947 20 0 BCADRP C[NH+](C)CC(C)(C)CNC1=[NH+]CCCN1 ZINC000261949631 135265483 /nfs/dbraw/zinc/26/54/83/135265483.db2.gz GZKCKZYPFFBNBH-UHFFFAOYSA-N 2 0 212.341 0.513 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)[NH+](C)C ZINC000261958792 135265834 /nfs/dbraw/zinc/26/58/34/135265834.db2.gz MFZBVDHPIVWYML-UTUOFQBUSA-N 2 0 241.379 0.768 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261977407 135269010 /nfs/dbraw/zinc/26/90/10/135269010.db2.gz NZVMTEIDXKRXRB-QJPTWQEYSA-N 2 0 239.363 0.844 20 0 BCADRP [NH3+][C@@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000261996373 135270610 /nfs/dbraw/zinc/27/06/10/135270610.db2.gz ZFMAJPBWQAJXGK-STQMWFEESA-N 2 0 247.342 0.930 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000262007598 135272502 /nfs/dbraw/zinc/27/25/02/135272502.db2.gz VYACZAVRVGHOIH-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]CCC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000262018221 135272947 /nfs/dbraw/zinc/27/29/47/135272947.db2.gz ACKNLJNAKHNLHF-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC1=[NH+]CCCN1 ZINC000262014489 135273015 /nfs/dbraw/zinc/27/30/15/135273015.db2.gz XLERPHLJBFNWRS-JTQLQIEISA-N 2 0 210.325 0.410 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CC1 ZINC000262020471 135273026 /nfs/dbraw/zinc/27/30/26/135273026.db2.gz YQUZGEMSNCESMJ-NDMJEZRESA-N 2 0 239.363 0.748 20 0 BCADRP COc1ccc(CCN(CC[NH3+])CCO)cc1 ZINC000342424858 135273538 /nfs/dbraw/zinc/27/35/38/135273538.db2.gz SFDDOJMRHXIISU-UHFFFAOYSA-N 2 0 238.331 0.491 20 0 BCADRP CS(=O)(=O)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000262048630 135275653 /nfs/dbraw/zinc/27/56/53/135275653.db2.gz ZHSSZZGPJFCJJG-LLVKDONJSA-N 2 0 246.376 0.105 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000262049710 135276173 /nfs/dbraw/zinc/27/61/73/135276173.db2.gz QDJDQJVXEGKKPI-PWSUYJOCSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000262049245 135276325 /nfs/dbraw/zinc/27/63/25/135276325.db2.gz UVRWCPIYCBODNB-MNOVXSKESA-N 2 0 227.352 0.522 20 0 BCADRP C[C@@]1(C[N@@H+]2CCCC[C@@H]2CC(N)=O)CC[NH2+]C1 ZINC000262064589 135276703 /nfs/dbraw/zinc/27/67/03/135276703.db2.gz RMLDTVJZYZRGLP-DGCLKSJQSA-N 2 0 239.363 0.716 20 0 BCADRP COC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000262058190 135277248 /nfs/dbraw/zinc/27/72/48/135277248.db2.gz IDNAJOFMCFFEPU-SNVBAGLBSA-N 2 0 243.351 0.128 20 0 BCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1C[NH2+]C1 ZINC000262156159 135282850 /nfs/dbraw/zinc/28/28/50/135282850.db2.gz ANOLYWXRYDRYLV-NEPJUHHUSA-N 2 0 237.347 0.291 20 0 BCADRP COc1ccccc1[C@H]1C[NH2+]CCN1C[C@H](C)[NH3+] ZINC000262177757 135283675 /nfs/dbraw/zinc/28/36/75/135283675.db2.gz IKHKMLUSXKLPLC-WCQYABFASA-N 2 0 249.358 0.989 20 0 BCADRP CC[NH+](CC)CCOCCNC1=[NH+]CCCN1 ZINC000262231515 135286389 /nfs/dbraw/zinc/28/63/89/135286389.db2.gz AAZDOXBRSJDCPS-UHFFFAOYSA-N 2 0 242.367 0.284 20 0 BCADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@H]1CC[NH2+]1 ZINC000262309223 135292073 /nfs/dbraw/zinc/29/20/73/135292073.db2.gz CRWFFOYTXOIMHN-CHWSQXEVSA-N 2 0 245.326 0.352 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000262310247 135292353 /nfs/dbraw/zinc/29/23/53/135292353.db2.gz CUUIPRXGVNIRAA-MNOVXSKESA-N 2 0 227.352 0.429 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000262322741 135293036 /nfs/dbraw/zinc/29/30/36/135293036.db2.gz FKAISXKLTYXEDR-UTUOFQBUSA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+]C[C@H](NC(=O)C1([NH3+])CCCCC1)C1CC1 ZINC000262409918 135295417 /nfs/dbraw/zinc/29/54/17/135295417.db2.gz DAZKBFGDWYTFBM-JTQLQIEISA-N 2 0 225.336 0.502 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262425482 135296383 /nfs/dbraw/zinc/29/63/83/135296383.db2.gz SFGJHJPUQLUNEX-ZWNOBZJWSA-N 2 0 247.342 0.584 20 0 BCADRP CC(C)C[NH+]1CCC(NC(=O)[C@H](C)C[NH3+])CC1 ZINC000262434504 135296729 /nfs/dbraw/zinc/29/67/29/135296729.db2.gz UEWABTRSYAXSSC-LLVKDONJSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000262375752 135297463 /nfs/dbraw/zinc/29/74/63/135297463.db2.gz MGKMLPSZZCFPJT-SNVBAGLBSA-N 2 0 239.363 0.572 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)NCC[NH+](C)C ZINC000342643201 135300671 /nfs/dbraw/zinc/30/06/71/135300671.db2.gz AGFJNJOVLUSCQO-UHFFFAOYSA-N 2 0 244.383 0.579 20 0 BCADRP NC(=[NH2+])NCC1([NH+]2CCCC2)CCOCC1 ZINC000262473955 135300942 /nfs/dbraw/zinc/30/09/42/135300942.db2.gz YQGMJZPKMSGHMJ-UHFFFAOYSA-N 2 0 226.324 0.114 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000262472444 135301163 /nfs/dbraw/zinc/30/11/63/135301163.db2.gz YMGYKEKPEVPXAS-SCZZXKLOSA-N 2 0 213.325 0.038 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000262527349 135303853 /nfs/dbraw/zinc/30/38/53/135303853.db2.gz BDYSXLYGIBSWDA-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP [NH3+]CC1(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000262571477 135306302 /nfs/dbraw/zinc/30/63/02/135306302.db2.gz DLOGMZRNOQTAGP-MNOVXSKESA-N 2 0 239.363 0.892 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000262586419 135306862 /nfs/dbraw/zinc/30/68/62/135306862.db2.gz SOVFRBKNRGWGGD-CMPLNLGQSA-N 2 0 239.363 0.524 20 0 BCADRP CC1CC[NH+](CC(=O)NCC2([NH3+])CCC2)CC1 ZINC000342649938 135307039 /nfs/dbraw/zinc/30/70/39/135307039.db2.gz GDFHKNGOCHZEKR-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C1([NH3+])CC1)C1CCCCC1 ZINC000262601525 135307689 /nfs/dbraw/zinc/30/76/89/135307689.db2.gz PIDWRKZDRGYTOY-SNVBAGLBSA-N 2 0 225.336 0.502 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000262611461 135308699 /nfs/dbraw/zinc/30/86/99/135308699.db2.gz BWRZLKTUDGQTDF-OLZOCXBDSA-N 2 0 247.342 0.848 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000262607244 135308787 /nfs/dbraw/zinc/30/87/87/135308787.db2.gz TVRWGQYRZTVUTP-IJLUTSLNSA-N 2 0 241.379 0.994 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262626854 135309216 /nfs/dbraw/zinc/30/92/16/135309216.db2.gz LBXFOKWXYSHNGL-WYUUTHIRSA-N 2 0 239.363 0.713 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342746862 135311020 /nfs/dbraw/zinc/31/10/20/135311020.db2.gz VTJZTWMGEBPNBR-ZYHUDNBSSA-N 2 0 227.352 0.620 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C[NH2+]CC1CC1 ZINC000262644160 135311211 /nfs/dbraw/zinc/31/12/11/135311211.db2.gz RTGLVCINTBJOFI-UHFFFAOYSA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000342750251 135311427 /nfs/dbraw/zinc/31/14/27/135311427.db2.gz MBVXHWPTXCKBHD-AXFHLTTASA-N 2 0 227.352 0.346 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000342722489 135314846 /nfs/dbraw/zinc/31/48/46/135314846.db2.gz TWASYOTXBRKRPT-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000342722491 135315066 /nfs/dbraw/zinc/31/50/66/135315066.db2.gz TWASYOTXBRKRPT-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000262919736 135324221 /nfs/dbraw/zinc/32/42/21/135324221.db2.gz ZGPLPSVBFHBPSL-WZRBSPASSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@]([NH3+])(C(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000262918967 135324288 /nfs/dbraw/zinc/32/42/88/135324288.db2.gz RPGWAKPQDNEXFO-OCCSQVGLSA-N 2 0 247.342 0.714 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000263006475 135326539 /nfs/dbraw/zinc/32/65/39/135326539.db2.gz PHDPHFLJZRELIR-YPMHNXCESA-N 2 0 239.363 0.716 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000263006459 135326651 /nfs/dbraw/zinc/32/66/51/135326651.db2.gz PHDPHFLJZRELIR-AAEUAGOBSA-N 2 0 239.363 0.716 20 0 BCADRP CC[N@@H+]1CCN(C(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC000334294523 135341279 /nfs/dbraw/zinc/34/12/79/135341279.db2.gz TZUHMBIEZXKSNG-NEPJUHHUSA-N 2 0 239.363 0.491 20 0 BCADRP C[NH2+]CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000263248074 135342402 /nfs/dbraw/zinc/34/24/02/135342402.db2.gz NPDQUTBZSSEDTF-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263280119 135344181 /nfs/dbraw/zinc/34/41/81/135344181.db2.gz ZWIMNKQIMMRMOR-JQWIXIFHSA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1C[NH2+]C1 ZINC000263293778 135344909 /nfs/dbraw/zinc/34/49/09/135344909.db2.gz MAJMXLGDRTYKQN-RYUDHWBXSA-N 2 0 237.347 0.291 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000334375020 135376803 /nfs/dbraw/zinc/37/68/03/135376803.db2.gz DHNHQCWYVKZNFN-NEPJUHHUSA-N 2 0 239.363 0.716 20 0 BCADRP COCC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000081713805 135388621 /nfs/dbraw/zinc/38/86/21/135388621.db2.gz UVZZSXSJSPCDJM-NEPJUHHUSA-N 2 0 230.352 0.458 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCNCC2(F)F)CC[NH2+]1 ZINC000334399913 135389099 /nfs/dbraw/zinc/38/90/99/135389099.db2.gz DRAWPVDABAIHIL-BDAKNGLRSA-N 2 0 247.289 0.052 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335600778 135417706 /nfs/dbraw/zinc/41/77/06/135417706.db2.gz QRCXHUALZUULTE-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP CNC(=O)C(C)(C)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000230386674 135533480 /nfs/dbraw/zinc/53/34/80/135533480.db2.gz ZQIQHPYAWWQGBK-QWRGUYRKSA-N 2 0 241.379 0.866 20 0 BCADRP [NH3+]CCCOC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000094070571 135610692 /nfs/dbraw/zinc/61/06/92/135610692.db2.gz VBZNKGVELCCPSI-LBPRGKRZSA-N 2 0 242.363 0.853 20 0 BCADRP C[C@]1(CN[C@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000334873128 135829376 /nfs/dbraw/zinc/82/93/76/135829376.db2.gz HENIRLDLVKULQV-RYUDHWBXSA-N 2 0 211.353 0.718 20 0 BCADRP C[C@H]1CN(C(=O)NCC2([NH3+])CCC2)[C@@H](C)C[NH2+]1 ZINC000334932381 135844649 /nfs/dbraw/zinc/84/46/49/135844649.db2.gz QFXZESJCTOXSSF-UWVGGRQHSA-N 2 0 240.351 0.260 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH3+] ZINC000347654723 136001671 /nfs/dbraw/zinc/00/16/71/136001671.db2.gz MHGYICLONDAWNK-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000347654175 136001678 /nfs/dbraw/zinc/00/16/78/136001678.db2.gz NDODYNJMQCYJSI-OUAUKWLOSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1([NH3+])CCCCC1 ZINC000335298576 136007606 /nfs/dbraw/zinc/00/76/06/136007606.db2.gz BXMQSQDNNORHHI-UWVGGRQHSA-N 2 0 225.336 0.596 20 0 BCADRP C[C@H](C[NH3+])NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000347707767 136008489 /nfs/dbraw/zinc/00/84/89/136008489.db2.gz YMXTYAKKCXOTET-SNVBAGLBSA-N 2 0 235.331 0.825 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000348153640 136040303 /nfs/dbraw/zinc/04/03/03/136040303.db2.gz DFBGPUXQCUUXLR-KXUCPTDWSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C1([NH3+])CCCC1 ZINC000335327680 136052627 /nfs/dbraw/zinc/05/26/27/136052627.db2.gz JRPDIKWXGBPFNA-NXEZZACHSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335332403 136054234 /nfs/dbraw/zinc/05/42/34/136054234.db2.gz MMXHPKAZPJJOBX-ZYHUDNBSSA-N 2 0 225.336 0.326 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000335347380 136067242 /nfs/dbraw/zinc/06/72/42/136067242.db2.gz YVNFYEFTUSIFGL-VHSXEESVSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335368188 136081976 /nfs/dbraw/zinc/08/19/76/136081976.db2.gz TWWZXZBCLFOKDB-NXEZZACHSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCC[NH2+]CC1 ZINC000335368134 136082095 /nfs/dbraw/zinc/08/20/95/136082095.db2.gz SQVOYGUBFXWOBQ-ZJUUUORDSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[NH2+]CC1 ZINC000335368122 136082211 /nfs/dbraw/zinc/08/22/11/136082211.db2.gz SQVOYGUBFXWOBQ-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000335374606 136084983 /nfs/dbraw/zinc/08/49/83/136084983.db2.gz JURHETVKIGSJHN-PHIMTYICSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000335379129 136086985 /nfs/dbraw/zinc/08/69/85/136086985.db2.gz HFDGQGIJEJNPOU-KOLCDFICSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH3+])C[C@@]1(C)C[NH3+] ZINC000335379061 136087124 /nfs/dbraw/zinc/08/71/24/136087124.db2.gz WVDVZUBWQGCTHV-BXKDBHETSA-N 2 0 227.352 0.415 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccc3c(c2)C[NH2+]C3)C[C@@H]1[NH3+] ZINC000335383200 136088184 /nfs/dbraw/zinc/08/81/84/136088184.db2.gz ADVRLBBPOVXOGZ-RNCFNFMXSA-N 2 0 245.326 0.709 20 0 BCADRP O=C([C@H]1CCC[NH2+]C1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000335386014 136088875 /nfs/dbraw/zinc/08/88/75/136088875.db2.gz LWKCXZIRDBGSEW-CMPLNLGQSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000335390135 136090427 /nfs/dbraw/zinc/09/04/27/136090427.db2.gz MZKXSHIBWNMYPY-SNVBAGLBSA-N 2 0 223.320 0.174 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335391094 136090816 /nfs/dbraw/zinc/09/08/16/136090816.db2.gz TYDGBUWLTULXJA-JTQLQIEISA-N 2 0 225.336 0.054 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000335395470 136091987 /nfs/dbraw/zinc/09/19/87/136091987.db2.gz OQTLCDIQVIAAMT-GXFFZTMASA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H](C(=O)N(C)C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335395905 136092450 /nfs/dbraw/zinc/09/24/50/136092450.db2.gz MWCRHPJCGNDXLO-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000335396191 136092468 /nfs/dbraw/zinc/09/24/68/136092468.db2.gz RUENRNSKFULLEC-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000335396196 136092760 /nfs/dbraw/zinc/09/27/60/136092760.db2.gz RVJBQBKJYOQFBF-YPMHNXCESA-N 2 0 237.347 0.326 20 0 BCADRP CNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335397743 136093093 /nfs/dbraw/zinc/09/30/93/136093093.db2.gz WURHIUAZDDAFPG-GHMZBOCLSA-N 2 0 225.336 0.054 20 0 BCADRP CC[NH+](CC)CCCNC(=O)CCCC[NH3+] ZINC000069732736 322860098 /nfs/dbraw/zinc/86/00/98/322860098.db2.gz CGSBHTPJFCMOMQ-UHFFFAOYSA-N 2 0 229.368 0.964 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H]([NH3+])CC(C)C ZINC000647540417 397782675 /nfs/dbraw/zinc/78/26/75/397782675.db2.gz PRIYGOXDNZFWRJ-TUAOUCFPSA-N 2 0 231.359 0.992 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH3+])[C@H](C)C1 ZINC000178814179 397803242 /nfs/dbraw/zinc/80/32/42/397803242.db2.gz PFISQAIHJLOXSU-OUAUKWLOSA-N 2 0 227.352 0.522 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000257725143 397828128 /nfs/dbraw/zinc/82/81/28/397828128.db2.gz UFRIXOUISSHKGJ-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000356117159 397928576 /nfs/dbraw/zinc/92/85/76/397928576.db2.gz MPNAILFRKXBVPH-NSHDSACASA-N 2 0 242.367 0.284 20 0 BCADRP O=C([C@H]1CCC[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000446362356 397947584 /nfs/dbraw/zinc/94/75/84/397947584.db2.gz HZIAKTCOHUGOTM-OUAUKWLOSA-N 2 0 223.320 0.091 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000446361219 397947738 /nfs/dbraw/zinc/94/77/38/397947738.db2.gz YZKCFKPIIMPVKR-UMNHJUIQSA-N 2 0 237.347 0.195 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449079395 397951486 /nfs/dbraw/zinc/95/14/86/397951486.db2.gz YOBXJKQGDFXSCJ-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)CCC[NH3+] ZINC000037049759 397959285 /nfs/dbraw/zinc/95/92/85/397959285.db2.gz PSGCRDGZOGIIJX-UHFFFAOYSA-N 2 0 201.314 0.135 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC[N@H+](C)CC ZINC000054133350 397903285 /nfs/dbraw/zinc/90/32/85/397903285.db2.gz AJBYAFPWFHMKST-LLVKDONJSA-N 2 0 215.341 0.572 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000054133002 397903748 /nfs/dbraw/zinc/90/37/48/397903748.db2.gz GWVGOIAEBJJJLM-VIFPVBQESA-N 2 0 201.314 0.038 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000382948120 397991224 /nfs/dbraw/zinc/99/12/24/397991224.db2.gz KVJLGYPCAOBRGN-WDEREUQCSA-N 2 0 241.379 0.973 20 0 BCADRP C[NH2+][C@H](C)Cc1noc(C[C@@H]2CCC[C@H]2[NH3+])n1 ZINC000650228357 397997460 /nfs/dbraw/zinc/99/74/60/397997460.db2.gz XGRQJILOCQRNQY-KXUCPTDWSA-N 2 0 238.335 0.890 20 0 BCADRP C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000164996007 398001760 /nfs/dbraw/zinc/00/17/60/398001760.db2.gz PYPCRECCRQFSHS-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000372497453 398004682 /nfs/dbraw/zinc/00/46/82/398004682.db2.gz UENACKQRMLKBEF-MDZLAQPJSA-N 2 0 239.363 0.442 20 0 BCADRP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372909971 398007530 /nfs/dbraw/zinc/00/75/30/398007530.db2.gz HWLGOJFLKYKOFL-SDDRHHMPSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953140 398009627 /nfs/dbraw/zinc/00/96/27/398009627.db2.gz DJZJXIBPBUQKTM-KOLCDFICSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000383194891 398010386 /nfs/dbraw/zinc/01/03/86/398010386.db2.gz VFRGEBJZMQYDSL-VHSXEESVSA-N 2 0 225.336 0.195 20 0 BCADRP Cn1ccnc1[C@@H]1CCC[N@H+](CCO)C1 ZINC000373116032 398013914 /nfs/dbraw/zinc/01/39/14/398013914.db2.gz RBPNFVUTGHEIPO-SNVBAGLBSA-N 2 0 209.293 0.592 20 0 BCADRP C[NH2+]CCCNC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000418305321 398029241 /nfs/dbraw/zinc/02/92/41/398029241.db2.gz HOJQGWDNXCKVEU-NSHDSACASA-N 2 0 244.383 0.611 20 0 BCADRP [NH3+]CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000169807022 398031362 /nfs/dbraw/zinc/03/13/62/398031362.db2.gz OCGSONYEAUEQRF-LLVKDONJSA-N 2 0 219.288 0.118 20 0 BCADRP C[NH2+][C@H](C)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000582676821 398041503 /nfs/dbraw/zinc/04/15/03/398041503.db2.gz KQISDXXEQWBGHC-ZJUUUORDSA-N 2 0 213.325 0.100 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101753 397974163 /nfs/dbraw/zinc/97/41/63/397974163.db2.gz FUFNLLDTHLZKRV-LBPRGKRZSA-N 2 0 239.363 0.811 20 0 BCADRP C[NH+](C)C/C=C\C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000491852838 398075408 /nfs/dbraw/zinc/07/54/08/398075408.db2.gz UJWYFCIZTABJLK-GZTOBOFZSA-N 2 0 225.336 0.267 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccccn2)CC1 ZINC000344554622 398081689 /nfs/dbraw/zinc/08/16/89/398081689.db2.gz QLONSXQIMZLLCV-UHFFFAOYSA-N 2 0 235.331 0.628 20 0 BCADRP COC[C@@H]1C[C@@H](O)C[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000649744830 398083231 /nfs/dbraw/zinc/08/32/31/398083231.db2.gz OWGQKZXPQYEZCO-FRRDWIJNSA-N 2 0 242.363 0.552 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000309295374 398119071 /nfs/dbraw/zinc/11/90/71/398119071.db2.gz WYKHOPFGQNAUQQ-MWLCHTKSSA-N 2 0 225.336 0.276 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)CCC[NH3+] ZINC000083357035 398109707 /nfs/dbraw/zinc/10/97/07/398109707.db2.gz UHELHNIXPXGROE-UHFFFAOYSA-N 2 0 229.368 0.964 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])CC(C)C ZINC000638567769 398131635 /nfs/dbraw/zinc/13/16/35/398131635.db2.gz RJLXMDKTTJKFMW-GARJFASQSA-N 2 0 227.352 0.617 20 0 BCADRP CC(C)NC(=O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000036781493 167057630 /nfs/dbraw/zinc/05/76/30/167057630.db2.gz ZCVMVXRSTLTHDF-NSHDSACASA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]([NH3+])CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000251113480 322870786 /nfs/dbraw/zinc/87/07/86/322870786.db2.gz PKNXUJDEJKECSK-NEPJUHHUSA-N 2 0 211.353 0.751 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC([NH+](C)C)CC1 ZINC000037618343 167100223 /nfs/dbraw/zinc/10/02/23/167100223.db2.gz XGXQMVMOHVQPLG-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@]1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCO1 ZINC000094801857 487558804 /nfs/dbraw/zinc/55/88/04/487558804.db2.gz IAIQWBCLZXZBGI-CHWSQXEVSA-N 2 0 242.363 0.602 20 0 BCADRP CC[N@H+](CCNC(=O)CCCC[NH3+])C1CC1 ZINC000227833466 487559992 /nfs/dbraw/zinc/55/99/92/487559992.db2.gz QHMDCZRREJSHIJ-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000227931380 487569278 /nfs/dbraw/zinc/56/92/78/487569278.db2.gz IEAMWGJAEZHTSG-DGCLKSJQSA-N 2 0 244.379 0.846 20 0 BCADRP CO[C@H](C[NH3+])CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000521046438 322899996 /nfs/dbraw/zinc/89/99/96/322899996.db2.gz OYLIYEPHIBHPHR-QWRGUYRKSA-N 2 0 243.351 0.080 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000082241615 487580276 /nfs/dbraw/zinc/58/02/76/487580276.db2.gz KZNYYFZAAXXEBY-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[NH2+]CC2)C1 ZINC000082241656 487580792 /nfs/dbraw/zinc/58/07/92/487580792.db2.gz UMWGNOMXJPGYNW-LLVKDONJSA-N 2 0 225.336 0.150 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000669391380 487596494 /nfs/dbraw/zinc/59/64/94/487596494.db2.gz WAFGWGLJHZSWLW-DCAQKATOSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCC2(C)C)C[C@H](C)[NH2+]1 ZINC000662416115 487604226 /nfs/dbraw/zinc/60/42/26/487604226.db2.gz TWXLBEQJXLLNER-OUAUKWLOSA-N 2 0 239.363 0.583 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000662415034 487604436 /nfs/dbraw/zinc/60/44/36/487604436.db2.gz LOMJDISXODDZSY-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC000662266892 409569843 /nfs/dbraw/zinc/56/98/43/409569843.db2.gz QBOMEPHDPYRKOA-HBNTYKKESA-N 2 0 225.336 0.276 20 0 BCADRP COC[C@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000662264794 409559419 /nfs/dbraw/zinc/55/94/19/409559419.db2.gz MFTOSJBHLHKKIK-HNGCFSAESA-N 2 0 242.363 0.863 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC000662245481 409537753 /nfs/dbraw/zinc/53/77/53/409537753.db2.gz KAWPNKWWBPEJRK-PWSUYJOCSA-N 2 0 239.363 0.666 20 0 BCADRP CCN1CC[C@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)C1=O ZINC000662246060 409542075 /nfs/dbraw/zinc/54/20/75/409542075.db2.gz NMOZIZQXYZCDHQ-PWSUYJOCSA-N 2 0 239.363 0.666 20 0 BCADRP OCCC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662255105 409551875 /nfs/dbraw/zinc/55/18/75/409551875.db2.gz OOWIVJBSPHJTSP-LBPRGKRZSA-N 2 0 240.347 0.354 20 0 BCADRP OCCC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662255104 409553014 /nfs/dbraw/zinc/55/30/14/409553014.db2.gz OOWIVJBSPHJTSP-GFCCVEGCSA-N 2 0 240.347 0.354 20 0 BCADRP [NH3+]C1(C[NH2+]CCO[C@H]2CC2(F)F)CCC1 ZINC000662263906 409554655 /nfs/dbraw/zinc/55/46/55/409554655.db2.gz AEQSKPIHJVAZLI-QMMMGPOBSA-N 2 0 220.263 0.882 20 0 BCADRP CCCCC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286387 409618539 /nfs/dbraw/zinc/61/85/39/409618539.db2.gz TXTQOAXXXQHGTE-UHFFFAOYSA-N 2 0 200.326 0.881 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)OC ZINC000662273208 409581000 /nfs/dbraw/zinc/58/10/00/409581000.db2.gz KGMFJKAGJMZWNQ-GRYCIOLGSA-N 2 0 228.336 0.332 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)OC ZINC000662273209 409581140 /nfs/dbraw/zinc/58/11/40/409581140.db2.gz KGMFJKAGJMZWNQ-SDDRHHMPSA-N 2 0 228.336 0.332 20 0 BCADRP CC(C)(C)[C@H](CN)[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662277203 409589104 /nfs/dbraw/zinc/58/91/04/409589104.db2.gz NGYXNFMNCRDPIB-MNOVXSKESA-N 2 0 241.379 0.470 20 0 BCADRP CC(C)(C)[C@@H](CN)[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662277207 409589633 /nfs/dbraw/zinc/58/96/33/409589633.db2.gz NGYXNFMNCRDPIB-WDEREUQCSA-N 2 0 241.379 0.470 20 0 BCADRP C[C@@H]1CC[N@@H+]([C@H]2CCCN(C)C2=O)C[C@@H]1C[NH3+] ZINC000662280894 409599894 /nfs/dbraw/zinc/59/98/94/409599894.db2.gz GWGCIFPWLORMLS-WOPDTQHZSA-N 2 0 239.363 0.524 20 0 BCADRP OCC1([NH2+]CCc2ccccc2)CC[NH2+]CC1 ZINC000662284123 409614654 /nfs/dbraw/zinc/61/46/54/409614654.db2.gz LNQWRUJENJNZPG-UHFFFAOYSA-N 2 0 234.343 0.933 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCCNc1cc[nH+]cc1 ZINC000662395138 409696945 /nfs/dbraw/zinc/69/69/45/409696945.db2.gz QODXCQZVJCHNGF-NSHDSACASA-N 2 0 236.319 0.030 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@H]1CCC[NH2+]C1 ZINC000662403131 409699496 /nfs/dbraw/zinc/69/94/96/409699496.db2.gz JFTFQYDGKPXLGS-KXNHARMFSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662422364 409706337 /nfs/dbraw/zinc/70/63/37/409706337.db2.gz IFYDDWMDFYIYNY-SNVBAGLBSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@H]1CN(C(=O)c2cccc3c2C[NH2+]C3)CC[NH2+]1 ZINC000662417449 409707314 /nfs/dbraw/zinc/70/73/14/409707314.db2.gz HOWDKPLWGZNDHK-JTQLQIEISA-N 2 0 245.326 0.724 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC([NH3+])(CC)CC ZINC000662426063 409709713 /nfs/dbraw/zinc/70/97/13/409709713.db2.gz SAHKAPFOIXMATD-SECBINFHSA-N 2 0 215.341 0.618 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000662440339 409723465 /nfs/dbraw/zinc/72/34/65/409723465.db2.gz XQBXSHHDCNYMFW-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000662479424 409730203 /nfs/dbraw/zinc/73/02/03/409730203.db2.gz IEOOEFPJFPCPPV-VHSXEESVSA-N 2 0 215.341 0.441 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000662479427 409730338 /nfs/dbraw/zinc/73/03/38/409730338.db2.gz IEOOEFPJFPCPPV-ZJUUUORDSA-N 2 0 215.341 0.441 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000662549996 409751499 /nfs/dbraw/zinc/75/14/99/409751499.db2.gz WUONYQNYCHSQFM-UTLUCORTSA-N 2 0 213.325 0.180 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000662555191 409755879 /nfs/dbraw/zinc/75/58/79/409755879.db2.gz SSBSIAPMDFILFL-WDEREUQCSA-N 2 0 223.320 0.150 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662566541 409761844 /nfs/dbraw/zinc/76/18/44/409761844.db2.gz WKLXJGCBQMZAFB-TUAOUCFPSA-N 2 0 239.363 0.442 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)CC(F)(F)CN ZINC000662603169 409778498 /nfs/dbraw/zinc/77/84/98/409778498.db2.gz UTMDQDNUQCAKJP-UHFFFAOYSA-N 2 0 223.267 0.166 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662605428 409780238 /nfs/dbraw/zinc/78/02/38/409780238.db2.gz OBJOXXORSNSCPJ-SECBINFHSA-N 2 0 215.341 0.570 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@]1(C)CC[NH2+]C1 ZINC000662605686 409780402 /nfs/dbraw/zinc/78/04/02/409780402.db2.gz QHZPSRRHAGUXHZ-LLVKDONJSA-N 2 0 213.325 0.182 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000653112894 409821505 /nfs/dbraw/zinc/82/15/05/409821505.db2.gz MFJVKUYQFMPUKA-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[NH2+]1 ZINC000653136403 409856421 /nfs/dbraw/zinc/85/64/21/409856421.db2.gz OJMWGQQIXMTXSC-FIQHERPVSA-N 2 0 239.363 0.761 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653126657 409836875 /nfs/dbraw/zinc/83/68/75/409836875.db2.gz BITNVVSKFWVLGN-NEPJUHHUSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]CC2)[C@H](C)C[NH2+]1 ZINC000653128575 409840862 /nfs/dbraw/zinc/84/08/62/409840862.db2.gz LWJXDLNDDQGEQU-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000653128616 409841513 /nfs/dbraw/zinc/84/15/13/409841513.db2.gz OSYLWGYANWLEFH-NNYUYHANSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653131294 409846034 /nfs/dbraw/zinc/84/60/34/409846034.db2.gz DUWNWDHBEKWYJG-GRYCIOLGSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662623665 409795800 /nfs/dbraw/zinc/79/58/00/409795800.db2.gz ZOGIWTWRAARMEV-WDEREUQCSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC[C@@H](C)[NH+](C)C ZINC000662629619 409801229 /nfs/dbraw/zinc/80/12/29/409801229.db2.gz AOJQJECZLANNEM-LLVKDONJSA-N 2 0 229.368 0.831 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC000662629581 409802612 /nfs/dbraw/zinc/80/26/12/409802612.db2.gz AGATUDNMXPKOAY-BDAKNGLRSA-N 2 0 201.314 0.038 20 0 BCADRP C[C@H](CCNC(=O)[C@@H](C)C[NH3+])[NH+](C)C ZINC000662629583 409802788 /nfs/dbraw/zinc/80/27/88/409802788.db2.gz AGATUDNMXPKOAY-DTWKUNHWSA-N 2 0 201.314 0.038 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000662632386 409803800 /nfs/dbraw/zinc/80/38/00/409803800.db2.gz CUCKNXBMJWFXJV-RKDXNWHRSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@@H](CCNC(=O)c1ccc(C[NH3+])o1)[NH+](C)C ZINC000662632384 409804513 /nfs/dbraw/zinc/80/45/13/409804513.db2.gz CTWSQLQRIZJXJT-VIFPVBQESA-N 2 0 239.319 0.808 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)CC1([NH3+])CC1 ZINC000662781472 409909131 /nfs/dbraw/zinc/90/91/31/409909131.db2.gz VUIFUBKISOLRHG-JTQLQIEISA-N 2 0 225.336 0.598 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662783313 409913769 /nfs/dbraw/zinc/91/37/69/409913769.db2.gz DYBNDGPJRLKHOA-OPRDCNLKSA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CC1([NH3+])CC1 ZINC000662791570 409921374 /nfs/dbraw/zinc/92/13/74/409921374.db2.gz JYCFSACJXGPOTJ-NSHDSACASA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653144272 409866331 /nfs/dbraw/zinc/86/63/31/409866331.db2.gz MBOFTMUHVQVMKZ-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662717712 409870312 /nfs/dbraw/zinc/87/03/12/409870312.db2.gz CNXKHGIOAJOJNB-ZUXSNHBTSA-N 2 0 237.347 0.243 20 0 BCADRP CC1(C)CN(C(=O)[C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000653147955 409871583 /nfs/dbraw/zinc/87/15/83/409871583.db2.gz IAMPOMMGELRSBF-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653147552 409872599 /nfs/dbraw/zinc/87/25/99/409872599.db2.gz PMFWZDWXICZYRS-MNOVXSKESA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662731218 409874985 /nfs/dbraw/zinc/87/49/85/409874985.db2.gz ZRESGGCKQXPLAM-DTWKUNHWSA-N 2 0 201.314 0.213 20 0 BCADRP CC1(CNC(=O)[C@H]2C[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC000662765052 409889044 /nfs/dbraw/zinc/88/90/44/409889044.db2.gz QFWJMUQLYYZORH-MGCOHNPYSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CC2([NH3+])CC2)CC[NH2+]1 ZINC000662773675 409893027 /nfs/dbraw/zinc/89/30/27/409893027.db2.gz JFBBLLRMFHCMBC-BDAKNGLRSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662775470 409894820 /nfs/dbraw/zinc/89/48/20/409894820.db2.gz WGOYYCLRHWRIHP-MRVPVSSYSA-N 2 0 211.309 0.111 20 0 BCADRP C[C@H]([NH3+])CNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662774718 409895076 /nfs/dbraw/zinc/89/50/76/409895076.db2.gz QZJJONHVCWCBAY-VIFPVBQESA-N 2 0 233.315 0.409 20 0 BCADRP CC[C@H]1CN(C(=O)CC2([NH3+])CC2)CC[C@H]1[NH3+] ZINC000662775925 409896015 /nfs/dbraw/zinc/89/60/15/409896015.db2.gz TVTOBYNLNPTBDV-VHSXEESVSA-N 2 0 225.336 0.454 20 0 BCADRP CC[C@]1(C(=O)NCC[C@@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000662858644 409957893 /nfs/dbraw/zinc/95/78/93/409957893.db2.gz HCJPWCNNNWRIFK-DGCLKSJQSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662926298 409979846 /nfs/dbraw/zinc/97/98/46/409979846.db2.gz QMEHNDRAWYNKIX-MNOVXSKESA-N 2 0 241.379 0.864 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000662954186 409987921 /nfs/dbraw/zinc/98/79/21/409987921.db2.gz SRZUDLLAYRAELU-JQWIXIFHSA-N 2 0 235.331 0.281 20 0 BCADRP C[C@@H]1CCCN(C(=O)CC2([NH3+])CC2)[C@@H]1CC[NH3+] ZINC000662828602 409938418 /nfs/dbraw/zinc/93/84/18/409938418.db2.gz GAKQPOZNWSAVBA-GHMZBOCLSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H]1CC[NH3+] ZINC000662829663 409939365 /nfs/dbraw/zinc/93/93/65/409939365.db2.gz OWQQGHVNZZFQCT-FIQHERPVSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662839718 409948175 /nfs/dbraw/zinc/94/81/75/409948175.db2.gz UCGWOIOALRTGJO-MNOVXSKESA-N 2 0 239.363 0.857 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662839434 409948813 /nfs/dbraw/zinc/94/88/13/409948813.db2.gz QPRWLDURWSQYMO-QJPTWQEYSA-N 2 0 239.363 0.857 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663010632 410027963 /nfs/dbraw/zinc/02/79/63/410027963.db2.gz KVDMSOPBXUPDQB-MWLCHTKSSA-N 2 0 213.325 0.243 20 0 BCADRP C[C@@]1(NC(=O)[C@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000663015731 410034650 /nfs/dbraw/zinc/03/46/50/410034650.db2.gz XQZUBQBOYOJFFC-CMPLNLGQSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000662968450 409998275 /nfs/dbraw/zinc/99/82/75/409998275.db2.gz HWQQVSQMNLFYIU-MFKMUULPSA-N 2 0 247.342 0.598 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662968195 409998303 /nfs/dbraw/zinc/99/83/03/409998303.db2.gz GOCMIKOIHRTRKI-LSJOCFKGSA-N 2 0 225.336 0.241 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662968872 409998441 /nfs/dbraw/zinc/99/84/41/409998441.db2.gz KUMRKSPFPPRDJV-ZWNOBZJWSA-N 2 0 247.342 0.945 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653162751 410106576 /nfs/dbraw/zinc/10/65/76/410106576.db2.gz FVYVQTIMGZPSDD-QWRGUYRKSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653162945 410106938 /nfs/dbraw/zinc/10/69/38/410106938.db2.gz WBLWNYKYGOCKNQ-PDEGPIFNSA-N 2 0 237.347 0.465 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)CCC[NH3+] ZINC000653176095 410152230 /nfs/dbraw/zinc/15/22/30/410152230.db2.gz KACSAOXNNPFHRK-UHFFFAOYSA-N 2 0 229.368 0.819 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653167022 410134279 /nfs/dbraw/zinc/13/42/79/410134279.db2.gz FQPKOXZCKYLDAQ-AXFHLTTASA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000653169251 410137641 /nfs/dbraw/zinc/13/76/41/410137641.db2.gz UAKFDLJBRLFAFG-FDWMKNOZSA-N 2 0 249.358 0.468 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)C1 ZINC000655412164 410215909 /nfs/dbraw/zinc/21/59/09/410215909.db2.gz MYEXUQSNLDZJBY-NQBHXWOUSA-N 2 0 237.347 0.196 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655413152 410216599 /nfs/dbraw/zinc/21/65/99/410216599.db2.gz MMYPPVYSQDONAR-YPMHNXCESA-N 2 0 239.363 0.492 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655414380 410218125 /nfs/dbraw/zinc/21/81/25/410218125.db2.gz MVVKUIRCXOYHED-BXKDBHETSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C[NH2+]C1CC1)C2 ZINC000653194409 410159927 /nfs/dbraw/zinc/15/99/27/410159927.db2.gz GYUNWXMNDJDOJU-GWCFXTLKSA-N 2 0 237.347 0.326 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653197964 410160520 /nfs/dbraw/zinc/16/05/20/410160520.db2.gz BSSZRKZZCRONOV-SCVCMEIPSA-N 2 0 225.336 0.311 20 0 BCADRP [NH3+]CCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653198299 410160746 /nfs/dbraw/zinc/16/07/46/410160746.db2.gz RALQBCHHXHMXHV-JQWIXIFHSA-N 2 0 225.336 0.313 20 0 BCADRP C[NH2+]CC(=O)NCc1ccccc1C[NH2+]C ZINC000653211106 410164944 /nfs/dbraw/zinc/16/49/44/410164944.db2.gz OYDMRNXJIWURHD-UHFFFAOYSA-N 2 0 221.304 0.242 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)[C@H](C)[NH+](C)C ZINC000653214046 410165530 /nfs/dbraw/zinc/16/55/30/410165530.db2.gz DQMVFNVDYSEVMW-NSHDSACASA-N 2 0 249.358 0.972 20 0 BCADRP CC(C)[C@@H](C(=O)NCCC1(C[NH3+])CC1)[NH+](C)C ZINC000653221243 410169066 /nfs/dbraw/zinc/16/90/66/410169066.db2.gz OLWQQUAZONZQHF-NSHDSACASA-N 2 0 241.379 0.818 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCCC1(C[NH3+])CC1 ZINC000653221376 410171206 /nfs/dbraw/zinc/17/12/06/410171206.db2.gz URPYTZPKHWZBKZ-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000653223001 410171608 /nfs/dbraw/zinc/17/16/08/410171608.db2.gz YZQHTBGCRRKYLP-MNOVXSKESA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[C@H](C(=O)NCCC1(C[NH3+])CC1)[C@H](C)[NH3+] ZINC000653222638 410171639 /nfs/dbraw/zinc/17/16/39/410171639.db2.gz JSWREXGFSGLTLB-QWRGUYRKSA-N 2 0 241.379 0.851 20 0 BCADRP C[C@H]1CCCN(C(=O)CC[NH3+])[C@H]1CC[NH3+] ZINC000653233408 410175469 /nfs/dbraw/zinc/17/54/69/410175469.db2.gz WNKSUNXZLQLDQW-UWVGGRQHSA-N 2 0 213.325 0.311 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000308974826 410191882 /nfs/dbraw/zinc/19/18/82/410191882.db2.gz GHLLRDLYWAUOMW-IUCAKERBSA-N 2 0 201.314 0.357 20 0 BCADRP O=C(CC[NH2+]C1CC1)NC[C@@H]1CCCC[NH2+]1 ZINC000655413920 410219511 /nfs/dbraw/zinc/21/95/11/410219511.db2.gz MKGNEQXBSCNTHX-NSHDSACASA-N 2 0 225.336 0.387 20 0 BCADRP [NH3+]CCC1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000653256477 410237511 /nfs/dbraw/zinc/23/75/11/410237511.db2.gz YDMGSTJLKROOCW-UTUOFQBUSA-N 2 0 237.347 0.324 20 0 BCADRP CC[C@@H]1C[N@H+](CCn2cncn2)CC[C@H]1[NH3+] ZINC000309170555 410268157 /nfs/dbraw/zinc/26/81/57/410268157.db2.gz AFUMDKIOMGVQIX-GHMZBOCLSA-N 2 0 223.324 0.337 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655450476 410272314 /nfs/dbraw/zinc/27/23/14/410272314.db2.gz PRUDXTZYQCTKPH-FOGDFJRCSA-N 2 0 225.336 0.087 20 0 BCADRP CC[C@H]([NH3+])CNCc1nc2c(s1)C[NH2+]CC2 ZINC000663498745 410275990 /nfs/dbraw/zinc/27/59/90/410275990.db2.gz TVQCHPWNWAYMNM-QMMMGPOBSA-N 2 0 240.376 0.616 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655415281 410221252 /nfs/dbraw/zinc/22/12/52/410221252.db2.gz ACNSYCNMDBRVMJ-DMDPSCGWSA-N 2 0 237.347 0.244 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655415960 410221479 /nfs/dbraw/zinc/22/14/79/410221479.db2.gz UXVRPIYZCVQGEY-FOGDFJRCSA-N 2 0 225.336 0.182 20 0 BCADRP O=C(NCC[NH2+]C1CC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655416378 410221715 /nfs/dbraw/zinc/22/17/15/410221715.db2.gz RGOCZUHDUNVZOP-YPMHNXCESA-N 2 0 237.347 0.244 20 0 BCADRP C[C@@H]1CCCN(C(=O)CC[NH2+]C2CC2)[C@@H]1C[NH3+] ZINC000655417538 410223777 /nfs/dbraw/zinc/22/37/77/410223777.db2.gz JUWLCWGBYVXZAC-ZYHUDNBSSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655417646 410223929 /nfs/dbraw/zinc/22/39/29/410223929.db2.gz OSBWCHVORODFLJ-CABZTGNLSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)C1CC1 ZINC000655417555 410223938 /nfs/dbraw/zinc/22/39/38/410223938.db2.gz KLDUWLPQLSMXOT-GMXVVIOVSA-N 2 0 237.347 0.230 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)C1CC1 ZINC000655417558 410225708 /nfs/dbraw/zinc/22/57/08/410225708.db2.gz KLDUWLPQLSMXOT-NTZNESFSSA-N 2 0 237.347 0.230 20 0 BCADRP C[C@]1(C[NH2+]CCC2(C[NH3+])CC2)CC[NH2+]C1 ZINC000650714313 410348751 /nfs/dbraw/zinc/34/87/51/410348751.db2.gz YMJIHXSKDNKENL-NSHDSACASA-N 3 0 211.353 0.705 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000655452059 410291177 /nfs/dbraw/zinc/29/11/77/410291177.db2.gz APHVIUIRAYRUBO-VIFPVBQESA-N 2 0 213.325 0.100 20 0 BCADRP C[C@]1(C(=O)NCCC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000653267817 410318213 /nfs/dbraw/zinc/31/82/13/410318213.db2.gz WUIVWMHUCUZZKQ-ZDUSSCGKSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@@]1(C(=O)NCCC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000653267816 410319068 /nfs/dbraw/zinc/31/90/68/410319068.db2.gz WUIVWMHUCUZZKQ-CYBMUJFWSA-N 2 0 239.363 0.492 20 0 BCADRP [NH3+]CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650724767 410361432 /nfs/dbraw/zinc/36/14/32/410361432.db2.gz LXBQOUJTADYHNN-XQQFMLRXSA-N 3 0 241.379 0.696 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743616 410377968 /nfs/dbraw/zinc/37/79/68/410377968.db2.gz XPOZDAZSUXDYOZ-BBBLOLIVSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@H]1CCC[NH2+]1 ZINC000650747667 410387879 /nfs/dbraw/zinc/38/78/79/410387879.db2.gz FKVWAQCYYNSSAQ-WDEREUQCSA-N 3 0 211.353 0.846 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650751813 410395291 /nfs/dbraw/zinc/39/52/91/410395291.db2.gz BVSYNLNGOYQWCF-QMMMGPOBSA-N 2 0 239.294 0.638 20 0 BCADRP [NH3+]CCCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000169810924 410465067 /nfs/dbraw/zinc/46/50/67/410465067.db2.gz RFBXYOZRTCDBDZ-ZDUSSCGKSA-N 2 0 247.342 0.898 20 0 BCADRP O=C(CC[NH2+]C1CC1)NCC[C@H]1CCC[NH2+]1 ZINC000655456334 410507529 /nfs/dbraw/zinc/50/75/29/410507529.db2.gz DYGGTFRWPUSXAR-SNVBAGLBSA-N 2 0 225.336 0.387 20 0 BCADRP CC1(C)COC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000313020713 410574843 /nfs/dbraw/zinc/57/48/43/410574843.db2.gz LTBUMBGSGCEJIF-VXGBXAGGSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCC1CC[NH2+]CC1 ZINC000653272668 410539222 /nfs/dbraw/zinc/53/92/22/410539222.db2.gz YHYVPDWOIZPEPW-UWVGGRQHSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@]1(C(=O)NCCC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000653272462 410539244 /nfs/dbraw/zinc/53/92/44/410539244.db2.gz ONJQDONTEHNPPH-CYBMUJFWSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000653272585 410539809 /nfs/dbraw/zinc/53/98/09/410539809.db2.gz VCUUTJNELHGFMD-CMPLNLGQSA-N 2 0 239.363 0.490 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NCCC1CC[NH2+]CC1 ZINC000653272310 410540890 /nfs/dbraw/zinc/54/08/90/410540890.db2.gz IKBRJSKKNWUZMD-UHFFFAOYSA-N 2 0 248.330 0.614 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000653273027 410544775 /nfs/dbraw/zinc/54/47/75/410544775.db2.gz LHXMMBLLKLETQU-PHIMTYICSA-N 2 0 225.336 0.230 20 0 BCADRP CN(CC[NH+]1CCCCC1)C(=O)[C@H]1CC[NH2+]1 ZINC000653274640 410554564 /nfs/dbraw/zinc/55/45/64/410554564.db2.gz LHZMNMLMHUAJKC-LLVKDONJSA-N 2 0 225.336 0.293 20 0 BCADRP CN(CC[NH+]1CCCCC1)C(=O)C1([NH3+])CCC1 ZINC000653275069 410557691 /nfs/dbraw/zinc/55/76/91/410557691.db2.gz VVEIIJRRGWDOQV-UHFFFAOYSA-N 2 0 239.363 0.812 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655466119 410666092 /nfs/dbraw/zinc/66/60/92/410666092.db2.gz LQZANYBZRIFANV-HOSYDEDBSA-N 2 0 225.336 0.230 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000356394256 169764750 /nfs/dbraw/zinc/76/47/50/169764750.db2.gz SLHXBBZLYOCEQQ-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]C1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000655463864 410650978 /nfs/dbraw/zinc/65/09/78/410650978.db2.gz ZBDIXVQPOOZMNV-VWYCJHECSA-N 2 0 243.326 0.192 20 0 BCADRP CC(C)([NH3+])CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000309297932 410745428 /nfs/dbraw/zinc/74/54/28/410745428.db2.gz SDFJWOACEUXQIS-LBPRGKRZSA-N 2 0 211.353 0.799 20 0 BCADRP C[C@H](CNC(=O)C[C@H](C)n1ccnc1)[NH+](C)C ZINC000651088928 410791446 /nfs/dbraw/zinc/79/14/46/410791446.db2.gz RTLLPTHYXAQVTR-WDEREUQCSA-N 2 0 238.335 0.901 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489244 410795675 /nfs/dbraw/zinc/79/56/75/410795675.db2.gz NEUOHHIOCOFFGT-YFKTTZPYSA-N 2 0 241.379 0.816 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489239 410795701 /nfs/dbraw/zinc/79/57/01/410795701.db2.gz NEUOHHIOCOFFGT-WYUUTHIRSA-N 2 0 241.379 0.816 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000655489396 410796905 /nfs/dbraw/zinc/79/69/05/410796905.db2.gz QCQJZFGHDGKHSS-AXFHLTTASA-N 2 0 225.336 0.195 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000655489446 410799035 /nfs/dbraw/zinc/79/90/35/410799035.db2.gz SAUFRDNMWXEEDZ-WCQGTBRESA-N 2 0 239.363 0.570 20 0 BCADRP CC[NH+](CC)CCCNC(=O)C[C@H](C)[NH3+] ZINC000037475879 169773935 /nfs/dbraw/zinc/77/39/35/169773935.db2.gz YIFVGNYKSBQGPJ-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)[C@H](C)[NH2+]C ZINC000655484047 410748647 /nfs/dbraw/zinc/74/86/47/410748647.db2.gz KPSLELDHUSWSLD-JTQLQIEISA-N 2 0 235.331 0.630 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000040673763 410885410 /nfs/dbraw/zinc/88/54/10/410885410.db2.gz KQCICCNIEJTDAY-JQWIXIFHSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000040673739 410886067 /nfs/dbraw/zinc/88/60/67/410886067.db2.gz BUGMXZPNYNZRFL-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000040673756 410886183 /nfs/dbraw/zinc/88/61/83/410886183.db2.gz SGDKZMXRRMPGRH-NSHDSACASA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396438955 410882310 /nfs/dbraw/zinc/88/23/10/410882310.db2.gz QQNFIJSVDXMRQC-BDAKNGLRSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000040673635 410882378 /nfs/dbraw/zinc/88/23/78/410882378.db2.gz SLDDHWCVFFIMCI-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](NC(=O)C1([NH3+])CCC1)C1CC[NH+](C)CC1 ZINC000396432605 410883464 /nfs/dbraw/zinc/88/34/64/410883464.db2.gz HYIKOSUQRAGKMF-JTQLQIEISA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396443916 410883974 /nfs/dbraw/zinc/88/39/74/410883974.db2.gz XIELUOSLKACODP-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH+](CC)CCNC(=O)C[NH2+]CC1CC1 ZINC000037478073 169778571 /nfs/dbraw/zinc/77/85/71/169778571.db2.gz ZOVQEDMZLVFTJX-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000309222515 410898159 /nfs/dbraw/zinc/89/81/59/410898159.db2.gz YOVULUROVXCTKM-SFYZADRCSA-N 2 0 235.278 0.179 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000019411534 169778884 /nfs/dbraw/zinc/77/88/84/169778884.db2.gz ZWVRXHNJDVECBC-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000062112051 169779386 /nfs/dbraw/zinc/77/93/86/169779386.db2.gz RFDSIUMZOPTGHY-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCCC[NH+]1CCCC1 ZINC000037618294 167100283 /nfs/dbraw/zinc/10/02/83/167100283.db2.gz LXKZZUWFYDPUOQ-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000041680049 169784497 /nfs/dbraw/zinc/78/44/97/169784497.db2.gz VCBJKHVHWMKRMH-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C[NH2+]C ZINC000041680147 169784636 /nfs/dbraw/zinc/78/46/36/169784636.db2.gz DYBXGKAMMXIMPV-SECBINFHSA-N 2 0 201.314 0.052 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)CC[NH3+])C1 ZINC000236899480 169786600 /nfs/dbraw/zinc/78/66/00/169786600.db2.gz RBXUWJKTHVDLLO-NSHDSACASA-N 2 0 227.352 0.526 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000126146338 167344478 /nfs/dbraw/zinc/34/44/78/167344478.db2.gz SRLFZJIUQILYHT-UWVGGRQHSA-N 2 0 213.325 0.051 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@H]1C ZINC000309429146 167394401 /nfs/dbraw/zinc/39/44/01/167394401.db2.gz YXPYYGHULUZARI-NXEZZACHSA-N 2 0 213.325 0.038 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NCCCC[NH+](C)C ZINC000045708573 167395326 /nfs/dbraw/zinc/39/53/26/167395326.db2.gz MZXSSIXCJAFJKT-LLVKDONJSA-N 2 0 229.368 0.675 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)[C@@H](C)[NH3+] ZINC000399658219 411054448 /nfs/dbraw/zinc/05/44/48/411054448.db2.gz OUCZUWMAPFYJRY-WOPDTQHZSA-N 2 0 241.379 0.674 20 0 BCADRP CC(C)[C@@H](C(=O)NC1CCC([NH3+])CC1)[C@H](C)[NH3+] ZINC000399662559 411055944 /nfs/dbraw/zinc/05/59/44/411055944.db2.gz PUULNWYJTRDROG-WNYYMSAVSA-N 2 0 241.379 0.992 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000661623330 411079156 /nfs/dbraw/zinc/07/91/56/411079156.db2.gz ZMKMYSIGPSKWHS-SRVKXCTJSA-N 2 0 244.379 0.248 20 0 BCADRP CC1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[NH2+]C1 ZINC000399190047 411023800 /nfs/dbraw/zinc/02/38/00/411023800.db2.gz YHHPDRHUHREULX-MNOVXSKESA-N 2 0 237.347 0.339 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726820 411140018 /nfs/dbraw/zinc/14/00/18/411140018.db2.gz BHRGUWZZGCNCMC-WCBMZHEXSA-N 2 0 211.309 0.077 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C[C@@H]1CC[NH2+]C1 ZINC000108356789 411144351 /nfs/dbraw/zinc/14/43/51/411144351.db2.gz SGDYBGHUJMGPRA-VXGBXAGGSA-N 2 0 211.353 0.526 20 0 BCADRP COCC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400935998 411163724 /nfs/dbraw/zinc/16/37/24/411163724.db2.gz ASVFNWMMANXEBR-FDYHWXHSSA-N 2 0 242.363 0.362 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655968142 411164269 /nfs/dbraw/zinc/16/42/69/411164269.db2.gz NSSBMQQSEZCLOC-MXWKQRLJSA-N 2 0 242.367 0.363 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)CCC[NH3+] ZINC000659549758 411153527 /nfs/dbraw/zinc/15/35/27/411153527.db2.gz OZGQKIRZHFSYHB-DTWKUNHWSA-N 2 0 216.329 0.021 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC(C)(C)[NH3+])C1 ZINC000655962891 411164465 /nfs/dbraw/zinc/16/44/65/411164465.db2.gz HFZCHIGSFYUPBA-AOOOYVTPSA-N 2 0 242.367 0.363 20 0 BCADRP CC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000309511032 411157876 /nfs/dbraw/zinc/15/78/76/411157876.db2.gz XHIIQTVTJXADEO-SNVBAGLBSA-N 2 0 207.277 0.821 20 0 BCADRP C[N@H+](CC[C@H]1CCOC1)CCN1CC[NH2+]CC1 ZINC000400590697 411158354 /nfs/dbraw/zinc/15/83/54/411158354.db2.gz ADTRNNCKQDAEKE-ZDUSSCGKSA-N 2 0 241.379 0.250 20 0 BCADRP C[C@@H](O)C[N@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000655949087 411161203 /nfs/dbraw/zinc/16/12/03/411161203.db2.gz MDZMOEMNMIFNIC-GHMZBOCLSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000309392285 411162590 /nfs/dbraw/zinc/16/25/90/411162590.db2.gz GBISSEKAYYIMCB-BBBLOLIVSA-N 2 0 211.309 0.077 20 0 BCADRP CC(C)([NH3+])CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652208465 411169991 /nfs/dbraw/zinc/16/99/91/411169991.db2.gz FVACZGXPJQMWGC-UHFFFAOYSA-N 2 0 228.340 0.152 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)NCCC[NH3+] ZINC000652203756 411170541 /nfs/dbraw/zinc/17/05/41/411170541.db2.gz XANRYHTXPIYUQY-UHFFFAOYSA-N 2 0 244.383 0.612 20 0 BCADRP CN(CC[NH+]1CCCCC1)C(=O)NCC[NH3+] ZINC000652201851 411170804 /nfs/dbraw/zinc/17/08/04/411170804.db2.gz RBNBEEPZMKOMKH-UHFFFAOYSA-N 2 0 228.340 0.072 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652217583 411173040 /nfs/dbraw/zinc/17/30/40/411173040.db2.gz AQLJAZYATQIBNV-SCVCMEIPSA-N 2 0 240.351 0.104 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401023616 411173198 /nfs/dbraw/zinc/17/31/98/411173198.db2.gz MEUSJPUMOLCNOA-WUHRBBMRSA-N 2 0 242.363 0.362 20 0 BCADRP O=C1NCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401022632 411173462 /nfs/dbraw/zinc/17/34/62/411173462.db2.gz YNWFJYYYTPFYGP-YFKTTZPYSA-N 2 0 237.347 0.243 20 0 BCADRP CO[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401055987 411174890 /nfs/dbraw/zinc/17/48/90/411174890.db2.gz VRHPJVWSOSQCPG-NOOOWODRSA-N 2 0 212.337 0.999 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]([NH3+])COC(C)C ZINC000659296719 411242871 /nfs/dbraw/zinc/24/28/71/411242871.db2.gz OJIOWQACYAWKPZ-JTQLQIEISA-N 2 0 245.367 0.372 20 0 BCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402916758 411176822 /nfs/dbraw/zinc/17/68/22/411176822.db2.gz GVDRKWRJJHDHLB-GVXVVHGQSA-N 2 0 239.363 0.524 20 0 BCADRP COC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401119276 411176980 /nfs/dbraw/zinc/17/69/80/411176980.db2.gz JFVDPBIYKOISHV-NNYUYHANSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659564048 411177019 /nfs/dbraw/zinc/17/70/19/411177019.db2.gz DEVQCEBJERKYHJ-MXWKQRLJSA-N 2 0 240.351 0.117 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132955931 411177711 /nfs/dbraw/zinc/17/77/11/411177711.db2.gz MMOYFRJKGAWXFH-MXWKQRLJSA-N 2 0 227.352 0.569 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@H]2CCCNC(=O)C2)CC1 ZINC000111826524 411181455 /nfs/dbraw/zinc/18/14/55/411181455.db2.gz XJVJTLYGTVBSQZ-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655516805 411186883 /nfs/dbraw/zinc/18/68/83/411186883.db2.gz ZESVWLBAJRXMLZ-NKWVEPMBSA-N 2 0 241.257 0.380 20 0 BCADRP CC[C@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656154523 411188396 /nfs/dbraw/zinc/18/83/96/411188396.db2.gz XDSMGYKRGHRUFO-AXFHLTTASA-N 2 0 200.326 0.687 20 0 BCADRP COCC1(C[NH2+]C[C@@H](O)CN(C)C2CC2)CC1 ZINC000656155153 411189454 /nfs/dbraw/zinc/18/94/54/411189454.db2.gz KETFSQWAKDOSJT-GFCCVEGCSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC(C)(C)CC[NH3+] ZINC000565601996 322928231 /nfs/dbraw/zinc/92/82/31/322928231.db2.gz AFNFONRVBZHJCN-QMMMGPOBSA-N 2 0 201.314 0.357 20 0 BCADRP [NH3+]CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)C(F)F ZINC000656192988 411198135 /nfs/dbraw/zinc/19/81/35/411198135.db2.gz DIUNLDYRNFDLRE-YIZRAAEISA-N 2 0 221.295 0.828 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000656193017 411198266 /nfs/dbraw/zinc/19/82/66/411198266.db2.gz HVIDDIDJEZTTJR-ZDCRXTMVSA-N 2 0 215.316 0.546 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000656193082 411198284 /nfs/dbraw/zinc/19/82/84/411198284.db2.gz MBRBAMNOFNYWSI-IJLUTSLNSA-N 3 0 223.364 0.988 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000656193166 411199392 /nfs/dbraw/zinc/19/93/92/411199392.db2.gz WJCHGNPZGLXFAL-IJLUTSLNSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@@H](O)C[N@H+](C[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000656194179 411199592 /nfs/dbraw/zinc/19/95/92/411199592.db2.gz BSFNZJJPSPAKJV-ZYHUDNBSSA-N 2 0 212.337 0.831 20 0 BCADRP Cn1nnc2c1CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)C2 ZINC000656193818 411199953 /nfs/dbraw/zinc/19/99/53/411199953.db2.gz UMEJQJMFAXWYFD-QWRGUYRKSA-N 2 0 249.362 0.404 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C1 ZINC000656198331 411202678 /nfs/dbraw/zinc/20/26/78/411202678.db2.gz QHNVUZROYRFDSR-NNYUYHANSA-N 2 0 210.321 0.783 20 0 BCADRP CC1(C)NC(=O)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656198789 411203032 /nfs/dbraw/zinc/20/30/32/411203032.db2.gz SGHRDRUAXKGZDC-AXFHLTTASA-N 2 0 239.363 0.903 20 0 BCADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)S(C)(=O)=O ZINC000656198182 411203105 /nfs/dbraw/zinc/20/31/05/411203105.db2.gz JVIUEIRFUXCARX-OPRDCNLKSA-N 2 0 234.365 0.279 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C1 ZINC000656198332 411203151 /nfs/dbraw/zinc/20/31/51/411203151.db2.gz QHNVUZROYRFDSR-WHOHXGKFSA-N 2 0 210.321 0.783 20 0 BCADRP CC(C)N1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000656197829 411203267 /nfs/dbraw/zinc/20/32/67/411203267.db2.gz MUKUCSGUYDTGTO-QJPTWQEYSA-N 2 0 239.363 0.855 20 0 BCADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)S(C)(=O)=O ZINC000656198181 411203503 /nfs/dbraw/zinc/20/35/03/411203503.db2.gz JVIUEIRFUXCARX-KXUCPTDWSA-N 2 0 234.365 0.279 20 0 BCADRP C[NH2+]C[C@](C)(O)CN(C)CC[C@H]([NH3+])C(C)C ZINC000652335982 411204877 /nfs/dbraw/zinc/20/48/77/411204877.db2.gz WYZOQZILYUAIFC-RYUDHWBXSA-N 2 0 231.384 0.262 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@H+](C)CC1CCC1 ZINC000652337967 411204996 /nfs/dbraw/zinc/20/49/96/411204996.db2.gz SNTUJGJDGCWXCV-NSHDSACASA-N 2 0 200.326 0.689 20 0 BCADRP CC[C@@H]1CN(C[C@@](C)(O)C[NH2+]C)CC[C@@H]1[NH3+] ZINC000652340733 411205668 /nfs/dbraw/zinc/20/56/68/411205668.db2.gz HPQVTTLCBANUNU-WOPDTQHZSA-N 2 0 229.368 0.016 20 0 BCADRP COCC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347018 411208958 /nfs/dbraw/zinc/20/89/58/411208958.db2.gz OFXUJESIWMJSBK-AVGNSLFASA-N 2 0 242.363 0.851 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000652353138 411211834 /nfs/dbraw/zinc/21/18/34/411211834.db2.gz GCSJPDVAVGQHGF-QWHCGFSZSA-N 2 0 244.379 0.846 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000393787110 411214936 /nfs/dbraw/zinc/21/49/36/411214936.db2.gz YUYQAFVRYCTGGT-SECBINFHSA-N 2 0 213.325 0.100 20 0 BCADRP CC(C)[N@H+](C)CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422884538 411233821 /nfs/dbraw/zinc/23/38/21/411233821.db2.gz XFYCVSAMCSYKIH-VXGBXAGGSA-N 2 0 213.369 0.914 20 0 BCADRP CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC(C)(C)O ZINC000310392542 411235383 /nfs/dbraw/zinc/23/53/83/411235383.db2.gz LGTXWDRFBWIWSP-LBPRGKRZSA-N 2 0 246.395 0.780 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(CO)OC)[C@H](C)C1 ZINC000655787466 411236458 /nfs/dbraw/zinc/23/64/58/411236458.db2.gz WEKLEHODSRCPKP-FRRDWIJNSA-N 2 0 244.379 0.704 20 0 BCADRP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000310567394 411240404 /nfs/dbraw/zinc/24/04/04/411240404.db2.gz YCWPPEPBPNUIDK-OLZOCXBDSA-N 2 0 244.379 0.657 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400940707 411165420 /nfs/dbraw/zinc/16/54/20/411165420.db2.gz LQCRMSINTIMPRK-WHOHXGKFSA-N 2 0 239.363 0.489 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H](C)[NH3+])[NH+](C)C ZINC000309538321 411165742 /nfs/dbraw/zinc/16/57/42/411165742.db2.gz FXKXQACYTIEBEZ-DTWKUNHWSA-N 2 0 201.314 0.036 20 0 BCADRP COCC(COC)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400968453 411166480 /nfs/dbraw/zinc/16/64/80/411166480.db2.gz IIBIDTIRWFIYJF-SDDRHHMPSA-N 2 0 242.363 0.626 20 0 BCADRP COCC(COC)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400968438 411166530 /nfs/dbraw/zinc/16/65/30/411166530.db2.gz IIBIDTIRWFIYJF-GRYCIOLGSA-N 2 0 242.363 0.626 20 0 BCADRP CC[C@@H](CO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400968059 411166601 /nfs/dbraw/zinc/16/66/01/411166601.db2.gz CPQNUEDJHSQNSO-NOOOWODRSA-N 2 0 212.337 0.735 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659557457 411166594 /nfs/dbraw/zinc/16/65/94/411166594.db2.gz YDALHRBQOUEOSV-SKMKEBHYSA-N 2 0 240.351 0.163 20 0 BCADRP CN(C)C(=O)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400986870 411167194 /nfs/dbraw/zinc/16/71/94/411167194.db2.gz VWPGOIDKIWGIFV-SDDRHHMPSA-N 2 0 239.363 0.442 20 0 BCADRP c1c(C[NH2+]C2CC2)nnn1C1CC[NH2+]CC1 ZINC000656456911 411265690 /nfs/dbraw/zinc/26/56/90/411265690.db2.gz NOWOJWKFQLUGTR-UHFFFAOYSA-N 2 0 221.308 0.455 20 0 BCADRP CC[C@](C)([NH3+])c1cn(C2CC[NH2+]CC2)nn1 ZINC000656457506 411266734 /nfs/dbraw/zinc/26/67/34/411266734.db2.gz XHLOWRJKVBRWQP-NSHDSACASA-N 2 0 223.324 0.787 20 0 BCADRP O[C@@H]1CCCC[C@H]1[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000656701528 411327349 /nfs/dbraw/zinc/32/73/49/411327349.db2.gz WSPNSQQOVLXHKX-NNYUYHANSA-N 2 0 210.321 0.441 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000659636429 411271556 /nfs/dbraw/zinc/27/15/56/411271556.db2.gz LMVJIOCYHIXEHL-JTQLQIEISA-N 2 0 240.351 0.155 20 0 BCADRP C[C@@H]([NH3+])Cn1cc(CC[NH+]2CCCCC2)nn1 ZINC000656464663 411271597 /nfs/dbraw/zinc/27/15/97/411271597.db2.gz WBYGGPXGURAYMM-LLVKDONJSA-N 2 0 237.351 0.654 20 0 BCADRP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH2+]C)CC[C@H]1[NH3+] ZINC000659637652 411273188 /nfs/dbraw/zinc/27/31/88/411273188.db2.gz CVFHGGSZFJFDGQ-GMTAPVOTSA-N 2 0 242.367 0.363 20 0 BCADRP C[NH+](C)CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000150974363 411275534 /nfs/dbraw/zinc/27/55/34/411275534.db2.gz RTGNYXNMLKIXAX-NEPJUHHUSA-N 2 0 239.363 0.491 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000659642165 411277789 /nfs/dbraw/zinc/27/77/89/411277789.db2.gz VVYUUFIPVBUMGW-SNVBAGLBSA-N 2 0 242.367 0.330 20 0 BCADRP c1c([C@H]2CCC[NH2+]C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000656467408 411279823 /nfs/dbraw/zinc/27/98/23/411279823.db2.gz AWMCXLVOMHRJJI-VHSXEESVSA-N 2 0 221.308 0.280 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000656467457 411279885 /nfs/dbraw/zinc/27/98/85/411279885.db2.gz CIPBROPWDWPTIC-SCZZXKLOSA-N 2 0 223.324 0.858 20 0 BCADRP CC[C@](C)([NH3+])c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656468694 411280805 /nfs/dbraw/zinc/28/08/05/411280805.db2.gz RCUAAASUPCGXTR-KOLCDFICSA-N 2 0 223.324 0.787 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C)[NH+](C)C ZINC000649359079 411281520 /nfs/dbraw/zinc/28/15/20/411281520.db2.gz NGFDRDINFBRMCC-UTLUCORTSA-N 2 0 213.325 0.051 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000051694835 411281656 /nfs/dbraw/zinc/28/16/56/411281656.db2.gz IXFWROWVOJYZIE-VQXHTEKXSA-N 2 0 227.352 0.746 20 0 BCADRP [NH3+]C1CCC(NC(=O)C[NH2+]C2CC2)CC1 ZINC000051694900 411281769 /nfs/dbraw/zinc/28/17/69/411281769.db2.gz NFODYUXBKJLKIN-UHFFFAOYSA-N 2 0 211.309 0.125 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H]1CNC1=[NH+]CCCN1 ZINC000656508556 411288654 /nfs/dbraw/zinc/28/86/54/411288654.db2.gz MRZYOKZMWANCAK-JTQLQIEISA-N 2 0 224.352 0.798 20 0 BCADRP CCCN(C(=O)N[C@@H](C)C[NH2+]C)[C@H]1CC[NH2+]C1 ZINC000659643287 411293718 /nfs/dbraw/zinc/29/37/18/411293718.db2.gz PWAFFXBATJHGAD-QWRGUYRKSA-N 2 0 242.367 0.378 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000659643296 411293722 /nfs/dbraw/zinc/29/37/22/411293722.db2.gz PYFQCTMUSMKSIG-WDEREUQCSA-N 2 0 242.367 0.235 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CC[NH2+]C2)CC2(CCC2)C1 ZINC000659302673 411294400 /nfs/dbraw/zinc/29/44/00/411294400.db2.gz IGDXAANDHGBRKS-VIFPVBQESA-N 2 0 223.320 0.126 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000659643820 411295170 /nfs/dbraw/zinc/29/51/70/411295170.db2.gz UOILPPJAWRNJHG-AXFHLTTASA-N 2 0 242.367 0.363 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000659643813 411295394 /nfs/dbraw/zinc/29/53/94/411295394.db2.gz UNTVOTSRZLMALX-WDEREUQCSA-N 2 0 244.383 0.609 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000647733677 411305551 /nfs/dbraw/zinc/30/55/51/411305551.db2.gz VSBVWZXLKTVLQX-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C[NH+](C)C ZINC000062571274 411306567 /nfs/dbraw/zinc/30/65/67/411306567.db2.gz DKPWUCLAIHUVTG-SNVBAGLBSA-N 2 0 213.325 0.004 20 0 BCADRP CC[C@@H](CCO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000217810608 411308502 /nfs/dbraw/zinc/30/85/02/411308502.db2.gz AIEJCEPNOCGRGW-NWDGAFQWSA-N 2 0 230.352 0.194 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000659310072 411314564 /nfs/dbraw/zinc/31/45/64/411314564.db2.gz UCBGWOUSILQSKV-LLVKDONJSA-N 2 0 227.352 0.714 20 0 BCADRP CN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1=O ZINC000402932539 411322039 /nfs/dbraw/zinc/32/20/39/411322039.db2.gz KXKQEGLFNZSMJO-LOWVWBTDSA-N 2 0 237.347 0.278 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH3+])C[C@H]2C)CC[N@@H+]1C ZINC000653444550 411256386 /nfs/dbraw/zinc/25/63/86/411256386.db2.gz QQMFKGSWCWEEOR-WISYIIOYSA-N 2 0 239.363 0.665 20 0 BCADRP [NH3+]CCCCn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000656439932 411257639 /nfs/dbraw/zinc/25/76/39/411257639.db2.gz ZNFNKPCXCYERQT-JTQLQIEISA-N 2 0 223.324 0.484 20 0 BCADRP c1cc2c(cc1CN[C@@H]1[C@H]3C[NH2+]C[C@H]31)C[NH2+]CC2 ZINC000656784769 411361823 /nfs/dbraw/zinc/36/18/23/411361823.db2.gz CFVABSWFDLRBQF-FICVDOATSA-N 2 0 243.354 0.640 20 0 BCADRP C[C@H](C[NH3+])NCc1ccc2c(c1)C[NH2+]CC2 ZINC000656787059 411366576 /nfs/dbraw/zinc/36/65/76/411366576.db2.gz SKAIMWHPFOPFCY-SNVBAGLBSA-N 2 0 219.332 0.769 20 0 BCADRP C[C@H]1C[NH2+]C[C@H](NCC2([NH3+])CCCC2)C1 ZINC000656789769 411370127 /nfs/dbraw/zinc/37/01/27/411370127.db2.gz XVTHVVPLOWTSPE-GHMZBOCLSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@]12COC[C@@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000656791690 411371207 /nfs/dbraw/zinc/37/12/07/411371207.db2.gz IYGGKPWJSGSTBD-STQMWFEESA-N 2 0 224.348 0.954 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973217 411334888 /nfs/dbraw/zinc/33/48/88/411334888.db2.gz HTUATTLSXXEGFO-WDEREUQCSA-N 2 0 225.336 0.420 20 0 BCADRP CO[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000659848469 411340711 /nfs/dbraw/zinc/34/07/11/411340711.db2.gz AAZJYCXFODGAFJ-FRRDWIJNSA-N 2 0 224.348 0.953 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C1)C1CC[NH+](C2CC2)CC1 ZINC000659343514 411372333 /nfs/dbraw/zinc/37/23/33/411372333.db2.gz QNBYXGACMDHNSD-NSHDSACASA-N 2 0 237.347 0.339 20 0 BCADRP CO[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000659848475 411341718 /nfs/dbraw/zinc/34/17/18/411341718.db2.gz AAZJYCXFODGAFJ-RWMBFGLXSA-N 2 0 224.348 0.953 20 0 BCADRP CC1(C)[C@@H]2C[N@@H+](CCN3CC[NH2+]CC3)C[C@@H]21 ZINC000335631081 168012697 /nfs/dbraw/zinc/01/26/97/168012697.db2.gz MKDOMMVEFXXFSP-TXEJJXNPSA-N 2 0 223.364 0.479 20 0 BCADRP CC(C)[C@H](CNC(=O)C[NH3+])[NH+]1CCC(C)CC1 ZINC000236658047 168185501 /nfs/dbraw/zinc/18/55/01/168185501.db2.gz PTEHQMHACYPGBU-LBPRGKRZSA-N 2 0 241.379 0.818 20 0 BCADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N[C@H]1CC[NH2+]C1 ZINC000659301999 411390697 /nfs/dbraw/zinc/39/06/97/411390697.db2.gz BDFYXSCIKLFZSM-AAEUAGOBSA-N 2 0 245.326 0.699 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659492765 411459071 /nfs/dbraw/zinc/45/90/71/411459071.db2.gz KCTIPAQQTDMIMY-VIFPVBQESA-N 2 0 230.356 0.315 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000659311850 411393215 /nfs/dbraw/zinc/39/32/15/411393215.db2.gz QXEMISAWVHIBEX-JTQLQIEISA-N 2 0 227.352 0.489 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000659324211 411393938 /nfs/dbraw/zinc/39/39/38/411393938.db2.gz GTCASFCQZPLVSK-LBPRGKRZSA-N 2 0 247.342 0.901 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000659327556 411395279 /nfs/dbraw/zinc/39/52/79/411395279.db2.gz FLBAWQNLULUWQR-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659347025 411400874 /nfs/dbraw/zinc/40/08/74/411400874.db2.gz CHHXOZBSSVCVLX-CHWSQXEVSA-N 2 0 247.342 0.468 20 0 BCADRP [NH3+]C1CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653042905 411401762 /nfs/dbraw/zinc/40/17/62/411401762.db2.gz MBXUBKZZZBNFBC-NEPJUHHUSA-N 2 0 237.347 0.467 20 0 BCADRP O=C(NCC1CC[NH2+]CC1)[C@H]1CCC[NH2+]CC1 ZINC000653044692 411401764 /nfs/dbraw/zinc/40/17/64/411401764.db2.gz XHAIGRSOIZHYKK-LBPRGKRZSA-N 2 0 239.363 0.492 20 0 BCADRP O=C(NC1CC[NH2+]CC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653043074 411401834 /nfs/dbraw/zinc/40/18/34/411401834.db2.gz YULDDUIJJNMRSV-RYUDHWBXSA-N 2 0 237.347 0.385 20 0 BCADRP [NH3+]CCc1ccccc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000653047118 411402715 /nfs/dbraw/zinc/40/27/15/411402715.db2.gz GHKSYDZSDMEJER-NSHDSACASA-N 2 0 247.342 0.609 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000653046064 411402850 /nfs/dbraw/zinc/40/28/50/411402850.db2.gz FFDXPYJLQNKCOS-QJPTWQEYSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)C ZINC000654480195 411403169 /nfs/dbraw/zinc/40/31/69/411403169.db2.gz RTAJQCKFFCHFBT-GHMZBOCLSA-N 2 0 227.352 0.395 20 0 BCADRP [NH3+]CCC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659365810 411403933 /nfs/dbraw/zinc/40/39/33/411403933.db2.gz IHAOGXANYSFRLI-LBPRGKRZSA-N 2 0 249.314 0.635 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653051013 411405148 /nfs/dbraw/zinc/40/51/48/411405148.db2.gz CQFBGVYJBAXQLU-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653051270 411405302 /nfs/dbraw/zinc/40/53/02/411405302.db2.gz QGRUHGQLBBRDMG-VXGBXAGGSA-N 2 0 241.379 0.866 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000653053560 411405896 /nfs/dbraw/zinc/40/58/96/411405896.db2.gz RMKHHNQADMGDCU-QWRGUYRKSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+]C[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CC1 ZINC000653053355 411405952 /nfs/dbraw/zinc/40/59/52/411405952.db2.gz BVCWNEADULTKFA-AXFHLTTASA-N 2 0 225.336 0.357 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653052122 411406329 /nfs/dbraw/zinc/40/63/29/411406329.db2.gz VZHLZSYDVWQLLU-WDEREUQCSA-N 2 0 227.352 0.476 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000659377578 411406467 /nfs/dbraw/zinc/40/64/67/411406467.db2.gz HCOHOVXSRYGBTB-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659378603 411406993 /nfs/dbraw/zinc/40/69/93/411406993.db2.gz JJTOBBVFOCVSJS-RHYQMDGZSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@@H](C)[NH3+] ZINC000659388565 411410508 /nfs/dbraw/zinc/41/05/08/411410508.db2.gz KJACGGOAGYZTGP-DBIOUOCHSA-N 2 0 245.342 0.504 20 0 BCADRP CC[N@H+](CCNC(=O)N[C@H](C)C[NH2+]C)C1CC1 ZINC000659448152 411416407 /nfs/dbraw/zinc/41/64/07/411416407.db2.gz MIZZWNAYIPBSAQ-SNVBAGLBSA-N 2 0 242.367 0.378 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000659460318 411417467 /nfs/dbraw/zinc/41/74/67/411417467.db2.gz OAIJNDLMDOHOQH-AXFHLTTASA-N 2 0 242.367 0.376 20 0 BCADRP C[NH2+]CCCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659505375 411422756 /nfs/dbraw/zinc/42/27/56/411422756.db2.gz VPLUHLWKNQVPKI-SNVBAGLBSA-N 2 0 230.356 0.269 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN(C)C[C@H](O)C1CC1 ZINC000653566729 411423484 /nfs/dbraw/zinc/42/34/84/411423484.db2.gz HMGLUCFNGJQXNG-NEPJUHHUSA-N 2 0 230.352 0.002 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000654657278 411424083 /nfs/dbraw/zinc/42/40/83/411424083.db2.gz PFMSALIDVOJEBB-SNVBAGLBSA-N 2 0 227.352 0.395 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000659512315 411424973 /nfs/dbraw/zinc/42/49/73/411424973.db2.gz UWTIWZGZSQVSPE-GARJFASQSA-N 2 0 242.367 0.282 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659516006 411426512 /nfs/dbraw/zinc/42/65/12/411426512.db2.gz FIJYZXCAROUFJC-YZRBJQDESA-N 2 0 240.351 0.102 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000659517761 411426878 /nfs/dbraw/zinc/42/68/78/411426878.db2.gz BKFSLWMOKMCXHW-UHFFFAOYSA-N 2 0 242.367 0.635 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000659543473 411433116 /nfs/dbraw/zinc/43/31/16/411433116.db2.gz QGMRDADNPJNNKB-KXUCPTDWSA-N 2 0 228.340 0.034 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000122576367 411433279 /nfs/dbraw/zinc/43/32/79/411433279.db2.gz XTIRPXIZIBYAJI-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659546307 411433638 /nfs/dbraw/zinc/43/36/38/411433638.db2.gz BFICLRUPYSIWJX-JTQLQIEISA-N 2 0 244.383 0.883 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659546308 411433675 /nfs/dbraw/zinc/43/36/75/411433675.db2.gz BFICLRUPYSIWJX-SNVBAGLBSA-N 2 0 244.383 0.883 20 0 BCADRP C[NH+](C)CC1CN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000615502043 411434012 /nfs/dbraw/zinc/43/40/12/411434012.db2.gz BSLHCAVQHXXWII-UHFFFAOYSA-N 2 0 225.336 0.101 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659553713 411435534 /nfs/dbraw/zinc/43/55/34/411435534.db2.gz AYKZWOODUFLGTC-RKVXJDFWSA-N 2 0 240.351 0.245 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000659556530 411435575 /nfs/dbraw/zinc/43/55/75/411435575.db2.gz YSCWCSBSPLVOND-UWVGGRQHSA-N 2 0 242.367 0.493 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000659558592 411436202 /nfs/dbraw/zinc/43/62/02/411436202.db2.gz AMIYALJFYHTBBQ-VIFPVBQESA-N 2 0 228.340 0.023 20 0 BCADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000654737318 411437761 /nfs/dbraw/zinc/43/77/61/411437761.db2.gz OAFPWVSDTGUINI-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)CCNC(=O)NCC1([NH3+])CCCC1 ZINC000659573904 411438877 /nfs/dbraw/zinc/43/88/77/411438877.db2.gz ULCVPFXHWMEIGU-UHFFFAOYSA-N 2 0 228.340 0.119 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659577263 411439461 /nfs/dbraw/zinc/43/94/61/411439461.db2.gz JRYARVNARBKJAB-SECBINFHSA-N 2 0 226.324 0.001 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000070619048 411441125 /nfs/dbraw/zinc/44/11/25/411441125.db2.gz QSMPNUYFXPRVEX-PWSUYJOCSA-N 2 0 225.336 0.339 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659609727 411441506 /nfs/dbraw/zinc/44/15/06/411441506.db2.gz LDGYRRLVVPXSAV-MNOVXSKESA-N 2 0 242.367 0.378 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659609472 411441701 /nfs/dbraw/zinc/44/17/01/411441701.db2.gz AEKGEMCBRNZMHQ-UHFFFAOYSA-N 2 0 240.351 0.165 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N(C)CC[NH+](C)C ZINC000659623810 411443779 /nfs/dbraw/zinc/44/37/79/411443779.db2.gz LTULSKDOBXWXNE-LLVKDONJSA-N 2 0 244.383 0.563 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000659634193 411443983 /nfs/dbraw/zinc/44/39/83/411443983.db2.gz JEIXJCONISGFPQ-JTQLQIEISA-N 2 0 240.351 0.084 20 0 BCADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000126568769 411444313 /nfs/dbraw/zinc/44/43/13/411444313.db2.gz WXQLVJWZSXRWKN-CYBMUJFWSA-N 2 0 247.342 0.840 20 0 BCADRP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000637834214 411444457 /nfs/dbraw/zinc/44/44/57/411444457.db2.gz YTJCEZZXAXCFOW-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N(CC[NH+](C)C)C(C)C ZINC000659636448 411445233 /nfs/dbraw/zinc/44/52/33/411445233.db2.gz LXYCVHWGLHJKLF-NSHDSACASA-N 2 0 244.383 0.576 20 0 BCADRP C[NH+](C)CCCNCc1cc2n(n1)CCC2 ZINC000657286721 411446009 /nfs/dbraw/zinc/44/60/09/411446009.db2.gz BQYJHSUUNGDHIM-UHFFFAOYSA-N 2 0 222.336 0.871 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)[C@H]([NH3+])c1ccccc1 ZINC000126669992 411451851 /nfs/dbraw/zinc/45/18/51/411451851.db2.gz BLYYWDKBJQXLNE-RTXFEEFZSA-N 2 0 247.342 0.801 20 0 BCADRP C[C@@H](CC(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000126942734 411464286 /nfs/dbraw/zinc/46/42/86/411464286.db2.gz VXZQZZVEQCONOK-QJPTWQEYSA-N 2 0 239.363 0.490 20 0 BCADRP C[NH2+]CCNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659514610 411467499 /nfs/dbraw/zinc/46/74/99/411467499.db2.gz LRBPLVPDGLOCCU-JTQLQIEISA-N 2 0 242.367 0.378 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000659516178 411469884 /nfs/dbraw/zinc/46/98/84/411469884.db2.gz FXNPHYPNYZUXFB-MNOVXSKESA-N 2 0 244.383 0.642 20 0 BCADRP O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCC[NH2+]CC1 ZINC000407252774 411476168 /nfs/dbraw/zinc/47/61/68/411476168.db2.gz HVHDLLNKLHAJBS-RYUDHWBXSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407322068 411480330 /nfs/dbraw/zinc/48/03/30/411480330.db2.gz JVUKWSIVBOPGJK-MNOVXSKESA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000659523253 411481032 /nfs/dbraw/zinc/48/10/32/411481032.db2.gz SAMUJQSXZBVHNM-ZJUUUORDSA-N 2 0 230.356 0.267 20 0 BCADRP CC[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)CO1 ZINC000657370321 411483754 /nfs/dbraw/zinc/48/37/54/411483754.db2.gz BRMATRIORDZGKZ-NEPJUHHUSA-N 2 0 242.363 0.600 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](C)C(C)(C)C2)C1 ZINC000655051499 411485703 /nfs/dbraw/zinc/48/57/03/411485703.db2.gz DDOBNDQQWRPRPN-LLVKDONJSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@@]1(C[NH2+]CCCn2ccnc2)CC[NH2+]C1 ZINC000415100065 411491795 /nfs/dbraw/zinc/49/17/95/411491795.db2.gz HHQWYYHXQLUNSO-LBPRGKRZSA-N 2 0 222.336 0.862 20 0 BCADRP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C[C@H](C)O)C(C)C ZINC000659909504 411495326 /nfs/dbraw/zinc/49/53/26/411495326.db2.gz VCJVAFJHNNXHMG-STQMWFEESA-N 2 0 246.395 0.779 20 0 BCADRP CC[C@@H]1CN(C(=O)CC[NH2+]C)CC[C@@H]1[NH3+] ZINC000309466123 411496787 /nfs/dbraw/zinc/49/67/87/411496787.db2.gz PZVKMRHELOLINU-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000659534196 411496822 /nfs/dbraw/zinc/49/68/22/411496822.db2.gz AVLUDOCDQKJYQM-NXEZZACHSA-N 2 0 228.340 0.036 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@H]1CC[NH2+]C1 ZINC000127668862 411501114 /nfs/dbraw/zinc/50/11/14/411501114.db2.gz RGJCUDTWANMTRY-PWSUYJOCSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]1 ZINC000638925171 411514256 /nfs/dbraw/zinc/51/42/56/411514256.db2.gz JNOSISHXIANNBC-UMNHJUIQSA-N 2 0 223.320 0.091 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925159 411514313 /nfs/dbraw/zinc/51/43/13/411514313.db2.gz JEGUAOQEBZTTNP-SDDRHHMPSA-N 2 0 237.347 0.339 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659547055 411516294 /nfs/dbraw/zinc/51/62/94/411516294.db2.gz AGBZZYSORBGALX-NXEZZACHSA-N 2 0 230.356 0.396 20 0 BCADRP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655807986 411521399 /nfs/dbraw/zinc/52/13/99/411521399.db2.gz ZLEBKGBMFSCMFY-SDDRHHMPSA-N 2 0 241.379 0.783 20 0 BCADRP [NH3+]C1(CNC(=O)NCC[NH2+]C2CC2)CCCC1 ZINC000659510386 411465245 /nfs/dbraw/zinc/46/52/45/411465245.db2.gz ONTMJRCWVGDIFI-UHFFFAOYSA-N 2 0 240.351 0.309 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000037643430 170007246 /nfs/dbraw/zinc/00/72/46/170007246.db2.gz LTJCCLCXRPBKSN-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000040464015 170015860 /nfs/dbraw/zinc/01/58/60/170015860.db2.gz AWHNLYIRYMEVNU-MNOVXSKESA-N 2 0 227.352 0.428 20 0 BCADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)NC)C1 ZINC000309987100 170016052 /nfs/dbraw/zinc/01/60/52/170016052.db2.gz YUDCNVBFXCZKNR-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCOC2)[C@@H](C)C1 ZINC000358225809 170020221 /nfs/dbraw/zinc/02/02/21/170020221.db2.gz MRLOODQJKKJNHW-AVGNSLFASA-N 2 0 242.363 0.458 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](COC)OC)[C@H](C)C1 ZINC000358428911 170021320 /nfs/dbraw/zinc/02/13/20/170021320.db2.gz DWKKBHSVJCZMOF-UPJWGTAASA-N 2 0 244.379 0.968 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC(=O)NC2)[C@@H](C)C1 ZINC000358125614 170022926 /nfs/dbraw/zinc/02/29/26/170022926.db2.gz IEJIARDYXKEWNM-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOCC[NH3+] ZINC000357081929 170024639 /nfs/dbraw/zinc/02/46/39/170024639.db2.gz NVLJAUPTMNJVTG-OLZOCXBDSA-N 2 0 241.379 0.520 20 0 BCADRP CCN1C[C@H]([NH2+]C[C@H](C)N(C)C)[C@@H](C)C1 ZINC000309053262 170034510 /nfs/dbraw/zinc/03/45/10/170034510.db2.gz SFKGDEPUQBCWCJ-SRVKXCTJSA-N 2 0 213.369 0.866 20 0 BCADRP CCNC(=O)CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366563053 170051253 /nfs/dbraw/zinc/05/12/53/170051253.db2.gz UBFHMJFMBDEKIJ-ZDUSSCGKSA-N 2 0 239.363 0.540 20 0 BCADRP CCNC(=O)C[N@H+](CC)CCC1CC[NH2+]CC1 ZINC000042369468 170056853 /nfs/dbraw/zinc/05/68/53/170056853.db2.gz YSAOCJFDUMLSJZ-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP O=C1NCC[C@@H]1[NH2+]Cc1cccc2nccn21 ZINC000657525906 411542644 /nfs/dbraw/zinc/54/26/44/411542644.db2.gz WGLNYJDNZGYLBV-JTQLQIEISA-N 2 0 230.271 0.312 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246210834 170114294 /nfs/dbraw/zinc/11/42/94/170114294.db2.gz BZFIXISVXQQHQT-TUAOUCFPSA-N 2 0 239.363 0.633 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000309517229 170114394 /nfs/dbraw/zinc/11/43/94/170114394.db2.gz SBWHIKNJPSOMCA-JTQLQIEISA-N 2 0 213.325 0.244 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000236931168 170114435 /nfs/dbraw/zinc/11/44/35/170114435.db2.gz XLEVIHIPQZEZJL-IUCAKERBSA-N 2 0 201.314 0.086 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000236931244 170114545 /nfs/dbraw/zinc/11/45/45/170114545.db2.gz MBXSPTXQUAACJY-NSHDSACASA-N 2 0 221.304 0.412 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000236925862 170115071 /nfs/dbraw/zinc/11/50/71/170115071.db2.gz JPXGQWXUZYTSPR-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C1(C[NH3+])CCCC1 ZINC000358946458 170156886 /nfs/dbraw/zinc/15/68/86/170156886.db2.gz QZVAGAGEYDJAES-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H](CO)CC1CC1 ZINC000657700212 411582732 /nfs/dbraw/zinc/58/27/32/411582732.db2.gz MSYNQMHEPQEQPU-WXHSDQCUSA-N 2 0 226.364 0.935 20 0 BCADRP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)Cn1cncn1 ZINC000657831058 411609266 /nfs/dbraw/zinc/60/92/66/411609266.db2.gz RCNWTOCBOZSIRZ-GFCCVEGCSA-N 2 0 239.367 0.987 20 0 BCADRP CCNC(=O)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660652054 411613026 /nfs/dbraw/zinc/61/30/26/411613026.db2.gz FRCZXRLRBJXPEU-ZDUSSCGKSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+]CC1CC[NH+](C)CC1 ZINC000657872362 411614232 /nfs/dbraw/zinc/61/42/32/411614232.db2.gz NIUHLNXKQFOBME-LLVKDONJSA-N 2 0 237.351 0.598 20 0 BCADRP CNC(=O)CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656833 411614419 /nfs/dbraw/zinc/61/44/19/411614419.db2.gz YLRMWJCBZVYUAG-CYBMUJFWSA-N 2 0 239.363 0.540 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659376 411614779 /nfs/dbraw/zinc/61/47/79/411614779.db2.gz ORVPHAGNRNXCMI-STQMWFEESA-N 2 0 242.363 0.411 20 0 BCADRP C[C@@H]1CCCCN1C(=O)CN(C)CCC[NH3+] ZINC000133217427 411649000 /nfs/dbraw/zinc/64/90/00/411649000.db2.gz QKYYJAOKAUGSGN-LLVKDONJSA-N 2 0 227.352 0.668 20 0 BCADRP C[C@@H]1[NH2+]CCN(C[C@@]23C[C@@H]2C[NH2+]C3)[C@H]1C ZINC000663493429 411671516 /nfs/dbraw/zinc/67/15/16/411671516.db2.gz BNMRGOPWOFMHDL-YFKTTZPYSA-N 2 0 209.337 0.278 20 0 BCADRP C[C@@H]1CCCN(C[C@@]23C[C@@H]2C[NH2+]C3)[C@H]1C[NH3+] ZINC000663493997 411672323 /nfs/dbraw/zinc/67/23/23/411672323.db2.gz GKIYDZYLTBBLND-NDBYEHHHSA-N 2 0 223.364 0.655 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494322 411672514 /nfs/dbraw/zinc/67/25/14/411672514.db2.gz NVLKOFFZRAMDLE-KXNHARMFSA-N 2 0 209.337 0.278 20 0 BCADRP C([N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494287 411673274 /nfs/dbraw/zinc/67/32/74/411673274.db2.gz NJAFIEPGRQASNG-BARDWOONSA-N 3 0 249.402 0.917 20 0 BCADRP CC[NH2+]CC1CC[NH+](C[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC000663494613 411675347 /nfs/dbraw/zinc/67/53/47/411675347.db2.gz JQFOKEBNTXPMIE-KGLIPLIRSA-N 3 0 237.391 0.917 20 0 BCADRP CC[C@@H]1CN(C[C@@]23C[C@@H]2C[NH2+]C3)CC[C@@H]1[NH3+] ZINC000663494592 411675587 /nfs/dbraw/zinc/67/55/87/411675587.db2.gz JPUMSZQRQQUTKL-NDBYEHHHSA-N 2 0 223.364 0.655 20 0 BCADRP [NH3+]CC[C@H](NC[C@@]12C[C@@H]1C[NH2+]C2)C(F)F ZINC000663496744 411676511 /nfs/dbraw/zinc/67/65/11/411676511.db2.gz IXRNYRMIFUAHKD-WEDXCCLWSA-N 2 0 219.279 0.168 20 0 BCADRP C[C@@H]1CN(C[C@]23C[C@H]2C[NH2+]C3)C[C@@]1(C)C[NH3+] ZINC000663495971 411677298 /nfs/dbraw/zinc/67/72/98/411677298.db2.gz BKBALUYWWAYXCD-YVECIDJPSA-N 2 0 223.364 0.513 20 0 BCADRP C[NH2+][C@@H]1CCCN(C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663496147 411677816 /nfs/dbraw/zinc/67/78/16/411677816.db2.gz SKIBREREFXCVGL-UTUOFQBUSA-N 2 0 209.337 0.280 20 0 BCADRP C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663500221 411683014 /nfs/dbraw/zinc/68/30/14/411683014.db2.gz YZACKIRKRRFBEF-UPJWGTAASA-N 2 0 235.375 0.860 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000663500614 411684508 /nfs/dbraw/zinc/68/45/08/411684508.db2.gz LUJYGUAXQFXVIQ-YECOWLKZSA-N 2 0 209.337 0.598 20 0 BCADRP CC(C)[C@H]([NH3+])CCN[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000663502212 411685232 /nfs/dbraw/zinc/68/52/32/411685232.db2.gz FLXNYSWFMYLICF-SDDRHHMPSA-N 2 0 213.369 0.947 20 0 BCADRP Cn1cncc1CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000314415415 411690225 /nfs/dbraw/zinc/69/02/25/411690225.db2.gz VHBJKQFEBWQNIW-RYUDHWBXSA-N 2 0 234.347 0.504 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CCOC2(C[NH2+]C2)C1 ZINC000663510129 411692789 /nfs/dbraw/zinc/69/27/89/411692789.db2.gz NQBYRTJHYIERJX-NSHDSACASA-N 2 0 227.352 0.034 20 0 BCADRP O=C(C[NH2+]C1CC1)NCC[NH+]1CCCCC1 ZINC000049575506 322929343 /nfs/dbraw/zinc/92/93/43/322929343.db2.gz YZVBZDJTNUEHBS-UHFFFAOYSA-N 2 0 225.336 0.341 20 0 BCADRP COc1c(N)ncnc1NCC[C@@H](C)[NH+](C)C ZINC000664246952 411897483 /nfs/dbraw/zinc/89/74/83/411897483.db2.gz ZPVWVKKPYYDCHI-MRVPVSSYSA-N 2 0 239.323 0.820 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccnc(N)c2)C1 ZINC000567471937 411920195 /nfs/dbraw/zinc/92/01/95/411920195.db2.gz BGIMOSNHGBPREL-GXSJLCMTSA-N 2 0 220.320 0.833 20 0 BCADRP C[C@H]1CC[N@H+](Cc2ccc(N)nc2)C[C@@H]1C[NH3+] ZINC000647551709 411926766 /nfs/dbraw/zinc/92/67/66/411926766.db2.gz DYWWJDMDPPSSEX-JQWIXIFHSA-N 2 0 234.347 1.081 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCC2(COC2)C1 ZINC000662075138 411976900 /nfs/dbraw/zinc/97/69/00/411976900.db2.gz YQCYTOITBAPYMN-GFCCVEGCSA-N 2 0 242.363 0.410 20 0 BCADRP Nc1nc(N2CCC[C@H]([NH3+])C2)c2c([nH+]1)CCCC2 ZINC000647704015 411981071 /nfs/dbraw/zinc/98/10/71/411981071.db2.gz ZDFKOUPSVLQLNH-VIFPVBQESA-N 2 0 247.346 0.865 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662139247 412001199 /nfs/dbraw/zinc/00/11/99/412001199.db2.gz BTNPENVXZWDTHX-AGIUHOORSA-N 2 0 244.379 0.249 20 0 BCADRP CCC[N@H+](C)CC(C)(C)NC(=O)C[NH3+] ZINC000664721935 412014431 /nfs/dbraw/zinc/01/44/31/412014431.db2.gz WNSJZTPFAHULNH-UHFFFAOYSA-N 2 0 201.314 0.182 20 0 BCADRP Nc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000647546824 411958189 /nfs/dbraw/zinc/95/81/89/411958189.db2.gz CXSDAZBYTJZARQ-MNOVXSKESA-N 2 0 220.320 1.023 20 0 BCADRP Nc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cn1 ZINC000647546903 411958667 /nfs/dbraw/zinc/95/86/67/411958667.db2.gz GXUFFDLBJBRRMJ-NSHDSACASA-N 2 0 220.320 0.896 20 0 BCADRP C[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H](C)[NH2+]1 ZINC000662242968 412037836 /nfs/dbraw/zinc/03/78/36/412037836.db2.gz FYSLNPKZPZQMHE-TUAOUCFPSA-N 2 0 239.363 0.190 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)NCC[C@H](C)[NH+](C)C ZINC000664895784 412039914 /nfs/dbraw/zinc/03/99/14/412039914.db2.gz ILQVRCWFGKIZOO-QWRGUYRKSA-N 2 0 244.383 0.576 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662247175 412045225 /nfs/dbraw/zinc/04/52/25/412045225.db2.gz USPHRLJEZHFKCW-RYUDHWBXSA-N 3 0 239.363 0.049 20 0 BCADRP COC[C@@H](C[N@H+](C)CC[C@@H]([NH3+])C(C)C)OC ZINC000662247345 412045273 /nfs/dbraw/zinc/04/52/73/412045273.db2.gz FYIDGFZNOWFFGG-VXGBXAGGSA-N 2 0 232.368 0.953 20 0 BCADRP COC[C@@H](C[NH2+][C@](C)(C[NH3+])C1CC1)OC ZINC000662248036 412046333 /nfs/dbraw/zinc/04/63/33/412046333.db2.gz RFNZNEPKZJLPBZ-GHMZBOCLSA-N 2 0 216.325 0.365 20 0 BCADRP CC[C@@H]1COCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252890 412050293 /nfs/dbraw/zinc/05/02/93/412050293.db2.gz RBCOLDAPXSKGOJ-NEPJUHHUSA-N 2 0 240.347 0.618 20 0 BCADRP C[C@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254626 412050303 /nfs/dbraw/zinc/05/03/03/412050303.db2.gz QVVOCDWDHYXCID-QWRGUYRKSA-N 2 0 210.321 0.849 20 0 BCADRP CC(C)CO[C@H]1CC[N@H+](C[C@@H]2CNCCO2)C1 ZINC000662259548 412053059 /nfs/dbraw/zinc/05/30/59/412053059.db2.gz YQXOTAIRBKFNAP-STQMWFEESA-N 2 0 242.363 0.722 20 0 BCADRP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCOC1 ZINC000662258986 412053215 /nfs/dbraw/zinc/05/32/15/412053215.db2.gz ZSGYUXFAIQESNV-MNOVXSKESA-N 2 0 226.320 0.228 20 0 BCADRP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCOC1 ZINC000662258985 412054562 /nfs/dbraw/zinc/05/45/62/412054562.db2.gz ZSGYUXFAIQESNV-GHMZBOCLSA-N 2 0 226.320 0.228 20 0 BCADRP CCN1CC[C@H]([N@@H+]2C[C@H](C[NH3+])C[C@H]2C)C1=O ZINC000662265257 412055595 /nfs/dbraw/zinc/05/55/95/412055595.db2.gz OQVOIFKKPZBCPI-VWYCJHECSA-N 2 0 225.336 0.276 20 0 BCADRP COC[C@H](C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)OC ZINC000662265550 412058220 /nfs/dbraw/zinc/05/82/20/412058220.db2.gz QXKRMOIVGLMIMP-DCAQKATOSA-N 2 0 216.325 0.317 20 0 BCADRP CN(C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](C[NH3+])C1CC1 ZINC000662272649 412063191 /nfs/dbraw/zinc/06/31/91/412063191.db2.gz HKNOYPGYDJQYOJ-NEPJUHHUSA-N 2 0 239.363 0.177 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@@H](C)[NH3+] ZINC000370767646 171099383 /nfs/dbraw/zinc/09/93/83/171099383.db2.gz VBWBZBCTJAYUKF-UTUOFQBUSA-N 2 0 239.363 0.809 20 0 BCADRP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000042308391 171111312 /nfs/dbraw/zinc/11/13/12/171111312.db2.gz QYVQIHARHSVCMZ-QWHCGFSZSA-N 2 0 241.379 0.391 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000353162950 171145863 /nfs/dbraw/zinc/14/58/63/171145863.db2.gz BJSHCBVAADQSIH-QWRGUYRKSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]C[C@H]1C ZINC000353131009 171146126 /nfs/dbraw/zinc/14/61/26/171146126.db2.gz PWCHKFRTSBLEPW-VWYCJHECSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH+](C)C ZINC000353001288 171146375 /nfs/dbraw/zinc/14/63/75/171146375.db2.gz HMTUNIOFTYRHIJ-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000353194766 171147042 /nfs/dbraw/zinc/14/70/42/171147042.db2.gz UNPPUKZSJDUEDR-DCAQKATOSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000353458268 171147160 /nfs/dbraw/zinc/14/71/60/171147160.db2.gz IYRVKLMOWNDZBU-RHYQMDGZSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000353463684 171147233 /nfs/dbraw/zinc/14/72/33/171147233.db2.gz WIJGZIMQAHBHHQ-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000353128830 171148235 /nfs/dbraw/zinc/14/82/35/171148235.db2.gz LOZASLIXDQMVSP-GVXVVHGQSA-N 2 0 241.379 0.864 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C[NH3+])CC(C)C ZINC000353159891 171148291 /nfs/dbraw/zinc/14/82/91/171148291.db2.gz CWXQXJSUBMCRQK-SRVKXCTJSA-N 2 0 241.379 0.864 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000353162947 171148462 /nfs/dbraw/zinc/14/84/62/171148462.db2.gz BJSHCBVAADQSIH-MNOVXSKESA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000353122572 171148586 /nfs/dbraw/zinc/14/85/86/171148586.db2.gz AVYODHNLQYDDTK-DCAQKATOSA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000353194767 171149572 /nfs/dbraw/zinc/14/95/72/171149572.db2.gz UNPPUKZSJDUEDR-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP C[N@H+](CC[C@@H]1CCCCO1)C[C@H](O)C[NH3+] ZINC000662276553 412069505 /nfs/dbraw/zinc/06/95/05/412069505.db2.gz KJMMHEYNGOIEGI-MNOVXSKESA-N 2 0 216.325 0.197 20 0 BCADRP C[N@H+](CC[C@@H]1CCCCO1)C[C@@H](O)C[NH3+] ZINC000662276554 412069617 /nfs/dbraw/zinc/06/96/17/412069617.db2.gz KJMMHEYNGOIEGI-QWRGUYRKSA-N 2 0 216.325 0.197 20 0 BCADRP C([C@@H]1C[NH2+]CCO1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662277577 412069745 /nfs/dbraw/zinc/06/97/45/412069745.db2.gz QFSVZJXDXLPINB-STQMWFEESA-N 2 0 239.363 0.050 20 0 BCADRP CC[C@@]1(C(=O)N(C)CC[NH2+]C)CCC[NH2+]1 ZINC000129037148 171194189 /nfs/dbraw/zinc/19/41/89/171194189.db2.gz JYUBULCUQXZFGF-NSHDSACASA-N 2 0 213.325 0.196 20 0 BCADRP CC[C@@]1(C(=O)N2CCC[C@H]([NH2+]C)C2)CC[NH2+]C1 ZINC000119224066 171195364 /nfs/dbraw/zinc/19/53/64/171195364.db2.gz KJQVTIOPVFKBHY-WCQYABFASA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@@]1(C(=O)N[C@@H]2CCC[NH2+]CC2)CCC[NH2+]1 ZINC000364161538 171195689 /nfs/dbraw/zinc/19/56/89/171195689.db2.gz OSZMUEYDTUDMJR-YPMHNXCESA-N 2 0 239.363 0.777 20 0 BCADRP CC[C@@]1(C(=O)NCC(F)(F)CN)CCC[NH2+]1 ZINC000190307500 171195979 /nfs/dbraw/zinc/19/59/79/171195979.db2.gz RQZUSXNEJRBHFY-VIFPVBQESA-N 2 0 235.278 0.229 20 0 BCADRP CC[C@@]1(C(=O)N2CCC[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000134364734 171196065 /nfs/dbraw/zinc/19/60/65/171196065.db2.gz ZWPWTVHDIRMIJJ-JQWIXIFHSA-N 2 0 225.336 0.468 20 0 BCADRP CC[C@@]1(C(=O)NC2CCC([NH3+])CC2)CC[NH2+]C1 ZINC000062903698 171196154 /nfs/dbraw/zinc/19/61/54/171196154.db2.gz BSNATCUZIIFCHB-GCZXYKMCSA-N 2 0 239.363 0.762 20 0 BCADRP CC[C@@]1(C(=O)N2CC[NH2+][C@@H](C)C2)CC[NH2+]C1 ZINC000368565884 171196568 /nfs/dbraw/zinc/19/65/68/171196568.db2.gz DVXVNDLEBSYODO-CMPLNLGQSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+](C)C ZINC000125098988 171223925 /nfs/dbraw/zinc/22/39/25/171223925.db2.gz ROIWWGMHXKUQEM-NWDGAFQWSA-N 2 0 241.379 0.879 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)[NH+](C)C ZINC000373041638 171225782 /nfs/dbraw/zinc/22/57/82/171225782.db2.gz HFASKCNARXKUBC-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)OC ZINC000662282617 412072776 /nfs/dbraw/zinc/07/27/76/412072776.db2.gz PDQFWEYNNFHKQX-SRVKXCTJSA-N 2 0 230.352 0.565 20 0 BCADRP CC[C@H](C(=O)NC1CC[NH+](C)CC1)[NH+](C)C ZINC000124575377 171227331 /nfs/dbraw/zinc/22/73/31/171227331.db2.gz MHBYOWOCIRMTPH-LLVKDONJSA-N 2 0 227.352 0.537 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)OC ZINC000662282622 412073773 /nfs/dbraw/zinc/07/37/73/412073773.db2.gz PDQFWEYNNFHKQX-WOPDTQHZSA-N 2 0 230.352 0.565 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662283292 412074571 /nfs/dbraw/zinc/07/45/71/412074571.db2.gz HCJVMMTZUNCUHU-IJLUTSLNSA-N 3 0 239.363 0.319 20 0 BCADRP COC[C@@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])OC ZINC000662284507 412075146 /nfs/dbraw/zinc/07/51/46/412075146.db2.gz WCLYOODMOFMRTP-GMTAPVOTSA-N 2 0 216.325 0.507 20 0 BCADRP C[C@@H](C(N)=O)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293981 412082541 /nfs/dbraw/zinc/08/25/41/412082541.db2.gz VQURZMTUSFVNGL-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](C(N)=O)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293984 412082821 /nfs/dbraw/zinc/08/28/21/412082821.db2.gz VQURZMTUSFVNGL-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(C)(C)[NH3+] ZINC000077307737 171304863 /nfs/dbraw/zinc/30/48/63/171304863.db2.gz LCSCEMRTNIRTGB-VIFPVBQESA-N 2 0 215.341 0.570 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C[NH2+]CC1CC1 ZINC000226397019 171307162 /nfs/dbraw/zinc/30/71/62/171307162.db2.gz SXFJMFSLBJKIIJ-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H](C)NC(=O)CN1CC[C@@H](C[NH2+]C)C1 ZINC000221296850 171324438 /nfs/dbraw/zinc/32/44/38/171324438.db2.gz BKOAZKZVKYEDJN-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@H](C)NC(=O)CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226540880 171324929 /nfs/dbraw/zinc/32/49/29/171324929.db2.gz CZDZAXUTUMIHSB-HBNTYKKESA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H](C)NC(=O)CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228080263 171325388 /nfs/dbraw/zinc/32/53/88/171325388.db2.gz QIXFURBKYNCOHF-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](O)C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662285167 412078431 /nfs/dbraw/zinc/07/84/31/412078431.db2.gz YMWBPXUKUIJUJC-JQWIXIFHSA-N 2 0 240.347 0.353 20 0 BCADRP OCC1([NH2+]CC[C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000662286839 412078628 /nfs/dbraw/zinc/07/86/28/412078628.db2.gz MWQWCRHFKUXNAB-LBPRGKRZSA-N 3 0 241.379 0.080 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1nccn1C ZINC000037823001 171369813 /nfs/dbraw/zinc/36/98/13/171369813.db2.gz UWYPCUNNBAHPFS-GXSJLCMTSA-N 2 0 238.335 0.752 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](C)CC1 ZINC000055368230 171370189 /nfs/dbraw/zinc/37/01/89/171370189.db2.gz FYRFSERMHKRZGQ-CMPLNLGQSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000035738366 171370302 /nfs/dbraw/zinc/37/03/02/171370302.db2.gz ZFDDLUYBRHHBEC-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000040503566 171370479 /nfs/dbraw/zinc/37/04/79/171370479.db2.gz SRCSQMGRXBSMRJ-QJPTWQEYSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183377369 171370660 /nfs/dbraw/zinc/37/06/60/171370660.db2.gz BHOKXCBSAUAUJT-WDEREUQCSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000035663365 171371477 /nfs/dbraw/zinc/37/14/77/171371477.db2.gz LUAWBCJOSIIFID-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000662392179 412143131 /nfs/dbraw/zinc/14/31/31/412143131.db2.gz PWPOEZTZLUUYBJ-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+](CC)CC1 ZINC000038098268 171393794 /nfs/dbraw/zinc/39/37/94/171393794.db2.gz PSVQBWZUMVWJLV-JQWIXIFHSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183377327 171393826 /nfs/dbraw/zinc/39/38/26/171393826.db2.gz BHOKXCBSAUAUJT-QWRGUYRKSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368104656 171394497 /nfs/dbraw/zinc/39/44/97/171394497.db2.gz IKQJXNCJNZKQOA-YFKTTZPYSA-N 2 0 239.363 0.428 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062972000 171394790 /nfs/dbraw/zinc/39/47/90/171394790.db2.gz AYRFDIJGXXTTEH-AXFHLTTASA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726677 171394975 /nfs/dbraw/zinc/39/49/75/171394975.db2.gz DBBJGEUQUUHWJV-UMNHJUIQSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+]C1(C(=O)NC2CC[NH2+]CC2)CC2(CCC2)C1 ZINC000662389300 412139567 /nfs/dbraw/zinc/13/95/67/412139567.db2.gz AUUVTVBJARBTRP-UHFFFAOYSA-N 2 0 237.347 0.516 20 0 BCADRP OCC[C@@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000662299928 412086917 /nfs/dbraw/zinc/08/69/17/412086917.db2.gz ZWFFPWQJCUARKF-ZDUSSCGKSA-N 2 0 241.379 0.129 20 0 BCADRP C[C@H]1CCC[N@H+](CCOCC[NH3+])[C@H]1CCO ZINC000662302930 412088365 /nfs/dbraw/zinc/08/83/65/412088365.db2.gz QMLUUTBUZRWVHJ-RYUDHWBXSA-N 2 0 230.352 0.445 20 0 BCADRP C[C@@]12COC[C@]1(C)C[N@@H+](CCOCC[NH3+])C2 ZINC000662301604 412089794 /nfs/dbraw/zinc/08/97/94/412089794.db2.gz FJCPNKDVDGGTMI-TXEJJXNPSA-N 2 0 228.336 0.320 20 0 BCADRP [NH3+]CCOCCN1c2ccccc2CC[C@@H]1C[NH3+] ZINC000662306063 412090227 /nfs/dbraw/zinc/09/02/27/412090227.db2.gz WRVNBEBNRQUORM-CYBMUJFWSA-N 2 0 249.358 0.742 20 0 BCADRP [NH3+]CC12CC(C1)C[N@@H+]2CC[C@H]1CC[NH2+]C1 ZINC000662306249 412090518 /nfs/dbraw/zinc/09/05/18/412090518.db2.gz PPVTUFQRXJGJPB-VOMCLLRMSA-N 3 0 209.337 0.409 20 0 BCADRP O=C(CC[N@@H+]1CC[C@H]2C[C@H]2C1)N1CC[NH2+]CC1 ZINC000662314215 412095943 /nfs/dbraw/zinc/09/59/43/412095943.db2.gz BVKMGOZDTZADIH-RYUDHWBXSA-N 2 0 237.347 0.150 20 0 BCADRP C[C@@H]1CCN(C[C@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000662313541 412096006 /nfs/dbraw/zinc/09/60/06/412096006.db2.gz UYMRNBHJCJRRMD-WOPDTQHZSA-N 2 0 211.353 0.655 20 0 BCADRP O=C(CC[N@@H+]1CC[C@@H]2C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000662314217 412096863 /nfs/dbraw/zinc/09/68/63/412096863.db2.gz BVKMGOZDTZADIH-VXGBXAGGSA-N 2 0 237.347 0.150 20 0 BCADRP CC(C)NC(=O)[C@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000662316674 412098079 /nfs/dbraw/zinc/09/80/79/412098079.db2.gz LUVPSGFEQKDTNP-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@@H](O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323364 412100291 /nfs/dbraw/zinc/10/02/91/412100291.db2.gz YXIWHADUBTWBEW-OLZOCXBDSA-N 2 0 244.379 0.800 20 0 BCADRP C[C@H](O)CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322947 412101064 /nfs/dbraw/zinc/10/10/64/412101064.db2.gz JWOJEBBNQJSAPO-QWHCGFSZSA-N 2 0 244.379 0.800 20 0 BCADRP C[C@@H](CO)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326023 412103246 /nfs/dbraw/zinc/10/32/46/412103246.db2.gz TXWYNAVTOWDUGV-CHWSQXEVSA-N 2 0 244.379 0.657 20 0 BCADRP CN(CC1CC[NH2+]CC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662327763 412104336 /nfs/dbraw/zinc/10/43/36/412104336.db2.gz MDIGTPZODJCNRH-VIFPVBQESA-N 2 0 239.285 0.807 20 0 BCADRP CN(CC1CC[NH2+]CC1)[C@H](C[NH3+])C(F)(F)F ZINC000662327754 412104524 /nfs/dbraw/zinc/10/45/24/412104524.db2.gz MDIGTPZODJCNRH-SECBINFHSA-N 2 0 239.285 0.807 20 0 BCADRP CN(CC[C@H]1CC[NH2+]C1)[C@H](C[NH3+])C(F)(F)F ZINC000662331717 412106140 /nfs/dbraw/zinc/10/61/40/412106140.db2.gz QAVGFCHFFKNLRW-RKDXNWHRSA-N 2 0 239.285 0.807 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000662384778 412135858 /nfs/dbraw/zinc/13/58/58/412135858.db2.gz WQDPKMNOQQONLI-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCCC[N@H+](C)CCOC ZINC000662383376 412136148 /nfs/dbraw/zinc/13/61/48/412136148.db2.gz YXFJEZDDNAERGK-LLVKDONJSA-N 2 0 245.367 0.069 20 0 BCADRP COC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)C1CCOCC1 ZINC000665236315 412175902 /nfs/dbraw/zinc/17/59/02/412175902.db2.gz KFUDDIMIISHEPU-GWCFXTLKSA-N 2 0 242.363 0.626 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000662450733 412179447 /nfs/dbraw/zinc/17/94/47/412179447.db2.gz DNKIBMIVLAYNLI-GFCCVEGCSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371232264 171477645 /nfs/dbraw/zinc/47/76/45/171477645.db2.gz RLXZMFGTWBLDPX-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CC[NH2+]C1 ZINC000665241465 412184406 /nfs/dbraw/zinc/18/44/06/412184406.db2.gz NDLIVJIMNJPYGU-PWSUYJOCSA-N 2 0 234.347 0.861 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)NCC[NH2+]C(C)(C)C ZINC000662468446 412184622 /nfs/dbraw/zinc/18/46/22/412184622.db2.gz VWBHLRQDUFLLKO-JTQLQIEISA-N 2 0 245.367 0.243 20 0 BCADRP C[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C2)[C@@H]2CCC[C@@H]21 ZINC000665241609 412185592 /nfs/dbraw/zinc/18/55/92/412185592.db2.gz STSMDFUDXQTYRF-CYDGBPFRSA-N 2 0 223.364 0.811 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000662474100 412187523 /nfs/dbraw/zinc/18/75/23/412187523.db2.gz UCAQWJLEAIWFEK-GRYCIOLGSA-N 2 0 241.379 0.783 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000662474101 412187851 /nfs/dbraw/zinc/18/78/51/412187851.db2.gz UCAQWJLEAIWFEK-SDDRHHMPSA-N 2 0 241.379 0.783 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000662474231 412188587 /nfs/dbraw/zinc/18/85/87/412188587.db2.gz VUPQQLQWZMNQFA-OUAUKWLOSA-N 2 0 227.352 0.393 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NCC1([NH3+])CCCC1 ZINC000665246409 412191324 /nfs/dbraw/zinc/19/13/24/412191324.db2.gz FFCWRZVKRHZPIV-GHMZBOCLSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@H](NCC1([NH3+])CCCC1)[C@H]1CCC[NH2+]1 ZINC000665247104 412193615 /nfs/dbraw/zinc/19/36/15/412193615.db2.gz VRBYCMFGQFKDEB-WDEREUQCSA-N 2 0 211.353 0.988 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000662516134 412201549 /nfs/dbraw/zinc/20/15/49/412201549.db2.gz ZURKVWYWHXMSFR-GRYCIOLGSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000662515346 412201605 /nfs/dbraw/zinc/20/16/05/412201605.db2.gz MSCYQTZDPURFSA-OUAUKWLOSA-N 2 0 225.336 0.337 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000662522741 412203970 /nfs/dbraw/zinc/20/39/70/412203970.db2.gz MVJNYJDDSXDTEU-SDDRHHMPSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000662524317 412204229 /nfs/dbraw/zinc/20/42/29/412204229.db2.gz LBYADDGLWBJFDO-JTQLQIEISA-N 2 0 245.367 0.195 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000662525393 412204403 /nfs/dbraw/zinc/20/44/03/412204403.db2.gz SAFNZBIRVJJDQH-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000662526199 412204907 /nfs/dbraw/zinc/20/49/07/412204907.db2.gz VBJXAFRSTIAQKK-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000662526897 412205839 /nfs/dbraw/zinc/20/58/39/412205839.db2.gz MAEPALXKWUXFLO-LLVKDONJSA-N 2 0 227.352 0.441 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000662526898 412205979 /nfs/dbraw/zinc/20/59/79/412205979.db2.gz MAEPALXKWUXFLO-NSHDSACASA-N 2 0 227.352 0.441 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000662527810 412206132 /nfs/dbraw/zinc/20/61/32/412206132.db2.gz ZRSHLTKFBPWTCO-RKDXNWHRSA-N 2 0 201.314 0.051 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000662533525 412207437 /nfs/dbraw/zinc/20/74/37/412207437.db2.gz RFNJDSXNEJDBMZ-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000662542156 412210074 /nfs/dbraw/zinc/21/00/74/412210074.db2.gz KJEGPRGBAMKOSA-MNOVXSKESA-N 2 0 227.352 0.395 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000662540392 412210558 /nfs/dbraw/zinc/21/05/58/412210558.db2.gz WBFCWKRCTLOPQU-MNOVXSKESA-N 2 0 239.363 0.726 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000662559472 412211024 /nfs/dbraw/zinc/21/10/24/412211024.db2.gz DHBYVFDWRVMKOB-KOLCDFICSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000662550349 412212933 /nfs/dbraw/zinc/21/29/33/412212933.db2.gz BNJWBYGKBWLUPH-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000662393974 412145129 /nfs/dbraw/zinc/14/51/29/412145129.db2.gz ZGZDBISOMQOYIR-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000662402787 412147330 /nfs/dbraw/zinc/14/73/30/412147330.db2.gz NOFCJAWJBCGMFC-VHSXEESVSA-N 2 0 213.325 0.243 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662397323 412147467 /nfs/dbraw/zinc/14/74/67/412147467.db2.gz CRDOVOOBGXZXCX-ZDUSSCGKSA-N 2 0 247.342 0.947 20 0 BCADRP CC[NH2+]CCCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662399074 412147614 /nfs/dbraw/zinc/14/76/14/412147614.db2.gz GAEUJRYZMJSYGY-UHFFFAOYSA-N 2 0 239.363 0.764 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000662398404 412147813 /nfs/dbraw/zinc/14/78/13/412147813.db2.gz RCUZIPOGHPSCJG-OUAUKWLOSA-N 2 0 227.352 0.713 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N(C2CC2)C2CC[NH2+]CC2)C1 ZINC000662397810 412147815 /nfs/dbraw/zinc/14/78/15/412147815.db2.gz MSQMEMCUKGTTDG-MGCOHNPYSA-N 2 0 237.347 0.467 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000662398406 412147826 /nfs/dbraw/zinc/14/78/26/412147826.db2.gz RCUZIPOGHPSCJG-VWYCJHECSA-N 2 0 227.352 0.713 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)CC1([NH3+])CC1 ZINC000662401991 412148914 /nfs/dbraw/zinc/14/89/14/412148914.db2.gz DMNDGKYRVWPVFQ-VIFPVBQESA-N 2 0 211.309 0.208 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000662404206 412149946 /nfs/dbraw/zinc/14/99/46/412149946.db2.gz QVHVITVVPKBLQF-WOPDTQHZSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662403904 412150006 /nfs/dbraw/zinc/15/00/06/412150006.db2.gz ZOMSJDOAKDOCJT-OPRDCNLKSA-N 2 0 211.309 0.064 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000662403460 412150371 /nfs/dbraw/zinc/15/03/71/412150371.db2.gz DCERGZXRUNUSKI-WCQYABFASA-N 2 0 245.326 0.781 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000662402678 412150528 /nfs/dbraw/zinc/15/05/28/412150528.db2.gz NHEBGOOQISNUPX-MNOVXSKESA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662403179 412150597 /nfs/dbraw/zinc/15/05/97/412150597.db2.gz ATNROOSFXFYXQM-VIFPVBQESA-N 2 0 223.320 0.221 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662404335 412151102 /nfs/dbraw/zinc/15/11/02/412151102.db2.gz GDMBQHKRHCTBAZ-IZINZVLLSA-N 2 0 211.309 0.110 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C[NH2+]C(C)C)C1 ZINC000662406197 412151595 /nfs/dbraw/zinc/15/15/95/412151595.db2.gz DCEVQOCWQSPTLI-SNVBAGLBSA-N 2 0 213.325 0.195 20 0 BCADRP CC[NH2+]CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662408897 412154495 /nfs/dbraw/zinc/15/44/95/412154495.db2.gz CRQQTQHKGXMXPL-UHFFFAOYSA-N 2 0 225.336 0.387 20 0 BCADRP CC(C)([NH3+])c1cc(C(=O)NC(C)(C)C[NH3+])on1 ZINC000662411722 412155425 /nfs/dbraw/zinc/15/54/25/412155425.db2.gz XCRUJRRDNRZQLZ-UHFFFAOYSA-N 2 0 240.307 0.336 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000662414219 412156470 /nfs/dbraw/zinc/15/64/70/412156470.db2.gz WRTFZVFPBNBYGI-NWDGAFQWSA-N 2 0 235.331 0.801 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000662413882 412157291 /nfs/dbraw/zinc/15/72/91/412157291.db2.gz RWOAWDAHQOHCJH-LBPRGKRZSA-N 2 0 235.331 0.801 20 0 BCADRP [NH3+][C@@H](CNC(=O)CC1([NH3+])CC1)c1ccccc1 ZINC000662413175 412157601 /nfs/dbraw/zinc/15/76/01/412157601.db2.gz MEDLCCILBHNUTI-NSHDSACASA-N 2 0 233.315 0.684 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC([NH2+]C)CC1 ZINC000662416467 412158535 /nfs/dbraw/zinc/15/85/35/412158535.db2.gz YONOYBSUWHBJTE-SNVBAGLBSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCC2(C)C)CC[C@@H]1[NH3+] ZINC000662416575 412158550 /nfs/dbraw/zinc/15/85/50/412158550.db2.gz DBXOQAXETPLTNS-VWYCJHECSA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662420801 412161038 /nfs/dbraw/zinc/16/10/38/412161038.db2.gz IRDNKNMAVHALKH-NAKRPEOUSA-N 2 0 225.336 0.357 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662420822 412161069 /nfs/dbraw/zinc/16/10/69/412161069.db2.gz JNDMZGWCKIZONR-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000665272577 412214102 /nfs/dbraw/zinc/21/41/02/412214102.db2.gz HSHRPIRMVKWEPU-OUAUKWLOSA-N 2 0 225.336 0.243 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@@H](CC)[NH2+]C)CC1 ZINC000662428375 412167542 /nfs/dbraw/zinc/16/75/42/412167542.db2.gz CIUALLZMDZMUOD-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])COC(C)C ZINC000662430029 412168209 /nfs/dbraw/zinc/16/82/09/412168209.db2.gz SZTXXXSWKLEDMI-MNOVXSKESA-N 2 0 245.367 0.372 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C[NH2+]C(C)C ZINC000662430463 412168357 /nfs/dbraw/zinc/16/83/57/412168357.db2.gz XWIDUHSYRVYTNZ-JTQLQIEISA-N 2 0 215.341 0.618 20 0 BCADRP COC[C@H](CC[NH2+][C@H]1CCC[C@H]1C[NH3+])OC ZINC000665235490 412173884 /nfs/dbraw/zinc/17/38/84/412173884.db2.gz WRGBCGHJGZMBEI-SRVKXCTJSA-N 2 0 230.352 0.755 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CO)C1CCC1 ZINC000665235519 412173942 /nfs/dbraw/zinc/17/39/42/412173942.db2.gz WYYUMESUWRYNRO-IQJOONFLSA-N 2 0 200.326 0.863 20 0 BCADRP COC[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[NH3+])OC ZINC000665234339 412174027 /nfs/dbraw/zinc/17/40/27/412174027.db2.gz BJIAHULTRKEDEZ-GARJFASQSA-N 2 0 216.325 0.507 20 0 BCADRP COC[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000665235405 412174520 /nfs/dbraw/zinc/17/45/20/412174520.db2.gz VVJDIMRLIKLVJK-HNGCFSAESA-N 2 0 242.363 0.911 20 0 BCADRP COC[C@H](CC[NH2+][C@H]1CCC[C@@H]1C[NH3+])OC ZINC000665235491 412174882 /nfs/dbraw/zinc/17/48/82/412174882.db2.gz WRGBCGHJGZMBEI-WOPDTQHZSA-N 2 0 230.352 0.755 20 0 BCADRP CC(C)[C@@H](C(=O)NCC1([NH3+])CCCC1)[NH+](C)C ZINC000662649824 412255988 /nfs/dbraw/zinc/25/59/88/412255988.db2.gz LKPWVQICLCYKCK-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP C[C@]1(C(=O)NCC2([NH3+])CCCC2)CC[NH2+]C1 ZINC000662649955 412256166 /nfs/dbraw/zinc/25/61/66/412256166.db2.gz TYDRVXYJPLNVMV-NSHDSACASA-N 2 0 225.336 0.374 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)NCC1([NH3+])CCCC1 ZINC000662650243 412256434 /nfs/dbraw/zinc/25/64/34/412256434.db2.gz XOZYZIAUKCDWPI-ZETCQYMHSA-N 2 0 235.278 0.357 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC1([NH3+])CCCC1 ZINC000662650253 412256455 /nfs/dbraw/zinc/25/64/55/412256455.db2.gz XVOYNYZESMGNQP-UHFFFAOYSA-N 2 0 227.352 0.762 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC1([NH3+])CCCC1 ZINC000662648522 412256768 /nfs/dbraw/zinc/25/67/68/412256768.db2.gz IAWUTBCLJNNVRG-DTWKUNHWSA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)[C@H](C(=O)NCC1([NH3+])CCCC1)[C@@H](C)[NH3+] ZINC000662649821 412256770 /nfs/dbraw/zinc/25/67/70/412256770.db2.gz SLVZNIBUBNYWRR-MNOVXSKESA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC1([NH3+])CCCC1 ZINC000662653843 412258983 /nfs/dbraw/zinc/25/89/83/412258983.db2.gz YBULCMUVDUOAEW-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662660798 412261393 /nfs/dbraw/zinc/26/13/93/412261393.db2.gz GZBAYFDFGHKCDM-MGCOHNPYSA-N 2 0 227.352 0.428 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000662671352 412265635 /nfs/dbraw/zinc/26/56/35/412265635.db2.gz NRMVLIFYEIJVEG-MGCOHNPYSA-N 2 0 237.347 0.467 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662674910 412267493 /nfs/dbraw/zinc/26/74/93/412267493.db2.gz GFJBDOQWBBSRSD-SQLBVSGCSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)[NH+](C)C ZINC000662693039 412267504 /nfs/dbraw/zinc/26/75/04/412267504.db2.gz NCEFQGRFSHUJHN-UWVGGRQHSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N2CC3CC2(C[NH3+])C3)CC[NH2+]1 ZINC000662681010 412268048 /nfs/dbraw/zinc/26/80/48/412268048.db2.gz ROPFWOMWYBJGBA-URAGZPLESA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC1([NH3+])CC1 ZINC000662679873 412268482 /nfs/dbraw/zinc/26/84/82/412268482.db2.gz DBLKLONNYLPVHO-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662680614 412268614 /nfs/dbraw/zinc/26/86/14/412268614.db2.gz KQULQEKMBRELDP-UHFFFAOYSA-N 2 0 211.309 0.064 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662679660 412268748 /nfs/dbraw/zinc/26/87/48/412268748.db2.gz SHGSHDNHEZNDNO-UHFFFAOYSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662680092 412268761 /nfs/dbraw/zinc/26/87/61/412268761.db2.gz FHGMUFSUHNAKMC-YLXHPXFOSA-N 2 0 237.347 0.324 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662679354 412268873 /nfs/dbraw/zinc/26/88/73/412268873.db2.gz MXLMQTPWNHXJPB-UHFFFAOYSA-N 2 0 225.336 0.278 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)C[C@H]1CCC[NH2+]C1 ZINC000662684675 412271172 /nfs/dbraw/zinc/27/11/72/412271172.db2.gz ZKWFCFPKSLLNIB-XSRFYTQQSA-N 2 0 237.347 0.326 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@@H](C)Cn1ccnc1 ZINC000662688906 412272022 /nfs/dbraw/zinc/27/20/22/412272022.db2.gz RAAIYWKRTWKMEF-LLVKDONJSA-N 2 0 238.335 0.633 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662693823 412272799 /nfs/dbraw/zinc/27/27/99/412272799.db2.gz YTCQOFUKHHDUAU-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662693817 412273428 /nfs/dbraw/zinc/27/34/28/412273428.db2.gz YTCQOFUKHHDUAU-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]1[NH2+]CCC1(C)C)C1CC1 ZINC000662696489 412274586 /nfs/dbraw/zinc/27/45/86/412274586.db2.gz LIJRRWDDEDUAHW-LLVKDONJSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000662700368 412275456 /nfs/dbraw/zinc/27/54/56/412275456.db2.gz HTWURHFKBPGQDK-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000662700369 412275735 /nfs/dbraw/zinc/27/57/35/412275735.db2.gz HTWURHFKBPGQDK-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000662703926 412276637 /nfs/dbraw/zinc/27/66/37/412276637.db2.gz WFTGHICWPNVIDQ-OPRDCNLKSA-N 2 0 223.320 0.077 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000662703786 412277024 /nfs/dbraw/zinc/27/70/24/412277024.db2.gz NGHHWWLQDHLRNO-ZYHUDNBSSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662713127 412280192 /nfs/dbraw/zinc/28/01/92/412280192.db2.gz UWSHWPSCPGOREM-GMTAPVOTSA-N 2 0 225.336 0.276 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662759828 412284830 /nfs/dbraw/zinc/28/48/30/412284830.db2.gz BQXZRJOKKHXQBI-SNVBAGLBSA-N 2 0 227.352 0.490 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C)C[NH3+] ZINC000662730702 412286406 /nfs/dbraw/zinc/28/64/06/412286406.db2.gz NBSVOBGZHGGDGT-DTWKUNHWSA-N 2 0 201.314 0.071 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)CC1([NH3+])CCC1 ZINC000662731019 412286558 /nfs/dbraw/zinc/28/65/58/412286558.db2.gz WKMYLBWGSRQHJW-SNVBAGLBSA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)CC[NH2+]C1CC1 ZINC000662731518 412286897 /nfs/dbraw/zinc/28/68/97/412286897.db2.gz FMZBKVJXPWWEIS-LLVKDONJSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000662731113 412287124 /nfs/dbraw/zinc/28/71/24/412287124.db2.gz YRHXHSLNBVPDEB-GARJFASQSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)CC1CC[NH2+]CC1 ZINC000662730700 412287171 /nfs/dbraw/zinc/28/71/71/412287171.db2.gz MZILKILPSBRXST-GFCCVEGCSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000662730917 412287208 /nfs/dbraw/zinc/28/72/08/412287208.db2.gz VDQOELBMVXLQOS-IJLUTSLNSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000662560551 412219332 /nfs/dbraw/zinc/21/93/32/412219332.db2.gz GFGLSPLFEUPCPN-ZJUUUORDSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662564735 412220050 /nfs/dbraw/zinc/22/00/50/412220050.db2.gz VKHJDGIIDSSIBW-AXFHLTTASA-N 2 0 227.352 0.748 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000662564734 412220389 /nfs/dbraw/zinc/22/03/89/412220389.db2.gz VKDBNJSJSFXUKU-ZJUUUORDSA-N 2 0 215.341 0.618 20 0 BCADRP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1CCOC1 ZINC000665277503 412220708 /nfs/dbraw/zinc/22/07/08/412220708.db2.gz CUCLWIPLPFRPKU-VOBJUBJWSA-N 2 0 210.321 0.753 20 0 BCADRP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1CCOC1 ZINC000665277502 412221121 /nfs/dbraw/zinc/22/11/21/412221121.db2.gz CUCLWIPLPFRPKU-UZEXVOJHSA-N 2 0 210.321 0.753 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])C(F)F ZINC000662566362 412221541 /nfs/dbraw/zinc/22/15/41/412221541.db2.gz MPYWZZIKPJKULY-GJMOJQLCSA-N 2 0 235.278 0.213 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277951 412221604 /nfs/dbraw/zinc/22/16/04/412221604.db2.gz QGXBRQKYLRCHPI-VSUDMTKCSA-N 2 0 235.375 0.811 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H](C)CCC[NH3+] ZINC000662567579 412222237 /nfs/dbraw/zinc/22/22/37/412222237.db2.gz GPMBIQKBFNUWQH-VIFPVBQESA-N 2 0 201.314 0.228 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000662568248 412223003 /nfs/dbraw/zinc/22/30/03/412223003.db2.gz PTNSZRKDUPRDHX-AXFHLTTASA-N 2 0 229.368 0.849 20 0 BCADRP C[C@H](NCC12CC(C1)C[NH2+]2)c1c[nH+]ccc1N ZINC000665279712 412223166 /nfs/dbraw/zinc/22/31/66/412223166.db2.gz KIELKXOCJDGTAD-JBLZRFIASA-N 2 0 232.331 0.897 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000662570007 412223916 /nfs/dbraw/zinc/22/39/16/412223916.db2.gz FFWFRCUZXWLUDK-UWVGGRQHSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H](C)CCC[NH3+] ZINC000662569076 412224065 /nfs/dbraw/zinc/22/40/65/412224065.db2.gz WLZNJUFVODUKLF-RKDXNWHRSA-N 2 0 201.314 0.228 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000662571456 412224154 /nfs/dbraw/zinc/22/41/54/412224154.db2.gz PBMUJTAKEDQISK-NXEZZACHSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H]1COCC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665280338 412224211 /nfs/dbraw/zinc/22/42/11/412224211.db2.gz ZGLGVODRSYBOAJ-UZEXVOJHSA-N 2 0 210.321 0.753 20 0 BCADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000665280628 412224368 /nfs/dbraw/zinc/22/43/68/412224368.db2.gz HWHAXPVODVAHSA-WDEREUQCSA-N 2 0 248.392 0.527 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000662572723 412224893 /nfs/dbraw/zinc/22/48/93/412224893.db2.gz CMODFMRULIOMJA-WDEREUQCSA-N 2 0 227.352 0.428 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000662571792 412224949 /nfs/dbraw/zinc/22/49/49/412224949.db2.gz KMOVVUQVOZUKGH-WDEREUQCSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000662572641 412225166 /nfs/dbraw/zinc/22/51/66/412225166.db2.gz ZZAIZPNIMHMVDD-UWVGGRQHSA-N 2 0 227.352 0.489 20 0 BCADRP C[C@H]1COCC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665280339 412225198 /nfs/dbraw/zinc/22/51/98/412225198.db2.gz ZGLGVODRSYBOAJ-VOBJUBJWSA-N 2 0 210.321 0.753 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@@H]1C[NH3+] ZINC000662574542 412225978 /nfs/dbraw/zinc/22/59/78/412225978.db2.gz ORTLJNBCDXDLAW-KXNHARMFSA-N 2 0 239.363 0.557 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000662577622 412227079 /nfs/dbraw/zinc/22/70/79/412227079.db2.gz AQSPIBNTCDJGEE-OPRDCNLKSA-N 2 0 213.325 0.241 20 0 BCADRP [NH3+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000662582733 412229183 /nfs/dbraw/zinc/22/91/83/412229183.db2.gz SQNIDDZFXQLLLT-ZJUUUORDSA-N 2 0 225.336 0.359 20 0 BCADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000665283490 412229425 /nfs/dbraw/zinc/22/94/25/412229425.db2.gz OTHVHKQPKDQQPG-FRRDWIJNSA-N 2 0 243.395 0.716 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662595258 412233538 /nfs/dbraw/zinc/23/35/38/412233538.db2.gz ZFTHYVAMAPJXOR-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662592165 412234118 /nfs/dbraw/zinc/23/41/18/412234118.db2.gz XOBYIEJNVOTVPA-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662602044 412235317 /nfs/dbraw/zinc/23/53/17/412235317.db2.gz MFUIWFJMNXXFEW-BDAKNGLRSA-N 2 0 213.325 0.310 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662604503 412235853 /nfs/dbraw/zinc/23/58/53/412235853.db2.gz FTKYRNAJSDEFSY-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662604505 412235978 /nfs/dbraw/zinc/23/59/78/412235978.db2.gz FTKYRNAJSDEFSY-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[NH2+]CCC(=O)N(C)CC(C)(C)[NH3+] ZINC000662604090 412236759 /nfs/dbraw/zinc/23/67/59/412236759.db2.gz AUOLQKBSPOGOLA-UHFFFAOYSA-N 2 0 215.341 0.570 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662606096 412237414 /nfs/dbraw/zinc/23/74/14/412237414.db2.gz YNPKOFZDAJGENO-MRVPVSSYSA-N 2 0 201.314 0.038 20 0 BCADRP CC1CC([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000665292631 412237538 /nfs/dbraw/zinc/23/75/38/412237538.db2.gz FYWHASRQNQTNJB-UHFFFAOYSA-N 2 0 222.292 0.529 20 0 BCADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291566 412238109 /nfs/dbraw/zinc/23/81/09/412238109.db2.gz FWYJTOQRNQYORJ-HTQZYQBOSA-N 2 0 240.307 0.154 20 0 BCADRP C[NH2+]C[C@H](C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000665296667 412242769 /nfs/dbraw/zinc/24/27/69/412242769.db2.gz WCJGXVKCNCGIJQ-GARJFASQSA-N 2 0 211.353 0.809 20 0 BCADRP C[NH2+]C[C@H](C)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000665296768 412244136 /nfs/dbraw/zinc/24/41/36/412244136.db2.gz XOFVKOIWYWJPSH-NHCYSSNCSA-N 2 0 211.353 0.667 20 0 BCADRP C[NH2+]C[C@H](C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000665296767 412245370 /nfs/dbraw/zinc/24/53/70/412245370.db2.gz XOFVKOIWYWJPSH-JFGNBEQYSA-N 2 0 211.353 0.667 20 0 BCADRP C[C@H](CCNC(=O)CCCC[NH3+])[NH+](C)C ZINC000662632758 412247713 /nfs/dbraw/zinc/24/77/13/412247713.db2.gz GYVRXNKHSSDDKR-SNVBAGLBSA-N 2 0 215.341 0.572 20 0 BCADRP FCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665299310 412248150 /nfs/dbraw/zinc/24/81/50/412248150.db2.gz KEUFVIGBCTUSKE-ZACCUICWSA-N 2 0 216.300 0.845 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC[C@H](C)[NH+](C)C ZINC000662632913 412249117 /nfs/dbraw/zinc/24/91/17/412249117.db2.gz HOKXSVARCHDQQV-ZJUUUORDSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@@H](CCNC(=O)C[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000662632351 412250325 /nfs/dbraw/zinc/25/03/25/412250325.db2.gz CKNNHRVXWWEBFL-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]CCC(=O)NCC[C@@H](C)[NH+](C)C ZINC000662633026 412251177 /nfs/dbraw/zinc/25/11/77/412251177.db2.gz IKVJJPANFVPDIU-SECBINFHSA-N 2 0 201.314 0.052 20 0 BCADRP C[C@@H](CCNC(=O)CC[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000662636059 412252650 /nfs/dbraw/zinc/25/26/50/412252650.db2.gz XRIBWPFJFDWJQA-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H](CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+])[NH+](C)C ZINC000662636443 412252772 /nfs/dbraw/zinc/25/27/72/412252772.db2.gz YOVPXCSGSOEYCT-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CC1([NH3+])CC1 ZINC000662794180 412305468 /nfs/dbraw/zinc/30/54/68/412305468.db2.gz PKZLTKSSINAYPB-GHMZBOCLSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662811710 412307188 /nfs/dbraw/zinc/30/71/88/412307188.db2.gz ATJJFZPWVJNSFM-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662811707 412307270 /nfs/dbraw/zinc/30/72/70/412307270.db2.gz ATJJFZPWVJNSFM-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000662815282 412308612 /nfs/dbraw/zinc/30/86/12/412308612.db2.gz RDCLSVXRVAXSOG-DTWKUNHWSA-N 2 0 215.341 0.474 20 0 BCADRP CN(CC[NH3+])C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662813551 412308893 /nfs/dbraw/zinc/30/88/93/412308893.db2.gz KMLPSSACFOFCTH-UHFFFAOYSA-N 2 0 211.309 0.065 20 0 BCADRP C[C@@H]1CCN(C(=O)CC2([NH3+])CC2)C[C@H]1C[NH3+] ZINC000662814921 412308918 /nfs/dbraw/zinc/30/89/18/412308918.db2.gz RJRUJVMSPAIBTK-NXEZZACHSA-N 2 0 225.336 0.311 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)[C@H]2C[C@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000662817560 412309575 /nfs/dbraw/zinc/30/95/75/412309575.db2.gz JILMILMGRUMXRS-CSYMLDBXSA-N 2 0 239.363 0.556 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC000662816882 412309600 /nfs/dbraw/zinc/30/96/00/412309600.db2.gz QCZIWTZJWGIIFL-SRVKXCTJSA-N 2 0 245.326 0.640 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000662820797 412310629 /nfs/dbraw/zinc/31/06/29/412310629.db2.gz CSSRNROUAVZORT-LBPRGKRZSA-N 2 0 241.379 0.927 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[C@H]([NH3+])C1)C2 ZINC000662828363 412313690 /nfs/dbraw/zinc/31/36/90/412313690.db2.gz IMDXXYAJFWUHDI-ZPFDUUQYSA-N 2 0 237.347 0.311 20 0 BCADRP [NH3+]CC1(CCNC(=O)CC2([NH3+])CC2)CC1 ZINC000662829107 412314266 /nfs/dbraw/zinc/31/42/66/412314266.db2.gz KIWIKVRADRNDGD-UHFFFAOYSA-N 2 0 211.309 0.113 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)CC1([NH3+])CC1 ZINC000662828652 412314405 /nfs/dbraw/zinc/31/44/05/412314405.db2.gz HBYOIVIUQKSSGG-UHFFFAOYSA-N 2 0 247.342 0.904 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000662834896 412314982 /nfs/dbraw/zinc/31/49/82/412314982.db2.gz XUQBSERSXAXWFV-UTLUCORTSA-N 2 0 213.325 0.323 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1CCCC[NH2+]1 ZINC000662842976 412318796 /nfs/dbraw/zinc/31/87/96/412318796.db2.gz OAXUQJKZOHGGAG-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+]CC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662846071 412319700 /nfs/dbraw/zinc/31/97/00/412319700.db2.gz NQKNZADWYOXMTH-LLVKDONJSA-N 2 0 225.336 0.183 20 0 BCADRP CC[C@]1(C(=O)N(C)CC(C)(C)[NH3+])CCC[NH2+]1 ZINC000662844905 412320095 /nfs/dbraw/zinc/32/00/95/412320095.db2.gz ICBWPZUYAHDWEW-GFCCVEGCSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H](C(=O)N(C)CC(C)(C)[NH3+])[NH+](C)C ZINC000662845115 412320200 /nfs/dbraw/zinc/32/02/00/412320200.db2.gz KQYRZLMRCFQBNX-QMMMGPOBSA-N 2 0 201.314 0.132 20 0 BCADRP C[C@@H](CCNC(=O)[C@@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000662857662 412326875 /nfs/dbraw/zinc/32/68/75/412326875.db2.gz BZNCZPAMRYZBDK-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC000662857444 412327330 /nfs/dbraw/zinc/32/73/30/412327330.db2.gz AWLRUFBIOJGVHU-VWYCJHECSA-N 2 0 229.368 0.816 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+](CC)CC ZINC000353018856 171682149 /nfs/dbraw/zinc/68/21/49/171682149.db2.gz AFPYJRQLXAGGQZ-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663001683 412367041 /nfs/dbraw/zinc/36/70/41/412367041.db2.gz XPNNJAIVJOJJIL-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP CC[C@@]1(C(=O)N2CC3CC2(C[NH3+])C3)CCC[NH2+]1 ZINC000662876076 412333605 /nfs/dbraw/zinc/33/36/05/412333605.db2.gz PRHHUTVOGCAVLK-GDKBPFBDSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662876549 412333633 /nfs/dbraw/zinc/33/36/33/412333633.db2.gz ZWZASRFTZYNIQN-MSLYCWSTSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000662892522 412337250 /nfs/dbraw/zinc/33/72/50/412337250.db2.gz JLWQBDXDDXOERO-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000662894674 412337337 /nfs/dbraw/zinc/33/73/37/412337337.db2.gz BTVQGLLJPFFYJQ-ZNSHCXBVSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000662924021 412346703 /nfs/dbraw/zinc/34/67/03/412346703.db2.gz WVQPVSYFSSBWKB-MSLYCWSTSA-N 2 0 237.347 0.243 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000662925887 412346709 /nfs/dbraw/zinc/34/67/09/412346709.db2.gz DPLPCQTXZFKICM-IJLUTSLNSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000662924023 412347426 /nfs/dbraw/zinc/34/74/26/412347426.db2.gz WVQPVSYFSSBWKB-YLXHPXFOSA-N 2 0 237.347 0.243 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000662927380 412347832 /nfs/dbraw/zinc/34/78/32/412347832.db2.gz XIKNOEXCCUDIBF-IJLUTSLNSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000662927389 412348009 /nfs/dbraw/zinc/34/80/09/412348009.db2.gz XTRFXAGKRQZTDR-PWSUYJOCSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000662944907 412350677 /nfs/dbraw/zinc/35/06/77/412350677.db2.gz ANPWGIZWFRQBHN-GWOFURMSSA-N 2 0 243.326 0.272 20 0 BCADRP CC[C@]1(C(=O)N(C)CC(C)(C)C[NH3+])CC[NH2+]C1 ZINC000368565755 171710170 /nfs/dbraw/zinc/71/01/70/171710170.db2.gz DBMKSMORQPXUNO-ZDUSSCGKSA-N 2 0 241.379 0.819 20 0 BCADRP CC[C@]1(C(=O)NCC[C@@H](C)[NH3+])CC[NH2+]C1 ZINC000309518933 171711227 /nfs/dbraw/zinc/71/12/27/171711227.db2.gz ZNQIGIUUXRHKNG-KOLCDFICSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@]1(C(=O)NCC[C@H](C)[NH3+])CC[NH2+]C1 ZINC000309518935 171711393 /nfs/dbraw/zinc/71/13/93/171711393.db2.gz ZNQIGIUUXRHKNG-ONGXEEELSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CCC[NH2+]1 ZINC000248879178 171711459 /nfs/dbraw/zinc/71/14/59/171711459.db2.gz RSHITAPHVNBHLR-DMDPSCGWSA-N 2 0 239.363 0.775 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]C1 ZINC000364199903 171711768 /nfs/dbraw/zinc/71/17/68/171711768.db2.gz FBBDVVJQTLANIP-GVXVVHGQSA-N 2 0 239.363 0.490 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000662954770 412353468 /nfs/dbraw/zinc/35/34/68/412353468.db2.gz ZIOKOFRBQPXZLC-PWSUYJOCSA-N 2 0 235.331 0.453 20 0 BCADRP C[C@@]1(NC(=O)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000663005617 412367753 /nfs/dbraw/zinc/36/77/53/412367753.db2.gz YLHGDYYLNNGCDO-GFCCVEGCSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000662964383 412356539 /nfs/dbraw/zinc/35/65/39/412356539.db2.gz AHBXGSOOPILMNT-UWVGGRQHSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC000662964523 412356602 /nfs/dbraw/zinc/35/66/02/412356602.db2.gz FXAJMPOZXMEYAE-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](C)C[NH2+]C ZINC000662966683 412358677 /nfs/dbraw/zinc/35/86/77/412358677.db2.gz UPMFZMJLTLRDBH-HLTSFMKQSA-N 2 0 201.314 0.084 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000662967144 412359043 /nfs/dbraw/zinc/35/90/43/412359043.db2.gz FSMQMGZNAVTDIK-VHSXEESVSA-N 2 0 227.352 0.489 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000662747480 412289615 /nfs/dbraw/zinc/28/96/15/412289615.db2.gz ZAECHNOSKVOILM-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H](NC(=O)CC1([NH3+])CC1)C(C)(C)C[NH+](C)C ZINC000662744833 412290090 /nfs/dbraw/zinc/29/00/90/412290090.db2.gz ICTIVENFBUUDRP-SNVBAGLBSA-N 2 0 241.379 0.960 20 0 BCADRP CN(C)c1cc(NC(=O)[C@H]2C[C@H]([NH3+])C2)ccn1 ZINC000662750581 412290994 /nfs/dbraw/zinc/29/09/94/412290994.db2.gz OEOOMDZDJXFFGS-KYZUINATSA-N 2 0 234.303 0.823 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000662756035 412291654 /nfs/dbraw/zinc/29/16/54/412291654.db2.gz FMLJVTNUXOZILC-QXEWZRGKSA-N 2 0 223.320 0.077 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662763943 412294646 /nfs/dbraw/zinc/29/46/46/412294646.db2.gz KRXZEVGQDZPXBA-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000662766682 412295653 /nfs/dbraw/zinc/29/56/53/412295653.db2.gz MAGNDPAIIVVGDS-LLVKDONJSA-N 2 0 237.347 0.410 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000662767313 412296128 /nfs/dbraw/zinc/29/61/28/412296128.db2.gz ULMLNXJKZMLHMW-LLVKDONJSA-N 2 0 223.320 0.080 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662768394 412296368 /nfs/dbraw/zinc/29/63/68/412296368.db2.gz CDLJRLIWVNKFBR-MXWKQRLJSA-N 2 0 239.363 0.489 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000662770349 412296663 /nfs/dbraw/zinc/29/66/63/412296663.db2.gz UOPPPELRHFAEOF-QWRGUYRKSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662773903 412297980 /nfs/dbraw/zinc/29/79/80/412297980.db2.gz WIQUYGNGGRZQGU-VWYCJHECSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662773196 412298025 /nfs/dbraw/zinc/29/80/25/412298025.db2.gz HRDMPWMCMTUTPY-GARJFASQSA-N 2 0 239.363 0.631 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000662773597 412298156 /nfs/dbraw/zinc/29/81/56/412298156.db2.gz VOXJGNYTKIFBKT-UWVGGRQHSA-N 2 0 223.320 0.078 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2[NH2+]CCC2(C)C)CC[NH2+]1 ZINC000662774706 412298210 /nfs/dbraw/zinc/29/82/10/412298210.db2.gz QXJTYAMJFYBFIA-VWYCJHECSA-N 2 0 239.363 0.631 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCNc1cnccn1 ZINC000422883178 412298890 /nfs/dbraw/zinc/29/88/90/412298890.db2.gz BUAFYRIKIQZVES-NWDGAFQWSA-N 2 0 249.362 0.996 20 0 BCADRP CC[C@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000662776495 412298989 /nfs/dbraw/zinc/29/89/89/412298989.db2.gz XNKFJZFIBABXPU-XWLWVQCSSA-N 2 0 225.336 0.310 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000662782358 412299665 /nfs/dbraw/zinc/29/96/65/412299665.db2.gz ZAFKEQUJNHZOAV-XFWSIPNHSA-N 2 0 213.325 0.097 20 0 BCADRP C[NH+](C)CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662779424 412299725 /nfs/dbraw/zinc/29/97/25/412299725.db2.gz LUGOLKMVYJWNOG-UHFFFAOYSA-N 2 0 225.336 0.339 20 0 BCADRP [NH3+]C1(CC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000662777815 412300026 /nfs/dbraw/zinc/30/00/26/412300026.db2.gz DIRQJDHRNAWZIF-VIFPVBQESA-N 2 0 223.320 0.126 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1([NH2+]C2CC2)CCC1 ZINC000662778010 412300087 /nfs/dbraw/zinc/30/00/87/412300087.db2.gz KPTWXSKBKKHMEI-ONGXEEELSA-N 2 0 237.347 0.609 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662778203 412300165 /nfs/dbraw/zinc/30/01/65/412300165.db2.gz FSGNGGCLRYCYCV-SECBINFHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000662999890 412366022 /nfs/dbraw/zinc/36/60/22/412366022.db2.gz CWHVKDUVLJZTTM-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000662781687 412300587 /nfs/dbraw/zinc/30/05/87/412300587.db2.gz ZBOUVYZIXHNSID-XYPYZODXSA-N 2 0 237.347 0.326 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000662781915 412300852 /nfs/dbraw/zinc/30/08/52/412300852.db2.gz WSLJHAGWMWRGKN-ZRUFSTJUSA-N 2 0 227.352 0.487 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662781560 412300901 /nfs/dbraw/zinc/30/09/01/412300901.db2.gz DCYOQSKLSHULOU-NSHDSACASA-N 2 0 247.342 0.799 20 0 BCADRP C[C@@H](NC(=O)[C@H]1[NH2+]CCC1(C)C)[C@H](C)[NH3+] ZINC000662785690 412301350 /nfs/dbraw/zinc/30/13/50/412301350.db2.gz WSUFREJMVFETAX-DJLDLDEBSA-N 2 0 213.325 0.226 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000662785384 412301831 /nfs/dbraw/zinc/30/18/31/412301831.db2.gz PAIBKKTUYYZVOS-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP COCCN(CC[NH+](C)C)C(=O)C[NH2+]C(C)C ZINC000662791259 412304067 /nfs/dbraw/zinc/30/40/67/412304067.db2.gz POUYBAOGPZYWGJ-UHFFFAOYSA-N 2 0 245.367 0.021 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CC1([NH3+])CC1 ZINC000662794181 412304740 /nfs/dbraw/zinc/30/47/40/412304740.db2.gz PKZLTKSSINAYPB-MNOVXSKESA-N 2 0 239.363 0.666 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663009547 412368776 /nfs/dbraw/zinc/36/87/76/412368776.db2.gz FCKSXYUTSVKOHG-NSHDSACASA-N 2 0 213.325 0.196 20 0 BCADRP C[C@@]1(NC(=O)[C@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000663012142 412369520 /nfs/dbraw/zinc/36/95/20/412369520.db2.gz UQMFOSSJLNLFBC-PSASIEDQSA-N 2 0 247.289 0.099 20 0 BCADRP C[C@@]1(NC(=O)CC[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000663011800 412369621 /nfs/dbraw/zinc/36/96/21/412369621.db2.gz SNLDXUCASWNPDH-CMPLNLGQSA-N 2 0 225.336 0.387 20 0 BCADRP C[C@]1(NC(=O)c2cccc3c2C[NH2+]C3)CC[NH2+]C1 ZINC000663013958 412370828 /nfs/dbraw/zinc/37/08/28/412370828.db2.gz HWEXVZIWFNNHQN-AWEZNQCLSA-N 2 0 245.326 0.772 20 0 BCADRP CCCN(C(=O)[C@H]([NH3+])CC)[C@H]1CC[NH2+]C1 ZINC000309787599 487623274 /nfs/dbraw/zinc/62/32/74/487623274.db2.gz OMIJXRMNDDUHLV-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP CN(C(=O)CN1CCC[C@@H](C[NH3+])C1)C1CC1 ZINC000049305747 172307797 /nfs/dbraw/zinc/30/77/97/172307797.db2.gz VIIUUFJYRJCPSL-JTQLQIEISA-N 2 0 225.336 0.278 20 0 BCADRP CN(C(=O)CN1CCCC[C@H]1CC[NH3+])C1CC1 ZINC000111380633 172308189 /nfs/dbraw/zinc/30/81/89/172308189.db2.gz CBMWJEHROACJLZ-LBPRGKRZSA-N 2 0 239.363 0.811 20 0 BCADRP CN(C(=O)C[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]CC1 ZINC000334663163 172314121 /nfs/dbraw/zinc/31/41/21/172314121.db2.gz AIEPNTIUELRACW-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP CN(C(=O)[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000336315578 172333688 /nfs/dbraw/zinc/33/36/88/172333688.db2.gz OXZVFWRCYPZEKT-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP CN(C)C(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335396314 172358299 /nfs/dbraw/zinc/35/82/99/172358299.db2.gz OLDKNSCAUOQKLO-TXEJJXNPSA-N 2 0 239.363 0.396 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C1CC[NH2+]CC1 ZINC000040807109 172394163 /nfs/dbraw/zinc/39/41/63/172394163.db2.gz JQZZVKQOKQCYTN-UHFFFAOYSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)c1c[nH+]ccc1N ZINC000127580589 172395520 /nfs/dbraw/zinc/39/55/20/172395520.db2.gz OKOWWHJQTJUCKQ-UHFFFAOYSA-N 2 0 236.319 0.734 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000375355097 172395846 /nfs/dbraw/zinc/39/58/46/172395846.db2.gz IMKQKXDBRMLRMN-DTWKUNHWSA-N 2 0 231.315 0.143 20 0 BCADRP C[NH+](C)CCCCNC(=O)C[C@H]1CCC[C@H]1[NH3+] ZINC000340127612 172428616 /nfs/dbraw/zinc/42/86/16/172428616.db2.gz WJRYEJJMPXXPMV-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)CC[NH3+])C1CCCCC1 ZINC000237135671 172520221 /nfs/dbraw/zinc/52/02/21/172520221.db2.gz QINYZPYBMLZKRJ-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364564721 172624591 /nfs/dbraw/zinc/62/45/91/172624591.db2.gz UYTCHALSSGCADP-GXFFZTMASA-N 2 0 239.363 0.429 20 0 BCADRP C[NH+]1CCC2(CCC[N@H+](CCO)C2)CC1 ZINC000367199428 173003556 /nfs/dbraw/zinc/00/35/56/173003556.db2.gz JWVWBQRTAJNDQZ-UHFFFAOYSA-N 2 0 212.337 0.787 20 0 BCADRP C[N@H+](CCC[NH3+])CCO[C@H]1CC1(F)F ZINC000662246873 487626254 /nfs/dbraw/zinc/62/62/54/487626254.db2.gz UOYGMZYFLDCGDJ-QMMMGPOBSA-N 2 0 208.252 0.691 20 0 BCADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@H](O)C[C@H]1CO ZINC000364201946 173007340 /nfs/dbraw/zinc/00/73/40/173007340.db2.gz GZLCGEHZIFITKI-RWMBFGLXSA-N 2 0 242.363 0.288 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062889904 173011443 /nfs/dbraw/zinc/01/14/43/173011443.db2.gz RDWCHNQNNTYNHE-LBPRGKRZSA-N 2 0 225.336 0.150 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000040458972 173011822 /nfs/dbraw/zinc/01/18/22/173011822.db2.gz ZGIDMSTVWKIZHE-SNVBAGLBSA-N 2 0 227.352 0.524 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000062853039 173013690 /nfs/dbraw/zinc/01/36/90/173013690.db2.gz LMSYTDMQWROIPN-CYBMUJFWSA-N 2 0 239.363 0.540 20 0 BCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000336595571 173014604 /nfs/dbraw/zinc/01/46/04/173014604.db2.gz XYXQKBYBSGSIQH-LLVKDONJSA-N 2 0 225.336 0.245 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042171182 173021125 /nfs/dbraw/zinc/02/11/25/173021125.db2.gz SADCWKMZYUOLLO-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH+](CCO)CCCO ZINC000305713809 173028515 /nfs/dbraw/zinc/02/85/15/173028515.db2.gz GIMGEIJGKFISJE-GFCCVEGCSA-N 2 0 230.352 0.147 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226394197 173030205 /nfs/dbraw/zinc/03/02/05/173030205.db2.gz ZSVCAHBWXVUQEP-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH3+])CCCC1 ZINC000226394149 173030525 /nfs/dbraw/zinc/03/05/25/173030525.db2.gz VTXMPHHIWUZMGO-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCO)CC[C@H]21 ZINC000227342756 173035963 /nfs/dbraw/zinc/03/59/63/173035963.db2.gz QBVUDGSVTGYKIO-VXGBXAGGSA-N 2 0 212.337 0.785 20 0 BCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C3C[NH2+]C3)CC[C@@H]21 ZINC000129082434 173036662 /nfs/dbraw/zinc/03/66/62/173036662.db2.gz OEALRTFTRUVKTM-PWSUYJOCSA-N 2 0 237.347 0.149 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C(C)(C)CC(N)=O ZINC000309544290 173053477 /nfs/dbraw/zinc/05/34/77/173053477.db2.gz GNKGSSWNCHGUMN-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CC[NH3+] ZINC000371262272 173059323 /nfs/dbraw/zinc/05/93/23/173059323.db2.gz JVWREWLLIIGHIJ-WDEREUQCSA-N 2 0 225.336 0.420 20 0 BCADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCSC2)CC1 ZINC000020128330 173079211 /nfs/dbraw/zinc/07/92/11/173079211.db2.gz JVDOKCCZOZILJQ-GFCCVEGCSA-N 2 0 243.420 0.719 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000336615060 173110406 /nfs/dbraw/zinc/11/04/06/173110406.db2.gz HTTBKSRNHJGQBJ-VXGBXAGGSA-N 2 0 239.363 0.491 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000062893823 173116044 /nfs/dbraw/zinc/11/60/44/173116044.db2.gz ZVAOLTWXVQJDRG-JQWIXIFHSA-N 2 0 225.336 0.054 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000037484884 173144771 /nfs/dbraw/zinc/14/47/71/173144771.db2.gz ZICKKKQUDXKDHB-GHMZBOCLSA-N 2 0 225.336 0.054 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000062855960 173145013 /nfs/dbraw/zinc/14/50/13/173145013.db2.gz GLLMLBMRASTLMW-YPMHNXCESA-N 2 0 239.363 0.444 20 0 BCADRP CN(CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCN(C)C1=O ZINC000336681356 173148938 /nfs/dbraw/zinc/14/89/38/173148938.db2.gz COFKZHIFLZTEGZ-RYUDHWBXSA-N 2 0 239.363 0.633 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]CCOCCO)[C@@H]2CCC[C@@H]21 ZINC000368609471 173152809 /nfs/dbraw/zinc/15/28/09/173152809.db2.gz YMXZYHZFCVVZSR-AVGNSLFASA-N 2 0 242.363 0.458 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]CCOCCO)[C@@H]2CCC[C@H]21 ZINC000368609473 173153576 /nfs/dbraw/zinc/15/35/76/173153576.db2.gz YMXZYHZFCVVZSR-RWMBFGLXSA-N 2 0 242.363 0.458 20 0 BCADRP CNC(=[NH2+])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062985231 173209632 /nfs/dbraw/zinc/20/96/32/173209632.db2.gz SOVBEQYIPWCMBU-SNVBAGLBSA-N 2 0 210.325 0.701 20 0 BCADRP CNC(=O)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000043493537 173223702 /nfs/dbraw/zinc/22/37/02/173223702.db2.gz QRVILWGYILYQJD-NSHDSACASA-N 2 0 239.363 0.444 20 0 BCADRP CNC(=O)CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000358020743 173242722 /nfs/dbraw/zinc/24/27/22/173242722.db2.gz GKBYVCNXYMEWBU-IJLUTSLNSA-N 2 0 241.379 0.831 20 0 BCADRP CNC(=O)CC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000123619225 173249951 /nfs/dbraw/zinc/24/99/51/173249951.db2.gz HUPPAIVIFDBACF-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000338160514 173282210 /nfs/dbraw/zinc/28/22/10/173282210.db2.gz SXLGVGHAWPQIKS-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000308845655 173282585 /nfs/dbraw/zinc/28/25/85/173282585.db2.gz AAPGHDNRUNMAEQ-ZJUUUORDSA-N 2 0 215.341 0.441 20 0 BCADRP CNC(=O)[C@@H](C)C[N@H+](C)CC(C)(C)[NH3+] ZINC000309001514 173293544 /nfs/dbraw/zinc/29/35/44/173293544.db2.gz OFHIJOZKSUZNKK-QMMMGPOBSA-N 2 0 201.314 0.038 20 0 BCADRP C[NH2+]CC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357360344 173324904 /nfs/dbraw/zinc/32/49/04/173324904.db2.gz DFSDSCGIGRMHHT-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP C[NH2+]CC(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000166406535 173325310 /nfs/dbraw/zinc/32/53/10/173325310.db2.gz FOFMQTKZHJBCFU-UHFFFAOYSA-N 2 0 235.331 0.801 20 0 BCADRP C[NH2+]CC(=O)NCC[NH+](C(C)C)C(C)C ZINC000019473197 173329270 /nfs/dbraw/zinc/32/92/70/173329270.db2.gz WGDJSJBYOGKYPK-UHFFFAOYSA-N 2 0 215.341 0.441 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000237234483 173330777 /nfs/dbraw/zinc/33/07/77/173330777.db2.gz KKBPYVYASSJUJX-NSHDSACASA-N 2 0 227.352 0.300 20 0 BCADRP C[NH2+]CC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000237271046 173331975 /nfs/dbraw/zinc/33/19/75/173331975.db2.gz FWIIGOSCXJJUHH-ZDUSSCGKSA-N 2 0 249.358 0.495 20 0 BCADRP C[NH2+]CC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000237274012 173333062 /nfs/dbraw/zinc/33/30/62/173333062.db2.gz QRTMGVRYNABFQP-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP C[NH2+]CC1CC[NH+]([C@H](C)COC)CC1 ZINC000063159131 173338856 /nfs/dbraw/zinc/33/88/56/173338856.db2.gz BSUOSSGOMYYKLW-SNVBAGLBSA-N 2 0 200.326 0.953 20 0 BCADRP C[NH2+]CCC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000368600468 173339160 /nfs/dbraw/zinc/33/91/60/173339160.db2.gz CBODBRZRNFUDTE-UHFFFAOYSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]CCC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000367648674 173339266 /nfs/dbraw/zinc/33/92/66/173339266.db2.gz KXFVWIFFSIZMGF-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000367654015 173339939 /nfs/dbraw/zinc/33/99/39/173339939.db2.gz SGHKWDVLPZXDRT-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227455728 173340238 /nfs/dbraw/zinc/34/02/38/173340238.db2.gz DUCLRAKRNXEVCF-QWRGUYRKSA-N 2 0 225.336 0.291 20 0 BCADRP C[NH2+]CCC(=O)NCC[NH+](C(C)C)C(C)C ZINC000043599600 173340260 /nfs/dbraw/zinc/34/02/60/173340260.db2.gz NRTIHETWJWSTEJ-UHFFFAOYSA-N 2 0 229.368 0.831 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000043605479 173340535 /nfs/dbraw/zinc/34/05/35/173340535.db2.gz WBEOCDOAXHFLLD-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000043600203 173341016 /nfs/dbraw/zinc/34/10/16/173341016.db2.gz ULSLCTQYZIZSJA-NSHDSACASA-N 2 0 229.368 0.688 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000357236260 173341333 /nfs/dbraw/zinc/34/13/33/173341333.db2.gz CLQZAKGSMHKXOP-VHSXEESVSA-N 2 0 225.336 0.337 20 0 BCADRP C[NH2+]CCC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000043600181 173341457 /nfs/dbraw/zinc/34/14/57/173341457.db2.gz PGOXGEVPHRHANR-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000043603848 173341620 /nfs/dbraw/zinc/34/16/20/173341620.db2.gz DJAVFUJTDGOVTR-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000070189614 173342969 /nfs/dbraw/zinc/34/29/69/173342969.db2.gz XXSNOBHASMPMIR-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]CCCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000237116981 173343091 /nfs/dbraw/zinc/34/30/91/173343091.db2.gz SUIYMEZWKVNYPX-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+]CCC1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000070189849 173343309 /nfs/dbraw/zinc/34/33/09/173343309.db2.gz UCMQJHSOTAJWGE-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CCCC(=O)NC1CC[NH+](C)CC1 ZINC000037477693 173343683 /nfs/dbraw/zinc/34/36/83/173343683.db2.gz ZRRIKOUCRYBJIM-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP C[NH2+]CCCC(=O)NCCC[NH+](C)C ZINC000037477584 173343926 /nfs/dbraw/zinc/34/39/26/173343926.db2.gz DIZVYOKWHBDATD-UHFFFAOYSA-N 2 0 201.314 0.054 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000368560735 173343988 /nfs/dbraw/zinc/34/39/88/173343988.db2.gz HHKSHBAIGFFZTO-ZDUSSCGKSA-N 2 0 239.363 0.588 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000037610784 173344464 /nfs/dbraw/zinc/34/44/64/173344464.db2.gz JIQYHIQTBLEGBJ-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000237171131 173344558 /nfs/dbraw/zinc/34/45/58/173344558.db2.gz IFTDMHDIJIAKDZ-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000038029524 173344779 /nfs/dbraw/zinc/34/47/79/173344779.db2.gz PTIHRXJWPXECOF-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH2+]CCCC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000237218213 173344938 /nfs/dbraw/zinc/34/49/38/173344938.db2.gz BNSVYHFQYOKWLS-LLVKDONJSA-N 2 0 215.341 0.476 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000237217297 173345337 /nfs/dbraw/zinc/34/53/37/173345337.db2.gz IQJZOSRFTMQQPE-MNOVXSKESA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000124628926 173345933 /nfs/dbraw/zinc/34/59/33/173345933.db2.gz MXYQMNUURSYSML-LBPRGKRZSA-N 2 0 235.331 0.754 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000310123940 173345946 /nfs/dbraw/zinc/34/59/46/173345946.db2.gz IRSKIOFOXNSCFL-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+]CCC[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000042438677 173347377 /nfs/dbraw/zinc/34/73/77/173347377.db2.gz XQRVOPHSFSWGFJ-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000121101515 173348176 /nfs/dbraw/zinc/34/81/76/173348176.db2.gz STUCCSGWLMPHDT-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH2+]CCN(C)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000372906416 173351376 /nfs/dbraw/zinc/35/13/76/173351376.db2.gz OFUAURUGOLCKNY-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000367641696 173351746 /nfs/dbraw/zinc/35/17/46/173351746.db2.gz FFMRGERRZQBOIS-WCQYABFASA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]([NH3+])CC(C)C ZINC000069803124 173351996 /nfs/dbraw/zinc/35/19/96/173351996.db2.gz HTNRHFSSYFLEAU-VIFPVBQESA-N 2 0 201.314 0.038 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000237303979 173352080 /nfs/dbraw/zinc/35/20/80/173352080.db2.gz PUHZPHXENMYXTD-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000369165515 173352175 /nfs/dbraw/zinc/35/21/75/173352175.db2.gz IPQNIHHQMIBHNB-ZYHUDNBSSA-N 2 0 225.336 0.054 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237071475 173354966 /nfs/dbraw/zinc/35/49/66/173354966.db2.gz VWKQUJFFQDJPBX-VWYCJHECSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000092135558 173362735 /nfs/dbraw/zinc/36/27/35/173362735.db2.gz GFYWYUFPONOWJC-GFCCVEGCSA-N 2 0 241.379 0.690 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000237203515 173362848 /nfs/dbraw/zinc/36/28/48/173362848.db2.gz GKWKVGRAWZEHSH-ZYHUDNBSSA-N 2 0 235.331 0.658 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000237236492 173363160 /nfs/dbraw/zinc/36/31/60/173363160.db2.gz WEABQDWJZFRUEF-GHMZBOCLSA-N 2 0 243.395 0.934 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364158112 173368672 /nfs/dbraw/zinc/36/86/72/173368672.db2.gz STQWSUAKNSPCCE-LOWVWBTDSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1CCN1CCOCC1 ZINC000042390399 173368709 /nfs/dbraw/zinc/36/87/09/173368709.db2.gz MIYMSEDFJZYPAR-LBPRGKRZSA-N 2 0 227.352 0.002 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364158111 173369200 /nfs/dbraw/zinc/36/92/00/173369200.db2.gz STQWSUAKNSPCCE-GVXVVHGQSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000237281298 173373118 /nfs/dbraw/zinc/37/31/18/173373118.db2.gz IWVRGZNICIPUIU-QWRGUYRKSA-N 2 0 229.368 0.674 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000336522099 173373891 /nfs/dbraw/zinc/37/38/91/173373891.db2.gz SYRYPTAJKZVSHZ-AAEUAGOBSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000237323575 173373930 /nfs/dbraw/zinc/37/39/30/173373930.db2.gz OPTBXZBYTIPYGQ-ONGXEEELSA-N 2 0 227.352 0.298 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000226399307 173374142 /nfs/dbraw/zinc/37/41/42/173374142.db2.gz OXJOGNMJFLIZEY-VHSXEESVSA-N 2 0 227.352 0.441 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000092134487 173374291 /nfs/dbraw/zinc/37/42/91/173374291.db2.gz JXKAFVKRFKGZIE-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000237059508 173374535 /nfs/dbraw/zinc/37/45/35/173374535.db2.gz JXBNGBXERPDDQQ-JQWIXIFHSA-N 2 0 229.368 0.722 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000237307134 173378413 /nfs/dbraw/zinc/37/84/13/173378413.db2.gz ZDIXTVKLIHXRLS-DGCLKSJQSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000334149380 173380588 /nfs/dbraw/zinc/38/05/88/173380588.db2.gz GJMXNWCGKYNGQM-DGCLKSJQSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000336498268 173435712 /nfs/dbraw/zinc/43/57/12/173435712.db2.gz JISLDVXBPLPEIQ-ZYHUDNBSSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000133767904 173460243 /nfs/dbraw/zinc/46/02/43/173460243.db2.gz FGGWAEZPEDNAEY-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP COCCCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000308586014 174201615 /nfs/dbraw/zinc/20/16/15/174201615.db2.gz IKEIELNFFCNEHD-WDEREUQCSA-N 2 0 200.326 0.953 20 0 BCADRP COCCCOCC[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000340707666 174254093 /nfs/dbraw/zinc/25/40/93/174254093.db2.gz ISXGTAYCGIPSJB-CYBMUJFWSA-N 2 0 244.379 0.971 20 0 BCADRP COCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371292670 174311096 /nfs/dbraw/zinc/31/10/96/174311096.db2.gz CUSVERRKUJRFTO-JHJVBQTASA-N 2 0 242.363 0.816 20 0 BCADRP COCCOCCN1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000070531749 174353966 /nfs/dbraw/zinc/35/39/66/174353966.db2.gz ARMLCRUIXSAKGB-NWDGAFQWSA-N 2 0 230.352 0.851 20 0 BCADRP COCCOCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122324463 174354832 /nfs/dbraw/zinc/35/48/32/174354832.db2.gz VAPYMSDQXMMPJF-MNOVXSKESA-N 2 0 216.325 0.319 20 0 BCADRP COCCOCC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000308979566 174358417 /nfs/dbraw/zinc/35/84/17/174358417.db2.gz RTNONOHGQUCQAZ-NSHDSACASA-N 2 0 218.341 0.612 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368113484 175711116 /nfs/dbraw/zinc/71/11/16/175711116.db2.gz QLPYQPNFVUYCJY-INTQDDNPSA-N 2 0 225.336 0.086 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061645180 175802665 /nfs/dbraw/zinc/80/26/65/175802665.db2.gz UMFUALGFYCXYLX-NXEZZACHSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCCC[NH+](C)C ZINC000069838891 175804502 /nfs/dbraw/zinc/80/45/02/175804502.db2.gz WIGISLMGKHHVNT-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP C[C@@H]1C(=O)NCCN1CCCn1ccnc1 ZINC000183171691 176046761 /nfs/dbraw/zinc/04/67/61/176046761.db2.gz MKXYHNAPWZUWQH-SNVBAGLBSA-N 2 0 222.292 0.094 20 0 BCADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[NH3+])C1 ZINC000237399327 176096451 /nfs/dbraw/zinc/09/64/51/176096451.db2.gz SUNWDXLOMJLERG-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC[NH3+] ZINC000237400330 176099447 /nfs/dbraw/zinc/09/94/47/176099447.db2.gz YYUZBYGLQPNPIQ-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](CNC(=O)C(C)(C)[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000237401320 176102926 /nfs/dbraw/zinc/10/29/26/176102926.db2.gz SVSRWUUKHTVIFT-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1CCN(CC2(C[NH3+])CC2)C[C@H]1C[NH3+] ZINC000331366506 176168021 /nfs/dbraw/zinc/16/80/21/176168021.db2.gz DFKSQRLSPBOTJQ-GHMZBOCLSA-N 2 0 211.353 0.642 20 0 BCADRP C[C@@H]1CC[N@H+](CCc2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000230775661 176171138 /nfs/dbraw/zinc/17/11/38/176171138.db2.gz HUYRFCGXIDPIQF-YPMHNXCESA-N 2 0 236.363 0.879 20 0 BCADRP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229087619 176180992 /nfs/dbraw/zinc/18/09/92/176180992.db2.gz OHDKTMPFDNBLBX-MXWKQRLJSA-N 2 0 227.352 0.380 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000186847720 176185308 /nfs/dbraw/zinc/18/53/08/176185308.db2.gz FSHQGAKNPAZWMR-ZYHUDNBSSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1([NH3+])CCCC1 ZINC000186836660 176185335 /nfs/dbraw/zinc/18/53/35/176185335.db2.gz RRSNQJGBDHOSEU-NXEZZACHSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000357300332 176186893 /nfs/dbraw/zinc/18/68/93/176186893.db2.gz DWQRFHGVAUOZOH-PRULPYPASA-N 2 0 239.363 0.631 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000357299305 176187352 /nfs/dbraw/zinc/18/73/52/176187352.db2.gz NDZKGCMQXHWGAP-ZNSHCXBVSA-N 2 0 225.336 0.099 20 0 BCADRP C[C@@H]1CN(C(=O)NCC[N@H+](C)C2CC2)C[C@@H]1[NH3+] ZINC000331438165 176250723 /nfs/dbraw/zinc/25/07/23/176250723.db2.gz GXIUZIMBLAXANQ-KOLCDFICSA-N 2 0 240.351 0.069 20 0 BCADRP C[C@@H]1C[N@H+](C)CCN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000310353754 176266855 /nfs/dbraw/zinc/26/68/55/176266855.db2.gz QEHAVJJDKOLIPP-YPMHNXCESA-N 2 0 241.379 0.077 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cnccn1 ZINC000341889403 176271071 /nfs/dbraw/zinc/27/10/71/176271071.db2.gz RPKSFMHKWCQLCW-DGCLKSJQSA-N 2 0 234.347 0.949 20 0 BCADRP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)C[NH+](C)C ZINC000341263505 176272759 /nfs/dbraw/zinc/27/27/59/176272759.db2.gz PFXXSYOKPXPWJY-UTUOFQBUSA-N 2 0 241.379 0.498 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000310184917 176279731 /nfs/dbraw/zinc/27/97/31/176279731.db2.gz YFKZHERDDMVSAV-DDHJBXDOSA-N 2 0 239.363 0.535 20 0 BCADRP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCCO1 ZINC000061918637 176291241 /nfs/dbraw/zinc/29/12/41/176291241.db2.gz HYURQFOQTBFWNA-GFCCVEGCSA-N 2 0 227.352 0.002 20 0 BCADRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1C[NH2+]C1 ZINC000251553600 176323518 /nfs/dbraw/zinc/32/35/18/176323518.db2.gz BJBZIUQQOFKTFN-PWSUYJOCSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000124715709 176325409 /nfs/dbraw/zinc/32/54/09/176325409.db2.gz HMZFCKCZQXZQBZ-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[C@@H](C(=O)NC[C@H]2CC[N@H+](C)C2)CC[NH2+]1 ZINC000300129813 176359123 /nfs/dbraw/zinc/35/91/23/176359123.db2.gz ADBNJBKMMCRFDJ-UTUOFQBUSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1C[C@@H](C[N@H+](C)C2CC([NH3+])C2)CC[NH2+]1 ZINC000334869595 176367859 /nfs/dbraw/zinc/36/78/59/176367859.db2.gz PMMKNUPFXMQKMH-QKEWWQLBSA-N 2 0 211.353 0.796 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1cnn(C)c1 ZINC000228659124 176367906 /nfs/dbraw/zinc/36/79/06/176367906.db2.gz KMSWJDVTJPBVCL-PWSUYJOCSA-N 2 0 222.336 0.632 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C2([NH3+])CCCCC2)CC[NH2+]1 ZINC000336550409 176372653 /nfs/dbraw/zinc/37/26/53/176372653.db2.gz HAPCHQDLOZTUQK-MNOVXSKESA-N 2 0 239.363 0.905 20 0 BCADRP C[C@@H]1C[C@@H]1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352544924 176391792 /nfs/dbraw/zinc/39/17/92/176391792.db2.gz DTXXQYWTYBHUDE-JHJVBQTASA-N 2 0 223.364 0.622 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000364778107 176565433 /nfs/dbraw/zinc/56/54/33/176565433.db2.gz DMGQOKDLUSJXMU-ZDCRXTMVSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000054337794 176656678 /nfs/dbraw/zinc/65/66/78/176656678.db2.gz KHXOWLDBBSHHNE-LLVKDONJSA-N 2 0 227.352 0.573 20 0 BCADRP C[C@H](CNC(=O)CC[NH3+])[NH+]1CCCCC1 ZINC000038029455 176672512 /nfs/dbraw/zinc/67/25/12/176672512.db2.gz FTHOVCHTDJAIGE-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334149612 176755556 /nfs/dbraw/zinc/75/55/56/176755556.db2.gz HTTYBOXERYLKOR-CMPLNLGQSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1CC2(CN1C(=O)CCC[NH3+])CC[NH2+]CC2 ZINC000335274579 177067983 /nfs/dbraw/zinc/06/79/83/177067983.db2.gz CELYBAWZLFANHA-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)CC[NH3+] ZINC000237509250 177074707 /nfs/dbraw/zinc/07/47/07/177074707.db2.gz BRTFEPKMAKJZLQ-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[NH3+])C1 ZINC000237574383 177096382 /nfs/dbraw/zinc/09/63/82/177096382.db2.gz KGLFRKHBXXZUCR-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000186781604 177174292 /nfs/dbraw/zinc/17/42/92/177174292.db2.gz PEKWPOJJCYFUDV-GWCFXTLKSA-N 2 0 247.342 0.873 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NC2CCC([NH3+])CC2)C1 ZINC000127108530 177175354 /nfs/dbraw/zinc/17/53/54/177175354.db2.gz JMQVVGKPGUMSQK-WNYYMSAVSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000126064815 177175748 /nfs/dbraw/zinc/17/57/48/177175748.db2.gz YSGXBMQDMIIACC-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]1CN(C(=O)NCC[N@H+](C)C2CC2)C[C@@H]1[NH3+] ZINC000331438176 177220488 /nfs/dbraw/zinc/22/04/88/177220488.db2.gz GXIUZIMBLAXANQ-ONGXEEELSA-N 2 0 240.351 0.069 20 0 BCADRP C[C@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000333634354 177221301 /nfs/dbraw/zinc/22/13/01/177221301.db2.gz HECXRELEXXXQQQ-QWRGUYRKSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000237621185 177222168 /nfs/dbraw/zinc/22/21/68/177222168.db2.gz DAHKPCOAMOXWIL-JQWIXIFHSA-N 2 0 233.315 0.507 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCCCC[NH2+]2)CC[NH2+]1 ZINC000364466252 177223203 /nfs/dbraw/zinc/22/32/03/177223203.db2.gz LLPYIHZLJDQWCK-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C[C@H]1[NH3+] ZINC000333515989 177223432 /nfs/dbraw/zinc/22/34/32/177223432.db2.gz GCDYPYGMBXQASW-LNFKQOIKSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1c[nH]cn1 ZINC000362819321 177237243 /nfs/dbraw/zinc/23/72/43/177237243.db2.gz FCQMIROKNZNRCY-WCBMZHEXSA-N 2 0 222.292 0.224 20 0 BCADRP C[C@H]1C[NH+](CCC(=O)N2CC[NH2+]CC2)C[C@@H]1C ZINC000092085527 177246365 /nfs/dbraw/zinc/24/63/65/177246365.db2.gz RGGRUGPTIIIALB-RYUDHWBXSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@H]1C[N@H+](CCn2cccn2)CC[C@H]1[NH3+] ZINC000251683628 177256446 /nfs/dbraw/zinc/25/64/46/177256446.db2.gz HYGBVRCOYQCZPR-WDEREUQCSA-N 2 0 208.309 0.552 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227451086 177279611 /nfs/dbraw/zinc/27/96/11/177279611.db2.gz NDOSMRBBDMAYSP-OUAUKWLOSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227451076 177280694 /nfs/dbraw/zinc/28/06/94/177280694.db2.gz NDOSMRBBDMAYSP-VWYCJHECSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1c[nH+]ccc1N ZINC000294978462 177284554 /nfs/dbraw/zinc/28/45/54/177284554.db2.gz JQMORMOSEISMMT-GZMMTYOYSA-N 2 0 234.303 0.392 20 0 BCADRP C[C@H]1COCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000300859990 177294943 /nfs/dbraw/zinc/29/49/43/177294943.db2.gz NKAYJSVEMJZNGO-RYUDHWBXSA-N 2 0 230.352 0.579 20 0 BCADRP C[C@H]1COCC[C@@H]1[NH2+]CCc1cncn1C ZINC000336780539 177295461 /nfs/dbraw/zinc/29/54/61/177295461.db2.gz RPJBMDRMNCFGBC-JQWIXIFHSA-N 2 0 223.320 0.977 20 0 BCADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[NH3+] ZINC000246253053 177313093 /nfs/dbraw/zinc/31/30/93/177313093.db2.gz KBOGKBOGARESPI-AXFHLTTASA-N 2 0 227.352 0.428 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnn(C)c1 ZINC000122295120 177324317 /nfs/dbraw/zinc/32/43/17/177324317.db2.gz ZFRNJLJPPWDPFY-UWVGGRQHSA-N 2 0 208.309 0.589 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)N(C)CC[NH3+])C[N@@H+]1C1CC1 ZINC000331747660 177328322 /nfs/dbraw/zinc/32/83/22/177328322.db2.gz DVTVZQKHCJHVFT-VHSXEESVSA-N 2 0 240.351 0.212 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)CC[N@@H+]1C ZINC000132954924 177329648 /nfs/dbraw/zinc/32/96/48/177329648.db2.gz NNQNOGPJOOQIFP-GARJFASQSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000132917577 177329880 /nfs/dbraw/zinc/32/98/80/177329880.db2.gz TVIMEBFVRVYYOQ-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C2([NH3+])CCCC2)CC[N@@H+]1C ZINC000132941328 177366825 /nfs/dbraw/zinc/36/68/25/177366825.db2.gz HTUDXGYCEJBVNO-WDEREUQCSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C2([NH3+])CCCC2)CC[NH2+]1 ZINC000336229367 177367316 /nfs/dbraw/zinc/36/73/16/177367316.db2.gz BXFYXWKSXWIMEO-VHSXEESVSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@H](CCO)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000127212467 177371653 /nfs/dbraw/zinc/37/16/53/177371653.db2.gz HEMLMDNVSACFGD-VWYCJHECSA-N 2 0 212.337 0.972 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC[NH2+]CC1 ZINC000333735179 177394964 /nfs/dbraw/zinc/39/49/64/177394964.db2.gz WUWOQYUOIDOJMP-MNOVXSKESA-N 2 0 240.351 0.132 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000367386775 177395464 /nfs/dbraw/zinc/39/54/64/177395464.db2.gz WTMXCCPHKMOAGU-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000368009096 177395729 /nfs/dbraw/zinc/39/57/29/177395729.db2.gz WBIKFGRUYYPXAC-DDHJBXDOSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000335109770 177395895 /nfs/dbraw/zinc/39/58/95/177395895.db2.gz HFDGQGIJEJNPOU-MWLCHTKSSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000368558655 177396018 /nfs/dbraw/zinc/39/60/18/177396018.db2.gz WDCRTVMRLSQLHX-GMTAPVOTSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H]1C ZINC000333706999 177396319 /nfs/dbraw/zinc/39/63/19/177396319.db2.gz RQIHRPROKAAMJF-GMTAPVOTSA-N 2 0 240.351 0.130 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CCO ZINC000383598913 487644765 /nfs/dbraw/zinc/64/47/65/487644765.db2.gz PQUZFQVBQWRNLX-STQMWFEESA-N 2 0 244.379 0.534 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CCO ZINC000383598910 487644820 /nfs/dbraw/zinc/64/48/20/487644820.db2.gz PQUZFQVBQWRNLX-CHWSQXEVSA-N 2 0 244.379 0.534 20 0 BCADRP C[NH+](C)C/C=C/C(=O)NC1(C[NH+](C)C)CCC1 ZINC000492599004 226025124 /nfs/dbraw/zinc/02/51/24/226025124.db2.gz WPFIKCFJMJRLOQ-FNORWQNLSA-N 2 0 239.363 0.705 20 0 BCADRP COCC(C)(C)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000494098369 226260709 /nfs/dbraw/zinc/26/07/09/226260709.db2.gz MZQLFTDFODKMNX-UHFFFAOYSA-N 2 0 244.379 0.705 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCN2CCOC2=O)C1 ZINC000496649523 226310674 /nfs/dbraw/zinc/31/06/74/226310674.db2.gz KQDZVOVHEXJEOD-QWRGUYRKSA-N 2 0 241.335 0.688 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000557169152 322934873 /nfs/dbraw/zinc/93/48/73/322934873.db2.gz YKFYTSQDGMERNZ-GHMZBOCLSA-N 2 0 227.352 0.489 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079512014 487652463 /nfs/dbraw/zinc/65/24/63/487652463.db2.gz PNFIVUBSZZHKHY-ZDUSSCGKSA-N 2 0 239.363 0.681 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H](C)[NH3+] ZINC000669588060 487653657 /nfs/dbraw/zinc/65/36/57/487653657.db2.gz BUSCXLNTDSWUSB-QWRGUYRKSA-N 2 0 244.383 0.753 20 0 BCADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](C)[NH3+] ZINC000669588390 487657127 /nfs/dbraw/zinc/65/71/27/487657127.db2.gz BUSCXLNTDSWUSB-WDEREUQCSA-N 2 0 244.383 0.753 20 0 BCADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@H](C)[NH3+] ZINC000669589377 487660496 /nfs/dbraw/zinc/66/04/96/487660496.db2.gz GITSAWXUUIPVNJ-MNOVXSKESA-N 2 0 244.383 0.753 20 0 BCADRP CCC[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)OC ZINC000393464981 487662079 /nfs/dbraw/zinc/66/20/79/487662079.db2.gz LILSHGGBAAHTPC-CHWSQXEVSA-N 2 0 244.379 0.848 20 0 BCADRP CC1CC[NH+](CCNC(=O)CCCC[NH3+])CC1 ZINC000070203119 487662648 /nfs/dbraw/zinc/66/26/48/487662648.db2.gz LAPWPWSMDYMAFS-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP CCOCC[N@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC000082537261 487664240 /nfs/dbraw/zinc/66/42/40/487664240.db2.gz OIYHXKPNVBOQGD-LLVKDONJSA-N 2 0 200.326 0.954 20 0 BCADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC12CC2 ZINC000424376845 229160392 /nfs/dbraw/zinc/16/03/92/229160392.db2.gz PZDGPJYYCRYADI-XWLWVQCSSA-N 2 0 210.321 0.881 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[NH3+] ZINC000307652140 229217993 /nfs/dbraw/zinc/21/79/93/229217993.db2.gz JILKFMLNCFFGLX-YPMHNXCESA-N 2 0 247.342 0.582 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)CC[NH+](C)C ZINC000659444844 487681484 /nfs/dbraw/zinc/68/14/84/487681484.db2.gz AIJHEECRRALHLK-ZJUUUORDSA-N 2 0 230.356 0.234 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662648827 487685147 /nfs/dbraw/zinc/68/51/47/487685147.db2.gz KHVQLQBZICSOEI-WDEREUQCSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCC(=O)N2)CC1 ZINC000079946486 487692122 /nfs/dbraw/zinc/69/21/22/487692122.db2.gz VALLXJSYSDAFSW-LBPRGKRZSA-N 2 0 239.363 0.727 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](CO)C1CCCC1 ZINC000395189307 262767958 /nfs/dbraw/zinc/76/79/58/262767958.db2.gz HNTLYAPTGATEMN-CHWSQXEVSA-N 2 0 244.379 0.881 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000399079621 262775453 /nfs/dbraw/zinc/77/54/53/262775453.db2.gz RGBJSPIUJZSCNR-NWDGAFQWSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C1(C)C[NH2+]C1 ZINC000399156918 262776972 /nfs/dbraw/zinc/77/69/72/262776972.db2.gz IQXKMOMQKVSJIZ-UHFFFAOYSA-N 2 0 213.325 0.052 20 0 BCADRP CC1(C(=O)NCCC[NH+]2CCCC2)C[NH2+]C1 ZINC000399146856 262777259 /nfs/dbraw/zinc/77/72/59/262777259.db2.gz FEOHOCPVVAAMBK-UHFFFAOYSA-N 2 0 225.336 0.198 20 0 BCADRP C[C@H](C[NH2+]CC1(F)CC1)CN1CC[NH+](C)CC1 ZINC000527518835 262850943 /nfs/dbraw/zinc/85/09/43/262850943.db2.gz CKVMFGBFOOAGSY-GFCCVEGCSA-N 2 0 243.370 0.962 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000527533879 262861458 /nfs/dbraw/zinc/86/14/58/262861458.db2.gz WXMBMYCCBCYEIW-UTUOFQBUSA-N 2 0 223.364 0.859 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000653142289 487702235 /nfs/dbraw/zinc/70/22/35/487702235.db2.gz GGDGNWJETJHKHL-XWLWVQCSSA-N 2 0 243.326 0.320 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC000669403343 487705080 /nfs/dbraw/zinc/70/50/80/487705080.db2.gz WADWGACERJHYNI-GHMZBOCLSA-N 2 0 240.351 0.084 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000669403341 487705476 /nfs/dbraw/zinc/70/54/76/487705476.db2.gz VZEUACGBKRUULL-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000669403275 487705626 /nfs/dbraw/zinc/70/56/26/487705626.db2.gz QVVHTMINWHQHJV-ZJUUUORDSA-N 2 0 228.340 0.117 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000669403129 487706001 /nfs/dbraw/zinc/70/60/01/487706001.db2.gz LEKQRVAKGIUZEN-MNOVXSKESA-N 2 0 240.351 0.084 20 0 BCADRP CN(CCC[NH3+])C(=O)CCC1CC[NH2+]CC1 ZINC000154527422 487711672 /nfs/dbraw/zinc/71/16/72/487711672.db2.gz GKNZNRFWMBIVEV-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP COCC[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336714128 487721011 /nfs/dbraw/zinc/72/10/11/487721011.db2.gz VVOQXJQEHMYUTL-SRVKXCTJSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+](C)C ZINC000674246543 487721374 /nfs/dbraw/zinc/72/13/74/487721374.db2.gz NKFYQLOZDAXMMZ-QWRGUYRKSA-N 2 0 227.352 0.489 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC[C@H]([NH3+])CC(F)F ZINC000903932514 584825037 /nfs/dbraw/zinc/82/50/37/584825037.db2.gz DCCYWMJTGXLMLW-RKDXNWHRSA-N 2 0 223.311 0.932 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000249979920 487725678 /nfs/dbraw/zinc/72/56/78/487725678.db2.gz QZJJEUNFTYMBBX-CHWSQXEVSA-N 2 0 241.379 0.391 20 0 BCADRP CC[N@H+](CCO)CCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000681108860 487728091 /nfs/dbraw/zinc/72/80/91/487728091.db2.gz NHUZSIYEBQYOEM-CHWSQXEVSA-N 2 0 243.395 0.373 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250240996 487728412 /nfs/dbraw/zinc/72/84/12/487728412.db2.gz LFCLZMVLVCROBQ-OUAUKWLOSA-N 2 0 225.336 0.467 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000226393987 487729026 /nfs/dbraw/zinc/72/90/26/487729026.db2.gz LULKURQZZRDSQR-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000082772222 487730703 /nfs/dbraw/zinc/73/07/03/487730703.db2.gz UNNRPXKBNHUFIZ-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000087471683 487733118 /nfs/dbraw/zinc/73/31/18/487733118.db2.gz RMBUCCRJKVAOEQ-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP C[NH2+]CCCN(C)C(=O)CC(C)(C)[NH3+] ZINC000087471721 487733200 /nfs/dbraw/zinc/73/32/00/487733200.db2.gz PHBMOEHKSJSCPB-UHFFFAOYSA-N 2 0 201.314 0.182 20 0 BCADRP C[C@H](CNC(=O)C[C@H](C)[NH3+])[N@H+](C)C1CC1 ZINC000226399503 487734316 /nfs/dbraw/zinc/73/43/16/487734316.db2.gz JMOQNJYSCPWOTJ-DTWKUNHWSA-N 2 0 213.325 0.323 20 0 BCADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC000076454663 487741405 /nfs/dbraw/zinc/74/14/05/487741405.db2.gz AHRNZIAWHHVKHU-NEPJUHHUSA-N 2 0 214.353 0.935 20 0 BCADRP COC[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000226438105 487745342 /nfs/dbraw/zinc/74/53/42/487745342.db2.gz UDSSFFXUTSTPSU-VXGBXAGGSA-N 2 0 212.337 0.954 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000082921251 487753411 /nfs/dbraw/zinc/75/34/11/487753411.db2.gz ZQPOLFCTKLKHJP-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000082921250 487753468 /nfs/dbraw/zinc/75/34/68/487753468.db2.gz ZQPOLFCTKLKHJP-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000082921645 487753526 /nfs/dbraw/zinc/75/35/26/487753526.db2.gz IUJJRKYREVEKCY-WFBLGPOFSA-N 2 0 225.336 0.500 20 0 BCADRP CC[C@@H]1C[N@H+](CCOCCOC)CC[C@H]1[NH3+] ZINC000251598851 487775486 /nfs/dbraw/zinc/77/54/86/487775486.db2.gz CZZGAKYLIZBVCY-VXGBXAGGSA-N 2 0 230.352 0.709 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178575753 487776030 /nfs/dbraw/zinc/77/60/30/487776030.db2.gz ZVVILCXIDXLPSM-BBBLOLIVSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000364778104 487778999 /nfs/dbraw/zinc/77/89/99/487778999.db2.gz DMGQOKDLUSJXMU-DBIOUOCHSA-N 2 0 225.336 0.323 20 0 BCADRP CC(C)([NH3+])CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000309246948 487805905 /nfs/dbraw/zinc/80/59/05/487805905.db2.gz CMUSZHWDTXMVIL-VIFPVBQESA-N 2 0 213.325 0.372 20 0 BCADRP CC(=O)NCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000394821980 487809166 /nfs/dbraw/zinc/80/91/66/487809166.db2.gz UOLDORFCXIABNG-WDEREUQCSA-N 2 0 213.325 0.372 20 0 BCADRP CC1CC[NH+](CCN2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000676085798 487812860 /nfs/dbraw/zinc/81/28/60/487812860.db2.gz QZTLZGIILAOENB-KBPBESRZSA-N 2 0 237.391 0.870 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)CC[N@@H+]1C ZINC000156106757 487814347 /nfs/dbraw/zinc/81/43/47/487814347.db2.gz ZHYBRKKYFWNATC-DCAQKATOSA-N 2 0 225.336 0.337 20 0 BCADRP O=C1CC[C@@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)N1 ZINC000156107224 487814217 /nfs/dbraw/zinc/81/42/17/487814217.db2.gz YNZBRXZUEAXIPC-SRVKXCTJSA-N 2 0 237.347 0.481 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000252601993 487826818 /nfs/dbraw/zinc/82/68/18/487826818.db2.gz MSELVWXEVJKPTG-HBNTYKKESA-N 2 0 225.336 0.052 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000252610434 487827615 /nfs/dbraw/zinc/82/76/15/487827615.db2.gz URTTUQPFZWOWER-TUAOUCFPSA-N 2 0 239.363 0.442 20 0 BCADRP CN(C[C@H]1CCC[N@@H+]1C)C[C@H]1C[NH2+]CCO1 ZINC000252581760 487827197 /nfs/dbraw/zinc/82/71/97/487827197.db2.gz UANDYZQIPHZHPZ-VXGBXAGGSA-N 2 0 227.352 0.001 20 0 BCADRP CN(C)c1ncc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000414931546 487830027 /nfs/dbraw/zinc/83/00/27/487830027.db2.gz USGZLTZWLQBGTK-VXGBXAGGSA-N 2 0 249.362 0.902 20 0 BCADRP CN(C)c1ncc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000414931520 487830185 /nfs/dbraw/zinc/83/01/85/487830185.db2.gz USGZLTZWLQBGTK-NEPJUHHUSA-N 2 0 249.362 0.902 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000252850699 487835562 /nfs/dbraw/zinc/83/55/62/487835562.db2.gz HRQKSDOHEWQJQU-GUBZILKMSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000494699593 528498762 /nfs/dbraw/zinc/49/87/62/528498762.db2.gz QJVWSSFZILVPQR-ADEWGFFLSA-N 2 0 239.363 0.569 20 0 BCADRP CC[N@@H+](CC(=O)N(C)C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000666620269 487846279 /nfs/dbraw/zinc/84/62/79/487846279.db2.gz ZSGKUCXYTFNMJE-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000569341163 322951028 /nfs/dbraw/zinc/95/10/28/322951028.db2.gz GMSIDCWFHYEQCA-ZNSHCXBVSA-N 2 0 225.336 0.452 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000569341160 322951031 /nfs/dbraw/zinc/95/10/31/322951031.db2.gz GMSIDCWFHYEQCA-CHWFTXMASA-N 2 0 225.336 0.452 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000253150081 487856137 /nfs/dbraw/zinc/85/61/37/487856137.db2.gz DQODFOPTIOEVDE-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373044007 487856516 /nfs/dbraw/zinc/85/65/16/487856516.db2.gz RWVOHIQVKYIYEI-SRVKXCTJSA-N 2 0 239.363 0.570 20 0 BCADRP CC[NH+](CC)CCNC(=O)NCC[NH2+]C1CC1 ZINC000668500848 487857177 /nfs/dbraw/zinc/85/71/77/487857177.db2.gz RMRTZFXQDPBWOM-UHFFFAOYSA-N 2 0 242.367 0.379 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@H](C)[NH3+])C1 ZINC000226684629 487857471 /nfs/dbraw/zinc/85/74/71/487857471.db2.gz NHLOCQSWZPDVNU-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](O)C[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000666689568 487861005 /nfs/dbraw/zinc/86/10/05/487861005.db2.gz HVIOGSGDSQDNIZ-OUAUKWLOSA-N 2 0 200.326 0.687 20 0 BCADRP [NH3+]CC1(CCNC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000652206412 487879183 /nfs/dbraw/zinc/87/91/83/487879183.db2.gz HONLFAQQPGCJBY-JTQLQIEISA-N 2 0 240.351 0.167 20 0 BCADRP [NH3+]CC1(CCNC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000652206413 487879725 /nfs/dbraw/zinc/87/97/25/487879725.db2.gz HONLFAQQPGCJBY-SNVBAGLBSA-N 2 0 240.351 0.167 20 0 BCADRP [NH3+]C[C@H](NC(=O)NCCC1(C[NH3+])CC1)C1CC1 ZINC000652207556 487879739 /nfs/dbraw/zinc/87/97/39/487879739.db2.gz NKWCDRRAFIIEAK-JTQLQIEISA-N 2 0 240.351 0.152 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)CCC[NH3+])CC1 ZINC000569603081 322972299 /nfs/dbraw/zinc/97/22/99/322972299.db2.gz WBAGTDCYAUELRB-LLVKDONJSA-N 2 0 227.352 0.668 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655514496 487887280 /nfs/dbraw/zinc/88/72/80/487887280.db2.gz RSPYZXOQZFAGGW-ZETCQYMHSA-N 2 0 241.257 0.334 20 0 BCADRP CC[N@H+](CCNC(=O)NC[C@@H](C)[NH3+])C1CC1 ZINC000669444473 487888965 /nfs/dbraw/zinc/88/89/65/487888965.db2.gz QXPXVUAOXDWXAK-SECBINFHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)CCN1C ZINC000652257671 487893888 /nfs/dbraw/zinc/89/38/88/487893888.db2.gz ZLSMRIMDKKTLFK-UKKRHICBSA-N 2 0 225.336 0.323 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C)[NH3+] ZINC000669451460 487896469 /nfs/dbraw/zinc/89/64/69/487896469.db2.gz HAXUPNLVWOZWKM-ZJUUUORDSA-N 2 0 230.356 0.363 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)[NH3+] ZINC000669451459 487896628 /nfs/dbraw/zinc/89/66/28/487896628.db2.gz HAXUPNLVWOZWKM-VHSXEESVSA-N 2 0 230.356 0.363 20 0 BCADRP [NH3+]C1(C(=O)NCC[C@@H]2CC[NH2+]C2)CCCC1 ZINC000178408494 487899705 /nfs/dbraw/zinc/89/97/05/487899705.db2.gz HCBXLINGSIYVSN-JTQLQIEISA-N 2 0 225.336 0.374 20 0 BCADRP CC[NH+](CC)CCCNC(=O)N(C)CC[NH2+]C ZINC000416807790 487910792 /nfs/dbraw/zinc/91/07/92/487910792.db2.gz GLQBAUVIXBAQRS-UHFFFAOYSA-N 2 0 244.383 0.579 20 0 BCADRP [NH3+]CC1CCC([NH2+]C[C@@H]2C[C@H](F)CN2)CC1 ZINC000666948238 487912372 /nfs/dbraw/zinc/91/23/72/487912372.db2.gz YDNTXCHPHVFCJY-ADPBJBESSA-N 2 0 229.343 0.794 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([C@@H](C)O)C1 ZINC000582554316 487916313 /nfs/dbraw/zinc/91/63/13/487916313.db2.gz JQIAJSZTEKLHHI-AGIUHOORSA-N 2 0 244.379 0.392 20 0 BCADRP CC(C)NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404294110 487916753 /nfs/dbraw/zinc/91/67/53/487916753.db2.gz MSFPYHLFPRKFHO-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404294107 487916789 /nfs/dbraw/zinc/91/67/89/487916789.db2.gz MSFPYHLFPRKFHO-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000157727302 487918636 /nfs/dbraw/zinc/91/86/36/487918636.db2.gz IEVOZWRWVGXTGM-QWRGUYRKSA-N 2 0 237.347 0.611 20 0 BCADRP C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000647719476 487920275 /nfs/dbraw/zinc/92/02/75/487920275.db2.gz RXHYVWNAAKRTTI-GMTAPVOTSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000157778688 487921338 /nfs/dbraw/zinc/92/13/38/487921338.db2.gz YWQIVYYPOMXFRH-LPEHRKFASA-N 2 0 211.309 0.064 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N[C@H](C)C[NH+](CC)CC ZINC000417285126 487922667 /nfs/dbraw/zinc/92/26/67/487922667.db2.gz GQXXQPGWGKGVJZ-GHMZBOCLSA-N 2 0 244.383 0.753 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417283131 487922745 /nfs/dbraw/zinc/92/27/45/487922745.db2.gz CCMQTAXGPULSBK-DCAQKATOSA-N 2 0 244.383 0.752 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](C)C[NH3+] ZINC000417301494 487923633 /nfs/dbraw/zinc/92/36/33/487923633.db2.gz PSXJYLYTCZVMOP-GHMZBOCLSA-N 2 0 244.383 0.611 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCCCC[NH3+] ZINC000417298267 487923796 /nfs/dbraw/zinc/92/37/96/487923796.db2.gz KRCKZPGYGBMSPT-LLVKDONJSA-N 2 0 244.383 0.755 20 0 BCADRP C[NH+](C)C1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000653493388 487926710 /nfs/dbraw/zinc/92/67/10/487926710.db2.gz UQJCUDPLWMNGFI-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP COCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652361401 487931832 /nfs/dbraw/zinc/93/18/32/487931832.db2.gz GNSAYYXQMDCZTH-XQQFMLRXSA-N 2 0 242.363 0.994 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000652364467 487934102 /nfs/dbraw/zinc/93/41/02/487934102.db2.gz RMSZYVJGZZYIJG-SECBINFHSA-N 2 0 220.263 0.693 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000383596257 487937129 /nfs/dbraw/zinc/93/71/29/487937129.db2.gz PDWQAXMQRAQROS-AVGNSLFASA-N 2 0 244.379 0.702 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)[NH3+] ZINC000669474603 487937252 /nfs/dbraw/zinc/93/72/52/487937252.db2.gz ICEMYSMQWJPPKY-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653166360 487949406 /nfs/dbraw/zinc/94/94/06/487949406.db2.gz DLCBQYZYMBLDKI-FSZOTQKASA-N 2 0 239.363 0.759 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H](C)[NH3+])[NH+]1CCCCC1 ZINC000194896551 487949589 /nfs/dbraw/zinc/94/95/89/487949589.db2.gz FDNZILFXXDJGLN-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH3+])[NH+]1CCCCC1 ZINC000194896536 487949517 /nfs/dbraw/zinc/94/95/17/487949517.db2.gz FDNZILFXXDJGLN-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)NCCC[NH3+] ZINC000083862979 487953900 /nfs/dbraw/zinc/95/39/00/487953900.db2.gz UTALEUBRPZMWQY-JTQLQIEISA-N 2 0 215.341 0.463 20 0 BCADRP [NH3+][C@@H](CNC(=O)C1([NH3+])CCC1)c1ccccc1 ZINC000566199500 322966995 /nfs/dbraw/zinc/96/69/95/322966995.db2.gz ADDXFCPAEZGEDA-NSHDSACASA-N 2 0 233.315 0.684 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000566206313 322969013 /nfs/dbraw/zinc/96/90/13/322969013.db2.gz WZPGPVVBXTXRSC-JFGNBEQYSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH+]1CCC(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000569579690 322971296 /nfs/dbraw/zinc/97/12/96/322971296.db2.gz TUXRWHRDBNRNNX-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000569600295 322972230 /nfs/dbraw/zinc/97/22/30/322972230.db2.gz CVGAHFTYZAWLDQ-UHFFFAOYSA-N 2 0 237.303 0.572 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000564994596 322992775 /nfs/dbraw/zinc/99/27/75/322992775.db2.gz DZUQLPYBARGDSY-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N(C)[C@@H]2CC[NH2+]C2)C1 ZINC000561182738 322996608 /nfs/dbraw/zinc/99/66/08/322996608.db2.gz OOXYMJABYVCVGS-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NCCC[NH2+]CC ZINC000561203623 322997076 /nfs/dbraw/zinc/99/70/76/322997076.db2.gz GUUMQGHSSLJJMF-LLVKDONJSA-N 2 0 244.383 0.803 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](O)[C@H]2CCOC2)C1 ZINC000566483446 323001401 /nfs/dbraw/zinc/00/14/01/323001401.db2.gz UIRFRHHHNQNXGV-WHOHXGKFSA-N 2 0 228.336 0.243 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](O)[C@@H]2CCOC2)C1 ZINC000566483447 323001459 /nfs/dbraw/zinc/00/14/59/323001459.db2.gz UIRFRHHHNQNXGV-WISYIIOYSA-N 2 0 228.336 0.243 20 0 BCADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc[nH]n1 ZINC000561971657 323009696 /nfs/dbraw/zinc/00/96/96/323009696.db2.gz PFGGVPDJCASKHI-UHFFFAOYSA-N 2 0 239.367 0.335 20 0 BCADRP C[C@@H]1C[C@H](C)[N@H+](CCn2cncn2)C[C@@H]1C[NH3+] ZINC000397479754 323017757 /nfs/dbraw/zinc/01/77/57/323017757.db2.gz LLDICWZQRXVMEI-WOPDTQHZSA-N 2 0 237.351 0.583 20 0 BCADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000397489216 323021265 /nfs/dbraw/zinc/02/12/65/323021265.db2.gz YFHPTMYRXFFLMR-UTUOFQBUSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000562805381 323030922 /nfs/dbraw/zinc/03/09/22/323030922.db2.gz OGFCSGRCTBVYJH-QWRGUYRKSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+][C@H](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000562804919 323031097 /nfs/dbraw/zinc/03/10/97/323031097.db2.gz HMRJWVHABVUSNA-ZDUSSCGKSA-N 2 0 247.342 0.378 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000562809312 323031102 /nfs/dbraw/zinc/03/11/02/323031102.db2.gz MZXHFTUHYYJKHN-MNOVXSKESA-N 2 0 227.352 0.489 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000562809314 323031132 /nfs/dbraw/zinc/03/11/32/323031132.db2.gz MZXHFTUHYYJKHN-WDEREUQCSA-N 2 0 227.352 0.489 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000562809527 323031238 /nfs/dbraw/zinc/03/12/38/323031238.db2.gz YFAHDVFQFCAORS-HBNTYKKESA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000569676910 323036574 /nfs/dbraw/zinc/03/65/74/323036574.db2.gz LOWUMPTZVVQZEC-NTZNESFSSA-N 2 0 241.379 0.866 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000322804342 323036723 /nfs/dbraw/zinc/03/67/23/323036723.db2.gz RINFOGGGTRFZTP-AEJSXWLSSA-N 2 0 213.325 0.371 20 0 BCADRP COCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397252277 323038542 /nfs/dbraw/zinc/03/85/42/323038542.db2.gz DAGZRZMUYRSAAU-AXFHLTTASA-N 2 0 200.326 0.938 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC)[C@H](C)C1 ZINC000569738337 323039319 /nfs/dbraw/zinc/03/93/19/323039319.db2.gz AWDRMPHOTXHAPS-FRRDWIJNSA-N 2 0 244.379 0.656 20 0 BCADRP COCCCN(C)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000569745382 323039711 /nfs/dbraw/zinc/03/97/11/323039711.db2.gz UYDPKSGVZKUCIE-QWHCGFSZSA-N 2 0 243.395 0.814 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000572986550 323040046 /nfs/dbraw/zinc/04/00/46/323040046.db2.gz LCSALVYNLTUJQJ-WDEREUQCSA-N 2 0 240.351 0.084 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000569808642 323041013 /nfs/dbraw/zinc/04/10/13/323041013.db2.gz BETFXWDWSKGVBB-SECBINFHSA-N 2 0 225.336 0.454 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000569821201 323041720 /nfs/dbraw/zinc/04/17/20/323041720.db2.gz ZOJHQAJABYIWMO-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@]1(C(=O)N2CC[NH+]3CCC2CC3)CCC[NH2+]1 ZINC000569848159 323042520 /nfs/dbraw/zinc/04/25/20/323042520.db2.gz ULMLJPBRTSYFEU-CYBMUJFWSA-N 2 0 237.347 0.435 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCCC[NH2+]CC ZINC000570072192 323049116 /nfs/dbraw/zinc/04/91/16/323049116.db2.gz KCVWAGDXWLLQFS-SNVBAGLBSA-N 2 0 215.341 0.490 20 0 BCADRP C[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000570082163 323049364 /nfs/dbraw/zinc/04/93/64/323049364.db2.gz SAEGKPWNZXQTDF-WCFLWFBJSA-N 2 0 242.363 0.335 20 0 BCADRP C[NH2+]CCC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000570089126 323049384 /nfs/dbraw/zinc/04/93/84/323049384.db2.gz WTLCGEMQBAVVPS-UHFFFAOYSA-N 2 0 236.319 0.691 20 0 BCADRP C[C@H](C[NH2+][C@@H](C)[C@H](C)O)CN1CC[NH+](C)CC1 ZINC000570082553 323049424 /nfs/dbraw/zinc/04/94/24/323049424.db2.gz MXLFSTKAHDMZMR-AGIUHOORSA-N 2 0 243.395 0.229 20 0 BCADRP CN(C(=O)CC[C@H]1CC[NH2+]C1)C1(C[NH3+])CCC1 ZINC000570094338 323049664 /nfs/dbraw/zinc/04/96/64/323049664.db2.gz XYVTYBODKASPCC-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP COC[C@@H](C)C[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000570144018 323050932 /nfs/dbraw/zinc/05/09/32/323050932.db2.gz ZJESGUHZCXLBMK-NWDGAFQWSA-N 2 0 230.352 0.627 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCCCC[NH2+]2)C[C@@H]1[NH3+] ZINC000570187942 323052317 /nfs/dbraw/zinc/05/23/17/323052317.db2.gz IEJSKOUPQDGDHT-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000570211982 323052911 /nfs/dbraw/zinc/05/29/11/323052911.db2.gz MNKSLTCRKSVIHJ-WCFLWFBJSA-N 2 0 247.342 0.882 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000570210844 323052919 /nfs/dbraw/zinc/05/29/19/323052919.db2.gz ZNNULBNAHXHCPG-HBNTYKKESA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000570395296 323057951 /nfs/dbraw/zinc/05/79/51/323057951.db2.gz JNXNLYJCVRPNBW-GARJFASQSA-N 2 0 244.383 0.752 20 0 BCADRP C[NH2+]Cc1cccc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)c1 ZINC000570397491 323058385 /nfs/dbraw/zinc/05/83/85/323058385.db2.gz NAHQOLOAHURVBK-NWDGAFQWSA-N 2 0 249.314 0.067 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000570448567 323059768 /nfs/dbraw/zinc/05/97/68/323059768.db2.gz JSLZGHUBMYTUJT-GARJFASQSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@]1(CN[C@H](CC[NH3+])C(F)F)CC[NH2+]C1 ZINC000570450455 323059912 /nfs/dbraw/zinc/05/99/12/323059912.db2.gz GFTBKZQEIRLYSZ-SCZZXKLOSA-N 2 0 221.295 0.558 20 0 BCADRP [NH3+]CCCCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000570449852 323059951 /nfs/dbraw/zinc/05/99/51/323059951.db2.gz GBONBDOZKBYRGO-SDDRHHMPSA-N 2 0 239.363 0.701 20 0 BCADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000570513372 323061853 /nfs/dbraw/zinc/06/18/53/323061853.db2.gz SMSKBEVKIAPMBQ-LOWVWBTDSA-N 2 0 237.347 0.102 20 0 BCADRP CCn1ncnc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000570582850 323064098 /nfs/dbraw/zinc/06/40/98/323064098.db2.gz LITWXUYTHXTIEX-VHSXEESVSA-N 2 0 223.324 0.658 20 0 BCADRP C[C@@H](C(=O)N1CCC2(CC[NH2+]2)CC1)[C@H](C)[NH3+] ZINC000570800060 323071050 /nfs/dbraw/zinc/07/10/50/323071050.db2.gz ICEGDWPQJVFGGM-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)c1coc(C[NH3+])c1)C(F)F ZINC000570800529 323071075 /nfs/dbraw/zinc/07/10/75/323071075.db2.gz RQNQBNRQJFGRDT-MRVPVSSYSA-N 2 0 247.245 0.451 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000570816517 323071693 /nfs/dbraw/zinc/07/16/93/323071693.db2.gz QCLIOJHQYNZFLX-LBPRGKRZSA-N 2 0 249.358 0.972 20 0 BCADRP CC(C)[NH2+]CCCN[C@H]1C[N@H+](C)C[C@@H]1C ZINC000570918475 323074316 /nfs/dbraw/zinc/07/43/16/323074316.db2.gz PGJTZEDQVLDDFD-RYUDHWBXSA-N 2 0 213.369 0.914 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000567814857 323087440 /nfs/dbraw/zinc/08/74/40/323087440.db2.gz GLEJUOQFWKUOGI-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+]CCOc1ccc(NC(=O)C2([NH3+])CCC2)cc1 ZINC000567814888 323087443 /nfs/dbraw/zinc/08/74/43/323087443.db2.gz IODIYCCECXDXPM-UHFFFAOYSA-N 2 0 249.314 0.844 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000040487105 323089884 /nfs/dbraw/zinc/08/98/84/323089884.db2.gz VCLGQFZCLYCOTD-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000567821663 323089916 /nfs/dbraw/zinc/08/99/16/323089916.db2.gz HFUNFJSJHHRDMK-IMSYWVGJSA-N 2 0 228.340 0.243 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000567838985 323091448 /nfs/dbraw/zinc/09/14/48/323091448.db2.gz DROVDQCEAVFXOM-LDYMZIIASA-N 2 0 239.294 0.331 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000563093217 323091816 /nfs/dbraw/zinc/09/18/16/323091816.db2.gz YGXQYIQPJBGJSD-NHCYSSNCSA-N 2 0 242.367 0.493 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(CC[NH+](C)C)C1CC1 ZINC000563097336 323092296 /nfs/dbraw/zinc/09/22/96/323092296.db2.gz UFIWEAWNFLSTDF-PWSUYJOCSA-N 2 0 239.363 0.537 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H]1CCC[NH2+]1 ZINC000563105623 323092655 /nfs/dbraw/zinc/09/26/55/323092655.db2.gz BHXWDNUWQZVQGU-GHMZBOCLSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000563107628 323092794 /nfs/dbraw/zinc/09/27/94/323092794.db2.gz KYPKSAYJJQPMDC-HAQNSBGRSA-N 2 0 241.379 0.867 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC[C@H](C)[NH3+] ZINC000563106960 323092802 /nfs/dbraw/zinc/09/28/02/323092802.db2.gz YUAIZWFDQIPWTA-DTWKUNHWSA-N 2 0 201.314 0.228 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000563108308 323092812 /nfs/dbraw/zinc/09/28/12/323092812.db2.gz NXGIGUHUXPGAON-AXFHLTTASA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000563110618 323092908 /nfs/dbraw/zinc/09/29/08/323092908.db2.gz ICDTZZIMNXASGK-MFKMUULPSA-N 2 0 247.342 0.955 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000563119131 323094016 /nfs/dbraw/zinc/09/40/16/323094016.db2.gz LEXPSAZYQZWAIX-AAEUAGOBSA-N 2 0 247.342 0.727 20 0 BCADRP C[C@@H]1C[C@@H](NC[C@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000563135569 323094659 /nfs/dbraw/zinc/09/46/59/323094659.db2.gz QREZUACTUNUMRS-GRYCIOLGSA-N 2 0 211.353 0.716 20 0 BCADRP CC(C)(C[NH3+])NC(=O)c1ccc(C[NH3+])cc1 ZINC000563142987 323095204 /nfs/dbraw/zinc/09/52/04/323095204.db2.gz SAYCXWYTTQXOFH-UHFFFAOYSA-N 2 0 221.304 0.612 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000563163823 323098570 /nfs/dbraw/zinc/09/85/70/323098570.db2.gz CJEVPBUTQZSFJC-UHFFFAOYSA-N 2 0 235.331 0.746 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000563164369 323099196 /nfs/dbraw/zinc/09/91/96/323099196.db2.gz MBIIKHHPTVPPQB-NQBHXWOUSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)CCC[NH3+])CC1 ZINC000570962771 323101811 /nfs/dbraw/zinc/10/18/11/323101811.db2.gz JFVJHWQCCIQJBH-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)C[NH2+]C2CC2)C[C@@H]1C[NH3+] ZINC000571037698 323104459 /nfs/dbraw/zinc/10/44/59/323104459.db2.gz IBZIGLVKOBLUHH-VWYCJHECSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000571046504 323105182 /nfs/dbraw/zinc/10/51/82/323105182.db2.gz KXHNRIQHTMQJJC-AEJSXWLSSA-N 2 0 211.309 0.077 20 0 BCADRP C[NH2+]C1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000563414371 323123351 /nfs/dbraw/zinc/12/33/51/323123351.db2.gz RXRQWAPIAFPTHP-UHFFFAOYSA-N 2 0 225.336 0.339 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)CC[NH2+]C1CC1 ZINC000563417581 323123586 /nfs/dbraw/zinc/12/35/86/323123586.db2.gz PPXZHEYPPGADCX-UHFFFAOYSA-N 2 0 227.352 0.633 20 0 BCADRP COc1ccnc(CN[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000563422676 323124295 /nfs/dbraw/zinc/12/42/95/323124295.db2.gz ACTAOVWJUMFKJZ-UWVGGRQHSA-N 2 0 236.319 0.845 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000563409594 323124462 /nfs/dbraw/zinc/12/44/62/323124462.db2.gz ATFILGLQWZGFTB-ZDUSSCGKSA-N 2 0 237.347 0.341 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000563451617 323126518 /nfs/dbraw/zinc/12/65/18/323126518.db2.gz NTWWFCQHGWLFSY-WDEREUQCSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000563452215 323126586 /nfs/dbraw/zinc/12/65/86/323126586.db2.gz XBHFLKYFSYANNU-LLVKDONJSA-N 2 0 227.352 0.490 20 0 BCADRP CCOC1CC(O)(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000563549651 323129896 /nfs/dbraw/zinc/12/98/96/323129896.db2.gz SEHVOOIMOMPPMQ-ZSVAQUKISA-N 2 0 242.363 0.776 20 0 BCADRP C[C@]1(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC000563622003 323132006 /nfs/dbraw/zinc/13/20/06/323132006.db2.gz CBIPRZAJRSBBRG-UPJWGTAASA-N 2 0 223.364 0.527 20 0 BCADRP [NH3+][C@H]1C[C@@H]2C[N@H+](CC3CCCC3)CCN2C1=O ZINC000563635877 323132709 /nfs/dbraw/zinc/13/27/09/323132709.db2.gz MCLLDIDUOPKOKU-NEPJUHHUSA-N 2 0 237.347 0.420 20 0 BCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@H]1CC[NH2+]C1 ZINC000563637025 323133349 /nfs/dbraw/zinc/13/33/49/323133349.db2.gz NRXUNIKEESVIAJ-QWRGUYRKSA-N 2 0 240.351 0.037 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000571178891 323137164 /nfs/dbraw/zinc/13/71/64/323137164.db2.gz SLZLRSBBKHFGGD-GMTAPVOTSA-N 2 0 223.324 0.526 20 0 BCADRP [NH3+]CCCC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000571165900 323137265 /nfs/dbraw/zinc/13/72/65/323137265.db2.gz UDBYGTUGJMNNMK-JTQLQIEISA-N 2 0 248.330 0.575 20 0 BCADRP [NH3+][C@H]1CCC[C@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000571432005 323144679 /nfs/dbraw/zinc/14/46/79/323144679.db2.gz AHHOAZOIXUCMHU-UWVGGRQHSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000161042675 323144813 /nfs/dbraw/zinc/14/48/13/323144813.db2.gz XEUJJHUGVQHZPJ-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)C1CC[NH2+]CC1 ZINC000571440036 323145062 /nfs/dbraw/zinc/14/50/62/323145062.db2.gz SQYJNVYXMQXPBO-LLVKDONJSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000161070934 323145734 /nfs/dbraw/zinc/14/57/34/323145734.db2.gz CKFNOXUYXZICOX-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)[NH+]1CCCC1 ZINC000161095965 323146311 /nfs/dbraw/zinc/14/63/11/323146311.db2.gz HHHXWCPKIHXIST-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000571522854 323146803 /nfs/dbraw/zinc/14/68/03/323146803.db2.gz MTDUXCFWSOGOIC-VWYCJHECSA-N 2 0 225.336 0.230 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000571560559 323147878 /nfs/dbraw/zinc/14/78/78/323147878.db2.gz NWIARLIWAIJXQA-SFYZADRCSA-N 2 0 235.278 0.179 20 0 BCADRP C[NH2+]CC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000571558507 323147956 /nfs/dbraw/zinc/14/79/56/323147956.db2.gz XXOIEZQPEXHEOZ-SNVBAGLBSA-N 2 0 227.352 0.395 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000571560561 323147958 /nfs/dbraw/zinc/14/79/58/323147958.db2.gz NWIARLIWAIJXQA-YUMQZZPRSA-N 2 0 235.278 0.179 20 0 BCADRP CN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1=O ZINC000572856067 323149303 /nfs/dbraw/zinc/14/93/03/323149303.db2.gz WPWLXGMPIQJMSR-AXFHLTTASA-N 2 0 225.336 0.467 20 0 BCADRP C[C@]1(CNC[C@@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000414900550 323151890 /nfs/dbraw/zinc/15/18/90/323151890.db2.gz DWBYTMOKSKSADM-OLZOCXBDSA-N 2 0 225.380 0.965 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000040924407 323158287 /nfs/dbraw/zinc/15/82/87/323158287.db2.gz QQCBJPWPYDCACE-UHFFFAOYSA-N 2 0 239.363 0.811 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000563716583 323175357 /nfs/dbraw/zinc/17/53/57/323175357.db2.gz YHALTMQKZZGODP-DTWKUNHWSA-N 2 0 249.305 0.617 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000563810190 323178455 /nfs/dbraw/zinc/17/84/55/323178455.db2.gz JJKFNICNOFGCPQ-MNOVXSKESA-N 2 0 227.352 0.762 20 0 BCADRP C[C@@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)C1C[NH2+]C1 ZINC000563885586 323183287 /nfs/dbraw/zinc/18/32/87/323183287.db2.gz CBUOGQMLOFKBIQ-SKDRFNHKSA-N 2 0 239.363 0.476 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)C[NH3+] ZINC000518941717 323188924 /nfs/dbraw/zinc/18/89/24/323188924.db2.gz YVXCZLCFZFHUOT-NXEZZACHSA-N 2 0 228.340 0.069 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)CC[NH3+] ZINC000309020763 323190325 /nfs/dbraw/zinc/19/03/25/323190325.db2.gz WUBGLXCEDPOEAA-BDAKNGLRSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@H]1CC[NH+](C)C1 ZINC000535824950 323192627 /nfs/dbraw/zinc/19/26/27/323192627.db2.gz RCCSDGMZGLJANH-UTUOFQBUSA-N 2 0 239.363 0.489 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H](C)CC[NH3+] ZINC000309021987 323194638 /nfs/dbraw/zinc/19/46/38/323194638.db2.gz XSQKAUKOBHWBAX-SECBINFHSA-N 2 0 201.314 0.228 20 0 BCADRP C[C@@H](CNC(=O)C1(C)C[NH2+]C1)[NH+]1CCCC1 ZINC000399232523 323200976 /nfs/dbraw/zinc/20/09/76/323200976.db2.gz GJZDPSPBYKBBSJ-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP C[NH+](C)C1(CNC(=O)C2(C)C[NH2+]C2)CCCC1 ZINC000399256664 323202143 /nfs/dbraw/zinc/20/21/43/323202143.db2.gz RCNSCBKYWKLMMB-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[NH2+]CC1)[C@@H](C)[NH3+] ZINC000399408268 323205919 /nfs/dbraw/zinc/20/59/19/323205919.db2.gz CUAYJRLUOLYHQK-ZJUUUORDSA-N 2 0 213.325 0.038 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530216870 323217329 /nfs/dbraw/zinc/21/73/29/323217329.db2.gz QSIBBZCXLBPGDW-SDDRHHMPSA-N 2 0 223.364 0.988 20 0 BCADRP CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000324590351 323241888 /nfs/dbraw/zinc/24/18/88/323241888.db2.gz DMLXGWLJXOTPEJ-MNOVXSKESA-N 2 0 214.353 0.983 20 0 BCADRP CC[C@H]([NH2+]C[C@H](O)CN(C)C)C1CCOCC1 ZINC000532515939 323272371 /nfs/dbraw/zinc/27/23/71/323272371.db2.gz VAWLQIRGWKPANP-STQMWFEESA-N 2 0 244.379 0.704 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C[NH2+]C1CC1 ZINC000563945650 323330200 /nfs/dbraw/zinc/33/02/00/323330200.db2.gz CBHOVTLIIUVOLS-KOLCDFICSA-N 2 0 225.336 0.467 20 0 BCADRP C[NH2+]CC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000563958161 323331868 /nfs/dbraw/zinc/33/18/68/323331868.db2.gz SBWJZGKBRBYRGG-CYBMUJFWSA-N 3 0 225.380 0.917 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CCO)C(C)C ZINC000309294458 323341231 /nfs/dbraw/zinc/34/12/31/323341231.db2.gz WRNRAYAHMTWOBV-RYUDHWBXSA-N 2 0 232.368 0.296 20 0 BCADRP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000571679441 323342615 /nfs/dbraw/zinc/34/26/15/323342615.db2.gz JAJATOCRZWVJHZ-GRYCIOLGSA-N 2 0 237.347 0.100 20 0 BCADRP COCC[C@H](COC)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000309346268 323345310 /nfs/dbraw/zinc/34/53/10/323345310.db2.gz MGWHAXDDANLPHV-IJLUTSLNSA-N 2 0 230.352 0.897 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000571683211 323346603 /nfs/dbraw/zinc/34/66/03/323346603.db2.gz GCWIPNJUJHAURL-JOYOIKCWSA-N 2 0 237.347 0.480 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCC[NH3+])C1 ZINC000309378255 323349272 /nfs/dbraw/zinc/34/92/72/323349272.db2.gz CYYOKYDRJGKSPA-UWVGGRQHSA-N 2 0 213.325 0.311 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000309401559 323380682 /nfs/dbraw/zinc/38/06/82/323380682.db2.gz HKYJNQMILAJGFH-KOLCDFICSA-N 2 0 215.341 0.603 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NC[C@H]([NH3+])C(C)C ZINC000418400091 323391889 /nfs/dbraw/zinc/39/18/89/323391889.db2.gz GRSXDFCMAWSCFC-IUCAKERBSA-N 2 0 216.329 0.006 20 0 BCADRP C[C@H](C(=O)N1CCCC[C@@H]1C[NH3+])C1C[NH2+]C1 ZINC000571797790 323482718 /nfs/dbraw/zinc/48/27/18/323482718.db2.gz YOZSTNGMVDINTB-GXSJLCMTSA-N 2 0 225.336 0.182 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000572015989 323518095 /nfs/dbraw/zinc/51/80/95/323518095.db2.gz ZMGUZDNKYVMBDQ-WDEREUQCSA-N 2 0 242.367 0.494 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000572035680 323528216 /nfs/dbraw/zinc/52/82/16/323528216.db2.gz KLRXIQAFFHMENL-UWVGGRQHSA-N 2 0 225.336 0.087 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000041680161 487959293 /nfs/dbraw/zinc/95/92/93/487959293.db2.gz QEIOTPZNIZKVBS-UWVGGRQHSA-N 2 0 215.341 0.570 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C[NH3+])C1 ZINC000083889430 487959852 /nfs/dbraw/zinc/95/98/52/487959852.db2.gz OXBNGOAVAARVKY-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP COCCCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000158505080 487961158 /nfs/dbraw/zinc/96/11/58/487961158.db2.gz CJTPYWKQGHXYNK-UHFFFAOYSA-N 2 0 229.368 0.250 20 0 BCADRP O[C@@H](C[NH2+]CCC1CC1)C[NH+]1CCCC1 ZINC000083894808 487961297 /nfs/dbraw/zinc/96/12/97/487961297.db2.gz MCZPWHGREPAJOF-LBPRGKRZSA-N 2 0 212.337 0.833 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCCC1CC[NH+](C)CC1 ZINC000122178586 324032725 /nfs/dbraw/zinc/03/27/25/324032725.db2.gz BEUTTZWZOVQVHK-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000122200192 324034276 /nfs/dbraw/zinc/03/42/76/324034276.db2.gz PHYILMJHJZDHGR-SRVKXCTJSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000572485136 324126569 /nfs/dbraw/zinc/12/65/69/324126569.db2.gz IVBBBSDDIDWUTG-QXEWZRGKSA-N 2 0 213.325 0.228 20 0 BCADRP CC[NH2+]CCCNC(=O)c1ccccc1CC[NH3+] ZINC000572492553 324131208 /nfs/dbraw/zinc/13/12/08/324131208.db2.gz FIJCIKCGMAADPW-UHFFFAOYSA-N 2 0 249.358 0.917 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)CC[NH2+]C1CC1 ZINC000572496615 324133349 /nfs/dbraw/zinc/13/33/49/324133349.db2.gz QOCUBZZKCKDBHJ-JTQLQIEISA-N 2 0 227.352 0.762 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH2+]C1CC1 ZINC000572496702 324133392 /nfs/dbraw/zinc/13/33/92/324133392.db2.gz UGXSLCJTBOHBHL-PWSUYJOCSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CC(C)C1 ZINC000565181355 324205840 /nfs/dbraw/zinc/20/58/40/324205840.db2.gz NQUXQZZYWDSTCN-RYUDHWBXSA-N 2 0 239.363 0.489 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CO)[C@H](C)C1 ZINC000123309351 324221898 /nfs/dbraw/zinc/22/18/98/324221898.db2.gz BYPJZLPKGFKBCN-OUAUKWLOSA-N 2 0 200.326 0.687 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)CC[NH3+] ZINC000529337831 324276297 /nfs/dbraw/zinc/27/62/97/324276297.db2.gz QBEKSLFMINTGSN-MNOVXSKESA-N 2 0 242.367 0.363 20 0 BCADRP CC[N@@H+]1CC[C@H](NC(=O)Cn2cncc2C)C1 ZINC000529492718 324313606 /nfs/dbraw/zinc/31/36/06/324313606.db2.gz PKVIHHOQWPBZFK-NSHDSACASA-N 2 0 236.319 0.402 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCN(C)C1=O ZINC000530217387 324533602 /nfs/dbraw/zinc/53/36/02/324533602.db2.gz GUESMERFEOYWGM-AEJSXWLSSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H](NC[C@@H]1COCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000530227414 324547624 /nfs/dbraw/zinc/54/76/24/324547624.db2.gz XJAQAKCSIKHEEA-QJPTWQEYSA-N 2 0 227.352 0.095 20 0 BCADRP c1cc2c(cc1N[C@@H]1CC[NH2+]C1)OCC[NH2+]C2 ZINC000530246497 324557143 /nfs/dbraw/zinc/55/71/43/324557143.db2.gz IEIJBQYXLWFDGX-GFCCVEGCSA-N 2 0 233.315 0.942 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH3+])C1 ZINC000083913558 487966380 /nfs/dbraw/zinc/96/63/80/487966380.db2.gz PONUEABQBSHYSK-SECBINFHSA-N 2 0 227.352 0.713 20 0 BCADRP CCCN(C(=O)[C@H]([NH3+])CC)C1CC[NH2+]CC1 ZINC000130251586 325030152 /nfs/dbraw/zinc/03/01/52/325030152.db2.gz MEDBHDJWBIMFDT-LLVKDONJSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000131683189 325177270 /nfs/dbraw/zinc/17/72/70/325177270.db2.gz MGUVALOOWCQXOE-GMTAPVOTSA-N 2 0 225.336 0.372 20 0 BCADRP C[N@H+](CCNc1cc[nH+]cc1C(N)=O)C1CC1 ZINC000545157177 325180903 /nfs/dbraw/zinc/18/09/03/325180903.db2.gz CDTWQEUSZPZTDT-UHFFFAOYSA-N 2 0 234.303 0.109 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000131870282 325188261 /nfs/dbraw/zinc/18/82/61/325188261.db2.gz JTSWTDYVSXZGJI-YPMHNXCESA-N 2 0 249.358 0.528 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000131923925 325191324 /nfs/dbraw/zinc/19/13/24/325191324.db2.gz LNDHMYNZXRPDNJ-MXWKQRLJSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H](O)CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000133697174 325310698 /nfs/dbraw/zinc/31/06/98/325310698.db2.gz LIKSHQMZLVBYJP-MXWKQRLJSA-N 2 0 200.326 0.687 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC1=CC[NH2+]CC1 ZINC000564327918 325383330 /nfs/dbraw/zinc/38/33/30/325383330.db2.gz FWYVWMBUKNMYEY-GFCCVEGCSA-N 2 0 225.336 0.540 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000553158360 325678777 /nfs/dbraw/zinc/67/87/77/325678777.db2.gz VOOHOUNJPOILOS-NEPJUHHUSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@H](C(=O)N[C@@H](C)CC[NH+](C)C)[NH+]1CC(C)C1 ZINC000553158361 325679022 /nfs/dbraw/zinc/67/90/22/325679022.db2.gz VOOHOUNJPOILOS-NWDGAFQWSA-N 2 0 241.379 0.783 20 0 BCADRP CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158637247 487969915 /nfs/dbraw/zinc/96/99/15/487969915.db2.gz RNIOBQQSIHGYID-IJLUTSLNSA-N 2 0 212.337 0.974 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1ccnc(C[NH3+])c1 ZINC000564957161 325825214 /nfs/dbraw/zinc/82/52/14/325825214.db2.gz CNMYIGBCAINQFK-YUMQZZPRSA-N 2 0 222.292 0.006 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCC[NH2+]1 ZINC000564992938 325841073 /nfs/dbraw/zinc/84/10/73/325841073.db2.gz JNCGORCMAOZQKP-STQMWFEESA-N 2 0 237.347 0.341 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CC[NH2+]C1)[C@@H](C)[NH3+] ZINC000565250971 325887560 /nfs/dbraw/zinc/88/75/60/325887560.db2.gz VLQJVJUSLZRQEV-UTLUCORTSA-N 2 0 213.325 0.084 20 0 BCADRP CC1(C)CC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000565298497 325891407 /nfs/dbraw/zinc/89/14/07/325891407.db2.gz UWJGVYUOJOYJOS-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000565421602 325908815 /nfs/dbraw/zinc/90/88/15/325908815.db2.gz ZLDWWJVPJBAEIJ-MNOVXSKESA-N 2 0 221.304 0.540 20 0 BCADRP CN(C(=O)CC[NH2+]C1CC1)C1CC([NH3+])C1 ZINC000565607007 325934090 /nfs/dbraw/zinc/93/40/90/325934090.db2.gz FOKUMOHYOZFDGC-UHFFFAOYSA-N 2 0 211.309 0.077 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000566191730 326009582 /nfs/dbraw/zinc/00/95/82/326009582.db2.gz CFZPIHWXSAMBPN-KXUCPTDWSA-N 2 0 230.356 0.409 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000566200924 326012083 /nfs/dbraw/zinc/01/20/83/326012083.db2.gz KLGKOAJXDZQGJD-GMTAPVOTSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000566203292 326012344 /nfs/dbraw/zinc/01/23/44/326012344.db2.gz DOUZGUYBIFRISI-WDEREUQCSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]([NH3+])C(C)C)C1 ZINC000566203554 326012539 /nfs/dbraw/zinc/01/25/39/326012539.db2.gz MGLYDUHMNSNTNF-GHMZBOCLSA-N 2 0 227.352 0.428 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000566205891 326013027 /nfs/dbraw/zinc/01/30/27/326013027.db2.gz LERXDNPXPTUPAO-USZNOCQGSA-N 2 0 237.347 0.052 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000566206059 326013087 /nfs/dbraw/zinc/01/30/87/326013087.db2.gz MDHGRDMRDRSPJC-WDEREUQCSA-N 2 0 227.352 0.631 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000566210065 326013640 /nfs/dbraw/zinc/01/36/40/326013640.db2.gz YJJFZUUKVZKNLR-CHWFTXMASA-N 2 0 225.336 0.241 20 0 BCADRP CC[C@H](O)C[NH2+]C[C@@H]1CCCCN1CCO ZINC000566230653 326019224 /nfs/dbraw/zinc/01/92/24/326019224.db2.gz AJSDQUQLBFGKRN-RYUDHWBXSA-N 2 0 230.352 0.194 20 0 BCADRP C[C@@]1(C(=O)NCc2ccc(C[NH3+])cc2)CC[NH2+]C1 ZINC000566257565 326025727 /nfs/dbraw/zinc/02/57/27/326025727.db2.gz WGBAYPABCWTRLR-CQSZACIVSA-N 2 0 247.342 0.761 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000566293721 326029726 /nfs/dbraw/zinc/02/97/26/326029726.db2.gz BSVXDQOORZSEKP-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(COC)CC1 ZINC000566350904 326035094 /nfs/dbraw/zinc/03/50/94/326035094.db2.gz COGWWCMXOLCTMM-GFCCVEGCSA-N 2 0 230.352 0.315 20 0 BCADRP C[C@@H]1CC[N@H+](CC(=O)N2CCn3cncc3C2)C1 ZINC000566452823 326050285 /nfs/dbraw/zinc/05/02/85/326050285.db2.gz PZVGQKKPNDBLKX-LLVKDONJSA-N 2 0 248.330 0.567 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)c1conc1C(C)(C)[NH3+] ZINC000566468756 326051981 /nfs/dbraw/zinc/05/19/81/326051981.db2.gz CDJMKCQABZMARF-SSDOTTSWSA-N 2 0 240.307 0.336 20 0 BCADRP CC(C)COC[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000566481881 326055689 /nfs/dbraw/zinc/05/56/89/326055689.db2.gz HNGTUVKRBQICQA-FRRDWIJNSA-N 2 0 244.379 0.879 20 0 BCADRP CC[C@]1(C(=O)N[C@H](C)CCC[NH3+])CCC[NH2+]1 ZINC000566621008 326068949 /nfs/dbraw/zinc/06/89/49/326068949.db2.gz RMIQZPFQEQXCSM-ZYHUDNBSSA-N 2 0 227.352 0.762 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000566678753 326073664 /nfs/dbraw/zinc/07/36/64/326073664.db2.gz JLLMYQMDIYQLSH-TUAOUCFPSA-N 2 0 239.363 0.666 20 0 BCADRP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@]12C[C@H]1CC[NH2+]2 ZINC000566791756 326082807 /nfs/dbraw/zinc/08/28/07/326082807.db2.gz ORXHNVPNEGAWLU-MDZLAQPJSA-N 2 0 237.347 0.387 20 0 BCADRP C[NH+](C)Cc1ccnc(NC(=O)C(C)(C)[NH3+])c1 ZINC000566853091 326087649 /nfs/dbraw/zinc/08/76/49/326087649.db2.gz FUSZUWIVFHOMMV-UHFFFAOYSA-N 2 0 236.319 0.819 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000566913303 326093541 /nfs/dbraw/zinc/09/35/41/326093541.db2.gz XILVMSGSBLFKOY-NXEZZACHSA-N 2 0 244.383 0.929 20 0 BCADRP C[C@@]1(CN2CCCO[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000566916178 326093949 /nfs/dbraw/zinc/09/39/49/326093949.db2.gz VQSIQGBPMGHIHC-VXGBXAGGSA-N 2 0 227.352 0.036 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000567108376 326113703 /nfs/dbraw/zinc/11/37/03/326113703.db2.gz KNOGCDBRFPOZQI-VWYCJHECSA-N 2 0 225.336 0.182 20 0 BCADRP NC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000567179798 326130587 /nfs/dbraw/zinc/13/05/87/326130587.db2.gz VDPFFPPPJLMKEF-LNFKQOIKSA-N 2 0 225.336 0.500 20 0 BCADRP COC[C@H]1CCN1C[C@@H](O)C[N@H+](C)C(C)C ZINC000567179849 326130747 /nfs/dbraw/zinc/13/07/47/326130747.db2.gz WTHAQAOGXJBSER-NEPJUHHUSA-N 2 0 230.352 0.408 20 0 BCADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)COC)CC1 ZINC000154327033 326139826 /nfs/dbraw/zinc/13/98/26/326139826.db2.gz NMWAESOMFDOEQZ-ZDUSSCGKSA-N 2 0 243.395 0.639 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000567383899 326180629 /nfs/dbraw/zinc/18/06/29/326180629.db2.gz DHFMWMQJJJXVGG-VIFPVBQESA-N 2 0 213.325 0.100 20 0 BCADRP CN(C(=O)[C@H]1C[C@@]12CC[NH2+]C2)C1CC[NH2+]CC1 ZINC000567500845 326203886 /nfs/dbraw/zinc/20/38/86/326203886.db2.gz QDOSSURRCZVQGR-DGCLKSJQSA-N 2 0 237.347 0.196 20 0 BCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C)C1 ZINC000155671945 326206629 /nfs/dbraw/zinc/20/66/29/326206629.db2.gz SGJIBCANTVMYQU-LBPRGKRZSA-N 2 0 241.379 0.642 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000156171956 326221349 /nfs/dbraw/zinc/22/13/49/326221349.db2.gz COHZOHIZHCXMBH-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC[NH2+]1 ZINC000567587107 326223361 /nfs/dbraw/zinc/22/33/61/326223361.db2.gz ZZCCYKIZDGSPMU-FIQHERPVSA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000567589742 326224592 /nfs/dbraw/zinc/22/45/92/326224592.db2.gz CEFKUWPQATZCCS-ZJUUUORDSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@@H](C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[C@H](C)[NH3+] ZINC000567604979 326227246 /nfs/dbraw/zinc/22/72/46/326227246.db2.gz WXTFJHJRTVEBFZ-WCABBAIRSA-N 2 0 225.336 0.323 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000567654814 326239439 /nfs/dbraw/zinc/23/94/39/326239439.db2.gz IHOLXDQUTWSMOT-LVEVGFFFSA-N 2 0 209.337 0.454 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000567655664 326239582 /nfs/dbraw/zinc/23/95/82/326239582.db2.gz KWOWLNMCJRHNEM-QCNOEVLYSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000567655663 326239829 /nfs/dbraw/zinc/23/98/29/326239829.db2.gz KWOWLNMCJRHNEM-KKOKHZNYSA-N 2 0 239.363 0.631 20 0 BCADRP O=C(C1CC[NH+](C2CC2)CC1)N1CC[NH2+]CC1 ZINC000567754641 326255807 /nfs/dbraw/zinc/25/58/07/326255807.db2.gz AIIJAICCAUSLMB-UHFFFAOYSA-N 2 0 237.347 0.293 20 0 BCADRP C[NH2+]CCC(=O)NCC[NH2+]C(C)(C)C ZINC000567811413 326260982 /nfs/dbraw/zinc/26/09/82/326260982.db2.gz DXXNSEVIVOPINQ-UHFFFAOYSA-N 2 0 201.314 0.100 20 0 BCADRP C[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000567814940 326262006 /nfs/dbraw/zinc/26/20/06/326262006.db2.gz LZOBQBCQXHKYHD-MRVPVSSYSA-N 2 0 223.276 0.310 20 0 BCADRP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@H]2O)CCCO1 ZINC000313349206 326263905 /nfs/dbraw/zinc/26/39/05/326263905.db2.gz LLPAAIZVDDVYRB-YNEHKIRRSA-N 2 0 242.363 0.587 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000567824909 326264441 /nfs/dbraw/zinc/26/44/41/326264441.db2.gz KMZSXLCNDHHTKP-SNVBAGLBSA-N 2 0 239.363 0.680 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)NCC[C@@H]1CC[NH2+]C1 ZINC000567828901 326264874 /nfs/dbraw/zinc/26/48/74/326264874.db2.gz QRJGCKNAHPPMJM-RYUDHWBXSA-N 2 0 239.363 0.492 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)NCC[C@H]1CC[NH2+]C1 ZINC000567828902 326264962 /nfs/dbraw/zinc/26/49/62/326264962.db2.gz QRJGCKNAHPPMJM-VXGBXAGGSA-N 2 0 239.363 0.492 20 0 BCADRP [NH3+]Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)co1 ZINC000567834560 326266168 /nfs/dbraw/zinc/26/61/68/326266168.db2.gz BCVMYRRSIFMTIP-SECBINFHSA-N 2 0 237.303 0.468 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000567834641 326266186 /nfs/dbraw/zinc/26/61/86/326266186.db2.gz QTMFYODHYVFKOO-JQWIXIFHSA-N 2 0 235.331 0.930 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000567837250 326267074 /nfs/dbraw/zinc/26/70/74/326267074.db2.gz HJWXTVPGAXZPTB-DCAQKATOSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000567839051 326267905 /nfs/dbraw/zinc/26/79/05/326267905.db2.gz PUWGSBYNXNAMLA-TUAOUCFPSA-N 2 0 241.379 0.866 20 0 BCADRP [NH3+]CCCN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000567871041 326273972 /nfs/dbraw/zinc/27/39/72/326273972.db2.gz LDDHFWSDUMWVIJ-LBPRGKRZSA-N 2 0 220.320 0.377 20 0 BCADRP CCCN(C(=O)[C@H]1C[C@@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000567902837 326280025 /nfs/dbraw/zinc/28/00/25/326280025.db2.gz LTXFVYKABXVAMX-PHIMTYICSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000567908781 326281389 /nfs/dbraw/zinc/28/13/89/326281389.db2.gz LMGYDWLBOHNZHV-OUAUKWLOSA-N 2 0 225.336 0.357 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000567925537 326284161 /nfs/dbraw/zinc/28/41/61/326284161.db2.gz OASMBNLCYJVDEP-JXUBOQSCSA-N 2 0 215.341 0.602 20 0 BCADRP CC(C)[NH2+][C@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000568103829 326308523 /nfs/dbraw/zinc/30/85/23/326308523.db2.gz MUDINOUBJPWYNG-JTQLQIEISA-N 2 0 241.335 0.064 20 0 BCADRP CC(C)N1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000568208023 326326253 /nfs/dbraw/zinc/32/62/53/326326253.db2.gz SDGRNJNBQVTZJQ-NSHDSACASA-N 2 0 239.363 0.537 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000568236139 326331708 /nfs/dbraw/zinc/33/17/08/326331708.db2.gz BEXSPWXBDLDXHP-WCBMZHEXSA-N 2 0 213.325 0.051 20 0 BCADRP NC(=O)C1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000568249088 326334621 /nfs/dbraw/zinc/33/46/21/326334621.db2.gz HFRTVWCTQKAJBV-MNOVXSKESA-N 2 0 239.363 0.892 20 0 BCADRP CNC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158657002 326335630 /nfs/dbraw/zinc/33/56/30/326335630.db2.gz AGQBJCSMCKNRAW-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP FC(F)[C@@H]1C[NH2+]CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000568512141 326361293 /nfs/dbraw/zinc/36/12/93/326361293.db2.gz IPWLQEWEWLRMED-QWRGUYRKSA-N 2 0 247.333 0.915 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000568620412 326367688 /nfs/dbraw/zinc/36/76/88/326367688.db2.gz ZBTABISDLHHQIB-GARJFASQSA-N 2 0 227.352 0.476 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000568746046 326374556 /nfs/dbraw/zinc/37/45/56/326374556.db2.gz BOFLHJWUASFQAY-GFCCVEGCSA-N 2 0 247.342 0.875 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000568770227 326376823 /nfs/dbraw/zinc/37/68/23/326376823.db2.gz YIUPNPZDZXVOFC-LLVKDONJSA-N 2 0 225.336 0.337 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000568882049 326381151 /nfs/dbraw/zinc/38/11/51/326381151.db2.gz QCIKQZQHWIFYIW-QJPTWQEYSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000568882040 326381191 /nfs/dbraw/zinc/38/11/91/326381191.db2.gz QCIKQZQHWIFYIW-IJLUTSLNSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]([NH3+])CC(F)F ZINC000568987034 326384950 /nfs/dbraw/zinc/38/49/50/326384950.db2.gz WUWWXALSZZWTSH-BDNRQGISSA-N 2 0 249.305 0.472 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]([NH3+])CC(F)F ZINC000568987037 326384965 /nfs/dbraw/zinc/38/49/65/326384965.db2.gz WUWWXALSZZWTSH-DQUBFYRCSA-N 2 0 249.305 0.472 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000568999323 326386017 /nfs/dbraw/zinc/38/60/17/326386017.db2.gz AWYKALAIPSFFIY-AXFHLTTASA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC000569004615 326386417 /nfs/dbraw/zinc/38/64/17/326386417.db2.gz HZSIJAIVKOWWTD-QWRGUYRKSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000569230407 326395285 /nfs/dbraw/zinc/39/52/85/326395285.db2.gz WNBNJEXCSGXQDN-NOOOWODRSA-N 2 0 241.379 0.768 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000569219294 326395643 /nfs/dbraw/zinc/39/56/43/326395643.db2.gz NXCSLBFYMMLYLZ-PWSUYJOCSA-N 2 0 225.336 0.054 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1c[nH+]ccc1N ZINC000569223337 326395946 /nfs/dbraw/zinc/39/59/46/326395946.db2.gz ZVGWPROZWLONRY-DTWKUNHWSA-N 2 0 234.303 0.303 20 0 BCADRP C[C@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000569223075 326396021 /nfs/dbraw/zinc/39/60/21/326396021.db2.gz TWBZZOFSQOAACT-UKKRHICBSA-N 2 0 225.336 0.167 20 0 BCADRP O=C([C@H]1CC[NH2+]C1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370788844 487973863 /nfs/dbraw/zinc/97/38/63/487973863.db2.gz SJOGAFRQQCANBW-JTQLQIEISA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)[C@@H](C(=O)N(C)CCC[NH3+])[NH+](C)C ZINC000158774949 487975329 /nfs/dbraw/zinc/97/53/29/487975329.db2.gz NDZZJLUYSNFRJF-JTQLQIEISA-N 2 0 215.341 0.380 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000446399006 487980052 /nfs/dbraw/zinc/98/00/52/487980052.db2.gz SSOHFEROPGRBEQ-NAKRPEOUSA-N 2 0 227.352 0.746 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000446399007 487980076 /nfs/dbraw/zinc/98/00/76/487980076.db2.gz SSOHFEROPGRBEQ-VLEAKVRGSA-N 2 0 227.352 0.746 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000446411171 487980923 /nfs/dbraw/zinc/98/09/23/487980923.db2.gz FKNAKYCCKMAQLH-SCVCMEIPSA-N 2 0 227.352 0.890 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000446411170 487980957 /nfs/dbraw/zinc/98/09/57/487980957.db2.gz FKNAKYCCKMAQLH-NHCYSSNCSA-N 2 0 227.352 0.890 20 0 BCADRP [NH3+]CCCCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418401442 487991112 /nfs/dbraw/zinc/99/11/12/487991112.db2.gz GNGRVEBKISYMFH-GHMZBOCLSA-N 2 0 242.367 0.542 20 0 BCADRP C[C@H]1CN(C(=O)CC2([NH3+])CCC2)C[C@H](C)[NH2+]1 ZINC000154143436 487991649 /nfs/dbraw/zinc/99/16/49/487991649.db2.gz YQPUSDJPGSJRBT-UWVGGRQHSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CCC[NH3+] ZINC000123349673 487993778 /nfs/dbraw/zinc/99/37/78/487993778.db2.gz IDTYZWSXERUDPO-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP CC[N@@H+]1CCN(Cc2ncc[nH]2)C[C@H]1C ZINC000677191793 487994129 /nfs/dbraw/zinc/99/41/29/487994129.db2.gz LHIUOCHKWOGOKS-SNVBAGLBSA-N 2 0 208.309 0.936 20 0 BCADRP CC[N@@H+]1CCN(Cc2ncc[nH]2)C[C@@H]1C ZINC000677191792 487995255 /nfs/dbraw/zinc/99/52/55/487995255.db2.gz LHIUOCHKWOGOKS-JTQLQIEISA-N 2 0 208.309 0.936 20 0 BCADRP CC(C)OCC[C@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000682615952 488002874 /nfs/dbraw/zinc/00/28/74/488002874.db2.gz XMNSCZQQEAJPEE-AVGNSLFASA-N 2 0 242.363 0.314 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)CO ZINC000643475011 488016131 /nfs/dbraw/zinc/01/61/31/488016131.db2.gz OGUSNISNYOGNDR-GHMZBOCLSA-N 2 0 214.353 0.983 20 0 BCADRP CC[C@H]1CN(CC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000147436843 488023436 /nfs/dbraw/zinc/02/34/36/488023436.db2.gz XSWUYOAFIQPLHK-ONGXEEELSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC1CC[NH+](C)CC1 ZINC000044526677 488030749 /nfs/dbraw/zinc/03/07/49/488030749.db2.gz XVMFJLHULYBVTK-UHFFFAOYSA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000084166804 488031463 /nfs/dbraw/zinc/03/14/63/488031463.db2.gz IXIHMSBWESZINM-WDEREUQCSA-N 2 0 239.363 0.857 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000310499354 488033540 /nfs/dbraw/zinc/03/35/40/488033540.db2.gz HMXQXMLUZWTKMO-XQQFMLRXSA-N 2 0 244.379 0.845 20 0 BCADRP Cc1ccncc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000135499598 488037851 /nfs/dbraw/zinc/03/78/51/488037851.db2.gz FLBNLZAEGCIBNX-UHFFFAOYSA-N 2 0 248.374 0.727 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655450427 488041133 /nfs/dbraw/zinc/04/11/33/488041133.db2.gz NQHDWLPMCDZLTC-GVXVVHGQSA-N 2 0 237.347 0.244 20 0 BCADRP CCC[NH2+]CCNC(=O)CC[NH2+]C1CC1 ZINC000655450605 488042550 /nfs/dbraw/zinc/04/25/50/488042550.db2.gz UGTFVVFAMKXSJZ-UHFFFAOYSA-N 2 0 213.325 0.244 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655450682 488042282 /nfs/dbraw/zinc/04/22/82/488042282.db2.gz WZAUKADPTNBRKS-DMDPSCGWSA-N 2 0 237.347 0.196 20 0 BCADRP CCn1nccc1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000670072750 488045131 /nfs/dbraw/zinc/04/51/31/488045131.db2.gz PUFOXQBGLBEEET-RYUDHWBXSA-N 2 0 234.347 0.597 20 0 BCADRP CCn1nccc1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000670072751 488045172 /nfs/dbraw/zinc/04/51/72/488045172.db2.gz PUFOXQBGLBEEET-VXGBXAGGSA-N 2 0 234.347 0.597 20 0 BCADRP C[C@@H]1C[C@H](C)N(C[C@@]23C[C@@H]2C[NH2+]C3)C[C@H]1C[NH3+] ZINC000663496479 488045744 /nfs/dbraw/zinc/04/57/44/488045744.db2.gz GSTBFAJFDSTNAD-ITGHMWBKSA-N 2 0 237.391 0.901 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)CN(C)[C@@H]1CCCOC1 ZINC000401676071 488046520 /nfs/dbraw/zinc/04/65/20/488046520.db2.gz SSRZYIQHWDBMCO-OLZOCXBDSA-N 2 0 244.379 0.798 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000084382619 488048119 /nfs/dbraw/zinc/04/81/19/488048119.db2.gz FZSMXPNFUIHNHQ-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000084382658 488048189 /nfs/dbraw/zinc/04/81/89/488048189.db2.gz CUFKEYINBKZLRY-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NCc1nc2c(s1)C[NH2+]CC2 ZINC000663500027 488049430 /nfs/dbraw/zinc/04/94/30/488049430.db2.gz YDHRHLUIYXKKBA-YUMQZZPRSA-N 2 0 240.376 0.614 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000084419906 488051684 /nfs/dbraw/zinc/05/16/84/488051684.db2.gz OYMCVKWTWLDIBY-RYUDHWBXSA-N 2 0 227.352 0.001 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000084419894 488051787 /nfs/dbraw/zinc/05/17/87/488051787.db2.gz UTWDVPHCGCRNSY-VXGBXAGGSA-N 2 0 211.353 0.622 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000669491125 488052354 /nfs/dbraw/zinc/05/23/54/488052354.db2.gz MPZVWGPWMMMPKE-ONGXEEELSA-N 2 0 240.351 0.117 20 0 BCADRP CC1(C)C[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CO1 ZINC000396892487 488057287 /nfs/dbraw/zinc/05/72/87/488057287.db2.gz QXSNIULZLOPVJB-OUAUKWLOSA-N 2 0 210.321 0.705 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[C@@H](C)[NH3+])C1 ZINC000389167115 488080193 /nfs/dbraw/zinc/08/01/93/488080193.db2.gz MVAYYJVBIVHZSE-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000257681646 488080541 /nfs/dbraw/zinc/08/05/41/488080541.db2.gz JGBLDGGDHUWYAA-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP COC[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000226438112 488085516 /nfs/dbraw/zinc/08/55/16/488085516.db2.gz UDSSFFXUTSTPSU-NEPJUHHUSA-N 2 0 212.337 0.954 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000257754450 488087152 /nfs/dbraw/zinc/08/71/52/488087152.db2.gz QFNCFTBKFHBCOP-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP CN1CC[N@H+](CC2CC[NH2+]CC2)CCC1=O ZINC000257779456 488087500 /nfs/dbraw/zinc/08/75/00/488087500.db2.gz IEHJHPCFSAULAD-UHFFFAOYSA-N 2 0 225.336 0.150 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H](C)[NH+](C)C ZINC000236772295 488087670 /nfs/dbraw/zinc/08/76/70/488087670.db2.gz LYIDFUJHKRECTI-VIFPVBQESA-N 2 0 215.341 0.570 20 0 BCADRP CCCN1CC[C@H]([NH2+][C@H](CCC[NH3+])COC)C1 ZINC000389307816 488087887 /nfs/dbraw/zinc/08/78/87/488087887.db2.gz FNHZRBSBOPGYRN-QWHCGFSZSA-N 2 0 243.395 0.814 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000236756288 488088145 /nfs/dbraw/zinc/08/81/45/488088145.db2.gz ZIJONGBQZACQHC-UWVGGRQHSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418202274 488095179 /nfs/dbraw/zinc/09/51/79/488095179.db2.gz IUKVZHZPACLANT-HBNTYKKESA-N 2 0 242.367 0.506 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000237045228 488102427 /nfs/dbraw/zinc/10/24/27/488102427.db2.gz HLJXHHUUKVYNTP-AXFHLTTASA-N 2 0 227.352 0.618 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000389690328 488105665 /nfs/dbraw/zinc/10/56/65/488105665.db2.gz ZUSIGONXOHUYAW-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000389690327 488105703 /nfs/dbraw/zinc/10/57/03/488105703.db2.gz ZUSIGONXOHUYAW-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000389706399 488107029 /nfs/dbraw/zinc/10/70/29/488107029.db2.gz DEZBLWVLAXXFQO-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]CCOCC(=O)NCC1([NH3+])CCCCCC1 ZINC000669509070 488107995 /nfs/dbraw/zinc/10/79/95/488107995.db2.gz MGKUFBLVQXNYSS-UHFFFAOYSA-N 2 0 243.351 0.130 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669509597 488110026 /nfs/dbraw/zinc/11/00/26/488110026.db2.gz FNTFDCRMDIZPEL-GARJFASQSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000237186927 488111549 /nfs/dbraw/zinc/11/15/49/488111549.db2.gz KXCLMOBEVSAUJK-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000669510374 488112772 /nfs/dbraw/zinc/11/27/72/488112772.db2.gz UAYLAHRWBKQHQK-MNOVXSKESA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NCC[NH2+]C2CC2)C1 ZINC000669510342 488112518 /nfs/dbraw/zinc/11/25/18/488112518.db2.gz LJFOOLMSWJCTDY-ONGXEEELSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@]1(C(=O)NC[C@H]([NH3+])c2ccccc2)CCC[NH2+]1 ZINC000669510722 488113446 /nfs/dbraw/zinc/11/34/46/488113446.db2.gz XNFSXEFUJPRAGB-JSGCOSHPSA-N 2 0 247.342 0.945 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cn(C)nn1 ZINC000389831274 488116395 /nfs/dbraw/zinc/11/63/95/488116395.db2.gz GZUVEVHVRNEULY-VIFPVBQESA-N 2 0 211.313 0.422 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)N(C)CCC[NH3+])C1 ZINC000669512037 488117101 /nfs/dbraw/zinc/11/71/01/488117101.db2.gz SPAPTGQOMUANKX-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000669511875 488117125 /nfs/dbraw/zinc/11/71/25/488117125.db2.gz KUJQUFFYBPHIRG-PWSUYJOCSA-N 2 0 227.352 0.701 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000237205142 488117579 /nfs/dbraw/zinc/11/75/79/488117579.db2.gz CTAFDITXNVWUPM-ZJUUUORDSA-N 2 0 213.325 0.100 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]CC1(C)C ZINC000669512454 488118938 /nfs/dbraw/zinc/11/89/38/488118938.db2.gz XWFYYBCSGNQKPA-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000669512845 488119664 /nfs/dbraw/zinc/11/96/64/488119664.db2.gz AYGLEKYNXACMLN-JTQLQIEISA-N 2 0 247.342 0.194 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000669514981 488125203 /nfs/dbraw/zinc/12/52/03/488125203.db2.gz YWYSQFQXPGEJTB-DGCLKSJQSA-N 2 0 241.379 0.960 20 0 BCADRP O=C([C@H]1CCCC[NH2+]1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669515874 488125801 /nfs/dbraw/zinc/12/58/01/488125801.db2.gz HWLGOJFLKYKOFL-UTUOFQBUSA-N 2 0 237.347 0.339 20 0 BCADRP O=C([C@H]1CCCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669515872 488125817 /nfs/dbraw/zinc/12/58/17/488125817.db2.gz HWLGOJFLKYKOFL-QJPTWQEYSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@]1(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CCC[NH2+]1 ZINC000669516094 488126084 /nfs/dbraw/zinc/12/60/84/488126084.db2.gz QVZNWXCXRFOZRD-NTZNESFSSA-N 2 0 237.347 0.339 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000669516190 488126920 /nfs/dbraw/zinc/12/69/20/488126920.db2.gz WVMZAZNGJPUKLO-YFKTTZPYSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@H]([NH3+])CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000669517794 488129702 /nfs/dbraw/zinc/12/97/02/488129702.db2.gz XORHFZDMJMLJAW-JTQLQIEISA-N 2 0 227.352 0.749 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000669517716 488129726 /nfs/dbraw/zinc/12/97/26/488129726.db2.gz DOMHEOOLWZUWBM-FZMZJTMJSA-N 2 0 247.342 0.381 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CC(C)(C)[NH3+] ZINC000669518641 488130441 /nfs/dbraw/zinc/13/04/41/488130441.db2.gz XCBPNDMZBTXYPL-WCABBAIRSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CC(C)(C)[NH3+] ZINC000669518642 488130596 /nfs/dbraw/zinc/13/05/96/488130596.db2.gz XCBPNDMZBTXYPL-YWVKMMECSA-N 2 0 227.352 0.617 20 0 BCADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)CO)C1 ZINC000121144594 490076926 /nfs/dbraw/zinc/07/69/26/490076926.db2.gz BPNXUTKZGRIRGC-NEPJUHHUSA-N 2 0 214.353 0.888 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)c1ccc(C[NH3+])o1 ZINC000094570084 487543641 /nfs/dbraw/zinc/54/36/41/487543641.db2.gz FMLQUZJMEVBXOI-UHFFFAOYSA-N 2 0 239.319 0.808 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH3+])o2)C1 ZINC000094569973 487544079 /nfs/dbraw/zinc/54/40/79/487544079.db2.gz VHYPBISIMULYNO-SECBINFHSA-N 2 0 237.303 0.562 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NC2CCC([NH3+])CC2)o1 ZINC000094571312 487544542 /nfs/dbraw/zinc/54/45/42/487544542.db2.gz IBKKHSMJGFNIAN-UHFFFAOYSA-N 2 0 237.303 0.738 20 0 BCADRP C[C@@H](C(=O)NC[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000674286855 487547016 /nfs/dbraw/zinc/54/70/16/487547016.db2.gz CSNNZAMMTFOOFB-VHSXEESVSA-N 2 0 213.325 0.004 20 0 BCADRP COCC[N@H+](C)CCNC(=O)CCC(C)(C)[NH3+] ZINC000070088416 487547810 /nfs/dbraw/zinc/54/78/10/487547810.db2.gz PFCCUUNOHOXCCC-UHFFFAOYSA-N 2 0 245.367 0.198 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[NH+](C)C ZINC000154132591 487530103 /nfs/dbraw/zinc/53/01/03/487530103.db2.gz UIURYZPBPUXVLX-BBBLOLIVSA-N 2 0 213.325 0.145 20 0 BCADRP C[C@@H](C(=O)N1CCC(C[NH+](C)C)CC1)[NH+](C)C ZINC000674289295 487550483 /nfs/dbraw/zinc/55/04/83/487550483.db2.gz DBILBIJPPHTZAR-NSHDSACASA-N 2 0 241.379 0.737 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)[NH+](C)C ZINC000674289557 487550697 /nfs/dbraw/zinc/55/06/97/487550697.db2.gz KZGDYDBNVILNQU-MNOVXSKESA-N 2 0 229.368 0.783 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)[NH+](C)C ZINC000674289558 487550713 /nfs/dbraw/zinc/55/07/13/487550713.db2.gz KZGDYDBNVILNQU-QWRGUYRKSA-N 2 0 229.368 0.783 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000674289238 487550772 /nfs/dbraw/zinc/55/07/72/487550772.db2.gz BUFRFAXMVHZXLK-RYUDHWBXSA-N 2 0 241.379 0.737 20 0 BCADRP C[C@H](O)C[N@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000086703855 487533235 /nfs/dbraw/zinc/53/32/35/487533235.db2.gz QBIQQALFSQRQDT-JTQLQIEISA-N 2 0 212.337 0.831 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061645169 487477060 /nfs/dbraw/zinc/47/70/60/487477060.db2.gz QLIZCAIAOHDDQW-LLVKDONJSA-N 2 0 227.352 0.537 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000295010396 487478588 /nfs/dbraw/zinc/47/85/88/487478588.db2.gz MCICPGCUSCIVAL-DTWKUNHWSA-N 2 0 234.303 0.664 20 0 BCADRP CCc1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc[nH+]1 ZINC000405258984 487479006 /nfs/dbraw/zinc/47/90/06/487479006.db2.gz HYYYOGRFDXTWHQ-UONOGXRCSA-N 2 0 247.342 0.899 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]([NH3+])C[C@@H]1C)[NH+](C)C ZINC000237507725 487479013 /nfs/dbraw/zinc/47/90/13/487479013.db2.gz PLMTZOVRKSIWAS-GUBZILKMSA-N 2 0 213.325 0.275 20 0 BCADRP CN(C[C@@H]1CCC[N@@H+]1C)C[C@@H]1C[NH2+]CCO1 ZINC000086188770 487489103 /nfs/dbraw/zinc/48/91/03/487489103.db2.gz UANDYZQIPHZHPZ-RYUDHWBXSA-N 2 0 227.352 0.001 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000516968822 487492097 /nfs/dbraw/zinc/49/20/97/487492097.db2.gz QDOWRFDRSASJCJ-NXEZZACHSA-N 2 0 244.383 0.739 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000669566701 487492963 /nfs/dbraw/zinc/49/29/63/487492963.db2.gz PUPGBHVUKHGADX-SECBINFHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000086270987 487494254 /nfs/dbraw/zinc/49/42/54/487494254.db2.gz LIJDGOCQJVOQLJ-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP CCOC1CC[NH+](CCOCC[NH3+])CC1 ZINC000086435457 487506700 /nfs/dbraw/zinc/50/67/00/487506700.db2.gz VWZQGOXHQLFJQC-UHFFFAOYSA-N 2 0 216.325 0.463 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C[NH2+]C(C)C)C1 ZINC000062972773 487505056 /nfs/dbraw/zinc/50/50/56/487505056.db2.gz RESJEIFWDOQECI-GFCCVEGCSA-N 2 0 241.379 0.927 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1)OC ZINC000300375190 487511978 /nfs/dbraw/zinc/51/19/78/487511978.db2.gz PHBZDRPOYORTHL-DCAQKATOSA-N 2 0 216.325 0.317 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000381493708 487509483 /nfs/dbraw/zinc/50/94/83/487509483.db2.gz ZIJONGBQZACQHC-VHSXEESVSA-N 2 0 213.325 0.228 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C)OC ZINC000300366935 487510911 /nfs/dbraw/zinc/51/09/11/487510911.db2.gz HNJBGWCCWDETKE-DCAQKATOSA-N 2 0 216.325 0.459 20 0 BCADRP [NH3+]C1(C(=O)NCC[NH2+]C2CC2)CCCC1 ZINC000237792215 487516052 /nfs/dbraw/zinc/51/60/52/487516052.db2.gz ATLQBCOLRUPOSB-UHFFFAOYSA-N 2 0 211.309 0.126 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CC1([NH3+])CCC1 ZINC000094293473 487523900 /nfs/dbraw/zinc/52/39/00/487523900.db2.gz HVUUZCLZIJYVKK-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)[NH+](C)C)C[NH+]1CCCC1 ZINC000674245969 487535181 /nfs/dbraw/zinc/53/51/81/487535181.db2.gz ZHAOTRRKLAJMSZ-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)C1CC1 ZINC000655451742 488059745 /nfs/dbraw/zinc/05/97/45/488059745.db2.gz ODXGVSFBLPMSGJ-WZRBSPASSA-N 2 0 237.347 0.230 20 0 BCADRP CN1CC[N@H+](CC[C@@H]2CC[NH2+]C2)CCC1=O ZINC000257792349 488089253 /nfs/dbraw/zinc/08/92/53/488089253.db2.gz QGJQBMGYGQEGKK-NSHDSACASA-N 2 0 225.336 0.150 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)[NH+](C)C ZINC000683260323 488140677 /nfs/dbraw/zinc/14/06/77/488140677.db2.gz KFDUUHOHSMFQDF-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@]1(C(=O)N2CC[NH2+]C(C)(C)C2)CCC[NH2+]1 ZINC000669520986 488149441 /nfs/dbraw/zinc/14/94/41/488149441.db2.gz QJKCVNRAVPQOKG-LBPRGKRZSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]1C[N@H+](CCc2ccnn2C)CC[C@@H]1[NH3+] ZINC000230745723 488150696 /nfs/dbraw/zinc/15/06/96/488150696.db2.gz SVZJUDGDKRFLAY-PWSUYJOCSA-N 2 0 222.336 0.632 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000669520935 488151500 /nfs/dbraw/zinc/15/15/00/488151500.db2.gz DOKJUQNLMVHZEX-SNVBAGLBSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[NH2+]CCC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000669521233 488151785 /nfs/dbraw/zinc/15/17/85/488151785.db2.gz XZWRWPUWKKLYMJ-LLVKDONJSA-N 2 0 227.352 0.570 20 0 BCADRP CN(CC[NH3+])C(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000669521543 488155973 /nfs/dbraw/zinc/15/59/73/488155973.db2.gz CYUWZSGHCGQWNX-JTQLQIEISA-N 2 0 241.722 0.757 20 0 BCADRP CCn1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000404432553 488159598 /nfs/dbraw/zinc/15/95/98/488159598.db2.gz AAEJBTZMYGISTJ-IJLUTSLNSA-N 2 0 249.362 0.776 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085356977 488162979 /nfs/dbraw/zinc/16/29/79/488162979.db2.gz HGZJDUZSGMQYCK-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000669524651 488164483 /nfs/dbraw/zinc/16/44/83/488164483.db2.gz NSVFLLLKXVILCQ-GUBZILKMSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000669524652 488164570 /nfs/dbraw/zinc/16/45/70/488164570.db2.gz NSVFLLLKXVILCQ-IVZWLZJFSA-N 2 0 240.351 0.258 20 0 BCADRP CC[C@H](C)[N@H+](CCO)C[C@@H](O)C[NH+](C)C(C)C ZINC000380016252 488168421 /nfs/dbraw/zinc/16/84/21/488168421.db2.gz LVECXPSMTVOWPE-STQMWFEESA-N 2 0 246.395 0.780 20 0 BCADRP CC(C)(C[NH3+])Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000404617846 488172269 /nfs/dbraw/zinc/17/22/69/488172269.db2.gz JLHOBHQJWGBRSL-JTQLQIEISA-N 2 0 237.351 0.730 20 0 BCADRP [NH3+]CCCn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000404657390 488173931 /nfs/dbraw/zinc/17/39/31/488173931.db2.gz USSCIVJQLOBPQE-VIFPVBQESA-N 2 0 209.297 0.094 20 0 BCADRP CN1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000380124612 488175453 /nfs/dbraw/zinc/17/54/53/488175453.db2.gz VHJKRDJWJAFRRL-OPRDCNLKSA-N 2 0 211.309 0.077 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N(C)CCC[NH3+] ZINC000380157319 488175504 /nfs/dbraw/zinc/17/55/04/488175504.db2.gz ZMBGHLICWYIGRC-JTQLQIEISA-N 2 0 201.314 0.311 20 0 BCADRP COC[C@H](O)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400952203 488178608 /nfs/dbraw/zinc/17/86/08/488178608.db2.gz HXKVYVBPGFNQIY-WUHRBBMRSA-N 2 0 242.363 0.362 20 0 BCADRP C[NH+](C)CCCn1cc(C2CC[NH2+]CC2)nn1 ZINC000404817848 488179623 /nfs/dbraw/zinc/17/96/23/488179623.db2.gz BSFGHHGRQKVIPB-UHFFFAOYSA-N 2 0 237.351 0.697 20 0 BCADRP Cc1ncc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)n1C ZINC000668012163 488184442 /nfs/dbraw/zinc/18/44/42/488184442.db2.gz UMQVWOFARKCNBW-BXKDBHETSA-N 2 0 223.320 0.931 20 0 BCADRP C[C@H](CNC(=O)C1([NH+](C)C)CC1)[N@H+](C)C1CC1 ZINC000668096112 488202166 /nfs/dbraw/zinc/20/21/66/488202166.db2.gz YZAIRLFYTWZLCN-SNVBAGLBSA-N 2 0 239.363 0.680 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)CC2([NH3+])CC2)C1 ZINC000398136267 488212070 /nfs/dbraw/zinc/21/20/70/488212070.db2.gz XRNCBFBGADPVBM-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]CC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000083913238 488214968 /nfs/dbraw/zinc/21/49/68/488214968.db2.gz QKFCMCJFSUMOSS-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000399089761 488228018 /nfs/dbraw/zinc/22/80/18/488228018.db2.gz WAKFPZNNVJBETD-RYUDHWBXSA-N 2 0 239.363 0.714 20 0 BCADRP COc1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000678883739 488293204 /nfs/dbraw/zinc/29/32/04/488293204.db2.gz SCSWTSWZUBDXPM-PHIMTYICSA-N 2 0 233.315 0.741 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662395896 490065145 /nfs/dbraw/zinc/06/51/45/490065145.db2.gz LMLVTXSKSZSVLW-LLVKDONJSA-N 2 0 245.326 0.724 20 0 BCADRP CN(C(=O)c1cccc2c1C[NH2+]C2)C1CC([NH3+])C1 ZINC000662567316 490095436 /nfs/dbraw/zinc/09/54/36/490095436.db2.gz UNJSPOUFUYUUKV-UHFFFAOYSA-N 2 0 245.326 0.852 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000382925349 490111310 /nfs/dbraw/zinc/11/13/10/490111310.db2.gz DFWFGVXOGRFYDN-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP CN(CCC[NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000652323371 490187610 /nfs/dbraw/zinc/18/76/10/490187610.db2.gz GCEPNNZYTFBDOW-UHFFFAOYSA-N 2 0 242.367 0.366 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H](C)[NH+](C)C ZINC000078653608 490211109 /nfs/dbraw/zinc/21/11/09/490211109.db2.gz SCNSVXKXFTZIAW-NSHDSACASA-N 2 0 229.368 0.785 20 0 BCADRP C[C@@H](CC(=O)N1CC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000152364470 490308892 /nfs/dbraw/zinc/30/88/92/490308892.db2.gz KLFTYWYAYAKFCW-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)NC[C@H]1CCCC[NH2+]1 ZINC000130732098 490449030 /nfs/dbraw/zinc/44/90/30/490449030.db2.gz RUZSQKFEJVEOJI-WDEREUQCSA-N 2 0 225.336 0.387 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000129086411 490600227 /nfs/dbraw/zinc/60/02/27/490600227.db2.gz CFWLOFHQSLGMMN-IVZWLZJFSA-N 2 0 213.325 0.310 20 0 BCADRP c1cn2c(n1)C[C@H]([NH2+]C1CSC1)CC2 ZINC000307197066 490655276 /nfs/dbraw/zinc/65/52/76/490655276.db2.gz UUSRVBSGVJESOP-MRVPVSSYSA-N 2 0 209.318 0.903 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000081000489 490669285 /nfs/dbraw/zinc/66/92/85/490669285.db2.gz JFNPHYZHGMDNNK-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+]CCOCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000629531243 491078224 /nfs/dbraw/zinc/07/82/24/491078224.db2.gz FQDIUCCZCQCSOY-KGLIPLIRSA-N 2 0 249.358 0.957 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000659305191 491078029 /nfs/dbraw/zinc/07/80/29/491078029.db2.gz FMTZSGZVUDLZLT-ZJUUUORDSA-N 2 0 213.325 0.180 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652323328 491082651 /nfs/dbraw/zinc/08/26/51/491082651.db2.gz FFVRANRAYAZSFL-NSHDSACASA-N 2 0 240.351 0.119 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C[NH2+]C ZINC000379459445 491089110 /nfs/dbraw/zinc/08/91/10/491089110.db2.gz QUARWZKXZPLYBH-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP CC[C@@H](C)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685694 491090516 /nfs/dbraw/zinc/09/05/16/491090516.db2.gz IYWBNNSVPRUICU-LLVKDONJSA-N 2 0 227.352 0.491 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000662406950 491100258 /nfs/dbraw/zinc/10/02/58/491100258.db2.gz NTOJSKBBQLEWJT-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662648672 491110319 /nfs/dbraw/zinc/11/03/19/491110319.db2.gz JDDULGCJXNTBHT-WDEREUQCSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000662964231 491119403 /nfs/dbraw/zinc/11/94/03/491119403.db2.gz AOCIJWLEPDSUFN-JQWIXIFHSA-N 2 0 235.331 0.719 20 0 BCADRP CC[C@@H]1CN(C(=O)C[C@H](C)[NH3+])CC[C@H]1[NH3+] ZINC000390435393 491122084 /nfs/dbraw/zinc/12/20/84/491122084.db2.gz RSUASJOANFWXAL-IVZWLZJFSA-N 2 0 213.325 0.310 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCN2CCCC2)C1 ZINC000086402303 491123849 /nfs/dbraw/zinc/12/38/49/491123849.db2.gz HRZZKTIHSNFAQZ-VXGBXAGGSA-N 2 0 211.353 0.942 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCC1(C[NH3+])CC1 ZINC000653215031 491128380 /nfs/dbraw/zinc/12/83/80/491128380.db2.gz MFSDBVRXVNVGDW-UWVGGRQHSA-N 2 0 227.352 0.605 20 0 BCADRP C([C@H]1C[NH2+]CCO1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000216597970 491128621 /nfs/dbraw/zinc/12/86/21/491128621.db2.gz FNKCZKJFFWPQGX-QWHCGFSZSA-N 2 0 239.363 0.145 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)CO1 ZINC000401847772 491129115 /nfs/dbraw/zinc/12/91/15/491129115.db2.gz VDZCQVVTUKCUGU-GHMZBOCLSA-N 2 0 216.325 0.332 20 0 BCADRP C[C@@H]([NH2+]C[C@]1(O)CCOC1)C1CC[NH+](C)CC1 ZINC000090849907 491129865 /nfs/dbraw/zinc/12/98/65/491129865.db2.gz AFADXRHYAUWIJG-DGCLKSJQSA-N 2 0 242.363 0.458 20 0 BCADRP COC[C@H](O)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000090952829 491130152 /nfs/dbraw/zinc/13/01/52/491130152.db2.gz BIQMPUHDKJTPBA-WCQYABFASA-N 2 0 244.379 0.704 20 0 BCADRP COC[C@H](O)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000090952832 491130156 /nfs/dbraw/zinc/13/01/56/491130156.db2.gz BIQMPUHDKJTPBA-DGCLKSJQSA-N 2 0 244.379 0.704 20 0 BCADRP COC[C@@H](O)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000090952828 491130227 /nfs/dbraw/zinc/13/02/27/491130227.db2.gz BIQMPUHDKJTPBA-YPMHNXCESA-N 2 0 244.379 0.704 20 0 BCADRP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC1CCC1 ZINC000308804406 491138193 /nfs/dbraw/zinc/13/81/93/491138193.db2.gz AMABACLPSOUKPO-PHIMTYICSA-N 2 0 210.321 0.707 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000348074750 535488819 /nfs/dbraw/zinc/48/88/19/535488819.db2.gz MLSOOFMUGSSDHQ-UHFFFAOYSA-N 2 0 241.379 0.881 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000335378620 535494149 /nfs/dbraw/zinc/49/41/49/535494149.db2.gz FIBJUXWEGXFSDT-LBPRGKRZSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H](C(=O)N(C)CC(C)(C)C[NH+](C)C)[NH+](C)C ZINC000890879089 582584322 /nfs/dbraw/zinc/58/43/22/582584322.db2.gz OCRASWAMZNWRLG-NSHDSACASA-N 2 0 243.395 0.983 20 0 BCADRP C[C@H](NCC[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400674414 533856751 /nfs/dbraw/zinc/85/67/51/533856751.db2.gz VGOVPHBXTGKIBL-RYUDHWBXSA-N 2 0 211.353 0.812 20 0 BCADRP COC(=O)N1CC([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000496503322 533931786 /nfs/dbraw/zinc/93/17/86/533931786.db2.gz AUMLYUYACXPESN-VIFPVBQESA-N 2 0 229.324 0.544 20 0 BCADRP COC(=O)N1CC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000497087371 533932127 /nfs/dbraw/zinc/93/21/27/533932127.db2.gz CVYXVFYXMLASSH-GXSJLCMTSA-N 2 0 241.335 0.544 20 0 BCADRP COC(=O)N1CCC([NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000496652348 533944899 /nfs/dbraw/zinc/94/48/99/533944899.db2.gz WIQNFWARBVNZPE-UWVGGRQHSA-N 2 0 243.351 0.933 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494643297 534091989 /nfs/dbraw/zinc/09/19/89/534091989.db2.gz PKUPZSKWNVDLOO-GRYCIOLGSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000084308888 535836716 /nfs/dbraw/zinc/83/67/16/535836716.db2.gz RBFDTBWDEMHWLI-WDEREUQCSA-N 2 0 227.352 0.429 20 0 BCADRP CCC1([NH3+])CCN(C(=O)NCCC[NH2+]C)CC1 ZINC000891962270 582748629 /nfs/dbraw/zinc/74/86/29/582748629.db2.gz GBRCCGNIYUQBDI-UHFFFAOYSA-N 2 0 242.367 0.509 20 0 BCADRP C[C@@H]1CN(C(=O)/C=C/C[NH+](C)C)C[C@H](C)[N@H+]1C ZINC000493557577 534273637 /nfs/dbraw/zinc/27/36/37/534273637.db2.gz PWDAVZFXGLFKEU-PKRZQGHMSA-N 2 0 239.363 0.655 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NCC[NH2+]C1CC1 ZINC000891984815 582752664 /nfs/dbraw/zinc/75/26/64/582752664.db2.gz KPXAKOJUFPXYBM-UHFFFAOYSA-N 2 0 228.340 0.165 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891997033 582757495 /nfs/dbraw/zinc/75/74/95/582757495.db2.gz QILUSLVYZQUOFW-PWSUYJOCSA-N 2 0 240.351 0.180 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000892056223 582777896 /nfs/dbraw/zinc/77/78/96/582777896.db2.gz RCHOHSLUQNQJFU-NXEZZACHSA-N 2 0 228.340 0.247 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)NC1(C[NH3+])CCCCC1 ZINC000892102800 582791701 /nfs/dbraw/zinc/79/17/01/582791701.db2.gz KOTPOWPWAANMRU-SECBINFHSA-N 2 0 228.340 0.294 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000892142707 582799660 /nfs/dbraw/zinc/79/96/60/582799660.db2.gz BFJHMIJNKOWKTJ-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP CCC1([NH3+])CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000892145137 582800521 /nfs/dbraw/zinc/80/05/21/582800521.db2.gz KZFWUWSIHQTXPK-VHSXEESVSA-N 2 0 242.367 0.635 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NC1(C[NH3+])CCCCC1 ZINC000892146497 582801377 /nfs/dbraw/zinc/80/13/77/582801377.db2.gz LLMKHCWFUGKRSV-JTQLQIEISA-N 2 0 242.367 0.685 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000892146729 582801438 /nfs/dbraw/zinc/80/14/38/582801438.db2.gz QAMLGOBTEKGVDT-AATLWQCWSA-N 2 0 228.340 0.291 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892200027 582807395 /nfs/dbraw/zinc/80/73/95/582807395.db2.gz OYKMSEZYPGLWPF-ZYUZMQFOSA-N 2 0 228.340 0.149 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892200020 582807469 /nfs/dbraw/zinc/80/74/69/582807469.db2.gz OYKMSEZYPGLWPF-QCLAVDOMSA-N 2 0 228.340 0.149 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCCC1(C[NH3+])CC1 ZINC000892221429 582808882 /nfs/dbraw/zinc/80/88/82/582808882.db2.gz WPPKUHMQSLACPW-VHSXEESVSA-N 2 0 240.351 0.247 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000335488922 536369819 /nfs/dbraw/zinc/36/98/19/536369819.db2.gz SNPZHZXAHAQWAH-LLVKDONJSA-N 2 0 237.347 0.435 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184225007 536460946 /nfs/dbraw/zinc/46/09/46/536460946.db2.gz TZISUVWTZOQCJZ-LBPRGKRZSA-N 2 0 249.358 0.829 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892548373 582910541 /nfs/dbraw/zinc/91/05/41/582910541.db2.gz MPUAAUDAZNGNGV-DTORHVGOSA-N 2 0 228.340 0.102 20 0 BCADRP COC[C@@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261580056 536525504 /nfs/dbraw/zinc/52/55/04/536525504.db2.gz MQECEAWOBAGWHX-NEPJUHHUSA-N 2 0 227.352 0.001 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000494688342 528089324 /nfs/dbraw/zinc/08/93/24/528089324.db2.gz FETBZYAFPHUISW-NSHDSACASA-N 2 0 229.368 0.962 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000494692930 528499143 /nfs/dbraw/zinc/49/91/43/528499143.db2.gz WGDRWWUYLKZHQC-CKYFFXLPSA-N 2 0 239.363 0.711 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000494675837 528499771 /nfs/dbraw/zinc/49/97/71/528499771.db2.gz WODLEYTUKVXNSW-QJPTWQEYSA-N 2 0 241.379 0.959 20 0 BCADRP CCOC(=O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309028801 528730916 /nfs/dbraw/zinc/73/09/16/528730916.db2.gz CIUVUZFIYNIBJH-AOOOYVTPSA-N 2 0 212.293 0.091 20 0 BCADRP CCOC(=O)N1CC[C@H]([NH2+][C@H](C)CCC[NH3+])C1 ZINC000497070993 529022467 /nfs/dbraw/zinc/02/24/67/529022467.db2.gz IJRKUEFQAFPVKO-MNOVXSKESA-N 2 0 243.351 0.934 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494576559 529052271 /nfs/dbraw/zinc/05/22/71/529052271.db2.gz XIGKDVVAJUZXIB-GHMZBOCLSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NC(C)(C)C[NH3+] ZINC000418419241 529057842 /nfs/dbraw/zinc/05/78/42/529057842.db2.gz YNWATXAYWSPNOL-MRVPVSSYSA-N 2 0 216.329 0.006 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000495167624 529213682 /nfs/dbraw/zinc/21/36/82/529213682.db2.gz MWSUXVFTWSHXQA-HBNTYKKESA-N 2 0 229.368 0.994 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC[C@H]1CCC[NH2+]C1 ZINC000335646863 534985670 /nfs/dbraw/zinc/98/56/70/534985670.db2.gz OWPJSGWXUXUHDW-WDEREUQCSA-N 2 0 211.353 0.716 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262923496 535001381 /nfs/dbraw/zinc/00/13/81/535001381.db2.gz ZOIWBRLJZLNQRJ-MNOVXSKESA-N 2 0 227.352 0.441 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000335377277 535070106 /nfs/dbraw/zinc/07/01/06/535070106.db2.gz UETLFSSRNVVDFL-GFCCVEGCSA-N 2 0 247.342 0.727 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@H](C[NH3+])C1)[NH+](C)C ZINC000262543384 535132074 /nfs/dbraw/zinc/13/20/74/535132074.db2.gz XRZPETAEKHHXIS-MNOVXSKESA-N 2 0 227.352 0.380 20 0 BCADRP CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH3+])[NH+](C)C ZINC000262543901 535135476 /nfs/dbraw/zinc/13/54/76/535135476.db2.gz YFDFDBCMHPWVHK-ZJUUUORDSA-N 2 0 215.341 0.426 20 0 BCADRP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000253034157 535158962 /nfs/dbraw/zinc/15/89/62/535158962.db2.gz VGRUQWMWBUBAKY-HBNTYKKESA-N 2 0 200.326 0.720 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000335319394 535194862 /nfs/dbraw/zinc/19/48/62/535194862.db2.gz CFEMFDMBZTXDAT-LLVKDONJSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)([NH3+])CN1CCC2(CC[NH2+]C2)CC1 ZINC000261547590 535197654 /nfs/dbraw/zinc/19/76/54/535197654.db2.gz MNCFCIUDOGAQAP-UHFFFAOYSA-N 2 0 211.353 0.799 20 0 BCADRP CCCN(C(=O)CC[NH2+]C)[C@H]1CC[NH2+]C1 ZINC000261541419 535201764 /nfs/dbraw/zinc/20/17/64/535201764.db2.gz FVSDMYRANFLDFW-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217805626 535208020 /nfs/dbraw/zinc/20/80/20/535208020.db2.gz ZAMSGQAZDDQKKC-GRYCIOLGSA-N 2 0 239.363 0.713 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000335345223 535296536 /nfs/dbraw/zinc/29/65/36/535296536.db2.gz LVMCMMLRGOUWQJ-WDEREUQCSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000261532843 535316553 /nfs/dbraw/zinc/31/65/53/535316553.db2.gz KJKWWIRYQQTXPE-QMMMGPOBSA-N 2 0 201.314 0.213 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000262487444 535331272 /nfs/dbraw/zinc/33/12/72/535331272.db2.gz VGWOXUGAFHBNNT-JBLDHEPKSA-N 2 0 229.368 0.849 20 0 BCADRP CC1(C)CN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC[NH2+]1 ZINC000335626775 535344635 /nfs/dbraw/zinc/34/46/35/535344635.db2.gz ISTRKFXXOVYNNB-GXFFZTMASA-N 2 0 237.347 0.196 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000178520626 535491862 /nfs/dbraw/zinc/49/18/62/535491862.db2.gz NHDULAVZOPYNHX-SNVBAGLBSA-N 2 0 213.325 0.135 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262629606 535492107 /nfs/dbraw/zinc/49/21/07/535492107.db2.gz LYLZMXRYBYKTIR-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000335390117 535492189 /nfs/dbraw/zinc/49/21/89/535492189.db2.gz MJGVPGGXKHKRAO-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](C)[NH3+])C1 ZINC000178826413 535595655 /nfs/dbraw/zinc/59/56/55/535595655.db2.gz APSLVNLQLQVKIE-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP CCS(=O)(=O)CC[N@H+](C)CC1CC[NH2+]CC1 ZINC000086703045 535628022 /nfs/dbraw/zinc/62/80/22/535628022.db2.gz BGBQMTFEJRBMQB-UHFFFAOYSA-N 2 0 248.392 0.353 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747171 535676304 /nfs/dbraw/zinc/67/63/04/535676304.db2.gz BCSWSDVVEAKFEP-LBPRGKRZSA-N 2 0 239.363 0.811 20 0 BCADRP CCSCC[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336767435 535684720 /nfs/dbraw/zinc/68/47/20/535684720.db2.gz SKJMBANZCZVXOK-UHFFFAOYSA-N 2 0 232.393 0.786 20 0 BCADRP CCOC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000261530173 535689772 /nfs/dbraw/zinc/68/97/72/535689772.db2.gz XPVVRBQCGRBEDU-OUAUKWLOSA-N 2 0 200.326 0.999 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C)C1 ZINC000176084853 535752966 /nfs/dbraw/zinc/75/29/66/535752966.db2.gz BLQCNBNZHGQHKP-LLVKDONJSA-N 2 0 227.352 0.348 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351759487 535759717 /nfs/dbraw/zinc/75/97/17/535759717.db2.gz CZDRLDBUXHSZLY-NHCYSSNCSA-N 2 0 227.352 0.700 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000055090050 535829304 /nfs/dbraw/zinc/82/93/04/535829304.db2.gz VXBDZCQPVYFPIG-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000062116689 535830914 /nfs/dbraw/zinc/83/09/14/535830914.db2.gz UJZKOOYKXLJQLX-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP C[NH+](C)CCCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000084381559 535836021 /nfs/dbraw/zinc/83/60/21/535836021.db2.gz HTUPLYYBCYZNBA-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP C[NH+](C)CCCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055123745 535836749 /nfs/dbraw/zinc/83/67/49/535836749.db2.gz IWKRJMOKLKJSKD-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261579556 535847568 /nfs/dbraw/zinc/84/75/68/535847568.db2.gz MHNNQBSOKFTUEP-UJNFCWOMSA-N 2 0 213.325 0.213 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)CCC[NH2+]C ZINC000087471697 535950536 /nfs/dbraw/zinc/95/05/36/535950536.db2.gz QNVQYHUHSCOKHP-UWVGGRQHSA-N 2 0 215.341 0.428 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262626851 535951340 /nfs/dbraw/zinc/95/13/40/535951340.db2.gz LBXFOKWXYSHNGL-USZNOCQGSA-N 2 0 239.363 0.713 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000335939361 535958515 /nfs/dbraw/zinc/95/85/15/535958515.db2.gz FLAFIJACXINVNH-VXGBXAGGSA-N 2 0 239.363 0.491 20 0 BCADRP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@H]1CCCOC1 ZINC000224913438 535973483 /nfs/dbraw/zinc/97/34/83/535973483.db2.gz ULNCFQYYTCOLNZ-VXGBXAGGSA-N 2 0 230.352 0.315 20 0 BCADRP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000335390596 535995601 /nfs/dbraw/zinc/99/56/01/535995601.db2.gz QXZDIYXVEFDTTQ-CYBMUJFWSA-N 2 0 247.342 0.921 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C1([NH3+])CCC1 ZINC000088050759 536108537 /nfs/dbraw/zinc/10/85/37/536108537.db2.gz OZDCLZKWELBKTK-UHFFFAOYSA-N 2 0 213.325 0.324 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080998469 536110236 /nfs/dbraw/zinc/11/02/36/536110236.db2.gz SEKPJRMMUDZBMF-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000084420066 536138091 /nfs/dbraw/zinc/13/80/91/536138091.db2.gz LPRDYPCPWVKSST-UWVGGRQHSA-N 2 0 213.325 0.276 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000261556781 536138323 /nfs/dbraw/zinc/13/83/23/536138323.db2.gz WIDALPIVAJHSKM-ZJUUUORDSA-N 2 0 213.325 0.454 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000261556780 536139380 /nfs/dbraw/zinc/13/93/80/536139380.db2.gz WIDALPIVAJHSKM-UWVGGRQHSA-N 2 0 213.325 0.454 20 0 BCADRP CN(CCC1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000261540021 536323791 /nfs/dbraw/zinc/32/37/91/536323791.db2.gz DOHVIXQUOUQIBP-GFCCVEGCSA-N 2 0 211.353 0.670 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H](O)C[C@@H]1CO ZINC000352020088 536353770 /nfs/dbraw/zinc/35/37/70/536353770.db2.gz GZLCGEHZIFITKI-JHJVBQTASA-N 2 0 242.363 0.288 20 0 BCADRP C[NH2+][C@@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000261548123 536361750 /nfs/dbraw/zinc/36/17/50/536361750.db2.gz NAZZHHYZWDAPAQ-GFCCVEGCSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000335829746 536372558 /nfs/dbraw/zinc/37/25/58/536372558.db2.gz URTHGTBFDIMSRS-NEPJUHHUSA-N 2 0 233.315 0.507 20 0 BCADRP CNC(=O)[C@@]1(C)CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262033507 536372621 /nfs/dbraw/zinc/37/26/21/536372621.db2.gz OHVKHFMMAPPJKV-OLZOCXBDSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000334640311 536373443 /nfs/dbraw/zinc/37/34/43/536373443.db2.gz IXVDYXTYSDVYKG-ZYHUDNBSSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261666706 536398822 /nfs/dbraw/zinc/39/88/22/536398822.db2.gz GJZPYXQKYIFHDT-KXNHARMFSA-N 2 0 239.363 0.631 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000086068434 536448089 /nfs/dbraw/zinc/44/80/89/536448089.db2.gz VRFJANZHTJHVPI-ZJUUUORDSA-N 2 0 225.336 0.195 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000222641970 536877294 /nfs/dbraw/zinc/87/72/94/536877294.db2.gz ZQEHKRIHNVRDCK-QJPTWQEYSA-N 2 0 230.352 0.456 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCC[NH3+] ZINC000381221443 566300698 /nfs/dbraw/zinc/30/06/98/566300698.db2.gz ITUCSPUOCQUUKM-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000289300098 566384072 /nfs/dbraw/zinc/38/40/72/566384072.db2.gz RZEYPEPDJJOOSS-WXHSDQCUSA-N 2 0 247.342 0.677 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000892847293 582995509 /nfs/dbraw/zinc/99/55/09/582995509.db2.gz PFDXFIATKPCADV-SNVBAGLBSA-N 2 0 242.367 0.637 20 0 BCADRP C[C@@H]1CN(C(=O)NCCC(C)(C)[NH3+])[C@@H](C)C[NH2+]1 ZINC000892852073 582996842 /nfs/dbraw/zinc/99/68/42/582996842.db2.gz ZXZOPGJKGWMGOF-ZJUUUORDSA-N 2 0 242.367 0.506 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000892850131 582996090 /nfs/dbraw/zinc/99/60/90/582996090.db2.gz KSSOMBDJXFMSJO-SECBINFHSA-N 2 0 228.340 0.104 20 0 BCADRP COCCOC[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000892942880 583014579 /nfs/dbraw/zinc/01/45/79/583014579.db2.gz ATQJQNGUOGBXOV-LBPRGKRZSA-N 2 0 244.379 0.969 20 0 BCADRP Cc1cc(N)nc(NC[C@](C)(O)C[NH+](C)C)[nH+]1 ZINC000892954771 583019322 /nfs/dbraw/zinc/01/93/22/583019322.db2.gz BZEYLXWZAHUZNY-NSHDSACASA-N 2 0 239.323 0.092 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)NCC2CC2)CC1 ZINC000111611861 583069743 /nfs/dbraw/zinc/06/97/43/583069743.db2.gz XALHGYMSEYRZFN-SNVBAGLBSA-N 2 0 239.363 0.572 20 0 BCADRP FC1(F)CC[NH2+]C[C@@H]1NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000853246662 588728552 /nfs/dbraw/zinc/72/85/52/588728552.db2.gz PBZWDWBXOOORAN-UTLUCORTSA-N 2 0 231.290 0.183 20 0 BCADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CC[C@@H]2C2CC2)n1 ZINC000854232098 588781306 /nfs/dbraw/zinc/78/13/06/588781306.db2.gz LMEAAZUCEMXGBD-GHMZBOCLSA-N 2 0 248.330 0.919 20 0 BCADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CC[C@@H]2C2CC2)n1 ZINC000854232099 588781391 /nfs/dbraw/zinc/78/13/91/588781391.db2.gz LMEAAZUCEMXGBD-MNOVXSKESA-N 2 0 248.330 0.919 20 0 BCADRP CC[C@H]1C(=O)NCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000113218439 588827585 /nfs/dbraw/zinc/82/75/85/588827585.db2.gz XKOXPDMWRJYQNW-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)C1CC[NH2+]CC1 ZINC000868013294 582461172 /nfs/dbraw/zinc/46/11/72/582461172.db2.gz RCBGRGCOLHSCCS-NHCYSSNCSA-N 2 0 239.363 0.489 20 0 BCADRP CC[N@@H+]1CCN(c2cc(C)[nH+]c(N)n2)[C@@H](C)C1 ZINC000804798382 582559249 /nfs/dbraw/zinc/55/92/49/582559249.db2.gz UTYUNFXWWPNYIY-JTQLQIEISA-N 2 0 235.335 0.898 20 0 BCADRP OCc1c[nH+]ccc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000891781232 582720353 /nfs/dbraw/zinc/72/03/53/582720353.db2.gz HGWZXMVGJGQOJU-NSHDSACASA-N 2 0 247.342 0.892 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)NCC[NH3+] ZINC000891977244 582751178 /nfs/dbraw/zinc/75/11/78/582751178.db2.gz TYNUAXAENOEVOY-UHFFFAOYSA-N 2 0 216.329 0.106 20 0 BCADRP CCN(C(=O)NCC[NH2+]C1CC1)[C@H]1CC[NH2+]C1 ZINC000891985015 582752552 /nfs/dbraw/zinc/75/25/52/582752552.db2.gz RBVLOJCSRJQOQN-NSHDSACASA-N 2 0 240.351 0.132 20 0 BCADRP C[NH2+]CCNC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000891993477 582757050 /nfs/dbraw/zinc/75/70/50/582757050.db2.gz WVIPVJQZXASWMZ-SNVBAGLBSA-N 2 0 242.367 0.283 20 0 BCADRP CCN(C(=O)NC[C@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000891998691 582757958 /nfs/dbraw/zinc/75/79/58/582757958.db2.gz FRWDTAFKGYCUEW-GHMZBOCLSA-N 2 0 240.351 0.132 20 0 BCADRP Nc1cc[nH+]c(CNC(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000892000778 582758325 /nfs/dbraw/zinc/75/83/25/582758325.db2.gz TXMHVSJFVGKTCS-SNVBAGLBSA-N 2 0 249.318 0.215 20 0 BCADRP C[N@@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1(C)C ZINC000892002260 582758765 /nfs/dbraw/zinc/75/87/65/582758765.db2.gz NBCNYUWIMHQNQA-JTQLQIEISA-N 2 0 240.351 0.084 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892019965 582762863 /nfs/dbraw/zinc/76/28/63/582762863.db2.gz SSEDZHHUWCNRIR-OUAUKWLOSA-N 2 0 240.351 0.116 20 0 BCADRP CC(C)([NH3+])CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000892033405 582767674 /nfs/dbraw/zinc/76/76/74/582767674.db2.gz GFVWEYOBHKFKDQ-NXEZZACHSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)NC1(C[NH3+])CCCCC1 ZINC000892045946 582771545 /nfs/dbraw/zinc/77/15/45/582771545.db2.gz XFQWLQILKASCBE-SNVBAGLBSA-N 2 0 242.367 0.542 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)NCC1C[NH2+]C1 ZINC000892048398 582774517 /nfs/dbraw/zinc/77/45/17/582774517.db2.gz KHYRWTVKERHQIK-UHFFFAOYSA-N 2 0 242.367 0.366 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000892051210 582775039 /nfs/dbraw/zinc/77/50/39/582775039.db2.gz OZUDWPKDUALMCA-VIFPVBQESA-N 2 0 228.340 0.150 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000892052685 582775681 /nfs/dbraw/zinc/77/56/81/582775681.db2.gz DYVVAAWPEYBEKA-BBBLOLIVSA-N 2 0 228.340 0.293 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892057245 582777082 /nfs/dbraw/zinc/77/70/82/582777082.db2.gz XAIAPDILNXFAHW-OUAUKWLOSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000892061001 582779826 /nfs/dbraw/zinc/77/98/26/582779826.db2.gz CCMYYHQEEWJIIC-ZJUUUORDSA-N 2 0 228.340 0.247 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892079216 582787029 /nfs/dbraw/zinc/78/70/29/582787029.db2.gz DXBJUJCWCZMLFC-HBNTYKKESA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892078047 582787107 /nfs/dbraw/zinc/78/71/07/582787107.db2.gz MXIITSVYEQVZPG-CHWFTXMASA-N 2 0 240.351 0.021 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892091234 582788932 /nfs/dbraw/zinc/78/89/32/582788932.db2.gz DHOGGEMRKGTRCC-NAKRPEOUSA-N 2 0 240.351 0.021 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000892089660 582788994 /nfs/dbraw/zinc/78/89/94/582788994.db2.gz VQZNRKXFHRDXTO-HBNTYKKESA-N 2 0 240.351 0.389 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCC(C)(C)[NH3+] ZINC000892092545 582789697 /nfs/dbraw/zinc/78/96/97/582789697.db2.gz QXSUPKFUBSMEHX-NXEZZACHSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[NH2+]1 ZINC000892098122 582790497 /nfs/dbraw/zinc/79/04/97/582790497.db2.gz XRRPLEDLQJCDLE-NAKRPEOUSA-N 2 0 240.351 0.163 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000892097226 582790614 /nfs/dbraw/zinc/79/06/14/582790614.db2.gz MJQYQOKLEDQHAY-CHWFTXMASA-N 2 0 240.351 0.258 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000892104629 582792825 /nfs/dbraw/zinc/79/28/25/582792825.db2.gz YSDXIZJCXPCNTC-JTQLQIEISA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N(C)CCCCCC[NH3+] ZINC000892104589 582792868 /nfs/dbraw/zinc/79/28/68/582792868.db2.gz YCJLDIKWSCAWAE-JTQLQIEISA-N 2 0 230.356 0.494 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000892136547 582798169 /nfs/dbraw/zinc/79/81/69/582798169.db2.gz YEHYXWJQYSUBAU-GMTAPVOTSA-N 2 0 242.367 0.635 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000892139392 582798498 /nfs/dbraw/zinc/79/84/98/582798498.db2.gz AVBXJKYTVXARIA-GHMZBOCLSA-N 2 0 242.367 0.637 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCC(C)(C)[NH3+] ZINC000892146167 582800535 /nfs/dbraw/zinc/80/05/35/582800535.db2.gz NLXQBKLEWIVDRC-HTQZYQBOSA-N 2 0 216.329 0.149 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N(C)CCCCCC[NH3+] ZINC000892147534 582801626 /nfs/dbraw/zinc/80/16/26/582801626.db2.gz POKWRYTXKCZGFF-NSHDSACASA-N 2 0 244.383 0.884 20 0 BCADRP CC[C@@H](CNC1=[NH+]C[C@@H](C)N1)[NH+]1CCCC1 ZINC000848986416 582817351 /nfs/dbraw/zinc/81/73/51/582817351.db2.gz PWOMAOGOMOZNFV-MNOVXSKESA-N 2 0 224.352 0.798 20 0 BCADRP CC[C@@H](C)NC(=[NH2+])NC[C@H]1C[N@H+](C)CCN1C ZINC000849008211 582822370 /nfs/dbraw/zinc/82/23/70/582822370.db2.gz YQFOVCDJYOHUEO-MNOVXSKESA-N 2 0 241.383 0.145 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000892282144 582826687 /nfs/dbraw/zinc/82/66/87/582826687.db2.gz YBYDZPXKXBIFDQ-CHWFTXMASA-N 2 0 240.351 0.258 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892454445 582890754 /nfs/dbraw/zinc/89/07/54/582890754.db2.gz SVECHKNYGSBMKI-GRZMOONWSA-N 2 0 240.351 0.341 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892548775 582910452 /nfs/dbraw/zinc/91/04/52/582910452.db2.gz IYJDTMYJLOWUDU-AOOOYVTPSA-N 2 0 242.367 0.363 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892567363 582915379 /nfs/dbraw/zinc/91/53/79/582915379.db2.gz LQOHSAPIIUHDQA-GMTAPVOTSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@H]1C[C@H](Nc2cc[nH+]cc2CO)CC[N@@H+]1C ZINC000892673729 582948266 /nfs/dbraw/zinc/94/82/66/582948266.db2.gz OZRBUSACYUMDJV-CMPLNLGQSA-N 2 0 235.331 0.890 20 0 BCADRP CCN(C(=O)NCCC(C)(C)[NH3+])[C@H]1CC[NH2+]C1 ZINC000892846187 582995369 /nfs/dbraw/zinc/99/53/69/582995369.db2.gz KQOCMLGNUUUNCS-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCCC(C)(C)[NH3+] ZINC000892846149 582995650 /nfs/dbraw/zinc/99/56/50/582995650.db2.gz JVDUHQQQXRGOLU-DTWKUNHWSA-N 2 0 228.340 0.245 20 0 BCADRP COCCOC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000892947184 583015878 /nfs/dbraw/zinc/01/58/78/583015878.db2.gz YPKYNHDQLQWCRW-QWHCGFSZSA-N 2 0 244.379 0.969 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)NC[C@H]1CCCC[NH2+]1 ZINC000852794813 583016811 /nfs/dbraw/zinc/01/68/11/583016811.db2.gz TYWOKIASUROFBU-GFCCVEGCSA-N 2 0 237.347 0.555 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000394608492 583115487 /nfs/dbraw/zinc/11/54/87/583115487.db2.gz RBRVVGJTQAATFE-RWMBFGLXSA-N 2 0 242.363 0.600 20 0 BCADRP CCn1ncc(CN2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000857084434 588886625 /nfs/dbraw/zinc/88/66/25/588886625.db2.gz SLVFPKYSNOYDOG-ZJUUUORDSA-N 2 0 223.324 0.467 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000857103932 588888016 /nfs/dbraw/zinc/88/80/16/588888016.db2.gz OWTJSZYHPFDJMZ-NKWVEPMBSA-N 2 0 238.282 0.005 20 0 BCADRP CC[C@H]1CN(C(=O)NCC[C@H](C)[NH3+])CC[C@@H]1[NH3+] ZINC000857107230 588888076 /nfs/dbraw/zinc/88/80/76/588888076.db2.gz PEDDMUMYIBCSRV-DCAQKATOSA-N 2 0 242.367 0.493 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000857107169 588888086 /nfs/dbraw/zinc/88/80/86/588888086.db2.gz NKDCOOZHWNCTDT-KXUCPTDWSA-N 2 0 228.340 0.102 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)NCC[C@H](C)[NH3+] ZINC000857107266 588888088 /nfs/dbraw/zinc/88/80/88/588888088.db2.gz PTSDFXAHKWOJAQ-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000857107280 588888119 /nfs/dbraw/zinc/88/81/19/588888119.db2.gz QKKIFCMAUSXGAE-VWYCJHECSA-N 2 0 242.367 0.493 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000857107410 588888598 /nfs/dbraw/zinc/88/85/98/588888598.db2.gz UQOHTHWJDKJFCA-GXSJLCMTSA-N 2 0 228.340 0.104 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000857109091 588888817 /nfs/dbraw/zinc/88/88/17/588888817.db2.gz IIKUDORIZSQKJS-GARJFASQSA-N 2 0 242.367 0.458 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000894184733 583332813 /nfs/dbraw/zinc/33/28/13/583332813.db2.gz FGFMPUNUQXPBSP-ZDUSSCGKSA-N 2 0 239.363 0.526 20 0 BCADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)C(=O)NCCF ZINC000894256583 583395321 /nfs/dbraw/zinc/39/53/21/583395321.db2.gz HMYUHPRYRBSJDB-JTQLQIEISA-N 2 0 245.342 0.392 20 0 BCADRP C[NH+](C)C1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000857231033 588897311 /nfs/dbraw/zinc/89/73/11/588897311.db2.gz SDMNJFXMAJIAHQ-KPPDAEKUSA-N 2 0 225.336 0.147 20 0 BCADRP Cc1ccnc(N)c1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000894580816 583488297 /nfs/dbraw/zinc/48/82/97/583488297.db2.gz OSJNVIQDJMLQJU-TXEJJXNPSA-N 2 0 246.358 0.966 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@H]2COCO2)CC1 ZINC000894878806 583543129 /nfs/dbraw/zinc/54/31/29/583543129.db2.gz IYJVANMKGCHECZ-NSHDSACASA-N 2 0 214.309 0.433 20 0 BCADRP C[NH+]1CCC(C[NH2+]C[C@H]2COCO2)CC1 ZINC000894887085 583546675 /nfs/dbraw/zinc/54/66/75/583546675.db2.gz GMFXFAITDLMWRQ-NSHDSACASA-N 2 0 214.309 0.291 20 0 BCADRP COC(=O)[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000141514948 583583917 /nfs/dbraw/zinc/58/39/17/583583917.db2.gz QWHJUWUCVOARMY-LLVKDONJSA-N 2 0 226.320 0.623 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000895387686 583662746 /nfs/dbraw/zinc/66/27/46/583662746.db2.gz OCPLKQYDFDTWRD-QWHCGFSZSA-N 2 0 224.348 0.785 20 0 BCADRP COCCOC[C@H](C)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895429912 583669183 /nfs/dbraw/zinc/66/91/83/583669183.db2.gz YWMAHKREDZZBCK-RYUDHWBXSA-N 2 0 232.368 0.968 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CCn2cncc21)[NH+](C)C ZINC000857979319 588925927 /nfs/dbraw/zinc/92/59/27/588925927.db2.gz AZHUSLARVBMUOZ-NXEZZACHSA-N 2 0 236.319 0.784 20 0 BCADRP C[C@@H]1[C@H]([NH2+][C@H]2CCNC(=O)CC2)CCN1C ZINC000896555165 583812198 /nfs/dbraw/zinc/81/21/98/583812198.db2.gz NPMLHYCHJAQQBG-GMTAPVOTSA-N 2 0 225.336 0.337 20 0 BCADRP CC(C)C[C@@H](C(N)=O)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000883461953 583823618 /nfs/dbraw/zinc/82/36/18/583823618.db2.gz GXYBLUJJJZUSFR-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP CN(CC[NH+](C)C)C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000896821910 583836894 /nfs/dbraw/zinc/83/68/94/583836894.db2.gz XKWQIZPJVXFIQQ-LLVKDONJSA-N 2 0 241.379 0.879 20 0 BCADRP c1cnn(CC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000335002260 583878823 /nfs/dbraw/zinc/87/88/23/583878823.db2.gz YHAXTEUAHSLYSP-ZDUSSCGKSA-N 2 0 234.347 0.959 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870983249 583933262 /nfs/dbraw/zinc/93/32/62/583933262.db2.gz UBTWLCKQPGZSDN-SRVKXCTJSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000897429479 583973176 /nfs/dbraw/zinc/97/31/76/583973176.db2.gz FEPKELZOLIZDEO-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)NCC[NH+](C)C)C1 ZINC000897441306 583984533 /nfs/dbraw/zinc/98/45/33/583984533.db2.gz BZIXPEBRANEEDA-LLVKDONJSA-N 2 0 242.367 0.189 20 0 BCADRP CC[NH+](CC)CCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864452422 584005377 /nfs/dbraw/zinc/00/53/77/584005377.db2.gz QAPMTMPGVAKSRN-VHSXEESVSA-N 2 0 212.341 0.851 20 0 BCADRP COC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000729436016 584014327 /nfs/dbraw/zinc/01/43/27/584014327.db2.gz LDLUNUNBHIQASJ-UHFFFAOYSA-N 2 0 217.313 0.178 20 0 BCADRP O=C1OCC[C@@H]1N1CCC[C@H](n2ccnc2)C1 ZINC000729920214 584029722 /nfs/dbraw/zinc/02/97/22/584029722.db2.gz LDCGOSBDGAQRIZ-QWRGUYRKSA-N 2 0 235.287 0.836 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897760223 584044560 /nfs/dbraw/zinc/04/45/60/584044560.db2.gz KJHAMTLBDMATEW-QWRGUYRKSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C1CC(CCO)C1 ZINC000898008814 584071018 /nfs/dbraw/zinc/07/10/18/584071018.db2.gz VVPDLKHXYICVID-HBIQZDMRSA-N 2 0 212.337 0.687 20 0 BCADRP C[C@@H]([NH2+]C[C@@]12C[C@@H]1C[NH2+]C2)C1CC[NH2+]CC1 ZINC000873220903 584127299 /nfs/dbraw/zinc/12/72/99/584127299.db2.gz WFRKRRNAQURMKD-RTXFEEFZSA-N 3 0 223.364 0.574 20 0 BCADRP C[C@H]([NH2+]C[C@@]12C[C@@H]1C[NH2+]C2)C1CC[NH2+]CC1 ZINC000873220905 584127350 /nfs/dbraw/zinc/12/73/50/584127350.db2.gz WFRKRRNAQURMKD-UHTWSYAYSA-N 3 0 223.364 0.574 20 0 BCADRP C[C@@H](C(=O)N1CC([NH+]2CCCC2)C1)[NH+](C)C ZINC000898598844 584144438 /nfs/dbraw/zinc/14/44/38/584144438.db2.gz DCPJEMNKYSSBSN-JTQLQIEISA-N 2 0 225.336 0.243 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000899224162 584184481 /nfs/dbraw/zinc/18/44/81/584184481.db2.gz MSUDQJDVETYKSJ-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000899224163 584184677 /nfs/dbraw/zinc/18/46/77/584184677.db2.gz MSUDQJDVETYKSJ-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](NC(=[NH2+])NCCN(C)C1CC1)C1CC1 ZINC000899264729 584188964 /nfs/dbraw/zinc/18/89/64/584188964.db2.gz JZLYEKHIRVOCMI-VIFPVBQESA-N 2 0 224.352 0.993 20 0 BCADRP C[NH2+][C@@H](C)c1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899740925 584233402 /nfs/dbraw/zinc/23/34/02/584233402.db2.gz LELUCHVVAJZHRN-WDEREUQCSA-N 2 0 237.351 0.948 20 0 BCADRP CC[C@H](O)C[N@@H+]1CCC12CC[NH+](C)CC2 ZINC000899911340 584252840 /nfs/dbraw/zinc/25/28/40/584252840.db2.gz SJJAXGYRNPXXEZ-NSHDSACASA-N 2 0 212.337 0.927 20 0 BCADRP C[NH2+][C@H](C)Cc1noc([C@@]2(C)CCC[NH2+]2)n1 ZINC000900008647 584265107 /nfs/dbraw/zinc/26/51/07/584265107.db2.gz NXVUROABRKCXTL-LDYMZIIASA-N 2 0 224.308 0.819 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361473 584572888 /nfs/dbraw/zinc/57/28/88/584572888.db2.gz PPRBKVJSTBCABW-DGCLKSJQSA-N 2 0 244.379 0.752 20 0 BCADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CC1([NH3+])CC1 ZINC000902408172 584574755 /nfs/dbraw/zinc/57/47/55/584574755.db2.gz XZROKBPKXHZWIA-LLVKDONJSA-N 2 0 222.336 0.989 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1([NH3+])CC1 ZINC000902410720 584576295 /nfs/dbraw/zinc/57/62/95/584576295.db2.gz UBVFJXYVMQWNNE-IXBNRNDTSA-N 3 0 209.337 0.583 20 0 BCADRP COC[C@H](CO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902380582 584576686 /nfs/dbraw/zinc/57/66/86/584576686.db2.gz AUSMGACOPDAKIE-QWRGUYRKSA-N 2 0 230.352 0.362 20 0 BCADRP C[NH2+]CCCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391719 584582789 /nfs/dbraw/zinc/58/27/89/584582789.db2.gz ZGRHNVCJSUAQGS-LLVKDONJSA-N 2 0 213.369 0.964 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C/C=C\CO)C1 ZINC000902393064 584583251 /nfs/dbraw/zinc/58/32/51/584583251.db2.gz OJNFUPWZKGNVPA-DLRQAJBASA-N 2 0 212.337 0.903 20 0 BCADRP C[N@@H+]1CC[C@H](NCC2([NH3+])CC2)[C@H]2CCC[C@@H]21 ZINC000902403604 584588109 /nfs/dbraw/zinc/58/81/09/584588109.db2.gz ADXBKRRBSLLXCP-WOPDTQHZSA-N 2 0 223.364 0.940 20 0 BCADRP C[C@H]([NH2+]CC1([NH3+])CC1)C(C)(C)n1cncn1 ZINC000902404206 584588835 /nfs/dbraw/zinc/58/88/35/584588835.db2.gz CTSRTUCLRFGXJT-VIFPVBQESA-N 2 0 223.324 0.483 20 0 BCADRP NOCCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000902415453 584589838 /nfs/dbraw/zinc/58/98/38/584589838.db2.gz OCYNCWPFMCUJQB-VHSXEESVSA-N 2 0 201.314 0.516 20 0 BCADRP CCC[NH+]1CCC([NH2+]CCCON)CC1 ZINC000902417647 584591118 /nfs/dbraw/zinc/59/11/18/584591118.db2.gz BWCCIEWDCDYKOP-UHFFFAOYSA-N 2 0 215.341 0.731 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCCON)CC[N@@H+]1C ZINC000902420520 584592280 /nfs/dbraw/zinc/59/22/80/584592280.db2.gz XZCMAXTYXXSWEF-UWVGGRQHSA-N 2 0 201.314 0.339 20 0 BCADRP COC[C@H](CCC[NH3+])N[C@H]1C[NH2+]CC1(C)C ZINC000902440828 584597279 /nfs/dbraw/zinc/59/72/79/584597279.db2.gz APBPXNRDBSSDRY-QWRGUYRKSA-N 2 0 229.368 0.328 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000902441508 584597600 /nfs/dbraw/zinc/59/76/00/584597600.db2.gz DMELIQRMOQWSHN-WDEREUQCSA-N 2 0 211.353 0.716 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000902441909 584597643 /nfs/dbraw/zinc/59/76/43/584597643.db2.gz FWHDTNPKOXLUET-MCDVFOBDSA-N 2 0 235.375 0.570 20 0 BCADRP [NH3+]C1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000902413509 584599985 /nfs/dbraw/zinc/59/99/85/584599985.db2.gz NFCCIPYWJKQMJF-QWRGUYRKSA-N 2 0 209.337 0.694 20 0 BCADRP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[N@@H+]1C ZINC000902474250 584601889 /nfs/dbraw/zinc/60/18/89/584601889.db2.gz DHRBAWBGBKNTPX-NAWOPXAZSA-N 2 0 223.364 0.952 20 0 BCADRP C[C@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[N@@H+]1C ZINC000902474241 584602064 /nfs/dbraw/zinc/60/20/64/584602064.db2.gz DHRBAWBGBKNTPX-CKIKVBCHSA-N 2 0 223.364 0.952 20 0 BCADRP C[C@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[N@@H+]1C ZINC000902474245 584602182 /nfs/dbraw/zinc/60/21/82/584602182.db2.gz DHRBAWBGBKNTPX-FPYNETTCSA-N 2 0 223.364 0.952 20 0 BCADRP C(N[C@H]1C[NH2+]CCOC1)[C@H]1CCCCC[NH2+]1 ZINC000902477790 584603197 /nfs/dbraw/zinc/60/31/97/584603197.db2.gz SCFYEUMRKKNULY-NEPJUHHUSA-N 2 0 227.352 0.097 20 0 BCADRP C[C@H]([NH2+]Cc1ccc2nonc2c1)C1C[NH2+]C1 ZINC000902453441 584607843 /nfs/dbraw/zinc/60/78/43/584607843.db2.gz CWDYCMBQEUOKGV-QMMMGPOBSA-N 2 0 232.287 0.920 20 0 BCADRP [NH3+][C@@H]1C[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C12CCC2 ZINC000902463218 584612464 /nfs/dbraw/zinc/61/24/64/584612464.db2.gz ZYPQELGXKVIKOB-KQSJRHEJSA-N 2 0 221.348 0.739 20 0 BCADRP C[C@@H]1C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[N@@H+]1C ZINC000902464873 584612967 /nfs/dbraw/zinc/61/29/67/584612967.db2.gz DHRBAWBGBKNTPX-KSSYENDESA-N 2 0 223.364 0.952 20 0 BCADRP C[C@H]1C[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[N@@H+]1C ZINC000902464870 584613174 /nfs/dbraw/zinc/61/31/74/584613174.db2.gz DHRBAWBGBKNTPX-KIJLLGNVSA-N 2 0 223.364 0.952 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902465890 584614252 /nfs/dbraw/zinc/61/42/52/584614252.db2.gz GQEAVMQYZNFKJJ-PZWNZHSQSA-N 2 0 209.337 0.739 20 0 BCADRP C1CC2(C1)[NH2+]CC[C@H]2N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466862 584614996 /nfs/dbraw/zinc/61/49/96/584614996.db2.gz NYLVLYGBLNBDDI-WRWGMCAJSA-N 2 0 221.348 0.754 20 0 BCADRP C1C[C@@H]2[NH2+][C@H]1C[C@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000902469275 584615567 /nfs/dbraw/zinc/61/55/67/584615567.db2.gz VNLUXSMFYWQZSE-CLHCLYRXSA-N 3 0 235.375 0.857 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CCN1C ZINC000902490059 584617538 /nfs/dbraw/zinc/61/75/38/584617538.db2.gz RHZLXOBFOKWXMO-WISYIIOYSA-N 2 0 211.353 0.796 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902472124 584617624 /nfs/dbraw/zinc/61/76/24/584617624.db2.gz XHICOQLMJSCDQC-IYKVGLELSA-N 2 0 209.337 0.419 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000902490800 584618017 /nfs/dbraw/zinc/61/80/17/584618017.db2.gz VXTQQVDWLNHTRL-BQUFFADESA-N 2 0 239.363 0.080 20 0 BCADRP COC[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)C(C)C ZINC000902491357 584618501 /nfs/dbraw/zinc/61/85/01/584618501.db2.gz WAQHLHCBWFSCOX-DCAQKATOSA-N 2 0 200.326 0.984 20 0 BCADRP COC[C@@H](O)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000902513363 584623145 /nfs/dbraw/zinc/62/31/45/584623145.db2.gz FRLYKHASCNYFMV-DCAQKATOSA-N 2 0 216.325 0.243 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cnc2n1CCOC2 ZINC000902513172 584623484 /nfs/dbraw/zinc/62/34/84/584623484.db2.gz LOFUKFFYNWZJST-VHSXEESVSA-N 2 0 238.335 0.629 20 0 BCADRP C[C@@H](NC[C@H]1CCCCC[NH2+]1)C1C[NH2+]C1 ZINC000902482115 584623796 /nfs/dbraw/zinc/62/37/96/584623796.db2.gz JHLGMGFMCOCWJS-ZYHUDNBSSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@H](NC[C@H]1CCCCC[NH2+]1)C1C[NH2+]C1 ZINC000902482112 584624340 /nfs/dbraw/zinc/62/43/40/584624340.db2.gz JHLGMGFMCOCWJS-CMPLNLGQSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccnn1C ZINC000902484632 584624634 /nfs/dbraw/zinc/62/46/34/584624634.db2.gz GNVPSMCBSQVPDR-GUBZILKMSA-N 2 0 208.309 0.808 20 0 BCADRP C[C@H](CCCCO)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486113 584625318 /nfs/dbraw/zinc/62/53/18/584625318.db2.gz PSOBTVJGRMHTSA-GMTAPVOTSA-N 2 0 200.326 0.864 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000902487192 584625951 /nfs/dbraw/zinc/62/59/51/584625951.db2.gz JKOFUNPLSSFXBF-XWLWVQCSSA-N 3 0 209.337 0.583 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000902488249 584627038 /nfs/dbraw/zinc/62/70/38/584627038.db2.gz MKRAYYLUOKUCTG-XDQOZGBTSA-N 3 0 221.348 0.310 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000902515176 584629300 /nfs/dbraw/zinc/62/93/00/584629300.db2.gz SYTZTTPEDPDUTP-UMSGYPCISA-N 2 0 242.363 0.504 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000902520396 584631672 /nfs/dbraw/zinc/63/16/72/584631672.db2.gz OMENVQZPLQOSOU-AVGNSLFASA-N 2 0 242.363 0.755 20 0 BCADRP C[NH+](C)CCC[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903056186 584722454 /nfs/dbraw/zinc/72/24/54/584722454.db2.gz RHGJMRVBJFFIMX-RYUDHWBXSA-N 2 0 228.336 0.476 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903426437 584761237 /nfs/dbraw/zinc/76/12/37/584761237.db2.gz IVUGKEHPXJYDLW-WISYIIOYSA-N 2 0 227.352 0.162 20 0 BCADRP COC[C@@](C)(CCO)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903441266 584763879 /nfs/dbraw/zinc/76/38/79/584763879.db2.gz KGLPNHKSSOOBDK-GRYCIOLGSA-N 2 0 230.352 0.491 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C[C@H]1CCC[NH2+]1 ZINC000903422350 584764222 /nfs/dbraw/zinc/76/42/22/584764222.db2.gz ZJKIPCYQJLRAIN-UTUOFQBUSA-N 2 0 211.353 0.940 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903422320 584764226 /nfs/dbraw/zinc/76/42/26/584764226.db2.gz YBWHOHPWTBINLC-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C[C@H]1CCC[NH2+]1 ZINC000903422348 584764499 /nfs/dbraw/zinc/76/44/99/584764499.db2.gz ZJKIPCYQJLRAIN-QJPTWQEYSA-N 2 0 211.353 0.940 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000903424786 584765059 /nfs/dbraw/zinc/76/50/59/584765059.db2.gz GWXOMXPUKRLIOF-NDBYEHHHSA-N 2 0 225.380 0.901 20 0 BCADRP C[C@H]1CCCN(C[C@H]2CCC[NH2+]2)[C@H]1C[NH3+] ZINC000903424854 584765181 /nfs/dbraw/zinc/76/51/81/584765181.db2.gz JDCXKOBCKMTZKX-TUAOUCFPSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903424804 584765508 /nfs/dbraw/zinc/76/55/08/584765508.db2.gz HODNCIDPIOCREU-XQHKEYJVSA-N 2 0 223.364 0.668 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000903458889 584766196 /nfs/dbraw/zinc/76/61/96/584766196.db2.gz MKPDSNSECCTTJS-LOWDOPEQSA-N 2 0 225.380 0.759 20 0 BCADRP CON1CC[C@@H]([NH+]2CCC(CC[NH3+])CC2)C1=O ZINC000903461202 584766722 /nfs/dbraw/zinc/76/67/22/584766722.db2.gz PFBQFGFEDLBSFL-LLVKDONJSA-N 2 0 241.335 0.210 20 0 BCADRP C[N@@H+](Cc1cc[nH]n1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903444076 584768582 /nfs/dbraw/zinc/76/85/82/584768582.db2.gz OZFWBHKJOSADAS-ZJUUUORDSA-N 2 0 208.309 0.969 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000903445204 584769519 /nfs/dbraw/zinc/76/95/19/584769519.db2.gz HRPFJTCOFRFGLU-MDZLAQPJSA-N 2 0 223.364 0.668 20 0 BCADRP [NH3+][C@@H]1CC[C@H](CN(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000903445991 584769991 /nfs/dbraw/zinc/76/99/91/584769991.db2.gz QLTIRWFALRXLGM-LOWVWBTDSA-N 2 0 223.364 0.940 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000903449253 584771085 /nfs/dbraw/zinc/77/10/85/584771085.db2.gz QYDAFKNIQVCAEI-FRRDWIJNSA-N 2 0 223.364 0.527 20 0 BCADRP CC[C@@H]1CN(C[C@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000903449466 584771093 /nfs/dbraw/zinc/77/10/93/584771093.db2.gz CBKUKIXLMGEBGZ-UTUOFQBUSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@@H](C[NH3+])C(F)(F)F ZINC000903464564 584771213 /nfs/dbraw/zinc/77/12/13/584771213.db2.gz RNUZOSUMRGYLPL-VGMNWLOBSA-N 2 0 239.285 0.663 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000903452647 584771687 /nfs/dbraw/zinc/77/16/87/584771687.db2.gz PFFDQKLROKTHGS-OLZOCXBDSA-N 3 0 237.391 0.917 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903450414 584771840 /nfs/dbraw/zinc/77/18/40/584771840.db2.gz UZEYIBOEJCQRRO-VXGBXAGGSA-N 2 0 211.353 0.799 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000903452336 584771873 /nfs/dbraw/zinc/77/18/73/584771873.db2.gz LEFFVKOBVBAOMV-RVMXOQNASA-N 3 0 223.364 0.798 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000903451699 584771898 /nfs/dbraw/zinc/77/18/98/584771898.db2.gz CLYHLUPXZUFDPX-RDBSUJKOSA-N 2 0 237.391 0.917 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000903449982 584772236 /nfs/dbraw/zinc/77/22/36/584772236.db2.gz ZBRPCPIYEZFNBY-YNEHKIRRSA-N 3 0 223.364 0.799 20 0 BCADRP [NH3+][C@@H]1CC[C@H](CN2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000903453788 584772608 /nfs/dbraw/zinc/77/26/08/584772608.db2.gz LNKGQFNWKKMYMI-WUHRBBMRSA-N 2 0 223.364 0.798 20 0 BCADRP Cn1ccnc1[C@@H]1C[NH2+]CCN1C[C@H]1CCC[NH2+]1 ZINC000903453089 584772909 /nfs/dbraw/zinc/77/29/09/584772909.db2.gz YXXACOMEHSWFJX-NEPJUHHUSA-N 2 0 249.362 0.118 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000903453055 584772913 /nfs/dbraw/zinc/77/29/13/584772913.db2.gz XOVMBHNKAPZWHH-FVCCEPFGSA-N 2 0 223.364 0.526 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000903454012 584773030 /nfs/dbraw/zinc/77/30/30/584773030.db2.gz RFPZWKDNKAVGRJ-UTUOFQBUSA-N 2 0 209.337 0.565 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000903453583 584773039 /nfs/dbraw/zinc/77/30/39/584773039.db2.gz CNVXMMWIZIHVEZ-WYUUTHIRSA-N 2 0 209.337 0.136 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000903453058 584773048 /nfs/dbraw/zinc/77/30/48/584773048.db2.gz XOVMBHNKAPZWHH-VOAKCMCISA-N 2 0 223.364 0.526 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H](C[NH3+])C(C)(C)C ZINC000903455285 584773913 /nfs/dbraw/zinc/77/39/13/584773913.db2.gz SJXMXSLCHDFKQS-VWYCJHECSA-N 2 0 213.369 0.805 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H](C[NH3+])C(C)(C)C ZINC000903455284 584774290 /nfs/dbraw/zinc/77/42/90/584774290.db2.gz SJXMXSLCHDFKQS-OUAUKWLOSA-N 2 0 213.369 0.805 20 0 BCADRP CN(C)C(=O)NCC[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903456059 584774341 /nfs/dbraw/zinc/77/43/41/584774341.db2.gz DRGRGLQTOSMHJA-MNOVXSKESA-N 2 0 242.367 0.317 20 0 BCADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903471293 584775578 /nfs/dbraw/zinc/77/55/78/584775578.db2.gz IECDIQYWNHQILO-VXGBXAGGSA-N 3 0 223.364 0.860 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000903470814 584775621 /nfs/dbraw/zinc/77/56/21/584775621.db2.gz DHCQAKAFKBADCD-GRYCIOLGSA-N 2 0 223.364 0.716 20 0 BCADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903471290 584775666 /nfs/dbraw/zinc/77/56/66/584775666.db2.gz IECDIQYWNHQILO-NEPJUHHUSA-N 3 0 223.364 0.860 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH2+]CCC1(C)C ZINC000903475766 584776563 /nfs/dbraw/zinc/77/65/63/584776563.db2.gz CJNFQWCABBFRGB-NEPJUHHUSA-N 2 0 225.380 0.916 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000903475987 584776588 /nfs/dbraw/zinc/77/65/88/584776588.db2.gz JREZFYUGUAOMMQ-WOPDTQHZSA-N 2 0 209.337 0.565 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C[C@H]3CCC[NH2+]3)CC[C@@H]21 ZINC000903476465 584777236 /nfs/dbraw/zinc/77/72/36/584777236.db2.gz XREFVPAVLOKUOX-XQQFMLRXSA-N 2 0 223.364 0.764 20 0 BCADRP C(N[C@@H]1CC[NH2+]C12CCCC2)[C@@H]1C[NH2+]CCO1 ZINC000903482249 584778800 /nfs/dbraw/zinc/77/88/00/584778800.db2.gz ZUNOBNDZCPJHCA-NWDGAFQWSA-N 2 0 239.363 0.239 20 0 BCADRP [NH3+]CCN(C[C@H]1CCC[NH2+]1)CC(F)(F)F ZINC000903482842 584779006 /nfs/dbraw/zinc/77/90/06/584779006.db2.gz VNVYZSAUOKDAGA-MRVPVSSYSA-N 2 0 225.258 0.561 20 0 BCADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CC[NH2+]C1 ZINC000903465158 584779239 /nfs/dbraw/zinc/77/92/39/584779239.db2.gz DYTMKCQTULNAST-MNOVXSKESA-N 2 0 209.337 0.470 20 0 BCADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CC[NH2+]C1 ZINC000903465159 584779270 /nfs/dbraw/zinc/77/92/70/584779270.db2.gz DYTMKCQTULNAST-QWRGUYRKSA-N 2 0 209.337 0.470 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1CC[NH3+] ZINC000903498557 584780291 /nfs/dbraw/zinc/78/02/91/584780291.db2.gz KPFCLFKUUNWSMU-IJLUTSLNSA-N 2 0 249.362 0.682 20 0 BCADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C(C)C)C2 ZINC000903490630 584780876 /nfs/dbraw/zinc/78/08/76/584780876.db2.gz AVSDJGVFWLYJEF-UMNHJUIQSA-N 2 0 226.320 0.607 20 0 BCADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(C)C)C2 ZINC000903491047 584780999 /nfs/dbraw/zinc/78/09/99/584780999.db2.gz SJRFPZZMSZLQEZ-LOWVWBTDSA-N 2 0 240.347 0.855 20 0 BCADRP C[NH2+]C[C@@H]1CCCCN1C[C@@H]1CCc2ncnn21 ZINC000903527405 584781873 /nfs/dbraw/zinc/78/18/73/584781873.db2.gz YIPYQFRIKBJODO-RYUDHWBXSA-N 2 0 249.362 0.839 20 0 BCADRP C[NH2+]C[C@@H]1CCCCN1C[C@@H]1C[NH2+]CCO1 ZINC000903526485 584781900 /nfs/dbraw/zinc/78/19/00/584781900.db2.gz IBCBIUTVRZZHKL-RYUDHWBXSA-N 2 0 227.352 0.049 20 0 BCADRP C[C@@]1([C@@H]2CCC[N@H+](CCC[NH3+])C2)COC(=O)N1 ZINC000903560814 584782112 /nfs/dbraw/zinc/78/21/12/584782112.db2.gz AUUFECPIKWUKEC-PWSUYJOCSA-N 2 0 241.335 0.546 20 0 BCADRP C[C@]1([C@@H]2CCC[N@H+](CCC[NH3+])C2)COC(=O)N1 ZINC000903560815 584782333 /nfs/dbraw/zinc/78/23/33/584782333.db2.gz AUUFECPIKWUKEC-ZYHUDNBSSA-N 2 0 241.335 0.546 20 0 BCADRP CC1(C)C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]1N ZINC000903556986 584783067 /nfs/dbraw/zinc/78/30/67/584783067.db2.gz JBMZWQQVHAOTRK-QWRGUYRKSA-N 3 0 211.353 0.655 20 0 BCADRP C[C@H]1CN(CCN2C[C@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903556782 584783196 /nfs/dbraw/zinc/78/31/96/584783196.db2.gz DTUOINSTZZAWGF-RYUDHWBXSA-N 2 0 241.379 0.376 20 0 BCADRP C[N@H+](CCC[NH3+])C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718084 584792127 /nfs/dbraw/zinc/79/21/27/584792127.db2.gz ZJSMRKMVKGXEHU-NEPJUHHUSA-N 3 0 227.352 0.036 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)CCC[NH3+] ZINC000903717801 584792292 /nfs/dbraw/zinc/79/22/92/584792292.db2.gz WYCUDYDCSTZZOU-VHSXEESVSA-N 2 0 214.309 0.466 20 0 BCADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000903717269 584792303 /nfs/dbraw/zinc/79/23/03/584792303.db2.gz MCBKLJQNNCPGRI-CYDGBPFRSA-N 2 0 242.363 0.753 20 0 BCADRP C[C@](C[NH3+])([NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1)C1CC1 ZINC000903716996 584792477 /nfs/dbraw/zinc/79/24/77/584792477.db2.gz GFDQACXZGWYVAS-GWNIPJSYSA-N 2 0 240.347 0.507 20 0 BCADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000903717271 584792585 /nfs/dbraw/zinc/79/25/85/584792585.db2.gz MCBKLJQNNCPGRI-VOAKCMCISA-N 2 0 242.363 0.753 20 0 BCADRP C[NH2+][C@@H]1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903713413 584793320 /nfs/dbraw/zinc/79/33/20/584793320.db2.gz PSVKXFWJWQNHHL-JHJVBQTASA-N 2 0 239.363 0.049 20 0 BCADRP [NH3+]C1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903713367 584793361 /nfs/dbraw/zinc/79/33/61/584793361.db2.gz OLXZYTWRQGGKCO-NSHDSACASA-N 2 0 211.353 0.799 20 0 BCADRP C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH2+]CC1 ZINC000903713361 584793385 /nfs/dbraw/zinc/79/33/85/584793385.db2.gz OKRMGEGRCSOAOU-LBPRGKRZSA-N 2 0 239.363 0.050 20 0 BCADRP [NH3+][C@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903713484 584793400 /nfs/dbraw/zinc/79/34/00/584793400.db2.gz SDJSUSPVUNOLHN-RYUDHWBXSA-N 2 0 211.353 0.799 20 0 BCADRP C[NH2+][C@@H]1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903713411 584793405 /nfs/dbraw/zinc/79/34/05/584793405.db2.gz PSVKXFWJWQNHHL-AGIUHOORSA-N 2 0 239.363 0.049 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)C1CC[NH2+]CC1 ZINC000903713629 584793446 /nfs/dbraw/zinc/79/34/46/584793446.db2.gz XXYPXKUCYAHXIK-CMPLNLGQSA-N 2 0 240.347 0.869 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000903713539 584793503 /nfs/dbraw/zinc/79/35/03/584793503.db2.gz USSHKDORCMPBLU-SDDRHHMPSA-N 2 0 240.347 0.856 20 0 BCADRP [NH3+]C1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903713431 584793699 /nfs/dbraw/zinc/79/36/99/584793699.db2.gz QFOROARBSZLXRV-CHWSQXEVSA-N 3 0 239.363 0.178 20 0 BCADRP O[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@@H]1F ZINC000903712935 584793734 /nfs/dbraw/zinc/79/37/34/584793734.db2.gz VPNAACSISLSICX-QWRGUYRKSA-N 2 0 216.300 0.391 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000903716051 584793984 /nfs/dbraw/zinc/79/39/84/584793984.db2.gz GWIKKUGYXPOWOS-WRWGMCAJSA-N 2 0 240.347 0.855 20 0 BCADRP FCCn1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000903747549 584794766 /nfs/dbraw/zinc/79/47/66/584794766.db2.gz TWZROXURJWZMOY-TXEJJXNPSA-N 2 0 238.310 0.504 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903752750 584795971 /nfs/dbraw/zinc/79/59/71/584795971.db2.gz WGKINCIQGUGJFB-QNWHQSFQSA-N 2 0 239.363 0.177 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903752752 584796143 /nfs/dbraw/zinc/79/61/43/584796143.db2.gz WGKINCIQGUGJFB-ZDEQEGDKSA-N 2 0 239.363 0.177 20 0 BCADRP [NH3+]C[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000903744390 584796401 /nfs/dbraw/zinc/79/64/01/584796401.db2.gz RSCAMENXVJQKEH-NWDGAFQWSA-N 2 0 227.352 0.036 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[NH2+]CC1([NH3+])CCC1 ZINC000903743355 584796829 /nfs/dbraw/zinc/79/68/29/584796829.db2.gz JAVLWJKZNCZZSH-VHSXEESVSA-N 2 0 226.320 0.657 20 0 BCADRP [NH3+]C1(C[NH2+]C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCC1 ZINC000903743349 584796927 /nfs/dbraw/zinc/79/69/27/584796927.db2.gz IXKCMRCTZKPMCE-NWDGAFQWSA-N 3 0 239.363 0.226 20 0 BCADRP C[N@H+](C[C@H]1COCCO1)C[C@H]1CCCC[NH2+]C1 ZINC000903765456 584797062 /nfs/dbraw/zinc/79/70/62/584797062.db2.gz HKAFTLYXVMGMLX-STQMWFEESA-N 2 0 242.363 0.723 20 0 BCADRP [NH3+]CC1(O)CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903761604 584797112 /nfs/dbraw/zinc/79/71/12/584797112.db2.gz WZWTUEZRYRQUEG-LBPRGKRZSA-N 3 0 241.379 0.162 20 0 BCADRP C[C@H]([NH3+])CN(C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903775072 584799213 /nfs/dbraw/zinc/79/92/13/584799213.db2.gz HGNFZJKMCJGRAP-QJPTWQEYSA-N 2 0 227.352 0.034 20 0 BCADRP C([C@@H]1CCCC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000903778023 584799687 /nfs/dbraw/zinc/79/96/87/584799687.db2.gz ITBMJOZFGURCSR-WOPDTQHZSA-N 2 0 209.337 0.422 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C[C@@H]1CCCC[NH2+]C1 ZINC000903779161 584799786 /nfs/dbraw/zinc/79/97/86/584799786.db2.gz UYYVCSNXMKEMNZ-UTUOFQBUSA-N 2 0 211.353 0.798 20 0 BCADRP [NH3+][C@]1(CO)CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903786100 584800018 /nfs/dbraw/zinc/80/00/18/584800018.db2.gz DJTJXDTZNWDBCX-QWHCGFSZSA-N 2 0 241.379 0.162 20 0 BCADRP C[NH2+]CCCN1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903802285 584801963 /nfs/dbraw/zinc/80/19/63/584801963.db2.gz RNGCUZKTGHETHN-NWDGAFQWSA-N 2 0 211.353 0.799 20 0 BCADRP C[N@H+](CC[C@H]1CC[NH2+]C1)C1(CN)CCOCC1 ZINC000903809680 584803724 /nfs/dbraw/zinc/80/37/24/584803724.db2.gz ISPRDBYLNXDDSH-GFCCVEGCSA-N 2 0 241.379 0.426 20 0 BCADRP Cc1noc(C[C@H]2CCC[N@H+](CCC[NH3+])C2)n1 ZINC000903823032 584804398 /nfs/dbraw/zinc/80/43/98/584804398.db2.gz BQLBNPVGUHFGPB-LLVKDONJSA-N 2 0 238.335 0.981 20 0 BCADRP CC[N@@H+](CCC(=O)NC)CCC1CC[NH2+]CC1 ZINC000903827497 584805002 /nfs/dbraw/zinc/80/50/02/584805002.db2.gz UNSIQIGALZBYLH-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP C[C@H]1CCOCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000903831327 584805387 /nfs/dbraw/zinc/80/53/87/584805387.db2.gz IFCLWJUEOUENPL-LBPRGKRZSA-N 2 0 227.352 0.002 20 0 BCADRP OCC[C@H]1COCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903830190 584805506 /nfs/dbraw/zinc/80/55/06/584805506.db2.gz VWRAMKHXQJUUNR-NEPJUHHUSA-N 2 0 228.336 0.069 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@H+](C)[C@@H]1CC[C@H]1OC ZINC000903830163 584805529 /nfs/dbraw/zinc/80/55/29/584805529.db2.gz VIBHFQORZRJQLA-MXWKQRLJSA-N 2 0 216.325 0.066 20 0 BCADRP C[C@H]1CCOCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903833449 584806296 /nfs/dbraw/zinc/80/62/96/584806296.db2.gz WVOAHQBNXYJEFB-RYUDHWBXSA-N 2 0 240.347 0.618 20 0 BCADRP COCC[C@H]1CNCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903838496 584806737 /nfs/dbraw/zinc/80/67/37/584806737.db2.gz YMCWGFJTGFVEBW-STQMWFEESA-N 2 0 241.379 0.296 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CCC[NH2+]C1CC1)C2 ZINC000903839024 584806933 /nfs/dbraw/zinc/80/69/33/584806933.db2.gz HHPQIVOVHGVPPP-LOWVWBTDSA-N 2 0 223.364 0.940 20 0 BCADRP O[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C[C@@H]1F ZINC000903840192 584807105 /nfs/dbraw/zinc/80/71/05/584807105.db2.gz PETMQDWUKVESAG-RYUDHWBXSA-N 2 0 230.327 0.781 20 0 BCADRP O[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1F ZINC000903841051 584807221 /nfs/dbraw/zinc/80/72/21/584807221.db2.gz WIAJZQSAIGREJS-IJLUTSLNSA-N 2 0 230.327 0.781 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000903843334 584807759 /nfs/dbraw/zinc/80/77/59/584807759.db2.gz IVKVHMLOWMOWIS-RHYQMDGZSA-N 3 0 209.337 0.408 20 0 BCADRP NC[C@]12CC[C@H]1CC[N@@H+]2CC1CC[NH2+]CC1 ZINC000903850134 584808042 /nfs/dbraw/zinc/80/80/42/584808042.db2.gz KWAJNJBSVOBTFJ-QWHCGFSZSA-N 2 0 223.364 0.799 20 0 BCADRP CCOCC[C@H](O)CN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903864700 584813367 /nfs/dbraw/zinc/81/33/67/584813367.db2.gz VTLQPFWAVUEKFQ-FRRDWIJNSA-N 2 0 242.363 0.587 20 0 BCADRP CN(CCN1CCCC1=O)C[C@H]([NH3+])CC(F)F ZINC000903891749 584814124 /nfs/dbraw/zinc/81/41/24/584814124.db2.gz CIALAMFCVAHKQK-SECBINFHSA-N 2 0 249.305 0.523 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@]12CC[NH2+]C2 ZINC000903870685 584814549 /nfs/dbraw/zinc/81/45/49/584814549.db2.gz PIWNNDBZDNYRAG-AGIUHOORSA-N 2 0 223.364 0.670 20 0 BCADRP [NH3+]C[C@H]1CCCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903873091 584814951 /nfs/dbraw/zinc/81/49/51/584814951.db2.gz FMKAZRKQFCMXSE-RKDXNWHRSA-N 2 0 221.295 0.640 20 0 BCADRP CCN(C)C(=O)CCN1CCC[C@@]12CC[NH2+]C2 ZINC000903871424 584815270 /nfs/dbraw/zinc/81/52/70/584815270.db2.gz UKIUKDJJMXXXIM-ZDUSSCGKSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000903871528 584815454 /nfs/dbraw/zinc/81/54/54/584815454.db2.gz RAXGCSVZSKVUAZ-WOPDTQHZSA-N 2 0 244.404 0.642 20 0 BCADRP C[NH2+]CC1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903874322 584815702 /nfs/dbraw/zinc/81/57/02/584815702.db2.gz XYJKCXXCIYUQLK-SNVBAGLBSA-N 2 0 235.322 0.900 20 0 BCADRP C[NH2+][C@H]1CCCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903874286 584815786 /nfs/dbraw/zinc/81/57/86/584815786.db2.gz XHFFQMYHFAJGAB-BDAKNGLRSA-N 2 0 221.295 0.653 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN1CCC[NH2+]CC1 ZINC000903874018 584815880 /nfs/dbraw/zinc/81/58/80/584815880.db2.gz QRDPMJZYSPIWCR-QMMMGPOBSA-N 2 0 207.268 0.264 20 0 BCADRP C[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)C[C@H](C)[NH2+]1 ZINC000903874099 584816162 /nfs/dbraw/zinc/81/61/62/584816162.db2.gz SHVXLANBEGQZBF-YIZRAAEISA-N 2 0 221.295 0.651 20 0 BCADRP NC(=O)CC1([NH2+]CCOCC[NH3+])CCCCC1 ZINC000903875083 584816731 /nfs/dbraw/zinc/81/67/31/584816731.db2.gz MBIXOMHXEFNYDN-UHFFFAOYSA-N 2 0 243.351 0.130 20 0 BCADRP COC[C@@H]1C[NH2+]CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000903880437 584817308 /nfs/dbraw/zinc/81/73/08/584817308.db2.gz IFTHCUPTLQUAHW-STQMWFEESA-N 2 0 241.379 0.296 20 0 BCADRP CC[C@H]1C(=O)NCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903882023 584817604 /nfs/dbraw/zinc/81/76/04/584817604.db2.gz JHNPGMBICFPHMV-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP COC[C@@H]1C[NH2+]CCN1CCCCCC[NH3+] ZINC000903881251 584817625 /nfs/dbraw/zinc/81/76/25/584817625.db2.gz PHDXCOSXEWFGEI-LBPRGKRZSA-N 2 0 229.368 0.426 20 0 BCADRP COC(=O)C[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903883756 584818201 /nfs/dbraw/zinc/81/82/01/584818201.db2.gz JSEUUATZOFYKFG-FGWVZKOKSA-N 2 0 226.320 0.622 20 0 BCADRP [NH3+]C[C@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903906393 584821181 /nfs/dbraw/zinc/82/11/81/584821181.db2.gz VVSIHDCNGOABNZ-WVMKXHBISA-N 2 0 239.363 0.177 20 0 BCADRP C[N@H+](CCOCCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903910529 584822093 /nfs/dbraw/zinc/82/20/93/584822093.db2.gz NEVHSOVVUFCNDL-YHWZYXNKSA-N 2 0 242.363 0.458 20 0 BCADRP OC[C@]1(F)CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903918471 584822350 /nfs/dbraw/zinc/82/23/50/584822350.db2.gz ZZOAUAWMGSJTQN-WVMKXHBISA-N 2 0 242.338 0.923 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920980 584822963 /nfs/dbraw/zinc/82/29/63/584822963.db2.gz ZGCITCNYTBJHDE-IACCCYARSA-N 3 0 211.353 0.842 20 0 BCADRP C[C@@H](C[NH3+])NCc1cccc2c1CC[NH2+]C2 ZINC000903918739 584823081 /nfs/dbraw/zinc/82/30/81/584823081.db2.gz GSLTXHJGFZSFFC-JTQLQIEISA-N 2 0 219.332 0.769 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC[C@H]([NH3+])CC(F)F ZINC000903920537 584823154 /nfs/dbraw/zinc/82/31/54/584823154.db2.gz VWSZQQDQUDJQPG-RKDXNWHRSA-N 2 0 235.322 0.947 20 0 BCADRP CC(C)C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903924883 584823655 /nfs/dbraw/zinc/82/36/55/584823655.db2.gz JFAXWCOXYXXCJL-NSHDSACASA-N 2 0 237.351 0.948 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000903929175 584824319 /nfs/dbraw/zinc/82/43/19/584824319.db2.gz BIKWQMBVMXQJNP-ONGXEEELSA-N 2 0 233.306 0.797 20 0 BCADRP C([NH2+]C[C@@H]1CNCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903929762 584824342 /nfs/dbraw/zinc/82/43/42/584824342.db2.gz KXYTZXGZYQYEBG-WVMKXHBISA-N 3 0 239.363 0.095 20 0 BCADRP C[C@@H]1CCN(C[C@@H]([NH3+])CC(F)F)C[C@@H]1C[NH3+] ZINC000903929815 584824350 /nfs/dbraw/zinc/82/43/50/584824350.db2.gz LZBAECODAWZKDR-UTLUCORTSA-N 2 0 235.322 0.886 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000903932759 584824924 /nfs/dbraw/zinc/82/49/24/584824924.db2.gz GGZSNTBWVAKYEF-BWZBUEFSSA-N 2 0 225.258 0.340 20 0 BCADRP C[C@@H]1CC[C@H](NC[C@H]([NH3+])CC(F)F)C[NH2+]1 ZINC000903936200 584825438 /nfs/dbraw/zinc/82/54/38/584825438.db2.gz ZECKYYLBJJQYAG-HLTSFMKQSA-N 2 0 221.295 0.699 20 0 BCADRP C[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)C[C@H]1C[NH3+] ZINC000903936146 584825553 /nfs/dbraw/zinc/82/55/53/584825553.db2.gz YTLHQIZYDZLRGC-HLTSFMKQSA-N 2 0 221.295 0.496 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC[C@H]([NH3+])CC(F)F ZINC000903936132 584825814 /nfs/dbraw/zinc/82/58/14/584825814.db2.gz YPARFDBRAZFCON-XLPZGREQSA-N 2 0 207.268 0.309 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000903916170 584826813 /nfs/dbraw/zinc/82/68/13/584826813.db2.gz FRPRTDGTWOFYCR-IVZWLZJFSA-N 2 0 233.306 0.653 20 0 BCADRP C[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)C[C@H]1[NH3+] ZINC000903916267 584826849 /nfs/dbraw/zinc/82/68/49/584826849.db2.gz GEWVFWALWHXTEX-GJMOJQLCSA-N 2 0 207.268 0.248 20 0 BCADRP C([NH2+]C1CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918234 584827124 /nfs/dbraw/zinc/82/71/24/584827124.db2.gz VMSHZIIQGGYHRE-VGPLMAKISA-N 3 0 223.364 0.859 20 0 BCADRP C[C@H]1C[C@@H](C[NH2+][C@]23C[C@H]2COC3)CC[NH2+]1 ZINC000903951369 584830830 /nfs/dbraw/zinc/83/08/30/584830830.db2.gz XOXFSFZINIXQLE-BJDJZHNGSA-N 2 0 210.321 0.753 20 0 BCADRP Nc1cc[nH+]c(CN[C@@H]2CCC[NH2+]C2)c1 ZINC000903953663 584831521 /nfs/dbraw/zinc/83/15/21/584831521.db2.gz IOOKIWRPORPEHX-SNVBAGLBSA-N 2 0 206.293 0.505 20 0 BCADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956232 584832317 /nfs/dbraw/zinc/83/23/17/584832317.db2.gz JMXTXGMMPBXGIM-AEJSXWLSSA-N 2 0 234.290 0.998 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCNC1 ZINC000903978691 584833166 /nfs/dbraw/zinc/83/31/66/584833166.db2.gz KQEXLBXKAIIHKC-UTUOFQBUSA-N 2 0 211.353 0.574 20 0 BCADRP CC(C)([NH3+])CN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903983249 584833205 /nfs/dbraw/zinc/83/32/05/584833205.db2.gz DXHQJWIMSUQMEL-HTQZYQBOSA-N 2 0 239.285 0.935 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]CC12CC(C1)C[NH2+]2 ZINC000903979242 584833552 /nfs/dbraw/zinc/83/35/52/584833552.db2.gz ZEVSEQLXTHRCTN-CQLXCSJHSA-N 3 0 223.364 0.574 20 0 BCADRP CC(C)C[C@@H]([NH3+])CNC[C@@H]1C[NH2+]C[C@H]1C ZINC000903968154 584834884 /nfs/dbraw/zinc/83/48/84/584834884.db2.gz RDIIMAZPPANFJO-GRYCIOLGSA-N 2 0 213.369 0.805 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CNC[C@@]1(C)CC[NH2+]C1 ZINC000903967518 584834928 /nfs/dbraw/zinc/83/49/28/584834928.db2.gz KGWWZFMTONKQJW-WOPDTQHZSA-N 2 0 211.353 0.431 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CNCC12CC(C1)C[NH2+]2 ZINC000903968423 584835033 /nfs/dbraw/zinc/83/50/33/584835033.db2.gz VWZJWEIEFMLMBQ-ZYGVAYEYSA-N 2 0 209.337 0.184 20 0 BCADRP C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967994 584835102 /nfs/dbraw/zinc/83/51/02/584835102.db2.gz OKDGXFHZKCFFKI-NDBYEHHHSA-N 2 0 225.380 0.962 20 0 BCADRP CC1(C)CN(C[C@]2(C)CC[NH2+]C2)C[C@H]1[NH3+] ZINC000903986575 584835698 /nfs/dbraw/zinc/83/56/98/584835698.db2.gz MKCBGNBFIJZODV-ZYHUDNBSSA-N 2 0 211.353 0.655 20 0 BCADRP CC[N@H+](CCC(N)=O)C[C@]1(C)CC[NH2+]C1 ZINC000903987575 584836062 /nfs/dbraw/zinc/83/60/62/584836062.db2.gz HHXUOYTWHFAGTG-LLVKDONJSA-N 2 0 213.325 0.183 20 0 BCADRP C[NH2+][C@H]1CCN(Cc2ccc(C[NH3+])cc2)C1 ZINC000904299401 584860119 /nfs/dbraw/zinc/86/01/19/584860119.db2.gz CHGMHGFNWLNLNL-ZDUSSCGKSA-N 2 0 219.332 0.939 20 0 BCADRP CN(C[C@@]1(C)CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000904299560 584860583 /nfs/dbraw/zinc/86/05/83/584860583.db2.gz HYOGJUIIQONJFK-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299897 584860916 /nfs/dbraw/zinc/86/09/16/584860916.db2.gz QWYALPGGHDZLFD-KKOKHZNYSA-N 2 0 211.353 0.783 20 0 BCADRP [NH3+]Cc1ccc(CN2CC[C@H]([NH3+])C2)cc1 ZINC000904300184 584861099 /nfs/dbraw/zinc/86/10/99/584861099.db2.gz YFWMJXAREKNWDA-LBPRGKRZSA-N 2 0 205.305 0.678 20 0 BCADRP CCOCCN1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904306897 584862072 /nfs/dbraw/zinc/86/20/72/584862072.db2.gz GSYQIUMHTLWWMO-BETUJISGSA-N 2 0 241.379 0.378 20 0 BCADRP CC(C)C[N@@H+](CC(N)=O)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309206 584862421 /nfs/dbraw/zinc/86/24/21/584862421.db2.gz CSTICWSSMXNHOK-AOOOYVTPSA-N 2 0 213.325 0.167 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2C2OCCO2)C1 ZINC000904316001 584862841 /nfs/dbraw/zinc/86/28/41/584862841.db2.gz IFLQHNSDFDIWJC-TUAOUCFPSA-N 2 0 240.347 0.951 20 0 BCADRP CCOC(=O)C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C(C)C ZINC000904313157 584863342 /nfs/dbraw/zinc/86/33/42/584863342.db2.gz ROBLEHOZGYDNKX-PHIMTYICSA-N 2 0 228.336 0.997 20 0 BCADRP CCC[N@@H+](CC(=O)NC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313529 584863582 /nfs/dbraw/zinc/86/35/82/584863582.db2.gz WGCRJYNEHWJQLF-AOOOYVTPSA-N 2 0 213.325 0.182 20 0 BCADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCCNC1=O ZINC000904313223 584863590 /nfs/dbraw/zinc/86/35/90/584863590.db2.gz CWDDGLWDILWQMV-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP C[N@@H+](Cc1nnc2ccccn21)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904317871 584864228 /nfs/dbraw/zinc/86/42/28/584864228.db2.gz ZMXDUWRLDGAETK-PHIMTYICSA-N 2 0 245.330 0.898 20 0 BCADRP COC(=O)C[C@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904323071 584864500 /nfs/dbraw/zinc/86/45/00/584864500.db2.gz LOFURWOCYHRALH-OUAUKWLOSA-N 2 0 226.320 0.751 20 0 BCADRP C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321884 584864614 /nfs/dbraw/zinc/86/46/14/584864614.db2.gz JLXMDOIDTUZECE-NNYUYHANSA-N 2 0 212.337 0.959 20 0 BCADRP CC[C@H](CO)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904324761 584865568 /nfs/dbraw/zinc/86/55/68/584865568.db2.gz KWUSQLRICJMNEM-FRRDWIJNSA-N 2 0 241.379 0.112 20 0 BCADRP CCC[C@](C)(CO)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904328984 584866072 /nfs/dbraw/zinc/86/60/72/584866072.db2.gz JXDZWXVBMGUISB-OUAUKWLOSA-N 2 0 200.326 0.864 20 0 BCADRP CNC(=O)[C@@]1(C)CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904342538 584867130 /nfs/dbraw/zinc/86/71/30/584867130.db2.gz KANKVGVMFGNGRB-UMNHJUIQSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)CN1C ZINC000904342071 584867307 /nfs/dbraw/zinc/86/73/07/584867307.db2.gz WOJCJDMHXRTGFZ-FIQHERPVSA-N 2 0 211.353 0.748 20 0 BCADRP C[C@@]1(C[N@@H+]2CC[C@H](n3cncn3)C2)CCC[NH2+]C1 ZINC000904343758 584867743 /nfs/dbraw/zinc/86/77/43/584867743.db2.gz WEHUBNAJENOFKE-QWHCGFSZSA-N 2 0 249.362 0.915 20 0 BCADRP C[N@H+](C[C@@]1(C)CCC[NH2+]C1)C1CC(O)C1 ZINC000904345805 584868446 /nfs/dbraw/zinc/86/84/46/584868446.db2.gz NLXHHSDUTNVWDB-MCIGGMRASA-N 2 0 212.337 0.831 20 0 BCADRP [NH3+][C@H]1C[C@@H](CN2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000904349834 584869077 /nfs/dbraw/zinc/86/90/77/584869077.db2.gz CYKZZTDHJMDAHX-NNYUYHANSA-N 2 0 209.337 0.408 20 0 BCADRP CN(C[C@]1(C)CCC[NH2+]C1)C1CC([NH3+])C1 ZINC000904349541 584869127 /nfs/dbraw/zinc/86/91/27/584869127.db2.gz AGVGRAJNITZJFK-HTAVTVPLSA-N 2 0 211.353 0.798 20 0 BCADRP COCC[NH2+]CCNC[C@@]1(C)CCC[NH2+]C1 ZINC000904353575 584869716 /nfs/dbraw/zinc/86/97/16/584869716.db2.gz NNRBJIQNVIVPLP-LBPRGKRZSA-N 2 0 229.368 0.202 20 0 BCADRP C[C@@H](C[NH3+])CNCc1nccn1C1CC1 ZINC000904353239 584869832 /nfs/dbraw/zinc/86/98/32/584869832.db2.gz JQASPYOHBAPZSW-VIFPVBQESA-N 2 0 208.309 0.902 20 0 BCADRP C[C@@H]([NH2+]C1CC(C[NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000904353183 584870050 /nfs/dbraw/zinc/87/00/50/584870050.db2.gz HVDVRYINFLCNSV-ZYGVAYEYSA-N 2 0 211.353 0.701 20 0 BCADRP C[C@@]1(CNC[C@@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000904353768 584870135 /nfs/dbraw/zinc/87/01/35/584870135.db2.gz QVYIEPBSVXGZDD-NWDGAFQWSA-N 2 0 211.353 0.718 20 0 BCADRP [NH3+]CC1CC([NH2+]CCC[C@H]2CCC[NH2+]2)C1 ZINC000904354372 584870533 /nfs/dbraw/zinc/87/05/33/584870533.db2.gz GVOANPAWVVQYBN-MOENNCHZSA-N 3 0 211.353 0.846 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000904354825 584870603 /nfs/dbraw/zinc/87/06/03/584870603.db2.gz HDSLJBBJIPTOCX-UPJWGTAASA-N 2 0 225.380 0.964 20 0 BCADRP C[C@@]1(CN[C@@H](CC[NH3+])C(F)F)CCC[NH2+]C1 ZINC000904355115 584870659 /nfs/dbraw/zinc/87/06/59/584870659.db2.gz NVAALVUKBUTKTP-GXSJLCMTSA-N 2 0 235.322 0.948 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC[NH3+])CC2)CC[NH2+]1 ZINC000904355401 584870979 /nfs/dbraw/zinc/87/09/79/584870979.db2.gz NBQNICMXBGLZIK-YPMHNXCESA-N 3 0 240.395 0.140 20 0 BCADRP COCC1(C[NH2+]C2CC(C[NH3+])C2)CC[NH2+]CC1 ZINC000904356330 584871344 /nfs/dbraw/zinc/87/13/44/584871344.db2.gz VZTYFTLIJYBXFQ-UHFFFAOYSA-N 3 0 241.379 0.330 20 0 BCADRP C[C@H](C[NH3+])NCc1ccc(N2CC[NH2+]CC2)o1 ZINC000904355764 584871460 /nfs/dbraw/zinc/87/14/60/584871460.db2.gz RVTLOPBLDUTZGS-SNVBAGLBSA-N 2 0 238.335 0.126 20 0 BCADRP [NH3+]Cc1ccc(CNC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000904358007 584872395 /nfs/dbraw/zinc/87/23/95/584872395.db2.gz GECRXBFHGLZRDI-AWEZNQCLSA-N 2 0 249.358 0.613 20 0 BCADRP [NH3+]CC1CC([NH2+][C@@H](CO)Cc2ccccc2)C1 ZINC000904369399 584873061 /nfs/dbraw/zinc/87/30/61/584873061.db2.gz VJHMUMIFUKOAOP-JXQTWKCFSA-N 2 0 234.343 0.917 20 0 BCADRP [NH3+]CC1CC([NH2+][C@H]2C[C@@H]3CCCCN3C2=O)C1 ZINC000904370988 584873079 /nfs/dbraw/zinc/87/30/79/584873079.db2.gz GYMFUSSZHHNIRA-QQFIATSDSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+]CC1CC([NH2+][C@@H]2C[C@H]3CCCCN3C2=O)C1 ZINC000904370985 584873313 /nfs/dbraw/zinc/87/33/13/584873313.db2.gz GYMFUSSZHHNIRA-KIDURHIOSA-N 2 0 237.347 0.467 20 0 BCADRP Nc1ccc(C[NH2+]CCCCCC[NH3+])nn1 ZINC000904374107 584873797 /nfs/dbraw/zinc/87/37/97/584873797.db2.gz NANCFBKCUULEGZ-UHFFFAOYSA-N 2 0 223.324 0.668 20 0 BCADRP C[C@H]1[C@@H](CO)CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904372745 584873829 /nfs/dbraw/zinc/87/38/29/584873829.db2.gz IDZQAZBULKWYLS-NNYUYHANSA-N 2 0 212.337 0.817 20 0 BCADRP C[C@]1(C[NH2+]C2CCN(CC[NH3+])CC2)CCCO1 ZINC000904365883 584874807 /nfs/dbraw/zinc/87/48/07/584874807.db2.gz AYUUBRDZBSHQBB-CYBMUJFWSA-N 2 0 241.379 0.568 20 0 BCADRP [NH3+]CCN1CCC([NH2+]CC2([NH3+])CCCC2)CC1 ZINC000904376800 584876089 /nfs/dbraw/zinc/87/60/89/584876089.db2.gz FTXJGFKJMVESPW-UHFFFAOYSA-N 3 0 240.395 0.271 20 0 BCADRP [NH3+]CCN1CCC([NH2+][C@@H]2C=CCC2)CC1 ZINC000904376779 584876116 /nfs/dbraw/zinc/87/61/16/584876116.db2.gz FJFICFIXUOHFJN-LLVKDONJSA-N 2 0 209.337 0.718 20 0 BCADRP [NH3+]CCN1CCC([NH2+][C@H]2C=CCC2)CC1 ZINC000904376780 584876136 /nfs/dbraw/zinc/87/61/36/584876136.db2.gz FJFICFIXUOHFJN-NSHDSACASA-N 2 0 209.337 0.718 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H](Cn3ccnn3)C2)C1 ZINC000904377302 584876415 /nfs/dbraw/zinc/87/64/15/584876415.db2.gz MRSUVDRYQQVMAW-SDDRHHMPSA-N 2 0 235.335 0.337 20 0 BCADRP COC(=O)N(C)CC[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904379189 584876497 /nfs/dbraw/zinc/87/64/97/584876497.db2.gz QSDAUUOKPXOPGS-AOOOYVTPSA-N 2 0 229.324 0.354 20 0 BCADRP CCn1nccc1C[NH2+]C1CC(C[NH3+])C1 ZINC000904378843 584876622 /nfs/dbraw/zinc/87/66/22/584876622.db2.gz MBUVYUCHABMERO-UHFFFAOYSA-N 2 0 208.309 0.730 20 0 BCADRP Cc1ncccc1C[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904380122 584876730 /nfs/dbraw/zinc/87/67/30/584876730.db2.gz IMFYBLXRJFTNCQ-UHFFFAOYSA-N 2 0 248.374 0.903 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000904380133 584876768 /nfs/dbraw/zinc/87/67/68/584876768.db2.gz IQRQAANOVLTQTI-WYUUTHIRSA-N 3 0 209.337 0.537 20 0 BCADRP [NH3+]CC1CC([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000904381425 584876800 /nfs/dbraw/zinc/87/68/00/584876800.db2.gz OOIYJCSGYZXEMI-RTYFJBAXSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+]CC1CC([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000904380672 584876850 /nfs/dbraw/zinc/87/68/50/584876850.db2.gz OFDJXQRAILZUOF-ILDUYXDCSA-N 3 0 209.337 0.598 20 0 BCADRP C[C@@]1(CNCC2([NH3+])CCOCC2)CCC[NH2+]C1 ZINC000904380736 584876909 /nfs/dbraw/zinc/87/69/09/584876909.db2.gz OTLFMEZLRDIVQO-GFCCVEGCSA-N 2 0 241.379 0.474 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC[NH3+])CC2)[C@H](C)O1 ZINC000904385229 584877832 /nfs/dbraw/zinc/87/78/32/584877832.db2.gz VNRSYTUEGWXCJP-NTZNESFSSA-N 2 0 241.379 0.565 20 0 BCADRP C[C@@]1(C[N@@H+]2CC[C@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000904405955 584878199 /nfs/dbraw/zinc/87/81/99/584878199.db2.gz BIGIBZPWFUIRNF-NWDGAFQWSA-N 3 0 211.353 0.657 20 0 BCADRP Nc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)nn1 ZINC000904406250 584878411 /nfs/dbraw/zinc/87/84/11/584878411.db2.gz CZUTYGITZNQJOQ-VIFPVBQESA-N 2 0 221.308 0.230 20 0 BCADRP [NH3+]CC[C@H]1CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000904407103 584878573 /nfs/dbraw/zinc/87/85/73/584878573.db2.gz NINXIFABNRYCJC-UNXYVOJBSA-N 2 0 209.337 0.409 20 0 BCADRP Nc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC000904406975 584878742 /nfs/dbraw/zinc/87/87/42/584878742.db2.gz ZHRZLJDLFSGSKF-JTQLQIEISA-N 2 0 220.320 0.835 20 0 BCADRP [NH3+]CC[C@H]1CCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000904407601 584879048 /nfs/dbraw/zinc/87/90/48/584879048.db2.gz XITKNMYMCXFWBM-DTWKUNHWSA-N 2 0 221.295 0.640 20 0 BCADRP c1csc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000904397877 584880360 /nfs/dbraw/zinc/88/03/60/584880360.db2.gz JKCYMWHDXJPMKZ-UHFFFAOYSA-N 2 0 225.361 0.743 20 0 BCADRP c1cc2c(cc1C[NH2+][C@H]1CNOC1)C[NH2+]CC2 ZINC000904423812 584880396 /nfs/dbraw/zinc/88/03/96/584880396.db2.gz IHRAIXKXPIGJAV-ZDUSSCGKSA-N 2 0 233.315 0.325 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420499 584881823 /nfs/dbraw/zinc/88/18/23/584881823.db2.gz QTIDBFSRZVGTPU-IVZWLZJFSA-N 2 0 233.306 0.510 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1C[NH3+] ZINC000904419417 584881983 /nfs/dbraw/zinc/88/19/83/584881983.db2.gz VDRZOBBTUJSSRH-YVECIDJPSA-N 3 0 225.380 0.901 20 0 BCADRP CC(C)[C@H](C[NH3+])C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420739 584882263 /nfs/dbraw/zinc/88/22/63/584882263.db2.gz VNYLEMHRWNZWMK-YNEHKIRRSA-N 3 0 225.380 0.759 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876524193 584885508 /nfs/dbraw/zinc/88/55/08/584885508.db2.gz LTEFHNYOKRGSCZ-SFYZADRCSA-N 2 0 213.325 0.213 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876539249 584886035 /nfs/dbraw/zinc/88/60/35/584886035.db2.gz ACSFBWSUEJVDDZ-ZJUUUORDSA-N 2 0 241.379 0.994 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000876727532 584886844 /nfs/dbraw/zinc/88/68/44/584886844.db2.gz MVAYFELHHYVWDL-MXWKQRLJSA-N 2 0 239.363 0.428 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876749382 584886872 /nfs/dbraw/zinc/88/68/72/584886872.db2.gz NIHIEIVBRVSWCS-QWRGUYRKSA-N 2 0 245.342 0.390 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876830331 584887198 /nfs/dbraw/zinc/88/71/98/584887198.db2.gz GQRWKQOWRNRELD-RCWTZXSCSA-N 2 0 239.363 0.474 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H]1C ZINC000876831775 584887454 /nfs/dbraw/zinc/88/74/54/584887454.db2.gz KATLHFNFMJPNSF-DDHJBXDOSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876934475 584887948 /nfs/dbraw/zinc/88/79/48/584887948.db2.gz HZVCSBIRCLUFHQ-UZWSLXQKSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876934476 584888080 /nfs/dbraw/zinc/88/80/80/584888080.db2.gz HZVCSBIRCLUFHQ-WGBDABJCSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC000877050095 584889023 /nfs/dbraw/zinc/88/90/23/584889023.db2.gz FKJZUDQFTSUKOJ-FIQHERPVSA-N 2 0 239.363 0.761 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000877081424 584889868 /nfs/dbraw/zinc/88/98/68/584889868.db2.gz AWRGAOXEDCFLNT-DCAQKATOSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877106044 584890221 /nfs/dbraw/zinc/89/02/21/584890221.db2.gz OSGUMBKDFMXROQ-ZJUUUORDSA-N 2 0 215.341 0.556 20 0 BCADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@]1(F)CC[NH2+]C1 ZINC000827683450 584900239 /nfs/dbraw/zinc/90/02/39/584900239.db2.gz HTXXEGAAMNPLQJ-CABZTGNLSA-N 2 0 241.310 0.041 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884027380 584901909 /nfs/dbraw/zinc/90/19/09/584901909.db2.gz AAQIVUFNCJAZHJ-QWRGUYRKSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831971440 584911321 /nfs/dbraw/zinc/91/13/21/584911321.db2.gz XLUXXLKJWQKWJW-WDEREUQCSA-N 2 0 239.363 0.727 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH3+] ZINC000834608827 584914077 /nfs/dbraw/zinc/91/40/77/584914077.db2.gz VHJMFCSNVGJTRJ-GXSJLCMTSA-N 2 0 221.304 0.458 20 0 BCADRP COCC[C@@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000884034741 584939495 /nfs/dbraw/zinc/93/94/95/584939495.db2.gz KSSMFPDOOFJNRY-ZYHUDNBSSA-N 2 0 245.367 0.230 20 0 BCADRP CN(C(=O)[C@H]1C[NH2+]CC1(C)C)C1CC([NH3+])C1 ZINC000884298504 584948973 /nfs/dbraw/zinc/94/89/73/584948973.db2.gz UERDIDMLUJMHPA-UDNWOFFPSA-N 2 0 225.336 0.180 20 0 BCADRP C[NH+]1CCC(C(=O)NCC[NH+]2CCCC2)CC1 ZINC000746102847 585163179 /nfs/dbraw/zinc/16/31/79/585163179.db2.gz MDQGZOYMLHOFSK-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP C[NH+](C)CCNC(=S)NC1CC[NH+](C)CC1 ZINC000747724598 585182665 /nfs/dbraw/zinc/18/26/65/585182665.db2.gz UFQLQAKCNGELHY-UHFFFAOYSA-N 2 0 244.408 0.106 20 0 BCADRP CN(C)c1ccnc(N(C)Cc2ncc[nH]2)n1 ZINC000757921209 585347004 /nfs/dbraw/zinc/34/70/04/585347004.db2.gz SOLACKGHCOONKC-UHFFFAOYSA-N 2 0 232.291 0.902 20 0 BCADRP C[NH+](C)C1(C(=O)NCC[N@@H+](C)C2CC2)CCC1 ZINC000763031298 585441945 /nfs/dbraw/zinc/44/19/45/585441945.db2.gz TYLQOAOCSLMCKF-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC000763045682 585442534 /nfs/dbraw/zinc/44/25/34/585442534.db2.gz WMHLPQTVGSNMQY-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP OCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000771803375 585600316 /nfs/dbraw/zinc/60/03/16/585600316.db2.gz ZRFUQVUGZZMZRD-CHWSQXEVSA-N 2 0 242.363 0.194 20 0 BCADRP CC[NH+](CC)CC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000773195338 585633485 /nfs/dbraw/zinc/63/34/85/585633485.db2.gz XAYGVXRGHBSCLD-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@@H]1CN(CC[NH+]2CCCC2)CC[N@@H+]1CCO ZINC000778358336 585732376 /nfs/dbraw/zinc/73/23/76/585732376.db2.gz XVUMRVBIPLXTSA-CYBMUJFWSA-N 2 0 241.379 0.081 20 0 BCADRP C[C@H](CCO)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000779387912 585753105 /nfs/dbraw/zinc/75/31/05/585753105.db2.gz NYIITFOGJCZGME-CYBMUJFWSA-N 2 0 243.395 0.375 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782606685 585821559 /nfs/dbraw/zinc/82/15/59/585821559.db2.gz HXFIMJVLPZHVAL-YNEHKIRRSA-N 2 0 224.348 0.785 20 0 BCADRP O[C@@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000795096413 586068207 /nfs/dbraw/zinc/06/82/07/586068207.db2.gz WCZVEERXEOSPMK-AWEZNQCLSA-N 2 0 247.342 0.975 20 0 BCADRP CN(CCC[N@H+](C)CCF)CC[NH+](C)C ZINC000808781451 586489651 /nfs/dbraw/zinc/48/96/51/586489651.db2.gz GTPJMEYYOVTIKD-UHFFFAOYSA-N 2 0 219.348 0.771 20 0 BCADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH+](C)C ZINC000816832837 586766612 /nfs/dbraw/zinc/76/66/12/586766612.db2.gz OKYCWAFAKCVJPH-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H](NCC[N@@H+]1CCC[C@@H]1C)C1C[NH2+]C1 ZINC000817912832 586831451 /nfs/dbraw/zinc/83/14/51/586831451.db2.gz JMCYMUBCGCFESI-WDEREUQCSA-N 2 0 211.353 0.668 20 0 BCADRP COC(=O)N1CCC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000817903167 586835997 /nfs/dbraw/zinc/83/59/97/586835997.db2.gz JAQBJOKPDBHZAN-VWYCJHECSA-N 2 0 243.351 0.933 20 0 BCADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000817906361 586837138 /nfs/dbraw/zinc/83/71/38/586837138.db2.gz YQEXRAIZUIPZJI-GARJFASQSA-N 2 0 200.326 0.863 20 0 BCADRP CCCCC[C@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000817946276 586847125 /nfs/dbraw/zinc/84/71/25/586847125.db2.gz VDIJZXBURCOVAN-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP CN(CCC[NH3+])C(=O)C1CC[NH+](C2CC2)CC1 ZINC000818523123 586897378 /nfs/dbraw/zinc/89/73/78/586897378.db2.gz YYTUGDYWWNOAGI-UHFFFAOYSA-N 2 0 239.363 0.668 20 0 BCADRP CN(C(=O)C1([NH3+])CC1)C1CCC([NH3+])CC1 ZINC000818528992 586897682 /nfs/dbraw/zinc/89/76/82/586897682.db2.gz OZKFQRBHABEZDP-UHFFFAOYSA-N 2 0 211.309 0.206 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000818529360 586897829 /nfs/dbraw/zinc/89/78/29/586897829.db2.gz WBKKRWCGNVQTTI-IZUQBHJASA-N 2 0 227.352 0.698 20 0 BCADRP [NH3+]CCc1ccc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000818534907 586898300 /nfs/dbraw/zinc/89/83/00/586898300.db2.gz PHXVBFZSQHBSJD-NEPJUHHUSA-N 2 0 233.315 0.151 20 0 BCADRP CC[NH2+]CC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000818565449 586902037 /nfs/dbraw/zinc/90/20/37/586902037.db2.gz YEKZGKSOAJLBHH-JTQLQIEISA-N 2 0 248.330 0.446 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000818592368 586903766 /nfs/dbraw/zinc/90/37/66/586903766.db2.gz SMTSJTACQNORNB-GFCCVEGCSA-N 2 0 225.336 0.198 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[NH+](C)C ZINC000820621857 587059706 /nfs/dbraw/zinc/05/97/06/587059706.db2.gz RODHCUHCMHPTLQ-UTUOFQBUSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ncc[nH]1 ZINC000863546678 589297609 /nfs/dbraw/zinc/29/76/09/589297609.db2.gz MTBCFPMPTGHPGY-VIFPVBQESA-N 2 0 212.297 0.426 20 0 BCADRP C[NH+](C)CC1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000821355596 587111150 /nfs/dbraw/zinc/11/11/50/587111150.db2.gz VWMSPJZAQMTJEG-GFCCVEGCSA-N 2 0 240.347 0.966 20 0 BCADRP C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000822507740 587172986 /nfs/dbraw/zinc/17/29/86/587172986.db2.gz ZAIMJMPJGLMFDU-TXEJJXNPSA-N 2 0 237.347 0.102 20 0 BCADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000823381672 587218894 /nfs/dbraw/zinc/21/88/94/587218894.db2.gz ZEMOSGZTALGVPK-PJXYFTJBSA-N 2 0 237.347 0.101 20 0 BCADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH+](C)C ZINC000824431745 587269537 /nfs/dbraw/zinc/26/95/37/587269537.db2.gz JCGXMJVGIBFMQW-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](C)C1 ZINC000824400767 587269539 /nfs/dbraw/zinc/26/95/39/587269539.db2.gz DNISQURUTDIOFB-LBPRGKRZSA-N 2 0 239.363 0.635 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)[NH+](C)C ZINC000827219976 587373303 /nfs/dbraw/zinc/37/33/03/587373303.db2.gz PYUZKCOZYUDOLQ-UTUOFQBUSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)[NH+](C)C ZINC000827233481 587373496 /nfs/dbraw/zinc/37/34/96/587373496.db2.gz PYUZKCOZYUDOLQ-SRVKXCTJSA-N 2 0 239.363 0.489 20 0 BCADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1COCCO1 ZINC000827798158 587402943 /nfs/dbraw/zinc/40/29/43/587402943.db2.gz MDCMEJVZMUFION-ZDUSSCGKSA-N 2 0 242.363 0.675 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000828423440 587441595 /nfs/dbraw/zinc/44/15/95/587441595.db2.gz ZNZUUJUPGYRAEI-WDEREUQCSA-N 2 0 243.270 0.553 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)Cc2ncc[nH]2)C[N@@H+]1C1CC1 ZINC000829864003 587525881 /nfs/dbraw/zinc/52/58/81/587525881.db2.gz UZQGRJGWASYZRT-ZJUUUORDSA-N 2 0 248.330 0.694 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000830177443 587540310 /nfs/dbraw/zinc/54/03/10/587540310.db2.gz LHBUDXNGAOKNSI-JTQLQIEISA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@]1(NC(=O)NCCCCCC[NH3+])CC[NH2+]C1 ZINC000831119611 587586464 /nfs/dbraw/zinc/58/64/64/587586464.db2.gz NQONHQMDZDUXAU-GFCCVEGCSA-N 2 0 242.367 0.557 20 0 BCADRP [NH3+]CCCCCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000831178629 587589661 /nfs/dbraw/zinc/58/96/61/587589661.db2.gz VDLBCYQOYAEIOY-LLVKDONJSA-N 2 0 242.367 0.557 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)NCCCCCC[NH3+] ZINC000831184538 587589983 /nfs/dbraw/zinc/58/99/83/587589983.db2.gz QVJRDNWXBDYQKW-SNVBAGLBSA-N 2 0 230.356 0.542 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)NCCCCCC[NH3+] ZINC000831184940 587590586 /nfs/dbraw/zinc/59/05/86/587590586.db2.gz ZIQJCSZKQKPXHM-SNVBAGLBSA-N 2 0 230.356 0.400 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)NCCCCCC[NH3+] ZINC000831184939 587590605 /nfs/dbraw/zinc/59/06/05/587590605.db2.gz ZIQJCSZKQKPXHM-JTQLQIEISA-N 2 0 230.356 0.400 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000831190880 587590829 /nfs/dbraw/zinc/59/08/29/587590829.db2.gz BEVKSFMRBCCEGC-VIFPVBQESA-N 2 0 236.319 0.292 20 0 BCADRP [NH3+]CCCCCCNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000831291108 587595925 /nfs/dbraw/zinc/59/59/25/587595925.db2.gz JHPBPTSACKINQJ-NSHDSACASA-N 2 0 242.367 0.496 20 0 BCADRP [NH3+]CCCCCCNC(=O)N1CCC([NH3+])CC1 ZINC000831292220 587595964 /nfs/dbraw/zinc/59/59/64/587595964.db2.gz VBIBCJJFTCLETE-UHFFFAOYSA-N 2 0 242.367 0.638 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NCCCCCC[NH3+] ZINC000831290487 587595983 /nfs/dbraw/zinc/59/59/83/587595983.db2.gz BFGOKRXOLWISJN-JTQLQIEISA-N 2 0 230.356 0.542 20 0 BCADRP [NH3+]CCCCCCNC(=O)N1CCC[NH2+]CC1 ZINC000831290721 587596143 /nfs/dbraw/zinc/59/61/43/587596143.db2.gz FKHFUVYCPKCREN-UHFFFAOYSA-N 2 0 242.367 0.510 20 0 BCADRP [NH3+][C@H](CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CC1 ZINC000831700876 587627974 /nfs/dbraw/zinc/62/79/74/587627974.db2.gz PKHJXXSSBSSKPW-UTUOFQBUSA-N 2 0 237.347 0.324 20 0 BCADRP CCO[C@@H](CNC(=O)[C@@H](C)[NH+](C)C)C[NH+](C)C ZINC000831703434 587628499 /nfs/dbraw/zinc/62/84/99/587628499.db2.gz UDKDCMFCLLTYIL-MNOVXSKESA-N 2 0 245.367 0.019 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)C1CC1 ZINC000831860501 587634650 /nfs/dbraw/zinc/63/46/50/587634650.db2.gz VAOUFIKLVUJUOP-ZYHUDNBSSA-N 2 0 243.326 0.144 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831970656 587639623 /nfs/dbraw/zinc/63/96/23/587639623.db2.gz JWUNCSYGRLJUCV-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831970499 587640022 /nfs/dbraw/zinc/64/00/22/587640022.db2.gz HKTOYUYZSLSCDS-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000831970283 587640292 /nfs/dbraw/zinc/64/02/92/587640292.db2.gz BPLTYITZRBQEEI-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000831970412 587640535 /nfs/dbraw/zinc/64/05/35/587640535.db2.gz GKVCSWDILXEXLW-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)CC1(C[NH3+])CC1 ZINC000831970701 587640635 /nfs/dbraw/zinc/64/06/35/587640635.db2.gz KPMPKVYGEYZPLF-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)CCC[NH3+] ZINC000831970599 587640952 /nfs/dbraw/zinc/64/09/52/587640952.db2.gz JHQJIVLZYMIHQF-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831970422 587640967 /nfs/dbraw/zinc/64/09/67/587640967.db2.gz HBHGNFNBJYGIBF-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000832083506 587644874 /nfs/dbraw/zinc/64/48/74/587644874.db2.gz ZZPDRBRRASIWDW-GFCCVEGCSA-N 2 0 243.326 0.241 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000832089392 587644952 /nfs/dbraw/zinc/64/49/52/587644952.db2.gz YKHCLBMXHJYXKA-GFCCVEGCSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+]CC1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000832316580 587654149 /nfs/dbraw/zinc/65/41/49/587654149.db2.gz SWGRWYHXHTUUKE-LLVKDONJSA-N 2 0 225.336 0.311 20 0 BCADRP C[C@H](NC(=O)[C@@]1(F)CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000832498180 587663765 /nfs/dbraw/zinc/66/37/65/587663765.db2.gz WSTDJXVXKJDDAP-JBLDHEPKSA-N 2 0 243.326 0.192 20 0 BCADRP [NH3+]Cc1cccc(C(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000832630425 587670826 /nfs/dbraw/zinc/67/08/26/587670826.db2.gz JLETUDXWVRQZPO-LLVKDONJSA-N 2 0 247.342 0.875 20 0 BCADRP [NH3+][C@@H](CC(=O)NCC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000832630649 587671228 /nfs/dbraw/zinc/67/12/28/587671228.db2.gz UBIFJDSKXRHYNH-ONGXEEELSA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)([NH3+])CNC(=O)c1cccc(C[NH3+])c1 ZINC000832801333 587691026 /nfs/dbraw/zinc/69/10/26/587691026.db2.gz ZGQABYGJXZEIDQ-UHFFFAOYSA-N 2 0 221.304 0.612 20 0 BCADRP CO[C@H](C[NH3+])CC(=O)N(C)C1CCC([NH3+])CC1 ZINC000832829426 587692573 /nfs/dbraw/zinc/69/25/73/587692573.db2.gz XUMUHHJJHYVWFA-ILDUYXDCSA-N 2 0 243.351 0.079 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000832828434 587692600 /nfs/dbraw/zinc/69/26/00/587692600.db2.gz APRQPCCISDBRCE-GHMZBOCLSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C)C1CCC([NH3+])CC1 ZINC000832828549 587692660 /nfs/dbraw/zinc/69/26/60/587692660.db2.gz FNYFCJFWDONPML-WHXUTIOJSA-N 2 0 227.352 0.842 20 0 BCADRP C[C@H](CC(=O)N[C@@H](C)C[NH3+])[C@H]1CCC[NH2+]C1 ZINC000834608630 587760545 /nfs/dbraw/zinc/76/05/45/587760545.db2.gz HZCOIIQNDBMWFX-VWYCJHECSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000834608627 587760576 /nfs/dbraw/zinc/76/05/76/587760576.db2.gz HZCOIIQNDBMWFX-DCAQKATOSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH3+])[C@H](C)[NH3+] ZINC000834618791 587761033 /nfs/dbraw/zinc/76/10/33/587761033.db2.gz NGNUXYKOWTUHHT-XHNCKOQMSA-N 2 0 201.314 0.069 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000834641659 587762427 /nfs/dbraw/zinc/76/24/27/587762427.db2.gz LRDRHYFSAKEMNJ-WCFLWFBJSA-N 2 0 247.342 0.801 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H](C)[NH2+]C2CC2)CC[C@H]1[NH3+] ZINC000834646935 587762469 /nfs/dbraw/zinc/76/24/69/587762469.db2.gz KMNBLVFSSJOJBS-CKYFFXLPSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000834642171 587762513 /nfs/dbraw/zinc/76/25/13/587762513.db2.gz PXEXUGKHAHVKCF-GXFFZTMASA-N 2 0 247.342 0.873 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000834672904 587763465 /nfs/dbraw/zinc/76/34/65/587763465.db2.gz JOUSKXOPIBUWIA-WCFLWFBJSA-N 2 0 247.342 0.943 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C[C@@H]([NH3+])C2CC2)CC[NH2+]1 ZINC000834672766 587763659 /nfs/dbraw/zinc/76/36/59/587763659.db2.gz HIHGLWYXYWLYKB-DVVUODLYSA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000834703514 587764625 /nfs/dbraw/zinc/76/46/25/587764625.db2.gz MGEPQRMSQOLGFG-CMPLNLGQSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000834786174 587766928 /nfs/dbraw/zinc/76/69/28/587766928.db2.gz LOCBDDDBPQBYEB-ONGXEEELSA-N 2 0 231.315 0.322 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000834821045 587767750 /nfs/dbraw/zinc/76/77/50/587767750.db2.gz IZDDQYOXPXKDEN-BBBLOLIVSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000834821046 587767796 /nfs/dbraw/zinc/76/77/96/587767796.db2.gz IZDDQYOXPXKDEN-UTLUCORTSA-N 2 0 213.325 0.371 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)CCCCC[NH3+] ZINC000834825557 587768001 /nfs/dbraw/zinc/76/80/01/587768001.db2.gz DHHNDOGSBJPTOK-SECBINFHSA-N 2 0 201.314 0.359 20 0 BCADRP [NH3+]CCCCCC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000834862107 587768870 /nfs/dbraw/zinc/76/88/70/587768870.db2.gz QDPNAAXYDCJPBD-LLVKDONJSA-N 2 0 243.351 0.000 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000834860943 587768908 /nfs/dbraw/zinc/76/89/08/587768908.db2.gz GFFALMFWKJPGTQ-WOPDTQHZSA-N 2 0 237.347 0.339 20 0 BCADRP CC[N@@H+]1CC[C@@H](NC(=S)NCC[NH+](C)C)C1 ZINC000840867311 587926385 /nfs/dbraw/zinc/92/63/85/587926385.db2.gz MRTFKTQXTDQNMZ-SNVBAGLBSA-N 2 0 244.408 0.106 20 0 BCADRP [NH3+]CCCNc1ccc(OCC[NH3+])cc1 ZINC000841054426 587939865 /nfs/dbraw/zinc/93/98/65/587939865.db2.gz KGBAECOQNKNYQZ-UHFFFAOYSA-N 2 0 209.293 0.785 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000841848306 587977174 /nfs/dbraw/zinc/97/71/74/587977174.db2.gz BYUNFTMATYUNST-WDEREUQCSA-N 2 0 227.352 0.603 20 0 BCADRP [NH3+][C@@H](CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C1CC1 ZINC000841848467 587977200 /nfs/dbraw/zinc/97/72/00/587977200.db2.gz NZPVAMLCVKCIQH-RYUDHWBXSA-N 2 0 237.347 0.467 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000841848587 587977333 /nfs/dbraw/zinc/97/73/33/587977333.db2.gz PSOWACDKKQRFEX-VXGBXAGGSA-N 2 0 241.379 0.946 20 0 BCADRP CCCN(C(=O)C[C@@H]([NH3+])C1CC1)[C@H]1CC[NH2+]C1 ZINC000841847697 587977529 /nfs/dbraw/zinc/97/75/29/587977529.db2.gz HOPCNKWWJWJQEY-NWDGAFQWSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@]1(CNC(=O)C[C@H]([NH3+])C2CC2)CCC[NH2+]C1 ZINC000841849563 587977832 /nfs/dbraw/zinc/97/78/32/587977832.db2.gz AXTGIDYWXBKQLN-AAEUAGOBSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH2+]CC1(C)C ZINC000841849136 587978032 /nfs/dbraw/zinc/97/80/32/587978032.db2.gz WFTLGIXVVSONIU-VIFPVBQESA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000841850652 587978224 /nfs/dbraw/zinc/97/82/24/587978224.db2.gz ASOFKDMBIAXGEC-FBIMIBRVSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000841854805 587978353 /nfs/dbraw/zinc/97/83/53/587978353.db2.gz HWDNMPNMPVKIIN-SRVKXCTJSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H](C)[NH2+]C2CC2)CC[NH2+]1 ZINC000841850667 587978385 /nfs/dbraw/zinc/97/83/85/587978385.db2.gz BKTCDNUTOWGOBB-CMPLNLGQSA-N 2 0 239.363 0.583 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000841851777 587978413 /nfs/dbraw/zinc/97/84/13/587978413.db2.gz XDCXGVYNEHVOTH-ZDUSSCGKSA-N 2 0 247.342 0.599 20 0 BCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)C[NH3+])C1 ZINC000841983147 587988208 /nfs/dbraw/zinc/98/82/08/587988208.db2.gz OARAQQSEQSAXSR-WDEREUQCSA-N 2 0 242.367 0.506 20 0 BCADRP CN(C)C(=O)C[N@H+](C)CCCCCCC[NH3+] ZINC000842471436 588028262 /nfs/dbraw/zinc/02/82/62/588028262.db2.gz BEEDWTHOBSZPKE-UHFFFAOYSA-N 2 0 229.368 0.916 20 0 BCADRP C[N@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCCCNC1=O ZINC000842471858 588028919 /nfs/dbraw/zinc/02/89/19/588028919.db2.gz DJBUUVXTCRHWPN-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP O=C(N1CCC2(CC[NH2+]2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000842512129 588032489 /nfs/dbraw/zinc/03/24/89/588032489.db2.gz KNTBWNJHSLIRSH-GFCCVEGCSA-N 2 0 241.310 0.043 20 0 BCADRP [NH3+][C@@H](Cc1nc([C@H]2CCC[NH2+]2)no1)C1CC1 ZINC000842640669 588048494 /nfs/dbraw/zinc/04/84/94/588048494.db2.gz BAJPFNUVNKSDPL-DTWKUNHWSA-N 2 0 222.292 0.774 20 0 BCADRP CN(C[C@@H]1CCC[NH2+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843046883 588076423 /nfs/dbraw/zinc/07/64/23/588076423.db2.gz HIVGEEWVNDWWBH-FXJUQPSGSA-N 2 0 223.364 0.953 20 0 BCADRP COC(=O)CC(C)(C)[NH2+]CC1CC[NH2+]CC1 ZINC000843068349 588078656 /nfs/dbraw/zinc/07/86/56/588078656.db2.gz KPNKMELSLFQQLM-UHFFFAOYSA-N 2 0 228.336 0.917 20 0 BCADRP O=C1OCC[C@]12CCC[N@@H+]2CC1CC[NH2+]CC1 ZINC000843119594 588083891 /nfs/dbraw/zinc/08/38/91/588083891.db2.gz UWSGQSKIAFNHTC-CYBMUJFWSA-N 2 0 238.331 0.768 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843327280 588100091 /nfs/dbraw/zinc/10/00/91/588100091.db2.gz FCJPSTVFDVVNRM-LBPRGKRZSA-N 2 0 235.331 0.541 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)CCCCC[NH3+] ZINC000843351757 588102343 /nfs/dbraw/zinc/10/23/43/588102343.db2.gz BOIFTYILCPKQDO-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364759 588104260 /nfs/dbraw/zinc/10/42/60/588104260.db2.gz PYKOMCBTKWKBTM-UHFFFAOYSA-N 3 0 227.352 0.037 20 0 BCADRP O=C1OCC[C@H]1[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364485 588104494 /nfs/dbraw/zinc/10/44/94/588104494.db2.gz DZWSBNJYBCDTOD-SNVBAGLBSA-N 2 0 224.304 0.377 20 0 BCADRP CN(CC(=O)Nc1ccc(O)cc1)C1CC([NH3+])C1 ZINC000843386887 588105671 /nfs/dbraw/zinc/10/56/71/588105671.db2.gz ATBFTCSLOWTQDX-UHFFFAOYSA-N 2 0 249.314 0.752 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843452738 588111652 /nfs/dbraw/zinc/11/16/52/588111652.db2.gz XIXPCWZGBOQKKD-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)C[NH3+] ZINC000843469959 588113145 /nfs/dbraw/zinc/11/31/45/588113145.db2.gz GGBXUOVEZZJORN-JTQLQIEISA-N 2 0 235.331 0.526 20 0 BCADRP [NH3+]CCCCCCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000843505714 588117162 /nfs/dbraw/zinc/11/71/62/588117162.db2.gz KIQCCRIZIMRMAP-LLVKDONJSA-N 2 0 243.351 0.000 20 0 BCADRP [NH3+]CCCCCCNC(=O)CC1([NH3+])CCC1 ZINC000843505327 588117237 /nfs/dbraw/zinc/11/72/37/588117237.db2.gz HFJLDBDRPPZRSE-UHFFFAOYSA-N 2 0 227.352 0.893 20 0 BCADRP [NH3+]CCCCCC(=O)NCCC[NH2+]C1CC1 ZINC000843514598 588118252 /nfs/dbraw/zinc/11/82/52/588118252.db2.gz ZGMALFFIGWFORN-UHFFFAOYSA-N 2 0 227.352 0.764 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000844170808 588171542 /nfs/dbraw/zinc/17/15/42/588171542.db2.gz DHHCTTZPHOKXNB-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC000844163009 588171796 /nfs/dbraw/zinc/17/17/96/588171796.db2.gz YACYPHFJPTUEDJ-LBPRGKRZSA-N 2 0 239.363 0.812 20 0 BCADRP CC[NH2+]CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000844183042 588172047 /nfs/dbraw/zinc/17/20/47/588172047.db2.gz OGWFEFDFCPVSRX-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000844178336 588172158 /nfs/dbraw/zinc/17/21/58/588172158.db2.gz PKRIHSBXQPDOGP-JQWIXIFHSA-N 2 0 243.326 0.146 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000844171892 588172227 /nfs/dbraw/zinc/17/22/27/588172227.db2.gz NZKAGLHUEIZYBR-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)CCCC[NH+]1CCCC1 ZINC000844194527 588172791 /nfs/dbraw/zinc/17/27/91/588172791.db2.gz AAYKZHDNTQILHA-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[C@H]([NH3+])CNC(=O)CCCC[NH+]1CCCC1 ZINC000844194528 588173070 /nfs/dbraw/zinc/17/30/70/588173070.db2.gz AAYKZHDNTQILHA-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)CCCC[NH+]1CCCC1 ZINC000844192760 588173088 /nfs/dbraw/zinc/17/30/88/588173088.db2.gz PVOWXTOZAIZOCH-LBPRGKRZSA-N 2 0 241.379 0.964 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH3+] ZINC000844201029 588173166 /nfs/dbraw/zinc/17/31/66/588173166.db2.gz KVFPQKNCOUCHHF-UHFFFAOYSA-N 2 0 229.368 0.962 20 0 BCADRP CN(CC(F)F)C1CC[NH+](CCC[NH3+])CC1 ZINC000844220799 588174370 /nfs/dbraw/zinc/17/43/70/588174370.db2.gz BRJLWHCAVOBUQF-UHFFFAOYSA-N 2 0 235.322 0.997 20 0 BCADRP CCON(C)C(=O)CNCc1cncn1CC ZINC000846062782 588255029 /nfs/dbraw/zinc/25/50/29/588255029.db2.gz JZLSIMVLYPEXRD-UHFFFAOYSA-N 2 0 240.307 0.403 20 0 BCADRP Cc1nc2n(n1)CCN(CCCCCC[NH3+])C2 ZINC000846220485 588261439 /nfs/dbraw/zinc/26/14/39/588261439.db2.gz QVZONVOEQDITTI-UHFFFAOYSA-N 2 0 237.351 0.921 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)NOC2CC[NH+](C)CC2)C1 ZINC000846648274 588280714 /nfs/dbraw/zinc/28/07/14/588280714.db2.gz QVYGKXPKKNHKBF-SNVBAGLBSA-N 2 0 241.335 0.080 20 0 BCADRP O=C([C@H]1CCC[NH2+]CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000846676913 588281978 /nfs/dbraw/zinc/28/19/78/588281978.db2.gz KVCKZFXGFNUBNZ-TUAOUCFPSA-N 2 0 237.347 0.196 20 0 BCADRP CC[NH2+]CC(=O)NCCC[N@H+](C)CC(C)C ZINC000846686412 588283012 /nfs/dbraw/zinc/28/30/12/588283012.db2.gz IPNHFOPIUBDUSS-UHFFFAOYSA-N 2 0 229.368 0.690 20 0 BCADRP CC[NH2+]CC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846690101 588283107 /nfs/dbraw/zinc/28/31/07/588283107.db2.gz ZDQUSDWQOSQHFS-JQWIXIFHSA-N 2 0 225.336 0.183 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000846696146 588283333 /nfs/dbraw/zinc/28/33/33/588283333.db2.gz XRZISAZNBAVSGE-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+]CCC1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000846695085 588283405 /nfs/dbraw/zinc/28/34/05/588283405.db2.gz HZGSYDWHXZORMG-GFCCVEGCSA-N 2 0 239.363 0.701 20 0 BCADRP [NH3+][C@H](CC(=O)NCCC1CC[NH2+]CC1)C1CC1 ZINC000846700943 588283429 /nfs/dbraw/zinc/28/34/29/588283429.db2.gz KGFYFZKDUHAMPL-GFCCVEGCSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000846741379 588284038 /nfs/dbraw/zinc/28/40/38/588284038.db2.gz AOYLFPGGIIDHEI-DVVUODLYSA-N 2 0 225.336 0.452 20 0 BCADRP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000848427819 588383596 /nfs/dbraw/zinc/38/35/96/588383596.db2.gz QQXMZOCXSNQWHQ-UHXUPSOCSA-N 2 0 249.358 0.196 20 0 BCADRP C[C@H](CCO)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848557299 588397262 /nfs/dbraw/zinc/39/72/62/588397262.db2.gz HCPJEISYWUFLAH-MXWKQRLJSA-N 2 0 200.326 0.687 20 0 BCADRP C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)C1C[NH2+]C1 ZINC000848721037 588408592 /nfs/dbraw/zinc/40/85/92/588408592.db2.gz GNNFGMMPVRGVAD-LDYMZIIASA-N 2 0 239.319 0.167 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)C2CC2)C1 ZINC000848722929 588408969 /nfs/dbraw/zinc/40/89/69/588408969.db2.gz UETYMPJSKJPFTM-ZJUUUORDSA-N 2 0 246.376 0.423 20 0 BCADRP CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000848986951 588425651 /nfs/dbraw/zinc/42/56/51/588425651.db2.gz BPSRWALHOWPIGC-VHSXEESVSA-N 2 0 212.341 0.851 20 0 BCADRP [NH2+]=C(NCCC[NH+]1CCC(O)CC1)NC1CC1 ZINC000848987893 588426274 /nfs/dbraw/zinc/42/62/74/588426274.db2.gz MUTWTUDKKVKZQW-UHFFFAOYSA-N 2 0 240.351 0.110 20 0 BCADRP COCCNC(=[NH2+])NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000848987663 588426422 /nfs/dbraw/zinc/42/64/22/588426422.db2.gz OKAYMRZVOGLRFM-LLVKDONJSA-N 2 0 242.367 0.479 20 0 BCADRP [NH2+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC1 ZINC000848992592 588427949 /nfs/dbraw/zinc/42/79/49/588427949.db2.gz LAMHVSWVPHHURP-SNVBAGLBSA-N 2 0 222.336 0.701 20 0 BCADRP CC[C@H](C)NC(=[NH2+])NCCC[N@H+](C)CCOC ZINC000848993176 588428011 /nfs/dbraw/zinc/42/80/11/588428011.db2.gz CZNVBQYFHPWHMK-NSHDSACASA-N 2 0 244.383 0.867 20 0 BCADRP C[C@@H](CNC(=[NH2+])N(C)C)[NH+]1CCCCC1 ZINC000848995567 588428578 /nfs/dbraw/zinc/42/85/78/588428578.db2.gz RFHSPCSYSPWELT-JTQLQIEISA-N 2 0 212.341 0.947 20 0 BCADRP CN(C(=[NH2+])NCCNc1cc[nH+]cc1)C1CC1 ZINC000848995259 588428678 /nfs/dbraw/zinc/42/86/78/588428678.db2.gz MZUXQMAXRCZNBV-UHFFFAOYSA-N 2 0 233.319 0.534 20 0 BCADRP [NH2+]=C(NCCNc1cc[nH+]cc1)N1CCCCC1 ZINC000848995471 588428740 /nfs/dbraw/zinc/42/87/40/588428740.db2.gz ZWVQVCAMGPKXJX-UHFFFAOYSA-N 2 0 247.346 0.926 20 0 BCADRP CN1CCC[NH+]=C1NC[C@H](C1CC1)[NH+](C)C ZINC000848994991 588428764 /nfs/dbraw/zinc/42/87/64/588428764.db2.gz XOQUZCBADVVCBC-LLVKDONJSA-N 2 0 224.352 0.608 20 0 BCADRP C[NH+]1CCC(CNC(=[NH2+])N2CCC2)CC1 ZINC000848998894 588429927 /nfs/dbraw/zinc/42/99/27/588429927.db2.gz GTUJIGOXMDBTHB-UHFFFAOYSA-N 2 0 210.325 0.558 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])N1CCC1 ZINC000849000994 588430752 /nfs/dbraw/zinc/43/07/52/588430752.db2.gz NGLZSZXWEXWMSM-JTQLQIEISA-N 2 0 212.341 0.947 20 0 BCADRP [NH2+]=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC1 ZINC000849000280 588430455 /nfs/dbraw/zinc/43/04/55/588430455.db2.gz OVUYXZNHPFQZQK-QWRGUYRKSA-N 2 0 238.335 0.080 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=[NH2+])NC2CC2)C1 ZINC000849004779 588431977 /nfs/dbraw/zinc/43/19/77/588431977.db2.gz ZEDSVNROSHSDID-VIFPVBQESA-N 2 0 210.325 0.605 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000849005268 588432042 /nfs/dbraw/zinc/43/20/42/588432042.db2.gz JFMWYSDLYZABAV-JTQLQIEISA-N 2 0 224.352 0.995 20 0 BCADRP CCNC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000849007215 588433187 /nfs/dbraw/zinc/43/31/87/588433187.db2.gz BRNJJSPCQYMAMJ-UHFFFAOYSA-N 2 0 228.340 0.231 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)CNC1=[NH+]C[C@@H](C)N1 ZINC000849011974 588435436 /nfs/dbraw/zinc/43/54/36/588435436.db2.gz AWPSBTBIYIFJBE-MNOVXSKESA-N 2 0 242.367 0.281 20 0 BCADRP CCNC(=[NH2+])NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000849022529 588439400 /nfs/dbraw/zinc/43/94/00/588439400.db2.gz GWRGCRMWTWYXKZ-LLVKDONJSA-N 2 0 242.367 0.621 20 0 BCADRP CCNC(=[NH2+])NCCCN(C)CC[NH+](C)C ZINC000849028206 588441340 /nfs/dbraw/zinc/44/13/40/588441340.db2.gz KAFAUMXIMCWDLN-UHFFFAOYSA-N 2 0 229.372 0.004 20 0 BCADRP CCOCCCNC(=[NH2+])NC[C@H](C)C[NH+](C)C ZINC000849030269 588442326 /nfs/dbraw/zinc/44/23/26/588442326.db2.gz HEFBPQSFZAXILZ-NSHDSACASA-N 2 0 244.383 0.725 20 0 BCADRP COC[C@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+](C)C ZINC000849030420 588442371 /nfs/dbraw/zinc/44/23/71/588442371.db2.gz OEVYIPDNDSDBQB-ZJUUUORDSA-N 2 0 230.356 0.333 20 0 BCADRP COCCNC(=[NH2+])NCCCC[N@H+](C)C1CC1 ZINC000849039746 588447292 /nfs/dbraw/zinc/44/72/92/588447292.db2.gz PXUMVSNRJIHLLO-UHFFFAOYSA-N 2 0 242.367 0.621 20 0 BCADRP C[C@@H](CCNC(=S)NCC[NH+](C)C)[NH+](C)C ZINC000849279837 588469169 /nfs/dbraw/zinc/46/91/69/588469169.db2.gz IVRGCOLLAXYJKC-JTQLQIEISA-N 2 0 246.424 0.352 20 0 BCADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+][C@H]2C=CCC2)C1 ZINC000849349522 588474213 /nfs/dbraw/zinc/47/42/13/588474213.db2.gz CBFWXIYVEBWFFN-RYUDHWBXSA-N 2 0 237.347 0.492 20 0 BCADRP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CNC(=O)C1 ZINC000852008683 588654887 /nfs/dbraw/zinc/65/48/87/588654887.db2.gz WPKGCAVUBMEQGK-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP CN1CCC[C@H]([N@@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000852743536 588698618 /nfs/dbraw/zinc/69/86/18/588698618.db2.gz DYJWCSKOXSNWJX-QWRGUYRKSA-N 2 0 225.336 0.278 20 0 BCADRP C([C@H]1CNCCO1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000852746339 588698834 /nfs/dbraw/zinc/69/88/34/588698834.db2.gz IZXPQQNVGJOTTR-GFCCVEGCSA-N 3 0 239.363 0.050 20 0 BCADRP [NH3+]C1CCC(NC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852794104 588703186 /nfs/dbraw/zinc/70/31/86/588703186.db2.gz LDCFJVNOCZKXGJ-UHFFFAOYSA-N 2 0 237.347 0.682 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000852794448 588703201 /nfs/dbraw/zinc/70/32/01/588703201.db2.gz PBAGJPMCBAXTHP-MNOVXSKESA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000852794089 588703223 /nfs/dbraw/zinc/70/32/23/588703223.db2.gz LKGIQCYKXBFJCG-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852793454 588703248 /nfs/dbraw/zinc/70/32/48/588703248.db2.gz BFHAYJZIRHDHPJ-JTQLQIEISA-N 2 0 223.320 0.117 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852794315 588703322 /nfs/dbraw/zinc/70/33/22/588703322.db2.gz OHVZQERXSJVAPZ-VIFPVBQESA-N 2 0 211.309 0.150 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000852794172 588703324 /nfs/dbraw/zinc/70/33/24/588703324.db2.gz MFWIHHWKIHCXNB-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP CN(C(=O)C=C1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000852797297 588703651 /nfs/dbraw/zinc/70/36/51/588703651.db2.gz NWOCNAXIVZOWBC-LLVKDONJSA-N 2 0 223.320 0.117 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852798660 588704017 /nfs/dbraw/zinc/70/40/17/588704017.db2.gz NKMCZFADEDMGON-LBPRGKRZSA-N 2 0 237.347 0.507 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC[N@H+](CC)C(C)C ZINC000852801449 588704612 /nfs/dbraw/zinc/70/46/12/588704612.db2.gz LKXODXOLLUOKAZ-NSHDSACASA-N 2 0 229.368 0.831 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000852823233 588705636 /nfs/dbraw/zinc/70/56/36/588705636.db2.gz CVWBHSXDALDEPC-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000852823229 588705781 /nfs/dbraw/zinc/70/57/81/588705781.db2.gz CUQSGCSJOJTQFH-LLVKDONJSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000852824067 588705823 /nfs/dbraw/zinc/70/58/23/588705823.db2.gz OZKXTVOVVGETQX-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC23CCCC3)CC[NH2+]1 ZINC000852825814 588706155 /nfs/dbraw/zinc/70/61/55/588706155.db2.gz WJQLVWDEXIKEGO-MNOVXSKESA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)[C@@H]2[NH2+]CC23CCCC3)C1 ZINC000852826566 588706157 /nfs/dbraw/zinc/70/61/57/588706157.db2.gz UWOJTMXUJUOQBS-QWRGUYRKSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@H](CCNC(=O)[C@@]1(F)CC[NH2+]C1)[NH+](C)C ZINC000852846151 588706340 /nfs/dbraw/zinc/70/63/40/588706340.db2.gz DBHHCICTDFIKLQ-MWLCHTKSSA-N 2 0 231.315 0.144 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000852832411 588706795 /nfs/dbraw/zinc/70/67/95/588706795.db2.gz MBGJXGKQGIAMNB-QMMMGPOBSA-N 2 0 235.278 0.098 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@]2(F)CC[NH2+]C2)CCCC1 ZINC000852852301 588708223 /nfs/dbraw/zinc/70/82/23/588708223.db2.gz STHSPBPVZGDPFE-LLVKDONJSA-N 2 0 229.299 0.076 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C=C1CC[NH2+]CC1 ZINC000852854767 588708613 /nfs/dbraw/zinc/70/86/13/588708613.db2.gz OWUPBOLHKDPFPE-UHFFFAOYSA-N 2 0 239.363 0.753 20 0 BCADRP [NH3+]Cc1cccc(C(=O)N2CC3CC2(C[NH3+])C3)c1 ZINC000852859427 588708723 /nfs/dbraw/zinc/70/87/23/588708723.db2.gz SUHUNDRRBNZBFB-UHFFFAOYSA-N 2 0 245.326 0.709 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852858785 588708945 /nfs/dbraw/zinc/70/89/45/588708945.db2.gz HCHSQSAWQBMRDW-GFCCVEGCSA-N 2 0 237.347 0.364 20 0 BCADRP CN1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852874547 588709173 /nfs/dbraw/zinc/70/91/73/588709173.db2.gz RHGBKSIGWPYARA-UHFFFAOYSA-N 2 0 223.320 0.070 20 0 BCADRP [NH3+][C@@H](CNC(=O)C=C1CC[NH2+]CC1)C1CC1 ZINC000852873932 588709904 /nfs/dbraw/zinc/70/99/04/588709904.db2.gz HQAZKQJGGCVTAX-NSHDSACASA-N 2 0 223.320 0.150 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C=C1CC[NH2+]CC1 ZINC000852873710 588709925 /nfs/dbraw/zinc/70/99/25/588709925.db2.gz AJWXIHADVFAIFI-SECBINFHSA-N 2 0 211.309 0.150 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000852875384 588709988 /nfs/dbraw/zinc/70/99/88/588709988.db2.gz IZOKBKCBKUYFLX-AWEZNQCLSA-N 2 0 249.358 0.508 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000852877671 588710383 /nfs/dbraw/zinc/71/03/83/588710383.db2.gz IZIRJSBIENIQGC-DGCLKSJQSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C=C1CC[NH2+]CC1 ZINC000852878409 588710625 /nfs/dbraw/zinc/71/06/25/588710625.db2.gz KFPGYYQFSIKFAM-ZYHUDNBSSA-N 2 0 237.347 0.410 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N[C@H]1CCC[NH2+]CC1 ZINC000852878820 588710665 /nfs/dbraw/zinc/71/06/65/588710665.db2.gz PRYQMFPNXLYXMK-LBPRGKRZSA-N 2 0 237.347 0.555 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C=C2CC[NH2+]CC2)CC[NH2+]1 ZINC000852878760 588710666 /nfs/dbraw/zinc/71/06/66/588710666.db2.gz OCCZUKPYGGDPFA-ZYHUDNBSSA-N 2 0 237.347 0.553 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000852882108 588710923 /nfs/dbraw/zinc/71/09/23/588710923.db2.gz YFHZGGMFLZVLJX-CHWSQXEVSA-N 2 0 249.358 0.507 20 0 BCADRP CN(C(=O)C=C1CC[NH2+]CC1)C1CC([NH3+])C1 ZINC000852881139 588710985 /nfs/dbraw/zinc/71/09/85/588710985.db2.gz IJZHQBCLZZKRDU-UHFFFAOYSA-N 2 0 223.320 0.244 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C=C1CC[NH2+]CC1 ZINC000852894733 588712064 /nfs/dbraw/zinc/71/20/64/588712064.db2.gz YDOOBNYNBVDSQT-ZJUUUORDSA-N 2 0 225.336 0.538 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC000852921615 588713500 /nfs/dbraw/zinc/71/35/00/588713500.db2.gz OXDXMQAJOKHUIF-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000852924875 588713618 /nfs/dbraw/zinc/71/36/18/588713618.db2.gz VYUCMLZSKMIAOL-JTQLQIEISA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)NCC[N@H+](C)C1CC1 ZINC000861575820 589168995 /nfs/dbraw/zinc/16/89/95/589168995.db2.gz RNUHDMOFSVQDGS-VIFPVBQESA-N 2 0 228.340 0.069 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861641432 589172211 /nfs/dbraw/zinc/17/22/11/589172211.db2.gz SDWBQRUHDFQITI-NXEZZACHSA-N 2 0 230.356 0.493 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861643553 589172518 /nfs/dbraw/zinc/17/25/18/589172518.db2.gz HNTCCRQDYNIGSP-VHSXEESVSA-N 2 0 230.356 0.493 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000861642879 589172623 /nfs/dbraw/zinc/17/26/23/589172623.db2.gz JVFGHIFOYNBMOM-GXSJLCMTSA-N 2 0 242.367 0.493 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)NCCCCCC[NH3+] ZINC000861647638 589172876 /nfs/dbraw/zinc/17/28/76/589172876.db2.gz LRBFFDGHNZDNHZ-JTQLQIEISA-N 2 0 230.356 0.494 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861658888 589173616 /nfs/dbraw/zinc/17/36/16/589173616.db2.gz QEQFTPSUZGIIPY-NXEZZACHSA-N 2 0 240.351 0.260 20 0 BCADRP COC(=O)C1=CC[C@@H]([NH2+][C@H](C)C2C[NH2+]C2)C1 ZINC000863541003 589296449 /nfs/dbraw/zinc/29/64/49/589296449.db2.gz FNZPWGSLWGHBFP-LDYMZIIASA-N 2 0 224.304 0.446 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ncc[nH]1 ZINC000863544273 589296944 /nfs/dbraw/zinc/29/69/44/589296944.db2.gz PMOJGCWVFVZDIY-VIFPVBQESA-N 2 0 212.297 0.296 20 0 BCADRP CON(C)C(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000863545757 589298146 /nfs/dbraw/zinc/29/81/46/589298146.db2.gz BCTFFSSCYADWBA-GUBZILKMSA-N 2 0 229.324 0.254 20 0 BCADRP C[C@H]([NH3+])CN(C)Cc1ccc2c(c1)nnn2C ZINC000863651442 589306761 /nfs/dbraw/zinc/30/67/61/589306761.db2.gz ITFGSWXKHKFQEA-VIFPVBQESA-N 2 0 233.319 0.747 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC000863972446 589330585 /nfs/dbraw/zinc/33/05/85/589330585.db2.gz DWRRVIQHROLUEH-WISYIIOYSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC000863972442 589330598 /nfs/dbraw/zinc/33/05/98/589330598.db2.gz DWRRVIQHROLUEH-FIQHERPVSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000864451785 589365346 /nfs/dbraw/zinc/36/53/46/589365346.db2.gz JSQJALGPQPMFQM-FOGDFJRCSA-N 2 0 236.363 0.993 20 0 BCADRP C[C@@H](CNC(=[NH2+])N[C@@H]1C[C@H]1C)[NH+]1CCCC1 ZINC000864454311 589365977 /nfs/dbraw/zinc/36/59/77/589365977.db2.gz WKJLFLQIVSKUMW-OUAUKWLOSA-N 2 0 224.352 0.993 20 0 BCADRP CC(C)[N@H+](C)CCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864455936 589366963 /nfs/dbraw/zinc/36/69/63/589366963.db2.gz AYBAKMURVDBRQM-NXEZZACHSA-N 2 0 212.341 0.849 20 0 BCADRP C[C@@H](CNC(=[NH2+])N[C@@H]1C[C@H]1C)[N@H+](C)C1CC1 ZINC000864457388 589367420 /nfs/dbraw/zinc/36/74/20/589367420.db2.gz SCPURTPGBXFWBD-WCABBAIRSA-N 2 0 224.352 0.991 20 0 BCADRP C[C@H](CNC(=[NH2+])N[C@@H]1C[C@@H]1C)C[NH+](C)C ZINC000864467618 589371611 /nfs/dbraw/zinc/37/16/11/589371611.db2.gz VFFBNARFZMYSAL-KXUCPTDWSA-N 2 0 212.341 0.706 20 0 BCADRP C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000865659015 589454954 /nfs/dbraw/zinc/45/49/54/589454954.db2.gz CIUOCSJRJXFXEU-SDDRHHMPSA-N 2 0 242.363 0.599 20 0 BCADRP CC1(C)CC[NH2+]CCN1C[C@@H]1C[NH2+]CCO1 ZINC000866697245 589512589 /nfs/dbraw/zinc/51/25/89/589512589.db2.gz KJCVMUOCFHIHGB-NSHDSACASA-N 2 0 227.352 0.049 20 0 BCADRP C[C@@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000868006573 589543852 /nfs/dbraw/zinc/54/38/52/589543852.db2.gz UCHXOZNEZKOYQB-LPEHRKFASA-N 2 0 227.352 0.474 20 0 BCADRP C[C@@H](NC(=O)[C@@]1(C)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000868005274 589544042 /nfs/dbraw/zinc/54/40/42/589544042.db2.gz NKZAQYZBIAYESI-MFKMUULPSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868012750 589544459 /nfs/dbraw/zinc/54/44/59/589544459.db2.gz UCHXOZNEZKOYQB-GUBZILKMSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@@H](C(=O)N[C@@H](C)C1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000868012751 589544473 /nfs/dbraw/zinc/54/44/73/589544473.db2.gz UCHXOZNEZKOYQB-UTLUCORTSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000868013102 589544491 /nfs/dbraw/zinc/54/44/91/589544491.db2.gz NKZAQYZBIAYESI-GXFFZTMASA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000870866234 589692217 /nfs/dbraw/zinc/69/22/17/589692217.db2.gz OVLWCLIQVQONAC-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870891637 589694937 /nfs/dbraw/zinc/69/49/37/589694937.db2.gz FMRHVVJTZLGYIF-NRUUGDAUSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@@H](C)C[NH2+]1 ZINC000870912507 589696658 /nfs/dbraw/zinc/69/66/58/589696658.db2.gz GYQLYPYOHXQHKN-JPYZYGQNSA-N 2 0 237.347 0.323 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870915274 589696805 /nfs/dbraw/zinc/69/68/05/589696805.db2.gz FZQLRJCSAPAMOJ-PHIMTYICSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1CN(C(=O)CCC23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000870913279 589696847 /nfs/dbraw/zinc/69/68/47/589696847.db2.gz SBDMYWXSBAYUCW-XSRFYTQQSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870933979 589697966 /nfs/dbraw/zinc/69/79/66/589697966.db2.gz BWYOXJVIDJDVPV-XZUYRWCXSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000870934057 589698133 /nfs/dbraw/zinc/69/81/33/589698133.db2.gz DJEYNGYZCZDRHR-SRRSOLGSSA-N 2 0 237.347 0.372 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870933652 589698143 /nfs/dbraw/zinc/69/81/43/589698143.db2.gz SKPGBVOIDUOAJL-QWKFWESOSA-N 2 0 237.347 0.339 20 0 BCADRP CC[NH2+]CCCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870933005 589698211 /nfs/dbraw/zinc/69/82/11/589698211.db2.gz NGIUYABAOQLPHD-UHFFFAOYSA-N 2 0 239.363 0.634 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870933933 589698246 /nfs/dbraw/zinc/69/82/46/589698246.db2.gz AVCTYVJZVCTHBD-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC2CC[NH2+]CC2)C1 ZINC000870933008 589698259 /nfs/dbraw/zinc/69/82/59/589698259.db2.gz NJEYETNUCZHHNL-DMDPSCGWSA-N 2 0 237.347 0.230 20 0 BCADRP O=C(CC[NH2+]CC1CC1)NCC[NH2+]C1CC1 ZINC000870936071 589698353 /nfs/dbraw/zinc/69/83/53/589698353.db2.gz YQLVTBSCGNHFSX-UHFFFAOYSA-N 2 0 225.336 0.244 20 0 BCADRP O=C(CC[NH2+]CC1CC1)NCC[C@@H]1CC[NH2+]C1 ZINC000870934717 589698399 /nfs/dbraw/zinc/69/83/99/589698399.db2.gz FBNVIGNGRJFHDD-LBPRGKRZSA-N 2 0 239.363 0.492 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000870935124 589698404 /nfs/dbraw/zinc/69/84/04/589698404.db2.gz KGHIMBDRACYFPA-MEWQQHAOSA-N 2 0 237.347 0.230 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000870934431 589698450 /nfs/dbraw/zinc/69/84/50/589698450.db2.gz NNJPNMAEHSCFCL-LSCVPOLPSA-N 2 0 237.347 0.230 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870934637 589698610 /nfs/dbraw/zinc/69/86/10/589698610.db2.gz QBJNLRNGCDNKNY-GFCCVEGCSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)[NH2+]1 ZINC000870936563 589698661 /nfs/dbraw/zinc/69/86/61/589698661.db2.gz MKEBKIGZJIEGSW-NNYUYHANSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870937270 589698687 /nfs/dbraw/zinc/69/86/87/589698687.db2.gz YJCGCVNJIOIYKO-BBBLOLIVSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]1CN(C(=O)CC[NH2+]CC2CC2)CC[C@@H]1[NH3+] ZINC000870937231 589698798 /nfs/dbraw/zinc/69/87/98/589698798.db2.gz XCBLRJIXZHTQGG-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870937083 589698858 /nfs/dbraw/zinc/69/88/58/589698858.db2.gz SXVHJWLXKZALTP-KLBPJQLPSA-N 2 0 225.336 0.213 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870938182 589698967 /nfs/dbraw/zinc/69/89/67/589698967.db2.gz ZEYDTOIYUVXITO-KLBPJQLPSA-N 2 0 223.320 0.064 20 0 BCADRP CN(CCC[NH3+])C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870937985 589698984 /nfs/dbraw/zinc/69/89/84/589698984.db2.gz WXLNRLSUTHKENL-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])CC1)C1CC1 ZINC000870939203 589699219 /nfs/dbraw/zinc/69/92/19/589699219.db2.gz MORQIULRTOSPQS-OUAUKWLOSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870939579 589699228 /nfs/dbraw/zinc/69/92/28/589699228.db2.gz YOMCERHCKLNGTL-BBBLOLIVSA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000870941346 589699692 /nfs/dbraw/zinc/69/96/92/589699692.db2.gz VWSBZDVZTPDMED-GRYCIOLGSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870941587 589699697 /nfs/dbraw/zinc/69/96/97/589699697.db2.gz YZMJAELNUDJGJT-IIEKFROSSA-N 2 0 237.347 0.228 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[NH2+]1 ZINC000870941850 589699719 /nfs/dbraw/zinc/69/97/19/589699719.db2.gz BIAYSEOKLGPRDJ-UGCHFJIKSA-N 2 0 237.347 0.371 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870941588 589699764 /nfs/dbraw/zinc/69/97/64/589699764.db2.gz YZMJAELNUDJGJT-UGCHFJIKSA-N 2 0 237.347 0.228 20 0 BCADRP CC[C@H]1CN(C(=O)C[C@@H](C)[NH3+])CC[C@@H]1[NH3+] ZINC000870941068 589699770 /nfs/dbraw/zinc/69/97/70/589699770.db2.gz RSUASJOANFWXAL-UTLUCORTSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870947400 589700789 /nfs/dbraw/zinc/70/07/89/589700789.db2.gz PDASQCSWRMQTTO-UTINFBMNSA-N 2 0 213.325 0.356 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870947403 589700861 /nfs/dbraw/zinc/70/08/61/589700861.db2.gz PDASQCSWRMQTTO-ZYUZMQFOSA-N 2 0 213.325 0.356 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870951449 589701296 /nfs/dbraw/zinc/70/12/96/589701296.db2.gz AMAJQPAFWAPXEY-AOOOYVTPSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000870959924 589701582 /nfs/dbraw/zinc/70/15/82/589701582.db2.gz ZBHZMNIVLOFMNR-FXPVBKGRSA-N 2 0 211.309 0.064 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000870963091 589701755 /nfs/dbraw/zinc/70/17/55/589701755.db2.gz HGPQVWVXUKBVIH-CHWFTXMASA-N 2 0 225.336 0.180 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870964593 589702129 /nfs/dbraw/zinc/70/21/29/589702129.db2.gz HMJHJHWZPLSBGS-YTWAJWBKSA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870964595 589702167 /nfs/dbraw/zinc/70/21/67/589702167.db2.gz HMJHJHWZPLSBGS-ZRUFSTJUSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965909 589702358 /nfs/dbraw/zinc/70/23/58/589702358.db2.gz XWYBRRTZZUTZSX-MMWGEVLESA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+]C[C@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000870965889 589702384 /nfs/dbraw/zinc/70/23/84/589702384.db2.gz WYNFUZVTBKTDNG-UHTWSYAYSA-N 2 0 247.342 0.582 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870967529 589702947 /nfs/dbraw/zinc/70/29/47/589702947.db2.gz ZHNISZDMLMQSDC-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870970876 589703358 /nfs/dbraw/zinc/70/33/58/589703358.db2.gz NHWKMQDSTVZLJS-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000870972755 589703599 /nfs/dbraw/zinc/70/35/99/589703599.db2.gz UETGCKLBPMKRDU-HOMQSWHASA-N 2 0 245.326 0.757 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972236 589703742 /nfs/dbraw/zinc/70/37/42/589703742.db2.gz BMEANOUSKQQTTB-SRVKXCTJSA-N 2 0 241.379 0.851 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000870972377 589703751 /nfs/dbraw/zinc/70/37/51/589703751.db2.gz ZGPSJINYWSPBKZ-HAQNSBGRSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870980759 589704529 /nfs/dbraw/zinc/70/45/29/589704529.db2.gz BOIJITJJODSUFE-NNYUYHANSA-N 2 0 239.363 0.522 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH3+])CC[C@H]21 ZINC000870981053 589704566 /nfs/dbraw/zinc/70/45/66/589704566.db2.gz FMFDSKMOAGJPCI-WDEREUQCSA-N 2 0 225.336 0.278 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870983277 589705139 /nfs/dbraw/zinc/70/51/39/589705139.db2.gz URCQBMKJBQECQS-SDDRHHMPSA-N 2 0 239.363 0.395 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH3+])CC[C@H]21 ZINC000870983623 589705267 /nfs/dbraw/zinc/70/52/67/589705267.db2.gz WYNDQZZZEHZDEV-NXEZZACHSA-N 2 0 225.336 0.276 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870983981 589705338 /nfs/dbraw/zinc/70/53/38/589705338.db2.gz FJUHHOBFJMWDIZ-KOLCDFICSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000870984449 589705459 /nfs/dbraw/zinc/70/54/59/589705459.db2.gz TWROBULVLAETET-PWSUYJOCSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870984223 589705473 /nfs/dbraw/zinc/70/54/73/589705473.db2.gz LAFVPGRMCSUVLI-KOLCDFICSA-N 2 0 227.352 0.489 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH3+])CC[C@H]21 ZINC000870983626 589705550 /nfs/dbraw/zinc/70/55/50/589705550.db2.gz WYNDQZZZEHZDEV-VHSXEESVSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000870987825 589707040 /nfs/dbraw/zinc/70/70/40/589707040.db2.gz TWROBULVLAETET-CMPLNLGQSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870988185 589707050 /nfs/dbraw/zinc/70/70/50/589707050.db2.gz HVXZFNMMNWXVNP-NHCYSSNCSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870987560 589707087 /nfs/dbraw/zinc/70/70/87/589707087.db2.gz NHQBHJLVNICZML-PWSUYJOCSA-N 2 0 241.379 0.864 20 0 BCADRP C[NH2+]CC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870990746 589708054 /nfs/dbraw/zinc/70/80/54/589708054.db2.gz BCLOKWBPHYRGSB-GFCCVEGCSA-N 2 0 227.352 0.429 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870992086 589708205 /nfs/dbraw/zinc/70/82/05/589708205.db2.gz IBRGXLYQRIBZHN-GXFFZTMASA-N 2 0 241.379 0.947 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000123495371 589733895 /nfs/dbraw/zinc/73/38/95/589733895.db2.gz UWQMJFVIEKYPII-NSHDSACASA-N 2 0 241.379 0.818 20 0 BCADRP C[NH+](C)CC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871358283 589756650 /nfs/dbraw/zinc/75/66/50/589756650.db2.gz OSZFUKSYABCCDQ-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000123896266 589849232 /nfs/dbraw/zinc/84/92/32/589849232.db2.gz ATHFDBGXFDFGKG-SNVBAGLBSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000123896037 589850136 /nfs/dbraw/zinc/85/01/36/589850136.db2.gz ATHFDBGXFDFGKG-JTQLQIEISA-N 2 0 227.352 0.570 20 0 BCADRP FC(F)[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000872146474 589884806 /nfs/dbraw/zinc/88/48/06/589884806.db2.gz OUBIXQALJQIPPW-NXEZZACHSA-N 2 0 234.290 0.952 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C[C@H]1CC[NH2+]C1)C2 ZINC000872150604 589885055 /nfs/dbraw/zinc/88/50/55/589885055.db2.gz XTYMVQAZJBUQKA-SDDRHHMPSA-N 2 0 209.337 0.137 20 0 BCADRP CC(=O)C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000872146759 589885523 /nfs/dbraw/zinc/88/55/23/589885523.db2.gz WTOFFZAKGJXABB-LLVKDONJSA-N 2 0 210.321 0.897 20 0 BCADRP CN1CCC[C@@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000872154535 589886300 /nfs/dbraw/zinc/88/63/00/589886300.db2.gz SFTPPJUJYXBWQO-DMDPSCGWSA-N 2 0 237.347 0.149 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872257385 589901094 /nfs/dbraw/zinc/90/10/94/589901094.db2.gz GSHFMBMPLQBCOD-URBCHYCLSA-N 2 0 239.363 0.603 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CC1 ZINC000872257473 589901668 /nfs/dbraw/zinc/90/16/68/589901668.db2.gz IUYJQKLTCHNHTN-URBCHYCLSA-N 2 0 237.347 0.357 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000872289951 589906406 /nfs/dbraw/zinc/90/64/06/589906406.db2.gz GNZQVSPOAMVZNP-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@@H]1C ZINC000872288509 589906560 /nfs/dbraw/zinc/90/65/60/589906560.db2.gz MUYLHURHHDPRIA-YFVNTRNASA-N 2 0 237.347 0.323 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872293108 589907208 /nfs/dbraw/zinc/90/72/08/589907208.db2.gz GQRRFQIZSJUNOD-MXWKQRLJSA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872293042 589907234 /nfs/dbraw/zinc/90/72/34/589907234.db2.gz CXXFOCAEVQXEFD-NRUUGDAUSA-N 2 0 239.363 0.748 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872299604 589907953 /nfs/dbraw/zinc/90/79/53/589907953.db2.gz NEPWRIYMGUTHAE-COMAGPEQSA-N 2 0 239.363 0.603 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000872297929 589907985 /nfs/dbraw/zinc/90/79/85/589907985.db2.gz YZXOHAMRANFTQX-LLVKDONJSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[NH2+]CCC1(C)C ZINC000872298591 589908071 /nfs/dbraw/zinc/90/80/71/589908071.db2.gz NZRUNDVOBQPAMK-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[NH2+]CCC1(C)C ZINC000872301309 589908372 /nfs/dbraw/zinc/90/83/72/589908372.db2.gz PINCPKXLGWBESU-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872309019 589908753 /nfs/dbraw/zinc/90/87/53/589908753.db2.gz MTKRTAAICQIVNM-RWHSBRQSSA-N 2 0 223.320 0.062 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)C1 ZINC000872313206 589909433 /nfs/dbraw/zinc/90/94/33/589909433.db2.gz GNXWZTUVQIPWHC-FUVSOYRFSA-N 2 0 249.358 0.515 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)C1 ZINC000872313204 589909473 /nfs/dbraw/zinc/90/94/73/589909473.db2.gz GNXWZTUVQIPWHC-CDCRFNPESA-N 2 0 249.358 0.515 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000124089992 589940087 /nfs/dbraw/zinc/94/00/87/589940087.db2.gz LLZOFOLCNBVRLH-RYUDHWBXSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH+](C)CCNC(=O)CCCCC[NH3+] ZINC000019518812 589944398 /nfs/dbraw/zinc/94/43/98/589944398.db2.gz DARWDWAJAZOXNO-UHFFFAOYSA-N 2 0 201.314 0.183 20 0 BCADRP [NH3+]C[C@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000873200697 589992726 /nfs/dbraw/zinc/99/27/26/589992726.db2.gz DMXZCFCZFQDDSS-VOMCLLRMSA-N 2 0 209.337 0.409 20 0 BCADRP CN(Cc1cc2c(s1)CC[NH2+]C2)C1C[NH2+]C1 ZINC000873210299 589995550 /nfs/dbraw/zinc/99/55/50/589995550.db2.gz BKEVSOCGUPICGV-UHFFFAOYSA-N 2 0 237.372 0.797 20 0 BCADRP Nc1cnc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cn1 ZINC000873212894 589997099 /nfs/dbraw/zinc/99/70/99/589997099.db2.gz RRYVVQQFYOZTRO-BDAKNGLRSA-N 2 0 221.308 0.276 20 0 BCADRP [NH3+]CC1(CN2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000873214120 589997470 /nfs/dbraw/zinc/99/74/70/589997470.db2.gz YGBYEWMDLGVSIK-LBPRGKRZSA-N 2 0 209.337 0.553 20 0 BCADRP CC(C)([NH3+])C[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000873215786 589997780 /nfs/dbraw/zinc/99/77/80/589997780.db2.gz FMYRYOHDGDPTLZ-MFDAYCCISA-N 2 0 210.321 0.737 20 0 BCADRP C([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)C1CC[NH2+]CC1 ZINC000873217424 589998266 /nfs/dbraw/zinc/99/82/66/589998266.db2.gz MEUTZKVZRGPMLG-MEBFFEOJSA-N 2 0 236.359 0.999 20 0 BCADRP C[C@H]([NH2+]Cc1cnc(N)cn1)C1CC[NH2+]CC1 ZINC000873220059 589998894 /nfs/dbraw/zinc/99/88/94/589998894.db2.gz IOLYBPNMDNYLQJ-VIFPVBQESA-N 2 0 235.335 0.537 20 0 BCADRP C[C@H]([NH2+]C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000873220920 589999278 /nfs/dbraw/zinc/99/92/78/589999278.db2.gz WVDSPWMJYICXOZ-JTQLQIEISA-N 3 0 211.353 0.716 20 0 BCADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000873222197 589999869 /nfs/dbraw/zinc/99/98/69/589999869.db2.gz FZXSMHANXFBOIM-NSHDSACASA-N 3 0 225.380 0.964 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C[C@@]1(C)CC[NH2+]C1)C2 ZINC000873228979 590001310 /nfs/dbraw/zinc/00/13/10/590001310.db2.gz LWQCPABLPLCPJY-RWMBFGLXSA-N 2 0 223.364 0.527 20 0 BCADRP C([NH2+][C@@]12CCC[C@H]1[NH2+]CC2)C1CC[NH2+]CC1 ZINC000873229786 590002139 /nfs/dbraw/zinc/00/21/39/590002139.db2.gz FZLILNFPHUWCEF-CHWSQXEVSA-N 3 0 223.364 0.860 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000873236645 590004348 /nfs/dbraw/zinc/00/43/48/590004348.db2.gz ZAZZQXRAFRJVSD-SRVKXCTJSA-N 2 0 243.395 0.547 20 0 BCADRP CC(C)(O)C[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000873236160 590004898 /nfs/dbraw/zinc/00/48/98/590004898.db2.gz VIYMKUXBLJPBKG-QJPTWQEYSA-N 2 0 241.379 0.301 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000873250325 590007269 /nfs/dbraw/zinc/00/72/69/590007269.db2.gz OYBZJBKTPKJQEN-KXNHARMFSA-N 3 0 211.353 0.973 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000873250328 590008179 /nfs/dbraw/zinc/00/81/79/590008179.db2.gz OYBZJBKTPKJQEN-WRWGMCAJSA-N 3 0 211.353 0.973 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000873253615 590009788 /nfs/dbraw/zinc/00/97/88/590009788.db2.gz BEDGFMGGTHTRSE-WYUUTHIRSA-N 3 0 211.353 0.796 20 0 BCADRP COC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C(C)C ZINC000873253852 590009859 /nfs/dbraw/zinc/00/98/59/590009859.db2.gz GBQFQVWSKZEENR-AXFHLTTASA-N 2 0 200.326 0.984 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000873255041 590010062 /nfs/dbraw/zinc/01/00/62/590010062.db2.gz DOJLAMDPNRNJCK-FIQHERPVSA-N 3 0 211.353 0.844 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CN1C1CC1 ZINC000873255698 590010862 /nfs/dbraw/zinc/01/08/62/590010862.db2.gz IHOWCSVJMMMFAC-FIQHERPVSA-N 2 0 223.364 0.939 20 0 BCADRP COC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)C(C)C ZINC000873255413 590011259 /nfs/dbraw/zinc/01/12/59/590011259.db2.gz GBQFQVWSKZEENR-GMTAPVOTSA-N 2 0 200.326 0.984 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccn(C)n1 ZINC000873257116 590011744 /nfs/dbraw/zinc/01/17/44/590011744.db2.gz RUTJDJAPTXAAPI-GUBZILKMSA-N 2 0 208.309 0.808 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256946 590011834 /nfs/dbraw/zinc/01/18/34/590011834.db2.gz RJMRALJIXPPOII-BJDJZHNGSA-N 3 0 211.353 0.701 20 0 BCADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257504 590012147 /nfs/dbraw/zinc/01/21/47/590012147.db2.gz TVWPPJKUYZSHDC-MRBYEJRBSA-N 2 0 223.364 0.796 20 0 BCADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873258549 590013010 /nfs/dbraw/zinc/01/30/10/590013010.db2.gz RUNZQBYHENNYGN-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH2+][C@H]1CCC[C@@H]1[NH3+])C1CC[NH2+]CC1 ZINC000873269259 590015431 /nfs/dbraw/zinc/01/54/31/590015431.db2.gz FFKIDKBPSUTFHG-USWWRNFRSA-N 3 0 211.353 0.844 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873269923 590016478 /nfs/dbraw/zinc/01/64/78/590016478.db2.gz MIOYVKGHXXYENN-YPMHNXCESA-N 3 0 243.395 0.718 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cncn1C ZINC000873276264 590017637 /nfs/dbraw/zinc/01/76/37/590017637.db2.gz OEKGUDUGDWJKPD-PWSUYJOCSA-N 2 0 222.336 0.898 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873297570 590025151 /nfs/dbraw/zinc/02/51/51/590025151.db2.gz YEWCULDRDISGOA-DDHJBXDOSA-N 2 0 212.337 0.735 20 0 BCADRP C[C@H](CNC(=O)[C@@H](C)[NH+](C)C)[NH+]1CCCCC1 ZINC000874112068 590092486 /nfs/dbraw/zinc/09/24/86/590092486.db2.gz NBRFRCNZYKNRDR-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C)[NH+](C)C ZINC000874822162 590141096 /nfs/dbraw/zinc/14/10/96/590141096.db2.gz GKIBRNVPZUCDEM-QJPTWQEYSA-N 2 0 239.363 0.632 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876507960 590205007 /nfs/dbraw/zinc/20/50/07/590205007.db2.gz QVPVEWBZPNVXPS-BDAKNGLRSA-N 2 0 213.325 0.086 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876509702 590202139 /nfs/dbraw/zinc/20/21/39/590202139.db2.gz MUYWEUUEUWMVQG-ZJUUUORDSA-N 2 0 231.315 0.050 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000876501511 590203190 /nfs/dbraw/zinc/20/31/90/590203190.db2.gz PPLJICPGNKCTTM-OPRDCNLKSA-N 2 0 225.336 0.310 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000876501410 590203333 /nfs/dbraw/zinc/20/33/33/590203333.db2.gz OMKAFFBGXUBFBS-VFTMLMQFSA-N 2 0 237.347 0.348 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000876502730 590203641 /nfs/dbraw/zinc/20/36/41/590203641.db2.gz LUGITGYRNOPKOK-IRSQKABVSA-N 2 0 237.347 0.266 20 0 BCADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)NC1CC[NH2+]CC1 ZINC000876502998 590203644 /nfs/dbraw/zinc/20/36/44/590203644.db2.gz VTPHBYKYRXTPBE-DLRQAJBASA-N 2 0 237.347 0.410 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000876503838 590203938 /nfs/dbraw/zinc/20/39/38/590203938.db2.gz FIKWWAPDPSEGSA-KXUCPTDWSA-N 2 0 225.336 0.180 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)C1 ZINC000876503717 590203979 /nfs/dbraw/zinc/20/39/79/590203979.db2.gz DGHQAQBECSIQHT-MJKAUQOVSA-N 2 0 223.320 0.102 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000876506008 590204487 /nfs/dbraw/zinc/20/44/87/590204487.db2.gz NIAKWXKKODMPSW-ZJUUUORDSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000876508867 590204838 /nfs/dbraw/zinc/20/48/38/590204838.db2.gz APWHNTAVOXWLBY-OPRDCNLKSA-N 2 0 213.325 0.452 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000876507710 590204860 /nfs/dbraw/zinc/20/48/60/590204860.db2.gz LMROLNDXDMLILL-LPEHRKFASA-N 2 0 225.336 0.228 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000876507978 590204885 /nfs/dbraw/zinc/20/48/85/590204885.db2.gz RBEUYYUQGPTIEP-GHMZBOCLSA-N 2 0 239.363 0.476 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000876507709 590205122 /nfs/dbraw/zinc/20/51/22/590205122.db2.gz LMROLNDXDMLILL-KXUCPTDWSA-N 2 0 225.336 0.228 20 0 BCADRP C[NH+](C)CC1(C(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000876513872 590205833 /nfs/dbraw/zinc/20/58/33/590205833.db2.gz JWCNLKBLBLGBRY-LLVKDONJSA-N 2 0 239.363 0.526 20 0 BCADRP C[C@H](C(=O)N1CCC[C@H](C[NH3+])C1)[NH+](C)C ZINC000876513624 590206024 /nfs/dbraw/zinc/20/60/24/590206024.db2.gz GOQITIXFANHACW-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH3+])C1(F)F ZINC000876515806 590206356 /nfs/dbraw/zinc/20/63/56/590206356.db2.gz XUNDDUCOLKMTKK-DJLDLDEBSA-N 2 0 247.289 0.166 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876515181 590206554 /nfs/dbraw/zinc/20/65/54/590206554.db2.gz MIRQFGOYVJDBJC-LOWVWBTDSA-N 2 0 237.347 0.339 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000876518254 590206924 /nfs/dbraw/zinc/20/69/24/590206924.db2.gz OIBCKDURFZOHJV-QIOFFNHISA-N 2 0 237.347 0.205 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000876518287 590206989 /nfs/dbraw/zinc/20/69/89/590206989.db2.gz OZRMEXCPCPARRQ-OPRDCNLKSA-N 2 0 225.336 0.167 20 0 BCADRP CC[NH2+]CCNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876521695 590207376 /nfs/dbraw/zinc/20/73/76/590207376.db2.gz UTVKJDASXWXNFV-ISALQUGTSA-N 2 0 225.336 0.268 20 0 BCADRP CC1(C)[C@H](C(=O)NCC[NH2+]C2CC2)C[C@@H]1[NH3+] ZINC000876521930 590207552 /nfs/dbraw/zinc/20/75/52/590207552.db2.gz BVXOCUHEJUAQLE-UWVGGRQHSA-N 2 0 225.336 0.228 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000876522573 590207717 /nfs/dbraw/zinc/20/77/17/590207717.db2.gz VYJVSZLSIYWDLD-WEVUVTRCSA-N 2 0 237.347 0.266 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876524894 590208479 /nfs/dbraw/zinc/20/84/79/590208479.db2.gz VSRYUUYGDWDSOE-MNOVXSKESA-N 2 0 245.342 0.438 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876529609 590209886 /nfs/dbraw/zinc/20/98/86/590209886.db2.gz MGHLUFQARPWMKW-GHMZBOCLSA-N 2 0 239.363 0.570 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876534304 590210617 /nfs/dbraw/zinc/21/06/17/590210617.db2.gz BEWBHIGRMHRHPD-BDAKNGLRSA-N 2 0 213.325 0.167 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876533182 590210723 /nfs/dbraw/zinc/21/07/23/590210723.db2.gz PJSHMNSPOJFINI-AXFHLTTASA-N 2 0 245.342 0.424 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876534241 590210775 /nfs/dbraw/zinc/21/07/75/590210775.db2.gz ASQVOZIOVLQUST-NTZNESFSSA-N 2 0 241.379 0.994 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000876537648 590211503 /nfs/dbraw/zinc/21/15/03/590211503.db2.gz XLVDBIJNOMWBPV-OPRDCNLKSA-N 2 0 225.336 0.213 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876538488 590211628 /nfs/dbraw/zinc/21/16/28/590211628.db2.gz ROJDEKZMHPSPJZ-YUMQZZPRSA-N 2 0 247.289 0.037 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)CC[NH2+]CC1CC1 ZINC000876540741 590212291 /nfs/dbraw/zinc/21/22/91/590212291.db2.gz NRNGNLQBAONVDA-UHFFFAOYSA-N 2 0 241.379 0.819 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876542645 590212654 /nfs/dbraw/zinc/21/26/54/590212654.db2.gz YOKBPXDWCSHBNV-ZJUUUORDSA-N 2 0 245.342 0.377 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876542226 590212859 /nfs/dbraw/zinc/21/28/59/590212859.db2.gz RRPWUQJNXXCGPF-XYPYZODXSA-N 2 0 241.379 0.947 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876543499 590212885 /nfs/dbraw/zinc/21/28/85/590212885.db2.gz LUKCSUUXAVRCEM-VGMNWLOBSA-N 2 0 249.305 0.460 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876710407 590232776 /nfs/dbraw/zinc/23/27/76/590232776.db2.gz KBKQEWDFMHJOHR-WDEREUQCSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876708154 590232821 /nfs/dbraw/zinc/23/28/21/590232821.db2.gz YHZSFKBGTLQKPK-UWVGGRQHSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876708156 590232920 /nfs/dbraw/zinc/23/29/20/590232920.db2.gz YHZSFKBGTLQKPK-ZJUUUORDSA-N 2 0 227.352 0.428 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCC[NH+](C)C ZINC000876707704 590233001 /nfs/dbraw/zinc/23/30/01/590233001.db2.gz PDRAKWLVAPUXHI-CZVUKNJHSA-N 2 0 239.363 0.466 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000876736511 590234036 /nfs/dbraw/zinc/23/40/36/590234036.db2.gz UYZMVAKQMGLOIV-HATMAXAFSA-N 2 0 239.363 0.464 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000876736514 590234286 /nfs/dbraw/zinc/23/42/86/590234286.db2.gz UYZMVAKQMGLOIV-WBIMAMMNSA-N 2 0 239.363 0.464 20 0 BCADRP Cn1ccnc1CNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876753429 590237768 /nfs/dbraw/zinc/23/77/68/590237768.db2.gz KUQCFMBVBLMNFB-DOGVGXBMSA-N 2 0 248.330 0.592 20 0 BCADRP C[C@@]1(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000876829341 590246852 /nfs/dbraw/zinc/24/68/52/590246852.db2.gz QRFABMDUWFTKOZ-FOGDFJRCSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000876830175 590247153 /nfs/dbraw/zinc/24/71/53/590247153.db2.gz CFOITGZQOHHSCP-NHCYSSNCSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000876831575 590247449 /nfs/dbraw/zinc/24/74/49/590247449.db2.gz HKAAWFWNKRBHID-UKKRHICBSA-N 2 0 243.326 0.143 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC[NH2+]1 ZINC000876835107 590247880 /nfs/dbraw/zinc/24/78/80/590247880.db2.gz SJFFTSPBTKHWFG-JBDRJPRFSA-N 2 0 247.289 0.083 20 0 BCADRP C[C@H]([NH3+])CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876836326 590247908 /nfs/dbraw/zinc/24/79/08/590247908.db2.gz UNNUDCBNODNONC-NDVXOHMPSA-N 2 0 211.309 0.006 20 0 BCADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876838703 590248186 /nfs/dbraw/zinc/24/81/86/590248186.db2.gz UVPLBLLOUULDKY-FWIQHPNGSA-N 2 0 249.358 0.220 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000876843738 590249033 /nfs/dbraw/zinc/24/90/33/590249033.db2.gz UGHYFLKVNKPULO-WCQYABFASA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)CCNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876848395 590249577 /nfs/dbraw/zinc/24/95/77/590249577.db2.gz RVTUXDPSNSXYIF-QRGHLMKCSA-N 2 0 225.336 0.220 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876854433 590249955 /nfs/dbraw/zinc/24/99/55/590249955.db2.gz GLLUIPZUCQERBD-VWYCJHECSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876860697 590250487 /nfs/dbraw/zinc/25/04/87/590250487.db2.gz HKJYSTOPLCNNPQ-GUDRVLHUSA-N 2 0 225.336 0.371 20 0 BCADRP CN(C(=O)[C@H]1C[C@H]([NH3+])C1(C)C)C1CC([NH3+])C1 ZINC000876862221 590250933 /nfs/dbraw/zinc/25/09/33/590250933.db2.gz KXNNJDSUFXMWIO-BMNUFHGDSA-N 2 0 225.336 0.308 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]([NH3+])CC ZINC000876864597 590250944 /nfs/dbraw/zinc/25/09/44/590250944.db2.gz UUNDQCSQRXPTLV-CFUADUHXSA-N 2 0 225.336 0.252 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000876863241 590251059 /nfs/dbraw/zinc/25/10/59/590251059.db2.gz BNCMJOLZLSRWCH-BIIVOSGPSA-N 2 0 249.305 0.459 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]([NH3+])CC ZINC000876864600 590251077 /nfs/dbraw/zinc/25/10/77/590251077.db2.gz UUNDQCSQRXPTLV-HFWDSFRRSA-N 2 0 225.336 0.252 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876865108 590251330 /nfs/dbraw/zinc/25/13/30/590251330.db2.gz ZRFUZKCBIRUWSX-XHNCKOQMSA-N 2 0 213.325 0.213 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876871958 590252016 /nfs/dbraw/zinc/25/20/16/590252016.db2.gz OUEGHHULJCJUTH-WOPDTQHZSA-N 2 0 239.363 0.570 20 0 BCADRP CC1(C)[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[C@@H]1[NH3+] ZINC000876871065 590252027 /nfs/dbraw/zinc/25/20/27/590252027.db2.gz PLAVMDYMJGUNJX-RCWTZXSCSA-N 2 0 237.347 0.180 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1c[nH]cn1 ZINC000876883017 590252678 /nfs/dbraw/zinc/25/26/78/590252678.db2.gz XUUNWTXYSVZSKF-ONKIFHLLSA-N 2 0 234.303 0.438 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000876884590 590253638 /nfs/dbraw/zinc/25/36/38/590253638.db2.gz FCQCXFAUAWRFCG-IJLUTSLNSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000876913664 590256356 /nfs/dbraw/zinc/25/63/56/590256356.db2.gz SPCXSLFSGHNPAO-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876915751 590256534 /nfs/dbraw/zinc/25/65/34/590256534.db2.gz ALYOJSFNYOWTRH-DCAQKATOSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876916417 590256659 /nfs/dbraw/zinc/25/66/59/590256659.db2.gz SGGKIAUETJFJOB-QCLAVDOMSA-N 2 0 225.336 0.308 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876916172 590256810 /nfs/dbraw/zinc/25/68/10/590256810.db2.gz MUJNXHBIIUBLNO-UTLUCORTSA-N 2 0 245.342 0.424 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876927822 590258112 /nfs/dbraw/zinc/25/81/12/590258112.db2.gz MZIQEVDXNXODDM-DTWKUNHWSA-N 2 0 231.315 0.178 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000876935897 590258956 /nfs/dbraw/zinc/25/89/56/590258956.db2.gz SOIYRGXEESVXOT-HRZYHFHTSA-N 2 0 239.363 0.640 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876938211 590258971 /nfs/dbraw/zinc/25/89/71/590258971.db2.gz VJXWTWFKQZEQAL-GHMZBOCLSA-N 2 0 245.342 0.569 20 0 BCADRP [NH3+]CCCCCCNC(=O)CCC1C[NH2+]C1 ZINC000876936725 590259061 /nfs/dbraw/zinc/25/90/61/590259061.db2.gz LMBWBDXQZJVCCW-UHFFFAOYSA-N 2 0 227.352 0.621 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876951765 590260469 /nfs/dbraw/zinc/26/04/69/590260469.db2.gz FWYUYOFQGVCIDB-JBDRJPRFSA-N 2 0 247.289 0.165 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876958107 590260694 /nfs/dbraw/zinc/26/06/94/590260694.db2.gz RSRIUWLHOMXTSD-MFKMUULPSA-N 2 0 239.363 0.714 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876957793 590261154 /nfs/dbraw/zinc/26/11/54/590261154.db2.gz GYOCNMAGORKMAL-DTWKUNHWSA-N 2 0 231.315 0.130 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CCCC1 ZINC000876964926 590261839 /nfs/dbraw/zinc/26/18/39/590261839.db2.gz VRJPKOFHXBYTJU-NXEZZACHSA-N 2 0 243.326 0.322 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CCCC1 ZINC000876964928 590262113 /nfs/dbraw/zinc/26/21/13/590262113.db2.gz VRJPKOFHXBYTJU-VHSXEESVSA-N 2 0 243.326 0.322 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000876969769 590262653 /nfs/dbraw/zinc/26/26/53/590262653.db2.gz ZHYDBAVWYHGAAK-CABQIACGSA-N 2 0 237.347 0.310 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876977831 590263954 /nfs/dbraw/zinc/26/39/54/590263954.db2.gz GTAVKBQNFAFFFD-YIZRAAEISA-N 2 0 213.325 0.084 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876977830 590263986 /nfs/dbraw/zinc/26/39/86/590263986.db2.gz GTAVKBQNFAFFFD-XHNCKOQMSA-N 2 0 213.325 0.084 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000876997862 590266809 /nfs/dbraw/zinc/26/68/09/590266809.db2.gz JAFIUIYLFMGIRC-VXGBXAGGSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000876997861 590266974 /nfs/dbraw/zinc/26/69/74/590266974.db2.gz JAFIUIYLFMGIRC-RYUDHWBXSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@H](C)[NH2+]C1CC1 ZINC000876998720 590267304 /nfs/dbraw/zinc/26/73/04/590267304.db2.gz QGYVVQRLSYWTCX-CMPLNLGQSA-N 2 0 239.363 0.583 20 0 BCADRP [NH3+][C@@H](CC(=O)N[C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000877006283 590268220 /nfs/dbraw/zinc/26/82/20/590268220.db2.gz ZHMUPSYOLSPCAR-QWRGUYRKSA-N 2 0 237.347 0.515 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000877021255 590270117 /nfs/dbraw/zinc/27/01/17/590270117.db2.gz DCDOYVPKSSAAKQ-INTQDDNPSA-N 2 0 225.336 0.384 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877094665 590281401 /nfs/dbraw/zinc/28/14/01/590281401.db2.gz BBYIABGSDJPTIW-BDAKNGLRSA-N 2 0 201.314 0.165 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000877095406 590281710 /nfs/dbraw/zinc/28/17/10/590281710.db2.gz LUPPPMXUXATTJB-GWCFXTLKSA-N 2 0 247.342 0.679 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000877095359 590281742 /nfs/dbraw/zinc/28/17/42/590281742.db2.gz KWTKTUNZPIHDIS-KOLCDFICSA-N 2 0 221.304 0.492 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)CC1CC[NH2+]CC1 ZINC000877095924 590281770 /nfs/dbraw/zinc/28/17/70/590281770.db2.gz UZPGBWDGBQNQFT-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H](CC(=O)N(C)C[C@H](C)[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000877095762 590281794 /nfs/dbraw/zinc/28/17/94/590281794.db2.gz QJQYEIVGOAKUIA-GRYCIOLGSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877095609 590282123 /nfs/dbraw/zinc/28/21/23/590282123.db2.gz MZNWVVVTUBATTQ-GXFFZTMASA-N 2 0 247.342 0.507 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N(C)C[C@H](C)[NH3+])cc1 ZINC000877103306 590283928 /nfs/dbraw/zinc/28/39/28/590283928.db2.gz TWJRDJAYFQFCQN-JQWIXIFHSA-N 2 0 235.331 0.800 20 0 BCADRP CC[C@H](C(=O)N(C)C[C@H](C)[NH3+])[NH+](C)C ZINC000877104352 590284256 /nfs/dbraw/zinc/28/42/56/590284256.db2.gz ANAXTRLUOFWACT-DTWKUNHWSA-N 2 0 201.314 0.132 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000877104818 590284465 /nfs/dbraw/zinc/28/44/65/590284465.db2.gz KEBTZDJKBUUXFH-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000877105875 590285039 /nfs/dbraw/zinc/28/50/39/590285039.db2.gz STXJUFPOQYZCHZ-GUBZILKMSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH3+])[C@@H](C)[NH3+] ZINC000877106278 590285281 /nfs/dbraw/zinc/28/52/81/590285281.db2.gz WOBXZRNXADXMGE-IVZWLZJFSA-N 2 0 215.341 0.411 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC000877107565 590285942 /nfs/dbraw/zinc/28/59/42/590285942.db2.gz IYNYACDIAGHTFA-VIFPVBQESA-N 2 0 213.325 0.134 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N(C)C[C@H](C)[NH3+] ZINC000877107471 590285982 /nfs/dbraw/zinc/28/59/82/590285982.db2.gz GKSDCSIACRDWDP-QMMMGPOBSA-N 2 0 225.292 0.466 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000877108014 590286538 /nfs/dbraw/zinc/28/65/38/590286538.db2.gz NYJCNWKRTQBOSP-XHNCKOQMSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000877109297 590286968 /nfs/dbraw/zinc/28/69/68/590286968.db2.gz FPUDTSXZPRVSGN-MRPUBWEVSA-N 2 0 237.347 0.409 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000877112280 590287161 /nfs/dbraw/zinc/28/71/61/590287161.db2.gz SWERUNIIKUPXJS-BLTPPWRGSA-N 2 0 237.347 0.265 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CCCCCC[NH3+] ZINC000877111523 590287273 /nfs/dbraw/zinc/28/72/73/590287273.db2.gz JQUVJOZFHZOHLZ-WDEREUQCSA-N 2 0 227.352 0.762 20 0 BCADRP [NH3+][C@@H](CC(=O)N1CCCCC[C@H]([NH3+])C1)C1CC1 ZINC000877126936 590289955 /nfs/dbraw/zinc/28/99/55/590289955.db2.gz WQETWCMYRYSDJZ-RYUDHWBXSA-N 2 0 239.363 0.844 20 0 BCADRP [NH3+]CCC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877134391 590290911 /nfs/dbraw/zinc/29/09/11/590290911.db2.gz RGMQUYLXDMUQPB-WDEREUQCSA-N 2 0 219.288 0.789 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877151762 590293000 /nfs/dbraw/zinc/29/30/00/590293000.db2.gz QZNQGJPZVVKJLC-WDEREUQCSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877153728 590293250 /nfs/dbraw/zinc/29/32/50/590293250.db2.gz YFQZXVZTBVBYFR-NXEZZACHSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877153734 590293330 /nfs/dbraw/zinc/29/33/30/590293330.db2.gz YFQZXVZTBVBYFR-VHSXEESVSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877157285 590294023 /nfs/dbraw/zinc/29/40/23/590294023.db2.gz BYSNISYRGVLSMA-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP CC1(C)CC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)[NH2+]C1 ZINC000877158652 590294045 /nfs/dbraw/zinc/29/40/45/590294045.db2.gz WNYSCEDQVXCKES-QWRGUYRKSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000877168301 590295353 /nfs/dbraw/zinc/29/53/53/590295353.db2.gz JEPWSFKKXFZUNH-VLEAKVRGSA-N 2 0 223.320 0.077 20 0 BCADRP O=C(N1C[C@@H]2C[C@H]1C[NH2+]2)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877168349 590295411 /nfs/dbraw/zinc/29/54/11/590295411.db2.gz KNISOAITGVZACG-KQXIARHKSA-N 2 0 235.331 0.091 20 0 BCADRP [NH3+]CCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877168904 590295798 /nfs/dbraw/zinc/29/57/98/590295798.db2.gz XYBHBSFEYLBKAA-TXEJJXNPSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000877172297 590296183 /nfs/dbraw/zinc/29/61/83/590296183.db2.gz QBFRYALILAKPAR-INHAFSAOSA-N 2 0 237.347 0.490 20 0 BCADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877171576 590296371 /nfs/dbraw/zinc/29/63/71/590296371.db2.gz BJMUQYKQHRDOLW-IJZXVPSFSA-N 2 0 249.358 0.505 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000877174944 590296731 /nfs/dbraw/zinc/29/67/31/590296731.db2.gz HZIAJIICTYCZKQ-DCAQKATOSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000877176238 590297116 /nfs/dbraw/zinc/29/71/16/590297116.db2.gz NOYNCVUGURSGGP-VGMNWLOBSA-N 2 0 211.309 0.075 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877185407 590298375 /nfs/dbraw/zinc/29/83/75/590298375.db2.gz MIYUIEXWOXKKIJ-FKTRJACZSA-N 2 0 211.309 0.206 20 0 BCADRP C[C@@H](C(=O)N1C2CCC1(C[NH3+])CC2)[C@H](C)[NH3+] ZINC000877187902 590298675 /nfs/dbraw/zinc/29/86/75/590298675.db2.gz LSNLSEWUWIRJKK-GHHKWEBWSA-N 2 0 225.336 0.452 20 0 BCADRP CC(C)([NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877192318 590298886 /nfs/dbraw/zinc/29/88/86/590298886.db2.gz LMCSAYRVZMMEBC-UHFFFAOYSA-N 2 0 211.309 0.206 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877188113 590298954 /nfs/dbraw/zinc/29/89/54/590298954.db2.gz PGZMSXVTXPJWCP-UHFFFAOYSA-N 2 0 239.363 0.811 20 0 BCADRP CC[C@]1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000877243086 590302512 /nfs/dbraw/zinc/30/25/12/590302512.db2.gz MHCMZHMDJGCGFD-JFGNBEQYSA-N 2 0 225.336 0.372 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000877243386 590302726 /nfs/dbraw/zinc/30/27/26/590302726.db2.gz PWYSMAAQUNJKQT-KGYLQXTDSA-N 2 0 247.342 0.848 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877244679 590303052 /nfs/dbraw/zinc/30/30/52/590303052.db2.gz JUTYRXDKZXZFFB-HRDYMLBCSA-N 2 0 213.325 0.213 20 0 BCADRP C[N@H+](CC(=O)NC[C@H]1C[C@H]([NH3+])C1)CC(C)(C)C ZINC000877244749 590303152 /nfs/dbraw/zinc/30/31/52/590303152.db2.gz NAROLZDEMLJIKS-XYPYZODXSA-N 2 0 241.379 0.818 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC[C@@H]21 ZINC000877248873 590303601 /nfs/dbraw/zinc/30/36/01/590303601.db2.gz FZRQFUUYMUCGKB-BNDIWNMDSA-N 2 0 249.358 0.004 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH3+])CC3)CC[C@@H]21 ZINC000877250926 590303720 /nfs/dbraw/zinc/30/37/20/590303720.db2.gz UISCTNDRLRNODL-ZJUUUORDSA-N 2 0 223.320 0.030 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3=CC[C@H]([NH3+])C3)CC[C@@H]21 ZINC000877249100 590303847 /nfs/dbraw/zinc/30/38/47/590303847.db2.gz HSRHTRMECMLYCI-AGIUHOORSA-N 2 0 249.358 0.587 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)C3([NH3+])CC3)CC[C@H]21 ZINC000877250925 590303920 /nfs/dbraw/zinc/30/39/20/590303920.db2.gz UISCTNDRLRNODL-VHSXEESVSA-N 2 0 223.320 0.030 20 0 BCADRP C[C@@H](NC(=O)C1([NH3+])CCCC1)C1CC[NH2+]CC1 ZINC000877253139 590304059 /nfs/dbraw/zinc/30/40/59/590304059.db2.gz LFYMGMRLPBGSDS-SNVBAGLBSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000877255722 590304302 /nfs/dbraw/zinc/30/43/02/590304302.db2.gz ZNCLIQMFOZIKHZ-INTQDDNPSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H](NC(=O)C1=CC[C@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000877254290 590304343 /nfs/dbraw/zinc/30/43/43/590304343.db2.gz RECFOPDBLJMXIL-SKDRFNHKSA-N 2 0 237.347 0.538 20 0 BCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C[NH3+])C1 ZINC000877259250 590304476 /nfs/dbraw/zinc/30/44/76/590304476.db2.gz BSYXFLCWHUNZSS-NSHDSACASA-N 2 0 213.325 0.169 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877274643 590305312 /nfs/dbraw/zinc/30/53/12/590305312.db2.gz MCTFRNPCSXBXLP-QWRGUYRKSA-N 2 0 225.336 0.337 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)[NH+](C)C ZINC000877274878 590305427 /nfs/dbraw/zinc/30/54/27/590305427.db2.gz YJFPZGDBBBMISM-TUAOUCFPSA-N 2 0 239.363 0.680 20 0 BCADRP [NH3+]CC1(CC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000877275191 590305802 /nfs/dbraw/zinc/30/58/02/590305802.db2.gz QAXQBLBQTZZZRZ-MNOVXSKESA-N 2 0 237.347 0.468 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877285354 590307080 /nfs/dbraw/zinc/30/70/80/590307080.db2.gz ZXCGXNPMDVYVDG-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877289043 590307109 /nfs/dbraw/zinc/30/71/09/590307109.db2.gz RROFXCLIQDVBFE-MNOVXSKESA-N 2 0 239.363 0.857 20 0 BCADRP [NH3+]C1(CC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CCC1 ZINC000877287251 590307458 /nfs/dbraw/zinc/30/74/58/590307458.db2.gz JRDVWAMVPOWMAM-GHMZBOCLSA-N 2 0 237.347 0.611 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877290088 590307568 /nfs/dbraw/zinc/30/75/68/590307568.db2.gz YHLYRXBSZRWHNK-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000877293350 590307861 /nfs/dbraw/zinc/30/78/61/590307861.db2.gz MLBNZFOABGEQJJ-DBIOUOCHSA-N 2 0 239.363 0.746 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877347603 590318623 /nfs/dbraw/zinc/31/86/23/590318623.db2.gz LHNRGNNFTMCEHN-CABZTGNLSA-N 2 0 233.315 0.164 20 0 BCADRP [NH3+]CCC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877346836 590319193 /nfs/dbraw/zinc/31/91/93/590319193.db2.gz IQUOIMPDROZBGX-GFCCVEGCSA-N 2 0 233.315 0.166 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877347708 590319247 /nfs/dbraw/zinc/31/92/47/590319247.db2.gz ONZOMFGILSORGY-STQMWFEESA-N 2 0 247.342 0.554 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877374302 590319572 /nfs/dbraw/zinc/31/95/72/590319572.db2.gz FAAOKFABCKPQGJ-MPPDQPJWSA-N 2 0 237.347 0.052 20 0 BCADRP CC[C@H](C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2)[NH+](C)C ZINC000877385546 590320393 /nfs/dbraw/zinc/32/03/93/590320393.db2.gz LKKPMCXKCLWWSR-MDZLAQPJSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877386710 590320562 /nfs/dbraw/zinc/32/05/62/590320562.db2.gz SOOOINPCHORRCZ-IQJOONFLSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877386709 590320682 /nfs/dbraw/zinc/32/06/82/590320682.db2.gz SOOOINPCHORRCZ-FXPVBKGRSA-N 2 0 211.309 0.125 20 0 BCADRP [NH3+][C@H](CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2)C1CC1 ZINC000877390662 590322171 /nfs/dbraw/zinc/32/21/71/590322171.db2.gz KWUNLGCEOWGRFR-MDZLAQPJSA-N 2 0 237.347 0.515 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877393149 590322520 /nfs/dbraw/zinc/32/25/20/590322520.db2.gz WDASVUHAHSVEIA-BREBYQMCSA-N 2 0 237.347 0.385 20 0 BCADRP O=C(C[NH2+]CC1CC1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877399228 590322910 /nfs/dbraw/zinc/32/29/10/590322910.db2.gz KVDDSPJAFMKYEO-AAEUAGOBSA-N 2 0 237.347 0.387 20 0 BCADRP C[NH2+]CCCC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877400925 590323793 /nfs/dbraw/zinc/32/37/93/590323793.db2.gz YJPAFSSSBLNDSH-JQWIXIFHSA-N 2 0 225.336 0.387 20 0 BCADRP C[NH2+]CCCC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877400926 590324260 /nfs/dbraw/zinc/32/42/60/590324260.db2.gz YJPAFSSSBLNDSH-PWSUYJOCSA-N 2 0 225.336 0.387 20 0 BCADRP CO[C@H](C[NH3+])CC(=O)N(C)CCCCCC[NH3+] ZINC000877438809 590327723 /nfs/dbraw/zinc/32/77/23/590327723.db2.gz WOSJGEMYLWBRHR-NSHDSACASA-N 2 0 245.367 0.328 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)CCCCCC[NH3+] ZINC000877437971 590327982 /nfs/dbraw/zinc/32/79/82/590327982.db2.gz FKDPVALKLNAZTM-GHMZBOCLSA-N 2 0 229.368 0.947 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000877450964 590329000 /nfs/dbraw/zinc/32/90/00/590329000.db2.gz IVCFKYXEWYGITQ-NAWOPXAZSA-N 2 0 249.358 0.432 20 0 BCADRP C[NH+]1CCC2(CC[N@H+](CC[S@](C)=O)C2)CC1 ZINC000878863755 590634166 /nfs/dbraw/zinc/63/41/66/590634166.db2.gz DZGRMJSPJBUBKD-INIZCTEOSA-N 2 0 244.404 0.783 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580009 590817818 /nfs/dbraw/zinc/81/78/18/590817818.db2.gz DCFGUYSDARTESU-QJPTWQEYSA-N 2 0 244.404 0.736 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN(C)C1(COC)CCC1 ZINC000880185175 590952315 /nfs/dbraw/zinc/95/23/15/590952315.db2.gz HTAKNWJKNWEQQG-LBPRGKRZSA-N 2 0 244.379 0.800 20 0 BCADRP C[C@@H]1CC[C@H](CO)[N@@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000880443328 591044621 /nfs/dbraw/zinc/04/46/21/591044621.db2.gz GTBVHZBMFOGRNT-RTXFEEFZSA-N 2 0 242.363 0.287 20 0 BCADRP CC1(C)[C@H](O)C[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000129525567 591321014 /nfs/dbraw/zinc/32/10/14/591321014.db2.gz OGYNTEAUROGXTG-SDDRHHMPSA-N 2 0 242.363 0.192 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@H]1CC[N@@H+]1CC ZINC000882485465 591361194 /nfs/dbraw/zinc/36/11/94/591361194.db2.gz SSDAHKQAHRPZKZ-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP CC[N@H+](CC(=O)NC[C@@H]1CC[NH+]1CC)C1CC1 ZINC000882489809 591366295 /nfs/dbraw/zinc/36/62/95/591366295.db2.gz UYZILXDWCVNXOX-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH+]1CCC(NC(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000129766560 591401100 /nfs/dbraw/zinc/40/11/00/591401100.db2.gz HIQBOFJOINKDTQ-NSHDSACASA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000129840545 591412377 /nfs/dbraw/zinc/41/23/77/591412377.db2.gz JEHUAPHHNACEAD-GXSJLCMTSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000129840741 591413079 /nfs/dbraw/zinc/41/30/79/591413079.db2.gz JEHUAPHHNACEAD-MWLCHTKSSA-N 2 0 227.352 0.570 20 0 BCADRP CC1(C)C[NH2+]CCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883417895 591651555 /nfs/dbraw/zinc/65/15/55/591651555.db2.gz QPEXYEVLUJAILB-UWVGGRQHSA-N 2 0 215.316 0.370 20 0 BCADRP [NH3+]C1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883415293 591652157 /nfs/dbraw/zinc/65/21/57/591652157.db2.gz ROTBJGLIPQCWOX-WPRPVWTQSA-N 2 0 201.289 0.110 20 0 BCADRP C[C@H]([NH3+])C1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883417383 591652533 /nfs/dbraw/zinc/65/25/33/591652533.db2.gz YMFBHOHOJPOBFR-DLOVCJGASA-N 2 0 229.343 0.746 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883416091 591652637 /nfs/dbraw/zinc/65/26/37/591652637.db2.gz LUPSZZMIPJTFAV-DCAQKATOSA-N 2 0 215.316 0.357 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000883424522 591658688 /nfs/dbraw/zinc/65/86/88/591658688.db2.gz VMDKIMHNSDFGQS-NHCYSSNCSA-N 2 0 227.327 0.513 20 0 BCADRP CN(C[C@@H]1C[C@H](F)C[NH2+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000883424173 591658746 /nfs/dbraw/zinc/65/87/46/591658746.db2.gz JDCOIAFGNHVBOO-GCFWVWJCSA-N 2 0 241.354 0.901 20 0 BCADRP C[C@H]1[NH2+]CCN(C[C@@H]2C[C@H](F)C[NH2+]2)[C@H]1C ZINC000883427561 591660820 /nfs/dbraw/zinc/66/08/20/591660820.db2.gz VRQLWEQOYYGNDO-RCWTZXSCSA-N 2 0 215.316 0.369 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883429958 591661623 /nfs/dbraw/zinc/66/16/23/591661623.db2.gz KCIUWJAPDXKLHO-XKNYDFJKSA-N 2 0 201.289 0.108 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883435129 591664215 /nfs/dbraw/zinc/66/42/15/591664215.db2.gz LDOCXUDAJGABOP-RCWTZXSCSA-N 2 0 215.316 0.498 20 0 BCADRP c1n[nH]cc1CCN1CC[C@]2(CCC[NH2+]2)C1 ZINC000883433454 591664595 /nfs/dbraw/zinc/66/45/95/591664595.db2.gz QHRACDBDFFMJRZ-GFCCVEGCSA-N 2 0 220.320 0.780 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883438011 591666733 /nfs/dbraw/zinc/66/67/33/591666733.db2.gz HZGZNWBIAGRXNR-KATARQTJSA-N 2 0 201.289 0.108 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883437723 591666796 /nfs/dbraw/zinc/66/67/96/591666796.db2.gz ZGODJLJRQDQOCI-SDDRHHMPSA-N 2 0 229.343 0.616 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](CF)C1 ZINC000883447052 591670391 /nfs/dbraw/zinc/67/03/91/591670391.db2.gz RNTZUQUGSMQYEO-GHMZBOCLSA-N 2 0 218.316 0.638 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CC[NH2+]CCC12CCC2 ZINC000883456823 591672161 /nfs/dbraw/zinc/67/21/61/591672161.db2.gz KONKUDGDCIHPCY-LBPRGKRZSA-N 2 0 223.364 0.814 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000131860209 591672956 /nfs/dbraw/zinc/67/29/56/591672956.db2.gz XVXNZRRLRBIHKC-KXUCPTDWSA-N 2 0 213.325 0.179 20 0 BCADRP CO[C@@H]1COCC[C@H]1[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000883461161 591673711 /nfs/dbraw/zinc/67/37/11/591673711.db2.gz OWCPSWAALDXYTK-YNEHKIRRSA-N 2 0 242.363 0.722 20 0 BCADRP CO[C@@H]1COCC[C@@H]1[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000883461027 591674645 /nfs/dbraw/zinc/67/46/45/591674645.db2.gz MKYYDODJZWPLHJ-GRYCIOLGSA-N 2 0 228.336 0.332 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H](C)[NH+](C)C ZINC000883679278 591717482 /nfs/dbraw/zinc/71/74/82/591717482.db2.gz FNYVQTLQAGBJFE-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000132968254 591751588 /nfs/dbraw/zinc/75/15/88/591751588.db2.gz SIHOOBDCXLALAL-KXUCPTDWSA-N 2 0 213.325 0.323 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N1CCC([NH3+])CC1 ZINC000884005081 591793003 /nfs/dbraw/zinc/79/30/03/591793003.db2.gz SXKRBTYEOQQCKN-JTQLQIEISA-N 2 0 211.309 0.064 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC1CC[NH2+]CC1 ZINC000884005894 591794303 /nfs/dbraw/zinc/79/43/03/591794303.db2.gz YUXOHQZQFBFPNQ-LLVKDONJSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000884009060 591796492 /nfs/dbraw/zinc/79/64/92/591796492.db2.gz KFIFERKCLQAQRB-ZJUUUORDSA-N 2 0 227.352 0.556 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000884011772 591797831 /nfs/dbraw/zinc/79/78/31/591797831.db2.gz OZWANGWSPLSJCK-QWRGUYRKSA-N 2 0 227.352 0.489 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCC(C[NH3+])CC1 ZINC000884011794 591797844 /nfs/dbraw/zinc/79/78/44/591797844.db2.gz PWSXPCSPQYGAHI-LBPRGKRZSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884011771 591797890 /nfs/dbraw/zinc/79/78/90/591797890.db2.gz OZWANGWSPLSJCK-MNOVXSKESA-N 2 0 227.352 0.489 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000884017641 591800012 /nfs/dbraw/zinc/80/00/12/591800012.db2.gz BJXSRQAASDNGMW-QWRGUYRKSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884018107 591800510 /nfs/dbraw/zinc/80/05/10/591800510.db2.gz NHFCKQFZJYFJMV-ZJUUUORDSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884018105 591800799 /nfs/dbraw/zinc/80/07/99/591800799.db2.gz NHFCKQFZJYFJMV-UWVGGRQHSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)[C@H]1CCC[NH2+]C1 ZINC000884019408 591801152 /nfs/dbraw/zinc/80/11/52/591801152.db2.gz SLEWWYWVIGUMLP-DLOVCJGASA-N 2 0 239.363 0.618 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000884020694 591801498 /nfs/dbraw/zinc/80/14/98/591801498.db2.gz GYYBKGHDMMFZPW-GHMZBOCLSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)C[C@H](C)[NH2+]1 ZINC000884030665 591813671 /nfs/dbraw/zinc/81/36/71/591813671.db2.gz VBLHRQNMGDFBPT-NGZCFLSTSA-N 2 0 225.336 0.323 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000884031622 591814895 /nfs/dbraw/zinc/81/48/95/591814895.db2.gz VVGWNGXYGJKTBK-AAEUAGOBSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC2(C)C)CC[NH2+]1 ZINC000884031737 591814902 /nfs/dbraw/zinc/81/49/02/591814902.db2.gz YTWRSZJWAQPPAP-NXEZZACHSA-N 2 0 225.336 0.052 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884031812 591815560 /nfs/dbraw/zinc/81/55/60/591815560.db2.gz ZZWWZYMVOGHFMV-JTQLQIEISA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884033688 591816279 /nfs/dbraw/zinc/81/62/79/591816279.db2.gz REIJDBFSHBIJOP-MVWJERBFSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884035822 591817187 /nfs/dbraw/zinc/81/71/87/591817187.db2.gz IVHQHXBTIPEGAQ-GXFFZTMASA-N 2 0 241.379 0.722 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884036386 591817505 /nfs/dbraw/zinc/81/75/05/591817505.db2.gz UNDYRIONHDNZEX-PWSUYJOCSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC(C)(C)[NH3+] ZINC000884038347 591819607 /nfs/dbraw/zinc/81/96/07/591819607.db2.gz FFNRXDCHFOYIME-VIFPVBQESA-N 2 0 229.368 0.849 20 0 BCADRP CN(C(=O)[C@H]([NH3+])CC1CC1)C1CCC([NH3+])CC1 ZINC000884040918 591823038 /nfs/dbraw/zinc/82/30/38/591823038.db2.gz HFZKKRLIUBYEPH-HTAVTVPLSA-N 2 0 239.363 0.842 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H](C)CC[NH3+] ZINC000884245430 591882463 /nfs/dbraw/zinc/88/24/63/591882463.db2.gz VXCJOOJWIJLCEW-UWVGGRQHSA-N 2 0 229.368 0.849 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000884198417 591871945 /nfs/dbraw/zinc/87/19/45/591871945.db2.gz WDPGFNZDJGJLSV-NEPJUHHUSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000884238365 591877701 /nfs/dbraw/zinc/87/77/01/591877701.db2.gz ZYJCJXHLFYQPNM-VXGBXAGGSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)NCC1([NH3+])CCC1 ZINC000884247471 591882849 /nfs/dbraw/zinc/88/28/49/591882849.db2.gz VXDHECODSUOYRI-VIFPVBQESA-N 2 0 211.309 0.111 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC000884267238 591888079 /nfs/dbraw/zinc/88/80/79/591888079.db2.gz YEOAVQZQFKUVRS-JTQLQIEISA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)CC[NH2+]1 ZINC000884272814 591889688 /nfs/dbraw/zinc/88/96/88/591889688.db2.gz DGRDFWXMNKOLQS-VWYCJHECSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)[C@H]1C ZINC000884271746 591890080 /nfs/dbraw/zinc/89/00/80/591890080.db2.gz JXOPJEQKLKFCGY-GARJFASQSA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000884288869 591895080 /nfs/dbraw/zinc/89/50/80/591895080.db2.gz OURKGSDKOZMOMG-DCAQKATOSA-N 2 0 241.379 0.944 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000884292080 591895871 /nfs/dbraw/zinc/89/58/71/591895871.db2.gz PXZKDNQEJDCION-QWRGUYRKSA-N 2 0 237.347 0.372 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884292231 591896026 /nfs/dbraw/zinc/89/60/26/591896026.db2.gz UCBIERMLFRFETM-KOLCDFICSA-N 2 0 227.352 0.748 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884297325 591896854 /nfs/dbraw/zinc/89/68/54/591896854.db2.gz OSTFJPRBXDBGAP-ZJUUUORDSA-N 2 0 229.368 0.849 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000884299653 591898486 /nfs/dbraw/zinc/89/84/86/591898486.db2.gz ZWDJYHNYLXWOPD-IUCAKERBSA-N 2 0 247.289 0.227 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000884304294 591899734 /nfs/dbraw/zinc/89/97/34/591899734.db2.gz LTDSXWQMGASBGJ-WOPDTQHZSA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884338820 591904166 /nfs/dbraw/zinc/90/41/66/591904166.db2.gz TVIOBLNFMCXEIQ-NXEZZACHSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC2CC2)C[C@H]1C[NH3+] ZINC000884341335 591906976 /nfs/dbraw/zinc/90/69/76/591906976.db2.gz WSAFQPHEDXRSFV-YUSALJHKSA-N 2 0 239.363 0.557 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884346866 591908563 /nfs/dbraw/zinc/90/85/63/591908563.db2.gz CKZLVWUPPFCSMU-SECBINFHSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884347766 591908802 /nfs/dbraw/zinc/90/88/02/591908802.db2.gz FMEIZLWFRXJNRP-BDAKNGLRSA-N 2 0 227.352 0.746 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884347768 591909200 /nfs/dbraw/zinc/90/92/00/591909200.db2.gz FMEIZLWFRXJNRP-IUCAKERBSA-N 2 0 227.352 0.746 20 0 BCADRP CC1(C)[C@H](NC(=O)C2([NH3+])CCCCC2)C[C@@H]1[NH3+] ZINC000884348281 591909597 /nfs/dbraw/zinc/90/95/97/591909597.db2.gz SSJIFGQNSMUMDB-VHSXEESVSA-N 2 0 239.363 0.890 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000884348280 591909581 /nfs/dbraw/zinc/90/95/81/591909581.db2.gz SSJIFGQNSMUMDB-UWVGGRQHSA-N 2 0 239.363 0.890 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1ccc(C[NH3+])o1 ZINC000884348342 591909922 /nfs/dbraw/zinc/90/99/22/591909922.db2.gz WKJOOTSXBXPSNK-NXEZZACHSA-N 2 0 237.303 0.594 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000884348101 591909978 /nfs/dbraw/zinc/90/99/78/591909978.db2.gz NZIBPZJCCCQLFK-PTRXPTGYSA-N 2 0 225.336 0.228 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]([NH3+])CC(F)F ZINC000884357917 591912350 /nfs/dbraw/zinc/91/23/50/591912350.db2.gz IMIPCDRUWXDAMW-FSDSQADBSA-N 2 0 235.278 0.211 20 0 BCADRP CC1(C)[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C[C@@H]1[NH3+] ZINC000884358541 591912596 /nfs/dbraw/zinc/91/25/96/591912596.db2.gz RWUZRWFVHJNKBL-GARJFASQSA-N 2 0 239.363 0.761 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000884358047 591912835 /nfs/dbraw/zinc/91/28/35/591912835.db2.gz KUXIFVXOYPLYEP-GMTAPVOTSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884358760 591913066 /nfs/dbraw/zinc/91/30/66/591913066.db2.gz XOLXHRSONUOCBH-NXEZZACHSA-N 2 0 227.352 0.569 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000884358323 591913103 /nfs/dbraw/zinc/91/31/03/591913103.db2.gz OTTZHTLCUAATMF-BBBLOLIVSA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884359994 591913774 /nfs/dbraw/zinc/91/37/74/591913774.db2.gz SAQSACKCLRDYRL-NAKRPEOUSA-N 2 0 239.363 0.617 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C)[C@H](C)[NH3+] ZINC000884361603 591914426 /nfs/dbraw/zinc/91/44/26/591914426.db2.gz VRGJFTWJGXHESJ-ZDCRXTMVSA-N 2 0 241.379 0.848 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C)[C@@H](C)[NH3+] ZINC000884361600 591914557 /nfs/dbraw/zinc/91/45/57/591914557.db2.gz VRGJFTWJGXHESJ-DBIOUOCHSA-N 2 0 241.379 0.848 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]([NH3+])C1CCC1 ZINC000884361432 591914693 /nfs/dbraw/zinc/91/46/93/591914693.db2.gz SHKJQTKVSLFLNA-KXUCPTDWSA-N 2 0 225.336 0.356 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000884361556 591914790 /nfs/dbraw/zinc/91/47/90/591914790.db2.gz VAMREUZYMQIANA-LMLFDSFASA-N 2 0 239.363 0.617 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884362692 591915437 /nfs/dbraw/zinc/91/54/37/591915437.db2.gz POQGAJCJBBBHDN-CIUDSAMLSA-N 2 0 213.325 0.226 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884362695 591915615 /nfs/dbraw/zinc/91/56/15/591915615.db2.gz POQGAJCJBBBHDN-YIZRAAEISA-N 2 0 213.325 0.226 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CC1([NH3+])CC1 ZINC000884363078 591915998 /nfs/dbraw/zinc/91/59/98/591915998.db2.gz XBMFBOYWFFXMIG-SFYZADRCSA-N 2 0 211.309 0.110 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C)[NH+](C)C ZINC000884364635 591916758 /nfs/dbraw/zinc/91/67/58/591916758.db2.gz UVMJXGRZOVAIQN-KXUCPTDWSA-N 2 0 227.352 0.569 20 0 BCADRP C[C@H](C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C)[NH+](C)C ZINC000884365601 591917148 /nfs/dbraw/zinc/91/71/48/591917148.db2.gz LKKVIHOECJZKDI-HLTSFMKQSA-N 2 0 213.325 0.179 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884365641 591917507 /nfs/dbraw/zinc/91/75/07/591917507.db2.gz MEZJHRBVXZBFPN-JLIMGVALSA-N 2 0 239.363 0.602 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884365699 591917602 /nfs/dbraw/zinc/91/76/02/591917602.db2.gz NBPLGKVJSYJSON-HBNTYKKESA-N 2 0 241.379 0.863 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000884365796 591917612 /nfs/dbraw/zinc/91/76/12/591917612.db2.gz OSCBRAKVAMIYTP-ZJUUUORDSA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)NCC1([NH3+])CCCC1 ZINC000884403842 591925285 /nfs/dbraw/zinc/92/52/85/591925285.db2.gz SUYKEDAZHJJVIC-SNVBAGLBSA-N 2 0 225.336 0.502 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000884418442 591929167 /nfs/dbraw/zinc/92/91/67/591929167.db2.gz JPKGCHQRDHSVAA-MXWKQRLJSA-N 2 0 245.342 0.518 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884420636 591930016 /nfs/dbraw/zinc/93/00/16/591930016.db2.gz ZAJKUHFYQPNZRB-ZJUUUORDSA-N 2 0 229.368 0.720 20 0 BCADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](C[NH3+])OC ZINC000884424845 591930479 /nfs/dbraw/zinc/93/04/79/591930479.db2.gz MBRSNQLQCADSFD-JTQLQIEISA-N 2 0 245.367 0.197 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](CC(C)C)[NH2+]C ZINC000884434843 591933470 /nfs/dbraw/zinc/93/34/70/591933470.db2.gz ZOXYRARQBHOMHH-TUAOUCFPSA-N 2 0 241.379 0.877 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@H]([NH3+])CC2CC2)C[NH2+]1 ZINC000884437835 591934506 /nfs/dbraw/zinc/93/45/06/591934506.db2.gz OBBVXIRHISNZEE-FBIMIBRVSA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884449946 591938151 /nfs/dbraw/zinc/93/81/51/591938151.db2.gz SNGWQEYVYABOGB-NEPJUHHUSA-N 2 0 239.363 0.844 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884457862 591940161 /nfs/dbraw/zinc/94/01/61/591940161.db2.gz NVAAQKGWXLYGNQ-DCAQKATOSA-N 2 0 239.363 0.569 20 0 BCADRP COCC[C@@H]([NH3+])C(=O)NC1(C[NH3+])CCCCC1 ZINC000884464675 591943091 /nfs/dbraw/zinc/94/30/91/591943091.db2.gz YBFDEAYGYAMQGY-SNVBAGLBSA-N 2 0 243.351 0.128 20 0 BCADRP COC(=O)[C@H]1CC[C@@H]([NH2+]CCC[NH+](C)C)C1 ZINC000886489618 592235740 /nfs/dbraw/zinc/23/57/40/592235740.db2.gz MXHCVPVALHDTFQ-WDEREUQCSA-N 2 0 228.336 0.869 20 0 BCADRP [NH3+]C1(C[NH2+]C[C@H]2C[C@]23CCOC3)CCC1 ZINC000886832954 592356490 /nfs/dbraw/zinc/35/64/90/592356490.db2.gz QIRKEKLLWCBGFM-MNOVXSKESA-N 2 0 210.321 0.884 20 0 BCADRP [NH3+]C1(C[NH2+]C[C@@H]2C[C@]23CCOC3)CCC1 ZINC000886832955 592357541 /nfs/dbraw/zinc/35/75/41/592357541.db2.gz QIRKEKLLWCBGFM-QWRGUYRKSA-N 2 0 210.321 0.884 20 0 BCADRP C[N@H+](C[C@H]1C[C@]12CCOC2)C1CC([NH3+])C1 ZINC000886838323 592359273 /nfs/dbraw/zinc/35/92/73/592359273.db2.gz VJEKRDUEJNWNLJ-YYJSSNLHSA-N 2 0 210.321 0.835 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H]1C[C@@]13CCOC3)C2 ZINC000886841889 592362666 /nfs/dbraw/zinc/36/26/66/592362666.db2.gz ZKBDVKWXQLZVHZ-XJFOESAGSA-N 2 0 236.359 0.954 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220875827 592365491 /nfs/dbraw/zinc/36/54/91/592365491.db2.gz IUXYTMNLPSZOGO-WOPDTQHZSA-N 2 0 239.363 0.666 20 0 BCADRP CCN(CC1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000886850732 592366687 /nfs/dbraw/zinc/36/66/87/592366687.db2.gz QLUDCNCTGSVXSO-GFCCVEGCSA-N 2 0 211.353 0.670 20 0 BCADRP C([C@H]1CNCCO1)[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886859956 592372037 /nfs/dbraw/zinc/37/20/37/592372037.db2.gz LURNNICIPLGZPZ-UPJWGTAASA-N 2 0 240.347 0.476 20 0 BCADRP [NH3+]CCC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886871939 592377580 /nfs/dbraw/zinc/37/75/80/592377580.db2.gz FUNUOXHWLKJRMH-LBPRGKRZSA-N 3 0 211.353 0.801 20 0 BCADRP COCC[N@H+](C)CCCNC(=[NH2+])NCC1CC1 ZINC000887350142 592485306 /nfs/dbraw/zinc/48/53/06/592485306.db2.gz VXKCFRAOIGFNMN-UHFFFAOYSA-N 2 0 242.367 0.479 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NCC2CC2)C1 ZINC000887350184 592485415 /nfs/dbraw/zinc/48/54/15/592485415.db2.gz XYWMPPHNYPKZPD-JTQLQIEISA-N 2 0 210.325 0.462 20 0 BCADRP CC[N@H+](CCNC(=[NH2+])NCC(F)F)C1CC1 ZINC000887352736 592485437 /nfs/dbraw/zinc/48/54/37/592485437.db2.gz MAXUFJSFKOIQBE-UHFFFAOYSA-N 2 0 234.294 0.850 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=[NH2+])NCC(F)F)C1 ZINC000887353826 592487048 /nfs/dbraw/zinc/48/70/48/592487048.db2.gz DSIVEEYGKIWDIW-MRVPVSSYSA-N 2 0 234.294 0.707 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=[NH2+])NCC(F)F ZINC000887353809 592487336 /nfs/dbraw/zinc/48/73/36/592487336.db2.gz CSUAFECQGLUWCN-UHFFFAOYSA-N 2 0 222.283 0.754 20 0 BCADRP C[N@H+]1CC=C(CNC(=[NH2+])NCC2CC2)CC1 ZINC000887356841 592488383 /nfs/dbraw/zinc/48/83/83/592488383.db2.gz RZNUGSPCBNJWPZ-UHFFFAOYSA-N 2 0 222.336 0.772 20 0 BCADRP C[C@@H](CNC(=[NH2+])NCC1CC1)C[NH+](C)C ZINC000887360617 592489452 /nfs/dbraw/zinc/48/94/52/592489452.db2.gz PCRODBDJHBUMHA-VIFPVBQESA-N 2 0 212.341 0.708 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)NCC[NH+]1CCCCC1 ZINC000302683926 592551257 /nfs/dbraw/zinc/55/12/57/592551257.db2.gz QSLSVNAPNBRWQL-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000890065109 592674952 /nfs/dbraw/zinc/67/49/52/592674952.db2.gz ACVGBTDBFAVMME-NSHDSACASA-N 2 0 240.351 0.086 20 0 BCADRP C1CC2(C1)C[C@H](N[C@@H]1C[NH2+]CCOC1)CC[NH2+]2 ZINC000925708017 634398341 /nfs/dbraw/zinc/39/83/41/634398341.db2.gz QRVVMILHVQKHHU-VXGBXAGGSA-N 2 0 239.363 0.239 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925710630 634407280 /nfs/dbraw/zinc/40/72/80/634407280.db2.gz QIRYZHXNSYZHCR-GMTAPVOTSA-N 3 0 211.353 0.973 20 0 BCADRP [NH3+]CCCCCC[NH2+][C@H]1CNCCOC1 ZINC000925714423 634425231 /nfs/dbraw/zinc/42/52/31/634425231.db2.gz YLHKZLOBGKVVJC-NSHDSACASA-N 2 0 215.341 0.084 20 0 BCADRP [NH3+]CCCCCC[NH2+][C@@H]1CNCCOC1 ZINC000925714422 634425741 /nfs/dbraw/zinc/42/57/41/634425741.db2.gz YLHKZLOBGKVVJC-LLVKDONJSA-N 2 0 215.341 0.084 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](CC3OCCO3)C[C@@H]2C1 ZINC000931438495 634455334 /nfs/dbraw/zinc/45/53/34/634455334.db2.gz KRGNNPGFLXDZJZ-MNOVXSKESA-N 2 0 226.320 0.243 20 0 BCADRP [NH3+][C@H]1C[C@@H](NCC23CC(C2)C[NH2+]3)C12CCC2 ZINC000925717630 634454086 /nfs/dbraw/zinc/45/40/86/634454086.db2.gz VLFVXQBOODKLEH-LVFLEHKBSA-N 2 0 221.348 0.598 20 0 BCADRP CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027217011 634458557 /nfs/dbraw/zinc/45/85/57/634458557.db2.gz DNVQXUFOMJIXBM-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NC[C@H]1CCC[N@@H+]1C ZINC000925723183 634461353 /nfs/dbraw/zinc/46/13/53/634461353.db2.gz OIMJNYSNROIZNQ-UTUOFQBUSA-N 2 0 211.353 0.811 20 0 BCADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257712261 634477236 /nfs/dbraw/zinc/47/72/36/634477236.db2.gz TVPFLUUUKQIVCI-LBPRGKRZSA-N 3 0 223.364 0.671 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000257717870 634478708 /nfs/dbraw/zinc/47/87/08/634478708.db2.gz SHEYNKMZALXDLY-NEPJUHHUSA-N 2 0 239.363 0.526 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335514286 634480630 /nfs/dbraw/zinc/48/06/30/634480630.db2.gz NFGQYBBRGFXVND-JQWIXIFHSA-N 2 0 225.336 0.196 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CCC[C@@]12CC[NH2+]C2 ZINC000257741601 634488464 /nfs/dbraw/zinc/48/84/64/634488464.db2.gz YYDSHONCTGYQRE-RYUDHWBXSA-N 2 0 209.337 0.424 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335626088 634500914 /nfs/dbraw/zinc/50/09/14/634500914.db2.gz XOETWSDXJZOUGA-OLZOCXBDSA-N 2 0 239.363 0.858 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335639266 634504265 /nfs/dbraw/zinc/50/42/65/634504265.db2.gz NJXKDIAESNEWJK-PWSUYJOCSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925726703 634522791 /nfs/dbraw/zinc/52/27/91/634522791.db2.gz KCXLXWKAKQRDRB-CCKSWGLSSA-N 3 0 221.348 0.310 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925726708 634523540 /nfs/dbraw/zinc/52/35/40/634523540.db2.gz KCXLXWKAKQRDRB-QMNVILFCSA-N 3 0 221.348 0.310 20 0 BCADRP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000125567631 634555539 /nfs/dbraw/zinc/55/55/39/634555539.db2.gz UWPDXNRDSQTOHX-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000125567226 634556301 /nfs/dbraw/zinc/55/63/01/634556301.db2.gz UWPDXNRDSQTOHX-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC[NH2+]CC1 ZINC000925730585 634560882 /nfs/dbraw/zinc/56/08/82/634560882.db2.gz XEKSWFFTIJHCKF-SVJDTZHWSA-N 3 0 249.402 0.961 20 0 BCADRP C[N@@H+]1CC[C@H](c2nc([C@@H]3CCC[NH2+]C3)no2)C1 ZINC000258098139 634565352 /nfs/dbraw/zinc/56/53/52/634565352.db2.gz RXEWJOVHDZXXNO-ZJUUUORDSA-N 2 0 236.319 0.956 20 0 BCADRP C[C@@H](CCCCO)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810638 635364993 /nfs/dbraw/zinc/36/49/93/635364993.db2.gz FELNXQHPCPMCAK-LBPRGKRZSA-N 2 0 243.395 0.550 20 0 BCADRP CC(C)NC(=[NH2+])NCC[N@H+](C)C(C)C ZINC000054108815 635388726 /nfs/dbraw/zinc/38/87/26/635388726.db2.gz WUKSZVHMMHDIPY-UHFFFAOYSA-N 2 0 200.330 0.849 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000925824164 635411895 /nfs/dbraw/zinc/41/18/95/635411895.db2.gz QOBLQDOMGIVRQL-UPJWGTAASA-N 2 0 242.363 0.897 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000228532137 635462013 /nfs/dbraw/zinc/46/20/13/635462013.db2.gz KDIJGZARARVOFE-MWLCHTKSSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH+](C)CCn1cc(CCCC[NH3+])nn1 ZINC000122622977 635479739 /nfs/dbraw/zinc/47/97/39/635479739.db2.gz VDAGOEMGQVVEMR-UHFFFAOYSA-N 2 0 211.313 0.121 20 0 BCADRP CCO[C@@H](CNC1CC[NH2+]CC1)C[NH+](C)C ZINC000925839136 635500942 /nfs/dbraw/zinc/50/09/42/635500942.db2.gz PTZCFSFZLPVXPX-LBPRGKRZSA-N 2 0 229.368 0.295 20 0 BCADRP C[C@@H]([NH2+]CC[C@@H]1CNC(=O)C1)[C@H]1CCC[NH2+]1 ZINC000925840340 635503270 /nfs/dbraw/zinc/50/32/70/635503270.db2.gz VDXZKOASDBRJKD-OUAUKWLOSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]([NH2+]CC[C@@H]1CNC(=O)C1)[C@@H]1CCC[NH2+]1 ZINC000925840341 635504632 /nfs/dbraw/zinc/50/46/32/635504632.db2.gz VDXZKOASDBRJKD-VWYCJHECSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1C[C@H](C(=O)N2CCC[NH2+]CC2)CC[NH2+]1 ZINC000235347052 635573889 /nfs/dbraw/zinc/57/38/89/635573889.db2.gz UZURUDDMXOKOMN-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CCO[C@@H]1CCOC1 ZINC000925874041 635593331 /nfs/dbraw/zinc/59/33/31/635593331.db2.gz GVPVKUVFXINYNA-NWDGAFQWSA-N 2 0 246.351 0.135 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)CCCCC[NH3+] ZINC000054133528 635610239 /nfs/dbraw/zinc/61/02/39/635610239.db2.gz AWLZUWFCLZMHGR-UHFFFAOYSA-N 2 0 229.368 0.962 20 0 BCADRP C[N@@H+]1CC[C@@H](c2nc([C@@H]3CCC[NH2+]C3)no2)C1 ZINC000258098132 631353231 /nfs/dbraw/zinc/35/32/31/631353231.db2.gz RXEWJOVHDZXXNO-NXEZZACHSA-N 2 0 236.319 0.956 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000083355681 631423183 /nfs/dbraw/zinc/42/31/83/631423183.db2.gz VAEMMGPDSCLZHG-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](CS(C)(=O)=O)[NH2+]CCC(C)(C)[NH3+] ZINC000308558939 631425095 /nfs/dbraw/zinc/42/50/95/631425095.db2.gz WDARDEQFHGMMCC-QMMMGPOBSA-N 2 0 222.354 0.137 20 0 BCADRP Cc1nccn1CC[NH2+]CC1(O)CCC1 ZINC000131217896 631478384 /nfs/dbraw/zinc/47/83/84/631478384.db2.gz GDJSYGWSKRHKNA-UHFFFAOYSA-N 2 0 209.293 0.696 20 0 BCADRP COC[C@H](C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)OC ZINC000933733587 631494388 /nfs/dbraw/zinc/49/43/88/631494388.db2.gz MQLHPKQFUZUHGS-RWMBFGLXSA-N 2 0 242.363 0.531 20 0 BCADRP C[NH2+]CCCNC(=O)NCCC(C)(C)[NH3+] ZINC000891963024 631642047 /nfs/dbraw/zinc/64/20/47/631642047.db2.gz XGYGPGYTFQCSPX-UHFFFAOYSA-N 2 0 216.329 0.023 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891962951 631642408 /nfs/dbraw/zinc/64/24/08/631642408.db2.gz UUOKBEJTZGCYTD-JQWIXIFHSA-N 2 0 240.351 0.180 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000891963730 631643680 /nfs/dbraw/zinc/64/36/80/631643680.db2.gz LXIGKANVPWAXBI-ZJUUUORDSA-N 2 0 228.340 0.165 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCC[NH2+]C1CC1 ZINC000891967799 631652835 /nfs/dbraw/zinc/65/28/35/631652835.db2.gz AVKCVJORSOALAC-UWVGGRQHSA-N 2 0 240.351 0.260 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000308807856 631663203 /nfs/dbraw/zinc/66/32/03/631663203.db2.gz PLOXQKBMFZYHIL-GFCCVEGCSA-N 2 0 212.337 0.785 20 0 BCADRP [NH3+]CCCCCC[N@@H+]1CCCNC(=O)C1 ZINC000308820616 631712012 /nfs/dbraw/zinc/71/20/12/631712012.db2.gz CDUKEENADREBPV-UHFFFAOYSA-N 2 0 213.325 0.327 20 0 BCADRP [NH3+]C/C=C/CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892122576 631735361 /nfs/dbraw/zinc/73/53/61/631735361.db2.gz QQUJGUGUFMFWQC-OWOJBTEDSA-N 2 0 238.335 0.167 20 0 BCADRP [NH3+]C/C=C\CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892122577 631736361 /nfs/dbraw/zinc/73/63/61/631736361.db2.gz QQUJGUGUFMFWQC-UPHRSURJSA-N 2 0 238.335 0.167 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000892170997 631753066 /nfs/dbraw/zinc/75/30/66/631753066.db2.gz UWTGUEUBNWPPRO-CHWFTXMASA-N 2 0 240.351 0.245 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000892199049 631777811 /nfs/dbraw/zinc/77/78/11/631777811.db2.gz IPNCWFMTRNGZGK-AATLWQCWSA-N 2 0 228.340 0.243 20 0 BCADRP C[C@H](O)CC[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309008533 631801568 /nfs/dbraw/zinc/80/15/68/631801568.db2.gz QUZZPVNYAJVTIO-AXFHLTTASA-N 2 0 200.326 0.817 20 0 BCADRP CC[NH+]1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000309031771 631805548 /nfs/dbraw/zinc/80/55/48/631805548.db2.gz CDRXDOJCODEZGV-VIFPVBQESA-N 2 0 221.295 0.606 20 0 BCADRP CC[NH+]1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000309031770 631806284 /nfs/dbraw/zinc/80/62/84/631806284.db2.gz CDRXDOJCODEZGV-SECBINFHSA-N 2 0 221.295 0.606 20 0 BCADRP CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001022713236 631811311 /nfs/dbraw/zinc/81/13/11/631811311.db2.gz IMWYFKIDEAGHCO-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC000044518223 631816847 /nfs/dbraw/zinc/81/68/47/631816847.db2.gz KOFUAISMEYNLDV-RYUDHWBXSA-N 2 0 212.337 0.831 20 0 BCADRP COC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1 ZINC000849004788 631902961 /nfs/dbraw/zinc/90/29/61/631902961.db2.gz ZUGSSHGJPPXZJF-MNOVXSKESA-N 2 0 242.367 0.477 20 0 BCADRP CN(C[C@H]([NH3+])CC(F)F)C[C@@H]1CCC[N@@H+]1C ZINC000309167658 631926271 /nfs/dbraw/zinc/92/62/71/631926271.db2.gz ABKNWAOSAUZZIC-ZJUUUORDSA-N 2 0 235.322 0.995 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CCCCC[NH3+] ZINC000309249413 631983116 /nfs/dbraw/zinc/98/31/16/631983116.db2.gz DKQMPNNEOFNZMV-SNVBAGLBSA-N 2 0 215.341 0.605 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000309316682 631990778 /nfs/dbraw/zinc/99/07/78/631990778.db2.gz YWTQWQHGPPXNGH-QJPTWQEYSA-N 2 0 228.336 0.068 20 0 BCADRP CN(C)C(=O)C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000051919001 632012549 /nfs/dbraw/zinc/01/25/49/632012549.db2.gz GYHRMVXVMKEKQG-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP CC(C)NC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000052042170 632054061 /nfs/dbraw/zinc/05/40/61/632054061.db2.gz VLHGMHGZHBGQDK-SNVBAGLBSA-N 2 0 224.352 0.993 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000052042203 632054341 /nfs/dbraw/zinc/05/43/41/632054341.db2.gz OVVPIPCPMPVDPX-SECBINFHSA-N 2 0 212.341 0.851 20 0 BCADRP CN(C(=O)C[C@@H]1CCC[NH2+]1)C1CCC([NH3+])CC1 ZINC000161501085 632059742 /nfs/dbraw/zinc/05/97/42/632059742.db2.gz XLPBRGSKVIVFCO-CXQJBGSLSA-N 2 0 239.363 0.857 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000052062730 632063252 /nfs/dbraw/zinc/06/32/52/632063252.db2.gz SYRDUMASZNEJNX-LBPRGKRZSA-N 2 0 239.363 0.811 20 0 BCADRP CC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001022981595 632094821 /nfs/dbraw/zinc/09/48/21/632094821.db2.gz WEJRXXWDXBXIJJ-PHIMTYICSA-N 2 0 237.347 0.339 20 0 BCADRP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023086379 632126518 /nfs/dbraw/zinc/12/65/18/632126518.db2.gz KFNHZXJHDSJNLK-GARJFASQSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000841851764 635796955 /nfs/dbraw/zinc/79/69/55/635796955.db2.gz PHDDUNVHMZVMTM-MFKMUULPSA-N 2 0 247.342 0.873 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168566077 632476095 /nfs/dbraw/zinc/47/60/95/632476095.db2.gz ZYFJCQAREHTESE-OUAUKWLOSA-N 2 0 216.325 0.053 20 0 BCADRP C[C@@H]1CNC[C@H](C)[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309587961 632550680 /nfs/dbraw/zinc/55/06/80/632550680.db2.gz WZSDZJHFNGIDJS-KXNHARMFSA-N 2 0 211.353 0.796 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)CCCCC[NH3+] ZINC000309110259 632640120 /nfs/dbraw/zinc/64/01/20/632640120.db2.gz JJPZVFULMAWBIN-VIFPVBQESA-N 2 0 201.314 0.359 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC[NH+]1CCCC1 ZINC000086065674 632648330 /nfs/dbraw/zinc/64/83/30/632648330.db2.gz ZHTMPOZQJJQMBY-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC[NH+]1CCCC1 ZINC000086065671 632648770 /nfs/dbraw/zinc/64/87/70/632648770.db2.gz ZHTMPOZQJJQMBY-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCO ZINC000086500850 632649456 /nfs/dbraw/zinc/64/94/56/632649456.db2.gz YPODRGLJQTVOGU-QWRGUYRKSA-N 2 0 200.326 0.879 20 0 BCADRP CCC[NH+]1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000309174016 632663160 /nfs/dbraw/zinc/66/31/60/632663160.db2.gz BIMHGOARUHVUHD-SNVBAGLBSA-N 2 0 235.322 0.997 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000310124417 632702895 /nfs/dbraw/zinc/70/28/95/632702895.db2.gz VZZRHQXUSNJZQD-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)[C@H](C)C[NH2+]1 ZINC000310139586 632702971 /nfs/dbraw/zinc/70/29/71/632702971.db2.gz JUYKVZCFQSCQNA-UPJWGTAASA-N 2 0 241.379 0.125 20 0 BCADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000310223035 632709043 /nfs/dbraw/zinc/70/90/43/632709043.db2.gz XLHFCEVFADMQNC-IJLUTSLNSA-N 2 0 241.379 0.973 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000310263044 632712263 /nfs/dbraw/zinc/71/22/63/632712263.db2.gz MEMAUXZMXAANSD-FRRDWIJNSA-N 2 0 241.379 0.255 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000310287365 632715795 /nfs/dbraw/zinc/71/57/95/632715795.db2.gz YCXUBYRMPXAIMJ-NEPJUHHUSA-N 2 0 239.363 0.572 20 0 BCADRP COCC[C@@H](COC)[NH2+]CC1CC[NH+](C)CC1 ZINC000310373359 632733186 /nfs/dbraw/zinc/73/31/86/632733186.db2.gz YNURDPDTEVWWPC-ZDUSSCGKSA-N 2 0 244.379 0.969 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000310442928 632741805 /nfs/dbraw/zinc/74/18/05/632741805.db2.gz SVIHZMGDEVTHKM-YNEHKIRRSA-N 2 0 242.363 0.267 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000310486900 632748782 /nfs/dbraw/zinc/74/87/82/632748782.db2.gz GRWLNXCCOQQOBA-NSHDSACASA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000310523119 632758088 /nfs/dbraw/zinc/75/80/88/632758088.db2.gz MKBMVUHXDGADAK-QWHCGFSZSA-N 3 0 241.379 0.114 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CC1 ZINC000052041384 632780392 /nfs/dbraw/zinc/78/03/92/632780392.db2.gz MJQXORKNMDDIIQ-SNVBAGLBSA-N 2 0 210.325 0.747 20 0 BCADRP CCNC(=[NH2+])NC[C@H](C)[NH+]1CCCCC1 ZINC000052042784 632781191 /nfs/dbraw/zinc/78/11/91/632781191.db2.gz HDOCVXSOLAXWHI-JTQLQIEISA-N 2 0 212.341 0.995 20 0 BCADRP C[C@]1(C[NH3+])CC[N@H+](CCn2cccn2)C1 ZINC000235707424 632818246 /nfs/dbraw/zinc/81/82/46/632818246.db2.gz FGJYSSCGJPKVRN-LLVKDONJSA-N 2 0 208.309 0.554 20 0 BCADRP [NH3+]CCCCCC(=O)N1CCCC[C@H]1C[NH3+] ZINC000154135181 632828845 /nfs/dbraw/zinc/82/88/45/632828845.db2.gz KQJJJVQEOFTZDJ-NSHDSACASA-N 2 0 227.352 0.845 20 0 BCADRP C[C@@H]1CN(C(=O)CCCCC[NH3+])C[C@H](C)[NH2+]1 ZINC000154146714 632828957 /nfs/dbraw/zinc/82/89/57/632828957.db2.gz KVJSKSRAZAMBRW-PHIMTYICSA-N 2 0 227.352 0.714 20 0 BCADRP CN1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CC1=O ZINC000309258443 632850724 /nfs/dbraw/zinc/85/07/24/632850724.db2.gz BIPOALCSVSYKMX-LLVKDONJSA-N 2 0 225.336 0.149 20 0 BCADRP CNC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C ZINC000066245053 632859727 /nfs/dbraw/zinc/85/97/27/632859727.db2.gz UOVYMILFEWNGDW-VIFPVBQESA-N 2 0 200.330 0.497 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892548970 632958559 /nfs/dbraw/zinc/95/85/59/632958559.db2.gz LQOHSAPIIUHDQA-AXFHLTTASA-N 2 0 240.351 0.117 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000161553282 633008594 /nfs/dbraw/zinc/00/85/94/633008594.db2.gz UGNKCEHNNAZJSX-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1[C@H](C)NCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309393769 633009418 /nfs/dbraw/zinc/00/94/18/633009418.db2.gz GGNQKVJOUJRLSU-QCNOEVLYSA-N 2 0 211.353 0.796 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335514284 635880399 /nfs/dbraw/zinc/88/03/99/635880399.db2.gz NFGQYBBRGFXVND-CMPLNLGQSA-N 2 0 225.336 0.196 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000381656996 633069673 /nfs/dbraw/zinc/06/96/73/633069673.db2.gz FMBNYLBELCEYTL-NSHDSACASA-N 2 0 213.325 0.183 20 0 BCADRP C[C@H]([NH3+])CNc1ccc(OCC[NH3+])cc1 ZINC000309467134 633110691 /nfs/dbraw/zinc/11/06/91/633110691.db2.gz QDZWLIDNMMEMDQ-VIFPVBQESA-N 2 0 209.293 0.783 20 0 BCADRP CCONC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000166428927 633113307 /nfs/dbraw/zinc/11/33/07/633113307.db2.gz YVAHNTWTKNFRLO-UHFFFAOYSA-N 2 0 246.355 0.073 20 0 BCADRP C[C@H](CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)[NH+](C)C ZINC000167416484 633128509 /nfs/dbraw/zinc/12/85/09/633128509.db2.gz STMIXPKVEISLAE-GMTAPVOTSA-N 2 0 227.352 0.441 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000167529644 633131428 /nfs/dbraw/zinc/13/14/28/633131428.db2.gz LSOVBMQQVFRIGH-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)CC[C@@H]1C[NH3+] ZINC000122291520 633186173 /nfs/dbraw/zinc/18/61/73/633186173.db2.gz BVRNVUKXYYMBLF-GHMZBOCLSA-N 2 0 239.363 0.524 20 0 BCADRP CC(C)CNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000122297640 633198934 /nfs/dbraw/zinc/19/89/34/633198934.db2.gz AANNFPAGAOUKDM-NWDGAFQWSA-N 2 0 241.379 0.675 20 0 BCADRP CCOCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000122300237 633199504 /nfs/dbraw/zinc/19/95/04/633199504.db2.gz VSEZSUJPWUXISU-MNOVXSKESA-N 2 0 200.326 0.940 20 0 BCADRP [NH3+]CCCCCC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000309559471 633199917 /nfs/dbraw/zinc/19/99/17/633199917.db2.gz NXMKEGPRUSHWIR-SNVBAGLBSA-N 2 0 213.325 0.455 20 0 BCADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C(C)(C)CO ZINC000925119216 636102481 /nfs/dbraw/zinc/10/24/81/636102481.db2.gz WNKGZHLEWDXTJT-NSHDSACASA-N 2 0 244.379 0.440 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2C)CC[N@@H+]1C ZINC000928551841 636084614 /nfs/dbraw/zinc/08/46/14/636084614.db2.gz FGYWDFCPNRRKQS-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH+](C)CCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328468591 633768984 /nfs/dbraw/zinc/76/89/84/633768984.db2.gz YMBMEPOQIZCRPQ-QSLWVIQJSA-N 3 0 237.391 0.914 20 0 BCADRP OCCC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000328500335 633773525 /nfs/dbraw/zinc/77/35/25/633773525.db2.gz TXUKFFDGHBEJAX-OBPIAQAESA-N 2 0 236.359 0.735 20 0 BCADRP CC1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)COC1 ZINC000328554238 633775348 /nfs/dbraw/zinc/77/53/48/633775348.db2.gz XLVWHSDOAJMQAT-NGDQXYMTSA-N 2 0 222.332 0.609 20 0 BCADRP CC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)COC1 ZINC000328554239 633776850 /nfs/dbraw/zinc/77/68/50/633776850.db2.gz XLVWHSDOAJMQAT-RNWYCLNJSA-N 2 0 222.332 0.609 20 0 BCADRP COCCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328407770 633822983 /nfs/dbraw/zinc/82/29/83/633822983.db2.gz FVJRTUJTEOCBIN-NWBUJAPZSA-N 2 0 224.348 0.999 20 0 BCADRP CC[NH2+]CC(=O)N[C@H](C[NH3+])CC(C)C ZINC000308861926 633824951 /nfs/dbraw/zinc/82/49/51/633824951.db2.gz RRCJTSBPRPQLAD-VIFPVBQESA-N 2 0 201.314 0.086 20 0 BCADRP C[NH+](C)CCCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925505110 633836110 /nfs/dbraw/zinc/83/61/10/633836110.db2.gz TVFGEYHZFURSPP-LLVKDONJSA-N 2 0 211.353 0.812 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925508354 633843563 /nfs/dbraw/zinc/84/35/63/633843563.db2.gz FVFNOLUCFZUQFM-NWDGAFQWSA-N 2 0 227.352 0.049 20 0 BCADRP CCCC[N@@H+](CC(N)=O)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309440197 633918592 /nfs/dbraw/zinc/91/85/92/633918592.db2.gz NVYVAYWNZWBPII-MNOVXSKESA-N 2 0 227.352 0.701 20 0 BCADRP CC(C)C[C@H](CN[C@@H]1C[NH2+]CCOC1)[NH+](C)C ZINC000925535822 633933834 /nfs/dbraw/zinc/93/38/34/633933834.db2.gz LMJWEFVCOAWTOB-CHWSQXEVSA-N 2 0 243.395 0.541 20 0 BCADRP C[NH2+]CCNC(=O)c1cccc(C[NH3+])c1 ZINC000309506992 633940285 /nfs/dbraw/zinc/94/02/85/633940285.db2.gz WECVLKATDIXGEI-UHFFFAOYSA-N 2 0 207.277 0.095 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000895470416 636147866 /nfs/dbraw/zinc/14/78/66/636147866.db2.gz XMNYGLHBQKHLBX-SNVBAGLBSA-N 2 0 227.352 0.537 20 0 BCADRP C[N@@H+]1CCCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000309982547 634058122 /nfs/dbraw/zinc/05/81/22/634058122.db2.gz FIKDTNMRLJLPCI-ZDUSSCGKSA-N 2 0 241.379 0.081 20 0 BCADRP C[NH+](C)C[C@@H](O)CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925608893 634144312 /nfs/dbraw/zinc/14/43/12/634144312.db2.gz LLOJKIIOBIQABE-RYUDHWBXSA-N 2 0 241.379 0.173 20 0 BCADRP CNC(=O)[C@@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000310451079 634147756 /nfs/dbraw/zinc/14/77/56/634147756.db2.gz VRBYWMLYWYXKDH-GFCCVEGCSA-N 2 0 241.379 0.964 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000162441844 634153374 /nfs/dbraw/zinc/15/33/74/634153374.db2.gz GWVMFFFHQUNLRB-KKZNHRDASA-N 2 0 229.299 0.074 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C12CCC2 ZINC000925616599 634163242 /nfs/dbraw/zinc/16/32/42/634163242.db2.gz SEOHBNJGKAWOGH-IRCOFANPSA-N 2 0 222.332 0.783 20 0 BCADRP CC[NH+](CC)[C@H](C)CN[C@H]1C[NH2+]CCOC1 ZINC000925661291 634225627 /nfs/dbraw/zinc/22/56/27/634225627.db2.gz CWVTYJMQGNSGGU-NEPJUHHUSA-N 2 0 229.368 0.295 20 0 BCADRP COC[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925667828 634245897 /nfs/dbraw/zinc/24/58/97/634245897.db2.gz SLAORFCXEIABHR-OUAUKWLOSA-N 2 0 230.352 0.489 20 0 BCADRP NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925684665 634294910 /nfs/dbraw/zinc/29/49/10/634294910.db2.gz IRMIMJZFMLXORM-OUAUKWLOSA-N 2 0 237.347 0.515 20 0 BCADRP CC[NH2+]CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925690897 634314014 /nfs/dbraw/zinc/31/40/14/634314014.db2.gz HZCOKPDDMWPLJW-LLVKDONJSA-N 2 0 211.353 0.860 20 0 BCADRP C[C@H]([NH3+])[C@@H](NC1C[NH2+]C1)c1ccccc1 ZINC000925690503 634314748 /nfs/dbraw/zinc/31/47/48/634314748.db2.gz GPVIGSLOTPOGIK-JOYOIKCWSA-N 2 0 205.305 0.636 20 0 BCADRP C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@@H]1CCC[NH2+]C1 ZINC000925691852 634319897 /nfs/dbraw/zinc/31/98/97/634319897.db2.gz KGJOVAUGLYPZDZ-BBMNEWJDSA-N 2 0 235.375 0.572 20 0 BCADRP [NH3+][C@@H]1C[C@H](NC[C@H]2CCCC[NH2+]2)C12CCC2 ZINC000925694103 634332131 /nfs/dbraw/zinc/33/21/31/634332131.db2.gz QSVORVHZDCPRBI-UTUOFQBUSA-N 2 0 223.364 0.988 20 0 BCADRP [NH3+][C@@H](CN[C@H]1C[NH2+]CCOC1)c1ccccc1 ZINC000925694793 634340397 /nfs/dbraw/zinc/34/03/97/634340397.db2.gz TVOOLAZWZYEFLQ-STQMWFEESA-N 2 0 235.331 0.264 20 0 BCADRP CC(C)[C@H]([NH3+])CN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925695718 634348547 /nfs/dbraw/zinc/34/85/47/634348547.db2.gz WCXFKBZKSHWWGR-VWYCJHECSA-N 2 0 211.353 0.829 20 0 BCADRP [NH3+]C[C@@H](N[C@H]1C[NH2+]CCOC1)C1CCCCC1 ZINC000925696184 634353317 /nfs/dbraw/zinc/35/33/17/634353317.db2.gz YAVMAXJPSJCGJE-QWHCGFSZSA-N 2 0 241.379 0.472 20 0 BCADRP [NH3+]C[C@H](N[C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925697058 634360773 /nfs/dbraw/zinc/36/07/73/634360773.db2.gz DEZYJMTXBNCXJU-QWRGUYRKSA-N 2 0 209.337 0.598 20 0 BCADRP C(N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1C[NH2+]C1 ZINC000925699330 634366498 /nfs/dbraw/zinc/36/64/98/634366498.db2.gz ODLKXBOCVIUWED-KGLIPLIRSA-N 2 0 237.391 0.964 20 0 BCADRP CCCC[C@H](C[NH3+])N[C@H]1C[NH2+]CCOC1 ZINC000925699491 634367063 /nfs/dbraw/zinc/36/70/63/634367063.db2.gz PDBXVIBVIOBUTQ-MNOVXSKESA-N 2 0 215.341 0.082 20 0 BCADRP [NH3+][C@@H]1C[C@H](NC[C@H]2CC[NH2+]C2)C12CCC2 ZINC000925700074 634368645 /nfs/dbraw/zinc/36/86/45/634368645.db2.gz RILVFUJRXQKINY-AXFHLTTASA-N 2 0 209.337 0.455 20 0 BCADRP C[NH2+][C@H](C)CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925700732 634372395 /nfs/dbraw/zinc/37/23/95/634372395.db2.gz SBHOQGSOGUFIQL-QAWJZHMJSA-N 2 0 209.337 0.180 20 0 BCADRP [NH3+]CC1(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925701947 634375625 /nfs/dbraw/zinc/37/56/25/634375625.db2.gz INDJKDICRJUOMX-JZRPKSSGSA-N 3 0 235.375 0.701 20 0 BCADRP [NH3+]CC1(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925701948 634376914 /nfs/dbraw/zinc/37/69/14/634376914.db2.gz INDJKDICRJUOMX-NWBUJAPZSA-N 3 0 235.375 0.701 20 0 BCADRP CCC1([NH3+])CC[NH+]([C@@H](CCC[NH3+])COC)CC1 ZINC000925761055 635160565 /nfs/dbraw/zinc/16/05/65/635160565.db2.gz TYMLUEPXMREZOX-LBPRGKRZSA-N 2 0 243.395 0.944 20 0 BCADRP CC[NH2+]CC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000258616329 635172627 /nfs/dbraw/zinc/17/26/27/635172627.db2.gz BLDYZNRRPTYKFP-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000248997416 635176174 /nfs/dbraw/zinc/17/61/74/635176174.db2.gz HYVGQWJUPXKUFF-OUAUKWLOSA-N 2 0 229.368 0.802 20 0 BCADRP CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980391714 635217400 /nfs/dbraw/zinc/21/74/00/635217400.db2.gz RUAFOWYGHYJGRD-NEPJUHHUSA-N 2 0 239.363 0.491 20 0 BCADRP CO[C@@H]1COCC[C@@H]1[N@H+](C)CC1CC[NH2+]CC1 ZINC000310171015 635291605 /nfs/dbraw/zinc/29/16/05/635291605.db2.gz PRQIJQPBFCKZPZ-QWHCGFSZSA-N 2 0 242.363 0.722 20 0 BCADRP C[C@H](CCCCO)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925783792 635296880 /nfs/dbraw/zinc/29/68/80/635296880.db2.gz GZBOONKSIPOLCZ-UTUOFQBUSA-N 2 0 214.353 0.983 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000925791856 635321723 /nfs/dbraw/zinc/32/17/23/635321723.db2.gz SQEDZWAODBGSGV-MROQNXINSA-N 3 0 225.380 0.914 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925792936 635324307 /nfs/dbraw/zinc/32/43/07/635324307.db2.gz XCKISMFDRQGOOS-YTWAJWBKSA-N 2 0 200.326 0.855 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)CCO1 ZINC000925814331 635376348 /nfs/dbraw/zinc/37/63/48/635376348.db2.gz HWIIIBFLASDBBT-WCQYABFASA-N 2 0 241.379 0.567 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)CCO1 ZINC000925814333 635376419 /nfs/dbraw/zinc/37/64/19/635376419.db2.gz HWIIIBFLASDBBT-YPMHNXCESA-N 2 0 241.379 0.567 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)CCO1 ZINC000925814328 635378591 /nfs/dbraw/zinc/37/85/91/635378591.db2.gz HWIIIBFLASDBBT-DGCLKSJQSA-N 2 0 241.379 0.567 20 0 BCADRP COCCC[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925814619 635379470 /nfs/dbraw/zinc/37/94/70/635379470.db2.gz KKTRRTMPEIBZSL-GFCCVEGCSA-N 2 0 243.395 0.814 20 0 BCADRP C[C@H]([NH2+]CCO[C@@H]1CCOC1)[C@H]1CCC[NH2+]C1 ZINC000925874405 635595788 /nfs/dbraw/zinc/59/57/88/635595788.db2.gz JIZFZAQIGIYQPT-RWMBFGLXSA-N 2 0 242.363 0.770 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCc2nnn(C)c2C1 ZINC000925892887 635618031 /nfs/dbraw/zinc/61/80/31/635618031.db2.gz HFFGIBINYQCQLZ-LPEHRKFASA-N 2 0 237.351 0.388 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000895470099 636147751 /nfs/dbraw/zinc/14/77/51/636147751.db2.gz SKTPXFMJUOOBFD-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870934233 636384047 /nfs/dbraw/zinc/38/40/47/636384047.db2.gz HXHAXJYMSSIPIN-BMQDGWLCSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972090 636394600 /nfs/dbraw/zinc/39/46/00/636394600.db2.gz RIXLKQSJGVRYCW-GMTAPVOTSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000861642881 636610015 /nfs/dbraw/zinc/61/00/15/636610015.db2.gz JVFGHIFOYNBMOM-MWLCHTKSSA-N 2 0 242.367 0.493 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)CCCCCC[NH3+] ZINC000237412197 636765075 /nfs/dbraw/zinc/76/50/75/636765075.db2.gz NXTXBBCPHJKIAD-JTQLQIEISA-N 2 0 215.341 0.701 20 0 BCADRP [NH3+][C@@H](C(=O)NC1CC[NH2+]CC1)c1ccccc1 ZINC000082260762 636868798 /nfs/dbraw/zinc/86/87/98/636868798.db2.gz YEZKTFARRSOIFC-GFCCVEGCSA-N 2 0 233.315 0.555 20 0 BCADRP C[C@H]1[C@H](NC(=O)N(C)CC[NH+](C)C)CC[N@@H+]1C ZINC000925324245 636869494 /nfs/dbraw/zinc/86/94/94/636869494.db2.gz BNZLDTPEBXFYCQ-WDEREUQCSA-N 2 0 242.367 0.282 20 0 BCADRP CN1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCC1=O ZINC000089146600 636904113 /nfs/dbraw/zinc/90/41/13/636904113.db2.gz SWFMGFZMEUDIFH-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+]1CCC(CNC(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000089747445 636908928 /nfs/dbraw/zinc/90/89/28/636908928.db2.gz WPOASUGCIUULSV-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C[C@H]3C[NH2+]CCO3)CC[C@H]21 ZINC000866704755 636934083 /nfs/dbraw/zinc/93/40/83/636934083.db2.gz XKZFLEQCCMCGMT-JHJVBQTASA-N 2 0 239.363 0.001 20 0 BCADRP C[C@H](CC(=O)N(C)[C@H](C)C[NH3+])C1CC[NH2+]CC1 ZINC000237504228 637018276 /nfs/dbraw/zinc/01/82/76/637018276.db2.gz WGLHUWXQKPKEGL-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]([NH3+])Cn1cc([C@@H]2CCCC[NH2+]2)nn1 ZINC000899718925 637127003 /nfs/dbraw/zinc/12/70/03/637127003.db2.gz MOHTZVBBZHWLKI-IUCAKERBSA-N 2 0 209.297 0.440 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@]2(C)CCC[NH2+]2)CC[N@@H+]1C ZINC000157891160 637174014 /nfs/dbraw/zinc/17/40/14/637174014.db2.gz ZZSZCJGJSKXNMZ-GVXVVHGQSA-N 2 0 239.363 0.727 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCOCCO)C1 ZINC000902363788 637301557 /nfs/dbraw/zinc/30/15/57/637301557.db2.gz NJXRFPWJGJFUIQ-NSHDSACASA-N 2 0 230.352 0.363 20 0 BCADRP NOCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000902419625 637303156 /nfs/dbraw/zinc/30/31/56/637303156.db2.gz RZXKMBWWZLTMBI-GHMZBOCLSA-N 2 0 213.325 0.483 20 0 BCADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903461458 637363232 /nfs/dbraw/zinc/36/32/32/637363232.db2.gz UPIHOPFFDGBAHA-WISYIIOYSA-N 2 0 212.337 0.959 20 0 BCADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@@H]1COCCO1 ZINC000903463470 637364840 /nfs/dbraw/zinc/36/48/40/637364840.db2.gz BYTUXLXFARXSPP-GRYCIOLGSA-N 2 0 228.336 0.461 20 0 BCADRP C[NH2+]C[C@@H]1CCCCN1C[C@H]1CC[NH2+]C1 ZINC000903528540 637366208 /nfs/dbraw/zinc/36/62/08/637366208.db2.gz MYOGZJRZKVFWSQ-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP [NH3+][C@H]1CCCN(C[C@@H]2C[C@@]23CCOC3)C1 ZINC000903551320 637370075 /nfs/dbraw/zinc/37/00/75/637370075.db2.gz FHGVDZOGHXMAHV-SDDRHHMPSA-N 2 0 210.321 0.836 20 0 BCADRP Cc1nc(CC2CC[NH+](CCC[NH3+])CC2)no1 ZINC000903566230 637372081 /nfs/dbraw/zinc/37/20/81/637372081.db2.gz MKQLNFAOEYRQAF-UHFFFAOYSA-N 2 0 238.335 0.981 20 0 BCADRP CC1(C)C[N@H+](CC2CC[NH2+]CC2)C[C@@H]1N ZINC000903551228 637372183 /nfs/dbraw/zinc/37/21/83/637372183.db2.gz AGWCNHMPZYPDTB-NSHDSACASA-N 2 0 211.353 0.655 20 0 BCADRP CC[N@H+](CCC(N)=O)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903577421 637374102 /nfs/dbraw/zinc/37/41/02/637374102.db2.gz KFUGKQUQRSZDMI-ZJUUUORDSA-N 2 0 213.325 0.311 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000903788295 637381073 /nfs/dbraw/zinc/38/10/73/637381073.db2.gz HZMBWVSTBZGENA-GRYCIOLGSA-N 2 0 240.347 0.856 20 0 BCADRP C[C@H]1C[N@H+](Cc2cn(C)nn2)CC[C@@H]1C[NH3+] ZINC000903788270 637382286 /nfs/dbraw/zinc/38/22/86/637382286.db2.gz HIKVHDMTZOSVSU-VHSXEESVSA-N 2 0 223.324 0.232 20 0 BCADRP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903788056 637382758 /nfs/dbraw/zinc/38/27/58/637382758.db2.gz BDBPJMPMMRHNSQ-HZSPNIEDSA-N 3 0 237.391 0.917 20 0 BCADRP Cc1cc(C)nc(CN2CCC[C@]([NH3+])(CO)C2)c1 ZINC000903789651 637383498 /nfs/dbraw/zinc/38/34/98/637383498.db2.gz YWXCFFZBKWBMHS-CQSZACIVSA-N 2 0 249.358 0.984 20 0 BCADRP [NH3+]CCCCCC[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000903841371 637385123 /nfs/dbraw/zinc/38/51/23/637385123.db2.gz XBNWBKSPVAEGMG-GHMZBOCLSA-N 2 0 218.316 0.910 20 0 BCADRP [NH3+]CC1(CN2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC000904429850 637400706 /nfs/dbraw/zinc/40/07/06/637400706.db2.gz OYUHMWBCYQLNKB-CYBMUJFWSA-N 2 0 223.364 0.943 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+][C@H]2C[NH2+]CC2(C)C)CC[NH2+]1 ZINC000904461395 637406649 /nfs/dbraw/zinc/40/66/49/637406649.db2.gz IXIXJAKCWSOUFG-UTUOFQBUSA-N 3 0 225.380 0.962 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000904461849 637406883 /nfs/dbraw/zinc/40/68/83/637406883.db2.gz OZGAHMACFAMWDC-AXFHLTTASA-N 2 0 211.353 0.572 20 0 BCADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCCON ZINC000904457409 637418985 /nfs/dbraw/zinc/41/89/85/637418985.db2.gz NLPTVZIMAKZMPA-UWVGGRQHSA-N 2 0 201.314 0.387 20 0 BCADRP CC(C)C[C@H]([NH3+])CN[C@@H]1C[NH2+]CC1(C)C ZINC000904460897 637420262 /nfs/dbraw/zinc/42/02/62/637420262.db2.gz BHMRHPCSSOTEHH-WDEREUQCSA-N 2 0 213.369 0.947 20 0 BCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000904459048 637420429 /nfs/dbraw/zinc/42/04/29/637420429.db2.gz NFCOZJBDWYLVKI-NGFQHRJXSA-N 2 0 243.354 0.810 20 0 BCADRP C[C@H]1C[C@H](C[NH2+]CCCON)CC[NH2+]1 ZINC000904458264 637420950 /nfs/dbraw/zinc/42/09/50/637420950.db2.gz WGBZJQGRQNEGIN-VHSXEESVSA-N 2 0 201.314 0.245 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+]CCCON)CC[NH2+]1 ZINC000904458230 637421110 /nfs/dbraw/zinc/42/11/10/637421110.db2.gz WGBZJQGRQNEGIN-NXEZZACHSA-N 2 0 201.314 0.245 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN[C@@H]1C[NH2+]CC1(C)C ZINC000904461220 637421318 /nfs/dbraw/zinc/42/13/18/637421318.db2.gz HBGQCDVSVDNCGV-WDEREUQCSA-N 2 0 213.369 0.805 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000904931947 637534085 /nfs/dbraw/zinc/53/40/85/637534085.db2.gz RKCXHPMQYPKXLA-JOYOIKCWSA-N 2 0 227.352 0.761 20 0 BCADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](C)C)C1 ZINC000905050743 637568193 /nfs/dbraw/zinc/56/81/93/637568193.db2.gz PNIJFNFIBQGJFN-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@H]([NH3+])Cn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000905057078 637590945 /nfs/dbraw/zinc/59/09/45/637590945.db2.gz JUJBOUNJXPNBCV-QMMMGPOBSA-N 2 0 211.313 0.513 20 0 BCADRP C[C@H]([NH3+])Cn1cc(C[N@H+](C)C(C)(C)C)nn1 ZINC000905057490 637591711 /nfs/dbraw/zinc/59/17/11/637591711.db2.gz QQYIVHPBGXQKSL-VIFPVBQESA-N 2 0 225.340 0.856 20 0 BCADRP CC(C)N(C)Cc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000905059523 637591981 /nfs/dbraw/zinc/59/19/81/637591981.db2.gz UNGFUFPBALUGNB-LLVKDONJSA-N 2 0 237.351 0.870 20 0 BCADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905109365 637615622 /nfs/dbraw/zinc/61/56/22/637615622.db2.gz BXPWIGCYNSGZFV-GHMZBOCLSA-N 2 0 230.352 0.192 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000906091386 638047514 /nfs/dbraw/zinc/04/75/14/638047514.db2.gz FBNOQJRCJYOQOT-GMTAPVOTSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000906092194 638050090 /nfs/dbraw/zinc/05/00/90/638050090.db2.gz UPIPMFDCNKRXJO-IWSPIJDZSA-N 2 0 201.314 0.212 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000906091522 638048380 /nfs/dbraw/zinc/04/83/80/638048380.db2.gz IMEJNBYVFHPDPJ-GMTAPVOTSA-N 2 0 227.352 0.556 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000906091980 638049208 /nfs/dbraw/zinc/04/92/08/638049208.db2.gz RJSASJYUNOAJFW-OUAUKWLOSA-N 2 0 227.352 0.617 20 0 BCADRP CC[C@H]1CN(C(=O)[C@H]([NH3+])CC(C)C)CC[C@@H]1[NH3+] ZINC000906091922 638049701 /nfs/dbraw/zinc/04/97/01/638049701.db2.gz PQWOCJKUDJZEPT-SDDRHHMPSA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000906092021 638049886 /nfs/dbraw/zinc/04/98/86/638049886.db2.gz SCVXTOXHTFCQNP-HBNTYKKESA-N 2 0 227.352 0.603 20 0 BCADRP Cc1nn(C)c2ncc(C[NH2+][C@H]3C[C@H]([NH3+])C3)cc12 ZINC000906508320 638179564 /nfs/dbraw/zinc/17/95/64/638179564.db2.gz MVHIBRHKPCUDCN-XYPYZODXSA-N 2 0 245.330 0.856 20 0 BCADRP COC(=O)C(C)(C)CC[NH2+]C1CC([NH3+])C1 ZINC000906510525 638184079 /nfs/dbraw/zinc/18/40/79/638184079.db2.gz KZCZYBVVEPQZBZ-UHFFFAOYSA-N 2 0 214.309 0.655 20 0 BCADRP [NH3+]C1CC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000906511498 638185843 /nfs/dbraw/zinc/18/58/43/638185843.db2.gz XVSPKPSUHZJDHM-TZMBILIQSA-N 3 0 209.337 0.454 20 0 BCADRP [NH3+][C@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000906517593 638186622 /nfs/dbraw/zinc/18/66/22/638186622.db2.gz IBJBOIAAYDHPEH-SYLRKERUSA-N 2 0 223.364 0.986 20 0 BCADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000906519303 638187431 /nfs/dbraw/zinc/18/74/31/638187431.db2.gz XVSPKPSUHZJDHM-MJDLHHQISA-N 3 0 209.337 0.454 20 0 BCADRP [NH3+][C@H]1C[C@H](NCc2nc3c(s2)C[NH2+]CC3)C1 ZINC000906517989 638188210 /nfs/dbraw/zinc/18/82/10/638188210.db2.gz MECHMBRNBGOYQQ-ZKCHVHJHSA-N 2 0 238.360 0.368 20 0 BCADRP COC(=O)C(C)(C)CC[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906517958 638188632 /nfs/dbraw/zinc/18/86/32/638188632.db2.gz KZCZYBVVEPQZBZ-KYZUINATSA-N 2 0 214.309 0.655 20 0 BCADRP C[NH+](C)C1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC000908009264 638547781 /nfs/dbraw/zinc/54/77/81/638547781.db2.gz CVOVEKYWOVBTNC-UHFFFAOYSA-N 2 0 225.336 0.291 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000910264722 639396624 /nfs/dbraw/zinc/39/66/24/639396624.db2.gz BOFPDFFIFNEBRZ-NWDGAFQWSA-N 2 0 241.379 0.879 20 0 BCADRP CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000910473486 639464486 /nfs/dbraw/zinc/46/44/86/639464486.db2.gz GEWJVJUEFJHEKT-NSHDSACASA-N 2 0 237.347 0.293 20 0 BCADRP C[NH2+][C@@H]1CCN(c2ccnc(N(C)C)n2)C1 ZINC000150251336 639465707 /nfs/dbraw/zinc/46/57/07/639465707.db2.gz IKDZVJROXIFXNK-SECBINFHSA-N 2 0 221.308 0.341 20 0 BCADRP [NH3+]Cc1ccccc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911620798 639683733 /nfs/dbraw/zinc/68/37/33/639683733.db2.gz UXNOCYIDNDPMOB-NSHDSACASA-N 2 0 233.315 0.709 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911623986 639684594 /nfs/dbraw/zinc/68/45/94/639684594.db2.gz PDWQKOSTXFUQJV-DCAQKATOSA-N 2 0 227.352 0.700 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911623987 639685337 /nfs/dbraw/zinc/68/53/37/639685337.db2.gz PDWQKOSTXFUQJV-GARJFASQSA-N 2 0 227.352 0.700 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000911622549 639685439 /nfs/dbraw/zinc/68/54/39/639685439.db2.gz IPPYYXUPDUNUDO-UWVGGRQHSA-N 2 0 245.392 0.407 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C1 ZINC000911624389 639685557 /nfs/dbraw/zinc/68/55/57/639685557.db2.gz RZZBXCJJJVUIBR-SCVCMEIPSA-N 2 0 223.320 0.078 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000911633249 639691017 /nfs/dbraw/zinc/69/10/17/639691017.db2.gz FVGZHYSBVKKDDX-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC000911670656 639696884 /nfs/dbraw/zinc/69/68/84/639696884.db2.gz OZIZKMKUOYMNNE-WOPDTQHZSA-N 2 0 237.347 0.039 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911672378 639698533 /nfs/dbraw/zinc/69/85/33/639698533.db2.gz DDXINERUTZRZMW-DGCLKSJQSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)(C[NH3+])CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911672619 639698647 /nfs/dbraw/zinc/69/86/47/639698647.db2.gz FATGHHYWJPAPCK-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]C1(C(=O)NCC2([NH3+])CCCCC2)CCC1 ZINC000911647109 639699018 /nfs/dbraw/zinc/69/90/18/639699018.db2.gz PEUPZAAAOLUEDH-UHFFFAOYSA-N 2 0 239.363 0.906 20 0 BCADRP CC(C)(C[NH3+])CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000911672620 639699370 /nfs/dbraw/zinc/69/93/70/639699370.db2.gz FATGHHYWJPAPCK-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@]1(C(=O)Nc2cccc(C[NH3+])c2)C[C@H](O)C[NH2+]1 ZINC000911649534 639705388 /nfs/dbraw/zinc/70/53/88/639705388.db2.gz VCCWLLAFZOJVMV-AAEUAGOBSA-N 2 0 249.314 0.197 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000911652437 639709124 /nfs/dbraw/zinc/70/91/24/639709124.db2.gz SGFVJCIUGIPTJM-DTWKUNHWSA-N 2 0 231.365 0.017 20 0 BCADRP [NH3+][C@@H](C(=O)N1CC[C@@H]([NH3+])C1)C1CCCCCC1 ZINC000911652689 639710629 /nfs/dbraw/zinc/71/06/29/639710629.db2.gz WJTUXZPAEYRNAE-VXGBXAGGSA-N 2 0 239.363 0.844 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911674993 639714362 /nfs/dbraw/zinc/71/43/62/639714362.db2.gz ZGGXQDVMQGWLSU-RYUDHWBXSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911674994 639714696 /nfs/dbraw/zinc/71/46/96/639714696.db2.gz ZGGXQDVMQGWLSU-VXGBXAGGSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000911674857 639715701 /nfs/dbraw/zinc/71/57/01/639715701.db2.gz YBLKPSZASSIGAP-GMTAPVOTSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+]CCCNC(=O)c1ccccc1C[NH3+] ZINC000911677160 639716418 /nfs/dbraw/zinc/71/64/18/639716418.db2.gz MXPJYPKPOMGBLB-UHFFFAOYSA-N 2 0 221.304 0.485 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CC1CC([NH3+])C1 ZINC000911685127 639726257 /nfs/dbraw/zinc/72/62/57/639726257.db2.gz SJFUHTQKOGGMPL-XKGSQUFQSA-N 2 0 239.363 0.842 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC000911687162 639726408 /nfs/dbraw/zinc/72/64/08/639726408.db2.gz DFCFZMUDVPDAHM-SNVBAGLBSA-N 2 0 238.335 0.704 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]([NH3+])C[C@@H](C)CC ZINC000911688992 639727182 /nfs/dbraw/zinc/72/71/82/639727182.db2.gz XVILUTATHHMGNJ-QWRGUYRKSA-N 2 0 229.368 0.866 20 0 BCADRP CN(C(=O)C[C@@H]([NH3+])C(C)(C)C)C1CC[NH2+]CC1 ZINC000911692104 639727423 /nfs/dbraw/zinc/72/74/23/639727423.db2.gz LFNXUCLVSMOXOE-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH2+]CCCNC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911688337 639728240 /nfs/dbraw/zinc/72/82/40/639728240.db2.gz MYBHYUFRBZFDNS-SNVBAGLBSA-N 2 0 229.368 0.866 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N(C)C1CC[NH2+]CC1 ZINC000911692587 639728564 /nfs/dbraw/zinc/72/85/64/639728564.db2.gz TWGDYTMGJIKDGM-JQWIXIFHSA-N 2 0 241.379 0.960 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC000911697803 639733585 /nfs/dbraw/zinc/73/35/85/639733585.db2.gz DSIDYBBYLOJASK-NTZNESFSSA-N 2 0 237.347 0.387 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]C1 ZINC000911698419 639733671 /nfs/dbraw/zinc/73/36/71/639733671.db2.gz HFXHPNBQTPDTNK-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000911712732 639740527 /nfs/dbraw/zinc/74/05/27/639740527.db2.gz CZGLWGUOPKHPDV-SNVBAGLBSA-N 2 0 225.336 0.339 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911712837 639740562 /nfs/dbraw/zinc/74/05/62/639740562.db2.gz DTHKKDDJFQOUJQ-WHOHXGKFSA-N 2 0 237.347 0.100 20 0 BCADRP C[C@@H](NC(=O)C1([NH+](C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000911719714 639742178 /nfs/dbraw/zinc/74/21/78/639742178.db2.gz OASJOTGJEIYWJC-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C1CC(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000911721602 639744587 /nfs/dbraw/zinc/74/45/87/639744587.db2.gz WZUDHXPUZNUAET-QKEWWQLBSA-N 2 0 239.363 0.489 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911722886 639745378 /nfs/dbraw/zinc/74/53/78/639745378.db2.gz VZKJCHNBFSMIRF-WISYIIOYSA-N 2 0 237.347 0.182 20 0 BCADRP C[NH2+]C1CC(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000911721600 639746201 /nfs/dbraw/zinc/74/62/01/639746201.db2.gz WZUDHXPUZNUAET-DMOGRIERSA-N 2 0 239.363 0.489 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000911723491 639748069 /nfs/dbraw/zinc/74/80/69/639748069.db2.gz DSVXFUDEXNEXIF-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C ZINC000911725806 639751032 /nfs/dbraw/zinc/75/10/32/639751032.db2.gz YIPIJEJJLGWKHZ-HBNTYKKESA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]C[C@H]1C ZINC000911725453 639752456 /nfs/dbraw/zinc/75/24/56/639752456.db2.gz UUOSCGQNCXCSDI-VXGBXAGGSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911705669 639757708 /nfs/dbraw/zinc/75/77/08/639757708.db2.gz AGLCSOGXBWLJKU-NEPJUHHUSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911734128 639759279 /nfs/dbraw/zinc/75/92/79/639759279.db2.gz ITABPTAEZPIAOP-WDEREUQCSA-N 2 0 227.352 0.557 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911706745 639759395 /nfs/dbraw/zinc/75/93/95/639759395.db2.gz IGXCVOCEJLHMCT-NNYUYHANSA-N 2 0 237.347 0.243 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000911707144 639759639 /nfs/dbraw/zinc/75/96/39/639759639.db2.gz KVKUFIOKRXHPHM-WDEREUQCSA-N 2 0 241.379 0.947 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]C1)C12CCC(CC1)[NH2+]2 ZINC000911706716 639760974 /nfs/dbraw/zinc/76/09/74/639760974.db2.gz HLWBXACIYLFQIE-ZBOXLXRLSA-N 2 0 237.347 0.387 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(C)(C)C)C1 ZINC000911737272 639762671 /nfs/dbraw/zinc/76/26/71/639762671.db2.gz UHZGOIZFVFCUST-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]CCCCC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000911736966 639762694 /nfs/dbraw/zinc/76/26/94/639762694.db2.gz PDBDJXRGOIDGHS-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911739257 639765352 /nfs/dbraw/zinc/76/53/52/639765352.db2.gz SBYCVWYCBWDWSL-NWDGAFQWSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+]CCNC(=O)[C@](C)(C[NH3+])CC(C)C ZINC000911748335 639772470 /nfs/dbraw/zinc/77/24/70/639772470.db2.gz LCONCJXRMKHHCQ-NSHDSACASA-N 2 0 215.341 0.333 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000911748378 639773851 /nfs/dbraw/zinc/77/38/51/639773851.db2.gz LXXAKFHNBQXIPV-JTQLQIEISA-N 2 0 213.325 0.195 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]1)C12CCC(CC1)[NH2+]2 ZINC000911756083 639775659 /nfs/dbraw/zinc/77/56/59/639775659.db2.gz XFNRKEZIZFYMEF-SQLBVSGCSA-N 2 0 223.320 0.139 20 0 BCADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)NCC[NH2+]C ZINC000911749171 639775620 /nfs/dbraw/zinc/77/56/20/639775620.db2.gz XLTCHRVCIIGXCA-BDAKNGLRSA-N 2 0 201.314 0.086 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@@H]([NH3+])CC(C)C ZINC000911750345 639776049 /nfs/dbraw/zinc/77/60/49/639776049.db2.gz BBDZGVCBOVCCQQ-JTQLQIEISA-N 2 0 215.341 0.476 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911750978 639776784 /nfs/dbraw/zinc/77/67/84/639776784.db2.gz HJUDXEBLCVRYIG-NEPJUHHUSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCC[NH2+]C1CC1 ZINC000911752146 639778713 /nfs/dbraw/zinc/77/87/13/639778713.db2.gz LSKUNZSXSFHXIM-NXEZZACHSA-N 2 0 225.336 0.100 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911751545 639779503 /nfs/dbraw/zinc/77/95/03/639779503.db2.gz LSXYKROFGMBJMH-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911754480 639783924 /nfs/dbraw/zinc/78/39/24/639783924.db2.gz MKYZPSUBMDMPJM-WCQYABFASA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H]1C[C@H](C(=O)NC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000911754797 639784103 /nfs/dbraw/zinc/78/41/03/639784103.db2.gz OMASRZLDCOJVRH-GMTAPVOTSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000911733704 639788581 /nfs/dbraw/zinc/78/85/81/639788581.db2.gz ARMSOBKDXVMOST-AXFHLTTASA-N 2 0 225.336 0.311 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NC(C)(C)C[NH3+] ZINC000911762065 639789120 /nfs/dbraw/zinc/78/91/20/639789120.db2.gz KVFWWLLLYZSXDQ-DTWKUNHWSA-N 2 0 215.341 0.603 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NC(C)(C)C[NH3+] ZINC000911762985 639789291 /nfs/dbraw/zinc/78/92/91/639789291.db2.gz UUBIWUZANJIAHD-QMMMGPOBSA-N 2 0 215.341 0.603 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911763899 639790713 /nfs/dbraw/zinc/79/07/13/639790713.db2.gz OVTQVFCJTNXTBC-QJPTWQEYSA-N 2 0 239.363 0.631 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911763530 639791231 /nfs/dbraw/zinc/79/12/31/639791231.db2.gz JFEQWGWPIIBZRA-WOPDTQHZSA-N 2 0 239.363 0.346 20 0 BCADRP CC(C)(C[NH3+])NC(=O)C1=CCC[NH2+]CC1 ZINC000911763323 639792426 /nfs/dbraw/zinc/79/24/26/639792426.db2.gz WDYHCZLTTSNDMH-UHFFFAOYSA-N 2 0 211.309 0.150 20 0 BCADRP [NH3+]Cc1ccccc1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911766640 639793015 /nfs/dbraw/zinc/79/30/15/639793015.db2.gz GYHHMLMHOYACBV-LLVKDONJSA-N 2 0 247.342 0.875 20 0 BCADRP CCCN(C(=O)CC1CC([NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000911767393 639793132 /nfs/dbraw/zinc/79/31/32/639793132.db2.gz LBZZSFKZANREEQ-MCIGGMRASA-N 2 0 239.363 0.714 20 0 BCADRP CCCN(C(=O)C1CC([NH2+]C)C1)[C@H]1CC[NH2+]C1 ZINC000911769902 639793632 /nfs/dbraw/zinc/79/36/32/639793632.db2.gz ZUEJPRFDKJQDSC-MCIGGMRASA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911774440 639794828 /nfs/dbraw/zinc/79/48/28/639794828.db2.gz ICRQXSQWUXOSGI-VXGBXAGGSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911813905 639802299 /nfs/dbraw/zinc/80/22/99/639802299.db2.gz PKFXRNYEAAUFAN-WISYIIOYSA-N 2 0 239.363 0.332 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911813906 639802638 /nfs/dbraw/zinc/80/26/38/639802638.db2.gz PKFXRNYEAAUFAN-WYUUTHIRSA-N 2 0 239.363 0.332 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911814471 639803296 /nfs/dbraw/zinc/80/32/96/639803296.db2.gz RWQXOWWYKCLICQ-KXUCPTDWSA-N 2 0 213.325 0.071 20 0 BCADRP C[NH2+]C1CCN(C(=O)C2([NH2+]C)CCC2)CC1 ZINC000911787278 639806076 /nfs/dbraw/zinc/80/60/76/639806076.db2.gz QJKAQFZPOFCFIZ-UHFFFAOYSA-N 2 0 225.336 0.339 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911788879 639806121 /nfs/dbraw/zinc/80/61/21/639806121.db2.gz SHAZPHISFRVDFX-HBNTYKKESA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]C1CCN(C(=O)C[C@H]([NH3+])C(C)(C)C)CC1 ZINC000911787830 639806192 /nfs/dbraw/zinc/80/61/92/639806192.db2.gz WIFZZDRUWZITQE-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP CN(C(=O)C12CCC(CC1)[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000911789888 639806956 /nfs/dbraw/zinc/80/69/56/639806956.db2.gz YFYGXJMXXVAJJH-SQLBVSGCSA-N 2 0 223.320 0.091 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000035663370 639811673 /nfs/dbraw/zinc/81/16/73/639811673.db2.gz MIGYCXIDUDGFHM-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccccc2C[NH3+])C[C@H](C)[NH2+]1 ZINC000911795721 639819114 /nfs/dbraw/zinc/81/91/14/639819114.db2.gz KUISYYGHJAFFJN-PHIMTYICSA-N 2 0 247.342 0.968 20 0 BCADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)C[C@H](C)[NH2+]1 ZINC000911795024 639819462 /nfs/dbraw/zinc/81/94/62/639819462.db2.gz GXVHWKBZAFHNIE-AOOOYVTPSA-N 2 0 225.336 0.289 20 0 BCADRP C[C@H]1CN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C[C@H](C)[NH2+]1 ZINC000911797011 639819525 /nfs/dbraw/zinc/81/95/25/639819525.db2.gz PVJJVLNFPIHOFJ-KQXIARHKSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[C@@H](C)[NH2+]1 ZINC000911794493 639819592 /nfs/dbraw/zinc/81/95/92/639819592.db2.gz GAVSTVWVFCPDNM-RMPHRYRLSA-N 2 0 237.347 0.336 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)C1CC1 ZINC000911798984 639821227 /nfs/dbraw/zinc/82/12/27/639821227.db2.gz DFMRLLFTKDISLZ-XZUYRWCXSA-N 2 0 237.347 0.086 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000911799170 639821394 /nfs/dbraw/zinc/82/13/94/639821394.db2.gz FVWHKRTUPHYFDA-SECBINFHSA-N 2 0 245.392 0.455 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C1=CCC[NH2+]CC1 ZINC000911800897 639822971 /nfs/dbraw/zinc/82/29/71/639822971.db2.gz ZLFDBNQKPREQOR-UHFFFAOYSA-N 2 0 239.363 0.930 20 0 BCADRP C[NH2+]CCCCC(=O)N(C)[C@@H](C)C[NH3+] ZINC000911809936 639830471 /nfs/dbraw/zinc/83/04/71/639830471.db2.gz LXEBVBBYBVTYTP-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)C1=CCC[NH2+]CC1 ZINC000911811547 639832487 /nfs/dbraw/zinc/83/24/87/639832487.db2.gz CCUWIXKHRFYTEY-VIFPVBQESA-N 2 0 211.309 0.102 20 0 BCADRP C[C@@H]1C[C@H](C(=O)N2CC[NH2+][C@H](C)C2)CC[NH2+]1 ZINC000911811456 639833424 /nfs/dbraw/zinc/83/34/24/639833424.db2.gz PTSHAUJFFUAXCL-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+]CCCCC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000911813055 639834078 /nfs/dbraw/zinc/83/40/78/639834078.db2.gz KSJHBJRJSGFHLI-LLVKDONJSA-N 2 0 229.368 0.866 20 0 BCADRP C[NH2+]CCCCC(=O)N[C@H](C[NH3+])CC(C)C ZINC000911813056 639834428 /nfs/dbraw/zinc/83/44/28/639834428.db2.gz KSJHBJRJSGFHLI-NSHDSACASA-N 2 0 229.368 0.866 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000911819464 639836502 /nfs/dbraw/zinc/83/65/02/639836502.db2.gz DMJYOZHMCQQABX-GRYCIOLGSA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911827901 639839460 /nfs/dbraw/zinc/83/94/60/639839460.db2.gz XUXBPVQXDRPXNE-ZRUFSTJUSA-N 2 0 225.336 0.226 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)C1=CCC[NH2+]CC1 ZINC000911829397 639840713 /nfs/dbraw/zinc/84/07/13/639840713.db2.gz ALPOCVPVRKRSJY-ZDUSSCGKSA-N 2 0 239.363 0.786 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CCSCCC[NH3+] ZINC000911828949 639841521 /nfs/dbraw/zinc/84/15/21/639841521.db2.gz GUGNXGDANQKRIF-JTQLQIEISA-N 2 0 247.408 0.558 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000911831639 639842384 /nfs/dbraw/zinc/84/23/84/639842384.db2.gz MFQDCCMUSJFKGV-WZRBSPASSA-N 2 0 241.379 0.722 20 0 BCADRP C[NH2+]CCCCC(=O)N[C@H](C[NH3+])C1CC1 ZINC000911831008 639842579 /nfs/dbraw/zinc/84/25/79/639842579.db2.gz AZVXYNXYSWQUGK-SNVBAGLBSA-N 2 0 213.325 0.230 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)CC(C)(C)C[NH3+] ZINC000911832004 639843585 /nfs/dbraw/zinc/84/35/85/639843585.db2.gz MSZLXJBYFADQQL-LBPRGKRZSA-N 2 0 229.368 0.851 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911832744 639843626 /nfs/dbraw/zinc/84/36/26/639843626.db2.gz IHUCYMGHEXFUOA-UWVGGRQHSA-N 2 0 245.392 0.310 20 0 BCADRP CC(C)(C[NH3+])CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911833991 639844822 /nfs/dbraw/zinc/84/48/22/639844822.db2.gz NYIVUAZTPKLKQK-VIFPVBQESA-N 2 0 213.325 0.215 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911833324 639845147 /nfs/dbraw/zinc/84/51/47/639845147.db2.gz KRVJWZFYDZWKED-NWDGAFQWSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CC1CC([NH3+])C1 ZINC000911833674 639845341 /nfs/dbraw/zinc/84/53/41/639845341.db2.gz ZQHVITNIZITNFG-XIVSLSHWSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)(C[NH3+])CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000911833990 639845816 /nfs/dbraw/zinc/84/58/16/639845816.db2.gz NYIVUAZTPKLKQK-SECBINFHSA-N 2 0 213.325 0.215 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911836582 639846540 /nfs/dbraw/zinc/84/65/40/639846540.db2.gz POGFNGWDTATJSN-FXPVBKGRSA-N 2 0 213.325 0.071 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[C@H]1[NH3+] ZINC000911818005 639850091 /nfs/dbraw/zinc/85/00/91/639850091.db2.gz KLVPTYNZFJNJKV-IYKVGLELSA-N 2 0 237.347 0.323 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911817499 639850715 /nfs/dbraw/zinc/85/07/15/639850715.db2.gz DOSBETNWEXLPBJ-NNYUYHANSA-N 2 0 239.363 0.617 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911866066 639851158 /nfs/dbraw/zinc/85/11/58/639851158.db2.gz ZNEQNYZHRMOLAY-RKDXNWHRSA-N 2 0 213.325 0.025 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C1CC([NH2+]C)C1 ZINC000911864560 639851854 /nfs/dbraw/zinc/85/18/54/639851854.db2.gz RKKKIUDCADDQER-ILDUYXDCSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911867133 639851892 /nfs/dbraw/zinc/85/18/92/639851892.db2.gz GMFQLUGKFDCZFA-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911867131 639851985 /nfs/dbraw/zinc/85/19/85/639851985.db2.gz GMFQLUGKFDCZFA-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911868820 639852804 /nfs/dbraw/zinc/85/28/04/639852804.db2.gz SGQKZOMOZUWRRE-IRCOFANPSA-N 2 0 237.347 0.337 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911868821 639853407 /nfs/dbraw/zinc/85/34/07/639853407.db2.gz SGQKZOMOZUWRRE-NNYUYHANSA-N 2 0 237.347 0.337 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CC[NH2+]CC1(C)C ZINC000911845809 639854692 /nfs/dbraw/zinc/85/46/92/639854692.db2.gz DJUJQZJZIMJDKD-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C1([NH+](C)C)CC1 ZINC000911872340 639854782 /nfs/dbraw/zinc/85/47/82/639854782.db2.gz YGCPYHDAVXEWAC-LLVKDONJSA-N 2 0 241.379 0.912 20 0 BCADRP C[NH2+]CCCCC(=O)N1CC[NH2+]CC1(C)C ZINC000911847708 639856663 /nfs/dbraw/zinc/85/66/63/639856663.db2.gz SMEPVIGKOXCRQR-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP O=C([C@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911852322 639857976 /nfs/dbraw/zinc/85/79/76/639857976.db2.gz ODLNYEYUIGSYDD-FHUSYTEZSA-N 2 0 249.358 0.195 20 0 BCADRP C[NH+](C)C1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000911852354 639859700 /nfs/dbraw/zinc/85/97/00/639859700.db2.gz ORKDOHQTYGETBN-MNOVXSKESA-N 2 0 237.347 0.434 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000911853213 639860631 /nfs/dbraw/zinc/86/06/31/639860631.db2.gz YAHUGHJDMMVIEH-UPOSSJBDSA-N 2 0 237.347 0.337 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911878486 639864767 /nfs/dbraw/zinc/86/47/67/639864767.db2.gz HHVUVBUAZOPRSP-WYUUTHIRSA-N 2 0 239.363 0.476 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C1CC([NH2+]C)C1 ZINC000911878432 639865444 /nfs/dbraw/zinc/86/54/44/639865444.db2.gz GAJPBFAJRZYLSP-HSOILSAZSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H](C(=O)N[C@]1(C)C[NH+]2CCC1CC2)[NH+](C)C ZINC000912375488 640046477 /nfs/dbraw/zinc/04/64/77/640046477.db2.gz XEIBTKUWWMTCPV-ZWNOBZJWSA-N 2 0 239.363 0.537 20 0 BCADRP Cn1cc(CC[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cn1 ZINC000931439236 640205019 /nfs/dbraw/zinc/20/50/19/640205019.db2.gz NLKKDFAMJWMVDR-KGLIPLIRSA-N 2 0 248.374 0.846 20 0 BCADRP CC[C@@H](CO)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931480257 640233627 /nfs/dbraw/zinc/23/36/27/640233627.db2.gz QVLYOETUPARGHT-NSHDSACASA-N 2 0 230.352 0.146 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912916475 640239615 /nfs/dbraw/zinc/23/96/15/640239615.db2.gz QBXHXMGMSLGYPR-LBPRGKRZSA-N 2 0 239.363 0.635 20 0 BCADRP COC[C@H](O)CN1CCc2[nH+]ccc(N)c2C1 ZINC000931512064 640241893 /nfs/dbraw/zinc/24/18/93/640241893.db2.gz TYTSKJWUUIECOU-SECBINFHSA-N 2 0 237.303 0.029 20 0 BCADRP COC[C@@H](O)CN1CCc2[nH+]ccc(N)c2C1 ZINC000931512065 640243920 /nfs/dbraw/zinc/24/39/20/640243920.db2.gz TYTSKJWUUIECOU-VIFPVBQESA-N 2 0 237.303 0.029 20 0 BCADRP CC(=O)NCCC[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000931721428 640337830 /nfs/dbraw/zinc/33/78/30/640337830.db2.gz OWQFCKDASOBYDY-QWHCGFSZSA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@H](CO)[NH2+]C/C=C/C[NH2+][C@@H](CC)CO ZINC000931771430 640362422 /nfs/dbraw/zinc/36/24/22/640362422.db2.gz JHYIGWYIEHTCOL-MTJJXUSZSA-N 2 0 230.352 0.264 20 0 BCADRP COC[C@@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156350085 640439767 /nfs/dbraw/zinc/43/97/67/640439767.db2.gz NBQQTYNYGSKULV-DCAQKATOSA-N 2 0 216.325 0.066 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044649398 640446007 /nfs/dbraw/zinc/44/60/07/640446007.db2.gz NKTCGZZIQYTECC-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000044650620 640447168 /nfs/dbraw/zinc/44/71/68/640447168.db2.gz QFUFGAOWEFSGBD-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000044650765 640447287 /nfs/dbraw/zinc/44/72/87/640447287.db2.gz QDZUBWCUVGTKQU-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP CC[NH2+]CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000044650400 640448264 /nfs/dbraw/zinc/44/82/64/640448264.db2.gz OVWGJCOFYKWPNH-UHFFFAOYSA-N 2 0 225.336 0.150 20 0 BCADRP CNC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000044987639 640478951 /nfs/dbraw/zinc/47/89/51/640478951.db2.gz UUQXQBGMQDQPKO-FGWVZKOKSA-N 2 0 225.336 0.337 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000225865731 640712869 /nfs/dbraw/zinc/71/28/69/640712869.db2.gz CISVCRYDICWQSD-WDEREUQCSA-N 2 0 216.325 0.055 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000877104317 640751791 /nfs/dbraw/zinc/75/17/91/640751791.db2.gz AAGCUHHQEPILRE-SECBINFHSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)C1([NH2+]C2CC2)CCC1 ZINC000877104881 640757585 /nfs/dbraw/zinc/75/75/85/640757585.db2.gz FUUSCGSTJIOARP-VIFPVBQESA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)C1([NH2+]C2CC2)CCC1 ZINC000877104879 640759040 /nfs/dbraw/zinc/75/90/40/640759040.db2.gz FUUSCGSTJIOARP-SECBINFHSA-N 2 0 225.336 0.467 20 0 BCADRP C[NH2+][C@@H]1CCN(CCCCCCO)C1 ZINC000226414267 640761721 /nfs/dbraw/zinc/76/17/21/640761721.db2.gz XYWONPIZKPWWDH-LLVKDONJSA-N 2 0 200.326 0.833 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC000226539943 640773647 /nfs/dbraw/zinc/77/36/47/640773647.db2.gz VYXREODAAHPIOT-ZYHUDNBSSA-N 2 0 222.336 0.632 20 0 BCADRP CC(C)[C@H](CCO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000227010893 640809722 /nfs/dbraw/zinc/80/97/22/640809722.db2.gz UBZWRZXEOATGBO-STQMWFEESA-N 2 0 244.379 0.440 20 0 BCADRP C[NH+]1CCC(C[NH2+]C[C@@]2(O)CCOC2)CC1 ZINC000227120401 640816747 /nfs/dbraw/zinc/81/67/47/640816747.db2.gz GERCZPWOKXBZCT-LBPRGKRZSA-N 2 0 228.336 0.069 20 0 BCADRP CCNC(=[NH2+])NCC1(C)CC[NH+](C)CC1 ZINC000227197300 640819710 /nfs/dbraw/zinc/81/97/10/640819710.db2.gz TZCRSDZRIWAJMT-UHFFFAOYSA-N 2 0 212.341 0.852 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000228532290 640878575 /nfs/dbraw/zinc/87/85/75/640878575.db2.gz XTSSTOLYHNXFKC-GHMZBOCLSA-N 2 0 225.336 0.324 20 0 BCADRP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229257138 640940023 /nfs/dbraw/zinc/94/00/23/640940023.db2.gz OEDGSFOZYDSVSH-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[C@H]([NH3+])c1cn(CC[NH+](C)C)nn1 ZINC000229959020 640996102 /nfs/dbraw/zinc/99/61/02/640996102.db2.gz ZLZZCTLKUQLBNX-VIFPVBQESA-N 2 0 211.313 0.640 20 0 BCADRP C[C@@H](CNC(=O)C[C@@H]([NH3+])C1CC1)[N@H+](C)C1CC1 ZINC000230063702 641010783 /nfs/dbraw/zinc/01/07/83/641010783.db2.gz XQIGCUQMWZELHN-JOYOIKCWSA-N 2 0 239.363 0.713 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000230063789 641011606 /nfs/dbraw/zinc/01/16/06/641011606.db2.gz WKKSMHLICHUMDT-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000062076423 641018150 /nfs/dbraw/zinc/01/81/50/641018150.db2.gz WFDUTLASPTWLTF-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH3+])c1 ZINC000230418623 641054337 /nfs/dbraw/zinc/05/43/37/641054337.db2.gz NKZSBJZSUTZHMI-CYBMUJFWSA-N 2 0 247.342 0.969 20 0 BCADRP C[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)[NH+](C)C ZINC000062896963 641105175 /nfs/dbraw/zinc/10/51/75/641105175.db2.gz CSMBBSLHTTURCE-GXSJLCMTSA-N 2 0 213.325 0.052 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062889245 641106605 /nfs/dbraw/zinc/10/66/05/641106605.db2.gz AOKGITRHDLGVTH-CYBMUJFWSA-N 2 0 241.379 0.834 20 0 BCADRP CC(C)([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973318 641113641 /nfs/dbraw/zinc/11/36/41/641113641.db2.gz TYXJYVLSSLZBKB-LLVKDONJSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973397 641114033 /nfs/dbraw/zinc/11/40/33/641114033.db2.gz FPSSOXBMARVRQN-MNOVXSKESA-N 2 0 225.336 0.420 20 0 BCADRP C[NH+](C)CC1CC[NH+](Cc2cnc(N)cn2)CC1 ZINC000231296910 641158166 /nfs/dbraw/zinc/15/81/66/641158166.db2.gz UBYYPLSDIMKDDK-UHFFFAOYSA-N 2 0 249.362 0.832 20 0 BCADRP C[NH+](C)CCOCC[NH2+]Cc1ccoc1 ZINC000231676441 641193676 /nfs/dbraw/zinc/19/36/76/641193676.db2.gz CQQLHURRXWZYJE-UHFFFAOYSA-N 2 0 212.293 0.947 20 0 BCADRP C[N@H+](C[C@H](O)CC(F)(F)F)C1CC([NH3+])C1 ZINC000307943292 641199068 /nfs/dbraw/zinc/19/90/68/641199068.db2.gz SBSBSXJKMMXFQS-KAVNDROISA-N 2 0 226.242 0.721 20 0 BCADRP O=C(NCCN1CCC1)c1cc2c[nH]ccc-2n1 ZINC000935045361 641324465 /nfs/dbraw/zinc/32/44/65/641324465.db2.gz IJCASXWYYBNFGL-UHFFFAOYSA-N 2 0 244.298 0.998 20 0 BCADRP C[C@H](O)[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929697788 641405885 /nfs/dbraw/zinc/40/58/85/641405885.db2.gz VDFIXAATMBOGRJ-AVGNSLFASA-N 2 0 242.363 0.146 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC12CC[NH+](CC1)C2 ZINC000913629069 641432570 /nfs/dbraw/zinc/43/25/70/641432570.db2.gz RAQLUOWTTWIXDM-UHFFFAOYSA-N 2 0 225.336 0.291 20 0 BCADRP CC(C)NC(=[NH2+])NC[C@@H](C)[N@H+](C)C1CC1 ZINC000221887823 641519193 /nfs/dbraw/zinc/51/91/93/641519193.db2.gz MRRBHPPWNYNIEI-SECBINFHSA-N 2 0 212.341 0.991 20 0 BCADRP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000714244327 711504114 /nfs/dbraw/zinc/50/41/14/711504114.db2.gz HONQEYXNQFYDHP-VLEAKVRGSA-N 2 0 246.376 0.422 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000156150980 641596942 /nfs/dbraw/zinc/59/69/42/641596942.db2.gz CJBNMXFCDQRIMV-GRYCIOLGSA-N 2 0 241.379 0.946 20 0 BCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2([NH3+])CC2)C1 ZINC000572833660 641614145 /nfs/dbraw/zinc/61/41/45/641614145.db2.gz BHBUPWOXQVLCFX-QWRGUYRKSA-N 2 0 237.347 0.420 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000157846985 641624807 /nfs/dbraw/zinc/62/48/07/641624807.db2.gz CSBZQVLPBFQWOV-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000914315613 641638011 /nfs/dbraw/zinc/63/80/11/641638011.db2.gz WDUNGMYMHYRMIR-GHMZBOCLSA-N 2 0 240.351 0.084 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089717703 642021123 /nfs/dbraw/zinc/02/11/23/642021123.db2.gz AALHSEFIKWTECB-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CO)[C@@H](C)C1 ZINC000930001220 642138485 /nfs/dbraw/zinc/13/84/85/642138485.db2.gz SCIZLDVEADZFJO-TUAOUCFPSA-N 2 0 230.352 0.002 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)CO)[C@@H](C)C1 ZINC000930000856 642140783 /nfs/dbraw/zinc/14/07/83/642140783.db2.gz SCIZLDVEADZFJO-SDDRHHMPSA-N 2 0 230.352 0.002 20 0 BCADRP CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031585582 642340625 /nfs/dbraw/zinc/34/06/25/642340625.db2.gz ZZRRJEGHCORECZ-LLVKDONJSA-N 2 0 225.336 0.149 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+]1C ZINC000924022929 642371611 /nfs/dbraw/zinc/37/16/11/642371611.db2.gz UXLRZHLRTTXTDJ-WDEREUQCSA-N 2 0 240.351 0.084 20 0 BCADRP C[NH+](C)CCCNC(=O)CCC1CC[NH2+]CC1 ZINC000050940215 642381249 /nfs/dbraw/zinc/38/12/49/642381249.db2.gz JAAGSMMWHJODOZ-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001021906606 642452902 /nfs/dbraw/zinc/45/29/02/642452902.db2.gz RXRQHRWFTQUMRT-GRYCIOLGSA-N 2 0 239.363 0.726 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)CCCCCC[NH3+] ZINC000237597247 642720359 /nfs/dbraw/zinc/72/03/59/642720359.db2.gz NXTXBBCPHJKIAD-SNVBAGLBSA-N 2 0 215.341 0.701 20 0 BCADRP CCOC[C@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000068953512 642814605 /nfs/dbraw/zinc/81/46/05/642814605.db2.gz MERLSXFQWDGPCF-LLVKDONJSA-N 2 0 216.325 0.055 20 0 BCADRP CC[NH2+]CC1CC[NH+](C[C@H](O)COCC)CC1 ZINC000069280283 642846233 /nfs/dbraw/zinc/84/62/33/642846233.db2.gz PQUJXIWVHUINRL-ZDUSSCGKSA-N 2 0 244.379 0.705 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010384178 642863946 /nfs/dbraw/zinc/86/39/46/642863946.db2.gz KPNNNSZZMBUWAM-RYUDHWBXSA-N 2 0 239.363 0.680 20 0 BCADRP [NH3+]CCC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000069730189 642898299 /nfs/dbraw/zinc/89/82/99/642898299.db2.gz CTRWKNCSVAMVOJ-SECBINFHSA-N 2 0 240.269 0.970 20 0 BCADRP C[NH2+]CCN(C)C(=O)CCCCCC[NH3+] ZINC000069803240 642916880 /nfs/dbraw/zinc/91/68/80/642916880.db2.gz ODYCEYCVBICZOS-UHFFFAOYSA-N 2 0 215.341 0.573 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC(C)(C)[NH+](C)C ZINC000069839810 642921987 /nfs/dbraw/zinc/92/19/87/642921987.db2.gz XIPXVMSFLLXDCF-SECBINFHSA-N 2 0 215.341 0.570 20 0 BCADRP CC(C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001018616243 643004145 /nfs/dbraw/zinc/00/41/45/643004145.db2.gz LQHCUTXHFITOPB-NWDGAFQWSA-N 2 0 239.363 0.680 20 0 BCADRP COC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000070589080 643044522 /nfs/dbraw/zinc/04/45/22/643044522.db2.gz MFNGLCOSSYTEAE-YATPEIPISA-N 2 0 228.336 0.209 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000655505057 643268932 /nfs/dbraw/zinc/26/89/32/643268932.db2.gz PCPVYTIWLMAMKJ-RNFRBKRXSA-N 2 0 239.241 0.134 20 0 BCADRP CCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186205 643283817 /nfs/dbraw/zinc/28/38/17/643283817.db2.gz KZFDVMXJGLZYHS-LBPRGKRZSA-N 2 0 239.363 0.396 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000306113862 643301356 /nfs/dbraw/zinc/30/13/56/643301356.db2.gz XRBNYSRTUXTHNK-LBPRGKRZSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000082679992 643365645 /nfs/dbraw/zinc/36/56/45/643365645.db2.gz OLSKMGRLEASOHR-IONNQARKSA-N 2 0 240.269 0.969 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](CO)C2)CC1 ZINC000082946412 643390124 /nfs/dbraw/zinc/39/01/24/643390124.db2.gz UTSICIVHWSYRDX-LBPRGKRZSA-N 2 0 212.337 0.642 20 0 BCADRP CC(C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001021044407 643394138 /nfs/dbraw/zinc/39/41/38/643394138.db2.gz MPXPXBBDCWSFCU-IJLUTSLNSA-N 2 0 239.363 0.583 20 0 BCADRP CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001021045302 643395096 /nfs/dbraw/zinc/39/50/96/643395096.db2.gz ANBXFAUJJKIMKZ-XYPYZODXSA-N 2 0 225.336 0.339 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000069721142 643449604 /nfs/dbraw/zinc/44/96/04/643449604.db2.gz JWHBAOCGQNSJIU-MNOVXSKESA-N 2 0 216.325 0.197 20 0 BCADRP c1ccc(CN2CC[NH2+]CC[NH2+]CC2)nc1 ZINC000196023726 643451150 /nfs/dbraw/zinc/45/11/50/643451150.db2.gz WPEDAZRJNPRCPB-UHFFFAOYSA-N 2 0 220.320 0.076 20 0 BCADRP CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001032315806 643493925 /nfs/dbraw/zinc/49/39/25/643493925.db2.gz WYHGQZBBJZDLLP-SRVKXCTJSA-N 2 0 237.347 0.386 20 0 BCADRP CC[NH2+]CC(=O)N(CC[NH+](C)C)CC(C)C ZINC000044650640 643548771 /nfs/dbraw/zinc/54/87/71/643548771.db2.gz FFXCAGPHEOEHCB-UHFFFAOYSA-N 2 0 229.368 0.642 20 0 BCADRP CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970879490 643583927 /nfs/dbraw/zinc/58/39/27/643583927.db2.gz ZCSJNWRVVROHTB-MNOVXSKESA-N 2 0 239.363 0.395 20 0 BCADRP CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970879492 643585970 /nfs/dbraw/zinc/58/59/70/643585970.db2.gz ZCSJNWRVVROHTB-WDEREUQCSA-N 2 0 239.363 0.395 20 0 BCADRP CCCNC(=O)CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000084221175 643651779 /nfs/dbraw/zinc/65/17/79/643651779.db2.gz XMPGSXFHLKWICO-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP CC[NH2+]CCNC(=O)CCCCCC[NH3+] ZINC000236893408 643697328 /nfs/dbraw/zinc/69/73/28/643697328.db2.gz ONZMUJDLVPCWIU-UHFFFAOYSA-N 2 0 215.341 0.621 20 0 BCADRP CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998730869 643719200 /nfs/dbraw/zinc/71/92/00/643719200.db2.gz LDWIPRFEHBXQQK-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000085373952 643750655 /nfs/dbraw/zinc/75/06/55/643750655.db2.gz DKZGFKGPFMZXLL-HCWSGVFWSA-N 2 0 239.363 0.890 20 0 BCADRP CCS(=O)(=O)CC[N@H+](C)C1CCC([NH3+])CC1 ZINC000085870160 643824096 /nfs/dbraw/zinc/82/40/96/643824096.db2.gz ZDOSQPQQPVTVMT-UHFFFAOYSA-N 2 0 248.392 0.623 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)NCC1([NH+](C)C)CC1 ZINC000922479064 644001039 /nfs/dbraw/zinc/00/10/39/644001039.db2.gz PJNLZHFAYMIYEY-JTQLQIEISA-N 2 0 242.367 0.330 20 0 BCADRP CCO[C@H](CN[C@@H]1C[N@H+](C)C[C@H]1C)C[NH+](C)C ZINC000922757757 644088373 /nfs/dbraw/zinc/08/83/73/644088373.db2.gz LSVRYJJIQSCPBN-JHJVBQTASA-N 2 0 243.395 0.493 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000186753140 644142271 /nfs/dbraw/zinc/14/22/71/644142271.db2.gz QJQQUOYFELTGDU-CYZMBNFOSA-N 2 0 247.342 0.801 20 0 BCADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCO ZINC000086500855 644144606 /nfs/dbraw/zinc/14/46/06/644144606.db2.gz YPODRGLJQTVOGU-GHMZBOCLSA-N 2 0 200.326 0.879 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CC[C@H](C)[NH3+] ZINC000193171008 644219433 /nfs/dbraw/zinc/21/94/33/644219433.db2.gz BZNPQUWRWUPTED-WDEREUQCSA-N 2 0 229.368 0.946 20 0 BCADRP COCC[N@H+](C)CCCNC(=O)CC[C@H](C)[NH3+] ZINC000193300575 644232402 /nfs/dbraw/zinc/23/24/02/644232402.db2.gz GOZJGYOLKPFFGU-NSHDSACASA-N 2 0 245.367 0.198 20 0 BCADRP CCOCC[C@H](O)C[NH+]1CCC([NH3+])CC1 ZINC000923277729 644308394 /nfs/dbraw/zinc/30/83/94/644308394.db2.gz ROXUHHJOINEMRX-NSHDSACASA-N 2 0 216.325 0.197 20 0 BCADRP CC(C)OCC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000923279477 644312107 /nfs/dbraw/zinc/31/21/07/644312107.db2.gz CCMCKCIGQQROPY-CHWSQXEVSA-N 2 0 244.379 0.833 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1CCC[NH2+]C1CC1 ZINC000923281324 644314436 /nfs/dbraw/zinc/31/44/36/644314436.db2.gz OWCIDGRTXYRWOI-LBPRGKRZSA-N 2 0 211.353 0.942 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923282433 644315316 /nfs/dbraw/zinc/31/53/16/644315316.db2.gz WCHYQWWWHUARQO-NEPJUHHUSA-N 2 0 239.363 0.178 20 0 BCADRP CSC[C@H](O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923281561 644316020 /nfs/dbraw/zinc/31/60/20/644316020.db2.gz MVMAAOJNLPXYJO-GFCCVEGCSA-N 2 0 244.404 0.927 20 0 BCADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000923282573 644317540 /nfs/dbraw/zinc/31/75/40/644317540.db2.gz VWEIZYOGXMNXIE-NEPJUHHUSA-N 2 0 230.352 0.301 20 0 BCADRP CCOCC[C@@H](O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000923282528 644317819 /nfs/dbraw/zinc/31/78/19/644317819.db2.gz VKBZOBVLSCVCOL-GHMZBOCLSA-N 2 0 216.325 0.055 20 0 BCADRP CCOCC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000923282533 644318129 /nfs/dbraw/zinc/31/81/29/644318129.db2.gz VKBZOBVLSCVCOL-WDEREUQCSA-N 2 0 216.325 0.055 20 0 BCADRP CCOCC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000923282768 644318573 /nfs/dbraw/zinc/31/85/73/644318573.db2.gz XQMTUKVHIACEIF-VXGBXAGGSA-N 2 0 230.352 0.445 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC[C@@H]1[NH3+] ZINC000923289035 644322333 /nfs/dbraw/zinc/32/23/33/644322333.db2.gz CXVULIMBFJAEJP-UTUOFQBUSA-N 3 0 239.363 0.034 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923289731 644324544 /nfs/dbraw/zinc/32/45/44/644324544.db2.gz LBCGEZZHODASPB-NWDGAFQWSA-N 2 0 230.352 0.709 20 0 BCADRP C[C@@H]1C[C@H](C)C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923300097 644326810 /nfs/dbraw/zinc/32/68/10/644326810.db2.gz NUAMXVJDVUWBEY-OSUNSFLBSA-N 2 0 212.337 0.815 20 0 BCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923291776 644328811 /nfs/dbraw/zinc/32/88/11/644328811.db2.gz UNJVEXFUSWMCFW-XQQFMLRXSA-N 2 0 244.379 0.689 20 0 BCADRP CSC[C@@H](O)CN1CCC[C@@H]1C[NH3+] ZINC000923292312 644329412 /nfs/dbraw/zinc/32/94/12/644329412.db2.gz HRHLEHHAVFWSBL-BDAKNGLRSA-N 2 0 204.339 0.133 20 0 BCADRP CCOCC[C@@H](O)CN1CCC[C@@H]1C[NH3+] ZINC000923293153 644329546 /nfs/dbraw/zinc/32/95/46/644329546.db2.gz OIDILROVKDLTEF-GHMZBOCLSA-N 2 0 216.325 0.197 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000923291920 644330306 /nfs/dbraw/zinc/33/03/06/644330306.db2.gz UKNRWNCXSCQKRN-RYUDHWBXSA-N 2 0 230.352 0.315 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1CCC[NH2+]C1CC1 ZINC000923295432 644331578 /nfs/dbraw/zinc/33/15/78/644331578.db2.gz WMXUGRNWIRXOFH-LBPRGKRZSA-N 2 0 211.353 0.812 20 0 BCADRP C[C@@](C[NH3+])([NH2+]CCO[C@H]1CCOC1)C1CC1 ZINC000923295758 644331795 /nfs/dbraw/zinc/33/17/95/644331795.db2.gz GLCLKUGFNGDBPV-RYUDHWBXSA-N 2 0 228.336 0.509 20 0 BCADRP CCOCCOCC[N@H+](C)CC(C)(C)C[NH3+] ZINC000923294930 644332315 /nfs/dbraw/zinc/33/23/15/644332315.db2.gz QNWKUYVZMCWZLY-UHFFFAOYSA-N 2 0 232.368 0.956 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000923295726 644332453 /nfs/dbraw/zinc/33/24/53/644332453.db2.gz FSZJIUBEKFTBFZ-MNOVXSKESA-N 2 0 218.341 0.347 20 0 BCADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923295919 644333089 /nfs/dbraw/zinc/33/30/89/644333089.db2.gz KHRAEVZGERWZDI-RYUDHWBXSA-N 3 0 241.379 0.328 20 0 BCADRP CC(C)COC[C@H](O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000923296308 644334382 /nfs/dbraw/zinc/33/43/82/644334382.db2.gz QKJHHLKWURZEMJ-CHWSQXEVSA-N 2 0 244.379 0.737 20 0 BCADRP CC(C)OC[C@@H](O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000923296033 644334539 /nfs/dbraw/zinc/33/45/39/644334539.db2.gz NLIMHIFEVXZPOW-NWDGAFQWSA-N 2 0 232.368 0.735 20 0 BCADRP CC[C@@H]1COCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923307627 644336723 /nfs/dbraw/zinc/33/67/23/644336723.db2.gz YRALWCZMKQMNME-VXGBXAGGSA-N 2 0 240.347 0.476 20 0 BCADRP CC[N@H+](C[C@@H]1CCOC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923307239 644338612 /nfs/dbraw/zinc/33/86/12/644338612.db2.gz QHVVIFKZJCLWEI-BJDJZHNGSA-N 2 0 228.336 0.195 20 0 BCADRP CC[C@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923301176 644338647 /nfs/dbraw/zinc/33/86/47/644338647.db2.gz PJNWXOGIWTYFAR-NWDGAFQWSA-N 2 0 240.347 0.476 20 0 BCADRP C[C@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923312373 644339968 /nfs/dbraw/zinc/33/99/68/644339968.db2.gz HNTRFGVFTRKGMI-QWRGUYRKSA-N 2 0 210.321 0.849 20 0 BCADRP CC1(C)[C@@H]2C[N@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@@H]21 ZINC000923313999 644340957 /nfs/dbraw/zinc/34/09/57/644340957.db2.gz OYJWZKDUVHFXDS-HHKYUTTNSA-N 2 0 210.321 0.425 20 0 BCADRP CC[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923305425 644341691 /nfs/dbraw/zinc/34/16/91/644341691.db2.gz IEOOIZGKTVIJKC-BJDJZHNGSA-N 2 0 212.337 0.959 20 0 BCADRP CCOC[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923315032 644344088 /nfs/dbraw/zinc/34/40/88/644344088.db2.gz CLMLWNPUNFPSTO-VOAKCMCISA-N 2 0 242.363 0.586 20 0 BCADRP C[N@H+](C[C@H]1CCOC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315734 644344338 /nfs/dbraw/zinc/34/43/38/644344338.db2.gz ZBSNNMLXIQOOCR-NEPJUHHUSA-N 2 0 240.347 0.333 20 0 BCADRP CC(C)OC1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923309282 644345551 /nfs/dbraw/zinc/34/55/51/644345551.db2.gz JJVFEEKIGAWDRW-DRZSPHRISA-N 2 0 242.363 0.726 20 0 BCADRP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCOC1 ZINC000923311056 644346055 /nfs/dbraw/zinc/34/60/55/644346055.db2.gz GDERFQOKEFEXQD-WDEREUQCSA-N 2 0 226.320 0.086 20 0 BCADRP C[C@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923309719 644346093 /nfs/dbraw/zinc/34/60/93/644346093.db2.gz ZIFLLCVQGCGBHJ-QWRGUYRKSA-N 2 0 210.321 0.707 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923328857 644347786 /nfs/dbraw/zinc/34/77/86/644347786.db2.gz XJGHHTIGBMQTGK-GFCCVEGCSA-N 2 0 242.363 0.459 20 0 BCADRP CCOCCOCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000923330858 644350646 /nfs/dbraw/zinc/35/06/46/644350646.db2.gz CPHVHGZRGYECBS-RWMBFGLXSA-N 2 0 242.363 0.709 20 0 BCADRP CCOCCOCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000923330860 644350722 /nfs/dbraw/zinc/35/07/22/644350722.db2.gz CPHVHGZRGYECBS-XQQFMLRXSA-N 2 0 242.363 0.709 20 0 BCADRP [NH3+]CCN(CCO)C[C@@H](O)CC1CCCC1 ZINC000923332985 644354426 /nfs/dbraw/zinc/35/44/26/644354426.db2.gz YTJNUBZWAMDILH-LBPRGKRZSA-N 2 0 230.352 0.181 20 0 BCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000923333194 644355654 /nfs/dbraw/zinc/35/56/54/644355654.db2.gz VLQVLOHXSBSURT-RWMBFGLXSA-N 2 0 244.379 0.689 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331683 644360436 /nfs/dbraw/zinc/36/04/36/644360436.db2.gz MSJMQMUFIRFRBC-QWHCGFSZSA-N 2 0 242.363 0.459 20 0 BCADRP CC[C@H]1C[N@H+](C[C@H](O)COC)CC[C@H]1[NH3+] ZINC000923343466 644363219 /nfs/dbraw/zinc/36/32/19/644363219.db2.gz BXYXYMQGJFHTTF-GARJFASQSA-N 2 0 216.325 0.053 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@@H](O)CSC)CC[C@H]1[NH3+] ZINC000923344316 644364487 /nfs/dbraw/zinc/36/44/87/644364487.db2.gz GHMBKYPGYNUVCM-GMTAPVOTSA-N 2 0 232.393 0.770 20 0 BCADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923357531 644364615 /nfs/dbraw/zinc/36/46/15/644364615.db2.gz XTAWLOZGFCJMBK-RYUDHWBXSA-N 3 0 239.363 0.036 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@@H](O)CSC)CC[C@@H]1[NH3+] ZINC000923344318 644364723 /nfs/dbraw/zinc/36/47/23/644364723.db2.gz GHMBKYPGYNUVCM-MXWKQRLJSA-N 2 0 232.393 0.770 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000923345869 644365905 /nfs/dbraw/zinc/36/59/05/644365905.db2.gz QVMBVYORMHYUJS-AGIUHOORSA-N 2 0 244.379 0.833 20 0 BCADRP FC(F)[C@H]1C[NH2+]CCN1CCC[NH2+]C1CC1 ZINC000923351522 644366653 /nfs/dbraw/zinc/36/66/53/644366653.db2.gz JBSPVIVCQIRVHB-SNVBAGLBSA-N 2 0 233.306 0.667 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1ccccc1OC(F)F ZINC000923352105 644369201 /nfs/dbraw/zinc/36/92/01/644369201.db2.gz LTXCAHLUJLMIHR-UHFFFAOYSA-N 2 0 245.273 0.664 20 0 BCADRP Cc1cccc(OCCNC(C[NH3+])C[NH3+])c1 ZINC000923353120 644369398 /nfs/dbraw/zinc/36/93/98/644369398.db2.gz TZYAWRZTZSWLET-UHFFFAOYSA-N 2 0 223.320 0.249 20 0 BCADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923354256 644370638 /nfs/dbraw/zinc/37/06/38/644370638.db2.gz BAQUTOMSDNEPBH-STQMWFEESA-N 2 0 244.379 0.691 20 0 BCADRP [NH3+]CC(C[NH3+])NC[C@H]1CCC2(CCC2)CO1 ZINC000923356334 644371702 /nfs/dbraw/zinc/37/17/02/644371702.db2.gz KZDCTFKQOVLTSL-LLVKDONJSA-N 2 0 227.352 0.211 20 0 BCADRP CC(C)OCC[C@@H](O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923355189 644373385 /nfs/dbraw/zinc/37/33/85/644373385.db2.gz HIMZHQYEFZQPEP-OLZOCXBDSA-N 2 0 244.379 0.833 20 0 BCADRP C[C@@H](O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000923356769 644374468 /nfs/dbraw/zinc/37/44/68/644374468.db2.gz KRFWSMXOOWQZTF-ZYHUDNBSSA-N 2 0 212.337 0.689 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923364226 644374560 /nfs/dbraw/zinc/37/45/60/644374560.db2.gz JXKLQNKVLCLTFP-YNEHKIRRSA-N 2 0 242.363 0.458 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923364221 644374795 /nfs/dbraw/zinc/37/47/95/644374795.db2.gz JXKLQNKVLCLTFP-FRRDWIJNSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923363734 644374827 /nfs/dbraw/zinc/37/48/27/644374827.db2.gz DRUPOWOEFBIWQD-TUAOUCFPSA-N 2 0 212.337 0.831 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923364219 644374939 /nfs/dbraw/zinc/37/49/39/644374939.db2.gz JXKLQNKVLCLTFP-AGIUHOORSA-N 2 0 242.363 0.458 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923364224 644376567 /nfs/dbraw/zinc/37/65/67/644376567.db2.gz JXKLQNKVLCLTFP-UPJWGTAASA-N 2 0 242.363 0.458 20 0 BCADRP CC[C@H](O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923366747 644378402 /nfs/dbraw/zinc/37/84/02/644378402.db2.gz QBWQIZHWVTZSMV-RYUDHWBXSA-N 2 0 212.337 0.833 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923366277 644379026 /nfs/dbraw/zinc/37/90/26/644379026.db2.gz JGKUUKKFLZTMAK-STQMWFEESA-N 2 0 242.363 0.459 20 0 BCADRP C[N@H+](CCc1nccs1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923372616 644380031 /nfs/dbraw/zinc/38/00/31/644380031.db2.gz IDKDSXUBYGWCNY-GUBZILKMSA-N 2 0 241.360 0.468 20 0 BCADRP CC(C)OC[C@@H](O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000923371276 644383471 /nfs/dbraw/zinc/38/34/71/644383471.db2.gz WTADKBGOHUEWRW-RYUDHWBXSA-N 2 0 244.379 0.750 20 0 BCADRP COC[C@H](O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000923360181 644383691 /nfs/dbraw/zinc/38/36/91/644383691.db2.gz XZVCPPUDQBWKLI-LLVKDONJSA-N 2 0 228.336 0.069 20 0 BCADRP CSC[C@@H](O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000923360135 644384566 /nfs/dbraw/zinc/38/45/66/644384566.db2.gz WKPUHMWCAHZRSD-VHSXEESVSA-N 2 0 218.366 0.379 20 0 BCADRP CC(C)COC[C@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC000923361645 644386960 /nfs/dbraw/zinc/38/69/60/644386960.db2.gz JTHJQJSNSHPGBG-HTAVTVPLSA-N 2 0 230.352 0.441 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000923374816 644388054 /nfs/dbraw/zinc/38/80/54/644388054.db2.gz CSVRVCCZLCOCCM-HBNTYKKESA-N 2 0 232.393 0.627 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000923374814 644390088 /nfs/dbraw/zinc/39/00/88/644390088.db2.gz CSVRVCCZLCOCCM-GARJFASQSA-N 2 0 232.393 0.627 20 0 BCADRP CCC[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000923375653 644390127 /nfs/dbraw/zinc/39/01/27/644390127.db2.gz OKSHGIBMPNIYMZ-NSHDSACASA-N 2 0 223.324 0.784 20 0 BCADRP COC[C@@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000923381492 644394432 /nfs/dbraw/zinc/39/44/32/644394432.db2.gz DOXPAEPRWMTMOQ-RHYQMDGZSA-N 2 0 230.352 0.299 20 0 BCADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)[C@@H]1CCCOC1 ZINC000923380813 644394694 /nfs/dbraw/zinc/39/46/94/644394694.db2.gz YAONCVAOFLRCHK-OSUNSFLBSA-N 2 0 228.336 0.242 20 0 BCADRP CC(C)COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923382283 644394794 /nfs/dbraw/zinc/39/47/94/644394794.db2.gz BQKYADUFQHPJOT-JHJVBQTASA-N 2 0 244.379 0.879 20 0 BCADRP COC[C@H](O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000923383821 644395790 /nfs/dbraw/zinc/39/57/90/644395790.db2.gz MSVKTRAKMHIRHM-VXGBXAGGSA-N 2 0 242.363 0.458 20 0 BCADRP COC[C@H](O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000923383784 644396551 /nfs/dbraw/zinc/39/65/51/644396551.db2.gz MSVKTRAKMHIRHM-NWDGAFQWSA-N 2 0 242.363 0.458 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000923383783 644396841 /nfs/dbraw/zinc/39/68/41/644396841.db2.gz MSVKTRAKMHIRHM-NEPJUHHUSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@H](O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000923383713 644397315 /nfs/dbraw/zinc/39/73/15/644397315.db2.gz LXEHUCBZHDWIRT-MNOVXSKESA-N 2 0 212.337 0.831 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000923386929 644397790 /nfs/dbraw/zinc/39/77/90/644397790.db2.gz LGERXDQVGLSZSK-SDDRHHMPSA-N 2 0 230.352 0.443 20 0 BCADRP CCO[C@@H]1C[N@H+](C[C@H](O)CSC)C[C@H]1C[NH3+] ZINC000923387460 644398421 /nfs/dbraw/zinc/39/84/21/644398421.db2.gz OJFZPLNUQHPXTK-OUAUKWLOSA-N 2 0 248.392 0.006 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000923392189 644400560 /nfs/dbraw/zinc/40/05/60/644400560.db2.gz IFOCFWGKTJFWIF-OPRDCNLKSA-N 2 0 218.366 0.522 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923413909 644416305 /nfs/dbraw/zinc/41/63/05/644416305.db2.gz JWJJLOUAQSJYCH-WOPDTQHZSA-N 2 0 228.336 0.068 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923414218 644417027 /nfs/dbraw/zinc/41/70/27/644417027.db2.gz KKNDQUIPQOCZGS-TUAOUCFPSA-N 2 0 244.404 0.784 20 0 BCADRP OCC[NH2+]C1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923414968 644417175 /nfs/dbraw/zinc/41/71/75/644417175.db2.gz XLNFNLYYKARWDQ-UHFFFAOYSA-N 2 0 241.379 0.175 20 0 BCADRP CO[C@H]1CN(CCC[NH2+]C2CC2)[C@](C)(C[NH3+])C1 ZINC000923413268 644417273 /nfs/dbraw/zinc/41/72/73/644417273.db2.gz VHXUIAYZNUUYNF-OLZOCXBDSA-N 2 0 241.379 0.567 20 0 BCADRP CCOCC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923429186 644421086 /nfs/dbraw/zinc/42/10/86/644421086.db2.gz RFKOUMCPDUTNKY-JHJVBQTASA-N 2 0 244.379 0.691 20 0 BCADRP C[C@H](O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923426884 644421134 /nfs/dbraw/zinc/42/11/34/644421134.db2.gz HRCNTADNTCHGON-NWDGAFQWSA-N 2 0 212.337 0.833 20 0 BCADRP CCN(C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CC[NH2+]C1 ZINC000923427073 644422083 /nfs/dbraw/zinc/42/20/83/644422083.db2.gz XZCVMZMTQZVYFN-NEPJUHHUSA-N 2 0 239.363 0.049 20 0 BCADRP C[N@@H+]1CCCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000084381678 644423314 /nfs/dbraw/zinc/42/33/14/644423314.db2.gz HMBGABXKCQEGGK-NSHDSACASA-N 2 0 225.336 0.150 20 0 BCADRP FC[C@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923421447 644423509 /nfs/dbraw/zinc/42/35/09/644423509.db2.gz BWMYWTKPQUEQGX-GHMZBOCLSA-N 2 0 228.311 0.656 20 0 BCADRP FC[C@@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923421450 644424524 /nfs/dbraw/zinc/42/45/24/644424524.db2.gz BWMYWTKPQUEQGX-WDEREUQCSA-N 2 0 228.311 0.656 20 0 BCADRP C[C@H]1COCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923432714 644426476 /nfs/dbraw/zinc/42/64/76/644426476.db2.gz IPJUJZRAGCWGJO-VXGBXAGGSA-N 2 0 240.347 0.333 20 0 BCADRP C[C@@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923432753 644426854 /nfs/dbraw/zinc/42/68/54/644426854.db2.gz JMKBEIGVYJGERS-VXGBXAGGSA-N 2 0 240.347 0.476 20 0 BCADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C[C@H]1CC[NH2+]C1 ZINC000923436573 644428638 /nfs/dbraw/zinc/42/86/38/644428638.db2.gz PFEGOJBLLFTOCD-BJDJZHNGSA-N 2 0 211.353 0.667 20 0 BCADRP C([C@H]1CCC[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455517 644434696 /nfs/dbraw/zinc/43/46/96/644434696.db2.gz VWAOXUKJEZUUMG-RWMBFGLXSA-N 2 0 223.364 0.670 20 0 BCADRP C([C@H]1CCCCO1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923460320 644437165 /nfs/dbraw/zinc/43/71/65/644437165.db2.gz MKRSOOFVMJOLTP-GFCCVEGCSA-N 2 0 227.352 0.050 20 0 BCADRP C[C@@H](c1ccccn1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923459692 644439570 /nfs/dbraw/zinc/43/95/70/644439570.db2.gz LPHPEGSWDIHGRZ-LBPRGKRZSA-N 2 0 234.347 0.637 20 0 BCADRP [NH3+][C@@H]1CC[C@H](CN2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000923454714 644444452 /nfs/dbraw/zinc/44/44/52/644444452.db2.gz NBEAXIDRHYVUJF-WUHRBBMRSA-N 2 0 223.364 0.798 20 0 BCADRP C[C@@H](c1cccnc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923462042 644447441 /nfs/dbraw/zinc/44/74/41/644447441.db2.gz BNRPHDSHHOHYLJ-LBPRGKRZSA-N 2 0 234.347 0.637 20 0 BCADRP C[C@@H]1C[N@H+](CCc2ccnn2C)CC[C@@H]1C[NH3+] ZINC000923489430 644464663 /nfs/dbraw/zinc/46/46/63/644464663.db2.gz JXFSYXWQSJSPKQ-VXGBXAGGSA-N 2 0 236.363 0.879 20 0 BCADRP CC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923490661 644466100 /nfs/dbraw/zinc/46/61/00/644466100.db2.gz FDGWIUBWIZOIFV-VWYCJHECSA-N 2 0 200.326 0.674 20 0 BCADRP CON1CC[C@H]([N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)C1=O ZINC000923492248 644467075 /nfs/dbraw/zinc/46/70/75/644467075.db2.gz MLLGRVKQUJLQNW-DCAQKATOSA-N 2 0 241.335 0.065 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ccnn2C)CC[C@H]1C[NH3+] ZINC000923491440 644467932 /nfs/dbraw/zinc/46/79/32/644467932.db2.gz RWYPOZOWDSNGIU-MNOVXSKESA-N 2 0 222.336 0.837 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923492862 644468123 /nfs/dbraw/zinc/46/81/23/644468123.db2.gz QKYNHINYOJWDOQ-AVGNSLFASA-N 2 0 244.379 0.691 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)CC[C@H]1C[NH3+] ZINC000923491510 644468644 /nfs/dbraw/zinc/46/86/44/644468644.db2.gz SNVDKYVNHNARGU-GRYCIOLGSA-N 2 0 249.362 0.682 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923491896 644468736 /nfs/dbraw/zinc/46/87/36/644468736.db2.gz KHCWSSAIOAEABK-XQHKEYJVSA-N 3 0 225.380 0.759 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923497079 644469493 /nfs/dbraw/zinc/46/94/93/644469493.db2.gz KTOQZLOPUIPRMQ-WDEREUQCSA-N 2 0 228.336 0.856 20 0 BCADRP [NH3+]CCCCCC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000187174867 644469740 /nfs/dbraw/zinc/46/97/40/644469740.db2.gz ATKNJCXOPLHYEH-JTQLQIEISA-N 2 0 213.325 0.374 20 0 BCADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC000923499729 644473020 /nfs/dbraw/zinc/47/30/20/644473020.db2.gz LSWZLNDVKHNLGU-AAEUAGOBSA-N 3 0 225.380 0.903 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886215 644473596 /nfs/dbraw/zinc/47/35/96/644473596.db2.gz WQHJFOOVSQJNNV-MXWKQRLJSA-N 2 0 216.325 0.053 20 0 BCADRP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923515273 644479607 /nfs/dbraw/zinc/47/96/07/644479607.db2.gz OMVYIVCOWAYJCX-UPJWGTAASA-N 2 0 244.379 0.547 20 0 BCADRP OC1(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCOCC1 ZINC000923516234 644480500 /nfs/dbraw/zinc/48/05/00/644480500.db2.gz WGAYVVUXNBBIJP-NWDGAFQWSA-N 2 0 240.347 0.069 20 0 BCADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H](C)O ZINC000087129163 644480823 /nfs/dbraw/zinc/48/08/23/644480823.db2.gz SKGXNIMVGOHHKD-ZJUUUORDSA-N 2 0 200.326 0.687 20 0 BCADRP COC(=O)CCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518933 644482194 /nfs/dbraw/zinc/48/21/94/644482194.db2.gz GTQJQHPVDJQVOH-WDEREUQCSA-N 2 0 226.320 0.481 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923529584 644484973 /nfs/dbraw/zinc/48/49/73/644484973.db2.gz AVXNZQNZYJKKIH-CHWSQXEVSA-N 2 0 223.364 0.956 20 0 BCADRP [NH3+]CCC[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000923527148 644484976 /nfs/dbraw/zinc/48/49/76/644484976.db2.gz YWXYTCHZGAEGHR-SNVBAGLBSA-N 2 0 227.308 0.156 20 0 BCADRP OC[C@@H]1CCCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000923530440 644487697 /nfs/dbraw/zinc/48/76/97/644487697.db2.gz IVIFYWTWXYETQZ-ZDUSSCGKSA-N 2 0 241.379 0.129 20 0 BCADRP NC(=O)C12CCC(CC1)[N@@H+]2CCCCCC[NH3+] ZINC000923532065 644489156 /nfs/dbraw/zinc/48/91/56/644489156.db2.gz YRRGNJBTTZQWHG-UHFFFAOYSA-N 2 0 239.363 0.988 20 0 BCADRP COC[C@@H]1COCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000923556443 644500285 /nfs/dbraw/zinc/50/02/85/644500285.db2.gz GZRVRVHDIUKIBS-NWDGAFQWSA-N 2 0 228.336 0.333 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164319 644512019 /nfs/dbraw/zinc/51/20/19/644512019.db2.gz CVTQCCMQAYXZGI-WAAKLRNESA-N 2 0 239.363 0.855 20 0 BCADRP O=C(C[C@@H]1CC[NH2+]C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000089747483 644564074 /nfs/dbraw/zinc/56/40/74/644564074.db2.gz ZBYAEIIPXFZMDY-WDEREUQCSA-N 2 0 237.347 0.339 20 0 BCADRP Cc1cc(N2CCC([NH+](C)C)CC2)nc(N)[nH+]1 ZINC000091015644 644610511 /nfs/dbraw/zinc/61/05/11/644610511.db2.gz NINUVMYFGHKHPN-UHFFFAOYSA-N 2 0 235.335 0.898 20 0 BCADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCOCCO ZINC000093514073 644694566 /nfs/dbraw/zinc/69/45/66/644694566.db2.gz VLRKYZKPGBKTLP-QWHCGFSZSA-N 2 0 244.379 0.896 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(C2CC2)C1 ZINC000250622495 644770671 /nfs/dbraw/zinc/77/06/71/644770671.db2.gz ABQALDPPKGBVKO-GMXVVIOVSA-N 2 0 223.364 0.940 20 0 BCADRP CC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000251909545 644830101 /nfs/dbraw/zinc/83/01/01/644830101.db2.gz XPFMTWQDJAVALZ-DCAQKATOSA-N 2 0 200.326 0.817 20 0 BCADRP C[C@H]1C[N@H+](CC(=O)N2CCCC2)CC[C@H]1C[NH3+] ZINC000251922696 644830826 /nfs/dbraw/zinc/83/08/26/644830826.db2.gz YBXYSARATSPUSO-RYUDHWBXSA-N 2 0 239.363 0.526 20 0 BCADRP CC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251909549 644830875 /nfs/dbraw/zinc/83/08/75/644830875.db2.gz XPFMTWQDJAVALZ-OUAUKWLOSA-N 2 0 200.326 0.817 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)NCC[NH+]1CCCC1 ZINC000304398205 644900825 /nfs/dbraw/zinc/90/08/25/644900825.db2.gz VHBVAXOBQAEMAG-NSHDSACASA-N 2 0 225.336 0.326 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000304414952 644905521 /nfs/dbraw/zinc/90/55/21/644905521.db2.gz YTWDGVGTCLHRAG-WDEREUQCSA-N 2 0 225.336 0.324 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253203207 644943840 /nfs/dbraw/zinc/94/38/40/644943840.db2.gz ZGXHTAFNRKJBLS-IJLUTSLNSA-N 2 0 230.352 0.301 20 0 BCADRP C[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1C[NH3+] ZINC000253188650 644944229 /nfs/dbraw/zinc/94/42/29/644944229.db2.gz JXGBKYYYKAHPQG-MXWKQRLJSA-N 2 0 225.336 0.134 20 0 BCADRP [NH3+][C@H](CC(=O)NCCC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000834848713 645149120 /nfs/dbraw/zinc/14/91/20/645149120.db2.gz HBXNBNKVVOQPJT-NWDGAFQWSA-N 2 0 239.363 0.762 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000834857632 645149995 /nfs/dbraw/zinc/14/99/95/645149995.db2.gz KKJPPXOMZOSJMP-CABZTGNLSA-N 2 0 243.326 0.192 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)C[C@@H](C)[NH2+]1 ZINC000841855085 645230180 /nfs/dbraw/zinc/23/01/80/645230180.db2.gz LTVMRFVTUGAFJP-KKZNHRDASA-N 2 0 225.336 0.323 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843326190 645283679 /nfs/dbraw/zinc/28/36/79/645283679.db2.gz FCJPSTVFDVVNRM-GFCCVEGCSA-N 2 0 235.331 0.541 20 0 BCADRP Cn1ncc(C[NH+]2CCC3(CC[NH2+]C3)CC2)n1 ZINC000843387814 645285018 /nfs/dbraw/zinc/28/50/18/645285018.db2.gz VKHDNHMEMPYBRL-UHFFFAOYSA-N 2 0 235.335 0.391 20 0 BCADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCF)CC1 ZINC000843389416 645287728 /nfs/dbraw/zinc/28/77/28/645287728.db2.gz TUXZCLXMUSJJPM-MNOVXSKESA-N 2 0 216.300 0.784 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000844187007 645315537 /nfs/dbraw/zinc/31/55/37/645315537.db2.gz BEZPWUWLZMVXOA-DGCLKSJQSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH+](C)Cc1ccnc(NC(=O)C[NH3+])c1 ZINC000844189129 645316071 /nfs/dbraw/zinc/31/60/71/645316071.db2.gz FZGJGKSEAUDKNX-UHFFFAOYSA-N 2 0 208.265 0.040 20 0 BCADRP [NH3+]CC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000844189349 645316236 /nfs/dbraw/zinc/31/62/36/645316236.db2.gz KVTHVISKUPHKBP-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000844188939 645316303 /nfs/dbraw/zinc/31/63/03/645316303.db2.gz CJMVXGGTWAESTD-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP CC[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000844187053 645317392 /nfs/dbraw/zinc/31/73/92/645317392.db2.gz CAMXFFRVCRKDKR-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cnn(C)n1 ZINC000926665775 645345306 /nfs/dbraw/zinc/34/53/06/645345306.db2.gz LXNUMCVSHDIFHL-MXWKQRLJSA-N 2 0 237.351 0.806 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C\CO ZINC000926688369 645357431 /nfs/dbraw/zinc/35/74/31/645357431.db2.gz HQJVHSYPOGGZPT-DEGWXDDOSA-N 2 0 210.321 0.465 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000926756280 645405566 /nfs/dbraw/zinc/40/55/66/645405566.db2.gz UOCHEZCRGXLUHI-UMRKGXGASA-N 2 0 237.347 0.180 20 0 BCADRP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1C[NH2+]CCOC1 ZINC000925493777 645719216 /nfs/dbraw/zinc/71/92/16/645719216.db2.gz ZEVXOJNIUGIWQR-CHWSQXEVSA-N 2 0 243.395 0.541 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000928436447 645757801 /nfs/dbraw/zinc/75/78/01/645757801.db2.gz GCJIPUCYEWADAZ-WOPDTQHZSA-N 2 0 241.379 0.781 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000928448035 645774524 /nfs/dbraw/zinc/77/45/24/645774524.db2.gz MPPCBGIDHMGUFN-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1CCC[C@@H]1[NH3+])C2 ZINC000877373081 645792816 /nfs/dbraw/zinc/79/28/16/645792816.db2.gz USBNVZKITPKCKT-SRRSOLGSSA-N 2 0 237.347 0.182 20 0 BCADRP CCNC(=[NH2+])NCC[N@H+](C)[C@@H](C)CC ZINC000221886654 645894373 /nfs/dbraw/zinc/89/43/73/645894373.db2.gz NIDWULUPFMTHQK-VIFPVBQESA-N 2 0 200.330 0.851 20 0 BCADRP O=C(NC1CC[NH2+]CC1)N[C@H]1CCC[NH2+]CC1 ZINC000929064541 645931370 /nfs/dbraw/zinc/93/13/70/645931370.db2.gz PIJAZJSBDCLGAF-JTQLQIEISA-N 2 0 240.351 0.180 20 0 BCADRP [NH3+]C1CCC(NC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000929065882 645931446 /nfs/dbraw/zinc/93/14/46/645931446.db2.gz ZSSBQXZHTHSLET-VQXHTEKXSA-N 2 0 240.351 0.308 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)N[C@@H]1CCC[NH2+]CC1 ZINC000929065197 645931791 /nfs/dbraw/zinc/93/17/91/645931791.db2.gz QGACCOXQXCICAE-MNOVXSKESA-N 2 0 240.351 0.180 20 0 BCADRP C[C@H](O)[C@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000929282137 646058419 /nfs/dbraw/zinc/05/84/19/646058419.db2.gz HLGQEVLBBDOQIQ-CMPLNLGQSA-N 2 0 230.352 0.002 20 0 BCADRP COCC(COC)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000929283919 646059294 /nfs/dbraw/zinc/05/92/94/646059294.db2.gz VQGVDRIBEKTMKD-UHFFFAOYSA-N 2 0 244.379 0.921 20 0 BCADRP CCOCCOCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000929312892 646073912 /nfs/dbraw/zinc/07/39/12/646073912.db2.gz OABZRWXHFVXUSK-RYUDHWBXSA-N 2 0 228.336 0.191 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@@H]1COC[C@@H]1C ZINC000924653218 646087059 /nfs/dbraw/zinc/08/70/59/646087059.db2.gz HTXKVYOOYYFCHC-NWDGAFQWSA-N 2 0 230.352 0.579 20 0 BCADRP C[C@@H](CCNC(=O)NC[C@H]1CC[N@@H+]1C)[NH+](C)C ZINC000925436033 646281267 /nfs/dbraw/zinc/28/12/67/646281267.db2.gz VVMIAJTZSQMZQF-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@@H](O)CO)C1 ZINC000929762599 646293687 /nfs/dbraw/zinc/29/36/87/646293687.db2.gz GMIGEVRJTGTORH-QWHCGFSZSA-N 2 0 242.363 0.003 20 0 BCADRP CCC[NH+]1CCC(N(C)C[C@H](O)CO)CC1 ZINC000929778274 646305413 /nfs/dbraw/zinc/30/54/13/646305413.db2.gz SFPVKRRHZHOARW-LBPRGKRZSA-N 2 0 230.352 0.146 20 0 BCADRP CC(C)[NH+](CCN[C@H]1C[NH2+]CCOC1)C(C)C ZINC000925509904 646308739 /nfs/dbraw/zinc/30/87/39/646308739.db2.gz PSPKHBAAMNXXMV-ZDUSSCGKSA-N 2 0 243.395 0.683 20 0 BCADRP CCC[NH+]1CCC(N[C@H]2C[NH2+]CCOC2)CC1 ZINC000925511469 646311558 /nfs/dbraw/zinc/31/15/58/646311558.db2.gz NNPWCCBRMCKKGI-ZDUSSCGKSA-N 2 0 241.379 0.439 20 0 BCADRP COCCOCCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925518237 646312586 /nfs/dbraw/zinc/31/25/86/646312586.db2.gz JANUAQSZKJSRQB-LLVKDONJSA-N 2 0 230.352 0.770 20 0 BCADRP COCC[N@H+](C)CCCN[C@@H]1CC[NH2+]C1(C)C ZINC000925541132 646322585 /nfs/dbraw/zinc/32/25/85/646322585.db2.gz AOASGJMENMOXHW-GFCCVEGCSA-N 2 0 243.395 0.685 20 0 BCADRP COCC[N@H+](C)CCCN[C@H]1CCC[NH2+][C@@H]1C ZINC000925543985 646324791 /nfs/dbraw/zinc/32/47/91/646324791.db2.gz PAIBTRIJKIWXJI-OLZOCXBDSA-N 2 0 243.395 0.685 20 0 BCADRP C[C@@H](CCCO)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925548656 646327243 /nfs/dbraw/zinc/32/72/43/646327243.db2.gz HJJWQEKUOQMHHG-VHSXEESVSA-N 2 0 200.326 0.878 20 0 BCADRP CN(C)C(=O)CCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925584880 646347136 /nfs/dbraw/zinc/34/71/36/646347136.db2.gz FDFMXOWYDKSYTR-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP CC1(C)C[C@@H]([NH2+]CCn2cncn2)C[C@@H]([NH3+])C1 ZINC000925591023 646349409 /nfs/dbraw/zinc/34/94/09/646349409.db2.gz XOFFBMFYVWUVRV-MNOVXSKESA-N 2 0 237.351 0.774 20 0 BCADRP CNC(=O)CCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925600128 646353471 /nfs/dbraw/zinc/35/34/71/646353471.db2.gz FHTCQHXAGNSGBC-JTQLQIEISA-N 2 0 225.336 0.387 20 0 BCADRP C[C@@H](O)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925609742 646356830 /nfs/dbraw/zinc/35/68/30/646356830.db2.gz CZUCTKDCFZEYDY-ZNSHCXBVSA-N 2 0 212.337 0.733 20 0 BCADRP C[C@H](O)[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000929848468 646357525 /nfs/dbraw/zinc/35/75/25/646357525.db2.gz SJVWFSQPQMNIHD-QNWHQSFQSA-N 2 0 242.363 0.144 20 0 BCADRP OCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925613609 646361953 /nfs/dbraw/zinc/36/19/53/646361953.db2.gz ZUUQLHDECIOAJN-VXGBXAGGSA-N 2 0 212.337 0.737 20 0 BCADRP OCC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC1 ZINC000925617638 646364282 /nfs/dbraw/zinc/36/42/82/646364282.db2.gz DEUUWYBABMIETN-XNBXPENISA-N 2 0 236.359 0.733 20 0 BCADRP COC[C@H](O)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925626227 646371305 /nfs/dbraw/zinc/37/13/05/646371305.db2.gz MDHIMECHMJEWHB-QJPTWQEYSA-N 2 0 244.379 0.879 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(O)CCOC1 ZINC000925625461 646372502 /nfs/dbraw/zinc/37/25/02/646372502.db2.gz FNKCOGVWEVDNNI-ZGVCCVRISA-N 2 0 240.347 0.068 20 0 BCADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CNCCOC2)CC1 ZINC000925631823 646375574 /nfs/dbraw/zinc/37/55/74/646375574.db2.gz LFUFFJVXMWCJHI-LBPRGKRZSA-N 2 0 241.379 0.296 20 0 BCADRP C[NH+](C)C1(CN[C@H]2C[NH2+]CCOC2)CCC1 ZINC000925644868 646385219 /nfs/dbraw/zinc/38/52/19/646385219.db2.gz MEBBUTFCXCCOKB-NSHDSACASA-N 2 0 227.352 0.049 20 0 BCADRP CC(C)(O)CCN[C@H]1CC[NH2+]C1(C)C ZINC000925645443 646386049 /nfs/dbraw/zinc/38/60/49/646386049.db2.gz QVBSTHYEGZUNNM-VIFPVBQESA-N 2 0 200.326 0.878 20 0 BCADRP CCN(C)C(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925647605 646386060 /nfs/dbraw/zinc/38/60/60/646386060.db2.gz ZAPBPUYBBBTPPP-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP COCC[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925655679 646393291 /nfs/dbraw/zinc/39/32/91/646393291.db2.gz UOLRNOMQJMWLTJ-UTUOFQBUSA-N 2 0 244.379 0.879 20 0 BCADRP [NH3+]C1(CN[C@H]2C[NH2+]CCOC2)CCCCC1 ZINC000925687833 646414445 /nfs/dbraw/zinc/41/44/45/646414445.db2.gz BIMNCPXUIQKJOD-NSHDSACASA-N 2 0 227.352 0.226 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925690144 646416125 /nfs/dbraw/zinc/41/61/25/646416125.db2.gz FJJUIYBKECWOIX-UVYIHGJDSA-N 2 0 223.364 1.000 20 0 BCADRP [NH3+][C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]C2)C12CCC2 ZINC000925690688 646417016 /nfs/dbraw/zinc/41/70/16/646417016.db2.gz GUCQEHMAMKGBML-QJPTWQEYSA-N 2 0 223.364 0.846 20 0 BCADRP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]C2)C12CCC2 ZINC000925690685 646417237 /nfs/dbraw/zinc/41/72/37/646417237.db2.gz GUCQEHMAMKGBML-IJLUTSLNSA-N 2 0 223.364 0.846 20 0 BCADRP CC1(C)[C@@H](N[C@H]2CC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925695118 646419180 /nfs/dbraw/zinc/41/91/80/646419180.db2.gz WMMSALHRHPBXIQ-USZNOCQGSA-N 2 0 223.364 0.715 20 0 BCADRP [NH3+][C@H](CN[C@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000925696872 646421493 /nfs/dbraw/zinc/42/14/93/646421493.db2.gz BRLQILROSSRIKX-NEPJUHHUSA-N 2 0 223.364 0.988 20 0 BCADRP C[NH2+][C@H](C)CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925700055 646423763 /nfs/dbraw/zinc/42/37/63/646423763.db2.gz NFUFJWQFIBOGLV-MNOVXSKESA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925701052 646424648 /nfs/dbraw/zinc/42/46/48/646424648.db2.gz UYWSVYDINSFCLE-RHYQMDGZSA-N 2 0 223.364 0.844 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1)[NH2+]2 ZINC000925702007 646425093 /nfs/dbraw/zinc/42/50/93/646425093.db2.gz JFLZKVJHSRBTOG-IXJGYNTHSA-N 2 0 237.347 0.369 20 0 BCADRP [NH3+][C@@H]1C[C@H](N[C@@H]2C[NH2+]CCC2(F)F)C12CCC2 ZINC000925703090 646426484 /nfs/dbraw/zinc/42/64/84/646426484.db2.gz BYNMVWDQHQXHNR-KXUCPTDWSA-N 2 0 245.317 0.843 20 0 BCADRP C1[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C12CC[NH2+]CC2 ZINC000925703635 646427861 /nfs/dbraw/zinc/42/78/61/646427861.db2.gz DNMBMDVLLDIPCE-VZKILSJISA-N 3 0 247.386 0.715 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925705077 646429376 /nfs/dbraw/zinc/42/93/76/646429376.db2.gz JDZUZKGUJWSTMM-VXGBXAGGSA-N 2 0 241.379 0.437 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925706873 646431198 /nfs/dbraw/zinc/43/11/98/646431198.db2.gz KVQPZFZYVORXML-UJPLBGJFSA-N 2 0 239.338 0.272 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCCS(C)(=O)=O ZINC000925707294 646432862 /nfs/dbraw/zinc/43/28/62/646432862.db2.gz OVTSBRGJGXIEJL-JTQLQIEISA-N 2 0 248.392 0.541 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925712353 646436567 /nfs/dbraw/zinc/43/65/67/646436567.db2.gz OZULCCKSVCDDAE-ZNSHCXBVSA-N 2 0 226.320 0.260 20 0 BCADRP C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1C[NH2+]CCCO1 ZINC000925712459 646437338 /nfs/dbraw/zinc/43/73/38/646437338.db2.gz VBZXBQBBZWEGPW-VXGBXAGGSA-N 2 0 239.363 0.239 20 0 BCADRP C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C12CC(C1)C[NH2+]2 ZINC000925717696 646442007 /nfs/dbraw/zinc/44/20/07/646442007.db2.gz WNUAREPWKZCNPW-RPBVKXSWSA-N 2 0 233.359 0.324 20 0 BCADRP C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C12CC(C1)C[NH2+]2 ZINC000925717693 646442865 /nfs/dbraw/zinc/44/28/65/646442865.db2.gz WNUAREPWKZCNPW-ATHRMBBZSA-N 2 0 233.359 0.324 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCC[N@@H+]1C ZINC000925719107 646444567 /nfs/dbraw/zinc/44/45/67/646444567.db2.gz OIMJNYSNROIZNQ-GRYCIOLGSA-N 2 0 211.353 0.811 20 0 BCADRP C(N[C@H]1CC[NH2+]C12CCCC2)[C@@H]1COCC[NH2+]1 ZINC000925720538 646445714 /nfs/dbraw/zinc/44/57/14/646445714.db2.gz YQOCNEGDSBTVGS-NEPJUHHUSA-N 2 0 239.363 0.239 20 0 BCADRP C[NH2+]CCOCCN[C@H]1CC[NH2+]C12CCC2 ZINC000925721323 646446033 /nfs/dbraw/zinc/44/60/33/646446033.db2.gz ZBZLDGUCEZRRJE-NSHDSACASA-N 2 0 227.352 0.097 20 0 BCADRP C(N[C@@H]1CC[NH2+]C12CCCC2)[C@@H]1COCC[NH2+]1 ZINC000925720541 646446038 /nfs/dbraw/zinc/44/60/38/646446038.db2.gz YQOCNEGDSBTVGS-VXGBXAGGSA-N 2 0 239.363 0.239 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000925726500 646451089 /nfs/dbraw/zinc/45/10/89/646451089.db2.gz IWTBXGZSGICSOF-JCKABZPLSA-N 3 0 223.364 0.829 20 0 BCADRP CC1(C)C[NH2+]CC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925726544 646452354 /nfs/dbraw/zinc/45/23/54/646452354.db2.gz UCFVGCGIJZYEIZ-RYUDHWBXSA-N 2 0 241.379 0.343 20 0 BCADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]CCC(C)(C)[NH3+] ZINC000925737939 646453699 /nfs/dbraw/zinc/45/36/99/646453699.db2.gz RCPJLOBHOZDMQS-WDEREUQCSA-N 2 0 229.368 0.470 20 0 BCADRP [NH3+]C1CC(C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925729808 646454651 /nfs/dbraw/zinc/45/46/51/646454651.db2.gz MERRBGXJKKGQAB-VQXHTEKXSA-N 3 0 209.337 0.598 20 0 BCADRP CC(C)([NH3+])CC[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000925736956 646460024 /nfs/dbraw/zinc/46/00/24/646460024.db2.gz LSLFNMDJBFKZTB-RYUDHWBXSA-N 2 0 241.379 0.470 20 0 BCADRP C[C@H](C[C@@H]1COCCN1)[NH2+]CCC(C)(C)[NH3+] ZINC000925737936 646460286 /nfs/dbraw/zinc/46/02/86/646460286.db2.gz RCPJLOBHOZDMQS-GHMZBOCLSA-N 2 0 229.368 0.470 20 0 BCADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])C1 ZINC000925736421 646460714 /nfs/dbraw/zinc/46/07/14/646460714.db2.gz MPTWSHVVEIRPEV-SYLRKERUSA-N 2 0 242.363 0.753 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CCC(C)(C)[NH3+] ZINC000925738749 646462955 /nfs/dbraw/zinc/46/29/55/646462955.db2.gz XOHOPGZQFQHFIG-JTQLQIEISA-N 3 0 217.357 0.457 20 0 BCADRP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)C1CC[NH+](C)CC1 ZINC000925785957 646464983 /nfs/dbraw/zinc/46/49/83/646464983.db2.gz MNBDACSGGBFCOU-NTZNESFSSA-N 3 0 225.380 0.914 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000925777625 646474807 /nfs/dbraw/zinc/47/48/07/646474807.db2.gz GCSMQLILIYVQCK-SRVKXCTJSA-N 3 0 229.368 0.600 20 0 BCADRP C[C@@H](NC[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000925776845 646475532 /nfs/dbraw/zinc/47/55/32/646475532.db2.gz MVECIBJJPFCARE-VWYCJHECSA-N 2 0 247.333 0.961 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925779781 646477038 /nfs/dbraw/zinc/47/70/38/646477038.db2.gz ZXMAEOGUDFJFNO-AEJSXWLSSA-N 2 0 235.322 0.947 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925780154 646477234 /nfs/dbraw/zinc/47/72/34/646477234.db2.gz OZFASQUYCXNTLY-NKVKSULBSA-N 2 0 221.348 0.180 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1nnc2ccccn21 ZINC000925779838 646477287 /nfs/dbraw/zinc/47/72/87/646477287.db2.gz MXWRVWNLOXLMOR-WDEREUQCSA-N 2 0 247.346 0.987 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925778830 646477734 /nfs/dbraw/zinc/47/77/34/646477734.db2.gz FRXDOMPWOUNUDB-CHWFTXMASA-N 2 0 209.337 0.454 20 0 BCADRP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1C[NH2+]C[C@H]1C ZINC000925781849 646478563 /nfs/dbraw/zinc/47/85/63/646478563.db2.gz GTVSMFXSQJUOEP-WFFHOREQSA-N 2 0 223.364 0.667 20 0 BCADRP C[C@H](N[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000925781982 646479110 /nfs/dbraw/zinc/47/91/10/646479110.db2.gz ZSXCMPFXCZAULV-NOOOWODRSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000925783238 646479568 /nfs/dbraw/zinc/47/95/68/646479568.db2.gz JDWBGGCXNJIXSG-WISYIIOYSA-N 2 0 211.353 0.701 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000925787045 646483665 /nfs/dbraw/zinc/48/36/65/646483665.db2.gz RYFXQNOQDUPMPL-WYUUTHIRSA-N 3 0 211.353 0.559 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925791561 646485238 /nfs/dbraw/zinc/48/52/38/646485238.db2.gz BAKZKMRCYQAMNE-IJLUTSLNSA-N 3 0 225.380 0.962 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925798633 646486988 /nfs/dbraw/zinc/48/69/88/646486988.db2.gz MBIZSWVZHMDXTP-OPRDCNLKSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NCCN1CCC([NH3+])CC1 ZINC000925816870 646491888 /nfs/dbraw/zinc/49/18/88/646491888.db2.gz KKTKGEPXFCFNQF-AAEUAGOBSA-N 2 0 240.395 0.140 20 0 BCADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)[C@@H]1CCCO1 ZINC000925813803 646491969 /nfs/dbraw/zinc/49/19/69/646491969.db2.gz ZEMIVSJJHTUNRD-AAEUAGOBSA-N 2 0 241.379 0.567 20 0 BCADRP [NH3+]C1CCN(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000925817061 646492779 /nfs/dbraw/zinc/49/27/79/646492779.db2.gz MIKZANMRNCXYPE-QWHCGFSZSA-N 3 0 240.395 0.269 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817740 646493864 /nfs/dbraw/zinc/49/38/64/646493864.db2.gz WHJHLHYALAEEAO-AAEUAGOBSA-N 3 0 240.395 0.127 20 0 BCADRP C[C@H]([NH2+]CC[C@H]1CNC(=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000925836986 646504495 /nfs/dbraw/zinc/50/44/95/646504495.db2.gz AQNLSNBYKHLPAD-TUAOUCFPSA-N 2 0 239.363 0.633 20 0 BCADRP CCO[C@H](CN[C@H]1CCC[C@@H]1[NH3+])C[NH+](C)C ZINC000925838417 646505016 /nfs/dbraw/zinc/50/50/16/646505016.db2.gz MCBFBESFYLXVJF-WOPDTQHZSA-N 2 0 229.368 0.423 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC[C@H]1CNC(=O)C1 ZINC000925837549 646505278 /nfs/dbraw/zinc/50/52/78/646505278.db2.gz HCSSAYIRXKCIOP-IJLUTSLNSA-N 2 0 239.363 0.762 20 0 BCADRP CCO[C@H](CN[C@H]1CCC[C@H]1[NH3+])C[NH+](C)C ZINC000925838414 646505375 /nfs/dbraw/zinc/50/53/75/646505375.db2.gz MCBFBESFYLXVJF-UTUOFQBUSA-N 2 0 229.368 0.423 20 0 BCADRP CCO[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])C[NH+](C)C ZINC000925838111 646505427 /nfs/dbraw/zinc/50/54/27/646505427.db2.gz JXJNTXNGEDBMQT-GRYCIOLGSA-N 2 0 231.384 0.669 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@@H]2CNOC2)C1 ZINC000925860595 646512417 /nfs/dbraw/zinc/51/24/17/646512417.db2.gz SDQQVJATFGPDNI-LPEHRKFASA-N 2 0 213.325 0.385 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CNOC2)[C@H]2CCC[C@H]21 ZINC000925865316 646516676 /nfs/dbraw/zinc/51/66/76/646516676.db2.gz GGQOSDDEPYNHRY-WHOHXGKFSA-N 2 0 225.336 0.352 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCO[C@H]1CCOC1 ZINC000925874307 646524339 /nfs/dbraw/zinc/52/43/39/646524339.db2.gz IJLAFGPZZWVZJZ-DCAQKATOSA-N 2 0 216.325 0.507 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCO[C@@H]1CCOC1 ZINC000925874309 646524941 /nfs/dbraw/zinc/52/49/41/646524941.db2.gz IJLAFGPZZWVZJZ-HBNTYKKESA-N 2 0 216.325 0.507 20 0 BCADRP C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875001 646525413 /nfs/dbraw/zinc/52/54/13/646525413.db2.gz BCLZCFGJRSIXLW-BBBLOLIVSA-N 2 0 234.365 0.137 20 0 BCADRP C[C@H]([NH2+]CCOC1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000925878277 646527225 /nfs/dbraw/zinc/52/72/25/646527225.db2.gz UCAARNOBZPWHMD-RYUDHWBXSA-N 2 0 242.363 0.770 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C12CCC2 ZINC000925880114 646529871 /nfs/dbraw/zinc/52/98/71/646529871.db2.gz OGELHLRZPFDCJG-WRWGMCAJSA-N 3 0 223.364 0.973 20 0 BCADRP Cn1nccc1[C@H](O)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000925891575 646533779 /nfs/dbraw/zinc/53/37/79/646533779.db2.gz WDZZPLJVFZWGBB-HOSYDEDBSA-N 2 0 238.335 0.171 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](O)c1ccnn1C ZINC000925888885 646533921 /nfs/dbraw/zinc/53/39/21/646533921.db2.gz GGJGGJWVMRATCM-PWSUYJOCSA-N 2 0 240.351 0.561 20 0 BCADRP C[C@@H]1COC[C@@H](C)C1[NH2+]CCOCC[NH+](C)C ZINC000926254665 646606110 /nfs/dbraw/zinc/60/61/10/646606110.db2.gz MZXYAUUEYRCYCW-VXGBXAGGSA-N 2 0 244.379 0.825 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCO ZINC000926302469 646612458 /nfs/dbraw/zinc/61/24/58/646612458.db2.gz DMQDYWODHVEQDI-FOSCPWQOSA-N 2 0 212.337 0.689 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000723701785 711535364 /nfs/dbraw/zinc/53/53/64/711535364.db2.gz PUUBNSHHLCCKIA-DTWKUNHWSA-N 2 0 240.269 0.970 20 0 BCADRP Cc1nn(C)cc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723712246 711535769 /nfs/dbraw/zinc/53/57/69/711535769.db2.gz OUFCVGWMEITYIC-NSHDSACASA-N 2 0 222.336 0.899 20 0 BCADRP CO[C@@H]1CC[C@H]1[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000724158547 711565270 /nfs/dbraw/zinc/56/52/70/711565270.db2.gz YCOQJZMRIKSZOY-IJLUTSLNSA-N 2 0 240.347 0.617 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720900775 711686985 /nfs/dbraw/zinc/68/69/85/711686985.db2.gz QTKCCNNRRIXYSY-AXFHLTTASA-N 2 0 225.336 0.419 20 0 BCADRP C[C@@H]1NCCC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000925689152 711709621 /nfs/dbraw/zinc/70/96/21/711709621.db2.gz GYRKDFWETJLFGB-STQMWFEESA-N 2 0 240.395 0.012 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726680 711769792 /nfs/dbraw/zinc/76/97/92/711769792.db2.gz VMCJQVUTSXHXSX-GXSJLCMTSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000160054334 711805365 /nfs/dbraw/zinc/80/53/65/711805365.db2.gz MBXBAMCLOBOTPZ-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP CCOC[C@@H](O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227736623 711832775 /nfs/dbraw/zinc/83/27/75/711832775.db2.gz GPMVTTRRCKMRML-NWDGAFQWSA-N 2 0 232.368 0.689 20 0 BCADRP C(C[NH+]1CCCC1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085283373 711932211 /nfs/dbraw/zinc/93/22/11/711932211.db2.gz DRIVYNMQEHYKGU-VXGBXAGGSA-N 2 0 209.337 0.233 20 0 BCADRP OCC[C@H]1COCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000702650546 712058559 /nfs/dbraw/zinc/05/85/59/712058559.db2.gz BBVPMSIUBTYZRP-ZDUSSCGKSA-N 2 0 242.363 0.459 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CC2CC(OC)C2)C1 ZINC000703165998 712067051 /nfs/dbraw/zinc/06/70/51/712067051.db2.gz CICSJOIRALYWPP-UNXYVOJBSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@H]([NH2+][C@H]1CNOC1)C1CC[NH+](C)CC1 ZINC000703398406 712075485 /nfs/dbraw/zinc/07/54/85/712075485.db2.gz OKVCXXBEJNYTDY-ONGXEEELSA-N 2 0 213.325 0.210 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@H](CO)[C@H](CO)C1 ZINC000704770089 712115468 /nfs/dbraw/zinc/11/54/68/712115468.db2.gz GMOBJLIHJJZRCE-XQQFMLRXSA-N 2 0 242.363 0.003 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709996676 712238686 /nfs/dbraw/zinc/23/86/86/712238686.db2.gz OPAJTMLDZAFBRH-CHWSQXEVSA-N 2 0 242.363 0.459 20 0 BCADRP C[C@@H](C(=O)N(C)C)[N@H+](C)CCCCCC[NH3+] ZINC000710751678 712256211 /nfs/dbraw/zinc/25/62/11/712256211.db2.gz VJDSALSMIZGAIN-NSHDSACASA-N 2 0 229.368 0.914 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710968531 712270379 /nfs/dbraw/zinc/27/03/79/712270379.db2.gz CXVAZJCWVZZZEH-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000711310336 712293599 /nfs/dbraw/zinc/29/35/99/712293599.db2.gz JWQRVOGMDHIXAA-NSHDSACASA-N 2 0 239.363 0.396 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711312686 712293689 /nfs/dbraw/zinc/29/36/89/712293689.db2.gz YKMMPIVVQLKEGS-WDEREUQCSA-N 2 0 239.363 0.442 20 0 BCADRP CCn1nnc(C)c1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479515 712334315 /nfs/dbraw/zinc/33/43/15/712334315.db2.gz QRPONVQCTNANSP-LLVKDONJSA-N 2 0 237.351 0.777 20 0 BCADRP C[C@@H]([NH2+][C@@H]1CC[C@H]1O)C1CC[NH+](C)CC1 ZINC000378725046 712358508 /nfs/dbraw/zinc/35/85/08/712358508.db2.gz IEOJBJJHBYEHHV-YUSALJHKSA-N 2 0 212.337 0.830 20 0 BCADRP [NH3+]CC(C[NH3+])NCCSc1ccccc1 ZINC000390138910 712374309 /nfs/dbraw/zinc/37/43/09/712374309.db2.gz NMVQFBMMFLWMNL-UHFFFAOYSA-N 2 0 225.361 0.654 20 0 BCADRP FC(F)[C@H]1C[NH2+]CCN1C[C@H]1CC[NH2+]C1 ZINC000390752575 712427299 /nfs/dbraw/zinc/42/72/99/712427299.db2.gz DVRQSJWJKOWHKZ-DTWKUNHWSA-N 2 0 219.279 0.135 20 0 BCADRP FC(F)[C@H]1C[NH2+]CCN1C[C@@H]1CC[NH2+]C1 ZINC000390752578 712427318 /nfs/dbraw/zinc/42/73/18/712427318.db2.gz DVRQSJWJKOWHKZ-RKDXNWHRSA-N 2 0 219.279 0.135 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713241296 712456176 /nfs/dbraw/zinc/45/61/76/712456176.db2.gz YPGCATFXGNIBED-DCQANWLSSA-N 2 0 239.363 0.570 20 0 BCADRP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000714244326 712480198 /nfs/dbraw/zinc/48/01/98/712480198.db2.gz HONQEYXNQFYDHP-NAKRPEOUSA-N 2 0 246.376 0.422 20 0 BCADRP C[N@H+](CCCF)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000716808274 712575899 /nfs/dbraw/zinc/57/58/99/712575899.db2.gz JJSAWYJVZVYKEG-JTQLQIEISA-N 2 0 216.300 0.799 20 0 BCADRP O=C(CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000379930346 712631715 /nfs/dbraw/zinc/63/17/15/712631715.db2.gz OBRDRHBBAMAISR-PHIMTYICSA-N 2 0 208.305 0.507 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000037484148 712650747 /nfs/dbraw/zinc/65/07/47/712650747.db2.gz ZPNTVKWFQUGPAH-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H](CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000718032910 712737181 /nfs/dbraw/zinc/73/71/81/712737181.db2.gz IWSSYUQFGYOJFS-QJPTWQEYSA-N 2 0 241.379 0.960 20 0 BCADRP NC(=O)CC1CC([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000718554182 712769082 /nfs/dbraw/zinc/76/90/82/712769082.db2.gz STNYQWITBKZZHO-WFBLGPOFSA-N 2 0 237.347 0.500 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720896726 712876486 /nfs/dbraw/zinc/87/64/86/712876486.db2.gz DHSIGCVARHPOKH-UTUOFQBUSA-N 2 0 239.363 0.665 20 0 BCADRP COC1(CO)CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000721055946 712888672 /nfs/dbraw/zinc/88/86/72/712888672.db2.gz RUJUYQMKJKPBRE-NEPJUHHUSA-N 2 0 242.363 0.315 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000381573117 710655919 /nfs/dbraw/zinc/65/59/19/710655919.db2.gz YKEFFPANVGGJJD-NSHDSACASA-N 2 0 213.325 0.102 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000381754762 710701122 /nfs/dbraw/zinc/70/11/22/710701122.db2.gz RXMIXFFKWZRRQT-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000381754769 710702407 /nfs/dbraw/zinc/70/24/07/710702407.db2.gz RXMIXFFKWZRRQT-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCC[NH2+]CC1 ZINC000722545084 710716176 /nfs/dbraw/zinc/71/61/76/710716176.db2.gz UJTXMONIFSHPRT-GHMZBOCLSA-N 2 0 225.336 0.054 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000722700413 710719654 /nfs/dbraw/zinc/71/96/54/710719654.db2.gz ORASHOLRIZYIPU-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP CO[C@@H]1COCC[C@@H]1[N@H+](C)CCC[NH3+] ZINC000381839920 710732736 /nfs/dbraw/zinc/73/27/36/710732736.db2.gz STZOPVOZNICFCO-VHSXEESVSA-N 2 0 202.298 0.071 20 0 BCADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCO[C@H]1CCOC1 ZINC000724921489 710749487 /nfs/dbraw/zinc/74/94/87/710749487.db2.gz LTGPIVLIDNFEOC-STQMWFEESA-N 2 0 242.363 0.995 20 0 BCADRP C[NH2+]CC1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000724922195 710749567 /nfs/dbraw/zinc/74/95/67/710749567.db2.gz PFFFTIPVRJOIIR-ZDUSSCGKSA-N 2 0 242.363 0.723 20 0 BCADRP C[C@@H]1C[N@H+](CCO[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000724945013 710750185 /nfs/dbraw/zinc/75/01/85/710750185.db2.gz WAAMRCVWVFTJON-IJLUTSLNSA-N 2 0 228.336 0.319 20 0 BCADRP C[N@H+](CCO[C@H]1CCOC1)C1CC([NH3+])C1 ZINC000724935639 710750377 /nfs/dbraw/zinc/75/03/77/710750377.db2.gz IJSZEVHUMZCCIN-ILDUYXDCSA-N 2 0 214.309 0.213 20 0 BCADRP CC(C)(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C(N)=O ZINC000383045337 710869000 /nfs/dbraw/zinc/86/90/00/710869000.db2.gz IQNIMOQDIJOBNE-LADJIXMOSA-N 2 0 237.347 0.084 20 0 BCADRP CC(C)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000133090391 710967841 /nfs/dbraw/zinc/96/78/41/710967841.db2.gz IHVIVCITQCQPPB-WDEREUQCSA-N 2 0 227.352 0.428 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N1CCN(C2CC2)CC1 ZINC000383676775 710985548 /nfs/dbraw/zinc/98/55/48/710985548.db2.gz NLYONHQDJGKLDJ-GFCCVEGCSA-N 2 0 237.347 0.420 20 0 BCADRP c1cnn(CCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000385541992 711014861 /nfs/dbraw/zinc/01/48/61/711014861.db2.gz USLKPAGMWLXFCI-QSLWVIQJSA-N 2 0 246.358 0.859 20 0 BCADRP C[C@H]1C[NH+]=C(NC[C@@H]2CCC[N@H+](C)C2)N1 ZINC000389312923 711076257 /nfs/dbraw/zinc/07/62/57/711076257.db2.gz CMMAYJBHLROIND-UWVGGRQHSA-N 2 0 210.325 0.266 20 0 BCADRP CC(C)NC(=[NH2+])NC[C@@H](C)C[NH+](C)C ZINC000389298727 711076365 /nfs/dbraw/zinc/07/63/65/711076365.db2.gz HULCWVXMKZDVBP-SECBINFHSA-N 2 0 200.330 0.706 20 0 BCADRP COC(C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)OC ZINC000390161554 711107312 /nfs/dbraw/zinc/10/73/12/711107312.db2.gz ZWUWPMQGZROMGJ-WDEREUQCSA-N 2 0 228.336 0.489 20 0 BCADRP C[C@@H](C[NH2+][C@H]1CCCNC(=O)C1)C[NH+](C)C ZINC000390299736 711111099 /nfs/dbraw/zinc/11/10/99/711111099.db2.gz CBAATHGAYAVCPX-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000390294256 711111121 /nfs/dbraw/zinc/11/11/21/711111121.db2.gz ZYKZTSIHQGYJBI-BDAKNGLRSA-N 2 0 213.325 0.357 20 0 BCADRP CC[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000390517258 711123024 /nfs/dbraw/zinc/12/30/24/711123024.db2.gz DNMWOKHXXWJMMF-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[N@H+](CCn2cncn2)CC[C@H]1C[NH3+] ZINC000390583756 711126307 /nfs/dbraw/zinc/12/63/07/711126307.db2.gz QBGVHQAQPSIVHG-MNOVXSKESA-N 2 0 223.324 0.195 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000393823724 711177161 /nfs/dbraw/zinc/17/71/61/711177161.db2.gz BFZOQZVGVWSSAS-RWMBFGLXSA-N 2 0 243.395 0.323 20 0 BCADRP OCC1(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000395898241 711217264 /nfs/dbraw/zinc/21/72/64/711217264.db2.gz UWCIDZOAPQXVTL-NWBUJAPZSA-N 2 0 236.359 0.735 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NC1CC[NH+](C)CC1 ZINC000396576987 711357922 /nfs/dbraw/zinc/35/79/22/711357922.db2.gz CXHONPPMLXCDTB-PWSUYJOCSA-N 2 0 211.353 0.811 20 0 BCADRP [NH3+]CC1(O)CC[NH+](C/C=C\Cl)CC1 ZINC000396996660 711374608 /nfs/dbraw/zinc/37/46/08/711374608.db2.gz XJMOXLODCKKOSD-RJRFIUFISA-N 2 0 204.701 0.525 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000722057914 710602411 /nfs/dbraw/zinc/60/24/11/710602411.db2.gz XAYBQGIQPQPCIQ-LLVKDONJSA-N 2 0 237.347 0.293 20 0 BCADRP CCCNC(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000381131632 710604123 /nfs/dbraw/zinc/60/41/23/710604123.db2.gz KUUNDBSFIGIGRK-UHFFFAOYSA-N 2 0 229.368 0.964 20 0 BCADRP CO[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000721956072 710693811 /nfs/dbraw/zinc/69/38/11/710693811.db2.gz SPYLBCAGYJXYQH-WUHRBBMRSA-N 2 0 224.348 0.953 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000724564297 710742596 /nfs/dbraw/zinc/74/25/96/710742596.db2.gz VJNFHTDFTRRXRT-WHOHXGKFSA-N 2 0 226.320 0.071 20 0 BCADRP CC(C)(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C(N)=O ZINC000383045339 710868129 /nfs/dbraw/zinc/86/81/29/710868129.db2.gz IQNIMOQDIJOBNE-OGBGREFGSA-N 2 0 237.347 0.084 20 0 BCADRP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@@H]1CCCOC1 ZINC000383256387 710978778 /nfs/dbraw/zinc/97/87/78/710978778.db2.gz FQDPRHNPPMPDTG-BSCCGWMCSA-N 2 0 236.359 0.999 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000384910209 711000462 /nfs/dbraw/zinc/00/04/62/711000462.db2.gz DEEOMFLBUPLJHR-VHSXEESVSA-N 2 0 216.325 0.317 20 0 BCADRP COCC(COC)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000384891221 711000484 /nfs/dbraw/zinc/00/04/84/711000484.db2.gz YFGQFOJTPZQPNT-QWRGUYRKSA-N 2 0 230.352 0.707 20 0 BCADRP COCC(COC)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000384950321 711002013 /nfs/dbraw/zinc/00/20/13/711002013.db2.gz LPQHNYMJJOHSAH-LBPRGKRZSA-N 2 0 232.368 0.953 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000385010354 711003343 /nfs/dbraw/zinc/00/33/43/711003343.db2.gz XRUUXXHKVMFZTE-WDEREUQCSA-N 2 0 230.352 0.565 20 0 BCADRP CCCC[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397679151 711389671 /nfs/dbraw/zinc/38/96/71/711389671.db2.gz KQKKDSSLMSWYND-UHFFFAOYSA-N 2 0 200.326 0.833 20 0 BCADRP OC1(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCC1 ZINC000397732489 711390344 /nfs/dbraw/zinc/39/03/44/711390344.db2.gz WWLUTTQEOBFFQW-JZRPKSSGSA-N 2 0 236.359 0.878 20 0 BCADRP CCOC[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000717910217 711492212 /nfs/dbraw/zinc/49/22/12/711492212.db2.gz BEZSWZYKSZIZNI-FRRDWIJNSA-N 2 0 242.363 0.851 20 0 BCADRP CC(=O)NCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000383502800 711496080 /nfs/dbraw/zinc/49/60/80/711496080.db2.gz YOLICLUCWQZKKV-JZRPKSSGSA-N 2 0 237.347 0.099 20 0 BCADRP CN1C[C@H](CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000723548206 711516056 /nfs/dbraw/zinc/51/60/56/711516056.db2.gz RVMQPMARQXBVQX-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP NC(=O)c1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000723668676 711532924 /nfs/dbraw/zinc/53/29/24/711532924.db2.gz AKGDKUXHFMWRJL-GFCCVEGCSA-N 2 0 247.342 0.956 20 0 BCADRP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723713674 711535285 /nfs/dbraw/zinc/53/52/85/711535285.db2.gz XGUVZBBMJRHKJE-QWRGUYRKSA-N 2 0 228.336 0.999 20 0 BCADRP Cc1c[nH]nc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723703744 711535415 /nfs/dbraw/zinc/53/54/15/711535415.db2.gz VRWKEXMHERRQIP-SNVBAGLBSA-N 2 0 208.309 0.889 20 0 BCADRP C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)C1C[NH2+]C1 ZINC000723879213 711542156 /nfs/dbraw/zinc/54/21/56/711542156.db2.gz MEJQVNSMNYVQAX-SECBINFHSA-N 2 0 248.392 0.255 20 0 BCADRP Cc1cc(C)nc(C[NH+]2CCC(O)(C[NH3+])CC2)c1 ZINC000723879529 711542346 /nfs/dbraw/zinc/54/23/46/711542346.db2.gz QNRJYAWVFGXXQH-UHFFFAOYSA-N 2 0 249.358 0.984 20 0 BCADRP Cc1nonc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723883809 711543137 /nfs/dbraw/zinc/54/31/37/711543137.db2.gz RDMNGSFKLUIINO-PSASIEDQSA-N 2 0 224.308 0.795 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CC[NH3+] ZINC000723881880 711543157 /nfs/dbraw/zinc/54/31/57/711543157.db2.gz CTUJVZZZJBAHAT-NXEZZACHSA-N 2 0 223.324 0.232 20 0 BCADRP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CC[NH3+] ZINC000723883315 711543410 /nfs/dbraw/zinc/54/34/10/711543410.db2.gz OKGVMRHTBFXZNC-NXEZZACHSA-N 2 0 223.324 0.232 20 0 BCADRP C[C@@H]1C[N@H+](CCN2CCOCC2)C[C@H]1CC[NH3+] ZINC000723890863 711543718 /nfs/dbraw/zinc/54/37/18/711543718.db2.gz IWPHETGDNJHSMG-CHWSQXEVSA-N 2 0 241.379 0.235 20 0 BCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892065 711544153 /nfs/dbraw/zinc/54/41/53/711544153.db2.gz UIIZGBIVGBFKJS-GMTAPVOTSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724562566 711592316 /nfs/dbraw/zinc/59/23/16/711592316.db2.gz HJEZSAGBXAEUFO-RXGFPQBGSA-N 2 0 240.347 0.602 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000724562128 711592532 /nfs/dbraw/zinc/59/25/32/711592532.db2.gz FXZOGYNXHQNRFT-CKIKVBCHSA-N 2 0 240.347 0.459 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000724562130 711592607 /nfs/dbraw/zinc/59/26/07/711592607.db2.gz FXZOGYNXHQNRFT-PPCPHDFISA-N 2 0 240.347 0.459 20 0 BCADRP C[N@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)CC(C)(C)C[NH3+] ZINC000724564248 711592867 /nfs/dbraw/zinc/59/28/67/711592867.db2.gz RRGRMOXLNBTELK-WOPDTQHZSA-N 2 0 242.363 0.707 20 0 BCADRP [NH3+]CC1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000724912455 711627103 /nfs/dbraw/zinc/62/71/03/711627103.db2.gz DGKVXXFSPJEVLX-LBPRGKRZSA-N 2 0 228.336 0.463 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000724923282 711628569 /nfs/dbraw/zinc/62/85/69/711628569.db2.gz UDDCPGUJKPMJGT-DGCLKSJQSA-N 2 0 242.363 0.851 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCO[C@H]2CCOC2)CC[N@@H+]1C ZINC000724934687 711631244 /nfs/dbraw/zinc/63/12/44/711631244.db2.gz DPFRHHFHQNJYLL-UPJWGTAASA-N 2 0 242.363 0.864 20 0 BCADRP C[NH+]1CCC(C[NH2+]C2CC(CC(N)=O)C2)CC1 ZINC000718441336 711657671 /nfs/dbraw/zinc/65/76/71/711657671.db2.gz SWDDAVJXVQDTAG-UHFFFAOYSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N(C)C1CCC([NH3+])CC1 ZINC000851679186 711686377 /nfs/dbraw/zinc/68/63/77/711686377.db2.gz AALBYVAZTOZPSP-WHXUTIOJSA-N 2 0 242.367 0.506 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000309405688 711697562 /nfs/dbraw/zinc/69/75/62/711697562.db2.gz HXZYSBODBLVJFQ-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925718333 711714020 /nfs/dbraw/zinc/71/40/20/711714020.db2.gz KXXYQFLOUSYLQG-ZRUFSTJUSA-N 2 0 209.337 0.596 20 0 BCADRP CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000722184108 711717576 /nfs/dbraw/zinc/71/75/76/711717576.db2.gz PHKARLOFYWQJHJ-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000257647025 711721406 /nfs/dbraw/zinc/72/14/06/711721406.db2.gz AMCNJTTWCKHVOL-RYUDHWBXSA-N 2 0 239.363 0.668 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879381 711762084 /nfs/dbraw/zinc/76/20/84/711762084.db2.gz CQYKPBAWAJDZKC-WISYIIOYSA-N 3 0 211.353 0.831 20 0 BCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1COC[C@@H]1C ZINC000924989966 711767813 /nfs/dbraw/zinc/76/78/13/711767813.db2.gz FYFLSDJEBMWFAT-XQQFMLRXSA-N 2 0 241.379 0.247 20 0 BCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1COC[C@H]1C ZINC000924989965 711767836 /nfs/dbraw/zinc/76/78/36/711767836.db2.gz FYFLSDJEBMWFAT-UPJWGTAASA-N 2 0 241.379 0.247 20 0 BCADRP COC[C@@H](C[N@H+](C)C[C@H](O)C[NH3+])C(C)C ZINC000721911783 711917493 /nfs/dbraw/zinc/91/74/93/711917493.db2.gz KKTWGOMPAIEYSZ-GHMZBOCLSA-N 2 0 218.341 0.156 20 0 BCADRP CC(C)C1(O)CN(CCn2ccnc2)C1 ZINC000084376804 711924885 /nfs/dbraw/zinc/92/48/85/711924885.db2.gz KSKAUBPGWBEXQW-UHFFFAOYSA-N 2 0 209.293 0.586 20 0 BCADRP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032782991 711938455 /nfs/dbraw/zinc/93/84/55/711938455.db2.gz QPEFWBZQNSRZME-RYUDHWBXSA-N 2 0 237.347 0.387 20 0 BCADRP [NH3+]C[C@H]1CN(CCO)CC[C@@H]1C(F)(F)F ZINC000700798234 712005893 /nfs/dbraw/zinc/00/58/93/712005893.db2.gz VXYQYGUVNPHWMH-YUMQZZPRSA-N 2 0 226.242 0.438 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(CCN1CCCC1=O)C2 ZINC000702069229 712037245 /nfs/dbraw/zinc/03/72/45/712037245.db2.gz IGHGHNHILDZURU-WCQYABFASA-N 2 0 237.347 0.150 20 0 BCADRP C[N@@H+]1C[C@@H]2C[NH+](CC(C)(C)O)C[C@]2(C)C1 ZINC000702278424 712045238 /nfs/dbraw/zinc/04/52/38/712045238.db2.gz OORFQGLGAGYSAE-PWSUYJOCSA-N 2 0 212.337 0.641 20 0 BCADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CC[C@H]([NH3+])C3)C[C@]2(C)C1 ZINC000702338330 712047783 /nfs/dbraw/zinc/04/77/83/712047783.db2.gz URRMYHNWYIPTTG-MQYQWHSLSA-N 3 0 237.391 0.997 20 0 BCADRP C[N@@H+]1C[C@@H]2C[NH+](CC[C@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC000702376820 712049583 /nfs/dbraw/zinc/04/95/83/712049583.db2.gz RVXKHCFOSNGQRZ-MCIONIFRSA-N 2 0 237.391 0.870 20 0 BCADRP C[N@@H+]1C[C@@H]2CN(CC(C)(C)[NH3+])C[C@]2(C)C1 ZINC000702433894 712052981 /nfs/dbraw/zinc/05/29/81/712052981.db2.gz GWJZGAKBLCHGOM-PWSUYJOCSA-N 2 0 211.353 0.607 20 0 BCADRP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])Nc2ccccc2)C1 ZINC000702591392 712055922 /nfs/dbraw/zinc/05/59/22/712055922.db2.gz NQVPMQUDUIQANU-CYBMUJFWSA-N 2 0 248.330 0.689 20 0 BCADRP CC[C@H](O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702612622 712057283 /nfs/dbraw/zinc/05/72/83/712057283.db2.gz NJEFLLCJHIVHGW-SDDRHHMPSA-N 2 0 212.337 0.689 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(CC3CC3)CC2)C1 ZINC000703616668 712081100 /nfs/dbraw/zinc/08/11/00/712081100.db2.gz PRUMQCYBQXGTSN-BETUJISGSA-N 2 0 223.364 0.751 20 0 BCADRP COC1CC(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000703839156 712089783 /nfs/dbraw/zinc/08/97/83/712089783.db2.gz CLLOSTVPNDJUET-WSVSKBAQSA-N 2 0 210.321 0.563 20 0 BCADRP CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001035124387 712114147 /nfs/dbraw/zinc/11/41/47/712114147.db2.gz MKSDZRPOLCKLOF-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP c1cnc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000705326217 712128488 /nfs/dbraw/zinc/12/84/88/712128488.db2.gz VDSARBYRZNCXCV-GRYCIOLGSA-N 2 0 232.331 0.954 20 0 BCADRP COC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000706018980 712138793 /nfs/dbraw/zinc/13/87/93/712138793.db2.gz QGJUCFDJQMPMQD-GHMZBOCLSA-N 2 0 243.351 0.424 20 0 BCADRP C[C@H](C[N@@H+]1CC[C@H](CC[NH3+])C1)CS(C)(=O)=O ZINC000706567659 712150204 /nfs/dbraw/zinc/15/02/04/712150204.db2.gz AFPRHAMFSPIXGF-MNOVXSKESA-N 2 0 248.392 0.338 20 0 BCADRP C[NH2+]CCOCCN(C)Cc1cnc(C)cn1 ZINC000706647861 712150676 /nfs/dbraw/zinc/15/06/76/712150676.db2.gz DHBVOIPTYUCMQH-UHFFFAOYSA-N 2 0 238.335 0.453 20 0 BCADRP CSC1CC([NH2+]C[C@]2(O)CCN(C)C2)C1 ZINC000706813729 712156459 /nfs/dbraw/zinc/15/64/59/712156459.db2.gz DTKQZWROWJSZIA-VQXHTEKXSA-N 2 0 230.377 0.537 20 0 BCADRP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3C[C@@H]([NH3+])C3)C[C@@H]2C1 ZINC000706984758 712160443 /nfs/dbraw/zinc/16/04/43/712160443.db2.gz CRMONVXGPWUYRV-HUVAQWKNSA-N 3 0 209.337 0.217 20 0 BCADRP C[N@H+]1C[C@H]2CN(C[C@@H]([NH3+])CC(F)F)C[C@H]2C1 ZINC000706993846 712163921 /nfs/dbraw/zinc/16/39/21/712163921.db2.gz OECJODIXYSBAGB-AEJSXWLSSA-N 2 0 233.306 0.462 20 0 BCADRP CN1CCC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1=O ZINC000707731073 712176933 /nfs/dbraw/zinc/17/69/33/712176933.db2.gz CBTXFXIHZFKATO-GARJFASQSA-N 2 0 237.347 0.467 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC000708577070 712213488 /nfs/dbraw/zinc/21/34/88/712213488.db2.gz NFNADEATVADJBE-YNEHKIRRSA-N 2 0 244.379 0.533 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000709272167 712219004 /nfs/dbraw/zinc/21/90/04/712219004.db2.gz BOQVEVQNEMYVLG-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@H]1COC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709463323 712222272 /nfs/dbraw/zinc/22/22/72/712222272.db2.gz DUZLLFAQGBMEGE-GDGRRUBZSA-N 2 0 210.321 0.894 20 0 BCADRP C[C@@H]1COC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709463317 712222358 /nfs/dbraw/zinc/22/23/58/712222358.db2.gz DUZLLFAQGBMEGE-ARHMULMVSA-N 2 0 210.321 0.894 20 0 BCADRP COC(=O)[C@H]1CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000709480570 712222632 /nfs/dbraw/zinc/22/26/32/712222632.db2.gz CSQMYBPDTUENQX-GFCCVEGCSA-N 2 0 240.347 0.966 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CCOC1)C2 ZINC000709824761 712228706 /nfs/dbraw/zinc/22/87/06/712228706.db2.gz VGNCJOFKCXPWOP-YFKTTZPYSA-N 2 0 210.321 0.835 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709851259 712229862 /nfs/dbraw/zinc/22/98/62/712229862.db2.gz ZFATXDZPEUHYBO-ZDUSSCGKSA-N 2 0 242.363 0.723 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1CCCC1=O)C2 ZINC000709886921 712231521 /nfs/dbraw/zinc/23/15/21/712231521.db2.gz GNXUSHNRCLQEIO-SRVKXCTJSA-N 2 0 237.347 0.420 20 0 BCADRP COC(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000710712920 712254746 /nfs/dbraw/zinc/25/47/46/712254746.db2.gz CVMMRURWUZILKD-JTQLQIEISA-N 2 0 216.325 0.999 20 0 BCADRP COCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710640807 712264498 /nfs/dbraw/zinc/26/44/98/712264498.db2.gz FGTPGMDDKZOYGQ-UHFFFAOYSA-N 2 0 216.325 0.021 20 0 BCADRP CSCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710642177 712264519 /nfs/dbraw/zinc/26/45/19/712264519.db2.gz MYFRPZKPWAOQKQ-UHFFFAOYSA-N 2 0 232.393 0.738 20 0 BCADRP C[NH+](C)CC1(O)CC[NH+](Cc2ccncc2)CC1 ZINC000710672879 712265185 /nfs/dbraw/zinc/26/51/85/712265185.db2.gz YLNZNRIBEDGGNV-UHFFFAOYSA-N 2 0 249.358 0.970 20 0 BCADRP C[NH+](C)CC1(O)CC[NH+](Cc2ccccn2)CC1 ZINC000710672771 712265613 /nfs/dbraw/zinc/26/56/13/712265613.db2.gz XIRFATDIUBDVQH-UHFFFAOYSA-N 2 0 249.358 0.970 20 0 BCADRP CC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000922907356 712285231 /nfs/dbraw/zinc/28/52/31/712285231.db2.gz HPDIOLWQEWZAAX-MNOVXSKESA-N 2 0 240.351 0.084 20 0 BCADRP C[C@H](CNC(=O)[C@H]1C[NH2+]CC1(C)C)[NH+](C)C ZINC000711250280 712290569 /nfs/dbraw/zinc/29/05/69/712290569.db2.gz OIGACFJDPBSRRJ-NXEZZACHSA-N 2 0 227.352 0.298 20 0 BCADRP C([C@H]1CC[NH2+]C1)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711543561 712310609 /nfs/dbraw/zinc/31/06/09/712310609.db2.gz VLXBWNKHHONLJF-GARJFASQSA-N 2 0 212.362 0.891 20 0 BCADRP CCN(C)C[C@H](O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711569083 712311151 /nfs/dbraw/zinc/31/11/51/712311151.db2.gz YCVSVUBHPPCVII-TUAOUCFPSA-N 2 0 244.404 0.594 20 0 BCADRP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)OC1CC1 ZINC000711755684 712324954 /nfs/dbraw/zinc/32/49/54/712324954.db2.gz YCHRNXOTGBTSLF-ZYHUDNBSSA-N 2 0 210.321 0.849 20 0 BCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479751 712334200 /nfs/dbraw/zinc/33/42/00/712334200.db2.gz SLNHJRUFUWPJGT-CHWSQXEVSA-N 2 0 244.379 0.691 20 0 BCADRP CCOCC[C@@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478842 712334469 /nfs/dbraw/zinc/33/44/69/712334469.db2.gz HYJCWSVWIWJQGP-NWDGAFQWSA-N 2 0 230.352 0.445 20 0 BCADRP CN(C)c1nccc(NC[C@@H]2CC[N@@H+]2C)n1 ZINC000712596032 712436393 /nfs/dbraw/zinc/43/63/93/712436393.db2.gz SBZZNLJRRVBGIW-VIFPVBQESA-N 2 0 221.308 0.659 20 0 BCADRP CN1CC[C@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000712615073 712437987 /nfs/dbraw/zinc/43/79/87/712437987.db2.gz VGYZOSLKPPCODB-LBPRGKRZSA-N 2 0 211.353 0.622 20 0 BCADRP CN1CC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000712554820 712444785 /nfs/dbraw/zinc/44/47/85/712444785.db2.gz CNAMHWVFSZYRQG-PSEXLTFBSA-N 2 0 223.364 0.905 20 0 BCADRP C[C@H]1CCC[N@H+](CCn2cnnn2)[C@H]1CC[NH3+] ZINC000712574855 712448281 /nfs/dbraw/zinc/44/82/81/712448281.db2.gz DNJOXHMOKWJFBS-QWRGUYRKSA-N 2 0 238.339 0.122 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC2CCC([NH3+])CC2)C1 ZINC000713035376 712451679 /nfs/dbraw/zinc/45/16/79/712451679.db2.gz PAXVMLKQGLGMMZ-KIXCVCCMSA-N 2 0 237.347 0.500 20 0 BCADRP C[C@H](C(N)=O)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714426115 712486116 /nfs/dbraw/zinc/48/61/16/712486116.db2.gz FAXHSUZLVABRNP-SECBINFHSA-N 2 0 227.352 0.557 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715402890 712517032 /nfs/dbraw/zinc/51/70/32/712517032.db2.gz NDVHGWCYXQFIFL-QWHCGFSZSA-N 2 0 242.363 0.851 20 0 BCADRP CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000818610789 712590211 /nfs/dbraw/zinc/59/02/11/712590211.db2.gz VLJFFZKMMBRXNF-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP C[N@H+](CCCCCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000379808445 712605719 /nfs/dbraw/zinc/60/57/19/712605719.db2.gz IINKZZYKDMVENF-CYBMUJFWSA-N 2 0 244.379 0.538 20 0 BCADRP CC[N@@H+]1CCC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925489823 712615586 /nfs/dbraw/zinc/61/55/86/712615586.db2.gz AOPCVFHLKMMUDV-NEPJUHHUSA-N 2 0 227.352 0.049 20 0 BCADRP CN(C[C@@H](O)C[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000379923459 712627798 /nfs/dbraw/zinc/62/77/98/712627798.db2.gz RMSPFKBMCIQPLY-CYBMUJFWSA-N 2 0 241.379 0.127 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037476568 712647564 /nfs/dbraw/zinc/64/75/64/712647564.db2.gz RFVZFHMYSPLBAE-OUAUKWLOSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)C1C[NH2+]C1 ZINC000717605471 712662247 /nfs/dbraw/zinc/66/22/47/712662247.db2.gz AQCPGPSKSIOGEK-KOLCDFICSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@@H]1C[C@H]([NH2+][C@H](CO)C2CC2)CCN1C ZINC000380123122 712688334 /nfs/dbraw/zinc/68/83/34/712688334.db2.gz RAVBLAKZPFKUCE-YUSALJHKSA-N 2 0 212.337 0.830 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000384949635 712707132 /nfs/dbraw/zinc/70/71/32/712707132.db2.gz LMIUOGIZSBABAY-PWSUYJOCSA-N 2 0 228.336 0.332 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000037826124 712768822 /nfs/dbraw/zinc/76/88/22/712768822.db2.gz VMSCTBUWJIZWRB-SNVBAGLBSA-N 2 0 227.352 0.524 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000038029514 712800044 /nfs/dbraw/zinc/80/00/44/712800044.db2.gz MVPOBBQROZFIMN-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]([NH2+]C[C@@H]1COCCO1)C1CC[NH+](C)CC1 ZINC000038060773 712804208 /nfs/dbraw/zinc/80/42/08/712804208.db2.gz GEFKBGWFLXDZKY-DGCLKSJQSA-N 2 0 242.363 0.722 20 0 BCADRP C[C@@H](CNC(=O)C1CC[NH2+]CC1)[NH+](C)C ZINC000038089206 712806656 /nfs/dbraw/zinc/80/66/56/712806656.db2.gz AYSGSWKTJXLGRB-VIFPVBQESA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H](CNC(=O)[C@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000038089261 712806677 /nfs/dbraw/zinc/80/66/77/712806677.db2.gz OXKDYKKZOJWUGJ-ZYHUDNBSSA-N 2 0 235.331 0.753 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000038089208 712807154 /nfs/dbraw/zinc/80/71/54/712807154.db2.gz RVUQSIDBOYKIDG-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H](CNC(=O)CC1CC[NH2+]CC1)[NH+](C)C ZINC000038089289 712807267 /nfs/dbraw/zinc/80/72/67/712807267.db2.gz BBTSVWRBGNZGMZ-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H](CNC(=O)C1([NH3+])CCCCC1)[NH+](C)C ZINC000038089308 712807544 /nfs/dbraw/zinc/80/75/44/712807544.db2.gz VWMSLQASXBCUCO-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]1[C@H](NC[C@H](O)C[NH+](C)C2CC2)CC[N@@H+]1C ZINC000719634344 712814783 /nfs/dbraw/zinc/81/47/83/712814783.db2.gz BLGYUSGOPPUTFS-KGYLQXTDSA-N 2 0 241.379 0.124 20 0 BCADRP CCN(C)C[C@@H](O)C[NH2+][C@H](C)C(C)(C)OC ZINC000720250675 712829586 /nfs/dbraw/zinc/82/95/86/712829586.db2.gz RCFAFPNUOKLWDZ-MNOVXSKESA-N 2 0 232.368 0.702 20 0 BCADRP C[NH2+]CCCN1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720899761 712875288 /nfs/dbraw/zinc/87/52/88/712875288.db2.gz MVQMXFBRXHAOHS-NWDGAFQWSA-N 2 0 211.353 0.764 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000720901472 712876018 /nfs/dbraw/zinc/87/60/18/712876018.db2.gz SALRTASNGGPNAT-USZNOCQGSA-N 2 0 237.347 0.419 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720897502 712876412 /nfs/dbraw/zinc/87/64/12/712876412.db2.gz HTKCPCDZEOIPMH-AXFHLTTASA-N 2 0 225.336 0.289 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H](O)C2)CC[N@@H+]1C ZINC000720956284 712882922 /nfs/dbraw/zinc/88/29/22/712882922.db2.gz IMDQSPQNGIAMSO-DDHJBXDOSA-N 2 0 212.337 0.830 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(CCO)CC1 ZINC000721053861 712888105 /nfs/dbraw/zinc/88/81/05/712888105.db2.gz LJWZWUKTYXVVIZ-YPMHNXCESA-N 2 0 226.364 0.936 20 0 BCADRP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ncc2c(n1)C[NH2+]C2 ZINC001164642415 719196191 /nfs/dbraw/zinc/19/61/91/719196191.db2.gz YFCBIVKYQAWKRZ-UWVGGRQHSA-N 2 0 247.346 0.609 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ncc2c(n1)C[NH2+]C2 ZINC001164642416 719196541 /nfs/dbraw/zinc/19/65/41/719196541.db2.gz YFCBIVKYQAWKRZ-VHSXEESVSA-N 2 0 247.346 0.609 20 0 BCADRP C[N@@H+]1CCO[C@@H]2CN(c3cccc(N)[nH+]3)C[C@@H]21 ZINC001164669117 719381598 /nfs/dbraw/zinc/38/15/98/719381598.db2.gz PYKZUBNJKOSOHG-VHSXEESVSA-N 2 0 234.303 0.183 20 0 BCADRP C[C@H](O)C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062071239 349437583 /nfs/dbraw/zinc/43/75/83/349437583.db2.gz QNLCOZZPVGXVTB-QWRGUYRKSA-N 2 0 200.326 0.689 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000062076638 349437695 /nfs/dbraw/zinc/43/76/95/349437695.db2.gz SICJGYHVZPDTTQ-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CCCN(CCC[NH+](C)C)C(=O)NCC[NH2+]C ZINC000418333672 192025486 /nfs/dbraw/zinc/02/54/86/192025486.db2.gz SFFHQWZIOYWPIW-UHFFFAOYSA-N 2 0 244.383 0.579 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649318507 398141843 /nfs/dbraw/zinc/14/18/43/398141843.db2.gz QYSNYWPBAKIRIB-QCNOEVLYSA-N 2 0 239.363 0.583 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649318441 398142583 /nfs/dbraw/zinc/14/25/83/398142583.db2.gz KWHSZBAYTPVPJB-MXWKQRLJSA-N 2 0 225.336 0.193 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C1CC[NH+](C)CC1 ZINC000236730961 168323243 /nfs/dbraw/zinc/32/32/43/168323243.db2.gz MSYMXKPDBACGPX-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418351117 192026730 /nfs/dbraw/zinc/02/67/30/192026730.db2.gz RLMZPAMQGLTZAU-WDEREUQCSA-N 2 0 242.367 0.413 20 0 BCADRP C[NH2+][C@@H](C)Cc1noc(CC2CC[NH2+]CC2)n1 ZINC000258041773 349491227 /nfs/dbraw/zinc/49/12/27/349491227.db2.gz OMUCFCLXMUZYDR-VIFPVBQESA-N 2 0 238.335 0.762 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000378712386 346812315 /nfs/dbraw/zinc/81/23/15/346812315.db2.gz UYDPOYXFRYJGBO-AEJSXWLSSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000257704721 349481871 /nfs/dbraw/zinc/48/18/71/349481871.db2.gz PEIPLCWNFAJLMW-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000649341956 398158639 /nfs/dbraw/zinc/15/86/39/398158639.db2.gz CQPBTQYRQVRPJF-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063124223 349506547 /nfs/dbraw/zinc/50/65/47/349506547.db2.gz WAULCOMBFUUKJW-NSHDSACASA-N 2 0 227.352 0.524 20 0 BCADRP CN(CC1CC[NH+](C)CC1)C(=O)CCC[NH3+] ZINC000063124093 349506564 /nfs/dbraw/zinc/50/65/64/349506564.db2.gz NJOVNRAJWCKXEV-UHFFFAOYSA-N 2 0 227.352 0.526 20 0 BCADRP C[NH2+]CCCC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063124235 349506620 /nfs/dbraw/zinc/50/66/20/349506620.db2.gz UFMYOWXNRNVGCK-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000062902383 349495923 /nfs/dbraw/zinc/49/59/23/349495923.db2.gz UHBNREILEZWOTA-AAEUAGOBSA-N 2 0 239.363 0.444 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062902386 349496003 /nfs/dbraw/zinc/49/60/03/349496003.db2.gz UHBNREILEZWOTA-WCQYABFASA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1C ZINC000649333344 398149644 /nfs/dbraw/zinc/14/96/44/398149644.db2.gz NQNHGZLCUPKNKP-KKJSVHSVSA-N 2 0 237.347 0.051 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000649341525 398157569 /nfs/dbraw/zinc/15/75/69/398157569.db2.gz DKZSJFLXDQPWSM-NWDGAFQWSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000649340931 398157926 /nfs/dbraw/zinc/15/79/26/398157926.db2.gz AXKMUMQEDFZDRL-SDDRHHMPSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CC(C)(C)[NH3+] ZINC000379804151 398167828 /nfs/dbraw/zinc/16/78/28/398167828.db2.gz NHAQQAVYQCEPQD-QMMMGPOBSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[NH+](C)C ZINC000649355739 398167927 /nfs/dbraw/zinc/16/79/27/398167927.db2.gz FKIMDGKFLCIYIK-BJDJZHNGSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000649355331 398168941 /nfs/dbraw/zinc/16/89/41/398168941.db2.gz HCEKUXPUVDGPFG-GUBZILKMSA-N 2 0 213.325 0.132 20 0 BCADRP C[N@H+](CCn1ccnc1)CCN1CCOCC1 ZINC000161822331 349509436 /nfs/dbraw/zinc/50/94/36/349509436.db2.gz HTSVMIFFSKQXSG-UHFFFAOYSA-N 2 0 238.335 0.147 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000649357614 398170555 /nfs/dbraw/zinc/17/05/55/398170555.db2.gz XLHNIBJWTWUHCP-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H](C(=O)NC1(C)CC[NH2+]CC1)[NH+](C)C ZINC000649359253 398171791 /nfs/dbraw/zinc/17/17/91/398171791.db2.gz RNLUGRSTWQQMTE-VIFPVBQESA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)[NH+](C)C ZINC000649360346 398172742 /nfs/dbraw/zinc/17/27/42/398172742.db2.gz CADZCDDLVOFHQS-ONGXEEELSA-N 2 0 213.325 0.134 20 0 BCADRP C[N@H+](CCC[NH3+])CCOC[C@H]1CCCO1 ZINC000390429440 398173456 /nfs/dbraw/zinc/17/34/56/398173456.db2.gz OHXFHJHDDHWNSO-LLVKDONJSA-N 2 0 216.325 0.463 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[NH+](C)C ZINC000649362386 398175519 /nfs/dbraw/zinc/17/55/19/398175519.db2.gz ASSMXYDVTNVHBH-WCQYABFASA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1C[N@H+](CCc2cn[nH]c2)CC[C@@H]1[NH3+] ZINC000379964725 398175990 /nfs/dbraw/zinc/17/59/90/398175990.db2.gz HAZIPLHUQLWAIA-KOLCDFICSA-N 2 0 208.309 0.621 20 0 BCADRP CC[C@@H](C)C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000093110015 398176341 /nfs/dbraw/zinc/17/63/41/398176341.db2.gz CYDULJRWODVQGR-MNOVXSKESA-N 2 0 202.342 0.935 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[NH+](C)C ZINC000649366331 398176461 /nfs/dbraw/zinc/17/64/61/398176461.db2.gz YOOKYUPYXYVKAO-LPEHRKFASA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H](C(=O)NC(C)(C)CCC[NH3+])[NH+](C)C ZINC000649364009 398176903 /nfs/dbraw/zinc/17/69/03/398176903.db2.gz UEILQWFRPNWZKH-VIFPVBQESA-N 2 0 215.341 0.570 20 0 BCADRP COCC(C)(C)[NH+]1CCN(C[C@@H](C)[NH3+])CC1 ZINC000424289823 398179577 /nfs/dbraw/zinc/17/95/77/398179577.db2.gz CIZBFHDACICGPY-LLVKDONJSA-N 2 0 229.368 0.376 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)[C@H](C)O ZINC000519765438 398180836 /nfs/dbraw/zinc/18/08/36/398180836.db2.gz JERQPKHLUWLPCY-RYUDHWBXSA-N 2 0 232.368 0.704 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN[C@H](C)c1cn[nH]c1 ZINC000584239838 398184098 /nfs/dbraw/zinc/18/40/98/398184098.db2.gz OBJNYIFUQMIBFD-KOLCDFICSA-N 2 0 226.324 0.373 20 0 BCADRP c1cc2c(c(C[NH2+]C[C@H]3CNCCO3)c1)NCC2 ZINC000415095198 398160766 /nfs/dbraw/zinc/16/07/66/398160766.db2.gz LUTMMGXVWCAFSW-CYBMUJFWSA-N 2 0 247.342 0.733 20 0 BCADRP COC(=O)C(C)(C)C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415096952 398161551 /nfs/dbraw/zinc/16/15/51/398161551.db2.gz CEHRPKQLLWBCMQ-GFCCVEGCSA-N 2 0 228.336 0.775 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649348467 398162296 /nfs/dbraw/zinc/16/22/96/398162296.db2.gz LRDKJXYBIUMOGJ-WSLQDRLSSA-N 2 0 249.358 0.051 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649348652 398162363 /nfs/dbraw/zinc/16/23/63/398162363.db2.gz PXGIMJUDZMXHSG-AOBWVBKOSA-N 2 0 249.358 0.336 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[N@@H+]1C1CC1 ZINC000649348481 398162541 /nfs/dbraw/zinc/16/25/41/398162541.db2.gz MBUJQNJZNPJONZ-DTPMLBFTSA-N 2 0 249.358 0.193 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000083884171 398187966 /nfs/dbraw/zinc/18/79/66/398187966.db2.gz NABLCDOVGLSGKK-LLVKDONJSA-N 2 0 225.336 0.293 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000576229307 365530945 /nfs/dbraw/zinc/53/09/45/365530945.db2.gz QNJGWRVODYZJCZ-QFOLPQNPSA-N 2 0 225.336 0.228 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]CC1)N[C@@H]1CCC[NH2+]C1 ZINC000334196328 398193761 /nfs/dbraw/zinc/19/37/61/398193761.db2.gz ZYFFHLGFTGKACE-NWDGAFQWSA-N 2 0 239.363 0.634 20 0 BCADRP CCN(C)C[C@H](O)C[N@H+](C[C@@H](C)O)C(C)C ZINC000576237577 365532710 /nfs/dbraw/zinc/53/27/10/365532710.db2.gz CJVPJQNPJKQXPZ-NEPJUHHUSA-N 2 0 232.368 0.390 20 0 BCADRP C[C@H](NCC1(CO)CC1)[C@H]1CCCC[NH2+]1 ZINC000385993513 398194472 /nfs/dbraw/zinc/19/44/72/398194472.db2.gz FHAWYJABPDNTOO-WDEREUQCSA-N 2 0 212.337 0.879 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@H](C)[NH+](C)C ZINC000649371102 398184271 /nfs/dbraw/zinc/18/42/71/398184271.db2.gz LTYQJGBBLMGFJW-HLTSFMKQSA-N 2 0 201.314 0.179 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000446396496 398204508 /nfs/dbraw/zinc/20/45/08/398204508.db2.gz KCOBAGYGJZXEGU-GHMZBOCLSA-N 2 0 227.352 0.713 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926994 398204719 /nfs/dbraw/zinc/20/47/19/398204719.db2.gz QASHMSJESKZSAK-GRYCIOLGSA-N 2 0 239.363 0.713 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000386661370 398214016 /nfs/dbraw/zinc/21/40/16/398214016.db2.gz SRVBXBCBSHDOAI-SDDRHHMPSA-N 2 0 209.337 0.232 20 0 BCADRP COC[C@H](O)C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000576339504 365569243 /nfs/dbraw/zinc/56/92/43/365569243.db2.gz AMQYZYNTDKJHKL-GFCCVEGCSA-N 2 0 230.352 0.458 20 0 BCADRP CN(C[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000649412602 398215017 /nfs/dbraw/zinc/21/50/17/398215017.db2.gz WWIDQCBKOCXMSE-DGCLKSJQSA-N 2 0 223.364 0.764 20 0 BCADRP Cn1cc(CC[NH+]2CCC(C)([NH3+])CC2)cn1 ZINC000649415929 398215954 /nfs/dbraw/zinc/21/59/54/398215954.db2.gz BFCQTPYCUFAFMS-UHFFFAOYSA-N 2 0 222.336 0.776 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC[NH2+]1 ZINC000647807571 398216627 /nfs/dbraw/zinc/21/66/27/398216627.db2.gz VIFRLRGRWXLGBR-RKDXNWHRSA-N 2 0 247.289 0.052 20 0 BCADRP CC[NH+](CC)CCNC(=O)N(C)CCC[NH3+] ZINC000576330209 365566776 /nfs/dbraw/zinc/56/67/76/365566776.db2.gz AXOOZDQGLDXTOV-UHFFFAOYSA-N 2 0 230.356 0.318 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)CC[NH3+] ZINC000576330501 365566964 /nfs/dbraw/zinc/56/69/64/365566964.db2.gz YDNFEDVEVKAGEA-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP CN(CCC[N@H+](C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000343497916 365599472 /nfs/dbraw/zinc/59/94/72/365599472.db2.gz XJIJDVLFQCUDEL-STQMWFEESA-N 2 0 242.363 0.818 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)CC[NH3+] ZINC000418398532 192033155 /nfs/dbraw/zinc/03/31/55/192033155.db2.gz FMSVFSBNENTOIP-DTWKUNHWSA-N 2 0 216.329 0.006 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000227021102 488173442 /nfs/dbraw/zinc/17/34/42/488173442.db2.gz FHHJAEUFJKWHCV-STQMWFEESA-N 2 0 223.364 0.766 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000418385369 192031380 /nfs/dbraw/zinc/03/13/80/192031380.db2.gz KNIWPUFNIPNSOU-QWRGUYRKSA-N 2 0 244.383 0.515 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)NC(C)(C)C[NH+](C)C ZINC000418386446 192031628 /nfs/dbraw/zinc/03/16/28/192031628.db2.gz LQPNHHZZTKRLDV-JTQLQIEISA-N 2 0 244.383 0.481 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418389250 192032065 /nfs/dbraw/zinc/03/20/65/192032065.db2.gz WEKUBIIYMKUXIA-SNVBAGLBSA-N 2 0 242.367 0.378 20 0 BCADRP CN(CC[NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418394638 192032133 /nfs/dbraw/zinc/03/21/33/192032133.db2.gz YBSCMVRJXIUECP-LLVKDONJSA-N 2 0 242.367 0.494 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418394653 192032237 /nfs/dbraw/zinc/03/22/37/192032237.db2.gz YCIOTNVGFXKOIA-KOLCDFICSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418395119 192032381 /nfs/dbraw/zinc/03/23/81/192032381.db2.gz GZNMNMGQDOLGGJ-IEBDPFPHSA-N 2 0 240.351 0.021 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@H](C)CC[NH3+] ZINC000418398531 192032802 /nfs/dbraw/zinc/03/28/02/192032802.db2.gz FMSVFSBNENTOIP-BDAKNGLRSA-N 2 0 216.329 0.006 20 0 BCADRP CC(C)(C[NH3+])NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418411730 192034185 /nfs/dbraw/zinc/03/41/85/192034185.db2.gz PNGXRELLWCXKKJ-ZJUUUORDSA-N 2 0 242.367 0.540 20 0 BCADRP CC(C)([NH3+])CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418413884 192034743 /nfs/dbraw/zinc/03/47/43/192034743.db2.gz KLUFATCIFGRCBR-DTWKUNHWSA-N 2 0 228.340 0.293 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418417402 192034821 /nfs/dbraw/zinc/03/48/21/192034821.db2.gz VEFFMIXJZQRSBR-UTLUCORTSA-N 2 0 228.340 0.150 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418417400 192034973 /nfs/dbraw/zinc/03/49/73/192034973.db2.gz VEFFMIXJZQRSBR-OPRDCNLKSA-N 2 0 228.340 0.150 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC(C)(C)[NH3+] ZINC000418414779 192034980 /nfs/dbraw/zinc/03/49/80/192034980.db2.gz MAEGFCKJXLINAB-DTWKUNHWSA-N 2 0 228.340 0.021 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418438468 192035550 /nfs/dbraw/zinc/03/55/50/192035550.db2.gz DWSRGQSYYUJBEL-WDEREUQCSA-N 2 0 242.367 0.540 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N1CC[NH2+]CC1 ZINC000418440978 192035741 /nfs/dbraw/zinc/03/57/41/192035741.db2.gz QTBMUNMZYWHSKI-UHFFFAOYSA-N 2 0 228.340 0.119 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NCC1([NH3+])CCC1 ZINC000418446074 192036400 /nfs/dbraw/zinc/03/64/00/192036400.db2.gz NVRUIXZUAKNCGL-SNVBAGLBSA-N 2 0 242.367 0.685 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NC(C)(C)C[NH3+] ZINC000418444814 192036408 /nfs/dbraw/zinc/03/64/08/192036408.db2.gz XERPGHWVVXIZOQ-UHFFFAOYSA-N 2 0 230.356 0.540 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000418442369 192036450 /nfs/dbraw/zinc/03/64/50/192036450.db2.gz MVVQCFPBLDIPCL-VHSXEESVSA-N 2 0 230.356 0.348 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NCC1([NH3+])CCC1 ZINC000418446073 192036723 /nfs/dbraw/zinc/03/67/23/192036723.db2.gz NVRUIXZUAKNCGL-JTQLQIEISA-N 2 0 242.367 0.685 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167529999 488175641 /nfs/dbraw/zinc/17/56/41/488175641.db2.gz XFFAZMUCYDEWBM-TUAOUCFPSA-N 2 0 239.363 0.537 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C)[C@H](C)[C@H]1C ZINC000576475414 365606470 /nfs/dbraw/zinc/60/64/70/365606470.db2.gz CXDOKPIRPDBRGQ-UPJWGTAASA-N 2 0 243.395 0.323 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)CC(C)(C)[NH3+] ZINC000379956681 398243353 /nfs/dbraw/zinc/24/33/53/398243353.db2.gz GFCKEMFKEPIICN-MRVPVSSYSA-N 2 0 201.314 0.228 20 0 BCADRP C[C@@H](c1nc([C@@H]2CCC[NH2+]2)no1)[C@H](C)[NH3+] ZINC000381251907 398244236 /nfs/dbraw/zinc/24/42/36/398244236.db2.gz PSQHLUJXVDLKJE-CSMHCCOUSA-N 2 0 210.281 0.945 20 0 BCADRP C[C@H]1OCC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000336778247 398245076 /nfs/dbraw/zinc/24/50/76/398245076.db2.gz KUICDSLTQALJAC-MNOVXSKESA-N 2 0 228.336 0.210 20 0 BCADRP C[C@H]1CN(C(=O)C2([NH3+])CCC2)CC[C@@H]1[NH3+] ZINC000576517014 365614883 /nfs/dbraw/zinc/61/48/83/365614883.db2.gz RSSQNYMRIHLHCJ-IUCAKERBSA-N 2 0 211.309 0.064 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000069839291 398249377 /nfs/dbraw/zinc/24/93/77/398249377.db2.gz LPAVPAFUCGGSNP-LLVKDONJSA-N 2 0 227.352 0.666 20 0 BCADRP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CSCN1 ZINC000576585236 365632443 /nfs/dbraw/zinc/63/24/43/365632443.db2.gz RWZQQEFOLJKXHV-UWVGGRQHSA-N 2 0 243.376 0.297 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)NCC[N@H+](C)C1CC1 ZINC000417630153 398245629 /nfs/dbraw/zinc/24/56/29/398245629.db2.gz TUWJWXGNYACUDI-SNVBAGLBSA-N 2 0 242.367 0.235 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000036135328 398246161 /nfs/dbraw/zinc/24/61/61/398246161.db2.gz LJLWARLMLYWYTB-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000381348310 398253998 /nfs/dbraw/zinc/25/39/98/398253998.db2.gz ZTJHCJWWLPLFCQ-WPRPVWTQSA-N 2 0 211.309 0.077 20 0 BCADRP [NH3+]CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000381353268 398254233 /nfs/dbraw/zinc/25/42/33/398254233.db2.gz BVQFJXQHQUZSMF-SECBINFHSA-N 2 0 227.695 0.415 20 0 BCADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000381410659 398253747 /nfs/dbraw/zinc/25/37/47/398253747.db2.gz UIPJFKRIAUBZTC-RYUDHWBXSA-N 2 0 210.321 0.708 20 0 BCADRP OCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000168835687 538945387 /nfs/dbraw/zinc/94/53/87/538945387.db2.gz JDWOZFITACMYCV-NWDGAFQWSA-N 2 0 224.348 0.975 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000036192167 398257370 /nfs/dbraw/zinc/25/73/70/398257370.db2.gz VKFMCJWMEVQSQE-LLVKDONJSA-N 2 0 225.336 0.291 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000576700315 365661181 /nfs/dbraw/zinc/66/11/81/365661181.db2.gz GOHSNVHMERWDED-JTQLQIEISA-N 2 0 225.336 0.183 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000576701830 365663148 /nfs/dbraw/zinc/66/31/48/365663148.db2.gz NQVOWTJHDFZQQQ-KKOKHZNYSA-N 2 0 239.363 0.748 20 0 BCADRP CCOC[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000381603465 398254372 /nfs/dbraw/zinc/25/43/72/398254372.db2.gz OVTDLFWDNXOODW-NWDGAFQWSA-N 2 0 212.337 0.954 20 0 BCADRP [NH3+]C1(C(=O)NCC2CC[NH2+]CC2)CCCCC1 ZINC000576729974 365671747 /nfs/dbraw/zinc/67/17/47/365671747.db2.gz PRRZINFQGKAZLD-UHFFFAOYSA-N 2 0 239.363 0.764 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CCC[NH2+]CC1)[C@H](C)[NH3+] ZINC000381369862 398254470 /nfs/dbraw/zinc/25/44/70/398254470.db2.gz HFBMLCDEMLIJCB-UTLUCORTSA-N 2 0 213.325 0.228 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000576753198 365677085 /nfs/dbraw/zinc/67/70/85/365677085.db2.gz CQUDDCXEPKOFCT-MXWKQRLJSA-N 2 0 227.352 0.489 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1CCC[NH2+]1 ZINC000381556598 398262703 /nfs/dbraw/zinc/26/27/03/398262703.db2.gz OYIOYLNUABENJK-KOLCDFICSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+]CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417781389 398267491 /nfs/dbraw/zinc/26/74/91/398267491.db2.gz JPLMJGNQIVDHLY-SECBINFHSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000378785484 346832288 /nfs/dbraw/zinc/83/22/88/346832288.db2.gz LBGGOVJIBPQIML-GUBZILKMSA-N 2 0 213.325 0.086 20 0 BCADRP [NH3+][C@H](CNC(=O)CC1([NH3+])CCC1)C1CC1 ZINC000381646035 398268569 /nfs/dbraw/zinc/26/85/69/398268569.db2.gz QKUQMADESOVQCI-SECBINFHSA-N 2 0 211.309 0.111 20 0 BCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000334925560 398274195 /nfs/dbraw/zinc/27/41/95/398274195.db2.gz LPKCEHZERVMQOS-GHMZBOCLSA-N 2 0 240.351 0.084 20 0 BCADRP C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)[C@H](C)[NH3+] ZINC000165283011 361838199 /nfs/dbraw/zinc/83/81/99/361838199.db2.gz SEKHVCHGISJFOL-UTLUCORTSA-N 2 0 213.325 0.038 20 0 BCADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](C)CO)C1 ZINC000678043379 488179059 /nfs/dbraw/zinc/17/90/59/488179059.db2.gz BPNXUTKZGRIRGC-NWDGAFQWSA-N 2 0 214.353 0.888 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418486251 192041259 /nfs/dbraw/zinc/04/12/59/192041259.db2.gz IDTVPZFBYPKPBI-GXSJLCMTSA-N 2 0 242.367 0.398 20 0 BCADRP CCC[NH2+]CCNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000418487136 192040925 /nfs/dbraw/zinc/04/09/25/192040925.db2.gz HRIQNZRWHGYXAG-UHFFFAOYSA-N 2 0 244.383 0.612 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000418488098 192040936 /nfs/dbraw/zinc/04/09/36/192040936.db2.gz JPFBOXIODWDCSU-WDEREUQCSA-N 2 0 242.367 0.426 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H](C)C[NH3+] ZINC000418490855 192041386 /nfs/dbraw/zinc/04/13/86/192041386.db2.gz NLJBQFNJFWZFKA-GHMZBOCLSA-N 2 0 244.383 0.596 20 0 BCADRP CCC[NH2+]CCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000418493459 192041545 /nfs/dbraw/zinc/04/15/45/192041545.db2.gz XZXFRJBJXKIVAI-SNVBAGLBSA-N 2 0 228.340 0.119 20 0 BCADRP CC1CC([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000166622722 361852890 /nfs/dbraw/zinc/85/28/90/361852890.db2.gz AEJIGUFLZLJKEI-HTAVTVPLSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000418494039 192042282 /nfs/dbraw/zinc/04/22/82/192042282.db2.gz RQKVIUKETDJDCV-MXWKQRLJSA-N 2 0 242.367 0.350 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418494282 192042388 /nfs/dbraw/zinc/04/23/88/192042388.db2.gz RXAOGROTAKVXJM-OPRDCNLKSA-N 2 0 228.340 0.150 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CN1CCC[NH+](C)CC1 ZINC000649481882 398279560 /nfs/dbraw/zinc/27/95/60/398279560.db2.gz VOXKIHJOEMTHIQ-GFCCVEGCSA-N 2 0 211.353 0.718 20 0 BCADRP CCOC[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219320901 342722267 /nfs/dbraw/zinc/72/22/67/342722267.db2.gz FSYKLWPNKNEUBQ-LLVKDONJSA-N 2 0 218.341 0.579 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000583921133 342723125 /nfs/dbraw/zinc/72/31/25/342723125.db2.gz SYQJHIIHHNVNRI-USZNOCQGSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH2+]CCC(=O)N1CCC(C[NH2+]C)CC1 ZINC000309628055 342759841 /nfs/dbraw/zinc/75/98/41/342759841.db2.gz JNGPXLSLKQVBNQ-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP C[NH2+]CCC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000309629131 342760338 /nfs/dbraw/zinc/76/03/38/342760338.db2.gz JXOMZTAZDFIGCW-ZJUUUORDSA-N 2 0 213.325 0.100 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](C)[NH2+]CC ZINC000418453161 192042837 /nfs/dbraw/zinc/04/28/37/192042837.db2.gz YSVVBCHJSGIIFU-GHMZBOCLSA-N 2 0 244.383 0.801 20 0 BCADRP C[C@@]1(C(=O)NC[C@]2(C)CCC[NH2+]C2)CCC[NH2+]1 ZINC000580293497 346861014 /nfs/dbraw/zinc/86/10/14/346861014.db2.gz UHQGSSMXBSDLQE-OLZOCXBDSA-N 2 0 239.363 0.634 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000418450312 192042919 /nfs/dbraw/zinc/04/29/19/192042919.db2.gz TWJNSGCHIWHFDN-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP C[N@H+](CC(=O)N1CCc2[nH]cnc2C1)C1CCC1 ZINC000629995251 361882795 /nfs/dbraw/zinc/88/27/95/361882795.db2.gz ZRRORHLCYVTYKS-UHFFFAOYSA-N 2 0 248.330 0.779 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)NCC2([NH3+])CCC2)C1 ZINC000418505832 192045045 /nfs/dbraw/zinc/04/50/45/192045045.db2.gz FFBRZHNSIJZACS-VHSXEESVSA-N 2 0 240.351 0.437 20 0 BCADRP CC[N@@H+]1C[C@@H](C)N(C(=O)N[C@H](C)C[NH3+])C[C@H]1C ZINC000418509037 192044828 /nfs/dbraw/zinc/04/48/28/192044828.db2.gz ATXJBCXALGQJGT-GMTAPVOTSA-N 2 0 242.367 0.458 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418506709 192044516 /nfs/dbraw/zinc/04/45/16/192044516.db2.gz ACZDKHMZEPINKH-PSASIEDQSA-N 2 0 228.340 0.150 20 0 BCADRP CN(CC[NH+](C)C)C(=O)NCC1([NH3+])CCC1 ZINC000418506873 192044885 /nfs/dbraw/zinc/04/48/85/192044885.db2.gz HTGRGNCZWMIFCN-UHFFFAOYSA-N 2 0 228.340 0.071 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C)C[NH3+])C[C@@H]1C ZINC000418509042 192045006 /nfs/dbraw/zinc/04/50/06/192045006.db2.gz ATXJBCXALGQJGT-VWYCJHECSA-N 2 0 242.367 0.458 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH2+]CC2)CC[NH2+]1 ZINC000630048473 361916953 /nfs/dbraw/zinc/91/69/53/361916953.db2.gz ZXWYCBKPYMCSAC-KOLCDFICSA-N 2 0 240.351 0.178 20 0 BCADRP CC1(NC(=O)NC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000630048410 361917840 /nfs/dbraw/zinc/91/78/40/361917840.db2.gz YPBGQIXPZXQGAN-UHFFFAOYSA-N 2 0 240.351 0.180 20 0 BCADRP C[NH2+]CCC[NH+]1CCC(CCO)CC1 ZINC000401046549 398288447 /nfs/dbraw/zinc/28/84/47/398288447.db2.gz WDECNBMWDYIWIX-UHFFFAOYSA-N 2 0 200.326 0.690 20 0 BCADRP CC[C@H](C)[NH+]1CCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000418512987 192045822 /nfs/dbraw/zinc/04/58/22/192045822.db2.gz LYEKRCWUOKFDJU-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000336471197 342806470 /nfs/dbraw/zinc/80/64/70/342806470.db2.gz BJPKRSCBUSKXIF-LBPRGKRZSA-N 2 0 239.363 0.492 20 0 BCADRP CC(C)N(CC[NH+](C)C)C(=O)N[C@H](C)CC[NH3+] ZINC000418514956 192046224 /nfs/dbraw/zinc/04/62/24/192046224.db2.gz BEOBPECIJVJOJY-LLVKDONJSA-N 2 0 244.383 0.705 20 0 BCADRP CC[NH+](CC)CCC[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000191895279 538993245 /nfs/dbraw/zinc/99/32/45/538993245.db2.gz FPABELPOAZCBPY-STQMWFEESA-N 2 0 246.395 0.782 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000335621918 136240194 /nfs/dbraw/zinc/24/01/94/136240194.db2.gz CAXPFVUSIMEODD-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCC[NH3+])C1 ZINC000417818737 398293663 /nfs/dbraw/zinc/29/36/63/398293663.db2.gz BHRKDEINYHYEQF-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP CC[NH+](CC)CCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000381470475 539001591 /nfs/dbraw/zinc/00/15/91/539001591.db2.gz OIBBFDTUZMCWCI-STQMWFEESA-N 2 0 225.380 0.870 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000418519161 192047206 /nfs/dbraw/zinc/04/72/06/192047206.db2.gz ZYOAMKYPIGJGKQ-BBBLOLIVSA-N 2 0 228.340 0.068 20 0 BCADRP C[C@]1(C(=O)N2CC[NH2+]C(C)(C)C2)CC[NH2+]C1 ZINC000335626418 136240795 /nfs/dbraw/zinc/24/07/95/136240795.db2.gz DYTLGJDOSCRMMJ-LBPRGKRZSA-N 2 0 225.336 0.196 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)NCC[C@H](C)[NH3+] ZINC000417816690 398293755 /nfs/dbraw/zinc/29/37/55/398293755.db2.gz QPFQJIPYNOCNOU-NSHDSACASA-N 2 0 244.383 0.755 20 0 BCADRP [NH3+]CCCC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000521620398 259324792 /nfs/dbraw/zinc/32/47/92/259324792.db2.gz LUGDWXAPYSWWHB-XYPYZODXSA-N 2 0 227.352 0.607 20 0 BCADRP C[N@H+](CCC[NH2+]CCC(N)=O)Cc1ccccc1 ZINC000036925710 398297243 /nfs/dbraw/zinc/29/72/43/398297243.db2.gz FXYDHIAIGQEIHQ-UHFFFAOYSA-N 2 0 249.358 0.974 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000418536021 192049283 /nfs/dbraw/zinc/04/92/83/192049283.db2.gz BKVVZEJLQDTXQC-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418533747 192048865 /nfs/dbraw/zinc/04/88/65/192048865.db2.gz WACODDPVKFBIIY-IVZWLZJFSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418534850 192048871 /nfs/dbraw/zinc/04/88/71/192048871.db2.gz XWHJBZMQLLNFGW-ONGXEEELSA-N 2 0 242.367 0.540 20 0 BCADRP C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)OC1CCOCC1 ZINC000625098931 342855105 /nfs/dbraw/zinc/85/51/05/342855105.db2.gz QQFPYQGKDNSJFI-VXGBXAGGSA-N 2 0 240.347 0.333 20 0 BCADRP [NH3+]CC1(Cc2nc(C3([NH3+])CCC3)no2)CC1 ZINC000583993452 342855191 /nfs/dbraw/zinc/85/51/91/342855191.db2.gz CVSDBCCCYRKSJH-UHFFFAOYSA-N 2 0 222.292 0.689 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1CSCN1)C(C)C ZINC000167204077 136244602 /nfs/dbraw/zinc/24/46/02/136244602.db2.gz FORIULFKVVDDCL-SNVBAGLBSA-N 2 0 245.392 0.495 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000335646860 136243656 /nfs/dbraw/zinc/24/36/56/136243656.db2.gz OWPJSGWXUXUHDW-MNOVXSKESA-N 2 0 211.353 0.716 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000309779951 342896653 /nfs/dbraw/zinc/89/66/53/342896653.db2.gz MQUFNMVVNRCCEP-LPEHRKFASA-N 2 0 213.325 0.038 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418555787 192050192 /nfs/dbraw/zinc/05/01/92/192050192.db2.gz DULAWZQGGHTKOS-UTLUCORTSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418559356 192050256 /nfs/dbraw/zinc/05/02/56/192050256.db2.gz CHTGYWYKRGSXNE-UWVGGRQHSA-N 2 0 242.367 0.411 20 0 BCADRP CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418558917 192050348 /nfs/dbraw/zinc/05/03/48/192050348.db2.gz CDCMYDDMGKLORP-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418555813 192050457 /nfs/dbraw/zinc/05/04/57/192050457.db2.gz ACZDKHMZEPINKH-WPRPVWTQSA-N 2 0 228.340 0.150 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418567884 192051869 /nfs/dbraw/zinc/05/18/69/192051869.db2.gz GVTOXASMNQTDSO-GMTAPVOTSA-N 2 0 242.367 0.282 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418567885 192051920 /nfs/dbraw/zinc/05/19/20/192051920.db2.gz GVTOXASMNQTDSO-HBNTYKKESA-N 2 0 242.367 0.282 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000418566355 192051397 /nfs/dbraw/zinc/05/13/97/192051397.db2.gz MVDOAXCUFMXYCS-UWVGGRQHSA-N 2 0 228.340 0.069 20 0 BCADRP C[NH+](C)CCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418572184 192052158 /nfs/dbraw/zinc/05/21/58/192052158.db2.gz SHKLPYXZDVJACZ-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP C[NH+](C)CCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418572185 192052411 /nfs/dbraw/zinc/05/24/11/192052411.db2.gz SHKLPYXZDVJACZ-ZJUUUORDSA-N 2 0 228.340 0.117 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000648106658 398326940 /nfs/dbraw/zinc/32/69/40/398326940.db2.gz JXMZGBSDGXSPNZ-GFCCVEGCSA-N 2 0 248.330 0.649 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418586185 192053516 /nfs/dbraw/zinc/05/35/16/192053516.db2.gz PZASHGJNKYAMTK-VWYCJHECSA-N 2 0 242.367 0.554 20 0 BCADRP CC(C)(C[NH3+])NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418585930 192053679 /nfs/dbraw/zinc/05/36/79/192053679.db2.gz ZATVGKDKBFALDF-SECBINFHSA-N 2 0 228.340 0.165 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418586184 192053800 /nfs/dbraw/zinc/05/38/00/192053800.db2.gz PZASHGJNKYAMTK-OUAUKWLOSA-N 2 0 242.367 0.554 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)C[C@H](C)[NH3+])CC1 ZINC000037476626 398327829 /nfs/dbraw/zinc/32/78/29/398327829.db2.gz YCSBDZMLUULZQH-JTQLQIEISA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037485373 398329044 /nfs/dbraw/zinc/32/90/44/398329044.db2.gz FXZBNNDWKTWROK-VHSXEESVSA-N 2 0 225.336 0.324 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N(C)C1CC([NH3+])C1 ZINC000418605388 192054745 /nfs/dbraw/zinc/05/47/45/192054745.db2.gz UAEFPUANFXZTIV-XNWIYYODSA-N 2 0 228.340 0.116 20 0 BCADRP CC[NH+](CC)CCNC(=O)C[C@@H](C)[NH3+] ZINC000037475679 342936054 /nfs/dbraw/zinc/93/60/54/342936054.db2.gz IVGKUNBPYDHERP-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037476564 398330486 /nfs/dbraw/zinc/33/04/86/398330486.db2.gz RFVZFHMYSPLBAE-HBNTYKKESA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000580310202 346889513 /nfs/dbraw/zinc/88/95/13/346889513.db2.gz AOWCZASLIIMBFP-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418595776 192055301 /nfs/dbraw/zinc/05/53/01/192055301.db2.gz XGIINKHWZLQRSF-VLEAKVRGSA-N 2 0 240.351 0.387 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000037821718 398334607 /nfs/dbraw/zinc/33/46/07/398334607.db2.gz FTTYMTOUERBUOZ-NSHDSACASA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@H](C)[NH+](C)C ZINC000038089355 398335936 /nfs/dbraw/zinc/33/59/36/398335936.db2.gz RLRUMBUHXDTYDQ-JTQLQIEISA-N 2 0 215.341 0.441 20 0 BCADRP CNC(=O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157352235 398340229 /nfs/dbraw/zinc/34/02/29/398340229.db2.gz NWCFHBMYIDLSKT-NSHDSACASA-N 2 0 225.336 0.150 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000157805867 398342984 /nfs/dbraw/zinc/34/29/84/398342984.db2.gz LNDHMYNZXRPDNJ-AXFHLTTASA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)([NH3+])CCC(=O)NCCC[NH2+]C1CC1 ZINC000648202548 398344639 /nfs/dbraw/zinc/34/46/39/398344639.db2.gz OQWDMGVONZJWJH-UHFFFAOYSA-N 2 0 227.352 0.762 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000040503551 346903468 /nfs/dbraw/zinc/90/34/68/346903468.db2.gz GHTHKXZUQYQZOI-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP CN1CCN(C(=O)CN2CC[C@](C)(F)C2)CC1 ZINC000335901148 136259088 /nfs/dbraw/zinc/25/90/88/136259088.db2.gz NJKDVDVCNCDXIP-LBPRGKRZSA-N 2 0 243.326 0.194 20 0 BCADRP COC[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037859763 342987042 /nfs/dbraw/zinc/98/70/42/342987042.db2.gz AIPWWJIEPIBERG-QWRGUYRKSA-N 2 0 216.325 0.068 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000050464313 343022785 /nfs/dbraw/zinc/02/27/85/343022785.db2.gz FLRXNLAYPZMNOM-NWDGAFQWSA-N 2 0 237.347 0.420 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000309506997 259343508 /nfs/dbraw/zinc/34/35/08/259343508.db2.gz WEFCXGFSSGVLOP-ZJUUUORDSA-N 2 0 213.325 0.087 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@H](C)C[NH2+]C ZINC000236678109 534932318 /nfs/dbraw/zinc/93/23/18/534932318.db2.gz BIHZDIVNAYFVIN-SNVBAGLBSA-N 2 0 229.368 0.723 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000562809977 323031187 /nfs/dbraw/zinc/03/11/87/323031187.db2.gz ZVQHVWYZJFMHDG-GMXVVIOVSA-N 2 0 239.363 0.477 20 0 BCADRP C[NH2+]CCCN1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000309495053 259343473 /nfs/dbraw/zinc/34/34/73/259343473.db2.gz TUVAQYCYRLLPFI-QWRGUYRKSA-N 2 0 215.341 0.034 20 0 BCADRP CCOC(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000602877964 349790150 /nfs/dbraw/zinc/79/01/50/349790150.db2.gz MSMXKJRYPFVIEW-UHFFFAOYSA-N 2 0 240.347 0.967 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089360 343059195 /nfs/dbraw/zinc/05/91/95/343059195.db2.gz UOFYPLZWXIIIHA-KOLCDFICSA-N 2 0 215.341 0.570 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089357 343059364 /nfs/dbraw/zinc/05/93/64/343059364.db2.gz JMVMNPFQGAIKFE-NXEZZACHSA-N 2 0 215.341 0.570 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H](C)[NH3+] ZINC000236752163 259346514 /nfs/dbraw/zinc/34/65/14/259346514.db2.gz RQNLZDLCRNWXMJ-BDAKNGLRSA-N 2 0 201.314 0.165 20 0 BCADRP CC(C)[C@@H]([NH3+])c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000584882025 343083579 /nfs/dbraw/zinc/08/35/79/343083579.db2.gz XTYNVBBSKZURHJ-WCBMZHEXSA-N 2 0 209.297 0.468 20 0 BCADRP [NH3+]CCCN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000565225991 323034526 /nfs/dbraw/zinc/03/45/26/323034526.db2.gz IHDSCYJGAFARDA-CYBMUJFWSA-N 3 0 241.379 0.522 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CCC([NH2+]C)CC1 ZINC000236636244 343104907 /nfs/dbraw/zinc/10/49/07/343104907.db2.gz HCOMGURZZZEPIS-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1([NH3+])CC1 ZINC000236721701 343109294 /nfs/dbraw/zinc/10/92/94/343109294.db2.gz IOBFSRWWNWIVCY-VIFPVBQESA-N 2 0 213.325 0.310 20 0 BCADRP C[NH2+]CC1CC[NH+](Cc2cnnn2C)CC1 ZINC000347194414 136269160 /nfs/dbraw/zinc/26/91/60/136269160.db2.gz GXGKSZZVQRGZBJ-UHFFFAOYSA-N 2 0 223.324 0.247 20 0 BCADRP C[NH2+]CCNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000237051122 343121981 /nfs/dbraw/zinc/12/19/81/343121981.db2.gz VFHKAXNQPGJCKE-JTQLQIEISA-N 2 0 227.352 0.348 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000237062212 343122268 /nfs/dbraw/zinc/12/22/68/343122268.db2.gz ATOQIBKTABWNAX-NSHDSACASA-N 2 0 221.304 0.065 20 0 BCADRP CC[NH2+]CC1CC[NH+]([C@@H](CC)C(N)=O)CC1 ZINC000082645688 362074139 /nfs/dbraw/zinc/07/41/39/362074139.db2.gz OZYHJGRYUZHZRD-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000049556991 343111651 /nfs/dbraw/zinc/11/16/51/343111651.db2.gz IORUFOHZFBJFKW-NWDGAFQWSA-N 2 0 240.351 0.174 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C1CC[NH2+]CC1 ZINC000236877831 343112885 /nfs/dbraw/zinc/11/28/85/343112885.db2.gz QCHCKDYYAZSSJO-LLVKDONJSA-N 2 0 227.352 0.620 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC000236887803 343113578 /nfs/dbraw/zinc/11/35/78/343113578.db2.gz NUBRPXGZIORQOJ-KOLCDFICSA-N 2 0 227.352 0.557 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000236943290 343116084 /nfs/dbraw/zinc/11/60/84/343116084.db2.gz GRJVHGSTRUIJHY-VWYCJHECSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)CCC1CC[NH2+]CC1 ZINC000237522027 343147248 /nfs/dbraw/zinc/14/72/48/343147248.db2.gz BZOXPQZAQYCGIR-SNVBAGLBSA-N 2 0 227.352 0.477 20 0 BCADRP CC[C@]1(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CCC[NH2+]1 ZINC000576876143 365711200 /nfs/dbraw/zinc/71/12/00/365711200.db2.gz LUAOTGLXANSKRG-JBLDHEPKSA-N 2 0 227.352 0.761 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000092951301 343148993 /nfs/dbraw/zinc/14/89/93/343148993.db2.gz JZOGJTBTDZLWDP-NEPJUHHUSA-N 2 0 239.363 0.537 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000370778926 343125712 /nfs/dbraw/zinc/12/57/12/343125712.db2.gz IMKVQKUGBBHIJA-PWSUYJOCSA-N 2 0 243.326 0.289 20 0 BCADRP [NH3+]CC1(C(=O)NCC2CC[NH2+]CC2)CCCC1 ZINC000120499184 343125990 /nfs/dbraw/zinc/12/59/90/343125990.db2.gz SZQUNVPYCXBLPP-UHFFFAOYSA-N 2 0 239.363 0.621 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000237126831 343127018 /nfs/dbraw/zinc/12/70/18/343127018.db2.gz PLWZJXPLWVNJAZ-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000237176560 343128299 /nfs/dbraw/zinc/12/82/99/343128299.db2.gz NYMIKNLXMFZXJL-LBPRGKRZSA-N 2 0 235.331 0.802 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000237231859 343131005 /nfs/dbraw/zinc/13/10/05/343131005.db2.gz YFXWMGKXMFYKTM-SNVBAGLBSA-N 2 0 207.277 0.022 20 0 BCADRP C[C@@H](CC(=O)NCCC[NH3+])C1CC[NH2+]CC1 ZINC000237424229 343139266 /nfs/dbraw/zinc/13/92/66/343139266.db2.gz VJLCZRNNDASSKD-JTQLQIEISA-N 2 0 227.352 0.477 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000092956418 343150112 /nfs/dbraw/zinc/15/01/12/343150112.db2.gz DRXAURSSEIQYSS-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@H](O)C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000576936168 365725761 /nfs/dbraw/zinc/72/57/61/365725761.db2.gz DBOBDKKDWXQMTN-OLZOCXBDSA-N 2 0 244.379 0.848 20 0 BCADRP C[NH+](C)CC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000130194719 343180246 /nfs/dbraw/zinc/18/02/46/343180246.db2.gz XAWXFLOSSDHGAB-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H](NC(=O)NC(C)(C)C[NH+](C)C)[C@H](C)[NH3+] ZINC000418693315 192061213 /nfs/dbraw/zinc/06/12/13/192061213.db2.gz GSRJNDZWVTVIGF-DTWKUNHWSA-N 2 0 230.356 0.362 20 0 BCADRP C[C@@]1(C(=O)N2CCC(C[NH3+])CC2)CCCC[NH2+]1 ZINC000237482718 136272189 /nfs/dbraw/zinc/27/21/89/136272189.db2.gz NEQBSWSYCZIBAI-ZDUSSCGKSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H](CC(=O)N1CC[C@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000237542655 136272212 /nfs/dbraw/zinc/27/22/12/136272212.db2.gz HNACABGVFAVCNO-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](CC(=O)N1CC[C@@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000237541167 136272336 /nfs/dbraw/zinc/27/23/36/136272336.db2.gz HNACABGVFAVCNO-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)NC(C)(C)C[NH+](C)C ZINC000418693316 192060896 /nfs/dbraw/zinc/06/08/96/192060896.db2.gz GSRJNDZWVTVIGF-IUCAKERBSA-N 2 0 230.356 0.362 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000148070083 343196208 /nfs/dbraw/zinc/19/62/08/343196208.db2.gz WZRWVNJSNBQBJM-NSHDSACASA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H](CC(=O)N1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000157012143 343199415 /nfs/dbraw/zinc/19/94/15/343199415.db2.gz VWAYPTYQOYVYIE-RYUDHWBXSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)N(C)C)C1 ZINC000168558451 343210481 /nfs/dbraw/zinc/21/04/81/343210481.db2.gz ODKKJJWPPUYQQK-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000237970097 343221166 /nfs/dbraw/zinc/22/11/66/343221166.db2.gz IZPTVFYBPMAXAW-IJLUTSLNSA-N 2 0 239.363 0.620 20 0 BCADRP C[NH2+]CCC[N@H+](C)CCCC(=O)OC ZINC000087471986 136281478 /nfs/dbraw/zinc/28/14/78/136281478.db2.gz MMTTWWGWOZAPAE-UHFFFAOYSA-N 2 0 202.298 0.481 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N(C)CCC[NH2+]C ZINC000087471661 136281543 /nfs/dbraw/zinc/28/15/43/136281543.db2.gz ZCDPHSRAEKMHGT-SNVBAGLBSA-N 2 0 215.341 0.572 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000418697239 192061593 /nfs/dbraw/zinc/06/15/93/192061593.db2.gz LPYFCIBDCWRFRC-YTWAJWBKSA-N 2 0 242.367 0.456 20 0 BCADRP [NH3+][C@H](C(=O)NC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000238019992 343238137 /nfs/dbraw/zinc/23/81/37/343238137.db2.gz LIMZRVDCFVABSK-YPMHNXCESA-N 2 0 247.342 0.802 20 0 BCADRP C[NH2+]CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000088091216 136284305 /nfs/dbraw/zinc/28/43/05/136284305.db2.gz SXHIALZJKHAQMU-MNOVXSKESA-N 2 0 225.336 0.149 20 0 BCADRP C[NH2+]CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000088091218 136284329 /nfs/dbraw/zinc/28/43/29/136284329.db2.gz SXHIALZJKHAQMU-QWRGUYRKSA-N 2 0 225.336 0.149 20 0 BCADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCO)CC[C@@H]21 ZINC000088091291 136284397 /nfs/dbraw/zinc/28/43/97/136284397.db2.gz QBVUDGSVTGYKIO-NEPJUHHUSA-N 2 0 212.337 0.785 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000634688587 343249069 /nfs/dbraw/zinc/24/90/69/343249069.db2.gz XAZAZEZELMXZQU-NWDGAFQWSA-N 2 0 230.352 0.722 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000019413524 343249648 /nfs/dbraw/zinc/24/96/48/343249648.db2.gz WYZCOZZBXJSMNN-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000340083163 136285959 /nfs/dbraw/zinc/28/59/59/136285959.db2.gz QHKOOAJDVFKJEC-QJPTWQEYSA-N 2 0 241.379 0.851 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000340083166 136286053 /nfs/dbraw/zinc/28/60/53/136286053.db2.gz QHKOOAJDVFKJEC-UTUOFQBUSA-N 2 0 241.379 0.851 20 0 BCADRP Cc1nccn1CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000348750805 136296730 /nfs/dbraw/zinc/29/67/30/136296730.db2.gz PTOJJDSSTAGJJQ-STQMWFEESA-N 2 0 234.347 0.733 20 0 BCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000335613223 136295765 /nfs/dbraw/zinc/29/57/65/136295765.db2.gz TWICHOCDOZZTIA-QWRGUYRKSA-N 2 0 240.351 0.084 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H](CO)C1 ZINC000621373561 343316694 /nfs/dbraw/zinc/31/66/94/343316694.db2.gz KUWWGSKRVVDUBZ-XQQFMLRXSA-N 2 0 244.379 0.249 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335626886 136299830 /nfs/dbraw/zinc/29/98/30/136299830.db2.gz KXUJQRXNHIROJY-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP CC1(C)C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000037482601 343347006 /nfs/dbraw/zinc/34/70/06/343347006.db2.gz CMIBMDPSKROBND-UHFFFAOYSA-N 2 0 227.352 0.002 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C2(C)C[NH2+]C2)CC[N@@H+]1C ZINC000335648360 136304305 /nfs/dbraw/zinc/30/43/05/136304305.db2.gz GDNFYBRURYNSIX-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@]1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000335654721 136306093 /nfs/dbraw/zinc/30/60/93/136306093.db2.gz ZVFFVOWUKWSUCH-WPRPVWTQSA-N 2 0 247.289 0.099 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000335653884 136306229 /nfs/dbraw/zinc/30/62/29/136306229.db2.gz OENKMNJOVDZOKL-SSDOTTSWSA-N 2 0 235.278 0.085 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C2([NH3+])CCC2)C1 ZINC000335656777 136306358 /nfs/dbraw/zinc/30/63/58/136306358.db2.gz PEXBYUWMDWTWQT-RKDXNWHRSA-N 2 0 211.309 0.254 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C2([NH3+])CCC2)C1 ZINC000335656771 136306533 /nfs/dbraw/zinc/30/65/33/136306533.db2.gz PEXBYUWMDWTWQT-BDAKNGLRSA-N 2 0 211.309 0.254 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1CC12CC[NH2+]CC2 ZINC000335666023 136310942 /nfs/dbraw/zinc/31/09/42/136310942.db2.gz SUEMIFJLWRPNFW-WDEREUQCSA-N 2 0 237.347 0.244 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000156910510 133475562 /nfs/dbraw/zinc/47/55/62/133475562.db2.gz ZSMIAKKTXAPNLV-QJPTWQEYSA-N 2 0 241.379 0.912 20 0 BCADRP CC[NH2+]CCCNC(=O)NC(C)(C)C[NH+](C)C ZINC000569946952 323045456 /nfs/dbraw/zinc/04/54/56/323045456.db2.gz GKXUTJKJVJENCS-UHFFFAOYSA-N 2 0 244.383 0.625 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000040430935 343402478 /nfs/dbraw/zinc/40/24/78/343402478.db2.gz XFYBZUXCROCCGL-CMPLNLGQSA-N 2 0 235.331 0.753 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C[NH3+])c1ccccc1 ZINC000040432177 343403083 /nfs/dbraw/zinc/40/30/83/343403083.db2.gz ZDTNJRIXLGKVPC-NSHDSACASA-N 2 0 221.304 0.364 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000040624525 343407933 /nfs/dbraw/zinc/40/79/33/343407933.db2.gz SVKFRZZPTLHQFQ-NSHDSACASA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)CN(C)CCOC ZINC000310292747 343419408 /nfs/dbraw/zinc/41/94/08/343419408.db2.gz RVPOAMMJNNKJNS-AVGNSLFASA-N 2 0 246.395 0.950 20 0 BCADRP Cn1cc(C[N@H+](C)CC2CC[NH2+]CC2)cn1 ZINC000042489389 343440107 /nfs/dbraw/zinc/44/01/07/343440107.db2.gz UCOQUFXIESLYMO-UHFFFAOYSA-N 2 0 222.336 0.852 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418704311 192063096 /nfs/dbraw/zinc/06/30/96/192063096.db2.gz RISYXFJWGYMMDV-OUAUKWLOSA-N 2 0 242.367 0.506 20 0 BCADRP C[NH+]1CCC(CCNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000157230805 133482737 /nfs/dbraw/zinc/48/27/37/133482737.db2.gz KWAKEDYGDXELQE-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000349189142 136331144 /nfs/dbraw/zinc/33/11/44/136331144.db2.gz FEWZOYQLRVOSCX-OLZOCXBDSA-N 2 0 243.395 0.494 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]CC1)N[C@H]1CCC[NH2+]C1 ZINC000335700562 136333866 /nfs/dbraw/zinc/33/38/66/136333866.db2.gz ZYFFHLGFTGKACE-RYUDHWBXSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1coc(C[NH3+])c1 ZINC000335716415 136339481 /nfs/dbraw/zinc/33/94/81/136339481.db2.gz QJJXGURXLSDRRI-KCJUWKMLSA-N 2 0 237.303 0.466 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000335718449 136340474 /nfs/dbraw/zinc/34/04/74/136340474.db2.gz JTWXPUXKMXZDHF-RYUDHWBXSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC1(C)CC[NH2+]CC1 ZINC000576988668 365745546 /nfs/dbraw/zinc/74/55/46/365745546.db2.gz AZGNELWHIXBGOW-ZJUUUORDSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H](CO)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000251078806 136373687 /nfs/dbraw/zinc/37/36/87/136373687.db2.gz HABDTNKAVPPOEF-GARJFASQSA-N 2 0 200.326 0.722 20 0 BCADRP C[C@@H](CNC(=O)C1([NH+](C)C)CC1)[NH+](C)C ZINC000616486745 343471405 /nfs/dbraw/zinc/47/14/05/343471405.db2.gz DVQKENACVKLABQ-VIFPVBQESA-N 2 0 213.325 0.147 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH2+]C ZINC000308999461 346946010 /nfs/dbraw/zinc/94/60/10/346946010.db2.gz NONAHNWUYNYSJP-RKDXNWHRSA-N 2 0 201.314 0.228 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH2+]C ZINC000308999458 346946130 /nfs/dbraw/zinc/94/61/30/346946130.db2.gz NONAHNWUYNYSJP-DTWKUNHWSA-N 2 0 201.314 0.228 20 0 BCADRP C[N@H+](CCOCC[NH3+])CCc1nccs1 ZINC000580552062 365758818 /nfs/dbraw/zinc/75/88/18/365758818.db2.gz NBXZTSCLWVDVHR-UHFFFAOYSA-N 2 0 229.349 0.593 20 0 BCADRP CC[C@@H]1CO[C@H](C)CN1C[C@@H](O)C[N@H+](C)CC ZINC000310564996 343537912 /nfs/dbraw/zinc/53/79/12/343537912.db2.gz XCYLXCRGNZBMOJ-UPJWGTAASA-N 2 0 244.379 0.798 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000580560673 365764931 /nfs/dbraw/zinc/76/49/31/365764931.db2.gz RTCKIRRXNWXCLE-USZNOCQGSA-N 2 0 237.347 0.052 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)CC1C[NH+](C)C1 ZINC000618192932 343589465 /nfs/dbraw/zinc/58/94/65/343589465.db2.gz CMNYMCFFPITRJL-UHFFFAOYSA-N 2 0 227.352 0.348 20 0 BCADRP Cn1ccnc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000086404164 343618828 /nfs/dbraw/zinc/61/88/28/343618828.db2.gz KDKDMLXJPYVIHF-ZJUUUORDSA-N 2 0 208.309 0.780 20 0 BCADRP C[NH2+]CCCN1CC[NH2+]C[C@H]1C(F)F ZINC000379970338 365784886 /nfs/dbraw/zinc/78/48/86/365784886.db2.gz AYJFWNQNJZAECC-QMMMGPOBSA-N 2 0 207.268 0.135 20 0 BCADRP C[C@H](C(=O)N(C)[C@@H](C[NH3+])C1CC1)C1C[NH2+]C1 ZINC000577061530 365797533 /nfs/dbraw/zinc/79/75/33/365797533.db2.gz UNYIEDWHALQUOR-KWQFWETISA-N 2 0 225.336 0.038 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC1([NH3+])CCC1 ZINC000584111440 343696091 /nfs/dbraw/zinc/69/60/91/343696091.db2.gz DPJCHBUDUAMSNE-IUCAKERBSA-N 2 0 228.340 0.293 20 0 BCADRP C[C@@H](NC(=O)CC[C@H](C)[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000584112628 343697527 /nfs/dbraw/zinc/69/75/27/343697527.db2.gz ZLKIKIFVYWOVSD-HBNTYKKESA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)NC(C)(C)C[NH+](C)C ZINC000418716918 192064082 /nfs/dbraw/zinc/06/40/82/192064082.db2.gz ZAMJVBCVOXRZEW-JTQLQIEISA-N 2 0 244.383 0.753 20 0 BCADRP CCCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])[C@@H]1CC[NH2+]C1 ZINC000418716972 192064199 /nfs/dbraw/zinc/06/41/99/192064199.db2.gz ZZJMJSOGJBZXMD-GMTAPVOTSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000261563375 349850650 /nfs/dbraw/zinc/85/06/50/349850650.db2.gz BUSXAUUSPSUJSC-BBBLOLIVSA-N 2 0 213.325 0.275 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000154664325 343743237 /nfs/dbraw/zinc/74/32/37/343743237.db2.gz IGFIVHYUHJRTMK-RYUDHWBXSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H](CO)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222658514 343710144 /nfs/dbraw/zinc/71/01/44/343710144.db2.gz CDZUWLFFGWQXFW-DCAQKATOSA-N 2 0 200.326 0.687 20 0 BCADRP CCCN(C(=O)NC[C@@H]([NH3+])CC)[C@H]1CC[NH2+]C1 ZINC000418718590 192064637 /nfs/dbraw/zinc/06/46/37/192064637.db2.gz HSEYJYBCBSZUMA-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP CCC[NH2+]CCNC(=O)CC[NH2+]C(C)C ZINC000154449211 343715660 /nfs/dbraw/zinc/71/56/60/343715660.db2.gz PSYDWZXZNVLBCE-UHFFFAOYSA-N 2 0 215.341 0.490 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]([NH3+])CCSC ZINC000154538988 343716369 /nfs/dbraw/zinc/71/63/69/343716369.db2.gz IYAJXIFRKCDNHQ-SECBINFHSA-N 2 0 233.381 0.183 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000418733000 192064830 /nfs/dbraw/zinc/06/48/30/192064830.db2.gz UZHFOIAZHWQZDB-UWVGGRQHSA-N 2 0 242.367 0.458 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000418726970 192064883 /nfs/dbraw/zinc/06/48/83/192064883.db2.gz LYEIPOCWMIFTQT-NSHDSACASA-N 2 0 244.383 0.705 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)CC[C@H]1[NH3+] ZINC000576225356 343724884 /nfs/dbraw/zinc/72/48/84/343724884.db2.gz FRCUJEHRQFMVCU-RTXFEEFZSA-N 2 0 247.342 0.882 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000584231221 343776426 /nfs/dbraw/zinc/77/64/26/343776426.db2.gz HRJUWVHWFFBNCA-DNRKLUKYSA-N 2 0 227.352 0.413 20 0 BCADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C[NH2+]CC1CC1)C2 ZINC000621684897 343746459 /nfs/dbraw/zinc/74/64/59/343746459.db2.gz VHJMDCZZLHLDNB-WCQYABFASA-N 2 0 237.347 0.326 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000187878447 259370334 /nfs/dbraw/zinc/37/03/34/259370334.db2.gz KCVJEVZXPYOACM-QWRGUYRKSA-N 2 0 232.393 0.594 20 0 BCADRP C[NH+](C)CCNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418728986 192065334 /nfs/dbraw/zinc/06/53/34/192065334.db2.gz RJCLDUNUHTUXIP-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP [NH3+][C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000577059940 365797833 /nfs/dbraw/zinc/79/78/33/365797833.db2.gz DBKZXGPBVIVYTR-WOPDTQHZSA-N 2 0 237.347 0.467 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]C1)NCC[C@H]1CCC[NH2+]1 ZINC000584122831 343762609 /nfs/dbraw/zinc/76/26/09/343762609.db2.gz DBKXGODBRAVQEK-VXGBXAGGSA-N 2 0 239.363 0.634 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179052134 346971653 /nfs/dbraw/zinc/97/16/53/346971653.db2.gz CCNIEOYGIMPMEO-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C(C)(C)[NH3+] ZINC000309156067 346972707 /nfs/dbraw/zinc/97/27/07/346972707.db2.gz XKQUXUZGQHETDQ-UHFFFAOYSA-N 2 0 201.314 0.167 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000577061585 365798834 /nfs/dbraw/zinc/79/88/34/365798834.db2.gz XXGXTGDQLRXMKR-RQJHMYQMSA-N 2 0 223.267 0.213 20 0 BCADRP CCSCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000126248683 343835794 /nfs/dbraw/zinc/83/57/94/343835794.db2.gz YCYZRTSYPZYEHX-UWVGGRQHSA-N 2 0 200.351 0.891 20 0 BCADRP COCCN(C)C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000066483546 349876977 /nfs/dbraw/zinc/87/69/77/349876977.db2.gz ZGIQUDIPZSJCMB-CYBMUJFWSA-N 2 0 244.379 0.657 20 0 BCADRP C[NH+](C)CCNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418768460 192067188 /nfs/dbraw/zinc/06/71/88/192067188.db2.gz MFDGAKNULTYBGU-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP C[N@H+](CCNC(=O)C[NH3+])C1CCCCC1 ZINC000165007122 529912999 /nfs/dbraw/zinc/91/29/99/529912999.db2.gz CAJZUAMYLYVIHH-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C2([NH3+])CCC2)CC[NH2+]1 ZINC000564450586 343938740 /nfs/dbraw/zinc/93/87/40/343938740.db2.gz WDLMBCSYKVVVPE-IUCAKERBSA-N 2 0 211.309 0.125 20 0 BCADRP CCC[C@H](CCO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000634724046 343920703 /nfs/dbraw/zinc/92/07/03/343920703.db2.gz ITWNWEHSDIKFLJ-CHWSQXEVSA-N 2 0 244.379 0.584 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCOC[C@H]1C ZINC000381063515 343924912 /nfs/dbraw/zinc/92/49/12/343924912.db2.gz LWBHNMZSBUWMEY-UTUOFQBUSA-N 2 0 230.352 0.314 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000577219756 343931301 /nfs/dbraw/zinc/93/13/01/343931301.db2.gz AACIQJDUDOAMPB-SECBINFHSA-N 2 0 227.352 0.476 20 0 BCADRP c1c(C2CC[NH2+]CC2)nnn1CC1CC[NH2+]CC1 ZINC000641232641 362284777 /nfs/dbraw/zinc/28/47/77/362284777.db2.gz HGGWAFORJVXHBL-UHFFFAOYSA-N 2 0 249.362 0.745 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]([NH3+])CC(F)F ZINC000570684001 323067046 /nfs/dbraw/zinc/06/70/46/323067046.db2.gz UUQJVPNMKGOIBK-ZETCQYMHSA-N 2 0 237.294 0.603 20 0 BCADRP [NH3+]C/C=C\CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000641285245 362346100 /nfs/dbraw/zinc/34/61/00/362346100.db2.gz GLPSIQIUGCERAQ-BYCRGOAPSA-N 2 0 240.351 0.318 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)NC[C@H]1CCC[NH2+]C1 ZINC000130140831 344118115 /nfs/dbraw/zinc/11/81/15/344118115.db2.gz UIXSUBZXCHVIPH-WDEREUQCSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634744276 344165156 /nfs/dbraw/zinc/16/51/56/344165156.db2.gz SYLVGGHEQROKAD-JLLWLGSASA-N 2 0 225.336 0.039 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[NH2+]C[C@@H]1C ZINC000126235228 344172265 /nfs/dbraw/zinc/17/22/65/344172265.db2.gz MVYPHJQTRRRUCS-JTQLQIEISA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H](O)C[NH+](C)CCCC[N@@H+](C)C[C@@H](C)O ZINC000156308184 344128668 /nfs/dbraw/zinc/12/86/68/344128668.db2.gz COYLCAQQGHSRDZ-VXGBXAGGSA-N 2 0 232.368 0.392 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000130409691 344137273 /nfs/dbraw/zinc/13/72/73/344137273.db2.gz RUWMINDQTYSSCP-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000130554785 344148105 /nfs/dbraw/zinc/14/81/05/344148105.db2.gz BOBZJKLQDLNNEF-QJPTWQEYSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000130604195 344150556 /nfs/dbraw/zinc/15/05/56/344150556.db2.gz MFJJBKSXMMPTFK-ATZCPNFKSA-N 2 0 225.336 0.465 20 0 BCADRP C[NH2+]CC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634753627 344207719 /nfs/dbraw/zinc/20/77/19/344207719.db2.gz KJAAJKLFTHPQMZ-VIFPVBQESA-N 2 0 213.325 0.100 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000131097130 344239040 /nfs/dbraw/zinc/23/90/40/344239040.db2.gz SQRXTQOQOHDIOD-LBPRGKRZSA-N 2 0 249.314 0.462 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000129085089 344209797 /nfs/dbraw/zinc/20/97/97/344209797.db2.gz YQELTNROUAZZPB-OPRDCNLKSA-N 2 0 213.325 0.310 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000131919510 344239052 /nfs/dbraw/zinc/23/90/52/344239052.db2.gz YATUSJQNFLMSAM-UWVGGRQHSA-N 2 0 213.325 0.086 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CCSC ZINC000234719510 344224312 /nfs/dbraw/zinc/22/43/12/344224312.db2.gz QUJJIUNUKJHWER-SECBINFHSA-N 2 0 206.355 0.693 20 0 BCADRP C[NH+](C)CC(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000616572208 344182515 /nfs/dbraw/zinc/18/25/15/344182515.db2.gz PWWBEGXEHSFQAZ-UHFFFAOYSA-N 2 0 241.379 0.772 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000131867387 344237603 /nfs/dbraw/zinc/23/76/03/344237603.db2.gz VIRQEYHEBSIUAZ-ZJUUUORDSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634749718 344192984 /nfs/dbraw/zinc/19/29/84/344192984.db2.gz CMONEXFCCACWER-WCFLWFBJSA-N 2 0 239.363 0.300 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634753104 344204919 /nfs/dbraw/zinc/20/49/19/344204919.db2.gz YFGGCNYNKQNKPT-SNVBAGLBSA-N 2 0 241.379 0.866 20 0 BCADRP O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000634768333 344280523 /nfs/dbraw/zinc/28/05/23/344280523.db2.gz FJRZWGRJORVWMX-XWUBHJNHSA-N 2 0 249.358 0.244 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768791 344280815 /nfs/dbraw/zinc/28/08/15/344280815.db2.gz YVLPMXBFQQTJGW-WGBDABJCSA-N 2 0 237.347 0.243 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634770021 344284099 /nfs/dbraw/zinc/28/40/99/344284099.db2.gz WRUSRRBLZCZZMF-FOGDFJRCSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CCC[NH3+])CC[N@@H+]1C ZINC000132972560 344310436 /nfs/dbraw/zinc/31/04/36/344310436.db2.gz AITRGLNQLWBZBM-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP CC[NH2+]Cc1cccc(NC(=O)C[NH3+])c1 ZINC000131640607 344319191 /nfs/dbraw/zinc/31/91/91/344319191.db2.gz VAKLNDARQSIGBF-UHFFFAOYSA-N 2 0 207.277 0.693 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000570802152 323070791 /nfs/dbraw/zinc/07/07/91/323070791.db2.gz MJODGTGKLGXWGO-CMPLNLGQSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H](C(=O)N1CCCCC1)N1CCC[NH2+]CC1 ZINC000034939725 344326772 /nfs/dbraw/zinc/32/67/72/344326772.db2.gz KQIUBUOJEYWWIF-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000131876338 344356510 /nfs/dbraw/zinc/35/65/10/344356510.db2.gz ZJZYCCWDGZRLJC-GFCCVEGCSA-N 2 0 227.352 0.618 20 0 BCADRP COC(=O)CCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000600706306 344360360 /nfs/dbraw/zinc/36/03/60/344360360.db2.gz UEZKHXYKBLCNQS-QWRGUYRKSA-N 2 0 228.336 0.999 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000584286232 344420302 /nfs/dbraw/zinc/42/03/02/344420302.db2.gz VYZNZUJUPOUNJT-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@H]1CCCN(c2cc(-n3ccnc3)ncn2)C1 ZINC000634807345 344392206 /nfs/dbraw/zinc/39/22/06/344392206.db2.gz IGXRXFQGTIUQEN-JTQLQIEISA-N 2 0 244.302 0.590 20 0 BCADRP CC(C)C[C@@H](CNC(=O)CC[NH3+])[NH+](C)C ZINC000040831261 344393872 /nfs/dbraw/zinc/39/38/72/344393872.db2.gz UYNDSYGJDPOVRD-JTQLQIEISA-N 2 0 215.341 0.428 20 0 BCADRP c1cn(-c2cc(N[C@H]3CC[NH2+]C3)ncn2)cn1 ZINC000634809263 344394231 /nfs/dbraw/zinc/39/42/31/344394231.db2.gz NMJGVDRFCYNBTN-VIFPVBQESA-N 2 0 230.275 0.436 20 0 BCADRP CN(c1ncnc2c1OCCN2)[C@H](C[NH3+])C1CC1 ZINC000634811668 344396491 /nfs/dbraw/zinc/39/64/91/344396491.db2.gz MVUSWBNAWREREW-SECBINFHSA-N 2 0 249.318 0.454 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000600947418 344400816 /nfs/dbraw/zinc/40/08/16/344400816.db2.gz SVACIBAQXWMPHK-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP CC[NH+]1CCC(CCNC(=O)C2([NH3+])CC2)CC1 ZINC000236850724 344409680 /nfs/dbraw/zinc/40/96/80/344409680.db2.gz HLGYMKZBAWPFHA-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000381460146 344509426 /nfs/dbraw/zinc/50/94/26/344509426.db2.gz KTOCGPZEHXOOQX-PSASIEDQSA-N 2 0 213.325 0.310 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)[NH3+] ZINC000041680096 344439842 /nfs/dbraw/zinc/43/98/42/344439842.db2.gz ULNXCUDPGFQXMN-IUCAKERBSA-N 2 0 201.314 0.180 20 0 BCADRP Cc1c[nH]c(CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)n1 ZINC000628291867 347051961 /nfs/dbraw/zinc/05/19/61/347051961.db2.gz YDELSNOARHYGCG-MNOVXSKESA-N 2 0 220.320 0.854 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000381438248 344506793 /nfs/dbraw/zinc/50/67/93/344506793.db2.gz YLVDGLCOKOLYMB-JTQLQIEISA-N 2 0 213.325 0.313 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000381035274 344471859 /nfs/dbraw/zinc/47/18/59/344471859.db2.gz CNSYHEBXSOTQKM-PSASIEDQSA-N 2 0 207.277 0.150 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000159001543 344483592 /nfs/dbraw/zinc/48/35/92/344483592.db2.gz UCWNAOSNBHTRHZ-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000037267561 344496851 /nfs/dbraw/zinc/49/68/51/344496851.db2.gz DZSSZMPNOYRHAA-CYBMUJFWSA-N 2 0 247.342 0.897 20 0 BCADRP C[NH2+]CCCC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000381513735 344515347 /nfs/dbraw/zinc/51/53/47/344515347.db2.gz YYEPVKOTIANIEP-SNVBAGLBSA-N 2 0 213.325 0.102 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](C)[NH3+])C1 ZINC000641413891 362404318 /nfs/dbraw/zinc/40/43/18/362404318.db2.gz RGELIHCOVWGYMT-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000641413791 362404435 /nfs/dbraw/zinc/40/44/35/362404435.db2.gz PJTKPSJTFQZHQU-SNVBAGLBSA-N 2 0 240.351 0.213 20 0 BCADRP [NH3+]C1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000382004752 347053751 /nfs/dbraw/zinc/05/37/51/347053751.db2.gz KQWWNQDAPZDNLY-ZYHUDNBSSA-N 2 0 212.337 0.961 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH2+]C ZINC000043599881 344529585 /nfs/dbraw/zinc/52/95/85/344529585.db2.gz SUQHYKPQUBMBPG-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H](C)C[NH3+] ZINC000044794126 344547674 /nfs/dbraw/zinc/54/76/74/344547674.db2.gz RODKBOGGCIKNLJ-SNVBAGLBSA-N 2 0 215.341 0.429 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H](C)C[NH3+] ZINC000044793414 344547786 /nfs/dbraw/zinc/54/77/86/344547786.db2.gz SEMOTXAVBYRBQO-VIFPVBQESA-N 2 0 201.314 0.039 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)NC[C@H](C)[NH3+])CC1 ZINC000641443729 362421830 /nfs/dbraw/zinc/42/18/30/362421830.db2.gz VLFUQOIXUICDJF-JTQLQIEISA-N 2 0 228.340 0.069 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000037824246 344593368 /nfs/dbraw/zinc/59/33/68/344593368.db2.gz ASJNMTPLFJZPMM-QWRGUYRKSA-N 2 0 225.336 0.420 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826163 344593466 /nfs/dbraw/zinc/59/34/66/344593466.db2.gz DPNSYNAYWUKCBK-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP COC(=O)CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152479861 344577237 /nfs/dbraw/zinc/57/72/37/344577237.db2.gz CXLDDGXHCIOEDH-NSHDSACASA-N 2 0 228.336 0.823 20 0 BCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](C)[NH3+])C1 ZINC000641425327 362409518 /nfs/dbraw/zinc/40/95/18/362409518.db2.gz OKTKONGBFHATPN-GHMZBOCLSA-N 2 0 242.367 0.506 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H](C)[NH3+] ZINC000641427470 362412003 /nfs/dbraw/zinc/41/20/03/362412003.db2.gz ZOOHFCWZSYFQJU-UWVGGRQHSA-N 2 0 228.340 0.069 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000237066845 344587718 /nfs/dbraw/zinc/58/77/18/344587718.db2.gz DSTPJKKAPQZGJW-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@@H](C)[NH3+] ZINC000641425951 362412665 /nfs/dbraw/zinc/41/26/65/362412665.db2.gz QZZMPQHUESBCFV-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@H](C)[NH3+] ZINC000641426148 362412727 /nfs/dbraw/zinc/41/27/27/362412727.db2.gz SBRROGFKVGKDIV-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000641479649 362447168 /nfs/dbraw/zinc/44/71/68/362447168.db2.gz WCAJNWDLULWQQQ-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP C[NH2+]CCC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000570927211 323074376 /nfs/dbraw/zinc/07/43/76/323074376.db2.gz UTASNZZKKADWPQ-SNVBAGLBSA-N 2 0 213.325 0.244 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000494542467 530002209 /nfs/dbraw/zinc/00/22/09/530002209.db2.gz ODBQIGUEEJBVEO-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H](C)[NH3+] ZINC000641494231 362460946 /nfs/dbraw/zinc/46/09/46/362460946.db2.gz UGCDLVFWPRHFLA-JTQLQIEISA-N 2 0 230.356 0.315 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000641494683 362461143 /nfs/dbraw/zinc/46/11/43/362461143.db2.gz XJXMVMPUMVTISE-JTQLQIEISA-N 2 0 242.367 0.459 20 0 BCADRP CN(CC[NH3+])CCOCC(F)(F)F ZINC000049310737 344605088 /nfs/dbraw/zinc/60/50/88/344605088.db2.gz XXKPQHHUZCKTOO-UHFFFAOYSA-N 2 0 200.204 0.456 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046460 344697207 /nfs/dbraw/zinc/69/72/07/344697207.db2.gz DJXPHIPNIYKVPY-XQQFMLRXSA-N 2 0 244.379 0.390 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCCC[NH2+]CC ZINC000309456027 347066679 /nfs/dbraw/zinc/06/66/79/347066679.db2.gz NRMBEXNRPDEMBY-LLVKDONJSA-N 2 0 215.341 0.620 20 0 BCADRP C[NH+]1CCC(CC(=O)NCC[NH+]2CCC2)CC1 ZINC000486936546 530048526 /nfs/dbraw/zinc/04/85/26/530048526.db2.gz MCLWPMOZVAMKFP-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C[C@H](C)[NH3+] ZINC000309362204 537865239 /nfs/dbraw/zinc/86/52/39/537865239.db2.gz APWHNTAVOXWLBY-AEJSXWLSSA-N 2 0 213.325 0.452 20 0 BCADRP C[C@@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[C@H](C)[NH3+] ZINC000583379798 344854808 /nfs/dbraw/zinc/85/48/08/344854808.db2.gz QPAGMAVSCORYRC-SCVCMEIPSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000583380313 344855558 /nfs/dbraw/zinc/85/55/58/344855558.db2.gz ZYHOFJSIRWXSDY-IRCOFANPSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@]2(C)CCC[NH2+]2)CC[NH2+]1 ZINC000583382172 344859102 /nfs/dbraw/zinc/85/91/02/344859102.db2.gz LMDHYPLDMSSGQE-SCVCMEIPSA-N 2 0 225.336 0.385 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000578642721 344901726 /nfs/dbraw/zinc/90/17/26/344901726.db2.gz ABRUVFTUMOUSKM-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[NH2+]CC1 ZINC000387575781 344939639 /nfs/dbraw/zinc/93/96/39/344939639.db2.gz OHUHXEOJTXTTKP-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH+](C)C[C@@H]1CC[N@H+](CC2(O)CCOCC2)C1 ZINC000153900809 344998463 /nfs/dbraw/zinc/99/84/63/344998463.db2.gz KBEBHGXFKRDLLB-LBPRGKRZSA-N 2 0 242.363 0.411 20 0 BCADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000155238795 345074730 /nfs/dbraw/zinc/07/47/30/345074730.db2.gz SIOBJLVQWVLNMG-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1CC12CC(C1)C[NH2+]2 ZINC000634990895 345173227 /nfs/dbraw/zinc/17/32/27/345173227.db2.gz HLKMMRJZHHIYCI-CQLXCSJHSA-N 2 0 223.364 0.940 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1CC12CC(C1)C[NH2+]2 ZINC000634990898 345174086 /nfs/dbraw/zinc/17/40/86/345174086.db2.gz HLKMMRJZHHIYCI-QCXCNERSSA-N 2 0 223.364 0.940 20 0 BCADRP CN(CC12CC(C1)C[NH2+]2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000634990979 345174116 /nfs/dbraw/zinc/17/41/16/345174116.db2.gz KGBHTSHOZXSDCC-HPCMXSDISA-N 2 0 235.375 0.953 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1CC12CC(C1)C[NH2+]2 ZINC000634991481 345177676 /nfs/dbraw/zinc/17/76/76/345177676.db2.gz GHVGMNLPEGNZJA-QKEWWQLBSA-N 2 0 209.337 0.408 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000634991896 345178915 /nfs/dbraw/zinc/17/89/15/345178915.db2.gz VRHBXWGRQHSTFT-SDDRHHMPSA-N 2 0 213.369 0.886 20 0 BCADRP CC(C)[C@H]([NH3+])CCNCC12CC(C1)C[NH2+]2 ZINC000634996802 345181664 /nfs/dbraw/zinc/18/16/64/345181664.db2.gz VRFUJPNVQJGISA-MOENNCHZSA-N 2 0 211.353 0.701 20 0 BCADRP C(N1CC[C@H]2[NH2+]CC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634994802 345182358 /nfs/dbraw/zinc/18/23/58/345182358.db2.gz NARQSSLCKMEDRS-CMOBGSAGSA-N 2 0 221.348 0.422 20 0 BCADRP [NH3+]C1(CNCC23CC(C2)C[NH2+]3)CCCCC1 ZINC000634994677 345182456 /nfs/dbraw/zinc/18/24/56/345182456.db2.gz KFAHMHPACMDPKM-UHFFFAOYSA-N 2 0 223.364 0.990 20 0 BCADRP COC[C@]1(CNCC2(C[NH3+])CC2)CCC[NH2+]1 ZINC000634995340 345184469 /nfs/dbraw/zinc/18/44/69/345184469.db2.gz BEJRJXYIENROST-GFCCVEGCSA-N 2 0 227.352 0.084 20 0 BCADRP [NH3+]CC[C@H](NCC1(C[NH3+])CC1)C(F)(F)F ZINC000634995314 345184505 /nfs/dbraw/zinc/18/45/05/345184505.db2.gz AKUXMAHGDIWPRO-ZETCQYMHSA-N 2 0 225.258 0.595 20 0 BCADRP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000634995478 345185117 /nfs/dbraw/zinc/18/51/17/345185117.db2.gz GGZGGJMGDPQNNK-VXGBXAGGSA-N 3 0 225.380 0.949 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN[C@H]1CC[NH2+][C@H](C)C1 ZINC000634995747 345185170 /nfs/dbraw/zinc/18/51/70/345185170.db2.gz NRJJWCLRTCHLGZ-WOPDTQHZSA-N 2 0 213.369 0.947 20 0 BCADRP CC(C)[C@H](C[NH3+])CNC[C@H]1C[NH2+]CCCO1 ZINC000634995899 345185782 /nfs/dbraw/zinc/18/57/82/345185782.db2.gz SDSDNZQHODGUQS-VXGBXAGGSA-N 2 0 229.368 0.185 20 0 BCADRP C(N[C@@H]1CCCC[NH2+]C1)C12CC(C1)C[NH2+]2 ZINC000634996009 345186166 /nfs/dbraw/zinc/18/61/66/345186166.db2.gz WHIAHNCLZLCRHT-MOENNCHZSA-N 2 0 209.337 0.470 20 0 BCADRP [NH3+]CC1(C[NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000634996113 345186988 /nfs/dbraw/zinc/18/69/88/345186988.db2.gz ZORPTKVMOWTILO-LLVKDONJSA-N 3 0 211.353 0.847 20 0 BCADRP c1cc(C[NH2+]CCCC[NH+]2CCOCC2)no1 ZINC000634952700 345129098 /nfs/dbraw/zinc/12/90/98/345129098.db2.gz GOPQTZQEKACUJT-UHFFFAOYSA-N 2 0 239.319 0.877 20 0 BCADRP CC(C)N(C)CC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634958472 345132547 /nfs/dbraw/zinc/13/25/47/345132547.db2.gz RBVWFLDBYXGVNB-LLVKDONJSA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+]C1(CNCC23CC(C2)C[NH2+]3)CCCC1 ZINC000634996368 345187417 /nfs/dbraw/zinc/18/74/17/345187417.db2.gz IBHYLHARVGOCAK-UHFFFAOYSA-N 2 0 209.337 0.600 20 0 BCADRP CC(C)[C@H](C[NH3+])C[NH2+]CCC1(C[NH3+])CC1 ZINC000634996299 345187499 /nfs/dbraw/zinc/18/74/99/345187499.db2.gz GAMBBVFKTJDKMU-LLVKDONJSA-N 3 0 213.369 0.936 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158773857 345151500 /nfs/dbraw/zinc/15/15/00/345151500.db2.gz CBHYOLFSAZXEED-GFCCVEGCSA-N 2 0 225.336 0.183 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CC[C@](C)(C[NH3+])C1 ZINC000634993623 345191196 /nfs/dbraw/zinc/19/11/96/345191196.db2.gz ACCDODDUUNSYHZ-VXGBXAGGSA-N 3 0 213.369 0.888 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000245424756 345226543 /nfs/dbraw/zinc/22/65/43/345226543.db2.gz KGMQEKAFIZDBLW-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@@H]1C[N@H+](CCC(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000147459438 537891453 /nfs/dbraw/zinc/89/14/53/537891453.db2.gz KBVOTZRKVWBDBI-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP CC[NH+](CC)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635058962 345232827 /nfs/dbraw/zinc/23/28/27/345232827.db2.gz QUMBFZSARBJLPA-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@H](C(=O)NCC(C)(C)[NH+](C)C)[NH+](C)C ZINC000635113096 345249619 /nfs/dbraw/zinc/24/96/19/345249619.db2.gz ZYZANPJLXODORP-SECBINFHSA-N 2 0 215.341 0.393 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635140283 345257308 /nfs/dbraw/zinc/25/73/08/345257308.db2.gz XVOHDDMYSCZUNM-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@H](C[NH3+])C(C)C ZINC000634996974 345193312 /nfs/dbraw/zinc/19/33/12/345193312.db2.gz AHINEHMBRBZNMM-LBPRGKRZSA-N 3 0 231.384 0.385 20 0 BCADRP CC(C)[C@H](C[NH3+])C[N@H+](C)CCOCC[NH3+] ZINC000634997332 345195232 /nfs/dbraw/zinc/19/52/32/345195232.db2.gz JGNZUENQMDUWSY-LLVKDONJSA-N 2 0 217.357 0.124 20 0 BCADRP C[C@H]1CC[C@H](NCC23CC(C2)C[NH2+]3)C[NH2+]1 ZINC000634997328 345195259 /nfs/dbraw/zinc/19/52/59/345195259.db2.gz JAZGQKCXEWBWDW-VOBJUBJWSA-N 2 0 209.337 0.469 20 0 BCADRP [NH3+]CC1(CN2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000634997783 345195525 /nfs/dbraw/zinc/19/55/25/345195525.db2.gz SOEAAZZKBZSCKZ-LLVKDONJSA-N 2 0 211.353 0.929 20 0 BCADRP Cc1nn(C)cc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634998159 345197338 /nfs/dbraw/zinc/19/73/38/345197338.db2.gz BNXMHEJAHPRJBC-GXSJLCMTSA-N 2 0 222.336 0.755 20 0 BCADRP C[C@@H]1C[N@H+](CC2=CCCOC2)C[C@H]1C[NH3+] ZINC000634999333 345199389 /nfs/dbraw/zinc/19/93/89/345199389.db2.gz SMLDDTCRWXXODD-ZYHUDNBSSA-N 2 0 210.321 0.860 20 0 BCADRP C[C@@H]1C[C@@H](CN2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]1 ZINC000635001611 345202269 /nfs/dbraw/zinc/20/22/69/345202269.db2.gz AQJUFRZBJFVUMR-XQHKEYJVSA-N 2 0 223.364 0.811 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CCC([NH2+]CCO)CC1 ZINC000635002397 345204095 /nfs/dbraw/zinc/20/40/95/345204095.db2.gz ORBBSJWRCMWXNV-LBPRGKRZSA-N 2 0 243.395 0.406 20 0 BCADRP COCC(C)(C)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000635002585 345204595 /nfs/dbraw/zinc/20/45/95/345204595.db2.gz VDNNMUUNOVWCQJ-UHFFFAOYSA-N 2 0 244.379 0.705 20 0 BCADRP CC(C)OCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000635012036 345213585 /nfs/dbraw/zinc/21/35/85/345213585.db2.gz IVOGUSGSEZHESL-GRYCIOLGSA-N 2 0 230.352 0.753 20 0 BCADRP C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)C1C[NH2+]C1 ZINC000635012806 345214888 /nfs/dbraw/zinc/21/48/88/345214888.db2.gz VPYVGTPXYFCXAV-CMPLNLGQSA-N 2 0 225.380 0.962 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635131259 345255224 /nfs/dbraw/zinc/25/52/24/345255224.db2.gz OQSGRZSLPHCVDE-LLVKDONJSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000449086106 201805704 /nfs/dbraw/zinc/80/57/04/201805704.db2.gz QNWLAQIOWZJBAO-GMTAPVOTSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000449081018 201805854 /nfs/dbraw/zinc/80/58/54/201805854.db2.gz BATJFGJRKNMVRB-HBNTYKKESA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH+](C)C ZINC000635255022 345288905 /nfs/dbraw/zinc/28/89/05/345288905.db2.gz JIRNSIFNCUOQOW-JTQLQIEISA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000158550494 345347691 /nfs/dbraw/zinc/34/76/91/345347691.db2.gz NHOBNWLZICSKHF-GMTAPVOTSA-N 2 0 225.336 0.337 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179050636 534993789 /nfs/dbraw/zinc/99/37/89/534993789.db2.gz JRCNCWSJMJWWDY-JTQLQIEISA-N 2 0 213.325 0.147 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000635422362 345358621 /nfs/dbraw/zinc/35/86/21/345358621.db2.gz LXQMPFTVTBNKOA-NXEZZACHSA-N 2 0 225.336 0.289 20 0 BCADRP CNC(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158636255 345358967 /nfs/dbraw/zinc/35/89/67/345358967.db2.gz DEUJFZIJLSHDON-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158643949 345359720 /nfs/dbraw/zinc/35/97/20/345359720.db2.gz RHHPFVFQRFJLCN-ZDUSSCGKSA-N 2 0 239.363 0.539 20 0 BCADRP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC000635420751 345360400 /nfs/dbraw/zinc/36/04/00/345360400.db2.gz HUSJSVJLVZPVPH-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158782262 345376479 /nfs/dbraw/zinc/37/64/79/345376479.db2.gz STGFHXBRLSMNMI-CYBMUJFWSA-N 2 0 239.363 0.540 20 0 BCADRP CC(C)COCCN1CCC[NH2+]CC1 ZINC000158939692 345390239 /nfs/dbraw/zinc/39/02/39/345390239.db2.gz HZIQYGHBHWUYNA-UHFFFAOYSA-N 2 0 200.326 0.954 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000158364278 345326855 /nfs/dbraw/zinc/32/68/55/345326855.db2.gz NFQDIYRTZKPSDR-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000449106562 201811193 /nfs/dbraw/zinc/81/11/93/201811193.db2.gz IOQDWFUQXONUJQ-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159055138 345404488 /nfs/dbraw/zinc/40/44/88/345404488.db2.gz HZOVTWVBGAQITJ-WYUUTHIRSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000449112103 201811902 /nfs/dbraw/zinc/81/19/02/201811902.db2.gz BJKNVZULKXBDET-PRHODGIISA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159324031 345424519 /nfs/dbraw/zinc/42/45/19/345424519.db2.gz XSZMFEMIRSMODL-AOOOYVTPSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000262595737 534996176 /nfs/dbraw/zinc/99/61/76/534996176.db2.gz UXTCTTJQLACCDZ-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000381354456 345461492 /nfs/dbraw/zinc/46/14/92/345461492.db2.gz CLGBUYFRONGRME-BDAKNGLRSA-N 2 0 213.325 0.310 20 0 BCADRP Cn1ccnc1N1CC[NH+](CCCF)CC1 ZINC000089926637 345566437 /nfs/dbraw/zinc/56/64/37/345566437.db2.gz CJUUKXBHXFDXBV-UHFFFAOYSA-N 2 0 226.299 0.902 20 0 BCADRP COC[C@H](O)C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000068892053 349931078 /nfs/dbraw/zinc/93/10/78/349931078.db2.gz KFJDNFDPOSHHLI-NWDGAFQWSA-N 2 0 230.352 0.315 20 0 BCADRP FC1(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000563135556 323094522 /nfs/dbraw/zinc/09/45/22/323094522.db2.gz MUDFTZVORSWNFJ-NSHDSACASA-N 2 0 227.327 0.468 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC[C@@]1(C)CC[NH2+]C1 ZINC000563135155 323094665 /nfs/dbraw/zinc/09/46/65/323094665.db2.gz IELLHICJVMKEMB-UTUOFQBUSA-N 2 0 211.353 0.574 20 0 BCADRP CC(C)[C@H](C(=O)N(C)CCC[NH+](C)C)[NH+](C)C ZINC000219799236 345745968 /nfs/dbraw/zinc/74/59/68/345745968.db2.gz YNHDVOHOGGLSSB-GFCCVEGCSA-N 2 0 243.395 0.983 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000635559832 345759485 /nfs/dbraw/zinc/75/94/85/345759485.db2.gz UCJRQWWMEVMMBQ-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)[NH+](CCNC(=O)NCC[NH3+])C(C)C ZINC000143222350 345705881 /nfs/dbraw/zinc/70/58/81/345705881.db2.gz QOXLHDUSMPQSNA-UHFFFAOYSA-N 2 0 230.356 0.363 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000146552292 345713758 /nfs/dbraw/zinc/71/37/58/345713758.db2.gz IHTAALPMXIMOJZ-MNOVXSKESA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]CCN1CCCC[C@H]1CN1CCOCC1 ZINC000149105753 345715419 /nfs/dbraw/zinc/71/54/19/345715419.db2.gz LSQOVDMITMQRIY-LBPRGKRZSA-N 2 0 227.352 0.132 20 0 BCADRP CN(CC[NH+](C)C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635641828 345914996 /nfs/dbraw/zinc/91/49/96/345914996.db2.gz XIMVAXPWXZUIBZ-NSHDSACASA-N 2 0 227.352 0.491 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000563209521 323101957 /nfs/dbraw/zinc/10/19/57/323101957.db2.gz JDRYFADFFKUTHJ-KXNHARMFSA-N 2 0 239.363 0.713 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)C(C)(C)C ZINC000393983663 346018780 /nfs/dbraw/zinc/01/87/80/346018780.db2.gz VFMIMIPPFWPKEC-WDEREUQCSA-N 2 0 232.368 0.296 20 0 BCADRP C[C@@H](C(=O)NCc1ccc2c(c1)C[NH2+]C2)[C@H](C)[NH3+] ZINC000375426974 537937086 /nfs/dbraw/zinc/93/70/86/537937086.db2.gz JTSUUIRGGNFMHE-ZJUUUORDSA-N 2 0 247.342 0.889 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+](C)C)C1 ZINC000635807571 346072621 /nfs/dbraw/zinc/07/26/21/346072621.db2.gz NVZNBNRCAFSEQJ-NWDGAFQWSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H](C(=O)NCC1([NH+](C)C)CCC1)[NH+](C)C ZINC000635835298 346081132 /nfs/dbraw/zinc/08/11/32/346081132.db2.gz UFAKDVHFBPRACY-SNVBAGLBSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H](C(=O)N(C)CCC[NH+]1CCCC1)[NH+](C)C ZINC000635891320 346103582 /nfs/dbraw/zinc/10/35/82/346103582.db2.gz IUKFXCBNJSPPGM-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635929597 346111557 /nfs/dbraw/zinc/11/15/57/346111557.db2.gz WXPUHKKBGIBQQS-JTQLQIEISA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635929179 346111613 /nfs/dbraw/zinc/11/16/13/346111613.db2.gz RPXNQPDDBWLIOC-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC1(C)CC[NH2+]CC1 ZINC000381499657 346163784 /nfs/dbraw/zinc/16/37/84/346163784.db2.gz CCUGNXKWKLBTGP-SECBINFHSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH+](C)CC1(C(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000636034132 346169891 /nfs/dbraw/zinc/16/98/91/346169891.db2.gz HTZAKEREILFKPD-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000636000192 346150586 /nfs/dbraw/zinc/15/05/86/346150586.db2.gz QRDPGIPDIWOBRH-NWDGAFQWSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H](C(=O)NC(C)(C)C[NH+]1CCCC1)[NH+](C)C ZINC000636010617 346152527 /nfs/dbraw/zinc/15/25/27/346152527.db2.gz PKJRCRARPZXDQE-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000636011957 346153227 /nfs/dbraw/zinc/15/32/27/346153227.db2.gz QNDJXWKHEWYULO-VXGBXAGGSA-N 2 0 241.379 0.878 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636013191 346154509 /nfs/dbraw/zinc/15/45/09/346154509.db2.gz UKIYXFQLVYRJOZ-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000570097244 346284904 /nfs/dbraw/zinc/28/49/04/346284904.db2.gz YZIVVBOCDDZKQR-MRVPVSSYSA-N 2 0 207.277 0.109 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000381535805 346288665 /nfs/dbraw/zinc/28/86/65/346288665.db2.gz GRMCIWNDGSEVRG-MWLCHTKSSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000381535806 346288937 /nfs/dbraw/zinc/28/89/37/346288937.db2.gz GRMCIWNDGSEVRG-ONGXEEELSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000636099006 346318731 /nfs/dbraw/zinc/31/87/31/346318731.db2.gz HBJZJKISZAWBNC-SDDRHHMPSA-N 2 0 239.363 0.680 20 0 BCADRP C[NH+](C)CC(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636096361 346318803 /nfs/dbraw/zinc/31/88/03/346318803.db2.gz XCDLTJREZMWYGW-PHIMTYICSA-N 2 0 225.336 0.291 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H](C)[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000636231025 346363076 /nfs/dbraw/zinc/36/30/76/346363076.db2.gz WEPMQHUFZFZYRY-HBNTYKKESA-N 2 0 227.352 0.535 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)CCCC[NH3+] ZINC000069733908 349956343 /nfs/dbraw/zinc/95/63/43/349956343.db2.gz XQWAUIDWLRXUFV-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP C[C@H](C(=O)NC[C@H]1CCCC[N@H+](C)C1)[NH+](C)C ZINC000636272576 346374412 /nfs/dbraw/zinc/37/44/12/346374412.db2.gz OHAAFXJUFMTZKD-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP [NH3+]CCCCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000069734025 349956402 /nfs/dbraw/zinc/95/64/02/349956402.db2.gz HLMFHPHRIWTKHC-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP CC[NH+](CC)CC[C@H](CO)[NH2+]CC1(C)COC1 ZINC000641770651 362713078 /nfs/dbraw/zinc/71/30/78/362713078.db2.gz YMFYMXSVDCTMNY-GFCCVEGCSA-N 2 0 244.379 0.705 20 0 BCADRP C[C@]1(C(=O)NCC2CC[NH2+]CC2)CC[NH2+]C1 ZINC000574911398 346410056 /nfs/dbraw/zinc/41/00/56/346410056.db2.gz RNYCRFXDLYXKPJ-LBPRGKRZSA-N 2 0 225.336 0.102 20 0 BCADRP C[NH2+]CCN(C(=O)C[NH+](C)C)C(C)C ZINC000669379180 537975792 /nfs/dbraw/zinc/97/57/92/537975792.db2.gz WCCXMEPDLUZORG-UHFFFAOYSA-N 2 0 201.314 0.004 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H](C)[NH3+] ZINC000574915512 346412629 /nfs/dbraw/zinc/41/26/29/346412629.db2.gz CQILPHQPWMDOCS-WISYIIOYSA-N 2 0 239.363 0.284 20 0 BCADRP C[NH2+]CCNC(=O)c1ccccc1CC[NH3+] ZINC000574924037 346414637 /nfs/dbraw/zinc/41/46/37/346414637.db2.gz QQTCRPDYYVVFPW-UHFFFAOYSA-N 2 0 221.304 0.137 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000224045375 535044251 /nfs/dbraw/zinc/04/42/51/535044251.db2.gz HHPWQHLPGUFKJT-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000563419081 323123874 /nfs/dbraw/zinc/12/38/74/323123874.db2.gz XZRHLXZVMPBMJE-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP C[C@H]1C[N@H+](CCc2cncn2C)CC[C@H]1[NH3+] ZINC000641795864 362736559 /nfs/dbraw/zinc/73/65/59/362736559.db2.gz APDPFBASMYPSBI-CMPLNLGQSA-N 2 0 222.336 0.632 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000248942644 346462188 /nfs/dbraw/zinc/46/21/88/346462188.db2.gz AAWDSAKXXYMWMI-GRYCIOLGSA-N 2 0 241.379 0.960 20 0 BCADRP CC1([NH3+])CC[NH+](CCc2cn[nH]c2)CC1 ZINC000641800017 362748795 /nfs/dbraw/zinc/74/87/95/362748795.db2.gz VWLVEPPPSCQSGI-UHFFFAOYSA-N 2 0 208.309 0.765 20 0 BCADRP C[C@@H]1C[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC000580075100 346511070 /nfs/dbraw/zinc/51/10/70/346511070.db2.gz ULXXYTLNLAVZOH-XQHKEYJVSA-N 3 0 223.364 0.526 20 0 BCADRP C[C@@H]1CN(CCc2cncn2C)C[C@H]1[NH3+] ZINC000641800549 362752188 /nfs/dbraw/zinc/75/21/88/362752188.db2.gz ZDMFWAJUWBWLMU-MWLCHTKSSA-N 2 0 208.309 0.242 20 0 BCADRP C[C@@H]1CN(CC[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)CCO1 ZINC000641801567 362756298 /nfs/dbraw/zinc/75/62/98/362756298.db2.gz SQUCWGUHBXBUGO-GRYCIOLGSA-N 2 0 241.379 0.423 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000641801722 362756926 /nfs/dbraw/zinc/75/69/26/362756926.db2.gz UBCPUSCYFJOTHC-NEPJUHHUSA-N 2 0 242.363 0.897 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000249753051 346499064 /nfs/dbraw/zinc/49/90/64/346499064.db2.gz RZYGVPRTGOOPLS-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP CN1CCN(C(=O)CCC(C)(C)C)[C@H](C[NH3+])C1 ZINC000162695898 346535020 /nfs/dbraw/zinc/53/50/20/346535020.db2.gz QEWKCOFUANGPSA-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1cncn1C ZINC000641818002 362769404 /nfs/dbraw/zinc/76/94/04/362769404.db2.gz BMONLBGMFNDHLT-MNOVXSKESA-N 2 0 222.336 0.774 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186840067 346539403 /nfs/dbraw/zinc/53/94/03/346539403.db2.gz SPYIKTDHSXWDMQ-UWVGGRQHSA-N 2 0 213.325 0.100 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@](C)(O)CC1 ZINC000380157929 346582611 /nfs/dbraw/zinc/58/26/11/346582611.db2.gz KFYVXZHHJDJQBD-STQMWFEESA-N 2 0 244.379 0.536 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000563589018 323130702 /nfs/dbraw/zinc/13/07/02/323130702.db2.gz YNQJMPZTMXSUSR-UWVGGRQHSA-N 2 0 213.325 0.372 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000580196663 346652625 /nfs/dbraw/zinc/65/26/25/346652625.db2.gz XXPULANKAKUBSR-UHFFFAOYSA-N 2 0 227.352 0.620 20 0 BCADRP C(C[C@H]1CCC[NH2+]C1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000580715336 346663292 /nfs/dbraw/zinc/66/32/92/346663292.db2.gz YFOOLTZGXQSPOZ-CHWSQXEVSA-N 3 0 225.380 0.965 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])C1CCC1 ZINC000580646872 365841668 /nfs/dbraw/zinc/84/16/68/365841668.db2.gz QMKMKTDLNGNBKF-GXSJLCMTSA-N 2 0 227.352 0.748 20 0 BCADRP O=C([C@@H]1CCC[NH2+]1)N1CCC2(CC[NH2+]2)CC1 ZINC000563625670 323132337 /nfs/dbraw/zinc/13/23/37/323132337.db2.gz ZKYNBKFHXPQNDK-JTQLQIEISA-N 2 0 223.320 0.093 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000167476219 346710273 /nfs/dbraw/zinc/71/02/73/346710273.db2.gz LEKYXOVWQBLCON-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C[NH2+]C ZINC000178836132 346718301 /nfs/dbraw/zinc/71/83/01/346718301.db2.gz PEFFDOMVEDILJG-UHFFFAOYSA-N 2 0 201.314 0.054 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCc1nccn1CC(C)C ZINC000580215891 346698048 /nfs/dbraw/zinc/69/80/48/346698048.db2.gz HJWFWWMWKKMFKB-JTQLQIEISA-N 2 0 238.335 0.763 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COCC2CC2)C1 ZINC000580216272 346699756 /nfs/dbraw/zinc/69/97/56/346699756.db2.gz SYLXOASXPDNPBP-FRRDWIJNSA-N 2 0 242.363 0.633 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000300420944 346745232 /nfs/dbraw/zinc/74/52/32/346745232.db2.gz APCDGISACBPSON-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000300421827 346746287 /nfs/dbraw/zinc/74/62/87/346746287.db2.gz PWXCQXJABPDHSB-SRVKXCTJSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+]CC1(CN2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622004034 370652718 /nfs/dbraw/zinc/65/27/18/370652718.db2.gz JFKHMEHWMROVTO-PWSUYJOCSA-N 2 0 209.337 0.539 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCC[NH3+] ZINC000518766808 346792832 /nfs/dbraw/zinc/79/28/32/346792832.db2.gz URQKOGYUTMWHSP-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000251785463 133647140 /nfs/dbraw/zinc/64/71/40/133647140.db2.gz NDOSMRBBDMAYSP-GMTAPVOTSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@@H]1CO ZINC000622004856 370655763 /nfs/dbraw/zinc/65/57/63/370655763.db2.gz VTRAFYPUHCJLTC-DGCLKSJQSA-N 2 0 226.364 0.936 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CCC2(CC[NH2+]2)CC1 ZINC000580327831 347155696 /nfs/dbraw/zinc/15/56/96/347155696.db2.gz FPMGFSIBEHPPEK-UHFFFAOYSA-N 2 0 237.347 0.483 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000309639110 347127437 /nfs/dbraw/zinc/12/74/37/347127437.db2.gz NWVAMYJIPSTXCJ-UWVGGRQHSA-N 2 0 213.325 0.100 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC/C=C/C[NH3+] ZINC000641862733 362790890 /nfs/dbraw/zinc/79/08/90/362790890.db2.gz QIZHUHCEQIYZBG-PGLGOXFNSA-N 2 0 240.351 0.285 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000571298660 323140793 /nfs/dbraw/zinc/14/07/93/323140793.db2.gz XEXMKHRTJCGOGP-QCNOEVLYSA-N 2 0 211.353 0.986 20 0 BCADRP OCC1(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000395845484 362799450 /nfs/dbraw/zinc/79/94/50/362799450.db2.gz IRJCJECEQPGPPH-GFCCVEGCSA-N 2 0 242.363 0.195 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000082280637 347328165 /nfs/dbraw/zinc/32/81/65/347328165.db2.gz UHYHWTDBSRCGQL-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000165602790 133665470 /nfs/dbraw/zinc/66/54/70/133665470.db2.gz WXHYUKAJSTZIJI-NWDGAFQWSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000336134910 136746363 /nfs/dbraw/zinc/74/63/63/136746363.db2.gz LRXJESXJXZKMOK-GXFFZTMASA-N 2 0 247.342 0.873 20 0 BCADRP [NH3+]CCC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000582121188 347391389 /nfs/dbraw/zinc/39/13/89/347391389.db2.gz WGVZEAXYUUSEPS-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000582120891 347391483 /nfs/dbraw/zinc/39/14/83/347391483.db2.gz XGMWBTQYPMJSCX-YFKTTZPYSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)C1(C[NH3+])CCCC1 ZINC000582121614 347392099 /nfs/dbraw/zinc/39/20/99/347392099.db2.gz XKVJMBROJFTUSH-JTQLQIEISA-N 2 0 227.352 0.749 20 0 BCADRP CC(C)CNC(=O)[C@H](C)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252772573 347429036 /nfs/dbraw/zinc/42/90/36/347429036.db2.gz MDNSLVJPPBPXBT-SRVKXCTJSA-N 2 0 241.379 0.816 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000054076651 347435860 /nfs/dbraw/zinc/43/58/60/347435860.db2.gz IBHYTXWPKVCYTA-IUCAKERBSA-N 2 0 201.314 0.051 20 0 BCADRP CN1CCC[C@@H]([NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000396753675 362832403 /nfs/dbraw/zinc/83/24/03/362832403.db2.gz YGVVIFDEGWYCJB-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP CC[N@H+](CC(=O)N(C)Cc1c[nH]cn1)C1CC1 ZINC000616926424 347458694 /nfs/dbraw/zinc/45/86/94/347458694.db2.gz BNDNUFIYFQKJOV-UHFFFAOYSA-N 2 0 236.319 0.852 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC(C)(C)CCC[NH3+] ZINC000382166842 347479004 /nfs/dbraw/zinc/47/90/04/347479004.db2.gz VDCSDKYOANXLLZ-SECBINFHSA-N 2 0 215.341 0.476 20 0 BCADRP CN1CCC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1=O ZINC000572856070 323149256 /nfs/dbraw/zinc/14/92/56/323149256.db2.gz WPWLXGMPIQJMSR-VWYCJHECSA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000577219963 365888347 /nfs/dbraw/zinc/88/83/47/365888347.db2.gz RSMYUWJQDJNKMN-WDEREUQCSA-N 2 0 239.363 0.476 20 0 BCADRP C[C@@H]1CC[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000149778107 347512723 /nfs/dbraw/zinc/51/27/23/347512723.db2.gz JXMXGRKMZQDVEH-WYUUTHIRSA-N 2 0 210.321 0.705 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000382986596 347522485 /nfs/dbraw/zinc/52/24/85/347522485.db2.gz WFLYNCHHMOVFBY-ZYHUDNBSSA-N 2 0 239.363 0.680 20 0 BCADRP [NH3+]CCOCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357102956 187377558 /nfs/dbraw/zinc/37/75/58/187377558.db2.gz JMHCZOSMAREZSX-CYBMUJFWSA-N 3 0 241.379 0.283 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000357796938 187378093 /nfs/dbraw/zinc/37/80/93/187378093.db2.gz QEXBOFUWRCLQER-PWSUYJOCSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000082474651 347615392 /nfs/dbraw/zinc/61/53/92/347615392.db2.gz YLHNKAKRHMATGC-SNVBAGLBSA-N 2 0 222.336 0.979 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccnn2C)CC1 ZINC000082474729 347615647 /nfs/dbraw/zinc/61/56/47/347615647.db2.gz QVSDJUPPQYNVDI-SNVBAGLBSA-N 2 0 222.336 0.979 20 0 BCADRP Cc1ccccc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000042436003 179270140 /nfs/dbraw/zinc/27/01/40/179270140.db2.gz IONBPNCNTYFPSQ-GFCCVEGCSA-N 2 0 208.305 0.746 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000571653500 323151200 /nfs/dbraw/zinc/15/12/00/323151200.db2.gz SMSOIYZMAKFGPP-GUBZILKMSA-N 2 0 225.336 0.465 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000591096148 347618485 /nfs/dbraw/zinc/61/84/85/347618485.db2.gz SZMUSLUYODZSGC-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591096147 347618738 /nfs/dbraw/zinc/61/87/38/347618738.db2.gz SZMUSLUYODZSGC-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000591430095 347655251 /nfs/dbraw/zinc/65/52/51/347655251.db2.gz XTCXSEATEJXJQT-ZJUUUORDSA-N 2 0 213.325 0.004 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000343469505 133685942 /nfs/dbraw/zinc/68/59/42/133685942.db2.gz XUICQUKRXVLETN-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC1CCC(C[NH3+])CC1 ZINC000343602268 133694772 /nfs/dbraw/zinc/69/47/72/133694772.db2.gz QQPPSUMSNSFOIO-VOMCLLRMSA-N 2 0 241.379 0.995 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000577281219 365915771 /nfs/dbraw/zinc/91/57/71/365915771.db2.gz UOTHATPFDYZSJE-NRUUGDAUSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@@](C)(C[NH3+])C2CC2)CC[NH2+]1 ZINC000577281299 365915835 /nfs/dbraw/zinc/91/58/35/365915835.db2.gz ZVKIRYSTGUFENQ-KWBADKCTSA-N 2 0 239.363 0.618 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000592831346 347827438 /nfs/dbraw/zinc/82/74/38/347827438.db2.gz BUBTVJJKTOSPHV-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CCOC(=O)CC[NH+]1CCC(C)([NH3+])CC1 ZINC000592484866 347786323 /nfs/dbraw/zinc/78/63/23/347786323.db2.gz GIMKBMKWNOKJFU-UHFFFAOYSA-N 2 0 214.309 0.753 20 0 BCADRP CCn1ccnc1/C=C/C(=O)N[C@@H](C)CC[NH3+] ZINC000493400137 347791404 /nfs/dbraw/zinc/79/14/04/347791404.db2.gz IVXVEFCUCUTRAS-YEZKRMTDSA-N 2 0 236.319 0.770 20 0 BCADRP [NH3+]CCCCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000070202240 349976968 /nfs/dbraw/zinc/97/69/68/349976968.db2.gz ZVOZISDELBCLGC-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000577367536 365934955 /nfs/dbraw/zinc/93/49/55/365934955.db2.gz SJZKGAGQTIQTKO-INTQDDNPSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000577392121 365944276 /nfs/dbraw/zinc/94/42/76/365944276.db2.gz OQOPVWAUIDSSIC-JQWIXIFHSA-N 2 0 239.363 0.537 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])CC(F)F ZINC000577396943 365945239 /nfs/dbraw/zinc/94/52/39/365945239.db2.gz UQUXWQPPLJNSCA-CIUDSAMLSA-N 2 0 249.305 0.603 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C1CC[NH+](C)CC1 ZINC000577399538 365945258 /nfs/dbraw/zinc/94/52/58/365945258.db2.gz LQLJSVIEKFNKSK-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000367386179 187383379 /nfs/dbraw/zinc/38/33/79/187383379.db2.gz PVGYDPKCOVBTQN-NQBHXWOUSA-N 2 0 241.379 0.864 20 0 BCADRP CC[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)C(=O)OC ZINC000594555402 348069290 /nfs/dbraw/zinc/06/92/90/348069290.db2.gz DAZJVZOIHFSSPX-AXFHLTTASA-N 2 0 228.336 0.868 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000294906494 179341660 /nfs/dbraw/zinc/34/16/60/179341660.db2.gz ZTFMBWIMZMGFNL-ZDUSSCGKSA-N 2 0 247.342 0.817 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000295027467 179342719 /nfs/dbraw/zinc/34/27/19/179342719.db2.gz NPKKWONJJXRWPM-UHTWSYAYSA-N 2 0 247.342 0.943 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000563716585 323175332 /nfs/dbraw/zinc/17/53/32/323175332.db2.gz YHALTMQKZZGODP-RKDXNWHRSA-N 2 0 249.305 0.617 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000376789441 187388530 /nfs/dbraw/zinc/38/85/30/187388530.db2.gz HZQIXFGPDISOGU-ZYHUDNBSSA-N 2 0 245.342 0.520 20 0 BCADRP CC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082652438 348249647 /nfs/dbraw/zinc/24/96/47/348249647.db2.gz WMOBPNSEFCWNCS-LLVKDONJSA-N 2 0 225.336 0.150 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C[C@H]1CC[NH2+]C1 ZINC000251431894 362875431 /nfs/dbraw/zinc/87/54/31/362875431.db2.gz SGDYBGHUJMGPRA-RYUDHWBXSA-N 2 0 211.353 0.526 20 0 BCADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000336571467 187393056 /nfs/dbraw/zinc/39/30/56/187393056.db2.gz QKCNHFPOBNMWDF-GFCCVEGCSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)[NH+]1CCCC1 ZINC000383341378 348347764 /nfs/dbraw/zinc/34/77/64/348347764.db2.gz KQQPHOGUBWVMKQ-IUCAKERBSA-N 2 0 249.305 0.569 20 0 BCADRP CC(C)[N@H+](C)CCCNC1=[NH+]CCCN1 ZINC000340034635 187394158 /nfs/dbraw/zinc/39/41/58/187394158.db2.gz XGEIXCPOQJISSS-UHFFFAOYSA-N 2 0 212.341 0.656 20 0 BCADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000125099178 187394312 /nfs/dbraw/zinc/39/43/12/187394312.db2.gz ROIWWGMHXKUQEM-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000044799486 187395102 /nfs/dbraw/zinc/39/51/02/187395102.db2.gz MFKRILFOYIMUGW-NSHDSACASA-N 2 0 227.352 0.381 20 0 BCADRP CC(C)([NH3+])CNC(=O)c1c[nH+]ccc1N ZINC000261578872 187396737 /nfs/dbraw/zinc/39/67/37/187396737.db2.gz LYLUDMYBBBJXEM-UHFFFAOYSA-N 2 0 208.265 0.131 20 0 BCADRP COC[C@H](C)[NH2+]CCN1CC[C@H](C)C1 ZINC000053389523 348393690 /nfs/dbraw/zinc/39/36/90/348393690.db2.gz RSXYPMZQFCFUPV-QWRGUYRKSA-N 2 0 200.326 0.953 20 0 BCADRP COC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901215 348394586 /nfs/dbraw/zinc/39/45/86/348394586.db2.gz SEPPFOPCNDFQBH-LBPRGKRZSA-N 2 0 240.347 0.871 20 0 BCADRP [NH3+][C@H]1C[C@@H]2C[N@H+](CC3CC=CC3)CCN2C1=O ZINC000595902599 348395097 /nfs/dbraw/zinc/39/50/97/348395097.db2.gz AMQQPYKSBQYVME-NEPJUHHUSA-N 2 0 235.331 0.196 20 0 BCADRP Cc1ccncc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000280755641 179486390 /nfs/dbraw/zinc/48/63/90/179486390.db2.gz DCJIZDDKESMCDZ-UHFFFAOYSA-N 2 0 249.358 0.936 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000333643050 538007897 /nfs/dbraw/zinc/00/78/97/538007897.db2.gz IPJGTAAKMIFMEB-VWYCJHECSA-N 2 0 240.351 0.130 20 0 BCADRP COC(=O)C1(C[NH2+]Cc2cnc3n2CCC3)CC1 ZINC000597085769 348655934 /nfs/dbraw/zinc/65/59/34/348655934.db2.gz KMVYYGPGYGPPPA-UHFFFAOYSA-N 2 0 249.314 0.872 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449644629 229612996 /nfs/dbraw/zinc/61/29/96/229612996.db2.gz KBTKFLDJRQFRDT-NXEZZACHSA-N 2 0 248.330 0.741 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC[N@H+](C)C(C)C ZINC000054133671 348892627 /nfs/dbraw/zinc/89/26/27/348892627.db2.gz PNIOBGRODJUSRT-UHFFFAOYSA-N 2 0 229.368 0.831 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)c1ccnc(C[NH3+])c1 ZINC000519598762 323203546 /nfs/dbraw/zinc/20/35/46/323203546.db2.gz FFLXPTNIEMWJTD-QMMMGPOBSA-N 2 0 222.292 0.007 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000308892767 349054568 /nfs/dbraw/zinc/05/45/68/349054568.db2.gz YJDNUXXPHFQHNM-BDAKNGLRSA-N 2 0 201.314 0.086 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000248838487 349142134 /nfs/dbraw/zinc/14/21/34/349142134.db2.gz DXYUMDPCPVYYOL-KXUCPTDWSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000309384768 490231167 /nfs/dbraw/zinc/23/11/67/490231167.db2.gz DWXRRDCAAJXCHJ-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000248977845 349158606 /nfs/dbraw/zinc/15/86/06/349158606.db2.gz FCQREVOTLDTKQH-GUBZILKMSA-N 2 0 227.352 0.556 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000252598878 349200707 /nfs/dbraw/zinc/20/07/07/349200707.db2.gz KGDFTQXJXFQISV-TUAOUCFPSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000662965675 490244296 /nfs/dbraw/zinc/24/42/96/490244296.db2.gz SJLCCODATSOMKF-ZWNOBZJWSA-N 2 0 235.331 0.585 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000422538273 192424787 /nfs/dbraw/zinc/42/47/87/192424787.db2.gz IEILVIOVLBFASC-NOOOWODRSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)CCC[NH3+] ZINC000061645080 349375982 /nfs/dbraw/zinc/37/59/82/349375982.db2.gz NKVSUJBVOYLWPW-SNVBAGLBSA-N 2 0 213.325 0.278 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070619288 350029617 /nfs/dbraw/zinc/02/96/17/350029617.db2.gz SCGXBDZRWWGFBE-LLVKDONJSA-N 2 0 213.325 0.196 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCCC[NH2+]C ZINC000309119916 350036872 /nfs/dbraw/zinc/03/68/72/350036872.db2.gz NEFOZAUPGVPKOQ-SNVBAGLBSA-N 2 0 201.314 0.230 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000603906950 350049434 /nfs/dbraw/zinc/04/94/34/350049434.db2.gz CXBNLFOOUBVIHR-NWDGAFQWSA-N 2 0 239.363 0.491 20 0 BCADRP CC[C@@H](C)NC(=O)CN1CCC([NH3+])CC1 ZINC000021958813 350065317 /nfs/dbraw/zinc/06/53/17/350065317.db2.gz PGJOPMKTJRFACW-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP CCCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103210887 323246056 /nfs/dbraw/zinc/24/60/56/323246056.db2.gz IZAQLVUCPHEOLC-UHFFFAOYSA-N 2 0 229.368 0.738 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000345721792 133787535 /nfs/dbraw/zinc/78/75/35/133787535.db2.gz VXCZDABXUOOTBN-FOGDFJRCSA-N 2 0 227.352 0.605 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000345727896 133787630 /nfs/dbraw/zinc/78/76/30/133787630.db2.gz VMWADROSIWFWHX-CMPLNLGQSA-N 2 0 227.352 0.620 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCSC1 ZINC000224611906 490332853 /nfs/dbraw/zinc/33/28/53/490332853.db2.gz TZNPTVYCZJFQMX-LBPRGKRZSA-N 2 0 243.420 0.577 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000422735592 192447735 /nfs/dbraw/zinc/44/77/35/192447735.db2.gz WGNYFCFVXCDUHW-UWVGGRQHSA-N 2 0 215.341 0.332 20 0 BCADRP C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000427279832 191058683 /nfs/dbraw/zinc/05/86/83/191058683.db2.gz GSIOMMVQJGYHCQ-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000363668703 191064230 /nfs/dbraw/zinc/06/42/30/191064230.db2.gz GNEAPEXKLYIUEE-GUBZILKMSA-N 2 0 225.336 0.310 20 0 BCADRP CC(C)([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000363668702 191064379 /nfs/dbraw/zinc/06/43/79/191064379.db2.gz GNEAPEXKLYIUEE-AEJSXWLSSA-N 2 0 225.336 0.310 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000370798437 191067930 /nfs/dbraw/zinc/06/79/30/191067930.db2.gz NVCMBTQMNIVZHF-GXSJLCMTSA-N 2 0 231.315 0.178 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H](C)N1CCOCC1 ZINC000422740081 192449301 /nfs/dbraw/zinc/44/93/01/192449301.db2.gz MGABPHVSKZUNGX-UPJWGTAASA-N 2 0 243.395 0.813 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000428441432 191073102 /nfs/dbraw/zinc/07/31/02/191073102.db2.gz VYKAOQSZUBUYSV-IJLUTSLNSA-N 2 0 239.363 0.680 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000428441434 191073416 /nfs/dbraw/zinc/07/34/16/191073416.db2.gz VYKAOQSZUBUYSV-TUAOUCFPSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NCC[NH3+])C1 ZINC000637106683 350204323 /nfs/dbraw/zinc/20/43/23/350204323.db2.gz AFLKWJDWUIPBDS-JTQLQIEISA-N 2 0 228.340 0.117 20 0 BCADRP [NH3+]C/C=C\CNC(=O)NCC1([NH3+])CCCCC1 ZINC000637117100 350204767 /nfs/dbraw/zinc/20/47/67/350204767.db2.gz CRJCTAYFUNJMLK-PLNGDYQASA-N 2 0 240.351 0.462 20 0 BCADRP [NH3+]C/C=C/CNC(=O)NCC1([NH3+])CCCCC1 ZINC000637117101 350205108 /nfs/dbraw/zinc/20/51/08/350205108.db2.gz CRJCTAYFUNJMLK-SNAWJCMRSA-N 2 0 240.351 0.462 20 0 BCADRP CC(C)[C@@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000318753965 350256970 /nfs/dbraw/zinc/25/69/70/350256970.db2.gz BDPKANJJCTXWAZ-SNVBAGLBSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000427615009 191084618 /nfs/dbraw/zinc/08/46/18/191084618.db2.gz ZCKODAPEEOZPPS-FOGDFJRCSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000427614219 191084938 /nfs/dbraw/zinc/08/49/38/191084938.db2.gz WCHIIUWOJYZIRG-NTZNESFSSA-N 2 0 239.363 0.490 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CN[C@H](C)C1C[NH2+]C1 ZINC000422769021 192461728 /nfs/dbraw/zinc/46/17/28/192461728.db2.gz ZWRAGSZWFABDRJ-ZYHUDNBSSA-N 2 0 211.353 0.668 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[C@H](C)[NH3+])C1 ZINC000422775599 192462594 /nfs/dbraw/zinc/46/25/94/192462594.db2.gz CATOLPOTYORZGJ-QJPTWQEYSA-N 2 0 241.379 0.816 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000606346309 350315603 /nfs/dbraw/zinc/31/56/03/350315603.db2.gz UGAVXTXXKJTSSF-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP c1c([C@@H]2CCCC[NH2+]2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000725263160 538088942 /nfs/dbraw/zinc/08/89/42/538088942.db2.gz RTGLOSSLYGTUJM-QWRGUYRKSA-N 2 0 235.335 0.845 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000309395602 350367252 /nfs/dbraw/zinc/36/72/52/350367252.db2.gz GNVWMHMPTFNPOZ-UTLUCORTSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000050461816 350342823 /nfs/dbraw/zinc/34/28/23/350342823.db2.gz KQDWQYNHOTUVRH-NEPJUHHUSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000309396294 350367650 /nfs/dbraw/zinc/36/76/50/350367650.db2.gz GPWMGWKRTOLLAK-ZJUUUORDSA-N 2 0 213.325 0.087 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000069840047 350415032 /nfs/dbraw/zinc/41/50/32/350415032.db2.gz PVZVFMCWJAFAEE-UWVGGRQHSA-N 2 0 225.336 0.467 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)CC[C@H](C)[NH3+] ZINC000069840099 350417262 /nfs/dbraw/zinc/41/72/62/350417262.db2.gz VBHWHSHVJLRWTL-WDEREUQCSA-N 2 0 229.368 0.960 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000069840252 350418518 /nfs/dbraw/zinc/41/85/18/350418518.db2.gz WIHPKUSUINNUBC-MNOVXSKESA-N 2 0 227.352 0.666 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000309301876 323341683 /nfs/dbraw/zinc/34/16/83/323341683.db2.gz UGACKZJWHLSCOT-UTLUCORTSA-N 2 0 213.325 0.165 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NCC[NH2+]C2CC2)C1 ZINC000637339583 350465840 /nfs/dbraw/zinc/46/58/40/350465840.db2.gz KCDSLMNUHLRGBG-KOLCDFICSA-N 2 0 240.351 0.308 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)NCC[NH2+]C2CC2)[C@H]1C ZINC000637339553 350465892 /nfs/dbraw/zinc/46/58/92/350465892.db2.gz JMKKFIQEVWJAJJ-UWVGGRQHSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000309380098 323349643 /nfs/dbraw/zinc/34/96/43/323349643.db2.gz DEMLMQYXKWDBSG-VHSXEESVSA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000577489307 365966897 /nfs/dbraw/zinc/96/68/97/365966897.db2.gz PWZKPQLNOSNMTJ-WDEREUQCSA-N 2 0 241.379 0.879 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000228005570 350524175 /nfs/dbraw/zinc/52/41/75/350524175.db2.gz TYBYVUQANOMUIO-ZYHUDNBSSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H](C(N)=O)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000061679218 350524945 /nfs/dbraw/zinc/52/49/45/350524945.db2.gz FMWIWHPWVMCJFK-SECBINFHSA-N 2 0 213.325 0.134 20 0 BCADRP COC[C@@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000070589342 350543322 /nfs/dbraw/zinc/54/33/22/350543322.db2.gz DAYNYTNIRYKFGF-LBPRGKRZSA-N 2 0 230.352 0.456 20 0 BCADRP C[NH2+]CC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000070583844 350543688 /nfs/dbraw/zinc/54/36/88/350543688.db2.gz MFBCBQVYRYWLFJ-NSHDSACASA-N 2 0 225.336 0.149 20 0 BCADRP C[NH2+]CC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000070583843 350543891 /nfs/dbraw/zinc/54/38/91/350543891.db2.gz MFBCBQVYRYWLFJ-LLVKDONJSA-N 2 0 225.336 0.149 20 0 BCADRP C[NH+](C)[C@@H](CNC(N)=[NH2+])C1CCCCC1 ZINC000066245342 350577785 /nfs/dbraw/zinc/57/77/85/350577785.db2.gz GUMZNEKAAQFQRV-JTQLQIEISA-N 2 0 212.341 0.980 20 0 BCADRP C[C@@H](C(=O)NC1(C[NH3+])CCCC1)[C@H](C)[NH3+] ZINC000309505137 350679853 /nfs/dbraw/zinc/67/98/53/350679853.db2.gz VSSYFGNEMAJPSC-BDAKNGLRSA-N 2 0 213.325 0.357 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000571045110 350692642 /nfs/dbraw/zinc/69/26/42/350692642.db2.gz ZWNRSRHGIIJGFD-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]([NH3+])C(C)C)C1 ZINC000309515504 350694646 /nfs/dbraw/zinc/69/46/46/350694646.db2.gz YMRZONWTFFTBPV-VHSXEESVSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000237420471 350749439 /nfs/dbraw/zinc/74/94/39/350749439.db2.gz COHZOHIZHCXMBH-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP COC[C@H](C)C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000571055308 350726365 /nfs/dbraw/zinc/72/63/65/350726365.db2.gz STVUEFWDUWBGOS-GHMZBOCLSA-N 2 0 200.326 0.858 20 0 BCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C[NH3+])C1 ZINC000236770180 350742110 /nfs/dbraw/zinc/74/21/10/350742110.db2.gz BKWXOQMSRNXKGZ-JTQLQIEISA-N 2 0 213.325 0.039 20 0 BCADRP CO[C@@](C)(CO)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623560507 362985432 /nfs/dbraw/zinc/98/54/32/362985432.db2.gz IHURTUHCVQMZSY-WCQYABFASA-N 2 0 244.379 0.846 20 0 BCADRP CCCn1ncnc1CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000216160371 350921861 /nfs/dbraw/zinc/92/18/61/350921861.db2.gz XOPUEHIYVAFZRF-QWRGUYRKSA-N 2 0 237.351 0.857 20 0 BCADRP C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)O1 ZINC000398024145 362986944 /nfs/dbraw/zinc/98/69/44/362986944.db2.gz GDYZERJSKBFWRI-JHJVBQTASA-N 2 0 242.363 0.600 20 0 BCADRP OCCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958994 350871774 /nfs/dbraw/zinc/87/17/74/350871774.db2.gz MLKBZFXYXWYPFW-UHFFFAOYSA-N 2 0 242.363 0.413 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000575744937 350887234 /nfs/dbraw/zinc/88/72/34/350887234.db2.gz BMUNPNOPGLLOOJ-IUCAKERBSA-N 2 0 216.329 0.021 20 0 BCADRP CNC(=O)CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000398309990 351024249 /nfs/dbraw/zinc/02/42/49/351024249.db2.gz XHDGAHLFBDFAAK-UWVGGRQHSA-N 2 0 213.325 0.372 20 0 BCADRP CN(C(=O)[C@]1(C)CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000079510796 351066886 /nfs/dbraw/zinc/06/68/86/351066886.db2.gz LTXZHJWFNUGLCF-ZDUSSCGKSA-N 2 0 239.363 0.681 20 0 BCADRP COc1cccc([C@@H]2C[NH2+]CCN2CC[NH3+])c1 ZINC000616636133 351123005 /nfs/dbraw/zinc/12/30/05/351123005.db2.gz RLAGETFEBCQTGJ-ZDUSSCGKSA-N 2 0 235.331 0.600 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000079520629 351071200 /nfs/dbraw/zinc/07/12/00/351071200.db2.gz ZVQJUSGUCPKEOZ-WCQYABFASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000079520678 351071232 /nfs/dbraw/zinc/07/12/32/351071232.db2.gz RYBNISQZNQGOKY-ZWNOBZJWSA-N 2 0 237.347 0.481 20 0 BCADRP CC[N@@H+]1CCN(Cc2nccn2C)[C@H](C)C1 ZINC000264308199 351232302 /nfs/dbraw/zinc/23/23/02/351232302.db2.gz ZEWSQZDDQJBMFR-LLVKDONJSA-N 2 0 222.336 0.946 20 0 BCADRP O=C(CC[NH+]1CCCCCC1)N1CC[NH2+]CC1 ZINC000019685412 351261151 /nfs/dbraw/zinc/26/11/51/351261151.db2.gz ZHAXTSSUHPSKTD-UHFFFAOYSA-N 2 0 239.363 0.684 20 0 BCADRP C[C@H](O)C[N@H+](C)[C@@H]1CCC[NH+](C[C@H](C)O)CC1 ZINC000337183130 191136729 /nfs/dbraw/zinc/13/67/29/191136729.db2.gz NLKRIBFZIWECIU-RWMBFGLXSA-N 2 0 244.379 0.534 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C1([NH3+])CCC1 ZINC000088050959 351539073 /nfs/dbraw/zinc/53/90/73/351539073.db2.gz PLKZMAKDNPPNHC-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000626965096 363066615 /nfs/dbraw/zinc/06/66/15/363066615.db2.gz QTOUKRLDUAFYQJ-SNVBAGLBSA-N 2 0 240.351 0.132 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1ccnc1 ZINC000072826027 351608528 /nfs/dbraw/zinc/60/85/28/351608528.db2.gz NHGNDPDCHWDXGS-NSHDSACASA-N 2 0 236.319 0.484 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC000637802713 351634717 /nfs/dbraw/zinc/63/47/17/351634717.db2.gz SZGANNASKXXHNH-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C1 ZINC000637820844 351661521 /nfs/dbraw/zinc/66/15/21/351661521.db2.gz JNHZMUZFCGCTTI-UWVGGRQHSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000637821096 351661629 /nfs/dbraw/zinc/66/16/29/351661629.db2.gz SGBBNZLGPLTGLP-WCQGTBRESA-N 2 0 237.347 0.538 20 0 BCADRP C[NH+](C)CC1(C(=O)N2CCC[NH2+]CC2)CC1 ZINC000637804037 351640210 /nfs/dbraw/zinc/64/02/10/351640210.db2.gz SLDVEBOWXCQJTN-UHFFFAOYSA-N 2 0 225.336 0.150 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)NCC2CC[NH2+]CC2)C1 ZINC000637805474 351641343 /nfs/dbraw/zinc/64/13/43/351641343.db2.gz NXWHJGNNJCSBGF-NSHDSACASA-N 2 0 223.320 0.150 20 0 BCADRP C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC000637806691 351643976 /nfs/dbraw/zinc/64/39/76/351643976.db2.gz VPPMQTFVAAAHNB-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000637807413 351644585 /nfs/dbraw/zinc/64/45/85/351644585.db2.gz WSQRYVBIJMXEPP-JTQLQIEISA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2OCC[C@@H]2[NH3+])c1 ZINC000637809244 351646174 /nfs/dbraw/zinc/64/61/74/351646174.db2.gz NYFAIHVDXJIGHL-NWDGAFQWSA-N 2 0 249.314 0.461 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000637811920 351647708 /nfs/dbraw/zinc/64/77/08/351647708.db2.gz SOUXUEWQBSNPQL-UWVGGRQHSA-N 2 0 213.325 0.228 20 0 BCADRP C[N@H+](CC(=O)N[C@@H]1CC[NH2+]C1)CC(C)(C)C ZINC000637810163 351650341 /nfs/dbraw/zinc/65/03/41/351650341.db2.gz BAYSWJGQIRKCKC-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP COc1cccc([C@H]([NH3+])C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000637810298 351650367 /nfs/dbraw/zinc/65/03/67/351650367.db2.gz GEWYNJLSQADXEF-JQWIXIFHSA-N 2 0 249.314 0.173 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000637815871 351654633 /nfs/dbraw/zinc/65/46/33/351654633.db2.gz CPULMIWFXBUAPH-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637816404 351655598 /nfs/dbraw/zinc/65/55/98/351655598.db2.gz LEZLLCIDKVDKBQ-ZJUUUORDSA-N 2 0 213.325 0.243 20 0 BCADRP C[C@H](C(=O)NC[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000637817653 351662538 /nfs/dbraw/zinc/66/25/38/351662538.db2.gz YDBDQAMZUJLHCK-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@H](C(=O)N1CC[NH2+]C[C@@H]1C)[NH+](C)C ZINC000637817748 351662753 /nfs/dbraw/zinc/66/27/53/351662753.db2.gz BSCWUPONFQOUHX-VHSXEESVSA-N 2 0 213.325 0.147 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000637814161 351658377 /nfs/dbraw/zinc/65/83/77/351658377.db2.gz IPXFAIDEWRJMJL-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000637814166 351659247 /nfs/dbraw/zinc/65/92/47/351659247.db2.gz IPXFAIDEWRJMJL-ZJUUUORDSA-N 2 0 213.325 0.100 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C ZINC000637819586 351659514 /nfs/dbraw/zinc/65/95/14/351659514.db2.gz VNGIVTPEKJFCQJ-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H](O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000204600122 363078559 /nfs/dbraw/zinc/07/85/59/363078559.db2.gz QNXXKLIHLFYSNJ-ILDUYXDCSA-N 2 0 200.326 0.864 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCC([NH3+])CC1 ZINC000637799196 351628687 /nfs/dbraw/zinc/62/86/87/351628687.db2.gz RXXRZJSZUDGIRE-NSHDSACASA-N 2 0 227.352 0.700 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000637833609 351684059 /nfs/dbraw/zinc/68/40/59/351684059.db2.gz UVDGVVURZACQBX-GXSJLCMTSA-N 2 0 221.304 0.540 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCC(C)C)C1 ZINC000637835349 351686259 /nfs/dbraw/zinc/68/62/59/351686259.db2.gz MJBQPDJYHIKGIR-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000637836146 351687634 /nfs/dbraw/zinc/68/76/34/351687634.db2.gz SNZHTIPVEMPQMC-ZJUUUORDSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000637834369 351688873 /nfs/dbraw/zinc/68/88/73/351688873.db2.gz DHWXOAHHSMEVJZ-GXSJLCMTSA-N 2 0 223.320 0.102 20 0 BCADRP C[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)C[C@@H](C)[NH2+]1 ZINC000637839376 351689754 /nfs/dbraw/zinc/68/97/54/351689754.db2.gz JLHIAKQEUFXKMC-KKZNHRDASA-N 2 0 223.320 0.243 20 0 BCADRP C[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)C[C@H](C)[NH2+]1 ZINC000637839377 351689852 /nfs/dbraw/zinc/68/98/52/351689852.db2.gz JLHIAKQEUFXKMC-NGZCFLSTSA-N 2 0 223.320 0.243 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC([NH2+]C)CC1 ZINC000637837379 351691422 /nfs/dbraw/zinc/69/14/22/351691422.db2.gz FMPFNIXGXSJZNM-VIFPVBQESA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000637838634 351693693 /nfs/dbraw/zinc/69/36/93/351693693.db2.gz ACCWZECUGFIBTN-UTUOFQBUSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H](C)[NH2+]1 ZINC000637840612 351695897 /nfs/dbraw/zinc/69/58/97/351695897.db2.gz PMVJPALTVUUIQP-UTUOFQBUSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@@](C)(C[NH3+])C2CC2)CC1 ZINC000637840325 351695966 /nfs/dbraw/zinc/69/59/66/351695966.db2.gz GPZWWKXHUMOJAB-LBPRGKRZSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H](C)[NH2+]1 ZINC000637841085 351696843 /nfs/dbraw/zinc/69/68/43/351696843.db2.gz QFAWNLRXBZOYSJ-SRVKXCTJSA-N 2 0 239.363 0.680 20 0 BCADRP CC[C@H](C(=O)NC(CC)(CC)C[NH3+])[NH+](C)C ZINC000637841602 351697743 /nfs/dbraw/zinc/69/77/43/351697743.db2.gz UGOCVLSUNVRABW-SNVBAGLBSA-N 2 0 229.368 0.960 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000637841898 351697964 /nfs/dbraw/zinc/69/79/64/351697964.db2.gz MIHJDKPQIBFKGK-GZMMTYOYSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH3+])[NH+](C)C ZINC000637843123 351701376 /nfs/dbraw/zinc/70/13/76/351701376.db2.gz VVGBILPODNQQQF-IUCAKERBSA-N 2 0 201.314 0.132 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N(C)[C@H](C)C[NH3+] ZINC000637843143 351701484 /nfs/dbraw/zinc/70/14/84/351701484.db2.gz WLNPDCDXGZYDMR-NXEZZACHSA-N 2 0 215.341 0.556 20 0 BCADRP CC[C@@H](C(=O)N[C@@H](C[NH3+])CC(C)C)[NH+](C)C ZINC000637842928 351701504 /nfs/dbraw/zinc/70/15/04/351701504.db2.gz BASQMLKKOUEIMN-MNOVXSKESA-N 2 0 229.368 0.816 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC(CC)(CC)C[NH3+] ZINC000637843587 351702277 /nfs/dbraw/zinc/70/22/77/351702277.db2.gz XUUOEFDSSSVRHR-SECBINFHSA-N 2 0 215.341 0.618 20 0 BCADRP COC[C@H](C)C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000577708939 366041386 /nfs/dbraw/zinc/04/13/86/366041386.db2.gz KRZAVZZGXQIVCQ-MXWKQRLJSA-N 2 0 200.326 0.999 20 0 BCADRP C[C@H](C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])[NH+](C)C ZINC000637846129 351704252 /nfs/dbraw/zinc/70/42/52/351704252.db2.gz FFFJRWMUBVUHDJ-MXWKQRLJSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H](C(=O)N[C@@H](C[NH3+])C1CCCCC1)[NH+](C)C ZINC000637845872 351704383 /nfs/dbraw/zinc/70/43/83/351704383.db2.gz SQYKBZUHPWWUGB-PWSUYJOCSA-N 2 0 241.379 0.960 20 0 BCADRP COc1cccc([C@H]([NH3+])C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000637821557 351665960 /nfs/dbraw/zinc/66/59/60/351665960.db2.gz UBJASDVWIODPJE-JQWIXIFHSA-N 2 0 249.314 0.255 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])C1 ZINC000637822570 351667115 /nfs/dbraw/zinc/66/71/15/351667115.db2.gz LCXDIABYOARGCC-GHMZBOCLSA-N 2 0 227.352 0.557 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000637823655 351668958 /nfs/dbraw/zinc/66/89/58/351668958.db2.gz SLNIMTNGATYGLH-GHMZBOCLSA-N 2 0 225.336 0.135 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000637823659 351669132 /nfs/dbraw/zinc/66/91/32/351669132.db2.gz SLNIMTNGATYGLH-WDEREUQCSA-N 2 0 225.336 0.135 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC000637823768 351669198 /nfs/dbraw/zinc/66/91/98/351669198.db2.gz IJMKAGBTOFGIAJ-JTQLQIEISA-N 2 0 229.368 0.818 20 0 BCADRP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000637823912 351669663 /nfs/dbraw/zinc/66/96/63/351669663.db2.gz VIYULGSDWQKYAJ-JTQLQIEISA-N 2 0 225.336 0.135 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]C2CC2)C1 ZINC000637827440 351669794 /nfs/dbraw/zinc/66/97/94/351669794.db2.gz HGIPTFSYWXLUSZ-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCCC[NH2+]C(C)C ZINC000637828140 351671315 /nfs/dbraw/zinc/67/13/15/351671315.db2.gz CCMIBHIVEMCBMA-SNVBAGLBSA-N 2 0 215.341 0.489 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000637827356 351675821 /nfs/dbraw/zinc/67/58/21/351675821.db2.gz QCYRMNXYNMEDEM-SECBINFHSA-N 2 0 237.303 0.529 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000637827250 351675891 /nfs/dbraw/zinc/67/58/91/351675891.db2.gz OILSMQLDMDMKFD-QWRGUYRKSA-N 2 0 227.352 0.618 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000577731606 366046641 /nfs/dbraw/zinc/04/66/41/366046641.db2.gz JPBAVTSYVUZKDP-NWDGAFQWSA-N 2 0 237.347 0.481 20 0 BCADRP Cc1nc[nH]c1CC(=O)N1CC[NH2+]CC1(C)C ZINC000637857151 351717150 /nfs/dbraw/zinc/71/71/50/351717150.db2.gz MJRSUDUPPRSBCD-UHFFFAOYSA-N 2 0 236.319 0.471 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)Cn1ccnc1C ZINC000637859379 351717218 /nfs/dbraw/zinc/71/72/18/351717218.db2.gz VYPBNEDMZBTBMU-UHFFFAOYSA-N 2 0 238.335 0.825 20 0 BCADRP C[N@H+](CC(=O)NCC(C)(C)[NH3+])CC(C)(C)C ZINC000637857886 351718543 /nfs/dbraw/zinc/71/85/43/351718543.db2.gz RBKKZRCPDWEBNA-UHFFFAOYSA-N 2 0 229.368 0.818 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000637858549 351720248 /nfs/dbraw/zinc/72/02/48/351720248.db2.gz HWRQNYIKEKTBKH-MXWKQRLJSA-N 2 0 225.336 0.289 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000637859716 351721212 /nfs/dbraw/zinc/72/12/12/351721212.db2.gz NQHLRHPPXODYID-UTUOFQBUSA-N 2 0 235.331 0.387 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000637860880 351721920 /nfs/dbraw/zinc/72/19/20/351721920.db2.gz DWOOPYBNHCTRBJ-WDEREUQCSA-N 2 0 229.368 0.816 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000637861635 351722672 /nfs/dbraw/zinc/72/26/72/351722672.db2.gz HRUMYHHXYFIESY-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@H](C(=O)N(C)CC(C)(C)C[NH3+])[NH+](C)C ZINC000637861663 351722734 /nfs/dbraw/zinc/72/27/34/351722734.db2.gz JRYPFSAEWABFLK-SNVBAGLBSA-N 2 0 229.368 0.770 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]C)[NH+](C)C ZINC000637862231 351723049 /nfs/dbraw/zinc/72/30/49/351723049.db2.gz MLYPXAVWILKPHF-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000637865934 351725791 /nfs/dbraw/zinc/72/57/91/351725791.db2.gz GMNGBNPVACGYNH-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000626986087 363084480 /nfs/dbraw/zinc/08/44/80/363084480.db2.gz ADMLFSCBNCVFTH-OUAUKWLOSA-N 2 0 240.351 0.130 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000637853199 351708968 /nfs/dbraw/zinc/70/89/68/351708968.db2.gz SENLARRDVPVCAX-AAEUAGOBSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000637853517 351708991 /nfs/dbraw/zinc/70/89/91/351708991.db2.gz VLDUDWMWQLWZSG-MWLCHTKSSA-N 2 0 215.341 0.474 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CCC1C[NH2+]C1 ZINC000637853710 351709762 /nfs/dbraw/zinc/70/97/62/351709762.db2.gz WZKFALSZWCBCMX-GFCCVEGCSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000637851654 351710238 /nfs/dbraw/zinc/71/02/38/351710238.db2.gz JXCSNWHXMWBJJS-YPMHNXCESA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@@H+]1C ZINC000637854327 351713165 /nfs/dbraw/zinc/71/31/65/351713165.db2.gz GUDIGMQNFYWEQV-SDDRHHMPSA-N 2 0 239.363 0.570 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000637854300 351713393 /nfs/dbraw/zinc/71/33/93/351713393.db2.gz GFWCMSCRMUVOIH-JTQLQIEISA-N 2 0 213.325 0.278 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000637854714 351714250 /nfs/dbraw/zinc/71/42/50/351714250.db2.gz DOFNSNKEPHFPAN-MWLCHTKSSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+][C@H](C(=O)NCCC[C@H]1CCC[NH2+]1)C1CCC1 ZINC000577849003 366072364 /nfs/dbraw/zinc/07/23/64/366072364.db2.gz RQZJEDFCCJBBND-NEPJUHHUSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+][C@@H](C(=O)NCCC[C@H]1CCC[NH2+]1)C1CCC1 ZINC000577849006 366074051 /nfs/dbraw/zinc/07/40/51/366074051.db2.gz RQZJEDFCCJBBND-VXGBXAGGSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+][C@@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)C1CCC1 ZINC000577849004 366075173 /nfs/dbraw/zinc/07/51/73/366075173.db2.gz RQZJEDFCCJBBND-NWDGAFQWSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](C)CC[NH3+] ZINC000577847411 366081948 /nfs/dbraw/zinc/08/19/48/366081948.db2.gz NELCXGVXVVPYQX-XHNCKOQMSA-N 2 0 216.329 0.149 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000638075244 351947085 /nfs/dbraw/zinc/94/70/85/351947085.db2.gz DAMYKDZEXGMUMD-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000638075832 351947481 /nfs/dbraw/zinc/94/74/81/351947481.db2.gz UOEQKKPVFLSZNK-JHJVBQTASA-N 2 0 249.358 0.777 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)CCC1C[NH2+]C1 ZINC000638047987 351925912 /nfs/dbraw/zinc/92/59/12/351925912.db2.gz LPTROAXSXCTXFU-UHFFFAOYSA-N 2 0 241.379 0.690 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000638047436 351926825 /nfs/dbraw/zinc/92/68/25/351926825.db2.gz HNNXLYMZAPJZRO-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638049408 351927476 /nfs/dbraw/zinc/92/74/76/351927476.db2.gz FAUBBROAJDDWRZ-SNVBAGLBSA-N 2 0 225.336 0.490 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000638075833 351947893 /nfs/dbraw/zinc/94/78/93/351947893.db2.gz UOEQKKPVFLSZNK-UPJWGTAASA-N 2 0 249.358 0.777 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000638051851 351929288 /nfs/dbraw/zinc/92/92/88/351929288.db2.gz SWNTWHKVYYHENL-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH+](C)CCCCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638065909 351936932 /nfs/dbraw/zinc/93/69/32/351936932.db2.gz CMJOVMGMRQIPPM-LLVKDONJSA-N 2 0 225.336 0.492 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000638069355 351941219 /nfs/dbraw/zinc/94/12/19/351941219.db2.gz JMNCTBKFKPFMIA-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000638070706 351942354 /nfs/dbraw/zinc/94/23/54/351942354.db2.gz VFGURGLCWAHFQP-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638071262 351943685 /nfs/dbraw/zinc/94/36/85/351943685.db2.gz BBWYHTIAXCBYAG-PWSUYJOCSA-N 2 0 237.347 0.492 20 0 BCADRP COC[C@@H](O)C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000574983804 351888679 /nfs/dbraw/zinc/88/86/79/351888679.db2.gz BYTOSVVRCDJHKF-OLZOCXBDSA-N 2 0 244.379 0.848 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000638075245 351946561 /nfs/dbraw/zinc/94/65/61/351946561.db2.gz DAMYKDZEXGMUMD-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP C[NH+](C)C1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638142965 352006880 /nfs/dbraw/zinc/00/68/80/352006880.db2.gz WHPSVUSKVOFDQF-LLVKDONJSA-N 2 0 237.347 0.587 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)C[N@H+](C)CC(C)(C)C ZINC000638145225 352008236 /nfs/dbraw/zinc/00/82/36/352008236.db2.gz QAGITPPZBRYFNA-JTQLQIEISA-N 2 0 229.368 0.675 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638147597 352008858 /nfs/dbraw/zinc/00/88/58/352008858.db2.gz WOWZXNVODQWFOR-TUAOUCFPSA-N 2 0 239.363 0.666 20 0 BCADRP CCC[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000638148408 352009716 /nfs/dbraw/zinc/00/97/16/352009716.db2.gz YINAVWLFADVHFA-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]([NH3+])CCC(C)C ZINC000638147863 352009772 /nfs/dbraw/zinc/00/97/72/352009772.db2.gz POXCKLNNZIJDFL-LLVKDONJSA-N 2 0 229.368 0.866 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C1=CC[C@H]([NH3+])C1)C1CC1 ZINC000638077892 351951375 /nfs/dbraw/zinc/95/13/75/351951375.db2.gz XUJVIQFHQSWBHI-NWDGAFQWSA-N 2 0 237.347 0.490 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000638079532 351952848 /nfs/dbraw/zinc/95/28/48/351952848.db2.gz UGWSOYZLCUWUPE-VXGBXAGGSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000638080148 351953196 /nfs/dbraw/zinc/95/31/96/351953196.db2.gz ZLUNTLUXFAXJNZ-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)C[C@@H](CNC(=O)C1([NH3+])CC1)[NH+](C)C ZINC000083835357 351956856 /nfs/dbraw/zinc/95/68/56/351956856.db2.gz UKCMRHXLVNUDAE-JTQLQIEISA-N 2 0 227.352 0.570 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H](C)[NH2+]CC ZINC000638146970 352010989 /nfs/dbraw/zinc/01/09/89/352010989.db2.gz LAYVGZRJJDQOMC-SECBINFHSA-N 2 0 201.314 0.100 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000638085592 351962224 /nfs/dbraw/zinc/96/22/24/351962224.db2.gz RQWPQWBMXAXVAN-VHSXEESVSA-N 2 0 215.341 0.441 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC1CC[NH+](C)CC1 ZINC000638087102 351964944 /nfs/dbraw/zinc/96/49/44/351964944.db2.gz ZRXTYXVDKYUDPT-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CCC1C[NH2+]C1 ZINC000638095688 351975292 /nfs/dbraw/zinc/97/52/92/351975292.db2.gz BPZTUIFTLAJUEQ-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP O=C(NCC1C[NH2+]C1)C12CCC[NH+](CCC1)C2 ZINC000638151315 352012116 /nfs/dbraw/zinc/01/21/16/352012116.db2.gz CCIKJUPNFJCHFV-UHFFFAOYSA-N 2 0 237.347 0.198 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)CCC2C[NH2+]C2)C1 ZINC000638126491 351998142 /nfs/dbraw/zinc/99/81/42/351998142.db2.gz NFSWBAJVQMMUBZ-NSHDSACASA-N 2 0 239.363 0.444 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000638133516 352000371 /nfs/dbraw/zinc/00/03/71/352000371.db2.gz IIGXRRQEFNXQPG-FOGDFJRCSA-N 2 0 239.363 0.583 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000638138570 352002614 /nfs/dbraw/zinc/00/26/14/352002614.db2.gz HUXUXCNNQQKIIQ-GXSJLCMTSA-N 2 0 225.336 0.337 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH3+] ZINC000638140370 352003957 /nfs/dbraw/zinc/00/39/57/352003957.db2.gz AIOVEIDEVUMMIS-VHSXEESVSA-N 2 0 215.341 0.461 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000638143729 352005965 /nfs/dbraw/zinc/00/59/65/352005965.db2.gz JGPIMGOKULPICJ-NSHDSACASA-N 2 0 239.363 0.573 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000638176102 352041979 /nfs/dbraw/zinc/04/19/79/352041979.db2.gz CCIFVONQJMGKIT-SRVKXCTJSA-N 2 0 241.379 0.864 20 0 BCADRP Cc1nc[nH]c1CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000638175939 352042317 /nfs/dbraw/zinc/04/23/17/352042317.db2.gz ACPVIAUBGWANQX-LDYMZIIASA-N 2 0 236.319 0.375 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H](C)[NH2+]CC ZINC000638212831 352074618 /nfs/dbraw/zinc/07/46/18/352074618.db2.gz NJUVYKOBSBJZSM-BDAKNGLRSA-N 2 0 201.314 0.099 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638177739 352045146 /nfs/dbraw/zinc/04/51/46/352045146.db2.gz MEDHDIJKSPCHJL-FBIMIBRVSA-N 2 0 223.320 0.148 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638182928 352046302 /nfs/dbraw/zinc/04/63/02/352046302.db2.gz YZKJDIZFTPSSPS-UTUOFQBUSA-N 2 0 239.363 0.442 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000638179125 352046445 /nfs/dbraw/zinc/04/64/45/352046445.db2.gz QBIRTHZEJXEDBX-AEJSXWLSSA-N 2 0 213.325 0.099 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000638190037 352053319 /nfs/dbraw/zinc/05/33/19/352053319.db2.gz GVWKVNWYRNDISJ-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000638197919 352060515 /nfs/dbraw/zinc/06/05/15/352060515.db2.gz FTAUQCITPYCLPL-WCQGTBRESA-N 2 0 235.331 0.244 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)[NH+](C)C ZINC000638203202 352064431 /nfs/dbraw/zinc/06/44/31/352064431.db2.gz SJVXRHAFAQNMIK-MXWKQRLJSA-N 2 0 225.336 0.147 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)CCC2C[NH2+]C2)[C@H]1C ZINC000638203814 352065309 /nfs/dbraw/zinc/06/53/09/352065309.db2.gz HRSBGZBZQYLBGS-ZJUUUORDSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC000638204087 352065737 /nfs/dbraw/zinc/06/57/37/352065737.db2.gz IJIHXNGGDJRYNM-SDDRHHMPSA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@H](C(=O)NC1(C)CC[NH2+]CC1)[NH+](C)C ZINC000638207264 352066645 /nfs/dbraw/zinc/06/66/45/352066645.db2.gz YRXNUFUOEXRCOT-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000638205174 352067364 /nfs/dbraw/zinc/06/73/64/352067364.db2.gz GRZJCIRJBKMZQL-IVZWLZJFSA-N 2 0 213.325 0.193 20 0 BCADRP CC[C@@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000638206183 352067944 /nfs/dbraw/zinc/06/79/44/352067944.db2.gz JYWDLUZPZNVTJK-JLLWLGSASA-N 2 0 237.347 0.620 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638214324 352076422 /nfs/dbraw/zinc/07/64/22/352076422.db2.gz YXXYKKBCAQANQX-GRYCIOLGSA-N 2 0 239.363 0.428 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000638208927 352071208 /nfs/dbraw/zinc/07/12/08/352071208.db2.gz WVXPZRXRUGVZBX-UTUOFQBUSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638210085 352072563 /nfs/dbraw/zinc/07/25/63/352072563.db2.gz MWHPTCCZEYRBKK-LSJOCFKGSA-N 2 0 223.320 0.291 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638210082 352072891 /nfs/dbraw/zinc/07/28/91/352072891.db2.gz MWHPTCCZEYRBKK-GDPRMGEGSA-N 2 0 223.320 0.291 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C)C[NH2+]1 ZINC000638157041 352020587 /nfs/dbraw/zinc/02/05/87/352020587.db2.gz BAJHXNATXWPSEK-UTUOFQBUSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C[NH2+]1 ZINC000638160470 352024617 /nfs/dbraw/zinc/02/46/17/352024617.db2.gz XXTFDDMBLAWKPK-QWRGUYRKSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000638160750 352025378 /nfs/dbraw/zinc/02/53/78/352025378.db2.gz JUQSDIYFSJNMLU-JTQLQIEISA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638157970 352025631 /nfs/dbraw/zinc/02/56/31/352025631.db2.gz YCIGMHGQAUXNJY-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH3+])CC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000638162023 352026629 /nfs/dbraw/zinc/02/66/29/352026629.db2.gz YUGSPEWZEPNORK-VIFPVBQESA-N 2 0 237.303 0.700 20 0 BCADRP C[C@@]1(CNC(=O)CCC2C[NH2+]C2)CCC[NH2+]C1 ZINC000638163094 352027525 /nfs/dbraw/zinc/02/75/25/352027525.db2.gz OAVRKKFCJURWLZ-CYBMUJFWSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000638164852 352030172 /nfs/dbraw/zinc/03/01/72/352030172.db2.gz MMVGOKOZRGONTR-NAKRPEOUSA-N 2 0 225.336 0.310 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000638166272 352030789 /nfs/dbraw/zinc/03/07/89/352030789.db2.gz WEMCDGWVGMDVOF-JQWIXIFHSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@@]1(CNC(=O)C2=CC[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000638164284 352032418 /nfs/dbraw/zinc/03/24/18/352032418.db2.gz KHBKEKVOWNKIFW-DGCLKSJQSA-N 2 0 237.347 0.540 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000638169815 352033659 /nfs/dbraw/zinc/03/36/59/352033659.db2.gz MGCYTACSVYOLOT-SNVBAGLBSA-N 2 0 227.352 0.537 20 0 BCADRP CN(C(=O)C1=CC[C@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000638171389 352038646 /nfs/dbraw/zinc/03/86/46/352038646.db2.gz VEVRGALWCVETQZ-NSHDSACASA-N 2 0 237.347 0.587 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000638282375 352120390 /nfs/dbraw/zinc/12/03/90/352120390.db2.gz DGKLFSRGZYSPIO-VXGBXAGGSA-N 2 0 241.379 0.783 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000638287580 352123816 /nfs/dbraw/zinc/12/38/16/352123816.db2.gz WHRFVPWWEVHBOU-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000638287977 352124693 /nfs/dbraw/zinc/12/46/93/352124693.db2.gz YOFFKZQAVDHQRA-TUAOUCFPSA-N 2 0 241.379 0.783 20 0 BCADRP CO[C@@H](C[NH2+]CCC[NH+](C)C)[C@@H]1CCOC1 ZINC000638289231 352125063 /nfs/dbraw/zinc/12/50/63/352125063.db2.gz FVEAEHOJCAUGDO-NEPJUHHUSA-N 2 0 230.352 0.579 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000638220900 352079953 /nfs/dbraw/zinc/07/99/53/352079953.db2.gz UDTYOVXXHIYJPR-GXSJLCMTSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CCC1C[NH2+]C1 ZINC000638225319 352083642 /nfs/dbraw/zinc/08/36/42/352083642.db2.gz WXAWZUQRZWASTI-QWRGUYRKSA-N 2 0 243.326 0.144 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638232162 352084184 /nfs/dbraw/zinc/08/41/84/352084184.db2.gz DKOYJDWHGLAYSF-VXGBXAGGSA-N 2 0 237.347 0.764 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638232159 352084511 /nfs/dbraw/zinc/08/45/11/352084511.db2.gz DKOYJDWHGLAYSF-NEPJUHHUSA-N 2 0 237.347 0.764 20 0 BCADRP C[C@H](C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C)[NH+](C)C ZINC000638229707 352085250 /nfs/dbraw/zinc/08/52/50/352085250.db2.gz GRSPHDIVHXDESV-LMLFDSFASA-N 2 0 227.352 0.439 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000638233586 352085851 /nfs/dbraw/zinc/08/58/51/352085851.db2.gz WFRFNCPVNUTTKI-LMLFDSFASA-N 2 0 227.352 0.487 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)CCC1C[NH2+]C1 ZINC000638235155 352086417 /nfs/dbraw/zinc/08/64/17/352086417.db2.gz RGKVFIHZZURZOS-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC000638236276 352086871 /nfs/dbraw/zinc/08/68/71/352086871.db2.gz AQWJDNKMMWVRJY-QWRGUYRKSA-N 2 0 241.379 0.912 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000638235953 352087076 /nfs/dbraw/zinc/08/70/76/352087076.db2.gz SPBSVCACAGOGIE-AAEUAGOBSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)C1(C[NH+](C)C)CC1 ZINC000638242745 352089907 /nfs/dbraw/zinc/08/99/07/352089907.db2.gz SHCKJBNVCJSDSG-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)C1(C[NH+](C)C)CC1 ZINC000638242746 352090065 /nfs/dbraw/zinc/09/00/65/352090065.db2.gz SHCKJBNVCJSDSG-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000638245108 352092450 /nfs/dbraw/zinc/09/24/50/352092450.db2.gz RQSJMDIDXZUDEE-MNOVXSKESA-N 2 0 235.331 0.292 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000638245832 352092742 /nfs/dbraw/zinc/09/27/42/352092742.db2.gz GGURPXCKZGHLGG-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)[NH+](C)C ZINC000638248135 352093935 /nfs/dbraw/zinc/09/39/35/352093935.db2.gz WURCIQUVBAIAOU-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000638243572 352094086 /nfs/dbraw/zinc/09/40/86/352094086.db2.gz BHDHVQDWPIIOJM-VHSXEESVSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH3+])CC[N@@H+]1C ZINC000638252757 352095857 /nfs/dbraw/zinc/09/58/57/352095857.db2.gz VXNSLNSVCBTZRS-GRYCIOLGSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638252726 352095945 /nfs/dbraw/zinc/09/59/45/352095945.db2.gz VLFSEKXKSLAQDV-SCZZXKLOSA-N 2 0 211.309 0.278 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)[C@H](C)[NH3+] ZINC000638253514 352096628 /nfs/dbraw/zinc/09/66/28/352096628.db2.gz AEVCVTQSBFHHNA-AEJSXWLSSA-N 2 0 213.325 0.323 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000638253772 352096931 /nfs/dbraw/zinc/09/69/31/352096931.db2.gz DISXCDKGDHAZBD-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH3+] ZINC000638254865 352097992 /nfs/dbraw/zinc/09/79/92/352097992.db2.gz IZLVKFGUONKNCE-VHSXEESVSA-N 2 0 229.368 0.816 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000638258558 352102356 /nfs/dbraw/zinc/10/23/56/352102356.db2.gz HXEJLMQUTWBKPW-MRVPVSSYSA-N 2 0 249.305 0.427 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)c1oc(C[NH3+])cc1C ZINC000638259013 352103057 /nfs/dbraw/zinc/10/30/57/352103057.db2.gz MDRIYQNGEIDTQT-QMMMGPOBSA-N 2 0 225.292 0.514 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000638261436 352103512 /nfs/dbraw/zinc/10/35/12/352103512.db2.gz GJWYNQWAPOZSGW-WDEREUQCSA-N 2 0 227.352 0.633 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000638261277 352103650 /nfs/dbraw/zinc/10/36/50/352103650.db2.gz DJYWHEUZKRWTSI-UWVGGRQHSA-N 2 0 227.352 0.489 20 0 BCADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH3+])C1 ZINC000638256231 352103808 /nfs/dbraw/zinc/10/38/08/352103808.db2.gz RPMFPPFCZXPDTA-WHXUTIOJSA-N 2 0 225.336 0.276 20 0 BCADRP O=C(CCC1C[NH2+]C1)NCCC[C@H]1CCC[NH2+]1 ZINC000638264106 352104787 /nfs/dbraw/zinc/10/47/87/352104787.db2.gz BNHNCMBPQBHCDS-GFCCVEGCSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000083960729 352105686 /nfs/dbraw/zinc/10/56/86/352105686.db2.gz JPOAFKIOIQYIOS-LLVKDONJSA-N 2 0 239.363 0.811 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21)[NH+](C)C ZINC000638265514 352105832 /nfs/dbraw/zinc/10/58/32/352105832.db2.gz DEMIPLZMMVFPJC-QJPTWQEYSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000638266544 352106113 /nfs/dbraw/zinc/10/61/13/352106113.db2.gz KMGRBXDMXIYISA-NTSWFWBYSA-N 2 0 227.230 0.120 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000638269158 352108454 /nfs/dbraw/zinc/10/84/54/352108454.db2.gz WZGYVAPKBYRMBD-QJPTWQEYSA-N 2 0 235.331 0.244 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[NH2+]C1(C)C)[NH+](C)C ZINC000638271128 352109500 /nfs/dbraw/zinc/10/95/00/352109500.db2.gz SMQLRHJTTNSCQR-RKDXNWHRSA-N 2 0 213.325 0.193 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638276219 352113303 /nfs/dbraw/zinc/11/33/03/352113303.db2.gz RPEAPLIEWRWZQF-NWDGAFQWSA-N 2 0 237.347 0.587 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(CCOC)CC[NH+](C)C ZINC000638278752 352115528 /nfs/dbraw/zinc/11/55/28/352115528.db2.gz VFSFQMGLGDLCLZ-NSHDSACASA-N 2 0 245.367 0.021 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH3+])C(C)(C)C)C1 ZINC000638335095 352151018 /nfs/dbraw/zinc/15/10/18/352151018.db2.gz GIDMVCYARDUJHS-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCCC1(C[NH3+])CC1 ZINC000638388127 352197284 /nfs/dbraw/zinc/19/72/84/352197284.db2.gz QSNYQMDMKXSUDS-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)[NH+](C)C ZINC000638340611 352160318 /nfs/dbraw/zinc/16/03/18/352160318.db2.gz IBIIWYJSUCSDGQ-MXWKQRLJSA-N 2 0 227.352 0.380 20 0 BCADRP C[C@@H]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000638344726 352161530 /nfs/dbraw/zinc/16/15/30/352161530.db2.gz XTEHTOHUIPLBEX-JLLWLGSASA-N 2 0 237.347 0.477 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC000638344943 352163663 /nfs/dbraw/zinc/16/36/63/352163663.db2.gz RXRDRSPWTFHHGD-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000638369951 352180058 /nfs/dbraw/zinc/18/00/58/352180058.db2.gz JQQIXTDIBNUFDU-DCAQKATOSA-N 2 0 229.368 0.992 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000638370307 352181003 /nfs/dbraw/zinc/18/10/03/352181003.db2.gz KZGMHLOIBUKQCN-RKDXNWHRSA-N 2 0 239.319 0.902 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638371680 352184877 /nfs/dbraw/zinc/18/48/77/352184877.db2.gz TTZLIRGPYIBTSE-NRPADANISA-N 2 0 211.309 0.276 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638376304 352186394 /nfs/dbraw/zinc/18/63/94/352186394.db2.gz JKVRWXDFTBCWTJ-GFCCVEGCSA-N 2 0 239.363 0.834 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000638377439 352188865 /nfs/dbraw/zinc/18/88/65/352188865.db2.gz UJEMOSJBAAXCJM-VXGBXAGGSA-N 2 0 249.358 0.825 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638381689 352193992 /nfs/dbraw/zinc/19/39/92/352193992.db2.gz MPFMIPSPEMNVPQ-KSGYAGIASA-N 2 0 249.358 0.764 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000638312240 352138013 /nfs/dbraw/zinc/13/80/13/352138013.db2.gz FCRDSNJQNUMJJV-WOPDTQHZSA-N 2 0 239.363 0.537 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C3=CC[C@H]([NH3+])C3)[C@@H]2C1 ZINC000638313323 352139941 /nfs/dbraw/zinc/13/99/41/352139941.db2.gz UAEZXTVRPIBFLO-KGYLQXTDSA-N 2 0 249.358 0.587 20 0 BCADRP CC[C@H](C(=O)N[C@H](C[NH3+])C1CCCC1)[NH+](C)C ZINC000638325803 352145570 /nfs/dbraw/zinc/14/55/70/352145570.db2.gz GYYZOIPUEZNFQS-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000638330714 352148733 /nfs/dbraw/zinc/14/87/33/352148733.db2.gz SPCXSLFSGHNPAO-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638396541 352203183 /nfs/dbraw/zinc/20/31/83/352203183.db2.gz KXHOIUDLNSKDJJ-UTUOFQBUSA-N 2 0 239.363 0.809 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000638396042 352203251 /nfs/dbraw/zinc/20/32/51/352203251.db2.gz HKGVTSIIHHBASC-IVZWLZJFSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000638399540 352203969 /nfs/dbraw/zinc/20/39/69/352203969.db2.gz ITFKJRIRYUYEON-SRVKXCTJSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H](C(=O)NCCC1CC[NH2+]CC1)[NH+](C)C ZINC000638396757 352204160 /nfs/dbraw/zinc/20/41/60/352204160.db2.gz MNDMNPXCSYWRGN-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638401480 352207672 /nfs/dbraw/zinc/20/76/72/352207672.db2.gz BSIMUZCHTGMCAO-VIFPVBQESA-N 2 0 211.309 0.230 20 0 BCADRP C[C@H](C(=O)NCC1([NH3+])CCCC1)[NH+](C)C ZINC000638408758 352217644 /nfs/dbraw/zinc/21/76/44/352217644.db2.gz DEFKRDQAIKZNSW-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)NCC2([NH3+])CCCC2)C1 ZINC000638410455 352219756 /nfs/dbraw/zinc/21/97/56/352219756.db2.gz BVWKUTJUTITEBU-JTQLQIEISA-N 2 0 223.320 0.422 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638432962 352241680 /nfs/dbraw/zinc/24/16/80/352241680.db2.gz OHXXCLDDAISLGQ-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000638437772 352245063 /nfs/dbraw/zinc/24/50/63/352245063.db2.gz UVRVECMYPOEZDT-ZYHUDNBSSA-N 2 0 227.352 0.618 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000638438777 352245167 /nfs/dbraw/zinc/24/51/67/352245167.db2.gz CNLLQYNUBLSBCK-PWSUYJOCSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000638440635 352247043 /nfs/dbraw/zinc/24/70/43/352247043.db2.gz OOFXAHGGIZLFPP-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)CC(C)(C)[NH3+] ZINC000638484467 352293925 /nfs/dbraw/zinc/29/39/25/352293925.db2.gz QWNWKTVJFWJMBR-SNVBAGLBSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)CC1([NH3+])CCC1 ZINC000638484850 352294756 /nfs/dbraw/zinc/29/47/56/352294756.db2.gz UXZUAOPYDAXQAW-LLVKDONJSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638489568 352300315 /nfs/dbraw/zinc/30/03/15/352300315.db2.gz OCQCAXUTXMVJJF-VXGBXAGGSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@@H](C(=O)N1CC[NH2+]C[C@H]1C(C)C)[NH+](C)C ZINC000638491412 352302290 /nfs/dbraw/zinc/30/22/90/352302290.db2.gz IDYOOALJGJLUJD-RYUDHWBXSA-N 2 0 241.379 0.783 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000638522700 352356540 /nfs/dbraw/zinc/35/65/40/352356540.db2.gz OTOHAPHDYCHQPK-ZDUSSCGKSA-N 2 0 247.342 0.681 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C12CCC2)C1CC[NH2+]CC1 ZINC000638500720 352321346 /nfs/dbraw/zinc/32/13/46/352321346.db2.gz WRSHTOYMNBYDNJ-NSHDSACASA-N 2 0 237.347 0.387 20 0 BCADRP [NH3+]C1(CC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000638507802 352329451 /nfs/dbraw/zinc/32/94/51/352329451.db2.gz LMKOMKXPMZNPEW-SECBINFHSA-N 2 0 223.320 0.269 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000638508178 352330205 /nfs/dbraw/zinc/33/02/05/352330205.db2.gz KXUMGJIZJRALNT-CHWFTXMASA-N 2 0 235.331 0.138 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638507458 352330439 /nfs/dbraw/zinc/33/04/39/352330439.db2.gz IGKBCMTZDSZNPZ-UWVGGRQHSA-N 2 0 225.336 0.385 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000638510289 352333511 /nfs/dbraw/zinc/33/35/11/352333511.db2.gz HZKWPJCMCVXTTC-KXUCPTDWSA-N 2 0 223.320 0.125 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CC[NH2+]C12CCC2)[NH+](C)C ZINC000638511901 352336294 /nfs/dbraw/zinc/33/62/94/352336294.db2.gz HRBWKGYWLFKWKU-MNOVXSKESA-N 2 0 239.363 0.727 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638513600 352339127 /nfs/dbraw/zinc/33/91/27/352339127.db2.gz NQVDGRNZGKZJAZ-UWVGGRQHSA-N 2 0 225.336 0.385 20 0 BCADRP CCN(CC[NH3+])C(=O)c1ccccc1CC[NH2+]C ZINC000638516824 352345427 /nfs/dbraw/zinc/34/54/27/352345427.db2.gz XKADXJJSGBTUQO-UHFFFAOYSA-N 2 0 249.358 0.869 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]([NH3+])c1ccccc1 ZINC000638517152 352345550 /nfs/dbraw/zinc/34/55/50/352345550.db2.gz NLDODXXWRXBLCV-LLVKDONJSA-N 2 0 221.304 0.494 20 0 BCADRP CCN(CC[NH3+])C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000638517088 352347040 /nfs/dbraw/zinc/34/70/40/352347040.db2.gz MAODHDJZKJPERJ-UHFFFAOYSA-N 2 0 233.315 0.711 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1c[nH+]ccc1N ZINC000638572099 352400372 /nfs/dbraw/zinc/40/03/72/352400372.db2.gz HNOUUOMPGXINET-WDEREUQCSA-N 2 0 234.303 0.364 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000638566604 352393085 /nfs/dbraw/zinc/39/30/85/352393085.db2.gz AKLNWMMJMQUUGB-AEJSXWLSSA-N 2 0 213.325 0.226 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CCC[NH2+]C ZINC000638568010 352395666 /nfs/dbraw/zinc/39/56/66/352395666.db2.gz VIMDCQJPSHGMOG-VHSXEESVSA-N 2 0 213.325 0.243 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000638571896 352396393 /nfs/dbraw/zinc/39/63/93/352396393.db2.gz BCONDQGJRMLXJN-ZRUFSTJUSA-N 2 0 225.336 0.241 20 0 BCADRP CCN(CC[NH3+])C(=O)C1(C[NH3+])CCCC1 ZINC000638522889 352357311 /nfs/dbraw/zinc/35/73/11/352357311.db2.gz SODTYDHAGDVTNZ-UHFFFAOYSA-N 2 0 213.325 0.313 20 0 BCADRP CCN(CC[NH3+])C(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000638523006 352357381 /nfs/dbraw/zinc/35/73/81/352357381.db2.gz YXJJAFUMILTZIO-CYBMUJFWSA-N 2 0 249.358 0.754 20 0 BCADRP CCN(CC[NH3+])C(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000638523007 352357478 /nfs/dbraw/zinc/35/74/78/352357478.db2.gz YXJJAFUMILTZIO-ZDUSSCGKSA-N 2 0 249.358 0.754 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638573832 352403702 /nfs/dbraw/zinc/40/37/02/352403702.db2.gz JJQYTLQBLXZZMS-GRYCIOLGSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000638574058 352403929 /nfs/dbraw/zinc/40/39/29/352403929.db2.gz NVDUMIZMCZQWPS-KXNHARMFSA-N 2 0 241.379 0.863 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[C@@H](C)[NH3+] ZINC000638651037 352492732 /nfs/dbraw/zinc/49/27/32/352492732.db2.gz MZHUQQWZQSOTJF-WYUUTHIRSA-N 2 0 241.379 0.863 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638653808 352494051 /nfs/dbraw/zinc/49/40/51/352494051.db2.gz HJORRMCCFJXBNF-MXWKQRLJSA-N 2 0 227.352 0.617 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638638484 352480059 /nfs/dbraw/zinc/48/00/59/352480059.db2.gz DLBMQEHBUOKSSA-AEJSXWLSSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C[NH2+]1 ZINC000638638249 352480097 /nfs/dbraw/zinc/48/00/97/352480097.db2.gz BSRFFITUOMFJRH-UTUOFQBUSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)CCC2C[NH2+]C2)C[NH2+]1 ZINC000638640241 352484168 /nfs/dbraw/zinc/48/41/68/352484168.db2.gz QKGXKCREAUUOJL-MWLCHTKSSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@]2(C)CCC[NH2+]2)C[NH2+]1 ZINC000638642757 352484805 /nfs/dbraw/zinc/48/48/05/352484805.db2.gz JSXPRVDVDHHMRZ-FOGDFJRCSA-N 2 0 225.336 0.385 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638643563 352486175 /nfs/dbraw/zinc/48/61/75/352486175.db2.gz LTPACJAYAQXGPQ-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643909 352486348 /nfs/dbraw/zinc/48/63/48/352486348.db2.gz NEBOGDGGOBIUDU-VLEAKVRGSA-N 2 0 227.352 0.617 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2cnccn2)C1 ZINC000390090827 352486724 /nfs/dbraw/zinc/48/67/24/352486724.db2.gz BRDBPSVJWPWRFF-GHMZBOCLSA-N 2 0 220.320 0.879 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2cnccn2)C1 ZINC000390090830 352486742 /nfs/dbraw/zinc/48/67/42/352486742.db2.gz BRDBPSVJWPWRFF-WDEREUQCSA-N 2 0 220.320 0.879 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@H]([NH3+])c2ccccc2)C[NH2+]1 ZINC000638643087 352486864 /nfs/dbraw/zinc/48/68/64/352486864.db2.gz KNOAMFFCAPQBLT-KGYLQXTDSA-N 2 0 247.342 0.943 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])c2ccccc2)C[NH2+]1 ZINC000638643089 352487061 /nfs/dbraw/zinc/48/70/61/352487061.db2.gz KNOAMFFCAPQBLT-RTXFEEFZSA-N 2 0 247.342 0.943 20 0 BCADRP Cc1ncc(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)[nH]1 ZINC000638644641 352488175 /nfs/dbraw/zinc/48/81/75/352488175.db2.gz QRCVXDGAKQVSBO-IONNQARKSA-N 2 0 222.292 0.588 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[NH2+]1 ZINC000638646342 352489263 /nfs/dbraw/zinc/48/92/63/352489263.db2.gz ZFGOSMLOSUJRNN-FIQHERPVSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@]2(C)CC[NH2+]C2)C[NH2+]1 ZINC000638654179 352496906 /nfs/dbraw/zinc/49/69/06/352496906.db2.gz JYQIDHBJDPXFCS-JFGNBEQYSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638656703 352497573 /nfs/dbraw/zinc/49/75/73/352497573.db2.gz USSHQNQLDXMBOQ-UWVGGRQHSA-N 2 0 213.325 0.243 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)C[NH2+]1 ZINC000638657006 352497967 /nfs/dbraw/zinc/49/79/67/352497967.db2.gz UZJDUTPVDSIRFC-GMTAPVOTSA-N 2 0 225.336 0.385 20 0 BCADRP C[NH2+]CC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638669366 352511666 /nfs/dbraw/zinc/51/16/66/352511666.db2.gz RVNBTBLLOYJMLH-UHFFFAOYSA-N 2 0 235.287 0.327 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000388767061 352555729 /nfs/dbraw/zinc/55/57/29/352555729.db2.gz SZOBYYBGDHKPFJ-FRRDWIJNSA-N 2 0 244.379 0.704 20 0 BCADRP [NH3+]CCOCCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000357106715 187744538 /nfs/dbraw/zinc/74/45/38/187744538.db2.gz QDLUXBGPXLIIRA-CYBMUJFWSA-N 2 0 241.379 0.522 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000040459914 352597877 /nfs/dbraw/zinc/59/78/77/352597877.db2.gz KZDXBBMMIVZOQO-JTQLQIEISA-N 2 0 245.392 0.279 20 0 BCADRP O=C([C@@H]1CCC[NH2+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000040467841 352598564 /nfs/dbraw/zinc/59/85/64/352598564.db2.gz ZOSYSAXPUPXVDY-QWRGUYRKSA-N 2 0 223.320 0.045 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000040807178 352604564 /nfs/dbraw/zinc/60/45/64/352604564.db2.gz JQBLLONYWZTMPB-ZJUUUORDSA-N 2 0 229.368 0.816 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000041680209 352616132 /nfs/dbraw/zinc/61/61/32/352616132.db2.gz OHKVPMLASYLGBD-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000638727247 352585708 /nfs/dbraw/zinc/58/57/08/352585708.db2.gz DXIYGLWZSOITDZ-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514410 352653570 /nfs/dbraw/zinc/65/35/70/352653570.db2.gz MSRJWOZMLCSYIG-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000044526622 352654822 /nfs/dbraw/zinc/65/48/22/352654822.db2.gz QBZDOKCLXYSURH-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1CC[NH2+]C1 ZINC000236699192 187802949 /nfs/dbraw/zinc/80/29/49/187802949.db2.gz PVHVJSAQUQNZMD-CMPLNLGQSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H](C)[NH3+] ZINC000638766380 352703454 /nfs/dbraw/zinc/70/34/54/352703454.db2.gz VESWHXXYGGEGER-UKKRHICBSA-N 2 0 227.352 0.472 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638766524 352704080 /nfs/dbraw/zinc/70/40/80/352704080.db2.gz UDXZYSISWCGBOQ-HBNTYKKESA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000638766447 352705530 /nfs/dbraw/zinc/70/55/30/352705530.db2.gz XMWRKQNMGQMHSC-AXFHLTTASA-N 2 0 239.363 0.631 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638768352 352706099 /nfs/dbraw/zinc/70/60/99/352706099.db2.gz WVLYWYNEQAQBEW-CYZMBNFOSA-N 2 0 247.342 0.861 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638768375 352706239 /nfs/dbraw/zinc/70/62/39/352706239.db2.gz XRASWRKOZRPONX-XWLWVQCSSA-N 2 0 225.336 0.241 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000638767205 352706728 /nfs/dbraw/zinc/70/67/28/352706728.db2.gz ATIFCNLKCQIFOV-WGBDABJCSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000638768205 352709037 /nfs/dbraw/zinc/70/90/37/352709037.db2.gz SPOHMTGVQBYXDK-HBNTYKKESA-N 2 0 237.347 0.243 20 0 BCADRP Cn1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000393632170 352710329 /nfs/dbraw/zinc/71/03/29/352710329.db2.gz MZPQVWOUCGVGRF-TXEJJXNPSA-N 2 0 205.305 0.676 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000638774199 352716184 /nfs/dbraw/zinc/71/61/84/352716184.db2.gz XRYIBOKYHPHIJS-WCFLWFBJSA-N 2 0 247.342 0.596 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(C[NH3+])o1 ZINC000638789025 352747659 /nfs/dbraw/zinc/74/76/59/352747659.db2.gz ZAEQICSRNIVWFI-IONNQARKSA-N 2 0 223.276 0.219 20 0 BCADRP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000334182213 352770714 /nfs/dbraw/zinc/77/07/14/352770714.db2.gz FFIXPPCOEZLUIA-QWRGUYRKSA-N 2 0 225.336 0.291 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000334198312 352790430 /nfs/dbraw/zinc/79/04/30/352790430.db2.gz LMBJPJXPTYNWAK-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)C2CC[NH2+]CC2)[C@H]1C ZINC000334212387 352809990 /nfs/dbraw/zinc/80/99/90/352809990.db2.gz RKZXPTDTDQBUGE-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]1CCN(C(=O)C2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000334264507 352898985 /nfs/dbraw/zinc/89/89/85/352898985.db2.gz LBBAFDSFOKDKTP-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638840203 353016311 /nfs/dbraw/zinc/01/63/11/353016311.db2.gz AJGZYJGBNIQNAH-SNVBAGLBSA-N 2 0 247.342 0.686 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)C2([NH3+])CCC2)C1 ZINC000638841288 353018022 /nfs/dbraw/zinc/01/80/22/353018022.db2.gz USQVPUPJSBDLSN-SNVBAGLBSA-N 2 0 225.336 0.598 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000638853477 353024289 /nfs/dbraw/zinc/02/42/89/353024289.db2.gz HEFSDMWIZZIDAE-PWSUYJOCSA-N 2 0 239.363 0.537 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627071280 363201087 /nfs/dbraw/zinc/20/10/87/363201087.db2.gz FHBBQLAKFHZIRI-VHSXEESVSA-N 2 0 228.340 0.036 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627071279 363201173 /nfs/dbraw/zinc/20/11/73/363201173.db2.gz FHBBQLAKFHZIRI-UWVGGRQHSA-N 2 0 228.340 0.036 20 0 BCADRP CCC1([NH+]2CCCC2)CCN(C(=O)C[NH3+])CC1 ZINC000638862226 353031545 /nfs/dbraw/zinc/03/15/45/353031545.db2.gz ONIBSGATHSIVOR-UHFFFAOYSA-N 2 0 239.363 0.812 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638815068 352995350 /nfs/dbraw/zinc/99/53/50/352995350.db2.gz KZMLFFPVOHSEEC-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CCCCC[C@@H]([NH3+])C2)C1 ZINC000638814608 352995565 /nfs/dbraw/zinc/99/55/65/352995565.db2.gz FRLVYEQSOXGWTL-GMTAPVOTSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638820112 353000580 /nfs/dbraw/zinc/00/05/80/353000580.db2.gz QNJGMTAXGCZBKR-NXEZZACHSA-N 2 0 213.325 0.311 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000638821776 353002777 /nfs/dbraw/zinc/00/27/77/353002777.db2.gz AJRNLYPVBGCHTK-LLVKDONJSA-N 2 0 239.363 0.988 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000638822973 353004181 /nfs/dbraw/zinc/00/41/81/353004181.db2.gz NAADJNIKKGUHIU-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627071278 363200770 /nfs/dbraw/zinc/20/07/70/363200770.db2.gz FHBBQLAKFHZIRI-NXEZZACHSA-N 2 0 228.340 0.036 20 0 BCADRP [NH3+]C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccccc1 ZINC000638909341 353066350 /nfs/dbraw/zinc/06/63/50/353066350.db2.gz FKLZPWMWNFTNPV-AVGNSLFASA-N 2 0 245.326 0.302 20 0 BCADRP [NH3+]C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccccc1 ZINC000638909342 353066441 /nfs/dbraw/zinc/06/64/41/353066441.db2.gz FKLZPWMWNFTNPV-RWMBFGLXSA-N 2 0 245.326 0.302 20 0 BCADRP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638909421 353066472 /nfs/dbraw/zinc/06/64/72/353066472.db2.gz HETPAYYNTKRQPB-VLJOUNFMSA-N 2 0 249.358 0.480 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638873808 353043657 /nfs/dbraw/zinc/04/36/57/353043657.db2.gz LSUYVDVFBDAWEQ-STQMWFEESA-N 2 0 249.358 0.800 20 0 BCADRP C[C@H]([NH3+])C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638873865 353043663 /nfs/dbraw/zinc/04/36/63/353043663.db2.gz MOBBONCDAAUUBS-CMPLNLGQSA-N 2 0 235.331 0.410 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638873867 353043731 /nfs/dbraw/zinc/04/37/31/353043731.db2.gz MOBBONCDAAUUBS-PWSUYJOCSA-N 2 0 235.331 0.410 20 0 BCADRP C[C@H]([NH3+])C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638873866 353043934 /nfs/dbraw/zinc/04/39/34/353043934.db2.gz MOBBONCDAAUUBS-JQWIXIFHSA-N 2 0 235.331 0.410 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638882723 353048778 /nfs/dbraw/zinc/04/87/78/353048778.db2.gz ZVDZPCDYFAGHPE-AAEUAGOBSA-N 2 0 249.358 0.658 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)C[C@H]1C[NH3+] ZINC000638884055 353051303 /nfs/dbraw/zinc/05/13/03/353051303.db2.gz FBCKLJIQEYNLOJ-GMTAPVOTSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000638937690 353111565 /nfs/dbraw/zinc/11/15/65/353111565.db2.gz UOVXKWWZSAXYNC-ZANVPECISA-N 2 0 245.326 0.852 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919987 353078909 /nfs/dbraw/zinc/07/89/09/353078909.db2.gz XCCUWRRMCCLUEP-MMWGEVLESA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CCC[NH2+]CC1 ZINC000638928490 353084414 /nfs/dbraw/zinc/08/44/14/353084414.db2.gz KHLNREBVZKQYFR-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925429 353086263 /nfs/dbraw/zinc/08/62/63/353086263.db2.gz PSVKQYHLPMSWEU-MXWKQRLJSA-N 2 0 225.336 0.337 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926164 353086838 /nfs/dbraw/zinc/08/68/38/353086838.db2.gz WDNJJNPEPPULPC-DTORHVGOSA-N 2 0 232.287 0.071 20 0 BCADRP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000638926668 353087277 /nfs/dbraw/zinc/08/72/77/353087277.db2.gz KEJRXUWZZWVSQC-OUAUKWLOSA-N 2 0 225.336 0.289 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CC1(C[NH3+])CC1 ZINC000638927950 353087922 /nfs/dbraw/zinc/08/79/22/353087922.db2.gz CRGWQMKJMJADON-BDAKNGLRSA-N 2 0 211.309 0.064 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638929845 353090357 /nfs/dbraw/zinc/09/03/57/353090357.db2.gz IDTQADQQRNSJMX-DTWKUNHWSA-N 2 0 237.303 0.608 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000638931453 353092453 /nfs/dbraw/zinc/09/24/53/353092453.db2.gz LZORLPXTNMHKDR-ONGXEEELSA-N 2 0 244.298 0.896 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638928505 353098159 /nfs/dbraw/zinc/09/81/59/353098159.db2.gz AGHUKFPTLGUBKZ-SDDRHHMPSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000638929101 353098605 /nfs/dbraw/zinc/09/86/05/353098605.db2.gz NQPYCKCNBDYROQ-CHWFTXMASA-N 2 0 225.336 0.275 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C1(C[NH+](C)C)CC1 ZINC000638928946 353098890 /nfs/dbraw/zinc/09/88/90/353098890.db2.gz CYSZVELIVQUUMW-VHSXEESVSA-N 2 0 225.336 0.276 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638943093 353141382 /nfs/dbraw/zinc/14/13/82/353141382.db2.gz ODQHMJHAWQWHPM-DCAQKATOSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000353128280 188060945 /nfs/dbraw/zinc/06/09/45/188060945.db2.gz KPIPGYZWSJJUDI-WOPDTQHZSA-N 2 0 239.363 0.474 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357290351 188065767 /nfs/dbraw/zinc/06/57/67/188065767.db2.gz CYHHZVUAWQSTNL-NOOOWODRSA-N 2 0 241.379 0.720 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000357081445 188065931 /nfs/dbraw/zinc/06/59/31/188065931.db2.gz GWHNSGZFPYLPKB-VXGBXAGGSA-N 2 0 228.336 0.463 20 0 BCADRP [NH3+]CCOCCN1CC[NH2+]CC12CCCCC2 ZINC000357080923 188065943 /nfs/dbraw/zinc/06/59/43/188065943.db2.gz GDHOSDYUCBDQHC-UHFFFAOYSA-N 2 0 241.379 0.570 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373052894 188075172 /nfs/dbraw/zinc/07/51/72/188075172.db2.gz DGAICUFEZGBEQA-HBNTYKKESA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638947988 353152035 /nfs/dbraw/zinc/15/20/35/353152035.db2.gz XZRBOHLGNKQWML-DBIOUOCHSA-N 2 0 225.336 0.452 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000377806209 188079117 /nfs/dbraw/zinc/07/91/17/188079117.db2.gz CIIHRSYCWNRMKN-UWVGGRQHSA-N 2 0 227.352 0.474 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCOC1(C)C ZINC000336908260 188084129 /nfs/dbraw/zinc/08/41/29/188084129.db2.gz ZYGYCZGEQPFVRE-LLVKDONJSA-N 2 0 230.352 0.722 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])C(C)C ZINC000336710137 188084342 /nfs/dbraw/zinc/08/43/42/188084342.db2.gz SZGLCKPMSBJFPQ-IUCAKERBSA-N 2 0 201.314 0.069 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000044806561 188084781 /nfs/dbraw/zinc/08/47/81/188084781.db2.gz NVCBWYARHVFBFN-QWRGUYRKSA-N 2 0 229.368 0.674 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@H]1CCn2ccnc21 ZINC000345358269 188084859 /nfs/dbraw/zinc/08/48/59/188084859.db2.gz WQYTYFDEWQEGLI-NSHDSACASA-N 2 0 238.335 0.496 20 0 BCADRP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000125661706 353179944 /nfs/dbraw/zinc/17/99/44/353179944.db2.gz YQLQXKUOZMYIID-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](C)O)CC1 ZINC000035112472 188111259 /nfs/dbraw/zinc/11/12/59/188111259.db2.gz LYFUTPXOJCXXLY-SNVBAGLBSA-N 2 0 200.326 0.830 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000246291015 188154818 /nfs/dbraw/zinc/15/48/18/188154818.db2.gz NFQDIYRTZKPSDR-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)N(C)C(=O)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227075183 188155697 /nfs/dbraw/zinc/15/56/97/188155697.db2.gz TWPCYKZDCVBWOP-WDEREUQCSA-N 2 0 227.352 0.522 20 0 BCADRP CC(C)[NH+](CCNC(=O)C[C@H](C)[NH3+])C(C)C ZINC000037475705 188161319 /nfs/dbraw/zinc/16/13/19/188161319.db2.gz KLAUBUUONXIDJK-NSHDSACASA-N 2 0 229.368 0.959 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[NH2+]CC1CC1 ZINC000336651369 188163299 /nfs/dbraw/zinc/16/32/99/188163299.db2.gz FDWZNMNQABZTTN-SNVBAGLBSA-N 2 0 213.325 0.086 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000309252478 188167474 /nfs/dbraw/zinc/16/74/74/188167474.db2.gz FJSZASAGEGUWSQ-GXSJLCMTSA-N 2 0 213.325 0.167 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000309248615 188167605 /nfs/dbraw/zinc/16/76/05/188167605.db2.gz DDWXWPRDGBSVKS-RKDXNWHRSA-N 2 0 213.325 0.357 20 0 BCADRP CC(=O)NCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000309792112 188169409 /nfs/dbraw/zinc/16/94/09/188169409.db2.gz PKEMBASMOAHNAM-ZYHUDNBSSA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH3+] ZINC000236647828 188148528 /nfs/dbraw/zinc/14/85/28/188148528.db2.gz CRIJTGTZLGDVOB-SECBINFHSA-N 2 0 201.314 0.132 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000157274027 535212691 /nfs/dbraw/zinc/21/26/91/535212691.db2.gz VXSRHWAEVHNBIY-UWVGGRQHSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@]1(C(=O)NC[C@@H]2CCCC[NH2+]2)CCC[NH2+]1 ZINC000134366745 538111999 /nfs/dbraw/zinc/11/19/99/538111999.db2.gz ICLQLPSZBUUXAR-WCQYABFASA-N 2 0 239.363 0.777 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC1(C[NH3+])CCCCC1 ZINC000639001953 353250123 /nfs/dbraw/zinc/25/01/23/353250123.db2.gz SJBZXMYNKGPDHV-SECBINFHSA-N 2 0 213.325 0.502 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000334634611 188178797 /nfs/dbraw/zinc/17/87/97/188178797.db2.gz VHKCNVPXOZBDHT-NWDGAFQWSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC1(C[NH3+])CCCCC1 ZINC000638996908 353242388 /nfs/dbraw/zinc/24/23/88/353242388.db2.gz PYZYEXIVHHRRPS-VIFPVBQESA-N 2 0 213.325 0.359 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NC1(C[NH3+])CCCCC1 ZINC000638996968 353242610 /nfs/dbraw/zinc/24/26/10/353242610.db2.gz SFYWVSHAFKWXAY-NXEZZACHSA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000236754053 188190897 /nfs/dbraw/zinc/19/08/97/188190897.db2.gz TZZZLZVLXSYHGL-QWRGUYRKSA-N 2 0 227.352 0.426 20 0 BCADRP [NH3+]CC1(NC(=O)C2=CC[C@@H]([NH3+])C2)CCCCC1 ZINC000638997495 353243983 /nfs/dbraw/zinc/24/39/83/353243983.db2.gz JJZILVSPZWNZGA-LLVKDONJSA-N 2 0 237.347 0.812 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC1(C[NH3+])CCCCC1 ZINC000639000716 353244498 /nfs/dbraw/zinc/24/44/98/353244498.db2.gz ATYJDKOWAYDUHT-VIFPVBQESA-N 2 0 213.325 0.502 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000639019477 353275993 /nfs/dbraw/zinc/27/59/93/353275993.db2.gz AZVIYNUVOGSASP-NNYUYHANSA-N 2 0 237.347 0.324 20 0 BCADRP C(C[NH+]1C[C@H]2CCC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000126244652 188219909 /nfs/dbraw/zinc/21/99/09/188219909.db2.gz NSJYSEDZGYWVLW-CHWSQXEVSA-N 2 0 223.364 0.624 20 0 BCADRP CC(C)C[C@H](CNC(=O)[C@@H](C)C[NH3+])[NH+](C)C ZINC000054343995 188221752 /nfs/dbraw/zinc/22/17/52/188221752.db2.gz GZNWZQOXDBWPGW-WDEREUQCSA-N 2 0 229.368 0.674 20 0 BCADRP O=C([C@H]1CCC[NH2+]1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639026357 353278388 /nfs/dbraw/zinc/27/83/88/353278388.db2.gz DSFFKAKARBQOJP-IJLUTSLNSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000577858872 366086798 /nfs/dbraw/zinc/08/67/98/366086798.db2.gz AZNBIYRNKHBREZ-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000250234545 353269767 /nfs/dbraw/zinc/26/97/67/353269767.db2.gz HBXIQPSTUIZWQX-MXWKQRLJSA-N 2 0 225.336 0.419 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000639025501 353284462 /nfs/dbraw/zinc/28/44/62/353284462.db2.gz YMIXMMRHYCKOTL-CMPLNLGQSA-N 2 0 247.342 0.888 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639027707 353291127 /nfs/dbraw/zinc/29/11/27/353291127.db2.gz PTGILKWJYLXJND-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H]([NH3+])C1CC1)[NH+](C)C ZINC000137322904 188224460 /nfs/dbraw/zinc/22/44/60/188224460.db2.gz QZKWBWZCAAFRNR-GHMZBOCLSA-N 2 0 227.352 0.426 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639030502 353297917 /nfs/dbraw/zinc/29/79/17/353297917.db2.gz GBIFPLHHKPLNHI-GWOFURMSSA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)C[NH2+]C2CC2)CC1 ZINC000639030996 353298377 /nfs/dbraw/zinc/29/83/77/353298377.db2.gz NFODYUXBKJLKIN-CZMCAQCFSA-N 2 0 211.309 0.125 20 0 BCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1([NH3+])CC1 ZINC000165319194 353298692 /nfs/dbraw/zinc/29/86/92/353298692.db2.gz DOONSTRLXOKLLF-SNVBAGLBSA-N 2 0 225.336 0.278 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000639031962 353301488 /nfs/dbraw/zinc/30/14/88/353301488.db2.gz JMQVVGKPGUMSQK-KKOKHZNYSA-N 2 0 239.363 0.761 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000639031858 353301517 /nfs/dbraw/zinc/30/15/17/353301517.db2.gz YFWSYMKTVBYFMX-PRULPYPASA-N 2 0 237.347 0.372 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)[NH+](C)C ZINC000252651519 353303777 /nfs/dbraw/zinc/30/37/77/353303777.db2.gz QECSGCRPSMSQJA-DCAQKATOSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000627075875 363215328 /nfs/dbraw/zinc/21/53/28/363215328.db2.gz PJYYPSXKHFHRMO-GMTAPVOTSA-N 2 0 240.351 0.178 20 0 BCADRP [NH3+]C[C@H]1CN(CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000563713850 353358213 /nfs/dbraw/zinc/35/82/13/353358213.db2.gz MXKFWNPVZOLCPV-NEPJUHHUSA-N 2 0 227.352 0.036 20 0 BCADRP CN1CC[C@](O)(C[NH2+]CC2CCSCC2)C1 ZINC000639049401 353343224 /nfs/dbraw/zinc/34/32/24/353343224.db2.gz QDVYKBZMAJNVSE-LBPRGKRZSA-N 2 0 244.404 0.786 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)[C@H](C)[NH3+] ZINC000165431101 353348298 /nfs/dbraw/zinc/34/82/98/353348298.db2.gz LLOUMQKGFNBOFO-OUAUKWLOSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCC1C[NH2+]C1 ZINC000334503496 353350610 /nfs/dbraw/zinc/35/06/10/353350610.db2.gz NNTIDAUPWWHBAA-PWSUYJOCSA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627077254 363218888 /nfs/dbraw/zinc/21/88/88/363218888.db2.gz YHWQRATXXWJATN-MXWKQRLJSA-N 2 0 242.367 0.409 20 0 BCADRP Cc1nccn1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085283541 538116266 /nfs/dbraw/zinc/11/62/66/538116266.db2.gz OMZCAHSLJCBIRJ-VXGBXAGGSA-N 2 0 220.320 0.343 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)NCC(C)(C)[NH3+])C[NH2+]1 ZINC000627077870 363220452 /nfs/dbraw/zinc/22/04/52/363220452.db2.gz CWRCNBPNPYCFJX-DTWKUNHWSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H](CO)O1 ZINC000230072788 353419355 /nfs/dbraw/zinc/41/93/55/353419355.db2.gz KOTFVZWGFHQFIP-PWSUYJOCSA-N 2 0 228.336 0.068 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)N[C@@H](C[NH3+])C2CC2)C[NH2+]1 ZINC000627079220 363223814 /nfs/dbraw/zinc/22/38/14/363223814.db2.gz UVWGKXSQDUGJHN-MIMYLULJSA-N 2 0 240.351 0.163 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000167357584 133968817 /nfs/dbraw/zinc/96/88/17/133968817.db2.gz HKGCMKLNQLKFGC-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000572481082 324121834 /nfs/dbraw/zinc/12/18/34/324121834.db2.gz OTVQLBQILOKHLS-GARJFASQSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000165688019 353453605 /nfs/dbraw/zinc/45/36/05/353453605.db2.gz CBQHFVYONRBHMQ-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627080809 363226185 /nfs/dbraw/zinc/22/61/85/363226185.db2.gz HITUKXZMXOVVKL-QWRGUYRKSA-N 2 0 242.367 0.426 20 0 BCADRP CC1(C)SC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000393825884 353455419 /nfs/dbraw/zinc/45/54/19/353455419.db2.gz GORFEOAETCZZSO-GHMZBOCLSA-N 2 0 244.404 0.927 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000167450004 133973274 /nfs/dbraw/zinc/97/32/74/133973274.db2.gz UBJAMWBSDOZDFD-ZJUUUORDSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627082649 363233821 /nfs/dbraw/zinc/23/38/21/363233821.db2.gz METIJBNVKFWDPY-ZJUUUORDSA-N 2 0 240.351 0.308 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)CC[NH3+] ZINC000627083913 363233849 /nfs/dbraw/zinc/23/38/49/363233849.db2.gz XVBDUSWBTFKWMV-LPEHRKFASA-N 2 0 228.340 0.163 20 0 BCADRP CC(C)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178451 353579755 /nfs/dbraw/zinc/57/97/55/353579755.db2.gz UQJVOLQASMALMQ-NSHDSACASA-N 2 0 227.352 0.429 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000193300689 353589786 /nfs/dbraw/zinc/58/97/86/353589786.db2.gz JZAVKZAMWUQQRZ-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)CC[C@@H](C)[NH3+] ZINC000193309249 353590064 /nfs/dbraw/zinc/59/00/64/353590064.db2.gz QKINOFYTZWYNRU-MNOVXSKESA-N 2 0 229.368 0.960 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000062112411 353550837 /nfs/dbraw/zinc/55/08/37/353550837.db2.gz QFFWTMABOORHKT-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062115322 353551542 /nfs/dbraw/zinc/55/15/42/353551542.db2.gz LVFSJNWEQQVTLY-GFCCVEGCSA-N 2 0 241.379 0.642 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000577867654 366091386 /nfs/dbraw/zinc/09/13/86/366091386.db2.gz RUNOJDFJHGCRCB-HBNTYKKESA-N 2 0 242.367 0.554 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C2([NH3+])CCC2)C1 ZINC000577866482 366091553 /nfs/dbraw/zinc/09/15/53/366091553.db2.gz RDZHNTOOVZWRKO-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP C[NH2+]CCC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000577872631 366093791 /nfs/dbraw/zinc/09/37/91/366093791.db2.gz VAOSSNAOUJAIBH-JTQLQIEISA-N 2 0 248.330 0.446 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc(C[NH3+])c1 ZINC000231720213 353646978 /nfs/dbraw/zinc/64/69/78/353646978.db2.gz ZCFPKCVYKDOSDH-GFCCVEGCSA-N 2 0 248.330 0.364 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)CC(F)(F)CN ZINC000577883106 366095753 /nfs/dbraw/zinc/09/57/53/366095753.db2.gz MIRGHHMOMOFQNW-RNFRBKRXSA-N 2 0 223.267 0.213 20 0 BCADRP CC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+]2C)CCC[NH2+]1 ZINC000231786580 353655154 /nfs/dbraw/zinc/65/51/54/353655154.db2.gz DOHPQRTUZYBHEC-WCQYABFASA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000083835296 353703117 /nfs/dbraw/zinc/70/31/17/353703117.db2.gz WGISDMCTKVQNQF-JTQLQIEISA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000627096240 363253284 /nfs/dbraw/zinc/25/32/84/363253284.db2.gz SWIFHCUXDYBTIH-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000627096242 363253337 /nfs/dbraw/zinc/25/33/37/363253337.db2.gz SWIFHCUXDYBTIH-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H](C)CCC[NH3+] ZINC000627096255 363253544 /nfs/dbraw/zinc/25/35/44/363253544.db2.gz UAWLYIBNFZJRLH-VIFPVBQESA-N 2 0 216.329 0.104 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000232795746 353763228 /nfs/dbraw/zinc/76/32/28/353763228.db2.gz UTRLEBAQBFEJCX-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627097546 363258666 /nfs/dbraw/zinc/25/86/66/363258666.db2.gz JRUCSVNRTSJQQG-VHSXEESVSA-N 2 0 240.351 0.308 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000178285192 366111800 /nfs/dbraw/zinc/11/18/00/366111800.db2.gz YDVVWAIJTLCOGI-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP O=C(NCCC[C@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C1 ZINC000627101881 363261806 /nfs/dbraw/zinc/26/18/06/363261806.db2.gz YGVHXMNQJJAANY-GHMZBOCLSA-N 2 0 240.351 0.180 20 0 BCADRP CC(C)[NH2+]CCC(=O)N(C)C1CC([NH3+])C1 ZINC000577942353 366116654 /nfs/dbraw/zinc/11/66/54/366116654.db2.gz VMELEVAGNXKFGI-UHFFFAOYSA-N 2 0 213.325 0.323 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000343418293 353879996 /nfs/dbraw/zinc/87/99/96/353879996.db2.gz LCFJXCFTWDBOEQ-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000343437017 353886087 /nfs/dbraw/zinc/88/60/87/353886087.db2.gz MZCVDMQWJTUQIA-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000343442082 353889166 /nfs/dbraw/zinc/88/91/66/353889166.db2.gz RMBWKUFHDRSXQH-AXFHLTTASA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC[C@@H]1CCC[NH2+]1 ZINC000343481408 353904744 /nfs/dbraw/zinc/90/47/44/353904744.db2.gz SHYAQUHWOJKWNN-SDDRHHMPSA-N 2 0 239.363 0.633 20 0 BCADRP CCN(CC[NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000627113181 363274853 /nfs/dbraw/zinc/27/48/53/363274853.db2.gz UHGODENYPHSNQZ-UHFFFAOYSA-N 2 0 228.340 0.248 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000343587736 353940976 /nfs/dbraw/zinc/94/09/76/353940976.db2.gz DQTONIZYRCUWTG-OPRDCNLKSA-N 2 0 243.376 0.030 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1c[nH+]ccc1N ZINC000343660116 353943079 /nfs/dbraw/zinc/94/30/79/353943079.db2.gz LNYVFDJWKLXHCD-APPZFPTMSA-N 2 0 220.276 0.056 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1c[nH+]ccc1N ZINC000343660126 353943121 /nfs/dbraw/zinc/94/31/21/353943121.db2.gz LNYVFDJWKLXHCD-VXNVDRBHSA-N 2 0 220.276 0.056 20 0 BCADRP CO[C@H]1CC[NH+](CCC[N@H+]2CC[C@H](OC)C2)C1 ZINC000343746572 353970845 /nfs/dbraw/zinc/97/08/45/353970845.db2.gz TUMXYZSLVHMPOV-STQMWFEESA-N 2 0 242.363 0.818 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000366844083 353983792 /nfs/dbraw/zinc/98/37/92/353983792.db2.gz MRWCWPGFTVPIMW-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC1CCC(C[NH3+])CC1 ZINC000343644097 353952069 /nfs/dbraw/zinc/95/20/69/353952069.db2.gz QJFZSACOUCTGJX-VQXHTEKXSA-N 2 0 227.352 0.605 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000343646153 353952486 /nfs/dbraw/zinc/95/24/86/353952486.db2.gz SCIUVDGHASBNMD-VPOLOUISSA-N 2 0 225.336 0.452 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000343646122 353953006 /nfs/dbraw/zinc/95/30/06/353953006.db2.gz SCIUVDGHASBNMD-CHWFTXMASA-N 2 0 225.336 0.452 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC000623176376 354011238 /nfs/dbraw/zinc/01/12/38/354011238.db2.gz XTMSAFMCPDXKSU-SECBINFHSA-N 2 0 236.319 0.299 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627120408 363287502 /nfs/dbraw/zinc/28/75/02/363287502.db2.gz QEWQPUKPYWJCFU-ZJUUUORDSA-N 2 0 240.351 0.178 20 0 BCADRP CO[C@@H](C)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344024447 354085808 /nfs/dbraw/zinc/08/58/08/354085808.db2.gz IKYPSYFGQFTQKY-ZDUSSCGKSA-N 2 0 245.411 0.837 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000353202864 188567561 /nfs/dbraw/zinc/56/75/61/188567561.db2.gz YBFQXGAOVUILBG-AXFHLTTASA-N 2 0 225.336 0.099 20 0 BCADRP C[C@@H]1C[C@H](C(=O)NCC[NH+](C)C)CC[N@@H+]1C ZINC000344182374 354176335 /nfs/dbraw/zinc/17/63/35/354176335.db2.gz HKZXGRTXHIPVSQ-GHMZBOCLSA-N 2 0 227.352 0.395 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NC1CC[NH+](CC)CC1 ZINC000038098301 358484642 /nfs/dbraw/zinc/48/46/42/358484642.db2.gz SLVXPPQGIUUFKG-NSHDSACASA-N 2 0 227.352 0.714 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000449688900 202002115 /nfs/dbraw/zinc/00/21/15/202002115.db2.gz WTPDARDOMVWPTM-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000449703896 202004237 /nfs/dbraw/zinc/00/42/37/202004237.db2.gz HAWJAXYEZUAEJN-GHMZBOCLSA-N 2 0 241.379 0.879 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000449703899 202005207 /nfs/dbraw/zinc/00/52/07/202005207.db2.gz HAWJAXYEZUAEJN-WDEREUQCSA-N 2 0 241.379 0.879 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000449706264 202006409 /nfs/dbraw/zinc/00/64/09/202006409.db2.gz MVEYZWXBUMYYEC-QWRGUYRKSA-N 2 0 241.379 0.722 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000449727544 202009550 /nfs/dbraw/zinc/00/95/50/202009550.db2.gz QMUWSLBUSWBUBM-NQBHXWOUSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449734386 202010600 /nfs/dbraw/zinc/01/06/00/202010600.db2.gz MYWHLJGAPAHWGR-QJPTWQEYSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449734028 202010650 /nfs/dbraw/zinc/01/06/50/202010650.db2.gz LLDDLWVRYJKTPK-JBLDHEPKSA-N 2 0 237.347 0.337 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449745444 202018613 /nfs/dbraw/zinc/01/86/13/202018613.db2.gz BZAUNNKISCRQBK-AXFHLTTASA-N 2 0 225.336 0.195 20 0 BCADRP [NH3+][C@@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000334588780 354216310 /nfs/dbraw/zinc/21/63/10/354216310.db2.gz XKCRJJJICXLCLX-VXGBXAGGSA-N 2 0 211.353 0.799 20 0 BCADRP O=C([C@H]1CCC[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000334590024 354219704 /nfs/dbraw/zinc/21/97/04/354219704.db2.gz JNYHYQPTXLGJEM-WCQYABFASA-N 2 0 237.347 0.198 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000627135348 363353814 /nfs/dbraw/zinc/35/38/14/363353814.db2.gz QZCIMYFBJQDNMF-NXEZZACHSA-N 2 0 228.340 0.069 20 0 BCADRP [NH3+]CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000334593747 354224900 /nfs/dbraw/zinc/22/49/00/354224900.db2.gz AFUFRSQOBVVWTK-IXBNRNDTSA-N 2 0 225.336 0.215 20 0 BCADRP Cc1nccn1CC[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000334680925 354427146 /nfs/dbraw/zinc/42/71/46/354427146.db2.gz JPNATWCRSOIEJZ-JTQLQIEISA-N 2 0 236.319 0.402 20 0 BCADRP COC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000578064711 366211609 /nfs/dbraw/zinc/21/16/09/366211609.db2.gz QBZHZFXVOSRSFW-NEPJUHHUSA-N 2 0 230.352 0.315 20 0 BCADRP Cn1nccc1CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000393889937 354597313 /nfs/dbraw/zinc/59/73/13/354597313.db2.gz ZJRFOPVUHVIRCN-ZDUSSCGKSA-N 2 0 234.347 0.648 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000335093872 354631615 /nfs/dbraw/zinc/63/16/15/354631615.db2.gz KCBKJHTVQZJSOA-GFCCVEGCSA-N 2 0 239.363 0.845 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000345326338 354611819 /nfs/dbraw/zinc/61/18/19/354611819.db2.gz SQAHYCFZXKIIOM-IJLUTSLNSA-N 2 0 241.379 0.926 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000345690168 354732674 /nfs/dbraw/zinc/73/26/74/354732674.db2.gz KEKQNYGRWTYHNR-AAEUAGOBSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[NH2+]CC1 ZINC000627158739 363398355 /nfs/dbraw/zinc/39/83/55/363398355.db2.gz COTSXQJOAPNMGM-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP Cc1ccc(CCC[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000345999676 354836361 /nfs/dbraw/zinc/83/63/61/354836361.db2.gz WQNUBHKZXZWDRG-KGLIPLIRSA-N 2 0 249.358 0.493 20 0 BCADRP C[NH2+]CCC[NH+]1CCC([C@H](C)O)CC1 ZINC000234391955 363421048 /nfs/dbraw/zinc/42/10/48/363421048.db2.gz CQYUUYPNDZNQGA-JTQLQIEISA-N 2 0 200.326 0.689 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000336101547 491068090 /nfs/dbraw/zinc/06/80/90/491068090.db2.gz ZRHGUPUKLMOHKQ-TXEJJXNPSA-N 2 0 239.363 0.347 20 0 BCADRP CC[N@H+](C)CCNC(=O)C(C)(C)C[NH3+] ZINC000054128926 491069140 /nfs/dbraw/zinc/06/91/40/491069140.db2.gz PRWBUCIFROSIJK-UHFFFAOYSA-N 2 0 201.314 0.039 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000366942949 354908546 /nfs/dbraw/zinc/90/85/46/354908546.db2.gz JATZXUCZEAFUHR-GUBZILKMSA-N 2 0 231.315 0.272 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000366943149 354951157 /nfs/dbraw/zinc/95/11/57/354951157.db2.gz JYQRGZUGABKFHY-AXFHLTTASA-N 2 0 243.326 0.287 20 0 BCADRP Cc1cnc(CN2C[C@@H](C[NH3+])C[C@H]2C)cn1 ZINC000346686313 355012775 /nfs/dbraw/zinc/01/27/75/355012775.db2.gz UAOVNTWDFWGCSL-GHMZBOCLSA-N 2 0 220.320 0.954 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]1)C12CCC[NH+]1CCC2 ZINC000335222147 355062732 /nfs/dbraw/zinc/06/27/32/355062732.db2.gz XIHUBDQWSZJICS-LLVKDONJSA-N 2 0 237.347 0.483 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[NH2+]C(C)(C)C1)[C@@H](C)[NH3+] ZINC000335231289 355091790 /nfs/dbraw/zinc/09/17/90/355091790.db2.gz JBPAPPIPYILXPV-GHMZBOCLSA-N 2 0 241.379 0.816 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346830203 355128717 /nfs/dbraw/zinc/12/87/17/355128717.db2.gz KEFQTFQGADACJW-GHMZBOCLSA-N 2 0 226.320 0.481 20 0 BCADRP Cc1n[nH]cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346832639 355129381 /nfs/dbraw/zinc/12/93/81/355129381.db2.gz RHZFAQMLXIOKQL-DLOVCJGASA-N 2 0 220.320 0.887 20 0 BCADRP CCOCC[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000346830828 355129754 /nfs/dbraw/zinc/12/97/54/355129754.db2.gz PFKVZIOKUCOZHL-UHFFFAOYSA-N 2 0 229.368 0.378 20 0 BCADRP COCCOC[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000346970820 355207521 /nfs/dbraw/zinc/20/75/21/355207521.db2.gz GGGUXUVCPDONRD-LLVKDONJSA-N 2 0 230.352 0.709 20 0 BCADRP NC(=O)C[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000347002293 355199598 /nfs/dbraw/zinc/19/95/98/355199598.db2.gz ITEJVSYYUJIXGT-NEPJUHHUSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@@H]1CN(Cc2cnc(N(C)C)nc2)CC[C@@H]1[NH3+] ZINC000347003706 355200934 /nfs/dbraw/zinc/20/09/34/355200934.db2.gz LRDPTQROINLHLB-PWSUYJOCSA-N 2 0 249.362 0.712 20 0 BCADRP CC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](CC)C1 ZINC000413180651 191361097 /nfs/dbraw/zinc/36/10/97/191361097.db2.gz DNFKJHUEDUPDMU-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000347630139 355241141 /nfs/dbraw/zinc/24/11/41/355241141.db2.gz OVEPDLRWEJJSSW-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000335280497 355244481 /nfs/dbraw/zinc/24/44/81/355244481.db2.gz MPBPOTPBFUHROK-ZJUUUORDSA-N 2 0 205.261 0.431 20 0 BCADRP COCCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113512946 355249098 /nfs/dbraw/zinc/24/90/98/355249098.db2.gz SSUWUFVAHQXIMD-NSHDSACASA-N 2 0 200.326 0.906 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1([NH3+])CCCC1 ZINC000335290621 355264396 /nfs/dbraw/zinc/26/43/96/355264396.db2.gz KUWNCVJGSOHZTO-NXEZZACHSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000422845932 192485512 /nfs/dbraw/zinc/48/55/12/192485512.db2.gz DFBBIMVPRWVNFD-AXFHLTTASA-N 2 0 229.368 0.705 20 0 BCADRP CC[C@@H](C(=O)N1CCC[C@H]1C[NH+](C)C)[NH+](C)C ZINC000413344913 191373478 /nfs/dbraw/zinc/37/34/78/191373478.db2.gz XEKOHBNCLKVFOR-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000623226457 355290998 /nfs/dbraw/zinc/29/09/98/355290998.db2.gz BCDHLSGRHTZHJI-QWRGUYRKSA-N 2 0 225.336 0.291 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000583502551 355331663 /nfs/dbraw/zinc/33/16/63/355331663.db2.gz UXETWNLHXNSOAJ-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000166352638 355387296 /nfs/dbraw/zinc/38/72/96/355387296.db2.gz BGRRBABUWNUUHP-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH3+])C1 ZINC000166352866 355387568 /nfs/dbraw/zinc/38/75/68/355387568.db2.gz HYAFWPUHZFKSDY-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CCOCCO)[C@H](C)C1 ZINC000166457992 355502003 /nfs/dbraw/zinc/50/20/03/355502003.db2.gz ZWTYIDXJACTUMZ-NEPJUHHUSA-N 2 0 230.352 0.315 20 0 BCADRP C[C@@H]1CN([C@H]2CCC[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000415049599 191652993 /nfs/dbraw/zinc/65/29/93/191652993.db2.gz DPXQJSZJUMFLOA-GRYCIOLGSA-N 2 0 211.353 0.655 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000335829772 355555303 /nfs/dbraw/zinc/55/53/03/355555303.db2.gz YBYMKCJSSUEWAP-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000582180803 355644276 /nfs/dbraw/zinc/64/42/76/355644276.db2.gz RACKTQMJKDEIEB-FXQIFTODSA-N 2 0 235.278 0.083 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000336005284 134049139 /nfs/dbraw/zinc/04/91/39/134049139.db2.gz NFTGNPLVSHYGKK-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000417317091 191787485 /nfs/dbraw/zinc/78/74/85/191787485.db2.gz HLRXGDDYPARNOB-VHSXEESVSA-N 2 0 230.356 0.363 20 0 BCADRP CC[NH+](CC)CCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000416785376 191758428 /nfs/dbraw/zinc/75/84/28/191758428.db2.gz AZPDGDMZMQANTD-UWVGGRQHSA-N 2 0 230.356 0.363 20 0 BCADRP CC[NH+](CC)CCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000416787499 191758548 /nfs/dbraw/zinc/75/85/48/191758548.db2.gz GBYZXCVOZHIINP-LLVKDONJSA-N 2 0 244.383 0.611 20 0 BCADRP CC[NH+](CC)CCCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000416810160 191764808 /nfs/dbraw/zinc/76/48/08/191764808.db2.gz IYGBGQUXCWROCQ-LLVKDONJSA-N 2 0 242.367 0.461 20 0 BCADRP CC[NH+](CC)CCCNC(=O)NCC[C@H](C)[NH3+] ZINC000416817321 191765104 /nfs/dbraw/zinc/76/51/04/191765104.db2.gz PIWUNYKVVVEHRO-NSHDSACASA-N 2 0 244.383 0.755 20 0 BCADRP C[C@H](O)C1([NH2+][C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000639329214 355741985 /nfs/dbraw/zinc/74/19/85/355741985.db2.gz VSYMSKNIDSWPMF-VWYCJHECSA-N 2 0 212.337 0.972 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417323375 191793631 /nfs/dbraw/zinc/79/36/31/191793631.db2.gz XZNXERCJNFXDMM-ONGXEEELSA-N 2 0 242.367 0.363 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]([NH3+])C1CCC1 ZINC000399089189 355836933 /nfs/dbraw/zinc/83/69/33/355836933.db2.gz SNUUCNKEJQXFNK-CMPLNLGQSA-N 2 0 241.379 0.960 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000336028959 134058033 /nfs/dbraw/zinc/05/80/33/134058033.db2.gz BKVYPCPCHMLVPT-OLZOCXBDSA-N 2 0 223.364 0.671 20 0 BCADRP C[NH+](C)CC[C@@H](NC(=O)NCC[NH3+])C(C)(C)C ZINC000417680994 191911504 /nfs/dbraw/zinc/91/15/04/191911504.db2.gz OUNMHSMVMXRJTD-SNVBAGLBSA-N 2 0 244.383 0.611 20 0 BCADRP FC(F)[C@@H]1C[NH2+]CCN1C[C@H]1CCC[NH2+]C1 ZINC000583630697 355940716 /nfs/dbraw/zinc/94/07/16/355940716.db2.gz PBDARNWFSPXIAJ-UWVGGRQHSA-N 2 0 233.306 0.525 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000583629978 355933313 /nfs/dbraw/zinc/93/33/13/355933313.db2.gz ZAMAMLWXGJOZFL-NSHDSACASA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000167400249 355987849 /nfs/dbraw/zinc/98/78/49/355987849.db2.gz XYNALZIXCXKFBT-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]12 ZINC000351488174 355999211 /nfs/dbraw/zinc/99/92/11/355999211.db2.gz DXWIAYJGXAXAPJ-GRYCIOLGSA-N 2 0 237.347 0.278 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]12 ZINC000351488175 355999259 /nfs/dbraw/zinc/99/92/59/355999259.db2.gz DXWIAYJGXAXAPJ-IJLUTSLNSA-N 2 0 237.347 0.278 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C[C@H]1CCC[NH2+]1 ZINC000417840588 191934929 /nfs/dbraw/zinc/93/49/29/191934929.db2.gz OQIBOENGURJJKT-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C[C@@H]1[NH3+] ZINC000417846239 191936671 /nfs/dbraw/zinc/93/66/71/191936671.db2.gz YJXUGUOGOYRYTO-RHYQMDGZSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000417848237 191937701 /nfs/dbraw/zinc/93/77/01/191937701.db2.gz KISUAXWXEKCTFT-GMTAPVOTSA-N 2 0 242.367 0.506 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000167198664 355968813 /nfs/dbraw/zinc/96/88/13/355968813.db2.gz UOOUDDNTGMASSD-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CC[C@H](C)[NH3+] ZINC000262721034 535295543 /nfs/dbraw/zinc/29/55/43/535295543.db2.gz FSMMXBNQJLHTAW-JQWIXIFHSA-N 2 0 229.368 0.994 20 0 BCADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000617551741 356107831 /nfs/dbraw/zinc/10/78/31/356107831.db2.gz YHDRZQGIYSGOQP-RYUDHWBXSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC000351861579 356099514 /nfs/dbraw/zinc/09/95/14/356099514.db2.gz KSPBIAGIJBQJNN-GHMZBOCLSA-N 2 0 225.336 0.278 20 0 BCADRP C[C@@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[NH+](C)C ZINC000418246348 192004661 /nfs/dbraw/zinc/00/46/61/192004661.db2.gz CGEDSOGUOFVBMT-GARJFASQSA-N 2 0 242.367 0.234 20 0 BCADRP C[C@@H](CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+](C)C ZINC000418246354 192004724 /nfs/dbraw/zinc/00/47/24/192004724.db2.gz CGEDSOGUOFVBMT-VWYCJHECSA-N 2 0 242.367 0.234 20 0 BCADRP C[C@@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[NH+](C)C ZINC000418248984 192006374 /nfs/dbraw/zinc/00/63/74/192006374.db2.gz FWDXHKAQXBUNSA-VWYCJHECSA-N 2 0 242.367 0.328 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418283350 192014189 /nfs/dbraw/zinc/01/41/89/192014189.db2.gz KFTRYHHAHKDZAH-JTQLQIEISA-N 2 0 242.367 0.685 20 0 BCADRP CN(CC[NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000418283097 192013783 /nfs/dbraw/zinc/01/37/83/192013783.db2.gz JBIVIWYVEPXNRP-UHFFFAOYSA-N 2 0 242.367 0.638 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000351904557 356176399 /nfs/dbraw/zinc/17/63/99/356176399.db2.gz CPDKQNDCYHINHO-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP [NH3+]C1(CNC(=O)N[C@@H]2CC[NH2+]C2)CCCCC1 ZINC000418299644 192020723 /nfs/dbraw/zinc/02/07/23/192020723.db2.gz TYDNBDRUKWGZBQ-SNVBAGLBSA-N 2 0 240.351 0.309 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)NCCC[NH3+] ZINC000418308252 192021118 /nfs/dbraw/zinc/02/11/18/192021118.db2.gz FXVUBQPIXKLSOY-UHFFFAOYSA-N 2 0 244.383 0.564 20 0 BCADRP C[NH2+]CCCNC(=O)N(C)CC[NH+]1CCCC1 ZINC000418310848 192021835 /nfs/dbraw/zinc/02/18/35/192021835.db2.gz PUBWYXRGDLMZNU-UHFFFAOYSA-N 2 0 242.367 0.333 20 0 BCADRP C[NH2+]CCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418314751 192021896 /nfs/dbraw/zinc/02/18/96/192021896.db2.gz FZITXACJOCETPL-ZJUUUORDSA-N 2 0 228.340 0.023 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC[NH3+] ZINC000418310211 192021909 /nfs/dbraw/zinc/02/19/09/192021909.db2.gz JJIZEHRXGNOIGE-VHSXEESVSA-N 2 0 228.340 0.247 20 0 BCADRP C[NH+](C)CCNC(=O)NCC1([NH3+])CCCCC1 ZINC000418310660 192022040 /nfs/dbraw/zinc/02/20/40/192022040.db2.gz DQNCZMSERMJZLZ-UHFFFAOYSA-N 2 0 242.367 0.509 20 0 BCADRP CC[NH2+]CCNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000418315700 192022534 /nfs/dbraw/zinc/02/25/34/192022534.db2.gz IHCULXVSLINGPW-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418314067 192022810 /nfs/dbraw/zinc/02/28/10/192022810.db2.gz DBQHCNIDGKNHTR-VHSXEESVSA-N 2 0 228.340 0.165 20 0 BCADRP CC[NH2+]CCNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000418315703 192023255 /nfs/dbraw/zinc/02/32/55/192023255.db2.gz IHCULXVSLINGPW-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP CC[C@@H](C)[NH+]1CCN(C(=O)NCC[NH2+]C)CC1 ZINC000418320697 192023870 /nfs/dbraw/zinc/02/38/70/192023870.db2.gz WEZZICNBDHNRNL-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP CC[NH2+]CCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418320559 192023964 /nfs/dbraw/zinc/02/39/64/192023964.db2.gz VGMYFOQSJZOYLF-LLVKDONJSA-N 2 0 240.351 0.132 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418320738 192024189 /nfs/dbraw/zinc/02/41/89/192024189.db2.gz WMTPBCSXFKATQR-SNVBAGLBSA-N 2 0 230.356 0.269 20 0 BCADRP C[NH2+]CCNC(=O)NCC1([NH3+])CCCCCC1 ZINC000418290104 192016246 /nfs/dbraw/zinc/01/62/46/192016246.db2.gz ZMQSABVFOXUMBQ-UHFFFAOYSA-N 2 0 242.367 0.557 20 0 BCADRP CC(=O)NCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192631281 356275882 /nfs/dbraw/zinc/27/58/82/356275882.db2.gz DSHADHGVQFNCPG-YHWZYXNKSA-N 2 0 239.363 0.727 20 0 BCADRP O=c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc[nH]1 ZINC000639457268 356242837 /nfs/dbraw/zinc/24/28/37/356242837.db2.gz RQPVTINRNMWFPZ-GHMZBOCLSA-N 2 0 219.288 0.438 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CC1(C[NH3+])CC1 ZINC000422867753 192492858 /nfs/dbraw/zinc/49/28/58/192492858.db2.gz STOYDJAJGXARRA-LLVKDONJSA-N 2 0 227.352 0.605 20 0 BCADRP CC(C)[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000420299504 192207372 /nfs/dbraw/zinc/20/73/72/192207372.db2.gz GQZNSHALIMJSTN-UHFFFAOYSA-N 2 0 211.353 0.764 20 0 BCADRP CC[NH+](CC)CCCN1CCO[C@H](C[NH3+])C1 ZINC000420298949 192204294 /nfs/dbraw/zinc/20/42/94/192204294.db2.gz AJMADKYNCQFFBZ-GFCCVEGCSA-N 2 0 229.368 0.378 20 0 BCADRP C[C@H]1CN(CC[N@H+](C)CC(C)(C)C[NH3+])CCO1 ZINC000420295942 192204854 /nfs/dbraw/zinc/20/48/54/192204854.db2.gz WIQKGIIFXFPQDE-LBPRGKRZSA-N 2 0 243.395 0.624 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000420296237 192205069 /nfs/dbraw/zinc/20/50/69/192205069.db2.gz WWFOSMXLUJWVLR-GHMZBOCLSA-N 2 0 228.336 0.997 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420303130 192206878 /nfs/dbraw/zinc/20/68/78/192206878.db2.gz HCVVTUOMCYUUJS-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP C[NH2+]CCC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000069730569 491089556 /nfs/dbraw/zinc/08/95/56/491089556.db2.gz WZHFGGCLLFFMAA-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP C[NH2+][C@H]1CCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420274976 192198311 /nfs/dbraw/zinc/19/83/11/192198311.db2.gz PPKSBFKVDHUDNY-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP NC(=O)C[C@@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420302903 192206962 /nfs/dbraw/zinc/20/69/62/192206962.db2.gz MSQHGCDFYAWGPI-NEPJUHHUSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000617752994 356312288 /nfs/dbraw/zinc/31/22/88/356312288.db2.gz YOSZMPKBFUIBNS-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP COC(=O)CC1(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000420300966 192206707 /nfs/dbraw/zinc/20/67/07/192206707.db2.gz DLTWVAOJCKYCRS-MNOVXSKESA-N 2 0 240.347 0.999 20 0 BCADRP COC(=O)CC1(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000420300962 192207222 /nfs/dbraw/zinc/20/72/22/192207222.db2.gz DLTWVAOJCKYCRS-GHMZBOCLSA-N 2 0 240.347 0.999 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420303127 192207275 /nfs/dbraw/zinc/20/72/75/192207275.db2.gz HCVVTUOMCYUUJS-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H](CCNC(=O)C1([NH+](C)C)CC1)[NH+](C)C ZINC000617762399 356320076 /nfs/dbraw/zinc/32/00/76/356320076.db2.gz NYUNFBXGSMCYLV-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CCC(=O)OC(C)C)C1 ZINC000420294457 192203429 /nfs/dbraw/zinc/20/34/29/192203429.db2.gz OMKIYBHJKZQBNS-NSHDSACASA-N 2 0 228.336 0.869 20 0 BCADRP CC[N@H+](CCC(=O)N(C)C)[C@H]1CCC[NH2+]CC1 ZINC000420302822 192207914 /nfs/dbraw/zinc/20/79/14/192207914.db2.gz CBVSEJQHCOKSQB-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000420311837 192210470 /nfs/dbraw/zinc/21/04/70/192210470.db2.gz IBDDTGRHPXMRQY-LBPRGKRZSA-N 2 0 228.336 0.999 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420308172 192210601 /nfs/dbraw/zinc/21/06/01/192210601.db2.gz CNQZKXSIWBLTCI-GRYCIOLGSA-N 3 0 211.353 0.798 20 0 BCADRP CN(C)C(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000420308812 192211113 /nfs/dbraw/zinc/21/11/13/192211113.db2.gz DIEMIFWUWQWGSA-UHFFFAOYSA-N 2 0 241.379 0.916 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420308173 192211776 /nfs/dbraw/zinc/21/17/76/192211776.db2.gz CNQZKXSIWBLTCI-IJLUTSLNSA-N 3 0 211.353 0.798 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420316552 192212167 /nfs/dbraw/zinc/21/21/67/192212167.db2.gz YIYXZQIANOSCJS-NXEZZACHSA-N 2 0 214.309 0.609 20 0 BCADRP C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000420369781 192227816 /nfs/dbraw/zinc/22/78/16/192227816.db2.gz OMUSSEIZLJKAHE-MDZLAQPJSA-N 2 0 225.380 0.962 20 0 BCADRP CCOC(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420324327 192230580 /nfs/dbraw/zinc/23/05/80/192230580.db2.gz VJEHQQVNVDZHNP-ZJUUUORDSA-N 2 0 214.309 0.609 20 0 BCADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)C1(CN)CCC1 ZINC000420324689 192230646 /nfs/dbraw/zinc/23/06/46/192230646.db2.gz HMWAXYABCKJCFL-NSHDSACASA-N 2 0 211.353 0.799 20 0 BCADRP C[NH2+]CCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420358159 192219179 /nfs/dbraw/zinc/21/91/79/192219179.db2.gz FBCZPOZVDBOEOD-GFCCVEGCSA-N 2 0 211.353 0.671 20 0 BCADRP COC(=O)[C@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420357032 192220367 /nfs/dbraw/zinc/22/03/67/192220367.db2.gz HJYSHGKAHPDBIQ-WDEREUQCSA-N 2 0 226.320 0.623 20 0 BCADRP CN(CCC[NH+]1CCCCC1)C[C@@H](O)C[NH3+] ZINC000420361545 192222166 /nfs/dbraw/zinc/22/21/66/192222166.db2.gz YIJVRNQBHHSROJ-LBPRGKRZSA-N 2 0 229.368 0.114 20 0 BCADRP C[C@H]([NH3+])CN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420393585 192237003 /nfs/dbraw/zinc/23/70/03/192237003.db2.gz XVWFGZWQDDKSLH-XHVZSJERSA-N 2 0 237.322 0.899 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420379989 192232715 /nfs/dbraw/zinc/23/27/15/192232715.db2.gz BYDVGSCPTJIJLJ-STQMWFEESA-N 3 0 241.379 0.426 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000336603948 356406052 /nfs/dbraw/zinc/40/60/52/356406052.db2.gz MDKSVZVVJDNFAZ-NXEZZACHSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@@H]1C[N@H+](CCc2cncn2C)C[C@H]1O ZINC000639554576 356456169 /nfs/dbraw/zinc/45/61/69/356456169.db2.gz LIWKAELTFPHAHU-ZYHUDNBSSA-N 2 0 223.320 0.665 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000019412420 356482972 /nfs/dbraw/zinc/48/29/72/356482972.db2.gz VDKMULDBZGUXMP-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H](C(=O)N1CC[NH2+]CC1)[NH+]1CCCCCC1 ZINC000019474013 356483232 /nfs/dbraw/zinc/48/32/32/356483232.db2.gz RMIQCQJIXMRNJE-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP CC(C)CNC(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000019843083 356486237 /nfs/dbraw/zinc/48/62/37/356486237.db2.gz DSPWPBZIQUAQBV-NSHDSACASA-N 2 0 227.352 0.429 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000336173776 134116194 /nfs/dbraw/zinc/11/61/94/134116194.db2.gz QTBJWHULMLKTAX-NWDGAFQWSA-N 2 0 237.347 0.293 20 0 BCADRP CCN(CCc1cncn1C)Cc1cn(C)nn1 ZINC000639597533 356516301 /nfs/dbraw/zinc/51/63/01/356516301.db2.gz LJDFXRFMIYBFAE-UHFFFAOYSA-N 2 0 248.334 0.613 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000578130787 366291639 /nfs/dbraw/zinc/29/16/39/366291639.db2.gz DGKDKUPHFODYIO-ZJUUUORDSA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000578130486 366291953 /nfs/dbraw/zinc/29/19/53/366291953.db2.gz MVFTVTHGMVRHNQ-OUAUKWLOSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H]1CN(C(=O)C2([NH3+])CCC2)C[C@H](C)[NH2+]1 ZINC000336214411 134136126 /nfs/dbraw/zinc/13/61/26/134136126.db2.gz NUVPZMLHWLSMDV-IUCAKERBSA-N 2 0 211.309 0.077 20 0 BCADRP CN(C(=O)C[C@H]1CCCC[C@@H]1[NH3+])C1CC([NH3+])C1 ZINC000336211913 134134667 /nfs/dbraw/zinc/13/46/67/134134667.db2.gz PBQSHLRDOBKHNI-YYJSSNLHSA-N 2 0 239.363 0.842 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)N2CC[NH2+][C@@H](C)C2)C[NH2+]1 ZINC000627207754 363503030 /nfs/dbraw/zinc/50/30/30/363503030.db2.gz TVFRCTVDVYIPDG-DCAQKATOSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)N2CC[NH2+][C@@H](C)C2)C[NH2+]1 ZINC000627207755 363503583 /nfs/dbraw/zinc/50/35/83/363503583.db2.gz TVFRCTVDVYIPDG-GARJFASQSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)N2CCC[C@@H]([NH3+])C2)C[NH2+]1 ZINC000627208450 363504339 /nfs/dbraw/zinc/50/43/39/363504339.db2.gz XPXYRMXEWLNEFB-HBNTYKKESA-N 2 0 240.351 0.260 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H]2C[NH3+])C[NH2+]1 ZINC000627206435 363504628 /nfs/dbraw/zinc/50/46/28/363504628.db2.gz JDJDQQRPAKBTOS-GMTAPVOTSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627208053 363506851 /nfs/dbraw/zinc/50/68/51/363506851.db2.gz GEDGVUCAEVGPHX-VPOLOUISSA-N 2 0 240.351 0.177 20 0 BCADRP C[C@@H](NC[C@H](O)C[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422971113 192532434 /nfs/dbraw/zinc/53/24/34/192532434.db2.gz HXHAOVWFPPWLGW-AGIUHOORSA-N 2 0 241.379 0.173 20 0 BCADRP CC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754924 356658308 /nfs/dbraw/zinc/65/83/08/356658308.db2.gz CKAAADSZFNBORL-UHFFFAOYSA-N 2 0 210.321 0.993 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C)C1CC[NH2+]CC1 ZINC000582240367 356670719 /nfs/dbraw/zinc/67/07/19/356670719.db2.gz IDADYDUWYMDLAM-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000582242183 356671837 /nfs/dbraw/zinc/67/18/37/356671837.db2.gz JQMZWHNVNMDBMW-GRYCIOLGSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C[NH+](C)C ZINC000167926276 134155012 /nfs/dbraw/zinc/15/50/12/134155012.db2.gz YQMHCIQDVPIJQS-NXEZZACHSA-N 2 0 213.325 0.276 20 0 BCADRP COCC[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764267 356689780 /nfs/dbraw/zinc/68/97/80/356689780.db2.gz ZOKADQJMOUEWEJ-CHWSQXEVSA-N 2 0 244.379 0.800 20 0 BCADRP C[C@H](O)CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764019 356689980 /nfs/dbraw/zinc/68/99/80/356689980.db2.gz SEDUNWUFCVMQAY-NWDGAFQWSA-N 2 0 230.352 0.146 20 0 BCADRP C[NH2+]CCC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000381393357 356690653 /nfs/dbraw/zinc/69/06/53/356690653.db2.gz OBHYLLWUCBPURZ-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP c1cnn(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000088430176 356708011 /nfs/dbraw/zinc/70/80/11/356708011.db2.gz DEJYBIOHEJPSQJ-GHMZBOCLSA-N 2 0 206.293 0.034 20 0 BCADRP C[NH2+][C@H](C)Cc1noc(CC[C@H]2CC[NH2+]C2)n1 ZINC000578192033 366366416 /nfs/dbraw/zinc/36/64/16/366366416.db2.gz YKRWIPLSNZQWLT-ZJUUUORDSA-N 2 0 238.335 0.762 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)CC1([NH3+])CC1 ZINC000398073376 538642252 /nfs/dbraw/zinc/64/22/52/538642252.db2.gz HPXSZZKHUFMGPP-UHFFFAOYSA-N 2 0 227.352 0.668 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(CCOCC[NH3+])C[C@@H]1C ZINC000578193720 366379362 /nfs/dbraw/zinc/37/93/62/366379362.db2.gz KRWWQJQZISOVAA-RYUDHWBXSA-N 2 0 229.368 0.376 20 0 BCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C)C[NH3+])C1 ZINC000357245140 356820151 /nfs/dbraw/zinc/82/01/51/356820151.db2.gz UTHLTOQVBPLNMX-VXGBXAGGSA-N 2 0 241.379 0.675 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH2+]C ZINC000357240640 356820319 /nfs/dbraw/zinc/82/03/19/356820319.db2.gz MIJSVULKRYNKQJ-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]([NH3+])C(C)C ZINC000041680067 358512862 /nfs/dbraw/zinc/51/28/62/358512862.db2.gz PJNBBBYNBFLDHM-GHMZBOCLSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@H](N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000423196666 192621486 /nfs/dbraw/zinc/62/14/86/192621486.db2.gz VVMIDILZHOLHJZ-TUAOUCFPSA-N 2 0 211.353 0.859 20 0 BCADRP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)C1CC1 ZINC000423200632 192624411 /nfs/dbraw/zinc/62/44/11/192624411.db2.gz GBDRUZYBSPDLND-LBPRGKRZSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CC2(O)CCOCC2)CC[N@@H+]1C ZINC000156229107 538773724 /nfs/dbraw/zinc/77/37/24/538773724.db2.gz VGABKGIPKLHBBG-VXGBXAGGSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CC2(O)CCOCC2)CC[N@@H+]1C ZINC000156229519 538774326 /nfs/dbraw/zinc/77/43/26/538774326.db2.gz VGABKGIPKLHBBG-RYUDHWBXSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000582302354 357039882 /nfs/dbraw/zinc/03/98/82/357039882.db2.gz QQYRSARCSQJMGI-KXUCPTDWSA-N 2 0 227.352 0.556 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN(C)[C@H]1CCOC1 ZINC000389611405 357002821 /nfs/dbraw/zinc/00/28/21/357002821.db2.gz BDZGNAZDUBFPQI-QWRGUYRKSA-N 2 0 216.325 0.020 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN(C)[C@@H]1CCOC1 ZINC000389611403 357003163 /nfs/dbraw/zinc/00/31/63/357003163.db2.gz BDZGNAZDUBFPQI-GHMZBOCLSA-N 2 0 216.325 0.020 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CCC[NH3+] ZINC000389718676 357018755 /nfs/dbraw/zinc/01/87/55/357018755.db2.gz OUNYNXMOWKRJJA-SNVBAGLBSA-N 2 0 201.314 0.215 20 0 BCADRP O=C([C@H]1CC12CC[NH2+]CC2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000582359352 357103026 /nfs/dbraw/zinc/10/30/26/357103026.db2.gz IHMXEWSCVOYZCZ-GRYCIOLGSA-N 2 0 249.358 0.054 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000390542744 357103441 /nfs/dbraw/zinc/10/34/41/357103441.db2.gz LYLHBVVHOGXLDZ-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000390610933 357107557 /nfs/dbraw/zinc/10/75/57/357107557.db2.gz FCGKYDCKFHVACM-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000390648017 357109049 /nfs/dbraw/zinc/10/90/49/357109049.db2.gz OLSZPLZVSOEHMW-LPEHRKFASA-N 2 0 213.325 0.086 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000390663054 357109751 /nfs/dbraw/zinc/10/97/51/357109751.db2.gz SUPCISPMHFGFRW-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH2+]CCCNC(=O)CCC[NH2+]C ZINC000389972544 357076262 /nfs/dbraw/zinc/07/62/62/357076262.db2.gz CQRUSNALTYVMNU-UHFFFAOYSA-N 2 0 201.314 0.102 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000390462109 357094302 /nfs/dbraw/zinc/09/43/02/357094302.db2.gz GFMTYTOVIUPSAJ-VIFPVBQESA-N 2 0 213.325 0.087 20 0 BCADRP C([C@H]1CCC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390504656 357098704 /nfs/dbraw/zinc/09/87/04/357098704.db2.gz WKSOPJIYLHLNBS-SDDRHHMPSA-N 2 0 209.337 0.137 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000582409957 357137885 /nfs/dbraw/zinc/13/78/85/357137885.db2.gz LSZAOHHDVBFPKB-PWSUYJOCSA-N 2 0 227.352 0.762 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000582432052 357149145 /nfs/dbraw/zinc/14/91/45/357149145.db2.gz BKMUCTYAZAZDOT-MXWKQRLJSA-N 2 0 240.351 0.165 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000390797209 357116773 /nfs/dbraw/zinc/11/67/73/357116773.db2.gz TUOVZODTIXLFMP-KOLCDFICSA-N 2 0 213.325 0.243 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH2+][C@H]1C)C(C)C ZINC000583690073 357120563 /nfs/dbraw/zinc/12/05/63/357120563.db2.gz CCILBFTZRXJUSY-NWDGAFQWSA-N 2 0 241.379 0.831 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C)C(C)C ZINC000583690075 357121037 /nfs/dbraw/zinc/12/10/37/357121037.db2.gz CCILBFTZRXJUSY-VXGBXAGGSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)C[NH+](C)C ZINC000123018431 357203850 /nfs/dbraw/zinc/20/38/50/357203850.db2.gz GZCJYRRMCJELNY-UHFFFAOYSA-N 2 0 229.368 0.594 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000389381271 538814528 /nfs/dbraw/zinc/81/45/28/538814528.db2.gz MXLRDVYYPUVTHL-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@@]2(OC)CCOC2)CC1 ZINC000123164911 357213351 /nfs/dbraw/zinc/21/33/51/357213351.db2.gz YSSSMAKOJQAGJN-ZDUSSCGKSA-N 2 0 242.363 0.866 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)NCC[N@H+]1CC=CCC1 ZINC000392840027 357245476 /nfs/dbraw/zinc/24/54/76/357245476.db2.gz RCLGNWFXNFAMLW-GFCCVEGCSA-N 2 0 237.347 0.507 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000392877635 357261549 /nfs/dbraw/zinc/26/15/49/357261549.db2.gz MVEFROQSZZVHQU-JTQLQIEISA-N 2 0 211.309 0.102 20 0 BCADRP C[NH2+]CCCC(=O)NCC[N@H+]1CC=CCC1 ZINC000392958974 357264146 /nfs/dbraw/zinc/26/41/46/357264146.db2.gz OIUGOQPCXQTJKE-UHFFFAOYSA-N 2 0 225.336 0.364 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000582724674 357372194 /nfs/dbraw/zinc/37/21/94/357372194.db2.gz CGHSZIONICYXPM-VWYCJHECSA-N 2 0 227.352 0.413 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)C(C)(C)C ZINC000393983661 357313059 /nfs/dbraw/zinc/31/30/59/357313059.db2.gz VFMIMIPPFWPKEC-MNOVXSKESA-N 2 0 232.368 0.296 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000582488064 357318745 /nfs/dbraw/zinc/31/87/45/357318745.db2.gz PSWOBNAYINWJPU-CABZTGNLSA-N 2 0 246.314 0.318 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000582545855 357331203 /nfs/dbraw/zinc/33/12/03/357331203.db2.gz LHBUHGFMVBHPMI-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH+](C)C[C@@H](O)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623408515 357405670 /nfs/dbraw/zinc/40/56/70/357405670.db2.gz YVTXJHWIHXAAGY-NEPJUHHUSA-N 2 0 243.395 0.371 20 0 BCADRP Nc1cccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000582846497 357415059 /nfs/dbraw/zinc/41/50/59/357415059.db2.gz QPCOSORCDOLZFG-ZDUSSCGKSA-N 2 0 235.331 0.818 20 0 BCADRP CCCN(C(=O)C[NH2+]C(C)C)[C@H]1CC[NH2+]C1 ZINC000582856400 357421401 /nfs/dbraw/zinc/42/14/01/357421401.db2.gz KIHAJUNPAXXCSV-NSHDSACASA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000582903560 357427292 /nfs/dbraw/zinc/42/72/92/357427292.db2.gz IIBDUVFQYDIHLB-AXFHLTTASA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000582915544 357435582 /nfs/dbraw/zinc/43/55/82/357435582.db2.gz PTQNAKNPCXKWFG-VIFPVBQESA-N 2 0 221.304 0.369 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH2+]C ZINC000583153586 357496366 /nfs/dbraw/zinc/49/63/66/357496366.db2.gz PGSXNESMXILQBY-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+]CC1(O)CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000397075471 357497380 /nfs/dbraw/zinc/49/73/80/357497380.db2.gz CNWSTWBCBDEAGJ-VXGBXAGGSA-N 2 0 242.363 0.323 20 0 BCADRP C[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000583041599 357462736 /nfs/dbraw/zinc/46/27/36/357462736.db2.gz LADOKRSHBFNJMZ-SNVBAGLBSA-N 2 0 213.325 0.006 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000583033380 357464324 /nfs/dbraw/zinc/46/43/24/357464324.db2.gz CEMSVAZXBQSMKJ-GWCFXTLKSA-N 2 0 247.342 0.598 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC(C)(C)CC[NH3+] ZINC000583079371 357473778 /nfs/dbraw/zinc/47/37/78/357473778.db2.gz QYTRSQPBLYCZIO-YUMQZZPRSA-N 2 0 201.314 0.213 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000583143107 357492835 /nfs/dbraw/zinc/49/28/35/357492835.db2.gz VXZZTYSPTJPSME-NXEZZACHSA-N 2 0 225.336 0.359 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC([NH3+])CC1 ZINC000583141445 357493227 /nfs/dbraw/zinc/49/32/27/357493227.db2.gz BWCXPWUVRBGASH-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)CC[C@@H](C)[NH3+] ZINC000230711302 357572772 /nfs/dbraw/zinc/57/27/72/357572772.db2.gz HUDWQJBKXVDEOX-LLVKDONJSA-N 2 0 229.368 0.914 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C1([NH3+])CCC1 ZINC000230710947 357572781 /nfs/dbraw/zinc/57/27/81/357572781.db2.gz XKTDYNWRYDAFAO-UHFFFAOYSA-N 2 0 227.352 0.668 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCC2CC[NH2+]CC2)C1 ZINC000583198636 357517130 /nfs/dbraw/zinc/51/71/30/357517130.db2.gz UWWSKNBVAHPZKI-VXGBXAGGSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)(C[NH3+])NC(=O)c1coc(C[NH3+])c1 ZINC000393764252 357549357 /nfs/dbraw/zinc/54/93/57/357549357.db2.gz AQNWELGRWOTPSL-UHFFFAOYSA-N 2 0 211.265 0.205 20 0 BCADRP CCCCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178300 357552707 /nfs/dbraw/zinc/55/27/07/357552707.db2.gz SOUIKMMBSMRBST-LBPRGKRZSA-N 2 0 241.379 0.964 20 0 BCADRP CC(C)CC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063178484 357552949 /nfs/dbraw/zinc/55/29/49/357552949.db2.gz FUBNUMPKDRUQOG-GFCCVEGCSA-N 2 0 241.379 0.819 20 0 BCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@H]1CCC[NH2+]1 ZINC000188723546 357565925 /nfs/dbraw/zinc/56/59/25/357565925.db2.gz QUGWIYDIFSPSPI-CYBMUJFWSA-N 2 0 245.326 0.658 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)CCO1 ZINC000231676237 357620040 /nfs/dbraw/zinc/62/00/40/357620040.db2.gz BRIPWSTZDHTMBB-RYUDHWBXSA-N 2 0 230.352 0.722 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C[C@H](C[NH3+])OC ZINC000232119487 357646597 /nfs/dbraw/zinc/64/65/97/357646597.db2.gz HBCZBEMPDWPYLT-WDEREUQCSA-N 2 0 245.367 0.197 20 0 BCADRP [NH3+]CCCn1cc([C@H]2CCCC[NH2+]2)nn1 ZINC000685947110 538888940 /nfs/dbraw/zinc/88/89/40/538888940.db2.gz RIVZTJUQTVIXRM-SECBINFHSA-N 2 0 209.297 0.442 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000086066064 357809374 /nfs/dbraw/zinc/80/93/74/357809374.db2.gz FHETWFPTZIXWFI-LLVKDONJSA-N 2 0 227.352 0.395 20 0 BCADRP CSC1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000235234165 357858481 /nfs/dbraw/zinc/85/84/81/357858481.db2.gz KRQZFDYSJSNIPH-LLVKDONJSA-N 2 0 244.404 0.928 20 0 BCADRP C[C@@H]1C[C@H](C(=O)NCC[N@H+](C)C2CC2)CC[NH2+]1 ZINC000235359668 357866800 /nfs/dbraw/zinc/86/68/00/357866800.db2.gz IXQMZZOYVCLSAY-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP O=C1CC[C@H]2C[N@H+](CC3CC[NH2+]CC3)CCN12 ZINC000168572281 134226918 /nfs/dbraw/zinc/22/69/18/134226918.db2.gz QHMAEPNGKSNXPF-LBPRGKRZSA-N 2 0 237.347 0.293 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC[NH+]1CCSCC1 ZINC000235467881 357870483 /nfs/dbraw/zinc/87/04/83/357870483.db2.gz CCJNFLOAGLTXLZ-JTQLQIEISA-N 2 0 245.392 0.279 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])C2CCC2)CC[N@@H+]1C ZINC000399068252 357895034 /nfs/dbraw/zinc/89/50/34/357895034.db2.gz MZBKUDXFLSFRLO-YUSALJHKSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H](CNc1cc[nH+]cc1C(N)=O)C[NH+](C)C ZINC000583298707 357883460 /nfs/dbraw/zinc/88/34/60/357883460.db2.gz IGKJXQUNPXWDAG-VIFPVBQESA-N 2 0 236.319 0.212 20 0 BCADRP C[C@H](CNc1cc[nH+]cc1C(N)=O)C[NH+](C)C ZINC000583298706 357883834 /nfs/dbraw/zinc/88/38/34/357883834.db2.gz IGKJXQUNPXWDAG-SECBINFHSA-N 2 0 236.319 0.212 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NCC(C)(C)[NH+](C)C)CC[NH2+]1 ZINC000235632609 357926606 /nfs/dbraw/zinc/92/66/06/357926606.db2.gz CZIDVCYBXRENAL-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP CC1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[NH2+]C1 ZINC000399232686 357899664 /nfs/dbraw/zinc/89/96/64/357899664.db2.gz GNMFUAMGGQBELF-JTQLQIEISA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+]CCC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000583322164 357904168 /nfs/dbraw/zinc/90/41/68/357904168.db2.gz WDCSESGFVNQUCB-LLVKDONJSA-N 3 0 227.352 0.023 20 0 BCADRP CCN(C)C(=O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000229587646 491116418 /nfs/dbraw/zinc/11/64/18/491116418.db2.gz QNMLAZNUBKWPMG-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP OC1(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000583747867 357933151 /nfs/dbraw/zinc/93/31/51/357933151.db2.gz HXQYZRBKWDTBPL-LLVKDONJSA-N 2 0 224.348 0.975 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2CCC[C@@H]2C[NH3+])co1 ZINC000583751659 357933933 /nfs/dbraw/zinc/93/39/33/357933933.db2.gz OFUSYKVBXODIKM-SECBINFHSA-N 2 0 223.276 0.302 20 0 BCADRP C[NH+](C)CC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000168668259 134240897 /nfs/dbraw/zinc/24/08/97/134240897.db2.gz FDDDXLPQUNCEPG-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]CCCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000584528827 358042138 /nfs/dbraw/zinc/04/21/38/358042138.db2.gz ZCECNETURUNOIL-UHFFFAOYSA-N 2 0 233.315 0.629 20 0 BCADRP CC[NH+]1CCC(CCNC(=O)[C@@H](C)[NH3+])CC1 ZINC000168711775 134246678 /nfs/dbraw/zinc/24/66/78/134246678.db2.gz SHQHLLSPVJCFGD-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP CN(CC[C@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000583872473 358081403 /nfs/dbraw/zinc/08/14/03/358081403.db2.gz KWGWIJLCVSXWJO-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP Cc1cnn(CC[NH2+][C@@](C)(C[NH3+])C2CC2)c1 ZINC000584604434 358104641 /nfs/dbraw/zinc/10/46/41/358104641.db2.gz SKSUWGHKKMRNFB-LBPRGKRZSA-N 2 0 222.336 0.909 20 0 BCADRP C[C@H](CC(=O)NC1CC[NH2+]CC1)n1ccnc1 ZINC000584656115 358120573 /nfs/dbraw/zinc/12/05/73/358120573.db2.gz GHDAEYYQIXGVMQ-SNVBAGLBSA-N 2 0 236.319 0.702 20 0 BCADRP C[C@@H](CC(=O)NC1CC[NH2+]CC1)n1ccnc1 ZINC000584656114 358120637 /nfs/dbraw/zinc/12/06/37/358120637.db2.gz GHDAEYYQIXGVMQ-JTQLQIEISA-N 2 0 236.319 0.702 20 0 BCADRP C[NH2+]CCC(=O)N(CC[NH+](C)C)C1CC1 ZINC000584719627 358161135 /nfs/dbraw/zinc/16/11/35/358161135.db2.gz VNDQZYGHPDJTEE-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000584721244 358161944 /nfs/dbraw/zinc/16/19/44/358161944.db2.gz LSZBOXHRHIITHJ-WCQYABFASA-N 2 0 235.331 0.022 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000584779409 358176313 /nfs/dbraw/zinc/17/63/13/358176313.db2.gz OKBZZFHPBHDYHI-SRVKXCTJSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000584838098 358198317 /nfs/dbraw/zinc/19/83/17/358198317.db2.gz UDYNVLKOCMBXFB-DCAQKATOSA-N 2 0 225.336 0.195 20 0 BCADRP CN(CCC[NH3+])C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000584849131 358208825 /nfs/dbraw/zinc/20/88/25/358208825.db2.gz GLBVNIPGBXYUNV-MNOVXSKESA-N 2 0 242.367 0.494 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000086068377 358209177 /nfs/dbraw/zinc/20/91/77/358209177.db2.gz UVGQOIGIFNNDDD-MNOVXSKESA-N 2 0 227.352 0.300 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040624537 358244672 /nfs/dbraw/zinc/24/46/72/358244672.db2.gz USAAKIFCVMZVJH-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+]CCCCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000040832463 358246826 /nfs/dbraw/zinc/24/68/26/358246826.db2.gz VMYKSEZJSXOACJ-LBPRGKRZSA-N 2 0 235.331 0.932 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000653232481 491128486 /nfs/dbraw/zinc/12/84/86/491128486.db2.gz CBTHRVVCKBWRNQ-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000653232483 491128509 /nfs/dbraw/zinc/12/85/09/491128509.db2.gz CBTHRVVCKBWRNQ-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]CCCC(=O)NCCC1(C[NH3+])CC1 ZINC000653215804 491128395 /nfs/dbraw/zinc/12/83/95/491128395.db2.gz BPSQAEJSZSOVQA-UHFFFAOYSA-N 2 0 213.325 0.231 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)CN2CCOCC2)C1 ZINC000226635896 358342613 /nfs/dbraw/zinc/34/26/13/358342613.db2.gz SFSBBDOXYZOISZ-STQMWFEESA-N 2 0 241.379 0.248 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H](C)[NH2+]C ZINC000655451559 491129382 /nfs/dbraw/zinc/12/93/82/491129382.db2.gz KJWMNBYOAHVJPS-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP Cn1ccc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000227220669 358352366 /nfs/dbraw/zinc/35/23/66/358352366.db2.gz UIXBZIJRACGORU-CMPLNLGQSA-N 2 0 222.336 0.822 20 0 BCADRP [NH3+]CCCCC(=O)NCC[NH+]1CCSCC1 ZINC000227833385 358364166 /nfs/dbraw/zinc/36/41/66/358364166.db2.gz YWYPXYZYRVPFHZ-UHFFFAOYSA-N 2 0 245.392 0.280 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000044426796 358408220 /nfs/dbraw/zinc/40/82/20/358408220.db2.gz XSVZOGAGSSMPMC-CYBMUJFWSA-N 2 0 247.342 0.551 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000044426794 358408834 /nfs/dbraw/zinc/40/88/34/358408834.db2.gz XSVZOGAGSSMPMC-ZDUSSCGKSA-N 2 0 247.342 0.551 20 0 BCADRP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CC[NH2+]CC1 ZINC000043595195 358383824 /nfs/dbraw/zinc/38/38/24/358383824.db2.gz GZXIAFFFVGNIRC-CYBMUJFWSA-N 2 0 245.326 0.305 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000044467060 358387858 /nfs/dbraw/zinc/38/78/58/358387858.db2.gz GTCVIAMSAKOIGZ-GFCCVEGCSA-N 2 0 233.315 0.338 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044538971 358390769 /nfs/dbraw/zinc/39/07/69/358390769.db2.gz ORXBUXDQHXYJHM-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538929 358390974 /nfs/dbraw/zinc/39/09/74/358390974.db2.gz YRRBAEBKCVGKKH-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000230711909 358410750 /nfs/dbraw/zinc/41/07/50/358410750.db2.gz QXFJXCFRCMDGGZ-ZDUSSCGKSA-N 2 0 241.379 0.929 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726850 358392308 /nfs/dbraw/zinc/39/23/08/358392308.db2.gz JDWJJYVBOWIYMG-NSHDSACASA-N 2 0 239.363 0.727 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000044752355 358393105 /nfs/dbraw/zinc/39/31/05/358393105.db2.gz PRLICXQLUJAGHF-JTQLQIEISA-N 2 0 227.352 0.429 20 0 BCADRP CO[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CC[C@H]1C ZINC000299991050 358420867 /nfs/dbraw/zinc/42/08/67/358420867.db2.gz CYVDYUQFNDELQS-OLZOCXBDSA-N 2 0 241.379 0.248 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@H](C)CCCC[NH3+] ZINC000418418863 358432289 /nfs/dbraw/zinc/43/22/89/358432289.db2.gz YFQCEFLLMMQRIW-MNOVXSKESA-N 2 0 244.383 0.786 20 0 BCADRP COC[C@@H](CCO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623427570 358437155 /nfs/dbraw/zinc/43/71/55/358437155.db2.gz DFQKODREZNSWOO-VXGBXAGGSA-N 2 0 244.379 0.846 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCOCC1 ZINC000219314374 134281254 /nfs/dbraw/zinc/28/12/54/134281254.db2.gz AEECGAXMZHSIBZ-LBPRGKRZSA-N 2 0 230.352 0.723 20 0 BCADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cnccn1 ZINC000219318751 134281349 /nfs/dbraw/zinc/28/13/49/134281349.db2.gz LRTSLMQPXAHMSW-NSHDSACASA-N 2 0 238.335 0.705 20 0 BCADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccnn1C ZINC000219305890 134281585 /nfs/dbraw/zinc/28/15/85/134281585.db2.gz QAOQBGIRWQXIIW-LLVKDONJSA-N 2 0 240.351 0.649 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[N@H+](C)CC1 ZINC000086270765 358567111 /nfs/dbraw/zinc/56/71/11/358567111.db2.gz DWYSSELZBUHJKG-QWRGUYRKSA-N 2 0 225.336 0.149 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000086271516 358574370 /nfs/dbraw/zinc/57/43/70/358574370.db2.gz UZLMEFFWOCYVLS-ZJUUUORDSA-N 2 0 227.352 0.441 20 0 BCADRP CC[NH+]1CCC([NH2+]CCn2cccn2)CC1 ZINC000042538624 358525851 /nfs/dbraw/zinc/52/58/51/358525851.db2.gz HIQHCFUGJZBPDI-UHFFFAOYSA-N 2 0 222.336 0.957 20 0 BCADRP C[NH+](C)CC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175444972 134287061 /nfs/dbraw/zinc/28/70/61/134287061.db2.gz FXQWUWOBTKAGCN-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000131671674 358688168 /nfs/dbraw/zinc/68/81/68/358688168.db2.gz YZEFWRHXQGSWBM-NSHDSACASA-N 2 0 219.288 0.237 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000131671464 358688212 /nfs/dbraw/zinc/68/82/12/358688212.db2.gz YZEFWRHXQGSWBM-LLVKDONJSA-N 2 0 219.288 0.237 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559605 358694195 /nfs/dbraw/zinc/69/41/95/358694195.db2.gz IBSKSKJEBVLHKB-DCAQKATOSA-N 2 0 229.368 0.816 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559711 358694889 /nfs/dbraw/zinc/69/48/89/358694889.db2.gz OHVBWAQFVGFWDU-ZJUUUORDSA-N 2 0 247.408 0.523 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559710 358694991 /nfs/dbraw/zinc/69/49/91/358694991.db2.gz OHVBWAQFVGFWDU-UWVGGRQHSA-N 2 0 247.408 0.523 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559631 358695180 /nfs/dbraw/zinc/69/51/80/358695180.db2.gz XKPCFEPKSPLAQH-JQWIXIFHSA-N 2 0 229.368 0.960 20 0 BCADRP C[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)C[C@H](C)[NH2+]1 ZINC000131855007 358697405 /nfs/dbraw/zinc/69/74/05/358697405.db2.gz DKSUIFOQNQQCGZ-QWRGUYRKSA-N 2 0 247.342 0.968 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC000133732533 358766509 /nfs/dbraw/zinc/76/65/09/358766509.db2.gz OLALZBCTINCZST-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000133784121 358767427 /nfs/dbraw/zinc/76/74/27/358767427.db2.gz JWYREZNXSUNHOW-MNOVXSKESA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000050463138 358730274 /nfs/dbraw/zinc/73/02/74/358730274.db2.gz HESBESWQYOYFSG-MNOVXSKESA-N 2 0 225.336 0.134 20 0 BCADRP COC[C@H](C)[NH2+]C[C@H]1CN(CC(C)C)CCO1 ZINC000176018116 134290179 /nfs/dbraw/zinc/29/01/79/134290179.db2.gz DWYSWQIIEZHKRI-STQMWFEESA-N 2 0 244.379 0.968 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132930631 358740361 /nfs/dbraw/zinc/74/03/61/358740361.db2.gz BFDMCUGFKJVUTR-MXWKQRLJSA-N 2 0 227.352 0.713 20 0 BCADRP CN1CCN(C(=O)C[N@@H+]2CCCC2(C)C)CC1 ZINC000180470882 366458966 /nfs/dbraw/zinc/45/89/66/366458966.db2.gz XCKRWYYETKSIOP-UHFFFAOYSA-N 2 0 239.363 0.635 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000134210143 358784201 /nfs/dbraw/zinc/78/42/01/358784201.db2.gz ZIQKGDIELGLKJJ-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP CC[C@]1(C(=O)N2CCC[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000134366697 358788431 /nfs/dbraw/zinc/78/84/31/358788431.db2.gz YMJVFDVPFJOITL-WCQYABFASA-N 2 0 239.363 0.716 20 0 BCADRP CC[C@@]1(C(=O)NC[C@@H](C)C[NH2+]C)CCC[NH2+]1 ZINC000134368322 358788696 /nfs/dbraw/zinc/78/86/96/358788696.db2.gz VRKKLNMAKIIBMD-JQWIXIFHSA-N 2 0 227.352 0.490 20 0 BCADRP [NH3+][C@@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)C1CC1 ZINC000578236516 366464978 /nfs/dbraw/zinc/46/49/78/366464978.db2.gz XVXFCVVRPAZBDO-ZDUSSCGKSA-N 2 0 245.326 0.757 20 0 BCADRP [NH3+]CCNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000054443709 358863044 /nfs/dbraw/zinc/86/30/44/358863044.db2.gz VMNZVHKZMNJFPV-UHFFFAOYSA-N 2 0 236.319 0.101 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000578320888 366505201 /nfs/dbraw/zinc/50/52/01/366505201.db2.gz JBMLYKNNMDNHBZ-TUAOUCFPSA-N 2 0 241.379 0.770 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000059931449 358921536 /nfs/dbraw/zinc/92/15/36/358921536.db2.gz MQDDIDPOWSNXDI-ONGXEEELSA-N 2 0 227.352 0.570 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061645159 358936296 /nfs/dbraw/zinc/93/62/96/358936296.db2.gz KZVFOMIEACJHID-MNOVXSKESA-N 2 0 227.352 0.666 20 0 BCADRP C[C@@H]1COCCN1CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000578337744 366528181 /nfs/dbraw/zinc/52/81/81/366528181.db2.gz PSTNUMVVLQSKEA-JHJVBQTASA-N 2 0 241.379 0.567 20 0 BCADRP COC(=O)CCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000069627123 359030693 /nfs/dbraw/zinc/03/06/93/359030693.db2.gz JVJAXLCSKYHJNR-QWRGUYRKSA-N 2 0 228.336 0.999 20 0 BCADRP C[NH2+]C[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000309662052 358988999 /nfs/dbraw/zinc/98/89/99/358988999.db2.gz YFPLGOPYURXNFR-VXGBXAGGSA-N 2 0 211.353 0.527 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000572282489 359348157 /nfs/dbraw/zinc/34/81/57/359348157.db2.gz DFYJXZZLBQACSG-CIUDSAMLSA-N 2 0 216.329 0.101 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000423471385 192784958 /nfs/dbraw/zinc/78/49/58/192784958.db2.gz FDHWDAYJUPNAIK-KXUCPTDWSA-N 2 0 233.306 0.571 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000423483937 192790390 /nfs/dbraw/zinc/79/03/90/192790390.db2.gz QKBRMYKUCWYJJP-IVZWLZJFSA-N 2 0 233.306 0.701 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccnc(C[NH3+])c1 ZINC000574987706 359522659 /nfs/dbraw/zinc/52/26/59/359522659.db2.gz MGNHLVDNLCMZOV-BXKDBHETSA-N 2 0 248.330 0.268 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000423685750 192823627 /nfs/dbraw/zinc/82/36/27/192823627.db2.gz SVJBRLMXEMVJFI-KXUCPTDWSA-N 2 0 215.341 0.459 20 0 BCADRP C[C@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000580443185 359551661 /nfs/dbraw/zinc/55/16/61/359551661.db2.gz MORDDQJSKFMRQM-JQWIXIFHSA-N 2 0 225.336 0.102 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[NH3+] ZINC000424013442 192853969 /nfs/dbraw/zinc/85/39/69/192853969.db2.gz WKJLVVLUUJACFJ-UWVGGRQHSA-N 2 0 213.325 0.276 20 0 BCADRP CC(=O)[C@](C)(O)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000450854437 202290612 /nfs/dbraw/zinc/29/06/12/202290612.db2.gz KLCNMKGAXSWLIT-CHWSQXEVSA-N 2 0 242.363 0.743 20 0 BCADRP O=C(C[NH2+]C1CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000578489194 366579268 /nfs/dbraw/zinc/57/92/68/366579268.db2.gz LRSJKKPZDBTBNJ-NSHDSACASA-N 2 0 223.320 0.091 20 0 BCADRP C[NH2+]CCCN(C)C(=O)CC1CC[NH2+]CC1 ZINC000087471664 366583069 /nfs/dbraw/zinc/58/30/69/366583069.db2.gz VBDNHEJRPNBHAH-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000578534955 366593825 /nfs/dbraw/zinc/59/38/25/366593825.db2.gz YGLIDZXBQLIJKX-OUAUKWLOSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)N(C)CCC[NH3+] ZINC000578551846 366598591 /nfs/dbraw/zinc/59/85/91/366598591.db2.gz KMJYWDXOFWXJHU-JTQLQIEISA-N 2 0 230.356 0.317 20 0 BCADRP C[NH2+]CCC[N@H+](C)CCCn1ccnc1 ZINC000087472569 366600511 /nfs/dbraw/zinc/60/05/11/366600511.db2.gz DOLAUWOSXROMMX-UHFFFAOYSA-N 2 0 210.325 0.815 20 0 BCADRP CCCC[NH+]1CCC(NC(=O)C2([NH3+])CC2)CC1 ZINC000088129792 359937469 /nfs/dbraw/zinc/93/74/69/359937469.db2.gz GYMYEARRSFBKRC-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000578749970 366638203 /nfs/dbraw/zinc/63/82/03/366638203.db2.gz UUHSYAIZGIPWTP-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@H]([NH3+])CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000578749800 366638311 /nfs/dbraw/zinc/63/83/11/366638311.db2.gz ITSQNUMQDMPOCN-SRVKXCTJSA-N 2 0 211.353 0.940 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C[NH2+]C3CC3)[C@H]2C1 ZINC000578766059 366643231 /nfs/dbraw/zinc/64/32/31/366643231.db2.gz BVGJGFRNMMTYGO-JQWIXIFHSA-N 2 0 237.347 0.291 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH2+]C3CC3)[C@@H]2C1 ZINC000578766061 366643304 /nfs/dbraw/zinc/64/33/04/366643304.db2.gz BVGJGFRNMMTYGO-ZYHUDNBSSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[C@H](C)[NH3+] ZINC000578879785 366666292 /nfs/dbraw/zinc/66/62/92/366666292.db2.gz ILLFLUZNHGGZCP-MDZLAQPJSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)N(C)CCC[NH3+] ZINC000578908464 366674071 /nfs/dbraw/zinc/67/40/71/366674071.db2.gz DZUWMCMDTHBJBK-VIFPVBQESA-N 2 0 216.329 0.104 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000578864210 366660501 /nfs/dbraw/zinc/66/05/01/366660501.db2.gz VGHBOLDIIQMRHZ-DGCLKSJQSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089460629 360020899 /nfs/dbraw/zinc/02/08/99/360020899.db2.gz DFCDKGJZOZPAJV-IJLUTSLNSA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000089147816 359994051 /nfs/dbraw/zinc/99/40/51/359994051.db2.gz VOUBHNFOBQZXSQ-CHWSQXEVSA-N 2 0 241.379 0.426 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000089147817 359994127 /nfs/dbraw/zinc/99/41/27/359994127.db2.gz VOUBHNFOBQZXSQ-QWHCGFSZSA-N 2 0 241.379 0.426 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000612872858 360149063 /nfs/dbraw/zinc/14/90/63/360149063.db2.gz WOLRWFKMHJOFGE-JQWIXIFHSA-N 2 0 240.351 0.132 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000092136970 360153959 /nfs/dbraw/zinc/15/39/59/360153959.db2.gz YRCCNJCLAISKJL-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612875443 360135364 /nfs/dbraw/zinc/13/53/64/360135364.db2.gz FPZKDUYYEGVRSJ-PWSUYJOCSA-N 2 0 242.367 0.378 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612910885 360173961 /nfs/dbraw/zinc/17/39/61/360173961.db2.gz AXZNMNJVUHFMGZ-NSHDSACASA-N 2 0 228.340 0.037 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612917712 360178068 /nfs/dbraw/zinc/17/80/68/360178068.db2.gz IODIVVNPKHEGHF-CMPLNLGQSA-N 2 0 242.367 0.555 20 0 BCADRP CC(C)([NH3+])CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612989486 360239911 /nfs/dbraw/zinc/23/99/11/360239911.db2.gz ZAPAMPAEPHXMTF-SECBINFHSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@@H](NC(=O)N[C@@H]1CC12CC[NH2+]CC2)[C@H](C)[NH3+] ZINC000612993545 360248322 /nfs/dbraw/zinc/24/83/22/360248322.db2.gz NVCVUHRFTPQTHO-IVZWLZJFSA-N 2 0 240.351 0.163 20 0 BCADRP [NH3+]CCCOC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000094070573 360294406 /nfs/dbraw/zinc/29/44/06/360294406.db2.gz VBZNKGVELCCPSI-GFCCVEGCSA-N 2 0 242.363 0.853 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000517368763 259514917 /nfs/dbraw/zinc/51/49/17/259514917.db2.gz RZJJQCGCDOYTBH-GFCCVEGCSA-N 2 0 233.315 0.579 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000154394250 360796422 /nfs/dbraw/zinc/79/64/22/360796422.db2.gz GAGUSUDQONWLQI-NXEZZACHSA-N 2 0 213.325 0.454 20 0 BCADRP CC[NH2+][C@H](C)CNC[C@H]([NH3+])CC(C)C ZINC000414953671 200785199 /nfs/dbraw/zinc/78/51/99/200785199.db2.gz JZKBAIYZELFURS-GHMZBOCLSA-N 2 0 201.358 0.947 20 0 BCADRP CC[NH2+]CCNC(=O)N(CC)CCC[NH+](C)C ZINC000418323012 200833709 /nfs/dbraw/zinc/83/37/09/200833709.db2.gz GPYKYOIBGFKQDZ-UHFFFAOYSA-N 2 0 244.383 0.579 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000418006200 200825218 /nfs/dbraw/zinc/82/52/18/200825218.db2.gz PXYYWBVIHAAXGS-GMTAPVOTSA-N 2 0 242.367 0.458 20 0 BCADRP [NH3+]CCCOCC[NH2+]Cc1ccncc1 ZINC000629397905 361047740 /nfs/dbraw/zinc/04/77/40/361047740.db2.gz GJPSSKCTFZWSOS-UHFFFAOYSA-N 2 0 209.293 0.537 20 0 BCADRP CCC[NH+]1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629398257 361049139 /nfs/dbraw/zinc/04/91/39/361049139.db2.gz PVQVRRJYJBRVCU-UHFFFAOYSA-N 3 0 243.395 0.816 20 0 BCADRP C[C@H]1OCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629399160 361049199 /nfs/dbraw/zinc/04/91/99/361049199.db2.gz NDFWUKSKLZAJMI-NXEZZACHSA-N 2 0 202.298 0.119 20 0 BCADRP CCOC[C@@H](C)[NH2+]CCOCC[NH2+]C ZINC000629404103 361050390 /nfs/dbraw/zinc/05/03/90/361050390.db2.gz JMFAGIMBNWUYSJ-SNVBAGLBSA-N 2 0 204.314 0.237 20 0 BCADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629399845 361050769 /nfs/dbraw/zinc/05/07/69/361050769.db2.gz CNXYSJFTBMWVBZ-YPMHNXCESA-N 2 0 241.379 0.424 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000629401441 361051681 /nfs/dbraw/zinc/05/16/81/361051681.db2.gz AQTSKNQNMUIGEY-AAEUAGOBSA-N 2 0 241.379 0.295 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000629401443 361051734 /nfs/dbraw/zinc/05/17/34/361051734.db2.gz AQTSKNQNMUIGEY-DGCLKSJQSA-N 2 0 241.379 0.295 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000629405900 361053986 /nfs/dbraw/zinc/05/39/86/361053986.db2.gz XHNCYPJOWKGGDH-STQMWFEESA-N 3 0 241.379 0.439 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000629405818 361054205 /nfs/dbraw/zinc/05/42/05/361054205.db2.gz UIIWRYRTNMEJFJ-MNOVXSKESA-N 2 0 216.325 0.380 20 0 BCADRP C1C[C@@H]2C[C@@H](N[C@@H]3CC[NH2+]C3)CC[N@@H+]2C1 ZINC000157432708 361082355 /nfs/dbraw/zinc/08/23/55/361082355.db2.gz OMHPFRBJLVWDAJ-QJPTWQEYSA-N 2 0 209.337 0.565 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629521074 361118150 /nfs/dbraw/zinc/11/81/50/361118150.db2.gz KZLILTQILAWTFV-VHSXEESVSA-N 2 0 216.325 0.507 20 0 BCADRP [NH3+]C[C@H](CN1CC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000424275407 200897801 /nfs/dbraw/zinc/89/78/01/200897801.db2.gz XBWFPUVTLLRXPJ-DGCLKSJQSA-N 2 0 237.322 0.901 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000424182697 200879378 /nfs/dbraw/zinc/87/93/78/200879378.db2.gz ZVHCXVZFVXWLEN-GRYCIOLGSA-N 2 0 237.347 0.182 20 0 BCADRP CN(CCC[NH3+])CC(=O)NCC(C)(C)C ZINC000629515912 361109584 /nfs/dbraw/zinc/10/95/84/361109584.db2.gz VXWUOTJNJRBHRH-UHFFFAOYSA-N 2 0 215.341 0.429 20 0 BCADRP CCn1nnc(C)c1CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000629516445 361114142 /nfs/dbraw/zinc/11/41/42/361114142.db2.gz GAIXHRMQGPTNPY-GXSJLCMTSA-N 2 0 237.351 0.776 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccnc1N ZINC000629516503 361114454 /nfs/dbraw/zinc/11/44/54/361114454.db2.gz ILZYWBZVCGVBII-ZJUUUORDSA-N 2 0 220.320 0.833 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCOC1CCOCC1 ZINC000629516543 361115462 /nfs/dbraw/zinc/11/54/62/361115462.db2.gz JUOJRSAUIYVFKN-NWDGAFQWSA-N 2 0 242.363 0.851 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(C)C1=O ZINC000629520250 361116737 /nfs/dbraw/zinc/11/67/37/361116737.db2.gz VJKIJAGJAVPHCB-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424217958 200890471 /nfs/dbraw/zinc/89/04/71/200890471.db2.gz PMRXKFPCWHQSCQ-IRCOFANPSA-N 2 0 239.363 0.890 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000629528494 361137344 /nfs/dbraw/zinc/13/73/44/361137344.db2.gz AMYXYVDGDCGVHG-NWDGAFQWSA-N 3 0 229.368 0.295 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)[C@H](C)OC ZINC000629528762 361138025 /nfs/dbraw/zinc/13/80/25/361138025.db2.gz IRTFONZLJJDPEC-ZJUUUORDSA-N 2 0 204.314 0.235 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cnccn1 ZINC000629529209 361138055 /nfs/dbraw/zinc/13/80/55/361138055.db2.gz VGVKOFWUYRGDGF-SNVBAGLBSA-N 2 0 224.308 0.363 20 0 BCADRP [NH3+]C1(C(=O)N2CCC[N@@H+](C3CC3)CC2)CC1 ZINC000378200065 181324312 /nfs/dbraw/zinc/32/43/12/181324312.db2.gz CFEQRJCOHSBQIZ-UHFFFAOYSA-N 2 0 223.320 0.174 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)Cc1cnccn1 ZINC000629530280 361144465 /nfs/dbraw/zinc/14/44/65/361144465.db2.gz BNDXABGHWYFPFU-NSHDSACASA-N 2 0 238.335 0.233 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000629531035 361145826 /nfs/dbraw/zinc/14/58/26/361145826.db2.gz YCPWCCFZRMKUFI-QWRGUYRKSA-N 2 0 238.335 0.715 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cccnc1 ZINC000629529970 361147598 /nfs/dbraw/zinc/14/75/98/361147598.db2.gz RSNOJTBEGLEHFW-LLVKDONJSA-N 2 0 223.320 0.968 20 0 BCADRP C[NH2+]CCOCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000629531446 361149077 /nfs/dbraw/zinc/14/90/77/361149077.db2.gz LEZNMITWLLIEMH-RYUDHWBXSA-N 2 0 229.368 0.343 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000629531362 361149228 /nfs/dbraw/zinc/14/92/28/361149228.db2.gz IIZSIOVCFMAWIK-NWDGAFQWSA-N 3 0 229.368 0.472 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000629531813 361150406 /nfs/dbraw/zinc/15/04/06/361150406.db2.gz YWRVLSHXLWZZML-VXGBXAGGSA-N 3 0 229.368 0.330 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CCCC1 ZINC000375940828 181324587 /nfs/dbraw/zinc/32/45/87/181324587.db2.gz IGHIOLGIAYTSJV-GHMZBOCLSA-N 2 0 237.347 0.468 20 0 BCADRP C[N@H+](CCOC1CCOCC1)C1CC([NH3+])C1 ZINC000629532865 361155912 /nfs/dbraw/zinc/15/59/12/361155912.db2.gz WZJNJMVSRZOYAN-UHFFFAOYSA-N 2 0 228.336 0.604 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000629523356 361124464 /nfs/dbraw/zinc/12/44/64/361124464.db2.gz DUEFXVLWASTMMU-DOLQZWNJSA-N 2 0 211.309 0.110 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000629524677 361125729 /nfs/dbraw/zinc/12/57/29/361125729.db2.gz SXRQZRJIHGQBST-PTPVROBZSA-N 2 0 223.320 0.123 20 0 BCADRP [NH3+][C@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000634271400 361169174 /nfs/dbraw/zinc/16/91/74/361169174.db2.gz UGJNYDANYJGDEO-WDEREUQCSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@@H](O)CC[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000158589355 361205191 /nfs/dbraw/zinc/20/51/91/361205191.db2.gz NFEATJYFRUDVGC-GHMZBOCLSA-N 2 0 200.326 0.689 20 0 BCADRP C[NH2+]C1(CNC(=O)[C@H](C)[NH+](C)C)CCC1 ZINC000640380090 361190191 /nfs/dbraw/zinc/19/01/91/361190191.db2.gz WIKNIQCVUGNARW-VIFPVBQESA-N 2 0 213.325 0.195 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CCCCC1 ZINC000368384281 181324970 /nfs/dbraw/zinc/32/49/70/181324970.db2.gz IKVQZXHIXVRJMC-WDEREUQCSA-N 2 0 237.347 0.468 20 0 BCADRP CC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158637382 361206475 /nfs/dbraw/zinc/20/64/75/361206475.db2.gz RNIOBQQSIHGYID-TUAOUCFPSA-N 2 0 212.337 0.974 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424469861 200928599 /nfs/dbraw/zinc/92/85/99/200928599.db2.gz PUAQEQGHQSSLKS-UTINFBMNSA-N 2 0 228.340 0.291 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634269480 361165510 /nfs/dbraw/zinc/16/55/10/361165510.db2.gz HPPBCRFPJUNWOL-WDEREUQCSA-N 2 0 240.351 0.261 20 0 BCADRP O[C@H](Cc1ccccc1)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000613208447 361227488 /nfs/dbraw/zinc/22/74/88/361227488.db2.gz BBQYVGNVSJHSCF-RBSFLKMASA-N 2 0 246.354 0.741 20 0 BCADRP Cn1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1=O ZINC000613211247 361274049 /nfs/dbraw/zinc/27/40/49/361274049.db2.gz MMLCSCUXZWEEHN-VXGBXAGGSA-N 2 0 233.315 0.037 20 0 BCADRP CC[NH2+]CCCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000579004503 366692763 /nfs/dbraw/zinc/69/27/63/366692763.db2.gz FMXXENFTQLARRK-NSHDSACASA-N 2 0 227.352 0.492 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000579007942 366694038 /nfs/dbraw/zinc/69/40/38/366694038.db2.gz HZELQYGZBOCTOA-SNVBAGLBSA-N 2 0 235.331 0.760 20 0 BCADRP CCCN(C(=O)[C@@H]([NH3+])CC(F)F)[C@H]1CC[NH2+]C1 ZINC000579109112 366712523 /nfs/dbraw/zinc/71/25/23/366712523.db2.gz OAASYQSSHQMBAN-IUCAKERBSA-N 2 0 249.305 0.569 20 0 BCADRP C[C@@]1(C(=O)N2CCC3(CC[NH2+]3)CC2)CCC[NH2+]1 ZINC000579111812 366713208 /nfs/dbraw/zinc/71/32/08/366713208.db2.gz ULEZGCQSVPOIPT-LBPRGKRZSA-N 2 0 237.347 0.483 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]([NH3+])C1)[NH+](CC)CC ZINC000428378306 201012272 /nfs/dbraw/zinc/01/22/72/201012272.db2.gz UMVOBXWRSIQFIK-GHMZBOCLSA-N 2 0 227.352 0.666 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000579215965 366734920 /nfs/dbraw/zinc/73/49/20/366734920.db2.gz UVPGVDIBIMEALJ-GRYCIOLGSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]([NH3+])C1CCC1 ZINC000579228975 366739866 /nfs/dbraw/zinc/73/98/66/366739866.db2.gz UBZFMZNGVFACLK-FXPVBKGRSA-N 2 0 225.336 0.310 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)C)CC1 ZINC000067573567 370685323 /nfs/dbraw/zinc/68/53/23/370685323.db2.gz RBURLDRLOKYMDG-UHFFFAOYSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H]([NH3+])CCNC1CC[NH+](C2CC2)CC1 ZINC000622044791 370674212 /nfs/dbraw/zinc/67/42/12/370674212.db2.gz SPDXQRKJYPXNSD-JTQLQIEISA-N 2 0 211.353 0.940 20 0 BCADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])C(C)(C)n1cncn1 ZINC000622044328 370676021 /nfs/dbraw/zinc/67/60/21/370676021.db2.gz AUYHQDVPRKRVSN-VHSXEESVSA-N 2 0 225.340 0.729 20 0 BCADRP C[C@H]([NH3+])CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000622045391 370680058 /nfs/dbraw/zinc/68/00/58/370680058.db2.gz QYOVQNXLTALIMF-TUAOUCFPSA-N 2 0 211.353 0.940 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC(C)(C)C[NH3+] ZINC000428915351 201050347 /nfs/dbraw/zinc/05/03/47/201050347.db2.gz JAKCLDPSKYAFQL-AOOOYVTPSA-N 2 0 227.352 0.713 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000429132793 201070039 /nfs/dbraw/zinc/07/00/39/201070039.db2.gz FMIUTMAJBGWRJN-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428983120 201054962 /nfs/dbraw/zinc/05/49/62/201054962.db2.gz UYIOECQVOJPVTM-TUAOUCFPSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000428983118 201055475 /nfs/dbraw/zinc/05/54/75/201055475.db2.gz UYIOECQVOJPVTM-SRVKXCTJSA-N 2 0 241.379 0.864 20 0 BCADRP CC[C@H](C(=O)NCC[C@H](C)[NH3+])[NH+](CC)CC ZINC000429035055 201061448 /nfs/dbraw/zinc/06/14/48/201061448.db2.gz LKLCPBWYWQTAHB-WDEREUQCSA-N 2 0 229.368 0.960 20 0 BCADRP C[C@@H]([NH3+])CCNC(=O)C1CC[NH+](C)CC1 ZINC000429043749 201063207 /nfs/dbraw/zinc/06/32/07/201063207.db2.gz BKWQETNBPAGKFM-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H](C(=O)NCC[NH2+]C)[NH+](CC)CC ZINC000429086676 201066046 /nfs/dbraw/zinc/06/60/46/201066046.db2.gz HODFHCWIDNKMGE-SNVBAGLBSA-N 2 0 215.341 0.442 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)[NH+](CC)CC ZINC000429082175 201066970 /nfs/dbraw/zinc/06/69/70/201066970.db2.gz RHJBSFSLCIBXBM-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000429167780 201077020 /nfs/dbraw/zinc/07/70/20/201077020.db2.gz YQRPDQRAKPQQSN-TUAOUCFPSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)[NH+](C)C ZINC000429176656 201077474 /nfs/dbraw/zinc/07/74/74/201077474.db2.gz YPLNIDAUQULIJF-SDDRHHMPSA-N 2 0 241.379 0.768 20 0 BCADRP [NH3+]C1(C[NH2+]CCC(=O)Nc2cccnc2)CCC1 ZINC000358356482 181331843 /nfs/dbraw/zinc/33/18/43/181331843.db2.gz MLUKQHNVIKIJRY-UHFFFAOYSA-N 2 0 248.330 0.881 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000429241274 201084054 /nfs/dbraw/zinc/08/40/54/201084054.db2.gz LDIDKLGJASPCAA-DCAQKATOSA-N 2 0 227.352 0.476 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000629539224 361404940 /nfs/dbraw/zinc/40/49/40/361404940.db2.gz PADIDZZLWMSGFV-NWDGAFQWSA-N 3 0 229.368 0.459 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000429393400 201106895 /nfs/dbraw/zinc/10/68/95/201106895.db2.gz KFESKPJJYQUWNH-UMNHJUIQSA-N 2 0 227.352 0.713 20 0 BCADRP NC(=O)CC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000579292777 366755130 /nfs/dbraw/zinc/75/51/30/366755130.db2.gz ZBPIPQMBSWUCMU-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629539438 361406152 /nfs/dbraw/zinc/40/61/52/361406152.db2.gz RFZLJSOFTUPEQV-NWDGAFQWSA-N 3 0 229.368 0.330 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000429289534 201094072 /nfs/dbraw/zinc/09/40/72/201094072.db2.gz BZEWFNDIAVBHGW-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000429289533 201094877 /nfs/dbraw/zinc/09/48/77/201094877.db2.gz BZEWFNDIAVBHGW-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]([NH2+]CCOCCC[NH3+])[C@@H]1CCCO1 ZINC000629537166 361400680 /nfs/dbraw/zinc/40/06/80/361400680.db2.gz JAICSHADXCNUEW-QWRGUYRKSA-N 2 0 216.325 0.509 20 0 BCADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccncn1 ZINC000629537200 361401195 /nfs/dbraw/zinc/40/11/95/361401195.db2.gz IMPXOEMOCDQZFB-SNVBAGLBSA-N 2 0 224.308 0.493 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629539440 361406314 /nfs/dbraw/zinc/40/63/14/361406314.db2.gz RFZLJSOFTUPEQV-VXGBXAGGSA-N 3 0 229.368 0.330 20 0 BCADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cnn(C)c1 ZINC000629538026 361402328 /nfs/dbraw/zinc/40/23/28/361402328.db2.gz LPAQDPNROBXANJ-SNVBAGLBSA-N 2 0 226.324 0.436 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000429313931 201099925 /nfs/dbraw/zinc/09/99/25/201099925.db2.gz GYEMARYCCQKBSY-LLVKDONJSA-N 2 0 229.368 0.818 20 0 BCADRP C[C@@H](C[C@H]1COCC[NH2+]1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535408 361410290 /nfs/dbraw/zinc/41/02/90/361410290.db2.gz CENWEXBLFQADPQ-VOAKCMCISA-N 2 0 241.379 0.484 20 0 BCADRP CCn1ccnc1[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629535523 361410356 /nfs/dbraw/zinc/41/03/56/361410356.db2.gz CMLOBUCBRDIDJD-NSHDSACASA-N 2 0 240.351 0.919 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629543425 361410995 /nfs/dbraw/zinc/41/09/95/361410995.db2.gz BECVGFBLDWRCDW-JHJVBQTASA-N 2 0 241.379 0.303 20 0 BCADRP CC[C@H](C(=O)N[C@H](C[NH3+])C1CC1)[NH+](CC)CC ZINC000429557923 201115917 /nfs/dbraw/zinc/11/59/17/201115917.db2.gz DDPUOSSTCVVWFV-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@@H](C(=O)N(C)CC[NH3+])[C@@H](C)[NH3+] ZINC000579472923 366812300 /nfs/dbraw/zinc/81/23/00/366812300.db2.gz WSEJJPYKYIBHTR-RKDXNWHRSA-N 2 0 201.314 0.023 20 0 BCADRP CO[C@@H]1CCC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629540670 361415649 /nfs/dbraw/zinc/41/56/49/361415649.db2.gz WJLLQQHWKXNQAJ-VXGBXAGGSA-N 2 0 230.352 0.899 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[C@H]1C[NH3+] ZINC000429657903 201123110 /nfs/dbraw/zinc/12/31/10/201123110.db2.gz NCHPYLDGSDTYQC-TUAOUCFPSA-N 2 0 239.363 0.809 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000429650927 201123374 /nfs/dbraw/zinc/12/33/74/201123374.db2.gz QVCVOVFLWWTBPF-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000429657901 201123468 /nfs/dbraw/zinc/12/34/68/201123468.db2.gz NCHPYLDGSDTYQC-IJLUTSLNSA-N 2 0 239.363 0.809 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000629540165 361414132 /nfs/dbraw/zinc/41/41/32/361414132.db2.gz UULOKZPHONCQEM-NEPJUHHUSA-N 2 0 229.368 0.601 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC1(C)CC[NH2+]CC1 ZINC000579452536 366805937 /nfs/dbraw/zinc/80/59/37/366805937.db2.gz RJHQTVCLAOUYCP-UHFFFAOYSA-N 2 0 241.379 0.880 20 0 BCADRP C[C@H]([NH2+]CCOCCC[NH3+])C1CC[NH+](C)CC1 ZINC000629534599 361407473 /nfs/dbraw/zinc/40/74/73/361407473.db2.gz AYIVVIFXMJIWHI-LBPRGKRZSA-N 3 0 243.395 0.672 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])[C@@H]1C ZINC000629534833 361408771 /nfs/dbraw/zinc/40/87/71/361408771.db2.gz AXJAFPQFJINDHW-GMTAPVOTSA-N 2 0 200.326 0.986 20 0 BCADRP C[NH2+]C[C@H]1CCCN(CC2(C[NH3+])CC2)C1 ZINC000579473313 366821138 /nfs/dbraw/zinc/82/11/38/366821138.db2.gz PURPCGQJFIMBTD-LLVKDONJSA-N 2 0 211.353 0.657 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000579475457 366823878 /nfs/dbraw/zinc/82/38/78/366823878.db2.gz VTYPWSVMABGRHO-HBNTYKKESA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)CC[NH2+]1 ZINC000579475693 366823905 /nfs/dbraw/zinc/82/39/05/366823905.db2.gz GKPLALQYHAEVBD-IVZWLZJFSA-N 2 0 227.352 0.617 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000579475455 366823937 /nfs/dbraw/zinc/82/39/37/366823937.db2.gz VTYPWSVMABGRHO-AXFHLTTASA-N 2 0 227.352 0.522 20 0 BCADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629555707 361448994 /nfs/dbraw/zinc/44/89/94/361448994.db2.gz BECVGFBLDWRCDW-AVGNSLFASA-N 2 0 241.379 0.303 20 0 BCADRP C[C@H](CCCCO)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629546617 361429430 /nfs/dbraw/zinc/42/94/30/361429430.db2.gz UTIDLRAJOOXTLG-OUAUKWLOSA-N 2 0 200.326 0.878 20 0 BCADRP CC[C@H](N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000629547594 361431959 /nfs/dbraw/zinc/43/19/59/361431959.db2.gz SPZDNGBOWGCJDG-YFKTTZPYSA-N 2 0 211.353 0.857 20 0 BCADRP C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1c[nH+]ccc1N ZINC000629548439 361433430 /nfs/dbraw/zinc/43/34/30/361433430.db2.gz ZRNDOWNMXZFWBE-VDDIYKPWSA-N 2 0 220.320 0.895 20 0 BCADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000629553587 361438559 /nfs/dbraw/zinc/43/85/59/361438559.db2.gz AKGZWHBZUBLEMQ-MRVWCRGKSA-N 2 0 233.359 0.896 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CCOCCC[NH3+])[C@@H](C)C1 ZINC000629541604 361416670 /nfs/dbraw/zinc/41/66/70/361416670.db2.gz RVJVSKZFMJTSRG-STQMWFEESA-N 3 0 243.395 0.672 20 0 BCADRP C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C[NH2+]1 ZINC000629542013 361417676 /nfs/dbraw/zinc/41/76/76/361417676.db2.gz WRZRIRZSOWQVPQ-KXNHARMFSA-N 2 0 211.353 0.986 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542118 361418044 /nfs/dbraw/zinc/41/80/44/361418044.db2.gz YPCNFOHLKGZUPQ-WHOHXGKFSA-N 2 0 211.353 0.667 20 0 BCADRP CC[C@@H]([NH2+]CCOCCC[NH3+])[C@H]1CCOC1 ZINC000629541897 361418485 /nfs/dbraw/zinc/41/84/85/361418485.db2.gz SUYRXTYXNSHZOF-NWDGAFQWSA-N 2 0 230.352 0.757 20 0 BCADRP Cn1nncc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430947019 201158807 /nfs/dbraw/zinc/15/88/07/201158807.db2.gz CKTIRATXFKRXTP-UHFFFAOYSA-N 2 0 235.335 0.391 20 0 BCADRP CCCCNC(=O)CC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430940647 201159381 /nfs/dbraw/zinc/15/93/81/201159381.db2.gz QELDXBAKVMEJLI-NSHDSACASA-N 2 0 227.352 0.573 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000433179518 201162655 /nfs/dbraw/zinc/16/26/55/201162655.db2.gz YJUYTPCDQPHQHX-GMTAPVOTSA-N 2 0 227.352 0.426 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629594189 361485179 /nfs/dbraw/zinc/48/51/79/361485179.db2.gz MBVMIQWFWSPUAS-BETUJISGSA-N 2 0 239.363 0.396 20 0 BCADRP COC[C@@]1(C)C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000629594339 361486105 /nfs/dbraw/zinc/48/61/05/361486105.db2.gz ADOOGCKAZZZEPR-QWHCGFSZSA-N 2 0 242.363 0.723 20 0 BCADRP [NH3+]CCN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563446 361455272 /nfs/dbraw/zinc/45/52/72/361455272.db2.gz PVMDPVRZAPPUOS-YUMQZZPRSA-N 2 0 225.258 0.404 20 0 BCADRP [NH3+]CCN1CCCc2cccc(C[NH3+])c21 ZINC000629559624 361455442 /nfs/dbraw/zinc/45/54/42/361455442.db2.gz GLPFSVOKULVJEN-UHFFFAOYSA-N 2 0 205.305 0.857 20 0 BCADRP [NH3+]CCCN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563002 361457934 /nfs/dbraw/zinc/45/79/34/361457934.db2.gz ORPYLSWOUMKNKN-DTWKUNHWSA-N 2 0 239.285 0.794 20 0 BCADRP CC[C@@H](C(=O)N[C@@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000629612821 361498772 /nfs/dbraw/zinc/49/87/72/361498772.db2.gz IJWMXDOBISQJJF-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@H](C(=O)N[C@@H](C)CCC[NH3+])[NH+](C)C ZINC000629612587 361499253 /nfs/dbraw/zinc/49/92/53/361499253.db2.gz DQNYEWCWYQKUHL-VHSXEESVSA-N 2 0 215.341 0.570 20 0 BCADRP CC[C@@H](C(=O)N1CCC[NH2+]CC1)[NH+](C)C ZINC000629611211 361501732 /nfs/dbraw/zinc/50/17/32/361501732.db2.gz QGJQLHJEHVGLDB-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP CC[C@@H](C(=O)NCCC[NH2+]C)[NH+](C)C ZINC000629611298 361501871 /nfs/dbraw/zinc/50/18/71/361501871.db2.gz QYUNTZORPWVVBG-VIFPVBQESA-N 2 0 201.314 0.052 20 0 BCADRP CC[C@H](C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[NH+](C)C ZINC000629612230 361502307 /nfs/dbraw/zinc/50/23/07/361502307.db2.gz YLXUINAYXMTUNS-GARJFASQSA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@H](C(=O)N1CCC([C@H](C)[NH3+])CC1)[NH+](C)C ZINC000629615587 361505162 /nfs/dbraw/zinc/50/51/62/361505162.db2.gz VVFHDGKHGNMOMG-CMPLNLGQSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@@H](C(=O)NC[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000629615917 361505310 /nfs/dbraw/zinc/50/53/10/361505310.db2.gz ZDJPPVDTHSWEMY-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@H](C(=O)NCCC1CC[NH2+]CC1)[NH+](C)C ZINC000629616130 361506819 /nfs/dbraw/zinc/50/68/19/361506819.db2.gz XRUWRDONTYWSIH-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@](C)(C[NH3+])C1)[NH+](C)C ZINC000629613346 361507708 /nfs/dbraw/zinc/50/77/08/361507708.db2.gz OIPXQZXGRDXYKL-CMPLNLGQSA-N 2 0 227.352 0.524 20 0 BCADRP CC[C@H](C(=O)N1CC[C@](C)(C[NH3+])C1)[NH+](C)C ZINC000629613355 361508065 /nfs/dbraw/zinc/50/80/65/361508065.db2.gz OIPXQZXGRDXYKL-ZYHUDNBSSA-N 2 0 227.352 0.524 20 0 BCADRP CC[C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000629614420 361509293 /nfs/dbraw/zinc/50/92/93/361509293.db2.gz JJRKGZHMQZBJDG-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[NH+](C)C ZINC000629614429 361509926 /nfs/dbraw/zinc/50/99/26/361509926.db2.gz JPNGBVUOYNPKPM-OUAUKWLOSA-N 2 0 227.352 0.535 20 0 BCADRP CC[C@H](C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000629614424 361509941 /nfs/dbraw/zinc/50/99/41/361509941.db2.gz JMISDJLXXVEVLL-SDDRHHMPSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@@H](C(=O)N[C@H](C)CC[NH3+])[NH+](C)C ZINC000629612264 361497620 /nfs/dbraw/zinc/49/76/20/361497620.db2.gz ZWBZDJPTFNZDSF-BDAKNGLRSA-N 2 0 201.314 0.180 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)[NH+](C)C ZINC000629612369 361497731 /nfs/dbraw/zinc/49/77/31/361497731.db2.gz AZUPNRYEAFHJGL-NWDGAFQWSA-N 2 0 241.379 0.914 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC[C@]1(C)CC[NH2+]C1 ZINC000629654978 361559242 /nfs/dbraw/zinc/55/92/42/361559242.db2.gz VCKANDGEKDTSHC-QJPTWQEYSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H]1[C@@H](C)N(C(=O)C2([NH+](C)C)CC2)CCN1C ZINC000613227568 361539056 /nfs/dbraw/zinc/53/90/56/361539056.db2.gz TUYANXMKNCZRSO-GHMZBOCLSA-N 2 0 239.363 0.632 20 0 BCADRP C[C@@H]1[C@H](C)N(C(=O)C2([NH+](C)C)CC2)CCN1C ZINC000613227569 361540927 /nfs/dbraw/zinc/54/09/27/361540927.db2.gz TUYANXMKNCZRSO-MNOVXSKESA-N 2 0 239.363 0.632 20 0 BCADRP C[C@@H]1C[C@@H]1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629653485 361553505 /nfs/dbraw/zinc/55/35/05/361553505.db2.gz OQCHBYVYXQGLPW-HTQZYQBOSA-N 2 0 222.292 0.387 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000629653792 361554168 /nfs/dbraw/zinc/55/41/68/361554168.db2.gz NRYGZPWKOPCJBP-GFCCVEGCSA-N 3 0 229.368 0.154 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000629651379 361556074 /nfs/dbraw/zinc/55/60/74/361556074.db2.gz VIQZPXBIUJZKSN-SDDRHHMPSA-N 2 0 223.364 0.859 20 0 BCADRP CC(C)n1cc(C[N@H+](C)CCOCC[NH3+])cn1 ZINC000629664762 361595475 /nfs/dbraw/zinc/59/54/75/361595475.db2.gz RDXMIRJEHUBGBN-UHFFFAOYSA-N 2 0 240.351 0.871 20 0 BCADRP C(N[C@@H]1CC[NH2+]C1)c1nc2c(s1)C[NH2+]CC2 ZINC000629673868 361596735 /nfs/dbraw/zinc/59/67/35/361596735.db2.gz LORTURLFNDXIJD-MRVPVSSYSA-N 2 0 238.360 0.240 20 0 BCADRP COCc1ccc(C[NH2+]CCOCCC[NH3+])o1 ZINC000629679703 361600172 /nfs/dbraw/zinc/60/01/72/361600172.db2.gz MWQFVVZFNMAXME-UHFFFAOYSA-N 2 0 242.319 0.881 20 0 BCADRP COC[C@H](C)C[NH2+]CCOCCC[NH3+] ZINC000629677822 361600321 /nfs/dbraw/zinc/60/03/21/361600321.db2.gz HNQUMDYASNHFRO-SNVBAGLBSA-N 2 0 204.314 0.224 20 0 BCADRP [NH3+]CCCOCC[NH2+]C[C@H]1CCSC1 ZINC000629680481 361601920 /nfs/dbraw/zinc/60/19/20/361601920.db2.gz RXKJHKYZVUFPTJ-SNVBAGLBSA-N 2 0 218.366 0.695 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000434858635 201243458 /nfs/dbraw/zinc/24/34/58/201243458.db2.gz APQUTIPHXURVGP-NXEZZACHSA-N 2 0 245.392 0.181 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CCC[C@H]2C[NH3+])CCC[NH2+]C1 ZINC000435090989 201249019 /nfs/dbraw/zinc/24/90/19/201249019.db2.gz FTXJWSUEZYLWCD-GVXVVHGQSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000434672555 201231576 /nfs/dbraw/zinc/23/15/76/201231576.db2.gz BKUSVOBLLQKYBO-ONGXEEELSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000434681612 201234384 /nfs/dbraw/zinc/23/43/84/201234384.db2.gz QGSIDZNKAGUJHQ-DCAQKATOSA-N 2 0 227.352 0.842 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC1([NH3+])CCCCC1 ZINC000434680055 201234884 /nfs/dbraw/zinc/23/48/84/201234884.db2.gz SJPSXULKEBIHAP-JTQLQIEISA-N 2 0 227.352 0.892 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CCC[NH2+][C@H]1C)[NH+](C)C ZINC000434703492 201235976 /nfs/dbraw/zinc/23/59/76/201235976.db2.gz UISCCZSTPGPNRC-SDDRHHMPSA-N 2 0 241.379 0.829 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@H](C)COC ZINC000153798552 201251172 /nfs/dbraw/zinc/25/11/72/201251172.db2.gz GRUHGYLQFZYKMN-LLVKDONJSA-N 2 0 218.341 0.579 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435241240 201256928 /nfs/dbraw/zinc/25/69/28/201256928.db2.gz SRMQPKNMVFHMRC-LBPRGKRZSA-N 2 0 239.363 0.680 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435236783 201258214 /nfs/dbraw/zinc/25/82/14/201258214.db2.gz KRAQMWARQOSHDK-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP [NH3+]C1CCC(NC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000051694744 181341019 /nfs/dbraw/zinc/34/10/19/181341019.db2.gz HGIUGLGDAOUPML-VQXHTEKXSA-N 2 0 225.336 0.515 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000051694785 181341249 /nfs/dbraw/zinc/34/12/49/181341249.db2.gz JBZSVIDCFSTBNK-WHXUTIOJSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@H]1CN(CCC[NH2+]C)CC[N@@H+]1CCOC ZINC000435872543 201292830 /nfs/dbraw/zinc/29/28/30/201292830.db2.gz PIJHNPLQJANHSF-ZDUSSCGKSA-N 2 0 243.395 0.639 20 0 BCADRP C[NH2+]CCC[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000435879888 201293668 /nfs/dbraw/zinc/29/36/68/201293668.db2.gz GCFXFLPIMPYKHZ-CHWSQXEVSA-N 2 0 241.379 0.248 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(CCC[NH2+]C)C1 ZINC000435882897 201295013 /nfs/dbraw/zinc/29/50/13/201295013.db2.gz VYTSKGHKHRYJDJ-GFCCVEGCSA-N 2 0 213.369 0.870 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000579482923 366827875 /nfs/dbraw/zinc/82/78/75/366827875.db2.gz KCYMSUUWPPUYEL-OUAUKWLOSA-N 2 0 232.393 0.783 20 0 BCADRP [NH3+]CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000037824220 181348556 /nfs/dbraw/zinc/34/85/56/181348556.db2.gz AWIKEDSOLWQFPP-SNVBAGLBSA-N 2 0 211.309 0.032 20 0 BCADRP [NH3+]CC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000037826916 181348574 /nfs/dbraw/zinc/34/85/74/181348574.db2.gz VLUQCGOEDPWUFC-UHFFFAOYSA-N 2 0 225.336 0.422 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627244734 363848207 /nfs/dbraw/zinc/84/82/07/363848207.db2.gz GVCMONOYNMAQGA-GARJFASQSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000627245651 363849182 /nfs/dbraw/zinc/84/91/82/363849182.db2.gz RDQCZLHSDQJSBK-DTWKUNHWSA-N 2 0 228.340 0.116 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627251445 363872966 /nfs/dbraw/zinc/87/29/66/363872966.db2.gz LCSALVYNLTUJQJ-GHMZBOCLSA-N 2 0 240.351 0.084 20 0 BCADRP CC[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000627251795 363877249 /nfs/dbraw/zinc/87/72/49/363877249.db2.gz ALNOITGUUVWRAN-AXFHLTTASA-N 2 0 240.351 0.117 20 0 BCADRP [NH3+]C1(CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000094295251 487527754 /nfs/dbraw/zinc/52/77/54/487527754.db2.gz ZOMMHFKUKUVEOP-SNVBAGLBSA-N 2 0 237.347 0.611 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653111937 541310207 /nfs/dbraw/zinc/31/02/07/541310207.db2.gz HBLHHICKVRLEQO-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](C(=O)NCC[NH+](C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000249512390 325652829 /nfs/dbraw/zinc/65/28/29/325652829.db2.gz OFJWXRJFGFFQKU-IJLUTSLNSA-N 2 0 241.379 0.926 20 0 BCADRP [NH3+]CC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000237983399 181353138 /nfs/dbraw/zinc/35/31/38/181353138.db2.gz CEEWATAZENRTQR-CYBMUJFWSA-N 2 0 247.342 0.898 20 0 BCADRP CC(C)([NH3+])c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630604520 364328766 /nfs/dbraw/zinc/32/87/66/364328766.db2.gz SSFYSJATLBPVQF-MRVPVSSYSA-N 2 0 209.297 0.224 20 0 BCADRP C[NH+](C)CCc1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607936 364332735 /nfs/dbraw/zinc/33/27/35/364332735.db2.gz RHFKJMHEHVLHFJ-UHFFFAOYSA-N 2 0 245.330 0.830 20 0 BCADRP c1c(C[C@@H]2CC[NH2+]C2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000630605759 364336459 /nfs/dbraw/zinc/33/64/59/364336459.db2.gz OWFRIFUJXNOMSR-QWRGUYRKSA-N 2 0 235.335 0.182 20 0 BCADRP [NH3+]CCCCCn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000630591573 364304712 /nfs/dbraw/zinc/30/47/12/364304712.db2.gz XTUHBFFUITWEHW-NSHDSACASA-N 2 0 237.351 0.559 20 0 BCADRP CCC[C@@H]([NH3+])c1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC000630616980 364354492 /nfs/dbraw/zinc/35/44/92/364354492.db2.gz PCNDACOSXPKWEL-VHSXEESVSA-N 2 0 239.323 0.066 20 0 BCADRP C[C@H]1CC[C@H](NC2CC[NH+](C)CC2)C[NH2+]1 ZINC000398975522 364401923 /nfs/dbraw/zinc/40/19/23/364401923.db2.gz YRAYLTOECQEJFM-JQWIXIFHSA-N 2 0 211.353 0.811 20 0 BCADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC000579540485 366849951 /nfs/dbraw/zinc/84/99/51/366849951.db2.gz YLSSVYRDZFJLPL-NEPJUHHUSA-N 2 0 241.379 0.783 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)CC[N@@H+]1C ZINC000630714837 364489650 /nfs/dbraw/zinc/48/96/50/364489650.db2.gz AZVDJUYMUDXORG-GRYCIOLGSA-N 2 0 241.379 0.783 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000373040994 181366217 /nfs/dbraw/zinc/36/62/17/181366217.db2.gz XONKECOYBBBCAI-LBPRGKRZSA-N 2 0 239.363 0.812 20 0 BCADRP [NH3+]CCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000037812715 181366441 /nfs/dbraw/zinc/36/64/41/181366441.db2.gz BTURQTDALOOOHM-JTQLQIEISA-N 2 0 211.309 0.032 20 0 BCADRP C[C@H](CNC(=O)C1([NH+](C)C)CC1)C[NH+](C)C ZINC000615175136 364591661 /nfs/dbraw/zinc/59/16/61/364591661.db2.gz FFGBFUDYRKGBGT-SNVBAGLBSA-N 2 0 227.352 0.395 20 0 BCADRP [NH3+]CCC(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000365097304 181366972 /nfs/dbraw/zinc/36/69/72/181366972.db2.gz YPBLHMZOPNDWEP-MWLCHTKSSA-N 2 0 211.309 0.065 20 0 BCADRP [NH3+]CCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000037023784 181368592 /nfs/dbraw/zinc/36/85/92/181368592.db2.gz MUROODXZZZXBHU-ZJUUUORDSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000615309115 364683741 /nfs/dbraw/zinc/68/37/41/364683741.db2.gz QJQISWSHBAUOTO-UTUOFQBUSA-N 2 0 239.363 0.632 20 0 BCADRP C[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248135777 364627465 /nfs/dbraw/zinc/62/74/65/364627465.db2.gz PAQRGLIFFZRUPY-OUAUKWLOSA-N 2 0 200.326 0.830 20 0 BCADRP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)[C@H](C)[NH3+] ZINC000573316533 364796587 /nfs/dbraw/zinc/79/65/87/364796587.db2.gz QIHXYQMHTNCYQZ-AXFHLTTASA-N 2 0 227.352 0.426 20 0 BCADRP [NH3+]CCCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101716 181371234 /nfs/dbraw/zinc/37/12/34/181371234.db2.gz TUMQLZLFYOMICY-UHFFFAOYSA-N 2 0 239.363 0.812 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418321024 219954050 /nfs/dbraw/zinc/95/40/50/219954050.db2.gz XMHKCRMHKJHNMR-QWRGUYRKSA-N 2 0 242.367 0.413 20 0 BCADRP CC(C)[C@H](C(=O)N(C)[C@H]1CC[NH2+]C1)[C@@H](C)[NH3+] ZINC000573316536 364791795 /nfs/dbraw/zinc/79/17/95/364791795.db2.gz QIHXYQMHTNCYQZ-VWYCJHECSA-N 2 0 227.352 0.426 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000573499387 364848749 /nfs/dbraw/zinc/84/87/49/364848749.db2.gz TYYAWWDWFYKARQ-SRVKXCTJSA-N 2 0 229.368 0.016 20 0 BCADRP CC1(C)OCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000336898972 364852295 /nfs/dbraw/zinc/85/22/95/364852295.db2.gz QUPPAYBYRLBBGB-NEPJUHHUSA-N 2 0 242.363 0.600 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1CC[NH2+][C@H]1CC ZINC000573548336 364857610 /nfs/dbraw/zinc/85/76/10/364857610.db2.gz ZHSWLCMGWCHJCD-QWRGUYRKSA-N 2 0 227.352 0.490 20 0 BCADRP C[NH+](C)CC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000167933135 364823363 /nfs/dbraw/zinc/82/33/63/364823363.db2.gz CRWHNJPJPNGEQS-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1coc(C[NH3+])c1 ZINC000573444098 364834253 /nfs/dbraw/zinc/83/42/53/364834253.db2.gz HWYIPMINNZHFRO-BQBZGAKWSA-N 2 0 211.265 0.204 20 0 BCADRP COC[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000573479225 364842781 /nfs/dbraw/zinc/84/27/81/364842781.db2.gz UTCFRUGCHXGKIO-GRYCIOLGSA-N 2 0 230.352 0.456 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000573622175 364878925 /nfs/dbraw/zinc/87/89/25/364878925.db2.gz ZQJRTSZRJNITHJ-RHYQMDGZSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+]CCCC(=O)NCC1([NH3+])CCCCC1 ZINC000336674257 181371369 /nfs/dbraw/zinc/37/13/69/181371369.db2.gz PAUFDJSHRKPCOE-UHFFFAOYSA-N 2 0 213.325 0.503 20 0 BCADRP CC(C)NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000069730024 541386239 /nfs/dbraw/zinc/38/62/39/541386239.db2.gz XLGWPAINWNFWLW-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@H]2O)C[C@@H]1[NH3+] ZINC000328525603 364866297 /nfs/dbraw/zinc/86/62/97/364866297.db2.gz UAJRZGYJBNHKJC-NOOOWODRSA-N 2 0 212.337 0.817 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000573699574 364897990 /nfs/dbraw/zinc/89/79/90/364897990.db2.gz SRVRUPUOVWGWEN-MNOVXSKESA-N 2 0 227.352 0.583 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000573799635 364918202 /nfs/dbraw/zinc/91/82/02/364918202.db2.gz YLRCNBBKZFQCOU-NWDGAFQWSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000573815123 364924128 /nfs/dbraw/zinc/92/41/28/364924128.db2.gz LWMKHWKBFUZWGT-VHSXEESVSA-N 2 0 213.325 0.004 20 0 BCADRP C[NH2+]CCCNC(=O)NCC1([NH3+])CCCC1 ZINC000659505945 541407343 /nfs/dbraw/zinc/40/73/43/541407343.db2.gz VHJWLTNSDNQLCY-UHFFFAOYSA-N 2 0 228.340 0.167 20 0 BCADRP [NH3+]CCCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000367966056 181377948 /nfs/dbraw/zinc/37/79/48/181377948.db2.gz XDZHFOMYGNAERF-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]CCCCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000367649052 181377441 /nfs/dbraw/zinc/37/74/41/181377441.db2.gz OXAWPCHSRBSERU-WCQYABFASA-N 2 0 239.363 0.621 20 0 BCADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C2([NH3+])CC2)cc1 ZINC000573913109 364942642 /nfs/dbraw/zinc/94/26/42/364942642.db2.gz SYUCBNJQLUJIJR-SECBINFHSA-N 2 0 233.315 0.814 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000573954133 364953360 /nfs/dbraw/zinc/95/33/60/364953360.db2.gz URUUQDDIQSAHRR-RQJHMYQMSA-N 2 0 241.257 0.238 20 0 BCADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000574038399 364972398 /nfs/dbraw/zinc/97/23/98/364972398.db2.gz COGYRUHUXBZZOV-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH2+]CCCNC(=O)c1c[nH+]ccc1N ZINC000574059768 364979728 /nfs/dbraw/zinc/97/97/28/364979728.db2.gz WLEXXXWKHLGQGK-UHFFFAOYSA-N 2 0 222.292 0.224 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000574159882 364999689 /nfs/dbraw/zinc/99/96/89/364999689.db2.gz MDPLEBYPWYJUGV-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]CCCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000309599430 181381558 /nfs/dbraw/zinc/38/15/58/181381558.db2.gz JNZDEONLGLBUEV-SNVBAGLBSA-N 2 0 213.325 0.231 20 0 BCADRP [NH3+]CCCNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000294768671 181381681 /nfs/dbraw/zinc/38/16/81/181381681.db2.gz MMVFUSSCKKXOST-UHFFFAOYSA-N 2 0 247.342 0.453 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000168985870 365048221 /nfs/dbraw/zinc/04/82/21/365048221.db2.gz LOPRVBGGLHHJJQ-NXEZZACHSA-N 2 0 214.309 0.751 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000574451436 365060598 /nfs/dbraw/zinc/06/05/98/365060598.db2.gz QBHUUMUJIWWPAD-JQWIXIFHSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000574319532 365023692 /nfs/dbraw/zinc/02/36/92/365023692.db2.gz WBFABCBTGGBXMK-VGMNWLOBSA-N 2 0 216.329 0.006 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000574279528 365027138 /nfs/dbraw/zinc/02/71/38/365027138.db2.gz KFQMEDQGZKDPOF-YTWAJWBKSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000574297587 365032492 /nfs/dbraw/zinc/03/24/92/365032492.db2.gz PCYHEHKEJFEKJZ-NXEZZACHSA-N 2 0 227.352 0.428 20 0 BCADRP CC[C@H](C)[C@H](C)[NH2+]C[C@@](C)(O)C[NH2+]C ZINC000574525571 365083948 /nfs/dbraw/zinc/08/39/48/365083948.db2.gz RCYTYVYCHYABBG-DCAQKATOSA-N 2 0 202.342 0.981 20 0 BCADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@](C)(O)C[NH2+]C ZINC000574525574 365084066 /nfs/dbraw/zinc/08/40/66/365084066.db2.gz RCYTYVYCHYABBG-HBNTYKKESA-N 2 0 202.342 0.981 20 0 BCADRP [NH3+]CCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000133717112 181392954 /nfs/dbraw/zinc/39/29/54/181392954.db2.gz PWXAVLGOOZJGGZ-UHFFFAOYSA-N 2 0 213.325 0.361 20 0 BCADRP CC[NH2+]CCCNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000574548911 365087455 /nfs/dbraw/zinc/08/74/55/365087455.db2.gz UIBQRNYMKHPAGW-WDEREUQCSA-N 2 0 242.367 0.378 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000574548558 365087964 /nfs/dbraw/zinc/08/79/64/365087964.db2.gz IRGFKGPGWIYIHH-GHMZBOCLSA-N 2 0 227.352 0.490 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000433160907 192987209 /nfs/dbraw/zinc/98/72/09/192987209.db2.gz IHDZZLATOFLWTK-MNOVXSKESA-N 2 0 227.352 0.476 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000574569138 365091607 /nfs/dbraw/zinc/09/16/07/365091607.db2.gz LYQATUBSYIPILD-NSHDSACASA-N 2 0 219.288 0.319 20 0 BCADRP [NH3+]CCNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000332638987 181394645 /nfs/dbraw/zinc/39/46/45/181394645.db2.gz IUFFKCLHKKIGNC-NSHDSACASA-N 2 0 240.351 0.215 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000574573361 365093736 /nfs/dbraw/zinc/09/37/36/365093736.db2.gz KGXSSKVVWLCBJY-BDAKNGLRSA-N 2 0 247.289 0.322 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000574622954 365103827 /nfs/dbraw/zinc/10/38/27/365103827.db2.gz GNRDNLAUOQWTBA-MNOVXSKESA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000574635912 365106816 /nfs/dbraw/zinc/10/68/16/365106816.db2.gz XPXRYZUKLZYBAH-GARJFASQSA-N 2 0 242.367 0.493 20 0 BCADRP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000574756804 365136891 /nfs/dbraw/zinc/13/68/91/365136891.db2.gz DKMJSQUARCHKIL-UPJWGTAASA-N 3 0 223.364 0.670 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CC[NH2+]C1CC1 ZINC000574650938 365112766 /nfs/dbraw/zinc/11/27/66/365112766.db2.gz LNHLRXWQRKQJOJ-SNVBAGLBSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]CCOCCN1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000357079046 181399627 /nfs/dbraw/zinc/39/96/27/181399627.db2.gz CINDXXVGUIYAJI-ZIAGYGMSSA-N 2 0 249.358 0.388 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH2+]C3)[C@H]2C1 ZINC000574689500 365121475 /nfs/dbraw/zinc/12/14/75/365121475.db2.gz JVKNFRXJFDQDJP-WOPDTQHZSA-N 2 0 237.347 0.149 20 0 BCADRP C[C@H]([NH3+])c1ccc(C(=O)N(C)CC[NH3+])cc1 ZINC000574691211 365122035 /nfs/dbraw/zinc/12/20/35/365122035.db2.gz VQWSMXJDDHDDTQ-VIFPVBQESA-N 2 0 221.304 0.737 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[NH+](C)C ZINC000443214382 193015213 /nfs/dbraw/zinc/01/52/13/193015213.db2.gz NOEHCUBAOHXFSH-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000574873419 365163758 /nfs/dbraw/zinc/16/37/58/365163758.db2.gz QTOZTPQYRMDMHK-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(CC[NH+](C)C)C1CC1 ZINC000574873980 365163842 /nfs/dbraw/zinc/16/38/42/365163842.db2.gz BUIKGGKPGJSCAN-VIFPVBQESA-N 2 0 213.325 0.134 20 0 BCADRP CSC[C@H](O)C[NH2+][C@H]1CCn2ccnc2C1 ZINC000574806083 365147775 /nfs/dbraw/zinc/14/77/75/365147775.db2.gz UPDSJDPHDWEDFL-VHSXEESVSA-N 2 0 241.360 0.511 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000574812442 365150441 /nfs/dbraw/zinc/15/04/41/365150441.db2.gz UUVDBIMFSGZKGS-CYBMUJFWSA-N 2 0 246.314 0.320 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000191987482 365219912 /nfs/dbraw/zinc/21/99/12/365219912.db2.gz FCQREVOTLDTKQH-AEJSXWLSSA-N 2 0 227.352 0.556 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444164619 193038183 /nfs/dbraw/zinc/03/81/83/193038183.db2.gz GDGSOMRTVARXLM-YPMHNXCESA-N 2 0 239.363 0.442 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000575173561 365226493 /nfs/dbraw/zinc/22/64/93/365226493.db2.gz BOPZJXMEFIINHB-KXNHARMFSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@H]1CC[NH2+]1)C1CCCCC1 ZINC000444149614 193037359 /nfs/dbraw/zinc/03/73/59/193037359.db2.gz FNYXKSLWNCFJCD-GHMZBOCLSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@@H](C(=O)NCC[NH+](C)C)[NH+](CC)CC ZINC000443386335 193020099 /nfs/dbraw/zinc/02/00/99/193020099.db2.gz IPJNWVALUHUYLE-NSHDSACASA-N 2 0 229.368 0.785 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000575121393 365210789 /nfs/dbraw/zinc/21/07/89/365210789.db2.gz NUNRXACEZRCPJP-HBNTYKKESA-N 2 0 242.367 0.411 20 0 BCADRP C[C@]1(C[NH2+]CC[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000575123284 365212647 /nfs/dbraw/zinc/21/26/47/365212647.db2.gz ARFRSKOKRKELFU-NWDGAFQWSA-N 3 0 211.353 0.575 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH2+]1)C(C)C ZINC000444163830 193038879 /nfs/dbraw/zinc/03/88/79/193038879.db2.gz DOGWNCMLXLBPQZ-SNVBAGLBSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444179006 193039505 /nfs/dbraw/zinc/03/95/05/193039505.db2.gz CEOTZHNHRLMOPU-MDZLAQPJSA-N 2 0 237.347 0.149 20 0 BCADRP C[NH+](C)CC[C@@H](NC(=O)[C@H]1CC[NH2+]1)C(C)(C)C ZINC000444184637 193039700 /nfs/dbraw/zinc/03/97/00/193039700.db2.gz PFUQFAQACXUDLD-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH+]1CCC(NC(=O)c2coc(C[NH3+])c2)CC1 ZINC000444171347 193039855 /nfs/dbraw/zinc/03/98/55/193039855.db2.gz VIHSBCHZMSZGBH-UHFFFAOYSA-N 2 0 237.303 0.562 20 0 BCADRP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CC[NH2+]2)c1 ZINC000444178038 193040033 /nfs/dbraw/zinc/04/00/33/193040033.db2.gz VEKMWPFFGMYMLL-CYBMUJFWSA-N 2 0 247.342 0.726 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444181122 193040062 /nfs/dbraw/zinc/04/00/62/193040062.db2.gz JFJVLWAKLUHNRC-GMTAPVOTSA-N 2 0 225.336 0.337 20 0 BCADRP C[NH+](C)CC[C@H](NC(=O)[C@H]1CC[NH2+]1)C(C)(C)C ZINC000444184638 193040354 /nfs/dbraw/zinc/04/03/54/193040354.db2.gz PFUQFAQACXUDLD-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444167461 193040364 /nfs/dbraw/zinc/04/03/64/193040364.db2.gz LPHDRAPAWSMLGR-AAEUAGOBSA-N 2 0 237.347 0.198 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)c1coc(C[NH3+])c1 ZINC000444188152 193040806 /nfs/dbraw/zinc/04/08/06/193040806.db2.gz KWYSITVMOPBUOV-SNVBAGLBSA-N 2 0 237.303 0.562 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]2)C[N@@H+]1C1CC1 ZINC000444272487 193043941 /nfs/dbraw/zinc/04/39/41/193043941.db2.gz XKAHCUHZQKEFRT-WCABBAIRSA-N 2 0 223.320 0.090 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000192126840 365276738 /nfs/dbraw/zinc/27/67/38/365276738.db2.gz JZLFCPJCAZRTQR-RKDXNWHRSA-N 2 0 201.314 0.086 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H](C)C[NH3+] ZINC000379795340 365273696 /nfs/dbraw/zinc/27/36/96/365273696.db2.gz KGONHJHZQBZWRU-PSASIEDQSA-N 2 0 201.314 0.071 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000575311080 365285429 /nfs/dbraw/zinc/28/54/29/365285429.db2.gz VCVMEQXYFJDNQP-MWLCHTKSSA-N 2 0 221.304 0.020 20 0 BCADRP C[C@@H](CC(=O)NCC[NH+](C)C)n1ccnc1 ZINC000575320891 365288013 /nfs/dbraw/zinc/28/80/13/365288013.db2.gz LTVVZDZVWNQYCJ-JTQLQIEISA-N 2 0 224.308 0.512 20 0 BCADRP C[C@H](CC(=O)NCC[NH+](C)C)n1ccnc1 ZINC000575320892 365288124 /nfs/dbraw/zinc/28/81/24/365288124.db2.gz LTVVZDZVWNQYCJ-SNVBAGLBSA-N 2 0 224.308 0.512 20 0 BCADRP C[NH+](C)CC1CCC(NC(=O)C(C)(C)[NH3+])CC1 ZINC000575399161 365308032 /nfs/dbraw/zinc/30/80/32/365308032.db2.gz RQQIYBZMXHZBHH-UHFFFAOYSA-N 2 0 241.379 0.960 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000575429110 365318981 /nfs/dbraw/zinc/31/89/81/365318981.db2.gz JOYSFFAKNLOPDA-GHMZBOCLSA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C2(C[NH3+])CCCC2)C1 ZINC000575802366 365368442 /nfs/dbraw/zinc/36/84/42/365368442.db2.gz MQHGUQFXCXLQGM-QWRGUYRKSA-N 2 0 239.363 0.749 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C2(C[NH3+])CCCC2)C1 ZINC000575802364 365367564 /nfs/dbraw/zinc/36/75/64/365367564.db2.gz MQHGUQFXCXLQGM-GHMZBOCLSA-N 2 0 239.363 0.749 20 0 BCADRP C[C@@H](CN1CCOCC1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000575923540 365414958 /nfs/dbraw/zinc/41/49/58/365414958.db2.gz VLZIKTJCOHZRKN-QWHCGFSZSA-N 2 0 241.379 0.378 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000575921644 365415108 /nfs/dbraw/zinc/41/51/08/365415108.db2.gz GNFSNRMLGWCUJL-MXWKQRLJSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000575804634 365369214 /nfs/dbraw/zinc/36/92/14/365369214.db2.gz WFXBFMQLKWXRRB-RKDXNWHRSA-N 2 0 201.314 0.228 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000575916361 365411820 /nfs/dbraw/zinc/41/18/20/365411820.db2.gz DVJQYVFIIZLJGA-QJPTWQEYSA-N 2 0 241.379 0.641 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000575989076 365436653 /nfs/dbraw/zinc/43/66/53/365436653.db2.gz NOONYBGDYKDEAC-NWDGAFQWSA-N 2 0 211.353 0.527 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000579590301 366894046 /nfs/dbraw/zinc/89/40/46/366894046.db2.gz WXKMDPCJNYJNOD-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000579602894 366901300 /nfs/dbraw/zinc/90/13/00/366901300.db2.gz XHGMVVNSVTXQRM-RYUDHWBXSA-N 3 0 229.368 0.018 20 0 BCADRP CN(CC[NH3+])C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000576106928 365488247 /nfs/dbraw/zinc/48/82/47/365488247.db2.gz WLOOEWHWTZNGCM-NSHDSACASA-N 2 0 221.304 0.494 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)CC[NH2+]C1CC1 ZINC000579611729 366907290 /nfs/dbraw/zinc/90/72/90/366907290.db2.gz OWOFXQWETJOOPO-LLVKDONJSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H](CCNC(=O)C[NH+](C)C)[NH+]1CCCCC1 ZINC000182917034 366955690 /nfs/dbraw/zinc/95/56/90/366955690.db2.gz ZMFOGKOSADCUFV-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000579710542 366982639 /nfs/dbraw/zinc/98/26/39/366982639.db2.gz KCWFGPMGKTVYMA-MNOVXSKESA-N 2 0 239.363 0.701 20 0 BCADRP COCC[NH2+]CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000579733117 366997791 /nfs/dbraw/zinc/99/77/91/366997791.db2.gz FHELTUBREYSTPC-WDEREUQCSA-N 2 0 215.341 0.082 20 0 BCADRP CC[N@H+](C)CCNC(=O)CCCC[NH+](C)C ZINC000579769005 367003452 /nfs/dbraw/zinc/00/34/52/367003452.db2.gz GHDYLFBEQPXJBI-UHFFFAOYSA-N 2 0 229.368 0.786 20 0 BCADRP C[NH2+]CCCC(=O)NCC1(C)CC[NH2+]CC1 ZINC000183315618 367013279 /nfs/dbraw/zinc/01/32/79/367013279.db2.gz SXBIOBMPDSFQEM-UHFFFAOYSA-N 2 0 227.352 0.492 20 0 BCADRP C[C@@]1(C(=O)N[C@@H](CC[NH3+])C(F)F)CCC[NH2+]1 ZINC000579835842 367039035 /nfs/dbraw/zinc/03/90/35/367039035.db2.gz QXDHTGSCDYBBTG-XVKPBYJWSA-N 2 0 235.278 0.227 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000579853767 367052804 /nfs/dbraw/zinc/05/28/04/367052804.db2.gz AKSXQTHWIKMLKA-RYUDHWBXSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)CC[NH2+]C1CC1 ZINC000579858248 367054944 /nfs/dbraw/zinc/05/49/44/367054944.db2.gz VVYAFSZBOPIEOF-RKDXNWHRSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)N[C@H]1CC[NH2+]C1 ZINC000579980078 367115530 /nfs/dbraw/zinc/11/55/30/367115530.db2.gz JVGRYIPGKBCMHC-UWVGGRQHSA-N 2 0 228.340 0.165 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000579934925 367089968 /nfs/dbraw/zinc/08/99/68/367089968.db2.gz HJIIMCOCZJPTLV-NHCYSSNCSA-N 2 0 227.352 0.474 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000580828390 367179255 /nfs/dbraw/zinc/17/92/55/367179255.db2.gz NPRAKCXFCXYDQK-AXFHLTTASA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)[C@H](C)[NH3+] ZINC000580831988 367181481 /nfs/dbraw/zinc/18/14/81/367181481.db2.gz NKSCUODKALQESI-WOPDTQHZSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000580714888 367149515 /nfs/dbraw/zinc/14/95/15/367149515.db2.gz MYUFUGNSSIQYKX-QWHCGFSZSA-N 2 0 241.379 0.296 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000580891863 367198980 /nfs/dbraw/zinc/19/89/80/367198980.db2.gz LRDRHYFSAKEMNJ-RTXFEEFZSA-N 2 0 247.342 0.801 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)CCC[NH3+] ZINC000580893051 367200149 /nfs/dbraw/zinc/20/01/49/367200149.db2.gz VYGXNBMHMFADFS-UWVGGRQHSA-N 2 0 215.341 0.603 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)CCC[NH3+] ZINC000580893062 367200313 /nfs/dbraw/zinc/20/03/13/367200313.db2.gz VYGXNBMHMFADFS-ZJUUUORDSA-N 2 0 215.341 0.603 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000580941855 367211514 /nfs/dbraw/zinc/21/15/14/367211514.db2.gz DNHRBKRKFALMLI-QJPTWQEYSA-N 2 0 239.363 0.633 20 0 BCADRP CCCN(C(=O)[C@@H](C)C[NH3+])C1CC[NH2+]CC1 ZINC000580950989 367214306 /nfs/dbraw/zinc/21/43/06/367214306.db2.gz OSOFEDMXRIXAII-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000581012596 367235729 /nfs/dbraw/zinc/23/57/29/367235729.db2.gz ITKRTJJFOVWTLS-CHWSQXEVSA-N 2 0 241.379 0.391 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)C[C@H]1[NH3+] ZINC000581061466 367247922 /nfs/dbraw/zinc/24/79/22/367247922.db2.gz HGFHLVPTVOHHIT-PRULPYPASA-N 2 0 237.347 0.182 20 0 BCADRP O=C(C[NH2+]CC1CC1)NCCNc1cc[nH+]cc1 ZINC000581307906 367336939 /nfs/dbraw/zinc/33/69/39/367336939.db2.gz KMTUJVWCJZBTOS-UHFFFAOYSA-N 2 0 248.330 0.031 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C[NH2+]C1CC1 ZINC000581180492 367285613 /nfs/dbraw/zinc/28/56/13/367285613.db2.gz PAJIJDMLELTJIJ-MWLCHTKSSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000581187554 367286575 /nfs/dbraw/zinc/28/65/75/367286575.db2.gz CHHCULGWQUUZHK-ZYHUDNBSSA-N 2 0 248.330 0.030 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000581262226 367313809 /nfs/dbraw/zinc/31/38/09/367313809.db2.gz WDCGWCMLUMVSSC-WCABBAIRSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000381322332 367381788 /nfs/dbraw/zinc/38/17/88/367381788.db2.gz PIMZWHPCSFCPEI-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000381382080 367391067 /nfs/dbraw/zinc/39/10/67/367391067.db2.gz KVSACAYCBQDRJC-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP [NH3+]CCC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000581368860 367400422 /nfs/dbraw/zinc/40/04/22/367400422.db2.gz NOBAOHVKPYDKKU-UHFFFAOYSA-N 2 0 236.319 0.026 20 0 BCADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000581370648 367401701 /nfs/dbraw/zinc/40/17/01/367401701.db2.gz PJLNSZYCCNKHDL-KPXOXKRLSA-N 2 0 249.314 0.368 20 0 BCADRP CC(C)OC(=O)CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381209019 367364746 /nfs/dbraw/zinc/36/47/46/367364746.db2.gz GUXFKJSWXWHANX-PHIMTYICSA-N 2 0 226.320 0.479 20 0 BCADRP C[C@@H]([NH3+])CN1CCC([NH2+]CC2CC2)CC1 ZINC000381244398 367370107 /nfs/dbraw/zinc/37/01/07/367370107.db2.gz NWZFIQRULLGIDR-SNVBAGLBSA-N 2 0 211.353 0.798 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC000381633084 367441347 /nfs/dbraw/zinc/44/13/47/367441347.db2.gz NKGSLDZCOWROFB-UHFFFAOYSA-N 2 0 213.325 0.169 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000381719309 367449742 /nfs/dbraw/zinc/44/97/42/367449742.db2.gz LPLSZOFANWJADE-SRVKXCTJSA-N 2 0 211.353 0.655 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000581498768 367525738 /nfs/dbraw/zinc/52/57/38/367525738.db2.gz JUBJXKJHSPCKEW-UWVGGRQHSA-N 2 0 225.336 0.324 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000382547447 367535812 /nfs/dbraw/zinc/53/58/12/367535812.db2.gz GHFLPXKSNIVANU-SDDRHHMPSA-N 2 0 230.352 0.491 20 0 BCADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2O)CC1 ZINC000382307734 367505265 /nfs/dbraw/zinc/50/52/65/367505265.db2.gz PGNVQSVJAXOBMA-VXGBXAGGSA-N 2 0 212.337 0.974 20 0 BCADRP C[C@H]([NH3+])c1ccc(NC(=O)COC2C[NH2+]C2)cc1 ZINC000581487732 367519054 /nfs/dbraw/zinc/51/90/54/367519054.db2.gz GDLULVYUAPIZCP-VIFPVBQESA-N 2 0 249.314 0.633 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000382943040 367572019 /nfs/dbraw/zinc/57/20/19/367572019.db2.gz JKOHKXCJKGRRIG-SNVBAGLBSA-N 2 0 239.363 0.680 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000581549336 367577978 /nfs/dbraw/zinc/57/79/78/367577978.db2.gz LISWLRGDOLUPJL-NTSWFWBYSA-N 2 0 227.230 0.120 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCC1CC[NH+](C)CC1 ZINC000382990984 367582847 /nfs/dbraw/zinc/58/28/47/367582847.db2.gz YHCOVDYZAXFNLH-JTQLQIEISA-N 2 0 239.363 0.585 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000382963403 367573454 /nfs/dbraw/zinc/57/34/54/367573454.db2.gz PIBOIJFUOWLPOI-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000382965271 367575775 /nfs/dbraw/zinc/57/57/75/367575775.db2.gz PUVXNAKOQUIRLR-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](CNC(=O)[C@H](C)[NH2+]C1CC1)[N@H+](C)C1CC1 ZINC000383302656 367612317 /nfs/dbraw/zinc/61/23/17/367612317.db2.gz HSQSWZAJXNQQNB-UWVGGRQHSA-N 2 0 239.363 0.726 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000383301358 367612573 /nfs/dbraw/zinc/61/25/73/367612573.db2.gz HQKMKFLNNHYSPR-JQWIXIFHSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)[NH2+]C1CC1)[N@H+](C)C1CC1 ZINC000383302658 367612714 /nfs/dbraw/zinc/61/27/14/367612714.db2.gz HSQSWZAJXNQQNB-ZJUUUORDSA-N 2 0 239.363 0.726 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000383380113 367618644 /nfs/dbraw/zinc/61/86/44/367618644.db2.gz PQCFPKAZFCCEAV-SECBINFHSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@H]1CN(C(=O)c2ccccc2CC[NH3+])CC[NH2+]1 ZINC000581614955 367636033 /nfs/dbraw/zinc/63/60/33/367636033.db2.gz UMBCDCPOTRIBBB-NSHDSACASA-N 2 0 247.342 0.622 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN(C)CCOCC1CC1 ZINC000383718303 367649999 /nfs/dbraw/zinc/64/99/99/367649999.db2.gz XXVZAESIDZJOHN-ZDUSSCGKSA-N 2 0 244.379 0.657 20 0 BCADRP CCOC(=O)N1CCC([NH2+]CC(C)(C)[NH3+])CC1 ZINC000383997414 367667726 /nfs/dbraw/zinc/66/77/26/367667726.db2.gz NYZIDCYKVRWTCE-UHFFFAOYSA-N 2 0 243.351 0.934 20 0 BCADRP CC[C@@H](C)C[N@H+](C)C[C@H](O)CN(C)CCOC ZINC000384040516 367669690 /nfs/dbraw/zinc/66/96/90/367669690.db2.gz UZUPOSRVOHVWHP-CHWSQXEVSA-N 2 0 246.395 0.903 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H]1CC[NH2+]1 ZINC000384770364 367729722 /nfs/dbraw/zinc/72/97/22/367729722.db2.gz FJZBQBYZNRFJCB-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000384787259 367732560 /nfs/dbraw/zinc/73/25/60/367732560.db2.gz QMJWCOTWOXGCBH-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)[NH+](CCNC(=O)[C@H]1CC[NH2+]1)C(C)C ZINC000384841157 367741749 /nfs/dbraw/zinc/74/17/49/367741749.db2.gz UFQXFRIMGZVXKE-LLVKDONJSA-N 2 0 227.352 0.583 20 0 BCADRP [NH3+]C[C@@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000336417946 181429155 /nfs/dbraw/zinc/42/91/55/181429155.db2.gz HTWURDSGPNQXDZ-RYUDHWBXSA-N 2 0 239.363 0.716 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000566206427 326005095 /nfs/dbraw/zinc/00/50/95/326005095.db2.gz KILIKXWBTUKCNF-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C2([NH3+])CCC2)C1 ZINC000566201705 326011620 /nfs/dbraw/zinc/01/16/20/326011620.db2.gz YAWBHQBZIZJHFC-VHSXEESVSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@H](NCCNC(=O)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000386062270 367906896 /nfs/dbraw/zinc/90/68/96/367906896.db2.gz XONRHFYAZWWBIJ-JQWIXIFHSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCN2CC[NH2+]CC2)[C@@H]1C ZINC000386089896 367910744 /nfs/dbraw/zinc/91/07/44/367910744.db2.gz FQTMPJFHYRHDMY-UTUOFQBUSA-N 2 0 211.353 0.526 20 0 BCADRP Cc1nc(CN2CCN(C)C[C@@H]2C[NH3+])cs1 ZINC000087613438 367917358 /nfs/dbraw/zinc/91/73/58/367917358.db2.gz VAJPJAKPEIPTQO-NSHDSACASA-N 2 0 240.376 0.526 20 0 BCADRP C[C@@H](C(=O)NCC[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000087645620 367951743 /nfs/dbraw/zinc/95/17/43/367951743.db2.gz VPYUKDVKTRFKIU-KOLCDFICSA-N 2 0 221.304 0.397 20 0 BCADRP [NH3+]CC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000581944315 367973300 /nfs/dbraw/zinc/97/33/00/367973300.db2.gz GALHNVPFYFSMJS-UHFFFAOYSA-N 2 0 211.309 0.078 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000566351317 326036214 /nfs/dbraw/zinc/03/62/14/326036214.db2.gz TUTDEBUBODBALU-LBPRGKRZSA-N 2 0 242.363 0.459 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000581992635 368072000 /nfs/dbraw/zinc/07/20/00/368072000.db2.gz HVVQBDZLCVOYDS-NTZNESFSSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000581992634 368072487 /nfs/dbraw/zinc/07/24/87/368072487.db2.gz HVVQBDZLCVOYDS-NQBHXWOUSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000566560210 326064108 /nfs/dbraw/zinc/06/41/08/326064108.db2.gz KXVDBDJPGUPYMG-YPMHNXCESA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000566614113 326068089 /nfs/dbraw/zinc/06/80/89/326068089.db2.gz LGFHTRQDOOIWCB-TUAOUCFPSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@@]1(C(=O)NCC[C@H]2CC[NH2+]C2)CCC[NH2+]C1 ZINC000566855441 326088115 /nfs/dbraw/zinc/08/81/15/326088115.db2.gz DTFMQJXSCCRVTD-DGCLKSJQSA-N 2 0 239.363 0.492 20 0 BCADRP [NH3+][C@H](C(=O)NCC1CC[NH2+]CC1)C1CCC1 ZINC000566914072 326093432 /nfs/dbraw/zinc/09/34/32/326093432.db2.gz WGWWWRYODLHIEV-NSHDSACASA-N 2 0 225.336 0.230 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000081018356 368566790 /nfs/dbraw/zinc/56/67/90/368566790.db2.gz NNMNZVFICDLCNR-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH+](C)CC(=O)NC(C)(C)C[NH+](C)C ZINC000457211940 203021242 /nfs/dbraw/zinc/02/12/42/203021242.db2.gz SILQQVVYQQQCLC-UHFFFAOYSA-N 2 0 201.314 0.004 20 0 BCADRP CC(C)C(=O)NCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086402289 368880287 /nfs/dbraw/zinc/88/02/87/368880287.db2.gz JGWFZNCBHXXDBG-MNOVXSKESA-N 2 0 227.352 0.618 20 0 BCADRP CC(=O)NCC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000086702787 368884091 /nfs/dbraw/zinc/88/40/91/368884091.db2.gz SZRKEZXHXNZYLA-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP C[C@H](O)[C@H](C)[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000087129031 368888941 /nfs/dbraw/zinc/88/89/41/368888941.db2.gz GFLRQQJNUKWSEM-NNYUYHANSA-N 2 0 212.337 0.972 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)CC[C@H]1[NH3+] ZINC000631822334 368976150 /nfs/dbraw/zinc/97/61/50/368976150.db2.gz ZNWDNMJVARYKHA-OUAUKWLOSA-N 2 0 235.335 0.435 20 0 BCADRP C[N@H+](C[C@H]1CCc2ncnn21)[C@@H]1CCC[NH2+]CC1 ZINC000631823456 368982277 /nfs/dbraw/zinc/98/22/77/368982277.db2.gz FDFOJRNHSOAOMH-VXGBXAGGSA-N 2 0 249.362 0.839 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000091392100 369010404 /nfs/dbraw/zinc/01/04/04/369010404.db2.gz NYSVIBSXTYSENB-AAEUAGOBSA-N 2 0 239.363 0.681 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000623661815 369075808 /nfs/dbraw/zinc/07/58/08/369075808.db2.gz DRVICHOOIYLWGY-BJDJZHNGSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@@H]1C[N@H+](CCCc2cncn2C)C[C@H]1C[NH3+] ZINC000631836999 369091435 /nfs/dbraw/zinc/09/14/35/369091435.db2.gz LINQNLLGQDHIJF-VXGBXAGGSA-N 2 0 236.363 0.879 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000567383928 326180686 /nfs/dbraw/zinc/18/06/86/326180686.db2.gz HBLVRGZQKIWHRO-IMSYWVGJSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1C[NH3+] ZINC000631838041 369113239 /nfs/dbraw/zinc/11/32/39/369113239.db2.gz YVHGLLKMGYTBIX-MXWKQRLJSA-N 2 0 235.335 0.292 20 0 BCADRP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000631839733 369170424 /nfs/dbraw/zinc/17/04/24/369170424.db2.gz KEYOGEJKPGWXBZ-IJLUTSLNSA-N 2 0 239.363 0.522 20 0 BCADRP CC[NH2+]CCCNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000567572698 326220155 /nfs/dbraw/zinc/22/01/55/326220155.db2.gz URTWSLFZBHXYQZ-MNOVXSKESA-N 2 0 242.367 0.378 20 0 BCADRP C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000567639374 326236770 /nfs/dbraw/zinc/23/67/70/326236770.db2.gz KIDQBSYASNLQLX-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567672776 326242824 /nfs/dbraw/zinc/24/28/24/326242824.db2.gz JETKGTJMOHZWQK-CYBMUJFWSA-N 2 0 237.347 0.341 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000567715073 326250179 /nfs/dbraw/zinc/25/01/79/326250179.db2.gz JJFDHEZJMJFNGH-DCAQKATOSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+]CCCC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404906551 369438589 /nfs/dbraw/zinc/43/85/89/369438589.db2.gz YZJUTINNPYXYQY-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CCOC(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404905645 369439186 /nfs/dbraw/zinc/43/91/86/369439186.db2.gz ROMYLLLROYFRBR-RKDXNWHRSA-N 2 0 214.309 0.655 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567813507 326261834 /nfs/dbraw/zinc/26/18/34/326261834.db2.gz FFAHTYCPGVKETN-WOPDTQHZSA-N 2 0 239.363 0.572 20 0 BCADRP CCN(C)C(=O)CCN1C[C@H]([NH3+])C[C@@H]1C ZINC000631862015 369474423 /nfs/dbraw/zinc/47/44/23/369474423.db2.gz KGSUWZQXJCPKAQ-VHSXEESVSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000567846461 326268919 /nfs/dbraw/zinc/26/89/19/326268919.db2.gz CGUBFKBLHLBFAR-RQJHMYQMSA-N 2 0 241.257 0.510 20 0 BCADRP CC(C)[C@@H](CO)[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000166136540 203387741 /nfs/dbraw/zinc/38/77/41/203387741.db2.gz NSFSJGSFWSXHFK-QJPTWQEYSA-N 2 0 230.352 0.360 20 0 BCADRP OCC[NH2+]C1CC[NH+](CC2CC=CC2)CC1 ZINC000631862443 369544796 /nfs/dbraw/zinc/54/47/96/369544796.db2.gz PSHOQKPTTLOTHU-UHFFFAOYSA-N 2 0 224.348 0.999 20 0 BCADRP CN(C(=O)[C@@H]([NH3+])CC(F)F)C1(C[NH3+])CCC1 ZINC000567912763 326282285 /nfs/dbraw/zinc/28/22/85/326282285.db2.gz UDHVACJVSZVCDA-ZETCQYMHSA-N 2 0 235.278 0.309 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567912997 326282386 /nfs/dbraw/zinc/28/23/86/326282386.db2.gz ZVYFROJEZJUWKP-NZHYYXIDSA-N 2 0 225.336 0.226 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC000619901670 369632186 /nfs/dbraw/zinc/63/21/86/369632186.db2.gz XGBHHELPFGSVME-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000619901671 369632494 /nfs/dbraw/zinc/63/24/94/369632494.db2.gz XGBHHELPFGSVME-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP COCCN1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000567990367 326292703 /nfs/dbraw/zinc/29/27/03/326292703.db2.gz XJBUKDPPBNFHGY-CYBMUJFWSA-N 2 0 241.379 0.250 20 0 BCADRP Cn1nccc1[C@@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000567990592 326292719 /nfs/dbraw/zinc/29/27/19/326292719.db2.gz LQHSCEGQQQPWBA-LLVKDONJSA-N 2 0 222.336 0.948 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(CCO)CC1 ZINC000568057036 326300003 /nfs/dbraw/zinc/30/00/03/326300003.db2.gz MHBGTABKZNFNFO-GFCCVEGCSA-N 2 0 230.352 0.051 20 0 BCADRP CCC[N@H+](C)CC(C)(C)NC(=O)C[NH+](C)C ZINC000620624469 369967977 /nfs/dbraw/zinc/96/79/77/369967977.db2.gz WMFMPDDJLOWWPU-UHFFFAOYSA-N 2 0 229.368 0.785 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)NCCC[NH+](C)C ZINC000621012588 370072186 /nfs/dbraw/zinc/07/21/86/370072186.db2.gz CXZLIWMRSMLBIT-LLVKDONJSA-N 2 0 244.383 0.578 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H](C)[NH2+]1 ZINC000620903294 370050424 /nfs/dbraw/zinc/05/04/24/370050424.db2.gz LQNILUPVPFQVRJ-TUAOUCFPSA-N 2 0 239.363 0.680 20 0 BCADRP CC[C@H](C(=O)N1CC[NH2+][C@@H](C(C)C)C1)[NH+](C)C ZINC000621155840 370128357 /nfs/dbraw/zinc/12/83/57/370128357.db2.gz MZSWCCZLCWUSTN-VXGBXAGGSA-N 2 0 241.379 0.783 20 0 BCADRP COCCOCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252843654 370135775 /nfs/dbraw/zinc/13/57/75/370135775.db2.gz DFDJBXITIMRTCS-RWMBFGLXSA-N 2 0 242.363 0.709 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1CCC[NH2+]C1 ZINC000309759203 370255458 /nfs/dbraw/zinc/25/54/58/370255458.db2.gz IHDLZHPFRMLUIP-GRYCIOLGSA-N 2 0 211.353 0.798 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000568236241 326331827 /nfs/dbraw/zinc/33/18/27/326331827.db2.gz FPCAOKYYPOEIII-QMMMGPOBSA-N 2 0 201.314 0.038 20 0 BCADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[NH2+]C1)C2 ZINC000621679726 370429068 /nfs/dbraw/zinc/42/90/68/370429068.db2.gz SSXKAHZAPFIOHR-NTZNESFSSA-N 2 0 237.347 0.326 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621679372 370429339 /nfs/dbraw/zinc/42/93/39/370429339.db2.gz KBVNFCWCUSDASW-PWSUYJOCSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621679795 370429525 /nfs/dbraw/zinc/42/95/25/370429525.db2.gz UQYLYUSGWBRYMS-NHCYSSNCSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[NH2+]1)C2 ZINC000621685346 370435913 /nfs/dbraw/zinc/43/59/13/370435913.db2.gz CUGGFKHRARXNLR-GMXVVIOVSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[NH2+]C1)C2 ZINC000621683758 370432665 /nfs/dbraw/zinc/43/26/65/370432665.db2.gz AQKWRYJMSLHYJK-NTZNESFSSA-N 2 0 237.347 0.326 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621683157 370432761 /nfs/dbraw/zinc/43/27/61/370432761.db2.gz QUVXXPXLCZOWIL-GMOBBJLQSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@]1(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC[NH2+]C1 ZINC000621684076 370433499 /nfs/dbraw/zinc/43/34/99/370433499.db2.gz HFTVBYAKTWIAQH-WCFLWFBJSA-N 2 0 237.347 0.326 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621620098 370405463 /nfs/dbraw/zinc/40/54/63/370405463.db2.gz QRUAKBYQVDENKI-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP O=C(CC[C@H]1CCC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000621620195 370405704 /nfs/dbraw/zinc/40/57/04/370405704.db2.gz VCZQZNNUGRCBLB-NEPJUHHUSA-N 2 0 239.363 0.634 20 0 BCADRP CC(C)([NH3+])CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684478 370434716 /nfs/dbraw/zinc/43/47/16/370434716.db2.gz NAAURUKSNAJAKY-CABZTGNLSA-N 2 0 225.336 0.454 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684387 370434752 /nfs/dbraw/zinc/43/47/52/370434752.db2.gz LSQZKWTTYFNFBS-FOGDFJRCSA-N 2 0 225.336 0.310 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684482 370434824 /nfs/dbraw/zinc/43/48/24/370434824.db2.gz NCXARTRULDICJQ-BREBYQMCSA-N 2 0 239.363 0.700 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C[C@@H]1CC[NH2+]C1)C2 ZINC000621684811 370434944 /nfs/dbraw/zinc/43/49/44/370434944.db2.gz SSXKAHZAPFIOHR-LOWVWBTDSA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)o1 ZINC000621684892 370434956 /nfs/dbraw/zinc/43/49/56/370434956.db2.gz VGYQNTUVGUESKM-RNCFNFMXSA-N 2 0 249.314 0.692 20 0 BCADRP [NH3+][C@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000621652797 370412957 /nfs/dbraw/zinc/41/29/57/370412957.db2.gz GQEONJZNUXZKST-ZYHUDNBSSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]3C[C@H]3[NH2+]1)C2 ZINC000621698607 370445026 /nfs/dbraw/zinc/44/50/26/370445026.db2.gz BPIMCHZCNDXRPD-OOTJXSFTSA-N 2 0 235.331 0.077 20 0 BCADRP C[C@]1(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CCC[NH2+]1 ZINC000621699129 370446206 /nfs/dbraw/zinc/44/62/06/370446206.db2.gz MXQZNMZCSPIRMW-RTXFEEFZSA-N 2 0 237.347 0.468 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621690154 370439189 /nfs/dbraw/zinc/43/91/89/370439189.db2.gz QFQRTKJRZCUBLI-DGCLKSJQSA-N 2 0 239.363 0.668 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000568627324 326368569 /nfs/dbraw/zinc/36/85/69/326368569.db2.gz XAZSMLBOSBUURC-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP c1ccc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000082416893 370993822 /nfs/dbraw/zinc/99/38/22/370993822.db2.gz SWBNXZYDWIYTTP-TXEJJXNPSA-N 2 0 217.316 0.775 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCN2CC[C@H](O)C2)CCO1 ZINC000623837468 371119860 /nfs/dbraw/zinc/11/98/60/371119860.db2.gz GLRLQOVJDAVGNG-SRVKXCTJSA-N 2 0 228.336 0.210 20 0 BCADRP C[C@@H]1CC[C@@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000623837063 371120156 /nfs/dbraw/zinc/12/01/56/371120156.db2.gz WLHFDNKVLFMRQZ-UTUOFQBUSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@H]([NH2+]CCN1CC[C@H](O)C1)[C@@H]1C[C@H]1C ZINC000623838188 371120825 /nfs/dbraw/zinc/12/08/25/371120825.db2.gz JZCVBZXSHHAOLS-NOOOWODRSA-N 2 0 212.337 0.687 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000569120084 326391411 /nfs/dbraw/zinc/39/14/11/326391411.db2.gz YLZZTKZZAAUJDO-VLEAKVRGSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000569240929 326397398 /nfs/dbraw/zinc/39/73/98/326397398.db2.gz YJEQGEXOACJJKE-ZRUFSTJUSA-N 2 0 242.367 0.552 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000569240922 326397406 /nfs/dbraw/zinc/39/74/06/326397406.db2.gz YJEQGEXOACJJKE-NAKRPEOUSA-N 2 0 242.367 0.552 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)C[C@H]1CCC[NH2+]1 ZINC000572641216 326401250 /nfs/dbraw/zinc/40/12/50/326401250.db2.gz XKUHDHPVQDUDCJ-NXEZZACHSA-N 2 0 213.325 0.372 20 0 BCADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C[NH2+]CC3CC3)C[C@@H]12 ZINC000185007775 181593934 /nfs/dbraw/zinc/59/39/34/181593934.db2.gz ZZTVLPUSOXTSGT-QJPTWQEYSA-N 2 0 237.347 0.182 20 0 BCADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@H](C(N)=O)C2)CC1 ZINC000624129186 371330391 /nfs/dbraw/zinc/33/03/91/371330391.db2.gz CYLZTJVBIUWADV-UMSPYCQHSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H](CCCCO)[NH2+]CCN1CC[C@H](O)C1 ZINC000624336206 371486611 /nfs/dbraw/zinc/48/66/11/371486611.db2.gz KWSQPNOTDSYHLI-RYUDHWBXSA-N 2 0 230.352 0.194 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH2+]CC1 ZINC000131680597 371650331 /nfs/dbraw/zinc/65/03/31/371650331.db2.gz VYEAIDNGUXGWJD-GHMZBOCLSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000131849553 371697103 /nfs/dbraw/zinc/69/71/03/371697103.db2.gz DAJGHLUYDORNMI-AOOOYVTPSA-N 2 0 225.336 0.195 20 0 BCADRP COC(=O)[C@H](C)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227071750 371780828 /nfs/dbraw/zinc/78/08/28/371780828.db2.gz FKXNPRZRHVGOSK-XHNCKOQMSA-N 2 0 200.282 0.217 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627649216 371807912 /nfs/dbraw/zinc/80/79/12/371807912.db2.gz NVMGJNBNUSOCDH-PJXYFTJBSA-N 2 0 239.363 0.345 20 0 BCADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C3([NH+](C)C)CC3)C[C@H]21 ZINC000627655811 371814093 /nfs/dbraw/zinc/81/40/93/371814093.db2.gz IYVPAIGAUQEIJC-URLYPYJESA-N 2 0 237.347 0.099 20 0 BCADRP O=C(C1C[NH2+]C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000091408944 181871005 /nfs/dbraw/zinc/87/10/05/181871005.db2.gz VAKLAMXQZPZQKS-LBPRGKRZSA-N 2 0 237.347 0.293 20 0 BCADRP C[NH+](C)CC(=O)NCC(C)(C)C[NH+](C)C ZINC000171178833 372420570 /nfs/dbraw/zinc/42/05/70/372420570.db2.gz NPZAEZWZZGLATP-UHFFFAOYSA-N 2 0 215.341 0.252 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)C)CC[N@@H+]1C ZINC000631598857 372451589 /nfs/dbraw/zinc/45/15/89/372451589.db2.gz GBTAVVRTWNFXMG-NWDGAFQWSA-N 2 0 241.379 0.737 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631823508 372602167 /nfs/dbraw/zinc/60/21/67/372602167.db2.gz GIOJSSSNXMXXOV-DCAQKATOSA-N 2 0 235.335 0.435 20 0 BCADRP Cc1nccnc1CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000631824065 372589079 /nfs/dbraw/zinc/58/90/79/372589079.db2.gz VDIDRTMDJUPMAL-ONGXEEELSA-N 2 0 220.320 0.954 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631821148 372594584 /nfs/dbraw/zinc/59/45/84/372594584.db2.gz QHQIJVNBDSIJPD-VXGBXAGGSA-N 2 0 249.362 0.697 20 0 BCADRP C[C@@](C[NH3+])([NH2+]C[C@@H]1CCc2ncnn21)C1CC1 ZINC000631822552 372599156 /nfs/dbraw/zinc/59/91/56/372599156.db2.gz HVDUFSKPHHOYHW-JQWIXIFHSA-N 2 0 235.335 0.482 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@@H]1CCO[C@@H]1C ZINC000631828818 372608965 /nfs/dbraw/zinc/60/89/65/372608965.db2.gz ZBQAKURCDQBBTH-MNOVXSKESA-N 2 0 200.326 0.953 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@H]1CCO[C@@H]1C ZINC000631828817 372609299 /nfs/dbraw/zinc/60/92/99/372609299.db2.gz ZBQAKURCDQBBTH-GHMZBOCLSA-N 2 0 200.326 0.953 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000631829316 372610287 /nfs/dbraw/zinc/61/02/87/372610287.db2.gz NFSVYCUHWOWEIH-OUAUKWLOSA-N 2 0 235.335 0.577 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000631829317 372611026 /nfs/dbraw/zinc/61/10/26/372611026.db2.gz NFSVYCUHWOWEIH-VWYCJHECSA-N 2 0 235.335 0.577 20 0 BCADRP C[C@H]1C[C@@H](N)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000631859524 372658129 /nfs/dbraw/zinc/65/81/29/372658129.db2.gz BMTVRKKUNFICRQ-CMPLNLGQSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1C[NH3+] ZINC000631837011 372625150 /nfs/dbraw/zinc/62/51/50/372625150.db2.gz LMGQVIOSZUEUMK-GMTAPVOTSA-N 2 0 225.336 0.134 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000631836949 372625590 /nfs/dbraw/zinc/62/55/90/372625590.db2.gz KCDNXTGIEVPUGD-IJLUTSLNSA-N 3 0 211.353 0.513 20 0 BCADRP C(CN1C[C@@H]2C[C@H]1C[NH2+]2)C[NH+]1CCCCC1 ZINC000631848059 372644761 /nfs/dbraw/zinc/64/47/61/372644761.db2.gz LKJBBROQGUIMGF-STQMWFEESA-N 2 0 223.364 0.909 20 0 BCADRP C([C@H]1CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631852098 372651122 /nfs/dbraw/zinc/65/11/22/372651122.db2.gz BECJMRAGLOIRPH-SDDRHHMPSA-N 2 0 209.337 0.422 20 0 BCADRP C(CN1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000631853297 372653408 /nfs/dbraw/zinc/65/34/08/372653408.db2.gz UIZYATIUMGRLDR-RWMBFGLXSA-N 2 0 223.364 0.812 20 0 BCADRP CCOCCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000631864820 372667049 /nfs/dbraw/zinc/66/70/49/372667049.db2.gz XUFJWPCJPDTYLV-UHFFFAOYSA-N 2 0 230.352 0.459 20 0 BCADRP COC[C@H](C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)OC ZINC000631890548 372686106 /nfs/dbraw/zinc/68/61/06/372686106.db2.gz QHFOHYLJZYIZOE-AGIUHOORSA-N 2 0 242.363 0.722 20 0 BCADRP COC[C@H](C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)OC ZINC000631890552 372686415 /nfs/dbraw/zinc/68/64/15/372686415.db2.gz QHFOHYLJZYIZOE-RWMBFGLXSA-N 2 0 242.363 0.722 20 0 BCADRP [NH3+]CCCN1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000631893865 372688339 /nfs/dbraw/zinc/68/83/39/372688339.db2.gz DBNMLLOWKCRPIE-LLVKDONJSA-N 2 0 219.332 0.973 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632854293 373192177 /nfs/dbraw/zinc/19/21/77/373192177.db2.gz DPLFGEWGHCXRTN-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632860675 373197364 /nfs/dbraw/zinc/19/73/64/373197364.db2.gz IQRYDQZQDBIQJA-TUAOUCFPSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000632868781 373198445 /nfs/dbraw/zinc/19/84/45/373198445.db2.gz VPYIAQGKXPBWKU-GHMZBOCLSA-N 2 0 247.342 0.745 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632877940 373204291 /nfs/dbraw/zinc/20/42/91/373204291.db2.gz OEMRDTVXUKIANY-JQWIXIFHSA-N 2 0 237.347 0.339 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@]1(CC)CCC[NH2+]1 ZINC000449611418 205494063 /nfs/dbraw/zinc/49/40/63/205494063.db2.gz VPGTUJPVBYOZPI-ONGXEEELSA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000449611045 205495510 /nfs/dbraw/zinc/49/55/10/205495510.db2.gz UAHJLHVIMNUKLO-VHSXEESVSA-N 2 0 229.368 0.864 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000178468516 205635641 /nfs/dbraw/zinc/63/56/41/205635641.db2.gz QPTUNELPQKWGBA-NXEZZACHSA-N 2 0 213.325 0.372 20 0 BCADRP O=C(NCCC[NH+]1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000037467340 182167008 /nfs/dbraw/zinc/16/70/08/182167008.db2.gz ZHNAFDHNQQYFCJ-LBPRGKRZSA-N 2 0 239.363 0.731 20 0 BCADRP C[C@H]([NH3+])CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000634047428 373930354 /nfs/dbraw/zinc/93/03/54/373930354.db2.gz BQVMAKVLCIDHQN-JTQLQIEISA-N 2 0 242.367 0.685 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000634076417 373941218 /nfs/dbraw/zinc/94/12/18/373941218.db2.gz VXVZVHKYYLNAHR-QWRGUYRKSA-N 2 0 242.367 0.555 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000634076410 373941259 /nfs/dbraw/zinc/94/12/59/373941259.db2.gz VXVZVHKYYLNAHR-GHMZBOCLSA-N 2 0 242.367 0.555 20 0 BCADRP CC(=O)Nc1cc(N2CCN(C)CC2)cc[nH+]1 ZINC000634199983 374018787 /nfs/dbraw/zinc/01/87/87/374018787.db2.gz ZEZHHWGJUSNOSS-UHFFFAOYSA-N 2 0 234.303 0.792 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634270593 374081963 /nfs/dbraw/zinc/08/19/63/374081963.db2.gz OPVBVVDUWRLQPP-VHSXEESVSA-N 2 0 228.340 0.165 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634301012 374128822 /nfs/dbraw/zinc/12/88/22/374128822.db2.gz UCHAWUSODNOYIG-WDEREUQCSA-N 2 0 227.352 0.393 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634271013 374084874 /nfs/dbraw/zinc/08/48/74/374084874.db2.gz QBGGQJQRTDFMTH-VHSXEESVSA-N 2 0 228.340 0.023 20 0 BCADRP COCCCOCC[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000220392525 134306353 /nfs/dbraw/zinc/30/63/53/134306353.db2.gz WEKCQDJEPPBUAI-CYBMUJFWSA-N 2 0 244.379 0.971 20 0 BCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000188753211 182251880 /nfs/dbraw/zinc/25/18/80/182251880.db2.gz CEMIEJASAOERIG-GFCCVEGCSA-N 2 0 245.326 0.516 20 0 BCADRP O=C(NCc1c[nH]cn1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353818476 182270025 /nfs/dbraw/zinc/27/00/25/182270025.db2.gz VUSIANPIOLUUKY-NWDGAFQWSA-N 2 0 248.330 0.662 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000418388828 206017876 /nfs/dbraw/zinc/01/78/76/206017876.db2.gz VUUFSOCMILMYTH-VWYCJHECSA-N 2 0 240.351 0.308 20 0 BCADRP CN(C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCN(C)C1=O ZINC000246678635 374285748 /nfs/dbraw/zinc/28/57/48/374285748.db2.gz BAKYKKIQASNTMB-NEPJUHHUSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000424082190 206029147 /nfs/dbraw/zinc/02/91/47/206029147.db2.gz WECWJDLDRUYNQD-ONOSFVFSSA-N 2 0 219.288 0.992 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000424129665 206033167 /nfs/dbraw/zinc/03/31/67/206033167.db2.gz GJVGWLNDALQWTP-KXNHARMFSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCNCC1(F)F ZINC000424381572 206038875 /nfs/dbraw/zinc/03/88/75/206038875.db2.gz RABJBWKWGFMBTL-VHSXEESVSA-N 2 0 235.322 0.948 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424380339 206040486 /nfs/dbraw/zinc/04/04/86/206040486.db2.gz WWHVBOHXGIPJMS-OPRDCNLKSA-N 2 0 213.325 0.371 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000247065498 182304180 /nfs/dbraw/zinc/30/41/80/182304180.db2.gz VIVQDQFKJQIKRK-QCNOEVLYSA-N 2 0 237.347 0.385 20 0 BCADRP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC000366478743 182325870 /nfs/dbraw/zinc/32/58/70/182325870.db2.gz VLUGNBZAAQGOBT-MNOVXSKESA-N 2 0 237.347 0.244 20 0 BCADRP C[C@@H](NC(=O)[C@]1(C)CCCC[NH2+]1)[C@H](C)[NH3+] ZINC000449599268 206099013 /nfs/dbraw/zinc/09/90/13/206099013.db2.gz FZYSYWOJDATGCA-NGZCFLSTSA-N 2 0 213.325 0.371 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000368705263 182329602 /nfs/dbraw/zinc/32/96/02/182329602.db2.gz ZDDVBLIYVJXAIX-WDEREUQCSA-N 2 0 225.336 0.387 20 0 BCADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000044726730 182334144 /nfs/dbraw/zinc/33/41/44/182334144.db2.gz MNRZXWQSIHQOMO-GXSJLCMTSA-N 2 0 223.320 0.091 20 0 BCADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)[C@H]1CC[NH2+]C1 ZINC000371443834 182391931 /nfs/dbraw/zinc/39/19/31/182391931.db2.gz UECFZZROSDMKJY-VIFPVBQESA-N 2 0 246.314 0.275 20 0 BCADRP CC[NH2+][C@@H](C)CNC(=O)c1c[nH+]ccc1N ZINC000358934650 170139767 /nfs/dbraw/zinc/13/97/67/170139767.db2.gz KNGBAUAWFFBCIM-QMMMGPOBSA-N 2 0 222.292 0.222 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000178601098 134311925 /nfs/dbraw/zinc/31/19/25/134311925.db2.gz DXFSPXLMRBIZGY-GXSJLCMTSA-N 2 0 241.379 0.946 20 0 BCADRP COCCN1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178978325 134314024 /nfs/dbraw/zinc/31/40/24/134314024.db2.gz IHOZWBRNHQUXPV-UHFFFAOYSA-N 2 0 241.379 0.250 20 0 BCADRP OCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000360911591 183076837 /nfs/dbraw/zinc/07/68/37/183076837.db2.gz DRXOGGAONBCDEU-GRYCIOLGSA-N 2 0 210.321 0.395 20 0 BCADRP OCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000360911594 183077150 /nfs/dbraw/zinc/07/71/50/183077150.db2.gz DRXOGGAONBCDEU-WOPDTQHZSA-N 2 0 210.321 0.395 20 0 BCADRP OCCOC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000129980947 183082745 /nfs/dbraw/zinc/08/27/45/183082745.db2.gz NEQVTQZBFWXAKE-UHFFFAOYSA-N 2 0 242.363 0.459 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC000044526686 169005703 /nfs/dbraw/zinc/00/57/03/169005703.db2.gz KXPMXLDSRQXAKS-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000337515957 169006463 /nfs/dbraw/zinc/00/64/63/169006463.db2.gz QBNZROOBCVYUAX-AXFHLTTASA-N 2 0 227.352 0.700 20 0 BCADRP OC[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000359225406 183125595 /nfs/dbraw/zinc/12/55/95/183125595.db2.gz SWNTWNQATIFRGL-LBPRGKRZSA-N 2 0 228.336 0.069 20 0 BCADRP O[C@@H](C[NH2+]CC1CCOCC1)C[NH+]1CCCC1 ZINC000104194877 183179750 /nfs/dbraw/zinc/17/97/50/183179750.db2.gz WXMQDUQDXHNRPQ-ZDUSSCGKSA-N 2 0 242.363 0.459 20 0 BCADRP O[C@@H](C[NH2+][C@H]1CCCC[C@@H]1O)C[NH+]1CCCC1 ZINC000052014582 183180346 /nfs/dbraw/zinc/18/03/46/183180346.db2.gz NREYEYKDUKTLQO-AVGNSLFASA-N 2 0 242.363 0.336 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360816547 169068268 /nfs/dbraw/zinc/06/82/68/169068268.db2.gz HPMPJRPTZNDHGL-ZDUSSCGKSA-N 2 0 239.363 0.540 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360816546 169068493 /nfs/dbraw/zinc/06/84/93/169068493.db2.gz HPMPJRPTZNDHGL-CYBMUJFWSA-N 2 0 239.363 0.540 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)C[NH3+] ZINC000336648617 169071187 /nfs/dbraw/zinc/07/11/87/169071187.db2.gz CSDBLAHNRKRJCY-VIFPVBQESA-N 2 0 201.314 0.039 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[C@@H](C)[NH3+] ZINC000309525239 169071614 /nfs/dbraw/zinc/07/16/14/169071614.db2.gz CJWXJHWILYMLLY-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H](C)C[NH+](C)C ZINC000341310603 169073073 /nfs/dbraw/zinc/07/30/73/169073073.db2.gz ZLFQUZRCIUOQGG-NSHDSACASA-N 2 0 229.368 0.642 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)C ZINC000359254188 169073115 /nfs/dbraw/zinc/07/31/15/169073115.db2.gz SPDHKLVJAWEIJR-JTQLQIEISA-N 2 0 215.341 0.395 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000357421223 169076765 /nfs/dbraw/zinc/07/67/65/169076765.db2.gz SQFICSWDJABNSK-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COC)C1 ZINC000127319748 169078595 /nfs/dbraw/zinc/07/85/95/169078595.db2.gz XRQJSPVWVNZYLG-QWHCGFSZSA-N 2 0 244.379 0.657 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH3+])C1 ZINC000236764429 169078961 /nfs/dbraw/zinc/07/89/61/169078961.db2.gz NBOBLMAOBPJGEJ-LLVKDONJSA-N 2 0 227.352 0.526 20 0 BCADRP O[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@H](O)C2)C1 ZINC000337976751 183238515 /nfs/dbraw/zinc/23/85/15/183238515.db2.gz LZTRLJHYTXWCAK-BETUJISGSA-N 2 0 242.363 0.290 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H](C)C[NH2+]C ZINC000226407575 169119967 /nfs/dbraw/zinc/11/99/67/169119967.db2.gz NZHQCIWOAQHQAJ-LLVKDONJSA-N 2 0 229.368 0.690 20 0 BCADRP CCC[N@H+](CC)CCC(=O)N1CC[NH2+]CC1 ZINC000053298573 169120558 /nfs/dbraw/zinc/12/05/58/169120558.db2.gz HQIQFNPPMXTCCZ-UHFFFAOYSA-N 2 0 227.352 0.540 20 0 BCADRP CCC[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000053298577 169138631 /nfs/dbraw/zinc/13/86/31/169138631.db2.gz HOZZLUXTDIMJNK-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP CCCN(CCC)C(=O)CN1CC[C@H](C[NH3+])C1 ZINC000050248048 169141224 /nfs/dbraw/zinc/14/12/24/169141224.db2.gz RMOGMTTZVOSXPZ-GFCCVEGCSA-N 2 0 241.379 0.916 20 0 BCADRP CCC[NH+](CCC)CCCNC(=O)CC[NH3+] ZINC000236991279 169147314 /nfs/dbraw/zinc/14/73/14/169147314.db2.gz OFYVUCVDGBWMJM-UHFFFAOYSA-N 2 0 229.368 0.964 20 0 BCADRP CCC[N@H+](CCC1CC[NH2+]CC1)CC(=O)NC ZINC000042405120 169153721 /nfs/dbraw/zinc/15/37/21/169153721.db2.gz NVQSUXXNSMCPJR-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP CCC[NH+]1CCC(N(C)C(=O)[C@H](C)C[NH3+])CC1 ZINC000054342436 169186711 /nfs/dbraw/zinc/18/67/11/169186711.db2.gz YFFSMFALXVCFLU-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP CCC[NH+]1CCC(NC(=O)C[C@@H](C)[NH3+])CC1 ZINC000040829715 169188331 /nfs/dbraw/zinc/18/83/31/169188331.db2.gz QCOHVYGWRDQUBZ-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CCC[NH+]1CCC([NH2+]C[C@@H](C)O)CC1 ZINC000035112509 169188449 /nfs/dbraw/zinc/18/84/49/169188449.db2.gz UOZZIJIBCDDANE-SNVBAGLBSA-N 2 0 200.326 0.831 20 0 BCADRP CCC[NH+]1CCC(NC(=O)C[C@H](C)[NH3+])CC1 ZINC000040829716 169188824 /nfs/dbraw/zinc/18/88/24/169188824.db2.gz QCOHVYGWRDQUBZ-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CCC[N@@H+]1CCCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000367650972 169192309 /nfs/dbraw/zinc/19/23/09/169192309.db2.gz MHEILCNJWZICJA-NSHDSACASA-N 2 0 227.352 0.526 20 0 BCADRP CCC[N@@H+]1CCCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000373799138 169192856 /nfs/dbraw/zinc/19/28/56/169192856.db2.gz HGEUDIAFGWLZTP-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346134898 169194226 /nfs/dbraw/zinc/19/42/26/169194226.db2.gz KKPAKTYDPUGOCM-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063178698 169195092 /nfs/dbraw/zinc/19/50/92/169195092.db2.gz MYUDBONJRGQXEA-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)C ZINC000346134900 169196057 /nfs/dbraw/zinc/19/60/57/169196057.db2.gz KKPAKTYDPUGOCM-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC(N)=O)C1 ZINC000336751242 169208428 /nfs/dbraw/zinc/20/84/28/169208428.db2.gz CESKDRMLDRUDRE-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)NC)C1 ZINC000353651018 169209046 /nfs/dbraw/zinc/20/90/46/169209046.db2.gz YEBJHPPRVQWTDQ-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP CCCNC(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112801254 169210920 /nfs/dbraw/zinc/21/09/20/169210920.db2.gz IANYMEOCBPTUNO-GHMZBOCLSA-N 2 0 240.351 0.374 20 0 BCADRP CCCNC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626478 169220309 /nfs/dbraw/zinc/22/03/09/169220309.db2.gz WGGDVFWYOHILFK-LLVKDONJSA-N 2 0 227.352 0.573 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000377803676 169257850 /nfs/dbraw/zinc/25/78/50/169257850.db2.gz YZCUZMNZELPBFI-VXGBXAGGSA-N 2 0 241.379 0.736 20 0 BCADRP CCC[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC000236901487 169258068 /nfs/dbraw/zinc/25/80/68/169258068.db2.gz HYSJVAORWFABRG-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP CCC[NH2+]CCNC(=O)C[N@H+](C)CCC ZINC000338231221 169258424 /nfs/dbraw/zinc/25/84/24/169258424.db2.gz WNKRHZZRXLWFGW-UHFFFAOYSA-N 2 0 215.341 0.444 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000181015103 169258937 /nfs/dbraw/zinc/25/89/37/169258937.db2.gz QEWAYUIMFJXXRE-LBPRGKRZSA-N 2 0 227.352 0.634 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000236800252 169259685 /nfs/dbraw/zinc/25/96/85/169259685.db2.gz SPFQGVSVPKRFQM-VHSXEESVSA-N 2 0 215.341 0.476 20 0 BCADRP [NH3+]CCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000178824535 134315481 /nfs/dbraw/zinc/31/54/81/134315481.db2.gz LZTZTRFDOUXCOI-GFCCVEGCSA-N 2 0 239.363 0.670 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC000041679612 169389030 /nfs/dbraw/zinc/38/90/30/169389030.db2.gz LPNYPHSUEITYNT-SNVBAGLBSA-N 2 0 215.341 0.572 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000309014959 169389213 /nfs/dbraw/zinc/38/92/13/169389213.db2.gz UAEYGDSEPLLSJH-BDAKNGLRSA-N 2 0 201.314 0.213 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089327 169389297 /nfs/dbraw/zinc/38/92/97/169389297.db2.gz VYYOGWPNJYLODT-RKDXNWHRSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@]1(C(=O)N2CC[C@@H]([NH3+])C2)CCCC[NH2+]1 ZINC000180896341 134331993 /nfs/dbraw/zinc/33/19/93/134331993.db2.gz XCRVMXMXHQIIRN-MWLCHTKSSA-N 2 0 211.309 0.078 20 0 BCADRP C[NH2+]CCC[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000223989734 134343975 /nfs/dbraw/zinc/34/39/75/134343975.db2.gz ACSZCFDDFHQTAF-QWRGUYRKSA-N 2 0 200.326 0.953 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000226086343 134358582 /nfs/dbraw/zinc/35/85/82/134358582.db2.gz YRGDUHRTSZKUQO-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000226831103 134369815 /nfs/dbraw/zinc/36/98/15/134369815.db2.gz PJQSMFZWGLWATL-JHJVBQTASA-N 2 0 224.348 0.974 20 0 BCADRP CO[C@H](C[NH3+])C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000227374709 134379301 /nfs/dbraw/zinc/37/93/01/134379301.db2.gz RJISTIIZCYCJKA-WDEREUQCSA-N 2 0 245.367 0.053 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H]2CSCN2)CC[C@H]1[NH3+] ZINC000648124606 383841029 /nfs/dbraw/zinc/84/10/29/383841029.db2.gz AAOWLZRTOJKGFQ-OPRDCNLKSA-N 2 0 243.376 0.235 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368100422 383847018 /nfs/dbraw/zinc/84/70/18/383847018.db2.gz QCPYEPYYOKJHGC-LOWVWBTDSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[N@H+](C)CC1 ZINC000069838987 383847201 /nfs/dbraw/zinc/84/72/01/383847201.db2.gz HVYSIIUPNVSRLO-JTQLQIEISA-N 2 0 213.325 0.278 20 0 BCADRP CC[N@H+](C)CCNC(=O)CC[C@@H](C)[NH3+] ZINC000069840199 383849420 /nfs/dbraw/zinc/84/94/20/383849420.db2.gz BVGYKMXXKPSMJW-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP C[C@@H](C(=O)N(C)C1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000309379117 383862770 /nfs/dbraw/zinc/86/27/70/383862770.db2.gz DCJMPZRTGZJNKV-BDAKNGLRSA-N 2 0 213.325 0.180 20 0 BCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C1([NH3+])CC1 ZINC000237077936 383864712 /nfs/dbraw/zinc/86/47/12/383864712.db2.gz ZMGBVNUTIVDJEY-NSHDSACASA-N 2 0 239.363 0.811 20 0 BCADRP C[NH+](C)CCN(C(=O)CC[NH3+])C1CCCC1 ZINC000037825035 383866032 /nfs/dbraw/zinc/86/60/32/383866032.db2.gz VTJTUFVSRYZVCD-UHFFFAOYSA-N 2 0 227.352 0.668 20 0 BCADRP COCC[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000301048522 383878021 /nfs/dbraw/zinc/87/80/21/383878021.db2.gz QPGWCTVQESMWES-SNVBAGLBSA-N 2 0 204.314 0.319 20 0 BCADRP COC(=O)[C@H](C)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000069626994 383835006 /nfs/dbraw/zinc/83/50/06/383835006.db2.gz VGUNYJDQKMCDLX-KXUCPTDWSA-N 2 0 214.309 0.607 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@]12C[NH2+]C[C@H]1CCCC2 ZINC000357229286 383935369 /nfs/dbraw/zinc/93/53/69/383935369.db2.gz VOKIHXYPBSDNDN-WZRBSPASSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647148208 383891940 /nfs/dbraw/zinc/89/19/40/383891940.db2.gz JDHGYFLBRZGPBJ-XHNCKOQMSA-N 2 0 222.292 0.960 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC000646876263 383894125 /nfs/dbraw/zinc/89/41/25/383894125.db2.gz WOWZXNVODQWFOR-GRYCIOLGSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000569360866 383896437 /nfs/dbraw/zinc/89/64/37/383896437.db2.gz XRZCEWBLWGNIED-SNVBAGLBSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000335797509 383960743 /nfs/dbraw/zinc/96/07/43/383960743.db2.gz LKQXJBBHAKATDM-IUCAKERBSA-N 2 0 213.325 0.357 20 0 BCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H](C)[NH3+] ZINC000394296557 383968884 /nfs/dbraw/zinc/96/88/84/383968884.db2.gz QPVMHNRUQIBAEF-UTUOFQBUSA-N 2 0 211.353 0.892 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449359710 383973990 /nfs/dbraw/zinc/97/39/90/383973990.db2.gz QULGSOSHJGCOLC-MXWKQRLJSA-N 2 0 227.352 0.605 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186830257 384026282 /nfs/dbraw/zinc/02/62/82/384026282.db2.gz RUCUIRFNAMFXMQ-GHMZBOCLSA-N 2 0 227.352 0.441 20 0 BCADRP [NH3+]C1(Cc2nc([C@@H]3CCC[NH2+]3)no2)CCC1 ZINC000647156975 384043681 /nfs/dbraw/zinc/04/36/81/384043681.db2.gz YSRZOKDXKPCSOA-QMMMGPOBSA-N 2 0 222.292 0.918 20 0 BCADRP F[C@@]1(c2nc([C@@H]3CCC[NH2+]3)no2)CC[NH2+]C1 ZINC000647156673 384042279 /nfs/dbraw/zinc/04/22/79/384042279.db2.gz KZNDPGDKFOOELL-XVKPBYJWSA-N 2 0 226.255 0.652 20 0 BCADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000449375038 384061248 /nfs/dbraw/zinc/06/12/48/384061248.db2.gz DMVVTDUUODQNLP-WOPDTQHZSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H](C)Cn1ccnc1 ZINC000069839344 384065847 /nfs/dbraw/zinc/06/58/47/384065847.db2.gz JMTVNTUTYACUBM-NXEZZACHSA-N 2 0 224.308 0.515 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC[N@@H+]1C ZINC000648128832 384073172 /nfs/dbraw/zinc/07/31/72/384073172.db2.gz SVLNFRIAJOKTDW-IRCOFANPSA-N 2 0 239.363 0.583 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000648132140 384112497 /nfs/dbraw/zinc/11/24/97/384112497.db2.gz OJISOYHUBBMVEG-LPEHRKFASA-N 2 0 243.326 0.143 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000449385568 384133882 /nfs/dbraw/zinc/13/38/82/384133882.db2.gz GCGWQBBSXIWLMZ-MNOVXSKESA-N 2 0 241.379 0.736 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000449388291 384148713 /nfs/dbraw/zinc/14/87/13/384148713.db2.gz ZGYLHCOAYOXLCT-LLVKDONJSA-N 2 0 241.379 0.880 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000648136806 384157694 /nfs/dbraw/zinc/15/76/94/384157694.db2.gz SNMZQFVDVTUBFS-UZWSLXQKSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H](CNC(=O)CCC[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000237401048 384171849 /nfs/dbraw/zinc/17/18/49/384171849.db2.gz NBMFEWJSHFTDPK-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](CNC(=O)C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000237402574 384173786 /nfs/dbraw/zinc/17/37/86/384173786.db2.gz KFLZNSYHAZXXHT-LLVKDONJSA-N 2 0 235.331 0.582 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000648138909 384161793 /nfs/dbraw/zinc/16/17/93/384161793.db2.gz CYCJGRXFAIDAJZ-UWVGGRQHSA-N 2 0 246.314 0.176 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000178405364 384167155 /nfs/dbraw/zinc/16/71/55/384167155.db2.gz PZSOWNOOFPTANV-QWHCGFSZSA-N 2 0 247.342 0.364 20 0 BCADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000648141536 384170866 /nfs/dbraw/zinc/17/08/66/384170866.db2.gz YLLKSCRHEHBVOD-UTUOFQBUSA-N 2 0 249.358 0.339 20 0 BCADRP [NH3+]CCCCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000081018098 384178173 /nfs/dbraw/zinc/17/81/73/384178173.db2.gz FSQBGPSOGZEZOL-JTQLQIEISA-N 2 0 213.325 0.374 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1CCCCC[NH2+]1 ZINC000081002069 384179017 /nfs/dbraw/zinc/17/90/17/384179017.db2.gz SBAZWUHZGHYRLO-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C2([NH3+])CC2)CC[N@@H+]1C ZINC000132917931 384214611 /nfs/dbraw/zinc/21/46/11/384214611.db2.gz TYCFHPUPRDKBDP-RKDXNWHRSA-N 2 0 211.309 0.077 20 0 BCADRP Cn1cncc1C[NH2+]CCCC[NH+](C)C ZINC000082394777 384227062 /nfs/dbraw/zinc/22/70/62/384227062.db2.gz WOLLVXNIXOUJRC-UHFFFAOYSA-N 2 0 210.325 0.852 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644164987 384244364 /nfs/dbraw/zinc/24/43/64/384244364.db2.gz VOUBMRFLQHOTRI-QMMMGPOBSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000069626390 384246711 /nfs/dbraw/zinc/24/67/11/384246711.db2.gz MBIWMJAKOCJDIU-LBPRGKRZSA-N 2 0 222.336 0.944 20 0 BCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626357 384247025 /nfs/dbraw/zinc/24/70/25/384247025.db2.gz YDPMESOZXZCGDM-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644164357 384247964 /nfs/dbraw/zinc/24/79/64/384247964.db2.gz INLPXZLDGXNCKD-BDAKNGLRSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)[NH2+]C[C@@H]1CCCCN1CCO ZINC000082651693 384251326 /nfs/dbraw/zinc/25/13/26/384251326.db2.gz QMPHRQHNAPTDJR-NSHDSACASA-N 2 0 200.326 0.831 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)[C@@H]([NH3+])C1CCC1)C(F)F ZINC000569574691 384270503 /nfs/dbraw/zinc/27/05/03/384270503.db2.gz OJYBESFQKGRJRJ-SFYZADRCSA-N 2 0 235.278 0.213 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000073988516 384271536 /nfs/dbraw/zinc/27/15/36/384271536.db2.gz KSKGLUQHYORWCG-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP C[C@H](NC(=O)CC[NH3+])C(C)(C)C[NH+](C)C ZINC000237603353 384305109 /nfs/dbraw/zinc/30/51/09/384305109.db2.gz YVMZQYNALTUEBL-VIFPVBQESA-N 2 0 215.341 0.428 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])C1CCC1 ZINC000516925444 384308552 /nfs/dbraw/zinc/30/85/52/384308552.db2.gz REFMGVISOZUSAL-FBIMIBRVSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]([NH3+])C1CCC1 ZINC000516925443 384308857 /nfs/dbraw/zinc/30/88/57/384308857.db2.gz REFMGVISOZUSAL-DVVUODLYSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000168752772 384311508 /nfs/dbraw/zinc/31/15/08/384311508.db2.gz AJAIETYPBASZIS-NWDGAFQWSA-N 2 0 249.358 0.970 20 0 BCADRP c1cn(CC[N@@H+]2CCOC[C@H]2C2CC2)cn1 ZINC000133750604 384311748 /nfs/dbraw/zinc/31/17/48/384311748.db2.gz OIXRQIZTCQHAKD-LBPRGKRZSA-N 2 0 221.304 0.994 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000647507243 384314722 /nfs/dbraw/zinc/31/47/22/384314722.db2.gz MHKVOUOOVQLBRA-PWSUYJOCSA-N 2 0 227.352 0.034 20 0 BCADRP [NH3+]CC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000564988114 384322629 /nfs/dbraw/zinc/32/26/29/384322629.db2.gz JXHAVMKSVBXZPI-LBPRGKRZSA-N 3 0 211.353 0.657 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)CO1 ZINC000401910425 384284240 /nfs/dbraw/zinc/28/42/40/384284240.db2.gz KOENAMCNWNXZMB-CHWSQXEVSA-N 2 0 241.379 0.391 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C2([NH3+])CC2)C[N@@H+]1C1CC1 ZINC000237586725 384295053 /nfs/dbraw/zinc/29/50/53/384295053.db2.gz WHZSDBVROJKIBV-BDAKNGLRSA-N 2 0 223.320 0.219 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370773197 384295864 /nfs/dbraw/zinc/29/58/64/384295864.db2.gz NAVSNAVGFMAKOW-NOOOWODRSA-N 2 0 237.347 0.276 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000248510204 384350450 /nfs/dbraw/zinc/35/04/50/384350450.db2.gz ZSMIAKKTXAPNLV-GRYCIOLGSA-N 2 0 241.379 0.912 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000357362090 384360202 /nfs/dbraw/zinc/36/02/02/384360202.db2.gz GUEIGGRAONEMEZ-RYUDHWBXSA-N 2 0 239.363 0.858 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000095088030 384361145 /nfs/dbraw/zinc/36/11/45/384361145.db2.gz FVRWHERUUPESLT-SNVBAGLBSA-N 2 0 225.336 0.324 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCCO)[C@H](C)C1 ZINC000174778965 384363155 /nfs/dbraw/zinc/36/31/55/384363155.db2.gz HVIRELVYBCESBY-CHWSQXEVSA-N 2 0 244.379 0.657 20 0 BCADRP CC[NH2+]CC1CC[NH+](CCOCCOC)CC1 ZINC000078763512 384367621 /nfs/dbraw/zinc/36/76/21/384367621.db2.gz MPDOMDUBDWPVCO-UHFFFAOYSA-N 2 0 244.379 0.971 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000335600045 384370281 /nfs/dbraw/zinc/37/02/81/384370281.db2.gz FLBRPQSEKICQQT-NEPJUHHUSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CC[C@H](C)[NH3+] ZINC000248875150 384392429 /nfs/dbraw/zinc/39/24/29/384392429.db2.gz QKINOFYTZWYNRU-WDEREUQCSA-N 2 0 229.368 0.960 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000248873030 384394530 /nfs/dbraw/zinc/39/45/30/384394530.db2.gz PMZSSKOGAWAEDK-QCNOEVLYSA-N 2 0 239.363 0.761 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000040807231 384402362 /nfs/dbraw/zinc/40/23/62/384402362.db2.gz YECDCBKACJOBHJ-MRVPVSSYSA-N 2 0 201.314 0.180 20 0 BCADRP C[NH2+]CCCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000262676992 384403367 /nfs/dbraw/zinc/40/33/67/384403367.db2.gz SUIYMEZWKVNYPX-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000248883418 384407668 /nfs/dbraw/zinc/40/76/68/384407668.db2.gz TVILRYQEMNMYLR-DMDPSCGWSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@H](C)[NH3+] ZINC000648144900 384409887 /nfs/dbraw/zinc/40/98/87/384409887.db2.gz GQZWXTBAJBDSBF-JGVFFNPUSA-N 2 0 201.314 0.356 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000335630645 384410165 /nfs/dbraw/zinc/41/01/65/384410165.db2.gz UONVXDSVRFHDBE-SNVBAGLBSA-N 2 0 205.261 0.446 20 0 BCADRP CC(C)([NH3+])CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000647513346 384417999 /nfs/dbraw/zinc/41/79/99/384417999.db2.gz VBTBDOQBMBTPEJ-LBPRGKRZSA-N 2 0 241.379 0.520 20 0 BCADRP c1cnc(CCN2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000403044771 384422699 /nfs/dbraw/zinc/42/26/99/384422699.db2.gz GTBDDVNVALCLOA-QWRGUYRKSA-N 2 0 218.304 0.170 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC1CC[NH2+]CC1 ZINC000335605245 384375937 /nfs/dbraw/zinc/37/59/37/384375937.db2.gz HTQPASBDBAWNGE-ZYHUDNBSSA-N 3 0 211.353 0.655 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC[NH+]1CCCCC1 ZINC000069839972 384386491 /nfs/dbraw/zinc/38/64/91/384386491.db2.gz NKHLMGYXQNVPCO-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000648145265 384446230 /nfs/dbraw/zinc/44/62/30/384446230.db2.gz WZEFFIRMCLDNEG-QXEWZRGKSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000648145262 384446473 /nfs/dbraw/zinc/44/64/73/384446473.db2.gz WZEFFIRMCLDNEG-ATZCPNFKSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648145775 384451391 /nfs/dbraw/zinc/45/13/91/384451391.db2.gz FSJZUPLTVASCPC-SFYZADRCSA-N 2 0 235.278 0.085 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000565003870 384456366 /nfs/dbraw/zinc/45/63/66/384456366.db2.gz LNCYBWQWHOUDEJ-OPRDCNLKSA-N 2 0 215.341 0.617 20 0 BCADRP C[NH+](C)C1CCN(CCCCO)CC1 ZINC000036192889 384431190 /nfs/dbraw/zinc/43/11/90/384431190.db2.gz YIAUYGYNJDIHIN-UHFFFAOYSA-N 2 0 200.326 0.785 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000249007219 384457088 /nfs/dbraw/zinc/45/70/88/384457088.db2.gz JEMAQFPESHBLTH-BJDJZHNGSA-N 2 0 241.379 0.959 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)CC1([NH3+])CCC1 ZINC000648180197 384461800 /nfs/dbraw/zinc/46/18/00/384461800.db2.gz DVTAVHZNRYIRKK-NXEZZACHSA-N 2 0 225.336 0.644 20 0 BCADRP C[NH+](C)[C@@H]1CCCN([C@@H]2COC[C@H]2O)CC1 ZINC000361395400 384465919 /nfs/dbraw/zinc/46/59/19/384465919.db2.gz NVWJUFGCALOZQQ-IJLUTSLNSA-N 2 0 228.336 0.162 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000449543755 384472633 /nfs/dbraw/zinc/47/26/33/384472633.db2.gz OVXAERJPKZYZQW-WRWGMCAJSA-N 2 0 241.379 0.877 20 0 BCADRP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000397317368 384473142 /nfs/dbraw/zinc/47/31/42/384473142.db2.gz LRPOOXYWNDYJPB-VWYCJHECSA-N 2 0 227.352 0.380 20 0 BCADRP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000397317364 384473466 /nfs/dbraw/zinc/47/34/66/384473466.db2.gz LRPOOXYWNDYJPB-MXWKQRLJSA-N 2 0 227.352 0.380 20 0 BCADRP C[N@H+](CCOCCO)C[C@@H]1CCC[NH+](C)C1 ZINC000172585165 384498982 /nfs/dbraw/zinc/49/89/82/384498982.db2.gz NCCCRPQOBZKFQA-GFCCVEGCSA-N 2 0 230.352 0.269 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CCCC1 ZINC000648176733 384502208 /nfs/dbraw/zinc/50/22/08/384502208.db2.gz KYLCXWWCGQPTFI-WHOHXGKFSA-N 2 0 237.347 0.086 20 0 BCADRP CN(C)C(=O)C(C)(C)[NH2+]CC1CC[NH2+]CC1 ZINC000647518077 384493283 /nfs/dbraw/zinc/49/32/83/384493283.db2.gz BUSQDIZYDLDXKM-UHFFFAOYSA-N 2 0 227.352 0.442 20 0 BCADRP C(C1CC[NH2+]CC1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000085540490 384534250 /nfs/dbraw/zinc/53/42/50/384534250.db2.gz TXRIKDYBCNJQBU-TXEJJXNPSA-N 2 0 210.321 0.849 20 0 BCADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)CC[NH3+] ZINC000037801506 384534899 /nfs/dbraw/zinc/53/48/99/384534899.db2.gz HPAXNHGPTJYRGP-UHFFFAOYSA-N 2 0 249.358 0.926 20 0 BCADRP CNC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150817802 384514995 /nfs/dbraw/zinc/51/49/95/384514995.db2.gz AODAREHLHLHWPK-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000569605691 384524890 /nfs/dbraw/zinc/52/48/90/384524890.db2.gz PFENRCJMIBRCSD-WISYIIOYSA-N 3 0 211.353 0.986 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000569607382 384531403 /nfs/dbraw/zinc/53/14/03/384531403.db2.gz NGDYZLQYNOTOKQ-GHMZBOCLSA-N 2 0 233.315 0.640 20 0 BCADRP C[C@H](C[NH2+][C@H]1CO[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000647180385 384533282 /nfs/dbraw/zinc/53/32/82/384533282.db2.gz VULIAPHYDGMCNP-JHJVBQTASA-N 2 0 241.379 0.389 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(CC(=O)NC(C)(C)C)C1 ZINC000111696038 384561712 /nfs/dbraw/zinc/56/17/12/384561712.db2.gz GBCWWCCMHKRVIB-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040624254 384588330 /nfs/dbraw/zinc/58/83/30/384588330.db2.gz QNVKRXAFSLDOOI-RYUDHWBXSA-N 2 0 241.379 0.816 20 0 BCADRP O=C(NC[C@H]1CCCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000258324922 384565148 /nfs/dbraw/zinc/56/51/48/384565148.db2.gz DLNYFYWTGWHIIM-GHMZBOCLSA-N 2 0 240.351 0.180 20 0 BCADRP CC[NH+](CC)CC[C@@H](CO)[NH2+]C[C@@H](C)O ZINC000647530392 384607835 /nfs/dbraw/zinc/60/78/35/384607835.db2.gz DLGPJPVCSLHKDO-MNOVXSKESA-N 2 0 218.341 0.050 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000309783970 384609419 /nfs/dbraw/zinc/60/94/19/384609419.db2.gz RYBYTPJLUJPKBV-WHXUTIOJSA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@@H](O)C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000647529776 384611699 /nfs/dbraw/zinc/61/16/99/384611699.db2.gz AZZRAUHBBUDMAO-VXGBXAGGSA-N 2 0 230.352 0.194 20 0 BCADRP COC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037859764 384618197 /nfs/dbraw/zinc/61/81/97/384618197.db2.gz AIPWWJIEPIBERG-MNOVXSKESA-N 2 0 216.325 0.068 20 0 BCADRP C[C@@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1C[NH3+] ZINC000643079579 384619852 /nfs/dbraw/zinc/61/98/52/384619852.db2.gz IQTXGGXZOXQELM-YPMHNXCESA-N 2 0 249.358 0.802 20 0 BCADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000037889554 384627465 /nfs/dbraw/zinc/62/74/65/384627465.db2.gz FMVKFIHXHOEPHD-PWSUYJOCSA-N 2 0 212.337 0.831 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC[NH+]1CCC(C)CC1 ZINC000040772648 384592745 /nfs/dbraw/zinc/59/27/45/384592745.db2.gz BVRDWIALFUWQOE-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000236837987 384592748 /nfs/dbraw/zinc/59/27/48/384592748.db2.gz GTMLFNUQUVWHDW-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP CCN(C(=O)[C@@H]1C[C@@H]1[NH3+])[C@@H]1CCC[NH2+]CC1 ZINC000517961309 384593404 /nfs/dbraw/zinc/59/34/04/384593404.db2.gz PEGROVQLOMDTIO-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP Cc1n[nH]cc1CNCC[C@H]1CCC[NH2+]1 ZINC000556939121 384664670 /nfs/dbraw/zinc/66/46/70/384664670.db2.gz HEBCULJMJNANAM-LLVKDONJSA-N 2 0 208.309 0.950 20 0 BCADRP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000556937588 384666548 /nfs/dbraw/zinc/66/65/48/384666548.db2.gz UOHFJFANBOOQPF-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@]1(C[N@@H+]2CC[C@@H](n3cncn3)C2)CC[NH2+]C1 ZINC000647538497 384668430 /nfs/dbraw/zinc/66/84/30/384668430.db2.gz VNUKFGKOJBGBLN-NEPJUHHUSA-N 2 0 235.335 0.525 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000178826227 384676523 /nfs/dbraw/zinc/67/65/23/384676523.db2.gz PPNWTLYEOFUDSM-SECBINFHSA-N 2 0 227.352 0.700 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000569349542 384638484 /nfs/dbraw/zinc/63/84/84/384638484.db2.gz LLZNAMVQXCSXOI-AVGNSLFASA-N 2 0 242.363 0.899 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449084144 384640359 /nfs/dbraw/zinc/64/03/59/384640359.db2.gz FRMCKFZBDJPDGR-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]CC1(CN2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000647534329 384646503 /nfs/dbraw/zinc/64/65/03/384646503.db2.gz KVQYXONDKBLRKJ-QWRGUYRKSA-N 2 0 209.337 0.409 20 0 BCADRP [NH3+][C@H](CC(=O)NCC1C[NH2+]C1)c1ccccc1 ZINC000646901480 384652433 /nfs/dbraw/zinc/65/24/33/384652433.db2.gz AFZCADGRYJJDGL-GFCCVEGCSA-N 2 0 233.315 0.412 20 0 BCADRP CN(C[C@@]1(C)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000309492037 384653506 /nfs/dbraw/zinc/65/35/06/384653506.db2.gz IVKTVLWWZARPKI-LBPRGKRZSA-N 2 0 211.353 0.670 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000449598545 384662275 /nfs/dbraw/zinc/66/22/75/384662275.db2.gz IQKYKVUPFPAFNV-TUAOUCFPSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]CCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000086932191 384723090 /nfs/dbraw/zinc/72/30/90/384723090.db2.gz QDCJJUHYKONMBA-NWDGAFQWSA-N 2 0 211.353 0.764 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000449601199 384676910 /nfs/dbraw/zinc/67/69/10/384676910.db2.gz QXPHOVZEIIAJJS-JQWIXIFHSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](CC(C)(C)O)CC1 ZINC000082475096 384686785 /nfs/dbraw/zinc/68/67/85/384686785.db2.gz KZTZRZLXMFAHND-VIFPVBQESA-N 2 0 200.326 0.817 20 0 BCADRP C[NH+](C)Cc1ccc(C(=O)NCC2C[NH2+]C2)cc1 ZINC000646901769 384689025 /nfs/dbraw/zinc/68/90/25/384689025.db2.gz NOOJIATZKLAHDF-UHFFFAOYSA-N 2 0 247.342 0.697 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449604195 384690313 /nfs/dbraw/zinc/69/03/13/384690313.db2.gz SOTFTZWSUHUCGQ-DTWKUNHWSA-N 2 0 201.314 0.180 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC1C[NH2+]C1 ZINC000646901826 384694815 /nfs/dbraw/zinc/69/48/15/384694815.db2.gz PDJDUJMXCQJDFH-SNVBAGLBSA-N 2 0 227.352 0.346 20 0 BCADRP C[C@]1(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC[NH2+]C1 ZINC000647542282 384705812 /nfs/dbraw/zinc/70/58/12/384705812.db2.gz DRFHPAFWENVEOJ-AGIUHOORSA-N 3 0 223.364 0.670 20 0 BCADRP C[NH2+]CC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000083914413 384774688 /nfs/dbraw/zinc/77/46/88/384774688.db2.gz ZFLPWDAIBPFTTH-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC[NH2+]C1 ZINC000368565554 384776042 /nfs/dbraw/zinc/77/60/42/384776042.db2.gz AZWGXHORMDIGDZ-MDZLAQPJSA-N 2 0 239.363 0.620 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368371989 384776432 /nfs/dbraw/zinc/77/64/32/384776432.db2.gz YPRFEQOEIKYLFC-MDZLAQPJSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000145748694 384780925 /nfs/dbraw/zinc/78/09/25/384780925.db2.gz GZQSHSCCIZROTM-QWHCGFSZSA-N 2 0 247.342 0.425 20 0 BCADRP C[C@H]1C[NH2+]C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000647546534 384729204 /nfs/dbraw/zinc/72/92/04/384729204.db2.gz OCZQYGVKWRKKBG-VKYHIEHISA-N 2 0 223.364 0.857 20 0 BCADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000647546417 384729961 /nfs/dbraw/zinc/72/99/61/384729961.db2.gz JLEPFRWRSXTKPY-LOWDOPEQSA-N 3 0 223.364 0.716 20 0 BCADRP C[C@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]C1 ZINC000647546513 384730389 /nfs/dbraw/zinc/73/03/89/384730389.db2.gz NFZWMENQISMSLJ-HNGCFSAESA-N 2 0 223.364 0.859 20 0 BCADRP CCC[NH2+]CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546973 384732675 /nfs/dbraw/zinc/73/26/75/384732675.db2.gz IPRGBBRYBXFALX-RWMBFGLXSA-N 3 0 225.380 0.964 20 0 BCADRP C[C@H](N[C@H]1C[NH2+]C[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000647546729 384732833 /nfs/dbraw/zinc/73/28/33/384732833.db2.gz YBECZBSTBQTWPA-ZDEQEGDKSA-N 2 0 225.380 0.962 20 0 BCADRP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@@H]3CCCNC3)CC[C@@H]12 ZINC000647546845 384733000 /nfs/dbraw/zinc/73/30/00/384733000.db2.gz DHLZCDWZJQAELI-UMSGYPCISA-N 2 0 223.364 0.716 20 0 BCADRP CC[N@H+](C)CCNC(=O)CC[NH2+]C1CC1 ZINC000054133237 384733440 /nfs/dbraw/zinc/73/34/40/384733440.db2.gz YTPYIMIZABZRHA-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP C1[NH2+]C[C@@H]2[C@H]1[C@H]2[NH2+][C@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647547438 384736296 /nfs/dbraw/zinc/73/62/96/384736296.db2.gz WKWFATIMAPTBBG-USTYEKHQSA-N 3 0 221.348 0.182 20 0 BCADRP C[NH2+]CCCN(C)C(=O)c1c[nH+]ccc1N ZINC000648177995 384737099 /nfs/dbraw/zinc/73/70/99/384737099.db2.gz GWLKHAPIMWFCNN-UHFFFAOYSA-N 2 0 222.292 0.176 20 0 BCADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647547167 384737732 /nfs/dbraw/zinc/73/77/32/384737732.db2.gz PNNCVWSJFODZFI-WHOHXGKFSA-N 3 0 211.353 0.701 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000647547123 384737937 /nfs/dbraw/zinc/73/79/37/384737937.db2.gz OHRLHLDDSJWGNA-IRCOFANPSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648186100 384738852 /nfs/dbraw/zinc/73/88/52/384738852.db2.gz NQNIICCMWHATPO-GHMZBOCLSA-N 2 0 239.363 0.905 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H](C)[NH3+] ZINC000648185944 384739830 /nfs/dbraw/zinc/73/98/30/384739830.db2.gz JSABCERGMVVXBL-OUAUKWLOSA-N 2 0 239.363 0.761 20 0 BCADRP CC[C@]1(C(=O)N[C@H](CC[NH3+])C(F)F)CCC[NH2+]1 ZINC000449621474 384742824 /nfs/dbraw/zinc/74/28/24/384742824.db2.gz HNUMXXCZJVXURZ-LDYMZIIASA-N 2 0 249.305 0.617 20 0 BCADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(C)C[NH2+]C1 ZINC000335037453 384779591 /nfs/dbraw/zinc/77/95/91/384779591.db2.gz IBDJMHLHEWONKD-MNOVXSKESA-N 2 0 237.347 0.291 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647549958 384747792 /nfs/dbraw/zinc/74/77/92/384747792.db2.gz ZANOYZYWKBYWKF-FVCCEPFGSA-N 2 0 249.362 0.644 20 0 BCADRP C[C@H]([NH3+])CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000107213658 384779673 /nfs/dbraw/zinc/77/96/73/384779673.db2.gz PKNXUJDEJKECSK-NWDGAFQWSA-N 2 0 211.353 0.751 20 0 BCADRP C([NH2+][C@H]1CC12CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC000647548066 384749886 /nfs/dbraw/zinc/74/98/86/384749886.db2.gz UKDMVJGVZADHFB-LBPRGKRZSA-N 3 0 223.364 0.718 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000647548028 384750751 /nfs/dbraw/zinc/75/07/51/384750751.db2.gz SEYYVZJVNVLPDY-NAKRPEOUSA-N 2 0 215.316 0.274 20 0 BCADRP C[C@@H]1CNC[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000647548077 384751284 /nfs/dbraw/zinc/75/12/84/384751284.db2.gz USRXDWRQKSGOIO-IRCOFANPSA-N 2 0 211.353 0.701 20 0 BCADRP [NH3+]C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000647551862 384752654 /nfs/dbraw/zinc/75/26/54/384752654.db2.gz RXJIAKNXNZYHLK-VXGBXAGGSA-N 2 0 227.352 0.036 20 0 BCADRP [NH3+]C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CCCO1 ZINC000647551860 384754491 /nfs/dbraw/zinc/75/44/91/384754491.db2.gz RXJIAKNXNZYHLK-NWDGAFQWSA-N 2 0 227.352 0.036 20 0 BCADRP [NH3+]C[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000647551859 384754851 /nfs/dbraw/zinc/75/48/51/384754851.db2.gz RXJIAKNXNZYHLK-NEPJUHHUSA-N 2 0 227.352 0.036 20 0 BCADRP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000423210456 384760468 /nfs/dbraw/zinc/76/04/68/384760468.db2.gz WROGRXGKKZBOTJ-CHWSQXEVSA-N 2 0 223.364 0.670 20 0 BCADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(C)C[NH2+]C1 ZINC000335037454 384780090 /nfs/dbraw/zinc/78/00/90/384780090.db2.gz IBDJMHLHEWONKD-QWRGUYRKSA-N 2 0 237.347 0.291 20 0 BCADRP CC(C)[C@@H]1CC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423207123 384760981 /nfs/dbraw/zinc/76/09/81/384760981.db2.gz RBEAIIWDLOKNPE-QWHCGFSZSA-N 2 0 225.380 0.916 20 0 BCADRP [NH3+][C@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000646902792 384817697 /nfs/dbraw/zinc/81/76/97/384817697.db2.gz YOSRNBQNGWJJGR-WDEREUQCSA-N 2 0 225.336 0.372 20 0 BCADRP COC[C@@H](C)[N@H+](C)CC1CC[NH2+]CC1 ZINC000042519555 384819154 /nfs/dbraw/zinc/81/91/54/384819154.db2.gz LGAHHTZNBZUHNR-SNVBAGLBSA-N 2 0 200.326 0.953 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000648202441 384825244 /nfs/dbraw/zinc/82/52/44/384825244.db2.gz RSJXSNPNXIMSIW-CYBMUJFWSA-N 2 0 247.342 0.761 20 0 BCADRP C[C@H](C[NH2+][C@@H](C)CC(N)=O)C[NH+]1CCCC1 ZINC000336754834 384827968 /nfs/dbraw/zinc/82/79/68/384827968.db2.gz XIUDMTXVXCPLBG-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CCC[NH3+] ZINC000309779947 384828439 /nfs/dbraw/zinc/82/84/39/384828439.db2.gz MQUDIPFQKASNBV-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)C[C@H]1CCC[NH2+]1 ZINC000518188192 384783601 /nfs/dbraw/zinc/78/36/01/384783601.db2.gz ICRQLUCSGSQBHX-SNVBAGLBSA-N 2 0 227.352 0.762 20 0 BCADRP COC(=O)CCCN1C[C@@H]([NH3+])C[C@@H]1C ZINC000601330061 384789820 /nfs/dbraw/zinc/78/98/20/384789820.db2.gz PXAFBCYZEFPZAN-IUCAKERBSA-N 2 0 200.282 0.361 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000083836044 384799556 /nfs/dbraw/zinc/79/95/56/384799556.db2.gz NGLUZCGHCSHHJB-SNVBAGLBSA-N 2 0 223.320 0.174 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)CC1([NH3+])CCC1 ZINC000648188182 384799717 /nfs/dbraw/zinc/79/97/17/384799717.db2.gz XIXHHLRUKAXTMC-BDAKNGLRSA-N 2 0 213.325 0.500 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449644631 384802121 /nfs/dbraw/zinc/80/21/21/384802121.db2.gz KBTKFLDJRQFRDT-VHSXEESVSA-N 2 0 248.330 0.741 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648190313 384803781 /nfs/dbraw/zinc/80/37/81/384803781.db2.gz QJJAKLMTFQWDPW-YIZRAAEISA-N 2 0 249.305 0.473 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449650277 384815447 /nfs/dbraw/zinc/81/54/47/384815447.db2.gz TYMPHHLKUBWCEI-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000086271854 384870293 /nfs/dbraw/zinc/87/02/93/384870293.db2.gz JYLYXHZQSDMBBJ-MNOVXSKESA-N 2 0 227.352 0.441 20 0 BCADRP CCCC[C@H](C)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000305956483 384879256 /nfs/dbraw/zinc/87/92/56/384879256.db2.gz DRMSBEHBUBSLAQ-NWDGAFQWSA-N 2 0 241.379 0.914 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648205690 384842107 /nfs/dbraw/zinc/84/21/07/384842107.db2.gz LJJDAGFWTXWTRR-QWRGUYRKSA-N 2 0 239.363 0.633 20 0 BCADRP C[N@H+](C[C@H](O)CN1CCC[C@H](CO)C1)C1CC1 ZINC000310135324 384850081 /nfs/dbraw/zinc/85/00/81/384850081.db2.gz ZDXBHLBLMRYKGX-AAEUAGOBSA-N 2 0 242.363 0.146 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648210253 384854141 /nfs/dbraw/zinc/85/41/41/384854141.db2.gz NQMSKZMDZLUOQB-VHSXEESVSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000648211190 384861297 /nfs/dbraw/zinc/86/12/97/384861297.db2.gz KQSQAZDBDRIFNF-OUAUKWLOSA-N 2 0 237.347 0.515 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CCOC(F)(F)F ZINC000398254943 384864354 /nfs/dbraw/zinc/86/43/54/384864354.db2.gz PWQCVCHRXZSOJZ-MRVPVSSYSA-N 2 0 244.257 0.866 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000568628866 384949430 /nfs/dbraw/zinc/94/94/30/384949430.db2.gz HJLUGTLUHWSANP-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000156769664 384954301 /nfs/dbraw/zinc/95/43/01/384954301.db2.gz YWTZSIMJPDRISI-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP Fc1ccc(C[NH2+]C[C@@H]2CNCCO2)cc1 ZINC000258984126 384954622 /nfs/dbraw/zinc/95/46/22/384954622.db2.gz UXVALDUJTYNXGQ-LBPRGKRZSA-N 2 0 224.279 0.904 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH+](C)C ZINC000557466883 384957246 /nfs/dbraw/zinc/95/72/46/384957246.db2.gz BIWIICGPPHSUMI-GHMZBOCLSA-N 2 0 227.352 0.252 20 0 BCADRP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)C1CC1 ZINC000101956871 384900631 /nfs/dbraw/zinc/90/06/31/384900631.db2.gz RDCXGUJJCOJQLX-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000262654490 384906703 /nfs/dbraw/zinc/90/67/03/384906703.db2.gz BYHFSAHWZBPQAD-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP O[C@@H]1CC[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC000156628496 384911398 /nfs/dbraw/zinc/91/13/98/384911398.db2.gz QYUWWSZHDZZYIO-RWMBFGLXSA-N 2 0 224.348 0.689 20 0 BCADRP O[C@@H]1CC[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]12 ZINC000156628764 384912629 /nfs/dbraw/zinc/91/26/29/384912629.db2.gz QYUWWSZHDZZYIO-YNEHKIRRSA-N 2 0 224.348 0.689 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000257362137 384923062 /nfs/dbraw/zinc/92/30/62/384923062.db2.gz JDVNFTZJPCEBFT-OUAUKWLOSA-N 2 0 223.320 0.030 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000257752896 384924522 /nfs/dbraw/zinc/92/45/22/384924522.db2.gz MMIDTTLSHLUKHS-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+]1CCC(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000257709670 384924977 /nfs/dbraw/zinc/92/49/77/384924977.db2.gz QJOYZEHSRQEGLQ-NSHDSACASA-N 2 0 239.363 0.444 20 0 BCADRP CC(C)[C@H]1CNCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000257773222 384928227 /nfs/dbraw/zinc/92/82/27/384928227.db2.gz DSKSEXCKEKXRMT-QWHCGFSZSA-N 2 0 225.380 0.916 20 0 BCADRP CCC[C@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000644515665 384929764 /nfs/dbraw/zinc/92/97/64/384929764.db2.gz MYBGWODNXGLARF-QWHCGFSZSA-N 2 0 243.395 0.373 20 0 BCADRP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C)C1C[NH2+]C1 ZINC000226078103 384938786 /nfs/dbraw/zinc/93/87/86/384938786.db2.gz DHXDSSZUGFKCSQ-MWLCHTKSSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)C1C[NH2+]C1 ZINC000226078093 384939283 /nfs/dbraw/zinc/93/92/83/384939283.db2.gz DHXDSSZUGFKCSQ-ONGXEEELSA-N 2 0 225.336 0.052 20 0 BCADRP CC[N@H+](C)CCNc1cc[nH+]cc1C(N)=O ZINC000302046481 384941863 /nfs/dbraw/zinc/94/18/63/384941863.db2.gz UXEUMJHNIMPSOM-UHFFFAOYSA-N 2 0 222.292 0.544 20 0 BCADRP COCCC[NH+]1CCC([NH2+]C[C@@H](C)O)CC1 ZINC000644540828 384946859 /nfs/dbraw/zinc/94/68/59/384946859.db2.gz FEZTZNYEAYYXAZ-LLVKDONJSA-N 2 0 230.352 0.458 20 0 BCADRP COC(=O)CCC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000300826255 384969098 /nfs/dbraw/zinc/96/90/98/384969098.db2.gz JNLIWWYRJXFQIQ-JTQLQIEISA-N 2 0 228.336 0.917 20 0 BCADRP C[C@]1(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CCC[NH2+]1 ZINC000518360967 384978159 /nfs/dbraw/zinc/97/81/59/384978159.db2.gz HWXKUTMCOLSZBJ-SRRSOLGSSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)Cn1ccnc1CNC(=O)C[NH+](C)C ZINC000175924879 384983474 /nfs/dbraw/zinc/98/34/74/384983474.db2.gz CVTGNHPQTNVANC-UHFFFAOYSA-N 2 0 238.335 0.717 20 0 BCADRP C[N@H+](CCn1cccn1)C[C@H]1CCC[NH2+]C1 ZINC000226439655 385022104 /nfs/dbraw/zinc/02/21/04/385022104.db2.gz XJCGVXPPFITOAE-LBPRGKRZSA-N 2 0 222.336 0.815 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N)C1 ZINC000128092634 384994050 /nfs/dbraw/zinc/99/40/50/384994050.db2.gz CYIBEDAZVCZHHP-SNVBAGLBSA-N 2 0 248.330 0.830 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CN1CCOCC1 ZINC000310344208 384995840 /nfs/dbraw/zinc/99/58/40/384995840.db2.gz FNTXIJDTVXKPIG-OLZOCXBDSA-N 2 0 243.395 0.814 20 0 BCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc[nH]c1 ZINC000086253241 385001437 /nfs/dbraw/zinc/00/14/37/385001437.db2.gz WOONHYGDDIVRRM-GFCCVEGCSA-N 2 0 236.363 0.740 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC000648148572 385001744 /nfs/dbraw/zinc/00/17/44/385001744.db2.gz PNJFAKWKLFDGNI-WRWGMCAJSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000648148530 385001785 /nfs/dbraw/zinc/00/17/85/385001785.db2.gz NMUVAYNPRDJVPK-NXEZZACHSA-N 2 0 227.352 0.748 20 0 BCADRP CC[N@H+](CCNC(=O)C(C)(C)C[NH3+])C1CC1 ZINC000226397595 385008611 /nfs/dbraw/zinc/00/86/11/385008611.db2.gz MSJCKKLKKPLCKP-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH+](C)CCn1ccc(NC(=O)C(C)(C)[NH3+])n1 ZINC000236989190 385009215 /nfs/dbraw/zinc/00/92/15/385009215.db2.gz IXXDYKWUMJMEMJ-UHFFFAOYSA-N 2 0 239.323 0.121 20 0 BCADRP COC[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000304652270 385018797 /nfs/dbraw/zinc/01/87/97/385018797.db2.gz YMRPGZHHAISFQX-NWDGAFQWSA-N 2 0 227.352 0.001 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)C(F)(F)F ZINC000648148712 385020023 /nfs/dbraw/zinc/02/00/23/385020023.db2.gz YMLZDAZUTLRYAZ-DSYKOEDSSA-N 2 0 239.241 0.120 20 0 BCADRP CC[C@H](O)C[NH2+][C@H]1CCn2ccnc2C1 ZINC000644625728 385020494 /nfs/dbraw/zinc/02/04/94/385020494.db2.gz NPUZOLGMJPBRSE-UWVGGRQHSA-N 2 0 209.293 0.558 20 0 BCADRP Cc1cc(CN(C)C[C@@H](O)C[NH3+])ccc1F ZINC000259196532 384962891 /nfs/dbraw/zinc/96/28/91/384962891.db2.gz WSAOHXFXKHDQPS-NSHDSACASA-N 2 0 226.295 0.886 20 0 BCADRP O=C(NCC1CC[NH2+]CC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000564945906 384963840 /nfs/dbraw/zinc/96/38/40/384963840.db2.gz ZTYVAKOYHMAFQZ-YPMHNXCESA-N 2 0 237.347 0.102 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000449723725 385059544 /nfs/dbraw/zinc/05/95/44/385059544.db2.gz LZPVEIJGMYGWSA-RKDXNWHRSA-N 2 0 234.303 0.351 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000449729486 385074519 /nfs/dbraw/zinc/07/45/19/385074519.db2.gz ZWIRIUISUWAGFX-NQBHXWOUSA-N 2 0 239.363 0.762 20 0 BCADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ncc[nH]1 ZINC000150998030 385081798 /nfs/dbraw/zinc/08/17/98/385081798.db2.gz ZFOGUDWMFPWWNN-LLVKDONJSA-N 2 0 240.351 0.856 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000646979380 385108481 /nfs/dbraw/zinc/10/84/81/385108481.db2.gz GIHAZFCKDOPUFG-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000646985485 385112218 /nfs/dbraw/zinc/11/22/18/385112218.db2.gz AFTHSMYHUUDHNJ-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@@H]1CN(C(=O)C2([NH3+])CCC2)CC[C@H]1[NH3+] ZINC000647006127 385141573 /nfs/dbraw/zinc/14/15/73/385141573.db2.gz LJDWMCACCGZWTP-NXEZZACHSA-N 2 0 225.336 0.454 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000359252661 385114534 /nfs/dbraw/zinc/11/45/34/385114534.db2.gz YLSZIIPEHLBGEA-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP O=C([C@H]1CCCC[NH2+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000157253391 385116996 /nfs/dbraw/zinc/11/69/96/385116996.db2.gz RTISIMNQMCYPQL-NWDGAFQWSA-N 2 0 237.347 0.435 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)N[C@H]1CCC[NH2+]CC1 ZINC000646988181 385117138 /nfs/dbraw/zinc/11/71/38/385117138.db2.gz IFHMBCRGSHTMLQ-RYUDHWBXSA-N 2 0 239.363 0.634 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC000646993154 385119530 /nfs/dbraw/zinc/11/95/30/385119530.db2.gz JPNBZOYPWGBOKU-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP CC1([NH3+])CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000646993174 385121015 /nfs/dbraw/zinc/12/10/15/385121015.db2.gz KXZXFLXNCWZRHW-JTQLQIEISA-N 2 0 225.336 0.454 20 0 BCADRP COC[C@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000305144985 385121306 /nfs/dbraw/zinc/12/13/06/385121306.db2.gz RMCUGTASXCCYGS-CYBMUJFWSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@@]1(C(=O)N[C@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000646988581 385121382 /nfs/dbraw/zinc/12/13/82/385121382.db2.gz UTLULPNLJQYPHE-CMPLNLGQSA-N 2 0 225.336 0.244 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(C)([NH3+])CC1 ZINC000646993893 385123240 /nfs/dbraw/zinc/12/32/40/385123240.db2.gz NCRJJXAGPZJVKX-ZJUUUORDSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)C1C[NH2+]C1 ZINC000164625107 385125228 /nfs/dbraw/zinc/12/52/28/385125228.db2.gz NCWAWMUEDQAAQF-CMPLNLGQSA-N 2 0 239.363 0.395 20 0 BCADRP [NH3+]C[C@H](C(=O)N1CCC[NH2+]CC1)c1ccccc1 ZINC000061611356 385125291 /nfs/dbraw/zinc/12/52/91/385125291.db2.gz QCYAKTFJGJMACG-ZDUSSCGKSA-N 2 0 247.342 0.551 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC(C)([NH3+])CC1 ZINC000646991703 385125463 /nfs/dbraw/zinc/12/54/63/385125463.db2.gz KPNRNMCDCSLYKO-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC000646991445 385125492 /nfs/dbraw/zinc/12/54/92/385125492.db2.gz AIIMCUOLNHNLKB-UWVGGRQHSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC(C)([NH3+])CC1 ZINC000646991832 385125605 /nfs/dbraw/zinc/12/56/05/385125605.db2.gz PLKQITUWQVGASY-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000646998029 385129054 /nfs/dbraw/zinc/12/90/54/385129054.db2.gz DHKZVYNBNZOBGI-NXEZZACHSA-N 2 0 225.336 0.644 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000646998208 385132442 /nfs/dbraw/zinc/13/24/42/385132442.db2.gz WJYVFSMUPPPGPN-XZUYRWCXSA-N 2 0 237.347 0.372 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000647015978 385142509 /nfs/dbraw/zinc/14/25/09/385142509.db2.gz ISTFQGUNSMAYSV-LPEHRKFASA-N 2 0 225.336 0.241 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@]2(C)CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000647014943 385139918 /nfs/dbraw/zinc/13/99/18/385139918.db2.gz DECBJGLALCWERW-NQBHXWOUSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000644669055 385086433 /nfs/dbraw/zinc/08/64/33/385086433.db2.gz GBURKBASCGYWBD-MNOVXSKESA-N 2 0 200.326 0.689 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000646961033 385088163 /nfs/dbraw/zinc/08/81/63/385088163.db2.gz PUANHMLVGLYCMX-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@@H](O)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000644677978 385088672 /nfs/dbraw/zinc/08/86/72/385088672.db2.gz XFKSJUFJZOBKKG-CYBMUJFWSA-N 2 0 243.395 0.373 20 0 BCADRP CC(C)([NH3+])CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000646966013 385090291 /nfs/dbraw/zinc/09/02/91/385090291.db2.gz WGCUABHEZLSWKT-LBPRGKRZSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@]1(CNC(=O)C[C@@H]2CC[NH2+]C2)CCC[NH2+]C1 ZINC000646965948 385090358 /nfs/dbraw/zinc/09/03/58/385090358.db2.gz GUUADSHNHPXZOL-WCQYABFASA-N 2 0 239.363 0.492 20 0 BCADRP C[C@@]1(CNC(=O)CCCC[NH3+])CCC[NH2+]C1 ZINC000646965934 385090993 /nfs/dbraw/zinc/09/09/93/385090993.db2.gz DGVZTXLXPTTXKE-GFCCVEGCSA-N 2 0 227.352 0.621 20 0 BCADRP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000310506201 385098465 /nfs/dbraw/zinc/09/84/65/385098465.db2.gz JDYTXTDNZPHRSB-JHJVBQTASA-N 2 0 242.363 0.599 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)CC[C@H]1[NH3+] ZINC000647005502 385140774 /nfs/dbraw/zinc/14/07/74/385140774.db2.gz AXSDTHJKXVMPIU-JLLWLGSASA-N 2 0 239.363 0.700 20 0 BCADRP CC[C@@H]1CN(C(=O)CC2([NH3+])CCC2)CC[C@H]1[NH3+] ZINC000647015493 385140928 /nfs/dbraw/zinc/14/09/28/385140928.db2.gz SOOXHBPQVLSNDT-GHMZBOCLSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000564956303 385183757 /nfs/dbraw/zinc/18/37/57/385183757.db2.gz LSZHMJWESSINIB-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000647051237 385188147 /nfs/dbraw/zinc/18/81/47/385188147.db2.gz BPFWAFWNROVCMZ-MXWKQRLJSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647056249 385196959 /nfs/dbraw/zinc/19/69/59/385196959.db2.gz XWGDDLFKXOUSCG-MNOVXSKESA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH3+])o2)CC[NH2+]1 ZINC000647018087 385143288 /nfs/dbraw/zinc/14/32/88/385143288.db2.gz CMPIJFGOJKSMHI-BDAKNGLRSA-N 2 0 237.303 0.609 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000246281505 385143455 /nfs/dbraw/zinc/14/34/55/385143455.db2.gz MOTWDKQCMNHVOT-TUAOUCFPSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH3+])o2)CC[NH2+]1 ZINC000647018090 385143535 /nfs/dbraw/zinc/14/35/35/385143535.db2.gz CMPIJFGOJKSMHI-RKDXNWHRSA-N 2 0 237.303 0.609 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)CC[NH2+]1 ZINC000647018319 385143602 /nfs/dbraw/zinc/14/36/02/385143602.db2.gz BLQHRCMNLKQZRZ-IEBDPFPHSA-N 2 0 225.336 0.371 20 0 BCADRP CC[C@@H]1CN(C(=O)C(C)(C)C[NH3+])CC[C@@H]1[NH3+] ZINC000647014797 385147060 /nfs/dbraw/zinc/14/70/60/385147060.db2.gz CGKBNNRKENCEMS-ZJUUUORDSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000647021360 385151696 /nfs/dbraw/zinc/15/16/96/385151696.db2.gz LKRREZLJYLEGNY-SKDRFNHKSA-N 2 0 233.315 0.337 20 0 BCADRP C[C@H]([NH3+])CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000647021805 385153267 /nfs/dbraw/zinc/15/32/67/385153267.db2.gz FJRGCZIKSNRKKI-JTQLQIEISA-N 2 0 235.331 0.825 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000647022842 385155886 /nfs/dbraw/zinc/15/58/86/385155886.db2.gz HXVAJJKTSYGZFU-LDYMZIIASA-N 2 0 239.294 0.331 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000647026408 385159620 /nfs/dbraw/zinc/15/96/20/385159620.db2.gz OLFZQVABGADEIW-LLVKDONJSA-N 2 0 239.363 0.845 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000647026442 385160056 /nfs/dbraw/zinc/16/00/56/385160056.db2.gz WEYDSKWBQNQYFT-WDEREUQCSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000647030297 385163768 /nfs/dbraw/zinc/16/37/68/385163768.db2.gz MXARHJKXXFKQSY-ZYHUDNBSSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H](C[NH3+])C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000367495880 385164773 /nfs/dbraw/zinc/16/47/73/385164773.db2.gz AOUJFQMTKKZYLM-VIFPVBQESA-N 2 0 233.315 0.866 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000427795863 385173069 /nfs/dbraw/zinc/17/30/69/385173069.db2.gz GGIXPCKJOVCBJT-TXEJJXNPSA-N 2 0 239.363 0.348 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CC1([NH3+])CCC1 ZINC000647035993 385173400 /nfs/dbraw/zinc/17/34/00/385173400.db2.gz MNFSTVNFVWTZOP-UWVGGRQHSA-N 2 0 243.326 0.416 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN([C@@H]2CCNC2=O)C1 ZINC000178207494 385207179 /nfs/dbraw/zinc/20/71/79/385207179.db2.gz NGPVKEWVERQSJD-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000647064715 385210553 /nfs/dbraw/zinc/21/05/53/385210553.db2.gz SADWUYVREZMLRB-ONGXEEELSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)CC1([NH3+])CCC1 ZINC000647064612 385210783 /nfs/dbraw/zinc/21/07/83/385210783.db2.gz IBVAXOBPTVBMRH-VIFPVBQESA-N 2 0 213.325 0.502 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(C[NH3+])o1 ZINC000647068712 385216490 /nfs/dbraw/zinc/21/64/90/385216490.db2.gz LFPWGFMEXQHKKH-BQBZGAKWSA-N 2 0 211.265 0.204 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000647072051 385217575 /nfs/dbraw/zinc/21/75/75/385217575.db2.gz YTQYEQHRIXOYBW-RQJHMYQMSA-N 2 0 235.278 0.083 20 0 BCADRP CC[N@H+](CCCO)C[C@]1(C)CC[NH2+]C1 ZINC000308856307 385218535 /nfs/dbraw/zinc/21/85/35/385218535.db2.gz PDWHBOIJAZJQFJ-LLVKDONJSA-N 2 0 200.326 0.690 20 0 BCADRP CCOCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252717077 385228059 /nfs/dbraw/zinc/22/80/59/385228059.db2.gz ZSFLLMWVKGXAGJ-GHMZBOCLSA-N 2 0 200.326 0.953 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)CCC1CC[NH2+]CC1 ZINC000564958388 385235774 /nfs/dbraw/zinc/23/57/74/385235774.db2.gz KXIGZZFCBPIVBF-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000157641243 385236985 /nfs/dbraw/zinc/23/69/85/385236985.db2.gz DOHIBUUHHBWMCR-UTUOFQBUSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000647081203 385241312 /nfs/dbraw/zinc/24/13/12/385241312.db2.gz QLAWBGDRKRERGQ-SECBINFHSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000364197753 385243041 /nfs/dbraw/zinc/24/30/41/385243041.db2.gz WGYNSLZUNFDUPW-WHOHXGKFSA-N 2 0 237.347 0.467 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000647082837 385243221 /nfs/dbraw/zinc/24/32/21/385243221.db2.gz NMYIYQBXFPMBFJ-UWVGGRQHSA-N 2 0 213.325 0.230 20 0 BCADRP [NH3+][C@H]1CCC[C@@]12CCN(C(=O)C1([NH3+])CC1)C2 ZINC000364195099 385244038 /nfs/dbraw/zinc/24/40/38/385244038.db2.gz BIUUHCMMDWLDLI-ONGXEEELSA-N 2 0 223.320 0.208 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000045108028 385245858 /nfs/dbraw/zinc/24/58/58/385245858.db2.gz RYAYFKUXFLWRLW-ZJUUUORDSA-N 2 0 215.341 0.284 20 0 BCADRP C[C@@H]1CCN(C(=O)C[C@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000647086895 385251427 /nfs/dbraw/zinc/25/14/27/385251427.db2.gz SHNBZNYKLYMITM-UTUOFQBUSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000336374612 385202703 /nfs/dbraw/zinc/20/27/03/385202703.db2.gz NIMYPXUFOUAIDI-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058235 385204913 /nfs/dbraw/zinc/20/49/13/385204913.db2.gz XAVWVKFAMPRRFQ-UTLUCORTSA-N 2 0 231.315 0.191 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000364261309 385302409 /nfs/dbraw/zinc/30/24/09/385302409.db2.gz VYLQWTQAKJVVMF-LLVKDONJSA-N 2 0 231.315 0.146 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH3+])C1)[NH+](C)C ZINC000157925918 385313387 /nfs/dbraw/zinc/31/33/87/385313387.db2.gz NBTGIKMMBQHYPW-WDEREUQCSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000308965154 385317113 /nfs/dbraw/zinc/31/71/13/385317113.db2.gz UYKFYRWOCVEBEN-KXNHARMFSA-N 2 0 212.337 0.830 20 0 BCADRP [NH3+]C1(Cc2nc(C3([NH3+])CCC3)no2)CCC1 ZINC000647140479 385261825 /nfs/dbraw/zinc/26/18/25/385261825.db2.gz VCINSLKFRKVXDL-UHFFFAOYSA-N 2 0 222.292 0.831 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000647095552 385266972 /nfs/dbraw/zinc/26/69/72/385266972.db2.gz ZOMHECMPAKOQLA-JTQLQIEISA-N 2 0 237.347 0.339 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N1CCC2(CC[NH2+]2)CC1 ZINC000647095549 385267737 /nfs/dbraw/zinc/26/77/37/385267737.db2.gz YSIMHIKXUJEWRI-LLVKDONJSA-N 2 0 237.347 0.483 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237046586 385274867 /nfs/dbraw/zinc/27/48/67/385274867.db2.gz FOTSMPRDSNGABZ-WOPDTQHZSA-N 2 0 239.363 0.727 20 0 BCADRP CCCN(C(=O)C[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000189905877 385323825 /nfs/dbraw/zinc/32/38/25/385323825.db2.gz QNWHSOIBGDYYSO-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000164989986 385333438 /nfs/dbraw/zinc/33/34/38/385333438.db2.gz HRFNAELRMPNEAW-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP c1nc(C[NH2+]CCCC[NH+]2CCOCC2)co1 ZINC000192287090 385349197 /nfs/dbraw/zinc/34/91/97/385349197.db2.gz ZCWGDEMWHBLNIU-UHFFFAOYSA-N 2 0 239.319 0.877 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[NH+]1CCCC1 ZINC000165115325 385351464 /nfs/dbraw/zinc/35/14/64/385351464.db2.gz QHTKOHBVHIBYCU-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]1C[N@H+](CCc2ccnn2C)CC[C@H]1[NH3+] ZINC000299962230 385358493 /nfs/dbraw/zinc/35/84/93/385358493.db2.gz SVZJUDGDKRFLAY-CMPLNLGQSA-N 2 0 222.336 0.632 20 0 BCADRP C[C@@H]1C[C@@H](CN(C)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000647494981 385361392 /nfs/dbraw/zinc/36/13/92/385361392.db2.gz BGSXDCKIPCIAAZ-WOPDTQHZSA-N 2 0 211.353 0.668 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000131827177 385361744 /nfs/dbraw/zinc/36/17/44/385361744.db2.gz SRYYSXFVJOQQTI-OLZOCXBDSA-N 2 0 247.342 0.802 20 0 BCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000178404060 385367147 /nfs/dbraw/zinc/36/71/47/385367147.db2.gz QTGJJULPJBMTDG-OLZOCXBDSA-N 2 0 247.342 0.425 20 0 BCADRP CC[NH+](CC)CCN[C@@H]1C[N@H+](C)C[C@H]1C ZINC000309040631 385377494 /nfs/dbraw/zinc/37/74/94/385377494.db2.gz KZYKSHFBPYXIFQ-VXGBXAGGSA-N 2 0 213.369 0.868 20 0 BCADRP CO[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000400151185 385327317 /nfs/dbraw/zinc/32/73/17/385327317.db2.gz QKQGKGQFUKMCMH-TUAOUCFPSA-N 2 0 210.321 0.563 20 0 BCADRP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CN(C)CCN1C ZINC000309094714 385405492 /nfs/dbraw/zinc/40/54/92/385405492.db2.gz CJVAPZAFPAZHGM-WOPDTQHZSA-N 2 0 211.353 0.478 20 0 BCADRP CN(C[C@@H](O)C[N@H+](C)C1CC1)C[C@@H]1CCCO1 ZINC000336710894 385409101 /nfs/dbraw/zinc/40/91/01/385409101.db2.gz NEFYMJSSROXION-OLZOCXBDSA-N 2 0 242.363 0.552 20 0 BCADRP Cn1nnc2cc(C[N@H+](C)CCC[NH3+])ccc21 ZINC000647497605 385410295 /nfs/dbraw/zinc/41/02/95/385410295.db2.gz NRLOIEHQBWGLTB-UHFFFAOYSA-N 2 0 233.319 0.749 20 0 BCADRP COCCCCCN(CC[NH3+])CCO ZINC000309093398 385413786 /nfs/dbraw/zinc/41/37/86/385413786.db2.gz BYDXBGLSHBJLKE-UHFFFAOYSA-N 2 0 204.314 0.056 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644066882 385415148 /nfs/dbraw/zinc/41/51/48/385415148.db2.gz UQVLBDMDMULITL-QMMMGPOBSA-N 2 0 235.278 0.038 20 0 BCADRP [NH3+]C[C@@H](C(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000178731470 385415916 /nfs/dbraw/zinc/41/59/16/385415916.db2.gz RMVYQNCYFXKAEM-CHWSQXEVSA-N 2 0 247.342 0.597 20 0 BCADRP CC(C)[C@H](C(=O)N(C)CCC[NH3+])[C@@H](C)[NH3+] ZINC000644067295 385416485 /nfs/dbraw/zinc/41/64/85/385416485.db2.gz NTHGOSWWYUGQFZ-ZJUUUORDSA-N 2 0 215.341 0.413 20 0 BCADRP C[C@@H]1c2nncn2CCN1CCCn1ccnc1 ZINC000362072452 385420077 /nfs/dbraw/zinc/42/00/77/385420077.db2.gz NIFZXTJYMAIKGE-LLVKDONJSA-N 2 0 246.318 0.942 20 0 BCADRP C[C@@H](C[NH3+])C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000644086581 385438452 /nfs/dbraw/zinc/43/84/52/385438452.db2.gz BMNBMVMOZSEQBT-VIFPVBQESA-N 2 0 233.315 0.866 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644088869 385439733 /nfs/dbraw/zinc/43/97/33/385439733.db2.gz BQMKFIBRADEMEX-ZJUUUORDSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)O)CC[N@@H+]1C ZINC000156296699 385444247 /nfs/dbraw/zinc/44/42/47/385444247.db2.gz JVTARRACACTBAJ-UWVGGRQHSA-N 2 0 200.326 0.830 20 0 BCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000170786958 385445707 /nfs/dbraw/zinc/44/57/07/385445707.db2.gz UNLCLHFFUMZYRM-STQMWFEESA-N 2 0 247.342 0.506 20 0 BCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000170786969 385445789 /nfs/dbraw/zinc/44/57/89/385445789.db2.gz UNLCLHFFUMZYRM-QWHCGFSZSA-N 2 0 247.342 0.506 20 0 BCADRP [NH3+]CCCN1CCC([NH2+]CC2CC2)CC1 ZINC000647499926 385437945 /nfs/dbraw/zinc/43/79/45/385437945.db2.gz QQRHLBRVWUVTJT-UHFFFAOYSA-N 2 0 211.353 0.799 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000364475380 385466368 /nfs/dbraw/zinc/46/63/68/385466368.db2.gz BJQUGHIMBBHOHF-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP CC1(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)C[NH2+]C1 ZINC000644103319 385472403 /nfs/dbraw/zinc/47/24/03/385472403.db2.gz WEVPNEADXDSHHZ-UHFFFAOYSA-N 2 0 246.314 0.275 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000364498521 385472568 /nfs/dbraw/zinc/47/25/68/385472568.db2.gz XHJODOOQSGZXNI-WDEREUQCSA-N 2 0 225.336 0.326 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000644099503 385472644 /nfs/dbraw/zinc/47/26/44/385472644.db2.gz JTEBNOIRPPANNA-QWRGUYRKSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364564426 385476155 /nfs/dbraw/zinc/47/61/55/385476155.db2.gz XCVPWJNIAFNZHT-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364564725 385476463 /nfs/dbraw/zinc/47/64/63/385476463.db2.gz UYTCHALSSGCADP-ZWNOBZJWSA-N 2 0 239.363 0.429 20 0 BCADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NCC1C[NH2+]C1 ZINC000644104954 385479001 /nfs/dbraw/zinc/47/90/01/385479001.db2.gz LETKWSTXLGZXIT-LBPRGKRZSA-N 2 0 239.363 0.620 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000644107146 385483515 /nfs/dbraw/zinc/48/35/15/385483515.db2.gz WCYITZWFLSWYQQ-SNVBAGLBSA-N 2 0 239.363 0.490 20 0 BCADRP c1nc(CN2CC[NH+](CC3CC3)CC2)c[nH]1 ZINC000179688875 385484455 /nfs/dbraw/zinc/48/44/55/385484455.db2.gz JCTUGPABVODBNM-UHFFFAOYSA-N 2 0 220.320 0.937 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000364470337 385461481 /nfs/dbraw/zinc/46/14/81/385461481.db2.gz WNKYUMSASUGYQE-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@]([NH3+])(C(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000195232042 385463369 /nfs/dbraw/zinc/46/33/69/385463369.db2.gz BLZSTSREVKXGHM-JSGCOSHPSA-N 2 0 247.342 0.729 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000257736220 385490627 /nfs/dbraw/zinc/49/06/27/385490627.db2.gz VZLWIEPEMPPYMQ-LBPRGKRZSA-N 2 0 239.363 0.668 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000257685954 385493281 /nfs/dbraw/zinc/49/32/81/385493281.db2.gz KIUXLTNZJTVBRB-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644115468 385494168 /nfs/dbraw/zinc/49/41/68/385494168.db2.gz WKUGXGZOWYKBQF-UTLUCORTSA-N 2 0 225.336 0.099 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000644115466 385494474 /nfs/dbraw/zinc/49/44/74/385494474.db2.gz WKUGXGZOWYKBQF-KXUCPTDWSA-N 2 0 225.336 0.099 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000110653822 385495579 /nfs/dbraw/zinc/49/55/79/385495579.db2.gz UZJAUGSRDOBBAF-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000257753626 385496681 /nfs/dbraw/zinc/49/66/81/385496681.db2.gz ZJJNCMUDZBDKDS-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP Cn1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000257755776 385498097 /nfs/dbraw/zinc/49/80/97/385498097.db2.gz WGHHMMVDHIXNAN-CQSZACIVSA-N 2 0 248.374 0.505 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000309295316 385517684 /nfs/dbraw/zinc/51/76/84/385517684.db2.gz RJKYPRONBXYJJT-UWVGGRQHSA-N 2 0 213.325 0.228 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NC1(C)CC[NH2+]CC1 ZINC000644122660 385501756 /nfs/dbraw/zinc/50/17/56/385501756.db2.gz VADDHFRLVZAWSW-SECBINFHSA-N 2 0 225.336 0.243 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000309256588 385501753 /nfs/dbraw/zinc/50/17/53/385501753.db2.gz GOBMYBGPYNMONB-VIFPVBQESA-N 2 0 213.325 0.372 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C[C@H](C)[NH3+] ZINC000309261261 385502350 /nfs/dbraw/zinc/50/23/50/385502350.db2.gz IDQRIYBEFWBENY-VHSXEESVSA-N 2 0 215.341 0.556 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000309259294 385504075 /nfs/dbraw/zinc/50/40/75/385504075.db2.gz CYRANKPDDBFXBP-QMMMGPOBSA-N 2 0 237.294 0.425 20 0 BCADRP COCC[C@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000302339166 385515700 /nfs/dbraw/zinc/51/57/00/385515700.db2.gz UPTGYLUTVYQTHG-CYBMUJFWSA-N 2 0 244.379 0.846 20 0 BCADRP C[NH+]1C[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000644811861 385516499 /nfs/dbraw/zinc/51/64/99/385516499.db2.gz BHJGNUJXBTYKEZ-GRYCIOLGSA-N 2 0 237.347 0.101 20 0 BCADRP C[NH+]1C[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC000644811873 385517334 /nfs/dbraw/zinc/51/73/34/385517334.db2.gz BHJGNUJXBTYKEZ-WOPDTQHZSA-N 2 0 237.347 0.101 20 0 BCADRP C[C@@]1(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC000644144901 385536706 /nfs/dbraw/zinc/53/67/06/385536706.db2.gz QRPHVIHUMVDATH-ZYHUDNBSSA-N 2 0 237.347 0.244 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000647669508 385537821 /nfs/dbraw/zinc/53/78/21/385537821.db2.gz VHPGZAFDBAYMAK-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000647669581 385537922 /nfs/dbraw/zinc/53/79/22/385537922.db2.gz XVYJSMMHGKPYAF-SECBINFHSA-N 2 0 249.305 0.347 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000647669582 385538039 /nfs/dbraw/zinc/53/80/39/385538039.db2.gz XVYJSMMHGKPYAF-VIFPVBQESA-N 2 0 249.305 0.347 20 0 BCADRP COC[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000309351862 385543703 /nfs/dbraw/zinc/54/37/03/385543703.db2.gz NGVCLGCUWNVVQE-VXGBXAGGSA-N 2 0 228.336 0.021 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000309351857 385544176 /nfs/dbraw/zinc/54/41/76/385544176.db2.gz NGVCLGCUWNVVQE-NWDGAFQWSA-N 2 0 228.336 0.021 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000644149205 385546102 /nfs/dbraw/zinc/54/61/02/385546102.db2.gz KMIKGAXCBLXZEF-HBNTYKKESA-N 2 0 237.347 0.195 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1CCN1CCOCC1 ZINC000107092101 385555234 /nfs/dbraw/zinc/55/52/34/385555234.db2.gz HKOHACFNIBNFKX-CYBMUJFWSA-N 2 0 241.379 0.393 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1Cc1nccn1C ZINC000107092042 385555466 /nfs/dbraw/zinc/55/54/66/385555466.db2.gz FWMWGDQHPRZSTQ-NSHDSACASA-N 2 0 222.336 0.994 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1CCN1CCOCC1 ZINC000107092103 385555597 /nfs/dbraw/zinc/55/55/97/385555597.db2.gz HKOHACFNIBNFKX-ZDUSSCGKSA-N 2 0 241.379 0.393 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000364990977 385557390 /nfs/dbraw/zinc/55/73/90/385557390.db2.gz XIVRUYOSRKRUJG-SRVKXCTJSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063178678 385606287 /nfs/dbraw/zinc/60/62/87/385606287.db2.gz XOMWUMYBTBASFB-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000366558944 385596418 /nfs/dbraw/zinc/59/64/18/385596418.db2.gz XENVSZSOYFZVBM-RCWTZXSCSA-N 2 0 243.326 0.320 20 0 BCADRP CC(C)(O)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000647909004 385603985 /nfs/dbraw/zinc/60/39/85/385603985.db2.gz FPRIWJZXRFAFDO-UHFFFAOYSA-N 2 0 244.379 0.582 20 0 BCADRP CN(C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000309495167 385615455 /nfs/dbraw/zinc/61/54/55/385615455.db2.gz YZCHDTQHCRAAOU-VXGBXAGGSA-N 2 0 228.336 0.162 20 0 BCADRP C(C[N@@H+]1CCC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000108326170 385625565 /nfs/dbraw/zinc/62/55/65/385625565.db2.gz QNMYITYWEYORRO-UHFFFAOYSA-N 3 0 211.353 0.671 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082654320 385629122 /nfs/dbraw/zinc/62/91/22/385629122.db2.gz PYCBMKICMRWVHG-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP CC[N@H+](C)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054293015 385612285 /nfs/dbraw/zinc/61/22/85/385612285.db2.gz MBMVZPRGMOBATL-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645220906 385686957 /nfs/dbraw/zinc/68/69/57/385686957.db2.gz ARWDAKSXNPPFSU-LLVKDONJSA-N 2 0 248.330 0.325 20 0 BCADRP Cc1cnc(CN[C@@H](C)C[NH+](C)C)n1C ZINC000336735514 385700147 /nfs/dbraw/zinc/70/01/47/385700147.db2.gz OIXXWQYDWWBOKQ-VIFPVBQESA-N 2 0 210.325 0.768 20 0 BCADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)NCCF ZINC000337563411 385709940 /nfs/dbraw/zinc/70/99/40/385709940.db2.gz WWAUTRGSGFCNCI-OUAUKWLOSA-N 2 0 245.342 0.533 20 0 BCADRP CC[N@@H+]1CC[C@@H](NCCC[NH2+]C)[C@H](C)C1 ZINC000414859816 385739263 /nfs/dbraw/zinc/73/92/63/385739263.db2.gz NXGOWGFHKOAHSV-VXGBXAGGSA-N 2 0 213.369 0.916 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061645165 385742247 /nfs/dbraw/zinc/74/22/47/385742247.db2.gz KWQDRHCPSQJVEI-NXEZZACHSA-N 2 0 213.325 0.276 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061645206 385742459 /nfs/dbraw/zinc/74/24/59/385742459.db2.gz XEQMVDPINSLPSQ-UWVGGRQHSA-N 2 0 213.325 0.147 20 0 BCADRP [NH3+]CCOc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000183237545 385743804 /nfs/dbraw/zinc/74/38/04/385743804.db2.gz UKZSVJXAUPRQAD-LBPRGKRZSA-N 2 0 249.314 0.715 20 0 BCADRP CC(=O)N1CCC([NH2+]C[C@H](C)C[NH+](C)C)CC1 ZINC000336703260 385773244 /nfs/dbraw/zinc/77/32/44/385773244.db2.gz KKJJTUMZHYLZKN-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336703442 385776294 /nfs/dbraw/zinc/77/62/94/385776294.db2.gz KOKBWZQZVNYIMO-CHWSQXEVSA-N 2 0 242.363 0.411 20 0 BCADRP CN(CC1CC[NH+](C)CC1)C(=O)CC[NH3+] ZINC000063121272 385778827 /nfs/dbraw/zinc/77/88/27/385778827.db2.gz ZJCDXFZBXPJPJE-UHFFFAOYSA-N 2 0 213.325 0.135 20 0 BCADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1C[NH2+]C1 ZINC000647799300 385799511 /nfs/dbraw/zinc/79/95/11/385799511.db2.gz CYGOZOHEAYZHMG-QJPTWQEYSA-N 2 0 209.337 0.184 20 0 BCADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC[NH2+]CC1 ZINC000647799388 385800629 /nfs/dbraw/zinc/80/06/29/385800629.db2.gz DUCNDHMTTLSWSC-BFHYXJOUSA-N 3 0 237.391 0.964 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000645287960 385806126 /nfs/dbraw/zinc/80/61/26/385806126.db2.gz DPXJCNDKGBKVPC-NSHDSACASA-N 2 0 239.363 0.585 20 0 BCADRP C[C@](C[NH3+])(NC(=O)C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647807097 385857702 /nfs/dbraw/zinc/85/77/02/385857702.db2.gz CQGUFLVEBTTZKY-BXKDBHETSA-N 2 0 225.336 0.230 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000261615310 385824710 /nfs/dbraw/zinc/82/47/10/385824710.db2.gz AQBNACFAHFWVOL-PWSUYJOCSA-N 2 0 235.331 0.801 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000521432808 385827131 /nfs/dbraw/zinc/82/71/31/385827131.db2.gz HTQTXGCNGLYVGC-JBDRJPRFSA-N 2 0 216.329 0.147 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000261730183 385829571 /nfs/dbraw/zinc/82/95/71/385829571.db2.gz LNTSLGZBYYIKQS-PWSUYJOCSA-N 2 0 235.331 0.719 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000261806671 385829886 /nfs/dbraw/zinc/82/98/86/385829886.db2.gz SICXLMUCBNKQKX-MFKMUULPSA-N 2 0 247.342 0.425 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000647802876 385836251 /nfs/dbraw/zinc/83/62/51/385836251.db2.gz WOGOYARWVLXPCT-KIDURHIOSA-N 2 0 228.336 0.507 20 0 BCADRP CO[C@H](C[NH3+])CC(=O)Nc1ccncc1C ZINC000232120582 385837798 /nfs/dbraw/zinc/83/77/98/385837798.db2.gz ZLRSLAHCYNMWLE-VIFPVBQESA-N 2 0 223.276 0.692 20 0 BCADRP CC[NH2+][C@H](C)CNCc1ccc(C(=O)OC)[nH]1 ZINC000414955168 385840831 /nfs/dbraw/zinc/84/08/31/385840831.db2.gz LPSNQQBNRGQPDK-SECBINFHSA-N 2 0 239.319 0.889 20 0 BCADRP C[C@H]([NH3+])C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000262427159 385845884 /nfs/dbraw/zinc/84/58/84/385845884.db2.gz CYNFIJBYKUHRKG-NSHDSACASA-N 2 0 235.331 0.711 20 0 BCADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C[NH3+])cc1 ZINC000262438404 385846112 /nfs/dbraw/zinc/84/61/12/385846112.db2.gz MPEWHDCKHQDTSE-GFCCVEGCSA-N 2 0 235.331 0.885 20 0 BCADRP C[N@H+](CCCn1ccnc1)CC(=O)N1CCC1 ZINC000271692143 385846219 /nfs/dbraw/zinc/84/62/19/385846219.db2.gz LYGDYDHFOIKPQY-UHFFFAOYSA-N 2 0 236.319 0.437 20 0 BCADRP C[NH+](C)CC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000336558666 385846887 /nfs/dbraw/zinc/84/68/87/385846887.db2.gz YEKBOTYYFHEFCG-NSHDSACASA-N 2 0 225.336 0.149 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000262454291 385847079 /nfs/dbraw/zinc/84/70/79/385847079.db2.gz SQYCUHKUQQVNAM-RYUDHWBXSA-N 2 0 235.331 0.786 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647806882 385849050 /nfs/dbraw/zinc/84/90/50/385849050.db2.gz JQGUWOLPOBNKKO-MYJAWHEDSA-N 2 0 225.336 0.086 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)CC1([NH3+])CCC1)C1CC1 ZINC000647806994 385854106 /nfs/dbraw/zinc/85/41/06/385854106.db2.gz BEZJAIKVDMRIRY-NSHDSACASA-N 2 0 225.336 0.502 20 0 BCADRP C[C@@H](C(=O)N[C@@H](C)C[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000262518518 385854537 /nfs/dbraw/zinc/85/45/37/385854537.db2.gz HMWADAHRFQJFED-HOSYDEDBSA-N 2 0 235.331 0.786 20 0 BCADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCNC2)CC[NH2+]1 ZINC000414867020 385794052 /nfs/dbraw/zinc/79/40/52/385794052.db2.gz NUGOSWHTALOCLQ-GRYCIOLGSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccn(C)c(=O)c2)CC1 ZINC000647832476 385884118 /nfs/dbraw/zinc/88/41/18/385884118.db2.gz NSBNGSFKTRCEKS-NSHDSACASA-N 2 0 249.358 0.945 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647845758 385884885 /nfs/dbraw/zinc/88/48/85/385884885.db2.gz JGCSOUKGNXKYDB-MNOVXSKESA-N 2 0 239.363 0.857 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2C)C1 ZINC000294704659 385885096 /nfs/dbraw/zinc/88/50/96/385885096.db2.gz GXOFSHZCQGQZLR-WCQYABFASA-N 2 0 247.342 0.815 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647845304 385885662 /nfs/dbraw/zinc/88/56/62/385885662.db2.gz USNMXVBPQDOXNY-WCQYABFASA-N 2 0 249.358 0.945 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000647841279 385890158 /nfs/dbraw/zinc/89/01/58/385890158.db2.gz FXGYGKRZSCBZKE-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000262827706 385891539 /nfs/dbraw/zinc/89/15/39/385891539.db2.gz UJJTXRYHJQRMBA-WDEREUQCSA-N 2 0 247.342 0.968 20 0 BCADRP CN(CCC[NH3+])CC(=O)NCCC(C)(C)C ZINC000647848456 385899516 /nfs/dbraw/zinc/89/95/16/385899516.db2.gz SBBDEVQUCPISOJ-UHFFFAOYSA-N 2 0 229.368 0.819 20 0 BCADRP CC1(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)C[NH2+]C1 ZINC000335037928 385929509 /nfs/dbraw/zinc/92/95/09/385929509.db2.gz KJEQGHJKNNOACZ-VHSXEESVSA-N 2 0 225.336 0.230 20 0 BCADRP Cn1cc(CC[NH2+]CC2([NH3+])CCC2)cn1 ZINC000342118884 385929698 /nfs/dbraw/zinc/92/96/98/385929698.db2.gz DPAOSOVAJYUTER-UHFFFAOYSA-N 2 0 208.309 0.434 20 0 BCADRP C[C@@H]([NH3+])CCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000262983818 385913792 /nfs/dbraw/zinc/91/37/92/385913792.db2.gz YZOOMZOPVFJFCK-MFKMUULPSA-N 2 0 235.331 0.714 20 0 BCADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc2c(c1)nnn2C ZINC000414876885 385915611 /nfs/dbraw/zinc/91/56/11/385915611.db2.gz FEJLQWMQAWASME-SECBINFHSA-N 2 0 233.319 0.795 20 0 BCADRP [NH3+]CCCOC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647859047 385916219 /nfs/dbraw/zinc/91/62/19/385916219.db2.gz IKRNFKKYBJAZSY-GFCCVEGCSA-N 3 0 241.379 0.426 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000338189864 385917386 /nfs/dbraw/zinc/91/73/86/385917386.db2.gz HMLSWCODBZDXEM-ZJUUUORDSA-N 2 0 215.341 0.393 20 0 BCADRP CO[C@H]1C[C@@H]([N@H+](C)CCn2ccnc2)C1 ZINC000285373005 385920507 /nfs/dbraw/zinc/92/05/07/385920507.db2.gz MOQTXGAGYWJCJW-PHIMTYICSA-N 2 0 209.293 0.992 20 0 BCADRP COC(=O)c1cc(C[NH2+]C[C@H](C)C[NH3+])c[nH]1 ZINC000414877346 385920737 /nfs/dbraw/zinc/92/07/37/385920737.db2.gz MPJYESKHXKZVMS-MRVPVSSYSA-N 2 0 225.292 0.486 20 0 BCADRP COC(=O)c1cc(C[NH2+]C[C@@H](C)C[NH3+])c[nH]1 ZINC000414877347 385920849 /nfs/dbraw/zinc/92/08/49/385920849.db2.gz MPJYESKHXKZVMS-QMMMGPOBSA-N 2 0 225.292 0.486 20 0 BCADRP CN(C(=O)CCC[NH3+])C1CC[NH+](C)CC1 ZINC000055368221 385924518 /nfs/dbraw/zinc/92/45/18/385924518.db2.gz BWKGCSHWZWCQGT-UHFFFAOYSA-N 2 0 213.325 0.278 20 0 BCADRP O=C([C@H]1CCCC[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000335036503 385926516 /nfs/dbraw/zinc/92/65/16/385926516.db2.gz GJTYRHCKTOUBOC-GFCCVEGCSA-N 2 0 237.347 0.435 20 0 BCADRP CC(C)([NH3+])c1noc(CN2CCC[C@H]([NH3+])C2)n1 ZINC000647812163 385863809 /nfs/dbraw/zinc/86/38/09/385863809.db2.gz CRCUMUJZBAZNMW-QMMMGPOBSA-N 2 0 239.323 0.187 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000262624049 385866238 /nfs/dbraw/zinc/86/62/38/385866238.db2.gz FQYWBIACFDYBNF-CHWSQXEVSA-N 2 0 247.342 0.945 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000262619232 385867144 /nfs/dbraw/zinc/86/71/44/385867144.db2.gz DPLJZESJWMSKKX-OLZOCXBDSA-N 2 0 247.342 0.863 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)[C@@H]1C[NH3+] ZINC000647819644 385870285 /nfs/dbraw/zinc/87/02/85/385870285.db2.gz RCRNLDJOPGTBOT-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC[N@@H+]1C ZINC000647817011 385870397 /nfs/dbraw/zinc/87/03/97/385870397.db2.gz YKRDRHOZAALQEW-DDHJBXDOSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)[C@H]1C[NH3+] ZINC000647819642 385870684 /nfs/dbraw/zinc/87/06/84/385870684.db2.gz RCRNLDJOPGTBOT-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CCC[NH2+]1 ZINC000647816985 385870843 /nfs/dbraw/zinc/87/08/43/385870843.db2.gz VGGMOHRXLOQWTE-DMDPSCGWSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H](Cn1cncn1)[NH2+]CCCC[NH+](C)C ZINC000340470449 385870895 /nfs/dbraw/zinc/87/08/95/385870895.db2.gz OKIAKOKQVKEURM-GFCCVEGCSA-N 2 0 239.367 0.988 20 0 BCADRP [NH3+]CCC(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638551293 385872526 /nfs/dbraw/zinc/87/25/26/385872526.db2.gz VSMGZZVKHDXRTH-UHFFFAOYSA-N 2 0 233.315 0.773 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000262669629 385872847 /nfs/dbraw/zinc/87/28/47/385872847.db2.gz RBFXCTDNZLFRRS-AAEUAGOBSA-N 2 0 247.342 0.815 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000647828483 385877014 /nfs/dbraw/zinc/87/70/14/385877014.db2.gz WJXUFCUCYALQHK-NQBHXWOUSA-N 2 0 241.379 0.816 20 0 BCADRP Cc1noc(CCC[N@@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000647829682 385878071 /nfs/dbraw/zinc/87/80/71/385878071.db2.gz LPXBIKXHUCMCLO-SNVBAGLBSA-N 2 0 224.308 0.591 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1cccc(N)c1 ZINC000647835795 385879781 /nfs/dbraw/zinc/87/97/81/385879781.db2.gz OQNKVIUXCFUEKN-UHFFFAOYSA-N 2 0 248.374 0.606 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C)C[NH3+] ZINC000417450344 385975432 /nfs/dbraw/zinc/97/54/32/385975432.db2.gz ZYNWIVABNMZGEH-WDEREUQCSA-N 2 0 244.383 0.611 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@H](C)C[NH2+]C ZINC000236842374 259678306 /nfs/dbraw/zinc/67/83/06/259678306.db2.gz PNMUPLNGOYOWBO-SNVBAGLBSA-N 2 0 215.341 0.300 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)c1ccc2c[nH+]cn2c1 ZINC000335019802 385977548 /nfs/dbraw/zinc/97/75/48/385977548.db2.gz UTWYSPCAKKFXTQ-NSHDSACASA-N 2 0 244.298 0.816 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000295171182 385983609 /nfs/dbraw/zinc/98/36/09/385983609.db2.gz UJCDGJIWHCHXAR-BXKDBHETSA-N 2 0 233.315 0.164 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000295173091 385985255 /nfs/dbraw/zinc/98/52/55/385985255.db2.gz LRKWRXDKUKAJSK-CHWSQXEVSA-N 2 0 249.358 0.828 20 0 BCADRP C[C@H](C[NH3+])CNCc1c(Cl)cnn1C ZINC000414881165 385987064 /nfs/dbraw/zinc/98/70/64/385987064.db2.gz SBHFNABRIRTOJW-SSDOTTSWSA-N 2 0 216.716 0.758 20 0 BCADRP Cn1ccc(C[NH2+][C@@](C)(C[NH3+])C2CC2)cc1=O ZINC000647867925 385987258 /nfs/dbraw/zinc/98/72/58/385987258.db2.gz GKORMMGLPKIWJC-ZDUSSCGKSA-N 2 0 235.331 0.602 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000295185311 385988008 /nfs/dbraw/zinc/98/80/08/385988008.db2.gz NHBBVGPMASSEFJ-LLVKDONJSA-N 2 0 235.331 0.410 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000295192982 385988140 /nfs/dbraw/zinc/98/81/40/385988140.db2.gz ODEYBXVHDSLFTD-ZWNOBZJWSA-N 2 0 247.342 0.943 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21)[NH+](C)C ZINC000639020085 385931774 /nfs/dbraw/zinc/93/17/74/385931774.db2.gz JPORKPRXZKXTNY-SDDRHHMPSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639019877 385931877 /nfs/dbraw/zinc/93/18/77/385931877.db2.gz CAWVOMIFBFMGIP-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000335038763 385931752 /nfs/dbraw/zinc/93/17/52/385931752.db2.gz ORESXGTUQHTWAA-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639019878 385931941 /nfs/dbraw/zinc/93/19/41/385931941.db2.gz CAWVOMIFBFMGIP-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639020120 385932539 /nfs/dbraw/zinc/93/25/39/385932539.db2.gz CKSZREKORUHGLG-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000294998662 385936506 /nfs/dbraw/zinc/93/65/06/385936506.db2.gz LDACZGPJVFBICZ-JQWIXIFHSA-N 2 0 235.331 0.719 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1cn[nH]c1 ZINC000309012985 385936850 /nfs/dbraw/zinc/93/68/50/385936850.db2.gz PTJIZVFODFHWHR-ONGXEEELSA-N 2 0 208.309 0.764 20 0 BCADRP C[C@H](CO)[NH+](C)CCC[N@@H+](C)[C@H](C)CO ZINC000342086828 385937654 /nfs/dbraw/zinc/93/76/54/385937654.db2.gz HVQCIFWIVHERCR-GHMZBOCLSA-N 2 0 218.341 0.002 20 0 BCADRP [NH3+][C@H](C(=O)N1CC[NH+]2CCC1CC2)C1CCC1 ZINC000335054350 385954807 /nfs/dbraw/zinc/95/48/07/385954807.db2.gz WTHBZGMYWXHZDW-LBPRGKRZSA-N 2 0 237.347 0.420 20 0 BCADRP CC[NH2+]CCNC(=O)NCC[N@H+](C)[C@H](C)CC ZINC000417446469 385955203 /nfs/dbraw/zinc/95/52/03/385955203.db2.gz LNNBUGBZQSAXMY-LLVKDONJSA-N 2 0 244.383 0.625 20 0 BCADRP C1CCC([N@@H+]2CC[C@H](N[C@@H]3CC[NH2+]C3)C2)C1 ZINC000335058158 385959069 /nfs/dbraw/zinc/95/90/69/385959069.db2.gz YPNSKDRDEDDUDI-NEPJUHHUSA-N 2 0 223.364 0.955 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251247866 385960753 /nfs/dbraw/zinc/96/07/53/385960753.db2.gz BKXQUSIPXXHKRM-WOPDTQHZSA-N 2 0 239.363 0.809 20 0 BCADRP CC[NH+](CC)CCC[NH2+]C1(CO)CCOCC1 ZINC000338314655 385965402 /nfs/dbraw/zinc/96/54/02/385965402.db2.gz MUIMJGFFRXMSRJ-UHFFFAOYSA-N 2 0 244.379 0.849 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000366887005 385966020 /nfs/dbraw/zinc/96/60/20/385966020.db2.gz ZFBCJEXKMLMCJQ-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000647865397 385994464 /nfs/dbraw/zinc/99/44/64/385994464.db2.gz IETFVQRKWSDKRB-SDDRHHMPSA-N 2 0 227.352 0.034 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000309246344 385997853 /nfs/dbraw/zinc/99/78/53/385997853.db2.gz NQBDKKNXNAOSKX-QWRGUYRKSA-N 2 0 225.336 0.276 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336721882 386000406 /nfs/dbraw/zinc/00/04/06/386000406.db2.gz SOLDCGTVXPAENW-VXNVDRBHSA-N 2 0 247.289 0.322 20 0 BCADRP C[NH2+]CCOCCNC(=O)[C@@H]([NH3+])CCC(C)C ZINC000638575082 386002281 /nfs/dbraw/zinc/00/22/81/386002281.db2.gz JUBSZSDLQMMADH-NSHDSACASA-N 2 0 245.367 0.102 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000295263892 386002310 /nfs/dbraw/zinc/00/23/10/386002310.db2.gz VCVAPQXICVNVJJ-KCJUWKMLSA-N 2 0 234.303 0.521 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC000338454820 386009611 /nfs/dbraw/zinc/00/96/11/386009611.db2.gz JCSCEABDYUQRJV-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH2+]CCNC(=O)NCC[N@H+](CC)C(C)C ZINC000417458810 386010060 /nfs/dbraw/zinc/01/00/60/386010060.db2.gz INIKYBIGHKURBC-UHFFFAOYSA-N 2 0 244.383 0.625 20 0 BCADRP CC[N@H+](CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+])C(C)C ZINC000417460643 386014753 /nfs/dbraw/zinc/01/47/53/386014753.db2.gz KDIMRYFGGRJQQK-MNOVXSKESA-N 2 0 244.383 0.752 20 0 BCADRP CC[N@H+](CCNC(=O)N[C@@H](C)[C@H](C)[NH3+])C(C)C ZINC000417460644 386015261 /nfs/dbraw/zinc/01/52/61/386015261.db2.gz KDIMRYFGGRJQQK-QWRGUYRKSA-N 2 0 244.383 0.752 20 0 BCADRP CC(C)([NH3+])CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000263321046 386020758 /nfs/dbraw/zinc/02/07/58/386020758.db2.gz IYLXSNFDLBGBRG-LLVKDONJSA-N 2 0 235.331 0.930 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000335061362 386026923 /nfs/dbraw/zinc/02/69/23/386026923.db2.gz NGDYZLQYNOTOKQ-MNOVXSKESA-N 2 0 233.315 0.640 20 0 BCADRP C[C@]1(CNC(=O)[C@H]([NH3+])C2CCC2)CCC[NH2+]C1 ZINC000331827184 386056904 /nfs/dbraw/zinc/05/69/04/386056904.db2.gz CURSKYZOOZMXSS-YPMHNXCESA-N 2 0 239.363 0.620 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000129027523 386044436 /nfs/dbraw/zinc/04/44/36/386044436.db2.gz VZDTXFMGPQDRBH-GFCCVEGCSA-N 2 0 227.352 0.587 20 0 BCADRP CC[C@@H](COC)[NH2+]CCNCCOC ZINC000414888379 386102798 /nfs/dbraw/zinc/10/27/98/386102798.db2.gz RMTVVWFJWVYSSH-JTQLQIEISA-N 2 0 204.314 0.237 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000054133681 386110203 /nfs/dbraw/zinc/11/02/03/386110203.db2.gz KRKLMZNOTKSVBV-LBPRGKRZSA-N 2 0 229.368 0.960 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000054342065 386120989 /nfs/dbraw/zinc/12/09/89/386120989.db2.gz XFJLBLFRNBUMGV-VXGBXAGGSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000054340064 386121084 /nfs/dbraw/zinc/12/10/84/386121084.db2.gz FKQVBFHBTKYWDD-UWVGGRQHSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCc1ccccc1C[NH+](C)C ZINC000054344716 386121362 /nfs/dbraw/zinc/12/13/62/386121362.db2.gz FXJJGDARPZEPNH-NSHDSACASA-N 2 0 249.358 0.959 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C1(C[NH3+])CCCC1 ZINC000334440565 386069130 /nfs/dbraw/zinc/06/91/30/386069130.db2.gz XHQSYYUKYZMREE-MNOVXSKESA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C1(C[NH3+])CCCC1 ZINC000334440564 386069280 /nfs/dbraw/zinc/06/92/80/386069280.db2.gz XHQSYYUKYZMREE-GHMZBOCLSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCNC[C@@H]2C)CC[NH2+]1 ZINC000414652794 386074990 /nfs/dbraw/zinc/07/49/90/386074990.db2.gz HJNXDOKASDHYMI-GRYCIOLGSA-N 2 0 211.353 0.668 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](C)C1 ZINC000345293100 386094134 /nfs/dbraw/zinc/09/41/34/386094134.db2.gz DVBXVWYJXQINGC-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCN1 ZINC000414663484 386100052 /nfs/dbraw/zinc/10/00/52/386100052.db2.gz SEYJFWKIFNNAFW-UTUOFQBUSA-N 2 0 211.353 0.668 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000353182744 386154615 /nfs/dbraw/zinc/15/46/15/386154615.db2.gz KNABFWFWOCHZEE-ZMLRMANQSA-N 2 0 239.363 0.713 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000353182742 386155381 /nfs/dbraw/zinc/15/53/81/386155381.db2.gz KNABFWFWOCHZEE-DLOVCJGASA-N 2 0 239.363 0.713 20 0 BCADRP C[NH+](C)CCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055122429 386157655 /nfs/dbraw/zinc/15/76/55/386157655.db2.gz LAVCRUQQSZJKSO-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]C2CC2)CC[N@@H+]1C ZINC000647756197 386157677 /nfs/dbraw/zinc/15/76/77/386157677.db2.gz ZVJGGXQRNPGGTA-MWLCHTKSSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)C[N@@H+](CC(N)=O)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414693524 386190431 /nfs/dbraw/zinc/19/04/31/386190431.db2.gz BZGCOAYYAFIDHY-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@@H](C(=O)N[C@H](C)C[NH+](C)C)[NH+](C)C ZINC000346134270 386163859 /nfs/dbraw/zinc/16/38/59/386163859.db2.gz BZYRBRXOTBXKEW-ZJUUUORDSA-N 2 0 215.341 0.393 20 0 BCADRP C[NH+](C)CCCCNC(=O)C1CC[NH+](C)CC1 ZINC000346137175 386165019 /nfs/dbraw/zinc/16/50/19/386165019.db2.gz UCOHCRYZYGCSCV-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2C(N)=O)CC[NH2+]1 ZINC000414681592 386165202 /nfs/dbraw/zinc/16/52/02/386165202.db2.gz PMYFCGIKIUYOHZ-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCCNc1ccccn1 ZINC000296374828 386168658 /nfs/dbraw/zinc/16/86/58/386168658.db2.gz KETPOKRANJRPCA-JTQLQIEISA-N 2 0 248.330 0.750 20 0 BCADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C1([NH3+])CC1 ZINC000334479748 386169536 /nfs/dbraw/zinc/16/95/36/386169536.db2.gz SNOLWZBJMYLCDH-IXBNRNDTSA-N 2 0 237.347 0.500 20 0 BCADRP CC[N@H+](CC(=O)N[C@H](C)C[NH+](C)C)C1CC1 ZINC000346238001 386178595 /nfs/dbraw/zinc/17/85/95/386178595.db2.gz ZJYFDDFYTANHRQ-SNVBAGLBSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H](NC(=O)c1c[nH+]ccc1N)[C@@H]1CCC[NH2+]C1 ZINC000296597283 386187473 /nfs/dbraw/zinc/18/74/73/386187473.db2.gz YEJAEMHTYDMJAT-NXEZZACHSA-N 2 0 248.330 0.782 20 0 BCADRP O[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000393458189 386128778 /nfs/dbraw/zinc/12/87/78/386128778.db2.gz FRKAQTZRFUGHEK-WRWGMCAJSA-N 2 0 210.321 0.726 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414669470 386128942 /nfs/dbraw/zinc/12/89/42/386128942.db2.gz BKRFUSNCIMTXQO-IJLUTSLNSA-N 2 0 240.347 0.869 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000129850257 386130117 /nfs/dbraw/zinc/13/01/17/386130117.db2.gz LRLMLMCMLWTKSD-VXGBXAGGSA-N 2 0 241.379 0.688 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638295296 386132718 /nfs/dbraw/zinc/13/27/18/386132718.db2.gz VXTZJFWUDWOZIW-LBPRGKRZSA-N 2 0 239.363 0.834 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000310136366 386133727 /nfs/dbraw/zinc/13/37/27/386133727.db2.gz ZNPSZYOBXJFWRT-NHCYSSNCSA-N 2 0 239.363 0.522 20 0 BCADRP C[NH2+]C[C@H]1CCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000414672917 386144117 /nfs/dbraw/zinc/14/41/17/386144117.db2.gz OHKSNQGBVCZGCL-VXGBXAGGSA-N 2 0 213.369 0.901 20 0 BCADRP C[C@@H]1C[C@H](C[N@H+](C)CC(C)(CO)CO)CC[NH2+]1 ZINC000414697232 386201857 /nfs/dbraw/zinc/20/18/57/386201857.db2.gz IHDABBOUCXOPNV-VXGBXAGGSA-N 2 0 244.379 0.297 20 0 BCADRP COCC[N@H+](CCO)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414699318 386202111 /nfs/dbraw/zinc/20/21/11/386202111.db2.gz SXEYOOPEIPSINP-RYUDHWBXSA-N 2 0 230.352 0.315 20 0 BCADRP CC(C)(C)[NH2+]CCN[C@H]1C[NH2+]CCC1(F)F ZINC000414998733 386205858 /nfs/dbraw/zinc/20/58/58/386205858.db2.gz JHOUREWSFUKXTL-VIFPVBQESA-N 2 0 235.322 0.961 20 0 BCADRP C[N@H+](CCNC(=O)NCCC[NH3+])C1CCCC1 ZINC000417506760 386206080 /nfs/dbraw/zinc/20/60/80/386206080.db2.gz MOHKNWBPRIFKMT-UHFFFAOYSA-N 2 0 242.367 0.509 20 0 BCADRP c1n[nH]cc1CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310567529 386206410 /nfs/dbraw/zinc/20/64/10/386206410.db2.gz MQPYNAMKBYMZRK-BETUJISGSA-N 2 0 234.347 0.884 20 0 BCADRP [NH3+]CCC[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000414702488 386207728 /nfs/dbraw/zinc/20/77/28/386207728.db2.gz XLEAKMISVXGPNY-CYBMUJFWSA-N 2 0 241.379 0.522 20 0 BCADRP CCC[N@@H+](CC(=O)NC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414700657 386207798 /nfs/dbraw/zinc/20/77/98/386207798.db2.gz ZQAYSWPENXAVQV-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(CCC[NH3+])C1 ZINC000414702628 386210998 /nfs/dbraw/zinc/21/09/98/386210998.db2.gz IXEJDCIEILUOKJ-GFCCVEGCSA-N 2 0 213.369 0.999 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000131761679 386222510 /nfs/dbraw/zinc/22/25/10/386222510.db2.gz PXDAWYOGMIMZEK-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000131773379 386222933 /nfs/dbraw/zinc/22/29/33/386222933.db2.gz WKWMVFJVYYTWRU-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN(CCC[NH3+])C1 ZINC000414711908 386227152 /nfs/dbraw/zinc/22/71/52/386227152.db2.gz TUWIFBCCLJHCTN-LBPRGKRZSA-N 2 0 213.369 0.999 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1CCC[NH2+]C1 ZINC000131931372 386227836 /nfs/dbraw/zinc/22/78/36/386227836.db2.gz JKVBGCSWPZUJGW-CMPLNLGQSA-N 2 0 227.352 0.476 20 0 BCADRP CC[C@@]1(C(=O)NC[C@@H]2CC[N@H+](C)C2)CCC[NH2+]1 ZINC000215331867 386230425 /nfs/dbraw/zinc/23/04/25/386230425.db2.gz YPUJTFHQTRMJIL-AAEUAGOBSA-N 2 0 239.363 0.587 20 0 BCADRP COC[C@](C)(CCO)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414714818 386232288 /nfs/dbraw/zinc/23/22/88/386232288.db2.gz VWDDKDHSJRMNGQ-AVGNSLFASA-N 2 0 244.379 0.752 20 0 BCADRP NC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647882661 386233591 /nfs/dbraw/zinc/23/35/91/386233591.db2.gz LBBIYJQVMSVUBU-GHMZBOCLSA-N 2 0 225.336 0.326 20 0 BCADRP NC(=O)CC[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647882720 386236729 /nfs/dbraw/zinc/23/67/29/386236729.db2.gz VNBPFCWZYDOAEH-NWDGAFQWSA-N 2 0 239.363 0.573 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000638350038 386242191 /nfs/dbraw/zinc/24/21/91/386242191.db2.gz AMFXONQRZFXCJL-PWSUYJOCSA-N 2 0 247.342 0.901 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000638350036 386242315 /nfs/dbraw/zinc/24/23/15/386242315.db2.gz AMFXONQRZFXCJL-CMPLNLGQSA-N 2 0 247.342 0.901 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1CC[NH2+]1 ZINC000336646709 386254408 /nfs/dbraw/zinc/25/44/08/386254408.db2.gz BIAQLYSMQUXGBA-UWVGGRQHSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CC[NH2+]1 ZINC000336646711 386255599 /nfs/dbraw/zinc/25/55/99/386255599.db2.gz BIAQLYSMQUXGBA-ZJUUUORDSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)[C@@H]1C[NH3+] ZINC000237513405 259683848 /nfs/dbraw/zinc/68/38/48/259683848.db2.gz IDRIARYGFTWIQV-GMTAPVOTSA-N 2 0 225.336 0.182 20 0 BCADRP CC[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414695139 386198327 /nfs/dbraw/zinc/19/83/27/386198327.db2.gz OEBDJPSKICXIGC-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@]1(CNC[C@]2(C)CCC[NH2+]C2)CC[NH2+]C1 ZINC000414900869 386289058 /nfs/dbraw/zinc/28/90/58/386289058.db2.gz FIUYZBLTJDBIIX-OLZOCXBDSA-N 2 0 225.380 0.965 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC[C@H]1CC[NH2+]C1 ZINC000647988105 386293049 /nfs/dbraw/zinc/29/30/49/386293049.db2.gz OKJMFVOEDKWDLO-QWRGUYRKSA-N 2 0 211.353 0.574 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC[C@@H]1CC[NH2+]C1 ZINC000647988103 386294209 /nfs/dbraw/zinc/29/42/09/386294209.db2.gz OKJMFVOEDKWDLO-GHMZBOCLSA-N 2 0 211.353 0.574 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000091391546 386297160 /nfs/dbraw/zinc/29/71/60/386297160.db2.gz YLWYRNLIWABZDR-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000336730929 386302579 /nfs/dbraw/zinc/30/25/79/386302579.db2.gz FAWWXOHLJWILBG-GXSJLCMTSA-N 2 0 213.325 0.372 20 0 BCADRP [NH3+]C1CCC([NH2+][C@@H]2CCCC[NH2+]C2)CC1 ZINC000335266638 386304969 /nfs/dbraw/zinc/30/49/69/386304969.db2.gz BWQWFPBVRYCUDQ-HTAVTVPLSA-N 3 0 211.353 0.988 20 0 BCADRP C[C@H](O)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000336670419 386314723 /nfs/dbraw/zinc/31/47/23/386314723.db2.gz GQCHMTOWOYCCJO-WDEREUQCSA-N 2 0 200.326 0.641 20 0 BCADRP CC[NH2+]CCNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000417538670 386315584 /nfs/dbraw/zinc/31/55/84/386315584.db2.gz DPJBNLPMCOUEEG-JTQLQIEISA-N 2 0 242.367 0.378 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@](C)(C(N)=O)C2)CC[NH2+]1 ZINC000414739967 386315853 /nfs/dbraw/zinc/31/58/53/386315853.db2.gz CNUMLXHXAJGXRF-WZRBSPASSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000236822791 386317410 /nfs/dbraw/zinc/31/74/10/386317410.db2.gz MJFXBZRHHJFLIK-NSHDSACASA-N 2 0 239.363 0.714 20 0 BCADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC000336652090 386267047 /nfs/dbraw/zinc/26/70/47/386267047.db2.gz WJIQEXLHWPHMFP-NEPJUHHUSA-N 2 0 212.337 0.906 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1([NH+](C)C)CC1 ZINC000416308440 386270639 /nfs/dbraw/zinc/27/06/39/386270639.db2.gz QPQMTSFRJVEXPT-MNOVXSKESA-N 2 0 239.363 0.395 20 0 BCADRP CC[C@H](C(=O)NCC1([NH+](C)C)CC1)[NH+](C)C ZINC000416307217 386271297 /nfs/dbraw/zinc/27/12/97/386271297.db2.gz JQMOYKVOMCSHFY-SNVBAGLBSA-N 2 0 227.352 0.537 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000289277620 386280093 /nfs/dbraw/zinc/28/00/93/386280093.db2.gz PTHNRQMSJRHZRQ-DRZSPHRISA-N 2 0 247.342 0.943 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](O)C3(CC3)C2)CC[NH2+]1 ZINC000414746205 386343110 /nfs/dbraw/zinc/34/31/10/386343110.db2.gz RUTQQCRPDHRZJG-UTUOFQBUSA-N 2 0 224.348 0.831 20 0 BCADRP c1ncn(CC2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000647989996 386386581 /nfs/dbraw/zinc/38/65/81/386386581.db2.gz NORUFEVUTFWRTG-CYBMUJFWSA-N 2 0 249.362 0.600 20 0 BCADRP C1CC[C@H](N[C@@H]2CCC[NH2+]CC2)C[NH2+]C1 ZINC000335269928 386354330 /nfs/dbraw/zinc/35/43/30/386354330.db2.gz LAGXQZWVISDQHK-NEPJUHHUSA-N 2 0 211.353 0.860 20 0 BCADRP CC[NH+](CC)CCNC(=O)/C=C/C[NH+](C)C ZINC000265637610 386354647 /nfs/dbraw/zinc/35/46/47/386354647.db2.gz PDSHZLRPVMSAKY-BQYQJAHWSA-N 2 0 227.352 0.562 20 0 BCADRP C[C@@H]1C[C@H](C[N@H+]2CC(=O)N(C)[C@H](C)C2)CC[NH2+]1 ZINC000414748844 386362603 /nfs/dbraw/zinc/36/26/03/386362603.db2.gz XIWKLLIMKZNRCC-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP C(C[N@@H+]1CC[C@]2(CCOC2)C1)N1CC[NH2+]CC1 ZINC000647890767 386382408 /nfs/dbraw/zinc/38/24/08/386382408.db2.gz OWULAXWFULPPJS-ZDUSSCGKSA-N 2 0 239.363 0.004 20 0 BCADRP COCCC[N@H+](CCO)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414742997 386331872 /nfs/dbraw/zinc/33/18/72/386331872.db2.gz GUOSIPNSVBUAAF-QWHCGFSZSA-N 2 0 244.379 0.705 20 0 BCADRP CC[N@H+](CCOCCO)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414743556 386335169 /nfs/dbraw/zinc/33/51/69/386335169.db2.gz HIDLTOBFFYLGOG-QWHCGFSZSA-N 2 0 244.379 0.705 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000334490085 386335461 /nfs/dbraw/zinc/33/54/61/386335461.db2.gz DOPSNHMLKPDMGF-RYUDHWBXSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000417134111 386452629 /nfs/dbraw/zinc/45/26/29/386452629.db2.gz IFCKSPWQCDFMBE-GMTAPVOTSA-N 2 0 240.351 0.260 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)N[C@@H](C)CC[NH3+] ZINC000417605717 386439209 /nfs/dbraw/zinc/43/92/09/386439209.db2.gz BZYCUHRYRXEFPR-NSHDSACASA-N 2 0 244.383 0.755 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)CC[NH2+]C1CC1 ZINC000519423466 386440577 /nfs/dbraw/zinc/44/05/77/386440577.db2.gz HJUGCDGIEFBFDJ-LBPRGKRZSA-N 2 0 227.352 0.618 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000417607984 386441404 /nfs/dbraw/zinc/44/14/04/386441404.db2.gz HXVSJRKXPWPTKG-LLVKDONJSA-N 2 0 242.367 0.461 20 0 BCADRP [NH3+][C@@H]1Cc2ccccc2N(C[C@@H]2CC[NH2+]C2)C1 ZINC000647992454 386448625 /nfs/dbraw/zinc/44/86/25/386448625.db2.gz AVMXZKFSTZXVGN-DGCLKSJQSA-N 2 0 231.343 0.986 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC000336719581 386450455 /nfs/dbraw/zinc/45/04/55/386450455.db2.gz XYHLWLVEKLOJJZ-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH+](CC)CCNC(=O)NC(C)(C)C[NH3+] ZINC000416799817 386390403 /nfs/dbraw/zinc/39/04/03/386390403.db2.gz PUVGSVNNGDJMBU-UHFFFAOYSA-N 2 0 230.356 0.365 20 0 BCADRP CC[N@H+](CCn1ccnc1)[C@H]1CCOC1 ZINC000336704878 386395624 /nfs/dbraw/zinc/39/56/24/386395624.db2.gz QUSCVGBRRBPUGO-NSHDSACASA-N 2 0 209.293 0.994 20 0 BCADRP CC[NH+](CC)CCCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000416807807 386396820 /nfs/dbraw/zinc/39/68/20/386396820.db2.gz GNXVSKXSBHIRQH-LLVKDONJSA-N 2 0 244.383 0.707 20 0 BCADRP CC[NH+](CC)CCNC(=O)NCCC[NH2+]C ZINC000416806217 386397244 /nfs/dbraw/zinc/39/72/44/386397244.db2.gz YZCNYXFQFSNEEB-UHFFFAOYSA-N 2 0 230.356 0.237 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000637829284 386404738 /nfs/dbraw/zinc/40/47/38/386404738.db2.gz KEYNSDKJOCDJMJ-JOYOIKCWSA-N 2 0 237.347 0.620 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000417134113 386451688 /nfs/dbraw/zinc/45/16/88/386451688.db2.gz IFCKSPWQCDFMBE-HBNTYKKESA-N 2 0 240.351 0.260 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)C[NH3+] ZINC000417583694 386412662 /nfs/dbraw/zinc/41/26/62/386412662.db2.gz LILPPBQMZNCHQV-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000647991491 386415346 /nfs/dbraw/zinc/41/53/46/386415346.db2.gz AAICWXISPYJSTN-MNOVXSKESA-N 2 0 208.309 0.471 20 0 BCADRP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000647991493 386417408 /nfs/dbraw/zinc/41/74/08/386417408.db2.gz AAICWXISPYJSTN-WDEREUQCSA-N 2 0 208.309 0.471 20 0 BCADRP [NH3+][C@H](CC(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000237871573 386417785 /nfs/dbraw/zinc/41/77/85/386417785.db2.gz VODCEYRTSYGTJG-QWHCGFSZSA-N 2 0 247.342 0.945 20 0 BCADRP C[C@H](C[C@H]1COCCN1)[NH2+]CCC[NH+](C)C ZINC000166088225 386417920 /nfs/dbraw/zinc/41/79/20/386417920.db2.gz MUAZWAJHSFOMFR-NEPJUHHUSA-N 2 0 229.368 0.295 20 0 BCADRP CC[C@H]1C(=O)NCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000134490673 386422195 /nfs/dbraw/zinc/42/21/95/386422195.db2.gz ZOAQPIYVHBSBAY-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000134365943 386423702 /nfs/dbraw/zinc/42/37/02/386423702.db2.gz GZWHFIXFQSBMOU-CMPLNLGQSA-N 2 0 225.336 0.387 20 0 BCADRP CC[C@]1(C(=O)N[C@H](C[NH3+])C2CC2)CCC[NH2+]1 ZINC000134369072 386426638 /nfs/dbraw/zinc/42/66/38/386426638.db2.gz IPBPMEWIUUEMQW-ZYHUDNBSSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])[NH+](C)C ZINC000228608969 386429796 /nfs/dbraw/zinc/42/97/96/386429796.db2.gz ZRTNETCKATYCIT-HLTSFMKQSA-N 2 0 201.314 0.036 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000417134119 386452447 /nfs/dbraw/zinc/45/24/47/386452447.db2.gz IFCKSPWQCDFMBE-VWYCJHECSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCC(C)(C)[NH+](C)C ZINC000394806593 386433441 /nfs/dbraw/zinc/43/34/41/386433441.db2.gz DSRJSQUGLSJHBZ-VIFPVBQESA-N 2 0 227.352 0.583 20 0 BCADRP C[NH+](C)CCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093676676 386434966 /nfs/dbraw/zinc/43/49/66/386434966.db2.gz GSXRZGNGRFHJRV-YOGCLGLASA-N 2 0 239.363 0.585 20 0 BCADRP CC1CC[NH+](CCNC(=O)N(C)CC[NH3+])CC1 ZINC000417008199 386435555 /nfs/dbraw/zinc/43/55/55/386435555.db2.gz IINBNJXEBOOYIW-UHFFFAOYSA-N 2 0 242.367 0.318 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000399278347 386475808 /nfs/dbraw/zinc/47/58/08/386475808.db2.gz YXZAAMHPZMNKIO-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000335453858 386528801 /nfs/dbraw/zinc/52/88/01/386528801.db2.gz GIVNPVCCFRPLSB-PHIMTYICSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+]CC1(CC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000335425517 386477591 /nfs/dbraw/zinc/47/75/91/386477591.db2.gz YPSLUTFDCSABCX-WDEREUQCSA-N 2 0 237.347 0.326 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062890450 386528893 /nfs/dbraw/zinc/52/88/93/386528893.db2.gz USKOCVAXORMLBP-LBPRGKRZSA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)[NH3+] ZINC000417290765 386478469 /nfs/dbraw/zinc/47/84/69/386478469.db2.gz YSASGJZKTZSDIQ-SECBINFHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H]1CN(C(=O)NCC[N@H+](C)C2CC2)CC[NH2+]1 ZINC000417634499 386479368 /nfs/dbraw/zinc/47/93/68/386479368.db2.gz ZAOMSXHSWQJGMO-SNVBAGLBSA-N 2 0 240.351 0.084 20 0 BCADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000519544393 386481506 /nfs/dbraw/zinc/48/15/06/386481506.db2.gz JGTKUIBSOAVGNM-ZDUSSCGKSA-N 2 0 243.395 0.230 20 0 BCADRP [NH3+]CC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000335428613 386484094 /nfs/dbraw/zinc/48/40/94/386484094.db2.gz IXWINQDQCQOBFC-LLVKDONJSA-N 2 0 219.288 0.030 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)c1ccnc(C[NH3+])c1 ZINC000519549010 386484170 /nfs/dbraw/zinc/48/41/70/386484170.db2.gz ZNHSPYICKUBPGT-SECBINFHSA-N 2 0 236.319 0.126 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)c1c[nH+]ccc1N ZINC000187178436 386486765 /nfs/dbraw/zinc/48/67/65/386486765.db2.gz SIXBYBUIWKZFIU-QMMMGPOBSA-N 2 0 222.292 0.249 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000335432890 386491556 /nfs/dbraw/zinc/49/15/56/386491556.db2.gz FEQXBBBEZXQELS-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000417318079 386495623 /nfs/dbraw/zinc/49/56/23/386495623.db2.gz KTNRMOZULYZCMO-MNOVXSKESA-N 2 0 242.367 0.378 20 0 BCADRP CN(Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1CCOC1 ZINC000135265135 386500337 /nfs/dbraw/zinc/50/03/37/386500337.db2.gz UCVGDIHJOXDKDD-MRVPVSSYSA-N 2 0 240.307 0.484 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)C[NH+]1CCCC1 ZINC000062117034 386501875 /nfs/dbraw/zinc/50/18/75/386501875.db2.gz ZUBMTSCRLSGBJY-NWDGAFQWSA-N 2 0 239.363 0.444 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000062112368 386503362 /nfs/dbraw/zinc/50/33/62/386503362.db2.gz OWUMVTIECAQXAN-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP CC(C)C[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000062116052 386503371 /nfs/dbraw/zinc/50/33/71/386503371.db2.gz WSMVDXRKMRLILC-RYUDHWBXSA-N 2 0 241.379 0.688 20 0 BCADRP [NH3+][C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CCC1 ZINC000519601079 386504858 /nfs/dbraw/zinc/50/48/58/386504858.db2.gz NGWZIHYIMRLKFZ-SRVKXCTJSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335446806 386511196 /nfs/dbraw/zinc/51/11/96/386511196.db2.gz SSCRAJNXHXRODN-GHMZBOCLSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335446809 386511373 /nfs/dbraw/zinc/51/13/73/386511373.db2.gz SSCRAJNXHXRODN-WDEREUQCSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[C@H](C)[NH3+] ZINC000519641279 386513765 /nfs/dbraw/zinc/51/37/65/386513765.db2.gz DZGUYKGYNANGDI-QEYWKRMJSA-N 2 0 213.325 0.226 20 0 BCADRP Cc1c[nH]nc1CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000335447270 386513888 /nfs/dbraw/zinc/51/38/88/386513888.db2.gz BRLZPXBOKZHHPS-ZJUUUORDSA-N 2 0 208.309 0.887 20 0 BCADRP Cc1c[nH]nc1CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000335447269 386514853 /nfs/dbraw/zinc/51/48/53/386514853.db2.gz BRLZPXBOKZHHPS-VHSXEESVSA-N 2 0 208.309 0.887 20 0 BCADRP CC(C)(C)[NH2+]CCN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000414784325 386515341 /nfs/dbraw/zinc/51/53/41/386515341.db2.gz HGDUDQKKJLGQEZ-MNOVXSKESA-N 2 0 211.353 0.668 20 0 BCADRP C[C@]1(CN2CCC3(CC[NH2+]3)CC2)CC[NH2+]C1 ZINC000335448800 386516495 /nfs/dbraw/zinc/51/64/95/386516495.db2.gz SUSTVBYCZIGXFT-LBPRGKRZSA-N 2 0 223.364 0.814 20 0 BCADRP Cc1c[nH]nc1CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000335449144 386517228 /nfs/dbraw/zinc/51/72/28/386517228.db2.gz VZLBNUHJATURER-NXEZZACHSA-N 2 0 208.309 0.887 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])CC(F)F ZINC000519655009 386518838 /nfs/dbraw/zinc/51/88/38/386518838.db2.gz WSNUDMAQYMTKRH-NKWVEPMBSA-N 2 0 235.278 0.226 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000519654862 386520550 /nfs/dbraw/zinc/52/05/50/386520550.db2.gz WHUVFUSCJNYGAB-UZWSLXQKSA-N 2 0 237.347 0.324 20 0 BCADRP CC[C@@H](COC)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414786069 386521757 /nfs/dbraw/zinc/52/17/57/386521757.db2.gz WOPSUQNUWFOQOJ-LBPRGKRZSA-N 2 0 229.368 0.296 20 0 BCADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC000415038714 386524340 /nfs/dbraw/zinc/52/43/40/386524340.db2.gz OFCLRDMMQRWKAU-IEECTRCBSA-N 2 0 224.348 0.997 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000399205527 386455308 /nfs/dbraw/zinc/45/53/08/386455308.db2.gz OSCZDTKRYNDWPM-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000417143373 386455657 /nfs/dbraw/zinc/45/56/57/386455657.db2.gz UJDXYTHGUNMPPW-QWRGUYRKSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@H](CNC(=O)[C@H]([NH3+])C1CCC1)[NH+](C)C ZINC000399223141 386460455 /nfs/dbraw/zinc/46/04/55/386460455.db2.gz LKUFORIRDMWYOF-PSASIEDQSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]([NH3+])C1CCC1)[NH+](C)C ZINC000399223154 386460582 /nfs/dbraw/zinc/46/05/82/386460582.db2.gz LKUFORIRDMWYOF-WPRPVWTQSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H](CNC(=O)NCC[NH3+])C[NH+]1CCCCC1 ZINC000417196022 386462185 /nfs/dbraw/zinc/46/21/85/386462185.db2.gz QTIJOQLJJDUGLZ-LLVKDONJSA-N 2 0 242.367 0.366 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)NCC[N@H+](C)C1CC1 ZINC000417625431 386463009 /nfs/dbraw/zinc/46/30/09/386463009.db2.gz MCSCAFBWUVXSPC-VIFPVBQESA-N 2 0 228.340 0.069 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000094647860 386466010 /nfs/dbraw/zinc/46/60/10/386466010.db2.gz MKBCRCGSFPBDHX-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP O=C(NCC1C[NH2+]C1)c1ccc2c[nH+]cn2c1 ZINC000335413514 386577369 /nfs/dbraw/zinc/57/73/69/386577369.db2.gz OUZSJEHVPPHYNJ-UHFFFAOYSA-N 2 0 230.271 0.284 20 0 BCADRP C[C@]1(CN[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000414923596 386580247 /nfs/dbraw/zinc/58/02/47/386580247.db2.gz IQDJYAFHEQOWEL-UTUOFQBUSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@]1(CN[C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000414923597 386580650 /nfs/dbraw/zinc/58/06/50/386580650.db2.gz IQDJYAFHEQOWEL-WOPDTQHZSA-N 2 0 211.353 0.846 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000647779457 386581115 /nfs/dbraw/zinc/58/11/15/386581115.db2.gz KQVJWNUFXLSUPI-CMPLNLGQSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CC1CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000647779812 386583228 /nfs/dbraw/zinc/58/32/28/386583228.db2.gz SYUYVJHVUOJNQV-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000647905024 386585053 /nfs/dbraw/zinc/58/50/53/386585053.db2.gz LLTMALKATFMWDJ-WOPDTQHZSA-N 2 0 211.353 0.655 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])C1 ZINC000335416730 386585294 /nfs/dbraw/zinc/58/52/94/386585294.db2.gz KTGACDDTCGBGCX-YPMHNXCESA-N 2 0 247.342 0.802 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000335423632 386598527 /nfs/dbraw/zinc/59/85/27/386598527.db2.gz NVDBEVHQTSCKKZ-JOYOIKCWSA-N 2 0 239.363 0.700 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]([NH3+])C(C)C)C1 ZINC000062972670 386534214 /nfs/dbraw/zinc/53/42/14/386534214.db2.gz KLHBXSRYUHKBSO-NWDGAFQWSA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)Cn1cccn1 ZINC000414789122 386535689 /nfs/dbraw/zinc/53/56/89/386535689.db2.gz FALZLFYDFVIBCT-MNOVXSKESA-N 2 0 210.325 0.845 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973335 386536172 /nfs/dbraw/zinc/53/61/72/386536172.db2.gz FPSSOXBMARVRQN-QWRGUYRKSA-N 2 0 225.336 0.420 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000519702116 386537350 /nfs/dbraw/zinc/53/73/50/386537350.db2.gz GFZSPGOHWCFUOJ-DJLDLDEBSA-N 2 0 247.289 0.179 20 0 BCADRP C[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335459723 386539864 /nfs/dbraw/zinc/53/98/64/386539864.db2.gz CHMUIWXSWMYHCR-WPRPVWTQSA-N 2 0 219.288 0.250 20 0 BCADRP CC(C)(C)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063178315 386541599 /nfs/dbraw/zinc/54/15/99/386541599.db2.gz LKUJTPUVQUSPFM-LLVKDONJSA-N 2 0 241.379 0.819 20 0 BCADRP C[NH2+]CCCC(=O)NCC[N@H+](C)C1CC1 ZINC000062010204 386558210 /nfs/dbraw/zinc/55/82/10/386558210.db2.gz LZRPOSQSDBVUOJ-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP C[C@@H](NC(=O)C1([NH3+])CCC1)[C@H]1CCC[NH2+]C1 ZINC000335407001 386566862 /nfs/dbraw/zinc/56/68/62/386566862.db2.gz OAXLJSVSKXIAOC-ZJUUUORDSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000335409108 386570302 /nfs/dbraw/zinc/57/03/02/386570302.db2.gz AGIYBSIJDNYJQR-RYUDHWBXSA-N 2 0 239.363 0.585 20 0 BCADRP COC(=O)C1(C[NH2+]C[C@@H]([NH3+])CC(C)C)CC1 ZINC000415112635 386619813 /nfs/dbraw/zinc/61/98/13/386619813.db2.gz VRGYLLRXZOZEMT-JTQLQIEISA-N 2 0 228.336 0.903 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000335497586 386620545 /nfs/dbraw/zinc/62/05/45/386620545.db2.gz YBWQHIPGXAWJBX-MNOVXSKESA-N 2 0 239.363 0.490 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062904261 386655755 /nfs/dbraw/zinc/65/57/55/386655755.db2.gz MRDQLRKOBNALTA-LLVKDONJSA-N 2 0 213.325 0.054 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062889450 386631890 /nfs/dbraw/zinc/63/18/90/386631890.db2.gz AXVAMUUOVDFLBR-LLVKDONJSA-N 2 0 213.325 0.054 20 0 BCADRP C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000415138974 386633323 /nfs/dbraw/zinc/63/33/23/386633323.db2.gz ZJULGMKNBGSMDW-JHJVBQTASA-N 2 0 225.380 0.903 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000520269116 386635657 /nfs/dbraw/zinc/63/56/57/386635657.db2.gz BVNMDPATBBTYAA-SRVKXCTJSA-N 2 0 241.379 0.783 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000335506168 386636509 /nfs/dbraw/zinc/63/65/09/386636509.db2.gz WOQZZGAYYSXNNC-UWVGGRQHSA-N 2 0 213.325 0.275 20 0 BCADRP CC[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)CC[C@@H]1[NH3+] ZINC000647937766 386646279 /nfs/dbraw/zinc/64/62/79/386646279.db2.gz ATDXIXUVMQHJAT-OLZOCXBDSA-N 2 0 249.358 0.945 20 0 BCADRP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1[NH3+] ZINC000335511860 386646578 /nfs/dbraw/zinc/64/65/78/386646578.db2.gz AWIOJXHPSYTNSK-QWRGUYRKSA-N 2 0 237.347 0.420 20 0 BCADRP C(CC1CC[NH2+]CC1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647949422 386648564 /nfs/dbraw/zinc/64/85/64/386648564.db2.gz XXIICJIAWICDSU-OKILXGFUSA-N 3 0 237.391 0.917 20 0 BCADRP C1C[C@@H]([NH2+][C@H]2CCC[C@H]3OCC[C@H]32)C[NH2+]1 ZINC000415087148 386606564 /nfs/dbraw/zinc/60/65/64/386606564.db2.gz KPBKBHPOEBEMQJ-NOOOWODRSA-N 2 0 210.321 0.896 20 0 BCADRP CC(C)(C)[C@H](O)C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415090465 386610776 /nfs/dbraw/zinc/61/07/76/386610776.db2.gz OXOKRGSOSFFATE-ZYHUDNBSSA-N 2 0 214.353 0.983 20 0 BCADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CC[NH2+]1 ZINC000335495247 386615496 /nfs/dbraw/zinc/61/54/96/386615496.db2.gz KCESELHRJYUEGN-LLVKDONJSA-N 2 0 217.272 0.590 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000335520509 386659316 /nfs/dbraw/zinc/65/93/16/386659316.db2.gz FJEFBDXMHUYBQV-RYUDHWBXSA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000335522460 386663436 /nfs/dbraw/zinc/66/34/36/386663436.db2.gz VKLUHRZUJUCVAB-NSHDSACASA-N 2 0 227.352 0.524 20 0 BCADRP [NH3+]CCCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973344 386666603 /nfs/dbraw/zinc/66/66/03/386666603.db2.gz UDUBJDVWYIQWTF-LBPRGKRZSA-N 2 0 211.353 0.895 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C[NH2+]C)C1 ZINC000062972715 386667546 /nfs/dbraw/zinc/66/75/46/386667546.db2.gz ULLZJLJIAFKASU-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000520405788 386667900 /nfs/dbraw/zinc/66/79/00/386667900.db2.gz WWQFWMAWWHVWGR-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)C[C@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)[NH+](C)C ZINC000520412219 386670415 /nfs/dbraw/zinc/67/04/15/386670415.db2.gz PIOTXJJXEDRUJF-GRYCIOLGSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H]1C[C@@H](C[NH2+][C@@H]2CCCNC2)CC[NH2+]1 ZINC000414926857 386672660 /nfs/dbraw/zinc/67/26/60/386672660.db2.gz NUGOSWHTALOCLQ-SDDRHHMPSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@]1(C[NH3+])CC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000647954462 386681110 /nfs/dbraw/zinc/68/11/10/386681110.db2.gz NJPMBAYDXCVFEE-CHWSQXEVSA-N 2 0 242.363 0.853 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(CCOCC[NH3+])C1 ZINC000357081531 386709274 /nfs/dbraw/zinc/70/92/74/386709274.db2.gz VGQNRVCDGYBYMH-GFCCVEGCSA-N 2 0 229.368 0.235 20 0 BCADRP C[C@]1(F)C[NH2+]CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000335481938 386709950 /nfs/dbraw/zinc/70/99/50/386709950.db2.gz XYHWMNZEYHNVRM-RYUDHWBXSA-N 2 0 229.343 0.619 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN(CCOCC[NH3+])C1 ZINC000357079453 386710549 /nfs/dbraw/zinc/71/05/49/386710549.db2.gz SOEABGVXJISFDC-ZDUSSCGKSA-N 2 0 243.395 0.625 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000357069907 386711740 /nfs/dbraw/zinc/71/17/40/386711740.db2.gz HXYSKWVNQITLBO-LBPRGKRZSA-N 2 0 238.335 0.495 20 0 BCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CC[NH3+] ZINC000335473796 386696870 /nfs/dbraw/zinc/69/68/70/386696870.db2.gz FPDFZILJKUZISC-JTQLQIEISA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000335475452 386699675 /nfs/dbraw/zinc/69/96/75/386699675.db2.gz AJUWTIBKNKASMM-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@@H](C)[NH3+] ZINC000335478235 386703242 /nfs/dbraw/zinc/70/32/42/386703242.db2.gz QXNKQSPHRKTEBP-MNOVXSKESA-N 2 0 227.352 0.522 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000526945702 386705764 /nfs/dbraw/zinc/70/57/64/386705764.db2.gz VAOJNFNAJPYHDO-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP CCOC[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000357082360 386713424 /nfs/dbraw/zinc/71/34/24/386713424.db2.gz WOTSQFKZNDSPMF-LBPRGKRZSA-N 2 0 230.352 0.710 20 0 BCADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000335485674 386714576 /nfs/dbraw/zinc/71/45/76/386714576.db2.gz GPGBQQXKLPUYTC-JOYOIKCWSA-N 2 0 233.315 0.798 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000417786317 386719481 /nfs/dbraw/zinc/71/94/81/386719481.db2.gz QVKDUXQVPAAYFR-GMTAPVOTSA-N 2 0 225.336 0.243 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000645101110 386721529 /nfs/dbraw/zinc/72/15/29/386721529.db2.gz WIUFCDYXWSZDMU-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414832883 386721545 /nfs/dbraw/zinc/72/15/45/386721545.db2.gz FDRMUTSSOFNFIQ-TUAOUCFPSA-N 3 0 213.369 0.820 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](C)C[NH3+])C1 ZINC000357235374 386745094 /nfs/dbraw/zinc/74/50/94/386745094.db2.gz BWHWCRDIDMZMCG-NWDGAFQWSA-N 2 0 241.379 0.772 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](C)C[NH3+])C1 ZINC000357235376 386745574 /nfs/dbraw/zinc/74/55/74/386745574.db2.gz BWHWCRDIDMZMCG-RYUDHWBXSA-N 2 0 241.379 0.772 20 0 BCADRP C[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000335539900 386747973 /nfs/dbraw/zinc/74/79/73/386747973.db2.gz ZJOYGBQATZGYRJ-CMPLNLGQSA-N 2 0 225.336 0.244 20 0 BCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)C[NH3+] ZINC000357254081 386748654 /nfs/dbraw/zinc/74/86/54/386748654.db2.gz YQTHLZPKDBWYJU-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334149615 386750009 /nfs/dbraw/zinc/75/00/09/386750009.db2.gz HTTYBOXERYLKOR-ZYHUDNBSSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H](Cn1cncn1)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425941442 386754805 /nfs/dbraw/zinc/75/48/05/386754805.db2.gz ZLNBGDCTEIINRN-NWDGAFQWSA-N 2 0 239.367 0.844 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000357302122 386755009 /nfs/dbraw/zinc/75/50/09/386755009.db2.gz PSFIRIYGJSIHLQ-XWLWVQCSSA-N 2 0 227.352 0.617 20 0 BCADRP [NH3+]CCOCC[N@H+](CCCCO)C1CC1 ZINC000336663671 386759006 /nfs/dbraw/zinc/75/90/06/386759006.db2.gz KWLYCIJDMVKKKE-UHFFFAOYSA-N 2 0 216.325 0.199 20 0 BCADRP C[NH+]1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC000335640895 386764763 /nfs/dbraw/zinc/76/47/63/386764763.db2.gz CWCCBZLDFDHLJR-LBPRGKRZSA-N 2 0 211.353 0.812 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366537482 386770137 /nfs/dbraw/zinc/77/01/37/386770137.db2.gz YIYDBGYHPBAKIH-NEPJUHHUSA-N 2 0 244.404 0.738 20 0 BCADRP C[C@H]([NH3+])C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357356325 386768314 /nfs/dbraw/zinc/76/83/14/386768314.db2.gz QUHYZAZYUQELPR-JTQLQIEISA-N 2 0 227.352 0.701 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000357241178 386742244 /nfs/dbraw/zinc/74/22/44/386742244.db2.gz MQHMDAOLYRUGDU-VWYCJHECSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000357231466 386742265 /nfs/dbraw/zinc/74/22/65/386742265.db2.gz ZVQHVWYZJFMHDG-NQBHXWOUSA-N 2 0 239.363 0.477 20 0 BCADRP C[C@@H]1COCC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000192129307 386743627 /nfs/dbraw/zinc/74/36/27/386743627.db2.gz UOBVKAWIGPKZTN-MNOVXSKESA-N 2 0 200.326 0.953 20 0 BCADRP Cn1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1=O ZINC000647908298 386744263 /nfs/dbraw/zinc/74/42/63/386744263.db2.gz MGSWZHWULZTTGB-AWEZNQCLSA-N 2 0 247.342 0.571 20 0 BCADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCO)C1 ZINC000340861225 386790177 /nfs/dbraw/zinc/79/01/77/386790177.db2.gz BYXSDIRJLWOYEA-GFCCVEGCSA-N 2 0 230.352 0.411 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000417811262 386790263 /nfs/dbraw/zinc/79/02/63/386790263.db2.gz JJRMIORAVYCJPL-QWRGUYRKSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417831612 386793066 /nfs/dbraw/zinc/79/30/66/386793066.db2.gz HWKRLHGCGVHGSA-KATARQTJSA-N 2 0 213.325 0.308 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C1 ZINC000417837962 386796882 /nfs/dbraw/zinc/79/68/82/386796882.db2.gz MXYONBZWVJSVEI-RHYQMDGZSA-N 2 0 239.363 0.583 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366537485 386771311 /nfs/dbraw/zinc/77/13/11/386771311.db2.gz YIYDBGYHPBAKIH-VXGBXAGGSA-N 2 0 244.404 0.738 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)C1CC1 ZINC000340814217 386780298 /nfs/dbraw/zinc/78/02/98/386780298.db2.gz HJCGZEVSFMLLOW-PWSUYJOCSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)C1CC1 ZINC000340814213 386780525 /nfs/dbraw/zinc/78/05/25/386780525.db2.gz HJCGZEVSFMLLOW-JQWIXIFHSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000417827142 386784694 /nfs/dbraw/zinc/78/46/94/386784694.db2.gz CVAPQGDUEUNYCU-SRVKXCTJSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)C[C@H]([NH3+])CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000414934228 386797313 /nfs/dbraw/zinc/79/73/13/386797313.db2.gz SRCKGMWQXUCFAY-SRVKXCTJSA-N 2 0 213.369 0.947 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000417842429 386798744 /nfs/dbraw/zinc/79/87/44/386798744.db2.gz PTHNRQMSJRHZRQ-WCFLWFBJSA-N 2 0 247.342 0.943 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000417845188 386799006 /nfs/dbraw/zinc/79/90/06/386799006.db2.gz XKGPZHAPRPMNGG-KKOKHZNYSA-N 2 0 239.363 0.618 20 0 BCADRP CN(CC[NH3+])C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000417843035 386799242 /nfs/dbraw/zinc/79/92/42/386799242.db2.gz QCZQEHZWZXUGHV-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000336669062 386799677 /nfs/dbraw/zinc/79/96/77/386799677.db2.gz RDJXPFSIEBGVLH-QMMMGPOBSA-N 2 0 237.294 0.427 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000417841524 386800186 /nfs/dbraw/zinc/80/01/86/386800186.db2.gz XLXMFAZIWHHQSB-WYUUTHIRSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H](NC(=O)N(C)CC[NH3+])C(C)(C)C[NH+](C)C ZINC000417850804 386802187 /nfs/dbraw/zinc/80/21/87/386802187.db2.gz FLZPKBQMFQJVSX-JTQLQIEISA-N 2 0 244.383 0.563 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H](CC[NH3+])C(F)F)C1 ZINC000417852290 386802473 /nfs/dbraw/zinc/80/24/73/386802473.db2.gz NYIFQBVVTPANSU-VGMNWLOBSA-N 2 0 249.305 0.473 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000417848182 386804655 /nfs/dbraw/zinc/80/46/55/386804655.db2.gz VJAWAUHJBIZSCD-DCAQKATOSA-N 2 0 241.379 0.864 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000417846866 386804784 /nfs/dbraw/zinc/80/47/84/386804784.db2.gz UGALMNPSQHWPQC-SRVKXCTJSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000417848244 386805005 /nfs/dbraw/zinc/80/50/05/386805005.db2.gz KISUAXWXEKCTFT-VWYCJHECSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@H]1C[C@H](NC(=O)NCCC[NH3+])C[N@@H+]1C1CC1 ZINC000417859697 386805072 /nfs/dbraw/zinc/80/50/72/386805072.db2.gz SKEBKSSPYCZGOR-UWVGGRQHSA-N 2 0 240.351 0.260 20 0 BCADRP CN(CC[NH3+])C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000417847037 386805733 /nfs/dbraw/zinc/80/57/33/386805733.db2.gz UNXVABGGRHKUSQ-VHSXEESVSA-N 2 0 213.325 0.311 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000417847476 386806230 /nfs/dbraw/zinc/80/62/30/386806230.db2.gz USVXTRRCUVQZMD-YUMQZZPRSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)[C@H](C)[NH3+] ZINC000417859255 386806330 /nfs/dbraw/zinc/80/63/30/386806330.db2.gz VXPASFQRDMKGIO-IVZWLZJFSA-N 2 0 227.352 0.617 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000417849393 386808134 /nfs/dbraw/zinc/80/81/34/386808134.db2.gz WLENFZPVQWVARF-VHSXEESVSA-N 2 0 229.368 0.864 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000417849390 386808529 /nfs/dbraw/zinc/80/85/29/386808529.db2.gz WLENFZPVQWVARF-NXEZZACHSA-N 2 0 229.368 0.864 20 0 BCADRP C[C@H]1[C@H](NC(=O)N2CC[C@H]([NH3+])C2)CCC[N@@H+]1C ZINC000417993827 386809454 /nfs/dbraw/zinc/80/94/54/386809454.db2.gz BBMYQEVVBLNDOX-GARJFASQSA-N 2 0 240.351 0.212 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)CCC[N@@H+]1C ZINC000417993830 386809933 /nfs/dbraw/zinc/80/99/33/386809933.db2.gz BBMYQEVVBLNDOX-MXWKQRLJSA-N 2 0 240.351 0.212 20 0 BCADRP C[C@H]1[C@@H](NC(=O)N2CC[C@H]([NH3+])C2)CCC[N@@H+]1C ZINC000417993826 386810572 /nfs/dbraw/zinc/81/05/72/386810572.db2.gz BBMYQEVVBLNDOX-DCAQKATOSA-N 2 0 240.351 0.212 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000366554729 386832218 /nfs/dbraw/zinc/83/22/18/386832218.db2.gz KVHSDMZGRGLWEH-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCC[NH+]1CCCC1 ZINC000395073608 386846129 /nfs/dbraw/zinc/84/61/29/386846129.db2.gz NISRXYYQKZQVSK-LLVKDONJSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]1[C@@H](NC(=O)NCCC[NH3+])CCC[N@@H+]1C ZINC000418004222 386847336 /nfs/dbraw/zinc/84/73/36/386847336.db2.gz NXLOJYNCPFRLIR-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000331375800 386848183 /nfs/dbraw/zinc/84/81/83/386848183.db2.gz HXJNDXMKZFHGTK-HBNTYKKESA-N 2 0 240.351 0.069 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000331375799 386848413 /nfs/dbraw/zinc/84/84/13/386848413.db2.gz HXJNDXMKZFHGTK-GARJFASQSA-N 2 0 240.351 0.069 20 0 BCADRP Cc1nc[nH]c1CC(=O)NC[C@@H](C)C[NH+](C)C ZINC000293636935 386850789 /nfs/dbraw/zinc/85/07/89/386850789.db2.gz DCLBTXGFDVCAKC-SECBINFHSA-N 2 0 238.335 0.575 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[C@H](C)[NH3+] ZINC000367285219 386850999 /nfs/dbraw/zinc/85/09/99/386850999.db2.gz CCYOVYZXHLGNCA-NTZNESFSSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)NCC(C)(C)[NH3+])CCC[N@@H+]1C ZINC000418010797 386892157 /nfs/dbraw/zinc/89/21/57/386892157.db2.gz WEACIKKTWJJNHL-ZJUUUORDSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@H](C[C@@H]1CCC[NH2+]1)NCC1([NH3+])CCC1 ZINC000331511615 386862174 /nfs/dbraw/zinc/86/21/74/386862174.db2.gz BKBAFQSWJFWZHG-MNOVXSKESA-N 2 0 211.353 0.988 20 0 BCADRP C[C@H](C[C@H]1CCC[NH2+]1)NCC1([NH3+])CCC1 ZINC000331511614 386862404 /nfs/dbraw/zinc/86/24/04/386862404.db2.gz BKBAFQSWJFWZHG-GHMZBOCLSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH+](C)C ZINC000341285422 386877361 /nfs/dbraw/zinc/87/73/61/386877361.db2.gz YFMICWSAWOSJPN-LLVKDONJSA-N 2 0 241.379 0.642 20 0 BCADRP C[NH+](C)[C@H](CNc1cc[nH+]cc1C(N)=O)C1CC1 ZINC000302012881 386896510 /nfs/dbraw/zinc/89/65/10/386896510.db2.gz DGECSFSPNKTHGY-GFCCVEGCSA-N 2 0 248.330 0.933 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000418011571 386898840 /nfs/dbraw/zinc/89/88/40/386898840.db2.gz XADZEOQSPWNBHA-MMWGEVLESA-N 2 0 242.367 0.504 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000418011574 386899878 /nfs/dbraw/zinc/89/98/78/386899878.db2.gz XADZEOQSPWNBHA-XWLWVQCSSA-N 2 0 242.367 0.504 20 0 BCADRP C[C@]1(CN2CCO[C@H](CF)C2)CC[NH2+]C1 ZINC000334851295 386900281 /nfs/dbraw/zinc/90/02/81/386900281.db2.gz BQWBWXGVKMUQDV-MNOVXSKESA-N 2 0 216.300 0.656 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000418012775 386907293 /nfs/dbraw/zinc/90/72/93/386907293.db2.gz YKNSVOBQXYXWLB-GUBZILKMSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@@H]1C[C@H](C[N@H+](C)C2CC([NH3+])C2)CC[NH2+]1 ZINC000334869596 386928366 /nfs/dbraw/zinc/92/83/66/386928366.db2.gz PMMKNUPFXMQKMH-QYNFOATHSA-N 3 0 211.353 0.796 20 0 BCADRP C[C@]1(CN[C@@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000334873123 386932498 /nfs/dbraw/zinc/93/24/98/386932498.db2.gz HENIRLDLVKULQV-NEPJUHHUSA-N 2 0 211.353 0.718 20 0 BCADRP C[C@H]1C[C@@H](C[N@H+](C)C2CC(O)C2)CC[NH2+]1 ZINC000334871699 386932540 /nfs/dbraw/zinc/93/25/40/386932540.db2.gz ZPOJTERPCMMQRE-JYBOHDQNSA-N 2 0 212.337 0.830 20 0 BCADRP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368088900 386939249 /nfs/dbraw/zinc/93/92/49/386939249.db2.gz GQHVVPSWWVCJHG-SRVKXCTJSA-N 2 0 237.347 0.196 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000368114800 386940939 /nfs/dbraw/zinc/94/09/39/386940939.db2.gz JNVDADZISCSPGR-VWYCJHECSA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000368112107 386941411 /nfs/dbraw/zinc/94/14/11/386941411.db2.gz BEOACKSFXWUMIY-GHMZBOCLSA-N 2 0 225.336 0.052 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000518939635 386942639 /nfs/dbraw/zinc/94/26/39/386942639.db2.gz OJSQWBSKDCNZNH-ZDUSSCGKSA-N 2 0 241.379 0.880 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000332163859 386963054 /nfs/dbraw/zinc/96/30/54/386963054.db2.gz RPBOLKMHRFIDTL-OUAUKWLOSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000332180689 386966306 /nfs/dbraw/zinc/96/63/06/386966306.db2.gz OOTSNDGNANYIII-IQJOONFLSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)N[C@H](C[NH3+])C2CC2)[C@H]1C ZINC000332180687 386966650 /nfs/dbraw/zinc/96/66/50/386966650.db2.gz OOTSNDGNANYIII-ATZCPNFKSA-N 2 0 240.351 0.116 20 0 BCADRP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@@H]2[NH3+])CCCCC1 ZINC000332177806 386967060 /nfs/dbraw/zinc/96/70/60/386967060.db2.gz VSYDTKOKZVDKHA-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368388160 386970003 /nfs/dbraw/zinc/97/00/03/386970003.db2.gz PLJOUUNFVCMIHV-TUAOUCFPSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000368460205 386974451 /nfs/dbraw/zinc/97/44/51/386974451.db2.gz AIPVTHAKRNFLCR-GARJFASQSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NCC1([NH3+])CCC1 ZINC000332422364 386980138 /nfs/dbraw/zinc/98/01/38/386980138.db2.gz CXHBVWQQPALXCE-QWRGUYRKSA-N 2 0 211.353 0.975 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)CC(C)(C)[NH3+])C[C@@H]1C[NH3+] ZINC000643425978 386996727 /nfs/dbraw/zinc/99/67/27/386996727.db2.gz ZROCRYJLOGMRDX-VWYCJHECSA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)[C@H](C[NH2+][C@H](C)CC(N)=O)[NH+]1CCCC1 ZINC000341899341 386998829 /nfs/dbraw/zinc/99/88/29/386998829.db2.gz OFDFJQDNFWHGJJ-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368683662 387002726 /nfs/dbraw/zinc/00/27/26/387002726.db2.gz QNOMGSFLBSWNAK-NWDGAFQWSA-N 2 0 239.363 0.300 20 0 BCADRP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228078128 387066344 /nfs/dbraw/zinc/06/63/44/387066344.db2.gz LMYACUBMOAPZPS-SDDRHHMPSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)C1CC1 ZINC000369168854 387031708 /nfs/dbraw/zinc/03/17/08/387031708.db2.gz WCJNEFQHKIXRST-NQBHXWOUSA-N 2 0 237.347 0.230 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000334954796 387032987 /nfs/dbraw/zinc/03/29/87/387032987.db2.gz XLBRMEFMWMXXIC-JTQLQIEISA-N 2 0 240.351 0.213 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000334955431 387034591 /nfs/dbraw/zinc/03/45/91/387034591.db2.gz HKKKUMSLGKGDEF-GHMZBOCLSA-N 2 0 242.367 0.317 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333435448 387036262 /nfs/dbraw/zinc/03/62/62/387036262.db2.gz VHVIEJQGGWPCJE-AXFHLTTASA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H](CNC(=O)[C@H]([NH3+])C1CCC1)[N@H+](C)C1CC1 ZINC000398996792 387036891 /nfs/dbraw/zinc/03/68/91/387036891.db2.gz PXYWFGSBMVYGOP-JOYOIKCWSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H](CNC(=O)[C@H]([NH3+])C1CCC1)[N@H+](C)C1CC1 ZINC000398996790 387037650 /nfs/dbraw/zinc/03/76/50/387037650.db2.gz PXYWFGSBMVYGOP-BXKDBHETSA-N 2 0 239.363 0.713 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000399005909 387037953 /nfs/dbraw/zinc/03/79/53/387037953.db2.gz YBHJFGPEEJUSSM-GXSJLCMTSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000399026397 387040880 /nfs/dbraw/zinc/04/08/80/387040880.db2.gz HMAVHHLMRKFEQC-LBPRGKRZSA-N 2 0 239.363 0.572 20 0 BCADRP CN(CC[NH3+])C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000334961154 387041408 /nfs/dbraw/zinc/04/14/08/387041408.db2.gz NEAVIXQIRJURTN-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000334960701 387041541 /nfs/dbraw/zinc/04/15/41/387041541.db2.gz XFGGIWQHQNKIED-NEPJUHHUSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000333534267 387042156 /nfs/dbraw/zinc/04/21/56/387042156.db2.gz IIVVYYUWVYIBFJ-WDEREUQCSA-N 2 0 225.336 0.230 20 0 BCADRP CCN(CC)C(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074083 387043525 /nfs/dbraw/zinc/04/35/25/387043525.db2.gz YMFDTEFPNHWBKD-GFCCVEGCSA-N 2 0 241.379 0.916 20 0 BCADRP C[C@H]1C(=O)NCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000334966029 387047266 /nfs/dbraw/zinc/04/72/66/387047266.db2.gz DSLIGZNQKVIETM-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000333668328 387047534 /nfs/dbraw/zinc/04/75/34/387047534.db2.gz MRBATDPEVOPWOL-OUAUKWLOSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000648107814 387051071 /nfs/dbraw/zinc/05/10/71/387051071.db2.gz ROIZAVOMPLMWFN-VHSXEESVSA-N 2 0 227.352 0.700 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C[N@H+](C)C(C)C ZINC000359214407 387067117 /nfs/dbraw/zinc/06/71/17/387067117.db2.gz DMNNINOHHDTPDB-GFCCVEGCSA-N 2 0 241.379 0.927 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333746507 387054412 /nfs/dbraw/zinc/05/44/12/387054412.db2.gz YJHJYCOYAFAQCT-MNOVXSKESA-N 2 0 240.351 0.261 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000399079623 387055353 /nfs/dbraw/zinc/05/53/53/387055353.db2.gz RGBJSPIUJZSCNR-RYUDHWBXSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000333810379 387056403 /nfs/dbraw/zinc/05/64/03/387056403.db2.gz JDQJEGYGZHZDOA-HBNTYKKESA-N 2 0 240.351 0.130 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCc1c[nH]cn1 ZINC000359131062 387056977 /nfs/dbraw/zinc/05/69/77/387056977.db2.gz LSZCZQGCXMBXGZ-UHFFFAOYSA-N 2 0 210.281 0.366 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000228005469 387060241 /nfs/dbraw/zinc/06/02/41/387060241.db2.gz RKTASHQZCMEGAF-GHMZBOCLSA-N 2 0 227.352 0.428 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H](C[NH3+])C(C)C)C1CC1 ZINC000228005551 387060806 /nfs/dbraw/zinc/06/08/06/387060806.db2.gz ZBRUFVQGOSWMBF-GFCCVEGCSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070252051 387061278 /nfs/dbraw/zinc/06/12/78/387061278.db2.gz YNQDBJHZYOQRFJ-LLVKDONJSA-N 2 0 239.363 0.444 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000110374421 387062214 /nfs/dbraw/zinc/06/22/14/387062214.db2.gz WZSMDKQXBGEOCN-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C[C@@H]21 ZINC000648109043 387064185 /nfs/dbraw/zinc/06/41/85/387064185.db2.gz OQBLFSSATZFPBS-LYUGOTMTSA-N 2 0 249.358 0.323 20 0 BCADRP CC1=CC[N@H+](CCNC(=O)N[C@@H](C)C[NH3+])CC1 ZINC000418021422 387015744 /nfs/dbraw/zinc/01/57/44/387015744.db2.gz JIXZSNUXXAGTOL-NSHDSACASA-N 2 0 240.351 0.285 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[NH2+]CC1 ZINC000334939738 387015869 /nfs/dbraw/zinc/01/58/69/387015869.db2.gz FFYFLNDCGPKFJP-QWRGUYRKSA-N 2 0 240.351 0.119 20 0 BCADRP [NH3+]CCCCC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000648103418 387019719 /nfs/dbraw/zinc/01/97/19/387019719.db2.gz SYZXYNMOJKFAIA-NSHDSACASA-N 2 0 225.336 0.468 20 0 BCADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc21 ZINC000333280407 387025465 /nfs/dbraw/zinc/02/54/65/387025465.db2.gz MIWLLCKBFWCKKU-ITGHMWBKSA-N 2 0 229.327 0.939 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000333333102 387028738 /nfs/dbraw/zinc/02/87/38/387028738.db2.gz WOGOYARWVLXPCT-MMVSWEMESA-N 2 0 228.336 0.507 20 0 BCADRP O=C(NCC1C[NH2+]C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000648105889 387029138 /nfs/dbraw/zinc/02/91/38/387029138.db2.gz DNNVAUUKZYKXGU-UTUOFQBUSA-N 2 0 237.347 0.243 20 0 BCADRP O=C(NCC1C[NH2+]C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000648105890 387029761 /nfs/dbraw/zinc/02/97/61/387029761.db2.gz DNNVAUUKZYKXGU-WOPDTQHZSA-N 2 0 237.347 0.243 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)C[NH2+]C ZINC000359218837 387070314 /nfs/dbraw/zinc/07/03/14/387070314.db2.gz PGUPPQWZZUTMIE-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP COCCCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766335 387071593 /nfs/dbraw/zinc/07/15/93/387071593.db2.gz MNSXCAKJBUWYJG-CYBMUJFWSA-N 2 0 244.379 0.802 20 0 BCADRP CC[NH2+]CCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000418066427 387083601 /nfs/dbraw/zinc/08/36/01/387083601.db2.gz XELPXZHQFMNIEL-UHFFFAOYSA-N 2 0 242.367 0.379 20 0 BCADRP CC[N@H+](CCNC(=O)N[C@@H](C)[C@H](C)[NH3+])C1CC1 ZINC000417427478 387090265 /nfs/dbraw/zinc/09/02/65/387090265.db2.gz JCUVMXKRIYZZJO-UWVGGRQHSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000352341315 387092278 /nfs/dbraw/zinc/09/22/78/387092278.db2.gz WYUQLFQIESEZCJ-MNOVXSKESA-N 2 0 244.383 0.576 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1CCN(C)C[C@@H]1C ZINC000228451321 387094006 /nfs/dbraw/zinc/09/40/06/387094006.db2.gz MIVYOKMNSPYMCG-WDEREUQCSA-N 2 0 227.352 0.666 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000370158361 387095824 /nfs/dbraw/zinc/09/58/24/387095824.db2.gz FMCHKZOETMXOMY-AXFHLTTASA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000370223705 387097861 /nfs/dbraw/zinc/09/78/61/387097861.db2.gz VBPXMQFOJBOVCT-ZMLRMANQSA-N 2 0 233.315 0.287 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071377517 387102466 /nfs/dbraw/zinc/10/24/66/387102466.db2.gz VNNOVGLLTQRPDB-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000334946375 387108791 /nfs/dbraw/zinc/10/87/91/387108791.db2.gz WUNYXDADIJLCRZ-NSHDSACASA-N 2 0 240.351 0.086 20 0 BCADRP C[NH+](C)Cc1ccc(CNC(=O)C2([NH3+])CC2)cc1 ZINC000353086998 387114581 /nfs/dbraw/zinc/11/45/81/387114581.db2.gz LUCVJDDDTQEDOH-UHFFFAOYSA-N 2 0 247.342 0.856 20 0 BCADRP C[C@@]1(F)C[NH2+]CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647981637 387114757 /nfs/dbraw/zinc/11/47/57/387114757.db2.gz CNFXEHLIYQTQOS-GHMZBOCLSA-N 2 0 215.316 0.229 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)c1ccc2c[nH+]cn2c1 ZINC000335031295 387126815 /nfs/dbraw/zinc/12/68/15/387126815.db2.gz RRIBFBNUUGXUOG-SNVBAGLBSA-N 2 0 230.271 0.426 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C[NH+](C)C ZINC000359582823 387127796 /nfs/dbraw/zinc/12/77/96/387127796.db2.gz OSPLMFDTJHNWHI-VIFPVBQESA-N 2 0 201.314 0.004 20 0 BCADRP CC[NH+](CC)CCCNC(=O)CC1(C[NH3+])CC1 ZINC000423298853 387129707 /nfs/dbraw/zinc/12/97/07/387129707.db2.gz OZKLKAYEYLKLIT-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000119597347 387142989 /nfs/dbraw/zinc/14/29/89/387142989.db2.gz ZSPBXAFYDWOZQI-GFCCVEGCSA-N 2 0 243.326 0.241 20 0 BCADRP C1CC1[C@@H](N[C@H]1CCC[NH2+]C1)[C@H]1C[NH2+]CCO1 ZINC000423308449 387144187 /nfs/dbraw/zinc/14/41/87/387144187.db2.gz XZGRVBPTJHVQJQ-YNEHKIRRSA-N 2 0 239.363 0.095 20 0 BCADRP CC[C@@H](NC[C@H]([NH3+])C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423311619 387147937 /nfs/dbraw/zinc/14/79/37/387147937.db2.gz CCUMLPVIMZLTAF-TUAOUCFPSA-N 2 0 211.353 0.844 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)C1 ZINC000353166714 387148293 /nfs/dbraw/zinc/14/82/93/387148293.db2.gz KCJOXIAFJJUURJ-IJLUTSLNSA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000353180742 387150377 /nfs/dbraw/zinc/15/03/77/387150377.db2.gz DNPFUGURMAVYSR-WOPDTQHZSA-N 2 0 239.363 0.441 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062860555 387164020 /nfs/dbraw/zinc/16/40/20/387164020.db2.gz JBFREGNAKPUUQC-CYBMUJFWSA-N 2 0 241.379 0.834 20 0 BCADRP COC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)C(C)C ZINC000423330841 387175547 /nfs/dbraw/zinc/17/55/47/387175547.db2.gz UHJMHMIQMJZRDH-GHMZBOCLSA-N 2 0 200.326 0.984 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000371261913 387184455 /nfs/dbraw/zinc/18/44/55/387184455.db2.gz FNTMVNVSWPHLPU-SRVKXCTJSA-N 2 0 239.363 0.809 20 0 BCADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCO ZINC000371295804 387186900 /nfs/dbraw/zinc/18/69/00/387186900.db2.gz VEHGALUOJVWTFZ-AGIUHOORSA-N 2 0 242.363 0.552 20 0 BCADRP COCC[NH2+]CCN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423339236 387187677 /nfs/dbraw/zinc/18/76/77/387187677.db2.gz SESUAPDNPKRHAD-NEPJUHHUSA-N 2 0 241.379 0.437 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CC1(C[NH3+])CC1 ZINC000423338974 387187940 /nfs/dbraw/zinc/18/79/40/387187940.db2.gz BGHWNTDNCVIELS-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000062942812 387188185 /nfs/dbraw/zinc/18/81/85/387188185.db2.gz YTHSOZORAFRGBW-RYUDHWBXSA-N 2 0 239.363 0.666 20 0 BCADRP C[N@@H+]1CC[C@H](NC2C[NH2+]C2)[C@H]2CCC[C@H]21 ZINC000571908116 387190051 /nfs/dbraw/zinc/19/00/51/387190051.db2.gz FHKKTKZKPYHQGC-GRYCIOLGSA-N 2 0 209.337 0.421 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)C1(C)C[NH2+]C1 ZINC000423341023 387190167 /nfs/dbraw/zinc/19/01/67/387190167.db2.gz WIHFLATWYPGWII-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP CC[C@@H](Cn1cncn1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000353380437 387191646 /nfs/dbraw/zinc/19/16/46/387191646.db2.gz BXYGAEAPCTWPKG-RYUDHWBXSA-N 2 0 239.367 0.987 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000353463685 387208113 /nfs/dbraw/zinc/20/81/13/387208113.db2.gz WIJGZIMQAHBHHQ-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423358527 387211007 /nfs/dbraw/zinc/21/10/07/387211007.db2.gz NTZPMJAXAXVQGK-UTUOFQBUSA-N 2 0 211.353 0.716 20 0 BCADRP CC[N@@H+]1C[C@@H](C)[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000423361225 387212170 /nfs/dbraw/zinc/21/21/70/387212170.db2.gz RIFYWLYSTIMCIR-IJLUTSLNSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@@H]1C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[N@@H+]1C1CC1 ZINC000423425024 387252806 /nfs/dbraw/zinc/25/28/06/387252806.db2.gz GIMQLTKHBLGZIO-DTPMLBFTSA-N 2 0 221.348 0.419 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418192968 387213543 /nfs/dbraw/zinc/21/35/43/387213543.db2.gz BCKMOIDLTUGQHD-GARJFASQSA-N 2 0 244.383 0.750 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000572015988 387215457 /nfs/dbraw/zinc/21/54/57/387215457.db2.gz ZMGUZDNKYVMBDQ-QWRGUYRKSA-N 2 0 242.367 0.494 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000418203877 387217653 /nfs/dbraw/zinc/21/76/53/387217653.db2.gz WLTJZCVFPDZUGK-WDEREUQCSA-N 2 0 244.383 0.752 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000353503552 387218263 /nfs/dbraw/zinc/21/82/63/387218263.db2.gz BVNPOAZCHOSTBO-KXNHARMFSA-N 2 0 239.363 0.569 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000418204724 387220011 /nfs/dbraw/zinc/22/00/11/387220011.db2.gz MDHUKSIFXUHBRS-UWVGGRQHSA-N 2 0 230.356 0.219 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000418209548 387221753 /nfs/dbraw/zinc/22/17/53/387221753.db2.gz RNAMPPOJZLQHMM-ZJUUUORDSA-N 2 0 230.356 0.091 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000423404792 387239519 /nfs/dbraw/zinc/23/95/19/387239519.db2.gz XRSVRECOZNKURN-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)CC[NH3+] ZINC000572119055 387239525 /nfs/dbraw/zinc/23/95/25/387239525.db2.gz GGMNQZHSAMPGJS-DTWKUNHWSA-N 2 0 201.314 0.228 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423406598 387242731 /nfs/dbraw/zinc/24/27/31/387242731.db2.gz UWSRNFDRNCLUCI-WISYIIOYSA-N 2 0 211.353 0.524 20 0 BCADRP CC[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCC[NH2+]1 ZINC000423423975 387251181 /nfs/dbraw/zinc/25/11/81/387251181.db2.gz FCUHVARSRCUKRY-KZZRWZIVSA-N 2 0 209.337 0.324 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH2+]C)C1 ZINC000571893820 387194590 /nfs/dbraw/zinc/19/45/90/387194590.db2.gz FBNBFCMPIXWHRQ-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H]2CC[NH2+]C2)C1 ZINC000423348142 387196487 /nfs/dbraw/zinc/19/64/87/387196487.db2.gz SSVZHTLTYZSHCT-SDDRHHMPSA-N 2 0 211.353 0.526 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)C1(C)C[NH2+]C1)C1CC1 ZINC000423347993 387196719 /nfs/dbraw/zinc/19/67/19/387196719.db2.gz RPVVEHVSKFUQGJ-SNVBAGLBSA-N 2 0 225.336 0.052 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])C1CCC1)C1CC1 ZINC000423349204 387201173 /nfs/dbraw/zinc/20/11/73/387201173.db2.gz WCHBVIBMBZWDKL-NEPJUHHUSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423465546 387313159 /nfs/dbraw/zinc/31/31/59/387313159.db2.gz WOOCNPLQHLSWDK-CMPLNLGQSA-N 2 0 241.379 0.995 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000514940360 387319303 /nfs/dbraw/zinc/31/93/03/387319303.db2.gz SFDJSKCREATJPW-CMPLNLGQSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000249024160 387316305 /nfs/dbraw/zinc/31/63/05/387316305.db2.gz LGGLJMPNLUYTTI-GUBZILKMSA-N 2 0 213.325 0.086 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188186867 387257183 /nfs/dbraw/zinc/25/71/83/387257183.db2.gz PZAGXJSBVHYKOH-GARJFASQSA-N 2 0 245.342 0.518 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188185512 387257256 /nfs/dbraw/zinc/25/72/56/387257256.db2.gz IOWHHWBGARRVHZ-OUAUKWLOSA-N 2 0 243.326 0.192 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000336432899 387258679 /nfs/dbraw/zinc/25/86/79/387258679.db2.gz PNWQTRADPKNUHF-NWDGAFQWSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423378699 387260873 /nfs/dbraw/zinc/26/08/73/387260873.db2.gz MQOIIVXBHODTLL-DDHJBXDOSA-N 2 0 211.353 0.667 20 0 BCADRP CC[NH2+][C@H](C)CN[C@@H]1CC[N@H+](CCOC)C1 ZINC000423386496 387271384 /nfs/dbraw/zinc/27/13/84/387271384.db2.gz RZIGEIQICZLSKZ-VXGBXAGGSA-N 2 0 229.368 0.295 20 0 BCADRP OCCN1CCCC[C@@H]1C[NH2+]Cc1cn[nH]c1 ZINC000648643908 387271507 /nfs/dbraw/zinc/27/15/07/387271507.db2.gz OLSLMAOBGFCOGX-GFCCVEGCSA-N 2 0 238.335 0.346 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000372099016 387272937 /nfs/dbraw/zinc/27/29/37/387272937.db2.gz PZTXZLKKSMIIAH-ZYHUDNBSSA-N 2 0 243.326 0.241 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000372119026 387274246 /nfs/dbraw/zinc/27/42/46/387274246.db2.gz UFAJKKKWVWSGSJ-NEPJUHHUSA-N 2 0 245.342 0.568 20 0 BCADRP C[C@H](NC[C@@H]1[NH2+]CCCC1(C)C)C1C[NH2+]C1 ZINC000423390457 387276037 /nfs/dbraw/zinc/27/60/37/387276037.db2.gz OKKBTOUVZXWHBT-JQWIXIFHSA-N 2 0 225.380 0.962 20 0 BCADRP CC/C=C/CNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000572227736 387282069 /nfs/dbraw/zinc/28/20/69/387282069.db2.gz VTPUVXPBJLNRRF-SGUJLRQBSA-N 2 0 240.351 0.237 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000514732456 387282505 /nfs/dbraw/zinc/28/25/05/387282505.db2.gz IWSUGQBQVVRXMS-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000514738876 387285098 /nfs/dbraw/zinc/28/50/98/387285098.db2.gz MGRSLMMYRRSJRS-VHSXEESVSA-N 2 0 229.368 0.687 20 0 BCADRP C[NH2+]Cc1cccc(NC(=O)[C@H](C[NH3+])OC)c1 ZINC000514788638 387285569 /nfs/dbraw/zinc/28/55/69/387285569.db2.gz WJCCAGDLOKBUSA-NSHDSACASA-N 2 0 237.303 0.318 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418375431 387285810 /nfs/dbraw/zinc/28/58/10/387285810.db2.gz TXWMKXHDQKXFEZ-SNVBAGLBSA-N 2 0 242.367 0.555 20 0 BCADRP C[C@H]1CCNC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423435039 387286517 /nfs/dbraw/zinc/28/65/17/387286517.db2.gz OLJANQUZSCCDLX-SCUASFONSA-N 2 0 237.391 0.962 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000572257670 387287227 /nfs/dbraw/zinc/28/72/27/387287227.db2.gz ZUMGEDRHPCNBAR-AGIUHOORSA-N 2 0 241.379 0.303 20 0 BCADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000423438557 387288745 /nfs/dbraw/zinc/28/87/45/387288745.db2.gz VAUPXQNCFWQKOJ-ZDEQEGDKSA-N 2 0 242.363 0.362 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@H](C[NH2+]C)C2)CC[NH2+]C1 ZINC000360465651 387291256 /nfs/dbraw/zinc/29/12/56/387291256.db2.gz GSRRZSBJNUXTGJ-YPMHNXCESA-N 2 0 239.363 0.444 20 0 BCADRP COc1ccc(C[C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000423442674 387292245 /nfs/dbraw/zinc/29/22/45/387292245.db2.gz ZJWURIWNFZJGAW-WUWHUORYSA-N 2 0 247.342 0.829 20 0 BCADRP COC[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000121077629 387292883 /nfs/dbraw/zinc/29/28/83/387292883.db2.gz HGHLFKPGYAZVJG-OLZOCXBDSA-N 2 0 243.395 0.494 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000514860701 387297413 /nfs/dbraw/zinc/29/74/13/387297413.db2.gz RSHHFTRIHQNWOF-QCNOEVLYSA-N 2 0 237.347 0.324 20 0 BCADRP CO[C@H]1CCC[C@@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000643499616 387300144 /nfs/dbraw/zinc/30/01/44/387300144.db2.gz PFVYHDFSDGHYPY-OLZOCXBDSA-N 2 0 241.379 0.439 20 0 BCADRP CCC[C@@H](C(=O)NC[C@H](C)C[NH3+])[NH+](C)C ZINC000423453796 387301128 /nfs/dbraw/zinc/30/11/28/387301128.db2.gz KWOAHRUXZSEDAY-ZJUUUORDSA-N 2 0 215.341 0.428 20 0 BCADRP CCC[C@@H](C(=O)NC[C@@H](C)C[NH3+])[NH+](C)C ZINC000423453794 387302313 /nfs/dbraw/zinc/30/23/13/387302313.db2.gz KWOAHRUXZSEDAY-UWVGGRQHSA-N 2 0 215.341 0.428 20 0 BCADRP CCC[C@H](C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[NH+](C)C ZINC000423461559 387308135 /nfs/dbraw/zinc/30/81/35/387308135.db2.gz JUJYSIKNFQHDEM-GRYCIOLGSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000648121502 387309215 /nfs/dbraw/zinc/30/92/15/387309215.db2.gz QRJJCFZQUKROLS-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@]1(CNC(=O)CC2(C[NH3+])CC2)CCC[NH2+]C1 ZINC000423527148 387356505 /nfs/dbraw/zinc/35/65/05/387356505.db2.gz RIDLJPNMBQCQEO-GFCCVEGCSA-N 2 0 239.363 0.621 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000643502090 387357041 /nfs/dbraw/zinc/35/70/41/387357041.db2.gz XFFOKQRVZSBIKP-WOPDTQHZSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@@H]1C[NH2+]CCO1 ZINC000423530855 387357779 /nfs/dbraw/zinc/35/77/79/387357779.db2.gz XJICVMBAUYHZIN-WXHSDQCUSA-N 2 0 239.363 0.047 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCCC[NH2+]1 ZINC000643502726 387362697 /nfs/dbraw/zinc/36/26/97/387362697.db2.gz ORRYUAOKUOQJCS-IJLUTSLNSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000393747175 259711322 /nfs/dbraw/zinc/71/13/22/259711322.db2.gz NQAIQJLIXXSUCK-UTLUCORTSA-N 2 0 213.325 0.086 20 0 BCADRP CCC[C@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C)[NH+](C)C ZINC000423592426 387384453 /nfs/dbraw/zinc/38/44/53/387384453.db2.gz KPXRSGSWQOWPPL-GRYCIOLGSA-N 2 0 241.379 0.831 20 0 BCADRP CCC[C@H](C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)[NH+](C)C ZINC000423548281 387369635 /nfs/dbraw/zinc/36/96/35/387369635.db2.gz MKXHQXKGAVAWHX-SDDRHHMPSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@H]1CCCC[NH2+]C1 ZINC000423553606 387371857 /nfs/dbraw/zinc/37/18/57/387371857.db2.gz KNVFCNGXGWRXET-FRRDWIJNSA-N 2 0 241.379 0.485 20 0 BCADRP C[C@H](C[C@@H]1COCCN1)[NH2+]CCC[NH2+]C1CC1 ZINC000423554194 387372144 /nfs/dbraw/zinc/37/21/44/387372144.db2.gz LKRNSWLWSGEORK-DGCLKSJQSA-N 2 0 241.379 0.485 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1NCCC[NH2+]C1CC1 ZINC000423568534 387378036 /nfs/dbraw/zinc/37/80/36/387378036.db2.gz VLYXFQUFGRFHEL-ZYHUDNBSSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000423471386 387319345 /nfs/dbraw/zinc/31/93/45/387319345.db2.gz FDHWDAYJUPNAIK-OPRDCNLKSA-N 2 0 233.306 0.571 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000336498265 387323354 /nfs/dbraw/zinc/32/33/54/387323354.db2.gz JISLDVXBPLPEIQ-CMPLNLGQSA-N 2 0 225.336 0.339 20 0 BCADRP CC[C@H]([NH3+])CN[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423479936 387326477 /nfs/dbraw/zinc/32/64/77/387326477.db2.gz VQCVKAFCXLSNMC-SCVCMEIPSA-N 2 0 211.353 0.796 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000372808884 387329386 /nfs/dbraw/zinc/32/93/86/387329386.db2.gz VLWXQERPZARKHB-OFLUOSHYSA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372879392 387331299 /nfs/dbraw/zinc/33/12/99/387331299.db2.gz OWCLEVYVOHXRFV-UWVGGRQHSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000423486148 387331724 /nfs/dbraw/zinc/33/17/24/387331724.db2.gz BOOVJDHOUMYEHG-UHFFFAOYSA-N 2 0 239.363 0.444 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372879394 387331927 /nfs/dbraw/zinc/33/19/27/387331927.db2.gz OWCLEVYVOHXRFV-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H]([NH3+])C1CC1)[C@@H](C)[NH3+] ZINC000423488085 387333312 /nfs/dbraw/zinc/33/33/12/387333312.db2.gz YHCGBGPAWJHHGH-IEBDPFPHSA-N 2 0 227.352 0.459 20 0 BCADRP CC[C@@H]1C(=O)NCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000396672015 387383076 /nfs/dbraw/zinc/38/30/76/387383076.db2.gz RTEUDFRQKHRXLM-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000423491725 387335957 /nfs/dbraw/zinc/33/59/57/387335957.db2.gz ZQUIJEAQTKVJKX-MXWKQRLJSA-N 2 0 247.333 0.961 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423494392 387337774 /nfs/dbraw/zinc/33/77/74/387337774.db2.gz DDBSQFIOVVPFCR-KKOKHZNYSA-N 2 0 211.353 0.701 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000354156110 387337896 /nfs/dbraw/zinc/33/78/96/387337896.db2.gz VPSKSYROLJBGEQ-VHSXEESVSA-N 2 0 213.325 0.147 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)c1ccc2c[nH+]cn2c1 ZINC000423494018 387338316 /nfs/dbraw/zinc/33/83/16/387338316.db2.gz COFVSFDKTRVBJR-VIFPVBQESA-N 2 0 232.287 0.801 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373044962 387342376 /nfs/dbraw/zinc/34/23/76/387342376.db2.gz WKMULWYUMIRXKP-MDZLAQPJSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373042525 387342979 /nfs/dbraw/zinc/34/29/79/387342979.db2.gz MDRZXZPVXJMOHF-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)NCC1([NH3+])CCC1 ZINC000423504691 387343662 /nfs/dbraw/zinc/34/36/62/387343662.db2.gz GETMHMXWMZPGLL-UHFFFAOYSA-N 2 0 248.330 0.759 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000309804521 387344303 /nfs/dbraw/zinc/34/43/03/387344303.db2.gz RUKKJLWVHLJOEV-BBBLOLIVSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000373066176 387344390 /nfs/dbraw/zinc/34/43/90/387344390.db2.gz OSZKGTYELDVWIQ-KXNHARMFSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H](NC[C@@H]1C[NH2+]CCN1C)[C@H]1CCCC[NH2+]1 ZINC000423507086 387345077 /nfs/dbraw/zinc/34/50/77/387345077.db2.gz HPJYHWYXOZNWIF-FRRDWIJNSA-N 2 0 240.395 0.010 20 0 BCADRP CCC[C@H](C(=O)N[C@H](C)CC[NH3+])[NH+](C)C ZINC000423509458 387345165 /nfs/dbraw/zinc/34/51/65/387345165.db2.gz JTALLJGODCXGMZ-NXEZZACHSA-N 2 0 215.341 0.570 20 0 BCADRP O=C(C1C[NH2+]C1)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000373564298 387383670 /nfs/dbraw/zinc/38/36/70/387383670.db2.gz XXVDLKHZLIIQIA-CMPLNLGQSA-N 2 0 237.347 0.196 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C[NH+](C)C ZINC000423512638 387348670 /nfs/dbraw/zinc/34/86/70/387348670.db2.gz PADNQFGXOUKQEJ-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000423845212 387433658 /nfs/dbraw/zinc/43/36/58/387433658.db2.gz KDAPGKCKIJEDCF-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000648124286 387434428 /nfs/dbraw/zinc/43/44/28/387434428.db2.gz WROSQGYVRICSQO-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC1)[C@H](C)[NH3+] ZINC000423844578 387434869 /nfs/dbraw/zinc/43/48/69/387434869.db2.gz JDQPQCHMQXOTHW-ZJUUUORDSA-N 2 0 227.352 0.522 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000423845655 387435060 /nfs/dbraw/zinc/43/50/60/387435060.db2.gz KNTLADRVHUEUBZ-CYBMUJFWSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@]1(C(=O)N[C@H](C)CC[NH+](C)C)CCC[NH2+]1 ZINC000121999392 387445509 /nfs/dbraw/zinc/44/55/09/387445509.db2.gz SVRQCWSTDXCWTL-DGCLKSJQSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[NH+](CC)CC ZINC000423939301 387455048 /nfs/dbraw/zinc/45/50/48/387455048.db2.gz AGWXQTLENBGDOZ-IJLUTSLNSA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000162092635 387462288 /nfs/dbraw/zinc/46/22/88/387462288.db2.gz WVCICWAOFKSLMS-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)C[NH+](C)C ZINC000423947995 387455250 /nfs/dbraw/zinc/45/52/50/387455250.db2.gz WPEXOUMWKOWRFM-ZDUSSCGKSA-N 2 0 249.358 0.927 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000423940770 387455500 /nfs/dbraw/zinc/45/55/00/387455500.db2.gz BCXJWRPULYRHFB-NSHDSACASA-N 2 0 227.352 0.524 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000374468740 387456800 /nfs/dbraw/zinc/45/68/00/387456800.db2.gz KHSIOAVUDYCSGH-WRWGMCAJSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000374468335 387456942 /nfs/dbraw/zinc/45/69/42/387456942.db2.gz HRBNKPODQBGILX-YFKTTZPYSA-N 2 0 237.347 0.467 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423951712 387457066 /nfs/dbraw/zinc/45/70/66/387457066.db2.gz ZHBUPGJMIHKTRM-SNVBAGLBSA-N 2 0 227.352 0.605 20 0 BCADRP C[C@@H]1CN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)C[C@H]1[NH3+] ZINC000423953951 387457517 /nfs/dbraw/zinc/45/75/17/387457517.db2.gz BOTMFMDABYTRBP-DDHJBXDOSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@@H]1CN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C[C@H]1[NH3+] ZINC000423953953 387457830 /nfs/dbraw/zinc/45/78/30/387457830.db2.gz BOTMFMDABYTRBP-WISYIIOYSA-N 2 0 239.363 0.665 20 0 BCADRP CCC[C@H](C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000423620295 387387525 /nfs/dbraw/zinc/38/75/25/387387525.db2.gz JHMVWJMCGASVHC-QJPTWQEYSA-N 2 0 241.379 0.973 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000423657232 387391962 /nfs/dbraw/zinc/39/19/62/387391962.db2.gz YJOOPUCGRFTBGK-ZJUUUORDSA-N 2 0 213.325 0.276 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@H]([NH3+])[C@@H](C)C1)[NH+](C)C ZINC000423971789 387460037 /nfs/dbraw/zinc/46/00/37/387460037.db2.gz HKBNZTWGCVWLFK-DCAQKATOSA-N 2 0 227.352 0.378 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000423682789 387396778 /nfs/dbraw/zinc/39/67/78/387396778.db2.gz PERTUDCLGFQUEB-SNVBAGLBSA-N 2 0 232.287 0.801 20 0 BCADRP CN(C(=O)CC1(C[NH3+])CC1)C1(C[NH3+])CCC1 ZINC000423703891 387400822 /nfs/dbraw/zinc/40/08/22/387400822.db2.gz LIYKPAMECXYZHW-UHFFFAOYSA-N 2 0 225.336 0.455 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423704250 387400907 /nfs/dbraw/zinc/40/09/07/387400907.db2.gz DJFFJTLDGKCYAN-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)[NH+](C)C ZINC000423971799 387460502 /nfs/dbraw/zinc/46/05/02/387460502.db2.gz HKBNZTWGCVWLFK-VWYCJHECSA-N 2 0 227.352 0.378 20 0 BCADRP C1[NH2+]CC1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000515634023 387404226 /nfs/dbraw/zinc/40/42/26/387404226.db2.gz DESRAQCQEPEDAT-GRYCIOLGSA-N 2 0 209.337 0.469 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000423740687 387404475 /nfs/dbraw/zinc/40/44/75/387404475.db2.gz JESZPWSFXPSACW-UTUOFQBUSA-N 2 0 239.363 0.537 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH3+] ZINC000423752407 387409953 /nfs/dbraw/zinc/40/99/53/387409953.db2.gz APILGYWGGNMPBS-VHSXEESVSA-N 2 0 215.341 0.570 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC[NH3+] ZINC000423769240 387417885 /nfs/dbraw/zinc/41/78/85/387417885.db2.gz GAZDSRMHUALZBO-VXGBXAGGSA-N 2 0 239.363 0.811 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)CC[NH3+] ZINC000423772757 387419835 /nfs/dbraw/zinc/41/98/35/387419835.db2.gz LNQYQQCSCUFICP-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000423778012 387423329 /nfs/dbraw/zinc/42/33/29/387423329.db2.gz SHYPKSZCTXHWTL-NWDGAFQWSA-N 2 0 241.379 0.641 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000516292905 387497398 /nfs/dbraw/zinc/49/73/98/387497398.db2.gz KOFLHDFVHVUGMW-SNVBAGLBSA-N 2 0 248.330 0.582 20 0 BCADRP CCCN(C(=O)CCCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000516463153 387512119 /nfs/dbraw/zinc/51/21/19/387512119.db2.gz SMTCCTGIOUINEO-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP CC[NH+](CC)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000375244734 387518428 /nfs/dbraw/zinc/51/84/28/387518428.db2.gz IAHLMFZSVPIHMJ-ZSBIGDGJSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+](C)C ZINC000086270643 387520187 /nfs/dbraw/zinc/52/01/87/387520187.db2.gz DAZQSNHFXUPYQW-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP CC(C)CCOCC[NH+]1CCC(O)(C[NH3+])CC1 ZINC000396990087 387529208 /nfs/dbraw/zinc/52/92/08/387529208.db2.gz BMUZRWLUJXQMJJ-UHFFFAOYSA-N 2 0 244.379 0.835 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N(C)CC[NH3+] ZINC000424010536 387466754 /nfs/dbraw/zinc/46/67/54/387466754.db2.gz OLTVWKOXCPLTIV-UHFFFAOYSA-N 2 0 201.314 0.169 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424043233 387467817 /nfs/dbraw/zinc/46/78/17/387467817.db2.gz FUJABFKWDAFSEY-WISYIIOYSA-N 2 0 239.363 0.631 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424042246 387468034 /nfs/dbraw/zinc/46/80/34/387468034.db2.gz BENJZGIBOCBDJY-GMTAPVOTSA-N 2 0 227.352 0.761 20 0 BCADRP C[C@@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@@]1(C)C[NH3+] ZINC000516181006 387468555 /nfs/dbraw/zinc/46/85/55/387468555.db2.gz ZDRGBLYTJNAIKY-ZWNOBZJWSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1CCCC[NH2+]1 ZINC000516183017 387468636 /nfs/dbraw/zinc/46/86/36/387468636.db2.gz DXEVEOAMMUCWCN-IVZWLZJFSA-N 2 0 213.325 0.371 20 0 BCADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000114072916 387470580 /nfs/dbraw/zinc/47/05/80/387470580.db2.gz CURNRDSNYPDDFM-LBPRGKRZSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000424045257 387470594 /nfs/dbraw/zinc/47/05/94/387470594.db2.gz MQRHKLIWIGKLJC-SRVKXCTJSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000355059505 387471612 /nfs/dbraw/zinc/47/16/12/387471612.db2.gz MSGLJSYWKYJUJL-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]1C[C@@H](NCC[NH2+]C2CC2)C[N@@H+]1C1CC1 ZINC000643507032 387475503 /nfs/dbraw/zinc/47/55/03/387475503.db2.gz QHDRALUKWTWPNE-CMPLNLGQSA-N 2 0 223.364 0.953 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])c1ccccc1 ZINC000424079673 387480099 /nfs/dbraw/zinc/48/00/99/387480099.db2.gz RMQKWTMUFPLOAW-OUAUKWLOSA-N 2 0 219.288 0.150 20 0 BCADRP CCOC[C@H](O)C[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000362182204 387582831 /nfs/dbraw/zinc/58/28/31/387582831.db2.gz BZJZNMKJNIJSRW-FRRDWIJNSA-N 2 0 244.379 0.798 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000040831328 387584434 /nfs/dbraw/zinc/58/44/34/387584434.db2.gz XGRXEPLRDKFOKA-WDEREUQCSA-N 2 0 229.368 0.816 20 0 BCADRP CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@@H](C)[NH3+] ZINC000375852739 387587843 /nfs/dbraw/zinc/58/78/43/387587843.db2.gz VBWBZBCTJAYUKF-WOPDTQHZSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000375912752 387591910 /nfs/dbraw/zinc/59/19/10/387591910.db2.gz QYUFKTBRTSSEFQ-GRYCIOLGSA-N 2 0 239.363 0.666 20 0 BCADRP O=C(CCn1ccnc1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000375935220 387593904 /nfs/dbraw/zinc/59/39/04/387593904.db2.gz VEORQNLHONWFNW-NEPJUHHUSA-N 2 0 248.330 0.484 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422539390 387596609 /nfs/dbraw/zinc/59/66/09/387596609.db2.gz KGKMBWSUIREEFD-BJDJZHNGSA-N 2 0 241.379 0.674 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000583694910 387600079 /nfs/dbraw/zinc/60/00/79/387600079.db2.gz RSGSSOKJVFDHQJ-UWVGGRQHSA-N 2 0 215.341 0.617 20 0 BCADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@]12C[C@H]1C[NH2+]C2 ZINC000527531557 387603842 /nfs/dbraw/zinc/60/38/42/387603842.db2.gz HNBQKWQYDYTFAD-SDDRHHMPSA-N 2 0 221.348 0.470 20 0 BCADRP CC[NH+](CC)CCNC(=O)NC(C)(C)CC[NH3+] ZINC000422591226 387604359 /nfs/dbraw/zinc/60/43/59/387604359.db2.gz MCDDYKCLZVXWOZ-UHFFFAOYSA-N 2 0 244.383 0.755 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)NC(C)(C)CC[NH3+] ZINC000422604449 387605531 /nfs/dbraw/zinc/60/55/31/387605531.db2.gz BVUZAFVIWYJOQD-SECBINFHSA-N 2 0 230.356 0.269 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000041679542 387606291 /nfs/dbraw/zinc/60/62/91/387606291.db2.gz LISGLRYVXZIVSX-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP CN(CC[NH2+][C@@H]1CCC[C@H]1[NH3+])CC(F)(F)F ZINC000422702245 387618133 /nfs/dbraw/zinc/61/81/33/387618133.db2.gz DPVPSBKRJROYRX-RKDXNWHRSA-N 2 0 239.285 0.950 20 0 BCADRP COC[C@@H](C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422702990 387619323 /nfs/dbraw/zinc/61/93/23/387619323.db2.gz MAFIMCMNCWMFRO-AXFHLTTASA-N 2 0 200.326 0.999 20 0 BCADRP COCC[N@@H+]1CCC[C@@H]1CN[C@H]1CCC[C@H]1[NH3+] ZINC000422712261 387626363 /nfs/dbraw/zinc/62/63/63/387626363.db2.gz NUDKDOZLQUYEDE-UPJWGTAASA-N 2 0 241.379 0.567 20 0 BCADRP C[C@H](O)CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000305688378 387626422 /nfs/dbraw/zinc/62/64/22/387626422.db2.gz QSDGZZGQADSNHY-ZDUSSCGKSA-N 2 0 243.395 0.327 20 0 BCADRP CC[N@H+](CCO)CC[C@@H]1CCC[NH+]1C ZINC000305685277 387627422 /nfs/dbraw/zinc/62/74/22/387627422.db2.gz PPVPSPXXXKCQDL-NSHDSACASA-N 2 0 200.326 0.785 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000376381771 387627465 /nfs/dbraw/zinc/62/74/65/387627465.db2.gz CCYBAPAYHUJRTG-UTUOFQBUSA-N 2 0 239.363 0.762 20 0 BCADRP COC(=O)[C@@H](C)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000375723332 387573036 /nfs/dbraw/zinc/57/30/36/387573036.db2.gz PEULXZVUCNJAJA-GARJFASQSA-N 2 0 226.320 0.289 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000430607020 387632249 /nfs/dbraw/zinc/63/22/49/387632249.db2.gz AZTIWDFLEWIBBJ-WCQYABFASA-N 2 0 249.358 0.967 20 0 BCADRP C[C@@H](C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)[C@H](C)[NH3+] ZINC000430616226 387632575 /nfs/dbraw/zinc/63/25/75/387632575.db2.gz FRLWRSKANHYFLR-VWYCJHECSA-N 2 0 241.379 0.864 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H](C)C[NH3+])cc1 ZINC000430605517 387633017 /nfs/dbraw/zinc/63/30/17/387633017.db2.gz RKQXQCSAQPNOEX-ZYHUDNBSSA-N 2 0 235.331 0.706 20 0 BCADRP C[C@@H]1COCCN1CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422720908 387633216 /nfs/dbraw/zinc/63/32/16/387633216.db2.gz UDJWUTTYZBVBLL-FRRDWIJNSA-N 2 0 241.379 0.424 20 0 BCADRP CCCC[N@H+](CCC1CC[NH2+]CC1)CC(N)=O ZINC000042691492 387633861 /nfs/dbraw/zinc/63/38/61/387633861.db2.gz FZVWIVFOJORUFR-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)[NH+](C)C ZINC000422734823 387642480 /nfs/dbraw/zinc/64/24/80/387642480.db2.gz CZZGNRMMELYPSI-UTUOFQBUSA-N 2 0 213.369 0.914 20 0 BCADRP C[C@H](CNC(=O)C1([NH3+])CC1)[N@@H+]1CCCC[C@@H]1C ZINC000430742264 387647434 /nfs/dbraw/zinc/64/74/34/387647434.db2.gz LESPMRXLXYXVSP-WDEREUQCSA-N 2 0 239.363 0.857 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000430772643 387649698 /nfs/dbraw/zinc/64/96/98/387649698.db2.gz CIDZKZSKHQOCIU-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP CCC[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000422746815 387650543 /nfs/dbraw/zinc/65/05/43/387650543.db2.gz OIVWZNUIRXRZAR-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH3+])C1 ZINC000430795660 387651768 /nfs/dbraw/zinc/65/17/68/387651768.db2.gz WCIRAYJDQUIMRG-NSHDSACASA-N 2 0 227.352 0.526 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000356394254 387653118 /nfs/dbraw/zinc/65/31/18/387653118.db2.gz SLHXBBZLYOCEQQ-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP CCC[C@H](C(=O)NCC[NH2+]CC)[NH+](C)C ZINC000422788726 387655733 /nfs/dbraw/zinc/65/57/33/387655733.db2.gz RHCQPOAIEBVQHY-SNVBAGLBSA-N 2 0 215.341 0.442 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000430901307 387658972 /nfs/dbraw/zinc/65/89/72/387658972.db2.gz UEXFMSQOLDKMQG-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]CC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000430893652 387658984 /nfs/dbraw/zinc/65/89/84/387658984.db2.gz JWHOXBOTPWUPJD-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(Cc2cc[nH]n2)C1 ZINC000125558260 387660080 /nfs/dbraw/zinc/66/00/80/387660080.db2.gz OJKYKZMIEITKDM-JTQLQIEISA-N 2 0 208.309 0.793 20 0 BCADRP C[C@H](CN1CCCC1=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000422762372 387662912 /nfs/dbraw/zinc/66/29/12/387662912.db2.gz NPEBFZKOBVSDQX-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)N1CCOCC1 ZINC000422765960 387664920 /nfs/dbraw/zinc/66/49/20/387664920.db2.gz WOHOQZPSOXIIKS-RYUDHWBXSA-N 2 0 243.395 0.813 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000431025369 387669974 /nfs/dbraw/zinc/66/99/74/387669974.db2.gz YZKCFKPIIMPVKR-FOGDFJRCSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@H](NCC(F)(F)CN)C1CC[NH+](C)CC1 ZINC000643519933 387672309 /nfs/dbraw/zinc/67/23/09/387672309.db2.gz JAHGZQPLOANVLP-VIFPVBQESA-N 2 0 235.322 0.900 20 0 BCADRP CC(C)[C@H](O)CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000422775877 387672962 /nfs/dbraw/zinc/67/29/62/387672962.db2.gz BPRQMRBBPXOSKF-SDDRHHMPSA-N 2 0 214.353 0.981 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000422777188 387675835 /nfs/dbraw/zinc/67/58/35/387675835.db2.gz FQJLDNMVRDCVCW-NEPJUHHUSA-N 2 0 213.369 0.916 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1NCCC[NH+]1CCCC1 ZINC000422781387 387680080 /nfs/dbraw/zinc/68/00/80/387680080.db2.gz ITYJJVHVRXQZTL-VXGBXAGGSA-N 2 0 211.353 0.942 20 0 BCADRP C[NH+](C)CCCN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422743141 387688797 /nfs/dbraw/zinc/68/87/97/387688797.db2.gz HZRHXBWSIYJMEF-QWHCGFSZSA-N 2 0 241.379 0.295 20 0 BCADRP CC[NH+](CC)CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422744801 387693812 /nfs/dbraw/zinc/69/38/12/387693812.db2.gz KVRGBBLGFMLRSB-NEPJUHHUSA-N 2 0 213.369 0.916 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000377749615 387745574 /nfs/dbraw/zinc/74/55/74/387745574.db2.gz WNAIHSWHWKSMEN-AXFHLTTASA-N 2 0 225.336 0.182 20 0 BCADRP CC1CC[NH+](CC(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000422865272 387746364 /nfs/dbraw/zinc/74/63/64/387746364.db2.gz XMERCTKAHLHPDQ-LBPRGKRZSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000377810641 387749476 /nfs/dbraw/zinc/74/94/76/387749476.db2.gz CPXXBLVDOCFUPG-AXFHLTTASA-N 2 0 225.336 0.038 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000377810644 387750145 /nfs/dbraw/zinc/75/01/45/387750145.db2.gz CPXXBLVDOCFUPG-VWYCJHECSA-N 2 0 225.336 0.038 20 0 BCADRP CC[N@H+](CCN[C@H]1CCC[C@H]1[NH3+])C1CC1 ZINC000422875910 387752906 /nfs/dbraw/zinc/75/29/06/387752906.db2.gz DKYISKXJWZSAJT-NEPJUHHUSA-N 2 0 211.353 0.940 20 0 BCADRP O=C(C1C[NH2+]C1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000367811726 387754140 /nfs/dbraw/zinc/75/41/40/387754140.db2.gz VJVQCEKBSSDBPS-AVGNSLFASA-N 2 0 249.358 0.149 20 0 BCADRP CC[C@H]([NH2+]CCCNC(C)=O)[C@@H]1CCC[NH2+]1 ZINC000422802295 387702090 /nfs/dbraw/zinc/70/20/90/387702090.db2.gz HBGDWNOXWUROJF-RYUDHWBXSA-N 2 0 227.352 0.633 20 0 BCADRP CC1(C(=O)NC[C@H]([NH3+])c2ccccc2)C[NH2+]C1 ZINC000422808039 387706324 /nfs/dbraw/zinc/70/63/24/387706324.db2.gz PWHATHKDDNCUJP-NSHDSACASA-N 2 0 233.315 0.412 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000629613831 387713184 /nfs/dbraw/zinc/71/31/84/387713184.db2.gz UBBVGHIJGSEMAL-OUAUKWLOSA-N 2 0 227.352 0.583 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000629613829 387713205 /nfs/dbraw/zinc/71/32/05/387713205.db2.gz UBBVGHIJGSEMAL-GMTAPVOTSA-N 2 0 227.352 0.583 20 0 BCADRP C[NH+](C/C=C\C[N@H+](C)CCCO)CCCO ZINC000440955774 387717790 /nfs/dbraw/zinc/71/77/90/387717790.db2.gz YECRMHMVODMPJQ-ARJAWSKDSA-N 2 0 230.352 0.171 20 0 BCADRP CCC[C@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[NH+](C)C ZINC000422820379 387718015 /nfs/dbraw/zinc/71/80/15/387718015.db2.gz QGTOLAODEUSQAR-GRYCIOLGSA-N 2 0 241.379 0.926 20 0 BCADRP C[NH+](C)[C@]1(CN[C@H]2CCC[C@@H]2[NH3+])CCSC1 ZINC000422828083 387722707 /nfs/dbraw/zinc/72/27/07/387722707.db2.gz SSDFZLGQSLSLBZ-SRVKXCTJSA-N 2 0 243.420 0.893 20 0 BCADRP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[NH2+]1 ZINC000422834069 387726729 /nfs/dbraw/zinc/72/67/29/387726729.db2.gz HJPMIYASDKUJOJ-JTQLQIEISA-N 2 0 248.330 0.582 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H]([NH3+])C(C)C)[NH+](C)C ZINC000157074919 387726883 /nfs/dbraw/zinc/72/68/83/387726883.db2.gz PQEHNSGYEGYAFQ-GHMZBOCLSA-N 2 0 229.368 0.672 20 0 BCADRP CC1(C(=O)N[C@@H](C[NH3+])C2CCCCC2)C[NH2+]C1 ZINC000422844908 387727038 /nfs/dbraw/zinc/72/70/38/387727038.db2.gz NCKMRQVXWLMSMW-NSHDSACASA-N 2 0 239.363 0.620 20 0 BCADRP COCC[N@H+](C)CCCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422840737 387732811 /nfs/dbraw/zinc/73/28/11/387732811.db2.gz CAFYVSAESPHKPC-VXGBXAGGSA-N 2 0 231.384 0.670 20 0 BCADRP COCC[N@H+](C)CCCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422841396 387732988 /nfs/dbraw/zinc/73/29/88/387732988.db2.gz CWOQYDVKLSURRM-QWHCGFSZSA-N 2 0 243.395 0.672 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCO2)CC[N@@H+]1C ZINC000128063941 387733815 /nfs/dbraw/zinc/73/38/15/387733815.db2.gz XZMRGPZWUMIJBC-JHJVBQTASA-N 2 0 241.379 0.389 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424142532 387734889 /nfs/dbraw/zinc/73/48/89/387734889.db2.gz YKHXNEBCUBMROU-ZRUFSTJUSA-N 2 0 223.320 0.077 20 0 BCADRP CC[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000128123064 387736876 /nfs/dbraw/zinc/73/68/76/387736876.db2.gz IFSBFPZPGZIWMU-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000367648386 387738285 /nfs/dbraw/zinc/73/82/85/387738285.db2.gz HVZRLRIFELEIFD-VIFPVBQESA-N 2 0 233.315 0.501 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000367652408 387739211 /nfs/dbraw/zinc/73/92/11/387739211.db2.gz DBAGOHWOSZXFDL-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP COCCN1CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422889761 387762442 /nfs/dbraw/zinc/76/24/42/387762442.db2.gz QNANXEQWYFAIFJ-QWHCGFSZSA-N 2 0 243.395 0.814 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000129188605 387763502 /nfs/dbraw/zinc/76/35/02/387763502.db2.gz FCBNUSGAMKPGOA-UWVGGRQHSA-N 2 0 227.352 0.298 20 0 BCADRP COCC[N@@H+]1CC[C@H](N[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422892905 387763675 /nfs/dbraw/zinc/76/36/75/387763675.db2.gz ZSDWLCWJDGTOBS-RWMBFGLXSA-N 2 0 241.379 0.437 20 0 BCADRP COc1cccc(C[C@@H](C)[NH2+]C[C@@H](C)[NH3+])n1 ZINC000643527389 387765604 /nfs/dbraw/zinc/76/56/04/387765604.db2.gz LZGXUXKMSOIGAD-NXEZZACHSA-N 2 0 223.320 0.958 20 0 BCADRP COCCN(C)CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422912880 387771739 /nfs/dbraw/zinc/77/17/39/387771739.db2.gz XFUKMAGYOADBTD-OLZOCXBDSA-N 2 0 243.395 0.814 20 0 BCADRP COCCN(C)CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422912879 387772096 /nfs/dbraw/zinc/77/20/96/387772096.db2.gz XFUKMAGYOADBTD-CHWSQXEVSA-N 2 0 243.395 0.814 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000441626496 387772697 /nfs/dbraw/zinc/77/26/97/387772697.db2.gz YAGYLEPMJVENMY-KKOKHZNYSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)C1C[NH2+]C1 ZINC000422922080 387777359 /nfs/dbraw/zinc/77/73/59/387777359.db2.gz RXHOCWPONVTDFF-GXSJLCMTSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000422925111 387778104 /nfs/dbraw/zinc/77/81/04/387778104.db2.gz ZQYPNJBWYFFVJJ-WDEREUQCSA-N 2 0 239.363 0.857 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000157274186 387778553 /nfs/dbraw/zinc/77/85/53/387778553.db2.gz VXSRHWAEVHNBIY-NXEZZACHSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000422925212 387779547 /nfs/dbraw/zinc/77/95/47/387779547.db2.gz ZWQMWYRUUKJMJO-NGDQXYMTSA-N 2 0 239.363 0.711 20 0 BCADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](C)C)C1 ZINC000564049965 387812434 /nfs/dbraw/zinc/81/24/34/387812434.db2.gz VSZQAJWBWPZACB-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP CC(C)NC(=O)CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422948054 387782311 /nfs/dbraw/zinc/78/23/11/387782311.db2.gz ZIAQJPMIHLHRJZ-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@H](O)[C@@H]2CCCO2)CC1 ZINC000527949198 387783566 /nfs/dbraw/zinc/78/35/66/387783566.db2.gz FYQFUQMHKBUTOO-STQMWFEESA-N 2 0 242.363 0.600 20 0 BCADRP CC[C@@H]([NH2+]C[C@H](C)CO)[C@@H]1CCC[NH2+]1 ZINC000422978561 387789180 /nfs/dbraw/zinc/78/91/80/387789180.db2.gz ZPNBSJVWEZLUGV-AXFHLTTASA-N 2 0 200.326 0.735 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000193614789 387797132 /nfs/dbraw/zinc/79/71/32/387797132.db2.gz OJERVBQZKOTCDI-DCAQKATOSA-N 2 0 225.336 0.385 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1C[C@@H]1[NH3+])C(C)C ZINC000424152818 387799862 /nfs/dbraw/zinc/79/98/62/387799862.db2.gz JAHLMJWPLRLBRG-ZJUUUORDSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)[NH+](C)C ZINC000432534030 387800077 /nfs/dbraw/zinc/80/00/77/387800077.db2.gz BNSAPEQLJIOMHQ-SRVKXCTJSA-N 2 0 241.379 0.687 20 0 BCADRP C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)C1C[NH2+]C1 ZINC000422992517 387800923 /nfs/dbraw/zinc/80/09/23/387800923.db2.gz CUVBFSVVSJPAQN-GXSJLCMTSA-N 2 0 214.353 0.981 20 0 BCADRP CC(C)(C[NH3+])NC(=O)NCC1([NH3+])CCCCC1 ZINC000418301668 387805023 /nfs/dbraw/zinc/80/50/23/387805023.db2.gz YXJWYNZWLYLSTB-UHFFFAOYSA-N 2 0 242.367 0.685 20 0 BCADRP COC[C@@]1(C[NH2+][C@@H](C)CCCCO)CCC[NH2+]1 ZINC000643531969 387810138 /nfs/dbraw/zinc/81/01/38/387810138.db2.gz JYOBEALBNGQISI-STQMWFEESA-N 2 0 244.379 0.896 20 0 BCADRP C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000422971116 387821840 /nfs/dbraw/zinc/82/18/40/387821840.db2.gz HXHAOVWFPPWLGW-JHJVBQTASA-N 2 0 241.379 0.173 20 0 BCADRP C[C@H](NC[C@H](O)C[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422973251 387821858 /nfs/dbraw/zinc/82/18/58/387821858.db2.gz BONYSBUMJWHZMV-SRVKXCTJSA-N 2 0 229.368 0.029 20 0 BCADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H](C)CO ZINC000422972996 387821923 /nfs/dbraw/zinc/82/19/23/387821923.db2.gz NKOHLSXJTRPROM-NQBHXWOUSA-N 2 0 222.332 0.915 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000442711695 387826117 /nfs/dbraw/zinc/82/61/17/387826117.db2.gz FEMLAZJQVNIQEZ-VWYCJHECSA-N 2 0 227.352 0.748 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCC[NH2+]C)C[C@H]1C ZINC000418324177 387830142 /nfs/dbraw/zinc/83/01/42/387830142.db2.gz HGXBTCBCRMQIKL-MNOVXSKESA-N 2 0 242.367 0.330 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1COC1 ZINC000528026865 387831745 /nfs/dbraw/zinc/83/17/45/387831745.db2.gz REUAJOCJXHCRLE-JFGNBEQYSA-N 2 0 212.337 0.951 20 0 BCADRP CC(C)C[C@H]([NH3+])c1noc(COC2C[NH2+]C2)n1 ZINC000442743075 387832624 /nfs/dbraw/zinc/83/26/24/387832624.db2.gz DTFQVEBTUHFFPC-VIFPVBQESA-N 2 0 240.307 0.604 20 0 BCADRP CC(C)N1CC[C@H]([N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)C1=O ZINC000442792519 387840773 /nfs/dbraw/zinc/84/07/73/387840773.db2.gz QHVSIVAYKQVARA-SRVKXCTJSA-N 2 0 239.363 0.665 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000070502767 387841177 /nfs/dbraw/zinc/84/11/77/387841177.db2.gz JQUFIXBPFBQGJB-GHMZBOCLSA-N 2 0 225.336 0.326 20 0 BCADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC000061757180 387844976 /nfs/dbraw/zinc/84/49/76/387844976.db2.gz LCINBMZFXDTBRU-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C[NH+](C)C ZINC000442821607 387848030 /nfs/dbraw/zinc/84/80/30/387848030.db2.gz NBJSWTAGFXAQQI-LLVKDONJSA-N 2 0 241.379 0.737 20 0 BCADRP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000643533572 387848327 /nfs/dbraw/zinc/84/83/27/387848327.db2.gz RUDLMTDLINQTHZ-JCIQBVFBSA-N 2 0 210.321 0.751 20 0 BCADRP C[C@H]1[C@H](NC2CC[NH2+]CC2)CCC[N@@H+]1C ZINC000423036410 387851326 /nfs/dbraw/zinc/85/13/26/387851326.db2.gz TZOWDYWYQQUECS-CMPLNLGQSA-N 2 0 211.353 0.811 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000433157326 387874062 /nfs/dbraw/zinc/87/40/62/387874062.db2.gz FPLGBNRNFDGJOF-NEPJUHHUSA-N 2 0 241.379 0.674 20 0 BCADRP CC1=CC[N@H+](CCN[C@@H](C)C2C[NH2+]C2)CC1 ZINC000423041899 387856163 /nfs/dbraw/zinc/85/61/63/387856163.db2.gz YBEWBIQPPVUBSC-LBPRGKRZSA-N 2 0 223.364 0.836 20 0 BCADRP CC(C)NC(=O)CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193613772 387857639 /nfs/dbraw/zinc/85/76/39/387857639.db2.gz BSBVKQVJZWYBPT-TXEJJXNPSA-N 2 0 239.363 0.395 20 0 BCADRP C[N@H+]1C[C@H]2CN(CC(=O)NC(C)(C)C)C[C@H]2C1 ZINC000193651447 387860347 /nfs/dbraw/zinc/86/03/47/387860347.db2.gz YIJYLPMHDJXVBA-PHIMTYICSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@H]1CCNCC1(F)F ZINC000424172276 387864188 /nfs/dbraw/zinc/86/41/88/387864188.db2.gz LLWKTJRRKZJYEN-HTQZYQBOSA-N 2 0 235.278 0.085 20 0 BCADRP C[NH+](C)C1(CN[C@@H]2CCC[C@@H]2[NH3+])CCC1 ZINC000423057674 387864836 /nfs/dbraw/zinc/86/48/36/387864836.db2.gz HVQDPAMVTMEUKK-WDEREUQCSA-N 2 0 211.353 0.940 20 0 BCADRP C[C@@H](N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000643536242 387867212 /nfs/dbraw/zinc/86/72/12/387867212.db2.gz OZYMGANMVXZUOY-WOPDTQHZSA-N 2 0 223.364 0.859 20 0 BCADRP C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCC[NH2+]1 ZINC000643536236 387867691 /nfs/dbraw/zinc/86/76/91/387867691.db2.gz OZYMGANMVXZUOY-IJLUTSLNSA-N 2 0 223.364 0.859 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537372 387874667 /nfs/dbraw/zinc/87/46/67/387874667.db2.gz GGAHJMNPXJNKJY-VPOLOUISSA-N 2 0 215.316 0.226 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423065173 387868300 /nfs/dbraw/zinc/86/83/00/387868300.db2.gz AXEZJJDORZBODG-OLZOCXBDSA-N 3 0 243.395 0.814 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000433131744 387869444 /nfs/dbraw/zinc/86/94/44/387869444.db2.gz KZOXZFKKZQZPLM-AAEUAGOBSA-N 2 0 241.379 0.723 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000433144575 387871409 /nfs/dbraw/zinc/87/14/09/387871409.db2.gz NAHSEIIPDTVUOB-DCAQKATOSA-N 2 0 227.352 0.332 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000433144577 387871545 /nfs/dbraw/zinc/87/15/45/387871545.db2.gz NAHSEIIPDTVUOB-GARJFASQSA-N 2 0 227.352 0.332 20 0 BCADRP C[C@@H](N)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000442659113 387814258 /nfs/dbraw/zinc/81/42/58/387814258.db2.gz KIFSBHQEBKEIOP-NEPJUHHUSA-N 2 0 243.395 0.358 20 0 BCADRP C[C@@H]([NH3+])CN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000442656084 387814534 /nfs/dbraw/zinc/81/45/34/387814534.db2.gz DLVYBSPEKWZWSI-VXGBXAGGSA-N 2 0 249.362 0.724 20 0 BCADRP CC[C@H]1CN(C[C@H](C)[NH3+])CC[N@@H+]1CCOC ZINC000442654355 387814885 /nfs/dbraw/zinc/81/48/85/387814885.db2.gz BFIHYMWILKSGTA-RYUDHWBXSA-N 2 0 229.368 0.376 20 0 BCADRP CCNC(=O)C(C)(C)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422964844 387814994 /nfs/dbraw/zinc/81/49/94/387814994.db2.gz JWRDJOIHXLSYDY-QWRGUYRKSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@@H]1CN(C[C@@H](C)[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000442654291 387815136 /nfs/dbraw/zinc/81/51/36/387815136.db2.gz AYDFZLNEGSLGPZ-IJLUTSLNSA-N 2 0 229.368 0.111 20 0 BCADRP CC[C@@H]([NH2+]CC(C)(C)C(N)=O)[C@@H]1CCC[NH2+]1 ZINC000422966268 387816104 /nfs/dbraw/zinc/81/61/04/387816104.db2.gz NGAAIZKOMQKTOD-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]([NH3+])CN(CCC(N)=O)Cc1ccccc1 ZINC000442666495 387819307 /nfs/dbraw/zinc/81/93/07/387819307.db2.gz VCOGAQWOAUSVFS-LLVKDONJSA-N 2 0 235.331 0.711 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000444645123 387894223 /nfs/dbraw/zinc/89/42/23/387894223.db2.gz XCPWKGNXRJEFDH-STQMWFEESA-N 2 0 244.379 0.657 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538400 387876156 /nfs/dbraw/zinc/87/61/56/387876156.db2.gz JIXYQSHESIDSTG-BJDJZHNGSA-N 2 0 229.343 0.794 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645856744 387876256 /nfs/dbraw/zinc/87/62/56/387876256.db2.gz VIRODVOKKLPNGE-SNVBAGLBSA-N 2 0 227.352 0.441 20 0 BCADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(=O)n1C ZINC000423086560 387880067 /nfs/dbraw/zinc/88/00/67/387880067.db2.gz MDHNMPVKEBBUBO-WCQYABFASA-N 2 0 249.358 0.911 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]1[NH2+]CC1(C)C)C1CC1 ZINC000645745884 387882872 /nfs/dbraw/zinc/88/28/72/387882872.db2.gz UFUHYSQVJAAULN-JTQLQIEISA-N 2 0 225.336 0.195 20 0 BCADRP OCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157939758 387885656 /nfs/dbraw/zinc/88/56/56/387885656.db2.gz RHWNFUPQQNRWHW-NWDGAFQWSA-N 2 0 212.337 0.975 20 0 BCADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000423100268 387886953 /nfs/dbraw/zinc/88/69/53/387886953.db2.gz UZHYGJWXIURFPS-NWDGAFQWSA-N 2 0 209.337 0.718 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000423100267 387887339 /nfs/dbraw/zinc/88/73/39/387887339.db2.gz UZHYGJWXIURFPS-NEPJUHHUSA-N 2 0 209.337 0.718 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)NCCC[NH3+] ZINC000418347673 387919032 /nfs/dbraw/zinc/91/90/32/387919032.db2.gz ISQANMOHCXXCTM-UHFFFAOYSA-N 2 0 230.356 0.318 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH3+])C1)[NH+](C)C ZINC000236710727 387906064 /nfs/dbraw/zinc/90/60/64/387906064.db2.gz QYGIULZZLMPCDX-UWVGGRQHSA-N 2 0 213.325 0.132 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)CC1CC[NH2+]CC1 ZINC000236832910 387907278 /nfs/dbraw/zinc/90/72/78/387907278.db2.gz DAVHMAKBLRDTTJ-GFCCVEGCSA-N 2 0 241.379 0.866 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000423131533 387908988 /nfs/dbraw/zinc/90/89/88/387908988.db2.gz OBONBMMTLOZYBT-RNJOBUHISA-N 2 0 242.363 0.633 20 0 BCADRP C[C@H]([NH2+]C[C@@H](CO)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423134736 387911385 /nfs/dbraw/zinc/91/13/85/387911385.db2.gz FCBXHOUYAAVWBX-ZMLRMANQSA-N 2 0 212.337 0.735 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236913918 387913079 /nfs/dbraw/zinc/91/30/79/387913079.db2.gz LVWWEKPFXDFGLK-ARHMULMVSA-N 2 0 239.363 0.759 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH2+]CC1 ZINC000237865164 387929474 /nfs/dbraw/zinc/92/94/74/387929474.db2.gz SIFCTEJVKAJDIQ-RYUDHWBXSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+][C@H](C(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000238032065 387930586 /nfs/dbraw/zinc/93/05/86/387930586.db2.gz AIFUPRAHAZPEPW-NEPJUHHUSA-N 2 0 233.315 0.555 20 0 BCADRP [NH3+]C[C@@H](NC(=O)CC1CC[NH2+]CC1)C1CC1 ZINC000238052397 387930743 /nfs/dbraw/zinc/93/07/43/387930743.db2.gz YASRRTPYKLSJFK-LLVKDONJSA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424217837 387934210 /nfs/dbraw/zinc/93/42/10/387934210.db2.gz OMOYBRWXJFFTQH-GMTAPVOTSA-N 2 0 227.352 0.603 20 0 BCADRP COC[C@](C)(O)CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423145559 387922000 /nfs/dbraw/zinc/92/20/00/387922000.db2.gz LHCVAPUITFHZBY-RWMBFGLXSA-N 2 0 244.379 0.881 20 0 BCADRP CCN1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000423146502 387922401 /nfs/dbraw/zinc/92/24/01/387922401.db2.gz AOPDOHLXOQARBB-MBYGNEARSA-N 2 0 237.347 0.480 20 0 BCADRP CCC[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)OC ZINC000423147633 387924738 /nfs/dbraw/zinc/92/47/38/387924738.db2.gz SLUWTVYPUMNGHQ-KOLCDFICSA-N 2 0 200.326 0.999 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H]2CC[NH2+]C2)CCCCC1 ZINC000237833353 387928745 /nfs/dbraw/zinc/92/87/45/387928745.db2.gz NRYWKSBTPMKEJU-JTQLQIEISA-N 2 0 225.336 0.374 20 0 BCADRP C[C@@H]1CC2(C[N@@H+]1Cc1ncnn1C)CC[NH2+]CC2 ZINC000424288042 387952930 /nfs/dbraw/zinc/95/29/30/387952930.db2.gz JVIFNXLDRJVHTF-LLVKDONJSA-N 2 0 249.362 0.779 20 0 BCADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000245512724 387953992 /nfs/dbraw/zinc/95/39/92/387953992.db2.gz ARZUJHBUGDKXMT-JHJVBQTASA-N 2 0 242.363 0.410 20 0 BCADRP [NH3+]CCCN(CC[NH3+])Cc1ccccc1 ZINC000238565233 387941000 /nfs/dbraw/zinc/94/10/00/387941000.db2.gz PGQATPOMLRNECR-UHFFFAOYSA-N 2 0 207.321 0.796 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CCN1CC=CCC1 ZINC000392233460 387941735 /nfs/dbraw/zinc/94/17/35/387941735.db2.gz CGRHURSTZGYYEG-ZDUSSCGKSA-N 2 0 241.379 0.592 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726688 387942424 /nfs/dbraw/zinc/94/24/24/387942424.db2.gz DBBJGEUQUUHWJV-SCVCMEIPSA-N 2 0 239.363 0.713 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000309623124 387942658 /nfs/dbraw/zinc/94/26/58/387942658.db2.gz IDYPAZJOSUSYBJ-GXSJLCMTSA-N 2 0 213.325 0.100 20 0 BCADRP COCC[N@H+](C)CCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000156222672 387943402 /nfs/dbraw/zinc/94/34/02/387943402.db2.gz RKWKSVBYEUNOLE-CHWSQXEVSA-N 2 0 243.395 0.637 20 0 BCADRP CCO[C@H]1C[C@@H]([NH2+][C@H](CCC[NH3+])COC)C1 ZINC000423161270 387944481 /nfs/dbraw/zinc/94/44/81/387944481.db2.gz INXFLZFXWMCKIV-UTUOFQBUSA-N 2 0 230.352 0.897 20 0 BCADRP C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)[C@@H]1CCC[NH2+]1 ZINC000423164730 387948647 /nfs/dbraw/zinc/94/86/47/387948647.db2.gz PAWNATJIAWMJSO-NOOOWODRSA-N 2 0 212.337 0.878 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)C2C[NH2+]C2)C[C@H]1C[NH3+] ZINC000424277771 387950749 /nfs/dbraw/zinc/95/07/49/387950749.db2.gz DBTVRCGSSJXPCC-KXUCPTDWSA-N 2 0 225.336 0.038 20 0 BCADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(N)=[NH2+] ZINC000158602085 387959455 /nfs/dbraw/zinc/95/94/55/387959455.db2.gz OXCPHJQEJAXDRE-SNVBAGLBSA-N 2 0 212.341 0.980 20 0 BCADRP C[C@@H](NCCCN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000423176038 387961957 /nfs/dbraw/zinc/96/19/57/387961957.db2.gz BQEYFYDKYKEDSN-OLZOCXBDSA-N 2 0 240.395 0.012 20 0 BCADRP C[C@H]([NH3+])CN1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424295889 387956733 /nfs/dbraw/zinc/95/67/33/387956733.db2.gz RNXVGWZJMDFPCX-JTQLQIEISA-N 3 0 249.362 0.470 20 0 BCADRP COCC[N@@H+]1CC[C@@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000423196951 387981411 /nfs/dbraw/zinc/98/14/11/387981411.db2.gz XAAPJVBOPYMSQY-VXGBXAGGSA-N 2 0 227.352 0.049 20 0 BCADRP C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000423190087 387975335 /nfs/dbraw/zinc/97/53/35/387975335.db2.gz NKGPZKOINXECST-UTUOFQBUSA-N 2 0 223.364 0.953 20 0 BCADRP C[C@@H]1C[C@H](N[C@H]2CCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000423190088 387976152 /nfs/dbraw/zinc/97/61/52/387976152.db2.gz NKGPZKOINXECST-WOPDTQHZSA-N 2 0 223.364 0.953 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000423192617 387977389 /nfs/dbraw/zinc/97/73/89/387977389.db2.gz PVKGBIJJVHFCRU-GRYCIOLGSA-N 2 0 211.353 0.716 20 0 BCADRP CN1CC[C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)CC1=O ZINC000424368331 387991632 /nfs/dbraw/zinc/99/16/32/387991632.db2.gz BACQURBKCCEIQS-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)[C@H]1CC1(C)C ZINC000423209758 387993566 /nfs/dbraw/zinc/99/35/66/387993566.db2.gz VMCFJICHTUBGAU-VXGBXAGGSA-N 2 0 225.380 0.916 20 0 BCADRP Cc1ccncc1[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423207857 387993920 /nfs/dbraw/zinc/99/39/20/387993920.db2.gz SINCLFYGJKFCQJ-ZDUSSCGKSA-N 2 0 248.374 0.946 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000423196998 387982146 /nfs/dbraw/zinc/98/21/46/387982146.db2.gz XENIDKKPRFSLPM-NTZNESFSSA-N 2 0 223.364 0.811 20 0 BCADRP Cc1cncc([C@H](C)[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000423211047 387995819 /nfs/dbraw/zinc/99/58/19/387995819.db2.gz XTLCVEBRIVBADC-ZDUSSCGKSA-N 2 0 248.374 0.946 20 0 BCADRP C[N@H+](C[C@@H]1CCOC1)CC(C)(C)C[NH3+] ZINC000086637602 135092202 /nfs/dbraw/zinc/09/22/02/135092202.db2.gz LZEZANKEDGITEL-JTQLQIEISA-N 2 0 200.326 0.940 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000309660628 388002638 /nfs/dbraw/zinc/00/26/38/388002638.db2.gz ATUSHUWRFKWVQX-NXEZZACHSA-N 2 0 213.325 0.039 20 0 BCADRP [NH3+]CCCC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889464 388006755 /nfs/dbraw/zinc/00/67/55/388006755.db2.gz KGTQZNDNGQMAOV-UHFFFAOYSA-N 2 0 245.286 0.945 20 0 BCADRP C[NH2+]CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000423242930 388025603 /nfs/dbraw/zinc/02/56/03/388025603.db2.gz JQDKHFOXHBEUNR-UTUOFQBUSA-N 2 0 211.353 0.668 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1CCC[NH2+]1 ZINC000423230014 388015876 /nfs/dbraw/zinc/01/58/76/388015876.db2.gz CNPRRNLUVMKDRB-QJPTWQEYSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC[NH2+]C1 ZINC000446363885 388016224 /nfs/dbraw/zinc/01/62/24/388016224.db2.gz QRVWWBVCEYQBPX-SRVKXCTJSA-N 2 0 237.347 0.291 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000446370640 388016689 /nfs/dbraw/zinc/01/66/89/388016689.db2.gz BAIDJJLIILDQKN-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC[N@@H+]1C ZINC000446369197 388016760 /nfs/dbraw/zinc/01/67/60/388016760.db2.gz LMWJXAJYGOEMGQ-XWLWVQCSSA-N 2 0 243.326 0.285 20 0 BCADRP C[C@H]1C[C@@H](N(C)C(=O)[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000446374968 388016792 /nfs/dbraw/zinc/01/67/92/388016792.db2.gz RVEFRBQVHMUWCM-SRVKXCTJSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCC[NH2+]1 ZINC000423232282 388017185 /nfs/dbraw/zinc/01/71/85/388017185.db2.gz IBIWTWUUVBEEBD-WOPDTQHZSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000446374120 388017327 /nfs/dbraw/zinc/01/73/27/388017327.db2.gz FKNVQCUKBXYISZ-GARJFASQSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC[N@@H+]1C ZINC000446369195 388017374 /nfs/dbraw/zinc/01/73/74/388017374.db2.gz LMWJXAJYGOEMGQ-UKKRHICBSA-N 2 0 243.326 0.285 20 0 BCADRP [NH3+]CCCC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000082257057 388019264 /nfs/dbraw/zinc/01/92/64/388019264.db2.gz DZNFTLWTMFCXAN-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000082257311 388019302 /nfs/dbraw/zinc/01/93/02/388019302.db2.gz GCSYDVDWLNKTOC-VHSXEESVSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000082257314 388019707 /nfs/dbraw/zinc/01/97/07/388019707.db2.gz GCSYDVDWLNKTOC-ZJUUUORDSA-N 2 0 225.336 0.467 20 0 BCADRP COCC[N@@H+]1CC[C@H](N[C@H](C[NH3+])CC(C)C)C1 ZINC000423257923 388037965 /nfs/dbraw/zinc/03/79/65/388037965.db2.gz ASNHBGLNSFKRTQ-STQMWFEESA-N 2 0 243.395 0.670 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423258241 388038973 /nfs/dbraw/zinc/03/89/73/388038973.db2.gz LVIMEVUCVWIXEX-AGIUHOORSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000423244860 388028838 /nfs/dbraw/zinc/02/88/38/388028838.db2.gz XWMOPMZQAUYLGW-UTUOFQBUSA-N 2 0 223.364 0.953 20 0 BCADRP COC(=O)CC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000156754388 388030830 /nfs/dbraw/zinc/03/08/30/388030830.db2.gz ZJOPYCOHLVZWSX-JTQLQIEISA-N 2 0 216.325 0.855 20 0 BCADRP C[NH2+]C[C@@H](C)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423274573 388055521 /nfs/dbraw/zinc/05/55/21/388055521.db2.gz MBOQGGIPACBTMR-UTUOFQBUSA-N 2 0 213.369 0.962 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000453370174 388055744 /nfs/dbraw/zinc/05/57/44/388055744.db2.gz QPNJGTHSBWJSDV-PZWNZHSQSA-N 2 0 212.337 0.828 20 0 BCADRP CC(C)[NH+](CCNC(=O)C1([NH3+])CC1)C(C)C ZINC000083833775 388063557 /nfs/dbraw/zinc/06/35/57/388063557.db2.gz YXGZYXVCOGBIBQ-UHFFFAOYSA-N 2 0 227.352 0.713 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000083836047 388063709 /nfs/dbraw/zinc/06/37/09/388063709.db2.gz NGLUZCGHCSHHJB-JTQLQIEISA-N 2 0 223.320 0.174 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000083903356 388064618 /nfs/dbraw/zinc/06/46/18/388064618.db2.gz DNXFMMHENCIWTO-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C[NH3+])C1 ZINC000083903354 388065108 /nfs/dbraw/zinc/06/51/08/388065108.db2.gz GVXKFRBUDKVILR-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]([NH3+])CC(F)F ZINC000336657372 388067711 /nfs/dbraw/zinc/06/77/11/388067711.db2.gz LVRQCRCGKXJJCR-JGVFFNPUSA-N 2 0 237.294 0.425 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000447438084 388072337 /nfs/dbraw/zinc/07/23/37/388072337.db2.gz FTXMYCIJHUQGMJ-GXFFZTMASA-N 2 0 235.331 0.714 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000447438085 388072600 /nfs/dbraw/zinc/07/26/00/388072600.db2.gz FTXMYCIJHUQGMJ-MFKMUULPSA-N 2 0 235.331 0.714 20 0 BCADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@@]2(C)CCC(=O)N2)C1 ZINC000453405148 388075155 /nfs/dbraw/zinc/07/51/55/388075155.db2.gz DXYVKVOCVSIXGW-DMDPSCGWSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(Cc2cncn2C)C1 ZINC000085170748 388084388 /nfs/dbraw/zinc/08/43/88/388084388.db2.gz FYCURJQDJAFMDK-NSHDSACASA-N 2 0 222.336 0.852 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423266603 388045770 /nfs/dbraw/zinc/04/57/70/388045770.db2.gz DKPLJLZOLLJIPQ-TUAOUCFPSA-N 3 0 213.369 0.820 20 0 BCADRP C[C@@H]1CSC[C@H]1[NH2+]C[C@]1(O)CCN(C)C1 ZINC000449242264 388160902 /nfs/dbraw/zinc/16/09/02/388160902.db2.gz DZLBVCGJRXAJSM-GMTAPVOTSA-N 2 0 230.377 0.394 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000646185812 388161122 /nfs/dbraw/zinc/16/11/22/388161122.db2.gz KJLRIYRAYGYGDL-DCAQKATOSA-N 2 0 242.367 0.506 20 0 BCADRP C[N@H+](CC1CC[NH2+]CC1)C1(C(N)=O)CCCC1 ZINC000455652265 388165305 /nfs/dbraw/zinc/16/53/05/388165305.db2.gz HNLIQCGQMMLKPB-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NCC2([NH3+])CCC2)o1 ZINC000646303739 388187909 /nfs/dbraw/zinc/18/79/09/388187909.db2.gz CLMWWDNFSWBBMF-UHFFFAOYSA-N 2 0 223.276 0.350 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000646216660 388167082 /nfs/dbraw/zinc/16/70/82/388167082.db2.gz MJLGECRWFAIXHC-GWOFURMSSA-N 2 0 242.367 0.681 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCC(C)([NH3+])CC1 ZINC000646216813 388167239 /nfs/dbraw/zinc/16/72/39/388167239.db2.gz YGCCBCZXJILEDX-ZJUUUORDSA-N 2 0 242.367 0.635 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCC(C)([NH3+])CC1 ZINC000646216810 388167267 /nfs/dbraw/zinc/16/72/67/388167267.db2.gz YGCCBCZXJILEDX-NXEZZACHSA-N 2 0 242.367 0.635 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CC(C)(C)[NH3+] ZINC000646222568 388167806 /nfs/dbraw/zinc/16/78/06/388167806.db2.gz JGZAJBDQCINXRV-KOLCDFICSA-N 2 0 239.363 0.713 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000449379252 388188226 /nfs/dbraw/zinc/18/82/26/388188226.db2.gz ZYKMFVOSRVILBX-WPRPVWTQSA-N 2 0 213.325 0.228 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000449326975 388173384 /nfs/dbraw/zinc/17/33/84/388173384.db2.gz ATSRGPJQTLQFRI-JQWIXIFHSA-N 2 0 241.379 0.831 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449379702 388188374 /nfs/dbraw/zinc/18/83/74/388188374.db2.gz JQKDMVNFDQEOJV-PWSUYJOCSA-N 2 0 239.363 0.727 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)CC(C)(C)[NH3+])[C@H]2C1 ZINC000646297375 388178269 /nfs/dbraw/zinc/17/82/69/388178269.db2.gz DRFSKJCLNPIYMX-QWRGUYRKSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000646297882 388178346 /nfs/dbraw/zinc/17/83/46/388178346.db2.gz WMIRVVQPLDWRBK-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H](C)CC[NH3+] ZINC000449372206 388185393 /nfs/dbraw/zinc/18/53/93/388185393.db2.gz DKEXNRZVIFYSHA-ZJUUUORDSA-N 2 0 229.368 0.864 20 0 BCADRP CC[C@@H](CO)[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000163996360 388122535 /nfs/dbraw/zinc/12/25/35/388122535.db2.gz ZENHJIDROXTYSW-VWYCJHECSA-N 2 0 212.337 0.972 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)C[NH3+] ZINC000646012031 388124137 /nfs/dbraw/zinc/12/41/37/388124137.db2.gz DWWTVHCCYSAQQK-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)C[NH2+]C ZINC000646012185 388124196 /nfs/dbraw/zinc/12/41/96/388124196.db2.gz HWOUBTCSVUVGDH-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000646012650 388124586 /nfs/dbraw/zinc/12/45/86/388124586.db2.gz UWUZFCYNASVJDT-SDDRHHMPSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449375238 388186109 /nfs/dbraw/zinc/18/61/09/388186109.db2.gz FRMCKFZBDJPDGR-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H](C)[NH+](C)C ZINC000454644929 388127728 /nfs/dbraw/zinc/12/77/28/388127728.db2.gz OTHZPEJWLSNBMF-MNOVXSKESA-N 2 0 244.383 0.576 20 0 BCADRP C[C@@H]1[C@H](C(=O)NCC(C)(C)[NH+](C)C)CC[N@@H+]1C ZINC000648716111 388130258 /nfs/dbraw/zinc/13/02/58/388130258.db2.gz WCUGEDQQHBNMGT-GHMZBOCLSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449375237 388186432 /nfs/dbraw/zinc/18/64/32/388186432.db2.gz FRMCKFZBDJPDGR-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP COC(=O)COC[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000449060877 388137664 /nfs/dbraw/zinc/13/76/64/388137664.db2.gz DZYVJJXZOJDHKH-SNVBAGLBSA-N 2 0 232.324 0.106 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2[NH2+]CC2(C)C)CC[N@@H+]1C ZINC000646077534 388138539 /nfs/dbraw/zinc/13/85/39/388138539.db2.gz UASMMDYZHVVVST-GMTAPVOTSA-N 2 0 239.363 0.583 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N[C@H]1CC[NH2+]C1 ZINC000449081016 388140584 /nfs/dbraw/zinc/14/05/84/388140584.db2.gz BATJFGJRKNMVRB-GARJFASQSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000449087200 388140709 /nfs/dbraw/zinc/14/07/09/388140709.db2.gz UWUNMEDNKMICIF-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000449377377 388186773 /nfs/dbraw/zinc/18/67/73/388186773.db2.gz SOTITLROCJZLTA-QWRGUYRKSA-N 2 0 241.379 0.864 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449102400 388142770 /nfs/dbraw/zinc/14/27/70/388142770.db2.gz JOVIOXCNBVNRCP-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000449102785 388142875 /nfs/dbraw/zinc/14/28/75/388142875.db2.gz LPYAFIAYHLDFQY-GHMZBOCLSA-N 2 0 239.363 0.727 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000449101486 388142968 /nfs/dbraw/zinc/14/29/68/388142968.db2.gz FKQZSAOAOUVALM-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449102402 388143094 /nfs/dbraw/zinc/14/30/94/388143094.db2.gz JOVIOXCNBVNRCP-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP COC(=O)COC[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000449106814 388143423 /nfs/dbraw/zinc/14/34/23/388143423.db2.gz JZWXDYDGGDPWSQ-MNOVXSKESA-N 2 0 246.351 0.494 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000646108528 388143948 /nfs/dbraw/zinc/14/39/48/388143948.db2.gz HHCCMRSGIIMPTQ-NXEZZACHSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@H](O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106388 388144080 /nfs/dbraw/zinc/14/40/80/388144080.db2.gz WRKZOVBJJZOUJI-NSHDSACASA-N 2 0 228.336 0.164 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449115404 388144380 /nfs/dbraw/zinc/14/43/80/388144380.db2.gz HMZQLHBUCXHWLV-GMTAPVOTSA-N 2 0 227.352 0.700 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC1CC[NH+](C)CC1 ZINC000449113560 388144741 /nfs/dbraw/zinc/14/47/41/388144741.db2.gz GVUCUCNGUXBWCO-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000449118539 388145143 /nfs/dbraw/zinc/14/51/43/388145143.db2.gz SNYWYTCHVYZCBV-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000449118681 388145149 /nfs/dbraw/zinc/14/51/49/388145149.db2.gz ZCIRDJVBDBJDNI-GMTAPVOTSA-N 2 0 227.352 0.583 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000449123267 388145288 /nfs/dbraw/zinc/14/52/88/388145288.db2.gz NNQHZTZQCBNICO-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000449120345 388145315 /nfs/dbraw/zinc/14/53/15/388145315.db2.gz CQYGVEPVYNJABO-JBLDHEPKSA-N 2 0 239.363 0.713 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000449121191 388145635 /nfs/dbraw/zinc/14/56/35/388145635.db2.gz GUVHKNHONMBNDP-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000449120977 388145681 /nfs/dbraw/zinc/14/56/81/388145681.db2.gz GGVJLNZVUITRAU-WPRPVWTQSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000449126020 388145929 /nfs/dbraw/zinc/14/59/29/388145929.db2.gz UGUHGLNARXTCRO-WRWGMCAJSA-N 2 0 239.363 0.476 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000449143075 388148457 /nfs/dbraw/zinc/14/84/57/388148457.db2.gz VOQUNOIGJJZABU-NXEZZACHSA-N 2 0 227.352 0.285 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000449172132 388152709 /nfs/dbraw/zinc/15/27/09/388152709.db2.gz BUGHRLJYKRFSST-LBPRGKRZSA-N 2 0 247.342 0.992 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449661711 388249592 /nfs/dbraw/zinc/24/95/92/388249592.db2.gz CYKRJNZYKLHBPQ-SECBINFHSA-N 2 0 249.305 0.442 20 0 BCADRP CN(C(=O)C[NH2+]CC1CC1)C1(C[NH3+])CCC1 ZINC000449672016 388251319 /nfs/dbraw/zinc/25/13/19/388251319.db2.gz UTYWIJHNSGRVDP-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H](O)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000166161512 388254597 /nfs/dbraw/zinc/25/45/97/388254597.db2.gz UEOLLFJSHKLSEK-ZYHUDNBSSA-N 2 0 212.337 0.689 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000449497745 388219134 /nfs/dbraw/zinc/21/91/34/388219134.db2.gz RMSAHQLZMDDTLI-MXWKQRLJSA-N 2 0 227.352 0.583 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000517932222 256555625 /nfs/dbraw/zinc/55/56/25/256555625.db2.gz HGLQMKIIGVPAJP-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000449503235 388220047 /nfs/dbraw/zinc/22/00/47/388220047.db2.gz XLYYMZOPVAOXNF-QXEWZRGKSA-N 2 0 225.336 0.384 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000449505907 388220324 /nfs/dbraw/zinc/22/03/24/388220324.db2.gz ZOQHRUFGIQLVQO-GUBZILKMSA-N 2 0 225.336 0.336 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000449539126 388227418 /nfs/dbraw/zinc/22/74/18/388227418.db2.gz VIANVBVPEFUJMG-JQWIXIFHSA-N 2 0 239.363 0.857 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)CC[NH2+]1 ZINC000646327537 388227812 /nfs/dbraw/zinc/22/78/12/388227812.db2.gz FEGMWYSUOPMYAW-GHMZBOCLSA-N 2 0 239.363 0.441 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000449546094 388228954 /nfs/dbraw/zinc/22/89/54/388228954.db2.gz UQQQDWMZIZDXKC-OOCWMUITSA-N 2 0 239.363 0.345 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449603191 388239991 /nfs/dbraw/zinc/23/99/91/388239991.db2.gz QMZYESQQQMYACY-IUCAKERBSA-N 2 0 215.341 0.603 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C1([NH3+])CCCCC1 ZINC000449602032 388240329 /nfs/dbraw/zinc/24/03/29/388240329.db2.gz SMXVMLSTKHXBBW-VIFPVBQESA-N 2 0 213.325 0.502 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449604010 388240422 /nfs/dbraw/zinc/24/04/22/388240422.db2.gz SEJIIKADWZCXSJ-KXUCPTDWSA-N 2 0 229.368 0.863 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)C1([NH3+])CCCCC1)C(F)F ZINC000449608894 388241217 /nfs/dbraw/zinc/24/12/17/388241217.db2.gz LDWOJLJLWKCGKH-MRVPVSSYSA-N 2 0 249.305 0.747 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000449608641 388241263 /nfs/dbraw/zinc/24/12/63/388241263.db2.gz JCDHAHBRTMKUPZ-MWLCHTKSSA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000449608297 388241749 /nfs/dbraw/zinc/24/17/49/388241749.db2.gz GLWZMWVOLSEOOU-JFGNBEQYSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+]CC[C@H](NC(=O)C1(C[NH3+])CCCC1)C(F)F ZINC000449608185 388241947 /nfs/dbraw/zinc/24/19/47/388241947.db2.gz FUAQUNIIHKEMGI-QMMMGPOBSA-N 2 0 249.305 0.604 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1CC[NH2+][C@@H]1CC ZINC000449610857 388242734 /nfs/dbraw/zinc/24/27/34/388242734.db2.gz SEQNNXPTBMXYEF-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH3+])C1 ZINC000449631384 388246270 /nfs/dbraw/zinc/24/62/70/388246270.db2.gz KPQSGGBEBFRXNW-UHFFFAOYSA-N 2 0 213.325 0.275 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449635624 388247183 /nfs/dbraw/zinc/24/71/83/388247183.db2.gz UXAWOVDHBBJAMY-HBNTYKKESA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)/C=C/C[NH+](C)C ZINC000491841425 388324381 /nfs/dbraw/zinc/32/43/81/388324381.db2.gz CGUIQVGZKPIJPS-VOTSOKGWSA-N 2 0 227.352 0.561 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)/C=C\C[NH+](C)C ZINC000491845192 388324779 /nfs/dbraw/zinc/32/47/79/388324779.db2.gz JSCWWACGTAQLHE-JLVNDZCYSA-N 2 0 241.379 0.951 20 0 BCADRP C[NH+](C)C/C=C\C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000491864690 388325385 /nfs/dbraw/zinc/32/53/85/388325385.db2.gz GSCSVKGKAKYIRE-FJOGCWAESA-N 2 0 239.363 0.561 20 0 BCADRP C[C@H]1C[N@H+](C)CCN1C(=O)/C=C/C[NH+](C)C ZINC000491869765 388325411 /nfs/dbraw/zinc/32/54/11/388325411.db2.gz NMXVTISRUGEUNA-QRGHLMKCSA-N 2 0 225.336 0.267 20 0 BCADRP C[NH+](C)C/C=C\C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000491880168 388325875 /nfs/dbraw/zinc/32/58/75/388325875.db2.gz BZISLKLBPTZCTI-WYGGZMRJSA-N 2 0 225.336 0.172 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)/C=C/C[NH+](C)C ZINC000491881091 388326183 /nfs/dbraw/zinc/32/61/83/388326183.db2.gz GCQIPPNYIBUJQC-GUOLPTJISA-N 2 0 241.379 0.951 20 0 BCADRP CC[NH+](CC)CCCNC(=O)/C=C/C[NH+](C)C ZINC000491892829 388326769 /nfs/dbraw/zinc/32/67/69/388326769.db2.gz MOBDKDVKUMTBQX-VQHVLOKHSA-N 2 0 241.379 0.952 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646335972 388261775 /nfs/dbraw/zinc/26/17/75/388261775.db2.gz DRGZDYMLNUHHSZ-MNXVOIDGSA-N 2 0 249.358 0.196 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)co1 ZINC000646336263 388262563 /nfs/dbraw/zinc/26/25/63/388262563.db2.gz MAEZDJIDWSCCBF-JOYOIKCWSA-N 2 0 249.314 0.562 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953484 388269025 /nfs/dbraw/zinc/26/90/25/388269025.db2.gz VUUINCBMAJPNDP-NWDGAFQWSA-N 2 0 239.363 0.570 20 0 BCADRP CC1(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[NH2+]C1 ZINC000645953381 388269069 /nfs/dbraw/zinc/26/90/69/388269069.db2.gz RKYYGHVHZXVGLC-NSHDSACASA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953275 388269119 /nfs/dbraw/zinc/26/91/19/388269119.db2.gz MXBUIARBKZNVSG-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)/C=C\C[NH+](C)C ZINC000492004106 388331139 /nfs/dbraw/zinc/33/11/39/388331139.db2.gz SEUSCZRQNHVPPI-JLVNDZCYSA-N 2 0 241.379 0.951 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CCC1 ZINC000646338519 388272264 /nfs/dbraw/zinc/27/22/64/388272264.db2.gz PFEFKGIFQGSJIB-UWVGGRQHSA-N 2 0 223.320 0.078 20 0 BCADRP [NH3+]CC1(CC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000646338735 388272696 /nfs/dbraw/zinc/27/26/96/388272696.db2.gz UBDCHUBEHWWXIV-QWRGUYRKSA-N 2 0 237.347 0.326 20 0 BCADRP C[C@H]1C[C@@H](C[NH2+]CC(F)(F)CN)CC[NH2+]1 ZINC000414927026 256629342 /nfs/dbraw/zinc/62/93/42/256629342.db2.gz KQFXAOMHXMETSI-IUCAKERBSA-N 2 0 221.295 0.558 20 0 BCADRP C[C@]1(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC000646368085 388346769 /nfs/dbraw/zinc/34/67/69/388346769.db2.gz VKTNJLNCIGFKHN-LOWVWBTDSA-N 2 0 237.347 0.054 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000646369507 388347045 /nfs/dbraw/zinc/34/70/45/388347045.db2.gz NBFBJNGIFJNKNP-HBNTYKKESA-N 2 0 237.347 0.195 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646385114 388348518 /nfs/dbraw/zinc/34/85/18/388348518.db2.gz XISMRJJOINDUHU-VXGBXAGGSA-N 2 0 239.363 0.444 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000646396597 388350351 /nfs/dbraw/zinc/35/03/51/388350351.db2.gz PKDXNEVICZBROH-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000648782913 388351397 /nfs/dbraw/zinc/35/13/97/388351397.db2.gz HQSMDOUQLZVRQC-VXGBXAGGSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@H]1CN(C(=O)C2([NH3+])CCCCC2)C[C@H](C)[NH2+]1 ZINC000131861695 388353178 /nfs/dbraw/zinc/35/31/78/388353178.db2.gz JBQFACQAFQCAER-QWRGUYRKSA-N 2 0 239.363 0.857 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)C1CC1 ZINC000646424371 388356026 /nfs/dbraw/zinc/35/60/26/388356026.db2.gz XVFZNPVTZRDBRH-WDEREUQCSA-N 2 0 239.363 0.441 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000516584015 388358136 /nfs/dbraw/zinc/35/81/36/388358136.db2.gz MFKALVOCXKJLDY-OUAUKWLOSA-N 2 0 237.347 0.609 20 0 BCADRP CN(C(=O)CC(C)(C)[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000646430770 388358176 /nfs/dbraw/zinc/35/81/76/388358176.db2.gz HMIQZYRYLICGKW-LLVKDONJSA-N 2 0 239.363 0.809 20 0 BCADRP CCCN(C(=O)[C@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000163333488 388361160 /nfs/dbraw/zinc/36/11/60/388361160.db2.gz KRKUFXLYFAWMBK-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)N1CC[NH+]2CCC1CC2 ZINC000646450364 388361393 /nfs/dbraw/zinc/36/13/93/388361393.db2.gz QBZOWJLHQCUFMZ-VIFPVBQESA-N 2 0 247.289 0.276 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000646469644 388362865 /nfs/dbraw/zinc/36/28/65/388362865.db2.gz KEBGXZUNFMARCY-VOMCLLRMSA-N 2 0 239.363 0.857 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000300392124 388364402 /nfs/dbraw/zinc/36/44/02/388364402.db2.gz YOBJUTLXEMDLQB-GRYCIOLGSA-N 2 0 212.337 0.953 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)CC[NH2+]C1CC1 ZINC000572734823 388371921 /nfs/dbraw/zinc/37/19/21/388371921.db2.gz LHFHZCRAVWBYQB-SECBINFHSA-N 2 0 213.325 0.243 20 0 BCADRP CC[NH+](CC)CC(=O)NC1CC[NH2+]CC1 ZINC000261534583 135167549 /nfs/dbraw/zinc/16/75/49/135167549.db2.gz MRVVWZBGCCKFHH-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000646533965 388377548 /nfs/dbraw/zinc/37/75/48/388377548.db2.gz ZDNLMZPNUYLUET-QWRGUYRKSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(CC[NH+](C)C)C1CC1 ZINC000646542682 388379383 /nfs/dbraw/zinc/37/93/83/388379383.db2.gz QFVCFKUKQSVFOI-SECBINFHSA-N 2 0 213.325 0.276 20 0 BCADRP CN(CC[NH3+])C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000519691208 256656613 /nfs/dbraw/zinc/65/66/13/256656613.db2.gz QPRPEAVKESBCSU-GFCCVEGCSA-N 2 0 235.331 0.884 20 0 BCADRP CCC[NH+]1CCC(CNC(=O)[C@@H]([NH3+])CC)CC1 ZINC000236759168 388381334 /nfs/dbraw/zinc/38/13/34/388381334.db2.gz OUYZEYPDGBKCEY-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000236637852 388381391 /nfs/dbraw/zinc/38/13/91/388381391.db2.gz PKMVEZHQVGEVGG-SECBINFHSA-N 2 0 213.325 0.311 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000572876633 388383038 /nfs/dbraw/zinc/38/30/38/388383038.db2.gz PSEJIWRBSXWLTJ-JQWIXIFHSA-N 2 0 227.352 0.620 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]C ZINC000236766135 388383312 /nfs/dbraw/zinc/38/33/12/388383312.db2.gz BCENZLDKVQAILS-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000236811582 388383361 /nfs/dbraw/zinc/38/33/61/388383361.db2.gz WSPZONLSPASNBE-GUBZILKMSA-N 2 0 213.325 0.323 20 0 BCADRP CC[N@H+](CCNC(=O)[C@]1(C)CC[NH2+]C1)C(C)C ZINC000236864510 388384493 /nfs/dbraw/zinc/38/44/93/388384493.db2.gz JVQQDEMXTDNDGT-CYBMUJFWSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC([NH3+])CC1 ZINC000236996547 388385060 /nfs/dbraw/zinc/38/50/60/388385060.db2.gz LFAJIWLXTMWGCI-WPRPVWTQSA-N 2 0 213.325 0.310 20 0 BCADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH3+])o1 ZINC000646571411 388385979 /nfs/dbraw/zinc/38/59/79/388385979.db2.gz HBAFZZCBMNKDKA-UHFFFAOYSA-N 2 0 239.319 0.810 20 0 BCADRP CCO[C@@H]1COC[C@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000572900249 388386362 /nfs/dbraw/zinc/38/63/62/388386362.db2.gz ZXXCNHRWYPJQGV-IRCOFANPSA-N 2 0 228.336 0.650 20 0 BCADRP COc1c(N)ncnc1N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000572900041 388386665 /nfs/dbraw/zinc/38/66/65/388386665.db2.gz SSGKZXXBWDCMIA-DTWKUNHWSA-N 2 0 249.318 0.208 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000646578201 388388004 /nfs/dbraw/zinc/38/80/04/388388004.db2.gz PLRKNFROVOQLRQ-MNOVXSKESA-N 2 0 239.363 0.442 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000237066417 388388479 /nfs/dbraw/zinc/38/84/79/388388479.db2.gz VUCIBXMDWXQCRU-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)C[NH3+] ZINC000237079308 388389446 /nfs/dbraw/zinc/38/94/46/388389446.db2.gz QCSFXUZULMUBOS-LLVKDONJSA-N 2 0 241.379 0.772 20 0 BCADRP C[NH2+]CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000237078025 388389731 /nfs/dbraw/zinc/38/97/31/388389731.db2.gz JCJJZPMNYGAWTG-QWRGUYRKSA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]([NH3+])CC(C)C ZINC000237150775 388390569 /nfs/dbraw/zinc/39/05/69/388390569.db2.gz VWFZEHNAWYDZQI-VHSXEESVSA-N 2 0 215.341 0.332 20 0 BCADRP C[N@H+](CCNC(=O)CC[NH3+])C1CCCCC1 ZINC000237142048 388390919 /nfs/dbraw/zinc/39/09/19/388390919.db2.gz DXWKXUSNNBAXJZ-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237305149 388393256 /nfs/dbraw/zinc/39/32/56/388393256.db2.gz KJJXOZXQTQCWFN-MNOVXSKESA-N 2 0 239.363 0.348 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000646609045 388394010 /nfs/dbraw/zinc/39/40/10/388394010.db2.gz HCVZYPMYEQSWBB-SNVBAGLBSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000237458336 388394767 /nfs/dbraw/zinc/39/47/67/388394767.db2.gz REINBCWLUOPYPZ-VIFPVBQESA-N 2 0 221.304 0.565 20 0 BCADRP CCN(CC[NH3+])Cc1ccc(C(N)=O)cc1 ZINC000300807678 388396304 /nfs/dbraw/zinc/39/63/04/388396304.db2.gz KGNVOKYAIQOAQJ-UHFFFAOYSA-N 2 0 221.304 0.566 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)[C@@H]1C[NH3+] ZINC000237705426 388397783 /nfs/dbraw/zinc/39/77/83/388397783.db2.gz IDRIARYGFTWIQV-HBNTYKKESA-N 2 0 225.336 0.182 20 0 BCADRP CN(C(=O)CC[C@@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000646627567 388398255 /nfs/dbraw/zinc/39/82/55/388398255.db2.gz IINDOHGUQDEWKY-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N(C)C1CC[NH2+]CC1 ZINC000646629453 388398373 /nfs/dbraw/zinc/39/83/73/388398373.db2.gz OFLQIQVZNMALMF-SECBINFHSA-N 2 0 225.336 0.337 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000237924340 388398994 /nfs/dbraw/zinc/39/89/94/388398994.db2.gz HPAFEEHIFRMURI-SDDRHHMPSA-N 2 0 239.363 0.844 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000238012558 388400073 /nfs/dbraw/zinc/40/00/73/388400073.db2.gz NYMWPVVPDALXSL-GMTAPVOTSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+]CC(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000237977523 388400295 /nfs/dbraw/zinc/40/02/95/388400295.db2.gz UJCMLFFWVHOFBT-UHFFFAOYSA-N 2 0 238.678 0.563 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NC[C@H]2CCC[NH2+]C2)o1 ZINC000646643740 388400776 /nfs/dbraw/zinc/40/07/76/388400776.db2.gz IPRXYQOROAQJOA-VIFPVBQESA-N 2 0 237.303 0.468 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000646646967 388401313 /nfs/dbraw/zinc/40/13/13/388401313.db2.gz ASQPWVSFBDRRCZ-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000646649664 388401772 /nfs/dbraw/zinc/40/17/72/388401772.db2.gz PWDWWRNJSDKIMM-YUMQZZPRSA-N 2 0 235.278 0.227 20 0 BCADRP C[NH+](C)C/C=C/C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000492110590 388335415 /nfs/dbraw/zinc/33/54/15/388335415.db2.gz PIMWWJTVQRIWIR-WAFBPQNNSA-N 2 0 239.363 0.657 20 0 BCADRP [NH3+]C[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000514603391 256681306 /nfs/dbraw/zinc/68/13/06/256681306.db2.gz HQJUVOBLPZUWBX-VXGBXAGGSA-N 3 0 211.353 0.657 20 0 BCADRP [NH3+][C@@H](C(=O)NCC[C@H]1CCC[NH2+]C1)C1CCC1 ZINC000646730891 388441010 /nfs/dbraw/zinc/44/10/10/388441010.db2.gz IHUBXXVCBLQMSD-ZYHUDNBSSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000646730868 388441140 /nfs/dbraw/zinc/44/11/40/388441140.db2.gz GOJBNMSEYZUHFH-QWRGUYRKSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+][C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000335045255 388448707 /nfs/dbraw/zinc/44/87/07/388448707.db2.gz MXHKVNHBKUZTNN-NEPJUHHUSA-N 2 0 237.347 0.420 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]C ZINC000646742804 388451652 /nfs/dbraw/zinc/45/16/52/388451652.db2.gz FGPSTRKRWINXTR-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]C ZINC000646742802 388451778 /nfs/dbraw/zinc/45/17/78/388451778.db2.gz FGPSTRKRWINXTR-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000194887586 388454666 /nfs/dbraw/zinc/45/46/66/388454666.db2.gz MEHFBEFVWYYYKP-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000336268326 388456251 /nfs/dbraw/zinc/45/62/51/388456251.db2.gz UUDYIBVLHHKFPR-RYUDHWBXSA-N 2 0 211.353 0.657 20 0 BCADRP CCCCNC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000336726944 388470394 /nfs/dbraw/zinc/47/03/94/388470394.db2.gz VQFGYHMYIZIXOL-QJPTWQEYSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000646664082 388407242 /nfs/dbraw/zinc/40/72/42/388407242.db2.gz QBUVSHMJRGSKDN-QJPTWQEYSA-N 2 0 239.363 0.490 20 0 BCADRP C([C@H]1CCOC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000393801678 388409858 /nfs/dbraw/zinc/40/98/58/388409858.db2.gz SYFJIPMISUBDLZ-UPJWGTAASA-N 2 0 224.348 0.954 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000646671991 388411723 /nfs/dbraw/zinc/41/17/23/388411723.db2.gz PEUFUYWWOWNRAP-GVXVVHGQSA-N 2 0 239.363 0.701 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)NCC[NH2+]C1CC1 ZINC000646686024 388415415 /nfs/dbraw/zinc/41/54/15/388415415.db2.gz RKUGGIZMZLXOIT-JTQLQIEISA-N 2 0 225.336 0.387 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000646688137 388417000 /nfs/dbraw/zinc/41/70/00/388417000.db2.gz CTNCHOREINQPHA-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+]C1(CC(=O)NCC[C@@H]2CC[NH2+]C2)CCC1 ZINC000646698983 388419784 /nfs/dbraw/zinc/41/97/84/388419784.db2.gz BDKXMUALZFHARC-JTQLQIEISA-N 2 0 225.336 0.374 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000646699039 388419789 /nfs/dbraw/zinc/41/97/89/388419789.db2.gz WVYYVNOAHWQMPZ-NXEZZACHSA-N 2 0 225.336 0.100 20 0 BCADRP [NH3+]C1(CC(=O)NCC[C@H]2CC[NH2+]C2)CCC1 ZINC000646698984 388420144 /nfs/dbraw/zinc/42/01/44/388420144.db2.gz BDKXMUALZFHARC-SNVBAGLBSA-N 2 0 225.336 0.374 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000646699038 388420168 /nfs/dbraw/zinc/42/01/68/388420168.db2.gz RVYHYWYMWVXYJQ-NSHDSACASA-N 2 0 227.352 0.490 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000646707710 388420781 /nfs/dbraw/zinc/42/07/81/388420781.db2.gz FMGWDMLKSPEUSA-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH2+]C1 ZINC000646729189 388439019 /nfs/dbraw/zinc/43/90/19/388439019.db2.gz CYNMAIOTCHDECJ-GHMZBOCLSA-N 2 0 225.336 0.291 20 0 BCADRP COC[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352926887 388541312 /nfs/dbraw/zinc/54/13/12/388541312.db2.gz YNDHUIAPPASACH-HNGCFSAESA-N 2 0 242.363 0.551 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000517233422 388543712 /nfs/dbraw/zinc/54/37/12/388543712.db2.gz PNWQTRADPKNUHF-NEPJUHHUSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000517237603 388544777 /nfs/dbraw/zinc/54/47/77/388544777.db2.gz LUBVXIOENXRJSC-UTLUCORTSA-N 2 0 215.341 0.602 20 0 BCADRP Cc1cncn1CC(=O)Nc1ccnc(C)c1 ZINC000528534494 388545301 /nfs/dbraw/zinc/54/53/01/388545301.db2.gz RJBVIMLDGUBAED-UHFFFAOYSA-N 2 0 230.271 0.956 20 0 BCADRP CCCN(C(=O)[C@H](C)[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000649271043 388482429 /nfs/dbraw/zinc/48/24/29/388482429.db2.gz CPKBTYSUMLBHRC-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1CCCC[N@@H+]1C ZINC000649274227 388487357 /nfs/dbraw/zinc/48/73/57/388487357.db2.gz XWELBTSDXVJZGW-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC000517234901 256820353 /nfs/dbraw/zinc/82/03/53/256820353.db2.gz UEYKREYRYOUBJD-GVXVVHGQSA-N 2 0 237.347 0.183 20 0 BCADRP C[C@@H]1CCCN(C(=O)CCCC[NH3+])[C@H]1C[NH3+] ZINC000646770751 388493318 /nfs/dbraw/zinc/49/33/18/388493318.db2.gz CQRNHCOUPYVTFT-MNOVXSKESA-N 2 0 227.352 0.701 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000646769927 388493562 /nfs/dbraw/zinc/49/35/62/388493562.db2.gz LHTRWHPMBCRHIW-AXFHLTTASA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)CC[NH2+]C(C)C ZINC000516569399 256792832 /nfs/dbraw/zinc/79/28/32/256792832.db2.gz KNIZWLDRMOWGSW-VIFPVBQESA-N 2 0 201.314 0.228 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000517390410 388549128 /nfs/dbraw/zinc/54/91/28/388549128.db2.gz HJPDZBAEERUROQ-DTWKUNHWSA-N 2 0 201.314 0.084 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N1CCC(CC[NH3+])CC1 ZINC000517240698 256821222 /nfs/dbraw/zinc/82/12/22/256821222.db2.gz KVIAWSSFSAYXND-JTQLQIEISA-N 2 0 242.367 0.494 20 0 BCADRP CC[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C1CCC1 ZINC000516759336 388516095 /nfs/dbraw/zinc/51/60/95/388516095.db2.gz GHTFGUPDXNSPGP-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000516868144 388520017 /nfs/dbraw/zinc/52/00/17/388520017.db2.gz UGPGFXZIKBXYCU-UTUOFQBUSA-N 3 0 211.353 0.655 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH2+]CC1 ZINC000646810565 388549829 /nfs/dbraw/zinc/54/98/29/388549829.db2.gz SLNPOGKWOVZTHA-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP CO[C@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@H](CN)C1 ZINC000516867505 388522736 /nfs/dbraw/zinc/52/27/36/388522736.db2.gz ZZDWMSVKYNLPGV-STQMWFEESA-N 2 0 241.379 0.424 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000517148072 256816792 /nfs/dbraw/zinc/81/67/92/256816792.db2.gz AMBQWVJFBPKSCQ-OBJOEFQTSA-N 2 0 249.358 0.339 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000516926656 388524614 /nfs/dbraw/zinc/52/46/14/388524614.db2.gz VCVMEQXYFJDNQP-KOLCDFICSA-N 2 0 221.304 0.020 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]1)C1CC1 ZINC000516929464 388526230 /nfs/dbraw/zinc/52/62/30/388526230.db2.gz AIVFRRDLQHCTBQ-AAEUAGOBSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000082796481 388587850 /nfs/dbraw/zinc/58/78/50/388587850.db2.gz VJFPSVWJYJFQHI-ZDUSSCGKSA-N 2 0 247.342 0.551 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649310553 388597336 /nfs/dbraw/zinc/59/73/36/388597336.db2.gz SIHKHHTWYCEZFP-UTUOFQBUSA-N 2 0 237.347 0.195 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000517456802 388551101 /nfs/dbraw/zinc/55/11/01/388551101.db2.gz ZZMFRSXOPDJHCX-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)C(=O)NCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000358125723 388553646 /nfs/dbraw/zinc/55/36/46/388553646.db2.gz IOAAQHIFLBBEKF-NWDGAFQWSA-N 2 0 241.379 0.688 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000521042520 388561171 /nfs/dbraw/zinc/56/11/71/388561171.db2.gz IUXOPBHSKTUFJE-LBPRGKRZSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000364475677 388564053 /nfs/dbraw/zinc/56/40/53/388564053.db2.gz BWDMJSWQSZNVGQ-VHSXEESVSA-N 2 0 211.309 0.078 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)c1ccc(C[NH3+])o1 ZINC000646840462 388616415 /nfs/dbraw/zinc/61/64/15/388616415.db2.gz MRLVLGFWNJWOIO-VIFPVBQESA-N 2 0 239.319 0.986 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649301610 388584038 /nfs/dbraw/zinc/58/40/38/388584038.db2.gz GLJLIMIQVDAGPV-OBPIAQAESA-N 2 0 249.358 0.195 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627072428 388676909 /nfs/dbraw/zinc/67/69/09/388676909.db2.gz YKPFGVKNEBEECF-VHSXEESVSA-N 2 0 228.340 0.036 20 0 BCADRP Cn1nccc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530178437 388621166 /nfs/dbraw/zinc/62/11/66/388621166.db2.gz LDZFMWMSDAUQGY-LLVKDONJSA-N 2 0 220.320 0.794 20 0 BCADRP CCC[NH+]1CCC([NH2+]C[C@H]2COCCN2)CC1 ZINC000530180780 388622649 /nfs/dbraw/zinc/62/26/49/388622649.db2.gz AKTQCZXGHLJZTC-ZDUSSCGKSA-N 2 0 241.379 0.439 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000084420073 135249492 /nfs/dbraw/zinc/24/94/92/135249492.db2.gz BINFBZIWNIKYSW-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCN(C)C1=O ZINC000530218366 388626118 /nfs/dbraw/zinc/62/61/18/388626118.db2.gz MJYJQAGDJBWNDK-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]([NH2+]CC12CC(C1)CO2)[C@H]1CC[NH2+]C1 ZINC000530217812 388629857 /nfs/dbraw/zinc/62/98/57/388629857.db2.gz CLIFNEDPWBIRPK-ZYGVAYEYSA-N 2 0 210.321 0.753 20 0 BCADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530216146 388629944 /nfs/dbraw/zinc/62/99/44/388629944.db2.gz MWLBXMSQZHACCF-WDEREUQCSA-N 3 0 211.353 0.988 20 0 BCADRP C[C@H](N[C@H]1CC[NH2+]C12CCC2)C1C[NH2+]C1 ZINC000530217620 388630824 /nfs/dbraw/zinc/63/08/24/388630824.db2.gz UJTHNJIWSPVZKW-ONGXEEELSA-N 2 0 209.337 0.469 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000530218780 388631875 /nfs/dbraw/zinc/63/18/75/388631875.db2.gz HBLRMGDVRMRREV-YECOWLKZSA-N 2 0 210.321 0.882 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530219409 388632155 /nfs/dbraw/zinc/63/21/55/388632155.db2.gz LSCRFNDXMZFPOO-IJLUTSLNSA-N 2 0 223.364 0.811 20 0 BCADRP COc1ccc(CC[NH2+][C@H](C)C2C[NH2+]C2)cn1 ZINC000530221275 388632909 /nfs/dbraw/zinc/63/29/09/388632909.db2.gz OSRJULUNEDSUSC-SNVBAGLBSA-N 2 0 235.331 0.830 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1COCCN1 ZINC000530222948 388634153 /nfs/dbraw/zinc/63/41/53/388634153.db2.gz IUIZWDKGAVBJDH-SRVKXCTJSA-N 2 0 227.352 0.082 20 0 BCADRP C[C@@H](NC[C@H]1COCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000530227419 388635277 /nfs/dbraw/zinc/63/52/77/388635277.db2.gz XJAQAKCSIKHEEA-WOPDTQHZSA-N 2 0 227.352 0.095 20 0 BCADRP C[C@@H](NC[C@H]1COCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000530227409 388635880 /nfs/dbraw/zinc/63/58/80/388635880.db2.gz XJAQAKCSIKHEEA-GRYCIOLGSA-N 2 0 227.352 0.095 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000521873061 388637322 /nfs/dbraw/zinc/63/73/22/388637322.db2.gz ZOGPPPHWEJSJOD-QMMMGPOBSA-N 2 0 237.294 0.473 20 0 BCADRP CC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037904464 388649744 /nfs/dbraw/zinc/64/97/44/388649744.db2.gz QILUGIKPGFAOMH-PWSUYJOCSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCSC2)CC[N@@H+]1C ZINC000246945142 388655511 /nfs/dbraw/zinc/65/55/11/388655511.db2.gz HCVRNASDLQRFFZ-WOPDTQHZSA-N 2 0 244.404 0.927 20 0 BCADRP C[NH+](C)CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000124312117 388662471 /nfs/dbraw/zinc/66/24/71/388662471.db2.gz GHHUSFONZATEPI-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP CCOCC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000564212315 388735919 /nfs/dbraw/zinc/73/59/19/388735919.db2.gz RSQGBPBNTWGPKJ-LBPRGKRZSA-N 2 0 242.363 0.710 20 0 BCADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](C)O)C1 ZINC000248648002 388688577 /nfs/dbraw/zinc/68/85/77/388688577.db2.gz JBYBXOCSRLLDNZ-QWRGUYRKSA-N 2 0 200.326 0.641 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[C@H](C)[NH3+] ZINC000249144584 388710863 /nfs/dbraw/zinc/71/08/63/388710863.db2.gz ZUAKTDBHRSDKKI-KYXWUPHJSA-N 2 0 213.325 0.179 20 0 BCADRP CC[N@H+](CCNC(=O)C(C)(C)[NH3+])C1CC1 ZINC000226397371 388718653 /nfs/dbraw/zinc/71/86/53/388718653.db2.gz WZYYBTAFGQMRSM-UHFFFAOYSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H](C(=O)NCC[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249512389 388725587 /nfs/dbraw/zinc/72/55/87/388725587.db2.gz OFJWXRJFGFFQKU-GRYCIOLGSA-N 2 0 241.379 0.926 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000127627339 388728821 /nfs/dbraw/zinc/72/88/21/388728821.db2.gz SPUJNCDUYKUXLA-GMTAPVOTSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC000540022474 388793522 /nfs/dbraw/zinc/79/35/22/388793522.db2.gz PJNRKYCVCVNKRH-IJLUTSLNSA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@H](C(=O)N(C)CCC[NH+](C)C)[NH+](C)C ZINC000540517394 388808411 /nfs/dbraw/zinc/80/84/11/388808411.db2.gz LVJMEZRZGNHAGX-LLVKDONJSA-N 2 0 229.368 0.737 20 0 BCADRP CCOC[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000128630633 388777044 /nfs/dbraw/zinc/77/70/44/388777044.db2.gz PDUMSQAFVPKRKB-ZDUSSCGKSA-N 2 0 243.395 0.639 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000128622315 388778370 /nfs/dbraw/zinc/77/83/70/388778370.db2.gz MASUBFAUPFYEQE-OPRDCNLKSA-N 2 0 213.325 0.228 20 0 BCADRP COC[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000250485569 388790642 /nfs/dbraw/zinc/79/06/42/388790642.db2.gz YQEWDFQGNJLOBP-NWDGAFQWSA-N 2 0 212.337 0.954 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000261735303 388881841 /nfs/dbraw/zinc/88/18/41/388881841.db2.gz ORIHFUPZTXAHHN-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000564949549 388899561 /nfs/dbraw/zinc/89/95/61/388899561.db2.gz ANEWJLNEPUMBDJ-GUBZILKMSA-N 2 0 225.336 0.323 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000564988305 388902295 /nfs/dbraw/zinc/90/22/95/388902295.db2.gz AWXIPHFVSDEHOE-QWHCGFSZSA-N 2 0 242.363 0.723 20 0 BCADRP CCCNC(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129883379 388875051 /nfs/dbraw/zinc/87/50/51/388875051.db2.gz MKWXLKUBUAGUDO-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000564992462 388906507 /nfs/dbraw/zinc/90/65/07/388906507.db2.gz LYXCZQOKCDDFIN-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])[NH+](C)C ZINC000565041289 388909389 /nfs/dbraw/zinc/90/93/89/388909389.db2.gz UUAYCROXSKJJNW-DCAQKATOSA-N 2 0 229.368 0.815 20 0 BCADRP O=C(N1CC[C@@H]([NH+]2CCCC2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000565035129 388910256 /nfs/dbraw/zinc/91/02/56/388910256.db2.gz RJVVUXHCRMHVMK-BZPMIXESSA-N 2 0 249.358 0.435 20 0 BCADRP CC[N@H+](C[C@@H]1CCCO1)C[C@@](C)(O)C[NH2+]C ZINC000565095734 388913693 /nfs/dbraw/zinc/91/36/93/388913693.db2.gz PDPSTWRVBBSWAS-RYUDHWBXSA-N 2 0 230.352 0.458 20 0 BCADRP CCN(C)C[C@H](O)C[N@@H+]1[C@H](C)CCC[C@H]1CO ZINC000565158462 388918229 /nfs/dbraw/zinc/91/82/29/388918229.db2.gz SDJJTAJHJSNIEK-AGIUHOORSA-N 2 0 244.379 0.534 20 0 BCADRP CCN(C)C[C@H](O)C[N@@H+]1[C@@H](C)CCC[C@H]1CO ZINC000565158469 388919113 /nfs/dbraw/zinc/91/91/13/388919113.db2.gz SDJJTAJHJSNIEK-AVGNSLFASA-N 2 0 244.379 0.534 20 0 BCADRP Cn1cncc1CCC[N@H+](C)C1(CO)CC1 ZINC000565165326 388920622 /nfs/dbraw/zinc/92/06/22/388920622.db2.gz RBMJPAJYURDXQE-UHFFFAOYSA-N 2 0 223.320 0.809 20 0 BCADRP CC(C)CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565234692 388929915 /nfs/dbraw/zinc/92/99/15/388929915.db2.gz XEWDKORZHBFPGX-VXGBXAGGSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+]CCC[NH2+][C@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000565234438 388930225 /nfs/dbraw/zinc/93/02/25/388930225.db2.gz UCTURGFBKZLFGA-NWDGAFQWSA-N 2 0 239.363 0.858 20 0 BCADRP CC[C@@H]1CC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000565308784 388934721 /nfs/dbraw/zinc/93/47/21/388934721.db2.gz DPHIMRIEVPMNTD-MNOVXSKESA-N 2 0 200.326 0.689 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(Cc2nc(C3CC3)nn2C)C1 ZINC000564987698 388904855 /nfs/dbraw/zinc/90/48/55/388904855.db2.gz HFJFZHUIAQMVGG-KOLCDFICSA-N 2 0 249.362 0.862 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000565419850 388943570 /nfs/dbraw/zinc/94/35/70/388943570.db2.gz HNSBCXWUFGYGPY-DGCLKSJQSA-N 2 0 241.379 0.962 20 0 BCADRP CN(CCC[NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000565548807 388954047 /nfs/dbraw/zinc/95/40/47/388954047.db2.gz IQSGNCBLAYACRB-SNVBAGLBSA-N 2 0 228.340 0.119 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000565833967 388972360 /nfs/dbraw/zinc/97/23/60/388972360.db2.gz ONVRWFNVHVXBHM-ONGXEEELSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000565886990 388977049 /nfs/dbraw/zinc/97/70/49/388977049.db2.gz JBYXKUVAVRIJAO-WOPDTQHZSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@H]1CN(C)C[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000566088498 388986890 /nfs/dbraw/zinc/98/68/90/388986890.db2.gz VWGIKLKQWWXDEO-CMPLNLGQSA-N 2 0 211.353 0.526 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000262164950 535474431 /nfs/dbraw/zinc/47/44/31/535474431.db2.gz TZAHCPMURGHCJC-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@@H](NCC[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400674412 533394717 /nfs/dbraw/zinc/39/47/17/533394717.db2.gz VGOVPHBXTGKIBL-NEPJUHHUSA-N 2 0 211.353 0.812 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000361761815 132280312 /nfs/dbraw/zinc/28/03/12/132280312.db2.gz FAIQCKADASIABZ-VIFPVBQESA-N 2 0 233.315 0.772 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)[NH+](C)C ZINC000253160400 133653120 /nfs/dbraw/zinc/65/31/20/133653120.db2.gz STMIXPKVEISLAE-VWYCJHECSA-N 2 0 227.352 0.441 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351771642 133985142 /nfs/dbraw/zinc/98/51/42/133985142.db2.gz VTKWCRZHPKLIGK-DCAQKATOSA-N 2 0 227.352 0.700 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167528280 134003549 /nfs/dbraw/zinc/00/35/49/134003549.db2.gz WXKSXUQFOIJKDD-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@]1(C(=O)NCC2(C)CC[NH2+]CC2)CC[NH2+]C1 ZINC000335986683 134039232 /nfs/dbraw/zinc/03/92/32/134039232.db2.gz WZYGKDBMIAANOT-ZDUSSCGKSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000336004219 134048447 /nfs/dbraw/zinc/04/84/47/134048447.db2.gz LMRQBNVWFIYNRJ-ZYHUDNBSSA-N 2 0 239.363 0.429 20 0 BCADRP [NH3+]CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000336127810 134093365 /nfs/dbraw/zinc/09/33/65/134093365.db2.gz VNCGJHBFMWQLED-UHFFFAOYSA-N 2 0 223.251 0.369 20 0 BCADRP [NH3+]C1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCC1 ZINC000336176611 134117000 /nfs/dbraw/zinc/11/70/00/134117000.db2.gz RXXCLVNPCKZGRE-PHIMTYICSA-N 2 0 237.347 0.611 20 0 BCADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@@H](O)C2)CC1 ZINC000336210551 134134365 /nfs/dbraw/zinc/13/43/65/134134365.db2.gz YVBNIBOVLPDDAS-TXEJJXNPSA-N 2 0 212.337 0.972 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1([NH3+])CCC1 ZINC000336213350 134135434 /nfs/dbraw/zinc/13/54/34/134135434.db2.gz NRHZXORENDBSKJ-GXSJLCMTSA-N 2 0 237.347 0.467 20 0 BCADRP COC[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167604966 134152612 /nfs/dbraw/zinc/15/26/12/134152612.db2.gz SGHOMHGISUMJJO-DCAQKATOSA-N 2 0 200.326 0.938 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[NH+](C)C)C1 ZINC000167947661 134154990 /nfs/dbraw/zinc/15/49/90/134154990.db2.gz VDPPKISEOYTRGL-UWVGGRQHSA-N 2 0 213.325 0.134 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000353455566 134163760 /nfs/dbraw/zinc/16/37/60/134163760.db2.gz YHFZIEJXFKBTQM-TUAOUCFPSA-N 2 0 241.379 0.831 20 0 BCADRP Cn1cncc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000085170876 134224529 /nfs/dbraw/zinc/22/45/29/134224529.db2.gz ZFKXWZREBMTGPR-NSHDSACASA-N 2 0 222.336 0.981 20 0 BCADRP COC[C@@H]([NH2+]CCOCC[NH+](C)C)C1CC1 ZINC000219320338 134281218 /nfs/dbraw/zinc/28/12/18/134281218.db2.gz JXOIJKCDQZHUTQ-GFCCVEGCSA-N 2 0 230.352 0.579 20 0 BCADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COC ZINC000175593276 134288029 /nfs/dbraw/zinc/28/80/29/134288029.db2.gz WWRHMPPMBUACRS-AGIUHOORSA-N 2 0 242.363 0.552 20 0 BCADRP CNC(=O)CCC[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000220378759 134306216 /nfs/dbraw/zinc/30/62/16/134306216.db2.gz RSJFSDIKQKLAML-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP CCCN(C(=O)[C@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000178408179 134310255 /nfs/dbraw/zinc/31/02/55/134310255.db2.gz OJASABYMVQRIAE-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000178669697 134312796 /nfs/dbraw/zinc/31/27/96/134312796.db2.gz QJXDBQICZHTEOM-YEJSDXFRSA-N 2 0 239.363 0.761 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000178708046 134313342 /nfs/dbraw/zinc/31/33/42/134313342.db2.gz OKVSDHZOVAETIZ-LBPRGKRZSA-N 2 0 239.363 0.714 20 0 BCADRP CCCN(C(=O)[C@@]1(F)CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000178936476 134313651 /nfs/dbraw/zinc/31/36/51/134313651.db2.gz TZSXOGIPZKAYEV-CMPLNLGQSA-N 2 0 243.326 0.289 20 0 BCADRP CC(=O)N[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178957817 134313771 /nfs/dbraw/zinc/31/37/71/134313771.db2.gz BSJRWLZHQSAZER-CYBMUJFWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000178860672 134315649 /nfs/dbraw/zinc/31/56/49/134315649.db2.gz ZSDFGVCXHSNLPP-CMPLNLGQSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)C(C)(C)C[NH+](C)C ZINC000178818002 134315707 /nfs/dbraw/zinc/31/57/07/134315707.db2.gz MMYNJHUAPMZLGM-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H]1CSCN1 ZINC000178836272 134315712 /nfs/dbraw/zinc/31/57/12/134315712.db2.gz ZSCHSVXSZAKKKY-SNVBAGLBSA-N 2 0 245.392 0.497 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000178836235 134315832 /nfs/dbraw/zinc/31/58/32/134315832.db2.gz WRQFMAQSJKVKQU-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH3+])[C@H](C)C1 ZINC000178814238 134315856 /nfs/dbraw/zinc/31/58/56/134315856.db2.gz VXAYLOZXHBEMTR-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CO)[C@@H](C)C1 ZINC000222602985 134333554 /nfs/dbraw/zinc/33/35/54/134333554.db2.gz BYPJZLPKGFKBCN-AXFHLTTASA-N 2 0 200.326 0.687 20 0 BCADRP COC[C@@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000182342831 134343948 /nfs/dbraw/zinc/34/39/48/134343948.db2.gz AIFNCMFVXQTUJQ-RYUDHWBXSA-N 2 0 230.352 0.267 20 0 BCADRP C[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000224331086 134345836 /nfs/dbraw/zinc/34/58/36/134345836.db2.gz FJSLDWJPTWSGJU-GRYCIOLGSA-N 2 0 214.353 0.935 20 0 BCADRP C[NH2+]CCCC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184176152 134359622 /nfs/dbraw/zinc/35/96/22/134359622.db2.gz GYSAEIDAVPWBGU-UHFFFAOYSA-N 2 0 249.358 0.974 20 0 BCADRP O[C@H](C[NH2+]C[C@@H]1CCSC1)C[NH+]1CCCC1 ZINC000226375312 134364615 /nfs/dbraw/zinc/36/46/15/134364615.db2.gz FXZSEKARXFJRSA-NWDGAFQWSA-N 2 0 244.404 0.786 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(C)(C)C[NH3+] ZINC000226396653 134365094 /nfs/dbraw/zinc/36/50/94/134365094.db2.gz MGZVZGJJBAELFK-JTQLQIEISA-N 2 0 229.368 0.818 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000226394015 134365388 /nfs/dbraw/zinc/36/53/88/134365388.db2.gz JWGDVBQMOXBLPV-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP [NH3+][C@H]1CCCC[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000185412863 134380112 /nfs/dbraw/zinc/38/01/12/134380112.db2.gz NFMUIYOAQWYHPD-NWDGAFQWSA-N 2 0 239.363 0.762 20 0 BCADRP COC[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000227712264 134384554 /nfs/dbraw/zinc/38/45/54/134384554.db2.gz QVNOYBUESTUPKG-SRVKXCTJSA-N 2 0 230.352 0.720 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C[NH+](C)C ZINC000227733523 134385671 /nfs/dbraw/zinc/38/56/71/134385671.db2.gz UTUUBBMDRIAVSN-SNVBAGLBSA-N 2 0 215.341 0.380 20 0 BCADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)N(C)C ZINC000227736147 134385895 /nfs/dbraw/zinc/38/58/95/134385895.db2.gz KTHMDRYNOXTKEM-NSHDSACASA-N 2 0 229.368 0.770 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H](C)C[NH3+] ZINC000230705474 134533842 /nfs/dbraw/zinc/53/38/42/134533842.db2.gz JXAGNSFWRMOXFD-SNVBAGLBSA-N 2 0 215.341 0.381 20 0 BCADRP CCC(O)(CC)C[NH2+][C@@H](CCC[NH3+])COC ZINC000232929119 134558417 /nfs/dbraw/zinc/55/84/17/134558417.db2.gz WJSYHOPLQAZWIX-NSHDSACASA-N 2 0 232.368 0.881 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)NCCCC[NH3+] ZINC000232932005 134558477 /nfs/dbraw/zinc/55/84/77/134558477.db2.gz IWHVOEQSIHBJNW-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000086064765 134578908 /nfs/dbraw/zinc/57/89/08/134578908.db2.gz BLVMHMQEPJXMIM-SNVBAGLBSA-N 2 0 229.368 0.546 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CCC[NH2+]1 ZINC000049559637 134634636 /nfs/dbraw/zinc/63/46/36/134634636.db2.gz FBUWNCOUGCVJLM-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)[NH+](C)C ZINC000133733042 134691662 /nfs/dbraw/zinc/69/16/62/134691662.db2.gz SSNLCPWSBWCMLK-RYUDHWBXSA-N 2 0 241.379 0.737 20 0 BCADRP CC[C@]1(C(=O)NC[C@@H]([NH3+])C(C)C)CCC[NH2+]1 ZINC000134368750 134707566 /nfs/dbraw/zinc/70/75/66/134707566.db2.gz NIPKBGNPLDMFAE-ZYHUDNBSSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]CCCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237112944 134844078 /nfs/dbraw/zinc/84/40/78/134844078.db2.gz JSXZOVZOJQGGKC-FOSCPWQOSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@]2(C)CCCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000248391419 135001339 /nfs/dbraw/zinc/00/13/39/135001339.db2.gz CCXSHRITHOQCED-NTZNESFSSA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]C3)C[C@H]12 ZINC000248602737 135015397 /nfs/dbraw/zinc/01/53/97/135015397.db2.gz JHZBOLDMPYWUIH-WISYIIOYSA-N 2 0 237.347 0.182 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH2+]3)C[C@@H]12 ZINC000248654403 135018428 /nfs/dbraw/zinc/01/84/28/135018428.db2.gz VVXPQZYXCZVLPN-DDHJBXDOSA-N 2 0 237.347 0.324 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248573772 135020654 /nfs/dbraw/zinc/02/06/54/135020654.db2.gz DDVJVYFATFBBIH-NAKRPEOUSA-N 2 0 225.336 0.038 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251166861 135065197 /nfs/dbraw/zinc/06/51/97/135065197.db2.gz DFCDKGJZOZPAJV-WOPDTQHZSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251193612 135066396 /nfs/dbraw/zinc/06/63/96/135066396.db2.gz JNABZFOLBXJJQB-SRVKXCTJSA-N 2 0 239.363 0.857 20 0 BCADRP C[NH2+]CC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000237241324 135070095 /nfs/dbraw/zinc/07/00/95/135070095.db2.gz ZTRRGJGBDVQHGY-UHFFFAOYSA-N 2 0 235.331 0.584 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000251839742 135078783 /nfs/dbraw/zinc/07/87/83/135078783.db2.gz QINQRFGMXWSBTH-MXWKQRLJSA-N 2 0 227.352 0.298 20 0 BCADRP C[NH2+]CCCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251837824 135079254 /nfs/dbraw/zinc/07/92/54/135079254.db2.gz QDCJJUHYKONMBA-NEPJUHHUSA-N 2 0 211.353 0.764 20 0 BCADRP C[C@@H]1C[N@H+](CCOCC[NH3+])CCCO1 ZINC000086435707 135084404 /nfs/dbraw/zinc/08/44/04/135084404.db2.gz TYUYKELUMQRZGY-SNVBAGLBSA-N 2 0 202.298 0.073 20 0 BCADRP COC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000086700619 135095007 /nfs/dbraw/zinc/09/50/07/135095007.db2.gz GFAMJCNRBUNIRK-STQMWFEESA-N 2 0 244.379 0.704 20 0 BCADRP COC(=O)C[N@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000086703725 135095427 /nfs/dbraw/zinc/09/54/27/135095427.db2.gz CCADXCKRTRHLGE-UHFFFAOYSA-N 2 0 226.320 0.623 20 0 BCADRP C[NH+](CCN[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000086730083 135096002 /nfs/dbraw/zinc/09/60/02/135096002.db2.gz BJHDBUUKNQVQGK-NSHDSACASA-N 2 0 211.353 0.812 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COC)[C@@H](C)C1 ZINC000252712368 135100323 /nfs/dbraw/zinc/10/03/23/135100323.db2.gz MFRHOGXEXLBVKN-SRVKXCTJSA-N 2 0 230.352 0.314 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000252730510 135103532 /nfs/dbraw/zinc/10/35/32/135103532.db2.gz LRKZTIXDQOWGIK-AGIUHOORSA-N 2 0 241.379 0.247 20 0 BCADRP O[C@@H]1CC[C@H]2C[N@H+](CCn3ccnc3)C[C@H]12 ZINC000252841124 135112624 /nfs/dbraw/zinc/11/26/24/135112624.db2.gz AJVJCGCVTHIMMM-SDDRHHMPSA-N 2 0 221.304 0.586 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC1=[NH+]CCCN1 ZINC000262426539 135119037 /nfs/dbraw/zinc/11/90/37/135119037.db2.gz VVQBMEAOODDZBJ-SNVBAGLBSA-N 2 0 212.341 0.656 20 0 BCADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000253096458 135120836 /nfs/dbraw/zinc/12/08/36/135120836.db2.gz LVPZPOVTFMCQDN-ZRUFSTJUSA-N 2 0 212.337 0.863 20 0 BCADRP C[C@@H]1C[NH+](C[C@H]2CCCN2CC[NH3+])C[C@@H](C)O1 ZINC000263086728 135124276 /nfs/dbraw/zinc/12/42/76/135124276.db2.gz XZOBSYCBVPBJNT-JHJVBQTASA-N 2 0 241.379 0.519 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253202339 135124933 /nfs/dbraw/zinc/12/49/33/135124933.db2.gz YTBJIQMEKJBCIB-VWYCJHECSA-N 2 0 225.336 0.467 20 0 BCADRP C([C@@H]1CCOC1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257669141 135138082 /nfs/dbraw/zinc/13/80/82/135138082.db2.gz HZNBWYBUTHUGRT-RYUDHWBXSA-N 2 0 210.321 0.708 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000087471641 135141562 /nfs/dbraw/zinc/14/15/62/135141562.db2.gz PFCZFHZAOGUEOG-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]CCC[N@H+](C)CCC(=O)N(C)C ZINC000087472825 135142547 /nfs/dbraw/zinc/14/25/47/135142547.db2.gz CNQOOKMXOINSRD-UHFFFAOYSA-N 2 0 201.314 0.006 20 0 BCADRP C[C@](O)(C[NH2+][C@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000261531195 135159736 /nfs/dbraw/zinc/15/97/36/135159736.db2.gz FPPLFZYUMVTGMB-USWWRNFRSA-N 2 0 212.337 0.864 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)CCC[NH3+] ZINC000261531865 135161642 /nfs/dbraw/zinc/16/16/42/135161642.db2.gz ICPJUUNVJJJTMP-SECBINFHSA-N 2 0 201.314 0.359 20 0 BCADRP C[C@H]1CN(C)CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000261532971 135163909 /nfs/dbraw/zinc/16/39/09/135163909.db2.gz FBPZYWDOBFNSGN-WDEREUQCSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@]1(C(N)=O)CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261534184 135166810 /nfs/dbraw/zinc/16/68/10/135166810.db2.gz OEKKUUMFGWNBMJ-JQWIXIFHSA-N 2 0 225.336 0.183 20 0 BCADRP CC(C)OCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261537943 135174287 /nfs/dbraw/zinc/17/42/87/135174287.db2.gz WUZKQMVGIWWQBO-RYUDHWBXSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@@]1(C[NH3+])CCN(CC(=O)N2CCCCC2)C1 ZINC000261540638 135179968 /nfs/dbraw/zinc/17/99/68/135179968.db2.gz AICVTVGBWAFKIU-ZDUSSCGKSA-N 2 0 239.363 0.670 20 0 BCADRP C[C@H]1CC[N@H+](CCc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000261540765 135180033 /nfs/dbraw/zinc/18/00/33/135180033.db2.gz HUYRFCGXIDPIQF-WCQYABFASA-N 2 0 236.363 0.879 20 0 BCADRP C[N@H+](CCNC(=O)CC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000261542687 135183387 /nfs/dbraw/zinc/18/33/87/135183387.db2.gz CGZFYHPLFPREKS-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCN(C)C[C@H]2C)C1 ZINC000261543521 135184612 /nfs/dbraw/zinc/18/46/12/135184612.db2.gz UAUSAVAFGFJIHW-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000261550816 135189902 /nfs/dbraw/zinc/18/99/02/135189902.db2.gz PSSIZZBJPDSDNC-IVZWLZJFSA-N 2 0 213.325 0.051 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C[C@]1(C)CC[NH2+]C1 ZINC000261553443 135192652 /nfs/dbraw/zinc/19/26/52/135192652.db2.gz SLRNMHPPHKLKEH-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CC[C@H]1O ZINC000261555776 135195316 /nfs/dbraw/zinc/19/53/16/135195316.db2.gz VGWZHVOJHQZODK-IJLUTSLNSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000261556793 135196956 /nfs/dbraw/zinc/19/69/56/135196956.db2.gz WIKMYYUZWPSDBX-SECBINFHSA-N 2 0 208.309 0.969 20 0 BCADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000261558562 135199497 /nfs/dbraw/zinc/19/94/97/135199497.db2.gz YLCHSNKGOSQXPL-TUAOUCFPSA-N 2 0 211.353 0.668 20 0 BCADRP CCCNC(=O)[C@@H](C)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261558876 135199683 /nfs/dbraw/zinc/19/96/83/135199683.db2.gz SVJFAOCALNCERY-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP O[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC12CC2 ZINC000261559436 135200479 /nfs/dbraw/zinc/20/04/79/135200479.db2.gz ZDIRYHAIDNICHB-NSHDSACASA-N 2 0 210.321 0.443 20 0 BCADRP C[C@]1(C[N@@H+]2CCC[C@H](CO)C2)CC[NH2+]C1 ZINC000261560114 135200766 /nfs/dbraw/zinc/20/07/66/135200766.db2.gz ZQHCJLDOZMRAKR-RYUDHWBXSA-N 2 0 212.337 0.690 20 0 BCADRP C[C@@]1(C[N@@H+]2CCC[C@H](CO)C2)CC[NH2+]C1 ZINC000261560113 135200859 /nfs/dbraw/zinc/20/08/59/135200859.db2.gz ZQHCJLDOZMRAKR-NWDGAFQWSA-N 2 0 212.337 0.690 20 0 BCADRP CCOCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261560927 135201626 /nfs/dbraw/zinc/20/16/26/135201626.db2.gz AJDRWYZURMNCFZ-LBPRGKRZSA-N 2 0 227.352 0.002 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000261562688 135204101 /nfs/dbraw/zinc/20/41/01/135204101.db2.gz BNMYPXDTMWHSKE-GUBZILKMSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000261563453 135205612 /nfs/dbraw/zinc/20/56/12/135205612.db2.gz BWOCUBSAEATSKK-AEJSXWLSSA-N 2 0 213.325 0.167 20 0 BCADRP CCSCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261573124 135214479 /nfs/dbraw/zinc/21/44/79/135214479.db2.gz IPRMWFBJDZYONN-GFCCVEGCSA-N 2 0 243.420 0.719 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C[C@@H](C)[NH3+] ZINC000261572824 135214554 /nfs/dbraw/zinc/21/45/54/135214554.db2.gz IISWTVOREXNGGW-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000261574121 135215560 /nfs/dbraw/zinc/21/55/60/135215560.db2.gz JCEYGDHVYGEZGS-KOLCDFICSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000084382471 135216465 /nfs/dbraw/zinc/21/64/65/135216465.db2.gz CXHWMETXOBSHMS-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP [NH3+]C1(c2noc([C@H]3CC[NH2+]3)n2)CCCC1 ZINC000261575482 135216975 /nfs/dbraw/zinc/21/69/75/135216975.db2.gz JUEWEIKRWQOJHK-SSDOTTSWSA-N 2 0 208.265 0.832 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000261577301 135218590 /nfs/dbraw/zinc/21/85/90/135218590.db2.gz KYFPEBCMPZFZOY-KXUCPTDWSA-N 2 0 215.341 0.603 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000261582043 135222860 /nfs/dbraw/zinc/22/28/60/135222860.db2.gz OACBTIMSKKBXRQ-VIFPVBQESA-N 2 0 213.325 0.502 20 0 BCADRP CN(CC(C)(C)[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261583033 135224437 /nfs/dbraw/zinc/22/44/37/135224437.db2.gz OUIATQINKXTFQI-LLVKDONJSA-N 2 0 211.353 0.892 20 0 BCADRP CN1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1=O ZINC000261584550 135226325 /nfs/dbraw/zinc/22/63/25/135226325.db2.gz PXXUYJCUVGVEAK-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP CCSCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261587275 135228785 /nfs/dbraw/zinc/22/87/85/135228785.db2.gz RQEVEGICVQJZEX-LBPRGKRZSA-N 2 0 243.420 0.719 20 0 BCADRP Cn1cnnc1[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261588549 135229508 /nfs/dbraw/zinc/22/95/08/135229508.db2.gz VTRORBYHLMAIJX-LBPRGKRZSA-N 2 0 249.362 0.952 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000261592420 135232857 /nfs/dbraw/zinc/23/28/57/135232857.db2.gz VVOFFSWQXRWWRB-KKZNHRDASA-N 2 0 213.325 0.357 20 0 BCADRP C(C1CCOCC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261593454 135233268 /nfs/dbraw/zinc/23/32/68/135233268.db2.gz WWZZCQROCBYQLC-QWHCGFSZSA-N 2 0 224.348 0.954 20 0 BCADRP C[C@H](CNC(=O)CC[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000261594001 135234424 /nfs/dbraw/zinc/23/44/24/135234424.db2.gz XGTARNGSBHWAEV-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(C)(C)C[NH3+] ZINC000261594242 135234524 /nfs/dbraw/zinc/23/45/24/135234524.db2.gz XJCFGBWOIFLKRP-IUCAKERBSA-N 2 0 213.325 0.086 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000261594912 135235141 /nfs/dbraw/zinc/23/51/41/135235141.db2.gz XTLQXOXVLYQJPJ-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261597529 135236813 /nfs/dbraw/zinc/23/68/13/135236813.db2.gz ZEQKHBWKCREWCD-DTWKUNHWSA-N 2 0 213.325 0.213 20 0 BCADRP OCCO[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261640588 135242609 /nfs/dbraw/zinc/24/26/09/135242609.db2.gz FPOSRJHUAYGASK-ZDUSSCGKSA-N 2 0 242.363 0.459 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000261642528 135242661 /nfs/dbraw/zinc/24/26/61/135242661.db2.gz CGWSXMOQFIEMDM-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@@H](C)[NH2+]1 ZINC000261661187 135243507 /nfs/dbraw/zinc/24/35/07/135243507.db2.gz ASHQEWKEBXJEQJ-WISYIIOYSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261616303 135244560 /nfs/dbraw/zinc/24/45/60/135244560.db2.gz AEGIGOZDQVDWRX-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP COCC[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261709220 135247691 /nfs/dbraw/zinc/24/76/91/135247691.db2.gz DIMJOAXJABZPLY-CYBMUJFWSA-N 2 0 241.379 0.250 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000261708175 135247779 /nfs/dbraw/zinc/24/77/79/135247779.db2.gz GBJLCAQRCBUPHU-GARJFASQSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@]1(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC[NH2+]C1 ZINC000261712954 135247881 /nfs/dbraw/zinc/24/78/81/135247881.db2.gz DWLFDSKMNVTPJT-RNJOBUHISA-N 2 0 224.348 0.689 20 0 BCADRP C[C@]1(C[NH3+])CCN(CC(=O)Nc2ccncc2)C1 ZINC000261721864 135248172 /nfs/dbraw/zinc/24/81/72/135248172.db2.gz NMIMXRIOYIROJV-CYBMUJFWSA-N 2 0 248.330 0.691 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261732547 135248502 /nfs/dbraw/zinc/24/85/02/135248502.db2.gz MYKRLRWZDLTDLT-GFCCVEGCSA-N 2 0 249.358 0.754 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000084420064 135249302 /nfs/dbraw/zinc/24/93/02/135249302.db2.gz MCYDCWWCGNXKGF-WDEREUQCSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@H]([NH3+])C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261748110 135249654 /nfs/dbraw/zinc/24/96/54/135249654.db2.gz OSYFQJUMHTZPJA-NSHDSACASA-N 2 0 235.331 0.364 20 0 BCADRP C[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000261750202 135249839 /nfs/dbraw/zinc/24/98/39/135249839.db2.gz IZTKAKLRMOSICY-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@]1(C[N@@H+]2CC[C@](C)(C(N)=O)C2)CC[NH2+]C1 ZINC000261772828 135251780 /nfs/dbraw/zinc/25/17/80/135251780.db2.gz MWNFWAOEOSJXDL-NEPJUHHUSA-N 2 0 225.336 0.183 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCC[NH+]1CCCC1 ZINC000261785420 135252297 /nfs/dbraw/zinc/25/22/97/135252297.db2.gz PSLDABVEAJADJT-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000261779631 135252787 /nfs/dbraw/zinc/25/27/87/135252787.db2.gz BDCLKLDGGMKJDY-UNXYVOJBSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000261822441 135255184 /nfs/dbraw/zinc/25/51/84/135255184.db2.gz MPHLRUYFWIARJI-DCAQKATOSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000261826359 135255991 /nfs/dbraw/zinc/25/59/91/135255991.db2.gz ISTJNHUCAZSBBE-DCAQKATOSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000261826382 135256376 /nfs/dbraw/zinc/25/63/76/135256376.db2.gz ISTJNHUCAZSBBE-HBNTYKKESA-N 2 0 225.336 0.276 20 0 BCADRP C[C@@H]1CN(C(C)(C)CNC(N)=[NH2+])C[C@H](C)O1 ZINC000261874051 135259019 /nfs/dbraw/zinc/25/90/19/135259019.db2.gz PLEQVZFBHZGRJS-DTORHVGOSA-N 2 0 228.340 0.357 20 0 BCADRP C[C@H]([NH3+])CC(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000261870486 135259315 /nfs/dbraw/zinc/25/93/15/135259315.db2.gz QPVICMQSSSJLMM-VIFPVBQESA-N 2 0 245.286 0.943 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261886397 135259941 /nfs/dbraw/zinc/25/99/41/135259941.db2.gz VESZVSLLLWNAMI-VXGBXAGGSA-N 2 0 241.379 0.866 20 0 BCADRP COC(=O)[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261887166 135260016 /nfs/dbraw/zinc/26/00/16/135260016.db2.gz SDQKUAVJQIPMDX-AAEUAGOBSA-N 2 0 240.347 0.871 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000261916264 135262370 /nfs/dbraw/zinc/26/23/70/135262370.db2.gz YWJOOAXGZPZDIZ-GHMZBOCLSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000261931795 135264611 /nfs/dbraw/zinc/26/46/11/135264611.db2.gz YYWOWFMCYVZENB-ZYHUDNBSSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261943111 135264776 /nfs/dbraw/zinc/26/47/76/135264776.db2.gz NVNCJDMYTLVMIH-CKYFFXLPSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[NH+](C)C ZINC000261958793 135265965 /nfs/dbraw/zinc/26/59/65/135265965.db2.gz MFZBVDHPIVWYML-WOPDTQHZSA-N 2 0 241.379 0.768 20 0 BCADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H]1CO ZINC000261962690 135266995 /nfs/dbraw/zinc/26/69/95/135266995.db2.gz PLHNZAMIGAAQAP-PWSUYJOCSA-N 2 0 212.337 0.546 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000262004489 135271522 /nfs/dbraw/zinc/27/15/22/135271522.db2.gz IAHLLOYLHIHPAO-TUAOUCFPSA-N 2 0 239.363 0.727 20 0 BCADRP COC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000262058189 135276992 /nfs/dbraw/zinc/27/69/92/135276992.db2.gz IDNAJOFMCFFEPU-JTQLQIEISA-N 2 0 243.351 0.128 20 0 BCADRP [NH3+]C1(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000262139957 135281332 /nfs/dbraw/zinc/28/13/32/135281332.db2.gz PBAPKFVYPPSPQY-UHFFFAOYSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@H](CNC1=[NH+]CCCN1)[N@H+](C)C1CC1 ZINC000262174742 135283633 /nfs/dbraw/zinc/28/36/33/135283633.db2.gz VUIORKLDYDENBO-SECBINFHSA-N 2 0 210.325 0.408 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262246502 135287440 /nfs/dbraw/zinc/28/74/40/135287440.db2.gz OWDYNRBDLMMKSQ-UHFFFAOYSA-N 2 0 225.336 0.054 20 0 BCADRP C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H]1C ZINC000262281757 135289758 /nfs/dbraw/zinc/28/97/58/135289758.db2.gz ZGGZRZRPJXAACS-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000262291787 135291523 /nfs/dbraw/zinc/29/15/23/135291523.db2.gz YQNMPUBZVMPMNP-SNVBAGLBSA-N 2 0 227.352 0.749 20 0 BCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](C)C[NH3+] ZINC000262322739 135293342 /nfs/dbraw/zinc/29/33/42/135293342.db2.gz FKAISXKLTYXEDR-IJLUTSLNSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000262336163 135293706 /nfs/dbraw/zinc/29/37/06/135293706.db2.gz HGWJTYRQXKABDG-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000262349084 135294432 /nfs/dbraw/zinc/29/44/32/135294432.db2.gz ITTVZBIRZWLGKM-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+]CCC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000262351570 135294695 /nfs/dbraw/zinc/29/46/95/135294695.db2.gz JCXNJZCCOBCGFU-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP [NH3+]C1(C(=O)NC[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000262404726 135295088 /nfs/dbraw/zinc/29/50/88/135295088.db2.gz AYZFWNKSBJZPAG-JTQLQIEISA-N 2 0 225.336 0.516 20 0 BCADRP C[NH2+]CCC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000262409637 135295631 /nfs/dbraw/zinc/29/56/31/135295631.db2.gz QMJXLQDSPGQHHO-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C1([NH3+])CCCC1 ZINC000262403289 135295682 /nfs/dbraw/zinc/29/56/82/135295682.db2.gz AFMNRKRTOQAMJM-SNVBAGLBSA-N 2 0 227.352 0.892 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000262376989 135298117 /nfs/dbraw/zinc/29/81/17/135298117.db2.gz MJZNWXLNCLXNCV-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262388597 135298740 /nfs/dbraw/zinc/29/87/40/135298740.db2.gz NZJWYVBBWUZUPK-NSHDSACASA-N 2 0 245.392 0.149 20 0 BCADRP C[NH2+]CCC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000262392090 135299016 /nfs/dbraw/zinc/29/90/16/135299016.db2.gz OHTHXYKEMAWVKR-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000262459476 135300154 /nfs/dbraw/zinc/30/01/54/135300154.db2.gz JCDBPMFLODLLBI-MMWGEVLESA-N 2 0 227.352 0.603 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000262454143 135300204 /nfs/dbraw/zinc/30/02/04/135300204.db2.gz KNQBSGNFQRBJQY-ZYHUDNBSSA-N 2 0 227.352 0.633 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000262472446 135301037 /nfs/dbraw/zinc/30/10/37/135301037.db2.gz YMGYKEKPEVPXAS-WPRPVWTQSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000262472445 135301181 /nfs/dbraw/zinc/30/11/81/135301181.db2.gz YMGYKEKPEVPXAS-WCBMZHEXSA-N 2 0 213.325 0.038 20 0 BCADRP CC(C)[C@H](C(=O)NCC1([NH3+])CCC1)[NH+](C)C ZINC000342600695 135302058 /nfs/dbraw/zinc/30/20/58/135302058.db2.gz WRLJVRAXBNKVGZ-SNVBAGLBSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](CC(=O)NC(C)(C)C[NH3+])[C@H]1CCC[NH2+]C1 ZINC000262510798 135303341 /nfs/dbraw/zinc/30/33/41/135303341.db2.gz NQLHHLDKNANCQC-MNOVXSKESA-N 2 0 241.379 0.866 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000262527348 135304103 /nfs/dbraw/zinc/30/41/03/135304103.db2.gz BDYSXLYGIBSWDA-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000262572125 135306645 /nfs/dbraw/zinc/30/66/45/135306645.db2.gz BQWQFWJFCRGHBD-GHMZBOCLSA-N 2 0 241.379 0.947 20 0 BCADRP C[NH+]1CCC(C)(CNC2=[NH+]CCCN2)CC1 ZINC000262596072 135307944 /nfs/dbraw/zinc/30/79/44/135307944.db2.gz WROFJLJQUMBMBR-UHFFFAOYSA-N 2 0 224.352 0.657 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)NCC[NH+](C)C ZINC000342663143 135308489 /nfs/dbraw/zinc/30/84/89/135308489.db2.gz LWTFFCOXZLPKTN-SNVBAGLBSA-N 2 0 230.356 0.187 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C[NH2+]CC1CC1 ZINC000262620284 135309023 /nfs/dbraw/zinc/30/90/23/135309023.db2.gz IVUPPBHSYMKQKI-NEPJUHHUSA-N 2 0 239.363 0.620 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000342750253 135311543 /nfs/dbraw/zinc/31/15/43/135311543.db2.gz MBVXHWPTXCKBHD-GARJFASQSA-N 2 0 227.352 0.346 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000342722492 135314557 /nfs/dbraw/zinc/31/45/57/135314557.db2.gz TWASYOTXBRKRPT-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000262707850 135314939 /nfs/dbraw/zinc/31/49/39/135314939.db2.gz BYEQODHXNKXILT-IRCOFANPSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000262716507 135315535 /nfs/dbraw/zinc/31/55/35/135315535.db2.gz DRRFCNXBSHWEMP-GARJFASQSA-N 2 0 227.352 0.748 20 0 BCADRP C[NH2+]CC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000262730055 135315757 /nfs/dbraw/zinc/31/57/57/135315757.db2.gz CTNIPTFNPSFOKI-LBPRGKRZSA-N 2 0 239.363 0.396 20 0 BCADRP C(NC1=[NH+]CCCN1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000262854536 135321688 /nfs/dbraw/zinc/32/16/88/135321688.db2.gz SSWLPCMDNLQDLT-LBPRGKRZSA-N 2 0 236.363 0.942 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1CC(F)(F)CN1 ZINC000262894841 135323301 /nfs/dbraw/zinc/32/33/01/135323301.db2.gz CVPHDFLRTBKVEQ-SECBINFHSA-N 2 0 249.305 0.442 20 0 BCADRP [NH3+]CCN1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000262940043 135324369 /nfs/dbraw/zinc/32/43/69/135324369.db2.gz ITCIJGBUSYEUPA-NSHDSACASA-N 2 0 225.336 0.183 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000263102399 135333042 /nfs/dbraw/zinc/33/30/42/135333042.db2.gz ZMWPRGSHIKGNAY-FOGDFJRCSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000263197145 135338386 /nfs/dbraw/zinc/33/83/86/135338386.db2.gz IOZMSOZQJQRIOR-WZRBSPASSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C1C[NH2+]C1 ZINC000164474269 135344687 /nfs/dbraw/zinc/34/46/87/135344687.db2.gz PQBYOKNTKILGRZ-ONGXEEELSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC[NH2+]1 ZINC000263304210 135345158 /nfs/dbraw/zinc/34/51/58/135345158.db2.gz XNVNXIKOQHVCNL-MDZLAQPJSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000263296632 135345442 /nfs/dbraw/zinc/34/54/42/135345442.db2.gz WKWCSQOZGLKMME-WZRBSPASSA-N 2 0 239.363 0.844 20 0 BCADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1CC[NH2+]1 ZINC000334343770 135364888 /nfs/dbraw/zinc/36/48/88/135364888.db2.gz MTIZSRKFULIFCE-LLVKDONJSA-N 2 0 249.289 0.772 20 0 BCADRP O=C([C@H]1CCC[NH2+]1)N1CCC2(C1)CC[NH2+]CC2 ZINC000334344365 135365046 /nfs/dbraw/zinc/36/50/46/135365046.db2.gz SLBAVHADZMJBSR-LLVKDONJSA-N 2 0 237.347 0.341 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(N)=O ZINC000080565273 135378846 /nfs/dbraw/zinc/37/88/46/135378846.db2.gz MUIVOPMODRBKAN-LLVKDONJSA-N 2 0 242.367 0.413 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000084382855 135470007 /nfs/dbraw/zinc/47/00/07/135470007.db2.gz LYGFCWXZJOQWON-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000165154347 135483573 /nfs/dbraw/zinc/48/35/73/135483573.db2.gz RZKRDASISKKFRR-NXEZZACHSA-N 2 0 227.352 0.522 20 0 BCADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCC1C[NH2+]C1 ZINC000334598011 135764325 /nfs/dbraw/zinc/76/43/25/135764325.db2.gz RKVWIOPPGHBNOH-RYUDHWBXSA-N 2 0 239.363 0.620 20 0 BCADRP Cc1ncccc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344529506 135775835 /nfs/dbraw/zinc/77/58/35/135775835.db2.gz IYBMETUYEPERKO-UHFFFAOYSA-N 2 0 249.358 0.936 20 0 BCADRP FC1(F)CC[NH2+]C[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000334833309 135817689 /nfs/dbraw/zinc/81/76/89/135817689.db2.gz OXXPLKXAMGMBOD-IUCAKERBSA-N 2 0 219.279 0.325 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000334954797 135849737 /nfs/dbraw/zinc/84/97/37/135849737.db2.gz XLBRMEFMWMXXIC-SNVBAGLBSA-N 2 0 240.351 0.213 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000366964946 135985823 /nfs/dbraw/zinc/98/58/23/135985823.db2.gz YQRWGXQSRXSRKH-MMWGEVLESA-N 2 0 243.326 0.272 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000335285057 136002208 /nfs/dbraw/zinc/00/22/08/136002208.db2.gz IOVCTQMLLVIIPY-WDEREUQCSA-N 2 0 240.351 0.213 20 0 BCADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCC[NH3+])C[C@H]1C ZINC000335296088 136006414 /nfs/dbraw/zinc/00/64/14/136006414.db2.gz RCXVYCBDBCBVCT-NXEZZACHSA-N 2 0 228.340 0.069 20 0 BCADRP C[C@@H]([NH3+])CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000335297394 136006741 /nfs/dbraw/zinc/00/67/41/136006741.db2.gz AEVVHKAOOVIEHB-MWLCHTKSSA-N 2 0 205.305 0.724 20 0 BCADRP CC(=O)[C@](C)(O)C[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000347816118 136013751 /nfs/dbraw/zinc/01/37/51/136013751.db2.gz VZPVVGBAZCLFBI-NWDGAFQWSA-N 2 0 228.336 0.210 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335308172 136027976 /nfs/dbraw/zinc/02/79/76/136027976.db2.gz HKDMUDZWULUEMD-SNVBAGLBSA-N 2 0 242.367 0.363 20 0 BCADRP [NH3+]C1(C(=O)NCc2cn3ccccc3n2)CCC1 ZINC000335348297 136067553 /nfs/dbraw/zinc/06/75/53/136067553.db2.gz JEOOIFXXCPXJPM-UHFFFAOYSA-N 2 0 244.298 0.832 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000348340614 136071309 /nfs/dbraw/zinc/07/13/09/136071309.db2.gz PODOVXLZSYTSSY-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]1C[C@H](C(=O)NCCC[NH+](C)C)CC[N@@H+]1C ZINC000348344398 136071585 /nfs/dbraw/zinc/07/15/85/136071585.db2.gz WKRUTQGCZVYABF-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000335357510 136074736 /nfs/dbraw/zinc/07/47/36/136074736.db2.gz BSVOLEXWTLMQDX-IUCAKERBSA-N 2 0 233.315 0.755 20 0 BCADRP C[C@H]1CN(C(=O)NCC(C)(C)[NH3+])[C@@H](C)C[NH2+]1 ZINC000335361721 136081360 /nfs/dbraw/zinc/08/13/60/136081360.db2.gz WFRKPLFWBSPZHZ-IUCAKERBSA-N 2 0 228.340 0.116 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000335368818 136082550 /nfs/dbraw/zinc/08/25/50/136082550.db2.gz PBEWQVDTVVZJMG-NWDGAFQWSA-N 2 0 239.363 0.396 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000335402009 136085127 /nfs/dbraw/zinc/08/51/27/136085127.db2.gz WZNSVXWRGSLFQE-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)NC1CC[NH2+]CC1 ZINC000335378085 136086411 /nfs/dbraw/zinc/08/64/11/136086411.db2.gz CBSXZTJVJZZZCJ-JQWIXIFHSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1CN(C(=O)C2([NH3+])CCC2)C[C@@]1(C)C[NH3+] ZINC000335391518 136090818 /nfs/dbraw/zinc/09/08/18/136090818.db2.gz XPNRBIXWVYEAND-MWLCHTKSSA-N 2 0 225.336 0.311 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000335396190 136092595 /nfs/dbraw/zinc/09/25/95/136092595.db2.gz RUENRNSKFULLEC-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)C1CC[NH2+]CC1 ZINC000335396926 136093234 /nfs/dbraw/zinc/09/32/34/136093234.db2.gz ARGLMUSZDAUVKD-PWSUYJOCSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000335363785 136094935 /nfs/dbraw/zinc/09/49/35/136094935.db2.gz RUBBAQBETVAWKE-NSHDSACASA-N 2 0 240.351 0.215 20 0 BCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)C[NH3+] ZINC000335562680 136106589 /nfs/dbraw/zinc/10/65/89/136106589.db2.gz KNFHWIPQDVFQMY-QWRGUYRKSA-N 2 0 227.352 0.380 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000094295685 487528592 /nfs/dbraw/zinc/52/85/92/487528592.db2.gz ITELZMBWONBAKZ-NSHDSACASA-N 2 0 239.363 0.811 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000054072626 322855150 /nfs/dbraw/zinc/85/51/50/322855150.db2.gz RFBNYSPUEOMWFN-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccnc(C[NH3+])c2)C[C@@H](C)[NH2+]1 ZINC000644087198 397754778 /nfs/dbraw/zinc/75/47/78/397754778.db2.gz WGOKEUIFCBIVFF-NXEZZACHSA-N 2 0 248.330 0.363 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000248858950 397766965 /nfs/dbraw/zinc/76/69/65/397766965.db2.gz LTWUUIMXVBYMTB-HBNTYKKESA-N 2 0 239.363 0.855 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000390211353 397883482 /nfs/dbraw/zinc/88/34/82/397883482.db2.gz VKKARADYTYTSND-VIFPVBQESA-N 2 0 213.325 0.357 20 0 BCADRP CC[N@H+](C)CCNC(=O)CCC[NH2+]C ZINC000054133327 397903331 /nfs/dbraw/zinc/90/33/31/397903331.db2.gz IFFCYHMENBKOQX-UHFFFAOYSA-N 2 0 201.314 0.054 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000054133126 397903430 /nfs/dbraw/zinc/90/34/30/397903430.db2.gz PNRDMHARSQSOFM-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)CCC[NH3+] ZINC000054133563 397904022 /nfs/dbraw/zinc/90/40/22/397904022.db2.gz HAFGSLFEFJMOEY-UHFFFAOYSA-N 2 0 201.314 0.182 20 0 BCADRP CN1CCC([NH2+][C@H]2CCc3c[nH]nc3C2)CC1 ZINC000334376947 397919470 /nfs/dbraw/zinc/91/94/70/397919470.db2.gz FQDTVHXAQPNHOQ-LBPRGKRZSA-N 2 0 234.347 0.951 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000372497454 398004156 /nfs/dbraw/zinc/00/41/56/398004156.db2.gz UENACKQRMLKBEF-NQBHXWOUSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000372508005 398005621 /nfs/dbraw/zinc/00/56/21/398005621.db2.gz UAAOXPXNZVIHNG-YFKTTZPYSA-N 2 0 239.363 0.841 20 0 BCADRP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372909974 398007676 /nfs/dbraw/zinc/00/76/76/398007676.db2.gz HWLGOJFLKYKOFL-WOPDTQHZSA-N 2 0 237.347 0.339 20 0 BCADRP CN(C(=O)[C@H]1CCC[NH2+]1)[C@H]1C[NH+]2CCC1CC2 ZINC000383224962 398010219 /nfs/dbraw/zinc/01/02/19/398010219.db2.gz BARNLVJCQLHITC-NEPJUHHUSA-N 2 0 237.347 0.291 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000648122267 398014553 /nfs/dbraw/zinc/01/45/53/398014553.db2.gz PYAJEWQDNCJSQX-IMSYWVGJSA-N 2 0 211.309 0.110 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000648122444 398016904 /nfs/dbraw/zinc/01/69/04/398016904.db2.gz YBTXVGVQLGGXRF-NOOOWODRSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000648122445 398016993 /nfs/dbraw/zinc/01/69/93/398016993.db2.gz YBTXVGVQLGGXRF-WISYIIOYSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000637845692 398029674 /nfs/dbraw/zinc/02/96/74/398029674.db2.gz BSMXBUSCZDHXPX-QWRGUYRKSA-N 2 0 229.368 0.849 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@](C)(O)C1 ZINC000383687793 398034812 /nfs/dbraw/zinc/03/48/12/398034812.db2.gz SEZGRKJIFLRHPC-STQMWFEESA-N 2 0 244.379 0.534 20 0 BCADRP CNC(=O)CCC[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000382761377 397971803 /nfs/dbraw/zinc/97/18/03/397971803.db2.gz YKBCWIGNDUKYLS-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP COC(C)(C)C[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000382749347 397972571 /nfs/dbraw/zinc/97/25/71/397972571.db2.gz CZVWWFQTKVJMAC-SNVBAGLBSA-N 2 0 200.326 0.953 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H](CO)C1 ZINC000398807689 398062859 /nfs/dbraw/zinc/06/28/59/398062859.db2.gz OKVXHEDPJLENCE-AGIUHOORSA-N 2 0 244.379 0.249 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)/C=C\C[NH+](C)C)CC[N@@H+]1C ZINC000491904976 398076966 /nfs/dbraw/zinc/07/69/66/398076966.db2.gz NAZOTLITDZQCFA-DUVUQDDDSA-N 2 0 239.363 0.703 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638244489 398080911 /nfs/dbraw/zinc/08/09/11/398080911.db2.gz WXPPEKNVFWRMJS-GXSJLCMTSA-N 2 0 225.336 0.668 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638244492 398081549 /nfs/dbraw/zinc/08/15/49/398081549.db2.gz WXPPEKNVFWRMJS-ONGXEEELSA-N 2 0 225.336 0.668 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000646703593 398084544 /nfs/dbraw/zinc/08/45/44/398084544.db2.gz QPWHTGBBKNVUBB-GHMZBOCLSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418419947 398088395 /nfs/dbraw/zinc/08/83/95/398088395.db2.gz ZVURQQWIYBVYMY-WDEREUQCSA-N 2 0 244.383 0.642 20 0 BCADRP COC[C@H]1C[C@@H](O)C[N@@H+]1CCn1ccnc1C ZINC000649764069 398091291 /nfs/dbraw/zinc/09/12/91/398091291.db2.gz PDFOLRKXZQCZQN-VXGBXAGGSA-N 2 0 239.319 0.273 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000128928554 398098647 /nfs/dbraw/zinc/09/86/47/398098647.db2.gz GTXGRFZNJJHLGE-FXPVBKGRSA-N 2 0 229.299 0.074 20 0 BCADRP C1=C(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)COCC1 ZINC000308844251 398097958 /nfs/dbraw/zinc/09/79/58/398097958.db2.gz ONKWNUCAGPGLCX-TXEJJXNPSA-N 2 0 208.305 0.484 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000309286928 398118218 /nfs/dbraw/zinc/11/82/18/398118218.db2.gz VHQIMNFTIBLWEO-ONGXEEELSA-N 2 0 225.336 0.147 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638507920 398109699 /nfs/dbraw/zinc/10/96/99/398109699.db2.gz JMBLKKGGDZXIHA-VHSXEESVSA-N 2 0 225.336 0.515 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000061995885 398110237 /nfs/dbraw/zinc/11/02/37/398110237.db2.gz JSGAZZFUVXBKKV-NSHDSACASA-N 2 0 227.352 0.428 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000309404702 171394103 /nfs/dbraw/zinc/39/41/03/171394103.db2.gz HWKRLHGCGVHGSA-JXUBOQSCSA-N 2 0 213.325 0.308 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)[NH+](C)C ZINC000613661449 398121907 /nfs/dbraw/zinc/12/19/07/398121907.db2.gz WUSBQTCGWXNHMF-IJLUTSLNSA-N 2 0 241.379 0.926 20 0 BCADRP CC[C@@H](C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)[NH+](C)C ZINC000613661446 398122258 /nfs/dbraw/zinc/12/22/58/398122258.db2.gz WUSBQTCGWXNHMF-GRYCIOLGSA-N 2 0 241.379 0.926 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649276662 398134926 /nfs/dbraw/zinc/13/49/26/398134926.db2.gz XXVDQMQHISRLAB-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000237258824 173348335 /nfs/dbraw/zinc/34/83/35/173348335.db2.gz RCCGCYCZRISDBG-LLVKDONJSA-N 2 0 213.325 0.244 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H](C[NH3+])C(C)C ZINC000309514690 173375120 /nfs/dbraw/zinc/37/51/20/173375120.db2.gz YHJGSSZMBLBYCV-UWVGGRQHSA-N 2 0 215.341 0.189 20 0 BCADRP COC[C@@H](C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)OC ZINC000662275920 487528911 /nfs/dbraw/zinc/52/89/11/487528911.db2.gz FPBUJNBHJOQGSR-OLZOCXBDSA-N 2 0 242.363 0.723 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000062076580 167098265 /nfs/dbraw/zinc/09/82/65/167098265.db2.gz SMOGBRDXFOTMAZ-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+]C[C@@H](CN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000258203233 322874630 /nfs/dbraw/zinc/87/46/30/322874630.db2.gz JKOHKMLERTYQKO-LBPRGKRZSA-N 2 0 237.322 0.773 20 0 BCADRP C[C@@H](CC(=O)NCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000087973449 322886521 /nfs/dbraw/zinc/88/65/21/322886521.db2.gz ZQTFSXVAXXSZDP-UWVGGRQHSA-N 2 0 213.325 0.087 20 0 BCADRP CC[C@H](CCO)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000094953528 487565074 /nfs/dbraw/zinc/56/50/74/487565074.db2.gz ONNXMUBVJGBJDQ-OLZOCXBDSA-N 2 0 244.379 0.441 20 0 BCADRP C[C@@H](CNC(=O)CC1([NH3+])CCC1)[NH+](C)C ZINC000086853381 487566749 /nfs/dbraw/zinc/56/67/49/487566749.db2.gz YPOOAVYKOVHTIX-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP C[NH+](C)CCCNC(=O)CC1([NH3+])CCC1 ZINC000086853056 487569185 /nfs/dbraw/zinc/56/91/85/487569185.db2.gz GNTZPYLXTKCQQE-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000227931395 487569449 /nfs/dbraw/zinc/56/94/49/487569449.db2.gz IEAMWGJAEZHTSG-WCQYABFASA-N 2 0 244.379 0.846 20 0 BCADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N)C[C@@]1(C)C[NH3+] ZINC000564799892 322902923 /nfs/dbraw/zinc/90/29/23/322902923.db2.gz VZQCMYMNCZKVLC-NOZJJQNGSA-N 2 0 248.330 0.551 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)NCC[NH3+])cc1 ZINC000228072518 487583268 /nfs/dbraw/zinc/58/32/68/487583268.db2.gz OMDPTVCSFQOUNZ-JTQLQIEISA-N 2 0 207.277 0.070 20 0 BCADRP CC(C)OCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000308656886 167244479 /nfs/dbraw/zinc/24/44/79/167244479.db2.gz OMNDOQIFDHZEBV-GHMZBOCLSA-N 2 0 200.326 0.951 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCOC1(C)C ZINC000383163430 487589665 /nfs/dbraw/zinc/58/96/65/487589665.db2.gz MFMROKLFSHIXFM-NEPJUHHUSA-N 2 0 244.379 0.845 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000655245855 487603029 /nfs/dbraw/zinc/60/30/29/487603029.db2.gz ZDIJGLIQTWEHTP-SDDRHHMPSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@@H](C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000674690144 487605989 /nfs/dbraw/zinc/60/59/89/487605989.db2.gz UZLRFSMLJGRFLJ-VWYCJHECSA-N 2 0 239.363 0.678 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662263402 409555674 /nfs/dbraw/zinc/55/56/74/409555674.db2.gz ARNAOUXCCJMYKQ-UTUOFQBUSA-N 3 0 239.363 0.177 20 0 BCADRP [NH3+]C1(C[NH2+]CCO[C@@H]2CC2(F)F)CCC1 ZINC000662263905 409556054 /nfs/dbraw/zinc/55/60/54/409556054.db2.gz AEQSKPIHJVAZLI-MRVPVSSYSA-N 2 0 220.263 0.882 20 0 BCADRP CN(C[C@H]1C[NH2+]CCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662264790 409560046 /nfs/dbraw/zinc/56/00/46/409560046.db2.gz LWSJEJNGWSAACL-ZGVCCVRISA-N 2 0 239.363 0.190 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@@H]1CCCN(C)C1=O ZINC000662266054 409565245 /nfs/dbraw/zinc/56/52/45/409565245.db2.gz WHDRPSMDERZXOK-GMTAPVOTSA-N 2 0 225.336 0.276 20 0 BCADRP Cc1cc(CN2CC[C@@H]([NH3+])[C@H](C)C2)ncn1 ZINC000662243195 409535227 /nfs/dbraw/zinc/53/52/27/409535227.db2.gz GQYLULQXQOTHBN-BXKDBHETSA-N 2 0 220.320 0.954 20 0 BCADRP C[C@@H]1CCCN(C[C@H]2C[NH2+]CCO2)[C@H]1C[NH3+] ZINC000662244080 409535919 /nfs/dbraw/zinc/53/59/19/409535919.db2.gz GKXOKXLLQCJRHM-UTUOFQBUSA-N 2 0 227.352 0.034 20 0 BCADRP COC[C@H](C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)OC ZINC000662245080 409538617 /nfs/dbraw/zinc/53/86/17/409538617.db2.gz MYPDJRRCWGGQLT-WOPDTQHZSA-N 2 0 230.352 0.707 20 0 BCADRP c1cn(C[C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)nn1 ZINC000662297042 409626593 /nfs/dbraw/zinc/62/65/93/409626593.db2.gz YIAJXGQXLJIFQT-VXGBXAGGSA-N 2 0 235.335 0.210 20 0 BCADRP C([C@H]1CNCCO1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000662274794 409584329 /nfs/dbraw/zinc/58/43/29/409584329.db2.gz XFCJYKYWTIIQKF-GFCCVEGCSA-N 3 0 239.363 0.050 20 0 BCADRP CO[C@H](C[NH2+]C1(CO)CC[NH2+]CC1)C1CCC1 ZINC000662282957 409606586 /nfs/dbraw/zinc/60/65/86/409606586.db2.gz FLTKYXVNSJEOTL-GFCCVEGCSA-N 2 0 242.363 0.506 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC1([NH3+])CCCCC1 ZINC000662393640 409695111 /nfs/dbraw/zinc/69/51/11/409695111.db2.gz SJOIFUUUNUUAFN-JTQLQIEISA-N 2 0 227.352 0.762 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000662403132 409699430 /nfs/dbraw/zinc/69/94/30/409699430.db2.gz JFTFQYDGKPXLGS-QCNOEVLYSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH2+]CCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662409440 409700516 /nfs/dbraw/zinc/70/05/16/409700516.db2.gz LWZNJWACSJGKDV-UHFFFAOYSA-N 2 0 219.288 0.239 20 0 BCADRP [NH3+]CC1(NC(=O)CC2([NH3+])CC2)CCCC1 ZINC000662417016 409705957 /nfs/dbraw/zinc/70/59/57/409705957.db2.gz MGPZKNPVAUOQSN-UHFFFAOYSA-N 2 0 211.309 0.256 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662423593 409708456 /nfs/dbraw/zinc/70/84/56/409708456.db2.gz NTWJERXICMDATN-ZJUUUORDSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@@H]1CCCN(C(=O)CC2([NH3+])CC2)[C@@H]1C[NH3+] ZINC000662425195 409709834 /nfs/dbraw/zinc/70/98/34/409709834.db2.gz YJMZFKZVYHXMHW-NXEZZACHSA-N 2 0 225.336 0.454 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000662383484 409686415 /nfs/dbraw/zinc/68/64/15/409686415.db2.gz LKSWXTCAWMZALI-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000662530126 409746459 /nfs/dbraw/zinc/74/64/59/409746459.db2.gz JBNNAHUYUDLIQR-NSHDSACASA-N 2 0 225.336 0.291 20 0 BCADRP [NH3+][C@@H](CNC(=O)c1cccc2c1C[NH2+]C2)C1CC1 ZINC000662550965 409751957 /nfs/dbraw/zinc/75/19/57/409751957.db2.gz MQDBDJJBBCWXOP-ZDUSSCGKSA-N 2 0 245.326 0.757 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000662556575 409758380 /nfs/dbraw/zinc/75/83/80/409758380.db2.gz ASNORQOKJNMLHU-UTLUCORTSA-N 2 0 213.325 0.099 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000662564108 409760557 /nfs/dbraw/zinc/76/05/57/409760557.db2.gz YGCDBRPLNJMAQM-AEJSXWLSSA-N 2 0 213.325 0.241 20 0 BCADRP Cc1nccn1CCN1CCO[C@@H]([C@H](C)O)C1 ZINC000660809888 409778447 /nfs/dbraw/zinc/77/84/47/409778447.db2.gz AIGRSHUAQCHGBQ-CMPLNLGQSA-N 2 0 239.319 0.273 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)CC[C@H]1CC[NH2+]C1 ZINC000662605922 409780956 /nfs/dbraw/zinc/78/09/56/409780956.db2.gz UMDLBFQKYOMZSK-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653113073 409821592 /nfs/dbraw/zinc/82/15/92/409821592.db2.gz SDYKTOARVPSJIX-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662683284 409832825 /nfs/dbraw/zinc/83/28/25/409832825.db2.gz QKOQYDZCRWUMER-ZRZGDYATSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000662682948 409832976 /nfs/dbraw/zinc/83/29/76/409832976.db2.gz KVGHCUKFFJMTRF-QCKFIBFJSA-N 2 0 249.358 0.326 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662681248 409833950 /nfs/dbraw/zinc/83/39/50/409833950.db2.gz DLBGHGKJVNPSAN-GHMZBOCLSA-N 2 0 239.363 0.442 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000662682951 409834141 /nfs/dbraw/zinc/83/41/41/409834141.db2.gz KVGHCUKFFJMTRF-QGPNDVEFSA-N 2 0 249.358 0.326 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000653125503 409836222 /nfs/dbraw/zinc/83/62/22/409836222.db2.gz ATTIWVJXZCLQJC-HBNTYKKESA-N 2 0 223.320 0.077 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653126873 409836769 /nfs/dbraw/zinc/83/67/69/409836769.db2.gz MRSDKYIHAPNYOC-WHOHXGKFSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CC[NH2+]1 ZINC000662695044 409843134 /nfs/dbraw/zinc/84/31/34/409843134.db2.gz WTOFBZQNOCIMNZ-NWDGAFQWSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H]2CCC[NH2+]CC2)CCC1 ZINC000653129246 409843616 /nfs/dbraw/zinc/84/36/16/409843616.db2.gz FHHRTLWONHOJTD-SNVBAGLBSA-N 2 0 225.336 0.374 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653130829 409846925 /nfs/dbraw/zinc/84/69/25/409846925.db2.gz CDXQEXXFHJLDSU-OLZOCXBDSA-N 2 0 249.358 0.553 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCC1=CC[NH2+]CC1 ZINC000653130948 409847411 /nfs/dbraw/zinc/84/74/11/409847411.db2.gz OHIWMDRHTGIJLF-NWDGAFQWSA-N 2 0 237.347 0.540 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000653132627 409849521 /nfs/dbraw/zinc/84/95/21/409849521.db2.gz RIEYFQLODNTTOM-QJPTWQEYSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000662623625 409791700 /nfs/dbraw/zinc/79/17/00/409791700.db2.gz ZKKVNGZMKYOTNE-SNVBAGLBSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000662622981 409792235 /nfs/dbraw/zinc/79/22/35/409792235.db2.gz VQSYJMYCGPUOPP-JTQLQIEISA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC000662629584 409801545 /nfs/dbraw/zinc/80/15/45/409801545.db2.gz AGATUDNMXPKOAY-IUCAKERBSA-N 2 0 201.314 0.038 20 0 BCADRP C[C@H](CCNC(=O)c1ccc(C[NH3+])o1)[NH+](C)C ZINC000662632383 409803978 /nfs/dbraw/zinc/80/39/78/409803978.db2.gz CTWSQLQRIZJXJT-SECBINFHSA-N 2 0 239.319 0.808 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000662633567 409807162 /nfs/dbraw/zinc/80/71/62/409807162.db2.gz MPHOOFVAOWEVKY-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H](CCNC(=O)CC1CC[NH2+]CC1)[NH+](C)C ZINC000662634917 409807225 /nfs/dbraw/zinc/80/72/25/409807225.db2.gz SVOSUTJOWCDUST-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653135750 409854530 /nfs/dbraw/zinc/85/45/30/409854530.db2.gz OSIRMDWUWFOSHU-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662782690 409912696 /nfs/dbraw/zinc/91/26/96/409912696.db2.gz FXVDQDAADFUOBH-HBNTYKKESA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662783070 409912899 /nfs/dbraw/zinc/91/28/99/409912899.db2.gz NNOXVOZTNAUCKI-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CC1([NH3+])CC1 ZINC000662791568 409923434 /nfs/dbraw/zinc/92/34/34/409923434.db2.gz JYCFSACJXGPOTJ-LLVKDONJSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000653137653 409858847 /nfs/dbraw/zinc/85/88/47/409858847.db2.gz KUFUGCBOIRMKCC-DMDPSCGWSA-N 2 0 239.363 0.701 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653145045 409867383 /nfs/dbraw/zinc/86/73/83/409867383.db2.gz WISSDCHKMHPAPS-UWVGGRQHSA-N 2 0 213.325 0.230 20 0 BCADRP CN(C(=O)[C@@H]1CCC[NH2+]CC1)C1(C[NH3+])CCC1 ZINC000653145897 409868720 /nfs/dbraw/zinc/86/87/20/409868720.db2.gz YKLMTAYEVAOYNM-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653146939 409872778 /nfs/dbraw/zinc/87/27/78/409872778.db2.gz GLFUJVDUIVUDDN-UTUOFQBUSA-N 2 0 239.363 0.620 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653147551 409872987 /nfs/dbraw/zinc/87/29/87/409872987.db2.gz PMFWZDWXICZYRS-GHMZBOCLSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662730787 409876256 /nfs/dbraw/zinc/87/62/56/409876256.db2.gz PLJZGOVPMJNANY-UTUOFQBUSA-N 2 0 241.379 0.864 20 0 BCADRP CC[C@@H]1CN(C(=O)CC2([NH3+])CC2)CC[C@H]1[NH3+] ZINC000662775923 409895305 /nfs/dbraw/zinc/89/53/05/409895305.db2.gz TVTOBYNLNPTBDV-NXEZZACHSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662774713 409895949 /nfs/dbraw/zinc/89/59/49/409895949.db2.gz QZJJONHVCWCBAY-SECBINFHSA-N 2 0 233.315 0.409 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCCC[NH2+]1 ZINC000662877030 409964380 /nfs/dbraw/zinc/96/43/80/409964380.db2.gz NLKPRBZELCIVHZ-YZRBJQDESA-N 2 0 223.320 0.078 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000662954193 409988004 /nfs/dbraw/zinc/98/80/04/409988004.db2.gz SRZUDLLAYRAELU-ZYHUDNBSSA-N 2 0 235.331 0.281 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000662953885 409988747 /nfs/dbraw/zinc/98/87/47/409988747.db2.gz QRDVUTKWTXPWDX-ZWNOBZJWSA-N 2 0 247.342 0.598 20 0 BCADRP CN(CC[NH+]1CCCCC1)C(=O)CC1([NH3+])CC1 ZINC000662834459 409942046 /nfs/dbraw/zinc/94/20/46/409942046.db2.gz VERJQEFRNLVIHU-UHFFFAOYSA-N 2 0 239.363 0.812 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@]1(C)CCC[NH2+]1 ZINC000662844511 409948733 /nfs/dbraw/zinc/94/87/33/409948733.db2.gz CCHNELRBWGSMBM-NSHDSACASA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000662839411 409949170 /nfs/dbraw/zinc/94/91/70/409949170.db2.gz QNXLPZNDGAFTQC-QWRGUYRKSA-N 2 0 237.347 0.611 20 0 BCADRP C[C@]1(NC(=O)c2ccc3c(c2)C[NH2+]C3)CC[NH2+]C1 ZINC000663010151 410027809 /nfs/dbraw/zinc/02/78/09/410027809.db2.gz IHNMYUGLTBRHPN-AWEZNQCLSA-N 2 0 245.326 0.772 20 0 BCADRP C[C@]1(NC(=O)CC[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000663011280 410030034 /nfs/dbraw/zinc/03/00/34/410030034.db2.gz OHOAVSIAJHNIHH-JQWIXIFHSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662970101 409998943 /nfs/dbraw/zinc/99/89/43/409998943.db2.gz UPJDSUVDUZCFFL-VIFPVBQESA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653162944 410106903 /nfs/dbraw/zinc/10/69/03/410106903.db2.gz WBLWNYKYGOCKNQ-OHBODLIOSA-N 2 0 237.347 0.465 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653163985 410112944 /nfs/dbraw/zinc/11/29/44/410112944.db2.gz CXUCHLIYOBSWIZ-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653166569 410132556 /nfs/dbraw/zinc/13/25/56/410132556.db2.gz NIJRIFRRAFPTHG-XWLWVQCSSA-N 2 0 227.352 0.746 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)C[NH3+] ZINC000653176305 410152942 /nfs/dbraw/zinc/15/29/42/410152942.db2.gz PVBZRKLRRGAKOL-UHFFFAOYSA-N 2 0 201.314 0.039 20 0 BCADRP O=C(NC1CC[NH2+]CC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655411175 410212805 /nfs/dbraw/zinc/21/28/05/410212805.db2.gz PWOPCUKYXYSZPB-WCQYABFASA-N 2 0 237.347 0.244 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655413149 410215944 /nfs/dbraw/zinc/21/59/44/410215944.db2.gz MMYPPVYSQDONAR-AAEUAGOBSA-N 2 0 239.363 0.492 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655414382 410218090 /nfs/dbraw/zinc/21/80/90/410218090.db2.gz MVVKUIRCXOYHED-JOYOIKCWSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]3C[C@H]3[NH2+]1)C2 ZINC000653193984 410160138 /nfs/dbraw/zinc/16/01/38/410160138.db2.gz PWTXGQKCJFEVSF-MOWSAHLDSA-N 2 0 249.358 0.324 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)[C@H](C)C[NH2+]C ZINC000653210935 410164764 /nfs/dbraw/zinc/16/47/64/410164764.db2.gz LXYAOZGAYVPSGF-LLVKDONJSA-N 2 0 249.358 0.878 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)C1([NH3+])CCC1 ZINC000653214465 410167527 /nfs/dbraw/zinc/16/75/27/410167527.db2.gz WREPMBJOGRGKHX-UHFFFAOYSA-N 2 0 247.342 0.904 20 0 BCADRP C[NH+]1CCC(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000653220606 410170090 /nfs/dbraw/zinc/17/00/90/410170090.db2.gz OWERRBZISBMQSJ-UHFFFAOYSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653223466 410171006 /nfs/dbraw/zinc/17/10/06/410171006.db2.gz OMHNEPRKDCNHES-MRVPVSSYSA-N 2 0 239.294 0.495 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCCC1(C[NH3+])CC1 ZINC000653221344 410171312 /nfs/dbraw/zinc/17/13/12/410171312.db2.gz SFUDJNANEVNFCV-VIFPVBQESA-N 2 0 213.325 0.359 20 0 BCADRP [NH3+]CC1(CCNC(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653222881 410171556 /nfs/dbraw/zinc/17/15/56/410171556.db2.gz SZSVJJBZDOILKE-NSHDSACASA-N 2 0 239.363 0.621 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000653233285 410175312 /nfs/dbraw/zinc/17/53/12/410175312.db2.gz UGINJSKXOOCHRY-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000653233286 410175380 /nfs/dbraw/zinc/17/53/80/410175380.db2.gz UGINJSKXOOCHRY-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000653233102 410175402 /nfs/dbraw/zinc/17/54/02/410175402.db2.gz QFCBTKCROWXMDX-WOPDTQHZSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000653232799 410175514 /nfs/dbraw/zinc/17/55/14/410175514.db2.gz JWCVZVQRSFTVBU-DCAQKATOSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000653239984 410181655 /nfs/dbraw/zinc/18/16/55/410181655.db2.gz IFCPNPUHGLQACH-HBNTYKKESA-N 2 0 227.352 0.557 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@H](C)C[NH3+] ZINC000309013134 410196801 /nfs/dbraw/zinc/19/68/01/410196801.db2.gz SPRVDGOOSUBMTE-SECBINFHSA-N 2 0 201.314 0.086 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC(CC[NH3+])CC1 ZINC000653256665 410240680 /nfs/dbraw/zinc/24/06/80/410240680.db2.gz XJQKWPKXIJJHDW-LLVKDONJSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]C1(CC(=O)N[C@H]2CCC[NH2+]C2)CCC1 ZINC000120369223 410282703 /nfs/dbraw/zinc/28/27/03/410282703.db2.gz JYDXAYTUOXLDMA-VIFPVBQESA-N 2 0 211.309 0.126 20 0 BCADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000663512623 410283232 /nfs/dbraw/zinc/28/32/32/410283232.db2.gz GVQQRLYRZZIEJZ-FIQHERPVSA-N 3 0 211.353 0.572 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707519 410337926 /nfs/dbraw/zinc/33/79/26/410337926.db2.gz HTQHPTFOMOLBMU-RWMBFGLXSA-N 3 0 241.379 0.554 20 0 BCADRP Cc1cn[nH]c1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713820 410345019 /nfs/dbraw/zinc/34/50/19/410345019.db2.gz DBDQWDHTHWXGSO-UHFFFAOYSA-N 2 0 208.309 0.937 20 0 BCADRP C[C@H]1CNC[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000650714245 410346896 /nfs/dbraw/zinc/34/68/96/410346896.db2.gz WZCIIPOMJCKCDX-MNOVXSKESA-N 2 0 211.353 0.703 20 0 BCADRP CCO[C@@H]1CN(CC(C)(C)[NH3+])C[C@H]1C[NH3+] ZINC000650714600 410348438 /nfs/dbraw/zinc/34/84/38/410348438.db2.gz RFMHWWADIKZWFD-NXEZZACHSA-N 2 0 215.341 0.019 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655453408 410297334 /nfs/dbraw/zinc/29/73/34/410297334.db2.gz JMRPYTIFPQTXMK-TZMCWYRMSA-N 2 0 249.358 0.412 20 0 BCADRP [NH3+]C1(C(=O)NCCC2CC[NH2+]CC2)CCCC1 ZINC000653267047 410310745 /nfs/dbraw/zinc/31/07/45/410310745.db2.gz KCZMWQNIHORNSJ-UHFFFAOYSA-N 2 0 239.363 0.764 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000650743180 410377542 /nfs/dbraw/zinc/37/75/42/410377542.db2.gz NVSWEPLSVASOCC-KKJSVHSVSA-N 2 0 237.347 0.228 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000650743183 410380888 /nfs/dbraw/zinc/38/08/88/410380888.db2.gz NVSWEPLSVASOCC-ZIQFBCGOSA-N 2 0 237.347 0.228 20 0 BCADRP [NH3+]CC1(CC[NH2+][C@H]2CCCS(=O)(=O)C2)CC1 ZINC000650745498 410383308 /nfs/dbraw/zinc/38/33/08/410383308.db2.gz HZMKPIQHBFWCKL-JTQLQIEISA-N 2 0 246.376 0.282 20 0 BCADRP CC1(C)NC(=O)CC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650747680 410387502 /nfs/dbraw/zinc/38/75/02/410387502.db2.gz FPRMQXVULLXTCI-JTQLQIEISA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H](C[C@@H]1COCCN1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650747566 410387679 /nfs/dbraw/zinc/38/76/79/410387679.db2.gz CJUSWFGHBIDXKW-VXGBXAGGSA-N 2 0 241.379 0.472 20 0 BCADRP C[C@@H]1CCNC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650748503 410390829 /nfs/dbraw/zinc/39/08/29/410390829.db2.gz VLNYSNSIZBHPCM-GHMZBOCLSA-N 2 0 211.353 0.703 20 0 BCADRP Cn1cc(C[NH2+]C2CCC(C[NH3+])CC2)nn1 ZINC000650759010 410406832 /nfs/dbraw/zinc/40/68/32/410406832.db2.gz BEXYKBLLWNYONK-UHFFFAOYSA-N 2 0 223.324 0.422 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763544 410414673 /nfs/dbraw/zinc/41/46/73/410414673.db2.gz DBUNSFKVDUQGFE-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000655460149 410570974 /nfs/dbraw/zinc/57/09/74/410570974.db2.gz WMRPGBPAPZPYPO-GFQSEFKGSA-N 2 0 249.358 0.054 20 0 BCADRP [NH3+]CCCCC(=O)NCCC1CC[NH2+]CC1 ZINC000653272360 410538184 /nfs/dbraw/zinc/53/81/84/410538184.db2.gz KBAMMRARHYNCOE-UHFFFAOYSA-N 2 0 227.352 0.621 20 0 BCADRP CN(C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)C1CC([NH3+])C1 ZINC000655465223 410662681 /nfs/dbraw/zinc/66/26/81/410662681.db2.gz CXHWMXFMUWASFX-TWHWIZHFSA-N 2 0 237.347 0.324 20 0 BCADRP COC[C@H](CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)OC ZINC000665234369 410724604 /nfs/dbraw/zinc/72/46/04/410724604.db2.gz BUYUPWBAHJVMMI-SDDRHHMPSA-N 2 0 230.352 0.768 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1NCC1([NH3+])CCCC1 ZINC000665248840 410731765 /nfs/dbraw/zinc/73/17/65/410731765.db2.gz DGASLIZPQNULPE-WDEREUQCSA-N 2 0 211.353 0.798 20 0 BCADRP CC[C@@H](O)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000665262107 410734144 /nfs/dbraw/zinc/73/41/44/410734144.db2.gz UJIQVJNPPIRHIH-LNFKQOIKSA-N 2 0 216.325 0.099 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCCC[N@H+](C)CC(C)C ZINC000655481782 410734846 /nfs/dbraw/zinc/73/48/46/410734846.db2.gz KBYOPWYCDAOBQO-NSHDSACASA-N 2 0 229.368 0.688 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000655483142 410738804 /nfs/dbraw/zinc/73/88/04/410738804.db2.gz TWZHUQZDTQAFPL-VHSXEESVSA-N 2 0 225.336 0.385 20 0 BCADRP Cc1cncc(CC[NH2+][C@H](C)C2C[NH2+]C2)n1 ZINC000665274003 410742863 /nfs/dbraw/zinc/74/28/63/410742863.db2.gz HHGPUXOSWIAZJC-SNVBAGLBSA-N 2 0 220.320 0.525 20 0 BCADRP C[C@H](NCC12CC(C1)C[NH2+]2)[C@H]1CCC[NH2+]1 ZINC000665280039 410755139 /nfs/dbraw/zinc/75/51/39/410755139.db2.gz RLMPQLJUTNTFGT-UZEXVOJHSA-N 2 0 209.337 0.469 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000655485720 410779361 /nfs/dbraw/zinc/77/93/61/410779361.db2.gz JFGRQRQAIZTVHR-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP c1ncn(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000394303698 410784832 /nfs/dbraw/zinc/78/48/32/410784832.db2.gz SYHZHBFXJBEZMA-STQMWFEESA-N 2 0 249.362 0.885 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000394672045 410817430 /nfs/dbraw/zinc/81/74/30/410817430.db2.gz XWMIROLHVABTDA-GARJFASQSA-N 2 0 216.325 0.101 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000655489209 410795305 /nfs/dbraw/zinc/79/53/05/410795305.db2.gz NCCDVPGLXLOXAH-OUAUKWLOSA-N 2 0 239.363 0.441 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000655489001 410796064 /nfs/dbraw/zinc/79/60/64/410796064.db2.gz KXXPTNASPLKQTC-PHIMTYICSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000655488568 410797988 /nfs/dbraw/zinc/79/79/88/410797988.db2.gz CNJVDVTUJWTQJQ-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000655488729 410800303 /nfs/dbraw/zinc/80/03/03/410800303.db2.gz FOXHWLXFMCRXDH-PHIMTYICSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655488845 410800374 /nfs/dbraw/zinc/80/03/74/410800374.db2.gz HCJMKBXTJSZRET-MXWKQRLJSA-N 2 0 227.352 0.298 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000040673762 410885840 /nfs/dbraw/zinc/88/58/40/410885840.db2.gz KQCICCNIEJTDAY-ZYHUDNBSSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H](C(=O)N[C@H](C)C1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000396476180 410879424 /nfs/dbraw/zinc/87/94/24/410879424.db2.gz WQMSOILUEFCNLN-OUAUKWLOSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396447507 410883456 /nfs/dbraw/zinc/88/34/56/410883456.db2.gz FWMHYIODXCYWAC-UWVGGRQHSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@H](NC(=O)CC(C)(C)[NH3+])C1CC[NH+](C)CC1 ZINC000396478523 410884030 /nfs/dbraw/zinc/88/40/30/410884030.db2.gz YVKNTBJAVNZBTN-JTQLQIEISA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)N1C[C@@H]([NH2+][C@H]2CN(C)C[C@H]2C)CC1=O ZINC000358150684 167030637 /nfs/dbraw/zinc/03/06/37/167030637.db2.gz ILZNLWLQSIZDSQ-WOPDTQHZSA-N 2 0 239.363 0.535 20 0 BCADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)[NH3+])CC2 ZINC000236813477 167035439 /nfs/dbraw/zinc/03/54/39/167035439.db2.gz NKUZSVLYKJCLPC-UTUOFQBUSA-N 2 0 239.363 0.807 20 0 BCADRP CC(C)[NH2+]CC(=O)NC1CC[NH+](C)CC1 ZINC000037477129 167097962 /nfs/dbraw/zinc/09/79/62/167097962.db2.gz XUPGQVZFNDDFPI-UHFFFAOYSA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000052379266 167113545 /nfs/dbraw/zinc/11/35/45/167113545.db2.gz BPJSLEWKLRJRQA-LBPRGKRZSA-N 2 0 213.369 0.868 20 0 BCADRP CC(C)[NH2+]Cc1cn(CC[NH+]2CCCC2)nn1 ZINC000052377440 167122072 /nfs/dbraw/zinc/12/20/72/167122072.db2.gz PGLXYYBUKWSJBM-UHFFFAOYSA-N 2 0 237.351 0.872 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C1CC[NH2+]CC1 ZINC000041680053 169784631 /nfs/dbraw/zinc/78/46/31/169784631.db2.gz HVHSIPIMTRBBIM-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000041680059 169784976 /nfs/dbraw/zinc/78/49/76/169784976.db2.gz FJMFHHTYELLULC-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H](c1ccncc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397050867 410912835 /nfs/dbraw/zinc/91/28/35/410912835.db2.gz RAZNTAZBQUTIKA-NSHDSACASA-N 2 0 235.331 0.928 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000309268610 410913921 /nfs/dbraw/zinc/91/39/21/410913921.db2.gz KFQMKGJOZHYNPK-SECBINFHSA-N 2 0 213.325 0.372 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000041680058 169788090 /nfs/dbraw/zinc/78/80/90/169788090.db2.gz CBPGIOGPKTVYAA-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@H](C)C[NH3+])[NH+](C)C ZINC000236711178 167343076 /nfs/dbraw/zinc/34/30/76/167343076.db2.gz LKLIFBYWLBFRAT-ZJUUUORDSA-N 2 0 215.341 0.284 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH+](C)C)[NH+](C)C ZINC000346143968 167344149 /nfs/dbraw/zinc/34/41/49/167344149.db2.gz TVLPLSXPUTXQSK-MNOVXSKESA-N 2 0 229.368 0.639 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH3+])[NH+](C)C ZINC000309649487 167345168 /nfs/dbraw/zinc/34/51/68/167345168.db2.gz XGQZTVJNWWYAQI-BDAKNGLRSA-N 2 0 201.314 0.036 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061644081 167394598 /nfs/dbraw/zinc/39/45/98/167394598.db2.gz OBVFOPDFXFLNJC-NWDGAFQWSA-N 2 0 241.379 0.770 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000340155000 167395745 /nfs/dbraw/zinc/39/57/45/167395745.db2.gz NJVKIUUZVAZQRF-IJLUTSLNSA-N 2 0 241.379 0.803 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000309248636 167395917 /nfs/dbraw/zinc/39/59/17/167395917.db2.gz DEZBGONPVRBWSL-SECBINFHSA-N 2 0 213.325 0.215 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])CC ZINC000041680305 410933644 /nfs/dbraw/zinc/93/36/44/410933644.db2.gz YDVBRMPGFFODMX-JTQLQIEISA-N 2 0 215.341 0.524 20 0 BCADRP CCO[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000042425537 411005533 /nfs/dbraw/zinc/00/55/33/411005533.db2.gz UFEKXGIPCBOPQU-ZDUSSCGKSA-N 2 0 241.379 0.393 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000062972563 169796700 /nfs/dbraw/zinc/79/67/00/169796700.db2.gz BLAHZEGQBYVESY-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)C1(CNC(=O)[C@H]2CCC[NH2+]2)CCCC1 ZINC000110374322 411085579 /nfs/dbraw/zinc/08/55/79/411085579.db2.gz QUUCDXKJZUDXHA-LLVKDONJSA-N 2 0 239.363 0.729 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)CC[NH2+]C)C1 ZINC000062972603 169797497 /nfs/dbraw/zinc/79/74/97/169797497.db2.gz YQNNGBWPQWUXRN-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP Cn1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nn1 ZINC000400935005 411163092 /nfs/dbraw/zinc/16/30/92/411163092.db2.gz KHIAOYCMXHXFPS-OUAUKWLOSA-N 2 0 235.335 0.293 20 0 BCADRP CC[NH+]1CCC(CNC(=O)C[C@H](C)[NH3+])CC1 ZINC000044526773 411137232 /nfs/dbraw/zinc/13/72/32/411137232.db2.gz OGXFDFDXXZCAHD-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514362 411137285 /nfs/dbraw/zinc/13/72/85/411137285.db2.gz UHSGCBKDTGYWKT-JTQLQIEISA-N 2 0 241.379 0.960 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538983 411137571 /nfs/dbraw/zinc/13/75/71/411137571.db2.gz WRYCAMYTUFDAMG-WCQYABFASA-N 2 0 241.379 0.962 20 0 BCADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](COC)OC)C1 ZINC000659989626 411158661 /nfs/dbraw/zinc/15/86/61/411158661.db2.gz PWYUNFPPFUIAAB-CHWSQXEVSA-N 2 0 244.379 0.921 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000309520344 411159609 /nfs/dbraw/zinc/15/96/09/411159609.db2.gz ZVVILCXIDXLPSM-UTLUCORTSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)NCC1([NH3+])CCCC1 ZINC000659553141 411160754 /nfs/dbraw/zinc/16/07/54/411160754.db2.gz MFYRYDBPMHZWSG-JTQLQIEISA-N 2 0 242.367 0.685 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC(C)([NH3+])CC1 ZINC000309369590 411107474 /nfs/dbraw/zinc/10/74/74/411107474.db2.gz BSUWRKWWGXIKGJ-VIFPVBQESA-N 2 0 213.325 0.454 20 0 BCADRP NC(=O)C[N@H+](CC1CC[NH2+]CC1)C1CCCC1 ZINC000043497707 411119680 /nfs/dbraw/zinc/11/96/80/411119680.db2.gz AEPWZHRRZIFXGI-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP CN1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1=O ZINC000401000863 411168327 /nfs/dbraw/zinc/16/83/27/411168327.db2.gz MRLPUHIKKJWBLQ-DDHJBXDOSA-N 2 0 237.347 0.195 20 0 BCADRP OC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC[NH2+]C1 ZINC000309544501 411169297 /nfs/dbraw/zinc/16/92/97/411169297.db2.gz ZFVPGBTUTIWAMC-YIBTVLSRSA-N 2 0 210.321 0.584 20 0 BCADRP [NH3+]C[C@H](NC(=O)C1([NH3+])CC2(CCC2)C1)C1CC1 ZINC000659289571 411169396 /nfs/dbraw/zinc/16/93/96/411169396.db2.gz CURLSOUMGSAEJZ-JTQLQIEISA-N 2 0 237.347 0.502 20 0 BCADRP [NH3+]CC1(CCNC(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000652211725 411172534 /nfs/dbraw/zinc/17/25/34/411172534.db2.gz IWZLLQZQQOTECX-JTQLQIEISA-N 2 0 240.351 0.152 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)NC[C@H](C)[NH3+] ZINC000652217943 411173347 /nfs/dbraw/zinc/17/33/47/411173347.db2.gz PKXKPNLLXUZWMY-NSHDSACASA-N 2 0 244.383 0.611 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000652216644 411173395 /nfs/dbraw/zinc/17/33/95/411173395.db2.gz AVQYJYADXZWDGS-VIFPVBQESA-N 2 0 228.340 0.104 20 0 BCADRP CC(=O)NCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401035117 411173733 /nfs/dbraw/zinc/17/37/33/411173733.db2.gz RDEOKKNNPZLOLC-YNEHKIRRSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)NCCC1CC[NH2+]CC1 ZINC000652209950 411173971 /nfs/dbraw/zinc/17/39/71/411173971.db2.gz ARKADLVPYQSCIH-SNVBAGLBSA-N 2 0 242.367 0.270 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659564046 411176868 /nfs/dbraw/zinc/17/68/68/411176868.db2.gz DEVQCEBJERKYHJ-DCAQKATOSA-N 2 0 240.351 0.117 20 0 BCADRP Cn1ccnc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401105742 411176953 /nfs/dbraw/zinc/17/69/53/411176953.db2.gz FIKNENHUGJUAFV-GRYCIOLGSA-N 2 0 234.347 0.898 20 0 BCADRP Cn1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000401146125 411177629 /nfs/dbraw/zinc/17/76/29/411177629.db2.gz VGAIXMBVPIVBHU-RWMBFGLXSA-N 2 0 234.347 0.898 20 0 BCADRP C[C@H](CO)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401165891 411179111 /nfs/dbraw/zinc/17/91/11/411179111.db2.gz VDQPSEOYFAMMQZ-NNYUYHANSA-N 2 0 212.337 0.593 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCNC(=O)C2)CC1 ZINC000111826521 411181473 /nfs/dbraw/zinc/18/14/73/411181473.db2.gz XJVJTLYGTVBSQZ-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP COCCN(C)C[C@@H](O)C[NH+]1CC(C2CC2)C1 ZINC000656152601 411186925 /nfs/dbraw/zinc/18/69/25/411186925.db2.gz ZLMCYLIHZJXMPN-CYBMUJFWSA-N 2 0 242.363 0.267 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655516807 411186918 /nfs/dbraw/zinc/18/69/18/411186918.db2.gz ZESVWLBAJRXMLZ-RQJHMYQMSA-N 2 0 241.257 0.380 20 0 BCADRP CCOCC[C@@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656153713 411188222 /nfs/dbraw/zinc/18/82/22/411188222.db2.gz KUAGYCCAXCRLHW-FRRDWIJNSA-N 2 0 244.379 0.704 20 0 BCADRP C[C@@]1(C(=O)N2CCC[NH2+]CC2)CCC[NH2+]C1 ZINC000062853863 411188249 /nfs/dbraw/zinc/18/82/49/411188249.db2.gz QPAIILWOGYPWAB-GFCCVEGCSA-N 2 0 225.336 0.198 20 0 BCADRP CC[C@@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656154525 411188250 /nfs/dbraw/zinc/18/82/50/411188250.db2.gz XDSMGYKRGHRUFO-OUAUKWLOSA-N 2 0 200.326 0.687 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657986215 411189994 /nfs/dbraw/zinc/18/99/94/411189994.db2.gz CZYCYOLXLUEHEJ-LBPRGKRZSA-N 2 0 242.363 0.866 20 0 BCADRP CN(C(=O)C1([NH3+])CC2(CCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000659296741 411244521 /nfs/dbraw/zinc/24/45/21/411244521.db2.gz OSDWHEZLVCZPSV-SNVBAGLBSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000656193016 411198489 /nfs/dbraw/zinc/19/84/89/411198489.db2.gz HVIDDIDJEZTTJR-VLEAKVRGSA-N 2 0 215.316 0.546 20 0 BCADRP C[C@H](O)C[N@H+](C[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000656194176 411200014 /nfs/dbraw/zinc/20/00/14/411200014.db2.gz BSFNZJJPSPAKJV-JQWIXIFHSA-N 2 0 212.337 0.831 20 0 BCADRP [NH3+]C[C@@H](NCC1(C[NH3+])CC1)C(F)(F)F ZINC000656194789 411200628 /nfs/dbraw/zinc/20/06/28/411200628.db2.gz OPFQEUXDVBBTDG-ZCFIWIBFSA-N 2 0 211.231 0.205 20 0 BCADRP CC(C)C[C@H]([NH3+])CN[C@@H](C[NH3+])C(F)(F)F ZINC000656194873 411200663 /nfs/dbraw/zinc/20/06/63/411200663.db2.gz PWKLJTGZUPKIIX-YUMQZZPRSA-N 2 0 227.274 0.839 20 0 BCADRP [NH3+]CC1(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000656193288 411200800 /nfs/dbraw/zinc/20/08/00/411200800.db2.gz DXOLBRLGCVSSQH-WDEREUQCSA-N 3 0 211.353 0.975 20 0 BCADRP [NH3+]C[C@@H](NCC1CC[NH2+]CC1)C(F)(F)F ZINC000656194804 411201043 /nfs/dbraw/zinc/20/10/43/411201043.db2.gz OUFJASAUBRFHSY-MRVPVSSYSA-N 2 0 225.258 0.465 20 0 BCADRP [NH3+]CC1(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000656193285 411201086 /nfs/dbraw/zinc/20/10/86/411201086.db2.gz DXOLBRLGCVSSQH-GHMZBOCLSA-N 3 0 211.353 0.975 20 0 BCADRP CCc1nncn1CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656196788 411201970 /nfs/dbraw/zinc/20/19/70/411201970.db2.gz HIHJSKVHZZPCGL-QWRGUYRKSA-N 2 0 237.351 0.700 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000424190570 411245231 /nfs/dbraw/zinc/24/52/31/411245231.db2.gz MQXDMBXNQMVQDA-WHOHXGKFSA-N 2 0 237.347 0.182 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656200032 411204353 /nfs/dbraw/zinc/20/43/53/411204353.db2.gz DUEFXVLWASTMMU-IMSYWVGJSA-N 2 0 211.309 0.110 20 0 BCADRP CN(Cc1ccc2c(c1)C[NH2+]CC2)C[C@H](O)C[NH3+] ZINC000652341097 411206106 /nfs/dbraw/zinc/20/61/06/411206106.db2.gz BPGDVOXUETYJMD-CQSZACIVSA-N 2 0 249.358 0.084 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000659292168 411207253 /nfs/dbraw/zinc/20/72/53/411207253.db2.gz BNOOJTQMIQVDRS-JTQLQIEISA-N 2 0 213.325 0.324 20 0 BCADRP COCC[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347021 411209166 /nfs/dbraw/zinc/20/91/66/411209166.db2.gz OFXUJESIWMJSBK-YNEHKIRRSA-N 2 0 242.363 0.851 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000335479367 411210786 /nfs/dbraw/zinc/21/07/86/411210786.db2.gz MXWZPFISUKZLDY-VXGBXAGGSA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000659293734 411214526 /nfs/dbraw/zinc/21/45/26/411214526.db2.gz GZCCBNUVWLEXCG-QWRGUYRKSA-N 2 0 227.352 0.489 20 0 BCADRP CCO[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000652356075 411214782 /nfs/dbraw/zinc/21/47/82/411214782.db2.gz RKFZXDLGNZEMEA-JHJVBQTASA-N 3 0 241.379 0.282 20 0 BCADRP C[C@@H](O)C[N@H+](CCn1ccnc1)C1CC1 ZINC000653902583 411217117 /nfs/dbraw/zinc/21/71/17/411217117.db2.gz WTRNQKRQDRIPAD-SNVBAGLBSA-N 2 0 209.293 0.728 20 0 BCADRP CO[C@](C)(CO)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000655785314 411226840 /nfs/dbraw/zinc/22/68/40/411226840.db2.gz LCYKFCIEQAMUJT-WOPDTQHZSA-N 2 0 230.352 0.456 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000659296333 411238693 /nfs/dbraw/zinc/23/86/93/411238693.db2.gz XTEWUKMTFKOOOM-JTQLQIEISA-N 2 0 213.325 0.243 20 0 BCADRP COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@H](C)C1 ZINC000310567395 411241447 /nfs/dbraw/zinc/24/14/47/411241447.db2.gz YCWPPEPBPNUIDK-QWHCGFSZSA-N 2 0 244.379 0.657 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400940704 411165478 /nfs/dbraw/zinc/16/54/78/411165478.db2.gz LQCRMSINTIMPRK-NNYUYHANSA-N 2 0 239.363 0.489 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000309409471 411242131 /nfs/dbraw/zinc/24/21/31/411242131.db2.gz IKJYCTXVZFAWPR-AEJSXWLSSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400951530 411166615 /nfs/dbraw/zinc/16/66/15/411166615.db2.gz HPDCGIVJZHMVND-LMLFDSFASA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)C[NH+](C)C ZINC000652522420 411264849 /nfs/dbraw/zinc/26/48/49/411264849.db2.gz HKNRCZJAUGWNQP-UHFFFAOYSA-N 2 0 229.368 0.642 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000062858943 411327302 /nfs/dbraw/zinc/32/73/02/411327302.db2.gz XMLZEYSQEANKNE-DGCLKSJQSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]([NH3+])Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000656463901 411271696 /nfs/dbraw/zinc/27/16/96/411271696.db2.gz QTGLLHZZLCZNIZ-NXEZZACHSA-N 2 0 223.324 0.167 20 0 BCADRP C[C@@H]([NH3+])Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000656465073 411272636 /nfs/dbraw/zinc/27/26/36/411272636.db2.gz ZPMCEPJIGWVWMM-BDAKNGLRSA-N 2 0 209.297 0.092 20 0 BCADRP [NH3+]CCCCCn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000656452366 411273710 /nfs/dbraw/zinc/27/37/10/411273710.db2.gz FEWUOCQFOMQBOU-NSHDSACASA-N 2 0 237.351 0.874 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC000659641000 411276053 /nfs/dbraw/zinc/27/60/53/411276053.db2.gz PFUKMCRHEJXSTO-SNVBAGLBSA-N 2 0 230.356 0.187 20 0 BCADRP Cn1cncc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401668953 411276697 /nfs/dbraw/zinc/27/66/97/411276697.db2.gz JTMZOZVFVCWMQG-FRRDWIJNSA-N 2 0 248.374 0.940 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)C[NH2+]C ZINC000659642457 411277360 /nfs/dbraw/zinc/27/73/60/411277360.db2.gz KOVQFQPUKLEUSO-QWRGUYRKSA-N 2 0 242.367 0.330 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000659642588 411277434 /nfs/dbraw/zinc/27/74/34/411277434.db2.gz YCONLZLTCCMCCS-WDEREUQCSA-N 2 0 242.367 0.187 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000659642587 411277505 /nfs/dbraw/zinc/27/75/05/411277505.db2.gz YCONLZLTCCMCCS-QWRGUYRKSA-N 2 0 242.367 0.187 20 0 BCADRP C[NH2+][C@@H](C)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656467001 411279357 /nfs/dbraw/zinc/27/93/57/411279357.db2.gz IXLCSEGBNRPWBZ-IUCAKERBSA-N 2 0 209.297 0.483 20 0 BCADRP CCC[C@H]([NH3+])c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000656467844 411279554 /nfs/dbraw/zinc/27/95/54/411279554.db2.gz GGSIBJINVPOCKX-IUCAKERBSA-N 2 0 209.297 0.612 20 0 BCADRP [NH3+]Cc1ccc(-c2cn([C@@H]3CC[NH2+]C3)nn2)cc1 ZINC000656466821 411279685 /nfs/dbraw/zinc/27/96/85/411279685.db2.gz JBCSJGFGYOEHLX-GFCCVEGCSA-N 2 0 243.314 0.938 20 0 BCADRP c1c(C[C@H]2CCC[NH2+]C2)nnn1[C@H]1CCC[NH2+]C1 ZINC000656467364 411279786 /nfs/dbraw/zinc/27/97/86/411279786.db2.gz OUPKNFYJPBRFGL-YPMHNXCESA-N 2 0 249.362 0.745 20 0 BCADRP C[C@H]1CC[C@@H](C[N@H+](C)CCN2CC[NH2+]CC2)O1 ZINC000129383793 411280647 /nfs/dbraw/zinc/28/06/47/411280647.db2.gz YUQYMVZRTCEESC-STQMWFEESA-N 2 0 241.379 0.391 20 0 BCADRP [NH3+]C1CCC(NC(=O)CC2CC[NH2+]CC2)CC1 ZINC000051694864 411281903 /nfs/dbraw/zinc/28/19/03/411281903.db2.gz PCMWWGBIIUJJSR-UHFFFAOYSA-N 2 0 239.363 0.762 20 0 BCADRP C(C1CC1)[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000051889660 411284867 /nfs/dbraw/zinc/28/48/67/411284867.db2.gz IDBQOCVDWHVUBQ-ZDUSSCGKSA-N 2 0 223.364 0.624 20 0 BCADRP c1[nH+]cn2cc(CNC3=[NH+]CCCN3)ccc12 ZINC000656508564 411288698 /nfs/dbraw/zinc/28/86/98/411288698.db2.gz NFVMTZZVYCONLM-UHFFFAOYSA-N 2 0 229.287 0.773 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC1=[NH+]CCCN1 ZINC000656508557 411288763 /nfs/dbraw/zinc/28/87/63/411288763.db2.gz MRZYOKZMWANCAK-SNVBAGLBSA-N 2 0 224.352 0.798 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062899024 411329498 /nfs/dbraw/zinc/32/94/98/411329498.db2.gz QFAGZUYHVPHUGP-ZYHUDNBSSA-N 2 0 225.336 0.196 20 0 BCADRP CCCN(C(=O)N[C@H](C)C[NH2+]C)[C@H]1CC[NH2+]C1 ZINC000659643286 411293455 /nfs/dbraw/zinc/29/34/55/411293455.db2.gz PWAFFXBATJHGAD-MNOVXSKESA-N 2 0 242.367 0.378 20 0 BCADRP CCCN(C[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000309853154 411295973 /nfs/dbraw/zinc/29/59/73/411295973.db2.gz ZBDFLNFKPUIZTL-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000659645639 411299316 /nfs/dbraw/zinc/29/93/16/411299316.db2.gz KLZSCQQPTWLYMF-QWRGUYRKSA-N 2 0 242.367 0.330 20 0 BCADRP [NH3+]C1(C(=O)NCC2=CC[NH2+]CC2)CC2(CCC2)C1 ZINC000659306947 411303531 /nfs/dbraw/zinc/30/35/31/411303531.db2.gz JZSMAHWPKJZRQU-UHFFFAOYSA-N 2 0 249.358 0.684 20 0 BCADRP C[N@@H+]1CCC[C@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629558996 411324559 /nfs/dbraw/zinc/32/45/59/411324559.db2.gz BSKDXALCLPVHSQ-QWHCGFSZSA-N 2 0 241.379 0.127 20 0 BCADRP C[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])CC[NH2+]1 ZINC000309800656 411249018 /nfs/dbraw/zinc/24/90/18/411249018.db2.gz RCZCFYOBRIAVEO-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]([NH2+]C/C=C\CO)C1CC[NH+](C)CC1 ZINC000658131726 411255332 /nfs/dbraw/zinc/25/53/32/411255332.db2.gz DBZYDSAALRJPLN-DLRQAJBASA-N 2 0 212.337 0.855 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CC1([NH3+])CCC1 ZINC000653445689 411257031 /nfs/dbraw/zinc/25/70/31/411257031.db2.gz PIZYMSBULKNYER-NXEZZACHSA-N 2 0 225.336 0.596 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCC(C)(C)[NH3+] ZINC000653445786 411257326 /nfs/dbraw/zinc/25/73/26/411257326.db2.gz WIEGOEBRBNXYRJ-NXEZZACHSA-N 2 0 227.352 0.842 20 0 BCADRP Nc1nc(N2C[C@@H]3C[C@H]2C[NH2+]3)c2c([nH+]1)CCCC2 ZINC000114196381 411257609 /nfs/dbraw/zinc/25/76/09/411257609.db2.gz VDQVHZSLZMSOQY-IUCAKERBSA-N 2 0 245.330 0.488 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1CCC(=O)N(C)CC1 ZINC000656792248 411373020 /nfs/dbraw/zinc/37/30/20/411373020.db2.gz PZPMHLUGTHXPKO-LLVKDONJSA-N 2 0 227.352 0.524 20 0 BCADRP CC1(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC000193362778 168058193 /nfs/dbraw/zinc/05/81/93/168058193.db2.gz YOAKOVRWTRQOOF-MNOVXSKESA-N 2 0 239.363 0.762 20 0 BCADRP CC1(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC000193362796 168059391 /nfs/dbraw/zinc/05/93/91/168059391.db2.gz YOAKOVRWTRQOOF-QWRGUYRKSA-N 2 0 239.363 0.762 20 0 BCADRP C(Cc1nc([C@@H]2CCC[NH2+]2)no1)[NH2+]C1CC1 ZINC000653491131 411382060 /nfs/dbraw/zinc/38/20/60/411382060.db2.gz LWYUBSZLDFTWQD-VIFPVBQESA-N 2 0 222.292 0.789 20 0 BCADRP CC1CC[NH+](CCCCNC(=O)CC[NH3+])CC1 ZINC000236625939 168179344 /nfs/dbraw/zinc/17/93/44/168179344.db2.gz ZSNLGVRWHCAWDC-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000236626086 168179489 /nfs/dbraw/zinc/17/94/89/168179489.db2.gz AFWDSCPLULVMMK-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]([NH3+])C(=O)NCC[NH+]1CCC(C)CC1 ZINC000040772490 168180598 /nfs/dbraw/zinc/18/05/98/168180598.db2.gz ZHTARWTVZKCXRV-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP CC1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000020179781 168181913 /nfs/dbraw/zinc/18/19/13/168181913.db2.gz KXXJSOZRJMKMPA-UHFFFAOYSA-N 2 0 211.353 0.624 20 0 BCADRP C[C@H](CNC(=O)C(C)(C)[NH3+])[NH+]1CCC(C)CC1 ZINC000236626766 168187164 /nfs/dbraw/zinc/18/71/64/168187164.db2.gz VCZUWJFHYVHNCW-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP CN(CC[NH+](C)C)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000654853123 411456476 /nfs/dbraw/zinc/45/64/76/411456476.db2.gz MWNDEHPAXHYMAB-UHFFFAOYSA-N 2 0 241.379 0.738 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000638196746 411457275 /nfs/dbraw/zinc/45/72/75/411457275.db2.gz AUDPDYRQZIWBOF-MXWKQRLJSA-N 2 0 223.320 0.420 20 0 BCADRP C[NH+](C)CCNC(=O)CCC(C)(C)[NH3+] ZINC000069633405 411457387 /nfs/dbraw/zinc/45/73/87/411457387.db2.gz YQQDLIWUZFTBJP-UHFFFAOYSA-N 2 0 201.314 0.182 20 0 BCADRP CC(C)([NH3+])CCC(=O)NCC[NH+]1CCCC1 ZINC000069633594 411457925 /nfs/dbraw/zinc/45/79/25/411457925.db2.gz KNDOJWXJUAIQIV-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP CC[NH+](CC)CCNC(=O)CCC(C)(C)[NH3+] ZINC000069633426 411458021 /nfs/dbraw/zinc/45/80/21/411458021.db2.gz ASMJPYIEPIGYGF-UHFFFAOYSA-N 2 0 229.368 0.962 20 0 BCADRP CC(C)C[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000055079561 411392505 /nfs/dbraw/zinc/39/25/05/411392505.db2.gz BYDBJBQKGZSOEL-ZDUSSCGKSA-N 2 0 225.380 0.870 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000659327555 411395773 /nfs/dbraw/zinc/39/57/73/411395773.db2.gz FLBAWQNLULUWQR-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000659327610 411395877 /nfs/dbraw/zinc/39/58/77/411395877.db2.gz QRYZCOFPIJAJHR-AAEUAGOBSA-N 2 0 239.363 0.572 20 0 BCADRP CCNC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404424798 411396397 /nfs/dbraw/zinc/39/63/97/411396397.db2.gz KYUFWEWKVBTPIW-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC(C)([NH3+])CC1 ZINC000309449467 411396679 /nfs/dbraw/zinc/39/66/79/411396679.db2.gz MDYZMKIODSRZSM-RKDXNWHRSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000309446304 411397204 /nfs/dbraw/zinc/39/72/04/411397204.db2.gz LLMMNHHTCLVQGW-RKDXNWHRSA-N 2 0 213.325 0.310 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000653043551 411401594 /nfs/dbraw/zinc/40/15/94/411401594.db2.gz ATTIWVJXZCLQJC-VWYCJHECSA-N 2 0 223.320 0.077 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000653043550 411401964 /nfs/dbraw/zinc/40/19/64/411401964.db2.gz ATTIWVJXZCLQJC-OUAUKWLOSA-N 2 0 223.320 0.077 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000653042956 411401987 /nfs/dbraw/zinc/40/19/87/411401987.db2.gz PUNDYYRWQFCTJE-HBNTYKKESA-N 2 0 225.336 0.454 20 0 BCADRP CN(C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000653049786 411402601 /nfs/dbraw/zinc/40/26/01/411402601.db2.gz CVRPKLGREBWKBA-TUAOUCFPSA-N 2 0 237.347 0.337 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000653049368 411402957 /nfs/dbraw/zinc/40/29/57/411402957.db2.gz GSBGVYOCNLVSLO-GRYCIOLGSA-N 2 0 239.363 0.572 20 0 BCADRP Cn1nncc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000394847958 411403538 /nfs/dbraw/zinc/40/35/38/411403538.db2.gz AWVXTBKJXDMCPH-JTQLQIEISA-N 2 0 223.324 0.376 20 0 BCADRP [NH3+]CCc1ccccc1C(=O)NCC[NH2+]C1CC1 ZINC000653048256 411403731 /nfs/dbraw/zinc/40/37/31/411403731.db2.gz SIWOOKOOSPQXSQ-UHFFFAOYSA-N 2 0 247.342 0.670 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000653047478 411403792 /nfs/dbraw/zinc/40/37/92/411403792.db2.gz SVVAYIYULJBQCM-WCQGTBRESA-N 2 0 237.347 0.324 20 0 BCADRP CN(C(=O)[C@H]1CCC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000653049815 411403966 /nfs/dbraw/zinc/40/39/66/411403966.db2.gz GMEAFWHBGWECJN-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP O=C(NCC[NH2+]C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000653048208 411404449 /nfs/dbraw/zinc/40/44/49/411404449.db2.gz PWPMQHONUALJAL-JTQLQIEISA-N 2 0 225.336 0.244 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653051012 411404868 /nfs/dbraw/zinc/40/48/68/411404868.db2.gz CQFBGVYJBAXQLU-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[C@@H]1[NH3+] ZINC000653051183 411404870 /nfs/dbraw/zinc/40/48/70/411404870.db2.gz LTRMSRWLTUEMSX-FIQHERPVSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000653050428 411405157 /nfs/dbraw/zinc/40/51/57/411405157.db2.gz ZZAZUDIGHKIVCR-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC[NH2+]1 ZINC000653050833 411405223 /nfs/dbraw/zinc/40/52/23/411405223.db2.gz ZUXYMVPUSZNUTL-YUSALJHKSA-N 2 0 237.347 0.337 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653052193 411406004 /nfs/dbraw/zinc/40/60/04/411406004.db2.gz XMTYEUAUJANYNK-GRYCIOLGSA-N 2 0 239.363 0.617 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653053416 411406227 /nfs/dbraw/zinc/40/62/27/411406227.db2.gz HSJXKJWJYDJDQR-WDEREUQCSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1CCN(C(=O)CC2([NH3+])CCC2)[C@H](C[NH3+])C1 ZINC000659378673 411406974 /nfs/dbraw/zinc/40/69/74/411406974.db2.gz VSIZNTLNLONWFB-MNOVXSKESA-N 2 0 239.363 0.844 20 0 BCADRP Nc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccn1 ZINC000647830307 411408354 /nfs/dbraw/zinc/40/83/54/411408354.db2.gz GRXDCJQKTIMXOU-JTQLQIEISA-N 2 0 206.293 0.444 20 0 BCADRP [NH3+]CC1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCCC1 ZINC000659389233 411410171 /nfs/dbraw/zinc/41/01/71/411410171.db2.gz QDZUOFGDZNJVSM-NXEZZACHSA-N 2 0 243.326 0.403 20 0 BCADRP CN(CCC[NH3+])C(=O)NC1CC[NH+](C)CC1 ZINC000659426141 411414033 /nfs/dbraw/zinc/41/40/33/411414033.db2.gz SFRMGFWQKBXXMR-UHFFFAOYSA-N 2 0 228.340 0.071 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000659450661 411416199 /nfs/dbraw/zinc/41/61/99/411416199.db2.gz DJXMSHPRQFLMLI-NXEZZACHSA-N 2 0 242.367 0.376 20 0 BCADRP C[C@@H](CNC(=O)N1CC2CC1(C[NH3+])C2)[NH+](C)C ZINC000659501105 411423356 /nfs/dbraw/zinc/42/33/56/411423356.db2.gz JKUCZJBSYHDMLM-BMQDGWLCSA-N 2 0 240.351 0.069 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NCC1([NH3+])CCCCC1 ZINC000659507140 411423789 /nfs/dbraw/zinc/42/37/89/411423789.db2.gz DUQKDAZFNBLKDQ-SNVBAGLBSA-N 2 0 242.367 0.555 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)NCC[NH2+]C1CC1 ZINC000659509381 411424135 /nfs/dbraw/zinc/42/41/35/411424135.db2.gz BKHUPPGDFBGVFG-LLVKDONJSA-N 2 0 242.367 0.411 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000654657277 411424410 /nfs/dbraw/zinc/42/44/10/411424410.db2.gz PFMSALIDVOJEBB-JTQLQIEISA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000659511128 411424937 /nfs/dbraw/zinc/42/49/37/411424937.db2.gz OSHCDIMMXZVOMG-MXWKQRLJSA-N 2 0 240.351 0.036 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000659510298 411425315 /nfs/dbraw/zinc/42/53/15/411425315.db2.gz NEBVLCYFHUKJEK-UHFFFAOYSA-N 2 0 228.340 0.117 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)NCCC[NH3+])C1 ZINC000659510399 411425329 /nfs/dbraw/zinc/42/53/29/411425329.db2.gz ORSRYNMTPSKYGN-JTQLQIEISA-N 2 0 228.340 0.119 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659516197 411425883 /nfs/dbraw/zinc/42/58/83/411425883.db2.gz GUDDKXRCKBSOPU-SQLBVSGCSA-N 2 0 240.351 0.021 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659517070 411426463 /nfs/dbraw/zinc/42/64/63/411426463.db2.gz MNWGKTDDPXYSKC-SECBINFHSA-N 2 0 230.356 0.348 20 0 BCADRP CCC[NH2+]CCNC(=O)NCC1([NH3+])CCCC1 ZINC000659525157 411427962 /nfs/dbraw/zinc/42/79/62/411427962.db2.gz OWVSMPMSXGHIBI-UHFFFAOYSA-N 2 0 242.367 0.557 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)C[NH3+])C1 ZINC000659525417 411428450 /nfs/dbraw/zinc/42/84/50/411428450.db2.gz GEAQCFRXBCFXTK-MNOVXSKESA-N 2 0 242.367 0.365 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659530835 411430476 /nfs/dbraw/zinc/43/04/76/411430476.db2.gz UUMAJXRZNVWKNZ-QMMMGPOBSA-N 2 0 216.329 0.102 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC/C=C\C[NH3+])C1 ZINC000659544195 411432657 /nfs/dbraw/zinc/43/26/57/411432657.db2.gz QYVQZXZWNALZMO-DLRQAJBASA-N 2 0 240.351 0.285 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000659556529 411435437 /nfs/dbraw/zinc/43/54/37/411435437.db2.gz YSCWCSBSPLVOND-NXEZZACHSA-N 2 0 242.367 0.493 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NCCC1CC[NH2+]CC1 ZINC000659561725 411436217 /nfs/dbraw/zinc/43/62/17/411436217.db2.gz REZSNMDMKFRHCT-JTQLQIEISA-N 2 0 242.367 0.283 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC1([NH3+])CCCC1 ZINC000659557485 411436243 /nfs/dbraw/zinc/43/62/43/411436243.db2.gz YLSRHEVCGVYZBW-VHSXEESVSA-N 2 0 242.367 0.683 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000659564175 411437100 /nfs/dbraw/zinc/43/71/00/411437100.db2.gz OEFJBNOQGNGMDN-KOLCDFICSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)NCC1([NH3+])CCCC1 ZINC000659578244 411439501 /nfs/dbraw/zinc/43/95/01/411439501.db2.gz SZLKKTDUXOHAIN-SECBINFHSA-N 2 0 228.340 0.247 20 0 BCADRP CCCNC(=O)[C@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000414689702 411439834 /nfs/dbraw/zinc/43/98/34/411439834.db2.gz GNNTZWHFXLHYGD-NSHDSACASA-N 2 0 227.352 0.573 20 0 BCADRP CCCCNC(=O)[C@@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000414689733 411439904 /nfs/dbraw/zinc/43/99/04/411439904.db2.gz GSRIEHMXSUBVGS-GFCCVEGCSA-N 2 0 241.379 0.964 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000659440447 411441688 /nfs/dbraw/zinc/44/16/88/411441688.db2.gz HNFJWEAGEUPVGZ-JTQLQIEISA-N 2 0 228.340 0.071 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000659618356 411442368 /nfs/dbraw/zinc/44/23/68/411442368.db2.gz GXLZSJYTEQYHMQ-WDEREUQCSA-N 2 0 242.367 0.363 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N(C)CCC[NH3+] ZINC000659620484 411443482 /nfs/dbraw/zinc/44/34/82/411443482.db2.gz LOBDYPJCARFNIE-SNVBAGLBSA-N 2 0 230.356 0.350 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC[C@H]1[NH3+] ZINC000637845513 411444975 /nfs/dbraw/zinc/44/49/75/411444975.db2.gz PUKWZXWSQKLEMN-TUAOUCFPSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659637081 411445334 /nfs/dbraw/zinc/44/53/34/411445334.db2.gz TYTAQDUPEHNSJJ-MXWKQRLJSA-N 2 0 242.367 0.363 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000659644725 411446705 /nfs/dbraw/zinc/44/67/05/411446705.db2.gz YONMVBNRFRLXAG-QWRGUYRKSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H](CC(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000126942994 411464065 /nfs/dbraw/zinc/46/40/65/411464065.db2.gz VXZQZZVEQCONOK-IJLUTSLNSA-N 2 0 239.363 0.490 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000659515886 411469430 /nfs/dbraw/zinc/46/94/30/411469430.db2.gz DQTUDIGRVGDLPW-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000638536210 411472682 /nfs/dbraw/zinc/47/26/82/411472682.db2.gz HQTYLFSCPKIHEV-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000659520553 411475403 /nfs/dbraw/zinc/47/54/03/411475403.db2.gz BZEVQZUGLYPHTA-HBNTYKKESA-N 2 0 242.367 0.411 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CCO)CC1CC1 ZINC000659857410 411480001 /nfs/dbraw/zinc/48/00/01/411480001.db2.gz KAYDFIJTMAMMSO-CYBMUJFWSA-N 2 0 244.379 0.392 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000659523250 411481047 /nfs/dbraw/zinc/48/10/47/411481047.db2.gz SAMUJQSXZBVHNM-NXEZZACHSA-N 2 0 230.356 0.267 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407348879 411481207 /nfs/dbraw/zinc/48/12/07/411481207.db2.gz LXKHMRHUBBAHSR-RYUDHWBXSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H](C)C[NH3+] ZINC000659526066 411483496 /nfs/dbraw/zinc/48/34/96/411483496.db2.gz KCKOUXCBBFDOEJ-VHSXEESVSA-N 2 0 230.356 0.254 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)C[NH3+])C1 ZINC000659529217 411486067 /nfs/dbraw/zinc/48/60/67/411486067.db2.gz APCMFEGNZWIHBA-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H](CC(=O)N[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000127441182 411489013 /nfs/dbraw/zinc/48/90/13/411489013.db2.gz IJZXEJRNUUNWGQ-ZYHUDNBSSA-N 2 0 239.363 0.490 20 0 BCADRP CC[NH+]1CCC(CCNC(=O)[C@@H](C)C[NH3+])CC1 ZINC000357241219 169951385 /nfs/dbraw/zinc/95/13/85/169951385.db2.gz MYZSVBYHNRZHKE-NSHDSACASA-N 2 0 241.379 0.819 20 0 BCADRP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C[C@@H](C)O)C(C)C ZINC000659909501 411495012 /nfs/dbraw/zinc/49/50/12/411495012.db2.gz VCJVAFJHNNXHMG-OLZOCXBDSA-N 2 0 246.395 0.779 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000127652984 411499963 /nfs/dbraw/zinc/49/99/63/411499963.db2.gz PWDRZSPQBSUFNH-AXFHLTTASA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]1C[C@H](NC(=O)N(C)CC(C)(C)[NH3+])CC[NH2+]1 ZINC000659535623 411501143 /nfs/dbraw/zinc/50/11/43/411501143.db2.gz BMOWDAJWNMTQEO-VHSXEESVSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659535224 411501182 /nfs/dbraw/zinc/50/11/82/411501182.db2.gz IIRKDDIXCLRSFW-ZJUUUORDSA-N 2 0 242.367 0.363 20 0 BCADRP CC[C@@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)CO1 ZINC000657437854 411510324 /nfs/dbraw/zinc/51/03/24/411510324.db2.gz LZTGIXDDXQGFPP-NWDGAFQWSA-N 2 0 230.352 0.722 20 0 BCADRP C[C@H]1CN(C)C[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806244 411520758 /nfs/dbraw/zinc/52/07/58/411520758.db2.gz SIBDIQIARPEBPU-WUHRBBMRSA-N 2 0 225.380 0.866 20 0 BCADRP Cn1cncc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826969 411529711 /nfs/dbraw/zinc/52/97/11/411529711.db2.gz KDJNYOOJNBSYAV-PHIMTYICSA-N 2 0 222.336 0.850 20 0 BCADRP Cn1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000655826982 411530042 /nfs/dbraw/zinc/53/00/42/411530042.db2.gz KYLWQGJTIQFROL-KLPPZKSPSA-N 2 0 222.336 0.850 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000655829613 411530604 /nfs/dbraw/zinc/53/06/04/411530604.db2.gz NURAJSNHKBDCHS-FOGDFJRCSA-N 2 0 249.362 0.212 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H](C)[NH3+])C1 ZINC000252440009 170006336 /nfs/dbraw/zinc/00/63/36/170006336.db2.gz VXSQCQOFBYSDOU-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000040922632 170005846 /nfs/dbraw/zinc/00/58/46/170005846.db2.gz LYMHVJJMBBWVIB-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H](C)[NH3+])C1 ZINC000069839430 170006370 /nfs/dbraw/zinc/00/63/70/170006370.db2.gz ILDMHQHVUANJFM-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)CCC[NH2+]C)C1 ZINC000037484155 170006614 /nfs/dbraw/zinc/00/66/14/170006614.db2.gz DCXKTANTGAWGQB-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000037643508 170006710 /nfs/dbraw/zinc/00/67/10/170006710.db2.gz JTIIIXKYYWMFHT-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)CCC(C)(C)[NH3+] ZINC000069634053 411466340 /nfs/dbraw/zinc/46/63/40/411466340.db2.gz XKGQYAHENHMSHE-SNVBAGLBSA-N 2 0 229.368 0.960 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C(N)=O)[C@H](C)C1 ZINC000121874509 170011322 /nfs/dbraw/zinc/01/13/22/170011322.db2.gz LBWYCNXDSQAVFU-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCC(=O)NC)[C@@H](C)C1 ZINC000358023787 170012297 /nfs/dbraw/zinc/01/22/97/170012297.db2.gz KZARXMJHNCAIMR-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062114217 170015090 /nfs/dbraw/zinc/01/50/90/170015090.db2.gz HVXCZUZAUXNRSU-GHMZBOCLSA-N 2 0 225.336 0.054 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)CC[NH2+]C)C1 ZINC000043604465 170015108 /nfs/dbraw/zinc/01/51/08/170015108.db2.gz DRJDPMBJHMXCAH-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH2+]C)C[C@@H]1C ZINC000357254783 170016655 /nfs/dbraw/zinc/01/66/55/170016655.db2.gz ZIZFDQJRGKEUBT-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCC[NH3+])[C@@H](C)C1 ZINC000357073360 170017820 /nfs/dbraw/zinc/01/78/20/170017820.db2.gz LHANYNIRJFECJS-STQMWFEESA-N 3 0 243.395 0.624 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCOC2)[C@H](C)C1 ZINC000358225805 170020227 /nfs/dbraw/zinc/02/02/27/170020227.db2.gz MRLOODQJKKJNHW-AGIUHOORSA-N 2 0 242.363 0.458 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)NC)[C@H](C)C1 ZINC000361669736 170022206 /nfs/dbraw/zinc/02/22/06/170022206.db2.gz DIOUJBXLJJBFGF-WOPDTQHZSA-N 2 0 241.379 0.831 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)NC)[C@@H](C)C1 ZINC000361669733 170022314 /nfs/dbraw/zinc/02/23/14/170022314.db2.gz DIOUJBXLJJBFGF-SRVKXCTJSA-N 2 0 241.379 0.831 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(N)=O)[C@H](C)C1 ZINC000309911110 170022495 /nfs/dbraw/zinc/02/24/95/170022495.db2.gz MRXNRUVLSHJQLF-VWYCJHECSA-N 2 0 227.352 0.570 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)NC)[C@H](C)C1 ZINC000361669735 170022979 /nfs/dbraw/zinc/02/29/79/170022979.db2.gz DIOUJBXLJJBFGF-UTUOFQBUSA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000296305188 170114400 /nfs/dbraw/zinc/11/44/00/170114400.db2.gz GHHRGVZBJYOSOK-LBPRGKRZSA-N 2 0 235.331 0.721 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000366409840 170114755 /nfs/dbraw/zinc/11/47/55/170114755.db2.gz ZUBZWXURLXRQDO-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+]CCNC(=O)[C@]1(CC)CCC[NH2+]1 ZINC000134367488 170114946 /nfs/dbraw/zinc/11/49/46/170114946.db2.gz FSQQXGSNKMTCKY-NSHDSACASA-N 2 0 213.325 0.244 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000358917512 170157890 /nfs/dbraw/zinc/15/78/90/170157890.db2.gz VDGQEIYXBQCRSB-WOPDTQHZSA-N 2 0 241.379 0.973 20 0 BCADRP CCC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000217871075 411567331 /nfs/dbraw/zinc/56/73/31/411567331.db2.gz AOIUMXITRPZOEI-VXGBXAGGSA-N 2 0 230.352 0.194 20 0 BCADRP OC/C=C\C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657592716 411556478 /nfs/dbraw/zinc/55/64/78/411556478.db2.gz ALZXOXMCSGWKFT-JZIZGNRHSA-N 2 0 210.321 0.751 20 0 BCADRP CCOCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336680201 170374342 /nfs/dbraw/zinc/37/43/42/170374342.db2.gz IXHADOCFGBJOSQ-VXGBXAGGSA-N 2 0 212.337 0.954 20 0 BCADRP CCOCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000119676577 170388278 /nfs/dbraw/zinc/38/82/78/170388278.db2.gz CGDPYIPHKZYWPB-UHFFFAOYSA-N 2 0 243.395 0.592 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC(C)(C)C[NH3+] ZINC000131817575 411637985 /nfs/dbraw/zinc/63/79/85/411637985.db2.gz HLVQHFKLDTXQIC-UHFFFAOYSA-N 2 0 201.314 0.228 20 0 BCADRP O[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000657809008 411601617 /nfs/dbraw/zinc/60/16/17/411601617.db2.gz RVMQPDCUVLLQQQ-BJDJZHNGSA-N 2 0 210.321 0.726 20 0 BCADRP Cn1ccc(CN2CCn3cncc3C2)cc1=O ZINC000660580516 411602615 /nfs/dbraw/zinc/60/26/15/411602615.db2.gz PMDLHDCDTFCHPW-UHFFFAOYSA-N 2 0 244.298 0.598 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@]12C[C@H]1C[NH2+]C2 ZINC000663492685 411671059 /nfs/dbraw/zinc/67/10/59/411671059.db2.gz AZTMRYZQTXQSTR-FIQHERPVSA-N 2 0 227.327 0.228 20 0 BCADRP C(NC[C@@]12C[C@@H]1C[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000663492670 411671065 /nfs/dbraw/zinc/67/10/65/411671065.db2.gz AWKKODBWGUAKOR-IJLUTSLNSA-N 2 0 209.337 0.185 20 0 BCADRP C(NC[C@]12C[C@H]1C[NH2+]C2)[C@H]1CCCC[NH2+]1 ZINC000663493128 411671081 /nfs/dbraw/zinc/67/10/81/411671081.db2.gz FXGHMUUOIJQDKN-QJPTWQEYSA-N 2 0 209.337 0.328 20 0 BCADRP C(NC[C@]12C[C@H]1C[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000663492672 411671387 /nfs/dbraw/zinc/67/13/87/411671387.db2.gz AWKKODBWGUAKOR-WOPDTQHZSA-N 2 0 209.337 0.185 20 0 BCADRP C[NH2+]CCCNCc1nc2c(s1)C[NH2+]CC2 ZINC000663494059 411673344 /nfs/dbraw/zinc/67/33/44/411673344.db2.gz LNWKVADGAINUPG-UHFFFAOYSA-N 2 0 240.376 0.488 20 0 BCADRP C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494817 411674584 /nfs/dbraw/zinc/67/45/84/411674584.db2.gz SGLAKQLVUFXFPW-NDBYEHHHSA-N 2 0 221.348 0.422 20 0 BCADRP C[NH2+]CCC1CC[NH+](C[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC000663496836 411677937 /nfs/dbraw/zinc/67/79/37/411677937.db2.gz ZOMKPBCJZSQXJE-UONOGXRCSA-N 3 0 237.391 0.917 20 0 BCADRP C(N1CCC2(CC[NH2+]2)CC1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663497016 411679128 /nfs/dbraw/zinc/67/91/28/411679128.db2.gz KTUYXLBLCSFFGF-NWDGAFQWSA-N 2 0 221.348 0.424 20 0 BCADRP [NH3+]CCC1CC[NH+](C[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC000663498756 411680991 /nfs/dbraw/zinc/68/09/91/411680991.db2.gz TYQSBRHEEJMWMY-OLZOCXBDSA-N 3 0 223.364 0.657 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000663501254 411685322 /nfs/dbraw/zinc/68/53/22/411685322.db2.gz UCRLMWXUVLOUPX-VOBJUBJWSA-N 2 0 209.337 0.326 20 0 BCADRP CC(C)[C@H]([NH3+])CCN[C@H]1C[NH2+]C[C@H](C)C1 ZINC000663502210 411685498 /nfs/dbraw/zinc/68/54/98/411685498.db2.gz FLXNYSWFMYLICF-IJLUTSLNSA-N 2 0 213.369 0.947 20 0 BCADRP C[C@H]1C[NH2+]C[C@@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000663501255 411686154 /nfs/dbraw/zinc/68/61/54/411686154.db2.gz UCRLMWXUVLOUPX-ZYGVAYEYSA-N 2 0 209.337 0.326 20 0 BCADRP [NH3+]CC1(CN2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000663505377 411686937 /nfs/dbraw/zinc/68/69/37/411686937.db2.gz KYKRNUAXMLUNIJ-RKDXNWHRSA-N 2 0 201.289 0.096 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1CCOC2(C[NH2+]C2)C1 ZINC000663510128 411692760 /nfs/dbraw/zinc/69/27/60/411692760.db2.gz NQBYRTJHYIERJX-LLVKDONJSA-N 2 0 227.352 0.034 20 0 BCADRP C[NH+](C)CCC[C@H]1CN(CC(C)(C)[NH3+])CCO1 ZINC000663514680 411694189 /nfs/dbraw/zinc/69/41/89/411694189.db2.gz RZPKTHMKFJUSTF-LBPRGKRZSA-N 2 0 243.395 0.766 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN(C)CC1=CCCOC1 ZINC000661654528 411830933 /nfs/dbraw/zinc/83/09/33/411830933.db2.gz ZSKGLHXOGGFDSJ-ZDUSSCGKSA-N 2 0 242.363 0.578 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccnc(N)c1 ZINC000641804359 411891867 /nfs/dbraw/zinc/89/18/67/411891867.db2.gz YVZJNNMJKGGCKI-ZJUUUORDSA-N 2 0 220.320 0.879 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccnc(N)c1 ZINC000566244400 411929731 /nfs/dbraw/zinc/92/97/31/411929731.db2.gz NCQKKSOPKHURBL-ONGXEEELSA-N 2 0 220.320 0.833 20 0 BCADRP C[C@H]1C[N@H+](Cc2ccc(N)nc2)C[C@H]1C[NH3+] ZINC000634998334 411930543 /nfs/dbraw/zinc/93/05/43/411930543.db2.gz DJUHSHWKHNWCHM-GXSJLCMTSA-N 2 0 220.320 0.690 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(N)nc1 ZINC000647508956 411932762 /nfs/dbraw/zinc/93/27/62/411932762.db2.gz BVUMAJGZZXJTAX-GXSJLCMTSA-N 2 0 220.320 0.833 20 0 BCADRP C[C@]1(C[NH2+]Cc2ccc(N)nc2)CCC[NH2+]C1 ZINC000647547233 411934977 /nfs/dbraw/zinc/93/49/77/411934977.db2.gz SBWJURXDFQTPBR-ZDUSSCGKSA-N 2 0 234.347 1.143 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(N)nc2)C1 ZINC000647509898 411883418 /nfs/dbraw/zinc/88/34/18/411883418.db2.gz PFAKLEOMFZKNBQ-KOLCDFICSA-N 2 0 220.320 0.833 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000357254746 170862908 /nfs/dbraw/zinc/86/29/08/170862908.db2.gz ZABQYUGOZYKKQU-OLZOCXBDSA-N 2 0 247.342 0.727 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000133849439 411980542 /nfs/dbraw/zinc/98/05/42/411980542.db2.gz LCCWYYYDKRGBCV-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[NH3+] ZINC000236910259 170964372 /nfs/dbraw/zinc/96/43/72/170964372.db2.gz XUQFJVYOOIKXHC-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP [NH3+]CC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662236521 412034993 /nfs/dbraw/zinc/03/49/93/412034993.db2.gz ZHNMRBUKTXYUPA-GFCCVEGCSA-N 3 0 239.363 0.178 20 0 BCADRP C[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H](C)[NH2+]1 ZINC000662242969 412036644 /nfs/dbraw/zinc/03/66/44/412036644.db2.gz FYSLNPKZPZQMHE-UTUOFQBUSA-N 2 0 239.363 0.190 20 0 BCADRP C[NH2+]CC1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC000662244740 412041635 /nfs/dbraw/zinc/04/16/35/412041635.db2.gz GSFGVEUSNXHCPQ-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662245115 412042033 /nfs/dbraw/zinc/04/20/33/412042033.db2.gz KOEIUCSQBFPCBY-NWDGAFQWSA-N 3 0 239.363 0.191 20 0 BCADRP COC[C@H](C[NH+]1CCC([C@@H](C)[NH3+])CC1)OC ZINC000662247205 412044296 /nfs/dbraw/zinc/04/42/96/412044296.db2.gz VIONYAKCMMVJND-PWSUYJOCSA-N 2 0 230.352 0.707 20 0 BCADRP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1CCCO1 ZINC000662248468 412045989 /nfs/dbraw/zinc/04/59/89/412045989.db2.gz CGQQAVDVMAKIRS-NWDGAFQWSA-N 2 0 240.347 0.618 20 0 BCADRP C[C@](C[NH3+])([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662248023 412046116 /nfs/dbraw/zinc/04/61/16/412046116.db2.gz RARBYVWQOLUBFU-NWDGAFQWSA-N 3 0 239.363 0.224 20 0 BCADRP COC[C@H](C[NH2+][C@@](C)(C[NH3+])C1CC1)OC ZINC000662248038 412047088 /nfs/dbraw/zinc/04/70/88/412047088.db2.gz RFNZNEPKZJLPBZ-QWRGUYRKSA-N 2 0 216.325 0.365 20 0 BCADRP C[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255088 412048898 /nfs/dbraw/zinc/04/88/98/412048898.db2.gz OGBBCQBRIRIMII-QWRGUYRKSA-N 2 0 210.321 0.992 20 0 BCADRP CC(C)CO[C@@H]1CC[N@H+](C[C@@H]2CNCCO2)C1 ZINC000662259545 412052829 /nfs/dbraw/zinc/05/28/29/412052829.db2.gz YQXOTAIRBKFNAP-OLZOCXBDSA-N 2 0 242.363 0.722 20 0 BCADRP CCN1CC[C@H]([N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)C1=O ZINC000662265251 412056934 /nfs/dbraw/zinc/05/69/34/412056934.db2.gz OQVOIFKKPZBCPI-AXFHLTTASA-N 2 0 225.336 0.276 20 0 BCADRP COC[C@H](C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)OC ZINC000662265829 412057492 /nfs/dbraw/zinc/05/74/92/412057492.db2.gz JDGOFYFVTZNIDP-WUHRBBMRSA-N 2 0 242.363 0.707 20 0 BCADRP COC[C@H](C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C)OC ZINC000662265551 412057730 /nfs/dbraw/zinc/05/77/30/412057730.db2.gz QXKRMOIVGLMIMP-MXWKQRLJSA-N 2 0 216.325 0.317 20 0 BCADRP COC[C@H](C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)OC ZINC000662265826 412058599 /nfs/dbraw/zinc/05/85/99/412058599.db2.gz JDGOFYFVTZNIDP-CYDGBPFRSA-N 2 0 242.363 0.707 20 0 BCADRP C[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H](C)C[NH2+]1 ZINC000662274847 412067800 /nfs/dbraw/zinc/06/78/00/412067800.db2.gz NBMJHAPHQBYAFG-UTUOFQBUSA-N 2 0 239.363 0.190 20 0 BCADRP COC[C@H](C[N@H+](C)C1CC([NH3+])C1)OC ZINC000662274763 412068068 /nfs/dbraw/zinc/06/80/68/412068068.db2.gz WWBBHRRFNKCQBF-RTBKNWGFSA-N 2 0 202.298 0.069 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000353528472 171146016 /nfs/dbraw/zinc/14/60/16/171146016.db2.gz SWJNJNTVDGUZRU-WYUUTHIRSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000353458270 171146278 /nfs/dbraw/zinc/14/62/78/171146278.db2.gz IYRVKLMOWNDZBU-WYUUTHIRSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000353462598 171146342 /nfs/dbraw/zinc/14/63/42/171146342.db2.gz SXOJGRFVPKBMAJ-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]C ZINC000353164312 171146348 /nfs/dbraw/zinc/14/63/48/171146348.db2.gz FMPUQNCYMRFPME-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000353528471 171146717 /nfs/dbraw/zinc/14/67/17/171146717.db2.gz SWJNJNTVDGUZRU-USZNOCQGSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000353465761 171147600 /nfs/dbraw/zinc/14/76/00/171147600.db2.gz FUJABFKWDAFSEY-BJDJZHNGSA-N 2 0 239.363 0.631 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000353459216 171147971 /nfs/dbraw/zinc/14/79/71/171147971.db2.gz LKWPVYADAUQHIV-BJDJZHNGSA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000353452798 171148557 /nfs/dbraw/zinc/14/85/57/171148557.db2.gz QZWHRXUPYZBDFL-DCAQKATOSA-N 2 0 227.352 0.441 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+](CC)CC ZINC000353018851 171149166 /nfs/dbraw/zinc/14/91/66/171149166.db2.gz AFPYJRQLXAGGQZ-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP CO[C@H](C[N@@H+]1CCCO[C@H](C[NH3+])C1)C1CCC1 ZINC000662280692 412070718 /nfs/dbraw/zinc/07/07/18/412070718.db2.gz GYZWQTCKIMLPQY-CHWSQXEVSA-N 2 0 242.363 0.851 20 0 BCADRP C[C@@H]1CC[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@@H]1C[NH3+] ZINC000662280891 412071307 /nfs/dbraw/zinc/07/13/07/412071307.db2.gz GWGCIFPWLORMLS-GRYCIOLGSA-N 2 0 239.363 0.524 20 0 BCADRP CO[C@@H](C[N@@H+]1CCCO[C@H](C[NH3+])C1)C1CCC1 ZINC000662280694 412071504 /nfs/dbraw/zinc/07/15/04/412071504.db2.gz GYZWQTCKIMLPQY-OLZOCXBDSA-N 2 0 242.363 0.851 20 0 BCADRP CC[C@@]1(C(=O)N(C)CC(C)(C)C[NH3+])CC[NH2+]C1 ZINC000368565752 171194197 /nfs/dbraw/zinc/19/41/97/171194197.db2.gz DBMKSMORQPXUNO-CYBMUJFWSA-N 2 0 241.379 0.819 20 0 BCADRP CC[C@@]1(C(=O)NCC[C@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000184074744 171195358 /nfs/dbraw/zinc/19/53/58/171195358.db2.gz TXFKRDMUEDEQPI-YPMHNXCESA-N 2 0 239.363 0.634 20 0 BCADRP CC[C@@]1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CCC[NH2+]1 ZINC000368382570 171195449 /nfs/dbraw/zinc/19/54/49/171195449.db2.gz ZLCYYIUYHUYBOJ-LOWVWBTDSA-N 2 0 237.347 0.339 20 0 BCADRP CC[C@@]1(C(=O)NCCn2ccnc2)CCC[NH2+]1 ZINC000121975655 171195859 /nfs/dbraw/zinc/19/58/59/171195859.db2.gz QZNKMXUSYYTHRH-LBPRGKRZSA-N 2 0 236.319 0.532 20 0 BCADRP CC[C@@]1(C(=O)NCC[N@H+](C)C(C)C)CCC[NH2+]1 ZINC000122073392 171195917 /nfs/dbraw/zinc/19/59/17/171195917.db2.gz IDNCKWBTXBBJFJ-ZDUSSCGKSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@@]1(C(=O)NCCC[NH2+]C)CC[NH2+]C1 ZINC000119221640 171196196 /nfs/dbraw/zinc/19/61/96/171196196.db2.gz AEAQIZLOSKVRNI-LLVKDONJSA-N 2 0 213.325 0.102 20 0 BCADRP CC[C@H](C(=O)N(C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000359252135 171221283 /nfs/dbraw/zinc/22/12/83/171221283.db2.gz PHCUADOSJNYNDR-GFCCVEGCSA-N 2 0 241.379 0.879 20 0 BCADRP CC[C@H](C(=O)N(C)[C@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000361091081 171222843 /nfs/dbraw/zinc/22/28/43/171222843.db2.gz IYNJUDDDWMRXBX-NWDGAFQWSA-N 2 0 241.379 0.879 20 0 BCADRP CC[C@H](C(=O)N1CC[NH2+]C[C@@H]1C)[NH+](CC)CC ZINC000359437358 171224885 /nfs/dbraw/zinc/22/48/85/171224885.db2.gz YGCFLUFPPKGFGR-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)[NH+](C)C ZINC000366282032 171225113 /nfs/dbraw/zinc/22/51/13/171225113.db2.gz FCOANYIFZPERPB-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)[NH+](C)C ZINC000248587563 171225494 /nfs/dbraw/zinc/22/54/94/171225494.db2.gz GMTSEJAMHGJFDY-IRCOFANPSA-N 2 0 239.363 0.522 20 0 BCADRP CC[C@H](C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000338189863 171229434 /nfs/dbraw/zinc/22/94/34/171229434.db2.gz HMLSWCODBZDXEM-VHSXEESVSA-N 2 0 215.341 0.393 20 0 BCADRP CC[C@H](C(=O)NC[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000338189861 171229881 /nfs/dbraw/zinc/22/98/81/171229881.db2.gz HMLSWCODBZDXEM-NXEZZACHSA-N 2 0 215.341 0.393 20 0 BCADRP CO[C@@H](C[NH+]1CCC(O)(C[NH3+])CC1)C1CCC1 ZINC000662284381 412074908 /nfs/dbraw/zinc/07/49/08/412074908.db2.gz VTMPQKAQBMUNKQ-LBPRGKRZSA-N 2 0 242.363 0.587 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662283293 412075802 /nfs/dbraw/zinc/07/58/02/412075802.db2.gz HCJVMMTZUNCUHU-UTUOFQBUSA-N 3 0 239.363 0.319 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCCC[C@@H]1CCO ZINC000662298689 412083671 /nfs/dbraw/zinc/08/36/71/412083671.db2.gz FHCRKTZYYLJUPY-LLVKDONJSA-N 2 0 216.325 0.199 20 0 BCADRP CC[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000037110207 171304680 /nfs/dbraw/zinc/30/46/80/171304680.db2.gz OBUYEKHSKXOYGJ-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C1CC[NH2+]CC1 ZINC000226396386 171307120 /nfs/dbraw/zinc/30/71/20/171307120.db2.gz CFQIDHJPZBCMSV-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178382 171317315 /nfs/dbraw/zinc/31/73/15/171317315.db2.gz NWMNPVYXQURMMZ-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@H](C)NC(=O)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227074714 171324954 /nfs/dbraw/zinc/32/49/54/171324954.db2.gz MALOXJWRGHYYPB-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H](C)[NH2+]CC(=O)N1CCN(C)CC1 ZINC000020036757 171339710 /nfs/dbraw/zinc/33/97/10/171339710.db2.gz IJBPDPJCAJQBCS-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP [NH3+]CCN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291328 412079171 /nfs/dbraw/zinc/07/91/71/412079171.db2.gz DWFFFHIZASPSKJ-LBPRGKRZSA-N 2 0 211.353 0.657 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000037643466 171370802 /nfs/dbraw/zinc/37/08/02/171370802.db2.gz XNDBNJDIBYVZHK-SDDRHHMPSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[NH+](C)C ZINC000019513365 171370922 /nfs/dbraw/zinc/37/09/22/171370922.db2.gz INSMHMSENKQJJL-DTWKUNHWSA-N 2 0 201.314 0.038 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368210738 171371066 /nfs/dbraw/zinc/37/10/66/171371066.db2.gz DFXIQIIYFADJNW-HBNTYKKESA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000337523733 171393969 /nfs/dbraw/zinc/39/39/69/171393969.db2.gz WXLJHZZXUSHCID-NAKRPEOUSA-N 2 0 227.352 0.556 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365227455 171394445 /nfs/dbraw/zinc/39/44/45/171394445.db2.gz RTSHAIMCLOICPU-BJDJZHNGSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000309395671 171394572 /nfs/dbraw/zinc/39/45/72/171394572.db2.gz GOAVCWCDUJQHFK-IUCAKERBSA-N 2 0 213.325 0.357 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000662392181 412143156 /nfs/dbraw/zinc/14/31/56/412143156.db2.gz PWPOEZTZLUUYBJ-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000662387707 412139994 /nfs/dbraw/zinc/13/99/94/412139994.db2.gz JHTUXWKSHBROIO-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000662386497 412140526 /nfs/dbraw/zinc/14/05/26/412140526.db2.gz BBJPZVZGALLNLK-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662391518 412141139 /nfs/dbraw/zinc/14/11/39/412141139.db2.gz AJLSPMLCBLPMGX-GMTAPVOTSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000662303111 412086086 /nfs/dbraw/zinc/08/60/86/412086086.db2.gz SQNRNDHRPQKCSU-FRRDWIJNSA-N 2 0 242.363 0.315 20 0 BCADRP COCC1([N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662299751 412086170 /nfs/dbraw/zinc/08/61/70/412086170.db2.gz WSYHPZDKBGCDDE-LLVKDONJSA-N 2 0 240.347 0.618 20 0 BCADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000662298938 412086974 /nfs/dbraw/zinc/08/69/74/412086974.db2.gz SZHWZGINEDGRHV-WOPDTQHZSA-N 2 0 210.321 0.849 20 0 BCADRP [NH3+]CC12CC(C1)C[N@@H+]2CCC1CC[NH2+]CC1 ZINC000662304363 412088861 /nfs/dbraw/zinc/08/88/61/412088861.db2.gz OZJYJRRWQOZHHH-UHFFFAOYSA-N 3 0 223.364 0.799 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)CC1=CCCOC1 ZINC000662306244 412090736 /nfs/dbraw/zinc/09/07/36/412090736.db2.gz PLRGBWNJYQURHK-UHFFFAOYSA-N 2 0 239.363 0.170 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)CC1=CCSC1 ZINC000662327743 412104567 /nfs/dbraw/zinc/10/45/67/412104567.db2.gz UNLJNVNNIUIALS-UHFFFAOYSA-N 2 0 241.404 0.497 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])COC(C)C ZINC000662367812 412125244 /nfs/dbraw/zinc/12/52/44/412125244.db2.gz PPRCCCIQIWJRJA-NSHDSACASA-N 2 0 245.367 0.197 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000662365548 412126055 /nfs/dbraw/zinc/12/60/55/412126055.db2.gz UBGOCRFEKRFCQG-LBPRGKRZSA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000662393328 412143019 /nfs/dbraw/zinc/14/30/19/412143019.db2.gz QEZOHZOWUPSUDO-MGCOHNPYSA-N 2 0 225.336 0.502 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NCC1([NH3+])CCCC1 ZINC000665246601 412178853 /nfs/dbraw/zinc/17/88/53/412178853.db2.gz JLZSKAUEWHIOQN-WDEREUQCSA-N 2 0 211.353 0.975 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000662450734 412179467 /nfs/dbraw/zinc/17/94/67/412179467.db2.gz DNKIBMIVLAYNLI-LBPRGKRZSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000662453966 412180954 /nfs/dbraw/zinc/18/09/54/412180954.db2.gz HCKPOKDXHKBQMI-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000662453969 412181029 /nfs/dbraw/zinc/18/10/29/412181029.db2.gz HCKPOKDXHKBQMI-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000662453973 412181511 /nfs/dbraw/zinc/18/15/11/412181511.db2.gz HCKPOKDXHKBQMI-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(C)C ZINC000037825192 171477394 /nfs/dbraw/zinc/47/73/94/171477394.db2.gz PDOJGMBQQRRJEW-NSHDSACASA-N 2 0 229.368 0.770 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000662462839 412182855 /nfs/dbraw/zinc/18/28/55/412182855.db2.gz OQNYNANNSDETFF-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NCCO[C@@H]1CC1(F)F ZINC000665244593 412186624 /nfs/dbraw/zinc/18/66/24/412186624.db2.gz RJJFYOBCBUTXGJ-OPRDCNLKSA-N 2 0 234.290 0.998 20 0 BCADRP CO[C@@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000665244059 412187289 /nfs/dbraw/zinc/18/72/89/412187289.db2.gz FSXANZXUBQVJPR-ZRUFSTJUSA-N 2 0 216.325 0.363 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000662474329 412187594 /nfs/dbraw/zinc/18/75/94/412187594.db2.gz ZAILDWFIQHJNQY-GARJFASQSA-N 2 0 227.352 0.535 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NCCO[C@H]1CC1(F)F ZINC000665244591 412187732 /nfs/dbraw/zinc/18/77/32/412187732.db2.gz RJJFYOBCBUTXGJ-BBBLOLIVSA-N 2 0 234.290 0.998 20 0 BCADRP CO[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665245392 412188924 /nfs/dbraw/zinc/18/89/24/412188924.db2.gz HKHBKFNIGOXOLO-FDYHWXHSSA-N 2 0 242.363 0.768 20 0 BCADRP CO[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665245393 412189058 /nfs/dbraw/zinc/18/90/58/412189058.db2.gz HKHBKFNIGOXOLO-FVCCEPFGSA-N 2 0 242.363 0.768 20 0 BCADRP C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)C1C[NH2+]C1 ZINC000665244456 412189184 /nfs/dbraw/zinc/18/91/84/412189184.db2.gz NUMBFTGMUKRXRT-IONNQARKSA-N 2 0 220.263 0.608 20 0 BCADRP CCC[N@@H+]1CC[C@@H](N[C@@H](C)C2C[NH2+]C2)C1 ZINC000665274091 412214851 /nfs/dbraw/zinc/21/48/51/412214851.db2.gz JLPWNPAWDHDUST-CMPLNLGQSA-N 2 0 211.353 0.668 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000662486271 412190630 /nfs/dbraw/zinc/19/06/30/412190630.db2.gz WEDSCVGJNNKHSX-WOPDTQHZSA-N 2 0 239.363 0.680 20 0 BCADRP CCn1cc(C[NH2+]C2CCC(C[NH3+])CC2)nn1 ZINC000665245842 412191212 /nfs/dbraw/zinc/19/12/12/412191212.db2.gz SHZFNYKXXZYCSW-UHFFFAOYSA-N 2 0 237.351 0.905 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000662498166 412196435 /nfs/dbraw/zinc/19/64/35/412196435.db2.gz PBBITJRCSBZPCK-USWWRNFRSA-N 2 0 239.363 0.583 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000665273832 412215153 /nfs/dbraw/zinc/21/51/53/412215153.db2.gz FAEQFKDZLLQCQM-HBNTYKKESA-N 2 0 225.336 0.515 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000662525394 412199515 /nfs/dbraw/zinc/19/95/15/412199515.db2.gz SAFNZBIRVJJDQH-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000662553656 412215256 /nfs/dbraw/zinc/21/52/56/412215256.db2.gz JUTSQUMAIZQGCA-GUBZILKMSA-N 2 0 213.325 0.099 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000662520269 412202796 /nfs/dbraw/zinc/20/27/96/412202796.db2.gz HAUYOVMXBLLNNQ-WDEREUQCSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662519585 412202874 /nfs/dbraw/zinc/20/28/74/412202874.db2.gz XATLMCXARRHMER-AAEUAGOBSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000665261946 412203299 /nfs/dbraw/zinc/20/32/99/412203299.db2.gz OYZDQUKMLXHTTE-WRWGMCAJSA-N 2 0 212.337 0.735 20 0 BCADRP CC[C@@H](O)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665262139 412203590 /nfs/dbraw/zinc/20/35/90/412203590.db2.gz VDAWNOAPKRAMCT-FVCCEPFGSA-N 2 0 242.363 0.504 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662522740 412204156 /nfs/dbraw/zinc/20/41/56/412204156.db2.gz MVJNYJDDSXDTEU-QJPTWQEYSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCCC[NH+]1CCCC1 ZINC000662525552 412204471 /nfs/dbraw/zinc/20/44/71/412204471.db2.gz VDWHQCHLPRIGPN-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000662525272 412204558 /nfs/dbraw/zinc/20/45/58/412204558.db2.gz GEHWKMWYUWVOIC-PWSUYJOCSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000665261958 412204748 /nfs/dbraw/zinc/20/47/48/412204748.db2.gz PMLPREZNXTZJHF-HBNTYKKESA-N 2 0 200.326 0.864 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000662526894 412205276 /nfs/dbraw/zinc/20/52/76/412205276.db2.gz LYBLHPVABQFBSM-QWRGUYRKSA-N 2 0 227.352 0.441 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000662526895 412205733 /nfs/dbraw/zinc/20/57/33/412205733.db2.gz LYBLHPVABQFBSM-WDEREUQCSA-N 2 0 227.352 0.441 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC(C)([NH3+])CC1 ZINC000662556502 412215954 /nfs/dbraw/zinc/21/59/54/412215954.db2.gz SXMGEZXCURMBOG-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000662533526 412206725 /nfs/dbraw/zinc/20/67/25/412206725.db2.gz RFNJDSXNEJDBMZ-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000662533523 412207297 /nfs/dbraw/zinc/20/72/97/412207297.db2.gz RFNJDSXNEJDBMZ-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000662540393 412209987 /nfs/dbraw/zinc/20/99/87/412209987.db2.gz WBFCWKRCTLOPQU-QWRGUYRKSA-N 2 0 239.363 0.726 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000662540394 412210377 /nfs/dbraw/zinc/21/03/77/412210377.db2.gz WBFCWKRCTLOPQU-WDEREUQCSA-N 2 0 239.363 0.726 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662548121 412211012 /nfs/dbraw/zinc/21/10/12/412211012.db2.gz BKGDVQIISKAONL-VIFPVBQESA-N 2 0 233.315 0.614 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000662559474 412211748 /nfs/dbraw/zinc/21/17/48/412211748.db2.gz DHBYVFDWRVMKOB-MWLCHTKSSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000662550350 412212150 /nfs/dbraw/zinc/21/21/50/412212150.db2.gz BNJWBYGKBWLUPH-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000662552285 412213233 /nfs/dbraw/zinc/21/32/33/412213233.db2.gz RKPQOKLBPMEOLX-UTLUCORTSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000662393973 412145152 /nfs/dbraw/zinc/14/51/52/412145152.db2.gz ZGZDBISOMQOYIR-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000662396041 412146148 /nfs/dbraw/zinc/14/61/48/412146148.db2.gz RYLYSUYRUFWMPB-WDEREUQCSA-N 2 0 225.336 0.230 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662397322 412147158 /nfs/dbraw/zinc/14/71/58/412147158.db2.gz CRDOVOOBGXZXCX-CYBMUJFWSA-N 2 0 247.342 0.947 20 0 BCADRP C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000662402544 412149343 /nfs/dbraw/zinc/14/93/43/412149343.db2.gz BPDYTGCOIPKNNT-VLEAKVRGSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000662402541 412149379 /nfs/dbraw/zinc/14/93/79/412149379.db2.gz BPDYTGCOIPKNNT-GWOFURMSSA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000662402785 412150233 /nfs/dbraw/zinc/15/02/33/412150233.db2.gz NOFCJAWJBCGMFC-NXEZZACHSA-N 2 0 213.325 0.243 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000662406354 412152305 /nfs/dbraw/zinc/15/23/05/412152305.db2.gz WNXUROZYMHEJQE-GARJFASQSA-N 2 0 225.336 0.230 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCCC[NH2+]C(C)C ZINC000662409691 412153988 /nfs/dbraw/zinc/15/39/88/412153988.db2.gz MIUSYNWKXZYHQW-SNVBAGLBSA-N 2 0 215.341 0.489 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]1)C1([NH2+]C2CC2)CCC1 ZINC000662410664 412154696 /nfs/dbraw/zinc/15/46/96/412154696.db2.gz CCZGFOYXXJGRCG-LLVKDONJSA-N 2 0 237.347 0.529 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000662411824 412155926 /nfs/dbraw/zinc/15/59/26/412155926.db2.gz AHSLQCMWEGVFRE-MNOVXSKESA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCC2(C)C)CC[C@H]1[NH3+] ZINC000662416573 412158345 /nfs/dbraw/zinc/15/83/45/412158345.db2.gz DBXOQAXETPLTNS-MXWKQRLJSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC([NH2+]C)CC1 ZINC000662416466 412158573 /nfs/dbraw/zinc/15/85/73/412158573.db2.gz YONOYBSUWHBJTE-JTQLQIEISA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000662416362 412158979 /nfs/dbraw/zinc/15/89/79/412158979.db2.gz CHNHZJMGQAYRRR-AEJSXWLSSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[C@H]1[NH3+] ZINC000662418129 412159454 /nfs/dbraw/zinc/15/94/54/412159454.db2.gz PKIDOFOZMSNZFF-ZDCRXTMVSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)c1cccc2c1C[NH2+]C2 ZINC000662418366 412159824 /nfs/dbraw/zinc/15/98/24/412159824.db2.gz SSGXDFUMGSXVOJ-SECBINFHSA-N 2 0 233.315 0.709 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662420823 412161791 /nfs/dbraw/zinc/16/17/91/412161791.db2.gz JNDMZGWCKIZONR-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000662423681 412162504 /nfs/dbraw/zinc/16/25/04/412162504.db2.gz PBOHZSNABKPANB-ONGXEEELSA-N 2 0 215.341 0.474 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000662422565 412162979 /nfs/dbraw/zinc/16/29/79/412162979.db2.gz JVKYXWJKYQKTJC-UTUOFQBUSA-N 2 0 239.363 0.620 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000662422117 412163076 /nfs/dbraw/zinc/16/30/76/412163076.db2.gz ZIBAPCUMTNFRHA-VWYCJHECSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662423947 412163995 /nfs/dbraw/zinc/16/39/95/412163995.db2.gz QEDJDVPJYBSIIE-GWOFURMSSA-N 2 0 225.336 0.310 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662425205 412165373 /nfs/dbraw/zinc/16/53/73/412165373.db2.gz BYBLFOQOZCCDDM-VWYCJHECSA-N 2 0 225.336 0.337 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662427402 412166507 /nfs/dbraw/zinc/16/65/07/412166507.db2.gz OEFVGMPFORHYEI-JTQLQIEISA-N 2 0 241.379 0.818 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)CC1([NH3+])CC1 ZINC000662428364 412166947 /nfs/dbraw/zinc/16/69/47/412166947.db2.gz YNMBCZJLMOEKNY-UHFFFAOYSA-N 2 0 213.325 0.311 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)CC1([NH3+])CC1 ZINC000662428014 412167447 /nfs/dbraw/zinc/16/74/47/412167447.db2.gz WIKUWKACOKSUAK-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP COC1CC(CC[NH2+][C@H](C)C2C[NH2+]C2)C1 ZINC000665230870 412167950 /nfs/dbraw/zinc/16/79/50/412167950.db2.gz XJZQLIHNTQCAEA-GRZMOONWSA-N 2 0 212.337 0.999 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])COC(C)C ZINC000662430030 412168256 /nfs/dbraw/zinc/16/82/56/412168256.db2.gz SZTXXXSWKLEDMI-QWRGUYRKSA-N 2 0 245.367 0.372 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000662432280 412170356 /nfs/dbraw/zinc/17/03/56/412170356.db2.gz NAMMAVOVYVVVMD-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])[C@H]1CCOC1 ZINC000665235057 412173844 /nfs/dbraw/zinc/17/38/44/412173844.db2.gz OVSAGGIPULMWDB-NNYUYHANSA-N 2 0 228.336 0.507 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000662439521 412174661 /nfs/dbraw/zinc/17/46/61/412174661.db2.gz NCKWQTFRGBUTBP-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP C[NH+](C)C1(CNC(=O)[C@H]2C[C@H]([NH3+])C2)CCCC1 ZINC000662662459 412262311 /nfs/dbraw/zinc/26/23/11/412262311.db2.gz RKNHISLJTUENRI-XYPYZODXSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@H](C(=O)N1CC2CC1(C[NH3+])C2)[C@@H](C)[NH3+] ZINC000662683936 412269333 /nfs/dbraw/zinc/26/93/33/412269333.db2.gz XMKGQOIEVQPICE-JJOYANBFSA-N 2 0 239.363 0.556 20 0 BCADRP C[NH+](C)CC1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662682476 412269691 /nfs/dbraw/zinc/26/96/91/412269691.db2.gz ICDSOVSSXVKSOX-HAQNSBGRSA-N 2 0 239.363 0.524 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000662682692 412269739 /nfs/dbraw/zinc/26/97/39/412269739.db2.gz RZNWDXGPLARDIS-FIQHERPVSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000662686515 412270920 /nfs/dbraw/zinc/27/09/20/412270920.db2.gz GOUAWTHSDBZGHT-FIQHERPVSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@@H]1CCN(C(=O)CC(F)(F)CN)[C@H](C[NH3+])C1 ZINC000662701040 412275645 /nfs/dbraw/zinc/27/56/45/412275645.db2.gz MLBNYRVNTYHHJH-BDAKNGLRSA-N 2 0 249.305 0.556 20 0 BCADRP C[C@@H]1CCN(C(=O)CC(C)(C)[NH3+])[C@H](C[NH3+])C1 ZINC000662698767 412275790 /nfs/dbraw/zinc/27/57/90/412275790.db2.gz QFLUIKNZRIQYQG-ZJUUUORDSA-N 2 0 227.352 0.700 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662701747 412275798 /nfs/dbraw/zinc/27/57/98/412275798.db2.gz UWDMWCXBSKPXEB-GMTAPVOTSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000662699628 412275939 /nfs/dbraw/zinc/27/59/39/412275939.db2.gz DAROEYVZGNFPKJ-XYPYZODXSA-N 2 0 248.330 0.853 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000662699083 412276004 /nfs/dbraw/zinc/27/60/04/412276004.db2.gz WEPKZRQXWOBHLQ-BBBLOLIVSA-N 2 0 213.325 0.310 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662715160 412280773 /nfs/dbraw/zinc/28/07/73/412280773.db2.gz OIONGJIESDNLSP-PCQVFGIUSA-N 2 0 237.347 0.372 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000662722574 412282947 /nfs/dbraw/zinc/28/29/47/412282947.db2.gz ACVYUFOULHHPTM-ZJUUUORDSA-N 2 0 215.341 0.459 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C[N@H+](C)C(C)C ZINC000662726851 412284739 /nfs/dbraw/zinc/28/47/39/412284739.db2.gz NVMSITGEEQAJDT-LLVKDONJSA-N 2 0 229.368 0.816 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000662728053 412285181 /nfs/dbraw/zinc/28/51/81/412285181.db2.gz FIMWKRYTFHBIOQ-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C(C)(C)C[NH3+] ZINC000662730318 412285192 /nfs/dbraw/zinc/28/51/92/412285192.db2.gz CJEBFESRMZDOGK-SECBINFHSA-N 2 0 215.341 0.461 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000662731115 412286680 /nfs/dbraw/zinc/28/66/80/412286680.db2.gz YRHXHSLNBVPDEB-HBNTYKKESA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000662731085 412286873 /nfs/dbraw/zinc/28/68/73/412286873.db2.gz XVZFYYJJQFFYOU-NQBHXWOUSA-N 2 0 239.363 0.476 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662732151 412287000 /nfs/dbraw/zinc/28/70/00/412287000.db2.gz LBFUIATUGAQLPR-MXWKQRLJSA-N 2 0 227.352 0.603 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000662568720 412216172 /nfs/dbraw/zinc/21/61/72/412216172.db2.gz KIIYNAIJVOMLNM-GHMZBOCLSA-N 2 0 227.352 0.633 20 0 BCADRP CC[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[C@@H]1[NH3+] ZINC000662556562 412216244 /nfs/dbraw/zinc/21/62/44/412216244.db2.gz ALDMDSFGNCBOCD-USZNOCQGSA-N 2 0 239.363 0.700 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000662557150 412216325 /nfs/dbraw/zinc/21/63/25/412216325.db2.gz GPXQEHCLECVDFK-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H](CC)[NH2+]C ZINC000662559055 412217267 /nfs/dbraw/zinc/21/72/67/412217267.db2.gz PVGMVLGBIXSGIH-BDAKNGLRSA-N 2 0 201.314 0.099 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000662559451 412217918 /nfs/dbraw/zinc/21/79/18/412217918.db2.gz ACACTQFQMDZFLC-MMWGEVLESA-N 2 0 225.336 0.371 20 0 BCADRP CCS(=O)(=O)C1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000665275875 412218570 /nfs/dbraw/zinc/21/85/70/412218570.db2.gz UYGJARBJCKDYLZ-NXEZZACHSA-N 2 0 248.392 0.669 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000662564732 412220053 /nfs/dbraw/zinc/22/00/53/412220053.db2.gz VKDBNJSJSFXUKU-UWVGGRQHSA-N 2 0 215.341 0.618 20 0 BCADRP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1CCOC1 ZINC000665277504 412220275 /nfs/dbraw/zinc/22/02/75/412220275.db2.gz CUCLWIPLPFRPKU-ZYGVAYEYSA-N 2 0 210.321 0.753 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000662564446 412220333 /nfs/dbraw/zinc/22/03/33/412220333.db2.gz QMLAQKOJYOUHNU-JTQLQIEISA-N 2 0 215.341 0.618 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H](C)CCC[NH3+] ZINC000662567578 412222184 /nfs/dbraw/zinc/22/21/84/412222184.db2.gz GPMBIQKBFNUWQH-SECBINFHSA-N 2 0 201.314 0.228 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662566742 412222349 /nfs/dbraw/zinc/22/23/49/412222349.db2.gz QSRBBRUEGPPUPK-JTQLQIEISA-N 2 0 233.315 0.757 20 0 BCADRP CC1(C)CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000662571505 412224169 /nfs/dbraw/zinc/22/41/69/412224169.db2.gz IEKJLVZJMCTVJZ-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665279959 412224880 /nfs/dbraw/zinc/22/48/80/412224880.db2.gz QFDSAIZZPJHHBU-QBHFIFKDSA-N 2 0 223.364 0.988 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000662572640 412224930 /nfs/dbraw/zinc/22/49/30/412224930.db2.gz ZZAIZPNIMHMVDD-NXEZZACHSA-N 2 0 227.352 0.489 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000662571788 412224944 /nfs/dbraw/zinc/22/49/44/412224944.db2.gz KMOVVUQVOZUKGH-GHMZBOCLSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000662571593 412224963 /nfs/dbraw/zinc/22/49/63/412224963.db2.gz UBWQBILCAKOQSG-UTLUCORTSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@H]1C[NH3+] ZINC000662574543 412225991 /nfs/dbraw/zinc/22/59/91/412225991.db2.gz ORTLJNBCDXDLAW-QCNOEVLYSA-N 2 0 239.363 0.557 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N(C)CC[NH3+] ZINC000662573921 412225995 /nfs/dbraw/zinc/22/59/95/412225995.db2.gz HZYGJSPPRQUFRF-JTQLQIEISA-N 2 0 215.341 0.415 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@@]1(C)C[NH3+] ZINC000662574033 412226342 /nfs/dbraw/zinc/22/63/42/412226342.db2.gz KVCSAXWJCCBZQO-HNCHTBHHSA-N 2 0 239.363 0.557 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC(CC[NH3+])CC1 ZINC000662584601 412230878 /nfs/dbraw/zinc/23/08/78/412230878.db2.gz PKDJLYCFOKRCJA-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662589731 412232661 /nfs/dbraw/zinc/23/26/61/412232661.db2.gz CZCSHBHGPQIXIV-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CCC[NH3+])C1 ZINC000662594488 412233421 /nfs/dbraw/zinc/23/34/21/412233421.db2.gz UHOYJFGDYRIPCS-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662592382 412234189 /nfs/dbraw/zinc/23/41/89/412234189.db2.gz FUGYABKEJUPCGC-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621533 412234320 /nfs/dbraw/zinc/23/43/20/412234320.db2.gz IXEHLSLVCRWSIQ-RKDXNWHRSA-N 2 0 213.325 0.323 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662602043 412235092 /nfs/dbraw/zinc/23/50/92/412235092.db2.gz MCXIGNHILMWHRZ-QMMMGPOBSA-N 2 0 201.314 0.180 20 0 BCADRP CC(C)[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665289073 412235366 /nfs/dbraw/zinc/23/53/66/412235366.db2.gz FSQHBOCBIPQYNR-QMMMGPOBSA-N 2 0 224.308 0.775 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)CC[NH2+]C1CC1 ZINC000662602039 412235510 /nfs/dbraw/zinc/23/55/10/412235510.db2.gz LXOTXQHJVAGCOX-UHFFFAOYSA-N 2 0 213.325 0.324 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662602747 412236276 /nfs/dbraw/zinc/23/62/76/412236276.db2.gz QCXPCRYUNKCZST-GHMZBOCLSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662604167 412236291 /nfs/dbraw/zinc/23/62/91/412236291.db2.gz CQAMJQJMJCEDQI-DTWKUNHWSA-N 2 0 213.325 0.180 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000662603612 412236445 /nfs/dbraw/zinc/23/64/45/412236445.db2.gz YBTLTTUKFPZYPX-ZWNOBZJWSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662604170 412236818 /nfs/dbraw/zinc/23/68/18/412236818.db2.gz CQAMJQJMJCEDQI-RKDXNWHRSA-N 2 0 213.325 0.180 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)CC(C)(C)[NH3+] ZINC000662605724 412237368 /nfs/dbraw/zinc/23/73/68/412237368.db2.gz RCRQKLZGDNCOPR-UHFFFAOYSA-N 2 0 201.314 0.310 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]([NH3+])CC(F)F ZINC000662606041 412237970 /nfs/dbraw/zinc/23/79/70/412237970.db2.gz WHPNKQRCDZWTNO-ZCFIWIBFSA-N 2 0 223.267 0.165 20 0 BCADRP CC[C@@H]1CC[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665293290 412238792 /nfs/dbraw/zinc/23/87/92/412238792.db2.gz XIMBUDJUVZYBPU-SCZZXKLOSA-N 2 0 236.319 0.919 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662622317 412244189 /nfs/dbraw/zinc/24/41/89/412244189.db2.gz QKPUPFQIKBHSKI-ZJUUUORDSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621529 412244719 /nfs/dbraw/zinc/24/47/19/412244719.db2.gz IXEHLSLVCRWSIQ-BDAKNGLRSA-N 2 0 213.325 0.323 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662619954 412245193 /nfs/dbraw/zinc/24/51/93/412245193.db2.gz RLOGMNPQFWMKTO-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCOCCF ZINC000665299355 412248261 /nfs/dbraw/zinc/24/82/61/412248261.db2.gz LJHXFUQWVORAIF-VHSXEESVSA-N 2 0 204.289 0.690 20 0 BCADRP C[NH2+]C[C@@H](C)NC1CC[NH+](C2CC2)CC1 ZINC000665299230 412248307 /nfs/dbraw/zinc/24/83/07/412248307.db2.gz IZIDUYPQENFTJR-SNVBAGLBSA-N 2 0 211.353 0.811 20 0 BCADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)S(C)(=O)=O ZINC000665299611 412248473 /nfs/dbraw/zinc/24/84/73/412248473.db2.gz QFNHDLSEDJHZJG-MXWKQRLJSA-N 2 0 248.392 0.397 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](C)S(C)(=O)=O ZINC000665299624 412248631 /nfs/dbraw/zinc/24/86/31/412248631.db2.gz QKSPUGZVKNLCDW-UWVGGRQHSA-N 2 0 236.381 0.527 20 0 BCADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)S(C)(=O)=O ZINC000665299610 412248647 /nfs/dbraw/zinc/24/86/47/412248647.db2.gz QFNHDLSEDJHZJG-GMTAPVOTSA-N 2 0 248.392 0.397 20 0 BCADRP C[C@H](CCNC(=O)C1CC[NH2+]CC1)[NH+](C)C ZINC000662632357 412249722 /nfs/dbraw/zinc/24/97/22/412249722.db2.gz CNZHKAMJXRMVMA-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H](CCNC(=O)CC(C)(C)[NH3+])[NH+](C)C ZINC000662635061 412251080 /nfs/dbraw/zinc/25/10/80/412251080.db2.gz USNXDIAXLUYGKO-SECBINFHSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@H](CCNC(=O)[C@]1(C)CC[NH2+]C1)[NH+](C)C ZINC000662635021 412251114 /nfs/dbraw/zinc/25/11/14/412251114.db2.gz TYBIQCWSDRMXDV-ZYHUDNBSSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H](CCNC(=O)CC[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000662636056 412252350 /nfs/dbraw/zinc/25/23/50/412252350.db2.gz XRIBWPFJFDWJQA-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662795122 412305148 /nfs/dbraw/zinc/30/51/48/412305148.db2.gz XAQWVDNWXXWZMI-BJDJZHNGSA-N 2 0 239.363 0.522 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)[C@@H]2C1 ZINC000662806620 412307571 /nfs/dbraw/zinc/30/75/71/412307571.db2.gz SJMYKKQYBBYCML-DDHJBXDOSA-N 2 0 237.347 0.276 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)[C@H]2C1 ZINC000662806622 412307948 /nfs/dbraw/zinc/30/79/48/412307948.db2.gz SJMYKKQYBBYCML-KKOKHZNYSA-N 2 0 237.347 0.276 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000662815380 412308677 /nfs/dbraw/zinc/30/86/77/412308677.db2.gz DJGMZISLUFFUKI-NWDGAFQWSA-N 2 0 247.342 0.901 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CC1([NH3+])CC1 ZINC000662815732 412309153 /nfs/dbraw/zinc/30/91/53/412309153.db2.gz TYWXGEVGACXZQB-MRVPVSSYSA-N 2 0 213.325 0.357 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000662818414 412310103 /nfs/dbraw/zinc/31/01/03/412310103.db2.gz XIAATDXKZTUOKO-WYUUTHIRSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000662820146 412310744 /nfs/dbraw/zinc/31/07/44/412310744.db2.gz QJDHPSLIGLROQM-NXEZZACHSA-N 2 0 213.325 0.371 20 0 BCADRP CC(C)[NH2+]CC(=O)NCCC[NH2+]C1CC1 ZINC000662822913 412311759 /nfs/dbraw/zinc/31/17/59/412311759.db2.gz FKLDCWRBMNUCCF-UHFFFAOYSA-N 2 0 213.325 0.243 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000662822532 412311903 /nfs/dbraw/zinc/31/19/03/412311903.db2.gz OWBJEWQXUUCSLA-DCAQKATOSA-N 2 0 237.347 0.515 20 0 BCADRP [NH3+]C1(CC(=O)N[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000662825775 412313097 /nfs/dbraw/zinc/31/30/97/412313097.db2.gz XXDNZXUUTPTAJW-JTQLQIEISA-N 2 0 237.347 0.659 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000662830424 412313596 /nfs/dbraw/zinc/31/35/96/412313596.db2.gz LHXMMBLLKLETQU-XYPYZODXSA-N 2 0 225.336 0.230 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000662834893 412315555 /nfs/dbraw/zinc/31/55/55/412315555.db2.gz XUQBSERSXAXWFV-AEJSXWLSSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)[NH3+])CC[N@@H+]1C ZINC000662845379 412319961 /nfs/dbraw/zinc/31/99/61/412319961.db2.gz QBVLGFYPLVMMSX-NXEZZACHSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@@H](CCNC(=O)[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000662860374 412328381 /nfs/dbraw/zinc/32/83/81/412328381.db2.gz RIZXYWCUSAYDCJ-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+]CC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663001682 412366992 /nfs/dbraw/zinc/36/69/92/412366992.db2.gz XPNNJAIVJOJJIL-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000662873548 412332387 /nfs/dbraw/zinc/33/23/87/412332387.db2.gz ZIODHFJBQISFOP-FGNRJIRKSA-N 2 0 239.363 0.726 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662925720 412347473 /nfs/dbraw/zinc/34/74/73/412347473.db2.gz KLFUUZOMRHDGPT-OPRDCNLKSA-N 2 0 213.325 0.213 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000662952743 412352284 /nfs/dbraw/zinc/35/22/84/412352284.db2.gz GCRXFEUMYSRQNM-ZWNOBZJWSA-N 2 0 247.342 0.425 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@@H](C)C[NH2+]C ZINC000662966115 412352463 /nfs/dbraw/zinc/35/24/63/412352463.db2.gz PJTKALIDMGZZJE-VIFPVBQESA-N 2 0 215.341 0.476 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@H]([NH2+]C)C2)CC[NH2+]C1 ZINC000370848012 171710596 /nfs/dbraw/zinc/71/05/96/171710596.db2.gz WJZXYXKNWNNJJX-JQWIXIFHSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000134366565 171711448 /nfs/dbraw/zinc/71/14/48/171711448.db2.gz GEPXAPPCMZSQHW-DGCLKSJQSA-N 2 0 239.363 0.634 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C1([NH3+])CCCCC1 ZINC000662954753 412353681 /nfs/dbraw/zinc/35/36/81/412353681.db2.gz YVOODMUDEJSYIA-SECBINFHSA-N 2 0 213.325 0.372 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000662966143 412357423 /nfs/dbraw/zinc/35/74/23/412357423.db2.gz QBLPOIQTSHUYDJ-JBLDHEPKSA-N 2 0 227.352 0.618 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H](C)C[NH2+]C ZINC000662965344 412357617 /nfs/dbraw/zinc/35/76/17/412357617.db2.gz PHDBOAFHPCYLKK-IUCAKERBSA-N 2 0 201.314 0.099 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]C ZINC000662966392 412358327 /nfs/dbraw/zinc/35/83/27/412358327.db2.gz RBBACCSFIYRPHI-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000662968504 412359900 /nfs/dbraw/zinc/35/99/00/412359900.db2.gz JGVOSJIMOAMWBF-VHSXEESVSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000662747286 412289715 /nfs/dbraw/zinc/28/97/15/412289715.db2.gz YZYWPXZIPVMLGK-BJDJZHNGSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662744603 412290178 /nfs/dbraw/zinc/29/01/78/412290178.db2.gz AEDPEUBHUJAANJ-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP Cc1nc[nH]c1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662752974 412291340 /nfs/dbraw/zinc/29/13/40/412291340.db2.gz MLAWYQKSPIGORD-JTQLQIEISA-N 2 0 236.319 0.722 20 0 BCADRP Cc1nc[nH]c1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662753902 412291413 /nfs/dbraw/zinc/29/14/13/412291413.db2.gz YZZQOHWLLFXLKG-ZKCHVHJHSA-N 2 0 208.265 0.072 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000662754485 412291534 /nfs/dbraw/zinc/29/15/34/412291534.db2.gz PCYMLEPBLIOMRM-NAKRPEOUSA-N 2 0 237.347 0.465 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662750054 412291708 /nfs/dbraw/zinc/29/17/08/412291708.db2.gz OPNAHWSKDXJXTA-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662748468 412291842 /nfs/dbraw/zinc/29/18/42/412291842.db2.gz VMXWRVCFIUNJSV-NXEZZACHSA-N 2 0 231.315 0.226 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662756927 412292783 /nfs/dbraw/zinc/29/27/83/412292783.db2.gz JVSJOCAZGQHJLN-RKDXNWHRSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662759286 412292984 /nfs/dbraw/zinc/29/29/84/412292984.db2.gz YYMSABSEWJMARJ-ZETCQYMHSA-N 2 0 240.307 0.193 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000662762785 412294033 /nfs/dbraw/zinc/29/40/33/412294033.db2.gz BYQBMYLYLFWLQD-NXEZZACHSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+]CCOc1ccc(NC(=O)CC2([NH3+])CC2)cc1 ZINC000662764607 412294581 /nfs/dbraw/zinc/29/45/81/412294581.db2.gz KWQLKLGZDCPMBX-UHFFFAOYSA-N 2 0 249.314 0.844 20 0 BCADRP C[C@@H]1CN(C(=O)CC2([NH3+])CC2)[C@@H](C)C[NH2+]1 ZINC000662764002 412294996 /nfs/dbraw/zinc/29/49/96/412294996.db2.gz HCLNZZJNDHHGJE-BDAKNGLRSA-N 2 0 211.309 0.077 20 0 BCADRP [NH3+]C1(CC(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000662770341 412297478 /nfs/dbraw/zinc/29/74/78/412297478.db2.gz UMNMCGYMUYCFMY-SECBINFHSA-N 2 0 211.309 0.126 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000662770350 412297572 /nfs/dbraw/zinc/29/75/72/412297572.db2.gz UOPPPELRHFAEOF-WDEREUQCSA-N 2 0 239.363 0.633 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000662774859 412297862 /nfs/dbraw/zinc/29/78/62/412297862.db2.gz SSDRUIWOXXAHKE-ZWNOBZJWSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000662779612 412299907 /nfs/dbraw/zinc/29/99/07/412299907.db2.gz UJYZPWHJPFHHDW-GVXVVHGQSA-N 2 0 237.347 0.326 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662781559 412300641 /nfs/dbraw/zinc/30/06/41/412300641.db2.gz DCYOQSKLSHULOU-LLVKDONJSA-N 2 0 247.342 0.799 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)CC1([NH3+])CC1 ZINC000662783181 412300741 /nfs/dbraw/zinc/30/07/41/412300741.db2.gz JRXBKAJKJYDZJI-QMMMGPOBSA-N 2 0 211.309 0.125 20 0 BCADRP CC1(C)CN(C(=O)CC2([NH3+])CC2)CC[NH2+]1 ZINC000662782083 412300829 /nfs/dbraw/zinc/30/08/29/412300829.db2.gz AOSOWKZTSYQNJD-UHFFFAOYSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662784497 412301422 /nfs/dbraw/zinc/30/14/22/412301422.db2.gz QJUOLAYFXRJDNI-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662785892 412301824 /nfs/dbraw/zinc/30/18/24/412301824.db2.gz WSUFREJMVFETAX-XHNCKOQMSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662783733 412301835 /nfs/dbraw/zinc/30/18/35/412301835.db2.gz QXCATHTXYVEXDS-BQBZGAKWSA-N 2 0 240.307 0.334 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662792252 412304195 /nfs/dbraw/zinc/30/41/95/412304195.db2.gz PUFMYOYKIPUUGR-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@]1(NC(=O)[C@H]2CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC000663010022 412369132 /nfs/dbraw/zinc/36/91/32/412369132.db2.gz HMVSVCVSSPVVKE-PWSUYJOCSA-N 2 0 237.347 0.244 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663011297 412369742 /nfs/dbraw/zinc/36/97/42/412369742.db2.gz OUNGGUOSWCVGEF-LLVKDONJSA-N 2 0 213.325 0.196 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663012787 412370585 /nfs/dbraw/zinc/37/05/85/412370585.db2.gz ZFRTVHFAXJNUKO-WZRBSPASSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663013628 412370751 /nfs/dbraw/zinc/37/07/51/412370751.db2.gz FAAISGMLQIPPGG-WCQYABFASA-N 2 0 241.379 0.866 20 0 BCADRP C[C@]1(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC[NH2+]C1 ZINC000663013911 412370766 /nfs/dbraw/zinc/37/07/66/412370766.db2.gz HHSHWIVIQIHTSI-DRZSPHRISA-N 2 0 237.347 0.244 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663012786 412370939 /nfs/dbraw/zinc/37/09/39/412370939.db2.gz ZFRTVHFAXJNUKO-NTZNESFSSA-N 2 0 239.363 0.727 20 0 BCADRP NC(=[NH2+])NCC1CC[NH+](CC2CC2)CC1 ZINC000663233089 412395540 /nfs/dbraw/zinc/39/55/40/412395540.db2.gz BIRZSSPHMUMUAC-UHFFFAOYSA-N 2 0 210.325 0.591 20 0 BCADRP CCc1nocc1CNC[C@]1(O)CC[N@H+](C)C1 ZINC000339350116 172102021 /nfs/dbraw/zinc/10/20/21/172102021.db2.gz XPJWXEUWXRBDMZ-GFCCVEGCSA-N 2 0 239.319 0.393 20 0 BCADRP CN(C(=O)C(C)(C)[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336598378 172295500 /nfs/dbraw/zinc/29/55/00/172295500.db2.gz RIKZEWQJLDNUKS-SNVBAGLBSA-N 2 0 225.336 0.419 20 0 BCADRP CN(C(=O)[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000336315567 172328784 /nfs/dbraw/zinc/32/87/84/172328784.db2.gz OXZVFWRCYPZEKT-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP CN(C(=O)[C@H]1CCC[NH2+]C1)[C@H](C[NH3+])C1CC1 ZINC000332171478 172333949 /nfs/dbraw/zinc/33/39/49/172333949.db2.gz UEQHIJFAZRMQQS-WDEREUQCSA-N 2 0 225.336 0.182 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000037898076 172357407 /nfs/dbraw/zinc/35/74/07/172357407.db2.gz DZXSASTWFAXLLL-JTQLQIEISA-N 2 0 213.325 0.135 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309395281 172358495 /nfs/dbraw/zinc/35/84/95/172358495.db2.gz STSRGIOOJSEEJT-MNOVXSKESA-N 2 0 225.336 0.006 20 0 BCADRP CN(C)C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063199732 172364248 /nfs/dbraw/zinc/36/42/48/172364248.db2.gz IFAAFZIRHRTEKH-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C1(C[NH3+])CCCC1 ZINC000044764315 172393612 /nfs/dbraw/zinc/39/36/12/172393612.db2.gz VGOLQIRWFNUSSU-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]([NH3+])CC(F)F ZINC000309205964 172395462 /nfs/dbraw/zinc/39/54/62/172395462.db2.gz PXPAJWKOFYYPIW-SSDOTTSWSA-N 2 0 237.294 0.425 20 0 BCADRP C[NH+](C)CCCCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000336713171 172428200 /nfs/dbraw/zinc/42/82/00/172428200.db2.gz OFVOMNOCSZYUCS-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH+](C)CCCCNC(=O)C[C@H]1CCC[C@@H]1[NH3+] ZINC000340127609 172428824 /nfs/dbraw/zinc/42/88/24/172428824.db2.gz WJRYEJJMPXXPMV-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH+](C)CCCNC(=O)C1(C[NH3+])CCCC1 ZINC000044753420 172435842 /nfs/dbraw/zinc/43/58/42/172435842.db2.gz ROFBYKAIOMTSEI-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP C[N@@H+]1CCCN(c2nccnc2C[NH3+])CC1 ZINC000054377028 173018663 /nfs/dbraw/zinc/01/86/63/173018663.db2.gz SUSJQJLKGBAFBC-UHFFFAOYSA-N 2 0 221.308 0.077 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000044751867 173020749 /nfs/dbraw/zinc/02/07/49/173020749.db2.gz QIKZJBQTJPBTNM-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000040673650 173021603 /nfs/dbraw/zinc/02/16/03/173021603.db2.gz KGCRAVLVHMHPOU-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000114072982 173025019 /nfs/dbraw/zinc/02/50/19/173025019.db2.gz MGIWQSZDZNZZOJ-SNVBAGLBSA-N 2 0 227.352 0.537 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CCN1CC[C@](F)(CO)C1 ZINC000338590816 173026791 /nfs/dbraw/zinc/02/67/91/173026791.db2.gz UQUDIKRAGOXDEY-VXGBXAGGSA-N 2 0 230.327 0.877 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CCN1CC[C@@](F)(CO)C1 ZINC000338590804 173028639 /nfs/dbraw/zinc/02/86/39/173028639.db2.gz UQUDIKRAGOXDEY-NEPJUHHUSA-N 2 0 230.327 0.877 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](CCO)CC1 ZINC000305100184 173028728 /nfs/dbraw/zinc/02/87/28/173028728.db2.gz BBNZPTFPBPJQHA-CYBMUJFWSA-N 2 0 241.379 0.081 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000224049175 173030951 /nfs/dbraw/zinc/03/09/51/173030951.db2.gz VHXFTZUSRCDXNG-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000044538870 173042708 /nfs/dbraw/zinc/04/27/08/173042708.db2.gz DUCWTLAITZXQCO-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000333755446 173052751 /nfs/dbraw/zinc/05/27/51/173052751.db2.gz AQDFJSTWGBRMMW-QWRGUYRKSA-N 2 0 240.351 0.117 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000333755449 173055718 /nfs/dbraw/zinc/05/57/18/173055718.db2.gz AQDFJSTWGBRMMW-WDEREUQCSA-N 2 0 240.351 0.117 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000224046553 173057596 /nfs/dbraw/zinc/05/75/96/173057596.db2.gz QYAMNNVLVGAEPJ-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH+]1CCN(CCC[NH2+]Cc2ncc[nH]2)CC1 ZINC000049714670 173078371 /nfs/dbraw/zinc/07/83/71/173078371.db2.gz DYQZSZTYLGFRBJ-UHFFFAOYSA-N 2 0 237.351 0.137 20 0 BCADRP C[NH+]1CCN(CCC[NH2+]Cc2ccncc2)CC1 ZINC000020128357 173079259 /nfs/dbraw/zinc/07/92/59/173079259.db2.gz ZNZDVQJGAXKXHM-UHFFFAOYSA-N 2 0 248.374 0.809 20 0 BCADRP CN1CC[N@H+](CCOCC[NH3+])Cc2ccccc21 ZINC000357065401 173081520 /nfs/dbraw/zinc/08/15/20/173081520.db2.gz ADOPOWOYBCVBSS-UHFFFAOYSA-N 2 0 249.358 0.914 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000044763034 173115385 /nfs/dbraw/zinc/11/53/85/173115385.db2.gz OINFDZULLPVYOW-NSHDSACASA-N 2 0 239.363 0.573 20 0 BCADRP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000114073949 173116150 /nfs/dbraw/zinc/11/61/50/173116150.db2.gz CAWUWUIGPHGTIR-QWRGUYRKSA-N 2 0 225.336 0.149 20 0 BCADRP C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000336358747 173141713 /nfs/dbraw/zinc/14/17/13/173141713.db2.gz JIBZJBNGOMPNRF-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000336615059 173141826 /nfs/dbraw/zinc/14/18/26/173141826.db2.gz HTTBKSRNHJGQBJ-RYUDHWBXSA-N 2 0 239.363 0.491 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000040464042 173144933 /nfs/dbraw/zinc/14/49/33/173144933.db2.gz PBBMBDVLQNOLNX-NXEZZACHSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000114073947 173145727 /nfs/dbraw/zinc/14/57/27/173145727.db2.gz CAWUWUIGPHGTIR-MNOVXSKESA-N 2 0 225.336 0.149 20 0 BCADRP CN1CC[C@H]([N@H+](C)CCCn2ccnc2)C1=O ZINC000124312125 173148554 /nfs/dbraw/zinc/14/85/54/173148554.db2.gz VTBQLXPOXJNMPA-NSHDSACASA-N 2 0 236.319 0.436 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]CCOCCO)[C@H]2CCC[C@H]21 ZINC000368609472 173151856 /nfs/dbraw/zinc/15/18/56/173151856.db2.gz YMXZYHZFCVVZSR-FRRDWIJNSA-N 2 0 242.363 0.458 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336450902 173168900 /nfs/dbraw/zinc/16/89/00/173168900.db2.gz IHFLTLGCOSEQEO-ZDUSSCGKSA-N 2 0 239.363 0.492 20 0 BCADRP CN1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1=O ZINC000310126694 173195119 /nfs/dbraw/zinc/19/51/19/173195119.db2.gz GCQABGAGVMEWOW-RDFFEMEHSA-N 2 0 237.347 0.432 20 0 BCADRP Cn1nccc1CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000374760419 173197378 /nfs/dbraw/zinc/19/73/78/173197378.db2.gz JJUBEWSFHSQVJX-TXEJJXNPSA-N 2 0 234.347 0.456 20 0 BCADRP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCCC[C@@H]3O)C[C@@H]2C1 ZINC000193597056 173197596 /nfs/dbraw/zinc/19/75/96/173197596.db2.gz KXQIJELNNDEKMN-XQHKEYJVSA-N 2 0 224.348 0.783 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000322991539 173280221 /nfs/dbraw/zinc/28/02/21/173280221.db2.gz CTBRJYNNKDRHNM-LLVKDONJSA-N 2 0 241.379 0.973 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000352687395 173280619 /nfs/dbraw/zinc/28/06/19/173280619.db2.gz WWXZXKOAWZVHDY-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CNC(=O)[C@H](C)N[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000042561636 173303475 /nfs/dbraw/zinc/30/34/75/173303475.db2.gz JHAMDVCITGAUHW-VPOLOUISSA-N 2 0 227.352 0.439 20 0 BCADRP C[NH2+]C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000335622365 173322773 /nfs/dbraw/zinc/32/27/73/173322773.db2.gz ASHXYMUEXPPADD-NSHDSACASA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]CC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000037821702 173326691 /nfs/dbraw/zinc/32/66/91/173326691.db2.gz PKKUGNUQCUWYOL-UHFFFAOYSA-N 2 0 213.325 0.006 20 0 BCADRP C[NH2+]CC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000237224153 173329397 /nfs/dbraw/zinc/32/93/97/173329397.db2.gz ITTYFNKFXQNPQI-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP C[NH2+]CC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000040827146 173330752 /nfs/dbraw/zinc/33/07/52/173330752.db2.gz DRDKMGROTVHQGZ-SECBINFHSA-N 2 0 241.360 0.686 20 0 BCADRP C[NH2+]CC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000237273858 173332677 /nfs/dbraw/zinc/33/26/77/173332677.db2.gz QRTMGVRYNABFQP-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP C[NH2+]CC1CC[NH+](Cc2ccnn2C)CC1 ZINC000063159149 173338255 /nfs/dbraw/zinc/33/82/55/173338255.db2.gz QJJWUXJTYKCWEX-UHFFFAOYSA-N 2 0 222.336 0.852 20 0 BCADRP C[NH2+]CC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000051756260 173338637 /nfs/dbraw/zinc/33/86/37/173338637.db2.gz PYPGCFQMWRWWEJ-LBPRGKRZSA-N 2 0 212.337 0.954 20 0 BCADRP C[NH2+]CCC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357365513 173339123 /nfs/dbraw/zinc/33/91/23/173339123.db2.gz RMLDIUKURDRYNY-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP C[NH2+]CCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000043605232 173339209 /nfs/dbraw/zinc/33/92/09/173339209.db2.gz XIXBUYBSEBWPNJ-UHFFFAOYSA-N 2 0 225.336 0.150 20 0 BCADRP C[NH2+]CCC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377817505 173339432 /nfs/dbraw/zinc/33/94/32/173339432.db2.gz ULYMMVJDLCYUIO-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H](C)Cn1ccnc1 ZINC000285860958 173340663 /nfs/dbraw/zinc/34/06/63/173340663.db2.gz YYKBIHLOGJOXAJ-JTQLQIEISA-N 2 0 224.308 0.245 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250750942 173341369 /nfs/dbraw/zinc/34/13/69/173341369.db2.gz OZLZMOJIMVOWRD-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000221434404 173341724 /nfs/dbraw/zinc/34/17/24/173341724.db2.gz DJAVFUJTDGOVTR-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000357236263 173341750 /nfs/dbraw/zinc/34/17/50/173341750.db2.gz CLQZAKGSMHKXOP-ZJUUUORDSA-N 2 0 225.336 0.337 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000357240793 173341761 /nfs/dbraw/zinc/34/17/61/173341761.db2.gz KGAGLZQTBHDASP-ONGXEEELSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[NH+](C(C)C)CC1 ZINC000037477792 173343637 /nfs/dbraw/zinc/34/36/37/173343637.db2.gz LABUWRGFATUZER-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000369914727 173343735 /nfs/dbraw/zinc/34/37/35/173343735.db2.gz XVDDBADFOAISOU-SDDRHHMPSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[N@H+](C)CC1 ZINC000037477633 173343754 /nfs/dbraw/zinc/34/37/54/173343754.db2.gz VZKYQOJNNKUHJG-UHFFFAOYSA-N 2 0 213.325 0.150 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973214 173343808 /nfs/dbraw/zinc/34/38/08/173343808.db2.gz QRHMJFHBDYNZTA-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000340156189 173343872 /nfs/dbraw/zinc/34/38/72/173343872.db2.gz BENIZRVRTMTLDE-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000237206000 173344328 /nfs/dbraw/zinc/34/43/28/173344328.db2.gz IQJZOSRFTMQQPE-WDEREUQCSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357294263 173344344 /nfs/dbraw/zinc/34/43/44/173344344.db2.gz JCVSDEQRVUDHEF-CKYFFXLPSA-N 2 0 227.352 0.489 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000124633553 173346266 /nfs/dbraw/zinc/34/62/66/173346266.db2.gz VHPJCCWXFXVRPV-ZDUSSCGKSA-N 2 0 249.358 0.797 20 0 BCADRP C[NH2+]CCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000336741005 173346896 /nfs/dbraw/zinc/34/68/96/173346896.db2.gz MVIRLMNVGFWWBC-QJPTWQEYSA-N 3 0 211.353 0.655 20 0 BCADRP C[NH2+]CCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357085425 173347393 /nfs/dbraw/zinc/34/73/93/173347393.db2.gz SVCSRFKMBMVNOI-CYBMUJFWSA-N 3 0 225.380 0.917 20 0 BCADRP C[NH2+]CCC[N@H+](CCCCO)C1CC1 ZINC000308887939 173347450 /nfs/dbraw/zinc/34/74/50/173347450.db2.gz VAOOHVRPIMXKKD-UHFFFAOYSA-N 2 0 200.326 0.833 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000377126196 173348012 /nfs/dbraw/zinc/34/80/12/173348012.db2.gz JDARYMWKNDEDBH-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000195231546 173348088 /nfs/dbraw/zinc/34/80/88/173348088.db2.gz MBCCNLCRYOOGFK-ZDUSSCGKSA-N 2 0 235.331 0.586 20 0 BCADRP C[NH2+]CCCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000195231533 173348566 /nfs/dbraw/zinc/34/85/66/173348566.db2.gz MBCCNLCRYOOGFK-CYBMUJFWSA-N 2 0 235.331 0.586 20 0 BCADRP C[NH2+]CCCN[C@H](C(N)=O)C(C)(C)C ZINC000308873908 173349913 /nfs/dbraw/zinc/34/99/13/173349913.db2.gz MDTUGBUZEKADFU-MRVPVSSYSA-N 2 0 201.314 0.086 20 0 BCADRP C[NH2+]CCN(C)C(=O)C1([NH3+])CCCCC1 ZINC000069803267 173351423 /nfs/dbraw/zinc/35/14/23/173351423.db2.gz ZPLCTKFXBCIUNV-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC000237311910 173351748 /nfs/dbraw/zinc/35/17/48/173351748.db2.gz ZYMJOWHDMMJERY-JTQLQIEISA-N 2 0 215.341 0.250 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000237317155 173351950 /nfs/dbraw/zinc/35/19/50/173351950.db2.gz PUHZPHXENMYXTD-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000228095047 173352187 /nfs/dbraw/zinc/35/21/87/173352187.db2.gz QNWOJIFZDBPYKU-LBPRGKRZSA-N 2 0 235.331 0.673 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000269141664 173354961 /nfs/dbraw/zinc/35/49/61/173354961.db2.gz AOVZYJGRJVBOLP-GFCCVEGCSA-N 2 0 249.358 0.843 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000237061026 173355314 /nfs/dbraw/zinc/35/53/14/173355314.db2.gz JTFUEIARPKWILN-CMPLNLGQSA-N 2 0 235.331 0.658 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000092134905 173362481 /nfs/dbraw/zinc/36/24/81/173362481.db2.gz FLSGOHVUXFDIIH-LLVKDONJSA-N 2 0 241.379 0.642 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000092134585 173362877 /nfs/dbraw/zinc/36/28/77/173362877.db2.gz JGOWFEOVNREQJO-LLVKDONJSA-N 2 0 239.363 0.396 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000336522118 173362880 /nfs/dbraw/zinc/36/28/80/173362880.db2.gz SYRYPTAJKZVSHZ-YPMHNXCESA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H](C[NH3+])C(C)C ZINC000309514689 173363995 /nfs/dbraw/zinc/36/39/95/173363995.db2.gz YHJGSSZMBLBYCV-NXEZZACHSA-N 2 0 215.341 0.189 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]([NH3+])C(C)(C)C ZINC000237313944 173364302 /nfs/dbraw/zinc/36/43/02/173364302.db2.gz LQLPHKHXMGKANV-BDAKNGLRSA-N 2 0 215.341 0.332 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(CC(=O)NC2CC2)C1 ZINC000040601227 173367554 /nfs/dbraw/zinc/36/75/54/173367554.db2.gz PNOUUBPKALEIJC-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000049326195 173367730 /nfs/dbraw/zinc/36/77/30/173367730.db2.gz ZMZUEOQFXPYFQX-LBPRGKRZSA-N 2 0 222.336 0.815 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(CC(=O)NCC(C)C)C1 ZINC000040601180 173367966 /nfs/dbraw/zinc/36/79/66/173367966.db2.gz QOLYRYQZDNNQGZ-LBPRGKRZSA-N 2 0 241.379 0.690 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC000237084319 173368830 /nfs/dbraw/zinc/36/88/30/173368830.db2.gz SAEVTOMLIWUTPL-NSHDSACASA-N 2 0 227.352 0.537 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000237281232 173373387 /nfs/dbraw/zinc/37/33/87/173373387.db2.gz IWVRGZNICIPUIU-WDEREUQCSA-N 2 0 229.368 0.674 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000375936008 173373831 /nfs/dbraw/zinc/37/38/31/173373831.db2.gz YKZVBHHWALOWFW-GARJFASQSA-N 2 0 225.336 0.052 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132898856 173375054 /nfs/dbraw/zinc/37/50/54/173375054.db2.gz XTULJBRPJQIWNS-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@H+](CC(C)(C)O)C1 ZINC000040601599 173378882 /nfs/dbraw/zinc/37/88/82/173378882.db2.gz RCBHVEPHVSNTLD-SNVBAGLBSA-N 2 0 200.326 0.689 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000334932973 173380074 /nfs/dbraw/zinc/38/00/74/173380074.db2.gz DJIATLXHNGCHHA-GHMZBOCLSA-N 2 0 240.351 0.132 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000336269222 173380581 /nfs/dbraw/zinc/38/05/81/173380581.db2.gz SQFGUYKMXWHESY-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC000373425828 173432617 /nfs/dbraw/zinc/43/26/17/173432617.db2.gz GRCBCWCEWMGEGW-MDZLAQPJSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000294733960 173435402 /nfs/dbraw/zinc/43/54/02/173435402.db2.gz JDLLKSHZFLITMF-CHWSQXEVSA-N 2 0 247.342 0.549 20 0 BCADRP COCCCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309037635 174179571 /nfs/dbraw/zinc/17/95/71/174179571.db2.gz JDPCAFKVLZJVOZ-RYUDHWBXSA-N 2 0 212.337 0.954 20 0 BCADRP COCCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000119680263 174215212 /nfs/dbraw/zinc/21/52/12/174215212.db2.gz WEKOAXNEXHSZBH-UHFFFAOYSA-N 2 0 243.395 0.592 20 0 BCADRP COCCC[N@H+](CCOC)C[C@H]1CCC[NH2+]C1 ZINC000042425403 174223315 /nfs/dbraw/zinc/22/33/15/174223315.db2.gz RDKXGNVTICUGCW-ZDUSSCGKSA-N 2 0 244.379 0.971 20 0 BCADRP COCCC[N@H+](CCO)C[C@@]1(C)CC[NH2+]C1 ZINC000340703810 174224474 /nfs/dbraw/zinc/22/44/74/174224474.db2.gz UODMVAQEFSEPBW-LBPRGKRZSA-N 2 0 230.352 0.317 20 0 BCADRP COCC[NH+](CCOC)CC[C@@H]1CCC[NH2+]C1 ZINC000051919111 174295846 /nfs/dbraw/zinc/29/58/46/174295846.db2.gz RDSUWOJQTOEEJX-ZDUSSCGKSA-N 2 0 244.379 0.971 20 0 BCADRP COCCOCCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000336775150 174350302 /nfs/dbraw/zinc/35/03/02/174350302.db2.gz YEYDUANCMMXFQG-VXGBXAGGSA-N 2 0 230.352 0.579 20 0 BCADRP COCCOCCN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000070027557 174352939 /nfs/dbraw/zinc/35/29/39/174352939.db2.gz XXYLDXYOIWYYFH-VXGBXAGGSA-N 2 0 230.352 0.709 20 0 BCADRP COCCOCC[NH+]1CCC(C[NH3+])CC1 ZINC000070027555 174353070 /nfs/dbraw/zinc/35/30/70/174353070.db2.gz MIGGHHFJTULFMA-UHFFFAOYSA-N 2 0 216.325 0.320 20 0 BCADRP COCCOCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122324074 174354558 /nfs/dbraw/zinc/35/45/58/174354558.db2.gz VAPYMSDQXMMPJF-GHMZBOCLSA-N 2 0 216.325 0.319 20 0 BCADRP COCCOC[C@H](C)[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000309674662 174363673 /nfs/dbraw/zinc/36/36/73/174363673.db2.gz XJPZRBNEUAZXKB-SRVKXCTJSA-N 2 0 230.352 0.578 20 0 BCADRP COCC[C@@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000302682268 174378751 /nfs/dbraw/zinc/37/87/51/174378751.db2.gz QKDCDAFCQIHTHV-CHWSQXEVSA-N 2 0 241.379 0.391 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCOC[C@H]1C ZINC000383496485 487629750 /nfs/dbraw/zinc/62/97/50/487629750.db2.gz DGCZBFUVMBIEGR-UPJWGTAASA-N 2 0 244.379 0.702 20 0 BCADRP CC1(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[NH2+]CC1 ZINC000183382763 487630305 /nfs/dbraw/zinc/63/03/05/487630305.db2.gz IFGLNUWHGHTATQ-MNOVXSKESA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334146695 175795159 /nfs/dbraw/zinc/79/51/59/175795159.db2.gz CKNOLKRYKWPDRH-KOLCDFICSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237678190 176071803 /nfs/dbraw/zinc/07/18/03/176071803.db2.gz BYHFSAHWZBPQAD-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CCCN(C(=O)CN2CC[C@H](C[NH3+])C2)C1 ZINC000050247915 176092122 /nfs/dbraw/zinc/09/21/22/176092122.db2.gz DZFVHZCEVBVYDJ-VXGBXAGGSA-N 2 0 239.363 0.526 20 0 BCADRP C[C@@H]1CCC[N@H+](CCNC(=O)C2([NH3+])CC2)C1 ZINC000237539411 176097663 /nfs/dbraw/zinc/09/76/63/176097663.db2.gz VCGHZLQITYKZBF-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000249133982 176098445 /nfs/dbraw/zinc/09/84/45/176098445.db2.gz YKMNVTKAWBMLKZ-IJLUTSLNSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000333627381 176160766 /nfs/dbraw/zinc/16/07/66/176160766.db2.gz SIQJTPGYWAPOAE-IJLUTSLNSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000186781591 176184962 /nfs/dbraw/zinc/18/49/62/176184962.db2.gz PEKWPOJJCYFUDV-MFKMUULPSA-N 2 0 247.342 0.873 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000373520156 176185310 /nfs/dbraw/zinc/18/53/10/176185310.db2.gz FTFBEWRJWVUOAN-UTUOFQBUSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC2CCC([NH3+])CC2)C1 ZINC000127107904 176187301 /nfs/dbraw/zinc/18/73/01/176187301.db2.gz JMQVVGKPGUMSQK-YYJSSNLHSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000333668325 176252420 /nfs/dbraw/zinc/25/24/20/176252420.db2.gz MRBATDPEVOPWOL-GMTAPVOTSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC[NH2+]1 ZINC000131879624 176254026 /nfs/dbraw/zinc/25/40/26/176254026.db2.gz KPBCFWZXIZCSBO-YPMHNXCESA-N 2 0 247.342 0.377 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C[C@H]1[NH3+] ZINC000333515985 176254337 /nfs/dbraw/zinc/25/43/37/176254337.db2.gz GCDYPYGMBXQASW-GWOFURMSSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C)C[NH2+]1 ZINC000356392449 176255425 /nfs/dbraw/zinc/25/54/25/176255425.db2.gz QLBZGAMJKGFWJE-KKOKHZNYSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC[NH2+]1 ZINC000262932331 176256785 /nfs/dbraw/zinc/25/67/85/176256785.db2.gz SUYSNWDNCLOPCK-RISCZKNCSA-N 2 0 247.342 0.681 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000188453048 176258456 /nfs/dbraw/zinc/25/84/56/176258456.db2.gz MRLZHHZKDHACDP-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]2(C)CCCC[NH2+]2)CC[NH2+]1 ZINC000180897594 176258843 /nfs/dbraw/zinc/25/88/43/176258843.db2.gz XCBMEPGUUUVUKR-PWSUYJOCSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000309784909 176268190 /nfs/dbraw/zinc/26/81/90/176268190.db2.gz NULMCXNJZMRRIX-RTXFEEFZSA-N 2 0 226.364 0.935 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1COCCO1 ZINC000309792230 176268299 /nfs/dbraw/zinc/26/82/99/176268299.db2.gz PMYSRILVIDTMFS-WOPDTQHZSA-N 2 0 228.336 0.332 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CC[C@H](CO)O1 ZINC000340420805 176269917 /nfs/dbraw/zinc/26/99/17/176269917.db2.gz ZIRJAKPKAYOLEH-LPWJVIDDSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCN1CCC1 ZINC000309162414 176270227 /nfs/dbraw/zinc/27/02/27/176270227.db2.gz ZOOGRNHAXVAKBR-VXGBXAGGSA-N 2 0 211.353 0.622 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000362740280 176275969 /nfs/dbraw/zinc/27/59/69/176275969.db2.gz HXWWWPLYMZSOIC-IJLUTSLNSA-N 2 0 239.363 0.347 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCOCCO ZINC000036908376 176278252 /nfs/dbraw/zinc/27/82/52/176278252.db2.gz AUILJWBNYPIDRC-IJLUTSLNSA-N 2 0 230.352 0.314 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCn1cncn1 ZINC000358081093 176279200 /nfs/dbraw/zinc/27/92/00/176279200.db2.gz KNTBZNXPSNHCEC-IJLUTSLNSA-N 2 0 237.351 0.596 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1COCCO1 ZINC000038060880 176280285 /nfs/dbraw/zinc/28/02/85/176280285.db2.gz KMEHOFPZBWQXGE-FDYHWXHSSA-N 2 0 242.363 0.720 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1([NH3+])CCC1 ZINC000336213352 176281220 /nfs/dbraw/zinc/28/12/20/176281220.db2.gz NRHZXORENDBSKJ-MWLCHTKSSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@@H]1CC[C@@H]1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000669585658 487633361 /nfs/dbraw/zinc/63/33/61/487633361.db2.gz IAEJSVDWUTYTEW-VWYCJHECSA-N 2 0 240.351 0.069 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333640044 176325875 /nfs/dbraw/zinc/32/58/75/176325875.db2.gz HZIXCEMVYSXYNC-MNOVXSKESA-N 2 0 240.351 0.132 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000365334700 176327648 /nfs/dbraw/zinc/32/76/48/176327648.db2.gz RVZZOYWXAUIKQH-GRYCIOLGSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335448346 176328137 /nfs/dbraw/zinc/32/81/37/176328137.db2.gz NFTMWWJIAKWHEW-ZYHUDNBSSA-N 3 0 211.353 0.574 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000365334702 176328313 /nfs/dbraw/zinc/32/83/13/176328313.db2.gz RVZZOYWXAUIKQH-UTUOFQBUSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000336754180 176342625 /nfs/dbraw/zinc/34/26/25/176342625.db2.gz IAFYEGPQCKPKME-USZNOCQGSA-N 2 0 212.337 0.951 20 0 BCADRP C[C@@H]1COCC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000354409880 176344361 /nfs/dbraw/zinc/34/43/61/176344361.db2.gz LVCBTYJFRDQPTB-VXGBXAGGSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@@H]1C[C@@H]([N@H+](C)CCOCC[NH3+])CCN1C ZINC000357076916 176371292 /nfs/dbraw/zinc/37/12/92/176371292.db2.gz PUNGGDGCWYMTGY-NEPJUHHUSA-N 3 0 229.368 0.376 20 0 BCADRP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)N(C)C)CCN1C ZINC000357725768 176371748 /nfs/dbraw/zinc/37/17/48/176371748.db2.gz CYDOHPAMKQEKQK-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C2(C[NH3+])CCCC2)CC[NH2+]1 ZINC000336229372 176372382 /nfs/dbraw/zinc/37/23/82/176372382.db2.gz BXMDABHDNSNSAJ-MNOVXSKESA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CC[NH3+])C[N@@H+]1C1CC1 ZINC000237507138 176373217 /nfs/dbraw/zinc/37/32/17/176373217.db2.gz KMUMTAGCFPKNHL-RKDXNWHRSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000246240264 176373443 /nfs/dbraw/zinc/37/34/43/176373443.db2.gz IRJGTILJGFOWAD-CKYFFXLPSA-N 2 0 237.347 0.480 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCC2)CC[N@@H+]1C ZINC000309098290 176375204 /nfs/dbraw/zinc/37/52/04/176375204.db2.gz DOYRWRDJQGZENF-NEPJUHHUSA-N 2 0 211.353 0.764 20 0 BCADRP C[C@@H]1C[C@@H]1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000309820933 176396256 /nfs/dbraw/zinc/39/62/56/176396256.db2.gz WHQIOSCZBXCVMA-DGCLKSJQSA-N 2 0 226.364 0.936 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000332167030 176457403 /nfs/dbraw/zinc/45/74/03/176457403.db2.gz SJJLOWGVCXUEOR-LSJOCFKGSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000332157451 176458110 /nfs/dbraw/zinc/45/81/10/176458110.db2.gz QCNQOHWJUAILTF-GAFUQQFSSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000365236037 176458129 /nfs/dbraw/zinc/45/81/29/176458129.db2.gz AOZHMNGNKAVGTA-NOHGZBONSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000332167026 176459423 /nfs/dbraw/zinc/45/94/23/176459423.db2.gz SJJLOWGVCXUEOR-JMJZKYOTSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000367647607 176656055 /nfs/dbraw/zinc/65/60/55/176656055.db2.gz BXCQPQJUKNWUEU-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C1([NH3+])CCC1 ZINC000147574137 176666005 /nfs/dbraw/zinc/66/60/05/176666005.db2.gz SBBVQVZFIZGVPR-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H](CNC(=O)C[C@H](C)[NH3+])C[NH+]1CCCC1 ZINC000062076602 176756348 /nfs/dbraw/zinc/75/63/48/176756348.db2.gz MOSDARURLCZUPL-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000262983815 176759166 /nfs/dbraw/zinc/75/91/66/176759166.db2.gz YZOOMZOPVFJFCK-GWCFXTLKSA-N 2 0 235.331 0.714 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368368734 176768619 /nfs/dbraw/zinc/76/86/19/176768619.db2.gz DLBWGNHRGOIJTB-NAKRPEOUSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000248506319 176769626 /nfs/dbraw/zinc/76/96/26/176769626.db2.gz WQRGMYSFOKCPHJ-WOPDTQHZSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](c1ccccc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000077302143 177039469 /nfs/dbraw/zinc/03/94/69/177039469.db2.gz SUZKZFIPYJKDMC-ZYHUDNBSSA-N 2 0 208.305 0.999 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C[NH3+] ZINC000019471022 177075345 /nfs/dbraw/zinc/07/53/45/177075345.db2.gz BHJJZDCIMMNNJI-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(N)=[NH2+])C1 ZINC000303253939 177096159 /nfs/dbraw/zinc/09/61/59/177096159.db2.gz DMLPRDIUXLORBG-VIFPVBQESA-N 2 0 212.341 0.980 20 0 BCADRP C[C@H]1CCC[N@H+](CCNC(=O)CCC[NH3+])C1 ZINC000237575064 177097915 /nfs/dbraw/zinc/09/79/15/177097915.db2.gz NRTRYSGCMVDPFZ-NSHDSACASA-N 2 0 227.352 0.573 20 0 BCADRP C[C@H]1CCN(C(=O)CC2(C[NH3+])CC2)C[C@@H]1C[NH3+] ZINC000332040404 177146114 /nfs/dbraw/zinc/14/61/14/177146114.db2.gz ZKHZUFUJGVNFHW-QWRGUYRKSA-N 2 0 239.363 0.559 20 0 BCADRP C[C@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC000336343914 177156751 /nfs/dbraw/zinc/15/67/51/177156751.db2.gz CWGFRCYRYGTVBG-NWDGAFQWSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@@H]1CO ZINC000227216397 177158077 /nfs/dbraw/zinc/15/80/77/177158077.db2.gz SKUVSBUDJUYXEC-CMPLNLGQSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1([NH3+])CCCC1 ZINC000186836644 177174156 /nfs/dbraw/zinc/17/41/56/177174156.db2.gz RRSNQJGBDHOSEU-UWVGGRQHSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NC2CCC([NH3+])CC2)C1 ZINC000127108123 177175216 /nfs/dbraw/zinc/17/52/16/177175216.db2.gz JMQVVGKPGUMSQK-XKGSQUFQSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000127159079 177175375 /nfs/dbraw/zinc/17/53/75/177175375.db2.gz SJBLJAHBVNDXMC-JQWIXIFHSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1c[nH+]ccc1N ZINC000294679646 177175844 /nfs/dbraw/zinc/17/58/44/177175844.db2.gz BLONXAXXTRTNCG-GZMMTYOYSA-N 2 0 234.303 0.392 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1c[nH]cn1 ZINC000331274815 177198914 /nfs/dbraw/zinc/19/89/14/177198914.db2.gz DNTKDTFVMSUNJI-UWVGGRQHSA-N 2 0 236.319 0.899 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC([NH3+])CC1 ZINC000336515131 177199477 /nfs/dbraw/zinc/19/94/77/177199477.db2.gz JWSJYDGNHHBNSC-QWRGUYRKSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C[NH2+]CC1CC1 ZINC000356371366 177216292 /nfs/dbraw/zinc/21/62/92/177216292.db2.gz GPNXJZVILREXQI-VHSXEESVSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]1CN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC000333498280 177220498 /nfs/dbraw/zinc/22/04/98/177220498.db2.gz FBRKREDIHAGJSP-GARJFASQSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)OCCO ZINC000352495057 177233762 /nfs/dbraw/zinc/23/37/62/177233762.db2.gz IHAJKOKABQRDMJ-NWDGAFQWSA-N 2 0 244.379 0.704 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000125847288 177282815 /nfs/dbraw/zinc/28/28/15/177282815.db2.gz HMZFCKCZQXZQBZ-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1c[nH+]ccc1N ZINC000294980022 177284653 /nfs/dbraw/zinc/28/46/53/177284653.db2.gz JQMORMOSEISMMT-KWQFWETISA-N 2 0 234.303 0.392 20 0 BCADRP C[C@@H]1C[N@H+](CCOCC[NH3+])[C@@H](C)CO1 ZINC000223211273 177301543 /nfs/dbraw/zinc/30/15/43/177301543.db2.gz XBWWJGXWBZTPHJ-VHSXEESVSA-N 2 0 202.298 0.071 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000352483115 177308227 /nfs/dbraw/zinc/30/82/27/177308227.db2.gz YFZUQSKEEZXEPE-TUAOUCFPSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1CC(=O)N(C)C1CC1 ZINC000122355784 177324057 /nfs/dbraw/zinc/32/40/57/177324057.db2.gz JXSPLVRVMIBAHT-UWVGGRQHSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)[NH3+])CC[N@@H+]1C ZINC000237638562 177325720 /nfs/dbraw/zinc/32/57/20/177325720.db2.gz QJGNEKICBIXYTA-UWVGGRQHSA-N 2 0 227.352 0.665 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000237443832 177326121 /nfs/dbraw/zinc/32/61/21/177326121.db2.gz BUSXAUUSPSUJSC-AEJSXWLSSA-N 2 0 213.325 0.275 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)CC[NH3+])C[N@@H+]1C1CC1 ZINC000237540049 177328503 /nfs/dbraw/zinc/32/85/03/177328503.db2.gz KMUMTAGCFPKNHL-DTWKUNHWSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226864114 177329780 /nfs/dbraw/zinc/32/97/80/177329780.db2.gz MSNJCURMHZQZBY-UTLUCORTSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000367992795 177329886 /nfs/dbraw/zinc/32/98/86/177329886.db2.gz FTYSWMGTGZFMSW-WHOHXGKFSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)CCO1 ZINC000359322370 177331457 /nfs/dbraw/zinc/33/14/57/177331457.db2.gz MXUZCVLYVGGUDQ-RYUDHWBXSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCn1cncn1 ZINC000358081092 177331609 /nfs/dbraw/zinc/33/16/09/177331609.db2.gz KNTBZNXPSNHCEC-GRYCIOLGSA-N 2 0 237.351 0.596 20 0 BCADRP C[C@H]1C[C@@H]1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000336780839 177345023 /nfs/dbraw/zinc/34/50/23/177345023.db2.gz SGIXZDFMLXIBFR-QWHCGFSZSA-N 2 0 225.380 0.870 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C2([NH3+])CC2)C[N@@H+]1C1CC1 ZINC000237562153 177367488 /nfs/dbraw/zinc/36/74/88/177367488.db2.gz WHZSDBVROJKIBV-IUCAKERBSA-N 2 0 223.320 0.219 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCCCO)CN1C1CC1 ZINC000193280328 177369647 /nfs/dbraw/zinc/36/96/47/177369647.db2.gz YWOBIYOIRABWFP-QWRGUYRKSA-N 2 0 212.337 0.974 20 0 BCADRP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000336714015 177371571 /nfs/dbraw/zinc/37/15/71/177371571.db2.gz OYKXJKKCWVXPQC-GRYCIOLGSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CCC[NH2+]CC1 ZINC000333735178 177395541 /nfs/dbraw/zinc/39/55/41/177395541.db2.gz WUWOQYUOIDOJMP-GHMZBOCLSA-N 2 0 240.351 0.132 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418400280 224820554 /nfs/dbraw/zinc/82/05/54/224820554.db2.gz MCECNNCYOXKSNM-JTQLQIEISA-N 2 0 242.367 0.363 20 0 BCADRP C[NH+](C)C/C=C\C(=O)NCC[NH+]1CCCCC1 ZINC000491625468 225712446 /nfs/dbraw/zinc/71/24/46/225712446.db2.gz CJJYRYCGTSQZHM-SREVYHEPSA-N 2 0 239.363 0.706 20 0 BCADRP C[NH+](C)C/C=C\C(=O)NC1(C[NH+](C)C)CCC1 ZINC000492598999 226024669 /nfs/dbraw/zinc/02/46/69/226024669.db2.gz WPFIKCFJMJRLOQ-ALCCZGGFSA-N 2 0 239.363 0.705 20 0 BCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)/C=C\C[NH+](C)C ZINC000493172122 226145691 /nfs/dbraw/zinc/14/56/91/226145691.db2.gz PGNQEPCXNJJDIQ-VFFGBVLKSA-N 2 0 239.363 0.657 20 0 BCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)/C=C/C[NH+](C)C ZINC000493172124 226145835 /nfs/dbraw/zinc/14/58/35/226145835.db2.gz PGNQEPCXNJJDIQ-WMADIVHISA-N 2 0 239.363 0.657 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000493900430 226259017 /nfs/dbraw/zinc/25/90/17/226259017.db2.gz LYTXZHCGHVXMCU-GMOBBJLQSA-N 2 0 239.363 0.569 20 0 BCADRP C[C@](C[NH3+])(NC(=O)CC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000494563764 226266294 /nfs/dbraw/zinc/26/62/94/226266294.db2.gz IONJSMJHOGBRNA-WCQYABFASA-N 2 0 239.363 0.762 20 0 BCADRP COCC[N@H+](C)CCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400335042 226341196 /nfs/dbraw/zinc/34/11/96/226341196.db2.gz FTLYIYSGZJMVTM-NWDGAFQWSA-N 2 0 229.368 0.295 20 0 BCADRP [NH3+]CC1(CN2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000335637593 487654940 /nfs/dbraw/zinc/65/49/40/487654940.db2.gz PYOGXLBWSIMAKP-ZDUSSCGKSA-N 2 0 223.364 0.801 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000378814813 487670825 /nfs/dbraw/zinc/67/08/25/487670825.db2.gz BEOXNOCXJZFELZ-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000662611877 487671485 /nfs/dbraw/zinc/67/14/85/487671485.db2.gz HRNVBPABRNOZQO-NSHDSACASA-N 2 0 235.331 0.882 20 0 BCADRP O[C@H](C[NH2+]C[C@@H]1CCCS1)C[NH+]1CCCC1 ZINC000087668889 487677337 /nfs/dbraw/zinc/67/73/37/487677337.db2.gz XGPHQUFGAHYQST-NEPJUHHUSA-N 2 0 244.404 0.928 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000393784493 487687721 /nfs/dbraw/zinc/68/77/21/487687721.db2.gz WMSGTEOKSCVNIQ-SDDRHHMPSA-N 2 0 211.353 0.655 20 0 BCADRP [NH3+]CCC[NH2+][C@H]1COc2ccccc2C1 ZINC000328497092 487699945 /nfs/dbraw/zinc/69/99/45/487699945.db2.gz VHNSVLWOISGFBC-LLVKDONJSA-N 2 0 206.289 0.929 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000178826424 487702334 /nfs/dbraw/zinc/70/23/34/487702334.db2.gz APSLVNLQLQVKIE-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](C)[NH3+])C1 ZINC000178826406 487702399 /nfs/dbraw/zinc/70/23/99/487702399.db2.gz APSLVNLQLQVKIE-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)NCC2([NH3+])CCC2)C1 ZINC000669403053 487705956 /nfs/dbraw/zinc/70/59/56/487705956.db2.gz HCACJEJXTAXNNC-JTQLQIEISA-N 2 0 240.351 0.261 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000033792075 487706889 /nfs/dbraw/zinc/70/68/89/487706889.db2.gz OHMZVNUOFZJEOH-QWRGUYRKSA-N 2 0 225.336 0.387 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000033792077 487707329 /nfs/dbraw/zinc/70/73/29/487707329.db2.gz OHMZVNUOFZJEOH-WDEREUQCSA-N 2 0 225.336 0.387 20 0 BCADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC000082653086 487708166 /nfs/dbraw/zinc/70/81/66/487708166.db2.gz UBNZQUYOLSZFDY-JTQLQIEISA-N 2 0 233.315 0.752 20 0 BCADRP C[NH+](C)CCC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000082667160 487713243 /nfs/dbraw/zinc/71/32/43/487713243.db2.gz PRTFFSRCZXGGQW-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000249577540 487722031 /nfs/dbraw/zinc/72/20/31/487722031.db2.gz PWDRZSPQBSUFNH-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP CC[N@H+](CCO)CCN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000681108862 487728214 /nfs/dbraw/zinc/72/82/14/487728214.db2.gz NHUZSIYEBQYOEM-QWHCGFSZSA-N 2 0 243.395 0.373 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000226394228 487730318 /nfs/dbraw/zinc/73/03/18/487730318.db2.gz OGLVTAHWERCLCI-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP CC[N@H+](CCNC(=O)C[C@H](C)[NH3+])C1CC1 ZINC000226398115 487731198 /nfs/dbraw/zinc/73/11/98/487731198.db2.gz HMEZVOKSHNFCRV-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000082772386 487731414 /nfs/dbraw/zinc/73/14/14/487731414.db2.gz BIQOKXUDSIOITM-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC000076453494 487741704 /nfs/dbraw/zinc/74/17/04/487741704.db2.gz RXFYIRWIPGXFBJ-MNOVXSKESA-N 2 0 200.326 0.689 20 0 BCADRP COC[C@H](C)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163554167 487744667 /nfs/dbraw/zinc/74/46/67/487744667.db2.gz QUXUNXRNZZEVCB-MXWKQRLJSA-N 2 0 200.326 0.938 20 0 BCADRP CC[NH2+]CCCNC(=O)NCC1([NH3+])CCCC1 ZINC000659504823 487745052 /nfs/dbraw/zinc/74/50/52/487745052.db2.gz AUPVUTPRQYWNMZ-UHFFFAOYSA-N 2 0 242.367 0.557 20 0 BCADRP CC(=O)NCC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000226437093 487745118 /nfs/dbraw/zinc/74/51/18/487745118.db2.gz KGXCWWPMQORPAS-ZDUSSCGKSA-N 2 0 239.363 0.444 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000659510055 487751045 /nfs/dbraw/zinc/75/10/45/487751045.db2.gz JQIOHZVBQWHZIE-JTQLQIEISA-N 2 0 242.367 0.365 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H](C)[NH+](C)C ZINC000155553204 487751186 /nfs/dbraw/zinc/75/11/86/487751186.db2.gz WPKNOIZWRPEPOS-VHSXEESVSA-N 2 0 215.341 0.426 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000082921605 487753200 /nfs/dbraw/zinc/75/32/00/487753200.db2.gz HRMFXNZVLXBMMY-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000233953067 487754570 /nfs/dbraw/zinc/75/45/70/487754570.db2.gz PXZUCGYICIDGIM-IJLUTSLNSA-N 2 0 212.337 0.831 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638506567 487764790 /nfs/dbraw/zinc/76/47/90/487764790.db2.gz WUVMGXKEPOHICJ-RKDXNWHRSA-N 2 0 211.309 0.125 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063124228 487766074 /nfs/dbraw/zinc/76/60/74/487766074.db2.gz ADZYCBVOVKCGLQ-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000662964459 487772451 /nfs/dbraw/zinc/77/24/51/487772451.db2.gz BMYDBRIWFIMMHP-JQWIXIFHSA-N 2 0 235.331 0.801 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000662964923 487773679 /nfs/dbraw/zinc/77/36/79/487773679.db2.gz JOUIGSOKJLVYBE-PWSUYJOCSA-N 2 0 235.331 0.719 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)c1coc(C[NH3+])c1 ZINC000662965167 487773717 /nfs/dbraw/zinc/77/37/17/487773717.db2.gz MJYBCWOBZXHZLV-ZETCQYMHSA-N 2 0 211.265 0.076 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000662965755 487774794 /nfs/dbraw/zinc/77/47/94/487774794.db2.gz NEPRDUFPRDXPLS-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H](CNC(=O)[C@H](C)[NH+](C)C)[NH+]1CCCC1 ZINC000674287627 487779311 /nfs/dbraw/zinc/77/93/11/487779311.db2.gz KNJVRRLYLWWNCI-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP C[NH+](C)CC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000234231432 487779663 /nfs/dbraw/zinc/77/96/63/487779663.db2.gz RFADJHGXJAZLLP-UHFFFAOYSA-N 2 0 235.331 0.536 20 0 BCADRP O=C1CC[C@@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)N1 ZINC000156107106 487814377 /nfs/dbraw/zinc/81/43/77/487814377.db2.gz YNZBRXZUEAXIPC-SDDRHHMPSA-N 2 0 237.347 0.481 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000156151102 487819381 /nfs/dbraw/zinc/81/93/81/487819381.db2.gz CJBNMXFCDQRIMV-UTUOFQBUSA-N 2 0 241.379 0.946 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000569019227 322942928 /nfs/dbraw/zinc/94/29/28/322942928.db2.gz HWFRXKOSKSQLJQ-LLVKDONJSA-N 2 0 225.336 0.339 20 0 BCADRP CN(C)c1ncc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000414931542 487830534 /nfs/dbraw/zinc/83/05/34/487830534.db2.gz USGZLTZWLQBGTK-RYUDHWBXSA-N 2 0 249.362 0.902 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000156525292 487832487 /nfs/dbraw/zinc/83/24/87/487832487.db2.gz AJEDMYYOKZYEPU-VWYCJHECSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000156525669 487834317 /nfs/dbraw/zinc/83/43/17/487834317.db2.gz AJEDMYYOKZYEPU-GARJFASQSA-N 2 0 227.352 0.522 20 0 BCADRP [NH3+]CCCN[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415034219 487834452 /nfs/dbraw/zinc/83/44/52/487834452.db2.gz CKUVHTWGOVQGDS-QWHCGFSZSA-N 2 0 219.332 0.680 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000494644172 487836627 /nfs/dbraw/zinc/83/66/27/487836627.db2.gz ZFWNJAOFQIWBBV-WOPDTQHZSA-N 2 0 239.363 0.905 20 0 BCADRP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH3+])[NH+](CC)CC ZINC000877102166 590283112 /nfs/dbraw/zinc/28/31/12/590283112.db2.gz ASFKNQIASHCBKW-MNOVXSKESA-N 2 0 229.368 0.912 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000659538535 487847790 /nfs/dbraw/zinc/84/77/90/487847790.db2.gz OITJKQIUGPKDBG-NXEZZACHSA-N 2 0 242.367 0.635 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659539302 487851235 /nfs/dbraw/zinc/85/12/35/487851235.db2.gz CZURVABNZWSVKI-ZJUUUORDSA-N 2 0 242.367 0.363 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000648121882 487855063 /nfs/dbraw/zinc/85/50/63/487855063.db2.gz SMYUKXGPBXFMPQ-UWVGGRQHSA-N 2 0 227.352 0.890 20 0 BCADRP COC[C@H](C)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000253125782 487855542 /nfs/dbraw/zinc/85/55/42/487855542.db2.gz QUXUNXRNZZEVCB-VWYCJHECSA-N 2 0 200.326 0.938 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373044009 487856591 /nfs/dbraw/zinc/85/65/91/487856591.db2.gz RWVOHIQVKYIYEI-WOPDTQHZSA-N 2 0 239.363 0.570 20 0 BCADRP COCCCCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000234775729 487876317 /nfs/dbraw/zinc/87/63/17/487876317.db2.gz IPERHPOANOPXPU-CYBMUJFWSA-N 2 0 244.379 0.849 20 0 BCADRP COC[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000234788340 487877951 /nfs/dbraw/zinc/87/79/51/487877951.db2.gz IRTYMMGYNXFSPS-ZDUSSCGKSA-N 2 0 241.379 0.250 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000569603563 322972403 /nfs/dbraw/zinc/97/24/03/322972403.db2.gz RJSASJYUNOAJFW-MXWKQRLJSA-N 2 0 227.352 0.617 20 0 BCADRP C[NH2+]CCCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652199838 487881519 /nfs/dbraw/zinc/88/15/19/487881519.db2.gz DLVLWPYYNULLOH-UHFFFAOYSA-N 2 0 242.367 0.285 20 0 BCADRP [NH3+]C/C=C\CNC(=O)NCCC1CC[NH2+]CC1 ZINC000652219944 487884961 /nfs/dbraw/zinc/88/49/61/487884961.db2.gz PUDBUMHCDCZZKV-UPHRSURJSA-N 2 0 240.351 0.190 20 0 BCADRP CC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000251115403 644793675 /nfs/dbraw/zinc/79/36/75/644793675.db2.gz VESSJJYNVOZTFD-VWYCJHECSA-N 2 0 200.326 0.959 20 0 BCADRP CC[C@@H]1C[N@H+](CCOCC[NH3+])[C@H](C)CO1 ZINC000403808056 487891674 /nfs/dbraw/zinc/89/16/74/487891674.db2.gz JYQQVZXUPITFHU-GHMZBOCLSA-N 2 0 216.325 0.461 20 0 BCADRP CC[C@H]1C[N@H+](CCN2CC[NH2+]CC2)[C@H](C)CO1 ZINC000403818395 487891300 /nfs/dbraw/zinc/89/13/00/487891300.db2.gz MOOZXJKEYPMKIK-OLZOCXBDSA-N 2 0 241.379 0.391 20 0 BCADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000111825749 487891803 /nfs/dbraw/zinc/89/18/03/487891803.db2.gz OPKNAKVJRNXKJA-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000652256924 487894098 /nfs/dbraw/zinc/89/40/98/487894098.db2.gz IPQWYZFBVYBMNV-ZMLRMANQSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C2CC[NH2+]CC2)CC[NH2+]1 ZINC000083367385 487904889 /nfs/dbraw/zinc/90/48/89/487904889.db2.gz BGOHMGFSIFYEPP-GFCCVEGCSA-N 2 0 239.363 0.442 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000157727147 487919017 /nfs/dbraw/zinc/91/90/17/487919017.db2.gz IEVOZWRWVGXTGM-WDEREUQCSA-N 2 0 237.347 0.611 20 0 BCADRP COC[C@@H](C)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000666966094 487919844 /nfs/dbraw/zinc/91/98/44/487919844.db2.gz KPYXYSQSIVWPSS-VHSXEESVSA-N 2 0 200.326 0.999 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)NCC(C)(C)[NH3+] ZINC000417300641 487923561 /nfs/dbraw/zinc/92/35/61/487923561.db2.gz OVOPRJLQWSFBPR-JTQLQIEISA-N 2 0 244.383 0.753 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)NC(C)(C)C[NH3+] ZINC000417294523 487923786 /nfs/dbraw/zinc/92/37/86/487923786.db2.gz CDRNYXYMRDWOIK-JTQLQIEISA-N 2 0 244.383 0.753 20 0 BCADRP C[C@H]([NH3+])CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363659 487932648 /nfs/dbraw/zinc/93/26/48/487932648.db2.gz KOMNAMJLGPDRNB-LOWDOPEQSA-N 3 0 241.379 0.694 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](C)[NH3+] ZINC000669474605 487937422 /nfs/dbraw/zinc/93/74/22/487937422.db2.gz ICEMYSMQWJPPKY-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP CC[C@@H](NC(=O)[C@H](C)[NH+](C)C)c1ncc[nH]1 ZINC000682363719 487939295 /nfs/dbraw/zinc/93/92/95/487939295.db2.gz UOQNTEYQJDAAFJ-DTWKUNHWSA-N 2 0 224.308 0.927 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659556362 487939321 /nfs/dbraw/zinc/93/93/21/487939321.db2.gz RWHALNAKXNFBFC-AXTSPUMRSA-N 2 0 246.330 0.193 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000659556510 487939889 /nfs/dbraw/zinc/93/98/89/487939889.db2.gz UIHZXHSWCQXIEV-HBNTYKKESA-N 2 0 244.383 0.785 20 0 BCADRP CC[N@@H+]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C[C@H]1C ZINC000677172000 487951464 /nfs/dbraw/zinc/95/14/64/487951464.db2.gz CGTNREVLCZKWIM-NEPJUHHUSA-N 2 0 239.363 0.491 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000569482551 322967601 /nfs/dbraw/zinc/96/76/01/322967601.db2.gz MVZKNDOIDWYQSV-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000566214450 322970090 /nfs/dbraw/zinc/97/00/90/322970090.db2.gz RMTJZEFNUMVXEC-RKDXNWHRSA-N 2 0 221.304 0.611 20 0 BCADRP C[C@@H]1C[C@@H](C)[N@H+](CCn2cncn2)C[C@H]1C[NH3+] ZINC000397479752 323017717 /nfs/dbraw/zinc/01/77/17/323017717.db2.gz LLDICWZQRXVMEI-IJLUTSLNSA-N 2 0 237.351 0.583 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000566859325 323020402 /nfs/dbraw/zinc/02/04/02/323020402.db2.gz TXUHRYSXDXRSNN-BIIVOSGPSA-N 2 0 201.314 0.212 20 0 BCADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000397489214 323021304 /nfs/dbraw/zinc/02/13/04/323021304.db2.gz YFHPTMYRXFFLMR-GRYCIOLGSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000562809422 323031183 /nfs/dbraw/zinc/03/11/83/323031183.db2.gz UTLIPHAUHYGJBQ-MMWGEVLESA-N 2 0 225.336 0.193 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000562809423 323031210 /nfs/dbraw/zinc/03/12/10/323031210.db2.gz UTLIPHAUHYGJBQ-NAKRPEOUSA-N 2 0 225.336 0.193 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000562809424 323031272 /nfs/dbraw/zinc/03/12/72/323031272.db2.gz UTLIPHAUHYGJBQ-RCWTZXSCSA-N 2 0 225.336 0.193 20 0 BCADRP C[C@H]1CN(C(=O)CC[NH2+]C2CC2)C[C@H](C)[NH2+]1 ZINC000565218714 323034034 /nfs/dbraw/zinc/03/40/34/323034034.db2.gz RVVSBQYQESXDKL-UWVGGRQHSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000562957193 323035168 /nfs/dbraw/zinc/03/51/68/323035168.db2.gz VTIXXRFLUBCHGS-PWSUYJOCSA-N 3 0 211.353 0.716 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000569693247 323037147 /nfs/dbraw/zinc/03/71/47/323037147.db2.gz ZUSBUZASAPSAIR-QJPTWQEYSA-N 2 0 239.363 0.474 20 0 BCADRP C[NH2+][C@H]1CCN(CCN2CCO[C@@H](C)C2)C1 ZINC000569723617 323038783 /nfs/dbraw/zinc/03/87/83/323038783.db2.gz GACMCZWXHHHPFL-RYUDHWBXSA-N 2 0 227.352 0.001 20 0 BCADRP CC(=O)NCC[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000569723317 323038815 /nfs/dbraw/zinc/03/88/15/323038815.db2.gz JDTGUVBDJCIVHO-PWSUYJOCSA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CC[NH2+]C[C@@H]1C(F)F ZINC000569724521 323038934 /nfs/dbraw/zinc/03/89/34/323038934.db2.gz VJPZIBOGYLWBLC-VHSXEESVSA-N 2 0 235.322 0.899 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000569843666 323042707 /nfs/dbraw/zinc/04/27/07/323042707.db2.gz KRJFCKNXOVCPLN-ONGXEEELSA-N 2 0 221.304 0.540 20 0 BCADRP CCOC[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000569962453 323045856 /nfs/dbraw/zinc/04/58/56/323045856.db2.gz YDGCXUVDMBVQDB-CHWSQXEVSA-N 2 0 244.379 0.705 20 0 BCADRP CN(C(=O)CC[C@@H]1CC[NH2+]C1)C1(C[NH3+])CCC1 ZINC000570094337 323049660 /nfs/dbraw/zinc/04/96/60/323049660.db2.gz XYVTYBODKASPCC-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP COC[C@@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C ZINC000570201738 323052532 /nfs/dbraw/zinc/05/25/32/323052532.db2.gz FLVBJOJTRKIGDK-MNOVXSKESA-N 2 0 232.368 0.560 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CC1(C[NH3+])CC1 ZINC000570215558 323053491 /nfs/dbraw/zinc/05/34/91/323053491.db2.gz IXBAGESASKTBDI-IUCAKERBSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000570278738 323054881 /nfs/dbraw/zinc/05/48/81/323054881.db2.gz JOUSKXOPIBUWIA-RAIGVLPGSA-N 2 0 247.342 0.943 20 0 BCADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cocn1 ZINC000570320081 323056210 /nfs/dbraw/zinc/05/62/10/323056210.db2.gz YMQGPZZHABMDCP-UHFFFAOYSA-N 2 0 240.351 0.600 20 0 BCADRP Cn1cnnc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572644115 323057326 /nfs/dbraw/zinc/05/73/26/323057326.db2.gz NYBGNOMJDOIDRV-VXGBXAGGSA-N 2 0 249.362 0.637 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)CC1(C[NH3+])CC1 ZINC000572761046 323058566 /nfs/dbraw/zinc/05/85/66/323058566.db2.gz QNANDXWQFQFJPM-VIFPVBQESA-N 2 0 213.325 0.359 20 0 BCADRP CCC[NH2+]CCNC(=O)NCCC[NH2+]C(C)C ZINC000570428901 323059164 /nfs/dbraw/zinc/05/91/64/323059164.db2.gz MCMXWQMCOCCBPN-UHFFFAOYSA-N 2 0 244.383 0.673 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC000570424830 323059312 /nfs/dbraw/zinc/05/93/12/323059312.db2.gz SRUVHBWUHTZWGV-NEPJUHHUSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000570448568 323059733 /nfs/dbraw/zinc/05/97/33/323059733.db2.gz JSLZGHUBMYTUJT-HBNTYKKESA-N 2 0 237.347 0.195 20 0 BCADRP [NH3+]CCOCCN1CCc2ccccc2[C@H]1C[NH3+] ZINC000570451316 323059879 /nfs/dbraw/zinc/05/98/79/323059879.db2.gz HDVWQLGDBBNDGH-CQSZACIVSA-N 2 0 249.358 0.520 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000570635789 323065524 /nfs/dbraw/zinc/06/55/24/323065524.db2.gz WKMILBXVHYCZEJ-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000570682206 323066919 /nfs/dbraw/zinc/06/69/19/323066919.db2.gz XANJXEQWLXNOSW-BDAKNGLRSA-N 2 0 201.314 0.086 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H]([NH3+])CC(F)F ZINC000570684000 323067136 /nfs/dbraw/zinc/06/71/36/323067136.db2.gz UUQJVPNMKGOIBK-SSDOTTSWSA-N 2 0 237.294 0.603 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000570717271 323068248 /nfs/dbraw/zinc/06/82/48/323068248.db2.gz SRAMGGUCEZSKEG-MXWKQRLJSA-N 2 0 225.336 0.467 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000570802375 323070915 /nfs/dbraw/zinc/07/09/15/323070915.db2.gz MORBEUAQNNISCE-DCAQKATOSA-N 2 0 243.351 0.079 20 0 BCADRP [NH3+]CC[C@H](NC(=O)c1coc(C[NH3+])c1)C(F)F ZINC000570800530 323071078 /nfs/dbraw/zinc/07/10/78/323071078.db2.gz RQNQBNRQJFGRDT-QMMMGPOBSA-N 2 0 247.245 0.451 20 0 BCADRP [NH3+]CC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000570928348 323074506 /nfs/dbraw/zinc/07/45/06/323074506.db2.gz GFQTZMGIKUAUCS-UHFFFAOYSA-N 2 0 221.260 0.066 20 0 BCADRP [NH3+]CCOc1ccc(NC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000562972157 323077573 /nfs/dbraw/zinc/07/75/73/323077573.db2.gz IBRZZKAMCJJNKA-LLVKDONJSA-N 2 0 235.287 0.325 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000562976273 323077734 /nfs/dbraw/zinc/07/77/34/323077734.db2.gz PHDTZMRDVCGWAU-WZRBSPASSA-N 2 0 237.347 0.244 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000562976310 323077769 /nfs/dbraw/zinc/07/77/69/323077769.db2.gz AFUYFHUGNMNJLK-XWLWVQCSSA-N 2 0 225.336 0.180 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000563086892 323090658 /nfs/dbraw/zinc/09/06/58/323090658.db2.gz VBZYPGDHYVAGJH-QJPTWQEYSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000563091478 323091736 /nfs/dbraw/zinc/09/17/36/323091736.db2.gz BMANHIFXSZKCKZ-RCWTZXSCSA-N 2 0 242.367 0.409 20 0 BCADRP CCCN(C(=O)[C@H](C)C1C[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000563100379 323092396 /nfs/dbraw/zinc/09/23/96/323092396.db2.gz JJJVURYXJONRBF-PWSUYJOCSA-N 2 0 239.363 0.442 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)CCC[NH3+])CC1 ZINC000563102273 323092584 /nfs/dbraw/zinc/09/25/84/323092584.db2.gz QAYKKAMTVUSUCQ-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000563108934 323092867 /nfs/dbraw/zinc/09/28/67/323092867.db2.gz QZBPYAQKJKSJEG-JOYOIKCWSA-N 2 0 225.336 0.324 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000563109160 323093063 /nfs/dbraw/zinc/09/30/63/323093063.db2.gz ZMFXUZICBYECDK-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000563109048 323093106 /nfs/dbraw/zinc/09/31/06/323093106.db2.gz ZBCXMELBGUTASB-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000563119276 323093920 /nfs/dbraw/zinc/09/39/20/323093920.db2.gz YZCLCPBACVVCSF-TUAOUCFPSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H]1C[C@H](NC[C@@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000563135573 323094544 /nfs/dbraw/zinc/09/45/44/323094544.db2.gz QREZUACTUNUMRS-UTUOFQBUSA-N 2 0 211.353 0.716 20 0 BCADRP C(C[NH2+]CC1CC[NH2+]CC1)C[NH2+]C1CC1 ZINC000563135490 323094686 /nfs/dbraw/zinc/09/46/86/323094686.db2.gz NSBONPXNRUXXQX-UHFFFAOYSA-N 3 0 211.353 0.718 20 0 BCADRP C[C@@H]1C[C@@H](CN2CCO[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000563136745 323094844 /nfs/dbraw/zinc/09/48/44/323094844.db2.gz UDLGWLOZIXGHIR-GRYCIOLGSA-N 3 0 227.352 0.034 20 0 BCADRP COCCOCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563150071 323095527 /nfs/dbraw/zinc/09/55/27/323095527.db2.gz JGRDJYQBBUELCT-CYBMUJFWSA-N 2 0 242.363 0.725 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000567891963 323097089 /nfs/dbraw/zinc/09/70/89/323097089.db2.gz ASOISRZRRGSHEF-SRVKXCTJSA-N 3 0 211.353 0.655 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000563160309 323097412 /nfs/dbraw/zinc/09/74/12/323097412.db2.gz JLLMYQMDIYQLSH-SDDRHHMPSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000563168737 323099660 /nfs/dbraw/zinc/09/96/60/323099660.db2.gz ABKRUXHWMDYCEX-QXEWZRGKSA-N 2 0 213.325 0.371 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000563209524 323102009 /nfs/dbraw/zinc/10/20/09/323102009.db2.gz JDRYFADFFKUTHJ-USZNOCQGSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000563209687 323102017 /nfs/dbraw/zinc/10/20/17/323102017.db2.gz WKMILBXVHYCZEJ-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP c1ncn(CC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000563215644 323103017 /nfs/dbraw/zinc/10/30/17/323103017.db2.gz ULMQLZZQIWXMRY-QWHCGFSZSA-N 2 0 249.362 0.600 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040624381 323109319 /nfs/dbraw/zinc/10/93/19/323109319.db2.gz QNVKRXAFSLDOOI-VXGBXAGGSA-N 2 0 241.379 0.816 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC000563339294 323119071 /nfs/dbraw/zinc/11/90/71/323119071.db2.gz RAKBZCVKFWUAHE-JQWIXIFHSA-N 2 0 241.379 0.947 20 0 BCADRP O=C(CC[NH2+]C1CC1)NCC[C@@H]1CCC[NH2+]C1 ZINC000563413516 323124843 /nfs/dbraw/zinc/12/48/43/323124843.db2.gz AUNUIBOUCFTCCU-NSHDSACASA-N 2 0 239.363 0.634 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000563529171 323129157 /nfs/dbraw/zinc/12/91/57/323129157.db2.gz RLNIKHJEYNPKBG-JHJVBQTASA-N 2 0 244.379 0.846 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCCCC[NH+](C)C ZINC000563626544 323132228 /nfs/dbraw/zinc/13/22/28/323132228.db2.gz YPRLPARAIFPIMC-NSHDSACASA-N 2 0 229.368 0.833 20 0 BCADRP C[NH+](C)Cc1cccc(C[NH2+]CCC(N)=O)c1 ZINC000567160473 323133734 /nfs/dbraw/zinc/13/37/34/323133734.db2.gz KVKFWCLISKVTBH-UHFFFAOYSA-N 2 0 235.331 0.713 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000571080733 323135000 /nfs/dbraw/zinc/13/50/00/323135000.db2.gz CTODWBIGLVNCJJ-MNOVXSKESA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000571157963 323136945 /nfs/dbraw/zinc/13/69/45/323136945.db2.gz XIJKDHCFKZQMQN-CMPLNLGQSA-N 2 0 227.352 0.348 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[NH2+]C1(C)C)[C@H](C)[NH3+] ZINC000571158143 323136982 /nfs/dbraw/zinc/13/69/82/323136982.db2.gz YCTJNMIUCCDFIC-VGMNWLOBSA-N 2 0 213.325 0.226 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC(F)F ZINC000571165685 323137300 /nfs/dbraw/zinc/13/73/00/323137300.db2.gz HMLCDPJXFBMRHL-NKWVEPMBSA-N 2 0 237.294 0.459 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000571169058 323137454 /nfs/dbraw/zinc/13/74/54/323137454.db2.gz JFYVBDUTSQDVHI-GARJFASQSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H](NC(=O)N(C)CCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000571181219 323137733 /nfs/dbraw/zinc/13/77/33/323137733.db2.gz UBXHRGYAFMPWBO-QWRGUYRKSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@]1(C(=O)N2CCC([NH3+])CC2)CCC[NH2+]C1 ZINC000571326453 323141558 /nfs/dbraw/zinc/14/15/58/323141558.db2.gz GJKDQHPVWMFJFL-LBPRGKRZSA-N 2 0 225.336 0.326 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]([NH3+])CC(F)F ZINC000571439258 323144865 /nfs/dbraw/zinc/14/48/65/323144865.db2.gz MQZVGGDCZPKCHY-SECBINFHSA-N 2 0 249.305 0.522 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)C1(C[NH3+])CCC1 ZINC000571463719 323145411 /nfs/dbraw/zinc/14/54/11/323145411.db2.gz GYGIUHXCCYGWCJ-UHFFFAOYSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H](CNC(=O)CC[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000161070702 323145762 /nfs/dbraw/zinc/14/57/62/323145762.db2.gz CKFNOXUYXZICOX-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)c2ccccc2CC[NH3+])C1 ZINC000571532020 323147200 /nfs/dbraw/zinc/14/72/00/323147200.db2.gz RFBQKDRIHBMLJM-GFCCVEGCSA-N 2 0 247.342 0.622 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000571558348 323147917 /nfs/dbraw/zinc/14/79/17/323147917.db2.gz VYRIHFRNEKPDCW-UKKRHICBSA-N 2 0 242.367 0.491 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000571573338 323148131 /nfs/dbraw/zinc/14/81/31/323148131.db2.gz ZDAIGEMWWAWZBW-MXWKQRLJSA-N 2 0 200.326 0.687 20 0 BCADRP COC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)C1CC1 ZINC000397273922 323150432 /nfs/dbraw/zinc/15/04/32/323150432.db2.gz YLFRDVIUZNJZOD-DLOVCJGASA-N 2 0 212.337 0.999 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000571643584 323150676 /nfs/dbraw/zinc/15/06/76/323150676.db2.gz AGWJLDCFJLFZLZ-CABZTGNLSA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000040924100 323158242 /nfs/dbraw/zinc/15/82/42/323158242.db2.gz AHQJCPGVNCYNDS-LLVKDONJSA-N 2 0 239.363 0.811 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000563811364 323178726 /nfs/dbraw/zinc/17/87/26/323178726.db2.gz AFAIBBVJFKYIAW-XTFFHMRSSA-N 2 0 249.358 0.371 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1CC[NH+](C)CC1 ZINC000563885588 323183343 /nfs/dbraw/zinc/18/33/43/323183343.db2.gz CFQAIRPNMBBSCU-ONGXEEELSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000070318091 323186493 /nfs/dbraw/zinc/18/64/93/323186493.db2.gz OLNPJNCRIZTQQD-VXGBXAGGSA-N 2 0 239.363 0.811 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H]([NH3+])C1CCC1 ZINC000399095537 323196890 /nfs/dbraw/zinc/19/68/90/323196890.db2.gz VMBCXCXRJAUTND-GFCCVEGCSA-N 2 0 241.379 0.914 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2COCCN2)[C@@H](C)C1 ZINC000530226751 323219431 /nfs/dbraw/zinc/21/94/31/323219431.db2.gz YJPXLLTZNBGHFW-AVGNSLFASA-N 2 0 241.379 0.295 20 0 BCADRP CC[C@H]([NH2+]C[C@@H](O)CN(C)C)C1CCOCC1 ZINC000532515937 323272382 /nfs/dbraw/zinc/27/23/82/323272382.db2.gz VAWLQIRGWKPANP-OLZOCXBDSA-N 2 0 244.379 0.704 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C[NH2+]C1CC1 ZINC000563945649 323330250 /nfs/dbraw/zinc/33/02/50/323330250.db2.gz CBHOVTLIIUVOLS-GXSJLCMTSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563956811 323330663 /nfs/dbraw/zinc/33/06/63/323330663.db2.gz VGLZZOHWPZAPIF-USZNOCQGSA-N 2 0 237.347 0.337 20 0 BCADRP Cn1ccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000309257960 323332289 /nfs/dbraw/zinc/33/22/89/323332289.db2.gz GZZANNPBDJACLM-PWSUYJOCSA-N 2 0 220.320 0.604 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000309258610 323332781 /nfs/dbraw/zinc/33/27/81/323332781.db2.gz HFMBSBZRWGMXDJ-UWVGGRQHSA-N 2 0 213.325 0.086 20 0 BCADRP Cn1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)n1 ZINC000309257958 323332931 /nfs/dbraw/zinc/33/29/31/323332931.db2.gz GZZANNPBDJACLM-JQWIXIFHSA-N 2 0 220.320 0.604 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CCC[NH3+])C1 ZINC000309378251 323349050 /nfs/dbraw/zinc/34/90/50/323349050.db2.gz CYYOKYDRJGKSPA-NXEZZACHSA-N 2 0 213.325 0.311 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418400663 323391627 /nfs/dbraw/zinc/39/16/27/323391627.db2.gz MMVKLUKRZPJABX-QWRGUYRKSA-N 2 0 242.367 0.396 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418400682 323391871 /nfs/dbraw/zinc/39/18/71/323391871.db2.gz MPUILDUHBICLTB-JTQLQIEISA-N 2 0 242.367 0.350 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000309416891 323394962 /nfs/dbraw/zinc/39/49/62/323394962.db2.gz JIPUJVBLDWQFOJ-QXEWZRGKSA-N 2 0 213.325 0.167 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000571799370 323482826 /nfs/dbraw/zinc/48/28/26/323482826.db2.gz JMXOWKCQPVJCFP-HTQZYQBOSA-N 2 0 237.294 0.473 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000571894648 323500644 /nfs/dbraw/zinc/50/06/44/323500644.db2.gz LGKYPOJPCOFXQF-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000571939508 323510158 /nfs/dbraw/zinc/51/01/58/323510158.db2.gz PBUOOVAAYZGXQW-YUMQZZPRSA-N 2 0 201.314 0.084 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000572000491 323520960 /nfs/dbraw/zinc/52/09/60/323520960.db2.gz SCPLBUVHXVUWQB-VHSXEESVSA-N 2 0 227.352 0.476 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)C[NH2+]C2CC2)C1 ZINC000572155913 323554120 /nfs/dbraw/zinc/55/41/20/323554120.db2.gz XLCSVHIXTGSOII-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000572240370 323577466 /nfs/dbraw/zinc/57/74/66/323577466.db2.gz DOWBVVPLUNFELD-ZYHUDNBSSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000165348003 487959691 /nfs/dbraw/zinc/95/96/91/487959691.db2.gz HRQKSDOHEWQJQU-LPEHRKFASA-N 2 0 213.325 0.180 20 0 BCADRP C[NH2+]CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000121282414 324008866 /nfs/dbraw/zinc/00/88/66/324008866.db2.gz MRELEQXUHGKGAJ-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000537215365 324038426 /nfs/dbraw/zinc/03/84/26/324038426.db2.gz BWSXBOJLVXOMBZ-NSHDSACASA-N 2 0 227.352 0.348 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)C ZINC000537213983 324041034 /nfs/dbraw/zinc/04/10/34/324041034.db2.gz FHSXNYNKBGUSLE-UHFFFAOYSA-N 2 0 229.368 0.737 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)COC ZINC000122795003 324058462 /nfs/dbraw/zinc/05/84/62/324058462.db2.gz JAPAGGYSGBKBPW-NEPJUHHUSA-N 2 0 232.368 0.968 20 0 BCADRP CO[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)[C@H](CN)C1 ZINC000520814260 324110248 /nfs/dbraw/zinc/11/02/48/324110248.db2.gz JEFDMTHISRJYRY-FRRDWIJNSA-N 2 0 241.379 0.424 20 0 BCADRP C[C@@H](C[NH3+])C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000572479659 324121202 /nfs/dbraw/zinc/12/12/02/324121202.db2.gz CXNKHYZAEKMAKQ-VIFPVBQESA-N 2 0 236.319 0.677 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000572482391 324123950 /nfs/dbraw/zinc/12/39/50/324123950.db2.gz QGVVLFNKJIEBFS-UWVGGRQHSA-N 2 0 213.325 0.372 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000572525863 324189908 /nfs/dbraw/zinc/18/99/08/324189908.db2.gz UJYZPWHJPFHHDW-LOWVWBTDSA-N 2 0 237.347 0.326 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000572525795 324190189 /nfs/dbraw/zinc/19/01/89/324190189.db2.gz SNNVCGSPYDALHU-LBPRGKRZSA-N 2 0 241.379 0.949 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@@H](C)C[NH3+] ZINC000529337378 324273198 /nfs/dbraw/zinc/27/31/98/324273198.db2.gz OXJSQKSVTIGXIO-WDEREUQCSA-N 2 0 242.367 0.221 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000529342094 324276966 /nfs/dbraw/zinc/27/69/66/324276966.db2.gz RECONUVIKZCSRH-VWYCJHECSA-N 2 0 242.367 0.362 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000124306143 324613690 /nfs/dbraw/zinc/61/36/90/324613690.db2.gz WLTYLKIQFYCTJX-KXUCPTDWSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000127664952 324781048 /nfs/dbraw/zinc/78/10/48/324781048.db2.gz NAPDACAVUDOBHB-AAEUAGOBSA-N 2 0 241.379 0.866 20 0 BCADRP C[N@H+](CCNC(=O)NCC[NH2+]C1CC1)C1CC1 ZINC000669477866 487966796 /nfs/dbraw/zinc/96/67/96/487966796.db2.gz PWEWTMGWJOGQAU-UHFFFAOYSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(C)CC1 ZINC000131573891 325165539 /nfs/dbraw/zinc/16/55/39/325165539.db2.gz ZNPBTULLWLXHEL-GFCCVEGCSA-N 2 0 239.363 0.635 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000131813533 325185705 /nfs/dbraw/zinc/18/57/05/325185705.db2.gz PDHUKMGMZRCBOD-JTQLQIEISA-N 2 0 247.408 0.571 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000131847899 325186759 /nfs/dbraw/zinc/18/67/59/325186759.db2.gz UBBOJDAZXFOGOS-DCAQKATOSA-N 2 0 225.336 0.337 20 0 BCADRP CC[C@@H](C(=O)N1CC([NH+](C)C)C1)[NH+](C)C ZINC000135028368 325389243 /nfs/dbraw/zinc/38/92/43/325389243.db2.gz RJNLQRFKRKZQLS-JTQLQIEISA-N 2 0 213.325 0.099 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)[NH2+]1 ZINC000247120082 325586433 /nfs/dbraw/zinc/58/64/33/325586433.db2.gz MKEBKIGZJIEGSW-WRWGMCAJSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000247448207 325591439 /nfs/dbraw/zinc/59/14/39/325591439.db2.gz YRKFLYBWUWFRMT-GMTAPVOTSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H](C(=O)NC[C@H]1CCC[NH2+]C1)[C@H](C)[NH3+] ZINC000249024161 325633074 /nfs/dbraw/zinc/63/30/74/325633074.db2.gz LGGLJMPNLUYTTI-UTLUCORTSA-N 2 0 213.325 0.086 20 0 BCADRP COCC[NH2+]C1CCN(CCC[NH3+])CC1 ZINC000564661260 325802059 /nfs/dbraw/zinc/80/20/59/325802059.db2.gz OFAWOLWNNLOPJG-UHFFFAOYSA-N 2 0 215.341 0.036 20 0 BCADRP C[C@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC[NH2+]C1 ZINC000564726155 325805227 /nfs/dbraw/zinc/80/52/27/325805227.db2.gz HVXDLYRWITXMFU-GVXVVHGQSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCC(C[NH3+])CC1 ZINC000564937036 325829655 /nfs/dbraw/zinc/82/96/55/325829655.db2.gz IYYGMHZWJHEDNI-NXEZZACHSA-N 2 0 242.367 0.493 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000564971367 325835645 /nfs/dbraw/zinc/83/56/45/325835645.db2.gz ZPTJMBXRTWKOOW-JHJVBQTASA-N 2 0 223.364 0.527 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N)C1 ZINC000564983225 325840065 /nfs/dbraw/zinc/84/00/65/325840065.db2.gz NTIGQXOYCDZKGX-JTQLQIEISA-N 2 0 248.330 0.566 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000564995445 325842977 /nfs/dbraw/zinc/84/29/77/325842977.db2.gz UNFOEYMJVSVRBJ-WZRBSPASSA-N 2 0 239.363 0.633 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])CC(F)F ZINC000564996901 325843623 /nfs/dbraw/zinc/84/36/23/325843623.db2.gz ZRPNEFGEESNPFT-JGVFFNPUSA-N 2 0 249.305 0.473 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000565003623 325844832 /nfs/dbraw/zinc/84/48/32/325844832.db2.gz LAGKJCJKYFVSGU-LOWVWBTDSA-N 2 0 249.358 0.798 20 0 BCADRP C[C@@]1(C(=O)NCCNc2cc[nH+]cc2)CC[NH2+]C1 ZINC000565304867 325894040 /nfs/dbraw/zinc/89/40/40/325894040.db2.gz HHQZZKMREAIPOR-CYBMUJFWSA-N 2 0 248.330 0.031 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@H](C[NH3+])C2CC2)ccn1 ZINC000565827878 325961296 /nfs/dbraw/zinc/96/12/96/325961296.db2.gz GFKKIBDWCBXHDP-LLVKDONJSA-N 2 0 234.303 0.007 20 0 BCADRP [NH3+]CC1(CC(=O)NCC2CC[NH2+]CC2)CC1 ZINC000566099306 325994497 /nfs/dbraw/zinc/99/44/97/325994497.db2.gz NWZNDHBBXWJLKJ-UHFFFAOYSA-N 2 0 225.336 0.231 20 0 BCADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[NH2+]C1 ZINC000566100433 325994961 /nfs/dbraw/zinc/99/49/61/325994961.db2.gz SDTNCJSEKZCMOP-LLVKDONJSA-N 2 0 237.347 0.435 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000566198134 326011370 /nfs/dbraw/zinc/01/13/70/326011370.db2.gz ZKGGNAZBMUPWBB-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000566201683 326011955 /nfs/dbraw/zinc/01/19/55/326011955.db2.gz UPZOBXYLSQHRCE-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH3+])C(C)C ZINC000566201682 326012037 /nfs/dbraw/zinc/01/20/37/326012037.db2.gz UPZOBXYLSQHRCE-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000566204644 326012480 /nfs/dbraw/zinc/01/24/80/326012480.db2.gz XXDMOEGGONZVDU-AXFHLTTASA-N 2 0 225.336 0.100 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000566206119 326013191 /nfs/dbraw/zinc/01/31/91/326013191.db2.gz OXIHXWJSOWLDSD-MMWGEVLESA-N 2 0 227.352 0.617 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000566210067 326013625 /nfs/dbraw/zinc/01/36/25/326013625.db2.gz YJJFZUUKVZKNLR-LNFKQOIKSA-N 2 0 225.336 0.241 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000566213319 326014126 /nfs/dbraw/zinc/01/41/26/326014126.db2.gz ZXQVXJAWYBGCTA-VWYCJHECSA-N 2 0 227.352 0.748 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000566213317 326014839 /nfs/dbraw/zinc/01/48/39/326014839.db2.gz ZXQVXJAWYBGCTA-DCAQKATOSA-N 2 0 227.352 0.748 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC1(C)CC[NH2+]CC1 ZINC000566253095 326020324 /nfs/dbraw/zinc/02/03/24/326020324.db2.gz ZNCGOPNLRDJSBO-JTQLQIEISA-N 2 0 227.352 0.633 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C1([NH3+])CCCCC1 ZINC000566258531 326020464 /nfs/dbraw/zinc/02/04/64/326020464.db2.gz WGUHGVSYDBTTJQ-UWVGGRQHSA-N 2 0 227.352 0.890 20 0 BCADRP O=C1NCC[C@@H]1[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566245126 326021462 /nfs/dbraw/zinc/02/14/62/326021462.db2.gz DGSXYOYPMUGNKE-UTUOFQBUSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCCC[NH2+]C1CC1 ZINC000566256876 326025582 /nfs/dbraw/zinc/02/55/82/326025582.db2.gz OFMRPACEBKSFGS-VIFPVBQESA-N 2 0 213.325 0.372 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000566296194 326030328 /nfs/dbraw/zinc/03/03/28/326030328.db2.gz WECZVTNXBORGAT-WDEREUQCSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000566351315 326035895 /nfs/dbraw/zinc/03/58/95/326035895.db2.gz TUTDEBUBODBALU-GFCCVEGCSA-N 2 0 242.363 0.459 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000566412407 326041170 /nfs/dbraw/zinc/04/11/70/326041170.db2.gz VVXJQGGKRWRZRQ-MNOVXSKESA-N 2 0 227.352 0.666 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000566470891 326052784 /nfs/dbraw/zinc/05/27/84/326052784.db2.gz MBORMSQUITXITQ-MNOVXSKESA-N 2 0 239.363 0.762 20 0 BCADRP O=C(CC[NH2+]C1CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000566472017 326053196 /nfs/dbraw/zinc/05/31/96/326053196.db2.gz WQDLTVAVXJWUDZ-GFCCVEGCSA-N 2 0 237.347 0.481 20 0 BCADRP C[NH2+]CCC[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000566562294 326064263 /nfs/dbraw/zinc/06/42/63/326064263.db2.gz VCYKRLGNHWUIHC-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000566610317 326067460 /nfs/dbraw/zinc/06/74/60/326067460.db2.gz JYQADJKLNPGRAD-GARJFASQSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000566678740 326072908 /nfs/dbraw/zinc/07/29/08/326072908.db2.gz JLLMYQMDIYQLSH-IJLUTSLNSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)COC1CCC([NH3+])CC1 ZINC000566796203 326082751 /nfs/dbraw/zinc/08/27/51/326082751.db2.gz OJCDPYSIFYHBCB-SAAXCQNUSA-N 2 0 243.351 0.125 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000566854547 326088182 /nfs/dbraw/zinc/08/81/82/326088182.db2.gz XWCABUDVSCRFIS-JQWIXIFHSA-N 2 0 235.331 0.582 20 0 BCADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@H](C)O ZINC000566910879 326093054 /nfs/dbraw/zinc/09/30/54/326093054.db2.gz KTQQUADXXVAKBF-NEPJUHHUSA-N 2 0 243.395 0.371 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000566982797 326100062 /nfs/dbraw/zinc/10/00/62/326100062.db2.gz NGBCIMHVLHRGLE-GFCCVEGCSA-N 2 0 241.379 0.783 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404880393 326102066 /nfs/dbraw/zinc/10/20/66/326102066.db2.gz JDESXNBBZXPWAF-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000567031211 326103931 /nfs/dbraw/zinc/10/39/31/326103931.db2.gz OVOIBZDKYTWORG-IYKVGLELSA-N 2 0 239.363 0.487 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000567236949 326148488 /nfs/dbraw/zinc/14/84/88/326148488.db2.gz VRLUMOFYYODWMO-MDZLAQPJSA-N 2 0 239.363 0.620 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)CCC1CC[NH2+]CC1 ZINC000154525736 326149077 /nfs/dbraw/zinc/14/90/77/326149077.db2.gz NVAIXQKYVYUEJM-NSHDSACASA-N 2 0 241.379 0.738 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000309743119 326166692 /nfs/dbraw/zinc/16/66/92/326166692.db2.gz DTQRPTDMFBAYLV-SNVBAGLBSA-N 2 0 213.325 0.180 20 0 BCADRP CN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)C1CC[NH2+]CC1 ZINC000567500844 326203739 /nfs/dbraw/zinc/20/37/39/326203739.db2.gz QDOSSURRCZVQGR-AAEUAGOBSA-N 2 0 237.347 0.196 20 0 BCADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1cc[nH]n1 ZINC000567505303 326206606 /nfs/dbraw/zinc/20/66/06/326206606.db2.gz ULGGUHPVPOODIF-SNVBAGLBSA-N 2 0 208.309 0.841 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000567505067 326206658 /nfs/dbraw/zinc/20/66/58/326206658.db2.gz LFXSQZYDIZCPQQ-OUAUKWLOSA-N 2 0 227.352 0.428 20 0 BCADRP CC[NH2+]CCCNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000567572699 326219854 /nfs/dbraw/zinc/21/98/54/326219854.db2.gz URTWSLFZBHXYQZ-QWRGUYRKSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@]2(C)CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000567586797 326222875 /nfs/dbraw/zinc/22/28/75/326222875.db2.gz HTJSRAFHQXLQIT-SCVCMEIPSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+][C@@H](C(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000567587001 326223646 /nfs/dbraw/zinc/22/36/46/326223646.db2.gz PZWXMYMATYULCO-VXGBXAGGSA-N 2 0 233.315 0.540 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CC2(CC(=O)OC)CC2)C1 ZINC000567589363 326224187 /nfs/dbraw/zinc/22/41/87/326224187.db2.gz HTKCHEVDLARJID-NSHDSACASA-N 2 0 240.347 0.871 20 0 BCADRP C[C@H](C(=O)NCCC[C@H]1CCC[NH2+]1)C1C[NH2+]C1 ZINC000567612358 326229009 /nfs/dbraw/zinc/22/90/09/326229009.db2.gz LFRTWHKKFCHVOP-CMPLNLGQSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H]([NH3+])CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000567614049 326229424 /nfs/dbraw/zinc/22/94/24/326229424.db2.gz ZYRLVAUCUYMREA-CMPLNLGQSA-N 2 0 220.320 0.375 20 0 BCADRP C[C@@]1(C(=O)NCC[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000567668396 326241952 /nfs/dbraw/zinc/24/19/52/326241952.db2.gz MHWAQRSFBVJRJJ-ZYHUDNBSSA-N 2 0 225.336 0.244 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000567731994 326252805 /nfs/dbraw/zinc/25/28/05/326252805.db2.gz JFJCUMKNTSPVDC-AAEUAGOBSA-N 2 0 241.379 0.914 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000567731995 326252885 /nfs/dbraw/zinc/25/28/85/326252885.db2.gz JFJCUMKNTSPVDC-DGCLKSJQSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000567820104 326263176 /nfs/dbraw/zinc/26/31/76/326263176.db2.gz FWCFRZOSSFQZJS-GARJFASQSA-N 2 0 242.367 0.506 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000567822346 326263600 /nfs/dbraw/zinc/26/36/00/326263600.db2.gz NRLOOUXGFIIHGB-NSHDSACASA-N 2 0 239.363 0.573 20 0 BCADRP CN(C(=O)c1ccc2c(c1)C[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000567829345 326265479 /nfs/dbraw/zinc/26/54/79/326265479.db2.gz BNORZMVUEHSSNL-ZDUSSCGKSA-N 2 0 245.326 0.724 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000567834233 326266207 /nfs/dbraw/zinc/26/62/07/326266207.db2.gz WJNWSCBNBHIQFG-CHWSQXEVSA-N 2 0 247.342 0.897 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000567834235 326266212 /nfs/dbraw/zinc/26/62/12/326266212.db2.gz WJNWSCBNBHIQFG-QWHCGFSZSA-N 2 0 247.342 0.897 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000567834234 326266300 /nfs/dbraw/zinc/26/63/00/326266300.db2.gz WJNWSCBNBHIQFG-OLZOCXBDSA-N 2 0 247.342 0.897 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000567837251 326267043 /nfs/dbraw/zinc/26/70/43/326267043.db2.gz HJWXTVPGAXZPTB-GARJFASQSA-N 2 0 227.352 0.557 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000567837239 326267076 /nfs/dbraw/zinc/26/70/76/326267076.db2.gz DKGFYKXMEPQLIV-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)[C@H](C)[NH3+] ZINC000567837253 326267105 /nfs/dbraw/zinc/26/71/05/326267105.db2.gz HJWXTVPGAXZPTB-VWYCJHECSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567839050 326267886 /nfs/dbraw/zinc/26/78/86/326267886.db2.gz PUWGSBYNXNAMLA-QJPTWQEYSA-N 2 0 241.379 0.866 20 0 BCADRP COC[C@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000567838988 326267923 /nfs/dbraw/zinc/26/79/23/326267923.db2.gz FQKPREKUVZCQFX-JTQLQIEISA-N 2 0 223.276 0.058 20 0 BCADRP C[NH2+]CCCN(C)C(=O)c1coc(C[NH3+])c1 ZINC000567842416 326268368 /nfs/dbraw/zinc/26/83/68/326268368.db2.gz NCROHZAMMOKSLC-UHFFFAOYSA-N 2 0 225.292 0.420 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000567846455 326269200 /nfs/dbraw/zinc/26/92/00/326269200.db2.gz CGHSZIONICYXPM-GMTAPVOTSA-N 2 0 227.352 0.413 20 0 BCADRP [NH3+]C1(c2noc([C@@H]3C[C@]34CC[NH2+]C4)n2)CCC1 ZINC000567852551 326270858 /nfs/dbraw/zinc/27/08/58/326270858.db2.gz ODJSROVVWXPQMQ-KWQFWETISA-N 2 0 234.303 0.875 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000567907847 326281251 /nfs/dbraw/zinc/28/12/51/326281251.db2.gz BTMMMPRQMHOANT-BXKDBHETSA-N 2 0 221.304 0.324 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567912996 326282296 /nfs/dbraw/zinc/28/22/96/326282296.db2.gz ZVYFROJEZJUWKP-MVCUBJFGSA-N 2 0 225.336 0.226 20 0 BCADRP CC[NH+](CCO)CCC[N@H+](CC)CCO ZINC000157562253 326283282 /nfs/dbraw/zinc/28/32/82/326283282.db2.gz CDIRDJYCASCJDM-UHFFFAOYSA-N 2 0 218.341 0.005 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000567926253 326284736 /nfs/dbraw/zinc/28/47/36/326284736.db2.gz DRHOVVLZKQJHAN-ZYUZMQFOSA-N 2 0 213.325 0.165 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000568051669 326300248 /nfs/dbraw/zinc/30/02/48/326300248.db2.gz XGXPTXXUORWXAK-UMNHJUIQSA-N 2 0 212.337 0.545 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](C(C)C)C1 ZINC000568050858 326300673 /nfs/dbraw/zinc/30/06/73/326300673.db2.gz JTCFBRMOEVCEHP-RYUDHWBXSA-N 2 0 214.353 0.935 20 0 BCADRP CC(C)[NH2+][C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000568103830 326308529 /nfs/dbraw/zinc/30/85/29/326308529.db2.gz MUDINOUBJPWYNG-SNVBAGLBSA-N 2 0 241.335 0.064 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC([NH+](C)C)C1 ZINC000158379249 326316733 /nfs/dbraw/zinc/31/67/33/326316733.db2.gz HSSLPJHMLYQRBW-UHFFFAOYSA-N 2 0 213.325 0.101 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000568247905 326329770 /nfs/dbraw/zinc/32/97/70/326329770.db2.gz AIWMRGFVJHFQJW-ZRUFSTJUSA-N 2 0 214.309 0.260 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)c1conc1C(C)(C)[NH3+] ZINC000568230963 326330091 /nfs/dbraw/zinc/33/00/91/326330091.db2.gz IVLOMBPMIUEKLJ-ZETCQYMHSA-N 2 0 240.307 0.193 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000568231493 326330530 /nfs/dbraw/zinc/33/05/30/326330530.db2.gz VYAZWFIOTBCTMM-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H](CC(=O)NCC[NH3+])C1CC[NH2+]CC1 ZINC000158713920 326340371 /nfs/dbraw/zinc/34/03/71/326340371.db2.gz DZUJAKQEGFUVRV-VIFPVBQESA-N 2 0 213.325 0.087 20 0 BCADRP CC[NH2+]CCCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000568491202 326359311 /nfs/dbraw/zinc/35/93/11/326359311.db2.gz NGGFZAKCDLDGGT-UHFFFAOYSA-N 2 0 242.367 0.379 20 0 BCADRP FC(F)[C@H]1C[NH2+]CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000568512142 326361500 /nfs/dbraw/zinc/36/15/00/326361500.db2.gz IPWLQEWEWLRMED-WDEREUQCSA-N 2 0 247.333 0.915 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000568513029 326361856 /nfs/dbraw/zinc/36/18/56/326361856.db2.gz WHOQGNSNCRHMBS-UMNHJUIQSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)CN(C(=O)[C@H](C)[NH3+])C1CC[NH+](C)CC1 ZINC000568513221 326361937 /nfs/dbraw/zinc/36/19/37/326361937.db2.gz LZTYQPSXKGFIBT-NSHDSACASA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C[C@H](O)C[NH+](C)CC ZINC000568527087 326363277 /nfs/dbraw/zinc/36/32/77/326363277.db2.gz KWAVDRFAYPRMIK-CHWSQXEVSA-N 2 0 243.395 0.325 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000568628251 326366497 /nfs/dbraw/zinc/36/64/97/326366497.db2.gz NIJFBOSRHMUAAZ-SNVBAGLBSA-N 2 0 245.392 0.183 20 0 BCADRP CCOC[C@@H](O)C[NH2+][C@@H](C)C1=CC[N@H+](C)CC1 ZINC000568621815 326368053 /nfs/dbraw/zinc/36/80/53/326368053.db2.gz LBSIISGNQQVREC-AAEUAGOBSA-N 2 0 242.363 0.624 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000568664506 326371825 /nfs/dbraw/zinc/37/18/25/326371825.db2.gz OXJHOSHAFMMNIH-UWVGGRQHSA-N 2 0 228.340 0.104 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000568738230 326374251 /nfs/dbraw/zinc/37/42/51/326374251.db2.gz ZJRJDWJEOPUNIE-UHTWSYAYSA-N 2 0 247.342 0.801 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000568760772 326375498 /nfs/dbraw/zinc/37/54/98/326375498.db2.gz BCUHXDJNNLQXNG-NAKRPEOUSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000568864842 326379879 /nfs/dbraw/zinc/37/98/79/326379879.db2.gz RKZQRAYDGJPPSD-MPPDQPJWSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000568864841 326379924 /nfs/dbraw/zinc/37/99/24/326379924.db2.gz RKZQRAYDGJPPSD-LSCVPOLPSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@H](C[NH3+])NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000568999234 326385993 /nfs/dbraw/zinc/38/59/93/326385993.db2.gz ZPUVMVCGHKGBLN-BDAKNGLRSA-N 2 0 221.304 0.783 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C12CCC[NH+]1CCC2 ZINC000569004616 326386343 /nfs/dbraw/zinc/38/63/43/326386343.db2.gz HZSIJAIVKOWWTD-WDEREUQCSA-N 2 0 239.363 0.857 20 0 BCADRP [NH3+]CCNC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000569101412 326390240 /nfs/dbraw/zinc/39/02/40/326390240.db2.gz PZZXSRFEGSTHFM-NSHDSACASA-N 2 0 221.304 0.021 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000569117294 326390958 /nfs/dbraw/zinc/39/09/58/326390958.db2.gz FFAHTYCPGVKETN-QJPTWQEYSA-N 2 0 239.363 0.572 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000569220337 326395766 /nfs/dbraw/zinc/39/57/66/326395766.db2.gz AOTJETKFXYQUTP-CMPLNLGQSA-N 2 0 225.336 0.102 20 0 BCADRP [NH3+]CCN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000572842548 326414273 /nfs/dbraw/zinc/41/42/73/326414273.db2.gz HQLMRUIVGQVRRA-VXGBXAGGSA-N 2 0 227.352 0.163 20 0 BCADRP C[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000572952416 326420535 /nfs/dbraw/zinc/42/05/35/326420535.db2.gz OZMQJDIZSYVVPZ-DMDPSCGWSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)[C@H]1CCC[NH2+]C1 ZINC000572959579 326421051 /nfs/dbraw/zinc/42/10/51/326421051.db2.gz YBBRWMBNBNXBML-DLOVCJGASA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000573235630 326436993 /nfs/dbraw/zinc/43/69/93/326436993.db2.gz IWBLYBGMUWYGMZ-XWLWVQCSSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)[C@H](C)[NH3+] ZINC000235483632 487972314 /nfs/dbraw/zinc/97/23/14/487972314.db2.gz TWKJCGDIAOIBMA-UTLUCORTSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000446402791 487980255 /nfs/dbraw/zinc/98/02/55/487980255.db2.gz NGVPZNSMJYFIFJ-OPRDCNLKSA-N 2 0 227.352 0.746 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000446399008 487980282 /nfs/dbraw/zinc/98/02/82/487980282.db2.gz SSOHFEROPGRBEQ-ZDCRXTMVSA-N 2 0 227.352 0.746 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000309513861 487982228 /nfs/dbraw/zinc/98/22/28/487982228.db2.gz YASPQLHUHGAQAL-ZJUUUORDSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H]1CN(C(=O)CC2([NH3+])CCC2)C[C@H](C)[NH2+]1 ZINC000154143347 487991442 /nfs/dbraw/zinc/99/14/42/487991442.db2.gz YQPUSDJPGSJRBT-AOOOYVTPSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@]1(C(N)=O)CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000396746123 488003069 /nfs/dbraw/zinc/00/30/69/488003069.db2.gz YTGLBORCILZGCI-CMPLNLGQSA-N 2 0 225.336 0.183 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000309640309 488004499 /nfs/dbraw/zinc/00/44/99/488004499.db2.gz ULGHDLHLYJSFEX-SECBINFHSA-N 2 0 211.309 0.065 20 0 BCADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCOC2)CC1 ZINC000109429556 488004722 /nfs/dbraw/zinc/00/47/22/488004722.db2.gz MROGNLGDEIQQMC-LBPRGKRZSA-N 2 0 241.379 0.391 20 0 BCADRP CC[N@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCOC1 ZINC000309646775 488009843 /nfs/dbraw/zinc/00/98/43/488009843.db2.gz QRYQIQLJVCXZHQ-VXGBXAGGSA-N 2 0 212.337 0.954 20 0 BCADRP [NH3+]CCOCC[NH+]1CCC(CCO)CC1 ZINC000401009318 488015308 /nfs/dbraw/zinc/01/53/08/488015308.db2.gz GEXOSKPEYPFUDK-UHFFFAOYSA-N 2 0 216.325 0.056 20 0 BCADRP CC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000229962607 488015812 /nfs/dbraw/zinc/01/58/12/488015812.db2.gz OBQULLOPKWXDSV-YATPEIPISA-N 2 0 212.337 0.972 20 0 BCADRP C[C@@H](C(=O)NCc1cncn1C)N1CC(C)C1 ZINC000514613563 488028399 /nfs/dbraw/zinc/02/83/99/488028399.db2.gz JOPJSWUAGOXQNB-JTQLQIEISA-N 2 0 236.319 0.377 20 0 BCADRP CC(C)([NH3+])CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000084168781 488031979 /nfs/dbraw/zinc/03/19/79/488031979.db2.gz OOYOKFBLZVCMOQ-SNVBAGLBSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000310499353 488034239 /nfs/dbraw/zinc/03/42/39/488034239.db2.gz HMXQXMLUZWTKMO-UPJWGTAASA-N 2 0 244.379 0.845 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@]12C[C@H]1C[NH2+]C2 ZINC000663493722 488043182 /nfs/dbraw/zinc/04/31/82/488043182.db2.gz IVXOUXZVYSQVGZ-ZDEQEGDKSA-N 2 0 223.364 0.703 20 0 BCADRP C(N1CCC[C@@]2(CC[NH2+]C2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493488 488043347 /nfs/dbraw/zinc/04/33/47/488043347.db2.gz IFIVMOQVYBUGHV-RDBSUJKOSA-N 2 0 235.375 0.671 20 0 BCADRP CCCN(C[C@@]12C[C@@H]1C[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000663495636 488045731 /nfs/dbraw/zinc/04/57/31/488045731.db2.gz OZLIIMLZXNUCMP-UPJWGTAASA-N 2 0 223.364 0.670 20 0 BCADRP C[N@H+](CCNC(=O)C[C@H]1CC[NH2+]C1)C1CC1 ZINC000084383351 488049003 /nfs/dbraw/zinc/04/90/03/488049003.db2.gz GWHLMZISMNTVCC-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+]CCCNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669490834 488052969 /nfs/dbraw/zinc/05/29/69/488052969.db2.gz AZUXYDYGWZMBBE-LLVKDONJSA-N 2 0 240.351 0.119 20 0 BCADRP C([C@@H]1CNCCO1)[N@@H+]1CCC2(C1)CCOCC2 ZINC000310200879 488071128 /nfs/dbraw/zinc/07/11/28/488071128.db2.gz BOQDHPSVXFLNSE-LBPRGKRZSA-N 2 0 240.347 0.477 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000257654489 488077043 /nfs/dbraw/zinc/07/70/43/488077043.db2.gz CCCRWSHGWAYOHK-HTAVTVPLSA-N 2 0 239.363 0.857 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)C[NH2+]C(C)C)C1 ZINC000389173067 488079589 /nfs/dbraw/zinc/07/95/89/488079589.db2.gz OJCZUOAPNMEMDM-NSHDSACASA-N 2 0 227.352 0.585 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CC)C1 ZINC000389195344 488080409 /nfs/dbraw/zinc/08/04/09/488080409.db2.gz WZSUXHSHJBFXHA-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CC(C)(C)[NH3+] ZINC000236724977 488082877 /nfs/dbraw/zinc/08/28/77/488082877.db2.gz CGQRNALPFJUFBZ-JTQLQIEISA-N 2 0 229.368 0.946 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000236723864 488083090 /nfs/dbraw/zinc/08/30/90/488083090.db2.gz CHNAFPBWGWIAHM-WDEREUQCSA-N 2 0 227.352 0.476 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000236712584 488082905 /nfs/dbraw/zinc/08/29/05/488082905.db2.gz VSCHXEKQMXHFNT-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000257726324 488084429 /nfs/dbraw/zinc/08/44/29/488084429.db2.gz VMGVIFVXOYRIDP-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@H](O)CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000227713491 488092238 /nfs/dbraw/zinc/09/22/38/488092238.db2.gz CGFQYXCOARNPQD-RYUDHWBXSA-N 2 0 230.352 0.194 20 0 BCADRP Cc1ncc(CN2C[C@H]3C[NH2+]C[C@H]3C2)n1C ZINC000667712352 488097404 /nfs/dbraw/zinc/09/74/04/488097404.db2.gz DBGSRTUPBBUJOB-PHIMTYICSA-N 2 0 220.320 0.380 20 0 BCADRP COC[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000310538629 488099728 /nfs/dbraw/zinc/09/97/28/488099728.db2.gz QAIAEYHTPNIEDW-STQMWFEESA-N 2 0 244.379 0.656 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])[C@@H](C)CC)C1 ZINC000389568954 488102027 /nfs/dbraw/zinc/10/20/27/488102027.db2.gz AGSMDHWRIWUOCL-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000389634343 488103667 /nfs/dbraw/zinc/10/36/67/488103667.db2.gz IVSIBLWENSRBGX-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000389634338 488103752 /nfs/dbraw/zinc/10/37/52/488103752.db2.gz IVSIBLWENSRBGX-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000389660587 488104521 /nfs/dbraw/zinc/10/45/21/488104521.db2.gz RNXDTKDTDJMACM-LBPRGKRZSA-N 2 0 239.363 0.729 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000389662446 488104324 /nfs/dbraw/zinc/10/43/24/488104324.db2.gz SDKKBSRBSCPWJT-AAEUAGOBSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH+]1CCC(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000237105298 488104266 /nfs/dbraw/zinc/10/42/66/488104266.db2.gz AGLANFYQKSNXCF-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000092955080 488104745 /nfs/dbraw/zinc/10/47/45/488104745.db2.gz TUSVDVPRONYMLT-PWSUYJOCSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000389683577 488105651 /nfs/dbraw/zinc/10/56/51/488105651.db2.gz YIXOTYYBXCSNGF-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000237173822 488106344 /nfs/dbraw/zinc/10/63/44/488106344.db2.gz BIKKPUCQADYQNO-JTQLQIEISA-N 2 0 213.325 0.244 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CC(C)(C)[NH3+] ZINC000669509083 488107865 /nfs/dbraw/zinc/10/78/65/488107865.db2.gz QBZAZHYZNHWFHE-NXEZZACHSA-N 2 0 227.352 0.842 20 0 BCADRP CC(C)([NH3+])CC(=O)NCC1([NH3+])CCCCC1 ZINC000669508406 488109228 /nfs/dbraw/zinc/10/92/28/488109228.db2.gz ULFVIGXNLCSIGW-UHFFFAOYSA-N 2 0 227.352 0.892 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669509432 488110390 /nfs/dbraw/zinc/11/03/90/488110390.db2.gz DWGJDRMYDMHGOS-CMPLNLGQSA-N 2 0 227.352 0.762 20 0 BCADRP O=C(CC[NH2+]C1CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726836 488111637 /nfs/dbraw/zinc/11/16/37/488111637.db2.gz XRWJXBFTPFXGTO-NSHDSACASA-N 2 0 237.347 0.481 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[NH2+]C2CC2)C1 ZINC000669510341 488112702 /nfs/dbraw/zinc/11/27/02/488112702.db2.gz LJFOOLMSWJCTDY-MWLCHTKSSA-N 2 0 225.336 0.243 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)CC1([NH3+])CCC1 ZINC000669510450 488112409 /nfs/dbraw/zinc/11/24/09/488112409.db2.gz KLJGSYZSOYMVGS-UHFFFAOYSA-N 2 0 227.352 0.762 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000669510364 488112818 /nfs/dbraw/zinc/11/28/18/488112818.db2.gz QXAUJQDELAKPKI-CYBMUJFWSA-N 2 0 247.342 0.863 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000669510454 488112830 /nfs/dbraw/zinc/11/28/30/488112830.db2.gz LSBQSZRYILNZGJ-NWDGAFQWSA-N 2 0 241.379 0.879 20 0 BCADRP CN(CCC[NH3+])C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000669511693 488115948 /nfs/dbraw/zinc/11/59/48/488115948.db2.gz ABVAHTPIWJPETN-UHFFFAOYSA-N 2 0 247.342 0.290 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000669512322 488117592 /nfs/dbraw/zinc/11/75/92/488117592.db2.gz AFPGSYVXVQNDPW-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000669512406 488118647 /nfs/dbraw/zinc/11/86/47/488118647.db2.gz PPPOOHYVQVCTFT-JTQLQIEISA-N 2 0 225.336 0.339 20 0 BCADRP CC(C)([NH3+])CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000669512891 488119850 /nfs/dbraw/zinc/11/98/50/488119850.db2.gz JUQIPFXXQATTBI-SNVBAGLBSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC1([NH3+])CCC1 ZINC000669514036 488122254 /nfs/dbraw/zinc/12/22/54/488122254.db2.gz AZPUJSJPXPHCCQ-NXEZZACHSA-N 2 0 225.336 0.372 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000389891708 488122774 /nfs/dbraw/zinc/12/27/74/488122774.db2.gz OAPRNXBACKJOBY-BDAKNGLRSA-N 2 0 249.305 0.569 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C1([NH+](C)C)CC1 ZINC000668693134 488122723 /nfs/dbraw/zinc/12/27/23/488122723.db2.gz NQKMNTTYUBRPJJ-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000669514007 488123204 /nfs/dbraw/zinc/12/32/04/488123204.db2.gz VOTKFXPWUMKYRB-SKDRFNHKSA-N 2 0 233.315 0.337 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C[NH2+]C2CC2)CC[NH2+]1 ZINC000669514777 488123952 /nfs/dbraw/zinc/12/39/52/488123952.db2.gz HRTLCWZJKVVCCN-LLVKDONJSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000669514687 488123785 /nfs/dbraw/zinc/12/37/85/488123785.db2.gz ZVIDQKRIHANLEJ-IJLUTSLNSA-N 2 0 239.363 0.633 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000669514722 488123796 /nfs/dbraw/zinc/12/37/96/488123796.db2.gz CFKWCNBDNWEZGI-VXGBXAGGSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C[NH2+]CC2CC2)CC[NH2+]1 ZINC000669514919 488123861 /nfs/dbraw/zinc/12/38/61/488123861.db2.gz SIEOOOOATUPJJM-GFCCVEGCSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000669514628 488124186 /nfs/dbraw/zinc/12/41/86/488124186.db2.gz VPBFBNMXCGHDPS-VXGBXAGGSA-N 2 0 239.363 0.585 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000669514982 488125170 /nfs/dbraw/zinc/12/51/70/488125170.db2.gz YWYSQFQXPGEJTB-YPMHNXCESA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000669516187 488126147 /nfs/dbraw/zinc/12/61/47/488126147.db2.gz WVMZAZNGJPUKLO-QCNOEVLYSA-N 2 0 241.379 0.946 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000669516212 488127046 /nfs/dbraw/zinc/12/70/46/488127046.db2.gz XXEUUCWLASQUDP-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C[NH2+]C1CC1 ZINC000669518625 488130327 /nfs/dbraw/zinc/13/03/27/488130327.db2.gz URTCNVXDGJFLKM-KBVBSXBZSA-N 2 0 225.336 0.241 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CC1([NH3+])CCC1 ZINC000669518588 488130436 /nfs/dbraw/zinc/13/04/36/488130436.db2.gz FFLYZZAQYZAGHM-SCVCMEIPSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H](CCO)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000085131490 488131733 /nfs/dbraw/zinc/13/17/33/488131733.db2.gz SVTIHWXVLZLMJB-RYUDHWBXSA-N 2 0 230.352 0.051 20 0 BCADRP COC[C@H](C[NH2+][C@@H]1CC[NH2+]CC1(C)C)OC ZINC000300857417 487541583 /nfs/dbraw/zinc/54/15/83/487541583.db2.gz OQLKUTLQPMHSOR-WDEREUQCSA-N 2 0 230.352 0.626 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000674264492 487541882 /nfs/dbraw/zinc/54/18/82/487541882.db2.gz XDYOVHVWKUALPO-UWVGGRQHSA-N 2 0 213.325 0.147 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674284244 487546028 /nfs/dbraw/zinc/54/60/28/487546028.db2.gz OQSGRZSLPHCVDE-NSHDSACASA-N 2 0 241.379 0.926 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000162248258 487546665 /nfs/dbraw/zinc/54/66/65/487546665.db2.gz KOIKAFZUQPYQOB-OUAUKWLOSA-N 2 0 225.336 0.515 20 0 BCADRP [NH3+][C@@H](CC(=O)NCC[NH2+]C1CC1)c1ccccc1 ZINC000237885667 487530154 /nfs/dbraw/zinc/53/01/54/487530154.db2.gz TWLYPXJBERWFEU-ZDUSSCGKSA-N 2 0 247.342 0.945 20 0 BCADRP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000674289248 487550615 /nfs/dbraw/zinc/55/06/15/487550615.db2.gz BKVJTNAQVXCZRS-JQWIXIFHSA-N 2 0 239.363 0.632 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000156181294 487556608 /nfs/dbraw/zinc/55/66/08/487556608.db2.gz BOQWGIUCZKUCCW-KXNHARMFSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183309019 487471191 /nfs/dbraw/zinc/47/11/91/487471191.db2.gz XUXDFSKTPSGLDJ-NSHDSACASA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCCC1CC[NH2+]CC1 ZINC000653271772 487472057 /nfs/dbraw/zinc/47/20/57/487472057.db2.gz KKTSWQDBTGEOPS-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000669520376 488141376 /nfs/dbraw/zinc/14/13/76/488141376.db2.gz BCLGATONYDEDAY-VIFPVBQESA-N 2 0 249.305 0.488 20 0 BCADRP C[C@@H](CNC(=O)CC1([NH3+])CCC1)[NH+]1CCCC1 ZINC000161063833 487474695 /nfs/dbraw/zinc/47/46/95/487474695.db2.gz LURAMYKFONTONJ-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H]1CCCN(C(=O)CC(C)(C)[NH3+])[C@@H]1C[NH3+] ZINC000237572409 487484520 /nfs/dbraw/zinc/48/45/20/487484520.db2.gz QFGSEYBMZRLHLR-VHSXEESVSA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)NCC[NH+](C)C ZINC000659620178 487478744 /nfs/dbraw/zinc/47/87/44/487478744.db2.gz BXKJGNANUGSVMH-SNVBAGLBSA-N 2 0 230.356 0.221 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)C[NH2+]C ZINC000086068549 487478771 /nfs/dbraw/zinc/47/87/71/487478771.db2.gz UYIHWIHZGYSZBA-GHMZBOCLSA-N 2 0 229.368 0.688 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)C[NH2+]C ZINC000086068543 487478899 /nfs/dbraw/zinc/47/88/99/487478899.db2.gz UYIHWIHZGYSZBA-WDEREUQCSA-N 2 0 229.368 0.688 20 0 BCADRP C[C@@H](C(=O)N[C@H](C[NH3+])C1CCCCC1)[NH+](C)C ZINC000237611813 487493370 /nfs/dbraw/zinc/49/33/70/487493370.db2.gz SQYKBZUHPWWUGB-CMPLNLGQSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H](C(=O)N1C[C@H](C)[NH2+]C[C@H]1C)[NH+](C)C ZINC000237620913 487494749 /nfs/dbraw/zinc/49/47/49/487494749.db2.gz IXMMJYXEPXPYRM-AEJSXWLSSA-N 2 0 213.325 0.145 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000086271217 487494754 /nfs/dbraw/zinc/49/47/54/487494754.db2.gz MSELVWXEVJKPTG-DCAQKATOSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@@H](O)C[NH2+]CCC[NH+]1CCCCC1 ZINC000666117475 487500345 /nfs/dbraw/zinc/50/03/45/487500345.db2.gz GJWJLSMCQCNSQU-LLVKDONJSA-N 2 0 200.326 0.833 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000381244344 487503213 /nfs/dbraw/zinc/50/32/13/487503213.db2.gz NWLSOILLTIKIDW-LPEHRKFASA-N 2 0 211.309 0.077 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000169813080 487507048 /nfs/dbraw/zinc/50/70/48/487507048.db2.gz VMNZYFNBIHCKEX-LLVKDONJSA-N 2 0 219.288 0.836 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000381436223 487508434 /nfs/dbraw/zinc/50/84/34/487508434.db2.gz XYZWNXFEMPPDQG-IVZWLZJFSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH2+]CCCN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000381481374 487509659 /nfs/dbraw/zinc/50/96/59/487509659.db2.gz STNMGLHCGGRNRW-RYUDHWBXSA-N 2 0 211.353 0.657 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000449485127 487510711 /nfs/dbraw/zinc/51/07/11/487510711.db2.gz OZBNCVQUJOVSFM-VWYCJHECSA-N 2 0 227.352 0.761 20 0 BCADRP [NH3+]C1(C(=O)NCC[NH2+]C2CC2)CCCCC1 ZINC000237792254 487516028 /nfs/dbraw/zinc/51/60/28/487516028.db2.gz VZUYGNQALCSDEJ-UHFFFAOYSA-N 2 0 225.336 0.516 20 0 BCADRP CCN1CC[C@@H]([N@@H+]2CCC[C@H](CC[NH3+])C2)C1=O ZINC000662273672 487521770 /nfs/dbraw/zinc/52/17/70/487521770.db2.gz XRBRCSCJBAGQJD-VXGBXAGGSA-N 2 0 239.363 0.668 20 0 BCADRP CN(C[C@@H]1CCC2(C[NH2+]C2)O1)C1(C[NH3+])CCC1 ZINC000662274129 487522899 /nfs/dbraw/zinc/52/28/99/487522899.db2.gz REYKAOPOEKSAST-NSHDSACASA-N 2 0 239.363 0.321 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000094294218 487526344 /nfs/dbraw/zinc/52/63/44/487526344.db2.gz CURPBQCQVQSIEV-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP CN(CC[NH3+])C(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000669521544 488155698 /nfs/dbraw/zinc/15/56/98/488155698.db2.gz CYUWZSGHCGQWNX-SNVBAGLBSA-N 2 0 241.722 0.757 20 0 BCADRP C[C@@H](NC(=O)NC[C@H](C)[NH3+])C(C)(C)C[NH+](C)C ZINC000669524883 488165488 /nfs/dbraw/zinc/16/54/88/488165488.db2.gz YSUFGCAUACFHPV-VHSXEESVSA-N 2 0 244.383 0.609 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000390554838 488166093 /nfs/dbraw/zinc/16/60/93/488166093.db2.gz PZACQFIYVQIGGJ-LPEHRKFASA-N 2 0 213.325 0.452 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335399259 487626342 /nfs/dbraw/zinc/62/63/42/487626342.db2.gz NYGGRWHONFJLEF-CYBMUJFWSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CC(C)(C)[NH3+] ZINC000186781241 487674729 /nfs/dbraw/zinc/67/47/29/487674729.db2.gz HRITZEGDTLZPDK-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP CCNC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000222925863 488136741 /nfs/dbraw/zinc/13/67/41/488136741.db2.gz IRKANKYIBYFUJH-AEJSXWLSSA-N 2 0 213.325 0.371 20 0 BCADRP CN(C(=O)CC1([NH3+])CCC1)C1(C[NH3+])CCC1 ZINC000669520681 488142029 /nfs/dbraw/zinc/14/20/29/488142029.db2.gz YIGQCGIQHLGRJA-UHFFFAOYSA-N 2 0 225.336 0.598 20 0 BCADRP C[C@@H](C(=O)NC1CCC([NH3+])CC1)[NH+](C)C ZINC000131906401 488148932 /nfs/dbraw/zinc/14/89/32/488148932.db2.gz AOBRPAKHINOGIS-IDKOKCKLSA-N 2 0 213.325 0.323 20 0 BCADRP [NH3+]C[C@@H](NC(=O)CC1([NH3+])CCC1)C1CCCC1 ZINC000669521088 488150417 /nfs/dbraw/zinc/15/04/17/488150417.db2.gz RTQDQFGGIXROCG-LLVKDONJSA-N 2 0 239.363 0.892 20 0 BCADRP C[C@]1(C(=O)NC[C@H]2CCCC[NH2+]2)CCC[NH2+]C1 ZINC000237763990 488156232 /nfs/dbraw/zinc/15/62/32/488156232.db2.gz HHQQAZBTLASZBF-YPMHNXCESA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC000230775568 488157112 /nfs/dbraw/zinc/15/71/12/488157112.db2.gz FZHIHBBOYKWGGQ-GHMZBOCLSA-N 2 0 222.336 0.632 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167516121 488174207 /nfs/dbraw/zinc/17/42/07/488174207.db2.gz XPYQBTPMGIMFMN-GRYCIOLGSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC[NH+]1CCCC1 ZINC000037477141 488186486 /nfs/dbraw/zinc/18/64/86/488186486.db2.gz BDRCQCSXTSIVCL-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP CC(C)[C@@H](C)[N@H+](C)C[C@@H]1CNCCO1 ZINC000043802269 488208438 /nfs/dbraw/zinc/20/84/38/488208438.db2.gz BJNOBEZSNBBHPC-MNOVXSKESA-N 2 0 200.326 0.951 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000398126819 488212060 /nfs/dbraw/zinc/21/20/60/488212060.db2.gz IVEKBKQYFZVDJQ-UHFFFAOYSA-N 2 0 239.363 0.668 20 0 BCADRP [NH3+]C1(CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000398242572 488215570 /nfs/dbraw/zinc/21/55/70/488215570.db2.gz ZZFWGNOSXANRCR-SECBINFHSA-N 2 0 223.320 0.221 20 0 BCADRP CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000673877228 488310752 /nfs/dbraw/zinc/31/07/52/488310752.db2.gz ZCTNPVSIYBPZOH-NSHDSACASA-N 2 0 242.367 0.284 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000566198900 490203651 /nfs/dbraw/zinc/20/36/51/490203651.db2.gz GOMYEXJGEBWKMP-GARJFASQSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000566198901 490203670 /nfs/dbraw/zinc/20/36/70/490203670.db2.gz GOMYEXJGEBWKMP-HBNTYKKESA-N 2 0 225.336 0.100 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000078712098 490220170 /nfs/dbraw/zinc/22/01/70/490220170.db2.gz BZWCGJHCAHWQJR-LBPRGKRZSA-N 2 0 241.379 0.879 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000070941763 490250627 /nfs/dbraw/zinc/25/06/27/490250627.db2.gz QZJJEUNFTYMBBX-OLZOCXBDSA-N 2 0 241.379 0.391 20 0 BCADRP C[C@@H](C(=O)NCC(C)(C)[NH+](C)C)[NH+](C)C ZINC000078654271 490334472 /nfs/dbraw/zinc/33/44/72/490334472.db2.gz ZYZANPJLXODORP-VIFPVBQESA-N 2 0 215.341 0.393 20 0 BCADRP CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086402905 490414396 /nfs/dbraw/zinc/41/43/96/490414396.db2.gz IRKANKYIBYFUJH-LPEHRKFASA-N 2 0 213.325 0.371 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCCCCC1 ZINC000126354168 490491669 /nfs/dbraw/zinc/49/16/69/490491669.db2.gz HFSXAIFPNUDEKD-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H]1OCC[C@@]1(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300424660 490561512 /nfs/dbraw/zinc/56/15/12/490561512.db2.gz ZELUUIXCHOTXIG-YVECIDJPSA-N 2 0 242.363 0.599 20 0 BCADRP C[C@H]1OCC[C@@]1(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300424657 490561648 /nfs/dbraw/zinc/56/16/48/490561648.db2.gz ZELUUIXCHOTXIG-FDYHWXHSSA-N 2 0 242.363 0.599 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000129085979 490600020 /nfs/dbraw/zinc/60/00/20/490600020.db2.gz CFWLOFHQSLGMMN-AEJSXWLSSA-N 2 0 213.325 0.310 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000129086622 490600147 /nfs/dbraw/zinc/60/01/47/490600147.db2.gz CFWLOFHQSLGMMN-OPRDCNLKSA-N 2 0 213.325 0.310 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000081000493 490669431 /nfs/dbraw/zinc/66/94/31/490669431.db2.gz JFNPHYZHGMDNNK-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[NH2+]CC1(C)C ZINC000309796026 491076951 /nfs/dbraw/zinc/07/69/51/491076951.db2.gz QDUSUPAVXDIIFN-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H](C(=O)NC[C@H]1CCCC[NH2+]1)[C@H](C)[NH3+] ZINC000309795187 491076994 /nfs/dbraw/zinc/07/69/94/491076994.db2.gz PZVZWYSTJVSWEE-KXUCPTDWSA-N 2 0 213.325 0.228 20 0 BCADRP CN1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H](C[NH3+])C1 ZINC000662430555 491100925 /nfs/dbraw/zinc/10/09/25/491100925.db2.gz ZXQUYAWYGYMCHF-QCNOEVLYSA-N 2 0 237.347 0.134 20 0 BCADRP COCCCOCC[N@H+](C)CCC[NH3+] ZINC000232212992 491123960 /nfs/dbraw/zinc/12/39/60/491123960.db2.gz CJVDKWBYNSKEHR-UHFFFAOYSA-N 2 0 204.314 0.320 20 0 BCADRP [NH3+]CC1(CCNC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000653215933 491128255 /nfs/dbraw/zinc/12/82/55/491128255.db2.gz JSXBSDJGRVMZIP-SNVBAGLBSA-N 2 0 225.336 0.231 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000131910932 491133832 /nfs/dbraw/zinc/13/38/32/491133832.db2.gz VQPWLJIJJKBOHI-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP C(CC[NH+]1CCOCC1)C[NH2+]C1CSC1 ZINC000308807715 491138286 /nfs/dbraw/zinc/13/82/86/491138286.db2.gz BIGZNPLKAHNWEB-UHFFFAOYSA-N 2 0 230.377 0.804 20 0 BCADRP COC(=O)N1CC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000497087372 533934940 /nfs/dbraw/zinc/93/49/40/533934940.db2.gz CVYXVFYXMLASSH-KOLCDFICSA-N 2 0 241.335 0.544 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494661422 534122929 /nfs/dbraw/zinc/12/29/29/534122929.db2.gz MQRHKLIWIGKLJC-SDDRHHMPSA-N 2 0 239.363 0.775 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342606390 535953062 /nfs/dbraw/zinc/95/30/62/535953062.db2.gz LOWUMPTZVVQZEC-GMXVVIOVSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000253284920 535994481 /nfs/dbraw/zinc/99/44/81/535994481.db2.gz NGZLZRVQBVTSHD-VWYCJHECSA-N 2 0 200.326 0.687 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)NCCC(C)(C)[NH3+] ZINC000891988701 582753889 /nfs/dbraw/zinc/75/38/89/582753889.db2.gz SQQZLROEHPTHEM-UHFFFAOYSA-N 2 0 244.383 0.801 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000232916878 517506862 /nfs/dbraw/zinc/50/68/62/517506862.db2.gz PSZYOKUXYHZDDU-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891997031 582757345 /nfs/dbraw/zinc/75/73/45/582757345.db2.gz QILUSLVYZQUOFW-CMPLNLGQSA-N 2 0 240.351 0.180 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H](C)[NH2+]CC ZINC000449502834 517590246 /nfs/dbraw/zinc/59/02/46/517590246.db2.gz RYOSPRJKIVODAX-ZJUUUORDSA-N 2 0 215.341 0.489 20 0 BCADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[NH2+]2)[C@H](C)C[NH2+]1 ZINC000494704792 534302874 /nfs/dbraw/zinc/30/28/74/534302874.db2.gz UCMIIZAYEIIDEK-IJLUTSLNSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000892017153 582761515 /nfs/dbraw/zinc/76/15/15/582761515.db2.gz RXWUCVVLFKJDQR-SECBINFHSA-N 2 0 228.340 0.165 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC000892097727 582790950 /nfs/dbraw/zinc/79/09/50/582790950.db2.gz QJYKUPWJXQOYNC-OUAUKWLOSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892142535 582799993 /nfs/dbraw/zinc/79/99/93/582799993.db2.gz VENNVVHMNNBJBX-GUBZILKMSA-N 2 0 228.340 0.150 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892142538 582800107 /nfs/dbraw/zinc/80/01/07/582800107.db2.gz VENNVVHMNNBJBX-LPEHRKFASA-N 2 0 228.340 0.150 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000892147832 582801118 /nfs/dbraw/zinc/80/11/18/582801118.db2.gz WZFXSJCQAAOHFF-UWVGGRQHSA-N 2 0 242.367 0.458 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCCCCC[NH3+] ZINC000892208184 582807725 /nfs/dbraw/zinc/80/77/25/582807725.db2.gz OVLWUCUGWUVAEH-GHMZBOCLSA-N 2 0 242.367 0.637 20 0 BCADRP CC(C)[C@H](C(=O)NCC[C@H](C)[NH3+])[NH+](C)C ZINC000262543900 534898397 /nfs/dbraw/zinc/89/83/97/534898397.db2.gz YFDFDBCMHPWVHK-VHSXEESVSA-N 2 0 215.341 0.426 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000159106845 536454047 /nfs/dbraw/zinc/45/40/47/536454047.db2.gz QUNPQWYMFJZIOM-JQWIXIFHSA-N 2 0 243.326 0.146 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000237192729 536454115 /nfs/dbraw/zinc/45/41/15/536454115.db2.gz ZDIXTVKLIHXRLS-WCQYABFASA-N 2 0 239.363 0.444 20 0 BCADRP COCCC[N@H+](C)CCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000192120250 536506637 /nfs/dbraw/zinc/50/66/37/536506637.db2.gz KSANWLZMZJMFJR-MNOVXSKESA-N 2 0 245.367 0.054 20 0 BCADRP COCCOCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250170117 536516899 /nfs/dbraw/zinc/51/68/99/536516899.db2.gz MGHHBVXEQZZEFE-STQMWFEESA-N 2 0 242.363 0.866 20 0 BCADRP COC[C@@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261580062 536525311 /nfs/dbraw/zinc/52/53/11/536525311.db2.gz MQECEAWOBAGWHX-VXGBXAGGSA-N 2 0 227.352 0.001 20 0 BCADRP C[C@H]1CN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C[NH2+]1 ZINC000892568478 582915798 /nfs/dbraw/zinc/91/57/98/582915798.db2.gz UFIQUWKVKVZHSI-NAKRPEOUSA-N 2 0 240.351 0.116 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H](C)[C@@H](C)[NH3+])C(C)C ZINC000493888494 528500112 /nfs/dbraw/zinc/50/01/12/528500112.db2.gz NKFORGRJAUHWLJ-WDEREUQCSA-N 2 0 229.368 0.816 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H](C)[C@@H](C)[NH3+])C(C)C ZINC000493888491 528500574 /nfs/dbraw/zinc/50/05/74/528500574.db2.gz NKFORGRJAUHWLJ-GHMZBOCLSA-N 2 0 229.368 0.816 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000414771076 528553832 /nfs/dbraw/zinc/55/38/32/528553832.db2.gz PBJNGBBOGCQLTK-AVGNSLFASA-N 2 0 225.380 0.901 20 0 BCADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)/C=C/C[NH+](C)C ZINC000493654557 528823817 /nfs/dbraw/zinc/82/38/17/528823817.db2.gz ZXZGCWQEHJCURC-ABZNLYFFSA-N 2 0 241.379 0.949 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000494872674 528970064 /nfs/dbraw/zinc/97/00/64/528970064.db2.gz HDJMSUZWDAPDNN-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP CC[N@@H+]1CCN(C(=O)/C=C/C[NH+](C)C)[C@@H](C)C1 ZINC000492808030 529109004 /nfs/dbraw/zinc/10/90/04/529109004.db2.gz ZDAOFVYGRLKDEF-SYTKJHMZSA-N 2 0 239.363 0.657 20 0 BCADRP CC[C@H](CCO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400362176 529332511 /nfs/dbraw/zinc/33/25/11/529332511.db2.gz CKVZXLDUCRGGOK-MXWKQRLJSA-N 2 0 200.326 0.878 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC1([NH3+])CCC1 ZINC000261586705 534998726 /nfs/dbraw/zinc/99/87/26/534998726.db2.gz RJCLVJQSVYKLMN-UHFFFAOYSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217805690 535058379 /nfs/dbraw/zinc/05/83/79/535058379.db2.gz ZAMSGQAZDDQKKC-WOPDTQHZSA-N 2 0 239.363 0.713 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000154225392 535170594 /nfs/dbraw/zinc/17/05/94/535170594.db2.gz AXHICYAFNHFONO-SNVBAGLBSA-N 2 0 213.325 0.102 20 0 BCADRP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000262637741 535130902 /nfs/dbraw/zinc/13/09/02/535130902.db2.gz QPKKDBWWTZNWSJ-MNOVXSKESA-N 2 0 227.352 0.393 20 0 BCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C)[NH3+])C1 ZINC000261869165 535135383 /nfs/dbraw/zinc/13/53/83/535135383.db2.gz QIEXGJJUAGSVNN-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[NH3+])C1 ZINC000168722846 535139275 /nfs/dbraw/zinc/13/92/75/535139275.db2.gz CLLDMTVQIPSRJG-WDEREUQCSA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000347659058 535149450 /nfs/dbraw/zinc/14/94/50/535149450.db2.gz RGTDEHPZSSCMAR-SNVBAGLBSA-N 2 0 227.352 0.570 20 0 BCADRP CCCN(C(=O)CCC[NH2+]C)[C@@H]1CC[NH2+]C1 ZINC000178891895 535200651 /nfs/dbraw/zinc/20/06/51/535200651.db2.gz GBUGZFZDFISBDM-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP CC(C)([NH3+])CNC(=O)C1([NH3+])CCCCC1 ZINC000261567012 535200595 /nfs/dbraw/zinc/20/05/95/535200595.db2.gz DTUIDYYGPHCXIZ-UHFFFAOYSA-N 2 0 213.325 0.502 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263254406 535206882 /nfs/dbraw/zinc/20/68/82/535206882.db2.gz QJJNENMXJTZIBR-BXKDBHETSA-N 2 0 227.352 0.748 20 0 BCADRP CCCN(C(=O)[C@@H](C)C[NH3+])[C@@H]1CC[NH2+]C1 ZINC000261565206 535230101 /nfs/dbraw/zinc/23/01/01/535230101.db2.gz CXUIFOQZGQMCFZ-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000178834608 535260438 /nfs/dbraw/zinc/26/04/38/535260438.db2.gz PANRKCKJPVFITN-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)(O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000261559368 535303629 /nfs/dbraw/zinc/30/36/29/535303629.db2.gz YYWGVGPTDVCNRV-UHFFFAOYSA-N 2 0 212.337 0.833 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)C2C[NH2+]C2)CC1 ZINC000084409095 535456073 /nfs/dbraw/zinc/45/60/73/535456073.db2.gz UNVXHBZHRJRQLF-UHFFFAOYSA-N 2 0 225.336 0.149 20 0 BCADRP CC[NH2+]CCNC(=O)CC1CC[NH2+]CC1 ZINC000236891757 535465454 /nfs/dbraw/zinc/46/54/54/535465454.db2.gz RTCILHCGYISERF-UHFFFAOYSA-N 2 0 213.325 0.102 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000335402010 535475024 /nfs/dbraw/zinc/47/50/24/535475024.db2.gz WZNSVXWRGSLFQE-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000335390533 535495214 /nfs/dbraw/zinc/49/52/14/535495214.db2.gz PMNYNSJBEIBSLH-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP CCOC(=O)CC[N@H+](C)CCC[NH2+]C ZINC000087472022 535643142 /nfs/dbraw/zinc/64/31/42/535643142.db2.gz VYQNGRQYXYFZOB-UHFFFAOYSA-N 2 0 202.298 0.481 20 0 BCADRP CC[NH+](CC)[C@H](CNC(=O)C[NH3+])CC(C)C ZINC000164410039 535670644 /nfs/dbraw/zinc/67/06/44/535670644.db2.gz RIQSNMYMNSCQJS-NSHDSACASA-N 2 0 229.368 0.818 20 0 BCADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000068940309 535831255 /nfs/dbraw/zinc/83/12/55/535831255.db2.gz QEJZVZMGWJENNB-LLVKDONJSA-N 2 0 248.392 0.495 20 0 BCADRP CC[C@]1(C(=O)N[C@@H](C)CC[NH+](C)C)CC[NH2+]C1 ZINC000062901832 535880282 /nfs/dbraw/zinc/88/02/82/535880282.db2.gz BTLFTYIIAQBXIR-AAEUAGOBSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351769724 535952268 /nfs/dbraw/zinc/95/22/68/535952268.db2.gz LFMOBWAIINOQMC-VLEAKVRGSA-N 2 0 227.352 0.556 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261579554 535953564 /nfs/dbraw/zinc/95/35/64/535953564.db2.gz MHNNQBSOKFTUEP-HGNGGELXSA-N 2 0 213.325 0.213 20 0 BCADRP CN(C(=O)C1([NH3+])CCCCC1)[C@H]1CC[NH2+]C1 ZINC000262423192 535960814 /nfs/dbraw/zinc/96/08/14/535960814.db2.gz GLYHEDVIVUUJOO-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000261539373 536139020 /nfs/dbraw/zinc/13/90/20/536139020.db2.gz CFWLOFHQSLGMMN-KXUCPTDWSA-N 2 0 213.325 0.310 20 0 BCADRP CC[C@H]1C[N@H+](CCOCC[NH3+])C[C@H](C)O1 ZINC000261569156 536150827 /nfs/dbraw/zinc/15/08/27/536150827.db2.gz GFDYYSYAMMNMKT-QWRGUYRKSA-N 2 0 216.325 0.461 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000258657947 536372849 /nfs/dbraw/zinc/37/28/49/536372849.db2.gz SKMCYAZBDLNUEX-GHMZBOCLSA-N 2 0 240.351 0.132 20 0 BCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH3+])CC[C@@H]21 ZINC000167532482 536376937 /nfs/dbraw/zinc/37/69/37/536376937.db2.gz AOQZKPSHHJVBRD-MNOVXSKESA-N 2 0 239.363 0.666 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@](C)(O)C1 ZINC000179253060 536389719 /nfs/dbraw/zinc/38/97/19/536389719.db2.gz OJOGVSLPJXVTRZ-NWDGAFQWSA-N 2 0 212.337 0.927 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000261534534 536391161 /nfs/dbraw/zinc/39/11/61/536391161.db2.gz RVQQMYVYWKRONE-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]CC1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000178408940 536442638 /nfs/dbraw/zinc/44/26/38/536442638.db2.gz QEDKXKZHVIOYAJ-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C[C@]1(C)CC[NH2+]C1 ZINC000261553441 536458545 /nfs/dbraw/zinc/45/85/45/536458545.db2.gz SLRNMHPPHKLKEH-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC000333498285 537995066 /nfs/dbraw/zinc/99/50/66/537995066.db2.gz FBRKREDIHAGJSP-VWYCJHECSA-N 2 0 240.351 0.130 20 0 BCADRP CC[C@@H](C)NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000111612025 566294973 /nfs/dbraw/zinc/29/49/73/566294973.db2.gz QMHJKGCSIZFWLQ-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000562977543 566330760 /nfs/dbraw/zinc/33/07/60/566330760.db2.gz FZGWZMVMLHWQAV-QWRGUYRKSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000289300096 566383795 /nfs/dbraw/zinc/38/37/95/566383795.db2.gz RZEYPEPDJJOOSS-RTXFEEFZSA-N 2 0 247.342 0.677 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCC(C)(C)[NH3+])C1 ZINC000892851190 582995992 /nfs/dbraw/zinc/99/59/92/582995992.db2.gz QRJCNKDYQDZGKL-UWVGGRQHSA-N 2 0 242.367 0.493 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)NCCC(C)(C)[NH3+] ZINC000892849863 582996360 /nfs/dbraw/zinc/99/63/60/582996360.db2.gz GQEXTIYUVCFHMP-UHFFFAOYSA-N 2 0 244.383 0.740 20 0 BCADRP CCC1([NH3+])CCN(C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000892932734 583011843 /nfs/dbraw/zinc/01/18/43/583011843.db2.gz AGXNROAOIDOYKC-JTQLQIEISA-N 2 0 240.351 0.343 20 0 BCADRP Cc1cc(N)nc(NC[C@@](C)(O)C[NH+](C)C)[nH+]1 ZINC000892954764 583019620 /nfs/dbraw/zinc/01/96/20/583019620.db2.gz BZEYLXWZAHUZNY-LLVKDONJSA-N 2 0 239.323 0.092 20 0 BCADRP [NH3+]CCc1ccc(C[NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000853245701 588728424 /nfs/dbraw/zinc/72/84/24/588728424.db2.gz BRCJQAIVUWHSLB-HUUCEWRRSA-N 3 0 245.370 0.887 20 0 BCADRP [NH3+]C1CCC([NH2+]C[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC000853246646 588728639 /nfs/dbraw/zinc/72/86/39/588728639.db2.gz OTTCGAAMSGFZGV-WNYYMSAVSA-N 3 0 209.337 0.455 20 0 BCADRP [NH3+]CCCCCC[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC000853247025 588729180 /nfs/dbraw/zinc/72/91/80/588729180.db2.gz ZNRQRZPGZJALAN-RYUDHWBXSA-N 3 0 211.353 0.705 20 0 BCADRP COC(=O)N(C)CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000854226156 588780666 /nfs/dbraw/zinc/78/06/66/588780666.db2.gz CZKHAWQTXOZAJA-QWRGUYRKSA-N 2 0 243.351 0.934 20 0 BCADRP CC(C)NC(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112801275 588817319 /nfs/dbraw/zinc/81/73/19/588817319.db2.gz RSNXHFVXUAIZOL-GHMZBOCLSA-N 2 0 240.351 0.372 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000144977113 582576764 /nfs/dbraw/zinc/57/67/64/582576764.db2.gz HNSYLYCEDXELFN-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP C[N@H+](CCNC(=O)NCCC(C)(C)[NH3+])C1CC1 ZINC000891545426 582695788 /nfs/dbraw/zinc/69/57/88/582695788.db2.gz JLQBVOLZIHFCJN-UHFFFAOYSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000891970031 582749592 /nfs/dbraw/zinc/74/95/92/582749592.db2.gz BPFLKTPFPDXZBK-OUAUKWLOSA-N 2 0 240.351 0.260 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000891972302 582750102 /nfs/dbraw/zinc/75/01/02/582750102.db2.gz CSANPLYLAYYNCL-SNVBAGLBSA-N 2 0 242.367 0.555 20 0 BCADRP C[NH+](C)C1(C)CCC(NC(=O)NCC[NH3+])CC1 ZINC000891976960 582751075 /nfs/dbraw/zinc/75/10/75/582751075.db2.gz ROOUCUFQSLRWCL-UHFFFAOYSA-N 2 0 242.367 0.507 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCCC[NH3+])CC[C@H]21 ZINC000891985790 582753983 /nfs/dbraw/zinc/75/39/83/582753983.db2.gz KBVLVSZMSZCTDT-WDEREUQCSA-N 2 0 240.351 0.071 20 0 BCADRP C[NH2+]CCNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891992591 582755787 /nfs/dbraw/zinc/75/57/87/582755787.db2.gz LVKZABDFLVBELC-JGPRNRPPSA-N 2 0 240.351 0.036 20 0 BCADRP CC[NH2+]CCNC(=O)NCCC(C)(C)[NH3+] ZINC000891996209 582757048 /nfs/dbraw/zinc/75/70/48/582757048.db2.gz ZXNLLNNXNPPFGC-UHFFFAOYSA-N 2 0 216.329 0.023 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892020507 582763450 /nfs/dbraw/zinc/76/34/50/582763450.db2.gz XLWLAJDNQZFWKX-KXUCPTDWSA-N 2 0 228.340 0.006 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NC1CCC([NH3+])CC1 ZINC000892022895 582763451 /nfs/dbraw/zinc/76/34/51/582763451.db2.gz FNXYTIWUMVFOIZ-UHFFFAOYSA-N 2 0 242.367 0.683 20 0 BCADRP C[C@H](CNc1cc[nH+]cc1CO)[NH+](C)C ZINC000892027753 582765675 /nfs/dbraw/zinc/76/56/75/582765675.db2.gz IZAZAWFSPGEXHK-SECBINFHSA-N 2 0 209.293 0.358 20 0 BCADRP [NH3+]CC1(NC(=O)NCC2C[NH2+]C2)CCCCC1 ZINC000892049111 582774091 /nfs/dbraw/zinc/77/40/91/582774091.db2.gz RECQTEUUVVMQEG-UHFFFAOYSA-N 2 0 240.351 0.167 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N(C)CCCCCC[NH3+] ZINC000892054047 582777181 /nfs/dbraw/zinc/77/71/81/582777181.db2.gz PWSQAFNCTQCFJP-NSHDSACASA-N 2 0 244.383 0.884 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000892062498 582780891 /nfs/dbraw/zinc/78/08/91/582780891.db2.gz CUMHLQGQMJLGDI-SNVBAGLBSA-N 2 0 242.367 0.637 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892078156 582786873 /nfs/dbraw/zinc/78/68/73/582786873.db2.gz MXIITSVYEQVZPG-XWLWVQCSSA-N 2 0 240.351 0.021 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892091227 582788990 /nfs/dbraw/zinc/78/89/90/582788990.db2.gz DHOGGEMRKGTRCC-CHWFTXMASA-N 2 0 240.351 0.021 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892090140 582789073 /nfs/dbraw/zinc/78/90/73/582789073.db2.gz DPNJCGCJFAPJHH-AXFHLTTASA-N 2 0 240.351 0.117 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000892089545 582789097 /nfs/dbraw/zinc/78/90/97/582789097.db2.gz RQNGIXLRZABCHU-VLEAKVRGSA-N 2 0 238.335 0.012 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N1CC[NH2+]CCC12CCC2 ZINC000892104062 582791559 /nfs/dbraw/zinc/79/15/59/582791559.db2.gz VJQFGBGRMMTOOS-JTQLQIEISA-N 2 0 240.351 0.261 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000892104631 582792689 /nfs/dbraw/zinc/79/26/89/582792689.db2.gz YSDXIZJCXPCNTC-SNVBAGLBSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000892139898 582798502 /nfs/dbraw/zinc/79/85/02/582798502.db2.gz UQGOBURQPUBHHX-UTLUCORTSA-N 2 0 228.340 0.245 20 0 BCADRP CCN(C(=O)N[C@H](C)CCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000892141450 582799459 /nfs/dbraw/zinc/79/94/59/582799459.db2.gz OGDXRNJOWFDDRM-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892142534 582800236 /nfs/dbraw/zinc/80/02/36/582800236.db2.gz VENNVVHMNNBJBX-BBBLOLIVSA-N 2 0 228.340 0.150 20 0 BCADRP C[C@@H](NC(=O)NCCC(C)(C)[NH3+])[C@H](C)[NH3+] ZINC000892146168 582800688 /nfs/dbraw/zinc/80/06/88/582800688.db2.gz NLXQBKLEWIVDRC-JGVFFNPUSA-N 2 0 216.329 0.149 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000892175633 582805152 /nfs/dbraw/zinc/80/51/52/582805152.db2.gz MMPGRMRBUCZDAM-ZJUUUORDSA-N 2 0 242.367 0.540 20 0 BCADRP [NH3+]CC1(CCNC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000892220228 582808980 /nfs/dbraw/zinc/80/89/80/582808980.db2.gz FGUUYISPAVDSCO-MGCOHNPYSA-N 2 0 240.351 0.152 20 0 BCADRP CCNC(=[NH2+])NCC[N@@H+]1CCCC[C@H]1C ZINC000848987472 582818224 /nfs/dbraw/zinc/81/82/24/582818224.db2.gz AAANMCQFSRCXMH-SNVBAGLBSA-N 2 0 212.341 0.995 20 0 BCADRP CC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@H+](C)CCN1C ZINC000849008213 582823155 /nfs/dbraw/zinc/82/31/55/582823155.db2.gz YQFOVCDJYOHUEO-WDEREUQCSA-N 2 0 241.383 0.145 20 0 BCADRP C[NH+](C)[C@H](CNc1cc[nH+]cc1CO)C1CC1 ZINC000892345020 582863595 /nfs/dbraw/zinc/86/35/95/582863595.db2.gz ISJSYXLZTBDISZ-CYBMUJFWSA-N 2 0 235.331 0.748 20 0 BCADRP COCCOC[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000892429844 582885596 /nfs/dbraw/zinc/88/55/96/582885596.db2.gz RWTKRSKYFYNWCA-LLVKDONJSA-N 2 0 218.341 0.579 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892546944 582909866 /nfs/dbraw/zinc/90/98/66/582909866.db2.gz OTSVPSSKDGUSPB-OUAUKWLOSA-N 2 0 240.351 0.247 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@H]1C ZINC000892568526 582915280 /nfs/dbraw/zinc/91/52/80/582915280.db2.gz VOBARFZEAFFASN-LMLFDSFASA-N 2 0 240.351 0.116 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCC(C)(C)[NH3+] ZINC000892846150 582995204 /nfs/dbraw/zinc/99/52/04/582995204.db2.gz JVDUHQQQXRGOLU-IUCAKERBSA-N 2 0 228.340 0.245 20 0 BCADRP C[C@@H]1CN(C(=O)NCCC(C)(C)[NH3+])CC[NH2+]1 ZINC000892850783 582996074 /nfs/dbraw/zinc/99/60/74/582996074.db2.gz NODLYSQWNJLGIJ-SECBINFHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C=C1CC[NH2+]CC1 ZINC000852876859 583021197 /nfs/dbraw/zinc/02/11/97/583021197.db2.gz VQNPYMCDECLINT-ZYHUDNBSSA-N 2 0 237.347 0.410 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C=C1CC[NH2+]CC1 ZINC000852876858 583021389 /nfs/dbraw/zinc/02/13/89/583021389.db2.gz VQNPYMCDECLINT-PWSUYJOCSA-N 2 0 237.347 0.410 20 0 BCADRP COC[C@](C)(CCO)[NH2+]CC1CC[NH+](C)CC1 ZINC000893102424 583049696 /nfs/dbraw/zinc/04/96/96/583049696.db2.gz UZMWKQPSMXCXQS-ZDUSSCGKSA-N 2 0 244.379 0.705 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000857113149 583133593 /nfs/dbraw/zinc/13/35/93/583133593.db2.gz OCPSDPLYUIJEMS-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP CCn1ncc(C[NH+]2CCC3(CC[NH2+]C3)CC2)n1 ZINC000857085702 588886548 /nfs/dbraw/zinc/88/65/48/588886548.db2.gz GKQQFBUGSICVJD-UHFFFAOYSA-N 2 0 249.362 0.874 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000857103426 588887730 /nfs/dbraw/zinc/88/77/30/588887730.db2.gz IGPGWANSMUEEAY-LPEHRKFASA-N 2 0 228.340 0.163 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NCC[C@H](C)[NH3+] ZINC000857104096 588887750 /nfs/dbraw/zinc/88/77/50/588887750.db2.gz QCTGTTNDNGDQOF-DTWKUNHWSA-N 2 0 216.329 0.021 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NC1CCC([NH3+])CC1 ZINC000857103110 588887971 /nfs/dbraw/zinc/88/79/71/588887971.db2.gz BVSXUVNXIXKSBY-IDKOKCKLSA-N 2 0 228.340 0.293 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000857103425 588888004 /nfs/dbraw/zinc/88/80/04/588888004.db2.gz IGPGWANSMUEEAY-IVZWLZJFSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)NCC[C@H](C)[NH3+] ZINC000857104905 588888070 /nfs/dbraw/zinc/88/80/70/588888070.db2.gz ZVENFWKBPYVUGT-DTWKUNHWSA-N 2 0 216.329 0.150 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000857107176 588888160 /nfs/dbraw/zinc/88/81/60/588888160.db2.gz NPDVEPCWKYVNOL-ONGXEEELSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CCC(C)([NH3+])CC1 ZINC000857106951 588888322 /nfs/dbraw/zinc/88/83/22/588888322.db2.gz GJRONZIBPPPIFQ-VIFPVBQESA-N 2 0 228.340 0.247 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC[C@H](C)[NH3+] ZINC000857107475 588888446 /nfs/dbraw/zinc/88/84/46/588888446.db2.gz WLNAPFHGCBEDOA-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)NCC[C@H](C)[NH3+])C1 ZINC000857107347 588888648 /nfs/dbraw/zinc/88/86/48/588888648.db2.gz RYKWTMCKMSNDRW-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP CCCN(C(=O)NCC[C@H](C)[NH3+])[C@@H]1CC[NH2+]C1 ZINC000857107567 588888660 /nfs/dbraw/zinc/88/86/60/588888660.db2.gz ZFZPLAUTHJHNQG-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCC[C@H](C)[NH3+])C1 ZINC000857107521 588888717 /nfs/dbraw/zinc/88/87/17/588888717.db2.gz XQKRMOKKNJUFQM-AXFHLTTASA-N 2 0 242.367 0.493 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3C[C@H]([NH3+])C3)CC[C@H]21 ZINC000877250380 583304836 /nfs/dbraw/zinc/30/48/36/583304836.db2.gz PNHQDZOKQAUEJF-FIQHERPVSA-N 2 0 237.347 0.276 20 0 BCADRP C[NH+](C)C1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC000857229474 588897137 /nfs/dbraw/zinc/89/71/37/588897137.db2.gz UMEUINNDIYDXOA-UHFFFAOYSA-N 2 0 239.363 0.537 20 0 BCADRP CCC[N@H+](C)CC(=O)NC1CC([NH+](C)C)C1 ZINC000857230551 588897198 /nfs/dbraw/zinc/89/71/98/588897198.db2.gz JMCLXPLUXOPGHD-UHFFFAOYSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCC[NH2+]CC1 ZINC000333735184 583439039 /nfs/dbraw/zinc/43/90/39/583439039.db2.gz WUWOQYUOIDOJMP-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C1([NH+](C)C)CC1 ZINC000668011426 583445614 /nfs/dbraw/zinc/44/56/14/583445614.db2.gz APYBLEXNEXEVNA-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H](CCO)[NH2+]C[C@@H]1CCCN1CCCO ZINC000894667718 583501901 /nfs/dbraw/zinc/50/19/01/583501901.db2.gz KJQGIZBTGDWDTM-RYUDHWBXSA-N 2 0 230.352 0.194 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000894737680 583514835 /nfs/dbraw/zinc/51/48/35/583514835.db2.gz CSXUYQXKBBGORZ-LLVKDONJSA-N 2 0 225.336 0.278 20 0 BCADRP CCO[C@@H]1COC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000894774224 583517786 /nfs/dbraw/zinc/51/77/86/583517786.db2.gz QITQBVOAMFSHOM-CHWSQXEVSA-N 2 0 242.363 0.722 20 0 BCADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2COCO2)CC1 ZINC000894876462 583540811 /nfs/dbraw/zinc/54/08/11/583540811.db2.gz SQJQRWNYLGYKGZ-GFCCVEGCSA-N 2 0 228.336 0.822 20 0 BCADRP COC[C@H]1C[C@@H](O)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000895154274 583607197 /nfs/dbraw/zinc/60/71/97/583607197.db2.gz WEHYUDIIYHJWMW-CHWSQXEVSA-N 2 0 242.363 0.410 20 0 BCADRP C[C@H](O)C1([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000895443685 583674307 /nfs/dbraw/zinc/67/43/07/583674307.db2.gz YAMJFCILQHIXPQ-JTQLQIEISA-N 2 0 212.337 0.831 20 0 BCADRP CON(C)C(=O)[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000895668219 583705536 /nfs/dbraw/zinc/70/55/36/583705536.db2.gz ZEKMBYUHKCYRFU-SNVBAGLBSA-N 2 0 243.351 0.326 20 0 BCADRP C[C@H]1[C@H](Nc2cc[nH+]cc2CO)CC[N@@H+]1C ZINC000895736253 583717875 /nfs/dbraw/zinc/71/78/75/583717875.db2.gz IRYMHTMHNILNMR-GXSJLCMTSA-N 2 0 221.304 0.500 20 0 BCADRP COC(=O)C1CC([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000895831131 583735209 /nfs/dbraw/zinc/73/52/09/583735209.db2.gz UTIRDBORDUIQKP-UHFFFAOYSA-N 2 0 240.347 0.869 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CCn2cncc21)[NH+](C)C ZINC000857979322 588925680 /nfs/dbraw/zinc/92/56/80/588925680.db2.gz AZHUSLARVBMUOZ-VHSXEESVSA-N 2 0 236.319 0.784 20 0 BCADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@@H]2C)[C@H]1OC ZINC000896555636 583812298 /nfs/dbraw/zinc/81/22/98/583812298.db2.gz QERNJNGMWKZSOL-KSSYENDESA-N 2 0 242.363 0.861 20 0 BCADRP c1ncc2c(n1)CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000883462560 583824696 /nfs/dbraw/zinc/82/46/96/583824696.db2.gz UFKXVERSYYSRFB-NSHDSACASA-N 2 0 232.331 0.834 20 0 BCADRP C[NH+]1CCC(C[NH2+]CC[C@H]2CNC(=O)C2)CC1 ZINC000896896185 583849003 /nfs/dbraw/zinc/84/90/03/583849003.db2.gz DHMSQESDUBLNFI-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870941730 583932050 /nfs/dbraw/zinc/93/20/50/583932050.db2.gz YZRCVAJRFXTUFK-KKOKHZNYSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H](CO)[NH+](C)CCCCC[N@@H+](C)[C@H](C)CO ZINC000342098124 583981270 /nfs/dbraw/zinc/98/12/70/583981270.db2.gz XZYIOYBJFKXKCP-CHWSQXEVSA-N 2 0 246.395 0.782 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)NCC[NH+](C)C ZINC000897491323 583995873 /nfs/dbraw/zinc/99/58/73/583995873.db2.gz UNCCPPQAIIHRJB-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCC[NH+](C)C ZINC000897491322 583995908 /nfs/dbraw/zinc/99/59/08/583995908.db2.gz UNCCPPQAIIHRJB-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP CC[NH+](CC)CCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864452423 584005309 /nfs/dbraw/zinc/00/53/09/584005309.db2.gz QAPMTMPGVAKSRN-ZJUUUORDSA-N 2 0 212.341 0.851 20 0 BCADRP O=C1OCC[C@H]1N1CCC[C@@H](n2ccnc2)C1 ZINC000729920207 584029810 /nfs/dbraw/zinc/02/98/10/584029810.db2.gz LDCGOSBDGAQRIZ-GHMZBOCLSA-N 2 0 235.287 0.836 20 0 BCADRP Cn1cnc(CCNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000897952598 584063506 /nfs/dbraw/zinc/06/35/06/584063506.db2.gz KARJMULFUUBXMO-NSHDSACASA-N 2 0 236.319 0.173 20 0 BCADRP C[C@H]1C[C@@H](C[N@@H+]2CCCNC(=O)C2)CC[NH2+]1 ZINC000873232238 584127780 /nfs/dbraw/zinc/12/77/80/584127780.db2.gz NPOMWAWMNPHZDG-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+][C@@H](CO)c1ccc(C=C2C[NH2+]C2)cc1 ZINC000899328005 584197916 /nfs/dbraw/zinc/19/79/16/584197916.db2.gz LBIQITAWLXOQGU-LBPRGKRZSA-N 2 0 204.273 0.665 20 0 BCADRP C[C@@H]([NH3+])Cn1cc([C@H]2CCCC[NH2+]2)nn1 ZINC000899724317 584229039 /nfs/dbraw/zinc/22/90/39/584229039.db2.gz MOHTZVBBZHWLKI-RKDXNWHRSA-N 2 0 209.297 0.440 20 0 BCADRP [NH3+]CCCc1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899740662 584233464 /nfs/dbraw/zinc/23/34/64/584233464.db2.gz JYHNKOZLWJFRLC-LLVKDONJSA-N 2 0 237.351 0.559 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C12CC[NH+](CC1)C2 ZINC000899965599 584261093 /nfs/dbraw/zinc/26/10/93/584261093.db2.gz YKYCNPAIIKDJNN-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+][C@@H](C)Cc1noc(CC(C)(C)C[NH3+])n1 ZINC000900010581 584265273 /nfs/dbraw/zinc/26/52/73/584265273.db2.gz UCQITLPRSSHPJV-QMMMGPOBSA-N 2 0 226.324 0.747 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)Cc1c[nH]cn1 ZINC000900694787 584339212 /nfs/dbraw/zinc/33/92/12/584339212.db2.gz JDTNQVVZJNESKO-JTQLQIEISA-N 2 0 238.335 0.799 20 0 BCADRP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902329161 584561547 /nfs/dbraw/zinc/56/15/47/584561547.db2.gz POTZKVDCRKHCOV-WDEREUQCSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H](CO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361240 584572257 /nfs/dbraw/zinc/57/22/57/584572257.db2.gz OXUYKRLBSYKCMA-NXEZZACHSA-N 2 0 200.326 0.735 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2C[C@@H](O)C2)C1 ZINC000902387325 584579152 /nfs/dbraw/zinc/57/91/52/584579152.db2.gz KDEHUPNCWXMRKO-GARJFASQSA-N 2 0 212.337 0.878 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2C[C@@H](O)C2)C1 ZINC000902387326 584579478 /nfs/dbraw/zinc/57/94/78/584579478.db2.gz KDEHUPNCWXMRKO-MXWKQRLJSA-N 2 0 212.337 0.878 20 0 BCADRP CC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C(=O)NC ZINC000902391545 584582224 /nfs/dbraw/zinc/58/22/24/584582224.db2.gz YJSBUXQXLUOYLS-QWRGUYRKSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H](C[NH3+])CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902393239 584583785 /nfs/dbraw/zinc/58/37/85/584583785.db2.gz NXECPNPGETYBMF-QWRGUYRKSA-N 2 0 213.369 0.949 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C1 ZINC000902397616 584585079 /nfs/dbraw/zinc/58/50/79/584585079.db2.gz NFVWQKDXLDLNNF-GMTAPVOTSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H](NCC1([NH3+])CC1)c1c[nH+]ccc1N ZINC000902403745 584587916 /nfs/dbraw/zinc/58/79/16/584587916.db2.gz AWSCMAAPMUKLAQ-MRVPVSSYSA-N 2 0 206.293 0.636 20 0 BCADRP CC(C)[NH+]1CCC(NCC2([NH3+])CC2)CC1 ZINC000902415774 584589645 /nfs/dbraw/zinc/58/96/45/584589645.db2.gz QPILZROEJLDDHA-UHFFFAOYSA-N 2 0 211.353 0.940 20 0 BCADRP C[C@@H]1C[C@@H](NCC2([NH3+])CC2)C[N@@H+]1C1CC1 ZINC000902415580 584589827 /nfs/dbraw/zinc/58/98/27/584589827.db2.gz JILNTKMGHPVPGA-NXEZZACHSA-N 2 0 209.337 0.693 20 0 BCADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCON ZINC000902417137 584591186 /nfs/dbraw/zinc/59/11/86/584591186.db2.gz XENOQVPLIGSHBD-VIFPVBQESA-N 2 0 238.335 0.780 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000902441671 584597673 /nfs/dbraw/zinc/59/76/73/584597673.db2.gz FVAXBOLSWVWWNB-AYLPWXGPSA-N 2 0 223.364 0.857 20 0 BCADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902441631 584597770 /nfs/dbraw/zinc/59/77/70/584597770.db2.gz FISDYYUULWIHAE-YFKTTZPYSA-N 2 0 241.379 0.326 20 0 BCADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902441622 584597858 /nfs/dbraw/zinc/59/78/58/584597858.db2.gz FISDYYUULWIHAE-BJDJZHNGSA-N 2 0 241.379 0.326 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000902441506 584597860 /nfs/dbraw/zinc/59/78/60/584597860.db2.gz DMELIQRMOQWSHN-MNOVXSKESA-N 2 0 211.353 0.716 20 0 BCADRP Cn1ccnc1[C@H](NCC1([NH3+])CC1)C1CC1 ZINC000902414584 584600123 /nfs/dbraw/zinc/60/01/23/584600123.db2.gz XVUFKPFYIMQIIK-SNVBAGLBSA-N 2 0 220.320 0.952 20 0 BCADRP C(N[C@H]1C[NH2+]CCOC1)[C@@H]1CCCCC[NH2+]1 ZINC000902477795 584603695 /nfs/dbraw/zinc/60/36/95/584603695.db2.gz SCFYEUMRKKNULY-RYUDHWBXSA-N 2 0 227.352 0.097 20 0 BCADRP C[C@@H]([NH2+]Cc1ccc2nonc2c1)C1C[NH2+]C1 ZINC000902453440 584608296 /nfs/dbraw/zinc/60/82/96/584608296.db2.gz CWDYCMBQEUOKGV-MRVPVSSYSA-N 2 0 232.287 0.920 20 0 BCADRP Cn1nnnc1CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000902458010 584610066 /nfs/dbraw/zinc/61/00/66/584610066.db2.gz WRHIPGLKOZSIQC-NXEZZACHSA-N 2 0 238.339 0.002 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]CCCc1nnnn1C ZINC000902460023 584610856 /nfs/dbraw/zinc/61/08/56/584610856.db2.gz FJTWRGQZOWKKHU-SNVBAGLBSA-N 2 0 240.355 0.250 20 0 BCADRP [NH3+][C@H]1C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C12CCC2 ZINC000902463219 584612043 /nfs/dbraw/zinc/61/20/43/584612043.db2.gz ZYPQELGXKVIKOB-MTVMDMGHSA-N 2 0 221.348 0.739 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902462675 584612070 /nfs/dbraw/zinc/61/20/70/584612070.db2.gz XIHSDMYJGSSYQQ-WRWGMCAJSA-N 3 0 211.353 0.986 20 0 BCADRP COC[C@@H](CCC[NH3+])N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902462633 584612206 /nfs/dbraw/zinc/61/22/06/584612206.db2.gz WLEXWXLZWBQQLX-IRCOFANPSA-N 2 0 227.352 0.223 20 0 BCADRP Cn1cnc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000902462641 584612336 /nfs/dbraw/zinc/61/23/36/584612336.db2.gz WQQCQJPRHSIWEB-QJPTWQEYSA-N 2 0 234.347 0.898 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902464649 584613159 /nfs/dbraw/zinc/61/31/59/584613159.db2.gz BCSLMKRCKRICPO-MTVMDMGHSA-N 2 0 209.337 0.609 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902465717 584613866 /nfs/dbraw/zinc/61/38/66/584613866.db2.gz IEBJETQWYGDTJQ-RMPHRYRLSA-N 2 0 209.337 0.467 20 0 BCADRP C[C@@H](C[C@H]1COCC[NH2+]1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466236 584614135 /nfs/dbraw/zinc/61/41/35/584614135.db2.gz KRVAHMLNPMXFBN-FPYNETTCSA-N 2 0 239.363 0.236 20 0 BCADRP CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000902466551 584614307 /nfs/dbraw/zinc/61/43/07/584614307.db2.gz LVIUPHCZGAVHED-NAWOPXAZSA-N 2 0 223.364 1.000 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902467648 584614574 /nfs/dbraw/zinc/61/45/74/584614574.db2.gz QJSIYTCAYOTOKK-NAWOPXAZSA-N 2 0 223.364 0.857 20 0 BCADRP C[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469396 584615902 /nfs/dbraw/zinc/61/59/02/584615902.db2.gz PXPGWJXIJJXXQR-PREPNJAASA-N 2 0 210.321 0.894 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902472123 584617560 /nfs/dbraw/zinc/61/75/60/584617560.db2.gz XHICOQLMJSCDQC-HGCLJGPKSA-N 2 0 209.337 0.419 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902472126 584617563 /nfs/dbraw/zinc/61/75/63/584617563.db2.gz XHICOQLMJSCDQC-ROHXPCBUSA-N 2 0 209.337 0.419 20 0 BCADRP O[C@H](CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC1 ZINC000902501417 584620945 /nfs/dbraw/zinc/62/09/45/584620945.db2.gz BACVHRIWVUHPQI-QEHJDLSMSA-N 2 0 236.359 0.733 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@H](O)C1CC1 ZINC000902506065 584621584 /nfs/dbraw/zinc/62/15/84/584621584.db2.gz WHPNALGOVNWXTO-RYUDHWBXSA-N 2 0 230.352 0.491 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@H](O)C1CC1 ZINC000902506621 584622096 /nfs/dbraw/zinc/62/20/96/584622096.db2.gz YSJXQLLDNDSLOY-QXEWZRGKSA-N 2 0 200.326 0.863 20 0 BCADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)C(C)(C)n1cncn1 ZINC000902484166 584624934 /nfs/dbraw/zinc/62/49/34/584624934.db2.gz FAZIJWGHWIFONZ-GMTAPVOTSA-N 2 0 237.351 0.729 20 0 BCADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cnn(C)c1 ZINC000902486710 584626006 /nfs/dbraw/zinc/62/60/06/584626006.db2.gz IELLNHKGMHLOMU-FXPVBKGRSA-N 2 0 208.309 0.808 20 0 BCADRP C1CC1[C@@H]1COC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000902519818 584631453 /nfs/dbraw/zinc/63/14/53/584631453.db2.gz MQXBKDORAOYYJT-NWDGAFQWSA-N 2 0 210.321 0.753 20 0 BCADRP C1CC1[C@H]1COC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000902519820 584631549 /nfs/dbraw/zinc/63/15/49/584631549.db2.gz MQXBKDORAOYYJT-VXGBXAGGSA-N 2 0 210.321 0.753 20 0 BCADRP CC(C)[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903435468 584762011 /nfs/dbraw/zinc/76/20/11/584762011.db2.gz VGEOYRWXEKEECS-GRYCIOLGSA-N 2 0 239.363 0.570 20 0 BCADRP NC(=O)C[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000903440392 584762987 /nfs/dbraw/zinc/76/29/87/584762987.db2.gz WKUYOSKTZUOKMY-SDDRHHMPSA-N 2 0 239.363 0.701 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCSC[C@@H]2CCO)C1 ZINC000903441445 584763902 /nfs/dbraw/zinc/76/39/02/584763902.db2.gz SGEXRTNSCPFDMA-TUAOUCFPSA-N 2 0 244.404 0.914 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCCC[C@H]1C[NH3+] ZINC000903421698 584763929 /nfs/dbraw/zinc/76/39/29/584763929.db2.gz RUTSTAXHPROYJS-WOPDTQHZSA-N 2 0 211.353 0.655 20 0 BCADRP C[NH2+]CC1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903423184 584764202 /nfs/dbraw/zinc/76/42/02/584764202.db2.gz PUFKHTVAVQENKQ-GFCCVEGCSA-N 2 0 211.353 0.670 20 0 BCADRP CN(C[C@H]1CCC[NH2+]1)[C@@H](C[NH3+])C(F)(F)F ZINC000903464447 584765156 /nfs/dbraw/zinc/76/51/56/584765156.db2.gz NVQGXHKQQXLEBJ-SFYZADRCSA-N 2 0 225.258 0.560 20 0 BCADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1(C(N)=O)CCCC1 ZINC000903457583 584765344 /nfs/dbraw/zinc/76/53/44/584765344.db2.gz XKXRDEGXUCCEHD-MNOVXSKESA-N 2 0 239.363 0.844 20 0 BCADRP [NH3+][C@@]12CCC[C@H]1CN(CCOC1CC1)C2 ZINC000903464205 584767478 /nfs/dbraw/zinc/76/74/78/584767478.db2.gz DFGKYCSDNMUSIQ-CMPLNLGQSA-N 2 0 210.321 0.979 20 0 BCADRP COCC[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903442655 584768141 /nfs/dbraw/zinc/76/81/41/584768141.db2.gz WMMIVGNEPHMEML-GFCCVEGCSA-N 2 0 227.352 0.002 20 0 BCADRP C([C@H]1CCC[NH2+]1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000903445979 584770325 /nfs/dbraw/zinc/77/03/25/584770325.db2.gz PYJCCKZUVKELLI-PWSUYJOCSA-N 2 0 209.337 0.565 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903447400 584770462 /nfs/dbraw/zinc/77/04/62/584770462.db2.gz QVDWSIQQDRUALE-RHYQMDGZSA-N 2 0 211.353 0.511 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C[C@H]1CCC[NH2+]1 ZINC000903447335 584770826 /nfs/dbraw/zinc/77/08/26/584770826.db2.gz ORWVRLLQCCNCHZ-VXGBXAGGSA-N 2 0 211.353 0.812 20 0 BCADRP c1cncc([C@H]2C[NH2+]CCN2C[C@H]2CCC[NH2+]2)c1 ZINC000903449454 584771199 /nfs/dbraw/zinc/77/11/99/584771199.db2.gz BFQQLXUMKZNOQV-ZIAGYGMSSA-N 2 0 246.358 0.780 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000903451698 584772300 /nfs/dbraw/zinc/77/23/00/584772300.db2.gz CLYHLUPXZUFDPX-HZSPNIEDSA-N 2 0 237.391 0.917 20 0 BCADRP COC(=O)[C@@H](C)C[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903454934 584773296 /nfs/dbraw/zinc/77/32/96/584773296.db2.gz OBMSDAYRMKKLGI-VWYCJHECSA-N 2 0 228.336 0.583 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H](C)[NH2+]C[C@H]1C ZINC000903454131 584773682 /nfs/dbraw/zinc/77/36/82/584773682.db2.gz VNVVFAMUOQMCNW-KXNHARMFSA-N 2 0 211.353 0.524 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000903475733 584776606 /nfs/dbraw/zinc/77/66/06/584776606.db2.gz BSRJCSYURJSEIR-MQYQWHSLSA-N 2 0 237.391 0.916 20 0 BCADRP C[N@@H+](Cc1ncc[nH]1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903476031 584776621 /nfs/dbraw/zinc/77/66/21/584776621.db2.gz LDIHAMOUOWONOA-ZJUUUORDSA-N 2 0 208.309 0.969 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903474905 584776713 /nfs/dbraw/zinc/77/67/13/584776713.db2.gz UCXSKIONPAEPGL-NEPJUHHUSA-N 3 0 229.368 0.282 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903474037 584776812 /nfs/dbraw/zinc/77/68/12/584776812.db2.gz GBFFKAWSJRCAHZ-NEPJUHHUSA-N 3 0 229.368 0.010 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000903476483 584777460 /nfs/dbraw/zinc/77/74/60/584777460.db2.gz YLWFAIFXGYAVCS-YNEHKIRRSA-N 2 0 223.364 0.812 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000903476482 584777512 /nfs/dbraw/zinc/77/75/12/584777512.db2.gz YLWFAIFXGYAVCS-XQQFMLRXSA-N 2 0 223.364 0.812 20 0 BCADRP CO[C@@H]1COCC[C@@H]1[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903481807 584777901 /nfs/dbraw/zinc/77/79/01/584777901.db2.gz NKMGCWZDCUAFJH-MROQNXINSA-N 2 0 242.363 0.578 20 0 BCADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H]1CC[NH3+] ZINC000903494313 584780954 /nfs/dbraw/zinc/78/09/54/584780954.db2.gz BSACYPOLHLXMEU-DGCLKSJQSA-N 3 0 225.380 0.903 20 0 BCADRP CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508608 584781092 /nfs/dbraw/zinc/78/10/92/584781092.db2.gz NXWOIDZRKUPVGW-BETUJISGSA-N 2 0 223.364 0.907 20 0 BCADRP C[NH2+]CCCN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903540886 584781652 /nfs/dbraw/zinc/78/16/52/584781652.db2.gz PRIHKYMEXZHLFW-BDAKNGLRSA-N 2 0 239.285 0.807 20 0 BCADRP C[NH2+]CCCN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903540888 584781722 /nfs/dbraw/zinc/78/17/22/584781722.db2.gz PRIHKYMEXZHLFW-IUCAKERBSA-N 2 0 239.285 0.807 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CCc1cnn(C)c1 ZINC000629569863 584781804 /nfs/dbraw/zinc/78/18/04/584781804.db2.gz GIMROXQJABDFAO-UHFFFAOYSA-N 2 0 240.351 0.130 20 0 BCADRP CN1CCC[C@@H](N2C[C@H]([NH3+])C(C)(C)C2)C1=O ZINC000903557834 584782771 /nfs/dbraw/zinc/78/27/71/584782771.db2.gz RYNJQPIQIJIPBX-ZJUUUORDSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H](CN1CCOCC1)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903558122 584783108 /nfs/dbraw/zinc/78/31/08/584783108.db2.gz VPHJNJHPSBBCFX-NEPJUHHUSA-N 2 0 241.379 0.376 20 0 BCADRP C[C@@](C[NH3+])(NC[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000903717337 584792309 /nfs/dbraw/zinc/79/23/09/584792309.db2.gz NSKYVOYPVSCGID-STQMWFEESA-N 2 0 241.379 0.160 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC[C@H](O)C[NH+]1CCCC1 ZINC000903718113 584792336 /nfs/dbraw/zinc/79/23/36/584792336.db2.gz ZVMOAAUFXVLCCA-QWHCGFSZSA-N 2 0 243.395 0.406 20 0 BCADRP CC[N@H+](CCCO)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903732594 584792898 /nfs/dbraw/zinc/79/28/98/584792898.db2.gz GRQJPWQFXKPTSR-CHWSQXEVSA-N 2 0 242.363 0.459 20 0 BCADRP CO[C@@H]1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903731791 584793141 /nfs/dbraw/zinc/79/31/41/584793141.db2.gz CRXQWCKDSUGDSR-AGIUHOORSA-N 2 0 240.347 0.476 20 0 BCADRP C[C@H](C[NH3+])N(C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903716218 584793981 /nfs/dbraw/zinc/79/39/81/584793981.db2.gz JRQSMPZFCKMACS-VXGBXAGGSA-N 2 0 241.379 0.424 20 0 BCADRP C[C@H]1CN(C[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000903715990 584794120 /nfs/dbraw/zinc/79/41/20/584794120.db2.gz DSMHQPIXCQJTIA-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]C[C@H]1CCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903715797 584794274 /nfs/dbraw/zinc/79/42/74/584794274.db2.gz ADUBNXSEPSDBBN-CHWSQXEVSA-N 2 0 225.380 0.917 20 0 BCADRP CN(C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H]1CC[NH2+]C1 ZINC000903715889 584794464 /nfs/dbraw/zinc/79/44/64/584794464.db2.gz BFFZDPONFUJSGD-FRRDWIJNSA-N 2 0 239.363 0.049 20 0 BCADRP FC(F)[C@@H]1C[NH2+]CCN1C[C@H]1CCCC[NH2+]C1 ZINC000903749640 584794736 /nfs/dbraw/zinc/79/47/36/584794736.db2.gz NNLGBBLDHVZZTR-QWRGUYRKSA-N 2 0 247.333 0.915 20 0 BCADRP CCn1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)nn1 ZINC000903749559 584794993 /nfs/dbraw/zinc/79/49/93/584794993.db2.gz LSADVPDOFVVARQ-UHFFFAOYSA-N 2 0 249.362 0.874 20 0 BCADRP C[C@H]1C[NH2+]CCN1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903744882 584796412 /nfs/dbraw/zinc/79/64/12/584796412.db2.gz YLZXNIAFYFZMCF-YNEHKIRRSA-N 2 0 239.363 0.049 20 0 BCADRP CN(CC[NH3+])C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903760024 584796847 /nfs/dbraw/zinc/79/68/47/584796847.db2.gz FETSMIVDCFFLHC-LLVKDONJSA-N 2 0 227.352 0.036 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)CCC[NH2+]C ZINC000903761547 584797236 /nfs/dbraw/zinc/79/72/36/584797236.db2.gz VXFWOSLYEPROSK-WDEREUQCSA-N 2 0 228.336 0.727 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000903766933 584797405 /nfs/dbraw/zinc/79/74/05/584797405.db2.gz DEZJXJLAEXQWSZ-WRWGMCAJSA-N 2 0 240.347 0.997 20 0 BCADRP [NH3+]C[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)CCCO1 ZINC000903760995 584797664 /nfs/dbraw/zinc/79/76/64/584797664.db2.gz MLLOBPMXQFHPEZ-QWHCGFSZSA-N 2 0 241.379 0.426 20 0 BCADRP CCN(CC[NH3+])C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903769368 584798348 /nfs/dbraw/zinc/79/83/48/584798348.db2.gz DWTMHHQVPLYVDS-VXGBXAGGSA-N 2 0 227.352 0.036 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903778645 584799633 /nfs/dbraw/zinc/79/96/33/584799633.db2.gz QJQXIFQQOKQYIH-MROQNXINSA-N 2 0 239.363 0.177 20 0 BCADRP [NH3+][C@H]1CCCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903786460 584800031 /nfs/dbraw/zinc/80/00/31/584800031.db2.gz JDJRVSMBLBLIFC-YNEHKIRRSA-N 2 0 239.363 0.178 20 0 BCADRP [NH3+]C[C@]12CC[C@H]1CCCN2C[C@H]1CC[NH2+]C1 ZINC000903795608 584800967 /nfs/dbraw/zinc/80/09/67/584800967.db2.gz NSKUSAXQBCLQKX-YNEHKIRRSA-N 2 0 223.364 0.799 20 0 BCADRP [NH3+]C[C@]12CC[C@@H]1CCCN2C[C@@H]1C[NH2+]CCO1 ZINC000903801472 584802261 /nfs/dbraw/zinc/80/22/61/584802261.db2.gz NPAFSTFMMDGMMB-RWMBFGLXSA-N 2 0 239.363 0.178 20 0 BCADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)C1(CN)CCOCC1 ZINC000903809681 584803721 /nfs/dbraw/zinc/80/37/21/584803721.db2.gz ISPRDBYLNXDDSH-LBPRGKRZSA-N 2 0 241.379 0.426 20 0 BCADRP CC[N@H+](CCCCCC[NH3+])CCC(=O)NC ZINC000903825599 584804566 /nfs/dbraw/zinc/80/45/66/584804566.db2.gz AOYMGMDAPBGFFY-UHFFFAOYSA-N 2 0 229.368 0.964 20 0 BCADRP [NH3+]CCC[NH+]1CCC(N2CCCOC2=O)CC1 ZINC000903825050 584804676 /nfs/dbraw/zinc/80/46/76/584804676.db2.gz XLHVSSFWXSPQAK-UHFFFAOYSA-N 2 0 241.335 0.642 20 0 BCADRP C[C@H]1CSCCC[N@@H+]1CCOCC[NH3+] ZINC000903830079 584805325 /nfs/dbraw/zinc/80/53/25/584805325.db2.gz SBSHXBONWSRVRL-JTQLQIEISA-N 2 0 218.366 0.789 20 0 BCADRP C(C[N@@H+]1CCO[C@@H]2COCC[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000903829224 584805341 /nfs/dbraw/zinc/80/53/41/584805341.db2.gz CHSGVKFDVGKHSW-RWMBFGLXSA-N 2 0 240.347 0.476 20 0 BCADRP C[C@@H]1CCOCC[N@@H+]1CCOCC[NH3+] ZINC000903831925 584806229 /nfs/dbraw/zinc/80/62/29/584806229.db2.gz OHTYAQGZGBSDPE-SNVBAGLBSA-N 2 0 202.298 0.073 20 0 BCADRP C[C@@H]1CCOCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903833816 584806237 /nfs/dbraw/zinc/80/62/37/584806237.db2.gz YEGFTCLQPRYJIA-VXGBXAGGSA-N 2 0 240.347 0.476 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCc1cn[nH]c1)C2 ZINC000903838234 584806869 /nfs/dbraw/zinc/80/68/69/584806869.db2.gz ABWBMJOBXXTNQP-SRVKXCTJSA-N 2 0 220.320 0.764 20 0 BCADRP O[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1F ZINC000903841054 584807073 /nfs/dbraw/zinc/80/70/73/584807073.db2.gz WIAJZQSAIGREJS-SDDRHHMPSA-N 2 0 230.327 0.781 20 0 BCADRP O[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C[C@@H]1F ZINC000903840191 584807203 /nfs/dbraw/zinc/80/72/03/584807203.db2.gz PETMQDWUKVESAG-NWDGAFQWSA-N 2 0 230.327 0.781 20 0 BCADRP COCC[C@@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903839416 584807264 /nfs/dbraw/zinc/80/72/64/584807264.db2.gz KOLICWHYKINCMQ-FRRDWIJNSA-N 2 0 241.379 0.152 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000903843332 584807483 /nfs/dbraw/zinc/80/74/83/584807483.db2.gz IVKVHMLOWMOWIS-BJDJZHNGSA-N 3 0 209.337 0.408 20 0 BCADRP C[NH2+]C[C@](C)(O)C[NH2+][C@@H]1CC=CC[C@H]1C ZINC000903850255 584807935 /nfs/dbraw/zinc/80/79/35/584807935.db2.gz NCFJMGZOSKCTIW-UTUOFQBUSA-N 2 0 212.337 0.901 20 0 BCADRP C[C@@H]1CC=CC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000903849627 584808374 /nfs/dbraw/zinc/80/83/74/584808374.db2.gz FLHNJWDLXSKQTF-CHWSQXEVSA-N 2 0 223.364 0.836 20 0 BCADRP [NH3+]C[C@]12CC[C@@H]1CCN2CCC[NH2+]C1CC1 ZINC000903862951 584813395 /nfs/dbraw/zinc/81/33/95/584813395.db2.gz HHDYAJLENWYZHY-DGCLKSJQSA-N 2 0 223.364 0.942 20 0 BCADRP OC[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903889063 584813647 /nfs/dbraw/zinc/81/36/47/584813647.db2.gz NUTOEOKICLIISA-ODWCKFRGSA-N 2 0 224.348 0.831 20 0 BCADRP CN(C[C@@H]([NH3+])CC(F)F)[C@@H]1CCCCNC1=O ZINC000903889415 584814042 /nfs/dbraw/zinc/81/40/42/584814042.db2.gz RTWFHPDSAQJPEO-DTWKUNHWSA-N 2 0 249.305 0.569 20 0 BCADRP CC[N@H+](CCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903872858 584815379 /nfs/dbraw/zinc/81/53/79/584815379.db2.gz KHQIOKVPWNPUIK-YOGCLGLASA-N 2 0 212.337 0.831 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C[C@H]([NH3+])CC(F)F ZINC000903874334 584815879 /nfs/dbraw/zinc/81/58/79/584815879.db2.gz YEPLOGANJNZJIL-HTQZYQBOSA-N 2 0 207.268 0.263 20 0 BCADRP C[C@@H](CN)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903874224 584815945 /nfs/dbraw/zinc/81/59/45/584815945.db2.gz VNQQSZAKYCPLDG-YEJSDXFRSA-N 2 0 211.353 0.796 20 0 BCADRP [NH3+]CC1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903873950 584815992 /nfs/dbraw/zinc/81/59/92/584815992.db2.gz OPNLZYYQWJLMRE-VIFPVBQESA-N 2 0 221.295 0.640 20 0 BCADRP CN(C[C@@H]([NH3+])CC(F)F)[C@@H]1CC[NH2+]C1 ZINC000903874000 584816060 /nfs/dbraw/zinc/81/60/60/584816060.db2.gz QGPHYAATQRNGAF-JGVFFNPUSA-N 2 0 207.268 0.263 20 0 BCADRP C[C@H]1C[NH2+]CCN1C[C@H]([NH3+])CC(F)F ZINC000903874335 584816097 /nfs/dbraw/zinc/81/60/97/584816097.db2.gz YEPLOGANJNZJIL-JGVFFNPUSA-N 2 0 207.268 0.263 20 0 BCADRP C[NH2+]CCN(C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873454 584816164 /nfs/dbraw/zinc/81/61/64/584816164.db2.gz HQOXVYSQFINONS-YOGCLGLASA-N 2 0 211.353 0.668 20 0 BCADRP C[C@]1(C2CC2)COCCN1C[C@H]1C[NH2+]CCO1 ZINC000903881147 584817611 /nfs/dbraw/zinc/81/76/11/584817611.db2.gz FKSHSFIVBGZAKR-CHWSQXEVSA-N 2 0 240.347 0.476 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903906665 584821071 /nfs/dbraw/zinc/82/10/71/584821071.db2.gz XQVABPSJEIYYHP-HRDYMLBCSA-N 2 0 219.279 0.120 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000903905250 584821188 /nfs/dbraw/zinc/82/11/88/584821188.db2.gz BTUOEDMXPUTMHC-BBBLOLIVSA-N 2 0 233.306 0.795 20 0 BCADRP [NH3+][C@H](CN[C@@H]1CCC[NH2+]C1)CC(F)F ZINC000903918494 584822270 /nfs/dbraw/zinc/82/22/70/584822270.db2.gz ANEPSSGYEDILQA-JGVFFNPUSA-N 2 0 207.268 0.311 20 0 BCADRP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC(O)C1 ZINC000903914015 584822527 /nfs/dbraw/zinc/82/25/27/584822527.db2.gz SJFJMUUTZNSWKS-FMNWTUGISA-N 2 0 224.348 0.972 20 0 BCADRP NCC(F)(F)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918692 584822673 /nfs/dbraw/zinc/82/26/73/584822673.db2.gz FFPKTZLUHYYBCI-PBINXNQUSA-N 2 0 233.306 0.701 20 0 BCADRP C[C@@]1(CNC[C@@H]([NH3+])CC(F)F)CCC[NH2+]C1 ZINC000903921004 584822916 /nfs/dbraw/zinc/82/29/16/584822916.db2.gz ZLKKEOHGCZSGBK-GXSJLCMTSA-N 2 0 235.322 0.948 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]([NH3+])CC(F)F ZINC000903920052 584823185 /nfs/dbraw/zinc/82/31/85/584823185.db2.gz RQQANGRXHIBGOT-IWSPIJDZSA-N 2 0 221.295 0.557 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC[C@H]([NH3+])CC(F)F ZINC000903920003 584823195 /nfs/dbraw/zinc/82/31/95/584823195.db2.gz RCQUTLCCZRFZCQ-SFYZADRCSA-N 3 0 223.311 0.932 20 0 BCADRP [NH3+][C@@H](CN[C@@H]1CCCC[NH2+]C1)CC(F)F ZINC000903920770 584823335 /nfs/dbraw/zinc/82/33/35/584823335.db2.gz WYYCKFVRGYWNPG-RKDXNWHRSA-N 2 0 221.295 0.701 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@@H]([NH3+])CC(F)F ZINC000903918769 584823354 /nfs/dbraw/zinc/82/33/54/584823354.db2.gz HLDIBAJFSNLSEK-FXQIFTODSA-N 2 0 207.268 0.390 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC[C@@H]([NH3+])CC(F)F ZINC000903920534 584823414 /nfs/dbraw/zinc/82/34/14/584823414.db2.gz VWSZQQDQUDJQPG-DTWKUNHWSA-N 2 0 235.322 0.947 20 0 BCADRP COC(=O)C1(C[NH2+]C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903925887 584823649 /nfs/dbraw/zinc/82/36/49/584823649.db2.gz IQSSCKCYKIYFNB-ZETCQYMHSA-N 2 0 236.262 0.512 20 0 BCADRP C[C@@H]1CCN(C[C@H]([NH3+])CC(F)F)C[C@@H]1C[NH3+] ZINC000903929813 584824059 /nfs/dbraw/zinc/82/40/59/584824059.db2.gz LZBAECODAWZKDR-KXUCPTDWSA-N 2 0 235.322 0.886 20 0 BCADRP C[C@@H]1CCN(C[C@@H]([NH3+])CC(F)F)C[C@H]1C[NH3+] ZINC000903929812 584824379 /nfs/dbraw/zinc/82/43/79/584824379.db2.gz LZBAECODAWZKDR-BBBLOLIVSA-N 2 0 235.322 0.886 20 0 BCADRP COC(=O)C(C)(C)C[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903928388 584824421 /nfs/dbraw/zinc/82/44/21/584824421.db2.gz YKEZYCNPDZACJM-SSDOTTSWSA-N 2 0 238.278 0.758 20 0 BCADRP C([NH2+]C[C@H]1CNCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903929761 584824596 /nfs/dbraw/zinc/82/45/96/584824596.db2.gz KXYTZXGZYQYEBG-PSEXLTFBSA-N 3 0 239.363 0.095 20 0 BCADRP CN(Cc1c[nH]cn1)C[C@H]([NH3+])CC(F)F ZINC000903933129 584824835 /nfs/dbraw/zinc/82/48/35/584824835.db2.gz YREPWHVALZCQNH-SSDOTTSWSA-N 2 0 218.251 0.824 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC[C@@H]([NH3+])CC(F)F ZINC000903936129 584825748 /nfs/dbraw/zinc/82/57/48/584825748.db2.gz YPARFDBRAZFCON-BIIVOSGPSA-N 2 0 207.268 0.309 20 0 BCADRP C[NH2+]CCOCCN(C)C[C@H]([NH3+])CC(F)F ZINC000903935124 584825871 /nfs/dbraw/zinc/82/58/71/584825871.db2.gz NQLQDNFUQTZLPS-SECBINFHSA-N 3 0 239.310 0.137 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C[C@@H]([NH3+])CC(F)F)CC[C@H]21 ZINC000903937405 584826198 /nfs/dbraw/zinc/82/61/98/584826198.db2.gz KEVAYWSPTZQGPA-OUAUKWLOSA-N 2 0 247.333 0.995 20 0 BCADRP [NH3+][C@@H](CNC[C@H]1CCC[NH2+]1)CC(F)F ZINC000903918017 584826906 /nfs/dbraw/zinc/82/69/06/584826906.db2.gz QIOAGJLMVLFVME-HTQZYQBOSA-N 2 0 207.268 0.311 20 0 BCADRP C[C@H](NC[C@H]([NH3+])CC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000903917768 584827087 /nfs/dbraw/zinc/82/70/87/584827087.db2.gz NHCZYZTZXZILJT-IVZWLZJFSA-N 2 0 235.322 0.947 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000903917001 584827190 /nfs/dbraw/zinc/82/71/90/584827190.db2.gz JGUVPPHSOBHZOZ-HLTSFMKQSA-N 2 0 219.279 0.263 20 0 BCADRP [NH3+][C@H](CNC[C@H]1CCC[NH2+]1)CC(F)F ZINC000903918018 584827216 /nfs/dbraw/zinc/82/72/16/584827216.db2.gz QIOAGJLMVLFVME-JGVFFNPUSA-N 2 0 207.268 0.311 20 0 BCADRP FC1(F)CC[NH2+]C[C@H]1CN[C@@H]1CCC[NH2+]C1 ZINC000903957733 584827506 /nfs/dbraw/zinc/82/75/06/584827506.db2.gz SZXNSCFHCZCCSG-VHSXEESVSA-N 2 0 233.306 0.573 20 0 BCADRP FC1(F)CC[NH2+]C[C@@H]1CN[C@H]1CC[NH2+]C1 ZINC000903956963 584827862 /nfs/dbraw/zinc/82/78/62/584827862.db2.gz OBLUIACKABWQBY-BDAKNGLRSA-N 2 0 219.279 0.183 20 0 BCADRP COC[C@@H]([NH2+]CCC[NH3+])[C@H]1CCCOC1 ZINC000903959421 584827885 /nfs/dbraw/zinc/82/78/85/584827885.db2.gz HTMDXAXZQRETLP-WDEREUQCSA-N 2 0 216.325 0.366 20 0 BCADRP C[N@H+](CCCF)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000903961672 584828921 /nfs/dbraw/zinc/82/89/21/584828921.db2.gz FAIXBCIIUURFQJ-LLVKDONJSA-N 2 0 245.342 0.475 20 0 BCADRP [NH3+]CCCN1CCc2sc(C[NH3+])nc2C1 ZINC000903945699 584829682 /nfs/dbraw/zinc/82/96/82/584829682.db2.gz WZAQLEPPOMOJKK-UHFFFAOYSA-N 2 0 226.349 0.309 20 0 BCADRP Nc1cc[nH+]c(CN[C@H]2CCC[NH2+]CC2)c1 ZINC000903954030 584831180 /nfs/dbraw/zinc/83/11/80/584831180.db2.gz OHAMVEOZPQYAOI-NSHDSACASA-N 2 0 220.320 0.896 20 0 BCADRP Nc1cc[nH+]c(CNC[C@]23C[C@H]2C[NH2+]C3)c1 ZINC000903953121 584831535 /nfs/dbraw/zinc/83/15/35/584831535.db2.gz AFRGAYBARZQEOB-JOYOIKCWSA-N 2 0 218.304 0.363 20 0 BCADRP C[C@]1(CNC[C@@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000903956108 584832350 /nfs/dbraw/zinc/83/23/50/584832350.db2.gz GZSHFWDQWBBXHW-QWRGUYRKSA-N 2 0 247.333 0.820 20 0 BCADRP C1C[C@H](N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[NH2+]1 ZINC000903970137 584832734 /nfs/dbraw/zinc/83/27/34/584832734.db2.gz QUIGXPODBGGTKT-NWDGAFQWSA-N 2 0 239.363 0.097 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CNC[C@H](C)C1 ZINC000903979209 584833548 /nfs/dbraw/zinc/83/35/48/584833548.db2.gz YPWFMLHQAPUHDW-LPWJVIDDSA-N 2 0 225.380 0.820 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CNC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000903967412 584834895 /nfs/dbraw/zinc/83/48/95/584834895.db2.gz JFPDFBQBKUQCOM-WRWGMCAJSA-N 2 0 209.337 0.041 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000903967691 584835019 /nfs/dbraw/zinc/83/50/19/584835019.db2.gz KUCYKMCLOCSMJV-QKEWWQLBSA-N 3 0 211.353 0.701 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000903967684 584835037 /nfs/dbraw/zinc/83/50/37/584835037.db2.gz KQDDOERAGPWLRU-USZNOCQGSA-N 2 0 211.353 0.430 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000903968524 584835189 /nfs/dbraw/zinc/83/51/89/584835189.db2.gz XFPPPSCONUYFLL-XGFWRYKXSA-N 3 0 237.391 0.820 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CNC[C@H]([NH3+])CC(F)F ZINC000903967074 584835235 /nfs/dbraw/zinc/83/52/35/584835235.db2.gz GMISSKRWMKWFSM-HRDYMLBCSA-N 2 0 221.295 0.414 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000903986283 584835439 /nfs/dbraw/zinc/83/54/39/584835439.db2.gz IPRBCMWNVZJGDB-MNOVXSKESA-N 2 0 213.369 0.886 20 0 BCADRP CC1(C)CN(C[C@@]23C[C@@H]2C[NH2+]C3)C[C@H]1[NH3+] ZINC000903985748 584835440 /nfs/dbraw/zinc/83/54/40/584835440.db2.gz ARJQUIYGLVXJGX-FOGDFJRCSA-N 2 0 209.337 0.265 20 0 BCADRP COC(=O)C[C@@H]1C[N@H+](CCC[NH3+])C[C@H]1C ZINC000903987168 584836000 /nfs/dbraw/zinc/83/60/00/584836000.db2.gz YAEMETRCVFNHOY-NXEZZACHSA-N 2 0 214.309 0.466 20 0 BCADRP C[C@@]1(C[N@@H+]2CC[C@H](CO)C2)CCC[NH2+]C1 ZINC000904315877 584860031 /nfs/dbraw/zinc/86/00/31/584860031.db2.gz GAUVBINWOMSRLY-NWDGAFQWSA-N 2 0 212.337 0.690 20 0 BCADRP C[C@H](N)[C@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904299666 584860569 /nfs/dbraw/zinc/86/05/69/584860569.db2.gz LJRRUPYBYRQIKY-NNYUYHANSA-N 2 0 211.353 0.925 20 0 BCADRP CCOC(=O)C1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904301251 584861066 /nfs/dbraw/zinc/86/10/66/584861066.db2.gz BYJPCLNLYCBUKN-KLPPZKSPSA-N 2 0 240.347 0.999 20 0 BCADRP C[C@@]1(C[N@@H+]2CCC[C@@H](O)C2)CCC[NH2+]C1 ZINC000904301606 584861447 /nfs/dbraw/zinc/86/14/47/584861447.db2.gz JSGZIJNRGWAOGW-VXGBXAGGSA-N 2 0 212.337 0.833 20 0 BCADRP C[NH2+]CCN(C)Cc1ccc(C[NH3+])cc1 ZINC000904302628 584861709 /nfs/dbraw/zinc/86/17/09/584861709.db2.gz XLKBCKZDZWFFJG-UHFFFAOYSA-N 2 0 207.321 0.797 20 0 BCADRP CC[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000904302060 584862226 /nfs/dbraw/zinc/86/22/26/584862226.db2.gz UNQOULOQJNUJCH-NNYUYHANSA-N 2 0 211.353 0.783 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000904302857 584862273 /nfs/dbraw/zinc/86/22/73/584862273.db2.gz ZWPFWGAYIRZVST-IEECTRCBSA-N 3 0 223.364 0.783 20 0 BCADRP CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H](C)CS(C)(=O)=O ZINC000904321318 584863816 /nfs/dbraw/zinc/86/38/16/584863816.db2.gz WKXLAZVJZDWMLV-GARJFASQSA-N 2 0 248.392 0.479 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](OCCO)C2)C1 ZINC000904318725 584863944 /nfs/dbraw/zinc/86/39/44/584863944.db2.gz UPGNSKQLHWBGFG-GRYCIOLGSA-N 2 0 228.336 0.197 20 0 BCADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCN(C2CC2)C1 ZINC000904316641 584864015 /nfs/dbraw/zinc/86/40/15/584864015.db2.gz RNHVLNHEROQOLC-NTZNESFSSA-N 2 0 223.364 0.892 20 0 BCADRP C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321887 584864671 /nfs/dbraw/zinc/86/46/71/584864671.db2.gz JLXMDOIDTUZECE-YFKTTZPYSA-N 2 0 212.337 0.959 20 0 BCADRP CC(=O)N1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904322309 584864822 /nfs/dbraw/zinc/86/48/22/584864822.db2.gz WCOAMFPDMSDXKY-JLLWLGSASA-N 2 0 225.336 0.276 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)C1 ZINC000904328436 584865205 /nfs/dbraw/zinc/86/52/05/584865205.db2.gz OPDJIASKRCDTBN-XQHKEYJVSA-N 2 0 240.347 0.604 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCS[C@@H]3COCC[C@H]32)C1 ZINC000904326917 584865284 /nfs/dbraw/zinc/86/52/84/584865284.db2.gz SYYXTYUCMHYNBU-WRWGMCAJSA-N 2 0 242.388 0.930 20 0 BCADRP CNC(=O)[C@@H](C)C[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904327015 584865295 /nfs/dbraw/zinc/86/52/95/584865295.db2.gz XAFSXECOFIQRFC-AAEUAGOBSA-N 2 0 241.379 0.690 20 0 BCADRP [NH3+][C@H]1C[C@@H](CN2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000904334009 584866543 /nfs/dbraw/zinc/86/65/43/584866543.db2.gz JEAQXFBBZQRKDU-KWCYVHTRSA-N 2 0 246.358 0.765 20 0 BCADRP CCN(CC(N)=O)C[C@@]1(C)CCC[NH2+]C1 ZINC000904339991 584866589 /nfs/dbraw/zinc/86/65/89/584866589.db2.gz CKAUWQUSXJCUMB-NSHDSACASA-N 2 0 213.325 0.183 20 0 BCADRP C[C@@H](CN1CCOCC1)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904342591 584867178 /nfs/dbraw/zinc/86/71/78/584867178.db2.gz LDSPHIDHEZXNSK-RWMBFGLXSA-N 2 0 241.379 0.376 20 0 BCADRP C[N@H+](CCCCCO)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341127 584867361 /nfs/dbraw/zinc/86/73/61/584867361.db2.gz IQOSYEYEBIWKSA-PHIMTYICSA-N 2 0 200.326 0.818 20 0 BCADRP NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904347950 584868249 /nfs/dbraw/zinc/86/82/49/584868249.db2.gz LBGOBSJRFYWESM-SVNGYHJRSA-N 2 0 237.347 0.310 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCc3cc[nH]c(=O)c3C2)C1 ZINC000904347513 584868590 /nfs/dbraw/zinc/86/85/90/584868590.db2.gz HZFPXMPZLLBRTM-JGZJWPJOSA-N 2 0 233.315 0.883 20 0 BCADRP COC(=O)[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1C ZINC000904348988 584868818 /nfs/dbraw/zinc/86/88/18/584868818.db2.gz ZAENWBXPOGCCBU-MMWGEVLESA-N 2 0 226.320 0.607 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000904349848 584868935 /nfs/dbraw/zinc/86/89/35/584868935.db2.gz DEAFGCMIFNWSJE-WYUUTHIRSA-N 3 0 209.337 0.408 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000904349849 584869000 /nfs/dbraw/zinc/86/90/00/584869000.db2.gz DEAFGCMIFNWSJE-YFKTTZPYSA-N 3 0 209.337 0.408 20 0 BCADRP C[C@@]1(CNC2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000904350818 584869269 /nfs/dbraw/zinc/86/92/69/584869269.db2.gz PVNQNNCYRWQJAL-GFCCVEGCSA-N 2 0 211.353 0.718 20 0 BCADRP C[C@@H]([NH2+]C1CC(C[NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000904353180 584869903 /nfs/dbraw/zinc/86/99/03/584869903.db2.gz HVDVRYINFLCNSV-QTAHKJALSA-N 2 0 211.353 0.701 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(N)nn1 ZINC000904354212 584870127 /nfs/dbraw/zinc/87/01/27/584870127.db2.gz CXQKVDRZGHBWEK-VIFPVBQESA-N 2 0 223.324 0.666 20 0 BCADRP C[C@@H](NCc1ccc(C[NH3+])cc1)[C@H](C)[NH3+] ZINC000904354284 584870340 /nfs/dbraw/zinc/87/03/40/584870340.db2.gz DKXHFJOEMKNENF-VHSXEESVSA-N 2 0 207.321 0.971 20 0 BCADRP C[C@]1(CNCC2([NH3+])CCC2)CCC[NH2+]C1 ZINC000904356095 584871426 /nfs/dbraw/zinc/87/14/26/584871426.db2.gz TZTBEPSPFGKCCN-NSHDSACASA-N 2 0 211.353 0.847 20 0 BCADRP [NH3+]CCN1CCC([NH2+][C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000904354595 584870422 /nfs/dbraw/zinc/87/04/22/584870422.db2.gz HDLRXULABRPJFE-AAEUAGOBSA-N 3 0 240.395 0.127 20 0 BCADRP C[C@@]1(C[NH2+]CC[C@H]2CC[NH2+]C2)CCC[NH2+]C1 ZINC000904353854 584870459 /nfs/dbraw/zinc/87/04/59/584870459.db2.gz SVNPWKRQDWNQJC-CHWSQXEVSA-N 3 0 225.380 0.965 20 0 BCADRP CC(C)C[C@@H](CN)[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904354468 584870466 /nfs/dbraw/zinc/87/04/66/584870466.db2.gz ZEPIEWZPRLFGNG-ZDUSSCGKSA-N 2 0 242.411 0.373 20 0 BCADRP [NH3+]Cc1ccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000904354347 584870501 /nfs/dbraw/zinc/87/05/01/584870501.db2.gz GBPQTZDIVQXDJA-STQMWFEESA-N 3 0 237.322 0.935 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(N)nn1 ZINC000904354211 584870544 /nfs/dbraw/zinc/87/05/44/584870544.db2.gz CXQKVDRZGHBWEK-SECBINFHSA-N 2 0 223.324 0.666 20 0 BCADRP C[C@@]1(CNC[C@@H]2C[C@H](F)C[NH2+]2)CCC[NH2+]C1 ZINC000904355280 584870594 /nfs/dbraw/zinc/87/05/94/584870594.db2.gz PJYUIGZRUGDPHH-SDDRHHMPSA-N 2 0 229.343 0.666 20 0 BCADRP C[C@@]1(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000904354934 584871019 /nfs/dbraw/zinc/87/10/19/584871019.db2.gz HHVBLIOZGLLECP-GRYCIOLGSA-N 3 0 211.353 0.703 20 0 BCADRP CC[NH2+][C@H](C)CNC[C@]1(C)CCC[NH2+]C1 ZINC000904356711 584871327 /nfs/dbraw/zinc/87/13/27/584871327.db2.gz YHYOJVJVTAZZJI-VXGBXAGGSA-N 2 0 213.369 0.964 20 0 BCADRP [NH3+]CC1CC([NH2+]CCCOC[C@@H]2CCCO2)C1 ZINC000904361047 584872191 /nfs/dbraw/zinc/87/21/91/584872191.db2.gz TXQZHIRERPICEY-BPCQOVAHSA-N 2 0 242.363 0.899 20 0 BCADRP [NH3+]CC[C@H](NC[C@H]1C[C@@H]([NH3+])C1)C(F)(F)F ZINC000904358816 584872421 /nfs/dbraw/zinc/87/24/21/584872421.db2.gz SQWCCQXLNLCAOX-RNJXMRFFSA-N 2 0 225.258 0.593 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@@H](CF)C2)C1 ZINC000904371299 584873208 /nfs/dbraw/zinc/87/32/08/584873208.db2.gz LYVRNWJKXDLUNP-AEJSXWLSSA-N 2 0 202.273 0.394 20 0 BCADRP CC(C)(C)CC[C@@H]([NH3+])CNC[C@H]1C[NH2+]CCO1 ZINC000904372171 584873086 /nfs/dbraw/zinc/87/30/86/584873086.db2.gz ZAPIMMBLQLKXGI-VXGBXAGGSA-N 2 0 243.395 0.718 20 0 BCADRP [NH3+]CC1CC([NH2+][C@H]2C[C@H]3CCCCN3C2=O)C1 ZINC000904370984 584873411 /nfs/dbraw/zinc/87/34/11/584873411.db2.gz GYMFUSSZHHNIRA-HCWSGVFWSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+]CCCCCC[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904374531 584873632 /nfs/dbraw/zinc/87/36/32/584873632.db2.gz SULWQERHQVJKTD-UHFFFAOYSA-N 3 0 242.411 0.518 20 0 BCADRP COC(=O)[C@@]1(C)CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904372338 584873737 /nfs/dbraw/zinc/87/37/37/584873737.db2.gz BKSSEPNCTAGBOZ-LOWVWBTDSA-N 2 0 240.347 0.999 20 0 BCADRP [NH3+]CC1CC([NH2+][C@H]2CCN(c3ccccn3)C2)C1 ZINC000904364052 584874399 /nfs/dbraw/zinc/87/43/99/584874399.db2.gz QRPHCGWPGZEACA-CPCZMJQVSA-N 2 0 246.358 0.987 20 0 BCADRP CCS(=O)(=O)C[C@H](C)[NH2+]C1CC(C[NH3+])C1 ZINC000904366369 584874692 /nfs/dbraw/zinc/87/46/92/584874692.db2.gz ISHMPIHHAABPJP-IDKOKCKLSA-N 2 0 234.365 0.137 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CNC[C@]1(C)CCC[NH2+]C1 ZINC000904388685 584874758 /nfs/dbraw/zinc/87/47/58/584874758.db2.gz NDAZZODVDPOBDA-FRRDWIJNSA-N 2 0 225.380 0.821 20 0 BCADRP CCOC(=O)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000904389857 584875424 /nfs/dbraw/zinc/87/54/24/584875424.db2.gz WQCQTBAEZWOHLG-GFCCVEGCSA-N 2 0 240.347 0.871 20 0 BCADRP CCOC(=O)[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904389941 584875618 /nfs/dbraw/zinc/87/56/18/584875618.db2.gz YWVWIBJLIZJTIX-MXWKQRLJSA-N 2 0 226.320 0.609 20 0 BCADRP C[NH2+]C[C@@H](C)NCc1ccc(C[NH3+])cc1 ZINC000904378451 584876429 /nfs/dbraw/zinc/87/64/29/584876429.db2.gz CXYQROWXGVNSIN-SNVBAGLBSA-N 2 0 207.321 0.843 20 0 BCADRP C[C@]1(CN2CC[C@@H](F)[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000904378839 584876631 /nfs/dbraw/zinc/87/66/31/584876631.db2.gz LZCVHYMIENTXMZ-UTUOFQBUSA-N 2 0 229.343 0.747 20 0 BCADRP CC(C)(C)CC[C@H]([NH3+])CNC[C@H]1COCC[NH2+]1 ZINC000904380399 584876707 /nfs/dbraw/zinc/87/67/07/584876707.db2.gz BLLJZLAWIGCDLI-RYUDHWBXSA-N 2 0 243.395 0.718 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904380911 584876733 /nfs/dbraw/zinc/87/67/33/584876733.db2.gz PURHTEMACQRENZ-ZDUSSCGKSA-N 3 0 243.395 0.544 20 0 BCADRP COC(=O)NC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904379817 584876752 /nfs/dbraw/zinc/87/67/52/584876752.db2.gz XZZNDDZFJAFTRU-AOOOYVTPSA-N 2 0 241.335 0.544 20 0 BCADRP CC(C)(C)CC[C@@H]([NH3+])CNC[C@H]1COCC[NH2+]1 ZINC000904380396 584876805 /nfs/dbraw/zinc/87/68/05/584876805.db2.gz BLLJZLAWIGCDLI-NEPJUHHUSA-N 2 0 243.395 0.718 20 0 BCADRP N[C@@H]1CCCCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904380495 584876936 /nfs/dbraw/zinc/87/69/36/584876936.db2.gz CWXIGFJZCPHFES-UTUOFQBUSA-N 2 0 211.353 0.927 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C[C@H]3C[C@@H]([NH3+])C3)CC[C@H]21 ZINC000904384294 584877466 /nfs/dbraw/zinc/87/74/66/584877466.db2.gz JMZZFACEAYGETM-WUHRBBMRSA-N 2 0 223.364 0.750 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904388145 584878049 /nfs/dbraw/zinc/87/80/49/584878049.db2.gz DYDBHWWSJQXWLS-KKOKHZNYSA-N 3 0 211.353 0.559 20 0 BCADRP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904407102 584878611 /nfs/dbraw/zinc/87/86/11/584878611.db2.gz NIJKLFFJXXCCQK-VXGBXAGGSA-N 3 0 213.369 0.888 20 0 BCADRP CN(C)c1ncc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC000904406017 584878664 /nfs/dbraw/zinc/87/86/64/584878664.db2.gz NNNAVSPWVJMDFK-LLVKDONJSA-N 2 0 249.362 0.713 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000904410956 584878850 /nfs/dbraw/zinc/87/88/50/584878850.db2.gz RWSVXDQUECZGPO-AGIUHOORSA-N 3 0 225.380 0.903 20 0 BCADRP C[C@H]1C[N@H+](Cc2cnnn2C)CC[C@H]1C[NH3+] ZINC000904411922 584879696 /nfs/dbraw/zinc/87/96/96/584879696.db2.gz QFDAXPVLBUBSJC-UWVGGRQHSA-N 2 0 223.324 0.232 20 0 BCADRP C([NH2+][C@H]1CNOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904424434 584881257 /nfs/dbraw/zinc/88/12/57/584881257.db2.gz SDPNQKSIBIUPDY-GYIHNLGQSA-N 2 0 211.309 0.010 20 0 BCADRP C(N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000904420663 584882179 /nfs/dbraw/zinc/88/21/79/584882179.db2.gz SZFSSXMSOCLRLI-CMOBGSAGSA-N 2 0 221.348 0.280 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000876530345 584885936 /nfs/dbraw/zinc/88/59/36/584885936.db2.gz LZHKEIXLWOWPQW-ZJUUUORDSA-N 2 0 239.363 0.748 20 0 BCADRP CN(C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)[C@@H]1CC[NH2+]C1 ZINC000876527574 584885955 /nfs/dbraw/zinc/88/59/55/584885955.db2.gz AWPJEWWCWSWBMM-KXUCPTDWSA-N 2 0 225.336 0.180 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876529612 584885960 /nfs/dbraw/zinc/88/59/60/584885960.db2.gz MGHLUFQARPWMKW-WDEREUQCSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876831779 584887599 /nfs/dbraw/zinc/88/75/99/584887599.db2.gz KATLHFNFMJPNSF-USZNOCQGSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000876932018 584888102 /nfs/dbraw/zinc/88/81/02/584888102.db2.gz AXBMVYZAWUWCFZ-WRWGMCAJSA-N 2 0 239.363 0.890 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877006489 584888670 /nfs/dbraw/zinc/88/86/70/584888670.db2.gz VTNVACSTPHYVJF-PWSUYJOCSA-N 2 0 225.336 0.326 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000877081425 584889759 /nfs/dbraw/zinc/88/97/59/584889759.db2.gz AWRGAOXEDCFLNT-GARJFASQSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)CCCCC[NH3+] ZINC000877102417 584889983 /nfs/dbraw/zinc/88/99/83/584889983.db2.gz HQQVETQJKVGAFU-SECBINFHSA-N 2 0 201.314 0.311 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884022755 584898165 /nfs/dbraw/zinc/89/81/65/584898165.db2.gz POMDQKVUKINTAN-DTWKUNHWSA-N 2 0 213.325 0.086 20 0 BCADRP CC[C@@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)CC[C@H]1[NH3+] ZINC000834648280 584914381 /nfs/dbraw/zinc/91/43/81/584914381.db2.gz ULBVAUUMRINHDD-JLLWLGSASA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1cccc(C[NH3+])c1 ZINC000834822730 584914904 /nfs/dbraw/zinc/91/49/04/584914904.db2.gz YYPUOUDLXQFVQR-BDAKNGLRSA-N 2 0 221.304 0.611 20 0 BCADRP C[C@@H](CNC(=S)NCCC[NH+](C)C)[NH+](C)C ZINC000840808845 585045676 /nfs/dbraw/zinc/04/56/76/585045676.db2.gz GCKJFWQAVVGBCZ-JTQLQIEISA-N 2 0 246.424 0.352 20 0 BCADRP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@H+](C)C2)CCC1 ZINC000762978983 585440641 /nfs/dbraw/zinc/44/06/41/585440641.db2.gz OCUALKLQHSSUQK-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)CC1CC[NH+](CC2OCCO2)CC1 ZINC000777557825 585715346 /nfs/dbraw/zinc/71/53/46/585715346.db2.gz PNFDIKFRTOXQBW-UHFFFAOYSA-N 2 0 228.336 0.633 20 0 BCADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779339870 585751492 /nfs/dbraw/zinc/75/14/92/585751492.db2.gz GFYUGOIOJQFNEO-QWRGUYRKSA-N 2 0 200.326 0.689 20 0 BCADRP C[C@@H](CCO)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000779341461 585751859 /nfs/dbraw/zinc/75/18/59/585751859.db2.gz HWUNDEWRINTJIE-QWRGUYRKSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@H](CCO)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000779340902 585751983 /nfs/dbraw/zinc/75/19/83/585751983.db2.gz FHLCVGQZOUIYBO-GFCCVEGCSA-N 2 0 243.395 0.373 20 0 BCADRP C[C@H](CCO)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000779398151 585753293 /nfs/dbraw/zinc/75/32/93/585753293.db2.gz DPTLEYMSMUMMNU-QWHCGFSZSA-N 2 0 243.395 0.230 20 0 BCADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)CCO)CC1 ZINC000779407118 585753991 /nfs/dbraw/zinc/75/39/91/585753991.db2.gz RTNCCEHJDCEKTD-LBPRGKRZSA-N 2 0 244.379 0.582 20 0 BCADRP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000788327761 585922071 /nfs/dbraw/zinc/92/20/71/585922071.db2.gz RNQPHYPHRGVPAM-RYUDHWBXSA-N 2 0 235.331 0.973 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CCNC(=O)C2(C)C)CC1 ZINC000788479746 585925293 /nfs/dbraw/zinc/92/52/93/585925293.db2.gz AQWAYCKOBMOXLR-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H](CCO)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000799726205 586194795 /nfs/dbraw/zinc/19/47/95/586194795.db2.gz MISNSMZEROAJCF-LBPRGKRZSA-N 2 0 243.395 0.373 20 0 BCADRP CC[NH2+]CC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000817860298 586830538 /nfs/dbraw/zinc/83/05/38/586830538.db2.gz FXALXQCKVHAXIG-VWYCJHECSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@H](NCC[N@@H+]1CCC[C@@H]1C)C1C[NH2+]C1 ZINC000817912829 586831431 /nfs/dbraw/zinc/83/14/31/586831431.db2.gz JMCYMUBCGCFESI-QWRGUYRKSA-N 2 0 211.353 0.668 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000817891016 586832021 /nfs/dbraw/zinc/83/20/21/586832021.db2.gz DPDJSILCKWMTBN-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H](N[C@@H]1CC[N@H+](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000817890758 586833247 /nfs/dbraw/zinc/83/32/47/586833247.db2.gz YMMVWWHRWSOOEM-UTUOFQBUSA-N 2 0 211.353 0.811 20 0 BCADRP CN(C(=O)[C@H]1[NH2+]CC1(C)C)C1CCC([NH3+])CC1 ZINC000818528637 586897624 /nfs/dbraw/zinc/89/76/24/586897624.db2.gz BJKIWKAMCIPECF-VQXHTEKXSA-N 2 0 239.363 0.713 20 0 BCADRP CC[NH2+]CC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818534529 586898389 /nfs/dbraw/zinc/89/83/89/586898389.db2.gz GZFGUGLLIMYJRA-UHFFFAOYSA-N 2 0 235.331 0.414 20 0 BCADRP CN(C(=O)c1cccc(C[NH3+])c1)[C@@H]1CC[NH2+]C1 ZINC000818547463 586899549 /nfs/dbraw/zinc/89/95/49/586899549.db2.gz VFJNZJKINZIEJK-GFCCVEGCSA-N 2 0 233.315 0.579 20 0 BCADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000818559106 586900893 /nfs/dbraw/zinc/90/08/93/586900893.db2.gz YJWZHLQKWVYKGW-VWYCJHECSA-N 2 0 249.314 0.158 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000819987114 587011588 /nfs/dbraw/zinc/01/15/88/587011588.db2.gz OSJMILLESCOLKD-GFCCVEGCSA-N 2 0 239.363 0.492 20 0 BCADRP c1nc2c([nH]1)C[N@H+](CCC1OCCO1)CC2 ZINC000821270153 587104455 /nfs/dbraw/zinc/10/44/55/587104455.db2.gz KDNOKECPQQIVGQ-UHFFFAOYSA-N 2 0 223.276 0.531 20 0 BCADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH+](C)C ZINC000823095879 587202395 /nfs/dbraw/zinc/20/23/95/587202395.db2.gz WUCOOAQCUZGVME-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)Cc1ncc[nH]1 ZINC000827408339 587380332 /nfs/dbraw/zinc/38/03/32/587380332.db2.gz VIUCYJBRNYBIDD-UHFFFAOYSA-N 2 0 238.335 0.800 20 0 BCADRP CN(CC[S@@](C)=O)C[C@H]1CCC[N@H+](C)C1 ZINC000827878465 587406747 /nfs/dbraw/zinc/40/67/47/587406747.db2.gz WUXYTDZKRBGIKC-XHDPSFHLSA-N 2 0 232.393 0.639 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000830177446 587540375 /nfs/dbraw/zinc/54/03/75/587540375.db2.gz LHBUDXNGAOKNSI-SNVBAGLBSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@]2(F)CC[NH2+]C2)CC[N@@H+]1C ZINC000830463205 587552057 /nfs/dbraw/zinc/55/20/57/587552057.db2.gz LHDYPEXRVQJWBU-FOGDFJRCSA-N 2 0 243.326 0.287 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NCCCCCC[NH3+] ZINC000831178329 587589446 /nfs/dbraw/zinc/58/94/46/587589446.db2.gz NMKTXEDLQKZSGF-NSHDSACASA-N 2 0 244.383 0.788 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)NCCCCCC[NH3+])C1 ZINC000831290943 587595952 /nfs/dbraw/zinc/59/59/52/587595952.db2.gz IDQKSLGIRZLOLP-NSHDSACASA-N 2 0 242.367 0.509 20 0 BCADRP [NH3+][C@H](CC(=O)N1CC[C@]2(CC[NH2+]C2)C1)C1CC1 ZINC000831578254 587620346 /nfs/dbraw/zinc/62/03/46/587620346.db2.gz LAXNWXYZXFTQHC-YPMHNXCESA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+][C@H](CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CC1 ZINC000831700873 587628194 /nfs/dbraw/zinc/62/81/94/587628194.db2.gz PKHJXXSSBSSKPW-IJLUTSLNSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000831971463 587640256 /nfs/dbraw/zinc/64/02/56/587640256.db2.gz XXJNZRAGARWUHD-PWSUYJOCSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000831970626 587640314 /nfs/dbraw/zinc/64/03/14/587640314.db2.gz JUXRMFXUJVDMTC-PWSUYJOCSA-N 2 0 243.326 0.289 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831970424 587640486 /nfs/dbraw/zinc/64/04/86/587640486.db2.gz HCLPMCACEOCPSV-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831970605 587640653 /nfs/dbraw/zinc/64/06/53/587640653.db2.gz JJTZXWCULULILF-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C1CC[NH2+]CC1 ZINC000831971383 587640717 /nfs/dbraw/zinc/64/07/17/587640717.db2.gz WQQSNQJZWAWBIN-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)CC1(C[NH3+])CC1 ZINC000831970700 587640749 /nfs/dbraw/zinc/64/07/49/587640749.db2.gz KPMPKVYGEYZPLF-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831970621 587640755 /nfs/dbraw/zinc/64/07/55/587640755.db2.gz JUKMDHLZUBUPPY-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000832135910 587646310 /nfs/dbraw/zinc/64/63/10/587646310.db2.gz UFUHQKVLJDLSPG-ZYHUDNBSSA-N 2 0 243.326 0.098 20 0 BCADRP C[NH+](C)CCN(C(=O)C[C@H]([NH3+])C1CC1)C1CC1 ZINC000832157917 587647157 /nfs/dbraw/zinc/64/71/57/587647157.db2.gz FEYSHOROISPKNC-LBPRGKRZSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+]Cc1cccc(C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000832322011 587654180 /nfs/dbraw/zinc/65/41/80/587654180.db2.gz CGULTZHSAUJJLZ-GFCCVEGCSA-N 2 0 233.315 0.627 20 0 BCADRP [NH3+]CCCCCC(=O)NCC1CC[NH2+]CC1 ZINC000832363638 587656179 /nfs/dbraw/zinc/65/61/79/587656179.db2.gz WEUZICWHKZLFCG-UHFFFAOYSA-N 2 0 227.352 0.621 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000832459735 587661170 /nfs/dbraw/zinc/66/11/70/587661170.db2.gz VWBVIZXOHWCOLQ-GXSJLCMTSA-N 2 0 225.336 0.311 20 0 BCADRP C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)[C@H]1CCC[NH2+]C1 ZINC000832497430 587663721 /nfs/dbraw/zinc/66/37/21/587663721.db2.gz DCRUCSFNRMHZTH-ZMLRMANQSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000832554702 587666055 /nfs/dbraw/zinc/66/60/55/587666055.db2.gz QALYCEOOGBQCAG-QWRGUYRKSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@H]([NH3+])C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000832607230 587669079 /nfs/dbraw/zinc/66/90/79/587669079.db2.gz VAXUHPHICORIMS-NSHDSACASA-N 2 0 237.303 0.700 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C2CC2)CC[C@@H]1[NH3+] ZINC000832737461 587681327 /nfs/dbraw/zinc/68/13/27/587681327.db2.gz VSAQIUNRSLSDJB-DVVUODLYSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@@H]1CN(C(=O)c2cccc(C[NH3+])c2)CC[C@@H]1[NH3+] ZINC000832737514 587681502 /nfs/dbraw/zinc/68/15/02/587681502.db2.gz XEPDNFDIZNGGQR-MFKMUULPSA-N 2 0 247.342 0.955 20 0 BCADRP [NH3+][C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000832808938 587691481 /nfs/dbraw/zinc/69/14/81/587691481.db2.gz XOKPYSMPKFDZDK-GRYCIOLGSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000834437509 587755126 /nfs/dbraw/zinc/75/51/26/587755126.db2.gz CFEIPTMRPRPOKT-JTQLQIEISA-N 2 0 225.336 0.183 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000834437510 587755143 /nfs/dbraw/zinc/75/51/43/587755143.db2.gz CFEIPTMRPRPOKT-SNVBAGLBSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)c1cccc(C[NH3+])c1 ZINC000834452996 587755299 /nfs/dbraw/zinc/75/52/99/587755299.db2.gz MEKVCMMZAJIIIB-SECBINFHSA-N 2 0 221.304 0.612 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCCCC[NH3+] ZINC000834643164 587762505 /nfs/dbraw/zinc/76/25/05/587762505.db2.gz WHASOMRBZBBMTR-GHMZBOCLSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCCCC[NH3+] ZINC000834643168 587762603 /nfs/dbraw/zinc/76/26/03/587762603.db2.gz WHASOMRBZBBMTR-QWRGUYRKSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000834642603 587762615 /nfs/dbraw/zinc/76/26/15/587762615.db2.gz SNCAZYVRSRLPTJ-SRVKXCTJSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H](C)[NH2+]C2CC2)CC[C@@H]1[NH3+] ZINC000834646936 587762628 /nfs/dbraw/zinc/76/26/28/587762628.db2.gz KMNBLVFSSJOJBS-FOGDFJRCSA-N 2 0 239.363 0.713 20 0 BCADRP CCCCCC[N@H+](C)CC(=O)NC[C@@H](C)[NH3+] ZINC000834687113 587764355 /nfs/dbraw/zinc/76/43/55/587764355.db2.gz SJMGZAYAIBXBIW-LLVKDONJSA-N 2 0 229.368 0.962 20 0 BCADRP [NH3+]CCCCCC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000834698417 587764385 /nfs/dbraw/zinc/76/43/85/587764385.db2.gz FSMYJUBBCLRTIL-PHIMTYICSA-N 2 0 225.336 0.183 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000834791379 587767110 /nfs/dbraw/zinc/76/71/10/587767110.db2.gz IOVCYNSFWPUUTN-LLVKDONJSA-N 2 0 239.363 0.764 20 0 BCADRP [NH3+]CCCCCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000834797360 587767179 /nfs/dbraw/zinc/76/71/79/587767179.db2.gz WXOBYRRSXGIDCV-UWVGGRQHSA-N 2 0 231.315 0.322 20 0 BCADRP [NH3+][C@@H](CC(=O)N[C@@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000834791658 587767269 /nfs/dbraw/zinc/76/72/69/587767269.db2.gz QZCAQLOKKHQZAM-WDEREUQCSA-N 2 0 237.347 0.372 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000834791297 587767312 /nfs/dbraw/zinc/76/73/12/587767312.db2.gz GRLFLYUYLRFALL-MWLCHTKSSA-N 2 0 237.347 0.385 20 0 BCADRP [NH3+]CC[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)C(F)F ZINC000834832663 587768302 /nfs/dbraw/zinc/76/83/02/587768302.db2.gz YDUIKSBWNZGNGO-SFYZADRCSA-N 2 0 235.278 0.213 20 0 BCADRP CC[C@](C)(CC(=O)OC)[NH2+]CCC[NH3+] ZINC000841011274 587935250 /nfs/dbraw/zinc/93/52/50/587935250.db2.gz GTSTWGRCUYBAOL-SNVBAGLBSA-N 2 0 202.298 0.657 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CC(=O)N(C)C[C@@H]2C)CC[NH2+]1 ZINC000841020309 587935575 /nfs/dbraw/zinc/93/55/75/587935575.db2.gz WDZPAPZGWGMHDZ-WOPDTQHZSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H](C[NH3+])NC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000841725591 587973083 /nfs/dbraw/zinc/97/30/83/587973083.db2.gz NRFBEEWWZYHMTN-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H](CNC(=O)N(C)CC[NH3+])[NH+]1CCCCC1 ZINC000841725311 587973332 /nfs/dbraw/zinc/97/33/32/587973332.db2.gz LROINKIBULLHEW-LLVKDONJSA-N 2 0 242.367 0.461 20 0 BCADRP C[C@@H](CNC(=O)NCC[NH3+])[NH+]1CCCCC1 ZINC000841724462 587973362 /nfs/dbraw/zinc/97/33/62/587973362.db2.gz FYEAQJIMMUXVLO-JTQLQIEISA-N 2 0 228.340 0.119 20 0 BCADRP CN(C(=O)[C@]1(F)CC[NH2+]C1)C1(C[NH3+])CCC1 ZINC000841852016 587975765 /nfs/dbraw/zinc/97/57/65/587975765.db2.gz BVIDZDGUAGXNQR-NSHDSACASA-N 2 0 229.299 0.028 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000841848303 587977193 /nfs/dbraw/zinc/97/71/93/587977193.db2.gz BYUNFTMATYUNST-GHMZBOCLSA-N 2 0 227.352 0.603 20 0 BCADRP [NH3+][C@H](CC(=O)NC[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000841845522 587977212 /nfs/dbraw/zinc/97/72/12/587977212.db2.gz BOVANDMRRUTOSH-WDEREUQCSA-N 2 0 225.336 0.372 20 0 BCADRP CCCN(C(=O)C[C@H]([NH3+])C1CC1)[C@H]1CC[NH2+]C1 ZINC000841847698 587977368 /nfs/dbraw/zinc/97/73/68/587977368.db2.gz HOPCNKWWJWJQEY-RYUDHWBXSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1CN(C(=O)c2cccc(C[NH3+])c2)[C@@H](C)C[NH2+]1 ZINC000841849490 587977718 /nfs/dbraw/zinc/97/77/18/587977718.db2.gz XRKUYZDERRQJEM-QWRGUYRKSA-N 2 0 247.342 0.968 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000841850210 587977767 /nfs/dbraw/zinc/97/77/67/587977767.db2.gz DYUMSMFUCQLLQZ-XVKPBYJWSA-N 2 0 241.722 0.803 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH2+]CC1(C)C ZINC000841849135 587977922 /nfs/dbraw/zinc/97/79/22/587977922.db2.gz WFTLGIXVVSONIU-SECBINFHSA-N 2 0 225.336 0.337 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000841849184 587977927 /nfs/dbraw/zinc/97/79/27/587977927.db2.gz AHQFYPIXCQPYSH-NWDGAFQWSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000841849186 587977943 /nfs/dbraw/zinc/97/79/43/587977943.db2.gz AHQFYPIXCQPYSH-VXGBXAGGSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH2+]CC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000841849609 587978000 /nfs/dbraw/zinc/97/80/00/587978000.db2.gz CUUXGJZHMQHJEG-UHFFFAOYSA-N 2 0 235.331 0.583 20 0 BCADRP O=C(N(C1CC1)[C@@H]1CC[NH2+]C1)[C@@]1(F)CC[NH2+]C1 ZINC000841848628 587978005 /nfs/dbraw/zinc/97/80/05/587978005.db2.gz SUFYJZZHKRBFRT-ZYHUDNBSSA-N 2 0 241.310 0.041 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)CC[C@@H]2CCC[NH2+]2)[C@@H]1C ZINC000841850242 587978010 /nfs/dbraw/zinc/97/80/10/587978010.db2.gz GGZQTZVBUQHMRD-UTUOFQBUSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H](C)[NH2+]C2CC2)CC[NH2+]1 ZINC000841850668 587978188 /nfs/dbraw/zinc/97/81/88/587978188.db2.gz BKTCDNUTOWGOBB-ZYHUDNBSSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)c2cccc(C[NH3+])c2)[C@H]1C ZINC000841850422 587978345 /nfs/dbraw/zinc/97/83/45/587978345.db2.gz SQNCBINXAGDNGB-QWRGUYRKSA-N 2 0 247.342 0.968 20 0 BCADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@]1(F)CC[NH2+]C1 ZINC000841852156 587978361 /nfs/dbraw/zinc/97/83/61/587978361.db2.gz GGUQXUSENNWVIA-ZDUSSCGKSA-N 2 0 249.289 0.930 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)CC[NH2+]1 ZINC000841851262 587978536 /nfs/dbraw/zinc/97/85/36/587978536.db2.gz KBMOTSPJDYDONA-NWDGAFQWSA-N 2 0 239.363 0.570 20 0 BCADRP CCNC(=O)C[N@H+](C)CCCCCCC[NH3+] ZINC000842471868 588029085 /nfs/dbraw/zinc/02/90/85/588029085.db2.gz DJVVETVODMSSDD-UHFFFAOYSA-N 2 0 229.368 0.964 20 0 BCADRP C[C@H]1CCN(C(=O)CCCCC[NH3+])C[C@H]1C[NH3+] ZINC000842508915 588031647 /nfs/dbraw/zinc/03/16/47/588031647.db2.gz FPGUFHPZCCCPFE-NWDGAFQWSA-N 2 0 241.379 0.949 20 0 BCADRP [NH3+]CCCCCC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842513654 588032279 /nfs/dbraw/zinc/03/22/79/588032279.db2.gz OSSQSNZINOUQAT-ZDUSSCGKSA-N 2 0 239.363 0.860 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842513089 588032287 /nfs/dbraw/zinc/03/22/87/588032287.db2.gz RSQXWQJAACEYRS-DGCLKSJQSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)o1 ZINC000842514628 588032295 /nfs/dbraw/zinc/03/22/95/588032295.db2.gz ZFFMXFMGMUSCFT-ZDUSSCGKSA-N 2 0 249.314 0.706 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CCC1 ZINC000842511147 588032326 /nfs/dbraw/zinc/03/23/26/588032326.db2.gz BCDYDYJBLLCFSM-ZDUSSCGKSA-N 2 0 237.347 0.612 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842511312 588032420 /nfs/dbraw/zinc/03/24/20/588032420.db2.gz BYTXCKKLNZZBKE-CYBMUJFWSA-N 2 0 237.347 0.341 20 0 BCADRP O=C1OCC[C@H]1[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843386021 588105366 /nfs/dbraw/zinc/10/53/66/588105366.db2.gz GXRZIQYYCSPHGI-SNVBAGLBSA-N 2 0 224.304 0.377 20 0 BCADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843474659 588114070 /nfs/dbraw/zinc/11/40/70/588114070.db2.gz UXPVCBACLJBMRU-NMKXLXIOSA-N 2 0 249.358 0.339 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)CCCCC[NH3+] ZINC000843483989 588114508 /nfs/dbraw/zinc/11/45/08/588114508.db2.gz GPIVCFXCFNQOLU-JTQLQIEISA-N 2 0 227.352 0.762 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000843490734 588115716 /nfs/dbraw/zinc/11/57/16/588115716.db2.gz XFPGEZYFTYKXOX-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000843502394 588116546 /nfs/dbraw/zinc/11/65/46/588116546.db2.gz ZGVVPHQLDAAKLO-DCQANWLSSA-N 2 0 235.331 0.091 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000843500973 588116691 /nfs/dbraw/zinc/11/66/91/588116691.db2.gz FQXTTXDVOPZAEW-CYBMUJFWSA-N 2 0 239.363 0.858 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCCCCC[NH3+] ZINC000843505804 588117194 /nfs/dbraw/zinc/11/71/94/588117194.db2.gz NOWSUKURYALKLC-MNOVXSKESA-N 2 0 229.368 0.995 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCCCCCC[NH3+] ZINC000843505700 588117355 /nfs/dbraw/zinc/11/73/55/588117355.db2.gz JBTHXYPFBCOACP-SNVBAGLBSA-N 2 0 215.341 0.477 20 0 BCADRP [NH3+]CCCCCCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000843512465 588117575 /nfs/dbraw/zinc/11/75/75/588117575.db2.gz MIKMMMNFNLHVAM-NSHDSACASA-N 2 0 227.352 0.621 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000844169913 588171359 /nfs/dbraw/zinc/17/13/59/588171359.db2.gz DUNNBYDHNCZONN-NSHDSACASA-N 2 0 231.315 0.146 20 0 BCADRP CCC[NH+]1CCC(CNC(=O)C[NH2+]CC)CC1 ZINC000844177163 588172193 /nfs/dbraw/zinc/17/21/93/588172193.db2.gz GXPBMFMDQJSESG-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP CC[NH2+]CC(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000844183422 588172447 /nfs/dbraw/zinc/17/24/47/588172447.db2.gz ACYMHZKXAOVMKO-UHFFFAOYSA-N 2 0 245.286 0.815 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000844178337 588172458 /nfs/dbraw/zinc/17/24/58/588172458.db2.gz PKRIHSBXQPDOGP-PWSUYJOCSA-N 2 0 243.326 0.146 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CN(CCCCCC[NH3+])CCO1 ZINC000846217740 588260490 /nfs/dbraw/zinc/26/04/90/588260490.db2.gz NWDSLTCQZUBECU-VXGBXAGGSA-N 3 0 229.368 0.554 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000846221493 588261107 /nfs/dbraw/zinc/26/11/07/588261107.db2.gz ZGMBGKNHLYDARF-GXTWGEPZSA-N 2 0 249.358 0.841 20 0 BCADRP COCCN1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846222778 588261657 /nfs/dbraw/zinc/26/16/57/588261657.db2.gz ZMUZHOVTWNKLDZ-UHFFFAOYSA-N 2 0 243.395 0.770 20 0 BCADRP [NH3+]CCCCCC(=O)NCCC1(C[NH3+])CC1 ZINC000846691322 588283212 /nfs/dbraw/zinc/28/32/12/588283212.db2.gz GQGBZFKEYOGJRF-UHFFFAOYSA-N 2 0 227.352 0.751 20 0 BCADRP CC[NH2+]CC(=O)NCc1ccccc1C[NH2+]C ZINC000846692217 588283251 /nfs/dbraw/zinc/28/32/51/588283251.db2.gz QTSGCEFSDVSQGD-UHFFFAOYSA-N 2 0 235.331 0.632 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000846743491 588284123 /nfs/dbraw/zinc/28/41/23/588284123.db2.gz ZLUDOCYVFABDNP-KKZNHRDASA-N 2 0 229.299 0.026 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000848393592 588376522 /nfs/dbraw/zinc/37/65/22/588376522.db2.gz HNJKCNKOYXTVLB-JTQLQIEISA-N 2 0 235.331 0.412 20 0 BCADRP [NH3+]CCCCCCNC(=O)CC[NH2+]C1CC1 ZINC000848430464 588384133 /nfs/dbraw/zinc/38/41/33/588384133.db2.gz MNKYKJCEWVEVCP-UHFFFAOYSA-N 2 0 227.352 0.764 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848722353 588408558 /nfs/dbraw/zinc/40/85/58/588408558.db2.gz SLGNIPOBDFQHAK-IQJOONFLSA-N 2 0 241.335 0.685 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)C2CC2)C1 ZINC000848722926 588409013 /nfs/dbraw/zinc/40/90/13/588409013.db2.gz UETYMPJSKJPFTM-NXEZZACHSA-N 2 0 246.376 0.423 20 0 BCADRP COCCNC(=[NH2+])NCC1([NH+](C)C)CCCC1 ZINC000848981312 588423674 /nfs/dbraw/zinc/42/36/74/588423674.db2.gz XRGPQRLVBUWYJQ-UHFFFAOYSA-N 2 0 242.367 0.621 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=[NH2+])NC1CCC1 ZINC000848981727 588424031 /nfs/dbraw/zinc/42/40/31/588424031.db2.gz ZYTRMUHFXJMQBV-UHFFFAOYSA-N 2 0 212.341 0.993 20 0 BCADRP C[C@@H]1C[NH+](CCCNC(=[NH2+])N(C)C)C[C@@H](C)O1 ZINC000848983609 588424596 /nfs/dbraw/zinc/42/45/96/588424596.db2.gz VWBNVMYNYKJCHE-GHMZBOCLSA-N 2 0 242.367 0.572 20 0 BCADRP CC(C)[C@@H](CNC1=[NH+]CCN1C)[NH+]1CCCC1 ZINC000848984173 588424740 /nfs/dbraw/zinc/42/47/40/588424740.db2.gz VXMRVHSNTPZCJB-GFCCVEGCSA-N 2 0 238.379 0.998 20 0 BCADRP CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000848986947 588425530 /nfs/dbraw/zinc/42/55/30/588425530.db2.gz BPSRWALHOWPIGC-NXEZZACHSA-N 2 0 212.341 0.851 20 0 BCADRP CCNC(=[NH2+])NCC[NH+]1CCC(OC)CC1 ZINC000848993270 588427839 /nfs/dbraw/zinc/42/78/39/588427839.db2.gz SEUYIMHBGUPFBD-UHFFFAOYSA-N 2 0 228.340 0.231 20 0 BCADRP C[C@@H]1CN(C(=[NH2+])NC[C@H]2CC[N@H+](C)C2)CCO1 ZINC000848992784 588427877 /nfs/dbraw/zinc/42/78/77/588427877.db2.gz ULDDBMDUVDGBIO-GHMZBOCLSA-N 2 0 240.351 0.183 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCC2)C1 ZINC000848992602 588427953 /nfs/dbraw/zinc/42/79/53/588427953.db2.gz MMVPWGWWFHQGEX-SNVBAGLBSA-N 2 0 210.325 0.558 20 0 BCADRP COCCNC(=[NH2+])NCCC[NH2+]C(C)(C)C ZINC000848994107 588428321 /nfs/dbraw/zinc/42/83/21/588428321.db2.gz RRBUEDUXOWEYSF-UHFFFAOYSA-N 2 0 230.356 0.525 20 0 BCADRP CC[C@H](C)NC(=[NH2+])NCCNc1cc[nH+]cc1 ZINC000848995213 588428434 /nfs/dbraw/zinc/42/84/34/588428434.db2.gz GVGHWAVKBBWHMW-JTQLQIEISA-N 2 0 235.335 0.828 20 0 BCADRP [NH2+]=C(NCCNc1cc[nH+]cc1)NC1CCCC1 ZINC000848995187 588428487 /nfs/dbraw/zinc/42/84/87/588428487.db2.gz CMDJOPMYCYZQAL-UHFFFAOYSA-N 2 0 247.346 0.972 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCC2)C1 ZINC000848996240 588428956 /nfs/dbraw/zinc/42/89/56/588428956.db2.gz MVJOKQPTPYPZMK-LLVKDONJSA-N 2 0 224.352 0.947 20 0 BCADRP CC[NH+]1CCC(CNC(=[NH2+])N(C)C)CC1 ZINC000848996192 588429063 /nfs/dbraw/zinc/42/90/63/588429063.db2.gz MIZJMWLHBRETHR-UHFFFAOYSA-N 2 0 212.341 0.804 20 0 BCADRP CC[NH+]1CCC(CNC(=[NH2+])N2CCC2)CC1 ZINC000848996123 588429303 /nfs/dbraw/zinc/42/93/03/588429303.db2.gz IDADTZXEPQYDLQ-UHFFFAOYSA-N 2 0 224.352 0.948 20 0 BCADRP CC[N@H+](CCNC(=[NH2+])N(C)C)C(C)C ZINC000849001057 588430798 /nfs/dbraw/zinc/43/07/98/588430798.db2.gz WWYDDNKZTLCQIN-UHFFFAOYSA-N 2 0 200.330 0.803 20 0 BCADRP CC(C)[N@H+](C)CCNC(=[NH2+])NC1CCC1 ZINC000849000951 588430968 /nfs/dbraw/zinc/43/09/68/588430968.db2.gz IHBQCKLFSGKEJO-UHFFFAOYSA-N 2 0 212.341 0.993 20 0 BCADRP CCNC(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000849004602 588431862 /nfs/dbraw/zinc/43/18/62/588431862.db2.gz PXKZTYPELQPCDG-UHFFFAOYSA-N 2 0 241.383 0.146 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=[NH2+])N2CCOCC2)C1 ZINC000849004731 588432090 /nfs/dbraw/zinc/43/20/90/588432090.db2.gz XSMPFQJXAPFFLQ-NSHDSACASA-N 2 0 240.351 0.185 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=[NH2+])N2CCC2)C1 ZINC000849004676 588432125 /nfs/dbraw/zinc/43/21/25/588432125.db2.gz VMVQOCHRUMHMNF-JTQLQIEISA-N 2 0 210.325 0.558 20 0 BCADRP CN(C)C(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000849004759 588432282 /nfs/dbraw/zinc/43/22/82/588432282.db2.gz ZMDPLPPFOUXKLK-UHFFFAOYSA-N 2 0 241.383 0.098 20 0 BCADRP CCCC[N@H+](C)CCNC(=[NH2+])NCC ZINC000849005420 588432367 /nfs/dbraw/zinc/43/23/67/588432367.db2.gz DCQAHNWLFMAHTK-UHFFFAOYSA-N 2 0 200.330 0.852 20 0 BCADRP CNC(=[NH2+])NCC1([NH+]2CCCC2)CCOCC1 ZINC000849006238 588432459 /nfs/dbraw/zinc/43/24/59/588432459.db2.gz MEIYTPXATLXGEC-UHFFFAOYSA-N 2 0 240.351 0.375 20 0 BCADRP CCNC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1CC ZINC000849006007 588432613 /nfs/dbraw/zinc/43/26/13/588432613.db2.gz KMCILOLFACBBJD-JTQLQIEISA-N 2 0 212.341 0.995 20 0 BCADRP COCCNC(=[NH2+])NCC[N@H+](C)C1CCCC1 ZINC000849006201 588432617 /nfs/dbraw/zinc/43/26/17/588432617.db2.gz GRKHEQSRYDQQOA-UHFFFAOYSA-N 2 0 242.367 0.621 20 0 BCADRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])NC(C)C ZINC000849012188 588435492 /nfs/dbraw/zinc/43/54/92/588435492.db2.gz QTCRVLKCDYCEAA-LLVKDONJSA-N 2 0 244.383 0.866 20 0 BCADRP CC[NH+](CC)CCOCCNC(=[NH2+])N(C)C ZINC000849018404 588438071 /nfs/dbraw/zinc/43/80/71/588438071.db2.gz RGYCNKOMOBUTMT-UHFFFAOYSA-N 2 0 230.356 0.431 20 0 BCADRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])N2CCCCC2)C1 ZINC000849019076 588438173 /nfs/dbraw/zinc/43/81/73/588438173.db2.gz GMVCRKHBGXGYQF-LBPRGKRZSA-N 2 0 240.351 0.063 20 0 BCADRP CNC(=[NH2+])NCC[N@@H+]1CCCC(C)(C)C1 ZINC000849023204 588439640 /nfs/dbraw/zinc/43/96/40/588439640.db2.gz YDEATPMZJFWKPU-UHFFFAOYSA-N 2 0 212.341 0.852 20 0 BCADRP CCNC(=[NH2+])NCCCC[N@H+](C)C1CC1 ZINC000849039865 588447065 /nfs/dbraw/zinc/44/70/65/588447065.db2.gz VIACRRWEUPOIKC-UHFFFAOYSA-N 2 0 212.341 0.995 20 0 BCADRP CN(C)C(=[NH2+])NCCCC[N@H+](C)C1CC1 ZINC000849039784 588447251 /nfs/dbraw/zinc/44/72/51/588447251.db2.gz RNQTZLPSANCCAE-UHFFFAOYSA-N 2 0 212.341 0.947 20 0 BCADRP COCCNC(=[NH2+])NCC[C@H]1CCC[N@H+](C)C1 ZINC000849041655 588448398 /nfs/dbraw/zinc/44/83/98/588448398.db2.gz UWMMEBGZLQSRSB-LLVKDONJSA-N 2 0 242.367 0.479 20 0 BCADRP COCCNC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849048974 588451438 /nfs/dbraw/zinc/45/14/38/588451438.db2.gz KGDJXDKKQHTWMG-AOOOYVTPSA-N 2 0 228.340 0.087 20 0 BCADRP C[C@]1(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)CC[NH2+]C1 ZINC000849350426 588474833 /nfs/dbraw/zinc/47/48/33/588474833.db2.gz OMRSMNIRUKNJMQ-AWEZNQCLSA-N 2 0 249.358 0.856 20 0 BCADRP C[C@@H](Cn1cncn1)[NH2+]CCN1CCC[C@@H]1C ZINC000850440124 588546777 /nfs/dbraw/zinc/54/67/77/588546777.db2.gz WOIVUVRIMIYLCK-RYUDHWBXSA-N 2 0 237.351 0.741 20 0 BCADRP CON(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000850477441 588549093 /nfs/dbraw/zinc/54/90/93/588549093.db2.gz GPINTFVEBGCOFJ-XQQFMLRXSA-N 2 0 241.379 0.942 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CCN(C)OC)[C@@H](C)C1 ZINC000850480359 588550792 /nfs/dbraw/zinc/55/07/92/588550792.db2.gz QGXLQAALRPQFES-RYUDHWBXSA-N 2 0 229.368 0.800 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000851638400 588612390 /nfs/dbraw/zinc/61/23/90/588612390.db2.gz DLNFCWZZVSWVPS-GFCCVEGCSA-N 2 0 225.336 0.339 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000851638401 588612649 /nfs/dbraw/zinc/61/26/49/588612649.db2.gz DLNFCWZZVSWVPS-LBPRGKRZSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]CCN(C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000851678063 588614575 /nfs/dbraw/zinc/61/45/75/588614575.db2.gz NWLZDBBGXVRXEN-SNVBAGLBSA-N 2 0 230.356 0.221 20 0 BCADRP C([C@H]1C[NH2+]CCO1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000852747892 588699644 /nfs/dbraw/zinc/69/96/44/588699644.db2.gz ASBFQOPVVPJVJM-OLZOCXBDSA-N 2 0 239.363 0.050 20 0 BCADRP C[NH2+]CCN(C)Cc1cccc2c1CC[NH2+]C2 ZINC000852749913 588700061 /nfs/dbraw/zinc/70/00/61/588700061.db2.gz RNRRHFUJCVTSNO-UHFFFAOYSA-N 2 0 233.359 0.984 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000852795705 588703439 /nfs/dbraw/zinc/70/34/39/588703439.db2.gz ZWLNQIUJKJKSHH-AXFHLTTASA-N 2 0 225.336 0.311 20 0 BCADRP C[C@H]1CN(C(=O)C=C2CC[NH2+]CC2)CC[NH2+]1 ZINC000852796517 588703446 /nfs/dbraw/zinc/70/34/46/588703446.db2.gz DNWRWPIOFGCNOJ-JTQLQIEISA-N 2 0 223.320 0.117 20 0 BCADRP [NH3+]CCOc1cccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)c1 ZINC000852796466 588703492 /nfs/dbraw/zinc/70/34/92/588703492.db2.gz TXYZSYRUDRJSLB-MGCOHNPYSA-N 2 0 249.314 0.700 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000852798424 588703750 /nfs/dbraw/zinc/70/37/50/588703750.db2.gz JKHOLYNUTXGRSA-ILDUYXDCSA-N 2 0 227.352 0.713 20 0 BCADRP CC[N@H+](CCNC(=O)C[NH2+]C(C)C)C(C)C ZINC000852801487 588704712 /nfs/dbraw/zinc/70/47/12/588704712.db2.gz NEEOBWGQFQODMQ-UHFFFAOYSA-N 2 0 229.368 0.831 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1[NH2+]CC12CCCC2 ZINC000852825324 588705925 /nfs/dbraw/zinc/70/59/25/588705925.db2.gz NXSHHPSDYRKWKJ-VIFPVBQESA-N 2 0 225.336 0.372 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1[NH2+]CC12CCCC2 ZINC000852825153 588706179 /nfs/dbraw/zinc/70/61/79/588706179.db2.gz LAEJAXIMPUQZDT-QWRGUYRKSA-N 2 0 237.347 0.387 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000852828690 588706315 /nfs/dbraw/zinc/70/63/15/588706315.db2.gz NUQQHQQXXTVZCT-ZETCQYMHSA-N 2 0 239.344 0.471 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000852832545 588706731 /nfs/dbraw/zinc/70/67/31/588706731.db2.gz NDYGIWVRRIJVFH-YUMQZZPRSA-N 2 0 235.278 0.098 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000852833019 588706855 /nfs/dbraw/zinc/70/68/55/588706855.db2.gz SPPNVWVYYKRAGO-DJLDLDEBSA-N 2 0 247.289 0.227 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852834704 588706967 /nfs/dbraw/zinc/70/69/67/588706967.db2.gz XKAZTQKCHJIGGV-JQWIXIFHSA-N 2 0 225.336 0.339 20 0 BCADRP CN(Cc1c[nH]cn1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000852837120 588707135 /nfs/dbraw/zinc/70/71/35/588707135.db2.gz QDMVSFSYCAKSOF-JTQLQIEISA-N 2 0 222.292 0.496 20 0 BCADRP [NH3+][C@H](CC(=O)NCC1([NH3+])CCCC1)C1CC1 ZINC000852851766 588708378 /nfs/dbraw/zinc/70/83/78/588708378.db2.gz IJPUVBOESXMUOG-SNVBAGLBSA-N 2 0 225.336 0.502 20 0 BCADRP C[C@@H]1CCN(C(=O)C[C@H]([NH3+])C2CC2)[C@H](C[NH3+])C1 ZINC000852863352 588709046 /nfs/dbraw/zinc/70/90/46/588709046.db2.gz MTKZPHDSJLJIRY-USWWRNFRSA-N 2 0 239.363 0.700 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1C[C@H]([NH3+])C1)C(C)C ZINC000852865238 588709509 /nfs/dbraw/zinc/70/95/09/588709509.db2.gz WPYSLKIUEMRCKF-XYPYZODXSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C=C3CC[NH2+]CC3)C[C@@H]12 ZINC000852875767 588710109 /nfs/dbraw/zinc/71/01/09/588710109.db2.gz PCTCWKULQUCVSD-JHJVBQTASA-N 2 0 249.358 0.492 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000852878281 588710774 /nfs/dbraw/zinc/71/07/74/588710774.db2.gz NYVDSWLHZDLJRE-NQBHXWOUSA-N 2 0 237.347 0.326 20 0 BCADRP CC1(C)CN(C(=O)C=C2CC[NH2+]CC2)CC[NH2+]1 ZINC000852882900 588710819 /nfs/dbraw/zinc/71/08/19/588710819.db2.gz RMCYJKXLXRCBBF-UHFFFAOYSA-N 2 0 237.347 0.507 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000852880499 588710957 /nfs/dbraw/zinc/71/09/57/588710957.db2.gz ATJPSTPTGHCRNM-QWRGUYRKSA-N 2 0 241.310 0.112 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)C=C1CC[NH2+]CC1 ZINC000852882055 588711078 /nfs/dbraw/zinc/71/10/78/588711078.db2.gz WSBMXSCOKWODIE-NSHDSACASA-N 2 0 239.363 0.930 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)C=C1CC[NH2+]CC1 ZINC000852882807 588711243 /nfs/dbraw/zinc/71/12/43/588711243.db2.gz QKOYVUNYZHQXOM-LLVKDONJSA-N 2 0 237.347 0.553 20 0 BCADRP CN(C(=O)C=C1CC[NH2+]CC1)[C@@H](C[NH3+])C1CC1 ZINC000852891612 588711698 /nfs/dbraw/zinc/71/16/98/588711698.db2.gz UEKHACFVDXXLHW-LBPRGKRZSA-N 2 0 237.347 0.492 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCCCCCC[NH3+] ZINC000852894196 588711786 /nfs/dbraw/zinc/71/17/86/588711786.db2.gz HNGZHSJKTJEPDA-JTQLQIEISA-N 2 0 215.341 0.620 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000852893099 588711805 /nfs/dbraw/zinc/71/18/05/588711805.db2.gz QWYBPJQGYYLICB-CKYFFXLPSA-N 2 0 223.320 0.078 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000852891972 588711869 /nfs/dbraw/zinc/71/18/69/588711869.db2.gz DCTAURDSNWCQFA-LBPRGKRZSA-N 2 0 223.320 0.222 20 0 BCADRP C[C@@]1(NC(=O)CCCCC[NH3+])CC[NH2+]C1 ZINC000852926910 588713904 /nfs/dbraw/zinc/71/39/04/588713904.db2.gz AZUNTFJYFWHIRQ-LLVKDONJSA-N 2 0 213.325 0.374 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000861568339 589167672 /nfs/dbraw/zinc/16/76/72/589167672.db2.gz ZZYXLGYGPGYWCM-ZJUUUORDSA-N 2 0 230.356 0.315 20 0 BCADRP CC[N@H+](CCNC(=O)N(C)C[C@@H](C)[NH3+])C(C)C ZINC000861569971 589168496 /nfs/dbraw/zinc/16/84/96/589168496.db2.gz IHWCVEIZLMSBJP-LLVKDONJSA-N 2 0 244.383 0.705 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861571952 589168524 /nfs/dbraw/zinc/16/85/24/589168524.db2.gz KEQFONQQZGUREE-GHMZBOCLSA-N 2 0 244.383 0.705 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000861564033 589168527 /nfs/dbraw/zinc/16/85/27/589168527.db2.gz HBNPJVGYQJOXGJ-UWVGGRQHSA-N 2 0 228.340 0.069 20 0 BCADRP CC[N@H+](CCNC(=O)N(C)C[C@@H](C)[NH3+])C1CC1 ZINC000861569787 589168570 /nfs/dbraw/zinc/16/85/70/589168570.db2.gz DVCQYSYJAKUWNS-SNVBAGLBSA-N 2 0 242.367 0.459 20 0 BCADRP CC[N@H+](CCNC(=O)N(C)C[C@H](C)[NH3+])C(C)C ZINC000861569972 589168612 /nfs/dbraw/zinc/16/86/12/589168612.db2.gz IHWCVEIZLMSBJP-NSHDSACASA-N 2 0 244.383 0.705 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000861582476 589169001 /nfs/dbraw/zinc/16/90/01/589169001.db2.gz XDPYNZIYBGOGFP-VHSXEESVSA-N 2 0 240.351 0.212 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000861642588 589172448 /nfs/dbraw/zinc/17/24/48/589172448.db2.gz BPFABNFKCRKBBZ-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000861643723 589172477 /nfs/dbraw/zinc/17/24/77/589172477.db2.gz ZDFOMQSKTPZKFX-AEJSXWLSSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@H](C)CCC[NH3+] ZINC000861645239 589172884 /nfs/dbraw/zinc/17/28/84/589172884.db2.gz ZJYRSMJCBPCXMJ-RKDXNWHRSA-N 2 0 216.329 0.102 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000861647842 589173023 /nfs/dbraw/zinc/17/30/23/589173023.db2.gz NCBOFMIPPTVYBL-YIZRAAEISA-N 2 0 216.329 0.101 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861658890 589173575 /nfs/dbraw/zinc/17/35/75/589173575.db2.gz QEQFTPSUZGIIPY-VHSXEESVSA-N 2 0 240.351 0.260 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861669946 589173894 /nfs/dbraw/zinc/17/38/94/589173894.db2.gz AVVRZMPEDFLQAY-LPEHRKFASA-N 2 0 228.340 0.116 20 0 BCADRP CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000863546156 589295783 /nfs/dbraw/zinc/29/57/83/589295783.db2.gz FAZCDOYDCOBNMB-IWSPIJDZSA-N 2 0 217.313 0.110 20 0 BCADRP CCn1ncc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000863540861 589296458 /nfs/dbraw/zinc/29/64/58/589296458.db2.gz USVJZUYRLGEIAA-GRYCIOLGSA-N 2 0 249.362 0.776 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ncc[nH]1 ZINC000863544272 589297240 /nfs/dbraw/zinc/29/72/40/589297240.db2.gz PMOJGCWVFVZDIY-SECBINFHSA-N 2 0 212.297 0.296 20 0 BCADRP COC(=O)C1=CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000863541888 589297296 /nfs/dbraw/zinc/29/72/96/589297296.db2.gz LVADZQQAZCLPHJ-QXEWZRGKSA-N 2 0 226.320 0.964 20 0 BCADRP CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000863546152 589298058 /nfs/dbraw/zinc/29/80/58/589298058.db2.gz FAZCDOYDCOBNMB-HRDYMLBCSA-N 2 0 217.313 0.110 20 0 BCADRP CON(C)C(=O)[C@@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000863545756 589298115 /nfs/dbraw/zinc/29/81/15/589298115.db2.gz BCTFFSSCYADWBA-BBBLOLIVSA-N 2 0 229.324 0.254 20 0 BCADRP CC[C@@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)[NH+](C)C ZINC000863584811 589301554 /nfs/dbraw/zinc/30/15/54/589301554.db2.gz DWEWQYGYQMAUIB-IUCAKERBSA-N 2 0 249.305 0.440 20 0 BCADRP CC[C@@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[NH+](C)C ZINC000863584810 589301743 /nfs/dbraw/zinc/30/17/43/589301743.db2.gz DWEWQYGYQMAUIB-DTWKUNHWSA-N 2 0 249.305 0.440 20 0 BCADRP CC[C@@H](C(=O)N1CCC[C@H](C[NH3+])C1)[NH+](C)C ZINC000863585257 589302144 /nfs/dbraw/zinc/30/21/44/589302144.db2.gz SYQZKDDWJJLZHQ-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000863972756 589331200 /nfs/dbraw/zinc/33/12/00/589331200.db2.gz OXWJRTVJAHZLMM-WISYIIOYSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1 ZINC000864456579 589367246 /nfs/dbraw/zinc/36/72/46/589367246.db2.gz JPSPENXDHGTUAN-GMTAPVOTSA-N 2 0 224.352 0.851 20 0 BCADRP C[C@H]1C[C@@H]1NC(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1 ZINC000864456682 589367515 /nfs/dbraw/zinc/36/75/15/589367515.db2.gz JPSPENXDHGTUAN-VWYCJHECSA-N 2 0 224.352 0.851 20 0 BCADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000864458578 589368277 /nfs/dbraw/zinc/36/82/77/589368277.db2.gz OBGPDBDRLNDOBH-RKDXNWHRSA-N 2 0 212.341 0.897 20 0 BCADRP CCC(CC)NC(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1 ZINC000864464038 589370058 /nfs/dbraw/zinc/37/00/58/589370058.db2.gz PLRKWZWOAXOQLV-LBPRGKRZSA-N 2 0 242.367 0.356 20 0 BCADRP C[C@H]1C[C@H]1NC(=[NH2+])NCC1([NH+](C)C)CCC1 ZINC000864463553 589370125 /nfs/dbraw/zinc/37/01/25/589370125.db2.gz IBKMVUYLYKDZLK-VHSXEESVSA-N 2 0 224.352 0.993 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000120390117 589409022 /nfs/dbraw/zinc/40/90/22/589409022.db2.gz SNNPCNWXTNOSLU-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H]1C[C@@H]([NH2+][C@H]2CCN(CC(C)(C)O)C2)CO1 ZINC000865658979 589454896 /nfs/dbraw/zinc/45/48/96/589454896.db2.gz BNPXSIXQBBINFJ-SDDRHHMPSA-N 2 0 242.363 0.599 20 0 BCADRP CC(C)(O)CN1CC[C@H]([NH2+]C2CCOCC2)C1 ZINC000865660338 589454985 /nfs/dbraw/zinc/45/49/85/589454985.db2.gz YJYBJNJHRIPPJQ-LBPRGKRZSA-N 2 0 242.363 0.600 20 0 BCADRP Cc1cc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)nc(N)[nH+]1 ZINC000866205539 589480202 /nfs/dbraw/zinc/48/02/02/589480202.db2.gz FLFPYNLMTHLZLE-GHMZBOCLSA-N 2 0 247.346 0.898 20 0 BCADRP C[NH2+]CCCNC(=O)CCCCCC[NH3+] ZINC000120968400 589482660 /nfs/dbraw/zinc/48/26/60/589482660.db2.gz NZVPPXSFCZRLGX-UHFFFAOYSA-N 2 0 215.341 0.621 20 0 BCADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000866706290 589514496 /nfs/dbraw/zinc/51/44/96/589514496.db2.gz HEASAFPCIXDBRH-GXFFZTMASA-N 2 0 239.363 0.572 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866719785 589515264 /nfs/dbraw/zinc/51/52/64/589515264.db2.gz DEGOPIXKROUBOT-SRVKXCTJSA-N 2 0 209.337 0.422 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000868012644 589544205 /nfs/dbraw/zinc/54/42/05/589544205.db2.gz JUCPOBJEQGSHKQ-ONGXEEELSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000868022490 589544502 /nfs/dbraw/zinc/54/45/02/589544502.db2.gz PZIKRHCNCBMBQR-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH2+]CC(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000868049397 589546934 /nfs/dbraw/zinc/54/69/34/589546934.db2.gz WKFBNLBIVYIPKI-NSHDSACASA-N 2 0 247.342 0.760 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870874134 589693564 /nfs/dbraw/zinc/69/35/64/589693564.db2.gz UYDDPGNVGBUFLM-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000870892831 589695047 /nfs/dbraw/zinc/69/50/47/589695047.db2.gz NDMSVVJZWIYGER-MXWKQRLJSA-N 2 0 227.352 0.665 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870913113 589696798 /nfs/dbraw/zinc/69/67/98/589696798.db2.gz QLBZGAMJKGFWJE-IRCOFANPSA-N 2 0 239.363 0.713 20 0 BCADRP CN(C(=O)[C@H]1CC[C@H]([NH3+])CC1)C1CC([NH3+])C1 ZINC000870944656 589697304 /nfs/dbraw/zinc/69/73/04/589697304.db2.gz JQTCVAHMPUSAKG-YMJNLTAUSA-N 2 0 225.336 0.452 20 0 BCADRP O=C(CCC12CC(C1)C[NH2+]2)NC1CC[NH2+]CC1 ZINC000870930765 589697646 /nfs/dbraw/zinc/69/76/46/589697646.db2.gz AOMCEQKFABTGCB-UHFFFAOYSA-N 2 0 237.347 0.387 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000870931613 589697683 /nfs/dbraw/zinc/69/76/83/589697683.db2.gz YIHOWFBUZPMECI-DCAQKATOSA-N 2 0 225.336 0.454 20 0 BCADRP O=C(CCC12CC(C1)C[NH2+]2)N[C@H]1CCC[NH2+]C1 ZINC000870933472 589698177 /nfs/dbraw/zinc/69/81/77/589698177.db2.gz ZKDLLTHYUFMXNO-AKJDGMEZSA-N 2 0 237.347 0.387 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000870933912 589698180 /nfs/dbraw/zinc/69/81/80/589698180.db2.gz ALZDMUTYQKMZIZ-SRVKXCTJSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870933905 589698267 /nfs/dbraw/zinc/69/82/67/589698267.db2.gz AKYUBFJKRQMITD-GUBZILKMSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000870935669 589698383 /nfs/dbraw/zinc/69/83/83/589698383.db2.gz BBHPGCCUFCCGIK-BBBLOLIVSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C[C@H](C)[NH2+]1 ZINC000870935708 589698386 /nfs/dbraw/zinc/69/83/86/589698386.db2.gz BLMPKCXAZMTRPY-JPYZYGQNSA-N 2 0 237.347 0.323 20 0 BCADRP CN(C(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@H]1CC[NH2+]C1 ZINC000870936192 589698522 /nfs/dbraw/zinc/69/85/22/589698522.db2.gz DCJAJTKPHXNQNM-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]C[C@@H](NC(=O)CCC12CC(C1)C[NH2+]2)C1CC1 ZINC000870938172 589698923 /nfs/dbraw/zinc/69/89/23/589698923.db2.gz YUPRGFDQXFOTCS-DMLGSKKGSA-N 2 0 237.347 0.372 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC000870936609 589698979 /nfs/dbraw/zinc/69/89/79/589698979.db2.gz NTVIPQUHFKKLSV-FIQHERPVSA-N 2 0 239.363 0.713 20 0 BCADRP CN(CCC[NH3+])C(=O)CC[NH2+]CC1CC1 ZINC000870936920 589699007 /nfs/dbraw/zinc/69/90/07/589699007.db2.gz GPFNHPADRDOKMN-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000870939752 589699144 /nfs/dbraw/zinc/69/91/44/589699144.db2.gz AQLWHGHDNGAZGP-JQWIXIFHSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870939141 589699163 /nfs/dbraw/zinc/69/91/63/589699163.db2.gz KWGVCORWGMTYQB-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000870939795 589699223 /nfs/dbraw/zinc/69/92/23/589699223.db2.gz CTABHKGGJCLZMK-ZTVLKNOQSA-N 2 0 237.347 0.500 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000870940231 589699371 /nfs/dbraw/zinc/69/93/71/589699371.db2.gz IRTHFPABXJBEPM-WYUUTHIRSA-N 2 0 239.363 0.890 20 0 BCADRP O=C(CCC12CC(C1)C[NH2+]2)NCC1=CC[NH2+]CC1 ZINC000870940519 589699499 /nfs/dbraw/zinc/69/94/99/589699499.db2.gz KDJJIJNNOFHRAG-UHFFFAOYSA-N 2 0 249.358 0.555 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870941358 589699536 /nfs/dbraw/zinc/69/95/36/589699536.db2.gz WBYHJFBGVAAXID-IRCOFANPSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000870944072 589699994 /nfs/dbraw/zinc/69/99/94/589699994.db2.gz BICRTTUSFINCTC-BJDJZHNGSA-N 2 0 239.363 0.748 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870944080 589700001 /nfs/dbraw/zinc/70/00/01/589700001.db2.gz BICRTTUSFINCTC-NNYUYHANSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870943034 589700127 /nfs/dbraw/zinc/70/01/27/589700127.db2.gz DRUBAIUJXKKCPJ-NAKRPEOUSA-N 2 0 225.336 0.452 20 0 BCADRP CN(C(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@@H](C[NH3+])C1CC1 ZINC000870945713 589700393 /nfs/dbraw/zinc/70/03/93/589700393.db2.gz NBGIXXSOKKAFOI-TUAOUCFPSA-N 2 0 239.363 0.700 20 0 BCADRP CN(C(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@H](C[NH3+])C1CC1 ZINC000870945707 589700456 /nfs/dbraw/zinc/70/04/56/589700456.db2.gz NBGIXXSOKKAFOI-GRYCIOLGSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000870947040 589700528 /nfs/dbraw/zinc/70/05/28/589700528.db2.gz WRYJYXYHUIUYLH-OPRDCNLKSA-N 2 0 213.325 0.167 20 0 BCADRP O=C(CC[NH2+]CC1CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000870945495 589700531 /nfs/dbraw/zinc/70/05/31/589700531.db2.gz URLIKXWSPBJJNO-NEPJUHHUSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870947396 589700799 /nfs/dbraw/zinc/70/07/99/589700799.db2.gz PDASQCSWRMQTTO-RGOKHQFPSA-N 2 0 213.325 0.356 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870947459 589700843 /nfs/dbraw/zinc/70/08/43/589700843.db2.gz PMZKKRNNFMHXLC-DCQANWLSSA-N 2 0 239.363 0.748 20 0 BCADRP [NH3+]CC1(CCNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000870949422 589700847 /nfs/dbraw/zinc/70/08/47/589700847.db2.gz FHIJRVPFXXDIDT-PHIMTYICSA-N 2 0 239.363 0.749 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000870956670 589701530 /nfs/dbraw/zinc/70/15/30/589701530.db2.gz CSJKFUMJWDDIOV-VOZVASTJSA-N 2 0 237.347 0.372 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000870963378 589701965 /nfs/dbraw/zinc/70/19/65/589701965.db2.gz MFWZERMYAGARFW-UKKRHICBSA-N 2 0 225.336 0.357 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000870965166 589702157 /nfs/dbraw/zinc/70/21/57/589702157.db2.gz MZUMMMHJNRVBEG-SWZMTVOYSA-N 2 0 245.326 0.757 20 0 BCADRP [NH3+]C[C@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000870972233 589703773 /nfs/dbraw/zinc/70/37/73/589703773.db2.gz WYNFUZVTBKTDNG-DRZSPHRISA-N 2 0 247.342 0.582 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)C1 ZINC000870972601 589703775 /nfs/dbraw/zinc/70/37/75/589703775.db2.gz MXRRYFIVKVTEMD-UZWSLXQKSA-N 2 0 237.347 0.230 20 0 BCADRP [NH3+]CCCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974230 589704037 /nfs/dbraw/zinc/70/40/37/589704037.db2.gz JSWVDDOGLKLOMU-ZSBIGDGJSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870994188 589704444 /nfs/dbraw/zinc/70/44/44/589704444.db2.gz ORCYQCSBYXKMGS-GXFFZTMASA-N 2 0 241.379 0.805 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870981529 589704782 /nfs/dbraw/zinc/70/47/82/589704782.db2.gz JGKAZQOBRMKGBL-SRVKXCTJSA-N 2 0 239.363 0.522 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870981526 589704786 /nfs/dbraw/zinc/70/47/86/589704786.db2.gz JGKAZQOBRMKGBL-QJPTWQEYSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870983783 589705440 /nfs/dbraw/zinc/70/54/40/589705440.db2.gz YFASWWKFKCNEDL-OUAUKWLOSA-N 2 0 225.336 0.134 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC[N@@H+]1C ZINC000870983538 589705608 /nfs/dbraw/zinc/70/56/08/589705608.db2.gz VVRUBJQJGLQDCT-OUAUKWLOSA-N 2 0 225.336 0.132 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870986201 589705755 /nfs/dbraw/zinc/70/57/55/589705755.db2.gz IPUHNGLGITVQSX-NSHDSACASA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870985947 589706199 /nfs/dbraw/zinc/70/61/99/589706199.db2.gz KZGCNKIZJAVCIS-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870987534 589706696 /nfs/dbraw/zinc/70/66/96/589706696.db2.gz LREQITFGVXFUGG-QWRGUYRKSA-N 2 0 241.379 0.879 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870989818 589708104 /nfs/dbraw/zinc/70/81/04/589708104.db2.gz PTYQCSGBXLZLJM-GWCFXTLKSA-N 2 0 241.379 0.818 20 0 BCADRP COCCN(C)C(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000871603327 589773316 /nfs/dbraw/zinc/77/33/16/589773316.db2.gz OHVZJXVVBJIMTB-UHFFFAOYSA-N 2 0 244.383 0.677 20 0 BCADRP COCCN(C)C(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 ZINC000871604017 589774322 /nfs/dbraw/zinc/77/43/22/589774322.db2.gz PSEIPNRJXZIGFP-JTQLQIEISA-N 2 0 228.340 0.041 20 0 BCADRP CC[NH+](CC)CCC[NH2+]C[C@H](O)CC(C)(C)O ZINC000871966142 589848661 /nfs/dbraw/zinc/84/86/61/589848661.db2.gz XKCXKCFEUONRDD-GFCCVEGCSA-N 2 0 246.395 0.830 20 0 BCADRP O[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000872141057 589881673 /nfs/dbraw/zinc/88/16/73/589881673.db2.gz JLUAMZFODFUSIP-UMSGYPCISA-N 2 0 240.347 0.353 20 0 BCADRP C[NH2+]CCC[NH+]1CCC2(CCNC2=O)CC1 ZINC000872145959 589883852 /nfs/dbraw/zinc/88/38/52/589883852.db2.gz ALWVGIOQMTXXJH-UHFFFAOYSA-N 2 0 225.336 0.198 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C[C@@H]1CC[NH2+]C1)C2 ZINC000872150602 589884830 /nfs/dbraw/zinc/88/48/30/589884830.db2.gz XTYMVQAZJBUQKA-GRYCIOLGSA-N 2 0 209.337 0.137 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCCCCC[NH3+] ZINC000872155339 589886068 /nfs/dbraw/zinc/88/60/68/589886068.db2.gz JLFUYJSTURCPAK-GFCCVEGCSA-N 3 0 231.384 0.408 20 0 BCADRP CN1CCC[C@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000872154537 589886092 /nfs/dbraw/zinc/88/60/92/589886092.db2.gz SFTPPJUJYXBWQO-GMXVVIOVSA-N 2 0 237.347 0.149 20 0 BCADRP Cn1[nH]c(C[N@H+](C)CCCCCC[NH3+])nc1=O ZINC000872155566 589886158 /nfs/dbraw/zinc/88/61/58/589886158.db2.gz QEHROZQXJNALCE-UHFFFAOYSA-N 2 0 241.339 0.059 20 0 BCADRP CS[C@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000872224864 589897284 /nfs/dbraw/zinc/89/72/84/589897284.db2.gz PJUCGZQAKNYJEI-IJLUTSLNSA-N 2 0 244.404 0.927 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000872255788 589901117 /nfs/dbraw/zinc/90/11/17/589901117.db2.gz FKCGGPQIIVMUIE-NWDGAFQWSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000872256304 589901477 /nfs/dbraw/zinc/90/14/77/589901477.db2.gz OQTFGPSQFCMGCG-GARJFASQSA-N 2 0 225.336 0.372 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872258222 589901699 /nfs/dbraw/zinc/90/16/99/589901699.db2.gz XYVOJYRWRHDVNK-MNOVXSKESA-N 2 0 227.352 0.701 20 0 BCADRP CC[NH2+]CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000872267970 589902934 /nfs/dbraw/zinc/90/29/34/589902934.db2.gz RFPYBXXWWBTTMP-TXEJJXNPSA-N 2 0 225.336 0.054 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000872297104 589906976 /nfs/dbraw/zinc/90/69/76/589906976.db2.gz GOZWUGJTCWQDLN-MRVPVSSYSA-N 2 0 249.305 0.569 20 0 BCADRP C[C@@H](C(=O)N1CC[NH2+]CCC1(C)C)[NH+](C)C ZINC000872297258 589907078 /nfs/dbraw/zinc/90/70/78/589907078.db2.gz LBQRLWFCKAUIGU-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[NH2+]CCC1(C)C ZINC000872296946 589907202 /nfs/dbraw/zinc/90/72/02/589907202.db2.gz CHCVVURSANIUFD-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[NH2+]CCC1(C)C ZINC000872298801 589907816 /nfs/dbraw/zinc/90/78/16/589907816.db2.gz UIRVMGMOAIRGIW-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[NH2+]CCC1(C)C ZINC000872298897 589908294 /nfs/dbraw/zinc/90/82/94/589908294.db2.gz WDYASYDUZMXZDZ-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@]13C[C@H]1C[C@H]([NH3+])C3)C2 ZINC000872314272 589909283 /nfs/dbraw/zinc/90/92/83/589909283.db2.gz XCSNHVDOPMIWDE-GJKBLCTNSA-N 2 0 249.358 0.182 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000124090386 589940440 /nfs/dbraw/zinc/94/04/40/589940440.db2.gz LLZOFOLCNBVRLH-NWDGAFQWSA-N 2 0 239.363 0.666 20 0 BCADRP Nc1cnc(C[NH+]2CCC(C[NH3+])CC2)cn1 ZINC000873200793 589992595 /nfs/dbraw/zinc/99/25/95/589992595.db2.gz GKTKACZYDYKAPS-UHFFFAOYSA-N 2 0 221.308 0.230 20 0 BCADRP CN(CC12CC(C1)C[NH2+]2)C1CCC([NH3+])CC1 ZINC000873201572 589993224 /nfs/dbraw/zinc/99/32/24/589993224.db2.gz LSEDHDLYUOUCRZ-UHFFFAOYSA-N 2 0 223.364 0.940 20 0 BCADRP C[N@H+](CCO)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873201431 589993374 /nfs/dbraw/zinc/99/33/74/589993374.db2.gz UFGOFTWIUPFXRA-UHFFFAOYSA-N 2 0 226.345 0.818 20 0 BCADRP C([NH2+][C@]12CCC[C@H]1[NH2+]CC2)C1CC[NH2+]CC1 ZINC000873229787 590002079 /nfs/dbraw/zinc/00/20/79/590002079.db2.gz FZLILNFPHUWCEF-OLZOCXBDSA-N 3 0 223.364 0.860 20 0 BCADRP C(N[C@@]12CCC[C@@H]1[NH2+]CC2)C12CC(C1)C[NH2+]2 ZINC000873232391 590002540 /nfs/dbraw/zinc/00/25/40/590002540.db2.gz XVPVPHPWLSNMBK-PYNQCMFNSA-N 2 0 221.348 0.613 20 0 BCADRP C(N[C@]12CCC[C@@H]1[NH2+]CC2)C12CC(C1)C[NH2+]2 ZINC000873232389 590002941 /nfs/dbraw/zinc/00/29/41/590002941.db2.gz XVPVPHPWLSNMBK-MVKMKZAISA-N 2 0 221.348 0.613 20 0 BCADRP C[C@@H](NC[C@H]1CCC(C)(C)C[NH2+]1)C1C[NH2+]C1 ZINC000873234027 590003244 /nfs/dbraw/zinc/00/32/44/590003244.db2.gz BFWGWLVFQVNBEP-ZYHUDNBSSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000873251195 590008023 /nfs/dbraw/zinc/00/80/23/590008023.db2.gz VABSXFHYJJPABO-NNYUYHANSA-N 3 0 211.353 0.701 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000873251193 590008377 /nfs/dbraw/zinc/00/83/77/590008377.db2.gz VABSXFHYJJPABO-FIQHERPVSA-N 3 0 211.353 0.701 20 0 BCADRP C[C@H](CCCCO)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873252811 590009071 /nfs/dbraw/zinc/00/90/71/590009071.db2.gz VUKJLHKUXFNJTQ-MXWKQRLJSA-N 2 0 200.326 0.864 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873254674 590010170 /nfs/dbraw/zinc/01/01/70/590010170.db2.gz ACJQWYPENUOAIO-BJDJZHNGSA-N 3 0 211.353 0.831 20 0 BCADRP C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256263 590010582 /nfs/dbraw/zinc/01/05/82/590010582.db2.gz NJBFRJMLWBJZJZ-DDHJBXDOSA-N 2 0 227.352 0.080 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CN1C1CC1 ZINC000873255699 590011204 /nfs/dbraw/zinc/01/12/04/590011204.db2.gz IHOWCSVJMMMFAC-KKOKHZNYSA-N 2 0 223.364 0.939 20 0 BCADRP COC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)C(C)C ZINC000873255412 590011282 /nfs/dbraw/zinc/01/12/82/590011282.db2.gz GBQFQVWSKZEENR-DCAQKATOSA-N 2 0 200.326 0.984 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261880 590013999 /nfs/dbraw/zinc/01/39/99/590013999.db2.gz SMLUJTOCIMKKRB-NZEXEKPDSA-N 3 0 223.364 0.986 20 0 BCADRP C[C@@H]([NH2+][C@@H]1CCC[C@H]1[NH3+])C1CC[NH2+]CC1 ZINC000873269261 590015309 /nfs/dbraw/zinc/01/53/09/590015309.db2.gz FFKIDKBPSUTFHG-YUSALJHKSA-N 3 0 211.353 0.844 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873269920 590015997 /nfs/dbraw/zinc/01/59/97/590015997.db2.gz MIOYVKGHXXYENN-DGCLKSJQSA-N 3 0 243.395 0.718 20 0 BCADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1[NH3+])C1CC[NH2+]CC1 ZINC000873271148 590016164 /nfs/dbraw/zinc/01/61/64/590016164.db2.gz FFKIDKBPSUTFHG-MVWJERBFSA-N 3 0 211.353 0.844 20 0 BCADRP Cc1nonc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000873295678 590024402 /nfs/dbraw/zinc/02/44/02/590024402.db2.gz NGNZHSVPECSRDL-MRVPVSSYSA-N 2 0 212.297 0.985 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)CCCCCC[NH3+] ZINC000124715061 590076802 /nfs/dbraw/zinc/07/68/02/590076802.db2.gz PTZJTDCNEZEWSR-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[NH+](C)CCCCNC(=O)C[NH+]1CCCC1 ZINC000874467629 590113484 /nfs/dbraw/zinc/11/34/84/590113484.db2.gz RSYZABPZOFMBMZ-UHFFFAOYSA-N 2 0 227.352 0.540 20 0 BCADRP C[NH+]1CCC(CC[NH2+]CCS(C)(=O)=O)CC1 ZINC000125142689 590126015 /nfs/dbraw/zinc/12/60/15/590126015.db2.gz USTQRVRECDTYLW-UHFFFAOYSA-N 2 0 248.392 0.353 20 0 BCADRP CC[NH2+]CC(=O)NCC1([NH+](C)C)CCCC1 ZINC000125652772 590176412 /nfs/dbraw/zinc/17/64/12/590176412.db2.gz CZDRHLNYMFVZPL-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000876501507 590203348 /nfs/dbraw/zinc/20/33/48/590203348.db2.gz PPLJICPGNKCTTM-IVZWLZJFSA-N 2 0 225.336 0.310 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000876505291 590204498 /nfs/dbraw/zinc/20/44/98/590204498.db2.gz BBKLGSZWSSWKGK-DNDCWNJCSA-N 2 0 237.347 0.220 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000876508133 590204858 /nfs/dbraw/zinc/20/48/58/590204858.db2.gz UGRXGRLQYOTXJB-RBVPNNQXSA-N 2 0 237.347 0.266 20 0 BCADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000876508546 590205036 /nfs/dbraw/zinc/20/50/36/590205036.db2.gz PMCRLHIANDCWCB-WTIVYXKASA-N 2 0 237.347 0.410 20 0 BCADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N[C@@H]1CC[NH2+]C1 ZINC000876511037 590205363 /nfs/dbraw/zinc/20/53/63/590205363.db2.gz UJNVQDZWNXSLRR-CBZSPVTBSA-N 2 0 223.320 0.020 20 0 BCADRP CN(C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)C1CC[NH2+]CC1 ZINC000876510654 590205465 /nfs/dbraw/zinc/20/54/65/590205465.db2.gz XFEZKVAOMDJFRX-WDEREUQCSA-N 2 0 239.363 0.570 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876510658 590205756 /nfs/dbraw/zinc/20/57/56/590205756.db2.gz XIDWXTIVZBEZIL-UWVGGRQHSA-N 2 0 227.352 0.476 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000876514188 590206100 /nfs/dbraw/zinc/20/61/00/590206100.db2.gz UQKRYJSRIMLFDJ-GXSJLCMTSA-N 2 0 223.320 0.231 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000876519721 590206812 /nfs/dbraw/zinc/20/68/12/590206812.db2.gz LSJLHWHQBGCQCM-GMTAPVOTSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](C(=O)NCc1ccc(CC[NH3+])cc1)[NH+](C)C ZINC000876518744 590206982 /nfs/dbraw/zinc/20/69/82/590206982.db2.gz XPNOMIYLKYMYOV-LLVKDONJSA-N 2 0 249.358 0.754 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000876517906 590206985 /nfs/dbraw/zinc/20/69/85/590206985.db2.gz GUIFBRDKAMBBRC-WZRBSPASSA-N 2 0 237.347 0.326 20 0 BCADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCC[NH2+]1 ZINC000876522679 590207779 /nfs/dbraw/zinc/20/77/79/590207779.db2.gz ZJXCSMOYKYTZMQ-WTIVYXKASA-N 2 0 237.347 0.410 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000876522570 590208122 /nfs/dbraw/zinc/20/81/22/590208122.db2.gz VYJVSZLSIYWDLD-HHVVOZNKSA-N 2 0 237.347 0.266 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C[C@@H](C)[NH2+]1 ZINC000876530024 590209854 /nfs/dbraw/zinc/20/98/54/590209854.db2.gz IXYQDZZKSGODRL-HXFLIBJXSA-N 2 0 247.289 0.035 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)C1CC1 ZINC000876531020 590210129 /nfs/dbraw/zinc/21/01/29/590210129.db2.gz XWILFHPASBSDCW-NDMJEZRESA-N 2 0 239.363 0.748 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876531569 590210183 /nfs/dbraw/zinc/21/01/83/590210183.db2.gz JONXWIZLHABMMY-HLTSFMKQSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876531728 590210407 /nfs/dbraw/zinc/21/04/07/590210407.db2.gz NKUZLHUXVXDNPI-MXFLAHGMSA-N 2 0 225.336 0.348 20 0 BCADRP CN(CCC[NH3+])C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876534998 590210726 /nfs/dbraw/zinc/21/07/26/590210726.db2.gz JAESJBQEIPIUJX-MVIFTORASA-N 2 0 225.336 0.349 20 0 BCADRP CN(CCC[NH3+])C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876534996 590210747 /nfs/dbraw/zinc/21/07/47/590210747.db2.gz JAESJBQEIPIUJX-ISALQUGTSA-N 2 0 225.336 0.349 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876534308 590210762 /nfs/dbraw/zinc/21/07/62/590210762.db2.gz BEWBHIGRMHRHPD-IUCAKERBSA-N 2 0 213.325 0.167 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]([NH3+])C(C)C ZINC000876534849 590210781 /nfs/dbraw/zinc/21/07/81/590210781.db2.gz FDENULSKJZRLCX-INHAFSAOSA-N 2 0 239.363 0.498 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876536110 590211363 /nfs/dbraw/zinc/21/13/63/590211363.db2.gz WDCDIFKSFBPREG-NRPADANISA-N 2 0 249.305 0.316 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876535989 590211362 /nfs/dbraw/zinc/21/13/62/590211362.db2.gz MWLUXDJEERVXLG-WZRBSPASSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876541294 590212152 /nfs/dbraw/zinc/21/21/52/590212152.db2.gz XRASNMYFQXTIJF-VGMNWLOBSA-N 2 0 247.289 0.037 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876710405 590232497 /nfs/dbraw/zinc/23/24/97/590232497.db2.gz KBKQEWDFMHJOHR-MNOVXSKESA-N 2 0 239.363 0.570 20 0 BCADRP O=C(NCC[NH+]1CCCC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876712535 590232501 /nfs/dbraw/zinc/23/25/01/590232501.db2.gz IQTYBIGAMJMRDU-QWRGUYRKSA-N 2 0 243.326 0.146 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876711202 590232656 /nfs/dbraw/zinc/23/26/56/590232656.db2.gz UQSKBJCUFOCDOV-ZJUUUORDSA-N 2 0 241.379 0.816 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000876712753 590232690 /nfs/dbraw/zinc/23/26/90/590232690.db2.gz JJRPHXKQGXVDPK-GHMZBOCLSA-N 2 0 239.363 0.572 20 0 BCADRP O=C(NCC[NH+]1CCCC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876712534 590232760 /nfs/dbraw/zinc/23/27/60/590232760.db2.gz IQTYBIGAMJMRDU-MNOVXSKESA-N 2 0 243.326 0.146 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876708155 590232778 /nfs/dbraw/zinc/23/27/78/590232778.db2.gz YHZSFKBGTLQKPK-VHSXEESVSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876724906 590233767 /nfs/dbraw/zinc/23/37/67/590233767.db2.gz BTINJWTYVLFETG-QWRGUYRKSA-N 2 0 241.379 0.818 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000876734067 590234484 /nfs/dbraw/zinc/23/44/84/590234484.db2.gz OKJMZYRGKURZQU-GARJFASQSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876740233 590235264 /nfs/dbraw/zinc/23/52/64/590235264.db2.gz RUDHVBLMWHZISM-VWYCJHECSA-N 2 0 241.379 0.816 20 0 BCADRP Cn1ccnc1CNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876753430 590238096 /nfs/dbraw/zinc/23/80/96/590238096.db2.gz KUQCFMBVBLMNFB-SGUJLRQBSA-N 2 0 248.330 0.592 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000876798295 590240089 /nfs/dbraw/zinc/24/00/89/590240089.db2.gz FYDWWTPWNXOLNX-RKDXNWHRSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876786454 590240863 /nfs/dbraw/zinc/24/08/63/590240863.db2.gz HZPGHQRXHKDITE-ZJRFNNFUSA-N 2 0 225.336 0.253 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876789684 590241207 /nfs/dbraw/zinc/24/12/07/590241207.db2.gz GBWGLICJEYSOJD-UWVGGRQHSA-N 2 0 231.315 0.050 20 0 BCADRP CN1CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC000876790176 590241314 /nfs/dbraw/zinc/24/13/14/590241314.db2.gz VKOBMQCPMSFOQB-QMAVJUDZSA-N 2 0 237.347 0.316 20 0 BCADRP [NH3+]C1(CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)CCC1 ZINC000876798840 590242595 /nfs/dbraw/zinc/24/25/95/590242595.db2.gz PYKUVFFQDVWVAC-SGUJLRQBSA-N 2 0 237.347 0.540 20 0 BCADRP CC1(C)[C@H](C(=O)N2CCC[C@@H]([NH3+])C2)C[C@@H]1[NH3+] ZINC000876828275 590246824 /nfs/dbraw/zinc/24/68/24/590246824.db2.gz PPLJICPGNKCTTM-UTLUCORTSA-N 2 0 225.336 0.310 20 0 BCADRP COc1cccc([C@@H]([NH3+])C(=O)N[C@@H](C)C[NH3+])c1 ZINC000876829268 590246893 /nfs/dbraw/zinc/24/68/93/590246893.db2.gz FTFZSSAACOAGBJ-GZMMTYOYSA-N 2 0 237.303 0.158 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CC[NH2+]CC1CC1 ZINC000876831262 590247354 /nfs/dbraw/zinc/24/73/54/590247354.db2.gz FCQFOPAIGDPKQR-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H]1C ZINC000876831765 590247440 /nfs/dbraw/zinc/24/74/40/590247440.db2.gz JUBGRIBHRUTKGO-HXFLIBJXSA-N 2 0 247.289 0.035 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC[NH2+]1 ZINC000876835109 590247813 /nfs/dbraw/zinc/24/78/13/590247813.db2.gz SJFFTSPBTKHWFG-XGEHTFHBSA-N 2 0 247.289 0.083 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)[C@H]1C ZINC000876833828 590248037 /nfs/dbraw/zinc/24/80/37/590248037.db2.gz YGXBXDWVYYROAS-NAKRPEOUSA-N 2 0 239.363 0.569 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876836526 590248302 /nfs/dbraw/zinc/24/83/02/590248302.db2.gz BEDLPYMFLZEXFB-BYAJROORSA-N 2 0 239.363 0.656 20 0 BCADRP CC1(C)[C@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H]1[NH3+] ZINC000876838639 590248394 /nfs/dbraw/zinc/24/83/94/590248394.db2.gz SQOGEDUMFWZDGO-VLEAKVRGSA-N 2 0 237.347 0.038 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876861324 590248703 /nfs/dbraw/zinc/24/87/03/590248703.db2.gz WOOIUUAYMSIFEC-MAUMQABQSA-N 2 0 213.325 0.212 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876846346 590249080 /nfs/dbraw/zinc/24/90/80/590249080.db2.gz AWYXDTZMLHFOQQ-DTWKUNHWSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000876847671 590249422 /nfs/dbraw/zinc/24/94/22/590249422.db2.gz DLBHQRDHFJOBEX-REIXXSIJSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000876847675 590249557 /nfs/dbraw/zinc/24/95/57/590249557.db2.gz DLBHQRDHFJOBEX-TURQNECASA-N 2 0 213.325 0.226 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876854432 590250033 /nfs/dbraw/zinc/25/00/33/590250033.db2.gz GLLUIPZUCQERBD-OUAUKWLOSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876858427 590250711 /nfs/dbraw/zinc/25/07/11/590250711.db2.gz SLMKUWGADQZPDH-CSMHCCOUSA-N 2 0 235.278 0.070 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]([NH3+])CC ZINC000876864598 590250904 /nfs/dbraw/zinc/25/09/04/590250904.db2.gz UUNDQCSQRXPTLV-DGVOVDLGSA-N 2 0 225.336 0.252 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876864987 590251101 /nfs/dbraw/zinc/25/11/01/590251101.db2.gz XMYBZARYZTVOBE-OBOPVNRVSA-N 2 0 225.336 0.396 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876861391 590251195 /nfs/dbraw/zinc/25/11/95/590251195.db2.gz XUTCWYTUUQBGBH-JMZSNQRZSA-N 2 0 225.336 0.394 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000876870309 590251713 /nfs/dbraw/zinc/25/17/13/590251713.db2.gz LXHFRAWITVYNDQ-UKKRHICBSA-N 2 0 239.363 0.603 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876871073 590251856 /nfs/dbraw/zinc/25/18/56/590251856.db2.gz PLAVMDYMJGUNJX-ZNSHCXBVSA-N 2 0 237.347 0.180 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876872393 590251968 /nfs/dbraw/zinc/25/19/68/590251968.db2.gz YCALHLLTMOBUEJ-KXUCPTDWSA-N 2 0 243.326 0.191 20 0 BCADRP CC1(C)[C@H](C(=O)N2CC[NH2+]C(C)(C)C2)C[C@@H]1[NH3+] ZINC000876873113 590252002 /nfs/dbraw/zinc/25/20/02/590252002.db2.gz WCLUZVCPYNWQHA-UWVGGRQHSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000876884589 590253671 /nfs/dbraw/zinc/25/36/71/590253671.db2.gz FCQCXFAUAWRFCG-GRYCIOLGSA-N 2 0 239.363 0.666 20 0 BCADRP CN(C(=O)[C@H](F)[C@@H]1CC[NH2+]C1)[C@H](C[NH3+])C1CC1 ZINC000876913314 590256450 /nfs/dbraw/zinc/25/64/50/590256450.db2.gz CUDVZRYGRHRINC-GMTAPVOTSA-N 2 0 243.326 0.130 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876916413 590256985 /nfs/dbraw/zinc/25/69/85/590256985.db2.gz SGGKIAUETJFJOB-AATLWQCWSA-N 2 0 225.336 0.308 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876926822 590257396 /nfs/dbraw/zinc/25/73/96/590257396.db2.gz HDRBACPYQDVUNR-RKDXNWHRSA-N 2 0 227.352 0.603 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876922438 590257418 /nfs/dbraw/zinc/25/74/18/590257418.db2.gz ZKUWKIFNWFQUTR-VHSXEESVSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+]CCCN(C)C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876921898 590257578 /nfs/dbraw/zinc/25/75/78/590257578.db2.gz MIIJUWKEMFRYSN-SYTKJHMZSA-N 2 0 239.363 0.610 20 0 BCADRP C[C@H](C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)[NH+](C)C ZINC000876924985 590257941 /nfs/dbraw/zinc/25/79/41/590257941.db2.gz YSYCDULEENDQFH-PWSUYJOCSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876934993 590258501 /nfs/dbraw/zinc/25/85/01/590258501.db2.gz PLNFXHPICAAMCE-XKNYDFJKSA-N 2 0 231.315 0.176 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CC[NH2+]CC1CC1 ZINC000876934251 590258548 /nfs/dbraw/zinc/25/85/48/590258548.db2.gz FQZZWJAKWLWPFG-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876934246 590258574 /nfs/dbraw/zinc/25/85/74/590258574.db2.gz FLEHLSRRNWVSHB-VMIGNACQSA-N 2 0 239.363 0.784 20 0 BCADRP [NH3+]CCCCCCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000876938169 590258600 /nfs/dbraw/zinc/25/86/00/590258600.db2.gz SRCNKAJLOOGBKN-LLVKDONJSA-N 2 0 225.336 0.669 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876936389 590258614 /nfs/dbraw/zinc/25/86/14/590258614.db2.gz YNHAJYCJPBUISV-YTWAJWBKSA-N 2 0 227.352 0.746 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876936388 590258620 /nfs/dbraw/zinc/25/86/20/590258620.db2.gz YNHAJYCJPBUISV-XWLWVQCSSA-N 2 0 227.352 0.746 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876936379 590258854 /nfs/dbraw/zinc/25/88/54/590258854.db2.gz YNHAJYCJPBUISV-DBIOUOCHSA-N 2 0 227.352 0.746 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CC[NH2+]CC1CC1 ZINC000876951802 590260229 /nfs/dbraw/zinc/26/02/29/590260229.db2.gz GPMCLLQKRVXRCW-PWSUYJOCSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876968521 590262690 /nfs/dbraw/zinc/26/26/90/590262690.db2.gz PYAJRXKLOQJQPH-FEORQELISA-N 2 0 249.358 0.492 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876976474 590263588 /nfs/dbraw/zinc/26/35/88/590263588.db2.gz LWXUJFHFWVGIDD-AXFHLTTASA-N 2 0 245.342 0.424 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876976925 590264021 /nfs/dbraw/zinc/26/40/21/590264021.db2.gz PNBJCHPPEBJOMX-AXFHLTTASA-N 2 0 241.379 0.849 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000876978983 590264452 /nfs/dbraw/zinc/26/44/52/590264452.db2.gz XVTVSDPIQRSQGX-BMQDGWLCSA-N 2 0 225.336 0.243 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000876978710 590264483 /nfs/dbraw/zinc/26/44/83/590264483.db2.gz NYEBSEOMEPQIFH-SGIHWFKDSA-N 2 0 243.326 0.258 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)CCCCC[NH3+] ZINC000876997635 590266967 /nfs/dbraw/zinc/26/69/67/590266967.db2.gz CIWOLZKCXIJDJY-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000877005150 590267934 /nfs/dbraw/zinc/26/79/34/590267934.db2.gz BCBLZEBVKNNSQU-AOOOYVTPSA-N 2 0 213.325 0.311 20 0 BCADRP CCN(CC[NH3+])C(=O)c1cccc(C[NH3+])c1 ZINC000877006441 590268464 /nfs/dbraw/zinc/26/84/64/590268464.db2.gz KQPGRQPPZBAAPY-UHFFFAOYSA-N 2 0 221.304 0.566 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000877023473 590270530 /nfs/dbraw/zinc/27/05/30/590270530.db2.gz SPDXURZSYUSVHL-MMWGEVLESA-N 2 0 243.326 0.191 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)C[NH2+]1 ZINC000877045619 590274004 /nfs/dbraw/zinc/27/40/04/590274004.db2.gz DCCVNUPOOCRYRV-LMLFDSFASA-N 2 0 239.363 0.617 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)C[NH2+]1 ZINC000877045621 590274096 /nfs/dbraw/zinc/27/40/96/590274096.db2.gz DCCVNUPOOCRYRV-RCWTZXSCSA-N 2 0 239.363 0.617 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C[NH2+]1 ZINC000877052331 590275199 /nfs/dbraw/zinc/27/51/99/590275199.db2.gz QPZDIXXSODRZIR-IRCOFANPSA-N 2 0 239.363 0.761 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N(C)C[C@H](C)[NH3+] ZINC000877095085 590278648 /nfs/dbraw/zinc/27/86/48/590278648.db2.gz INUVSFNMSCEPON-WCBMZHEXSA-N 2 0 201.314 0.310 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000877095806 590281839 /nfs/dbraw/zinc/28/18/39/590281839.db2.gz RWUSFIGZQMMEKH-PWSUYJOCSA-N 2 0 235.331 0.535 20 0 BCADRP C[C@H](CC(=O)N(C)C[C@H](C)[NH3+])[C@H]1CCC[NH2+]C1 ZINC000877095768 590281892 /nfs/dbraw/zinc/28/18/92/590281892.db2.gz QJQYEIVGOAKUIA-WOPDTQHZSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)C1(C[NH3+])CCCC1 ZINC000877095936 590282006 /nfs/dbraw/zinc/28/20/06/590282006.db2.gz VLTGEYPWLFCZQA-SECBINFHSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000877095026 590282187 /nfs/dbraw/zinc/28/21/87/590282187.db2.gz GTVNNLALYVQYMY-PWSUYJOCSA-N 2 0 235.331 0.362 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000877102214 590283155 /nfs/dbraw/zinc/28/31/55/590283155.db2.gz BYNHNBNECDSNFL-JGVFFNPUSA-N 2 0 235.278 0.037 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)N(C)C[C@@H](C)[NH3+])cc1 ZINC000877103308 590283677 /nfs/dbraw/zinc/28/36/77/590283677.db2.gz TWJRDJAYFQFCQN-ZYHUDNBSSA-N 2 0 235.331 0.800 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)C[C@H](C)[NH3+] ZINC000877103092 590283902 /nfs/dbraw/zinc/28/39/02/590283902.db2.gz QCUXFKGIYOORNK-VIFPVBQESA-N 2 0 201.314 0.134 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000877102773 590283912 /nfs/dbraw/zinc/28/39/12/590283912.db2.gz DLLBBNXLBWSTFD-VHSXEESVSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000877103766 590284023 /nfs/dbraw/zinc/28/40/23/590284023.db2.gz ZWUNASYNOYVOBE-ADEWGFFLSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000877103663 590284273 /nfs/dbraw/zinc/28/42/73/590284273.db2.gz XOHFNIPNLFSRSW-ZYHUDNBSSA-N 2 0 235.331 0.882 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000877103703 590284283 /nfs/dbraw/zinc/28/42/83/590284283.db2.gz YCVSWSZIOASBCA-ONGXEEELSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)C[C@H](C)[NH3+] ZINC000877103643 590284335 /nfs/dbraw/zinc/28/43/35/590284335.db2.gz XCSFCZPOAAGHLI-CIUDSAMLSA-N 2 0 201.314 0.165 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000877104816 590284445 /nfs/dbraw/zinc/28/44/45/590284445.db2.gz KEBTZDJKBUUXFH-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000877104817 590284457 /nfs/dbraw/zinc/28/44/57/590284457.db2.gz KEBTZDJKBUUXFH-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000877106110 590285010 /nfs/dbraw/zinc/28/50/10/590285010.db2.gz QKCJSPTZHLWIDD-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH3+])[C@H](C)[NH3+] ZINC000877106276 590285383 /nfs/dbraw/zinc/28/53/83/590285383.db2.gz WOBXZRNXADXMGE-GUBZILKMSA-N 2 0 215.341 0.411 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000877107425 590286080 /nfs/dbraw/zinc/28/60/80/590286080.db2.gz FHMQROBNKBBMGU-GUBZILKMSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000877109298 590286860 /nfs/dbraw/zinc/28/68/60/590286860.db2.gz FPUDTSXZPRVSGN-PWUVMTTMSA-N 2 0 237.347 0.409 20 0 BCADRP [NH3+]CC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877134032 590290908 /nfs/dbraw/zinc/29/09/08/590290908.db2.gz LHKVRSAQSZZJSS-VHSXEESVSA-N 2 0 205.261 0.398 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877150846 590291521 /nfs/dbraw/zinc/29/15/21/590291521.db2.gz DFXNKUTVWPOWBL-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP CC1(C)CC[C@H](CNC(=O)C2([NH3+])CC2)[NH2+]C1 ZINC000877158415 590291540 /nfs/dbraw/zinc/29/15/40/590291540.db2.gz SIXYQINLEKYLBG-SECBINFHSA-N 2 0 225.336 0.372 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877151760 590292761 /nfs/dbraw/zinc/29/27/61/590292761.db2.gz QZNQGJPZVVKJLC-MNOVXSKESA-N 2 0 241.379 0.879 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877151761 590293022 /nfs/dbraw/zinc/29/30/22/590293022.db2.gz QZNQGJPZVVKJLC-QWRGUYRKSA-N 2 0 241.379 0.879 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877155969 590293256 /nfs/dbraw/zinc/29/32/56/590293256.db2.gz ZQMZEISKYXLWHW-LLVKDONJSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000877172885 590293979 /nfs/dbraw/zinc/29/39/79/590293979.db2.gz UWONWPLJRZOCPX-UTINFBMNSA-N 2 0 225.336 0.308 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CC[NH2+]CC1CC1 ZINC000877171429 590296145 /nfs/dbraw/zinc/29/61/45/590296145.db2.gz GZPKKPHOULJARH-KOLCDFICSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)CCCCCC[NH3+] ZINC000877173281 590296883 /nfs/dbraw/zinc/29/68/83/590296883.db2.gz BXHFYGVLQZNIBB-WDEREUQCSA-N 2 0 227.352 0.844 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)C1=CC[C@H]([NH3+])C1 ZINC000877184915 590298563 /nfs/dbraw/zinc/29/85/63/590298563.db2.gz STTAPCZBSOQVJM-ZBOXLXRLSA-N 2 0 235.331 0.516 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187532 590298606 /nfs/dbraw/zinc/29/86/06/590298606.db2.gz AKRWFQJBXSEFPW-BMQDGWLCSA-N 2 0 225.336 0.596 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187749 590298707 /nfs/dbraw/zinc/29/87/07/590298707.db2.gz GGWUGFPLHDAKJA-ZBOXLXRLSA-N 2 0 239.363 0.857 20 0 BCADRP [NH3+]CC1(NC(=O)C[C@@H]([NH3+])C2CC2)CCCCC1 ZINC000877205666 590301147 /nfs/dbraw/zinc/30/11/47/590301147.db2.gz PXEQMTVIBQXCEB-LLVKDONJSA-N 2 0 239.363 0.892 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877242919 590302583 /nfs/dbraw/zinc/30/25/83/590302583.db2.gz AFJNGUSWPPFWCB-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000877243405 590302678 /nfs/dbraw/zinc/30/26/78/590302678.db2.gz KHTREEAJRYFYES-GWOFURMSSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000877242205 590302730 /nfs/dbraw/zinc/30/27/30/590302730.db2.gz HXPJOFYQEMRGPS-AOOOYVTPSA-N 2 0 237.347 0.515 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245441 590303186 /nfs/dbraw/zinc/30/31/86/590303186.db2.gz HSFASAGIGLJQLR-JGPRNRPPSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@]1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000877243772 590303294 /nfs/dbraw/zinc/30/32/94/590303294.db2.gz UGPVDRDMLXSHJX-JFGNBEQYSA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)([NH3+])CCC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877245902 590303616 /nfs/dbraw/zinc/30/36/16/590303616.db2.gz QEERDGUUAIHVMT-KYZUINATSA-N 2 0 213.325 0.357 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)CC3([NH3+])CC3)CC[C@H]21 ZINC000877250162 590303609 /nfs/dbraw/zinc/30/36/09/590303609.db2.gz OFDRZGDITVIPCO-WDEREUQCSA-N 2 0 237.347 0.420 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877248931 590303627 /nfs/dbraw/zinc/30/36/27/590303627.db2.gz GJJSLFAKVADMHI-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877246714 590303798 /nfs/dbraw/zinc/30/37/98/590303798.db2.gz MYNVJKLPKGDVCB-DUMGWNBUSA-N 2 0 249.358 0.099 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC[C@@H]21 ZINC000877250158 590303993 /nfs/dbraw/zinc/30/39/93/590303993.db2.gz OEDDGRKZUGLKIN-QWQWKMKNSA-N 2 0 249.358 0.289 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)[NH+](C)C ZINC000877271006 590305048 /nfs/dbraw/zinc/30/50/48/590305048.db2.gz AQINKICVXQRVIZ-GARJFASQSA-N 2 0 225.336 0.289 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877271835 590305442 /nfs/dbraw/zinc/30/54/42/590305442.db2.gz FHJNUQBATIZHBP-KXUCPTDWSA-N 2 0 211.309 0.077 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877273224 590305448 /nfs/dbraw/zinc/30/54/48/590305448.db2.gz CNWRXZUWYQJEKK-GARJFASQSA-N 2 0 225.336 0.337 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877273222 590305546 /nfs/dbraw/zinc/30/55/46/590305546.db2.gz CNWRXZUWYQJEKK-AXFHLTTASA-N 2 0 225.336 0.337 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877272290 590305607 /nfs/dbraw/zinc/30/56/07/590305607.db2.gz HIVBKTAJHCAEEU-GMTAPVOTSA-N 2 0 225.336 0.337 20 0 BCADRP [NH3+]CC1(CC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000877275190 590305972 /nfs/dbraw/zinc/30/59/72/590305972.db2.gz QAXQBLBQTZZZRZ-GHMZBOCLSA-N 2 0 237.347 0.468 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877281264 590306178 /nfs/dbraw/zinc/30/61/78/590306178.db2.gz GTJLAAIGPIVWHU-IJLUTSLNSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877283706 590306301 /nfs/dbraw/zinc/30/63/01/590306301.db2.gz QEVKSEBKIIHRIM-DCAQKATOSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+][C@H](CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)C1CC1 ZINC000877279980 590306436 /nfs/dbraw/zinc/30/64/36/590306436.db2.gz AUCPZBWWNAPTJF-IJLUTSLNSA-N 2 0 237.347 0.467 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877284040 590306759 /nfs/dbraw/zinc/30/67/59/590306759.db2.gz RUWYELGCGABOCC-SFTQSGBHSA-N 2 0 249.358 0.339 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877284750 590306806 /nfs/dbraw/zinc/30/68/06/590306806.db2.gz VZKKAZGWQUVWQI-NWDGAFQWSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877286658 590307103 /nfs/dbraw/zinc/30/71/03/590307103.db2.gz GAPDIANFRULWJG-UWVGGRQHSA-N 2 0 225.336 0.467 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877288474 590307218 /nfs/dbraw/zinc/30/72/18/590307218.db2.gz PFBNTBFCBQXQAY-IVZWLZJFSA-N 2 0 211.309 0.077 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877286099 590307252 /nfs/dbraw/zinc/30/72/52/590307252.db2.gz ATWWLFCWJZCONW-RYUDHWBXSA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000877292382 590307923 /nfs/dbraw/zinc/30/79/23/590307923.db2.gz LDCFJVNOCZKXGJ-HAQNSBGRSA-N 2 0 237.347 0.682 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877343606 590317601 /nfs/dbraw/zinc/31/76/01/590317601.db2.gz ONZOMFGILSORGY-CHWSQXEVSA-N 2 0 247.342 0.554 20 0 BCADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1CC[NH2+]1 ZINC000877342600 590318147 /nfs/dbraw/zinc/31/81/47/590318147.db2.gz DQEQXWXHCDQNOP-QWHCGFSZSA-N 2 0 245.326 0.179 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877346782 590318668 /nfs/dbraw/zinc/31/86/68/590318668.db2.gz NBRFEFXROJXHFH-LBPRGKRZSA-N 2 0 233.315 0.037 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877347604 590318705 /nfs/dbraw/zinc/31/87/05/590318705.db2.gz LHNRGNNFTMCEHN-JOYOIKCWSA-N 2 0 233.315 0.164 20 0 BCADRP CC(C)([NH3+])CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877379496 590319623 /nfs/dbraw/zinc/31/96/23/590319623.db2.gz ISKJMGYGTGZLSQ-JOYOIKCWSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877374160 590319758 /nfs/dbraw/zinc/31/97/58/590319758.db2.gz ZBLSTVDUUDFKTD-OUJBWJOFSA-N 2 0 237.347 0.195 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373785 590319922 /nfs/dbraw/zinc/31/99/22/590319922.db2.gz JADBHNTTYFAGQP-HOSYDEDBSA-N 2 0 225.336 0.038 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877374303 590320080 /nfs/dbraw/zinc/32/00/80/590320080.db2.gz FAAOKFABCKPQGJ-MRBYEJRBSA-N 2 0 237.347 0.052 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877375232 590320237 /nfs/dbraw/zinc/32/02/37/590320237.db2.gz VVBJSMIWKVYIBP-MPPDQPJWSA-N 2 0 239.363 0.428 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877380083 590320508 /nfs/dbraw/zinc/32/05/08/590320508.db2.gz RIHXMSLRCCEJFU-GMXVVIOVSA-N 2 0 239.363 0.428 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877386076 590320644 /nfs/dbraw/zinc/32/06/44/590320644.db2.gz GIJWZIITYRJCPN-ZYHUDNBSSA-N 2 0 225.336 0.385 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877387851 590321277 /nfs/dbraw/zinc/32/12/77/590321277.db2.gz RRIZSPQLLISCDV-JBLDHEPKSA-N 2 0 225.336 0.385 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877388343 590321779 /nfs/dbraw/zinc/32/17/79/590321779.db2.gz YOEKNJFQXNKSJR-NTZNESFSSA-N 2 0 237.347 0.387 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)C1 ZINC000877387702 590321812 /nfs/dbraw/zinc/32/18/12/590321812.db2.gz PUPFZKGWHZJBPI-MIZYBKAJSA-N 2 0 223.320 0.125 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877391504 590321973 /nfs/dbraw/zinc/32/19/73/590321973.db2.gz OGTATBVWLSSVSI-NDMJEZRESA-N 2 0 237.347 0.528 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877393151 590322032 /nfs/dbraw/zinc/32/20/32/590322032.db2.gz WDASVUHAHSVEIA-GIPNMCIBSA-N 2 0 237.347 0.385 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877392629 590322366 /nfs/dbraw/zinc/32/23/66/590322366.db2.gz UNWSSSZDJDGUJA-QFOLPQNPSA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877393468 590322460 /nfs/dbraw/zinc/32/24/60/590322460.db2.gz YCYGNKRRWRXQEP-DGCLKSJQSA-N 2 0 239.363 0.906 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877391047 590322484 /nfs/dbraw/zinc/32/24/84/590322484.db2.gz MAMONKIYHVSBKF-YPMHNXCESA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877398891 590322694 /nfs/dbraw/zinc/32/26/94/590322694.db2.gz JADZPOWIXVBOJU-CABZTGNLSA-N 2 0 225.336 0.515 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877399298 590323215 /nfs/dbraw/zinc/32/32/15/590323215.db2.gz MMRARHHSRZXWFL-GWCFXTLKSA-N 2 0 239.363 0.905 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877399611 590324305 /nfs/dbraw/zinc/32/43/05/590324305.db2.gz NAJABCVADQRNMD-JBLDHEPKSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C)CCCCCC[NH3+] ZINC000877437406 590327872 /nfs/dbraw/zinc/32/78/72/590327872.db2.gz DXQFHOKGZXKZQP-LLVKDONJSA-N 2 0 229.368 0.962 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C)CCCCCC[NH3+] ZINC000877436960 590328454 /nfs/dbraw/zinc/32/84/54/590328454.db2.gz PYPXTNHQFLNQMT-JTQLQIEISA-N 2 0 215.341 0.701 20 0 BCADRP C[C@H]([NH3+])C(=O)N(C)CCCCCC[NH3+] ZINC000877444481 590328702 /nfs/dbraw/zinc/32/87/02/590328702.db2.gz MEEKJEQZHKBEDA-VIFPVBQESA-N 2 0 201.314 0.311 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)C(C)(C)[NH3+] ZINC000877444564 590328931 /nfs/dbraw/zinc/32/89/31/590328931.db2.gz ODGFXABAGLCSJB-UHFFFAOYSA-N 2 0 215.341 0.701 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)[C@H]1CCC[NH2+]1 ZINC000877445969 590328937 /nfs/dbraw/zinc/32/89/37/590328937.db2.gz XALUCXVRZRHZSJ-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP CC(C)(O)CN1CC[C@H]([NH2+]C2CSC2)C1 ZINC000877665654 590388817 /nfs/dbraw/zinc/38/88/17/590388817.db2.gz ZWIQAZTUMZBBPY-VIFPVBQESA-N 2 0 230.377 0.537 20 0 BCADRP CC(C)C[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878000347 590469441 /nfs/dbraw/zinc/46/94/41/590469441.db2.gz BHLWUULZCQAWFD-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH+]1CCC2(CCN(Cc3cnon3)C2)CC1 ZINC000878864052 590635528 /nfs/dbraw/zinc/63/55/28/590635528.db2.gz OALZJNMVHGBSKG-UHFFFAOYSA-N 2 0 236.319 0.987 20 0 BCADRP C[C@H](C(=O)NCC[N@@H+]1CCC[C@H]1C)[NH+](C)C ZINC000879537185 590796898 /nfs/dbraw/zinc/79/68/98/590796898.db2.gz UXMMVGYWCPQRQU-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(CC(=O)NC3CC3)CC[C@H]21 ZINC000879567172 590807579 /nfs/dbraw/zinc/80/75/79/590807579.db2.gz NJMGIAUXSHIXGA-ZYHUDNBSSA-N 2 0 237.347 0.291 20 0 BCADRP CC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573768 590809698 /nfs/dbraw/zinc/80/96/98/590809698.db2.gz RCUJKGZVFOUZPS-SRVKXCTJSA-N 2 0 212.337 0.783 20 0 BCADRP COC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573658 590811579 /nfs/dbraw/zinc/81/15/79/590811579.db2.gz PJGBNSUXYPKZJP-UTUOFQBUSA-N 2 0 228.336 0.020 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582024 590819836 /nfs/dbraw/zinc/81/98/36/590819836.db2.gz PJGBNSUXYPKZJP-SDDRHHMPSA-N 2 0 228.336 0.020 20 0 BCADRP C[C@H](CO)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580815 590821030 /nfs/dbraw/zinc/82/10/30/590821030.db2.gz KXVRWLOXWRPWLM-TUAOUCFPSA-N 2 0 212.337 0.641 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)OC ZINC000879581340 590822132 /nfs/dbraw/zinc/82/21/32/590822132.db2.gz YRCFIYBGUNBIJN-FRRDWIJNSA-N 2 0 242.363 0.674 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000882486283 591358196 /nfs/dbraw/zinc/35/81/96/591358196.db2.gz PCROKQZMKMVLCI-WDEREUQCSA-N 2 0 225.336 0.291 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000882491906 591372782 /nfs/dbraw/zinc/37/27/82/591372782.db2.gz LKZNDILUZMLJJC-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C[C@H]([NH3+])C1CC1 ZINC000129840311 591412347 /nfs/dbraw/zinc/41/23/47/591412347.db2.gz JEHUAPHHNACEAD-KOLCDFICSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]Cc1cc(C(=O)NCC[NH+]2CCCC2)ccn1 ZINC000129980350 591426162 /nfs/dbraw/zinc/42/61/62/591426162.db2.gz FGASLHYRRPRMIW-UHFFFAOYSA-N 2 0 248.330 0.366 20 0 BCADRP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000130658597 591494621 /nfs/dbraw/zinc/49/46/21/591494621.db2.gz FXVPVOIDUAAKIA-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)[NH+](C)C ZINC000131118495 591554703 /nfs/dbraw/zinc/55/47/03/591554703.db2.gz ZLKYOPSJXOTPKL-JTQLQIEISA-N 2 0 247.342 0.970 20 0 BCADRP COC[C@@H]([NH2+]CCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000883164784 591558497 /nfs/dbraw/zinc/55/84/97/591558497.db2.gz ODCAMPAVUNWRSS-CHWSQXEVSA-N 2 0 244.379 0.969 20 0 BCADRP CN(C[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000883423463 591658864 /nfs/dbraw/zinc/65/88/64/591658864.db2.gz LPNHKULBKCHBRL-GMXVVIOVSA-N 2 0 241.354 0.855 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN(C2CC2)[C@@H]2CC[NH2+]C2)C1 ZINC000883424521 591658903 /nfs/dbraw/zinc/65/89/03/591658903.db2.gz VMDKIMHNSDFGQS-JBLDHEPKSA-N 2 0 227.327 0.513 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000883423287 591659325 /nfs/dbraw/zinc/65/93/25/591659325.db2.gz HYUBSNUFSPOKFH-AVGNSLFASA-N 2 0 241.354 0.857 20 0 BCADRP CN(C[C@@H]1C[C@H](F)C[NH2+]1)C1(C[NH3+])CCC1 ZINC000883429131 591660201 /nfs/dbraw/zinc/66/02/01/591660201.db2.gz MLOZIBLUWLIZSY-UWVGGRQHSA-N 2 0 215.316 0.500 20 0 BCADRP CN(C[C@@H]1C[C@H](F)C[NH2+]1)[C@H](C[NH3+])C1CC1 ZINC000883428646 591660257 /nfs/dbraw/zinc/66/02/57/591660257.db2.gz ZLQUHOBQJNNRGW-GARJFASQSA-N 2 0 215.316 0.356 20 0 BCADRP CC(C)[C@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CC[NH2+]1 ZINC000883427201 591660736 /nfs/dbraw/zinc/66/07/36/591660736.db2.gz LFKBXFSYWVVWHN-SDDRHHMPSA-N 2 0 229.343 0.616 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCN1CCOC1=O ZINC000883429835 591661667 /nfs/dbraw/zinc/66/16/67/591661667.db2.gz GBJQPXQARKQKHB-SNVBAGLBSA-N 2 0 241.335 0.416 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCN1CCOC1=O ZINC000883429834 591661937 /nfs/dbraw/zinc/66/19/37/591661937.db2.gz GBJQPXQARKQKHB-JTQLQIEISA-N 2 0 241.335 0.416 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000883432793 591662723 /nfs/dbraw/zinc/66/27/23/591662723.db2.gz ADHQNTCBPHOTLU-SDDRHHMPSA-N 2 0 227.327 0.514 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000883438596 591667691 /nfs/dbraw/zinc/66/76/91/591667691.db2.gz WVNAXIFHXHTOLB-MMWGEVLESA-N 2 0 213.300 0.123 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CC[NH2+]CCC12CCC2 ZINC000883456822 591672628 /nfs/dbraw/zinc/67/26/28/591672628.db2.gz KONKUDGDCIHPCY-GFCCVEGCSA-N 2 0 223.364 0.814 20 0 BCADRP C[C@H](CCO)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000132411679 591706696 /nfs/dbraw/zinc/70/66/96/591706696.db2.gz FKYWVRWBIVWPGK-MNOVXSKESA-N 2 0 200.326 0.689 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CCC([NH3+])CC1 ZINC000884004493 591792758 /nfs/dbraw/zinc/79/27/58/591792758.db2.gz BAPVMKSDNZEMNK-LLVKDONJSA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCC([NH3+])CC1 ZINC000884004494 591792905 /nfs/dbraw/zinc/79/29/05/591792905.db2.gz BAPVMKSDNZEMNK-NSHDSACASA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000884012495 591799308 /nfs/dbraw/zinc/79/93/08/591799308.db2.gz MCYIYJFLFSAJCA-QWRGUYRKSA-N 2 0 241.379 0.864 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000884017865 591800256 /nfs/dbraw/zinc/80/02/56/591800256.db2.gz IABVDIUZRXBVON-WDEREUQCSA-N 2 0 239.363 0.490 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000884017862 591800526 /nfs/dbraw/zinc/80/05/26/591800526.db2.gz IABVDIUZRXBVON-GHMZBOCLSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000884017512 591800560 /nfs/dbraw/zinc/80/05/60/591800560.db2.gz YVKSORWEYWBRAW-MNOVXSKESA-N 2 0 225.336 0.230 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@H]([NH3+])C1 ZINC000884019725 591801867 /nfs/dbraw/zinc/80/18/67/591801867.db2.gz AFKBCRZLMQSMFA-UWVGGRQHSA-N 2 0 213.325 0.180 20 0 BCADRP CC[NH2+]CCNC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884023184 591803992 /nfs/dbraw/zinc/80/39/92/591803992.db2.gz FACGCODQUBFFNP-SNVBAGLBSA-N 2 0 229.368 0.722 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H](CC(C)C)[NH2+]C ZINC000884023202 591804040 /nfs/dbraw/zinc/80/40/40/591804040.db2.gz FGGBGUCFCHOVRA-JTQLQIEISA-N 2 0 215.341 0.346 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884024925 591805610 /nfs/dbraw/zinc/80/56/10/591805610.db2.gz HSLQCKLQYVGLGH-SKDRFNHKSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884025851 591806595 /nfs/dbraw/zinc/80/65/95/591806595.db2.gz KFNCSAOVUVKVLU-QMMMGPOBSA-N 2 0 213.325 0.086 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884025946 591807052 /nfs/dbraw/zinc/80/70/52/591807052.db2.gz NDCKESMPXPGPER-NSHDSACASA-N 2 0 241.379 0.736 20 0 BCADRP CN(C(=O)[C@@H]1C[NH2+]CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000884028222 591812828 /nfs/dbraw/zinc/81/28/28/591812828.db2.gz ASWTYLWBNSJPQO-ZJUUUORDSA-N 2 0 225.336 0.052 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884029839 591813664 /nfs/dbraw/zinc/81/36/64/591813664.db2.gz YPQRUQZYKHNUEZ-LLVKDONJSA-N 2 0 225.336 0.324 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000884030179 591813750 /nfs/dbraw/zinc/81/37/50/591813750.db2.gz IHTOHZINZSXCAD-SNVBAGLBSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000884031849 591814716 /nfs/dbraw/zinc/81/47/16/591814716.db2.gz AYGWGRRATXCZRS-WDEREUQCSA-N 2 0 241.379 0.816 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000884031623 591815505 /nfs/dbraw/zinc/81/55/05/591815505.db2.gz VVGWNGXYGJKTBK-WCQYABFASA-N 2 0 241.379 0.864 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@@H]([NH3+])CC1CC1)C1CC1 ZINC000884031457 591815532 /nfs/dbraw/zinc/81/55/32/591815532.db2.gz PRVZAWZIIPIMTM-CMPLNLGQSA-N 2 0 225.336 0.357 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884032784 591816020 /nfs/dbraw/zinc/81/60/20/591816020.db2.gz BQFJPRONMRNQMP-MNOVXSKESA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884034412 591816303 /nfs/dbraw/zinc/81/63/03/591816303.db2.gz DNDVDZWCYLNGQJ-VHSXEESVSA-N 2 0 213.325 0.213 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884032783 591816631 /nfs/dbraw/zinc/81/66/31/591816631.db2.gz BQFJPRONMRNQMP-GHMZBOCLSA-N 2 0 227.352 0.603 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884039006 591820940 /nfs/dbraw/zinc/82/09/40/591820940.db2.gz BCXHFPNLVJLEGN-GRYCIOLGSA-N 2 0 237.347 0.467 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884040296 591821783 /nfs/dbraw/zinc/82/17/83/591821783.db2.gz PPOYANUCKZDWAS-WDEREUQCSA-N 2 0 225.336 0.324 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000884039704 591822349 /nfs/dbraw/zinc/82/23/49/591822349.db2.gz XAUOUSKJSCKMEU-SNVBAGLBSA-N 2 0 227.352 0.748 20 0 BCADRP CN(C(=O)[C@@H]([NH3+])CC1CC1)C1CCC([NH3+])CC1 ZINC000884040919 591823754 /nfs/dbraw/zinc/82/37/54/591823754.db2.gz HFZKKRLIUBYEPH-MCIGGMRASA-N 2 0 239.363 0.842 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000884198418 591871847 /nfs/dbraw/zinc/87/18/47/591871847.db2.gz WDPGFNZDJGJLSV-RYUDHWBXSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])CC1CC1)C1CC1 ZINC000884196530 591872914 /nfs/dbraw/zinc/87/29/14/591872914.db2.gz UFLOSEOEGOAUMM-NWDGAFQWSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H](C)C[NH3+] ZINC000884237579 591876545 /nfs/dbraw/zinc/87/65/45/591876545.db2.gz GXDCTSXLGMUKET-UWVGGRQHSA-N 2 0 215.341 0.332 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000884241954 591878719 /nfs/dbraw/zinc/87/87/19/591878719.db2.gz GSAPNUONGXWYIE-WDEREUQCSA-N 2 0 241.379 0.849 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC1C[NH2+]C1 ZINC000884242331 591879347 /nfs/dbraw/zinc/87/93/47/591879347.db2.gz SWYGNJJJOBDDED-JTQLQIEISA-N 2 0 227.352 0.332 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@@H](C)CC[NH3+] ZINC000884245431 591881734 /nfs/dbraw/zinc/88/17/34/591881734.db2.gz VXCJOOJWIJLCEW-VHSXEESVSA-N 2 0 229.368 0.849 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC1([NH3+])CCC1 ZINC000884247530 591883300 /nfs/dbraw/zinc/88/33/00/591883300.db2.gz YJABICCSXKATQY-JTQLQIEISA-N 2 0 241.379 0.994 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884253986 591884887 /nfs/dbraw/zinc/88/48/87/591884887.db2.gz AYKGYLPCLUNJKL-GMTAPVOTSA-N 2 0 239.363 0.346 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884253987 591885031 /nfs/dbraw/zinc/88/50/31/591885031.db2.gz AYKGYLPCLUNJKL-MXWKQRLJSA-N 2 0 239.363 0.346 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)NCC1=CC[NH2+]CC1 ZINC000884253493 591885634 /nfs/dbraw/zinc/88/56/34/591885634.db2.gz MCWAIXHTGPMGPT-LLVKDONJSA-N 2 0 223.320 0.150 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H](C)[NH3+] ZINC000884274875 591889411 /nfs/dbraw/zinc/88/94/11/591889411.db2.gz WYGNWQGUJFYFPV-BDAKNGLRSA-N 2 0 215.341 0.459 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884277404 591892539 /nfs/dbraw/zinc/89/25/39/591892539.db2.gz NTOZMVJXAFPPGR-RYUDHWBXSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884279560 591892785 /nfs/dbraw/zinc/89/27/85/591892785.db2.gz OEABTESGRLJNHZ-ZYHUDNBSSA-N 2 0 225.336 0.311 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000884288639 591895085 /nfs/dbraw/zinc/89/50/85/591895085.db2.gz JSNZSJGGYZZPJD-DCAQKATOSA-N 2 0 227.352 0.569 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884295339 591895588 /nfs/dbraw/zinc/89/55/88/591895588.db2.gz VHMPEEDTGISZLS-ZJUUUORDSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884295336 591895986 /nfs/dbraw/zinc/89/59/86/591895986.db2.gz VHMPEEDTGISZLS-NXEZZACHSA-N 2 0 227.352 0.476 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)[C@@H]([NH3+])CC1CC1)C(F)F ZINC000884296625 591897188 /nfs/dbraw/zinc/89/71/88/591897188.db2.gz BPEPKKOYKVFKFG-JGVFFNPUSA-N 2 0 235.278 0.213 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000134161903 591897259 /nfs/dbraw/zinc/89/72/59/591897259.db2.gz ULVBXDLNHNLSRV-DCAQKATOSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000884303383 591899270 /nfs/dbraw/zinc/89/92/70/591899270.db2.gz NJNBWBLEOGNEHX-SRVKXCTJSA-N 2 0 241.379 0.864 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884302400 591899771 /nfs/dbraw/zinc/89/97/71/591899771.db2.gz PYLHCTYIHUNFGE-MXWKQRLJSA-N 2 0 225.336 0.357 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)C1CCCC1 ZINC000884336890 591905641 /nfs/dbraw/zinc/90/56/41/591905641.db2.gz ZGXUDLVBTKDXLW-RYUDHWBXSA-N 2 0 239.363 0.748 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884347672 591908503 /nfs/dbraw/zinc/90/85/03/591908503.db2.gz BFICRJWXXAFHOK-DJLDLDEBSA-N 2 0 213.325 0.084 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C[NH2+]CC1CC1 ZINC000884347813 591909009 /nfs/dbraw/zinc/90/90/09/591909009.db2.gz GZWFLCXOTWXOEO-ZJUUUORDSA-N 2 0 225.336 0.228 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000884347735 591909106 /nfs/dbraw/zinc/90/91/06/591909106.db2.gz DFQQRKBEVAEQDO-ZJUUUORDSA-N 2 0 239.363 0.748 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884347757 591909117 /nfs/dbraw/zinc/90/91/17/591909117.db2.gz DZKRTTBCTHDQJH-DJLDLDEBSA-N 2 0 245.392 0.309 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000884344644 591909185 /nfs/dbraw/zinc/90/91/85/591909185.db2.gz LZZMIVRCWLUKKC-DGCLKSJQSA-N 2 0 237.347 0.468 20 0 BCADRP CC1(C)[C@H](NC(=O)C[NH2+]CC2CC2)C[C@@H]1[NH3+] ZINC000884347812 591909190 /nfs/dbraw/zinc/90/91/90/591909190.db2.gz GZWFLCXOTWXOEO-VHSXEESVSA-N 2 0 225.336 0.228 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)C1([NH3+])CCCC1 ZINC000884348234 591909814 /nfs/dbraw/zinc/90/98/14/591909814.db2.gz RLSVFWRHQWYXEF-IUCAKERBSA-N 2 0 225.336 0.500 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884357771 591911084 /nfs/dbraw/zinc/91/10/84/591911084.db2.gz FCKCSHFOVVJQLH-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000884357791 591912329 /nfs/dbraw/zinc/91/23/29/591912329.db2.gz FPQNOXIFIYVXDU-KWBADKCTSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884358763 591912379 /nfs/dbraw/zinc/91/23/79/591912379.db2.gz XOLXHRSONUOCBH-ZJUUUORDSA-N 2 0 227.352 0.569 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884357610 591913116 /nfs/dbraw/zinc/91/31/16/591913116.db2.gz BCGVJELAMFPLLY-JXUBOQSCSA-N 2 0 227.352 0.602 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884360311 591913787 /nfs/dbraw/zinc/91/37/87/591913787.db2.gz YFAZLZIPFJOPCK-IWSPIJDZSA-N 2 0 213.325 0.212 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CC[NH2+]C1CC1 ZINC000884362666 591915256 /nfs/dbraw/zinc/91/52/56/591915256.db2.gz PGBPRQLQYHQABB-UWVGGRQHSA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884362974 591915267 /nfs/dbraw/zinc/91/52/67/591915267.db2.gz VBXHCBHCSQMWCI-RKDXNWHRSA-N 2 0 213.325 0.226 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CCC1C[NH2+]C1 ZINC000884365152 591915327 /nfs/dbraw/zinc/91/53/27/591915327.db2.gz DYAJPDYYLGSTQP-ZJUUUORDSA-N 2 0 225.336 0.228 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000884363080 591915624 /nfs/dbraw/zinc/91/56/24/591915624.db2.gz XCUVIPBKGCQASJ-KATARQTJSA-N 2 0 225.336 0.356 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CCC1C[NH2+]C1 ZINC000884365149 591915907 /nfs/dbraw/zinc/91/59/07/591915907.db2.gz DYAJPDYYLGSTQP-NXEZZACHSA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884363804 591916337 /nfs/dbraw/zinc/91/63/37/591916337.db2.gz JAPUJWFNDNPXNT-DCAQKATOSA-N 2 0 241.379 0.992 20 0 BCADRP C[C@H](C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C)[NH+](C)C ZINC000884365603 591917171 /nfs/dbraw/zinc/91/71/71/591917171.db2.gz LKKVIHOECJZKDI-IWSPIJDZSA-N 2 0 213.325 0.179 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884366324 591917521 /nfs/dbraw/zinc/91/75/21/591917521.db2.gz XTFOVFRROTZUBN-AXFHLTTASA-N 2 0 239.363 0.713 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCCC[NH2+]C1CC1 ZINC000884375589 591919654 /nfs/dbraw/zinc/91/96/54/591919654.db2.gz FLYQSGQWTKLACE-LLVKDONJSA-N 2 0 239.363 0.490 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCCC[NH2+]C1CC1 ZINC000884375590 591920214 /nfs/dbraw/zinc/92/02/14/591920214.db2.gz FLYQSGQWTKLACE-NSHDSACASA-N 2 0 239.363 0.490 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884390462 591923037 /nfs/dbraw/zinc/92/30/37/591923037.db2.gz WWSUAPTWZILRRN-GRYCIOLGSA-N 2 0 239.363 0.570 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000884422201 591929894 /nfs/dbraw/zinc/92/98/94/591929894.db2.gz PLAKDXHLIBCVMS-CABZTGNLSA-N 2 0 225.336 0.100 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000884422247 591930088 /nfs/dbraw/zinc/93/00/88/591930088.db2.gz QSMAOONPQWDFIX-CMPLNLGQSA-N 2 0 227.352 0.489 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884434409 591933154 /nfs/dbraw/zinc/93/31/54/591933154.db2.gz LEODFVVACWSVML-GARJFASQSA-N 2 0 225.336 0.371 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000884438084 591933980 /nfs/dbraw/zinc/93/39/80/591933980.db2.gz UJUPRKHDFRDLBP-SRVKXCTJSA-N 2 0 241.379 0.877 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N(C)CCOCC[NH3+] ZINC000884438618 591934638 /nfs/dbraw/zinc/93/46/38/591934638.db2.gz GAGWKPLAJMUSAT-NSHDSACASA-N 2 0 245.367 0.054 20 0 BCADRP COCC[C@@H]([NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884449606 591937256 /nfs/dbraw/zinc/93/72/56/591937256.db2.gz JLTPPUSNBBFNAK-GHMZBOCLSA-N 2 0 243.351 0.080 20 0 BCADRP COCC[C@H]([NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884449607 591937835 /nfs/dbraw/zinc/93/78/35/591937835.db2.gz JLTPPUSNBBFNAK-MNOVXSKESA-N 2 0 243.351 0.080 20 0 BCADRP CO[C@@H](C[NH3+])C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000884451350 591938947 /nfs/dbraw/zinc/93/89/47/591938947.db2.gz MWDGQWDPIFHLLH-TUAOUCFPSA-N 2 0 249.314 0.413 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884458300 591940518 /nfs/dbraw/zinc/94/05/18/591940518.db2.gz BBRHNFVHKJDSKF-JEZHCXPESA-N 2 0 211.309 0.062 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884458889 591941192 /nfs/dbraw/zinc/94/11/92/591941192.db2.gz PIKKBKHVRALDJI-DCAQKATOSA-N 2 0 227.352 0.569 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C[C@](C)(O)C(F)F)C1 ZINC000886010838 592130114 /nfs/dbraw/zinc/13/01/14/592130114.db2.gz QMQZENVUQJBGQF-KOLCDFICSA-N 2 0 236.306 0.886 20 0 BCADRP [NH3+][C@@H](CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000137383860 592175599 /nfs/dbraw/zinc/17/55/99/592175599.db2.gz SZDVZKMMXRMNKV-JQWIXIFHSA-N 2 0 237.347 0.467 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C[C@H]([NH3+])C1CC1 ZINC000137385292 592175947 /nfs/dbraw/zinc/17/59/47/592175947.db2.gz QLSRZWBUZIGDPX-LBPRGKRZSA-N 2 0 241.379 0.914 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)CC1(C)C ZINC000886249041 592185734 /nfs/dbraw/zinc/18/57/34/592185734.db2.gz BKHXVXANWCMNKY-FIQHERPVSA-N 2 0 242.363 0.333 20 0 BCADRP C[NH+](CCO)[C@H]1CC[C@H]([N@H+](C)CCO)CC1 ZINC000886391865 592223166 /nfs/dbraw/zinc/22/31/66/592223166.db2.gz CCYVCFMQRJSBNW-HAQNSBGRSA-N 2 0 230.352 0.146 20 0 BCADRP [NH3+]C1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886827254 592350468 /nfs/dbraw/zinc/35/04/68/592350468.db2.gz HVBQGOMQELWKBU-JQWIXIFHSA-N 2 0 210.321 0.836 20 0 BCADRP C([C@H]1C[C@]12CCOC2)[N@@H+]1CCC[NH2+]CC1 ZINC000886827411 592350932 /nfs/dbraw/zinc/35/09/32/592350932.db2.gz KOQXJBUGLPWJOZ-NEPJUHHUSA-N 2 0 210.321 0.708 20 0 BCADRP [NH3+]C1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000886827253 592351311 /nfs/dbraw/zinc/35/13/11/592351311.db2.gz HVBQGOMQELWKBU-CMPLNLGQSA-N 2 0 210.321 0.836 20 0 BCADRP [NH3+]C1(C[NH2+]C[C@H]2C[C@@]23CCOC3)CCC1 ZINC000886832953 592355904 /nfs/dbraw/zinc/35/59/04/592355904.db2.gz QIRKEKLLWCBGFM-GHMZBOCLSA-N 2 0 210.321 0.884 20 0 BCADRP C[N@H+](C[C@H]1C[C@@]12CCOC2)C1CC([NH3+])C1 ZINC000886838320 592358738 /nfs/dbraw/zinc/35/87/38/592358738.db2.gz VJEKRDUEJNWNLJ-HBIQZDMRSA-N 2 0 210.321 0.835 20 0 BCADRP [NH3+]CC12CC(C1)C[N@@H+]2C[C@@H]1C[C@]12CCOC2 ZINC000886841539 592363850 /nfs/dbraw/zinc/36/38/50/592363850.db2.gz OBWFBKCDSINXHG-ZFQMDJOTSA-N 2 0 222.332 0.836 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1C[C@@]12CCOC2 ZINC000886841381 592364007 /nfs/dbraw/zinc/36/40/07/592364007.db2.gz JNKWDWIGOHQTJC-QWHCGFSZSA-N 2 0 242.363 0.581 20 0 BCADRP CCOC(=O)[C@@]1(F)CN(CCC[NH3+])C[C@@H]1CC ZINC000886860231 592371109 /nfs/dbraw/zinc/37/11/09/592371109.db2.gz WMUWVMNOQCTLLV-CMPLNLGQSA-N 2 0 246.326 0.948 20 0 BCADRP [NH2+]=C(NCC(F)F)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000887349985 592485314 /nfs/dbraw/zinc/48/53/14/592485314.db2.gz PVKBBXHNODBVGF-QMMMGPOBSA-N 2 0 246.305 0.850 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCC(F)F)C1 ZINC000887349728 592485482 /nfs/dbraw/zinc/48/54/82/592485482.db2.gz GSKZIYCNYWEJMJ-QMMMGPOBSA-N 2 0 234.294 0.707 20 0 BCADRP C[C@H](CNC(=[NH2+])NCC(F)F)C[NH+](C)C ZINC000887360715 592490664 /nfs/dbraw/zinc/49/06/64/592490664.db2.gz SWBTYSFOSKOEQW-SSDOTTSWSA-N 2 0 222.283 0.563 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)N(C)CC[NH+](C)C ZINC000890067837 592676989 /nfs/dbraw/zinc/67/69/89/592676989.db2.gz XGVAILIGCQJHDP-NSHDSACASA-N 2 0 242.367 0.284 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000925704969 634384388 /nfs/dbraw/zinc/38/43/88/634384388.db2.gz HBJDDDMTLRCGIP-NAKRPEOUSA-N 2 0 215.316 0.417 20 0 BCADRP C1CC2(C1)C[C@@H](N[C@@H]1C[NH2+]CCOC1)CC[NH2+]2 ZINC000925708013 634399481 /nfs/dbraw/zinc/39/94/81/634399481.db2.gz QRVVMILHVQKHHU-NWDGAFQWSA-N 2 0 239.363 0.239 20 0 BCADRP [NH3+][C@@H]1C[C@@H](NC[C@@H]2C[NH2+]CCCO2)C12CCC2 ZINC000925709633 634402956 /nfs/dbraw/zinc/40/29/56/634402956.db2.gz ORHJUXFBXCHMFQ-QJPTWQEYSA-N 2 0 239.363 0.224 20 0 BCADRP CC[C@H]([NH3+])CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925709700 634406590 /nfs/dbraw/zinc/40/65/90/634406590.db2.gz PXSKKWFGXFXUGH-KUYXLPFXSA-N 2 0 209.337 0.310 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NCCC[NH2+]C1CC1 ZINC000925709187 634407799 /nfs/dbraw/zinc/40/77/99/634407799.db2.gz ULRVAAMHEPUGCN-LLVKDONJSA-N 2 0 211.353 0.859 20 0 BCADRP CC[C@@H]([NH3+])CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925713932 634416121 /nfs/dbraw/zinc/41/61/21/634416121.db2.gz ZIYFTJWURYNWMB-MNOVXSKESA-N 2 0 211.353 0.988 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC[C@@H]1C[NH2+]CCCO1 ZINC000925712846 634416377 /nfs/dbraw/zinc/41/63/77/634416377.db2.gz VPJJIRHLZGCBCW-WDEREUQCSA-N 2 0 227.352 0.095 20 0 BCADRP CO[C@@H](C)C[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925713254 634417763 /nfs/dbraw/zinc/41/77/63/634417763.db2.gz SYSFKJDHMZHBSL-HGCLJGPKSA-N 2 0 228.336 0.363 20 0 BCADRP C[NH+](C)CCC[NH2+][C@@H]1COCC1(C)C ZINC000313024373 634439007 /nfs/dbraw/zinc/43/90/07/634439007.db2.gz FIFZUJWMPFVKEH-SNVBAGLBSA-N 2 0 200.326 0.953 20 0 BCADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]CCOCCF ZINC000925716528 634446395 /nfs/dbraw/zinc/44/63/95/634446395.db2.gz OMLOGHUEEVIMFV-IWDIQUIJSA-N 2 0 246.326 0.314 20 0 BCADRP C[N@@H+]1CCC[C@H]1CN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925716576 634448724 /nfs/dbraw/zinc/44/87/24/634448724.db2.gz AJUJMBSUYJVSBI-SRVKXCTJSA-N 2 0 223.364 0.940 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925717650 634454706 /nfs/dbraw/zinc/45/47/06/634454706.db2.gz CNOWFQXCZOZOGU-GHMZBOCLSA-N 3 0 227.352 0.082 20 0 BCADRP C[N@@H+]1CCC[C@H]1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925719418 634455850 /nfs/dbraw/zinc/45/58/50/634455850.db2.gz ROQLVSUIIVTNCU-VZKILSJISA-N 2 0 235.375 0.667 20 0 BCADRP CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027215673 634458811 /nfs/dbraw/zinc/45/88/11/634458811.db2.gz KWFTUUICERKPAX-NWDGAFQWSA-N 2 0 239.363 0.396 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000257693964 634469825 /nfs/dbraw/zinc/46/98/25/634469825.db2.gz OGYHTIXDQMLRCZ-VXGBXAGGSA-N 2 0 209.337 0.424 20 0 BCADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257712260 634478189 /nfs/dbraw/zinc/47/81/89/634478189.db2.gz TVPFLUUUKQIVCI-GFCCVEGCSA-N 3 0 223.364 0.671 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335516326 634481278 /nfs/dbraw/zinc/48/12/78/634481278.db2.gz VBNKRBKPGYFGDN-LBPRGKRZSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH2+]CCCN1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000108362724 634483301 /nfs/dbraw/zinc/48/33/01/634483301.db2.gz QKYCFMCQRKWCAR-GFCCVEGCSA-N 2 0 213.369 0.868 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CCC[C@]12CC[NH2+]C2 ZINC000257741602 634488039 /nfs/dbraw/zinc/48/80/39/634488039.db2.gz YYDSHONCTGYQRE-VXGBXAGGSA-N 2 0 209.337 0.424 20 0 BCADRP C[C@H]1C(=O)NCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000257794754 634500755 /nfs/dbraw/zinc/50/07/55/634500755.db2.gz RZUGAEHVYSOUQJ-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335639264 634504081 /nfs/dbraw/zinc/50/40/81/634504081.db2.gz NJXKDIAESNEWJK-JQWIXIFHSA-N 2 0 225.336 0.324 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH3+])C1 ZINC000236872143 634514704 /nfs/dbraw/zinc/51/47/04/634514704.db2.gz XRLSELDWDUPUBQ-JTQLQIEISA-N 2 0 227.352 0.524 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCNC1=O ZINC000925777109 635258097 /nfs/dbraw/zinc/25/80/97/635258097.db2.gz LFBKPVOCLJQMRP-QWRGUYRKSA-N 2 0 240.351 0.119 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](O)CC(C)C ZINC000226076686 635422047 /nfs/dbraw/zinc/42/20/47/635422047.db2.gz IBDBPQBACFBPOF-NWDGAFQWSA-N 2 0 232.368 0.737 20 0 BCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229256790 635468937 /nfs/dbraw/zinc/46/89/37/635468937.db2.gz MBXBAMCLOBOTPZ-VHSXEESVSA-N 2 0 225.336 0.324 20 0 BCADRP CCO[C@H](CN[C@@H]1CCC[NH2+][C@H]1C)C[NH+](C)C ZINC000925837309 635494882 /nfs/dbraw/zinc/49/48/82/635494882.db2.gz PCSBXTJSMDFGCV-YNEHKIRRSA-N 2 0 243.395 0.683 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCn1cncn1 ZINC000925835379 635489718 /nfs/dbraw/zinc/48/97/18/635489718.db2.gz OLEXGGHFILNAQB-FUNVUKJBSA-N 2 0 249.362 0.598 20 0 BCADRP CCO[C@H](CNC1CC[NH2+]CC1)C[NH+](C)C ZINC000925839118 635501964 /nfs/dbraw/zinc/50/19/64/635501964.db2.gz PTZCFSFZLPVXPX-GFCCVEGCSA-N 2 0 229.368 0.295 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CNC(=O)C1 ZINC000925840773 635503862 /nfs/dbraw/zinc/50/38/62/635503862.db2.gz WWTSYYAZTHOBMA-WOPDTQHZSA-N 2 0 239.363 0.620 20 0 BCADRP CN(C[C@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000234337017 635554422 /nfs/dbraw/zinc/55/44/22/635554422.db2.gz VLQMYTAMUGUPPC-DGCLKSJQSA-N 2 0 223.364 0.907 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000925880545 635607659 /nfs/dbraw/zinc/60/76/59/635607659.db2.gz RTJOSYANKOWHRB-YFKTTZPYSA-N 3 0 211.353 0.973 20 0 BCADRP C[C@@H]1NCCC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880408 635609259 /nfs/dbraw/zinc/60/92/59/635609259.db2.gz RDGZQYNQTABQBK-WHOHXGKFSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891451391 631352352 /nfs/dbraw/zinc/35/23/52/631352352.db2.gz MVODVXNQKDCXFR-GMTAPVOTSA-N 2 0 242.367 0.458 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891451400 631352941 /nfs/dbraw/zinc/35/29/41/631352941.db2.gz MVODVXNQKDCXFR-MXWKQRLJSA-N 2 0 242.367 0.458 20 0 BCADRP [NH3+]CCCCCC[N@@H+]1CCn2cnnc2C1 ZINC000081526133 631392279 /nfs/dbraw/zinc/39/22/79/631392279.db2.gz CXOAFBOKIIIXNY-UHFFFAOYSA-N 2 0 223.324 0.613 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[N@H+](C)C(C)(C)C1 ZINC000082560945 631408199 /nfs/dbraw/zinc/40/81/99/631408199.db2.gz MZJATYTWPPRUOV-NEPJUHHUSA-N 2 0 225.380 0.868 20 0 BCADRP C[C@H](CS(C)(=O)=O)[NH2+]CCC(C)(C)[NH3+] ZINC000308558938 631425857 /nfs/dbraw/zinc/42/58/57/631425857.db2.gz WDARDEQFHGMMCC-MRVPVSSYSA-N 2 0 222.354 0.137 20 0 BCADRP C[NH+](C)CC(C)(C)NC[C@H](O)C[NH+]1CCCC1 ZINC000308634704 631446655 /nfs/dbraw/zinc/44/66/55/631446655.db2.gz FQRBBVSHZUFASC-LBPRGKRZSA-N 2 0 243.395 0.373 20 0 BCADRP C[NH+](C)CC(C)(C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000308634702 631447483 /nfs/dbraw/zinc/44/74/83/631447483.db2.gz FQRBBVSHZUFASC-GFCCVEGCSA-N 2 0 243.395 0.373 20 0 BCADRP OC[C@H]1CC[N@@H+]1CCCCC[NH+]1CC[C@H]1CO ZINC000934016093 631610873 /nfs/dbraw/zinc/61/08/73/631610873.db2.gz DYPOZGMMIXEUJK-BETUJISGSA-N 2 0 242.363 0.290 20 0 BCADRP [NH3+]CCCCCCC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178719458 635670580 /nfs/dbraw/zinc/67/05/80/635670580.db2.gz GKHSJSDTKZHEKK-NSHDSACASA-N 2 0 227.352 0.764 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891962953 631641592 /nfs/dbraw/zinc/64/15/92/631641592.db2.gz UUOKBEJTZGCYTD-ZYHUDNBSSA-N 2 0 240.351 0.180 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000891999583 631697575 /nfs/dbraw/zinc/69/75/75/631697575.db2.gz LSJYIVAGUJSZLK-SNVBAGLBSA-N 2 0 242.367 0.413 20 0 BCADRP [NH3+]C/C=C\CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000892122387 631735602 /nfs/dbraw/zinc/73/56/02/631735602.db2.gz OCOPPUUMOYSSDC-MXQLGCADSA-N 2 0 226.324 0.024 20 0 BCADRP C[N@@H+]1CCN(C(=O)NC/C=C/C[NH3+])CC1(C)C ZINC000892122363 631735634 /nfs/dbraw/zinc/73/56/34/631735634.db2.gz NHMKDYOSZXKTPP-SNAWJCMRSA-N 2 0 240.351 0.237 20 0 BCADRP [NH3+]C/C=C\CNC(=O)NC1(C[NH3+])CCCCC1 ZINC000892122051 631735812 /nfs/dbraw/zinc/73/58/12/631735812.db2.gz LLMGMKJUEUDTRL-PLNGDYQASA-N 2 0 240.351 0.462 20 0 BCADRP [NH3+]C/C=C/CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892121499 631736287 /nfs/dbraw/zinc/73/62/87/631736287.db2.gz HFHVRCRLEQGCEN-DQARTPSPSA-N 2 0 238.335 0.037 20 0 BCADRP CC(C)CNC(=[NH2+])NC[C@@H](C)C[NH+](C)C ZINC000308924657 631746538 /nfs/dbraw/zinc/74/65/38/631746538.db2.gz PTBDZPNGPOYBIF-SNVBAGLBSA-N 2 0 214.357 0.954 20 0 BCADRP Cl/C=C\C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000308970705 631774691 /nfs/dbraw/zinc/77/46/91/631774691.db2.gz PEMGGVPPVYQXMI-NNRVYMOVSA-N 2 0 229.755 0.718 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000892199051 631778528 /nfs/dbraw/zinc/77/85/28/631778528.db2.gz IPNCWFMTRNGZGK-QEYWKRMJSA-N 2 0 228.340 0.243 20 0 BCADRP CC[NH2+]CC(=O)NCC[NH+](CC)CC ZINC000044646623 631818717 /nfs/dbraw/zinc/81/87/17/631818717.db2.gz GACPGTFFWCZNFE-UHFFFAOYSA-N 2 0 201.314 0.054 20 0 BCADRP CC[NH2+]CC(=O)N1CCC([NH+](C)C)CC1 ZINC000044647451 631819428 /nfs/dbraw/zinc/81/94/28/631819428.db2.gz XRVIZPSGKOACMD-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP Cc1cc(CNC(C[NH3+])C[NH3+])c(C)s1 ZINC000309087692 631875324 /nfs/dbraw/zinc/87/53/24/631875324.db2.gz ZYKAVMDWIRKFEU-UHFFFAOYSA-N 2 0 213.350 0.741 20 0 BCADRP COC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CC[C@H](C)C1 ZINC000849004790 631904046 /nfs/dbraw/zinc/90/40/46/631904046.db2.gz ZUGSSHGJPPXZJF-WDEREUQCSA-N 2 0 242.367 0.477 20 0 BCADRP CC(C)[N@H+](C)CCCNC1=[NH+]C[C@H](C)N1 ZINC000308841165 631904784 /nfs/dbraw/zinc/90/47/84/631904784.db2.gz YHFNGLFBUJEAAL-JTQLQIEISA-N 2 0 212.341 0.654 20 0 BCADRP CN(C[C@@H]([NH3+])CC(F)F)C[C@H]1CCC[N@@H+]1C ZINC000309167656 631926008 /nfs/dbraw/zinc/92/60/08/631926008.db2.gz ABKNWAOSAUZZIC-VHSXEESVSA-N 2 0 235.322 0.995 20 0 BCADRP Cn1ncc(C[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000309198677 631947019 /nfs/dbraw/zinc/94/70/19/631947019.db2.gz BAPWXTFEGMTMAW-UHFFFAOYSA-N 2 0 223.324 0.247 20 0 BCADRP O=C(C[C@@H]1CC[NH2+]C1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877393503 635697736 /nfs/dbraw/zinc/69/77/36/635697736.db2.gz YOEKNJFQXNKSJR-LOWVWBTDSA-N 2 0 237.347 0.387 20 0 BCADRP CC[NH2+]CC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250615808 635699884 /nfs/dbraw/zinc/69/98/84/635699884.db2.gz ILURUOMDZPQLPV-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP Cc1cccc([C@H](C)NC(C[NH3+])C[NH3+])c1 ZINC000309509251 632432288 /nfs/dbraw/zinc/43/22/88/632432288.db2.gz WVYHHTIESPQYDB-JTQLQIEISA-N 2 0 207.321 0.932 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]([NH3+])CCOC ZINC000052810344 632497835 /nfs/dbraw/zinc/49/78/35/632497835.db2.gz SPIMLRHMGHQIPD-GHMZBOCLSA-N 2 0 245.367 0.197 20 0 BCADRP [NH3+]CCCCCCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000309589616 632550587 /nfs/dbraw/zinc/55/05/87/632550587.db2.gz YJKLAJRRZWLNCZ-SNVBAGLBSA-N 2 0 213.325 0.455 20 0 BCADRP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H]1CCOC1 ZINC000309982519 632689405 /nfs/dbraw/zinc/68/94/05/632689405.db2.gz CHNTTXHAFYOESP-STQMWFEESA-N 2 0 242.363 0.411 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000310135445 632702718 /nfs/dbraw/zinc/70/27/18/632702718.db2.gz BJXDTNWMZGYWDA-NWDGAFQWSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH+](C)CCCNC(=[NH2+])NC1CCCC1 ZINC000052046937 632781094 /nfs/dbraw/zinc/78/10/94/632781094.db2.gz KNRFYXMXOUKQND-UHFFFAOYSA-N 2 0 212.341 0.995 20 0 BCADRP CC(C)NC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000052044951 632782418 /nfs/dbraw/zinc/78/24/18/632782418.db2.gz RTLSYYKNYREKHX-UHFFFAOYSA-N 2 0 200.330 0.849 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOC ZINC000066244978 632859449 /nfs/dbraw/zinc/85/94/49/632859449.db2.gz HZSFGNOHIBUONF-SNVBAGLBSA-N 2 0 228.340 0.021 20 0 BCADRP CNC(NC[C@H](CC(C)C)[NH+](C)C)=[NH+]C ZINC000066245063 632860112 /nfs/dbraw/zinc/86/01/12/632860112.db2.gz QKOBAYPYAAIPRZ-JTQLQIEISA-N 2 0 214.357 0.758 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000066244987 632860423 /nfs/dbraw/zinc/86/04/23/632860423.db2.gz BPJWDSGUHUENHP-SNVBAGLBSA-N 2 0 242.367 0.410 20 0 BCADRP CCNC(NCCC[N@H+](C)CCOC)=[NH+]CC ZINC000066245510 632862028 /nfs/dbraw/zinc/86/20/28/632862028.db2.gz RJTVUXYEUSVOMS-UHFFFAOYSA-N 2 0 244.383 0.530 20 0 BCADRP OCCCCCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000236495486 632950533 /nfs/dbraw/zinc/95/05/33/632950533.db2.gz DZKWPKADNDPCTJ-CYBMUJFWSA-N 2 0 244.379 0.585 20 0 BCADRP C[C@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C[NH2+]1 ZINC000892549487 632957294 /nfs/dbraw/zinc/95/72/94/632957294.db2.gz UFIQUWKVKVZHSI-XWLWVQCSSA-N 2 0 240.351 0.116 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCCCCCC[NH3+] ZINC000034486491 633097092 /nfs/dbraw/zinc/09/70/92/633097092.db2.gz KKGOXFKFVKGBEM-SECBINFHSA-N 2 0 201.314 0.359 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@H]1CC[NH2+]C1 ZINC000393440896 633169390 /nfs/dbraw/zinc/16/93/90/633169390.db2.gz ZAHBJOKXHWTONL-VWYCJHECSA-N 2 0 215.316 0.228 20 0 BCADRP C[C@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC000928429997 635913741 /nfs/dbraw/zinc/91/37/41/635913741.db2.gz FAWKZRDLHGACPA-JQWIXIFHSA-N 2 0 239.363 0.680 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000310135444 636006040 /nfs/dbraw/zinc/00/60/40/636006040.db2.gz BJXDTNWMZGYWDA-NEPJUHHUSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000120318376 636063533 /nfs/dbraw/zinc/06/35/33/636063533.db2.gz CILWSTGCNGEGOR-GRYCIOLGSA-N 2 0 239.363 0.762 20 0 BCADRP CC(=O)OC[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000309787295 633739894 /nfs/dbraw/zinc/73/98/94/633739894.db2.gz SWTWHZGGTPOTPI-SNVBAGLBSA-N 2 0 228.336 0.869 20 0 BCADRP OCCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328444577 633766356 /nfs/dbraw/zinc/76/63/56/633766356.db2.gz NPIUFDDXUJRREA-OBPIAQAESA-N 2 0 224.348 0.735 20 0 BCADRP CC[C@](C)(O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328491030 633773897 /nfs/dbraw/zinc/77/38/97/633773897.db2.gz NWXVKBPGDUWVTD-QYKGAGETSA-N 2 0 224.348 0.733 20 0 BCADRP C1CC1[N@@H+]1CC[C@@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000328509069 633774283 /nfs/dbraw/zinc/77/42/83/633774283.db2.gz ZTOGLUPRUVEGTC-UBHGWVTLSA-N 2 0 247.386 0.809 20 0 BCADRP COCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328569562 633777906 /nfs/dbraw/zinc/77/79/06/633777906.db2.gz QORCIXMSQBLQJN-KKJSVHSVSA-N 2 0 210.321 0.609 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328570405 633779458 /nfs/dbraw/zinc/77/94/58/633779458.db2.gz ROQLVSUIIVTNCU-VPCRRHSYSA-N 2 0 235.375 0.667 20 0 BCADRP C[C@H](O)CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328572554 633779673 /nfs/dbraw/zinc/77/96/73/633779673.db2.gz URTMCGDJIILTKJ-ASHHDVGLSA-N 2 0 224.348 0.733 20 0 BCADRP CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001019776047 633789937 /nfs/dbraw/zinc/78/99/37/633789937.db2.gz TXJRJOSTCVRSGU-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP C[N@@H+](C[C@H](O)CC1CCCC1)C[C@@H](O)C[NH3+] ZINC000309736462 633999231 /nfs/dbraw/zinc/99/92/31/633999231.db2.gz GPWPGOGILGOUQK-NEPJUHHUSA-N 2 0 230.352 0.179 20 0 BCADRP COC[C@@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000309854125 634031058 /nfs/dbraw/zinc/03/10/58/634031058.db2.gz JVLXHWZWFXBPOR-SRVKXCTJSA-N 2 0 228.336 0.210 20 0 BCADRP C[C@H](O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309984567 634031704 /nfs/dbraw/zinc/03/17/04/634031704.db2.gz CAJJCKJMKDTWEV-YNEHKIRRSA-N 2 0 242.363 0.146 20 0 BCADRP COCC[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925558324 634033755 /nfs/dbraw/zinc/03/37/55/634033755.db2.gz SYWWMOKYMBSRQO-RYUDHWBXSA-N 2 0 241.379 0.437 20 0 BCADRP C(C1CC1)[N@@H+]1CC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925557686 634033488 /nfs/dbraw/zinc/03/34/88/634033488.db2.gz PXVRLAMLUDVDEG-STQMWFEESA-N 2 0 239.363 0.049 20 0 BCADRP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H]1CCOC1 ZINC000309982516 634057938 /nfs/dbraw/zinc/05/79/38/634057938.db2.gz CHNTTXHAFYOESP-CHWSQXEVSA-N 2 0 242.363 0.411 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)C12CCC2 ZINC000925574807 634073014 /nfs/dbraw/zinc/07/30/14/634073014.db2.gz BUCCCSXDWROMJY-YUSALJHKSA-N 2 0 249.358 0.609 20 0 BCADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CC[C@@H]1[NH3+] ZINC000310319836 634117636 /nfs/dbraw/zinc/11/76/36/634117636.db2.gz YIHLLHNRSCLQBH-UPJWGTAASA-N 2 0 241.379 0.112 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925610006 634146930 /nfs/dbraw/zinc/14/69/30/634146930.db2.gz CCWCOKJZIGOISG-NQBHXWOUSA-N 2 0 244.379 0.879 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000925611778 634151879 /nfs/dbraw/zinc/15/18/79/634151879.db2.gz GGADRJYLUNNXJS-XQQFMLRXSA-N 2 0 241.379 0.173 20 0 BCADRP C[C@@H](CO)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925613233 634154897 /nfs/dbraw/zinc/15/48/97/634154897.db2.gz BHCYVBVHHINFTB-GUBZILKMSA-N 2 0 200.326 0.863 20 0 BCADRP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C12CCC2 ZINC000925616602 634164128 /nfs/dbraw/zinc/16/41/28/634164128.db2.gz SEOHBNJGKAWOGH-WHOHXGKFSA-N 2 0 222.332 0.783 20 0 BCADRP O[C@H]1CCCC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925646379 634200362 /nfs/dbraw/zinc/20/03/62/634200362.db2.gz UJEDKOMDFFPHFN-CLSQCYNNSA-N 2 0 236.359 0.876 20 0 BCADRP COC[C@@H](O)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925667820 634244541 /nfs/dbraw/zinc/24/45/41/634244541.db2.gz SLAORFCXEIABHR-DCAQKATOSA-N 2 0 230.352 0.489 20 0 BCADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1C[NH2+]CCOC1 ZINC000925674850 634259489 /nfs/dbraw/zinc/25/94/89/634259489.db2.gz DELRBNNZSPFQBD-QWHCGFSZSA-N 2 0 243.395 0.685 20 0 BCADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1C[NH2+]CCOC1 ZINC000925674851 634260563 /nfs/dbraw/zinc/26/05/63/634260563.db2.gz DELRBNNZSPFQBD-STQMWFEESA-N 2 0 243.395 0.685 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H]2CC[NH2+]C2)C1 ZINC000925687773 634303914 /nfs/dbraw/zinc/30/39/14/634303914.db2.gz AZVIPZCSZBGMSG-OUAUKWLOSA-N 2 0 211.353 0.844 20 0 BCADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C12CCC2 ZINC000925690940 634316283 /nfs/dbraw/zinc/31/62/83/634316283.db2.gz IENNUTNNGKKLEM-TUAOUCFPSA-N 3 0 223.364 0.846 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NCCCN1CC[NH2+]CC1 ZINC000925691853 634320753 /nfs/dbraw/zinc/32/07/53/634320753.db2.gz NFLQTKHCWMZHKV-LBPRGKRZSA-N 2 0 240.395 0.012 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CCC[NH2+]C1)[NH2+]2 ZINC000925691937 634321869 /nfs/dbraw/zinc/32/18/69/634321869.db2.gz NQQPCDDRZNTCEB-MLGHIDQZSA-N 2 0 223.364 0.857 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@@H](O)C1 ZINC000925692924 634322075 /nfs/dbraw/zinc/32/20/75/634322075.db2.gz PGRCLFGCULLGEM-ZELOZIKASA-N 2 0 210.321 0.615 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CCC[NH2+]C1)[NH2+]2 ZINC000925691943 634322439 /nfs/dbraw/zinc/32/24/39/634322439.db2.gz NQQPCDDRZNTCEB-SJHCENCUSA-N 2 0 223.364 0.857 20 0 BCADRP C[NH2+]CCN[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925692605 634325653 /nfs/dbraw/zinc/32/56/53/634325653.db2.gz NEQNXSHODUYFQN-ZYHUDNBSSA-N 2 0 207.321 0.884 20 0 BCADRP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000925693090 634327834 /nfs/dbraw/zinc/32/78/34/634327834.db2.gz OIXJTJJMOSVNHA-HBNTYKKESA-N 2 0 209.337 0.598 20 0 BCADRP [NH3+][C@@H]1C[C@@H](NC[C@H]2CCCC[NH2+]2)C12CCC2 ZINC000925694094 634331420 /nfs/dbraw/zinc/33/14/20/634331420.db2.gz QSVORVHZDCPRBI-IJLUTSLNSA-N 2 0 223.364 0.988 20 0 BCADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)C12CCC2 ZINC000925694336 634337438 /nfs/dbraw/zinc/33/74/38/634337438.db2.gz SZGFGKKZTBIOKH-NWDGAFQWSA-N 3 0 223.364 0.846 20 0 BCADRP C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[NH2+]1 ZINC000925694776 634339419 /nfs/dbraw/zinc/33/94/19/634339419.db2.gz SWXBGEUJIUEITG-WDEREUQCSA-N 2 0 209.337 0.613 20 0 BCADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925695200 634339593 /nfs/dbraw/zinc/33/95/93/634339593.db2.gz UHERTANBWWVNED-WFQJECDVSA-N 3 0 235.375 0.572 20 0 BCADRP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]CCCC[NH+](C)C ZINC000310091428 634351166 /nfs/dbraw/zinc/35/11/66/634351166.db2.gz JPMQZOSSOIGTRL-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP [NH3+]C[C@H](N[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925697060 634360845 /nfs/dbraw/zinc/36/08/45/634360845.db2.gz DEZYJMTXBNCXJU-WDEREUQCSA-N 2 0 209.337 0.598 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NCC1=CC[NH2+]CC1 ZINC000925699977 634367790 /nfs/dbraw/zinc/36/77/90/634367790.db2.gz QTHSEVWPWKESRL-PWSUYJOCSA-N 2 0 209.337 0.636 20 0 BCADRP COCC[NH2+]CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925699974 634368206 /nfs/dbraw/zinc/36/82/06/634368206.db2.gz QSKOUAYNAPRRRU-LBPRGKRZSA-N 2 0 241.379 0.487 20 0 BCADRP C[C@@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)CC[NH2+]1 ZINC000925700754 634372188 /nfs/dbraw/zinc/37/21/88/634372188.db2.gz SLFWVTUWRCFDMQ-WISYIIOYSA-N 2 0 223.364 0.986 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000857107464 634376025 /nfs/dbraw/zinc/37/60/25/634376025.db2.gz WAXLDMVUZZASTI-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424030641 635153513 /nfs/dbraw/zinc/15/35/13/635153513.db2.gz RGYCXUQRRDVROR-NTZNESFSSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000925769066 635190234 /nfs/dbraw/zinc/19/02/34/635190234.db2.gz XYLCYGTVGQLEQV-NNYUYHANSA-N 2 0 230.352 0.632 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1C[NH2+]CCC1(F)F ZINC000925775941 635249773 /nfs/dbraw/zinc/24/97/73/635249773.db2.gz IIJORCQPWOZMKR-BBBLOLIVSA-N 2 0 233.306 0.701 20 0 BCADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925792932 635323266 /nfs/dbraw/zinc/32/32/66/635323266.db2.gz XCKISMFDRQGOOS-DBIOUOCHSA-N 2 0 200.326 0.855 20 0 BCADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ncc[nH]1 ZINC000925809824 635364189 /nfs/dbraw/zinc/36/41/89/635364189.db2.gz AGIVDZRLJOYDPA-JTQLQIEISA-N 2 0 237.351 0.483 20 0 BCADRP CC[C@H](CO)[NH2+]CCC[NH2+][C@@H](CC)CO ZINC000006411932 635376050 /nfs/dbraw/zinc/37/60/50/635376050.db2.gz XYVQJSNDVKVJBX-PHIMTYICSA-N 2 0 218.341 0.098 20 0 BCADRP CC[C@H](CO)[NH2+]CCC[NH2+][C@H](CC)CO ZINC000006412483 635376403 /nfs/dbraw/zinc/37/64/03/635376403.db2.gz XYVQJSNDVKVJBX-GHMZBOCLSA-N 2 0 218.341 0.098 20 0 BCADRP C[C@H]([NH2+]CCO[C@H]1CCOC1)[C@@H]1CCC[NH2+]C1 ZINC000925874407 635595376 /nfs/dbraw/zinc/59/53/76/635595376.db2.gz JIZFZAQIGIYQPT-XQQFMLRXSA-N 2 0 242.363 0.770 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335641843 635886372 /nfs/dbraw/zinc/88/63/72/635886372.db2.gz WVJNFKAFDDXEAM-MWLCHTKSSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335640751 635886489 /nfs/dbraw/zinc/88/64/89/635886489.db2.gz SMPYTISUHHEYFQ-PWSUYJOCSA-N 2 0 225.336 0.468 20 0 BCADRP COC(=O)N[C@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000310498194 636190320 /nfs/dbraw/zinc/19/03/20/636190320.db2.gz IRELPAYIVZEDLH-NSHDSACASA-N 2 0 243.351 0.936 20 0 BCADRP C[NH+]1CCC(C[NH2+]C(C)(C)CO)CC1 ZINC000054240430 636236169 /nfs/dbraw/zinc/23/61/69/636236169.db2.gz KVWRMRINNWRICN-UHFFFAOYSA-N 2 0 200.326 0.689 20 0 BCADRP CN1CC[C@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000054243557 636242598 /nfs/dbraw/zinc/24/25/98/636242598.db2.gz SAZPDZVEIHHDGE-LBPRGKRZSA-N 2 0 211.353 0.622 20 0 BCADRP C[NH+]1CCC(C[NH2+]C[C@H]2COCCO2)CC1 ZINC000054243354 636242755 /nfs/dbraw/zinc/24/27/55/636242755.db2.gz JMZYNDVKPIDGEH-LBPRGKRZSA-N 2 0 228.336 0.333 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000870934232 636384668 /nfs/dbraw/zinc/38/46/68/636384668.db2.gz HWMLXEOHXXPZQP-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000870934581 636384790 /nfs/dbraw/zinc/38/47/90/636384790.db2.gz CAZSDDIUYZAMGD-DCAQKATOSA-N 2 0 225.336 0.372 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000987529991 636652903 /nfs/dbraw/zinc/65/29/03/636652903.db2.gz FRGVHNIWJRCWDF-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H](CC(=O)NC[C@@H](C)C[NH3+])C1CC[NH2+]CC1 ZINC000237338777 636713052 /nfs/dbraw/zinc/71/30/52/636713052.db2.gz UWSPDUZTZPOAEM-WDEREUQCSA-N 2 0 241.379 0.723 20 0 BCADRP CON1CCC([NH2+]CCC[NH+](C)C)CC1 ZINC000323138955 636902582 /nfs/dbraw/zinc/90/25/82/636902582.db2.gz WRXDVMKIDDNGHJ-UHFFFAOYSA-N 2 0 215.341 0.554 20 0 BCADRP CC(C)C(=O)NCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000089140043 636904612 /nfs/dbraw/zinc/90/46/12/636904612.db2.gz CGYHBPLYAIUEQA-NEPJUHHUSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)C(=O)NCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000089140044 636904778 /nfs/dbraw/zinc/90/47/78/636904778.db2.gz CGYHBPLYAIUEQA-NWDGAFQWSA-N 2 0 241.379 0.866 20 0 BCADRP CC[NH+]1CCC(N[C@@H]2CC[N@H+](C)C2)CC1 ZINC000042543897 637280257 /nfs/dbraw/zinc/28/02/57/637280257.db2.gz SCLIBCJPGXYPDB-GFCCVEGCSA-N 2 0 211.353 0.764 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CCCON)[C@H](C)C1 ZINC000902419717 637302772 /nfs/dbraw/zinc/30/27/72/637302772.db2.gz JSCIXWHMNKCZPG-MNOVXSKESA-N 2 0 215.341 0.587 20 0 BCADRP C[C@@H](O)C[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000903463858 637364323 /nfs/dbraw/zinc/36/43/23/637364323.db2.gz PTGVPHYNCMVDCW-MXWKQRLJSA-N 2 0 212.337 0.687 20 0 BCADRP C[C@H](O)C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000903463873 637364439 /nfs/dbraw/zinc/36/44/39/637364439.db2.gz QOHZDTFJGTYFFP-AXFHLTTASA-N 2 0 212.337 0.959 20 0 BCADRP Cn1nccc1[C@@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000903566036 637370684 /nfs/dbraw/zinc/37/06/84/637370684.db2.gz HQKKPGANQQKEGB-LBPRGKRZSA-N 2 0 238.335 0.532 20 0 BCADRP CC[N@H+](CCCC1CC[NH2+]CC1)CCC(N)=O ZINC000903577748 637373095 /nfs/dbraw/zinc/37/30/95/637373095.db2.gz UFHULYKODWLVBC-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@H]1C[N@H+](Cc2ccn(C)n2)CC[C@H]1C[NH3+] ZINC000903789617 637383700 /nfs/dbraw/zinc/38/37/00/637383700.db2.gz YMZKTABHRMIMSP-QWRGUYRKSA-N 2 0 222.336 0.837 20 0 BCADRP Cc1cc(C)nc(CN2CCC[C@@]([NH3+])(CO)C2)c1 ZINC000903789650 637384014 /nfs/dbraw/zinc/38/40/14/637384014.db2.gz YWXCFFZBKWBMHS-AWEZNQCLSA-N 2 0 249.358 0.984 20 0 BCADRP COC(=O)C(C)(C)CC[NH2+]CC1([NH3+])CC1 ZINC000904443562 637410530 /nfs/dbraw/zinc/41/05/30/637410530.db2.gz LSMGOZZNMUQKRV-UHFFFAOYSA-N 2 0 214.309 0.657 20 0 BCADRP [NH3+]C1(CNCc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000904444270 637415192 /nfs/dbraw/zinc/41/51/92/637415192.db2.gz PJAJXEQLWINACT-UHFFFAOYSA-N 2 0 238.360 0.370 20 0 BCADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CCCON ZINC000904457410 637418927 /nfs/dbraw/zinc/41/89/27/637418927.db2.gz NLPTVZIMAKZMPA-VHSXEESVSA-N 2 0 201.314 0.387 20 0 BCADRP C[C@@]1(C[NH2+]CCCON)CCC[NH2+]C1 ZINC000904457465 637419174 /nfs/dbraw/zinc/41/91/74/637419174.db2.gz PZYPVFIEVYDWKE-SNVBAGLBSA-N 2 0 201.314 0.246 20 0 BCADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCCON ZINC000904457408 637419498 /nfs/dbraw/zinc/41/94/98/637419498.db2.gz NLPTVZIMAKZMPA-NXEZZACHSA-N 2 0 201.314 0.387 20 0 BCADRP C[C@@H]1C[C@@H](C[NH2+]CCCON)CC[NH2+]1 ZINC000904458265 637421379 /nfs/dbraw/zinc/42/13/79/637421379.db2.gz WGBZJQGRQNEGIN-ZJUUUORDSA-N 2 0 201.314 0.245 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+][C@@]2(C)CCNC2=O)CC[NH2+]1 ZINC000904469974 637422517 /nfs/dbraw/zinc/42/25/17/637422517.db2.gz SSJZJTMVGZXEDS-FOGDFJRCSA-N 2 0 225.336 0.243 20 0 BCADRP CCN(CCC(=O)NC)C[C@H]([NH3+])CC(C)C ZINC000904468419 637423943 /nfs/dbraw/zinc/42/39/43/637423943.db2.gz CFCRHHLCPIMAPW-LLVKDONJSA-N 2 0 229.368 0.818 20 0 BCADRP [NH3+]CC1CC([NH2+][C@H]2COC[C@@H]2C2CC2)C1 ZINC000904476764 637424932 /nfs/dbraw/zinc/42/49/32/637424932.db2.gz RBVUABRHXUNGMZ-PPUYLDTBSA-N 2 0 210.321 0.738 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000904926606 637531076 /nfs/dbraw/zinc/53/10/76/637531076.db2.gz VWJKXFLWKMQTIM-PWSUYJOCSA-N 2 0 229.368 0.994 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000904928930 637531099 /nfs/dbraw/zinc/53/10/99/637531099.db2.gz OGRJFLMGMMARJI-DGCLKSJQSA-N 2 0 239.363 0.857 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000904926641 637531616 /nfs/dbraw/zinc/53/16/16/637531616.db2.gz WQEZGRFFMGSUFP-NWDGAFQWSA-N 2 0 227.352 0.748 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N(C)C1(C[NH3+])CCC1 ZINC000904930702 637533464 /nfs/dbraw/zinc/53/34/64/637533464.db2.gz GUULHZGCGTVSNW-NSHDSACASA-N 2 0 227.352 0.844 20 0 BCADRP C[NH+](C)CCn1cc([C@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000905061399 637595171 /nfs/dbraw/zinc/59/51/71/637595171.db2.gz GJNGABPFAYVOCT-QWRGUYRKSA-N 2 0 239.323 0.019 20 0 BCADRP C[NH+](C)CCn1cc([C@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000905061398 637596639 /nfs/dbraw/zinc/59/66/39/637596639.db2.gz GJNGABPFAYVOCT-MNOVXSKESA-N 2 0 239.323 0.019 20 0 BCADRP C[NH+](C)CCOCC[NH2+]C[C@@](C)(O)C(F)F ZINC000905199152 637691607 /nfs/dbraw/zinc/69/16/07/637691607.db2.gz FGXBWKGNIIUSOH-SNVBAGLBSA-N 2 0 240.294 0.170 20 0 BCADRP C(c1noc([C@H]2CC23C[NH2+]C3)n1)C1CC[NH2+]CC1 ZINC000905312814 637741985 /nfs/dbraw/zinc/74/19/85/637741985.db2.gz DODAKVUJNHEVRG-SNVBAGLBSA-N 2 0 248.330 0.689 20 0 BCADRP [NH3+]C1(c2noc([C@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)CCC1 ZINC000905305249 637761968 /nfs/dbraw/zinc/76/19/68/637761968.db2.gz PZLAZSTVIPULNO-VGMNWLOBSA-N 2 0 234.303 0.730 20 0 BCADRP [NH3+][C@H]1C[C@@H](c2nc(CC3CC[NH2+]CC3)no2)C1 ZINC000905307949 637765887 /nfs/dbraw/zinc/76/58/87/637765887.db2.gz BPGDZABDCDARQW-AOOOYVTPSA-N 2 0 236.319 0.816 20 0 BCADRP CC(C)[NH+](CCCNC(=O)C[NH3+])C(C)C ZINC000906086695 638046863 /nfs/dbraw/zinc/04/68/63/638046863.db2.gz PVAUCHZXIYTLLP-UHFFFAOYSA-N 2 0 215.341 0.570 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000906092205 638048431 /nfs/dbraw/zinc/04/84/31/638048431.db2.gz UYIOECQVOJPVTM-IJLUTSLNSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000906092067 638049354 /nfs/dbraw/zinc/04/93/54/638049354.db2.gz HBHGNFNBJYGIBF-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]C1CC([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000906511441 638184364 /nfs/dbraw/zinc/18/43/64/638184364.db2.gz SWXSBPZDZIFQPV-UHFFFAOYSA-N 3 0 231.343 0.912 20 0 BCADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000906518902 638188373 /nfs/dbraw/zinc/18/83/73/638188373.db2.gz UMEQJHZTDMARCB-JOCQHMNTSA-N 3 0 231.343 0.912 20 0 BCADRP [NH3+][C@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000906517591 638188602 /nfs/dbraw/zinc/18/86/02/638188602.db2.gz IBJBOIAAYDHPEH-NJMOYASZSA-N 2 0 223.364 0.986 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000906640877 638225753 /nfs/dbraw/zinc/22/57/53/638225753.db2.gz UBOUBFJEWQGQPD-NSHDSACASA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000043605468 638648095 /nfs/dbraw/zinc/64/80/95/638648095.db2.gz CMNZQZVFOQBWFM-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C)[NH+](C)C ZINC000908414516 638699772 /nfs/dbraw/zinc/69/97/72/638699772.db2.gz QARFTAWPPWQJPS-SRVKXCTJSA-N 2 0 241.379 0.878 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000911627867 639687653 /nfs/dbraw/zinc/68/76/53/639687653.db2.gz CZQDIRRZRILUPR-WDEREUQCSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)NC1CC[NH2+]CC1 ZINC000911629065 639689307 /nfs/dbraw/zinc/68/93/07/639689307.db2.gz SOGQJFYAIPCCJO-SNVBAGLBSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)CO)C2)CC1 ZINC000930310343 639695294 /nfs/dbraw/zinc/69/52/94/639695294.db2.gz FRPIOWDQFVHYQX-LBPRGKRZSA-N 2 0 242.363 0.147 20 0 BCADRP C[C@@H](O)[C@H](O)CN(C)CCC[NH+]1CCCC1 ZINC000930310825 639696724 /nfs/dbraw/zinc/69/67/24/639696724.db2.gz PWRLKTDREJZLNV-VXGBXAGGSA-N 2 0 230.352 0.146 20 0 BCADRP [NH3+]Cc1ccccc1C(=O)NCC1CC[NH2+]CC1 ZINC000911671856 639696767 /nfs/dbraw/zinc/69/67/67/639696767.db2.gz DSXBBYWGUGLGIE-UHFFFAOYSA-N 2 0 247.342 0.875 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000911671719 639697175 /nfs/dbraw/zinc/69/71/75/639697175.db2.gz AOCFJYVYLVUOSC-CMPLNLGQSA-N 2 0 241.379 0.866 20 0 BCADRP O=C(N1CC[NH2+]CC1)C(F)(F)C1CC[NH2+]CC1 ZINC000911646952 639698008 /nfs/dbraw/zinc/69/80/08/639698008.db2.gz IKJHVEOMPXUWSU-UHFFFAOYSA-N 2 0 247.289 0.053 20 0 BCADRP [NH3+][C@@H](C(=O)N1CC[NH2+]CC1)C1CCCCCC1 ZINC000911647077 639698596 /nfs/dbraw/zinc/69/85/96/639698596.db2.gz OJNDFPAKJFZLKQ-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)NCC1CC[NH2+]CC1 ZINC000911672266 639698738 /nfs/dbraw/zinc/69/87/38/639698738.db2.gz JYJYKROKSAKQBA-GFCCVEGCSA-N 2 0 241.379 0.866 20 0 BCADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000911647268 639701508 /nfs/dbraw/zinc/70/15/08/639701508.db2.gz XUCYJMHDOKYIEQ-UWVGGRQHSA-N 2 0 225.336 0.359 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC000911647508 639702083 /nfs/dbraw/zinc/70/20/83/639702083.db2.gz DQXXZKKTYQOPSN-NSHDSACASA-N 2 0 227.352 0.749 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@@H]([NH3+])CC(C)C ZINC000911676149 639718369 /nfs/dbraw/zinc/71/83/69/639718369.db2.gz IHCXTZCUKFUJIQ-JTQLQIEISA-N 2 0 215.341 0.476 20 0 BCADRP CC[NH2+]CCCNC(=O)C[C@@H]([NH3+])CCSC ZINC000911687442 639725500 /nfs/dbraw/zinc/72/55/00/639725500.db2.gz FGOLKRKJGWKHST-JTQLQIEISA-N 2 0 247.408 0.573 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])C1 ZINC000911686224 639726600 /nfs/dbraw/zinc/72/66/00/639726600.db2.gz YRYGAVKWGYWSJK-YYJSSNLHSA-N 2 0 239.363 0.713 20 0 BCADRP CN(C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)C1CC[NH2+]CC1 ZINC000911692512 639726898 /nfs/dbraw/zinc/72/68/98/639726898.db2.gz PVJVFSJIPQQNFA-GRYCIOLGSA-N 2 0 237.347 0.052 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000911713760 639739858 /nfs/dbraw/zinc/73/98/58/639739858.db2.gz KDQFKWAPWXXDJL-IJLUTSLNSA-N 2 0 239.363 0.429 20 0 BCADRP O=C(NC[C@H]1CCCC[NH2+]1)C1=CCC[NH2+]CC1 ZINC000911712456 639740242 /nfs/dbraw/zinc/74/02/42/639740242.db2.gz BILKFTWVSNIUJL-GFCCVEGCSA-N 2 0 237.347 0.555 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000911712816 639740542 /nfs/dbraw/zinc/74/05/42/639740542.db2.gz DSMMWARDWSIWBE-TUAOUCFPSA-N 2 0 239.363 0.701 20 0 BCADRP C[NH2+]C1(C(=O)NC[C@@H]2CCCC[NH2+]2)CCC1 ZINC000911714365 639740557 /nfs/dbraw/zinc/74/05/57/639740557.db2.gz PLAOZTZOBXQCFY-JTQLQIEISA-N 2 0 225.336 0.387 20 0 BCADRP C[NH2+]C1(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CCC1 ZINC000911719748 639742427 /nfs/dbraw/zinc/74/24/27/639742427.db2.gz OUDWGLZDTCQVAJ-MNOVXSKESA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H](NC(=O)CC1CC([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000911721219 639744644 /nfs/dbraw/zinc/74/46/44/639744644.db2.gz UJPYWAUBUTWVET-ZYGVAYEYSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)(C[NH3+])CC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000911706168 639759573 /nfs/dbraw/zinc/75/95/73/639759573.db2.gz FCOWASNNESYXRL-SNVBAGLBSA-N 2 0 227.352 0.559 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712672063 711474449 /nfs/dbraw/zinc/47/44/49/711474449.db2.gz GANSASAYGXPONF-QWRGUYRKSA-N 2 0 241.379 0.912 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911736549 639762032 /nfs/dbraw/zinc/76/20/32/639762032.db2.gz LOQYBDMCIOXFHU-IRCOFANPSA-N 2 0 237.347 0.337 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000911737046 639762122 /nfs/dbraw/zinc/76/21/22/639762122.db2.gz QWPDOHIZEWFPTG-SDDRHHMPSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](O)[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930461391 639762893 /nfs/dbraw/zinc/76/28/93/639762893.db2.gz VXCOWRSEHALIJF-UVYIHGJDSA-N 2 0 242.363 0.285 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])C(=O)N1CC[C@H](C[NH3+])C1 ZINC000911737919 639765259 /nfs/dbraw/zinc/76/52/59/639765259.db2.gz FDNOHSHFTDKNMD-YPMHNXCESA-N 2 0 241.379 0.805 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911737512 639765512 /nfs/dbraw/zinc/76/55/12/639765512.db2.gz BBXUHHUVMXULLB-UWVGGRQHSA-N 2 0 227.352 0.557 20 0 BCADRP C[NH2+]CCNC(=O)C[C@@H]([NH3+])CC(C)C ZINC000911748029 639773340 /nfs/dbraw/zinc/77/33/40/639773340.db2.gz IBCADGJJSMMEGG-VIFPVBQESA-N 2 0 201.314 0.086 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC000911748509 639773819 /nfs/dbraw/zinc/77/38/19/639773819.db2.gz NWUAVYWBPALOEA-NSHDSACASA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]CCNC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911749065 639775401 /nfs/dbraw/zinc/77/54/01/639775401.db2.gz VYBCOQJZNFZUBV-MRVPVSSYSA-N 2 0 201.314 0.086 20 0 BCADRP CC[NH2+]CCNC(=O)[C@](C)(C[NH3+])CC(C)C ZINC000911750454 639775765 /nfs/dbraw/zinc/77/57/65/639775765.db2.gz JYSDQPCIGIJIJZ-LBPRGKRZSA-N 2 0 229.368 0.723 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911750982 639776644 /nfs/dbraw/zinc/77/66/44/639776644.db2.gz HJUDXEBLCVRYIG-RYUDHWBXSA-N 2 0 239.363 0.727 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000911751266 639776932 /nfs/dbraw/zinc/77/69/32/639776932.db2.gz VDDBFAKJFODQNE-NSHDSACASA-N 2 0 227.352 0.585 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]([NH3+])C[C@@H](C)CC ZINC000911751032 639777735 /nfs/dbraw/zinc/77/77/35/639777735.db2.gz TUGUJXQOLIUCHR-UWVGGRQHSA-N 2 0 215.341 0.476 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911751562 639778757 /nfs/dbraw/zinc/77/87/57/639778757.db2.gz MDZLPPVWHWGADO-DCAQKATOSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]Cc1ccccc1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911752328 639779411 /nfs/dbraw/zinc/77/94/11/639779411.db2.gz VDNUZGIAVRKVJD-LLVKDONJSA-N 2 0 233.315 0.627 20 0 BCADRP CC(C)(C[NH3+])CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911751499 639779874 /nfs/dbraw/zinc/77/98/74/639779874.db2.gz KTLCUTCQQOPHQX-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911753395 639781027 /nfs/dbraw/zinc/78/10/27/639781027.db2.gz AEKZZLOFUFQMOP-MXWKQRLJSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)CC(C)(C)C[NH3+])CC1 ZINC000911753186 639781266 /nfs/dbraw/zinc/78/12/66/639781266.db2.gz JMTMSKXMRJYIRT-JTQLQIEISA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000911731372 639786722 /nfs/dbraw/zinc/78/67/22/639786722.db2.gz UWDZUEDONHMGIC-QWRGUYRKSA-N 2 0 225.336 0.419 20 0 BCADRP CCCN(C(=O)[C@@H]1C[C@@H]1C[NH3+])[C@H]1CC[NH2+]C1 ZINC000911766475 639790627 /nfs/dbraw/zinc/79/06/27/639790627.db2.gz DXHLTOXDKIUYBM-OUAUKWLOSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]C1(C(=O)NCC[C@@H]2CC[NH2+]C2)CCC1 ZINC000911765978 639791391 /nfs/dbraw/zinc/79/13/91/639791391.db2.gz CLVWKVCTFPCRBF-JTQLQIEISA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+]C1(C(=O)NC[C@H]([NH3+])c2ccccc2)CCC1 ZINC000911765446 639791653 /nfs/dbraw/zinc/79/16/53/639791653.db2.gz VAMRPFQQGJWOIF-LBPRGKRZSA-N 2 0 247.342 0.945 20 0 BCADRP C[NH+](C)C1(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000911769898 639792749 /nfs/dbraw/zinc/79/27/49/639792749.db2.gz XCBILCSRAKOXMX-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+]Cc1ccccc1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911766641 639793856 /nfs/dbraw/zinc/79/38/56/639793856.db2.gz GYHHMLMHOYACBV-NSHDSACASA-N 2 0 247.342 0.875 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911768000 639794146 /nfs/dbraw/zinc/79/41/46/639794146.db2.gz NXIKFVIGBWYXHZ-SDDRHHMPSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)(C[NH3+])CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911768974 639794227 /nfs/dbraw/zinc/79/42/27/639794227.db2.gz QVPVZODVOYBRCA-JTQLQIEISA-N 2 0 227.352 0.477 20 0 BCADRP CCCN(C(=O)CC(C)(C)C[NH3+])[C@@H]1CC[NH2+]C1 ZINC000911766972 639794531 /nfs/dbraw/zinc/79/45/31/639794531.db2.gz ILFLDNHMQYTUHH-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000911773088 639796137 /nfs/dbraw/zinc/79/61/37/639796137.db2.gz AKIGAAKHYAYZSL-SRVKXCTJSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)C[C@H]([NH3+])CC(C)C)C1 ZINC000911777872 639798181 /nfs/dbraw/zinc/79/81/81/639798181.db2.gz MEZZRIKTUKKFPG-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H](Cc1c[nH]cn1)C(=O)NC(C)(C)C[NH3+] ZINC000911761813 639802610 /nfs/dbraw/zinc/80/26/10/639802610.db2.gz IMBOSBOELRQTMR-QMMMGPOBSA-N 2 0 224.308 0.442 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH3+] ZINC000911814897 639803561 /nfs/dbraw/zinc/80/35/61/639803561.db2.gz VWEOWINTGSZOPM-WDEREUQCSA-N 2 0 227.352 0.665 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911814943 639803908 /nfs/dbraw/zinc/80/39/08/639803908.db2.gz WJACWHRVAFZLJX-RKDXNWHRSA-N 2 0 215.341 0.556 20 0 BCADRP CN(C(=O)CCSCCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000911787702 639805205 /nfs/dbraw/zinc/80/52/05/639805205.db2.gz KIFYCNBOATVLIY-SNVBAGLBSA-N 2 0 245.392 0.279 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCC([NH2+]C)CC1 ZINC000911787818 639805975 /nfs/dbraw/zinc/80/59/75/639805975.db2.gz VULOJFOBHBKZAL-JQWIXIFHSA-N 2 0 241.379 0.960 20 0 BCADRP CN(C(=O)C[C@H]([NH3+])C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000911787168 639806169 /nfs/dbraw/zinc/80/61/69/639806169.db2.gz HUBUMADTYWBSLQ-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1C[C@H](C(=O)N(C)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000911789882 639806941 /nfs/dbraw/zinc/80/69/41/639806941.db2.gz YAPQZXNKJOWRFW-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH+]1CCC[C@@H]1CN1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000930543812 639808026 /nfs/dbraw/zinc/80/80/26/639808026.db2.gz GUJARTOPKBMCGI-JHJVBQTASA-N 2 0 223.364 0.717 20 0 BCADRP CC[C@H](CO)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000930560003 639811489 /nfs/dbraw/zinc/81/14/89/639811489.db2.gz XWWUXUOSXGOKEV-NEPJUHHUSA-N 2 0 212.337 0.785 20 0 BCADRP C[NH2+]C1CC(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC000911795708 639818645 /nfs/dbraw/zinc/81/86/45/639818645.db2.gz KQGXXVHIQTVVOT-IXBNRNDTSA-N 2 0 225.336 0.193 20 0 BCADRP C[C@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000911794433 639818764 /nfs/dbraw/zinc/81/87/64/639818764.db2.gz FLXLTDDTYSLTOH-JBLDHEPKSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000911797510 639819201 /nfs/dbraw/zinc/81/92/01/639819201.db2.gz RIUATWNBVRKOLA-WISYIIOYSA-N 2 0 239.363 0.441 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000911798929 639820509 /nfs/dbraw/zinc/82/05/09/639820509.db2.gz AVAADMYNXPOXQA-GHMZBOCLSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]1CN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)C[C@H](C)[NH2+]1 ZINC000911799574 639820670 /nfs/dbraw/zinc/82/06/70/639820670.db2.gz HURDOEDGENQBBQ-ZPFDUUQYSA-N 2 0 237.347 0.195 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000911800114 639822929 /nfs/dbraw/zinc/82/29/29/639822929.db2.gz NFDZFFYKDWTHLF-GRYCIOLGSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000911800119 639823189 /nfs/dbraw/zinc/82/31/89/639823189.db2.gz NFDZFFYKDWTHLF-SRVKXCTJSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)(C[NH3+])CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911802363 639823569 /nfs/dbraw/zinc/82/35/69/639823569.db2.gz JFFKFODCCDMRQQ-LBPRGKRZSA-N 2 0 227.352 0.605 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccccc2C[NH3+])CC[NH2+]1 ZINC000911801857 639824394 /nfs/dbraw/zinc/82/43/94/639824394.db2.gz GIHYHEVJSVSXJX-SNVBAGLBSA-N 2 0 233.315 0.579 20 0 BCADRP C[C@H]1CN(C(=O)CC(C)(C)C[NH3+])CC[NH2+]1 ZINC000911808593 639829263 /nfs/dbraw/zinc/82/92/63/639829263.db2.gz FOPROPSHABPBEH-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000911808561 639829611 /nfs/dbraw/zinc/82/96/11/639829611.db2.gz DZCUGTSDCYQMKR-GMTAPVOTSA-N 2 0 225.336 0.052 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])C1 ZINC000911825936 639837532 /nfs/dbraw/zinc/83/75/32/639837532.db2.gz PCOPPEHCRVPGOX-HBIQZDMRSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000911824974 639837612 /nfs/dbraw/zinc/83/76/12/639837612.db2.gz FIWOIUBCPCVFQD-AXFHLTTASA-N 2 0 229.368 0.849 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])[C@H]1C[NH3+] ZINC000911825965 639837864 /nfs/dbraw/zinc/83/78/64/639837864.db2.gz PGDUAVDGAAAHRQ-DBIOUOCHSA-N 2 0 225.336 0.167 20 0 BCADRP C[NH2+]CCCCC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000911823670 639837870 /nfs/dbraw/zinc/83/78/70/639837870.db2.gz MKOAMOCYTVFFEB-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])C1 ZINC000911823638 639837954 /nfs/dbraw/zinc/83/79/54/639837954.db2.gz MDZBZKKQTRKHGE-UKKRHICBSA-N 2 0 225.336 0.167 20 0 BCADRP C[C@@H]1CCCN(C(=O)CC(C)(C)C[NH3+])[C@H]1C[NH3+] ZINC000911823421 639838092 /nfs/dbraw/zinc/83/80/92/639838092.db2.gz KSQQRMOPRZMHBC-MNOVXSKESA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911828085 639838632 /nfs/dbraw/zinc/83/86/32/639838632.db2.gz YXIPBJHATONIFT-NHCYSSNCSA-N 2 0 225.336 0.086 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911827090 639838759 /nfs/dbraw/zinc/83/87/59/639838759.db2.gz RSYICSLDVWURHM-UWVGGRQHSA-N 2 0 229.368 0.849 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000911828091 639838819 /nfs/dbraw/zinc/83/88/19/639838819.db2.gz YYCAJMKIUZZTMG-NEPJUHHUSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911827900 639838917 /nfs/dbraw/zinc/83/89/17/639838917.db2.gz XUXBPVQXDRPXNE-LNFKQOIKSA-N 2 0 225.336 0.226 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C23CC(C2)C[NH2+]3)C1 ZINC000911827620 639839023 /nfs/dbraw/zinc/83/90/23/639839023.db2.gz XQOVWSUOXKFSHH-YLXHPXFOSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H]1CN(C(=O)C23CCC(CC2)[NH2+]3)CC[C@@H]1[NH3+] ZINC000911827975 639839725 /nfs/dbraw/zinc/83/97/25/639839725.db2.gz YMQSCNOXNWYXLQ-URAGZPLESA-N 2 0 237.347 0.467 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000911828094 639839856 /nfs/dbraw/zinc/83/98/56/639839856.db2.gz YYCAJMKIUZZTMG-VXGBXAGGSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CC(C)(C)C[NH3+])C1 ZINC000911826961 639839942 /nfs/dbraw/zinc/83/99/42/639839942.db2.gz VIDQRIVOSGGKLI-QWRGUYRKSA-N 2 0 241.379 0.947 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)NC[C@H]([NH3+])C(C)C ZINC000911830102 639841074 /nfs/dbraw/zinc/84/10/74/639841074.db2.gz OQQUSKFGFYNLTJ-UWVGGRQHSA-N 2 0 247.408 0.556 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911832226 639843450 /nfs/dbraw/zinc/84/34/50/639843450.db2.gz GXLLIMWDFRRMFJ-INTQDDNPSA-N 2 0 227.352 0.603 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911832225 639843703 /nfs/dbraw/zinc/84/37/03/639843703.db2.gz GXLLIMWDFRRMFJ-GDPRMGEGSA-N 2 0 227.352 0.603 20 0 BCADRP C[NH2+]C1CC(C(=O)N[C@@](C)(C[NH3+])C(C)C)C1 ZINC000911833193 639843712 /nfs/dbraw/zinc/84/37/12/639843712.db2.gz HTWRQAUGGPMREH-CBINBANVSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000911832979 639843812 /nfs/dbraw/zinc/84/38/12/639843812.db2.gz XIYHKZAJXKWABN-VWYCJHECSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@@H]1CN(C(=O)C2=CCC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000911818403 639849651 /nfs/dbraw/zinc/84/96/51/639849651.db2.gz MLJFPKZXEJJTIR-PWSUYJOCSA-N 2 0 237.347 0.492 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)CC(C)(C)C[NH3+] ZINC000911817520 639850162 /nfs/dbraw/zinc/85/01/62/639850162.db2.gz DURSYPCOVNVNRZ-SNVBAGLBSA-N 2 0 229.368 0.851 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911864553 639852240 /nfs/dbraw/zinc/85/22/40/639852240.db2.gz RHLPCUPUOSLJDF-WHOHXGKFSA-N 2 0 237.347 0.052 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911868095 639853298 /nfs/dbraw/zinc/85/32/98/639853298.db2.gz LYIWCINDJNRASU-MJDLHHQISA-N 2 0 237.347 0.180 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911870014 639853340 /nfs/dbraw/zinc/85/33/40/639853340.db2.gz GVSGVJNYFIDVAP-MXWKQRLJSA-N 2 0 227.352 0.413 20 0 BCADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)N1CC[NH2+]CC1(C)C ZINC000911845806 639855089 /nfs/dbraw/zinc/85/50/89/639855089.db2.gz DJUJQZJZIMJDKD-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP O=C(N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911855414 639859587 /nfs/dbraw/zinc/85/95/87/639859587.db2.gz FCSRXBHRWUSTRY-NMKXLXIOSA-N 2 0 249.358 0.481 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)CC1CC([NH3+])C1 ZINC000911878516 639865133 /nfs/dbraw/zinc/86/51/33/639865133.db2.gz HZASPIXVGCWARU-VQXHTEKXSA-N 2 0 227.352 0.748 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C1([NH+](C)C)CC1 ZINC000911878961 639865507 /nfs/dbraw/zinc/86/55/07/639865507.db2.gz IOXQAKRZDLWGGY-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H](C(=O)N[C@@]1(C)C[NH+]2CCC1CC2)[NH+](C)C ZINC000912375487 640046080 /nfs/dbraw/zinc/04/60/80/640046080.db2.gz XEIBTKUWWMTCPV-MFKMUULPSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH+]1C[C@]2(C)CN([C@H]3CCNC3=O)C[C@@]2(C)C1 ZINC000931310747 640145873 /nfs/dbraw/zinc/14/58/73/640145873.db2.gz MUEYSTZJWCWKBG-CYZMBNFOSA-N 2 0 237.347 0.149 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCOC3=O)C[C@@H]2C1 ZINC000931433578 640201232 /nfs/dbraw/zinc/20/12/32/640201232.db2.gz CSIQCXWFCGKTDU-OUAUKWLOSA-N 2 0 224.304 0.185 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC000931433264 640201647 /nfs/dbraw/zinc/20/16/47/640201647.db2.gz VRTITFQUQMDXOM-UPJWGTAASA-N 2 0 224.348 0.906 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](CC3(C)COC3)C[C@@H]2C1 ZINC000931434928 640202492 /nfs/dbraw/zinc/20/24/92/640202492.db2.gz BQCPWZZZAGHYKL-NEPJUHHUSA-N 2 0 224.348 0.906 20 0 BCADRP COC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435176 640204103 /nfs/dbraw/zinc/20/41/03/640204103.db2.gz HYFFNHSSXXQHNW-GRYCIOLGSA-N 2 0 212.337 0.905 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N1CCC[NH2+]CC1 ZINC000129470575 640208853 /nfs/dbraw/zinc/20/88/53/640208853.db2.gz RWZXFXBUHOEDBF-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912902718 640244965 /nfs/dbraw/zinc/24/49/65/640244965.db2.gz IQRFBESBJUGXIM-NEPJUHHUSA-N 2 0 237.347 0.387 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCC2)C1)[NH+](C)C ZINC000912903558 640249688 /nfs/dbraw/zinc/24/96/88/640249688.db2.gz NFYMLEQQVXGVED-WDEREUQCSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@H](CO)[NH2+]C/C=C\C[NH2+][C@@H](CC)CO ZINC000931771427 640362277 /nfs/dbraw/zinc/36/22/77/640362277.db2.gz JHYIGWYIEHTCOL-DLXAAPBESA-N 2 0 230.352 0.264 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCCNC2=O)CC1 ZINC000044518341 640398402 /nfs/dbraw/zinc/39/84/02/640398402.db2.gz CNGBVYHJIGACGO-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP CCS(=O)(=O)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000044518213 640399202 /nfs/dbraw/zinc/39/92/02/640399202.db2.gz POXRVTKBLCFRSX-UHFFFAOYSA-N 2 0 248.392 0.353 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000055088158 640430778 /nfs/dbraw/zinc/43/07/78/640430778.db2.gz YFIMFRPNZOIRBN-VXGBXAGGSA-N 2 0 239.363 0.716 20 0 BCADRP CC[NH2+]CC(=O)N(C)C1CC[NH+](CC)CC1 ZINC000044647344 640445384 /nfs/dbraw/zinc/44/53/84/640445384.db2.gz ITVROZVYHBTPEX-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000044647540 640446418 /nfs/dbraw/zinc/44/64/18/640446418.db2.gz DRIUZTGAZSWRHR-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044651690 640448657 /nfs/dbraw/zinc/44/86/57/640448657.db2.gz MNASCCLDJCHJMI-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164406871 640482558 /nfs/dbraw/zinc/48/25/58/640482558.db2.gz RDVMLUUHVAXUSF-YFKTTZPYSA-N 2 0 228.336 0.053 20 0 BCADRP C[NH2+]CCN(C)C(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000157076946 640569602 /nfs/dbraw/zinc/56/96/02/640569602.db2.gz ZICHGAHTCCHNPM-VXGBXAGGSA-N 2 0 241.379 0.690 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](O)CC(C)C ZINC000226076678 640727795 /nfs/dbraw/zinc/72/77/95/640727795.db2.gz IBDBPQBACFBPOF-VXGBXAGGSA-N 2 0 232.368 0.737 20 0 BCADRP CC(C)C[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000226102097 640733473 /nfs/dbraw/zinc/73/34/73/640733473.db2.gz PULWXFXFKPYUIL-OLZOCXBDSA-N 2 0 244.379 0.440 20 0 BCADRP C[C@@H](CO)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933737197 640759458 /nfs/dbraw/zinc/75/94/58/640759458.db2.gz LRCDKWHULDRCFL-GRYCIOLGSA-N 2 0 212.337 0.498 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C[NH2+]CC ZINC000226407250 640762811 /nfs/dbraw/zinc/76/28/11/640762811.db2.gz BDXNBNYLAGDZAR-UHFFFAOYSA-N 2 0 215.341 0.444 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000227649924 640844342 /nfs/dbraw/zinc/84/43/42/640844342.db2.gz HVAVLGKJGZVSJR-NEPJUHHUSA-N 2 0 211.353 0.764 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000227652331 640844362 /nfs/dbraw/zinc/84/43/62/640844362.db2.gz XBQRXOMYDWWWBX-FRRDWIJNSA-N 2 0 225.380 0.868 20 0 BCADRP CCOCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228987838 640909957 /nfs/dbraw/zinc/90/99/57/640909957.db2.gz FTNAENCCEWSWIA-MNOVXSKESA-N 2 0 200.326 0.940 20 0 BCADRP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229257127 640939335 /nfs/dbraw/zinc/93/93/35/640939335.db2.gz OEDGSFOZYDSVSH-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000230063785 641011086 /nfs/dbraw/zinc/01/10/86/641011086.db2.gz WKKSMHLICHUMDT-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP C[N@H+](CCNC(=O)CC[NH2+]C(C)(C)C)C1CC1 ZINC000062010184 641014865 /nfs/dbraw/zinc/01/48/65/641014865.db2.gz DCKJNXBQXYLLQQ-UHFFFAOYSA-N 2 0 241.379 0.975 20 0 BCADRP CCCNC(=[NH2+])NCCC[NH+]1CCCC1 ZINC000062072539 641019772 /nfs/dbraw/zinc/01/97/72/641019772.db2.gz PXOGQTWDWCNLQS-UHFFFAOYSA-N 2 0 212.341 0.996 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC000087766633 641021756 /nfs/dbraw/zinc/02/17/56/641021756.db2.gz UTYFGDGUQAMLQQ-LLVKDONJSA-N 2 0 222.336 0.504 20 0 BCADRP CO[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000230315867 641047418 /nfs/dbraw/zinc/04/74/18/641047418.db2.gz HTKCLJAPZHEWCZ-JTQLQIEISA-N 2 0 202.298 0.073 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H]([NH3+])CCOC ZINC000230711662 641086706 /nfs/dbraw/zinc/08/67/06/641086706.db2.gz SMHHHCZMISJHNY-LLVKDONJSA-N 2 0 245.367 0.150 20 0 BCADRP C[NH+]1CCC(C[NH2+]CCCOCCO)CC1 ZINC000230784025 641095936 /nfs/dbraw/zinc/09/59/36/641095936.db2.gz UJFSKSPUBLMLMR-UHFFFAOYSA-N 2 0 230.352 0.317 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062904276 641106664 /nfs/dbraw/zinc/10/66/64/641106664.db2.gz IPXRMUXOPLROKL-GFCCVEGCSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062972619 641113534 /nfs/dbraw/zinc/11/35/34/641113534.db2.gz IDQCHKIYVBDQMA-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP CC(C)([NH3+])C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973317 641114087 /nfs/dbraw/zinc/11/40/87/641114087.db2.gz TYXJYVLSSLZBKB-NSHDSACASA-N 2 0 239.363 0.811 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062972989 641114165 /nfs/dbraw/zinc/11/41/65/641114165.db2.gz NYXFAOHKZXYPRF-NSHDSACASA-N 2 0 225.336 0.293 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973576 641114283 /nfs/dbraw/zinc/11/42/83/641114283.db2.gz FXYSAFKQYAXBSG-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200415 641144509 /nfs/dbraw/zinc/14/45/09/641144509.db2.gz GOKGARYTRXUUNA-ZYHUDNBSSA-N 2 0 212.337 0.831 20 0 BCADRP CC[C@@H](C(N)=O)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200505 641144889 /nfs/dbraw/zinc/14/48/89/641144889.db2.gz OEVHKTMRYSQRHS-NEPJUHHUSA-N 2 0 239.363 0.714 20 0 BCADRP C[N@@H+](Cc1cnc(N)cn1)CC1CC[NH+](C)CC1 ZINC000231299735 641158282 /nfs/dbraw/zinc/15/82/82/641158282.db2.gz KXXJERUXSWEKHM-UHFFFAOYSA-N 2 0 249.362 0.832 20 0 BCADRP [NH3+]C[C@H]1CC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307943008 641199576 /nfs/dbraw/zinc/19/95/76/641199576.db2.gz QVVPKYPKTRISSR-HTQZYQBOSA-N 2 0 226.242 0.580 20 0 BCADRP CC(C)[C@@H](C(=O)NC12CC[NH+](CC1)C2)[NH+](C)C ZINC000913629812 641433941 /nfs/dbraw/zinc/43/39/41/641433941.db2.gz NPZCHIWXQCXSTC-NSHDSACASA-N 2 0 239.363 0.537 20 0 BCADRP C[NH+](C)CC1(C(=O)NC23CC[NH+](CC2)C3)CC1 ZINC000913635578 641437476 /nfs/dbraw/zinc/43/74/76/641437476.db2.gz KLLQMMBDFKOSTD-UHFFFAOYSA-N 2 0 237.347 0.293 20 0 BCADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000935976174 641511728 /nfs/dbraw/zinc/51/17/28/641511728.db2.gz JWORTDJPVJNNRY-NWDGAFQWSA-N 2 0 241.379 0.926 20 0 BCADRP CCN(CC)C(=O)C[N@H+](C)CC1CC[NH2+]CC1 ZINC000043497653 641565224 /nfs/dbraw/zinc/56/52/24/641565224.db2.gz GRMNZTUWHZBWDI-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000155545232 641575004 /nfs/dbraw/zinc/57/50/04/641575004.db2.gz PVHXCVCNWVHJOY-QWRGUYRKSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000925408561 641668064 /nfs/dbraw/zinc/66/80/64/641668064.db2.gz QATZVGXGWFNWAX-WDEREUQCSA-N 2 0 240.351 0.036 20 0 BCADRP CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015705128 641882610 /nfs/dbraw/zinc/88/26/10/641882610.db2.gz IEJCNUGJEOOMCS-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])C[C@H](C)[NH2+]1 ZINC000153973659 641934667 /nfs/dbraw/zinc/93/46/67/641934667.db2.gz BKRZCLGVQLVQEJ-YFKTTZPYSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+]CCCCCC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000154135287 641967439 /nfs/dbraw/zinc/96/74/39/641967439.db2.gz KQJJJVQEOFTZDJ-LLVKDONJSA-N 2 0 227.352 0.845 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000154132640 641967721 /nfs/dbraw/zinc/96/77/21/641967721.db2.gz PBTSMHCZQGTTKN-SNVBAGLBSA-N 2 0 213.325 0.374 20 0 BCADRP C[C@H]1CN(C(=O)CCCCC[NH3+])C[C@H](C)[NH2+]1 ZINC000154146826 641969965 /nfs/dbraw/zinc/96/99/65/641969965.db2.gz KVJSKSRAZAMBRW-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]1CN(C(=O)CCCCC[NH3+])CC[NH2+]1 ZINC000154148014 641971110 /nfs/dbraw/zinc/97/11/10/641971110.db2.gz UPSNCQAJTZCITP-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971200249 642323668 /nfs/dbraw/zinc/32/36/68/642323668.db2.gz FWUGUXJYAGRZIO-VXGBXAGGSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@](C[NH3+])(NC(=O)C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000154956039 642327419 /nfs/dbraw/zinc/32/74/19/642327419.db2.gz FBIHDOGEMIVXHB-CMPLNLGQSA-N 2 0 225.336 0.372 20 0 BCADRP CC[NH2+]CC(=O)NCC[N@H+](C)C1CCCC1 ZINC000070946090 642447686 /nfs/dbraw/zinc/44/76/86/642447686.db2.gz SVBYRDSUIVYEPN-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP C([C@H]1CCOC1)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000257711167 642508394 /nfs/dbraw/zinc/50/83/94/642508394.db2.gz SXQKSAUOXSKPMD-NEPJUHHUSA-N 2 0 210.321 0.851 20 0 BCADRP COCC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000305963641 642715273 /nfs/dbraw/zinc/71/52/73/642715273.db2.gz XICSLKMQTLZEKY-WODVXLOZSA-N 2 0 242.363 0.599 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000237550051 642715802 /nfs/dbraw/zinc/71/58/02/642715802.db2.gz NYJPONZHXAHPBW-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237950850 642764806 /nfs/dbraw/zinc/76/48/06/642764806.db2.gz PMPCCQOZJAZCHO-IJLUTSLNSA-N 2 0 239.363 0.844 20 0 BCADRP [NH3+]CC1(CCNC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000652205338 642789212 /nfs/dbraw/zinc/78/92/12/642789212.db2.gz UZQHXSOYGWQARP-SNVBAGLBSA-N 2 0 240.351 0.167 20 0 BCADRP CCCN(C[C@@H](O)COC)[C@@H]1CC[NH2+]C1 ZINC000068892353 642806606 /nfs/dbraw/zinc/80/66/06/642806606.db2.gz ZBVJDNOIOVAXMP-GHMZBOCLSA-N 2 0 216.325 0.068 20 0 BCADRP CCOC[C@H](O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000068949980 642813893 /nfs/dbraw/zinc/81/38/93/642813893.db2.gz IRXGQSJDHCBAIV-CMPLNLGQSA-N 2 0 230.352 0.443 20 0 BCADRP CCOC[C@H](O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000068949977 642814058 /nfs/dbraw/zinc/81/40/58/642814058.db2.gz IRXGQSJDHCBAIV-ZYHUDNBSSA-N 2 0 230.352 0.443 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000069054620 642820455 /nfs/dbraw/zinc/82/04/55/642820455.db2.gz KGMDMWMPEZVAGN-XQQFMLRXSA-N 2 0 242.363 0.458 20 0 BCADRP CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000969077558 642823624 /nfs/dbraw/zinc/82/36/24/642823624.db2.gz WMIFZBDTPUGBKU-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010384177 642861867 /nfs/dbraw/zinc/86/18/67/642861867.db2.gz KPNNNSZZMBUWAM-NWDGAFQWSA-N 2 0 239.363 0.680 20 0 BCADRP CCS(=O)(=O)CC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626426 642885862 /nfs/dbraw/zinc/88/58/62/642885862.db2.gz PBPVJIVKPVEOHS-LLVKDONJSA-N 2 0 248.392 0.482 20 0 BCADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000252208576 642887501 /nfs/dbraw/zinc/88/75/01/642887501.db2.gz XPPADZHVTXIMON-UTUOFQBUSA-N 2 0 211.353 0.763 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130961093 642995156 /nfs/dbraw/zinc/99/51/56/642995156.db2.gz MFYGTWGYBQNFQJ-LOWDOPEQSA-N 2 0 242.363 0.443 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)[NH+](C)C ZINC000070254647 643002473 /nfs/dbraw/zinc/00/24/73/643002473.db2.gz QRJBOHHCFYKPKN-QWRGUYRKSA-N 2 0 239.363 0.442 20 0 BCADRP CCC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001019396341 643031747 /nfs/dbraw/zinc/03/17/47/643031747.db2.gz WMIFZBDTPUGBKU-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP CCNC(=[NH2+])NCC[N@H+](C)C1CCCC1 ZINC000070946486 643086861 /nfs/dbraw/zinc/08/68/61/643086861.db2.gz UVSZEUJCNCAJMF-UHFFFAOYSA-N 2 0 212.341 0.995 20 0 BCADRP CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031976971 643147136 /nfs/dbraw/zinc/14/71/36/643147136.db2.gz UQGNMWQSFJVUDE-ZYHUDNBSSA-N 2 0 239.363 0.252 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)COC ZINC000234701277 643165342 /nfs/dbraw/zinc/16/53/42/643165342.db2.gz ASYJZTJAZXAKEY-VHSXEESVSA-N 2 0 204.314 0.365 20 0 BCADRP CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000969409526 643168334 /nfs/dbraw/zinc/16/83/34/643168334.db2.gz CKHKDTULTUFSEW-ZYHUDNBSSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CCC2)CC[N@@H+]1C ZINC000925339213 643218279 /nfs/dbraw/zinc/21/82/79/643218279.db2.gz WWVFFOVDUCFBFV-MNOVXSKESA-N 2 0 240.351 0.084 20 0 BCADRP CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001020589953 643222150 /nfs/dbraw/zinc/22/21/50/643222150.db2.gz IMWYFKIDEAGHCO-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C(C)C)C1)[NH+](C)C ZINC000969986054 643262315 /nfs/dbraw/zinc/26/23/15/643262315.db2.gz QHENUCFPZYDOFO-NEPJUHHUSA-N 2 0 241.379 0.926 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCC[N@H+](C)CC1 ZINC000082248506 643283365 /nfs/dbraw/zinc/28/33/65/643283365.db2.gz ZPQCQDOLVLNLGE-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H]1C(=O)NCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000082475511 643318744 /nfs/dbraw/zinc/31/87/44/643318744.db2.gz XLUOOJCSUMSVQS-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP CC[NH+]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000082560325 643343747 /nfs/dbraw/zinc/34/37/47/643343747.db2.gz HOQANBGQAVXKDF-NEPJUHHUSA-N 2 0 211.353 0.479 20 0 BCADRP CNC(=O)CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000082672347 643364938 /nfs/dbraw/zinc/36/49/38/643364938.db2.gz JNNAEUOLMPNBLO-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP [NH3+]CC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000082681374 643367421 /nfs/dbraw/zinc/36/74/21/643367421.db2.gz GKXNLDMGYJVVRS-MRVPVSSYSA-N 2 0 226.242 0.580 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](CO)C2)CC1 ZINC000082946414 643391021 /nfs/dbraw/zinc/39/10/21/643391021.db2.gz UTSICIVHWSYRDX-GFCCVEGCSA-N 2 0 212.337 0.642 20 0 BCADRP CC(C)[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001021045975 643394967 /nfs/dbraw/zinc/39/49/67/643394967.db2.gz LATJHWKNRWVVPO-HAQNSBGRSA-N 2 0 239.363 0.727 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000160291894 643395616 /nfs/dbraw/zinc/39/56/16/643395616.db2.gz LYTCIMIAIXDIPH-BBBLOLIVSA-N 2 0 211.309 0.064 20 0 BCADRP COCC[N@H+](CCC[NH3+])C1CCOCC1 ZINC000068955279 643437623 /nfs/dbraw/zinc/43/76/23/643437623.db2.gz OZMZRSTVTLDKQD-UHFFFAOYSA-N 2 0 216.325 0.463 20 0 BCADRP CCOC[C@@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000068953515 643437729 /nfs/dbraw/zinc/43/77/29/643437729.db2.gz MERLSXFQWDGPCF-NSHDSACASA-N 2 0 216.325 0.055 20 0 BCADRP C[C@H](O)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000082992815 643528242 /nfs/dbraw/zinc/52/82/42/643528242.db2.gz MXKCHMBBJLXTTI-JTQLQIEISA-N 2 0 200.326 0.689 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)CCCCCC[NH3+])C1 ZINC000160483579 643638778 /nfs/dbraw/zinc/63/87/78/643638778.db2.gz NXNULCMZCJQZNM-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCn1cccn1 ZINC000084216445 643650300 /nfs/dbraw/zinc/65/03/00/643650300.db2.gz ZIPRWWDQCIMXOS-NWDGAFQWSA-N 2 0 222.336 0.990 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCn1cccn1 ZINC000084216442 643650634 /nfs/dbraw/zinc/65/06/34/643650634.db2.gz ZIPRWWDQCIMXOS-VXGBXAGGSA-N 2 0 222.336 0.990 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216960 643651103 /nfs/dbraw/zinc/65/11/03/643651103.db2.gz QFZUZICXBBJBDO-OUAUKWLOSA-N 2 0 216.325 0.101 20 0 BCADRP C[C@@H](CCO)C[NH2+]CC1CC[NH+](C)CC1 ZINC000085126135 643685411 /nfs/dbraw/zinc/68/54/11/643685411.db2.gz FILLGSTYDBSSPR-NSHDSACASA-N 2 0 214.353 0.936 20 0 BCADRP CC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000999490732 643736730 /nfs/dbraw/zinc/73/67/30/643736730.db2.gz SJGZFNNJDABBBA-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP CCOC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000085869988 643824422 /nfs/dbraw/zinc/82/44/22/643824422.db2.gz SELFCLLEXVJDQC-UHFFFAOYSA-N 2 0 214.309 0.751 20 0 BCADRP CC(C)NC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000085870008 643824566 /nfs/dbraw/zinc/82/45/66/643824566.db2.gz FMCHCTAPODJBMQ-UHFFFAOYSA-N 2 0 227.352 0.713 20 0 BCADRP CCCNC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000085870016 643824625 /nfs/dbraw/zinc/82/46/25/643824625.db2.gz NJMGOQOOSQEVRL-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921928463 643828434 /nfs/dbraw/zinc/82/84/34/643828434.db2.gz CISVAZXIARYFQS-GFCCVEGCSA-N 2 0 239.319 0.189 20 0 BCADRP CCCN(C(=O)CC[C@@H](C)[NH3+])[C@@H]1CC[NH2+]C1 ZINC000193170362 644219560 /nfs/dbraw/zinc/21/95/60/644219560.db2.gz BTLRVJSCVPTRDA-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)COC[C@@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000923276768 644309211 /nfs/dbraw/zinc/30/92/11/644309211.db2.gz CHENPPXYICRROT-ZDUSSCGKSA-N 2 0 244.379 0.691 20 0 BCADRP CC(C)OCC[C@@H](O)C[NH+]1CCC([NH3+])CC1 ZINC000923276988 644310073 /nfs/dbraw/zinc/31/00/73/644310073.db2.gz IPYBKOITOUCHTG-GFCCVEGCSA-N 2 0 230.352 0.586 20 0 BCADRP CC(C)OCC[C@@H](O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000923279384 644311188 /nfs/dbraw/zinc/31/11/88/644311188.db2.gz NDBAFFPQVXRXIJ-CYBMUJFWSA-N 2 0 244.379 0.846 20 0 BCADRP [NH3+][C@@H]1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923278395 644312276 /nfs/dbraw/zinc/31/22/76/644312276.db2.gz SSXPHGINAQDLQR-HYWTVENDSA-N 2 0 223.364 0.940 20 0 BCADRP [NH3+]C[C@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000923280980 644315162 /nfs/dbraw/zinc/31/51/62/644315162.db2.gz MRSRCHYWLLBBEP-LLVKDONJSA-N 2 0 211.353 0.799 20 0 BCADRP C[NH2+][C@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923284908 644316910 /nfs/dbraw/zinc/31/69/10/644316910.db2.gz WUBMCSCHMVXBTP-RYUDHWBXSA-N 2 0 239.363 0.049 20 0 BCADRP C[NH2+][C@@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923284906 644317994 /nfs/dbraw/zinc/31/79/94/644317994.db2.gz WUBMCSCHMVXBTP-NEPJUHHUSA-N 2 0 239.363 0.049 20 0 BCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000923282578 644318823 /nfs/dbraw/zinc/31/88/23/644318823.db2.gz VWEIZYOGXMNXIE-VXGBXAGGSA-N 2 0 230.352 0.301 20 0 BCADRP C[C@@H]1CN(CCC[NH2+]C2CC2)C[C@H](C)[NH2+]1 ZINC000923285083 644318978 /nfs/dbraw/zinc/31/89/78/644318978.db2.gz ANDAKZQSCXISIW-PHIMTYICSA-N 2 0 211.353 0.811 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923287806 644320717 /nfs/dbraw/zinc/32/07/17/644320717.db2.gz GOSPJJPKHKBUIV-GMTAPVOTSA-N 2 0 232.393 0.770 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000923287805 644321480 /nfs/dbraw/zinc/32/14/80/644321480.db2.gz GOSPJJPKHKBUIV-GARJFASQSA-N 2 0 232.393 0.770 20 0 BCADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923290206 644322838 /nfs/dbraw/zinc/32/28/38/644322838.db2.gz VVUZPEXRICCANU-AGIUHOORSA-N 2 0 244.379 0.832 20 0 BCADRP CCOCCOCC[NH+]1CCC(C[NH2+]C)CC1 ZINC000923290451 644322989 /nfs/dbraw/zinc/32/29/89/644322989.db2.gz NQNJVMIJLYYATN-UHFFFAOYSA-N 2 0 244.379 0.971 20 0 BCADRP CCOCC[C@H](O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000923300071 644326158 /nfs/dbraw/zinc/32/61/58/644326158.db2.gz NLLVJRZOPJPAIX-RYUDHWBXSA-N 2 0 232.368 0.737 20 0 BCADRP CCOCC[C@H](O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000923292523 644328717 /nfs/dbraw/zinc/32/87/17/644328717.db2.gz XTTSJDMBHMQCPF-ZDUSSCGKSA-N 2 0 244.379 0.705 20 0 BCADRP CCOCC[C@@H](O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000923294033 644329516 /nfs/dbraw/zinc/32/95/16/644329516.db2.gz DJUDPNMMFZHZHB-LLVKDONJSA-N 2 0 232.368 0.691 20 0 BCADRP C[N@H+](C[C@@H](O)Cn1cccn1)CC(C)(C)C[NH3+] ZINC000923294425 644332396 /nfs/dbraw/zinc/33/23/96/644332396.db2.gz LNSGXMUBWAWJGS-LLVKDONJSA-N 2 0 240.351 0.161 20 0 BCADRP CC(C)COC[C@H](O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000923295363 644332647 /nfs/dbraw/zinc/33/26/47/644332647.db2.gz YWWBMPALEMOPCD-GFCCVEGCSA-N 2 0 246.395 0.937 20 0 BCADRP CCOC[C@@H](O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000923295727 644333228 /nfs/dbraw/zinc/33/32/28/644333228.db2.gz FSZJIUBEKFTBFZ-QWRGUYRKSA-N 2 0 218.341 0.347 20 0 BCADRP C[C@](C[NH3+])([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923295967 644333474 /nfs/dbraw/zinc/33/34/74/644333474.db2.gz LQSJXTVJQNJFRQ-NWDGAFQWSA-N 3 0 239.363 0.082 20 0 BCADRP CCOCC[C@H](O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000923295718 644333608 /nfs/dbraw/zinc/33/36/08/644333608.db2.gz FPPWMLLGSNQLHG-RYUDHWBXSA-N 2 0 230.352 0.491 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923296571 644336126 /nfs/dbraw/zinc/33/61/26/644336126.db2.gz IBSYAXRNOABWSI-BJDJZHNGSA-N 3 0 229.368 0.142 20 0 BCADRP CSC[C@H](O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000923298398 644337215 /nfs/dbraw/zinc/33/72/15/644337215.db2.gz BLZMNVNEQKRSTC-NXEZZACHSA-N 2 0 220.382 0.673 20 0 BCADRP CSC[C@H](O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000923298401 644338071 /nfs/dbraw/zinc/33/80/71/644338071.db2.gz BLZMNVNEQKRSTC-ZJUUUORDSA-N 2 0 220.382 0.673 20 0 BCADRP CC[C@H]1COCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923307626 644338317 /nfs/dbraw/zinc/33/83/17/644338317.db2.gz YRALWCZMKQMNME-RYUDHWBXSA-N 2 0 240.347 0.476 20 0 BCADRP C[C@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923312374 644340034 /nfs/dbraw/zinc/34/00/34/644340034.db2.gz HNTRFGVFTRKGMI-WDEREUQCSA-N 2 0 210.321 0.849 20 0 BCADRP COC(C)(C)C[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923318110 644343831 /nfs/dbraw/zinc/34/38/31/644343831.db2.gz ICCUPZCCFDTGCP-NSHDSACASA-N 2 0 242.363 0.722 20 0 BCADRP CO[C@@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923315890 644344568 /nfs/dbraw/zinc/34/45/68/644344568.db2.gz MDVLRFHYULSDKN-GHMZBOCLSA-N 2 0 226.320 0.086 20 0 BCADRP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCC1 ZINC000923316300 644345087 /nfs/dbraw/zinc/34/50/87/644345087.db2.gz NSTDFXACNUDWIK-NSHDSACASA-N 2 0 210.321 0.849 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCCO1 ZINC000923311893 644346214 /nfs/dbraw/zinc/34/62/14/644346214.db2.gz AMWRUVRGMYGSMS-VXGBXAGGSA-N 2 0 240.347 0.476 20 0 BCADRP CC(C)C[NH+]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923320445 644348961 /nfs/dbraw/zinc/34/89/61/644348961.db2.gz YQBFVFCHMSZFCN-AVGNSLFASA-N 2 0 241.379 0.111 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923331433 644349687 /nfs/dbraw/zinc/34/96/87/644349687.db2.gz KTSCMSVVXQBMFF-ZDUSSCGKSA-N 2 0 242.363 0.725 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000923330424 644350174 /nfs/dbraw/zinc/35/01/74/644350174.db2.gz FDGUIVMZLUIRRA-RYUDHWBXSA-N 2 0 230.352 0.709 20 0 BCADRP [NH3+][C@@H]1CC[C@H]2CN(CCC[NH2+]C3CC3)C[C@H]12 ZINC000923330523 644350202 /nfs/dbraw/zinc/35/02/02/644350202.db2.gz AFZSRVACIOFGFJ-WCFLWFBJSA-N 2 0 223.364 0.798 20 0 BCADRP CSC[C@H](O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000923333998 644353733 /nfs/dbraw/zinc/35/37/33/644353733.db2.gz FBOYKKGLOSSLFQ-WDEREUQCSA-N 2 0 232.393 0.784 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000923332773 644353951 /nfs/dbraw/zinc/35/39/51/644353951.db2.gz NHRQUHHHSQAJLR-RVMXOQNASA-N 2 0 242.363 0.443 20 0 BCADRP CSC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000923333737 644354755 /nfs/dbraw/zinc/35/47/55/644354755.db2.gz RYBKWALXXIDWSI-USZNOCQGSA-N 2 0 244.404 0.770 20 0 BCADRP CC[N@H+](C[C@@H](O)COC)[C@@H]1CCC[NH2+]CC1 ZINC000923336550 644357096 /nfs/dbraw/zinc/35/70/96/644357096.db2.gz UPAGZVHYKBUJSU-VXGBXAGGSA-N 2 0 230.352 0.458 20 0 BCADRP CSC[C@H](O)C[NH2+]CC1([NH3+])CCC1 ZINC000923331885 644359548 /nfs/dbraw/zinc/35/95/48/644359548.db2.gz IOZGQFDMAUGXRG-MRVPVSSYSA-N 2 0 204.339 0.181 20 0 BCADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923332026 644361152 /nfs/dbraw/zinc/36/11/52/644361152.db2.gz OFGQGSZGSCZBCX-UPJWGTAASA-N 2 0 244.379 0.832 20 0 BCADRP C(C[NH2+]C1CC1)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923358248 644366238 /nfs/dbraw/zinc/36/62/38/644366238.db2.gz GHMVAVVWQRYRGH-YPMHNXCESA-N 2 0 223.364 0.812 20 0 BCADRP [NH3+]CC(C[NH3+])NCCCc1c(F)cccc1F ZINC000923358402 644367007 /nfs/dbraw/zinc/36/70/07/644367007.db2.gz ANUWKNBDBIMKHI-UHFFFAOYSA-N 2 0 243.301 0.773 20 0 BCADRP CC(C)Oc1ccc(CNC(C[NH3+])C[NH3+])cc1 ZINC000923351318 644367212 /nfs/dbraw/zinc/36/72/12/644367212.db2.gz HWEGUYZRXCVPGS-UHFFFAOYSA-N 2 0 237.347 0.849 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1ccsc1Cl ZINC000923358789 644367767 /nfs/dbraw/zinc/36/77/67/644367767.db2.gz ILHVEKAFMWJVFI-UHFFFAOYSA-N 2 0 219.741 0.777 20 0 BCADRP [NH3+]CC(C[NH3+])N[C@@H]1CCc2ccc(F)cc21 ZINC000923351348 644368110 /nfs/dbraw/zinc/36/81/10/644368110.db2.gz JHBYIBZWHXBGFI-GFCCVEGCSA-N 2 0 223.295 0.689 20 0 BCADRP COC[C@@H](O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000923357529 644368249 /nfs/dbraw/zinc/36/82/49/644368249.db2.gz PCSUUJWNUWHVTM-STQMWFEESA-N 2 0 242.363 0.315 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1CCC[NH2+]C1CC1 ZINC000923350640 644368271 /nfs/dbraw/zinc/36/82/71/644368271.db2.gz GSMDHQJPMHTLNV-JQWIXIFHSA-N 2 0 229.343 0.760 20 0 BCADRP CC1(C)CC[C@@H](CNC(C[NH3+])C[NH3+])OC1 ZINC000923359063 644369052 /nfs/dbraw/zinc/36/90/52/644369052.db2.gz KSNZLDHESSZTIH-JTQLQIEISA-N 2 0 215.341 0.067 20 0 BCADRP COC[C@@H](O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000923352851 644369761 /nfs/dbraw/zinc/36/97/61/644369761.db2.gz GILPQKVFDWSAJY-ZDUSSCGKSA-N 2 0 244.379 0.835 20 0 BCADRP CCCCc1nc(CNC(C[NH3+])C[NH3+])cs1 ZINC000923353845 644370191 /nfs/dbraw/zinc/37/01/91/644370191.db2.gz CJEFQJIRVDWFAK-UHFFFAOYSA-N 2 0 242.392 0.861 20 0 BCADRP C[C@@H](NC(C[NH3+])C[NH3+])c1cc(F)ccc1F ZINC000923352303 644370294 /nfs/dbraw/zinc/37/02/94/644370294.db2.gz UGLQWUSZLZOGHX-SSDOTTSWSA-N 2 0 229.274 0.901 20 0 BCADRP CN(C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H](C[NH3+])C1CC1 ZINC000923356275 644372733 /nfs/dbraw/zinc/37/27/33/644372733.db2.gz GPUXJJQUNMXSDF-RYUDHWBXSA-N 2 0 239.363 0.034 20 0 BCADRP CSC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000923368982 644380744 /nfs/dbraw/zinc/38/07/44/644380744.db2.gz IHCMBTPMADSJIH-VHSXEESVSA-N 2 0 232.393 0.688 20 0 BCADRP [NH3+]CC(C[NH3+])NC[C@@H]1CCC2(CCC2)CO1 ZINC000923356335 644372891 /nfs/dbraw/zinc/37/28/91/644372891.db2.gz KZDCTFKQOVLTSL-NSHDSACASA-N 2 0 227.352 0.211 20 0 BCADRP C[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923363733 644374505 /nfs/dbraw/zinc/37/45/05/644374505.db2.gz DRUPOWOEFBIWQD-SRVKXCTJSA-N 2 0 212.337 0.831 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923364222 644375534 /nfs/dbraw/zinc/37/55/34/644375534.db2.gz JXKLQNKVLCLTFP-JHJVBQTASA-N 2 0 242.363 0.458 20 0 BCADRP C[C@@H](O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000923356767 644375633 /nfs/dbraw/zinc/37/56/33/644375633.db2.gz KRFWSMXOOWQZTF-PWSUYJOCSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@@H](O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000923363670 644376136 /nfs/dbraw/zinc/37/61/36/644376136.db2.gz XOPFMEARTBWRBQ-JLLWLGSASA-N 2 0 228.336 0.195 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1nsc2ccccc12 ZINC000923356845 644376695 /nfs/dbraw/zinc/37/66/95/644376695.db2.gz PUDUGLIZPDODID-UHFFFAOYSA-N 2 0 236.344 0.672 20 0 BCADRP CC[C@H](O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923366746 644377687 /nfs/dbraw/zinc/37/76/87/644377687.db2.gz QBWQIZHWVTZSMV-NWDGAFQWSA-N 2 0 212.337 0.833 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923366275 644377863 /nfs/dbraw/zinc/37/78/63/644377863.db2.gz JGKUUKKFLZTMAK-OLZOCXBDSA-N 2 0 242.363 0.459 20 0 BCADRP CC(C)OC[C@H](O)CN[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000923370713 644381938 /nfs/dbraw/zinc/38/19/38/644381938.db2.gz QJVYUNSTWNMHNA-YVECIDJPSA-N 2 0 244.379 0.748 20 0 BCADRP COc1cccc(CNC(C[NH3+])C[NH3+])c1Cl ZINC000923359925 644384994 /nfs/dbraw/zinc/38/49/94/644384994.db2.gz XTHNNXIXDYLNCB-UHFFFAOYSA-N 2 0 243.738 0.724 20 0 BCADRP C[C@H](O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000923375005 644389163 /nfs/dbraw/zinc/38/91/63/644389163.db2.gz FXDNKLFOLZDTQK-DRZSPHRISA-N 2 0 242.363 0.586 20 0 BCADRP C[C@@H]1OCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H]1C ZINC000923373786 644389807 /nfs/dbraw/zinc/38/98/07/644389807.db2.gz RNJHVUPZGGXVFZ-SRVKXCTJSA-N 2 0 240.347 0.474 20 0 BCADRP CNC(=O)[C@@H]([NH2+]CCC[NH2+]C1CC1)C(C)C ZINC000923376687 644391581 /nfs/dbraw/zinc/39/15/81/644391581.db2.gz DPXMOQCVELIVKT-NSHDSACASA-N 2 0 227.352 0.489 20 0 BCADRP CC(C)OC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923381207 644394460 /nfs/dbraw/zinc/39/44/60/644394460.db2.gz GEKQEAZVPGEBIH-IJLUTSLNSA-N 2 0 230.352 0.632 20 0 BCADRP C[C@@]12COC[C@]1(C)C[N@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923391018 644396662 /nfs/dbraw/zinc/39/66/62/644396662.db2.gz MIDUCRBIRMJATP-PJSNJIKXSA-N 2 0 240.347 0.195 20 0 BCADRP C(C[NH2+]C1CC1)CN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000923384784 644397100 /nfs/dbraw/zinc/39/71/00/644397100.db2.gz NBAGBPZDBAYFTA-QWHCGFSZSA-N 2 0 239.363 0.191 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923383721 644397358 /nfs/dbraw/zinc/39/73/58/644397358.db2.gz LZIVAVXSUYQIAY-GMTAPVOTSA-N 2 0 216.325 0.243 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000923386931 644399705 /nfs/dbraw/zinc/39/97/05/644399705.db2.gz LGERXDQVGLSZSK-WOPDTQHZSA-N 2 0 230.352 0.443 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](CCF)C2)C1 ZINC000923387782 644400444 /nfs/dbraw/zinc/40/04/44/644400444.db2.gz FPBUGLHESLACMC-BJDJZHNGSA-N 2 0 230.327 0.909 20 0 BCADRP C[N@H+](C[C@H]1CC1(C)C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923396263 644400904 /nfs/dbraw/zinc/40/09/04/644400904.db2.gz CCBCHKYFSHRSBV-RCWTZXSCSA-N 2 0 212.337 0.815 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1CCC[NH2+]C1CC1 ZINC000923393457 644402101 /nfs/dbraw/zinc/40/21/01/644402101.db2.gz QWLUHSJGCOTODA-GHMZBOCLSA-N 2 0 211.353 0.940 20 0 BCADRP [NH3+][C@@H]1CN(CCC[NH2+]C2CC2)CC[C@H]1F ZINC000923396296 644403055 /nfs/dbraw/zinc/40/30/55/644403055.db2.gz XPKVMYZLSHTKLK-GHMZBOCLSA-N 2 0 215.316 0.500 20 0 BCADRP C[N@H+](CCC[NH2+]C1CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000923401273 644406528 /nfs/dbraw/zinc/40/65/28/644406528.db2.gz TZLNLFWFZDYTAS-JGZJWPJOSA-N 2 0 225.336 0.324 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000923392658 644409287 /nfs/dbraw/zinc/40/92/87/644409287.db2.gz KQEJUPRYHFFPDT-SRVKXCTJSA-N 2 0 230.352 0.586 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000923392862 644409364 /nfs/dbraw/zinc/40/93/64/644409364.db2.gz LLEZJMHFQWUGMC-VXGBXAGGSA-N 2 0 230.352 0.851 20 0 BCADRP C[C@H]([NH3+])CN(C)C[C@H](O)COc1ccccc1 ZINC000923409684 644410206 /nfs/dbraw/zinc/41/02/06/644410206.db2.gz QXIAXNILAXXXMG-RYUDHWBXSA-N 2 0 238.331 0.705 20 0 BCADRP [NH3+][C@@H]1CC[C@H](CN2CCC[C@H]([NH2+]CCO)C2)C1 ZINC000923408275 644411564 /nfs/dbraw/zinc/41/15/64/644411564.db2.gz FMZPBFWMBXCGBH-XQQFMLRXSA-N 2 0 241.379 0.160 20 0 BCADRP CSC[C@@H](O)CN1CCCCC[C@@H]([NH3+])C1 ZINC000923410403 644412746 /nfs/dbraw/zinc/41/27/46/644412746.db2.gz GTWPJBFWAHDXBD-MNOVXSKESA-N 2 0 232.393 0.914 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923412758 644414810 /nfs/dbraw/zinc/41/48/10/644414810.db2.gz ASQXMSGHKKAESW-AAEUAGOBSA-N 2 0 244.379 0.691 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923414221 644415913 /nfs/dbraw/zinc/41/59/13/644415913.db2.gz KKNDQUIPQOCZGS-UTUOFQBUSA-N 2 0 244.404 0.784 20 0 BCADRP CCOCCOCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000923414055 644416245 /nfs/dbraw/zinc/41/62/45/644416245.db2.gz ZIMVQCVORQBXIH-NWDGAFQWSA-N 2 0 230.352 0.566 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H]3CSC[C@@H]3C2)C1 ZINC000923413355 644416377 /nfs/dbraw/zinc/41/63/77/644416377.db2.gz FLZUREKSSDQJJN-DGORSVRFSA-N 2 0 242.388 0.522 20 0 BCADRP CCOCCOCC[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000923414056 644416542 /nfs/dbraw/zinc/41/65/42/644416542.db2.gz ZIMVQCVORQBXIH-RYUDHWBXSA-N 2 0 230.352 0.566 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923413906 644417708 /nfs/dbraw/zinc/41/77/08/644417708.db2.gz JWJJLOUAQSJYCH-GRYCIOLGSA-N 2 0 228.336 0.068 20 0 BCADRP FC1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923425461 644419413 /nfs/dbraw/zinc/41/94/13/644419413.db2.gz ZJEQWAYCUVEQBW-LLVKDONJSA-N 2 0 228.311 0.799 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)C1 ZINC000923426080 644419479 /nfs/dbraw/zinc/41/94/79/644419479.db2.gz CDHRQXUALQBEFV-QNWJLWSRSA-N 2 0 240.347 0.338 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000923422438 644420601 /nfs/dbraw/zinc/42/06/01/644420601.db2.gz RXEGVNAQDJEDOB-GMTAPVOTSA-N 2 0 228.336 0.507 20 0 BCADRP C[C@@H](O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923426887 644421713 /nfs/dbraw/zinc/42/17/13/644421713.db2.gz HRCNTADNTCHGON-VXGBXAGGSA-N 2 0 212.337 0.833 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923429603 644421875 /nfs/dbraw/zinc/42/18/75/644421875.db2.gz YXAIZCDDSKUHKD-MXWKQRLJSA-N 2 0 232.393 0.627 20 0 BCADRP CO[C@H]1COCC[C@H]1[N@H+](C)CCC[NH2+]C1CC1 ZINC000923426959 644422248 /nfs/dbraw/zinc/42/22/48/644422248.db2.gz PUHSMRPCMSBBNQ-OLZOCXBDSA-N 2 0 242.363 0.864 20 0 BCADRP CCOCC[C@@H](O)CN1CCCC[C@H]1C[NH2+]C ZINC000923430413 644422832 /nfs/dbraw/zinc/42/28/32/644422832.db2.gz KQLRSMDLLCTBKH-QWHCGFSZSA-N 2 0 244.379 0.848 20 0 BCADRP CC[N@H+](CCC[NH2+]C1CC1)CCC(N)=O ZINC000923433166 644426312 /nfs/dbraw/zinc/42/63/12/644426312.db2.gz OUABAQSXLFFQTQ-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP COCCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923447656 644431287 /nfs/dbraw/zinc/43/12/87/644431287.db2.gz VPGQLAFTMKAPJT-GFCCVEGCSA-N 2 0 242.363 0.853 20 0 BCADRP C[C@H](c1ccccn1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923459691 644439299 /nfs/dbraw/zinc/43/92/99/644439299.db2.gz LPHPEGSWDIHGRZ-GFCCVEGCSA-N 2 0 234.347 0.637 20 0 BCADRP CCOCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452762 644441486 /nfs/dbraw/zinc/44/14/86/644441486.db2.gz HPVMRSLSZYGXKU-GFCCVEGCSA-N 2 0 242.363 0.853 20 0 BCADRP Fc1ccccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923466740 644444514 /nfs/dbraw/zinc/44/45/14/644444514.db2.gz WLTFUPCBKUPYCM-UHFFFAOYSA-N 2 0 237.322 0.821 20 0 BCADRP C[C@H](c1cccnc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923462041 644446610 /nfs/dbraw/zinc/44/66/10/644446610.db2.gz BNRPHDSHHOHYLJ-GFCCVEGCSA-N 2 0 234.347 0.637 20 0 BCADRP c1cncc(CCN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923464105 644449876 /nfs/dbraw/zinc/44/98/76/644449876.db2.gz ZMJIZRGJKSIELN-UHFFFAOYSA-N 2 0 234.347 0.119 20 0 BCADRP CC[NH+](CC)CCCN1CCC[C@@]([NH3+])(CO)C1 ZINC000923473067 644455749 /nfs/dbraw/zinc/45/57/49/644455749.db2.gz PALBYYWUROIYJV-ZDUSSCGKSA-N 2 0 243.395 0.504 20 0 BCADRP C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923481955 644458330 /nfs/dbraw/zinc/45/83/30/644458330.db2.gz VPIWIZGAHIGXDP-STQMWFEESA-N 2 0 241.379 0.378 20 0 BCADRP CCCCNC(=O)CC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923482727 644458389 /nfs/dbraw/zinc/45/83/89/644458389.db2.gz SKCVWOOGAUBBNN-LBPRGKRZSA-N 2 0 241.379 0.964 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000923482299 644459016 /nfs/dbraw/zinc/45/90/16/644459016.db2.gz YGOAALOVHXCGLD-VXGBXAGGSA-N 3 0 211.353 0.657 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000923481332 644459215 /nfs/dbraw/zinc/45/92/15/644459215.db2.gz PQLYADYITFHYMS-NSHDSACASA-N 2 0 234.347 1.000 20 0 BCADRP Cc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)ncn1 ZINC000923480854 644459629 /nfs/dbraw/zinc/45/96/29/644459629.db2.gz KRCVEYIZNQIBME-NSHDSACASA-N 2 0 220.320 0.956 20 0 BCADRP CCCCNC(=O)CC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923482726 644460061 /nfs/dbraw/zinc/46/00/61/644460061.db2.gz SKCVWOOGAUBBNN-GFCCVEGCSA-N 2 0 241.379 0.964 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](CCOC(F)F)C1 ZINC000923480421 644460372 /nfs/dbraw/zinc/46/03/72/644460372.db2.gz YFOLHJJLZARRCV-QMMMGPOBSA-N 2 0 208.252 0.896 20 0 BCADRP CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495953 644461621 /nfs/dbraw/zinc/46/16/21/644461621.db2.gz FJNZCJFLGIMDDU-VWYCJHECSA-N 2 0 228.336 0.855 20 0 BCADRP CCOC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495952 644462430 /nfs/dbraw/zinc/46/24/30/644462430.db2.gz FJNZCJFLGIMDDU-OUAUKWLOSA-N 2 0 228.336 0.855 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923484501 644462484 /nfs/dbraw/zinc/46/24/84/644462484.db2.gz KNCOCGDWXBCYLP-NSHDSACASA-N 2 0 228.336 0.999 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495459 644462720 /nfs/dbraw/zinc/46/27/20/644462720.db2.gz WCPBJSOSVLKUSP-NEPJUHHUSA-N 2 0 241.379 0.772 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000923495492 644463712 /nfs/dbraw/zinc/46/37/12/644463712.db2.gz WHWDZLCVXLGYNU-FRRDWIJNSA-N 3 0 225.380 0.903 20 0 BCADRP C[C@@H]1C[N@H+](CCc2cn[nH]c2)CC[C@H]1C[NH3+] ZINC000923488921 644465052 /nfs/dbraw/zinc/46/50/52/644465052.db2.gz IDZXROSCIRGCQB-PWSUYJOCSA-N 2 0 222.336 0.869 20 0 BCADRP CCN1CC[C@H]([N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)C1=O ZINC000923491072 644465283 /nfs/dbraw/zinc/46/52/83/644465283.db2.gz QNZOGLWPGMNNKG-TUAOUCFPSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CC[C@H]1C[NH3+] ZINC000923489375 644465804 /nfs/dbraw/zinc/46/58/04/644465804.db2.gz JGFOHLYGSMGLJT-RHYQMDGZSA-N 2 0 229.343 0.603 20 0 BCADRP CON1CC[C@H]([N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923492252 644467908 /nfs/dbraw/zinc/46/79/08/644467908.db2.gz MLLGRVKQUJLQNW-VWYCJHECSA-N 2 0 241.335 0.065 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923497077 644470156 /nfs/dbraw/zinc/47/01/56/644470156.db2.gz KTOQZLOPUIPRMQ-QWRGUYRKSA-N 2 0 228.336 0.856 20 0 BCADRP C[C@H]1CN(C[C@H]2CCC[NH2+]2)CC[C@H]1C[NH3+] ZINC000923494088 644470567 /nfs/dbraw/zinc/47/05/67/644470567.db2.gz VQJHIIGQAYUIEF-SDDRHHMPSA-N 2 0 211.353 0.655 20 0 BCADRP CCOC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497085 644470634 /nfs/dbraw/zinc/47/06/34/644470634.db2.gz KTRJQPKCMWMCKF-ZJUUUORDSA-N 2 0 214.309 0.466 20 0 BCADRP C[C@@H]1C[N@@H+]([C@H]2CCOC2=O)CC[C@H]1C[NH3+] ZINC000923497230 644471243 /nfs/dbraw/zinc/47/12/43/644471243.db2.gz DEBHNZPTIQXOHQ-UTLUCORTSA-N 2 0 212.293 0.219 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500006 644472449 /nfs/dbraw/zinc/47/24/49/644472449.db2.gz UBJADSFRMRKUGZ-WDEREUQCSA-N 2 0 228.336 0.856 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500005 644473007 /nfs/dbraw/zinc/47/30/07/644473007.db2.gz UBJADSFRMRKUGZ-QWRGUYRKSA-N 2 0 228.336 0.856 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500004 644473762 /nfs/dbraw/zinc/47/37/62/644473762.db2.gz UBJADSFRMRKUGZ-MNOVXSKESA-N 2 0 228.336 0.856 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923499334 644474079 /nfs/dbraw/zinc/47/40/79/644474079.db2.gz JYGKJQUWGDMLPD-IWSPIJDZSA-N 2 0 240.269 0.826 20 0 BCADRP C([C@H]1CCC[NH2+]C1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515817 644479586 /nfs/dbraw/zinc/47/95/86/644479586.db2.gz NIOHVPMMCYKWEC-RWMBFGLXSA-N 3 0 223.364 0.527 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518872 644482796 /nfs/dbraw/zinc/48/27/96/644482796.db2.gz FMKDYOBSTFFRBZ-NWDGAFQWSA-N 2 0 240.347 0.869 20 0 BCADRP NC(=O)C12CCC(CC1)[N@@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000923529337 644485057 /nfs/dbraw/zinc/48/50/57/644485057.db2.gz DFMBQKGUAGGNCV-ZBOXLXRLSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+]CC[C@@H]1CN(CC[NH3+])c2ccccc21 ZINC000923553812 644495244 /nfs/dbraw/zinc/49/52/44/644495244.db2.gz CHYWXFSIYUYRNO-SNVBAGLBSA-N 2 0 205.305 0.898 20 0 BCADRP COC[C@H]1COCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000923558335 644498026 /nfs/dbraw/zinc/49/80/26/644498026.db2.gz QWRBEGCPAYJRBX-STQMWFEESA-N 2 0 242.363 0.723 20 0 BCADRP CC(C)C[C@@H]1CN(C)CC[N@@H+]1CCOCC[NH3+] ZINC000923556344 644501805 /nfs/dbraw/zinc/50/18/05/644501805.db2.gz WFYLPOOBMUQHFP-CYBMUJFWSA-N 2 0 243.395 0.624 20 0 BCADRP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H](C)[NH+](C)C ZINC000750615746 644596563 /nfs/dbraw/zinc/59/65/63/644596563.db2.gz SXQGPEXWCOTNMX-QWRGUYRKSA-N 2 0 229.368 0.639 20 0 BCADRP COC[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250418879 644758577 /nfs/dbraw/zinc/75/85/77/644758577.db2.gz OZKVBWGDKLLANZ-MBYGNEARSA-N 2 0 228.336 0.209 20 0 BCADRP CN1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250561692 644764332 /nfs/dbraw/zinc/76/43/32/644764332.db2.gz COJMUPZLSYQHLP-SRVKXCTJSA-N 2 0 211.353 0.798 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000250572830 644765518 /nfs/dbraw/zinc/76/55/18/644765518.db2.gz WQHJFOOVSQJNNV-GMTAPVOTSA-N 2 0 216.325 0.053 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251020283 644789854 /nfs/dbraw/zinc/78/98/54/644789854.db2.gz CRUZKQQMAWLECE-UWVGGRQHSA-N 2 0 225.336 0.467 20 0 BCADRP CC[C@@H]1C(=O)NCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251790765 644821804 /nfs/dbraw/zinc/82/18/04/644821804.db2.gz XKOXPDMWRJYQNW-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000304601944 644920524 /nfs/dbraw/zinc/92/05/24/644920524.db2.gz VKXYZYFXQPZLRK-VXGBXAGGSA-N 2 0 228.336 0.069 20 0 BCADRP C[C@H](CNC1=[NH+]C[C@H](C)N1)[NH+]1CCCCC1 ZINC000304622386 644922289 /nfs/dbraw/zinc/92/22/89/644922289.db2.gz XSQPGINKNFNGEP-WDEREUQCSA-N 2 0 224.352 0.798 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000834857633 645150191 /nfs/dbraw/zinc/15/01/91/645150191.db2.gz KKJPPXOMZOSJMP-JOYOIKCWSA-N 2 0 243.326 0.192 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000841855822 645231082 /nfs/dbraw/zinc/23/10/82/645231082.db2.gz ILOZPRWKAFBYJL-QMMMGPOBSA-N 2 0 201.314 0.086 20 0 BCADRP CC[C@@](C)(CC(=O)OC)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000843390101 645287764 /nfs/dbraw/zinc/28/77/64/645287764.db2.gz KOGBPFMDMVJTDC-JQWIXIFHSA-N 2 0 228.336 0.917 20 0 BCADRP CC[C@](C)(CC(=O)OC)[NH2+]CCC[NH2+]C ZINC000843389974 645288235 /nfs/dbraw/zinc/28/82/35/645288235.db2.gz FPSCNUQJOBXKAP-LLVKDONJSA-N 2 0 216.325 0.917 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000843509519 645293259 /nfs/dbraw/zinc/29/32/59/645293259.db2.gz ZBOFSJLIJSITEL-QXFUBDJGSA-N 2 0 213.325 0.356 20 0 BCADRP CC[NH2+]CC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000843508236 645293746 /nfs/dbraw/zinc/29/37/46/645293746.db2.gz RKFMQHSTVPNOGY-CYBMUJFWSA-N 2 0 247.342 0.681 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000843509518 645294185 /nfs/dbraw/zinc/29/41/85/645294185.db2.gz ZBOFSJLIJSITEL-OYNCUSHFSA-N 2 0 213.325 0.356 20 0 BCADRP CC[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000844187055 645316343 /nfs/dbraw/zinc/31/63/43/645316343.db2.gz CAMXFFRVCRKDKR-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000844187377 645316368 /nfs/dbraw/zinc/31/63/68/645316368.db2.gz HAWOHZLHHLRWSV-JTQLQIEISA-N 2 0 229.368 0.688 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000844188990 645316736 /nfs/dbraw/zinc/31/67/36/645316736.db2.gz DOAFATKFGGXHIO-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000844188938 645317283 /nfs/dbraw/zinc/31/72/83/645317283.db2.gz CJMVXGGTWAESTD-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCOC1 ZINC000926619675 645321505 /nfs/dbraw/zinc/32/15/05/645321505.db2.gz KPRQQTOMLGUWLJ-FBTJUVTCSA-N 2 0 210.321 0.705 20 0 BCADRP C[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925488695 645521110 /nfs/dbraw/zinc/52/11/10/645521110.db2.gz VFKPCRZOIHPIDY-RYUDHWBXSA-N 2 0 223.364 0.955 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)[NH+](C)C ZINC000928429760 645735837 /nfs/dbraw/zinc/73/58/37/645735837.db2.gz RVTLXEODLYPVEC-LPEHRKFASA-N 2 0 213.325 0.145 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC000928427393 645743880 /nfs/dbraw/zinc/74/38/80/645743880.db2.gz JYPJTXNQMRDZSE-MNOVXSKESA-N 2 0 237.347 0.291 20 0 BCADRP C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC000928429405 645748655 /nfs/dbraw/zinc/74/86/55/645748655.db2.gz BXSMWUYHUAEVFG-WDEREUQCSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC[N@@H+]1C ZINC000928430494 645749840 /nfs/dbraw/zinc/74/98/40/645749840.db2.gz XTVHPTWWEXUBIV-DBIOUOCHSA-N 2 0 248.330 0.722 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876796550 645786857 /nfs/dbraw/zinc/78/68/57/645786857.db2.gz GEXRNXRYDWKHHW-KZVJFYERSA-N 2 0 247.289 0.035 20 0 BCADRP CC[C@H](C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[NH+](C)C ZINC000877371829 645792951 /nfs/dbraw/zinc/79/29/51/645792951.db2.gz PALLUVYRYOIXEN-DMDPSCGWSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]([NH3+])CC(F)F)C2 ZINC000877374633 645793865 /nfs/dbraw/zinc/79/38/65/645793865.db2.gz MDLNKPZWIPPQTG-DKCNOQQISA-N 2 0 247.289 0.037 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@H](C)C[NH3+] ZINC000884251923 645871526 /nfs/dbraw/zinc/87/15/26/645871526.db2.gz WRTLUNSAVCSUSC-RKDXNWHRSA-N 2 0 215.341 0.459 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)CC[C@@H]1[NH3+] ZINC000884270016 645872257 /nfs/dbraw/zinc/87/22/57/645872257.db2.gz DVSBOQARJZHLES-GRYCIOLGSA-N 2 0 239.363 0.700 20 0 BCADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)CO)CC1 ZINC000929276024 646056758 /nfs/dbraw/zinc/05/67/58/646056758.db2.gz NVEJZKDTXDWHGN-CYBMUJFWSA-N 2 0 244.379 0.393 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000929313336 646074030 /nfs/dbraw/zinc/07/40/30/646074030.db2.gz VLYCMXMWRVIFLJ-IRCOFANPSA-N 2 0 238.331 0.337 20 0 BCADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)(C)CO ZINC000924758013 646103020 /nfs/dbraw/zinc/10/30/20/646103020.db2.gz RZAPAHMYHQWARJ-VXGBXAGGSA-N 2 0 244.379 0.440 20 0 BCADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1COC[C@H]1C ZINC000925240375 646219031 /nfs/dbraw/zinc/21/90/31/646219031.db2.gz JKWPWCXWIJNPKZ-JHJVBQTASA-N 2 0 244.379 0.968 20 0 BCADRP C[C@H](CCNC(=O)NC[C@@H]1CC[N@@H+]1C)[NH+](C)C ZINC000925436025 646282911 /nfs/dbraw/zinc/28/29/11/646282911.db2.gz VVMIAJTZSQMZQF-MNOVXSKESA-N 2 0 242.367 0.330 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2COCCO2)C1 ZINC000925485275 646297632 /nfs/dbraw/zinc/29/76/32/646297632.db2.gz MQVVUWZQESYPSO-UTUOFQBUSA-N 2 0 242.363 0.897 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C[C@H](O)[C@@H](C)O)C[C@H]1C ZINC000929779703 646307810 /nfs/dbraw/zinc/30/78/10/646307810.db2.gz HRXHZOXAYYDCMA-NDBYEHHHSA-N 2 0 244.379 0.533 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC000925512120 646310684 /nfs/dbraw/zinc/31/06/84/646310684.db2.gz ZRQQQASWJLPVOF-NXEZZACHSA-N 2 0 248.392 0.527 20 0 BCADRP C[NH+]1CCC(N[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925511726 646310876 /nfs/dbraw/zinc/31/08/76/646310876.db2.gz SJMTXILOAXOPPL-LLVKDONJSA-N 2 0 211.353 0.811 20 0 BCADRP C[C@@H](C[NH+]1CCCCC1)N[C@H]1C[NH2+]CCOC1 ZINC000925535985 646321245 /nfs/dbraw/zinc/32/12/45/646321245.db2.gz BGMIHEUUWYRKNM-STQMWFEESA-N 2 0 241.379 0.439 20 0 BCADRP [NH3+][C@@H]1C[C@H]([NH2+]CCNc2cnccn2)C12CCC2 ZINC000925557943 646334174 /nfs/dbraw/zinc/33/41/74/646334174.db2.gz QTHGWTBBEUWROL-MNOVXSKESA-N 2 0 247.346 0.748 20 0 BCADRP C1C[C@@H]2C[C@@H](N[C@H]3C[NH2+]CCOC3)CC[N@@H+]2C1 ZINC000925562852 646335118 /nfs/dbraw/zinc/33/51/18/646335118.db2.gz QWPOKLKRWPCWCI-RWMBFGLXSA-N 2 0 239.363 0.191 20 0 BCADRP C1C[C@@H]2C[C@H](N[C@H]3C[NH2+]CCOC3)CC[N@@H+]2C1 ZINC000925562849 646336515 /nfs/dbraw/zinc/33/65/15/646336515.db2.gz QWPOKLKRWPCWCI-FRRDWIJNSA-N 2 0 239.363 0.191 20 0 BCADRP C[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925564142 646337742 /nfs/dbraw/zinc/33/77/42/646337742.db2.gz HKCBGDJCVFSZLG-NWDGAFQWSA-N 2 0 223.364 0.955 20 0 BCADRP COCC[N@H+](C)CCN[C@H]1CC[NH2+]C1(C)C ZINC000925578386 646344299 /nfs/dbraw/zinc/34/42/99/646344299.db2.gz VUNAKTVLCPGQOB-NSHDSACASA-N 2 0 229.368 0.295 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCN[C@@H]1C[NH2+]CCOC1 ZINC000925577619 646344430 /nfs/dbraw/zinc/34/44/30/646344430.db2.gz PCIJZQWENFLLFR-VXGBXAGGSA-N 2 0 229.368 0.295 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000925611159 646360699 /nfs/dbraw/zinc/36/06/99/646360699.db2.gz AWXCLTWLZDGYQJ-NEPJUHHUSA-N 2 0 241.379 0.173 20 0 BCADRP CC1(C)[C@@H]([NH2+]CCOCCO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925612716 646362886 /nfs/dbraw/zinc/36/28/86/646362886.db2.gz UCLWCKDNIDKLDC-WOPDTQHZSA-N 2 0 242.363 0.362 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCc3ncnn3C2)C12CCC2 ZINC000925621751 646367601 /nfs/dbraw/zinc/36/76/01/646367601.db2.gz NKCDODAAYVBDOQ-HBNTYKKESA-N 2 0 247.346 0.452 20 0 BCADRP CCN(C)C(=O)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925647606 646386677 /nfs/dbraw/zinc/38/66/77/646386677.db2.gz ZAPBPUYBBBTPPP-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(=O)N(C)C ZINC000925656585 646394832 /nfs/dbraw/zinc/39/48/32/646394832.db2.gz FLFAZGFDYZMEGD-HBNTYKKESA-N 2 0 241.379 0.959 20 0 BCADRP CCCC[N@H+](C)C[C@@H](C)N[C@@H]1C[NH2+]CCOC1 ZINC000925668420 646398750 /nfs/dbraw/zinc/39/87/50/646398750.db2.gz HDFUNAUXMWYPNP-CHWSQXEVSA-N 2 0 243.395 0.685 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925672748 646403082 /nfs/dbraw/zinc/40/30/82/646403082.db2.gz XJYUHJBBZSEGFL-OLZOCXBDSA-N 2 0 241.379 0.439 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925685986 646412270 /nfs/dbraw/zinc/41/22/70/646412270.db2.gz OZULCCKSVCDDAE-LNFKQOIKSA-N 2 0 226.320 0.260 20 0 BCADRP C1[NH2+][C@H]2[C@H](NC3CC[NH2+]CC3)[C@H]3C[C@H]1[C@@H]2C3 ZINC000925689671 646414403 /nfs/dbraw/zinc/41/44/03/646414403.db2.gz HVRRFIXGYFJEFY-WXDOIIRRSA-N 2 0 221.348 0.324 20 0 BCADRP C[NH2+]CCCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925691001 646415810 /nfs/dbraw/zinc/41/58/10/646415810.db2.gz LAGNUXQSXFNXAN-WOPDTQHZSA-N 2 0 225.380 0.962 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2O)C12CCC2 ZINC000925689892 646417065 /nfs/dbraw/zinc/41/70/65/646417065.db2.gz DBWQEAADGDWGEZ-GWOFURMSSA-N 2 0 210.321 0.759 20 0 BCADRP NC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925693033 646418311 /nfs/dbraw/zinc/41/83/11/646418311.db2.gz QOIDFTIOEQANCB-ZDCRXTMVSA-N 2 0 237.347 0.500 20 0 BCADRP NC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925693037 646418676 /nfs/dbraw/zinc/41/86/76/646418676.db2.gz QOIDFTIOEQANCB-ZRUFSTJUSA-N 2 0 237.347 0.500 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC[C@H]1CCCC[NH2+]1 ZINC000925695790 646421428 /nfs/dbraw/zinc/42/14/28/646421428.db2.gz XMJATPPVPYSQIS-MNOVXSKESA-N 2 0 211.353 0.859 20 0 BCADRP COCC[NH2+]CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925696891 646421806 /nfs/dbraw/zinc/42/18/06/646421806.db2.gz BSOFHJMOUIYPNC-GHMZBOCLSA-N 2 0 227.352 0.082 20 0 BCADRP [NH3+][C@@H](CN[C@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000925696875 646421816 /nfs/dbraw/zinc/42/18/16/646421816.db2.gz BRLQILROSSRIKX-RYUDHWBXSA-N 2 0 223.364 0.988 20 0 BCADRP [NH3+]CCc1ccc(CN[C@@H]2C[NH2+]CCOC2)cc1 ZINC000925696288 646421821 /nfs/dbraw/zinc/42/18/21/646421821.db2.gz YZFRNHYBXUKTHY-CQSZACIVSA-N 2 0 249.358 0.266 20 0 BCADRP [NH3+][C@H]1C[C@@H](NCC2([NH3+])CCC2)C12CCC2 ZINC000925698466 646422827 /nfs/dbraw/zinc/42/28/27/646422827.db2.gz JTERJWXSSDGQFJ-VHSXEESVSA-N 2 0 209.337 0.727 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCC[NH2+][C@@H]1C ZINC000925699624 646423142 /nfs/dbraw/zinc/42/31/42/646423142.db2.gz LHICHHFBLVZZNZ-WYUUTHIRSA-N 2 0 211.353 0.715 20 0 BCADRP [NH3+][C@H](C[NH2+]C1[C@@H]2CC[C@H]1CC([NH3+])C2)C1CC1 ZINC000925699455 646423603 /nfs/dbraw/zinc/42/36/03/646423603.db2.gz OXHBDIYNMHCFSD-IJLVLRJLSA-N 3 0 223.364 0.829 20 0 BCADRP C[C@@H]1NCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000925702495 646424573 /nfs/dbraw/zinc/42/45/73/646424573.db2.gz AOXCRBMILAQSDJ-USZNOCQGSA-N 2 0 211.353 0.844 20 0 BCADRP C[NH2+][C@@H](C)CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925701221 646424718 /nfs/dbraw/zinc/42/47/18/646424718.db2.gz VWMMRNNMDYUSRR-WHOHXGKFSA-N 2 0 225.380 0.961 20 0 BCADRP c1cc(CN[C@H]2C[NH2+]CCOC2)cc2c1C[NH2+]C2 ZINC000925700505 646425074 /nfs/dbraw/zinc/42/50/74/646425074.db2.gz QMNSXALQUOZCKG-AWEZNQCLSA-N 2 0 247.342 0.368 20 0 BCADRP CC1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC[NH2+]CC1 ZINC000925700357 646425566 /nfs/dbraw/zinc/42/55/66/646425566.db2.gz SFRCNNCCWHYNHB-YHQUGGNUSA-N 3 0 249.402 0.962 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000925700504 646425743 /nfs/dbraw/zinc/42/57/43/646425743.db2.gz QLADEDIGBSTYCS-WDEREUQCSA-N 2 0 211.353 0.859 20 0 BCADRP [NH3+]CC1(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925702615 646427167 /nfs/dbraw/zinc/42/71/67/646427167.db2.gz PCQUJNPZHYDOIJ-QWRGUYRKSA-N 3 0 223.364 0.975 20 0 BCADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CN3C[C@@H]2CCC3)CC1 ZINC000925703981 646428407 /nfs/dbraw/zinc/42/84/07/646428407.db2.gz FPKUTEBDGOIJHO-UONOGXRCSA-N 2 0 235.375 0.932 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925707670 646432597 /nfs/dbraw/zinc/43/25/97/646432597.db2.gz MHWBPJQCECHYEP-VTAXGKEESA-N 3 0 235.375 0.700 20 0 BCADRP C[N@H+]1CC=C(C[NH2+][C@H]2C(=O)NCC2(C)C)CC1 ZINC000925709121 646432641 /nfs/dbraw/zinc/43/26/41/646432641.db2.gz SKSRKNXPIWEFEM-NSHDSACASA-N 2 0 237.347 0.363 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925708185 646432940 /nfs/dbraw/zinc/43/29/40/646432940.db2.gz GMIMUFXLCGRTPU-IRCOFANPSA-N 2 0 242.363 0.896 20 0 BCADRP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)CO1 ZINC000925710454 646433842 /nfs/dbraw/zinc/43/38/42/646433842.db2.gz KEPIYYGNURTSHD-HTXLXMOSSA-N 2 0 240.347 0.506 20 0 BCADRP [NH3+]Cc1ccc(CN[C@H]2C[NH2+]CCOC2)cc1 ZINC000925709310 646434824 /nfs/dbraw/zinc/43/48/24/646434824.db2.gz HVNDFGJJCBGXEO-ZDUSSCGKSA-N 2 0 235.331 0.223 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1C[NH2+]CCCO1 ZINC000925710774 646435186 /nfs/dbraw/zinc/43/51/86/646435186.db2.gz QSBZFFXPKAMKFE-SRVKXCTJSA-N 2 0 227.352 0.095 20 0 BCADRP FC1(F)CC[NH2+]C[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925713962 646439745 /nfs/dbraw/zinc/43/97/45/646439745.db2.gz ZMDYMNNVBGLJRK-ZJUUUORDSA-N 2 0 245.317 0.858 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925719734 646444582 /nfs/dbraw/zinc/44/45/82/646444582.db2.gz VIOFEKIWCJQQQH-WDEREUQCSA-N 3 0 227.352 0.211 20 0 BCADRP C[NH2+]CCOCCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925721322 646446805 /nfs/dbraw/zinc/44/68/05/646446805.db2.gz ZBZLDGUCEZRRJE-LLVKDONJSA-N 2 0 227.352 0.097 20 0 BCADRP CC1(C)CC[C@H](CN[C@@H]2C[NH2+]CCOC2)[NH2+]C1 ZINC000925726851 646452048 /nfs/dbraw/zinc/45/20/48/646452048.db2.gz XEBNVIVBIXFMES-VXGBXAGGSA-N 2 0 241.379 0.343 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925725581 646452078 /nfs/dbraw/zinc/45/20/78/646452078.db2.gz AUGGSVRQKIQHNQ-DBIOUOCHSA-N 3 0 209.337 0.583 20 0 BCADRP O[C@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925727956 646452129 /nfs/dbraw/zinc/45/21/29/646452129.db2.gz CINOSSWVBVBEGA-DCAQKATOSA-N 2 0 210.321 0.632 20 0 BCADRP CC(C)[C@H]1CN([C@@H]2C[NH2+]CCOC2)CC[N@@H+]1C ZINC000925725848 646452341 /nfs/dbraw/zinc/45/23/41/646452341.db2.gz BZAPIYCAZWIZDH-CHWSQXEVSA-N 2 0 241.379 0.247 20 0 BCADRP C[C@@H](C[C@H]1COCCN1)[NH2+]CCC(C)(C)[NH3+] ZINC000925737938 646454684 /nfs/dbraw/zinc/45/46/84/646454684.db2.gz RCPJLOBHOZDMQS-QWRGUYRKSA-N 2 0 229.368 0.470 20 0 BCADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])C1 ZINC000925736418 646460124 /nfs/dbraw/zinc/46/01/24/646460124.db2.gz MPTWSHVVEIRPEV-PJSNJIKXSA-N 2 0 242.363 0.753 20 0 BCADRP CC(C)([NH3+])CC[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000925736957 646460772 /nfs/dbraw/zinc/46/07/72/646460772.db2.gz LSLFNMDJBFKZTB-VXGBXAGGSA-N 2 0 241.379 0.470 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000925777627 646463879 /nfs/dbraw/zinc/46/38/79/646463879.db2.gz GCSMQLILIYVQCK-TUAOUCFPSA-N 3 0 229.368 0.600 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000925777630 646464063 /nfs/dbraw/zinc/46/40/63/646464063.db2.gz GCSMQLILIYVQCK-WOPDTQHZSA-N 3 0 229.368 0.600 20 0 BCADRP C[C@H](NC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000925783549 646464345 /nfs/dbraw/zinc/46/43/45/646464345.db2.gz DHPZENRFEDSNHM-RHYQMDGZSA-N 2 0 211.353 0.572 20 0 BCADRP Nc1cc[nH+]c(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000925766768 646468250 /nfs/dbraw/zinc/46/82/50/646468250.db2.gz LVWKIQZSUAMQOT-BXKDBHETSA-N 2 0 220.320 0.881 20 0 BCADRP Nc1cc[nH+]c(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000925766770 646468824 /nfs/dbraw/zinc/46/88/24/646468824.db2.gz LVWKIQZSUAMQOT-CABZTGNLSA-N 2 0 220.320 0.881 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CO)C[C@@H]2CCCO2)C1 ZINC000925766261 646469191 /nfs/dbraw/zinc/46/91/91/646469191.db2.gz ILOMABVCSFSQMT-VOAKCMCISA-N 2 0 242.363 0.776 20 0 BCADRP C[C@H](N[C@H](CO)C[C@H]1CCCO1)[C@H]1CCC[NH2+]1 ZINC000925767085 646469363 /nfs/dbraw/zinc/46/93/63/646469363.db2.gz MIDIEEFMMYDYOQ-WUHRBBMRSA-N 2 0 242.363 0.647 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1NCc1cc(N)cc[nH+]1 ZINC000925770775 646471100 /nfs/dbraw/zinc/47/11/00/646471100.db2.gz JAFYJVDBEZUCMK-CABZTGNLSA-N 2 0 220.320 0.704 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1C[NH2+]CCC1(F)F ZINC000925774514 646473065 /nfs/dbraw/zinc/47/30/65/646473065.db2.gz AWXBEBFOXPPZCS-HBNTYKKESA-N 2 0 247.333 0.961 20 0 BCADRP C[C@@H](NC[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000925776843 646474660 /nfs/dbraw/zinc/47/46/60/646474660.db2.gz MVECIBJJPFCARE-MXWKQRLJSA-N 2 0 247.333 0.961 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925780152 646477875 /nfs/dbraw/zinc/47/78/75/646477875.db2.gz OZFASQUYCXNTLY-KGUPDPQBSA-N 2 0 221.348 0.180 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000925782296 646479370 /nfs/dbraw/zinc/47/93/70/646479370.db2.gz FEAGFRXGGMRQRJ-NOOOWODRSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCC(O)CC1 ZINC000925782955 646479715 /nfs/dbraw/zinc/47/97/15/646479715.db2.gz BKHKKDKFBMDLGP-QKEWWQLBSA-N 2 0 212.337 0.735 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000925786836 646483638 /nfs/dbraw/zinc/48/36/38/646483638.db2.gz VTSYPAGIHFXDBH-NOOOWODRSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925787475 646483657 /nfs/dbraw/zinc/48/36/57/646483657.db2.gz TWRPXCKRJYOXKA-UCEQBCCISA-N 2 0 223.364 0.715 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000925791485 646484912 /nfs/dbraw/zinc/48/49/12/646484912.db2.gz QWZLUYVVQQBSHP-OWTLIXCDSA-N 2 0 237.391 0.914 20 0 BCADRP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925791484 646485856 /nfs/dbraw/zinc/48/58/56/646485856.db2.gz QWZLUYVVQQBSHP-NRWUCQMLSA-N 2 0 237.391 0.914 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000925798423 646486930 /nfs/dbraw/zinc/48/69/30/646486930.db2.gz WPKRXWMAZLKBLJ-YVECIDJPSA-N 3 0 225.380 0.949 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925796006 646486954 /nfs/dbraw/zinc/48/69/54/646486954.db2.gz JOVKYWLYAIDKEF-FDYHWXHSSA-N 2 0 225.380 0.772 20 0 BCADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)C1C[NH2+]C1 ZINC000925803622 646487877 /nfs/dbraw/zinc/48/78/77/646487877.db2.gz SDPPELXGDUFVIA-GMTAPVOTSA-N 3 0 211.353 0.430 20 0 BCADRP C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)[C@@H]1CCC[NH2+]1 ZINC000925812792 646490426 /nfs/dbraw/zinc/49/04/26/646490426.db2.gz PKDORBKJVKCCLR-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)[C@@H](C)O1 ZINC000925816816 646492504 /nfs/dbraw/zinc/49/25/04/646492504.db2.gz JNLUAUFNRZGSEG-NQBHXWOUSA-N 2 0 241.379 0.565 20 0 BCADRP Cc1cc(CC[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)nn1C ZINC000925834772 646502864 /nfs/dbraw/zinc/50/28/64/646502864.db2.gz OTBAHELJBNIBBS-NWDGAFQWSA-N 2 0 236.363 0.859 20 0 BCADRP CCO[C@H](CN[C@H](C)C1C[NH2+]C1)C[NH+](C)C ZINC000925841416 646507689 /nfs/dbraw/zinc/50/76/89/646507689.db2.gz QXSPBOLMGLFVMZ-ZYHUDNBSSA-N 2 0 229.368 0.151 20 0 BCADRP C(NC1CC[NH2+]CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841565 646507867 /nfs/dbraw/zinc/50/78/67/646507867.db2.gz QIVQTNVPNFTEJV-CHWSQXEVSA-N 2 0 223.364 0.860 20 0 BCADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CNOC1 ZINC000925859037 646513252 /nfs/dbraw/zinc/51/32/52/646513252.db2.gz FLRBLFFKEUIRFV-GXSJLCMTSA-N 2 0 236.319 0.403 20 0 BCADRP [NH3+]CCC[C@@H]([NH2+][C@@H]1CNOC1)c1ccccc1 ZINC000925860779 646515165 /nfs/dbraw/zinc/51/51/65/646515165.db2.gz UQSQFCYRDIGAJA-CHWSQXEVSA-N 2 0 235.331 0.960 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000925874057 646523853 /nfs/dbraw/zinc/52/38/53/646523853.db2.gz GZSPECVSOGTVJZ-YNEHKIRRSA-N 2 0 242.363 0.899 20 0 BCADRP CCOCCOCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000925876205 646525588 /nfs/dbraw/zinc/52/55/88/646525588.db2.gz YVCJHBYFEHMKIU-NWDGAFQWSA-N 2 0 230.352 0.757 20 0 BCADRP CCOCCOCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000925876207 646526360 /nfs/dbraw/zinc/52/63/60/646526360.db2.gz YVCJHBYFEHMKIU-VXGBXAGGSA-N 2 0 230.352 0.757 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925879977 646528724 /nfs/dbraw/zinc/52/87/24/646528724.db2.gz NLDFQWBUFDSZHB-XVZUFCMUSA-N 3 0 235.375 0.700 20 0 BCADRP Cn1nnc2c1C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)CC2 ZINC000925892419 646533720 /nfs/dbraw/zinc/53/37/20/646533720.db2.gz AOPAVQONDBDDME-MNOVXSKESA-N 2 0 249.362 0.404 20 0 BCADRP Cn1cncc1CC[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000926202040 646593815 /nfs/dbraw/zinc/59/38/15/646593815.db2.gz AUMZCHFDVXKNAX-ONXXMXGDSA-N 2 0 248.374 0.892 20 0 BCADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000926254662 646606381 /nfs/dbraw/zinc/60/63/81/646606381.db2.gz MZXYAUUEYRCYCW-ITGUQSILSA-N 2 0 244.379 0.825 20 0 BCADRP C[C@@H]1COC[C@H]1[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000926451362 646641674 /nfs/dbraw/zinc/64/16/74/646641674.db2.gz YXYKKTYGSQLGAH-VDDIYKPWSA-N 2 0 221.304 0.892 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723921653 711545643 /nfs/dbraw/zinc/54/56/43/711545643.db2.gz FFEZTTVZFKLLKW-UTUOFQBUSA-N 2 0 230.352 0.301 20 0 BCADRP [NH3+]CC[C@H]1CCC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724924583 711629159 /nfs/dbraw/zinc/62/91/59/711629159.db2.gz YGQCGHKTVVZWJG-CHWSQXEVSA-N 2 0 242.363 0.853 20 0 BCADRP C[C@@H]1C[N@H+](CCO[C@H]2CCOC2)CC[C@H]1[NH3+] ZINC000724912400 711627011 /nfs/dbraw/zinc/62/70/11/711627011.db2.gz CWOFGRGSHXIXCA-GRYCIOLGSA-N 2 0 228.336 0.461 20 0 BCADRP C[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)CC[NH+]1C ZINC000383376609 711657569 /nfs/dbraw/zinc/65/75/69/711657569.db2.gz DASRKNDRVKMKCA-DGCLKSJQSA-N 2 0 241.379 0.077 20 0 BCADRP C[C@@H]1CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000309064081 711661077 /nfs/dbraw/zinc/66/10/77/711661077.db2.gz YBQNMHBYEGMTRN-GRYCIOLGSA-N 2 0 212.337 0.831 20 0 BCADRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CC2)C1 ZINC000719343021 711669974 /nfs/dbraw/zinc/66/99/74/711669974.db2.gz BQGUDFZILFXFGN-JTQLQIEISA-N 2 0 224.352 0.995 20 0 BCADRP CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000160055296 711805516 /nfs/dbraw/zinc/80/55/16/711805516.db2.gz FBWQICRNEQZHRV-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876938213 711826193 /nfs/dbraw/zinc/82/61/93/711826193.db2.gz VJXWTWFKQZEQAL-QWRGUYRKSA-N 2 0 245.342 0.569 20 0 BCADRP CO[C@H]1C[C@@H](C[N@H+](C)CCOCC[NH3+])C1 ZINC000721972779 711854567 /nfs/dbraw/zinc/85/45/67/711854567.db2.gz SENRANIUWPJRPE-PHIMTYICSA-N 2 0 216.325 0.319 20 0 BCADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C(=O)NC ZINC000700470313 711993695 /nfs/dbraw/zinc/99/36/95/711993695.db2.gz BVTUPYCWXBYQBR-LPEHRKFASA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H](CO)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702278340 712045336 /nfs/dbraw/zinc/04/53/36/712045336.db2.gz LRCDKWHULDRCFL-SDDRHHMPSA-N 2 0 212.337 0.498 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]([NH3+])CCC(C)C ZINC000704463423 712109135 /nfs/dbraw/zinc/10/91/35/712109135.db2.gz XFIPJBSPHSQJKZ-JTQLQIEISA-N 2 0 215.341 0.428 20 0 BCADRP CCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000705817462 712136711 /nfs/dbraw/zinc/13/67/11/712136711.db2.gz ZSTHIPFCDHQNJP-VXGBXAGGSA-N 2 0 241.379 0.594 20 0 BCADRP CC[C@H](CO)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000707891348 712172381 /nfs/dbraw/zinc/17/23/81/712172381.db2.gz CUBIMLVGOAXZBL-GHMZBOCLSA-N 2 0 200.326 0.831 20 0 BCADRP C[C@@H](CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1)[NH+](C)C ZINC000711059188 712277357 /nfs/dbraw/zinc/27/73/57/712277357.db2.gz JZSABCDIADRCIE-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP FC[C@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000711454069 712303812 /nfs/dbraw/zinc/30/38/12/712303812.db2.gz MKTZCSNJYGBCNV-GHMZBOCLSA-N 2 0 228.311 0.799 20 0 BCADRP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H](CF)C1 ZINC000711466090 712302555 /nfs/dbraw/zinc/30/25/55/712302555.db2.gz DPOYWZRNUVWNNK-NEPJUHHUSA-N 2 0 248.342 0.217 20 0 BCADRP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)OC1CC1 ZINC000711755676 712324846 /nfs/dbraw/zinc/32/48/46/712324846.db2.gz YCHRNXOTGBTSLF-CMPLNLGQSA-N 2 0 210.321 0.849 20 0 BCADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478930 712334480 /nfs/dbraw/zinc/33/44/80/712334480.db2.gz JINAIMAJWFBJOW-STQMWFEESA-N 2 0 244.379 0.833 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000390206183 712387414 /nfs/dbraw/zinc/38/74/14/712387414.db2.gz SIVNHIAANVKUEV-VHSXEESVSA-N 2 0 213.325 0.213 20 0 BCADRP FC(F)[C@@H]1C[NH2+]CCN1C[C@H]1CC[NH2+]C1 ZINC000390752576 712427305 /nfs/dbraw/zinc/42/73/05/712427305.db2.gz DVRQSJWJKOWHKZ-IUCAKERBSA-N 2 0 219.279 0.135 20 0 BCADRP COC[C@H](C[N@@H+]1CC[NH2+]CCC12CCC2)OC ZINC000713125516 712453549 /nfs/dbraw/zinc/45/35/49/712453549.db2.gz OKGXAPZTLFJXEP-LBPRGKRZSA-N 2 0 242.363 0.866 20 0 BCADRP C[N@H+](CCCOC(F)(F)F)C[C@H](O)C[NH3+] ZINC000713399048 712459037 /nfs/dbraw/zinc/45/90/37/712459037.db2.gz UETSPDSJJNSYNB-SSDOTTSWSA-N 2 0 230.230 0.164 20 0 BCADRP CC(C)(C[NH3+])C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000714406395 712485004 /nfs/dbraw/zinc/48/50/04/712485004.db2.gz UTPMHWPRUIHFEK-LLVKDONJSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH+](C)Cc1ccc(NC(=O)C[NH3+])cc1 ZINC000037042483 712530613 /nfs/dbraw/zinc/53/06/13/712530613.db2.gz UEZHLNSCFAHFPX-UHFFFAOYSA-N 2 0 207.277 0.645 20 0 BCADRP CC1(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)OCCO1 ZINC000715896186 712540482 /nfs/dbraw/zinc/54/04/82/712540482.db2.gz SVFVRZQVZCEWES-WDEREUQCSA-N 2 0 228.336 0.999 20 0 BCADRP Cc1ncc(C[NH2+]CC2(C)OCCO2)n1C ZINC000716916331 712582115 /nfs/dbraw/zinc/58/21/15/712582115.db2.gz ORGFVCLRIBFVAN-UHFFFAOYSA-N 2 0 225.292 0.581 20 0 BCADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CO)CC(F)F)C12CCC2 ZINC000717721973 712666965 /nfs/dbraw/zinc/66/69/65/712666965.db2.gz FIZUSDWHXLKDDD-YIZRAAEISA-N 2 0 234.290 0.862 20 0 BCADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CO)CC(F)F)C12CCC2 ZINC000717721966 712667040 /nfs/dbraw/zinc/66/70/40/712667040.db2.gz FIZUSDWHXLKDDD-HLTSFMKQSA-N 2 0 234.290 0.862 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)CCCCCC[NH3+])C1 ZINC000037647115 712733842 /nfs/dbraw/zinc/73/38/42/712733842.db2.gz JBQFOHDKCUJERC-LBPRGKRZSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000718010513 712735977 /nfs/dbraw/zinc/73/59/77/712735977.db2.gz INAFSPVLFWBNBU-QCNOEVLYSA-N 2 0 239.363 0.700 20 0 BCADRP C(C[NH2+]C1CC1)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718211180 712754026 /nfs/dbraw/zinc/75/40/26/712754026.db2.gz SWUICJDSPTZZCM-PHIMTYICSA-N 2 0 210.321 0.707 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000037826093 712768928 /nfs/dbraw/zinc/76/89/28/712768928.db2.gz RPEBLPHUSGVHQO-SECBINFHSA-N 2 0 213.325 0.134 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C(C)(C)C[NH3+] ZINC000720890772 712874947 /nfs/dbraw/zinc/87/49/47/712874947.db2.gz UEEVYSPVVMPREQ-MNOVXSKESA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720895495 712876941 /nfs/dbraw/zinc/87/69/41/712876941.db2.gz XWGJZHOOZNRBSB-BBBLOLIVSA-N 2 0 211.309 0.029 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720904916 712877305 /nfs/dbraw/zinc/87/73/05/712877305.db2.gz XSTFVFIQPBRWPL-SRVKXCTJSA-N 2 0 239.363 0.537 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720963273 712883151 /nfs/dbraw/zinc/88/31/51/712883151.db2.gz SRMCYHGQBVNWSW-KKOKHZNYSA-N 2 0 212.337 0.864 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000721074595 712889963 /nfs/dbraw/zinc/88/99/63/712889963.db2.gz PVVYSHIYAWGLCF-RHYQMDGZSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)C1CCC([NH3+])CC1 ZINC000381034949 710598353 /nfs/dbraw/zinc/59/83/53/710598353.db2.gz BCKIYWIKUYHEOT-XNWIYYODSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)CCCCCC[NH3+] ZINC000381294031 710617199 /nfs/dbraw/zinc/61/71/99/710617199.db2.gz FPZLFNSAELJETR-SNVBAGLBSA-N 2 0 215.341 0.749 20 0 BCADRP CC[NH2+]CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000381573116 710655647 /nfs/dbraw/zinc/65/56/47/710655647.db2.gz YKEFFPANVGGJJD-LLVKDONJSA-N 2 0 213.325 0.102 20 0 BCADRP O=C1OCC[C@@H]1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000393742161 710672251 /nfs/dbraw/zinc/67/22/51/710672251.db2.gz CLBRZPNKHJJMET-HBNTYKKESA-N 2 0 224.304 0.091 20 0 BCADRP CO[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000721908215 710690004 /nfs/dbraw/zinc/69/00/04/710690004.db2.gz UTIGPUJRPASVGG-WUHRBBMRSA-N 2 0 224.348 0.953 20 0 BCADRP CC(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039030330 710717049 /nfs/dbraw/zinc/71/70/49/710717049.db2.gz YVUQKLFPAIXYRN-NEPJUHHUSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000723548349 710728104 /nfs/dbraw/zinc/72/81/04/710728104.db2.gz UCYXFCMNFLJLSB-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723890369 710732419 /nfs/dbraw/zinc/73/24/19/710732419.db2.gz GBMXVJBYKCCRAH-GRYCIOLGSA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCO[C@@H]1CCOC1 ZINC000724921486 710748703 /nfs/dbraw/zinc/74/87/03/710748703.db2.gz LTGPIVLIDNFEOC-CHWSQXEVSA-N 2 0 242.363 0.995 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000393824003 710804079 /nfs/dbraw/zinc/80/40/79/710804079.db2.gz LQQJYLSYDQJWPL-NSHDSACASA-N 2 0 229.368 0.962 20 0 BCADRP COCC[N@H+](C)CCN[C@H]1CCC[NH2+][C@@H]1C ZINC000396682997 710907535 /nfs/dbraw/zinc/90/75/35/710907535.db2.gz WTNSOKXTQHACBE-NEPJUHHUSA-N 2 0 229.368 0.295 20 0 BCADRP COCCOCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000133093313 710967885 /nfs/dbraw/zinc/96/78/85/710967885.db2.gz TWKUMJQEBWHTBZ-NWDGAFQWSA-N 2 0 230.352 0.566 20 0 BCADRP CCCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000133077561 710968653 /nfs/dbraw/zinc/96/86/53/710968653.db2.gz JWBGAZUADBZJOM-GHMZBOCLSA-N 2 0 227.352 0.429 20 0 BCADRP COC[C@@](C)(O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000382532626 710973175 /nfs/dbraw/zinc/97/31/75/710973175.db2.gz AUHUZHIENXZKBJ-LBPRGKRZSA-N 2 0 230.352 0.315 20 0 BCADRP COC[C@](C)(O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000382532625 710973854 /nfs/dbraw/zinc/97/38/54/710973854.db2.gz AUHUZHIENXZKBJ-GFCCVEGCSA-N 2 0 230.352 0.315 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000383564367 710982672 /nfs/dbraw/zinc/98/26/72/710982672.db2.gz FKKYFQFSMSWCKZ-NWDGAFQWSA-N 2 0 239.363 0.666 20 0 BCADRP C[N@@H+](CC(=O)N1CCCC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000383594034 710983340 /nfs/dbraw/zinc/98/33/40/710983340.db2.gz ONEXYNQHYFGXIJ-NEPJUHHUSA-N 2 0 239.363 0.668 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000384839533 710998019 /nfs/dbraw/zinc/99/80/19/710998019.db2.gz IBAWALZUIXVXGH-ONGXEEELSA-N 2 0 216.325 0.317 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000380765155 712903028 /nfs/dbraw/zinc/90/30/28/712903028.db2.gz XGVFHBJRDSMZEL-WDEREUQCSA-N 2 0 225.336 0.006 20 0 BCADRP Cn1ncc(CN[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000389806906 711089313 /nfs/dbraw/zinc/08/93/13/711089313.db2.gz CKFSKQIMXWWEJS-DTWKUNHWSA-N 2 0 209.297 0.175 20 0 BCADRP C[C@@H](C[NH2+]C1CCN(C=O)CC1)N(C)C ZINC000389894580 711096435 /nfs/dbraw/zinc/09/64/35/711096435.db2.gz XWUKVCAVFRIPDC-JTQLQIEISA-N 2 0 213.325 0.147 20 0 BCADRP CCc1nc(CNC(C[NH3+])C[NH3+])cs1 ZINC000390187617 711107095 /nfs/dbraw/zinc/10/70/95/711107095.db2.gz MFWPZRAOQYZPRU-UHFFFAOYSA-N 2 0 214.338 0.081 20 0 BCADRP C[C@@]1(C(N)=O)CC[N@H+](CCCCCC[NH3+])C1 ZINC000390465398 711119373 /nfs/dbraw/zinc/11/93/73/711119373.db2.gz AGDPRGLYDJODCV-GFCCVEGCSA-N 2 0 227.352 0.703 20 0 BCADRP CCc1ccc(CNC(C[NH3+])C[NH3+])cc1 ZINC000390517763 711122979 /nfs/dbraw/zinc/12/29/79/711122979.db2.gz DLPQKHHHTHDVJA-UHFFFAOYSA-N 2 0 207.321 0.625 20 0 BCADRP C[C@H]1C[N@H+](CCn2cncn2)CC[C@H]1C[NH3+] ZINC000390583759 711126495 /nfs/dbraw/zinc/12/64/95/711126495.db2.gz QBGVHQAQPSIVHG-QWRGUYRKSA-N 2 0 223.324 0.195 20 0 BCADRP CC(C)C[N@@H+](CC(N)=O)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000390653573 711130912 /nfs/dbraw/zinc/13/09/12/711130912.db2.gz ODRVMDLWTSSPMD-MNOVXSKESA-N 2 0 227.352 0.557 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000392807938 711152525 /nfs/dbraw/zinc/15/25/25/711152525.db2.gz DQGIJSBXLYZLQP-GFCCVEGCSA-N 2 0 239.363 0.738 20 0 BCADRP C[C@H](CC[NH+](C)C)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000392873019 711153179 /nfs/dbraw/zinc/15/31/79/711153179.db2.gz DVJHYAMLYFAZIM-QQOHENMQSA-N 2 0 237.391 0.913 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C[C@@H](O)C(F)(F)F)C1 ZINC000393728076 711171478 /nfs/dbraw/zinc/17/14/78/711171478.db2.gz JTUIPJYLPQJTJJ-SFYZADRCSA-N 2 0 226.242 0.580 20 0 BCADRP CCC1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)COC1 ZINC000393959378 711180142 /nfs/dbraw/zinc/18/01/42/711180142.db2.gz NWVKNTPXVGSBML-NWBUJAPZSA-N 2 0 236.359 0.999 20 0 BCADRP CC(C)(C)[C@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000393977330 711180429 /nfs/dbraw/zinc/18/04/29/711180429.db2.gz XTNFHIWPDWMYRZ-RYUDHWBXSA-N 2 0 244.379 0.440 20 0 BCADRP CC[C@H]1C[N@@H+](C(COC)COC)CC[C@@H]1[NH3+] ZINC000395339117 711208392 /nfs/dbraw/zinc/20/83/92/711208392.db2.gz ARNBANXJCXOXEO-JQWIXIFHSA-N 2 0 230.352 0.707 20 0 BCADRP CC[C@@H]1C[N@@H+](C(COC)COC)CC[C@@H]1[NH3+] ZINC000395339118 711208508 /nfs/dbraw/zinc/20/85/08/711208508.db2.gz ARNBANXJCXOXEO-PWSUYJOCSA-N 2 0 230.352 0.707 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NCC[NH+]1CCCC1 ZINC000396587936 711356541 /nfs/dbraw/zinc/35/65/41/711356541.db2.gz IIKCTHZRXHPHSO-NEPJUHHUSA-N 2 0 211.353 0.812 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NCC[NH+]1CCCC1 ZINC000396587938 711357520 /nfs/dbraw/zinc/35/75/20/711357520.db2.gz IIKCTHZRXHPHSO-NWDGAFQWSA-N 2 0 211.353 0.812 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NCC1=CC[N@H+](C)CC1 ZINC000396702138 711365776 /nfs/dbraw/zinc/36/57/76/711365776.db2.gz LJNKUTHMORHCIT-WCQYABFASA-N 2 0 223.364 0.978 20 0 BCADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)C1CC1 ZINC000397982067 711397498 /nfs/dbraw/zinc/39/74/98/711397498.db2.gz MWYFMRWXOREBMJ-SNVBAGLBSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CCC[NH+](C)C ZINC000381213418 710609248 /nfs/dbraw/zinc/60/92/48/710609248.db2.gz FLQNOMLHYPCIOD-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP CCCN(C(=O)C[NH2+]CC)[C@@H]1CC[NH2+]C1 ZINC000381480724 710643270 /nfs/dbraw/zinc/64/32/70/710643270.db2.gz DDUABFYCERKQMM-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000381484557 710643676 /nfs/dbraw/zinc/64/36/76/710643676.db2.gz HIFXHQRQLJLFCY-UHFFFAOYSA-N 3 0 211.353 0.671 20 0 BCADRP CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccnc1 ZINC001018338399 710664177 /nfs/dbraw/zinc/66/41/77/710664177.db2.gz XDLJQWNJBXBRGF-TXEJJXNPSA-N 2 0 248.330 0.578 20 0 BCADRP CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001044958184 710834050 /nfs/dbraw/zinc/83/40/50/710834050.db2.gz GELJEKLHAHWJQL-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@@H+](C(COC)COC)C1 ZINC000384974157 711001362 /nfs/dbraw/zinc/00/13/62/711001362.db2.gz PTESFFQSUJOYHZ-LLVKDONJSA-N 2 0 230.352 0.579 20 0 BCADRP C[C@@H](CNC1=[NH+]CCCN1C)C[NH+](C)C ZINC000386542593 711032718 /nfs/dbraw/zinc/03/27/18/711032718.db2.gz DSFBPQUXYUTZIS-JTQLQIEISA-N 2 0 212.341 0.465 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NCC[NH+]1CCC(O)CC1 ZINC000396697331 711365115 /nfs/dbraw/zinc/36/51/15/711365115.db2.gz FTOVTZJENCSRRY-YPMHNXCESA-N 2 0 241.379 0.173 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC1=CC[N@H+](C)CC1 ZINC000396702136 711365887 /nfs/dbraw/zinc/36/58/87/711365887.db2.gz LJNKUTHMORHCIT-AAEUAGOBSA-N 2 0 223.364 0.978 20 0 BCADRP C[C@H](CCO)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000397744337 711390109 /nfs/dbraw/zinc/39/01/09/711390109.db2.gz IOMZEBXJDICQFL-SNIKSBKOSA-N 2 0 238.375 0.981 20 0 BCADRP OC1(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCC1 ZINC000397732492 711390594 /nfs/dbraw/zinc/39/05/94/711390594.db2.gz WWLUTTQEOBFFQW-NWBUJAPZSA-N 2 0 236.359 0.878 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001074709854 711444468 /nfs/dbraw/zinc/44/44/68/711444468.db2.gz SVKLKMHFMHJERS-SDDRHHMPSA-N 2 0 241.379 0.926 20 0 BCADRP O[C@@H]1CC[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000383256823 711493421 /nfs/dbraw/zinc/49/34/21/711493421.db2.gz FQNFPSQOVNYKTO-ISCIKXKRSA-N 2 0 236.359 0.733 20 0 BCADRP CC[C@@H]1C[C@H]1C[N@H+](C)CCOCC[NH3+] ZINC000723054268 711497957 /nfs/dbraw/zinc/49/79/57/711497957.db2.gz DCOMKHQCRASWRH-MNOVXSKESA-N 2 0 200.326 0.940 20 0 BCADRP C[NH+](C)CCNC(=S)NC(C)(C)C[NH+](C)C ZINC000840838899 711521668 /nfs/dbraw/zinc/52/16/68/711521668.db2.gz TUCCJBWVSVDWJL-UHFFFAOYSA-N 2 0 246.424 0.352 20 0 BCADRP COC(=O)[C@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723684398 711534070 /nfs/dbraw/zinc/53/40/70/711534070.db2.gz XFGHEZOXBXINFQ-IUCAKERBSA-N 2 0 200.282 0.219 20 0 BCADRP Cn1nccc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723710427 711535670 /nfs/dbraw/zinc/53/56/70/711535670.db2.gz UPZZPGBRPKKQTG-SNVBAGLBSA-N 2 0 208.309 0.591 20 0 BCADRP C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)C1C[NH2+]C1 ZINC000723879214 711541807 /nfs/dbraw/zinc/54/18/07/711541807.db2.gz MEJQVNSMNYVQAX-VIFPVBQESA-N 2 0 248.392 0.255 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1CC[NH3+] ZINC000723881638 711543394 /nfs/dbraw/zinc/54/33/94/711543394.db2.gz CARGQRYNYLZULX-ZYHUDNBSSA-N 2 0 222.336 0.837 20 0 BCADRP C[C@@H]1C[N@H+](CCC(=O)N(C)C)C[C@H]1CC[NH3+] ZINC000723887865 711544070 /nfs/dbraw/zinc/54/40/70/711544070.db2.gz ZEXQMDLPXKDDPL-GHMZBOCLSA-N 2 0 227.352 0.381 20 0 BCADRP C[C@@H]1C[N@@H+]([C@@H]2CCOC2=O)C[C@H]1CC[NH3+] ZINC000723901175 711544108 /nfs/dbraw/zinc/54/41/08/711544108.db2.gz OJEHCFBUEJTNGP-OPRDCNLKSA-N 2 0 212.293 0.219 20 0 BCADRP COCC(COC)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892686 711544415 /nfs/dbraw/zinc/54/44/15/711544415.db2.gz UQBGXSLZWKYBPL-GHMZBOCLSA-N 2 0 230.352 0.565 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1CC[NH3+] ZINC000723901918 711544814 /nfs/dbraw/zinc/54/48/14/711544814.db2.gz TVRRMUZBJXCCPD-IJLUTSLNSA-N 2 0 212.337 0.940 20 0 BCADRP CN1CCC[NH+]=C1NC[C@@H]1CCC[N@H+](C)C1 ZINC000386579787 711588270 /nfs/dbraw/zinc/58/82/70/711588270.db2.gz OHKLNPMJAYLKAR-NSHDSACASA-N 2 0 224.352 0.609 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724544386 711588350 /nfs/dbraw/zinc/58/83/50/711588350.db2.gz KHFIKLPWPSBVJN-CLPYTZEMSA-N 2 0 240.347 0.507 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000724601521 711596926 /nfs/dbraw/zinc/59/69/26/711596926.db2.gz TYUMNOUVFGMMFA-NDBYEHHHSA-N 2 0 240.347 0.461 20 0 BCADRP CN1CC[NH+]=C1NCCC[NH+]1CCCC1 ZINC000308909781 711618206 /nfs/dbraw/zinc/61/82/06/711618206.db2.gz WKPSTXSXIOMWBT-UHFFFAOYSA-N 2 0 210.325 0.363 20 0 BCADRP CO[C@@H]1CCOC[C@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000724874445 711622524 /nfs/dbraw/zinc/62/25/24/711622524.db2.gz VSXFRCHPFKVQAP-WRWGMCAJSA-N 2 0 228.336 0.650 20 0 BCADRP CO[C@@H]1CCOC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000724878313 711623264 /nfs/dbraw/zinc/62/32/64/711623264.db2.gz PPVXHJDCWUGSAM-NRUFJFEESA-N 2 0 240.347 0.663 20 0 BCADRP CO[C@@H]1CCOC[C@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000724915134 711627664 /nfs/dbraw/zinc/62/76/64/711627664.db2.gz KOGPGNQDLFFZJC-WYUUTHIRSA-N 2 0 240.347 0.650 20 0 BCADRP CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000724915131 711627813 /nfs/dbraw/zinc/62/78/13/711627813.db2.gz KOGPGNQDLFFZJC-DDHJBXDOSA-N 2 0 240.347 0.650 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000133357132 711637768 /nfs/dbraw/zinc/63/77/68/711637768.db2.gz HWMLXEOHXXPZQP-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@]1(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000160984059 711677939 /nfs/dbraw/zinc/67/79/39/711677939.db2.gz QRFABMDUWFTKOZ-UMNHJUIQSA-N 2 0 225.336 0.515 20 0 BCADRP C[NH+]1CCC(N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000383125979 711682770 /nfs/dbraw/zinc/68/27/70/711682770.db2.gz HSNONLFMZAQVMU-GOCOPAARSA-N 2 0 235.375 0.667 20 0 BCADRP C[C@@H]1NCCC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000925689149 711709604 /nfs/dbraw/zinc/70/96/04/711709604.db2.gz GYRKDFWETJLFGB-QWHCGFSZSA-N 2 0 240.395 0.012 20 0 BCADRP CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000722150249 711712186 /nfs/dbraw/zinc/71/21/86/711712186.db2.gz UDHZZRJOOYEEDY-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925718006 711713487 /nfs/dbraw/zinc/71/34/87/711713487.db2.gz FKAYYTGDWLLYBW-YOOCBKBXSA-N 2 0 235.375 0.713 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925718331 711714018 /nfs/dbraw/zinc/71/40/18/711714018.db2.gz KXXYQFLOUSYLQG-VLEAKVRGSA-N 2 0 209.337 0.596 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334232043 711714130 /nfs/dbraw/zinc/71/41/30/711714130.db2.gz MLDBDNIBBDZYEA-PWSUYJOCSA-N 2 0 225.336 0.326 20 0 BCADRP COCCC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313353210 711717540 /nfs/dbraw/zinc/71/75/40/711717540.db2.gz PAQUZSVTPKLCDV-JTQLQIEISA-N 2 0 202.298 0.073 20 0 BCADRP CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000722184857 711718184 /nfs/dbraw/zinc/71/81/84/711718184.db2.gz XHRDUMOTYLRLPR-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000125542054 711730230 /nfs/dbraw/zinc/73/02/30/711730230.db2.gz MHCBBCLUKGKVDM-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]([NH2+][C@@H]1CN(C)C[C@H]1C)C1CC[NH2+]CC1 ZINC000722253576 711731478 /nfs/dbraw/zinc/73/14/78/711731478.db2.gz OBCOLGDCNRJSFB-NQBHXWOUSA-N 2 0 225.380 0.914 20 0 BCADRP OC[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000107153148 711754352 /nfs/dbraw/zinc/75/43/52/711754352.db2.gz UQSBAUOFSIBDTN-VXGBXAGGSA-N 2 0 212.337 0.833 20 0 BCADRP OC[C@@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000107153143 711754359 /nfs/dbraw/zinc/75/43/59/711754359.db2.gz RRYDFGZJFHNTSZ-LBPRGKRZSA-N 2 0 212.337 0.833 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875913 711761792 /nfs/dbraw/zinc/76/17/92/711761792.db2.gz OZECEJSRPHTDLI-WISYIIOYSA-N 2 0 211.353 0.654 20 0 BCADRP C[C@H](C[NH2+]Cc1cnc[nH]1)N1CC[NH+](C)CC1 ZINC000894242772 711765908 /nfs/dbraw/zinc/76/59/08/711765908.db2.gz WPYGYMFFGVBCQT-LLVKDONJSA-N 2 0 237.351 0.135 20 0 BCADRP CC(C)(C)NC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000160055129 711805418 /nfs/dbraw/zinc/80/54/18/711805418.db2.gz FBWQICRNEQZHRV-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000160056961 711805607 /nfs/dbraw/zinc/80/56/07/711805607.db2.gz OEDGSFOZYDSVSH-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000160040588 711805610 /nfs/dbraw/zinc/80/56/10/711805610.db2.gz VYSOBWKLKZBVPD-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000911673016 711819244 /nfs/dbraw/zinc/81/92/44/711819244.db2.gz IWNBNIXUDYFFEQ-UWVGGRQHSA-N 2 0 245.392 0.325 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)CC(C)(C)C[NH3+])C1 ZINC000911636242 711819271 /nfs/dbraw/zinc/81/92/71/711819271.db2.gz UZZQNPFNHOUACJ-LLVKDONJSA-N 2 0 241.379 0.819 20 0 BCADRP [NH3+]Cc1nocc1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911715665 711819474 /nfs/dbraw/zinc/81/94/74/711819474.db2.gz ZVYJOTMIMVFCLH-MRVPVSSYSA-N 2 0 238.291 0.005 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000069720978 711893339 /nfs/dbraw/zinc/89/33/39/711893339.db2.gz BEJWFVPVESHPKU-NEPJUHHUSA-N 2 0 230.352 0.587 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724469 711893618 /nfs/dbraw/zinc/89/36/18/711893618.db2.gz QOSFJUPIPUAASI-MNOVXSKESA-N 2 0 216.325 0.055 20 0 BCADRP CC[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032131515 711904519 /nfs/dbraw/zinc/90/45/19/711904519.db2.gz MZSXBGVYLWXOMT-UHFFFAOYSA-N 2 0 237.347 0.150 20 0 BCADRP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccnc1C ZINC001032784111 711939365 /nfs/dbraw/zinc/93/93/65/711939365.db2.gz HTXSLQOBKRSVCB-RYUDHWBXSA-N 2 0 248.330 0.497 20 0 BCADRP C[C@H](CNC1=[NH+]CCCCN1)[NH+]1CCCC1 ZINC000700238861 711987919 /nfs/dbraw/zinc/98/79/19/711987919.db2.gz ZLMBMQCCGVJVNA-LLVKDONJSA-N 2 0 224.352 0.800 20 0 BCADRP CCN(CC)C(=O)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702092913 712038528 /nfs/dbraw/zinc/03/85/28/712038528.db2.gz PUVZKRWNELSCHT-WCQYABFASA-N 2 0 239.363 0.396 20 0 BCADRP C[NH2+]CCCN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702278703 712045280 /nfs/dbraw/zinc/04/52/80/712045280.db2.gz CNEZDGKMHSNENR-NWDGAFQWSA-N 2 0 211.353 0.479 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702368877 712048733 /nfs/dbraw/zinc/04/87/33/712048733.db2.gz PRVSLGYDBOENNE-GMXVVIOVSA-N 2 0 239.363 0.380 20 0 BCADRP CO[C@](C)(CO)C[NH2+]CC1CC[NH+](C)CC1 ZINC000702539189 712055114 /nfs/dbraw/zinc/05/51/14/712055114.db2.gz WPNLXIFFDAESGB-LBPRGKRZSA-N 2 0 230.352 0.315 20 0 BCADRP C[NH2+]CCC[N@H+](C)CC1CC(OC)C1 ZINC000703296967 712071378 /nfs/dbraw/zinc/07/13/78/712071378.db2.gz CRQMCKSFTZFSJW-UHFFFAOYSA-N 2 0 200.326 0.953 20 0 BCADRP C[N@@H+](Cc1ccc(N)nn1)CC1CC[NH+](C)CC1 ZINC000703977906 712097008 /nfs/dbraw/zinc/09/70/08/712097008.db2.gz KDCPGNRRCFSTEJ-UHFFFAOYSA-N 2 0 249.362 0.832 20 0 BCADRP CCOC[C@@H](O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000704542606 712110222 /nfs/dbraw/zinc/11/02/22/712110222.db2.gz SGMSFFMWRFUITM-JTQLQIEISA-N 2 0 216.325 0.197 20 0 BCADRP CCOC[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000705805552 712135940 /nfs/dbraw/zinc/13/59/40/712135940.db2.gz DAGOQPGMDPBZCJ-GRYCIOLGSA-N 2 0 228.336 0.461 20 0 BCADRP C[N@H+]1C[C@H]2CN(C[C@@]3(C)CCC[NH2+]C3)C[C@H]2C1 ZINC000706979882 712160154 /nfs/dbraw/zinc/16/01/54/712160154.db2.gz AKFNOZACTCBETG-MJBXVCDLSA-N 2 0 237.391 0.870 20 0 BCADRP CC1(C)CO[C@@H](C[NH+]2CCC(O)(C[NH3+])CC2)C1 ZINC000708341525 712188945 /nfs/dbraw/zinc/18/89/45/712188945.db2.gz SSWXXUJYNDWHRB-LLVKDONJSA-N 2 0 242.363 0.587 20 0 BCADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000708446154 712194964 /nfs/dbraw/zinc/19/49/64/712194964.db2.gz NSWPDACDCMJXTL-SDDRHHMPSA-N 3 0 211.353 0.607 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000709272173 712219001 /nfs/dbraw/zinc/21/90/01/712219001.db2.gz BOQVEVQNEMYVLG-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CC(=O)N(C)C1)[NH2+]2 ZINC000709290416 712219417 /nfs/dbraw/zinc/21/94/17/712219417.db2.gz VFIWABZEVWFFAS-IYKVGLELSA-N 2 0 237.347 0.336 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1ccc2c(c1)CCC2 ZINC000710060253 712243776 /nfs/dbraw/zinc/24/37/76/712243776.db2.gz BUILROZUXDPXOU-UHFFFAOYSA-N 2 0 219.332 0.551 20 0 BCADRP C[N@H+](CCCCCC[NH3+])C[C@@H]1COCCO1 ZINC000710832092 712257949 /nfs/dbraw/zinc/25/79/49/712257949.db2.gz GYXGVESRQJGXSR-GFCCVEGCSA-N 2 0 230.352 0.853 20 0 BCADRP COCC[C@@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710672896 712265445 /nfs/dbraw/zinc/26/54/45/712265445.db2.gz ZCACYHBGPWXFCT-GFCCVEGCSA-N 2 0 244.379 0.800 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710968529 712270488 /nfs/dbraw/zinc/27/04/88/712270488.db2.gz CXVAZJCWVZZZEH-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711387495 712296666 /nfs/dbraw/zinc/29/66/66/712296666.db2.gz ZXSOONLYZZUDDP-LLVKDONJSA-N 2 0 241.379 0.690 20 0 BCADRP C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)OC1CC1 ZINC000711750896 712324051 /nfs/dbraw/zinc/32/40/51/712324051.db2.gz BSDFGBNWKRSYCV-LBPRGKRZSA-N 2 0 210.321 0.851 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000923480265 712334417 /nfs/dbraw/zinc/33/44/17/712334417.db2.gz HBJJNOKOLSQSMZ-RYUDHWBXSA-N 3 0 239.363 0.178 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000923479433 712334765 /nfs/dbraw/zinc/33/47/65/712334765.db2.gz OVQOEJILRCUWCI-QWRGUYRKSA-N 2 0 235.335 0.436 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480386 712335135 /nfs/dbraw/zinc/33/51/35/712335135.db2.gz XYKQPQRWWVABFH-ZJUUUORDSA-N 2 0 218.366 0.381 20 0 BCADRP C[N@@H+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CCC1(C)C ZINC000712627433 712438830 /nfs/dbraw/zinc/43/88/30/712438830.db2.gz UHUSYQHZKNSNHS-XYPYZODXSA-N 2 0 239.363 0.666 20 0 BCADRP CC[NH2+]CC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712668674 712440008 /nfs/dbraw/zinc/44/00/08/712440008.db2.gz KYOGDYVNYGRBMU-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNc1cc(C)[nH+]c(N)n1 ZINC000712537445 712442905 /nfs/dbraw/zinc/44/29/05/712442905.db2.gz DINKMWLOYZJGMD-VIFPVBQESA-N 2 0 221.308 0.873 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CC[NH2+]CCC1(C)C ZINC000712537208 712442946 /nfs/dbraw/zinc/44/29/46/712442946.db2.gz YQWQTOIYSMCXAL-JTQLQIEISA-N 2 0 216.325 0.068 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000712576966 712448176 /nfs/dbraw/zinc/44/81/76/712448176.db2.gz COHMWTPILNNNBQ-CHWSQXEVSA-N 2 0 241.379 0.127 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713239299 712456136 /nfs/dbraw/zinc/45/61/36/712456136.db2.gz KWNVHCGMYSARHV-NRUUGDAUSA-N 2 0 239.363 0.570 20 0 BCADRP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000714244324 712480094 /nfs/dbraw/zinc/48/00/94/712480094.db2.gz HONQEYXNQFYDHP-GWOFURMSSA-N 2 0 246.376 0.422 20 0 BCADRP COC[C@@H](O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714443895 712489238 /nfs/dbraw/zinc/48/92/38/712489238.db2.gz CIPUSIAGNGQDEP-LBPRGKRZSA-N 2 0 244.379 0.691 20 0 BCADRP COC[C@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000714468914 712491360 /nfs/dbraw/zinc/49/13/60/712491360.db2.gz DECFTMAKLZXTMB-XQQFMLRXSA-N 2 0 242.363 0.458 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](CCN2CCOC2=O)C1 ZINC000714552305 712493957 /nfs/dbraw/zinc/49/39/57/712493957.db2.gz GDFYRKKOPLXCOE-JTQLQIEISA-N 2 0 227.308 0.109 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000714994930 712503049 /nfs/dbraw/zinc/50/30/49/712503049.db2.gz MBHFHWVIILXGOG-UPJWGTAASA-N 2 0 242.363 0.458 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000714994934 712503089 /nfs/dbraw/zinc/50/30/89/712503089.db2.gz MBHFHWVIILXGOG-XQQFMLRXSA-N 2 0 242.363 0.458 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)NCC[NH+]2CCCC2)C1(F)F ZINC000715124276 712510802 /nfs/dbraw/zinc/51/08/02/712510802.db2.gz KXRQTGAONZWDIX-RKDXNWHRSA-N 2 0 247.289 0.038 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715517071 712525231 /nfs/dbraw/zinc/52/52/31/712525231.db2.gz HEXLBSBSFQQUEN-HBNTYKKESA-N 2 0 227.352 0.583 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715562447 712528772 /nfs/dbraw/zinc/52/87/72/712528772.db2.gz POGKKVMNTFOBMG-GMTAPVOTSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cn(C)nn1 ZINC000715877837 712538411 /nfs/dbraw/zinc/53/84/11/712538411.db2.gz PCUUTBWIFFNTTJ-SNVBAGLBSA-N 2 0 225.340 0.808 20 0 BCADRP C[C@H]([NH2+]CCC1(C)OCCO1)[C@H]1CCC[NH2+]1 ZINC000716033307 712547197 /nfs/dbraw/zinc/54/71/97/712547197.db2.gz KGSKFJKVCXXVIU-WDEREUQCSA-N 2 0 228.336 0.870 20 0 BCADRP O=C(CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000379930344 712631726 /nfs/dbraw/zinc/63/17/26/712631726.db2.gz OBRDRHBBAMAISR-GHMZBOCLSA-N 2 0 208.305 0.507 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)CC[NH2+]CC1CC1 ZINC000717225860 712640513 /nfs/dbraw/zinc/64/05/13/712640513.db2.gz GNWOBKRLGIYZRG-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)C[C@@H](C)[NH3+])CC1 ZINC000037476625 712647530 /nfs/dbraw/zinc/64/75/30/712647530.db2.gz YCSBDZMLUULZQH-SNVBAGLBSA-N 2 0 227.352 0.713 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)C[C@@H](C)[NH3+])CC1 ZINC000037476344 712647751 /nfs/dbraw/zinc/64/77/51/712647751.db2.gz XGFDAODXIPSZCI-SNVBAGLBSA-N 2 0 227.352 0.666 20 0 BCADRP OC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CCC1 ZINC000717604252 712662050 /nfs/dbraw/zinc/66/20/50/712662050.db2.gz PULZRUWYCKXIJB-SNIKSBKOSA-N 2 0 236.359 0.733 20 0 BCADRP CN(C(=O)[C@H]([NH3+])CC1CC1)C1CC[NH+](C)CC1 ZINC000380040893 712684056 /nfs/dbraw/zinc/68/40/56/712684056.db2.gz JDNWTGLYQZLPMN-GFCCVEGCSA-N 2 0 239.363 0.666 20 0 BCADRP NC(=O)CC1CC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000718461530 712763783 /nfs/dbraw/zinc/76/37/83/712763783.db2.gz UWINZVIEFKVETK-RSJDFQLWSA-N 2 0 239.363 0.748 20 0 BCADRP NC(=O)CC1CC([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000718478458 712766326 /nfs/dbraw/zinc/76/63/26/712766326.db2.gz SWCIXJOAWPWGQL-WFMQAKJHSA-N 2 0 249.358 0.226 20 0 BCADRP C[C@H](CNC(=O)CCCCC[NH3+])[NH+](C)C ZINC000038089239 712806765 /nfs/dbraw/zinc/80/67/65/712806765.db2.gz NATSGWRWYHRALU-SNVBAGLBSA-N 2 0 215.341 0.572 20 0 BCADRP C[C@H](CNC(=O)C1([NH3+])CCCCC1)[NH+](C)C ZINC000038089309 712807605 /nfs/dbraw/zinc/80/76/05/712807605.db2.gz VWMSLQASXBCUCO-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)(CO)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000392890899 712857570 /nfs/dbraw/zinc/85/75/70/712857570.db2.gz TZIXCKWGDIKOCL-RNWYCLNJSA-N 2 0 224.348 0.591 20 0 BCADRP COC[C@@H](C)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720643357 712860673 /nfs/dbraw/zinc/86/06/73/712860673.db2.gz WFHLDGFZSUFBQJ-SDDRHHMPSA-N 2 0 212.337 0.810 20 0 BCADRP C[C@@H](C(=O)NC1CC1)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720795366 712865726 /nfs/dbraw/zinc/86/57/26/712865726.db2.gz TXSXQKRLDQCKEU-OUJBWJOFSA-N 2 0 237.347 0.195 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720808366 712867291 /nfs/dbraw/zinc/86/72/91/712867291.db2.gz WCKOWHCNDWYGGR-AVGNSLFASA-N 2 0 242.363 0.851 20 0 BCADRP COCC[C@@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720860973 712870875 /nfs/dbraw/zinc/87/08/75/712870875.db2.gz MSZPGZWBMJCCKO-GRYCIOLGSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720888193 712874545 /nfs/dbraw/zinc/87/45/45/712874545.db2.gz MHRJRNGKPGXDPE-GMTAPVOTSA-N 2 0 225.336 0.276 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000720901451 712876161 /nfs/dbraw/zinc/87/61/61/712876161.db2.gz SALRTASNGGPNAT-BJDJZHNGSA-N 2 0 237.347 0.419 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720904014 712876208 /nfs/dbraw/zinc/87/62/08/712876208.db2.gz WBSXLBUSQIVWNG-MNOVXSKESA-N 2 0 225.336 0.291 20 0 BCADRP C[NH+]1CCC(C[NH2+]C[C@H]2C[C@@H](O)C2)CC1 ZINC000720915062 712877832 /nfs/dbraw/zinc/87/78/32/712877832.db2.gz PMTYGPDHOLSQEG-TXEJJXNPSA-N 2 0 212.337 0.689 20 0 BCADRP O[C@H]1C[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000720939800 712881269 /nfs/dbraw/zinc/88/12/69/712881269.db2.gz LVNAIESIWXNNTR-YYHQMBLXSA-N 2 0 224.348 0.735 20 0 BCADRP COC(=O)N[C@H]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000721072342 712889912 /nfs/dbraw/zinc/88/99/12/712889912.db2.gz KILZSIASALQOOS-VWYCJHECSA-N 2 0 241.335 0.272 20 0 BCADRP C[NH+](C)Cc1ccnc(N2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)c1 ZINC001164440785 718986678 /nfs/dbraw/zinc/98/66/78/718986678.db2.gz RZFZXGPJUGEJMN-PJXYFTJBSA-N 2 0 232.331 0.537 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ncc2c(n1)C[NH2+]C2 ZINC001164642412 719196381 /nfs/dbraw/zinc/19/63/81/719196381.db2.gz YFCBIVKYQAWKRZ-NXEZZACHSA-N 2 0 247.346 0.609 20 0 BCADRP C[C@@H](C[NH2+]CCC(N)=O)C[NH+]1CCCC1 ZINC000062071156 349437401 /nfs/dbraw/zinc/43/74/01/349437401.db2.gz GVZZBZTZTQRLCU-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP C[NH2+]CCNC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000418329942 192025380 /nfs/dbraw/zinc/02/53/80/192025380.db2.gz OWGSHRXZAWEJAT-LLVKDONJSA-N 2 0 242.367 0.187 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649318585 398141872 /nfs/dbraw/zinc/14/18/72/398141872.db2.gz XPXMAYAQURUYHE-KKOKHZNYSA-N 2 0 237.347 0.289 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H](C)C[NH3+] ZINC000336679288 168321561 /nfs/dbraw/zinc/32/15/61/168321561.db2.gz AHYJUDFWXUDVKO-VIFPVBQESA-N 2 0 215.341 0.463 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[N@H+](C)C1CC1 ZINC000649319613 398142881 /nfs/dbraw/zinc/14/28/81/398142881.db2.gz JZJDQIZCGLJUJY-IQIPOGNMSA-N 2 0 237.347 0.336 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NCCC[NH+](C)C ZINC000044753427 168321823 /nfs/dbraw/zinc/32/18/23/168321823.db2.gz DAMWAQOEXSWITR-UHFFFAOYSA-N 2 0 229.368 0.819 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000236680588 168322734 /nfs/dbraw/zinc/32/27/34/168322734.db2.gz QOEPQWMPKIYRJW-NSHDSACASA-N 2 0 241.379 0.867 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000361739782 168324658 /nfs/dbraw/zinc/32/46/58/168324658.db2.gz YZNSKYDQWRSICI-NSHDSACASA-N 2 0 231.315 0.322 20 0 BCADRP C[C@@]1(C[N@H+](CCCO)C2CC2)CC[NH2+]C1 ZINC000379468277 398147056 /nfs/dbraw/zinc/14/70/56/398147056.db2.gz ZIDBXDPVNYLRAW-GFCCVEGCSA-N 2 0 212.337 0.833 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC(=O)N1 ZINC000257772181 349483826 /nfs/dbraw/zinc/48/38/26/349483826.db2.gz DCLSZDXICGSRTG-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP CN(CC1CC[NH+](C)CC1)C(=O)C[NH2+]C1CC1 ZINC000063124232 349506518 /nfs/dbraw/zinc/50/65/18/349506518.db2.gz BPCHLXWRDVPKOU-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)CCC(C)(C)[NH3+])C1 ZINC000649341939 398158890 /nfs/dbraw/zinc/15/88/90/398158890.db2.gz AYWZTVUXDRRRBF-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)CC2([NH3+])CCC2)C1 ZINC000649342062 398158898 /nfs/dbraw/zinc/15/88/98/398158898.db2.gz JQAKQPYCXOYAHM-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062899402 349496344 /nfs/dbraw/zinc/49/63/44/349496344.db2.gz DIDDCJZKBDKAFE-LBPRGKRZSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@@H](C(N)=O)[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166271 349500805 /nfs/dbraw/zinc/50/08/05/349500805.db2.gz RFJIFYDDNDGHTP-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](C)[NH2+]C)C1 ZINC000062972824 349502910 /nfs/dbraw/zinc/50/29/10/349502910.db2.gz IOFRIXCZYURTFP-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973595 349503545 /nfs/dbraw/zinc/50/35/45/349503545.db2.gz KVJZQFDVRQZVMI-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000379591081 398155903 /nfs/dbraw/zinc/15/59/03/398155903.db2.gz WEWVHXPGWGHNSM-LLVKDONJSA-N 2 0 222.336 0.930 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422905782 398157261 /nfs/dbraw/zinc/15/72/61/398157261.db2.gz SSSUEBBAQWXLEM-ZGVCCVRISA-N 2 0 223.364 0.953 20 0 BCADRP [NH3+]C[C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000238034073 398157452 /nfs/dbraw/zinc/15/74/52/398157452.db2.gz AFDSNTHGKAXDGQ-CHWSQXEVSA-N 2 0 247.342 0.597 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000649341576 398158143 /nfs/dbraw/zinc/15/81/43/398158143.db2.gz INNNRDHAYAPGRS-WDEREUQCSA-N 2 0 239.363 0.442 20 0 BCADRP CN(CC1CC[NH+](C)CC1)C(=O)C(C)(C)C[NH3+] ZINC000063121279 349505883 /nfs/dbraw/zinc/50/58/83/349505883.db2.gz BIFKOYGTACKROA-UHFFFAOYSA-N 2 0 241.379 0.772 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000649355332 398169017 /nfs/dbraw/zinc/16/90/17/398169017.db2.gz HCEKUXPUVDGPFG-KXUCPTDWSA-N 2 0 213.325 0.132 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(CO)CCOCC2)C1 ZINC000563426298 398170744 /nfs/dbraw/zinc/17/07/44/398170744.db2.gz RTMFUZLECVXXPJ-RYUDHWBXSA-N 2 0 242.363 0.635 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(CO)CCOCC2)C1 ZINC000563426296 398170861 /nfs/dbraw/zinc/17/08/61/398170861.db2.gz RTMFUZLECVXXPJ-NEPJUHHUSA-N 2 0 242.363 0.635 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)[NH+](C)C ZINC000649359284 398171759 /nfs/dbraw/zinc/17/17/59/398171759.db2.gz SJVXRHAFAQNMIK-GARJFASQSA-N 2 0 225.336 0.147 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)[NH+](C)C ZINC000649359282 398171958 /nfs/dbraw/zinc/17/19/58/398171958.db2.gz SJVXRHAFAQNMIK-AXFHLTTASA-N 2 0 225.336 0.147 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000649359824 398171970 /nfs/dbraw/zinc/17/19/70/398171970.db2.gz FAJWCQKTFYAXFR-LPEHRKFASA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H](C(=O)N1CCC2(CC[NH2+]2)CC1)[NH+](C)C ZINC000649369280 398178978 /nfs/dbraw/zinc/17/89/78/398178978.db2.gz GIUQRFFIBDRYQT-JTQLQIEISA-N 2 0 225.336 0.291 20 0 BCADRP CC(C)([NH3+])C[N@@H+]1CCC[C@H](CCO)C1 ZINC000379992859 398179721 /nfs/dbraw/zinc/17/97/21/398179721.db2.gz YNYRYCCOLBHCBW-SNVBAGLBSA-N 2 0 200.326 0.818 20 0 BCADRP CC[C@H](C(=O)NC[C@@H](C)[NH+]1CCCC1)[NH+](C)C ZINC000533123760 398183928 /nfs/dbraw/zinc/18/39/28/398183928.db2.gz RIRGRGVVHTYHJH-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H](C(=O)NCc1ccc(C[NH3+])cc1)[NH+](C)C ZINC000649371437 398182219 /nfs/dbraw/zinc/18/22/19/398182219.db2.gz FWSXSJGNAPJORN-JTQLQIEISA-N 2 0 235.331 0.712 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000649348353 398161381 /nfs/dbraw/zinc/16/13/81/398161381.db2.gz IRJGTILJGFOWAD-JBLDHEPKSA-N 2 0 237.347 0.480 20 0 BCADRP COC(=O)C(C)(C)C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415096953 398161841 /nfs/dbraw/zinc/16/18/41/398161841.db2.gz CEHRPKQLLWBCMQ-LBPRGKRZSA-N 2 0 228.336 0.775 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CCc2cn[nH]c2)C1 ZINC000379779535 398166795 /nfs/dbraw/zinc/16/67/95/398166795.db2.gz FKCBAXGJEWWKPO-NSHDSACASA-N 2 0 208.309 0.494 20 0 BCADRP CCCC[N@H+](CC[C@H]1CC[NH2+]C1)CC(N)=O ZINC000396737557 398167301 /nfs/dbraw/zinc/16/73/01/398167301.db2.gz LVADBDQHJUJQDI-LLVKDONJSA-N 2 0 227.352 0.573 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)CCC(C)(C)[NH3+] ZINC000380151643 398185873 /nfs/dbraw/zinc/18/58/73/398185873.db2.gz XWIVOALERWZMMS-MRVPVSSYSA-N 2 0 201.314 0.215 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[N@H+](C)C1CC1 ZINC000576224802 365528384 /nfs/dbraw/zinc/52/83/84/365528384.db2.gz CPOXWYFGCPXWPC-UWVGGRQHSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000649371121 398184877 /nfs/dbraw/zinc/18/48/77/398184877.db2.gz MJLMINFMSQZBGK-GARJFASQSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000576254447 365540674 /nfs/dbraw/zinc/54/06/74/365540674.db2.gz BVYQVIPPKOLXSF-WYUUTHIRSA-N 2 0 237.347 0.337 20 0 BCADRP Cn1nncc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000394847959 398203870 /nfs/dbraw/zinc/20/38/70/398203870.db2.gz AWVXTBKJXDMCPH-SNVBAGLBSA-N 2 0 223.324 0.376 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000649414233 398213316 /nfs/dbraw/zinc/21/33/16/398213316.db2.gz NQJYTJYZDGWIKB-OLZOCXBDSA-N 2 0 225.380 0.870 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418362256 192028093 /nfs/dbraw/zinc/02/80/93/192028093.db2.gz HNWIREIEYBRUTE-VWYCJHECSA-N 2 0 240.351 0.036 20 0 BCADRP CC1([NH3+])CC[NH+](CCCN2CCOCC2)CC1 ZINC000649416235 398215945 /nfs/dbraw/zinc/21/59/45/398215945.db2.gz ZSCJMPKFAHIMKV-UHFFFAOYSA-N 2 0 241.379 0.522 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418362251 192028163 /nfs/dbraw/zinc/02/81/63/192028163.db2.gz HNWIREIEYBRUTE-GMTAPVOTSA-N 2 0 240.351 0.036 20 0 BCADRP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000386749277 398218949 /nfs/dbraw/zinc/21/89/49/398218949.db2.gz GCKOPAWOELZLIE-LBPRGKRZSA-N 2 0 222.336 0.781 20 0 BCADRP Cn1cc(C[C@@H]2CC[N@H+](CCC[NH3+])C2)cn1 ZINC000649414263 398212961 /nfs/dbraw/zinc/21/29/61/398212961.db2.gz OZLONYFVTRONBL-NSHDSACASA-N 2 0 222.336 0.633 20 0 BCADRP Cn1cc(C[C@@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)cn1 ZINC000649414152 398212983 /nfs/dbraw/zinc/21/29/83/398212983.db2.gz JKISRRYTHTXFHG-STQMWFEESA-N 2 0 248.374 0.894 20 0 BCADRP Cn1cc(C[C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cn1 ZINC000649414151 398213264 /nfs/dbraw/zinc/21/32/64/398213264.db2.gz JKISRRYTHTXFHG-QWHCGFSZSA-N 2 0 248.374 0.894 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000576411362 365589909 /nfs/dbraw/zinc/58/99/09/365589909.db2.gz DVGOOVIVNVHUHG-RYUDHWBXSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000418365735 192028741 /nfs/dbraw/zinc/02/87/41/192028741.db2.gz FEUXMUOICBOFGZ-HBNTYKKESA-N 2 0 242.367 0.234 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418369552 192029189 /nfs/dbraw/zinc/02/91/89/192029189.db2.gz NPLNSDADSFMPMV-SNVBAGLBSA-N 2 0 242.367 0.378 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000418374338 192029962 /nfs/dbraw/zinc/02/99/62/192029962.db2.gz SFQWEFZEGPWFFE-VWYCJHECSA-N 2 0 240.351 0.308 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000418380209 192030442 /nfs/dbraw/zinc/03/04/42/192030442.db2.gz JWLNTVMSTMYKAA-MNOVXSKESA-N 2 0 240.351 0.180 20 0 BCADRP C[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000418383489 192030978 /nfs/dbraw/zinc/03/09/78/192030978.db2.gz NLVMWNVUOKANPH-OUAUKWLOSA-N 2 0 240.351 0.117 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418383879 192031022 /nfs/dbraw/zinc/03/10/22/192031022.db2.gz OGZXONGRCXUSIQ-GHMZBOCLSA-N 2 0 242.367 0.555 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418385196 192031318 /nfs/dbraw/zinc/03/13/18/192031318.db2.gz PXZTWFFTJJVJCT-OUAUKWLOSA-N 2 0 240.351 0.036 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000418387813 192031669 /nfs/dbraw/zinc/03/16/69/192031669.db2.gz MWBYMBIMIAPZTG-MNOVXSKESA-N 2 0 244.383 0.659 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418395118 192032135 /nfs/dbraw/zinc/03/21/35/192032135.db2.gz GZNMNMGQDOLGGJ-FBIMIBRVSA-N 2 0 240.351 0.021 20 0 BCADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647986634 398228419 /nfs/dbraw/zinc/22/84/19/398228419.db2.gz WJMKPSKUQBKSMF-IHRRRGAJSA-N 3 0 237.391 0.917 20 0 BCADRP C[C@](C[NH3+])([NH2+]CCn1cccn1)C1CC1 ZINC000430569144 398228961 /nfs/dbraw/zinc/22/89/61/398228961.db2.gz DRABRNMMLHZPPN-LLVKDONJSA-N 2 0 208.309 0.600 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418396165 192032740 /nfs/dbraw/zinc/03/27/40/192032740.db2.gz ZIBAHBSRSZTFGM-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334184153 136223902 /nfs/dbraw/zinc/22/39/02/136223902.db2.gz FWXIDJDSZWLUBZ-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]C[C@H](NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000418408976 192034210 /nfs/dbraw/zinc/03/42/10/192034210.db2.gz VBRVTOQZQVFGOW-VWYCJHECSA-N 2 0 240.351 0.293 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NCC(C)(C)[NH3+] ZINC000418413009 192034272 /nfs/dbraw/zinc/03/42/72/192034272.db2.gz ISYRRINYIVLVOX-MRVPVSSYSA-N 2 0 216.329 0.021 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NCC(C)(C)[NH3+] ZINC000418411003 192034290 /nfs/dbraw/zinc/03/42/90/192034290.db2.gz DLPCLIIKIIWNBI-UHFFFAOYSA-N 2 0 230.356 0.540 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NC[C@H]([NH3+])C(C)C ZINC000418412174 192034379 /nfs/dbraw/zinc/03/43/79/192034379.db2.gz QZDLBDAWRLYWIP-JTQLQIEISA-N 2 0 244.383 0.786 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000647987552 398230826 /nfs/dbraw/zinc/23/08/26/398230826.db2.gz CJUMHCARBUOKHG-SDDRHHMPSA-N 2 0 209.337 0.280 20 0 BCADRP C[C@H](CNC(=O)C[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000430759978 398230873 /nfs/dbraw/zinc/23/08/73/398230873.db2.gz HTTZKBDUMIKJRV-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)([NH3+])CNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418416305 192035163 /nfs/dbraw/zinc/03/51/63/192035163.db2.gz QCRBZZOWQBPXPS-SNVBAGLBSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@@H](CNC(=O)CC[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000430764795 398231382 /nfs/dbraw/zinc/23/13/82/398231382.db2.gz TWULJYSJZVTCOI-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000418403754 192033398 /nfs/dbraw/zinc/03/33/98/192033398.db2.gz JUTCLUDAQXNWAF-OUAUKWLOSA-N 2 0 242.367 0.362 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418440186 192035845 /nfs/dbraw/zinc/03/58/45/192035845.db2.gz GWZOESAJMYQALS-OPRDCNLKSA-N 2 0 230.356 0.539 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000418437734 192035931 /nfs/dbraw/zinc/03/59/31/192035931.db2.gz IGRLBBYYZCBIKI-NSHDSACASA-N 2 0 244.383 0.659 20 0 BCADRP CC(C)([NH3+])CNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418418216 192035369 /nfs/dbraw/zinc/03/53/69/192035369.db2.gz WMHICYYUTJLWGG-GFCCVEGCSA-N 2 0 242.367 0.413 20 0 BCADRP CCC[NH2+]CCNC(=O)NCC([NH3+])(CC)CC ZINC000418440063 192035595 /nfs/dbraw/zinc/03/55/95/192035595.db2.gz OUYXUZRSKKWMPV-UHFFFAOYSA-N 2 0 244.383 0.803 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N(C)CC[NH2+]C ZINC000418437482 192035724 /nfs/dbraw/zinc/03/57/24/192035724.db2.gz CYZNZPWLZGZWCN-SNVBAGLBSA-N 2 0 230.356 0.365 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC(C)(C)C[NH3+] ZINC000418447041 192036341 /nfs/dbraw/zinc/03/63/41/192036341.db2.gz QAJJEGIIELVILC-VIFPVBQESA-N 2 0 230.356 0.396 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418445795 192036823 /nfs/dbraw/zinc/03/68/23/192036823.db2.gz YHAHLIMVOWVELQ-JTQLQIEISA-N 2 0 242.367 0.540 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167529780 488175678 /nfs/dbraw/zinc/17/56/78/488175678.db2.gz XFFAZMUCYDEWBM-QJPTWQEYSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H](NC(=O)[C@H](C)[NH2+]C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000576463482 365602302 /nfs/dbraw/zinc/60/23/02/365602302.db2.gz SBVYTCNIRLKRCC-OUAUKWLOSA-N 2 0 239.363 0.631 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000381266389 398242201 /nfs/dbraw/zinc/24/22/01/398242201.db2.gz UGACKZJWHLSCOT-IVZWLZJFSA-N 2 0 213.325 0.165 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C)[C@@H](C)[C@H]1C ZINC000576475415 365605989 /nfs/dbraw/zinc/60/59/89/365605989.db2.gz CXDOKPIRPDBRGQ-XQQFMLRXSA-N 2 0 243.395 0.323 20 0 BCADRP C[C@H]([NH3+])[C@H](C)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000381251912 398244442 /nfs/dbraw/zinc/24/44/42/398244442.db2.gz PSQHLUJXVDLKJE-FXQIFTODSA-N 2 0 210.281 0.945 20 0 BCADRP C[C@@H]1CN(C(=O)C2([NH3+])CCC2)CC[C@@H]1[NH3+] ZINC000576517009 365615111 /nfs/dbraw/zinc/61/51/11/365615111.db2.gz RSSQNYMRIHLHCJ-BDAKNGLRSA-N 2 0 211.309 0.064 20 0 BCADRP C[C@@]1(C(=O)NCc2ccc(C[NH3+])cc2)CCC[NH2+]1 ZINC000576518868 365615851 /nfs/dbraw/zinc/61/58/51/365615851.db2.gz BTQGQWXUEKYZTH-AWEZNQCLSA-N 2 0 247.342 0.904 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C[NH2+]1 ZINC000576581352 365630087 /nfs/dbraw/zinc/63/00/87/365630087.db2.gz FFLKASRVZNITGV-QCNOEVLYSA-N 2 0 239.363 0.583 20 0 BCADRP C[NH+](C)CCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418432353 192037560 /nfs/dbraw/zinc/03/75/60/192037560.db2.gz UFNJHTUDHDCPRH-GHMZBOCLSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000418461957 192037834 /nfs/dbraw/zinc/03/78/34/192037834.db2.gz AXQTWYRMVKPSKG-JTQLQIEISA-N 2 0 242.367 0.317 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)NC[C@H](C)C[NH3+] ZINC000418465682 192037966 /nfs/dbraw/zinc/03/79/66/192037966.db2.gz GKUIPOZRWGAGCA-LLVKDONJSA-N 2 0 244.383 0.564 20 0 BCADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000381278000 398249536 /nfs/dbraw/zinc/24/95/36/398249536.db2.gz XKARINXHBGLUFQ-VXGBXAGGSA-N 2 0 211.353 0.657 20 0 BCADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000381277994 398249935 /nfs/dbraw/zinc/24/99/35/398249935.db2.gz XKARINXHBGLUFQ-NEPJUHHUSA-N 2 0 211.353 0.657 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000381348302 398254006 /nfs/dbraw/zinc/25/40/06/398254006.db2.gz ZTJHCJWWLPLFCQ-PSASIEDQSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C[C@@H]1CC[NH2+]C1 ZINC000381472865 398253617 /nfs/dbraw/zinc/25/36/17/398253617.db2.gz PGLOSWZULNHAKX-QJPTWQEYSA-N 2 0 211.353 0.798 20 0 BCADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000381410662 398253761 /nfs/dbraw/zinc/25/37/61/398253761.db2.gz UIPJFKRIAUBZTC-VXGBXAGGSA-N 2 0 210.321 0.708 20 0 BCADRP [NH3+]CCC[NH+]1CCC(n2ccnc2)CC1 ZINC000565046542 323006027 /nfs/dbraw/zinc/00/60/27/323006027.db2.gz MGMYTADLQULMNQ-UHFFFAOYSA-N 2 0 208.309 0.869 20 0 BCADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000381410291 398256482 /nfs/dbraw/zinc/25/64/82/398256482.db2.gz UIPJFKRIAUBZTC-NEPJUHHUSA-N 2 0 210.321 0.708 20 0 BCADRP CC[C@H]1CN(C(=O)CCC[NH3+])CC[C@H]1[NH3+] ZINC000381494412 398257460 /nfs/dbraw/zinc/25/74/60/398257460.db2.gz ZOXSZIVZOHGLEM-VHSXEESVSA-N 2 0 213.325 0.311 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000576700319 365661753 /nfs/dbraw/zinc/66/17/53/365661753.db2.gz GOHSNVHMERWDED-SNVBAGLBSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000381452638 398258092 /nfs/dbraw/zinc/25/80/92/398258092.db2.gz HZSQWSXSUQKXQX-GUBZILKMSA-N 2 0 213.325 0.500 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000381452641 398258183 /nfs/dbraw/zinc/25/81/83/398258183.db2.gz HZSQWSXSUQKXQX-LPEHRKFASA-N 2 0 213.325 0.500 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000576705146 365664565 /nfs/dbraw/zinc/66/45/65/365664565.db2.gz RWWVGVVQIZCLHO-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@](CN)([NH2+]CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000576756045 365678456 /nfs/dbraw/zinc/67/84/56/365678456.db2.gz AUHHCKCWYSGCET-ZYHUDNBSSA-N 2 0 211.353 0.703 20 0 BCADRP COCC[C@@H](COC)[NH2+]Cc1cnc(C)n1C ZINC000576768455 365672540 /nfs/dbraw/zinc/67/25/40/365672540.db2.gz TVODJGHXOWXBSH-NSHDSACASA-N 2 0 241.335 0.870 20 0 BCADRP CC(C)([NH3+])CCC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000381540923 398262747 /nfs/dbraw/zinc/26/27/47/398262747.db2.gz IPEDTEXFAVBJSF-VIFPVBQESA-N 2 0 213.325 0.372 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000576769442 365682112 /nfs/dbraw/zinc/68/21/12/365682112.db2.gz RGYAJKCSTHBFSA-LLVKDONJSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[NH2+]CCC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000381582174 398264594 /nfs/dbraw/zinc/26/45/94/398264594.db2.gz FVOJXLMCFKNCSM-SNVBAGLBSA-N 2 0 213.325 0.195 20 0 BCADRP CCC[NH2+]CCNC(=O)NC(C)(C)C[NH3+] ZINC000418476921 192039932 /nfs/dbraw/zinc/03/99/32/192039932.db2.gz BAQONOVGWWERBZ-UHFFFAOYSA-N 2 0 216.329 0.023 20 0 BCADRP CC1([NH3+])CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000381663367 398269145 /nfs/dbraw/zinc/26/91/45/398269145.db2.gz GKGNVNCBPBZUGH-UHFFFAOYSA-N 3 0 211.353 0.799 20 0 BCADRP CC1([NH3+])CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000381713743 398270710 /nfs/dbraw/zinc/27/07/10/398270710.db2.gz KRZXGTORCSDKRR-LLVKDONJSA-N 2 0 211.353 0.799 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000381761874 346837821 /nfs/dbraw/zinc/83/78/21/346837821.db2.gz UDPFFTHONZYBJF-QJPTWQEYSA-N 2 0 230.352 0.314 20 0 BCADRP C[C@H](CO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000035602118 538957144 /nfs/dbraw/zinc/95/71/44/538957144.db2.gz HPUKCTQXSLQZMR-ZJUUUORDSA-N 2 0 200.326 0.687 20 0 BCADRP C[C@@H]([NH3+])CC(=O)Nc1cccc(C[NH3+])c1 ZINC000381790643 398271973 /nfs/dbraw/zinc/27/19/73/398271973.db2.gz ZUNZYUDPPXUAOM-MRVPVSSYSA-N 2 0 207.277 0.821 20 0 BCADRP CCOCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380206756 346852882 /nfs/dbraw/zinc/85/28/82/346852882.db2.gz WVMGLKNSJKCCNR-TXEJJXNPSA-N 2 0 212.337 0.954 20 0 BCADRP C[NH+](C)CC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000335436814 136235058 /nfs/dbraw/zinc/23/50/58/136235058.db2.gz ZKPVSBBHFHETSK-UHFFFAOYSA-N 2 0 225.336 0.150 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418486252 192041100 /nfs/dbraw/zinc/04/11/00/192041100.db2.gz IDTVPZFBYPKPBI-KOLCDFICSA-N 2 0 242.367 0.398 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC000166226063 361848731 /nfs/dbraw/zinc/84/87/31/361848731.db2.gz NZJUTHNVLPWVTP-KOLCDFICSA-N 2 0 208.309 0.589 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634740878 398278258 /nfs/dbraw/zinc/27/82/58/398278258.db2.gz LKKCLXRLOWLNNA-RTXFEEFZSA-N 2 0 239.363 0.442 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418491932 192041844 /nfs/dbraw/zinc/04/18/44/192041844.db2.gz TUZIFBHSGRDVEE-QWRGUYRKSA-N 2 0 242.367 0.283 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000131905613 342698896 /nfs/dbraw/zinc/69/88/96/342698896.db2.gz HMVGDKSVGVVNDK-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000418496038 192042321 /nfs/dbraw/zinc/04/23/21/192042321.db2.gz VBSNNFXWMXZUPS-MXWKQRLJSA-N 2 0 242.367 0.493 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602593250 349615547 /nfs/dbraw/zinc/61/55/47/349615547.db2.gz WCNFYOUFQATFBS-AEJSXWLSSA-N 2 0 243.376 0.030 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000605331991 342753052 /nfs/dbraw/zinc/75/30/52/342753052.db2.gz WPPWSHBSKIJTDQ-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)C1CC(NC(=O)C2([NH+](C)C)CC2)C1 ZINC000629989890 361876168 /nfs/dbraw/zinc/87/61/68/361876168.db2.gz DVVWYXZLRRSFEQ-UHFFFAOYSA-N 2 0 225.336 0.289 20 0 BCADRP C[C@@]1(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CCC[NH2+]1 ZINC000580293499 346861006 /nfs/dbraw/zinc/86/10/06/346861006.db2.gz UHQGSSMXBSDLQE-STQMWFEESA-N 2 0 239.363 0.634 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000418450309 192042864 /nfs/dbraw/zinc/04/28/64/192042864.db2.gz TWJNSGCHIWHFDN-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000418448920 192042933 /nfs/dbraw/zinc/04/29/33/192042933.db2.gz RKYNJAZHPQYRSH-GHMZBOCLSA-N 2 0 242.367 0.637 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H](C)CCC[NH3+] ZINC000418450048 192043026 /nfs/dbraw/zinc/04/30/26/192043026.db2.gz UFKSUVUAECYENB-MNOVXSKESA-N 2 0 244.383 0.786 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000309644431 342775227 /nfs/dbraw/zinc/77/52/27/342775227.db2.gz PUDXMFBSAYTWTL-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)CCCC[NH3+] ZINC000381734808 398286697 /nfs/dbraw/zinc/28/66/97/398286697.db2.gz OCTJGYHTLRCYSL-JTQLQIEISA-N 2 0 215.341 0.749 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)NCC1([NH3+])CCC1 ZINC000418505734 192044715 /nfs/dbraw/zinc/04/47/15/192044715.db2.gz DOTQMRVMMSDYPK-JTQLQIEISA-N 2 0 242.367 0.685 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[NH+]2CCC1CC2 ZINC000335464289 398288975 /nfs/dbraw/zinc/28/89/75/398288975.db2.gz ORMPMWGYDIBISR-JTQLQIEISA-N 2 0 225.336 0.420 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000217587784 536595190 /nfs/dbraw/zinc/59/51/90/536595190.db2.gz NODBHKITHMWSQE-VXGBXAGGSA-N 2 0 243.395 0.813 20 0 BCADRP CC1(C)CN(C(=O)C2([NH3+])CCC2)CC[NH2+]1 ZINC000335621950 136239865 /nfs/dbraw/zinc/23/98/65/136239865.db2.gz CRNQUJWXUYZNLM-UHFFFAOYSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335621940 136240043 /nfs/dbraw/zinc/24/00/43/136240043.db2.gz CMNGCOSXDYTLKJ-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+]CCCCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418517074 192046297 /nfs/dbraw/zinc/04/62/97/192046297.db2.gz YQZJAOZXSHKEPP-NSHDSACASA-N 2 0 242.367 0.542 20 0 BCADRP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H](C)CC[NH3+] ZINC000418514959 192046402 /nfs/dbraw/zinc/04/64/02/192046402.db2.gz BEOBPECIJVJOJY-NSHDSACASA-N 2 0 244.383 0.705 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000417818957 398293901 /nfs/dbraw/zinc/29/39/01/398293901.db2.gz SVFFNOUXJSZLLJ-GHMZBOCLSA-N 2 0 227.352 0.490 20 0 BCADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CSC2)CC1 ZINC000381502553 539002217 /nfs/dbraw/zinc/00/22/17/539002217.db2.gz PFMYIBVBXRTFQC-UHFFFAOYSA-N 2 0 244.404 0.927 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000418527099 192047708 /nfs/dbraw/zinc/04/77/08/192047708.db2.gz NPBGJOQCVFKQFX-IVZWLZJFSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@@H]1C[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000390618672 539026635 /nfs/dbraw/zinc/02/66/35/539026635.db2.gz HRVZOCJCULIFPX-XQHKEYJVSA-N 2 0 224.348 0.953 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])[C@H](C)CC)C1 ZINC000389568955 539016771 /nfs/dbraw/zinc/01/67/71/539016771.db2.gz AGSMDHWRIWUOCL-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000583993335 342853438 /nfs/dbraw/zinc/85/34/38/342853438.db2.gz SKHMRSMCUTWNPB-NOOOWODRSA-N 2 0 239.363 0.489 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000583993333 342853481 /nfs/dbraw/zinc/85/34/81/342853481.db2.gz SKHMRSMCUTWNPB-BJDJZHNGSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000418550946 192049932 /nfs/dbraw/zinc/04/99/32/192049932.db2.gz ARVRMNNLUGNMAA-MXWKQRLJSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000309775162 342894633 /nfs/dbraw/zinc/89/46/33/342894633.db2.gz LMYWJEVHMOSVDP-LPEHRKFASA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000418558018 192050094 /nfs/dbraw/zinc/05/00/94/192050094.db2.gz BJGCKBYZEOPWGL-JTQLQIEISA-N 2 0 240.351 0.213 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418555781 192050216 /nfs/dbraw/zinc/05/02/16/192050216.db2.gz DULAWZQGGHTKOS-KXUCPTDWSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418553386 192050269 /nfs/dbraw/zinc/05/02/69/192050269.db2.gz CNPVGCMJBDDSSU-XWLWVQCSSA-N 2 0 240.351 0.116 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H]3CCN(C4CC4)C3=O)C[C@H]12 ZINC000351474771 136245982 /nfs/dbraw/zinc/24/59/82/136245982.db2.gz GRZDOUNXLITWFK-MGAJPHDKSA-N 2 0 249.358 0.419 20 0 BCADRP CC[NH+](CC)CCSCC(=O)NCC[NH3+] ZINC000236895176 398323086 /nfs/dbraw/zinc/32/30/86/398323086.db2.gz RBLKZSNRVIROPN-UHFFFAOYSA-N 2 0 233.381 0.136 20 0 BCADRP CC[C@@H](C)[NH+]1CCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000418565776 192051470 /nfs/dbraw/zinc/05/14/70/192051470.db2.gz LYEKRCWUOKFDJU-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418579569 192053044 /nfs/dbraw/zinc/05/30/44/192053044.db2.gz RMXZNSYQLIHHFV-AATLWQCWSA-N 2 0 228.340 0.019 20 0 BCADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H](C)C[NH3+])cc1 ZINC000580304114 346879444 /nfs/dbraw/zinc/87/94/44/346879444.db2.gz XLTPJKKLDNBBKG-NXEZZACHSA-N 2 0 235.331 0.917 20 0 BCADRP C[C@H](Cn1ccnc1)NC(=O)C[C@H](C)[NH3+] ZINC000037476464 398327953 /nfs/dbraw/zinc/32/79/53/398327953.db2.gz LOGDWRXFBPRCRL-DTWKUNHWSA-N 2 0 210.281 0.125 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037485371 398329073 /nfs/dbraw/zinc/32/90/73/398329073.db2.gz FXZBNNDWKTWROK-UWVGGRQHSA-N 2 0 225.336 0.324 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]([NH3+])CC ZINC000418600987 192054547 /nfs/dbraw/zinc/05/45/47/192054547.db2.gz KNRMWEJHWYMWGU-BDAKNGLRSA-N 2 0 216.329 0.021 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000037467395 342932739 /nfs/dbraw/zinc/93/27/39/342932739.db2.gz GUGNKZHJQDNGFY-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449558820 398337868 /nfs/dbraw/zinc/33/78/68/398337868.db2.gz WYFLKVDRVPCJQY-XQHKEYJVSA-N 2 0 245.326 0.329 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418595773 192055178 /nfs/dbraw/zinc/05/51/78/192055178.db2.gz XGIINKHWZLQRSF-MMWGEVLESA-N 2 0 240.351 0.387 20 0 BCADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCNC(=O)C2)CC1 ZINC000392772382 398335202 /nfs/dbraw/zinc/33/52/02/398335202.db2.gz DNNBUZDEIBSYCU-LBPRGKRZSA-N 2 0 237.347 0.507 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418607053 192055938 /nfs/dbraw/zinc/05/59/38/192055938.db2.gz ZZBOVEUQDRGJFL-QWRGUYRKSA-N 2 0 242.367 0.540 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000648202585 398344617 /nfs/dbraw/zinc/34/46/17/398344617.db2.gz XPCRDDAQPYPBRK-MNOVXSKESA-N 2 0 219.288 0.109 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000418607958 192056111 /nfs/dbraw/zinc/05/61/11/192056111.db2.gz YIXYTEDKLNIWHN-GHMZBOCLSA-N 2 0 242.367 0.378 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351769725 136253184 /nfs/dbraw/zinc/25/31/84/136253184.db2.gz LFMOBWAIINOQMC-ZDCRXTMVSA-N 2 0 227.352 0.556 20 0 BCADRP COCCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C)C1 ZINC000328209145 346901460 /nfs/dbraw/zinc/90/14/60/346901460.db2.gz UWOJPIRGKSZGJU-OLZOCXBDSA-N 2 0 241.379 0.391 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH3+])C1 ZINC000040503538 346903357 /nfs/dbraw/zinc/90/33/57/346903357.db2.gz AYRGNSTVFUUNST-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H](C)C[NH3+] ZINC000418620700 192057424 /nfs/dbraw/zinc/05/74/24/192057424.db2.gz RARXGNCHDJUCBV-NSHDSACASA-N 2 0 244.383 0.563 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H](C)[NH3+] ZINC000037825167 342985822 /nfs/dbraw/zinc/98/58/22/342985822.db2.gz PADJOYSUNHACQC-SNVBAGLBSA-N 2 0 215.341 0.380 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044808424 343008115 /nfs/dbraw/zinc/00/81/15/343008115.db2.gz NRELEFTYOFIPFP-UWVGGRQHSA-N 2 0 213.325 0.039 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050457289 343021828 /nfs/dbraw/zinc/02/18/28/343021828.db2.gz RLDMBXOVLPUFLO-BDAKNGLRSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050464954 343022684 /nfs/dbraw/zinc/02/26/84/343022684.db2.gz MJDKMTNFULFFGH-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000118975565 343064484 /nfs/dbraw/zinc/06/44/84/343064484.db2.gz FAETYJKDCBNOMF-ZYHUDNBSSA-N 2 0 225.336 0.339 20 0 BCADRP CC1([NH3+])CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000655457350 488198294 /nfs/dbraw/zinc/19/82/94/488198294.db2.gz RSPQMUYYCHJTEA-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000082475135 362024860 /nfs/dbraw/zinc/02/48/60/362024860.db2.gz WQLDQTRPUZENCJ-SNVBAGLBSA-N 2 0 227.352 0.524 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000449471669 259349221 /nfs/dbraw/zinc/34/92/21/259349221.db2.gz DBABZUBKGDLVSS-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)C[NH2+]C1CC1 ZINC000236661728 343106129 /nfs/dbraw/zinc/10/61/29/343106129.db2.gz HVFWFKQHDVIRGY-UHFFFAOYSA-N 2 0 213.325 0.243 20 0 BCADRP C[NH+](C)C[C@H]1CCCCN1C(=O)C[NH2+]C1CC1 ZINC000237035776 343121326 /nfs/dbraw/zinc/12/13/26/343121326.db2.gz SJFPFTIEGZDATF-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)OC[C@@H](O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049557238 343111689 /nfs/dbraw/zinc/11/16/89/343111689.db2.gz DNIGWLKMECXLKM-NEPJUHHUSA-N 2 0 232.368 0.702 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NC[C@H](C)C[NH2+]C ZINC000236872733 343112875 /nfs/dbraw/zinc/11/28/75/343112875.db2.gz IIAQBNZFNSOVCI-BDAKNGLRSA-N 2 0 201.314 0.086 20 0 BCADRP CC[N@H+](CCNC(=O)C[NH2+]C1CC1)C(C)C ZINC000236858241 343113796 /nfs/dbraw/zinc/11/37/96/343113796.db2.gz MITAYPMXHGMUIX-UHFFFAOYSA-N 2 0 227.352 0.585 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000236954201 343116183 /nfs/dbraw/zinc/11/61/83/343116183.db2.gz UVLQEEXDMCPLPC-ZDUSSCGKSA-N 2 0 247.342 0.599 20 0 BCADRP C[C@H](CC(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000237541319 343147867 /nfs/dbraw/zinc/14/78/67/343147867.db2.gz KLFTYWYAYAKFCW-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000092950487 343148572 /nfs/dbraw/zinc/14/85/72/343148572.db2.gz FVFCUTADTXIIIY-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CCCC(=O)NC1(C[NH3+])CCCC1 ZINC000237151221 343126839 /nfs/dbraw/zinc/12/68/39/343126839.db2.gz KGQZSXBPBFYTEN-UHFFFAOYSA-N 2 0 213.325 0.374 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000237171803 343128209 /nfs/dbraw/zinc/12/82/09/343128209.db2.gz NYMIKNLXMFZXJL-GFCCVEGCSA-N 2 0 235.331 0.802 20 0 BCADRP C[NH2+]CC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000237236722 343130910 /nfs/dbraw/zinc/13/09/10/343130910.db2.gz YFXWMGKXMFYKTM-JTQLQIEISA-N 2 0 207.277 0.022 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000092956243 343149768 /nfs/dbraw/zinc/14/97/68/343149768.db2.gz HTCKKOVSIDOEPS-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000390186174 259352833 /nfs/dbraw/zinc/35/28/33/259352833.db2.gz LSUAJISLKZPTEU-PSASIEDQSA-N 2 0 207.277 0.150 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000092957455 343150648 /nfs/dbraw/zinc/15/06/48/343150648.db2.gz DCSYDWVBKSIEFD-SRVKXCTJSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH3+])CN1C1CC1 ZINC000229934465 136273850 /nfs/dbraw/zinc/27/38/50/136273850.db2.gz BUFJRTIURZXREK-MNOVXSKESA-N 2 0 211.353 0.940 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1CC(=O)NC1CCCC1 ZINC000124585969 343163480 /nfs/dbraw/zinc/16/34/80/343163480.db2.gz ZYAIFNHCVWWOKP-WDEREUQCSA-N 2 0 239.363 0.857 20 0 BCADRP Cn1ccc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC000123803614 343165778 /nfs/dbraw/zinc/16/57/78/343165778.db2.gz GUOVVPXFPUKUQM-UHFFFAOYSA-N 2 0 208.309 0.591 20 0 BCADRP C[C@@]1(C(=O)N2CCC[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000237483991 136272281 /nfs/dbraw/zinc/27/22/81/136272281.db2.gz GVCBIEDHQZIZRK-WCQYABFASA-N 2 0 239.363 0.573 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000126465986 343170207 /nfs/dbraw/zinc/17/02/07/343170207.db2.gz YJWSOEKJMZMPQH-WOPDTQHZSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N(C)CC[NH+]1CCCC1 ZINC000418690604 192060889 /nfs/dbraw/zinc/06/08/89/192060889.db2.gz CXPIMZZWKVLGPS-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000129080712 343176020 /nfs/dbraw/zinc/17/60/20/343176020.db2.gz XPYQBTPMGIMFMN-UTUOFQBUSA-N 2 0 239.363 0.666 20 0 BCADRP CCC[NH+]1CCC(NC(=O)C2([NH3+])CCC2)CC1 ZINC000148103667 343196090 /nfs/dbraw/zinc/19/60/90/343196090.db2.gz OJNLCAXISZXNKZ-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP C[NH+]1CCC(CCNC(=O)C[NH2+]C2CC2)CC1 ZINC000154638369 343198354 /nfs/dbraw/zinc/19/83/54/343198354.db2.gz YHXICUUSNANOJH-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]C1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000147785423 343198440 /nfs/dbraw/zinc/19/84/40/343198440.db2.gz DZMGHHLHIJSWNB-JTQLQIEISA-N 2 0 237.347 0.468 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000156914177 343199442 /nfs/dbraw/zinc/19/94/42/343199442.db2.gz FMKWZMPEXCUCTD-GHMZBOCLSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C[NH2+]C2CC2)CC[N@@H+]1C ZINC000157886023 343200463 /nfs/dbraw/zinc/20/04/63/343200463.db2.gz JVQOTCXKYGWXKD-KOLCDFICSA-N 2 0 225.336 0.337 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000158919974 343201542 /nfs/dbraw/zinc/20/15/42/343201542.db2.gz WWXNJIOUJQTYPR-GHMZBOCLSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000158920190 343201583 /nfs/dbraw/zinc/20/15/83/343201583.db2.gz WWXNJIOUJQTYPR-MNOVXSKESA-N 2 0 241.379 0.959 20 0 BCADRP C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000161053071 343204285 /nfs/dbraw/zinc/20/42/85/343204285.db2.gz QNJKTHDAKKIXOG-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP [NH3+][C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000237820249 343213542 /nfs/dbraw/zinc/21/35/42/343213542.db2.gz MJWYVHWKDZCNHI-WCQYABFASA-N 2 0 247.342 0.802 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)CC2([NH3+])CC2)C1 ZINC000398068503 488206857 /nfs/dbraw/zinc/20/68/57/488206857.db2.gz DYJLPMCXWOBVKP-NSHDSACASA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@@H](C)C(=O)OC ZINC000087471991 136281406 /nfs/dbraw/zinc/28/14/06/136281406.db2.gz GTFHLPITAUNHMY-SECBINFHSA-N 2 0 202.298 0.337 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N(C)CCC[NH2+]C ZINC000087471660 136281554 /nfs/dbraw/zinc/28/15/54/136281554.db2.gz ZCDPHSRAEKMHGT-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP [NH3+][C@H](C(=O)NCC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000238016996 343238216 /nfs/dbraw/zinc/23/82/16/343238216.db2.gz MJWYVHWKDZCNHI-YPMHNXCESA-N 2 0 247.342 0.802 20 0 BCADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCO)CC[C@@H]21 ZINC000088091290 136284423 /nfs/dbraw/zinc/28/44/23/136284423.db2.gz QBVUDGSVTGYKIO-RYUDHWBXSA-N 2 0 212.337 0.785 20 0 BCADRP C[N@@H+](Cc1cccc2ncccc12)C[C@@H](O)C[NH3+] ZINC000634687864 343245037 /nfs/dbraw/zinc/24/50/37/343245037.db2.gz BLNHRKVNPZYALG-LBPRGKRZSA-N 2 0 245.326 0.986 20 0 BCADRP C([C@H]1CCC[NH2+]C1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688422 343246370 /nfs/dbraw/zinc/24/63/70/343246370.db2.gz RTDBMKXZFJLOEZ-SDDRHHMPSA-N 2 0 210.321 0.564 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000131935027 343256603 /nfs/dbraw/zinc/25/66/03/343256603.db2.gz FPKPZCBUZSLMKA-IJLUTSLNSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000131934790 343256702 /nfs/dbraw/zinc/25/67/02/343256702.db2.gz FPKPZCBUZSLMKA-UTUOFQBUSA-N 2 0 239.363 0.620 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000121194763 343265084 /nfs/dbraw/zinc/26/50/84/343265084.db2.gz IGGBFTFJUKIKGE-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000121333544 343265206 /nfs/dbraw/zinc/26/52/06/343265206.db2.gz HZBMMSYYVDRPJX-NEPJUHHUSA-N 2 0 241.379 0.738 20 0 BCADRP CC(C)[C@H](C)[N@H+](C)C[C@@H]1CNCCO1 ZINC000043802272 488209098 /nfs/dbraw/zinc/20/90/98/488209098.db2.gz BJNOBEZSNBBHPC-QWRGUYRKSA-N 2 0 200.326 0.951 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000121713889 343274034 /nfs/dbraw/zinc/27/40/34/343274034.db2.gz RNTNEBJGUVWHAP-CYBMUJFWSA-N 2 0 247.342 0.599 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@@H]1CCC[C@@H]1[NH3+] ZINC000340083593 136285977 /nfs/dbraw/zinc/28/59/77/136285977.db2.gz UTSIXSIKPSZILP-TUAOUCFPSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@@H](CO)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000036908626 343327599 /nfs/dbraw/zinc/32/75/99/343327599.db2.gz KDHJJDXICLPTGG-VPOLOUISSA-N 2 0 200.326 0.686 20 0 BCADRP Cc1nccn1CCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000348753826 136296654 /nfs/dbraw/zinc/29/66/54/136296654.db2.gz XXRDNPURIQQEBR-LBPRGKRZSA-N 2 0 222.336 0.862 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000069839432 343292449 /nfs/dbraw/zinc/29/24/49/343292449.db2.gz CJQUYKZSRQOZAG-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[NH2+]CC1(C)C)[C@H](C)[NH3+] ZINC000584047854 343306550 /nfs/dbraw/zinc/30/65/50/343306550.db2.gz JACIUFSIWATHGM-UTLUCORTSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](C)C[NH+](C)C ZINC000584051624 343306910 /nfs/dbraw/zinc/30/69/10/343306910.db2.gz ITJGETIMAZNMRN-AEJSXWLSSA-N 2 0 230.356 0.362 20 0 BCADRP CC1(C)CN(C(=O)C[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000335627914 136299606 /nfs/dbraw/zinc/29/96/06/136299606.db2.gz VXBAZIVIAVBQQU-JTQLQIEISA-N 2 0 225.336 0.339 20 0 BCADRP O=C([C@H]1CCCC[NH2+]1)N1CCC2(CC[NH2+]2)CC1 ZINC000335629752 136300086 /nfs/dbraw/zinc/30/00/86/136300086.db2.gz BSFVRXDGDRXDQQ-LLVKDONJSA-N 2 0 237.347 0.483 20 0 BCADRP C[C@@H](CNC(=O)[C@H]([NH3+])Cc1ccccc1)[NH+](C)C ZINC000038089224 343370320 /nfs/dbraw/zinc/37/03/20/343370320.db2.gz LCGLZGUTFIYPSW-WCQYABFASA-N 2 0 249.358 0.623 20 0 BCADRP C[C@H]1CCNC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335639386 136303504 /nfs/dbraw/zinc/30/35/04/136303504.db2.gz UGPMGKAXPUJJEO-JQWIXIFHSA-N 2 0 211.353 0.574 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C2(C)C[NH2+]C2)CC[N@@H+]1C ZINC000335648362 136304315 /nfs/dbraw/zinc/30/43/15/136304315.db2.gz GDNFYBRURYNSIX-ZJUUUORDSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[NH2+]C ZINC000357242870 343350256 /nfs/dbraw/zinc/35/02/56/343350256.db2.gz NLFSPSZVHJZJBM-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CN1CC[C@@H]([NH+]2CCC(C[NH+](C)C)CC2)C1=O ZINC000335673272 136317167 /nfs/dbraw/zinc/31/71/67/136317167.db2.gz ANNULXYPXPLNJF-GFCCVEGCSA-N 2 0 239.363 0.491 20 0 BCADRP CN1CC[C@H]([NH+]2CCC(C[NH+](C)C)CC2)C1=O ZINC000335673273 136317230 /nfs/dbraw/zinc/31/72/30/136317230.db2.gz ANNULXYPXPLNJF-LBPRGKRZSA-N 2 0 239.363 0.491 20 0 BCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH3+])C1 ZINC000335657950 136306984 /nfs/dbraw/zinc/30/69/84/136306984.db2.gz PRIQPZFNDXQOKK-RYUDHWBXSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@@H]1CCN(C(=O)C(C)(C)[NH3+])C[C@@H]1C[NH3+] ZINC000335659227 136307158 /nfs/dbraw/zinc/30/71/58/136307158.db2.gz ZPBCBSUDAOQPSI-BDAKNGLRSA-N 2 0 213.325 0.167 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000335658449 136307177 /nfs/dbraw/zinc/30/71/77/136307177.db2.gz UKHGOPARTTVFKY-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]1CCN(C(=O)C(C)(C)[NH3+])C[C@@H]1C[NH3+] ZINC000335659231 136307542 /nfs/dbraw/zinc/30/75/42/136307542.db2.gz ZPBCBSUDAOQPSI-IUCAKERBSA-N 2 0 213.325 0.167 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc(C[NH3+])o1 ZINC000335662812 136315524 /nfs/dbraw/zinc/31/55/24/136315524.db2.gz LPKOSECNAWWQTI-JTQLQIEISA-N 2 0 237.303 0.609 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)N2CCN(C3CC3)CC2)C1 ZINC000335665413 136316532 /nfs/dbraw/zinc/31/65/32/136316532.db2.gz ZBWHMTIMGYZCKI-NSHDSACASA-N 2 0 237.347 0.245 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000349084888 136322771 /nfs/dbraw/zinc/32/27/71/136322771.db2.gz ZKFCCEJRKDYNNV-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CC[NH3+] ZINC000132002621 343393058 /nfs/dbraw/zinc/39/30/58/343393058.db2.gz OGBYMOOWWXPKBX-SECBINFHSA-N 2 0 201.314 0.167 20 0 BCADRP C[C@@H](NC(=O)C1([NH3+])CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000335694156 136326157 /nfs/dbraw/zinc/32/61/57/136326157.db2.gz PZXAKYSWCKPVPF-GHMZBOCLSA-N 2 0 239.363 0.762 20 0 BCADRP CC[NH+]1CCC([NH2+]CCn2ccnc2)CC1 ZINC000041041869 343413583 /nfs/dbraw/zinc/41/35/83/343413583.db2.gz UQJDPRRCMXERRK-UHFFFAOYSA-N 2 0 222.336 0.957 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000418703401 192063044 /nfs/dbraw/zinc/06/30/44/192063044.db2.gz QNLFVXZBWFXMAU-ZYUZMQFOSA-N 2 0 228.340 0.114 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)o1 ZINC000335720858 136345836 /nfs/dbraw/zinc/34/58/36/136345836.db2.gz DEWUTTARSTVUEB-IUCAKERBSA-N 2 0 237.303 0.738 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000335727803 136347831 /nfs/dbraw/zinc/34/78/31/136347831.db2.gz UGDJQGDOTCWAOG-STQMWFEESA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000166335945 136351766 /nfs/dbraw/zinc/35/17/66/136351766.db2.gz SBZMNHBVMOCNMP-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000335684831 136330033 /nfs/dbraw/zinc/33/00/33/136330033.db2.gz AOFZURYDNSTAMR-WCQYABFASA-N 2 0 247.342 0.802 20 0 BCADRP C[NH+]1CCC(CCNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000157230936 133482872 /nfs/dbraw/zinc/48/28/72/133482872.db2.gz KWAKEDYGDXELQE-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000335718447 136340502 /nfs/dbraw/zinc/34/05/02/136340502.db2.gz JTWXPUXKMXZDHF-NEPJUHHUSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC[N@H+](C)CC1 ZINC000082249324 343437937 /nfs/dbraw/zinc/43/79/37/343437937.db2.gz BEIUZAFDKDJMDP-SNVBAGLBSA-N 2 0 213.325 0.006 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC(C)(C)[NH+](C)C ZINC000350078540 136354059 /nfs/dbraw/zinc/35/40/59/136354059.db2.gz PKPVTRKIPWUVGN-UHFFFAOYSA-N 2 0 229.368 0.785 20 0 BCADRP C[NH2+]CCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000261542285 136374380 /nfs/dbraw/zinc/37/43/80/136374380.db2.gz GMUFBYXGGAICCY-MWLCHTKSSA-N 2 0 213.325 0.230 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000261542413 136374547 /nfs/dbraw/zinc/37/45/47/136374547.db2.gz CBGBHYJFDANKJN-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@@H](C(=O)NC1CCC([NH3+])CC1)C1CCC1 ZINC000335654607 136376243 /nfs/dbraw/zinc/37/62/43/136376243.db2.gz WGOPSPGQWSDUCX-VQXHTEKXSA-N 2 0 225.336 0.500 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@@H](C)CO)CC1 ZINC000083216498 343479596 /nfs/dbraw/zinc/47/95/96/343479596.db2.gz OBPYIKYLIAZKLE-SNVBAGLBSA-N 2 0 200.326 0.689 20 0 BCADRP C[C@@H](CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)[NH+](C)C ZINC000616488326 343471143 /nfs/dbraw/zinc/47/11/43/343471143.db2.gz JGRYBLYOZRDGTI-SRVKXCTJSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[C@H](C)[NH3+] ZINC000418703396 192063141 /nfs/dbraw/zinc/06/31/41/192063141.db2.gz QNLFVXZBWFXMAU-DOLQZWNJSA-N 2 0 228.340 0.114 20 0 BCADRP CSCCC[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000379948387 365759945 /nfs/dbraw/zinc/75/99/45/365759945.db2.gz DLTXQJAJMKSBNR-LLVKDONJSA-N 2 0 232.393 0.784 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1CCC[NH2+]C1 ZINC000124153937 343542631 /nfs/dbraw/zinc/54/26/31/343542631.db2.gz JRYRYJDVWFAFBW-JTQLQIEISA-N 2 0 213.325 0.243 20 0 BCADRP C[C@@H]1[C@H](C(=O)N(C)CC2C[NH+](C)C2)CC[N@@H+]1C ZINC000618189166 343499331 /nfs/dbraw/zinc/49/93/31/343499331.db2.gz YDLHVWWXOUKDKN-ZYHUDNBSSA-N 2 0 239.363 0.347 20 0 BCADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000618190509 343551819 /nfs/dbraw/zinc/55/18/19/343551819.db2.gz VYYYLDFOEQSLCU-LLVKDONJSA-N 2 0 239.363 0.348 20 0 BCADRP CN(CC1C[NH+](C)C1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000618190748 343557091 /nfs/dbraw/zinc/55/70/91/343557091.db2.gz DWWIGIYKGHPMTK-GFCCVEGCSA-N 2 0 239.363 0.491 20 0 BCADRP COC(=O)C(C)(C)C[NH2+]CC(C)(C)[NH3+] ZINC000379511557 343570025 /nfs/dbraw/zinc/57/00/25/343570025.db2.gz YHWWWJVFPKUQLB-UHFFFAOYSA-N 2 0 202.298 0.513 20 0 BCADRP C[C@H]([NH2+]CCN(C)C)C1CC[NH+](C)CC1 ZINC000037208404 537790921 /nfs/dbraw/zinc/79/09/21/537790921.db2.gz JVNCFIQUQCZKDJ-NSHDSACASA-N 2 0 213.369 0.868 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N(C)CC1C[NH+](C)C1 ZINC000618195117 343620100 /nfs/dbraw/zinc/62/01/00/343620100.db2.gz WQJGWDQFYWBLLG-UHFFFAOYSA-N 2 0 227.352 0.347 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H](C)C[NH2+]C ZINC000086064690 343608513 /nfs/dbraw/zinc/60/85/13/343608513.db2.gz XCPPDVYYVVFMBJ-SNVBAGLBSA-N 2 0 215.341 0.300 20 0 BCADRP CCC[N@@H+]1CC[C@@H](CNC2=[NH+]CCCN2)C1 ZINC000261693644 534946319 /nfs/dbraw/zinc/94/63/19/534946319.db2.gz BPTKENIVIVJFSF-NSHDSACASA-N 2 0 224.352 0.657 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)C[NH+](C)C)CC1 ZINC000145229111 343651677 /nfs/dbraw/zinc/65/16/77/343651677.db2.gz PBAGGTQNZJSVFJ-UHFFFAOYSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000577054752 365796750 /nfs/dbraw/zinc/79/67/50/365796750.db2.gz JCAKOZPROOMONX-NOOOWODRSA-N 2 0 239.363 0.476 20 0 BCADRP O=C(CCC1CC[NH2+]CC1)NC1CC[NH2+]CC1 ZINC000584112124 343697345 /nfs/dbraw/zinc/69/73/45/343697345.db2.gz OEUCUVGKDKQLFS-UHFFFAOYSA-N 2 0 239.363 0.634 20 0 BCADRP CCOC(=O)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309028802 346956029 /nfs/dbraw/zinc/95/60/29/346956029.db2.gz CIUVUZFIYNIBJH-NXEZZACHSA-N 2 0 212.293 0.091 20 0 BCADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000576099224 343708042 /nfs/dbraw/zinc/70/80/42/343708042.db2.gz LHVYSLIYAJAWSB-MTVMDMGHSA-N 2 0 228.336 0.506 20 0 BCADRP CC[NH+]1CCC([NH2+]CCN2CCC2)CC1 ZINC000309044786 346957613 /nfs/dbraw/zinc/95/76/13/346957613.db2.gz NSMZGNJJJPDFGM-UHFFFAOYSA-N 2 0 211.353 0.766 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000576225405 343724524 /nfs/dbraw/zinc/72/45/24/343724524.db2.gz IXUAJRIGPGUOQQ-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000576225402 343724783 /nfs/dbraw/zinc/72/47/83/343724783.db2.gz IXUAJRIGPGUOQQ-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000570395294 323057991 /nfs/dbraw/zinc/05/79/91/323057991.db2.gz JNXNLYJCVRPNBW-DCAQKATOSA-N 2 0 244.383 0.752 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[N@H+]1CC=CCC1 ZINC000418732559 192064902 /nfs/dbraw/zinc/06/49/02/192064902.db2.gz UUPDESOIXQKTHX-QWRGUYRKSA-N 2 0 240.351 0.283 20 0 BCADRP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000262566398 349858594 /nfs/dbraw/zinc/85/85/94/349858594.db2.gz DIJJLRJPVZJVGB-RYUDHWBXSA-N 2 0 241.379 0.912 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000584182635 343770768 /nfs/dbraw/zinc/77/07/68/343770768.db2.gz HDXINIZEBLBCIF-TUAOUCFPSA-N 2 0 211.353 0.988 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000418731261 192065709 /nfs/dbraw/zinc/06/57/09/192065709.db2.gz PTDMTUFHDTXSRB-BBBLOLIVSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1C[NH2+]C1 ZINC000584225977 343775095 /nfs/dbraw/zinc/77/50/95/343775095.db2.gz UUNYDMNJGINCJB-ZWNOBZJWSA-N 2 0 219.332 0.506 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C1([NH3+])CCC1 ZINC000584231075 343775877 /nfs/dbraw/zinc/77/58/77/343775877.db2.gz WQTXTEVWBOZFLF-BDAKNGLRSA-N 2 0 211.309 0.064 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000584231222 343776362 /nfs/dbraw/zinc/77/63/62/343776362.db2.gz HRJUWVHWFFBNCA-DTHBNOIPSA-N 2 0 227.352 0.413 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000584231360 343776577 /nfs/dbraw/zinc/77/65/77/343776577.db2.gz PUPZVMAHCUCOCG-QWRGUYRKSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H](CS(C)(=O)=O)[N@H+](C)CC1CC[NH2+]CC1 ZINC000178973284 346969498 /nfs/dbraw/zinc/96/94/98/346969498.db2.gz XHIICLBTXFYTQT-SNVBAGLBSA-N 2 0 248.392 0.351 20 0 BCADRP [NH3+]CCCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000576516130 343752517 /nfs/dbraw/zinc/75/25/17/343752517.db2.gz KOLGSZFWUPCCAW-LLVKDONJSA-N 2 0 221.304 0.542 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000621702079 343754966 /nfs/dbraw/zinc/75/49/66/343754966.db2.gz DQAZFIJIKCDNPF-UMNHJUIQSA-N 2 0 225.336 0.230 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000418738172 192065208 /nfs/dbraw/zinc/06/52/08/192065208.db2.gz WUSAVLIAKPMMAO-GUBZILKMSA-N 2 0 228.340 0.116 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000418735501 192065908 /nfs/dbraw/zinc/06/59/08/192065908.db2.gz SUVVTORZEQNKSB-VWYCJHECSA-N 2 0 242.367 0.493 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]([NH3+])CC ZINC000418739929 192066174 /nfs/dbraw/zinc/06/61/74/192066174.db2.gz ZIEVHMGMQBZNRX-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H](C(=O)NCC[NH+]1CCCCCC1)[NH+](C)C ZINC000674245553 487535408 /nfs/dbraw/zinc/53/54/08/487535408.db2.gz QIQZLAKUBRLHDB-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159051858 346994218 /nfs/dbraw/zinc/99/42/18/346994218.db2.gz NXZJLBIZFUKMMU-ZWNOBZJWSA-N 2 0 239.363 0.572 20 0 BCADRP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@H]1CCO ZINC000381044634 343886062 /nfs/dbraw/zinc/88/60/62/343886062.db2.gz GVCPYUCEAUAMPV-RYUDHWBXSA-N 2 0 230.352 0.146 20 0 BCADRP CC(C)C[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000090767161 343940324 /nfs/dbraw/zinc/94/03/24/343940324.db2.gz XSPQVVHVPCZFCK-LBPRGKRZSA-N 2 0 213.369 0.916 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000393769669 343926707 /nfs/dbraw/zinc/92/67/07/343926707.db2.gz ITTXWHPDJAWRSW-XFWSIPNHSA-N 2 0 213.325 0.084 20 0 BCADRP CC[C@@](C)([NH3+])c1cn(CC2CC[NH2+]CC2)nn1 ZINC000641232955 362285208 /nfs/dbraw/zinc/28/52/08/362285208.db2.gz MNKNGXOSONYUOR-GFCCVEGCSA-N 2 0 237.351 0.862 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])CC(F)F ZINC000393802401 343963281 /nfs/dbraw/zinc/96/32/81/343963281.db2.gz UDCSGGCNCGQFEU-RQJHMYQMSA-N 2 0 223.267 0.068 20 0 BCADRP c1c([C@H]2CCC[NH2+]C2)nnn1CC1CC[NH2+]CC1 ZINC000641232403 362287700 /nfs/dbraw/zinc/28/77/00/362287700.db2.gz DKNWVELMXZQJQJ-LBPRGKRZSA-N 2 0 249.362 0.745 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634744018 344164600 /nfs/dbraw/zinc/16/46/00/344164600.db2.gz LISJGIXEQJODSM-XRRVDJEJSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C1([NH3+])CCC1)C2 ZINC000634744360 344165405 /nfs/dbraw/zinc/16/54/05/344165405.db2.gz VUBANALRNHMOII-TXEJJXNPSA-N 2 0 237.347 0.326 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000130332496 344130844 /nfs/dbraw/zinc/13/08/44/344130844.db2.gz HMZYIDYEKRSSII-SDDRHHMPSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000156388893 344131686 /nfs/dbraw/zinc/13/16/86/344131686.db2.gz JCUCVUYUGZQENB-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000130462583 344140231 /nfs/dbraw/zinc/14/02/31/344140231.db2.gz MFMWRGBUOGHKMY-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC[N@H+](CC)C1CC1 ZINC000130454396 344140243 /nfs/dbraw/zinc/14/02/43/344140243.db2.gz KAIJEOPXHAIVIP-SNVBAGLBSA-N 2 0 213.325 0.324 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000130481690 344141594 /nfs/dbraw/zinc/14/15/94/344141594.db2.gz WTVNYTVJYHHCAN-CMPLNLGQSA-N 2 0 239.363 0.857 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC000082260731 344153170 /nfs/dbraw/zinc/15/31/70/344153170.db2.gz HXMKJTKUYNIJIF-UHFFFAOYSA-N 2 0 233.315 0.627 20 0 BCADRP C[NH2+]CC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634753626 344207737 /nfs/dbraw/zinc/20/77/37/344207737.db2.gz KJAAJKLFTHPQMZ-SECBINFHSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN(C)C2CC2)[C@H](C)O1 ZINC000384894151 344216105 /nfs/dbraw/zinc/21/61/05/344216105.db2.gz LRIXFAKSUCRVMN-URBCHYCLSA-N 2 0 242.363 0.597 20 0 BCADRP C[NH2+]CCC[N@H+](C)CC[C@@H]1CCOC1 ZINC000400616402 529964544 /nfs/dbraw/zinc/96/45/44/529964544.db2.gz IZTIGNHGTFZCDZ-LLVKDONJSA-N 2 0 200.326 0.954 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752949 344205343 /nfs/dbraw/zinc/20/53/43/344205343.db2.gz VUZMOILIVFCIBN-MNOVXSKESA-N 2 0 241.379 0.736 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752796 344205407 /nfs/dbraw/zinc/20/54/07/344205407.db2.gz SLPGCHORHCIHPY-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761608 344252411 /nfs/dbraw/zinc/25/24/11/344252411.db2.gz FOLAMFMPLYEXSC-DCAQKATOSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)[NH+](C)C ZINC000634761783 344254775 /nfs/dbraw/zinc/25/47/75/344254775.db2.gz IVSGOLRULMGXGF-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CCCC[NH3+] ZINC000309362224 347042605 /nfs/dbraw/zinc/04/26/05/347042605.db2.gz AQGHFPILCWZOAR-UWVGGRQHSA-N 2 0 213.325 0.372 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768777 344280782 /nfs/dbraw/zinc/28/07/82/344280782.db2.gz YHLUREQDQUUDFY-NRUUGDAUSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000131628566 344314836 /nfs/dbraw/zinc/31/48/36/344314836.db2.gz HRIKTGCMUZAKRR-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000131681203 344322906 /nfs/dbraw/zinc/32/29/06/344322906.db2.gz FZAZGWXHAAGLHL-GHMZBOCLSA-N 2 0 227.352 0.761 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000573605416 344326627 /nfs/dbraw/zinc/32/66/27/344326627.db2.gz QNBQAFMDGFZTTL-MNOVXSKESA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)[C@H](C(=O)NCCC[NH+](C)C)[NH+](C)C ZINC000146643294 344366038 /nfs/dbraw/zinc/36/60/38/344366038.db2.gz LQEQDZXLMFEOPA-LLVKDONJSA-N 2 0 229.368 0.641 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000131863372 344355219 /nfs/dbraw/zinc/35/52/19/344355219.db2.gz CVMQUVZGLISJAB-KXUCPTDWSA-N 2 0 245.392 0.276 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000131877672 344355609 /nfs/dbraw/zinc/35/56/09/344355609.db2.gz STGPMDCXHFGUOT-SKDRFNHKSA-N 2 0 225.336 0.230 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]([NH3+])CCSC ZINC000131874388 344356874 /nfs/dbraw/zinc/35/68/74/344356874.db2.gz NCXSMIAZDKMVBR-BDAKNGLRSA-N 2 0 233.381 0.039 20 0 BCADRP COC(=O)CCCCN1CCC[C@H]([NH3+])C1 ZINC000600699459 344359360 /nfs/dbraw/zinc/35/93/60/344359360.db2.gz AOWDOKXEQLMXML-JTQLQIEISA-N 2 0 214.309 0.753 20 0 BCADRP COC(=O)CCCC[N@H+](C)C1CC([NH3+])C1 ZINC000600711752 344361639 /nfs/dbraw/zinc/36/16/39/344361639.db2.gz RVYRTMIPRBVGCV-UHFFFAOYSA-N 2 0 214.309 0.751 20 0 BCADRP C[C@H](CCO)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000132506354 344303143 /nfs/dbraw/zinc/30/31/43/344303143.db2.gz ILSJFEYHCLVQJJ-MXWKQRLJSA-N 2 0 200.326 0.864 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000584290628 344425520 /nfs/dbraw/zinc/42/55/20/344425520.db2.gz RTAZEZKDJYFEAW-JTQLQIEISA-N 2 0 227.352 0.559 20 0 BCADRP CC[C@]1(C(=O)NCC[NH+](C)C)CCC[NH2+]1 ZINC000215695643 344395434 /nfs/dbraw/zinc/39/54/34/344395434.db2.gz DEJDFZUKSIGHSY-LLVKDONJSA-N 2 0 213.325 0.196 20 0 BCADRP [NH3+][C@H]1CC[C@H](Nc2ncnc3c2OCCN3)CC1 ZINC000634813186 344398218 /nfs/dbraw/zinc/39/82/18/344398218.db2.gz BJKOCPQSHUSJMB-KYZUINATSA-N 2 0 249.318 0.963 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])C(C)C ZINC000236826103 344406763 /nfs/dbraw/zinc/40/67/63/344406763.db2.gz DXMLAUDGRCPYCT-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1C[NH3+] ZINC000380836388 344442714 /nfs/dbraw/zinc/44/27/14/344442714.db2.gz RRJNUHUBKHMGNS-MNOVXSKESA-N 2 0 223.324 0.195 20 0 BCADRP CN(Cc1nccn1C)C(=O)[C@H]1CCC[NH2+]1 ZINC000037497944 344507293 /nfs/dbraw/zinc/50/72/93/344507293.db2.gz QYTYIEKXCDLEOG-SECBINFHSA-N 2 0 222.292 0.131 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023746 344487039 /nfs/dbraw/zinc/48/70/39/344487039.db2.gz ZAMSGQAZDDQKKC-UTUOFQBUSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]1CN(C(=O)C(C)(C)C[NH3+])CC[C@@H]1[NH3+] ZINC000381241947 344488020 /nfs/dbraw/zinc/48/80/20/344488020.db2.gz NHPDZCFBINOAEZ-IUCAKERBSA-N 2 0 213.325 0.167 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NC1CC[NH+](C)CC1 ZINC000037267568 344496979 /nfs/dbraw/zinc/49/69/79/344496979.db2.gz VFNJVGBUVYPZET-MWLCHTKSSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](C(=O)N(C)C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514356 344541410 /nfs/dbraw/zinc/54/14/10/344541410.db2.gz RCQQCCSMTFTHAS-SECBINFHSA-N 2 0 213.325 0.134 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N(C)CCC[NH+](C)C ZINC000573905612 344546435 /nfs/dbraw/zinc/54/64/35/344546435.db2.gz ABIVCLKVIVHRRW-LLVKDONJSA-N 2 0 244.383 0.578 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@H](C)C[NH3+] ZINC000044794123 344548003 /nfs/dbraw/zinc/54/80/03/344548003.db2.gz RODKBOGGCIKNLJ-JTQLQIEISA-N 2 0 215.341 0.429 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000037612000 344552623 /nfs/dbraw/zinc/55/26/23/344552623.db2.gz RDHPOTACKIEJDB-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1cccnc1 ZINC000037632036 344555392 /nfs/dbraw/zinc/55/53/92/344555392.db2.gz WWJRQXSVBXJZAR-UHFFFAOYSA-N 2 0 234.347 0.419 20 0 BCADRP Cc1ncc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(=O)[nH]1 ZINC000577768879 344596766 /nfs/dbraw/zinc/59/67/66/344596766.db2.gz VBDPVFVAFNECAB-QWRGUYRKSA-N 2 0 236.319 0.850 20 0 BCADRP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(=O)[nH]1 ZINC000577768880 344597090 /nfs/dbraw/zinc/59/70/90/344597090.db2.gz VBDPVFVAFNECAB-WDEREUQCSA-N 2 0 236.319 0.850 20 0 BCADRP C[C@@H]1CN(CC[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CCO1 ZINC000573966910 344578950 /nfs/dbraw/zinc/57/89/50/344578950.db2.gz AHBBVKDOHBXBGF-JHJVBQTASA-N 2 0 241.379 0.376 20 0 BCADRP O=C([C@H]1CCCC[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158293381 344584023 /nfs/dbraw/zinc/58/40/23/344584023.db2.gz FXTIJLIZAXIONC-DGCLKSJQSA-N 2 0 237.347 0.341 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000641425986 362412658 /nfs/dbraw/zinc/41/26/58/362412658.db2.gz RGEYLVPQAOXWBO-LPEHRKFASA-N 2 0 228.340 0.245 20 0 BCADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC[C@H](C)[NH3+] ZINC000641425955 362412747 /nfs/dbraw/zinc/41/27/47/362412747.db2.gz QZZMPQHUESBCFV-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H](C)[NH3+] ZINC000641481498 362450014 /nfs/dbraw/zinc/45/00/14/362450014.db2.gz YOXCJOUKOBHEQF-LLVKDONJSA-N 2 0 244.383 0.563 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)NC[C@@H](C)[NH3+] ZINC000641493779 362460209 /nfs/dbraw/zinc/46/02/09/362460209.db2.gz QBLPQZSOGVMDMK-SNVBAGLBSA-N 2 0 230.356 0.317 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000309447954 347066265 /nfs/dbraw/zinc/06/62/65/347066265.db2.gz LUNYPLUKSVENPJ-KATARQTJSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000309443393 347063186 /nfs/dbraw/zinc/06/31/86/347063186.db2.gz KQIZTGRCPPKGRN-UTLUCORTSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000577867800 344639393 /nfs/dbraw/zinc/63/93/93/344639393.db2.gz ADMLFSCBNCVFTH-VWYCJHECSA-N 2 0 240.351 0.130 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000578191567 344723794 /nfs/dbraw/zinc/72/37/94/344723794.db2.gz YCIPPMJNKXGECU-GARJFASQSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C1CC[NH2+]CC1 ZINC000574275783 344730057 /nfs/dbraw/zinc/73/00/57/344730057.db2.gz QQJZHRBEWUOGBN-UHFFFAOYSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)c2ccnc(C[NH3+])c2)CC[NH2+]1 ZINC000574276161 344730074 /nfs/dbraw/zinc/73/00/74/344730074.db2.gz KWKGBWZVGBFQSQ-KOLCDFICSA-N 2 0 248.330 0.411 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000574156384 344684303 /nfs/dbraw/zinc/68/43/03/344684303.db2.gz ZZFLFVDIEBMJLQ-AEJSXWLSSA-N 2 0 228.340 0.163 20 0 BCADRP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038865 344688481 /nfs/dbraw/zinc/68/84/81/344688481.db2.gz GCKJIYRTKKYSLH-UTUOFQBUSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC[NH2+]C(C)(C)C ZINC000152874271 344702401 /nfs/dbraw/zinc/70/24/01/344702401.db2.gz UQMNZXLENNNGRB-MRVPVSSYSA-N 2 0 201.314 0.228 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]CC[C@@H]2CCOC2)CC1 ZINC000400641652 530050791 /nfs/dbraw/zinc/05/07/91/530050791.db2.gz QCFUIYNLIGIHLU-GFCCVEGCSA-N 2 0 242.363 0.459 20 0 BCADRP CC1(CNC(=O)CC2(C[NH3+])CC2)CC[NH2+]CC1 ZINC000562975256 323077719 /nfs/dbraw/zinc/07/77/19/323077719.db2.gz LJDIKLWVEQWLNK-UHFFFAOYSA-N 2 0 239.363 0.621 20 0 BCADRP OC[C@H]1CCC[NH+]1CCC[N@H+]1CCC[C@@H]1CO ZINC000077317814 344816370 /nfs/dbraw/zinc/81/63/70/344816370.db2.gz NLFDFXLSEISWHZ-CHWSQXEVSA-N 2 0 242.363 0.290 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000578378970 344845724 /nfs/dbraw/zinc/84/57/24/344845724.db2.gz UVALXFQHESDPCV-WCBMZHEXSA-N 2 0 201.314 0.084 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000582127376 344898118 /nfs/dbraw/zinc/89/81/18/344898118.db2.gz SZSFOLLGMNJICO-SRVKXCTJSA-N 2 0 230.352 0.314 20 0 BCADRP CCOC[C@@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C ZINC000583435723 344953471 /nfs/dbraw/zinc/95/34/71/344953471.db2.gz BANBDQXLCUTXEV-NEPJUHHUSA-N 2 0 246.395 0.950 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C ZINC000583435724 344953666 /nfs/dbraw/zinc/95/36/66/344953666.db2.gz BANBDQXLCUTXEV-NWDGAFQWSA-N 2 0 246.395 0.950 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000153739000 344962689 /nfs/dbraw/zinc/96/26/89/344962689.db2.gz GHEGNJIMUAOFSF-OLZOCXBDSA-N 2 0 244.379 0.969 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000153738898 344963013 /nfs/dbraw/zinc/96/30/13/344963013.db2.gz GHEGNJIMUAOFSF-STQMWFEESA-N 2 0 244.379 0.969 20 0 BCADRP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[NH2+]C1 ZINC000579226689 344944808 /nfs/dbraw/zinc/94/48/08/344944808.db2.gz BIQNAPSDDWCKDW-NSHDSACASA-N 2 0 244.298 0.768 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]([NH3+])CC(C)C ZINC000154788838 345050664 /nfs/dbraw/zinc/05/06/64/345050664.db2.gz VWFZEHNAWYDZQI-ZJUUUORDSA-N 2 0 215.341 0.332 20 0 BCADRP CC1(C)C[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000044368850 345038381 /nfs/dbraw/zinc/03/83/81/345038381.db2.gz QMWXJLUYIVYGPI-MNOVXSKESA-N 2 0 212.337 0.831 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000155004932 345063274 /nfs/dbraw/zinc/06/32/74/345063274.db2.gz XPPKRQIIJMJSOW-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000155058246 345065236 /nfs/dbraw/zinc/06/52/36/345065236.db2.gz VCCAARAVNKDLBO-GHMZBOCLSA-N 2 0 227.352 0.393 20 0 BCADRP OCCOCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155823990 345107672 /nfs/dbraw/zinc/10/76/72/345107672.db2.gz MNMZLHWDYDGDSB-NWDGAFQWSA-N 2 0 228.336 0.212 20 0 BCADRP CC(C)[C@H](C[NH3+])C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000634990758 345173182 /nfs/dbraw/zinc/17/31/82/345173182.db2.gz BEAQKYCQJPAQCW-CYBMUJFWSA-N 3 0 242.411 0.054 20 0 BCADRP C[NH2+][C@H]1CCCN(C[C@H](C[NH3+])C(C)C)C1 ZINC000634991216 345174320 /nfs/dbraw/zinc/17/43/20/345174320.db2.gz UVXIJJKVERHUGW-RYUDHWBXSA-N 2 0 213.369 0.901 20 0 BCADRP CC(C)[C@H](C[NH3+])C[NH+]1CCC(C[NH3+])CC1 ZINC000634991110 345174329 /nfs/dbraw/zinc/17/43/29/345174329.db2.gz QDUJUSCYTFSGKN-GFCCVEGCSA-N 3 0 213.369 0.888 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000634991741 345178191 /nfs/dbraw/zinc/17/81/91/345178191.db2.gz QAENKUGTNNXRAY-GRYCIOLGSA-N 2 0 213.369 0.886 20 0 BCADRP C(N1CC[NH+](C2CC2)CC1)C12CC(C1)C[NH2+]2 ZINC000634991995 345179320 /nfs/dbraw/zinc/17/93/20/345179320.db2.gz ZDISFEATYAPYBB-UHFFFAOYSA-N 2 0 221.348 0.518 20 0 BCADRP C[NH+](C)[C@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634992732 345181100 /nfs/dbraw/zinc/18/11/00/345181100.db2.gz YZYZIDZSYPBWJW-CPCZMJQVSA-N 2 0 223.364 0.764 20 0 BCADRP CN(CC12CC(C1)C[NH2+]2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000634992618 345181123 /nfs/dbraw/zinc/18/11/23/345181123.db2.gz VZPNPWBFDWHMSJ-QRMWWUJWSA-N 2 0 235.375 0.907 20 0 BCADRP CC(C)[C@H](C[NH3+])CN[C@H](C[NH3+])C(F)(F)F ZINC000634996786 345181168 /nfs/dbraw/zinc/18/11/68/345181168.db2.gz VMDZDVDUVOLARB-HTQZYQBOSA-N 2 0 227.274 0.697 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(CC34CC(C3)C[NH2+]4)[C@@H]2C1 ZINC000634994577 345181507 /nfs/dbraw/zinc/18/15/07/345181507.db2.gz HQHSDNALBOUUEX-YIFLHPOLSA-N 2 0 235.375 0.764 20 0 BCADRP CN(CC12CC(C1)C[NH2+]2)C1(C[NH3+])CCC1 ZINC000634994477 345181996 /nfs/dbraw/zinc/18/19/96/345181996.db2.gz DXUAGQLFRGCUMD-UHFFFAOYSA-N 2 0 209.337 0.552 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CC[NH2+]C[C@](C)(F)C1 ZINC000634994642 345182366 /nfs/dbraw/zinc/18/23/66/345182366.db2.gz JNDJIRRPBIIAGG-NEPJUHHUSA-N 2 0 231.359 0.851 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000634994983 345183892 /nfs/dbraw/zinc/18/38/92/345183892.db2.gz RKVUFJCNWBJHQH-YNEHKIRRSA-N 2 0 225.380 0.901 20 0 BCADRP CC(C)[C@@H](C[NH3+])C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000634996852 345184519 /nfs/dbraw/zinc/18/45/19/345184519.db2.gz XBLOMSJFLULAHY-NSHDSACASA-N 2 0 229.368 0.003 20 0 BCADRP OCC[C@@H]1CCCN1CC12CC(C1)C[NH2+]2 ZINC000634996870 345184596 /nfs/dbraw/zinc/18/45/96/345184596.db2.gz XPCMNKKZNXNOJD-CXQJBGSLSA-N 2 0 210.321 0.585 20 0 BCADRP OC[C@@H](Cc1ccccc1)NCC12CC(C1)C[NH2+]2 ZINC000634996841 345184621 /nfs/dbraw/zinc/18/46/21/345184621.db2.gz WVRQBPGANSNZBF-SHARSMKWSA-N 2 0 246.354 0.932 20 0 BCADRP CC(C)[C@H](C[NH3+])CN[C@@H]1CC[NH2+][C@H](C)C1 ZINC000634995745 345185131 /nfs/dbraw/zinc/18/51/31/345185131.db2.gz NRJJWCLRTCHLGZ-IJLUTSLNSA-N 2 0 213.369 0.947 20 0 BCADRP CC[NH2+][C@H](C)CNC[C@H](C[NH3+])C(C)C ZINC000634996013 345185714 /nfs/dbraw/zinc/18/57/14/345185714.db2.gz WKYONUNSUALJPL-MNOVXSKESA-N 2 0 201.358 0.805 20 0 BCADRP CC(C)[C@H](C[NH3+])CNC[C@@H]1C[NH2+]CCCO1 ZINC000634995896 345185899 /nfs/dbraw/zinc/18/58/99/345185899.db2.gz SDSDNZQHODGUQS-NEPJUHHUSA-N 2 0 229.368 0.185 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000634995816 345185906 /nfs/dbraw/zinc/18/59/06/345185906.db2.gz PNJDBKHBOFUSHK-ZYGVAYEYSA-N 2 0 209.337 0.326 20 0 BCADRP CC(C)[C@H](C[NH3+])CNCCC[NH2+]C1CC1 ZINC000634996022 345186074 /nfs/dbraw/zinc/18/60/74/345186074.db2.gz WRJQOCMCLHTGBI-LLVKDONJSA-N 2 0 213.369 0.949 20 0 BCADRP CC(C)[C@H](C[NH3+])C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000634996092 345186916 /nfs/dbraw/zinc/18/69/16/345186916.db2.gz ZDRCMUVDMSDUPI-UTUOFQBUSA-N 3 0 213.369 0.934 20 0 BCADRP CN(C[C@H]1COCCO1)CC12CC(C1)C[NH2+]2 ZINC000634996350 345187737 /nfs/dbraw/zinc/18/77/37/345187737.db2.gz HQMXMTQFTVJAEJ-CXQJBGSLSA-N 2 0 226.320 0.086 20 0 BCADRP C[NH+](C)CC1(C(=O)NCC(C)(C)[NH+](C)C)CC1 ZINC000635111364 345248751 /nfs/dbraw/zinc/24/87/51/345248751.db2.gz HWLKZTWMSLRYBA-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP c1ncn([C@@H]2CCN(CC34CC(C3)C[NH2+]4)C2)n1 ZINC000634993936 345191985 /nfs/dbraw/zinc/19/19/85/345191985.db2.gz KTSZYXXNSIFXJO-MOENNCHZSA-N 2 0 233.319 0.277 20 0 BCADRP C(N1CC[C@H]2CC[NH2+][C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634993892 345192130 /nfs/dbraw/zinc/19/21/30/345192130.db2.gz JGXLTPREXWPVGW-QZQSVVMZSA-N 2 0 221.348 0.422 20 0 BCADRP C(N1CC[C@@H]2CC[NH2+][C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634993890 345192200 /nfs/dbraw/zinc/19/22/00/345192200.db2.gz JGXLTPREXWPVGW-CMOBGSAGSA-N 2 0 221.348 0.422 20 0 BCADRP CC(C)[C@H]1CN(CC23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000634994226 345192719 /nfs/dbraw/zinc/19/27/19/345192719.db2.gz WBUNMZWEAWELKQ-OTTFEQOBSA-N 2 0 223.364 0.668 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(CC13CC(C1)C[NH2+]3)C2 ZINC000634997661 345193120 /nfs/dbraw/zinc/19/31/20/345193120.db2.gz QAADTDNUZHGGCR-AKJUYKBHSA-N 2 0 235.375 0.670 20 0 BCADRP [NH3+][C@@H]1CN(CC23CC(C2)C[NH2+]3)CC[C@H]1F ZINC000634997829 345196501 /nfs/dbraw/zinc/19/65/01/345196501.db2.gz UHNDCPWCHOJNRT-WYNUPADASA-N 2 0 213.300 0.110 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999050 345199282 /nfs/dbraw/zinc/19/92/82/345199282.db2.gz PETUAZBACAMHBF-UTUOFQBUSA-N 2 0 213.369 0.886 20 0 BCADRP C[C@@H]1CN(C[C@@]23C[C@@H]2C[NH2+]C3)C[C@H]1C[NH3+] ZINC000634999465 345199907 /nfs/dbraw/zinc/19/99/07/345199907.db2.gz UZAVMOWLAZTQDB-KKOKHZNYSA-N 2 0 209.337 0.123 20 0 BCADRP [NH3+][C@H]1CCCCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634997905 345202882 /nfs/dbraw/zinc/20/28/82/345202882.db2.gz VUZJEMMRCFKJTM-CPCZMJQVSA-N 2 0 223.364 0.942 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000634997889 345202933 /nfs/dbraw/zinc/20/29/33/345202933.db2.gz VLAYDZFDBOSTOO-WOPDTQHZSA-N 2 0 213.369 0.947 20 0 BCADRP CC(C)[C@@H](C[NH3+])C[NH2+]CCOCCC[NH3+] ZINC000634997912 345202943 /nfs/dbraw/zinc/20/29/43/345202943.db2.gz WCEGSDRAEMGSCG-NSHDSACASA-N 3 0 217.357 0.172 20 0 BCADRP OCC[NH2+]C1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000635002811 345204782 /nfs/dbraw/zinc/20/47/82/345204782.db2.gz YZRCVWHFMCLLBK-LLVKDONJSA-N 2 0 244.404 0.786 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004031 345207011 /nfs/dbraw/zinc/20/70/11/345207011.db2.gz GRBKWYLIAMUVMY-JHJVBQTASA-N 3 0 243.395 0.847 20 0 BCADRP CCC[C@H](CCO)[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000635004258 345207691 /nfs/dbraw/zinc/20/76/91/345207691.db2.gz NUMMRYONIFJZEE-FVCCEPFGSA-N 2 0 244.379 0.879 20 0 BCADRP C[C@@H](CS(C)(=O)=O)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635006149 345210528 /nfs/dbraw/zinc/21/05/28/345210528.db2.gz LIQAFJRTVZRRJY-DCAQKATOSA-N 2 0 248.392 0.527 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012120 345214690 /nfs/dbraw/zinc/21/46/90/345214690.db2.gz QVQWLVFADUFIDY-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000635349647 345318343 /nfs/dbraw/zinc/31/83/43/345318343.db2.gz ZOUBWYLGFIRDEO-GRYCIOLGSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H](C(=O)NCC[NH+]1CCCCC1)[NH+](C)C ZINC000635307224 345300046 /nfs/dbraw/zinc/30/00/46/345300046.db2.gz JFMABKJFIFCLCR-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP CNC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000335373538 345339087 /nfs/dbraw/zinc/33/90/87/345339087.db2.gz AGQBJCSMCKNRAW-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000449133425 201816192 /nfs/dbraw/zinc/81/61/92/201816192.db2.gz YKUBZRGUNCCTGI-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[NH+](C)C ZINC000635538215 345506702 /nfs/dbraw/zinc/50/67/02/345506702.db2.gz IZSGPIXOEIMBKT-ZYHUDNBSSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)CC(N)=O)CC1 ZINC000135807992 345458931 /nfs/dbraw/zinc/45/89/31/345458931.db2.gz SRHBTZDBOSPAGP-JTQLQIEISA-N 2 0 227.352 0.713 20 0 BCADRP COC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000068892054 349931007 /nfs/dbraw/zinc/93/10/07/349931007.db2.gz KFJDNFDPOSHHLI-VXGBXAGGSA-N 2 0 230.352 0.315 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC1(C)CC[NH2+]CC1 ZINC000563092325 323091794 /nfs/dbraw/zinc/09/17/94/323091794.db2.gz MKJCMIVNQWQYIT-UWVGGRQHSA-N 2 0 242.367 0.554 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)[NH+](C)C ZINC000635548945 345591381 /nfs/dbraw/zinc/59/13/81/345591381.db2.gz ZHALUDOHGANDFR-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000563116086 323093488 /nfs/dbraw/zinc/09/34/88/323093488.db2.gz XWNNCOMKAFJHEN-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000563106134 323092709 /nfs/dbraw/zinc/09/27/09/323092709.db2.gz WQOCGXJPFJRXIU-DCAQKATOSA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000563107734 323092744 /nfs/dbraw/zinc/09/27/44/323092744.db2.gz ZTKUJWVONNQGOH-GHMZBOCLSA-N 2 0 227.352 0.489 20 0 BCADRP C[C@H](C(=O)N1CCC(C[NH+](C)C)CC1)[NH+](C)C ZINC000635555491 345697085 /nfs/dbraw/zinc/69/70/85/345697085.db2.gz DBILBIJPPHTZAR-LLVKDONJSA-N 2 0 241.379 0.737 20 0 BCADRP C[C@@H]1CN[C@@H](C)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000111824822 345691017 /nfs/dbraw/zinc/69/10/17/345691017.db2.gz KVYQHBMRYZEAES-WDEREUQCSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000635559462 345753029 /nfs/dbraw/zinc/75/30/29/345753029.db2.gz BKVJTNAQVXCZRS-ZYHUDNBSSA-N 2 0 239.363 0.632 20 0 BCADRP CC[NH+](CC)CCC(=O)N1CCN(C)CC1 ZINC000147104800 345710486 /nfs/dbraw/zinc/71/04/86/345710486.db2.gz OAEZSTFNBPLRGI-UHFFFAOYSA-N 2 0 227.352 0.492 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000212153087 345725200 /nfs/dbraw/zinc/72/52/00/345725200.db2.gz CKVUTCWIOHESMQ-GFCCVEGCSA-N 2 0 239.363 0.670 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)[NH+](C)C ZINC000635558448 345735743 /nfs/dbraw/zinc/73/57/43/345735743.db2.gz KZGDYDBNVILNQU-WDEREUQCSA-N 2 0 229.368 0.783 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC000600986349 345772204 /nfs/dbraw/zinc/77/22/04/345772204.db2.gz WGSLNSHGIHTLNZ-LBPRGKRZSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)[NH+](C)C ZINC000635564126 345782159 /nfs/dbraw/zinc/78/21/59/345782159.db2.gz DCAUHQWOWWDMEE-GHMZBOCLSA-N 2 0 227.352 0.347 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)[NH+](C)C ZINC000635573437 345827975 /nfs/dbraw/zinc/82/79/75/345827975.db2.gz UWWMTHOXFXQFLU-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP [NH3+]CCCC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000563159599 323097195 /nfs/dbraw/zinc/09/71/95/323097195.db2.gz GKTPUCGJAVLCRN-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N(C)C1(C[NH3+])CCC1 ZINC000563163312 323098377 /nfs/dbraw/zinc/09/83/77/323098377.db2.gz TUMQPQGVCOANSZ-SECBINFHSA-N 2 0 213.325 0.454 20 0 BCADRP CN(CC[NH+](C)C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635641031 345914352 /nfs/dbraw/zinc/91/43/52/345914352.db2.gz OSNRAJWZXKJCBO-NSHDSACASA-N 2 0 227.352 0.348 20 0 BCADRP CN(CC[NH+](C)C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635641030 345914364 /nfs/dbraw/zinc/91/43/64/345914364.db2.gz OSNRAJWZXKJCBO-LLVKDONJSA-N 2 0 227.352 0.348 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000563171324 323099828 /nfs/dbraw/zinc/09/98/28/323099828.db2.gz WEPVDXQCFIUGJN-YIZRAAEISA-N 2 0 213.325 0.369 20 0 BCADRP C[NH2+]CC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000183281552 345937261 /nfs/dbraw/zinc/93/72/61/345937261.db2.gz RIESTXHLABDRIA-UHFFFAOYSA-N 2 0 223.276 0.182 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183323964 345937336 /nfs/dbraw/zinc/93/73/36/345937336.db2.gz JTJSMEJQCBZRHW-SNVBAGLBSA-N 2 0 227.352 0.348 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000145651700 345939927 /nfs/dbraw/zinc/93/99/27/345939927.db2.gz VLBOBERPGVAPHP-SECBINFHSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000380014375 365806543 /nfs/dbraw/zinc/80/65/43/365806543.db2.gz MRPYXFSRPUUUCW-HTQZYQBOSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@H](C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+](C)C ZINC000635677449 345974445 /nfs/dbraw/zinc/97/44/45/345974445.db2.gz SKSUMVOXBFYTAB-FOGDFJRCSA-N 2 0 239.363 0.535 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)[NH+](C)C ZINC000635781287 346055899 /nfs/dbraw/zinc/05/58/99/346055899.db2.gz ZNHZVHLGTLQRJQ-UTUOFQBUSA-N 2 0 239.363 0.489 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635768244 346058726 /nfs/dbraw/zinc/05/87/26/346058726.db2.gz CWJCZINEDHQISK-LBPRGKRZSA-N 2 0 241.379 0.738 20 0 BCADRP CCC[N@H+](C)C1CCN(CCO)CC1 ZINC000148045387 346032076 /nfs/dbraw/zinc/03/20/76/346032076.db2.gz VBYGSHQWKGOFCZ-UHFFFAOYSA-N 2 0 200.326 0.785 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)[NH+](C)C ZINC000635818240 346078977 /nfs/dbraw/zinc/07/89/77/346078977.db2.gz CUYNSLQLUUCIMO-GMTAPVOTSA-N 2 0 227.352 0.535 20 0 BCADRP CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@@H](C)[NH+](C)C ZINC000635885125 346102273 /nfs/dbraw/zinc/10/22/73/346102273.db2.gz URHJKNGZAUWTNR-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH+](C)C ZINC000635953864 346123178 /nfs/dbraw/zinc/12/31/78/346123178.db2.gz NTDHQWDUTMNAEL-VXGBXAGGSA-N 2 0 241.379 0.642 20 0 BCADRP CC[C@H]1CN(C)CCN1C(=O)[C@@H](C)[NH+](C)C ZINC000635973004 346128640 /nfs/dbraw/zinc/12/86/40/346128640.db2.gz WEHDTCVZKKMYTQ-MNOVXSKESA-N 2 0 227.352 0.489 20 0 BCADRP C[C@H](C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)[NH+](C)C ZINC000635975334 346129998 /nfs/dbraw/zinc/12/99/98/346129998.db2.gz XDYJGOLORQPJSJ-YPMHNXCESA-N 2 0 239.363 0.491 20 0 BCADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH+](C)C ZINC000635955510 346131235 /nfs/dbraw/zinc/13/12/35/346131235.db2.gz WWPYZYJJTLHDIM-LLVKDONJSA-N 2 0 241.379 0.642 20 0 BCADRP CCN(C(=O)[C@@H](C)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000635985004 346138629 /nfs/dbraw/zinc/13/86/29/346138629.db2.gz FIFUEZQCLILRHB-LLVKDONJSA-N 2 0 241.379 0.879 20 0 BCADRP C[NH+](C)C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000636034047 346170614 /nfs/dbraw/zinc/17/06/14/346170614.db2.gz GDCLKEDGJNNFJH-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636013190 346154928 /nfs/dbraw/zinc/15/49/28/346154928.db2.gz UKIYXFQLVYRJOZ-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000636020228 346158629 /nfs/dbraw/zinc/15/86/29/346158629.db2.gz RUJWCXJKGVLNON-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP CCN(CCO)CC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000684395035 488304975 /nfs/dbraw/zinc/30/49/75/488304975.db2.gz QKPGWAULEZASEG-STQMWFEESA-N 2 0 244.379 0.848 20 0 BCADRP CCOC[C@H](O)C[NH2+]CC1CC[NH+](CC)CC1 ZINC000069278302 349944018 /nfs/dbraw/zinc/94/40/18/349944018.db2.gz IWDPKSVOOYXIHE-CYBMUJFWSA-N 2 0 244.379 0.705 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC[NH2+]C ZINC000121566894 349945421 /nfs/dbraw/zinc/94/54/21/349945421.db2.gz JDEVCILUNZKCID-BDAKNGLRSA-N 2 0 201.314 0.086 20 0 BCADRP CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000673877227 488310932 /nfs/dbraw/zinc/31/09/32/488310932.db2.gz ZCTNPVSIYBPZOH-LLVKDONJSA-N 2 0 242.367 0.284 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626522 349951199 /nfs/dbraw/zinc/95/11/99/349951199.db2.gz QIDNCFGJJNAGML-NXEZZACHSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@@H](C(=O)N(C)C)[NH+]1CCC(CC[NH3+])CC1 ZINC000069729903 349953747 /nfs/dbraw/zinc/95/37/47/349953747.db2.gz LPGCQDQVUMFSGQ-JTQLQIEISA-N 2 0 227.352 0.524 20 0 BCADRP CCNC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000069729934 349953831 /nfs/dbraw/zinc/95/38/31/349953831.db2.gz LUOYEKUIIICLBY-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP CC[NH+](CC)CC[C@H](CO)NCc1ncc[nH]1 ZINC000641771609 362709722 /nfs/dbraw/zinc/70/97/22/362709722.db2.gz JYHQRLLINOMQLO-LLVKDONJSA-N 2 0 240.351 0.592 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)CCCC[NH3+] ZINC000069734084 349956340 /nfs/dbraw/zinc/95/63/40/349956340.db2.gz FTBJZHIOCNIYHG-NSHDSACASA-N 2 0 229.368 0.962 20 0 BCADRP CC[NH+](CC)CC[C@@H](CO)[NH2+]CC1(C)COC1 ZINC000641770652 362712816 /nfs/dbraw/zinc/71/28/16/362712816.db2.gz YMFYMXSVDCTMNY-LBPRGKRZSA-N 2 0 244.379 0.705 20 0 BCADRP [NH3+]CCCCC(=O)NCCC[NH+]1CCCC1 ZINC000069732923 349955413 /nfs/dbraw/zinc/95/54/13/349955413.db2.gz MPVUMWNHMIXWPK-UHFFFAOYSA-N 2 0 227.352 0.718 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H](C)[NH2+]C ZINC000574926783 346415799 /nfs/dbraw/zinc/41/57/99/346415799.db2.gz MXXMTJLKEGDUGN-IUCAKERBSA-N 2 0 201.314 0.228 20 0 BCADRP C[NH2+]CCN(C)C(=O)CCC1CC[NH2+]CC1 ZINC000069803227 349960836 /nfs/dbraw/zinc/96/08/36/349960836.db2.gz NCQZHCDVQCPIJP-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000069840025 349962228 /nfs/dbraw/zinc/96/22/28/349962228.db2.gz KHXXMVWCDNFTLB-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000248942649 346461879 /nfs/dbraw/zinc/46/18/79/346461879.db2.gz AAWDSAKXXYMWMI-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP CCCCOC[C@@H](O)C[NH2+][C@@H]1CCN(CC)C1 ZINC000389423842 346463784 /nfs/dbraw/zinc/46/37/84/346463784.db2.gz WEQDNDKRVCEREX-OLZOCXBDSA-N 2 0 244.379 0.848 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000580095796 346523782 /nfs/dbraw/zinc/52/37/82/346523782.db2.gz HTYQLJTWIVOCGC-WOPDTQHZSA-N 2 0 211.353 0.988 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000641801043 362753581 /nfs/dbraw/zinc/75/35/81/362753581.db2.gz LWYOTVWQMJKDGV-MXWKQRLJSA-N 3 0 239.363 0.223 20 0 BCADRP CN1CCC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)C1=O ZINC000641801571 362756227 /nfs/dbraw/zinc/75/62/27/362756227.db2.gz SRMKKYOABVYJLJ-AEJSXWLSSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1CN(CC[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)CCO1 ZINC000641801568 362756349 /nfs/dbraw/zinc/75/63/49/362756349.db2.gz SQUCWGUHBXBUGO-IJLUTSLNSA-N 2 0 241.379 0.423 20 0 BCADRP CN1CCC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)C1=O ZINC000641801574 362756604 /nfs/dbraw/zinc/75/66/04/362756604.db2.gz SRMKKYOABVYJLJ-LPEHRKFASA-N 2 0 225.336 0.323 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC000641801498 362756713 /nfs/dbraw/zinc/75/67/13/362756713.db2.gz RFNQMBRXROUQCU-IVZWLZJFSA-N 2 0 235.335 0.481 20 0 BCADRP CC1(C)[C@H]([NH2+]CCOC2CCOCC2)C[C@@H]1[NH3+] ZINC000641801723 362756725 /nfs/dbraw/zinc/75/67/25/362756725.db2.gz UBCPUSCYFJOTHC-NWDGAFQWSA-N 2 0 242.363 0.897 20 0 BCADRP CN1CCC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)C1=O ZINC000641801573 362756775 /nfs/dbraw/zinc/75/67/75/362756775.db2.gz SRMKKYOABVYJLJ-IVZWLZJFSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1CC[C@H](C[NH3+])N(C[C@@H]2C[NH2+]CCO2)[C@H]1C ZINC000641809548 362765644 /nfs/dbraw/zinc/76/56/44/362765644.db2.gz RGHYMLKHZGVVMR-XQHKEYJVSA-N 2 0 241.379 0.423 20 0 BCADRP CCOC[C@@H]([NH2+]C[C@@H](O)CN(C)CC)C(C)C ZINC000310499950 323132450 /nfs/dbraw/zinc/13/24/50/323132450.db2.gz HQGZBHOSJQTTQH-CHWSQXEVSA-N 2 0 246.395 0.950 20 0 BCADRP C[NH2+]CCCC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000580201561 346658365 /nfs/dbraw/zinc/65/83/65/346658365.db2.gz UGDJQKGDOZSKGH-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP CC[C@@H](C(=O)N(C)[C@H]1CC[NH2+]C1)[NH+](CC)CC ZINC000580201526 346658410 /nfs/dbraw/zinc/65/84/10/346658410.db2.gz RNGJJBOMJXRWFV-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H](c1cccnc1)N(C)C[C@@H](O)C[NH3+] ZINC000580650303 365844927 /nfs/dbraw/zinc/84/49/27/365844927.db2.gz VZWPKVJBMILYGA-ONGXEEELSA-N 2 0 209.293 0.394 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000577177262 365858581 /nfs/dbraw/zinc/85/85/81/365858581.db2.gz ODZPBNFDICMEDG-LSCVPOLPSA-N 2 0 237.347 0.230 20 0 BCADRP C[C@H]([NH3+])c1ccc(C(=O)NCCC[NH3+])cc1 ZINC000577176542 365858610 /nfs/dbraw/zinc/85/86/10/365858610.db2.gz RRADXPIBBGOEHO-VIFPVBQESA-N 2 0 221.304 0.785 20 0 BCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252697294 346778675 /nfs/dbraw/zinc/77/86/75/346778675.db2.gz GNFUOPHEYSOGOD-OPRDCNLKSA-N 2 0 225.336 0.323 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH2+][C@H]1C)C1CC1 ZINC000300421205 346745308 /nfs/dbraw/zinc/74/53/08/346745308.db2.gz IZGICFNSEFDINJ-CMPLNLGQSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)[N@H+](C)C1CC1 ZINC000300422203 346746076 /nfs/dbraw/zinc/74/60/76/346746076.db2.gz WUVZITFKJYAFDA-NHCYSSNCSA-N 2 0 239.363 0.583 20 0 BCADRP CC(=O)NCC[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000308204746 346747481 /nfs/dbraw/zinc/74/74/81/346747481.db2.gz XTWJBVWKAAXHQO-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCC[NH3+] ZINC000518766809 346793386 /nfs/dbraw/zinc/79/33/86/346793386.db2.gz URQKOGYUTMWHSP-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP [NH3+]CC1(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622004032 370654337 /nfs/dbraw/zinc/65/43/37/370654337.db2.gz JFKHMEHWMROVTO-CMPLNLGQSA-N 2 0 209.337 0.539 20 0 BCADRP C[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C[C@@H]1CO ZINC000622003592 370654390 /nfs/dbraw/zinc/65/43/90/370654390.db2.gz BZPDBNPLRXYQQT-NXEZZACHSA-N 2 0 200.326 0.674 20 0 BCADRP Cn1cncc1CCN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000641825569 362775530 /nfs/dbraw/zinc/77/55/30/362775530.db2.gz ZMSHLVIXEQUDIE-OKILXGFUSA-N 2 0 248.374 0.894 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)[C@H]1C ZINC000582056710 347150948 /nfs/dbraw/zinc/15/09/48/347150948.db2.gz ZFGYUMBKHVYZAT-OUAUKWLOSA-N 2 0 225.336 0.052 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000309757815 347156935 /nfs/dbraw/zinc/15/69/35/347156935.db2.gz IAPDXXASQYLHBW-NXEZZACHSA-N 2 0 215.341 0.603 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000309814277 347173427 /nfs/dbraw/zinc/17/34/27/347173427.db2.gz UZMXIXLBWZLIQV-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1CN(C(=O)NC/C=C\C[NH3+])C[C@H](C)[N@H+]1C ZINC000641862549 362790407 /nfs/dbraw/zinc/79/04/07/362790407.db2.gz PFNRMXWVVJBHMA-XTDHWIJXSA-N 2 0 240.351 0.235 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CC(F)F ZINC000310307302 347260661 /nfs/dbraw/zinc/26/06/61/347260661.db2.gz SAFWZIWLTPRPCN-DTWKUNHWSA-N 2 0 249.305 0.569 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000019425552 347323478 /nfs/dbraw/zinc/32/34/78/347323478.db2.gz YMXSPVBRYFATPH-MRVPVSSYSA-N 2 0 201.314 0.038 20 0 BCADRP C[C@H]([NH3+])C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000019438565 347324089 /nfs/dbraw/zinc/32/40/89/347324089.db2.gz SFAPKWORBPQQGO-LBPRGKRZSA-N 2 0 249.358 0.972 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000082280816 347328676 /nfs/dbraw/zinc/32/86/76/347328676.db2.gz DCNSTDOTIQHMRO-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP CC[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000019506837 347338081 /nfs/dbraw/zinc/33/80/81/347338081.db2.gz JEMXNLBLPFJJCS-LBPRGKRZSA-N 2 0 211.353 0.624 20 0 BCADRP C[C@@H](CCCCO)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000679339940 488341633 /nfs/dbraw/zinc/34/16/33/488341633.db2.gz GLLWSWVNPITPKB-LBPRGKRZSA-N 2 0 244.379 0.584 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)CC[NH+](C)C ZINC000353958962 187374582 /nfs/dbraw/zinc/37/45/82/187374582.db2.gz IIUBATFTHUWFCN-LLVKDONJSA-N 2 0 229.368 0.783 20 0 BCADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000396453146 362821308 /nfs/dbraw/zinc/82/13/08/362821308.db2.gz KSAPQFGJIOEMIJ-CMPLNLGQSA-N 3 0 211.353 0.668 20 0 BCADRP C[C@@H](C(=O)NCC1(C)CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000192127203 347368032 /nfs/dbraw/zinc/36/80/32/347368032.db2.gz MZJNBDOEOFUEIZ-ZJUUUORDSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[C@H]1CC[C@@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000582116260 347377868 /nfs/dbraw/zinc/37/78/68/347377868.db2.gz LCCPDCURFZPVSC-NEPJUHHUSA-N 2 0 239.363 0.442 20 0 BCADRP COCC(COC)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000388423779 347398203 /nfs/dbraw/zinc/39/82/03/347398203.db2.gz JBZXOIDINYPHSH-NXEZZACHSA-N 2 0 216.325 0.507 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1CC[NH2+]1 ZINC000577215824 365885218 /nfs/dbraw/zinc/88/52/18/365885218.db2.gz TYYUDSUDRRLUOP-MXWKQRLJSA-N 2 0 225.336 0.147 20 0 BCADRP CC(C)[N@@H+](C)CCNC(=O)C[C@H](C)[NH3+] ZINC000054133666 347469105 /nfs/dbraw/zinc/46/91/05/347469105.db2.gz SGCNLQMXSPSIFR-VIFPVBQESA-N 2 0 201.314 0.180 20 0 BCADRP C[C@@H]1CN(C(=O)C[NH2+]CC2CC2)[C@@H](C)C[NH2+]1 ZINC000356371368 187376873 /nfs/dbraw/zinc/37/68/73/187376873.db2.gz GPNXJZVILREXQI-ZJUUUORDSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000382950358 347506563 /nfs/dbraw/zinc/50/65/63/347506563.db2.gz LMHRIEBOGOWFKQ-GHMZBOCLSA-N 2 0 241.379 0.973 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000382974016 347517613 /nfs/dbraw/zinc/51/76/13/347517613.db2.gz SACAVOJCOBFFEM-PWSUYJOCSA-N 2 0 239.363 0.680 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000571640978 323150547 /nfs/dbraw/zinc/15/05/47/323150547.db2.gz WDBDGXTUHXSZEF-PWSUYJOCSA-N 2 0 239.363 0.620 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591418429 347656898 /nfs/dbraw/zinc/65/68/98/347656898.db2.gz BDTPHHBPNDLERD-LLVKDONJSA-N 2 0 241.379 0.642 20 0 BCADRP Cc1ccccc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000042436004 179269803 /nfs/dbraw/zinc/26/98/03/179269803.db2.gz IONBPNCNTYFPSQ-LBPRGKRZSA-N 2 0 208.305 0.746 20 0 BCADRP C[C@]1(CNC[C@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000414900555 323151911 /nfs/dbraw/zinc/15/19/11/323151911.db2.gz DWBYTMOKSKSADM-STQMWFEESA-N 2 0 225.380 0.965 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH2+]C(C)C ZINC000577269470 365908433 /nfs/dbraw/zinc/90/84/33/365908433.db2.gz NGVPOAUYQJZUDQ-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000394885579 323152721 /nfs/dbraw/zinc/15/27/21/323152721.db2.gz PPJLKSIMKGTZOX-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP [NH3+]CCCCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000070202137 349976447 /nfs/dbraw/zinc/97/64/47/349976447.db2.gz HJRZDFLAQROHNF-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP CCN(C)C[C@H](O)C[N@@H+]1CC[C@H](C)C1 ZINC000308534947 347820272 /nfs/dbraw/zinc/82/02/72/347820272.db2.gz RQCGDSOFFZCYPT-QWRGUYRKSA-N 2 0 200.326 0.641 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000592853318 347823502 /nfs/dbraw/zinc/82/35/02/347823502.db2.gz GVARSXSELWTKQL-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000592853346 347823684 /nfs/dbraw/zinc/82/36/84/347823684.db2.gz GVARSXSELWTKQL-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP C[C@H](CNC(=O)CCCC[NH3+])C[NH+]1CCCC1 ZINC000070203739 349977107 /nfs/dbraw/zinc/97/71/07/349977107.db2.gz KKHJPTXFVUAETF-GFCCVEGCSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@@H](C(=O)NC[C@H]1CC[N@H+](C)C1)N1CC(C)C1 ZINC000577386874 365941556 /nfs/dbraw/zinc/94/15/56/365941556.db2.gz VUKYAYHFGWIPMG-NWDGAFQWSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@@H](C(=O)N(C)Cc1ncc[nH]1)N1CC(C)C1 ZINC000577386359 365941733 /nfs/dbraw/zinc/94/17/33/365941733.db2.gz PQRUOJUJSOZQMT-JTQLQIEISA-N 2 0 236.319 0.708 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[C@H]1C[NH3+] ZINC000367383513 187382526 /nfs/dbraw/zinc/38/25/26/187382526.db2.gz CEIZLOWGVRZDCJ-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000368112108 187384249 /nfs/dbraw/zinc/38/42/49/187384249.db2.gz BEOACKSFXWUMIY-MNOVXSKESA-N 2 0 225.336 0.052 20 0 BCADRP C[N@H+](CCC(C)(C)C)CC(=O)N1CC[NH2+]CC1 ZINC000038031481 348031200 /nfs/dbraw/zinc/03/12/00/348031200.db2.gz DAQIVMAFISYZPX-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000294779872 179342578 /nfs/dbraw/zinc/34/25/78/179342578.db2.gz NRKYTYQWHWOKJK-YPMHNXCESA-N 2 0 247.342 0.945 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371232240 187385742 /nfs/dbraw/zinc/38/57/42/187385742.db2.gz RJCCOINWTYFPAV-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP COCC[C@H](C)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397080127 362851113 /nfs/dbraw/zinc/85/11/13/362851113.db2.gz FWKUSCYERZBADE-JTQLQIEISA-N 2 0 216.325 0.197 20 0 BCADRP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]1CCCO ZINC000336655865 187393570 /nfs/dbraw/zinc/39/35/70/187393570.db2.gz ACGBEFVLMULKDP-SNVBAGLBSA-N 2 0 200.326 0.961 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000335593899 187393810 /nfs/dbraw/zinc/39/38/10/187393810.db2.gz ONZAVCSKTLHJLF-HBIQZDMRSA-N 2 0 239.363 0.761 20 0 BCADRP COC(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000308984114 323183500 /nfs/dbraw/zinc/18/35/00/323183500.db2.gz GAOBHQADWPXZIJ-NXEZZACHSA-N 2 0 212.293 0.091 20 0 BCADRP C[C@@H](CCO)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000397791885 362913114 /nfs/dbraw/zinc/91/31/14/362913114.db2.gz SRDIIACUJRECFH-OLZOCXBDSA-N 2 0 244.379 0.441 20 0 BCADRP COC(=O)C12CC(C1)C[N@@H+]2CC[C@H]1CC[NH2+]C1 ZINC000595902781 348395544 /nfs/dbraw/zinc/39/55/44/348395544.db2.gz OGZOXOVWZINJJF-XSRFYTQQSA-N 2 0 238.331 0.623 20 0 BCADRP COC(=O)C12CC(C1)C[N@@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000595902782 348395551 /nfs/dbraw/zinc/39/55/51/348395551.db2.gz OGZOXOVWZINJJF-ZBOXLXRLSA-N 2 0 238.331 0.623 20 0 BCADRP CCOC(=O)C12CC(C1)CN2CCC[NH3+] ZINC000595904676 348396178 /nfs/dbraw/zinc/39/61/78/348396178.db2.gz KKKHRNVWRONUIH-UHFFFAOYSA-N 2 0 212.293 0.363 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595950318 348403590 /nfs/dbraw/zinc/40/35/90/348403590.db2.gz KQGFXGXKQQSIEI-ZJUUUORDSA-N 2 0 247.408 0.556 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000345764308 535074872 /nfs/dbraw/zinc/07/48/72/535074872.db2.gz ISASQLQYULDVFB-DMDPSCGWSA-N 2 0 241.379 0.994 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](Cc2cnc(C)n2C)C1 ZINC000596981369 348643003 /nfs/dbraw/zinc/64/30/03/348643003.db2.gz MLKCAVIKMMNNBB-SNVBAGLBSA-N 2 0 237.303 0.723 20 0 BCADRP C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)OCC1CC1 ZINC000308816573 348709795 /nfs/dbraw/zinc/70/97/95/348709795.db2.gz FGTAJBZQDABAHL-RYUDHWBXSA-N 2 0 210.321 0.564 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000054071506 348873953 /nfs/dbraw/zinc/87/39/53/348873953.db2.gz PDFUUMMNVJSCNG-NSHDSACASA-N 2 0 229.368 0.829 20 0 BCADRP CCC[NH+]1CCC(N(C)C(=O)[C@H](C)[NH2+]C)CC1 ZINC000054075706 348877734 /nfs/dbraw/zinc/87/77/34/348877734.db2.gz WXYZKQFOEZUKLV-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP CCC[N@H+](C)C[C@@H](O)CN(C)CCOC ZINC000308865466 348979973 /nfs/dbraw/zinc/97/99/73/348979973.db2.gz QOSWHQVPLABAKB-LLVKDONJSA-N 2 0 218.341 0.267 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000082920371 349094095 /nfs/dbraw/zinc/09/40/95/349094095.db2.gz JHTPKFYUIGVNHV-MNOVXSKESA-N 2 0 225.336 0.278 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000616571882 349061071 /nfs/dbraw/zinc/06/10/71/349061071.db2.gz IRSUEBFAHCUGQL-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000247307245 349116647 /nfs/dbraw/zinc/11/66/47/349116647.db2.gz QEWQMEOCXIVSER-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449569051 201974266 /nfs/dbraw/zinc/97/42/66/201974266.db2.gz FQVYCKWVOHHXAJ-MYJAWHEDSA-N 2 0 225.336 0.086 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])CC(C)C ZINC000308924244 349129300 /nfs/dbraw/zinc/12/93/00/349129300.db2.gz CVNYTZOBEZKMQO-DTWKUNHWSA-N 2 0 201.314 0.213 20 0 BCADRP COC(=O)CCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000599268756 349136302 /nfs/dbraw/zinc/13/63/02/349136302.db2.gz ICJABZQKJIJFLA-QWRGUYRKSA-N 2 0 226.320 0.481 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251857560 349192451 /nfs/dbraw/zinc/19/24/51/349192451.db2.gz SDCNCXXKNWAFLQ-NXEZZACHSA-N 2 0 214.309 0.609 20 0 BCADRP CCCCNC(=O)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000249903131 349165783 /nfs/dbraw/zinc/16/57/83/349165783.db2.gz XFHSPAQFBQJSAM-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@H](C)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000251791040 349191496 /nfs/dbraw/zinc/19/14/96/349191496.db2.gz JURYBWYOUHFJQX-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](C)O)C1 ZINC000250507750 349174364 /nfs/dbraw/zinc/17/43/64/349174364.db2.gz AHRNZIAWHHVKHU-NWDGAFQWSA-N 2 0 214.353 0.935 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)C[NH3+])C1 ZINC000250522427 349175262 /nfs/dbraw/zinc/17/52/62/349175262.db2.gz TYXWYLDIRDPVBW-MNOVXSKESA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2COCCN2)CC[N@@H+]1C ZINC000530222439 323218632 /nfs/dbraw/zinc/21/86/32/323218632.db2.gz NDXCEAYPBHDMNI-WOPDTQHZSA-N 2 0 227.352 0.047 20 0 BCADRP CC(C)C[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000055083624 349289590 /nfs/dbraw/zinc/28/95/90/349289590.db2.gz UZLMVWIZMPVOFW-UHFFFAOYSA-N 2 0 213.369 0.997 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662968192 490248645 /nfs/dbraw/zinc/24/86/45/490248645.db2.gz GOCMIKOIHRTRKI-GDPRMGEGSA-N 2 0 225.336 0.241 20 0 BCADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]C)[NH+](CC)CC ZINC000662965692 490244263 /nfs/dbraw/zinc/24/42/63/490244263.db2.gz LSKLDLRORUXBFA-QWRGUYRKSA-N 2 0 229.368 0.831 20 0 BCADRP COC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309005882 349285175 /nfs/dbraw/zinc/28/51/75/349285175.db2.gz NBLALNCXZVEGQL-LPEHRKFASA-N 2 0 212.293 0.089 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@H](C)C[NH3+] ZINC000309022969 349316502 /nfs/dbraw/zinc/31/65/02/349316502.db2.gz YIXYMFAFEDKMGA-RKDXNWHRSA-N 2 0 201.314 0.215 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H](C)C[NH3+] ZINC000309022967 349316510 /nfs/dbraw/zinc/31/65/10/349316510.db2.gz YIXYMFAFEDKMGA-DTWKUNHWSA-N 2 0 201.314 0.215 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000070618712 350031823 /nfs/dbraw/zinc/03/18/23/350031823.db2.gz POXJELQFAFFRGP-LBPRGKRZSA-N 2 0 225.336 0.339 20 0 BCADRP [NH3+]CCCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070502899 350016228 /nfs/dbraw/zinc/01/62/28/350016228.db2.gz IGPOHJPQEFNWFZ-ZJUUUORDSA-N 2 0 213.325 0.359 20 0 BCADRP [NH3+]CCc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC000070541709 350018596 /nfs/dbraw/zinc/01/85/96/350018596.db2.gz VXUDUDQRGSPXCV-UHFFFAOYSA-N 2 0 233.315 0.233 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000603906959 350049299 /nfs/dbraw/zinc/04/92/99/350049299.db2.gz CXBNLFOOUBVIHR-RYUDHWBXSA-N 2 0 239.363 0.491 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000422608723 192429411 /nfs/dbraw/zinc/42/94/11/192429411.db2.gz MXTQEWOUYLXVKJ-SNVBAGLBSA-N 2 0 242.367 0.555 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CCCC(=O)OC)C1 ZINC000070799613 350060403 /nfs/dbraw/zinc/06/04/03/350060403.db2.gz LUIQQXOGLCPURO-JTQLQIEISA-N 2 0 214.309 0.481 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000563106906 350062475 /nfs/dbraw/zinc/06/24/75/350062475.db2.gz UIWMTXXQXRCIDW-NSHDSACASA-N 2 0 227.352 0.585 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000563106884 350062789 /nfs/dbraw/zinc/06/27/89/350062789.db2.gz QOKQSXADFZVKGR-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP CCn1ccnc1CN(C)[C@@H]1CC[NH2+]C1 ZINC000070896134 350070881 /nfs/dbraw/zinc/07/08/81/350070881.db2.gz NEZGLYNTDMTJHG-SNVBAGLBSA-N 2 0 208.309 0.697 20 0 BCADRP Cc1noc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000383999920 350106313 /nfs/dbraw/zinc/10/63/13/350106313.db2.gz MSJGEDKQORTFJL-PHIMTYICSA-N 2 0 236.319 0.809 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@H](C)C[NH3+] ZINC000309151719 350107718 /nfs/dbraw/zinc/10/77/18/350107718.db2.gz WMDQATMUDUNCJI-SCZZXKLOSA-N 2 0 201.314 0.215 20 0 BCADRP COCCN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604389818 350119271 /nfs/dbraw/zinc/11/92/71/350119271.db2.gz VOWFLQIDHVTESV-CYBMUJFWSA-N 2 0 241.379 0.345 20 0 BCADRP C=Cn1cc(C[NH2+]CCOCC[NH+](C)C)cn1 ZINC000219396629 350125363 /nfs/dbraw/zinc/12/53/63/350125363.db2.gz LRSPSNQJKCEJMK-UHFFFAOYSA-N 2 0 238.335 0.651 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000219997396 350154634 /nfs/dbraw/zinc/15/46/34/350154634.db2.gz GMFQYOXQIFXQJW-MWLCHTKSSA-N 2 0 227.352 0.569 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC(F)(F)CN ZINC000427152003 191055035 /nfs/dbraw/zinc/05/50/35/191055035.db2.gz GWLQCLQYJAINGA-SECBINFHSA-N 2 0 249.305 0.571 20 0 BCADRP [NH3+]C1(C(=O)NC2CC[NH2+]CC2)CCCC1 ZINC000309589672 490358212 /nfs/dbraw/zinc/35/82/12/490358212.db2.gz YMUZORQNOXMFLH-UHFFFAOYSA-N 2 0 211.309 0.126 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000428441433 191072939 /nfs/dbraw/zinc/07/29/39/191072939.db2.gz VYKAOQSZUBUYSV-SDDRHHMPSA-N 2 0 239.363 0.680 20 0 BCADRP [NH3+]CC1(CCNC(=O)C2(C[NH3+])CCCC2)CC1 ZINC000653216246 490390572 /nfs/dbraw/zinc/39/05/72/490390572.db2.gz VBVMOXZMMJLOOD-UHFFFAOYSA-N 2 0 239.363 0.751 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C)C[C@@H]1C ZINC000230191469 490388104 /nfs/dbraw/zinc/38/81/04/490388104.db2.gz XIUJSVBFFLOZJB-DCAQKATOSA-N 2 0 225.336 0.147 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000427576582 191081419 /nfs/dbraw/zinc/08/14/19/191081419.db2.gz DXFSGAQXWGNLAJ-MNOVXSKESA-N 2 0 241.379 0.866 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000427604378 191083720 /nfs/dbraw/zinc/08/37/20/191083720.db2.gz PBJYPOAVNGOWLW-GARJFASQSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CC[NH2+]C1)[NH+](CC)CC ZINC000428207156 191092131 /nfs/dbraw/zinc/09/21/31/191092131.db2.gz UTVUPKFVPSRNTB-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COC)[C@@H](C)C1 ZINC000223730935 350285374 /nfs/dbraw/zinc/28/53/74/350285374.db2.gz MFRHOGXEXLBVKN-TUAOUCFPSA-N 2 0 230.352 0.314 20 0 BCADRP C[C@@H](CNC(=O)C[NH3+])C[NH+]1CCCCC1 ZINC000038042222 350302605 /nfs/dbraw/zinc/30/26/05/350302605.db2.gz SOFCBKDJPVLFIU-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000309374109 350362308 /nfs/dbraw/zinc/36/23/08/350362308.db2.gz CLAIRBCCZXSPOU-NXEZZACHSA-N 2 0 213.325 0.311 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000309392269 350366546 /nfs/dbraw/zinc/36/65/46/350366546.db2.gz GBFRWWVPSGYLKZ-KOLCDFICSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@]1(C(=O)NCC2([NH3+])CCC2)CCC[NH2+]1 ZINC000309404569 350371399 /nfs/dbraw/zinc/37/13/99/350371399.db2.gz HUJHAYJAJBKSJB-JTQLQIEISA-N 2 0 211.309 0.126 20 0 BCADRP CC[NH+]1CCC(NC(=O)CC[C@@H](C)[NH3+])CC1 ZINC000069839641 350413410 /nfs/dbraw/zinc/41/34/10/350413410.db2.gz RQRPCJIJIUVPQI-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@H](C)[NH+](C)C ZINC000069839632 350413579 /nfs/dbraw/zinc/41/35/79/350413579.db2.gz FVVCLOQAAGLVKV-BDAKNGLRSA-N 2 0 201.314 0.180 20 0 BCADRP COCC[C@H](COC)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000309346271 323344952 /nfs/dbraw/zinc/34/49/52/323344952.db2.gz MGWHAXDDANLPHV-SDDRHHMPSA-N 2 0 230.352 0.897 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[NH2+]C1CC1 ZINC000637339607 350465808 /nfs/dbraw/zinc/46/58/08/350465808.db2.gz KRAAQNSBPQUUGX-ONGXEEELSA-N 2 0 240.351 0.036 20 0 BCADRP C[C@@H]1CN(C(=O)NCC[NH2+]C2CC2)[C@@H](C)C[NH2+]1 ZINC000637340010 350465822 /nfs/dbraw/zinc/46/58/22/350465822.db2.gz NMPDGDKOMBCEHI-ZJUUUORDSA-N 2 0 240.351 0.130 20 0 BCADRP Cc1nn(C)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC000020315714 180372231 /nfs/dbraw/zinc/37/22/31/180372231.db2.gz BIOPZQXAQOTBEE-UHFFFAOYSA-N 2 0 222.336 0.899 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)NCC[NH2+]C1CC1 ZINC000637349019 350471275 /nfs/dbraw/zinc/47/12/75/350471275.db2.gz XNIHRMHMHLAITF-UHFFFAOYSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000428151113 191105986 /nfs/dbraw/zinc/10/59/86/191105986.db2.gz PHYILMJHJZDHGR-TUAOUCFPSA-N 2 0 239.363 0.857 20 0 BCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@H](C)[NH3+])C1 ZINC000261869159 535134880 /nfs/dbraw/zinc/13/48/80/535134880.db2.gz QIEXGJJUAGSVNN-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP CN(C[C@@H](O)C[NH2+]C[C@H]1CCCS1)C1CC1 ZINC000381023649 350498160 /nfs/dbraw/zinc/49/81/60/350498160.db2.gz XDCYDVQXFGSKQA-NWDGAFQWSA-N 2 0 244.404 0.927 20 0 BCADRP CCC[NH+]1CCC([NH2+]C[C@H](O)COC)CC1 ZINC000070558912 350537948 /nfs/dbraw/zinc/53/79/48/350537948.db2.gz REOKDOMBTXZANJ-LBPRGKRZSA-N 2 0 230.352 0.458 20 0 BCADRP CO[C@@H](C)[C@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000577499458 365970821 /nfs/dbraw/zinc/97/08/21/365970821.db2.gz LSOOLYDMATUIAS-UWVGGRQHSA-N 2 0 200.326 0.999 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000163561895 350526223 /nfs/dbraw/zinc/52/62/23/350526223.db2.gz SSJYOSWTJZRVBR-NSHDSACASA-N 2 0 231.315 0.144 20 0 BCADRP CC[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062910955 350562933 /nfs/dbraw/zinc/56/29/33/350562933.db2.gz HYAPXIKKELUZGC-LBPRGKRZSA-N 2 0 211.353 0.624 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000309474416 350563033 /nfs/dbraw/zinc/56/30/33/350563033.db2.gz RPYRHMRBQRAHPP-LPEHRKFASA-N 2 0 213.325 0.371 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094647644 350598457 /nfs/dbraw/zinc/59/84/57/350598457.db2.gz AFZNZXOUAQGLLL-QJPTWQEYSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)CS(C)(=O)=O ZINC000665281230 490689317 /nfs/dbraw/zinc/68/93/17/490689317.db2.gz XVQAOKFJJBWWTE-NXEZZACHSA-N 2 0 236.381 0.383 20 0 BCADRP C[NH2+]CCC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000309526202 350703356 /nfs/dbraw/zinc/70/33/56/350703356.db2.gz AWRLWBXYSZCAQB-JTQLQIEISA-N 2 0 213.325 0.102 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)[C@H](C)O1 ZINC000384961217 350677784 /nfs/dbraw/zinc/67/77/84/350677784.db2.gz SEGPEPQCIZIWOF-WOPDTQHZSA-N 2 0 230.352 0.720 20 0 BCADRP CC[NH2+]CCCNC(=O)C1CC[NH2+]CC1 ZINC000309547555 350745865 /nfs/dbraw/zinc/74/58/65/350745865.db2.gz CHOOGJBCJKOOES-UHFFFAOYSA-N 2 0 213.325 0.102 20 0 BCADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000237882349 350756155 /nfs/dbraw/zinc/75/61/55/350756155.db2.gz DVFFZCHNPXTMHR-ZDUSSCGKSA-N 2 0 247.342 0.726 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000577608210 366016153 /nfs/dbraw/zinc/01/61/53/366016153.db2.gz ZGGUAHJFZAASGR-MNOVXSKESA-N 2 0 227.352 0.490 20 0 BCADRP CC[NH2+]CCCNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000584340777 351039996 /nfs/dbraw/zinc/03/99/96/351039996.db2.gz IGLOFDLUVREIPC-UHFFFAOYSA-N 2 0 244.383 0.612 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079510843 351066796 /nfs/dbraw/zinc/06/67/96/351066796.db2.gz VHGUZROTXQGOLP-ZDUSSCGKSA-N 2 0 241.379 0.977 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000365093499 191131056 /nfs/dbraw/zinc/13/10/56/191131056.db2.gz LCXLZRMRPZXILZ-NTZNESFSSA-N 2 0 239.363 0.700 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000079515870 351070257 /nfs/dbraw/zinc/07/02/57/351070257.db2.gz BTBGHFPGLBMUSQ-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079518693 351071255 /nfs/dbraw/zinc/07/12/55/351071255.db2.gz WCWYTLSXFBDRLY-ZDUSSCGKSA-N 2 0 239.363 0.729 20 0 BCADRP [NH3+]CCN1CC[NH2+]C[C@H]1c1ccccc1F ZINC000616636098 351124031 /nfs/dbraw/zinc/12/40/31/351124031.db2.gz RFAFEOOMRUBJKI-LBPRGKRZSA-N 2 0 223.295 0.731 20 0 BCADRP CC1(C)CCC[N@@H+]1CCNC1=[NH+]CCCN1 ZINC000414360336 351162071 /nfs/dbraw/zinc/16/20/71/351162071.db2.gz NCQJKZLPHVBQGB-UHFFFAOYSA-N 2 0 224.352 0.800 20 0 BCADRP CN(C(=O)CC1([NH3+])CC1)[C@H]1C[NH+]2CCC1CC2 ZINC000398111776 363012780 /nfs/dbraw/zinc/01/27/80/363012780.db2.gz XKYJKQXKHKSARV-NSHDSACASA-N 2 0 237.347 0.420 20 0 BCADRP COCC[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000380187374 351380986 /nfs/dbraw/zinc/38/09/86/351380986.db2.gz PLSPYENFXPVFQE-QWHCGFSZSA-N 2 0 241.379 0.391 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000571999320 323520199 /nfs/dbraw/zinc/52/01/99/323520199.db2.gz GQIQGOLSLUPKBE-TUAOUCFPSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000572030470 323527467 /nfs/dbraw/zinc/52/74/67/323527467.db2.gz SWJJANUUVPJUDH-HTQZYQBOSA-N 2 0 201.314 0.071 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000572157271 323553853 /nfs/dbraw/zinc/55/38/53/323553853.db2.gz LSAKFAQYUPCAPF-XHNCKOQMSA-N 2 0 231.365 0.015 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000637802760 351635586 /nfs/dbraw/zinc/63/55/86/351635586.db2.gz UCLDABDGJTTZMC-OUAUKWLOSA-N 2 0 225.336 0.276 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]([NH3+])CCC(C)C)C1 ZINC000637802734 351635708 /nfs/dbraw/zinc/63/57/08/351635708.db2.gz UBCPXUBNRWEICV-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000637817315 351661397 /nfs/dbraw/zinc/66/13/97/351661397.db2.gz SPHUMABSBSDXII-WDEREUQCSA-N 2 0 223.320 0.292 20 0 BCADRP C[C@H](NC(=O)CCC1C[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000637820866 351661419 /nfs/dbraw/zinc/66/14/19/351661419.db2.gz QJINLMVSMMSFJS-JQWIXIFHSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]C1(CNC(=O)CCC2C[NH2+]C2)CCCCC1 ZINC000637800869 351636912 /nfs/dbraw/zinc/63/69/12/351636912.db2.gz IWPQWPIVWXWFPJ-UHFFFAOYSA-N 2 0 239.363 0.764 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC000637800855 351637308 /nfs/dbraw/zinc/63/73/08/351637308.db2.gz ISJZFSWSSWZDAW-JTQLQIEISA-N 2 0 227.352 0.762 20 0 BCADRP COc1cccc([C@@H]([NH3+])C(=O)N2CC[NH2+]CC2)c1 ZINC000637802602 351638106 /nfs/dbraw/zinc/63/81/06/351638106.db2.gz WYPNHPTXXVNINT-GFCCVEGCSA-N 2 0 249.314 0.127 20 0 BCADRP C[C@H](NC(=O)CCC1C[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000637820865 351661616 /nfs/dbraw/zinc/66/16/16/351661616.db2.gz QJINLMVSMMSFJS-CMPLNLGQSA-N 2 0 239.363 0.490 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC(C[NH3+])CC1 ZINC000637804127 351640452 /nfs/dbraw/zinc/64/04/52/351640452.db2.gz MOZMQOJCWBKEAI-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000637806104 351642786 /nfs/dbraw/zinc/64/27/86/351642786.db2.gz OQPMCQTUWARHKZ-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CCC1C[NH2+]C1 ZINC000637806270 351643053 /nfs/dbraw/zinc/64/30/53/351643053.db2.gz QRSMNHXDSNCSSI-ZYHUDNBSSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000637807414 351644304 /nfs/dbraw/zinc/64/43/04/351644304.db2.gz WSQRYVBIJMXEPP-SNVBAGLBSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH+](C)CC1(C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000637804973 351644600 /nfs/dbraw/zinc/64/46/00/351644600.db2.gz VLFXAQOGMGXSFD-UHFFFAOYSA-N 2 0 239.363 0.526 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H](C)[NH2+]CC ZINC000637809012 351645235 /nfs/dbraw/zinc/64/52/35/351645235.db2.gz JCHOBQFURIGFJX-SECBINFHSA-N 2 0 201.314 0.100 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]([NH3+])CCC(C)C ZINC000637809365 351646356 /nfs/dbraw/zinc/64/63/56/351646356.db2.gz VYIBCSXRPVJJNH-NSHDSACASA-N 2 0 229.368 0.866 20 0 BCADRP CC[C@@H](C(=O)N(C)C1CC[NH2+]CC1)[NH+](C)C ZINC000637809424 351646362 /nfs/dbraw/zinc/64/63/62/351646362.db2.gz QFTLVKMOHWPWCW-NSHDSACASA-N 2 0 227.352 0.537 20 0 BCADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH2+]CC1 ZINC000637810459 351651173 /nfs/dbraw/zinc/65/11/73/351651173.db2.gz GGSJIGOOWBLNLK-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000637811336 351652373 /nfs/dbraw/zinc/65/23/73/351652373.db2.gz JVYIVXPRJAUNGW-GARJFASQSA-N 2 0 225.336 0.195 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C1)C12CCC[NH+](CCC1)C2 ZINC000637811425 351652940 /nfs/dbraw/zinc/65/29/40/351652940.db2.gz KZZNLWYXJPCVRM-NSHDSACASA-N 2 0 237.347 0.341 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637816402 351655531 /nfs/dbraw/zinc/65/55/31/351655531.db2.gz LEZLLCIDKVDKBQ-UWVGGRQHSA-N 2 0 213.325 0.243 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637816403 351656027 /nfs/dbraw/zinc/65/60/27/351656027.db2.gz LEZLLCIDKVDKBQ-VHSXEESVSA-N 2 0 213.325 0.243 20 0 BCADRP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000637813968 351657609 /nfs/dbraw/zinc/65/76/09/351657609.db2.gz HFZHNTOEYIUROS-NSHDSACASA-N 2 0 239.363 0.444 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC1CCC([NH3+])CC1 ZINC000637818071 351658364 /nfs/dbraw/zinc/65/83/64/351658364.db2.gz AGGXNSPHIOHVKG-XNWIYYODSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@H](C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000637819701 351659819 /nfs/dbraw/zinc/65/98/19/351659819.db2.gz KPCSAAQVPYWGFM-AXFHLTTASA-N 2 0 227.352 0.441 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000637820469 351660489 /nfs/dbraw/zinc/66/04/89/351660489.db2.gz OERKTNADVBWJLP-AXFHLTTASA-N 2 0 227.352 0.489 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000353428342 351619703 /nfs/dbraw/zinc/61/97/03/351619703.db2.gz MTABPHWXIWPESL-UTUOFQBUSA-N 2 0 241.379 0.735 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000637830278 351679039 /nfs/dbraw/zinc/67/90/39/351679039.db2.gz XRCZXGCCHKLZBQ-NXEZZACHSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H](C(=O)N1CCC([C@H](C)[NH3+])CC1)[NH+](C)C ZINC000637830372 351679939 /nfs/dbraw/zinc/67/99/39/351679939.db2.gz XRCZXGCCHKLZBQ-VHSXEESVSA-N 2 0 227.352 0.522 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000637832119 351681092 /nfs/dbraw/zinc/68/10/92/351681092.db2.gz HSSNTJYDTHIWPF-PWSUYJOCSA-N 2 0 235.331 0.801 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000637832722 351682154 /nfs/dbraw/zinc/68/21/54/351682154.db2.gz JZAAJTRNLSQUTL-ONGXEEELSA-N 2 0 223.320 0.150 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NC(C)(C)C[NH3+])CC[N@@H+]1C ZINC000637830980 351683811 /nfs/dbraw/zinc/68/38/11/351683811.db2.gz LPVJBASJYHBYSD-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]CC1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000637835248 351685481 /nfs/dbraw/zinc/68/54/81/351685481.db2.gz NRIKPOVHKLUYEI-LBPRGKRZSA-N 2 0 237.347 0.492 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000637834599 351688819 /nfs/dbraw/zinc/68/88/19/351688819.db2.gz YICNFYWZAJZFGV-UWVGGRQHSA-N 2 0 213.325 0.100 20 0 BCADRP [NH3+][C@@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000637834424 351689072 /nfs/dbraw/zinc/68/90/72/351689072.db2.gz ZAQDMUQMICNMDY-OLZOCXBDSA-N 2 0 245.326 0.850 20 0 BCADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH2+]C1 ZINC000637837300 351691436 /nfs/dbraw/zinc/69/14/36/351691436.db2.gz CYNMAIOTCHDECJ-QWRGUYRKSA-N 2 0 225.336 0.291 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CCC1C[NH2+]C1 ZINC000637849661 351706967 /nfs/dbraw/zinc/70/69/67/351706967.db2.gz QKSMVOFXOSVQSG-ZDUSSCGKSA-N 2 0 241.379 0.866 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000637849105 351706969 /nfs/dbraw/zinc/70/69/69/351706969.db2.gz WKAOSFDMCJXEEA-GMTAPVOTSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000637838631 351693657 /nfs/dbraw/zinc/69/36/57/351693657.db2.gz ACCWZECUGFIBTN-GRYCIOLGSA-N 2 0 241.379 0.959 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000637838476 351693784 /nfs/dbraw/zinc/69/37/84/351693784.db2.gz YAAKJWXRXVKGKF-SECBINFHSA-N 2 0 237.303 0.481 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[NH+](C)C ZINC000637850746 351708073 /nfs/dbraw/zinc/70/80/73/351708073.db2.gz CAOWZOSJFCGXCJ-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000637840462 351695634 /nfs/dbraw/zinc/69/56/34/351695634.db2.gz JCBZRXBRAYCVTP-QWRGUYRKSA-N 2 0 225.336 0.291 20 0 BCADRP [NH3+]CC1(NC(=O)C2=CC[C@H]([NH3+])C2)CCCC1 ZINC000637841158 351697067 /nfs/dbraw/zinc/69/70/67/351697067.db2.gz RIFKPGQXHHVIDG-JTQLQIEISA-N 2 0 223.320 0.422 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH3+])C(C)C)CC[N@@H+]1C ZINC000637850110 351707301 /nfs/dbraw/zinc/70/73/01/351707301.db2.gz STLCPRIAWNJFGN-SDDRHHMPSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000637842355 351698866 /nfs/dbraw/zinc/69/88/66/351698866.db2.gz QPHMLZULCGAKQZ-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000637843622 351702270 /nfs/dbraw/zinc/70/22/70/351702270.db2.gz FOCUKMJHRHARQB-UWVGGRQHSA-N 2 0 215.341 0.474 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000637843845 351703151 /nfs/dbraw/zinc/70/31/51/351703151.db2.gz ZKJLHPNAKAFGJQ-AAEUAGOBSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000637847749 351703820 /nfs/dbraw/zinc/70/38/20/351703820.db2.gz CLAKEUVVXSGXPF-WDEREUQCSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]1CCCN(C(=O)CCC2C[NH2+]C2)[C@@H]1C[NH3+] ZINC000637847694 351703829 /nfs/dbraw/zinc/70/38/29/351703829.db2.gz OPQFPEGJBQIIRN-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000637846071 351704738 /nfs/dbraw/zinc/70/47/38/351704738.db2.gz URKTZWSUTCERAJ-UTUOFQBUSA-N 2 0 241.379 0.946 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000637822651 351667566 /nfs/dbraw/zinc/66/75/66/351667566.db2.gz MXUHVPUDKJTSSN-QWRGUYRKSA-N 2 0 223.320 0.244 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC000637823491 351667973 /nfs/dbraw/zinc/66/79/73/351667973.db2.gz JCMGDOMUDXTNAJ-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]([NH3+])CCC(C)C ZINC000637826645 351673992 /nfs/dbraw/zinc/67/39/92/351673992.db2.gz VTTVAEQNKXYMHM-JTQLQIEISA-N 2 0 215.341 0.476 20 0 BCADRP CC[NH2+]CCNC(=O)c1oc(C[NH3+])cc1C ZINC000637826633 351674064 /nfs/dbraw/zinc/67/40/64/351674064.db2.gz VCJJZAPJZLSHLZ-UHFFFAOYSA-N 2 0 225.292 0.386 20 0 BCADRP CC[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000637826906 351674710 /nfs/dbraw/zinc/67/47/10/351674710.db2.gz JMNFRDPURYLTHM-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000637828232 351675092 /nfs/dbraw/zinc/67/50/92/351675092.db2.gz XUZZKQILUIRWSW-LLVKDONJSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000637827251 351675847 /nfs/dbraw/zinc/67/58/47/351675847.db2.gz OILSMQLDMDMKFD-WDEREUQCSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@H](C(=O)N1CC[NH2+]CC1(C)C)[NH+](C)C ZINC000637857580 351717599 /nfs/dbraw/zinc/71/75/99/351717599.db2.gz RDINWEXEBCKKHZ-SNVBAGLBSA-N 2 0 227.352 0.537 20 0 BCADRP CC(C)([NH3+])CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000637857495 351718110 /nfs/dbraw/zinc/71/81/10/351718110.db2.gz LDSWSRSLSSXKFL-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000637860876 351722055 /nfs/dbraw/zinc/72/20/55/351722055.db2.gz DWOOPYBNHCTRBJ-GHMZBOCLSA-N 2 0 229.368 0.816 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000637861634 351722928 /nfs/dbraw/zinc/72/29/28/351722928.db2.gz HRUMYHHXYFIESY-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C1(C[NH+](C)C)CC1 ZINC000637866147 351726402 /nfs/dbraw/zinc/72/64/02/351726402.db2.gz IRACURXNVFSHJN-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](C)[NH+](C)C ZINC000637866541 351726474 /nfs/dbraw/zinc/72/64/74/351726474.db2.gz MTUXYRCWOKQNBN-ZJUUUORDSA-N 2 0 215.341 0.570 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H](C)[NH2+]CC ZINC000637866659 351727542 /nfs/dbraw/zinc/72/75/42/351727542.db2.gz OSKKQRWPYRJOLP-UWVGGRQHSA-N 2 0 215.341 0.618 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000577750141 366053643 /nfs/dbraw/zinc/05/36/43/366053643.db2.gz UUDHIQZAGJYTDU-GFCCVEGCSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](C(=O)NC[C@]1(C)CCC[NH2+]C1)C1C[NH2+]C1 ZINC000577750132 366053689 /nfs/dbraw/zinc/05/36/89/366053689.db2.gz UONGSQQPOIKCTN-GXFFZTMASA-N 2 0 239.363 0.348 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)CCC1C[NH2+]C1 ZINC000637853711 351709755 /nfs/dbraw/zinc/70/97/55/351709755.db2.gz WZKFALSZWCBCMX-LBPRGKRZSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C1(C[NH+](C)C)CC1 ZINC000637851881 351710325 /nfs/dbraw/zinc/71/03/25/351710325.db2.gz KTVYHQMTNLEBGI-GFCCVEGCSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000637851651 351710499 /nfs/dbraw/zinc/71/04/99/351710499.db2.gz JXCSNWHXMWBJJS-AAEUAGOBSA-N 2 0 241.379 0.818 20 0 BCADRP CN(CCC[NH3+])C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000637854242 351713020 /nfs/dbraw/zinc/71/30/20/351713020.db2.gz FSFWLBVFYNPGKM-SNVBAGLBSA-N 2 0 213.325 0.135 20 0 BCADRP CC[C@@H](C(=O)N[C@H](C[NH3+])C1CC1)[NH+](C)C ZINC000637854134 351713144 /nfs/dbraw/zinc/71/31/44/351713144.db2.gz DKOBTHMEOADOKD-ZJUUUORDSA-N 2 0 213.325 0.180 20 0 BCADRP CC[NH+](CC)CCNC(=O)CCC1C[NH2+]C1 ZINC000638047633 351924782 /nfs/dbraw/zinc/92/47/82/351924782.db2.gz RWZQOVKNHCMZHP-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP CC[NH+]1CCC(NC(=O)CCC2C[NH2+]C2)CC1 ZINC000638051642 351928863 /nfs/dbraw/zinc/92/88/63/351928863.db2.gz NMBAFPKSPBBQLP-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000638051852 351929344 /nfs/dbraw/zinc/92/93/44/351929344.db2.gz SWNTWHKVYYHENL-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP CC[NH+]1CCC(NC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638052105 351929458 /nfs/dbraw/zinc/92/94/58/351929458.db2.gz XCSPCNHMAFAVSP-LLVKDONJSA-N 2 0 237.347 0.634 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000638060392 351933202 /nfs/dbraw/zinc/93/32/02/351933202.db2.gz USARXAOVQUNSFO-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000638057417 351933544 /nfs/dbraw/zinc/93/35/44/351933544.db2.gz VQJOYLJUIQKQMA-JTQLQIEISA-N 2 0 239.363 0.727 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000638070704 351942641 /nfs/dbraw/zinc/94/26/41/351942641.db2.gz VFGURGLCWAHFQP-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638071700 351943771 /nfs/dbraw/zinc/94/37/71/351943771.db2.gz HTVHHMDSRPWUSN-ONGXEEELSA-N 2 0 223.320 0.102 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000638072293 351944517 /nfs/dbraw/zinc/94/45/17/351944517.db2.gz MGRJNUMINKYLPK-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)C1(C[NH+](C)C)CC1 ZINC000638144244 352007561 /nfs/dbraw/zinc/00/75/61/352007561.db2.gz MBNMNKSVSCHECH-VIFPVBQESA-N 2 0 213.325 0.039 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000638144931 352007629 /nfs/dbraw/zinc/00/76/29/352007629.db2.gz PQAYMOXSVCUVJF-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638144760 352007642 /nfs/dbraw/zinc/00/76/42/352007642.db2.gz FKPGQVULQWAJOZ-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000638080105 351953356 /nfs/dbraw/zinc/95/33/56/351953356.db2.gz YOXJDFZSBDUCSW-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000638080147 351953637 /nfs/dbraw/zinc/95/36/37/351953637.db2.gz ZLUNTLUXFAXJNZ-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000638081999 351955558 /nfs/dbraw/zinc/95/55/58/351955558.db2.gz RPUDUBBZLCHYJQ-GHMZBOCLSA-N 2 0 235.331 0.387 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000638082289 351956279 /nfs/dbraw/zinc/95/62/79/351956279.db2.gz GULOYBINILUYDY-LBPRGKRZSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NCC1C[NH2+]C1 ZINC000638150418 352011044 /nfs/dbraw/zinc/01/10/44/352011044.db2.gz NNRHDDNDDNWVLK-SNVBAGLBSA-N 2 0 213.325 0.086 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000638085119 351961452 /nfs/dbraw/zinc/96/14/52/351961452.db2.gz JNRPILGNRRUERK-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP CCC[NH2+]CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638146891 352011181 /nfs/dbraw/zinc/01/11/81/352011181.db2.gz JQHUKOMHYSAIHR-SNVBAGLBSA-N 2 0 211.309 0.150 20 0 BCADRP C[C@H]([NH3+])CC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000638091206 351967563 /nfs/dbraw/zinc/96/75/63/351967563.db2.gz RIGWEIMDDGAJRX-VIFPVBQESA-N 2 0 239.323 0.121 20 0 BCADRP CC[N@H+](CCNC(=O)C1=CC[C@H]([NH3+])C1)C1CC1 ZINC000638096587 351977266 /nfs/dbraw/zinc/97/72/66/351977266.db2.gz JZBATHXDWVILRC-NSHDSACASA-N 2 0 237.347 0.634 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000638100250 351980374 /nfs/dbraw/zinc/98/03/74/351980374.db2.gz LNQBVLCPCHTVNF-JQWIXIFHSA-N 2 0 239.363 0.680 20 0 BCADRP CN(C(=O)C1=CC[C@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000638102214 351982278 /nfs/dbraw/zinc/98/22/78/351982278.db2.gz UCQOPOZCGBAZCS-AAEUAGOBSA-N 2 0 249.358 0.729 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000638121797 351995625 /nfs/dbraw/zinc/99/56/25/351995625.db2.gz HJVZTXXRUORSFD-IJLUTSLNSA-N 2 0 241.379 0.926 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)[NH3+])[C@@H](C)C1 ZINC000638123442 351996554 /nfs/dbraw/zinc/99/65/54/351996554.db2.gz OFXGRIOYBZKCSS-SDDRHHMPSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638149973 352013830 /nfs/dbraw/zinc/01/38/30/352013830.db2.gz UUOAKYHSCWBURN-KKZNHRDASA-N 2 0 223.320 0.230 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000638136335 352002912 /nfs/dbraw/zinc/00/29/12/352002912.db2.gz YDEJZEDFWCVKEW-HBNTYKKESA-N 2 0 239.363 0.726 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000638136334 352002932 /nfs/dbraw/zinc/00/29/32/352002932.db2.gz YDEJZEDFWCVKEW-GMTAPVOTSA-N 2 0 239.363 0.726 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000638138571 352003879 /nfs/dbraw/zinc/00/38/79/352003879.db2.gz HUXUXCNNQQKIIQ-KOLCDFICSA-N 2 0 225.336 0.337 20 0 BCADRP O=C(CCC1C[NH2+]C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000638141801 352005238 /nfs/dbraw/zinc/00/52/38/352005238.db2.gz NHQAAAPRVQNWMS-LBPRGKRZSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[NH+](C)C ZINC000638177076 352043133 /nfs/dbraw/zinc/04/31/33/352043133.db2.gz HRRRVSVAOMPLLJ-IVZWLZJFSA-N 2 0 213.325 0.051 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC000638182200 352049165 /nfs/dbraw/zinc/04/91/65/352049165.db2.gz WMKMMNQXERRQIX-WDEREUQCSA-N 2 0 239.363 0.442 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000638194856 352057061 /nfs/dbraw/zinc/05/70/61/352057061.db2.gz JZINNDFBCQYJRL-SNVBAGLBSA-N 2 0 247.342 0.904 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000638194439 352057220 /nfs/dbraw/zinc/05/72/20/352057220.db2.gz APSWZZYERZPULH-WDEREUQCSA-N 2 0 223.320 0.292 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638198810 352062349 /nfs/dbraw/zinc/06/23/49/352062349.db2.gz FZBYAPZPLXUUFT-QWRGUYRKSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000638199075 352062496 /nfs/dbraw/zinc/06/24/96/352062496.db2.gz GUXCDQNPTSXRPJ-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638199874 352063470 /nfs/dbraw/zinc/06/34/70/352063470.db2.gz GCAZKZQJFCOZAW-DVVUODLYSA-N 2 0 223.320 0.148 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638202891 352064038 /nfs/dbraw/zinc/06/40/38/352064038.db2.gz BRTNAXGUJXZYSD-TUAOUCFPSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC000638203770 352065200 /nfs/dbraw/zinc/06/52/00/352065200.db2.gz NQSUHCJBRQSOEN-WDEREUQCSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)CCC2C[NH2+]C2)[C@H]1C ZINC000638203811 352065273 /nfs/dbraw/zinc/06/52/73/352065273.db2.gz HRSBGZBZQYLBGS-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000638201942 352066317 /nfs/dbraw/zinc/06/63/17/352066317.db2.gz NOLLYNXXVTXHSW-BBBLOLIVSA-N 2 0 213.325 0.099 20 0 BCADRP CC[C@@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000638206191 352068350 /nfs/dbraw/zinc/06/83/50/352068350.db2.gz JYWDLUZPZNVTJK-YUSALJHKSA-N 2 0 237.347 0.620 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638208905 352071679 /nfs/dbraw/zinc/07/16/79/352071679.db2.gz WORPMDITRMANRA-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC[NH2+]1 ZINC000638209738 352072264 /nfs/dbraw/zinc/07/22/64/352072264.db2.gz FLJUBMATIJXXNH-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@H+](CC(=O)NCC1C[NH2+]C1)CC(C)(C)C ZINC000638153310 352017695 /nfs/dbraw/zinc/01/76/95/352017695.db2.gz NIKXFKQXLZUHQK-UHFFFAOYSA-N 2 0 227.352 0.300 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000638156138 352019258 /nfs/dbraw/zinc/01/92/58/352019258.db2.gz HCEKUXPUVDGPFG-AEJSXWLSSA-N 2 0 213.325 0.132 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CCC1C[NH2+]C1 ZINC000638157109 352021546 /nfs/dbraw/zinc/02/15/46/352021546.db2.gz BVKHOTHIQPVEPL-VHSXEESVSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC000638159292 352022946 /nfs/dbraw/zinc/02/29/46/352022946.db2.gz WTASPJRGCMIFMV-QWRGUYRKSA-N 2 0 239.363 0.524 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H](CC)[NH+](C)C ZINC000638160209 352024469 /nfs/dbraw/zinc/02/44/69/352024469.db2.gz HPCCENDLZVJUFV-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP COc1cccc([C@@H]([NH3+])C(=O)NC[C@@H](C)[NH3+])c1 ZINC000638211519 352073396 /nfs/dbraw/zinc/07/33/96/352073396.db2.gz SHOUDPFOWJRXRF-LDYMZIIASA-N 2 0 237.303 0.158 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000638158061 352025343 /nfs/dbraw/zinc/02/53/43/352025343.db2.gz OKEZAPSUGHJCQJ-IVZWLZJFSA-N 2 0 213.325 0.180 20 0 BCADRP Cc1cncn1CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000638168607 352036154 /nfs/dbraw/zinc/03/61/54/352036154.db2.gz NANGZJGFZZFUFP-ZDUSSCGKSA-N 2 0 248.330 0.404 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000638173013 352040245 /nfs/dbraw/zinc/04/02/45/352040245.db2.gz ZAFOGMWEFPVFFC-JQWIXIFHSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH+](C)CCC[NH2+]CC(C)(C)N1CCOCC1 ZINC000638289264 352125144 /nfs/dbraw/zinc/12/51/44/352125144.db2.gz GVISYNBOBJBXKQ-UHFFFAOYSA-N 2 0 243.395 0.639 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)CCC1C[NH2+]C1 ZINC000638303644 352133106 /nfs/dbraw/zinc/13/31/06/352133106.db2.gz HCRXSCBSYLWOMW-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638214382 352076523 /nfs/dbraw/zinc/07/65/23/352076523.db2.gz TWKSEGLRKRSIMX-AOOOYVTPSA-N 2 0 249.314 0.338 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC000638211029 352077052 /nfs/dbraw/zinc/07/70/52/352077052.db2.gz LSMYEIFGQWSCPG-GFCCVEGCSA-N 2 0 249.358 0.624 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[NH2+]1 ZINC000638211136 352077125 /nfs/dbraw/zinc/07/71/25/352077125.db2.gz PNZTUGSFUTXUEI-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638215927 352078114 /nfs/dbraw/zinc/07/81/14/352078114.db2.gz DYSPKFZQGWDMAE-PWSUYJOCSA-N 2 0 237.347 0.621 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000638218608 352078407 /nfs/dbraw/zinc/07/84/07/352078407.db2.gz DNATUPFCPOTUHP-YPMHNXCESA-N 2 0 239.363 0.526 20 0 BCADRP CC[C@@H](C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C)[NH+](C)C ZINC000638222085 352081457 /nfs/dbraw/zinc/08/14/57/352081457.db2.gz ITIRYPNKBHXBCI-DCAQKATOSA-N 2 0 245.342 0.485 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](C)[NH+](C)C ZINC000638223680 352083064 /nfs/dbraw/zinc/08/30/64/352083064.db2.gz DAILWWUMIXHBSZ-UTLUCORTSA-N 2 0 231.315 0.095 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000638233760 352085884 /nfs/dbraw/zinc/08/58/84/352085884.db2.gz KANQJFHTVMNZAN-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H](C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)[NH+](C)C ZINC000638232322 352086799 /nfs/dbraw/zinc/08/67/99/352086799.db2.gz ASSMXYDVTNVHBH-YPMHNXCESA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000638232756 352087376 /nfs/dbraw/zinc/08/73/76/352087376.db2.gz CXRQFTVQYKUXAP-TZMCWYRMSA-N 2 0 249.358 0.636 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000638232754 352087443 /nfs/dbraw/zinc/08/74/43/352087443.db2.gz CXRQFTVQYKUXAP-OCCSQVGLSA-N 2 0 249.358 0.636 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000638232752 352087670 /nfs/dbraw/zinc/08/76/70/352087670.db2.gz CXRQFTVQYKUXAP-JSGCOSHPSA-N 2 0 249.358 0.636 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638233110 352087693 /nfs/dbraw/zinc/08/76/93/352087693.db2.gz VGXLQWOZJGCNOQ-IQIPOGNMSA-N 2 0 237.347 0.537 20 0 BCADRP Cc1nc[nH]c1CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000638248652 352094583 /nfs/dbraw/zinc/09/45/83/352094583.db2.gz RIHROKIRENDKQZ-IUCAKERBSA-N 2 0 240.282 0.077 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000638248950 352094644 /nfs/dbraw/zinc/09/46/44/352094644.db2.gz WGCAICKFXLAEPV-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000638249903 352095399 /nfs/dbraw/zinc/09/53/99/352095399.db2.gz ZQYANABKRYXKJL-SDDRHHMPSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000638249799 352095493 /nfs/dbraw/zinc/09/54/93/352095493.db2.gz WWFUPGBIGRDDRQ-IVZWLZJFSA-N 2 0 228.340 0.150 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N[C@H](C)CCC[NH3+] ZINC000638252322 352095788 /nfs/dbraw/zinc/09/57/88/352095788.db2.gz RVHYRROLYFKPAI-SECBINFHSA-N 2 0 239.319 0.904 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638253516 352096367 /nfs/dbraw/zinc/09/63/67/352096367.db2.gz AEVCVTQSBFHHNA-GUBZILKMSA-N 2 0 213.325 0.323 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000638256535 352099372 /nfs/dbraw/zinc/09/93/72/352099372.db2.gz PZMSSSBKHUNLFQ-GUBZILKMSA-N 2 0 215.341 0.602 20 0 BCADRP CC[C@@H](C(=O)NC(C)(C)CCC[NH3+])[NH+](C)C ZINC000638251779 352099493 /nfs/dbraw/zinc/09/94/93/352099493.db2.gz QFFXJXAULYSIJW-JTQLQIEISA-N 2 0 229.368 0.960 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N(C)C1CC([NH3+])C1 ZINC000638256896 352100044 /nfs/dbraw/zinc/10/00/44/352100044.db2.gz XFMDYORFZMNHSU-UHFFFAOYSA-N 2 0 237.303 0.608 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000638257188 352100608 /nfs/dbraw/zinc/10/06/08/352100608.db2.gz XDKPOQSCWYTWAU-RNFRBKRXSA-N 2 0 223.267 0.083 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C[N@H+](C)CC(C)(C)C ZINC000638257726 352101222 /nfs/dbraw/zinc/10/12/22/352101222.db2.gz VXGCRAXGBMYKMP-JTQLQIEISA-N 2 0 229.368 0.818 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC000638258035 352101340 /nfs/dbraw/zinc/10/13/40/352101340.db2.gz XMSHSGYWJTUGOV-BDAKNGLRSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000638257728 352101349 /nfs/dbraw/zinc/10/13/49/352101349.db2.gz VYGDZZISNWSCMN-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)Cc1[nH]cnc1C ZINC000638260254 352104532 /nfs/dbraw/zinc/10/45/32/352104532.db2.gz XKELTUVPUYPVRX-QMMMGPOBSA-N 2 0 210.281 0.114 20 0 BCADRP CC[C@H](C(=O)N(C)C1(C[NH3+])CCC1)[NH+](C)C ZINC000638262568 352104968 /nfs/dbraw/zinc/10/49/68/352104968.db2.gz ORDGJKHHLCRMQM-SNVBAGLBSA-N 2 0 227.352 0.666 20 0 BCADRP CC[C@@H](C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21)[NH+](C)C ZINC000638265515 352105853 /nfs/dbraw/zinc/10/58/53/352105853.db2.gz DEMIPLZMMVFPJC-SDDRHHMPSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000638266656 352106276 /nfs/dbraw/zinc/10/62/76/352106276.db2.gz CYICSTONCBYGTH-SRVKXCTJSA-N 2 0 241.379 0.994 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000638265585 352106390 /nfs/dbraw/zinc/10/63/90/352106390.db2.gz GCAWOAUSFPQBFT-BQBZGAKWSA-N 2 0 241.257 0.380 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638269661 352106886 /nfs/dbraw/zinc/10/68/86/352106886.db2.gz SIZKRAMABYRDOZ-FBIMIBRVSA-N 2 0 223.320 0.278 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[NH+](C)C ZINC000638270513 352107843 /nfs/dbraw/zinc/10/78/43/352107843.db2.gz YOOKYUPYXYVKAO-KXUCPTDWSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CC[NH2+]C1(C)C)[NH+](C)C ZINC000638268278 352107995 /nfs/dbraw/zinc/10/79/95/352107995.db2.gz XRHPVUHNPZKFGN-NXEZZACHSA-N 2 0 227.352 0.583 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000638271653 352109529 /nfs/dbraw/zinc/10/95/29/352109529.db2.gz YMXZTLSUSRZINO-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP CC1(C)CN(C(=O)C2=CC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000638271565 352109590 /nfs/dbraw/zinc/10/95/90/352109590.db2.gz XNMGPRWSDPAYOH-SNVBAGLBSA-N 2 0 223.320 0.244 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000638276864 352113717 /nfs/dbraw/zinc/11/37/17/352113717.db2.gz QDNKSIPUGPXSCW-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP CCN1CCC[C@H]1C[NH2+]C[C@]1(OC)CCOC1 ZINC000638281668 352116245 /nfs/dbraw/zinc/11/62/45/352116245.db2.gz VIBSLEHUGDVHQT-QWHCGFSZSA-N 2 0 242.363 0.866 20 0 BCADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H](C[NH3+])C1CC1 ZINC000638332045 352153848 /nfs/dbraw/zinc/15/38/48/352153848.db2.gz LZXSHYCPVLRKQA-CMPLNLGQSA-N 2 0 239.363 0.524 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000638332133 352154456 /nfs/dbraw/zinc/15/44/56/352154456.db2.gz OCGFEFDINMKRLT-WPRPVWTQSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N(C)CC[NH3+] ZINC000638343363 352162293 /nfs/dbraw/zinc/16/22/93/352162293.db2.gz MEFXYRUNPSRJLR-VIFPVBQESA-N 2 0 201.314 0.167 20 0 BCADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH3+])[NH+](C)C ZINC000638365411 352175958 /nfs/dbraw/zinc/17/59/58/352175958.db2.gz ZWQDLHHETOSIGG-MXWKQRLJSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH3+])[NH+](C)C ZINC000638365285 352175990 /nfs/dbraw/zinc/17/59/90/352175990.db2.gz YAHXJKYXPNQKHU-OPRDCNLKSA-N 2 0 213.325 0.323 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638364590 352177102 /nfs/dbraw/zinc/17/71/02/352177102.db2.gz MGGKMDLPKRCYDI-GHMZBOCLSA-N 2 0 225.336 0.372 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000638364290 352177210 /nfs/dbraw/zinc/17/72/10/352177210.db2.gz FPGSRGZIZMELSH-OPRDCNLKSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])[NH+](C)C ZINC000638368682 352178015 /nfs/dbraw/zinc/17/80/15/352178015.db2.gz LTYQJGBBLMGFJW-XHNCKOQMSA-N 2 0 201.314 0.179 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638368718 352178158 /nfs/dbraw/zinc/17/81/58/352178158.db2.gz MJLMINFMSQZBGK-MXWKQRLJSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CCC1C[NH2+]C1 ZINC000638369872 352180333 /nfs/dbraw/zinc/18/03/33/352180333.db2.gz VMAWXEQOYVXJES-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000638370037 352180797 /nfs/dbraw/zinc/18/07/97/352180797.db2.gz WGDKODIYSLSNFG-MNOVXSKESA-N 2 0 239.363 0.775 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000638370038 352180876 /nfs/dbraw/zinc/18/08/76/352180876.db2.gz WGDKODIYSLSNFG-QWRGUYRKSA-N 2 0 239.363 0.775 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000638390318 352198778 /nfs/dbraw/zinc/19/87/78/352198778.db2.gz KLLKHSQVOZFDHO-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638370977 352184126 /nfs/dbraw/zinc/18/41/26/352184126.db2.gz OEHBMCBNBWVNBC-HBNTYKKESA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000638383167 352192304 /nfs/dbraw/zinc/19/23/04/352192304.db2.gz BSSZRKZZCRONOV-NHCYSSNCSA-N 2 0 225.336 0.311 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NCCC1(C[NH3+])CC1 ZINC000638386624 352195281 /nfs/dbraw/zinc/19/52/81/352195281.db2.gz RRITXULYXAJMTD-LLVKDONJSA-N 2 0 241.379 0.995 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000638388664 352195653 /nfs/dbraw/zinc/19/56/53/352195653.db2.gz ZMKGLUXXOSDIJM-LLVKDONJSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@H](C(=O)N[C@H](C[NH3+])C1CCCC1)[NH+](C)C ZINC000638326128 352144883 /nfs/dbraw/zinc/14/48/83/352144883.db2.gz KINXPQJQQSRZMH-MWLCHTKSSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]C[C@@H](NC(=O)CCC1C[NH2+]C1)C1CCCC1 ZINC000638325187 352145934 /nfs/dbraw/zinc/14/59/34/352145934.db2.gz BODAXHCTXWKNRU-GFCCVEGCSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000638426804 352234741 /nfs/dbraw/zinc/23/47/41/352234741.db2.gz GRFWCIHTHSHLGR-QWKFWESOSA-N 2 0 239.363 0.618 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638427222 352235761 /nfs/dbraw/zinc/23/57/61/352235761.db2.gz VFAOPWCUUMJHBZ-RYUDHWBXSA-N 2 0 237.347 0.634 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000638431844 352240025 /nfs/dbraw/zinc/24/00/25/352240025.db2.gz VJYAJMBOTPTFJU-OUAUKWLOSA-N 2 0 245.342 0.648 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638433168 352242452 /nfs/dbraw/zinc/24/24/52/352242452.db2.gz QYPUZAGVHQROBH-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N(C)CC(C)(C)[NH3+] ZINC000638402861 352208825 /nfs/dbraw/zinc/20/88/25/352208825.db2.gz UZHGYQVZDNYPFD-SNVBAGLBSA-N 2 0 229.368 0.946 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N(C)CC(C)(C)[NH3+] ZINC000638402987 352209254 /nfs/dbraw/zinc/20/92/54/352209254.db2.gz WLNOHXPMTGIPOZ-UHFFFAOYSA-N 2 0 239.319 0.856 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)Cc1c[nH]cn1 ZINC000638404001 352210631 /nfs/dbraw/zinc/21/06/31/352210631.db2.gz WZDQUMIKHCCEQG-MRVPVSSYSA-N 2 0 210.281 0.366 20 0 BCADRP C[C@H](CCNC(=O)CCC1C[NH2+]C1)[NH+](C)C ZINC000638408271 352213784 /nfs/dbraw/zinc/21/37/84/352213784.db2.gz FXSLMYKDPLBYIJ-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP O[C@H](C[NH2+]CCC[C@@H]1CCO1)C[NH+]1CCCC1 ZINC000638412328 352219612 /nfs/dbraw/zinc/21/96/12/352219612.db2.gz OBZWUSBXIFTTAT-CHWSQXEVSA-N 2 0 242.363 0.602 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC1([NH3+])CCCC1 ZINC000638410889 352220575 /nfs/dbraw/zinc/22/05/75/352220575.db2.gz KQGXPRFHHVKYII-VIFPVBQESA-N 2 0 213.325 0.372 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000627038131 363149905 /nfs/dbraw/zinc/14/99/05/363149905.db2.gz HXGQYNIOBBXWMP-NSHDSACASA-N 2 0 244.383 0.705 20 0 BCADRP CO[C@@H](C[NH2+]CCCC[NH+](C)C)[C@@H]1CCOC1 ZINC000638451937 352262066 /nfs/dbraw/zinc/26/20/66/352262066.db2.gz RZRZILPJDBRHAL-OLZOCXBDSA-N 2 0 244.379 0.969 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000638437771 352245235 /nfs/dbraw/zinc/24/52/35/352245235.db2.gz UVRVECMYPOEZDT-PWSUYJOCSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@H](C(=O)N[C@@]1(C)CC[NH2+]C1)[NH+](C)C ZINC000638435598 352245743 /nfs/dbraw/zinc/24/57/43/352245743.db2.gz DBLAERITDABZOQ-KOLCDFICSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H](CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)[NH+](C)C ZINC000627052812 363171815 /nfs/dbraw/zinc/17/18/15/363171815.db2.gz SWDIGWHNQDHYDZ-GARJFASQSA-N 2 0 242.367 0.376 20 0 BCADRP C[C@@H](CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[NH+](C)C ZINC000627052814 363171831 /nfs/dbraw/zinc/17/18/31/363171831.db2.gz SWDIGWHNQDHYDZ-VWYCJHECSA-N 2 0 242.367 0.376 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638497210 352315881 /nfs/dbraw/zinc/31/58/81/352315881.db2.gz DVMVLQOTEXSNFM-NXEZZACHSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638497759 352317603 /nfs/dbraw/zinc/31/76/03/352317603.db2.gz HOIZXIDRQITVRS-BDAKNGLRSA-N 2 0 211.309 0.125 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000638498159 352318319 /nfs/dbraw/zinc/31/83/19/352318319.db2.gz JXRZOPZMHBRWPL-WDEREUQCSA-N 2 0 237.347 0.529 20 0 BCADRP C[C@@]1(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC[NH2+]C1 ZINC000638499509 352319105 /nfs/dbraw/zinc/31/91/05/352319105.db2.gz PZWPCVMOZISLNW-CMPLNLGQSA-N 2 0 237.347 0.387 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638499389 352319270 /nfs/dbraw/zinc/31/92/70/352319270.db2.gz PVKFLIPBAHXQND-LLVKDONJSA-N 2 0 239.363 0.775 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638483722 352293051 /nfs/dbraw/zinc/29/30/51/352293051.db2.gz LMYYKSRYKIVPQB-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@H](C(=O)N1CC[NH2+]C[C@H]1C(C)C)[NH+](C)C ZINC000638491410 352301909 /nfs/dbraw/zinc/30/19/09/352301909.db2.gz IDYOOALJGJLUJD-NEPJUHHUSA-N 2 0 241.379 0.783 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638491482 352302030 /nfs/dbraw/zinc/30/20/30/352302030.db2.gz GFEVSMZGFRTOAM-VHSXEESVSA-N 2 0 213.325 0.051 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)CC1(C[NH3+])CC1 ZINC000638491394 352302429 /nfs/dbraw/zinc/30/24/29/352302429.db2.gz FFIUHNQKYYFUDC-NSHDSACASA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)CC[NH2+]C1CC1 ZINC000638491600 352303570 /nfs/dbraw/zinc/30/35/70/352303570.db2.gz HEZKQAWCXQZKQV-LBPRGKRZSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638493527 352307880 /nfs/dbraw/zinc/30/78/80/352307880.db2.gz WYUBXNUPCHRSSS-QWRGUYRKSA-N 2 0 227.352 0.441 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[NH2+]1 ZINC000638500737 352321390 /nfs/dbraw/zinc/32/13/90/352321390.db2.gz WSTRYYWPJYTTLH-VHSXEESVSA-N 2 0 223.320 0.139 20 0 BCADRP CCN(CC[NH3+])C(=O)CC[NH2+]C(C)C ZINC000638522539 352355226 /nfs/dbraw/zinc/35/52/26/352355226.db2.gz LBOOFBQZBALWDK-UHFFFAOYSA-N 2 0 201.314 0.182 20 0 BCADRP CCN(CC[NH3+])C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000638522436 352355250 /nfs/dbraw/zinc/35/52/50/352355250.db2.gz GYCWDRVSIHPQSP-NSHDSACASA-N 2 0 241.379 0.819 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[NH2+]C12CCC2)[C@H](C)[NH3+] ZINC000638511062 352335764 /nfs/dbraw/zinc/33/57/64/352335764.db2.gz ZGWQFGPZKVJAEC-UTLUCORTSA-N 2 0 225.336 0.371 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@@H]2CC[C@H](CO)O2)CC1 ZINC000340413476 352337082 /nfs/dbraw/zinc/33/70/82/352337082.db2.gz DLTGGBRPNDOFLT-QWHCGFSZSA-N 2 0 242.363 0.600 20 0 BCADRP CCN(CC[NH3+])C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000638513640 352339209 /nfs/dbraw/zinc/33/92/09/352339209.db2.gz UHUDIMFNVQLEIE-UHFFFAOYSA-N 2 0 225.336 0.455 20 0 BCADRP CCN(CC[NH3+])C(=O)c1conc1C(C)(C)[NH3+] ZINC000638516081 352343458 /nfs/dbraw/zinc/34/34/58/352343458.db2.gz MWOKHCYTDGZSIR-UHFFFAOYSA-N 2 0 240.307 0.289 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000638516233 352343984 /nfs/dbraw/zinc/34/39/84/352343984.db2.gz OZZVKCKDNAZFAY-NXEZZACHSA-N 2 0 215.341 0.413 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000638516928 352346524 /nfs/dbraw/zinc/34/65/24/352346524.db2.gz JUJNLLKKLNPBCJ-NSHDSACASA-N 2 0 213.325 0.183 20 0 BCADRP CCN(CC[NH3+])C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000638517801 352349138 /nfs/dbraw/zinc/34/91/38/352349138.db2.gz CQTTWQWMLDIPHN-PHIMTYICSA-N 2 0 227.352 0.666 20 0 BCADRP CCN(CC[NH3+])C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000638522501 352356410 /nfs/dbraw/zinc/35/64/10/352356410.db2.gz INLZRGJPYYBTHA-NWDGAFQWSA-N 2 0 241.379 0.819 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000638528751 352361796 /nfs/dbraw/zinc/36/17/96/352361796.db2.gz RBJLPBKSBUXXMJ-ZJUUUORDSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000638528823 352362196 /nfs/dbraw/zinc/36/21/96/352362196.db2.gz TWKJCGDIAOIBMA-IVZWLZJFSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000638528824 352362342 /nfs/dbraw/zinc/36/23/42/352362342.db2.gz TWKJCGDIAOIBMA-OPRDCNLKSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000638572791 352401268 /nfs/dbraw/zinc/40/12/68/352401268.db2.gz YTUVCRKZMIUVJF-DMDPSCGWSA-N 2 0 239.363 0.775 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])C(C)C ZINC000638566605 352393332 /nfs/dbraw/zinc/39/33/32/352393332.db2.gz AKLNWMMJMQUUGB-IVZWLZJFSA-N 2 0 213.325 0.226 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000638567268 352394718 /nfs/dbraw/zinc/39/47/18/352394718.db2.gz LLCWXKUMBLAIFZ-HOSYDEDBSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CCCC[NH3+] ZINC000638571937 352396973 /nfs/dbraw/zinc/39/69/73/352396973.db2.gz BRVFNIARZHTYTJ-VHSXEESVSA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])CC(F)F ZINC000638572611 352401033 /nfs/dbraw/zinc/40/10/33/352401033.db2.gz RAUCCHIZMAUNTG-BIIVOSGPSA-N 2 0 235.278 0.226 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000638570800 352398193 /nfs/dbraw/zinc/39/81/93/352398193.db2.gz ABWBEZNCTHWZMY-QJPTWQEYSA-N 2 0 239.363 0.727 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000638522903 352357183 /nfs/dbraw/zinc/35/71/83/352357183.db2.gz TTZSPKQLLOADLY-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H](O)CC[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000411738740 191208512 /nfs/dbraw/zinc/20/85/12/191208512.db2.gz UUELLYVRGMYQEH-CYBMUJFWSA-N 2 0 245.411 0.573 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638574476 352404856 /nfs/dbraw/zinc/40/48/56/352404856.db2.gz RUZYEIYJJNTOLK-LPEHRKFASA-N 2 0 213.325 0.241 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC[N@@H+]1C ZINC000638650802 352492822 /nfs/dbraw/zinc/49/28/22/352492822.db2.gz MTLQENQJZNUQAP-WHOHXGKFSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[NH2+]1 ZINC000638638228 352480011 /nfs/dbraw/zinc/48/00/11/352480011.db2.gz BOTHXUVLMYLXRD-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[NH2+]1 ZINC000638638226 352480165 /nfs/dbraw/zinc/48/01/65/352480165.db2.gz BOTHXUVLMYLXRD-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C[NH2+]1 ZINC000638638191 352480222 /nfs/dbraw/zinc/48/02/22/352480222.db2.gz BHMKLDRZWGHJPP-IEBDPFPHSA-N 2 0 223.320 0.291 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)C[NH2+]1 ZINC000638649948 352493184 /nfs/dbraw/zinc/49/31/84/352493184.db2.gz KBVNTOSZUAXKHF-HBNTYKKESA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CCC[NH2+]1 ZINC000638640429 352484012 /nfs/dbraw/zinc/48/40/12/352484012.db2.gz BHWDEWXQJVYTMO-DMDPSCGWSA-N 2 0 239.363 0.775 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643575 352485971 /nfs/dbraw/zinc/48/59/71/352485971.db2.gz LYLMYVGIBIAVFZ-MXWKQRLJSA-N 2 0 227.352 0.631 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)CC[NH2+]C2CC2)C[NH2+]1 ZINC000638643200 352487631 /nfs/dbraw/zinc/48/76/31/352487631.db2.gz IMOUQWAABUIBOI-KOLCDFICSA-N 2 0 225.336 0.385 20 0 BCADRP Cc1ncc(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)[nH]1 ZINC000638644639 352488262 /nfs/dbraw/zinc/48/82/62/352488262.db2.gz QRCVXDGAKQVSBO-CBAPKCEASA-N 2 0 222.292 0.588 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C[NH2+]1 ZINC000638650309 352494366 /nfs/dbraw/zinc/49/43/66/352494366.db2.gz KYOLZLGKEUCIOK-MMWGEVLESA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[NH2+]2)C[NH2+]1 ZINC000638653765 352494453 /nfs/dbraw/zinc/49/44/53/352494453.db2.gz HBRNITLEMYCTBK-GARJFASQSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)c2ccc(C[NH3+])o2)C[NH2+]1 ZINC000638653181 352494615 /nfs/dbraw/zinc/49/46/15/352494615.db2.gz DQHQNGCCFGEOJU-BDAKNGLRSA-N 2 0 237.303 0.609 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)CC2CC[NH2+]CC2)C[NH2+]1 ZINC000638652869 352494716 /nfs/dbraw/zinc/49/47/16/352494716.db2.gz BSNKMSYHVBUIOF-ZYHUDNBSSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)CC2CC[NH2+]CC2)C[NH2+]1 ZINC000638652866 352494805 /nfs/dbraw/zinc/49/48/05/352494805.db2.gz BSNKMSYHVBUIOF-CMPLNLGQSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2[NH2+]CCC2(C)C)C[NH2+]1 ZINC000638653796 352495907 /nfs/dbraw/zinc/49/59/07/352495907.db2.gz ZHBIDRPPFUBOFE-VWYCJHECSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)CCC(C)(C)[NH3+])C[NH2+]1 ZINC000638655396 352496283 /nfs/dbraw/zinc/49/62/83/352496283.db2.gz QJPINQVKSFFKIK-UWVGGRQHSA-N 2 0 227.352 0.761 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)C[NH2+]CC2CC2)C[NH2+]1 ZINC000638655431 352496578 /nfs/dbraw/zinc/49/65/78/352496578.db2.gz QTMOTAHSXAHJRB-KOLCDFICSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C[NH2+]1 ZINC000638655415 352496801 /nfs/dbraw/zinc/49/68/01/352496801.db2.gz QPZDIXXSODRZIR-WYUUTHIRSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)C2(C[NH3+])CCCC2)C[NH2+]1 ZINC000638654163 352496879 /nfs/dbraw/zinc/49/68/79/352496879.db2.gz JMMHWUZQOIQFES-WDEREUQCSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638654112 352496911 /nfs/dbraw/zinc/49/69/11/352496911.db2.gz JBQDOBFQRNKPNJ-GUBZILKMSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638665315 352509230 /nfs/dbraw/zinc/50/92/30/352509230.db2.gz GEWOWOQZUHQWBB-MRVPVSSYSA-N 2 0 235.287 0.454 20 0 BCADRP CC(C)[C@H](C(=O)N(C)CCOCC[NH3+])[C@@H](C)[NH3+] ZINC000638672067 352513674 /nfs/dbraw/zinc/51/36/74/352513674.db2.gz CCMLAKORKSZIPP-MNOVXSKESA-N 2 0 245.367 0.040 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]CCC[C@H]2CCO2)CC1 ZINC000638682089 352519786 /nfs/dbraw/zinc/51/97/86/352519786.db2.gz QBQODTFUGKQTCO-LBPRGKRZSA-N 2 0 242.363 0.602 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)[C@H](C)[NH3+] ZINC000638727588 352586106 /nfs/dbraw/zinc/58/61/06/352586106.db2.gz KCBGKNDBRBCNHM-SDDRHHMPSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)[C@@H](C)[NH3+] ZINC000638727587 352586162 /nfs/dbraw/zinc/58/61/62/352586162.db2.gz KCBGKNDBRBCNHM-GRYCIOLGSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000040803268 352604611 /nfs/dbraw/zinc/60/46/11/352604611.db2.gz LYSUNHIONMLRRB-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CC[NH+](CC)CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000042165361 352613839 /nfs/dbraw/zinc/61/38/39/352613839.db2.gz RWIOSWPATREBAS-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C(CN1CC[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CCCO1 ZINC000385384370 352565058 /nfs/dbraw/zinc/56/50/58/352565058.db2.gz PLNFRGYKKWABRX-UTUOFQBUSA-N 2 0 210.321 0.849 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000638727251 352585469 /nfs/dbraw/zinc/58/54/69/352585469.db2.gz DXIYGLWZSOITDZ-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514370 352653706 /nfs/dbraw/zinc/65/37/06/352653706.db2.gz BQGVDJRSSJAWLA-LLVKDONJSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000044526623 352654637 /nfs/dbraw/zinc/65/46/37/352654637.db2.gz JOKAAQLZVLWGFH-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000044751162 352655456 /nfs/dbraw/zinc/65/54/56/352655456.db2.gz LJSJUQXBVXOQOQ-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000038029442 187773089 /nfs/dbraw/zinc/77/30/89/187773089.db2.gz BEWRVKXGJMWVEC-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP C[N@@H+](CC(=O)NC1CC1)CC1CC[NH2+]CC1 ZINC000043497724 352637133 /nfs/dbraw/zinc/63/71/33/352637133.db2.gz BOCXZFZVJZDUNX-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H](C)[NH3+] ZINC000638766379 352703318 /nfs/dbraw/zinc/70/33/18/352703318.db2.gz VESWHXXYGGEGER-MMWGEVLESA-N 2 0 227.352 0.472 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000638766391 352703431 /nfs/dbraw/zinc/70/34/31/352703431.db2.gz VLBWHGIHACRAMY-YTWAJWBKSA-N 2 0 225.336 0.241 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000638767239 352707343 /nfs/dbraw/zinc/70/73/43/352707343.db2.gz BURWBYLCQFXSGZ-HBNTYKKESA-N 2 0 225.336 0.243 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000638767588 352707590 /nfs/dbraw/zinc/70/75/90/352707590.db2.gz HIUNKQLOBRMHHH-CYZMBNFOSA-N 2 0 247.342 0.861 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638772978 352713703 /nfs/dbraw/zinc/71/37/03/352713703.db2.gz CVGAFOJMWSIXIF-IVZWLZJFSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cccc2c1C[NH2+]C2 ZINC000638772692 352714754 /nfs/dbraw/zinc/71/47/54/352714754.db2.gz DIEFLOOSQWXOET-TVQRCGJNSA-N 2 0 245.326 0.770 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000336353819 187816797 /nfs/dbraw/zinc/81/67/97/187816797.db2.gz PGNHMKBFUJQKCQ-BDAKNGLRSA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638774845 352717037 /nfs/dbraw/zinc/71/70/37/352717037.db2.gz VKOYAPGUBMMJBG-SDDRHHMPSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000638775378 352722276 /nfs/dbraw/zinc/72/22/76/352722276.db2.gz DSSSIRVNJGYAFY-HBNTYKKESA-N 2 0 225.336 0.337 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)c1cccc2c1C[NH2+]C2 ZINC000638792635 352754487 /nfs/dbraw/zinc/75/44/87/352754487.db2.gz PPCRJEJIIWOLAR-SNVBAGLBSA-N 2 0 231.299 0.382 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000334214982 352814288 /nfs/dbraw/zinc/81/42/88/352814288.db2.gz BQDURYAMBQFWAW-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000334221154 352824394 /nfs/dbraw/zinc/82/43/94/352824394.db2.gz WKJNROUNVWTACV-QWRGUYRKSA-N 2 0 225.336 0.006 20 0 BCADRP [NH3+]CCC(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638803118 352975830 /nfs/dbraw/zinc/97/58/30/352975830.db2.gz FOIAQTXFENQMRG-UHFFFAOYSA-N 2 0 235.287 0.220 20 0 BCADRP C[NH2+]CCC(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638805028 352979210 /nfs/dbraw/zinc/97/92/10/352979210.db2.gz HPJZYUWMRZQKRN-UHFFFAOYSA-N 2 0 249.314 0.480 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638808102 352985070 /nfs/dbraw/zinc/98/50/70/352985070.db2.gz RXDGTLNZLRPAJL-VIFPVBQESA-N 2 0 249.314 0.479 20 0 BCADRP C[NH2+]CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000334328549 352964820 /nfs/dbraw/zinc/96/48/20/352964820.db2.gz NAEIBLRNYZFOFR-NWDGAFQWSA-N 2 0 233.315 0.159 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000638802313 352965802 /nfs/dbraw/zinc/96/58/02/352965802.db2.gz SKCGWKYOLVNRBG-GRYCIOLGSA-N 2 0 237.347 0.100 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)C2([NH3+])CCC2)C1 ZINC000638841287 353017754 /nfs/dbraw/zinc/01/77/54/353017754.db2.gz USQVPUPJSBDLSN-JTQLQIEISA-N 2 0 225.336 0.598 20 0 BCADRP C[NH+](C)CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638841333 353018058 /nfs/dbraw/zinc/01/80/58/353018058.db2.gz WJVFPSYZYVXVMC-JTQLQIEISA-N 2 0 213.325 0.278 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000638853474 353024394 /nfs/dbraw/zinc/02/43/94/353024394.db2.gz HEFSDMWIZZIDAE-CMPLNLGQSA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000638854071 353025041 /nfs/dbraw/zinc/02/50/41/353025041.db2.gz NEQOSNKSCDQFSD-VXGBXAGGSA-N 2 0 239.363 0.537 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638815069 352995533 /nfs/dbraw/zinc/99/55/33/352995533.db2.gz KZMLFFPVOHSEEC-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000638815252 352996444 /nfs/dbraw/zinc/99/64/44/352996444.db2.gz BWPFRGYKXAMBLI-NXEZZACHSA-N 2 0 211.309 0.078 20 0 BCADRP [NH3+]CC1(CC(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000638817641 352998152 /nfs/dbraw/zinc/99/81/52/352998152.db2.gz SKNAHIYJEPMTLM-NSHDSACASA-N 2 0 239.363 0.845 20 0 BCADRP C[C@@]1(C(=O)N2CCCCC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000638819334 352999321 /nfs/dbraw/zinc/99/93/21/352999321.db2.gz JVCBBJSQTLBXNU-YPMHNXCESA-N 2 0 239.363 0.858 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638819291 352999331 /nfs/dbraw/zinc/99/93/31/352999331.db2.gz ISQNIKNUDMMQIV-GHMZBOCLSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@@H](C(=O)N1CCCCC[C@@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000638818932 352999479 /nfs/dbraw/zinc/99/94/79/352999479.db2.gz GAQCKYFCJCYHOD-OUAUKWLOSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@]1(C(=O)N2CCCCC[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000638819333 352999541 /nfs/dbraw/zinc/99/95/41/352999541.db2.gz JVCBBJSQTLBXNU-WCQYABFASA-N 2 0 239.363 0.858 20 0 BCADRP C[C@@H](C(=O)N1CCCCC[C@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000638818933 352999641 /nfs/dbraw/zinc/99/96/41/352999641.db2.gz GAQCKYFCJCYHOD-VWYCJHECSA-N 2 0 227.352 0.700 20 0 BCADRP C[NH2+]CCC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638820153 353000593 /nfs/dbraw/zinc/00/05/93/353000593.db2.gz RRMYWDHGQRNLSR-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP C[NH2+]CCCC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638822117 353002796 /nfs/dbraw/zinc/00/27/96/353002796.db2.gz GLDCVVROSPSTCX-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP C[C@@]1(C(=O)N2CCCCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000638821881 353002862 /nfs/dbraw/zinc/00/28/62/353002862.db2.gz CKJVAHHHHBYEFK-WCQYABFASA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000638823017 353004316 /nfs/dbraw/zinc/00/43/16/353004316.db2.gz OGALVBWIIKQNNF-NEPJUHHUSA-N 2 0 239.363 0.858 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000638823043 353004500 /nfs/dbraw/zinc/00/45/00/353004500.db2.gz OLYLBFASAZMKDI-QWRGUYRKSA-N 2 0 225.336 0.468 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000638823846 353005094 /nfs/dbraw/zinc/00/50/94/353005094.db2.gz YLERHHIQLCMVNB-NWDGAFQWSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000638899836 353062526 /nfs/dbraw/zinc/06/25/26/353062526.db2.gz FHQQLEUPXBGQDP-IJLUTSLNSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C[C@H]1C[NH3+] ZINC000638900938 353062940 /nfs/dbraw/zinc/06/29/40/353062940.db2.gz IPLCDZAWEHSZGH-KKOKHZNYSA-N 2 0 239.363 0.428 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638902445 353063861 /nfs/dbraw/zinc/06/38/61/353063861.db2.gz MFJWBAOMAHYACA-NXEZZACHSA-N 2 0 213.325 0.038 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000638915458 353074779 /nfs/dbraw/zinc/07/47/79/353074779.db2.gz MQGUKVYDOGYFBJ-RWMBFGLXSA-N 2 0 245.326 0.568 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000638937290 353110449 /nfs/dbraw/zinc/11/04/49/353110449.db2.gz SUZAGSRDIHHYNL-BBBLOLIVSA-N 2 0 243.376 0.030 20 0 BCADRP CC(C)([NH3+])CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000261564792 535198179 /nfs/dbraw/zinc/19/81/79/535198179.db2.gz CRSDKQGNMLESHV-LBPRGKRZSA-N 2 0 211.353 0.799 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638920025 353078804 /nfs/dbraw/zinc/07/88/04/353078804.db2.gz YLKHOJFHUUMPAN-MXWKQRLJSA-N 2 0 223.320 0.091 20 0 BCADRP O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917334 353081367 /nfs/dbraw/zinc/08/13/67/353081367.db2.gz OGFRWDBAWGWURJ-BJDJZHNGSA-N 2 0 235.331 0.090 20 0 BCADRP [NH3+]C1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000638918252 353082523 /nfs/dbraw/zinc/08/25/23/353082523.db2.gz NRVOLECQPQMHHM-AOOOYVTPSA-N 2 0 223.320 0.221 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919162 353083615 /nfs/dbraw/zinc/08/36/15/353083615.db2.gz JTPKPDJSSSLLCH-JFGNBEQYSA-N 2 0 225.336 0.467 20 0 BCADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925766 353085956 /nfs/dbraw/zinc/08/59/56/353085956.db2.gz UXXAFIFFHVSKLM-TUAOUCFPSA-N 2 0 249.358 0.339 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925701 353086010 /nfs/dbraw/zinc/08/60/10/353086010.db2.gz TVSITKLSKHVLDH-PHIMTYICSA-N 2 0 239.363 0.714 20 0 BCADRP O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926545 353087295 /nfs/dbraw/zinc/08/72/95/353087295.db2.gz ISKLPLHLZRAHOZ-YVECIDJPSA-N 2 0 249.358 0.480 20 0 BCADRP O=C([C@H]1CCC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638927088 353087556 /nfs/dbraw/zinc/08/75/56/353087556.db2.gz PHJPPRKEXVYFRS-SDDRHHMPSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CC1(C[NH3+])CC1 ZINC000638927953 353087879 /nfs/dbraw/zinc/08/78/79/353087879.db2.gz CRGWQMKJMJADON-RKDXNWHRSA-N 2 0 211.309 0.064 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000638930467 353091373 /nfs/dbraw/zinc/09/13/73/353091373.db2.gz LIMAVUNMBVKNTO-LSCVPOLPSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638933636 353096087 /nfs/dbraw/zinc/09/60/87/353096087.db2.gz YUGCUELIGAJDAH-AXFHLTTASA-N 2 0 227.352 0.698 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638933639 353096098 /nfs/dbraw/zinc/09/60/98/353096098.db2.gz YUGCUELIGAJDAH-DCAQKATOSA-N 2 0 227.352 0.698 20 0 BCADRP CC[C@H](C(=O)N1C[C@@H]([NH3+])C[C@H]1C)[NH+](C)C ZINC000638933758 353096237 /nfs/dbraw/zinc/09/62/37/353096237.db2.gz ZQFHKOCVZAQVAM-KXUCPTDWSA-N 2 0 213.325 0.275 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000638934039 353096605 /nfs/dbraw/zinc/09/66/05/353096605.db2.gz FGABFJBEXXNFON-HLTSFMKQSA-N 2 0 247.289 0.179 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638934487 353098204 /nfs/dbraw/zinc/09/82/04/353098204.db2.gz IKKFLOAIISIXFJ-VHSXEESVSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000638929042 353098649 /nfs/dbraw/zinc/09/86/49/353098649.db2.gz DRGRNWRNDRCQOO-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000638929102 353098729 /nfs/dbraw/zinc/09/87/29/353098729.db2.gz NQPYCKCNBDYROQ-GWOFURMSSA-N 2 0 225.336 0.275 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C)[NH3+] ZINC000638941788 353133714 /nfs/dbraw/zinc/13/37/14/353133714.db2.gz VKEILFCJGUAMRU-YFKTTZPYSA-N 2 0 239.363 0.569 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000019474252 188058866 /nfs/dbraw/zinc/05/88/66/188058866.db2.gz JIYVUENINBJGSG-JTQLQIEISA-N 2 0 229.368 0.674 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000353168548 188060694 /nfs/dbraw/zinc/06/06/94/188060694.db2.gz NGUMBKUDZMBQGM-TUAOUCFPSA-N 2 0 239.363 0.489 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000353464468 188061217 /nfs/dbraw/zinc/06/12/17/188061217.db2.gz XVBSOGPMTQYQJP-MNOVXSKESA-N 2 0 239.363 0.618 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCCC[NH2+]1 ZINC000368750306 188073827 /nfs/dbraw/zinc/07/38/27/188073827.db2.gz OJFMRLUVBNFCJG-NEPJUHHUSA-N 2 0 239.363 0.634 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638950646 353153690 /nfs/dbraw/zinc/15/36/90/353153690.db2.gz PYICSFBUPHXDOR-DCAQKATOSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638950647 353153726 /nfs/dbraw/zinc/15/37/26/353153726.db2.gz PYICSFBUPHXDOR-GMTAPVOTSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000638950790 353153888 /nfs/dbraw/zinc/15/38/88/353153888.db2.gz SXTGZPSODGCUSX-YUSALJHKSA-N 2 0 239.363 0.748 20 0 BCADRP CC1(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[NH2+]C1 ZINC000638949823 353154430 /nfs/dbraw/zinc/15/44/30/353154430.db2.gz GCUUUKBLQHRIAJ-MGCOHNPYSA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH+](C(C)C)CC1 ZINC000044802155 188085342 /nfs/dbraw/zinc/08/53/42/188085342.db2.gz PAGMWZWHGSTBDR-LBPRGKRZSA-N 2 0 241.379 0.770 20 0 BCADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638966572 353175203 /nfs/dbraw/zinc/17/52/03/353175203.db2.gz DWWOEGCUZBQIBH-MGCOHNPYSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C2([NH3+])CCC2)CC1 ZINC000638967978 353175837 /nfs/dbraw/zinc/17/58/37/353175837.db2.gz MUZZLMXRHYMFRJ-MGCOHNPYSA-N 2 0 225.336 0.502 20 0 BCADRP CCC1([NH+](C)C)CCN(C(=O)C[NH2+]C)CC1 ZINC000638976025 353181867 /nfs/dbraw/zinc/18/18/67/353181867.db2.gz SKTBERPADYQFJP-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP C[C@@H]([NH2+]CCn1ccnc1)[C@@H]1CCOC1 ZINC000132117835 188144662 /nfs/dbraw/zinc/14/46/62/188144662.db2.gz CPQJEYDHWHKBRW-GHMZBOCLSA-N 2 0 209.293 0.898 20 0 BCADRP CC(C)[N@@H+](CC(N)=O)CC1CC[NH2+]CC1 ZINC000043497710 188151638 /nfs/dbraw/zinc/15/16/38/188151638.db2.gz SGCPMBBSDKSATK-UHFFFAOYSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000037041670 188151716 /nfs/dbraw/zinc/15/17/16/188151716.db2.gz YXKZTWJLVVLZJJ-LBPRGKRZSA-N 2 0 239.363 0.727 20 0 BCADRP CCCS(=O)(=O)CCN1CCC[C@@H](C[NH3+])C1 ZINC000226418918 188154727 /nfs/dbraw/zinc/15/47/27/188154727.db2.gz FYIKTRXAMZCBDV-NSHDSACASA-N 2 0 248.392 0.482 20 0 BCADRP CCOC[C@H]1CC[N@H+](CCC[NH2+]C)C1 ZINC000308891021 188164851 /nfs/dbraw/zinc/16/48/51/188164851.db2.gz WTIVKCPGYFCCJH-NSHDSACASA-N 2 0 200.326 0.954 20 0 BCADRP C[C@H]1C[N@H+](C)CCN1C[C@H](O)C[NH+](C)C1CC1 ZINC000310353753 188171684 /nfs/dbraw/zinc/17/16/84/188171684.db2.gz QEHAVJJDKOLIPP-WCQYABFASA-N 2 0 241.379 0.077 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000236746135 188148408 /nfs/dbraw/zinc/14/84/08/188148408.db2.gz PPKJRIVXDSGXNJ-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP Cc1nccn1CC[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000270874305 188198315 /nfs/dbraw/zinc/19/83/15/188198315.db2.gz MHIWPLZXAMOHQG-SNVBAGLBSA-N 2 0 238.335 0.681 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000364648195 188175982 /nfs/dbraw/zinc/17/59/82/188175982.db2.gz REOQVJLIUQHQRX-LBPRGKRZSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC000627074115 363210257 /nfs/dbraw/zinc/21/02/57/363210257.db2.gz NIKCYXRMNZVYJD-VWYCJHECSA-N 2 0 240.351 0.178 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC1(C[NH3+])CCCCC1 ZINC000638996907 353242407 /nfs/dbraw/zinc/24/24/07/353242407.db2.gz PYZYEXIVHHRRPS-SECBINFHSA-N 2 0 213.325 0.359 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)[C@H](C)C[NH2+]1 ZINC000237479474 188190543 /nfs/dbraw/zinc/19/05/43/188190543.db2.gz DHBJFVHWNDGJEA-GHMZBOCLSA-N 2 0 247.342 0.968 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000054133423 188222235 /nfs/dbraw/zinc/22/22/35/188222235.db2.gz MYCWSMXIWAGCOP-NSHDSACASA-N 2 0 229.368 0.816 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)C[NH2+]CC2CC2)CC1 ZINC000639022659 353278512 /nfs/dbraw/zinc/27/85/12/353278512.db2.gz OQXZTIVHKNCECF-XYPYZODXSA-N 2 0 225.336 0.372 20 0 BCADRP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250396507 353269600 /nfs/dbraw/zinc/26/96/00/353269600.db2.gz YQLQXKUOZMYIID-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000639021656 353280031 /nfs/dbraw/zinc/28/00/31/353280031.db2.gz HGIUGLGDAOUPML-DCAQKATOSA-N 2 0 225.336 0.515 20 0 BCADRP [NH3+]CC1(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CCCC1 ZINC000639021639 353280048 /nfs/dbraw/zinc/28/00/48/353280048.db2.gz GUJRMVZJNRNOFZ-XYPYZODXSA-N 2 0 239.363 0.892 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000639021865 353280269 /nfs/dbraw/zinc/28/02/69/353280269.db2.gz OFMOTLNHGGKRLA-YNEHKIRRSA-N 2 0 249.358 0.634 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)CC2([NH3+])CCC2)CC1 ZINC000639023121 353281996 /nfs/dbraw/zinc/28/19/96/353281996.db2.gz ULEFOHWPGMGESG-MGCOHNPYSA-N 2 0 225.336 0.644 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000639023302 353282689 /nfs/dbraw/zinc/28/26/89/353282689.db2.gz WKJVHFVOADFGPE-GMTAPVOTSA-N 2 0 225.336 0.515 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639026129 353285803 /nfs/dbraw/zinc/28/58/03/353285803.db2.gz XSZIJIUNLAFHQC-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639027708 353291448 /nfs/dbraw/zinc/29/14/48/353291448.db2.gz PTGILKWJYLXJND-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@]1(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CCC[NH2+]C1 ZINC000639030119 353291878 /nfs/dbraw/zinc/29/18/78/353291878.db2.gz AXJXVXIOSOFSJT-NQBHXWOUSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]CCOCCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000093232480 188223139 /nfs/dbraw/zinc/22/31/39/188223139.db2.gz UNNKBHVETOCDHS-ZDUSSCGKSA-N 2 0 241.379 0.522 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639030504 353297604 /nfs/dbraw/zinc/29/76/04/353297604.db2.gz GBIFPLHHKPLNHI-XWLWVQCSSA-N 2 0 225.336 0.371 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639030782 353298376 /nfs/dbraw/zinc/29/83/76/353298376.db2.gz YQBPBTUENCVJRW-DCAQKATOSA-N 2 0 239.363 0.761 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000639031282 353299404 /nfs/dbraw/zinc/29/94/04/353299404.db2.gz QTFNFXZLYFTYSM-SRVKXCTJSA-N 2 0 239.363 0.905 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000639031859 353301420 /nfs/dbraw/zinc/30/14/20/353301420.db2.gz YFWSYMKTVBYFMX-UZWSLXQKSA-N 2 0 237.347 0.372 20 0 BCADRP [NH3+][C@@H](C(=O)N[C@@H]1CC[C@@H]([NH3+])CC1)C1CCC1 ZINC000639032408 353301902 /nfs/dbraw/zinc/30/19/02/353301902.db2.gz WGOPSPGQWSDUCX-GMTAPVOTSA-N 2 0 225.336 0.500 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)[C@@H](C)[NH3+] ZINC000639032275 353302064 /nfs/dbraw/zinc/30/20/64/353302064.db2.gz PUULNWYJTRDROG-KKOKHZNYSA-N 2 0 241.379 0.992 20 0 BCADRP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)[NH+](C)C ZINC000639030447 353303046 /nfs/dbraw/zinc/30/30/46/353303046.db2.gz VDCRIBFIBWSSND-DCAQKATOSA-N 2 0 227.352 0.713 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639040389 353316188 /nfs/dbraw/zinc/31/61/88/353316188.db2.gz CCCRWSHGWAYOHK-IJLUTSLNSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccnn1C ZINC000253191545 353317725 /nfs/dbraw/zinc/31/77/25/353317725.db2.gz MEHGHSIOTSYCJR-ZYHUDNBSSA-N 2 0 222.336 0.850 20 0 BCADRP [NH3+]C[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000563713881 353358171 /nfs/dbraw/zinc/35/81/71/353358171.db2.gz MXKFWNPVZOLCPV-VXGBXAGGSA-N 2 0 227.352 0.036 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000627077426 363218784 /nfs/dbraw/zinc/21/87/84/363218784.db2.gz BYHCPHGGBKZIDM-QWRGUYRKSA-N 2 0 242.367 0.494 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000132019658 353374738 /nfs/dbraw/zinc/37/47/38/353374738.db2.gz QLSPJOBNKIFZFP-QWRGUYRKSA-N 2 0 227.352 0.762 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000132022128 353374822 /nfs/dbraw/zinc/37/48/22/353374822.db2.gz XIKPTSLAODTATJ-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP Cc1nccn1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283536 538116433 /nfs/dbraw/zinc/11/64/33/538116433.db2.gz OMZCAHSLJCBIRJ-TXEJJXNPSA-N 2 0 220.320 0.343 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000520810192 324110080 /nfs/dbraw/zinc/11/00/80/324110080.db2.gz IRCACJHNFSAVCL-DCAQKATOSA-N 2 0 227.352 0.748 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627080335 363224968 /nfs/dbraw/zinc/22/49/68/363224968.db2.gz POZRMBMHCOONNM-HBNTYKKESA-N 2 0 242.367 0.554 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](C)C[NH3+] ZINC000627080555 363225074 /nfs/dbraw/zinc/22/50/74/363225074.db2.gz DULCXLAJSNPSJT-LPEHRKFASA-N 2 0 228.340 0.021 20 0 BCADRP CCC[N@H+](CC)CCNC1=[NH+]CCCN1 ZINC000081781401 353416919 /nfs/dbraw/zinc/41/69/19/353416919.db2.gz BVEMQOGMAGKLSO-UHFFFAOYSA-N 2 0 212.341 0.657 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000572481625 324122322 /nfs/dbraw/zinc/12/23/22/324122322.db2.gz SLRIQLDIWYCSOC-NHCYSSNCSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000627082378 363231908 /nfs/dbraw/zinc/23/19/08/363231908.db2.gz CKFUWLQWENMWJD-OUAUKWLOSA-N 2 0 240.351 0.163 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000192117060 353542554 /nfs/dbraw/zinc/54/25/54/353542554.db2.gz JEMAQFPESHBLTH-YFKTTZPYSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000193298964 353589096 /nfs/dbraw/zinc/58/90/96/353589096.db2.gz MOWZMTUENHNZKD-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP CC[N@H+](CCNC(=O)CC[C@@H](C)[NH3+])C1CC1 ZINC000193309269 353590054 /nfs/dbraw/zinc/59/00/54/353590054.db2.gz NEFAUEYDEDOURP-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC000366814738 353595433 /nfs/dbraw/zinc/59/54/33/353595433.db2.gz YRQRWAMSORYQBQ-UHFFFAOYSA-N 2 0 225.336 0.293 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CC[NH2+]C1 ZINC000062115323 353551680 /nfs/dbraw/zinc/55/16/80/353551680.db2.gz LVFSJNWEQQVTLY-LBPRGKRZSA-N 2 0 241.379 0.642 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062897069 353573062 /nfs/dbraw/zinc/57/30/62/353573062.db2.gz TYLPOTSIXRVRFG-ZDUSSCGKSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C2([NH3+])CCC2)C1 ZINC000577866483 366091416 /nfs/dbraw/zinc/09/14/16/366091416.db2.gz RDZHNTOOVZWRKO-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP C[C@@H]1CN(C)CCN1C(=O)c1ccnc(C[NH3+])c1 ZINC000231720259 353647034 /nfs/dbraw/zinc/64/70/34/353647034.db2.gz PFCOADCVQYWIGC-SNVBAGLBSA-N 2 0 248.330 0.316 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000627088303 363241095 /nfs/dbraw/zinc/24/10/95/363241095.db2.gz PNJNEJNOLZMBKG-UKKRHICBSA-N 2 0 240.351 0.306 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000165747502 353611034 /nfs/dbraw/zinc/61/10/34/353611034.db2.gz ZSVCAHBWXVUQEP-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H](O)CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000398467489 363246936 /nfs/dbraw/zinc/24/69/36/363246936.db2.gz COFIXQMEHMKRTH-OLZOCXBDSA-N 2 0 244.379 0.584 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627090634 363243328 /nfs/dbraw/zinc/24/33/28/363243328.db2.gz XTGDIQWWGGCJFV-GMTAPVOTSA-N 2 0 242.367 0.424 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000627092760 363250734 /nfs/dbraw/zinc/25/07/34/363250734.db2.gz FOUKRHGHIDHLBJ-SNVBAGLBSA-N 2 0 230.356 0.494 20 0 BCADRP [NH3+][C@@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000195212989 353732270 /nfs/dbraw/zinc/73/22/70/353732270.db2.gz RNTVUZXMALNDBP-FRRDWIJNSA-N 2 0 245.326 0.364 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000627096891 363256997 /nfs/dbraw/zinc/25/69/97/363256997.db2.gz FOCFDDOHPOSSAH-UTLUCORTSA-N 2 0 228.340 0.116 20 0 BCADRP CCC[NH+]1CCC(CNC(=O)[C@H](C)[NH3+])CC1 ZINC000165865296 353757450 /nfs/dbraw/zinc/75/74/50/353757450.db2.gz YCUOKGUJRQZAJO-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C1([NH3+])CCC1 ZINC000220043989 353817330 /nfs/dbraw/zinc/81/73/30/353817330.db2.gz PUHHSHUZXUBVCX-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000627108363 363266901 /nfs/dbraw/zinc/26/69/01/363266901.db2.gz SVQTXNUZQZLZCP-RKDXNWHRSA-N 2 0 216.329 0.102 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000639154229 353857880 /nfs/dbraw/zinc/85/78/80/353857880.db2.gz HRVJVPZAOZOCQA-NSHDSACASA-N 2 0 242.367 0.427 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000343414951 353879539 /nfs/dbraw/zinc/87/95/39/353879539.db2.gz KFTBMROJRZCIIU-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000343437014 353885893 /nfs/dbraw/zinc/88/58/93/353885893.db2.gz MZCVDMQWJTUQIA-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP O=C(NCCC1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C1 ZINC000627110301 363269956 /nfs/dbraw/zinc/26/99/56/363269956.db2.gz BCUXWCFOLQLUDI-LLVKDONJSA-N 2 0 240.351 0.037 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627106243 363265373 /nfs/dbraw/zinc/26/53/73/363265373.db2.gz GVXUIPJBTHFWCN-VLEAKVRGSA-N 2 0 242.367 0.552 20 0 BCADRP C[C@@H](C(=O)NCC1CCC(C[NH3+])CC1)[C@H](C)[NH3+] ZINC000343606841 353932328 /nfs/dbraw/zinc/93/23/28/353932328.db2.gz IYBQYBWVCCCBCL-QKEWWQLBSA-N 2 0 241.379 0.851 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1c[nH+]ccc1N ZINC000343660119 353943117 /nfs/dbraw/zinc/94/31/17/353943117.db2.gz LNYVFDJWKLXHCD-CBAPKCEASA-N 2 0 220.276 0.056 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC[C@@H]1CCC[NH2+]1 ZINC000343481411 353904596 /nfs/dbraw/zinc/90/45/96/353904596.db2.gz SHYAQUHWOJKWNN-SRVKXCTJSA-N 2 0 239.363 0.633 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000627118924 363284731 /nfs/dbraw/zinc/28/47/31/363284731.db2.gz GSDAZSGJYJDVLG-JTQLQIEISA-N 2 0 240.351 0.119 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CCC[NH2+]1 ZINC000343790705 353995711 /nfs/dbraw/zinc/99/57/11/353995711.db2.gz WKHLBSLAYJHFPY-DMDPSCGWSA-N 2 0 239.363 0.714 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000343644719 353951984 /nfs/dbraw/zinc/95/19/84/353951984.db2.gz DDHFQYCWCZFEDC-NXEZZACHSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000343648313 353953282 /nfs/dbraw/zinc/95/32/82/353953282.db2.gz VNHLPWCEGAGZJG-UZWSLXQKSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529340275 324276686 /nfs/dbraw/zinc/27/66/86/324276686.db2.gz RZZPKCRNORGVTM-LPEHRKFASA-N 2 0 240.351 0.306 20 0 BCADRP CO[C@@H](C[N@H+](C)CCC[NH+](C)C)[C@@H]1CCOC1 ZINC000639167741 354039707 /nfs/dbraw/zinc/03/97/07/354039707.db2.gz KQQZVOFRDRXVPE-OLZOCXBDSA-N 2 0 244.379 0.921 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627126358 363293971 /nfs/dbraw/zinc/29/39/71/363293971.db2.gz RRMGKSLPTMJGSO-VHSXEESVSA-N 2 0 240.351 0.308 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C[C@H](C)[NH3+] ZINC000230711854 363321512 /nfs/dbraw/zinc/32/15/12/363321512.db2.gz FJMHZZLLIBRRKX-JTQLQIEISA-N 2 0 215.341 0.524 20 0 BCADRP Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)CC2 ZINC000344052961 354124170 /nfs/dbraw/zinc/12/41/70/354124170.db2.gz DUNOHPVDPSJLHF-JLLWLGSASA-N 2 0 249.362 0.441 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000334579690 354127337 /nfs/dbraw/zinc/12/73/37/354127337.db2.gz IJETWUNCIYYVJW-YUMQZZPRSA-N 2 0 235.278 0.083 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1CCC[NH2+]C1 ZINC000131922921 188581649 /nfs/dbraw/zinc/58/16/49/188581649.db2.gz VJHBWHVNXBXWGV-WCQYABFASA-N 2 0 241.379 0.866 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000449688899 202002261 /nfs/dbraw/zinc/00/22/61/202002261.db2.gz WTPDARDOMVWPTM-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000449684336 202003163 /nfs/dbraw/zinc/00/31/63/202003163.db2.gz KOAYDVFDRSNVIQ-NEPJUHHUSA-N 2 0 239.363 0.777 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000449706263 202007797 /nfs/dbraw/zinc/00/77/97/202007797.db2.gz MVEYZWXBUMYYEC-MNOVXSKESA-N 2 0 241.379 0.722 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000449723766 202008416 /nfs/dbraw/zinc/00/84/16/202008416.db2.gz MEJWKWBDAFGUBC-GRYCIOLGSA-N 2 0 241.379 0.816 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000449724784 202008928 /nfs/dbraw/zinc/00/89/28/202008928.db2.gz NHEWCVKJTUPBSF-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000449722364 202009417 /nfs/dbraw/zinc/00/94/17/202009417.db2.gz KRDACPGPKUOLKF-QWRGUYRKSA-N 2 0 241.379 0.995 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000449727545 202009554 /nfs/dbraw/zinc/00/95/54/202009554.db2.gz QMUWSLBUSWBUBM-NTZNESFSSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000449723768 202009947 /nfs/dbraw/zinc/00/99/47/202009947.db2.gz MEJWKWBDAFGUBC-IJLUTSLNSA-N 2 0 241.379 0.816 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449747344 202018379 /nfs/dbraw/zinc/01/83/79/202018379.db2.gz IXAMBANNOFQVFK-KXNHARMFSA-N 2 0 237.347 0.195 20 0 BCADRP C[NH+](C)CCOCC[NH2+]Cc1cc[nH]c1 ZINC000231676480 363347559 /nfs/dbraw/zinc/34/75/59/363347559.db2.gz ZZRWFRQZXWBGIM-UHFFFAOYSA-N 2 0 211.309 0.683 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](O)C2)[C@H](C)C1 ZINC000449750951 202019260 /nfs/dbraw/zinc/01/92/60/202019260.db2.gz KIDIEYJJHBGPEF-WISYIIOYSA-N 2 0 212.337 0.830 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(F)F)C[C@@]1(C)C[NH3+] ZINC000578011948 366179203 /nfs/dbraw/zinc/17/92/03/366179203.db2.gz INOYJTGBCZKMSJ-VHSKPIJISA-N 2 0 249.305 0.412 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000178907633 366180157 /nfs/dbraw/zinc/18/01/57/366180157.db2.gz RUHKSSRXGVXRMI-VIFPVBQESA-N 2 0 225.336 0.324 20 0 BCADRP O=C1[C@H](N2CCC[NH2+]CC2)CCN1C1CC1 ZINC000334660238 354459504 /nfs/dbraw/zinc/45/95/04/354459504.db2.gz GBBHHYROHYYBGC-LLVKDONJSA-N 2 0 223.320 0.045 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000334722814 354523063 /nfs/dbraw/zinc/52/30/63/354523063.db2.gz KNSLPGGQHMDNRG-NSHDSACASA-N 2 0 237.347 0.245 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000334763776 354584952 /nfs/dbraw/zinc/58/49/52/354584952.db2.gz ICYYMWXOYMSLDS-NEPJUHHUSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000335093874 354631551 /nfs/dbraw/zinc/63/15/51/354631551.db2.gz KCBKJHTVQZJSOA-LBPRGKRZSA-N 2 0 239.363 0.845 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](C)[C@@H]1C ZINC000345327948 354611830 /nfs/dbraw/zinc/61/18/30/354611830.db2.gz UMBRKEFUIXVEPF-NEPJUHHUSA-N 2 0 241.379 0.926 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000345690172 354732715 /nfs/dbraw/zinc/73/27/15/354732715.db2.gz KEKQNYGRWTYHNR-YPMHNXCESA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]1[C@H](NC(=O)NCC[NH+](C)C)CCC[N@@H+]1C ZINC000345732457 354746617 /nfs/dbraw/zinc/74/66/17/354746617.db2.gz AYUVPQWPJZYDKX-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CCC1CC[NH2+]CC1 ZINC000345747691 354751344 /nfs/dbraw/zinc/75/13/44/354751344.db2.gz BALQTUIGDSMSTO-LBPRGKRZSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000345722789 354743603 /nfs/dbraw/zinc/74/36/03/354743603.db2.gz ROIDKZPGHMOIEW-NHCYSSNCSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H](O)C[C@H](C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000398644110 363393897 /nfs/dbraw/zinc/39/38/97/363393897.db2.gz WANSXFPBASAWFQ-AVGNSLFASA-N 2 0 244.379 0.440 20 0 BCADRP Cc1ccc(CCC[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cn1 ZINC000345999678 354836353 /nfs/dbraw/zinc/83/63/53/354836353.db2.gz WQNUBHKZXZWDRG-UONOGXRCSA-N 2 0 249.358 0.493 20 0 BCADRP C[C@H]1OCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000235586248 363447845 /nfs/dbraw/zinc/44/78/45/363447845.db2.gz HNPSSGQPSFLWLY-MNOVXSKESA-N 2 0 216.325 0.332 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000166055953 354921626 /nfs/dbraw/zinc/92/16/26/354921626.db2.gz NQGWWFAHDKQRTL-WRWGMCAJSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000166067622 355013126 /nfs/dbraw/zinc/01/31/26/355013126.db2.gz BQHCATAPDPDXBB-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449758249 202024800 /nfs/dbraw/zinc/02/48/00/202024800.db2.gz ZPNKYRJYMNKPQB-GARJFASQSA-N 2 0 239.363 0.631 20 0 BCADRP C[N@H+](CCO)C1CCN(CC(C)(C)[NH3+])CC1 ZINC000346831413 355129450 /nfs/dbraw/zinc/12/94/50/355129450.db2.gz LCFCPCFPAYWTOS-UHFFFAOYSA-N 2 0 229.368 0.112 20 0 BCADRP COC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346835826 355131451 /nfs/dbraw/zinc/13/14/51/355131451.db2.gz OENFHLQAOLKLIA-VXGBXAGGSA-N 2 0 240.347 0.871 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000346989446 355189382 /nfs/dbraw/zinc/18/93/82/355189382.db2.gz RLALOXKMEVKCAC-CHWSQXEVSA-N 2 0 225.380 0.870 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000346989451 355189500 /nfs/dbraw/zinc/18/95/00/355189500.db2.gz RLALOXKMEVKCAC-STQMWFEESA-N 2 0 225.380 0.870 20 0 BCADRP C[NH+](C)C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000347000573 355197961 /nfs/dbraw/zinc/19/79/61/355197961.db2.gz ZOHDKCISCLITCG-CYBMUJFWSA-N 3 0 225.380 0.870 20 0 BCADRP C[C@@H]1CN(Cc2cnc(N(C)C)nc2)CC[C@H]1[NH3+] ZINC000347003707 355200702 /nfs/dbraw/zinc/20/07/02/355200702.db2.gz LRDPTQROINLHLB-ZYHUDNBSSA-N 2 0 249.362 0.712 20 0 BCADRP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@@H]1CCC[NH2+]C1 ZINC000347012152 355204289 /nfs/dbraw/zinc/20/42/89/355204289.db2.gz UUOXRSNPRGCFRX-UTUOFQBUSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000094647224 491076337 /nfs/dbraw/zinc/07/63/37/491076337.db2.gz IEZWQPCJFDCHAF-ZYHUDNBSSA-N 2 0 239.363 0.585 20 0 BCADRP COCCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113512949 355249031 /nfs/dbraw/zinc/24/90/31/355249031.db2.gz SSUWUFVAHQXIMD-LLVKDONJSA-N 2 0 200.326 0.906 20 0 BCADRP CCOCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515882 355253014 /nfs/dbraw/zinc/25/30/14/355253014.db2.gz NDISXYAXDOMUDH-LLVKDONJSA-N 2 0 200.326 0.906 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[NH2+]CC1(C)C ZINC000309796027 491076929 /nfs/dbraw/zinc/07/69/29/491076929.db2.gz QDUSUPAVXDIIFN-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP O[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000623748933 355297452 /nfs/dbraw/zinc/29/74/52/355297452.db2.gz OJWXEDZOSYKUIN-LPWJVIDDSA-N 2 0 224.348 0.974 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC1CC[NH+](C)CC1 ZINC000583498199 355331256 /nfs/dbraw/zinc/33/12/56/355331256.db2.gz CPKUCZUOCNJLGB-VHSXEESVSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC1CC[NH+](C)CC1 ZINC000583498197 355331580 /nfs/dbraw/zinc/33/15/80/355331580.db2.gz CPKUCZUOCNJLGB-NXEZZACHSA-N 2 0 242.367 0.506 20 0 BCADRP NC(=[NH2+])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000071536335 181190288 /nfs/dbraw/zinc/19/02/88/181190288.db2.gz KENOWLDMFJBBHY-UHFFFAOYSA-N 2 0 232.331 0.918 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000389597583 355360069 /nfs/dbraw/zinc/36/00/69/355360069.db2.gz QXBYCAYCLLWRFF-WPRPVWTQSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccoc1 ZINC000584345108 355361491 /nfs/dbraw/zinc/36/14/91/355361491.db2.gz CHFUIPLRNKQWOH-LLVKDONJSA-N 2 0 223.320 0.835 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335990380 134040103 /nfs/dbraw/zinc/04/01/03/134040103.db2.gz AUVQFBAVPWSSRQ-YPMHNXCESA-N 2 0 239.363 0.716 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@@H]([NH3+])C(C)C)[C@@H](C)[NH3+] ZINC000422845933 192486694 /nfs/dbraw/zinc/48/66/94/192486694.db2.gz DFBBIMVPRWVNFD-GMTAPVOTSA-N 2 0 229.368 0.705 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOCCO)[C@H](C)C1 ZINC000166458118 355502954 /nfs/dbraw/zinc/50/29/54/355502954.db2.gz ZWTYIDXJACTUMZ-VXGBXAGGSA-N 2 0 230.352 0.315 20 0 BCADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC[NH3+])C1 ZINC000414748499 191559819 /nfs/dbraw/zinc/55/98/19/191559819.db2.gz URCHUXKULFNJKK-ZDUSSCGKSA-N 3 0 243.395 0.768 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000349959298 355538156 /nfs/dbraw/zinc/53/81/56/355538156.db2.gz INCAJVVWKAUPPL-GXFFZTMASA-N 2 0 247.342 0.554 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000349961595 355540814 /nfs/dbraw/zinc/54/08/14/355540814.db2.gz MSQAIHWARFVKMD-GARJFASQSA-N 2 0 227.352 0.713 20 0 BCADRP c1ccc2c(c1)CC([NH2+]CCN1CC[NH2+]CC1)C2 ZINC000414872155 191609659 /nfs/dbraw/zinc/60/96/59/191609659.db2.gz VREQIVYUQFUIMV-UHFFFAOYSA-N 2 0 245.370 0.649 20 0 BCADRP C[C@@H](CC1CC1)[NH2+]CCN1CC[NH2+]CC1 ZINC000414889074 191615321 /nfs/dbraw/zinc/61/53/21/191615321.db2.gz SOIOMAXXPWKPJP-NSHDSACASA-N 2 0 211.353 0.670 20 0 BCADRP CC(C)([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000335831517 355558222 /nfs/dbraw/zinc/55/82/22/355558222.db2.gz KYOKEFOJEVRPNF-UHFFFAOYSA-N 2 0 233.315 0.643 20 0 BCADRP CC(C)C[C@H](CNC(=O)CCC[NH3+])[NH+](C)C ZINC000040831260 191686204 /nfs/dbraw/zinc/68/62/04/191686204.db2.gz XWWOTKOAURPKOX-LLVKDONJSA-N 2 0 229.368 0.818 20 0 BCADRP CN(C(=O)[C@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000335852305 355596553 /nfs/dbraw/zinc/59/65/53/355596553.db2.gz VCJWZWHCAFHDPZ-JQWIXIFHSA-N 2 0 237.347 0.291 20 0 BCADRP C1CC2(C1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)[C@@H]1CCO[C@@H]12 ZINC000415041041 191659840 /nfs/dbraw/zinc/65/98/40/191659840.db2.gz QPIDGNBEBHVDEQ-WTHWOGDNSA-N 2 0 234.343 0.751 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000349984342 355570054 /nfs/dbraw/zinc/57/00/54/355570054.db2.gz DCOUWQNABKRDJC-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000335895524 355689945 /nfs/dbraw/zinc/68/99/45/355689945.db2.gz ZYMODPYWMVXSDB-PWSUYJOCSA-N 2 0 239.363 0.892 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000335895542 355690088 /nfs/dbraw/zinc/69/00/88/355690088.db2.gz WFIMPJBDTYJKCZ-OCCSQVGLSA-N 2 0 247.342 0.884 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)NCCC[NH3+] ZINC000417012113 191774166 /nfs/dbraw/zinc/77/41/66/191774166.db2.gz VRWCPSDPGCMSJA-SNVBAGLBSA-N 2 0 230.356 0.365 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)[C@H](C)OC ZINC000166596315 355709378 /nfs/dbraw/zinc/70/93/78/355709378.db2.gz RTXGJCXKPJZTNO-RYUDHWBXSA-N 2 0 232.368 0.968 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000417315217 191788331 /nfs/dbraw/zinc/78/83/31/191788331.db2.gz BZMCGOFKDUWXJU-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP CCn1ncnc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000639313075 355684558 /nfs/dbraw/zinc/68/45/58/355684558.db2.gz SBESHTYJIBJXMD-PHIMTYICSA-N 2 0 237.351 0.728 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399089193 355836636 /nfs/dbraw/zinc/83/66/36/355836636.db2.gz SNUUCNKEJQXFNK-PWSUYJOCSA-N 2 0 241.379 0.960 20 0 BCADRP C([C@H]1CCC[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336028961 134057897 /nfs/dbraw/zinc/05/78/97/134057897.db2.gz BKVYPCPCHMLVPT-QWHCGFSZSA-N 2 0 223.364 0.671 20 0 BCADRP C[NH+](C)C1(C(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000613268110 355940681 /nfs/dbraw/zinc/94/06/81/355940681.db2.gz ZEASSMWFHHRBER-UHFFFAOYSA-N 2 0 237.347 0.459 20 0 BCADRP FC(F)[C@H]1C[NH2+]CCN1C[C@@H]1CCC[NH2+]C1 ZINC000583630696 355941076 /nfs/dbraw/zinc/94/10/76/355941076.db2.gz PBDARNWFSPXIAJ-NXEZZACHSA-N 2 0 233.306 0.525 20 0 BCADRP CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000336040981 134062158 /nfs/dbraw/zinc/06/21/58/134062158.db2.gz OTVGCBVTDCOQQN-CHWSQXEVSA-N 2 0 225.380 0.964 20 0 BCADRP CC1(C)CCC[C@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000583624969 355894067 /nfs/dbraw/zinc/89/40/67/355894067.db2.gz PIZDKOHLYBWRIH-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NCCC[NH+](C)C)C1 ZINC000167378938 355986332 /nfs/dbraw/zinc/98/63/32/355986332.db2.gz QSQIIHPWWANTLC-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCC[NH+](C)C)C1 ZINC000167379049 355986897 /nfs/dbraw/zinc/98/68/97/355986897.db2.gz QSQIIHPWWANTLC-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)C1 ZINC000417813277 191930275 /nfs/dbraw/zinc/93/02/75/191930275.db2.gz PLPHLEMKTPWIGF-AXFHLTTASA-N 2 0 225.336 0.195 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000417818960 191930309 /nfs/dbraw/zinc/93/03/09/191930309.db2.gz SVFFNOUXJSZLLJ-QWRGUYRKSA-N 2 0 227.352 0.490 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417825891 191931560 /nfs/dbraw/zinc/93/15/60/191931560.db2.gz BTZHPZWZQYSYPE-UTLUCORTSA-N 2 0 213.325 0.323 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000417848637 191936905 /nfs/dbraw/zinc/93/69/05/191936905.db2.gz VXQDWQKBPJOZHZ-QWRGUYRKSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000417848184 191936989 /nfs/dbraw/zinc/93/69/89/191936989.db2.gz VJAWAUHJBIZSCD-OUAUKWLOSA-N 2 0 241.379 0.864 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417847092 191937429 /nfs/dbraw/zinc/93/74/29/191937429.db2.gz ZBBNBESUPPDURA-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP CN(CC[NH3+])C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000417847036 191937685 /nfs/dbraw/zinc/93/76/85/191937685.db2.gz UNXVABGGRHKUSQ-UWVGGRQHSA-N 2 0 213.325 0.311 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN(CC(=O)N(C)C)C1 ZINC000351520929 356007811 /nfs/dbraw/zinc/00/78/11/356007811.db2.gz IKDWZYIYWPZSJK-GFCCVEGCSA-N 2 0 241.379 0.738 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)C[NH2+]C ZINC000167197215 355968383 /nfs/dbraw/zinc/96/83/83/355968383.db2.gz IRUVMRXNIVMREM-WDEREUQCSA-N 2 0 229.368 0.688 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000335911677 356125722 /nfs/dbraw/zinc/12/57/22/356125722.db2.gz ZRNHNDKFZBFRSN-OLZOCXBDSA-N 3 0 223.364 0.670 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC000351861582 356099375 /nfs/dbraw/zinc/09/93/75/356099375.db2.gz KSPBIAGIJBQJNN-WDEREUQCSA-N 2 0 225.336 0.278 20 0 BCADRP CC(C)N1CC[C@@H]([N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)C1=O ZINC000351867615 356102140 /nfs/dbraw/zinc/10/21/40/356102140.db2.gz YXNVNQFCPHHGLM-SDDRHHMPSA-N 2 0 239.363 0.665 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CC[NH3+] ZINC000261535170 535296064 /nfs/dbraw/zinc/29/60/64/535296064.db2.gz NYPAJCPAHYEYSM-JTQLQIEISA-N 2 0 201.314 0.215 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000418260424 192006381 /nfs/dbraw/zinc/00/63/81/192006381.db2.gz PCSHOISDLRMBSR-QWRGUYRKSA-N 2 0 242.367 0.330 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NC[C@H](C)[NH+](C)C ZINC000418269774 192008558 /nfs/dbraw/zinc/00/85/58/192008558.db2.gz YKLIQCDCGQKLHK-JTQLQIEISA-N 2 0 244.383 0.753 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)NCC[NH3+] ZINC000418293759 192018682 /nfs/dbraw/zinc/01/86/82/192018682.db2.gz FZNJUKSFUGDVBO-UHFFFAOYSA-N 2 0 230.356 0.174 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)NCC1([NH3+])CCCCC1 ZINC000418294928 192020011 /nfs/dbraw/zinc/02/00/11/192020011.db2.gz IJTMGZWCLPOUJV-VIFPVBQESA-N 2 0 228.340 0.294 20 0 BCADRP CC[C@H](C)[NH+]1CCN(C(=O)NCC[NH3+])CC1 ZINC000418298279 192020289 /nfs/dbraw/zinc/02/02/89/192020289.db2.gz POYBOWAJVJKTRE-JTQLQIEISA-N 2 0 228.340 0.071 20 0 BCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCC[NH3+] ZINC000418306684 192021153 /nfs/dbraw/zinc/02/11/53/192021153.db2.gz BQDLDJUBIPACOA-LLVKDONJSA-N 2 0 242.367 0.318 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCC[NH2+]C)C1 ZINC000418313130 192022382 /nfs/dbraw/zinc/02/23/82/192022382.db2.gz BMAQRBIZJBBFRQ-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP CC[NH2+]CCNC(=O)NC(C)(C)C[NH+](C)C ZINC000418315153 192023012 /nfs/dbraw/zinc/02/30/12/192023012.db2.gz GSOKVSGHPLPYDE-UHFFFAOYSA-N 2 0 230.356 0.235 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418314066 192023133 /nfs/dbraw/zinc/02/31/33/192023133.db2.gz DBQHCNIDGKNHTR-UWVGGRQHSA-N 2 0 228.340 0.165 20 0 BCADRP C[NH2+]CCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418319740 192023761 /nfs/dbraw/zinc/02/37/61/192023761.db2.gz RNOPBXWEDPABPX-SNVBAGLBSA-N 2 0 228.340 0.023 20 0 BCADRP CC[NH2+]CCNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418320016 192024105 /nfs/dbraw/zinc/02/41/05/192024105.db2.gz SAJKOHRYYTWYSG-QWRGUYRKSA-N 2 0 242.367 0.413 20 0 BCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCC[NH3+] ZINC000418292957 192017472 /nfs/dbraw/zinc/01/74/72/192017472.db2.gz DJZCDKFLHBXPDI-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP O=C(NCCC[NH2+]C1CC1)N[C@H]1CCC[NH2+]C1 ZINC000418292974 192017500 /nfs/dbraw/zinc/01/75/00/192017500.db2.gz ZCQJBCBXLPBOHK-NSHDSACASA-N 2 0 240.351 0.180 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH3+])C1 ZINC000418293487 192018285 /nfs/dbraw/zinc/01/82/85/192018285.db2.gz FPKWYDIAPXHGQD-JTQLQIEISA-N 2 0 228.340 0.069 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000332122192 356208864 /nfs/dbraw/zinc/20/88/64/356208864.db2.gz HUVQVUVSSIOBON-WDEREUQCSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)[C@@H](CO)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000394058391 356238088 /nfs/dbraw/zinc/23/80/88/356238088.db2.gz DLBYPTSSISFULS-OLZOCXBDSA-N 2 0 244.379 0.297 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420292653 192203812 /nfs/dbraw/zinc/20/38/12/192203812.db2.gz PTVGENXVUHWYOO-VXGBXAGGSA-N 3 0 211.353 0.670 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000420297963 192205319 /nfs/dbraw/zinc/20/53/19/192205319.db2.gz ZGXVKPYQMJDBKA-ZJUUUORDSA-N 2 0 214.309 0.609 20 0 BCADRP CCNC(=O)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336124885 134092497 /nfs/dbraw/zinc/09/24/97/134092497.db2.gz FRMDGNGVLLAFLO-LBPRGKRZSA-N 2 0 225.336 0.150 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420319077 192195579 /nfs/dbraw/zinc/19/55/79/192195579.db2.gz OUWBHBDHOYRENH-MNOVXSKESA-N 2 0 228.336 0.997 20 0 BCADRP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000617752644 356311455 /nfs/dbraw/zinc/31/14/55/356311455.db2.gz RGLIXDKYQPWZAH-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000617752641 356311753 /nfs/dbraw/zinc/31/17/53/356311753.db2.gz RGLIXDKYQPWZAH-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP CC1(C)CN(C(=O)NC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000333897620 356317745 /nfs/dbraw/zinc/31/77/45/356317745.db2.gz ZICKMYYNZGGTBP-SNVBAGLBSA-N 2 0 240.351 0.132 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420294134 192202702 /nfs/dbraw/zinc/20/27/02/192202702.db2.gz SLIWOBNOTXABAX-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)[C@H](C)CN1 ZINC000420332795 192214175 /nfs/dbraw/zinc/21/41/75/192214175.db2.gz BZAXWAKKLXTNRQ-UTUOFQBUSA-N 2 0 211.353 0.668 20 0 BCADRP NC(=O)[C@@H]1CCCCN1C[C@@H]1CCC[NH2+]C1 ZINC000043493588 181268305 /nfs/dbraw/zinc/26/83/05/181268305.db2.gz QZAKYZBDSVVXHF-MNOVXSKESA-N 2 0 225.336 0.326 20 0 BCADRP COC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332537 192215074 /nfs/dbraw/zinc/21/50/74/192215074.db2.gz RUNTVKIOROCUBD-QWRGUYRKSA-N 2 0 226.320 0.481 20 0 BCADRP C[C@@H]1CNC[C@H](C)[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420302237 192207673 /nfs/dbraw/zinc/20/76/73/192207673.db2.gz BMZPOMJIPWDSGC-GRYCIOLGSA-N 2 0 211.353 0.668 20 0 BCADRP COC(=O)CC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420307866 192208549 /nfs/dbraw/zinc/20/85/49/192208549.db2.gz NBBIXORXRFXNHM-UHFFFAOYSA-N 2 0 226.320 0.625 20 0 BCADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)NC(C)(C)C ZINC000420304249 192209524 /nfs/dbraw/zinc/20/95/24/192209524.db2.gz LIJTVDVYPALLCZ-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)(C)[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C(N)=O ZINC000420304837 192209547 /nfs/dbraw/zinc/20/95/47/192209547.db2.gz OSUBFMOPOHNRBF-WDEREUQCSA-N 2 0 241.379 0.866 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000420312973 192210238 /nfs/dbraw/zinc/21/02/38/192210238.db2.gz SUDWXZKDYQZCQX-TUAOUCFPSA-N 2 0 239.363 0.524 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420312972 192211376 /nfs/dbraw/zinc/21/13/76/192211376.db2.gz SUDWXZKDYQZCQX-SRVKXCTJSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@@H]1NCC[N@H+](CC[C@H]2CC[NH2+]C2)[C@H]1C ZINC000420313187 192211692 /nfs/dbraw/zinc/21/16/92/192211692.db2.gz PIKDTOJHKRQKTK-SDDRHHMPSA-N 2 0 211.353 0.668 20 0 BCADRP CNC(=O)CCC[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420367772 192225909 /nfs/dbraw/zinc/22/59/09/192225909.db2.gz WCFUGAKUJXIOHR-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP CCOC(=O)CC[N@H+](C)C1CC([NH3+])C1 ZINC000420323289 192228602 /nfs/dbraw/zinc/22/86/02/192228602.db2.gz BGOJXAIVJPXVQQ-UHFFFAOYSA-N 2 0 200.282 0.361 20 0 BCADRP C[C@H](N)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327918 192229450 /nfs/dbraw/zinc/22/94/50/192229450.db2.gz LSCYMIUSFAQSTB-SRVKXCTJSA-N 2 0 211.353 0.655 20 0 BCADRP C[NH2+]CCCN1CC[NH2+]C[C@@](C)(F)C1 ZINC000420325388 192230124 /nfs/dbraw/zinc/23/01/24/192230124.db2.gz DDJGWGFDLRGAHT-SNVBAGLBSA-N 2 0 203.305 0.229 20 0 BCADRP COC(=O)[C@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420357022 192220018 /nfs/dbraw/zinc/22/00/18/192220018.db2.gz HJYSHGKAHPDBIQ-GHMZBOCLSA-N 2 0 226.320 0.623 20 0 BCADRP CN(CCC[NH+]1CCCCC1)C[C@H](O)C[NH3+] ZINC000420361544 192222623 /nfs/dbraw/zinc/22/26/23/192222623.db2.gz YIJVRNQBHHSROJ-GFCCVEGCSA-N 2 0 229.368 0.114 20 0 BCADRP COC[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000420368278 192224934 /nfs/dbraw/zinc/22/49/34/192224934.db2.gz HYFUISVWYGQKOI-UPJWGTAASA-N 2 0 242.363 0.722 20 0 BCADRP CC(C)[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000420366444 192225616 /nfs/dbraw/zinc/22/56/16/192225616.db2.gz UOZYLSMLZGZABM-ZDUSSCGKSA-N 2 0 241.379 0.248 20 0 BCADRP CCN(C)C(=O)CC[N@H+](C)CCC[NH2+]C ZINC000420381965 192235174 /nfs/dbraw/zinc/23/51/74/192235174.db2.gz CZLOJVFHSYPLAS-UHFFFAOYSA-N 2 0 215.341 0.396 20 0 BCADRP C[NH2+]CCC[N@H+](C)CCC1CC[NH2+]CC1 ZINC000420391377 192236909 /nfs/dbraw/zinc/23/69/09/192236909.db2.gz SGRUVOUJKRYSRS-UHFFFAOYSA-N 3 0 213.369 0.917 20 0 BCADRP C[C@H]([NH3+])CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420396092 192237176 /nfs/dbraw/zinc/23/71/76/192237176.db2.gz LRCGAMBZERSXOG-SDDRHHMPSA-N 2 0 211.353 0.798 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000011754920 356421111 /nfs/dbraw/zinc/42/11/11/356421111.db2.gz YCIQSPQPNPYCAK-VIFPVBQESA-N 2 0 233.381 0.135 20 0 BCADRP C[N@@H+]1CC[C@@H](NCC[NH3+])[C@@H]1c1ccccc1 ZINC000420408703 192239043 /nfs/dbraw/zinc/23/90/43/192239043.db2.gz PSJHXUWBUSXPBR-OLZOCXBDSA-N 2 0 219.332 0.980 20 0 BCADRP C[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000420415822 192240629 /nfs/dbraw/zinc/24/06/29/192240629.db2.gz VIKCKHBHBULERH-UPJWGTAASA-N 3 0 225.380 0.903 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420418597 192240832 /nfs/dbraw/zinc/24/08/32/192240832.db2.gz XAHWVMOAWHTMNA-QWRGUYRKSA-N 2 0 228.336 0.856 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000019410901 356483395 /nfs/dbraw/zinc/48/33/95/356483395.db2.gz KGDOZCRMSMHDNF-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)[NH3+] ZINC000019422960 356483522 /nfs/dbraw/zinc/48/35/22/356483522.db2.gz YDXVGWGFLSXDFX-QWRGUYRKSA-N 2 0 229.368 0.960 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000429492914 192289132 /nfs/dbraw/zinc/28/91/32/192289132.db2.gz PWZKAZQEIWAKEA-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000578130786 366291834 /nfs/dbraw/zinc/29/18/34/366291834.db2.gz DGKDKUPHFODYIO-VHSXEESVSA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000639634368 356548870 /nfs/dbraw/zinc/54/88/70/356548870.db2.gz IKBZNOOYLWNSSV-NWDGAFQWSA-N 2 0 241.379 0.926 20 0 BCADRP CC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000639646024 356559089 /nfs/dbraw/zinc/55/90/89/356559089.db2.gz MYHZBDQKGJRBRC-UHFFFAOYSA-N 2 0 229.368 0.391 20 0 BCADRP CC(C)NC(=O)CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422948057 192510649 /nfs/dbraw/zinc/51/06/49/192510649.db2.gz ZIAQJPMIHLHRJZ-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627205544 363501709 /nfs/dbraw/zinc/50/17/09/363501709.db2.gz BSQFOAJWTRVCRS-HBNTYKKESA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)N(C)CC(C)(C)[NH3+])C[NH2+]1 ZINC000627210186 363505395 /nfs/dbraw/zinc/50/53/95/363505395.db2.gz NHSJOEDGRWNITO-ZJUUUORDSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)C1C[NH2+]C1 ZINC000422919377 192505617 /nfs/dbraw/zinc/50/56/17/192505617.db2.gz JSYZSDBFXGPVMD-DMWPJOQESA-N 2 0 237.347 0.193 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627208051 363506200 /nfs/dbraw/zinc/50/62/00/363506200.db2.gz GEDGVUCAEVGPHX-LMLFDSFASA-N 2 0 240.351 0.177 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC([NH3+])CC1 ZINC000627225747 363551771 /nfs/dbraw/zinc/55/17/71/363551771.db2.gz BNROKOCNDSKNER-NSHDSACASA-N 2 0 240.351 0.213 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000627226414 363553341 /nfs/dbraw/zinc/55/33/41/363553341.db2.gz KSQIUQAWYDPCCY-JTQLQIEISA-N 2 0 242.367 0.459 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000582242184 356671778 /nfs/dbraw/zinc/67/17/78/356671778.db2.gz JQMZWHNVNMDBMW-TUAOUCFPSA-N 2 0 239.363 0.666 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167678528 134153589 /nfs/dbraw/zinc/15/35/89/134153589.db2.gz QHEVVPLKUDQDTG-QWRGUYRKSA-N 2 0 228.336 0.856 20 0 BCADRP C[C@@H](O)CCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761859 356679706 /nfs/dbraw/zinc/67/97/06/356679706.db2.gz FMTAQFZVIKYROW-CHWSQXEVSA-N 2 0 244.379 0.536 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[NH+](C)C)[C@H]1C[NH3+] ZINC000167948939 134155098 /nfs/dbraw/zinc/15/50/98/134155098.db2.gz XGADWNMWFKJVAC-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC000036192235 356707168 /nfs/dbraw/zinc/70/71/68/356707168.db2.gz SDFARXHROFNTKZ-ZYHUDNBSSA-N 2 0 241.379 0.912 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000353787270 356718908 /nfs/dbraw/zinc/71/89/08/356718908.db2.gz PUYZUFNTUZCXHY-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C(N)=O)CC1(C)C ZINC000623361155 356807290 /nfs/dbraw/zinc/80/72/90/356807290.db2.gz PHRIIEUQVVBSQY-SNVBAGLBSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH+]1CCC(CCNC(=O)[C@H](C)C[NH3+])CC1 ZINC000357241218 356820423 /nfs/dbraw/zinc/82/04/23/356820423.db2.gz MYZSVBYHNRZHKE-LLVKDONJSA-N 2 0 241.379 0.819 20 0 BCADRP C[C@H]1CC[C@@H]([NH2+]CCN2CC[C@@H](O)C2)C1 ZINC000623759008 356821128 /nfs/dbraw/zinc/82/11/28/356821128.db2.gz WLHFDNKVLFMRQZ-QJPTWQEYSA-N 2 0 212.337 0.831 20 0 BCADRP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)[C@@H]1C[C@@H]1C ZINC000423207428 192628260 /nfs/dbraw/zinc/62/82/60/192628260.db2.gz RLVOBHHSKYWJEK-XQQFMLRXSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)[C@@H]1C ZINC000423193827 192620411 /nfs/dbraw/zinc/62/04/11/192620411.db2.gz XFIZVBRUZDETNK-JHJVBQTASA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000582300232 357036475 /nfs/dbraw/zinc/03/64/75/357036475.db2.gz MNKOCCWQMZEBAU-ZYHUDNBSSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H](Cc1ccoc1)[NH2+]CCN1CC[NH2+]CC1 ZINC000423212034 192629518 /nfs/dbraw/zinc/62/95/18/192629518.db2.gz ZLQHQIMIUTYAQZ-GFCCVEGCSA-N 2 0 237.347 0.705 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)CCC[NH3+] ZINC000389718675 357018810 /nfs/dbraw/zinc/01/88/10/357018810.db2.gz OUNYNXMOWKRJJA-JTQLQIEISA-N 2 0 201.314 0.215 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000582359208 357103363 /nfs/dbraw/zinc/10/33/63/357103363.db2.gz XUCVTDBFJPZWHK-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+]CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423239977 192646292 /nfs/dbraw/zinc/64/62/92/192646292.db2.gz GMIINQTZOMWZKL-RYUDHWBXSA-N 2 0 205.305 0.940 20 0 BCADRP C[NH2+]CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000390610936 357107210 /nfs/dbraw/zinc/10/72/10/357107210.db2.gz FCGKYDCKFHVACM-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000390614820 357107296 /nfs/dbraw/zinc/10/72/96/357107296.db2.gz GNVWMHMPTFNPOZ-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]([NH3+])c1ccc(NC(=O)CC[NH3+])cc1 ZINC000390604594 357112045 /nfs/dbraw/zinc/11/20/45/357112045.db2.gz CFITXDSBWIVFGO-MRVPVSSYSA-N 2 0 207.277 0.994 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)CC1(C[NH3+])CC1 ZINC000582354957 357094888 /nfs/dbraw/zinc/09/48/88/357094888.db2.gz GJURIGXOLIMVOL-SNVBAGLBSA-N 2 0 225.336 0.455 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000582409956 357137282 /nfs/dbraw/zinc/13/72/82/357137282.db2.gz LSZAOHHDVBFPKB-JQWIXIFHSA-N 2 0 227.352 0.762 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CC(F)F ZINC000582421249 357143642 /nfs/dbraw/zinc/14/36/42/357143642.db2.gz LQWFHNXDXKGARC-HTQZYQBOSA-N 2 0 237.294 0.459 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@H+](C)C[C@H]1CCCOC1 ZINC000582425712 357145814 /nfs/dbraw/zinc/14/58/14/357145814.db2.gz KMUJICHECVJQGG-NEPJUHHUSA-N 2 0 230.352 0.315 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000423273859 192667613 /nfs/dbraw/zinc/66/76/13/192667613.db2.gz LJHARLDLDJPFJF-UKKRHICBSA-N 2 0 200.326 0.997 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000392806186 357234759 /nfs/dbraw/zinc/23/47/59/357234759.db2.gz CKTRVLHYWXYDSD-NWDGAFQWSA-N 2 0 237.347 0.363 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@]2(O)CCSC2)CC1 ZINC000122404177 357177333 /nfs/dbraw/zinc/17/73/33/357177333.db2.gz YGLBSVXPUURUFG-GFCCVEGCSA-N 2 0 244.404 0.928 20 0 BCADRP C[NH2+][C@@H](C)Cc1noc(C[NH2+]CC2CC2)n1 ZINC000583692905 357179996 /nfs/dbraw/zinc/17/99/96/357179996.db2.gz MTMDPLBLDDATIJ-QMMMGPOBSA-N 2 0 224.308 0.720 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000381452704 357186695 /nfs/dbraw/zinc/18/66/95/357186695.db2.gz IBBAZHDRLQLJFK-UTLUCORTSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H](C(=O)NCC1=CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000393773004 357298589 /nfs/dbraw/zinc/29/85/89/357298589.db2.gz KMYARMCDAWNWCQ-BDAKNGLRSA-N 2 0 211.309 0.006 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)CCC[NH3+])CC1 ZINC000393811039 357301213 /nfs/dbraw/zinc/30/12/13/357301213.db2.gz VPHQREGYQXHDFL-SECBINFHSA-N 2 0 213.325 0.311 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217384421 357259837 /nfs/dbraw/zinc/25/98/37/357259837.db2.gz DGXKQWNVBIFJGM-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000582724672 357372630 /nfs/dbraw/zinc/37/26/30/357372630.db2.gz CGHSZIONICYXPM-DCAQKATOSA-N 2 0 227.352 0.413 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000582488066 357318481 /nfs/dbraw/zinc/31/84/81/357318481.db2.gz PSWOBNAYINWJPU-SKDRFNHKSA-N 2 0 246.314 0.318 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NCC2([NH3+])CCC2)cc1 ZINC000582604427 357348235 /nfs/dbraw/zinc/34/82/35/357348235.db2.gz FDTDXOQEQHXTNO-UHFFFAOYSA-N 2 0 233.315 0.757 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000582605315 357349228 /nfs/dbraw/zinc/34/92/28/357349228.db2.gz PJNKCHMXJJABAM-ZYHUDNBSSA-N 2 0 235.331 0.582 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000582667749 357358522 /nfs/dbraw/zinc/35/85/22/357358522.db2.gz ZYCXYINERFMSAW-NRPADANISA-N 2 0 213.325 0.356 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423297691 192686651 /nfs/dbraw/zinc/68/66/51/192686651.db2.gz LKNQFOYHANFIBY-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](C[NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000582964314 357441205 /nfs/dbraw/zinc/44/12/05/357441205.db2.gz MRAZRRXTZSBUMY-SSDOTTSWSA-N 2 0 210.281 0.860 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000582784106 357392518 /nfs/dbraw/zinc/39/25/18/357392518.db2.gz GCAZPBCYSAQUPB-NSHDSACASA-N 2 0 239.294 0.204 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000582786787 357394284 /nfs/dbraw/zinc/39/42/84/357394284.db2.gz FTRUPNMUWDVKNW-ZJUUUORDSA-N 2 0 246.314 0.461 20 0 BCADRP C[C@@]1(CNC(=O)C[NH2+]C2CC2)CCC[NH2+]C1 ZINC000582835452 357411621 /nfs/dbraw/zinc/41/16/21/357411621.db2.gz SKZPVDQBRKRMLQ-GFCCVEGCSA-N 2 0 225.336 0.244 20 0 BCADRP CN(C(=O)CC[C@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000582904076 357427016 /nfs/dbraw/zinc/42/70/16/357427016.db2.gz YEAJRIOUJKBYMU-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000582903563 357427432 /nfs/dbraw/zinc/42/74/32/357427432.db2.gz IIBDUVFQYDIHLB-HBNTYKKESA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1C[C@H](C)N(Cc2ncnn2C)C[C@@H]1C[NH3+] ZINC000397340889 357512276 /nfs/dbraw/zinc/51/22/76/357512276.db2.gz AVSIDOVHZJHBAN-VWYCJHECSA-N 2 0 237.351 0.620 20 0 BCADRP O=C(CC1CC[NH2+]CC1)NCC1CC[NH2+]CC1 ZINC000583023922 357452423 /nfs/dbraw/zinc/45/24/23/357452423.db2.gz VKVQWDZUWZCENP-UHFFFAOYSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@@H]1C[C@@H](C)N(Cc2ncnn2C)C[C@@H]1C[NH3+] ZINC000397340873 357512997 /nfs/dbraw/zinc/51/29/97/357512997.db2.gz AVSIDOVHZJHBAN-MXWKQRLJSA-N 2 0 237.351 0.620 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000583074209 357472906 /nfs/dbraw/zinc/47/29/06/357472906.db2.gz PGPWTBUVFBYNIB-NXEZZACHSA-N 2 0 230.356 0.409 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000583082691 357474208 /nfs/dbraw/zinc/47/42/08/357474208.db2.gz PFJPGUGYRSINFQ-PWSUYJOCSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000583143108 357493414 /nfs/dbraw/zinc/49/34/14/357493414.db2.gz VXZZTYSPTJPSME-UWVGGRQHSA-N 2 0 225.336 0.359 20 0 BCADRP COCC1(C[NH2+][C@H]2CCCNC2)CC[NH2+]CC1 ZINC000583143551 357494062 /nfs/dbraw/zinc/49/40/62/357494062.db2.gz PPUCMHAUWAQFAS-LBPRGKRZSA-N 2 0 241.379 0.344 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188692122 357572861 /nfs/dbraw/zinc/57/28/61/357572861.db2.gz YLOIYBAHIGJBQL-LBPRGKRZSA-N 2 0 233.315 0.643 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N(CC)CCC[NH+](C)C ZINC000230711137 357573096 /nfs/dbraw/zinc/57/30/96/357573096.db2.gz ZVLIWEQPFWQSHV-NSHDSACASA-N 2 0 229.368 0.914 20 0 BCADRP CCN(CCC[NH+](CC)CC)C(=O)[C@@H](C)[NH3+] ZINC000230712630 357573438 /nfs/dbraw/zinc/57/34/38/357573438.db2.gz SZUBTQMDMBXVEA-LLVKDONJSA-N 2 0 229.368 0.914 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000230711935 357573632 /nfs/dbraw/zinc/57/36/32/357573632.db2.gz GQQFEQUPAIURPJ-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]([NH2+]CCC(N)=O)C(C)(C)C[NH+](C)C ZINC000583199166 357516733 /nfs/dbraw/zinc/51/67/33/357516733.db2.gz BBCOZTNURDFLDA-SECBINFHSA-N 2 0 215.341 0.428 20 0 BCADRP C[C@H]([NH2+]CCC(N)=O)C(C)(C)C[NH+](C)C ZINC000583199167 357516781 /nfs/dbraw/zinc/51/67/81/357516781.db2.gz BBCOZTNURDFLDA-VIFPVBQESA-N 2 0 215.341 0.428 20 0 BCADRP C[NH+](C)CC[C@@H]([NH2+]CCC(N)=O)C(C)(C)C ZINC000583199363 357516791 /nfs/dbraw/zinc/51/67/91/357516791.db2.gz MEGNRMVXXDZDJK-SNVBAGLBSA-N 2 0 229.368 0.818 20 0 BCADRP CCCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178693 357552698 /nfs/dbraw/zinc/55/26/98/357552698.db2.gz HAKCACGZBSXQBY-NSHDSACASA-N 2 0 227.352 0.573 20 0 BCADRP O[C@@H](C[NH2+]CC[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000231708353 357623074 /nfs/dbraw/zinc/62/30/74/357623074.db2.gz XVXJFLKYFICOLT-STQMWFEESA-N 2 0 242.363 0.459 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)CCO1 ZINC000231676242 357620098 /nfs/dbraw/zinc/62/00/98/357620098.db2.gz BRIPWSTZDHTMBB-NWDGAFQWSA-N 2 0 230.352 0.722 20 0 BCADRP C[NH+](C)CCn1cc([C@@H]2CCCC[NH2+]2)nn1 ZINC000685946659 538886310 /nfs/dbraw/zinc/88/63/10/538886310.db2.gz MBWZMLPQRDFDNQ-JTQLQIEISA-N 2 0 223.324 0.654 20 0 BCADRP CC[NH+](CC)CC(=O)NCC[NH+]1CCCCC1 ZINC000063756516 357716747 /nfs/dbraw/zinc/71/67/47/357716747.db2.gz QGCPOTYSXCGFGP-UHFFFAOYSA-N 2 0 241.379 0.930 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCCOCC[NH+](C)C ZINC000233403892 357722699 /nfs/dbraw/zinc/72/26/99/357722699.db2.gz IYCLHQXBHDAGOK-LBPRGKRZSA-N 2 0 245.367 0.198 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCOCC[NH+](C)C ZINC000234002411 357768247 /nfs/dbraw/zinc/76/82/47/357768247.db2.gz GWMBNQDZEWDBRF-QWRGUYRKSA-N 2 0 245.367 0.054 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000086067423 357801785 /nfs/dbraw/zinc/80/17/85/357801785.db2.gz IHMNUGNNSOGXCQ-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086066966 357810170 /nfs/dbraw/zinc/81/01/70/357810170.db2.gz SRNOAJDSBCWREZ-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP CSC1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000235247908 357858535 /nfs/dbraw/zinc/85/85/35/357858535.db2.gz KRQZFDYSJSNIPH-NSHDSACASA-N 2 0 244.404 0.928 20 0 BCADRP C[C@@H]1C[C@@H](C(=O)NCCn2ccnc2)CC[NH2+]1 ZINC000235381745 357858944 /nfs/dbraw/zinc/85/89/44/357858944.db2.gz USNBFHGGSIYBFG-MNOVXSKESA-N 2 0 236.319 0.387 20 0 BCADRP C[C@@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)CC[NH2+]1 ZINC000235382586 357859401 /nfs/dbraw/zinc/85/94/01/357859401.db2.gz ADBNJBKMMCRFDJ-WOPDTQHZSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1C[C@@H](C(=O)NCC[N@H+](C)C2CC2)CC[NH2+]1 ZINC000235379760 357859455 /nfs/dbraw/zinc/85/94/55/357859455.db2.gz IXQMZZOYVCLSAY-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000132973598 325257960 /nfs/dbraw/zinc/25/79/60/325257960.db2.gz OQVMXYUGNLLGJF-AXFHLTTASA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1C[C@H](C(=O)N2CCC[N@H+](C)CC2)CC[NH2+]1 ZINC000235346760 357867169 /nfs/dbraw/zinc/86/71/69/357867169.db2.gz OUSKZRIEJJRGMW-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000399082186 357896150 /nfs/dbraw/zinc/89/61/50/357896150.db2.gz SJTNNHGZFJYXED-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@](C)(CO)C(C)C ZINC000398526131 357887183 /nfs/dbraw/zinc/88/71/83/357887183.db2.gz VPTSGEPKCSYDEL-VXGBXAGGSA-N 2 0 232.368 0.296 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)CC2CC[NH2+]CC2)C1 ZINC000584412261 357914651 /nfs/dbraw/zinc/91/46/51/357914651.db2.gz WKCXGZOFLGUQST-NEPJUHHUSA-N 2 0 239.363 0.620 20 0 BCADRP OC1(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000583747868 357933071 /nfs/dbraw/zinc/93/30/71/357933071.db2.gz HXQYZRBKWDTBPL-NSHDSACASA-N 2 0 224.348 0.975 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000583751866 357934119 /nfs/dbraw/zinc/93/41/19/357934119.db2.gz CWSGMAZJRRJWMT-MEWQQHAOSA-N 2 0 237.347 0.100 20 0 BCADRP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH+](C)C)CC2)C1 ZINC000583762642 357938494 /nfs/dbraw/zinc/93/84/94/357938494.db2.gz ASPHKOFVCWPSLN-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[C@@H](C)C[C@H]1CO ZINC000639937714 357939226 /nfs/dbraw/zinc/93/92/26/357939226.db2.gz CURSPVFXFYGRBY-AGIUHOORSA-N 2 0 244.379 0.392 20 0 BCADRP C[C@H]([NH2+]C[C@H](CO)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000584463670 357980002 /nfs/dbraw/zinc/98/00/02/357980002.db2.gz DDDBTZSHAVLERN-CYZMBNFOSA-N 2 0 226.364 0.983 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000584474993 357991277 /nfs/dbraw/zinc/99/12/77/357991277.db2.gz PRKGYIYDSLUGPG-WDEREUQCSA-N 2 0 246.376 0.168 20 0 BCADRP NC(=O)c1ccc(CN2CCC[C@H]([NH3+])C2)cc1 ZINC000041029235 181294273 /nfs/dbraw/zinc/29/42/73/181294273.db2.gz NSNMCTKMRYJEGR-LBPRGKRZSA-N 2 0 233.315 0.709 20 0 BCADRP CC[NH+](CC)CCNC(=O)CC[NH2+]C(C)C ZINC000037480061 358072071 /nfs/dbraw/zinc/07/20/71/358072071.db2.gz OPMPWTJKZRCSLU-UHFFFAOYSA-N 2 0 229.368 0.833 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000037484153 358073178 /nfs/dbraw/zinc/07/31/78/358073178.db2.gz OEAOTKUABHNFFP-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP COCCC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000583872631 358081786 /nfs/dbraw/zinc/08/17/86/358081786.db2.gz WLDLQQQJEMUULB-OLZOCXBDSA-N 2 0 242.363 0.851 20 0 BCADRP O=C(CC[NH2+]C1CC1)NCCC[NH+]1CCCC1 ZINC000037612173 358083254 /nfs/dbraw/zinc/08/32/54/358083254.db2.gz NKRGYRVIEONZGN-UHFFFAOYSA-N 2 0 239.363 0.731 20 0 BCADRP CC[NH+](CC)CCCNC(=O)CC[NH2+]C1CC1 ZINC000037611969 358083657 /nfs/dbraw/zinc/08/36/57/358083657.db2.gz BFDIUYUCAKFBDO-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000169240495 134250292 /nfs/dbraw/zinc/25/02/92/134250292.db2.gz YJXOSNHSJGBXNI-NWDGAFQWSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000584598443 358112237 /nfs/dbraw/zinc/11/22/37/358112237.db2.gz ISBKWLXINAYNDT-QWHCGFSZSA-N 2 0 240.395 0.093 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000584589395 358103362 /nfs/dbraw/zinc/10/33/62/358103362.db2.gz OZIKXNINCXGXHA-ONGXEEELSA-N 2 0 225.336 0.182 20 0 BCADRP CC[NH+]1CCC(NC(=O)CC[NH2+]C(C)C)CC1 ZINC000038098316 358107270 /nfs/dbraw/zinc/10/72/70/358107270.db2.gz INIFPZBIGJPUGO-UHFFFAOYSA-N 2 0 241.379 0.975 20 0 BCADRP [NH3+]CC[C@H](N[C@H]1CCC[NH2+]C1)C(F)F ZINC000584593664 358110907 /nfs/dbraw/zinc/11/09/07/358110907.db2.gz LNSSEDTWMOJNCL-YUMQZZPRSA-N 2 0 207.268 0.311 20 0 BCADRP COC[C@](C)(O)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000584665372 358127052 /nfs/dbraw/zinc/12/70/52/358127052.db2.gz KCXVPOPUVSSQFP-SDDRHHMPSA-N 2 0 230.352 0.633 20 0 BCADRP CO[C@@H](C[NH3+])CC(=O)NCC1([NH3+])CCCCC1 ZINC000584719376 358161487 /nfs/dbraw/zinc/16/14/87/358161487.db2.gz QRHDYAHFTGIETD-SNVBAGLBSA-N 2 0 243.351 0.128 20 0 BCADRP NCC(F)(F)CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000584727520 358167232 /nfs/dbraw/zinc/16/72/32/358167232.db2.gz GVWGTPADHQDFJD-HTQZYQBOSA-N 2 0 235.278 0.357 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000584781957 358177031 /nfs/dbraw/zinc/17/70/31/358177031.db2.gz QXPWPKUQBDZTEB-MFKMUULPSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1CCN(C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000584783014 358177263 /nfs/dbraw/zinc/17/72/63/358177263.db2.gz IOLPGLMWEAXVNW-GHMZBOCLSA-N 2 0 240.351 0.023 20 0 BCADRP Cc1ncc(CN[C@@H](C)[C@H]2CCC[NH2+]2)c(=O)[nH]1 ZINC000584714879 358159891 /nfs/dbraw/zinc/15/98/91/358159891.db2.gz KTIDKDLRQPSYGQ-GZMMTYOYSA-N 2 0 236.319 0.721 20 0 BCADRP CN(CCC[NH3+])C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000584849132 358208727 /nfs/dbraw/zinc/20/87/27/358208727.db2.gz GLBVNIPGBXYUNV-QWRGUYRKSA-N 2 0 242.367 0.494 20 0 BCADRP COCC[N@H+](C)CCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000584850672 358209371 /nfs/dbraw/zinc/20/93/71/358209371.db2.gz QFLDGONIUYMNQH-STQMWFEESA-N 2 0 243.395 0.814 20 0 BCADRP C[C@H](CN1CCCC1=O)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000222968476 358216423 /nfs/dbraw/zinc/21/64/23/358216423.db2.gz UOGJVLGEQJWQCA-UTUOFQBUSA-N 2 0 239.363 0.857 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000224048403 358231501 /nfs/dbraw/zinc/23/15/01/358231501.db2.gz NFYLOMHXYHSCDJ-NSHDSACASA-N 2 0 227.352 0.585 20 0 BCADRP O=C(NCCC[NH+]1CCCC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423305406 192693454 /nfs/dbraw/zinc/69/34/54/192693454.db2.gz BQULSBQDXBZSAO-YPMHNXCESA-N 2 0 237.347 0.341 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000040624263 358244648 /nfs/dbraw/zinc/24/46/48/358244648.db2.gz YWBUNLGKQIDGKS-RYUDHWBXSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)CO1 ZINC000401847773 491129124 /nfs/dbraw/zinc/12/91/24/491129124.db2.gz VDZCQVVTUKCUGU-MNOVXSKESA-N 2 0 216.325 0.332 20 0 BCADRP C[C@@H](CNC(=O)C[NH2+]C1CC1)[N@H+](C)C1CC1 ZINC000229094124 358345020 /nfs/dbraw/zinc/34/50/20/358345020.db2.gz OHNJAXZOEIJVJW-VIFPVBQESA-N 2 0 225.336 0.337 20 0 BCADRP CN1CCN(C)[C@@H](C[NH2+]CC2(O)CCCC2)C1 ZINC000226912893 358346677 /nfs/dbraw/zinc/34/66/77/358346677.db2.gz WDQVUHQVDIBOTQ-LBPRGKRZSA-N 2 0 241.379 0.127 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000227151950 358350491 /nfs/dbraw/zinc/35/04/91/358350491.db2.gz ZMOCDAXUAVMZRA-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP Cn1ccc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000227220658 358352248 /nfs/dbraw/zinc/35/22/48/358352248.db2.gz UIXBZIJRACGORU-PWSUYJOCSA-N 2 0 222.336 0.822 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000228610316 358381373 /nfs/dbraw/zinc/38/13/73/358381373.db2.gz HMQSQMKLXQZWDF-SRVKXCTJSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)CC[NH3+])C1 ZINC000044364684 358407948 /nfs/dbraw/zinc/40/79/48/358407948.db2.gz GRSMEWWDRRHHOC-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH+]1CCC(CNC(=O)CC[NH2+]C)CC1 ZINC000044526706 358390128 /nfs/dbraw/zinc/39/01/28/358390128.db2.gz ROIOUJFRTPYSAN-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044539018 358390859 /nfs/dbraw/zinc/39/08/59/358390859.db2.gz CDQDPOUOPUUIKD-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000044538941 358391213 /nfs/dbraw/zinc/39/12/13/358391213.db2.gz PRJIWIYCOXEFBS-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538931 358391245 /nfs/dbraw/zinc/39/12/45/358391245.db2.gz YRRBAEBKCVGKKH-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCSCCCO)C1 ZINC000230784298 358410779 /nfs/dbraw/zinc/41/07/79/358410779.db2.gz OLEXZZKNSGABOU-GHMZBOCLSA-N 2 0 232.393 0.962 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCSCCCO)C1 ZINC000230784300 358410890 /nfs/dbraw/zinc/41/08/90/358410890.db2.gz OLEXZZKNSGABOU-WDEREUQCSA-N 2 0 232.393 0.962 20 0 BCADRP CNC(=O)C(C)(C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000230385221 358398721 /nfs/dbraw/zinc/39/87/21/358398721.db2.gz RUVSKRSVOVEPFI-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000309413194 358446978 /nfs/dbraw/zinc/44/69/78/358446978.db2.gz IXLVMEVWHGQXKR-BBBLOLIVSA-N 2 0 215.341 0.603 20 0 BCADRP COC[C@@H](CCO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623427568 358437582 /nfs/dbraw/zinc/43/75/82/358437582.db2.gz DFQKODREZNSWOO-NWDGAFQWSA-N 2 0 244.379 0.846 20 0 BCADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cnccn1 ZINC000219318727 134281656 /nfs/dbraw/zinc/28/16/56/134281656.db2.gz LRTSLMQPXAHMSW-LLVKDONJSA-N 2 0 238.335 0.705 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C[NH3+])C(C)C)C1 ZINC000044805832 358554508 /nfs/dbraw/zinc/55/45/08/358554508.db2.gz VPKIBRHVOYGNAQ-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000086270938 358566074 /nfs/dbraw/zinc/56/60/74/358566074.db2.gz NKXAOXKRVZWAIE-MWLCHTKSSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCC[NH+](C)C ZINC000086271771 358572861 /nfs/dbraw/zinc/57/28/61/358572861.db2.gz YWUWLLYVKCVJLN-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP [NH3+]CC(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000212826771 358634414 /nfs/dbraw/zinc/63/44/14/358634414.db2.gz SQALWZAFZKJRDM-LBPRGKRZSA-N 2 0 239.363 0.812 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000131987922 358702512 /nfs/dbraw/zinc/70/25/12/358702512.db2.gz XJVSGEPZQJVKIU-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000130979191 358655487 /nfs/dbraw/zinc/65/54/87/358655487.db2.gz BKWOIULJLSIDFI-RYUDHWBXSA-N 2 0 241.379 0.641 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000131205923 358665772 /nfs/dbraw/zinc/66/57/72/358665772.db2.gz ZKKALDHEBSCLAA-GXSJLCMTSA-N 2 0 229.299 0.028 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H]2CCCC[NH2+]2)CCCCC1 ZINC000131517812 358680529 /nfs/dbraw/zinc/68/05/29/358680529.db2.gz WZVMSYLWBIOEJP-LLVKDONJSA-N 2 0 239.363 0.906 20 0 BCADRP C[NH2+]CC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000175896883 134288209 /nfs/dbraw/zinc/28/82/09/134288209.db2.gz PKFRYLUTHXISJT-UHFFFAOYSA-N 2 0 235.331 0.584 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000131934584 358701256 /nfs/dbraw/zinc/70/12/56/358701256.db2.gz FPKPZCBUZSLMKA-QJPTWQEYSA-N 2 0 239.363 0.620 20 0 BCADRP CCOC[C@@H](C)[NH2+]C[C@H]1CN(C)CCN1C ZINC000133451804 358755416 /nfs/dbraw/zinc/75/54/16/358755416.db2.gz MEEJOZSAYKENNF-NEPJUHHUSA-N 2 0 229.368 0.247 20 0 BCADRP CCOC[C@@H](C)[NH2+]C[C@@H]1CN(C)CCN1C ZINC000133451410 358755496 /nfs/dbraw/zinc/75/54/96/358755496.db2.gz MEEJOZSAYKENNF-VXGBXAGGSA-N 2 0 229.368 0.247 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)CC(=O)N1CCCC1 ZINC000133560121 358758477 /nfs/dbraw/zinc/75/84/77/358758477.db2.gz HCEZQEWKNUFRNS-GFCCVEGCSA-N 2 0 241.379 0.914 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132875519 358737645 /nfs/dbraw/zinc/73/76/45/358737645.db2.gz IAZHUFAFLOFHEJ-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP O=C(CCC1CC[NH2+]CC1)N1CCC[NH2+]CC1 ZINC000050942233 358739638 /nfs/dbraw/zinc/73/96/38/358739638.db2.gz SMWORHMPARJOAA-UHFFFAOYSA-N 2 0 239.363 0.588 20 0 BCADRP CC[C@@H](C)C[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298605 358821510 /nfs/dbraw/zinc/82/15/10/358821510.db2.gz IGEDLMURLLBQND-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP O=C(C[NH2+]C1CC1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000578236148 366464865 /nfs/dbraw/zinc/46/48/65/366464865.db2.gz YPJZAAWMJZAGFB-NWDGAFQWSA-N 2 0 237.347 0.243 20 0 BCADRP NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134860265 358809271 /nfs/dbraw/zinc/80/92/71/358809271.db2.gz IWKRNLBKSBHNAT-PWSUYJOCSA-N 2 0 237.347 0.420 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000564083695 358850216 /nfs/dbraw/zinc/85/02/16/358850216.db2.gz AACFZYPRNBLQSF-TXEJJXNPSA-N 2 0 239.363 0.572 20 0 BCADRP CCC[NH+]1CCC([NH2+][C@H](C)CC(N)=O)CC1 ZINC000135809855 358851852 /nfs/dbraw/zinc/85/18/52/358851852.db2.gz RCTKMCLOORACNW-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055090051 358882822 /nfs/dbraw/zinc/88/28/22/358882822.db2.gz VXBDZCQPVYFPIG-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000136808510 358887826 /nfs/dbraw/zinc/88/78/26/358887826.db2.gz ZFLCDEUJIPBFPY-MNOVXSKESA-N 2 0 237.347 0.230 20 0 BCADRP CC[C@]1(C(=O)NC[C@H]([NH3+])C2CC2)CC[NH2+]C1 ZINC000137485580 358896103 /nfs/dbraw/zinc/89/61/03/358896103.db2.gz VKQZECZJOXEMSA-JQWIXIFHSA-N 2 0 225.336 0.230 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000059931353 358921377 /nfs/dbraw/zinc/92/13/77/358921377.db2.gz XYQXBOSYACDACO-NSHDSACASA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061645175 358935971 /nfs/dbraw/zinc/93/59/71/358935971.db2.gz UJUPVMNDVGDCQY-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061645161 358936149 /nfs/dbraw/zinc/93/61/49/358936149.db2.gz KZVFOMIEACJHID-QWRGUYRKSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@@H]1C[N@@H+](CCOCC[NH3+])C[C@H](C)S1 ZINC000086435819 358976955 /nfs/dbraw/zinc/97/69/55/358976955.db2.gz XFGMRRKKCNYIJT-AOOOYVTPSA-N 2 0 218.366 0.788 20 0 BCADRP NC(=O)CC[NH2+]Cc1cnc2n1CCCC2 ZINC000578351167 366533680 /nfs/dbraw/zinc/53/36/80/366533680.db2.gz KFCPJEAHHPQWEH-UHFFFAOYSA-N 2 0 222.292 0.184 20 0 BCADRP C[C@@H]1COCCN1CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000578337742 366528389 /nfs/dbraw/zinc/52/83/89/366528389.db2.gz PSTNUMVVLQSKEA-AGIUHOORSA-N 2 0 241.379 0.567 20 0 BCADRP C[C@]1(CN[C@@H]2CCC[C@H]2[NH3+])CCC[NH2+]C1 ZINC000423346154 192722401 /nfs/dbraw/zinc/72/24/01/192722401.db2.gz PSOLDYSKEYLOOT-UTUOFQBUSA-N 2 0 211.353 0.846 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)CC1(C[NH3+])CC1 ZINC000423345709 192723147 /nfs/dbraw/zinc/72/31/47/192723147.db2.gz GDDJYOULSKCCQO-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOCCOC)[C@@H](C)C1 ZINC000247117577 359214285 /nfs/dbraw/zinc/21/42/85/359214285.db2.gz QZJFFPBONKKYDV-QWHCGFSZSA-N 2 0 244.379 0.969 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000247368320 359216754 /nfs/dbraw/zinc/21/67/54/359216754.db2.gz RNKNOBUKEQSHPR-CHWSQXEVSA-N 2 0 244.379 0.657 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000252611333 359315105 /nfs/dbraw/zinc/31/51/05/359315105.db2.gz VLEHGQDIBFRTEJ-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000572282493 359349252 /nfs/dbraw/zinc/34/92/52/359349252.db2.gz DFYJXZZLBQACSG-YIZRAAEISA-N 2 0 216.329 0.101 20 0 BCADRP [NH3+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC000423474173 192784918 /nfs/dbraw/zinc/78/49/18/192784918.db2.gz HXNXNIVJDOTXIE-NSHDSACASA-N 2 0 237.347 0.468 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H](CCC)[NH+](C)C ZINC000423473441 192785164 /nfs/dbraw/zinc/78/51/64/192785164.db2.gz YHRDTFUAIICSPL-LLVKDONJSA-N 2 0 229.368 0.833 20 0 BCADRP C[C@H](NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCCC[NH2+]1 ZINC000423494645 192794293 /nfs/dbraw/zinc/79/42/93/192794293.db2.gz SMUZLIZSLCUSPQ-AVGNSLFASA-N 2 0 241.379 0.485 20 0 BCADRP CC[C@H](NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCC[NH2+]1 ZINC000423495728 192794364 /nfs/dbraw/zinc/79/43/64/192794364.db2.gz VCOBFOZVVOEGNA-AGIUHOORSA-N 2 0 241.379 0.485 20 0 BCADRP CC[C@@H](NC[C@@H]1C[NH2+]CCN1C)[C@@H]1CCC[NH2+]1 ZINC000423498725 192795981 /nfs/dbraw/zinc/79/59/81/192795981.db2.gz BXBFWCFXCVFDBZ-XQQFMLRXSA-N 2 0 240.395 0.010 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000572406371 359490124 /nfs/dbraw/zinc/49/01/24/359490124.db2.gz QRZKJSNZGTXCHX-YFKTTZPYSA-N 2 0 239.363 0.583 20 0 BCADRP COC[C@H](C)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000379529750 359538011 /nfs/dbraw/zinc/53/80/11/359538011.db2.gz IEBMLSOLHJNPML-VWYCJHECSA-N 2 0 200.326 0.857 20 0 BCADRP CC[C@@H](CO)[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000379609506 359566080 /nfs/dbraw/zinc/56/60/80/359566080.db2.gz SHFKVNCYYWLTOG-OUAUKWLOSA-N 2 0 200.326 0.687 20 0 BCADRP CCN(C)C[C@H](O)C[N@H+](C)C1CCC1 ZINC000379611736 359566302 /nfs/dbraw/zinc/56/63/02/359566302.db2.gz UUJJIAZQESKQSA-NSHDSACASA-N 2 0 200.326 0.783 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000580429853 359546978 /nfs/dbraw/zinc/54/69/78/359546978.db2.gz FMIZGZADFBWDFZ-QJPTWQEYSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCCC[NH3+] ZINC000580442577 359551246 /nfs/dbraw/zinc/55/12/46/359551246.db2.gz HDESNAVZIHQBMH-RKDXNWHRSA-N 2 0 216.329 0.150 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[C@@H](C)[NH3+] ZINC000423567211 192814165 /nfs/dbraw/zinc/81/41/65/192814165.db2.gz ZXESGAIIMFRTGS-KKOKHZNYSA-N 2 0 241.379 0.720 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)NCCNc1ccccn1 ZINC000578353562 366535426 /nfs/dbraw/zinc/53/54/26/366535426.db2.gz LDVAJOIRRJUGKU-NSHDSACASA-N 2 0 248.330 0.752 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423970269 192851475 /nfs/dbraw/zinc/85/14/75/192851475.db2.gz FUYPFUVODRWKQA-NXEZZACHSA-N 2 0 227.352 0.557 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)NCCC[NH2+]C1CC1 ZINC000578443966 366569338 /nfs/dbraw/zinc/56/93/38/366569338.db2.gz HACOZBNQTOENJO-LLVKDONJSA-N 2 0 239.363 0.634 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000087471633 366581290 /nfs/dbraw/zinc/58/12/90/366581290.db2.gz UFOZNFPQMHUFAZ-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(=O)NC ZINC000578522770 366589114 /nfs/dbraw/zinc/58/91/14/366589114.db2.gz WQJBOHXNGXJCLS-BBBLOLIVSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000578534953 366593787 /nfs/dbraw/zinc/59/37/87/366593787.db2.gz YGLIDZXBQLIJKX-GMTAPVOTSA-N 2 0 225.336 0.385 20 0 BCADRP CC(C)(C[NH3+])C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000578639425 366615252 /nfs/dbraw/zinc/61/52/52/366615252.db2.gz OUTYCLNHHJMPMV-UWVGGRQHSA-N 2 0 227.352 0.605 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C1CC[NH2+]CC1 ZINC000087471752 366597292 /nfs/dbraw/zinc/59/72/92/366597292.db2.gz WWWTYTMBVPEPJX-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP CNC(=O)CCC[N@H+](C)CCC[NH2+]C ZINC000087472757 366600325 /nfs/dbraw/zinc/60/03/25/366600325.db2.gz KZQPUERLLZMMNF-UHFFFAOYSA-N 2 0 201.314 0.054 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1conc1C(C)(C)[NH3+] ZINC000578906485 366674268 /nfs/dbraw/zinc/67/42/68/366674268.db2.gz NAPMTNQKBQHCRK-RQJHMYQMSA-N 2 0 240.307 0.334 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000089147819 359994320 /nfs/dbraw/zinc/99/43/20/359994320.db2.gz VOUBHNFOBQZXSQ-STQMWFEESA-N 2 0 241.379 0.426 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091395781 360113795 /nfs/dbraw/zinc/11/37/95/360113795.db2.gz MUWUZCZCQIMYQK-VXGBXAGGSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@]1(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000612925836 360195929 /nfs/dbraw/zinc/19/59/29/360195929.db2.gz ZNSPSOGOZKNFNL-UMNHJUIQSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612929185 360197520 /nfs/dbraw/zinc/19/75/20/360197520.db2.gz IMXMIFXSSVSZLU-IQJOONFLSA-N 2 0 228.340 0.163 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000092134855 360154170 /nfs/dbraw/zinc/15/41/70/360154170.db2.gz GMQFHGIIXCPBJJ-LBPRGKRZSA-N 2 0 243.395 0.888 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612920323 360180933 /nfs/dbraw/zinc/18/09/33/360180933.db2.gz FOCAFEWQPPGJEO-FOGDFJRCSA-N 2 0 240.351 0.036 20 0 BCADRP C[C@]1(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000612921371 360181801 /nfs/dbraw/zinc/18/18/01/360181801.db2.gz QYNFSNBNROLQEL-SCVCMEIPSA-N 2 0 240.351 0.308 20 0 BCADRP C[C@]1(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000612921370 360181908 /nfs/dbraw/zinc/18/19/08/360181908.db2.gz QYNFSNBNROLQEL-NHCYSSNCSA-N 2 0 240.351 0.308 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612992878 360248193 /nfs/dbraw/zinc/24/81/93/360248193.db2.gz KJLWZZIHJRNJGH-NXEZZACHSA-N 2 0 240.351 0.165 20 0 BCADRP CC(C)(C[NH3+])NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612995201 360248995 /nfs/dbraw/zinc/24/89/95/360248995.db2.gz WYNOHBKIRZYCBK-VIFPVBQESA-N 2 0 240.351 0.165 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430730117 192887609 /nfs/dbraw/zinc/88/76/09/192887609.db2.gz IFTZFTJVSDVIPF-WDEREUQCSA-N 2 0 241.379 0.736 20 0 BCADRP CNC(=O)CC[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000095428221 360336754 /nfs/dbraw/zinc/33/67/54/360336754.db2.gz STZFYGUCVHXJNW-LBPRGKRZSA-N 2 0 249.314 0.671 20 0 BCADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC(C)(C)[NH3+] ZINC000094460239 360308267 /nfs/dbraw/zinc/30/82/67/360308267.db2.gz JASUVJIQZNIHFT-WDEREUQCSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000094647995 360313672 /nfs/dbraw/zinc/31/36/72/360313672.db2.gz UWODBQFHDSXIPE-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP COC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623478368 360433944 /nfs/dbraw/zinc/43/39/44/360433944.db2.gz JGZHPDWSQYRHIY-VXGBXAGGSA-N 2 0 244.379 0.846 20 0 BCADRP CCN(CC[NH3+])C(=O)NC1CC[NH+](C)CC1 ZINC000626920721 360510144 /nfs/dbraw/zinc/51/01/44/360510144.db2.gz ALJOQLISRSUZBV-UHFFFAOYSA-N 2 0 228.340 0.071 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000449326002 219834776 /nfs/dbraw/zinc/83/47/76/219834776.db2.gz RJMYASGTQBVNIK-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH+](C)CC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000628753957 360632958 /nfs/dbraw/zinc/63/29/58/360632958.db2.gz FKCSHOYUAHBNRR-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449359712 200667097 /nfs/dbraw/zinc/66/70/97/200667097.db2.gz QULGSOSHJGCOLC-VWYCJHECSA-N 2 0 227.352 0.605 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000153852344 360779365 /nfs/dbraw/zinc/77/93/65/360779365.db2.gz BUNMXHDBHUBUGT-GUBZILKMSA-N 2 0 213.325 0.051 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449749738 200701520 /nfs/dbraw/zinc/70/15/20/200701520.db2.gz GWCDWZYAJLRUTH-ZJUUUORDSA-N 2 0 227.352 0.474 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000449070640 200721220 /nfs/dbraw/zinc/72/12/20/200721220.db2.gz DMVVTDUUODQNLP-SDDRHHMPSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)(C)[NH2+]CCNC[C@@H]1CCC[NH2+]C1 ZINC000414860482 200772833 /nfs/dbraw/zinc/77/28/33/200772833.db2.gz VQLXFNNURNZCIH-LLVKDONJSA-N 2 0 213.369 0.964 20 0 BCADRP Cc1noc(C)c1C[NH2+]CCOCCC[NH3+] ZINC000629398007 361047765 /nfs/dbraw/zinc/04/77/65/361047765.db2.gz JIEJKEYWJYEUDW-UHFFFAOYSA-N 2 0 227.308 0.746 20 0 BCADRP [NH3+]CCCOCC[NH2+]C1CCSCC1 ZINC000629398753 361049209 /nfs/dbraw/zinc/04/92/09/361049209.db2.gz YANGDUCFQXEJDO-UHFFFAOYSA-N 2 0 218.366 0.837 20 0 BCADRP C[C@@H]1OCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629399162 361049376 /nfs/dbraw/zinc/04/93/76/361049376.db2.gz NDFWUKSKLZAJMI-VHSXEESVSA-N 2 0 202.298 0.119 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])CCO1 ZINC000629399614 361050736 /nfs/dbraw/zinc/05/07/36/361050736.db2.gz IQEZYRRKYDSROF-MNOVXSKESA-N 2 0 216.325 0.509 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCOCCC[NH3+])CCO1 ZINC000629399613 361050980 /nfs/dbraw/zinc/05/09/80/361050980.db2.gz IQEZYRRKYDSROF-GHMZBOCLSA-N 2 0 216.325 0.509 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCOCCC[NH3+])CCO1 ZINC000629399615 361051066 /nfs/dbraw/zinc/05/10/66/361051066.db2.gz IQEZYRRKYDSROF-QWRGUYRKSA-N 2 0 216.325 0.509 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000629400441 361051757 /nfs/dbraw/zinc/05/17/57/361051757.db2.gz XWUZGTXQESRURT-STQMWFEESA-N 3 0 241.379 0.568 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CCCSC1 ZINC000629401438 361052113 /nfs/dbraw/zinc/05/21/13/361052113.db2.gz AQPBMRCDZDVKRX-JTQLQIEISA-N 2 0 218.366 0.708 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000629406838 361053836 /nfs/dbraw/zinc/05/38/36/361053836.db2.gz ZFMRXPWNYBLKAS-RYUDHWBXSA-N 3 0 241.379 0.437 20 0 BCADRP C(C1CC1)[NH+]1CCC(N[C@@H]2CC[NH2+]C2)CC1 ZINC000629409229 361057756 /nfs/dbraw/zinc/05/77/56/361057756.db2.gz DSTIDESOIYUYLY-CYBMUJFWSA-N 2 0 223.364 0.812 20 0 BCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424149860 200868938 /nfs/dbraw/zinc/86/89/38/200868938.db2.gz XROFWCITHIPHJQ-UTUOFQBUSA-N 2 0 239.363 0.428 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000424156694 200871232 /nfs/dbraw/zinc/87/12/32/200871232.db2.gz PVSMGBIHIORXJL-TUAOUCFPSA-N 2 0 237.347 0.324 20 0 BCADRP CO[C@H](C)[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629521072 361117903 /nfs/dbraw/zinc/11/79/03/361117903.db2.gz KZLILTQILAWTFV-NXEZZACHSA-N 2 0 216.325 0.507 20 0 BCADRP CC[C@H](NCC1([NH3+])CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000629521434 361118240 /nfs/dbraw/zinc/11/82/40/361118240.db2.gz QCZYOQIZCFXWAJ-RYUDHWBXSA-N 2 0 241.379 0.615 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NCC1([NH3+])CCOCC1 ZINC000629518882 361118789 /nfs/dbraw/zinc/11/87/89/361118789.db2.gz CHKJVYFHORXAQR-RYUDHWBXSA-N 2 0 241.379 0.601 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1CCOC1CCOCC1 ZINC000629507718 361102070 /nfs/dbraw/zinc/10/20/70/361102070.db2.gz IBGVPXXAXMNAFW-LBPRGKRZSA-N 2 0 242.363 0.995 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1NCC1([NH3+])CCOCC1 ZINC000629519626 361120077 /nfs/dbraw/zinc/12/00/77/361120077.db2.gz BXUDCDYUNCZCMY-QWRGUYRKSA-N 2 0 227.352 0.034 20 0 BCADRP CCO[C@H](CN1CCO[C@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000629512674 361107848 /nfs/dbraw/zinc/10/78/48/361107848.db2.gz BPJNTWOAZSCDIQ-WCFLWFBJSA-N 2 0 242.363 0.850 20 0 BCADRP C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)C1C[NH2+]C1 ZINC000629519832 361120332 /nfs/dbraw/zinc/12/03/32/361120332.db2.gz RQABBCHHOAHBGQ-GXSJLCMTSA-N 2 0 247.333 0.913 20 0 BCADRP CC1([NH3+])CC[NH+](CCOC2CCOCC2)CC1 ZINC000629527553 361130555 /nfs/dbraw/zinc/13/05/55/361130555.db2.gz YMCCQJUAMTWHBE-UHFFFAOYSA-N 2 0 242.363 0.995 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[NH2+]CC[C@@H]1C ZINC000629527924 361134905 /nfs/dbraw/zinc/13/49/05/361134905.db2.gz JNKBGCZGZOKXHJ-YFKTTZPYSA-N 2 0 211.353 0.715 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629528473 361136174 /nfs/dbraw/zinc/13/61/74/361136174.db2.gz ZUPIZULFJAYDBT-GJHMDTBVSA-N 2 0 223.364 1.000 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)C1CCOCC1 ZINC000629529128 361138629 /nfs/dbraw/zinc/13/86/29/361138629.db2.gz SFZCVPAFVUHQIB-NSHDSACASA-N 2 0 230.352 0.627 20 0 BCADRP CC[C@H]([NH2+]CCOCC[NH2+]C)[C@H]1CCOC1 ZINC000629529241 361138792 /nfs/dbraw/zinc/13/87/92/361138792.db2.gz WIGGKIMPDAWPLF-RYUDHWBXSA-N 2 0 230.352 0.627 20 0 BCADRP CC(C)(C)CNC(=O)CN1CC[C@](C)(C[NH3+])C1 ZINC000629530424 361144625 /nfs/dbraw/zinc/14/46/25/361144625.db2.gz GRCJFLZMVISKOF-CYBMUJFWSA-N 2 0 241.379 0.819 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)c1nccnc1C ZINC000629530651 361145660 /nfs/dbraw/zinc/14/56/60/361145660.db2.gz MTBPUKCBFFHWHD-LLVKDONJSA-N 2 0 238.335 0.672 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000629530770 361145720 /nfs/dbraw/zinc/14/57/20/361145720.db2.gz QMSYRTZZYDGUGB-OUAUKWLOSA-N 2 0 200.326 0.857 20 0 BCADRP [NH3+]C1(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000335420773 181324425 /nfs/dbraw/zinc/32/44/25/181324425.db2.gz AEZXIDUXOXBUJV-GFCCVEGCSA-N 2 0 237.347 0.470 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000629531363 361148624 /nfs/dbraw/zinc/14/86/24/361148624.db2.gz IIZSIOVCFMAWIK-RYUDHWBXSA-N 3 0 229.368 0.472 20 0 BCADRP [NH3+]C1(C(=O)N2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC000368825597 181324616 /nfs/dbraw/zinc/32/46/16/181324616.db2.gz OKDLTWJKYWYVPD-UHFFFAOYSA-N 2 0 237.347 0.470 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1COCCN1C ZINC000629532826 361156014 /nfs/dbraw/zinc/15/60/14/361156014.db2.gz VGVZTNUWQUANRL-HBNTYKKESA-N 2 0 215.341 0.032 20 0 BCADRP C[C@H](NCC1([NH3+])CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000629521774 361121369 /nfs/dbraw/zinc/12/13/69/361121369.db2.gz UFNIGUUBPMTMSN-QWRGUYRKSA-N 2 0 227.352 0.224 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000629524214 361122909 /nfs/dbraw/zinc/12/29/09/361122909.db2.gz NVSWEPLSVASOCC-RMPHRYRLSA-N 2 0 237.347 0.228 20 0 BCADRP [NH3+][C@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC000424483468 200929646 /nfs/dbraw/zinc/92/96/46/200929646.db2.gz XVIVVQUXVVPZCX-GMTAPVOTSA-N 2 0 240.351 0.293 20 0 BCADRP C[C@@H](O)CC[N@H+](C)CC1CC[NH2+]CC1 ZINC000158589053 361204854 /nfs/dbraw/zinc/20/48/54/361204854.db2.gz ZZOACBUQTAJTEL-SNVBAGLBSA-N 2 0 200.326 0.689 20 0 BCADRP C[C@H](O)CC[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000158589213 361205413 /nfs/dbraw/zinc/20/54/13/361205413.db2.gz NFEATJYFRUDVGC-WDEREUQCSA-N 2 0 200.326 0.689 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000640383102 361192109 /nfs/dbraw/zinc/19/21/09/361192109.db2.gz NZRWJUOYXRVSAN-MXWKQRLJSA-N 2 0 240.351 0.260 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000579142420 366724982 /nfs/dbraw/zinc/72/49/82/366724982.db2.gz NSXFAUSLADOSAG-VHSXEESVSA-N 2 0 213.325 0.099 20 0 BCADRP COC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000579103825 366710034 /nfs/dbraw/zinc/71/00/34/366710034.db2.gz UXUHOSPDLBXANO-CHWSQXEVSA-N 2 0 244.379 0.704 20 0 BCADRP CNCc1noc(C2([NH3+])CCCCC2)n1 ZINC000579121981 366716183 /nfs/dbraw/zinc/71/61/83/366716183.db2.gz REVAXGWFBRBQJP-UHFFFAOYSA-N 2 0 210.281 0.907 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000428439905 201017138 /nfs/dbraw/zinc/01/71/38/201017138.db2.gz NAPBNRDVJIQSPD-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]C)C1)[NH+](CC)CC ZINC000428448342 201018758 /nfs/dbraw/zinc/01/87/58/201018758.db2.gz POWHPISUJQYZGR-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC000067571729 370685916 /nfs/dbraw/zinc/68/59/16/370685916.db2.gz OOEJXRPWCKMDTM-LBPRGKRZSA-N 2 0 241.379 0.927 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000622044523 370673073 /nfs/dbraw/zinc/67/30/73/370673073.db2.gz JBYMQHCDJQWYRT-IJLUTSLNSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000622044475 370677496 /nfs/dbraw/zinc/67/74/96/370677496.db2.gz HMXXYZBBUNHFIW-NNYUYHANSA-N 3 0 211.353 0.701 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000622044959 370678396 /nfs/dbraw/zinc/67/83/96/370678396.db2.gz YRXGSOKUPQFCPQ-FRRDWIJNSA-N 2 0 239.363 0.857 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000428728240 201037504 /nfs/dbraw/zinc/03/75/04/201037504.db2.gz KDMDZHYVYMECPY-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000429165253 201070384 /nfs/dbraw/zinc/07/03/84/201070384.db2.gz SHUKRAMJXDYTKW-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000429165254 201070816 /nfs/dbraw/zinc/07/08/16/201070816.db2.gz SHUKRAMJXDYTKW-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428950102 201052686 /nfs/dbraw/zinc/05/26/86/201052686.db2.gz DDVVLYLHULQPSB-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000429101014 201065825 /nfs/dbraw/zinc/06/58/25/201065825.db2.gz VWPIFNYVKCPJIQ-IJLUTSLNSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]CC1=CCCOC1 ZINC000379739501 361386893 /nfs/dbraw/zinc/38/68/93/361386893.db2.gz ZNQBGXOPSDHICA-CMPLNLGQSA-N 2 0 210.321 0.921 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000429167624 201077589 /nfs/dbraw/zinc/07/75/89/201077589.db2.gz YQRPDQRAKPQQSN-GRYCIOLGSA-N 2 0 241.379 0.959 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000429192629 201079184 /nfs/dbraw/zinc/07/91/84/201079184.db2.gz IBWBPUWLGIMZQP-WDEREUQCSA-N 2 0 239.363 0.749 20 0 BCADRP C[NH+](C)CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000036757330 361395799 /nfs/dbraw/zinc/39/57/99/361395799.db2.gz BIKWNCBACOELBH-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629540266 361398582 /nfs/dbraw/zinc/39/85/82/361398582.db2.gz OGMGCGJSBFGVKY-QNWJLWSRSA-N 2 0 241.379 0.469 20 0 BCADRP C[C@@H](NCCOCCC[NH3+])[C@@H]1CCCC[NH2+]1 ZINC000629536256 361398712 /nfs/dbraw/zinc/39/87/12/361398712.db2.gz FTYLBYBJFSKZPF-NEPJUHHUSA-N 2 0 229.368 0.472 20 0 BCADRP CCO[C@@H](C[N@H+](C)C[C@H](O)C[NH3+])C1CC1 ZINC000629537317 361401129 /nfs/dbraw/zinc/40/11/29/361401129.db2.gz ORBOFOIFAYACIW-MNOVXSKESA-N 2 0 216.325 0.053 20 0 BCADRP CCO[C@H](C[N@H+](C)C[C@@H](O)C[NH3+])C1CC1 ZINC000629537319 361401256 /nfs/dbraw/zinc/40/12/56/361401256.db2.gz ORBOFOIFAYACIW-WDEREUQCSA-N 2 0 216.325 0.053 20 0 BCADRP C[C@@H](NCCOCCC[NH3+])[C@H]1CCC[NH2+]1 ZINC000629537472 361401292 /nfs/dbraw/zinc/40/12/92/361401292.db2.gz JMNVULKAWTYSAS-GHMZBOCLSA-N 2 0 215.341 0.082 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H](C[NH3+])CC(C)C ZINC000429313932 201098344 /nfs/dbraw/zinc/09/83/44/201098344.db2.gz GYEMARYCCQKBSY-NSHDSACASA-N 2 0 229.368 0.818 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000429335026 201100519 /nfs/dbraw/zinc/10/05/19/201100519.db2.gz NTZVMZSLBVTCPC-IJLUTSLNSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000429343741 201101652 /nfs/dbraw/zinc/10/16/52/201101652.db2.gz IPLHOSIFKWIYBO-KOLCDFICSA-N 2 0 227.352 0.748 20 0 BCADRP COC[C@H](CCC[NH3+])N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000629538817 361403428 /nfs/dbraw/zinc/40/34/28/361403428.db2.gz LHRASNYROWZWAK-SRVKXCTJSA-N 2 0 229.368 0.470 20 0 BCADRP COC[C@H](CCC[NH3+])N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629538825 361403931 /nfs/dbraw/zinc/40/39/31/361403931.db2.gz LHRASNYROWZWAK-TUAOUCFPSA-N 2 0 229.368 0.470 20 0 BCADRP CO[C@@H](C)[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629535602 361410409 /nfs/dbraw/zinc/41/04/09/361410409.db2.gz DVFUGTWILKADHD-UWVGGRQHSA-N 2 0 204.314 0.365 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429562204 201115294 /nfs/dbraw/zinc/11/52/94/201115294.db2.gz YYFUTSVBQLYJQY-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000429590991 201121878 /nfs/dbraw/zinc/12/18/78/201121878.db2.gz PTUZGKUQZYZQDW-NSHDSACASA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1CC[C@H](N[C@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC000629540362 361413755 /nfs/dbraw/zinc/41/37/55/361413755.db2.gz OXIHBIAWTNRNRO-WOPDTQHZSA-N 2 0 211.353 0.859 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C[N@H+](C)CCC ZINC000429623943 201123917 /nfs/dbraw/zinc/12/39/17/201123917.db2.gz KTLBFAHAHXOQSM-LLVKDONJSA-N 2 0 229.368 0.962 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1COCCN1 ZINC000629534843 361408241 /nfs/dbraw/zinc/40/82/41/361408241.db2.gz BJQKJPGKEMRASY-WDEREUQCSA-N 2 0 215.341 0.082 20 0 BCADRP [NH3+]CCCOCC[NH2+]C1CCC([NH3+])CC1 ZINC000629535108 361409006 /nfs/dbraw/zinc/40/90/06/361409006.db2.gz BIDZUABSNPJOIQ-UHFFFAOYSA-N 3 0 215.341 0.211 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000629544569 361423024 /nfs/dbraw/zinc/42/30/24/361423024.db2.gz IMOSBAYEKIYSDS-NNYUYHANSA-N 2 0 211.353 0.986 20 0 BCADRP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1CC[NH2+][C@H]1C ZINC000629544307 361423091 /nfs/dbraw/zinc/42/30/91/361423091.db2.gz HNRDWOKEFXZMLG-WRWGMCAJSA-N 2 0 227.352 0.093 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)CC[NH2+]1 ZINC000579475694 366824249 /nfs/dbraw/zinc/82/42/49/366824249.db2.gz GKPLALQYHAEVBD-KXUCPTDWSA-N 2 0 227.352 0.617 20 0 BCADRP CN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000629548249 361433297 /nfs/dbraw/zinc/43/32/97/361433297.db2.gz DQVCAQJQDKLCRB-SDDRHHMPSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOC1CCOCC1 ZINC000629549994 361442886 /nfs/dbraw/zinc/44/28/86/361442886.db2.gz UYKASSIZICPIDO-RYUDHWBXSA-N 2 0 242.363 0.994 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000629555558 361447618 /nfs/dbraw/zinc/44/76/18/361447618.db2.gz XALLFMOGKJNMIH-SDDRHHMPSA-N 2 0 230.352 0.755 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]CCN1CC[C@H](O)C1 ZINC000629556645 361450023 /nfs/dbraw/zinc/45/00/23/361450023.db2.gz WIVQZHKLCIVBEH-NEPJUHHUSA-N 2 0 229.368 0.160 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CCOCCC[NH3+])[C@H](C)C1 ZINC000629541602 361416595 /nfs/dbraw/zinc/41/65/95/361416595.db2.gz RVJVSKZFMJTSRG-OLZOCXBDSA-N 3 0 243.395 0.672 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCOC1 ZINC000629572073 361463795 /nfs/dbraw/zinc/46/37/95/361463795.db2.gz VTPHLGMGEHBEOG-LLVKDONJSA-N 2 0 216.325 0.191 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)CCOC ZINC000629572140 361463856 /nfs/dbraw/zinc/46/38/56/361463856.db2.gz WXVPATDHXPNLSA-LLVKDONJSA-N 2 0 218.341 0.579 20 0 BCADRP O[C@@H](C[NH2+][C@@H]1CC[C@@H](O)CC1)C[NH+]1CCCC1 ZINC000629579253 361464321 /nfs/dbraw/zinc/46/43/21/361464321.db2.gz CPLSNPFUYAEFSL-AVGNSLFASA-N 2 0 242.363 0.336 20 0 BCADRP C[N@H+](CCOCC[NH3+])Cc1cccc(N)c1 ZINC000629577189 361468014 /nfs/dbraw/zinc/46/80/14/361468014.db2.gz FQGQMPCUGJMSHG-UHFFFAOYSA-N 2 0 223.320 0.676 20 0 BCADRP CN(CCOCC[NH3+])Cc1cc(C2CC2)no1 ZINC000629580699 361468808 /nfs/dbraw/zinc/46/88/08/361468808.db2.gz DREDVFKYTUDKJC-UHFFFAOYSA-N 2 0 239.319 0.959 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](CCN2CCCC2=O)CC1 ZINC000430947333 201159202 /nfs/dbraw/zinc/15/92/02/201159202.db2.gz DGGMOXNKJWBLFI-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP C[NH2+]CCCN1CCO[C@@H](CCF)C1 ZINC000629580983 361470500 /nfs/dbraw/zinc/47/05/00/361470500.db2.gz IOPUGFDZEGDKTO-JTQLQIEISA-N 2 0 204.289 0.656 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CCO[C@@H](CCF)C1 ZINC000629580954 361470645 /nfs/dbraw/zinc/47/06/45/361470645.db2.gz HFGSGMIFBPKPPB-QWRGUYRKSA-N 2 0 234.315 0.017 20 0 BCADRP Cc1cc(C[N@H+](C)CCOCC[NH3+])ccn1 ZINC000629581336 361471496 /nfs/dbraw/zinc/47/14/96/361471496.db2.gz WNFMCLMTYTYZRO-UHFFFAOYSA-N 2 0 223.320 0.797 20 0 BCADRP [NH3+]CCCN1CCC[C@@H](C[NH3+])[C@H]1C(F)(F)F ZINC000629582129 361472547 /nfs/dbraw/zinc/47/25/47/361472547.db2.gz OMNXUPVANMFXHC-IUCAKERBSA-N 2 0 239.285 0.937 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@H]1CC[NH2+]C1)C2 ZINC000629584723 361473858 /nfs/dbraw/zinc/47/38/58/361473858.db2.gz WWBYISOMYBSVHS-RWMBFGLXSA-N 2 0 223.364 0.527 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000433172209 201162712 /nfs/dbraw/zinc/16/27/12/201162712.db2.gz GTSDKJXEHZUTIA-RYUDHWBXSA-N 2 0 241.379 0.723 20 0 BCADRP CCCN(C(=O)[C@H](C[NH3+])C(C)C)[C@H]1CC[NH2+]C1 ZINC000433173077 201163531 /nfs/dbraw/zinc/16/35/31/201163531.db2.gz IYLQQRGDLIHINV-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP CCCN(C(=O)[C@@H](C[NH3+])C(C)C)[C@H]1CC[NH2+]C1 ZINC000433173079 201164214 /nfs/dbraw/zinc/16/42/14/201164214.db2.gz IYLQQRGDLIHINV-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000629595545 361482027 /nfs/dbraw/zinc/48/20/27/361482027.db2.gz SACJWTSROJTROL-QWHCGFSZSA-N 2 0 239.363 0.587 20 0 BCADRP CN1CC[C@H]([N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1=O ZINC000629594097 361485148 /nfs/dbraw/zinc/48/51/48/361485148.db2.gz KZIFRBXBDOVDAY-WCFLWFBJSA-N 2 0 237.347 0.149 20 0 BCADRP CC[C@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+](C)C ZINC000629612549 361498935 /nfs/dbraw/zinc/49/89/35/361498935.db2.gz DLVMBEFWBFIEEG-OUAUKWLOSA-N 2 0 225.336 0.004 20 0 BCADRP CC[C@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000629612498 361499402 /nfs/dbraw/zinc/49/94/02/361499402.db2.gz DLPULAFFFLUOKT-NXEZZACHSA-N 2 0 213.325 0.147 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000629612820 361499450 /nfs/dbraw/zinc/49/94/50/361499450.db2.gz IJWMXDOBISQJJF-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000629610419 361500301 /nfs/dbraw/zinc/50/03/01/361500301.db2.gz CPBFLSMJDXCROP-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC000629610485 361500716 /nfs/dbraw/zinc/50/07/16/361500716.db2.gz DSCNYTZQSJGUEH-SNVBAGLBSA-N 2 0 215.341 0.442 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C)C1)[NH+](C)C ZINC000629611345 361501170 /nfs/dbraw/zinc/50/11/70/361501170.db2.gz RNTADYXDHKQGGW-ZJUUUORDSA-N 2 0 213.325 0.147 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]C)C1)[NH+](C)C ZINC000629611342 361501185 /nfs/dbraw/zinc/50/11/85/361501185.db2.gz RNTADYXDHKQGGW-NXEZZACHSA-N 2 0 213.325 0.147 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H](CC)[NH+](C)C ZINC000629611720 361501443 /nfs/dbraw/zinc/50/14/43/361501443.db2.gz BZDBHOOKCYHYNU-QWRGUYRKSA-N 2 0 229.368 0.960 20 0 BCADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[NH+](C)C ZINC000629614917 361503360 /nfs/dbraw/zinc/50/33/60/361503360.db2.gz KGVQPTGAXRWPMV-NTZNESFSSA-N 2 0 241.379 0.770 20 0 BCADRP CC[C@H](C(=O)NC[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000629614990 361503859 /nfs/dbraw/zinc/50/38/59/361503859.db2.gz RDBYUVBZJQMECD-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[NH+](C)C ZINC000629613063 361506297 /nfs/dbraw/zinc/50/62/97/361506297.db2.gz KWSOZAQIWRVJPX-HBNTYKKESA-N 2 0 227.352 0.441 20 0 BCADRP CC[C@H](C(=O)NCC[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000629614417 361509603 /nfs/dbraw/zinc/50/96/03/361509603.db2.gz JJRKGZHMQZBJDG-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@@H](C(=O)NCCC[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000629614359 361509774 /nfs/dbraw/zinc/50/97/74/361509774.db2.gz HDDRQZYAROFELA-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCSC1 ZINC000629654971 361559310 /nfs/dbraw/zinc/55/93/10/361559310.db2.gz VAJOOIQWPSUZRE-LLVKDONJSA-N 2 0 232.393 0.907 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@H](C)COC ZINC000629655555 361560319 /nfs/dbraw/zinc/56/03/19/361560319.db2.gz ZMTPHFWYHPIYKT-GARJFASQSA-N 2 0 200.326 0.999 20 0 BCADRP COCCNCC[NH2+]CC1(OC)CCCC1 ZINC000629647904 361539124 /nfs/dbraw/zinc/53/91/24/361539124.db2.gz JOOOCOPTDPGLIF-UHFFFAOYSA-N 2 0 230.352 0.771 20 0 BCADRP C[C@@H]1CC[C@@H](N[C@H]2C[NH2+]C[C@@H](C)C2)C[NH2+]1 ZINC000629660157 361564707 /nfs/dbraw/zinc/56/47/07/361564707.db2.gz OVTLBBVWOMUGEI-IRCOFANPSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]1CC[C@H](NC[C@@]2(C)CC[NH2+]C2)C[NH2+]1 ZINC000629659743 361564813 /nfs/dbraw/zinc/56/48/13/361564813.db2.gz GAJHHDYZNKVVMM-WOPDTQHZSA-N 2 0 211.353 0.716 20 0 BCADRP CCOC1CC(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000309956858 491158855 /nfs/dbraw/zinc/15/88/55/491158855.db2.gz IREBULJTTNPAII-ZFQMDJOTSA-N 2 0 224.348 0.953 20 0 BCADRP C[C@@H]1CC[C@H](NC[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000629660298 361566381 /nfs/dbraw/zinc/56/63/81/361566381.db2.gz REZSLBREMGAETR-WOPDTQHZSA-N 2 0 211.353 0.716 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070578142 361570467 /nfs/dbraw/zinc/57/04/67/361570467.db2.gz PZZONAWMASKUIG-QTAHKJALSA-N 2 0 239.363 0.890 20 0 BCADRP COCC(C)(C)C[NH2+]CC1([NH3+])CCOCC1 ZINC000629653462 361552974 /nfs/dbraw/zinc/55/29/74/361552974.db2.gz HXNFOGWAFJBTEW-UHFFFAOYSA-N 2 0 230.352 0.757 20 0 BCADRP C[C@H]1C[C@@H]1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629653487 361553115 /nfs/dbraw/zinc/55/31/15/361553115.db2.gz OQCHBYVYXQGLPW-JGVFFNPUSA-N 2 0 222.292 0.387 20 0 BCADRP CC1(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CCC1 ZINC000629654218 361554111 /nfs/dbraw/zinc/55/41/11/361554111.db2.gz XBINOAGBOICBBU-UHFFFAOYSA-N 2 0 236.319 0.921 20 0 BCADRP Cn1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000629651218 361555901 /nfs/dbraw/zinc/55/59/01/361555901.db2.gz CNTKDGYTFDPRDQ-UHFFFAOYSA-N 2 0 236.363 0.362 20 0 BCADRP Cc1n[nH]c(C)c1C[N@H+](C)CCOCC[NH3+] ZINC000629663130 361595516 /nfs/dbraw/zinc/59/55/16/361595516.db2.gz JUYFMJDAJPBRAP-UHFFFAOYSA-N 2 0 226.324 0.434 20 0 BCADRP CC(C)C[C@H]([NH3+])CN(C)CCOCC[NH3+] ZINC000629664029 361595650 /nfs/dbraw/zinc/59/56/50/361595650.db2.gz JDVUHJNVIZBVRT-NSHDSACASA-N 2 0 217.357 0.267 20 0 BCADRP [NH3+]CCCOCC[NH2+]CC1=CCCOC1 ZINC000629682268 361603131 /nfs/dbraw/zinc/60/31/31/361603131.db2.gz ZYFUKXSSIBRTPT-UHFFFAOYSA-N 2 0 214.309 0.288 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000629672227 361614682 /nfs/dbraw/zinc/61/46/82/361614682.db2.gz OQNZSFJGBMZTPL-NNYUYHANSA-N 3 0 211.353 0.715 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000434672553 201232395 /nfs/dbraw/zinc/23/23/95/201232395.db2.gz BKUSVOBLLQKYBO-MWLCHTKSSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000434672718 201232643 /nfs/dbraw/zinc/23/26/43/201232643.db2.gz BWQBIVUGFKCKMZ-GARJFASQSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC1([NH3+])CCCCC1 ZINC000434680056 201233264 /nfs/dbraw/zinc/23/32/64/201233264.db2.gz SJPSXULKEBIHAP-SNVBAGLBSA-N 2 0 227.352 0.892 20 0 BCADRP C[NH+]1CCC(C(=O)NC2(C)CC[NH2+]CC2)CC1 ZINC000434694836 201234148 /nfs/dbraw/zinc/23/41/48/201234148.db2.gz WLEKMNCFZSUMMC-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000434682312 201235002 /nfs/dbraw/zinc/23/50/02/201235002.db2.gz VUJQZIQAQDETFM-ZYHUDNBSSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](C)[NH2+]1 ZINC000153425400 201235463 /nfs/dbraw/zinc/23/54/63/201235463.db2.gz BLYLQVYACMVYPH-DBIOUOCHSA-N 2 0 225.336 0.323 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[NH+](C)C ZINC000153438574 201236674 /nfs/dbraw/zinc/23/66/74/201236674.db2.gz JJCJUQJASPOGIR-GRYCIOLGSA-N 2 0 241.379 0.781 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000435086680 201250276 /nfs/dbraw/zinc/25/02/76/201250276.db2.gz DAEGJXZGXVQMGT-LOWVWBTDSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000195158015 361639428 /nfs/dbraw/zinc/63/94/28/361639428.db2.gz GKTJZADZFFNCFZ-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000154588270 201284208 /nfs/dbraw/zinc/28/42/08/201284208.db2.gz JMJYSXAICQQBOT-WDEREUQCSA-N 2 0 229.368 0.544 20 0 BCADRP CCCC[C@H](COC)[NH2+]C[C@@H](O)CN(C)C ZINC000154329931 201274627 /nfs/dbraw/zinc/27/46/27/201274627.db2.gz RCHXPAOHYUAZHN-VXGBXAGGSA-N 2 0 232.368 0.704 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000435902988 201296906 /nfs/dbraw/zinc/29/69/06/201296906.db2.gz PBKRYJASKHHNIM-NQBHXWOUSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435905477 201297902 /nfs/dbraw/zinc/29/79/02/201297902.db2.gz BAEOSCBNEHGGDK-DMDPSCGWSA-N 2 0 239.363 0.348 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436295448 201318718 /nfs/dbraw/zinc/31/87/18/201318718.db2.gz HCZHVIZGYHQHQG-HOSYDEDBSA-N 2 0 225.336 0.230 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000155695545 201345335 /nfs/dbraw/zinc/34/53/35/201345335.db2.gz PVXFZGHFFQRGIC-SCVCMEIPSA-N 2 0 241.379 0.959 20 0 BCADRP [NH3+]CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000237949794 181349650 /nfs/dbraw/zinc/34/96/50/181349650.db2.gz JKCWTONBHJBJTH-NSHDSACASA-N 2 0 225.336 0.422 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627244663 363848405 /nfs/dbraw/zinc/84/84/05/363848405.db2.gz FRZDZPBNJIXDBF-UKKRHICBSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(C[NH3+])CC1 ZINC000627245653 363849247 /nfs/dbraw/zinc/84/92/47/363849247.db2.gz RFPIEPOVSKKFCL-GXSJLCMTSA-N 2 0 240.351 0.117 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627246166 363850248 /nfs/dbraw/zinc/85/02/48/363850248.db2.gz XUZBJLNXVCQSGS-GARJFASQSA-N 2 0 240.351 0.130 20 0 BCADRP CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC[C@H]1[NH3+] ZINC000627251796 363877080 /nfs/dbraw/zinc/87/70/80/363877080.db2.gz ALNOITGUUVWRAN-GMTAPVOTSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627251876 363877210 /nfs/dbraw/zinc/87/72/10/363877210.db2.gz DEVQCEBJERKYHJ-HBNTYKKESA-N 2 0 240.351 0.117 20 0 BCADRP [NH3+]CCC1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627252670 363879633 /nfs/dbraw/zinc/87/96/33/363879633.db2.gz CFRNUCCHJWDFMR-LLVKDONJSA-N 2 0 240.351 0.119 20 0 BCADRP COCCN1CC[C@H]([NH2+][C@H](C)CN(C)C)C1 ZINC000328269760 363871533 /nfs/dbraw/zinc/87/15/33/363871533.db2.gz PDQONFFRGGCOKF-NEPJUHHUSA-N 2 0 229.368 0.247 20 0 BCADRP CC(C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000037396003 363969915 /nfs/dbraw/zinc/96/99/15/363969915.db2.gz UUMYTDPPMFHYAX-UHFFFAOYSA-N 2 0 239.363 0.727 20 0 BCADRP C[N@@H+]1CCCC[C@@H](CNC2=[NH+]CCCN2)C1 ZINC000630387364 364102239 /nfs/dbraw/zinc/10/22/39/364102239.db2.gz NLKQAVHSUFRKAP-NSHDSACASA-N 2 0 224.352 0.657 20 0 BCADRP CC[NH2+]Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630604243 364328577 /nfs/dbraw/zinc/32/85/77/364328577.db2.gz PRJSVXJBTTYBIG-VIFPVBQESA-N 2 0 209.297 0.140 20 0 BCADRP c1c(C[NH2+]C2CC2)nnn1C[C@H]1CCC[NH2+]1 ZINC000630604499 364328698 /nfs/dbraw/zinc/32/86/98/364328698.db2.gz SMONPNFJJKYYTG-SNVBAGLBSA-N 2 0 221.308 0.282 20 0 BCADRP CCC[C@@H]([NH3+])c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630606480 364329802 /nfs/dbraw/zinc/32/98/02/364329802.db2.gz YNFLEBCLTKIDEF-VHSXEESVSA-N 2 0 223.324 0.830 20 0 BCADRP CCC[C@H]([NH3+])c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630606479 364330016 /nfs/dbraw/zinc/33/00/16/364330016.db2.gz YNFLEBCLTKIDEF-UWVGGRQHSA-N 2 0 223.324 0.830 20 0 BCADRP c1c(C[C@H]2CC[NH2+]C2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000630605758 364336136 /nfs/dbraw/zinc/33/61/36/364336136.db2.gz OWFRIFUJXNOMSR-MNOVXSKESA-N 2 0 235.335 0.182 20 0 BCADRP C[NH+](C)CCCn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000630585193 364292622 /nfs/dbraw/zinc/29/26/22/364292622.db2.gz JVJCYFQZNYBMDE-LLVKDONJSA-N 2 0 237.351 0.382 20 0 BCADRP C[C@H]1CC[C@@H](NC2CC[NH+](C)CC2)C[NH2+]1 ZINC000398975521 364401480 /nfs/dbraw/zinc/40/14/80/364401480.db2.gz YRAYLTOECQEJFM-CMPLNLGQSA-N 2 0 211.353 0.811 20 0 BCADRP [NH3+]CCC(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000365097302 181366202 /nfs/dbraw/zinc/36/62/02/181366202.db2.gz YPBLHMZOPNDWEP-GXSJLCMTSA-N 2 0 211.309 0.065 20 0 BCADRP [NH3+]CCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370773971 181366568 /nfs/dbraw/zinc/36/65/68/181366568.db2.gz QBSVPYRWUXJCSE-SRVKXCTJSA-N 2 0 237.347 0.278 20 0 BCADRP [NH3+]CC1CC[NH+](CC(=O)NCC2CC2)CC1 ZINC000019843240 181365309 /nfs/dbraw/zinc/36/53/09/181365309.db2.gz SKGAXACTMZQFSJ-UHFFFAOYSA-N 2 0 225.336 0.183 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000366635983 181367050 /nfs/dbraw/zinc/36/70/50/181367050.db2.gz YSXZDXMJLNGISB-QWRGUYRKSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000615303211 364680851 /nfs/dbraw/zinc/68/08/51/364680851.db2.gz QVURRSMFHFYMSP-WOPDTQHZSA-N 2 0 239.363 0.489 20 0 BCADRP O=C(C1C[NH2+]C1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000573323512 364799542 /nfs/dbraw/zinc/79/95/42/364799542.db2.gz LMDIDQKPVRPNLU-VXGBXAGGSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000573325821 364800943 /nfs/dbraw/zinc/80/09/43/364800943.db2.gz SZYVWNYPVLHXAI-KXUCPTDWSA-N 2 0 227.352 0.603 20 0 BCADRP CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000573437174 364829987 /nfs/dbraw/zinc/82/99/87/364829987.db2.gz UEPVGEGAJYEBDH-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000573437395 364832252 /nfs/dbraw/zinc/83/22/52/364832252.db2.gz IZPTVFYBPMAXAW-QJPTWQEYSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000573441976 364834377 /nfs/dbraw/zinc/83/43/77/364834377.db2.gz QPWHTGBBKNVUBB-MNOVXSKESA-N 2 0 227.352 0.476 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000573487231 364845693 /nfs/dbraw/zinc/84/56/93/364845693.db2.gz BNMDTEZGNLUQRJ-NEPJUHHUSA-N 2 0 239.363 0.714 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000573608658 364873809 /nfs/dbraw/zinc/87/38/09/364873809.db2.gz ALOQFFWDCSWMLG-CYBMUJFWSA-N 2 0 239.363 0.540 20 0 BCADRP [NH3+]CCCC(=O)NCC[NH+]1CCCCC1 ZINC000049575492 181372160 /nfs/dbraw/zinc/37/21/60/181372160.db2.gz IBNNFLBOPHPJMK-UHFFFAOYSA-N 2 0 213.325 0.327 20 0 BCADRP [NH3+]CCCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726747 181372506 /nfs/dbraw/zinc/37/25/06/181372506.db2.gz SUOAUHSTMZGWGL-VIFPVBQESA-N 2 0 211.309 0.078 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000553158363 325678732 /nfs/dbraw/zinc/67/87/32/325678732.db2.gz VOOHOUNJPOILOS-VXGBXAGGSA-N 2 0 241.379 0.783 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000573799869 364917899 /nfs/dbraw/zinc/91/78/99/364917899.db2.gz HACWAYOPIZKIFP-ZJUUUORDSA-N 2 0 230.356 0.411 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1[NH2+]CCc2ccccc21)[C@H](C)[NH3+] ZINC000573786583 364914750 /nfs/dbraw/zinc/91/47/50/364914750.db2.gz VQHVYGJHSQYKSQ-OPQQBVKSSA-N 2 0 247.342 0.725 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000573815696 364920725 /nfs/dbraw/zinc/92/07/25/364920725.db2.gz UBKKYKWKUITGOA-WPRPVWTQSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]CCCC(=O)Nc1c[nH+]ccc1-n1ccnc1 ZINC000269245956 181373347 /nfs/dbraw/zinc/37/33/47/181373347.db2.gz DJKKKCFILXYHEJ-UHFFFAOYSA-N 2 0 245.286 0.945 20 0 BCADRP [NH3+]CCCCCCC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000368647827 181375606 /nfs/dbraw/zinc/37/56/06/181375606.db2.gz ZTPCEDNMYKKQEJ-IAZYJMLFSA-N 2 0 225.336 0.230 20 0 BCADRP CC1(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C[NH2+]C1 ZINC000335050699 541420082 /nfs/dbraw/zinc/42/00/82/541420082.db2.gz DUABAKQPFHNKAY-CYBMUJFWSA-N 2 0 237.347 0.198 20 0 BCADRP [NH3+]CCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250813007 181377740 /nfs/dbraw/zinc/37/77/40/181377740.db2.gz DROPERGIBNIZCW-TUAOUCFPSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)CC2(C[NH3+])CC2)CC[N@@H+]1C ZINC000573962618 364954933 /nfs/dbraw/zinc/95/49/33/364954933.db2.gz LYHRFDBTUFYFGP-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP CCCCNC(=O)CC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000573966978 364956404 /nfs/dbraw/zinc/95/64/04/364956404.db2.gz ICUYJYJSEPXMMC-LBPRGKRZSA-N 2 0 241.379 0.964 20 0 BCADRP [NH3+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[NH2+]1 ZINC000357377220 181379784 /nfs/dbraw/zinc/37/97/84/181379784.db2.gz OYZFSLMRXBYOCQ-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP COCC[NH2+]C1CCN(CC2(C[NH3+])CC2)CC1 ZINC000574044206 364975806 /nfs/dbraw/zinc/97/58/06/364975806.db2.gz BDEPKUHRZSGOHS-UHFFFAOYSA-N 2 0 241.379 0.426 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000574212045 365008423 /nfs/dbraw/zinc/00/84/23/365008423.db2.gz GNGKBXRQXCDPSL-QWHCGFSZSA-N 2 0 241.379 0.127 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000574200966 365009478 /nfs/dbraw/zinc/00/94/78/365009478.db2.gz FHJWGCNVARYITD-LBPRGKRZSA-N 2 0 233.315 0.612 20 0 BCADRP [NH3+]CCCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000309599423 181381264 /nfs/dbraw/zinc/38/12/64/181381264.db2.gz JNZDEONLGLBUEV-JTQLQIEISA-N 2 0 213.325 0.231 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000554134843 325708279 /nfs/dbraw/zinc/70/82/79/325708279.db2.gz SUGRZBMCZUUYGI-QJPTWQEYSA-N 2 0 241.379 0.926 20 0 BCADRP [NH3+]CCCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000040832381 181382511 /nfs/dbraw/zinc/38/25/11/181382511.db2.gz DWDOCWRZSYKDHL-GFCCVEGCSA-N 2 0 233.315 0.166 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000168985955 365048481 /nfs/dbraw/zinc/04/84/81/365048481.db2.gz LOPRVBGGLHHJJQ-VHSXEESVSA-N 2 0 214.309 0.751 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000574398170 365052704 /nfs/dbraw/zinc/05/27/04/365052704.db2.gz RPOLIDRNHPNGRJ-GARJFASQSA-N 2 0 244.383 0.785 20 0 BCADRP [NH3+]CCCCC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000574451276 365065378 /nfs/dbraw/zinc/06/53/78/365065378.db2.gz CANCTEFDHVRLIZ-LLVKDONJSA-N 2 0 227.352 0.621 20 0 BCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000574454135 365066285 /nfs/dbraw/zinc/06/62/85/365066285.db2.gz QGCGETLXGOLIMU-TUAOUCFPSA-N 2 0 239.363 0.522 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CCC(c2c[nH]cn2)CC1 ZINC000574274156 365024660 /nfs/dbraw/zinc/02/46/60/365024660.db2.gz KBRSPFFOBSKCJD-UHFFFAOYSA-N 2 0 248.330 0.868 20 0 BCADRP [NH3+]CCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000034248910 181392239 /nfs/dbraw/zinc/39/22/39/181392239.db2.gz QWFDQBVRJFRFDY-LBPRGKRZSA-N 2 0 211.353 0.753 20 0 BCADRP C[NH2+]C[C@](C)(O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000574284210 365029368 /nfs/dbraw/zinc/02/93/68/365029368.db2.gz PGNSQXUNFJHCHB-UTUOFQBUSA-N 2 0 214.353 0.935 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000574320885 365035849 /nfs/dbraw/zinc/03/58/49/365035849.db2.gz LIRXFRRWMJVTBJ-NWDGAFQWSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000574321491 365036315 /nfs/dbraw/zinc/03/63/15/365036315.db2.gz YCNABQUXIIVMGR-QWRGUYRKSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)C1C[NH2+]C1 ZINC000574519459 365080730 /nfs/dbraw/zinc/08/07/30/365080730.db2.gz KNKPTYKUVUMVPD-SNVBAGLBSA-N 2 0 219.332 0.843 20 0 BCADRP CC[NH2+]CCCNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000574548910 365087930 /nfs/dbraw/zinc/08/79/30/365087930.db2.gz UIBQRNYMKHPAGW-QWRGUYRKSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CCCC[NH2+]1 ZINC000574638815 365105739 /nfs/dbraw/zinc/10/57/39/365105739.db2.gz LKEHTVMRNSYUIF-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CCCC[NH2+]1 ZINC000574638817 365107640 /nfs/dbraw/zinc/10/76/40/365107640.db2.gz LKEHTVMRNSYUIF-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]CCN[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000044365016 181397921 /nfs/dbraw/zinc/39/79/21/181397921.db2.gz XKFQWRBTGQQPEP-CQSZACIVSA-N 2 0 233.359 0.852 20 0 BCADRP C[NH2+][C@@H](C)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000574650537 365113718 /nfs/dbraw/zinc/11/37/18/365113718.db2.gz CJONWIIZRUSOEQ-WPRPVWTQSA-N 2 0 248.330 0.444 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)[C@H]3CC[NH2+]C3)[C@H]2C1 ZINC000574689498 365121236 /nfs/dbraw/zinc/12/12/36/365121236.db2.gz JVKNFRXJFDQDJP-SRVKXCTJSA-N 2 0 237.347 0.149 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000433115781 192983944 /nfs/dbraw/zinc/98/39/44/192983944.db2.gz JGNNXUUGERUVRN-SRVKXCTJSA-N 2 0 241.379 0.851 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000433129858 192984445 /nfs/dbraw/zinc/98/44/45/192984445.db2.gz PLHHCGVFCZYDHK-SNVBAGLBSA-N 2 0 229.368 0.661 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000574516739 365078462 /nfs/dbraw/zinc/07/84/62/365078462.db2.gz CXIDXWJDBYDJGA-GUBZILKMSA-N 2 0 228.340 0.116 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H](C[NH3+])C(C)C ZINC000433125276 192984619 /nfs/dbraw/zinc/98/46/19/192984619.db2.gz IXPUBFUQGJOQKB-SNVBAGLBSA-N 2 0 229.368 0.851 20 0 BCADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)C1C[NH2+]C1 ZINC000574519458 365079976 /nfs/dbraw/zinc/07/99/76/365079976.db2.gz KNKPTYKUVUMVPD-JTQLQIEISA-N 2 0 219.332 0.843 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000433131750 192985063 /nfs/dbraw/zinc/98/50/63/192985063.db2.gz KZOXZFKKZQZPLM-YPMHNXCESA-N 2 0 241.379 0.723 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CCC2(CC[NH2+]2)CC1 ZINC000574875547 365165405 /nfs/dbraw/zinc/16/54/05/365165405.db2.gz SEFLHZZLYUHXBR-UHFFFAOYSA-N 2 0 223.320 0.093 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000575045108 365176659 /nfs/dbraw/zinc/17/66/59/365176659.db2.gz PYJHDVUKXWFKKK-UWVGGRQHSA-N 2 0 213.325 0.230 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000379777058 365203313 /nfs/dbraw/zinc/20/33/13/365203313.db2.gz DLFBOCFHWBWHQW-SSDOTTSWSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)C[C@@H](C)[NH2+]1 ZINC000444160319 193037909 /nfs/dbraw/zinc/03/79/09/193037909.db2.gz YQFOOBVPIGYASW-DCQANWLSSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000575124872 365212620 /nfs/dbraw/zinc/21/26/20/365212620.db2.gz KVVDKKZURRYZIL-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1CC[N@H+](CC(=O)NCCN2CCC2)C1 ZINC000575135424 365218653 /nfs/dbraw/zinc/21/86/53/365218653.db2.gz ALCPGMHZRHJHBL-LLVKDONJSA-N 2 0 225.336 0.150 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C[C@H](C)[NH2+]1 ZINC000444160327 193038851 /nfs/dbraw/zinc/03/88/51/193038851.db2.gz YQFOOBVPIGYASW-SRRSOLGSSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000444166017 193039585 /nfs/dbraw/zinc/03/95/85/193039585.db2.gz AUOCLZPORVFSPF-HBNTYKKESA-N 2 0 223.320 0.043 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CC[NH2+]1 ZINC000444167306 193040450 /nfs/dbraw/zinc/04/04/50/193040450.db2.gz LMRRWFBRNSNWKV-AXFHLTTASA-N 2 0 223.320 0.091 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000444180443 193040683 /nfs/dbraw/zinc/04/06/83/193040683.db2.gz HENHVTASWFKRPQ-NTZNESFSSA-N 2 0 237.347 0.054 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000444267688 193043302 /nfs/dbraw/zinc/04/33/02/193043302.db2.gz UEYRPIHKNYUHPA-MNOVXSKESA-N 2 0 225.336 0.387 20 0 BCADRP C[C@H]1C[C@H](N(C)C(=O)[C@H]2CC[NH2+]2)CC[N@@H+]1C ZINC000444269718 193043448 /nfs/dbraw/zinc/04/34/48/193043448.db2.gz MAGMWZFKCRNAIG-HBNTYKKESA-N 2 0 225.336 0.289 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@@H](C)C[NH2+]1 ZINC000444265854 193043689 /nfs/dbraw/zinc/04/36/89/193043689.db2.gz RWLXTQXNHKPMBZ-MPPDQPJWSA-N 2 0 237.347 0.195 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000444261989 193043968 /nfs/dbraw/zinc/04/39/68/193043968.db2.gz HZMDUMYHZPNVBQ-IJLUTSLNSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@@H](C)C[NH2+]1 ZINC000444265847 193044035 /nfs/dbraw/zinc/04/40/35/193044035.db2.gz RWLXTQXNHKPMBZ-BLFANLJRSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[NH2+]2)CC[N@@H+]1C ZINC000444269716 193044120 /nfs/dbraw/zinc/04/41/20/193044120.db2.gz MAGMWZFKCRNAIG-GMTAPVOTSA-N 2 0 225.336 0.289 20 0 BCADRP COCC[N@H+](C)CCCc1cncn1C ZINC000575192989 365235952 /nfs/dbraw/zinc/23/59/52/365235952.db2.gz UKLDVXKWQBMPNO-UHFFFAOYSA-N 2 0 211.309 0.931 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000575354357 365300010 /nfs/dbraw/zinc/30/00/10/365300010.db2.gz JRKUCMSFWBHHBD-DMDPSCGWSA-N 2 0 241.379 0.877 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000575745956 365349145 /nfs/dbraw/zinc/34/91/45/365349145.db2.gz OKYOSJFKRGRNIU-VXGBXAGGSA-N 2 0 241.379 0.738 20 0 BCADRP C[C@]1(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000579572339 366880668 /nfs/dbraw/zinc/88/06/68/366880668.db2.gz ZYWJFUGUFAWQQB-DMDPSCGWSA-N 2 0 239.363 0.762 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)CC[NH2+]C)CC1 ZINC000575801311 365366751 /nfs/dbraw/zinc/36/67/51/365366751.db2.gz OSOZMMYXAVUYIE-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000575867267 365394524 /nfs/dbraw/zinc/39/45/24/365394524.db2.gz HIQBEJRPPFFVMN-OUAUKWLOSA-N 2 0 227.352 0.618 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H]1CF ZINC000575879064 365403956 /nfs/dbraw/zinc/40/39/56/365403956.db2.gz IDSHXXIXMXFUDF-GHMZBOCLSA-N 2 0 218.316 0.733 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)CCCC[NH3+] ZINC000575804565 365369659 /nfs/dbraw/zinc/36/96/59/365369659.db2.gz VFHMRPCNOAPMBG-UHFFFAOYSA-N 2 0 201.314 0.359 20 0 BCADRP C[NH2+][C@@H](C)C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000575815538 365373272 /nfs/dbraw/zinc/37/32/72/365373272.db2.gz HNPQAPZLDXRKHG-VIFPVBQESA-N 2 0 236.319 0.690 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000575900615 365408825 /nfs/dbraw/zinc/40/88/25/365408825.db2.gz WKFSZNYUAPFHFB-NSHDSACASA-N 2 0 244.383 0.659 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000575916364 365411645 /nfs/dbraw/zinc/41/16/45/365411645.db2.gz DVJQYVFIIZLJGA-TUAOUCFPSA-N 2 0 241.379 0.641 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000575989078 365437116 /nfs/dbraw/zinc/43/71/16/365437116.db2.gz NOONYBGDYKDEAC-VXGBXAGGSA-N 2 0 211.353 0.527 20 0 BCADRP [NH3+]CCC1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000575997961 365441947 /nfs/dbraw/zinc/44/19/47/365441947.db2.gz ARKSPEGWMGOUAF-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000579590159 366894132 /nfs/dbraw/zinc/89/41/32/366894132.db2.gz MUSUGLJNVAWQQN-DBIOUOCHSA-N 2 0 225.336 0.099 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000564950013 325832146 /nfs/dbraw/zinc/83/21/46/325832146.db2.gz AVYITWDKRLOQIW-RCWTZXSCSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000564950007 325832304 /nfs/dbraw/zinc/83/23/04/325832304.db2.gz AVYITWDKRLOQIW-MMWGEVLESA-N 2 0 225.336 0.180 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)C(F)F ZINC000579712037 366982958 /nfs/dbraw/zinc/98/29/58/366982958.db2.gz NBPXEBNMQWEOHN-LAEOZQHASA-N 2 0 247.289 0.085 20 0 BCADRP [NH3+][C@@H]1CC[C@@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000579700884 366983060 /nfs/dbraw/zinc/98/30/60/366983060.db2.gz NENOVPVYNZXPGP-GMTAPVOTSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]CCCCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000579707898 366985032 /nfs/dbraw/zinc/98/50/32/366985032.db2.gz CDIQJCLCKNPBFV-CYBMUJFWSA-N 2 0 239.363 0.718 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000579709124 366986664 /nfs/dbraw/zinc/98/66/64/366986664.db2.gz WQZGUAMNRREDKW-PSASIEDQSA-N 2 0 213.325 0.086 20 0 BCADRP C[NH2+]CCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000579710539 366987993 /nfs/dbraw/zinc/98/79/93/366987993.db2.gz JUCIRZCKZTXPMB-UHFFFAOYSA-N 2 0 233.315 0.880 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000579714080 366989545 /nfs/dbraw/zinc/98/95/45/366989545.db2.gz UXQMPRHUSJSFBJ-AOOOYVTPSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C1(C[NH3+])CCCC1 ZINC000579836822 367039337 /nfs/dbraw/zinc/03/93/37/367039337.db2.gz WTIIKFWXZLHISS-IUCAKERBSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CC[NH2+]C1CC1 ZINC000579858103 367054414 /nfs/dbraw/zinc/05/44/14/367054414.db2.gz QVRKINYWRNAIHE-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CC[NH2+]C1CC1 ZINC000579972288 367098622 /nfs/dbraw/zinc/09/86/22/367098622.db2.gz SMDIEHVSACEYBC-UWVGGRQHSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000580709409 367148041 /nfs/dbraw/zinc/14/80/41/367148041.db2.gz YAQMLPCYOAVXHB-SDDRHHMPSA-N 2 0 239.363 0.620 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)CC[C@H](C)[NH3+] ZINC000193170901 367154439 /nfs/dbraw/zinc/15/44/39/367154439.db2.gz UKSZZXSMQZMGKF-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000580773538 367162539 /nfs/dbraw/zinc/16/25/39/367162539.db2.gz OIRAMAHZMOTASU-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000580783376 367164922 /nfs/dbraw/zinc/16/49/22/367164922.db2.gz IKDWKPHRFLABGU-CMPLNLGQSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193616044 367196506 /nfs/dbraw/zinc/19/65/06/367196506.db2.gz ROWWNZUIVQPAHK-OPRDCNLKSA-N 2 0 213.325 0.371 20 0 BCADRP CCCN(C(=O)[C@H](C)C[NH3+])C1CC[NH2+]CC1 ZINC000580950990 367214079 /nfs/dbraw/zinc/21/40/79/367214079.db2.gz OSOFEDMXRIXAII-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+][C@H]1Cc2ccccc2N(C(=O)C2([NH3+])CC2)C1 ZINC000581126573 367270516 /nfs/dbraw/zinc/27/05/16/367270516.db2.gz SYVLGUODJZJUBI-JTQLQIEISA-N 2 0 231.299 0.394 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000581010448 367233856 /nfs/dbraw/zinc/23/38/56/367233856.db2.gz ICGGGFXATADWNY-ZETCQYMHSA-N 2 0 237.294 0.603 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000381020745 367335426 /nfs/dbraw/zinc/33/54/26/367335426.db2.gz AARLSWOBZTYJOW-ZJUUUORDSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)C1CC([NH3+])C1 ZINC000581308797 367336165 /nfs/dbraw/zinc/33/61/65/367336165.db2.gz GXXXSYGNPUSKJU-DKEVHCRPSA-N 2 0 228.340 0.243 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000581309962 367338004 /nfs/dbraw/zinc/33/80/04/367338004.db2.gz AIDILBIFBIOVTJ-UPJWGTAASA-N 3 0 225.380 0.916 20 0 BCADRP FC(F)[C@@H]1C[NH2+]CCN1CC[C@@H]1CC[NH2+]C1 ZINC000581311178 367339502 /nfs/dbraw/zinc/33/95/02/367339502.db2.gz MAJWEXBSXPUUJV-UWVGGRQHSA-N 2 0 233.306 0.525 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000581190322 367288075 /nfs/dbraw/zinc/28/80/75/367288075.db2.gz MKSZKROAMSFKSQ-KXUCPTDWSA-N 2 0 213.325 0.357 20 0 BCADRP COC[C@H](C)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194542703 367303680 /nfs/dbraw/zinc/30/36/80/367303680.db2.gz DKJACDWDPXAVMH-UTUOFQBUSA-N 2 0 212.337 0.762 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000581252478 367310419 /nfs/dbraw/zinc/31/04/19/367310419.db2.gz USFLCQXCXFXLOI-KXUCPTDWSA-N 2 0 227.352 0.556 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C1(C[NH3+])CCCC1 ZINC000381297253 367377168 /nfs/dbraw/zinc/37/71/68/367377168.db2.gz GXXRSKYYTMMEKT-SECBINFHSA-N 2 0 213.325 0.359 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000381436842 367402840 /nfs/dbraw/zinc/40/28/40/367402840.db2.gz YEDOIODSXKEILO-LPEHRKFASA-N 2 0 213.325 0.310 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC[N@H+](CC)C(C)C ZINC000381436500 367402931 /nfs/dbraw/zinc/40/29/31/367402931.db2.gz CVJXLITXOWGHAF-JTQLQIEISA-N 2 0 215.341 0.570 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000381452702 367408056 /nfs/dbraw/zinc/40/80/56/367408056.db2.gz IBBAZHDRLQLJFK-KXUCPTDWSA-N 2 0 213.325 0.310 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000381494939 367418891 /nfs/dbraw/zinc/41/88/91/367418891.db2.gz BMEPKARAOJWLDY-KXUCPTDWSA-N 2 0 213.325 0.084 20 0 BCADRP CC[C@@H](COC)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000381215492 367364833 /nfs/dbraw/zinc/36/48/33/367364833.db2.gz FTKLRXANHPHARI-JQWIXIFHSA-N 2 0 230.352 0.456 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000381623009 367440178 /nfs/dbraw/zinc/44/01/78/367440178.db2.gz FKZCHBSQLSSIQL-VHSXEESVSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH+](C)C/C=C/C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000381767339 367455307 /nfs/dbraw/zinc/45/53/07/367455307.db2.gz VLBBXNFOQOBUKZ-AATRIKPKSA-N 2 0 225.336 0.315 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000382571535 367541736 /nfs/dbraw/zinc/54/17/36/367541736.db2.gz RNDYNHWBRONDMU-WUHRBBMRSA-N 2 0 244.379 0.702 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000382836779 367561568 /nfs/dbraw/zinc/56/15/68/367561568.db2.gz PKYHRDKXDOKMSI-CHWSQXEVSA-N 3 0 243.395 0.494 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000382836780 367562284 /nfs/dbraw/zinc/56/22/84/367562284.db2.gz PKYHRDKXDOKMSI-OLZOCXBDSA-N 3 0 243.395 0.494 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000382836782 367562327 /nfs/dbraw/zinc/56/23/27/367562327.db2.gz PKYHRDKXDOKMSI-QWHCGFSZSA-N 3 0 243.395 0.494 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CC(O)C1 ZINC000382843511 367563776 /nfs/dbraw/zinc/56/37/76/367563776.db2.gz XTKWUJGTMDXBIP-WNYYMSAVSA-N 2 0 212.337 0.687 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC(C)(C)CCC[NH3+] ZINC000382411145 367517760 /nfs/dbraw/zinc/51/77/60/367517760.db2.gz UMRHTWMTMUDALB-VIFPVBQESA-N 2 0 215.341 0.748 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H](C)[NH2+]C1CC1 ZINC000382949220 367571215 /nfs/dbraw/zinc/57/12/15/367571215.db2.gz LDYGGYYZANJHTP-NSHDSACASA-N 2 0 241.379 0.927 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H](C)CCC[NH3+] ZINC000565538585 325924995 /nfs/dbraw/zinc/92/49/95/325924995.db2.gz LNYANJDKNRAMEG-NXEZZACHSA-N 2 0 215.341 0.618 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@@H](C)[NH2+]C2CC2)CC1 ZINC000382947528 367571929 /nfs/dbraw/zinc/57/19/29/367571929.db2.gz KQBMASGEOURQDY-SNVBAGLBSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000382979682 367579846 /nfs/dbraw/zinc/57/98/46/367579846.db2.gz UBBALRASEQVEPK-NXEZZACHSA-N 2 0 227.352 0.583 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N1CCC[NH2+]CC1 ZINC000581597645 367622996 /nfs/dbraw/zinc/62/29/96/367622996.db2.gz LDBZRAMVHBOHFB-UHFFFAOYSA-N 2 0 242.367 0.379 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000383380116 367617579 /nfs/dbraw/zinc/61/75/79/367617579.db2.gz PQCFPKAZFCCEAV-VIFPVBQESA-N 2 0 213.325 0.195 20 0 BCADRP C[C@H](CC[NH+](C)C)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000383644575 367646447 /nfs/dbraw/zinc/64/64/47/367646447.db2.gz CDKUAMJBUBDWQD-YPMHNXCESA-N 2 0 243.395 0.371 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN(C)CC[NH+]1CCCC1 ZINC000383790107 367654489 /nfs/dbraw/zinc/65/44/89/367654489.db2.gz QUUIWGVVOITVDG-CYBMUJFWSA-N 2 0 243.395 0.327 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]1CC[NH2+]1)C1CCCC1 ZINC000384809305 367736165 /nfs/dbraw/zinc/73/61/65/367736165.db2.gz FMUBSCXWFPKKDT-LLVKDONJSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000581725274 367789619 /nfs/dbraw/zinc/78/96/19/367789619.db2.gz FJRCBTZWTUZWQM-NFLHVTIKSA-N 2 0 225.336 0.323 20 0 BCADRP [NH3+]CCc1ccccc1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000581733334 367796749 /nfs/dbraw/zinc/79/67/49/367796749.db2.gz CHYQLRJXTFUYSU-CYBMUJFWSA-N 2 0 247.342 0.655 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000566203297 326012439 /nfs/dbraw/zinc/01/24/39/326012439.db2.gz DQWHPCQLZOMSSF-VIFPVBQESA-N 2 0 213.325 0.243 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000581883417 367874301 /nfs/dbraw/zinc/87/43/01/367874301.db2.gz FLQDJYCHFJCABG-HBNTYKKESA-N 2 0 227.352 0.603 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCN2CC[NH2+]CC2)[C@@H]1C ZINC000386089895 367910727 /nfs/dbraw/zinc/91/07/27/367910727.db2.gz FQTMPJFHYRHDMY-IJLUTSLNSA-N 2 0 211.353 0.526 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)c1ccnc(C[NH3+])c1 ZINC000566215155 326015846 /nfs/dbraw/zinc/01/58/46/326015846.db2.gz WTTRUIVKGXKWLB-VIFPVBQESA-N 2 0 222.292 0.007 20 0 BCADRP COC[C@H](C)C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000087647035 367949128 /nfs/dbraw/zinc/94/91/28/367949128.db2.gz GUVXRXVIEWWPQA-GHMZBOCLSA-N 2 0 200.326 0.858 20 0 BCADRP COC[C@H](C)C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000581931430 367956865 /nfs/dbraw/zinc/95/68/65/367956865.db2.gz WMHJZVZGVUGPOA-GMTAPVOTSA-N 2 0 200.326 0.986 20 0 BCADRP C[C@H](NCCOCC[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000386367740 367957323 /nfs/dbraw/zinc/95/73/23/367957323.db2.gz AVNLMSGKPLNJMM-STQMWFEESA-N 2 0 243.395 0.685 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC2=[NH+]CCCN2)C1 ZINC000386488881 367979840 /nfs/dbraw/zinc/97/98/40/367979840.db2.gz UAMDHZFFVCJUFF-LLVKDONJSA-N 2 0 224.352 0.656 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000441605265 201558337 /nfs/dbraw/zinc/55/83/37/201558337.db2.gz QYPXIUPOZVQSLS-NSHDSACASA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000441610299 201559066 /nfs/dbraw/zinc/55/90/66/201559066.db2.gz LWNPPDPXGYPPOP-UTUOFQBUSA-N 2 0 241.379 0.723 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000581954423 368020703 /nfs/dbraw/zinc/02/07/03/368020703.db2.gz WZSQQXICQHRIOT-KKOKHZNYSA-N 3 0 211.353 0.973 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(C[C@@H](C)[NH3+])C1 ZINC000442662979 201584630 /nfs/dbraw/zinc/58/46/30/201584630.db2.gz GIEXOFCXOVXBLZ-VXGBXAGGSA-N 2 0 213.369 0.997 20 0 BCADRP CC[C@H](C(=O)N1CC(C[NH+](C)C)C1)[NH+](C)C ZINC000615503994 368079333 /nfs/dbraw/zinc/07/93/33/368079333.db2.gz LKXWXKROWNEUSQ-LLVKDONJSA-N 2 0 227.352 0.347 20 0 BCADRP CC[C@@H](C(=O)N1CC(C[NH+](C)C)C1)[NH+](C)C ZINC000615503995 368079357 /nfs/dbraw/zinc/07/93/57/368079357.db2.gz LKXWXKROWNEUSQ-NSHDSACASA-N 2 0 227.352 0.347 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000566796752 326083749 /nfs/dbraw/zinc/08/37/49/326083749.db2.gz IFCWRVVLSOKIGT-GARJFASQSA-N 2 0 225.336 0.230 20 0 BCADRP O=C([C@H]1CCCCC[NH2+]1)N1CCC[NH2+]CC1 ZINC000080993988 368564011 /nfs/dbraw/zinc/56/40/11/368564011.db2.gz SLLPMVGPDJHSPU-LLVKDONJSA-N 2 0 225.336 0.341 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000062975299 368578917 /nfs/dbraw/zinc/57/89/17/368578917.db2.gz GIFAIZKFBJUNMV-MXWKQRLJSA-N 2 0 225.336 0.276 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000081015488 368567469 /nfs/dbraw/zinc/56/74/69/368567469.db2.gz WJNBSZLJNHEZPT-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCc1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000567110050 326117552 /nfs/dbraw/zinc/11/75/52/326117552.db2.gz ONIGBXVPGGCGOH-QMMMGPOBSA-N 2 0 212.297 0.877 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000154020604 326125807 /nfs/dbraw/zinc/12/58/07/326125807.db2.gz XEPXWDWYHNHZFK-ZNSHCXBVSA-N 2 0 227.352 0.569 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000567236947 326148224 /nfs/dbraw/zinc/14/82/24/326148224.db2.gz VRLUMOFYYODWMO-GVXVVHGQSA-N 2 0 239.363 0.620 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000084420092 368855184 /nfs/dbraw/zinc/85/51/84/368855184.db2.gz UPCVPKNALHIFOP-VHSXEESVSA-N 2 0 213.325 0.147 20 0 BCADRP CN(C)C(=O)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086403304 368879940 /nfs/dbraw/zinc/87/99/40/368879940.db2.gz GZQOVOLCUWRJMA-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+]CCCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000086573144 368882557 /nfs/dbraw/zinc/88/25/57/368882557.db2.gz YOVBXBVSPXKOMI-FGWVZKOKSA-N 2 0 225.336 0.372 20 0 BCADRP CCN1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000084384578 368853206 /nfs/dbraw/zinc/85/32/06/368853206.db2.gz SFYDZIZYWAJHJW-GFCCVEGCSA-N 2 0 211.353 0.624 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000084420089 368854244 /nfs/dbraw/zinc/85/42/44/368854244.db2.gz UPCVPKNALHIFOP-UWVGGRQHSA-N 2 0 213.325 0.147 20 0 BCADRP c1nc2n(n1)[C@H](C[N@@H+]1CC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC000631823435 368982001 /nfs/dbraw/zinc/98/20/01/368982001.db2.gz DNKUOXFUICSKDO-WCQYABFASA-N 2 0 247.346 0.451 20 0 BCADRP CCO[C@@H]1C[N@H+](C[C@H]2CCO[C@H]2C)C[C@H]1C[NH3+] ZINC000631828995 369003771 /nfs/dbraw/zinc/00/37/71/369003771.db2.gz DGKCEUVWELMZTJ-UMSGYPCISA-N 2 0 242.363 0.707 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCO[C@@H]1C ZINC000631830672 369009272 /nfs/dbraw/zinc/00/92/72/369009272.db2.gz YRLHLTNPCAAXGM-NEPJUHHUSA-N 2 0 230.352 0.579 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)CC1(C)C ZINC000623661095 369070104 /nfs/dbraw/zinc/07/01/04/369070104.db2.gz ICWCUAFMMUZGLR-DCAQKATOSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1C[N@H+](CCOC2CCOCC2)C[C@H]1C[NH3+] ZINC000631837539 369098527 /nfs/dbraw/zinc/09/85/27/369098527.db2.gz TUPHMPOYOWPGRN-VXGBXAGGSA-N 2 0 242.363 0.709 20 0 BCADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000631838806 369122160 /nfs/dbraw/zinc/12/21/60/369122160.db2.gz VMWGJAGQEDUCEM-DGCLKSJQSA-N 3 0 225.380 0.903 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000521590246 259536732 /nfs/dbraw/zinc/53/67/32/259536732.db2.gz RWUDWVGUNCTQHR-FOGDFJRCSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](C)[NH+](C)C ZINC000458750849 203194897 /nfs/dbraw/zinc/19/48/97/203194897.db2.gz FSAQJDZTXKTSKU-UWVGGRQHSA-N 2 0 230.356 0.186 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]2(C)CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000567586796 326223741 /nfs/dbraw/zinc/22/37/41/326223741.db2.gz HTJSRAFHQXLQIT-JFGNBEQYSA-N 2 0 225.336 0.182 20 0 BCADRP COCC[N@@H+]1CC[C@H](NCCC[NH2+]C(C)C)C1 ZINC000567639278 326236640 /nfs/dbraw/zinc/23/66/40/326236640.db2.gz DHTVFERFWOMCCQ-ZDUSSCGKSA-N 2 0 243.395 0.685 20 0 BCADRP [NH3+][C@H]1CCCCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000567654813 326239182 /nfs/dbraw/zinc/23/91/82/326239182.db2.gz IHOLXDQUTWSMOT-KZZRWZIVSA-N 2 0 209.337 0.454 20 0 BCADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]CCC(N)=O)C1 ZINC000567685194 326244714 /nfs/dbraw/zinc/24/47/14/326244714.db2.gz XDLNMOPTZAKMAT-LLVKDONJSA-N 2 0 227.352 0.429 20 0 BCADRP CN(C)CC(C)(C)[NH2+]CCN1CCCOCC1 ZINC000459567838 203303042 /nfs/dbraw/zinc/30/30/42/203303042.db2.gz WLWRGVPAZTUACB-UHFFFAOYSA-N 2 0 243.395 0.639 20 0 BCADRP CCOC(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404905639 369438169 /nfs/dbraw/zinc/43/81/69/369438169.db2.gz ROMYLLLROYFRBR-BDAKNGLRSA-N 2 0 214.309 0.655 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404969932 369440859 /nfs/dbraw/zinc/44/08/59/369440859.db2.gz KMQCNHPCLUTCIU-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCN2CCCC2=O)CC[N@@H+]1C ZINC000405427177 369460211 /nfs/dbraw/zinc/46/02/11/369460211.db2.gz HWZJCMGKDWSAPI-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000619898150 369630341 /nfs/dbraw/zinc/63/03/41/369630341.db2.gz FBSTYSGTGDGQNZ-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP [NH3+]CCC1CC[NH+](CC2(C[NH3+])CC2)CC1 ZINC000568007306 326294829 /nfs/dbraw/zinc/29/48/29/326294829.db2.gz GENAAAHCYHKJQX-UHFFFAOYSA-N 3 0 211.353 0.786 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)C[NH2+]C)C1 ZINC000252639638 370104343 /nfs/dbraw/zinc/10/43/43/370104343.db2.gz KAIIBRQMMZTUKS-MNOVXSKESA-N 2 0 227.352 0.300 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000063582808 370173645 /nfs/dbraw/zinc/17/36/45/370173645.db2.gz IGICWTGVCMLHAV-NSHDSACASA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252881802 370138365 /nfs/dbraw/zinc/13/83/65/370138365.db2.gz YZAWMINZWHBKMT-BJDJZHNGSA-N 2 0 239.363 0.713 20 0 BCADRP O[C@@H](C[NH2+]C[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000037859678 370231069 /nfs/dbraw/zinc/23/10/69/370231069.db2.gz KTPGNRHVZRDSAV-NWDGAFQWSA-N 2 0 228.336 0.212 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000309833357 370265978 /nfs/dbraw/zinc/26/59/78/370265978.db2.gz ZFPMKYQWZAJWRZ-GHMZBOCLSA-N 2 0 215.341 0.021 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@H]2CN(C)C[C@H]2C)C1 ZINC000621387793 370330638 /nfs/dbraw/zinc/33/06/38/370330638.db2.gz OTHQWGIYCNVBKH-JLLWLGSASA-N 2 0 225.336 0.147 20 0 BCADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[NH2+]1)C2 ZINC000621683898 370432602 /nfs/dbraw/zinc/43/26/02/370432602.db2.gz DQUWNGJFIAKEIO-HOSYDEDBSA-N 2 0 223.320 0.078 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621683160 370432647 /nfs/dbraw/zinc/43/26/47/370432647.db2.gz QUVXXPXLCZOWIL-UXCLJVHYSA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[C@]13CC[NH2+]C3)C2 ZINC000621683304 370432650 /nfs/dbraw/zinc/43/26/50/370432650.db2.gz SYSUBIWKAZQVJL-XWUBHJNHSA-N 2 0 249.358 0.326 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621620927 370405482 /nfs/dbraw/zinc/40/54/82/370405482.db2.gz MKUMAYOBFJYTFR-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)(C[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621622099 370406323 /nfs/dbraw/zinc/40/63/23/370406323.db2.gz UMCHSUAHWPAMPZ-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684503 370434803 /nfs/dbraw/zinc/43/48/03/370434803.db2.gz NIMLWGATBSDWNQ-RNSXUZJQSA-N 2 0 247.289 0.309 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621685135 370434816 /nfs/dbraw/zinc/43/48/16/370434816.db2.gz ZGMDETNWYCSDFQ-YPMHNXCESA-N 2 0 239.363 0.714 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684514 370435016 /nfs/dbraw/zinc/43/50/16/370435016.db2.gz NOVAWWSAWHQDGF-MDZLAQPJSA-N 2 0 239.363 0.714 20 0 BCADRP CN(C(=O)CC[C@@H]1CCC[NH2+]C1)C1CC([NH3+])C1 ZINC000621658739 370415154 /nfs/dbraw/zinc/41/51/54/370415154.db2.gz RACCBFNWRMQKGB-UNXYVOJBSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621658436 370415660 /nfs/dbraw/zinc/41/56/60/370415660.db2.gz IKGBUFPGENBVCN-QWRGUYRKSA-N 2 0 227.352 0.620 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621658435 370415804 /nfs/dbraw/zinc/41/58/04/370415804.db2.gz IKGBUFPGENBVCN-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621693578 370439862 /nfs/dbraw/zinc/43/98/62/370439862.db2.gz YDWKPPNDACBFIF-YPMHNXCESA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000621702846 370449624 /nfs/dbraw/zinc/44/96/24/370449624.db2.gz IMYCLQIYMXLACE-IVZWLZJFSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000621703713 370451520 /nfs/dbraw/zinc/45/15/20/370451520.db2.gz SHGSBCHOJMTFIO-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000621703300 370451546 /nfs/dbraw/zinc/45/15/46/370451546.db2.gz ITSZVDLYMHWERJ-JTQLQIEISA-N 2 0 247.342 0.799 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621690548 370438862 /nfs/dbraw/zinc/43/88/62/370438862.db2.gz VVCIDAKGUUTPGH-AAEUAGOBSA-N 2 0 239.363 0.668 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621690153 370438877 /nfs/dbraw/zinc/43/88/77/370438877.db2.gz QFQRTKJRZCUBLI-AAEUAGOBSA-N 2 0 239.363 0.668 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000159067333 326348929 /nfs/dbraw/zinc/34/89/29/326348929.db2.gz JPNVUCNTIBFDMT-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CCn1cc(CC[N@@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000621774408 370519917 /nfs/dbraw/zinc/51/99/17/370519917.db2.gz SRCSGNXZKCISJH-LLVKDONJSA-N 2 0 222.336 0.726 20 0 BCADRP CCn1cc(CC[N@H+](C)CCC[NH3+])cn1 ZINC000621774010 370518335 /nfs/dbraw/zinc/51/83/35/370518335.db2.gz IEDVSETWGLEFSM-UHFFFAOYSA-N 2 0 210.325 0.726 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000114400268 370557444 /nfs/dbraw/zinc/55/74/44/370557444.db2.gz CXBNLFOOUBVIHR-NEPJUHHUSA-N 2 0 239.363 0.491 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(CCn1cncn1)C2 ZINC000621781952 370529940 /nfs/dbraw/zinc/52/99/40/370529940.db2.gz KJTKJQYDZPNEGO-QWRGUYRKSA-N 2 0 221.308 0.091 20 0 BCADRP Cn1cc(CCN2C[C@@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000621781961 370530891 /nfs/dbraw/zinc/53/08/91/370530891.db2.gz KLNFDXNHWHKLSL-STQMWFEESA-N 2 0 234.347 0.776 20 0 BCADRP c1cncc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000078777443 370599807 /nfs/dbraw/zinc/59/98/07/370599807.db2.gz OBISGFVIYDEALW-STQMWFEESA-N 2 0 217.316 0.775 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000568516810 326362318 /nfs/dbraw/zinc/36/23/18/326362318.db2.gz OQPNGCDXNKJFRR-NWDGAFQWSA-N 2 0 239.363 0.444 20 0 BCADRP Cn1nccc1CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889896 370997757 /nfs/dbraw/zinc/99/77/57/370997757.db2.gz KQTXETFKQIBKKE-YPMHNXCESA-N 2 0 234.347 0.994 20 0 BCADRP O[C@@H]1CCN(CC[NH2+]Cc2ccc(F)cc2)C1 ZINC000623756982 371083326 /nfs/dbraw/zinc/08/33/26/371083326.db2.gz LKMSXQWUEXPCPX-CYBMUJFWSA-N 2 0 238.306 0.982 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000568760760 326375478 /nfs/dbraw/zinc/37/54/78/326375478.db2.gz ANCIGQVLPHKWJG-LLVKDONJSA-N 2 0 239.363 0.703 20 0 BCADRP Cn1cccc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000623836966 371119545 /nfs/dbraw/zinc/11/95/45/371119545.db2.gz RPCYJFMVWQPDDY-LBPRGKRZSA-N 2 0 223.320 0.181 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]([NH3+])CC(F)F ZINC000568987039 326385120 /nfs/dbraw/zinc/38/51/20/326385120.db2.gz WUWWXALSZZWTSH-FDDDBJFASA-N 2 0 249.305 0.472 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000369889396 181573769 /nfs/dbraw/zinc/57/37/69/181573769.db2.gz RJXISEQIIWVWTQ-NOHGZBONSA-N 2 0 237.347 0.372 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000128572902 181575128 /nfs/dbraw/zinc/57/51/28/181575128.db2.gz NFMUIYOAQWYHPD-VXGBXAGGSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000572734519 326408000 /nfs/dbraw/zinc/40/80/00/326408000.db2.gz AYQCETFIJWDDKI-GKDVJIACSA-N 2 0 225.336 0.336 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120198 371318960 /nfs/dbraw/zinc/31/89/60/371318960.db2.gz UHPCJRNVALJYSH-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000572780232 326410678 /nfs/dbraw/zinc/41/06/78/326410678.db2.gz DKHHASSGPZNYNJ-GXSJLCMTSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120196 371320014 /nfs/dbraw/zinc/32/00/14/371320014.db2.gz UHPCJRNVALJYSH-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COCCN2C)CC[N@@H+]1C ZINC000624174262 371365039 /nfs/dbraw/zinc/36/50/39/371365039.db2.gz UVCCXYHPXAQQDR-FRRDWIJNSA-N 2 0 241.379 0.389 20 0 BCADRP CC[C@H]1CC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000624230742 371418919 /nfs/dbraw/zinc/41/89/19/371418919.db2.gz FTANRMSSLHKKLF-QJPTWQEYSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@H]([NH2+]CCN1CC[C@H](O)C1)[C@@H]1CCCOC1 ZINC000624337837 371487334 /nfs/dbraw/zinc/48/73/34/371487334.db2.gz POHGERXXFXJSAE-XQQFMLRXSA-N 2 0 242.363 0.458 20 0 BCADRP Nc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000336538178 181743277 /nfs/dbraw/zinc/74/32/77/181743277.db2.gz ATZXXSOWLLDSRQ-TXEJJXNPSA-N 2 0 217.316 0.920 20 0 BCADRP [NH3+]CCOCCN1C[C@H](C[NH3+])Cc2ccccc21 ZINC000631894036 371598419 /nfs/dbraw/zinc/59/84/19/371598419.db2.gz ILEULHOYPJVXEC-LBPRGKRZSA-N 2 0 249.358 0.599 20 0 BCADRP O=C1[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1C1CCC1 ZINC000631825484 372603689 /nfs/dbraw/zinc/60/36/89/372603689.db2.gz KCQGUSDPHGJHBW-LOWVWBTDSA-N 2 0 249.358 0.291 20 0 BCADRP Cc1nccnc1C[NH+]1CCC(C[NH3+])CC1 ZINC000631821181 372595481 /nfs/dbraw/zinc/59/54/81/372595481.db2.gz QVDXETHGGOWQEM-UHFFFAOYSA-N 2 0 220.320 0.956 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631822252 372598765 /nfs/dbraw/zinc/59/87/65/372598765.db2.gz XVXBTSSXZSFDLC-TUAOUCFPSA-N 2 0 249.362 0.825 20 0 BCADRP C[N@H+](C[C@H]1CCc2ncnn21)[C@H]1CCC[NH2+]CC1 ZINC000631823454 372600105 /nfs/dbraw/zinc/60/01/05/372600105.db2.gz FDFOJRNHSOAOMH-NWDGAFQWSA-N 2 0 249.362 0.839 20 0 BCADRP C[C@@H]1OCC[C@H]1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000631828152 372608633 /nfs/dbraw/zinc/60/86/33/372608633.db2.gz GUKPPTVGWYXOFW-QWRGUYRKSA-N 2 0 228.336 0.197 20 0 BCADRP C[C@@H]1OCC[C@H]1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000631829486 372610343 /nfs/dbraw/zinc/61/03/43/372610343.db2.gz RIMYQELMCDSSKB-QWRGUYRKSA-N 2 0 228.336 0.116 20 0 BCADRP [NH3+][C@H]1CCCCCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000631835063 372620265 /nfs/dbraw/zinc/62/02/65/372620265.db2.gz LMJRZIRLLKXXDU-NWDGAFQWSA-N 2 0 227.352 0.178 20 0 BCADRP C[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1C[NH3+] ZINC000631837101 372627205 /nfs/dbraw/zinc/62/72/05/372627205.db2.gz MUSJUZDXDVHRSJ-BBBLOLIVSA-N 2 0 234.290 0.937 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1C[NH3+] ZINC000631837046 372627724 /nfs/dbraw/zinc/62/77/24/372627724.db2.gz MBMZHCABLGBHHQ-IJLUTSLNSA-N 3 0 239.363 0.034 20 0 BCADRP C[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000631837740 372629742 /nfs/dbraw/zinc/62/97/42/372629742.db2.gz DSMXOYCIZOHLEP-ZYHUDNBSSA-N 2 0 222.336 0.489 20 0 BCADRP COCC[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839221 372633970 /nfs/dbraw/zinc/63/39/70/372633970.db2.gz BZTCCDBVFMCMRV-OUAUKWLOSA-N 2 0 200.326 0.938 20 0 BCADRP C(C1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631852776 372652580 /nfs/dbraw/zinc/65/25/80/372652580.db2.gz DRRWREROQACMGM-TXEJJXNPSA-N 2 0 209.337 0.422 20 0 BCADRP C[C@@H]1C[C@@H](N)C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000631860635 372660164 /nfs/dbraw/zinc/66/01/64/372660164.db2.gz METXSZUEZBNWDP-GRYCIOLGSA-N 2 0 211.353 0.798 20 0 BCADRP OCC[NH2+]C1CC[NH+](CC2CCC2)CC1 ZINC000631862977 372665252 /nfs/dbraw/zinc/66/52/52/372665252.db2.gz VSYJHRODHOYZDR-UHFFFAOYSA-N 2 0 212.337 0.833 20 0 BCADRP COCCCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000631864788 372666703 /nfs/dbraw/zinc/66/67/03/372666703.db2.gz VVEVPEFHZOQTMI-UHFFFAOYSA-N 2 0 230.352 0.459 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(C)(F)CC1 ZINC000631866972 372668385 /nfs/dbraw/zinc/66/83/85/372668385.db2.gz FOEXPUFOPSACTL-LLVKDONJSA-N 2 0 218.316 0.781 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]CC1)NCC[NH2+]C1CC1 ZINC000364461913 182028549 /nfs/dbraw/zinc/02/85/49/182028549.db2.gz BMUXYBKVCLFJGJ-NSHDSACASA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000632878904 373205277 /nfs/dbraw/zinc/20/52/77/373205277.db2.gz QUGVXUIMSNUJDF-GHMZBOCLSA-N 2 0 247.342 0.888 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632879475 373206287 /nfs/dbraw/zinc/20/62/87/373206287.db2.gz TYUGNCHHWZPSOS-MXWKQRLJSA-N 2 0 225.336 0.182 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)[C@@H]1CCCCC[NH2+]1 ZINC000364463337 182135515 /nfs/dbraw/zinc/13/55/15/182135515.db2.gz SGIVZZQNAJNTRR-LBPRGKRZSA-N 2 0 237.347 0.555 20 0 BCADRP O=C(NCC[NH+]1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000049575452 182185600 /nfs/dbraw/zinc/18/56/00/182185600.db2.gz ZDCCZJIGIFPDOV-LBPRGKRZSA-N 2 0 239.363 0.731 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000634076315 373941535 /nfs/dbraw/zinc/94/15/35/373941535.db2.gz CSYUVCPTHAZCEW-NSHDSACASA-N 2 0 244.383 0.803 20 0 BCADRP CC(C)(C[NH3+])NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634268494 374083397 /nfs/dbraw/zinc/08/33/97/374083397.db2.gz AQLBAFKXPHVFEV-SECBINFHSA-N 2 0 228.340 0.165 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634300666 374126940 /nfs/dbraw/zinc/12/69/40/374126940.db2.gz HDWVKPMZDZWCJL-VXGBXAGGSA-N 2 0 241.379 0.783 20 0 BCADRP CC(C)[C@H]1CN(C(=O)CCCC[NH3+])CC[N@@H+]1C ZINC000634300868 374128465 /nfs/dbraw/zinc/12/84/65/374128465.db2.gz NRDGEVGDJNXZTK-GFCCVEGCSA-N 2 0 241.379 0.914 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634270296 374084678 /nfs/dbraw/zinc/08/46/78/374084678.db2.gz MOEMPHJOCYGGLX-NXEZZACHSA-N 2 0 228.340 0.165 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634270298 374084721 /nfs/dbraw/zinc/08/47/21/374084721.db2.gz MOEMPHJOCYGGLX-VHSXEESVSA-N 2 0 228.340 0.165 20 0 BCADRP CC[NH2+]CCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634270580 374084750 /nfs/dbraw/zinc/08/47/50/374084750.db2.gz OKIXBDUHWOMIDZ-SNVBAGLBSA-N 2 0 228.340 0.037 20 0 BCADRP [NH3+]C[C@@H](NC(=O)NC[C@H]1CCCC[NH2+]1)C1CC1 ZINC000634271843 374086103 /nfs/dbraw/zinc/08/61/03/374086103.db2.gz WRSFWUOOEYEETP-GHMZBOCLSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C[NH2+]CC1CC1 ZINC000193639798 205990212 /nfs/dbraw/zinc/99/02/12/205990212.db2.gz BJPUDFPILMWWLQ-KOLCDFICSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418402412 206018484 /nfs/dbraw/zinc/01/84/84/206018484.db2.gz ZKVIMQUXYNVDRB-HBNTYKKESA-N 2 0 242.367 0.139 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418355372 206011349 /nfs/dbraw/zinc/01/13/49/206011349.db2.gz BJLYGTXEHLFWFM-QWRGUYRKSA-N 2 0 242.367 0.555 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000418389578 206017809 /nfs/dbraw/zinc/01/78/09/206017809.db2.gz UBDTZVWGLRXCGA-DCAQKATOSA-N 2 0 240.351 0.165 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000418388714 206018154 /nfs/dbraw/zinc/01/81/54/206018154.db2.gz NLJFTQBBKVAHQT-HBNTYKKESA-N 2 0 242.367 0.234 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418402409 206018322 /nfs/dbraw/zinc/01/83/22/206018322.db2.gz ZKVIMQUXYNVDRB-AXFHLTTASA-N 2 0 242.367 0.139 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000424129668 206033675 /nfs/dbraw/zinc/03/36/75/206033675.db2.gz GJVGWLNDALQWTP-YFKTTZPYSA-N 2 0 239.363 0.713 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC000037023696 182301401 /nfs/dbraw/zinc/30/14/01/182301401.db2.gz SZHOSNJOPBWCLC-WOPDTQHZSA-N 2 0 237.347 0.481 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000132911066 182303200 /nfs/dbraw/zinc/30/32/00/182303200.db2.gz STCNJOBUEJXWHN-IJLUTSLNSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)NCC[C@H](C)[NH3+])CC1 ZINC000429020701 206061131 /nfs/dbraw/zinc/06/11/31/206061131.db2.gz NTSYMKBGSBEHJF-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000449598242 206099804 /nfs/dbraw/zinc/09/98/04/206099804.db2.gz BIKLZXSOGXCNEX-UXCLJVHYSA-N 2 0 227.352 0.746 20 0 BCADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000044726739 182334208 /nfs/dbraw/zinc/33/42/08/182334208.db2.gz VGGFKDOFYXBXAQ-JQWIXIFHSA-N 2 0 237.347 0.481 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000178406947 134310266 /nfs/dbraw/zinc/31/02/66/134310266.db2.gz MUCAYRYJAHVLEL-PWSUYJOCSA-N 2 0 239.363 0.714 20 0 BCADRP OCCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000304292174 183057307 /nfs/dbraw/zinc/05/73/07/183057307.db2.gz MNRBQFCRSRJCBK-LBPRGKRZSA-N 2 0 212.337 0.787 20 0 BCADRP OCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250830296 183079723 /nfs/dbraw/zinc/07/97/23/183079723.db2.gz IVFHBQQDANQSIB-QJPTWQEYSA-N 2 0 212.337 0.879 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)CCC[NH2+]C ZINC000236881465 169002504 /nfs/dbraw/zinc/00/25/04/169002504.db2.gz HLGAXIPOFJGYQN-SNVBAGLBSA-N 2 0 215.341 0.620 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000377150265 169002765 /nfs/dbraw/zinc/00/27/65/169002765.db2.gz FGHSMFNHYRMHOO-KOLCDFICSA-N 2 0 231.315 0.322 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000353380739 169005904 /nfs/dbraw/zinc/00/59/04/169005904.db2.gz DCNGXJPKFFOFRZ-SRVKXCTJSA-N 2 0 239.363 0.572 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000309000699 169007346 /nfs/dbraw/zinc/00/73/46/169007346.db2.gz OAXLELRBKWJLJT-IUCAKERBSA-N 2 0 201.314 0.357 20 0 BCADRP OC[C@@H]1CCC[NH+]1CCC[N@H+]1CCC[C@H]1CO ZINC000071920933 183120317 /nfs/dbraw/zinc/12/03/17/183120317.db2.gz NLFDFXLSEISWHZ-STQMWFEESA-N 2 0 242.363 0.290 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@H](C)[NH2+]C ZINC000308999460 169007720 /nfs/dbraw/zinc/00/77/20/169007720.db2.gz NONAHNWUYNYSJP-IUCAKERBSA-N 2 0 201.314 0.228 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH2+]C ZINC000308999457 169007723 /nfs/dbraw/zinc/00/77/23/169007723.db2.gz NONAHNWUYNYSJP-BDAKNGLRSA-N 2 0 201.314 0.228 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH3+] ZINC000309091871 169007742 /nfs/dbraw/zinc/00/77/42/169007742.db2.gz BLGLUTWDGBWYLC-IUCAKERBSA-N 2 0 201.314 0.357 20 0 BCADRP CCCN(C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000333672046 169043679 /nfs/dbraw/zinc/04/36/79/169043679.db2.gz NFOYJTFGDBGISH-QWRGUYRKSA-N 2 0 240.351 0.132 20 0 BCADRP CCCN(C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000333672044 169044244 /nfs/dbraw/zinc/04/42/44/169044244.db2.gz NFOYJTFGDBGISH-MNOVXSKESA-N 2 0 240.351 0.132 20 0 BCADRP O[C@@H](C[NH2+]C1CCOCC1)C[NH+]1CCCC1 ZINC000037893096 183179155 /nfs/dbraw/zinc/17/91/55/183179155.db2.gz NXYXEURWIONYRF-LBPRGKRZSA-N 2 0 228.336 0.212 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358756132 169067838 /nfs/dbraw/zinc/06/78/38/169067838.db2.gz MPAWPVHXWHELIS-TXEJJXNPSA-N 2 0 241.379 0.879 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000356394883 169068781 /nfs/dbraw/zinc/06/87/81/169068781.db2.gz PSYDTDHNQBZKJB-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[NH2+]C(C)(C)C ZINC000310022250 169069922 /nfs/dbraw/zinc/06/99/22/169069922.db2.gz NXOIZCJZLJPJMR-UHFFFAOYSA-N 2 0 229.368 0.833 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)C[NH+](C)C ZINC000341310601 169070263 /nfs/dbraw/zinc/07/02/63/169070263.db2.gz ZLFQUZRCIUOQGG-LLVKDONJSA-N 2 0 229.368 0.642 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC(C)(C)[NH3+] ZINC000309609528 169070603 /nfs/dbraw/zinc/07/06/03/169070603.db2.gz MHHDOSGTUPZZJL-UHFFFAOYSA-N 2 0 201.314 0.182 20 0 BCADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]C ZINC000336718597 169070875 /nfs/dbraw/zinc/07/08/75/169070875.db2.gz XKMCJPRELIYZNQ-UHFFFAOYSA-N 2 0 201.314 0.054 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000359314619 169073457 /nfs/dbraw/zinc/07/34/57/169073457.db2.gz DPUDZCJBNXGBBO-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H](C)CC[NH+](C)C ZINC000355601598 169075610 /nfs/dbraw/zinc/07/56/10/169075610.db2.gz ZRWNNUZSTJLNOY-LLVKDONJSA-N 2 0 229.368 0.785 20 0 BCADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COC)C1 ZINC000127319998 169079599 /nfs/dbraw/zinc/07/95/99/169079599.db2.gz XRQJSPVWVNZYLG-CHWSQXEVSA-N 2 0 244.379 0.657 20 0 BCADRP O[C@H]1CC[NH+](CCCCC[N@H+]2CC[C@H](O)C2)C1 ZINC000337976760 183238100 /nfs/dbraw/zinc/23/81/00/183238100.db2.gz LZTRLJHYTXWCAK-STQMWFEESA-N 2 0 242.363 0.290 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C(C)(C)[NH3+] ZINC000226406876 169121034 /nfs/dbraw/zinc/12/10/34/169121034.db2.gz DHTREQYAPJUJAD-UHFFFAOYSA-N 2 0 215.341 0.572 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C1([NH3+])CC1 ZINC000226406818 169121042 /nfs/dbraw/zinc/12/10/42/169121042.db2.gz WYDUOHOIELTPSG-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H](C)C[NH2+]C ZINC000226407568 169121091 /nfs/dbraw/zinc/12/10/91/169121091.db2.gz NZHQCIWOAQHQAJ-NSHDSACASA-N 2 0 229.368 0.690 20 0 BCADRP CCCN(CCC)C(=O)CN1CC[C@@H](C[NH3+])C1 ZINC000050248050 169141599 /nfs/dbraw/zinc/14/15/99/169141599.db2.gz RMOGMTTZVOSXPZ-LBPRGKRZSA-N 2 0 241.379 0.916 20 0 BCADRP CCC[NH+]1CCC(NC[C@H](O)C[NH+](C)C)CC1 ZINC000049555208 169187786 /nfs/dbraw/zinc/18/77/86/169187786.db2.gz CRMQBDFHUYDWBU-ZDUSSCGKSA-N 2 0 243.395 0.373 20 0 BCADRP CCC[NH+]1CCC([NH2+][C@H]2CCC(=O)NC2)CC1 ZINC000111018491 169190128 /nfs/dbraw/zinc/19/01/28/169190128.db2.gz GBDYVFYRTJJYCL-LBPRGKRZSA-N 2 0 239.363 0.729 20 0 BCADRP CCC[NH+]1CCC([NH2+][C@@H](C)CO)CC1 ZINC000035603648 169190366 /nfs/dbraw/zinc/19/03/66/169190366.db2.gz HDVQBQZZACARKK-JTQLQIEISA-N 2 0 200.326 0.831 20 0 BCADRP c1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)ccn1 ZINC000077403802 183346149 /nfs/dbraw/zinc/34/61/49/183346149.db2.gz DGCZLMCTOTVFGY-AWEZNQCLSA-N 2 0 246.358 0.561 20 0 BCADRP CCCNC(=O)CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000360165255 169216778 /nfs/dbraw/zinc/21/67/78/169216778.db2.gz KVSHXDRMWGRKIG-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000377583459 169257976 /nfs/dbraw/zinc/25/79/76/169257976.db2.gz IITWHQITSNPCIJ-GHMZBOCLSA-N 2 0 227.352 0.490 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000236783064 169258047 /nfs/dbraw/zinc/25/80/47/169258047.db2.gz ALUQCKFLZAIRIO-ZDUSSCGKSA-N 2 0 249.358 0.672 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000236800315 169258945 /nfs/dbraw/zinc/25/89/45/169258945.db2.gz DJRCLVKSXHXHOY-GFCCVEGCSA-N 2 0 235.331 0.802 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000377803675 169259459 /nfs/dbraw/zinc/25/94/59/169259459.db2.gz YZCUZMNZELPBFI-RYUDHWBXSA-N 2 0 241.379 0.736 20 0 BCADRP CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224295222 169241517 /nfs/dbraw/zinc/24/15/17/169241517.db2.gz KJOIJGQWUCKJRC-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP CCCNC(=O)[C@H](C)[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166177 169245865 /nfs/dbraw/zinc/24/58/65/169245865.db2.gz VQPWCLHXSYSBQJ-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000364646821 169386391 /nfs/dbraw/zinc/38/63/91/169386391.db2.gz NWMFDAGBHWYOOT-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]1C[C@@H](N(C)C(=O)CCC[NH3+])CC[N@@H+]1C ZINC000178816131 134315512 /nfs/dbraw/zinc/31/55/12/134315512.db2.gz SMDSNDWVJDQHSV-QWRGUYRKSA-N 2 0 227.352 0.666 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000262430622 169389873 /nfs/dbraw/zinc/38/98/73/169389873.db2.gz JIGNNIVYCGAFIV-NEPJUHHUSA-N 2 0 235.331 0.930 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000179149537 134317692 /nfs/dbraw/zinc/31/76/92/134317692.db2.gz XTOIFXLMINLCHZ-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000309474385 169391846 /nfs/dbraw/zinc/39/18/46/169391846.db2.gz RPMIYGFLTCBJOD-VHSXEESVSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@H]([NH3+])C2)CCCC[NH2+]1 ZINC000180896326 134332097 /nfs/dbraw/zinc/33/20/97/134332097.db2.gz XCRVMXMXHQIIRN-ONGXEEELSA-N 2 0 211.309 0.078 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000038089328 169501373 /nfs/dbraw/zinc/50/13/73/169501373.db2.gz VYYOGWPNJYLODT-IUCAKERBSA-N 2 0 201.314 0.180 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000226397493 169841816 /nfs/dbraw/zinc/84/18/16/169841816.db2.gz PPQRAZYIAGHRTB-LBPRGKRZSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H](CC(=O)NCCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000087973452 383823783 /nfs/dbraw/zinc/82/37/83/383823783.db2.gz LVFBSQAHJYUEOX-WDEREUQCSA-N 2 0 227.352 0.477 20 0 BCADRP CC(C)[N@@H+](C)CCNC(=O)CC[C@@H](C)[NH3+] ZINC000069840201 383848285 /nfs/dbraw/zinc/84/82/85/383848285.db2.gz UDJSVDLEWAAHRP-SNVBAGLBSA-N 2 0 215.341 0.570 20 0 BCADRP CC[C@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)CC[C@H]1[NH3+] ZINC000648124827 383851714 /nfs/dbraw/zinc/85/17/14/383851714.db2.gz CXLAJNZRLBVHID-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP COCC[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000301048521 383876798 /nfs/dbraw/zinc/87/67/98/383876798.db2.gz QPGWCTVQESMWES-JTQLQIEISA-N 2 0 204.314 0.319 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)C1([NH+](C)C)CC1 ZINC000643610887 383893705 /nfs/dbraw/zinc/89/37/05/383893705.db2.gz XTEPPXOHMGTGAN-UHFFFAOYSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH+]1CCC(C[NH2+]Cc2cncnc2)CC1 ZINC000054768156 383978735 /nfs/dbraw/zinc/97/87/35/383978735.db2.gz IEYDUNTWGKWYIK-UHFFFAOYSA-N 2 0 220.320 0.908 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H](C)C[NH3+] ZINC000449360912 383982458 /nfs/dbraw/zinc/98/24/58/383982458.db2.gz VXVNGSIOTWHBBP-BDAKNGLRSA-N 2 0 201.314 0.086 20 0 BCADRP CC(C)([NH3+])CCC(=O)NC1(C)CC[NH2+]CC1 ZINC000648126200 383984290 /nfs/dbraw/zinc/98/42/90/383984290.db2.gz CCMWAQOPKWGRSF-UHFFFAOYSA-N 2 0 227.352 0.762 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H](C)C1)[NH+](C)C ZINC000300055630 383972427 /nfs/dbraw/zinc/97/24/27/383972427.db2.gz JASZTQHZGCOSBE-GMTAPVOTSA-N 2 0 227.352 0.441 20 0 BCADRP Cc1n[nH]cc1C[NH2+]C[C@H]1CCCN1C ZINC000221143601 383976242 /nfs/dbraw/zinc/97/62/42/383976242.db2.gz QMCZDVHFYSHNAA-LLVKDONJSA-N 2 0 208.309 0.902 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237184613 383977812 /nfs/dbraw/zinc/97/78/12/383977812.db2.gz FOTSMPRDSNGABZ-TUAOUCFPSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186830271 384026796 /nfs/dbraw/zinc/02/67/96/384026796.db2.gz RUCUIRFNAMFXMQ-WDEREUQCSA-N 2 0 227.352 0.441 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000114076544 384023806 /nfs/dbraw/zinc/02/38/06/384023806.db2.gz AXBZLDICZJFNOH-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000449508314 384010107 /nfs/dbraw/zinc/01/01/07/384010107.db2.gz GRSQFHNENFEXSR-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]1OCC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000119918105 384013000 /nfs/dbraw/zinc/01/30/00/384013000.db2.gz HLIJVEXGELRHOF-OLZOCXBDSA-N 2 0 241.379 0.391 20 0 BCADRP Cc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc[nH+]1 ZINC000518564856 384015640 /nfs/dbraw/zinc/01/56/40/384015640.db2.gz YKQMKEPDYPSEEP-VXGBXAGGSA-N 2 0 246.314 0.138 20 0 BCADRP C[C@H]([NH3+])CNC(=O)c1c[nH+]ccc1N(C)C ZINC000648129319 384083327 /nfs/dbraw/zinc/08/33/27/384083327.db2.gz SCMLDGPIXXBAAE-QMMMGPOBSA-N 2 0 222.292 0.225 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000648129282 384080098 /nfs/dbraw/zinc/08/00/98/384080098.db2.gz RJDZOLFWTRSUDC-BXKDBHETSA-N 2 0 221.304 0.324 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000449381372 384099808 /nfs/dbraw/zinc/09/98/08/384099808.db2.gz RSWFMIDGLQJYMJ-VPOLOUISSA-N 2 0 225.336 0.051 20 0 BCADRP CC(=O)NCC[N@H+](C)CCCn1ccnc1C ZINC000560405061 384117971 /nfs/dbraw/zinc/11/79/71/384117971.db2.gz ZEMQGSRDOCGXTC-UHFFFAOYSA-N 2 0 238.335 0.650 20 0 BCADRP CN(C(=O)CCC[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000569482853 384106973 /nfs/dbraw/zinc/10/69/73/384106973.db2.gz ZCHDVWANCAPWPG-ZACCUICWSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000227826884 134390424 /nfs/dbraw/zinc/39/04/24/134390424.db2.gz SBQJEUOTRAGFJL-TUAOUCFPSA-N 2 0 228.336 0.210 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000449385567 384133548 /nfs/dbraw/zinc/13/35/48/384133548.db2.gz GCGWQBBSXIWLMZ-GHMZBOCLSA-N 2 0 241.379 0.736 20 0 BCADRP C[N@H+](C[C@@H](O)CNC[C@H]1CCC[NH+]1C)C1CC1 ZINC000310226251 384127821 /nfs/dbraw/zinc/12/78/21/384127821.db2.gz GVPFZPCPERZOSH-OLZOCXBDSA-N 2 0 241.379 0.125 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCc1nccn1C ZINC000070854800 384139634 /nfs/dbraw/zinc/13/96/34/384139634.db2.gz QCXKBDUYDKDODN-LLVKDONJSA-N 2 0 224.308 0.554 20 0 BCADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC2(CC[NH2+]C2)CC1 ZINC000648141362 384171759 /nfs/dbraw/zinc/17/17/59/384171759.db2.gz DJBPJEJTTFJWLN-GDNZZTSVSA-N 2 0 249.358 0.054 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000648138910 384163279 /nfs/dbraw/zinc/16/32/79/384163279.db2.gz CYCJGRXFAIDAJZ-VHSXEESVSA-N 2 0 246.314 0.176 20 0 BCADRP CC(C)([NH3+])CCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000648140609 384168710 /nfs/dbraw/zinc/16/87/10/384168710.db2.gz BSQOCRNYVCPDPS-IUCAKERBSA-N 2 0 231.315 0.320 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648139978 384169388 /nfs/dbraw/zinc/16/93/88/384169388.db2.gz WMOFRLMOXKJCJW-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000163232921 384184547 /nfs/dbraw/zinc/18/45/47/384184547.db2.gz WFMGPJIAHQXTBX-ZWNOBZJWSA-N 2 0 247.342 0.955 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000644164986 384243523 /nfs/dbraw/zinc/24/35/23/384243523.db2.gz VOUBMRFLQHOTRI-MRVPVSSYSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CC2(O)CCC2)CC[N@@H+]1C ZINC000133413646 384244156 /nfs/dbraw/zinc/24/41/56/384244156.db2.gz IVGVVPQKVCXQFA-GHMZBOCLSA-N 2 0 212.337 0.974 20 0 BCADRP Cn1nccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228538606 384277365 /nfs/dbraw/zinc/27/73/65/384277365.db2.gz AGTMVVWLCPGSMR-CYZMBNFOSA-N 2 0 234.347 0.979 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000336625838 384256816 /nfs/dbraw/zinc/25/68/16/384256816.db2.gz MQHBBEJTVWELEP-GHMZBOCLSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000228472470 384257214 /nfs/dbraw/zinc/25/72/14/384257214.db2.gz BMIGAZJTNRHFAK-YUSALJHKSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000569574460 384268247 /nfs/dbraw/zinc/26/82/47/384268247.db2.gz DMFCGNQPADVTIQ-GHMZBOCLSA-N 2 0 239.363 0.775 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000569573598 384271854 /nfs/dbraw/zinc/27/18/54/384271854.db2.gz XYWCMSBYMVPSLB-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]1CN(CC[N@@H+]2CC[C@](C)(C[NH3+])C2)CCO1 ZINC000564986618 384304983 /nfs/dbraw/zinc/30/49/83/384304983.db2.gz AKVOKEAXAJQPCE-QWHCGFSZSA-N 2 0 241.379 0.378 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000516925445 384309080 /nfs/dbraw/zinc/30/90/80/384309080.db2.gz REFMGVISOZUSAL-IEBDPFPHSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000168752862 384309813 /nfs/dbraw/zinc/30/98/13/384309813.db2.gz AJAIETYPBASZIS-VXGBXAGGSA-N 2 0 249.358 0.970 20 0 BCADRP C[C@]1(C(=O)N[C@@H](CC[NH3+])C(F)F)CCC[NH2+]C1 ZINC000569577149 384280967 /nfs/dbraw/zinc/28/09/67/384280967.db2.gz NLZBPIVHIDTZES-KWQFWETISA-N 2 0 249.305 0.475 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000228619726 384289516 /nfs/dbraw/zinc/28/95/16/384289516.db2.gz MPNKOCCDGXTYSA-BJDJZHNGSA-N 2 0 239.363 0.665 20 0 BCADRP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH2+]CC1 ZINC000223094857 384292167 /nfs/dbraw/zinc/29/21/67/384292167.db2.gz WUYBCLRWGWYGFI-WOPDTQHZSA-N 2 0 237.347 0.339 20 0 BCADRP COC[C@@H]([NH2+][C@H]1CCCNC1)C(C)C ZINC000083397989 384295950 /nfs/dbraw/zinc/29/59/50/384295950.db2.gz CXKSPUVQIQEAPO-WDEREUQCSA-N 2 0 200.326 0.999 20 0 BCADRP CN(C(=O)C1([NH3+])CC1)C1CC[NH+](C)CC1 ZINC000083833867 384335848 /nfs/dbraw/zinc/33/58/48/384335848.db2.gz BPHLMRVNXVZNKU-UHFFFAOYSA-N 2 0 211.309 0.030 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C1([NH3+])CC1 ZINC000083833932 384336371 /nfs/dbraw/zinc/33/63/71/384336371.db2.gz UPDBUKBQHGEESM-VIFPVBQESA-N 2 0 211.309 0.078 20 0 BCADRP [NH3+]CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000083884165 384341518 /nfs/dbraw/zinc/34/15/18/384341518.db2.gz CAEKXWHNFOSNQV-SNVBAGLBSA-N 2 0 211.309 0.032 20 0 BCADRP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000300396622 384369977 /nfs/dbraw/zinc/36/99/77/384369977.db2.gz GFPXIWWRYGCJON-UKKRHICBSA-N 2 0 232.393 0.816 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000248873034 384394575 /nfs/dbraw/zinc/39/45/75/384394575.db2.gz PMZSSKOGAWAEDK-YFKTTZPYSA-N 2 0 239.363 0.761 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C)C1 ZINC000175306833 384422836 /nfs/dbraw/zinc/42/28/36/384422836.db2.gz PJBXWIRHSWNLOZ-LBPRGKRZSA-N 2 0 241.379 0.738 20 0 BCADRP C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]C1)[C@H](C)[NH3+] ZINC000648145263 384446334 /nfs/dbraw/zinc/44/63/34/384446334.db2.gz WZEFFIRMCLDNEG-IQJOONFLSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000648145832 384448618 /nfs/dbraw/zinc/44/86/18/384448618.db2.gz NORHFPOOOSMSHU-ZETCQYMHSA-N 2 0 237.294 0.603 20 0 BCADRP Cn1nncc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000121998631 384450307 /nfs/dbraw/zinc/45/03/07/384450307.db2.gz CKMKHZHUZSIBRF-UHFFFAOYSA-N 2 0 237.351 0.637 20 0 BCADRP CC(C)C[C@@H](CNC(=O)C1([NH3+])CCC1)[NH+](C)C ZINC000148106891 384459917 /nfs/dbraw/zinc/45/99/17/384459917.db2.gz QTKZWVUGRWCOBK-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC[NH+](CC)CC ZINC000036871058 384460108 /nfs/dbraw/zinc/46/01/08/384460108.db2.gz JFYPQDGEFGMGOO-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)[NH3+] ZINC000037001288 384466316 /nfs/dbraw/zinc/46/63/16/384466316.db2.gz LXDJCPSHEJRFDS-VHSXEESVSA-N 2 0 215.341 0.426 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000334388407 384480887 /nfs/dbraw/zinc/48/08/87/384480887.db2.gz QNGNDPJJVSPBAW-VXGBXAGGSA-N 2 0 237.347 0.435 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000036871134 384458541 /nfs/dbraw/zinc/45/85/41/384458541.db2.gz ISHZIVULAGXKMC-VIFPVBQESA-N 2 0 215.341 0.428 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000249133984 384497564 /nfs/dbraw/zinc/49/75/64/384497564.db2.gz YKMNVTKAWBMLKZ-WOPDTQHZSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000037482594 384504482 /nfs/dbraw/zinc/50/44/82/384504482.db2.gz KAPNGEUVKSTQNH-LBPRGKRZSA-N 2 0 213.369 0.868 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251642700 384489402 /nfs/dbraw/zinc/48/94/02/384489402.db2.gz SEPUZIDVGRGBDW-DCAQKATOSA-N 2 0 225.336 0.467 20 0 BCADRP CN(C(=O)CCC(C)(C)[NH3+])C1CC([NH3+])C1 ZINC000648146634 384491976 /nfs/dbraw/zinc/49/19/76/384491976.db2.gz AYOUHNRNUWDQKQ-UHFFFAOYSA-N 2 0 213.325 0.452 20 0 BCADRP C[C@@H](C[NH2+][C@H]1CO[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000647180388 384535321 /nfs/dbraw/zinc/53/53/21/384535321.db2.gz VULIAPHYDGMCNP-YNEHKIRRSA-N 2 0 241.379 0.389 20 0 BCADRP C(C[C@@H]1CCOC1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400602315 384520981 /nfs/dbraw/zinc/52/09/81/384520981.db2.gz TWXJQQOYPMJJSN-AGIUHOORSA-N 2 0 224.348 0.954 20 0 BCADRP CCNC(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397343494 384533699 /nfs/dbraw/zinc/53/36/99/384533699.db2.gz WVNGFJPWJUQAJQ-AXFHLTTASA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)[NH+]1CCC(N(C)C(=O)C[NH3+])CC1 ZINC000037804598 384533924 /nfs/dbraw/zinc/53/39/24/384533924.db2.gz REIUPDRWUIUZKL-UHFFFAOYSA-N 2 0 213.325 0.276 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000236649878 384541881 /nfs/dbraw/zinc/54/18/81/384541881.db2.gz FGCQMWJJAUSJAV-GFCCVEGCSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000647522916 384548381 /nfs/dbraw/zinc/54/83/81/384548381.db2.gz WLRKTRDABJKIEZ-NWDGAFQWSA-N 2 0 230.352 0.194 20 0 BCADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000354406199 384549806 /nfs/dbraw/zinc/54/98/06/384549806.db2.gz JTPULUJFMYVBIX-RYUDHWBXSA-N 2 0 242.363 0.458 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000236717338 384558895 /nfs/dbraw/zinc/55/88/95/384558895.db2.gz FZKVEFNSERDCMN-DCAQKATOSA-N 2 0 227.352 0.556 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1CC[NH2+]C1 ZINC000236693572 384561196 /nfs/dbraw/zinc/56/11/96/384561196.db2.gz PVHVJSAQUQNZMD-ZYHUDNBSSA-N 2 0 227.352 0.476 20 0 BCADRP OCCC[N@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000643057895 384562485 /nfs/dbraw/zinc/56/24/85/384562485.db2.gz XDDMMYADGTUWMX-LLVKDONJSA-N 2 0 212.337 0.833 20 0 BCADRP CC[C@]1(C(=O)NCC2=CC[NH2+]CC2)CCC[NH2+]1 ZINC000186382390 134418554 /nfs/dbraw/zinc/41/85/54/134418554.db2.gz QVJRCMDXOZUGBD-CYBMUJFWSA-N 2 0 237.347 0.555 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc(C[NH3+])o1 ZINC000648177225 384541163 /nfs/dbraw/zinc/54/11/63/384541163.db2.gz NOMKWYLFIRUYKA-JTQLQIEISA-N 2 0 239.319 0.842 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000309737970 384569998 /nfs/dbraw/zinc/56/99/98/384569998.db2.gz GXHYFNFPQWRXDL-GMTAPVOTSA-N 2 0 227.352 0.713 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000236842911 384590350 /nfs/dbraw/zinc/59/03/50/384590350.db2.gz XZFBUFPKESXZCB-LBPRGKRZSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000517940973 384590393 /nfs/dbraw/zinc/59/03/93/384590393.db2.gz HQWPLPKUGJOASK-DJLDLDEBSA-N 2 0 201.314 0.084 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000236780638 384579379 /nfs/dbraw/zinc/57/93/79/384579379.db2.gz WODLEYTUKVXNSW-UTUOFQBUSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[C@@H]1C[NH3+] ZINC000648177805 384590731 /nfs/dbraw/zinc/59/07/31/384590731.db2.gz UVZLAVITPOJKOQ-ZIQFBCGOSA-N 2 0 237.347 0.180 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC ZINC000151330134 384564544 /nfs/dbraw/zinc/56/45/44/384564544.db2.gz FKBQYYJKFPSIOP-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000309786999 384609751 /nfs/dbraw/zinc/60/97/51/384609751.db2.gz OIYXQJZKXPUITQ-GUBZILKMSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C[NH3+] ZINC000643079578 384620150 /nfs/dbraw/zinc/62/01/50/384620150.db2.gz IQTXGGXZOXQELM-WCQYABFASA-N 2 0 249.358 0.802 20 0 BCADRP NCc1nc(C(=O)NCC[NH2+]C2CC2)cs1 ZINC000178796398 384591324 /nfs/dbraw/zinc/59/13/24/384591324.db2.gz CRBVOSMNGSSYQG-UHFFFAOYSA-N 2 0 240.332 0.084 20 0 BCADRP C[NH2+][C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000517961953 384595921 /nfs/dbraw/zinc/59/59/21/384595921.db2.gz UYVDQFWRUZJLOF-KGYLQXTDSA-N 2 0 247.342 0.466 20 0 BCADRP COC[C@@H](C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000045695882 384666209 /nfs/dbraw/zinc/66/62/09/384666209.db2.gz WDKAXNKSKSYPSD-NWDGAFQWSA-N 2 0 230.352 0.315 20 0 BCADRP c1ncn([C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000647538318 384666704 /nfs/dbraw/zinc/66/67/04/384666704.db2.gz MXBRSVYATVUGGC-LBPRGKRZSA-N 2 0 235.335 0.525 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)NC[C@H]1CCCC[NH2+]1 ZINC000258705756 384634420 /nfs/dbraw/zinc/63/44/20/384634420.db2.gz UVJALTRONOGWOF-MNOVXSKESA-N 2 0 240.351 0.180 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]1)NC[C@@H]1CCCC[NH2+]1 ZINC000258705800 384636190 /nfs/dbraw/zinc/63/61/90/384636190.db2.gz UVJALTRONOGWOF-WDEREUQCSA-N 2 0 240.351 0.180 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCCC[NH3+] ZINC000309820145 384641434 /nfs/dbraw/zinc/64/14/34/384641434.db2.gz WBZAEFNITVDTKM-KOLCDFICSA-N 2 0 213.325 0.359 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647534774 384646675 /nfs/dbraw/zinc/64/66/75/384646675.db2.gz VWAOXUKJEZUUMG-FRRDWIJNSA-N 2 0 223.364 0.670 20 0 BCADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[NH+](C)C ZINC000309838158 384656169 /nfs/dbraw/zinc/65/61/69/384656169.db2.gz BXBHFPWGPRHKPT-NSHDSACASA-N 2 0 229.368 0.831 20 0 BCADRP CC(C)([NH3+])CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000647544944 384723731 /nfs/dbraw/zinc/72/37/31/384723731.db2.gz CORVWABYUJZAAX-NEPJUHHUSA-N 2 0 241.379 0.552 20 0 BCADRP CC[N@H+](CCCO)CC1CC[NH2+]CC1 ZINC000086703162 384677755 /nfs/dbraw/zinc/67/77/55/384677755.db2.gz AHFVZFRVNKYXAD-UHFFFAOYSA-N 2 0 200.326 0.690 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)c1ccccc1CC[NH3+] ZINC000569349684 384678697 /nfs/dbraw/zinc/67/86/97/384678697.db2.gz FJVVCSJQEYMIFO-LLVKDONJSA-N 2 0 249.358 0.916 20 0 BCADRP CCC[N@H+](CCO)CC1CC[NH2+]CC1 ZINC000086703349 384679352 /nfs/dbraw/zinc/67/93/52/384679352.db2.gz SKTVEPSJBWSGNN-UHFFFAOYSA-N 2 0 200.326 0.690 20 0 BCADRP C[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000101601148 384682348 /nfs/dbraw/zinc/68/23/48/384682348.db2.gz IOZAKVVUHSCGGL-ZRUFSTJUSA-N 2 0 200.326 0.686 20 0 BCADRP COC(=O)CCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000082474932 384685406 /nfs/dbraw/zinc/68/54/06/384685406.db2.gz DAFVJLKLUCTLRT-JTQLQIEISA-N 2 0 228.336 0.999 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449604194 384688822 /nfs/dbraw/zinc/68/88/22/384688822.db2.gz SOTFTZWSUHUCGQ-BDAKNGLRSA-N 2 0 201.314 0.180 20 0 BCADRP O=C(NCC1C[NH2+]C1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000646901911 384700022 /nfs/dbraw/zinc/70/00/22/384700022.db2.gz TYYIPAZBCBLWEN-ZDUSSCGKSA-N 2 0 245.326 0.209 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000335918575 384700042 /nfs/dbraw/zinc/70/00/42/384700042.db2.gz BMJOMRWKBBTKAI-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP O=C(NCC1C[NH2+]C1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000646901909 384700360 /nfs/dbraw/zinc/70/03/60/384700360.db2.gz TYYIPAZBCBLWEN-CYBMUJFWSA-N 2 0 245.326 0.209 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH2+]C1 ZINC000646901972 384712733 /nfs/dbraw/zinc/71/27/33/384712733.db2.gz WFMLEVHKTLCEHW-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H](C(=O)NCC1C[NH2+]C1)[C@@H]([NH3+])c1ccccc1 ZINC000646901964 384713249 /nfs/dbraw/zinc/71/32/49/384713249.db2.gz WBOJQCKYVUIKDC-GXFFZTMASA-N 2 0 247.342 0.658 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000449611556 384719452 /nfs/dbraw/zinc/71/94/52/384719452.db2.gz WGKZUPKWWGBACU-YIZRAAEISA-N 2 0 201.314 0.213 20 0 BCADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[NH3+] ZINC000086932090 384721240 /nfs/dbraw/zinc/72/12/40/384721240.db2.gz NAUBAUIABXHOLK-VHSXEESVSA-N 2 0 211.309 0.030 20 0 BCADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(C)C[NH2+]C1 ZINC000335037455 384780915 /nfs/dbraw/zinc/78/09/15/384780915.db2.gz IBDJMHLHEWONKD-WDEREUQCSA-N 2 0 237.347 0.291 20 0 BCADRP C1[NH2+]C[C@H]2C[C@H]([NH2+]C3CC[NH2+]CC3)CC[C@H]12 ZINC000647546403 384730673 /nfs/dbraw/zinc/73/06/73/384730673.db2.gz IUAYSMIJXGCGLM-NQBHXWOUSA-N 3 0 223.364 0.716 20 0 BCADRP C1[NH2+]C[C@H]2C[C@H]([NH2+]C3CC[NH2+]CC3)CC[C@@H]12 ZINC000647546401 384731510 /nfs/dbraw/zinc/73/15/10/384731510.db2.gz IUAYSMIJXGCGLM-DMDPSCGWSA-N 3 0 223.364 0.716 20 0 BCADRP NCC(F)(F)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546934 384733209 /nfs/dbraw/zinc/73/32/09/384733209.db2.gz HSYGLADDCXFRBI-KXUCPTDWSA-N 2 0 233.306 0.558 20 0 BCADRP C[C@H](CC[NH3+])[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546909 384733643 /nfs/dbraw/zinc/73/36/43/384733643.db2.gz GZTDDHPGCWPBMJ-NOOOWODRSA-N 3 0 211.353 0.701 20 0 BCADRP CN1CCC([NH2+]CC2=CC[N@H+](C)CC2)CC1 ZINC000309942839 384734062 /nfs/dbraw/zinc/73/40/62/384734062.db2.gz CGIPLLQXIYUTAJ-UHFFFAOYSA-N 2 0 223.364 0.932 20 0 BCADRP CC(C)([NH3+])C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546688 384734540 /nfs/dbraw/zinc/73/45/40/384734540.db2.gz VWSUORALJTVHJC-GMTAPVOTSA-N 3 0 211.353 0.701 20 0 BCADRP Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1=O ZINC000643895033 384737595 /nfs/dbraw/zinc/73/75/95/384737595.db2.gz BHNOYEFKJOLIJP-VXGBXAGGSA-N 2 0 235.331 0.745 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000647547187 384737749 /nfs/dbraw/zinc/73/77/49/384737749.db2.gz QEHKQZYMGZCYFP-TUAOUCFPSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000647547125 384737878 /nfs/dbraw/zinc/73/78/78/384737878.db2.gz OHRLHLDDSJWGNA-WHOHXGKFSA-N 2 0 211.353 0.844 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648186057 384738898 /nfs/dbraw/zinc/73/88/98/384738898.db2.gz MXJHGJNVCYFHLL-KXNHARMFSA-N 2 0 249.358 0.528 20 0 BCADRP COCCNCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647547447 384739322 /nfs/dbraw/zinc/73/93/22/384739322.db2.gz WYHKKXCTJCLIRL-RWMBFGLXSA-N 2 0 241.379 0.200 20 0 BCADRP COCCNCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647547445 384739351 /nfs/dbraw/zinc/73/93/51/384739351.db2.gz WYHKKXCTJCLIRL-FRRDWIJNSA-N 2 0 241.379 0.200 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC[N@H+](C)CC1)[C@@H](C)[NH3+] ZINC000335495752 384745785 /nfs/dbraw/zinc/74/57/85/384745785.db2.gz LPASZWRVVVUOIF-NEPJUHHUSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@@H]1CNC[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000647548079 384749595 /nfs/dbraw/zinc/74/95/95/384749595.db2.gz USRXDWRQKSGOIO-WHOHXGKFSA-N 2 0 211.353 0.701 20 0 BCADRP CC(C)([NH3+])CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000647548020 384749671 /nfs/dbraw/zinc/74/96/71/384749671.db2.gz RIHFVFKMKVZUPT-SNVBAGLBSA-N 2 0 211.353 0.988 20 0 BCADRP F[C@@H]1CN[C@H](C[NH2+]CC2CC[NH2+]CC2)C1 ZINC000647547936 384750181 /nfs/dbraw/zinc/75/01/81/384750181.db2.gz MARQFORXPGZGJW-QWRGUYRKSA-N 2 0 215.316 0.276 20 0 BCADRP C1[C@@H]([NH2+][C@@H]2CCCNC2)C12CC[NH2+]CC2 ZINC000647547873 384750191 /nfs/dbraw/zinc/75/01/91/384750191.db2.gz JURPRBZPELXCIE-GHMZBOCLSA-N 2 0 209.337 0.470 20 0 BCADRP CN(C(=O)[C@@H]1[NH2+]CC1(C)C)C1CC[NH2+]CC1 ZINC000647673242 384751257 /nfs/dbraw/zinc/75/12/57/384751257.db2.gz GCRYHASRCQPEFW-JTQLQIEISA-N 2 0 225.336 0.195 20 0 BCADRP C[NH+](C)CCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042165695 384751761 /nfs/dbraw/zinc/75/17/61/384751761.db2.gz ZJSJMGDGTLSJFK-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052881214 384752233 /nfs/dbraw/zinc/75/22/33/384752233.db2.gz QROIWQXQOXTOGA-CQSZACIVSA-N 2 0 249.358 0.928 20 0 BCADRP [NH3+]CCCN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000107213590 384780260 /nfs/dbraw/zinc/78/02/60/384780260.db2.gz PTKLDVKOFGRJND-GFCCVEGCSA-N 2 0 211.353 0.895 20 0 BCADRP C[C@@H]([NH3+])CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000107213665 384780402 /nfs/dbraw/zinc/78/04/02/384780402.db2.gz VIWAFOMDUAICHC-VXGBXAGGSA-N 2 0 211.353 0.894 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000051694795 384768942 /nfs/dbraw/zinc/76/89/42/384768942.db2.gz PUEQJPDBAHVGLV-UDNWOFFPSA-N 2 0 213.325 0.356 20 0 BCADRP CC1(C)C(=O)NCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000335658176 384817217 /nfs/dbraw/zinc/81/72/17/384817217.db2.gz XJYZVMGMOJYDJV-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000054133254 384822395 /nfs/dbraw/zinc/82/23/95/384822395.db2.gz XWWAGQDIZFJTRI-CQSZACIVSA-N 2 0 249.358 0.928 20 0 BCADRP CC[N@H+](C)CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000054110867 384822752 /nfs/dbraw/zinc/82/27/52/384822752.db2.gz NMLQAYUYIIKJMW-UHFFFAOYSA-N 2 0 235.331 0.827 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000648202452 384825725 /nfs/dbraw/zinc/82/57/25/384825725.db2.gz SUYCHILJNJXUEM-LBPRGKRZSA-N 2 0 247.342 0.760 20 0 BCADRP C[NH2+]CCNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449098601 384782000 /nfs/dbraw/zinc/78/20/00/384782000.db2.gz KBOWJQPMEUBMIO-CQSZACIVSA-N 2 0 247.342 0.253 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000518188260 384782307 /nfs/dbraw/zinc/78/23/07/384782307.db2.gz LQOQSUQYCHQVDQ-RNJXMRFFSA-N 2 0 235.278 0.178 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000581142068 384795864 /nfs/dbraw/zinc/79/58/64/384795864.db2.gz IVBGXORDWONHGT-ONGXEEELSA-N 2 0 221.304 0.411 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CC(C)(C)[NH3+] ZINC000648188069 384799574 /nfs/dbraw/zinc/79/95/74/384799574.db2.gz QFZXLKPTJSNFPZ-JGVFFNPUSA-N 2 0 201.314 0.356 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(C[NH3+])o1 ZINC000648188152 384799871 /nfs/dbraw/zinc/79/98/71/384799871.db2.gz UTHPAYXISQAZCT-JGVFFNPUSA-N 2 0 225.292 0.594 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000648188095 384799985 /nfs/dbraw/zinc/79/99/85/384799985.db2.gz RIEIBJIRPLORJI-XHNCKOQMSA-N 2 0 215.341 0.602 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CCC(C)(C)[NH3+] ZINC000648187870 384800720 /nfs/dbraw/zinc/80/07/20/384800720.db2.gz AFHGLMLJHZAYGV-IUCAKERBSA-N 2 0 215.341 0.746 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(C[NH3+])o1 ZINC000648188154 384800991 /nfs/dbraw/zinc/80/09/91/384800991.db2.gz UTHPAYXISQAZCT-YUMQZZPRSA-N 2 0 225.292 0.594 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CC1([NH3+])CCC1 ZINC000648188184 384801269 /nfs/dbraw/zinc/80/12/69/384801269.db2.gz XIXHHLRUKAXTMC-IUCAKERBSA-N 2 0 213.325 0.500 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000648190265 384802603 /nfs/dbraw/zinc/80/26/03/384802603.db2.gz LLPLFGJQJHDHEF-AEJSXWLSSA-N 2 0 213.325 0.228 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)CCC[NH3+])C1 ZINC000236902390 384808552 /nfs/dbraw/zinc/80/85/52/384808552.db2.gz APDMDWXZJOQRGH-GFCCVEGCSA-N 2 0 241.379 0.916 20 0 BCADRP CN1CC[N@H+](CC[C@H]2CC[NH2+]C2)C(C)(C)C1=O ZINC000335655148 384809608 /nfs/dbraw/zinc/80/96/08/384809608.db2.gz ADJQBHDWCIPOPE-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]([NH3+])C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000335480632 384813636 /nfs/dbraw/zinc/81/36/36/384813636.db2.gz RERHAMKZFGLFKB-WHXUTIOJSA-N 2 0 225.336 0.467 20 0 BCADRP CCN(CCO)CC[NH2+]C[C@@H]1C[C@@H]1C ZINC000308626048 384876698 /nfs/dbraw/zinc/87/66/98/384876698.db2.gz WINFHVFBQNTGQD-QWRGUYRKSA-N 2 0 200.326 0.546 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000646903795 384883263 /nfs/dbraw/zinc/88/32/63/384883263.db2.gz WFFJXLXNZWXLTK-WDEREUQCSA-N 2 0 225.336 0.324 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000648162444 384890111 /nfs/dbraw/zinc/89/01/11/384890111.db2.gz HPOTUBQRBBOIOE-DYEKYZERSA-N 2 0 249.358 0.339 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC1=CC[NH2+]CC1 ZINC000186365158 384839731 /nfs/dbraw/zinc/83/97/31/384839731.db2.gz OXUTYRKCJBGNGA-UHFFFAOYSA-N 2 0 225.336 0.363 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@H]1CCC[NH2+]1 ZINC000648206262 384840826 /nfs/dbraw/zinc/84/08/26/384840826.db2.gz YBCIJLSFKWDBLZ-GHMZBOCLSA-N 2 0 237.347 0.529 20 0 BCADRP C[N@H+](C[C@@H](O)CN1CCC[C@H](CO)C1)C1CC1 ZINC000310135326 384849565 /nfs/dbraw/zinc/84/95/65/384849565.db2.gz ZDXBHLBLMRYKGX-WCQYABFASA-N 2 0 242.363 0.146 20 0 BCADRP C[NH+](C)C[C@H]1CN(C(=O)C[NH3+])c2ccccc2O1 ZINC000370781513 384850658 /nfs/dbraw/zinc/85/06/58/384850658.db2.gz ZGDQKLIUTUNTNY-JTQLQIEISA-N 2 0 249.314 0.301 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000568628865 384949710 /nfs/dbraw/zinc/94/97/10/384949710.db2.gz HJLUGTLUHWSANP-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP C[N@H+](C[C@@H](O)CN[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000644548010 384951146 /nfs/dbraw/zinc/95/11/46/384951146.db2.gz KIQWOZGGVRVEMF-AAEUAGOBSA-N 2 0 241.379 0.125 20 0 BCADRP CC(C)CCC[NH2+]C[C@@H]1CNCCN1C ZINC000258936569 384951748 /nfs/dbraw/zinc/95/17/48/384951748.db2.gz PEEAMTGUZJNCSE-GFCCVEGCSA-N 2 0 213.369 0.916 20 0 BCADRP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)C(C)C ZINC000101952308 384900511 /nfs/dbraw/zinc/90/05/11/384900511.db2.gz TWLHDVIQYLTODZ-UHFFFAOYSA-N 2 0 229.368 0.783 20 0 BCADRP C[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[C@H](C)[NH3+] ZINC000156599625 384904976 /nfs/dbraw/zinc/90/49/76/384904976.db2.gz KKFZBKHDHSBDCG-GRYCIOLGSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000156621092 384913028 /nfs/dbraw/zinc/91/30/28/384913028.db2.gz XVVOMLXIFLVAMB-GHMZBOCLSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000156668167 384917977 /nfs/dbraw/zinc/91/79/77/384917977.db2.gz GEHISKYCWYFVMK-QWRGUYRKSA-N 2 0 241.379 0.770 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000257362114 384923507 /nfs/dbraw/zinc/92/35/07/384923507.db2.gz AEXFFJPCAWSWDI-LNFKQOIKSA-N 2 0 223.320 0.077 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000257362764 384926021 /nfs/dbraw/zinc/92/60/21/384926021.db2.gz JHLMIUIGKMKTRJ-GRYCIOLGSA-N 2 0 237.347 0.420 20 0 BCADRP CC(C)[C@H]1CNCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000257773220 384928189 /nfs/dbraw/zinc/92/81/89/384928189.db2.gz DSKSEXCKEKXRMT-CHWSQXEVSA-N 2 0 225.380 0.916 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH3+] ZINC000368115782 384939600 /nfs/dbraw/zinc/93/96/00/384939600.db2.gz QQSYPDJNKWCHBJ-UWVGGRQHSA-N 2 0 213.325 0.086 20 0 BCADRP COC(=O)CCC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000300826258 384967463 /nfs/dbraw/zinc/96/74/63/384967463.db2.gz JNLIWWYRJXFQIQ-SNVBAGLBSA-N 2 0 228.336 0.917 20 0 BCADRP CC(C)[C@H](C[NH2+]C[C@@H](C)O)N1CC[NH+](C)CC1 ZINC000644563493 384968602 /nfs/dbraw/zinc/96/86/02/384968602.db2.gz RUSCEBYYUWKQIL-OLZOCXBDSA-N 2 0 243.395 0.229 20 0 BCADRP CCOCC[C@@H](O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000644562964 384970093 /nfs/dbraw/zinc/97/00/93/384970093.db2.gz IVULYHMEFHYINJ-VXGBXAGGSA-N 2 0 232.368 0.704 20 0 BCADRP CCOCC[C@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000644562962 384970593 /nfs/dbraw/zinc/97/05/93/384970593.db2.gz IVULYHMEFHYINJ-RYUDHWBXSA-N 2 0 232.368 0.704 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[NH+]1CCCC1 ZINC000165115445 384981506 /nfs/dbraw/zinc/98/15/06/384981506.db2.gz QHTKOHBVHIBYCU-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH+](C)CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000647617618 384983065 /nfs/dbraw/zinc/98/30/65/384983065.db2.gz YUAAWTAUSAJMEH-NXEZZACHSA-N 2 0 213.325 0.147 20 0 BCADRP C[C@H]([NH3+])C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000164419936 384984521 /nfs/dbraw/zinc/98/45/21/384984521.db2.gz QENFSGVWDKJSNB-JTQLQIEISA-N 2 0 235.331 0.712 20 0 BCADRP C[NH+](C)CC[C@@H](NC(=O)C[NH3+])C(C)(C)C ZINC000236982534 384999503 /nfs/dbraw/zinc/99/95/03/384999503.db2.gz UFFULHQXGUOSTM-SECBINFHSA-N 2 0 215.341 0.428 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000648148531 385001778 /nfs/dbraw/zinc/00/17/78/385001778.db2.gz NMUVAYNPRDJVPK-UWVGGRQHSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000518373033 385002748 /nfs/dbraw/zinc/00/27/48/385002748.db2.gz MKMNZDBXTCBXAO-CMPLNLGQSA-N 2 0 235.331 0.410 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)[N@H+](C)C1CC1 ZINC000226398694 385008878 /nfs/dbraw/zinc/00/88/78/385008878.db2.gz NXFLQGNHFNVOAH-PWSUYJOCSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1C[C@H](CN2CC[NH2+]C[C@H]2C(F)F)CC[NH2+]1 ZINC000516650339 385010420 /nfs/dbraw/zinc/01/04/20/385010420.db2.gz KJHGXPIDFSTOEI-MXWKQRLJSA-N 2 0 247.333 0.913 20 0 BCADRP C[N@H+](CCCCC1CCOCC1)C[C@@H](O)C[NH3+] ZINC000310364764 385010631 /nfs/dbraw/zinc/01/06/31/385010631.db2.gz VRDODSGQJRAACX-ZDUSSCGKSA-N 2 0 244.379 0.835 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC000310363680 385012082 /nfs/dbraw/zinc/01/20/82/385012082.db2.gz LGMPKWCCEPWJQM-VIFPVBQESA-N 2 0 249.305 0.427 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484945 385054636 /nfs/dbraw/zinc/05/46/36/385054636.db2.gz IIDFUFANGWLBQH-CMPLNLGQSA-N 2 0 227.352 0.572 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000449723722 385060158 /nfs/dbraw/zinc/06/01/58/385060158.db2.gz LZPVEIJGMYGWSA-BDAKNGLRSA-N 2 0 234.303 0.351 20 0 BCADRP C[C@@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000644667081 385084233 /nfs/dbraw/zinc/08/42/33/385084233.db2.gz NPLVFRARNCNMJY-SECBINFHSA-N 2 0 205.261 0.805 20 0 BCADRP [NH3+]C1(C(=O)NCC2CC[NH2+]CC2)CCCC1 ZINC000647640325 385066459 /nfs/dbraw/zinc/06/64/59/385066459.db2.gz ADLPBAFFDDVNIS-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000646915444 385068716 /nfs/dbraw/zinc/06/87/16/385068716.db2.gz RZUHYGPIBHXFRZ-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000359224725 385073860 /nfs/dbraw/zinc/07/38/60/385073860.db2.gz FPYRTWPGYQVEOG-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000646930741 385074798 /nfs/dbraw/zinc/07/47/98/385074798.db2.gz MPNUEIZVUMPPKE-RYUDHWBXSA-N 2 0 239.363 0.489 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000646931295 385074927 /nfs/dbraw/zinc/07/49/27/385074927.db2.gz ZXTORLXLPOOHKL-NWDGAFQWSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@H](N[C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)N(C)C ZINC000404800934 385075674 /nfs/dbraw/zinc/07/56/74/385075674.db2.gz ACIOGNVRLVMBGF-XHNCKOQMSA-N 2 0 213.325 0.179 20 0 BCADRP C[C@@]1(C(=O)N[C@H]2CCC[NH2+]CC2)CCCC[NH2+]1 ZINC000364162860 385078834 /nfs/dbraw/zinc/07/88/34/385078834.db2.gz VGUYDSHWTSAETN-AAEUAGOBSA-N 2 0 239.363 0.777 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000332078771 385080113 /nfs/dbraw/zinc/08/01/13/385080113.db2.gz YDXBKDWFZTTWBT-UTLUCORTSA-N 2 0 200.326 0.863 20 0 BCADRP CC[C@@H](O)C[NH2+][C@@H](C)C1=CC[N@H+](C)CC1 ZINC000644619185 385027042 /nfs/dbraw/zinc/02/70/42/385027042.db2.gz WTEWEVHOTQBGRR-CMPLNLGQSA-N 2 0 212.337 0.997 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000423593186 385035430 /nfs/dbraw/zinc/03/54/30/385035430.db2.gz MLQNHNKTRQNJFD-QCNOEVLYSA-N 2 0 241.379 0.992 20 0 BCADRP CC[C@@H](O)C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000644632226 385045486 /nfs/dbraw/zinc/04/54/86/385045486.db2.gz DBOBDKKDWXQMTN-CHWSQXEVSA-N 2 0 244.379 0.848 20 0 BCADRP CC[C@@H]1CN(C(=O)CC2(C[NH3+])CC2)CC[C@H]1[NH3+] ZINC000647005963 385141568 /nfs/dbraw/zinc/14/15/68/385141568.db2.gz IPTWFIXPRYLSMZ-GHMZBOCLSA-N 2 0 239.363 0.701 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCC[NH2+]1 ZINC000157211418 385114172 /nfs/dbraw/zinc/11/41/72/385114172.db2.gz SZHOSNJOPBWCLC-UTUOFQBUSA-N 2 0 237.347 0.481 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646987059 385114246 /nfs/dbraw/zinc/11/42/46/385114246.db2.gz DSUUJPJRDGZBCP-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP [NH3+]C1(CC(=O)N[C@@H]2CCC[NH2+]CC2)CCC1 ZINC000646988647 385119740 /nfs/dbraw/zinc/11/97/40/385119740.db2.gz WFCVDKFNBUHMMW-SNVBAGLBSA-N 2 0 225.336 0.516 20 0 BCADRP CC1([NH3+])CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000646993175 385120664 /nfs/dbraw/zinc/12/06/64/385120664.db2.gz KXZXFLXNCWZRHW-SNVBAGLBSA-N 2 0 225.336 0.454 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(C)([NH3+])CC1 ZINC000646993891 385123488 /nfs/dbraw/zinc/12/34/88/385123488.db2.gz NCRJJXAGPZJVKX-UWVGGRQHSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC000646991446 385126727 /nfs/dbraw/zinc/12/67/27/385126727.db2.gz AIIMCUOLNHNLKB-VHSXEESVSA-N 2 0 225.336 0.324 20 0 BCADRP CC1([NH3+])CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000646991472 385126855 /nfs/dbraw/zinc/12/68/55/385126855.db2.gz BFPKPIJYRCUHSD-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000646998032 385128283 /nfs/dbraw/zinc/12/82/83/385128283.db2.gz DHKZVYNBNZOBGI-ZJUUUORDSA-N 2 0 225.336 0.644 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC000646998090 385128386 /nfs/dbraw/zinc/12/83/86/385128386.db2.gz IQDBIUXNLVCKHI-WDEREUQCSA-N 2 0 248.330 0.540 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000646998045 385129083 /nfs/dbraw/zinc/12/90/83/385129083.db2.gz DWULSIDMQARNRE-FOGDFJRCSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000646998111 385130767 /nfs/dbraw/zinc/13/07/67/385130767.db2.gz OXRSYXNQBCYYFP-IJLUTSLNSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000646998207 385130860 /nfs/dbraw/zinc/13/08/60/385130860.db2.gz WJYVFSMUPPPGPN-MPPDQPJWSA-N 2 0 237.347 0.372 20 0 BCADRP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH3+] ZINC000647009791 385135033 /nfs/dbraw/zinc/13/50/33/385135033.db2.gz IYRRTQRTTOUAAZ-VXGBXAGGSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000647001746 385136730 /nfs/dbraw/zinc/13/67/30/385136730.db2.gz UPZHEKNMAPJAMQ-GMTAPVOTSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449747347 385137184 /nfs/dbraw/zinc/13/71/84/385137184.db2.gz IXAMBANNOFQVFK-WYUUTHIRSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC1([NH3+])CCC1 ZINC000647001659 385137576 /nfs/dbraw/zinc/13/75/76/385137576.db2.gz ICVIQESZIDKVNP-ZJUUUORDSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000647001364 385137715 /nfs/dbraw/zinc/13/77/15/385137715.db2.gz ACTGEQGJINVTAA-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP COCCOCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404887987 385137852 /nfs/dbraw/zinc/13/78/52/385137852.db2.gz JRULVOSNHZZWDG-NXEZZACHSA-N 2 0 216.325 0.365 20 0 BCADRP CC[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000647015052 385139942 /nfs/dbraw/zinc/13/99/42/385139942.db2.gz GIHQROAUJUGOMJ-QJPTWQEYSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H](C)[C@H](C)[NH3+])CC[C@H]1[NH3+] ZINC000647015247 385140357 /nfs/dbraw/zinc/14/03/57/385140357.db2.gz LDCWXVAFNMMSAM-LMLFDSFASA-N 2 0 227.352 0.556 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000646961030 385088393 /nfs/dbraw/zinc/08/83/93/385088393.db2.gz PUANHMLVGLYCMX-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000646965995 385091360 /nfs/dbraw/zinc/09/13/60/385091360.db2.gz QZADYSRTUYDFGA-ZYHUDNBSSA-N 2 0 227.352 0.620 20 0 BCADRP COC[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)OC ZINC000404842988 385103602 /nfs/dbraw/zinc/10/36/02/385103602.db2.gz CHRCPQRULVJOPB-IVZWLZJFSA-N 2 0 216.325 0.363 20 0 BCADRP CC[C@H]1CN(C(=O)CC2(C[NH3+])CC2)CC[C@@H]1[NH3+] ZINC000647005965 385141168 /nfs/dbraw/zinc/14/11/68/385141168.db2.gz IPTWFIXPRYLSMZ-QWRGUYRKSA-N 2 0 239.363 0.701 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)CC[C@H]1[NH3+] ZINC000647015237 385141298 /nfs/dbraw/zinc/14/12/98/385141298.db2.gz KYFOKAYIYYQMOU-DDHJBXDOSA-N 2 0 239.363 0.570 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)NCC1=CC[NH2+]CC1 ZINC000646976785 385106083 /nfs/dbraw/zinc/10/60/83/385106083.db2.gz NYGWZZWGUHYTPK-LBPRGKRZSA-N 2 0 237.347 0.555 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000647051322 385186146 /nfs/dbraw/zinc/18/61/46/385186146.db2.gz OEEFPFOAXSGSOE-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647051089 385187290 /nfs/dbraw/zinc/18/72/90/385187290.db2.gz ZBVRAWCCEDBXIW-GARJFASQSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)c1ccc(C[NH3+])o1 ZINC000647051350 385187373 /nfs/dbraw/zinc/18/73/73/385187373.db2.gz SPLSFNXRUCBPRI-VIFPVBQESA-N 2 0 239.319 0.986 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647054857 385192537 /nfs/dbraw/zinc/19/25/37/385192537.db2.gz ARCHLUQGBIUAMX-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](Cn1ccnc1)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062891437 385197011 /nfs/dbraw/zinc/19/70/11/385197011.db2.gz OWMDDPWFIOMYIH-PWSUYJOCSA-N 2 0 236.319 0.387 20 0 BCADRP CC[C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@@H]1[NH3+] ZINC000647012651 385145175 /nfs/dbraw/zinc/14/51/75/385145175.db2.gz YARQDZLOTULLDC-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP CC[C@H]1CN(C(=O)C(C)(C)C[NH3+])CC[C@@H]1[NH3+] ZINC000647014795 385146137 /nfs/dbraw/zinc/14/61/37/385146137.db2.gz CGKBNNRKENCEMS-UWVGGRQHSA-N 2 0 227.352 0.557 20 0 BCADRP CC[C@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1[NH3+] ZINC000647012652 385146407 /nfs/dbraw/zinc/14/64/07/385146407.db2.gz YARQDZLOTULLDC-NWDGAFQWSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000647021806 385153714 /nfs/dbraw/zinc/15/37/14/385153714.db2.gz FJRGCZIKSNRKKI-SNVBAGLBSA-N 2 0 235.331 0.825 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000647022759 385155288 /nfs/dbraw/zinc/15/52/88/385155288.db2.gz DUJRJFCODSDYKX-MWLCHTKSSA-N 2 0 221.304 0.540 20 0 BCADRP [NH3+]CCCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479896 385155493 /nfs/dbraw/zinc/15/54/93/385155493.db2.gz XWDFMLIJJBCNGA-NEPJUHHUSA-N 2 0 211.353 0.799 20 0 BCADRP Cc1ccc([C@@H](CNC(=O)C[NH3+])[NH+](C)C)cc1 ZINC000165627561 385157429 /nfs/dbraw/zinc/15/74/29/385157429.db2.gz XKBNZTAUOYVJMX-GFCCVEGCSA-N 2 0 235.331 0.673 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH3+] ZINC000647023319 385158249 /nfs/dbraw/zinc/15/82/49/385158249.db2.gz WYUHFTVPZPSIJH-MWLCHTKSSA-N 2 0 221.304 0.458 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000165642490 385169231 /nfs/dbraw/zinc/16/92/31/385169231.db2.gz YHWOKKLATQBRQR-WCQYABFASA-N 2 0 249.358 0.623 20 0 BCADRP [NH3+]Cc1cc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)co1 ZINC000647057980 385201343 /nfs/dbraw/zinc/20/13/43/385201343.db2.gz FUDZPFYNZKTHJZ-IUCAKERBSA-N 2 0 241.266 0.168 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058096 385201364 /nfs/dbraw/zinc/20/13/64/385201364.db2.gz MOORLUDSMBFXSP-MMWGEVLESA-N 2 0 243.326 0.191 20 0 BCADRP CN(CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC000178205668 385207221 /nfs/dbraw/zinc/20/72/21/385207221.db2.gz OWZNLGOPBBLUIY-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647060795 385207968 /nfs/dbraw/zinc/20/79/68/385207968.db2.gz VEECJTLVUIEUEP-PHIMTYICSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H](NC(=O)c1ccc(C[NH3+])o1)[C@H](C)[NH3+] ZINC000647068713 385215163 /nfs/dbraw/zinc/21/51/63/385215163.db2.gz LFPWGFMEXQHKKH-NKWVEPMBSA-N 2 0 211.265 0.204 20 0 BCADRP CC[N@H+](CCCO)C[C@@]1(C)CC[NH2+]C1 ZINC000308856308 385219537 /nfs/dbraw/zinc/21/95/37/385219537.db2.gz PDWHBOIJAZJQFJ-NSHDSACASA-N 2 0 200.326 0.690 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000647072034 385219949 /nfs/dbraw/zinc/21/99/49/385219949.db2.gz WNTVMGAHHMKSOK-LURJTMIESA-N 2 0 223.267 0.213 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726694 385225238 /nfs/dbraw/zinc/22/52/38/385225238.db2.gz RYDNDFTZRBMZMT-QMMMGPOBSA-N 2 0 211.309 0.077 20 0 BCADRP COC[C@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000564863940 385227590 /nfs/dbraw/zinc/22/75/90/385227590.db2.gz MXTPBIMTYICMGZ-CYBMUJFWSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1NCCC[NH+](C)C ZINC000252716536 385227818 /nfs/dbraw/zinc/22/78/18/385227818.db2.gz YSCZKPPXZQUTQB-NWDGAFQWSA-N 2 0 213.369 0.868 20 0 BCADRP CC(C)([NH3+])CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000647077239 385230292 /nfs/dbraw/zinc/23/02/92/385230292.db2.gz BDZLYAIAOUXNQV-JTQLQIEISA-N 2 0 227.352 0.762 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000647073635 385230720 /nfs/dbraw/zinc/23/07/20/385230720.db2.gz ITAOFGDVZSOPQA-DCAQKATOSA-N 2 0 239.363 0.761 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000648148814 385257134 /nfs/dbraw/zinc/25/71/34/385257134.db2.gz PHMLXXFPKORUJF-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH+](C)CCNC(=O)C1([NH3+])CCCCC1 ZINC000019482058 385235983 /nfs/dbraw/zinc/23/59/83/385235983.db2.gz GROVXFNWOZHMNV-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000333138459 385240189 /nfs/dbraw/zinc/24/01/89/385240189.db2.gz CRHFCXFVPZVQMZ-VHSXEESVSA-N 2 0 240.351 0.130 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)C1CC[NH2+]CC1 ZINC000647081085 385240356 /nfs/dbraw/zinc/24/03/56/385240356.db2.gz FMTJBFUYUXADDS-NSHDSACASA-N 2 0 239.363 0.490 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000647081164 385240882 /nfs/dbraw/zinc/24/08/82/385240882.db2.gz MLZGNXQIOCLVRA-QWRGUYRKSA-N 2 0 239.363 0.490 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000647082973 385244327 /nfs/dbraw/zinc/24/43/27/385244327.db2.gz XNUJWQMSUVPFIO-KXUCPTDWSA-N 2 0 225.336 0.228 20 0 BCADRP C[NH+](C)CCN(C(=O)CC[NH3+])c1ccccc1 ZINC000166407742 385244622 /nfs/dbraw/zinc/24/46/22/385244622.db2.gz GQZZBARSCQMCJL-UHFFFAOYSA-N 2 0 235.331 0.930 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]([NH3+])C(C)C ZINC000308894567 385246530 /nfs/dbraw/zinc/24/65/30/385246530.db2.gz YYFOWCHQQAGIFT-RKDXNWHRSA-N 2 0 201.314 0.084 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N(C)[C@@H](C[NH3+])C2CC2)CC[NH2+]1 ZINC000647085565 385249112 /nfs/dbraw/zinc/24/91/12/385249112.db2.gz SZERIWUESMKSAI-DLOVCJGASA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000647648878 385251070 /nfs/dbraw/zinc/25/10/70/385251070.db2.gz RUZJJSCVZSKPFX-GMTAPVOTSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC(F)F)C[C@H]1C[NH3+] ZINC000647086751 385251253 /nfs/dbraw/zinc/25/12/53/385251253.db2.gz BRGICRXIXBOWJH-HLTSFMKQSA-N 2 0 249.305 0.412 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH3+] ZINC000308885465 385251285 /nfs/dbraw/zinc/25/12/85/385251285.db2.gz VRXBGXWTLGDBEB-IUCAKERBSA-N 2 0 201.314 0.071 20 0 BCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C[NH3+] ZINC000237031829 385251839 /nfs/dbraw/zinc/25/18/39/385251839.db2.gz SHSFJHMIJPQDPP-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP C[C@@H](CC(=O)N(C)CC[NH3+])C1CC[NH2+]CC1 ZINC000647088626 385253843 /nfs/dbraw/zinc/25/38/43/385253843.db2.gz HSRAOFXIXGEBSA-JTQLQIEISA-N 2 0 227.352 0.429 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000336374662 385202627 /nfs/dbraw/zinc/20/26/27/385202627.db2.gz VVHGSLATDOXCOU-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP CCC[C@H](C)C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000308957626 385323916 /nfs/dbraw/zinc/32/39/16/385323916.db2.gz XXSACYMKEGZAGW-GARJFASQSA-N 2 0 200.326 0.593 20 0 BCADRP C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000308965155 385316429 /nfs/dbraw/zinc/31/64/29/385316429.db2.gz UYKFYRWOCVEBEN-WRWGMCAJSA-N 2 0 212.337 0.830 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000647095839 385270909 /nfs/dbraw/zinc/27/09/09/385270909.db2.gz NLQJOQNGYHPHIM-LLVKDONJSA-N 2 0 239.363 0.714 20 0 BCADRP Cn1nncc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347095697 385271311 /nfs/dbraw/zinc/27/13/11/385271311.db2.gz HQAVLSAXTCEULH-ZDUSSCGKSA-N 2 0 249.362 0.779 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C(C)(C)[NH3+] ZINC000237044236 385273761 /nfs/dbraw/zinc/27/37/61/385273761.db2.gz CJELPYBDEFPZNX-JTQLQIEISA-N 2 0 245.367 0.197 20 0 BCADRP C[NH+](C)CCc1ccc(NC(=O)C[NH3+])cc1 ZINC000166742632 385279094 /nfs/dbraw/zinc/27/90/94/385279094.db2.gz QESLOMHKBUOGOH-UHFFFAOYSA-N 2 0 221.304 0.688 20 0 BCADRP C[NH2+][C@@H](C)Cc1noc(CCC(C)(C)[NH3+])n1 ZINC000647142024 385291735 /nfs/dbraw/zinc/29/17/35/385291735.db2.gz LXYZSSIKQDMZOH-QMMMGPOBSA-N 2 0 226.324 0.890 20 0 BCADRP C[NH2+][C@@H](C)Cc1noc(C2([NH3+])CCCC2)n1 ZINC000647141967 385293394 /nfs/dbraw/zinc/29/33/94/385293394.db2.gz APYOSJZHYAVRHA-QMMMGPOBSA-N 2 0 224.308 0.948 20 0 BCADRP [NH3+][C@H](C(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000191340689 385300024 /nfs/dbraw/zinc/30/00/24/385300024.db2.gz FHAYAFGFSYHKII-NEPJUHHUSA-N 2 0 233.315 0.636 20 0 BCADRP C[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)[C@H](C)[NH3+] ZINC000164966269 385330763 /nfs/dbraw/zinc/33/07/63/385330763.db2.gz AGCLPOLAJFVIBG-ZJUUUORDSA-N 2 0 229.368 0.674 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000164990249 385332315 /nfs/dbraw/zinc/33/23/15/385332315.db2.gz WAYIDDJVMCZYIP-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000178826537 385332471 /nfs/dbraw/zinc/33/24/71/385332471.db2.gz ISLJZUGIEBXEOJ-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000165004002 385335141 /nfs/dbraw/zinc/33/51/41/385335141.db2.gz NOUIRVWBNKXKPU-QWRGUYRKSA-N 2 0 229.368 0.818 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000259355367 385336681 /nfs/dbraw/zinc/33/66/81/385336681.db2.gz ZAKOHJVXVMVFCN-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000178867265 385340734 /nfs/dbraw/zinc/34/07/34/385340734.db2.gz AEDKBIUBNWOWIL-XHNCKOQMSA-N 2 0 211.309 0.075 20 0 BCADRP C[C@@H](C(=O)N1CC[NH2+]CC1)[C@H]([NH3+])c1ccccc1 ZINC000131665159 385351961 /nfs/dbraw/zinc/35/19/61/385351961.db2.gz YPWKSPOXLZSHKL-YPMHNXCESA-N 2 0 247.342 0.754 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000309010900 385358981 /nfs/dbraw/zinc/35/89/81/385358981.db2.gz RVGVCWSXKNSLPJ-MRVPVSSYSA-N 2 0 201.314 0.167 20 0 BCADRP C[C@@H]1[C@H](C)N(C(=O)/C=C/C[NH+](C)C)CC[N@H+]1C ZINC000492344861 385361030 /nfs/dbraw/zinc/36/10/30/385361030.db2.gz WHLKPZLAEMLHSV-JIVBQCDMSA-N 2 0 239.363 0.655 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000131826996 385361728 /nfs/dbraw/zinc/36/17/28/385361728.db2.gz SRYYSXFVJOQQTI-CHWSQXEVSA-N 2 0 247.342 0.802 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000178405972 385366780 /nfs/dbraw/zinc/36/67/80/385366780.db2.gz ZGLOSULHVLUMAJ-GWCFXTLKSA-N 2 0 247.342 0.554 20 0 BCADRP C[C@@H]([NH3+])CCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000178405980 385367038 /nfs/dbraw/zinc/36/70/38/385367038.db2.gz ZGLOSULHVLUMAJ-MFKMUULPSA-N 2 0 247.342 0.554 20 0 BCADRP CO[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000400151180 385327337 /nfs/dbraw/zinc/32/73/37/385327337.db2.gz QKQGKGQFUKMCMH-IJLUTSLNSA-N 2 0 210.321 0.563 20 0 BCADRP [NH3+][C@H](CC(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000178806630 385420335 /nfs/dbraw/zinc/42/03/35/385420335.db2.gz QBRLMMLIUSETGG-CHWSQXEVSA-N 2 0 247.342 0.945 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000644081807 385426755 /nfs/dbraw/zinc/42/67/55/385426755.db2.gz BQKSOBIFXHOOKG-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP CN(Cc1cccnc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289428474 385444053 /nfs/dbraw/zinc/44/40/53/385444053.db2.gz XIHHHFPRBXRSGP-AWEZNQCLSA-N 2 0 249.358 0.969 20 0 BCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000170786972 385446189 /nfs/dbraw/zinc/44/61/89/385446189.db2.gz UNLCLHFFUMZYRM-CHWSQXEVSA-N 2 0 247.342 0.506 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000644096823 385456744 /nfs/dbraw/zinc/45/67/44/385456744.db2.gz XDDZRXGRWOWXBL-HBNTYKKESA-N 2 0 239.363 0.713 20 0 BCADRP CN(C(=O)[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CC[NH2+]C1 ZINC000644086012 385432255 /nfs/dbraw/zinc/43/22/55/385432255.db2.gz GKSLKCJWGUJUBR-IUCAKERBSA-N 2 0 247.289 0.052 20 0 BCADRP CN(C(=O)[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000644086010 385432265 /nfs/dbraw/zinc/43/22/65/385432265.db2.gz GKSLKCJWGUJUBR-BDAKNGLRSA-N 2 0 247.289 0.052 20 0 BCADRP CC(C)[C@@H](C(=O)NCC[NH2+]C1CC1)[C@@H](C)[NH3+] ZINC000644083986 385433697 /nfs/dbraw/zinc/43/36/97/385433697.db2.gz YFYJDJJRRSOTLV-MWLCHTKSSA-N 2 0 227.352 0.474 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000644087645 385436176 /nfs/dbraw/zinc/43/61/76/385436176.db2.gz FHWYDODOKHSADV-SECBINFHSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]CC1(CC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000644086290 385438015 /nfs/dbraw/zinc/43/80/15/385438015.db2.gz YSYAMIOAXNOTPE-NSHDSACASA-N 2 0 239.363 0.621 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000644099501 385472182 /nfs/dbraw/zinc/47/21/82/385472182.db2.gz JTEBNOIRPPANNA-GHMZBOCLSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CCCO1 ZINC000309201040 385475653 /nfs/dbraw/zinc/47/56/53/385475653.db2.gz AIWBQTATCFBJJS-NWDGAFQWSA-N 2 0 230.352 0.722 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364556756 385476769 /nfs/dbraw/zinc/47/67/69/385476769.db2.gz AGTJNOCBSFGVIJ-ZYHUDNBSSA-N 2 0 225.336 0.054 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000644104179 385478073 /nfs/dbraw/zinc/47/80/73/385478073.db2.gz LHFLCOTZHIOGAS-AEJSXWLSSA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364583426 385479108 /nfs/dbraw/zinc/47/91/08/385479108.db2.gz VJKNIWRTMJBAKI-KGYLQXTDSA-N 2 0 239.363 0.476 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000257647063 385480501 /nfs/dbraw/zinc/48/05/01/385480501.db2.gz ANCFBPJWDBDUSN-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C1CC1 ZINC000364573329 385480686 /nfs/dbraw/zinc/48/06/86/385480686.db2.gz BFSSMAPPGYAELG-CYZMBNFOSA-N 2 0 237.347 0.230 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@H]1C[C@]12CC[NH2+]C2)C1CC1 ZINC000364573333 385480825 /nfs/dbraw/zinc/48/08/25/385480825.db2.gz BFSSMAPPGYAELG-RTXFEEFZSA-N 2 0 237.347 0.230 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000644107145 385483501 /nfs/dbraw/zinc/48/35/01/385483501.db2.gz WCYITZWFLSWYQQ-JTQLQIEISA-N 2 0 239.363 0.490 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000257676762 385485238 /nfs/dbraw/zinc/48/52/38/385485238.db2.gz HWHUUSVFCGYSSE-UWVGGRQHSA-N 2 0 211.309 0.030 20 0 BCADRP C[C@]([NH3+])(C(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000195231488 385463696 /nfs/dbraw/zinc/46/36/96/385463696.db2.gz UXZKJTYOQFCKGS-TZMCWYRMSA-N 2 0 247.342 0.729 20 0 BCADRP C[C@]([NH3+])(C(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000195231269 385464147 /nfs/dbraw/zinc/46/41/47/385464147.db2.gz JEZMPOSHZRJUIS-CQSZACIVSA-N 2 0 247.342 0.810 20 0 BCADRP C[C@@]([NH3+])(C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000195231637 385464226 /nfs/dbraw/zinc/46/42/26/385464226.db2.gz ZQSGSVRGNXYIIF-AAEUAGOBSA-N 2 0 233.315 0.339 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CC[NH2+]1 ZINC000309243271 385498009 /nfs/dbraw/zinc/49/80/09/385498009.db2.gz BIAQLYSMQUXGBA-NXEZZACHSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H](CO)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000309250267 385499446 /nfs/dbraw/zinc/49/94/46/385499446.db2.gz ZZXFHHUQKVPMRW-CKYFFXLPSA-N 2 0 212.337 0.830 20 0 BCADRP [NH3+]C[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000336268343 385502404 /nfs/dbraw/zinc/50/24/04/385502404.db2.gz XMGSIBNCRHBOED-LBPRGKRZSA-N 3 0 211.353 0.657 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000309277515 385507621 /nfs/dbraw/zinc/50/76/21/385507621.db2.gz DYIODGNQZFGAGD-UWVGGRQHSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC000644144899 385536002 /nfs/dbraw/zinc/53/60/02/385536002.db2.gz QRPHVIHUMVDATH-JQWIXIFHSA-N 2 0 237.347 0.244 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000644144634 385536750 /nfs/dbraw/zinc/53/67/50/385536750.db2.gz IPAIAVWZTKAUPL-NXEZZACHSA-N 2 0 225.336 0.100 20 0 BCADRP CCC[NH+]1CCC([NH2+]C[C@@]2(O)CCOC2)CC1 ZINC000183391121 385539647 /nfs/dbraw/zinc/53/96/47/385539647.db2.gz GMCRUYGLKASANF-ZDUSSCGKSA-N 2 0 242.363 0.602 20 0 BCADRP CN(C(=O)[C@@H]1[NH2+]CC1(C)C)C1(C[NH3+])CCC1 ZINC000644139668 385524496 /nfs/dbraw/zinc/52/44/96/385524496.db2.gz HVBLZQCZZVXAOK-VIFPVBQESA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H](C)[NH3+] ZINC000644142296 385525574 /nfs/dbraw/zinc/52/55/74/385525574.db2.gz MGMLNMPBVYQWDC-VPOLOUISSA-N 2 0 245.342 0.422 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C1([NH3+])CCCCC1 ZINC000309367140 385552338 /nfs/dbraw/zinc/55/23/38/385552338.db2.gz BKUWWTVGBUFHOR-SECBINFHSA-N 2 0 213.325 0.502 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000054075555 385593948 /nfs/dbraw/zinc/59/39/48/385593948.db2.gz XMYFNDAUMZIZRI-JTQLQIEISA-N 2 0 227.352 0.395 20 0 BCADRP [NH3+][C@H]1CCC[C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000366558943 385595989 /nfs/dbraw/zinc/59/59/89/385595989.db2.gz XENVSZSOYFZVBM-NAKRPEOUSA-N 2 0 243.326 0.320 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]CCC1CC[NH+](C)CC1 ZINC000309506956 385640360 /nfs/dbraw/zinc/64/03/60/385640360.db2.gz WCYDHAXQDQWDSQ-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[NH+](C)CC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000647723494 385641498 /nfs/dbraw/zinc/64/14/98/385641498.db2.gz IMPLFYUQOHZRLI-UHFFFAOYSA-N 2 0 239.363 0.492 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000309516000 385654395 /nfs/dbraw/zinc/65/43/95/385654395.db2.gz YSLKKOHQMIODIN-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CC[C@]1(C(=O)N[C@@H](C)CC[NH3+])CCC[NH2+]1 ZINC000336734137 385657600 /nfs/dbraw/zinc/65/76/00/385657600.db2.gz HENSIQPILJTQRV-GXSJLCMTSA-N 2 0 213.325 0.372 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645221989 385688546 /nfs/dbraw/zinc/68/85/46/385688546.db2.gz SZGZHEHHAYTZEU-GFCCVEGCSA-N 2 0 246.314 0.092 20 0 BCADRP Cc1nc(N)nc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000310958577 385703538 /nfs/dbraw/zinc/70/35/38/385703538.db2.gz NNZMSFKXFVZSJW-GFCCVEGCSA-N 2 0 248.334 0.294 20 0 BCADRP C[C@@H](Cn1cccn1)[NH2+]CCn1ccnc1 ZINC000122678719 385714840 /nfs/dbraw/zinc/71/48/40/385714840.db2.gz OEHNMYDIWPKDIL-NSHDSACASA-N 2 0 219.292 0.758 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC[C@H]1CCC[NH2+]C1 ZINC000414856756 385716469 /nfs/dbraw/zinc/71/64/69/385716469.db2.gz ZLBDXJJYSBGFDQ-RYUDHWBXSA-N 3 0 213.369 0.949 20 0 BCADRP CC[C@H](COC)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000336698697 385752679 /nfs/dbraw/zinc/75/26/79/385752679.db2.gz VPJHSRHUTJWNFK-HBNTYKKESA-N 2 0 200.326 0.999 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000647797098 385760332 /nfs/dbraw/zinc/76/03/32/385760332.db2.gz YVXDZHPFLKTJKS-ZYHUDNBSSA-N 2 0 239.363 0.537 20 0 BCADRP CCn1ncnc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647797135 385765094 /nfs/dbraw/zinc/76/50/94/385765094.db2.gz ZUFOZCYDZYPPGD-IJLUTSLNSA-N 2 0 249.362 0.776 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973051 385778767 /nfs/dbraw/zinc/77/87/67/385778767.db2.gz NUVZVGABGFADQH-NWDGAFQWSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000261615309 385825893 /nfs/dbraw/zinc/82/58/93/385825893.db2.gz AQBNACFAHFWVOL-JQWIXIFHSA-N 2 0 235.331 0.801 20 0 BCADRP COC[C@@]1(CN[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000414951053 385827436 /nfs/dbraw/zinc/82/74/36/385827436.db2.gz GIADPQUZIODAOK-RYUDHWBXSA-N 2 0 227.352 0.097 20 0 BCADRP C[C@](C[NH3+])(NC(=O)C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647807099 385857817 /nfs/dbraw/zinc/85/78/17/385857817.db2.gz CQGUFLVEBTTZKY-JOYOIKCWSA-N 2 0 225.336 0.230 20 0 BCADRP COCC[NH2+]CCNCC[NH2+]C(C)(C)C ZINC000414869648 385834471 /nfs/dbraw/zinc/83/44/71/385834471.db2.gz GEGRVPPCQDAWAR-UHFFFAOYSA-N 2 0 217.357 0.200 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@]1(C)CC[NH2+]C1 ZINC000414953946 385835348 /nfs/dbraw/zinc/83/53/48/385835348.db2.gz MHTUJKCNTAPFRB-SRVKXCTJSA-N 2 0 211.353 0.716 20 0 BCADRP COC[C@@]1(CNCC[NH2+]C(C)(C)C)CCC[NH2+]1 ZINC000414957140 385842844 /nfs/dbraw/zinc/84/28/44/385842844.db2.gz PTGMORGLRIDMGG-ZDUSSCGKSA-N 2 0 243.395 0.733 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC[N@@H+]1C ZINC000647805179 385844367 /nfs/dbraw/zinc/84/43/67/385844367.db2.gz BCHNQEJPSJRCSI-DDHJBXDOSA-N 2 0 239.363 0.535 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000638114386 385848934 /nfs/dbraw/zinc/84/89/34/385848934.db2.gz IGXGTRUSQJWWCJ-YUSALJHKSA-N 2 0 237.347 0.633 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000638115884 385852471 /nfs/dbraw/zinc/85/24/71/385852471.db2.gz KDWIDBORMNSULC-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCNC2)CC[NH2+]1 ZINC000414867023 385794619 /nfs/dbraw/zinc/79/46/19/385794619.db2.gz NUGOSWHTALOCLQ-IJLUTSLNSA-N 2 0 211.353 0.716 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000294707627 385885582 /nfs/dbraw/zinc/88/55/82/385885582.db2.gz HDZOJDIRKSHMBO-JSGCOSHPSA-N 2 0 247.342 0.681 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000294707631 385886164 /nfs/dbraw/zinc/88/61/64/385886164.db2.gz HDZOJDIRKSHMBO-OCCSQVGLSA-N 2 0 247.342 0.681 20 0 BCADRP C[C@@H]1CN(CCN2CC[NH2+]CC2(C)C)CCO1 ZINC000647852825 385904478 /nfs/dbraw/zinc/90/44/78/385904478.db2.gz CNLXTCKGJSZHCF-GFCCVEGCSA-N 2 0 241.379 0.391 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639020712 385929581 /nfs/dbraw/zinc/92/95/81/385929581.db2.gz LIJJYSCTSMHASH-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336721351 385908895 /nfs/dbraw/zinc/90/88/95/385908895.db2.gz SOLDCGTVXPAENW-APPZFPTMSA-N 2 0 247.289 0.322 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCn1cccn1 ZINC000122317472 385909415 /nfs/dbraw/zinc/90/94/15/385909415.db2.gz DQHHNKDWTQQFOA-GHMZBOCLSA-N 2 0 208.309 0.552 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000647858092 385913836 /nfs/dbraw/zinc/91/38/36/385913836.db2.gz RSLIKGXBESZHPM-ZJUUUORDSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000647858090 385914425 /nfs/dbraw/zinc/91/44/25/385914425.db2.gz RSLIKGXBESZHPM-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000647858091 385914500 /nfs/dbraw/zinc/91/45/00/385914500.db2.gz RSLIKGXBESZHPM-VHSXEESVSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000331759731 385917083 /nfs/dbraw/zinc/91/70/83/385917083.db2.gz JWSFPNGCBJQTNN-OPRDCNLKSA-N 2 0 240.351 0.258 20 0 BCADRP CCC[NH2+]CC[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414877483 385920996 /nfs/dbraw/zinc/92/09/96/385920996.db2.gz XPNPMZHHKPJGQG-NWDGAFQWSA-N 3 0 213.369 0.964 20 0 BCADRP CCC[NH2+]CCNC[C@H]([NH3+])CC(C)C ZINC000414877931 385927287 /nfs/dbraw/zinc/92/72/87/385927287.db2.gz YOZFMJALUMPWBF-LLVKDONJSA-N 2 0 201.358 0.949 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000647811305 385861863 /nfs/dbraw/zinc/86/18/63/385861863.db2.gz GAGUHFSRCZKASL-IJLUTSLNSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@]1(C(=O)N2CC[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000647732767 385862744 /nfs/dbraw/zinc/86/27/44/385862744.db2.gz XKXTTYZSDHZBMA-PWSUYJOCSA-N 2 0 225.336 0.183 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000262627738 385867110 /nfs/dbraw/zinc/86/71/10/385867110.db2.gz GKCGAMJNASVNKH-PWSUYJOCSA-N 2 0 235.331 0.848 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000414959670 385869229 /nfs/dbraw/zinc/86/92/29/385869229.db2.gz TZALJKVKBFJRHS-QJPTWQEYSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC(F)F)[C@H]1C[NH3+] ZINC000647820966 385870508 /nfs/dbraw/zinc/87/05/08/385870508.db2.gz XAZYLVBLUCBTEF-VGMNWLOBSA-N 2 0 249.305 0.555 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC(F)F)[C@@H]1C[NH3+] ZINC000647820965 385870609 /nfs/dbraw/zinc/87/06/09/385870609.db2.gz XAZYLVBLUCBTEF-IWSPIJDZSA-N 2 0 249.305 0.555 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000647818228 385870935 /nfs/dbraw/zinc/87/09/35/385870935.db2.gz FDCQQZARHGNFQI-RNWYCLNJSA-N 2 0 237.347 0.038 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1 ZINC000262677407 385873248 /nfs/dbraw/zinc/87/32/48/385873248.db2.gz UQXGJMNJLGJVFS-CHWSQXEVSA-N 2 0 247.342 0.815 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000294669140 385879632 /nfs/dbraw/zinc/87/96/32/385879632.db2.gz ALEQNWMCWFPRLW-NWDGAFQWSA-N 2 0 233.315 0.554 20 0 BCADRP CCC[NH2+]CCNC[C@@H]([NH3+])CC(C)C ZINC000414877933 385928398 /nfs/dbraw/zinc/92/83/98/385928398.db2.gz YOZFMJALUMPWBF-NSHDSACASA-N 2 0 201.358 0.949 20 0 BCADRP CCN(C)C(=O)CC[NH+]1CCC(C[NH2+]C)CC1 ZINC000647837712 385882496 /nfs/dbraw/zinc/88/24/96/385882496.db2.gz UYMOUVMHZCOMKJ-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)c1ccccc1 ZINC000647767371 385883484 /nfs/dbraw/zinc/88/34/84/385883484.db2.gz GKFFWQYXUFEIDK-XQHKEYJVSA-N 2 0 245.326 0.553 20 0 BCADRP [NH3+]C1(CC(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000639019799 385931962 /nfs/dbraw/zinc/93/19/62/385931962.db2.gz IJTZRDYXCFGZGM-MNOVXSKESA-N 2 0 237.347 0.468 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NCC1=CC[N@H+](C)CC1 ZINC000335041465 385934152 /nfs/dbraw/zinc/93/41/52/385934152.db2.gz ICLAEQBFZMGTJL-DGCLKSJQSA-N 2 0 223.364 0.836 20 0 BCADRP CC[N@@H+]1CC[C@H](NC[C@@H](C)C[NH3+])[C@@H](C)C1 ZINC000414878211 385934847 /nfs/dbraw/zinc/93/48/47/385934847.db2.gz ODKMGGWAQPZCMN-SRVKXCTJSA-N 2 0 213.369 0.901 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)[C@H]([NH3+])c1ccccc1C ZINC000294998658 385938780 /nfs/dbraw/zinc/93/87/80/385938780.db2.gz LDACZGPJVFBICZ-CMPLNLGQSA-N 2 0 235.331 0.719 20 0 BCADRP C[C@@H]1CN(CC[NH+]2CCC(C)([NH3+])CC2)CCO1 ZINC000647924119 385940937 /nfs/dbraw/zinc/94/09/37/385940937.db2.gz GXURDHOEQZMMGM-GFCCVEGCSA-N 2 0 241.379 0.520 20 0 BCADRP CCN(C)C(=O)CC[NH+]1CCC(C)([NH3+])CC1 ZINC000647924280 385949271 /nfs/dbraw/zinc/94/92/71/385949271.db2.gz UJFROXSMKSCRKZ-UHFFFAOYSA-N 2 0 227.352 0.668 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000417448956 385953009 /nfs/dbraw/zinc/95/30/09/385953009.db2.gz WZUUAIQXGZDSAV-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP C1CCC([N@@H+]2CC[C@H](N[C@H]3CC[NH2+]C3)C2)C1 ZINC000335058162 385958151 /nfs/dbraw/zinc/95/81/51/385958151.db2.gz YPNSKDRDEDDUDI-RYUDHWBXSA-N 2 0 223.364 0.955 20 0 BCADRP COc1ccc2c(c1)[C@@H]([NH3+])CCN2C(=O)[C@@H](C)[NH3+] ZINC000365220604 385960681 /nfs/dbraw/zinc/96/06/81/385960681.db2.gz HYUXTKXRFCLTLV-KCJUWKMLSA-N 2 0 249.314 0.779 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251311507 385963638 /nfs/dbraw/zinc/96/36/38/385963638.db2.gz KKPQCLFVBATCJJ-AAEUAGOBSA-N 2 0 239.363 0.811 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365228856 385966059 /nfs/dbraw/zinc/96/60/59/385966059.db2.gz USBFYTMMUQJWGI-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+]CC1(CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000335015008 385971133 /nfs/dbraw/zinc/97/11/33/385971133.db2.gz VRBQJIWRERDTMI-PHIMTYICSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(CCC2CC[NH2+]CC2)CCO1 ZINC000647865687 385997754 /nfs/dbraw/zinc/99/77/54/385997754.db2.gz QDDJOCIDBKSEFY-AAEUAGOBSA-N 2 0 241.379 0.424 20 0 BCADRP CC[NH+](CC)CCCN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647865876 385999419 /nfs/dbraw/zinc/99/94/19/385999419.db2.gz WCFHYSCIFAQJIL-QWHCGFSZSA-N 2 0 243.395 0.766 20 0 BCADRP c1n[nH]cc1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000309272817 385999682 /nfs/dbraw/zinc/99/96/82/385999682.db2.gz LLFPCMKGWZPZTO-NEPJUHHUSA-N 2 0 220.320 0.636 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000309406502 386006763 /nfs/dbraw/zinc/00/67/63/386006763.db2.gz HZHSIDZDMILYHF-DTWKUNHWSA-N 2 0 213.325 0.310 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC000338454821 386007859 /nfs/dbraw/zinc/00/78/59/386007859.db2.gz JCSCEABDYUQRJV-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP CC[N@H+](CCNC(=O)N[C@H](C)[C@@H](C)[NH3+])C(C)C ZINC000417460642 386012769 /nfs/dbraw/zinc/01/27/69/386012769.db2.gz KDIMRYFGGRJQQK-GHMZBOCLSA-N 2 0 244.383 0.752 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000335064487 386035547 /nfs/dbraw/zinc/03/55/47/386035547.db2.gz ZHHAQRKKMOZMMV-LLVKDONJSA-N 2 0 233.315 0.513 20 0 BCADRP CC[C@]1(C(=O)NCC(C)(C)[NH+](C)C)CCC[NH2+]1 ZINC000128973444 386039813 /nfs/dbraw/zinc/03/98/13/386039813.db2.gz OPFUYHYJVBKJNB-CYBMUJFWSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCC[N@H+](CC)C(C)C ZINC000417466105 386041429 /nfs/dbraw/zinc/04/14/29/386041429.db2.gz UCUKMAPQFWBZJP-LLVKDONJSA-N 2 0 244.383 0.753 20 0 BCADRP CC[C@H](COC)[NH2+]CCNCCOC ZINC000414888381 386102973 /nfs/dbraw/zinc/10/29/73/386102973.db2.gz RMTVVWFJWVYSSH-SNVBAGLBSA-N 2 0 204.314 0.237 20 0 BCADRP C[C@H](C[NH3+])NC(=O)c1sccc1C[NH+](C)C ZINC000274452974 386104491 /nfs/dbraw/zinc/10/44/91/386104491.db2.gz STPDNAAUTCUEEG-MRVPVSSYSA-N 2 0 241.360 0.887 20 0 BCADRP CC[N@H+](CCNC(=O)NCC(C)(C)[NH3+])C1CC1 ZINC000417481531 386123882 /nfs/dbraw/zinc/12/38/82/386123882.db2.gz HVVRNKQCMIOILI-UHFFFAOYSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H]1C[C@H](C[N@@H+]2CCNC[C@@H]2C)CC[NH2+]1 ZINC000414667444 386115569 /nfs/dbraw/zinc/11/55/69/386115569.db2.gz HJNXDOKASDHYMI-SDDRHHMPSA-N 2 0 211.353 0.668 20 0 BCADRP CC[C@H](Cn1cncn1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000340522468 386116011 /nfs/dbraw/zinc/11/60/11/386116011.db2.gz AYMGZCNMQAXUFG-CYBMUJFWSA-N 2 0 249.362 0.908 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000054340067 386121407 /nfs/dbraw/zinc/12/14/07/386121407.db2.gz FKQVBFHBTKYWDD-VHSXEESVSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H](C(=O)NCC[N@H+](C)C1CC1)C1C[NH2+]C1 ZINC000129230579 386065618 /nfs/dbraw/zinc/06/56/18/386065618.db2.gz JLWQTRXZRCXKEE-SECBINFHSA-N 2 0 225.336 0.052 20 0 BCADRP Cc1[nH]nc2ncc(C[NH2+]C[C@@H](C)C[NH3+])cc12 ZINC000414885865 386066605 /nfs/dbraw/zinc/06/66/05/386066605.db2.gz XPNCEIBBBVRPMR-QMMMGPOBSA-N 2 0 233.319 0.951 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000310085513 386083210 /nfs/dbraw/zinc/08/32/10/386083210.db2.gz GNZZJFDYAHMICL-JQWIXIFHSA-N 2 0 239.363 0.395 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000334448650 386083747 /nfs/dbraw/zinc/08/37/47/386083747.db2.gz RIDWUEQWRPWVGC-NSHDSACASA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])CCO1 ZINC000647874971 386144218 /nfs/dbraw/zinc/14/42/18/386144218.db2.gz OBKMGVUKPBKWKA-UWVGGRQHSA-N 2 0 243.351 0.079 20 0 BCADRP CC[N@H+](C)CCNC(=O)c1ccnc(C[NH3+])c1 ZINC000130257884 386148087 /nfs/dbraw/zinc/14/80/87/386148087.db2.gz ATOKSYZHHCIJCX-UHFFFAOYSA-N 2 0 236.319 0.222 20 0 BCADRP C[NH+](C)CCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000055122431 386157076 /nfs/dbraw/zinc/15/70/76/386157076.db2.gz LAVCRUQQSZJKSO-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP CC[N@H+](CC(=O)NC[C@H](C)[NH+](C)C)C1CC1 ZINC000343177143 386157095 /nfs/dbraw/zinc/15/70/95/386157095.db2.gz HZGJHCJARJQYRU-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP CC(C)[N@@H+](CC(N)=O)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414677805 386157851 /nfs/dbraw/zinc/15/78/51/386157851.db2.gz JTFVWQXOFBKMNZ-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP CC[N@H+](C)CCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055131824 386158881 /nfs/dbraw/zinc/15/88/81/386158881.db2.gz XQFSPHINTJASGN-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@H]2C(N)=O)CC[NH2+]1 ZINC000414681596 386163812 /nfs/dbraw/zinc/16/38/12/386163812.db2.gz PMYFCGIKIUYOHZ-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@]1(C[NH2+]C[C@H]2CCNCC2(F)F)CC[NH2+]C1 ZINC000414993203 386163834 /nfs/dbraw/zinc/16/38/34/386163834.db2.gz CGJQVYHPTYOMMR-GHMZBOCLSA-N 2 0 247.333 0.820 20 0 BCADRP CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414681388 386164424 /nfs/dbraw/zinc/16/44/24/386164424.db2.gz VYNXLNRPGXQXIS-GFCCVEGCSA-N 2 0 241.379 0.772 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2C(N)=O)CC[NH2+]1 ZINC000414681598 386164620 /nfs/dbraw/zinc/16/46/20/386164620.db2.gz PMYFCGIKIUYOHZ-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H]([NH3+])c1cn(C[C@H](O)C[N@H+](C)CC)nn1 ZINC000310315112 386172330 /nfs/dbraw/zinc/17/23/30/386172330.db2.gz XIFFNPRRHJPJGR-ZJUUUORDSA-N 2 0 241.339 0.001 20 0 BCADRP Cc1ccc(O)c(C[NH2+][C@H](C)CC[NH3+])n1 ZINC000414894481 386174788 /nfs/dbraw/zinc/17/47/88/386174788.db2.gz ZLPDGIHXAPFEJJ-MRVPVSSYSA-N 2 0 209.293 0.923 20 0 BCADRP C[C@H](NC(=O)c1c[nH+]ccc1N)[C@@H]1CCC[NH2+]C1 ZINC000296597286 386188002 /nfs/dbraw/zinc/18/80/02/386188002.db2.gz YEJAEMHTYDMJAT-VHSXEESVSA-N 2 0 248.330 0.782 20 0 BCADRP O[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000393458186 386129135 /nfs/dbraw/zinc/12/91/35/386129135.db2.gz FRKAQTZRFUGHEK-NNYUYHANSA-N 2 0 210.321 0.726 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638295295 386131502 /nfs/dbraw/zinc/13/15/02/386131502.db2.gz VXTZJFWUDWOZIW-GFCCVEGCSA-N 2 0 239.363 0.834 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC000338764510 386132142 /nfs/dbraw/zinc/13/21/42/386132142.db2.gz AVQIXNUNYCPYKS-GFCCVEGCSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000414669913 386134563 /nfs/dbraw/zinc/13/45/63/386134563.db2.gz CFAMYIMCZJVKNB-TUAOUCFPSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(C(=O)CCC(C)(C)[NH3+])CCO1 ZINC000647874972 386143421 /nfs/dbraw/zinc/14/34/21/386143421.db2.gz OBKMGVUKPBKWKA-VHSXEESVSA-N 2 0 243.351 0.079 20 0 BCADRP CC(C)NC(=O)C[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414673072 386144049 /nfs/dbraw/zinc/14/40/49/386144049.db2.gz BNJDDEFOPREFMX-NEPJUHHUSA-N 2 0 241.379 0.831 20 0 BCADRP CCC[N@@H+](CC(=O)NC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414700660 386208992 /nfs/dbraw/zinc/20/89/92/386208992.db2.gz ZQAYSWPENXAVQV-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000131723250 386214233 /nfs/dbraw/zinc/21/42/33/386214233.db2.gz LGXISKLTKGMLGI-GHMZBOCLSA-N 2 0 225.336 0.326 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645306126 386219838 /nfs/dbraw/zinc/21/98/38/386219838.db2.gz KFBNREMZDNBCLX-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]1CCC[NH2+]C1 ZINC000131922741 386226911 /nfs/dbraw/zinc/22/69/11/386226911.db2.gz VJHBWHVNXBXWGV-AAEUAGOBSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1CCC[NH2+]C1 ZINC000131931578 386227736 /nfs/dbraw/zinc/22/77/36/386227736.db2.gz JKVBGCSWPZUJGW-JQWIXIFHSA-N 2 0 227.352 0.476 20 0 BCADRP CC[C@]1(C(=O)NC[C@H]2CC[N@H+](C)C2)CCC[NH2+]1 ZINC000215331914 386230210 /nfs/dbraw/zinc/23/02/10/386230210.db2.gz YPUJTFHQTRMJIL-DGCLKSJQSA-N 2 0 239.363 0.587 20 0 BCADRP NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647882663 386234096 /nfs/dbraw/zinc/23/40/96/386234096.db2.gz LBBIYJQVMSVUBU-QWRGUYRKSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000288892816 386239116 /nfs/dbraw/zinc/23/91/16/386239116.db2.gz AXXSSNNQFCRLQZ-OSMZGAPFSA-N 2 0 247.342 0.809 20 0 BCADRP CCC[C@@H]1CN(CCC[NH3+])CC[N@@H+]1CCOC ZINC000414717020 386241203 /nfs/dbraw/zinc/24/12/03/386241203.db2.gz YXPMNFOLVPGUCL-CYBMUJFWSA-N 2 0 243.395 0.768 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000638350037 386241365 /nfs/dbraw/zinc/24/13/65/386241365.db2.gz AMFXONQRZFXCJL-JQWIXIFHSA-N 2 0 247.342 0.901 20 0 BCADRP COCC[N@H+](CCOCC[NH3+])C1CCCC1 ZINC000647883462 386241766 /nfs/dbraw/zinc/24/17/66/386241766.db2.gz TWDJDJLNOSILBW-UHFFFAOYSA-N 2 0 230.352 0.853 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NC(C)(C)CC[NH3+] ZINC000638355170 386246169 /nfs/dbraw/zinc/24/61/69/386246169.db2.gz GURHCUPJMAEIDY-JTQLQIEISA-N 2 0 229.368 0.994 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638355197 386247149 /nfs/dbraw/zinc/24/71/49/386247149.db2.gz HGYLFCSUAOAOJD-SECBINFHSA-N 2 0 211.309 0.278 20 0 BCADRP COC(=O)c1ccc(C[NH2+][C@@H](C)CC[NH3+])[nH]1 ZINC000414899475 386251702 /nfs/dbraw/zinc/25/17/02/386251702.db2.gz UTIZMFAJGVRTJB-QMMMGPOBSA-N 2 0 225.292 0.628 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000132916993 386258037 /nfs/dbraw/zinc/25/80/37/386258037.db2.gz TVIMEBFVRVYYOQ-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1C[C@H](O)C[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336647265 386258190 /nfs/dbraw/zinc/25/81/90/386258190.db2.gz LWBQZYOOKAZLRG-WOPDTQHZSA-N 2 0 212.337 0.926 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN([C@@H]2COC[C@@H]2O)C1 ZINC000340283114 386196567 /nfs/dbraw/zinc/19/65/67/386196567.db2.gz XBJBTDCHVGGZGF-TUAOUCFPSA-N 2 0 228.336 0.020 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000236616691 386291738 /nfs/dbraw/zinc/29/17/38/386291738.db2.gz WCTDRZVGRBRVEN-LBPRGKRZSA-N 2 0 247.342 0.554 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000091392359 386297183 /nfs/dbraw/zinc/29/71/83/386297183.db2.gz MGFDRUGHJMCCMQ-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000133181918 386301028 /nfs/dbraw/zinc/30/10/28/386301028.db2.gz HJLYAEKZRODKGJ-NWDGAFQWSA-N 2 0 241.379 0.783 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000180896512 386305287 /nfs/dbraw/zinc/30/52/87/386305287.db2.gz MFNKWTZPJYJVEK-AAEUAGOBSA-N 2 0 239.363 0.729 20 0 BCADRP [NH3+]C1CCC([NH2+][C@H]2CCCC[NH2+]C2)CC1 ZINC000335266646 386305765 /nfs/dbraw/zinc/30/57/65/386305765.db2.gz BWQWFPBVRYCUDQ-MCIGGMRASA-N 3 0 211.353 0.988 20 0 BCADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC000334509273 386308842 /nfs/dbraw/zinc/30/88/42/386308842.db2.gz CUCAULVICFWBHQ-CYBMUJFWSA-N 2 0 234.347 0.911 20 0 BCADRP C[NH2+]C[C@H]1CCCN(CCN2CCCC2=O)C1 ZINC000430629540 386312773 /nfs/dbraw/zinc/31/27/73/386312773.db2.gz QKSYYCJKABTMET-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@H]1CO ZINC000414738385 386318139 /nfs/dbraw/zinc/31/81/39/386318139.db2.gz JFOMKQQEJRTHJR-NDBYEHHHSA-N 2 0 226.364 0.935 20 0 BCADRP C[NH+](C)CC1CC[NH+](CCn2cncn2)CC1 ZINC000336679758 386321208 /nfs/dbraw/zinc/32/12/08/386321208.db2.gz CBESFMAUARYHID-UHFFFAOYSA-N 2 0 237.351 0.552 20 0 BCADRP CC[C@@H](C(=O)NCC1([NH+](C)C)CC1)[NH+](C)C ZINC000416307216 386269262 /nfs/dbraw/zinc/26/92/62/386269262.db2.gz JQMOYKVOMCSHFY-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP C[NH2+]CC(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335277720 386343989 /nfs/dbraw/zinc/34/39/89/386343989.db2.gz UQNODNOYVXWRAK-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CC(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335277719 386344407 /nfs/dbraw/zinc/34/44/07/386344407.db2.gz UQNODNOYVXWRAK-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP CC1(C)C[N@H+](CC2CC[NH2+]CC2)CCN1 ZINC000335268898 386351641 /nfs/dbraw/zinc/35/16/41/386351641.db2.gz KABJDAUQBLZFLA-UHFFFAOYSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C1([NH3+])CCCCC1 ZINC000237098240 386355304 /nfs/dbraw/zinc/35/53/04/386355304.db2.gz ZNXSWNLTKHWJFE-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP c1ncn([C@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000647989570 386359260 /nfs/dbraw/zinc/35/92/60/386359260.db2.gz GFKUMUWPUBJHRK-QWRGUYRKSA-N 2 0 221.308 0.134 20 0 BCADRP COCCOC[C@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647890062 386359405 /nfs/dbraw/zinc/35/94/05/386359405.db2.gz KOPCVVXEGZJTMV-STQMWFEESA-N 2 0 242.363 0.581 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(C)C(=O)[C@H]2C)CC[NH2+]1 ZINC000414748054 386359848 /nfs/dbraw/zinc/35/98/48/386359848.db2.gz VWANEBGIJONVFE-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP C[N@H+](CCNC(=O)C[NH3+])Cc1ccc(F)cc1 ZINC000237142349 386360227 /nfs/dbraw/zinc/36/02/27/386360227.db2.gz BVTTYIUSPMHDCT-UHFFFAOYSA-N 2 0 239.294 0.332 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(C)C(=O)[C@@H]2C)CC[NH2+]1 ZINC000414748051 386360423 /nfs/dbraw/zinc/36/04/23/386360423.db2.gz VWANEBGIJONVFE-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000347371854 386370255 /nfs/dbraw/zinc/37/02/55/386370255.db2.gz QEHSCXBKGPHWLL-SNVBAGLBSA-N 2 0 213.325 0.278 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N(C)C1CC[NH2+]CC1 ZINC000637809910 386372631 /nfs/dbraw/zinc/37/26/31/386372631.db2.gz YFMYAIXBKLBPIW-LBPRGKRZSA-N 2 0 241.379 0.960 20 0 BCADRP CN1CCC([NH2+]C[C@H](CO)C2CC2)CC1 ZINC000336774459 386372869 /nfs/dbraw/zinc/37/28/69/386372869.db2.gz ZVINYSRPTNRUGH-LLVKDONJSA-N 2 0 212.337 0.689 20 0 BCADRP CC[NH+](CC)CCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000416786276 386380779 /nfs/dbraw/zinc/38/07/79/386380779.db2.gz CMFHSIUVJSOWLP-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000416796343 386387548 /nfs/dbraw/zinc/38/75/48/386387548.db2.gz AFOGABFQEJZQEI-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP CC[NH+](CC)CCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000416787500 386383884 /nfs/dbraw/zinc/38/38/84/386383884.db2.gz GBYZXCVOZHIINP-NSHDSACASA-N 2 0 244.383 0.611 20 0 BCADRP CC1(C)CC(NC(=O)NCC[NH3+])CC(C)(C)[NH2+]1 ZINC000416790444 386383994 /nfs/dbraw/zinc/38/39/94/386383994.db2.gz GRIIRXGBPOZHHY-UHFFFAOYSA-N 2 0 242.367 0.554 20 0 BCADRP CCc1ccc([C@@H](CNC(=O)C[NH3+])[NH+](C)C)cc1 ZINC000236991288 386334021 /nfs/dbraw/zinc/33/40/21/386334021.db2.gz JSSGCYFBAMSJAK-CYBMUJFWSA-N 2 0 249.358 0.927 20 0 BCADRP CCc1ccc([C@H](CNC(=O)C[NH3+])[NH+](C)C)cc1 ZINC000236996767 386335712 /nfs/dbraw/zinc/33/57/12/386335712.db2.gz JSSGCYFBAMSJAK-ZDUSSCGKSA-N 2 0 249.358 0.927 20 0 BCADRP COCCN1CCC[C@@H]1C[NH2+]C1CC(OC)C1 ZINC000347340385 386335648 /nfs/dbraw/zinc/33/56/48/386335648.db2.gz ODRLDNNJRVBECZ-OTTFEQOBSA-N 2 0 242.363 0.864 20 0 BCADRP CC[N@H+](CCOCCO)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414743554 386336124 /nfs/dbraw/zinc/33/61/24/386336124.db2.gz HIDLTOBFFYLGOG-OLZOCXBDSA-N 2 0 244.379 0.705 20 0 BCADRP Cc1nocc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000339277010 386339097 /nfs/dbraw/zinc/33/90/97/386339097.db2.gz WIUGZBLHKSQECD-UHFFFAOYSA-N 2 0 239.319 0.529 20 0 BCADRP C[C@@H](O)CC[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000336712105 386436696 /nfs/dbraw/zinc/43/66/96/386436696.db2.gz NSVIFZLPMBMBMN-LLVKDONJSA-N 2 0 238.335 0.298 20 0 BCADRP CC[NH+](CC)[C@@H](C)CNC(=O)NCCCC[NH3+] ZINC000417003302 386437099 /nfs/dbraw/zinc/43/70/99/386437099.db2.gz HAUOWHIZZMYPIC-NSHDSACASA-N 2 0 244.383 0.755 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)CC[NH3+] ZINC000417002833 386437242 /nfs/dbraw/zinc/43/72/42/386437242.db2.gz GUVULCHYJYQQCJ-GHMZBOCLSA-N 2 0 244.383 0.753 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)c1ccccc1CC[NH3+] ZINC000519417997 386437546 /nfs/dbraw/zinc/43/75/46/386437546.db2.gz YIPMJNRJRKCIBG-ZDUSSCGKSA-N 2 0 249.358 0.901 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)N1CC[NH2+]CC1 ZINC000417607359 386441162 /nfs/dbraw/zinc/44/11/62/386441162.db2.gz GMKMLIBZLRJKAO-UHFFFAOYSA-N 2 0 242.367 0.333 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)NC[C@H](C)C[NH3+] ZINC000417606399 386441469 /nfs/dbraw/zinc/44/14/69/386441469.db2.gz DVMODRLDDLOFAO-LLVKDONJSA-N 2 0 244.383 0.612 20 0 BCADRP C[NH+](C)C[C@H]1CCN(CCc2cn[nH]n2)C1 ZINC000647970927 386442555 /nfs/dbraw/zinc/44/25/55/386442555.db2.gz LTNKJZOTHLZYFW-SNVBAGLBSA-N 2 0 223.324 0.231 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)NCC[C@H](C)[NH3+] ZINC000417611371 386446615 /nfs/dbraw/zinc/44/66/15/386446615.db2.gz PAIJDCZSLDITQD-NSHDSACASA-N 2 0 244.383 0.755 20 0 BCADRP C[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000647992608 386447396 /nfs/dbraw/zinc/44/73/96/386447396.db2.gz RIZUEMNSFVPHKA-IJLUTSLNSA-N 2 0 211.353 0.513 20 0 BCADRP CC[N@H+](CCNC(=O)C1(C)C[NH2+]C1)C1CC1 ZINC000399192354 386449326 /nfs/dbraw/zinc/44/93/26/386449326.db2.gz JRMCUJQMELLODK-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCC[NH+](CC)CC ZINC000416801300 386390445 /nfs/dbraw/zinc/39/04/45/386390445.db2.gz SCVCQXFDNFOYOL-JTQLQIEISA-N 2 0 230.356 0.365 20 0 BCADRP C[C@H](C[NH3+])NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000416831238 386393090 /nfs/dbraw/zinc/39/30/90/386393090.db2.gz SMPYCADFFNPVIL-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000347417946 386397110 /nfs/dbraw/zinc/39/71/10/386397110.db2.gz QHNTVHVSNSQIIM-UPJWGTAASA-N 2 0 244.379 0.704 20 0 BCADRP CC[NH+](CC)CCNC(=O)NCC1([NH3+])CCC1 ZINC000416806803 386397114 /nfs/dbraw/zinc/39/71/14/386397114.db2.gz ZWAQEWOROIQXMG-UHFFFAOYSA-N 2 0 242.367 0.509 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000414771077 386451296 /nfs/dbraw/zinc/45/12/96/386451296.db2.gz PBJNGBBOGCQLTK-UPJWGTAASA-N 2 0 225.380 0.901 20 0 BCADRP CC(C)[NH+](CCNC(=O)N(C)CC[NH3+])C(C)C ZINC000416818137 386400725 /nfs/dbraw/zinc/40/07/25/386400725.db2.gz ZLTLDYLAVJOPIV-UHFFFAOYSA-N 2 0 244.383 0.705 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)NCCCC[NH3+] ZINC000417612926 386451380 /nfs/dbraw/zinc/45/13/80/386451380.db2.gz RVLNKLHTPLQULG-UHFFFAOYSA-N 2 0 244.383 0.756 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)CC[NH2+]1 ZINC000414759395 386410516 /nfs/dbraw/zinc/41/05/16/386410516.db2.gz OERQXWCSONKEJI-LPWJVIDDSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)CC[NH2+]1 ZINC000414759393 386411325 /nfs/dbraw/zinc/41/13/25/386411325.db2.gz OERQXWCSONKEJI-FDYHWXHSSA-N 2 0 242.363 0.456 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)C[NH3+] ZINC000417583695 386413627 /nfs/dbraw/zinc/41/36/27/386413627.db2.gz LILPPBQMZNCHQV-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP [NH3+][C@@H](CC(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000237899953 386421846 /nfs/dbraw/zinc/42/18/46/386421846.db2.gz VODCEYRTSYGTJG-STQMWFEESA-N 2 0 247.342 0.945 20 0 BCADRP C[NH+]1CCC(NC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000134479125 386422492 /nfs/dbraw/zinc/42/24/92/386422492.db2.gz UYNJWPJEFFLTPT-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@]1(C(=O)N2CC[NH2+][C@H](C)C2)CCC[NH2+]1 ZINC000134368388 386426346 /nfs/dbraw/zinc/42/63/46/386426346.db2.gz DPAUJIOXNMFHOU-ZYHUDNBSSA-N 2 0 225.336 0.339 20 0 BCADRP COC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339426405 386427504 /nfs/dbraw/zinc/42/75/04/386427504.db2.gz LORLQAZYWFVHDG-CHWSQXEVSA-N 2 0 242.363 0.411 20 0 BCADRP CC1(C(=O)NCCC[NH+]2CCCCC2)C[NH2+]C1 ZINC000399160934 386427789 /nfs/dbraw/zinc/42/77/89/386427789.db2.gz BVDQNPOYMVBJMG-UHFFFAOYSA-N 2 0 239.363 0.588 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[NH2+]1 ZINC000414763439 386427883 /nfs/dbraw/zinc/42/78/83/386427883.db2.gz CMNVPBWNGDWVNS-SYQHCUMBSA-N 3 0 237.391 0.916 20 0 BCADRP C[N@H+](CCCCO)CCCN1CC[NH+](C)CC1 ZINC000336713742 386428535 /nfs/dbraw/zinc/42/85/35/386428535.db2.gz QFJXPUGNXXWEOS-UHFFFAOYSA-N 2 0 243.395 0.328 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)C[NH3+] ZINC000417002711 386435950 /nfs/dbraw/zinc/43/59/50/386435950.db2.gz GJXDNAXWNLENFA-VHSXEESVSA-N 2 0 230.356 0.363 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000094648193 386466104 /nfs/dbraw/zinc/46/61/04/386466104.db2.gz UOLXMTUOEDXJKA-NWDGAFQWSA-N 2 0 241.379 0.831 20 0 BCADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCCC[NH3+])C1 ZINC000417245899 386466948 /nfs/dbraw/zinc/46/69/48/386466948.db2.gz ZQUZTGMOWWRBKG-LLVKDONJSA-N 2 0 242.367 0.366 20 0 BCADRP CN(Cc1nccn1C)C(=O)CCn1ccnc1 ZINC000299568470 386466887 /nfs/dbraw/zinc/46/68/87/386466887.db2.gz HLFZNBCPMHBLKH-UHFFFAOYSA-N 2 0 247.302 0.665 20 0 BCADRP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414773450 386467285 /nfs/dbraw/zinc/46/72/85/386467285.db2.gz AKJNNQWATMFGBP-AJNGGQMLSA-N 2 0 246.354 0.960 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000417276327 386468763 /nfs/dbraw/zinc/46/87/63/386468763.db2.gz DOLXLPBYFCKDPS-ZJUUUORDSA-N 2 0 228.340 0.117 20 0 BCADRP CCN1C[C@H]([NH2+][C@@H]2CCN(C)[C@@H](C)C2)CC1=O ZINC000391591574 386470332 /nfs/dbraw/zinc/47/03/32/386470332.db2.gz FLRRSVHXQFANSW-QJPTWQEYSA-N 2 0 239.363 0.680 20 0 BCADRP O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CC[NH2+]CC1 ZINC000366412915 386470458 /nfs/dbraw/zinc/47/04/58/386470458.db2.gz FWQWRUVPFIOEQC-NWDGAFQWSA-N 2 0 237.347 0.293 20 0 BCADRP Cn1ncnc1CN1CCC(c2c[nH]cn2)CC1 ZINC000336736966 386474479 /nfs/dbraw/zinc/47/44/79/386474479.db2.gz ZFLQBQHRWZZAOO-UHFFFAOYSA-N 2 0 246.318 0.918 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000417286448 386476007 /nfs/dbraw/zinc/47/60/07/386476007.db2.gz MXKDHLFRMPPUHX-QWRGUYRKSA-N 2 0 242.367 0.235 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCC1 ZINC000335425497 386477495 /nfs/dbraw/zinc/47/74/95/386477495.db2.gz XSBXOKFOEAOEEJ-UWVGGRQHSA-N 2 0 223.320 0.078 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCC1 ZINC000335425496 386477936 /nfs/dbraw/zinc/47/79/36/386477936.db2.gz XSBXOKFOEAOEEJ-NXEZZACHSA-N 2 0 223.320 0.078 20 0 BCADRP CO[C@@H]1CCN(CC[NH2+]C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000519542788 386479930 /nfs/dbraw/zinc/47/99/30/386479930.db2.gz HZBRERIYEGVZIN-VXGBXAGGSA-N 2 0 243.395 0.813 20 0 BCADRP C[C@H](NC1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000335453504 386529066 /nfs/dbraw/zinc/52/90/66/386529066.db2.gz WFRRIQSGLVKMAQ-JQWIXIFHSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)c1csc(CC[NH3+])n1 ZINC000519551075 386485613 /nfs/dbraw/zinc/48/56/13/386485613.db2.gz SXFMWHVJEDDHTB-ZETCQYMHSA-N 2 0 242.348 0.111 20 0 BCADRP C[C@H](CNC(=O)CC[NH3+])C[NH+]1CCCC1 ZINC000059930718 386486091 /nfs/dbraw/zinc/48/60/91/386486091.db2.gz LTJVTJGAVOCFCK-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP CC1(C(=O)N2CCC3(CC[NH2+]C3)CC2)C[NH2+]C1 ZINC000335432122 386488207 /nfs/dbraw/zinc/48/82/07/386488207.db2.gz ASCGUSYYFKLNTN-UHFFFAOYSA-N 2 0 237.347 0.198 20 0 BCADRP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)[C@H]1CC[NH2+]1 ZINC000335431735 386489114 /nfs/dbraw/zinc/48/91/14/386489114.db2.gz YKUFOCDPJKTVGU-OLZOCXBDSA-N 2 0 245.326 0.433 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@H](C)CC[NH+](C)C ZINC000417321121 386495931 /nfs/dbraw/zinc/49/59/31/386495931.db2.gz RXCBJFBGZYPNRV-SNVBAGLBSA-N 2 0 230.356 0.235 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000417319227 386496316 /nfs/dbraw/zinc/49/63/16/386496316.db2.gz NGJVJQFAKOBPGD-GHMZBOCLSA-N 2 0 242.367 0.330 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000417320769 386497111 /nfs/dbraw/zinc/49/71/11/386497111.db2.gz RGUYMGFRQXXMBW-JTQLQIEISA-N 2 0 230.356 0.235 20 0 BCADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH3+] ZINC000417323212 386498694 /nfs/dbraw/zinc/49/86/94/386498694.db2.gz GHJVKUICCXTAJF-GHMZBOCLSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417323508 386499660 /nfs/dbraw/zinc/49/96/60/386499660.db2.gz YIFAFDMYKBMFDC-UTLUCORTSA-N 2 0 230.356 0.362 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000519597345 386501112 /nfs/dbraw/zinc/50/11/12/386501112.db2.gz UALRDXKMDKUOHX-GHMZBOCLSA-N 2 0 242.367 0.555 20 0 BCADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC[NH2+]C1 ZINC000062113081 386501988 /nfs/dbraw/zinc/50/19/88/386501988.db2.gz ANLZIXNSLIBXMF-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335442274 386502063 /nfs/dbraw/zinc/50/20/63/386502063.db2.gz FGYTXYICAOVRDL-NEPJUHHUSA-N 2 0 239.363 0.396 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335442277 386502083 /nfs/dbraw/zinc/50/20/83/386502083.db2.gz FGYTXYICAOVRDL-VXGBXAGGSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)C[NH+]1CCCC1 ZINC000062117035 386502831 /nfs/dbraw/zinc/50/28/31/386502831.db2.gz ZUBMTSCRLSGBJY-VXGBXAGGSA-N 2 0 239.363 0.444 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000335443428 386503813 /nfs/dbraw/zinc/50/38/13/386503813.db2.gz IDIKEOHKLIMRJZ-GFCCVEGCSA-N 2 0 247.342 0.727 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000335447949 386514174 /nfs/dbraw/zinc/51/41/74/386514174.db2.gz YAQBEIZOWKVFDB-ZWNOBZJWSA-N 2 0 247.342 0.679 20 0 BCADRP Cc1c[nH]nc1CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000335448310 386517989 /nfs/dbraw/zinc/51/79/89/386517989.db2.gz MNTKLOFFIMRYKX-UWVGGRQHSA-N 2 0 208.309 0.887 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]([NH3+])CC(F)F ZINC000519655076 386518609 /nfs/dbraw/zinc/51/86/09/386518609.db2.gz WSNUDMAQYMTKRH-RQJHMYQMSA-N 2 0 235.278 0.226 20 0 BCADRP CC1(C)[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]2CCO[C@H]21 ZINC000415037290 386524486 /nfs/dbraw/zinc/52/44/86/386524486.db2.gz MVAGDSPGYVONFW-WGWHJZDNSA-N 2 0 222.332 0.607 20 0 BCADRP C1CC2(C1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)[C@H]1CCO[C@@H]12 ZINC000415041039 386526209 /nfs/dbraw/zinc/52/62/09/386526209.db2.gz QPIDGNBEBHVDEQ-QXMWZZNTSA-N 2 0 234.343 0.751 20 0 BCADRP C[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000417143372 386454044 /nfs/dbraw/zinc/45/40/44/386454044.db2.gz UJDXYTHGUNMPPW-MNOVXSKESA-N 2 0 240.351 0.132 20 0 BCADRP [NH3+]CCCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000417141606 386454070 /nfs/dbraw/zinc/45/40/70/386454070.db2.gz RMTDBRICGHLAMP-QWRGUYRKSA-N 2 0 240.351 0.261 20 0 BCADRP C[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000417143371 386455043 /nfs/dbraw/zinc/45/50/43/386455043.db2.gz UJDXYTHGUNMPPW-GHMZBOCLSA-N 2 0 240.351 0.132 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1(C)C[NH2+]C1 ZINC000399216037 386458507 /nfs/dbraw/zinc/45/85/07/386458507.db2.gz HRXVYEMUBSZCHD-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H](CNC(=O)C1(C)C[NH2+]C1)[N@H+](C)C1CC1 ZINC000399222748 386460489 /nfs/dbraw/zinc/46/04/89/386460489.db2.gz WNSLAGJOLIZJRM-VIFPVBQESA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])[NH+](C)C ZINC000638422376 386461220 /nfs/dbraw/zinc/46/12/20/386461220.db2.gz AWOWWUPGQVGHPQ-WOPDTQHZSA-N 2 0 241.379 0.912 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000417625481 386462371 /nfs/dbraw/zinc/46/23/71/386462371.db2.gz MKONLCXFLUWLNA-JTQLQIEISA-N 2 0 240.351 0.084 20 0 BCADRP C[C@@H]1CCN(C(=O)CCC2C[NH2+]C2)[C@H](C[NH3+])C1 ZINC000638423118 386462826 /nfs/dbraw/zinc/46/28/26/386462826.db2.gz OOZHWXMOKXOJLT-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)C1 ZINC000647779786 386583171 /nfs/dbraw/zinc/58/31/71/386583171.db2.gz QZAFMLNPGAEUSZ-SRVKXCTJSA-N 2 0 239.363 0.442 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000335455253 386531156 /nfs/dbraw/zinc/53/11/56/386531156.db2.gz QMJONOMEJYDCNN-AOOOYVTPSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]CC[C@H](NC(=O)C[C@H]1CCC[NH2+]1)C(F)F ZINC000519716462 386534739 /nfs/dbraw/zinc/53/47/39/386534739.db2.gz TXINBLKAQLCCHP-SFYZADRCSA-N 2 0 235.278 0.227 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)CCC[NH3+])C1 ZINC000062972711 386535669 /nfs/dbraw/zinc/53/56/69/386535669.db2.gz YXVYQCVEVVCZGD-LLVKDONJSA-N 2 0 227.352 0.668 20 0 BCADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)Cn1cccn1 ZINC000414789123 386536375 /nfs/dbraw/zinc/53/63/75/386536375.db2.gz FALZLFYDFVIBCT-QWRGUYRKSA-N 2 0 210.325 0.845 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415056530 386536568 /nfs/dbraw/zinc/53/65/68/386536568.db2.gz QYPBQKUWGPTRCQ-RHYQMDGZSA-N 3 0 211.353 0.796 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000262631492 386538572 /nfs/dbraw/zinc/53/85/72/386538572.db2.gz FKNVQCUKBXYISZ-VWYCJHECSA-N 2 0 237.347 0.337 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000262635497 386538681 /nfs/dbraw/zinc/53/86/81/386538681.db2.gz HFQKJMFNCBEQRD-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000335459722 386540440 /nfs/dbraw/zinc/54/04/40/386540440.db2.gz CHMUIWXSWMYHCR-WCBMZHEXSA-N 2 0 219.288 0.250 20 0 BCADRP CC(C)(C)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178314 386541770 /nfs/dbraw/zinc/54/17/70/386541770.db2.gz LKUJTPUVQUSPFM-NSHDSACASA-N 2 0 241.379 0.819 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000335463007 386549056 /nfs/dbraw/zinc/54/90/56/386549056.db2.gz JKUKJGKZCWXGEJ-VHSXEESVSA-N 2 0 225.336 0.276 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000335465383 386551771 /nfs/dbraw/zinc/55/17/71/386551771.db2.gz QEZOHZOWUPSUDO-AOOOYVTPSA-N 2 0 225.336 0.502 20 0 BCADRP CN(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000237091058 386557406 /nfs/dbraw/zinc/55/74/06/386557406.db2.gz PLPLJRAZLCJFBF-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H](CNC(=O)N(C)C1CC([NH3+])C1)[NH+](C)C ZINC000332060905 386558449 /nfs/dbraw/zinc/55/84/49/386558449.db2.gz PMKYESMFMJCHDM-IDKOKCKLSA-N 2 0 228.340 0.068 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000417690164 386558492 /nfs/dbraw/zinc/55/84/92/386558492.db2.gz UMKVYFSOOMPBBS-VHSXEESVSA-N 2 0 240.351 0.260 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000366683043 386560568 /nfs/dbraw/zinc/56/05/68/386560568.db2.gz RJXISEQIIWVWTQ-WGBDABJCSA-N 2 0 237.347 0.372 20 0 BCADRP [NH3+]CCN1CCc2ccccc2[C@H]1C[NH3+] ZINC000335407912 386569292 /nfs/dbraw/zinc/56/92/92/386569292.db2.gz OQBJLPTYOSBBBU-GFCCVEGCSA-N 2 0 205.305 0.503 20 0 BCADRP CC(C)C[C@H]([NH3+])CNC[C@H]([NH3+])C(C)C ZINC000414795113 386571728 /nfs/dbraw/zinc/57/17/28/386571728.db2.gz MMKAHDWCGQIHJE-QWRGUYRKSA-N 2 0 201.358 0.933 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000366493839 386597931 /nfs/dbraw/zinc/59/79/31/386597931.db2.gz BBKJLRRKSCWXCI-WRWGMCAJSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000070582619 386572278 /nfs/dbraw/zinc/57/22/78/386572278.db2.gz ROMJXFPKZMEMHX-GXSJLCMTSA-N 2 0 225.336 0.276 20 0 BCADRP COCC(C)(C)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415112971 386619518 /nfs/dbraw/zinc/61/95/18/386619518.db2.gz TYRQNPNKGJUYFV-LLVKDONJSA-N 2 0 230.352 0.709 20 0 BCADRP C[C@H](O)C[N@H+](C)[C@H]1CCC[NH+](C[C@H](C)O)CC1 ZINC000337183128 386655649 /nfs/dbraw/zinc/65/56/49/386655649.db2.gz NLKRIBFZIWECIU-AVGNSLFASA-N 2 0 244.379 0.534 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415129376 386636175 /nfs/dbraw/zinc/63/61/75/386636175.db2.gz UNTBKIHPARXERB-RYUDHWBXSA-N 3 0 213.369 0.916 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000335505812 386636466 /nfs/dbraw/zinc/63/64/66/386636466.db2.gz SUXKECKJDOKYLI-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C12CCC[NH+]1CCC2 ZINC000335506655 386639361 /nfs/dbraw/zinc/63/93/61/386639361.db2.gz CSWYXZUMMSOKHI-MNOVXSKESA-N 2 0 237.347 0.563 20 0 BCADRP C[C@@H](O)[C@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000415143271 386640722 /nfs/dbraw/zinc/64/07/22/386640722.db2.gz SMZHTHSANMEWOX-FDYHWXHSSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942843 386647631 /nfs/dbraw/zinc/64/76/31/386647631.db2.gz SKWZOSIVWFMXHE-NXEZZACHSA-N 2 0 211.309 0.030 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000335423630 386599448 /nfs/dbraw/zinc/59/94/48/386599448.db2.gz NVDBEVHQTSCKKZ-BXKDBHETSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)([NH3+])C[NH2+]CCN1CCOC(C)(C)C1 ZINC000415085992 386603761 /nfs/dbraw/zinc/60/37/61/386603761.db2.gz RLTYVEHCTJTFMS-UHFFFAOYSA-N 2 0 229.368 0.424 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000366498488 386606317 /nfs/dbraw/zinc/60/63/17/386606317.db2.gz TYNLBSAKSQPWRY-WOPDTQHZSA-N 2 0 237.347 0.196 20 0 BCADRP Cc1nc[nH]c1CC(=O)N[C@H](C)CC[NH+](C)C ZINC000278967441 386612767 /nfs/dbraw/zinc/61/27/67/386612767.db2.gz XFGMUJHNKVSQMT-SECBINFHSA-N 2 0 238.335 0.717 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000335495980 386618393 /nfs/dbraw/zinc/61/83/93/386618393.db2.gz OSOIXLXGPFUFPL-IUCAKERBSA-N 2 0 213.325 0.086 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000335520554 386659270 /nfs/dbraw/zinc/65/92/70/386659270.db2.gz HGNCJYBSJWPIHP-UHFFFAOYSA-N 2 0 239.363 0.811 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000335522454 386663838 /nfs/dbraw/zinc/66/38/38/386663838.db2.gz VHJJPNASEMNHHG-GFCCVEGCSA-N 2 0 241.379 0.912 20 0 BCADRP C[NH2+]CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647979562 386665170 /nfs/dbraw/zinc/66/51/70/386665170.db2.gz SQJHNFSWDOFUPP-TXEJJXNPSA-N 3 0 211.353 0.527 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C)[NH3+])C1 ZINC000062972605 386668202 /nfs/dbraw/zinc/66/82/02/386668202.db2.gz RNWQBLBLRWLBGO-NXEZZACHSA-N 2 0 213.325 0.276 20 0 BCADRP Cc1ccc(O)c(CNC[C@H]2CCC[NH2+]2)n1 ZINC000414822296 386670173 /nfs/dbraw/zinc/67/01/73/386670173.db2.gz DOSWDIAOYNTEJT-SNVBAGLBSA-N 2 0 221.304 0.937 20 0 BCADRP C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)C[NH+](C)C ZINC000425934034 386670899 /nfs/dbraw/zinc/67/08/99/386670899.db2.gz YSLHEFXSOKKABM-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000335481698 386708915 /nfs/dbraw/zinc/70/89/15/386708915.db2.gz YAHVLGGUPNEANZ-JTQLQIEISA-N 2 0 227.352 0.666 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000357081440 386710652 /nfs/dbraw/zinc/71/06/52/386710652.db2.gz GWHNSGZFPYLPKB-NWDGAFQWSA-N 2 0 228.336 0.463 20 0 BCADRP [NH3+]CCOCC[NH+]1CCC(OCC2CC2)CC1 ZINC000357075672 386710788 /nfs/dbraw/zinc/71/07/88/386710788.db2.gz NXIIGESEPBCZON-UHFFFAOYSA-N 2 0 242.363 0.853 20 0 BCADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CC[NH3+] ZINC000335473797 386696356 /nfs/dbraw/zinc/69/63/56/386696356.db2.gz FPDFZILJKUZISC-SNVBAGLBSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000335475444 386698387 /nfs/dbraw/zinc/69/83/87/386698387.db2.gz AJUWTIBKNKASMM-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)CCC[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000336649004 386701932 /nfs/dbraw/zinc/70/19/32/386701932.db2.gz CVMWYGXUTQPIQJ-QWRGUYRKSA-N 2 0 200.326 0.593 20 0 BCADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000414830122 386706587 /nfs/dbraw/zinc/70/65/87/386706587.db2.gz BVWPXXWWDAYVOP-SNVBAGLBSA-N 2 0 235.331 0.731 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417776710 386708503 /nfs/dbraw/zinc/70/85/03/386708503.db2.gz BGYLSGGILXHIOE-SNVBAGLBSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@]1(F)C[NH2+]CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000335481936 386708685 /nfs/dbraw/zinc/70/86/85/386708685.db2.gz XYHWMNZEYHNVRM-NEPJUHHUSA-N 2 0 229.343 0.619 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)CC[NH2+]C ZINC000357171350 386732234 /nfs/dbraw/zinc/73/22/34/386732234.db2.gz BAMJTLAQUUZZLG-UHFFFAOYSA-N 2 0 215.341 0.444 20 0 BCADRP C[C@@]1(C[NH2+]CC[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000414837496 386733340 /nfs/dbraw/zinc/73/33/40/386733340.db2.gz KGAVLDYMIXNRPM-OLZOCXBDSA-N 3 0 225.380 0.965 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H](C)C[NH3+] ZINC000357202426 386736580 /nfs/dbraw/zinc/73/65/80/386736580.db2.gz QKSPVTKWDJXOAB-JTQLQIEISA-N 2 0 215.341 0.429 20 0 BCADRP C[NH+]1CCC(CCNC(=O)CCC[NH3+])CC1 ZINC000122179689 386740855 /nfs/dbraw/zinc/74/08/55/386740855.db2.gz YNBKOZQSZZBTOW-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP [NH3+]CCOCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357102958 386718131 /nfs/dbraw/zinc/71/81/31/386718131.db2.gz JMHCZOSMAREZSX-ZDUSSCGKSA-N 3 0 241.379 0.283 20 0 BCADRP NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000044529700 386723926 /nfs/dbraw/zinc/72/39/26/386723926.db2.gz VBQRKEBWEQCDFM-GFCCVEGCSA-N 2 0 247.342 0.956 20 0 BCADRP C[C@@H](CC(=O)NCC[NH+](C)C)C1CC[NH2+]CC1 ZINC000357248630 386744575 /nfs/dbraw/zinc/74/45/75/386744575.db2.gz RISAXVRSWJDVFU-NSHDSACASA-N 2 0 241.379 0.690 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000357246598 386744778 /nfs/dbraw/zinc/74/47/78/386744778.db2.gz YHAQOZXAIBOEAY-NWDGAFQWSA-N 2 0 239.363 0.526 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000357237781 386746403 /nfs/dbraw/zinc/74/64/03/386746403.db2.gz FWEIICJVLYKWSU-NQBHXWOUSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCC1 ZINC000638508634 386747647 /nfs/dbraw/zinc/74/76/47/386747647.db2.gz OOMWGZNJKAZQTH-SECBINFHSA-N 2 0 223.320 0.269 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000357258655 386749105 /nfs/dbraw/zinc/74/91/05/386749105.db2.gz RQSJMCCWSIOTRS-CKYFFXLPSA-N 2 0 225.336 0.230 20 0 BCADRP C[NH+](C)C1(CNC(=O)C[NH3+])Cc2ccccc2C1 ZINC000269246065 386766049 /nfs/dbraw/zinc/76/60/49/386766049.db2.gz DSZVHCDHLYFAHE-UHFFFAOYSA-N 2 0 247.342 0.161 20 0 BCADRP O=C1NCC[C@H]1[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000269253530 386766256 /nfs/dbraw/zinc/76/62/56/386766256.db2.gz CLUQFIWGGAKRNJ-NXEZZACHSA-N 2 0 234.303 0.478 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@]12C[NH2+]C[C@@H]1CCCC2 ZINC000357231465 386742081 /nfs/dbraw/zinc/74/20/81/386742081.db2.gz ZVQHVWYZJFMHDG-MDZLAQPJSA-N 2 0 239.363 0.477 20 0 BCADRP C[C@H](O)C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)CO ZINC000190873572 386742409 /nfs/dbraw/zinc/74/24/09/386742409.db2.gz AXHHHVPRXONZHJ-AVGNSLFASA-N 2 0 244.379 0.534 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000417810886 386789713 /nfs/dbraw/zinc/78/97/13/386789713.db2.gz IZQUPTVJIHVSSF-WYUUTHIRSA-N 2 0 239.363 0.570 20 0 BCADRP CN(CC[NH3+])C(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000417830461 386791546 /nfs/dbraw/zinc/79/15/46/386791546.db2.gz GZEHMYZIRGVCRA-NSHDSACASA-N 2 0 239.294 0.285 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000417829263 386791658 /nfs/dbraw/zinc/79/16/58/386791658.db2.gz GGBHUZDPYZJEPB-SRRSOLGSSA-N 2 0 239.363 0.842 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417834686 386792555 /nfs/dbraw/zinc/79/25/55/386792555.db2.gz NGLJKVQCBPEVKT-VHSXEESVSA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)C[C@H]([NH3+])CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000414934221 386796812 /nfs/dbraw/zinc/79/68/12/386796812.db2.gz SRCKGMWQXUCFAY-GRYCIOLGSA-N 2 0 213.369 0.947 20 0 BCADRP CN(C(=O)C[NH2+]CC1CC1)[C@H](C[NH3+])C1CC1 ZINC000417836914 386795702 /nfs/dbraw/zinc/79/57/02/386795702.db2.gz LVKUZBVGQPAYCZ-LLVKDONJSA-N 2 0 225.336 0.182 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000417837508 386795853 /nfs/dbraw/zinc/79/58/53/386795853.db2.gz MMEDTWJRAYMNGP-SDDRHHMPSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000417836934 386796127 /nfs/dbraw/zinc/79/61/27/386796127.db2.gz LWIZWXRTVUGVAI-JBLDHEPKSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](CO)O2)CC[N@@H+]1C ZINC000340415943 386778661 /nfs/dbraw/zinc/77/86/61/386778661.db2.gz YWIUPJCGHNAPEE-FVCCEPFGSA-N 2 0 242.363 0.599 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000417812607 386780589 /nfs/dbraw/zinc/78/05/89/386780589.db2.gz PVRZPUMMMGLRCP-MIMYLULJSA-N 2 0 225.336 0.228 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000417839201 386796395 /nfs/dbraw/zinc/79/63/95/386796395.db2.gz NLVDHKJLFHEDLJ-GXSJLCMTSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C1 ZINC000417813080 386781471 /nfs/dbraw/zinc/78/14/71/386781471.db2.gz QTMFNARCDMUJCV-KKOKHZNYSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000417827129 386784549 /nfs/dbraw/zinc/78/45/49/386784549.db2.gz CVAPQGDUEUNYCU-GRYCIOLGSA-N 2 0 239.363 0.572 20 0 BCADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)CC[NH3+] ZINC000417827071 386785156 /nfs/dbraw/zinc/78/51/56/386785156.db2.gz FFTJFIIPYIBZOQ-LBPRGKRZSA-N 2 0 235.331 0.714 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)NCCC[NH3+] ZINC000417809314 386786677 /nfs/dbraw/zinc/78/66/77/386786677.db2.gz HCIZVRBSRGQVIP-UHFFFAOYSA-N 2 0 230.356 0.366 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417837016 386796832 /nfs/dbraw/zinc/79/68/32/386796832.db2.gz PBSBCOIGJSZNBY-JTQLQIEISA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)NCCCC[NH3+])CCC[N@@H+]1C ZINC000418001879 386819719 /nfs/dbraw/zinc/81/97/19/386819719.db2.gz LHSVKJZYNUJREQ-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1C[NH3+] ZINC000417836991 386797199 /nfs/dbraw/zinc/79/71/99/386797199.db2.gz MDBITOVOIIZNDV-DCAQKATOSA-N 2 0 225.336 0.182 20 0 BCADRP CN(C(=O)C[NH2+]CC1CC1)[C@@H](C[NH3+])C1CC1 ZINC000417836915 386797860 /nfs/dbraw/zinc/79/78/60/386797860.db2.gz LVKUZBVGQPAYCZ-NSHDSACASA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]2(C)CC[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000417839364 386798028 /nfs/dbraw/zinc/79/80/28/386798028.db2.gz NTBKVXWHCCBOMV-RAIGVLPGSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417844409 386799574 /nfs/dbraw/zinc/79/95/74/386799574.db2.gz WPDHOFHCCYFRBX-WCFLWFBJSA-N 2 0 247.342 0.596 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417841824 386799901 /nfs/dbraw/zinc/79/99/01/386799901.db2.gz UGZSROQCRDBSLF-CABZTGNLSA-N 2 0 239.363 0.761 20 0 BCADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H](C)[NH3+] ZINC000417840836 386800123 /nfs/dbraw/zinc/80/01/23/386800123.db2.gz SMLAGOPAAJLYBG-BXKDBHETSA-N 2 0 235.331 0.712 20 0 BCADRP CN(CC[NH3+])C(=O)CC1(C[NH3+])CCCCC1 ZINC000417845143 386800628 /nfs/dbraw/zinc/80/06/28/386800628.db2.gz RYLQIAHDKNJQJD-UHFFFAOYSA-N 2 0 227.352 0.703 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cnn(C)c1 ZINC000300011575 386801874 /nfs/dbraw/zinc/80/18/74/386801874.db2.gz PBJHKBRSPOEEHF-DGCLKSJQSA-N 2 0 236.363 0.892 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417851717 386801908 /nfs/dbraw/zinc/80/19/08/386801908.db2.gz NPSLLXUORDBMPL-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@H](CC[NH3+])C(F)F)C1 ZINC000417852287 386803286 /nfs/dbraw/zinc/80/32/86/386803286.db2.gz NYIFQBVVTPANSU-IWSPIJDZSA-N 2 0 249.305 0.473 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H](C(C)C)[NH+](C)C ZINC000638517271 386803828 /nfs/dbraw/zinc/80/38/28/386803828.db2.gz QEOAXAOPCPLWKI-JTQLQIEISA-N 2 0 215.341 0.380 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417846231 386804725 /nfs/dbraw/zinc/80/47/25/386804725.db2.gz YJNIEIBWBVEGAR-LLVKDONJSA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]CCNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000417850178 386807112 /nfs/dbraw/zinc/80/71/12/386807112.db2.gz MDGFOECJMLIBKP-QWRGUYRKSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)N(C)C2C[NH2+]C2)CCC[N@@H+]1C ZINC000417997358 386807430 /nfs/dbraw/zinc/80/74/30/386807430.db2.gz FTOXZAYBIPPEPS-KOLCDFICSA-N 2 0 240.351 0.082 20 0 BCADRP C[C@H]1[C@@H](NC(=O)N2CC[NH2+]CC2)CCC[N@@H+]1C ZINC000417993819 386810592 /nfs/dbraw/zinc/81/05/92/386810592.db2.gz BAKRDTIDCZEWMW-QWRGUYRKSA-N 2 0 240.351 0.084 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000414938782 386857914 /nfs/dbraw/zinc/85/79/14/386857914.db2.gz FIJJRDZQPUQFQB-QJPTWQEYSA-N 2 0 211.353 0.716 20 0 BCADRP C[NH+](C)C1(CNC(=O)[C@@H]2CC[NH2+]C2)CCCC1 ZINC000125659683 386863678 /nfs/dbraw/zinc/86/36/78/386863678.db2.gz DXABXFALIVQENQ-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP FC1(F)CC[NH2+]C[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000334833307 386872794 /nfs/dbraw/zinc/87/27/94/386872794.db2.gz OXXPLKXAMGMBOD-BDAKNGLRSA-N 2 0 219.279 0.325 20 0 BCADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH+](C)C ZINC000341285423 386876212 /nfs/dbraw/zinc/87/62/12/386876212.db2.gz YFMICWSAWOSJPN-NSHDSACASA-N 2 0 241.379 0.642 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000418010096 386881455 /nfs/dbraw/zinc/88/14/55/386881455.db2.gz VKDUBHXCHAPSGW-OUAUKWLOSA-N 2 0 242.367 0.376 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)[C@H]2CCOC2)CC[N@@H+]1C ZINC000358049302 386886081 /nfs/dbraw/zinc/88/60/81/386886081.db2.gz QSRITLQOLPTHGK-XQHKEYJVSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[C@H](C)[NH3+] ZINC000331746174 386890131 /nfs/dbraw/zinc/89/01/31/386890131.db2.gz DBYOWNLCCYCFLU-AEJSXWLSSA-N 2 0 240.351 0.258 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000331844704 386916979 /nfs/dbraw/zinc/91/69/79/386916979.db2.gz LEHAPTHFMYYZRH-QWRGUYRKSA-N 2 0 240.351 0.247 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000125905112 386917845 /nfs/dbraw/zinc/91/78/45/386917845.db2.gz BRVBVCCRVRHMHO-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP FC1(F)CC[NH2+]C[C@@H]1NCC1CC[NH2+]CC1 ZINC000334849163 386897825 /nfs/dbraw/zinc/89/78/25/386897825.db2.gz VOSKHENXSVDKIV-JTQLQIEISA-N 2 0 233.306 0.573 20 0 BCADRP C[C@H](NC[C@H]([NH3+])C1CC1)[C@H]1CCCC[NH2+]1 ZINC000331783876 386904305 /nfs/dbraw/zinc/90/43/05/386904305.db2.gz BGXZBVRMJDLEMP-ZMLRMANQSA-N 2 0 211.353 0.844 20 0 BCADRP [NH3+][C@H](C(=O)NCC1([NH3+])CCCCC1)C1CCC1 ZINC000331874304 386919797 /nfs/dbraw/zinc/91/97/97/386919797.db2.gz MKYIDRGNDAIWRM-NSHDSACASA-N 2 0 239.363 0.892 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000341521259 386921304 /nfs/dbraw/zinc/92/13/04/386921304.db2.gz XWIQDKFHRDAXJD-VXGBXAGGSA-N 2 0 241.379 0.642 20 0 BCADRP C[C@@H]1C[C@H](NC[C@@]2(O)CC[NH+](C)C2)CC[N@@H+]1C ZINC000358259724 386922145 /nfs/dbraw/zinc/92/21/45/386922145.db2.gz USEWWZSHMVCCSK-UPJWGTAASA-N 2 0 241.379 0.125 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000368126979 386944910 /nfs/dbraw/zinc/94/49/10/386944910.db2.gz VEGUXGAHUXOFCQ-SRVKXCTJSA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000368126370 386945137 /nfs/dbraw/zinc/94/51/37/386945137.db2.gz QMAHMVMPPMVUGU-UTUOFQBUSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000358412114 386952995 /nfs/dbraw/zinc/95/29/95/386952995.db2.gz XZCNQTLZORUISN-NQBHXWOUSA-N 2 0 236.363 0.891 20 0 BCADRP C[C@]1(CNCC2(C[NH3+])CC2)CCC[NH2+]C1 ZINC000332123076 386964352 /nfs/dbraw/zinc/96/43/52/386964352.db2.gz IAHJBKPQGQHKLD-NSHDSACASA-N 2 0 211.353 0.705 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]21)[NH+](C)C ZINC000368373771 386967135 /nfs/dbraw/zinc/96/71/35/386967135.db2.gz HEESXQBYDRNOGT-QJPTWQEYSA-N 2 0 239.363 0.393 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CCC[NH2+]1 ZINC000368382569 386967223 /nfs/dbraw/zinc/96/72/23/386967223.db2.gz ZLCYYIUYHUYBOJ-DMDPSCGWSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368368346 386967760 /nfs/dbraw/zinc/96/77/60/386967760.db2.gz BRKMBACWOUBSHA-OUAUKWLOSA-N 2 0 239.363 0.570 20 0 BCADRP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368388159 386969896 /nfs/dbraw/zinc/96/98/96/386969896.db2.gz PLJOUUNFVCMIHV-SRVKXCTJSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368389234 386970007 /nfs/dbraw/zinc/97/00/07/386970007.db2.gz VWLDOUVMMYKJEO-NXEZZACHSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]CC1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000334899883 386973211 /nfs/dbraw/zinc/97/32/11/386973211.db2.gz AYSAAESMRBFENA-LLVKDONJSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](COC)C1 ZINC000518990831 386975199 /nfs/dbraw/zinc/97/51/99/386975199.db2.gz SONIKZUUODTDRB-NEPJUHHUSA-N 2 0 230.352 0.315 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000332398925 386977507 /nfs/dbraw/zinc/97/75/07/386977507.db2.gz ZIRTUEKBBQXYCQ-CHWSQXEVSA-N 3 0 240.395 0.141 20 0 BCADRP C[C@@H](NCC1([NH3+])CCC1)[C@H]1CCCC[NH2+]1 ZINC000332428709 386977550 /nfs/dbraw/zinc/97/75/50/386977550.db2.gz AEDPSCMJQLIVCO-GHMZBOCLSA-N 2 0 211.353 0.988 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)CC[NH2+]C1 ZINC000368562422 386984615 /nfs/dbraw/zinc/98/46/15/386984615.db2.gz PSGUZJNSGLGXIF-UMNHJUIQSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CC(N)=O)C1 ZINC000341906114 386988442 /nfs/dbraw/zinc/98/84/42/386988442.db2.gz WTKKQLKHCXIXRH-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)CC(C)(C)[NH3+])C[C@H]1C[NH3+] ZINC000643425977 386996590 /nfs/dbraw/zinc/99/65/90/386996590.db2.gz ZROCRYJLOGMRDX-OUAUKWLOSA-N 2 0 241.379 0.946 20 0 BCADRP [NH3+][C@H](C(=O)NC[C@@H]1CCCC[NH2+]1)C1CCC1 ZINC000643426054 386997223 /nfs/dbraw/zinc/99/72/23/386997223.db2.gz XJJHSXQKIOSLCX-QWRGUYRKSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000332658834 386999228 /nfs/dbraw/zinc/99/92/28/386999228.db2.gz ODYXGVVSVXUKIT-RHYQMDGZSA-N 2 0 239.363 0.426 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+](C)C ZINC000368684619 387002012 /nfs/dbraw/zinc/00/20/12/387002012.db2.gz VQQHJUPZLJZYOE-GHMZBOCLSA-N 2 0 227.352 0.298 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000334932977 387008867 /nfs/dbraw/zinc/00/88/67/387008867.db2.gz DJIATLXHNGCHHA-QWRGUYRKSA-N 2 0 240.351 0.132 20 0 BCADRP CN1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000334929848 387004828 /nfs/dbraw/zinc/00/48/28/387004828.db2.gz QVTGMBWGJOIELT-LLVKDONJSA-N 2 0 240.351 0.038 20 0 BCADRP CN1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000334929850 387004902 /nfs/dbraw/zinc/00/49/02/387004902.db2.gz QVTGMBWGJOIELT-NSHDSACASA-N 2 0 240.351 0.038 20 0 BCADRP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000334929481 387006099 /nfs/dbraw/zinc/00/60/99/387006099.db2.gz MSIMXBFFBZUIPW-GHMZBOCLSA-N 2 0 240.351 0.084 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368184448 386948601 /nfs/dbraw/zinc/94/86/01/386948601.db2.gz KNHZBLQHYFPKPJ-NWDGAFQWSA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+]CC1(CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000514598971 387006899 /nfs/dbraw/zinc/00/68/99/387006899.db2.gz HJKLRLKVZMTTBS-JTQLQIEISA-N 2 0 237.347 0.468 20 0 BCADRP C[C@H]1C[C@@H](C[N@@H+]2CCNC(=O)C2(C)C)CC[NH2+]1 ZINC000334821370 386950085 /nfs/dbraw/zinc/95/00/85/386950085.db2.gz YAEHNNJYBUQUKS-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368210773 386950940 /nfs/dbraw/zinc/95/09/40/386950940.db2.gz DKIGZAZMDUSVOX-GMTAPVOTSA-N 2 0 237.347 0.372 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@@H+]1C ZINC000648106104 387030276 /nfs/dbraw/zinc/03/02/76/387030276.db2.gz ALKTVIIHNDQEIJ-FBIMIBRVSA-N 2 0 225.336 0.180 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000334953652 387030332 /nfs/dbraw/zinc/03/03/32/387030332.db2.gz SNSRZQIKVRHTDA-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC[NH2+]1 ZINC000334954888 387032009 /nfs/dbraw/zinc/03/20/09/387032009.db2.gz DOZYRUVQRMWWSF-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)[C@H]1CCC[NH2+]1 ZINC000648106426 387034569 /nfs/dbraw/zinc/03/45/69/387034569.db2.gz OAPOIFNGWYIABF-GFCCVEGCSA-N 2 0 246.314 0.418 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]([NH3+])C1CCC1)C1CC1 ZINC000399005608 387036146 /nfs/dbraw/zinc/03/61/46/387036146.db2.gz XRPSDWDXRPTOKL-LLVKDONJSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000648106580 387038188 /nfs/dbraw/zinc/03/81/88/387038188.db2.gz BSVWEPWUWHVURB-ZETCQYMHSA-N 2 0 220.276 0.013 20 0 BCADRP C[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000648106579 387039707 /nfs/dbraw/zinc/03/97/07/387039707.db2.gz BSVWEPWUWHVURB-SSDOTTSWSA-N 2 0 220.276 0.013 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399022270 387041360 /nfs/dbraw/zinc/04/13/60/387041360.db2.gz HSIZAGMXJATVIF-NSHDSACASA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000648106824 387041651 /nfs/dbraw/zinc/04/16/51/387041651.db2.gz ZZGCWBXFLQHFQO-SECBINFHSA-N 2 0 248.330 0.793 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399021486 387041633 /nfs/dbraw/zinc/04/16/33/387041633.db2.gz HODNJMFAVLGVDN-JTQLQIEISA-N 2 0 227.352 0.570 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399022268 387042014 /nfs/dbraw/zinc/04/20/14/387042014.db2.gz HSIZAGMXJATVIF-LLVKDONJSA-N 2 0 241.379 0.818 20 0 BCADRP CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070074084 387044111 /nfs/dbraw/zinc/04/41/11/387044111.db2.gz YMFDTEFPNHWBKD-LBPRGKRZSA-N 2 0 241.379 0.916 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648107552 387044971 /nfs/dbraw/zinc/04/49/71/387044971.db2.gz GUDNLQWZXTUCGZ-JGVFFNPUSA-N 2 0 235.278 0.085 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333652279 387048566 /nfs/dbraw/zinc/04/85/66/387048566.db2.gz JZXKECGHFYMHIY-MNOVXSKESA-N 2 0 240.351 0.261 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000648107813 387049479 /nfs/dbraw/zinc/04/94/79/387049479.db2.gz ROIZAVOMPLMWFN-UWVGGRQHSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000648107815 387049956 /nfs/dbraw/zinc/04/99/56/387049956.db2.gz ROIZAVOMPLMWFN-ZJUUUORDSA-N 2 0 227.352 0.700 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C[NH2+]CC1CC1 ZINC000359205720 387067003 /nfs/dbraw/zinc/06/70/03/387067003.db2.gz XMYCHKRHWNEHCW-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000648107858 387050636 /nfs/dbraw/zinc/05/06/36/387050636.db2.gz WKXBFRBHBWXVRI-IRCOFANPSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)N[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000333706997 387051389 /nfs/dbraw/zinc/05/13/89/387051389.db2.gz RQIHRPROKAAMJF-DCAQKATOSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])[C@@H](C)C[NH2+]1 ZINC000648107968 387051813 /nfs/dbraw/zinc/05/18/13/387051813.db2.gz HTJMBUZECWCALG-ZJUUUORDSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@]1(F)CNCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000334970791 387054490 /nfs/dbraw/zinc/05/44/90/387054490.db2.gz GIKIIHTWCUTYAM-VXGBXAGGSA-N 2 0 229.343 0.619 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000228005484 387060414 /nfs/dbraw/zinc/06/04/14/387060414.db2.gz RKTASHQZCMEGAF-MNOVXSKESA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H](O)C[C@H](C)[NH2+]Cc1cnc(N(C)C)n1C ZINC000228065491 387063884 /nfs/dbraw/zinc/06/38/84/387063884.db2.gz VRGAWYRNZWVGPS-VHSXEESVSA-N 2 0 240.351 0.735 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C[C@H]21 ZINC000648109042 387064886 /nfs/dbraw/zinc/06/48/86/387064886.db2.gz OQBLFSSATZFPBS-GRRRKWKPSA-N 2 0 249.358 0.323 20 0 BCADRP [NH3+]C[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000514603387 387009504 /nfs/dbraw/zinc/00/95/04/387009504.db2.gz HQJUVOBLPZUWBX-NEPJUHHUSA-N 2 0 211.353 0.657 20 0 BCADRP [NH3+]C[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000514603390 387009580 /nfs/dbraw/zinc/00/95/80/387009580.db2.gz HQJUVOBLPZUWBX-RYUDHWBXSA-N 2 0 211.353 0.657 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC1CC[NH2+]CC1 ZINC000514601582 387010032 /nfs/dbraw/zinc/01/00/32/387010032.db2.gz VDENFASNCJYJQA-UWVGGRQHSA-N 2 0 242.367 0.411 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000334934372 387011161 /nfs/dbraw/zinc/01/11/61/387011161.db2.gz APCOAERMMSLTSL-WDEREUQCSA-N 2 0 240.351 0.084 20 0 BCADRP CC(C)[C@@H](C(=O)NCC[NH+](C)C)[C@H](C)[NH3+] ZINC000399483420 387011764 /nfs/dbraw/zinc/01/17/64/387011764.db2.gz CUIWLXIEXGVPSN-VHSXEESVSA-N 2 0 215.341 0.284 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1NC(=O)N1CCC[NH2+]CC1 ZINC000334939734 387015851 /nfs/dbraw/zinc/01/58/51/387015851.db2.gz FFYFLNDCGPKFJP-GHMZBOCLSA-N 2 0 240.351 0.119 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000519140445 387018995 /nfs/dbraw/zinc/01/89/95/387018995.db2.gz FZIAIVBTSDLHTC-GHMZBOCLSA-N 2 0 225.336 0.244 20 0 BCADRP CC1=CC[N@H+](CCNC(=O)N(C)CC[NH3+])CC1 ZINC000418023636 387019126 /nfs/dbraw/zinc/01/91/26/387019126.db2.gz LWUCHTIGHJBKRE-UHFFFAOYSA-N 2 0 240.351 0.239 20 0 BCADRP C[N@H+](CCOCC[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000519156724 387020447 /nfs/dbraw/zinc/02/04/47/387020447.db2.gz IDBXLUPFYLVAAR-FOSCPWQOSA-N 3 0 227.352 0.177 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648103895 387021442 /nfs/dbraw/zinc/02/14/42/387021442.db2.gz DYRPMRSNVWGSCU-OPRDCNLKSA-N 2 0 213.325 0.038 20 0 BCADRP CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000648105257 387022426 /nfs/dbraw/zinc/02/24/26/387022426.db2.gz JBOOBOVPCCXUTN-YNPAXWQDSA-N 2 0 249.358 0.193 20 0 BCADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CC1CC1 ZINC000053298721 387023136 /nfs/dbraw/zinc/02/31/36/387023136.db2.gz NQGRPWLXWSRODC-UHFFFAOYSA-N 2 0 225.336 0.150 20 0 BCADRP COC[C@H]1CCN1Cc1cnc(N(C)C)n1C ZINC000425367067 387024854 /nfs/dbraw/zinc/02/48/54/387024854.db2.gz GVBCNYMUVQYFCZ-SNVBAGLBSA-N 2 0 238.335 0.707 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000519180017 387029868 /nfs/dbraw/zinc/02/98/68/387029868.db2.gz GJYUTDRFEOVILI-DTWKUNHWSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C2(C[NH3+])CCCC2)CC[NH2+]1 ZINC000336229370 387068848 /nfs/dbraw/zinc/06/88/48/387068848.db2.gz BXMDABHDNSNSAJ-GHMZBOCLSA-N 2 0 239.363 0.762 20 0 BCADRP COC[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000359224905 387068884 /nfs/dbraw/zinc/06/88/84/387068884.db2.gz TZLWYMMYTHKKOX-ZDUSSCGKSA-N 2 0 242.363 0.723 20 0 BCADRP COC[C@](C)(CCO)[NH2+]CCC1CC[NH2+]CC1 ZINC000359222793 387070518 /nfs/dbraw/zinc/07/05/18/387070518.db2.gz YUCUZNDZTWDXOA-ZDUSSCGKSA-N 2 0 244.379 0.753 20 0 BCADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCN1CCOCC1 ZINC000111380600 387076960 /nfs/dbraw/zinc/07/69/60/387076960.db2.gz RALICVUTQVIZGI-CYBMUJFWSA-N 2 0 241.379 0.522 20 0 BCADRP C[C@H](C(=O)N(C)C)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334995258 387085612 /nfs/dbraw/zinc/08/56/12/387085612.db2.gz YNWKQWJRBKSSLJ-DGCLKSJQSA-N 2 0 239.363 0.539 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186495911 387099552 /nfs/dbraw/zinc/09/95/52/387099552.db2.gz BYQZDXJNDKTQEY-CMPLNLGQSA-N 2 0 239.363 0.857 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000334950430 387114018 /nfs/dbraw/zinc/11/40/18/387114018.db2.gz LHEXOOJTABRGAE-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP COCCCN(C)CC[NH2+]C1CCOCC1 ZINC000062767918 387114636 /nfs/dbraw/zinc/11/46/36/387114636.db2.gz RZYCUUAHUODAGJ-UHFFFAOYSA-N 2 0 230.352 0.723 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000186688855 387121331 /nfs/dbraw/zinc/12/13/31/387121331.db2.gz LEYNKUVMDLUJFP-PWSUYJOCSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000186689114 387122582 /nfs/dbraw/zinc/12/25/82/387122582.db2.gz PZXUIGFNNUPKAU-WDEREUQCSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000353154618 387145612 /nfs/dbraw/zinc/14/56/12/387145612.db2.gz SFKDCQUBYPUVCC-HBNTYKKESA-N 2 0 227.352 0.474 20 0 BCADRP CCC[NH2+]CCN[C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000423313495 387151692 /nfs/dbraw/zinc/15/16/92/387151692.db2.gz ULYKANSQSRJLDP-NWDGAFQWSA-N 2 0 213.369 0.916 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000353186206 387153191 /nfs/dbraw/zinc/15/31/91/387153191.db2.gz QJVWSSFZILVPQR-WCQGTBRESA-N 2 0 239.363 0.569 20 0 BCADRP C[C@]1(CN2CC[C@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC000336361259 387192842 /nfs/dbraw/zinc/19/28/42/387192842.db2.gz IACGHLWPEFFECB-STQMWFEESA-N 2 0 223.364 0.671 20 0 BCADRP COCC[NH2+]CCN[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423319647 387162711 /nfs/dbraw/zinc/16/27/11/387162711.db2.gz CQBPAKHDWOSNJG-YPMHNXCESA-N 2 0 241.379 0.295 20 0 BCADRP CC(C)(CO)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000168604203 387166400 /nfs/dbraw/zinc/16/64/00/387166400.db2.gz MPLMZYULSWCRKR-UWVGGRQHSA-N 2 0 200.326 0.722 20 0 BCADRP C[N@H+](CCO)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371206376 387172932 /nfs/dbraw/zinc/17/29/32/387172932.db2.gz YKEZBSCOUDFVQV-CYBMUJFWSA-N 2 0 241.379 0.079 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371230834 387177266 /nfs/dbraw/zinc/17/72/66/387177266.db2.gz NKAVIPBFBBBJAX-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000371223740 387177416 /nfs/dbraw/zinc/17/74/16/387177416.db2.gz RTBQHFASJFTTJP-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000371223737 387177519 /nfs/dbraw/zinc/17/75/19/387177519.db2.gz RTBQHFASJFTTJP-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@]12C[C@H]1CC[NH2+]2 ZINC000423334045 387181895 /nfs/dbraw/zinc/18/18/95/387181895.db2.gz FLRPIYOICYVCBR-BYNQJWBRSA-N 2 0 249.358 0.481 20 0 BCADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCO ZINC000371295807 387185906 /nfs/dbraw/zinc/18/59/06/387185906.db2.gz VEHGALUOJVWTFZ-UPJWGTAASA-N 2 0 242.363 0.552 20 0 BCADRP C[C@@H]1C[C@H](NC[C@@H]([NH3+])C2CC2)C[N@@H+]1C1CC1 ZINC000423337686 387186756 /nfs/dbraw/zinc/18/67/56/387186756.db2.gz YRGZBMZFXPNLJH-SUZMYJTESA-N 2 0 223.364 0.939 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942925 387187497 /nfs/dbraw/zinc/18/74/97/387187497.db2.gz LQBUWMWOHOQPGB-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP C[N@@H+]1CC[C@H](NC2C[NH2+]C2)[C@@H]2CCC[C@@H]21 ZINC000571908121 387188886 /nfs/dbraw/zinc/18/88/86/387188886.db2.gz FHKKTKZKPYHQGC-SRVKXCTJSA-N 2 0 209.337 0.421 20 0 BCADRP CCC[N@H+](CCOCC[NH3+])C1CC[NH2+]CC1 ZINC000571882569 387191508 /nfs/dbraw/zinc/19/15/08/387191508.db2.gz IPRYZEHTLISMKT-UHFFFAOYSA-N 3 0 229.368 0.426 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000367350298 387136167 /nfs/dbraw/zinc/13/61/67/387136167.db2.gz UHQBQDLXSZIFPS-MNOVXSKESA-N 2 0 227.352 0.490 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000423355102 387204886 /nfs/dbraw/zinc/20/48/86/387204886.db2.gz OOPDGMDKBPEBGD-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000353448414 387205476 /nfs/dbraw/zinc/20/54/76/387205476.db2.gz MHBYESCLKQLQSB-MXWKQRLJSA-N 2 0 227.352 0.345 20 0 BCADRP Cc1nccn1CC[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000229913990 387206439 /nfs/dbraw/zinc/20/64/39/387206439.db2.gz GZYFVPINCCNVSB-CMPLNLGQSA-N 2 0 223.320 0.894 20 0 BCADRP C[C@@H](C[C@H]1COCCN1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356500 387207704 /nfs/dbraw/zinc/20/77/04/387207704.db2.gz JZYUGLTXBUFMIG-XQQFMLRXSA-N 2 0 241.379 0.485 20 0 BCADRP CC[NH+](CC)CC(=O)NC1(C)CC[NH2+]CC1 ZINC000193356555 387209950 /nfs/dbraw/zinc/20/99/50/387209950.db2.gz YYCNUVJXYBRKBN-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423358525 387210149 /nfs/dbraw/zinc/21/01/49/387210149.db2.gz NTZPMJAXAXVQGK-QJPTWQEYSA-N 2 0 211.353 0.716 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C)CC[C@H]1C ZINC000336381383 387211019 /nfs/dbraw/zinc/21/10/19/387211019.db2.gz ZQDOOYLIQRHXHH-GFCCVEGCSA-N 2 0 241.379 0.879 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)C[NH3+] ZINC000418200740 387211901 /nfs/dbraw/zinc/21/19/01/387211901.db2.gz QKMXAMRCGRLFLO-QWRGUYRKSA-N 2 0 244.383 0.753 20 0 BCADRP COCC[N@@H+]1CC[C@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000423362133 387213326 /nfs/dbraw/zinc/21/33/26/387213326.db2.gz MUDNZSQRPFMQQJ-OLZOCXBDSA-N 2 0 241.379 0.439 20 0 BCADRP OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccc2nccn21 ZINC000187664950 387213296 /nfs/dbraw/zinc/21/32/96/387213296.db2.gz QCRDCDNXVASKPZ-RYUDHWBXSA-N 2 0 247.298 0.262 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H](C)C[NH+](C)C ZINC000418194058 387213367 /nfs/dbraw/zinc/21/33/67/387213367.db2.gz DQNZXMARLXWWJP-QWRGUYRKSA-N 2 0 242.367 0.330 20 0 BCADRP C[N@@H+](Cc1cccc2cccnc21)C[C@@H](O)C[NH3+] ZINC000336795442 387213961 /nfs/dbraw/zinc/21/39/61/387213961.db2.gz KQNYEZXWDAJLPP-ZDUSSCGKSA-N 2 0 245.326 0.986 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000571984628 387214600 /nfs/dbraw/zinc/21/46/00/387214600.db2.gz CKHMBAIALOVPQS-CHWFTXMASA-N 2 0 225.336 0.193 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000423364994 387214810 /nfs/dbraw/zinc/21/48/10/387214810.db2.gz ZOMXWGOXZVNWKF-MDZLAQPJSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)CC1(C[NH3+])CC1 ZINC000423370020 387223783 /nfs/dbraw/zinc/22/37/83/387223783.db2.gz UANRWNOOIXOKHJ-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP Cn1ccnc1C[NH2+]CCOCC[NH+](C)C ZINC000230004689 387225028 /nfs/dbraw/zinc/22/50/28/387225028.db2.gz MTCKDGDKYYJOHH-UHFFFAOYSA-N 2 0 226.324 0.088 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC000352460720 387226135 /nfs/dbraw/zinc/22/61/35/387226135.db2.gz GOJSDUUSHXZRBS-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC000360105005 387226677 /nfs/dbraw/zinc/22/66/77/387226677.db2.gz PCXUSTWARSOZEY-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)NC2CC[NH2+]CC2)cc1 ZINC000336421292 387253298 /nfs/dbraw/zinc/25/32/98/387253298.db2.gz POFCCJJVEAPXNK-CYBMUJFWSA-N 2 0 247.342 0.863 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC[NH+](C)C ZINC000360134429 387231842 /nfs/dbraw/zinc/23/18/42/387231842.db2.gz GIUUBWWSJPCMIN-LLVKDONJSA-N 2 0 244.383 0.576 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423398858 387234352 /nfs/dbraw/zinc/23/43/52/387234352.db2.gz UIRAZIQCDUGPOT-WYUUTHIRSA-N 2 0 211.353 0.796 20 0 BCADRP C[NH2+]CC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000572158505 387253543 /nfs/dbraw/zinc/25/35/43/387253543.db2.gz VHTKJCJJMRIARM-UHFFFAOYSA-N 3 0 225.380 0.917 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000643438927 387241405 /nfs/dbraw/zinc/24/14/05/387241405.db2.gz MKNYJCUPVAJJGO-SNVBAGLBSA-N 2 0 242.367 0.555 20 0 BCADRP CC[N@H+](C)CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000572147852 387242517 /nfs/dbraw/zinc/24/25/17/387242517.db2.gz RNOAMHLDVAQGKX-VXGBXAGGSA-N 2 0 213.369 0.916 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423406273 387243851 /nfs/dbraw/zinc/24/38/51/387243851.db2.gz UOEQPXOWUKXKGO-YTWAJWBKSA-N 2 0 200.326 0.997 20 0 BCADRP C[N@@H+]1CC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]2CCC[C@@H]21 ZINC000423420053 387247559 /nfs/dbraw/zinc/24/75/59/387247559.db2.gz AQZUNBCJMHXBHN-KYTCRMMBSA-N 2 0 235.375 0.667 20 0 BCADRP COC[C@]1(CN[C@@H](C)[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000423417510 387248568 /nfs/dbraw/zinc/24/85/68/387248568.db2.gz SLWBUMZFOKQTSH-YNEHKIRRSA-N 2 0 241.379 0.485 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000572155575 387251346 /nfs/dbraw/zinc/25/13/46/387251346.db2.gz MBKSFLCRQTUXHM-VHSXEESVSA-N 2 0 239.363 0.713 20 0 BCADRP COCC[NH2+]CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423345085 387196002 /nfs/dbraw/zinc/19/60/02/387196002.db2.gz XKYZMTFNAYMZSC-VXGBXAGGSA-N 2 0 229.368 0.330 20 0 BCADRP C[C@H]([NH2+]CCC[NH+](C)C)C(C)(C)n1cncn1 ZINC000353411606 387196642 /nfs/dbraw/zinc/19/66/42/387196642.db2.gz KPPZBMFSPMMDJJ-NSHDSACASA-N 2 0 239.367 0.943 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])C1CCC1)C1CC1 ZINC000423349206 387199471 /nfs/dbraw/zinc/19/94/71/387199471.db2.gz WCHBVIBMBZWDKL-RYUDHWBXSA-N 2 0 239.363 0.570 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000423464261 387312785 /nfs/dbraw/zinc/31/27/85/387312785.db2.gz QOGSAAAFVVLHJL-MNOVXSKESA-N 2 0 229.368 0.722 20 0 BCADRP CCOC[C@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423463901 387313068 /nfs/dbraw/zinc/31/30/68/387313068.db2.gz WNGNUXZIBJFTHV-BNDIWNMDSA-N 2 0 224.348 0.999 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423465549 387313301 /nfs/dbraw/zinc/31/33/01/387313301.db2.gz WOOCNPLQHLSWDK-ZYHUDNBSSA-N 2 0 241.379 0.995 20 0 BCADRP [NH3+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[NH2+]1 ZINC000648110391 387314024 /nfs/dbraw/zinc/31/40/24/387314024.db2.gz ZUWBHESHQHAEEY-CYBMUJFWSA-N 2 0 247.342 0.726 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000514936449 387315749 /nfs/dbraw/zinc/31/57/49/387315749.db2.gz TYLJTAFTUMTHKM-CMPLNLGQSA-N 2 0 235.331 0.930 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188186940 387257472 /nfs/dbraw/zinc/25/74/72/387257472.db2.gz BNAPQZRMZACXIW-LPEHRKFASA-N 2 0 231.315 0.320 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH2+]CC2)CC[N@@H+]1C ZINC000648119869 387260115 /nfs/dbraw/zinc/26/01/15/387260115.db2.gz AQXINQKULCJOJV-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH2+][C@H](C)CN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000423382347 387265806 /nfs/dbraw/zinc/26/58/06/387265806.db2.gz OJSIRGXFHRMHIG-UTUOFQBUSA-N 2 0 213.369 0.914 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000645685056 387268697 /nfs/dbraw/zinc/26/86/97/387268697.db2.gz RUSJVBFHOKLBDW-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000645684865 387269243 /nfs/dbraw/zinc/26/92/43/387269243.db2.gz JSOMRTBYEPSAAP-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C)CC1 ZINC000336442932 387269960 /nfs/dbraw/zinc/26/99/60/387269960.db2.gz UGXMXLDZBWMIOI-LBPRGKRZSA-N 2 0 237.347 0.459 20 0 BCADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1=CC[NH+](C)CC1 ZINC000336442931 387271115 /nfs/dbraw/zinc/27/11/15/387271115.db2.gz UGXMXLDZBWMIOI-GFCCVEGCSA-N 2 0 237.347 0.459 20 0 BCADRP O=C1NCC[C@@H]1[N@H+]1C[C@H]2[C@@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000372105924 387273247 /nfs/dbraw/zinc/27/32/47/387273247.db2.gz SOOHBGSOADGGQE-CYDGBPFRSA-N 2 0 249.358 0.291 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000514938486 387317720 /nfs/dbraw/zinc/31/77/20/387317720.db2.gz WAJHLUHQIMVDAI-NSHDSACASA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[C@H](N[C@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC000423388500 387274903 /nfs/dbraw/zinc/27/49/03/387274903.db2.gz UBJPURFSKPPYBO-QCNOEVLYSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000423473890 387319260 /nfs/dbraw/zinc/31/92/60/387319260.db2.gz GYIYMBHUGIFJHO-UTLUCORTSA-N 2 0 233.306 0.714 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N(C)CCC[NH3+] ZINC000514722395 387279445 /nfs/dbraw/zinc/27/94/45/387279445.db2.gz LMQKDRXLJVYQQD-JTQLQIEISA-N 2 0 230.356 0.350 20 0 BCADRP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423432077 387284931 /nfs/dbraw/zinc/28/49/31/387284931.db2.gz MEURTBLMZSSPIP-DCQANWLSSA-N 2 0 239.363 0.441 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)CC1(C[NH3+])CC1 ZINC000423439006 387288299 /nfs/dbraw/zinc/28/82/99/387288299.db2.gz SBCSXTVTUWSCIT-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP CC[C@H]([NH3+])CN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423441198 387289745 /nfs/dbraw/zinc/28/97/45/387289745.db2.gz AZVSATVIWNAVTD-DCAQKATOSA-N 2 0 211.353 0.939 20 0 BCADRP CC1CC[NH+](CC(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000423480311 387289761 /nfs/dbraw/zinc/28/97/61/387289761.db2.gz PGIJCLIFHLDQHB-LBPRGKRZSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000514940362 387318221 /nfs/dbraw/zinc/31/82/21/387318221.db2.gz SFDJSKCREATJPW-JQWIXIFHSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000336470057 387299681 /nfs/dbraw/zinc/29/96/81/387299681.db2.gz SCWVLCNFQPIYSZ-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H](C(=O)NCC1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000191987256 387300197 /nfs/dbraw/zinc/30/01/97/387300197.db2.gz VCANKINASNDNAM-BDAKNGLRSA-N 2 0 213.325 0.086 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@@H]1CCCCC[NH2+]1)C1CC1 ZINC000372503942 387306860 /nfs/dbraw/zinc/30/68/60/387306860.db2.gz LFBIPUOUEJZZHV-QWRGUYRKSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000648121500 387309432 /nfs/dbraw/zinc/30/94/32/387309432.db2.gz QRJJCFZQUKROLS-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP CCC[C@H](C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)[NH+](C)C ZINC000423461561 387309497 /nfs/dbraw/zinc/30/94/97/387309497.db2.gz JUJYSIKNFQHDEM-IJLUTSLNSA-N 2 0 241.379 0.912 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)c1ccc2c(c1)C[NH2+]C2 ZINC000336538624 387358836 /nfs/dbraw/zinc/35/88/36/387358836.db2.gz KESWKZXYEMEUBV-ZDUSSCGKSA-N 2 0 245.326 0.772 20 0 BCADRP CCC[C@H](C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)[NH+](C)C ZINC000423533449 387360614 /nfs/dbraw/zinc/36/06/14/387360614.db2.gz TWVCKFWBQAYVFM-GRYCIOLGSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538471 387362759 /nfs/dbraw/zinc/36/27/59/387362759.db2.gz MZIJSXGMIHVGBM-WCQYABFASA-N 2 0 223.364 0.836 20 0 BCADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538469 387364088 /nfs/dbraw/zinc/36/40/88/387364088.db2.gz MZIJSXGMIHVGBM-AAEUAGOBSA-N 2 0 223.364 0.836 20 0 BCADRP C[C@H](NC[C@@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000643502940 387365965 /nfs/dbraw/zinc/36/59/65/387365965.db2.gz VSRFKKGQDIFQNT-SDDRHHMPSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423545754 387367445 /nfs/dbraw/zinc/36/74/45/387367445.db2.gz PEPVRGHOUUHYDR-RGDJUOJXSA-N 2 0 237.391 0.914 20 0 BCADRP COCC[N@@H+]1CC[C@@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000423544419 387368510 /nfs/dbraw/zinc/36/85/10/387368510.db2.gz CZZUSDIUWYTGML-CHWSQXEVSA-N 2 0 241.379 0.439 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NCC2=CC[NH2+]CC2)CC[NH2+]1 ZINC000515351344 387369929 /nfs/dbraw/zinc/36/99/29/387369929.db2.gz JYKMQZYTCGCECN-JQWIXIFHSA-N 2 0 237.347 0.410 20 0 BCADRP O=C1OCC[C@@H]2CCN(CCn3ccnc3)[C@@H]12 ZINC000373449277 387372272 /nfs/dbraw/zinc/37/22/72/387372272.db2.gz UJGSZCCPSDJXNS-WDEREUQCSA-N 2 0 235.287 0.521 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000648122931 387372484 /nfs/dbraw/zinc/37/24/84/387372484.db2.gz DFGLELPMZKKSDX-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP O=C1OCC[C@@H]2CCN(CCn3ccnc3)[C@H]12 ZINC000373449276 387373112 /nfs/dbraw/zinc/37/31/12/387373112.db2.gz UJGSZCCPSDJXNS-QWRGUYRKSA-N 2 0 235.287 0.521 20 0 BCADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NCC(N)=O ZINC000360953421 387373634 /nfs/dbraw/zinc/37/36/34/387373634.db2.gz AKEDMSACQILMRB-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](NCCC[NH2+]C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423555957 387374487 /nfs/dbraw/zinc/37/44/87/387374487.db2.gz MEAROCJILNVBDF-PWSUYJOCSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@H](NCCC[NH2+]C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423555956 387374889 /nfs/dbraw/zinc/37/48/89/387374889.db2.gz MEAROCJILNVBDF-JQWIXIFHSA-N 2 0 211.353 0.859 20 0 BCADRP CC1(C)NC(=O)CC[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423565728 387377148 /nfs/dbraw/zinc/37/71/48/387377148.db2.gz TVCMOEZKNMDWES-NSHDSACASA-N 2 0 239.363 0.775 20 0 BCADRP C[C@H](NC[C@@H]1C[NH2+]CCO1)[C@H]1CCCC[NH2+]1 ZINC000423571217 387379977 /nfs/dbraw/zinc/37/99/77/387379977.db2.gz NGSPENQVFLFISB-SDDRHHMPSA-N 2 0 227.352 0.095 20 0 BCADRP Cc1ncc(C[NH2+]CCOCC[NH+](C)C)n1C ZINC000515434492 387379939 /nfs/dbraw/zinc/37/99/39/387379939.db2.gz KZKPZLZBQCSHKS-UHFFFAOYSA-N 2 0 240.351 0.396 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000643462779 387321424 /nfs/dbraw/zinc/32/14/24/387321424.db2.gz LVWJYTBXCFHSJA-XQQFMLRXSA-N 2 0 223.364 0.940 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000336498266 387322680 /nfs/dbraw/zinc/32/26/80/387322680.db2.gz JISLDVXBPLPEIQ-JQWIXIFHSA-N 2 0 225.336 0.339 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418391164 387323757 /nfs/dbraw/zinc/32/37/57/387323757.db2.gz BWHDTNMXKMCEBO-SCZZXKLOSA-N 2 0 228.340 0.021 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000648121705 387324893 /nfs/dbraw/zinc/32/48/93/387324893.db2.gz REPAUQWGXKZYTG-OUAUKWLOSA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[C@@H](C)[NH3+] ZINC000423476835 387324976 /nfs/dbraw/zinc/32/49/76/387324976.db2.gz SPXDPXFYGQPSKU-WYUUTHIRSA-N 2 0 241.379 0.802 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336559308 387382658 /nfs/dbraw/zinc/38/26/58/387382658.db2.gz DRJAFJLYVRGSSG-VXGBXAGGSA-N 2 0 239.363 0.395 20 0 BCADRP CC(=O)NCC[N@@H+](C)CCn1ccnc1C ZINC000515057583 387327361 /nfs/dbraw/zinc/32/73/61/387327361.db2.gz HPYAWFDIFYTIHK-UHFFFAOYSA-N 2 0 224.308 0.259 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000515060723 387328612 /nfs/dbraw/zinc/32/86/12/387328612.db2.gz JVUIERIICMHQRQ-JBLDHEPKSA-N 2 0 227.352 0.557 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000515060724 387329057 /nfs/dbraw/zinc/32/90/57/387329057.db2.gz JVUIERIICMHQRQ-JFGNBEQYSA-N 2 0 227.352 0.557 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000515060725 387329297 /nfs/dbraw/zinc/32/92/97/387329297.db2.gz JVUIERIICMHQRQ-NHCYSSNCSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372875214 387330638 /nfs/dbraw/zinc/33/06/38/387330638.db2.gz GOCOSIUUSOCVHM-XWLWVQCSSA-N 2 0 225.336 0.180 20 0 BCADRP CCC[C@@H](C(=O)NC[C@@H]([NH3+])C1CC1)[NH+](C)C ZINC000423488880 387334137 /nfs/dbraw/zinc/33/41/37/387334137.db2.gz ZJFQOXBVALFXOR-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000354143477 387337318 /nfs/dbraw/zinc/33/73/18/387337318.db2.gz NKKXYCQSRWJUQD-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)[C@@H](C)[NH3+] ZINC000423497621 387341122 /nfs/dbraw/zinc/34/11/22/387341122.db2.gz AHPNEEGNOSTMHT-WYUUTHIRSA-N 2 0 241.379 0.802 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000373028084 387341859 /nfs/dbraw/zinc/34/18/59/387341859.db2.gz HZKLTHUXYXVSKW-IJLUTSLNSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)[NH2+]CCCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000572354560 387342771 /nfs/dbraw/zinc/34/27/71/387342771.db2.gz DJNBGLWCVBSCGB-VXGBXAGGSA-N 2 0 213.369 0.962 20 0 BCADRP [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)[C@H]1CCC[NH2+]1)C2 ZINC000373615105 387383369 /nfs/dbraw/zinc/38/33/69/387383369.db2.gz GZAVJNNEBSIIRW-WZRBSPASSA-N 2 0 237.347 0.468 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000309804522 387343603 /nfs/dbraw/zinc/34/36/03/387343603.db2.gz RUKKJLWVHLJOEV-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](NC[C@@H]1C[NH2+]CCN1C)[C@@H]1CCCC[NH2+]1 ZINC000423507083 387345479 /nfs/dbraw/zinc/34/54/79/387345479.db2.gz HPJYHWYXOZNWIF-AGIUHOORSA-N 2 0 240.395 0.010 20 0 BCADRP O=C(C1C[NH2+]C1)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000373564300 387383641 /nfs/dbraw/zinc/38/36/41/387383641.db2.gz XXVDLKHZLIIQIA-PWSUYJOCSA-N 2 0 237.347 0.196 20 0 BCADRP CC(C)(C)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000572378711 387351391 /nfs/dbraw/zinc/35/13/91/387351391.db2.gz PERKYIYQUCQUNR-GHMZBOCLSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000418399081 387423602 /nfs/dbraw/zinc/42/36/02/387423602.db2.gz FUBYGMSMYQSGPU-SNVBAGLBSA-N 2 0 244.383 0.596 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000162092763 387461435 /nfs/dbraw/zinc/46/14/35/387461435.db2.gz WVCICWAOFKSLMS-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000374157922 387428219 /nfs/dbraw/zinc/42/82/19/387428219.db2.gz GPQWTKCHCYRUBS-QNWHQSFQSA-N 2 0 224.348 0.783 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418399706 387428476 /nfs/dbraw/zinc/42/84/76/387428476.db2.gz GLKRLZXFOCMYFJ-GHMZBOCLSA-N 2 0 244.383 0.786 20 0 BCADRP C[NH+](C)CCC1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000361296094 387433510 /nfs/dbraw/zinc/43/35/10/387433510.db2.gz IRZGWYGIZJYGOF-CHWSQXEVSA-N 2 0 242.363 0.410 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000423842128 387434774 /nfs/dbraw/zinc/43/47/74/387434774.db2.gz GMEZCGOUEPJXPD-MNOVXSKESA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423845192 387435186 /nfs/dbraw/zinc/43/51/86/387435186.db2.gz KBFWPIKVJHDQIE-GFCCVEGCSA-N 2 0 241.379 0.770 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCC[NH2+]1 ZINC000423852545 387437070 /nfs/dbraw/zinc/43/70/70/387437070.db2.gz SIXVNFMGUQQADI-LLVKDONJSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423855061 387437517 /nfs/dbraw/zinc/43/75/17/387437517.db2.gz WNMONYOKIASBCG-SNVBAGLBSA-N 2 0 227.352 0.666 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000423852103 387437858 /nfs/dbraw/zinc/43/78/58/387437858.db2.gz RXTHRDMUBRCMTJ-GXSJLCMTSA-N 2 0 243.326 0.239 20 0 BCADRP C[NH+](C)CC1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000304207812 387448131 /nfs/dbraw/zinc/44/81/31/387448131.db2.gz DHCXZLSCHUZIMS-VXGBXAGGSA-N 2 0 228.336 0.020 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)NCC2=CC[NH+](C)CC2)C1 ZINC000336616472 387456534 /nfs/dbraw/zinc/45/65/34/387456534.db2.gz HWNKDLJXYNDEJT-GFCCVEGCSA-N 2 0 237.347 0.316 20 0 BCADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1CC[NH2+]1 ZINC000423952228 387457626 /nfs/dbraw/zinc/45/76/26/387457626.db2.gz ZYCXXVLZBSWXNB-CHWSQXEVSA-N 2 0 247.342 0.727 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[NH2+][C@@H](C)C1)[C@@H](C)[NH3+] ZINC000423604455 387386038 /nfs/dbraw/zinc/38/60/38/387386038.db2.gz FYKASYDBYVBKKS-HBNTYKKESA-N 2 0 227.352 0.426 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)[C@H](C)[NH3+] ZINC000423608867 387386375 /nfs/dbraw/zinc/38/63/75/387386375.db2.gz LUPBILIYUNQUAM-QCNOEVLYSA-N 2 0 241.379 0.863 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC000423612026 387388196 /nfs/dbraw/zinc/38/81/96/387388196.db2.gz SVXDYWIYXNUFLT-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP CCC[C@H](C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000423620298 387388264 /nfs/dbraw/zinc/38/82/64/387388264.db2.gz JHMVWJMCGASVHC-SDDRHHMPSA-N 2 0 241.379 0.973 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC000423638468 387392416 /nfs/dbraw/zinc/39/24/16/387392416.db2.gz UVAXRHHKOOHEER-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423967926 387460221 /nfs/dbraw/zinc/46/02/21/387460221.db2.gz TXIRVTKSPLZCFO-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC[N@@H+]1C ZINC000648112100 387394563 /nfs/dbraw/zinc/39/45/63/387394563.db2.gz UOJVDJSGVXMKLP-KKOKHZNYSA-N 2 0 239.363 0.441 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000423685754 387397446 /nfs/dbraw/zinc/39/74/46/387397446.db2.gz SVJBRLMXEMVJFI-UTLUCORTSA-N 2 0 215.341 0.459 20 0 BCADRP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000423730680 387402699 /nfs/dbraw/zinc/40/26/99/387402699.db2.gz NLUXGSWKMVELAS-CYBMUJFWSA-N 2 0 247.342 0.726 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000423974747 387460651 /nfs/dbraw/zinc/46/06/51/387460651.db2.gz LDFILNOEFPLSRH-UWVGGRQHSA-N 2 0 213.325 0.134 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000361175807 387410846 /nfs/dbraw/zinc/41/08/46/387410846.db2.gz STXNIKSYVBPKPM-NWDGAFQWSA-N 2 0 244.379 0.704 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC[N@@H+]1C ZINC000648123959 387415535 /nfs/dbraw/zinc/41/55/35/387415535.db2.gz MSNCVYZLNSGHKO-QCNOEVLYSA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)Cn1ccnc1 ZINC000572422417 387417178 /nfs/dbraw/zinc/41/71/78/387417178.db2.gz LHYDHEJORUAFEV-UHFFFAOYSA-N 2 0 224.308 0.340 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000361220315 387418569 /nfs/dbraw/zinc/41/85/69/387418569.db2.gz KINHRNPLTTUNIM-FRRDWIJNSA-N 2 0 243.395 0.635 20 0 BCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000423771455 387420605 /nfs/dbraw/zinc/42/06/05/387420605.db2.gz INOYVBUXIONBEA-TUAOUCFPSA-N 2 0 241.379 0.768 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C1CC[NH2+]CC1 ZINC000336598208 387421736 /nfs/dbraw/zinc/42/17/36/387421736.db2.gz WRONWGGCYAIJRM-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000336598199 387421827 /nfs/dbraw/zinc/42/18/27/387421827.db2.gz SCOAHHPYKMVWLM-WDEREUQCSA-N 2 0 239.363 0.701 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000423776974 387423235 /nfs/dbraw/zinc/42/32/35/387423235.db2.gz QXOFSAXHCHZMAC-SRVKXCTJSA-N 2 0 239.363 0.809 20 0 BCADRP [NH3+]CC1(CC(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000516286481 387494965 /nfs/dbraw/zinc/49/49/65/387494965.db2.gz SYRMWJZUWAWPHN-JTQLQIEISA-N 2 0 225.336 0.231 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@H]1CN(C)CCO1 ZINC000643474870 387496439 /nfs/dbraw/zinc/49/64/39/387496439.db2.gz JHUOIQPTGFTRMB-JHJVBQTASA-N 2 0 243.395 0.813 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000516968555 387520690 /nfs/dbraw/zinc/52/06/90/387520690.db2.gz GOZWKXJPGGLJRW-DCAQKATOSA-N 2 0 242.367 0.411 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000355327466 387522028 /nfs/dbraw/zinc/52/20/28/387522028.db2.gz WUJWOIREXRFEFK-NWDGAFQWSA-N 2 0 230.352 0.267 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000361724728 387527651 /nfs/dbraw/zinc/52/76/51/387527651.db2.gz APXMZVAPVHSHEK-IJLUTSLNSA-N 2 0 237.347 0.420 20 0 BCADRP CCSCC[NH2+]CCCN1CC[NH+](C)CC1 ZINC000309952166 387531721 /nfs/dbraw/zinc/53/17/21/387531721.db2.gz GQFSDGQAPWUIRO-UHFFFAOYSA-N 2 0 245.436 0.967 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)C1CC1 ZINC000165610069 387540476 /nfs/dbraw/zinc/54/04/76/387540476.db2.gz XHCVVXSBIJHYTG-NEPJUHHUSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H](C(=O)N(C)CC[NH3+])[NH+](CC)CC ZINC000424003128 387464226 /nfs/dbraw/zinc/46/42/26/387464226.db2.gz KASVYLRKSDAYAQ-JTQLQIEISA-N 2 0 215.341 0.524 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)CCC[NH2+]C ZINC000424023434 387469054 /nfs/dbraw/zinc/46/90/54/387469054.db2.gz VXKBLFXBWJONQK-UHFFFAOYSA-N 2 0 215.341 0.396 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC(C)(C)[NH+](C)C ZINC000086067859 134578182 /nfs/dbraw/zinc/57/81/82/134578182.db2.gz MDPQIEGTARHMKM-VIFPVBQESA-N 2 0 215.341 0.298 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424075258 387477922 /nfs/dbraw/zinc/47/79/22/387477922.db2.gz JARPTSVHTCWLMH-WCABBAIRSA-N 2 0 213.325 0.213 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424075259 387478531 /nfs/dbraw/zinc/47/85/31/387478531.db2.gz JARPTSVHTCWLMH-YWVKMMECSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@@H](C(=O)N1C[C@H]([NH3+])Cc2ccccc21)[C@H](C)[NH3+] ZINC000424078326 387479543 /nfs/dbraw/zinc/47/95/43/387479543.db2.gz QLBDXJMNKDRWKK-JFGNBEQYSA-N 2 0 247.342 0.886 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000424077910 387479630 /nfs/dbraw/zinc/47/96/30/387479630.db2.gz PSXPPBPATWNJDK-LBPRGKRZSA-N 2 0 247.342 0.903 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1NCC[NH2+]C1CC1 ZINC000643508038 387481462 /nfs/dbraw/zinc/48/14/62/387481462.db2.gz CYADGTYXHGNYFQ-CMPLNLGQSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@H](NCC[NH2+]C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000643508079 387483776 /nfs/dbraw/zinc/48/37/76/387483776.db2.gz HZFAWQSUUWJURF-JQWIXIFHSA-N 2 0 211.353 0.859 20 0 BCADRP CCN(CC)C(=O)C[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000396746741 387488988 /nfs/dbraw/zinc/48/89/88/387488988.db2.gz ZRAZKPFAJIOPAE-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000040833011 387583695 /nfs/dbraw/zinc/58/36/95/387583695.db2.gz AVFZFLYMSPTOOZ-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422535789 387595000 /nfs/dbraw/zinc/59/50/00/387595000.db2.gz DEFYFDPBQQIFSB-WOPDTQHZSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422534533 387595480 /nfs/dbraw/zinc/59/54/80/387595480.db2.gz BDFMMYCIDTVDPW-MXWKQRLJSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)C[C@H](C)[NH2+]1 ZINC000422545933 387596651 /nfs/dbraw/zinc/59/66/51/387596651.db2.gz YDHYEKYQPFFHJB-NGZCFLSTSA-N 2 0 225.336 0.323 20 0 BCADRP C[NH2+]CC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422541073 387597512 /nfs/dbraw/zinc/59/75/12/387597512.db2.gz NIOAFTHCXGPQKH-AEJSXWLSSA-N 2 0 213.325 0.038 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422539391 387597563 /nfs/dbraw/zinc/59/75/63/387597563.db2.gz KGKMBWSUIREEFD-KXNHARMFSA-N 2 0 241.379 0.674 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000527532212 387597698 /nfs/dbraw/zinc/59/76/98/387597698.db2.gz KITVXQIRIXHUJY-GMTAPVOTSA-N 2 0 209.337 0.740 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000527532214 387598937 /nfs/dbraw/zinc/59/89/37/387598937.db2.gz KITVXQIRIXHUJY-MXWKQRLJSA-N 2 0 209.337 0.740 20 0 BCADRP C([NH2+][C@H]1CC[NH2+]C12CCC2)C1CC[NH2+]CC1 ZINC000527531327 387601812 /nfs/dbraw/zinc/60/18/12/387601812.db2.gz DWCRGRJSQWVDFH-LBPRGKRZSA-N 3 0 223.364 0.860 20 0 BCADRP C1CC2(C1)[NH2+]CC[C@H]2NC1CC[NH2+]CC1 ZINC000527531664 387602891 /nfs/dbraw/zinc/60/28/91/387602891.db2.gz IQBTYDXPDKNKLL-LLVKDONJSA-N 2 0 209.337 0.613 20 0 BCADRP CCCC[N@H+](C)CCN[C@H](C)C1C[NH2+]C1 ZINC000422715601 387629063 /nfs/dbraw/zinc/62/90/63/387629063.db2.gz SQGYDTXLWLDOHB-LLVKDONJSA-N 2 0 213.369 0.916 20 0 BCADRP C[NH2+]CCCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422631766 387610129 /nfs/dbraw/zinc/61/01/29/387610129.db2.gz FXICPZMPNUTUFC-SRVKXCTJSA-N 2 0 213.369 0.901 20 0 BCADRP CCC[C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000422682780 387610419 /nfs/dbraw/zinc/61/04/19/387610419.db2.gz BPHMCWYTPPZOLF-MNOVXSKESA-N 2 0 227.352 0.666 20 0 BCADRP CCC(CC)[C@H](O)C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422700871 387614584 /nfs/dbraw/zinc/61/45/84/387614584.db2.gz AYBMKJCRZQUJQN-BXKDBHETSA-N 2 0 214.353 0.981 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)NCCC[NH3+] ZINC000422703300 387617216 /nfs/dbraw/zinc/61/72/16/387617216.db2.gz HOIKVOPXGSFJOJ-UHFFFAOYSA-N 2 0 222.292 0.226 20 0 BCADRP O=C(N1CC[NH2+]CC1)C12CCC[NH+]1CCC2 ZINC000422704204 387621314 /nfs/dbraw/zinc/62/13/14/387621314.db2.gz OXPJVUIRJLDSTN-UHFFFAOYSA-N 2 0 223.320 0.047 20 0 BCADRP CC[C@@H](C(=O)NC1CC[NH+](C)CC1)[NH+](C)C ZINC000124575182 387623881 /nfs/dbraw/zinc/62/38/81/387623881.db2.gz MHBYOWOCIRMTPH-NSHDSACASA-N 2 0 227.352 0.537 20 0 BCADRP CC[N@H+](C)CCN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422709763 387624162 /nfs/dbraw/zinc/62/41/62/387624162.db2.gz DYVZCSNMEMYVIW-CHWSQXEVSA-N 2 0 241.379 0.295 20 0 BCADRP COCC[N@@H+]1CCC[C@@H]1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000422712694 387626223 /nfs/dbraw/zinc/62/62/23/387626223.db2.gz ONTIPHKYGIMELX-JHJVBQTASA-N 2 0 243.395 0.813 20 0 BCADRP CN(CC[N@H+](C)CCCO)C1CC[NH+](C)CC1 ZINC000305698635 387627239 /nfs/dbraw/zinc/62/72/39/387627239.db2.gz VLWRFKOYMVIYGP-UHFFFAOYSA-N 2 0 243.395 0.327 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C)[C@H](C)[NH3+] ZINC000399640655 387564089 /nfs/dbraw/zinc/56/40/89/387564089.db2.gz KCBGKNDBRBCNHM-TUAOUCFPSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)[C@H](C(=O)NCC[N@H+](C)C1CC1)[C@@H](C)[NH3+] ZINC000399626344 387564213 /nfs/dbraw/zinc/56/42/13/387564213.db2.gz DREROQHYDLTPDK-PWSUYJOCSA-N 2 0 241.379 0.816 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000399725637 387568164 /nfs/dbraw/zinc/56/81/64/387568164.db2.gz KAEIPPLJHPEDCW-QWRGUYRKSA-N 2 0 229.368 0.674 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000038042290 387569861 /nfs/dbraw/zinc/56/98/61/387569861.db2.gz PZZWQFRSXOVIAT-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP O=C([C@H]1CCC[NH2+]C1)N1CCNC[C@@H]1C(F)F ZINC000367392264 387577061 /nfs/dbraw/zinc/57/70/61/387577061.db2.gz NWBYYXSFUMHDAA-DTWKUNHWSA-N 2 0 247.289 0.052 20 0 BCADRP CC[C@@H](C(=O)NCC[NH+]1CCCCC1)[NH+](C)C ZINC000124809215 387633497 /nfs/dbraw/zinc/63/34/97/387633497.db2.gz BCNCHLANGPZLRT-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP [NH3+]C[C@@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC000430644315 387634854 /nfs/dbraw/zinc/63/48/54/387634854.db2.gz NAEMFFJCVOOUAQ-NSHDSACASA-N 2 0 225.336 0.280 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000422725015 387635096 /nfs/dbraw/zinc/63/50/96/387635096.db2.gz AEXQEPLYAAJSKB-SNVBAGLBSA-N 2 0 248.330 0.629 20 0 BCADRP [NH3+]CC1CC[NH+](CCN2CCCC2=O)CC1 ZINC000430629387 387635668 /nfs/dbraw/zinc/63/56/68/387635668.db2.gz QEHAXRPZJGBHDN-UHFFFAOYSA-N 2 0 225.336 0.280 20 0 BCADRP CC[NH+](CC)CC(=O)N(CC[NH+](C)C)C1CC1 ZINC000356273131 387636142 /nfs/dbraw/zinc/63/61/42/387636142.db2.gz DVFRVHJXKQYXIB-UHFFFAOYSA-N 2 0 241.379 0.881 20 0 BCADRP CCC[C@@H](C(=O)N1CCC(C[NH3+])CC1)[NH+](C)C ZINC000422728834 387638971 /nfs/dbraw/zinc/63/89/71/387638971.db2.gz JQKAJRHTESAHRE-LBPRGKRZSA-N 2 0 241.379 0.914 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)C[C@H](C)[NH3+] ZINC000430698229 387640329 /nfs/dbraw/zinc/64/03/29/387640329.db2.gz YRGXCQMUWYGLKH-NSHDSACASA-N 2 0 229.368 0.962 20 0 BCADRP CCC[C@H](C(=O)NCCC[NH2+]C)[NH+](C)C ZINC000422733869 387641161 /nfs/dbraw/zinc/64/11/61/387641161.db2.gz RUFDKYPGQKAJSJ-SNVBAGLBSA-N 2 0 215.341 0.442 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CC1(C[NH3+])CC1 ZINC000422733789 387641385 /nfs/dbraw/zinc/64/13/85/387641385.db2.gz RHPPJDVSXQGDPD-MNOVXSKESA-N 2 0 239.363 0.844 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430723178 387642546 /nfs/dbraw/zinc/64/25/46/387642546.db2.gz OGJPAKHRWYYCSS-WDEREUQCSA-N 2 0 241.379 0.864 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430730115 387644994 /nfs/dbraw/zinc/64/49/94/387644994.db2.gz IFTZFTJVSDVIPF-MNOVXSKESA-N 2 0 241.379 0.736 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)CCC[NH3+] ZINC000430733269 387646906 /nfs/dbraw/zinc/64/69/06/387646906.db2.gz QWUYBMFCIOSKAI-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000430749855 387646956 /nfs/dbraw/zinc/64/69/56/387646956.db2.gz XQBUVZPRLSIDPC-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@@H](C(=O)NCC[N@H+](C)CC)[NH+](C)C ZINC000125219890 387646994 /nfs/dbraw/zinc/64/69/94/387646994.db2.gz WYJVBGSQRKVJRS-JTQLQIEISA-N 2 0 215.341 0.395 20 0 BCADRP CC[N@H+](CCNC(=O)[C@]1(F)CC[NH2+]C1)C1CC1 ZINC000376526323 387647113 /nfs/dbraw/zinc/64/71/13/387647113.db2.gz GVTXWCSFRHGWSS-LBPRGKRZSA-N 2 0 243.326 0.289 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H](C)N1CCOCC1 ZINC000422740077 387647358 /nfs/dbraw/zinc/64/73/58/387647358.db2.gz MGABPHVSKZUNGX-AGIUHOORSA-N 2 0 243.395 0.813 20 0 BCADRP NC(=O)C1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCCC1 ZINC000422740217 387647467 /nfs/dbraw/zinc/64/74/67/387647467.db2.gz BCFQGCDJZBLEHL-WDEREUQCSA-N 2 0 239.363 0.749 20 0 BCADRP C[C@@H](CNC(=O)C1([NH3+])CC1)[N@@H+]1CCCC[C@H]1C ZINC000430742262 387647611 /nfs/dbraw/zinc/64/76/11/387647611.db2.gz LESPMRXLXYXVSP-MNOVXSKESA-N 2 0 239.363 0.857 20 0 BCADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000430772642 387648997 /nfs/dbraw/zinc/64/89/97/387648997.db2.gz CIDZKZSKHQOCIU-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH3+])C[C@@H]1C ZINC000430795856 387650918 /nfs/dbraw/zinc/65/09/18/387650918.db2.gz IMXCEHWTVWYABR-AXFHLTTASA-N 2 0 227.352 0.665 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH3+])C1 ZINC000430795658 387651055 /nfs/dbraw/zinc/65/10/55/387651055.db2.gz WCIRAYJDQUIMRG-LLVKDONJSA-N 2 0 227.352 0.526 20 0 BCADRP C[C@@H]1C[C@H](N(C)C(=O)CC[NH3+])CC[N@@H+]1C ZINC000430792115 387652042 /nfs/dbraw/zinc/65/20/42/387652042.db2.gz HCKXFQYXZJCXNL-NXEZZACHSA-N 2 0 213.325 0.276 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000356394231 387653656 /nfs/dbraw/zinc/65/36/56/387653656.db2.gz SLHXBBZLYOCEQQ-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH3+])C[C@H]1C ZINC000430803584 387654168 /nfs/dbraw/zinc/65/41/68/387654168.db2.gz VMHHSFZWILSKJN-MNOVXSKESA-N 2 0 227.352 0.666 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000362770828 387657856 /nfs/dbraw/zinc/65/78/56/387657856.db2.gz VHGPEADBUHYNEG-QWRGUYRKSA-N 2 0 227.352 0.252 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430890635 387657934 /nfs/dbraw/zinc/65/79/34/387657934.db2.gz RHEYCIBDLHKVTP-NWDGAFQWSA-N 2 0 239.363 0.665 20 0 BCADRP C[NH+](C)C[C@H]1CCN(Cc2cc[nH]n2)C1 ZINC000125558475 387661301 /nfs/dbraw/zinc/66/13/01/387661301.db2.gz OJKYKZMIEITKDM-SNVBAGLBSA-N 2 0 208.309 0.793 20 0 BCADRP C[C@H](CN1CCCC1=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422762378 387662950 /nfs/dbraw/zinc/66/29/50/387662950.db2.gz NPEBFZKOBVSDQX-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)C(=O)NCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422761692 387662978 /nfs/dbraw/zinc/66/29/78/387662978.db2.gz RMDAKBBSBGKIKI-NEPJUHHUSA-N 2 0 241.379 0.736 20 0 BCADRP CCCCNC(=O)CC[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430937507 387663380 /nfs/dbraw/zinc/66/33/80/387663380.db2.gz CHDXQWZOXQKVQL-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH2+]C[C@@H]1CCN([C@@H](C(N)=O)c2ccccc2)C1 ZINC000430966863 387664809 /nfs/dbraw/zinc/66/48/09/387664809.db2.gz PTRNWFBZRXRBJD-WCQYABFASA-N 2 0 247.342 0.754 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NCC[NH+]1CCCC1 ZINC000422763903 387665450 /nfs/dbraw/zinc/66/54/50/387665450.db2.gz OBAVCOZMGFOXAG-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424137769 387667083 /nfs/dbraw/zinc/66/70/83/387667083.db2.gz SMTQZIZDAOCPDS-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)CN1CCOCC1 ZINC000422769077 387667481 /nfs/dbraw/zinc/66/74/81/387667481.db2.gz SQOXGHWFWHRXES-AVGNSLFASA-N 2 0 243.395 0.670 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C[C@@H](C)[NH3+] ZINC000431012957 387670023 /nfs/dbraw/zinc/67/00/23/387670023.db2.gz HFVDDDBCNRBMPR-MNOVXSKESA-N 2 0 245.367 0.197 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000376793979 387670026 /nfs/dbraw/zinc/67/00/26/387670026.db2.gz KICDCIIZYODGMQ-NSHDSACASA-N 2 0 225.336 0.006 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000431022915 387670394 /nfs/dbraw/zinc/67/03/94/387670394.db2.gz FXJAPMRBBGQPIO-HOSYDEDBSA-N 2 0 239.363 0.441 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000431021693 387671601 /nfs/dbraw/zinc/67/16/01/387671601.db2.gz ARYGVWRYDLLVTK-MIMYLULJSA-N 2 0 225.336 0.323 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[C@@H](C)[NH3+])C1 ZINC000422775598 387672113 /nfs/dbraw/zinc/67/21/13/387672113.db2.gz CATOLPOTYORZGJ-IJLUTSLNSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C[NH3+])C1 ZINC000431062284 387674551 /nfs/dbraw/zinc/67/45/51/387674551.db2.gz OWVPERCRURIVJY-DGCLKSJQSA-N 2 0 247.342 0.897 20 0 BCADRP COC[C@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000126283262 387677040 /nfs/dbraw/zinc/67/70/40/387677040.db2.gz JSTNKBMLVPTPFQ-CYBMUJFWSA-N 2 0 244.379 0.657 20 0 BCADRP CCOC[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000044425328 387679301 /nfs/dbraw/zinc/67/93/01/387679301.db2.gz KKRBCXFSHOBIAG-NWDGAFQWSA-N 2 0 230.352 0.458 20 0 BCADRP C[C@@H]([NH3+])CCNC(=O)c1c[nH+]ccc1N(C)C ZINC000422779234 387679376 /nfs/dbraw/zinc/67/93/76/387679376.db2.gz IDIHDKPUMDBYIE-SECBINFHSA-N 2 0 236.319 0.615 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H]1CCC[NH2+]1)[C@@H](C)[NH3+] ZINC000422788749 387681659 /nfs/dbraw/zinc/68/16/59/387681659.db2.gz RJBNHDYSICVBQR-VWYCJHECSA-N 2 0 227.352 0.474 20 0 BCADRP CCC[C@@H](C(=O)NCC[C@@H](C)[NH3+])[NH+](C)C ZINC000422782869 387681910 /nfs/dbraw/zinc/68/19/10/387681910.db2.gz NOIHAIPSEOERHE-ZJUUUORDSA-N 2 0 215.341 0.570 20 0 BCADRP COCCC[N@H+](C)CCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422786194 387686345 /nfs/dbraw/zinc/68/63/45/387686345.db2.gz SIOUCYMWYWSUHG-OLZOCXBDSA-N 2 0 243.395 0.685 20 0 BCADRP CC[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC000422786033 387687267 /nfs/dbraw/zinc/68/72/67/387687267.db2.gz NZXIEJHNQPNLMP-UHFFFAOYSA-N 2 0 236.319 0.487 20 0 BCADRP COCCC[N@H+](C)CCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422786196 387687709 /nfs/dbraw/zinc/68/77/09/387687709.db2.gz SIOUCYMWYWSUHG-STQMWFEESA-N 2 0 243.395 0.685 20 0 BCADRP C[C@@H](N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422743554 387691295 /nfs/dbraw/zinc/69/12/95/387691295.db2.gz RSALLRSFYKULGN-NTZNESFSSA-N 2 0 223.364 0.953 20 0 BCADRP COCCC[N@H+](C)CCN[C@H](C)C[C@H](C)[NH3+] ZINC000422791416 387692332 /nfs/dbraw/zinc/69/23/32/387692332.db2.gz YJBUOAXNECYGDC-NWDGAFQWSA-N 2 0 231.384 0.670 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000422792726 387696604 /nfs/dbraw/zinc/69/66/04/387696604.db2.gz WEUMUKUQYJENGO-NXEZZACHSA-N 2 0 215.341 0.332 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000377739770 387745301 /nfs/dbraw/zinc/74/53/01/387745301.db2.gz BPQSCDIRBPWXKG-VXGBXAGGSA-N 2 0 241.379 0.688 20 0 BCADRP CCC[C@H](C(=O)N[C@@H]1CCC[C@H]1C[NH3+])[NH+](C)C ZINC000422864481 387746540 /nfs/dbraw/zinc/74/65/40/387746540.db2.gz NEOVXFFAMMNSOR-QJPTWQEYSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[C@H](C(=O)NC[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000422794698 387697228 /nfs/dbraw/zinc/69/72/28/387697228.db2.gz ZIWJXOAGPAQPHH-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+][C@H]1CCC[C@H]1NCC[NH+]1CCCCC1 ZINC000422801811 387701544 /nfs/dbraw/zinc/70/15/44/387701544.db2.gz AQLFUHMSHFTCML-NWDGAFQWSA-N 2 0 211.353 0.942 20 0 BCADRP C[C@@H](NCC[NH+]1CCCCC1)C1C[NH2+]C1 ZINC000422801796 387703139 /nfs/dbraw/zinc/70/31/39/387703139.db2.gz APWROVCBGSNPGU-LLVKDONJSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000422814998 387713746 /nfs/dbraw/zinc/71/37/46/387713746.db2.gz WUTCFJWZRLLLOV-MNOVXSKESA-N 2 0 241.379 0.879 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[C@H](C)[NH3+] ZINC000422815411 387714352 /nfs/dbraw/zinc/71/43/52/387714352.db2.gz BMSARJWCPROCHC-WISYIIOYSA-N 2 0 241.379 0.815 20 0 BCADRP CC[C@H](C(=O)NC[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000629614213 387717438 /nfs/dbraw/zinc/71/74/38/387717438.db2.gz IDLOYQMCPHTULZ-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP COC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000127587283 387719452 /nfs/dbraw/zinc/71/94/52/387719452.db2.gz ARZUJHBUGDKXMT-UPJWGTAASA-N 2 0 242.363 0.410 20 0 BCADRP C[C@@H](N[C@H]1CCC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000643522745 387721841 /nfs/dbraw/zinc/72/18/41/387721841.db2.gz BYUAIRTXCAABAM-GRYCIOLGSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H](N[C@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000643522752 387722051 /nfs/dbraw/zinc/72/20/51/387722051.db2.gz BYUAIRTXCAABAM-WOPDTQHZSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC000422830533 387722128 /nfs/dbraw/zinc/72/21/28/387722128.db2.gz IMPJTQBZGOGPFD-LLVKDONJSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000377569247 387729437 /nfs/dbraw/zinc/72/94/37/387729437.db2.gz VNHLPWCEGAGZJG-SBFPOUOMSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C[NH+]1CCC(C)CC1 ZINC000422789509 387731050 /nfs/dbraw/zinc/73/10/50/387731050.db2.gz TXYODGUZBCOSPP-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP COCC[N@H+](C)CCCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422840736 387732056 /nfs/dbraw/zinc/73/20/56/387732056.db2.gz CAFYVSAESPHKPC-RYUDHWBXSA-N 2 0 231.384 0.670 20 0 BCADRP CO[C@@H]1C[C@@H]([NH2+][C@H](C)C2C[NH2+]C2)C1(C)C ZINC000422854298 387736781 /nfs/dbraw/zinc/73/67/81/387736781.db2.gz UAPMQDTVCKMHNY-FBIMIBRVSA-N 2 0 212.337 0.997 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424142709 387737312 /nfs/dbraw/zinc/73/73/12/387737312.db2.gz ITRASRYKDXAVGT-ZDCRXTMVSA-N 2 0 225.336 0.323 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H](C[NH3+])C1CC1)[C@@H](C)[NH3+] ZINC000422854498 387738020 /nfs/dbraw/zinc/73/80/20/387738020.db2.gz AWFNPXPUWQFHKL-MIMYLULJSA-N 2 0 227.352 0.459 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000367648385 387739224 /nfs/dbraw/zinc/73/92/24/387739224.db2.gz HVZRLRIFELEIFD-SECBINFHSA-N 2 0 233.315 0.501 20 0 BCADRP C[NH+](C)CC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000356988880 387762322 /nfs/dbraw/zinc/76/23/22/387762322.db2.gz XXZRSDDGJYVSEF-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000129282706 387766456 /nfs/dbraw/zinc/76/64/56/387766456.db2.gz MHYKSFJBTOZOCN-OUAUKWLOSA-N 2 0 225.336 0.467 20 0 BCADRP CC[C@@H](NCC[N@H+](C)CCOC)[C@@H]1CCC[NH2+]1 ZINC000422913480 387771971 /nfs/dbraw/zinc/77/19/71/387771971.db2.gz YNIXHUWXZMHVEH-OLZOCXBDSA-N 2 0 243.395 0.685 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000441619184 387772618 /nfs/dbraw/zinc/77/26/18/387772618.db2.gz ZLRPFXZTKNFSPB-GMTAPVOTSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000422924092 387777267 /nfs/dbraw/zinc/77/72/67/387777267.db2.gz XQGVVBLIFRGXOW-LPEHRKFASA-N 2 0 225.336 0.465 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000422925110 387778488 /nfs/dbraw/zinc/77/84/88/387778488.db2.gz ZQYPNJBWYFFVJJ-QWRGUYRKSA-N 2 0 239.363 0.857 20 0 BCADRP CC(C)N1C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])CC1=O ZINC000422927214 387780068 /nfs/dbraw/zinc/78/00/68/387780068.db2.gz YKADLUQMUWJRPV-DCAQKATOSA-N 2 0 227.352 0.711 20 0 BCADRP CC(C)NC(=O)CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422948055 387781651 /nfs/dbraw/zinc/78/16/51/387781651.db2.gz ZIAQJPMIHLHRJZ-NWDGAFQWSA-N 2 0 241.379 0.879 20 0 BCADRP C[NH+](C)CCCCNC(=O)C[NH+](C)C ZINC000442649254 387812495 /nfs/dbraw/zinc/81/24/95/387812495.db2.gz LGOBQRRDWREPIE-UHFFFAOYSA-N 2 0 201.314 0.006 20 0 BCADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](C)C)C1 ZINC000564049964 387812494 /nfs/dbraw/zinc/81/24/94/387812494.db2.gz VSZQAJWBWPZACB-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130932450 387783193 /nfs/dbraw/zinc/78/31/93/387783193.db2.gz CZAULXQRYHASPJ-KXNHARMFSA-N 2 0 239.363 0.522 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)[C@H]2CCCO2)CC[N@@H+]1C ZINC000527958134 387785028 /nfs/dbraw/zinc/78/50/28/387785028.db2.gz UZGDUKBZNPFVMZ-FDYHWXHSSA-N 2 0 242.363 0.599 20 0 BCADRP O=C(C1C[NH2+]C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378644324 387791526 /nfs/dbraw/zinc/79/15/26/387791526.db2.gz XTUYTGOPITYABM-PWSUYJOCSA-N 2 0 237.347 0.196 20 0 BCADRP CC[C@@H](NC[C@H](O)C[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422980250 387792040 /nfs/dbraw/zinc/79/20/40/387792040.db2.gz OZBUHILMJAJWNB-TUAOUCFPSA-N 2 0 229.368 0.029 20 0 BCADRP CC[C@@H]([NH2+]C[C@](C)(O)CCOC)[C@@H]1CCC[NH2+]1 ZINC000422982444 387793876 /nfs/dbraw/zinc/79/38/76/387793876.db2.gz WUILKFMGFPZRCS-FRRDWIJNSA-N 2 0 244.379 0.894 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCn1cccn1 ZINC000422985199 387795535 /nfs/dbraw/zinc/79/55/35/387795535.db2.gz CNJYKVDHKAJHHY-RYUDHWBXSA-N 2 0 222.336 0.861 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCn1cccn1 ZINC000422985197 387795715 /nfs/dbraw/zinc/79/57/15/387795715.db2.gz CNJYKVDHKAJHHY-NEPJUHHUSA-N 2 0 222.336 0.861 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000432527710 387799505 /nfs/dbraw/zinc/79/95/05/387799505.db2.gz RGYIRXLHPYSHJW-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCC[NH3+] ZINC000309496310 387810573 /nfs/dbraw/zinc/81/05/73/387810573.db2.gz TZZXIDDNAVQPRT-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP [NH3+]C1(CNC(=O)N2CC[NH2+]CC2)CCCCC1 ZINC000418301613 387811261 /nfs/dbraw/zinc/81/12/61/387811261.db2.gz YQZLEGOHZNKPSL-UHFFFAOYSA-N 2 0 240.351 0.263 20 0 BCADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H](C)[NH3+] ZINC000643526927 387760572 /nfs/dbraw/zinc/76/05/72/387760572.db2.gz HQIDEHMUBMUOGF-MNOVXSKESA-N 2 0 210.325 0.845 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000422972577 387820678 /nfs/dbraw/zinc/82/06/78/387820678.db2.gz MGOJVPXEYFPPQV-FRRDWIJNSA-N 2 0 241.379 0.031 20 0 BCADRP C[C@H](CO)[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422972995 387821229 /nfs/dbraw/zinc/82/12/29/387821229.db2.gz NKOHLSXJTRPROM-MDZLAQPJSA-N 2 0 222.332 0.915 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NCC[NH2+]C ZINC000418321258 387822255 /nfs/dbraw/zinc/82/22/55/387822255.db2.gz YEYQIIVADTZAFA-SECBINFHSA-N 2 0 216.329 0.023 20 0 BCADRP C[C@@H](CO)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422974631 387824471 /nfs/dbraw/zinc/82/44/71/387824471.db2.gz RJZUTYJOTLWZQX-GMTAPVOTSA-N 2 0 200.326 0.735 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442721963 387829277 /nfs/dbraw/zinc/82/92/77/387829277.db2.gz WSQLBLDFDIYSMB-GRYCIOLGSA-N 2 0 239.363 0.857 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000423010298 387834505 /nfs/dbraw/zinc/83/45/05/387834505.db2.gz XKHNECMVCMHBDO-QWRGUYRKSA-N 2 0 220.320 0.963 20 0 BCADRP CNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000643479058 387834575 /nfs/dbraw/zinc/83/45/75/387834575.db2.gz YNOVORMYFJUSQL-VWYCJHECSA-N 2 0 229.368 0.863 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C[N@@H+]1C1CC1 ZINC000424158631 387836472 /nfs/dbraw/zinc/83/64/72/387836472.db2.gz UDEDJAXJICGKGW-URPMGSGRSA-N 2 0 223.320 0.075 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)Cn1cccn1 ZINC000629529898 387873708 /nfs/dbraw/zinc/87/37/08/387873708.db2.gz PXAPVDPOLTZHMT-NSHDSACASA-N 2 0 226.324 0.097 20 0 BCADRP CC[C@H]([NH2+]CC[C@@H](O)COC)[C@@H]1CCC[NH2+]1 ZINC000423024750 387843959 /nfs/dbraw/zinc/84/39/59/387843959.db2.gz MLQXBXWMZAIDQS-WOPDTQHZSA-N 2 0 230.352 0.504 20 0 BCADRP CC[C@H]([NH2+]CCOCC[NH2+]C)c1ccn(C)n1 ZINC000629529465 387874051 /nfs/dbraw/zinc/87/40/51/387874051.db2.gz DCDJRFMHGYWNSC-NSHDSACASA-N 2 0 240.351 0.697 20 0 BCADRP C[N@H+]1C[C@@H]2C[NH+](CCCn3ccnc3)C[C@@H]2C1 ZINC000193632490 387858863 /nfs/dbraw/zinc/85/88/63/387858863.db2.gz CIOOUVXPMUITFD-BETUJISGSA-N 2 0 234.347 0.767 20 0 BCADRP CCCNC(=O)[C@@H](C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193634063 387859296 /nfs/dbraw/zinc/85/92/96/387859296.db2.gz SOTDLPHCWFSOJN-UTUOFQBUSA-N 2 0 239.363 0.395 20 0 BCADRP CSC[C@H](O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193645623 387859419 /nfs/dbraw/zinc/85/94/19/387859419.db2.gz HUVKVWJSEBCEQQ-OUAUKWLOSA-N 2 0 230.377 0.204 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424171138 387862990 /nfs/dbraw/zinc/86/29/90/387862990.db2.gz IXMRYRDUJYMTIF-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@@H]1CCNCC1(F)F ZINC000424172278 387865208 /nfs/dbraw/zinc/86/52/08/387865208.db2.gz LLWKTJRRKZJYEN-SFYZADRCSA-N 2 0 235.278 0.085 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000433116389 387866507 /nfs/dbraw/zinc/86/65/07/387866507.db2.gz KUKVNNGBPKKLSW-JQWIXIFHSA-N 2 0 229.368 0.707 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H](C[NH3+])C(C)C ZINC000433125275 387867154 /nfs/dbraw/zinc/86/71/54/387867154.db2.gz IXPUBFUQGJOQKB-JTQLQIEISA-N 2 0 229.368 0.851 20 0 BCADRP C[C@H](N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000643536238 387867191 /nfs/dbraw/zinc/86/71/91/387867191.db2.gz OZYMGANMVXZUOY-SDDRHHMPSA-N 2 0 223.364 0.859 20 0 BCADRP CO[C@H](C)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423061903 387867358 /nfs/dbraw/zinc/86/73/58/387867358.db2.gz RWNLYSSEJXSWQK-HBNTYKKESA-N 2 0 200.326 0.999 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000433122630 387867856 /nfs/dbraw/zinc/86/78/56/387867856.db2.gz WKNYRRFHJCZOLW-AXFHLTTASA-N 2 0 227.352 0.413 20 0 BCADRP C[C@@H]1CC[C@H](C[N@@H+]2CCCO[C@@H](C[NH3+])C2)O1 ZINC000313335805 387870615 /nfs/dbraw/zinc/87/06/15/387870615.db2.gz BSVHGJTVEPWUPX-UTUOFQBUSA-N 2 0 228.336 0.604 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NCCOCC[NH+](C)C ZINC000423075737 387874763 /nfs/dbraw/zinc/87/47/63/387874763.db2.gz XSYFXSVQYJSBMQ-NEPJUHHUSA-N 2 0 229.368 0.152 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000629529758 387872286 /nfs/dbraw/zinc/87/22/86/387872286.db2.gz MGOFMCILEJNOAL-WDEREUQCSA-N 2 0 216.325 0.380 20 0 BCADRP C[C@H]([NH3+])CN1CCC[C@@H](Cn2cncn2)C1 ZINC000442659393 387813941 /nfs/dbraw/zinc/81/39/41/387813941.db2.gz BMHPGKWBHCYAFI-WDEREUQCSA-N 2 0 223.324 0.337 20 0 BCADRP CC[C@@H]1CN(C[C@@H](C)[NH3+])CC[N@@H+]1CCOC ZINC000442654357 387814019 /nfs/dbraw/zinc/81/40/19/387814019.db2.gz BFIHYMWILKSGTA-VXGBXAGGSA-N 2 0 229.368 0.376 20 0 BCADRP CC(C)C(=O)NC[C@H]1CCCN(C[C@@H](C)[NH3+])C1 ZINC000442659137 387814463 /nfs/dbraw/zinc/81/44/63/387814463.db2.gz KJDHGZHDMOHEPE-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]([NH3+])CN1CCC[C@@H](Cn2cncn2)C1 ZINC000442659388 387815116 /nfs/dbraw/zinc/81/51/16/387815116.db2.gz BMHPGKWBHCYAFI-GHMZBOCLSA-N 2 0 223.324 0.337 20 0 BCADRP CC(C)OCC[NH+]1CCN(C[C@@H](C)[NH3+])CC1 ZINC000442665500 387817442 /nfs/dbraw/zinc/81/74/42/387817442.db2.gz PCNVUPFEJKDPEN-GFCCVEGCSA-N 2 0 229.368 0.376 20 0 BCADRP C[C@@H]1C[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C[N@@H+]1C1CC1 ZINC000643537567 387872902 /nfs/dbraw/zinc/87/29/02/387872902.db2.gz LTQMSUYWXIRTEM-RHYQMDGZSA-N 2 0 241.354 0.901 20 0 BCADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](C)O ZINC000422968760 387818949 /nfs/dbraw/zinc/81/89/49/387818949.db2.gz XNCIJNSMXMPAOG-LOWVWBTDSA-N 2 0 222.332 0.915 20 0 BCADRP CCOCC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000444645120 387893504 /nfs/dbraw/zinc/89/35/04/387893504.db2.gz XCPWKGNXRJEFDH-CHWSQXEVSA-N 2 0 244.379 0.657 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000424181172 387893706 /nfs/dbraw/zinc/89/37/06/387893706.db2.gz XDDYSRGBXASULS-YNEHKIRRSA-N 2 0 245.326 0.337 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537370 387875180 /nfs/dbraw/zinc/87/51/80/387875180.db2.gz GGAHJMNPXJNKJY-NAKRPEOUSA-N 2 0 215.316 0.226 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538402 387876208 /nfs/dbraw/zinc/87/62/08/387876208.db2.gz JIXYQSHESIDSTG-NOOOWODRSA-N 2 0 229.343 0.794 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538401 387876258 /nfs/dbraw/zinc/87/62/58/387876258.db2.gz JIXYQSHESIDSTG-FIQHERPVSA-N 2 0 229.343 0.794 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538392 387876470 /nfs/dbraw/zinc/87/64/70/387876470.db2.gz JDQMZCODOILRNF-NOOOWODRSA-N 2 0 229.343 0.664 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000643538756 387877531 /nfs/dbraw/zinc/87/75/31/387877531.db2.gz UOKUIIBRMGFDCF-VWYCJHECSA-N 2 0 217.332 0.794 20 0 BCADRP CO[C@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000643539130 387877751 /nfs/dbraw/zinc/87/77/51/387877751.db2.gz RUDLMTDLINQTHZ-KKJSVHSVSA-N 2 0 210.321 0.751 20 0 BCADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000423082058 387878634 /nfs/dbraw/zinc/87/86/34/387878634.db2.gz CJDTXFNQDNRYHD-WRWGMCAJSA-N 2 0 240.347 0.916 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000157864147 387879701 /nfs/dbraw/zinc/87/97/01/387879701.db2.gz BZLFGZOCQVVPIX-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(=O)n1C ZINC000423086559 387880816 /nfs/dbraw/zinc/88/08/16/387880816.db2.gz MDHNMPVKEBBUBO-DGCLKSJQSA-N 2 0 249.358 0.911 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCN1CC=CCC1 ZINC000423094544 387885244 /nfs/dbraw/zinc/88/52/44/387885244.db2.gz KJDWDJUSJMLSPO-NWDGAFQWSA-N 2 0 211.353 0.964 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NCC[N@H+]1CC=CCC1 ZINC000423095245 387885797 /nfs/dbraw/zinc/88/57/97/387885797.db2.gz LTDVYGBIVFBPTD-OLZOCXBDSA-N 2 0 223.364 0.836 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CC(=O)N2CCCC[C@H]12 ZINC000423116662 387898733 /nfs/dbraw/zinc/89/87/33/387898733.db2.gz QXOBSBBEGDVMIN-FIQHERPVSA-N 2 0 239.363 0.855 20 0 BCADRP CC(C)[C@@H](CO)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423101064 387886735 /nfs/dbraw/zinc/88/67/35/387886735.db2.gz CIAOOZOTUGTPOR-UTUOFQBUSA-N 2 0 214.353 0.981 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000423116663 387899185 /nfs/dbraw/zinc/89/91/85/387899185.db2.gz QXOBSBBEGDVMIN-NNYUYHANSA-N 2 0 239.363 0.855 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)CC1CC[NH2+]CC1 ZINC000236616546 387899624 /nfs/dbraw/zinc/89/96/24/387899624.db2.gz DAVHMAKBLRDTTJ-LBPRGKRZSA-N 2 0 241.379 0.866 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236889844 387911047 /nfs/dbraw/zinc/91/10/47/387911047.db2.gz VZBUCQTYHMLWGZ-AYLPWXGPSA-N 2 0 239.363 0.855 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195231368 387911701 /nfs/dbraw/zinc/91/17/01/387911701.db2.gz ZCBNDKSKZLUVEH-KXUCPTDWSA-N 2 0 225.336 0.038 20 0 BCADRP C[NH+](C)CCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418344787 387917126 /nfs/dbraw/zinc/91/71/26/387917126.db2.gz KXKQERNCBYLEGE-NSHDSACASA-N 2 0 242.367 0.237 20 0 BCADRP COc1ncccc1CC[NH2+]C1CC[NH2+]CC1 ZINC000423140025 387917480 /nfs/dbraw/zinc/91/74/80/387917480.db2.gz LZTHPOXUCOGZBZ-UHFFFAOYSA-N 2 0 235.331 0.974 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000237929721 387929377 /nfs/dbraw/zinc/92/93/77/387929377.db2.gz DHBJQTMPYDSTFI-MNOVXSKESA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+]C[C@@H](C(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000238009503 387931352 /nfs/dbraw/zinc/93/13/52/387931352.db2.gz ZJWZGOTVEDERED-CYBMUJFWSA-N 2 0 247.342 0.679 20 0 BCADRP CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423153886 387932178 /nfs/dbraw/zinc/93/21/78/387932178.db2.gz IJUWMWZAJFKSGF-LNFKQOIKSA-N 2 0 216.325 0.506 20 0 BCADRP [NH3+]CCC[C@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])c1ccccc1 ZINC000424197306 387921963 /nfs/dbraw/zinc/92/19/63/387921963.db2.gz OATHPODBSNGYDG-AGIUHOORSA-N 2 0 247.342 0.930 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C[NH3+])Cc1ccccc1 ZINC000237136634 387922100 /nfs/dbraw/zinc/92/21/00/387922100.db2.gz IXOMEICPBZWBOA-GFCCVEGCSA-N 2 0 235.331 0.234 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423147592 387924102 /nfs/dbraw/zinc/92/41/02/387924102.db2.gz DAVDOMCELHXEIT-LPWJVIDDSA-N 2 0 241.379 0.565 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000237199681 387924978 /nfs/dbraw/zinc/92/49/78/387924978.db2.gz IOQQXIDIMCSPAP-GHMZBOCLSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H](CC(=O)N1CC[C@@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000237337922 387925729 /nfs/dbraw/zinc/92/57/29/387925729.db2.gz HNACABGVFAVCNO-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCC[NH2+]1 ZINC000237963909 387927786 /nfs/dbraw/zinc/92/77/86/387927786.db2.gz ZXNINIQQSCDDEC-MBYGNEARSA-N 2 0 237.347 0.528 20 0 BCADRP C[C@H]1CC2(C[N@@H+]1CCOCC[NH3+])CC[NH2+]CC2 ZINC000424284609 387952865 /nfs/dbraw/zinc/95/28/65/387952865.db2.gz DHOJYCUAEIGPIO-LBPRGKRZSA-N 3 0 241.379 0.426 20 0 BCADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2C[NH2+]CCO2)c1 ZINC000424226749 387940069 /nfs/dbraw/zinc/94/00/69/387940069.db2.gz SHTZZXCVSWWNAQ-LBPRGKRZSA-N 2 0 249.314 0.381 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424232664 387941264 /nfs/dbraw/zinc/94/12/64/387941264.db2.gz DLOFZXUSPFQOCG-IRCOFANPSA-N 2 0 239.363 0.890 20 0 BCADRP [NH3+]C1(CC(=O)NCCNc2cc[nH+]cc2)CCC1 ZINC000645643589 387950298 /nfs/dbraw/zinc/95/02/98/387950298.db2.gz YVMSWGXCVDARFQ-UHFFFAOYSA-N 2 0 248.330 0.303 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)C2C[NH2+]C2)C[C@@H]1C[NH3+] ZINC000424277775 387950781 /nfs/dbraw/zinc/95/07/81/387950781.db2.gz DBTVRCGSSJXPCC-UTLUCORTSA-N 2 0 225.336 0.038 20 0 BCADRP c1cn([C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)nn1 ZINC000424298378 387959001 /nfs/dbraw/zinc/95/90/01/387959001.db2.gz DBRVWOLQPJOLHE-QWHCGFSZSA-N 2 0 249.362 0.915 20 0 BCADRP c1cn([C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC000424299230 387959079 /nfs/dbraw/zinc/95/90/79/387959079.db2.gz DTHREFWWLWHRTA-CHWSQXEVSA-N 2 0 249.362 0.915 20 0 BCADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)[C@H]1C[C@H]1C ZINC000423176989 387961470 /nfs/dbraw/zinc/96/14/70/387961470.db2.gz DGPLWRIDQVCBOG-UPJWGTAASA-N 2 0 225.380 0.916 20 0 BCADRP C[C@H](NCCCN1CC[NH2+]CC1)[C@H]1CCC[NH2+]1 ZINC000423176039 387962060 /nfs/dbraw/zinc/96/20/60/387962060.db2.gz BQEYFYDKYKEDSN-QWHCGFSZSA-N 2 0 240.395 0.012 20 0 BCADRP CC[C@@H](C)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424303343 387962657 /nfs/dbraw/zinc/96/26/57/387962657.db2.gz ZQDBSXSPPUDGDZ-ADEWGFFLSA-N 2 0 222.336 0.945 20 0 BCADRP COC[C@H]([NH2+]CCCN1CC[NH2+]CC1)C(C)C ZINC000423184988 387969519 /nfs/dbraw/zinc/96/95/19/387969519.db2.gz UJFAJSZHSVSATR-ZDUSSCGKSA-N 2 0 243.395 0.542 20 0 BCADRP COC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)C1CC1 ZINC000423186730 387971916 /nfs/dbraw/zinc/97/19/16/387971916.db2.gz XATQZCAGCALIRD-CYBMUJFWSA-N 2 0 241.379 0.296 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC[C@H]1CCC[NH2+]C1 ZINC000424336864 387979664 /nfs/dbraw/zinc/97/96/64/387979664.db2.gz RGNNLCOQZHLFNR-QJPTWQEYSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCCN2CC[NH2+]CC2)[C@@H]1C ZINC000423193828 387980424 /nfs/dbraw/zinc/98/04/24/387980424.db2.gz XFIZVBRUZDETNK-UPJWGTAASA-N 2 0 225.380 0.916 20 0 BCADRP C[N@@H+]1CC[C@H](NCCC[NH3+])[C@H]2CCC[C@H]21 ZINC000423189177 387974505 /nfs/dbraw/zinc/97/45/05/387974505.db2.gz MRTYEZGPNSJSJA-GRYCIOLGSA-N 2 0 211.353 0.798 20 0 BCADRP CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)C(C)C ZINC000423201142 387988022 /nfs/dbraw/zinc/98/80/22/387988022.db2.gz HRXLITIFLUJITG-GFCCVEGCSA-N 2 0 213.369 0.916 20 0 BCADRP CN1CC[C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)CC1=O ZINC000424368328 387992180 /nfs/dbraw/zinc/99/21/80/387992180.db2.gz BACQURBKCCEIQS-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP COC[C@@H]([NH2+]CCN1CC[NH2+]CC1)C(C)C ZINC000423211067 387995560 /nfs/dbraw/zinc/99/55/60/387995560.db2.gz XUVOLLLEOLFPLN-GFCCVEGCSA-N 2 0 229.368 0.152 20 0 BCADRP C[C@@H]([NH2+]CCCCS(C)(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000424375676 387998891 /nfs/dbraw/zinc/99/88/91/387998891.db2.gz KQLUETJBFQEOFV-MNOVXSKESA-N 2 0 248.392 0.541 20 0 BCADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C2)[C@@H]2CCC[C@H]21 ZINC000423217920 387999219 /nfs/dbraw/zinc/99/92/19/387999219.db2.gz STSMDFUDXQTYRF-MROQNXINSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@H]1CC2(C[N@@H+]1Cc1cn(C)nn1)CC[NH2+]CC2 ZINC000424383870 388000863 /nfs/dbraw/zinc/00/08/63/388000863.db2.gz UQQMHXYXOUQXFR-NSHDSACASA-N 2 0 249.362 0.779 20 0 BCADRP CN1CC[C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1=O ZINC000424382741 388001231 /nfs/dbraw/zinc/00/12/31/388001231.db2.gz SLGODUMFAFGHGQ-SRVKXCTJSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424387304 388001300 /nfs/dbraw/zinc/00/13/00/388001300.db2.gz YMXWDIVSRJJBCK-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1=O ZINC000424382740 388001489 /nfs/dbraw/zinc/00/14/89/388001489.db2.gz SLGODUMFAFGHGQ-SDDRHHMPSA-N 2 0 239.363 0.572 20 0 BCADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C2)[C@H]1C ZINC000423219966 388002555 /nfs/dbraw/zinc/00/25/55/388002555.db2.gz XDIDNJGTCLNWHS-YFKTTZPYSA-N 2 0 240.347 0.916 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000446139379 388003771 /nfs/dbraw/zinc/00/37/71/388003771.db2.gz NYMWPVVPDALXSL-OUAUKWLOSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@H]([NH3+])CCN[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423226369 388010185 /nfs/dbraw/zinc/01/01/85/388010185.db2.gz QMERZEOKSUIOCO-JFGNBEQYSA-N 2 0 211.353 0.796 20 0 BCADRP C[C@H](NC[C@@H]1CCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000423241697 388024095 /nfs/dbraw/zinc/02/40/95/388024095.db2.gz VFTRVJCMGOJYQE-SRVKXCTJSA-N 2 0 211.353 0.859 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000156617405 388011897 /nfs/dbraw/zinc/01/18/97/388011897.db2.gz WEVZKWFKILNGDC-RYUDHWBXSA-N 2 0 241.379 0.912 20 0 BCADRP CO[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000253236609 135124918 /nfs/dbraw/zinc/12/49/18/135124918.db2.gz FDINCDHGFSZXJZ-MXWKQRLJSA-N 2 0 200.326 0.951 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424472992 388015983 /nfs/dbraw/zinc/01/59/83/388015983.db2.gz GLMOUEAVCJHHPB-HBNTYKKESA-N 2 0 242.367 0.411 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000082280861 388021739 /nfs/dbraw/zinc/02/17/39/388021739.db2.gz GCTFHCBPRPABMH-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000423256155 388036471 /nfs/dbraw/zinc/03/64/71/388036471.db2.gz BISHUBWNVGECCL-WDEREUQCSA-N 2 0 239.367 0.847 20 0 BCADRP COCC[N@@H+]1CC[C@@H](N[C@@H](C[NH3+])CC(C)C)C1 ZINC000423257920 388037903 /nfs/dbraw/zinc/03/79/03/388037903.db2.gz ASNHBGLNSFKRTQ-CHWSQXEVSA-N 2 0 243.395 0.670 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423258244 388038127 /nfs/dbraw/zinc/03/81/27/388038127.db2.gz LVIMEVUCVWIXEX-UPJWGTAASA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423258242 388039450 /nfs/dbraw/zinc/03/94/50/388039450.db2.gz LVIMEVUCVWIXEX-FRRDWIJNSA-N 2 0 225.380 0.916 20 0 BCADRP CC(C)C[C@H](C[NH3+])N[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000423262667 388040535 /nfs/dbraw/zinc/04/05/35/388040535.db2.gz NCRRWYYDAUMBJU-QJPTWQEYSA-N 2 0 213.369 0.900 20 0 BCADRP CC[N@H+]1C[C@H](NC[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000423244460 388028095 /nfs/dbraw/zinc/02/80/95/388028095.db2.gz XNZPYUYKRNKLMG-SRVKXCTJSA-N 2 0 211.353 0.668 20 0 BCADRP CC[NH2+]CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000423248499 388031575 /nfs/dbraw/zinc/03/15/75/388031575.db2.gz QTXPDDVKCWKNND-QJPTWQEYSA-N 2 0 213.369 0.914 20 0 BCADRP CC[NH2+]CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000423248498 388031862 /nfs/dbraw/zinc/03/18/62/388031862.db2.gz QTXPDDVKCWKNND-IJLUTSLNSA-N 2 0 213.369 0.914 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423278171 388060735 /nfs/dbraw/zinc/06/07/35/388060735.db2.gz QRDJZFOQJFSKAE-UPJWGTAASA-N 2 0 225.380 0.964 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C1([NH3+])CC1 ZINC000083834473 388064117 /nfs/dbraw/zinc/06/41/17/388064117.db2.gz HIWGKKIDIWAIMN-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](O)C2)[C@@H]2CCC[C@H]21 ZINC000453376897 388064637 /nfs/dbraw/zinc/06/46/37/388064637.db2.gz VFTCRMUTVJAGGO-FPYNETTCSA-N 2 0 224.348 0.972 20 0 BCADRP C[C@H]([NH3+])C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000083889464 388065033 /nfs/dbraw/zinc/06/50/33/388065033.db2.gz GGHAWMYVXDZGFK-VIFPVBQESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCC(C)(C)[NH3+] ZINC000423286467 388071566 /nfs/dbraw/zinc/07/15/66/388071566.db2.gz HOALSQHSCUDTSM-GXSJLCMTSA-N 2 0 211.353 0.796 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCN2CCCC[C@H]2C1 ZINC000084200506 388073475 /nfs/dbraw/zinc/07/34/75/388073475.db2.gz GAUZJXQHBWPESP-QWRGUYRKSA-N 2 0 225.336 0.420 20 0 BCADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423293839 388076267 /nfs/dbraw/zinc/07/62/67/388076267.db2.gz AVWZBVQWWSKIQY-MNOVXSKESA-N 2 0 229.368 0.818 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423297487 388079765 /nfs/dbraw/zinc/07/97/65/388079765.db2.gz KLVPDUYVCRDUDG-PWSUYJOCSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CCCOC1 ZINC000447598155 388082046 /nfs/dbraw/zinc/08/20/46/388082046.db2.gz UOKLKBSLBKFDRW-OLZOCXBDSA-N 2 0 244.379 0.969 20 0 BCADRP CC(C)[C@](C)(CN)[NH2+]CCCS(C)(=O)=O ZINC000336659226 388082578 /nfs/dbraw/zinc/08/25/78/388082578.db2.gz IYJYBUGWARXWTJ-JTQLQIEISA-N 2 0 236.381 0.384 20 0 BCADRP C[N@H+](CCN1CCOCC1)CC(C)(C)C[NH3+] ZINC000086638171 388105582 /nfs/dbraw/zinc/10/55/82/388105582.db2.gz IXUPBDUGMXJBFK-UHFFFAOYSA-N 2 0 229.368 0.235 20 0 BCADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC[NH3+] ZINC000086932303 388111340 /nfs/dbraw/zinc/11/13/40/388111340.db2.gz FTGYNEFEGFUWFR-WDEREUQCSA-N 2 0 225.336 0.420 20 0 BCADRP COC[C@H]([NH3+])C(=O)Nc1ccc2nccn2c1 ZINC000645975655 388112035 /nfs/dbraw/zinc/11/20/35/388112035.db2.gz NSZXDUZJZGVMKX-VIFPVBQESA-N 2 0 234.259 0.247 20 0 BCADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCN(CCOC)C1 ZINC000423267081 388046294 /nfs/dbraw/zinc/04/62/94/388046294.db2.gz DUETVWZLYXVYGM-NEPJUHHUSA-N 2 0 229.368 0.152 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H](C)[NH2+]C1CC1 ZINC000449379701 388187617 /nfs/dbraw/zinc/18/76/17/388187617.db2.gz JQKDMVNFDQEOJV-JQWIXIFHSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000646185813 388161158 /nfs/dbraw/zinc/16/11/58/388161158.db2.gz KJLRIYRAYGYGDL-GARJFASQSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000646195861 388162557 /nfs/dbraw/zinc/16/25/57/388162557.db2.gz LGPPUDRVHBAIHC-AXFHLTTASA-N 2 0 242.367 0.554 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646203884 388163903 /nfs/dbraw/zinc/16/39/03/388163903.db2.gz AOYYKZJRXSEXHD-HBNTYKKESA-N 2 0 242.367 0.554 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646203882 388163999 /nfs/dbraw/zinc/16/39/99/388163999.db2.gz AOYYKZJRXSEXHD-DCAQKATOSA-N 2 0 242.367 0.554 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@H](C)[NH+](C)C ZINC000449332436 388174113 /nfs/dbraw/zinc/17/41/13/388174113.db2.gz DGVGQMOLYPHVRL-VHSXEESVSA-N 2 0 215.341 0.441 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C1([NH3+])CCC1)C1CC1 ZINC000449330522 388174496 /nfs/dbraw/zinc/17/44/96/388174496.db2.gz ULHVKHMRSMPORH-JTQLQIEISA-N 2 0 225.336 0.324 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CC(C)(C)[NH3+])[C@H]2C1 ZINC000646297374 388178245 /nfs/dbraw/zinc/17/82/45/388178245.db2.gz DRFSKJCLNPIYMX-MNOVXSKESA-N 2 0 239.363 0.666 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000449358162 388181799 /nfs/dbraw/zinc/18/17/99/388181799.db2.gz FBZOGQDQMMNFKQ-CMPLNLGQSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H](C)CC[NH3+] ZINC000449372204 388184810 /nfs/dbraw/zinc/18/48/10/388184810.db2.gz DKEXNRZVIFYSHA-UWVGGRQHSA-N 2 0 229.368 0.864 20 0 BCADRP CC[C@@H](CO)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000163981163 388116851 /nfs/dbraw/zinc/11/68/51/388116851.db2.gz WNDHGJBZHXQZDZ-GARJFASQSA-N 2 0 200.326 0.864 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)[N@H+](C)C1CC1 ZINC000645906575 388123542 /nfs/dbraw/zinc/12/35/42/388123542.db2.gz SZUFQVJYMMEFJI-ONGXEEELSA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)CCC[NH2+]C ZINC000646011866 388124304 /nfs/dbraw/zinc/12/43/04/388124304.db2.gz ADWGKFVGNCSHMH-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449058694 388136785 /nfs/dbraw/zinc/13/67/85/388136785.db2.gz LIMJMDXNHOGMKR-TUAOUCFPSA-N 2 0 239.363 0.844 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000449061895 388137263 /nfs/dbraw/zinc/13/72/63/388137263.db2.gz WWRMWHNWVBKZQS-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000449061894 388137273 /nfs/dbraw/zinc/13/72/73/388137273.db2.gz WWRMWHNWVBKZQS-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000449074486 388139954 /nfs/dbraw/zinc/13/99/54/388139954.db2.gz PFSSOZCXHARAFT-VHSXEESVSA-N 2 0 213.325 0.243 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000449085089 388140783 /nfs/dbraw/zinc/14/07/83/388140783.db2.gz KENNZTNJVBQFLQ-MWLCHTKSSA-N 2 0 225.336 0.467 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[NH2+]C[C@H]1C ZINC000449084949 388140787 /nfs/dbraw/zinc/14/07/87/388140787.db2.gz JVJXRUYAHGMAPT-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000449098317 388142260 /nfs/dbraw/zinc/14/22/60/388142260.db2.gz PFRVEJGEZVLGBK-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000449101485 388142897 /nfs/dbraw/zinc/14/28/97/388142897.db2.gz FKQZSAOAOUVALM-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP CCCN(C(=O)[C@@H](C)[NH2+]C1CC1)[C@@H]1CC[NH2+]C1 ZINC000449105723 388143021 /nfs/dbraw/zinc/14/30/21/388143021.db2.gz FFEVMAFBZGNBGM-ZYHUDNBSSA-N 2 0 239.363 0.727 20 0 BCADRP COCCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103782 388143215 /nfs/dbraw/zinc/14/32/15/388143215.db2.gz OKUNDZCYXUZGAL-UHFFFAOYSA-N 2 0 242.363 0.820 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000449106563 388143769 /nfs/dbraw/zinc/14/37/69/388143769.db2.gz IOQDWFUQXONUJQ-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000449106683 388143802 /nfs/dbraw/zinc/14/38/02/388143802.db2.gz IUWJAFCPKHXNBP-RAIGVLPGSA-N 2 0 247.342 0.658 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000449123654 388144701 /nfs/dbraw/zinc/14/47/01/388144701.db2.gz DKOZXGXGFGJUBE-WCBMZHEXSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000449117230 388144882 /nfs/dbraw/zinc/14/48/82/388144882.db2.gz TVZHGWNPUMZVSC-QWRGUYRKSA-N 2 0 243.395 0.982 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC[N@H+](C)C(C)C ZINC000449116238 388144923 /nfs/dbraw/zinc/14/49/23/388144923.db2.gz OZBFVSBUSLVHRK-LLVKDONJSA-N 2 0 229.368 0.831 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449121678 388145086 /nfs/dbraw/zinc/14/50/86/388145086.db2.gz INBAFZLUOREMDE-QJPTWQEYSA-N 2 0 241.379 0.994 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000449118014 388145246 /nfs/dbraw/zinc/14/52/46/388145246.db2.gz RASHUYKABHLRRE-GHMZBOCLSA-N 2 0 241.379 0.973 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)[C@H](C)C[NH3+] ZINC000449118332 388145325 /nfs/dbraw/zinc/14/53/25/388145325.db2.gz RULBCKVOBVSDCO-ZJUUUORDSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000449119943 388145336 /nfs/dbraw/zinc/14/53/36/388145336.db2.gz BCXAIJQTZBUEOI-DDHJBXDOSA-N 2 0 239.363 0.428 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000449118409 388145526 /nfs/dbraw/zinc/14/55/26/388145526.db2.gz SKBUDFGRVXMFJW-MNOVXSKESA-N 2 0 229.368 0.864 20 0 BCADRP [NH3+]C[C@H](NC(=O)C[C@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC000449129474 388146043 /nfs/dbraw/zinc/14/60/43/388146043.db2.gz VEHMKXHMLMBOSD-UTUOFQBUSA-N 2 0 239.363 0.748 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000449127454 388146156 /nfs/dbraw/zinc/14/61/56/388146156.db2.gz WSGZGINVBDCCEK-GMTAPVOTSA-N 2 0 227.352 0.618 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000449132177 388146759 /nfs/dbraw/zinc/14/67/59/388146759.db2.gz SKDGYQAOPVBNJF-TUAOUCFPSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC[C@H]1C[NH3+] ZINC000449133427 388147116 /nfs/dbraw/zinc/14/71/16/388147116.db2.gz YKUBZRGUNCCTGI-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)([NH3+])CNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449131490 388147181 /nfs/dbraw/zinc/14/71/81/388147181.db2.gz MZNQKECHIDNUPN-NXEZZACHSA-N 2 0 227.352 0.748 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449143411 388148139 /nfs/dbraw/zinc/14/81/39/388148139.db2.gz WVRLUHKQWFJZLB-OUAUKWLOSA-N 2 0 227.352 0.476 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000449148951 388149372 /nfs/dbraw/zinc/14/93/72/388149372.db2.gz VNTCYRQOYNQLHC-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP Cc1cncc(C[NH+]2CCC(O)(C[NH3+])CC2)c1 ZINC000396992393 388253482 /nfs/dbraw/zinc/25/34/82/388253482.db2.gz VJPFHAOTKKJSPG-UHFFFAOYSA-N 2 0 235.331 0.676 20 0 BCADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000336662756 388260933 /nfs/dbraw/zinc/26/09/33/388260933.db2.gz KPRUOHDWLKEKCX-MWLCHTKSSA-N 2 0 222.336 0.982 20 0 BCADRP CC[C@](C)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)OC ZINC000322988526 388258197 /nfs/dbraw/zinc/25/81/97/388258197.db2.gz CGJIVWQLTNACBF-QWHCGFSZSA-N 2 0 244.379 0.848 20 0 BCADRP CCOC[C@H](C)[NH2+]C[C@@H]1CCCN1CCCO ZINC000449387896 388190470 /nfs/dbraw/zinc/19/04/70/388190470.db2.gz NKDBSGFAYSBFLU-STQMWFEESA-N 2 0 244.379 0.848 20 0 BCADRP OCCCN1CCC[C@@H]1C[NH2+][C@@H]1CCSC1 ZINC000449388034 388190915 /nfs/dbraw/zinc/19/09/15/388190915.db2.gz NTWSGXJQVGYUGX-VXGBXAGGSA-N 2 0 244.404 0.928 20 0 BCADRP C[C@H](CCCO)C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000449408311 388197204 /nfs/dbraw/zinc/19/72/04/388197204.db2.gz NKALJLWBXNVWFO-GRYCIOLGSA-N 2 0 214.353 0.935 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H](C)C[NH3+] ZINC000449485042 388216126 /nfs/dbraw/zinc/21/61/26/388216126.db2.gz KLBVZMHNKFHQQL-IUCAKERBSA-N 2 0 215.341 0.474 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000449497742 388218862 /nfs/dbraw/zinc/21/88/62/388218862.db2.gz RMSAHQLZMDDTLI-AXFHLTTASA-N 2 0 227.352 0.583 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000489512746 388219216 /nfs/dbraw/zinc/21/92/16/388219216.db2.gz OMLNCMQKOXSXJN-SNVBAGLBSA-N 2 0 227.352 0.748 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000449517014 388221840 /nfs/dbraw/zinc/22/18/40/388221840.db2.gz DHZNESRCMZCFJG-UWVGGRQHSA-N 2 0 229.368 0.735 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449518413 388222912 /nfs/dbraw/zinc/22/29/12/388222912.db2.gz JOJMOHRSJZHIRM-OUAUKWLOSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H](C)CCC[NH3+])[NH+](C)C ZINC000449572284 388235757 /nfs/dbraw/zinc/23/57/57/388235757.db2.gz MXVVUZKMXVSIQS-MNOVXSKESA-N 2 0 229.368 0.816 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000449574113 388236112 /nfs/dbraw/zinc/23/61/12/388236112.db2.gz VIUGNZYRAQEPIA-DMDPSCGWSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000449591849 388239022 /nfs/dbraw/zinc/23/90/22/388239022.db2.gz NFJSTVZFIIEXPD-SVNGYHJRSA-N 2 0 239.363 0.759 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000490456473 388239461 /nfs/dbraw/zinc/23/94/61/388239461.db2.gz ZXYDIWSJCXTRNQ-NSHDSACASA-N 2 0 225.336 0.291 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000449598240 388239722 /nfs/dbraw/zinc/23/97/22/388239722.db2.gz BIKLZXSOGXCNEX-GUDRVLHUSA-N 2 0 227.352 0.746 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449604011 388240910 /nfs/dbraw/zinc/24/09/10/388240910.db2.gz SEJIIKADWZCXSJ-LPEHRKFASA-N 2 0 229.368 0.863 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000449607409 388241205 /nfs/dbraw/zinc/24/12/05/388241205.db2.gz ARJHVSVEKNKLPU-OPRDCNLKSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C[N@H+](C)C(C)C ZINC000449608502 388241806 /nfs/dbraw/zinc/24/18/06/388241806.db2.gz IDANXQIBNQQUMK-SECBINFHSA-N 2 0 201.314 0.180 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C(CC)(CC)C[NH3+] ZINC000449610986 388242119 /nfs/dbraw/zinc/24/21/19/388242119.db2.gz SZUXIZSDJNMICR-SECBINFHSA-N 2 0 215.341 0.605 20 0 BCADRP CN(C(=O)CCC1CC[NH2+]CC1)C1CC([NH3+])C1 ZINC000449633278 388246330 /nfs/dbraw/zinc/24/63/30/388246330.db2.gz OZIUQGNDPQRBKW-UHFFFAOYSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1CC[C@@H](C[NH+]2CCC(O)(C[NH3+])CC2)O1 ZINC000397060934 388284226 /nfs/dbraw/zinc/28/42/26/388284226.db2.gz PTZOEYHMWBUPKB-MNOVXSKESA-N 2 0 228.336 0.340 20 0 BCADRP COCCOCCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000163426424 388287616 /nfs/dbraw/zinc/28/76/16/388287616.db2.gz LXVFVWSVHNUJRP-OLZOCXBDSA-N 2 0 244.379 0.969 20 0 BCADRP C[NH+](C)C/C=C\C(=O)NCCC[NH+]1CCCC1 ZINC000491842928 388324661 /nfs/dbraw/zinc/32/46/61/388324661.db2.gz HFOJXYKZHZOXKH-ALCCZGGFSA-N 2 0 239.363 0.706 20 0 BCADRP C[NH+](C)C/C=C/C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000491869758 388325506 /nfs/dbraw/zinc/32/55/06/388325506.db2.gz NLIDYCWPODPNJP-PZBABLGHSA-N 2 0 239.363 0.562 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)/C=C\C[NH+](C)C ZINC000491890739 388326446 /nfs/dbraw/zinc/32/64/46/388326446.db2.gz IBMKDPPDSQSSHG-ZADCQDASSA-N 2 0 227.352 0.561 20 0 BCADRP CN(C(=O)/C=C/C[NH+](C)C)C1CC[NH+](C)CC1 ZINC000491895205 388326733 /nfs/dbraw/zinc/32/67/33/388326733.db2.gz VZWSLGYPUGSUQS-AATRIKPKSA-N 2 0 239.363 0.657 20 0 BCADRP CN(C(=O)/C=C\C[NH+](C)C)C1CC[NH+](C)CC1 ZINC000491895206 388326867 /nfs/dbraw/zinc/32/68/67/388326867.db2.gz VZWSLGYPUGSUQS-WAYWQWQTSA-N 2 0 239.363 0.657 20 0 BCADRP C[C@@H]1CN(C(=O)/C=C\C[NH+](C)C)C[C@@H]1[NH+](C)C ZINC000491901814 388326922 /nfs/dbraw/zinc/32/69/22/388326922.db2.gz CHLPSBXIRHPMDK-PBWNMSGQSA-N 2 0 239.363 0.513 20 0 BCADRP C[C@@H]1CN(C(=O)/C=C/C[NH+](C)C)C[C@@H]1[NH+](C)C ZINC000491901812 388326978 /nfs/dbraw/zinc/32/69/78/388326978.db2.gz CHLPSBXIRHPMDK-JIVBQCDMSA-N 2 0 239.363 0.513 20 0 BCADRP CCC[NH+]1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000491902084 388327046 /nfs/dbraw/zinc/32/70/46/388327046.db2.gz BBZWFKKAKHQNEA-WAYWQWQTSA-N 2 0 239.363 0.658 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646336096 388261535 /nfs/dbraw/zinc/26/15/35/388261535.db2.gz IANJUNKCDHQPKC-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336005 388261990 /nfs/dbraw/zinc/26/19/90/388261990.db2.gz FMCHKZOETMXOMY-HBNTYKKESA-N 2 0 225.336 0.180 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CCC1 ZINC000646336335 388262222 /nfs/dbraw/zinc/26/22/22/388262222.db2.gz OQNDGNMOQSHNOT-GHMZBOCLSA-N 2 0 237.347 0.468 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953274 388269020 /nfs/dbraw/zinc/26/90/20/388269020.db2.gz MXBUIARBKZNVSG-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP O=C(C[NH2+]C1CC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953459 388269055 /nfs/dbraw/zinc/26/90/55/388269055.db2.gz UVHSIOXFHYIZSE-LBPRGKRZSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+]CCCCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953310 388269130 /nfs/dbraw/zinc/26/91/30/388269130.db2.gz OZUTXLCISRWAKB-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000645953239 388269366 /nfs/dbraw/zinc/26/93/66/388269366.db2.gz KTQCAYYXICGKOY-VXGBXAGGSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCC1 ZINC000645953493 388269447 /nfs/dbraw/zinc/26/94/47/388269447.db2.gz VXAYRTCAQMYRTD-LLVKDONJSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646338188 388270118 /nfs/dbraw/zinc/27/01/18/388270118.db2.gz DNLFOFHLCAADCX-WRWGMCAJSA-N 2 0 237.347 0.052 20 0 BCADRP [NH3+][C@H](C(=O)NCC[C@H]1CCC[NH2+]1)C1CCC1 ZINC000516561975 388344656 /nfs/dbraw/zinc/34/46/56/388344656.db2.gz BKKVDFSKFWKJIG-MNOVXSKESA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000646367982 388346621 /nfs/dbraw/zinc/34/66/21/388346621.db2.gz JMGJSWBZXWZMHB-RYUDHWBXSA-N 2 0 239.363 0.442 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000646368011 388346740 /nfs/dbraw/zinc/34/67/40/388346740.db2.gz LVKPVJNAZMFFQW-NNYUYHANSA-N 2 0 237.347 0.182 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCC1 ZINC000646369555 388347118 /nfs/dbraw/zinc/34/71/18/388347118.db2.gz VNUMSAHGRBSDQZ-WDEREUQCSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCC1 ZINC000646369554 388347126 /nfs/dbraw/zinc/34/71/26/388347126.db2.gz VNUMSAHGRBSDQZ-QWRGUYRKSA-N 2 0 237.347 0.468 20 0 BCADRP CNC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000524156208 388347976 /nfs/dbraw/zinc/34/79/76/388347976.db2.gz UVDOGRFGXYYWTL-UHFFFAOYSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646385247 388348103 /nfs/dbraw/zinc/34/81/03/388348103.db2.gz ZUQGNOOTLZFFIB-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@H]1Cc2ccccc2N(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000516563028 388348145 /nfs/dbraw/zinc/34/81/45/388348145.db2.gz ONQDVFAOXDXHPA-RYUDHWBXSA-N 2 0 245.326 0.655 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000516569019 388349511 /nfs/dbraw/zinc/34/95/11/388349511.db2.gz MBSVJLGWPSXNGX-GFCCVEGCSA-N 2 0 233.315 0.209 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC1CCC([NH3+])CC1 ZINC000646664730 388406930 /nfs/dbraw/zinc/40/69/30/388406930.db2.gz VNBGLNCZOMRPIW-WHXUTIOJSA-N 2 0 227.352 0.761 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)[NH+]1CCCC1 ZINC000646408517 388352224 /nfs/dbraw/zinc/35/22/24/388352224.db2.gz VYGQAFPKEGBWRL-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)CC(C)(C)[NH3+])C1CC1 ZINC000646424184 388355710 /nfs/dbraw/zinc/35/57/10/388355710.db2.gz JEKWREPZAPHEIV-JTQLQIEISA-N 2 0 227.352 0.570 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000516580229 388356010 /nfs/dbraw/zinc/35/60/10/388356010.db2.gz DMWWAQJGRGYSOX-HBNTYKKESA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H](CNC(=O)CC1(C[NH3+])CC1)[NH+](C)C ZINC000646427219 388356877 /nfs/dbraw/zinc/35/68/77/388356877.db2.gz UEKHYPBNGQWOLF-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)[NH+](C)C ZINC000646427183 388357672 /nfs/dbraw/zinc/35/76/72/388357672.db2.gz RIRUIVRHMCKNTE-DTWKUNHWSA-N 2 0 213.325 0.051 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000193499995 388362109 /nfs/dbraw/zinc/36/21/09/388362109.db2.gz CWWZNPGDVMBVBK-DCAQKATOSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000300392128 388364617 /nfs/dbraw/zinc/36/46/17/388364617.db2.gz YOBJUTLXEMDLQB-SRVKXCTJSA-N 2 0 212.337 0.953 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000646484488 388365459 /nfs/dbraw/zinc/36/54/59/388365459.db2.gz QBHXXNOCJMNTEQ-NWDGAFQWSA-N 2 0 241.379 0.879 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCn2ccnn2)C1 ZINC000163753906 388367675 /nfs/dbraw/zinc/36/76/75/388367675.db2.gz RWBLPQSBCDCLIJ-MNOVXSKESA-N 2 0 223.324 0.528 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000165565245 388405348 /nfs/dbraw/zinc/40/53/48/388405348.db2.gz SSVSZBYMZKXFFF-RKDXNWHRSA-N 2 0 201.314 0.038 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000524652614 388370464 /nfs/dbraw/zinc/37/04/64/388370464.db2.gz VUCZCEOZUWWSCK-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH2+]CCC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000519399597 256647731 /nfs/dbraw/zinc/64/77/31/256647731.db2.gz WBMYGKUSGXNRJD-UHFFFAOYSA-N 2 0 219.288 0.838 20 0 BCADRP C[C@H](NC(=O)C[NH2+]CC1CC1)[C@H]1CCC[NH2+]C1 ZINC000572760106 388373448 /nfs/dbraw/zinc/37/34/48/388373448.db2.gz GMUCBBDJENFHJR-JQWIXIFHSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000519538944 256650782 /nfs/dbraw/zinc/65/07/82/256650782.db2.gz HMHGHCCCWRNXBJ-UMNHJUIQSA-N 2 0 227.352 0.603 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)CC(C)(C)[NH3+] ZINC000646523169 388374971 /nfs/dbraw/zinc/37/49/71/388374971.db2.gz GJPFRKSQYCDRPK-UHFFFAOYSA-N 2 0 227.352 0.666 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)CC1([NH3+])CCC1 ZINC000646523236 388375514 /nfs/dbraw/zinc/37/55/14/388375514.db2.gz SPGPMFGLOQPOJO-UHFFFAOYSA-N 2 0 239.363 0.811 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000646533955 388376997 /nfs/dbraw/zinc/37/69/97/388376997.db2.gz YUESNQKSOKMLKS-JTQLQIEISA-N 2 0 213.325 0.006 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000646533891 388377446 /nfs/dbraw/zinc/37/74/46/388377446.db2.gz OZYWQBKVGGAZEZ-CMPLNLGQSA-N 2 0 239.363 0.524 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000354292803 388378368 /nfs/dbraw/zinc/37/83/68/388378368.db2.gz XOFNPPQJVVMCLJ-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000572841437 388380700 /nfs/dbraw/zinc/38/07/00/388380700.db2.gz VNSJYYVUXIKVJS-SNVBAGLBSA-N 2 0 227.352 0.490 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000236838744 388383598 /nfs/dbraw/zinc/38/35/98/388383598.db2.gz MYCTUIVPMILQHC-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP [NH3+]CC1(NC(=O)[C@H]([NH3+])CC(F)F)CCCC1 ZINC000572881788 388384855 /nfs/dbraw/zinc/38/48/55/388384855.db2.gz RGBAISHBNYCQQB-SSDOTTSWSA-N 2 0 235.278 0.357 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000236872106 388384891 /nfs/dbraw/zinc/38/48/91/388384891.db2.gz XTIKQTXTWVDNAV-NSHDSACASA-N 2 0 241.379 0.772 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000236902820 388385806 /nfs/dbraw/zinc/38/58/06/388385806.db2.gz HMZYIDYEKRSSII-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP CCO[C@@H]1COC[C@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000572900251 388387197 /nfs/dbraw/zinc/38/71/97/388387197.db2.gz ZXXCNHRWYPJQGV-WRWGMCAJSA-N 2 0 228.336 0.650 20 0 BCADRP [NH3+]C[C@@H](C(=O)NC1CC[NH2+]CC1)c1ccccc1 ZINC000646575092 388387397 /nfs/dbraw/zinc/38/73/97/388387397.db2.gz UOJUVSCPGFJHDV-CYBMUJFWSA-N 2 0 247.342 0.597 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000646577994 388387471 /nfs/dbraw/zinc/38/74/71/388387471.db2.gz AXNBKPWTOJCYDA-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000237001066 388387505 /nfs/dbraw/zinc/38/75/05/388387505.db2.gz WLTYLKIQFYCTJX-OPRDCNLKSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000646578227 388387662 /nfs/dbraw/zinc/38/76/62/388387662.db2.gz RFJJTCLYAARGDV-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)CC[NH2+]C(C)C)C1 ZINC000646578298 388387742 /nfs/dbraw/zinc/38/77/42/388387742.db2.gz XZJLIFWYSVIDJG-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP CN(CC(=O)NCC(C)(C)[NH3+])Cc1ccccc1 ZINC000237054391 388388565 /nfs/dbraw/zinc/38/85/65/388388565.db2.gz BAHHELGVNZALBF-UHFFFAOYSA-N 2 0 249.358 0.972 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237139893 388390755 /nfs/dbraw/zinc/39/07/55/388390755.db2.gz KJJXOZXQTQCWFN-QWRGUYRKSA-N 2 0 239.363 0.348 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]([NH3+])C(C)(C)C ZINC000237150745 388391239 /nfs/dbraw/zinc/39/12/39/388391239.db2.gz LQLPHKHXMGKANV-IUCAKERBSA-N 2 0 215.341 0.332 20 0 BCADRP C[NH2+]CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000237263924 388391703 /nfs/dbraw/zinc/39/17/03/388391703.db2.gz MYZBHAQFDQBIBM-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP CCOCCC[N@H+](C)CCOCC[NH3+] ZINC000300935869 388391886 /nfs/dbraw/zinc/39/18/86/388391886.db2.gz CNIQFUCPQFNPDJ-UHFFFAOYSA-N 2 0 204.314 0.320 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000237315425 388392871 /nfs/dbraw/zinc/39/28/71/388392871.db2.gz KJJXOZXQTQCWFN-GHMZBOCLSA-N 2 0 239.363 0.348 20 0 BCADRP C[NH2+]Cc1cccc(NC(=O)COCC[NH3+])c1 ZINC000646626366 388397647 /nfs/dbraw/zinc/39/76/47/388397647.db2.gz NCKJULOBFYBQQY-UHFFFAOYSA-N 2 0 237.303 0.320 20 0 BCADRP [NH3+]C1(C(=O)NCC[C@H]2CCC[NH2+]C2)CCCC1 ZINC000237795612 388397676 /nfs/dbraw/zinc/39/76/76/388397676.db2.gz DAAQBQDXRGMITB-LLVKDONJSA-N 2 0 239.363 0.764 20 0 BCADRP C[C@H](NC(=O)C[NH3+])C(C)(C)C[NH+](C)C ZINC000237622480 388398071 /nfs/dbraw/zinc/39/80/71/388398071.db2.gz IXLYEIFPFOPSEH-QMMMGPOBSA-N 2 0 201.314 0.038 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H]1CCCC[NH2+]1 ZINC000646649548 388401715 /nfs/dbraw/zinc/40/17/15/388401715.db2.gz LCZAIQFRYMJTSF-VXGBXAGGSA-N 2 0 239.363 0.634 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000646649671 388401887 /nfs/dbraw/zinc/40/18/87/388401887.db2.gz QDKKWCMEPMFGLU-LOWVWBTDSA-N 2 0 237.347 0.244 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000646649669 388402122 /nfs/dbraw/zinc/40/21/22/388402122.db2.gz QDKKWCMEPMFGLU-GMXVVIOVSA-N 2 0 237.347 0.244 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C2CCOCC2)C1 ZINC000520609892 256676544 /nfs/dbraw/zinc/67/65/44/256676544.db2.gz NJGOAEKZIOPQOX-UPJWGTAASA-N 2 0 242.363 0.633 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@H]1CCOC1(C)C ZINC000336908261 388442444 /nfs/dbraw/zinc/44/24/44/388442444.db2.gz ZYGYCZGEQPFVRE-NSHDSACASA-N 2 0 230.352 0.722 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000194927869 388456427 /nfs/dbraw/zinc/45/64/27/388456427.db2.gz YMNBAMDWWRTPKX-UBJLHIIHSA-N 2 0 225.336 0.371 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000646669971 388410599 /nfs/dbraw/zinc/41/05/99/388410599.db2.gz KNZKPAFIDUGRMI-VWYCJHECSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000646673093 388411403 /nfs/dbraw/zinc/41/14/03/388411403.db2.gz BGCJVCUCYLWNKO-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000646671993 388411899 /nfs/dbraw/zinc/41/18/99/388411899.db2.gz PEUFUYWWOWNRAP-MDZLAQPJSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]C2CC2)CC[NH2+]1 ZINC000646687190 388416243 /nfs/dbraw/zinc/41/62/43/388416243.db2.gz ADXNLZKJKAMDNK-UWVGGRQHSA-N 2 0 225.336 0.243 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)NCC[NH2+]C1CC1 ZINC000646687243 388416342 /nfs/dbraw/zinc/41/63/42/388416342.db2.gz MPVPSWJQOIBOJC-SNVBAGLBSA-N 2 0 225.336 0.244 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)NCC[NH2+]C1CC1 ZINC000646687242 388416443 /nfs/dbraw/zinc/41/64/43/388416443.db2.gz MPVPSWJQOIBOJC-JTQLQIEISA-N 2 0 225.336 0.244 20 0 BCADRP O=C(NCC[NH2+]C1CC1)c1ccc2c(c1)C[NH2+]C2 ZINC000646687274 388416460 /nfs/dbraw/zinc/41/64/60/388416460.db2.gz RKRWMRJEYZZLMF-UHFFFAOYSA-N 2 0 245.326 0.772 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000646689298 388417571 /nfs/dbraw/zinc/41/75/71/388417571.db2.gz BEIGUHGNBKDKRJ-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)c1ccc(C[NH3+])o1 ZINC000646689380 388417629 /nfs/dbraw/zinc/41/76/29/388417629.db2.gz VCQZFESDJCLRTJ-UHFFFAOYSA-N 2 0 239.319 0.856 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000646699041 388419977 /nfs/dbraw/zinc/41/99/77/388419977.db2.gz WVYYVNOAHWQMPZ-VHSXEESVSA-N 2 0 225.336 0.100 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000573117792 388421182 /nfs/dbraw/zinc/42/11/82/388421182.db2.gz NWSNXTUIVDBHFW-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000646713443 388426222 /nfs/dbraw/zinc/42/62/22/388426222.db2.gz LQNZOOKCBNHBAS-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP O[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000573175653 388427327 /nfs/dbraw/zinc/42/73/27/388427327.db2.gz JJISCRBAAUIFHB-BETUJISGSA-N 2 0 224.348 0.974 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000573245995 388435114 /nfs/dbraw/zinc/43/51/14/388435114.db2.gz JLMBNHLMLRJQSI-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP Cc1cnn(C)c1C[NH2+]CCOCC[NH+](C)C ZINC000352738156 388538473 /nfs/dbraw/zinc/53/84/73/388538473.db2.gz SQYJTYZHSQEMQE-UHFFFAOYSA-N 2 0 240.351 0.396 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000517168142 388541164 /nfs/dbraw/zinc/54/11/64/388541164.db2.gz ONVDCYQYBMJPMH-MMWGEVLESA-N 2 0 225.336 0.323 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)NCCC[C@H]1CCC[NH2+]1 ZINC000517235248 388544511 /nfs/dbraw/zinc/54/45/11/388544511.db2.gz JWWQAKWKOSOTCI-VXGBXAGGSA-N 2 0 239.363 0.777 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH3+] ZINC000649273130 388483945 /nfs/dbraw/zinc/48/39/45/388483945.db2.gz MCULTPDQBQBVDI-PHIMTYICSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)[NH+](C)C ZINC000649272525 388484012 /nfs/dbraw/zinc/48/40/12/388484012.db2.gz DRPLCJWEYHXCEW-LPEHRKFASA-N 2 0 213.325 0.132 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648903918 388487904 /nfs/dbraw/zinc/48/79/04/388487904.db2.gz IFSROLAJVISHRX-HBNTYKKESA-N 2 0 227.352 0.393 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](OC)C1CC1 ZINC000356335034 388548838 /nfs/dbraw/zinc/54/88/38/388548838.db2.gz FPGJFWSRGLZHAH-RYUDHWBXSA-N 2 0 230.352 0.755 20 0 BCADRP CCOC1CC([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000342783998 388498876 /nfs/dbraw/zinc/49/88/76/388498876.db2.gz RBRUPEVTORZJAE-UHFFFAOYSA-N 2 0 242.363 0.600 20 0 BCADRP [NH3+]CCCCC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000646778604 388499238 /nfs/dbraw/zinc/49/92/38/388499238.db2.gz BDQJUERSTDLVIS-WDEREUQCSA-N 2 0 227.352 0.749 20 0 BCADRP C[C@H](CC(=O)N(C)CCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000646783273 388501354 /nfs/dbraw/zinc/50/13/54/388501354.db2.gz ZHCCHGZKKCXQNV-NEPJUHHUSA-N 2 0 241.379 0.819 20 0 BCADRP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000648931160 388504398 /nfs/dbraw/zinc/50/43/98/388504398.db2.gz PZGGCTJBXQSCDS-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C1CC[NH2+]CC1 ZINC000517374825 388549259 /nfs/dbraw/zinc/54/92/59/388549259.db2.gz AWOOKURPTSYCNS-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)C1([NH+](C)C)CC1 ZINC000614250941 388510718 /nfs/dbraw/zinc/51/07/18/388510718.db2.gz SKSSDKLSZYPYQK-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCn2ccnc21 ZINC000345358268 388514121 /nfs/dbraw/zinc/51/41/21/388514121.db2.gz WQYTYFDEWQEGLI-LLVKDONJSA-N 2 0 238.335 0.496 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000649280650 388514998 /nfs/dbraw/zinc/51/49/98/388514998.db2.gz BOPFWFLMJAAATI-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000516768529 388516155 /nfs/dbraw/zinc/51/61/55/388516155.db2.gz XICMJIJEDWBVPY-SRVKXCTJSA-N 2 0 239.363 0.633 20 0 BCADRP C/C=C/C=C/C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000087613490 388521162 /nfs/dbraw/zinc/52/11/62/388521162.db2.gz DGJPTZDJALYJEB-KXGOJYIESA-N 2 0 223.320 0.220 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000516927804 388525292 /nfs/dbraw/zinc/52/52/92/388525292.db2.gz DSAMMGPGXIDXJG-LLVKDONJSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C[C@@H](C)n1ccnc1 ZINC000516977486 388529685 /nfs/dbraw/zinc/52/96/85/388529685.db2.gz FENRCYHZJLWCAT-NXEZZACHSA-N 2 0 224.308 0.688 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000517029631 388533271 /nfs/dbraw/zinc/53/32/71/388533271.db2.gz YLLSSFZXFPBQCF-VWYCJHECSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)[NH+](C)C ZINC000649306074 388590789 /nfs/dbraw/zinc/59/07/89/388590789.db2.gz YTKKHKVKNUXPHT-BDAKNGLRSA-N 2 0 249.305 0.298 20 0 BCADRP C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000649314629 388602394 /nfs/dbraw/zinc/60/23/94/388602394.db2.gz HGRQIUIZNKYESH-JLLWLGSASA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000521590250 388617914 /nfs/dbraw/zinc/61/79/14/388617914.db2.gz RWUDWVGUNCTQHR-SCVCMEIPSA-N 2 0 225.336 0.243 20 0 BCADRP CC(C)(CCO)[NH2+]CC1CC[NH2+]CC1 ZINC000220389273 388604729 /nfs/dbraw/zinc/60/47/29/388604729.db2.gz RIAGYXOOISGUME-UHFFFAOYSA-N 2 0 200.326 0.737 20 0 BCADRP CC[NH2+]CCNC(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC000517540383 388552129 /nfs/dbraw/zinc/55/21/29/388552129.db2.gz NGSZYPNUCOSLDU-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000646823378 388558236 /nfs/dbraw/zinc/55/82/36/388558236.db2.gz ZOJVHKVWTZXQHU-WDEREUQCSA-N 2 0 241.379 0.816 20 0 BCADRP CO[C@@H](C[NH3+])CC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000646823340 388558441 /nfs/dbraw/zinc/55/84/41/388558441.db2.gz KJCGADOHCWQHFA-MNOVXSKESA-N 2 0 245.367 0.182 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CC[NH2+]C1CC1 ZINC000521068086 388560463 /nfs/dbraw/zinc/56/04/63/388560463.db2.gz KYQONBAJXHQEIR-ONGXEEELSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000649295479 388573357 /nfs/dbraw/zinc/57/33/57/388573357.db2.gz OIQIAXOFRDNXDD-PWSUYJOCSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000649297713 388575344 /nfs/dbraw/zinc/57/53/44/388575344.db2.gz RZNWDXGPLARDIS-WHOHXGKFSA-N 2 0 237.347 0.467 20 0 BCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649298009 388576997 /nfs/dbraw/zinc/57/69/97/388576997.db2.gz JORVXXBUMSIFHD-YGNMPJRFSA-N 2 0 249.358 0.337 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649301609 388584288 /nfs/dbraw/zinc/58/42/88/388584288.db2.gz GLJLIMIQVDAGPV-MLGHIDQZSA-N 2 0 249.358 0.195 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C1CC1 ZINC000649302819 388585531 /nfs/dbraw/zinc/58/55/31/388585531.db2.gz SSLHTKPYMYDDGS-WISYIIOYSA-N 2 0 237.347 0.193 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)CCC(C)(C)[NH3+])C1CC1 ZINC000649302671 388585792 /nfs/dbraw/zinc/58/57/92/388585792.db2.gz GFIVGGAFLVHXAN-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+](C)CCCCC(=O)N1CCC[N@H+](C)CC1 ZINC000552118800 388670957 /nfs/dbraw/zinc/67/09/57/388670957.db2.gz XGQDQGACRIOEIJ-UHFFFAOYSA-N 2 0 241.379 0.882 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CCCNC(C)=O)[C@@H](C)C1 ZINC000248045668 388673033 /nfs/dbraw/zinc/67/30/33/388673033.db2.gz UYHGTOUDVJERSL-AAEUAGOBSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000521998460 388673714 /nfs/dbraw/zinc/67/37/14/388673714.db2.gz LCLPJHNWUPHCFO-SRVKXCTJSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)C1CC[NH2+]CC1 ZINC000522000128 388674179 /nfs/dbraw/zinc/67/41/79/388674179.db2.gz IVXHPEMFYXVRIT-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000621702384 388677455 /nfs/dbraw/zinc/67/74/55/388677455.db2.gz UBDKOJACUMXIHD-LSJOCFKGSA-N 2 0 225.336 0.371 20 0 BCADRP C[NH+](C)C[C@@](C)(O)C[NH2+]C1CCSCC1 ZINC000125908009 388681101 /nfs/dbraw/zinc/68/11/01/388681101.db2.gz BABNIHYNXSQIBL-NSHDSACASA-N 2 0 232.393 0.784 20 0 BCADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCN(C)C1=O ZINC000530218368 388626386 /nfs/dbraw/zinc/62/63/86/388626386.db2.gz MJYJQAGDJBWNDK-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530216145 388630783 /nfs/dbraw/zinc/63/07/83/388630783.db2.gz MWLBXMSQZHACCF-QWRGUYRKSA-N 3 0 211.353 0.988 20 0 BCADRP [NH3+][C@@H]1C[C@H](NC[C@H]2COCC[NH2+]2)c2ccccc21 ZINC000530220052 388631978 /nfs/dbraw/zinc/63/19/78/388631978.db2.gz BIELMBQBTMLWTI-GDLCADMTSA-N 2 0 247.342 0.709 20 0 BCADRP COCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241898 388638254 /nfs/dbraw/zinc/63/82/54/388638254.db2.gz RONYSWZYJSHVLK-ZDUSSCGKSA-N 2 0 242.363 0.723 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH3+])[C@@H](C)C1 ZINC000246490066 388639271 /nfs/dbraw/zinc/63/92/71/388639271.db2.gz PFISQAIHJLOXSU-GARJFASQSA-N 2 0 227.352 0.522 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)CC[NH2+]C1CC1 ZINC000521897994 388639751 /nfs/dbraw/zinc/63/97/51/388639751.db2.gz NMPFHJWFJMLVHG-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP Cn1cncc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252881483 388659893 /nfs/dbraw/zinc/65/98/93/388659893.db2.gz YTGAIPBPUWUIBE-DRZSPHRISA-N 2 0 234.347 0.979 20 0 BCADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000247327428 388662330 /nfs/dbraw/zinc/66/23/30/388662330.db2.gz UJUAYPFYMUZSNL-SDDRHHMPSA-N 2 0 239.363 0.762 20 0 BCADRP CN1CCN(C(=O)[C@H]2CC2(C)C)[C@@H](C[NH3+])C1 ZINC000124471387 388663120 /nfs/dbraw/zinc/66/31/20/388663120.db2.gz ZGDNYBFYYFNDIJ-VHSXEESVSA-N 2 0 225.336 0.134 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000249878014 388734068 /nfs/dbraw/zinc/73/40/68/388734068.db2.gz HHSHRVJCKDJRMF-GMTAPVOTSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251202428 388745825 /nfs/dbraw/zinc/74/58/25/388745825.db2.gz KZBUNNCWHGWCDJ-UTUOFQBUSA-N 2 0 212.337 0.974 20 0 BCADRP C[NH+](C)CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000553190105 388751878 /nfs/dbraw/zinc/75/18/78/388751878.db2.gz APTAKQBIAFPLCB-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP CCCN(C(=O)[C@H](C)[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000648998792 388686835 /nfs/dbraw/zinc/68/68/35/388686835.db2.gz RPJRSNXCAMUFIS-NWDGAFQWSA-N 2 0 241.379 0.879 20 0 BCADRP CCCN(C(=O)[C@H](C)[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000648998793 388687667 /nfs/dbraw/zinc/68/76/67/388687667.db2.gz RPJRSNXCAMUFIS-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP CC[C@H](C(=O)N1CCN(C(C)C)CC1)[NH+](C)C ZINC000126284450 388693546 /nfs/dbraw/zinc/69/35/46/388693546.db2.gz IYQAOFACFMDNJJ-GFCCVEGCSA-N 2 0 241.379 0.879 20 0 BCADRP COCC[N@H+](C)CCC[NH2+]CC1=CCCOC1 ZINC000126457871 388696166 /nfs/dbraw/zinc/69/61/66/388696166.db2.gz KMIKPSQOUVNCFX-UHFFFAOYSA-N 2 0 242.363 0.891 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000522170439 388712906 /nfs/dbraw/zinc/71/29/06/388712906.db2.gz VUTVTDHQTTUZDB-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C1([NH3+])CC1 ZINC000226396237 388718257 /nfs/dbraw/zinc/71/82/57/388718257.db2.gz GMLZXMGMJFTHHM-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000249441366 388722295 /nfs/dbraw/zinc/72/22/95/388722295.db2.gz KCVJEVZXPYOACM-GHMZBOCLSA-N 2 0 232.393 0.594 20 0 BCADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CSC)C1 ZINC000249481429 388723138 /nfs/dbraw/zinc/72/31/38/388723138.db2.gz VSALULNGIVFOFH-NWDGAFQWSA-N 2 0 246.420 0.984 20 0 BCADRP C[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)C ZINC000564211030 388726342 /nfs/dbraw/zinc/72/63/42/388726342.db2.gz MTWFKYWOPJQAOY-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP CC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000253028733 388797885 /nfs/dbraw/zinc/79/78/85/388797885.db2.gz PMLPREZNXTZJHF-DCAQKATOSA-N 2 0 200.326 0.864 20 0 BCADRP C[NH+](C)CCOCC[NH2+]Cc1cc[nH]n1 ZINC000230005166 388809765 /nfs/dbraw/zinc/80/97/65/388809765.db2.gz XIRPIQBYBFLKNV-UHFFFAOYSA-N 2 0 212.297 0.078 20 0 BCADRP C[NH+](C)CCOCC[NH2+]Cc1ncc[nH]1 ZINC000230004906 388809878 /nfs/dbraw/zinc/80/98/78/388809878.db2.gz BEQNLKCNJOCASO-UHFFFAOYSA-N 2 0 212.297 0.078 20 0 BCADRP CC(C)NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000228929024 388777725 /nfs/dbraw/zinc/77/77/25/388777725.db2.gz NYOYUROTDZAOJG-AXFHLTTASA-N 2 0 227.352 0.759 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000648743820 388781394 /nfs/dbraw/zinc/78/13/94/388781394.db2.gz VYCXPRXRFBCPND-GRYCIOLGSA-N 2 0 239.363 0.395 20 0 BCADRP CC(C)([NH3+])CC(=O)NC1(C)CC[NH2+]CC1 ZINC000193382298 388863960 /nfs/dbraw/zinc/86/39/60/388863960.db2.gz UEILWQHZWXPXFG-UHFFFAOYSA-N 2 0 213.325 0.372 20 0 BCADRP CN(CC[NH+](C)C)C(=O)CCCC[NH+](C)C ZINC000555382773 388848792 /nfs/dbraw/zinc/84/87/92/388848792.db2.gz FMPORMNQJJCVGG-UHFFFAOYSA-N 2 0 229.368 0.738 20 0 BCADRP C[C@@H]1CN(CCOC[C@H]2CCCO2)C[C@H]1[NH3+] ZINC000564644725 388881801 /nfs/dbraw/zinc/88/18/01/388881801.db2.gz RYMQWGJMHMKICQ-IJLUTSLNSA-N 2 0 228.336 0.461 20 0 BCADRP [NH3+]CC1(CC(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000564835725 388892669 /nfs/dbraw/zinc/89/26/69/388892669.db2.gz YPUFGWYYBAQVBD-UHFFFAOYSA-N 2 0 223.320 0.151 20 0 BCADRP CN(C[C@@H](O)C[NH2+]C[C@@H]1CC12CC2)C1CC1 ZINC000564855796 388894310 /nfs/dbraw/zinc/89/43/10/388894310.db2.gz FASMXVULPJBQAX-JQWIXIFHSA-N 2 0 224.348 0.831 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000564938025 388898783 /nfs/dbraw/zinc/89/87/83/388898783.db2.gz RPEDVJYVUCKBRH-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP O=C([C@H]1C[C@]12CC[NH2+]C2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000564933010 388899225 /nfs/dbraw/zinc/89/92/25/388899225.db2.gz HYDRQBJIZXJNDT-CZXHOFHRSA-N 2 0 249.358 0.339 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000564939041 388899667 /nfs/dbraw/zinc/89/96/67/388899667.db2.gz XZEILJMQNFESHX-HBNTYKKESA-N 2 0 244.383 0.929 20 0 BCADRP C[C@@H](C(=O)NCC[C@H]1CCC[NH2+]1)C1C[NH2+]C1 ZINC000564948492 388899828 /nfs/dbraw/zinc/89/98/28/388899828.db2.gz LVCAGFLCWRCUPJ-MWLCHTKSSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000564955451 388901357 /nfs/dbraw/zinc/90/13/57/388901357.db2.gz SGFJUTKALMZJGL-WDEREUQCSA-N 2 0 227.352 0.762 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)ccn1 ZINC000564957099 388901709 /nfs/dbraw/zinc/90/17/09/388901709.db2.gz ZMFDFKDEEWOQMT-KOLCDFICSA-N 2 0 248.330 0.398 20 0 BCADRP CCCNC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129883177 388875371 /nfs/dbraw/zinc/87/53/71/388875371.db2.gz MKWXLKUBUAGUDO-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCO[C@H](C)C1 ZINC000564459212 388875856 /nfs/dbraw/zinc/87/58/56/388875856.db2.gz QIGRNJACCCSLGY-GHMZBOCLSA-N 2 0 216.325 0.068 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CC[C@H](OCC(C)C)C1 ZINC000564576476 388878820 /nfs/dbraw/zinc/87/88/20/388878820.db2.gz MNMRYNJOWRIWHC-STQMWFEESA-N 2 0 244.379 0.704 20 0 BCADRP [NH3+]CCOCCN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000564989454 388905566 /nfs/dbraw/zinc/90/55/66/388905566.db2.gz LMRYWDQQRIYWDD-QWHCGFSZSA-N 2 0 241.379 0.568 20 0 BCADRP C[NH2+][C@H]1CCCN(CCN2CCO[C@@H](C)C2)C1 ZINC000564988104 388905575 /nfs/dbraw/zinc/90/55/75/388905575.db2.gz IAANUPWGRJYPJD-STQMWFEESA-N 2 0 241.379 0.391 20 0 BCADRP [NH3+]CCOCCN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000564989453 388905731 /nfs/dbraw/zinc/90/57/31/388905731.db2.gz LMRYWDQQRIYWDD-OLZOCXBDSA-N 2 0 241.379 0.568 20 0 BCADRP [NH3+]CC(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000564992658 388906412 /nfs/dbraw/zinc/90/64/12/388906412.db2.gz HYTGTZVNDRYGHE-UHFFFAOYSA-N 2 0 240.332 0.507 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000564992459 388906566 /nfs/dbraw/zinc/90/65/66/388906566.db2.gz LYXCZQOKCDDFIN-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000564994146 388906842 /nfs/dbraw/zinc/90/68/42/388906842.db2.gz NNLHJLDZCQHOGT-GMTAPVOTSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC(C)(C)CCC[NH3+] ZINC000564996100 388907069 /nfs/dbraw/zinc/90/70/69/388907069.db2.gz YKNMFPQCORAXFS-VIFPVBQESA-N 2 0 227.352 0.761 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000565003527 388907255 /nfs/dbraw/zinc/90/72/55/388907255.db2.gz KSWWKHPHCJCPRY-JBDRJPRFSA-N 2 0 201.314 0.212 20 0 BCADRP C[C@@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])[C@H](C)[NH3+] ZINC000565003542 388907482 /nfs/dbraw/zinc/90/74/82/388907482.db2.gz KSWWKHPHCJCPRY-MAUMQABQSA-N 2 0 201.314 0.212 20 0 BCADRP CC[N@H+](C[C@H]1CCCO1)C[C@@](C)(O)C[NH2+]C ZINC000565095732 388912961 /nfs/dbraw/zinc/91/29/61/388912961.db2.gz PDPSTWRVBBSWAS-NEPJUHHUSA-N 2 0 230.352 0.458 20 0 BCADRP CC(C)CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565234689 388929233 /nfs/dbraw/zinc/92/92/33/388929233.db2.gz XEWDKORZHBFPGX-NEPJUHHUSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C(=O)NCCF ZINC000565227023 388929873 /nfs/dbraw/zinc/92/98/73/388929873.db2.gz UEBDJXKIXUSNJT-GUBZILKMSA-N 2 0 231.315 0.320 20 0 BCADRP CC(C)CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565234691 388930189 /nfs/dbraw/zinc/93/01/89/388930189.db2.gz XEWDKORZHBFPGX-RYUDHWBXSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000565363665 388939105 /nfs/dbraw/zinc/93/91/05/388939105.db2.gz NYPWGKXIVLLITG-QWHCGFSZSA-N 2 0 225.380 0.917 20 0 BCADRP O=C([C@H]1CC12CC[NH2+]CC2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000565420098 388942699 /nfs/dbraw/zinc/94/26/99/388942699.db2.gz BPVXGLOHLCEOJC-UTUOFQBUSA-N 2 0 249.358 0.196 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000565419852 388943617 /nfs/dbraw/zinc/94/36/17/388943617.db2.gz HNSBCXWUFGYGPY-YPMHNXCESA-N 2 0 241.379 0.962 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000565419849 388943819 /nfs/dbraw/zinc/94/38/19/388943819.db2.gz HNSBCXWUFGYGPY-AAEUAGOBSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000565945728 388980314 /nfs/dbraw/zinc/98/03/14/388980314.db2.gz UQELYCGFTJISFT-RYUDHWBXSA-N 2 0 225.336 0.183 20 0 BCADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH3+] ZINC000566008497 388983680 /nfs/dbraw/zinc/98/36/80/388983680.db2.gz JXYMXKLQINMTPX-NSHDSACASA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCN1CCO[C@H](C)C1 ZINC000566069136 388986111 /nfs/dbraw/zinc/98/61/11/388986111.db2.gz WRIUHTPNRSHROP-YNEHKIRRSA-N 2 0 241.379 0.376 20 0 BCADRP Cn1nccc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271891706 389025218 /nfs/dbraw/zinc/02/52/18/389025218.db2.gz OPUNFFKQOBBKIT-UHFFFAOYSA-N 2 0 220.320 0.772 20 0 BCADRP C[C@@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)[C@H](C)[NH3+] ZINC000493897160 533258188 /nfs/dbraw/zinc/25/81/88/533258188.db2.gz LZGLAXVLZSQYIF-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)[C@H]1CC[NH2+]C1 ZINC000335391809 533364698 /nfs/dbraw/zinc/36/46/98/533364698.db2.gz JCURTFLEXLQYAX-CHWSQXEVSA-N 3 0 223.364 0.671 20 0 BCADRP C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CC[NH2+]C1 ZINC000335391813 533365473 /nfs/dbraw/zinc/36/54/73/533365473.db2.gz JCURTFLEXLQYAX-QWHCGFSZSA-N 3 0 223.364 0.671 20 0 BCADRP C([C@H]1CCOC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261535703 533376909 /nfs/dbraw/zinc/37/69/09/533376909.db2.gz PCHQMAAFDZHCGV-IJLUTSLNSA-N 2 0 210.321 0.564 20 0 BCADRP C([C@H]1CCOC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261535705 533377159 /nfs/dbraw/zinc/37/71/59/533377159.db2.gz PCHQMAAFDZHCGV-WOPDTQHZSA-N 2 0 210.321 0.564 20 0 BCADRP C[C@@H](NCC[N@H+]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000400367316 533393868 /nfs/dbraw/zinc/39/38/68/533393868.db2.gz SEFZBOJMUSTQNM-OLZOCXBDSA-N 2 0 223.364 0.978 20 0 BCADRP [NH3+]CCC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000361763977 132280220 /nfs/dbraw/zinc/28/02/20/132280220.db2.gz ROSGKUNQUVZQDT-UHFFFAOYSA-N 2 0 233.315 0.773 20 0 BCADRP [NH3+]CCOCC[NH+]1CCN(c2ccccc2)CC1 ZINC000032104828 132390650 /nfs/dbraw/zinc/39/06/50/132390650.db2.gz BWHVZUMMSSRJGE-UHFFFAOYSA-N 2 0 249.358 0.784 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC000335443426 133847236 /nfs/dbraw/zinc/84/72/36/133847236.db2.gz IADWFIQJJNOYBG-SECBINFHSA-N 2 0 232.287 0.754 20 0 BCADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000335405832 133857490 /nfs/dbraw/zinc/85/74/90/133857490.db2.gz HTQCFBBHVKVZRL-SKDRFNHKSA-N 2 0 233.315 0.880 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000335481298 133881192 /nfs/dbraw/zinc/88/11/92/133881192.db2.gz VHOXLUUJEWKLLH-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@]1(C(=O)NC[C@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000335539913 133886790 /nfs/dbraw/zinc/88/67/90/133886790.db2.gz ZJOYGBQATZGYRJ-ZYHUDNBSSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000349959300 133927635 /nfs/dbraw/zinc/92/76/35/133927635.db2.gz INCAJVVWKAUPPL-ZWNOBZJWSA-N 2 0 247.342 0.554 20 0 BCADRP CC[C@@H](C(=O)N1CCC[N@H+](C)CC1)[NH+](C)C ZINC000335931237 134010711 /nfs/dbraw/zinc/01/07/11/134010711.db2.gz GDVTTZBPRLNKNE-NSHDSACASA-N 2 0 227.352 0.491 20 0 BCADRP C[C@@]1(CNC(=O)[C@@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000335990750 134040418 /nfs/dbraw/zinc/04/04/18/134040418.db2.gz STNCTBMVEXVBNG-CMPLNLGQSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000336004218 134048543 /nfs/dbraw/zinc/04/85/43/134048543.db2.gz LMRQBNVWFIYNRJ-PWSUYJOCSA-N 2 0 239.363 0.429 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000336031843 134058644 /nfs/dbraw/zinc/05/86/44/134058644.db2.gz YFNVDXFOZBYBHK-AAEUAGOBSA-N 2 0 237.347 0.341 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@@](C)(C[NH3+])C2)CCC[NH2+]1 ZINC000336125207 134092700 /nfs/dbraw/zinc/09/27/00/134092700.db2.gz MCXYUVJVCXZPGH-QWHCGFSZSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000336135521 134095871 /nfs/dbraw/zinc/09/58/71/134095871.db2.gz IOFKBFZFHCWVIJ-GHMZBOCLSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@]1(CNC(=O)[C@H]2CCCC[NH2+]2)CCC[NH2+]C1 ZINC000336176745 134116964 /nfs/dbraw/zinc/11/69/64/134116964.db2.gz PJXFOOVFIBEHFS-DGCLKSJQSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@]1(CNC(=O)[C@H]2CCCC[NH2+]2)CCC[NH2+]C1 ZINC000336176750 134116979 /nfs/dbraw/zinc/11/69/79/134116979.db2.gz PJXFOOVFIBEHFS-YPMHNXCESA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000169240430 134249844 /nfs/dbraw/zinc/24/98/44/134249844.db2.gz YJXOSNHSJGBXNI-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP C[NH+](C)CCC[NH2+]CC[C@H]1CCOC1 ZINC000220505280 134309397 /nfs/dbraw/zinc/30/93/97/134309397.db2.gz KZKPJRYIHPJKNU-NSHDSACASA-N 2 0 200.326 0.954 20 0 BCADRP CCCN(C(=O)[C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000178408158 134309937 /nfs/dbraw/zinc/30/99/37/134309937.db2.gz OJASABYMVQRIAE-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CN(C(=O)[C@H]([NH3+])c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000178409532 134309964 /nfs/dbraw/zinc/30/99/64/134309964.db2.gz OHWVUWMCNSOOGW-VXGBXAGGSA-N 2 0 233.315 0.507 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000178407268 134310024 /nfs/dbraw/zinc/31/00/24/134310024.db2.gz JTQPHTHSFHDBIA-JTQLQIEISA-N 2 0 239.363 0.844 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000178407052 134310207 /nfs/dbraw/zinc/31/02/07/134310207.db2.gz ZLWKPHYMMPWRAF-KOLCDFICSA-N 2 0 225.336 0.324 20 0 BCADRP O=C([C@H]1CC[NH2+]C1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747931 134310763 /nfs/dbraw/zinc/31/07/63/134310763.db2.gz RNXKOIUCMDXFSS-NSHDSACASA-N 2 0 237.347 0.293 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178789953 134311456 /nfs/dbraw/zinc/31/14/56/134311456.db2.gz FBGLRFFCJWDAEQ-ZJUUUORDSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178789944 134311482 /nfs/dbraw/zinc/31/14/82/134311482.db2.gz FBGLRFFCJWDAEQ-UWVGGRQHSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178601036 134311951 /nfs/dbraw/zinc/31/19/51/134311951.db2.gz LMSPWGZZNDFUBQ-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CCOCCOC)[C@H](C)C1 ZINC000178632084 134312650 /nfs/dbraw/zinc/31/26/50/134312650.db2.gz QZJFFPBONKKYDV-OLZOCXBDSA-N 2 0 244.379 0.969 20 0 BCADRP C[NH2+]CCCC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000178702960 134313204 /nfs/dbraw/zinc/31/32/04/134313204.db2.gz JEJYQKWGDCXMCU-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000178809368 134314875 /nfs/dbraw/zinc/31/48/75/134314875.db2.gz QTVGYDGTBUBDEG-WDEREUQCSA-N 2 0 225.336 0.278 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000178835975 134315431 /nfs/dbraw/zinc/31/54/31/134315431.db2.gz PNZKJLUVCNWHDG-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000178817796 134315646 /nfs/dbraw/zinc/31/56/46/134315646.db2.gz OPVHUGYVEFBHED-BDAKNGLRSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000178860680 134315692 /nfs/dbraw/zinc/31/56/92/134315692.db2.gz ZSDFGVCXHSNLPP-ZYHUDNBSSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000178818582 134315721 /nfs/dbraw/zinc/31/57/21/134315721.db2.gz VTEVNAGCTAXDQD-QWRGUYRKSA-N 2 0 227.352 0.666 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000178815746 134315914 /nfs/dbraw/zinc/31/59/14/134315914.db2.gz ZMLYDHBTEYQVGX-VWYCJHECSA-N 2 0 227.352 0.665 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)CCC[NH3+])C[N@@H+]1C1CC1 ZINC000178867514 134316236 /nfs/dbraw/zinc/31/62/36/134316236.db2.gz KDNRQSQPUVZHGU-VHSXEESVSA-N 2 0 225.336 0.467 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000179149527 134317566 /nfs/dbraw/zinc/31/75/66/134317566.db2.gz XTOIFXLMINLCHZ-AOOOYVTPSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000222660115 134333737 /nfs/dbraw/zinc/33/37/37/134333737.db2.gz KJBSCQSYMALURO-GARJFASQSA-N 2 0 200.326 0.545 20 0 BCADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000222640868 134333745 /nfs/dbraw/zinc/33/37/45/134333745.db2.gz FVSASCBPFSWPOB-YNEHKIRRSA-N 2 0 242.363 0.458 20 0 BCADRP COC[C@H](O)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000224249684 134345534 /nfs/dbraw/zinc/34/55/34/134345534.db2.gz NXMAWUIMMWOHSA-RWMBFGLXSA-N 2 0 244.379 0.894 20 0 BCADRP C[C@H](CCO)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000224331127 134345789 /nfs/dbraw/zinc/34/57/89/134345789.db2.gz FJSLDWJPTWSGJU-WOPDTQHZSA-N 2 0 214.353 0.935 20 0 BCADRP CC1(CNC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000183327179 134350689 /nfs/dbraw/zinc/35/06/89/134350689.db2.gz CSSGLXIJMASTMV-SNVBAGLBSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000226327536 134360244 /nfs/dbraw/zinc/36/02/44/134360244.db2.gz WDYGVAJVIUHNJG-KXUCPTDWSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000226327541 134360395 /nfs/dbraw/zinc/36/03/95/134360395.db2.gz WDYGVAJVIUHNJG-UTLUCORTSA-N 2 0 213.325 0.323 20 0 BCADRP O[C@H](C[NH2+]C[C@H]1CCSC1)C[NH+]1CCCC1 ZINC000226375323 134364718 /nfs/dbraw/zinc/36/47/18/134364718.db2.gz FXZSEKARXFJRSA-VXGBXAGGSA-N 2 0 244.404 0.786 20 0 BCADRP C[NH2+]CCCC(=O)NCC[NH+]1CCSCC1 ZINC000226389352 134365410 /nfs/dbraw/zinc/36/54/10/134365410.db2.gz OGBOWZCZUVLFOR-UHFFFAOYSA-N 2 0 245.392 0.151 20 0 BCADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000227374677 134379533 /nfs/dbraw/zinc/37/95/33/134379533.db2.gz RJISTIIZCYCJKA-MNOVXSKESA-N 2 0 245.367 0.053 20 0 BCADRP CCOC(=O)C[C@H](C)[N@H+](C)CCC[NH3+] ZINC000227747490 134392017 /nfs/dbraw/zinc/39/20/17/134392017.db2.gz DJMFCLUBVBEXPZ-VIFPVBQESA-N 2 0 202.298 0.609 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188186015 134494210 /nfs/dbraw/zinc/49/42/10/134494210.db2.gz WGVUUHQKFQPAIC-VPOLOUISSA-N 2 0 243.326 0.272 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H](C)C[NH2+]C ZINC000230711954 134533879 /nfs/dbraw/zinc/53/38/79/134533879.db2.gz LTPBIAKBJGPNAO-NSHDSACASA-N 2 0 229.368 0.642 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000230711887 134533900 /nfs/dbraw/zinc/53/39/00/134533900.db2.gz TTYAZBMBFSDEBB-ZDUSSCGKSA-N 2 0 241.379 0.786 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C[NH2+]CC1CC1 ZINC000230711154 134533942 /nfs/dbraw/zinc/53/39/42/134533942.db2.gz RMHYYZPRZKBNMJ-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC[NH+]1CCSCC1 ZINC000235163853 134587717 /nfs/dbraw/zinc/58/77/17/134587717.db2.gz CCJNFLOAGLTXLZ-SNVBAGLBSA-N 2 0 245.392 0.279 20 0 BCADRP C[C@@H]1OCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000235339069 134592147 /nfs/dbraw/zinc/59/21/47/134592147.db2.gz HNPSSGQPSFLWLY-WDEREUQCSA-N 2 0 216.325 0.332 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559774 134634346 /nfs/dbraw/zinc/63/43/46/134634346.db2.gz WOMORZQQZXYRNU-WDEREUQCSA-N 2 0 229.368 0.960 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000131926979 134637361 /nfs/dbraw/zinc/63/73/61/134637361.db2.gz MBWJBAPSNKRKRH-HBNTYKKESA-N 2 0 225.336 0.230 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000237768814 134845839 /nfs/dbraw/zinc/84/58/39/134845839.db2.gz LLEFQFFGYPFWEU-PWSUYJOCSA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000238032125 134848584 /nfs/dbraw/zinc/84/85/84/134848584.db2.gz NXOCPYMZDNRGKY-NEPJUHHUSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@H]1NCCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335644690 134851813 /nfs/dbraw/zinc/85/18/13/134851813.db2.gz XQBUICQYOXCWRF-WNYYMSAVSA-N 2 0 211.353 0.986 20 0 BCADRP CC1(CNC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000183327165 134922429 /nfs/dbraw/zinc/92/24/29/134922429.db2.gz CSSGLXIJMASTMV-JTQLQIEISA-N 2 0 225.336 0.244 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000163602841 135005592 /nfs/dbraw/zinc/00/55/92/135005592.db2.gz OHVBWAQFVGFWDU-NXEZZACHSA-N 2 0 247.408 0.523 20 0 BCADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH2+]C3)C[C@@H]12 ZINC000248602727 135016342 /nfs/dbraw/zinc/01/63/42/135016342.db2.gz JHZBOLDMPYWUIH-IRCOFANPSA-N 2 0 237.347 0.182 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C[NH2+]C ZINC000230711343 135022189 /nfs/dbraw/zinc/02/21/89/135022189.db2.gz LZCPHDNRCCMMOL-UHFFFAOYSA-N 2 0 201.314 0.006 20 0 BCADRP C[NH2+]CCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000249852255 135046166 /nfs/dbraw/zinc/04/61/66/135046166.db2.gz MDFOQUWWQSQKPU-LBPRGKRZSA-N 2 0 211.353 0.766 20 0 BCADRP COC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250458320 135055357 /nfs/dbraw/zinc/05/53/57/135055357.db2.gz JVLXHWZWFXBPOR-GRYCIOLGSA-N 2 0 228.336 0.210 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)CCOC)C1 ZINC000251258692 135067552 /nfs/dbraw/zinc/06/75/52/135067552.db2.gz VRLADSUTZSUZFZ-MNOVXSKESA-N 2 0 200.326 0.953 20 0 BCADRP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000251333853 135069166 /nfs/dbraw/zinc/06/91/66/135069166.db2.gz PJQSMFZWGLWATL-FRRDWIJNSA-N 2 0 224.348 0.974 20 0 BCADRP C[C@H]1C[N@H+](CCC(=O)N(C)C)CC[C@H]1[NH3+] ZINC000251646582 135073561 /nfs/dbraw/zinc/07/35/61/135073561.db2.gz GEKSOVGSMWNEFB-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000251767005 135076516 /nfs/dbraw/zinc/07/65/16/135076516.db2.gz IBSKSKJEBVLHKB-HBNTYKKESA-N 2 0 229.368 0.816 20 0 BCADRP CC[C@H]1CO[C@@H](C)C[N@@H+]1CCOCC[NH3+] ZINC000086435480 135084041 /nfs/dbraw/zinc/08/40/41/135084041.db2.gz SQCBPYFKOICROT-QWRGUYRKSA-N 2 0 216.325 0.461 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000086435576 135084136 /nfs/dbraw/zinc/08/41/36/135084136.db2.gz AURJQIBNXXKPOF-WDEREUQCSA-N 2 0 214.309 0.215 20 0 BCADRP CC[C@H]1COCC[N@@H+]1CCOCC[NH3+] ZINC000086435418 135084210 /nfs/dbraw/zinc/08/42/10/135084210.db2.gz RBXKQNOXGNMOHW-JTQLQIEISA-N 2 0 202.298 0.073 20 0 BCADRP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCOCC[NH3+] ZINC000086435397 135084383 /nfs/dbraw/zinc/08/43/83/135084383.db2.gz XBWWJGXWBZTPHJ-ZJUUUORDSA-N 2 0 202.298 0.071 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)C[NH3+] ZINC000252440689 135089637 /nfs/dbraw/zinc/08/96/37/135089637.db2.gz KWHBKUNLCDOQQJ-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000252660868 135094389 /nfs/dbraw/zinc/09/43/89/135094389.db2.gz BQUURSZIJJYVRS-IRCOFANPSA-N 2 0 214.353 0.933 20 0 BCADRP CNC(=O)CC[N@H+](C)CC1CC[NH2+]CC1 ZINC000086702798 135095065 /nfs/dbraw/zinc/09/50/65/135095065.db2.gz IJFXFTVOLRBGCW-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP COC(=O)[C@H](C)C[N@H+](C)CC1CC[NH2+]CC1 ZINC000086702785 135095278 /nfs/dbraw/zinc/09/52/78/135095278.db2.gz OFLIWIDXKZUPQG-SNVBAGLBSA-N 2 0 228.336 0.727 20 0 BCADRP C[C@@H]1CN(C)CC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC000252710115 135099127 /nfs/dbraw/zinc/09/91/27/135099127.db2.gz FSJHSJSCZGRDRE-GHMZBOCLSA-N 2 0 248.392 0.351 20 0 BCADRP C[C@H]1C[N@H+](CCn2cccn2)CC[C@@H]1[NH3+] ZINC000086886085 135101063 /nfs/dbraw/zinc/10/10/63/135101063.db2.gz HYGBVRCOYQCZPR-QWRGUYRKSA-N 2 0 208.309 0.552 20 0 BCADRP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[NH3+] ZINC000086930514 135103072 /nfs/dbraw/zinc/10/30/72/135103072.db2.gz RXUIICOHDKVPIY-VHSXEESVSA-N 2 0 211.309 0.030 20 0 BCADRP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000252844482 135112848 /nfs/dbraw/zinc/11/28/48/135112848.db2.gz DOQZBQIDZFEGDS-AVGNSLFASA-N 2 0 234.347 0.979 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000262324748 135118049 /nfs/dbraw/zinc/11/80/49/135118049.db2.gz FWAIVMWWGMKDCD-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000262902630 135123422 /nfs/dbraw/zinc/12/34/22/135123422.db2.gz DSORFYSMCVXKQP-SCVCMEIPSA-N 2 0 225.336 0.454 20 0 BCADRP C[N@H+](CCOCC[NH3+])CCOCC1CC1 ZINC000087399859 135128574 /nfs/dbraw/zinc/12/85/74/135128574.db2.gz HGSNZYZCANNXNZ-UHFFFAOYSA-N 2 0 216.325 0.320 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000087471642 135141292 /nfs/dbraw/zinc/14/12/92/135141292.db2.gz PFCZFHZAOGUEOG-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]1COCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261545763 135151450 /nfs/dbraw/zinc/15/14/50/135151450.db2.gz KJBFMBFCAJKYIX-NEPJUHHUSA-N 2 0 212.337 0.954 20 0 BCADRP COCC[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261528793 135154552 /nfs/dbraw/zinc/15/45/52/135154552.db2.gz NXNVPZMDUXONJN-GHMZBOCLSA-N 2 0 200.326 0.953 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC(CC)(CC)C[NH3+] ZINC000261529830 135156994 /nfs/dbraw/zinc/15/69/94/135156994.db2.gz BMEBYYLGUASHJT-QMMMGPOBSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)C[NH+](C)C ZINC000261531383 135159935 /nfs/dbraw/zinc/15/99/35/135159935.db2.gz GHPAFSGKIBGNRX-WCABBAIRSA-N 2 0 213.325 0.051 20 0 BCADRP C[N@H+](C[C@H]1CCC[C@H]1O)CC(C)(C)[NH3+] ZINC000261531121 135160078 /nfs/dbraw/zinc/16/00/78/135160078.db2.gz FHBMDILLCFKVCD-NXEZZACHSA-N 2 0 200.326 0.817 20 0 BCADRP C[N@H+](C[C@@H]1CCC[C@H]1O)CC(C)(C)[NH3+] ZINC000261531123 135160214 /nfs/dbraw/zinc/16/02/14/135160214.db2.gz FHBMDILLCFKVCD-VHSXEESVSA-N 2 0 200.326 0.817 20 0 BCADRP C[C@@H]1CN(C)CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000261532970 135163866 /nfs/dbraw/zinc/16/38/66/135163866.db2.gz FBPZYWDOBFNSGN-GHMZBOCLSA-N 2 0 225.336 0.291 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H]1O ZINC000261533452 135165252 /nfs/dbraw/zinc/16/52/52/135165252.db2.gz BAGOVGAEKNFATB-WOPDTQHZSA-N 2 0 212.337 0.689 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000353168503 135167419 /nfs/dbraw/zinc/16/74/19/135167419.db2.gz JYQADJKLNPGRAD-MXWKQRLJSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@H]1CO ZINC000261536667 135172158 /nfs/dbraw/zinc/17/21/58/135172158.db2.gz SKUVSBUDJUYXEC-JQWIXIFHSA-N 2 0 212.337 0.689 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000261536879 135173317 /nfs/dbraw/zinc/17/33/17/135173317.db2.gz UBTRAPXZOWBJSU-SFYZADRCSA-N 2 0 201.314 0.213 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000261539536 135177758 /nfs/dbraw/zinc/17/77/58/135177758.db2.gz CRZWGNITFFKKDH-NXEZZACHSA-N 2 0 213.325 0.243 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(CC(C)(C)[NH3+])C1 ZINC000261539866 135178572 /nfs/dbraw/zinc/17/85/72/135178572.db2.gz DGKIJNXYDMNHJN-NSHDSACASA-N 2 0 213.369 0.997 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCC1([NH3+])CCCCC1 ZINC000261540785 135179820 /nfs/dbraw/zinc/17/98/20/135179820.db2.gz FFGHEPRKVUMSCQ-VIFPVBQESA-N 2 0 213.325 0.502 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C1([NH3+])CCCCC1 ZINC000261551326 135189817 /nfs/dbraw/zinc/18/98/17/135189817.db2.gz QIMQTJUHFXJZCF-VIFPVBQESA-N 2 0 213.325 0.502 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000261551395 135190777 /nfs/dbraw/zinc/19/07/77/135190777.db2.gz QMNYBJBKKUZDQF-KOLCDFICSA-N 2 0 213.325 0.372 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCn1ccnc1 ZINC000084216431 135192454 /nfs/dbraw/zinc/19/24/54/135192454.db2.gz ZJYCTXMWQYJMGY-RYUDHWBXSA-N 2 0 222.336 0.990 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCOCC(F)F)C1 ZINC000261555477 135195133 /nfs/dbraw/zinc/19/51/33/135195133.db2.gz VAZTZJLKNBBKLW-BDAKNGLRSA-N 2 0 222.279 0.937 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)CC[NH2+]C ZINC000261558399 135199286 /nfs/dbraw/zinc/19/92/86/135199286.db2.gz YHWNTLYYPYCQOF-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP C[C@H](C(=O)NC1CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261558855 135199549 /nfs/dbraw/zinc/19/95/49/135199549.db2.gz STXCIIBFCIKYHU-JFGNBEQYSA-N 2 0 237.347 0.337 20 0 BCADRP O=C(CN1CC[C@H]2C[NH2+]C[C@H]2C1)NCC1CC1 ZINC000261558839 135199689 /nfs/dbraw/zinc/19/96/89/135199689.db2.gz SSWBMRITMXTAQJ-RYUDHWBXSA-N 2 0 237.347 0.054 20 0 BCADRP C[C@]1(C[N@@H+]2CCC[C@@H](CO)C2)CC[NH2+]C1 ZINC000261560112 135201117 /nfs/dbraw/zinc/20/11/17/135201117.db2.gz ZQHCJLDOZMRAKR-NEPJUHHUSA-N 2 0 212.337 0.690 20 0 BCADRP CC(C)(C)NC(=O)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261563350 135204926 /nfs/dbraw/zinc/20/49/26/135204926.db2.gz WZDJQVFGBWJUQA-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@](C[NH3+])([NH2+]CCOCC(F)F)C1CC1 ZINC000261564217 135206219 /nfs/dbraw/zinc/20/62/19/135206219.db2.gz CKERSVPTXHLCRA-JTQLQIEISA-N 2 0 222.279 0.985 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000261567473 135209846 /nfs/dbraw/zinc/20/98/46/135209846.db2.gz ZUQNCKHROJAEQN-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CCC[NH3+] ZINC000261569668 135211610 /nfs/dbraw/zinc/21/16/10/135211610.db2.gz GJSNKYMNAVHROU-LLVKDONJSA-N 2 0 215.341 0.605 20 0 BCADRP C[C@@H](Cn1cncn1)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000164123158 135213555 /nfs/dbraw/zinc/21/35/55/135213555.db2.gz RRKHONOHMNEOPY-QJPTWQEYSA-N 2 0 237.351 0.739 20 0 BCADRP O=C(C[C@@H]1CC[NH2+]C1)NCC[NH+]1CCCC1 ZINC000084381953 135215409 /nfs/dbraw/zinc/21/54/09/135215409.db2.gz NEVVUJDYYXSTNP-NSHDSACASA-N 2 0 225.336 0.198 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000261574132 135215936 /nfs/dbraw/zinc/21/59/36/135215936.db2.gz JCOVBVMXLCGIFB-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000261577348 135218618 /nfs/dbraw/zinc/21/86/18/135218618.db2.gz LBGOMQGPFSUKBW-QXEWZRGKSA-N 2 0 215.341 0.459 20 0 BCADRP [NH3+][C@@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000261579184 135219640 /nfs/dbraw/zinc/21/96/40/135219640.db2.gz MEIMACNNJLUJSD-GFCCVEGCSA-N 2 0 211.353 0.799 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)CC[C@H](C)[NH3+] ZINC000261578907 135220046 /nfs/dbraw/zinc/22/00/46/135220046.db2.gz LZOYYVZOZOSQBB-VHSXEESVSA-N 2 0 215.341 0.603 20 0 BCADRP COC[C@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261580059 135220828 /nfs/dbraw/zinc/22/08/28/135220828.db2.gz MQECEAWOBAGWHX-NWDGAFQWSA-N 2 0 227.352 0.001 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC(C)(C)C[NH3+] ZINC000261582702 135223486 /nfs/dbraw/zinc/22/34/86/135223486.db2.gz ONVPTZGRTOACMU-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C2C[NH2+]C2)C1 ZINC000164367337 135223595 /nfs/dbraw/zinc/22/35/95/135223595.db2.gz UEPRILLIBJGIPC-CMPLNLGQSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000164380500 135225405 /nfs/dbraw/zinc/22/54/05/135225405.db2.gz VOLIIZQXENCANE-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(CC(C)(C)[NH3+])[C@H]2C1 ZINC000261585452 135227071 /nfs/dbraw/zinc/22/70/71/135227071.db2.gz QJHVIEUNCJXKAU-QWRGUYRKSA-N 2 0 211.353 0.750 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1C[NH2+]C1 ZINC000261585815 135227133 /nfs/dbraw/zinc/22/71/33/135227133.db2.gz QQJCKZQXFBBDMW-JTQLQIEISA-N 2 0 213.325 0.038 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CC[NH2+]CC1 ZINC000261588561 135229472 /nfs/dbraw/zinc/22/94/72/135229472.db2.gz SKSJFTQXZMHEOT-WDEREUQCSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)CC[NH3+])c1ccsc1 ZINC000261589973 135231177 /nfs/dbraw/zinc/23/11/77/135231177.db2.gz UGEFPJXXOKUXOQ-SNVBAGLBSA-N 2 0 241.360 0.816 20 0 BCADRP C[N@H+](CC1CC[NH2+]CC1)[C@@H](CN)C1CC1 ZINC000261591718 135231676 /nfs/dbraw/zinc/23/16/76/135231676.db2.gz VNJQJRPWCQTUTM-LBPRGKRZSA-N 2 0 211.353 0.655 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000261593384 135233503 /nfs/dbraw/zinc/23/35/03/135233503.db2.gz WSOFBDHWBMASRX-RKDXNWHRSA-N 2 0 215.341 0.603 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)[C@H](C)C[NH3+] ZINC000261593422 135233549 /nfs/dbraw/zinc/23/35/49/135233549.db2.gz WUKGGJTYKKBHPO-UTLUCORTSA-N 2 0 213.325 0.180 20 0 BCADRP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CC1CC[NH2+]CC1 ZINC000261546531 135238179 /nfs/dbraw/zinc/23/81/79/135238179.db2.gz GWWQHPMUAFAXEY-MEBFFEOJSA-N 2 0 236.359 0.687 20 0 BCADRP CC(C)OCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261547855 135240890 /nfs/dbraw/zinc/24/08/90/135240890.db2.gz ISQRNHFLQSTXBH-CYBMUJFWSA-N 2 0 241.379 0.391 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000261649993 135242373 /nfs/dbraw/zinc/24/23/73/135242373.db2.gz FJROVMJVEZYKEZ-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP OCC[N@H+](CC1CC[NH2+]CC1)C1CCOCC1 ZINC000261638661 135242957 /nfs/dbraw/zinc/24/29/57/135242957.db2.gz ACDCDPFIYGWPDC-UHFFFAOYSA-N 2 0 242.363 0.459 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261665907 135243567 /nfs/dbraw/zinc/24/35/67/135243567.db2.gz CKAJYOHYHUGQAJ-QCNOEVLYSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)[NH3+])C1 ZINC000261719305 135247450 /nfs/dbraw/zinc/24/74/50/135247450.db2.gz FBBPYJLETUVEEI-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261729589 135248205 /nfs/dbraw/zinc/24/82/05/135248205.db2.gz HPLGOEBNVHXRLH-WRWGMCAJSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000084420079 135249142 /nfs/dbraw/zinc/24/91/42/135249142.db2.gz GCLNTOFOMUFBRA-VHSXEESVSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000084420102 135249378 /nfs/dbraw/zinc/24/93/78/135249378.db2.gz RAWDPQROEMYBJY-GHMZBOCLSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261748107 135250155 /nfs/dbraw/zinc/25/01/55/135250155.db2.gz OSYFQJUMHTZPJA-LLVKDONJSA-N 2 0 235.331 0.364 20 0 BCADRP C[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261761678 135251043 /nfs/dbraw/zinc/25/10/43/135251043.db2.gz JTHSVBXRZBRXHJ-NWDGAFQWSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261811340 135254298 /nfs/dbraw/zinc/25/42/98/135254298.db2.gz HREOSDDXRROIIQ-UTUOFQBUSA-N 2 0 239.363 0.429 20 0 BCADRP COC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000261823221 135255017 /nfs/dbraw/zinc/25/50/17/135255017.db2.gz IOUGWVZZMCVUFG-AAEUAGOBSA-N 2 0 242.363 0.722 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261819033 135255192 /nfs/dbraw/zinc/25/51/92/135255192.db2.gz NXRVXAROLGFTII-BBBLOLIVSA-N 2 0 213.325 0.167 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261857071 135258120 /nfs/dbraw/zinc/25/81/20/135258120.db2.gz WNDGJAKCRJFLEM-GRYCIOLGSA-N 2 0 239.363 0.572 20 0 BCADRP COCCN(C[C@]1(C)CC[NH2+]C1)[C@H]1CCOC1 ZINC000261875138 135259207 /nfs/dbraw/zinc/25/92/07/135259207.db2.gz POTSMMIMBLARCW-QWHCGFSZSA-N 2 0 242.363 0.723 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261887823 135260363 /nfs/dbraw/zinc/26/03/63/135260363.db2.gz UVLBWAHFHGLJED-OUAUKWLOSA-N 2 0 227.352 0.618 20 0 BCADRP CCC[NH2+]CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261897722 135261248 /nfs/dbraw/zinc/26/12/48/135261248.db2.gz VYOYVBNTXWVLOM-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000261932977 135264687 /nfs/dbraw/zinc/26/46/87/135264687.db2.gz BUMAOLJTIBFRQW-GARJFASQSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC1CC1 ZINC000261947432 135265193 /nfs/dbraw/zinc/26/51/93/135265193.db2.gz FPFXQTZMMPFXQY-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CCOC[C@@]12CCOC2 ZINC000261940653 135265202 /nfs/dbraw/zinc/26/52/02/135265202.db2.gz MPDIDOIFYJTPAT-ZDUSSCGKSA-N 2 0 240.347 0.477 20 0 BCADRP C[NH+](C)[C@@H](CNC1=[NH+]CCCN1)C1CC1 ZINC000261987025 135269615 /nfs/dbraw/zinc/26/96/15/135269615.db2.gz QINWDEQCEJNBPF-JTQLQIEISA-N 2 0 210.325 0.266 20 0 BCADRP [NH3+][C@H](CC(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000261996366 135270520 /nfs/dbraw/zinc/27/05/20/135270520.db2.gz ZFMAJPBWQAJXGK-OLZOCXBDSA-N 2 0 247.342 0.930 20 0 BCADRP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@@H](C(N)=O)C1 ZINC000262018917 135272850 /nfs/dbraw/zinc/27/28/50/135272850.db2.gz VZETWEFNJQODHS-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@](C[NH3+])(NC(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CC1 ZINC000262020472 135272864 /nfs/dbraw/zinc/27/28/64/135272864.db2.gz YQUZGEMSNCESMJ-UFGOTCBOSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000262023363 135274284 /nfs/dbraw/zinc/27/42/84/135274284.db2.gz MPTLURSZSKUSBW-TUAOUCFPSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1C[NH2+]C1 ZINC000262034107 135275021 /nfs/dbraw/zinc/27/50/21/135275021.db2.gz PPMFERHAJHLDKB-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000262049709 135275754 /nfs/dbraw/zinc/27/57/54/135275754.db2.gz QDJDQJVXEGKKPI-JQWIXIFHSA-N 2 0 227.352 0.714 20 0 BCADRP COc1ccccc1[C@@H]1C[NH2+]CCN1C[C@H](C)[NH3+] ZINC000262177752 135283796 /nfs/dbraw/zinc/28/37/96/135283796.db2.gz IKHKMLUSXKLPLC-AAEUAGOBSA-N 2 0 249.358 0.989 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2C[NH2+]C2)C1 ZINC000262240978 135287179 /nfs/dbraw/zinc/28/71/79/135287179.db2.gz NXYCPEIDUXFGQI-NSHDSACASA-N 2 0 239.363 0.396 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262263259 135289172 /nfs/dbraw/zinc/28/91/72/135289172.db2.gz XTRFKOZBGFOOFT-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP NC(=O)C[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262269973 135289182 /nfs/dbraw/zinc/28/91/82/135289182.db2.gz SIAIZFXACWTDSI-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000262310248 135292316 /nfs/dbraw/zinc/29/23/16/135292316.db2.gz CUUIPRXGVNIRAA-QWRGUYRKSA-N 2 0 227.352 0.429 20 0 BCADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@H]1CC[NH2+]1 ZINC000262309224 135292376 /nfs/dbraw/zinc/29/23/76/135292376.db2.gz CRWFFOYTXOIMHN-OLZOCXBDSA-N 2 0 245.326 0.352 20 0 BCADRP C[NH2+]CCC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000262379300 135297885 /nfs/dbraw/zinc/29/78/85/135297885.db2.gz MTHIYHMABGOWCS-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH2+]C)[C@@H](C)C1 ZINC000262451774 135299956 /nfs/dbraw/zinc/29/99/56/135299956.db2.gz WCRNBTVJZKDERB-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)CC1(C[NH3+])CCCCC1 ZINC000262463797 135300893 /nfs/dbraw/zinc/30/08/93/135300893.db2.gz LFBPOAOUJCJCFJ-JTQLQIEISA-N 2 0 227.352 0.749 20 0 BCADRP [NH3+]CCCC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262466591 135301302 /nfs/dbraw/zinc/30/13/02/135301302.db2.gz YDJYATJKKBNOGF-LLVKDONJSA-N 2 0 227.352 0.749 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000262484054 135301559 /nfs/dbraw/zinc/30/15/59/135301559.db2.gz ZWKDAFUINGZCAS-OUAUKWLOSA-N 2 0 227.352 0.522 20 0 BCADRP CC(C)[C@@H](C(=O)NCC1([NH3+])CCC1)[NH+](C)C ZINC000342600686 135301629 /nfs/dbraw/zinc/30/16/29/135301629.db2.gz WRLJVRAXBNKVGZ-JTQLQIEISA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH3+])CCC1 ZINC000342607710 135302861 /nfs/dbraw/zinc/30/28/61/135302861.db2.gz OJJOEVCCYYTIDA-PHIMTYICSA-N 2 0 239.363 0.857 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@H](C[NH3+])C1)[NH+](C)C ZINC000262543382 135304364 /nfs/dbraw/zinc/30/43/64/135304364.db2.gz XRZPETAEKHHXIS-GHMZBOCLSA-N 2 0 227.352 0.380 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000262580537 135306655 /nfs/dbraw/zinc/30/66/55/135306655.db2.gz IZDBXMNCUKRHMZ-SECBINFHSA-N 2 0 229.368 0.803 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262594656 135307756 /nfs/dbraw/zinc/30/77/56/135307756.db2.gz WTMIKBUCBBJZTJ-LBPRGKRZSA-N 2 0 229.368 0.947 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262593906 135308025 /nfs/dbraw/zinc/30/80/25/135308025.db2.gz WJJIVOAGILXPIW-JTQLQIEISA-N 2 0 229.368 0.803 20 0 BCADRP C[C@](C[NH3+])(NC(=O)C[NH2+]CC1CC1)C1CC1 ZINC000262605783 135308088 /nfs/dbraw/zinc/30/80/88/135308088.db2.gz BPWZEGZNAQUHDO-GFCCVEGCSA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[NH2+]CC1CC1 ZINC000262615219 135308452 /nfs/dbraw/zinc/30/84/52/135308452.db2.gz XXGPMIYWPZKLGF-LBPRGKRZSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000262611963 135308783 /nfs/dbraw/zinc/30/87/83/135308783.db2.gz FBHBDHOBOYIPFV-ZDCRXTMVSA-N 2 0 227.352 0.603 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000262611464 135309009 /nfs/dbraw/zinc/30/90/09/135309009.db2.gz BWRZLKTUDGQTDF-STQMWFEESA-N 2 0 247.342 0.848 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000342751271 135311388 /nfs/dbraw/zinc/31/13/88/135311388.db2.gz NOOUBZUWLYYZKQ-TUAOUCFPSA-N 2 0 241.379 0.864 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262652205 135311436 /nfs/dbraw/zinc/31/14/36/135311436.db2.gz VMGAZXYBWDHEFT-NTZNESFSSA-N 2 0 239.363 0.857 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)NCC(C)(C)[NH3+])cc1 ZINC000262665571 135312131 /nfs/dbraw/zinc/31/21/31/135312131.db2.gz PIHUFBGXONOIJH-LLVKDONJSA-N 2 0 235.331 0.848 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000342711495 135313447 /nfs/dbraw/zinc/31/34/47/135313447.db2.gz LXYCRBULAPQKQN-WDEREUQCSA-N 2 0 227.352 0.298 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000262715799 135315337 /nfs/dbraw/zinc/31/53/37/135315337.db2.gz DMZRHXNASMFXSX-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C[NH2+]CC1CC1 ZINC000262737929 135316233 /nfs/dbraw/zinc/31/62/33/135316233.db2.gz GSXSGCKDLYJNPI-CMPLNLGQSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C[NH2+]CC1CC1 ZINC000262737933 135316736 /nfs/dbraw/zinc/31/67/36/135316736.db2.gz GSXSGCKDLYJNPI-JQWIXIFHSA-N 2 0 239.363 0.714 20 0 BCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)C1C[NH2+]C1 ZINC000262792766 135318206 /nfs/dbraw/zinc/31/82/06/135318206.db2.gz ORWIBVDEGPMJRU-UHFFFAOYSA-N 2 0 231.299 0.125 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000262919735 135324247 /nfs/dbraw/zinc/32/42/47/135324247.db2.gz ZGPLPSVBFHBPSL-NTZNESFSSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000263095188 135332744 /nfs/dbraw/zinc/33/27/44/135332744.db2.gz NPEHFRDXZYORBE-AXFHLTTASA-N 2 0 225.336 0.243 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000263094688 135332887 /nfs/dbraw/zinc/33/28/87/135332887.db2.gz YVFPDXNLNZQEHC-PWSUYJOCSA-N 2 0 225.336 0.326 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263221670 135340188 /nfs/dbraw/zinc/34/01/88/135340188.db2.gz LYQGPCPBIBJDIO-WCQYABFASA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+]CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000263260666 135343735 /nfs/dbraw/zinc/34/37/35/135343735.db2.gz SKYWHXNIPDHQEY-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP C[NH2+]CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000263260668 135343816 /nfs/dbraw/zinc/34/38/16/135343816.db2.gz SKYWHXNIPDHQEY-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000263296631 135345239 /nfs/dbraw/zinc/34/52/39/135345239.db2.gz WKWCSQOZGLKMME-MDZLAQPJSA-N 2 0 239.363 0.844 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000334320826 135352318 /nfs/dbraw/zinc/35/23/18/135352318.db2.gz HEZWMCVVNYNXEO-ZDUSSCGKSA-N 2 0 223.364 0.671 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C1([NH3+])CCCCC1 ZINC000334325499 135353839 /nfs/dbraw/zinc/35/38/39/135353839.db2.gz KRGRDCQINLCVKK-GHMZBOCLSA-N 2 0 239.363 0.844 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164479328 135356416 /nfs/dbraw/zinc/35/64/16/135356416.db2.gz FYYWDUIURYEGGR-MNOVXSKESA-N 2 0 241.379 0.688 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000334437134 135403955 /nfs/dbraw/zinc/40/39/55/135403955.db2.gz QVQOJGCUJSAOPT-NSHDSACASA-N 2 0 239.363 0.573 20 0 BCADRP C[C@@H](C(=O)NC1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000165101641 135469228 /nfs/dbraw/zinc/46/92/28/135469228.db2.gz XQYGFVYQCUFAHS-BDAKNGLRSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000084382851 135469848 /nfs/dbraw/zinc/46/98/48/135469848.db2.gz LYGFCWXZJOQWON-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085356792 135481999 /nfs/dbraw/zinc/48/19/99/135481999.db2.gz HRBGKIMWTJBYDV-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](CNC(=O)C1([NH3+])CC1)C[NH+]1CCCCC1 ZINC000088130647 135516378 /nfs/dbraw/zinc/51/63/78/135516378.db2.gz FNMYFQBKPHILGW-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000193522993 135594275 /nfs/dbraw/zinc/59/42/75/135594275.db2.gz TVILRYQEMNMYLR-LOWVWBTDSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000334940876 135846526 /nfs/dbraw/zinc/84/65/26/135846526.db2.gz RCKZVNBDJCCXFG-GHMZBOCLSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCC[NH2+]CC2)C1 ZINC000334953276 135849497 /nfs/dbraw/zinc/84/94/97/135849497.db2.gz SZAIUFXFYRAQCD-WDEREUQCSA-N 2 0 240.351 0.261 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000335038767 135871188 /nfs/dbraw/zinc/87/11/88/135871188.db2.gz ORESXGTUQHTWAA-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP CC1(C(=O)N2CCC[C@@H](CC[NH3+])C2)C[NH2+]C1 ZINC000335048468 135873185 /nfs/dbraw/zinc/87/31/85/135873185.db2.gz RUMVDXBTFYBFMJ-JTQLQIEISA-N 2 0 225.336 0.183 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000335055650 135874695 /nfs/dbraw/zinc/87/46/95/135874695.db2.gz CQKMHIDJVPBJIH-QWRGUYRKSA-N 2 0 239.363 0.905 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000335183217 135965655 /nfs/dbraw/zinc/96/56/55/135965655.db2.gz DFXIFKRMUGCTDY-MNOVXSKESA-N 2 0 237.347 0.326 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H](c1ccccc1)N(C)C ZINC000347647286 136000022 /nfs/dbraw/zinc/00/00/22/136000022.db2.gz FSRZXSOURPSSNK-ZYHUDNBSSA-N 2 0 235.331 0.753 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000348153642 136040105 /nfs/dbraw/zinc/04/01/05/136040105.db2.gz DFBGPUXQCUUXLR-UTLUCORTSA-N 2 0 213.325 0.086 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000335344198 136065466 /nfs/dbraw/zinc/06/54/66/136065466.db2.gz GDMBQHKRHCTBAZ-SLUFNMETSA-N 2 0 211.309 0.110 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000335345221 136065809 /nfs/dbraw/zinc/06/58/09/136065809.db2.gz LVMCMMLRGOUWQJ-QWRGUYRKSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000335345895 136066399 /nfs/dbraw/zinc/06/63/99/136066399.db2.gz QXMSXKYAKYCOBJ-PHIMTYICSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000335351180 136069256 /nfs/dbraw/zinc/06/92/56/136069256.db2.gz OJEHXJMNMAIFNE-QWHCGFSZSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)NCC(C)(C)[NH3+])[C@H]1C ZINC000335361648 136080738 /nfs/dbraw/zinc/08/07/38/136080738.db2.gz UCDWFLLPGSWDLW-IUCAKERBSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@@H]1CCN(C(=O)NCC(C)(C)[NH3+])[C@H](C[NH3+])C1 ZINC000335361833 136081432 /nfs/dbraw/zinc/08/14/32/136081432.db2.gz WXZDSNJFMGZEQI-ZJUUUORDSA-N 2 0 242.367 0.493 20 0 BCADRP CC(C)[C@@H](C(=O)N1CCC([NH3+])CC1)[C@@H](C)[NH3+] ZINC000335378582 136086260 /nfs/dbraw/zinc/08/62/60/136086260.db2.gz DIEIEZZMBPHNEH-MWLCHTKSSA-N 2 0 227.352 0.556 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000335378618 136086338 /nfs/dbraw/zinc/08/63/38/136086338.db2.gz FIBJUXWEGXFSDT-GFCCVEGCSA-N 2 0 239.363 0.729 20 0 BCADRP O=C([C@H]1CCC[NH2+]C1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000335386015 136088789 /nfs/dbraw/zinc/08/87/89/136088789.db2.gz LWKCXZIRDBGSEW-JQWIXIFHSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000335387816 136089615 /nfs/dbraw/zinc/08/96/15/136089615.db2.gz UKMCQWXKOCPQGW-PWSUYJOCSA-N 2 0 239.363 0.585 20 0 BCADRP C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)[C@H]1CC[NH2+]C1 ZINC000335391811 136090794 /nfs/dbraw/zinc/09/07/94/136090794.db2.gz JCURTFLEXLQYAX-OLZOCXBDSA-N 3 0 223.364 0.671 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000335395471 136092294 /nfs/dbraw/zinc/09/22/94/136092294.db2.gz OQTLCDIQVIAAMT-MFKMUULPSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH2+]CC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000335396301 136092540 /nfs/dbraw/zinc/09/25/40/136092540.db2.gz OGKLFNNVKZFXBV-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP CNC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000335397755 136093008 /nfs/dbraw/zinc/09/30/08/136093008.db2.gz XHFVBNXWOGZJRN-NSHDSACASA-N 2 0 225.336 0.054 20 0 BCADRP C[C@@H](C(N)=O)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335397702 136093016 /nfs/dbraw/zinc/09/30/16/136093016.db2.gz VELYIWUDQXHTKR-VIFPVBQESA-N 2 0 211.309 0.986 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000348663721 136115552 /nfs/dbraw/zinc/11/55/52/136115552.db2.gz FAKNVARMLSMYIX-QWRGUYRKSA-N 2 0 229.368 0.639 20 0 BCADRP CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[NH2+]C ZINC000370768137 397942403 /nfs/dbraw/zinc/94/24/03/397942403.db2.gz YMPWUUVPALFSLM-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000449556471 397955781 /nfs/dbraw/zinc/95/57/81/397955781.db2.gz NGIJDPOWQONDHY-DDHJBXDOSA-N 2 0 239.363 0.428 20 0 BCADRP CC[N@H+](C)CCNC(=O)C1CC[NH2+]CC1 ZINC000054133115 397903347 /nfs/dbraw/zinc/90/33/47/397903347.db2.gz ZYZVXPKBBUNYFP-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP CC1([NH3+])CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000648121318 398004485 /nfs/dbraw/zinc/00/44/85/398004485.db2.gz CNGNTIQBVQUVQP-BBBLOLIVSA-N 2 0 223.320 0.077 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953162 398009711 /nfs/dbraw/zinc/00/97/11/398009711.db2.gz FVGXRAPNDJIGBH-JQWIXIFHSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](O)C2)CC[NH2+]1 ZINC000414670826 398013686 /nfs/dbraw/zinc/01/36/86/398013686.db2.gz NDDPGACTUJRPSF-GRYCIOLGSA-N 2 0 212.337 0.831 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000020217835 398017113 /nfs/dbraw/zinc/01/71/13/398017113.db2.gz SVKRUPQNPAUGIM-NSHDSACASA-N 2 0 227.352 0.524 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000365094612 398023300 /nfs/dbraw/zinc/02/33/00/398023300.db2.gz OSRMJPSPWVUVSM-UMNHJUIQSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637807858 398023846 /nfs/dbraw/zinc/02/38/46/398023846.db2.gz PSRZVHBIJWLRNH-ZMLRMANQSA-N 2 0 237.347 0.762 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](C)[NH+](C)C ZINC000637865119 398032196 /nfs/dbraw/zinc/03/21/96/398032196.db2.gz UUBAOWQWFJKSMR-GHMZBOCLSA-N 2 0 229.368 0.768 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418316761 398032842 /nfs/dbraw/zinc/03/28/42/398032842.db2.gz ZRXUVFZSERHMJO-QWRGUYRKSA-N 2 0 242.367 0.413 20 0 BCADRP CCC[C@@H](C)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685238 398035593 /nfs/dbraw/zinc/03/55/93/398035593.db2.gz TYANTGVQVVZUNL-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP C1[C@H](c2nc([C@@H]3CCC[NH2+]3)no2)[C@]12CC[NH2+]C2 ZINC000647148335 398093010 /nfs/dbraw/zinc/09/30/10/398093010.db2.gz LXAGLDFGQIESTQ-VDDIYKPWSA-N 2 0 234.303 0.961 20 0 BCADRP C[C@@H](CNC(=O)/C=C/C[NH+](C)C)[N@H+](C)C1CC1 ZINC000491853797 398075257 /nfs/dbraw/zinc/07/52/57/398075257.db2.gz WFCOYQRRELYSLP-QRGHLMKCSA-N 2 0 239.363 0.703 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000638189579 398078958 /nfs/dbraw/zinc/07/89/58/398078958.db2.gz DFBBTKBBIQOVSC-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC12CC[NH2+]CC2)[NH+](C)C ZINC000638244250 398081042 /nfs/dbraw/zinc/08/10/42/398081042.db2.gz HMYHODJGZSEVLX-ZJUUUORDSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638244491 398081494 /nfs/dbraw/zinc/08/14/94/398081494.db2.gz WXPPEKNVFWRMJS-MWLCHTKSSA-N 2 0 225.336 0.668 20 0 BCADRP CN(Cc1cncn1C)CC(C)(C)C[NH3+] ZINC000086637151 398056264 /nfs/dbraw/zinc/05/62/64/398056264.db2.gz CAFFEJGWUROSHU-UHFFFAOYSA-N 2 0 210.325 0.837 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CNCC[C@H]2C)CC[NH2+]1 ZINC000414923814 398100215 /nfs/dbraw/zinc/10/02/15/398100215.db2.gz IBYRHEADMFEGAQ-FDYHWXHSSA-N 2 0 225.380 0.962 20 0 BCADRP CCN1CC[C@@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000389524916 398110191 /nfs/dbraw/zinc/11/01/91/398110191.db2.gz HPBWBZGOUYEZKC-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP O[C@H](C[NH2+]CCCCF)C[NH+]1CCCC1 ZINC000309106324 398111077 /nfs/dbraw/zinc/11/10/77/398111077.db2.gz IBXJQOXLJHKUTG-LLVKDONJSA-N 2 0 218.316 0.782 20 0 BCADRP C[C@@H]([NH3+])CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000107213659 322862294 /nfs/dbraw/zinc/86/22/94/322862294.db2.gz PKNXUJDEJKECSK-VXGBXAGGSA-N 2 0 211.353 0.751 20 0 BCADRP CC[C@H](C)C[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000308749769 171284950 /nfs/dbraw/zinc/28/49/50/171284950.db2.gz TWAQTGKVONLSQZ-QWRGUYRKSA-N 2 0 200.326 0.689 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000627158051 398114916 /nfs/dbraw/zinc/11/49/16/398114916.db2.gz HVAARXCNAPMNRZ-HOSYDEDBSA-N 2 0 240.351 0.178 20 0 BCADRP C[NH2+]CCN(C)C(=O)c1c[nH+]ccc1N(C)C ZINC000515060664 398131673 /nfs/dbraw/zinc/13/16/73/398131673.db2.gz HLVRRQVXYRBZHT-UHFFFAOYSA-N 2 0 236.319 0.439 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236891978 171371303 /nfs/dbraw/zinc/37/13/03/171371303.db2.gz WLTYLKIQFYCTJX-IVZWLZJFSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCc2cn[nH]c2)C1 ZINC000389708054 398125507 /nfs/dbraw/zinc/12/55/07/398125507.db2.gz LJYQNXWRVDUPJP-KOLCDFICSA-N 2 0 208.309 0.621 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCc2cn[nH]c2)C1 ZINC000389708066 398125533 /nfs/dbraw/zinc/12/55/33/398125533.db2.gz LJYQNXWRVDUPJP-MWLCHTKSSA-N 2 0 208.309 0.621 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000037484929 173344434 /nfs/dbraw/zinc/34/44/34/173344434.db2.gz ODMGFKKHXYDILT-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000375285196 173347718 /nfs/dbraw/zinc/34/77/18/173347718.db2.gz BCTGQQGOLHGPSE-JTQLQIEISA-N 2 0 213.325 0.244 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[N@H+](C)CC1 ZINC000037477095 167095304 /nfs/dbraw/zinc/09/53/04/167095304.db2.gz LYIXWYNDTFXRBF-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP C[C@@H]1CCC[N@H+](CCn2cncn2)[C@H]1CC[NH3+] ZINC000404413791 487567885 /nfs/dbraw/zinc/56/78/85/487567885.db2.gz ZPKQQIRBGZZKIB-NEPJUHHUSA-N 2 0 237.351 0.727 20 0 BCADRP C[C@]1(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000162440664 487570528 /nfs/dbraw/zinc/57/05/28/487570528.db2.gz DWULSIDMQARNRE-UMNHJUIQSA-N 2 0 225.336 0.372 20 0 BCADRP CC[NH+](CC)CCCN(C)CCC[NH3+] ZINC000238238857 487570791 /nfs/dbraw/zinc/57/07/91/487570791.db2.gz KRFFEFDMVTUSEO-UHFFFAOYSA-N 2 0 201.358 0.999 20 0 BCADRP [NH3+]CCCn1cc(C2CC[NH2+]CC2)nn1 ZINC000404822428 487572824 /nfs/dbraw/zinc/57/28/24/487572824.db2.gz FBQNVANYLDPNES-UHFFFAOYSA-N 2 0 209.297 0.094 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[NH2+]CC1(C)C ZINC000393744220 487579370 /nfs/dbraw/zinc/57/93/70/487579370.db2.gz KEVNBYPATNINKX-SECBINFHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCN2C)CS1 ZINC000086936044 487587368 /nfs/dbraw/zinc/58/73/68/487587368.db2.gz KLESITKRKPYQMH-GRYCIOLGSA-N 2 0 243.420 0.716 20 0 BCADRP CC(C)OC[C@@H](C)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000336735642 167257680 /nfs/dbraw/zinc/25/76/80/167257680.db2.gz IGIUQLLYBXJURL-VXGBXAGGSA-N 2 0 230.352 0.456 20 0 BCADRP CC(C)OC[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000337337099 167266414 /nfs/dbraw/zinc/26/64/14/167266414.db2.gz MRQGGVBVBXWDME-QWHCGFSZSA-N 2 0 244.379 0.846 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000662411147 487602227 /nfs/dbraw/zinc/60/22/27/487602227.db2.gz ZDEYHQYPHOPYPL-MWLCHTKSSA-N 2 0 227.352 0.570 20 0 BCADRP C([C@@H]1C[NH2+]CCO1)N1CC[NH+](C2CCC2)CC1 ZINC000383317249 487602730 /nfs/dbraw/zinc/60/27/30/487602730.db2.gz OJFYQVUJPNHXTN-ZDUSSCGKSA-N 2 0 239.363 0.145 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCC2(C)C)C[C@H](C)[NH2+]1 ZINC000662416112 487604339 /nfs/dbraw/zinc/60/43/39/487604339.db2.gz TWXLBEQJXLLNER-AXFHLTTASA-N 2 0 239.363 0.583 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000662415035 487604044 /nfs/dbraw/zinc/60/40/44/487604044.db2.gz LOMJDISXODDZSY-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]CC1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662414940 487604555 /nfs/dbraw/zinc/60/45/55/487604555.db2.gz IYFYHOXZLAHCEJ-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP CCCN(C(=O)[C@H](CC)[NH2+]C)[C@H]1CC[NH2+]C1 ZINC000662414394 487604474 /nfs/dbraw/zinc/60/44/74/487604474.db2.gz YVMYCLJGJRYOPN-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP CN(C[C@@H]1C[NH2+]CCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662264789 409561284 /nfs/dbraw/zinc/56/12/84/409561284.db2.gz LWSJEJNGWSAACL-HNGCFSAESA-N 2 0 239.363 0.190 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000662263833 409561748 /nfs/dbraw/zinc/56/17/48/409561748.db2.gz OUBKGUCVFQWMBJ-CHWSQXEVSA-N 2 0 241.379 0.248 20 0 BCADRP COCCC[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254142 409553392 /nfs/dbraw/zinc/55/33/92/409553392.db2.gz MAYNZPWDOSAWFQ-NSHDSACASA-N 2 0 228.336 0.476 20 0 BCADRP CCC1(CNC(=O)[C@@H](N)CC[NH+](C)C)CCC1 ZINC000653089713 409623280 /nfs/dbraw/zinc/62/32/80/409623280.db2.gz RKBUGAVBNZPHDO-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP [NH3+]CCC[N@H+](CCN1CCOCC1)CC1CC1 ZINC000662315974 409637088 /nfs/dbraw/zinc/63/70/88/409637088.db2.gz RZRQANYCYDSPMO-UHFFFAOYSA-N 2 0 241.379 0.379 20 0 BCADRP CC[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000662270762 409572317 /nfs/dbraw/zinc/57/23/17/409572317.db2.gz MWJJVOMOZOFUFA-WOPDTQHZSA-N 2 0 227.352 0.034 20 0 BCADRP COC[C@@H](C[N@@H+]1CC[C@@](C)(C[NH3+])C1)OC ZINC000662273184 409580914 /nfs/dbraw/zinc/58/09/14/409580914.db2.gz MIMXXAMAFWSIRL-MNOVXSKESA-N 2 0 216.325 0.319 20 0 BCADRP C[C@@H]1OCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H]1C ZINC000662276407 409589496 /nfs/dbraw/zinc/58/94/96/409589496.db2.gz IKPNATXARAVSBI-SRVKXCTJSA-N 2 0 240.347 0.617 20 0 BCADRP CC(C)(C)[C@@H](CN)[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662277200 409589941 /nfs/dbraw/zinc/58/99/41/409589941.db2.gz NGYXNFMNCRDPIB-GHMZBOCLSA-N 2 0 241.379 0.470 20 0 BCADRP C[C@@H]1[C@H](C)OCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662276403 409590187 /nfs/dbraw/zinc/59/01/87/409590187.db2.gz IKPNATXARAVSBI-GRYCIOLGSA-N 2 0 240.347 0.617 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(C[C@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000662278369 409598079 /nfs/dbraw/zinc/59/80/79/409598079.db2.gz GEFFVPIVVXLGMH-RWMBFGLXSA-N 2 0 241.379 0.389 20 0 BCADRP C[C@@H]1CC[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1C[NH3+] ZINC000662280893 409600873 /nfs/dbraw/zinc/60/08/73/409600873.db2.gz GWGCIFPWLORMLS-UTUOFQBUSA-N 2 0 239.363 0.524 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C[C@@H](C[NH3+])CC(C)C)C1 ZINC000662395969 409697075 /nfs/dbraw/zinc/69/70/75/409697075.db2.gz NJOHLXLCYYICAL-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000662420568 409707185 /nfs/dbraw/zinc/70/71/85/409707185.db2.gz AWICPGRALJMCJW-VWYCJHECSA-N 2 0 227.352 0.570 20 0 BCADRP CN(C[C@H](O)C[N@@H+]1CC2CC1(C)C2)C1CC1 ZINC000662385222 409690643 /nfs/dbraw/zinc/69/06/43/409690643.db2.gz OBNMSNLCGUDUKA-YDGIUTOCSA-N 2 0 224.348 0.926 20 0 BCADRP C[C@H](C[NH3+])NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662553463 409754267 /nfs/dbraw/zinc/75/42/67/409754267.db2.gz JGLPMADWKUVLIF-MRVPVSSYSA-N 2 0 219.288 0.367 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000662605923 409780078 /nfs/dbraw/zinc/78/00/78/409780078.db2.gz UMDLBFQKYOMZSK-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC000662684083 409832524 /nfs/dbraw/zinc/83/25/24/409832524.db2.gz XBHDLBVNHSLSDM-NSHDSACASA-N 2 0 245.367 0.197 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653126043 409836449 /nfs/dbraw/zinc/83/64/49/409836449.db2.gz HVYZIDYWNFBQDH-MIMYLULJSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653125746 409837114 /nfs/dbraw/zinc/83/71/14/409837114.db2.gz XWLSOJUGMXABQT-UWVGGRQHSA-N 2 0 213.325 0.087 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653127930 409841536 /nfs/dbraw/zinc/84/15/36/409841536.db2.gz AAHHDYLBCSQFBI-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653128754 409842924 /nfs/dbraw/zinc/84/29/24/409842924.db2.gz WWVAPZILKLVYKJ-MIMYLULJSA-N 2 0 225.336 0.371 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)[C@@H]1CCC[NH2+]CC1 ZINC000653130901 409845838 /nfs/dbraw/zinc/84/58/38/409845838.db2.gz JPTUFURKMOCCNZ-GFCCVEGCSA-N 2 0 237.347 0.412 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)[C@H]1CCC[NH2+]CC1 ZINC000653130902 409847380 /nfs/dbraw/zinc/84/73/80/409847380.db2.gz JPTUFURKMOCCNZ-LBPRGKRZSA-N 2 0 237.347 0.412 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]CC1 ZINC000653132507 409849193 /nfs/dbraw/zinc/84/91/93/409849193.db2.gz HZWGWLLYFJHPQC-VXGBXAGGSA-N 2 0 239.363 0.634 20 0 BCADRP CC1(NC(=O)[C@@H]2CCC[NH2+]CC2)CC[NH2+]CC1 ZINC000653134481 409852325 /nfs/dbraw/zinc/85/23/25/409852325.db2.gz BMHOZZUIQXVKTC-LLVKDONJSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@H]2CCC[NH2+]CC2)[C@H]1C ZINC000653135752 409853216 /nfs/dbraw/zinc/85/32/16/409853216.db2.gz OSIRMDWUWFOSHU-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653136664 409857102 /nfs/dbraw/zinc/85/71/02/409857102.db2.gz ZSEBLZVYXUDXRL-MNOVXSKESA-N 2 0 227.352 0.490 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662623650 409795380 /nfs/dbraw/zinc/79/53/80/409795380.db2.gz ZOAARWSOHPGVHG-WDEREUQCSA-N 2 0 241.379 0.959 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653104830 409796799 /nfs/dbraw/zinc/79/67/99/409796799.db2.gz XMACRFBYSZVYJC-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP C[C@@H](CCNC(=O)[C@H]1[NH2+]CC1(C)C)[NH+](C)C ZINC000662636504 409806583 /nfs/dbraw/zinc/80/65/83/409806583.db2.gz YVTXKVMOHIVNMR-VHSXEESVSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@H](CCNC(=O)[C@H](C)[C@H](C)[NH3+])[NH+](C)C ZINC000662635478 409807577 /nfs/dbraw/zinc/80/75/77/409807577.db2.gz WGPVWQNCJZAHPZ-BBBLOLIVSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@H](CCNC(=O)CC[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000662634508 409807790 /nfs/dbraw/zinc/80/77/90/409807790.db2.gz SDMIKJKMZKVEEH-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653110456 409814987 /nfs/dbraw/zinc/81/49/87/409814987.db2.gz JCXDKWQAFURGDC-RYUDHWBXSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653110266 409815654 /nfs/dbraw/zinc/81/56/54/409815654.db2.gz BDGLFRFPEHSRKO-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662659386 409819397 /nfs/dbraw/zinc/81/93/97/409819397.db2.gz LHMFZYRFVOMGKW-MGCOHNPYSA-N 2 0 213.325 0.182 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000662782694 409912756 /nfs/dbraw/zinc/91/27/56/409912756.db2.gz FYMSBAMXWIJUKL-SNVBAGLBSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)CC1([NH3+])CC1)C(F)(F)F ZINC000662782738 409913561 /nfs/dbraw/zinc/91/35/61/409913561.db2.gz GRQZZXQGXKKWNG-ZCFIWIBFSA-N 2 0 239.241 0.264 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000662783949 409916225 /nfs/dbraw/zinc/91/62/25/409916225.db2.gz SOECJGKKLCVDNC-SFYZADRCSA-N 2 0 249.305 0.473 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653145046 409866386 /nfs/dbraw/zinc/86/63/86/409866386.db2.gz WISSDCHKMHPAPS-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP [NH3+]Cc1cc(C(=O)NCC23CC(C2)C[NH2+]3)ccn1 ZINC000662718998 409870188 /nfs/dbraw/zinc/87/01/88/409870188.db2.gz UJJKTJFUJURTPU-UHFFFAOYSA-N 2 0 246.314 0.022 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662757067 409881795 /nfs/dbraw/zinc/88/17/95/409881795.db2.gz LQOCYERBEYKGIN-SECBINFHSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@]1(C(=O)NCC[C@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000662858645 409957583 /nfs/dbraw/zinc/95/75/83/409957583.db2.gz HCJPWCNNNWRIFK-WCQYABFASA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)CC[NH2+]C(C)C ZINC000662954199 409988435 /nfs/dbraw/zinc/98/84/35/409988435.db2.gz SWJAXJDKRPNOFY-SECBINFHSA-N 2 0 201.314 0.099 20 0 BCADRP C[NH2+]CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662839040 409945972 /nfs/dbraw/zinc/94/59/72/409945972.db2.gz OUTFAHLIQAWXCU-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662839719 409948274 /nfs/dbraw/zinc/94/82/74/409948274.db2.gz UCGWOIOALRTGJO-QWRGUYRKSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000662844945 409949032 /nfs/dbraw/zinc/94/90/32/409949032.db2.gz JAMPXYIWEZTVMO-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)CCC(C)(C)[NH3+] ZINC000662844028 409949307 /nfs/dbraw/zinc/94/93/07/409949307.db2.gz XLFOTOJJPLQNBP-UHFFFAOYSA-N 2 0 215.341 0.700 20 0 BCADRP C[C@]1(NC(=O)c2ccnc(C[NH3+])c2)CC[NH2+]C1 ZINC000663009478 410026197 /nfs/dbraw/zinc/02/61/97/410026197.db2.gz DDXOSGZKYXLXLW-LBPRGKRZSA-N 2 0 234.303 0.022 20 0 BCADRP C[C@@]1(NC(=O)c2ccc3c(c2)C[NH2+]C3)CC[NH2+]C1 ZINC000663010154 410028102 /nfs/dbraw/zinc/02/81/02/410028102.db2.gz IHNMYUGLTBRHPN-CQSZACIVSA-N 2 0 245.326 0.772 20 0 BCADRP C[C@]1(NC(=O)CC[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000663011281 410030204 /nfs/dbraw/zinc/03/02/04/410030204.db2.gz OHOAVSIAJHNIHH-PWSUYJOCSA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000653169441 410136906 /nfs/dbraw/zinc/13/69/06/410136906.db2.gz VMKUAFIWRNWVEL-BBVFQPELSA-N 2 0 249.358 0.467 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000653170331 410138191 /nfs/dbraw/zinc/13/81/91/410138191.db2.gz LESPKVHPNUXEFG-UHFFFAOYSA-N 2 0 239.363 0.844 20 0 BCADRP O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CCC[NH2+]CC1 ZINC000655411701 410215638 /nfs/dbraw/zinc/21/56/38/410215638.db2.gz HLFFFLDBIXGEKI-YPMHNXCESA-N 2 0 237.347 0.198 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653193893 410159905 /nfs/dbraw/zinc/15/99/05/410159905.db2.gz LUDGGOYZYUUALS-GVXVVHGQSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653194034 410160460 /nfs/dbraw/zinc/16/04/60/410160460.db2.gz RVBWBVWLQHDFBJ-DCQANWLSSA-N 2 0 239.363 0.557 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH2+]C ZINC000653210896 410165323 /nfs/dbraw/zinc/16/53/23/410165323.db2.gz KUNIIYBHNJXLIX-LBPRGKRZSA-N 2 0 235.331 0.760 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)C[C@@H](C)[NH3+] ZINC000653211226 410165857 /nfs/dbraw/zinc/16/58/57/410165857.db2.gz QXGFGHXNYMDZCF-SNVBAGLBSA-N 2 0 235.331 0.760 20 0 BCADRP [NH3+]CC1(CCNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000653221051 410169779 /nfs/dbraw/zinc/16/97/79/410169779.db2.gz FOWHYNKOFHNUOS-ZWNOBZJWSA-N 2 0 237.347 0.231 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653221405 410171466 /nfs/dbraw/zinc/17/14/66/410171466.db2.gz VWTIUGQCDSMGCO-MNOVXSKESA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000653223003 410171527 /nfs/dbraw/zinc/17/15/27/410171527.db2.gz YZQHTBGCRRKYLP-WDEREUQCSA-N 2 0 239.363 0.620 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000653240094 410181303 /nfs/dbraw/zinc/18/13/03/410181303.db2.gz JWCVZVQRSFTVBU-AXFHLTTASA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655414381 410219375 /nfs/dbraw/zinc/21/93/75/410219375.db2.gz MVVKUIRCXOYHED-CABZTGNLSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(CC[NH3+])CC1 ZINC000653256626 410238076 /nfs/dbraw/zinc/23/80/76/410238076.db2.gz NYTBYDFZMYDJJU-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]CCC1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000653256446 410238112 /nfs/dbraw/zinc/23/81/12/410238112.db2.gz KNKPOKJFCZSZIJ-GDNZZTSVSA-N 2 0 237.347 0.039 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCC(CC[NH3+])CC1 ZINC000653256666 410240272 /nfs/dbraw/zinc/24/02/72/410240272.db2.gz XJQKWPKXIJJHDW-NSHDSACASA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCC(CC[NH3+])CC1 ZINC000653257309 410240351 /nfs/dbraw/zinc/24/03/51/410240351.db2.gz DEIRGQJZGCARHS-UHFFFAOYSA-N 2 0 227.352 0.701 20 0 BCADRP [NH3+]CCC1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000653257384 410240790 /nfs/dbraw/zinc/24/07/90/410240790.db2.gz VVCBPDPQQVRQDA-UHFFFAOYSA-N 2 0 239.363 0.845 20 0 BCADRP C[C@H](CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)[NH+](C)C ZINC000655445985 410268340 /nfs/dbraw/zinc/26/83/40/410268340.db2.gz WJVSGEPOIIWKLR-NQBHXWOUSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@H]1C[N@H+](CCn2cncn2)CC[C@H]1[NH3+] ZINC000309170559 410268644 /nfs/dbraw/zinc/26/86/44/410268644.db2.gz AFUMDKIOMGVQIX-WDEREUQCSA-N 2 0 223.324 0.337 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)CC[NH2+]C1CC1 ZINC000655415918 410221762 /nfs/dbraw/zinc/22/17/62/410221762.db2.gz SRQVGKQJLJIMCA-NSHDSACASA-N 2 0 227.352 0.618 20 0 BCADRP Cn1ccc(C[NH2+]CCC2(C[NH3+])CC2)n1 ZINC000650712765 410344132 /nfs/dbraw/zinc/34/41/32/410344132.db2.gz SWYVNIRIZQNXII-UHFFFAOYSA-N 2 0 208.309 0.639 20 0 BCADRP CCS(=O)(=O)C[C@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713784 410344167 /nfs/dbraw/zinc/34/41/67/410344167.db2.gz BSZZTZSRUGWMLC-JTQLQIEISA-N 2 0 248.392 0.528 20 0 BCADRP C[C@@H](Cn1cccn1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714009 410344624 /nfs/dbraw/zinc/34/46/24/410344624.db2.gz MSZBAFSJJPRFSA-NSHDSACASA-N 2 0 222.336 0.990 20 0 BCADRP Nc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cn1 ZINC000650713025 410345656 /nfs/dbraw/zinc/34/56/56/410345656.db2.gz BXFDOGPEEUADIP-UHFFFAOYSA-N 2 0 220.320 0.713 20 0 BCADRP [NH3+]CCCNCc1ccc(C[NH3+])cc1F ZINC000650717268 410353372 /nfs/dbraw/zinc/35/33/72/410353372.db2.gz WCKXUZSUAOZNGN-UHFFFAOYSA-N 2 0 211.284 0.723 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000653267806 410317149 /nfs/dbraw/zinc/31/71/49/410317149.db2.gz WPSWSVDCZWLHBD-LLVKDONJSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](O)C2)CC[NH2+]1 ZINC000650724834 410360631 /nfs/dbraw/zinc/36/06/31/410360631.db2.gz NDDPGACTUJRPSF-SDDRHHMPSA-N 2 0 212.337 0.831 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000650743630 410377042 /nfs/dbraw/zinc/37/70/42/410377042.db2.gz XZRNURBBYMQLGV-CHWFTXMASA-N 2 0 225.336 0.357 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000650743042 410377597 /nfs/dbraw/zinc/37/75/97/410377597.db2.gz KZZUPXOPTCLTBO-VLEAKVRGSA-N 2 0 225.336 0.500 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000650743002 410377711 /nfs/dbraw/zinc/37/77/11/410377711.db2.gz KDIQQYGKWOERDL-KKOKHZNYSA-N 2 0 228.336 0.650 20 0 BCADRP C[C@H](C[C@H]1COCCN1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650747563 410386740 /nfs/dbraw/zinc/38/67/40/410386740.db2.gz CJUSWFGHBIDXKW-NEPJUHHUSA-N 2 0 241.379 0.472 20 0 BCADRP C[C@H]1CCNC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761726 410410529 /nfs/dbraw/zinc/41/05/29/410410529.db2.gz IQGAYQZLOFWUIV-AAEUAGOBSA-N 2 0 225.380 0.964 20 0 BCADRP C[C@H](CC(=O)N(C)C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763525 410414155 /nfs/dbraw/zinc/41/41/55/410414155.db2.gz CPYUEMRDSMBDHA-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650764298 410414213 /nfs/dbraw/zinc/41/42/13/410414213.db2.gz VLDVBSSKJDTIRM-AAEUAGOBSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000669395538 487617097 /nfs/dbraw/zinc/61/70/97/487617097.db2.gz RXGUBWMYTBVPGK-GHMZBOCLSA-N 2 0 242.367 0.365 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000051889655 410571544 /nfs/dbraw/zinc/57/15/44/410571544.db2.gz VMJZSLBVWPFGAO-LLVKDONJSA-N 2 0 209.337 0.376 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000653274637 410554686 /nfs/dbraw/zinc/55/46/86/410554686.db2.gz LEYJVRGTTUISLI-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655459554 410554824 /nfs/dbraw/zinc/55/48/24/410554824.db2.gz LSKCERVVEFKVFX-MDZLAQPJSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)CC[NH+]1CCCCC1 ZINC000653274889 410555779 /nfs/dbraw/zinc/55/57/79/410555779.db2.gz RKJSMRZSWGEOLH-LLVKDONJSA-N 2 0 227.352 0.668 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655479591 410715063 /nfs/dbraw/zinc/71/50/63/410715063.db2.gz FEEDGQZBQHPVFY-GWCFXTLKSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H](NCC12CC(C1)C[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000665280040 410755517 /nfs/dbraw/zinc/75/55/17/410755517.db2.gz RLMPQLJUTNTFGT-VOBJUBJWSA-N 2 0 209.337 0.469 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665280247 410755727 /nfs/dbraw/zinc/75/57/27/410755727.db2.gz WRBAENYPGHTILJ-UZEXVOJHSA-N 2 0 209.337 0.326 20 0 BCADRP O=C(CC[NH2+]C1CC1)NCCC1CC[NH2+]CC1 ZINC000655485054 410763090 /nfs/dbraw/zinc/76/30/90/410763090.db2.gz AKLSLNNKAWMKCZ-UHFFFAOYSA-N 2 0 239.363 0.634 20 0 BCADRP CC(C)[C@H]([NH3+])CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000665283416 410764548 /nfs/dbraw/zinc/76/45/48/410764548.db2.gz NHGNUIFFWDIRIG-UTUOFQBUSA-N 2 0 213.369 0.947 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000655489645 410797906 /nfs/dbraw/zinc/79/79/06/410797906.db2.gz XTFYDLGDOSOLJL-AOOOYVTPSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489378 410798308 /nfs/dbraw/zinc/79/83/08/410798308.db2.gz PLVSRMKTAPQWKA-NNYUYHANSA-N 2 0 239.363 0.441 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489381 410798743 /nfs/dbraw/zinc/79/87/43/410798743.db2.gz PLVSRMKTAPQWKA-YFKTTZPYSA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655488822 410800911 /nfs/dbraw/zinc/80/09/11/410800911.db2.gz GQAKYZLKINESJY-GRYCIOLGSA-N 2 0 241.379 0.816 20 0 BCADRP CC[NH+](CC)CCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042165654 169773690 /nfs/dbraw/zinc/77/36/90/169773690.db2.gz UTYLBFXVFOQCSC-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000309313163 410822320 /nfs/dbraw/zinc/82/23/20/410822320.db2.gz XVDKZWDHUQMSHZ-SECBINFHSA-N 2 0 213.325 0.454 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396460134 410886774 /nfs/dbraw/zinc/88/67/74/410886774.db2.gz MEMYSBPDXQQOKJ-CMPLNLGQSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H](NC(=O)C[NH2+]C1CC1)C1CC[NH+](C)CC1 ZINC000396440639 410881442 /nfs/dbraw/zinc/88/14/42/410881442.db2.gz TXUBKHDIVAYOPJ-SNVBAGLBSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](NC(=O)C1([NH3+])CCC1)C1CC[NH+](C)CC1 ZINC000396432606 410881779 /nfs/dbraw/zinc/88/17/79/410881779.db2.gz HYIKOSUQRAGKMF-SNVBAGLBSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](NC(=O)C1([NH3+])CC1)C1CC[NH+](C)CC1 ZINC000396431368 410882091 /nfs/dbraw/zinc/88/20/91/410882091.db2.gz GNFJFHOUGYVWSZ-VIFPVBQESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396447504 410883589 /nfs/dbraw/zinc/88/35/89/410883589.db2.gz FWMHYIODXCYWAC-NXEZZACHSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396454422 410884111 /nfs/dbraw/zinc/88/41/11/410884111.db2.gz IVMJZBMPKMJQRN-MNOVXSKESA-N 2 0 241.379 0.688 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000040673672 410884607 /nfs/dbraw/zinc/88/46/07/410884607.db2.gz BEZIYXRYOQMVKT-VHSXEESVSA-N 2 0 213.325 0.180 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000055086152 169778940 /nfs/dbraw/zinc/77/89/40/169778940.db2.gz UDZJFXGRGJVWHG-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)N1C[C@H]([NH2+][C@@H]2CN(C)C[C@H]2C)CC1=O ZINC000358150682 167034332 /nfs/dbraw/zinc/03/43/32/167034332.db2.gz ILZNLWLQSIZDSQ-IJLUTSLNSA-N 2 0 239.363 0.535 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037610134 167098487 /nfs/dbraw/zinc/09/84/87/167098487.db2.gz YHRGXKDFFOLXKL-NWDGAFQWSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000042409194 167103028 /nfs/dbraw/zinc/10/30/28/167103028.db2.gz KSFZDZUYEOMSSM-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000042409195 167103118 /nfs/dbraw/zinc/10/31/18/167103118.db2.gz KSFZDZUYEOMSSM-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C[NH2+]CC1CC1 ZINC000041680043 169785055 /nfs/dbraw/zinc/78/50/55/169785055.db2.gz RXKIHPBSNHOSRO-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C[NH2+]C ZINC000041680148 169786659 /nfs/dbraw/zinc/78/66/59/169786659.db2.gz DYBXGKAMMXIMPV-VIFPVBQESA-N 2 0 201.314 0.052 20 0 BCADRP C[C@H](c1ccncc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397050866 410912694 /nfs/dbraw/zinc/91/26/94/410912694.db2.gz RAZNTAZBQUTIKA-LLVKDONJSA-N 2 0 235.331 0.928 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000082642412 167341358 /nfs/dbraw/zinc/34/13/58/167341358.db2.gz NZSWRTQSYPOKAM-JTQLQIEISA-N 2 0 213.325 0.004 20 0 BCADRP CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000049308643 167372807 /nfs/dbraw/zinc/37/28/07/167372807.db2.gz BQCAJFSZOAMYSC-LLVKDONJSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000309362206 410928063 /nfs/dbraw/zinc/92/80/63/410928063.db2.gz APWHNTAVOXWLBY-GUBZILKMSA-N 2 0 213.325 0.452 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000309384765 410931118 /nfs/dbraw/zinc/93/11/18/410931118.db2.gz DWXRRDCAAJXCHJ-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP CC(C)COCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000232636463 487619557 /nfs/dbraw/zinc/61/95/57/487619557.db2.gz NVHKLDRHPBNXFG-UHFFFAOYSA-N 2 0 243.395 0.496 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)[C@H](C)[NH3+] ZINC000399658211 411054699 /nfs/dbraw/zinc/05/46/99/411054699.db2.gz OUCZUWMAPFYJRY-SRVKXCTJSA-N 2 0 241.379 0.674 20 0 BCADRP C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000651476692 411057666 /nfs/dbraw/zinc/05/76/66/411057666.db2.gz OHEUPWKMASCTDD-JLLWLGSASA-N 2 0 212.337 0.830 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)[C@H](C)[NH3+] ZINC000399692547 411059571 /nfs/dbraw/zinc/05/95/71/411059571.db2.gz YMKBNQUSGLNPRO-TUAOUCFPSA-N 2 0 241.379 0.816 20 0 BCADRP COC[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000300046075 411078651 /nfs/dbraw/zinc/07/86/51/411078651.db2.gz UDSSFFXUTSTPSU-NWDGAFQWSA-N 2 0 212.337 0.954 20 0 BCADRP NC(=O)c1c[nH+]ccc1N1CCC(CC[NH3+])CC1 ZINC000399214719 411024197 /nfs/dbraw/zinc/02/41/97/411024197.db2.gz ZEYAYHCCESICPS-UHFFFAOYSA-N 2 0 248.330 0.746 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044538959 411137422 /nfs/dbraw/zinc/13/74/22/411137422.db2.gz BAZFUDSHGWZUKR-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655970732 411164847 /nfs/dbraw/zinc/16/48/47/411164847.db2.gz KSAYMJRTDZXCIO-GARJFASQSA-N 2 0 242.367 0.363 20 0 BCADRP CC(C)[C@H]1CN(C[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000108356946 411144304 /nfs/dbraw/zinc/14/43/04/411144304.db2.gz PONGZXCDNQBPIC-VXGBXAGGSA-N 2 0 211.353 0.526 20 0 BCADRP COC[C@H](C)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000045706769 411148473 /nfs/dbraw/zinc/14/84/73/411148473.db2.gz CZCLMYYWEKXIQA-VWYCJHECSA-N 2 0 200.326 0.938 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655967788 411164003 /nfs/dbraw/zinc/16/40/03/411164003.db2.gz DQQNQQSBNCUOKE-YTWAJWBKSA-N 2 0 242.367 0.362 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H](C)[NH3+])C1 ZINC000309518456 411152850 /nfs/dbraw/zinc/15/28/50/411152850.db2.gz ZKPMRCJYERBVAY-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)CCC[NH3+] ZINC000659549757 411153636 /nfs/dbraw/zinc/15/36/36/411153636.db2.gz OZGQKIRZHFSYHB-BDAKNGLRSA-N 2 0 216.329 0.021 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000659550927 411155358 /nfs/dbraw/zinc/15/53/58/411155358.db2.gz JQNUJHWENSJNFS-GHMZBOCLSA-N 2 0 242.367 0.426 20 0 BCADRP C[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)[C@H]1C[NH3+] ZINC000309506072 411156088 /nfs/dbraw/zinc/15/60/88/411156088.db2.gz VWPCSNFVFMOQMU-WOPDTQHZSA-N 2 0 211.353 0.655 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659550968 411156132 /nfs/dbraw/zinc/15/61/32/411156132.db2.gz SMQQANJKQQUTOG-OPRDCNLKSA-N 2 0 246.330 0.195 20 0 BCADRP CN(C(=O)CC1([NH3+])CCC1)[C@H]1CC[NH2+]C1 ZINC000309507028 411156236 /nfs/dbraw/zinc/15/62/36/411156236.db2.gz WFDZKQSMQPXEEU-VIFPVBQESA-N 2 0 211.309 0.078 20 0 BCADRP C[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)[C@@H]1C[NH3+] ZINC000309506068 411156336 /nfs/dbraw/zinc/15/63/36/411156336.db2.gz VWPCSNFVFMOQMU-GRYCIOLGSA-N 2 0 211.353 0.655 20 0 BCADRP COCCN(C)C[C@H](O)C[NH+]1[C@@H](C)C[C@@H]1C ZINC000653650436 411156835 /nfs/dbraw/zinc/15/68/35/411156835.db2.gz AKMIJMGEAGZZAL-SRVKXCTJSA-N 2 0 230.352 0.408 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1CCC[NH2+]1 ZINC000309513931 411157642 /nfs/dbraw/zinc/15/76/42/411157642.db2.gz YCIKLNREJJMFGC-VHSXEESVSA-N 2 0 213.325 0.228 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH3+])C1 ZINC000069733723 411158304 /nfs/dbraw/zinc/15/83/04/411158304.db2.gz CJDCWEPOYNRMMX-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)CCCC[NH3+])CC1 ZINC000069733176 411158380 /nfs/dbraw/zinc/15/83/80/411158380.db2.gz AMEZKZFTGQILDX-UHFFFAOYSA-N 2 0 227.352 0.668 20 0 BCADRP CNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978302 411159937 /nfs/dbraw/zinc/15/99/37/411159937.db2.gz PRECWGIKYQKSBE-NEPJUHHUSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H](O)C[N@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000655949088 411161557 /nfs/dbraw/zinc/16/15/57/411161557.db2.gz MDZMOEMNMIFNIC-MNOVXSKESA-N 2 0 212.337 0.831 20 0 BCADRP COCCOCC[NH+]1CCC(C)([NH3+])CC1 ZINC000309367155 411107595 /nfs/dbraw/zinc/10/75/95/411107595.db2.gz BLDUWFYZTUYUDE-UHFFFAOYSA-N 2 0 216.325 0.463 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)CC1CCOCC1 ZINC000110909200 411121080 /nfs/dbraw/zinc/12/10/80/411121080.db2.gz VTIGKQFYVADHAI-UHFFFAOYSA-N 2 0 241.379 0.250 20 0 BCADRP [NH3+]CCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655961346 411162737 /nfs/dbraw/zinc/16/27/37/411162737.db2.gz OIZUSIJMHHNVOO-GHMZBOCLSA-N 2 0 240.351 0.261 20 0 BCADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N(C)C ZINC000401004229 411168667 /nfs/dbraw/zinc/16/86/67/411168667.db2.gz ISQLZZRJUBHXGK-FVCCEPFGSA-N 2 0 225.380 0.914 20 0 BCADRP O=C1NCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401022626 411173632 /nfs/dbraw/zinc/17/36/32/411173632.db2.gz YNWFJYYYTPFYGP-KKOKHZNYSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061645182 411174777 /nfs/dbraw/zinc/17/47/77/411174777.db2.gz UMFUALGFYCXYLX-ZJUUUORDSA-N 2 0 213.325 0.276 20 0 BCADRP Cn1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000401052345 411174840 /nfs/dbraw/zinc/17/48/40/411174840.db2.gz YXVYDJJNBLBXLW-MELADBBJSA-N 2 0 248.374 0.940 20 0 BCADRP CC(C)[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401059994 411174916 /nfs/dbraw/zinc/17/49/16/411174916.db2.gz JEENTRDGAIBSEG-YVECIDJPSA-N 2 0 226.364 0.981 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C[NH2+]CC2CC2)CC[N@@H+]1C ZINC000132955117 411177833 /nfs/dbraw/zinc/17/78/33/411177833.db2.gz IYRMOWSMMIUCEY-ZYHUDNBSSA-N 2 0 239.363 0.585 20 0 BCADRP CNC(=O)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401125925 411178388 /nfs/dbraw/zinc/17/83/88/411178388.db2.gz LASGBUNLQOLWPH-SDDRHHMPSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000659289894 411181128 /nfs/dbraw/zinc/18/11/28/411181128.db2.gz FOFDRSDHBUWQIN-CMPLNLGQSA-N 2 0 245.367 0.228 20 0 BCADRP O=C1C[C@@H]([NH2+]CCC[NH+]2CCCC2)CCCN1 ZINC000111826972 411181432 /nfs/dbraw/zinc/18/14/32/411181432.db2.gz YWQMGABDYVZWKD-LBPRGKRZSA-N 2 0 239.363 0.731 20 0 BCADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000111826533 411181550 /nfs/dbraw/zinc/18/15/50/411181550.db2.gz MQFPBBJKTIQJPY-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655515380 411182295 /nfs/dbraw/zinc/18/22/95/411182295.db2.gz ZIDVZSMHXLZVJE-ZETCQYMHSA-N 2 0 241.257 0.332 20 0 BCADRP [NH3+]CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000309618801 411185580 /nfs/dbraw/zinc/18/55/80/411185580.db2.gz OOELRSVVBNEJMK-NXEZZACHSA-N 2 0 213.325 0.502 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000309612129 411185592 /nfs/dbraw/zinc/18/55/92/411185592.db2.gz MWAPJSTYLWJNAH-LBPRGKRZSA-N 3 0 211.353 0.657 20 0 BCADRP Cn1cncc1CCC[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694545 411186105 /nfs/dbraw/zinc/18/61/05/411186105.db2.gz IZNGWFCKYXQOBG-ITGUQSILSA-N 2 0 235.331 0.523 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC(C2CC2)C1 ZINC000656152406 411187250 /nfs/dbraw/zinc/18/72/50/411187250.db2.gz BQCOMUYPIOKJQC-LBPRGKRZSA-N 2 0 212.337 0.641 20 0 BCADRP CCOC[C@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656152939 411188453 /nfs/dbraw/zinc/18/84/53/411188453.db2.gz CDWSGALDKSHGNC-GRYCIOLGSA-N 2 0 230.352 0.314 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000659291077 411191164 /nfs/dbraw/zinc/19/11/64/411191164.db2.gz NZQUMGKQHCHQIQ-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000656192626 411198379 /nfs/dbraw/zinc/19/83/79/411198379.db2.gz MEUQVAPXLNXWGU-UTUOFQBUSA-N 2 0 211.353 0.988 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000656192624 411198578 /nfs/dbraw/zinc/19/85/78/411198578.db2.gz MEUQVAPXLNXWGU-GRYCIOLGSA-N 2 0 211.353 0.988 20 0 BCADRP Cn1nnc2c1CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)C2 ZINC000656193816 411199396 /nfs/dbraw/zinc/19/93/96/411199396.db2.gz UMEJQJMFAXWYFD-GHMZBOCLSA-N 2 0 249.362 0.404 20 0 BCADRP C[C@@H](O)C[N@H+](C[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000656194178 411199488 /nfs/dbraw/zinc/19/94/88/411199488.db2.gz BSFNZJJPSPAKJV-PWSUYJOCSA-N 2 0 212.337 0.831 20 0 BCADRP CCc1nncn1CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656196787 411201564 /nfs/dbraw/zinc/20/15/64/411201564.db2.gz HIHJSKVHZZPCGL-MNOVXSKESA-N 2 0 237.351 0.700 20 0 BCADRP CC1(C)NC(=O)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656198792 411202695 /nfs/dbraw/zinc/20/26/95/411202695.db2.gz SGHRDRUAXKGZDC-VWYCJHECSA-N 2 0 239.363 0.903 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOC[C@H]2CCOC2)C1 ZINC000656197688 411203013 /nfs/dbraw/zinc/20/30/13/411203013.db2.gz XQUMIGXSMKACMC-YNEHKIRRSA-N 2 0 242.363 0.899 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC000656197819 411203068 /nfs/dbraw/zinc/20/30/68/411203068.db2.gz MIULRGYAOCHBGL-PWSUYJOCSA-N 2 0 239.363 0.905 20 0 BCADRP CC1(C)NC(=O)CC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656198790 411203108 /nfs/dbraw/zinc/20/31/08/411203108.db2.gz SGHRDRUAXKGZDC-DCAQKATOSA-N 2 0 239.363 0.903 20 0 BCADRP CC(C)N1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000656197830 411203493 /nfs/dbraw/zinc/20/34/93/411203493.db2.gz MUKUCSGUYDTGTO-SDDRHHMPSA-N 2 0 239.363 0.855 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000656200255 411204127 /nfs/dbraw/zinc/20/41/27/411204127.db2.gz KNLFDRZOKLHFKW-AEJSXWLSSA-N 2 0 237.351 0.388 20 0 BCADRP C[C@H]1CCNC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656200265 411204507 /nfs/dbraw/zinc/20/45/07/411204507.db2.gz KPDREHRSEJMFBA-RVMXOQNASA-N 2 0 225.380 0.914 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@H+](C)CC(C)(C)OC ZINC000652338553 411204748 /nfs/dbraw/zinc/20/47/48/411204748.db2.gz WCFXQKXCWCYNSC-NSHDSACASA-N 2 0 218.341 0.314 20 0 BCADRP CN(Cc1ccc2c(c1)C[NH2+]CC2)C1C[NH2+]C1 ZINC000652340717 411205403 /nfs/dbraw/zinc/20/54/03/411205403.db2.gz GQYMERRNAGLQGN-UHFFFAOYSA-N 2 0 231.343 0.736 20 0 BCADRP [NH3+]CCN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349252 411210985 /nfs/dbraw/zinc/21/09/85/411210985.db2.gz HVDDOKXVRZOAJX-SRVKXCTJSA-N 2 0 227.352 0.163 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000130362839 411212579 /nfs/dbraw/zinc/21/25/79/411212579.db2.gz RVSVTAQDUIDYCS-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]CCC[NH+]1CCC([C@H](C)CO)CC1 ZINC000652358424 411215301 /nfs/dbraw/zinc/21/53/01/411215301.db2.gz BUCJMPCEZXHPIO-LLVKDONJSA-N 2 0 214.353 0.936 20 0 BCADRP C[C@@H]([NH2+][C@H]1CCNC1=O)C1CC[NH+](C)CC1 ZINC000658052324 411219857 /nfs/dbraw/zinc/21/98/57/411219857.db2.gz BYALAOCOTZKZGD-KOLCDFICSA-N 2 0 225.336 0.195 20 0 BCADRP CO[C@](C)(CO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000655785312 411226744 /nfs/dbraw/zinc/22/67/44/411226744.db2.gz LCYKFCIEQAMUJT-TUAOUCFPSA-N 2 0 230.352 0.456 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)N(C)CCC[NH3+])C1 ZINC000659608431 411228460 /nfs/dbraw/zinc/22/84/60/411228460.db2.gz CUJHOWQTXNJNIM-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP CC1([NH3+])CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000309771503 411230778 /nfs/dbraw/zinc/23/07/78/411230778.db2.gz KPPROUCKFSHFCN-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)NC(C)(C)CC[NH3+] ZINC000659617954 411240727 /nfs/dbraw/zinc/24/07/27/411240727.db2.gz BXNNHRCMXJHTGW-SNVBAGLBSA-N 2 0 244.383 0.786 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000309409475 411241982 /nfs/dbraw/zinc/24/19/82/411241982.db2.gz IKJYCTXVZFAWPR-GUBZILKMSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655971230 411165391 /nfs/dbraw/zinc/16/53/91/411165391.db2.gz XLATXOLVIKKHQJ-MXWKQRLJSA-N 2 0 242.367 0.315 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C)(C)C[NH3+])C1 ZINC000655971045 411165570 /nfs/dbraw/zinc/16/55/70/411165570.db2.gz QQMHFSQYQMFSRP-AOOOYVTPSA-N 2 0 242.367 0.363 20 0 BCADRP C1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CO1 ZINC000400904769 411165633 /nfs/dbraw/zinc/16/56/33/411165633.db2.gz ADJWNNOYCBIPDE-QCNOEVLYSA-N 2 0 210.321 0.753 20 0 BCADRP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400946377 411165722 /nfs/dbraw/zinc/16/57/22/411165722.db2.gz CYOWSSZCPBANIB-FIQHERPVSA-N 2 0 239.363 0.489 20 0 BCADRP [NH3+]CCCCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000309537528 411165845 /nfs/dbraw/zinc/16/58/45/411165845.db2.gz FTHLJZAFHYPUDP-UWVGGRQHSA-N 2 0 213.325 0.502 20 0 BCADRP [NH3+]CCCCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000309537529 411165878 /nfs/dbraw/zinc/16/58/78/411165878.db2.gz FTHLJZAFHYPUDP-VHSXEESVSA-N 2 0 213.325 0.502 20 0 BCADRP CCOC(=O)CC1([NH2+]CCC[NH3+])CCOCC1 ZINC000596111650 411165882 /nfs/dbraw/zinc/16/58/82/411165882.db2.gz ZQHXMZHVEFOBAC-UHFFFAOYSA-N 2 0 244.335 0.427 20 0 BCADRP Cn1cnc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000400956627 411166448 /nfs/dbraw/zinc/16/64/48/411166448.db2.gz YVXIOHQQDOCLKX-YNEHKIRRSA-N 2 0 248.374 0.940 20 0 BCADRP CCN(C)C(=O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400956447 411166733 /nfs/dbraw/zinc/16/67/33/411166733.db2.gz HKFQWISIQLFOAO-QJPTWQEYSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(N)=O ZINC000400966998 411166740 /nfs/dbraw/zinc/16/67/40/411166740.db2.gz KYHZEDYNQYGZSF-OUAUKWLOSA-N 2 0 239.363 0.476 20 0 BCADRP CC[C@@](C)([NH3+])c1cn(C2CC[NH2+]CC2)nn1 ZINC000656457500 411266897 /nfs/dbraw/zinc/26/68/97/411266897.db2.gz XHLOWRJKVBRWQP-LLVKDONJSA-N 2 0 223.324 0.787 20 0 BCADRP C[C@@H](C[NH3+])n1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000656458026 411267654 /nfs/dbraw/zinc/26/76/54/411267654.db2.gz KCXMWFJTYANQJB-VHSXEESVSA-N 2 0 223.324 0.340 20 0 BCADRP C[C@H](C[NH3+])n1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000656458027 411267770 /nfs/dbraw/zinc/26/77/70/411267770.db2.gz KCXMWFJTYANQJB-ZJUUUORDSA-N 2 0 223.324 0.340 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)C[NH2+]C ZINC000659641226 411275526 /nfs/dbraw/zinc/27/55/26/411275526.db2.gz FHDXLIVBUBHCBJ-GHMZBOCLSA-N 2 0 242.367 0.378 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000659642116 411277276 /nfs/dbraw/zinc/27/72/76/411277276.db2.gz JJNJNTYFVZTHRI-NXEZZACHSA-N 2 0 242.367 0.363 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)C[NH2+]C ZINC000659642455 411277407 /nfs/dbraw/zinc/27/74/07/411277407.db2.gz KOVQFQPUKLEUSO-GHMZBOCLSA-N 2 0 242.367 0.330 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000659642187 411277639 /nfs/dbraw/zinc/27/76/39/411277639.db2.gz JTASSOOJHGNRTL-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP CC(C)[C@@H]([NH3+])c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656466224 411277941 /nfs/dbraw/zinc/27/79/41/411277941.db2.gz AHVKRGNYPFLSDB-MWLCHTKSSA-N 2 0 223.324 0.858 20 0 BCADRP CC(C)[C@H]([NH3+])c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656466223 411278090 /nfs/dbraw/zinc/27/80/90/411278090.db2.gz AHVKRGNYPFLSDB-KOLCDFICSA-N 2 0 223.324 0.858 20 0 BCADRP COC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226328074 411278484 /nfs/dbraw/zinc/27/84/84/411278484.db2.gz MCIHDRVYIHVLPG-UWVGGRQHSA-N 2 0 214.309 0.609 20 0 BCADRP CC(C)[C@H]([NH3+])c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656466225 411278615 /nfs/dbraw/zinc/27/86/15/411278615.db2.gz AHVKRGNYPFLSDB-ONGXEEELSA-N 2 0 223.324 0.858 20 0 BCADRP CC[C@@H]([NH3+])c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656467355 411279423 /nfs/dbraw/zinc/27/94/23/411279423.db2.gz OQOWWJQLJKSPBM-DTWKUNHWSA-N 2 0 209.297 0.612 20 0 BCADRP [NH3+][C@H](c1cn([C@H]2CC[NH2+]C2)nn1)c1ccccc1 ZINC000656468342 411280464 /nfs/dbraw/zinc/28/04/64/411280464.db2.gz LLVKCWHTBZZIGB-AAEUAGOBSA-N 2 0 243.314 0.861 20 0 BCADRP c1c(C[C@H]2CCC[NH2+]C2)nnn1[C@H]1CC[NH2+]C1 ZINC000656468735 411280559 /nfs/dbraw/zinc/28/05/59/411280559.db2.gz RGMDBXGNQSPISU-PWSUYJOCSA-N 2 0 235.335 0.355 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000051694739 411281450 /nfs/dbraw/zinc/28/14/50/411281450.db2.gz IXFWROWVOJYZIE-ILDUYXDCSA-N 2 0 227.352 0.746 20 0 BCADRP C(C1CC1)[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000051889659 411285379 /nfs/dbraw/zinc/28/53/79/411285379.db2.gz IDBQOCVDWHVUBQ-CYBMUJFWSA-N 2 0 223.364 0.624 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000051889657 411286021 /nfs/dbraw/zinc/28/60/21/411286021.db2.gz VMJZSLBVWPFGAO-NSHDSACASA-N 2 0 209.337 0.376 20 0 BCADRP CC1(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C[NH2+]C1 ZINC000335029141 167874432 /nfs/dbraw/zinc/87/44/32/167874432.db2.gz XMXRSUDQLVVKEU-UHFFFAOYSA-N 2 0 231.299 0.838 20 0 BCADRP CCCN(C(=O)N[C@@H](C)C[NH2+]C)[C@@H]1CC[NH2+]C1 ZINC000659643288 411293641 /nfs/dbraw/zinc/29/36/41/411293641.db2.gz PWAFFXBATJHGAD-WDEREUQCSA-N 2 0 242.367 0.378 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000659643806 411294999 /nfs/dbraw/zinc/29/49/99/411294999.db2.gz UNTVOTSRZLMALX-GHMZBOCLSA-N 2 0 244.383 0.609 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000659303701 411296414 /nfs/dbraw/zinc/29/64/14/411296414.db2.gz VBCOAHZBUBTSNY-UWVGGRQHSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000659645636 411299344 /nfs/dbraw/zinc/29/93/44/411299344.db2.gz KLZSCQQPTWLYMF-MNOVXSKESA-N 2 0 242.367 0.330 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629558991 411324414 /nfs/dbraw/zinc/32/44/14/411324414.db2.gz BSKDXALCLPVHSQ-CHWSQXEVSA-N 2 0 241.379 0.127 20 0 BCADRP C[N@@H+]1CCC[C@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000629558998 411324469 /nfs/dbraw/zinc/32/44/69/411324469.db2.gz BSKDXALCLPVHSQ-STQMWFEESA-N 2 0 241.379 0.127 20 0 BCADRP C[C@@]1(CN2CCC(C)([NH3+])CC2)CC[NH2+]C1 ZINC000309801092 411252642 /nfs/dbraw/zinc/25/26/42/411252642.db2.gz REENICHRTOPTSJ-LLVKDONJSA-N 2 0 211.353 0.799 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000653444716 411256051 /nfs/dbraw/zinc/25/60/51/411256051.db2.gz BILBAPYSSKQGGM-UTUOFQBUSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000653444817 411256172 /nfs/dbraw/zinc/25/61/72/411256172.db2.gz PXMGLVMRRWRTLC-UTLUCORTSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653444480 411256635 /nfs/dbraw/zinc/25/66/35/411256635.db2.gz GHNJCTBYENZENN-FIQHERPVSA-N 2 0 239.363 0.842 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C/C=C\CO)[C@@H](C)C1 ZINC000658135610 411260723 /nfs/dbraw/zinc/26/07/23/411260723.db2.gz UHAWPVWOXSSODP-DFPOMNKCSA-N 2 0 212.337 0.855 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217432304 411373434 /nfs/dbraw/zinc/37/34/34/411373434.db2.gz IXIHMSBWESZINM-QWRGUYRKSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@]1(CNCC2([NH3+])CCCC2)CC[NH2+]C1 ZINC000656789163 411369397 /nfs/dbraw/zinc/36/93/97/411369397.db2.gz KSZXNMWRMZDIMS-NSHDSACASA-N 2 0 211.353 0.847 20 0 BCADRP C[C@@]12COC[C@@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000656791687 411370420 /nfs/dbraw/zinc/37/04/20/411370420.db2.gz IYGGKPWJSGSTBD-QWHCGFSZSA-N 2 0 224.348 0.954 20 0 BCADRP C[C@H]1C[NH2+]C[C@@H](NCC2([NH3+])CCCC2)C1 ZINC000656789770 411370589 /nfs/dbraw/zinc/37/05/89/411370589.db2.gz XVTHVVPLOWTSPE-MNOVXSKESA-N 2 0 211.353 0.846 20 0 BCADRP C[C@@H](CC(=O)N(C)C)[NH2+]CC1([NH3+])CCCC1 ZINC000656789688 411370813 /nfs/dbraw/zinc/37/08/13/411370813.db2.gz VMCMUGWRJMPCRC-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP C[C@]12COC[C@@H]1C[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000656790897 411370911 /nfs/dbraw/zinc/37/09/11/411370911.db2.gz CGXWJBMYLJETTH-AGIUHOORSA-N 2 0 224.348 0.954 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@H](C)[NH3+])C1 ZINC000062972799 411334410 /nfs/dbraw/zinc/33/44/10/411334410.db2.gz BSTOOFSYWNNGAX-WDEREUQCSA-N 2 0 227.352 0.666 20 0 BCADRP CN(C[C@H](O)C[NH2+]CCc1ccoc1)C1CC1 ZINC000656714636 411337927 /nfs/dbraw/zinc/33/79/27/411337927.db2.gz QHYHUNGLDHGDJZ-CYBMUJFWSA-N 2 0 238.331 0.867 20 0 BCADRP C[C@@H]1C[C@@H](C[N@H+]2CCC(=O)N(C)CC2)CC[NH2+]1 ZINC000656792169 411372369 /nfs/dbraw/zinc/37/23/69/411372369.db2.gz OWDUBPXHSPHORS-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP CC1(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC000193362822 168059176 /nfs/dbraw/zinc/05/91/76/168059176.db2.gz YOAKOVRWTRQOOF-WDEREUQCSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000659247747 411381288 /nfs/dbraw/zinc/38/12/88/411381288.db2.gz CHIYPOPXCMILOX-SNVBAGLBSA-N 2 0 237.347 0.598 20 0 BCADRP CC1CC[NH+](CCCCNC(N)=[NH2+])CC1 ZINC000303262088 168179053 /nfs/dbraw/zinc/17/90/53/168179053.db2.gz PKMZJGBKHVNDBL-UHFFFAOYSA-N 2 0 212.341 0.982 20 0 BCADRP CC1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000050464561 168180196 /nfs/dbraw/zinc/18/01/96/168180196.db2.gz ONEPBKKOKYJLTQ-MNOVXSKESA-N 2 0 225.336 0.182 20 0 BCADRP CC1CC[NH+](CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000040772510 168181905 /nfs/dbraw/zinc/18/19/05/168181905.db2.gz GDFWGXCVIJBEBP-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1CCC[N@H+](CCC(=O)N(C)C)[C@H]1CC[NH3+] ZINC000404287051 411388606 /nfs/dbraw/zinc/38/86/06/411388606.db2.gz INJNLMXMRQCMAQ-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH+]2CCCC2)C1 ZINC000654407810 411390733 /nfs/dbraw/zinc/39/07/33/411390733.db2.gz UNKSTXJVJZGIHC-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP CC(C)[NH2+]CC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000659303751 411391288 /nfs/dbraw/zinc/39/12/88/411391288.db2.gz VEESEUHMWTZPPN-UHFFFAOYSA-N 2 0 248.330 0.664 20 0 BCADRP CCC(C)(C)NC(=O)[C@@H](C)N1CC[C@H](C[NH3+])C1 ZINC000050249239 168293927 /nfs/dbraw/zinc/29/39/27/168293927.db2.gz WFILDPGXIYGOCM-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CCC[NH2+]CC1 ZINC000069633634 411457960 /nfs/dbraw/zinc/45/79/60/411457960.db2.gz UTPXFNGTLLKUIY-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000659324210 411394653 /nfs/dbraw/zinc/39/46/53/411394653.db2.gz GTCASFCQZPLVSK-GFCCVEGCSA-N 2 0 247.342 0.901 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000309446302 411397100 /nfs/dbraw/zinc/39/71/00/411397100.db2.gz LLMMNHHTCLVQGW-DTWKUNHWSA-N 2 0 213.325 0.310 20 0 BCADRP c1ncn(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000336692263 411400688 /nfs/dbraw/zinc/40/06/88/411400688.db2.gz HNICZKBJVWECNU-RYUDHWBXSA-N 2 0 235.335 0.495 20 0 BCADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ncnn1C ZINC000647795790 411401234 /nfs/dbraw/zinc/40/12/34/411401234.db2.gz WDNLUYIYVNEHOW-WHOHXGKFSA-N 2 0 249.362 0.854 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000653044040 411401362 /nfs/dbraw/zinc/40/13/62/411401362.db2.gz PBXCWLBLVFSNKZ-IJLUTSLNSA-N 2 0 237.347 0.337 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000653043549 411401457 /nfs/dbraw/zinc/40/14/57/411401457.db2.gz ATTIWVJXZCLQJC-MXWKQRLJSA-N 2 0 223.320 0.077 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000653043877 411402021 /nfs/dbraw/zinc/40/20/21/411402021.db2.gz HHUIVGXCYPTNRA-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653044834 411402680 /nfs/dbraw/zinc/40/26/80/411402680.db2.gz DQHOXDVSTMSLER-NSHDSACASA-N 2 0 227.352 0.492 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000653046118 411402689 /nfs/dbraw/zinc/40/26/89/411402689.db2.gz IHQVYFYMVAUTQJ-SDDRHHMPSA-N 2 0 239.363 0.620 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653048230 411404120 /nfs/dbraw/zinc/40/41/20/411404120.db2.gz QNNSRGIVDKNPSH-SNVBAGLBSA-N 2 0 213.325 0.102 20 0 BCADRP O=C(NCC[NH2+]C1CC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653048220 411404352 /nfs/dbraw/zinc/40/43/52/411404352.db2.gz QKPGNDDBRRAFIS-NEPJUHHUSA-N 2 0 237.347 0.385 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000653050577 411404903 /nfs/dbraw/zinc/40/49/03/411404903.db2.gz CEXRWCMCDBBNPI-ZWNOBZJWSA-N 2 0 239.363 0.620 20 0 BCADRP CN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@@H]1CC[NH2+]C1 ZINC000653049993 411405270 /nfs/dbraw/zinc/40/52/70/411405270.db2.gz ZZVNQMFPBJTYPH-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000653053561 411406211 /nfs/dbraw/zinc/40/62/11/411406211.db2.gz RMKHHNQADMGDCU-WDEREUQCSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]1CCCN(C(=O)CC[NH3+])[C@@H]1CCC[NH3+] ZINC000659375966 411406302 /nfs/dbraw/zinc/40/63/02/411406302.db2.gz IMJDGWXOAHMNIR-GHMZBOCLSA-N 2 0 227.352 0.701 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659378605 411406559 /nfs/dbraw/zinc/40/65/59/411406559.db2.gz JJTOBBVFOCVSJS-WYUUTHIRSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653054666 411407372 /nfs/dbraw/zinc/40/73/72/411407372.db2.gz ILSSXJFKMSHWKS-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000659388853 411410024 /nfs/dbraw/zinc/41/00/24/411410024.db2.gz NCOBCADDYOTSBF-KKZNHRDASA-N 2 0 229.299 0.026 20 0 BCADRP CC[NH+](CC)CCNC(=O)N[C@H](C)C[NH2+]C ZINC000659424344 411412832 /nfs/dbraw/zinc/41/28/32/411412832.db2.gz SHSXWMPQONWLMT-SNVBAGLBSA-N 2 0 230.356 0.235 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659456776 411417221 /nfs/dbraw/zinc/41/72/21/411417221.db2.gz SFSIYPAFPMCLNH-NXEZZACHSA-N 2 0 240.351 0.130 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[NH2+]CC1 ZINC000405137835 411418952 /nfs/dbraw/zinc/41/89/52/411418952.db2.gz CBQRWUDUWSKLLN-WDEREUQCSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])[NH+](C)C ZINC000659502335 411423367 /nfs/dbraw/zinc/42/33/67/411423367.db2.gz WFGQEJMUGFWQKK-VIFPVBQESA-N 2 0 230.356 0.315 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN(C)C[C@@H](O)C1CC1 ZINC000653566730 411423693 /nfs/dbraw/zinc/42/36/93/411423693.db2.gz HMGLUCFNGJQXNG-NWDGAFQWSA-N 2 0 230.352 0.002 20 0 BCADRP CC[NH2+]CCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659506249 411424325 /nfs/dbraw/zinc/42/43/25/411424325.db2.gz ZPRQEUBACLCSFJ-UHFFFAOYSA-N 2 0 240.351 0.037 20 0 BCADRP C[NH+](C)CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654662602 411425311 /nfs/dbraw/zinc/42/53/11/411425311.db2.gz VSYXJSPTPHQLDE-PHIMTYICSA-N 2 0 242.367 0.187 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH2+]CC)C1 ZINC000659515458 411426004 /nfs/dbraw/zinc/42/60/04/411426004.db2.gz UJDHXQOTHHVWMT-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659516198 411426092 /nfs/dbraw/zinc/42/60/92/411426092.db2.gz GUDDKXRCKBSOPU-YZRBJQDESA-N 2 0 240.351 0.021 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NC1CCC([NH3+])CC1 ZINC000659515607 411426517 /nfs/dbraw/zinc/42/65/17/411426517.db2.gz CJWCAMIJNCFAQD-IDKOKCKLSA-N 2 0 228.340 0.163 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@H](C)C[NH2+]C ZINC000659525277 411428378 /nfs/dbraw/zinc/42/83/78/411428378.db2.gz YIEMFYVIZNZDIG-ZJUUUORDSA-N 2 0 230.356 0.411 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000659526990 411429032 /nfs/dbraw/zinc/42/90/32/411429032.db2.gz GSWMJEWJUZWXHJ-GHMZBOCLSA-N 2 0 242.367 0.396 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)NCC1([NH3+])CCCC1 ZINC000659530420 411429867 /nfs/dbraw/zinc/42/98/67/411429867.db2.gz RQLOVYXKFSLUKB-SECBINFHSA-N 2 0 228.340 0.294 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659540212 411431842 /nfs/dbraw/zinc/43/18/42/411431842.db2.gz UBUFWYKYOSDWLA-GRZMOONWSA-N 2 0 240.351 0.036 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000659544575 411433218 /nfs/dbraw/zinc/43/32/18/411433218.db2.gz CUFNICRHQWDAJC-VHSXEESVSA-N 2 0 230.356 0.411 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NCCC1(C[NH3+])CC1 ZINC000659558654 411435948 /nfs/dbraw/zinc/43/59/48/411435948.db2.gz AXDUPWZFGVDPJC-UHFFFAOYSA-N 2 0 242.367 0.494 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC1([NH3+])CCCC1 ZINC000659557483 411436201 /nfs/dbraw/zinc/43/62/01/411436201.db2.gz YLSRHEVCGVYZBW-NXEZZACHSA-N 2 0 242.367 0.683 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OC)CC1 ZINC000653612976 411439871 /nfs/dbraw/zinc/43/98/71/411439871.db2.gz OWGLBWCESCFOLD-QWHCGFSZSA-N 2 0 244.379 0.800 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000070619154 411440752 /nfs/dbraw/zinc/44/07/52/411440752.db2.gz NXJLMNLODVGMPL-PWSUYJOCSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@]1(C(=O)NC2CCC([NH3+])CC2)CCC[NH2+]1 ZINC000070619255 411441339 /nfs/dbraw/zinc/44/13/39/411441339.db2.gz JIOWMMIZQDRFSA-RTYFJBAXSA-N 2 0 225.336 0.515 20 0 BCADRP CCO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1C[NH3+] ZINC000405836128 411442251 /nfs/dbraw/zinc/44/22/51/411442251.db2.gz CPIRZLKZGHWYMD-IJLUTSLNSA-N 2 0 228.336 0.319 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)C1 ZINC000659619063 411442569 /nfs/dbraw/zinc/44/25/69/411442569.db2.gz MAFHDKJJNGRKQA-GHMZBOCLSA-N 2 0 242.367 0.363 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000659617918 411442596 /nfs/dbraw/zinc/44/25/96/411442596.db2.gz AVSTUTRUIVQZHJ-VHSXEESVSA-N 2 0 230.356 0.348 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+](C(C)C)CC1 ZINC000659638618 411442622 /nfs/dbraw/zinc/44/26/22/411442622.db2.gz KXFQWAVKADXYLC-LLVKDONJSA-N 2 0 242.367 0.330 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000659619677 411442695 /nfs/dbraw/zinc/44/26/95/411442695.db2.gz RBEHBOYINFULJD-GHMZBOCLSA-N 2 0 242.367 0.493 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](C)C[NH2+]C ZINC000418401321 411449437 /nfs/dbraw/zinc/44/94/37/411449437.db2.gz YPNKFKAKXOAJIS-WDEREUQCSA-N 2 0 244.383 0.659 20 0 BCADRP CC[NH2+]CCNC(=O)NCC1([NH3+])CCCC1 ZINC000659514068 411466909 /nfs/dbraw/zinc/46/69/09/411466909.db2.gz CLDQRJLVMGEJMD-UHFFFAOYSA-N 2 0 228.340 0.167 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000659516177 411470053 /nfs/dbraw/zinc/47/00/53/411470053.db2.gz FXNPHYPNYZUXFB-GHMZBOCLSA-N 2 0 244.383 0.642 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000659516892 411471214 /nfs/dbraw/zinc/47/12/14/411471214.db2.gz UYXFCQHIPWCKOD-VHSXEESVSA-N 2 0 228.340 0.021 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@H](C)C[NH2+]C ZINC000659522288 411479057 /nfs/dbraw/zinc/47/90/57/411479057.db2.gz JYPLONKMXIGAPO-SECBINFHSA-N 2 0 230.356 0.411 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407322070 411479725 /nfs/dbraw/zinc/47/97/25/411479725.db2.gz JVUKWSIVBOPGJK-WDEREUQCSA-N 2 0 225.336 0.195 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)NCC1([NH3+])CCC1 ZINC000659529360 411486650 /nfs/dbraw/zinc/48/66/50/411486650.db2.gz JRNRJEZFTASSKY-UHFFFAOYSA-N 2 0 238.335 0.001 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000659534200 411496761 /nfs/dbraw/zinc/49/67/61/411496761.db2.gz AVLUDOCDQKJYQM-ZJUUUORDSA-N 2 0 228.340 0.036 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000309466535 411496816 /nfs/dbraw/zinc/49/68/16/411496816.db2.gz QAIAXTOQFJXPCQ-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)NC[C@H]1CCCC[NH2+]1 ZINC000127629674 411498159 /nfs/dbraw/zinc/49/81/59/411498159.db2.gz FNOCGBWKYZUDEE-GHMZBOCLSA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+][C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000127647655 411499423 /nfs/dbraw/zinc/49/94/23/411499423.db2.gz BIDZBRYNWLVKAW-WCQYABFASA-N 2 0 247.342 0.802 20 0 BCADRP [NH3+]CC1(NC(=O)C[C@@H]2CC[NH2+]C2)CCCC1 ZINC000127654452 411499929 /nfs/dbraw/zinc/49/99/29/411499929.db2.gz HJHVVYHOIUPUCI-JTQLQIEISA-N 2 0 225.336 0.374 20 0 BCADRP COC[C@H](C[N@H+](C)C[C@H]1CCC[NH+](C)C1)OC ZINC000659947059 411507190 /nfs/dbraw/zinc/50/71/90/411507190.db2.gz JNUUQPXCHKVTJB-STQMWFEESA-N 2 0 244.379 0.921 20 0 BCADRP CC[C@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)CO1 ZINC000657437853 411510672 /nfs/dbraw/zinc/51/06/72/411510672.db2.gz LZTGIXDDXQGFPP-NEPJUHHUSA-N 2 0 230.352 0.722 20 0 BCADRP C[NH2+]CC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638873078 411511765 /nfs/dbraw/zinc/51/17/65/411511765.db2.gz CBTIEZONFHBZLY-LBPRGKRZSA-N 2 0 235.331 0.282 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)NC/C=C/C[NH3+])C1 ZINC000659544197 411512351 /nfs/dbraw/zinc/51/23/51/411512351.db2.gz QYVQZXZWNALZMO-UFFNRZRYSA-N 2 0 240.351 0.285 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]([NH3+])CC)C1 ZINC000659547117 411517248 /nfs/dbraw/zinc/51/72/48/411517248.db2.gz AUTZHMRIFXFOFZ-WDEREUQCSA-N 2 0 242.367 0.507 20 0 BCADRP CCN(CC[NH2+][C@H]1CCCNC(=O)C1)C1CC1 ZINC000217945225 411519502 /nfs/dbraw/zinc/51/95/02/411519502.db2.gz MBTXXVUUWAFIKE-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000655824777 411526564 /nfs/dbraw/zinc/52/65/64/411526564.db2.gz PKHBRRIVCRIAHV-PHIMTYICSA-N 2 0 212.337 0.953 20 0 BCADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3c[nH]nn3)CC[C@@H]21 ZINC000660012800 411527626 /nfs/dbraw/zinc/52/76/26/411527626.db2.gz UPQDYUNEHARQQF-YPMHNXCESA-N 2 0 249.362 0.763 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC000107895347 170005777 /nfs/dbraw/zinc/00/57/77/170005777.db2.gz BFPXIUNGBSCZAX-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)CC[NH2+]C)C1 ZINC000043604466 170006082 /nfs/dbraw/zinc/00/60/82/170006082.db2.gz DRJDPMBJHMXCAH-JTQLQIEISA-N 2 0 213.325 0.054 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)NC)C[C@@H]1C ZINC000354210333 170018848 /nfs/dbraw/zinc/01/88/48/170018848.db2.gz SJSDPWWKIKVJNN-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000335150593 170019129 /nfs/dbraw/zinc/01/91/29/170019129.db2.gz OEUYKNPUPCSGPY-WDEREUQCSA-N 2 0 225.336 0.291 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2COCCO2)[C@@H](C)C1 ZINC000358224507 170021236 /nfs/dbraw/zinc/02/12/36/170021236.db2.gz QXQUBJFMKFFZSZ-AVGNSLFASA-N 2 0 242.363 0.722 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(C)C2)[C@H](C)C1 ZINC000358085615 170021805 /nfs/dbraw/zinc/02/18/05/170021805.db2.gz NTHMCWPTDSBWTI-WOPDTQHZSA-N 2 0 239.363 0.537 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(N)=O)[C@@H](C)C1 ZINC000309910795 170022004 /nfs/dbraw/zinc/02/20/04/170022004.db2.gz MRXNRUVLSHJQLF-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(C)C2)[C@@H](C)C1 ZINC000358085527 170022225 /nfs/dbraw/zinc/02/22/25/170022225.db2.gz NTHMCWPTDSBWTI-SRVKXCTJSA-N 2 0 239.363 0.537 20 0 BCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH3+] ZINC000236848631 170024726 /nfs/dbraw/zinc/02/47/26/170024726.db2.gz NUKYWWHKAQYZBZ-ZJUUUORDSA-N 2 0 211.309 0.030 20 0 BCADRP CCNC(=O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000377267892 170049733 /nfs/dbraw/zinc/04/97/33/170049733.db2.gz QYOUSKRVDMSDRP-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CCNC(=O)C[N@H+](CC)CC[C@H]1CCC[NH2+]C1 ZINC000051919231 170056333 /nfs/dbraw/zinc/05/63/33/170056333.db2.gz RTBAJZBKEZPLQH-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP CCNC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357068289 170058613 /nfs/dbraw/zinc/05/86/13/170058613.db2.gz DUDWWPXUKHSZOK-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP CCNC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000082475025 170059064 /nfs/dbraw/zinc/05/90/64/170059064.db2.gz VHRDWHJVBJKBHV-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000236942977 170114428 /nfs/dbraw/zinc/11/44/28/170114428.db2.gz VUBWIWGXWYXZFF-LLVKDONJSA-N 2 0 213.325 0.244 20 0 BCADRP CC[NH2+]CCNC(=O)[C@]1(CC)CC[NH2+]C1 ZINC000309546210 170114827 /nfs/dbraw/zinc/11/48/27/170114827.db2.gz BRENFALJKMMGDH-LLVKDONJSA-N 2 0 213.325 0.102 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000358915911 170157815 /nfs/dbraw/zinc/15/78/15/170157815.db2.gz QICCLIVPDNLRBK-PWSUYJOCSA-N 2 0 227.352 0.490 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000358917520 170157896 /nfs/dbraw/zinc/15/78/96/170157896.db2.gz VDPDYGQPMWMOBM-YPMHNXCESA-N 2 0 249.358 0.843 20 0 BCADRP CCOC(=O)CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126884160 170221614 /nfs/dbraw/zinc/22/16/14/170221614.db2.gz VGPZJDHGKXOJJV-DTWKUNHWSA-N 2 0 200.282 0.219 20 0 BCADRP OC/C=C/C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657592715 411556487 /nfs/dbraw/zinc/55/64/87/411556487.db2.gz ALZXOXMCSGWKFT-HHDBNCKJSA-N 2 0 210.321 0.751 20 0 BCADRP CCOC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514586 170266664 /nfs/dbraw/zinc/26/66/64/170266664.db2.gz QTCLUCAZGWITQT-VIFPVBQESA-N 2 0 214.309 0.609 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000131597116 411571803 /nfs/dbraw/zinc/57/18/03/411571803.db2.gz JRYRYJDVWFAFBW-SNVBAGLBSA-N 2 0 213.325 0.243 20 0 BCADRP CCOCCC[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000011892059 170375101 /nfs/dbraw/zinc/37/51/01/170375101.db2.gz CWDFEWQFMASIDS-LLVKDONJSA-N 2 0 200.326 0.954 20 0 BCADRP CCOCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336680198 170375432 /nfs/dbraw/zinc/37/54/32/170375432.db2.gz IXHADOCFGBJOSQ-NEPJUHHUSA-N 2 0 212.337 0.954 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H](CO)CC1CC1 ZINC000657700211 411582770 /nfs/dbraw/zinc/58/27/70/411582770.db2.gz MSYNQMHEPQEQPU-RTXFEEFZSA-N 2 0 226.364 0.935 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+]CCCC[NH+](C)C ZINC000657858766 411612701 /nfs/dbraw/zinc/61/27/01/411612701.db2.gz KWLKKHMKOIVARI-LLVKDONJSA-N 2 0 225.340 0.598 20 0 BCADRP C[C@]1(C[NH3+])CCN(C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663495421 411668596 /nfs/dbraw/zinc/66/85/96/411668596.db2.gz XSWZDUOWDAJPTN-UTUOFQBUSA-N 2 0 209.337 0.267 20 0 BCADRP C([N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663494289 411672958 /nfs/dbraw/zinc/67/29/58/411672958.db2.gz NJAFIEPGRQASNG-CBBWQLFWSA-N 3 0 249.402 0.917 20 0 BCADRP CN(C[C@]12C[C@H]1C[NH2+]C2)C1(C[NH3+])CCC1 ZINC000663494300 411672990 /nfs/dbraw/zinc/67/29/90/411672990.db2.gz NMJZOZZYXBKCCL-WDEREUQCSA-N 2 0 209.337 0.409 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000663494279 411673041 /nfs/dbraw/zinc/67/30/41/411673041.db2.gz NHQLUCASYGAOOO-AAVRWANBSA-N 3 0 237.391 0.916 20 0 BCADRP C(N1CCC[C@]2(CC[NH2+]C2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493486 411673054 /nfs/dbraw/zinc/67/30/54/411673054.db2.gz IFIVMOQVYBUGHV-MCIONIFRSA-N 2 0 235.375 0.671 20 0 BCADRP C[C@@H](C[NH3+])N(C)Cc1nc2c(s1)C[NH2+]CC2 ZINC000663494982 411674433 /nfs/dbraw/zinc/67/44/33/411674433.db2.gz MKQXPUJZOMIKSY-QMMMGPOBSA-N 2 0 240.376 0.568 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663494709 411674919 /nfs/dbraw/zinc/67/49/19/411674919.db2.gz KQPQPELUQDWIDE-XQQFMLRXSA-N 2 0 223.364 0.527 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC[C@]12C[C@H]1C[NH2+]C2 ZINC000663498858 411680526 /nfs/dbraw/zinc/68/05/26/411680526.db2.gz URBSMIJXKUKRNY-JBLDHEPKSA-N 2 0 211.353 0.559 20 0 BCADRP [NH3+]Cc1ccc(C[NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000663498412 411681757 /nfs/dbraw/zinc/68/17/57/411681757.db2.gz SLVZFTPVRSNXMP-ZIAGYGMSSA-N 3 0 231.343 0.844 20 0 BCADRP [NH3+]C1CCC([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000663500649 411683003 /nfs/dbraw/zinc/68/30/03/411683003.db2.gz MNZGHTXAQUCYNP-UHFFFAOYSA-N 3 0 209.337 0.598 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC000663500298 411684047 /nfs/dbraw/zinc/68/40/47/411684047.db2.gz ZYMSEDFEHOJYAQ-GRYCIOLGSA-N 3 0 211.353 0.703 20 0 BCADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000663501469 411686238 /nfs/dbraw/zinc/68/62/38/411686238.db2.gz WBHMYYPYIOAYGA-ANNIKCPVSA-N 3 0 235.375 0.716 20 0 BCADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)CC(=O)N(C)C ZINC000663504138 411687656 /nfs/dbraw/zinc/68/76/56/411687656.db2.gz WPZIEQAHGGNMDR-WDEREUQCSA-N 2 0 229.368 0.816 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000663505489 411687984 /nfs/dbraw/zinc/68/79/84/411687984.db2.gz IWOJWTBCLDWRID-HBNTYKKESA-N 2 0 217.332 0.731 20 0 BCADRP CC[N@@H+]1CC[C@H](N[C@@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000663512044 411694385 /nfs/dbraw/zinc/69/43/85/411694385.db2.gz DWCPPEGRLUPPKY-SRVKXCTJSA-N 2 0 213.369 0.914 20 0 BCADRP C[C@H]1C[C@@H](C[N@@H+]2CCOC3(CNC3)C2)CC[NH2+]1 ZINC000663512204 411695886 /nfs/dbraw/zinc/69/58/86/411695886.db2.gz ZIXSLUQNCIPQTA-RYUDHWBXSA-N 2 0 239.363 0.049 20 0 BCADRP c1cn(CC[N@@H+]2CC[C@H](Cn3ccnn3)C2)cn1 ZINC000661145415 411719310 /nfs/dbraw/zinc/71/93/10/411719310.db2.gz LLZBEWFWTTWJHM-LBPRGKRZSA-N 2 0 246.318 0.497 20 0 BCADRP C[C@@H](Nc1cc(-n2cccn2)nc(N)n1)[C@H](C)[NH3+] ZINC000420260822 411891549 /nfs/dbraw/zinc/89/15/49/411891549.db2.gz JSKROVOHDCVBKA-JGVFFNPUSA-N 2 0 247.306 0.392 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[NH+](CC)CC ZINC000019430585 170793953 /nfs/dbraw/zinc/79/39/53/170793953.db2.gz TWCZDBRVXIYDJS-MNOVXSKESA-N 2 0 229.368 0.818 20 0 BCADRP C[NH+](C)C1CN(c2nc(N)[nH+]c3c2CCCC3)C1 ZINC000645200477 411910361 /nfs/dbraw/zinc/91/03/61/411910361.db2.gz AVVLFZPBKSTNTG-UHFFFAOYSA-N 2 0 247.346 0.688 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnc(N)s2)C1 ZINC000381346548 411919847 /nfs/dbraw/zinc/91/98/47/411919847.db2.gz ZDTGUNNQWOUDDW-JGVFFNPUSA-N 2 0 226.349 0.894 20 0 BCADRP C[C@H](CNc1nc(N)[nH+]c2c1CCCC2)[NH+](C)C ZINC000645139386 411920707 /nfs/dbraw/zinc/92/07/07/411920707.db2.gz LUAGQACHKREQPV-SECBINFHSA-N 2 0 249.362 0.722 20 0 BCADRP C[C@H]1CC[N@H+](Cc2ccc(N)nc2)C[C@H]1C[NH3+] ZINC000647551708 411928252 /nfs/dbraw/zinc/92/82/52/411928252.db2.gz DYWWJDMDPPSSEX-CMPLNLGQSA-N 2 0 234.347 1.081 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(N)nc1 ZINC000647546978 411930473 /nfs/dbraw/zinc/93/04/73/411930473.db2.gz JEZILARBPYWWSN-GXSJLCMTSA-N 2 0 220.320 0.751 20 0 BCADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cnc(N)s1 ZINC000580194561 411877241 /nfs/dbraw/zinc/87/72/41/411877241.db2.gz SZMTXSRVBCVHDF-ZETCQYMHSA-N 2 0 214.338 0.942 20 0 BCADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(N)nc1 ZINC000647548063 411878839 /nfs/dbraw/zinc/87/88/39/411878839.db2.gz UATYYTKKHHFJNH-VIFPVBQESA-N 2 0 208.309 0.881 20 0 BCADRP C[C@@H](Nc1nc(N)[nH+]c2c1CCCC2)[C@H](C)[NH3+] ZINC000647708224 411882539 /nfs/dbraw/zinc/88/25/39/411882539.db2.gz FHBYJHDMKMLVQU-JGVFFNPUSA-N 2 0 235.335 0.507 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccnc(N)c2)C1 ZINC000567471938 411882731 /nfs/dbraw/zinc/88/27/31/411882731.db2.gz BGIMOSNHGBPREL-KOLCDFICSA-N 2 0 220.320 0.833 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnc(N)s2)C1 ZINC000381346547 411884117 /nfs/dbraw/zinc/88/41/17/411884117.db2.gz ZDTGUNNQWOUDDW-HTQZYQBOSA-N 2 0 226.349 0.894 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000037824281 170861477 /nfs/dbraw/zinc/86/14/77/170861477.db2.gz ZFJVESJGNFMFFK-VXGBXAGGSA-N 2 0 239.363 0.811 20 0 BCADRP Nc1ncc(C[NH+]2CCC(C[NH3+])CC2)s1 ZINC000381578100 411976070 /nfs/dbraw/zinc/97/60/70/411976070.db2.gz ZDNCPPGWDQCDJK-UHFFFAOYSA-N 2 0 226.349 0.896 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000219972975 412009801 /nfs/dbraw/zinc/00/98/01/412009801.db2.gz HVGIAZIOVOLLQG-ZYHUDNBSSA-N 2 0 241.379 0.959 20 0 BCADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](C)[NH3+] ZINC000664721545 412014385 /nfs/dbraw/zinc/01/43/85/412014385.db2.gz SCDFJOFSYXDNTJ-VIFPVBQESA-N 2 0 215.341 0.570 20 0 BCADRP Nc1ncc(C[NH2+][C@H]2CCC[NH2+]CC2)s1 ZINC000647547011 411962677 /nfs/dbraw/zinc/96/26/77/411962677.db2.gz KNBYLIHEVUJTSB-QMMMGPOBSA-N 2 0 226.349 0.957 20 0 BCADRP CCN1CC[C@@H]([NH+]2CCC(C[NH3+])CC2)C1=O ZINC000662233630 412032473 /nfs/dbraw/zinc/03/24/73/412032473.db2.gz HORRSBMYEDXHKZ-LLVKDONJSA-N 2 0 225.336 0.278 20 0 BCADRP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC[NH2+]CC1 ZINC000662238798 412033960 /nfs/dbraw/zinc/03/39/60/412033960.db2.gz WQPDXWGNVAMNPG-GFCCVEGCSA-N 3 0 239.363 0.191 20 0 BCADRP C([C@@H]1C[NH2+]CCO1)N(C1CC1)C1CC[NH2+]CC1 ZINC000662234781 412034417 /nfs/dbraw/zinc/03/44/17/412034417.db2.gz MUZRURZLUJAVSU-ZDUSSCGKSA-N 2 0 239.363 0.191 20 0 BCADRP COC[C@@H](C[NH2+][C@@](C)(C[NH3+])C(C)C)OC ZINC000662248685 412036956 /nfs/dbraw/zinc/03/69/56/412036956.db2.gz AQURPOPJJQQPPK-MNOVXSKESA-N 2 0 218.341 0.611 20 0 BCADRP [NH3+][C@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662243601 412038712 /nfs/dbraw/zinc/03/87/12/412038712.db2.gz NNPRWLMHNUKKSH-ZDUSSCGKSA-N 2 0 231.343 0.865 20 0 BCADRP CCc1nnc([C@@H](C)N2CC[C@H](C[NH3+])C2)[nH]1 ZINC000662245153 412041865 /nfs/dbraw/zinc/04/18/65/412041865.db2.gz RQDUMKQZQDCGRA-RKDXNWHRSA-N 2 0 223.324 0.709 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000662246820 412042505 /nfs/dbraw/zinc/04/25/05/412042505.db2.gz SGNLQJUUPGTLEL-IUCAKERBSA-N 2 0 220.263 0.691 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC000662246411 412042583 /nfs/dbraw/zinc/04/25/83/412042583.db2.gz RTXGKQTZSMIMQP-SDDRHHMPSA-N 2 0 239.363 0.666 20 0 BCADRP COC[C@@H](C[NH+]1CCC([C@H](C)[NH3+])CC1)OC ZINC000662247203 412044821 /nfs/dbraw/zinc/04/48/21/412044821.db2.gz VIONYAKCMMVJND-CMPLNLGQSA-N 2 0 230.352 0.707 20 0 BCADRP C[N@H+](CC1CC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251902 412048309 /nfs/dbraw/zinc/04/83/09/412048309.db2.gz GMYSHVYSBBGNHE-NSHDSACASA-N 2 0 210.321 0.849 20 0 BCADRP CO[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662251541 412049169 /nfs/dbraw/zinc/04/91/69/412049169.db2.gz DXWATNYALRASBP-VXGBXAGGSA-N 2 0 240.347 0.618 20 0 BCADRP C[C@H](O)CC[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254360 412049384 /nfs/dbraw/zinc/04/93/84/412049384.db2.gz HOCGWMVMCKKYEP-WDEREUQCSA-N 2 0 228.336 0.210 20 0 BCADRP CC[C@H]1COCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252892 412050335 /nfs/dbraw/zinc/05/03/35/412050335.db2.gz RBCOLDAPXSKGOJ-RYUDHWBXSA-N 2 0 240.347 0.618 20 0 BCADRP CO[C@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255425 412051025 /nfs/dbraw/zinc/05/10/25/412051025.db2.gz PFSKCWWATUSCIN-QWRGUYRKSA-N 2 0 226.320 0.228 20 0 BCADRP CC(C)CO[C@@H]1CC[N@H+](C[C@H]2CNCCO2)C1 ZINC000662259543 412053006 /nfs/dbraw/zinc/05/30/06/412053006.db2.gz YQXOTAIRBKFNAP-CHWSQXEVSA-N 2 0 242.363 0.722 20 0 BCADRP CCCN(C[C@@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000662262971 412053084 /nfs/dbraw/zinc/05/30/84/412053084.db2.gz JHYBAJFGQQRVQS-ZDUSSCGKSA-N 3 0 241.379 0.439 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CNCCO3)C[C@H]21 ZINC000662267516 412060311 /nfs/dbraw/zinc/06/03/11/412060311.db2.gz WFLOHYKUNCFMIR-FDYHWXHSSA-N 2 0 239.363 0.034 20 0 BCADRP COC[C@H](C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)OC ZINC000662265828 412058091 /nfs/dbraw/zinc/05/80/91/412058091.db2.gz JDGOFYFVTZNIDP-RVMXOQNASA-N 2 0 242.363 0.707 20 0 BCADRP CN1CCC[C@@H]([N@@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000662272322 412064052 /nfs/dbraw/zinc/06/40/52/412064052.db2.gz DXYGLPDYHBSQGG-PWSUYJOCSA-N 2 0 225.336 0.278 20 0 BCADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@H]2CNCCO2)C1 ZINC000662273758 412064875 /nfs/dbraw/zinc/06/48/75/412064875.db2.gz ZWGJNEINKKNYRM-VXGBXAGGSA-N 2 0 227.352 0.036 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000353461021 171146080 /nfs/dbraw/zinc/14/60/80/171146080.db2.gz PVJXGFDSBJSTRT-USZNOCQGSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000353197666 171146901 /nfs/dbraw/zinc/14/69/01/171146901.db2.gz YWVSMDAZFMWSOX-QWRGUYRKSA-N 2 0 239.363 0.762 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000353130994 171147432 /nfs/dbraw/zinc/14/74/32/171147432.db2.gz PWCHKFRTSBLEPW-DCAQKATOSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C[NH3+])CC(C)C ZINC000353159892 171149375 /nfs/dbraw/zinc/14/93/75/171149375.db2.gz CWXQXJSUBMCRQK-TUAOUCFPSA-N 2 0 241.379 0.864 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000353130991 171149690 /nfs/dbraw/zinc/14/96/90/171149690.db2.gz PWCHKFRTSBLEPW-AXFHLTTASA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@]1(C(=O)N2CCC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000134364776 171194358 /nfs/dbraw/zinc/19/43/58/171194358.db2.gz ZWPWTVHDIRMIJJ-PWSUYJOCSA-N 2 0 225.336 0.468 20 0 BCADRP CC[C@@]1(C(=O)N2CCC[C@H]([NH2+]C)C2)CCC[NH2+]1 ZINC000134367204 171195765 /nfs/dbraw/zinc/19/57/65/171195765.db2.gz VGVYODOLDSUYJA-AAEUAGOBSA-N 2 0 239.363 0.729 20 0 BCADRP CC[C@@]1(C(=O)N[C@H](C)CC[NH+](C)C)CCC[NH2+]1 ZINC000121999639 171195849 /nfs/dbraw/zinc/19/58/49/171195849.db2.gz SVRQCWSTDXCWTL-YPMHNXCESA-N 2 0 241.379 0.975 20 0 BCADRP OCC1([NH2+]CC2CCCC2)CC[NH2+]CC1 ZINC000662285031 412077359 /nfs/dbraw/zinc/07/73/59/412077359.db2.gz UXHSNXQGKMVCKF-UHFFFAOYSA-N 2 0 212.337 0.881 20 0 BCADRP C[C@@H]1CCC[N@H+](C[C@H]2CNCCO2)[C@@H]1CC[NH3+] ZINC000662286631 412077599 /nfs/dbraw/zinc/07/75/99/412077599.db2.gz SMBWFADGKKPOLA-JHJVBQTASA-N 2 0 241.379 0.424 20 0 BCADRP COC[C@H](C[NH+]1CCC(CC[NH3+])CC1)OC ZINC000662284932 412077778 /nfs/dbraw/zinc/07/77/78/412077778.db2.gz RNPQMYMRTYJOFT-LBPRGKRZSA-N 2 0 230.352 0.709 20 0 BCADRP CC[C@H](C(=O)NC[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000126463529 171229106 /nfs/dbraw/zinc/22/91/06/171229106.db2.gz CBUDERRNLUKJAS-GHMZBOCLSA-N 2 0 227.352 0.395 20 0 BCADRP CC[C@H](C(=O)N[C@H](C)CC[NH+](C)C)[NH+](C)C ZINC000338964650 171232716 /nfs/dbraw/zinc/23/27/16/171232716.db2.gz QWLXXPOYHDGYIQ-GHMZBOCLSA-N 2 0 229.368 0.783 20 0 BCADRP OCC1([NH2+]CC[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000662283333 412075303 /nfs/dbraw/zinc/07/53/03/412075303.db2.gz IANQTXQUNDBSCX-NSHDSACASA-N 2 0 228.336 0.260 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)CCC[NH2+]C ZINC000226396403 171306845 /nfs/dbraw/zinc/30/68/45/171306845.db2.gz MAHYQLDDQLGGRV-NSHDSACASA-N 2 0 229.368 0.833 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000226396830 171307122 /nfs/dbraw/zinc/30/71/22/171307122.db2.gz PTMDGJNBUHZJNS-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@H](C)NC(=O)CN(C)C1CC[NH2+]CC1 ZINC000036301422 171323364 /nfs/dbraw/zinc/32/33/64/171323364.db2.gz LKZQZEDZNZFLNU-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@H](C)NC(=O)CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228988937 171325107 /nfs/dbraw/zinc/32/51/07/171325107.db2.gz NEMHTLDGFULRLU-WOPDTQHZSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@H](C)NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000019843230 171325291 /nfs/dbraw/zinc/32/52/91/171325291.db2.gz HYKAKEQEFWEIRN-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@H](C)NC(=O)CN1CC[C@H](C[NH2+]C)C1 ZINC000070799848 171325838 /nfs/dbraw/zinc/32/58/38/171325838.db2.gz BKOAZKZVKYEDJN-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361183998 171340511 /nfs/dbraw/zinc/34/05/11/171340511.db2.gz IFSBFPZPGZIWMU-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP COCCCCC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662287041 412079290 /nfs/dbraw/zinc/07/92/90/412079290.db2.gz QPNGQFGCQQHKKJ-UHFFFAOYSA-N 2 0 230.352 0.507 20 0 BCADRP [NH3+]CCN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291946 412081939 /nfs/dbraw/zinc/08/19/39/412081939.db2.gz AUUTVTWYXJKPGA-LBPRGKRZSA-N 2 0 211.353 0.657 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(C)C)CC1 ZINC000036190057 171369593 /nfs/dbraw/zinc/36/95/93/171369593.db2.gz SYVOFLNKVQHLQI-NWDGAFQWSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000309798645 171371025 /nfs/dbraw/zinc/37/10/25/171371025.db2.gz QTBBJVDEXQJTRT-LPEHRKFASA-N 2 0 215.341 0.459 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000377126991 171371590 /nfs/dbraw/zinc/37/15/90/171371590.db2.gz LVWWEKPFXDFGLK-LAVVOLMRSA-N 2 0 239.363 0.759 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185025802 171394147 /nfs/dbraw/zinc/39/41/47/171394147.db2.gz HATPCRGEDSYUKX-SVNGYHJRSA-N 2 0 239.363 0.556 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000040467844 171394412 /nfs/dbraw/zinc/39/44/12/171394412.db2.gz MIRHUBURNMQKPO-SRVKXCTJSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000375255226 171394428 /nfs/dbraw/zinc/39/44/28/171394428.db2.gz DMRBEGHKNLMXCL-SVNGYHJRSA-N 2 0 239.363 0.841 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCC[NH2+]C ZINC000083343681 171394646 /nfs/dbraw/zinc/39/46/46/171394646.db2.gz JDEVCILUNZKCID-IUCAKERBSA-N 2 0 201.314 0.086 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000662386495 412140200 /nfs/dbraw/zinc/14/02/00/412140200.db2.gz BBJPZVZGALLNLK-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@H](CO)[C@@H]1CCCC[N@@H+]1CCC[NH3+] ZINC000662301228 412086565 /nfs/dbraw/zinc/08/65/65/412086565.db2.gz PMDRXCVYXFLKDJ-MNOVXSKESA-N 2 0 200.326 0.818 20 0 BCADRP C[C@@H]1CCC[N@H+](CCOCC[NH3+])[C@@H]1CCO ZINC000662302931 412088065 /nfs/dbraw/zinc/08/80/65/412088065.db2.gz QMLUUTBUZRWVHJ-VXGBXAGGSA-N 2 0 230.352 0.445 20 0 BCADRP [NH3+]CCOCCN1C[C@H]([NH3+])CCc2ccccc21 ZINC000662302771 412088215 /nfs/dbraw/zinc/08/82/15/412088215.db2.gz OQYQUSKCWFZTDX-CYBMUJFWSA-N 2 0 249.358 0.742 20 0 BCADRP CN1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)CCC1=O ZINC000662313084 412094022 /nfs/dbraw/zinc/09/40/22/412094022.db2.gz JJMMYVCFEMSZGZ-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000662390108 412141887 /nfs/dbraw/zinc/14/18/87/412141887.db2.gz IBDKYBYFDNYUHY-SRVKXCTJSA-N 2 0 239.363 0.727 20 0 BCADRP N[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000662323116 412100050 /nfs/dbraw/zinc/10/00/50/412100050.db2.gz LCQGUXDOBUDULH-IJLUTSLNSA-N 2 0 229.343 0.747 20 0 BCADRP C[C@@H](O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321714 412100679 /nfs/dbraw/zinc/10/06/79/412100679.db2.gz CRJOGDMASSNAPS-VXGBXAGGSA-N 2 0 230.352 0.410 20 0 BCADRP C[C@H](O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321710 412100852 /nfs/dbraw/zinc/10/08/52/412100852.db2.gz CRJOGDMASSNAPS-RYUDHWBXSA-N 2 0 230.352 0.410 20 0 BCADRP O=C(NC1CC[NH2+]CC1)c1cccc2c1C[NH2+]C2 ZINC000662391378 412141916 /nfs/dbraw/zinc/14/19/16/412141916.db2.gz VRODNZZJJCZINO-UHFFFAOYSA-N 2 0 245.326 0.772 20 0 BCADRP C[C@@H](CO)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326024 412102103 /nfs/dbraw/zinc/10/21/03/412102103.db2.gz TXWYNAVTOWDUGV-OLZOCXBDSA-N 2 0 244.379 0.657 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@H+](C)C[C@@H]1CC1(C)C ZINC000662332460 412106159 /nfs/dbraw/zinc/10/61/59/412106159.db2.gz WDQNDNVLTIOYIX-JQWIXIFHSA-N 2 0 214.353 0.935 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC1CC[NH+](CC)CC1 ZINC000662364852 412125492 /nfs/dbraw/zinc/12/54/92/412125492.db2.gz LPMQWVVDJQJPEJ-NSHDSACASA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCCC[N@H+](C)CCOC ZINC000662383377 412136538 /nfs/dbraw/zinc/13/65/38/412136538.db2.gz YXFJEZDDNAERGK-NSHDSACASA-N 2 0 245.367 0.069 20 0 BCADRP [NH3+]CCCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662393772 412143107 /nfs/dbraw/zinc/14/31/07/412143107.db2.gz JPYILJOQGDNXSM-UHFFFAOYSA-N 2 0 211.309 0.113 20 0 BCADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000665236387 412177310 /nfs/dbraw/zinc/17/73/10/412177310.db2.gz LTIUUIYYBSGKCL-FIQHERPVSA-N 2 0 228.336 0.507 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000662450912 412179691 /nfs/dbraw/zinc/17/96/91/412179691.db2.gz FLZWTPUXXBEIAS-RYUDHWBXSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000662453971 412182066 /nfs/dbraw/zinc/18/20/66/412182066.db2.gz HCKPOKDXHKBQMI-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C[NH2+]C(C)C ZINC000662461699 412183268 /nfs/dbraw/zinc/18/32/68/412183268.db2.gz DRXYYYWFDWWRHG-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000662554554 412214673 /nfs/dbraw/zinc/21/46/73/412214673.db2.gz QDHUXLZIVVLHLA-JTQLQIEISA-N 2 0 213.325 0.243 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000662474102 412188163 /nfs/dbraw/zinc/18/81/63/412188163.db2.gz UCAQWJLEAIWFEK-SRVKXCTJSA-N 2 0 241.379 0.783 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000662474330 412188339 /nfs/dbraw/zinc/18/83/39/412188339.db2.gz ZAILDWFIQHJNQY-OUAUKWLOSA-N 2 0 227.352 0.535 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000662474233 412188632 /nfs/dbraw/zinc/18/86/32/412188632.db2.gz VUPQQLQWZMNQFA-VWYCJHECSA-N 2 0 227.352 0.393 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662554344 412214853 /nfs/dbraw/zinc/21/48/53/412214853.db2.gz PJUCTZZULWMGSX-BXKDBHETSA-N 2 0 233.315 0.684 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC[N@H+](C)CCCOC ZINC000662477287 412189680 /nfs/dbraw/zinc/18/96/80/412189680.db2.gz XPJXVBUGVWBDNI-NSHDSACASA-N 2 0 245.367 0.069 20 0 BCADRP CO[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665245394 412189805 /nfs/dbraw/zinc/18/98/05/412189805.db2.gz HKHBKFNIGOXOLO-MROQNXINSA-N 2 0 242.363 0.768 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NCC1([NH3+])CCCC1 ZINC000665246411 412191044 /nfs/dbraw/zinc/19/10/44/412191044.db2.gz FFCWRZVKRHZPIV-QWRGUYRKSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NCC1([NH3+])CCCC1 ZINC000665246410 412191182 /nfs/dbraw/zinc/19/11/82/412191182.db2.gz FFCWRZVKRHZPIV-MNOVXSKESA-N 2 0 211.353 0.846 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000662486456 412191419 /nfs/dbraw/zinc/19/14/19/412191419.db2.gz WKVCSTKFARXVJW-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H](CC)[NH2+]C ZINC000662555046 412215017 /nfs/dbraw/zinc/21/50/17/412215017.db2.gz YNSOJBBPNLSUKL-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)NCC1([NH3+])CCC1 ZINC000662515076 412201339 /nfs/dbraw/zinc/20/13/39/412201339.db2.gz UBRCJXISKJNDOH-NSHDSACASA-N 2 0 241.379 0.995 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662519586 412202393 /nfs/dbraw/zinc/20/23/93/412202393.db2.gz XATLMCXARRHMER-DGCLKSJQSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662517137 412202535 /nfs/dbraw/zinc/20/25/35/412202535.db2.gz ROFYSHINSHDAKM-ZDUSSCGKSA-N 2 0 247.342 0.899 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662518195 412202593 /nfs/dbraw/zinc/20/25/93/412202593.db2.gz AVSPGUKGEAQGHI-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000662520284 412203091 /nfs/dbraw/zinc/20/30/91/412203091.db2.gz HEJSPPCXPWQBJO-VWYCJHECSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000662542656 412209561 /nfs/dbraw/zinc/20/95/61/412209561.db2.gz RFYKQMPYKXCBRG-NSHDSACASA-N 2 0 227.352 0.537 20 0 BCADRP CC[C@H]1CN(C(=O)C[NH2+]C(C)C)CC[C@H]1[NH3+] ZINC000662558061 412210014 /nfs/dbraw/zinc/21/00/14/412210014.db2.gz SLOBDDSENGXWLC-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP CCCN(C(=O)C[NH2+]C(C)C)C1CC[NH2+]CC1 ZINC000662548679 412211590 /nfs/dbraw/zinc/21/15/90/412211590.db2.gz UIDKNBALZRLJDO-UHFFFAOYSA-N 2 0 241.379 0.975 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H](CC)[NH2+]C ZINC000662550774 412212778 /nfs/dbraw/zinc/21/27/78/412212778.db2.gz QCXRWBAPDYADEI-SECBINFHSA-N 2 0 201.314 0.100 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000662396267 412145647 /nfs/dbraw/zinc/14/56/47/412145647.db2.gz SVHAWFOBQOVPGC-LLVKDONJSA-N 2 0 245.326 0.506 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662395942 412146281 /nfs/dbraw/zinc/14/62/81/412146281.db2.gz MOBJCVFNCXHKCG-NSHDSACASA-N 2 0 237.347 0.481 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662398776 412147051 /nfs/dbraw/zinc/14/70/51/412147051.db2.gz BEZZYKOZYIPSJS-JTQLQIEISA-N 2 0 227.352 0.490 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000662398428 412147122 /nfs/dbraw/zinc/14/71/22/412147122.db2.gz RVFKLANAFHPZLP-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662397513 412147432 /nfs/dbraw/zinc/14/74/32/412147432.db2.gz GMSIDCWFHYEQCA-DBIOUOCHSA-N 2 0 225.336 0.452 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000662402680 412150440 /nfs/dbraw/zinc/15/04/40/412150440.db2.gz NHEBGOOQISNUPX-WDEREUQCSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H](NC(=O)CC1([NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC000662403422 412150585 /nfs/dbraw/zinc/15/05/85/412150585.db2.gz LWSGOFNACJSVNU-ZJUUUORDSA-N 2 0 225.336 0.372 20 0 BCADRP CC[NH2+]CCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662409218 412154028 /nfs/dbraw/zinc/15/40/28/412154028.db2.gz HXTYFZWBIWKJFI-UHFFFAOYSA-N 2 0 240.307 0.208 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000662408974 412154210 /nfs/dbraw/zinc/15/42/10/412154210.db2.gz BRMYJGARPUWPIQ-SNVBAGLBSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000662408973 412154639 /nfs/dbraw/zinc/15/46/39/412154639.db2.gz BRMYJGARPUWPIQ-JTQLQIEISA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000662410556 412154925 /nfs/dbraw/zinc/15/49/25/412154925.db2.gz SHVIIBQBQLUXIX-GXSJLCMTSA-N 2 0 225.336 0.337 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662410694 412155433 /nfs/dbraw/zinc/15/54/33/412155433.db2.gz VCFDIIOZDHOPQH-NSHDSACASA-N 2 0 241.379 0.879 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000662411825 412155495 /nfs/dbraw/zinc/15/54/95/412155495.db2.gz AHSLQCMWEGVFRE-QWRGUYRKSA-N 2 0 239.363 0.490 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000662412738 412155588 /nfs/dbraw/zinc/15/55/88/412155588.db2.gz IONQYDWCBBODAE-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP O=C(NCC[NH2+]C1CC1)c1cccc2c1C[NH2+]C2 ZINC000662410701 412155746 /nfs/dbraw/zinc/15/57/46/412155746.db2.gz CXSIZEOIMSCHPB-UHFFFAOYSA-N 2 0 245.326 0.772 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662411057 412155774 /nfs/dbraw/zinc/15/57/74/412155774.db2.gz RFGBRDUQKHNQKJ-MGCOHNPYSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662414350 412157234 /nfs/dbraw/zinc/15/72/34/412157234.db2.gz RAXVJPVLXBKHHM-AXFHLTTASA-N 2 0 225.336 0.182 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000662413739 412157492 /nfs/dbraw/zinc/15/74/92/412157492.db2.gz ITJMLDQKMXQYEO-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000662414421 412157630 /nfs/dbraw/zinc/15/76/30/412157630.db2.gz ZADNBFSBWJQBSN-OUAUKWLOSA-N 2 0 225.336 0.230 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662416970 412158022 /nfs/dbraw/zinc/15/80/22/412158022.db2.gz LITRHOMLIHIBLX-KYZUINATSA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@H](C)C[NH3+] ZINC000662417418 412158245 /nfs/dbraw/zinc/15/82/45/412158245.db2.gz HFPWYEITQWEZJI-MNOVXSKESA-N 2 0 229.368 0.803 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000662416364 412158284 /nfs/dbraw/zinc/15/82/84/412158284.db2.gz CHNHZJMGQAYRRR-BBBLOLIVSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000662419192 412159610 /nfs/dbraw/zinc/15/96/10/412159610.db2.gz FQOIOXGPKINTSG-RYUDHWBXSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)CC1([NH3+])CC1 ZINC000662417941 412160294 /nfs/dbraw/zinc/16/02/94/412160294.db2.gz OTIWCHAWLPDIDG-VIFPVBQESA-N 2 0 213.325 0.357 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000662421620 412161805 /nfs/dbraw/zinc/16/18/05/412161805.db2.gz FFAFYUUVLMKMAF-RKDXNWHRSA-N 2 0 201.314 0.084 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CC1([NH3+])CC1 ZINC000662421068 412161857 /nfs/dbraw/zinc/16/18/57/412161857.db2.gz CDXSRMGVYLSIHD-SNVBAGLBSA-N 2 0 213.325 0.357 20 0 BCADRP CN(CCC[NH3+])C(=O)c1cccc2c1CC[NH2+]C2 ZINC000662422630 412162420 /nfs/dbraw/zinc/16/24/20/412162420.db2.gz YCBHMNVXJNPABM-UHFFFAOYSA-N 2 0 247.342 0.753 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000662423679 412162723 /nfs/dbraw/zinc/16/27/23/412162723.db2.gz PBOHZSNABKPANB-KOLCDFICSA-N 2 0 215.341 0.474 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CC1([NH3+])CC1 ZINC000662421877 412162887 /nfs/dbraw/zinc/16/28/87/412162887.db2.gz QUJPSGQZLBYFLV-VHSXEESVSA-N 2 0 225.336 0.502 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)C[NH2+]C(C)C)CC1 ZINC000662431111 412168055 /nfs/dbraw/zinc/16/80/55/412168055.db2.gz ZUGBFBAIWHHADC-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP O=C1CC[C@@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)N1 ZINC000665272951 412214151 /nfs/dbraw/zinc/21/41/51/412214151.db2.gz NVRVMNIEUKZGSD-KKOKHZNYSA-N 2 0 237.347 0.243 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000662432278 412169995 /nfs/dbraw/zinc/16/99/95/412169995.db2.gz NAMMAVOVYVVVMD-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP COC[C@H](CC[NH2+][C@H](C)C[C@H](C)[NH3+])OC ZINC000665234393 412174260 /nfs/dbraw/zinc/17/42/60/412174260.db2.gz CFIHLMYZFXGKBQ-AXFHLTTASA-N 2 0 218.341 0.753 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](CC)[NH2+]C ZINC000662439339 412174739 /nfs/dbraw/zinc/17/47/39/412174739.db2.gz KPZWEYMWVWLPKU-MNOVXSKESA-N 2 0 229.368 0.831 20 0 BCADRP COC[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000665235406 412174943 /nfs/dbraw/zinc/17/49/43/412174943.db2.gz VVJDIMRLIKLVJK-ZGVCCVRISA-N 2 0 242.363 0.911 20 0 BCADRP [NH3+]C1(CNC(=O)CC[NH2+]C2CC2)CCCC1 ZINC000662645890 412254904 /nfs/dbraw/zinc/25/49/04/412254904.db2.gz GFEPGWNVSORRJY-UHFFFAOYSA-N 2 0 225.336 0.516 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NCC2([NH3+])CCCC2)CC[NH2+]1 ZINC000662647663 412255290 /nfs/dbraw/zinc/25/52/90/412255290.db2.gz BSTUEIFGPXFTPH-QWRGUYRKSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC1([NH3+])CCCC1 ZINC000662646267 412255587 /nfs/dbraw/zinc/25/55/87/412255587.db2.gz HPUXPPDBUCJLLT-UHFFFAOYSA-N 2 0 213.325 0.372 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000662649439 412256077 /nfs/dbraw/zinc/25/60/77/412256077.db2.gz POVKZEWZHXPONM-SECBINFHSA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+]C1(CNC(=O)CC[C@@H]2CCC[NH2+]2)CCCC1 ZINC000662649845 412256618 /nfs/dbraw/zinc/25/66/18/412256618.db2.gz SPCAHVOIVZGKMF-NSHDSACASA-N 2 0 239.363 0.906 20 0 BCADRP [NH3+]C1(CNC(=O)C[C@H]2CC[NH2+]C2)CCCC1 ZINC000662647830 412256622 /nfs/dbraw/zinc/25/66/22/412256622.db2.gz SERWXLWCMAQTOU-SNVBAGLBSA-N 2 0 225.336 0.374 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662648816 412256650 /nfs/dbraw/zinc/25/66/50/412256650.db2.gz KHVQLQBZICSOEI-GHMZBOCLSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCNc1cnccn1 ZINC000576695266 412259257 /nfs/dbraw/zinc/25/92/57/412259257.db2.gz LWCBHDNHPRGHQL-RYUDHWBXSA-N 2 0 249.362 0.866 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662676267 412266884 /nfs/dbraw/zinc/26/68/84/412266884.db2.gz UIEHECAMUZMCKL-ZYXZCXLHSA-N 2 0 225.336 0.454 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662674911 412267474 /nfs/dbraw/zinc/26/74/74/412267474.db2.gz GFJBDOQWBBSRSD-YZRBJQDESA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)CC1([NH3+])CCC1 ZINC000662680059 412268123 /nfs/dbraw/zinc/26/81/23/412268123.db2.gz DOLAQLCMQSEJPT-UHFFFAOYSA-N 2 0 223.320 0.208 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)CC1([NH3+])CC1 ZINC000662679875 412268557 /nfs/dbraw/zinc/26/85/57/412268557.db2.gz DBLKLONNYLPVHO-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662683849 412269837 /nfs/dbraw/zinc/26/98/37/412269837.db2.gz VVMONQGGJBHRGH-FKTRJACZSA-N 2 0 211.309 0.064 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000662682319 412269859 /nfs/dbraw/zinc/26/98/59/412269859.db2.gz RGKPKEUNBGBSTD-GMTAPVOTSA-N 2 0 237.347 0.324 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662684034 412270572 /nfs/dbraw/zinc/27/05/72/412270572.db2.gz WOWUMHJBLHSICA-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]([NH3+])C1CCC1 ZINC000662683942 412270852 /nfs/dbraw/zinc/27/08/52/412270852.db2.gz XNEGQJIQKSQRFN-KRBLXSNTSA-N 2 0 223.320 0.064 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000662685046 412270936 /nfs/dbraw/zinc/27/09/36/412270936.db2.gz OEDNYYBWTIPGJM-HAQNSBGRSA-N 2 0 237.347 0.278 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000662694275 412273433 /nfs/dbraw/zinc/27/34/33/412273433.db2.gz ZTMZBFFBJOAQRL-GMTAPVOTSA-N 2 0 248.330 0.853 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000662703512 412276502 /nfs/dbraw/zinc/27/65/02/412276502.db2.gz LBJZXNIAHCRHFX-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000662703925 412276601 /nfs/dbraw/zinc/27/66/01/412276601.db2.gz WFTGHICWPNVIDQ-GUBZILKMSA-N 2 0 223.320 0.077 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000662703780 412276629 /nfs/dbraw/zinc/27/66/29/412276629.db2.gz NGHHWWLQDHLRNO-JQWIXIFHSA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH+](CC)CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662719103 412280930 /nfs/dbraw/zinc/28/09/30/412280930.db2.gz APZOCNPROYYABE-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662724701 412284121 /nfs/dbraw/zinc/28/41/21/412284121.db2.gz PEVGFCNASJSZOD-ZJUUUORDSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662725737 412284688 /nfs/dbraw/zinc/28/46/88/412284688.db2.gz VVWRWKWUDCECTJ-AXFHLTTASA-N 2 0 229.368 0.849 20 0 BCADRP CC[C@H]1CN(C(=O)[C@H](C)[NH2+]C)CC[C@@H]1[NH3+] ZINC000662556546 412216280 /nfs/dbraw/zinc/21/62/80/412216280.db2.gz AIBXZHDFDIFGKO-GUBZILKMSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000662555199 412216294 /nfs/dbraw/zinc/21/62/94/412216294.db2.gz ZOOCQYWLLGDIFQ-NAKRPEOUSA-N 2 0 225.336 0.180 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000662555197 412216451 /nfs/dbraw/zinc/21/64/51/412216451.db2.gz ZOOCQYWLLGDIFQ-MMWGEVLESA-N 2 0 225.336 0.180 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000662555684 412216520 /nfs/dbraw/zinc/21/65/20/412216520.db2.gz ZJSUUGYALYHKSL-VHSXEESVSA-N 2 0 213.325 0.243 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000662560315 412218554 /nfs/dbraw/zinc/21/85/54/412218554.db2.gz IFUUJPHLQOXEMC-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000662560317 412218736 /nfs/dbraw/zinc/21/87/36/412218736.db2.gz IFUUJPHLQOXEMC-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662560106 412218905 /nfs/dbraw/zinc/21/89/05/412218905.db2.gz GQKMFIKVPAWZQM-JFGNBEQYSA-N 2 0 225.336 0.311 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000662560549 412218911 /nfs/dbraw/zinc/21/89/11/412218911.db2.gz GFGLSPLFEUPCPN-UWVGGRQHSA-N 2 0 213.325 0.241 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000662564731 412219968 /nfs/dbraw/zinc/21/99/68/412219968.db2.gz VKDBNJSJSFXUKU-NXEZZACHSA-N 2 0 215.341 0.618 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000662563036 412220479 /nfs/dbraw/zinc/22/04/79/412220479.db2.gz CGFSVHAFYQVWGS-HAQNSBGRSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277952 412221234 /nfs/dbraw/zinc/22/12/34/412221234.db2.gz QGXBRQKYLRCHPI-YTOAPMJUSA-N 2 0 235.375 0.811 20 0 BCADRP C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000665278099 412221328 /nfs/dbraw/zinc/22/13/28/412221328.db2.gz VBRWLSIUJSDWDK-YIFLHPOLSA-N 2 0 235.375 0.955 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000662565720 412221435 /nfs/dbraw/zinc/22/14/35/412221435.db2.gz GVYBLUOLVBDNRT-RQJHMYQMSA-N 2 0 223.267 0.083 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662568046 412222979 /nfs/dbraw/zinc/22/29/79/412222979.db2.gz PLRVUJSGKPMTAM-QWRGUYRKSA-N 2 0 229.368 0.851 20 0 BCADRP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)C(C)(C)n1cncn1 ZINC000665279529 412223407 /nfs/dbraw/zinc/22/34/07/412223407.db2.gz FRHLECUIHPQFEF-ZBOXLXRLSA-N 2 0 249.362 0.743 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665280144 412224361 /nfs/dbraw/zinc/22/43/61/412224361.db2.gz UNEHURXIOFSFFA-UPOSSJBDSA-N 2 0 209.337 0.455 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000662571791 412224938 /nfs/dbraw/zinc/22/49/38/412224938.db2.gz KMOVVUQVOZUKGH-QWRGUYRKSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000662571592 412225223 /nfs/dbraw/zinc/22/52/23/412225223.db2.gz UBWQBILCAKOQSG-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000662579540 412227214 /nfs/dbraw/zinc/22/72/14/412227214.db2.gz XJGHNJAECHWVDR-SNVBAGLBSA-N 2 0 225.336 0.339 20 0 BCADRP CN(Cc1c[nH]cn1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000662584405 412228479 /nfs/dbraw/zinc/22/84/79/412228479.db2.gz AHKBIWJFSNXSQF-NXEZZACHSA-N 2 0 236.319 0.886 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621530 412232941 /nfs/dbraw/zinc/23/29/41/412232941.db2.gz IXEHLSLVCRWSIQ-DTWKUNHWSA-N 2 0 213.325 0.323 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662595257 412233498 /nfs/dbraw/zinc/23/34/98/412233498.db2.gz ZFTHYVAMAPJXOR-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662593614 412233778 /nfs/dbraw/zinc/23/37/78/412233778.db2.gz PQACUYZOGJMESC-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000662601454 412234984 /nfs/dbraw/zinc/23/49/84/412234984.db2.gz IFKDDTIVGYLKTD-VHSXEESVSA-N 2 0 227.352 0.700 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000662603608 412236357 /nfs/dbraw/zinc/23/63/57/412236357.db2.gz YBTLTTUKFPZYPX-GXFFZTMASA-N 2 0 239.363 0.572 20 0 BCADRP CCC[C@@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291222 412237002 /nfs/dbraw/zinc/23/70/02/412237002.db2.gz XIYLTZVNEXAFBK-MRVPVSSYSA-N 2 0 224.308 0.919 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000662605625 412237307 /nfs/dbraw/zinc/23/73/07/412237307.db2.gz PJOIMGVAYXDAFJ-JOYOIKCWSA-N 2 0 225.336 0.182 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)CC1([NH3+])CC1 ZINC000662733337 412288018 /nfs/dbraw/zinc/28/80/18/412288018.db2.gz JMHVSIINSSROGA-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621919 412244336 /nfs/dbraw/zinc/24/43/36/412244336.db2.gz LVLJUBNWAHXFCN-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]C[C@H](C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000665296766 412244560 /nfs/dbraw/zinc/24/45/60/412244560.db2.gz XOFVKOIWYWJPSH-JBLDHEPKSA-N 2 0 211.353 0.667 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621849 412245167 /nfs/dbraw/zinc/24/51/67/412245167.db2.gz XMIUPZRYNLVASF-WDEREUQCSA-N 2 0 241.379 0.973 20 0 BCADRP FCCOCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000665298921 412246509 /nfs/dbraw/zinc/24/65/09/412246509.db2.gz CHNBSGYRTYOIEC-GRYCIOLGSA-N 2 0 230.327 0.950 20 0 BCADRP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])S(C)(=O)=O ZINC000665299625 412247600 /nfs/dbraw/zinc/24/76/00/412247600.db2.gz QKSPUGZVKNLCDW-VHSXEESVSA-N 2 0 236.381 0.527 20 0 BCADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)S(C)(=O)=O ZINC000665299613 412248444 /nfs/dbraw/zinc/24/84/44/412248444.db2.gz QFNHDLSEDJHZJG-VWYCJHECSA-N 2 0 248.392 0.397 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662732308 412288258 /nfs/dbraw/zinc/28/82/58/412288258.db2.gz AJWOPASRQJASKX-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](CCNC(=O)C(C)(C)C[NH3+])[NH+](C)C ZINC000662632316 412250094 /nfs/dbraw/zinc/25/00/94/412250094.db2.gz BRIURLQXFPAHID-SECBINFHSA-N 2 0 215.341 0.428 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662634488 412251149 /nfs/dbraw/zinc/25/11/49/412251149.db2.gz RZUOQMYRZIDDSL-NXEZZACHSA-N 2 0 215.341 0.298 20 0 BCADRP C[NH2+]CCCC(=O)NCC[C@H](C)[NH+](C)C ZINC000662633031 412251701 /nfs/dbraw/zinc/25/17/01/412251701.db2.gz IVFBMJULDMOCQP-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+])[NH+](C)C ZINC000662636444 412252950 /nfs/dbraw/zinc/25/29/50/412252950.db2.gz YOVPXCSGSOEYCT-MXWKQRLJSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000662818120 412306427 /nfs/dbraw/zinc/30/64/27/412306427.db2.gz PIDAWODBENXVRB-NAKRPEOUSA-N 2 0 227.352 0.426 20 0 BCADRP [NH3+]C[C@H](NC(=O)CC1([NH3+])CC1)C1CCCC1 ZINC000662811930 412307658 /nfs/dbraw/zinc/30/76/58/412307658.db2.gz CLDZHHWRWXCIDT-JTQLQIEISA-N 2 0 225.336 0.502 20 0 BCADRP C[C@H]1CCN(C(=O)CC2([NH3+])CC2)C[C@@H]1C[NH3+] ZINC000662814923 412308538 /nfs/dbraw/zinc/30/85/38/412308538.db2.gz RJRUJVMSPAIBTK-UWVGGRQHSA-N 2 0 225.336 0.311 20 0 BCADRP CN(C(=O)CC1([NH3+])CC1)[C@@H](C[NH3+])C1CC1 ZINC000662815236 412308754 /nfs/dbraw/zinc/30/87/54/412308754.db2.gz PPQNWTAAIZRGJH-VIFPVBQESA-N 2 0 211.309 0.064 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CC1([NH3+])CC1 ZINC000662815733 412308829 /nfs/dbraw/zinc/30/88/29/412308829.db2.gz TYWXGEVGACXZQB-QMMMGPOBSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000662815395 412308935 /nfs/dbraw/zinc/30/89/35/412308935.db2.gz TWBZZOFSQOAACT-GWOFURMSSA-N 2 0 225.336 0.167 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000662815281 412309071 /nfs/dbraw/zinc/30/90/71/412309071.db2.gz RDCLSVXRVAXSOG-BDAKNGLRSA-N 2 0 215.341 0.474 20 0 BCADRP [NH3+]CC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663000574 412366299 /nfs/dbraw/zinc/36/62/99/412366299.db2.gz JVNGBXRRJOMMLW-NSHDSACASA-N 2 0 225.336 0.183 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000662824051 412311591 /nfs/dbraw/zinc/31/15/91/412311591.db2.gz VMRAGSQTOZVBEH-LLVKDONJSA-N 2 0 239.363 0.775 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000662822533 412311598 /nfs/dbraw/zinc/31/15/98/412311598.db2.gz OWBJEWQXUUCSLA-GMTAPVOTSA-N 2 0 237.347 0.515 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000662824774 412312817 /nfs/dbraw/zinc/31/28/17/412312817.db2.gz OSFWBXIUHQUCKO-MNOVXSKESA-N 2 0 239.363 0.775 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000662832053 412314821 /nfs/dbraw/zinc/31/48/21/412314821.db2.gz IIUGNOLHKUWYFZ-NXEZZACHSA-N 2 0 213.325 0.323 20 0 BCADRP [NH3+]CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662836784 412316510 /nfs/dbraw/zinc/31/65/10/412316510.db2.gz DIAVDCPMSHNMSX-VHSXEESVSA-N 2 0 211.309 0.078 20 0 BCADRP C[NH2+]CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662839038 412316877 /nfs/dbraw/zinc/31/68/77/412316877.db2.gz OUTFAHLIQAWXCU-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP [NH3+]CCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662839331 412316893 /nfs/dbraw/zinc/31/68/93/412316893.db2.gz PVTORPIFEXRCSL-GHMZBOCLSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662837780 412317232 /nfs/dbraw/zinc/31/72/32/412317232.db2.gz KZICEJBNLOMQAC-HBNTYKKESA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+]CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662836783 412317466 /nfs/dbraw/zinc/31/74/66/412317466.db2.gz DIAVDCPMSHNMSX-UWVGGRQHSA-N 2 0 211.309 0.078 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662851894 412323472 /nfs/dbraw/zinc/32/34/72/412323472.db2.gz FERQTJIRJXQWOS-DCAQKATOSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H](CCNC(=O)CC1([NH3+])CC1)[NH+](C)C ZINC000662857332 412326975 /nfs/dbraw/zinc/32/69/75/412326975.db2.gz ADDRPWWMHVDRIJ-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H](CCNC(=O)[C@H]1C[C@@H]([NH3+])C1)[NH+](C)C ZINC000662858241 412327360 /nfs/dbraw/zinc/32/73/60/412327360.db2.gz FOKIVGBTEJPIMZ-LPEHRKFASA-N 2 0 213.325 0.180 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000662861051 412328043 /nfs/dbraw/zinc/32/80/43/412328043.db2.gz VIVQDQFKJQIKRK-RHYQMDGZSA-N 2 0 237.347 0.385 20 0 BCADRP CC[C@]1(C(=O)NCC2([NH3+])CCCC2)CCC[NH2+]1 ZINC000662862549 412328663 /nfs/dbraw/zinc/32/86/63/412328663.db2.gz BNKUAZPVWJVSGD-CYBMUJFWSA-N 2 0 239.363 0.906 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCCC1 ZINC000662862529 412328677 /nfs/dbraw/zinc/32/86/77/412328677.db2.gz AXHCWAHHDIKLHV-BBBLOLIVSA-N 2 0 223.320 0.125 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH+](C)C ZINC000353001289 171682058 /nfs/dbraw/zinc/68/20/58/171682058.db2.gz HMTUNIOFTYRHIJ-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000662924919 412346931 /nfs/dbraw/zinc/34/69/31/412346931.db2.gz ASCHBUYBESQSDI-VXGBXAGGSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)CC1([NH3+])CC1 ZINC000662926013 412347395 /nfs/dbraw/zinc/34/73/95/412347395.db2.gz NLLRWTFDHMFKEG-SECBINFHSA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000662927448 412348253 /nfs/dbraw/zinc/34/82/53/412348253.db2.gz ZYDXFIJJYYNJMN-YPMHNXCESA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000662945904 412351322 /nfs/dbraw/zinc/35/13/22/412351322.db2.gz WRHUENSHZRMVLS-CKYFFXLPSA-N 2 0 243.326 0.274 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C1(C[NH3+])CCCC1 ZINC000662952327 412352092 /nfs/dbraw/zinc/35/20/92/412352092.db2.gz CRIZBVIODURPNU-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@@H]([NH2+]C)C2)CC[NH2+]C1 ZINC000370848013 171710466 /nfs/dbraw/zinc/71/04/66/171710466.db2.gz WJZXYXKNWNNJJX-PWSUYJOCSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000662954769 412353361 /nfs/dbraw/zinc/35/33/61/412353361.db2.gz ZIOKOFRBQPXZLC-JQWIXIFHSA-N 2 0 235.331 0.453 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000662953693 412353882 /nfs/dbraw/zinc/35/38/82/412353882.db2.gz OOVZCZUDZWQKPE-MWLCHTKSSA-N 2 0 221.304 0.411 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000662964387 412356936 /nfs/dbraw/zinc/35/69/36/412356936.db2.gz AHBXGSOOPILMNT-ZJUUUORDSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000662964714 412357609 /nfs/dbraw/zinc/35/76/09/412357609.db2.gz HOFBQCQAOCFHBR-SECBINFHSA-N 2 0 236.319 0.485 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)CCC1CC[NH2+]CC1 ZINC000662965698 412357725 /nfs/dbraw/zinc/35/77/25/412357725.db2.gz LWIGKOMTZFLYQK-JTQLQIEISA-N 2 0 227.352 0.490 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H](C)C[NH2+]C ZINC000662965345 412357958 /nfs/dbraw/zinc/35/79/58/412357958.db2.gz PHDBOAFHPCYLKK-RKDXNWHRSA-N 2 0 201.314 0.099 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)C[NH2+]C ZINC000662966685 412358639 /nfs/dbraw/zinc/35/86/39/412358639.db2.gz UPMFZMJLTLRDBH-VGMNWLOBSA-N 2 0 201.314 0.084 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000662966713 412358786 /nfs/dbraw/zinc/35/87/86/412358786.db2.gz UYDUQGBKGJBKAV-GXSJLCMTSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000662966395 412358934 /nfs/dbraw/zinc/35/89/34/412358934.db2.gz RDMBYDOGPSIUPO-LLVKDONJSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000662968224 412359703 /nfs/dbraw/zinc/35/97/03/412359703.db2.gz SIZFGDVEORXWIV-AEJSXWLSSA-N 2 0 215.341 0.330 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662970099 412360303 /nfs/dbraw/zinc/36/03/03/412360303.db2.gz UPJDSUVDUZCFFL-SECBINFHSA-N 2 0 225.336 0.372 20 0 BCADRP CN(C(=O)[C@H]1CCC[NH2+]1)[C@H](C[NH3+])C(F)(F)F ZINC000662979049 412361373 /nfs/dbraw/zinc/36/13/73/412361373.db2.gz TZFWQLAMTLZRQY-RNFRBKRXSA-N 2 0 239.241 0.086 20 0 BCADRP CN(C(=O)[C@H]1CCC[NH2+]1)[C@@H](C[NH3+])C(F)(F)F ZINC000662979051 412361572 /nfs/dbraw/zinc/36/15/72/412361572.db2.gz TZFWQLAMTLZRQY-RQJHMYQMSA-N 2 0 239.241 0.086 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662747899 412290440 /nfs/dbraw/zinc/29/04/40/412290440.db2.gz GFMVRPNWCARWJG-DJLDLDEBSA-N 2 0 217.288 0.012 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CC2([NH3+])CC2)C[N@@H+]1C1CC1 ZINC000662755365 412292028 /nfs/dbraw/zinc/29/20/28/412292028.db2.gz YTIWZZIZBNEBRP-NXEZZACHSA-N 2 0 237.347 0.609 20 0 BCADRP [NH3+]C1(CNC(=O)C2([NH2+]C3CC3)CCC2)CCC1 ZINC000662763627 412293358 /nfs/dbraw/zinc/29/33/58/412293358.db2.gz BBXJHCVZBANSSI-UHFFFAOYSA-N 2 0 237.347 0.659 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CC1([NH3+])CC1 ZINC000662764390 412294716 /nfs/dbraw/zinc/29/47/16/412294716.db2.gz JPRIJNBWJIWOSN-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])cc1 ZINC000662765909 412295023 /nfs/dbraw/zinc/29/50/23/412295023.db2.gz FWFAMCPVJGUFDU-NEPJUHHUSA-N 2 0 249.314 0.448 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CC3([NH3+])CC3)C[C@H]21 ZINC000662765827 412295230 /nfs/dbraw/zinc/29/52/30/412295230.db2.gz IUGAXGLDUYLBOV-HBNTYKKESA-N 2 0 237.347 0.454 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000662767314 412295656 /nfs/dbraw/zinc/29/56/56/412295656.db2.gz ULMLNXJKZMLHMW-NSHDSACASA-N 2 0 223.320 0.080 20 0 BCADRP O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)C1([NH2+]C2CC2)CCC1 ZINC000662774055 412297795 /nfs/dbraw/zinc/29/77/95/412297795.db2.gz MDYFIFZAVBBNNL-PHIMTYICSA-N 2 0 249.358 0.339 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000662776493 412299132 /nfs/dbraw/zinc/29/91/32/412299132.db2.gz XNKFJZFIBABXPU-GWOFURMSSA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+]C1(CC(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000662783744 412300562 /nfs/dbraw/zinc/30/05/62/412300562.db2.gz MVTWGPOGQANHEI-VHSXEESVSA-N 2 0 223.320 0.078 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662782483 412300779 /nfs/dbraw/zinc/30/07/79/412300779.db2.gz ZVYFROJEZJUWKP-ILAIQSSSSA-N 2 0 225.336 0.226 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662783841 412301721 /nfs/dbraw/zinc/30/17/21/412301721.db2.gz RSYIAPLWQUOQMY-SECBINFHSA-N 2 0 225.336 0.515 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCNc2cnccn2)C1 ZINC000572542006 412302023 /nfs/dbraw/zinc/30/20/23/412302023.db2.gz PZMZOFHJBNSQBK-MNOVXSKESA-N 2 0 235.335 0.748 20 0 BCADRP [NH3+]C1(CC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000662786198 412302053 /nfs/dbraw/zinc/30/20/53/412302053.db2.gz TYSJYTPPUDIGQS-SNVBAGLBSA-N 2 0 225.336 0.516 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000663011772 412370189 /nfs/dbraw/zinc/37/01/89/412370189.db2.gz RQQSZKMOQBKWPN-GFCCVEGCSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@]1(NC(=O)CC[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000663011801 412370280 /nfs/dbraw/zinc/37/02/80/412370280.db2.gz SNLDXUCASWNPDH-JQWIXIFHSA-N 2 0 225.336 0.387 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663010962 412370313 /nfs/dbraw/zinc/37/03/13/412370313.db2.gz MWEMSPZHJBTMHT-SCVCMEIPSA-N 2 0 225.336 0.243 20 0 BCADRP CCn1nccc1CNC[C@@](C)(O)C[NH+](C)C ZINC000119881596 172270401 /nfs/dbraw/zinc/27/04/01/172270401.db2.gz HAFROFFWXKHTMF-GFCCVEGCSA-N 2 0 240.351 0.305 20 0 BCADRP CN(C(=O)C[NH2+]CC1CC1)[C@H]1CCC[NH2+]CC1 ZINC000364652640 172309592 /nfs/dbraw/zinc/30/95/92/172309592.db2.gz IAUFXFRAYFKYBN-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP CN(C(=O)C[C@@H]([NH3+])c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000178806835 172312814 /nfs/dbraw/zinc/31/28/14/172312814.db2.gz RIHHHSIITWBOJV-CHWSQXEVSA-N 2 0 247.342 0.897 20 0 BCADRP CN(C(=O)[C@@]1(C)CCCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000180897379 172331393 /nfs/dbraw/zinc/33/13/93/172331393.db2.gz VIMAHVYTHPRTDE-CMPLNLGQSA-N 2 0 225.336 0.339 20 0 BCADRP CN(C(=O)[C@H]([NH3+])Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000178409373 172331442 /nfs/dbraw/zinc/33/14/42/172331442.db2.gz OGHSTWXVCAEDLF-QWHCGFSZSA-N 2 0 247.342 0.377 20 0 BCADRP CN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@H]1CC[NH2+]C1 ZINC000378306004 172332670 /nfs/dbraw/zinc/33/26/70/172332670.db2.gz KSJPZYJLOGEAFG-WDEREUQCSA-N 2 0 237.347 0.196 20 0 BCADRP CN(C)C(=[NH2+])NCc1ccnc(-n2ccnc2)c1 ZINC000360598808 172353456 /nfs/dbraw/zinc/35/34/56/172353456.db2.gz DBXTZZUDPRVJKA-UHFFFAOYSA-N 2 0 244.302 0.853 20 0 BCADRP CN(C)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000334982168 172365119 /nfs/dbraw/zinc/36/51/19/172365119.db2.gz YVQHNBHDASUHBK-NEPJUHHUSA-N 2 0 239.363 0.396 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C(C)(C)[NH3+] ZINC000040925049 172393634 /nfs/dbraw/zinc/39/36/34/172393634.db2.gz NQMPGTGAHYLNCY-UHFFFAOYSA-N 2 0 201.314 0.180 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CC[NH2+]C1 ZINC000062115931 172394829 /nfs/dbraw/zinc/39/48/29/172394829.db2.gz ORKMQVOCUJCRRO-VIFPVBQESA-N 2 0 213.325 0.052 20 0 BCADRP C[NH+](C)C1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000037616180 172405486 /nfs/dbraw/zinc/40/54/86/172405486.db2.gz JOXDWCMALGFSTC-UHFFFAOYSA-N 2 0 239.363 0.811 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000062112151 172420911 /nfs/dbraw/zinc/42/09/11/172420911.db2.gz JNISDPCXYJOQDT-SNVBAGLBSA-N 2 0 227.352 0.300 20 0 BCADRP C[NH+](C)CCCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134471436 172437817 /nfs/dbraw/zinc/43/78/17/172437817.db2.gz HLYFLCZYDVIVAF-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364556754 172437971 /nfs/dbraw/zinc/43/79/71/172437971.db2.gz AGTJNOCBSFGVIJ-JQWIXIFHSA-N 2 0 225.336 0.054 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCC[NH3+])C1 ZINC000237182611 172526377 /nfs/dbraw/zinc/52/63/77/172526377.db2.gz KVUZQEROKHXECH-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC000044518224 172986459 /nfs/dbraw/zinc/98/64/59/172986459.db2.gz KOFUAISMEYNLDV-VXGBXAGGSA-N 2 0 212.337 0.831 20 0 BCADRP C[NH+]1CCC(NC(=O)C2([NH3+])CCCC2)CC1 ZINC000037479468 172990653 /nfs/dbraw/zinc/99/06/53/172990653.db2.gz YBWCXVPPOBFPME-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000227004731 173011509 /nfs/dbraw/zinc/01/15/09/173011509.db2.gz USUVLJMZWRZAEG-VXGBXAGGSA-N 2 0 239.363 0.668 20 0 BCADRP C[N@@H+]1CCCN(C(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000134474994 173011845 /nfs/dbraw/zinc/01/18/45/173011845.db2.gz NRYGGEVPJODWTJ-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])CC(F)F)CC1 ZINC000309204172 173011963 /nfs/dbraw/zinc/01/19/63/173011963.db2.gz MBSMDCSHGPUZJH-MRVPVSSYSA-N 2 0 235.278 0.133 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000227861381 173012020 /nfs/dbraw/zinc/01/20/20/173012020.db2.gz FMEZWDHLOLJFNI-GHMZBOCLSA-N 2 0 225.336 0.278 20 0 BCADRP C[N@H+](C[C@H](O)CN1CCC[NH+](C)CC1)C1CC1 ZINC000336678719 173014256 /nfs/dbraw/zinc/01/42/56/173014256.db2.gz CXTIWPUKDUBHIX-ZDUSSCGKSA-N 2 0 241.379 0.079 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC000040673750 173021248 /nfs/dbraw/zinc/02/12/48/173021248.db2.gz DSGLMNOGBPXWOH-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH3+] ZINC000333934975 173030543 /nfs/dbraw/zinc/03/05/43/173030543.db2.gz JAGRBYYSZLMISQ-WDEREUQCSA-N 2 0 240.351 0.213 20 0 BCADRP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C[NH3+] ZINC000371261924 173033143 /nfs/dbraw/zinc/03/31/43/173033143.db2.gz FRVFTOQIYKTIDF-NXEZZACHSA-N 2 0 211.309 0.030 20 0 BCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C3([NH3+])CC3)CC[C@H]21 ZINC000227333542 173036024 /nfs/dbraw/zinc/03/60/24/173036024.db2.gz UBZGJGYVHUHOCN-GHMZBOCLSA-N 2 0 237.347 0.420 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000044538751 173042459 /nfs/dbraw/zinc/04/24/59/173042459.db2.gz XLJGAGCAHJFARF-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC000040673749 173044478 /nfs/dbraw/zinc/04/44/78/173044478.db2.gz DSGLMNOGBPXWOH-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000336321132 173047756 /nfs/dbraw/zinc/04/77/56/173047756.db2.gz HTVWZWABCFCEMV-RYUDHWBXSA-N 2 0 237.347 0.387 20 0 BCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000309459996 173048642 /nfs/dbraw/zinc/04/86/42/173048642.db2.gz NPWPZHLULAZALO-JTQLQIEISA-N 2 0 225.336 0.291 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000226393955 173057620 /nfs/dbraw/zinc/05/76/20/173057620.db2.gz QYAMNNVLVGAEPJ-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCOCCO)C2)C1 ZINC000339432685 173062783 /nfs/dbraw/zinc/06/27/83/173062783.db2.gz KOIRCNPBCQZKDZ-ZDUSSCGKSA-N 2 0 242.363 0.413 20 0 BCADRP C[N@@H+]1CCN(C(=O)CC[NH3+])C2(CCCCC2)C1 ZINC000237133998 173066860 /nfs/dbraw/zinc/06/68/60/173066860.db2.gz DTSMTRALSDYWFZ-UHFFFAOYSA-N 2 0 239.363 0.812 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH3+])c2)C1 ZINC000037645621 173116386 /nfs/dbraw/zinc/11/63/86/173116386.db2.gz IDSINUDPNFMGIY-LBPRGKRZSA-N 2 0 247.342 0.827 20 0 BCADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCCO)C2)C1 ZINC000308988976 173139634 /nfs/dbraw/zinc/13/96/34/173139634.db2.gz NAPVBUCCGHKAAE-GFCCVEGCSA-N 2 0 212.337 0.787 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)c2cccc(C[NH3+])c2)C1 ZINC000037645620 173144980 /nfs/dbraw/zinc/14/49/80/173144980.db2.gz IDSINUDPNFMGIY-GFCCVEGCSA-N 2 0 247.342 0.827 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000062893825 173145704 /nfs/dbraw/zinc/14/57/04/173145704.db2.gz ZVAOLTWXVQJDRG-PWSUYJOCSA-N 2 0 225.336 0.054 20 0 BCADRP CNC(=[NH2+])NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000360285821 173210011 /nfs/dbraw/zinc/21/00/11/173210011.db2.gz VQDTWDNYAJBCCT-MNOVXSKESA-N 2 0 240.351 0.231 20 0 BCADRP CNC(=O)CC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000123619727 173248513 /nfs/dbraw/zinc/24/85/13/173248513.db2.gz HUPPAIVIFDBACF-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP CNC(=O)CC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123619002 173249297 /nfs/dbraw/zinc/24/92/97/173249297.db2.gz HUPPAIVIFDBACF-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000308582213 173280705 /nfs/dbraw/zinc/28/07/05/173280705.db2.gz GYMBUZSTRXUEKQ-SECBINFHSA-N 2 0 201.314 0.052 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000309983661 173280789 /nfs/dbraw/zinc/28/07/89/173280789.db2.gz XIJQEOKGMNASEG-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000352687396 173281815 /nfs/dbraw/zinc/28/18/15/173281815.db2.gz WWXZXKOAWZVHDY-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000341982827 173283204 /nfs/dbraw/zinc/28/32/04/173283204.db2.gz VLGOFRLSEWLPMX-SDDRHHMPSA-N 2 0 241.379 0.973 20 0 BCADRP CNC(=O)[C@H](C)C[N@H+](C)CCC1CC[NH2+]CC1 ZINC000234374480 173301048 /nfs/dbraw/zinc/30/10/48/173301048.db2.gz BNTPUJJNDBIBQF-LLVKDONJSA-N 2 0 241.379 0.690 20 0 BCADRP CNC(=O)[C@H](C)C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226439133 173301468 /nfs/dbraw/zinc/30/14/68/173301468.db2.gz XKSMTIDRQDKNKH-GHMZBOCLSA-N 2 0 227.352 0.300 20 0 BCADRP C[NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC000237058439 173322730 /nfs/dbraw/zinc/32/27/30/173322730.db2.gz NJTNNYFJTMOUPK-UHFFFAOYSA-N 2 0 227.352 0.537 20 0 BCADRP C[NH2+]CC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000237179168 173324292 /nfs/dbraw/zinc/32/42/92/173324292.db2.gz FSPNYDAXTNYQCB-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP C[NH2+]CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826172 173325151 /nfs/dbraw/zinc/32/51/51/173325151.db2.gz BVRIDTVWUVZVTM-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP C[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000249418006 173325604 /nfs/dbraw/zinc/32/56/04/173325604.db2.gz DCWOANOVQADHIX-VHSXEESVSA-N 2 0 213.325 0.004 20 0 BCADRP C[NH2+]CC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000336424102 173326335 /nfs/dbraw/zinc/32/63/35/173326335.db2.gz KNEFJRIEYYGRLS-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000237212488 173328247 /nfs/dbraw/zinc/32/82/47/173328247.db2.gz MOAAHFQIFVFNGY-UHFFFAOYSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]CC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000237224235 173328924 /nfs/dbraw/zinc/32/89/24/173328924.db2.gz JUNMVCZQZHPGAD-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP C[NH2+]CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000019517302 173328994 /nfs/dbraw/zinc/32/89/94/173328994.db2.gz UXBCSSOMFDQRGO-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]CC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237251869 173330482 /nfs/dbraw/zinc/33/04/82/173330482.db2.gz NDTTWRBMHJMKMR-TUAOUCFPSA-N 2 0 241.379 0.688 20 0 BCADRP C[NH2+]CC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000193142736 173331824 /nfs/dbraw/zinc/33/18/24/173331824.db2.gz QEKIXOVZEZACBN-GFCCVEGCSA-N 2 0 249.358 0.843 20 0 BCADRP C[NH2+]CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000040809141 173331877 /nfs/dbraw/zinc/33/18/77/173331877.db2.gz ZSFPXUQWTSOULF-LBPRGKRZSA-N 2 0 235.331 0.625 20 0 BCADRP C[NH2+]CC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000178830593 173332948 /nfs/dbraw/zinc/33/29/48/173332948.db2.gz XKTMNNDQWOJNIK-UHFFFAOYSA-N 2 0 222.292 0.301 20 0 BCADRP C[NH2+]CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000037019526 173333895 /nfs/dbraw/zinc/33/38/95/173333895.db2.gz MZZIWBGGGIWOKA-UHFFFAOYSA-N 2 0 221.304 0.906 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H](C)CC[NH+](C)C ZINC000043606337 173340912 /nfs/dbraw/zinc/34/09/12/173340912.db2.gz PUIOWBLLEGKZQC-VIFPVBQESA-N 2 0 201.314 0.052 20 0 BCADRP C[NH2+]CC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000051756237 173338724 /nfs/dbraw/zinc/33/87/24/173338724.db2.gz OXZAAPKZBWDGRG-UHFFFAOYSA-N 2 0 222.336 0.852 20 0 BCADRP C[NH2+]CCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000357252277 173339392 /nfs/dbraw/zinc/33/93/92/173339392.db2.gz WBPCZIIDKVMUPN-LLVKDONJSA-N 2 0 225.336 0.291 20 0 BCADRP C[NH2+]CCC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000043605390 173339564 /nfs/dbraw/zinc/33/95/64/173339564.db2.gz YBCUDDSOIZFFNT-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP C[NH2+]CCC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000043599761 173339969 /nfs/dbraw/zinc/33/99/69/173339969.db2.gz DCECCZYMFNQLLM-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000375834063 173340148 /nfs/dbraw/zinc/34/01/48/173340148.db2.gz KKNXPNXRUALSCF-AXFHLTTASA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000357243796 173341287 /nfs/dbraw/zinc/34/12/87/173341287.db2.gz RBJZFSBGHWNYAQ-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+]CCC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375986409 173342242 /nfs/dbraw/zinc/34/22/42/173342242.db2.gz DNPHBJADJVSBDZ-UHFFFAOYSA-N 2 0 233.315 0.880 20 0 BCADRP C[NH2+]CCCC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000370793349 173343439 /nfs/dbraw/zinc/34/34/39/173343439.db2.gz LHYZOOBDEMEXJM-UHFFFAOYSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000376454280 173343740 /nfs/dbraw/zinc/34/37/40/173343740.db2.gz KMJSMRZBUJGUDN-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094459952 173343912 /nfs/dbraw/zinc/34/39/12/173343912.db2.gz WBRDFRRXMYBHRU-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]CCCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000037611407 173344029 /nfs/dbraw/zinc/34/40/29/173344029.db2.gz BZQGILVCMACPJF-UHFFFAOYSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000037816830 173344050 /nfs/dbraw/zinc/34/40/50/173344050.db2.gz RXVOIWYPNUSTQD-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000340156191 173344067 /nfs/dbraw/zinc/34/40/67/173344067.db2.gz BENIZRVRTMTLDE-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649678 173344220 /nfs/dbraw/zinc/34/42/20/173344220.db2.gz DMMPZQFCGHTPAH-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000237202418 173344678 /nfs/dbraw/zinc/34/46/78/173344678.db2.gz SJYBWGSVUHMJGL-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000127541678 173345869 /nfs/dbraw/zinc/34/58/69/173345869.db2.gz HHLMXDWDKUSMQE-LBPRGKRZSA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@H]1CCCOC1 ZINC000082544482 173346162 /nfs/dbraw/zinc/34/61/62/173346162.db2.gz BJBATGBHKMQRQB-LLVKDONJSA-N 2 0 200.326 0.954 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000309639956 173346858 /nfs/dbraw/zinc/34/68/58/173346858.db2.gz OHFTUKAVGLCKLN-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP C[NH2+]CCCN1CC[NH+](CC2CC2)CC1 ZINC000042491052 173347161 /nfs/dbraw/zinc/34/71/61/173347161.db2.gz GNVJZJMFWFEFGO-UHFFFAOYSA-N 2 0 211.353 0.624 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000131620681 173347726 /nfs/dbraw/zinc/34/77/26/173347726.db2.gz HXIWFQZGAAQIGD-WOPDTQHZSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000375287333 173348095 /nfs/dbraw/zinc/34/80/95/173348095.db2.gz NSFMQADVEXVNEY-NSHDSACASA-N 2 0 227.352 0.492 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000373863316 173348202 /nfs/dbraw/zinc/34/82/02/173348202.db2.gz QNLADJSUHQZUEC-ZYHUDNBSSA-N 2 0 225.336 0.102 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000375285197 173348247 /nfs/dbraw/zinc/34/82/47/173348247.db2.gz BCTGQQGOLHGPSE-SNVBAGLBSA-N 2 0 213.325 0.244 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000228095059 173352245 /nfs/dbraw/zinc/35/22/45/173352245.db2.gz QNWOJIFZDBPYKU-GFCCVEGCSA-N 2 0 235.331 0.673 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000234356084 173352276 /nfs/dbraw/zinc/35/22/76/173352276.db2.gz TZHKHEKMYLZZSB-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000069803106 173352284 /nfs/dbraw/zinc/35/22/84/173352284.db2.gz ASQUMYVRPODIAX-LLVKDONJSA-N 2 0 221.304 0.364 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000246698471 173362639 /nfs/dbraw/zinc/36/26/39/173362639.db2.gz WAYIDDJVMCZYIP-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245467974 173362664 /nfs/dbraw/zinc/36/26/64/173362664.db2.gz SRNOAJDSBCWREZ-MNOVXSKESA-N 2 0 225.336 0.149 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000357356577 173362760 /nfs/dbraw/zinc/36/27/60/173362760.db2.gz RJEZHXYIBJOLAV-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000226394638 173363111 /nfs/dbraw/zinc/36/31/11/173363111.db2.gz MDPIFUYNFITDKD-ZJUUUORDSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000092135809 173363302 /nfs/dbraw/zinc/36/33/02/173363302.db2.gz UTVYDUYWWOOOBS-NEPJUHHUSA-N 2 0 243.395 0.934 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000092133862 173363436 /nfs/dbraw/zinc/36/34/36/173363436.db2.gz VUXIEMUGYLVDPV-MNOVXSKESA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000226394650 173363509 /nfs/dbraw/zinc/36/35/09/173363509.db2.gz MDPIFUYNFITDKD-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000092132820 173363617 /nfs/dbraw/zinc/36/36/17/173363617.db2.gz AXNCPKAZJCHMCE-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]([NH3+])CC(C)C ZINC000237313972 173364058 /nfs/dbraw/zinc/36/40/58/173364058.db2.gz VWFZEHNAWYDZQI-NXEZZACHSA-N 2 0 215.341 0.332 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(CC(=O)NC(C)(C)C)C1 ZINC000040601199 173367573 /nfs/dbraw/zinc/36/75/73/173367573.db2.gz HDJQJUUKWFZYGU-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000357356579 173373664 /nfs/dbraw/zinc/37/36/64/173373664.db2.gz RJEZHXYIBJOLAV-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000237317082 173373824 /nfs/dbraw/zinc/37/38/24/173373824.db2.gz RPGXZIJBPIOUMU-NEPJUHHUSA-N 2 0 241.379 0.690 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000336522116 173373991 /nfs/dbraw/zinc/37/39/91/173373991.db2.gz SYRYPTAJKZVSHZ-WCQYABFASA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000375936007 173374032 /nfs/dbraw/zinc/37/40/32/173374032.db2.gz YKZVBHHWALOWFW-DCAQKATOSA-N 2 0 225.336 0.052 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000092135805 173374077 /nfs/dbraw/zinc/37/40/77/173374077.db2.gz UTVYDUYWWOOOBS-RYUDHWBXSA-N 2 0 243.395 0.934 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245467975 173374151 /nfs/dbraw/zinc/37/41/51/173374151.db2.gz SRNOAJDSBCWREZ-QWRGUYRKSA-N 2 0 225.336 0.149 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000237338662 173374730 /nfs/dbraw/zinc/37/47/30/173374730.db2.gz WEABQDWJZFRUEF-QWRGUYRKSA-N 2 0 243.395 0.934 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000237343343 173374788 /nfs/dbraw/zinc/37/47/88/173374788.db2.gz UQURVVVLVSSZHV-JQWIXIFHSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000092133321 173374947 /nfs/dbraw/zinc/37/49/47/173374947.db2.gz UQXFLEHCHIZRGR-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CSCN2)C1 ZINC000237301913 173378539 /nfs/dbraw/zinc/37/85/39/173378539.db2.gz ITSUCPBLBRJGCJ-ZJUUUORDSA-N 2 0 243.376 0.107 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)COC)C1 ZINC000053199456 173379269 /nfs/dbraw/zinc/37/92/69/173379269.db2.gz PHXWYSLJSOAZLF-WDEREUQCSA-N 2 0 200.326 0.953 20 0 BCADRP C[NH2+]C[C@H]1CCN(CC(=O)N(C)C2CC2)C1 ZINC000070800185 173380408 /nfs/dbraw/zinc/38/04/08/173380408.db2.gz WBIXOLKTPADEBC-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CCCN2CCOCC2)C1 ZINC000053030923 173380478 /nfs/dbraw/zinc/38/04/78/173380478.db2.gz ABDUDCCQWKGKOF-CYBMUJFWSA-N 2 0 241.379 0.250 20 0 BCADRP C[NH2+]C[C@H]1CCN(CC(=O)N[C@H](C)C(C)C)C1 ZINC000071147472 173380525 /nfs/dbraw/zinc/38/05/25/173380525.db2.gz RQGXULMLOUEPOI-VXGBXAGGSA-N 2 0 241.379 0.688 20 0 BCADRP C[NH2+]C[C@H]1CCN(CC(=O)NC(C)(C)C)C1 ZINC000070799881 173380690 /nfs/dbraw/zinc/38/06/90/173380690.db2.gz RMBLBWKLNLALHP-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]C[C@H]1CCN(CC(=O)N2CCCCC2)C1 ZINC000071147554 173381002 /nfs/dbraw/zinc/38/10/02/173381002.db2.gz HFEIIFZHMYEMEP-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000053034000 173381729 /nfs/dbraw/zinc/38/17/29/173381729.db2.gz OIHOJSJBYBJDDH-NEPJUHHUSA-N 2 0 212.337 0.954 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000368563856 173446261 /nfs/dbraw/zinc/44/62/61/173446261.db2.gz WJEIHNAPWHBUSE-OPRDCNLKSA-N 2 0 213.325 0.099 20 0 BCADRP COC(C)(C)[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000300970944 173949587 /nfs/dbraw/zinc/94/95/87/173949587.db2.gz JFWNWGHNTXQCQF-LLVKDONJSA-N 2 0 232.368 0.968 20 0 BCADRP COCCCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309037637 174179899 /nfs/dbraw/zinc/17/98/99/174179899.db2.gz JDPCAFKVLZJVOZ-VXGBXAGGSA-N 2 0 212.337 0.954 20 0 BCADRP COCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336713402 174193747 /nfs/dbraw/zinc/19/37/47/174193747.db2.gz VMGVLLFAKOFIPM-NWDGAFQWSA-N 2 0 212.337 0.954 20 0 BCADRP COCCC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000363254058 174233703 /nfs/dbraw/zinc/23/37/03/174233703.db2.gz XKVOVMHDKZSDNH-CYBMUJFWSA-N 2 0 242.363 0.677 20 0 BCADRP COCC[N@H+](C)CCCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000192098188 174276396 /nfs/dbraw/zinc/27/63/96/174276396.db2.gz CUTHTIWRNSBMQE-QWRGUYRKSA-N 2 0 245.367 0.054 20 0 BCADRP COCC[NH+](CCOC)C[C@@H]1CCC[NH2+]C1 ZINC000042442984 174295971 /nfs/dbraw/zinc/29/59/71/174295971.db2.gz FIBZWEATEYEPTN-GFCCVEGCSA-N 2 0 230.352 0.581 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)[NH3+] ZINC000669585469 487630875 /nfs/dbraw/zinc/63/08/75/487630875.db2.gz PWQUYHQNVNZRSF-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H](CC(=O)NCC(C)(C)[NH3+])[C@H]1CCC[NH2+]C1 ZINC000237406589 175641852 /nfs/dbraw/zinc/64/18/52/175641852.db2.gz ZLJLOFWVGPKSRI-QWRGUYRKSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000375933281 175704221 /nfs/dbraw/zinc/70/42/21/175704221.db2.gz JFFDGADVKAETFR-WCFLWFBJSA-N 2 0 247.342 0.535 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973549 175704438 /nfs/dbraw/zinc/70/44/38/175704438.db2.gz MUZHRFPJDMIHDO-NWDGAFQWSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000364470339 175709291 /nfs/dbraw/zinc/70/92/91/175709291.db2.gz WNKYUMSASUGYQE-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](CNC(=O)C1(C[NH3+])CCCC1)[NH+](C)C ZINC000045108007 175721599 /nfs/dbraw/zinc/72/15/99/175721599.db2.gz PNLOHDJSSCHNGU-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000365094235 175795989 /nfs/dbraw/zinc/79/59/89/175795989.db2.gz NPGSRABAVLCKOQ-YWVKMMECSA-N 2 0 211.309 0.064 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N(C)CC(C)(C)C[NH3+] ZINC000336728164 175804519 /nfs/dbraw/zinc/80/45/19/175804519.db2.gz CJAHDBRCQQRXFI-SECBINFHSA-N 2 0 215.341 0.557 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000237677233 176071227 /nfs/dbraw/zinc/07/12/27/176071227.db2.gz NGLFDRFUYDCOEM-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]1CCN(CC2(C[NH3+])CC2)C[C@@H]1C[NH3+] ZINC000331366507 176167842 /nfs/dbraw/zinc/16/78/42/176167842.db2.gz DFKSQRLSPBOTJQ-MNOVXSKESA-N 2 0 211.353 0.642 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000333627403 176161086 /nfs/dbraw/zinc/16/10/86/176161086.db2.gz SIQJTPGYWAPOAE-UTUOFQBUSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NCc1cnc2cnccn12 ZINC000333094974 176186434 /nfs/dbraw/zinc/18/64/34/176186434.db2.gz CZTICOHMSCESEG-ZYHUDNBSSA-N 2 0 245.330 0.817 20 0 BCADRP C[C@@H]1CCNC[C@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000332634740 176186601 /nfs/dbraw/zinc/18/66/01/176186601.db2.gz ZZPVZSQWFMLWNN-SUZMYJTESA-N 2 0 234.347 0.855 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCn3ccnc3C2)C1 ZINC000127166500 176186611 /nfs/dbraw/zinc/18/66/11/176186611.db2.gz WHTWQCWPAOGIQG-GHMZBOCLSA-N 2 0 248.330 0.613 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000126124028 176187231 /nfs/dbraw/zinc/18/72/31/176187231.db2.gz WTXGSKGCDXAJCA-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC(C)(C)[NH+](C)C)C1 ZINC000126903300 176187410 /nfs/dbraw/zinc/18/74/10/176187410.db2.gz YZOBHOSLXBPJLL-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCC[NH3+] ZINC000357805429 176198854 /nfs/dbraw/zinc/19/88/54/176198854.db2.gz XQKFTPQIVAPHGT-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]1CC[C@@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000129487037 176213185 /nfs/dbraw/zinc/21/31/85/176213185.db2.gz NZUFDAIEXANKGH-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H]1CN(C(=O)CC2(C[NH3+])CC2)[C@H](C)C[NH2+]1 ZINC000335157072 176244587 /nfs/dbraw/zinc/24/45/87/176244587.db2.gz PPNLYLKZBONPDL-NXEZZACHSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)[C@H](C)C[NH2+]1 ZINC000356343312 176247842 /nfs/dbraw/zinc/24/78/42/176247842.db2.gz JYIKJYCETVDRBY-MXWKQRLJSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000333634351 176252163 /nfs/dbraw/zinc/25/21/63/176252163.db2.gz HECXRELEXXXQQQ-GHMZBOCLSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C[C@@H]1[NH3+] ZINC000333515984 176254712 /nfs/dbraw/zinc/25/47/12/176254712.db2.gz GCDYPYGMBXQASW-DBIOUOCHSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@H](C)C[NH2+]1 ZINC000356371887 176255233 /nfs/dbraw/zinc/25/52/33/176255233.db2.gz HHSCLEIEYKYYCB-GWOFURMSSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](CO)O1 ZINC000340420807 176268215 /nfs/dbraw/zinc/26/82/15/176268215.db2.gz ZIRJAKPKAYOLEH-VOAKCMCISA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CC[C@H](CO)O1 ZINC000340420808 176269190 /nfs/dbraw/zinc/26/91/90/176269190.db2.gz ZIRJAKPKAYOLEH-XQHKEYJVSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CC[NH+](C)C ZINC000362877200 176271443 /nfs/dbraw/zinc/27/14/43/176271443.db2.gz RZJVMQKHTCSWBW-MNOVXSKESA-N 2 0 227.352 0.204 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000341211604 176271786 /nfs/dbraw/zinc/27/17/86/176271786.db2.gz OQRQOELTDFZCQL-PWSUYJOCSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000362498297 176272378 /nfs/dbraw/zinc/27/23/78/176272378.db2.gz LLIMYRNIYVSNCS-VWYCJHECSA-N 2 0 227.352 0.250 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC(=O)N(C)C ZINC000037751909 176278691 /nfs/dbraw/zinc/27/86/91/176278691.db2.gz KDNWHEHKQPFKGQ-UTUOFQBUSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H](O)C[NH+](C)C ZINC000361232272 176280531 /nfs/dbraw/zinc/28/05/31/176280531.db2.gz XXNMEYNELWPRSA-FDYHWXHSSA-N 2 0 243.395 0.227 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCO ZINC000305067905 176298060 /nfs/dbraw/zinc/29/80/60/176298060.db2.gz JQVVKRBKMXNELM-FRRDWIJNSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000111263917 176329107 /nfs/dbraw/zinc/32/91/07/176329107.db2.gz QBVGUIGTEPRFEH-NEPJUHHUSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000111263921 176330017 /nfs/dbraw/zinc/33/00/17/176330017.db2.gz QBVGUIGTEPRFEH-VXGBXAGGSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CC[NH3+])C1 ZINC000237463983 176360537 /nfs/dbraw/zinc/36/05/37/176360537.db2.gz HYARGWQAQNKOSB-VXGBXAGGSA-N 2 0 241.379 0.819 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH3+])CC[N@@H+]1C ZINC000132923468 176372891 /nfs/dbraw/zinc/37/28/91/176372891.db2.gz GWTDEJXCYCNVQR-BDAKNGLRSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C[NH2+]CC2CC2)CC[N@@H+]1C ZINC000132955563 176372908 /nfs/dbraw/zinc/37/29/08/176372908.db2.gz IYRMOWSMMIUCEY-PWSUYJOCSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC[NH2+]1 ZINC000367992796 176374012 /nfs/dbraw/zinc/37/40/12/176374012.db2.gz FTYSWMGTGZFMSW-WISYIIOYSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)N(C)CC[NH3+])C[N@@H+]1C1CC1 ZINC000331747658 176374434 /nfs/dbraw/zinc/37/44/34/176374434.db2.gz DVTVZQKHCJHVFT-NXEZZACHSA-N 2 0 240.351 0.212 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)CCO1 ZINC000359322364 176374844 /nfs/dbraw/zinc/37/48/44/176374844.db2.gz MXUZCVLYVGGUDQ-NEPJUHHUSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCO2)CC[N@@H+]1C ZINC000128064402 176375898 /nfs/dbraw/zinc/37/58/98/176375898.db2.gz XZMRGPZWUMIJBC-FRRDWIJNSA-N 2 0 241.379 0.389 20 0 BCADRP C[C@@H]1C[C@H]1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000309820937 176439425 /nfs/dbraw/zinc/43/94/25/176439425.db2.gz WHQIOSCZBXCVMA-YPMHNXCESA-N 2 0 226.364 0.936 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000289315368 176501687 /nfs/dbraw/zinc/50/16/87/176501687.db2.gz UDKYKRCNECYJLL-RAIGVLPGSA-N 2 0 247.342 0.505 20 0 BCADRP C[C@@]1(C(=O)N[C@@H]2CCC[NH2+]C2)CCCC[NH2+]1 ZINC000237513922 176526273 /nfs/dbraw/zinc/52/62/73/176526273.db2.gz PFBIFGWMVPGZHQ-PWSUYJOCSA-N 2 0 225.336 0.387 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000375912755 176655580 /nfs/dbraw/zinc/65/55/80/176655580.db2.gz QYUFKTBRTSSEFQ-WOPDTQHZSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000367652409 176655740 /nfs/dbraw/zinc/65/57/40/176655740.db2.gz DBAGOHWOSZXFDL-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@]12C[NH2+]C[C@H]1CCCC2 ZINC000357258656 176661516 /nfs/dbraw/zinc/66/15/16/176661516.db2.gz RQSJMCCWSIOTRS-FOGDFJRCSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H](C)C[NH3+] ZINC000044806162 176665450 /nfs/dbraw/zinc/66/54/50/176665450.db2.gz UCIVEVHYWBZIKI-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000111612220 176754432 /nfs/dbraw/zinc/75/44/32/176754432.db2.gz MECIPDXGQBOQNT-UWVGGRQHSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@]12C[NH2+]C[C@H]1CCCC2 ZINC000357035928 176758903 /nfs/dbraw/zinc/75/89/03/176758903.db2.gz IXZXXWJTAZNQTF-LOWVWBTDSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000357035922 176759009 /nfs/dbraw/zinc/75/90/09/176759009.db2.gz IXZXXWJTAZNQTF-DMDPSCGWSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)[C@H](C)[NH3+] ZINC000367285218 176763589 /nfs/dbraw/zinc/76/35/89/176763589.db2.gz CCYOVYZXHLGNCA-MDZLAQPJSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)[NH3+] ZINC000237508591 177075352 /nfs/dbraw/zinc/07/53/52/177075352.db2.gz NGLFDRFUYDCOEM-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[NH3+])C1 ZINC000237574342 177096427 /nfs/dbraw/zinc/09/64/27/177096427.db2.gz SUNWDXLOMJLERG-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]1CCC[N@H+](CCCCNC(=O)CC[NH3+])C1 ZINC000237574794 177097498 /nfs/dbraw/zinc/09/74/98/177097498.db2.gz FJXWMIIHQUZUHF-LBPRGKRZSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C1([NH3+])CC1 ZINC000353575899 177117903 /nfs/dbraw/zinc/11/79/03/177117903.db2.gz GAUHKCQCDGERLP-PHIMTYICSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H]1CCN(C(=O)CCC[NH3+])[C@H](C[NH3+])C1 ZINC000340159792 177147468 /nfs/dbraw/zinc/14/74/68/177147468.db2.gz KPSDZBQDRGSXOZ-UWVGGRQHSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@H]1CCN(CC2(C[NH3+])CC2)C[C@@H]1C[NH3+] ZINC000331366508 177158577 /nfs/dbraw/zinc/15/85/77/177158577.db2.gz DFKSQRLSPBOTJQ-QWRGUYRKSA-N 2 0 211.353 0.642 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000126064502 177175213 /nfs/dbraw/zinc/17/52/13/177175213.db2.gz YSGXBMQDMIIACC-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](C[NH+](C)C)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000346229978 177199536 /nfs/dbraw/zinc/19/95/36/177199536.db2.gz SUGRZBMCZUUYGI-WOPDTQHZSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CC1(C[NH3+])CC1 ZINC000335157077 177213792 /nfs/dbraw/zinc/21/37/92/177213792.db2.gz PPNLYLKZBONPDL-VHSXEESVSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)C[NH2+]1 ZINC000336519613 177213931 /nfs/dbraw/zinc/21/39/31/177213931.db2.gz LUUUHMISXXZGEF-QWRGUYRKSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]1CN(C(=O)C[NH2+]CC2CC2)[C@@H](C)C[NH2+]1 ZINC000356371365 177216822 /nfs/dbraw/zinc/21/68/22/177216822.db2.gz GPNXJZVILREXQI-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCn2ccnc2C1 ZINC000362782110 177233771 /nfs/dbraw/zinc/23/37/71/177233771.db2.gz PRTIZROTJHVFBM-QWRGUYRKSA-N 2 0 248.330 0.423 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cnccn1 ZINC000341889404 177234282 /nfs/dbraw/zinc/23/42/82/177234282.db2.gz RPKSFMHKWCQLCW-WCQYABFASA-N 2 0 234.347 0.949 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000336778658 177234896 /nfs/dbraw/zinc/23/48/96/177234896.db2.gz LXWNTKSMSLDCTP-CMPLNLGQSA-N 2 0 222.336 0.882 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+](C)C1CC1 ZINC000362615720 177234976 /nfs/dbraw/zinc/23/49/76/177234976.db2.gz JDIGBEVRYXCMIW-JQWIXIFHSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@H](CC[NH+](C)C)N[C@H]1C[N@H+](C)C[C@@H]1C ZINC000336752442 177236820 /nfs/dbraw/zinc/23/68/20/177236820.db2.gz GWINDRADFMBPPB-TUAOUCFPSA-N 2 0 213.369 0.866 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)CC[NH3+] ZINC000331747276 177240265 /nfs/dbraw/zinc/24/02/65/177240265.db2.gz DQQJYCPQHCJWNC-ONGXEEELSA-N 2 0 240.351 0.069 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000357236384 177242825 /nfs/dbraw/zinc/24/28/25/177242825.db2.gz CVMZDWAVLXKZCK-WCABBAIRSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H]1CN(CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC000108357044 177246330 /nfs/dbraw/zinc/24/63/30/177246330.db2.gz HESIQTFRXVCZCY-NSHDSACASA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000037482550 177313732 /nfs/dbraw/zinc/31/37/32/177313732.db2.gz XJFYXRDCBCSBDN-BETUJISGSA-N 2 0 225.380 0.870 20 0 BCADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C[NH3+])C1 ZINC000237637418 177313895 /nfs/dbraw/zinc/31/38/95/177313895.db2.gz IRWXSEILVWLIKV-PHIMTYICSA-N 2 0 227.352 0.429 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1CC(=O)N1CCCC1 ZINC000126970918 177323439 /nfs/dbraw/zinc/32/34/39/177323439.db2.gz ILFXCGQEXMTQMK-QWRGUYRKSA-N 2 0 225.336 0.278 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC1CC[NH2+]CC1 ZINC000335605243 177323731 /nfs/dbraw/zinc/32/37/31/177323731.db2.gz HTQPASBDBAWNGE-JQWIXIFHSA-N 3 0 211.353 0.655 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCCn2ccnn2)CC[N@@H+]1C ZINC000126488386 177368769 /nfs/dbraw/zinc/36/87/69/177368769.db2.gz VUBMUPVRGAHKPN-NWDGAFQWSA-N 2 0 237.351 0.741 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000368553825 177395710 /nfs/dbraw/zinc/39/57/10/177395710.db2.gz AGFXDNPAYUHYIL-GRYCIOLGSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000377560130 177395913 /nfs/dbraw/zinc/39/59/13/177395913.db2.gz DFPAMVDNCRQUPE-DDHJBXDOSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000367378729 177396136 /nfs/dbraw/zinc/39/61/36/177396136.db2.gz UNCDFXIMHULFCR-MWLCHTKSSA-N 2 0 225.336 0.147 20 0 BCADRP C[C@H]1OCC[N@H+](CCn2ccnc2)[C@@H]1C ZINC000162281314 177398040 /nfs/dbraw/zinc/39/80/40/177398040.db2.gz SPIDKFMSBCAZPH-GHMZBOCLSA-N 2 0 209.293 0.992 20 0 BCADRP C[N@@H+]1CCN(C[C@@H]2CC[NH2+]C2)CC1(C)C ZINC000082483740 487639755 /nfs/dbraw/zinc/63/97/55/487639755.db2.gz RMIBTMJFYUEESC-LLVKDONJSA-N 2 0 211.353 0.622 20 0 BCADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000167659829 487641358 /nfs/dbraw/zinc/64/13/58/487641358.db2.gz KTQCAYYXICGKOY-NEPJUHHUSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@H]([NH3+])C1CCC1)c1ccccc1 ZINC000422534229 224858145 /nfs/dbraw/zinc/85/81/45/224858145.db2.gz ALPIZHDUCZSSLK-QWHCGFSZSA-N 2 0 247.342 0.930 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000470188654 225055155 /nfs/dbraw/zinc/05/51/55/225055155.db2.gz SPEAVMQJCKTBCH-SDDRHHMPSA-N 2 0 239.363 0.809 20 0 BCADRP C[N@@H+]1CCC[C@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226014126 487643734 /nfs/dbraw/zinc/64/37/34/487643734.db2.gz GVSGZDGDCZISDY-UTUOFQBUSA-N 2 0 211.353 0.940 20 0 BCADRP CO[C@H]1C[NH+](CCCn2ccnc2)C[C@@H]1OC ZINC000488000187 225339873 /nfs/dbraw/zinc/33/98/73/225339873.db2.gz DLRQNYCYVSHSHV-RYUDHWBXSA-N 2 0 239.319 0.619 20 0 BCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000494563435 226266246 /nfs/dbraw/zinc/26/62/46/226266246.db2.gz HWDNMPNMPVKIIN-UTUOFQBUSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)CC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000494563747 226266447 /nfs/dbraw/zinc/26/64/47/226266447.db2.gz IONJSMJHOGBRNA-AAEUAGOBSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494574443 226266708 /nfs/dbraw/zinc/26/67/08/226266708.db2.gz KYXCDNCZPIJLDM-SDDRHHMPSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000494670660 226267716 /nfs/dbraw/zinc/26/77/16/226267716.db2.gz GIBODCMHAQYMQM-GMTAPVOTSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)[C@H](C)C[NH2+]1 ZINC000494704793 226268573 /nfs/dbraw/zinc/26/85/73/226268573.db2.gz UCMIIZAYEIIDEK-UTUOFQBUSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H](NC[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH2+]1 ZINC000400483737 226344764 /nfs/dbraw/zinc/34/47/64/226344764.db2.gz CSTRFOWYWHOWTK-TUAOUCFPSA-N 2 0 211.353 0.811 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000226047588 487653478 /nfs/dbraw/zinc/65/34/78/487653478.db2.gz FGDDRODDPRZQON-QWHCGFSZSA-N 2 0 241.379 0.127 20 0 BCADRP CC1(C[NH+]2CCC(O)(C[NH3+])CC2)CCC1 ZINC000335624440 487654123 /nfs/dbraw/zinc/65/41/23/487654123.db2.gz DLTVGPGBOHCIEV-UHFFFAOYSA-N 2 0 212.337 0.962 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC000335720944 487661389 /nfs/dbraw/zinc/66/13/89/487661389.db2.gz UWOOMEXHQMZJMF-VHSXEESVSA-N 2 0 225.336 0.644 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662591812 487663777 /nfs/dbraw/zinc/66/37/77/487663777.db2.gz FYFUBYFCZFCQMI-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662594002 487663796 /nfs/dbraw/zinc/66/37/96/487663796.db2.gz QJRIWXTZCYNMNQ-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662596149 487665888 /nfs/dbraw/zinc/66/58/88/487665888.db2.gz YYDGSMZKDZHVNQ-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000087618514 487672606 /nfs/dbraw/zinc/67/26/06/487672606.db2.gz QRTJRWGOXJSWFQ-GFCCVEGCSA-N 2 0 233.315 0.338 20 0 BCADRP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCCCO)C1 ZINC000639760524 487673657 /nfs/dbraw/zinc/67/36/57/487673657.db2.gz BJEJWRRQJNBZOR-LBPRGKRZSA-N 2 0 230.352 0.147 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(CO)CCCCC1 ZINC000383786602 487674025 /nfs/dbraw/zinc/67/40/25/487674025.db2.gz QEMIBADFEGIFHO-LBPRGKRZSA-N 2 0 244.379 0.584 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CC(C)(C)[NH3+] ZINC000186781212 487674867 /nfs/dbraw/zinc/67/48/67/487674867.db2.gz HRITZEGDTLZPDK-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000659444842 487681408 /nfs/dbraw/zinc/68/14/08/487681408.db2.gz AIJHEECRRALHLK-UWVGGRQHSA-N 2 0 230.356 0.234 20 0 BCADRP CC(C)[C@@H](CCO)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000384039529 487689612 /nfs/dbraw/zinc/68/96/12/487689612.db2.gz UWSBGFOYNOFCJY-CHWSQXEVSA-N 2 0 246.395 0.684 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[NH2+]CC1 ZINC000395696382 262791294 /nfs/dbraw/zinc/79/12/94/262791294.db2.gz DNAKVUSUYZHBBU-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000399523586 262838193 /nfs/dbraw/zinc/83/81/93/262838193.db2.gz PPHLRSBWSCJMMK-ZJUUUORDSA-N 2 0 215.341 0.284 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000527533877 262861502 /nfs/dbraw/zinc/86/15/02/262861502.db2.gz WXMBMYCCBCYEIW-GRYCIOLGSA-N 2 0 223.364 0.859 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000669402966 487703711 /nfs/dbraw/zinc/70/37/11/487703711.db2.gz CBAXWCNDVXTAFB-MNOVXSKESA-N 2 0 240.351 0.117 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000669403064 487703750 /nfs/dbraw/zinc/70/37/50/487703750.db2.gz HFRPKSRLMIJVLT-MNOVXSKESA-N 2 0 240.351 0.213 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000353423243 487703984 /nfs/dbraw/zinc/70/39/84/487703984.db2.gz COIQECNTXWANKJ-BJDJZHNGSA-N 2 0 239.363 0.761 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000669403071 487704148 /nfs/dbraw/zinc/70/41/48/487704148.db2.gz HPMRYAWBMJUJGO-GHMZBOCLSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@H]1CN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC000669403345 487705409 /nfs/dbraw/zinc/70/54/09/487705409.db2.gz WADWGACERJHYNI-QWRGUYRKSA-N 2 0 240.351 0.084 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000669403022 487705567 /nfs/dbraw/zinc/70/55/67/487705567.db2.gz FJCSKOAKCTXQSA-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000669403338 487705966 /nfs/dbraw/zinc/70/59/66/487705966.db2.gz VULWCJYQIAMKDV-WDEREUQCSA-N 2 0 240.351 0.213 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)NCC2([NH3+])CCC2)C1 ZINC000669403054 487705910 /nfs/dbraw/zinc/70/59/10/487705910.db2.gz HCACJEJXTAXNNC-SNVBAGLBSA-N 2 0 240.351 0.261 20 0 BCADRP C[C@@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)[C@H](C)[NH3+] ZINC000669403380 487707418 /nfs/dbraw/zinc/70/74/18/487707418.db2.gz YACIAUWNPCLLHS-AEJSXWLSSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164318 487707524 /nfs/dbraw/zinc/70/75/24/487707524.db2.gz CVTQCCMQAYXZGI-YEJSDXFRSA-N 2 0 239.363 0.855 20 0 BCADRP [NH3+][C@@H](CNCC1([NH3+])CCCC1)CC(F)F ZINC000903932566 584824703 /nfs/dbraw/zinc/82/47/03/584824703.db2.gz DVLGXTZTXWTYKS-MRVPVSSYSA-N 2 0 221.295 0.830 20 0 BCADRP CC(C)(C)CC[C@H]([NH3+])CN(CC[NH3+])CCO ZINC000904354562 584870384 /nfs/dbraw/zinc/87/03/84/584870384.db2.gz CNAYCXBBEFPSDT-NSHDSACASA-N 2 0 231.384 0.393 20 0 BCADRP CN(C(=O)CC(C)(C)[NH3+])C1CC[NH+](C)CC1 ZINC000082771570 487728596 /nfs/dbraw/zinc/72/85/96/487728596.db2.gz GEFJPHHTIRNZKT-UHFFFAOYSA-N 2 0 227.352 0.666 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000226394236 487729891 /nfs/dbraw/zinc/72/98/91/487729891.db2.gz OGLVTAHWERCLCI-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000082772385 487731618 /nfs/dbraw/zinc/73/16/18/487731618.db2.gz BIQOKXUDSIOITM-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH2+]CC2)C1 ZINC000042361719 487734197 /nfs/dbraw/zinc/73/41/97/487734197.db2.gz LXVIXVSCNVVEFL-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])[N@H+](C)C1CC1 ZINC000226398384 487734876 /nfs/dbraw/zinc/73/48/76/487734876.db2.gz SOUXLMIZMYMHKR-WCQGTBRESA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H](C)CC[NH+](C)C ZINC000049559752 487739121 /nfs/dbraw/zinc/73/91/21/487739121.db2.gz SWSTWIVJKBJDHY-SNVBAGLBSA-N 2 0 215.341 0.441 20 0 BCADRP Cn1cc(CC[NH+]2CCC(C[NH3+])CC2)cn1 ZINC000226417313 487739654 /nfs/dbraw/zinc/73/96/54/487739654.db2.gz OIFKWIXCXIYSBZ-UHFFFAOYSA-N 2 0 222.336 0.633 20 0 BCADRP COC[C@@H](C)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000163537999 487743737 /nfs/dbraw/zinc/74/37/37/487743737.db2.gz RKOPQAJTDIKKOP-LBPRGKRZSA-N 2 0 229.368 0.106 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH2+]C)C1 ZINC000659505128 487744886 /nfs/dbraw/zinc/74/48/86/487744886.db2.gz PWMDFNKHJQEFLY-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC1)[NH+](C)C ZINC000681202036 487746244 /nfs/dbraw/zinc/74/62/44/487746244.db2.gz HOMBBCXTVJFFND-JTQLQIEISA-N 2 0 227.352 0.489 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000390515410 487754269 /nfs/dbraw/zinc/75/42/69/487754269.db2.gz CSYOIBBFYQDXOP-XKNYDFJKSA-N 2 0 213.325 0.356 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@](C)(O)C1 ZINC000390617963 487759038 /nfs/dbraw/zinc/75/90/38/487759038.db2.gz DNJIXOSNMUTUJI-RYUDHWBXSA-N 2 0 230.352 0.144 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]([NH3+])CC(C)C ZINC000120948194 487762920 /nfs/dbraw/zinc/76/29/20/487762920.db2.gz KMMJWSMEBFSUNK-SECBINFHSA-N 2 0 201.314 0.086 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000674286529 487777171 /nfs/dbraw/zinc/77/71/71/487777171.db2.gz ZOUBWYLGFIRDEO-SRVKXCTJSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000674286528 487777314 /nfs/dbraw/zinc/77/73/14/487777314.db2.gz ZOUBWYLGFIRDEO-SDDRHHMPSA-N 2 0 239.363 0.680 20 0 BCADRP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000668462535 487786187 /nfs/dbraw/zinc/78/61/87/487786187.db2.gz HVIPBMBBACJUIS-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322407110 487797348 /nfs/dbraw/zinc/79/73/48/487797348.db2.gz XNANXFWVIWPALU-WAAKLRNESA-N 2 0 239.363 0.855 20 0 BCADRP C[C@@]1(C(N)=O)CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000300528611 487808150 /nfs/dbraw/zinc/80/81/50/487808150.db2.gz GZDIHWDUHQETOA-DGCLKSJQSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000156180949 487822290 /nfs/dbraw/zinc/82/22/90/487822290.db2.gz BOQWGIUCZKUCCW-QCNOEVLYSA-N 2 0 239.363 0.700 20 0 BCADRP CO[C@]1(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)CCOC1 ZINC000229120343 487822598 /nfs/dbraw/zinc/82/25/98/487822598.db2.gz IMQXUQKSDLYBRK-STQMWFEESA-N 2 0 242.363 0.723 20 0 BCADRP CCC[C@@]1(CO)CCC[N@@H+]1CCC[NH3+] ZINC000414759077 487822692 /nfs/dbraw/zinc/82/26/92/487822692.db2.gz NPKYPIIRPLQJQY-NSHDSACASA-N 2 0 200.326 0.962 20 0 BCADRP Cc1ccc(C[NH2+]CCCN2CC[NH2+]CC2)cn1 ZINC000414787550 487824113 /nfs/dbraw/zinc/82/41/13/487824113.db2.gz YZULGMAEJSEXGA-UHFFFAOYSA-N 2 0 248.374 0.775 20 0 BCADRP CO[C@H](C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000224176767 487824914 /nfs/dbraw/zinc/82/49/14/487824914.db2.gz BQKNDCFZTSLPEX-MNOVXSKESA-N 2 0 216.325 0.068 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)[NH+](C)C ZINC000252614577 487827672 /nfs/dbraw/zinc/82/76/72/487827672.db2.gz YGPYVFZHTPLTRH-LPEHRKFASA-N 2 0 213.325 0.051 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000565892209 322947775 /nfs/dbraw/zinc/94/77/75/322947775.db2.gz ABXAORJGGPZFBB-VHSXEESVSA-N 2 0 235.331 0.745 20 0 BCADRP COC[C@@H](C)NC(=[NH2+])NCCCC[NH+](C)C ZINC000848990097 588426553 /nfs/dbraw/zinc/42/65/53/588426553.db2.gz YPDPPUBUSBRSHU-SNVBAGLBSA-N 2 0 230.356 0.477 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@H+](C)CCCCCC[NH3+] ZINC000872155340 589885649 /nfs/dbraw/zinc/88/56/49/589885649.db2.gz JLFUYJSTURCPAK-LBPRGKRZSA-N 3 0 231.384 0.408 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000089741564 487850553 /nfs/dbraw/zinc/85/05/53/487850553.db2.gz XVWGKVRTZPKVRE-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000089747950 487851754 /nfs/dbraw/zinc/85/17/54/487851754.db2.gz OIZXCGDLWPIHQK-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000253150082 487856437 /nfs/dbraw/zinc/85/64/37/487856437.db2.gz DQODFOPTIOEVDE-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP COC1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CCC1 ZINC000234718731 487866055 /nfs/dbraw/zinc/86/60/55/487866055.db2.gz ZAIQXHLGVFRLSG-LBPRGKRZSA-N 2 0 242.363 0.602 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H](C)C[NH3+])CC[NH2+]1 ZINC000309369665 487875635 /nfs/dbraw/zinc/87/56/35/487875635.db2.gz BULCQTKRWQNNBY-NXEZZACHSA-N 2 0 213.325 0.038 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000564938037 322969601 /nfs/dbraw/zinc/96/96/01/322969601.db2.gz RPEDVJYVUCKBRH-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659547933 487892086 /nfs/dbraw/zinc/89/20/86/487892086.db2.gz DWYJVXRAPYBJAV-MXWKQRLJSA-N 2 0 242.367 0.493 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)NCC1([NH3+])CCCC1 ZINC000659547839 487892109 /nfs/dbraw/zinc/89/21/09/487892109.db2.gz FANAXLPKKZPQCE-IUCAKERBSA-N 2 0 228.340 0.293 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC/C=C/C[NH3+] ZINC000669451474 487896295 /nfs/dbraw/zinc/89/62/95/487896295.db2.gz KXBMTGNGWLKLOI-QRGHLMKCSA-N 2 0 242.367 0.531 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655516258 487898221 /nfs/dbraw/zinc/89/82/21/487898221.db2.gz QVSAXWDXUXLMSW-PHDIDXHHSA-N 2 0 227.230 0.120 20 0 BCADRP CC[NH+](CC)CCNC(=O)N(C)CC[NH2+]C ZINC000416803715 487910401 /nfs/dbraw/zinc/91/04/01/487910401.db2.gz VSNQOXFTAMXTSK-UHFFFAOYSA-N 2 0 230.356 0.189 20 0 BCADRP CC[NH+]1CCC(NC[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000666946895 487910989 /nfs/dbraw/zinc/91/09/89/487910989.db2.gz SNOLSUJYZSEJHB-JQWIXIFHSA-N 2 0 229.343 0.760 20 0 BCADRP CC(C)NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404294105 487917209 /nfs/dbraw/zinc/91/72/09/487917209.db2.gz MSFPYHLFPRKFHO-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404294101 487917421 /nfs/dbraw/zinc/91/74/21/487917421.db2.gz MSFPYHLFPRKFHO-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000157711139 487919041 /nfs/dbraw/zinc/91/90/41/487919041.db2.gz GHFKCESTZHXXMK-NXEZZACHSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000309403665 487921122 /nfs/dbraw/zinc/92/11/22/487921122.db2.gz HTVVDRJCURULCN-QXEWZRGKSA-N 2 0 213.325 0.357 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCC(C)(C)[NH3+] ZINC000417300642 487923491 /nfs/dbraw/zinc/92/34/91/487923491.db2.gz OVOPRJLQWSFBPR-SNVBAGLBSA-N 2 0 244.383 0.753 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[NH2+]CC1 ZINC000417304441 487923809 /nfs/dbraw/zinc/92/38/09/487923809.db2.gz UIRVJFQSXSDILZ-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP C[NH2+]C[C@](C)(O)CN(C)CC[NH+]1CCCCC1 ZINC000652363732 487933121 /nfs/dbraw/zinc/93/31/21/487933121.db2.gz MLUXBGMLFIWDIH-ZDUSSCGKSA-N 2 0 243.395 0.375 20 0 BCADRP C[C@H]([NH3+])CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363660 487933374 /nfs/dbraw/zinc/93/33/74/487933374.db2.gz KOMNAMJLGPDRNB-RVMXOQNASA-N 3 0 241.379 0.694 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659555617 487936263 /nfs/dbraw/zinc/93/62/63/487936263.db2.gz NFJKWINZGFIEDO-BDAKNGLRSA-N 2 0 230.356 0.491 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C[NH2+]CC1CC1 ZINC000154050357 487936665 /nfs/dbraw/zinc/93/66/65/487936665.db2.gz NIEZLMPOZZNGCV-KOLCDFICSA-N 2 0 225.336 0.324 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)N(C)CC[NH2+]C ZINC000417606092 487939132 /nfs/dbraw/zinc/93/91/32/487939132.db2.gz CVZUQVSVEJZSDE-UHFFFAOYSA-N 2 0 244.383 0.579 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000659556508 487940071 /nfs/dbraw/zinc/94/00/71/487940071.db2.gz UIHZXHSWCQXIEV-GMTAPVOTSA-N 2 0 244.383 0.785 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000569364962 322964679 /nfs/dbraw/zinc/96/46/79/322964679.db2.gz FPMZZUAVXFXSBS-AATLWQCWSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000569378232 322965025 /nfs/dbraw/zinc/96/50/25/322965025.db2.gz KZVMBZCPWSQUGQ-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP O=C(C[NH2+]CC1CC1)NCCC[NH2+]C1CC1 ZINC000569458650 322966895 /nfs/dbraw/zinc/96/68/95/322966895.db2.gz NYNKYAWSTRATQC-UHFFFAOYSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C[NH3+])C1C[NH2+]C1 ZINC000566201602 322968499 /nfs/dbraw/zinc/96/84/99/322968499.db2.gz ADGLUANNCSIPPO-NHCYSSNCSA-N 2 0 239.363 0.476 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000569574462 322970773 /nfs/dbraw/zinc/97/07/73/322970773.db2.gz DMFCGNQPADVTIQ-QWRGUYRKSA-N 2 0 239.363 0.775 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000569573602 322971030 /nfs/dbraw/zinc/97/10/30/322971030.db2.gz XYWCMSBYMVPSLB-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000569604869 322972435 /nfs/dbraw/zinc/97/24/35/322972435.db2.gz COPBMGVYENNFST-WCQYABFASA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000569604868 322972477 /nfs/dbraw/zinc/97/24/77/322972477.db2.gz COPBMGVYENNFST-DGCLKSJQSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000569606571 322972651 /nfs/dbraw/zinc/97/26/51/322972651.db2.gz BOHZQKUEISMUKR-HRDYMLBCSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@H]([NH3+])c1ccc(CNC(=O)CC[NH3+])cc1 ZINC000564943726 322976377 /nfs/dbraw/zinc/97/63/77/322976377.db2.gz LHGDJVDQEKGFEH-VIFPVBQESA-N 2 0 221.304 0.671 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)C[C@@H](C)[NH2+]1 ZINC000572618926 322984217 /nfs/dbraw/zinc/98/42/17/322984217.db2.gz FLXLTDDTYSLTOH-CKYFFXLPSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1(C[NH3+])CCC1 ZINC000561195182 322996831 /nfs/dbraw/zinc/99/68/31/322996831.db2.gz BGYUYOIHEQDHHZ-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449606212 323000697 /nfs/dbraw/zinc/00/06/97/323000697.db2.gz YEIRQCOGTXOHRF-DTWKUNHWSA-N 2 0 201.314 0.180 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000566620012 323007388 /nfs/dbraw/zinc/00/73/88/323007388.db2.gz XKVLFEWUKFWBIL-KXNHARMFSA-N 2 0 237.347 0.195 20 0 BCADRP C[NH2+]CCNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000151313359 323015338 /nfs/dbraw/zinc/01/53/38/323015338.db2.gz ANLMQOXOGRDZSH-LBPRGKRZSA-N 2 0 233.315 0.209 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000562808901 323031084 /nfs/dbraw/zinc/03/10/84/323031084.db2.gz WLNBWYRPWKKGAL-VHSXEESVSA-N 2 0 225.336 0.195 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000562809528 323031196 /nfs/dbraw/zinc/03/11/96/323031196.db2.gz YFAHDVFQFCAORS-MXWKQRLJSA-N 2 0 227.352 0.618 20 0 BCADRP CCCN(C(=O)[C@H](C)C[NH2+]C)C1CC[NH2+]CC1 ZINC000163322753 323035362 /nfs/dbraw/zinc/03/53/62/323035362.db2.gz ZRONNVJZJCRGGL-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP C(CN1CC[NH2+]CC1)SCC1CC[NH2+]CC1 ZINC000564566359 323036285 /nfs/dbraw/zinc/03/62/85/323036285.db2.gz BOVYXEVZZDQXAM-UHFFFAOYSA-N 2 0 243.420 0.624 20 0 BCADRP C[N@H+](CCN1CCCC1=O)CC1CC[NH2+]CC1 ZINC000572722166 323036633 /nfs/dbraw/zinc/03/66/33/323036633.db2.gz SBPDSOGPYLRISF-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000322804343 323036710 /nfs/dbraw/zinc/03/67/10/323036710.db2.gz RINFOGGGTRFZTP-GUBZILKMSA-N 2 0 213.325 0.371 20 0 BCADRP COCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397252281 323038505 /nfs/dbraw/zinc/03/85/05/323038505.db2.gz DAGZRZMUYRSAAU-MXWKQRLJSA-N 2 0 200.326 0.938 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC000569728525 323039202 /nfs/dbraw/zinc/03/92/02/323039202.db2.gz OFTUJCYZDXTCJE-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP Cc1ncc(C[NH2+][C@@H]2CCCN(C)C2=O)n1C ZINC000569746084 323039725 /nfs/dbraw/zinc/03/97/25/323039725.db2.gz XPKHHJIVAKBOMM-LLVKDONJSA-N 2 0 236.319 0.439 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)N(C)CCC[NH+](C)C ZINC000569794178 323040842 /nfs/dbraw/zinc/04/08/42/323040842.db2.gz DHEZPSBLKGSTLT-LLVKDONJSA-N 2 0 244.383 0.435 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOC[C@H]1CCCO1 ZINC000569821410 323041711 /nfs/dbraw/zinc/04/17/11/323041711.db2.gz FHRCZWWRHWTZOV-FRRDWIJNSA-N 2 0 242.363 0.994 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000569970155 323046149 /nfs/dbraw/zinc/04/61/49/323046149.db2.gz UBUFMGKLCMCDEY-HNCHTBHHSA-N 2 0 237.347 0.100 20 0 BCADRP C[C@]1(C(=O)N2CCC[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000570091251 323049531 /nfs/dbraw/zinc/04/95/31/323049531.db2.gz FRLPNUYKLITFAU-PWSUYJOCSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CC1(C[NH3+])CC1 ZINC000570215557 323053456 /nfs/dbraw/zinc/05/34/56/323053456.db2.gz IXBAGESASKTBDI-DTWKUNHWSA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000570398429 323058551 /nfs/dbraw/zinc/05/85/51/323058551.db2.gz AYSGANOBQROQIB-UTINFBMNSA-N 2 0 211.309 0.110 20 0 BCADRP [NH3+]CCCCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000570449851 323059853 /nfs/dbraw/zinc/05/98/53/323059853.db2.gz GBONBDOZKBYRGO-QJPTWQEYSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@]1(CN[C@H](CC[NH3+])C(F)F)CC[NH2+]C1 ZINC000570450453 323059909 /nfs/dbraw/zinc/05/99/09/323059909.db2.gz GFTBKZQEIRLYSZ-PSASIEDQSA-N 2 0 221.295 0.558 20 0 BCADRP CN(C)C(=O)C(C)(C)[NH2+]CCC1CC[NH2+]CC1 ZINC000570451388 323059960 /nfs/dbraw/zinc/05/99/60/323059960.db2.gz LZYFLYQLZURJCO-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000570507428 323061371 /nfs/dbraw/zinc/06/13/71/323061371.db2.gz BKVDSSARRSILCM-JHJVBQTASA-N 2 0 240.395 0.140 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000570570891 323063537 /nfs/dbraw/zinc/06/35/37/323063537.db2.gz JNYBEPOHZVZATO-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000570667423 323066569 /nfs/dbraw/zinc/06/65/69/323066569.db2.gz NQOJLRUOZDXSAU-GARJFASQSA-N 2 0 242.367 0.458 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000570717270 323068255 /nfs/dbraw/zinc/06/82/55/323068255.db2.gz SRAMGGUCEZSKEG-AXFHLTTASA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000570716175 323068423 /nfs/dbraw/zinc/06/84/23/323068423.db2.gz BRQKTIJJTAKTAF-HBNTYKKESA-N 2 0 244.383 0.929 20 0 BCADRP C[NH2+][C@H](C)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000570738708 323068805 /nfs/dbraw/zinc/06/88/05/323068805.db2.gz KYTMKUSYBVSMBA-NXEZZACHSA-N 2 0 227.352 0.489 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000570845475 323072563 /nfs/dbraw/zinc/07/25/63/323072563.db2.gz MPMLIEXHSQOPIY-NXEZZACHSA-N 2 0 229.368 0.994 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[C@](C)(F)C1 ZINC000572659708 323072709 /nfs/dbraw/zinc/07/27/09/323072709.db2.gz NWSIMJGKJXQGCQ-QWRGUYRKSA-N 2 0 218.316 0.733 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21)[C@H](C)[NH3+] ZINC000562976308 323077749 /nfs/dbraw/zinc/07/77/49/323077749.db2.gz AFUYFHUGNMNJLK-VPOLOUISSA-N 2 0 225.336 0.180 20 0 BCADRP CC[NH2+]CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000518775788 323081516 /nfs/dbraw/zinc/08/15/16/323081516.db2.gz VRPIJSJJAWHRKQ-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000309408443 323082078 /nfs/dbraw/zinc/08/20/78/323082078.db2.gz IEUULKQSKANFNL-RKDXNWHRSA-N 2 0 231.365 0.017 20 0 BCADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)CSC)C1 ZINC000187923570 323083833 /nfs/dbraw/zinc/08/38/33/323083833.db2.gz VSALULNGIVFOFH-NEPJUHHUSA-N 2 0 246.420 0.984 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000040503507 323089964 /nfs/dbraw/zinc/08/99/64/323089964.db2.gz SRCSQMGRXBSMRJ-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000563086451 323090516 /nfs/dbraw/zinc/09/05/16/323090516.db2.gz JTWVRLOVSCSACN-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000563087824 323091240 /nfs/dbraw/zinc/09/12/40/323091240.db2.gz SOHBDUAREJJDRL-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000563093182 323091826 /nfs/dbraw/zinc/09/18/26/323091826.db2.gz XWLSGGARISQCIE-IVZWLZJFSA-N 2 0 228.340 0.116 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)NC[C@H]1CCC[NH2+]1 ZINC000563105626 323092715 /nfs/dbraw/zinc/09/27/15/323092715.db2.gz BHXWDNUWQZVQGU-WDEREUQCSA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+]CCCCNC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000563110398 323092861 /nfs/dbraw/zinc/09/28/61/323092861.db2.gz UUNVJQUPNDMCMV-ZDUSSCGKSA-N 2 0 249.358 0.802 20 0 BCADRP [NH3+]CCCCC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000563116645 323093280 /nfs/dbraw/zinc/09/32/80/323093280.db2.gz KOLOPFMEIINKRV-WDEREUQCSA-N 2 0 227.352 0.749 20 0 BCADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000563117741 323093669 /nfs/dbraw/zinc/09/36/69/323093669.db2.gz VGQNZMVHMAIEFA-HWNAMQAFSA-N 2 0 245.326 0.654 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000563118704 323093741 /nfs/dbraw/zinc/09/37/41/323093741.db2.gz BGLDYKDQZVEBOH-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]1C[C@H](CN2CCO[C@H](C[NH3+])C2)CC[NH2+]1 ZINC000563136746 323094800 /nfs/dbraw/zinc/09/48/00/323094800.db2.gz UDLGWLOZIXGHIR-IJLUTSLNSA-N 3 0 227.352 0.034 20 0 BCADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000563150677 323095625 /nfs/dbraw/zinc/09/56/25/323095625.db2.gz VDWFXAPOICNBEF-ZDUSSCGKSA-N 3 0 240.395 0.095 20 0 BCADRP [NH3+]CCCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000563159588 323097146 /nfs/dbraw/zinc/09/71/46/323097146.db2.gz GKTPUCGJAVLCRN-NEPJUHHUSA-N 2 0 239.363 0.716 20 0 BCADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000563162140 323097911 /nfs/dbraw/zinc/09/79/11/323097911.db2.gz IMFSEFIPDCDYAG-CIQGVGRVSA-N 2 0 249.358 0.196 20 0 BCADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(CO)o1 ZINC000231676153 323101230 /nfs/dbraw/zinc/10/12/30/323101230.db2.gz VWSBHEDVCPLWMO-UHFFFAOYSA-N 2 0 242.319 0.440 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000567925300 323101446 /nfs/dbraw/zinc/10/14/46/323101446.db2.gz ITMDTTRVCJPGQB-CIUDSAMLSA-N 2 0 233.381 0.309 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000563200905 323101458 /nfs/dbraw/zinc/10/14/58/323101458.db2.gz XPOCSIUGDPEKSO-TUAOUCFPSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cncn1C ZINC000401651735 323105144 /nfs/dbraw/zinc/10/51/44/323105144.db2.gz QIIMSLKCPGIWID-YPMHNXCESA-N 2 0 236.363 0.892 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000309963883 323122642 /nfs/dbraw/zinc/12/26/42/323122642.db2.gz MPESRQUVRXMVRP-SDDRHHMPSA-N 2 0 230.352 0.456 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000309963881 323122659 /nfs/dbraw/zinc/12/26/59/323122659.db2.gz MPESRQUVRXMVRP-IJLUTSLNSA-N 2 0 230.352 0.456 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000563414823 323123313 /nfs/dbraw/zinc/12/33/13/323123313.db2.gz BHLWLAVQHFLHJA-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP CCS(=O)(=O)CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000563424350 323124041 /nfs/dbraw/zinc/12/40/41/323124041.db2.gz LRGMJKBGQHEWBL-MNOVXSKESA-N 2 0 248.392 0.671 20 0 BCADRP COc1ccnc(CN[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000563422679 323124308 /nfs/dbraw/zinc/12/43/08/323124308.db2.gz ACTAOVWJUMFKJZ-ZJUUUORDSA-N 2 0 236.319 0.845 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)CC[NH2+]C1CC1 ZINC000563410929 323124547 /nfs/dbraw/zinc/12/45/47/323124547.db2.gz RMKADEINSGGXKF-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)OC[C@@H]1CN(CCC[NH3+])CCO1 ZINC000563435862 323125504 /nfs/dbraw/zinc/12/55/04/323125504.db2.gz YHDFJQFYFIUENF-NSHDSACASA-N 2 0 216.325 0.461 20 0 BCADRP C[NH2+]CCCC(=O)N(CC[NH+](C)C)C1CC1 ZINC000563535022 323129418 /nfs/dbraw/zinc/12/94/18/323129418.db2.gz WSRFPVWNCOWBCA-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000563583052 323130486 /nfs/dbraw/zinc/13/04/86/323130486.db2.gz HUNUDUXHBZOYGV-CYBMUJFWSA-N 2 0 249.358 0.672 20 0 BCADRP C[C@@]1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CCC[NH2+]1 ZINC000563588300 323130687 /nfs/dbraw/zinc/13/06/87/323130687.db2.gz AATZYBZCDSLIRK-SCZZXKLOSA-N 2 0 247.289 0.242 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000563623553 323132198 /nfs/dbraw/zinc/13/21/98/323132198.db2.gz LCQIKESMZZJJOL-IVZWLZJFSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)C2CC2)C1 ZINC000563629834 323132604 /nfs/dbraw/zinc/13/26/04/323132604.db2.gz HFIDQKMFGMKDSJ-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[N@H+](CC3CCCC3)CCN2C1=O ZINC000563635885 323132718 /nfs/dbraw/zinc/13/27/18/323132718.db2.gz MCLLDIDUOPKOKU-NWDGAFQWSA-N 2 0 237.347 0.420 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000571084039 323134688 /nfs/dbraw/zinc/13/46/88/323134688.db2.gz ZNAHQKSSPRTDMG-BJDJZHNGSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000571084041 323134777 /nfs/dbraw/zinc/13/47/77/323134777.db2.gz ZNAHQKSSPRTDMG-FIQHERPVSA-N 2 0 241.379 0.864 20 0 BCADRP CC[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000571082969 323135110 /nfs/dbraw/zinc/13/51/10/323135110.db2.gz YVXYWIKMMZUXQV-NSHDSACASA-N 2 0 237.303 0.700 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@H](C)CCC[NH3+] ZINC000571083167 323135200 /nfs/dbraw/zinc/13/52/00/323135200.db2.gz GIFYVFBOUSSVAS-MWLCHTKSSA-N 2 0 215.341 0.748 20 0 BCADRP CC[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000571106577 323135736 /nfs/dbraw/zinc/13/57/36/323135736.db2.gz KFNGEANNPPANDH-LPEHRKFASA-N 2 0 211.309 0.029 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[NH2+]C1(C)C)[C@H](C)[NH3+] ZINC000571158142 323136956 /nfs/dbraw/zinc/13/69/56/323136956.db2.gz YCTJNMIUCCDFIC-HRDYMLBCSA-N 2 0 213.325 0.226 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](OC)C1 ZINC000571337262 323141835 /nfs/dbraw/zinc/14/18/35/323141835.db2.gz SIXOYZDNNSBSAX-WDEREUQCSA-N 2 0 216.325 0.068 20 0 BCADRP C[C@@H](CNC(=O)C1([NH3+])CCC1)[NH+]1CCCC1 ZINC000161013118 323143101 /nfs/dbraw/zinc/14/31/01/323143101.db2.gz SMVZCJRGFOXLIO-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000571560554 323147947 /nfs/dbraw/zinc/14/79/47/323147947.db2.gz NWIARLIWAIJXQA-HTQZYQBOSA-N 2 0 235.278 0.179 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000571558228 323148000 /nfs/dbraw/zinc/14/80/00/323148000.db2.gz RKDGBEGXBXQOMA-WDEREUQCSA-N 2 0 227.352 0.666 20 0 BCADRP CC[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000319460266 323149029 /nfs/dbraw/zinc/14/90/29/323149029.db2.gz BJUXXLNEOKEIFV-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000394885578 323152619 /nfs/dbraw/zinc/15/26/19/323152619.db2.gz PPJLKSIMKGTZOX-LLVKDONJSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000040921793 323158354 /nfs/dbraw/zinc/15/83/54/323158354.db2.gz JHOFEGXERBREBJ-NXEZZACHSA-N 2 0 225.336 0.467 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559616 323162435 /nfs/dbraw/zinc/16/24/35/323162435.db2.gz IBSKSKJEBVLHKB-MXWKQRLJSA-N 2 0 229.368 0.816 20 0 BCADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050457654 323170866 /nfs/dbraw/zinc/17/08/66/323170866.db2.gz BCPYNRJLQYRYNX-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000563712762 323175024 /nfs/dbraw/zinc/17/50/24/323175024.db2.gz KEBSYUXPBKEIFC-DCAQKATOSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000572869359 323176436 /nfs/dbraw/zinc/17/64/36/323176436.db2.gz RXHYVWNAAKRTTI-AXFHLTTASA-N 2 0 225.336 0.243 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000417614887 323177725 /nfs/dbraw/zinc/17/77/25/323177725.db2.gz WFIYALGGKZYEMP-MNOVXSKESA-N 2 0 244.383 0.753 20 0 BCADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2COCCN2)CC1 ZINC000530182711 323205826 /nfs/dbraw/zinc/20/58/26/323205826.db2.gz YHFPPHBBNVKZHG-ZDUSSCGKSA-N 2 0 241.379 0.437 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000399408265 323205883 /nfs/dbraw/zinc/20/58/83/323205883.db2.gz CUAYJRLUOLYHQK-UWVGGRQHSA-N 2 0 213.325 0.038 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[NH3+] ZINC000395683966 323237696 /nfs/dbraw/zinc/23/76/96/323237696.db2.gz PEUGBPMHBKBAAY-MRVPVSSYSA-N 2 0 201.314 0.086 20 0 BCADRP CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000324590350 323241967 /nfs/dbraw/zinc/24/19/67/323241967.db2.gz DMLXGWLJXOTPEJ-GHMZBOCLSA-N 2 0 214.353 0.983 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563956814 323330728 /nfs/dbraw/zinc/33/07/28/323330728.db2.gz VGLZZOHWPZAPIF-WYUUTHIRSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563956812 323330928 /nfs/dbraw/zinc/33/09/28/323330928.db2.gz VGLZZOHWPZAPIF-WHOHXGKFSA-N 2 0 237.347 0.337 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000309258612 323332944 /nfs/dbraw/zinc/33/29/44/323332944.db2.gz HFMBSBZRWGMXDJ-ZJUUUORDSA-N 2 0 213.325 0.086 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C1CC[NH2+]CC1 ZINC000309285305 323340885 /nfs/dbraw/zinc/34/08/85/323340885.db2.gz OJPKUTOEMUUIJC-JTQLQIEISA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCC[NH3+])C1 ZINC000309378259 323348980 /nfs/dbraw/zinc/34/89/80/323348980.db2.gz CYYOKYDRJGKSPA-ZJUUUORDSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000309416910 323395072 /nfs/dbraw/zinc/39/50/72/323395072.db2.gz JJAUUHMMKVEVRK-OPRDCNLKSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000571802215 323483578 /nfs/dbraw/zinc/48/35/78/323483578.db2.gz IRWRYWNMYBZYPE-HBNTYKKESA-N 2 0 227.352 0.761 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH2+]C3CC3)C[C@@H]21 ZINC000571873580 323491223 /nfs/dbraw/zinc/49/12/23/323491223.db2.gz UVQLPCOOCOBHIO-ADEWGFFLSA-N 2 0 237.347 0.324 20 0 BCADRP CSCC[C@H](CO)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000571938888 323510463 /nfs/dbraw/zinc/51/04/63/323510463.db2.gz IRPATMCVXBDBGX-OUAUKWLOSA-N 2 0 232.393 0.960 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N[C@H](C)CC[NH3+] ZINC000571984979 323517076 /nfs/dbraw/zinc/51/70/76/323517076.db2.gz RFTKXGPXDHSJPL-SNVBAGLBSA-N 2 0 230.356 0.411 20 0 BCADRP CC(C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000161713606 323561504 /nfs/dbraw/zinc/56/15/04/323561504.db2.gz NYOYUROTDZAOJG-GARJFASQSA-N 2 0 227.352 0.759 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC000041679555 487959050 /nfs/dbraw/zinc/95/90/50/487959050.db2.gz VNEFIDJBSSLNBM-SNVBAGLBSA-N 2 0 215.341 0.428 20 0 BCADRP COCCOCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397338435 324213309 /nfs/dbraw/zinc/21/33/09/324213309.db2.gz ZEDIGUHTEZIZBC-UPJWGTAASA-N 2 0 244.379 0.955 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCC(C)(C)[NH3+] ZINC000529331012 324275359 /nfs/dbraw/zinc/27/53/59/324275359.db2.gz DTFXUZZBVRDFKJ-JTQLQIEISA-N 2 0 242.367 0.363 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529350081 324276153 /nfs/dbraw/zinc/27/61/53/324276153.db2.gz NPSIALJQOFQYBX-UWVGGRQHSA-N 2 0 238.335 0.014 20 0 BCADRP CCn1nncc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000530206381 324523109 /nfs/dbraw/zinc/52/31/09/324523109.db2.gz BIZDIAKVQJUIGX-VHSXEESVSA-N 2 0 223.324 0.658 20 0 BCADRP CCn1nncc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000530212695 324529268 /nfs/dbraw/zinc/52/92/68/324529268.db2.gz SPSXSYSWQZWKBH-PWSUYJOCSA-N 2 0 237.351 0.905 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCN(C)C1=O ZINC000530217395 324533398 /nfs/dbraw/zinc/53/33/98/324533398.db2.gz GUESMERFEOYWGM-LPEHRKFASA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H](NC[C@H]1COCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000530227416 324547810 /nfs/dbraw/zinc/54/78/10/324547810.db2.gz XJAQAKCSIKHEEA-SRVKXCTJSA-N 2 0 227.352 0.095 20 0 BCADRP O=C(NCCC[NH2+]C1CC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000564215435 324826526 /nfs/dbraw/zinc/82/65/26/324826526.db2.gz YQUDTNQXECLNNP-YPMHNXCESA-N 2 0 237.347 0.244 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)C ZINC000131249505 325129999 /nfs/dbraw/zinc/12/99/99/325129999.db2.gz LGJNGUWSLXCDPW-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000131669123 325176371 /nfs/dbraw/zinc/17/63/71/325176371.db2.gz NIKCJPQFAQLWLJ-RYUDHWBXSA-N 2 0 233.315 0.035 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000131683390 325177988 /nfs/dbraw/zinc/17/79/88/325177988.db2.gz MGUVALOOWCQXOE-HBNTYKKESA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C(N)=O ZINC000134818627 325377908 /nfs/dbraw/zinc/37/79/08/325377908.db2.gz JVIYPXAKYUGWNS-UWVGGRQHSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C(N)=O ZINC000134818610 325378077 /nfs/dbraw/zinc/37/80/77/325378077.db2.gz JVIYPXAKYUGWNS-ZJUUUORDSA-N 2 0 227.352 0.428 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000564327713 325382946 /nfs/dbraw/zinc/38/29/46/325382946.db2.gz AMNSGPKHYBJIMQ-UWVGGRQHSA-N 2 0 247.408 0.701 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)COC2C[NH2+]C2)cc1 ZINC000564327880 325383378 /nfs/dbraw/zinc/38/33/78/325383378.db2.gz DJNLKHXIOQWBNL-UHFFFAOYSA-N 2 0 235.287 0.072 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000250880204 325670494 /nfs/dbraw/zinc/67/04/94/325670494.db2.gz VGZMZDLTBJJDMM-SDDRHHMPSA-N 2 0 237.347 0.420 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)NC[C@@H](C)[NH3+] ZINC000669477955 487969596 /nfs/dbraw/zinc/96/95/96/487969596.db2.gz GZBVJSROIVWJFG-SNVBAGLBSA-N 2 0 230.356 0.365 20 0 BCADRP CC[NH2+]CCC[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000564822864 325812414 /nfs/dbraw/zinc/81/24/14/325812414.db2.gz SMIQPAACAZRNEY-LLVKDONJSA-N 2 0 239.367 0.991 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[NH2+]C(C)(C)C ZINC000564929233 325827199 /nfs/dbraw/zinc/82/71/99/325827199.db2.gz KWCKWOYRUPYPEZ-DTWKUNHWSA-N 2 0 215.341 0.474 20 0 BCADRP [NH3+]CCCC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000564931466 325828141 /nfs/dbraw/zinc/82/81/41/325828141.db2.gz OSZGALCHDJQPGS-UHFFFAOYSA-N 2 0 225.336 0.327 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000564947562 325831331 /nfs/dbraw/zinc/83/13/31/325831331.db2.gz MJMXCLIOSJWHRS-WDEREUQCSA-N 2 0 225.336 0.183 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000565421225 325908983 /nfs/dbraw/zinc/90/89/83/325908983.db2.gz AEUFKCVUWDNUDK-LBPRGKRZSA-N 2 0 233.315 0.514 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N)C1 ZINC000566010519 325983916 /nfs/dbraw/zinc/98/39/16/325983916.db2.gz DKHSBOUJGKMZMY-NXEZZACHSA-N 2 0 248.330 0.694 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CO)CC(F)F)C1 ZINC000566020382 325985970 /nfs/dbraw/zinc/98/59/70/325985970.db2.gz NULNLSPMAMYXNB-VGMNWLOBSA-N 2 0 222.279 0.862 20 0 BCADRP C[C@]1(C(=O)NCC2=CC[NH2+]CC2)CCC[NH2+]1 ZINC000566099114 325994394 /nfs/dbraw/zinc/99/43/94/325994394.db2.gz MBNKGBZOIKNMMG-GFCCVEGCSA-N 2 0 223.320 0.164 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000566200925 326011835 /nfs/dbraw/zinc/01/18/35/326011835.db2.gz KLGKOAJXDZQGJD-HBNTYKKESA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000566212633 326014345 /nfs/dbraw/zinc/01/43/45/326014345.db2.gz GQAZJXPZBKRXEC-RKDXNWHRSA-N 2 0 213.325 0.215 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000566212631 326014360 /nfs/dbraw/zinc/01/43/60/326014360.db2.gz GQAZJXPZBKRXEC-DTWKUNHWSA-N 2 0 213.325 0.215 20 0 BCADRP CN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@@H](C[NH3+])C1CC1 ZINC000566212887 326014478 /nfs/dbraw/zinc/01/44/78/326014478.db2.gz ICVSQUOLUDEPIX-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000566215135 326015932 /nfs/dbraw/zinc/01/59/32/326015932.db2.gz WEOUACCDWKJDLS-DJLDLDEBSA-N 2 0 201.314 0.226 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C1([NH3+])CCCCC1 ZINC000566258532 326020543 /nfs/dbraw/zinc/02/05/43/326020543.db2.gz WGUHGVSYDBTTJQ-VHSXEESVSA-N 2 0 227.352 0.890 20 0 BCADRP C[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000566249299 326024061 /nfs/dbraw/zinc/02/40/61/326024061.db2.gz RDEUHLZIBKJSDE-APPZFPTMSA-N 2 0 234.303 0.183 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000566286341 326029094 /nfs/dbraw/zinc/02/90/94/326029094.db2.gz JYRQVIDCURBZOX-UMNHJUIQSA-N 2 0 225.336 0.195 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000566442906 326048126 /nfs/dbraw/zinc/04/81/26/326048126.db2.gz VQUMUKLIZDTRIY-LLVKDONJSA-N 2 0 227.352 0.395 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000566470890 326052892 /nfs/dbraw/zinc/05/28/92/326052892.db2.gz MBORMSQUITXITQ-GHMZBOCLSA-N 2 0 239.363 0.762 20 0 BCADRP O=C(CC[NH2+]C1CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000566472018 326053129 /nfs/dbraw/zinc/05/31/29/326053129.db2.gz WQDLTVAVXJWUDZ-LBPRGKRZSA-N 2 0 237.347 0.481 20 0 BCADRP COC[C@]1(CN[C@@H]2CCC[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000566483867 326056314 /nfs/dbraw/zinc/05/63/14/326056314.db2.gz XNVDQFVMOQQCEB-YNEHKIRRSA-N 2 0 241.379 0.615 20 0 BCADRP COC[C@]1(CN[C@@H]2CCC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000566483864 326056422 /nfs/dbraw/zinc/05/64/22/326056422.db2.gz XNVDQFVMOQQCEB-JHJVBQTASA-N 2 0 241.379 0.615 20 0 BCADRP C[C@H]([NH3+])CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000566562272 326064198 /nfs/dbraw/zinc/06/41/98/326064198.db2.gz SJMHCOITZFBEHJ-UHTWSYAYSA-N 2 0 241.379 0.552 20 0 BCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)[NH2+]C ZINC000566571828 326065410 /nfs/dbraw/zinc/06/54/10/326065410.db2.gz JZDMNQSSRXMXKI-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000566614114 326067342 /nfs/dbraw/zinc/06/73/42/326067342.db2.gz LGFHTRQDOOIWCB-UTUOFQBUSA-N 2 0 211.353 0.846 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000566615291 326068052 /nfs/dbraw/zinc/06/80/52/326068052.db2.gz IAWZNRUYPUFDGQ-BQBZGAKWSA-N 2 0 239.241 0.134 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000566618253 326068344 /nfs/dbraw/zinc/06/83/44/326068344.db2.gz ALIRLAJFNNJWAS-NXEZZACHSA-N 2 0 227.352 0.489 20 0 BCADRP CC[C@@]1(C(=O)N[C@@H](C)CCC[NH3+])CCC[NH2+]1 ZINC000566621006 326069045 /nfs/dbraw/zinc/06/90/45/326069045.db2.gz RMIQZPFQEQXCSM-JQWIXIFHSA-N 2 0 227.352 0.762 20 0 BCADRP [NH3+]Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]2)co1 ZINC000566676867 326073133 /nfs/dbraw/zinc/07/31/33/326073133.db2.gz KYNVRISOGMOWIL-VIFPVBQESA-N 2 0 223.276 0.220 20 0 BCADRP CC(C)[NH+](CCCNC(=O)[C@@H]1C[C@@H]1[NH3+])C(C)C ZINC000566852788 326087596 /nfs/dbraw/zinc/08/75/96/326087596.db2.gz ADTIYMQEGZSHBR-NEPJUHHUSA-N 2 0 241.379 0.959 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000566854326 326088365 /nfs/dbraw/zinc/08/83/65/326088365.db2.gz GXRXJZFBKHUFOW-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@]34C[C@H]3CC[NH2+]4)C[C@H]21 ZINC000566968232 326097217 /nfs/dbraw/zinc/09/72/17/326097217.db2.gz LBUFBYZQNXBWRW-KSFQGOMNSA-N 2 0 249.358 0.324 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCc1ccc(C[NH3+])cc1 ZINC000566974636 326099006 /nfs/dbraw/zinc/09/90/06/326099006.db2.gz CXNCBAVSIJELLU-SNVBAGLBSA-N 2 0 235.331 0.889 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000567030816 326103860 /nfs/dbraw/zinc/10/38/60/326103860.db2.gz HOENWWBRXXZJQX-MXWKQRLJSA-N 2 0 227.352 0.474 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000567275378 326154328 /nfs/dbraw/zinc/15/43/28/326154328.db2.gz IACLIRCRGPZJJG-TUAOUCFPSA-N 2 0 237.347 0.420 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000567272623 326154386 /nfs/dbraw/zinc/15/43/86/326154386.db2.gz PVXIABMVMYGJOD-SECBINFHSA-N 2 0 213.325 0.243 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567354090 326172487 /nfs/dbraw/zinc/17/24/87/326172487.db2.gz XAQWVDNWXXWZMI-WISYIIOYSA-N 2 0 239.363 0.522 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000567383455 326180277 /nfs/dbraw/zinc/18/02/77/326180277.db2.gz AGXPSBIKCDBZMN-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP Cn1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nn1 ZINC000310586596 326196076 /nfs/dbraw/zinc/19/60/76/326196076.db2.gz WBPOXRKUORDNJH-PHIMTYICSA-N 2 0 235.335 0.247 20 0 BCADRP CC[NH2+]CCCNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000567572700 326219962 /nfs/dbraw/zinc/21/99/62/326219962.db2.gz URTWSLFZBHXYQZ-WDEREUQCSA-N 2 0 242.367 0.378 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CC2(CC(=O)OC)CC2)C1 ZINC000567589362 326224268 /nfs/dbraw/zinc/22/42/68/326224268.db2.gz HTKCHEVDLARJID-LLVKDONJSA-N 2 0 240.347 0.871 20 0 BCADRP C[C@@H]([NH3+])CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000567614052 326229469 /nfs/dbraw/zinc/22/94/69/326229469.db2.gz ZYRLVAUCUYMREA-ZYHUDNBSSA-N 2 0 220.320 0.375 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CC1(C[NH3+])CC1 ZINC000567669836 326242244 /nfs/dbraw/zinc/24/22/44/326242244.db2.gz PJKHZPOYVQPMII-UWVGGRQHSA-N 2 0 225.336 0.311 20 0 BCADRP O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000567671532 326242538 /nfs/dbraw/zinc/24/25/38/326242538.db2.gz YGECYMIXZWNGCU-MNOVXSKESA-N 2 0 225.336 0.387 20 0 BCADRP C[NH2+]CCCC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000567811709 326261440 /nfs/dbraw/zinc/26/14/40/326261440.db2.gz AZPLPOHBHYXZFP-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000567817533 326262350 /nfs/dbraw/zinc/26/23/50/326262350.db2.gz ZNFUABDLBQSMMN-UHXUPSOCSA-N 2 0 249.358 0.196 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC000567817449 326262360 /nfs/dbraw/zinc/26/23/60/326262360.db2.gz PTSHAUJFFUAXCL-DCAQKATOSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000567825590 326264412 /nfs/dbraw/zinc/26/44/12/326264412.db2.gz SNCKZCTWTDVUCD-WDEREUQCSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000567846683 326269142 /nfs/dbraw/zinc/26/91/42/326269142.db2.gz MFABFHBOLOQVCA-OUAUKWLOSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000567901800 326280133 /nfs/dbraw/zinc/28/01/33/326280133.db2.gz SPLXKHIFWDUVIH-XRNSZHNASA-N 2 0 225.336 0.228 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000567907876 326281423 /nfs/dbraw/zinc/28/14/23/326281423.db2.gz DGGWBGBMYRMYQO-IUCAKERBSA-N 2 0 249.305 0.569 20 0 BCADRP C[C@@H](C(=O)NCCC[NH2+]C1CC1)[C@H](C)[NH3+] ZINC000567922835 326283744 /nfs/dbraw/zinc/28/37/44/326283744.db2.gz QZQDJVQGGJBBPR-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CC1CC[NH2+]CC1 ZINC000567925866 326283771 /nfs/dbraw/zinc/28/37/71/326283771.db2.gz WQNQGUPJTZCJRX-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NC(C)(C)CC[NH3+])CC[NH2+]1 ZINC000567927190 326284643 /nfs/dbraw/zinc/28/46/43/326284643.db2.gz XEECFBSCOAICJS-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP CN(CCC[N@H+](C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000158029089 326304880 /nfs/dbraw/zinc/30/48/80/326304880.db2.gz XJIJDVLFQCUDEL-CHWSQXEVSA-N 2 0 242.363 0.818 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000158531597 326327168 /nfs/dbraw/zinc/32/71/68/326327168.db2.gz XLJGAGCAHJFARF-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP CCCN(C(=O)CC[NH2+]C1CC1)[C@H]1CC[NH2+]C1 ZINC000568236320 326331970 /nfs/dbraw/zinc/33/19/70/326331970.db2.gz HQNNRJZSOJFOCT-LBPRGKRZSA-N 2 0 239.363 0.729 20 0 BCADRP [NH3+]CCC1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000568293447 326342589 /nfs/dbraw/zinc/34/25/89/326342589.db2.gz PZQQWLGLBYCTCM-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000159067474 326348854 /nfs/dbraw/zinc/34/88/54/326348854.db2.gz JPNVUCNTIBFDMT-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000568392100 326353552 /nfs/dbraw/zinc/35/35/52/326353552.db2.gz DGIAUQAVQYEWEL-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000568509337 326361122 /nfs/dbraw/zinc/36/11/22/326361122.db2.gz LUSBHHXBDUKMBD-MWLCHTKSSA-N 2 0 221.304 0.540 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000568509289 326361145 /nfs/dbraw/zinc/36/11/45/326361145.db2.gz KADYUPNMUFBRLU-WZRBSPASSA-N 2 0 237.347 0.102 20 0 BCADRP CCOC[C@@H](O)C[NH2+][C@H](C)C1=CC[N@H+](C)CC1 ZINC000568621818 326368072 /nfs/dbraw/zinc/36/80/72/326368072.db2.gz LBSIISGNQQVREC-YPMHNXCESA-N 2 0 242.363 0.624 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000568627325 326368540 /nfs/dbraw/zinc/36/85/40/326368540.db2.gz XAZSMLBOSBUURC-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000568629767 326368924 /nfs/dbraw/zinc/36/89/24/326368924.db2.gz RBRUZFJQNZXTOJ-MNOVXSKESA-N 2 0 227.352 0.844 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000568629768 326368926 /nfs/dbraw/zinc/36/89/26/326368926.db2.gz RBRUZFJQNZXTOJ-QWRGUYRKSA-N 2 0 227.352 0.844 20 0 BCADRP CC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000568651016 326370930 /nfs/dbraw/zinc/37/09/30/326370930.db2.gz GAKOZCLFBHLHEN-UTUOFQBUSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000568746053 326374339 /nfs/dbraw/zinc/37/43/39/326374339.db2.gz BOFLHJWUASFQAY-LBPRGKRZSA-N 2 0 247.342 0.875 20 0 BCADRP C[NH2+]CC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000568864835 326379983 /nfs/dbraw/zinc/37/99/83/326379983.db2.gz RGLIONQFJOTISS-LBPRGKRZSA-N 2 0 235.331 0.802 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000569001056 326385990 /nfs/dbraw/zinc/38/59/90/326385990.db2.gz RQEHUIFGXMSLJP-NSHDSACASA-N 2 0 249.358 0.972 20 0 BCADRP C[C@H](NC(=O)C[NH2+]C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000569095024 326389648 /nfs/dbraw/zinc/38/96/48/326389648.db2.gz BSKJMHLWVJIFAH-VHSXEESVSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000569105955 326390416 /nfs/dbraw/zinc/39/04/16/326390416.db2.gz DFWHCWPBYBRLAT-CHWFTXMASA-N 2 0 225.336 0.323 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000569219292 326395615 /nfs/dbraw/zinc/39/56/15/326395615.db2.gz NXCSLBFYMMLYLZ-CMPLNLGQSA-N 2 0 225.336 0.054 20 0 BCADRP CSC[C@@H](O)C[NH2+][C@@H](C)C1=CC[N@H+](C)CC1 ZINC000569232714 326396411 /nfs/dbraw/zinc/39/64/11/326396411.db2.gz JSEZPZQBVPSFFV-JQWIXIFHSA-N 2 0 244.404 0.950 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000569246641 326397466 /nfs/dbraw/zinc/39/74/66/326397466.db2.gz JELDMUULFAMPTF-LNFKQOIKSA-N 2 0 225.336 0.371 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000572984549 326423015 /nfs/dbraw/zinc/42/30/15/326423015.db2.gz HIAQVMNECUREGN-CMPLNLGQSA-N 2 0 239.363 0.442 20 0 BCADRP [NH3+]Cc1cc(C(=O)NC[C@H]([NH3+])C2CC2)ccn1 ZINC000572999516 326423925 /nfs/dbraw/zinc/42/39/25/326423925.db2.gz DEIFNKIFTIKFAY-NSHDSACASA-N 2 0 234.303 0.007 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000573245004 326435609 /nfs/dbraw/zinc/43/56/09/326435609.db2.gz CXIDXWJDBYDJGA-OPRDCNLKSA-N 2 0 228.340 0.116 20 0 BCADRP O=C([C@@H]1CC[NH2+]C1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370788845 487973892 /nfs/dbraw/zinc/97/38/92/487973892.db2.gz SJOGAFRQQCANBW-SNVBAGLBSA-N 2 0 237.347 0.339 20 0 BCADRP CN(CCC[NH3+])C(=O)CC1CC[NH2+]CC1 ZINC000158813074 487977261 /nfs/dbraw/zinc/97/72/61/487977261.db2.gz PTVRAXIQSCFZTQ-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000446402790 487980143 /nfs/dbraw/zinc/98/01/43/487980143.db2.gz NGVPZNSMJYFIFJ-LPEHRKFASA-N 2 0 227.352 0.746 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000446409067 487980805 /nfs/dbraw/zinc/98/08/05/487980805.db2.gz QZUDPOONIFWNIC-AXFHLTTASA-N 2 0 227.352 0.746 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000446407410 487980968 /nfs/dbraw/zinc/98/09/68/487980968.db2.gz AUMJZGRWEOHEPW-NTZNESFSSA-N 2 0 239.363 0.905 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000446409068 487981206 /nfs/dbraw/zinc/98/12/06/487981206.db2.gz QZUDPOONIFWNIC-DCAQKATOSA-N 2 0 227.352 0.746 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418202273 487982641 /nfs/dbraw/zinc/98/26/41/487982641.db2.gz IUKVZHZPACLANT-GARJFASQSA-N 2 0 242.367 0.506 20 0 BCADRP CCN(CCO)CC[NH2+][C@H](C)C(C)C ZINC000186578195 487987728 /nfs/dbraw/zinc/98/77/28/487987728.db2.gz SUEYZMIHAIIANG-LLVKDONJSA-N 2 0 202.342 0.935 20 0 BCADRP CCN(CCO)CC[NH2+]C1CC(C)C1 ZINC000186579028 487988369 /nfs/dbraw/zinc/98/83/69/487988369.db2.gz HKMHROWNRHHISC-UHFFFAOYSA-N 2 0 200.326 0.689 20 0 BCADRP [NH3+]CCCCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418401445 487991485 /nfs/dbraw/zinc/99/14/85/487991485.db2.gz GNGRVEBKISYMFH-WDEREUQCSA-N 2 0 242.367 0.542 20 0 BCADRP C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CCC[NH3+] ZINC000123349876 487994008 /nfs/dbraw/zinc/99/40/08/487994008.db2.gz IDTYZWSXERUDPO-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP CN1CCN(C(=O)Nc2cccnc2)[C@@H](C[NH3+])C1 ZINC000623067098 488000398 /nfs/dbraw/zinc/00/03/98/488000398.db2.gz ZCIWYTZGALVUNL-NSHDSACASA-N 2 0 249.318 0.188 20 0 BCADRP C[C@@]1(C(N)=O)CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000396746126 488002991 /nfs/dbraw/zinc/00/29/91/488002991.db2.gz YTGLBORCILZGCI-ZYHUDNBSSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NC2CCC([NH3+])CC2)CC[NH2+]1 ZINC000235687344 488003529 /nfs/dbraw/zinc/00/35/29/488003529.db2.gz YQVJZZKIVPJDGJ-JYBOHDQNSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220875876 488004358 /nfs/dbraw/zinc/00/43/58/488004358.db2.gz IUXYTMNLPSZOGO-SRVKXCTJSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H](CCO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401068742 488025361 /nfs/dbraw/zinc/02/53/61/488025361.db2.gz ZYVTZVDPWMWRMB-NOOOWODRSA-N 2 0 212.337 0.735 20 0 BCADRP C[NH2+]CCCC(=O)NCC1CC[NH2+]CC1 ZINC000309652800 488026979 /nfs/dbraw/zinc/02/69/79/488026979.db2.gz UHNBKARVVNMQLJ-UHFFFAOYSA-N 2 0 213.325 0.102 20 0 BCADRP CC(C)([NH3+])CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000084168776 488032249 /nfs/dbraw/zinc/03/22/49/488032249.db2.gz OOYOKFBLZVCMOQ-JTQLQIEISA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226868744 488033111 /nfs/dbraw/zinc/03/31/11/488033111.db2.gz QBTHYYJPHZBXBS-GUBZILKMSA-N 2 0 213.325 0.193 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000084217008 488037304 /nfs/dbraw/zinc/03/73/04/488037304.db2.gz YBKRNRHRLUBTFB-VWYCJHECSA-N 2 0 225.336 0.372 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](C)[NH2+]C)C1 ZINC000655449199 488037910 /nfs/dbraw/zinc/03/79/10/488037910.db2.gz OYDRUFWMEJCQCV-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@H]1CCc2nccn2C1 ZINC000655450362 488041137 /nfs/dbraw/zinc/04/11/37/488041137.db2.gz LGXZAMUGBWBVIV-UWVGGRQHSA-N 2 0 236.319 0.157 20 0 BCADRP OC[C@@H]1CCC[N@@H+]1Cc1cnc2n1CCC2 ZINC000667552468 488042586 /nfs/dbraw/zinc/04/25/86/488042586.db2.gz HWKPQEXXSPCTCC-JTQLQIEISA-N 2 0 221.304 0.786 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655450678 488042293 /nfs/dbraw/zinc/04/22/93/488042293.db2.gz WUVNGQLJEWSBTA-YPMHNXCESA-N 2 0 239.363 0.492 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493719 488043127 /nfs/dbraw/zinc/04/31/27/488043127.db2.gz IVXOUXZVYSQVGZ-RNJOBUHISA-N 2 0 223.364 0.703 20 0 BCADRP C(N1CC[C@H]2CC[NH2+][C@H]2C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494631 488044095 /nfs/dbraw/zinc/04/40/95/488044095.db2.gz PTXUFCIKFSJSMI-NDBYEHHHSA-N 2 0 221.348 0.280 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000091395025 488048968 /nfs/dbraw/zinc/04/89/68/488048968.db2.gz DCNPULKGRILJTK-NSHDSACASA-N 2 0 239.363 0.811 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000091395012 488049170 /nfs/dbraw/zinc/04/91/70/488049170.db2.gz GDVSWGRFPSCHLH-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000661828720 488055413 /nfs/dbraw/zinc/05/54/13/488055413.db2.gz VPPZRKKGIPEBOL-WOPDTQHZSA-N 2 0 242.363 0.192 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C(F)F)C1 ZINC000236304342 488056958 /nfs/dbraw/zinc/05/69/58/488056958.db2.gz KCYBVTJIHAVQGW-BWZBUEFSSA-N 2 0 208.252 0.472 20 0 BCADRP CC1(C)C[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CO1 ZINC000396892483 488057402 /nfs/dbraw/zinc/05/74/02/488057402.db2.gz QXSNIULZLOPVJB-MXWKQRLJSA-N 2 0 210.321 0.705 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000515174462 488071567 /nfs/dbraw/zinc/07/15/67/488071567.db2.gz JIAYQAPTJXYZFS-CHWSQXEVSA-N 3 0 241.379 0.032 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@H](C)[NH2+]1 ZINC000153269428 488074929 /nfs/dbraw/zinc/07/49/29/488074929.db2.gz HBIJUAJYHMBJBD-YTWAJWBKSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@H](C)[NH2+]1 ZINC000153269528 488075187 /nfs/dbraw/zinc/07/51/87/488075187.db2.gz HBIJUAJYHMBJBD-MMWGEVLESA-N 2 0 225.336 0.323 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH2+]C)C1 ZINC000389138401 488078760 /nfs/dbraw/zinc/07/87/60/488078760.db2.gz GMDGKFLGXDIRHB-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257673060 488079274 /nfs/dbraw/zinc/07/92/74/488079274.db2.gz IYBFLBZIVWCTJH-NWDGAFQWSA-N 2 0 209.337 0.281 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000389167112 488079771 /nfs/dbraw/zinc/07/97/71/488079771.db2.gz MVAYYJVBIVHZSE-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C[NH2+]C(C)C)C1 ZINC000389173066 488079882 /nfs/dbraw/zinc/07/98/82/488079882.db2.gz OJCZUOAPNMEMDM-LLVKDONJSA-N 2 0 227.352 0.585 20 0 BCADRP CCCN1CC[C@H]([NH2+]C[C@H](O)COC(C)C)C1 ZINC000389144570 488080207 /nfs/dbraw/zinc/08/02/07/488080207.db2.gz HXYDVKNWZGGPTB-STQMWFEESA-N 2 0 244.379 0.846 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC)C1 ZINC000389195346 488080968 /nfs/dbraw/zinc/08/09/68/488080968.db2.gz WZSUXHSHJBFXHA-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+]CCC[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000414692631 488083119 /nfs/dbraw/zinc/08/31/19/488083119.db2.gz CXHSKYJFKFYVBP-ZDUSSCGKSA-N 2 0 220.316 0.927 20 0 BCADRP CNC(=O)CCC[N@H+](C)Cc1cnc(C)n1C ZINC000667674303 488083203 /nfs/dbraw/zinc/08/32/03/488083203.db2.gz BVEJFUIEFYYUAX-UHFFFAOYSA-N 2 0 238.335 0.687 20 0 BCADRP CO[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CC[C@@H]1C ZINC000230311903 488083638 /nfs/dbraw/zinc/08/36/38/488083638.db2.gz DTNMGZYMBZRQCI-QJPTWQEYSA-N 2 0 212.337 0.953 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000236764323 488088269 /nfs/dbraw/zinc/08/82/69/488088269.db2.gz PDZLQQIAKZMFNP-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH+]1CCC(NC(=O)CC2([NH3+])CC2)CC1 ZINC000257838881 488089013 /nfs/dbraw/zinc/08/90/13/488089013.db2.gz BAWFKLNSKRQBRI-UHFFFAOYSA-N 2 0 211.309 0.078 20 0 BCADRP CCC[NH2+]CCNC(=O)c1ccc(C[NH3+])o1 ZINC000236823146 488090716 /nfs/dbraw/zinc/09/07/16/488090716.db2.gz HRCNGULMOWWMPH-UHFFFAOYSA-N 2 0 225.292 0.468 20 0 BCADRP C[N@@H+]1CC[C@H](c2nc([C@H]3CCC[NH2+]3)no2)C1 ZINC000257902525 488091196 /nfs/dbraw/zinc/09/11/96/488091196.db2.gz DSYDGJAWSUGYPN-DTWKUNHWSA-N 2 0 222.292 0.913 20 0 BCADRP C[N@@H+]1CC[C@H](c2nc([C@@H]3CCC[NH2+]3)no2)C1 ZINC000257902527 488091245 /nfs/dbraw/zinc/09/12/45/488091245.db2.gz DSYDGJAWSUGYPN-IUCAKERBSA-N 2 0 222.292 0.913 20 0 BCADRP O=C(C[NH2+]CC1CC1)NCCC1CC[NH2+]CC1 ZINC000653268543 488092084 /nfs/dbraw/zinc/09/20/84/488092084.db2.gz RBGCMJVEAQSNJJ-UHFFFAOYSA-N 2 0 239.363 0.492 20 0 BCADRP C(c1nc([C@@H]2CCC[NH2+]2)no1)[C@H]1CC[NH2+]C1 ZINC000257930441 488092127 /nfs/dbraw/zinc/09/21/27/488092127.db2.gz HAGMZEPNYZZHOS-BDAKNGLRSA-N 2 0 222.292 0.646 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000389381275 488093766 /nfs/dbraw/zinc/09/37/66/488093766.db2.gz MXLRDVYYPUVTHL-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000389647346 488104576 /nfs/dbraw/zinc/10/45/76/488104576.db2.gz NAFPFLJLLPMJEW-DGCLKSJQSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000237124304 488104251 /nfs/dbraw/zinc/10/42/51/488104251.db2.gz QKZRBQGPDAPJHK-ZDUSSCGKSA-N 2 0 247.342 0.969 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000389692484 488105844 /nfs/dbraw/zinc/10/58/44/488105844.db2.gz AVIMBLONNBWYAJ-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)c1csc(CN)n1 ZINC000237176887 488107090 /nfs/dbraw/zinc/10/70/90/488107090.db2.gz BMQPYRPJLZHKDQ-ZETCQYMHSA-N 2 0 242.348 0.187 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000237177937 488107111 /nfs/dbraw/zinc/10/71/11/488107111.db2.gz BIKKPUCQADYQNO-SNVBAGLBSA-N 2 0 213.325 0.244 20 0 BCADRP COC1(CO)CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000402900870 488107497 /nfs/dbraw/zinc/10/74/97/488107497.db2.gz LIJPXSAXCZYKBE-GFCCVEGCSA-N 2 0 242.363 0.459 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669509631 488109921 /nfs/dbraw/zinc/10/99/21/488109921.db2.gz JYNUTHCSOPSSQK-UTUOFQBUSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669509596 488110204 /nfs/dbraw/zinc/11/02/04/488110204.db2.gz FNTFDCRMDIZPEL-DCAQKATOSA-N 2 0 225.336 0.243 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCC[NH2+]1 ZINC000669509772 488110878 /nfs/dbraw/zinc/11/08/78/488110878.db2.gz VCFHVUDQLWHCDM-RYUDHWBXSA-N 2 0 239.363 0.777 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000669510400 488112647 /nfs/dbraw/zinc/11/26/47/488112647.db2.gz ZTXTXVHJKSQUIT-AAEUAGOBSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C[NH2+]C1CC1 ZINC000669512590 488118984 /nfs/dbraw/zinc/11/89/84/488118984.db2.gz HHKQCABHAXHTLW-LLVKDONJSA-N 2 0 227.352 0.570 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000669512373 488118832 /nfs/dbraw/zinc/11/88/32/488118832.db2.gz KNVQTKUDHFAXLR-NSHDSACASA-N 2 0 239.363 0.729 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CC(C)(C)[NH3+] ZINC000669513573 488121336 /nfs/dbraw/zinc/12/13/36/488121336.db2.gz MCUSUBHASFSHMS-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]1CN(C(=O)CC2([NH3+])CCC2)[C@H](C)C[NH2+]1 ZINC000669513556 488121699 /nfs/dbraw/zinc/12/16/99/488121699.db2.gz JDIHFHLQHXPHIZ-NXEZZACHSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000669513947 488122632 /nfs/dbraw/zinc/12/26/32/488122632.db2.gz DYUMSMFUCQLLQZ-XCBNKYQSSA-N 2 0 241.722 0.803 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000675783763 488122917 /nfs/dbraw/zinc/12/29/17/488122917.db2.gz AADBLRRBXKQZRJ-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000669514931 488124127 /nfs/dbraw/zinc/12/41/27/488124127.db2.gz TYKYPDJVCNANCE-NWDGAFQWSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C2([NH3+])CCC2)CC[NH2+]1 ZINC000669514737 488124662 /nfs/dbraw/zinc/12/46/62/488124662.db2.gz DIMWDQYBYKQZMZ-SNVBAGLBSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@H]1CN(C(=O)CC2([NH3+])CCC2)CC[NH2+]1 ZINC000669514972 488125149 /nfs/dbraw/zinc/12/51/49/488125149.db2.gz YEBXXOWPVBEQLJ-LLVKDONJSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC(C)C)CC[C@@H]1[NH3+] ZINC000669516049 488125962 /nfs/dbraw/zinc/12/59/62/488125962.db2.gz PQWOCJKUDJZEPT-GRYCIOLGSA-N 2 0 241.379 0.946 20 0 BCADRP O=C([C@H]1CCCC[NH2+]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669515873 488126021 /nfs/dbraw/zinc/12/60/21/488126021.db2.gz HWLGOJFLKYKOFL-TUAOUCFPSA-N 2 0 237.347 0.339 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000258652577 488126365 /nfs/dbraw/zinc/12/63/65/488126365.db2.gz SHPXGBQOGZDBHI-MNOVXSKESA-N 2 0 240.351 0.132 20 0 BCADRP CC(C)[NH+]1CCC(N[C@@H]2CC[NH2+]C2)CC1 ZINC000086725600 487537492 /nfs/dbraw/zinc/53/74/92/487537492.db2.gz DVSOQFBIPWXARI-GFCCVEGCSA-N 2 0 211.353 0.811 20 0 BCADRP C[C@@H](C(=O)NC[C@H](C)[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000669517030 488127482 /nfs/dbraw/zinc/12/74/82/488127482.db2.gz SHWFKCPBHYDZIM-HOSYDEDBSA-N 2 0 235.331 0.786 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000669517866 488128709 /nfs/dbraw/zinc/12/87/09/488128709.db2.gz JPSOKVUTWIHEKT-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)CC1([NH3+])CCC1 ZINC000669518600 488130048 /nfs/dbraw/zinc/13/00/48/488130048.db2.gz LQEHLSGPUWAVDR-NSHDSACASA-N 2 0 239.363 0.988 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000669518644 488130430 /nfs/dbraw/zinc/13/04/30/488130430.db2.gz XSZQHVUKVYISPC-SNVBAGLBSA-N 2 0 227.352 0.844 20 0 BCADRP CC[NH+](CC)CCNC(=O)c1ccc(C[NH3+])o1 ZINC000094562602 487542846 /nfs/dbraw/zinc/54/28/46/487542846.db2.gz FFYINWNDFGZZTP-UHFFFAOYSA-N 2 0 239.319 0.810 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](C)C1)[C@H](C)[NH3+] ZINC000399692545 487542867 /nfs/dbraw/zinc/54/28/67/487542867.db2.gz YMKBNQUSGLNPRO-SRVKXCTJSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@@H](CO)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000121223242 490079548 /nfs/dbraw/zinc/07/95/48/490079548.db2.gz SXPAQFVATODHLQ-GFCCVEGCSA-N 2 0 235.331 0.832 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000674288564 487544457 /nfs/dbraw/zinc/54/44/57/487544457.db2.gz GHEKWEWLIBUUKE-OUAUKWLOSA-N 2 0 227.352 0.535 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(C[NH3+])o1 ZINC000094570777 487544729 /nfs/dbraw/zinc/54/47/29/487544729.db2.gz PZMGHQNCJYUPOS-VIFPVBQESA-N 2 0 239.319 0.808 20 0 BCADRP C[C@@H](C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)[NH+](C)C ZINC000154132492 487530176 /nfs/dbraw/zinc/53/01/76/487530176.db2.gz UIURYZPBPUXVLX-GUBZILKMSA-N 2 0 213.325 0.145 20 0 BCADRP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000674288455 487549777 /nfs/dbraw/zinc/54/97/77/487549777.db2.gz ATOXWWMCQZGJID-WOPDTQHZSA-N 2 0 241.379 0.735 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000382109818 487531795 /nfs/dbraw/zinc/53/17/95/487531795.db2.gz JTTICXYMTBGYGD-KXUCPTDWSA-N 2 0 213.325 0.310 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000237285671 488138862 /nfs/dbraw/zinc/13/88/62/488138862.db2.gz UYOJETGAFCURLN-LLVKDONJSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]1CCCN(C(=O)CC(C)(C)[NH3+])[C@H]1C[NH3+] ZINC000237572476 487484381 /nfs/dbraw/zinc/48/43/81/487484381.db2.gz QFGSEYBMZRLHLR-UWVGGRQHSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]([NH3+])C[C@H]1C)[NH+](C)C ZINC000237482529 487476695 /nfs/dbraw/zinc/47/66/95/487476695.db2.gz PLMTZOVRKSIWAS-UTLUCORTSA-N 2 0 213.325 0.275 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000086270986 487494063 /nfs/dbraw/zinc/49/40/63/487494063.db2.gz LIJDGOCQJVOQLJ-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000086270989 487494324 /nfs/dbraw/zinc/49/43/24/487494324.db2.gz LIJDGOCQJVOQLJ-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000161608216 487506380 /nfs/dbraw/zinc/50/63/80/487506380.db2.gz ODTYGLIAGVGRCG-AXFHLTTASA-N 2 0 225.336 0.515 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334341311 487501928 /nfs/dbraw/zinc/50/19/28/487501928.db2.gz IXYAIAJZNQOBPT-JQWIXIFHSA-N 2 0 225.336 0.326 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CCC[NH3+] ZINC000381221441 487502012 /nfs/dbraw/zinc/50/20/12/487502012.db2.gz ITUCSPUOCQUUKM-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+]CCN(Cc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000662266698 487503628 /nfs/dbraw/zinc/50/36/28/487503628.db2.gz OBHDCZVQMXVOFV-CQSZACIVSA-N 2 0 249.358 0.436 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H](COC)OC)C1 ZINC000300375671 487511675 /nfs/dbraw/zinc/51/16/75/487511675.db2.gz PUDUUIKLSKSJSW-GHMZBOCLSA-N 2 0 216.325 0.189 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1)OC ZINC000300375192 487511721 /nfs/dbraw/zinc/51/17/21/487511721.db2.gz PHBZDRPOYORTHL-OUAUKWLOSA-N 2 0 216.325 0.317 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000381493707 487509147 /nfs/dbraw/zinc/50/91/47/487509147.db2.gz ZIJONGBQZACQHC-NXEZZACHSA-N 2 0 213.325 0.228 20 0 BCADRP Cc1ncc(C[N@@H+]2CCC[C@@](O)(CO)C2)n1C ZINC000668234699 487509599 /nfs/dbraw/zinc/50/95/99/487509599.db2.gz QXGHOOIWNWGRKK-LBPRGKRZSA-N 2 0 239.319 0.048 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C)OC ZINC000300366937 487510815 /nfs/dbraw/zinc/51/08/15/487510815.db2.gz HNJBGWCCWDETKE-VWYCJHECSA-N 2 0 216.325 0.459 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000151798507 487519676 /nfs/dbraw/zinc/51/96/76/487519676.db2.gz NAGBNPUFWIULAQ-SNVBAGLBSA-N 2 0 229.368 0.864 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000669318256 487520282 /nfs/dbraw/zinc/52/02/82/487520282.db2.gz KLTDLBRHNICBOZ-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP CCN1CC[C@@H]([N@@H+]2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000662273670 487521971 /nfs/dbraw/zinc/52/19/71/487521971.db2.gz XRBRCSCJBAGQJD-NWDGAFQWSA-N 2 0 239.363 0.668 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CC1([NH3+])CCC1 ZINC000094293472 487523977 /nfs/dbraw/zinc/52/39/77/487523977.db2.gz HVUUZCLZIJYVKK-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[NH+](C)C ZINC000674246314 487535359 /nfs/dbraw/zinc/53/53/59/487535359.db2.gz IZSGPIXOEIMBKT-CMPLNLGQSA-N 2 0 239.363 0.537 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)NC/C=C\C[NH3+] ZINC000669574037 487558831 /nfs/dbraw/zinc/55/88/31/487558831.db2.gz ZYPBHMUVENPQLK-JMEBYUIHSA-N 2 0 242.367 0.531 20 0 BCADRP COC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)C1CC1 ZINC000397316367 487562322 /nfs/dbraw/zinc/56/23/22/487562322.db2.gz LGYPPPUGPURIIQ-CHWSQXEVSA-N 2 0 244.379 0.702 20 0 BCADRP C[NH+](C)CC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000097829443 487704285 /nfs/dbraw/zinc/70/42/85/487704285.db2.gz OERUQEIXSFJGEQ-UHFFFAOYSA-N 2 0 233.315 0.468 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352627 487930228 /nfs/dbraw/zinc/93/02/28/487930228.db2.gz GGVCSHZUKHQJNS-AVGNSLFASA-N 2 0 241.379 0.018 20 0 BCADRP COC1(CO)CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000402923027 488108907 /nfs/dbraw/zinc/10/89/07/488108907.db2.gz PFCIQARVDKQMFY-GFCCVEGCSA-N 2 0 242.363 0.459 20 0 BCADRP C[C@@H](NC(=O)C[C@@H]([NH3+])Cc1ccccc1)[C@H](C)[NH3+] ZINC000669520118 488135760 /nfs/dbraw/zinc/13/57/60/488135760.db2.gz AISNLVGQVNNBJI-LOWVWBTDSA-N 2 0 249.358 0.798 20 0 BCADRP C([C@H]1C[NH2+]CCO1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000222899727 488137077 /nfs/dbraw/zinc/13/70/77/488137077.db2.gz FNKCZKJFFWPQGX-CHWSQXEVSA-N 2 0 239.363 0.145 20 0 BCADRP O[C@H](C[NH2+]C[C@H]1CC[C@@H](O)C1)C[NH+]1CCCC1 ZINC000227689534 488138643 /nfs/dbraw/zinc/13/86/43/488138643.db2.gz DMRLJKQTDKEFHC-YNEHKIRRSA-N 2 0 242.363 0.194 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000669520216 488138715 /nfs/dbraw/zinc/13/87/15/488138715.db2.gz AUQAXONOMOSCND-LBPRGKRZSA-N 2 0 247.342 0.336 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)[NH+](C)C ZINC000683260322 488140745 /nfs/dbraw/zinc/14/07/45/488140745.db2.gz KFDUUHOHSMFQDF-NWDGAFQWSA-N 2 0 241.379 0.879 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C[NH2+]C(C)C ZINC000230710475 488141347 /nfs/dbraw/zinc/14/13/47/488141347.db2.gz XDRKQTSDTUNFKC-UHFFFAOYSA-N 2 0 229.368 0.785 20 0 BCADRP C[NH2+]CC1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000237316427 488145203 /nfs/dbraw/zinc/14/52/03/488145203.db2.gz ZPPQHCIYMMFCQU-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCOc2ccccc2C1 ZINC000093232483 488147140 /nfs/dbraw/zinc/14/71/40/488147140.db2.gz FXVIDDNUUPECAO-UHFFFAOYSA-N 2 0 236.315 0.856 20 0 BCADRP CC(C)[NH2+]CCC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000669521234 488151804 /nfs/dbraw/zinc/15/18/04/488151804.db2.gz XZWRWPUWKKLYMJ-NSHDSACASA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000237406578 488155341 /nfs/dbraw/zinc/15/53/41/488155341.db2.gz PQQQCZKPCQJRFK-UWVGGRQHSA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085358888 488163784 /nfs/dbraw/zinc/16/37/84/488163784.db2.gz CAJNMJOSKLEOCY-NEPJUHHUSA-N 2 0 239.363 0.666 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085373387 488164495 /nfs/dbraw/zinc/16/44/95/488164495.db2.gz CFZTTYGYFIXFQB-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085369718 488164861 /nfs/dbraw/zinc/16/48/61/488164861.db2.gz AQEXNQFPQASJHP-NEPJUHHUSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H]1CN(Cc2ccn(C)n2)CC[C@@H]1[NH3+] ZINC000160789758 488165944 /nfs/dbraw/zinc/16/59/44/488165944.db2.gz MBIPFPGZXWFXTD-JQWIXIFHSA-N 2 0 222.336 0.979 20 0 BCADRP CC[C@H](C)[N@H+](CCO)C[C@H](O)C[NH+](C)C(C)C ZINC000380016251 488168104 /nfs/dbraw/zinc/16/81/04/488168104.db2.gz LVECXPSMTVOWPE-QWHCGFSZSA-N 2 0 246.395 0.780 20 0 BCADRP c1ccc(C[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000034406446 488175910 /nfs/dbraw/zinc/17/59/10/488175910.db2.gz UGBYPUZLFMUDAH-UHFFFAOYSA-N 2 0 219.332 0.681 20 0 BCADRP Cn1cnc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000400967473 488178705 /nfs/dbraw/zinc/17/87/05/488178705.db2.gz ICYHVOUKQROSMD-GARJFASQSA-N 2 0 235.335 0.293 20 0 BCADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](C)CO)C1 ZINC000678043380 488178927 /nfs/dbraw/zinc/17/89/27/488178927.db2.gz BPNXUTKZGRIRGC-RYUDHWBXSA-N 2 0 214.353 0.888 20 0 BCADRP C[NH+](C)CCCn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000404869130 488182554 /nfs/dbraw/zinc/18/25/54/488182554.db2.gz MMLROZCYDMCEPU-LLVKDONJSA-N 2 0 237.351 0.697 20 0 BCADRP C[NH+]1CCC(NC(=O)CC[NH2+]C2CC2)CC1 ZINC000037478283 488185526 /nfs/dbraw/zinc/18/55/26/488185526.db2.gz NRWSVSDDWWVIGP-UHFFFAOYSA-N 2 0 225.336 0.339 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1CCO ZINC000519760441 488188548 /nfs/dbraw/zinc/18/85/48/488188548.db2.gz RBXGGMPXGLAIOS-XQQFMLRXSA-N 2 0 244.379 0.440 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H](C)[NH2+]C)CC[C@H]1[NH3+] ZINC000655457425 488198507 /nfs/dbraw/zinc/19/85/07/488198507.db2.gz AIBXZHDFDIFGKO-IVZWLZJFSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H](CNC(=O)C1([NH+](C)C)CC1)[N@H+](C)C1CC1 ZINC000668096111 488201907 /nfs/dbraw/zinc/20/19/07/488201907.db2.gz YZAIRLFYTWZLCN-JTQLQIEISA-N 2 0 239.363 0.680 20 0 BCADRP CC[C@H](C)C[N@H+](C)C[C@@H]1CNCCO1 ZINC000043802191 488209201 /nfs/dbraw/zinc/20/92/01/488209201.db2.gz KZHZAYMJBSYDJT-QWRGUYRKSA-N 2 0 200.326 0.953 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000673660828 488301416 /nfs/dbraw/zinc/30/14/16/488301416.db2.gz DWQFGDLXTGKQKB-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)C[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000055083640 488342926 /nfs/dbraw/zinc/34/29/26/488342926.db2.gz NGOPTYLKYJWHNY-ZDUSSCGKSA-N 2 0 241.379 0.248 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)NCCC1CC[NH2+]CC1 ZINC000652323825 490187301 /nfs/dbraw/zinc/18/73/01/490187301.db2.gz QAICMLKUDKMERN-JTQLQIEISA-N 2 0 242.367 0.365 20 0 BCADRP O=C(NCC12CC(C1)C[NH2+]2)[C@H]1CCC[NH2+]CC1 ZINC000662922935 490208787 /nfs/dbraw/zinc/20/87/87/490208787.db2.gz GHJFNYBQRZSKTE-AKJDGMEZSA-N 2 0 237.347 0.244 20 0 BCADRP C[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000078743792 490224044 /nfs/dbraw/zinc/22/40/44/490224044.db2.gz YUAWTYUMNQRPBP-RYUDHWBXSA-N 2 0 241.379 0.737 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC000662967294 490246558 /nfs/dbraw/zinc/24/65/58/490246558.db2.gz ZHVPOULPYPFIMZ-VIFPVBQESA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)CC(C)(C)[NH3+])CC[N@@H+]1C ZINC000132940087 490276274 /nfs/dbraw/zinc/27/62/74/490276274.db2.gz ZSVOJCIHJKFJLB-UWVGGRQHSA-N 2 0 227.352 0.713 20 0 BCADRP C[NH2+]CC(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638803511 490337047 /nfs/dbraw/zinc/33/70/47/490337047.db2.gz LFFUOQJEJBHHRN-UHFFFAOYSA-N 2 0 235.287 0.090 20 0 BCADRP C[C@@H]1CCCN(C(=O)CCC[NH3+])[C@@H]1CC[NH3+] ZINC000653232733 490393595 /nfs/dbraw/zinc/39/35/95/490393595.db2.gz IKOBTGAXNOEKFV-GHMZBOCLSA-N 2 0 227.352 0.701 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000653232637 490393771 /nfs/dbraw/zinc/39/37/71/490393771.db2.gz GLRSQOVRLCPKJW-OPRDCNLKSA-N 2 0 213.325 0.310 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)CC1([NH3+])CCC1 ZINC000669511519 490397923 /nfs/dbraw/zinc/39/79/23/490397923.db2.gz RVOYPWTYLWMOHD-NSHDSACASA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000130598636 490407761 /nfs/dbraw/zinc/40/77/61/490407761.db2.gz PCHQSEPSSLRMNW-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP Nc1cccc(C[NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)c1 ZINC000663499294 490451485 /nfs/dbraw/zinc/45/14/85/490451485.db2.gz VPSIIJQFXCPSTE-DGCLKSJQSA-N 2 0 217.316 0.968 20 0 BCADRP Cc1ccc(C[NH+]2CCC(O)(C[NH3+])CC2)cn1 ZINC000397049011 490490562 /nfs/dbraw/zinc/49/05/62/490490562.db2.gz QJBIAMPVHCLWCC-UHFFFAOYSA-N 2 0 235.331 0.676 20 0 BCADRP [NH3+]CCNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000124214587 490491309 /nfs/dbraw/zinc/49/13/09/490491309.db2.gz NBKLIHCJDVTZQP-UHFFFAOYSA-N 2 0 219.288 0.021 20 0 BCADRP [NH3+][C@H](C(=O)NCC[NH2+]C1CC1)c1ccccc1 ZINC000131806776 490658135 /nfs/dbraw/zinc/65/81/35/490658135.db2.gz WLFFUAKZIJUDIT-LBPRGKRZSA-N 2 0 233.315 0.555 20 0 BCADRP [NH3+]C1(CC(=O)N[C@@H]2CCC[NH2+]C2)CCC1 ZINC000120369398 490676917 /nfs/dbraw/zinc/67/69/17/490676917.db2.gz JYDXAYTUOXLDMA-SECBINFHSA-N 2 0 211.309 0.126 20 0 BCADRP C[NH+](C)C/C=C\C(=O)NCC(C)(C)C[NH+](C)C ZINC000491850080 491080871 /nfs/dbraw/zinc/08/08/71/491080871.db2.gz PQYVZNVOHBUDCC-FPLPWBNLSA-N 2 0 241.379 0.808 20 0 BCADRP CC[C@H](C)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685695 491090507 /nfs/dbraw/zinc/09/05/07/491090507.db2.gz IYWBNNSVPRUICU-NSHDSACASA-N 2 0 227.352 0.491 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000662605018 491107101 /nfs/dbraw/zinc/10/71/01/491107101.db2.gz JPLGNTGMFADKGF-GFCCVEGCSA-N 2 0 249.358 0.752 20 0 BCADRP C[C@H](C(=O)NCCC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000269137929 491108734 /nfs/dbraw/zinc/10/87/34/491108734.db2.gz SEIXUZVNUMRPKE-GFCCVEGCSA-N 2 0 249.358 0.972 20 0 BCADRP C[C@@H](C(=O)NCCC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000269137931 491108751 /nfs/dbraw/zinc/10/87/51/491108751.db2.gz SEIXUZVNUMRPKE-LBPRGKRZSA-N 2 0 249.358 0.972 20 0 BCADRP [NH3+]CC1(CCNC(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000653215236 491128360 /nfs/dbraw/zinc/12/83/60/491128360.db2.gz QIKKJOXWCVAOBG-GFCCVEGCSA-N 2 0 247.342 0.932 20 0 BCADRP [NH3+]CC1(CCNC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000653215790 491128442 /nfs/dbraw/zinc/12/84/42/491128442.db2.gz AZFNEQUZEYIPQT-SNVBAGLBSA-N 2 0 225.336 0.374 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H](C)CC[NH+](C)C ZINC000049559746 491128808 /nfs/dbraw/zinc/12/88/08/491128808.db2.gz IIIOAMZUOLOLBP-RKDXNWHRSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843344330 582534866 /nfs/dbraw/zinc/53/48/66/582534866.db2.gz WDXNILDWSUFZKC-RWMBFGLXSA-N 3 0 243.395 0.847 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1CCCC[NH2+]1 ZINC000494703047 533842278 /nfs/dbraw/zinc/84/22/78/533842278.db2.gz MPEMFELXFQQALF-GHMZBOCLSA-N 2 0 227.352 0.762 20 0 BCADRP C[C@H]([NH2+]CCCN1CCOC1=O)[C@H]1CCC[NH2+]1 ZINC000497070188 533850607 /nfs/dbraw/zinc/85/06/07/533850607.db2.gz HQAIEJJCDUKBEZ-WDEREUQCSA-N 2 0 241.335 0.559 20 0 BCADRP COC(=O)N1CC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000497087373 533933264 /nfs/dbraw/zinc/93/32/64/533933264.db2.gz CVYXVFYXMLASSH-MWLCHTKSSA-N 2 0 241.335 0.544 20 0 BCADRP CN1CCC[N@H+](CC2CC[NH+](C)CC2)CC1 ZINC000891394839 582676793 /nfs/dbraw/zinc/67/67/93/582676793.db2.gz ZTOAGFNSXRORMO-UHFFFAOYSA-N 2 0 225.380 0.966 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217809922 535678149 /nfs/dbraw/zinc/67/81/49/535678149.db2.gz BOLWRWIITSUELP-TUAOUCFPSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)CC[C@H]2CCC[NH2+]2)[C@H]1C ZINC000494660665 534125687 /nfs/dbraw/zinc/12/56/87/534125687.db2.gz GGZQTZVBUQHMRD-SDDRHHMPSA-N 2 0 239.363 0.727 20 0 BCADRP CCN(C(=O)NC1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000891962800 582748727 /nfs/dbraw/zinc/74/87/27/582748727.db2.gz ZFYPOBAPPJRULV-NSHDSACASA-N 2 0 240.351 0.132 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)NCC1CC[NH2+]CC1 ZINC000891975762 582751722 /nfs/dbraw/zinc/75/17/22/582751722.db2.gz DMQNHICFQXKRPU-LLVKDONJSA-N 2 0 240.351 0.119 20 0 BCADRP CC[NH2+]CCNC(=O)NC1(C[NH3+])CCCCC1 ZINC000891996751 582757366 /nfs/dbraw/zinc/75/73/66/582757366.db2.gz FFJBQNORBCNPBD-UHFFFAOYSA-N 2 0 242.367 0.557 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000892002463 582759077 /nfs/dbraw/zinc/75/90/77/582759077.db2.gz PHGKTZCVZNJOCP-DCAQKATOSA-N 2 0 240.351 0.165 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000892005926 582759437 /nfs/dbraw/zinc/75/94/37/582759437.db2.gz RHQCNVJHJWNDMA-WDEREUQCSA-N 2 0 240.351 0.119 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892020506 582763720 /nfs/dbraw/zinc/76/37/20/582763720.db2.gz XLWLAJDNQZFWKX-GUBZILKMSA-N 2 0 228.340 0.006 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892040192 582769902 /nfs/dbraw/zinc/76/99/02/582769902.db2.gz JBWDLJDKZWWPRF-VWYCJHECSA-N 2 0 240.351 0.260 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000892040381 582770055 /nfs/dbraw/zinc/77/00/55/582770055.db2.gz LVNPLUBZZJRGQA-GMTAPVOTSA-N 2 0 242.367 0.635 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)NCCC(C)(C)[NH3+] ZINC000892045743 582771623 /nfs/dbraw/zinc/77/16/23/582771623.db2.gz VKVNLPHUIFMFJC-MRVPVSSYSA-N 2 0 216.329 0.008 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000892055264 582777899 /nfs/dbraw/zinc/77/78/99/582777899.db2.gz IOBPYRYPQFMJGR-WDEREUQCSA-N 2 0 242.367 0.637 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000892079765 582787141 /nfs/dbraw/zinc/78/71/41/582787141.db2.gz ZWAMVMMHFQUFAL-DBIOUOCHSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000892097231 582790408 /nfs/dbraw/zinc/79/04/08/582790408.db2.gz MJQYQOKLEDQHAY-VPOLOUISSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCC(C)(C)[NH3+] ZINC000892146169 582800592 /nfs/dbraw/zinc/80/05/92/582800592.db2.gz NLXQBKLEWIVDRC-SFYZADRCSA-N 2 0 216.329 0.149 20 0 BCADRP CCC1([NH3+])CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000892145136 582800595 /nfs/dbraw/zinc/80/05/95/582800595.db2.gz KZFWUWSIHQTXPK-UWVGGRQHSA-N 2 0 242.367 0.635 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000892142553 582799863 /nfs/dbraw/zinc/79/98/63/582799863.db2.gz VJUJFUKTFXDXLG-GMTAPVOTSA-N 2 0 242.367 0.683 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000892175619 582804955 /nfs/dbraw/zinc/80/49/55/582804955.db2.gz MLUSRVASMYHOJJ-OUAUKWLOSA-N 2 0 240.351 0.247 20 0 BCADRP CC(C)NC(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1 ZINC000849004177 582821853 /nfs/dbraw/zinc/82/18/53/582821853.db2.gz DNPLQPUJGSVXDZ-SNVBAGLBSA-N 2 0 212.341 0.851 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C[C@H]([NH3+])C2CC2)CC[N@@H+]1C ZINC000137448506 582872999 /nfs/dbraw/zinc/87/29/99/582872999.db2.gz KKQPPIOPTIUYRQ-JLLWLGSASA-N 2 0 239.363 0.713 20 0 BCADRP O=C1OC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCN12 ZINC000497098683 534817848 /nfs/dbraw/zinc/81/78/48/534817848.db2.gz LVPWBFYQILJNSM-NSHDSACASA-N 2 0 239.319 0.122 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000261681708 536399403 /nfs/dbraw/zinc/39/94/03/536399403.db2.gz HRKIBPHISOQQNE-CKYFFXLPSA-N 2 0 225.336 0.100 20 0 BCADRP CN(CCC[NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892456557 582891516 /nfs/dbraw/zinc/89/15/16/582891516.db2.gz QELATUMLRLBSKQ-UHFFFAOYSA-N 2 0 240.351 0.343 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H](O)COC)C[C@@H]1C ZINC000508874981 527754583 /nfs/dbraw/zinc/75/45/83/527754583.db2.gz PLPOUKIMAULKGI-YNEHKIRRSA-N 2 0 244.379 0.798 20 0 BCADRP CC[N@@H+]1CC[C@@H](NC(=O)/C=C\C[NH+](C)C)C1 ZINC000493062130 527759725 /nfs/dbraw/zinc/75/97/25/527759725.db2.gz ZKWIPNPDBRIZDV-ISALQUGTSA-N 2 0 225.336 0.315 20 0 BCADRP COCCOCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250170113 536515786 /nfs/dbraw/zinc/51/57/86/536515786.db2.gz MGHHBVXEQZZEFE-OLZOCXBDSA-N 2 0 242.363 0.866 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000494681296 528494994 /nfs/dbraw/zinc/49/49/94/528494994.db2.gz KLFUMUDNVRYOQQ-QJPTWQEYSA-N 2 0 241.379 0.911 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH3+] ZINC000494653031 528814096 /nfs/dbraw/zinc/81/40/96/528814096.db2.gz JZBDKNAAQBQKMK-LLVKDONJSA-N 2 0 229.368 0.960 20 0 BCADRP CC(C)[C@H](CO)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400322385 529023624 /nfs/dbraw/zinc/02/36/24/529023624.db2.gz CIAOOZOTUGTPOR-WOPDTQHZSA-N 2 0 214.353 0.981 20 0 BCADRP CC[N@@H+]1CCN(C(=O)/C=C/C[NH+](C)C)[C@H](C)C1 ZINC000492808029 529109256 /nfs/dbraw/zinc/10/92/56/529109256.db2.gz ZDAOFVYGRLKDEF-NNNHXZLVSA-N 2 0 239.363 0.657 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000495167623 529213745 /nfs/dbraw/zinc/21/37/45/529213745.db2.gz MWSUXVFTWSHXQA-GARJFASQSA-N 2 0 229.368 0.994 20 0 BCADRP CC[C@H](CCO)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400362173 529333072 /nfs/dbraw/zinc/33/30/72/529333072.db2.gz CKVZXLDUCRGGOK-GMTAPVOTSA-N 2 0 200.326 0.878 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000168049327 534930423 /nfs/dbraw/zinc/93/04/23/534930423.db2.gz ZQUXIJNQULSACX-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000261916266 534931190 /nfs/dbraw/zinc/93/11/90/534931190.db2.gz YWJOOAXGZPZDIZ-MNOVXSKESA-N 2 0 241.379 0.947 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C1CC[NH2+]CC1 ZINC000335661363 534981588 /nfs/dbraw/zinc/98/15/88/534981588.db2.gz BWIMKPWAPHUBPR-JTQLQIEISA-N 2 0 225.336 0.243 20 0 BCADRP CCCNC(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252667279 535004755 /nfs/dbraw/zinc/00/47/55/535004755.db2.gz IANYMEOCBPTUNO-WDEREUQCSA-N 2 0 240.351 0.374 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178407668 535048972 /nfs/dbraw/zinc/04/89/72/535048972.db2.gz RKRCBMRXAWPVBS-ONGXEEELSA-N 2 0 227.352 0.556 20 0 BCADRP CC(C)[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000262067785 535049876 /nfs/dbraw/zinc/04/98/76/535049876.db2.gz JSISWQDGRNFCQS-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000345787542 535075752 /nfs/dbraw/zinc/07/57/52/535075752.db2.gz ISASQLQYULDVFB-LOWVWBTDSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)C[N@@H+]1CC[C@@H](CNC2=[NH+]CCCN2)C1 ZINC000262461398 535134100 /nfs/dbraw/zinc/13/41/00/535134100.db2.gz XQEJZBPOLWSMME-LBPRGKRZSA-N 2 0 238.379 0.903 20 0 BCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH3+])C1 ZINC000168721510 535137773 /nfs/dbraw/zinc/13/77/73/535137773.db2.gz CLLDMTVQIPSRJG-GHMZBOCLSA-N 2 0 227.352 0.428 20 0 BCADRP CC1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)COC1 ZINC000087197493 535151609 /nfs/dbraw/zinc/15/16/09/535151609.db2.gz PLYWJOZUYRLRPF-NSHDSACASA-N 2 0 228.336 0.069 20 0 BCADRP CCCN(C(=O)CC[NH2+]C)[C@@H]1CC[NH2+]C1 ZINC000261541420 535201839 /nfs/dbraw/zinc/20/18/39/535201839.db2.gz FVSDMYRANFLDFW-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000261581735 535207777 /nfs/dbraw/zinc/20/77/77/535207777.db2.gz NVMXCCLTTKETMI-KXUCPTDWSA-N 2 0 213.325 0.356 20 0 BCADRP CCCN(C(=O)C[C@H](C)[NH3+])[C@@H]1CC[NH2+]C1 ZINC000261584536 535208319 /nfs/dbraw/zinc/20/83/19/535208319.db2.gz PXJWXQABRPKRRL-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)CC[C@@H](C)[NH3+] ZINC000262721035 535295922 /nfs/dbraw/zinc/29/59/22/535295922.db2.gz FSMMXBNQJLHTAW-PWSUYJOCSA-N 2 0 229.368 0.994 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[NH2+]CC1CC1 ZINC000262635322 535306540 /nfs/dbraw/zinc/30/65/40/535306540.db2.gz PKBQQFZBNPKPAD-GFCCVEGCSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCn1cccn1 ZINC000261537111 535308427 /nfs/dbraw/zinc/30/84/27/535308427.db2.gz UWZQYNVTWFMPNL-LLVKDONJSA-N 2 0 210.325 0.846 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262647719 535316436 /nfs/dbraw/zinc/31/64/36/535316436.db2.gz UBVWVKCQWUTREC-WOPDTQHZSA-N 2 0 239.363 0.713 20 0 BCADRP CC1(C)CN(C(=O)C[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000335627916 535335211 /nfs/dbraw/zinc/33/52/11/535335211.db2.gz VXBAZIVIAVBQQU-SNVBAGLBSA-N 2 0 225.336 0.339 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)CCC[NH3+] ZINC000261531866 535353209 /nfs/dbraw/zinc/35/32/09/535353209.db2.gz ICPJUUNVJJJTMP-VIFPVBQESA-N 2 0 201.314 0.359 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263192706 535475155 /nfs/dbraw/zinc/47/51/55/535475155.db2.gz IDDXLYVEPFMKNR-ZYHUDNBSSA-N 2 0 227.352 0.620 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351826833 535491181 /nfs/dbraw/zinc/49/11/81/535491181.db2.gz JTZMQSOXTLGJMM-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000178967561 535491377 /nfs/dbraw/zinc/49/13/77/535491377.db2.gz WDHDERUNJHLYJP-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000178967573 535492524 /nfs/dbraw/zinc/49/25/24/535492524.db2.gz WDHDERUNJHLYJP-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000335380576 535495064 /nfs/dbraw/zinc/49/50/64/535495064.db2.gz NKWFGZQEJBCDBM-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C1([NH3+])CCCCC1 ZINC000262464830 535510943 /nfs/dbraw/zinc/51/09/43/535510943.db2.gz NJZHYBRECZZXRL-SNVBAGLBSA-N 2 0 227.352 0.762 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C[NH2+]CC1CC1 ZINC000261556888 535512771 /nfs/dbraw/zinc/51/27/71/535512771.db2.gz WNCWEIDYXMQJRO-SECBINFHSA-N 2 0 213.325 0.100 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C[NH+](CC)CC ZINC000262455569 535512777 /nfs/dbraw/zinc/51/27/77/535512777.db2.gz KXTLACCFDQCLCB-SNVBAGLBSA-N 2 0 215.341 0.442 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000335305552 535514444 /nfs/dbraw/zinc/51/44/44/535514444.db2.gz QMOXPOXRGSEDRX-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C[C@H](C)[NH3+])C1 ZINC000261921516 535582015 /nfs/dbraw/zinc/58/20/15/535582015.db2.gz XRTJMSDCRSMRDL-RYUDHWBXSA-N 2 0 241.379 0.914 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)CC[C@@H](C)[NH3+] ZINC000069840098 535586640 /nfs/dbraw/zinc/58/66/40/535586640.db2.gz VBHWHSHVJLRWTL-MNOVXSKESA-N 2 0 229.368 0.960 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000089747552 535586863 /nfs/dbraw/zinc/58/68/63/535586863.db2.gz RVQCKARYYJPWBL-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP CC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC000334294526 535632749 /nfs/dbraw/zinc/63/27/49/535632749.db2.gz TZUHMBIEZXKSNG-VXGBXAGGSA-N 2 0 239.363 0.491 20 0 BCADRP CC[NH+](CC)[C@@H](CNC(=O)C[NH3+])CC(C)C ZINC000164410159 535653868 /nfs/dbraw/zinc/65/38/68/535653868.db2.gz RIQSNMYMNSCQJS-LLVKDONJSA-N 2 0 229.368 0.818 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000261540091 535758383 /nfs/dbraw/zinc/75/83/83/535758383.db2.gz DSEUYHIBXKHQSY-KOLCDFICSA-N 2 0 213.325 0.324 20 0 BCADRP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCOCC[NH3+] ZINC000086435479 535842241 /nfs/dbraw/zinc/84/22/41/535842241.db2.gz SQCBPYFKOICROT-WDEREUQCSA-N 2 0 216.325 0.461 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC[NH2+]C1 ZINC000364831349 535882105 /nfs/dbraw/zinc/88/21/05/535882105.db2.gz YHODHRJXIAFVSM-MDZLAQPJSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261579555 535953467 /nfs/dbraw/zinc/95/34/67/535953467.db2.gz MHNNQBSOKFTUEP-SFGNSQDASA-N 2 0 213.325 0.213 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000336041362 535957907 /nfs/dbraw/zinc/95/79/07/535957907.db2.gz KVUNHELKXSTBSP-NEPJUHHUSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000336041365 535959299 /nfs/dbraw/zinc/95/92/99/535959299.db2.gz KVUNHELKXSTBSP-VXGBXAGGSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000335368821 535963432 /nfs/dbraw/zinc/96/34/32/535963432.db2.gz PBEWQVDTVVZJMG-VXGBXAGGSA-N 2 0 239.363 0.396 20 0 BCADRP CC[C@H]1C[N@H+](CCOCC[NH3+])C[C@@H](C)O1 ZINC000261569155 536150889 /nfs/dbraw/zinc/15/08/89/536150889.db2.gz GFDYYSYAMMNMKT-MNOVXSKESA-N 2 0 216.325 0.461 20 0 BCADRP CNC(=O)[C@@H](C)C[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261695198 536344584 /nfs/dbraw/zinc/34/45/84/536344584.db2.gz BSOYQCOTAYUEIJ-CMPLNLGQSA-N 2 0 227.352 0.300 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000258416240 536373144 /nfs/dbraw/zinc/37/31/44/536373144.db2.gz IZQHUBGGEJFXMT-GHMZBOCLSA-N 2 0 240.351 0.132 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000261666709 536398911 /nfs/dbraw/zinc/39/89/11/536398911.db2.gz GJZPYXQKYIFHDT-RHYQMDGZSA-N 2 0 239.363 0.631 20 0 BCADRP C[NH2+][C@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000261548124 536412363 /nfs/dbraw/zinc/41/23/63/536412363.db2.gz NAZZHHYZWDAPAQ-LBPRGKRZSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000086068851 536461263 /nfs/dbraw/zinc/46/12/63/536461263.db2.gz PSPWIKJLYQBVMW-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000178867113 536462858 /nfs/dbraw/zinc/46/28/58/536462858.db2.gz GXZMZFMCLFEAIP-AXFHLTTASA-N 2 0 239.363 0.583 20 0 BCADRP CO[C@H](C[NH3+])C(=O)N(CC[NH+](C)C)CC(C)C ZINC000227368933 536554209 /nfs/dbraw/zinc/55/42/09/536554209.db2.gz QUCYVVPXGBHPPO-LLVKDONJSA-N 2 0 245.367 0.006 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852896590 583022047 /nfs/dbraw/zinc/02/20/47/583022047.db2.gz FJGIDZMARNJJLG-ZYHUDNBSSA-N 2 0 237.347 0.634 20 0 BCADRP C[C@]1(NC(=O)CCCCCC[NH3+])CC[NH2+]C1 ZINC000852929001 588713934 /nfs/dbraw/zinc/71/39/34/588713934.db2.gz WDUYZCYCKPSMRV-LBPRGKRZSA-N 2 0 227.352 0.764 20 0 BCADRP [NH3+]C1CCC([NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC000853246648 588728458 /nfs/dbraw/zinc/72/84/58/588728458.db2.gz OTTCGAAMSGFZGV-YYJSSNLHSA-N 3 0 209.337 0.455 20 0 BCADRP Cc1cc(N2CCC[C@@H]([NH+](C)C)C2)nc(N)[nH+]1 ZINC000112703371 588813149 /nfs/dbraw/zinc/81/31/49/588813149.db2.gz YUBCNNWXSYPQSM-SNVBAGLBSA-N 2 0 235.335 0.898 20 0 BCADRP [NH3+]Cc1ccc(C[NH2+]C2CCN(C=O)CC2)cc1 ZINC000843344297 582534603 /nfs/dbraw/zinc/53/46/03/582534603.db2.gz UIKPNIUGROZHRP-UHFFFAOYSA-N 2 0 247.342 0.856 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000846663620 582663954 /nfs/dbraw/zinc/66/39/54/582663954.db2.gz KRDZOVUPCZFEON-SDDRHHMPSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@H](CNC(=O)N1C[C@H]([NH3+])C[C@H]1C)[NH+](C)C ZINC000891940410 582741676 /nfs/dbraw/zinc/74/16/76/582741676.db2.gz QORJWUSOEVMLFO-KXUCPTDWSA-N 2 0 228.340 0.068 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000891978742 582751463 /nfs/dbraw/zinc/75/14/63/582751463.db2.gz FVYFQHSKKVDRFA-GMTAPVOTSA-N 2 0 240.351 0.023 20 0 BCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)NCCC[NH3+])C1 ZINC000891985020 582752779 /nfs/dbraw/zinc/75/27/79/582752779.db2.gz RDZOHCUMJOKLDM-JTQLQIEISA-N 2 0 242.367 0.413 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891986140 582753829 /nfs/dbraw/zinc/75/38/29/582753829.db2.gz DTJCFHUWZPZFCH-QWRGUYRKSA-N 2 0 240.351 0.130 20 0 BCADRP CC[NH2+]CCNC(=O)N1CCCC[C@@H]1C[NH2+]C ZINC000891996199 582756514 /nfs/dbraw/zinc/75/65/14/582756514.db2.gz ZNTVCOATGPFCDT-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP CCN(C(=O)NC[C@@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000891998694 582758216 /nfs/dbraw/zinc/75/82/16/582758216.db2.gz FRWDTAFKGYCUEW-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000892002279 582758805 /nfs/dbraw/zinc/75/88/05/582758805.db2.gz NINPHVHXXBHFJR-MNOVXSKESA-N 2 0 240.351 0.261 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892019964 582762412 /nfs/dbraw/zinc/76/24/12/582762412.db2.gz SSEDZHHUWCNRIR-AXFHLTTASA-N 2 0 240.351 0.116 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000892020653 582764235 /nfs/dbraw/zinc/76/42/35/582764235.db2.gz YELJQEBXOJXKGT-LPEHRKFASA-N 2 0 228.340 0.101 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000892020652 582764458 /nfs/dbraw/zinc/76/44/58/582764458.db2.gz YELJQEBXOJXKGT-KXUCPTDWSA-N 2 0 228.340 0.101 20 0 BCADRP CCN(C(=O)N[C@@H](C[NH3+])C1CC1)[C@@H]1CC[NH2+]C1 ZINC000892029356 582766208 /nfs/dbraw/zinc/76/62/08/582766208.db2.gz VBGTTZCFGKKWOY-MNOVXSKESA-N 2 0 240.351 0.117 20 0 BCADRP CC(C)([NH3+])CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892033707 582767410 /nfs/dbraw/zinc/76/74/10/582767410.db2.gz GFVWEYOBHKFKDQ-VHSXEESVSA-N 2 0 240.351 0.260 20 0 BCADRP CC(C)([NH3+])CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892034366 582768322 /nfs/dbraw/zinc/76/83/22/582768322.db2.gz NARAKXSYBXRVBN-UHFFFAOYSA-N 2 0 240.351 0.389 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000892037680 582769374 /nfs/dbraw/zinc/76/93/74/582769374.db2.gz JIVKBTRJHHBQRX-GARJFASQSA-N 2 0 242.367 0.491 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892038783 582770151 /nfs/dbraw/zinc/77/01/51/582770151.db2.gz ZQPXLMIGDVQWKI-OUAUKWLOSA-N 2 0 242.367 0.396 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NCC2C[NH2+]C2)CC1 ZINC000892047295 582772059 /nfs/dbraw/zinc/77/20/59/582772059.db2.gz NDKJYQXDSMRQLA-HOMQSWHASA-N 2 0 240.351 0.023 20 0 BCADRP CCC1([NH3+])CCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000892044986 582772197 /nfs/dbraw/zinc/77/21/97/582772197.db2.gz QTTFOBBWLDHOQA-JTQLQIEISA-N 2 0 242.367 0.494 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000892051209 582774873 /nfs/dbraw/zinc/77/48/73/582774873.db2.gz OZUDWPKDUALMCA-SECBINFHSA-N 2 0 228.340 0.150 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892052714 582775917 /nfs/dbraw/zinc/77/59/17/582775917.db2.gz FJLJIONLJVKGQK-FOGDFJRCSA-N 2 0 240.351 0.308 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000892054164 582777296 /nfs/dbraw/zinc/77/72/96/582777296.db2.gz RCHOHSLUQNQJFU-UWVGGRQHSA-N 2 0 228.340 0.247 20 0 BCADRP C[C@H](C[NH3+])NC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892061642 582780014 /nfs/dbraw/zinc/78/00/14/582780014.db2.gz IYLVNLFNQZZSDA-ZJUUUORDSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000892061419 582780159 /nfs/dbraw/zinc/78/01/59/582780159.db2.gz HYJAFIFCKVSMHP-MXWKQRLJSA-N 2 0 240.351 0.069 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000892090652 582788772 /nfs/dbraw/zinc/78/87/72/582788772.db2.gz XNKQKYZPLVRTCC-DBIOUOCHSA-N 2 0 240.351 0.293 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000892090657 582788910 /nfs/dbraw/zinc/78/89/10/582788910.db2.gz XNKQKYZPLVRTCC-NAKRPEOUSA-N 2 0 240.351 0.293 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000892090660 582788966 /nfs/dbraw/zinc/78/89/66/582788966.db2.gz XNKQKYZPLVRTCC-UKKRHICBSA-N 2 0 240.351 0.293 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000892089658 582789188 /nfs/dbraw/zinc/78/91/88/582789188.db2.gz VQZNRKXFHRDXTO-GARJFASQSA-N 2 0 240.351 0.389 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000892095871 582789609 /nfs/dbraw/zinc/78/96/09/582789609.db2.gz YWSNUSYBPVUNHT-ZNSHCXBVSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892101086 582791626 /nfs/dbraw/zinc/79/16/26/582791626.db2.gz BRBDXVHYOMWJHM-VHSXEESVSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N1CC[NH2+]CCC12CCC2 ZINC000892104063 582791719 /nfs/dbraw/zinc/79/17/19/582791719.db2.gz VJQFGBGRMMTOOS-SNVBAGLBSA-N 2 0 240.351 0.261 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N(C)CCCCCC[NH3+] ZINC000892104590 582792728 /nfs/dbraw/zinc/79/27/28/582792728.db2.gz YCJLDIKWSCAWAE-SNVBAGLBSA-N 2 0 230.356 0.494 20 0 BCADRP [NH3+]C/C=C/CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000892124010 582795402 /nfs/dbraw/zinc/79/54/02/582795402.db2.gz NKPBHVHBHMVCCP-UFLMBTITSA-N 2 0 226.324 0.070 20 0 BCADRP CCC1([NH3+])CCN(C(=O)NC/C=C\C[NH3+])CC1 ZINC000892123885 582795673 /nfs/dbraw/zinc/79/56/73/582795673.db2.gz IQDQCSZSOZYCLS-ARJAWSKDSA-N 2 0 240.351 0.414 20 0 BCADRP [NH3+]C/C=C\CNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892123019 582796067 /nfs/dbraw/zinc/79/60/67/582796067.db2.gz WSFWGUBJSFJXSZ-MSRAEHDGSA-N 2 0 238.335 0.085 20 0 BCADRP CCN(C(=O)N[C@H](C)CCC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000892141448 582799579 /nfs/dbraw/zinc/79/95/79/582799579.db2.gz OGDXRNJOWFDDRM-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H](NC(=O)N1C2CCC1(C[NH3+])CC2)[C@H](C)[NH3+] ZINC000892142250 582799915 /nfs/dbraw/zinc/79/99/15/582799915.db2.gz MUBBVYSWZQSWCH-SKMKEBHYSA-N 2 0 240.351 0.387 20 0 BCADRP CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])[C@@H]1CC[NH2+]C1 ZINC000892144076 582800624 /nfs/dbraw/zinc/80/06/24/582800624.db2.gz HLHPDFBSWDMPAI-IVZWLZJFSA-N 2 0 228.340 0.116 20 0 BCADRP CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])[C@H]1CC[NH2+]C1 ZINC000892144074 582800850 /nfs/dbraw/zinc/80/08/50/582800850.db2.gz HLHPDFBSWDMPAI-AEJSXWLSSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCCCCC[NH3+] ZINC000892208186 582807516 /nfs/dbraw/zinc/80/75/16/582807516.db2.gz OVLWUCUGWUVAEH-QWRGUYRKSA-N 2 0 242.367 0.637 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000892218225 582808452 /nfs/dbraw/zinc/80/84/52/582808452.db2.gz IABURIPKOUHMDY-UHFFFAOYSA-N 2 0 242.367 0.542 20 0 BCADRP C[C@@H]1CN(C(=[NH2+])NCCCC[NH+](C)C)CCO1 ZINC000848989764 582818574 /nfs/dbraw/zinc/81/85/74/582818574.db2.gz AAASLJXNKBGHKZ-LLVKDONJSA-N 2 0 242.367 0.573 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC(C)(C)[NH3+] ZINC000892280418 582826341 /nfs/dbraw/zinc/82/63/41/582826341.db2.gz AOJCFHCMWAKVNE-VHSXEESVSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[NH2+]1 ZINC000892289086 582828901 /nfs/dbraw/zinc/82/89/01/582828901.db2.gz BAGRIEJUUIIBCC-MMWGEVLESA-N 2 0 240.351 0.163 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)N2CCC[C@@H]2C[NH3+])C[NH2+]1 ZINC000892294269 582828999 /nfs/dbraw/zinc/82/89/99/582828999.db2.gz JDJDQQRPAKBTOS-HBNTYKKESA-N 2 0 240.351 0.260 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)NCCC(C)(C)[NH3+])C[NH2+]1 ZINC000892293519 582829299 /nfs/dbraw/zinc/82/92/99/582829299.db2.gz FRYDWSCRZXRFPU-VHSXEESVSA-N 2 0 242.367 0.554 20 0 BCADRP CCN(C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H]1CC[NH2+]C1 ZINC000892303151 582832519 /nfs/dbraw/zinc/83/25/19/582832519.db2.gz XIZKBQCUQZJZDQ-GARJFASQSA-N 2 0 240.351 0.130 20 0 BCADRP CCNC(=[NH2+])NCc1ccc2c[nH+]cn2c1 ZINC000849039995 582838382 /nfs/dbraw/zinc/83/83/82/582838382.db2.gz CUVDFGWJCZCLFY-UHFFFAOYSA-N 2 0 217.276 0.968 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000137394901 582872972 /nfs/dbraw/zinc/87/29/72/582872972.db2.gz SPHAXXOYXMQVCQ-RYUDHWBXSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H]1C[C@H](Nc2cc[nH+]cc2CO)CC[N@@H+]1C ZINC000892673850 582948501 /nfs/dbraw/zinc/94/85/01/582948501.db2.gz OZRBUSACYUMDJV-ZYHUDNBSSA-N 2 0 235.331 0.890 20 0 BCADRP CCC1([NH3+])CCN(C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000892934316 583012012 /nfs/dbraw/zinc/01/20/12/583012012.db2.gz CYZKDMSKMIUXLP-SNVBAGLBSA-N 2 0 242.367 0.589 20 0 BCADRP COCCOC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000892947183 583016311 /nfs/dbraw/zinc/01/63/11/583016311.db2.gz YPKYNHDQLQWCRW-OLZOCXBDSA-N 2 0 244.379 0.969 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1[NH2+]CC12CCCC2 ZINC000852825690 583018319 /nfs/dbraw/zinc/01/83/19/583018319.db2.gz NSTPSTXPDVOCTE-QWRGUYRKSA-N 2 0 237.347 0.387 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@@H]2C=C[C@H](CO)C2)CC1 ZINC000893367703 583126937 /nfs/dbraw/zinc/12/69/37/583126937.db2.gz PYAALIJYVAQYLR-QWHCGFSZSA-N 2 0 224.348 0.855 20 0 BCADRP CCn1ncc(CN2CCC([C@@H](C)[NH3+])CC2)n1 ZINC000857084407 588886677 /nfs/dbraw/zinc/88/66/77/588886677.db2.gz RRKZQHJLNFNJRA-SNVBAGLBSA-N 2 0 237.351 0.857 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000857103128 588887744 /nfs/dbraw/zinc/88/77/44/588887744.db2.gz CAJHEAKHCSKBNF-LPEHRKFASA-N 2 0 228.340 0.021 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000857107338 588888084 /nfs/dbraw/zinc/88/80/84/588888084.db2.gz RQESWWOPHTXRCH-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000857106863 588888141 /nfs/dbraw/zinc/88/81/41/588888141.db2.gz CLUKLRZCRAIABQ-IVZWLZJFSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N(C)C1CC[NH2+]CC1 ZINC000857106846 588888273 /nfs/dbraw/zinc/88/82/73/588888273.db2.gz BTJHBJDJLBRKGF-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCC[C@H](C)[NH3+])C1 ZINC000857107284 588888344 /nfs/dbraw/zinc/88/83/44/588888344.db2.gz QQOVATAZZPCMPB-AEJSXWLSSA-N 2 0 228.340 0.102 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000857108097 588888532 /nfs/dbraw/zinc/88/85/32/588888532.db2.gz BVRYHYZQKBHKFZ-JTQLQIEISA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000857110941 588889443 /nfs/dbraw/zinc/88/94/43/588889443.db2.gz XJQCEQOXPCDHDA-WDEREUQCSA-N 2 0 242.367 0.317 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000877272992 583306680 /nfs/dbraw/zinc/30/66/80/583306680.db2.gz BOIXZTDGJNAGFE-YTWAJWBKSA-N 2 0 223.320 0.077 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877289045 583308153 /nfs/dbraw/zinc/30/81/53/583308153.db2.gz RROFXCLIQDVBFE-WDEREUQCSA-N 2 0 239.363 0.857 20 0 BCADRP c1ncc(C[NH2+]CCCC[NH+]2CCOCC2)[nH]1 ZINC000894183173 583331039 /nfs/dbraw/zinc/33/10/39/583331039.db2.gz LKGLBJNVKZEIIG-UHFFFAOYSA-N 2 0 238.335 0.612 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000841848978 583364726 /nfs/dbraw/zinc/36/47/26/583364726.db2.gz YWAVBXWGQBDWLR-NSHDSACASA-N 2 0 227.352 0.620 20 0 BCADRP CCOC(=O)N1CCC([NH2+]CC[C@H](C)[NH3+])CC1 ZINC000857253633 588901341 /nfs/dbraw/zinc/90/13/41/588901341.db2.gz PVCCBKNDAOWFTJ-JTQLQIEISA-N 2 0 243.351 0.934 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)[C@H](C)C[NH2+]1 ZINC000841849382 583367631 /nfs/dbraw/zinc/36/76/31/583367631.db2.gz PWYQUEFCEBSHDQ-KKZNHRDASA-N 2 0 225.336 0.323 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000841850540 583388185 /nfs/dbraw/zinc/38/81/85/583388185.db2.gz DPDFCTUGWQAIHE-NEPJUHHUSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000894253486 583393590 /nfs/dbraw/zinc/39/35/90/583393590.db2.gz KEUAHBPCGJZYEH-CMPLNLGQSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCCNC2=O)CC1 ZINC000894874096 583541004 /nfs/dbraw/zinc/54/10/04/583541004.db2.gz ZFIHRBPREBEDIF-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP COCCOC[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000895208999 583626108 /nfs/dbraw/zinc/62/61/08/583626108.db2.gz PIRATKRRAWJOJW-RWMBFGLXSA-N 2 0 244.379 0.968 20 0 BCADRP C[C@@H](CC[NH2+][C@H]1CCNC(=O)CC1)[NH+](C)C ZINC000895294608 583638046 /nfs/dbraw/zinc/63/80/46/583638046.db2.gz XICNRTAJMDHIAV-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+]1CCCC1 ZINC000895685130 583709483 /nfs/dbraw/zinc/70/94/83/583709483.db2.gz KDUVPXSWGBIIQB-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP COCC1C[NH+](CC2CC[NH+](C)CC2)C1 ZINC000895975984 583753449 /nfs/dbraw/zinc/75/34/49/583753449.db2.gz JVBRJWGDDXULDO-UHFFFAOYSA-N 2 0 212.337 0.906 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000896023325 583764637 /nfs/dbraw/zinc/76/46/37/583764637.db2.gz ZYFQGHBNLKMYAN-RYUDHWBXSA-N 2 0 210.321 0.395 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883441096 583813935 /nfs/dbraw/zinc/81/39/35/583813935.db2.gz HDMHIETTZDRYLX-ZDEQEGDKSA-N 2 0 241.354 0.855 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000896667631 583821872 /nfs/dbraw/zinc/82/18/72/583821872.db2.gz JOVSNKZHUWBVRA-TUAOUCFPSA-N 2 0 239.363 0.680 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@H]2C[C@H](CO)C2)CC1 ZINC000897355642 583931455 /nfs/dbraw/zinc/93/14/55/583931455.db2.gz ZZGXJDUYQNYWPH-HAQNSBGRSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000870939754 583932156 /nfs/dbraw/zinc/93/21/56/583932156.db2.gz AQLWHGHDNGAZGP-ZYHUDNBSSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870941733 583932162 /nfs/dbraw/zinc/93/21/62/583932162.db2.gz YZRCVAJRFXTUFK-WYUUTHIRSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870981536 583932896 /nfs/dbraw/zinc/93/28/96/583932896.db2.gz JGKAZQOBRMKGBL-WOPDTQHZSA-N 2 0 239.363 0.522 20 0 BCADRP C[NH+](C)CCNC(=O)CCCC[NH+]1CCCC1 ZINC000729631201 584020442 /nfs/dbraw/zinc/02/04/42/584020442.db2.gz KMGRKXCPLDVGHJ-UHFFFAOYSA-N 2 0 241.379 0.930 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@]2(C)CCNC2=O)CC1 ZINC000897866554 584055608 /nfs/dbraw/zinc/05/56/08/584055608.db2.gz CPEIMGZMBJAKNE-GFCCVEGCSA-N 2 0 225.336 0.196 20 0 BCADRP C1O[C@H]2[C@H]([NH2+]C3CC[NH2+]CC3)[C@H]3C[C@H]1[C@@H]2C3 ZINC000873215422 584127245 /nfs/dbraw/zinc/12/72/45/584127245.db2.gz AFBCPSKRPFDNBV-WXDOIIRRSA-N 2 0 222.332 0.751 20 0 BCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC([NH+]2CCCC2)C1 ZINC000898598889 584144410 /nfs/dbraw/zinc/14/44/10/584144410.db2.gz FPPMWUQQIXNJRB-GFCCVEGCSA-N 2 0 237.347 0.387 20 0 BCADRP OC1(c2ccc(C3=CCC[NH2+]C3)cc2)C[NH2+]C1 ZINC000899324508 584196461 /nfs/dbraw/zinc/19/64/61/584196461.db2.gz MVEHOXZMBPQRAB-UHFFFAOYSA-N 2 0 230.311 0.854 20 0 BCADRP [NH3+]CCCCn1cc([C@@H]2CCCC[NH2+]2)nn1 ZINC000899694701 584226519 /nfs/dbraw/zinc/22/65/19/584226519.db2.gz KKLDHPNUTHWCKN-JTQLQIEISA-N 2 0 223.324 0.832 20 0 BCADRP CC[NH+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC000899904399 584251536 /nfs/dbraw/zinc/25/15/36/584251536.db2.gz LZPHFGCKEGXCEX-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900592214 584329362 /nfs/dbraw/zinc/32/93/62/584329362.db2.gz XEHPHCPBSVBCCB-NSHDSACASA-N 2 0 237.347 0.293 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2C)CC[N@@H+]1C ZINC000900667851 584337376 /nfs/dbraw/zinc/33/73/76/584337376.db2.gz UWCRBRQFHVFORL-OUAUKWLOSA-N 2 0 225.336 0.147 20 0 BCADRP CC[C@@H](C(=O)N1CCN(C)[C@H](C)[C@@H]1C)[NH+](C)C ZINC000901306359 584420077 /nfs/dbraw/zinc/42/00/77/584420077.db2.gz JZCGHJOQKREARC-WOPDTQHZSA-N 2 0 241.379 0.878 20 0 BCADRP COC[C@@](C)(O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361472 584572095 /nfs/dbraw/zinc/57/20/95/584572095.db2.gz PPRBKVJSTBCABW-AAEUAGOBSA-N 2 0 244.379 0.752 20 0 BCADRP [NH3+]C1(CN[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000902411391 584575958 /nfs/dbraw/zinc/57/59/58/584575958.db2.gz ZAHKBPQHRVPZDU-SNVBAGLBSA-N 2 0 209.337 0.742 20 0 BCADRP COCC[C@@H](CO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902383266 584576769 /nfs/dbraw/zinc/57/67/69/584576769.db2.gz KKLZPFGMDVSKPY-NEPJUHHUSA-N 2 0 244.379 0.752 20 0 BCADRP COC[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902383192 584577007 /nfs/dbraw/zinc/57/70/07/584577007.db2.gz CZCZNKOSSVGNSW-GHMZBOCLSA-N 2 0 230.352 0.362 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391416 584581880 /nfs/dbraw/zinc/58/18/80/584581880.db2.gz WZKKQYBAHYBXTF-GRYCIOLGSA-N 2 0 242.363 0.768 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902397627 584585274 /nfs/dbraw/zinc/58/52/74/584585274.db2.gz NLSVZAAYGIXWSU-GFCCVEGCSA-N 3 0 243.395 0.590 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]CCCON)[C@H]2CCC[C@H]21 ZINC000902416636 584590229 /nfs/dbraw/zinc/59/02/29/584590229.db2.gz VHXOMWCDVUICFB-GRYCIOLGSA-N 2 0 227.352 0.729 20 0 BCADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCON ZINC000902416601 584590596 /nfs/dbraw/zinc/59/05/96/584590596.db2.gz UPUSDZWERDTNKD-DGCLKSJQSA-N 2 0 237.347 0.815 20 0 BCADRP CC[N@@H+]1CC[C@H](NCC2([NH3+])CC2)[C@@H](C)C1 ZINC000902416942 584590919 /nfs/dbraw/zinc/59/09/19/584590919.db2.gz PWVDGRHAPISZHQ-QWRGUYRKSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCON ZINC000902417689 584591089 /nfs/dbraw/zinc/59/10/89/584591089.db2.gz YQTHWKMJIDGLTP-NXEZZACHSA-N 2 0 201.314 0.245 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902446123 584592534 /nfs/dbraw/zinc/59/25/34/584592534.db2.gz SAFILNXOPGDNNW-IJLUTSLNSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])C1C[NH2+]C1 ZINC000902431598 584595477 /nfs/dbraw/zinc/59/54/77/584595477.db2.gz GCSCYLSAVQHTGF-OWYVNGRQSA-N 2 0 231.343 0.809 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902443091 584598161 /nfs/dbraw/zinc/59/81/61/584598161.db2.gz JYEUYSPYVVGBHB-MXWKQRLJSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902443097 584598162 /nfs/dbraw/zinc/59/81/62/584598162.db2.gz JYEUYSPYVVGBHB-VWYCJHECSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902443094 584598538 /nfs/dbraw/zinc/59/85/38/584598538.db2.gz JYEUYSPYVVGBHB-OUAUKWLOSA-N 2 0 211.353 0.572 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000902444993 584599002 /nfs/dbraw/zinc/59/90/02/584599002.db2.gz PCXSNZCXZOQUQE-DCAQKATOSA-N 2 0 223.364 0.844 20 0 BCADRP NOCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000902414791 584600531 /nfs/dbraw/zinc/60/05/31/584600531.db2.gz CJADGBHTERTEPZ-OUAUKWLOSA-N 2 0 213.325 0.245 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902479492 584604275 /nfs/dbraw/zinc/60/42/75/584604275.db2.gz YGAZXIAANRDVGD-TUAOUCFPSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902452119 584607322 /nfs/dbraw/zinc/60/73/22/584607322.db2.gz IVYWIOMIVUMCKG-DDPKUIBDSA-N 2 0 222.332 0.892 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902451575 584607627 /nfs/dbraw/zinc/60/76/27/584607627.db2.gz GPICTWZFJIVFOG-QKFSQAGISA-N 2 0 240.347 0.506 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902459095 584610796 /nfs/dbraw/zinc/61/07/96/584610796.db2.gz BCSLMKRCKRICPO-KKJSVHSVSA-N 2 0 209.337 0.609 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]CCCc1nnnn1C ZINC000902460022 584610806 /nfs/dbraw/zinc/61/08/06/584610806.db2.gz FJTWRGQZOWKKHU-JTQLQIEISA-N 2 0 240.355 0.250 20 0 BCADRP C[C@@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461036 584611321 /nfs/dbraw/zinc/61/13/21/584611321.db2.gz KRVAHMLNPMXFBN-KIJLLGNVSA-N 2 0 239.363 0.236 20 0 BCADRP C[C@H](C[C@H]1COCC[NH2+]1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461037 584611579 /nfs/dbraw/zinc/61/15/79/584611579.db2.gz KRVAHMLNPMXFBN-KSSYENDESA-N 2 0 239.363 0.236 20 0 BCADRP C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000902461759 584611584 /nfs/dbraw/zinc/61/15/84/584611584.db2.gz REOKODJWVDYGHC-YBXAARCKSA-N 2 0 209.337 0.609 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461221 584611683 /nfs/dbraw/zinc/61/16/83/584611683.db2.gz MQQYBHVLISLOTR-ZDCRXTMVSA-N 2 0 209.337 0.609 20 0 BCADRP C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CCCC[NH2+]1 ZINC000902462645 584612057 /nfs/dbraw/zinc/61/20/57/584612057.db2.gz WTXUJTNNOVOKHJ-JZRPKSSGSA-N 2 0 223.364 1.000 20 0 BCADRP Cn1cnc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000902462642 584612588 /nfs/dbraw/zinc/61/25/88/584612588.db2.gz WQQCQJPRHSIWEB-SDDRHHMPSA-N 2 0 234.347 0.898 20 0 BCADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)[NH2+]2 ZINC000902464920 584613115 /nfs/dbraw/zinc/61/31/15/584613115.db2.gz FNIHHBOLWDCDBK-BUWWMVEJSA-N 2 0 235.375 0.998 20 0 BCADRP C[C@@H]1C[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[N@@H+]1C ZINC000902464875 584613200 /nfs/dbraw/zinc/61/32/00/584613200.db2.gz DHRBAWBGBKNTPX-NZEXEKPDSA-N 2 0 223.364 0.952 20 0 BCADRP C1C[C@@H]2[NH2+][C@H]1C[C@H]2[NH2+][C@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000902469276 584615757 /nfs/dbraw/zinc/61/57/57/584615757.db2.gz VNLUXSMFYWQZSE-GUDWOMEESA-N 3 0 235.375 0.857 20 0 BCADRP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CCN1C ZINC000902490061 584617701 /nfs/dbraw/zinc/61/77/01/584617701.db2.gz RHZLXOBFOKWXMO-YFKTTZPYSA-N 2 0 211.353 0.796 20 0 BCADRP COC[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)C(C)C ZINC000902491358 584618228 /nfs/dbraw/zinc/61/82/28/584618228.db2.gz WAQHLHCBWFSCOX-GMTAPVOTSA-N 2 0 200.326 0.984 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000902490801 584618328 /nfs/dbraw/zinc/61/83/28/584618328.db2.gz VXTQQVDWLNHTRL-JHEVNIALSA-N 2 0 239.363 0.080 20 0 BCADRP O=CN1CCC([NH2+]C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000902482977 584624264 /nfs/dbraw/zinc/62/42/64/584624264.db2.gz OHWDTSPZNOTCJB-ZDUSSCGKSA-N 2 0 239.363 0.729 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+]C2CCN(C3CC3)CC2)C1 ZINC000902485912 584625311 /nfs/dbraw/zinc/62/53/11/584625311.db2.gz BDVQWXFIKIJGLY-UMSPYCQHSA-N 3 0 223.364 0.940 20 0 BCADRP C[C@@H](C[C@H]1COCCN1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486262 584625490 /nfs/dbraw/zinc/62/54/90/584625490.db2.gz CMWWJUDSERDURB-BJDJZHNGSA-N 2 0 227.352 0.080 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1)[NH2+]2 ZINC000902487538 584625778 /nfs/dbraw/zinc/62/57/78/584625778.db2.gz JRMBEVVDXBYPRZ-OJEZURLMSA-N 3 0 223.364 0.842 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000902514805 584629176 /nfs/dbraw/zinc/62/91/76/584629176.db2.gz QFZUZICXBBJBDO-GARJFASQSA-N 2 0 216.325 0.101 20 0 BCADRP C[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)C1C[NH2+]C1 ZINC000902517550 584630188 /nfs/dbraw/zinc/63/01/88/584630188.db2.gz JJVGMKPTXJTYPR-KPXOXKRLSA-N 2 0 210.321 0.609 20 0 BCADRP C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)C1C[NH2+]C1 ZINC000902517552 584630210 /nfs/dbraw/zinc/63/02/10/584630210.db2.gz JJVGMKPTXJTYPR-XXILOJSOSA-N 2 0 210.321 0.609 20 0 BCADRP C[NH+](C)CCC[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903056187 584722557 /nfs/dbraw/zinc/72/25/57/584722557.db2.gz RHGJMRVBJFFIMX-VXGBXAGGSA-N 2 0 228.336 0.476 20 0 BCADRP NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC000903432408 584761958 /nfs/dbraw/zinc/76/19/58/584761958.db2.gz AWIMPLXRMCWXEB-TUAOUCFPSA-N 2 0 239.363 0.844 20 0 BCADRP CC[N@H+](CCCO)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903439112 584762814 /nfs/dbraw/zinc/76/28/14/584762814.db2.gz DPLPNPDVTWWSER-MNOVXSKESA-N 2 0 200.326 0.546 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCCC[C@@H]1C[NH3+] ZINC000903421697 584763661 /nfs/dbraw/zinc/76/36/61/584763661.db2.gz RUTSTAXHPROYJS-GRYCIOLGSA-N 2 0 211.353 0.655 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903424969 584764909 /nfs/dbraw/zinc/76/49/09/584764909.db2.gz NPJJDXGJQDOLIZ-NDBYEHHHSA-N 2 0 225.380 0.901 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903424951 584765365 /nfs/dbraw/zinc/76/53/65/584765365.db2.gz NBWKDKAJRZJROT-IJLUTSLNSA-N 2 0 211.353 0.798 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC3(CC[NH2+]3)CC2)C1 ZINC000903460039 584766865 /nfs/dbraw/zinc/76/68/65/584766865.db2.gz VDTVIEXUBLWZAP-NWDGAFQWSA-N 3 0 223.364 0.942 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C[C@H]1CCC[NH2+]1)C2 ZINC000903464504 584766919 /nfs/dbraw/zinc/76/69/19/584766919.db2.gz PTMFHCRNSSCAHM-UTUOFQBUSA-N 2 0 209.337 0.552 20 0 BCADRP CCOCC[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903441872 584767068 /nfs/dbraw/zinc/76/70/68/584767068.db2.gz CUBKRCIZBWDKRR-CYBMUJFWSA-N 2 0 241.379 0.393 20 0 BCADRP [NH3+][C@@H]1CC[C@H](CN(C2CC2)[C@@H]2CC[NH2+]C2)C1 ZINC000903445990 584769812 /nfs/dbraw/zinc/76/98/12/584769812.db2.gz QLTIRWFALRXLGM-DMDPSCGWSA-N 2 0 223.364 0.940 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2CN(C[C@H]3CCC[NH2+]3)C[C@@H]21 ZINC000903447149 584770765 /nfs/dbraw/zinc/77/07/65/584770765.db2.gz GXPCBNRHXPFXEI-QNWHQSFQSA-N 2 0 223.364 0.798 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903447398 584770868 /nfs/dbraw/zinc/77/08/68/584770868.db2.gz QVDWSIQQDRUALE-KKOKHZNYSA-N 2 0 211.353 0.511 20 0 BCADRP [NH3+]C[C@@H]1CN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CCO1 ZINC000903448480 584771208 /nfs/dbraw/zinc/77/12/08/584771208.db2.gz GNKFQAPLUBCRQW-CHWFTXMASA-N 2 0 246.301 0.937 20 0 BCADRP CC[C@H]1CN(C[C@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000903449465 584771524 /nfs/dbraw/zinc/77/15/24/584771524.db2.gz CBKUKIXLMGEBGZ-TUAOUCFPSA-N 2 0 211.353 0.798 20 0 BCADRP CC[C@H]1CN(C[C@@H]2C[NH2+]C[C@H]2C)CC[C@@H]1[NH3+] ZINC000903450465 584771939 /nfs/dbraw/zinc/77/19/39/584771939.db2.gz WLIYNHYITRJXQJ-VOAKCMCISA-N 2 0 225.380 0.901 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH2+]C[C@H]1C(F)F ZINC000903452635 584772164 /nfs/dbraw/zinc/77/21/64/584772164.db2.gz OTHGSQKPDSTUBH-UTLUCORTSA-N 2 0 233.306 0.381 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000903452453 584772195 /nfs/dbraw/zinc/77/21/95/584772195.db2.gz MOEQNSYQQYMVLK-UTUOFQBUSA-N 2 0 209.337 0.422 20 0 BCADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1(CN)CCC1 ZINC000903453917 584772624 /nfs/dbraw/zinc/77/26/24/584772624.db2.gz PIPKGTGBGBJGMV-MNOVXSKESA-N 2 0 211.353 0.927 20 0 BCADRP CCN1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC1=O ZINC000903456055 584773980 /nfs/dbraw/zinc/77/39/80/584773980.db2.gz DKVQWFZBFHQNMX-NEPJUHHUSA-N 2 0 239.363 0.668 20 0 BCADRP CCC[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457242 584774240 /nfs/dbraw/zinc/77/42/40/584774240.db2.gz OTTZWHWEQMBBFS-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000903475734 584776674 /nfs/dbraw/zinc/77/66/74/584776674.db2.gz BSRJCSYURJSEIR-RFGFWPKPSA-N 2 0 237.391 0.916 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000903475984 584776843 /nfs/dbraw/zinc/77/68/43/584776843.db2.gz JREZFYUGUAOMMQ-GRYCIOLGSA-N 2 0 209.337 0.565 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903476723 584777106 /nfs/dbraw/zinc/77/71/06/584777106.db2.gz HJYRDBBCRBBEAC-VXGBXAGGSA-N 2 0 211.353 0.942 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCc3ncncc3C2)C1 ZINC000903481761 584778039 /nfs/dbraw/zinc/77/80/39/584778039.db2.gz MBPDQUGSQQLEKX-CMPLNLGQSA-N 2 0 232.331 0.962 20 0 BCADRP CO[C@@H]1COCC[C@@H]1[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903481495 584778108 /nfs/dbraw/zinc/77/81/08/584778108.db2.gz DQMRJQVQIWUCKE-MROQNXINSA-N 2 0 242.363 0.850 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CC[NH2+]CCC12CCC2 ZINC000903482682 584778846 /nfs/dbraw/zinc/77/88/46/584778846.db2.gz PAIAVNXWTOPCSJ-GFCCVEGCSA-N 2 0 223.364 0.956 20 0 BCADRP C(N[C@H]1CC[NH2+]C12CCCC2)[C@@H]1CC[NH2+]C1 ZINC000903483658 584779510 /nfs/dbraw/zinc/77/95/10/584779510.db2.gz JESTWQFLRSPILV-NEPJUHHUSA-N 2 0 223.364 0.860 20 0 BCADRP C(N[C@@H]1CC[NH2+]C12CCCC2)[C@H]1CC[NH2+]C1 ZINC000903483659 584779663 /nfs/dbraw/zinc/77/96/63/584779663.db2.gz JESTWQFLRSPILV-NWDGAFQWSA-N 2 0 223.364 0.860 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903499199 584780342 /nfs/dbraw/zinc/78/03/42/584780342.db2.gz JNDQMTYZIOJZNN-FRRDWIJNSA-N 3 0 225.380 0.903 20 0 BCADRP C[NH2+]C[C@@H]1CCCCN1C[C@H]1CCC[NH2+]1 ZINC000903527355 584781499 /nfs/dbraw/zinc/78/14/99/584781499.db2.gz WFTDOAAPRZLJTC-NEPJUHHUSA-N 2 0 211.353 0.812 20 0 BCADRP C[NH2+]C[C@@H]1CCCCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903527064 584781577 /nfs/dbraw/zinc/78/15/77/584781577.db2.gz RNBQZXZNIBNBFL-AGIUHOORSA-N 2 0 225.380 0.916 20 0 BCADRP [NH3+]CCCN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903541415 584781615 /nfs/dbraw/zinc/78/16/15/584781615.db2.gz VRWNOOJDXNOWNY-JGVFFNPUSA-N 2 0 225.258 0.547 20 0 BCADRP CC1(C)CN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1[NH3+] ZINC000903557319 584783088 /nfs/dbraw/zinc/78/30/88/584783088.db2.gz NORLXDQPGZVJNM-MNOVXSKESA-N 3 0 239.363 0.177 20 0 BCADRP [NH3+]CCN1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903568322 584783496 /nfs/dbraw/zinc/78/34/96/584783496.db2.gz JYZJMMWMYUZNQN-SECBINFHSA-N 2 0 223.295 0.722 20 0 BCADRP CN(C[C@H]1CCCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000903716785 584791701 /nfs/dbraw/zinc/79/17/01/584791701.db2.gz SAHLSESGEYQWGU-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903716543 584791865 /nfs/dbraw/zinc/79/18/65/584791865.db2.gz OPTYMLYEQAUGHK-YNEHKIRRSA-N 3 0 239.363 0.036 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903716541 584791912 /nfs/dbraw/zinc/79/19/12/584791912.db2.gz OPTYMLYEQAUGHK-RWMBFGLXSA-N 3 0 239.363 0.036 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC[C@@H](O)C[NH+]1CCCC1 ZINC000903718112 584792552 /nfs/dbraw/zinc/79/25/52/584792552.db2.gz ZVMOAAUFXVLCCA-OLZOCXBDSA-N 2 0 243.395 0.406 20 0 BCADRP CC[N@H+](CCCO)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903732597 584792973 /nfs/dbraw/zinc/79/29/73/584792973.db2.gz GRQJPWQFXKPTSR-STQMWFEESA-N 2 0 242.363 0.459 20 0 BCADRP CC[C@@H]1C(=O)NCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000903712555 584793102 /nfs/dbraw/zinc/79/31/02/584793102.db2.gz NTTVQAJOYAHCFY-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@@H]1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903712856 584793795 /nfs/dbraw/zinc/79/37/95/584793795.db2.gz AIUNUQYWHIUKBO-NEPJUHHUSA-N 2 0 239.363 0.178 20 0 BCADRP CN(C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H]1CC[NH2+]C1 ZINC000903715885 584794060 /nfs/dbraw/zinc/79/40/60/584794060.db2.gz BFFZDPONFUJSGD-AGIUHOORSA-N 2 0 239.363 0.049 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000903716052 584794159 /nfs/dbraw/zinc/79/41/59/584794159.db2.gz GWIKKUGYXPOWOS-YFKTTZPYSA-N 2 0 240.347 0.855 20 0 BCADRP C[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC000903715988 584794323 /nfs/dbraw/zinc/79/43/23/584794323.db2.gz DSMHQPIXCQJTIA-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@H](C[NH3+])N(C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903716215 584794491 /nfs/dbraw/zinc/79/44/91/584794491.db2.gz JRQSMPZFCKMACS-NEPJUHHUSA-N 2 0 241.379 0.424 20 0 BCADRP CN(C[C@H]1CCCC[NH2+]C1)C1CC([NH3+])C1 ZINC000903749388 584794590 /nfs/dbraw/zinc/79/45/90/584794590.db2.gz KIGUBBWHNWNPDA-UNXYVOJBSA-N 2 0 211.353 0.798 20 0 BCADRP C[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC([NH3+])C1 ZINC000903748871 584794951 /nfs/dbraw/zinc/79/49/51/584794951.db2.gz CAYHNVLYJWCVJU-TUUUFIMRSA-N 3 0 239.363 0.177 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@H]1CCCC[NH2+]C1 ZINC000903751625 584795607 /nfs/dbraw/zinc/79/56/07/584795607.db2.gz HVTQIZGUGNREIA-SRVKXCTJSA-N 2 0 211.353 0.798 20 0 BCADRP [NH3+]C[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000903744392 584796836 /nfs/dbraw/zinc/79/68/36/584796836.db2.gz RSCAMENXVJQKEH-VXGBXAGGSA-N 2 0 227.352 0.036 20 0 BCADRP CN(CC[NH3+])CCOC1CCSCC1 ZINC000903760943 584797625 /nfs/dbraw/zinc/79/76/25/584797625.db2.gz LQQJBJKFJDRQKV-UHFFFAOYSA-N 2 0 218.366 0.789 20 0 BCADRP c1ncn([C@@H]2CC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)n1 ZINC000903755421 584798460 /nfs/dbraw/zinc/79/84/60/584798460.db2.gz GYRVHRMEWKGYSM-CHWSQXEVSA-N 2 0 249.362 0.915 20 0 BCADRP C[C@H]([NH3+])CN(C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903775075 584799031 /nfs/dbraw/zinc/79/90/31/584799031.db2.gz HGNFZJKMCJGRAP-TUAOUCFPSA-N 2 0 227.352 0.034 20 0 BCADRP C([C@H]1CCCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903779117 584799718 /nfs/dbraw/zinc/79/97/18/584799718.db2.gz UJVACSDXFKQESF-RWMBFGLXSA-N 2 0 223.364 0.812 20 0 BCADRP C([C@H]1CCCC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000903778022 584799842 /nfs/dbraw/zinc/79/98/42/584799842.db2.gz ITBMJOZFGURCSR-SRVKXCTJSA-N 2 0 209.337 0.422 20 0 BCADRP CC[N@H+](CCC(N)=O)C[C@H]1CCCC[NH2+]C1 ZINC000903786357 584800395 /nfs/dbraw/zinc/80/03/95/584800395.db2.gz HOMXLSJYDZSWQC-NSHDSACASA-N 2 0 227.352 0.573 20 0 BCADRP OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903785489 584800513 /nfs/dbraw/zinc/80/05/13/584800513.db2.gz ZABCUYBIUKSADP-VXGBXAGGSA-N 2 0 212.337 0.833 20 0 BCADRP C[NH2+]CCCN1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903802287 584802486 /nfs/dbraw/zinc/80/24/86/584802486.db2.gz RNGCUZKTGHETHN-VXGBXAGGSA-N 2 0 211.353 0.799 20 0 BCADRP [NH3+]CCN1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810518 584803291 /nfs/dbraw/zinc/80/32/91/584803291.db2.gz CYYVKPUJUCGFPU-NSHDSACASA-N 2 0 211.353 0.929 20 0 BCADRP CO[C@@H]1CC[C@H]1[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903829598 584805746 /nfs/dbraw/zinc/80/57/46/584805746.db2.gz IDNPGNGKQBRHPT-IJLUTSLNSA-N 2 0 240.347 0.474 20 0 BCADRP C[C@@H]1CCOCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903833447 584806278 /nfs/dbraw/zinc/80/62/78/584806278.db2.gz WVOAHQBNXYJEFB-NEPJUHHUSA-N 2 0 240.347 0.618 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000903842963 584807764 /nfs/dbraw/zinc/80/77/64/584807764.db2.gz YWHJGLPTXDOVSE-RVMXOQNASA-N 3 0 223.364 0.798 20 0 BCADRP [NH3+]C[C@]12CC[C@@H]1CCN2C[C@@H]1CC[NH2+]C1 ZINC000903849624 584807921 /nfs/dbraw/zinc/80/79/21/584807921.db2.gz FKRSICZGZZERTK-IJLUTSLNSA-N 2 0 209.337 0.409 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903858911 584810781 /nfs/dbraw/zinc/81/07/81/584810781.db2.gz KCGKBJLTEKYPFH-YVECIDJPSA-N 2 0 223.364 0.655 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903858906 584811372 /nfs/dbraw/zinc/81/13/72/584811372.db2.gz KCGKBJLTEKYPFH-MROQNXINSA-N 2 0 223.364 0.655 20 0 BCADRP CSC[C@H](O)CN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903864092 584812916 /nfs/dbraw/zinc/81/29/16/584812916.db2.gz RCVKNLTZWKNDHU-AXFHLTTASA-N 2 0 230.377 0.524 20 0 BCADRP C(C[N@@H+]1CCC[C@@]12CC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000903869890 584814629 /nfs/dbraw/zinc/81/46/29/584814629.db2.gz KFVOMNYXKXYLHL-STQMWFEESA-N 3 0 223.364 0.814 20 0 BCADRP [NH3+]C[C@H]1CCCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903873086 584815134 /nfs/dbraw/zinc/81/51/34/584815134.db2.gz FMKAZRKQFCMXSE-BDAKNGLRSA-N 2 0 221.295 0.640 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C[C@@H]([NH3+])CC(F)F ZINC000903874336 584815812 /nfs/dbraw/zinc/81/58/12/584815812.db2.gz YEPLOGANJNZJIL-SFYZADRCSA-N 2 0 207.268 0.263 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C[C@@H]([NH3+])CC(F)F ZINC000903874174 584815900 /nfs/dbraw/zinc/81/59/00/584815900.db2.gz UNBFBCOYUYJEGQ-YIZRAAEISA-N 2 0 221.295 0.651 20 0 BCADRP C[NH2+][C@H]1CCCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903874288 584815929 /nfs/dbraw/zinc/81/59/29/584815929.db2.gz XHFFQMYHFAJGAB-IUCAKERBSA-N 2 0 221.295 0.653 20 0 BCADRP C[NH2+][C@H]1CCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903873634 584815931 /nfs/dbraw/zinc/81/59/31/584815931.db2.gz JVCXHYWVENCAHG-SFYZADRCSA-N 2 0 207.268 0.263 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903874266 584816241 /nfs/dbraw/zinc/81/62/41/584816241.db2.gz WQRIBXWYJXNXFI-XHNCKOQMSA-N 2 0 221.295 0.638 20 0 BCADRP C[C@@]1(C2CC2)COCCN1C[C@H]1C[NH2+]CCO1 ZINC000903881148 584817641 /nfs/dbraw/zinc/81/76/41/584817641.db2.gz FKSHSFIVBGZAKR-OLZOCXBDSA-N 2 0 240.347 0.476 20 0 BCADRP O[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903884241 584818556 /nfs/dbraw/zinc/81/85/56/584818556.db2.gz VNZSHXNWHJBGTF-YATPEIPISA-N 2 0 210.321 0.584 20 0 BCADRP O[C@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903883296 584818600 /nfs/dbraw/zinc/81/86/00/584818600.db2.gz HHCFGUSIXYPATA-ZDUSSCGKSA-N 2 0 232.327 0.899 20 0 BCADRP OC[C@H]1CCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903885730 584819248 /nfs/dbraw/zinc/81/92/48/584819248.db2.gz KBPIAXNNVISOAZ-PSEXLTFBSA-N 2 0 224.348 0.974 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000903895227 584820060 /nfs/dbraw/zinc/82/00/60/584820060.db2.gz LSOUMTIIYIDRLB-LPEHRKFASA-N 2 0 233.306 0.653 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000903905251 584821357 /nfs/dbraw/zinc/82/13/57/584821357.db2.gz BTUOEDMXPUTMHC-LPEHRKFASA-N 2 0 233.306 0.795 20 0 BCADRP CC(C)(C)[C@H](CO)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903908581 584821618 /nfs/dbraw/zinc/82/16/18/584821618.db2.gz LKUSYMBYHUJDKE-YUMQZZPRSA-N 2 0 224.295 0.966 20 0 BCADRP C[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)[C@@H](C)C[N@@H+]1C ZINC000903908255 584821649 /nfs/dbraw/zinc/82/16/49/584821649.db2.gz FUSQNSIKRWWQDZ-UTLUCORTSA-N 2 0 235.322 0.993 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@H]([NH3+])CC(F)F ZINC000903908254 584821770 /nfs/dbraw/zinc/82/17/70/584821770.db2.gz FUSQNSIKRWWQDZ-OPRDCNLKSA-N 2 0 235.322 0.993 20 0 BCADRP CC[C@@H]([NH3+])C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918722 584822666 /nfs/dbraw/zinc/82/26/66/584822666.db2.gz GEVQPDYFUMPMBB-RDFFEMEHSA-N 3 0 211.353 0.844 20 0 BCADRP CC[NH2+][C@H](C)CNC[C@H]([NH3+])CC(F)F ZINC000903918730 584822810 /nfs/dbraw/zinc/82/28/10/584822810.db2.gz GJMYLBDRCDCMIM-HTQZYQBOSA-N 2 0 209.284 0.557 20 0 BCADRP C([NH2+][C@@H]1CCCNC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920443 584822883 /nfs/dbraw/zinc/82/28/83/584822883.db2.gz VEBSMPGWJHRFHW-PSEXLTFBSA-N 2 0 223.364 0.859 20 0 BCADRP [NH3+][C@H](CN[C@H]1CCC[C@H]([NH3+])C1)CC(F)F ZINC000903920570 584823071 /nfs/dbraw/zinc/82/30/71/584823071.db2.gz WCNQDSCVLKORSP-CIUDSAMLSA-N 2 0 221.295 0.828 20 0 BCADRP C[C@@H](C[NH3+])C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920728 584823112 /nfs/dbraw/zinc/82/31/12/584823112.db2.gz WWYIAGXLBODBGD-YEJSDXFRSA-N 3 0 211.353 0.701 20 0 BCADRP [NH3+][C@H](C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903919255 584823165 /nfs/dbraw/zinc/82/31/65/584823165.db2.gz LHHCRHMGTQEZLG-PLKNYFGKSA-N 3 0 223.364 0.844 20 0 BCADRP [NH3+][C@@H](CNC[C@@H]1C[C@H](F)C[NH2+]1)CC(F)F ZINC000903920305 584823220 /nfs/dbraw/zinc/82/32/20/584823220.db2.gz SHUPLJWHKNKAME-RNJXMRFFSA-N 2 0 225.258 0.259 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC[C@@H]([NH3+])CC(F)F ZINC000903920536 584823348 /nfs/dbraw/zinc/82/33/48/584823348.db2.gz VWSZQQDQUDJQPG-IUCAKERBSA-N 2 0 235.322 0.947 20 0 BCADRP CN(C)C(=O)CC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903922349 584823483 /nfs/dbraw/zinc/82/34/83/584823483.db2.gz VYWIYRIJYZISDF-YOGCLGLASA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H]([NH3+])CC(F)F ZINC000903931228 584824808 /nfs/dbraw/zinc/82/48/08/584824808.db2.gz BCKWZWVBCYICJA-HRDYMLBCSA-N 2 0 221.295 0.781 20 0 BCADRP C[NH2+]C[C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903932726 584824896 /nfs/dbraw/zinc/82/48/96/584824896.db2.gz GBLJLXKKQZJPPG-YEJSDXFRSA-N 3 0 211.353 0.715 20 0 BCADRP CN(C[C@H]([NH3+])CC(F)F)CC(C)(C)[NH3+] ZINC000903933044 584825115 /nfs/dbraw/zinc/82/51/15/584825115.db2.gz KFDSJGLJJFYNAI-SSDOTTSWSA-N 2 0 209.284 0.638 20 0 BCADRP [NH3+][C@H](CN[C@@H]1CC[NH2+]C12CCC2)CC(F)F ZINC000903936344 584825860 /nfs/dbraw/zinc/82/58/60/584825860.db2.gz ZMEAZXFZFBBANS-DTWKUNHWSA-N 2 0 233.306 0.843 20 0 BCADRP C[C@H]([NH2+]C[C@H](N)CC(F)F)C1CC[NH2+]CC1 ZINC000903937505 584826292 /nfs/dbraw/zinc/82/62/92/584826292.db2.gz MGMDZZFOIWASAY-WCBMZHEXSA-N 2 0 235.322 0.947 20 0 BCADRP COCCn1cc(C[NH2+]CCC(C)(C)[NH3+])cn1 ZINC000903938455 584826658 /nfs/dbraw/zinc/82/66/58/584826658.db2.gz BMARVASNXXZORL-UHFFFAOYSA-N 2 0 240.351 0.747 20 0 BCADRP C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)[C@H](C)C[NH2+]1 ZINC000903916178 584827313 /nfs/dbraw/zinc/82/73/13/584827313.db2.gz FSXGNJGQUZEAJQ-IWSPIJDZSA-N 2 0 221.295 0.651 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN1CC[NH2+]C[C@H]1C(F)F ZINC000903916996 584827336 /nfs/dbraw/zinc/82/73/36/584827336.db2.gz JGSBYKRFTPUURN-BQBZGAKWSA-N 2 0 243.248 0.508 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000903958009 584827820 /nfs/dbraw/zinc/82/78/20/584827820.db2.gz VOGKYZAUFGPALR-DCAQKATOSA-N 2 0 247.333 0.819 20 0 BCADRP C[C@@]1(CNCc2cc(N)cc[nH+]2)CC[NH2+]C1 ZINC000903953856 584831416 /nfs/dbraw/zinc/83/14/16/584831416.db2.gz LYRNPPXKPMTHTC-GFCCVEGCSA-N 2 0 220.320 0.753 20 0 BCADRP C[C@@H]1C[N@H+](C[C@]23C[C@H]2C[NH2+]C3)C[C@H]1CC[NH3+] ZINC000903978094 584832906 /nfs/dbraw/zinc/83/29/06/584832906.db2.gz FJFWHCFTDVQIBU-FVCCEPFGSA-N 3 0 223.364 0.513 20 0 BCADRP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903978844 584832961 /nfs/dbraw/zinc/83/29/61/584832961.db2.gz YSPXDRVVNGFNFA-JHJVBQTASA-N 3 0 225.380 0.903 20 0 BCADRP C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)C[C@H]1CC[NH3+] ZINC000903978156 584832978 /nfs/dbraw/zinc/83/29/78/584832978.db2.gz HFZPQHVXNBNKQB-OPRDCNLKSA-N 2 0 235.322 0.886 20 0 BCADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]C[C@H]1C ZINC000903964714 584833966 /nfs/dbraw/zinc/83/39/66/584833966.db2.gz UIRGJRRLVYESOA-DDHJBXDOSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC000903963974 584833976 /nfs/dbraw/zinc/83/39/76/584833976.db2.gz BRVNNKXQKGWGID-WOPDTQHZSA-N 2 0 212.337 0.858 20 0 BCADRP [NH3+]CCCN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969398 584834959 /nfs/dbraw/zinc/83/49/59/584834959.db2.gz FHVXHVKEUUAMAR-LLVKDONJSA-N 2 0 227.352 0.084 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000903967364 584834963 /nfs/dbraw/zinc/83/49/63/584834963.db2.gz INPOSWMLSLNIMK-PWSUYJOCSA-N 3 0 211.353 0.431 20 0 BCADRP CC[C@H](COC)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968025 584835110 /nfs/dbraw/zinc/83/51/10/584835110.db2.gz PQWCREFICZNFCI-OUAUKWLOSA-N 2 0 200.326 0.857 20 0 BCADRP CC[N@H+](CCC(N)=O)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000903988175 584836185 /nfs/dbraw/zinc/83/61/85/584836185.db2.gz OPBQAPHAMOOMGU-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904299898 584860463 /nfs/dbraw/zinc/86/04/63/584860463.db2.gz QWYALPGGHDZLFD-NNYUYHANSA-N 2 0 211.353 0.783 20 0 BCADRP CN(C[C@@]1(C)CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000904299558 584860603 /nfs/dbraw/zinc/86/06/03/584860603.db2.gz HYOGJUIIQONJFK-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@]1(CN2CCC([NH3+])CC2)CCC[NH2+]C1 ZINC000904300057 584860722 /nfs/dbraw/zinc/86/07/22/584860722.db2.gz UXJJIMJAJIFLKK-LBPRGKRZSA-N 2 0 211.353 0.799 20 0 BCADRP CC(C)(C)CC[C@H]([NH3+])CN1CC[C@H](C(N)=O)C1 ZINC000904301291 584861152 /nfs/dbraw/zinc/86/11/52/584861152.db2.gz DCQQMVXWMIQKTC-QWRGUYRKSA-N 2 0 241.379 0.947 20 0 BCADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCC([NH3+])CC1 ZINC000904301478 584861262 /nfs/dbraw/zinc/86/12/62/584861262.db2.gz LKOQKYLXSCDPJD-CIWCUSHGSA-N 3 0 211.353 0.925 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@H+](CCO)C2CCCC2)C1 ZINC000904301627 584861546 /nfs/dbraw/zinc/86/15/46/584861546.db2.gz KPDVTGPSBNYCIS-PHIMTYICSA-N 2 0 212.337 0.961 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(C[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000904301702 584861621 /nfs/dbraw/zinc/86/16/21/584861621.db2.gz PGMVRECUQXFJBD-AVGNSLFASA-N 2 0 241.379 0.424 20 0 BCADRP CCNC(=O)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904305854 584862328 /nfs/dbraw/zinc/86/23/28/584862328.db2.gz VMMGRUKLRVLFAX-PHIMTYICSA-N 2 0 240.351 0.071 20 0 BCADRP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309205 584862574 /nfs/dbraw/zinc/86/25/74/584862574.db2.gz CSSFGVJXJMBWKS-ZNSHCXBVSA-N 2 0 225.336 0.310 20 0 BCADRP CN(C)C(=O)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904308381 584862957 /nfs/dbraw/zinc/86/29/57/584862957.db2.gz PAWCZTYKRBPWIE-PHIMTYICSA-N 2 0 240.351 0.023 20 0 BCADRP CCOC(=O)C[N@H+](CC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312908 584863503 /nfs/dbraw/zinc/86/35/03/584863503.db2.gz PMYVINLGUXQWJS-AOOOYVTPSA-N 2 0 214.309 0.609 20 0 BCADRP CNC(=O)CC[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904316794 584864073 /nfs/dbraw/zinc/86/40/73/584864073.db2.gz TVHGJRXLEGSGOA-GFCCVEGCSA-N 2 0 227.352 0.444 20 0 BCADRP CNC(=O)CCC[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904325243 584865161 /nfs/dbraw/zinc/86/51/61/584865161.db2.gz UFQXGCLVGMTSSM-CYBMUJFWSA-N 2 0 241.379 0.834 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)C1 ZINC000904328434 584865371 /nfs/dbraw/zinc/86/53/71/584865371.db2.gz OPDJIASKRCDTBN-RNJOBUHISA-N 2 0 240.347 0.604 20 0 BCADRP COCCOC[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325344 584865386 /nfs/dbraw/zinc/86/53/86/584865386.db2.gz XDBLYVLPHOOSIG-RWMBFGLXSA-N 2 0 242.363 0.709 20 0 BCADRP COC(=O)[C@]1(C)CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904326901 584865638 /nfs/dbraw/zinc/86/56/38/584865638.db2.gz SSWFZNGAFMSLAR-JFGNBEQYSA-N 2 0 226.320 0.609 20 0 BCADRP C[C@@]1(CN2CCO[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904332939 584865921 /nfs/dbraw/zinc/86/59/21/584865921.db2.gz UNEQCNQCWXCYPY-NWDGAFQWSA-N 2 0 227.352 0.036 20 0 BCADRP C[C@H](O)[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904330091 584866040 /nfs/dbraw/zinc/86/60/40/584866040.db2.gz ZIORQYJWJNHBFT-FIQHERPVSA-N 2 0 212.337 0.817 20 0 BCADRP C[C@@]1(C(N)=O)CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904342680 584866993 /nfs/dbraw/zinc/86/69/93/584866993.db2.gz NGDNTCAFRDOVRG-CHWSQXEVSA-N 2 0 239.363 0.573 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(Cn3cncn3)CC2)C1 ZINC000904342575 584867393 /nfs/dbraw/zinc/86/73/93/584867393.db2.gz KXWQNVYSYIMDGE-BETUJISGSA-N 2 0 249.362 0.727 20 0 BCADRP CC1(C)C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1O ZINC000904340864 584867463 /nfs/dbraw/zinc/86/74/63/584867463.db2.gz MIIOTZYGVQKLJV-OUAUKWLOSA-N 2 0 212.337 0.817 20 0 BCADRP CC[C@H](C)[N@@H+](CC(=O)OC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904346611 584868360 /nfs/dbraw/zinc/86/83/60/584868360.db2.gz WHPNQLBLVCUJTG-GARJFASQSA-N 2 0 228.336 0.997 20 0 BCADRP COCCO[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904346357 584868588 /nfs/dbraw/zinc/86/85/88/584868588.db2.gz RKSWUQYXRDPGHM-GRYCIOLGSA-N 2 0 228.336 0.461 20 0 BCADRP CC(C)[C@H]([NH3+])CNC[C@@]1(C)CCC[NH2+]C1 ZINC000904350467 584868718 /nfs/dbraw/zinc/86/87/18/584868718.db2.gz MBGBQUATHCZMEV-NEPJUHHUSA-N 2 0 213.369 0.949 20 0 BCADRP C[C@@H]1CN(C[C@]2(C)CCC[NH2+]C2)C[C@H]1[NH3+] ZINC000904350611 584868836 /nfs/dbraw/zinc/86/88/36/584868836.db2.gz NYPPBZORGAKDQT-IJLUTSLNSA-N 2 0 211.353 0.655 20 0 BCADRP Cn1ccnc1[C@@H]1C[NH2+]CCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350976 584869372 /nfs/dbraw/zinc/86/93/72/584869372.db2.gz SRAAIOJDRNJMSJ-TUAOUCFPSA-N 2 0 249.362 0.104 20 0 BCADRP Cn1ccnc1[C@H]1C[NH2+]CCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350975 584869531 /nfs/dbraw/zinc/86/95/31/584869531.db2.gz SRAAIOJDRNJMSJ-GRYCIOLGSA-N 2 0 249.362 0.104 20 0 BCADRP Nc1ccc(CNC[C@@H]2CCC[NH2+]C2)nn1 ZINC000904353244 584869919 /nfs/dbraw/zinc/86/99/19/584869919.db2.gz JTERCMLTJUUEGB-SECBINFHSA-N 2 0 221.308 0.148 20 0 BCADRP C[C@H]([NH2+]C1CC(C[NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000904353182 584869989 /nfs/dbraw/zinc/86/99/89/584869989.db2.gz HVDVRYINFLCNSV-VOBJUBJWSA-N 2 0 211.353 0.701 20 0 BCADRP C[C@]1(CNC[C@@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000904353769 584870146 /nfs/dbraw/zinc/87/01/46/584870146.db2.gz QVYIEPBSVXGZDD-RYUDHWBXSA-N 2 0 211.353 0.718 20 0 BCADRP CC(C)C[C@H](CN)[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904354467 584870299 /nfs/dbraw/zinc/87/02/99/584870299.db2.gz ZEPIEWZPRLFGNG-CYBMUJFWSA-N 2 0 242.411 0.373 20 0 BCADRP CC(C)(C)CC[C@@H]([NH3+])CN(CC[NH3+])CCO ZINC000904354561 584870357 /nfs/dbraw/zinc/87/03/57/584870357.db2.gz CNAYCXBBEFPSDT-LLVKDONJSA-N 2 0 231.384 0.393 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+]CCC[C@H]2CCC[NH2+]2)C1 ZINC000904354324 584870391 /nfs/dbraw/zinc/87/03/91/584870391.db2.gz FRNJUBHOIJFCJU-TUAOUCFPSA-N 3 0 211.353 0.846 20 0 BCADRP CC1(C[NH2+]Cc2ccc(N)nn2)CC[NH2+]CC1 ZINC000904355000 584870687 /nfs/dbraw/zinc/87/06/87/584870687.db2.gz JKVXGMFSSHRERX-UHFFFAOYSA-N 2 0 235.335 0.538 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904354802 584870724 /nfs/dbraw/zinc/87/07/24/584870724.db2.gz GTPVGFOHWCXAKX-AXFHLTTASA-N 3 0 211.353 0.701 20 0 BCADRP Nc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)nn1 ZINC000904355052 584870726 /nfs/dbraw/zinc/87/07/26/584870726.db2.gz MGDSYQWCBKUSCY-SNVBAGLBSA-N 2 0 233.319 0.291 20 0 BCADRP [NH3+]CC1CC([NH2+]C[C@@H]2C[C@H](F)CN2)C1 ZINC000904355226 584870748 /nfs/dbraw/zinc/87/07/48/584870748.db2.gz OLIHPNMPJWZLOM-LRHRNSLUSA-N 2 0 201.289 0.013 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000904355245 584870779 /nfs/dbraw/zinc/87/07/79/584870779.db2.gz OSHSKZJTOJEVSJ-AXFHLTTASA-N 3 0 209.337 0.455 20 0 BCADRP C[C@]1(CN[C@H]2C[NH2+]CCC2(F)F)CCC[NH2+]C1 ZINC000904354650 584870986 /nfs/dbraw/zinc/87/09/86/584870986.db2.gz IGQIIXXETFWIKS-QWRGUYRKSA-N 2 0 247.333 0.963 20 0 BCADRP Nc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)nn1 ZINC000904355535 584871463 /nfs/dbraw/zinc/87/14/63/584871463.db2.gz TYRLHKKFTZEYKY-JTQLQIEISA-N 2 0 235.335 0.681 20 0 BCADRP CC(C)(C)S(=O)(=O)CC[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904359286 584871777 /nfs/dbraw/zinc/87/17/77/584871777.db2.gz INGFYFQUTNGPMP-AOOOYVTPSA-N 2 0 248.392 0.527 20 0 BCADRP C[C@@]1(CNC[C@H]2C[NH2+]CCCO2)CCC[NH2+]C1 ZINC000904357715 584871984 /nfs/dbraw/zinc/87/19/84/584871984.db2.gz ANMRJVWTGUFTHO-CHWSQXEVSA-N 2 0 241.379 0.344 20 0 BCADRP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904361076 584872040 /nfs/dbraw/zinc/87/20/40/584872040.db2.gz UUCIBHVAMILYIL-PHIMTYICSA-N 2 0 222.336 0.864 20 0 BCADRP C[C@H]([C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1)N1CCOCC1 ZINC000904362238 584872085 /nfs/dbraw/zinc/87/20/85/584872085.db2.gz JXGAGUPVXKWIQS-QNWHQSFQSA-N 2 0 241.379 0.423 20 0 BCADRP [NH3+]Cc1ccc(CNC[C@H]2C[NH2+]CCCO2)cc1 ZINC000904358013 584872291 /nfs/dbraw/zinc/87/22/91/584872291.db2.gz GECRXBFHGLZRDI-CQSZACIVSA-N 2 0 249.358 0.613 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@@]1(C)CCC[NH2+]C1 ZINC000904358495 584872301 /nfs/dbraw/zinc/87/23/01/584872301.db2.gz NGZYPWBKIMIZQP-SRVKXCTJSA-N 2 0 211.353 0.798 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000904368378 584872493 /nfs/dbraw/zinc/87/24/93/584872493.db2.gz QQWMXOAFSUHAMK-AEJSXWLSSA-N 2 0 223.320 0.077 20 0 BCADRP [NH3+]CC1CC([NH2+][C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000904367586 584872537 /nfs/dbraw/zinc/87/25/37/584872537.db2.gz FQVKNEYESJFRJV-RTBKNWGFSA-N 2 0 223.320 0.077 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)C1 ZINC000904370584 584873149 /nfs/dbraw/zinc/87/31/49/584873149.db2.gz BKLURZSUSKSFTK-WHOHXGKFSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@]1(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)CCC[NH2+]C1 ZINC000904373510 584873792 /nfs/dbraw/zinc/87/37/92/584873792.db2.gz RTACYMCAEBPMIB-XQQFMLRXSA-N 2 0 242.363 0.051 20 0 BCADRP C[C@@]1(C[NH+]2CCC(O)(C[NH3+])CC2)CCC[NH2+]C1 ZINC000904373275 584873855 /nfs/dbraw/zinc/87/38/55/584873855.db2.gz NSNMRYLUGLSWCR-GFCCVEGCSA-N 3 0 241.379 0.162 20 0 BCADRP CC(C)[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCC(=O)N1 ZINC000904373241 584874017 /nfs/dbraw/zinc/87/40/17/584874017.db2.gz NEBHLHKAXFDFEK-GRYCIOLGSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+]Cc1ccc(C[NH2+]C2CC(C[NH3+])C2)cc1 ZINC000904373454 584874060 /nfs/dbraw/zinc/87/40/60/584874060.db2.gz FDXOJXRWJZVUFL-UHFFFAOYSA-N 3 0 219.332 0.972 20 0 BCADRP CCOC(=O)[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000904388788 584874881 /nfs/dbraw/zinc/87/48/81/584874881.db2.gz BALJVDLUEYSHLS-WCQYABFASA-N 2 0 240.347 0.871 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1CC[NH3+] ZINC000904388846 584875063 /nfs/dbraw/zinc/87/50/63/584875063.db2.gz PEEXZYLIECJZRW-KKOKHZNYSA-N 3 0 211.353 0.640 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000904389218 584875765 /nfs/dbraw/zinc/87/57/65/584875765.db2.gz UKFRTVCFXFHMJD-UTUOFQBUSA-N 2 0 211.353 0.574 20 0 BCADRP C[C@]1(CN[C@@H](C[NH3+])C(F)(F)F)CCC[NH2+]C1 ZINC000904377453 584875897 /nfs/dbraw/zinc/87/58/97/584875897.db2.gz PWOXASOAWAGGCP-IUCAKERBSA-N 2 0 239.285 0.855 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(Cn3cnnc3)CC2)C1 ZINC000904376706 584876101 /nfs/dbraw/zinc/87/61/01/584876101.db2.gz XSRPSWPKYNCILD-BETUJISGSA-N 2 0 249.362 0.727 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)C1 ZINC000904377303 584876146 /nfs/dbraw/zinc/87/61/46/584876146.db2.gz MRSUVDRYQQVMAW-UTUOFQBUSA-N 2 0 235.335 0.337 20 0 BCADRP [NH3+]C[C@H](NC[C@H]1C[C@@H]([NH3+])C1)C(F)(F)F ZINC000904377487 584876249 /nfs/dbraw/zinc/87/62/49/584876249.db2.gz QRAUVSDBFHMABG-XVMARJQXSA-N 2 0 211.231 0.203 20 0 BCADRP Nc1ccc(C[NH2+]CCC2(C[NH3+])CC2)nn1 ZINC000904376921 584876251 /nfs/dbraw/zinc/87/62/51/584876251.db2.gz YXGXRSDVIAALRE-UHFFFAOYSA-N 2 0 221.308 0.277 20 0 BCADRP COC[C@]1(C)C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904380803 584876552 /nfs/dbraw/zinc/87/65/52/584876552.db2.gz GZUOPGLGIODJCV-TUAOUCFPSA-N 2 0 228.336 0.461 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000904381264 584876655 /nfs/dbraw/zinc/87/66/55/584876655.db2.gz MBYPEHMTUXBFKD-GXFFZTMASA-N 2 0 219.332 0.985 20 0 BCADRP C[C@@H]([NH2+]C1CC(C[NH3+])C1)c1ccnn1C ZINC000904384029 584877355 /nfs/dbraw/zinc/87/73/55/584877355.db2.gz GNVPSMCBSQVPDR-XNWIYYODSA-N 2 0 208.309 0.808 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)C1 ZINC000904384735 584877387 /nfs/dbraw/zinc/87/73/87/584877387.db2.gz MTHCMDRYPJTCLO-NTZHIAQWSA-N 2 0 222.332 0.737 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@@]1(C)CCC[NH2+]C1 ZINC000904381708 584877545 /nfs/dbraw/zinc/87/75/45/584877545.db2.gz SBRKRJKIIRUYLS-LBPRGKRZSA-N 3 0 229.368 0.283 20 0 BCADRP COC(=O)N[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904386321 584877705 /nfs/dbraw/zinc/87/77/05/584877705.db2.gz WKBAQBVTWDQLSH-AEJSXWLSSA-N 2 0 227.308 0.154 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@](N)(CO)C2)CC[NH2+]1 ZINC000904407322 584878873 /nfs/dbraw/zinc/87/88/73/584878873.db2.gz TXKNVNLLHJNSMO-FRRDWIJNSA-N 2 0 241.379 0.160 20 0 BCADRP C[C@H]1CN(CC23CC(C2)C[NH2+]3)CC[C@@H]1C[NH3+] ZINC000904409572 584878893 /nfs/dbraw/zinc/87/88/93/584878893.db2.gz CMURCODZICLASV-GMKTYKIGSA-N 2 0 223.364 0.655 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@](N)(CO)C2)CC[NH2+]1 ZINC000904407321 584879094 /nfs/dbraw/zinc/87/90/94/584879094.db2.gz TXKNVNLLHJNSMO-AGIUHOORSA-N 2 0 241.379 0.160 20 0 BCADRP [NH3+]Cc1ccc(CN2CCC[C@@]([NH3+])(CO)C2)cc1 ZINC000904407269 584879136 /nfs/dbraw/zinc/87/91/36/584879136.db2.gz RVHDDJKNOOFQAA-AWEZNQCLSA-N 2 0 249.358 0.431 20 0 BCADRP Nc1cnc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC000904407352 584879202 /nfs/dbraw/zinc/87/92/02/584879202.db2.gz UJGLELFAFPSEDU-SECBINFHSA-N 2 0 221.308 0.230 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ccc(N)nn2)CC[C@H]1C[NH3+] ZINC000904409589 584879295 /nfs/dbraw/zinc/87/92/95/584879295.db2.gz CWTRJHVOHLVTIE-ZJUUUORDSA-N 2 0 235.335 0.476 20 0 BCADRP C[C@@H]1CN(CC23CC(C2)C[NH2+]3)CC[C@H]1C[NH3+] ZINC000904409573 584879307 /nfs/dbraw/zinc/87/93/07/584879307.db2.gz CMURCODZICLASV-IGJPJIBNSA-N 2 0 223.364 0.655 20 0 BCADRP C[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1C[NH3+] ZINC000904409690 584879325 /nfs/dbraw/zinc/87/93/25/584879325.db2.gz GHLKKASKIGBGAJ-NNYUYHANSA-N 3 0 211.353 0.640 20 0 BCADRP Oc1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000904398503 584880346 /nfs/dbraw/zinc/88/03/46/584880346.db2.gz QUYMCRCTMLIVRI-UHFFFAOYSA-N 2 0 235.331 0.387 20 0 BCADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CNOC2)cc1 ZINC000904424353 584880957 /nfs/dbraw/zinc/88/09/57/584880957.db2.gz QTZNEDMCERYJFC-NSHDSACASA-N 2 0 207.277 0.138 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000904420365 584882307 /nfs/dbraw/zinc/88/23/07/584882307.db2.gz LYQHZUHRLZTKJT-NNYUYHANSA-N 3 0 209.337 0.265 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)C1 ZINC000876500587 584885574 /nfs/dbraw/zinc/88/55/74/584885574.db2.gz IPJRSHXIKHUYLP-IEVRTODYSA-N 2 0 237.347 0.492 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)C1 ZINC000876500586 584885674 /nfs/dbraw/zinc/88/56/74/584885674.db2.gz IPJRSHXIKHUYLP-GKKDLHFNSA-N 2 0 237.347 0.492 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876532025 584885888 /nfs/dbraw/zinc/88/58/88/584885888.db2.gz AQZBWXNOJMVGKQ-VWYCJHECSA-N 2 0 241.379 0.849 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876534275 584885894 /nfs/dbraw/zinc/88/58/94/584885894.db2.gz AVCBCDWSBXNDLJ-AEJSXWLSSA-N 2 0 227.352 0.459 20 0 BCADRP CC1(C)[C@H](C(=O)N2CC[NH2+]CC2(C)C)C[C@@H]1[NH3+] ZINC000876537932 584885952 /nfs/dbraw/zinc/88/59/52/584885952.db2.gz HVYLFSVZBZBMKF-UWVGGRQHSA-N 2 0 239.363 0.570 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876539246 584886311 /nfs/dbraw/zinc/88/63/11/584886311.db2.gz ACSFBWSUEJVDDZ-NXEZZACHSA-N 2 0 241.379 0.994 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876707146 584887011 /nfs/dbraw/zinc/88/70/11/584887011.db2.gz UQTDWTOSQGISNJ-QWRGUYRKSA-N 2 0 245.342 0.392 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000876829760 584887130 /nfs/dbraw/zinc/88/71/30/584887130.db2.gz XYYNJVUGQVIPNK-UKKRHICBSA-N 2 0 239.363 0.746 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H]1C ZINC000876831774 584887440 /nfs/dbraw/zinc/88/74/40/584887440.db2.gz KATLHFNFMJPNSF-BJDJZHNGSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H]1C ZINC000876831778 584887506 /nfs/dbraw/zinc/88/75/06/584887506.db2.gz KATLHFNFMJPNSF-KXNHARMFSA-N 2 0 239.363 0.713 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000876964050 584888286 /nfs/dbraw/zinc/88/82/86/584888286.db2.gz QKDDTCXOTAFOQZ-NXEZZACHSA-N 2 0 239.363 0.748 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N(C)C[C@H](C)[NH3+] ZINC000877106043 584890190 /nfs/dbraw/zinc/89/01/90/584890190.db2.gz OSGUMBKDFMXROQ-VHSXEESVSA-N 2 0 215.341 0.556 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC000877107213 584890345 /nfs/dbraw/zinc/89/03/45/584890345.db2.gz ZYYWPLTVQHQPLR-NSHDSACASA-N 2 0 227.352 0.524 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000877108787 584890369 /nfs/dbraw/zinc/89/03/69/584890369.db2.gz WUFRTWNPQAORQJ-TUISVCKWSA-N 2 0 225.336 0.348 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000884009051 584897313 /nfs/dbraw/zinc/89/73/13/584897313.db2.gz KCDRWJHZAGTKLG-QWRGUYRKSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000834685969 584914538 /nfs/dbraw/zinc/91/45/38/584914538.db2.gz AAZVCDRFAOZIIA-SECBINFHSA-N 2 0 225.336 0.324 20 0 BCADRP COCC[C@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000884034738 584939488 /nfs/dbraw/zinc/93/94/88/584939488.db2.gz KSSMFPDOOFJNRY-CMPLNLGQSA-N 2 0 245.367 0.230 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000884034413 584939620 /nfs/dbraw/zinc/93/96/20/584939620.db2.gz DNDVDZWCYLNGQJ-ZJUUUORDSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884292365 584948670 /nfs/dbraw/zinc/94/86/70/584948670.db2.gz XHTPFZJRKFIVAH-QWRGUYRKSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@@H](CO)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000788327771 585133717 /nfs/dbraw/zinc/13/37/17/585133717.db2.gz RSPDLZLMBZSYHT-LBPRGKRZSA-N 2 0 235.331 0.975 20 0 BCADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCOC2)CC1 ZINC000756115049 585314643 /nfs/dbraw/zinc/31/46/43/585314643.db2.gz CGPXXQSOUCLQOH-ZDUSSCGKSA-N 2 0 241.379 0.393 20 0 BCADRP C[C@H]1CN(CC[NH+]2CCCC2)CC[N@@H+]1C ZINC000761076675 585406311 /nfs/dbraw/zinc/40/63/11/585406311.db2.gz JCISZNCXYYWBML-LBPRGKRZSA-N 2 0 211.353 0.718 20 0 BCADRP C[NH+](C)C1(C(=O)NC2CC[NH+](C)CC2)CCC1 ZINC000762963919 585440081 /nfs/dbraw/zinc/44/00/81/585440081.db2.gz GQXKZXXYANUNTH-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH+](CC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC000762974080 585440681 /nfs/dbraw/zinc/44/06/81/585440681.db2.gz UWKQASDSNSNWNT-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP C[NH+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC000763003039 585441126 /nfs/dbraw/zinc/44/11/26/585441126.db2.gz VUVPIRYPIIQRFO-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC000763042915 585442298 /nfs/dbraw/zinc/44/22/98/585442298.db2.gz DQUHSBCHZSRHSV-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP OCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000771803378 585600297 /nfs/dbraw/zinc/60/02/97/585600297.db2.gz ZRFUQVUGZZMZRD-OLZOCXBDSA-N 2 0 242.363 0.194 20 0 BCADRP OC[C@H]([NH2+]CCC[NH2+][C@@H](CO)C1CC1)C1CC1 ZINC000771809119 585600657 /nfs/dbraw/zinc/60/06/57/585600657.db2.gz QTLUTYRDSVQAEM-STQMWFEESA-N 2 0 242.363 0.098 20 0 BCADRP Cc1cc(N[C@H]2CCn3ccnc3C2)nc(N)[nH+]1 ZINC000777801883 585720290 /nfs/dbraw/zinc/72/02/90/585720290.db2.gz KQYSFOMVLXQHFV-VIFPVBQESA-N 2 0 244.302 0.991 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[NH+]1CCC[C@@H]1C ZINC000783917358 585845692 /nfs/dbraw/zinc/84/56/92/585845692.db2.gz WAYOKZPQHXDZGM-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CCC[C@H]1C ZINC000783916922 585845859 /nfs/dbraw/zinc/84/58/59/585845859.db2.gz SRBFXNOUTUJYMK-GFCCVEGCSA-N 2 0 241.379 0.927 20 0 BCADRP CCC[N@@H+](CC(=O)NC)CC1CC[NH+](C)CC1 ZINC000788478343 585925110 /nfs/dbraw/zinc/92/51/10/585925110.db2.gz HLFABYRKOBEGTQ-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CCN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000788471010 585925155 /nfs/dbraw/zinc/92/51/55/585925155.db2.gz QORVBMBUOQPKNQ-UHFFFAOYSA-N 2 0 225.380 0.966 20 0 BCADRP C[N@@H+]1C[C@@H]2CCN(CC[NH+]3CCCC3)[C@@H]2C1 ZINC000794953053 586057476 /nfs/dbraw/zinc/05/74/76/586057476.db2.gz HSKRMKASHJPYOJ-QWHCGFSZSA-N 2 0 223.364 0.718 20 0 BCADRP CON(C)C(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000799122893 586159637 /nfs/dbraw/zinc/15/96/37/586159637.db2.gz HMLXSASDDTVHSM-NSHDSACASA-N 2 0 243.351 0.280 20 0 BCADRP CC[NH+](CC)CC[C@@H](CO)[NH2+]C[C@H](O)C1CC1 ZINC000843105743 586384415 /nfs/dbraw/zinc/38/44/15/586384415.db2.gz UYXDCPLYRXHGBA-STQMWFEESA-N 2 0 244.379 0.440 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCN(C)C1 ZINC000817890315 586831881 /nfs/dbraw/zinc/83/18/81/586831881.db2.gz RTRNBQWFCPFDKG-IJLUTSLNSA-N 2 0 211.353 0.668 20 0 BCADRP COC(=O)N1CCC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000817903165 586835835 /nfs/dbraw/zinc/83/58/35/586835835.db2.gz JAQBJOKPDBHZAN-DCAQKATOSA-N 2 0 243.351 0.933 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CCN1CCC[C@H]1C ZINC000817912132 586837901 /nfs/dbraw/zinc/83/79/01/586837901.db2.gz FOFUEIBBKCKXMT-OLZOCXBDSA-N 2 0 243.395 0.814 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]CCN1CCC[C@@H]1C ZINC000817912136 586838054 /nfs/dbraw/zinc/83/80/54/586838054.db2.gz FOFUEIBBKCKXMT-STQMWFEESA-N 2 0 243.395 0.814 20 0 BCADRP C[C@@H](NCC[N@@H+]1CCC[C@H]1C)C1C[NH2+]C1 ZINC000817912823 586838087 /nfs/dbraw/zinc/83/80/87/586838087.db2.gz JMCYMUBCGCFESI-GHMZBOCLSA-N 2 0 211.353 0.668 20 0 BCADRP CN(C(=O)[C@@H]1C[C@@H]1[NH3+])C1CCC([NH3+])CC1 ZINC000818528840 586897882 /nfs/dbraw/zinc/89/78/82/586897882.db2.gz JQICWIXCMXBVCQ-BMNUFHGDSA-N 2 0 211.309 0.062 20 0 BCADRP CN(C(=O)CC1(C[NH3+])CC1)C1CCC([NH3+])CC1 ZINC000818529299 586898115 /nfs/dbraw/zinc/89/81/15/586898115.db2.gz UUPFCWVDTMOUEK-UHFFFAOYSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818535006 586898586 /nfs/dbraw/zinc/89/85/86/586898586.db2.gz BCDIMLBRTMFSBU-WDEREUQCSA-N 2 0 249.358 0.787 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)C1CC[NH+](C2CC2)CC1 ZINC000818561428 586901243 /nfs/dbraw/zinc/90/12/43/586901243.db2.gz QNBYXGACMDHNSD-LLVKDONJSA-N 2 0 237.347 0.339 20 0 BCADRP CC[NH2+]CC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000818561248 586901267 /nfs/dbraw/zinc/90/12/67/586901267.db2.gz WBQNRSJWOGELFT-UHFFFAOYSA-N 2 0 221.304 0.954 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cccc(C[NH3+])c2)C1 ZINC000818565129 586902032 /nfs/dbraw/zinc/90/20/32/586902032.db2.gz PIZHLBZDYJMJBC-ZWNOBZJWSA-N 2 0 247.342 0.955 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000818604846 586905803 /nfs/dbraw/zinc/90/58/03/586905803.db2.gz MEPFRLZTYRWOCQ-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP O=C(C[NH+]1CCCC1)NCC[N@H+]1CC=CCC1 ZINC000822587859 587176395 /nfs/dbraw/zinc/17/63/95/587176395.db2.gz YXAWZRILMFFZAW-UHFFFAOYSA-N 2 0 237.347 0.460 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)C[NH+]1CCCC1 ZINC000822927323 587194012 /nfs/dbraw/zinc/19/40/12/587194012.db2.gz IRBIYUJUPCSMEL-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)C[NH+]1CCCC1 ZINC000823160766 587206174 /nfs/dbraw/zinc/20/61/74/587206174.db2.gz JLLYKACJLBPUKN-NWDGAFQWSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)(NC(=O)C[NH+]1CCCC1)c1ncc[nH]1 ZINC000823381666 587219020 /nfs/dbraw/zinc/21/90/20/587219020.db2.gz YYZMPFUSZVWVBT-UHFFFAOYSA-N 2 0 236.319 0.857 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000824295540 587264859 /nfs/dbraw/zinc/26/48/59/587264859.db2.gz HRUNYJXMBBWPPI-TXEJJXNPSA-N 2 0 239.363 0.539 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000824681657 587282322 /nfs/dbraw/zinc/28/23/22/587282322.db2.gz OQXFROHPPVHCEY-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000829475530 587499661 /nfs/dbraw/zinc/49/96/61/587499661.db2.gz YJBRODKMHYPJTH-LBPRGKRZSA-N 2 0 245.342 0.536 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NCCCCCC[NH3+] ZINC000831178328 587589796 /nfs/dbraw/zinc/58/97/96/587589796.db2.gz NMKTXEDLQKZSGF-LLVKDONJSA-N 2 0 244.383 0.788 20 0 BCADRP [NH3+]C/C=C/CNC(=O)NCCCCCC[NH3+] ZINC000831191506 587591078 /nfs/dbraw/zinc/59/10/78/587591078.db2.gz NVHDWWSPUDNYEI-GQCTYLIASA-N 2 0 228.340 0.320 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCCCCCC[NH3+] ZINC000831196833 587591252 /nfs/dbraw/zinc/59/12/52/587591252.db2.gz GAUHQDPAKRPBIA-JTQLQIEISA-N 2 0 230.356 0.542 20 0 BCADRP [NH3+]CCCCCC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000831700983 587628039 /nfs/dbraw/zinc/62/80/39/587628039.db2.gz SUCDKGHCOQKMNU-NEPJUHHUSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000831971046 587640403 /nfs/dbraw/zinc/64/04/03/587640403.db2.gz QFLUEHJTSUPHJX-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831970843 587640710 /nfs/dbraw/zinc/64/07/10/587640710.db2.gz NBMRSLMHUYIKQN-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C(C)(C)C[NH3+] ZINC000831970686 587640867 /nfs/dbraw/zinc/64/08/67/587640867.db2.gz KKISVQBPBABZIM-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000832554701 587665893 /nfs/dbraw/zinc/66/58/93/587665893.db2.gz QALYCEOOGBQCAG-MNOVXSKESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C2CC2)CC[C@H]1[NH3+] ZINC000832737462 587681270 /nfs/dbraw/zinc/68/12/70/587681270.db2.gz VSAQIUNRSLSDJB-FBIMIBRVSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000832750137 587683841 /nfs/dbraw/zinc/68/38/41/587683841.db2.gz KPJRSHQQOSGWOO-DLOVCJGASA-N 2 0 239.363 0.700 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000832750140 587684043 /nfs/dbraw/zinc/68/40/43/587684043.db2.gz KPJRSHQQOSGWOO-ZMLRMANQSA-N 2 0 239.363 0.700 20 0 BCADRP [NH3+]CCCC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000834447816 587755422 /nfs/dbraw/zinc/75/54/22/587755422.db2.gz AJBFVKOOYPCWCA-UHFFFAOYSA-N 2 0 225.336 0.327 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCCCC[NH3+] ZINC000834545870 587758887 /nfs/dbraw/zinc/75/88/87/587758887.db2.gz CBKFBJUIKGIFER-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP [NH3+]CCCCCC(=O)NCC1=CC[NH2+]CC1 ZINC000834543719 587759177 /nfs/dbraw/zinc/75/91/77/587759177.db2.gz UVXREGVCOJLLKY-UHFFFAOYSA-N 2 0 225.336 0.541 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000834598258 587760031 /nfs/dbraw/zinc/76/00/31/587760031.db2.gz ANPNPWWUQXYJLW-WDEREUQCSA-N 2 0 227.352 0.892 20 0 BCADRP [NH3+][C@@H](CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000834599901 587760279 /nfs/dbraw/zinc/76/02/79/587760279.db2.gz SAVDPAWPFGBZBD-VWYCJHECSA-N 2 0 225.336 0.500 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000834598254 587760358 /nfs/dbraw/zinc/76/03/58/587760358.db2.gz ANPNPWWUQXYJLW-GHMZBOCLSA-N 2 0 227.352 0.892 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)c1ccc2c[nH+]cn2c1 ZINC000834618742 587761027 /nfs/dbraw/zinc/76/10/27/587761027.db2.gz GHZWOIZTZGPTFU-QMMMGPOBSA-N 2 0 218.260 0.411 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000834623084 587761509 /nfs/dbraw/zinc/76/15/09/587761509.db2.gz SDSSOTIBTMUJGR-CABZTGNLSA-N 2 0 233.315 0.337 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000834786172 587766913 /nfs/dbraw/zinc/76/69/13/587766913.db2.gz LOCBDDDBPQBYEB-KOLCDFICSA-N 2 0 231.315 0.322 20 0 BCADRP C[C@@H](NC(=O)CCCCCC[NH3+])[C@H](C)[NH3+] ZINC000834821220 587767595 /nfs/dbraw/zinc/76/75/95/587767595.db2.gz LZFIHNZUBJFUJE-VHSXEESVSA-N 2 0 215.341 0.748 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000834845861 587768486 /nfs/dbraw/zinc/76/84/86/587768486.db2.gz HYNLZOTXFLIMNM-VIFPVBQESA-N 2 0 249.305 0.619 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000834858392 587768732 /nfs/dbraw/zinc/76/87/32/587768732.db2.gz QWUOVPOSYQIZPZ-WDEREUQCSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000841723865 587972968 /nfs/dbraw/zinc/97/29/68/587972968.db2.gz BADUPLHCDHFVLC-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000841848219 587977183 /nfs/dbraw/zinc/97/71/83/587977183.db2.gz CIDCOPMWXSGLRX-WDEREUQCSA-N 2 0 227.352 0.748 20 0 BCADRP CCCN(C(=O)C[C@@H]([NH3+])C1CC1)[C@@H]1CC[NH2+]C1 ZINC000841847699 587977228 /nfs/dbraw/zinc/97/72/28/587977228.db2.gz HOPCNKWWJWJQEY-VXGBXAGGSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000841847655 587977397 /nfs/dbraw/zinc/97/73/97/587977397.db2.gz FSHNVNMQMDOUAB-LLVKDONJSA-N 2 0 221.304 0.412 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@H]([NH3+])C1CC1 ZINC000841848304 587977463 /nfs/dbraw/zinc/97/74/63/587977463.db2.gz BYUNFTMATYUNST-MNOVXSKESA-N 2 0 227.352 0.603 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000841848216 587977527 /nfs/dbraw/zinc/97/75/27/587977527.db2.gz CIDCOPMWXSGLRX-GHMZBOCLSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@@H]1CN(C(=O)c2cccc(C[NH3+])c2)[C@H](C)C[NH2+]1 ZINC000841849488 587977605 /nfs/dbraw/zinc/97/76/05/587977605.db2.gz XRKUYZDERRQJEM-GHMZBOCLSA-N 2 0 247.342 0.968 20 0 BCADRP C[C@@]1(CNC(=O)C[C@@H]([NH3+])C2CC2)CCC[NH2+]C1 ZINC000841849564 587977956 /nfs/dbraw/zinc/97/79/56/587977956.db2.gz AXTGIDYWXBKQLN-DGCLKSJQSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000841850318 587977967 /nfs/dbraw/zinc/97/79/67/587977967.db2.gz KUJSYIGFPAEQIV-IQJOONFLSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@]1(CNC(=O)[C@]2(F)CC[NH2+]C2)CCC[NH2+]C1 ZINC000841849979 587978023 /nfs/dbraw/zinc/97/80/23/587978023.db2.gz RYIJUJSCEGDCHE-RYUDHWBXSA-N 2 0 243.326 0.194 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000841851213 587978249 /nfs/dbraw/zinc/97/82/49/587978249.db2.gz GWVMFFFHQUNLRB-FXPVBKGRSA-N 2 0 229.299 0.074 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)c2cccc(C[NH3+])c2)[C@@H]1C ZINC000841850420 587978398 /nfs/dbraw/zinc/97/83/98/587978398.db2.gz SQNCBINXAGDNGB-GHMZBOCLSA-N 2 0 247.342 0.968 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000841852171 587978614 /nfs/dbraw/zinc/97/86/14/587978614.db2.gz GSHJFOUKRRPGOU-BDAKNGLRSA-N 2 0 249.305 0.473 20 0 BCADRP C[C@H]1C(=O)NCCN1CCCCCCC[NH3+] ZINC000842472165 588029013 /nfs/dbraw/zinc/02/90/13/588029013.db2.gz TXWGVRXAONMOIF-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP CN(C(=O)C[C@@H]([NH3+])C1CC1)[C@H](C[NH3+])C1CC1 ZINC000842510422 588031590 /nfs/dbraw/zinc/03/15/90/588031590.db2.gz PRTNMFQCSKCRIS-GHMZBOCLSA-N 2 0 225.336 0.310 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842511316 588032431 /nfs/dbraw/zinc/03/24/31/588032431.db2.gz BYTXCKKLNZZBKE-ZDUSSCGKSA-N 2 0 237.347 0.341 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000843125858 588084535 /nfs/dbraw/zinc/08/45/35/588084535.db2.gz JRILDDPKUQVXDB-AEJSXWLSSA-N 2 0 233.306 0.571 20 0 BCADRP C[NH2+]CCC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843326066 588100363 /nfs/dbraw/zinc/10/03/63/588100363.db2.gz ALQOEBXFFKPUJV-UHFFFAOYSA-N 2 0 235.331 0.414 20 0 BCADRP O=C([C@@H]1CCC[N@@H+](CCF)C1)N1CC[NH2+]CC1 ZINC000843346904 588101633 /nfs/dbraw/zinc/10/16/33/588101633.db2.gz POSYGADDTDYXDM-LLVKDONJSA-N 2 0 243.326 0.100 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)C1CCC([NH3+])CC1 ZINC000843355665 588103161 /nfs/dbraw/zinc/10/31/61/588103161.db2.gz SCVQADOBHUTOBI-UHFFFAOYSA-N 3 0 240.395 0.093 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)CCCCC[NH3+] ZINC000843355906 588103233 /nfs/dbraw/zinc/10/32/33/588103233.db2.gz LYQZSXQECYSKCS-UHFFFAOYSA-N 2 0 229.368 0.949 20 0 BCADRP O=C1OCC[C@@H]1[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364483 588104716 /nfs/dbraw/zinc/10/47/16/588104716.db2.gz DZWSBNJYBCDTOD-JTQLQIEISA-N 2 0 224.304 0.377 20 0 BCADRP CC1(NC(=O)C[C@H]([NH3+])C2CC2)CC[NH2+]CC1 ZINC000843470735 588113700 /nfs/dbraw/zinc/11/37/00/588113700.db2.gz BELFQOIFFDUOAN-JTQLQIEISA-N 2 0 225.336 0.372 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843476199 588113884 /nfs/dbraw/zinc/11/38/84/588113884.db2.gz CQABLQCRQHIDQL-GFCCVEGCSA-N 2 0 225.336 0.198 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000843479402 588114043 /nfs/dbraw/zinc/11/40/43/588114043.db2.gz SNMZQFVDVTUBFS-BLFANLJRSA-N 2 0 239.363 0.489 20 0 BCADRP [NH3+]CCCCCC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000843485307 588114410 /nfs/dbraw/zinc/11/44/10/588114410.db2.gz OYWQHGCIOUCDMG-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843484817 588114518 /nfs/dbraw/zinc/11/45/18/588114518.db2.gz LWSCTUYPRNLSSS-RYUDHWBXSA-N 2 0 239.363 0.444 20 0 BCADRP CC[NH2+]CC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000843491409 588115286 /nfs/dbraw/zinc/11/52/86/588115286.db2.gz JMXWHGJPEUQCIB-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCCCCCC[NH3+] ZINC000843506268 588117232 /nfs/dbraw/zinc/11/72/32/588117232.db2.gz RDFCHFXQHNZVDB-NSHDSACASA-N 2 0 229.368 0.995 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000843511690 588117542 /nfs/dbraw/zinc/11/75/42/588117542.db2.gz HMQRITMCRILKLF-WCQYABFASA-N 2 0 239.363 0.621 20 0 BCADRP [NH3+]CCCCCCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000843511416 588117555 /nfs/dbraw/zinc/11/75/55/588117555.db2.gz CLUGUEJJMQCHMN-LLVKDONJSA-N 2 0 243.351 0.000 20 0 BCADRP [NH3+]CCCCCCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000843511743 588117569 /nfs/dbraw/zinc/11/75/69/588117569.db2.gz JZORCCSTISQHFP-NSHDSACASA-N 2 0 227.352 0.749 20 0 BCADRP [NH3+]CCCCCCNC(=O)CCOC1C[NH2+]C1 ZINC000843512471 588117677 /nfs/dbraw/zinc/11/76/77/588117677.db2.gz MOPPTCFDOPCXRP-UHFFFAOYSA-N 2 0 243.351 0.000 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@H]([NH3+])CC(F)F ZINC000843512489 588117714 /nfs/dbraw/zinc/11/77/14/588117714.db2.gz NIXKPCCJLJVEOR-MRVPVSSYSA-N 2 0 237.294 0.604 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000844175161 588170934 /nfs/dbraw/zinc/17/09/34/588170934.db2.gz BSERAGHKKXYGRD-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+]CC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000844175162 588171173 /nfs/dbraw/zinc/17/11/73/588171173.db2.gz BSERAGHKKXYGRD-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+]CC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000844170966 588171449 /nfs/dbraw/zinc/17/14/49/588171449.db2.gz OLIWZJGCGSXKGE-NSHDSACASA-N 2 0 245.392 0.149 20 0 BCADRP CC[NH2+]CC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000844168368 588171583 /nfs/dbraw/zinc/17/15/83/588171583.db2.gz WTQVBBBJFWFJCS-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000844176477 588171908 /nfs/dbraw/zinc/17/19/08/588171908.db2.gz TTXVEWSWKZPPJY-SNVBAGLBSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[NH+](C)C ZINC000844196094 588173439 /nfs/dbraw/zinc/17/34/39/588173439.db2.gz BKZLHIMEFHPHAC-AAEUAGOBSA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+]CCC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000844221996 588174328 /nfs/dbraw/zinc/17/43/28/588174328.db2.gz QBIBCOLBFQNILG-UHFFFAOYSA-N 2 0 208.309 0.938 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N1CCC(CC[NH3+])CC1 ZINC000846174474 588259157 /nfs/dbraw/zinc/25/91/57/588259157.db2.gz ZMTOHVQQIWSFHG-VIFPVBQESA-N 2 0 228.340 0.104 20 0 BCADRP CN(C)C(=O)NCC[N@H+](C)CCCCCC[NH3+] ZINC000846220798 588261021 /nfs/dbraw/zinc/26/10/21/588261021.db2.gz QMJZCKRKMPJYOW-UHFFFAOYSA-N 2 0 244.383 0.709 20 0 BCADRP [NH3+]CC1(CCNC(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000846692088 588283110 /nfs/dbraw/zinc/28/31/10/588283110.db2.gz PACGWGFZYGGCRD-JTQLQIEISA-N 2 0 225.336 0.359 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCC1CC[NH2+]CC1 ZINC000846700385 588283373 /nfs/dbraw/zinc/28/33/73/588283373.db2.gz CFYJMFWVZBIYGW-SNVBAGLBSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000846741382 588284178 /nfs/dbraw/zinc/28/41/78/588284178.db2.gz AOYLFPGGIIDHEI-MIMYLULJSA-N 2 0 225.336 0.452 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000848438404 588384945 /nfs/dbraw/zinc/38/49/45/588384945.db2.gz SOEKZAFZKLRXAM-IYSWYEEDSA-N 2 0 239.241 0.133 20 0 BCADRP C[NH2+]CCN(C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848605335 588401716 /nfs/dbraw/zinc/40/17/16/588401716.db2.gz LYNJCWZFQLYVQK-PHIMTYICSA-N 2 0 242.367 0.187 20 0 BCADRP CC1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)OCCCO1 ZINC000848722136 588408256 /nfs/dbraw/zinc/40/82/56/588408256.db2.gz KDYRCZKJVQBTLD-GHMZBOCLSA-N 2 0 228.336 0.999 20 0 BCADRP Cn1cc([C@H](O)C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000848718714 588408578 /nfs/dbraw/zinc/40/85/78/588408578.db2.gz QCBMHDNGKGFCQO-GRYCIOLGSA-N 2 0 238.335 0.313 20 0 BCADRP CN(C)C(=[NH2+])NCC(C)(C)N1CC[NH+](C)CC1 ZINC000848984217 588423022 /nfs/dbraw/zinc/42/30/22/588423022.db2.gz ZKJIETUIMJYRMD-UHFFFAOYSA-N 2 0 241.383 0.098 20 0 BCADRP C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CC[N@H+](C)C2)CCO1 ZINC000848992785 588427702 /nfs/dbraw/zinc/42/77/02/588427702.db2.gz ULDDBMDUVDGBIO-MNOVXSKESA-N 2 0 240.351 0.183 20 0 BCADRP C[C@H](CNC(=[NH2+])N1CCC1)C[NH+]1CCCC1 ZINC000848994351 588428171 /nfs/dbraw/zinc/42/81/71/588428171.db2.gz FBTHRDXAISWZEA-LLVKDONJSA-N 2 0 224.352 0.948 20 0 BCADRP C[C@@H](CNC(=[NH2+])N1CCC1)C[NH+]1CCCC1 ZINC000848994352 588428211 /nfs/dbraw/zinc/42/82/11/588428211.db2.gz FBTHRDXAISWZEA-NSHDSACASA-N 2 0 224.352 0.948 20 0 BCADRP COC[C@@H](C)NC(=[NH2+])NCCC[NH2+]C(C)(C)C ZINC000848994019 588428232 /nfs/dbraw/zinc/42/82/32/588428232.db2.gz IARQQFQOLGZKPG-SNVBAGLBSA-N 2 0 244.383 0.913 20 0 BCADRP CC(C)CNC(=[NH2+])NCCNc1cc[nH+]cc1 ZINC000848995243 588428625 /nfs/dbraw/zinc/42/86/25/588428625.db2.gz LVYLAGSXPWZHRB-UHFFFAOYSA-N 2 0 235.335 0.685 20 0 BCADRP C[NH+](C)[C@H](CNC(=[NH2+])NC1CCC1)C1CC1 ZINC000848994920 588428708 /nfs/dbraw/zinc/42/87/08/588428708.db2.gz OGWPBBJMYPUUFI-LLVKDONJSA-N 2 0 224.352 0.993 20 0 BCADRP CC[N@H+](CCNC(=[NH2+])N1CCC1)C(C)C ZINC000849000892 588430857 /nfs/dbraw/zinc/43/08/57/588430857.db2.gz BRQGRETWJLYGIA-UHFFFAOYSA-N 2 0 212.341 0.947 20 0 BCADRP CCCC[N@H+](C)CCNC(=[NH2+])N(C)C ZINC000849005536 588432699 /nfs/dbraw/zinc/43/26/99/588432699.db2.gz IKMNLTUADOPAPF-UHFFFAOYSA-N 2 0 200.330 0.804 20 0 BCADRP CCCC[N@H+](C)CCNC1=[NH+]CCCN1C ZINC000849005586 588432803 /nfs/dbraw/zinc/43/28/03/588432803.db2.gz LVLWUFNWHOOQBA-UHFFFAOYSA-N 2 0 226.368 0.999 20 0 BCADRP CC(C)CCNC(=[NH2+])NCCN1CCC1 ZINC000849014620 588436317 /nfs/dbraw/zinc/43/63/17/588436317.db2.gz DWRXBHXGKVWXDK-UHFFFAOYSA-N 2 0 212.341 0.852 20 0 BCADRP CC[NH+](CC)CCOCCNC(=[NH2+])N1CCC1 ZINC000849018328 588437792 /nfs/dbraw/zinc/43/77/92/588437792.db2.gz JYMXIHXYRVZGKN-UHFFFAOYSA-N 2 0 242.367 0.575 20 0 BCADRP CNC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000849023200 588439625 /nfs/dbraw/zinc/43/96/25/588439625.db2.gz XQEKJTOYUJTWMD-JTQLQIEISA-N 2 0 210.325 0.747 20 0 BCADRP CN(CCCNC(=[NH2+])N1CCC1)CC[NH+](C)C ZINC000849028215 588441585 /nfs/dbraw/zinc/44/15/85/588441585.db2.gz KXAKBZUHAAPMTF-UHFFFAOYSA-N 2 0 241.383 0.100 20 0 BCADRP CN(C(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1)C1CC1 ZINC000849048514 588451138 /nfs/dbraw/zinc/45/11/38/588451138.db2.gz IHJPFVLWIYYYLC-JGZJWPJOSA-N 2 0 224.352 0.945 20 0 BCADRP COC[C@@H](C)NC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849048521 588451181 /nfs/dbraw/zinc/45/11/81/588451181.db2.gz IILJCXDHKMHUNG-MXWKQRLJSA-N 2 0 242.367 0.475 20 0 BCADRP C[NH+](C)CCn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000849137942 588454400 /nfs/dbraw/zinc/45/44/00/588454400.db2.gz UYKNFCDSFZSYMC-LLVKDONJSA-N 2 0 237.351 0.382 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC2=[NH+]CCCCN2)C1 ZINC000849217207 588462797 /nfs/dbraw/zinc/46/27/97/588462797.db2.gz BMPIOVIXZADHGQ-PHIMTYICSA-N 2 0 224.352 0.656 20 0 BCADRP CC1(C)OC[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000851732875 588619898 /nfs/dbraw/zinc/61/98/98/588619898.db2.gz ZHAJNHFCADTLPM-AXFHLTTASA-N 2 0 226.320 0.289 20 0 BCADRP CC1(C)OC[C@H](C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)O1 ZINC000851732876 588619938 /nfs/dbraw/zinc/61/99/38/588619938.db2.gz ZHAJNHFCADTLPM-DCAQKATOSA-N 2 0 226.320 0.289 20 0 BCADRP [NH3+]C[C@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000852743788 588698752 /nfs/dbraw/zinc/69/87/52/588698752.db2.gz KETUPGYWFIWPCB-VXGBXAGGSA-N 3 0 239.363 0.178 20 0 BCADRP C[N@H+](CCOC(F)F)C1CC[NH2+]CC1 ZINC000852744278 588698928 /nfs/dbraw/zinc/69/89/28/588698928.db2.gz XFEJEGWGQTXWPE-UHFFFAOYSA-N 2 0 208.252 0.909 20 0 BCADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000852743786 588699166 /nfs/dbraw/zinc/69/91/66/588699166.db2.gz KETUPGYWFIWPCB-NWDGAFQWSA-N 3 0 239.363 0.178 20 0 BCADRP [NH3+]CCC[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852760509 588700537 /nfs/dbraw/zinc/70/05/37/588700537.db2.gz HAKHHFDUMJERCE-UHFFFAOYSA-N 2 0 227.308 0.252 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)C=C1CC[NH2+]CC1 ZINC000852797734 588703687 /nfs/dbraw/zinc/70/36/87/588703687.db2.gz AHQFOGMEHBXTNW-ZDUSSCGKSA-N 2 0 239.363 0.786 20 0 BCADRP CC(C)([NH3+])CNC(=O)C=C1CC[NH2+]CC1 ZINC000852798369 588703884 /nfs/dbraw/zinc/70/38/84/588703884.db2.gz JHDQKTXLRSBBPF-UHFFFAOYSA-N 2 0 211.309 0.150 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000852799002 588704039 /nfs/dbraw/zinc/70/40/39/588704039.db2.gz PQGBTJKENXCLML-OLZOCXBDSA-N 2 0 249.358 0.649 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)[C@H]2[NH2+]CC23CCCC3)C1 ZINC000852824413 588705724 /nfs/dbraw/zinc/70/57/24/588705724.db2.gz BDFLGBSYYOPECR-GHMZBOCLSA-N 2 0 237.347 0.326 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2[NH2+]CC23CCCC3)C1 ZINC000852826314 588706013 /nfs/dbraw/zinc/70/60/13/588706013.db2.gz STDLHJMPZAUEPL-GHMZBOCLSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2[NH2+]CC23CCCC3)CC[NH2+]1 ZINC000852825815 588706024 /nfs/dbraw/zinc/70/60/24/588706024.db2.gz WJQLVWDEXIKEGO-QWRGUYRKSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000852827015 588706094 /nfs/dbraw/zinc/70/60/94/588706094.db2.gz YRIUMLAROIHGAJ-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1[NH2+]CC12CCCC2 ZINC000852825467 588706097 /nfs/dbraw/zinc/70/60/97/588706097.db2.gz KQWOYZPEMVCEIE-LLVKDONJSA-N 2 0 239.363 0.634 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1[NH2+]CC12CCCC2 ZINC000852825356 588706178 /nfs/dbraw/zinc/70/61/78/588706178.db2.gz OZCPCBMORMTXEJ-GHMZBOCLSA-N 2 0 239.363 0.618 20 0 BCADRP O=C(NCC[NH2+]C1CC1)[C@@H]1[NH2+]CC12CCCC2 ZINC000852825069 588706181 /nfs/dbraw/zinc/70/61/81/588706181.db2.gz JHMOJYKHSFHXLG-NSHDSACASA-N 2 0 237.347 0.387 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000852832543 588706820 /nfs/dbraw/zinc/70/68/20/588706820.db2.gz NDYGIWVRRIJVFH-JGVFFNPUSA-N 2 0 235.278 0.098 20 0 BCADRP CN(Cc1c[nH]cn1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000852837121 588707209 /nfs/dbraw/zinc/70/72/09/588707209.db2.gz QDMVSFSYCAKSOF-SNVBAGLBSA-N 2 0 222.292 0.496 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C[C@@H]([NH3+])C1CC1 ZINC000852842514 588707664 /nfs/dbraw/zinc/70/76/64/588707664.db2.gz XDJJRJYRDNQTHK-SECBINFHSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@H](CCNC(=O)[C@]1(F)CC[NH2+]C1)[NH+](C)C ZINC000852846150 588707912 /nfs/dbraw/zinc/70/79/12/588707912.db2.gz DBHHCICTDFIKLQ-KOLCDFICSA-N 2 0 231.315 0.144 20 0 BCADRP C[NH+](C)CCCCNC(=O)C=C1CC[NH2+]CC1 ZINC000852858537 588708782 /nfs/dbraw/zinc/70/87/82/588708782.db2.gz CBLAMCUNMORCHK-UHFFFAOYSA-N 2 0 239.363 0.754 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000852859499 588708892 /nfs/dbraw/zinc/70/88/92/588708892.db2.gz VTJSOGKFXRAPGN-QTZUAFFRSA-N 2 0 223.320 0.077 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)C[C@H]([NH3+])C1CC1 ZINC000852858853 588708913 /nfs/dbraw/zinc/70/89/13/588708913.db2.gz IXFGOYXXGWAPRV-BSTRBVHOSA-N 2 0 223.320 0.064 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)C[C@@H]([NH3+])C1CC1 ZINC000852858855 588708982 /nfs/dbraw/zinc/70/89/82/588708982.db2.gz IXFGOYXXGWAPRV-KRBLXSNTSA-N 2 0 223.320 0.064 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000852867785 588709450 /nfs/dbraw/zinc/70/94/50/588709450.db2.gz CDDJCGKWLHYMSA-MNOVXSKESA-N 2 0 227.352 0.603 20 0 BCADRP [NH3+]C1(CNC(=O)C=C2CC[NH2+]CC2)CCC1 ZINC000852876272 588710228 /nfs/dbraw/zinc/71/02/28/588710228.db2.gz XADYKUXEXDESFT-UHFFFAOYSA-N 2 0 223.320 0.294 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000852877830 588710534 /nfs/dbraw/zinc/71/05/34/588710534.db2.gz DNHFPAYVMKCFDN-BETUJISGSA-N 2 0 249.358 0.649 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852878126 588710562 /nfs/dbraw/zinc/71/05/62/588710562.db2.gz IOSQDNRSELKBAF-NEPJUHHUSA-N 2 0 237.347 0.682 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852879780 588710636 /nfs/dbraw/zinc/71/06/36/588710636.db2.gz ZKEFERGVSUSDLZ-CYBMUJFWSA-N 2 0 237.347 0.494 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C=C2CC[NH2+]CC2)CC[NH2+]1 ZINC000852878759 588710766 /nfs/dbraw/zinc/71/07/66/588710766.db2.gz OCCZUKPYGGDPFA-PWSUYJOCSA-N 2 0 237.347 0.553 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000852882111 588710885 /nfs/dbraw/zinc/71/08/85/588710885.db2.gz YFHZGGMFLZVLJX-STQMWFEESA-N 2 0 249.358 0.507 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C=C1CC[NH2+]CC1 ZINC000852882808 588711325 /nfs/dbraw/zinc/71/13/25/588711325.db2.gz QKOYVUNYZHQXOM-NSHDSACASA-N 2 0 237.347 0.553 20 0 BCADRP CN(C(=O)C=C1CC[NH2+]CC1)C1(C[NH3+])CCC1 ZINC000852882612 588711351 /nfs/dbraw/zinc/71/13/51/588711351.db2.gz MWFGJJIZZCFLAD-UHFFFAOYSA-N 2 0 237.347 0.636 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCCCCCC[NH3+] ZINC000852894197 588711787 /nfs/dbraw/zinc/71/17/87/588711787.db2.gz HNGZHSJKTJEPDA-SNVBAGLBSA-N 2 0 215.341 0.620 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)C=C1CC[NH2+]CC1 ZINC000852892336 588711814 /nfs/dbraw/zinc/71/18/14/588711814.db2.gz DRVSXDPOWFDJLR-UHFFFAOYSA-N 2 0 225.336 0.540 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000861565083 589168479 /nfs/dbraw/zinc/16/84/79/589168479.db2.gz FJWUICPETYPSJE-VHSXEESVSA-N 2 0 228.340 0.069 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)NCC1([NH+](C)C)CCC1 ZINC000861621649 589170592 /nfs/dbraw/zinc/17/05/92/589170592.db2.gz MIBWXCSSGYVVPD-JTQLQIEISA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)NCCC1=CC[NH2+]CC1 ZINC000861643304 589172495 /nfs/dbraw/zinc/17/24/95/589172495.db2.gz COQFLFYSBWMENK-SNVBAGLBSA-N 2 0 240.351 0.285 20 0 BCADRP CON(C)C(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000863545754 589297689 /nfs/dbraw/zinc/29/76/89/589297689.db2.gz BCTFFSSCYADWBA-AEJSXWLSSA-N 2 0 229.324 0.254 20 0 BCADRP CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000863546150 589297964 /nfs/dbraw/zinc/29/79/64/589297964.db2.gz FAZCDOYDCOBNMB-DJLDLDEBSA-N 2 0 217.313 0.110 20 0 BCADRP CON(C)C(=O)[C@@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000863545763 589298173 /nfs/dbraw/zinc/29/81/73/589298173.db2.gz BCTFFSSCYADWBA-UTLUCORTSA-N 2 0 229.324 0.254 20 0 BCADRP C[N@H+](CCOCC[NH3+])CCOC(F)F ZINC000863556777 589299106 /nfs/dbraw/zinc/29/91/06/589299106.db2.gz HGXYVTNKHDLUOD-UHFFFAOYSA-N 2 0 212.240 0.133 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC000863972441 589330752 /nfs/dbraw/zinc/33/07/52/589330752.db2.gz DWRRVIQHROLUEH-DDHJBXDOSA-N 2 0 239.363 0.761 20 0 BCADRP CC[NH+](CC)CCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864452420 589365335 /nfs/dbraw/zinc/36/53/35/589365335.db2.gz QAPMTMPGVAKSRN-NXEZZACHSA-N 2 0 212.341 0.851 20 0 BCADRP C[C@H]1C[C@H]1NC(=[NH2+])NCCCC[NH+](C)C ZINC000864452953 589365466 /nfs/dbraw/zinc/36/54/66/589365466.db2.gz QYVUMKIBYGBRQA-VHSXEESVSA-N 2 0 212.341 0.851 20 0 BCADRP C[C@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)[NH+]1CCCC1 ZINC000864454310 589366081 /nfs/dbraw/zinc/36/60/81/589366081.db2.gz WKJLFLQIVSKUMW-MXWKQRLJSA-N 2 0 224.352 0.993 20 0 BCADRP C[C@H]1C[C@@H]1NC(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000864462282 589369601 /nfs/dbraw/zinc/36/96/01/589369601.db2.gz LBMPQLMIDSSURE-ONGXEEELSA-N 2 0 222.336 0.771 20 0 BCADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC1([NH+](C)C)CCC1 ZINC000864463554 589369986 /nfs/dbraw/zinc/36/99/86/589369986.db2.gz IBKMVUYLYKDZLK-ZJUUUORDSA-N 2 0 224.352 0.993 20 0 BCADRP C[C@H]1OCC[C@@H]1[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000865659017 589454805 /nfs/dbraw/zinc/45/48/05/589454805.db2.gz CIUOCSJRJXFXEU-WOPDTQHZSA-N 2 0 242.363 0.599 20 0 BCADRP C[C@H]1OCC[C@H]1[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000865659014 589455017 /nfs/dbraw/zinc/45/50/17/589455017.db2.gz CIUOCSJRJXFXEU-GRYCIOLGSA-N 2 0 242.363 0.599 20 0 BCADRP C[N@H+](C[C@@H]1CCc2ncnn21)C1CCC([NH3+])CC1 ZINC000866660945 589508425 /nfs/dbraw/zinc/50/84/25/589508425.db2.gz JEKZKAJKJATCAA-MCIGGMRASA-N 2 0 249.362 0.967 20 0 BCADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCc1nnnn1C ZINC000866661799 589508541 /nfs/dbraw/zinc/50/85/41/589508541.db2.gz UYSSDSCMZUWNMU-SNVBAGLBSA-N 2 0 240.355 0.058 20 0 BCADRP C[C@@H]1C[N@H+](CCOC(F)F)C[C@H]1C[NH3+] ZINC000866673104 589511082 /nfs/dbraw/zinc/51/10/82/589511082.db2.gz WLRGNJRHMVQVPM-HTQZYQBOSA-N 2 0 208.252 0.752 20 0 BCADRP CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCC[NH3+] ZINC000866685428 589511787 /nfs/dbraw/zinc/51/17/87/589511787.db2.gz LOWJNCNOZBQRKG-JTQLQIEISA-N 2 0 228.340 0.119 20 0 BCADRP CC1(C)C[C@H](O)C[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000866703655 589513969 /nfs/dbraw/zinc/51/39/69/589513969.db2.gz NNHFCYQDWODYMG-MNOVXSKESA-N 2 0 212.337 0.689 20 0 BCADRP C[C@H](C(N)=O)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709395 589514052 /nfs/dbraw/zinc/51/40/52/589514052.db2.gz XEBJTYGBDYMSCV-SKDRFNHKSA-N 2 0 227.352 0.557 20 0 BCADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCOCC[NH3+])C1 ZINC000866706238 589514807 /nfs/dbraw/zinc/51/48/07/589514807.db2.gz GPDGIDPKLUZHRV-ZDUSSCGKSA-N 3 0 243.395 0.659 20 0 BCADRP C(C1CC[NH2+]CC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866720359 589515112 /nfs/dbraw/zinc/51/51/12/589515112.db2.gz JTSAHPIZOZTHPB-STQMWFEESA-N 2 0 223.364 0.812 20 0 BCADRP C(CN1CCC[C@@H]2[NH2+]CC[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000866723966 589515702 /nfs/dbraw/zinc/51/57/02/589515702.db2.gz KLTKMMORSBSOTD-AGIUHOORSA-N 2 0 223.364 0.812 20 0 BCADRP C[C@@H](NC(=O)CC1(C[NH3+])CC1)C1CC[NH2+]CC1 ZINC000868006576 589543771 /nfs/dbraw/zinc/54/37/71/589543771.db2.gz DKKFAHIZFBGCON-SNVBAGLBSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000868007387 589543812 /nfs/dbraw/zinc/54/38/12/589543812.db2.gz MPLOPCROBXBDHU-SNVBAGLBSA-N 2 0 227.352 0.489 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000868006564 589543916 /nfs/dbraw/zinc/54/39/16/589543916.db2.gz UCHXOZNEZKOYQB-IVZWLZJFSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000868005447 589543972 /nfs/dbraw/zinc/54/39/72/589543972.db2.gz PCNILLVACQFQDC-ZYHUDNBSSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000870866236 589691957 /nfs/dbraw/zinc/69/19/57/589691957.db2.gz OVLWCLIQVQONAC-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H](C)C[NH2+]1 ZINC000870912405 589696260 /nfs/dbraw/zinc/69/62/60/589696260.db2.gz FWOBVXZMLSNFFR-KXNHARMFSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H](C)C[NH2+]1 ZINC000870912404 589696515 /nfs/dbraw/zinc/69/65/15/589696515.db2.gz FWOBVXZMLSNFFR-KKOKHZNYSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC000870913399 589696811 /nfs/dbraw/zinc/69/68/11/589696811.db2.gz UHPGUUYKIUHQBK-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)CC[NH2+]CC1CC1 ZINC000870942395 589697126 /nfs/dbraw/zinc/69/71/26/589697126.db2.gz MTKYSTGARJYWQM-SNVBAGLBSA-N 2 0 227.352 0.490 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000870933913 589698035 /nfs/dbraw/zinc/69/80/35/589698035.db2.gz ALZDMUTYQKMZIZ-TUAOUCFPSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870934195 589698057 /nfs/dbraw/zinc/69/80/57/589698057.db2.gz HLDYNVDOEIJLQD-SRVKXCTJSA-N 2 0 239.363 0.844 20 0 BCADRP O=C(CC[NH2+]CC1CC1)N[C@@H]1CCC[NH2+]C1 ZINC000870933435 589698083 /nfs/dbraw/zinc/69/80/83/589698083.db2.gz YNBRVYULRRPSNK-LLVKDONJSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870933932 589698105 /nfs/dbraw/zinc/69/81/05/589698105.db2.gz AVCTYVJZVCTHBD-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870933308 589698238 /nfs/dbraw/zinc/69/82/38/589698238.db2.gz UGBCNFBXLAIDRL-AOOOYVTPSA-N 2 0 213.325 0.230 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870933281 589698269 /nfs/dbraw/zinc/69/82/69/589698269.db2.gz STLKFXKTMWCPLR-SCVCMEIPSA-N 2 0 225.336 0.230 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870935780 589698349 /nfs/dbraw/zinc/69/83/49/589698349.db2.gz SOQOLACHVPAPRL-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[C@H]1[NH3+] ZINC000870936190 589698635 /nfs/dbraw/zinc/69/86/35/589698635.db2.gz CYFRGMMPIABYFF-IRCOFANPSA-N 2 0 239.363 0.700 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870937583 589698652 /nfs/dbraw/zinc/69/86/52/589698652.db2.gz NGODTZGONHIQPX-OUAUKWLOSA-N 2 0 225.336 0.454 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870937168 589698697 /nfs/dbraw/zinc/69/86/97/589698697.db2.gz VQSPQMKLRSRABD-GRYCIOLGSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870937924 589698705 /nfs/dbraw/zinc/69/87/05/589698705.db2.gz CNXCUPFYTWXXPR-LPEHRKFASA-N 2 0 213.325 0.215 20 0 BCADRP CN(C(=O)CCC12CC(C1)C[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000870937210 589698825 /nfs/dbraw/zinc/69/88/25/589698825.db2.gz WKNDZIVTCWTVGO-AKJDGMEZSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870937362 589698937 /nfs/dbraw/zinc/69/89/37/589698937.db2.gz HEUJBANADQLEEU-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870937194 589698943 /nfs/dbraw/zinc/69/89/43/589698943.db2.gz WEEIONVNMPFQLB-QWKFWESOSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870938454 589699098 /nfs/dbraw/zinc/69/90/98/589699098.db2.gz PFYTWFDWQLGYES-GRZMOONWSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+][C@H](CNC(=O)CCC12CC(C1)C[NH2+]2)C1CC1 ZINC000870938622 589699190 /nfs/dbraw/zinc/69/91/90/589699190.db2.gz BAJIAEWKYMKCMT-DMLGSKKGSA-N 2 0 237.347 0.372 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870939139 589699221 /nfs/dbraw/zinc/69/92/21/589699221.db2.gz KWGVCORWGMTYQB-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000870939190 589699272 /nfs/dbraw/zinc/69/92/72/589699272.db2.gz MMVGOKOZRGONTR-RCWTZXSCSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000870939468 589699279 /nfs/dbraw/zinc/69/92/79/589699279.db2.gz UTASJSQOQPVAFQ-WHOHXGKFSA-N 2 0 239.363 0.700 20 0 BCADRP C[NH2+]CCN(C)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870938676 589699335 /nfs/dbraw/zinc/69/93/35/589699335.db2.gz CASJTURXPHFLSZ-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CC[NH2+]CC2CC2)CC[NH2+]1 ZINC000870942595 589699968 /nfs/dbraw/zinc/69/99/68/589699968.db2.gz QNKBJQUBFALQJA-PWSUYJOCSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870944858 589699999 /nfs/dbraw/zinc/69/99/99/589699999.db2.gz LSEZEXRFDXXNMO-IIEKFROSSA-N 2 0 237.347 0.357 20 0 BCADRP CN(C(=O)CCC12CC(C1)C[NH2+]2)C1CC([NH3+])C1 ZINC000870944166 589700133 /nfs/dbraw/zinc/70/01/33/589700133.db2.gz CBMCCJXDDJSXKS-UHFFFAOYSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000870945037 589700292 /nfs/dbraw/zinc/70/02/92/589700292.db2.gz NQVOWTJHDFZQQQ-IRCOFANPSA-N 2 0 239.363 0.748 20 0 BCADRP CC1(C)CN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC000870945210 589700319 /nfs/dbraw/zinc/70/03/19/589700319.db2.gz HGMPYEHZPMJFJX-XYPYZODXSA-N 2 0 239.363 0.714 20 0 BCADRP CN(C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@H](C[NH3+])C1CC1 ZINC000870947254 589700508 /nfs/dbraw/zinc/70/05/08/589700508.db2.gz YGLFZGZTUVSRGB-XZUYRWCXSA-N 2 0 237.347 0.310 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870947394 589700873 /nfs/dbraw/zinc/70/08/73/589700873.db2.gz PDASQCSWRMQTTO-KYXWUPHJSA-N 2 0 213.325 0.356 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870954747 589701124 /nfs/dbraw/zinc/70/11/24/589701124.db2.gz ITUBDVRXMLEOQC-ACZMLEFUSA-N 2 0 237.347 0.454 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000870964247 589702003 /nfs/dbraw/zinc/70/20/03/589702003.db2.gz VCRBLQKMASORFG-SDDRHHMPSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965908 589702414 /nfs/dbraw/zinc/70/24/14/589702414.db2.gz XWYBRRTZZUTZSX-CHWFTXMASA-N 2 0 225.336 0.228 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870970875 589703177 /nfs/dbraw/zinc/70/31/77/589703177.db2.gz NHWKMQDSTVZLJS-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000870972027 589703478 /nfs/dbraw/zinc/70/34/78/589703478.db2.gz NXCBIKBGZNLEQN-XWLWVQCSSA-N 2 0 227.352 0.459 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000870972066 589703632 /nfs/dbraw/zinc/70/36/32/589703632.db2.gz QDVLXBVGDQKHML-UMSPYCQHSA-N 2 0 233.315 0.612 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000870972026 589703761 /nfs/dbraw/zinc/70/37/61/589703761.db2.gz NXCBIKBGZNLEQN-NAKRPEOUSA-N 2 0 227.352 0.459 20 0 BCADRP [NH3+]CCCCCCC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972117 589703824 /nfs/dbraw/zinc/70/38/24/589703824.db2.gz SJTHJCNOAQKKNJ-XYPYZODXSA-N 2 0 227.352 0.749 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)CC(C)(C)[NH3+])CC[C@H]21 ZINC000870980764 589704826 /nfs/dbraw/zinc/70/48/26/589704826.db2.gz BPBOLITWLAFOQZ-WDEREUQCSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870982963 589705376 /nfs/dbraw/zinc/70/53/76/589705376.db2.gz QZOSNTHVKKVORR-QWRGUYRKSA-N 2 0 225.336 0.149 20 0 BCADRP C[NH2+]CCC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870984503 589705947 /nfs/dbraw/zinc/70/59/47/589705947.db2.gz WNPKXJMIOPPASC-SECBINFHSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@@H](NC(=O)[C@H](C)[NH2+]C1CC1)C1CC[NH2+]CC1 ZINC000870985541 589706175 /nfs/dbraw/zinc/70/61/75/589706175.db2.gz FQXKDLOUYLVATB-ZJUUUORDSA-N 2 0 239.363 0.631 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870986000 589706197 /nfs/dbraw/zinc/70/61/97/589706197.db2.gz LREQITFGVXFUGG-MNOVXSKESA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H](NC(=O)[C@H]([NH3+])C1CCC1)C1CC[NH2+]CC1 ZINC000870987596 589706276 /nfs/dbraw/zinc/70/62/76/589706276.db2.gz ODXYBUFKVKUNCV-JOYOIKCWSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H](NC(=O)[C@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000870988233 589706924 /nfs/dbraw/zinc/70/69/24/589706924.db2.gz JUCPOBJEQGSHKQ-GXSJLCMTSA-N 2 0 225.336 0.243 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870987561 589706975 /nfs/dbraw/zinc/70/69/75/589706975.db2.gz NHQBHJLVNICZML-ZYHUDNBSSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)([NH3+])C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870993716 589707472 /nfs/dbraw/zinc/70/74/72/589707472.db2.gz KVYMFBDDUGQVSF-CYBMUJFWSA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000870994973 589708099 /nfs/dbraw/zinc/70/80/99/589708099.db2.gz ZRYXUZWVNNWYDU-MFKMUULPSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000871005876 589709731 /nfs/dbraw/zinc/70/97/31/589709731.db2.gz IIINHDFFTWJERE-MDZLAQPJSA-N 2 0 237.347 0.326 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000123621520 589759315 /nfs/dbraw/zinc/75/93/15/589759315.db2.gz IOJUODWLRNMDKI-LBPRGKRZSA-N 2 0 239.363 0.666 20 0 BCADRP CC[NH+](CC)CCNC(=[NH2+])N(C)CCOC ZINC000871603177 589773431 /nfs/dbraw/zinc/77/34/31/589773431.db2.gz ICWAXLSJQIQQHH-UHFFFAOYSA-N 2 0 230.356 0.431 20 0 BCADRP CC(C)OC[C@@H](O)C[NH2+]CCCn1ccnc1 ZINC000871964876 589847557 /nfs/dbraw/zinc/84/75/57/589847557.db2.gz FIKLYVSISMOZLX-LBPRGKRZSA-N 2 0 241.335 0.649 20 0 BCADRP [NH3+][C@@H]1CCN(C[C@H]2CC3(CCC3)CO2)C1 ZINC000872141854 589879895 /nfs/dbraw/zinc/87/98/95/589879895.db2.gz WREOCPMLDDRMAR-GHMZBOCLSA-N 2 0 210.321 0.979 20 0 BCADRP [NH3+]CCN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151922 589884851 /nfs/dbraw/zinc/88/48/51/589884851.db2.gz NMOPKTHVLQAZMX-NKWVEPMBSA-N 2 0 211.231 0.014 20 0 BCADRP C[N@H+](CCCCCC[NH3+])C[C@H]1CNCCO1 ZINC000872156167 589886314 /nfs/dbraw/zinc/88/63/14/589886314.db2.gz FPLDHPKENAVWTH-GFCCVEGCSA-N 2 0 229.368 0.426 20 0 BCADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872201714 589890887 /nfs/dbraw/zinc/89/08/87/589890887.db2.gz HXKXTPSUUIIIEX-QWRGUYRKSA-N 2 0 232.368 0.438 20 0 BCADRP CN(C(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[C@@H]1CC[NH2+]C1 ZINC000872258011 589900997 /nfs/dbraw/zinc/90/09/97/589900997.db2.gz PUDUWPPLCLPHRO-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000872290254 589906181 /nfs/dbraw/zinc/90/61/81/589906181.db2.gz KMBDFPBORAEVMA-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000872297105 589907281 /nfs/dbraw/zinc/90/72/81/589907281.db2.gz GOZWUGJTCWQDLN-QMMMGPOBSA-N 2 0 249.305 0.569 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[NH2+]CCC1(C)C ZINC000872297967 589907770 /nfs/dbraw/zinc/90/77/70/589907770.db2.gz ZQPKJLWYJGTFCA-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[NH2+]CCC1(C)C ZINC000872302026 589907904 /nfs/dbraw/zinc/90/79/04/589907904.db2.gz YRPKERXQINRKQO-UHFFFAOYSA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[NH2+]CCC1(C)C ZINC000872301308 589907983 /nfs/dbraw/zinc/90/79/83/589907983.db2.gz PINCPKXLGWBESU-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[NH2+]CCC1(C)C ZINC000872300509 589908118 /nfs/dbraw/zinc/90/81/18/589908118.db2.gz JHEJXVFTRGRNDU-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[NH2+]CCC1(C)C ZINC000872298593 589908187 /nfs/dbraw/zinc/90/81/87/589908187.db2.gz NZRUNDVOBQPAMK-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000872302066 589908204 /nfs/dbraw/zinc/90/82/04/589908204.db2.gz ZFKZLVJNVZNDKM-MGCOHNPYSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872308186 589908608 /nfs/dbraw/zinc/90/86/08/589908608.db2.gz BOGXACAJGWEZRB-LNSPPBFMSA-N 2 0 237.347 0.371 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872308316 589908645 /nfs/dbraw/zinc/90/86/45/589908645.db2.gz XFQZGIHAQUSANU-WHOHXGKFSA-N 2 0 239.363 0.761 20 0 BCADRP CCN(C)C[C@H](O)C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872316532 589910391 /nfs/dbraw/zinc/91/03/91/589910391.db2.gz OGOCTOKUJKGNPB-UPJWGTAASA-N 2 0 242.363 0.600 20 0 BCADRP [NH3+][C@H]1CCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873202330 589992861 /nfs/dbraw/zinc/99/28/61/589992861.db2.gz XGFIQQFCIWBSDT-JTQLQIEISA-N 2 0 237.372 0.927 20 0 BCADRP [NH3+][C@@H]1CCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873202331 589993045 /nfs/dbraw/zinc/99/30/45/589993045.db2.gz XGFIQQFCIWBSDT-SNVBAGLBSA-N 2 0 237.372 0.927 20 0 BCADRP c1c(CN[C@@H]2CC[NH2+]C2)sc2c1C[NH2+]CC2 ZINC000873211379 589996201 /nfs/dbraw/zinc/99/62/01/589996201.db2.gz ZJGJWPXZUPQBOE-SNVBAGLBSA-N 2 0 237.372 0.845 20 0 BCADRP Nc1cnc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cn1 ZINC000873212962 589996836 /nfs/dbraw/zinc/99/68/36/589996836.db2.gz SFVVEKMQRGVLJN-JTQLQIEISA-N 2 0 235.335 0.681 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1Cc1cnc(N)cn1 ZINC000873214089 589997244 /nfs/dbraw/zinc/99/72/44/589997244.db2.gz XNWCGJNBHZNBAE-IUCAKERBSA-N 2 0 221.308 0.370 20 0 BCADRP CC(C)([NH3+])C[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000873215787 589997926 /nfs/dbraw/zinc/99/79/26/589997926.db2.gz FMYRYOHDGDPTLZ-OGBGREFGSA-N 2 0 210.321 0.737 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(Cc3cnc(N)cn3)CC[C@H]21 ZINC000873221600 589999716 /nfs/dbraw/zinc/99/97/16/589999716.db2.gz LQIFCXUPFLMOKK-CMPLNLGQSA-N 2 0 247.346 0.585 20 0 BCADRP C[C@H]([NH2+][C@H]1CNC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000873221017 589999856 /nfs/dbraw/zinc/99/98/56/589999856.db2.gz XEWXGMHXMPNWDI-GMXVVIOVSA-N 2 0 225.380 0.962 20 0 BCADRP CC(C)([NH3+])CN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873228255 590001237 /nfs/dbraw/zinc/00/12/37/590001237.db2.gz RAPUSTQJVGSWCR-HTQZYQBOSA-N 2 0 239.285 0.793 20 0 BCADRP C(N[C@]12CCC[C@H]1[NH2+]CC2)C12CC(C1)C[NH2+]2 ZINC000873232388 590003492 /nfs/dbraw/zinc/00/34/92/590003492.db2.gz XVPVPHPWLSNMBK-KPFVRQRISA-N 2 0 221.348 0.613 20 0 BCADRP C[C@H](N[C@H]1CC[N@H+](CC(C)(C)O)C1)C1C[NH2+]C1 ZINC000873236416 590004705 /nfs/dbraw/zinc/00/47/05/590004705.db2.gz XLNFKCKCWNLFBE-JQWIXIFHSA-N 2 0 241.379 0.029 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000873239382 590005057 /nfs/dbraw/zinc/00/50/57/590005057.db2.gz VGBWDWAKZWSSBL-AIGXORKKSA-N 2 0 222.332 0.879 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873248425 590007002 /nfs/dbraw/zinc/00/70/02/590007002.db2.gz ACJQWYPENUOAIO-NNYUYHANSA-N 3 0 211.353 0.831 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000873251196 590008373 /nfs/dbraw/zinc/00/83/73/590008373.db2.gz VABSXFHYJJPABO-WYUUTHIRSA-N 3 0 211.353 0.701 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cnn(C)c1 ZINC000873254084 590009726 /nfs/dbraw/zinc/00/97/26/590009726.db2.gz KLNSCLLRNDXAHN-ATZCPNFKSA-N 2 0 208.309 0.808 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873254676 590009997 /nfs/dbraw/zinc/00/99/97/590009997.db2.gz ACJQWYPENUOAIO-FIQHERPVSA-N 3 0 211.353 0.831 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000873255023 590010421 /nfs/dbraw/zinc/01/04/21/590010421.db2.gz DDFYVJLFUDYKAL-BQUFFADESA-N 2 0 239.363 0.080 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000873254810 590010468 /nfs/dbraw/zinc/01/04/68/590010468.db2.gz BEDGFMGGTHTRSE-BJDJZHNGSA-N 3 0 211.353 0.796 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1nccn1C ZINC000873256758 590011444 /nfs/dbraw/zinc/01/14/44/590011444.db2.gz QDGQQLBMDGPWCB-OPRDCNLKSA-N 2 0 208.309 0.808 20 0 BCADRP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256697 590011470 /nfs/dbraw/zinc/01/14/70/590011470.db2.gz OYRLQMWSJFQURL-GUBZILKMSA-N 2 0 234.365 0.137 20 0 BCADRP Cc1nonc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000873295414 590024214 /nfs/dbraw/zinc/02/42/14/590024214.db2.gz IAORAJFOYMLDER-GARJFASQSA-N 2 0 236.319 0.856 20 0 BCADRP CC[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000873297141 590024898 /nfs/dbraw/zinc/02/48/98/590024898.db2.gz RZMDBZIMFZUDHM-KKOKHZNYSA-N 2 0 212.337 0.878 20 0 BCADRP C[C@@H](NC[C@@H]1Cc2ccccc2C[NH2+]1)C1C[NH2+]C1 ZINC000873297197 590025036 /nfs/dbraw/zinc/02/50/36/590025036.db2.gz TYCZSNCBDORPSG-ABAIWWIYSA-N 2 0 245.370 0.898 20 0 BCADRP CC[C@H]([NH2+]C[C@H]1C[C@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000873297140 590025194 /nfs/dbraw/zinc/02/51/94/590025194.db2.gz RZMDBZIMFZUDHM-BJDJZHNGSA-N 2 0 212.337 0.878 20 0 BCADRP C[C@H](C(=O)NC[C@H](C)[NH+]1CCCCC1)[NH+](C)C ZINC000874112067 590091981 /nfs/dbraw/zinc/09/19/81/590091981.db2.gz NBRFRCNZYKNRDR-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000874389646 590107847 /nfs/dbraw/zinc/10/78/47/590107847.db2.gz OATAZHQPOFFBEN-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP CC[NH+](CC)CCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000874430551 590108727 /nfs/dbraw/zinc/10/87/27/590108727.db2.gz LIOLMQGXBMAUHI-XYPYZODXSA-N 2 0 242.367 0.365 20 0 BCADRP C[NH+]1CCC(NC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000874432737 590110129 /nfs/dbraw/zinc/11/01/29/590110129.db2.gz QJEHXOBDKXXSQK-MGCOHNPYSA-N 2 0 240.351 0.117 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000874446485 590110973 /nfs/dbraw/zinc/11/09/73/590110973.db2.gz MXYZGLSMDVUDHS-GFCCVEGCSA-N 2 0 239.363 0.540 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)C1 ZINC000876504578 590204140 /nfs/dbraw/zinc/20/41/40/590204140.db2.gz PTOKSGQXTJFNOI-KBIXYVOKSA-N 2 0 237.347 0.363 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000876506007 590204703 /nfs/dbraw/zinc/20/47/03/590204703.db2.gz NIAKWXKKODMPSW-VHSXEESVSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876507967 590204850 /nfs/dbraw/zinc/20/48/50/590204850.db2.gz QVPVEWBZPNVXPS-IUCAKERBSA-N 2 0 213.325 0.086 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000876514949 590206676 /nfs/dbraw/zinc/20/66/76/590206676.db2.gz WBMXFRNGULILKX-HBNTYKKESA-N 2 0 239.363 0.557 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876518624 590206903 /nfs/dbraw/zinc/20/69/03/590206903.db2.gz HROZDOJKXCPMCZ-BXXZLRJFSA-N 2 0 225.336 0.396 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000876519764 590207016 /nfs/dbraw/zinc/20/70/16/590207016.db2.gz MODSPMIFSGNDMF-VGMNWLOBSA-N 2 0 247.289 0.037 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876520400 590207072 /nfs/dbraw/zinc/20/70/72/590207072.db2.gz KNXQRGMZHOVPNZ-UMNHJUIQSA-N 2 0 225.336 0.372 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000876518252 590207105 /nfs/dbraw/zinc/20/71/05/590207105.db2.gz OIBCKDURFZOHJV-FBUKTIRESA-N 2 0 237.347 0.205 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000876520709 590207309 /nfs/dbraw/zinc/20/73/09/590207309.db2.gz OFOWJPHWSACNSI-BJPDOBEOSA-N 2 0 225.336 0.252 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000876520711 590207472 /nfs/dbraw/zinc/20/74/72/590207472.db2.gz OFOWJPHWSACNSI-PXLFNHBNSA-N 2 0 225.336 0.252 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876524797 590208432 /nfs/dbraw/zinc/20/84/32/590208432.db2.gz SVLXTPBMBMWLNA-WDEREUQCSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000876530367 590209659 /nfs/dbraw/zinc/20/96/59/590209659.db2.gz MTSSBXQYLCCHEJ-CHWFTXMASA-N 2 0 243.326 0.143 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876530033 590209923 /nfs/dbraw/zinc/20/99/23/590209923.db2.gz JDTSFHBOKHQZQE-NXEZZACHSA-N 2 0 245.342 0.568 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000876529664 590210040 /nfs/dbraw/zinc/21/00/40/590210040.db2.gz JQWHLOPQAFKAMZ-HLUHBDAQSA-N 2 0 243.326 0.178 20 0 BCADRP C[C@H]1CN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC[NH2+]1 ZINC000876531511 590210295 /nfs/dbraw/zinc/21/02/95/590210295.db2.gz IAMYIYCZRCWGOV-LOWVWBTDSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876531689 590210339 /nfs/dbraw/zinc/21/03/39/590210339.db2.gz MINPNZQKIRGLHI-UMNHJUIQSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876532022 590210469 /nfs/dbraw/zinc/21/04/69/590210469.db2.gz AQZBWXNOJMVGKQ-GMTAPVOTSA-N 2 0 241.379 0.849 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000876534855 590210636 /nfs/dbraw/zinc/21/06/36/590210636.db2.gz FDENULSKJZRLCX-VWLQNONNSA-N 2 0 239.363 0.498 20 0 BCADRP [NH3+]C[C@H](NC(=O)/C=C/[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000876536380 590211032 /nfs/dbraw/zinc/21/10/32/590211032.db2.gz BHCSJEVYXXQQQV-NKYBOJQOSA-N 2 0 237.347 0.396 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876535341 590211040 /nfs/dbraw/zinc/21/10/40/590211040.db2.gz NJGOYYFHLUWQOH-BREBYQMCSA-N 2 0 241.379 0.849 20 0 BCADRP [NH3+]C[C@H](NC(=O)/C=C\[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000876536381 590211114 /nfs/dbraw/zinc/21/11/14/590211114.db2.gz BHCSJEVYXXQQQV-NNUYERKBSA-N 2 0 237.347 0.396 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CCC[NH3+] ZINC000876536389 590211267 /nfs/dbraw/zinc/21/12/67/590211267.db2.gz BKEWXCJXKLYKJR-UQRCUPDISA-N 2 0 225.336 0.205 20 0 BCADRP CN(C(=O)C1=CC[C@@H]([NH3+])C1)C1CCC([NH3+])CC1 ZINC000876540387 590212088 /nfs/dbraw/zinc/21/20/88/590212088.db2.gz IQDPVYUNWKEGNK-MOENNCHZSA-N 2 0 237.347 0.762 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876539415 590212279 /nfs/dbraw/zinc/21/22/79/590212279.db2.gz GLZUJUUSVBGSNU-ZJUUUORDSA-N 2 0 245.342 0.568 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876539879 590212350 /nfs/dbraw/zinc/21/23/50/590212350.db2.gz APPMURDJQIYYOF-ZJUUUORDSA-N 2 0 241.379 0.803 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876544465 590213076 /nfs/dbraw/zinc/21/30/76/590213076.db2.gz ULCYOJIEWULVRQ-OUAUKWLOSA-N 2 0 241.379 0.994 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876544464 590213118 /nfs/dbraw/zinc/21/31/18/590213118.db2.gz ULCYOJIEWULVRQ-MXWKQRLJSA-N 2 0 241.379 0.994 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876711516 590232508 /nfs/dbraw/zinc/23/25/08/590232508.db2.gz ZLHPWYQFQXJXDV-NXEZZACHSA-N 2 0 245.342 0.390 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876711523 590232788 /nfs/dbraw/zinc/23/27/88/590232788.db2.gz ZLHPWYQFQXJXDV-ZJUUUORDSA-N 2 0 245.342 0.390 20 0 BCADRP C[C@H](CNC(=O)/C=C/[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000876735522 590234258 /nfs/dbraw/zinc/23/42/58/590234258.db2.gz PCKXTTNMXPVDRL-BYAJROORSA-N 2 0 239.363 0.609 20 0 BCADRP C[C@H](CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000876736542 590234330 /nfs/dbraw/zinc/23/43/30/590234330.db2.gz VMJFAHGMXRFJNS-UTLUCORTSA-N 2 0 231.315 0.000 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000876785551 590240481 /nfs/dbraw/zinc/24/04/81/590240481.db2.gz AYQAIVHTYCCCHB-PNRLHAQJSA-N 2 0 225.336 0.109 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000876788797 590240845 /nfs/dbraw/zinc/24/08/45/590240845.db2.gz LMROLNDXDMLILL-AEJSXWLSSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000876796993 590242664 /nfs/dbraw/zinc/24/26/64/590242664.db2.gz QFVFQCIBOAOGTQ-FOGDFJRCSA-N 2 0 225.336 0.324 20 0 BCADRP CC1(C)[C@H](C(=O)NCC2=CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000876808760 590245103 /nfs/dbraw/zinc/24/51/03/590245103.db2.gz AQXPFICSAVLSGQ-QWRGUYRKSA-N 2 0 237.347 0.396 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000876808758 590245107 /nfs/dbraw/zinc/24/51/07/590245107.db2.gz AQXPFICSAVLSGQ-GHMZBOCLSA-N 2 0 237.347 0.396 20 0 BCADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)NCC1=CC[NH2+]CC1 ZINC000876810750 590245447 /nfs/dbraw/zinc/24/54/47/590245447.db2.gz YSIPYVDDHGWVAC-VSQXVHSFSA-N 2 0 249.358 0.578 20 0 BCADRP C[C@H]1CN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000876829202 590246935 /nfs/dbraw/zinc/24/69/35/590246935.db2.gz PXWVKDNFVNYBGN-XMXMHJJKSA-N 2 0 237.347 0.363 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876829272 590246952 /nfs/dbraw/zinc/24/69/52/590246952.db2.gz FUNQRWDUCIYQEW-OCIBVNFRSA-N 2 0 211.309 0.006 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)CC[NH2+]CC2CC2)[C@H]1C ZINC000876831261 590247546 /nfs/dbraw/zinc/24/75/46/590247546.db2.gz FCQFOPAIGDPKQR-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CC[NH2+]1 ZINC000876832444 590247722 /nfs/dbraw/zinc/24/77/22/590247722.db2.gz CVECPYYFFZBDAD-DBIOUOCHSA-N 2 0 239.363 0.617 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876836527 590248408 /nfs/dbraw/zinc/24/84/08/590248408.db2.gz BEDLPYMFLZEXFB-JIVBQCDMSA-N 2 0 239.363 0.656 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000876843739 590248915 /nfs/dbraw/zinc/24/89/15/590248915.db2.gz UGHYFLKVNKPULO-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000876850829 590249215 /nfs/dbraw/zinc/24/92/15/590249215.db2.gz CKDLMVNTGDBXNS-MWGXEHFNSA-N 2 0 237.347 0.346 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876858017 590250166 /nfs/dbraw/zinc/25/01/66/590250166.db2.gz NFJFNWJRKQAFBK-PBWNMSGQSA-N 2 0 239.363 0.786 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876857954 590250234 /nfs/dbraw/zinc/25/02/34/590250234.db2.gz LCVVAOYKBJEKGY-UTLUCORTSA-N 2 0 227.352 0.603 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000876857770 590250289 /nfs/dbraw/zinc/25/02/89/590250289.db2.gz VUIWPWWNRIZTRM-QEYWKRMJSA-N 2 0 243.326 0.176 20 0 BCADRP CN(C(=O)/C=C/[C@@H]1CCC[NH2+]C1)C1CC([NH3+])C1 ZINC000876862888 590251075 /nfs/dbraw/zinc/25/10/75/590251075.db2.gz WUESWBICKXKJGQ-HTTGOXBBSA-N 2 0 237.347 0.490 20 0 BCADRP CN(C(=O)[C@]12CCC[C@H]1[NH2+]CC2)C1CC([NH3+])C1 ZINC000876862239 590251093 /nfs/dbraw/zinc/25/10/93/590251093.db2.gz LOJPIGRSSHSLGL-KMFOADKKSA-N 2 0 237.347 0.467 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876865107 590251527 /nfs/dbraw/zinc/25/15/27/590251527.db2.gz ZRFUZKCBIRUWSX-DJLDLDEBSA-N 2 0 213.325 0.213 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876872449 590251789 /nfs/dbraw/zinc/25/17/89/590251789.db2.gz ZYYLSGYOAUFYBO-AXFHLTTASA-N 2 0 239.363 0.761 20 0 BCADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876872115 590251805 /nfs/dbraw/zinc/25/18/05/590251805.db2.gz REGQJWZFNHXRGH-FWIQHPNGSA-N 2 0 249.358 0.363 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000876870655 590251819 /nfs/dbraw/zinc/25/18/19/590251819.db2.gz BBWLQZMBZUMXBI-GMTAPVOTSA-N 2 0 239.363 0.761 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876871071 590251831 /nfs/dbraw/zinc/25/18/31/590251831.db2.gz PLAVMDYMJGUNJX-VPOLOUISSA-N 2 0 237.347 0.180 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000876873114 590251892 /nfs/dbraw/zinc/25/18/92/590251892.db2.gz WCLUZVCPYNWQHA-VHSXEESVSA-N 2 0 239.363 0.570 20 0 BCADRP O=C(N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876871425 590251991 /nfs/dbraw/zinc/25/19/91/590251991.db2.gz RWQWGIYLTBGYII-CZXHOFHRSA-N 2 0 249.358 0.339 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCc1c[nH]cn1 ZINC000876882859 590253107 /nfs/dbraw/zinc/25/31/07/590253107.db2.gz UHSGUFHSVUFEKH-BDAKNGLRSA-N 2 0 222.292 0.399 20 0 BCADRP CN(C(=O)[C@H](F)[C@H]1CC[NH2+]C1)[C@H](C[NH3+])C1CC1 ZINC000876913315 590255944 /nfs/dbraw/zinc/25/59/44/590255944.db2.gz CUDVZRYGRHRINC-HBNTYKKESA-N 2 0 243.326 0.130 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876913747 590255982 /nfs/dbraw/zinc/25/59/82/590255982.db2.gz KMWVVTIILPZTSN-GUBZILKMSA-N 2 0 241.379 0.849 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876913748 590255999 /nfs/dbraw/zinc/25/59/99/590255999.db2.gz KMWVVTIILPZTSN-UTLUCORTSA-N 2 0 241.379 0.849 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000876913667 590256386 /nfs/dbraw/zinc/25/63/86/590256386.db2.gz SPCXSLFSGHNPAO-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP CN(C(=O)[C@H](F)[C@H]1CC[NH2+]C1)[C@@H](C[NH3+])C1CC1 ZINC000876913313 590256478 /nfs/dbraw/zinc/25/64/78/590256478.db2.gz CUDVZRYGRHRINC-GARJFASQSA-N 2 0 243.326 0.130 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876916084 590256721 /nfs/dbraw/zinc/25/67/21/590256721.db2.gz KLPRIABDUYGNQQ-NJQGNMFYSA-N 2 0 237.347 0.490 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876916415 590257057 /nfs/dbraw/zinc/25/70/57/590257057.db2.gz SGGKIAUETJFJOB-JXUBOQSCSA-N 2 0 225.336 0.308 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876921217 590257183 /nfs/dbraw/zinc/25/71/83/590257183.db2.gz MOQRHFUDGJWDBB-UWVGGRQHSA-N 2 0 231.315 0.002 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CCC[NH2+]C ZINC000876922380 590257254 /nfs/dbraw/zinc/25/72/54/590257254.db2.gz XLOWLIQETCDZBW-WBIIUDBISA-N 2 0 239.363 0.466 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CCC[NH2+]C ZINC000876922379 590257331 /nfs/dbraw/zinc/25/73/31/590257331.db2.gz XLOWLIQETCDZBW-CZVUKNJHSA-N 2 0 239.363 0.466 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876921216 590257370 /nfs/dbraw/zinc/25/73/70/590257370.db2.gz MOQRHFUDGJWDBB-NXEZZACHSA-N 2 0 231.315 0.002 20 0 BCADRP C[NH2+]CCCN(C)C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876921896 590257395 /nfs/dbraw/zinc/25/73/95/590257395.db2.gz MIIJUWKEMFRYSN-DGMVEKRQSA-N 2 0 239.363 0.610 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876926678 590257736 /nfs/dbraw/zinc/25/77/36/590257736.db2.gz CMSDKYHLBGXSKR-GZTOBOFZSA-N 2 0 239.363 0.786 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000876925083 590257823 /nfs/dbraw/zinc/25/78/23/590257823.db2.gz SXRVUEYNECVTAT-ZYHUDNBSSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000876927546 590258078 /nfs/dbraw/zinc/25/80/78/590258078.db2.gz FPNZXBRNDVETDY-CHWFTXMASA-N 2 0 227.352 0.556 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876934818 590258094 /nfs/dbraw/zinc/25/80/94/590258094.db2.gz ODRYSVYOBNYXOO-AXTSPUMRSA-N 2 0 227.352 0.602 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876934245 590258619 /nfs/dbraw/zinc/25/86/19/590258619.db2.gz FLEHLSRRNWVSHB-VBVSIGEKSA-N 2 0 239.363 0.784 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)CC[NH2+]CC1CC1 ZINC000876934253 590258678 /nfs/dbraw/zinc/25/86/78/590258678.db2.gz FQZZWJAKWLWPFG-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CC[NH2+]CC1CC1 ZINC000876934252 590258748 /nfs/dbraw/zinc/25/87/48/590258748.db2.gz FQZZWJAKWLWPFG-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP O=C(CC[NH2+]CC1CC1)NCCC[NH2+]C1CC1 ZINC000876938722 590258896 /nfs/dbraw/zinc/25/88/96/590258896.db2.gz OWMLTNPBBTYUEU-UHFFFAOYSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@]1(C(=O)NCCCCCC[NH3+])C[NH2+]CCO1 ZINC000876938112 590259121 /nfs/dbraw/zinc/25/91/21/590259121.db2.gz QEXMWYUYOOHNBQ-LBPRGKRZSA-N 2 0 243.351 0.000 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876952576 590260417 /nfs/dbraw/zinc/26/04/17/590260417.db2.gz UETHYFDDBBWAHV-DBIOUOCHSA-N 2 0 239.363 0.698 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CC[NH2+]CC1CC1 ZINC000876951801 590260483 /nfs/dbraw/zinc/26/04/83/590260483.db2.gz GPMCLLQKRVXRCW-JQWIXIFHSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](CCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C)[NH+](C)C ZINC000876960671 590261484 /nfs/dbraw/zinc/26/14/84/590261484.db2.gz JQZFDXKDBSZTMX-GMTAPVOTSA-N 2 0 241.379 0.816 20 0 BCADRP O=C(NCC12CC(C1)C[NH2+]2)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876974603 590263534 /nfs/dbraw/zinc/26/35/34/590263534.db2.gz MBZINLDIGNBBQQ-FDWMKNOZSA-N 2 0 249.358 0.387 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876976477 590263676 /nfs/dbraw/zinc/26/36/76/590263676.db2.gz LWXUJFHFWVGIDD-HBNTYKKESA-N 2 0 245.342 0.424 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@]1(F)CC[NH2+]C1 ZINC000877002454 590267974 /nfs/dbraw/zinc/26/79/74/590267974.db2.gz VHIFVHRNEYSHBZ-GXSJLCMTSA-N 2 0 241.310 0.089 20 0 BCADRP CCN(CC[NH3+])C(=O)CCCCC[NH3+] ZINC000877006389 590268382 /nfs/dbraw/zinc/26/83/82/590268382.db2.gz JOFXWRUSBXXIGI-UHFFFAOYSA-N 2 0 201.314 0.313 20 0 BCADRP CCN(CC[NH3+])C(=O)CCCCCC[NH3+] ZINC000877007785 590268934 /nfs/dbraw/zinc/26/89/34/590268934.db2.gz DVTVWFQUACFBIN-UHFFFAOYSA-N 2 0 215.341 0.703 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000877023275 590270349 /nfs/dbraw/zinc/27/03/49/590270349.db2.gz LQLPXDFBXIZDLE-WHOHXGKFSA-N 2 0 239.363 0.761 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000877023474 590270539 /nfs/dbraw/zinc/27/05/39/590270539.db2.gz SPDXURZSYUSVHL-UKKRHICBSA-N 2 0 243.326 0.191 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000877023472 590270631 /nfs/dbraw/zinc/27/06/31/590270631.db2.gz SPDXURZSYUSVHL-LMLFDSFASA-N 2 0 243.326 0.191 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)C=C2CC[NH2+]CC2)C[NH2+]1 ZINC000877052050 590274603 /nfs/dbraw/zinc/27/46/03/590274603.db2.gz OVIWQHUGUJBJLS-CMPLNLGQSA-N 2 0 237.347 0.553 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N(C)C[C@H](C)[NH3+] ZINC000877095086 590278874 /nfs/dbraw/zinc/27/88/74/590278874.db2.gz INUVSFNMSCEPON-WPRPVWTQSA-N 2 0 201.314 0.310 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000877095360 590281730 /nfs/dbraw/zinc/28/17/30/590281730.db2.gz KWTKTUNZPIHDIS-MWLCHTKSSA-N 2 0 221.304 0.492 20 0 BCADRP CC(C)[NH2+]CCC(=O)N(C)C[C@H](C)[NH3+] ZINC000877095081 590282064 /nfs/dbraw/zinc/28/20/64/590282064.db2.gz IDFJCAZCOREJQD-VIFPVBQESA-N 2 0 201.314 0.180 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000877102343 590283317 /nfs/dbraw/zinc/28/33/17/590283317.db2.gz FUDNDFAKZHQRGD-NXEZZACHSA-N 2 0 225.336 0.182 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103480 590283669 /nfs/dbraw/zinc/28/36/69/590283669.db2.gz VJUGXGBXXGYCHQ-SECBINFHSA-N 2 0 201.314 0.134 20 0 BCADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH3+] ZINC000877102506 590283672 /nfs/dbraw/zinc/28/36/72/590283672.db2.gz JDSBDKKDOLGIBG-VIFPVBQESA-N 2 0 201.314 0.132 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)CCC1CC[NH2+]CC1 ZINC000877102915 590283763 /nfs/dbraw/zinc/28/37/63/590283763.db2.gz OVHBUSGSSAOYRY-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000877102675 590283811 /nfs/dbraw/zinc/28/38/11/590283811.db2.gz LAORDQKEHWPHND-GARJFASQSA-N 2 0 227.352 0.665 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000877103702 590284150 /nfs/dbraw/zinc/28/41/50/590284150.db2.gz YCVSWSZIOASBCA-MWLCHTKSSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000877105709 590284950 /nfs/dbraw/zinc/28/49/50/590284950.db2.gz LVHQIODQRZAOJW-SNVBAGLBSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000877106938 590285542 /nfs/dbraw/zinc/28/55/42/590285542.db2.gz YAKZTGYOWUWKRE-DTWKUNHWSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877150847 590291845 /nfs/dbraw/zinc/29/18/45/590291845.db2.gz DFXNKUTVWPOWBL-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877151759 590292684 /nfs/dbraw/zinc/29/26/84/590292684.db2.gz QZNQGJPZVVKJLC-GHMZBOCLSA-N 2 0 241.379 0.879 20 0 BCADRP CC1(C)CC[C@H](CNC(=O)C[NH2+]C2CC2)[NH2+]C1 ZINC000877153764 590293401 /nfs/dbraw/zinc/29/34/01/590293401.db2.gz YNHHDUATTBQIQN-LLVKDONJSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877157978 590293909 /nfs/dbraw/zinc/29/39/09/590293909.db2.gz MUPCAQFCXISUEY-QWRGUYRKSA-N 2 0 241.379 0.736 20 0 BCADRP [NH3+]CCCCCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168452 590295446 /nfs/dbraw/zinc/29/54/46/590295446.db2.gz UVCRMMLJHUSKNV-UWVGGRQHSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000877171360 590296191 /nfs/dbraw/zinc/29/61/91/590296191.db2.gz FJRNKXMPNCKRJX-DBIOUOCHSA-N 2 0 225.336 0.452 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)CCC12CC(C1)C[NH2+]2 ZINC000877171623 590296208 /nfs/dbraw/zinc/29/62/08/590296208.db2.gz IWFNVOSBODGFMZ-URAGZPLESA-N 2 0 237.347 0.467 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C=C1CC[NH2+]CC1 ZINC000877172491 590296334 /nfs/dbraw/zinc/29/63/34/590296334.db2.gz RDXGWSQJKVIXPM-MWLCHTKSSA-N 2 0 223.320 0.244 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C=C1CC[NH2+]CC1 ZINC000877172492 590296387 /nfs/dbraw/zinc/29/63/87/590296387.db2.gz RDXGWSQJKVIXPM-ONGXEEELSA-N 2 0 223.320 0.244 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C=C1CC[NH2+]CC1 ZINC000877172490 590296445 /nfs/dbraw/zinc/29/64/45/590296445.db2.gz RDXGWSQJKVIXPM-KOLCDFICSA-N 2 0 223.320 0.244 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)CCCCC[NH3+] ZINC000877177951 590297324 /nfs/dbraw/zinc/29/73/24/590297324.db2.gz XGGMIKZHJYBUCI-VHSXEESVSA-N 2 0 213.325 0.454 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000877176239 590297297 /nfs/dbraw/zinc/29/72/97/590297297.db2.gz NOYNCVUGURSGGP-XHNCKOQMSA-N 2 0 211.309 0.075 20 0 BCADRP C[NH2+]CCC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187848 590298538 /nfs/dbraw/zinc/29/85/38/590298538.db2.gz JYFKJNUBFVPSFM-UHFFFAOYSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187870 590298603 /nfs/dbraw/zinc/29/86/03/590298603.db2.gz KOHXYIWYQXQFQW-SILCLGDVSA-N 2 0 211.309 0.064 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@]1(F)CC[NH2+]C1 ZINC000877191888 590299083 /nfs/dbraw/zinc/29/90/83/590299083.db2.gz BOHPEEIPNCFANG-NHNAUAITSA-N 2 0 241.310 0.170 20 0 BCADRP CC(C)[NH+]1CCC(CCNC(=O)CC[NH3+])CC1 ZINC000877200163 590300695 /nfs/dbraw/zinc/30/06/95/590300695.db2.gz HFVUJYHQBPNAPE-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000877241310 590302315 /nfs/dbraw/zinc/30/23/15/590302315.db2.gz NCRLQXRAPDSMAT-GARJFASQSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)/C=C\[C@H]2CCC[NH2+]C2)C1 ZINC000877240722 590302338 /nfs/dbraw/zinc/30/23/38/590302338.db2.gz AMNBVZDVBGCALK-MZBUWZLFSA-N 2 0 237.347 0.396 20 0 BCADRP CC1(C)[C@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1[NH3+] ZINC000877241786 590302341 /nfs/dbraw/zinc/30/23/41/590302341.db2.gz YIBYCYPPUKILRR-JXUBOQSCSA-N 2 0 225.336 0.213 20 0 BCADRP CC[C@]1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000877243446 590302869 /nfs/dbraw/zinc/30/28/69/590302869.db2.gz MHCMZHMDJGCGFD-CKYFFXLPSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877243892 590303163 /nfs/dbraw/zinc/30/31/63/590303163.db2.gz RPXXKUQKCZMREM-KYXWUPHJSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@@]1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000877244064 590303292 /nfs/dbraw/zinc/30/32/92/590303292.db2.gz UGPVDRDMLXSHJX-CKYFFXLPSA-N 2 0 225.336 0.230 20 0 BCADRP CC[NH2+]CC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000877251692 590303416 /nfs/dbraw/zinc/30/34/16/590303416.db2.gz UFMINKZRPOSFJB-LLVKDONJSA-N 2 0 227.352 0.395 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3=CC[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000877249104 590303532 /nfs/dbraw/zinc/30/35/32/590303532.db2.gz HSRHTRMECMLYCI-UPJWGTAASA-N 2 0 249.358 0.587 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC[C@H]21 ZINC000877250157 590303649 /nfs/dbraw/zinc/30/36/49/590303649.db2.gz OEDDGRKZUGLKIN-NJMOYASZSA-N 2 0 249.358 0.289 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877251054 590303800 /nfs/dbraw/zinc/30/38/00/590303800.db2.gz WYHGDNXUTMPESO-IJLUTSLNSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000877254670 590304181 /nfs/dbraw/zinc/30/41/81/590304181.db2.gz ZNCLIQMFOZIKHZ-FBIMIBRVSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000877254683 590304182 /nfs/dbraw/zinc/30/41/82/590304182.db2.gz ZNCLIQMFOZIKHZ-LSJOCFKGSA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000877254879 590304237 /nfs/dbraw/zinc/30/42/37/590304237.db2.gz HVXZFNMMNWXVNP-SCVCMEIPSA-N 2 0 241.379 0.864 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000877258736 590304243 /nfs/dbraw/zinc/30/42/43/590304243.db2.gz WUXUTDNDVQXXHS-AXFHLTTASA-N 2 0 243.326 0.274 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000877259721 590304480 /nfs/dbraw/zinc/30/44/80/590304480.db2.gz ZCZUGERFVXNVED-MXWKQRLJSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)[NH+](C)C ZINC000877271008 590304943 /nfs/dbraw/zinc/30/49/43/590304943.db2.gz AQINKICVXQRVIZ-HBNTYKKESA-N 2 0 225.336 0.289 20 0 BCADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C[NH3+] ZINC000877267223 590305252 /nfs/dbraw/zinc/30/52/52/590305252.db2.gz QZQDFWNPJKJSTQ-UHFFFAOYSA-N 2 0 241.379 0.772 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877274642 590305291 /nfs/dbraw/zinc/30/52/91/590305291.db2.gz MCTFRNPCSXBXLP-MNOVXSKESA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877271827 590305468 /nfs/dbraw/zinc/30/54/68/590305468.db2.gz FHJNUQBATIZHBP-BBBLOLIVSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877271825 590305636 /nfs/dbraw/zinc/30/56/36/590305636.db2.gz FHJNUQBATIZHBP-AEJSXWLSSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877284336 590306821 /nfs/dbraw/zinc/30/68/21/590306821.db2.gz SUBVAJKAVRMUER-XWLWVQCSSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877282723 590306948 /nfs/dbraw/zinc/30/69/48/590306948.db2.gz MUDSKUFPTQAULA-DLOVCJGASA-N 2 0 237.347 0.480 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877288782 590307076 /nfs/dbraw/zinc/30/70/76/590307076.db2.gz QTGVRDDCJBOPPT-SDDRHHMPSA-N 2 0 237.347 0.481 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877286097 590307105 /nfs/dbraw/zinc/30/71/05/590307105.db2.gz ATWWLFCWJZCONW-NEPJUHHUSA-N 2 0 239.363 0.727 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877285355 590307106 /nfs/dbraw/zinc/30/71/06/590307106.db2.gz ZXCGXNPMDVYVDG-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP O=C(N1CCC[C@@H]2[NH2+]CC[C@H]21)[C@]1(F)CC[NH2+]C1 ZINC000877287117 590307308 /nfs/dbraw/zinc/30/73/08/590307308.db2.gz JEQJPNQXVSOPII-UMNHJUIQSA-N 2 0 241.310 0.041 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877288475 590307360 /nfs/dbraw/zinc/30/73/60/590307360.db2.gz PFBNTBFCBQXQAY-LPEHRKFASA-N 2 0 211.309 0.077 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877347707 590318885 /nfs/dbraw/zinc/31/88/85/590318885.db2.gz ONZOMFGILSORGY-OLZOCXBDSA-N 2 0 247.342 0.554 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373992 590319597 /nfs/dbraw/zinc/31/95/97/590319597.db2.gz SOFNELHPEYRYRQ-MIZYBKAJSA-N 2 0 225.336 0.038 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877379028 590320247 /nfs/dbraw/zinc/32/02/47/590320247.db2.gz BMEKMCUBTZVHCE-CMPLNLGQSA-N 2 0 225.336 0.054 20 0 BCADRP [NH3+]CC1(CC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000877386116 590320768 /nfs/dbraw/zinc/32/07/68/590320768.db2.gz GLXOCRFEAVVPPW-GXFFZTMASA-N 2 0 237.347 0.516 20 0 BCADRP [NH3+]CC1(CC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000877386121 590320849 /nfs/dbraw/zinc/32/08/49/590320849.db2.gz GLXOCRFEAVVPPW-ZWNOBZJWSA-N 2 0 237.347 0.516 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)C1 ZINC000877387703 590321599 /nfs/dbraw/zinc/32/15/99/590321599.db2.gz PUPFZKGWHZJBPI-WYFGTUCQSA-N 2 0 223.320 0.125 20 0 BCADRP [NH3+]C1(CC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000877387422 590321670 /nfs/dbraw/zinc/32/16/70/590321670.db2.gz YQNLUYGCFNTNOO-CABZTGNLSA-N 2 0 223.320 0.269 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)co1 ZINC000877389801 590321672 /nfs/dbraw/zinc/32/16/72/590321672.db2.gz GLKBLLPGEQEMRG-WCQYABFASA-N 2 0 249.314 0.753 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877387406 590321792 /nfs/dbraw/zinc/32/17/92/590321792.db2.gz YMUWRDZKKGQNBV-FOGDFJRCSA-N 2 0 225.336 0.385 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877393443 590321926 /nfs/dbraw/zinc/32/19/26/590321926.db2.gz XUWBQPXYZCMKCV-AAEUAGOBSA-N 2 0 239.363 0.727 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877399269 590322000 /nfs/dbraw/zinc/32/20/00/590322000.db2.gz LVNOLGBWUGXOLR-IQJOONFLSA-N 2 0 211.309 0.125 20 0 BCADRP [NH3+][C@H](CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC000877390665 590322086 /nfs/dbraw/zinc/32/20/86/590322086.db2.gz KWUNLGCEOWGRFR-WZRBSPASSA-N 2 0 237.347 0.515 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877399270 590322123 /nfs/dbraw/zinc/32/21/23/590322123.db2.gz LVNOLGBWUGXOLR-NGZCFLSTSA-N 2 0 211.309 0.125 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877393467 590322479 /nfs/dbraw/zinc/32/24/79/590322479.db2.gz YCYGNKRRWRXQEP-AAEUAGOBSA-N 2 0 239.363 0.906 20 0 BCADRP [NH3+][C@H](CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2)C1CC1 ZINC000877390664 590322556 /nfs/dbraw/zinc/32/25/56/590322556.db2.gz KWUNLGCEOWGRFR-NTZNESFSSA-N 2 0 237.347 0.515 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)CCC1C[NH2+]C1 ZINC000877435774 590327604 /nfs/dbraw/zinc/32/76/04/590327604.db2.gz WQBRGBLMHIBEGP-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CCCCCC[NH3+] ZINC000877438049 590327877 /nfs/dbraw/zinc/32/78/77/590327877.db2.gz HULRWALZYRETFN-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000877437625 590328217 /nfs/dbraw/zinc/32/82/17/590328217.db2.gz OSXDLROLTPBEOV-PHIMTYICSA-N 2 0 227.352 0.701 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000877436762 590328286 /nfs/dbraw/zinc/32/82/86/590328286.db2.gz LWJHNMIFWPHLIH-WDEREUQCSA-N 2 0 243.351 0.080 20 0 BCADRP COC[C@@H](C)C[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000877665083 590388262 /nfs/dbraw/zinc/38/82/62/590388262.db2.gz GZEYCPDXWLPWLG-RYUDHWBXSA-N 2 0 244.379 0.704 20 0 BCADRP C[C@H]1CCCN(C(=O)C[C@@H]2CC[NH2+]C2)[C@H]1C[NH3+] ZINC000127663782 590747639 /nfs/dbraw/zinc/74/76/39/590747639.db2.gz BDNUKXPZNSKMIR-SRVKXCTJSA-N 2 0 239.363 0.572 20 0 BCADRP C[N@@H+]1CC[C@H]2C[NH+](CCCCO)CC[C@H]21 ZINC000879572448 590811468 /nfs/dbraw/zinc/81/14/68/590811468.db2.gz HJGCDEAIUVZSMP-NWDGAFQWSA-N 2 0 212.337 0.785 20 0 BCADRP CNC(=O)CCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578614 590816511 /nfs/dbraw/zinc/81/65/11/590816511.db2.gz FYWJXZWLSLLNNK-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CNC(=O)CCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879578615 590819182 /nfs/dbraw/zinc/81/91/82/590819182.db2.gz FYWJXZWLSLLNNK-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)OC ZINC000879581338 590821991 /nfs/dbraw/zinc/82/19/91/590821991.db2.gz YRCFIYBGUNBIJN-AGIUHOORSA-N 2 0 242.363 0.674 20 0 BCADRP C[C@H](O)CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879582065 590822050 /nfs/dbraw/zinc/82/20/50/590822050.db2.gz PNKYQWORZQXYJO-QJPTWQEYSA-N 2 0 212.337 0.783 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000882491907 591371508 /nfs/dbraw/zinc/37/15/08/591371508.db2.gz LKZNDILUZMLJJC-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)[NH+](C)C ZINC000882496142 591377165 /nfs/dbraw/zinc/37/71/65/591377165.db2.gz PEBNNXYYJBTJBJ-VHSXEESVSA-N 2 0 213.325 0.147 20 0 BCADRP C[NH+](C)CC(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882504427 591380623 /nfs/dbraw/zinc/38/06/23/591380623.db2.gz WLUCXPOWAFLOGV-UHFFFAOYSA-N 2 0 239.363 0.635 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000129768391 591402018 /nfs/dbraw/zinc/40/20/18/591402018.db2.gz WFPJUVHCMJNPHN-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP [NH3+][C@H](CC(=O)NC1CCC([NH3+])CC1)C1CC1 ZINC000129856193 591414462 /nfs/dbraw/zinc/41/44/62/591414462.db2.gz YASAOGWQSCSQKW-VQXHTEKXSA-N 2 0 225.336 0.500 20 0 BCADRP COC[C@@H]([NH2+]CCC[NH+](C)C)[C@H]1CCCOC1 ZINC000883164786 591558321 /nfs/dbraw/zinc/55/83/21/591558321.db2.gz ODCAMPAVUNWRSS-QWHCGFSZSA-N 2 0 244.379 0.969 20 0 BCADRP CCN1CC[C@@H]1C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000883354901 591625682 /nfs/dbraw/zinc/62/56/82/591625682.db2.gz DQHROURGEWQMBZ-UTUOFQBUSA-N 2 0 211.353 0.620 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883419080 591654319 /nfs/dbraw/zinc/65/43/19/591654319.db2.gz ZRCUYXJACLPYHK-DCAQKATOSA-N 2 0 217.332 0.649 20 0 BCADRP Cn1cncc1CC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000883416240 591652222 /nfs/dbraw/zinc/65/22/22/591652222.db2.gz PQONNBGJCQIQRH-LLVKDONJSA-N 2 0 222.336 0.633 20 0 BCADRP CN(C[C@@H]1C[C@H](F)C[NH2+]1)C1CC[NH2+]CC1 ZINC000883415615 591652178 /nfs/dbraw/zinc/65/21/78/591652178.db2.gz ANQWRNOGLMMJLR-UWVGGRQHSA-N 2 0 215.316 0.370 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883416084 591652499 /nfs/dbraw/zinc/65/24/99/591652499.db2.gz LPYYVWIXGAZJMN-FIQHERPVSA-N 2 0 229.343 0.888 20 0 BCADRP CCCN(C[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000883416811 591652761 /nfs/dbraw/zinc/65/27/61/591652761.db2.gz GCFCLKABAVTZDN-SDDRHHMPSA-N 2 0 229.343 0.760 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883417620 591653023 /nfs/dbraw/zinc/65/30/23/591653023.db2.gz HTFXSQOVPFIRCT-GARJFASQSA-N 2 0 215.316 0.370 20 0 BCADRP C[C@](C[NH3+])(NC[C@@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000883418335 591654204 /nfs/dbraw/zinc/65/42/04/591654204.db2.gz FALMBAODYXRTDH-GARJFASQSA-N 2 0 215.316 0.403 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000883429413 591659901 /nfs/dbraw/zinc/65/99/01/591659901.db2.gz UTLYYDGJNFYFCB-FIQHERPVSA-N 2 0 227.327 0.370 20 0 BCADRP CC[C@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CC[C@H]1[NH3+] ZINC000883426912 591660099 /nfs/dbraw/zinc/66/00/99/591660099.db2.gz CTRJKEUZAAUNGD-FIQHERPVSA-N 2 0 229.343 0.746 20 0 BCADRP FC(F)[C@H]1C[NH2+]CCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883428003 591660302 /nfs/dbraw/zinc/66/03/02/591660302.db2.gz IXVOHLBNPMAROG-XHNCKOQMSA-N 2 0 237.269 0.225 20 0 BCADRP FC(F)[C@@H]1C[NH2+]CCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883428002 591660645 /nfs/dbraw/zinc/66/06/45/591660645.db2.gz IXVOHLBNPMAROG-CIUDSAMLSA-N 2 0 237.269 0.225 20 0 BCADRP CC[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CC[C@@H]1[NH3+] ZINC000883426914 591660786 /nfs/dbraw/zinc/66/07/86/591660786.db2.gz CTRJKEUZAAUNGD-RHYQMDGZSA-N 2 0 229.343 0.746 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000883429731 591660943 /nfs/dbraw/zinc/66/09/43/591660943.db2.gz CNDOFHHXEOEILG-YFKTTZPYSA-N 2 0 227.327 0.513 20 0 BCADRP [NH3+][C@@]12CCC[C@@H]1CN(C[C@@H]1C[C@H](F)C[NH2+]1)C2 ZINC000883436900 591666318 /nfs/dbraw/zinc/66/63/18/591666318.db2.gz DZIKBZHOEMFBSZ-NOOOWODRSA-N 2 0 227.327 0.500 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883438013 591666948 /nfs/dbraw/zinc/66/69/48/591666948.db2.gz HZGZNWBIAGRXNR-RGOKHQFPSA-N 2 0 201.289 0.108 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C[C@@H]3C[C@H](F)C[NH2+]3)CC[C@@H]21 ZINC000883438805 591667087 /nfs/dbraw/zinc/66/70/87/591667087.db2.gz CQDNSCUFRZWECS-VOAKCMCISA-N 2 0 241.354 0.712 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000883440694 591668364 /nfs/dbraw/zinc/66/83/64/591668364.db2.gz WWXHDIWVTMBTJJ-VOAKCMCISA-N 2 0 241.354 0.760 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883441094 591668606 /nfs/dbraw/zinc/66/86/06/591668606.db2.gz HDMHIETTZDRYLX-RVMXOQNASA-N 2 0 241.354 0.855 20 0 BCADRP C[C@@H]1CN(CCC[NH3+])CCN1c1cc[nH+]cc1 ZINC000883447708 591670336 /nfs/dbraw/zinc/67/03/36/591670336.db2.gz JKDYIOQYCAKJNO-GFCCVEGCSA-N 2 0 234.347 0.941 20 0 BCADRP C[NH2+]CCC[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000883448705 591670547 /nfs/dbraw/zinc/67/05/47/591670547.db2.gz OBTHEHDRAYACSB-TXEJJXNPSA-N 2 0 225.336 0.006 20 0 BCADRP C[C@@H]1CN(CC[NH3+])CCN1c1cc[nH+]cc1 ZINC000883447485 591670714 /nfs/dbraw/zinc/67/07/14/591670714.db2.gz CWBQCJBRTRGRQO-LLVKDONJSA-N 2 0 220.320 0.551 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000884005553 591793990 /nfs/dbraw/zinc/79/39/90/591793990.db2.gz LULBNUMJUCEKMU-JTQLQIEISA-N 2 0 225.336 0.100 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000884009544 591796546 /nfs/dbraw/zinc/79/65/46/591796546.db2.gz YYEDIVNWJLKIEF-VHSXEESVSA-N 2 0 225.336 0.052 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884011586 591797733 /nfs/dbraw/zinc/79/77/33/591797733.db2.gz JHVUGLNIGAIFOE-NSHDSACASA-N 2 0 225.336 0.311 20 0 BCADRP C[NH2+]CCCNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884013090 591798498 /nfs/dbraw/zinc/79/84/98/591798498.db2.gz BVUSWYMUQYRJAJ-JTQLQIEISA-N 2 0 229.368 0.722 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884013735 591798519 /nfs/dbraw/zinc/79/85/19/591798519.db2.gz QVZSVFRNYUOALN-ZMLRMANQSA-N 2 0 239.363 0.842 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000884017514 591800613 /nfs/dbraw/zinc/80/06/13/591800613.db2.gz YVKSORWEYWBRAW-WDEREUQCSA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000884021063 591802377 /nfs/dbraw/zinc/80/23/77/591802377.db2.gz QYDVXMBQDIEXLM-MNOVXSKESA-N 2 0 241.379 0.803 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000884021064 591802512 /nfs/dbraw/zinc/80/25/12/591802512.db2.gz QYDVXMBQDIEXLM-QWRGUYRKSA-N 2 0 241.379 0.803 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC[C@H](C)[NH3+] ZINC000884022476 591802983 /nfs/dbraw/zinc/80/29/83/591802983.db2.gz IXMAKJHUKSZDMG-UWVGGRQHSA-N 2 0 215.341 0.474 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH2+]C1CC1 ZINC000884024624 591804661 /nfs/dbraw/zinc/80/46/61/591804661.db2.gz WZWNSAVECCSDMJ-NSHDSACASA-N 2 0 227.352 0.489 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000884024699 591804940 /nfs/dbraw/zinc/80/49/40/591804940.db2.gz ZISPEFCHFJXZQM-UWVGGRQHSA-N 2 0 225.336 0.100 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884026021 591807307 /nfs/dbraw/zinc/80/73/07/591807307.db2.gz PZOUXEXQSKYSPQ-NSHDSACASA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000884027728 591811420 /nfs/dbraw/zinc/81/14/20/591811420.db2.gz LOLQXSYJUGGGSM-MNOVXSKESA-N 2 0 239.363 0.300 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000884027727 591811588 /nfs/dbraw/zinc/81/15/88/591811588.db2.gz LOLQXSYJUGGGSM-GHMZBOCLSA-N 2 0 239.363 0.300 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000884028890 591813145 /nfs/dbraw/zinc/81/31/45/591813145.db2.gz VIYZJZZPHROOIM-QWRGUYRKSA-N 2 0 227.352 0.441 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884029840 591813571 /nfs/dbraw/zinc/81/35/71/591813571.db2.gz YPQRUQZYKHNUEZ-NSHDSACASA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)[C@@H]1C[NH2+]CC1(C)C)C1CC1 ZINC000884030973 591814750 /nfs/dbraw/zinc/81/47/50/591814750.db2.gz CGHQKTSWAKMNFI-GWCFXTLKSA-N 2 0 239.363 0.476 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC2CC2)[C@@H]1C[NH3+] ZINC000884034402 591816323 /nfs/dbraw/zinc/81/63/23/591816323.db2.gz DGUOMRYFKIJPLJ-ADEWGFFLSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884035204 591817734 /nfs/dbraw/zinc/81/77/34/591817734.db2.gz UPXYPAZWWJSJGN-WCQYABFASA-N 2 0 241.379 0.994 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC(C)C)[NH2+]C ZINC000884040433 591822159 /nfs/dbraw/zinc/82/21/59/591822159.db2.gz TTYDFECXJJTGIJ-RYUDHWBXSA-N 2 0 241.379 0.831 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884039703 591822506 /nfs/dbraw/zinc/82/25/06/591822506.db2.gz XAUOUSKJSCKMEU-JTQLQIEISA-N 2 0 227.352 0.748 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884040815 591822948 /nfs/dbraw/zinc/82/29/48/591822948.db2.gz DYYCDTFBHLVOIN-JTQLQIEISA-N 2 0 227.352 0.557 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884040521 591823489 /nfs/dbraw/zinc/82/34/89/591823489.db2.gz VZZZTMRJJSZLCE-WDEREUQCSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CC1CC1)C1CC1 ZINC000884196529 591872110 /nfs/dbraw/zinc/87/21/10/591872110.db2.gz UFLOSEOEGOAUMM-NEPJUHHUSA-N 2 0 239.363 0.570 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000884241864 591879420 /nfs/dbraw/zinc/87/94/20/591879420.db2.gz DMFDHHFXDLKWJO-VHSXEESVSA-N 2 0 225.336 0.086 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884347674 591909132 /nfs/dbraw/zinc/90/91/32/591909132.db2.gz BFICRJWXXAFHOK-YIZRAAEISA-N 2 0 213.325 0.084 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884243356 591881140 /nfs/dbraw/zinc/88/11/40/591881140.db2.gz DQBDZXFPBOFBOU-DTWKUNHWSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884245534 591881631 /nfs/dbraw/zinc/88/16/31/591881631.db2.gz XNXHIFOTJYZLNF-LSJOCFKGSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC2(C)C)[C@H](C)C[NH2+]1 ZINC000884245123 591882280 /nfs/dbraw/zinc/88/22/80/591882280.db2.gz QHVQAMNTYOVZEB-GMTAPVOTSA-N 2 0 239.363 0.441 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC2(C)C)[C@@H](C)C[NH2+]1 ZINC000884245126 591882311 /nfs/dbraw/zinc/88/23/11/591882311.db2.gz QHVQAMNTYOVZEB-VWYCJHECSA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@H](C)CC[NH3+] ZINC000884245429 591882350 /nfs/dbraw/zinc/88/23/50/591882350.db2.gz VXCJOOJWIJLCEW-NXEZZACHSA-N 2 0 229.368 0.849 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000884253579 591884828 /nfs/dbraw/zinc/88/48/28/591884828.db2.gz NWNIHVJAVXKCIF-NSHDSACASA-N 2 0 237.347 0.268 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884254360 591884939 /nfs/dbraw/zinc/88/49/39/591884939.db2.gz JWZVRBKQGDHIQX-DVVUODLYSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884254361 591885621 /nfs/dbraw/zinc/88/56/21/591885621.db2.gz JWZVRBKQGDHIQX-FBIMIBRVSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000884267380 591888646 /nfs/dbraw/zinc/88/86/46/591888646.db2.gz DTLAVHMVPGJWJK-VWYCJHECSA-N 2 0 225.336 0.500 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000884267858 591888807 /nfs/dbraw/zinc/88/88/07/591888807.db2.gz OWNSXODUNCBPSP-GMTAPVOTSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000884272634 591890147 /nfs/dbraw/zinc/89/01/47/591890147.db2.gz ZPVIZVCUBVYEOD-WOPDTQHZSA-N 2 0 241.379 0.829 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884277403 591892311 /nfs/dbraw/zinc/89/23/11/591892311.db2.gz NTOZMVJXAFPPGR-NWDGAFQWSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884279557 591892549 /nfs/dbraw/zinc/89/25/49/591892549.db2.gz OEABTESGRLJNHZ-CMPLNLGQSA-N 2 0 225.336 0.311 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884286288 591893894 /nfs/dbraw/zinc/89/38/94/591893894.db2.gz AVDDWQQEMAEFTQ-PKZYVASSSA-N 2 0 239.363 0.617 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884286287 591894026 /nfs/dbraw/zinc/89/40/26/591894026.db2.gz AVDDWQQEMAEFTQ-LSKIRQOJSA-N 2 0 239.363 0.617 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884282425 591894053 /nfs/dbraw/zinc/89/40/53/591894053.db2.gz HNRXMGQCCOMLGW-GARJFASQSA-N 2 0 243.326 0.272 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C)CCC[NH3+] ZINC000884294434 591895669 /nfs/dbraw/zinc/89/56/69/591895669.db2.gz AYSISDVNYRIDHH-MNOVXSKESA-N 2 0 229.368 0.864 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884295337 591895770 /nfs/dbraw/zinc/89/57/70/591895770.db2.gz VHMPEEDTGISZLS-UWVGGRQHSA-N 2 0 227.352 0.476 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000884292695 591895897 /nfs/dbraw/zinc/89/58/97/591895897.db2.gz IYEOYKALDJFKKV-LPEHRKFASA-N 2 0 243.326 0.048 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884292233 591896100 /nfs/dbraw/zinc/89/61/00/591896100.db2.gz UCBIERMLFRFETM-ONGXEEELSA-N 2 0 227.352 0.748 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000884296938 591896768 /nfs/dbraw/zinc/89/67/68/591896768.db2.gz HZESCVDWOGGRIY-YUMQZZPRSA-N 2 0 249.305 0.331 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884296970 591897176 /nfs/dbraw/zinc/89/71/76/591897176.db2.gz IVKDXXDDPFWRLQ-BDAKNGLRSA-N 2 0 213.325 0.086 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884296973 591897369 /nfs/dbraw/zinc/89/73/69/591897369.db2.gz IVKDXXDDPFWRLQ-RKDXNWHRSA-N 2 0 213.325 0.086 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N(C)C1CC([NH3+])C1 ZINC000884298075 591897881 /nfs/dbraw/zinc/89/78/81/591897881.db2.gz GGVPQVJHEFOJHC-ILDUYXDCSA-N 2 0 227.352 0.569 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N(C)CC[NH3+] ZINC000884342275 591907345 /nfs/dbraw/zinc/90/73/45/591907345.db2.gz WMWZJJKDIOQJOI-VIFPVBQESA-N 2 0 201.314 0.038 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884347758 591908568 /nfs/dbraw/zinc/90/85/68/591908568.db2.gz DZKRTTBCTHDQJH-XHNCKOQMSA-N 2 0 245.392 0.309 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884347937 591908592 /nfs/dbraw/zinc/90/85/92/591908592.db2.gz KGYPPKOXSCMKPJ-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CC1([NH3+])CCC1 ZINC000884347923 591908722 /nfs/dbraw/zinc/90/87/22/591908722.db2.gz JWBMRCJZWHOHMA-BDAKNGLRSA-N 2 0 225.336 0.500 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000884344645 591908910 /nfs/dbraw/zinc/90/89/10/591908910.db2.gz LZZMIVRCWLUKKC-WCQYABFASA-N 2 0 237.347 0.468 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC(C)(C)CC[NH3+] ZINC000884346919 591909154 /nfs/dbraw/zinc/90/91/54/591909154.db2.gz DWYPRJATXCYYMQ-JTQLQIEISA-N 2 0 229.368 0.864 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000884348452 591909588 /nfs/dbraw/zinc/90/95/88/591909588.db2.gz ZNZUSCKVAQFCJE-UTUOFQBUSA-N 2 0 247.342 0.928 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884348411 591909765 /nfs/dbraw/zinc/90/97/65/591909765.db2.gz YJEXOFHKGFWFQM-SBMIAAHKSA-N 2 0 227.352 0.746 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000884348081 591909938 /nfs/dbraw/zinc/90/99/38/591909938.db2.gz NSOGEQMIICIYBJ-AEJSXWLSSA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884348289 591910118 /nfs/dbraw/zinc/91/01/18/591910118.db2.gz TZHFHYYCHKUXES-DJLDLDEBSA-N 2 0 227.352 0.602 20 0 BCADRP CC1(C)[C@H](NC(=O)C2([NH3+])CCCC2)C[C@@H]1[NH3+] ZINC000884348233 591910182 /nfs/dbraw/zinc/91/01/82/591910182.db2.gz RLSVFWRHQWYXEF-DTWKUNHWSA-N 2 0 225.336 0.500 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CCCCC[NH3+] ZINC000884358596 591910717 /nfs/dbraw/zinc/91/07/17/591910717.db2.gz TYMAYIIHZNBVMQ-UWVGGRQHSA-N 2 0 227.352 0.748 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]([NH3+])CC(F)F ZINC000884357919 591912484 /nfs/dbraw/zinc/91/24/84/591912484.db2.gz IMIPCDRUWXDAMW-RRKCRQDMSA-N 2 0 235.278 0.211 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000884358099 591912665 /nfs/dbraw/zinc/91/26/65/591912665.db2.gz LHADDFOBELLTNK-MPXOCVNLSA-N 2 0 237.347 0.228 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000884357792 591912796 /nfs/dbraw/zinc/91/27/96/591912796.db2.gz FPQNOXIFIYVXDU-NRUUGDAUSA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)CCC[NH2+]1 ZINC000884358421 591912853 /nfs/dbraw/zinc/91/28/53/591912853.db2.gz QIGJTNZGVYGFAF-GBIKHYSHSA-N 2 0 239.363 0.761 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1coc(C[NH3+])c1 ZINC000884357963 591912913 /nfs/dbraw/zinc/91/29/13/591912913.db2.gz JHEJWWHDGLLAQL-NXEZZACHSA-N 2 0 237.303 0.594 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000884358324 591912953 /nfs/dbraw/zinc/91/29/53/591912953.db2.gz OTTZHTLCUAATMF-GUBZILKMSA-N 2 0 225.336 0.228 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CCCC[NH3+] ZINC000884357717 591913086 /nfs/dbraw/zinc/91/30/86/591913086.db2.gz DFTHKCJKUKAVAI-IUCAKERBSA-N 2 0 213.325 0.357 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000884358172 591913157 /nfs/dbraw/zinc/91/31/57/591913157.db2.gz LUWXVBUFYITKQF-UTLUCORTSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884358138 591913162 /nfs/dbraw/zinc/91/31/62/591913162.db2.gz LOHMGMJMYFGAKA-QEYWKRMJSA-N 2 0 225.336 0.226 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884359993 591913925 /nfs/dbraw/zinc/91/39/25/591913925.db2.gz SAQSACKCLRDYRL-MMWGEVLESA-N 2 0 239.363 0.617 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884360348 591914878 /nfs/dbraw/zinc/91/48/78/591914878.db2.gz YUPUPUWDNBKFSD-UTLUCORTSA-N 2 0 227.352 0.617 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000884361431 591914898 /nfs/dbraw/zinc/91/48/98/591914898.db2.gz SHKJQTKVSLFLNA-BBBLOLIVSA-N 2 0 225.336 0.356 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000884361559 591914996 /nfs/dbraw/zinc/91/49/96/591914996.db2.gz VAMREUZYMQIANA-YTWAJWBKSA-N 2 0 239.363 0.617 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000884363081 591915582 /nfs/dbraw/zinc/91/55/82/591915582.db2.gz XCUVIPBKGCQASJ-RGOKHQFPSA-N 2 0 225.336 0.356 20 0 BCADRP CC1(C)[C@H](NC(=O)CCC2C[NH2+]C2)C[C@@H]1[NH3+] ZINC000884365151 591915841 /nfs/dbraw/zinc/91/58/41/591915841.db2.gz DYAJPDYYLGSTQP-VHSXEESVSA-N 2 0 225.336 0.228 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CC1([NH3+])CC1 ZINC000884363076 591915864 /nfs/dbraw/zinc/91/58/64/591915864.db2.gz XBMFBOYWFFXMIG-HTQZYQBOSA-N 2 0 211.309 0.110 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000884363082 591915935 /nfs/dbraw/zinc/91/59/35/591915935.db2.gz XCUVIPBKGCQASJ-UTINFBMNSA-N 2 0 225.336 0.356 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884363805 591916702 /nfs/dbraw/zinc/91/67/02/591916702.db2.gz JAPUJWFNDNPXNT-GARJFASQSA-N 2 0 241.379 0.992 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884365644 591917281 /nfs/dbraw/zinc/91/72/81/591917281.db2.gz MEZJHRBVXZBFPN-RGOKHQFPSA-N 2 0 239.363 0.602 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000884365959 591917619 /nfs/dbraw/zinc/91/76/19/591917619.db2.gz RAUJXOMDBDRJQJ-ZNSHCXBVSA-N 2 0 239.363 0.746 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCCCCCC[NH3+] ZINC000884375360 591920167 /nfs/dbraw/zinc/92/01/67/591920167.db2.gz WNOVBYQRPYTCHD-NSHDSACASA-N 2 0 241.379 0.867 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000884438086 591933935 /nfs/dbraw/zinc/93/39/35/591933935.db2.gz UJUPRKHDFRDLBP-UTUOFQBUSA-N 2 0 241.379 0.877 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)C[NH2+]1 ZINC000884437297 591934639 /nfs/dbraw/zinc/93/46/39/591934639.db2.gz CLCOPJFQRYLSPL-OUAUKWLOSA-N 2 0 239.363 0.489 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000884444459 591936567 /nfs/dbraw/zinc/93/65/67/591936567.db2.gz KVOIEZJBPATDQO-ZJUUUORDSA-N 2 0 215.341 0.426 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000884445144 591936818 /nfs/dbraw/zinc/93/68/18/591936818.db2.gz GFBUQSYANPIIFD-HBNTYKKESA-N 2 0 241.379 0.863 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884459263 591941041 /nfs/dbraw/zinc/94/10/41/591941041.db2.gz ZPSZMCMYILXILH-UTLUCORTSA-N 2 0 225.336 0.180 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000884469908 591943887 /nfs/dbraw/zinc/94/38/87/591943887.db2.gz ZOWUPHPSUHGMHP-AEJSXWLSSA-N 2 0 225.336 0.086 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000884469696 591944039 /nfs/dbraw/zinc/94/40/39/591944039.db2.gz SFXJKBJCXVCJDO-DCAQKATOSA-N 2 0 241.379 0.849 20 0 BCADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCCSC1 ZINC000134816100 591951739 /nfs/dbraw/zinc/95/17/39/591951739.db2.gz PFLSFZJEYDWGAS-GHMZBOCLSA-N 2 0 232.393 0.784 20 0 BCADRP C([C@H]1C[C@@]12CCOC2)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000885961394 592115436 /nfs/dbraw/zinc/11/54/36/592115436.db2.gz XBFJAIXCPDUXNU-YVECIDJPSA-N 2 0 222.332 0.564 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000137385166 592175942 /nfs/dbraw/zinc/17/59/42/592175942.db2.gz OTXNONUERWIUFJ-ZYHUDNBSSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H](CNC(=O)C[C@H]([NH3+])C1CC1)[NH+]1CCCC1 ZINC000137446811 592183862 /nfs/dbraw/zinc/18/38/62/592183862.db2.gz DUKYHPBQSMCKEU-JQWIXIFHSA-N 2 0 239.363 0.714 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)CC1(C)C ZINC000886251378 592186402 /nfs/dbraw/zinc/18/64/02/592186402.db2.gz BKHXVXANWCMNKY-YFKTTZPYSA-N 2 0 242.363 0.333 20 0 BCADRP C(C[NH+]1C[C@@H]2C[C@@H]2C1)OCC[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344595 592213036 /nfs/dbraw/zinc/21/30/36/592213036.db2.gz HZIPANJYHISHPC-KPWCQOOUSA-N 2 0 236.359 0.906 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H]([NH3+])CCOC ZINC000220014324 592273018 /nfs/dbraw/zinc/27/30/18/592273018.db2.gz ISUJIPAJTDJGDS-NSHDSACASA-N 2 0 245.367 0.198 20 0 BCADRP COC(=O)[C@H](C)C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000220366062 592309333 /nfs/dbraw/zinc/30/93/33/592309333.db2.gz BWVILGDTDLKLMI-GHMZBOCLSA-N 2 0 228.336 0.727 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1C[C@]12CCOC2 ZINC000886841380 592363041 /nfs/dbraw/zinc/36/30/41/592363041.db2.gz JNKWDWIGOHQTJC-OLZOCXBDSA-N 2 0 242.363 0.581 20 0 BCADRP CCN(CC[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000886848718 592364568 /nfs/dbraw/zinc/36/45/68/592364568.db2.gz LWFATGJFILGCGH-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP CCN(C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CC[NH2+]C1 ZINC000886847061 592364932 /nfs/dbraw/zinc/36/49/32/592364932.db2.gz YACVRGAIPNPYKB-VXGBXAGGSA-N 2 0 239.363 0.191 20 0 BCADRP CCN(CC[C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000886848720 592365542 /nfs/dbraw/zinc/36/55/42/592365542.db2.gz LWFATGJFILGCGH-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP CC(C)([NH2+]C[C@@H]1CC[NH2+]C1)C(=O)N1CCCC1 ZINC000886858293 592370410 /nfs/dbraw/zinc/37/04/10/592370410.db2.gz VHCKNBNSIKFLFN-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886860113 592372270 /nfs/dbraw/zinc/37/22/70/592372270.db2.gz RTTLMQNGHHJOBX-NEPJUHHUSA-N 2 0 228.336 0.463 20 0 BCADRP [NH2+]=C(NCC[NH+]1CCCCC1)NCC1CC1 ZINC000887347061 592484665 /nfs/dbraw/zinc/48/46/65/592484665.db2.gz DNQKJKATVXOJMY-UHFFFAOYSA-N 2 0 224.352 0.996 20 0 BCADRP [NH2+]=C(NCCNc1cc[nH+]cc1)NCC1CC1 ZINC000887351418 592485375 /nfs/dbraw/zinc/48/53/75/592485375.db2.gz OPCHXYYTJIHCIE-UHFFFAOYSA-N 2 0 233.319 0.439 20 0 BCADRP CC[N@H+](CCNC(=[NH2+])NCC1CC1)C1CC1 ZINC000887352707 592486551 /nfs/dbraw/zinc/48/65/51/592486551.db2.gz LGKGTRMFOJVBMG-UHFFFAOYSA-N 2 0 224.352 0.995 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000300360691 592508783 /nfs/dbraw/zinc/50/87/83/592508783.db2.gz YVSJVXKBBOTJBT-MNOVXSKESA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000300417510 592511895 /nfs/dbraw/zinc/51/18/95/592511895.db2.gz ATGYZQAOLIZDAZ-PWSUYJOCSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000300417509 592511908 /nfs/dbraw/zinc/51/19/08/592511908.db2.gz ATGYZQAOLIZDAZ-JQWIXIFHSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)[NH+](C)C ZINC000887923135 592559155 /nfs/dbraw/zinc/55/91/55/592559155.db2.gz ORTGDVJLPUDZOU-GMXVVIOVSA-N 2 0 239.363 0.347 20 0 BCADRP C[C@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)[NH+](C)C ZINC000887923136 592559203 /nfs/dbraw/zinc/55/92/03/592559203.db2.gz ORTGDVJLPUDZOU-NTZNESFSSA-N 2 0 239.363 0.347 20 0 BCADRP CC1(C)C[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)C[C@@H]([NH3+])C1 ZINC000925702354 634377629 /nfs/dbraw/zinc/37/76/29/634377629.db2.gz OCGBBFHRINNCLM-ZNSHCXBVSA-N 2 0 239.363 0.746 20 0 BCADRP C[C@@H]1NCCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000925703042 634380358 /nfs/dbraw/zinc/38/03/58/634380358.db2.gz SDHNZVGUKXKRAB-WDEREUQCSA-N 2 0 211.353 0.846 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925703507 634381105 /nfs/dbraw/zinc/38/11/05/634381105.db2.gz GNANMMYTHPAFAD-QUTCXQLSSA-N 2 0 235.375 0.842 20 0 BCADRP C(CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C[NH2+]C1CC1 ZINC000925703824 634381658 /nfs/dbraw/zinc/38/16/58/634381658.db2.gz FAWJBYSRTKUECC-SZZQBSIJSA-N 2 0 235.375 0.715 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925710641 634408256 /nfs/dbraw/zinc/40/82/56/634408256.db2.gz QIRYZHXNSYZHCR-OUAUKWLOSA-N 3 0 211.353 0.973 20 0 BCADRP C[C@@H]1CC[C@H](N[C@@H]2CC[NH2+]C2(C)C)C[NH2+]1 ZINC000925716342 634445567 /nfs/dbraw/zinc/44/55/67/634445567.db2.gz DDHSDGBJWFWODM-OUAUKWLOSA-N 2 0 211.353 0.857 20 0 BCADRP [NH3+][C@@H]1C[C@@H](NCC23CC(C2)C[NH2+]3)C12CCC2 ZINC000925717628 634455148 /nfs/dbraw/zinc/45/51/48/634455148.db2.gz VLFVXQBOODKLEH-BFUDSRACSA-N 2 0 221.348 0.598 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925717653 634454453 /nfs/dbraw/zinc/45/44/53/634454453.db2.gz CNOWFQXCZOZOGU-WDEREUQCSA-N 3 0 227.352 0.082 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000335448390 634470963 /nfs/dbraw/zinc/47/09/63/634470963.db2.gz PHGRNRZCXNBWCF-CYBMUJFWSA-N 3 0 223.364 0.814 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC[NH2+]C1 ZINC000335511042 634475256 /nfs/dbraw/zinc/47/52/56/634475256.db2.gz CEUQXIBKSUQPGM-OLZOCXBDSA-N 2 0 237.347 0.341 20 0 BCADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335517209 634481700 /nfs/dbraw/zinc/48/17/00/634481700.db2.gz YLDFENXKTVWMNC-CMPLNLGQSA-N 2 0 223.320 0.093 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335514288 634480636 /nfs/dbraw/zinc/48/06/36/634480636.db2.gz NFGQYBBRGFXVND-PWSUYJOCSA-N 2 0 225.336 0.196 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257740634 634488227 /nfs/dbraw/zinc/48/82/27/634488227.db2.gz YUWMSCPESTURFD-OLZOCXBDSA-N 2 0 223.364 0.671 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424031924 635153184 /nfs/dbraw/zinc/15/31/84/635153184.db2.gz UMLLOOKTGMSGHU-CYBMUJFWSA-N 2 0 239.363 0.683 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335640750 634504761 /nfs/dbraw/zinc/50/47/61/634504761.db2.gz SMPYTISUHHEYFQ-JQWIXIFHSA-N 2 0 225.336 0.468 20 0 BCADRP [NH3+]C1CC(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925727639 634525590 /nfs/dbraw/zinc/52/55/90/634525590.db2.gz AUGGSVRQKIQHNQ-TVUZUIDESA-N 3 0 209.337 0.583 20 0 BCADRP [NH3+]C1CC(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925727637 634525938 /nfs/dbraw/zinc/52/59/38/634525938.db2.gz AUGGSVRQKIQHNQ-JPPWEJMLSA-N 3 0 209.337 0.583 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NCc1cc(N)cc[nH+]1 ZINC000925767908 635185584 /nfs/dbraw/zinc/18/55/84/635185584.db2.gz RHOBQHHTWYWKHS-CABZTGNLSA-N 2 0 220.320 0.894 20 0 BCADRP C[N@@H+]1CC[C@H](c2nc([C@H]3CCC[NH2+]C3)no2)C1 ZINC000258098134 634565223 /nfs/dbraw/zinc/56/52/23/634565223.db2.gz RXEWJOVHDZXXNO-UWVGGRQHSA-N 2 0 236.319 0.956 20 0 BCADRP CC(C)([NH3+])CCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925736605 634588140 /nfs/dbraw/zinc/58/81/40/634588140.db2.gz HXIFDBFHQMPPSL-RNWYCLNJSA-N 2 0 223.364 0.700 20 0 BCADRP CC(C)C[NH+]1CCC(NC(=O)C2([NH3+])CC2)CC1 ZINC000236770756 634609640 /nfs/dbraw/zinc/60/96/40/634609640.db2.gz KKQOSJYQULNDQL-UHFFFAOYSA-N 2 0 239.363 0.714 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000228530620 635462875 /nfs/dbraw/zinc/46/28/75/635462875.db2.gz WGMDBGRMXGWKEA-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP CCO[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)C[NH+](C)C ZINC000925838761 635500728 /nfs/dbraw/zinc/50/07/28/635500728.db2.gz NVASNCJEOFBEJE-RWMBFGLXSA-N 2 0 243.395 0.541 20 0 BCADRP CCO[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)C[NH+](C)C ZINC000925838751 635501653 /nfs/dbraw/zinc/50/16/53/635501653.db2.gz NVASNCJEOFBEJE-FRRDWIJNSA-N 2 0 243.395 0.541 20 0 BCADRP C[C@H]([NH2+]CC[C@@H]1CNC(=O)C1)[C@H]1CCC[NH2+]1 ZINC000925840336 635504616 /nfs/dbraw/zinc/50/46/16/635504616.db2.gz VDXZKOASDBRJKD-GARJFASQSA-N 2 0 225.336 0.243 20 0 BCADRP CCCS(=O)(=O)CC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000233262725 635528335 /nfs/dbraw/zinc/52/83/35/635528335.db2.gz NYHBSZSGGWWRQX-LLVKDONJSA-N 2 0 248.392 0.482 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCc2nnn(C)c2C1 ZINC000925892886 635618607 /nfs/dbraw/zinc/61/86/07/635618607.db2.gz HFFGIBINYQCQLZ-IVZWLZJFSA-N 2 0 237.351 0.388 20 0 BCADRP C(CO[C@H]1CCOC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925873707 635592629 /nfs/dbraw/zinc/59/26/29/635592629.db2.gz CKIROEJWRNNTIE-HNGCFSAESA-N 2 0 240.347 0.665 20 0 BCADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000925881223 635608038 /nfs/dbraw/zinc/60/80/38/635608038.db2.gz ZVVKSAXOVDCTOX-KKOKHZNYSA-N 3 0 211.353 0.701 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891449723 631344772 /nfs/dbraw/zinc/34/47/72/631344772.db2.gz BTXOBVJSGSYCTD-VWYCJHECSA-N 2 0 240.351 0.082 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNc1cc[nH+]cc1CO ZINC000891458847 631369241 /nfs/dbraw/zinc/36/92/41/631369241.db2.gz GBMDTTVZWAETBG-GFCCVEGCSA-N 2 0 235.331 0.892 20 0 BCADRP C[NH+]1CCC(C[NH2+]C[C@H](O)C(F)(F)F)CC1 ZINC000082681028 631409321 /nfs/dbraw/zinc/40/93/21/631409321.db2.gz ZMGRFIQQTQSTBX-VIFPVBQESA-N 2 0 240.269 0.841 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCCCCO ZINC000308578648 631433830 /nfs/dbraw/zinc/43/38/30/631433830.db2.gz FPBWHXYRSLERAG-QWRGUYRKSA-N 2 0 200.326 0.961 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891962950 631642027 /nfs/dbraw/zinc/64/20/27/631642027.db2.gz UUOKBEJTZGCYTD-CMPLNLGQSA-N 2 0 240.351 0.180 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCC[NH2+]C1CC1 ZINC000891967801 631652298 /nfs/dbraw/zinc/65/22/98/631652298.db2.gz AVKCVJORSOALAC-ZJUUUORDSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000892089154 631726281 /nfs/dbraw/zinc/72/62/81/631726281.db2.gz PHRWFOHPVHVYPY-VPOLOUISSA-N 2 0 240.351 0.387 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000892171002 631752777 /nfs/dbraw/zinc/75/27/77/631752777.db2.gz UWTGUEUBNWPPRO-ZNSHCXBVSA-N 2 0 240.351 0.245 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCC(C)(C)[NH3+] ZINC000892198888 631777990 /nfs/dbraw/zinc/77/79/90/631777990.db2.gz QJUJXEMVJICEMX-BDAKNGLRSA-N 2 0 230.356 0.539 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000892199293 631780048 /nfs/dbraw/zinc/78/00/48/631780048.db2.gz LWGOCPNJHOIXFA-GMTAPVOTSA-N 2 0 242.367 0.635 20 0 BCADRP CC[NH2+]CC(=O)NCC[NH+]1CCCCC1 ZINC000044651598 631818884 /nfs/dbraw/zinc/81/88/84/631818884.db2.gz DTYVUMRMKAMXFX-UHFFFAOYSA-N 2 0 213.325 0.198 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158216309 631836316 /nfs/dbraw/zinc/83/63/16/631836316.db2.gz LLMDNMKGCBRFNT-DTWKUNHWSA-N 2 0 213.325 0.310 20 0 BCADRP Cn1cc(C[NH2+]C2CCC([NH3+])CC2)cn1 ZINC000051692714 631868815 /nfs/dbraw/zinc/86/88/15/631868815.db2.gz KQRJAOLYTJROFM-UHFFFAOYSA-N 2 0 208.309 0.780 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CCSC[C@@H]2CO)CC1 ZINC000309317970 631990609 /nfs/dbraw/zinc/99/06/09/631990609.db2.gz OJECFUZGHNWKOV-LBPRGKRZSA-N 2 0 244.404 0.738 20 0 BCADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)NC ZINC000051919197 632012260 /nfs/dbraw/zinc/01/22/60/632012260.db2.gz MHGWBHNUEMSONU-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)NC1CC1 ZINC000051919354 632012727 /nfs/dbraw/zinc/01/27/27/632012727.db2.gz FWEJMTNQFMLRTG-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001022977055 632092930 /nfs/dbraw/zinc/09/29/30/632092930.db2.gz STANTNKPTYXGFE-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023089713 632129162 /nfs/dbraw/zinc/12/91/62/632129162.db2.gz ANBXFAUJJKIMKZ-PHIMTYICSA-N 2 0 225.336 0.339 20 0 BCADRP Cn1cc(CC[NH+]2CCC([NH3+])CC2)cn1 ZINC000226416261 632404793 /nfs/dbraw/zinc/40/47/93/632404793.db2.gz NACMAXZUXCAJGY-UHFFFAOYSA-N 2 0 208.309 0.386 20 0 BCADRP [NH3+]CCCCCC(=O)NCC1([NH3+])CCC1 ZINC000309538426 632476440 /nfs/dbraw/zinc/47/64/40/632476440.db2.gz FSUPFJDGQDWMHK-UHFFFAOYSA-N 2 0 213.325 0.503 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]([NH3+])CCOC ZINC000052810347 632497287 /nfs/dbraw/zinc/49/72/87/632497287.db2.gz SPIMLRHMGHQIPD-QWRGUYRKSA-N 2 0 245.367 0.197 20 0 BCADRP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H](O)CC1CCCC1 ZINC000309736465 632662365 /nfs/dbraw/zinc/66/23/65/632662365.db2.gz GPWPGOGILGOUQK-RYUDHWBXSA-N 2 0 230.352 0.179 20 0 BCADRP CCC[NH+]1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000309174013 632662749 /nfs/dbraw/zinc/66/27/49/632662749.db2.gz BIMHGOARUHVUHD-JTQLQIEISA-N 2 0 235.322 0.997 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000310276668 632713274 /nfs/dbraw/zinc/71/32/74/632713274.db2.gz OPLVBPYJYDAUGS-STQMWFEESA-N 2 0 241.379 0.114 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000191987785 632725912 /nfs/dbraw/zinc/72/59/12/632725912.db2.gz HYVGQWJUPXKUFF-HBNTYKKESA-N 2 0 229.368 0.802 20 0 BCADRP Cn1ncc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000310554227 632755392 /nfs/dbraw/zinc/75/53/92/632755392.db2.gz HKJRLERQLJIFLW-PHIMTYICSA-N 2 0 235.335 0.247 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](CO)CCF ZINC000926655337 632777721 /nfs/dbraw/zinc/77/77/21/632777721.db2.gz MDKLOYHBASBLSP-PSIUFMSWSA-N 2 0 230.327 0.637 20 0 BCADRP CNC(=[NH2+])NCCC[N@@H+]1CCCC[C@@H]1C ZINC000052019464 632779265 /nfs/dbraw/zinc/77/92/65/632779265.db2.gz MPKDQDMIKPMFGC-JTQLQIEISA-N 2 0 212.341 0.995 20 0 BCADRP CCCNC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000052044949 632781857 /nfs/dbraw/zinc/78/18/57/632781857.db2.gz OTQIBJYVZMSJEY-UHFFFAOYSA-N 2 0 200.330 0.851 20 0 BCADRP C[C@@H]1CN(C(=O)CCCCC[NH3+])C[C@@H](C)[NH2+]1 ZINC000154146948 632828001 /nfs/dbraw/zinc/82/80/01/632828001.db2.gz KVJSKSRAZAMBRW-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C=CCNC(=[NH2+])NC[C@@H](C)[NH+]1CCCC1 ZINC000066245305 632862101 /nfs/dbraw/zinc/86/21/01/632862101.db2.gz ALBXKFUFFUNPGE-SNVBAGLBSA-N 2 0 210.325 0.561 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)CCCCC[NH3+] ZINC000309362105 632972153 /nfs/dbraw/zinc/97/21/53/632972153.db2.gz AOOKPSSCICSZQB-SNVBAGLBSA-N 2 0 215.341 0.620 20 0 BCADRP Cc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)nc(N)[nH+]1 ZINC000310776522 632985335 /nfs/dbraw/zinc/98/53/35/632985335.db2.gz AQUMTPPIBJMVPI-ZDUSSCGKSA-N 2 0 247.346 0.899 20 0 BCADRP NC(=O)C1CC[NH+](C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000309392067 633007557 /nfs/dbraw/zinc/00/75/57/633007557.db2.gz HUVBPRWZUZOFQN-GXSJLCMTSA-N 2 0 225.336 0.311 20 0 BCADRP C[NH+]1CCC(C[NH2+]CC2(O)CCOCC2)CC1 ZINC000162278742 633026171 /nfs/dbraw/zinc/02/61/71/633026171.db2.gz CHGFTMXISQXCDZ-UHFFFAOYSA-N 2 0 242.363 0.459 20 0 BCADRP C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CCN(C)C1 ZINC000166111948 633106968 /nfs/dbraw/zinc/10/69/68/633106968.db2.gz BZDGCWKDRHNOEM-IJLUTSLNSA-N 2 0 227.352 0.047 20 0 BCADRP CCNC(=O)C[N@H+](CC)CCCCCC[NH3+] ZINC000309468046 633110353 /nfs/dbraw/zinc/11/03/53/633110353.db2.gz SYAFEDOUGCGLFF-UHFFFAOYSA-N 2 0 229.368 0.964 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000062891181 633134916 /nfs/dbraw/zinc/13/49/16/633134916.db2.gz AXJCEDQNJPUVOR-CYBMUJFWSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC000928429996 635912935 /nfs/dbraw/zinc/91/29/35/635912935.db2.gz FAWKZRDLHGACPA-CMPLNLGQSA-N 2 0 239.363 0.680 20 0 BCADRP CC[N@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@H]1C)C1CC1 ZINC000928432220 635917012 /nfs/dbraw/zinc/91/70/12/635917012.db2.gz CNWHDPLHVZUMJC-CMPLNLGQSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H](C[NH3+])NC(=O)c1cccc(C[NH3+])c1 ZINC000309554397 633198576 /nfs/dbraw/zinc/19/85/76/633198576.db2.gz LTYWZDWHDCDMPD-MRVPVSSYSA-N 2 0 207.277 0.222 20 0 BCADRP C[C@H]1C[N@H+](CC(=O)N2CCCC2)CC[C@@H]1C[NH3+] ZINC000122313414 633214557 /nfs/dbraw/zinc/21/45/57/633214557.db2.gz YBXYSARATSPUSO-NWDGAFQWSA-N 2 0 239.363 0.526 20 0 BCADRP C[C@@H]1[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000928440028 635937278 /nfs/dbraw/zinc/93/72/78/635937278.db2.gz ZAHAJDMUYVZXPK-OUAUKWLOSA-N 2 0 225.336 0.147 20 0 BCADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2COCO2)CC1(C)C ZINC000894891063 635999609 /nfs/dbraw/zinc/99/96/09/635999609.db2.gz XWBBJIXOWATRQS-GHMZBOCLSA-N 2 0 228.336 0.822 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334270517 636037649 /nfs/dbraw/zinc/03/76/49/636037649.db2.gz FNUMYFWBHUBKCV-CMPLNLGQSA-N 2 0 225.336 0.183 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237240147 636079533 /nfs/dbraw/zinc/07/95/33/636079533.db2.gz NIEOQMZMVQIPTP-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP COCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328407771 633762325 /nfs/dbraw/zinc/76/23/25/633762325.db2.gz FVJRTUJTEOCBIN-OBPIAQAESA-N 2 0 224.348 0.999 20 0 BCADRP C[C@H](CCCO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328543077 633770576 /nfs/dbraw/zinc/77/05/76/633770576.db2.gz JZCREEJNCAWGKN-HDLKOFKZSA-N 2 0 224.348 0.733 20 0 BCADRP CC[C@](C)(O)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328491028 633772960 /nfs/dbraw/zinc/77/29/60/633772960.db2.gz NWXVKBPGDUWVTD-PJGZEUCASA-N 2 0 224.348 0.733 20 0 BCADRP CC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)COC1 ZINC000328554236 633776057 /nfs/dbraw/zinc/77/60/57/633776057.db2.gz XLVWHSDOAJMQAT-KKJSVHSVSA-N 2 0 222.332 0.609 20 0 BCADRP C[N@H+](CCC1SCCS1)C[C@H](O)C[NH3+] ZINC000853023263 633795203 /nfs/dbraw/zinc/79/52/03/633795203.db2.gz RAGITOXBWNYKBX-MRVPVSSYSA-N 2 0 236.406 0.434 20 0 BCADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)C12CCC2 ZINC000925574519 634071117 /nfs/dbraw/zinc/07/11/17/634071117.db2.gz BUCCCSXDWROMJY-WCQGTBRESA-N 2 0 249.358 0.609 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000236692102 634092756 /nfs/dbraw/zinc/09/27/56/634092756.db2.gz TXFKHYQAZRRMQC-WDEREUQCSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)C[C@H](C)[NH2+]1 ZINC000310279383 634104705 /nfs/dbraw/zinc/10/47/05/634104705.db2.gz PDSIQHWDPWMZHT-XQQFMLRXSA-N 2 0 241.379 0.125 20 0 BCADRP CNC(=O)CCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925599569 634125739 /nfs/dbraw/zinc/12/57/39/634125739.db2.gz BVANOEVNFWYSFI-VIFPVBQESA-N 2 0 213.325 0.243 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925610004 634146224 /nfs/dbraw/zinc/14/62/24/634146224.db2.gz CCWCOKJZIGOISG-DMDPSCGWSA-N 2 0 244.379 0.879 20 0 BCADRP CCC[N@@H+]1CC[C@@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925613440 634152008 /nfs/dbraw/zinc/15/20/08/634152008.db2.gz RBIXMVCCFWZBBQ-QWHCGFSZSA-N 2 0 241.379 0.296 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000925611776 634152046 /nfs/dbraw/zinc/15/20/46/634152046.db2.gz GGADRJYLUNNXJS-AVGNSLFASA-N 2 0 241.379 0.173 20 0 BCADRP Cn1ncc(CCC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000925677401 634269232 /nfs/dbraw/zinc/26/92/32/634269232.db2.gz PHDDCZRPJJHCIX-NEPJUHHUSA-N 2 0 249.362 0.607 20 0 BCADRP Cn1ncc(CCC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000925677402 634269699 /nfs/dbraw/zinc/26/96/99/634269699.db2.gz PHDDCZRPJJHCIX-NWDGAFQWSA-N 2 0 249.362 0.607 20 0 BCADRP Cn1ncc(CCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000925677404 634270500 /nfs/dbraw/zinc/27/05/00/634270500.db2.gz PHDDCZRPJJHCIX-VXGBXAGGSA-N 2 0 249.362 0.607 20 0 BCADRP C[N@H+](CCCC[NH2+][C@@H]1CNCCOC1)C1CC1 ZINC000925684023 634291603 /nfs/dbraw/zinc/29/16/03/634291603.db2.gz DANNYVANBPYFGB-GFCCVEGCSA-N 2 0 241.379 0.439 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925685138 634298815 /nfs/dbraw/zinc/29/88/15/634298815.db2.gz GMIMUFXLCGRTPU-FIQHERPVSA-N 2 0 242.363 0.896 20 0 BCADRP CC1(C)C[C@@H](N[C@@H]2CC[NH2+]C2)C[C@@H]([NH3+])C1 ZINC000925687772 634304692 /nfs/dbraw/zinc/30/46/92/634304692.db2.gz AZVIPZCSZBGMSG-MXWKQRLJSA-N 2 0 211.353 0.844 20 0 BCADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C12CCC2 ZINC000925690942 634315740 /nfs/dbraw/zinc/31/57/40/634315740.db2.gz IENNUTNNGKKLEM-UTUOFQBUSA-N 3 0 223.364 0.846 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C12CCC2 ZINC000925690937 634316260 /nfs/dbraw/zinc/31/62/60/634316260.db2.gz IENNUTNNGKKLEM-QJPTWQEYSA-N 3 0 223.364 0.846 20 0 BCADRP CC(C)[C@H]([NH3+])CN[C@H]1CC[NH2+]C12CCC2 ZINC000925693603 634330533 /nfs/dbraw/zinc/33/05/33/634330533.db2.gz PUFMXTJVEUTNLR-MNOVXSKESA-N 2 0 211.353 0.844 20 0 BCADRP [NH3+][C@H]1C[C@H](NCC[NH2+]C2CC2)C12CCC2 ZINC000925694273 634335364 /nfs/dbraw/zinc/33/53/64/634335364.db2.gz RPOLBBRGGCDYAF-QWRGUYRKSA-N 2 0 209.337 0.598 20 0 BCADRP C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@H]1CCCC[NH2+]1 ZINC000925695195 634340230 /nfs/dbraw/zinc/34/02/30/634340230.db2.gz UGQHABFQIYKKHY-GMDXDWKASA-N 2 0 235.375 0.715 20 0 BCADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925695198 634340545 /nfs/dbraw/zinc/34/05/45/634340545.db2.gz UHERTANBWWVNED-BBMNEWJDSA-N 3 0 235.375 0.572 20 0 BCADRP CC[NH2+]CCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925696230 634351660 /nfs/dbraw/zinc/35/16/60/634351660.db2.gz YKZIDMJXMACWKF-KKJSVHSVSA-N 2 0 209.337 0.182 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925696205 634351953 /nfs/dbraw/zinc/35/19/53/634351953.db2.gz YCFQDENEAHNUGM-NNYUYHANSA-N 2 0 223.364 0.973 20 0 BCADRP C[NH2+]CCCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925695935 634353239 /nfs/dbraw/zinc/35/32/39/634353239.db2.gz YVSJNPCNWGQQCO-KKJSVHSVSA-N 2 0 209.337 0.182 20 0 BCADRP CCO[C@@H]1COC[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925695501 634353324 /nfs/dbraw/zinc/35/33/24/634353324.db2.gz XIAIHCIYUQBYME-WISYIIOYSA-N 2 0 240.347 0.650 20 0 BCADRP C[C@@H](C[NH3+])CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925696973 634356868 /nfs/dbraw/zinc/35/68/68/634356868.db2.gz CJQRZBXWKBEWPM-USZNOCQGSA-N 2 0 225.380 0.947 20 0 BCADRP CC[NH2+][C@H](C)CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925697989 634363166 /nfs/dbraw/zinc/36/31/66/634363166.db2.gz BSEDZOKWZQWDAC-KQAFNVIJSA-N 2 0 223.364 0.570 20 0 BCADRP CCCC[C@@H](C[NH3+])N[C@@H]1C[NH2+]CCOC1 ZINC000925699648 634366547 /nfs/dbraw/zinc/36/65/47/634366547.db2.gz PDBXVIBVIOBUTQ-WDEREUQCSA-N 2 0 215.341 0.082 20 0 BCADRP [NH3+][C@H](CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC1 ZINC000925699394 634366871 /nfs/dbraw/zinc/36/68/71/634366871.db2.gz OJULJELJYSVBLE-NFXCPBFJSA-N 2 0 221.348 0.310 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@@H](NCC2C[NH2+]C2)C1 ZINC000925699348 634366915 /nfs/dbraw/zinc/36/69/15/634366915.db2.gz OHFZXIBLYHUVRW-WDEREUQCSA-N 2 0 211.353 0.701 20 0 BCADRP C[NH2+][C@H](C)CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925700733 634371975 /nfs/dbraw/zinc/37/19/75/634371975.db2.gz SBHOQGSOGUFIQL-ZNSALQAWSA-N 2 0 209.337 0.180 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925701411 634375070 /nfs/dbraw/zinc/37/50/70/634375070.db2.gz ZBAYHBVHJWPHFI-WGSKYGEUSA-N 2 0 235.375 0.713 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424030639 635153706 /nfs/dbraw/zinc/15/37/06/635153706.db2.gz RGYCXUQRRDVROR-MDZLAQPJSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)CNC(=O)C1CCN(CC[NH3+])CC1 ZINC000258871019 635217734 /nfs/dbraw/zinc/21/77/34/635217734.db2.gz ZQPCXKSOAFVCAO-UHFFFAOYSA-N 2 0 227.352 0.429 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)CCC[NH2+]C ZINC000236802873 635261864 /nfs/dbraw/zinc/26/18/64/635261864.db2.gz HLGAXIPOFJGYQN-JTQLQIEISA-N 2 0 215.341 0.620 20 0 BCADRP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCOC1 ZINC000925782351 635278850 /nfs/dbraw/zinc/27/88/50/635278850.db2.gz JNOLGCZTRIICAX-NOOOWODRSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000925792802 635325248 /nfs/dbraw/zinc/32/52/48/635325248.db2.gz WGTSYXUZYGCZGY-NOOOWODRSA-N 2 0 211.353 0.382 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CNCC[C@@H]1C ZINC000925796997 635333969 /nfs/dbraw/zinc/33/39/69/635333969.db2.gz SQOCUMWWAYAILN-UMSGYPCISA-N 2 0 225.380 0.820 20 0 BCADRP COC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000220861864 635348705 /nfs/dbraw/zinc/34/87/05/635348705.db2.gz SRLLZVZWKYRTJG-OUAUKWLOSA-N 2 0 226.320 0.751 20 0 BCADRP COC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000220861795 635348961 /nfs/dbraw/zinc/34/89/61/635348961.db2.gz SRLLZVZWKYRTJG-VWYCJHECSA-N 2 0 226.320 0.751 20 0 BCADRP CO[C@H](C)[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810869 635365867 /nfs/dbraw/zinc/36/58/67/635365867.db2.gz BUGUHORLQNIJPX-GHMZBOCLSA-N 2 0 229.368 0.423 20 0 BCADRP C[C@H]([NH2+]CCO[C@@H]1CCOC1)[C@@H]1CC[NH2+]C1 ZINC000925874794 635594740 /nfs/dbraw/zinc/59/47/40/635594740.db2.gz NNTXNWSFSUQBFV-QJPTWQEYSA-N 2 0 228.336 0.380 20 0 BCADRP C[C@H]([NH2+]CCO[C@H]1CCOC1)[C@@H]1CC[NH2+]C1 ZINC000925874797 635595390 /nfs/dbraw/zinc/59/53/90/635595390.db2.gz NNTXNWSFSUQBFV-TUAOUCFPSA-N 2 0 228.336 0.380 20 0 BCADRP CN(C[C@H]1CCC[NH2+]1)C[C@@H]1CCC[N@@H+]1C ZINC000220937510 635762653 /nfs/dbraw/zinc/76/26/53/635762653.db2.gz CXVOPWOBIXVRHM-NEPJUHHUSA-N 2 0 211.353 0.764 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@H]2CCCNC2=O)CC1 ZINC000054243858 636244958 /nfs/dbraw/zinc/24/49/58/636244958.db2.gz OYMMEINAXFUJCR-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(CO)CC1 ZINC000925203525 636380376 /nfs/dbraw/zinc/38/03/76/636380376.db2.gz MFCCWJXKPVUSNA-FOSCPWQOSA-N 2 0 224.348 0.689 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000870934583 636384494 /nfs/dbraw/zinc/38/44/94/636384494.db2.gz CAZSDDIUYZAMGD-OUAUKWLOSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1CN(C(=O)CC[NH2+]CC2CC2)CC[C@H]1[NH3+] ZINC000870937232 636384834 /nfs/dbraw/zinc/38/48/34/636384834.db2.gz XCBLRJIXZHTQGG-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000897845445 636837393 /nfs/dbraw/zinc/83/73/93/636837393.db2.gz QJQISWSHBAUOTO-QJPTWQEYSA-N 2 0 239.363 0.632 20 0 BCADRP COCC(COC)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322424625 636863750 /nfs/dbraw/zinc/86/37/50/636863750.db2.gz MUBMFNIFIZGPLO-VGPLMAKISA-N 2 0 242.363 0.863 20 0 BCADRP CON1CCC([NH2+]C[C@H](C)C[NH+](C)C)CC1 ZINC000323043464 636894791 /nfs/dbraw/zinc/89/47/91/636894791.db2.gz CUUHMNGFJFJCKF-NSHDSACASA-N 2 0 229.368 0.800 20 0 BCADRP CC[C@H]1COC[C@H]1[NH2+]CCC[N@H+](C)CCOC ZINC000924654097 636976595 /nfs/dbraw/zinc/97/65/95/636976595.db2.gz OZMNWPAOMLGCOL-QWHCGFSZSA-N 2 0 244.379 0.969 20 0 BCADRP CCO[C@@H](C[NH2+][C@H]1COCC1(C)C)CN(C)C ZINC000926964425 636977266 /nfs/dbraw/zinc/97/72/66/636977266.db2.gz RPVACPOHFLXHTK-RYUDHWBXSA-N 2 0 244.379 0.968 20 0 BCADRP OCC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000042409399 637230653 /nfs/dbraw/zinc/23/06/53/637230653.db2.gz PZBSVUHLJGDLCU-UHFFFAOYSA-N 2 0 212.337 0.833 20 0 BCADRP CCO[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000903461827 637362978 /nfs/dbraw/zinc/36/29/78/637362978.db2.gz YSOVQOZCXKXDDN-FVCCEPFGSA-N 3 0 241.379 0.409 20 0 BCADRP COC(=O)C12CC(C1)C[N@@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463412 637363812 /nfs/dbraw/zinc/36/38/12/637363812.db2.gz AIIZPQZIBMGGMC-JJOYANBFSA-N 2 0 238.331 0.751 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000903463658 637364991 /nfs/dbraw/zinc/36/49/91/637364991.db2.gz IHRQFWXCDYLRRQ-VOAKCMCISA-N 2 0 224.348 0.810 20 0 BCADRP Cn1nccc1[C@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000903566035 637371184 /nfs/dbraw/zinc/37/11/84/637371184.db2.gz HQKKPGANQQKEGB-GFCCVEGCSA-N 2 0 238.335 0.532 20 0 BCADRP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+]1CCSCC1 ZINC000903722966 637378307 /nfs/dbraw/zinc/37/83/07/637378307.db2.gz FNHDMYKARHWYGX-NWDGAFQWSA-N 2 0 242.388 0.804 20 0 BCADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+]1CCSCC1 ZINC000903722961 637378661 /nfs/dbraw/zinc/37/86/61/637378661.db2.gz FNHDMYKARHWYGX-NEPJUHHUSA-N 2 0 242.388 0.804 20 0 BCADRP OCC[N@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903722803 637379697 /nfs/dbraw/zinc/37/96/97/637379697.db2.gz DNOMIDBNHDILNZ-CHWSQXEVSA-N 2 0 240.347 0.212 20 0 BCADRP [NH3+]CC1(CN2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC000904429851 637399960 /nfs/dbraw/zinc/39/99/60/637399960.db2.gz OYUHMWBCYQLNKB-ZDUSSCGKSA-N 2 0 223.364 0.943 20 0 BCADRP C(N1CC[C@@]2(C1)CCCC[NH2+]2)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000904429752 637401011 /nfs/dbraw/zinc/40/10/11/637401011.db2.gz NKAOUCWAHQUAHG-HZSPNIEDSA-N 2 0 235.375 0.814 20 0 BCADRP CC(C)([NH3+])CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000904431743 637401364 /nfs/dbraw/zinc/40/13/64/637401364.db2.gz ZMPRXGAJEIBJMC-GFCCVEGCSA-N 2 0 211.353 0.942 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN[C@@H]1C[NH2+]CC1(C)C ZINC000904460893 637420967 /nfs/dbraw/zinc/42/09/67/637420967.db2.gz BHMRHPCSSOTEHH-GHMZBOCLSA-N 2 0 213.369 0.947 20 0 BCADRP N[C@@H]1c2ccccc2C[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904459370 637420982 /nfs/dbraw/zinc/42/09/82/637420982.db2.gz QYDLTOATPYRWII-QEGRKFQGSA-N 2 0 231.343 0.938 20 0 BCADRP NC(=O)[C@]12CCC[C@H]1C[N@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000904468973 637422237 /nfs/dbraw/zinc/42/22/37/637422237.db2.gz HGODJWOPQJQVQF-DVRWULTCSA-N 2 0 249.358 0.326 20 0 BCADRP CC[N@H+](CCC(=O)NC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904470454 637423534 /nfs/dbraw/zinc/42/35/34/637423534.db2.gz XHZHNTMCGNOFQC-AOOOYVTPSA-N 2 0 213.325 0.182 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC(C)(C)C[NH3+] ZINC000904926047 637528311 /nfs/dbraw/zinc/52/83/11/637528311.db2.gz OVMWAILHMPTYLO-SNVBAGLBSA-N 2 0 201.314 0.357 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000904931946 637532930 /nfs/dbraw/zinc/53/29/30/637532930.db2.gz RKCXHPMQYPKXLA-CABZTGNLSA-N 2 0 227.352 0.761 20 0 BCADRP C[C@H](Cn1ccnc1)[NH2+]C[C@](C)(O)C(F)F ZINC000905047984 637567217 /nfs/dbraw/zinc/56/72/17/637567217.db2.gz WDTGHLNPDTUADJ-SCZZXKLOSA-N 2 0 233.262 0.877 20 0 BCADRP CC(C)(C)[NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000905058029 637593560 /nfs/dbraw/zinc/59/35/60/637593560.db2.gz DCIVMZIDZNXMEC-JTQLQIEISA-N 2 0 223.324 0.701 20 0 BCADRP CC(C)(C[NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000905316775 637742755 /nfs/dbraw/zinc/74/27/55/637742755.db2.gz DDNYZGPJGJBRMD-UHFFFAOYSA-N 2 0 238.335 0.848 20 0 BCADRP C1C[NH2+][C@H](c2noc([C@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)C1 ZINC000905304891 637761931 /nfs/dbraw/zinc/76/19/31/637761931.db2.gz NPZXKHSGHBIEQJ-KATARQTJSA-N 2 0 234.303 0.817 20 0 BCADRP C[NH2+][C@H](C)Cc1noc([C@H]2C[NH2+]CC2(C)C)n1 ZINC000905305921 637764117 /nfs/dbraw/zinc/76/41/17/637764117.db2.gz ZYCLTCDEQMEMLP-RKDXNWHRSA-N 2 0 238.335 0.933 20 0 BCADRP O[C@H](CC[NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000905691796 637883397 /nfs/dbraw/zinc/88/33/97/637883397.db2.gz ODDSQNDYJJRMEM-QWHCGFSZSA-N 2 0 242.363 0.194 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000906091954 638048657 /nfs/dbraw/zinc/04/86/57/638048657.db2.gz QZUDPOONIFWNIC-GARJFASQSA-N 2 0 227.352 0.746 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000906091956 638049112 /nfs/dbraw/zinc/04/91/12/638049112.db2.gz QZUDPOONIFWNIC-HBNTYKKESA-N 2 0 227.352 0.746 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000906092025 638049185 /nfs/dbraw/zinc/04/91/85/638049185.db2.gz SLAVQAYVLWAXJM-GMTAPVOTSA-N 2 0 227.352 0.556 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000906097208 638052849 /nfs/dbraw/zinc/05/28/49/638052849.db2.gz MISBGPLCMRCVEX-LOWVWBTDSA-N 2 0 239.363 0.700 20 0 BCADRP CN(C)CC(N)=NOCC[C@@H]1CCCC[N@@H+]1C ZINC000906507434 638179288 /nfs/dbraw/zinc/17/92/88/638179288.db2.gz CFJFWHQLDHUVTC-NSHDSACASA-N 2 0 242.367 0.921 20 0 BCADRP [NH3+]C1CC(NC2CC[NH+](CC3CC3)CC2)C1 ZINC000906510585 638183450 /nfs/dbraw/zinc/18/34/50/638183450.db2.gz MJRINECRKDOGCE-UHFFFAOYSA-N 2 0 223.364 0.940 20 0 BCADRP NC(=O)c1ccc(C[NH2+]C2CC([NH3+])C2)cc1 ZINC000906510791 638183886 /nfs/dbraw/zinc/18/38/86/638183886.db2.gz XISADNLLWIXKIM-UHFFFAOYSA-N 2 0 219.288 0.365 20 0 BCADRP [NH3+][C@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000906517590 638187254 /nfs/dbraw/zinc/18/72/54/638187254.db2.gz IBJBOIAAYDHPEH-JZRPKSSGSA-N 2 0 223.364 0.986 20 0 BCADRP CC(C)([NH3+])C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000906639825 638226551 /nfs/dbraw/zinc/22/65/51/638226551.db2.gz MGJBLSWEBUPHTC-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH]cn1 ZINC000908262484 638627455 /nfs/dbraw/zinc/62/74/55/638627455.db2.gz XSGZMALQSVZTQB-JTQLQIEISA-N 2 0 238.335 0.797 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C)[NH+](C)C ZINC000908414514 638699860 /nfs/dbraw/zinc/69/98/60/638699860.db2.gz QARFTAWPPWQJPS-SDDRHHMPSA-N 2 0 241.379 0.878 20 0 BCADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3cnc[nH]3)[C@@H]2C1 ZINC000911302338 639616200 /nfs/dbraw/zinc/61/62/00/639616200.db2.gz KSXPRVJVMNMUGA-CMPLNLGQSA-N 2 0 248.330 0.505 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N1CCC([NH3+])CC1 ZINC000911619226 639681764 /nfs/dbraw/zinc/68/17/64/639681764.db2.gz GGWDMTWKYBJDEN-JTQLQIEISA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000911621827 639682242 /nfs/dbraw/zinc/68/22/42/639682242.db2.gz BRTYXPSUAVUMGP-QWRGUYRKSA-N 2 0 227.352 0.700 20 0 BCADRP [NH3+]Cc1ccccc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911620797 639682464 /nfs/dbraw/zinc/68/24/64/639682464.db2.gz UXNOCYIDNDPMOB-LLVKDONJSA-N 2 0 233.315 0.709 20 0 BCADRP C[NH2+]CCCCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000911621356 639683290 /nfs/dbraw/zinc/68/32/90/639683290.db2.gz YHYAWRQZVUNQCP-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)C2=CCC[NH2+]CC2)C1 ZINC000911624029 639684724 /nfs/dbraw/zinc/68/47/24/639684724.db2.gz PYMCTUAOMIHKRW-NSHDSACASA-N 2 0 223.320 0.246 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)C2=CCC[NH2+]CC2)C1 ZINC000911624028 639686016 /nfs/dbraw/zinc/68/60/16/639686016.db2.gz PYMCTUAOMIHKRW-LLVKDONJSA-N 2 0 223.320 0.246 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911625353 639686901 /nfs/dbraw/zinc/68/69/01/639686901.db2.gz VPOVIYBOZHKWGS-GMTAPVOTSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]CCNC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC000911629611 639689728 /nfs/dbraw/zinc/68/97/28/639689728.db2.gz KESYKGHWAVJRBM-OUAUKWLOSA-N 2 0 225.336 0.230 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)C2CC([NH2+]C)C2)C1 ZINC000911632712 639691725 /nfs/dbraw/zinc/69/17/25/639691725.db2.gz BJSBIRNLLLMLGJ-VOMCLLRMSA-N 2 0 239.363 0.442 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)CC1 ZINC000911670418 639696491 /nfs/dbraw/zinc/69/64/91/639696491.db2.gz LJUMSZPOFFBYLY-AAEUAGOBSA-N 2 0 237.347 0.183 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CCC(C[NH3+])CC1 ZINC000911670604 639697509 /nfs/dbraw/zinc/69/75/09/639697509.db2.gz NNJUMYYSDGHQLF-LLVKDONJSA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CCC(C[NH3+])CC1 ZINC000911672391 639698320 /nfs/dbraw/zinc/69/83/20/639698320.db2.gz DKBHUHLJAZEXRJ-GFCCVEGCSA-N 2 0 241.379 0.947 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911672395 639699309 /nfs/dbraw/zinc/69/93/09/639699309.db2.gz DNNVXMWGYUINPT-AXFHLTTASA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)NCC1CC[NH2+]CC1 ZINC000911672267 639699377 /nfs/dbraw/zinc/69/93/77/639699377.db2.gz JYJYKROKSAKQBA-LBPRGKRZSA-N 2 0 241.379 0.866 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H](C[NH3+])C1CCCCCC1 ZINC000911647988 639701037 /nfs/dbraw/zinc/70/10/37/639701037.db2.gz LMRVCRMZOMDWOT-LBPRGKRZSA-N 2 0 241.379 0.997 20 0 BCADRP O=C(NCC1CC[NH2+]CC1)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911672830 639706007 /nfs/dbraw/zinc/70/60/07/639706007.db2.gz OEBTYPNZKCBGBV-YPMHNXCESA-N 2 0 237.347 0.244 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@](C)(C[NH3+])CC(C)C)C1 ZINC000911654939 639710456 /nfs/dbraw/zinc/71/04/56/639710456.db2.gz DKTCOTJJGLBTTG-AAEUAGOBSA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+]CCCSCCC(=O)N1CCC[NH2+]CC1 ZINC000911656772 639713134 /nfs/dbraw/zinc/71/31/34/639713134.db2.gz SZYJOPIVOITPBX-UHFFFAOYSA-N 2 0 245.392 0.280 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C[C@H]([NH3+])C(C)(C)C)C1 ZINC000911657750 639715181 /nfs/dbraw/zinc/71/51/81/639715181.db2.gz YWNRTWGSKSAYCT-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@](C)(C[NH3+])CC(C)C ZINC000911676821 639716744 /nfs/dbraw/zinc/71/67/44/639716744.db2.gz LRPSGEGATWKICP-GFCCVEGCSA-N 2 0 229.368 0.723 20 0 BCADRP C[NH2+]CCCNC(=O)[C@](C)(C[NH3+])CC(C)C ZINC000911676822 639717491 /nfs/dbraw/zinc/71/74/91/639717491.db2.gz LRPSGEGATWKICP-LBPRGKRZSA-N 2 0 229.368 0.723 20 0 BCADRP C[NH2+]CCCNC(=O)[C@]12CC[NH2+][C@H]1CCCC2 ZINC000911677479 639717968 /nfs/dbraw/zinc/71/79/68/639717968.db2.gz SCHLZYFBVBVVSX-WCQYABFASA-N 2 0 239.363 0.634 20 0 BCADRP CC[NH2+]CCCNC(=O)C1=CCC[NH2+]CC1 ZINC000911687128 639723520 /nfs/dbraw/zinc/72/35/20/639723520.db2.gz CWYVWSDHUCKPPN-UHFFFAOYSA-N 2 0 225.336 0.412 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911685508 639724370 /nfs/dbraw/zinc/72/43/70/639724370.db2.gz QIXBIHYJDFZLIV-JQWIXIFHSA-N 2 0 225.336 0.102 20 0 BCADRP CN(C(=O)C[C@H]([NH3+])C(C)(C)C)C1CC[NH2+]CC1 ZINC000911692106 639729041 /nfs/dbraw/zinc/72/90/41/639729041.db2.gz LFNXUCLVSMOXOE-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]([NH3+])C[C@H](C)CC ZINC000911688990 639729306 /nfs/dbraw/zinc/72/93/06/639729306.db2.gz XVILUTATHHMGNJ-GHMZBOCLSA-N 2 0 229.368 0.866 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)C1=CCC[NH2+]CC1 ZINC000911673617 639735380 /nfs/dbraw/zinc/73/53/80/639735380.db2.gz NHFBPUCNGPNHQI-LLVKDONJSA-N 2 0 223.320 0.164 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)C1=CCC[NH2+]CC1 ZINC000911723974 639748107 /nfs/dbraw/zinc/74/81/07/639748107.db2.gz JFURJDTWJWXMGX-SNVBAGLBSA-N 2 0 223.320 0.117 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911706124 639760082 /nfs/dbraw/zinc/76/00/82/639760082.db2.gz DGHKADYASVWBPL-WRWGMCAJSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)C1 ZINC000911707137 639760138 /nfs/dbraw/zinc/76/01/38/639760138.db2.gz KRVIYKITEDSJEO-GVXVVHGQSA-N 2 0 237.347 0.183 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911734127 639760891 /nfs/dbraw/zinc/76/08/91/639760891.db2.gz ITABPTAEZPIAOP-QWRGUYRKSA-N 2 0 227.352 0.557 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000911737045 639761582 /nfs/dbraw/zinc/76/15/82/639761582.db2.gz QWPDOHIZEWFPTG-QJPTWQEYSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C1 ZINC000911736076 639762704 /nfs/dbraw/zinc/76/27/04/639762704.db2.gz HGACAAIKDZHMSG-WZRBSPASSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000911736789 639763189 /nfs/dbraw/zinc/76/31/89/639763189.db2.gz SZKPECYVHWQJGQ-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911737513 639764078 /nfs/dbraw/zinc/76/40/78/639764078.db2.gz BBXUHHUVMXULLB-VHSXEESVSA-N 2 0 227.352 0.557 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)N1CC[C@H]([NH3+])C1 ZINC000911739263 639764510 /nfs/dbraw/zinc/76/45/10/639764510.db2.gz SGFVJCIUGIPTJM-IUCAKERBSA-N 2 0 231.365 0.017 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000911737511 639765115 /nfs/dbraw/zinc/76/51/15/639765115.db2.gz BBXUHHUVMXULLB-NXEZZACHSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@H]1[NH2+]CCn2c(C(=O)N3CC[C@H]([NH3+])C3)ccc21 ZINC000911739306 639765518 /nfs/dbraw/zinc/76/55/18/639765518.db2.gz TVMMXMDJKQNUAQ-ZJUUUORDSA-N 2 0 248.330 0.326 20 0 BCADRP [NH3+][C@@H](C(=O)N1CC[C@H]([NH3+])C1)C1CCCCCC1 ZINC000911739471 639765928 /nfs/dbraw/zinc/76/59/28/639765928.db2.gz WJTUXZPAEYRNAE-NWDGAFQWSA-N 2 0 239.363 0.844 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 ZINC000911748025 639772311 /nfs/dbraw/zinc/77/23/11/639772311.db2.gz IAXKMAFWLPNVHO-IJLUTSLNSA-N 2 0 239.363 0.490 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911750163 639775724 /nfs/dbraw/zinc/77/57/24/639775724.db2.gz GOJUBUWDPCTCLN-VIFPVBQESA-N 2 0 215.341 0.476 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911750984 639777521 /nfs/dbraw/zinc/77/75/21/639777521.db2.gz HJUDXEBLCVRYIG-VXGBXAGGSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911752642 639781379 /nfs/dbraw/zinc/78/13/79/639781379.db2.gz XJZXHWLUBRAABE-NXEZZACHSA-N 2 0 236.319 0.457 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NCC[NH2+]C1CC1 ZINC000911753077 639782607 /nfs/dbraw/zinc/78/26/07/639782607.db2.gz YJDKJVSLVPGBGA-JTQLQIEISA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NC(C)(C)C[NH3+] ZINC000911762066 639789656 /nfs/dbraw/zinc/78/96/56/639789656.db2.gz KVFWWLLLYZSXDQ-IUCAKERBSA-N 2 0 215.341 0.603 20 0 BCADRP [NH3+][C@H](CNC(=O)CC1CC([NH3+])C1)c1ccccc1 ZINC000911762798 639788261 /nfs/dbraw/zinc/78/82/61/639788261.db2.gz CSQANTQVWBPUHM-KGPNIALWSA-N 2 0 247.342 0.930 20 0 BCADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)NC(C)(C)C[NH3+] ZINC000911762067 639788931 /nfs/dbraw/zinc/78/89/31/639788931.db2.gz KVFWWLLLYZSXDQ-RKDXNWHRSA-N 2 0 215.341 0.603 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911762915 639789814 /nfs/dbraw/zinc/78/98/14/639789814.db2.gz RTBNSCUBKWKNOJ-KXNHARMFSA-N 2 0 239.363 0.474 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C1=CCC[NH2+]CC1 ZINC000911764475 639790333 /nfs/dbraw/zinc/79/03/33/639790333.db2.gz UCTVMZJCNJRRPH-UHFFFAOYSA-N 2 0 239.363 0.801 20 0 BCADRP CCCN(C(=O)CCCC[NH2+]C)[C@@H]1CC[NH2+]C1 ZINC000911769813 639793927 /nfs/dbraw/zinc/79/39/27/639793927.db2.gz YCSHOHWGUONMQI-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@@H]1C[C@H](C(=O)NCC[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000911775361 639796478 /nfs/dbraw/zinc/79/64/78/639796478.db2.gz NVTIOMWIDBTMIJ-IJLUTSLNSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911774438 639796510 /nfs/dbraw/zinc/79/65/10/639796510.db2.gz ICRQXSQWUXOSGI-NWDGAFQWSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)C[C@H]([NH3+])C(C)(C)C)C1 ZINC000911774752 639796565 /nfs/dbraw/zinc/79/65/65/639796565.db2.gz MRSMPOYFHZZJIU-MNOVXSKESA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000911779147 639797735 /nfs/dbraw/zinc/79/77/35/639797735.db2.gz ZWNRSRHGIIJGFD-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)N1CCC([NH2+]C)CC1 ZINC000911787819 639805005 /nfs/dbraw/zinc/80/50/05/639805005.db2.gz VULOJFOBHBKZAL-PWSUYJOCSA-N 2 0 241.379 0.960 20 0 BCADRP CN(C(=O)C1=CCC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000911787744 639805561 /nfs/dbraw/zinc/80/55/61/639805561.db2.gz LIYLOPWQVDDSGX-NSHDSACASA-N 2 0 223.320 0.117 20 0 BCADRP C[C@@H]1C[C@H](C(=O)N(C)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000911789883 639807537 /nfs/dbraw/zinc/80/75/37/639807537.db2.gz YAPQZXNKJOWRFW-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911789873 639807724 /nfs/dbraw/zinc/80/77/24/639807724.db2.gz XROYASQQUFQXPK-WCQYABFASA-N 2 0 241.379 0.818 20 0 BCADRP CN(C(=O)[C@@H]1CCCC[C@@H]1[NH3+])[C@H]1CC[NH2+]C1 ZINC000911789264 639807837 /nfs/dbraw/zinc/80/78/37/639807837.db2.gz UUHJMGHMLHRJLM-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@H](CO)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000930560008 639811278 /nfs/dbraw/zinc/81/12/78/639811278.db2.gz XWWUXUOSXGOKEV-VXGBXAGGSA-N 2 0 212.337 0.785 20 0 BCADRP C[C@H]1CN(C(=O)CC(C)(C)C[NH3+])C[C@H](C)[NH2+]1 ZINC000911795321 639818755 /nfs/dbraw/zinc/81/87/55/639818755.db2.gz IXLZXTRGJWZGFF-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H]([NH3+])CCSC ZINC000911799876 639820352 /nfs/dbraw/zinc/82/03/52/639820352.db2.gz LOHCFFJAJSYXGN-SECBINFHSA-N 2 0 247.408 0.701 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)C1CC1 ZINC000911798982 639820559 /nfs/dbraw/zinc/82/05/59/639820559.db2.gz DFMRLLFTKDISLZ-LSCVPOLPSA-N 2 0 237.347 0.086 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)C[C@H](C)[NH2+]1 ZINC000911799601 639821124 /nfs/dbraw/zinc/82/11/24/639821124.db2.gz IPXOOIKZHOOEKT-OWSRUXPGSA-N 2 0 237.347 0.179 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NC1(C[NH3+])CCCC1 ZINC000911801066 639822051 /nfs/dbraw/zinc/82/20/51/639822051.db2.gz XTMQRROAAGIGGG-GHMZBOCLSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]CC1(NC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCCC1 ZINC000911801135 639822898 /nfs/dbraw/zinc/82/28/98/639822898.db2.gz ZTSRUSUIQCDSJB-OUAUKWLOSA-N 2 0 237.347 0.230 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000911808573 639828808 /nfs/dbraw/zinc/82/88/08/639828808.db2.gz FHAVDJMHTBGFNB-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000911808571 639829823 /nfs/dbraw/zinc/82/98/23/639829823.db2.gz FHAVDJMHTBGFNB-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]([NH3+])C(C)(C)C)CC[NH2+]1 ZINC000911810040 639830897 /nfs/dbraw/zinc/83/08/97/639830897.db2.gz KQCOMRLTMIBCOU-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)CC(C)(C)C[NH3+] ZINC000911812744 639834422 /nfs/dbraw/zinc/83/44/22/639834422.db2.gz IPIWMDFNQPPGET-QMMMGPOBSA-N 2 0 201.314 0.167 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000911813173 639836450 /nfs/dbraw/zinc/83/64/50/639836450.db2.gz WJQOQEGAFHMCRX-RYUDHWBXSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])C1 ZINC000911823633 639837241 /nfs/dbraw/zinc/83/72/41/639837241.db2.gz MDZBZKKQTRKHGE-GWOFURMSSA-N 2 0 225.336 0.167 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000911824361 639838261 /nfs/dbraw/zinc/83/82/61/639838261.db2.gz NGWRRZVTSLFUAC-DDHJBXDOSA-N 2 0 239.363 0.428 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911825049 639838268 /nfs/dbraw/zinc/83/82/68/639838268.db2.gz GSVJJKQZGXMUAC-SCVCMEIPSA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C1=CCC[NH2+]CC1 ZINC000911828101 639839074 /nfs/dbraw/zinc/83/90/74/639839074.db2.gz ZDYZVQZDWFFNMA-LLVKDONJSA-N 2 0 225.336 0.396 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000911826392 639839511 /nfs/dbraw/zinc/83/95/11/639839511.db2.gz RYPLHIFARKWAIY-JYBOHDQNSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+]CCCCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000911828197 639839584 /nfs/dbraw/zinc/83/95/84/639839584.db2.gz YIDOUIWVQZOVRN-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)c1ccccc1C[NH3+] ZINC000911828104 639839589 /nfs/dbraw/zinc/83/95/89/639839589.db2.gz ZHTSYOVYUCWBIT-LBPRGKRZSA-N 2 0 235.331 0.858 20 0 BCADRP C[NH2+]C1CC(C(=O)N[C@](C)(C[NH3+])CC(C)C)C1 ZINC000911828893 639841170 /nfs/dbraw/zinc/84/11/70/639841170.db2.gz FNDZHPVYHKDGHM-XIVSLSHWSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CC1CC([NH3+])C1 ZINC000911834165 639845287 /nfs/dbraw/zinc/84/52/87/639845287.db2.gz JUEDOGPMNQRTAL-RTYFJBAXSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccccc2C[NH3+])CC[C@@H]1[NH3+] ZINC000911817698 639849722 /nfs/dbraw/zinc/84/97/22/639849722.db2.gz JCQJRIKUTXUSAJ-MFKMUULPSA-N 2 0 247.342 0.955 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911817497 639850286 /nfs/dbraw/zinc/85/02/86/639850286.db2.gz DOSBETNWEXLPBJ-IRCOFANPSA-N 2 0 239.363 0.617 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[C@@H]1[NH3+] ZINC000911818004 639850575 /nfs/dbraw/zinc/85/05/75/639850575.db2.gz KLVPTYNZFJNJKV-HHHUOAJASA-N 2 0 237.347 0.323 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)C1CC([NH2+]C)C1 ZINC000911864561 639852201 /nfs/dbraw/zinc/85/22/01/639852201.db2.gz RKKKIUDCADDQER-VQXHTEKXSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C1=CCC[NH2+]CC1 ZINC000911867531 639853590 /nfs/dbraw/zinc/85/35/90/639853590.db2.gz IMENTVXRYFEZCO-LBPRGKRZSA-N 2 0 237.347 0.507 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911869080 639853716 /nfs/dbraw/zinc/85/37/16/639853716.db2.gz WEPWZPMEXODEIN-MFKMUULPSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@]12CC[NH2+][C@H]1CCCC2 ZINC000911847075 639855967 /nfs/dbraw/zinc/85/59/67/639855967.db2.gz UMMMMASWHFEMNJ-GXFFZTMASA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCC(C)(C)[NH3+] ZINC000911847504 639856221 /nfs/dbraw/zinc/85/62/21/639856221.db2.gz YBTSWPVUXAVBPJ-RKDXNWHRSA-N 2 0 213.325 0.086 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000911850777 639858621 /nfs/dbraw/zinc/85/86/21/639858621.db2.gz BEQYRCDANSHDTK-OUAUKWLOSA-N 2 0 225.336 0.454 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000911851391 639858730 /nfs/dbraw/zinc/85/87/30/639858730.db2.gz HGLJPUQDPJVWCT-ZJUUUORDSA-N 2 0 227.352 0.700 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH3+] ZINC000911852137 639858928 /nfs/dbraw/zinc/85/89/28/639858928.db2.gz NGBIWGJRENFLRZ-HBNTYKKESA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000911853270 639860398 /nfs/dbraw/zinc/86/03/98/639860398.db2.gz YYKKXPKFNNLFRI-NEPJUHHUSA-N 2 0 239.363 0.809 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C1([NH2+]C)CCC1 ZINC000911857761 639862099 /nfs/dbraw/zinc/86/20/99/639862099.db2.gz LGUSADDPYXEFLQ-UHFFFAOYSA-N 2 0 227.352 0.762 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C1=CCC[NH2+]CC1 ZINC000911883250 639867373 /nfs/dbraw/zinc/86/73/73/639867373.db2.gz XUYSLTQAOXPGQM-GFCCVEGCSA-N 2 0 239.363 0.930 20 0 BCADRP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH+](C)C ZINC000912389896 640048292 /nfs/dbraw/zinc/04/82/92/640048292.db2.gz HLSRDLFFZXROIG-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)[C@@H]1[C@H]2CN(CC[NH+]3CCCCC3)C[C@H]21 ZINC000931278644 640130150 /nfs/dbraw/zinc/13/01/50/640130150.db2.gz JHLKOJLNWYMLKG-WDNDVIMCSA-N 2 0 237.391 0.964 20 0 BCADRP CN(C)[C@@H]1[C@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC000931280093 640135005 /nfs/dbraw/zinc/13/50/05/640135005.db2.gz CAKKENYETXTJSO-NDBYEHHHSA-N 2 0 224.348 0.905 20 0 BCADRP CN(C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC000931280094 640135768 /nfs/dbraw/zinc/13/57/68/640135768.db2.gz CAKKENYETXTJSO-WUHRBBMRSA-N 2 0 224.348 0.905 20 0 BCADRP CCNC(=O)CN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931431548 640199223 /nfs/dbraw/zinc/19/92/23/640199223.db2.gz YKLJOBKKSXGUNP-WDEREUQCSA-N 2 0 225.336 0.006 20 0 BCADRP CCNC(=O)CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433336 640201065 /nfs/dbraw/zinc/20/10/65/640201065.db2.gz YJLKTBBYLOZTEE-NWDGAFQWSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@@H](C(=O)N1CCC([NH+]2CCC2)CC1)[NH+](C)C ZINC000912870462 640224997 /nfs/dbraw/zinc/22/49/97/640224997.db2.gz AGZWNKXFUBOIDK-NSHDSACASA-N 2 0 239.363 0.633 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)C2)C1 ZINC000912906511 640233118 /nfs/dbraw/zinc/23/31/18/640233118.db2.gz FXGAVKCGHZUERH-RYUDHWBXSA-N 2 0 237.347 0.245 20 0 BCADRP CCC[C@@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931480652 640234000 /nfs/dbraw/zinc/23/40/00/640234000.db2.gz IBJROLZLWSBTMB-GFCCVEGCSA-N 2 0 244.379 0.536 20 0 BCADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912902719 640246854 /nfs/dbraw/zinc/24/68/54/640246854.db2.gz IQRFBESBJUGXIM-NWDGAFQWSA-N 2 0 237.347 0.387 20 0 BCADRP CC(C)NC(=O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000044518372 640399442 /nfs/dbraw/zinc/39/94/42/640399442.db2.gz WGXFVFCWZAFDND-UHFFFAOYSA-N 2 0 227.352 0.442 20 0 BCADRP CCNC(=O)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000044518296 640399506 /nfs/dbraw/zinc/39/95/06/640399506.db2.gz WAMIOGMRIWVVEN-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)NC(=O)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000044518292 640399877 /nfs/dbraw/zinc/39/98/77/640399877.db2.gz TXXOMZUTAPVJQF-NSHDSACASA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH2+]CC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000044650662 640447292 /nfs/dbraw/zinc/44/72/92/640447292.db2.gz CHGKIYURVSHIMA-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP CC[NH2+]CC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000044650544 640447446 /nfs/dbraw/zinc/44/74/46/640447446.db2.gz UWSQDDGQNJJORV-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000223026255 640526488 /nfs/dbraw/zinc/52/64/88/640526488.db2.gz AHZURZAQXJYQDI-OPRDCNLKSA-N 2 0 234.365 0.279 20 0 BCADRP C[NH+]1CCC(CCNC(=O)CC[NH3+])CC1 ZINC000157230655 640639918 /nfs/dbraw/zinc/63/99/18/640639918.db2.gz ZGDBLYDVBGFODN-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NCC[NH+](C)C)C1 ZINC000167370265 640712787 /nfs/dbraw/zinc/71/27/87/640712787.db2.gz PVTWMEKSNIGBAU-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)[NH+](C)C ZINC000167416285 640720543 /nfs/dbraw/zinc/72/05/43/640720543.db2.gz STMIXPKVEISLAE-MXWKQRLJSA-N 2 0 227.352 0.441 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](O)CC(C)C ZINC000226076660 640726681 /nfs/dbraw/zinc/72/66/81/640726681.db2.gz IBDBPQBACFBPOF-NEPJUHHUSA-N 2 0 232.368 0.737 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000877102727 640747965 /nfs/dbraw/zinc/74/79/65/640747965.db2.gz MUXHIHRTNAGUFY-ZWNOBZJWSA-N 2 0 235.331 0.666 20 0 BCADRP COCCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933737470 640756581 /nfs/dbraw/zinc/75/65/81/640756581.db2.gz QAEJWENKFFZFPH-NWDGAFQWSA-N 2 0 212.337 0.906 20 0 BCADRP CC[NH2+]CC(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000226396715 640760466 /nfs/dbraw/zinc/76/04/66/640760466.db2.gz NDNTZFZRDNKVFY-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP CC1(C)[C@H](O)C[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000226720538 640791704 /nfs/dbraw/zinc/79/17/04/640791704.db2.gz OGYNTEAUROGXTG-GRYCIOLGSA-N 2 0 242.363 0.192 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)CC[N@@H+]1C ZINC000158110084 640806838 /nfs/dbraw/zinc/80/68/38/640806838.db2.gz GQXVTZVLTGISIL-WDEREUQCSA-N 2 0 240.351 0.084 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000227236244 640822249 /nfs/dbraw/zinc/82/22/49/640822249.db2.gz QBDMWNANMWVTSJ-WOPDTQHZSA-N 2 0 239.363 0.762 20 0 BCADRP COCCOCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227767450 640848135 /nfs/dbraw/zinc/84/81/35/640848135.db2.gz TWKUMJQEBWHTBZ-RYUDHWBXSA-N 2 0 230.352 0.566 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000228530627 640878529 /nfs/dbraw/zinc/87/85/29/640878529.db2.gz WGMDBGRMXGWKEA-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000228532129 640879005 /nfs/dbraw/zinc/87/90/05/640879005.db2.gz KDIJGZARARVOFE-GXSJLCMTSA-N 2 0 225.336 0.182 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000228792448 640895376 /nfs/dbraw/zinc/89/53/76/640895376.db2.gz JXYAQWVCBCETLG-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229258741 640940357 /nfs/dbraw/zinc/94/03/57/640940357.db2.gz KYDKPLFQBHZYEK-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP COCCN(C)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000061377632 640958960 /nfs/dbraw/zinc/95/89/60/640958960.db2.gz GQJWGLVTHABGGF-UHFFFAOYSA-N 2 0 243.395 0.496 20 0 BCADRP CC[N@H+](CCNC(=O)C[C@H]([NH3+])C1CC1)C1CC1 ZINC000230063696 641010773 /nfs/dbraw/zinc/01/07/73/641010773.db2.gz ULBFWKMTOYRZEM-LBPRGKRZSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H](C[NH2+]CCS(C)(=O)=O)CN1CCCC1 ZINC000062071074 641019743 /nfs/dbraw/zinc/01/97/43/641019743.db2.gz OMYSMHUUHMQJMT-NSHDSACASA-N 2 0 248.392 0.353 20 0 BCADRP Cn1cc(CC[N@@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000087766638 641021057 /nfs/dbraw/zinc/02/10/57/641021057.db2.gz WWAFGNRJXFRSIE-JTQLQIEISA-N 2 0 208.309 0.243 20 0 BCADRP CNC(=O)C(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000230386667 641049565 /nfs/dbraw/zinc/04/95/65/641049565.db2.gz ZQIQHPYAWWQGBK-MNOVXSKESA-N 2 0 241.379 0.866 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000230711968 641087392 /nfs/dbraw/zinc/08/73/92/641087392.db2.gz VKGFLBPDEMJNND-GFCCVEGCSA-N 2 0 241.379 0.914 20 0 BCADRP Cn1nccc1CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000230772644 641093243 /nfs/dbraw/zinc/09/32/43/641093243.db2.gz OXUNMHZFNFEIOW-MNOVXSKESA-N 2 0 222.336 0.822 20 0 BCADRP Cn1nccc1CC[NH2+]CC1CC[NH+](C)CC1 ZINC000230754129 641098140 /nfs/dbraw/zinc/09/81/40/641098140.db2.gz BPJNLBNAGACPOG-UHFFFAOYSA-N 2 0 236.363 0.894 20 0 BCADRP C[C@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200413 641145811 /nfs/dbraw/zinc/14/58/11/641145811.db2.gz GOKGARYTRXUUNA-CMPLNLGQSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000050464111 641154437 /nfs/dbraw/zinc/15/44/37/641154437.db2.gz XSJCZTNJSMEAGK-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000234263051 641158396 /nfs/dbraw/zinc/15/83/96/641158396.db2.gz WKUMLTTYBBXUEO-CHWSQXEVSA-N 3 0 243.395 0.672 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000234263537 641158679 /nfs/dbraw/zinc/15/86/79/641158679.db2.gz VXYMKWNXSVIUID-NWDGAFQWSA-N 3 0 229.368 0.282 20 0 BCADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779339871 641186768 /nfs/dbraw/zinc/18/67/68/641186768.db2.gz GFYUGOIOJQFNEO-WDEREUQCSA-N 2 0 200.326 0.689 20 0 BCADRP CCN(C)C(=O)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000231847032 641209667 /nfs/dbraw/zinc/20/96/67/641209667.db2.gz JEBCWVHSGPTIQP-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP CC[NH+]1CCN(c2cc[nH+]cc2CO)CC1 ZINC000088110116 641315312 /nfs/dbraw/zinc/31/53/12/641315312.db2.gz RUIOESZRSKSVRS-UHFFFAOYSA-N 2 0 221.304 0.716 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913635703 641437586 /nfs/dbraw/zinc/43/75/86/641437586.db2.gz MVBSAQZPVKWNSQ-NSHDSACASA-N 2 0 237.347 0.293 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000151848408 641464895 /nfs/dbraw/zinc/46/48/95/641464895.db2.gz FRLWCCNQGGQXTD-NSHDSACASA-N 2 0 231.315 0.192 20 0 BCADRP C[N@@H+]1CCCN(c2cc[nH+]c(CO)c2)CC1 ZINC000040864947 641537101 /nfs/dbraw/zinc/53/71/01/641537101.db2.gz COWBYDWKUBHDGI-UHFFFAOYSA-N 2 0 221.304 0.716 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C[NH2+]CC ZINC000041680332 641545383 /nfs/dbraw/zinc/54/53/83/641545383.db2.gz MXWRDJAXMXPWOW-UHFFFAOYSA-N 2 0 215.341 0.396 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000156151231 641596473 /nfs/dbraw/zinc/59/64/73/641596473.db2.gz CJBNMXFCDQRIMV-IJLUTSLNSA-N 2 0 241.379 0.946 20 0 BCADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2([NH3+])CC2)C1 ZINC000572833661 641614412 /nfs/dbraw/zinc/61/44/12/641614412.db2.gz BHBUPWOXQVLCFX-WDEREUQCSA-N 2 0 237.347 0.420 20 0 BCADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCOC1 ZINC000158654623 641644705 /nfs/dbraw/zinc/64/47/05/641644705.db2.gz IOIFFCAEVMVMMF-KXNHARMFSA-N 2 0 212.337 0.857 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000884036826 641863067 /nfs/dbraw/zinc/86/30/67/641863067.db2.gz IFNJSMBVWPCZGG-UWVGGRQHSA-N 2 0 225.336 0.086 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])C[C@@H](C)[NH2+]1 ZINC000153973748 641936375 /nfs/dbraw/zinc/93/63/75/641936375.db2.gz BKRZCLGVQLVQEJ-KKOKHZNYSA-N 2 0 239.363 0.713 20 0 BCADRP CC1(C[NH2+]CCN2CC[NH2+]CC2)CCC1 ZINC000232867249 642000313 /nfs/dbraw/zinc/00/03/13/642000313.db2.gz SXKOJEDLBZONGP-UHFFFAOYSA-N 2 0 211.353 0.671 20 0 BCADRP CN1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000723548204 711515979 /nfs/dbraw/zinc/51/59/79/711515979.db2.gz RVMQPMARQXBVQX-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP CN1C[C@H](CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000723548202 711516281 /nfs/dbraw/zinc/51/62/81/711516281.db2.gz RVMQPMARQXBVQX-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CO)[C@H](C)C1 ZINC000930001221 642140576 /nfs/dbraw/zinc/14/05/76/642140576.db2.gz SCIZLDVEADZFJO-UTUOFQBUSA-N 2 0 230.352 0.002 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@@H](C)O)[C@H](C)C1 ZINC000930001293 642141337 /nfs/dbraw/zinc/14/13/37/642141337.db2.gz TWYLNFHRMNJHSV-NDBYEHHHSA-N 2 0 244.379 0.390 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@H](C)O)[C@H](C)C1 ZINC000930001295 642142453 /nfs/dbraw/zinc/14/24/53/642142453.db2.gz TWYLNFHRMNJHSV-VOAKCMCISA-N 2 0 244.379 0.390 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000160722315 642314757 /nfs/dbraw/zinc/31/47/57/642314757.db2.gz UOCAXDKFSHREEQ-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP C[N@@H+](CCc1cccnc1)CCN1CC[NH2+]CC1 ZINC000071150883 642452563 /nfs/dbraw/zinc/45/25/63/642452563.db2.gz DHCSCJDLGFLGSL-UHFFFAOYSA-N 2 0 248.374 0.461 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000068949972 642815234 /nfs/dbraw/zinc/81/52/34/642815234.db2.gz SAEDQINCRXTDAA-GRYCIOLGSA-N 2 0 230.352 0.443 20 0 BCADRP CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001031772424 642834948 /nfs/dbraw/zinc/83/49/48/642834948.db2.gz UEJXCGUYMVCRQR-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C ZINC000939207751 642858867 /nfs/dbraw/zinc/85/88/67/642858867.db2.gz ATBCKKVKZWWFAK-MWLCHTKSSA-N 2 0 236.319 0.409 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000181285459 642858979 /nfs/dbraw/zinc/85/89/79/642858979.db2.gz YEGYIVVPYQHFGQ-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC[NH+]1CCCC1 ZINC000069839155 642921298 /nfs/dbraw/zinc/92/12/98/642921298.db2.gz WXENDHAGZVTJMW-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC(C)(C)[NH+](C)C ZINC000069839809 642921799 /nfs/dbraw/zinc/92/17/99/642921799.db2.gz XIPXVMSFLLXDCF-VIFPVBQESA-N 2 0 215.341 0.570 20 0 BCADRP CCOC[C@H](O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000070189644 642989644 /nfs/dbraw/zinc/98/96/44/642989644.db2.gz WDGLXYCZMRHXDU-CYBMUJFWSA-N 2 0 244.379 0.705 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001018630992 643002604 /nfs/dbraw/zinc/00/26/04/643002604.db2.gz CJVBALHJRRXTKT-WDEREUQCSA-N 2 0 225.336 0.291 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001018630991 643003129 /nfs/dbraw/zinc/00/31/29/643003129.db2.gz CJVBALHJRRXTKT-QWRGUYRKSA-N 2 0 225.336 0.291 20 0 BCADRP CC(C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001018616253 643003370 /nfs/dbraw/zinc/00/33/70/643003370.db2.gz LQHCUTXHFITOPB-RYUDHWBXSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)[NH+](C)C ZINC000070254652 643004044 /nfs/dbraw/zinc/00/40/44/643004044.db2.gz QRJBOHHCFYKPKN-GHMZBOCLSA-N 2 0 239.363 0.442 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001018867474 643014032 /nfs/dbraw/zinc/01/40/32/643014032.db2.gz PRIOBRCFYPLGBE-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000304542801 643125374 /nfs/dbraw/zinc/12/53/74/643125374.db2.gz KZLVCWSFXTXSHW-MNOVXSKESA-N 2 0 224.352 0.654 20 0 BCADRP [NH3+]CCCCCCC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000157731452 643217126 /nfs/dbraw/zinc/21/71/26/643217126.db2.gz INMAEZCMXHNYPK-LLVKDONJSA-N 2 0 227.352 0.845 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000969947151 643254152 /nfs/dbraw/zinc/25/41/52/643254152.db2.gz BEOWUEORTDUQNI-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP CC(C)[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186592 643282754 /nfs/dbraw/zinc/28/27/54/643282754.db2.gz SMSVDORRQSLYLE-LBPRGKRZSA-N 2 0 239.363 0.395 20 0 BCADRP O=C(Cc1cnc[nH]1)N1CC[C@@H]([NH2+]CCF)C1 ZINC000970103304 643296064 /nfs/dbraw/zinc/29/60/64/643296064.db2.gz LIGGABMTJBGHTC-SECBINFHSA-N 2 0 240.282 0.112 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCSCC1 ZINC000082560342 643343469 /nfs/dbraw/zinc/34/34/69/643343469.db2.gz CPVFCPMLKVWLJT-ZJUUUORDSA-N 2 0 200.351 0.891 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000083369811 643440113 /nfs/dbraw/zinc/44/01/13/643440113.db2.gz VZZRHQXUSNJZQD-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000069054621 643440391 /nfs/dbraw/zinc/44/03/91/643440391.db2.gz KGMDMWMPEZVAGN-AVGNSLFASA-N 2 0 242.363 0.458 20 0 BCADRP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000733868858 643475468 /nfs/dbraw/zinc/47/54/68/643475468.db2.gz CTIIUWRBHJATQY-RYUDHWBXSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@@H]1CCCO1 ZINC000082560620 643511621 /nfs/dbraw/zinc/51/16/21/643511621.db2.gz SATFSFFNLVYOQL-WOPDTQHZSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@H](N)c1nc(C(=O)NCCC[NH3+])cs1 ZINC000085548800 643618223 /nfs/dbraw/zinc/61/82/23/643618223.db2.gz SGYVTAJWTIUUJV-LURJTMIESA-N 2 0 228.321 0.241 20 0 BCADRP C[NH+](C)CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000234237711 643641950 /nfs/dbraw/zinc/64/19/50/643641950.db2.gz KRYIKFBOVKMBJW-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCn1cccn1 ZINC000084216443 643651692 /nfs/dbraw/zinc/65/16/92/643651692.db2.gz ZIPRWWDQCIMXOS-NEPJUHHUSA-N 2 0 222.336 0.990 20 0 BCADRP COCC[C@](C)(O)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000230201268 643766603 /nfs/dbraw/zinc/76/66/03/643766603.db2.gz UTRMNSBNZXJYCE-AGIUHOORSA-N 2 0 244.379 0.881 20 0 BCADRP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921928465 643827843 /nfs/dbraw/zinc/82/78/43/643827843.db2.gz CISVAZXIARYFQS-LBPRGKRZSA-N 2 0 239.319 0.189 20 0 BCADRP Cc1ncoc1C[NH2+]CCOCC[NH+](C)C ZINC000922009639 643844495 /nfs/dbraw/zinc/84/44/95/643844495.db2.gz UGYBIGQHRHOLMF-UHFFFAOYSA-N 2 0 227.308 0.651 20 0 BCADRP Cc1ccc(O)c(C[N@@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000085973156 643870634 /nfs/dbraw/zinc/87/06/34/643870634.db2.gz PIVMULYHPFKVKT-SNVBAGLBSA-N 2 0 221.304 0.876 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC000922160552 643880306 /nfs/dbraw/zinc/88/03/06/643880306.db2.gz VHFSWPMCTCYTFQ-NSHDSACASA-N 2 0 225.336 0.293 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086068430 643898574 /nfs/dbraw/zinc/89/85/74/643898574.db2.gz VRFJANZHTJHVPI-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)[NH+](C)C ZINC000922744200 644086164 /nfs/dbraw/zinc/08/61/64/644086164.db2.gz WWFAPAZHVNDOAH-GARJFASQSA-N 2 0 242.367 0.328 20 0 BCADRP CCO[C@@H](CNC1CC[NH+](C)CC1)C[NH+](C)C ZINC000922762598 644089115 /nfs/dbraw/zinc/08/91/15/644089115.db2.gz XNBKDLSXPZSPPJ-ZDUSSCGKSA-N 2 0 243.395 0.637 20 0 BCADRP Cc1cc(N(C)CC[NH+](C)C)nc(N)[nH+]1 ZINC000086435951 644131513 /nfs/dbraw/zinc/13/15/13/644131513.db2.gz GBSJGLQOEXTAHS-UHFFFAOYSA-N 2 0 209.297 0.365 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000923279430 644311432 /nfs/dbraw/zinc/31/14/32/644311432.db2.gz AQKBPISKKGCBNM-ZJUUUORDSA-N 2 0 218.366 0.381 20 0 BCADRP CCOC[C@H](O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923279679 644312122 /nfs/dbraw/zinc/31/21/22/644312122.db2.gz BEDXCEQWMAFGTE-CYBMUJFWSA-N 2 0 242.363 0.600 20 0 BCADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280944 644314107 /nfs/dbraw/zinc/31/41/07/644314107.db2.gz MGJGZRGLUQCCNB-NWDGAFQWSA-N 3 0 239.363 0.036 20 0 BCADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000923281785 644315405 /nfs/dbraw/zinc/31/54/05/644315405.db2.gz PPMAFFYJDWXUHF-RYUDHWBXSA-N 2 0 230.352 0.443 20 0 BCADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923280946 644315835 /nfs/dbraw/zinc/31/58/35/644315835.db2.gz MGJGZRGLUQCCNB-RYUDHWBXSA-N 3 0 239.363 0.036 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923282767 644316737 /nfs/dbraw/zinc/31/67/37/644316737.db2.gz XQMTUKVHIACEIF-RYUDHWBXSA-N 2 0 230.352 0.445 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923288384 644322388 /nfs/dbraw/zinc/32/23/88/644322388.db2.gz JJBRQVLXUPZPDT-SDDRHHMPSA-N 2 0 230.352 0.443 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923288387 644322932 /nfs/dbraw/zinc/32/29/32/644322932.db2.gz JJBRQVLXUPZPDT-WOPDTQHZSA-N 2 0 230.352 0.443 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC[C@@H]1[NH3+] ZINC000923289036 644322969 /nfs/dbraw/zinc/32/29/69/644322969.db2.gz CXVULIMBFJAEJP-WOPDTQHZSA-N 3 0 239.363 0.034 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923289732 644323759 /nfs/dbraw/zinc/32/37/59/644323759.db2.gz LBCGEZZHODASPB-RYUDHWBXSA-N 2 0 230.352 0.709 20 0 BCADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923290207 644324769 /nfs/dbraw/zinc/32/47/69/644324769.db2.gz VVUZPEXRICCANU-AVGNSLFASA-N 2 0 244.379 0.832 20 0 BCADRP CCOCC[C@@H](O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000923291921 644327983 /nfs/dbraw/zinc/32/79/83/644327983.db2.gz UKNRWNCXSCQKRN-VXGBXAGGSA-N 2 0 230.352 0.315 20 0 BCADRP CCOCC[C@@H](O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000923292521 644330294 /nfs/dbraw/zinc/33/02/94/644330294.db2.gz XTTSJDMBHMQCPF-CYBMUJFWSA-N 2 0 244.379 0.705 20 0 BCADRP CC(C)OC[C@H](O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000923295849 644331248 /nfs/dbraw/zinc/33/12/48/644331248.db2.gz IXMBYPQMININRO-NEPJUHHUSA-N 2 0 230.352 0.489 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000923295725 644331815 /nfs/dbraw/zinc/33/18/15/644331815.db2.gz FSZJIUBEKFTBFZ-GHMZBOCLSA-N 2 0 218.341 0.347 20 0 BCADRP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)CC(C)(C)C[NH3+] ZINC000923294428 644332171 /nfs/dbraw/zinc/33/21/71/644332171.db2.gz LNWKIUCOJLFOBU-NSHDSACASA-N 3 0 241.379 0.282 20 0 BCADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H](O)Cn1cccn1 ZINC000923295800 644332589 /nfs/dbraw/zinc/33/25/89/644332589.db2.gz HSBLRNHVWIOLJO-NEPJUHHUSA-N 2 0 240.351 0.207 20 0 BCADRP CSC[C@@H](O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000923295338 644333004 /nfs/dbraw/zinc/33/30/04/644333004.db2.gz YANYDBIGUFZEFV-ILDUYXDCSA-N 2 0 232.393 0.912 20 0 BCADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923295917 644333352 /nfs/dbraw/zinc/33/33/52/644333352.db2.gz KHRAEVZGERWZDI-NEPJUHHUSA-N 3 0 241.379 0.328 20 0 BCADRP CC(C)OCC[C@H](O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000923296503 644334565 /nfs/dbraw/zinc/33/45/65/644334565.db2.gz UALSAVJMLLSKHK-STQMWFEESA-N 2 0 244.379 0.879 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CN(CCC[NH2+]C2CC2)CCO1 ZINC000923296136 644336148 /nfs/dbraw/zinc/33/61/48/644336148.db2.gz CYSOTNKFWZAMEX-PWSUYJOCSA-N 2 0 227.352 0.177 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923301180 644337892 /nfs/dbraw/zinc/33/78/92/644337892.db2.gz PJNWXOGIWTYFAR-VXGBXAGGSA-N 2 0 240.347 0.476 20 0 BCADRP C[N@H+](C[C@H]1CCCO1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923301255 644337913 /nfs/dbraw/zinc/33/79/13/644337913.db2.gz RVVCGKNUJBIHHL-NEPJUHHUSA-N 2 0 240.347 0.476 20 0 BCADRP CCCC[N@H+](CC)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923300513 644338131 /nfs/dbraw/zinc/33/81/31/644338131.db2.gz TXMBZPAVIXZELY-DCAQKATOSA-N 2 0 200.326 0.959 20 0 BCADRP CC[N@H+](C[C@@H]1CCCO1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923308204 644338288 /nfs/dbraw/zinc/33/82/88/644338288.db2.gz GKMLGDLLUNHATO-BJDJZHNGSA-N 2 0 228.336 0.338 20 0 BCADRP COC[C@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923312099 644340065 /nfs/dbraw/zinc/34/00/65/644340065.db2.gz ARGDSRVZAVAHJK-NWDGAFQWSA-N 2 0 240.347 0.333 20 0 BCADRP C[C@@H]1COC[C@@H](C)[NH+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923314164 644340559 /nfs/dbraw/zinc/34/05/59/644340559.db2.gz RBFZAFJFMYNGHT-UTUOFQBUSA-N 2 0 240.347 0.474 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@@H](C)CO1 ZINC000923304012 644341415 /nfs/dbraw/zinc/34/14/15/644341415.db2.gz AZKYHCPHSSMWDR-TUAOUCFPSA-N 2 0 240.347 0.474 20 0 BCADRP COC[C@@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923312101 644341620 /nfs/dbraw/zinc/34/16/20/644341620.db2.gz ARGDSRVZAVAHJK-VXGBXAGGSA-N 2 0 240.347 0.333 20 0 BCADRP CC1(C)C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923305895 644341968 /nfs/dbraw/zinc/34/19/68/644341968.db2.gz LDYLDLLQUPACHJ-NSHDSACASA-N 2 0 240.347 0.476 20 0 BCADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCCOCC1 ZINC000923306469 644342169 /nfs/dbraw/zinc/34/21/69/644342169.db2.gz LJOWMLKYHYJNSA-NSHDSACASA-N 2 0 226.320 0.087 20 0 BCADRP OCCC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923317111 644343772 /nfs/dbraw/zinc/34/37/72/644343772.db2.gz YTGGKYKSWZVJFI-LBPRGKRZSA-N 2 0 240.347 0.212 20 0 BCADRP C[C@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1C ZINC000923317155 644344761 /nfs/dbraw/zinc/34/47/61/644344761.db2.gz VBSNDMQZPGRNBM-GRYCIOLGSA-N 2 0 224.348 0.953 20 0 BCADRP CCOC[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923315031 644344915 /nfs/dbraw/zinc/34/49/15/644344915.db2.gz CLMLWNPUNFPSTO-CYDGBPFRSA-N 2 0 242.363 0.586 20 0 BCADRP CN(C[C@H]1CCC[N@H+](C)C1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923321081 644348437 /nfs/dbraw/zinc/34/84/37/644348437.db2.gz JZUQGTODMOZERF-CYDGBPFRSA-N 2 0 241.379 0.111 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000923323489 644351397 /nfs/dbraw/zinc/35/13/97/644351397.db2.gz ZUIHCCIPXDDVNP-CYDGBPFRSA-N 2 0 239.363 0.007 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CN(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923323094 644352636 /nfs/dbraw/zinc/35/26/36/644352636.db2.gz QIIXCOYDDWJYJL-RNJOBUHISA-N 2 0 241.379 0.253 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000923333125 644355004 /nfs/dbraw/zinc/35/50/04/644355004.db2.gz UOGKWIUEGZCPHS-IVZWLZJFSA-N 2 0 218.366 0.379 20 0 BCADRP CSC[C@@H](O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000923333997 644355466 /nfs/dbraw/zinc/35/54/66/644355466.db2.gz FBOYKKGLOSSLFQ-QWRGUYRKSA-N 2 0 232.393 0.784 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000923332466 644355618 /nfs/dbraw/zinc/35/56/18/644355618.db2.gz QFRZHEICDZIKAY-WDEREUQCSA-N 2 0 211.353 0.798 20 0 BCADRP CSC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000923333733 644355641 /nfs/dbraw/zinc/35/56/41/644355641.db2.gz RVMHUFRKEIJQNE-ZDCRXTMVSA-N 2 0 230.377 0.379 20 0 BCADRP CCOCC[C@H](O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000923334677 644356728 /nfs/dbraw/zinc/35/67/28/644356728.db2.gz JCWDTYODXWZRSN-STQMWFEESA-N 2 0 244.379 0.848 20 0 BCADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000923332027 644359538 /nfs/dbraw/zinc/35/95/38/644359538.db2.gz OFGQGSZGSCZBCX-XQQFMLRXSA-N 2 0 244.379 0.832 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000923348405 644360530 /nfs/dbraw/zinc/36/05/30/644360530.db2.gz GFYIFMLLBYMPOH-QWRGUYRKSA-N 2 0 232.393 0.771 20 0 BCADRP C[C@@H]1[NH2+]CCN(CCC[NH2+]C2CC2)[C@H]1C ZINC000923345745 644364256 /nfs/dbraw/zinc/36/42/56/644364256.db2.gz MHBWEBQKCAWNIP-QWRGUYRKSA-N 2 0 211.353 0.811 20 0 BCADRP CC1([NH3+])CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000923346315 644364696 /nfs/dbraw/zinc/36/46/96/644364696.db2.gz PDTVDIVPXSSRBU-NSHDSACASA-N 2 0 238.335 0.057 20 0 BCADRP CCOCCOCC[NH+]1CCC(C)([NH3+])CC1 ZINC000923345657 644365037 /nfs/dbraw/zinc/36/50/37/644365037.db2.gz KWRQURQCDMGMRC-UHFFFAOYSA-N 2 0 230.352 0.853 20 0 BCADRP C[C@H]1[NH2+]CCN(CCC[NH2+]C2CC2)[C@@H]1C ZINC000923345743 644365204 /nfs/dbraw/zinc/36/52/04/644365204.db2.gz MHBWEBQKCAWNIP-GHMZBOCLSA-N 2 0 211.353 0.811 20 0 BCADRP CC(C)OCC[C@H](O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000923344533 644365649 /nfs/dbraw/zinc/36/56/49/644365649.db2.gz DDOPPSWOUPOERE-LBPRGKRZSA-N 2 0 244.379 0.976 20 0 BCADRP CC1([NH3+])CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923347103 644365881 /nfs/dbraw/zinc/36/58/81/644365881.db2.gz WGDCRNJRTDSEHZ-LLVKDONJSA-N 3 0 239.363 0.178 20 0 BCADRP CO[C@@H](CNC(C[NH3+])C[NH3+])C1CCCC1 ZINC000923358399 644366423 /nfs/dbraw/zinc/36/64/23/644366423.db2.gz AFUNFOPGENNCPX-NSHDSACASA-N 2 0 215.341 0.067 20 0 BCADRP [NH3+]CC(C[NH3+])NCCOc1cccc(F)c1 ZINC000923351118 644366671 /nfs/dbraw/zinc/36/66/71/644366671.db2.gz GUMTYNURFMMIKC-UHFFFAOYSA-N 2 0 227.283 0.080 20 0 BCADRP CC1(C)CC[C@H](CNC(C[NH3+])C[NH3+])OC1 ZINC000923359064 644369029 /nfs/dbraw/zinc/36/90/29/644369029.db2.gz KSNZLDHESSZTIH-SNVBAGLBSA-N 2 0 215.341 0.067 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1cccc(OC(F)F)c1 ZINC000923352649 644370281 /nfs/dbraw/zinc/37/02/81/644370281.db2.gz ZAVSMWSWLKXACR-UHFFFAOYSA-N 2 0 245.273 0.664 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1coc(-c2ccccc2)n1 ZINC000923353615 644370324 /nfs/dbraw/zinc/37/03/24/644370324.db2.gz YZIRBUIXXJESTN-UHFFFAOYSA-N 2 0 246.314 0.717 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923356203 644373485 /nfs/dbraw/zinc/37/34/85/644373485.db2.gz RAPIOXMSRDQLOY-NWDGAFQWSA-N 2 0 244.404 0.786 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1cc(C(F)(F)F)co1 ZINC000923355606 644373759 /nfs/dbraw/zinc/37/37/59/644373759.db2.gz BHLJKZSRYVLMKH-UHFFFAOYSA-N 2 0 237.225 0.674 20 0 BCADRP CCOCC[C@H](O)C[N@H+](C)C1CC([NH3+])C1 ZINC000923363312 644376606 /nfs/dbraw/zinc/37/66/06/644376606.db2.gz RNSCQGMWABEBLD-ILDUYXDCSA-N 2 0 216.325 0.195 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923365904 644379285 /nfs/dbraw/zinc/37/92/85/644379285.db2.gz IGLPOIIQRZRKDE-RYUDHWBXSA-N 2 0 228.336 0.069 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923362601 644385767 /nfs/dbraw/zinc/38/57/67/644385767.db2.gz PGRPNCQLTGEQDZ-JHJVBQTASA-N 2 0 242.363 0.315 20 0 BCADRP C[C@@H]1[C@H](C)OCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923373784 644388303 /nfs/dbraw/zinc/38/83/03/644388303.db2.gz RNJHVUPZGGXVFZ-GRYCIOLGSA-N 2 0 240.347 0.474 20 0 BCADRP CO[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@@H]1C ZINC000923374589 644388487 /nfs/dbraw/zinc/38/84/87/644388487.db2.gz ZWZQDIOMJFGLJC-UHFZAUJKSA-N 2 0 228.336 0.194 20 0 BCADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCO)CC1 ZINC000923376421 644390979 /nfs/dbraw/zinc/39/09/79/644390979.db2.gz XJMATSSFTVMOMG-RYUDHWBXSA-N 2 0 228.336 0.197 20 0 BCADRP C[C@H](O)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000923379739 644391362 /nfs/dbraw/zinc/39/13/62/644391362.db2.gz RPPRJWYXNGENMK-WCFLWFBJSA-N 2 0 242.363 0.586 20 0 BCADRP C[C@H](O)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000923379732 644392255 /nfs/dbraw/zinc/39/22/55/644392255.db2.gz RPPRJWYXNGENMK-CYZMBNFOSA-N 2 0 242.363 0.586 20 0 BCADRP COC[C@@H]1CCCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923376809 644392619 /nfs/dbraw/zinc/39/26/19/644392619.db2.gz PEGJUDVCEXGNLV-VOAKCMCISA-N 2 0 242.363 0.586 20 0 BCADRP CC(C)CC[C@@H](O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000923377692 644392623 /nfs/dbraw/zinc/39/26/23/644392623.db2.gz AVASNJZNZBNXDS-OLZOCXBDSA-N 2 0 244.379 0.833 20 0 BCADRP COC[C@@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000923381494 644393287 /nfs/dbraw/zinc/39/32/87/644393287.db2.gz DOXPAEPRWMTMOQ-USZNOCQGSA-N 2 0 230.352 0.299 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NCCC[NH2+]C1CC1 ZINC000923383306 644393556 /nfs/dbraw/zinc/39/35/56/644393556.db2.gz YQGRHDLWDLMUTH-VXGBXAGGSA-N 2 0 211.353 0.988 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923383308 644393821 /nfs/dbraw/zinc/39/38/21/644393821.db2.gz YUJVNMIYLYSINW-IJLUTSLNSA-N 3 0 239.363 0.224 20 0 BCADRP CC(C)CC[C@@H](O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000923383068 644394080 /nfs/dbraw/zinc/39/40/80/644394080.db2.gz WPILNDGQECBIHC-GFCCVEGCSA-N 2 0 244.379 0.569 20 0 BCADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923385310 644394668 /nfs/dbraw/zinc/39/46/68/644394668.db2.gz ZXDYGVSBYTYWHV-UTUOFQBUSA-N 2 0 240.347 0.210 20 0 BCADRP C(C[NH2+]C1CC1)CN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000923384782 644396169 /nfs/dbraw/zinc/39/61/69/644396169.db2.gz NBAGBPZDBAYFTA-CHWSQXEVSA-N 2 0 239.363 0.191 20 0 BCADRP C[N@H+](CCCn1ccnc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923390906 644397416 /nfs/dbraw/zinc/39/74/16/644397416.db2.gz ZMWPCJKBGVTDNP-SRVKXCTJSA-N 2 0 238.335 0.056 20 0 BCADRP c1cn(C[C@@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)nn1 ZINC000923385707 644398092 /nfs/dbraw/zinc/39/80/92/644398092.db2.gz GRIGNFUOYBXQRZ-GFCCVEGCSA-N 2 0 249.362 0.742 20 0 BCADRP C[N@H+](CCOC(C)(C)C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923387684 644398635 /nfs/dbraw/zinc/39/86/35/644398635.db2.gz JUTZFEOBQJEWCT-DCAQKATOSA-N 2 0 230.352 0.584 20 0 BCADRP CSC[C@H](O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000923386848 644400213 /nfs/dbraw/zinc/40/02/13/644400213.db2.gz KMPUDGQATSNASI-LLVKDONJSA-N 2 0 232.393 0.771 20 0 BCADRP CCOCC[C@H](O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000923386226 644400246 /nfs/dbraw/zinc/40/02/46/644400246.db2.gz IAARGMKVUUKVIU-ZDUSSCGKSA-N 2 0 244.379 0.835 20 0 BCADRP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)O1 ZINC000923388870 644403319 /nfs/dbraw/zinc/40/33/19/644403319.db2.gz LBLPLMVWMROKEJ-DGORSVRFSA-N 2 0 228.336 0.336 20 0 BCADRP COCCC1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923399032 644405098 /nfs/dbraw/zinc/40/50/98/644405098.db2.gz PMOOFFMZAIRDDY-AVGNSLFASA-N 2 0 242.363 0.586 20 0 BCADRP [NH3+]CCCCCCN1CCC[C@H]([NH2+]CCO)C1 ZINC000923408096 644409629 /nfs/dbraw/zinc/40/96/29/644409629.db2.gz BIRCBTQKWXEVHP-ZDUSSCGKSA-N 2 0 243.395 0.552 20 0 BCADRP CCOCCOCCN(C)C[C@@H](C)[NH3+] ZINC000923410306 644411618 /nfs/dbraw/zinc/41/16/18/644411618.db2.gz XGVKEEGJNLUQNE-SNVBAGLBSA-N 2 0 204.314 0.319 20 0 BCADRP CSC[C@@H](O)CN1CCCCC[C@H]([NH3+])C1 ZINC000923410404 644412227 /nfs/dbraw/zinc/41/22/27/644412227.db2.gz GTWPJBFWAHDXBD-QWRGUYRKSA-N 2 0 232.393 0.914 20 0 BCADRP C[C@H](O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000923411973 644414127 /nfs/dbraw/zinc/41/41/27/644414127.db2.gz VEHXCHLFIIZYMO-WCQYABFASA-N 2 0 242.363 0.458 20 0 BCADRP C[C@@H]1CN(CCC[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000923412615 644414232 /nfs/dbraw/zinc/41/42/32/644414232.db2.gz RTAIFHMDNLIRED-GHMZBOCLSA-N 2 0 211.353 0.655 20 0 BCADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000923411392 644414692 /nfs/dbraw/zinc/41/46/92/644414692.db2.gz OMVYIVCOWAYJCX-RWMBFGLXSA-N 2 0 244.379 0.547 20 0 BCADRP CSC[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923421907 644416843 /nfs/dbraw/zinc/41/68/43/644416843.db2.gz PEFIGNNRHFUZTA-HRDYMLBCSA-N 2 0 218.366 0.426 20 0 BCADRP CC(=O)[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923423007 644418751 /nfs/dbraw/zinc/41/87/51/644418751.db2.gz YMHLREZRYBEYJU-BJDJZHNGSA-N 2 0 226.320 0.138 20 0 BCADRP CCOCC[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923422805 644420039 /nfs/dbraw/zinc/42/00/39/644420039.db2.gz SGNIUDSHLROUNN-GARJFASQSA-N 2 0 230.352 0.489 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@H](CF)C2)C1 ZINC000923423710 644420597 /nfs/dbraw/zinc/42/05/97/644420597.db2.gz MKJVCYFVVKVEPE-KATARQTJSA-N 2 0 202.273 0.128 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000923427110 644421829 /nfs/dbraw/zinc/42/18/29/644421829.db2.gz RCVUHNPCNNDGEZ-RWMBFGLXSA-N 2 0 242.363 0.315 20 0 BCADRP CC1(C)CN(CCC[NH2+]C2CC2)C[C@H]1[NH3+] ZINC000923430189 644421865 /nfs/dbraw/zinc/42/18/65/644421865.db2.gz JKNZUJQXQFWLGG-LLVKDONJSA-N 2 0 211.353 0.798 20 0 BCADRP C[NH2+]C[C@@H]1CCCCN1C[C@H](O)CSC ZINC000923429820 644421931 /nfs/dbraw/zinc/42/19/31/644421931.db2.gz FLPGAILYMWFYHA-QWRGUYRKSA-N 2 0 232.393 0.784 20 0 BCADRP CCCCOC[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923419474 644425281 /nfs/dbraw/zinc/42/52/81/644425281.db2.gz APPFANBUKVWOSJ-UTUOFQBUSA-N 2 0 244.379 0.879 20 0 BCADRP C[C@H]1COCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923432711 644426646 /nfs/dbraw/zinc/42/66/46/644426646.db2.gz IPJUJZRAGCWGJO-NEPJUHHUSA-N 2 0 240.347 0.333 20 0 BCADRP C[C@@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923432750 644427036 /nfs/dbraw/zinc/42/70/36/644427036.db2.gz JMKBEIGVYJGERS-NEPJUHHUSA-N 2 0 240.347 0.476 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1[C@@H](C)C[NH2+][C@@H](C)[C@@H]1C ZINC000923435505 644428057 /nfs/dbraw/zinc/42/80/57/644428057.db2.gz IPPFLAHWGVAQTP-MOLYVOAJSA-N 2 0 225.380 0.913 20 0 BCADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000923436288 644428868 /nfs/dbraw/zinc/42/88/68/644428868.db2.gz OWUUTBHRMWBCNO-HTFCKZLJSA-N 2 0 229.343 0.757 20 0 BCADRP CC(C)=CCC[N@@H+]1CCNCC[NH2+]CC1 ZINC000923460437 644438465 /nfs/dbraw/zinc/43/84/65/644438465.db2.gz NUBPKCBJJROCFG-UHFFFAOYSA-N 2 0 211.353 0.838 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000923455150 644434709 /nfs/dbraw/zinc/43/47/09/644434709.db2.gz SEODDSUAERALSR-FIQHERPVSA-N 2 0 227.327 0.370 20 0 BCADRP Cc1nc(C)c(CN2CC[NH2+]CC[NH2+]CC2)o1 ZINC000923460283 644438521 /nfs/dbraw/zinc/43/85/21/644438521.db2.gz MCUYJZOFMITKQZ-UHFFFAOYSA-N 2 0 238.335 0.286 20 0 BCADRP CC[NH+](CC)CCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923459368 644439682 /nfs/dbraw/zinc/43/96/82/644439682.db2.gz GXMOKUINIOQGQI-UHFFFAOYSA-N 3 0 242.411 0.213 20 0 BCADRP O[C@H](CN1CC[NH2+]CC[NH2+]CC1)c1ccccc1 ZINC000923460452 644441713 /nfs/dbraw/zinc/44/17/13/644441713.db2.gz OGGSRZCXNNUFKU-CQSZACIVSA-N 2 0 249.358 0.215 20 0 BCADRP C[NH2+]CCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451992 644442306 /nfs/dbraw/zinc/44/23/06/644442306.db2.gz RPQUPDZVFIASNW-LBPRGKRZSA-N 3 0 241.379 0.426 20 0 BCADRP Cc1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923465885 644442835 /nfs/dbraw/zinc/44/28/35/644442835.db2.gz FRZORDQKRDEBMZ-UHFFFAOYSA-N 2 0 233.359 0.990 20 0 BCADRP Fc1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923465625 644443565 /nfs/dbraw/zinc/44/35/65/644443565.db2.gz AXQZTHJYBUOAFT-UHFFFAOYSA-N 2 0 237.322 0.821 20 0 BCADRP c1ccc(OCCN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923466246 644444187 /nfs/dbraw/zinc/44/41/87/644444187.db2.gz LCYWRDBICSIQHR-UHFFFAOYSA-N 2 0 249.358 0.560 20 0 BCADRP Cc1ncccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460077 644444468 /nfs/dbraw/zinc/44/44/68/644444468.db2.gz PGROSHMRFLKTKE-UHFFFAOYSA-N 2 0 234.347 0.385 20 0 BCADRP c1csc(CN2CC[NH2+]CC[NH2+]CC2)n1 ZINC000923462021 644447198 /nfs/dbraw/zinc/44/71/98/644447198.db2.gz AXDQUGDITFDRHF-UHFFFAOYSA-N 2 0 226.349 0.138 20 0 BCADRP [NH3+]CCCCCCCN1CCC[C@]([NH3+])(CO)C1 ZINC000923474247 644450648 /nfs/dbraw/zinc/45/06/48/644450648.db2.gz ZJMTZMUFPOBCMO-CYBMUJFWSA-N 2 0 243.395 0.681 20 0 BCADRP Cc1nnc([C@H](C)[N@@H+]2CC[C@H](CC[NH3+])C2)[nH]1 ZINC000923480596 644458285 /nfs/dbraw/zinc/45/82/85/644458285.db2.gz JNYGTTAVJSGOBN-WPRPVWTQSA-N 2 0 223.324 0.845 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000923482296 644459711 /nfs/dbraw/zinc/45/97/11/644459711.db2.gz YGOAALOVHXCGLD-NWDGAFQWSA-N 3 0 211.353 0.657 20 0 BCADRP Cn1c(CN2CC[C@H](CC[NH3+])C2)nnc1C1CC1 ZINC000923482001 644459775 /nfs/dbraw/zinc/45/97/75/644459775.db2.gz BPLQMMCNIQIFQI-JTQLQIEISA-N 2 0 249.362 0.863 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000923481033 644459954 /nfs/dbraw/zinc/45/99/54/644459954.db2.gz FTHWSVZKXSIZGX-LBPRGKRZSA-N 2 0 239.363 0.573 20 0 BCADRP Cc1nonc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923488122 644461148 /nfs/dbraw/zinc/46/11/48/644461148.db2.gz DNKLXCDUWRYZPQ-WCBMZHEXSA-N 2 0 224.308 0.795 20 0 BCADRP CCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923485157 644462398 /nfs/dbraw/zinc/46/23/98/644462398.db2.gz PIEXMPDSNJDYDG-WDEREUQCSA-N 2 0 228.336 0.999 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000923484287 644462903 /nfs/dbraw/zinc/46/29/03/644462903.db2.gz XSQIPIZUSKUATA-LLVKDONJSA-N 3 0 211.353 0.657 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495462 644463283 /nfs/dbraw/zinc/46/32/83/644463283.db2.gz WCPBJSOSVLKUSP-VXGBXAGGSA-N 2 0 241.379 0.772 20 0 BCADRP C[C@H]1C[N@H+](CCc2cnn(C)c2)CC[C@H]1C[NH3+] ZINC000923491116 644465023 /nfs/dbraw/zinc/46/50/23/644465023.db2.gz RBWBHTPPAJYZIS-AAEUAGOBSA-N 2 0 236.363 0.879 20 0 BCADRP CCN1CC[C@H]([N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923491074 644466089 /nfs/dbraw/zinc/46/60/89/644466089.db2.gz QNZOGLWPGMNNKG-WOPDTQHZSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000923491549 644466884 /nfs/dbraw/zinc/46/68/84/644466884.db2.gz STYARVMYLATJIA-UPJWGTAASA-N 3 0 225.380 0.903 20 0 BCADRP CON1CC[C@H]([N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923492250 644468040 /nfs/dbraw/zinc/46/80/40/644468040.db2.gz MLLGRVKQUJLQNW-MXWKQRLJSA-N 2 0 241.335 0.065 20 0 BCADRP C[C@@H]1C[N@H+](CC2(O)CCOCC2)CC[C@H]1C[NH3+] ZINC000923492934 644468304 /nfs/dbraw/zinc/46/83/04/644468304.db2.gz ZPIRAUAZPMKXPK-NEPJUHHUSA-N 2 0 242.363 0.445 20 0 BCADRP C[C@@H]1C[N@@H+]([C@H]2CCOC2=O)CC[C@@H]1C[NH3+] ZINC000923496988 644470758 /nfs/dbraw/zinc/47/07/58/644470758.db2.gz DEBHNZPTIQXOHQ-BBBLOLIVSA-N 2 0 212.293 0.219 20 0 BCADRP COC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923497532 644472568 /nfs/dbraw/zinc/47/25/68/644472568.db2.gz LUQWFDKFLZZYQD-RKDXNWHRSA-N 2 0 200.282 0.076 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CC[C@H]1C[NH3+] ZINC000923499851 644472833 /nfs/dbraw/zinc/47/28/33/644472833.db2.gz MMDINTJWVPOXNK-WOPDTQHZSA-N 3 0 211.353 0.513 20 0 BCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499065 644473216 /nfs/dbraw/zinc/47/32/16/644473216.db2.gz QSHIJIOCGHVUFY-OUAUKWLOSA-N 2 0 227.352 0.380 20 0 BCADRP C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)O[C@H]1CCOC1 ZINC000923515667 644480566 /nfs/dbraw/zinc/48/05/66/644480566.db2.gz JXGFDMBYUYXNQW-XQQFMLRXSA-N 2 0 240.347 0.333 20 0 BCADRP Cn1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1=O ZINC000923517211 644481307 /nfs/dbraw/zinc/48/13/07/644481307.db2.gz AXQVFWNNMNRYAO-QWHCGFSZSA-N 2 0 247.342 0.427 20 0 BCADRP CN1CCC[C@H]([N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923518168 644482824 /nfs/dbraw/zinc/48/28/24/644482824.db2.gz AUJFAKPHEHWGQP-TUAOUCFPSA-N 2 0 237.347 0.149 20 0 BCADRP C[NH2+]CCC[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000923526368 644485173 /nfs/dbraw/zinc/48/51/73/644485173.db2.gz OYZBXMUQXPJMHJ-LLVKDONJSA-N 2 0 241.335 0.416 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534794 644487101 /nfs/dbraw/zinc/48/71/01/644487101.db2.gz XSXXOVFCRSUFSL-QWHCGFSZSA-N 2 0 241.379 0.175 20 0 BCADRP C[NH2+]CCCN(C)Cc1cccc(=O)[nH]1 ZINC000923553580 644495456 /nfs/dbraw/zinc/49/54/56/644495456.db2.gz KUAOICUPBRTVDE-UHFFFAOYSA-N 2 0 209.293 0.829 20 0 BCADRP [NH3+]CC[C@H]1CN(CC[NH3+])c2ccccc21 ZINC000923553811 644495764 /nfs/dbraw/zinc/49/57/64/644495764.db2.gz CHYWXFSIYUYRNO-JTQLQIEISA-N 2 0 205.305 0.898 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000250092272 644747448 /nfs/dbraw/zinc/74/74/48/644747448.db2.gz QJQQUOYFELTGDU-RTXFEEFZSA-N 2 0 247.342 0.801 20 0 BCADRP CC(C)[C@H]1CN(C[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000251360968 644803372 /nfs/dbraw/zinc/80/33/72/644803372.db2.gz DGPXYKOZUWSLQN-VXGBXAGGSA-N 2 0 211.353 0.668 20 0 BCADRP O[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000252453562 644853035 /nfs/dbraw/zinc/85/30/35/644853035.db2.gz NSNFNSQOWRERKF-MELADBBJSA-N 2 0 232.327 0.871 20 0 BCADRP CC[S@](=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703325 644885550 /nfs/dbraw/zinc/88/55/50/644885550.db2.gz VEIAJRCNTSONLX-WQGACYEGSA-N 2 0 244.404 0.971 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000304378264 644899155 /nfs/dbraw/zinc/89/91/55/644899155.db2.gz PZZTZWDUXCWODH-LLVKDONJSA-N 2 0 225.336 0.278 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000253203208 644943366 /nfs/dbraw/zinc/94/33/66/644943366.db2.gz ZGXHTAFNRKJBLS-SDDRHHMPSA-N 2 0 230.352 0.301 20 0 BCADRP CN(C(=O)C[C@@H]([NH3+])C1CC1)C1CC[NH2+]CC1 ZINC000832388323 645134465 /nfs/dbraw/zinc/13/44/65/645134465.db2.gz KURKBFQMTDJXAP-LLVKDONJSA-N 2 0 225.336 0.324 20 0 BCADRP CC1([NH3+])CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000834589695 645148751 /nfs/dbraw/zinc/14/87/51/645148751.db2.gz RXPDIMVLXQVKAO-SNVBAGLBSA-N 2 0 225.336 0.454 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000841857150 645229782 /nfs/dbraw/zinc/22/97/82/645229782.db2.gz RDXKLDOENXNGHJ-ZJUUUORDSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000841856193 645230724 /nfs/dbraw/zinc/23/07/24/645230724.db2.gz LJXZXWQSBJSWFH-KWQFWETISA-N 2 0 231.315 0.178 20 0 BCADRP [NH3+][C@H](CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000841857537 645231054 /nfs/dbraw/zinc/23/10/54/645231054.db2.gz UWZPBIUKYOKMEE-QJPTWQEYSA-N 2 0 237.347 0.324 20 0 BCADRP CC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000841854913 645231302 /nfs/dbraw/zinc/23/13/02/645231302.db2.gz BWURODMLXRRXIQ-CYBMUJFWSA-N 2 0 247.342 0.769 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000841856197 645231411 /nfs/dbraw/zinc/23/14/11/645231411.db2.gz LJXZXWQSBJSWFH-LDYMZIIASA-N 2 0 231.315 0.178 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000843507284 645293028 /nfs/dbraw/zinc/29/30/28/645293028.db2.gz LLPLFGJQJHDHEF-UTLUCORTSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]CCCCCCNC(=O)C[NH2+]CC1CC1 ZINC000843506447 645293116 /nfs/dbraw/zinc/29/31/16/645293116.db2.gz UVRBUROXHCSXPV-UHFFFAOYSA-N 2 0 227.352 0.621 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000843508636 645293458 /nfs/dbraw/zinc/29/34/58/645293458.db2.gz SZDPDOUGGCGAAP-MXWKQRLJSA-N 2 0 227.352 0.761 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@H]([NH3+])C1CC1 ZINC000843509520 645294218 /nfs/dbraw/zinc/29/42/18/645294218.db2.gz ZBOFSJLIJSITEL-XKSSXDPKSA-N 2 0 213.325 0.356 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000844187354 645316724 /nfs/dbraw/zinc/31/67/24/645316724.db2.gz GISIFHMDLBRPSI-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP CC[NH2+]CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000844187378 645316974 /nfs/dbraw/zinc/31/69/74/645316974.db2.gz HAWOHZLHHLRWSV-SNVBAGLBSA-N 2 0 229.368 0.688 20 0 BCADRP O=C1CCC2=C(CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)N1 ZINC000852753513 645488315 /nfs/dbraw/zinc/48/83/15/645488315.db2.gz CMOIALHNYDZNSG-NSHDSACASA-N 2 0 249.358 0.856 20 0 BCADRP CCO[C@H](CNC(=O)[C@@H]([NH3+])C(C)C)C[NH+](C)C ZINC000927782026 645658283 /nfs/dbraw/zinc/65/82/83/645658283.db2.gz XIVAOACVEBZBNJ-MNOVXSKESA-N 2 0 245.367 0.053 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000928425120 645740553 /nfs/dbraw/zinc/74/05/53/645740553.db2.gz HBSOCWRSQABMFL-OUAUKWLOSA-N 2 0 227.352 0.535 20 0 BCADRP C[C@@H]1[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000928432135 645745645 /nfs/dbraw/zinc/74/56/45/645745645.db2.gz PKNQRFXISXTPQT-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000928432138 645745784 /nfs/dbraw/zinc/74/57/84/645745784.db2.gz PKNQRFXISXTPQT-WOPDTQHZSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC[N@@H+]1C ZINC000928430498 645747035 /nfs/dbraw/zinc/74/70/35/645747035.db2.gz XTVHPTWWEXUBIV-ZDCRXTMVSA-N 2 0 248.330 0.722 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000928436432 645756531 /nfs/dbraw/zinc/75/65/31/645756531.db2.gz GCJIPUCYEWADAZ-IJLUTSLNSA-N 2 0 241.379 0.781 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]([NH3+])CC(F)F)C2 ZINC000877374634 645794293 /nfs/dbraw/zinc/79/42/93/645794293.db2.gz MDLNKPZWIPPQTG-VAOFZXAKSA-N 2 0 247.289 0.037 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877372605 645794313 /nfs/dbraw/zinc/79/43/13/645794313.db2.gz KFTQZWKWDNMWKA-JBLDHEPKSA-N 2 0 225.336 0.052 20 0 BCADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000928553218 645810101 /nfs/dbraw/zinc/81/01/01/645810101.db2.gz LSBWABZBTWAZFM-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@@H](C)C[NH3+] ZINC000884269751 645871669 /nfs/dbraw/zinc/87/16/69/645871669.db2.gz WRTLUNSAVCSUSC-DTWKUNHWSA-N 2 0 215.341 0.459 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000884270568 645872918 /nfs/dbraw/zinc/87/29/18/645872918.db2.gz OKZVJWMHUFFEGM-WOPDTQHZSA-N 2 0 241.379 0.735 20 0 BCADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)CO)CC1 ZINC000930143786 645916333 /nfs/dbraw/zinc/91/63/33/645916333.db2.gz AEVMKNDCSPUFOR-CYBMUJFWSA-N 2 0 244.379 0.393 20 0 BCADRP C[N@H+](CCN[C@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000925499675 645940079 /nfs/dbraw/zinc/94/00/79/645940079.db2.gz SGYRQWRIIBSHBU-LBPRGKRZSA-N 2 0 241.379 0.439 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@H]1COC[C@@H]1C ZINC000924653220 646087112 /nfs/dbraw/zinc/08/71/12/646087112.db2.gz HTXKVYOOYYFCHC-RYUDHWBXSA-N 2 0 230.352 0.579 20 0 BCADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1COC[C@@H]1C ZINC000925240377 646217988 /nfs/dbraw/zinc/21/79/88/646217988.db2.gz JKWPWCXWIJNPKZ-XQQFMLRXSA-N 2 0 244.379 0.968 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1COCCO1 ZINC000925486734 646296793 /nfs/dbraw/zinc/29/67/93/646296793.db2.gz UKTMHSJFALNKRE-IJLVLRJLSA-N 2 0 240.347 0.507 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C[C@H](O)[C@H](C)O)C[C@@H]1C ZINC000929779701 646309635 /nfs/dbraw/zinc/30/96/35/646309635.db2.gz HRXHZOXAYYDCMA-CYDGBPFRSA-N 2 0 244.379 0.533 20 0 BCADRP C[C@@H]1C[C@H](N[C@H]2C[NH2+]CCOC2)CC[N@@H+]1C ZINC000925515363 646310193 /nfs/dbraw/zinc/31/01/93/646310193.db2.gz HSMJNKFPKQBPJI-UTUOFQBUSA-N 2 0 227.352 0.047 20 0 BCADRP CC[NH+]1CCC(N[C@H]2C[NH2+]CCOC2)CC1 ZINC000925516555 646311588 /nfs/dbraw/zinc/31/15/88/646311588.db2.gz VIOQBIXVVQCGEW-LBPRGKRZSA-N 2 0 227.352 0.049 20 0 BCADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)[C@@H](C)O)C1 ZINC000929787692 646318243 /nfs/dbraw/zinc/31/82/43/646318243.db2.gz MJNIIHXGSQVADO-GRYCIOLGSA-N 2 0 230.352 0.002 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC000925534560 646319759 /nfs/dbraw/zinc/31/97/59/646319759.db2.gz MXGPDVMWYKKBPG-GMTAPVOTSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CCOC2)C[N@@H+]1C1CC1 ZINC000925543593 646325139 /nfs/dbraw/zinc/32/51/39/646325139.db2.gz VNFLTJAEJNHVBV-IJLUTSLNSA-N 2 0 239.363 0.190 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925553481 646329838 /nfs/dbraw/zinc/32/98/38/646329838.db2.gz SLKNMBNEYVNIBL-NTZNESFSSA-N 2 0 239.363 0.047 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925565735 646331732 /nfs/dbraw/zinc/33/17/32/646331732.db2.gz XKHSXDNVUZCYFI-GHMZBOCLSA-N 2 0 211.353 0.811 20 0 BCADRP COCCOC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925576080 646341126 /nfs/dbraw/zinc/34/11/26/646341126.db2.gz VDBVHELJALKJDA-QJPTWQEYSA-N 2 0 242.363 0.897 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000925611160 646360107 /nfs/dbraw/zinc/36/01/07/646360107.db2.gz AWXCLTWLZDGYQJ-NWDGAFQWSA-N 2 0 241.379 0.173 20 0 BCADRP C[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925610621 646360499 /nfs/dbraw/zinc/36/04/99/646360499.db2.gz IFIQYFAIUYBFHG-GUBZILKMSA-N 2 0 200.326 0.863 20 0 BCADRP C[C@@H](CN[C@@H]1C[NH2+]CCOC1)[NH+]1CCCCC1 ZINC000925613871 646361621 /nfs/dbraw/zinc/36/16/21/646361621.db2.gz UFXXNAYYLHYWOQ-QWHCGFSZSA-N 2 0 241.379 0.439 20 0 BCADRP OCC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC1 ZINC000925617636 646365299 /nfs/dbraw/zinc/36/52/99/646365299.db2.gz DEUUWYBABMIETN-SNIKSBKOSA-N 2 0 236.359 0.733 20 0 BCADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCc3ncnn3C2)C12CCC2 ZINC000925621749 646366899 /nfs/dbraw/zinc/36/68/99/646366899.db2.gz NKCDODAAYVBDOQ-AXFHLTTASA-N 2 0 247.346 0.452 20 0 BCADRP CC1(C)C[C@@H]([NH2+]C[C@]2(O)CCOC2)C[C@@H]([NH3+])C1 ZINC000925624781 646370561 /nfs/dbraw/zinc/37/05/61/646370561.db2.gz BYBQNTIHBMFZRV-NTZNESFSSA-N 2 0 242.363 0.633 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCOCCO ZINC000925632234 646376271 /nfs/dbraw/zinc/37/62/71/646376271.db2.gz PXUINFIJVIGFCR-JTQLQIEISA-N 2 0 216.325 0.116 20 0 BCADRP CC(C)[N@@H+](C)C[C@H](C)N[C@H]1C[NH2+]CCOC1 ZINC000925668033 646397822 /nfs/dbraw/zinc/39/78/22/646397822.db2.gz FNVZOEOTTCJIPJ-RYUDHWBXSA-N 2 0 229.368 0.293 20 0 BCADRP Cn1nncc1CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925672389 646401973 /nfs/dbraw/zinc/40/19/73/646401973.db2.gz IDWPWQVTDSFXEH-WOPDTQHZSA-N 2 0 249.362 0.681 20 0 BCADRP C[C@H]1NCCC[C@H]1[NH2+]CCC1(O)CCOCC1 ZINC000925672120 646402945 /nfs/dbraw/zinc/40/29/45/646402945.db2.gz UFHFDEKXAGMSQD-VXGBXAGGSA-N 2 0 242.363 0.648 20 0 BCADRP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C12CCC2 ZINC000925679955 646407523 /nfs/dbraw/zinc/40/75/23/646407523.db2.gz NQYQDELHNYUFRO-GUBZILKMSA-N 2 0 223.320 0.125 20 0 BCADRP C1[NH2+]CC1N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925689543 646411924 /nfs/dbraw/zinc/41/19/24/646411924.db2.gz BMLBMBBCZYFPAZ-STQMWFEESA-N 2 0 223.364 0.716 20 0 BCADRP Cc1nccn1CCC[N@@H+](C)C[C@@H](O)[C@H](C)O ZINC000930060583 646414685 /nfs/dbraw/zinc/41/46/85/646414685.db2.gz MRSANTBWVXXTGZ-CMPLNLGQSA-N 2 0 241.335 0.255 20 0 BCADRP NC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925693030 646418508 /nfs/dbraw/zinc/41/85/08/646418508.db2.gz QOIDFTIOEQANCB-VLEAKVRGSA-N 2 0 237.347 0.500 20 0 BCADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1C[C@@H](O)C1)[NH2+]2 ZINC000925693827 646419381 /nfs/dbraw/zinc/41/93/81/646419381.db2.gz SGJKFXBDENCPDG-PYZHKEBXSA-N 2 0 210.321 0.628 20 0 BCADRP C1[NH2+][C@@H]2[C@H](N[C@H]3CCC[NH2+]C3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000925697400 646421118 /nfs/dbraw/zinc/42/11/18/646421118.db2.gz FQGSPPAARJIYNN-RJRAAQABSA-N 2 0 221.348 0.324 20 0 BCADRP C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@H]1CC[NH2+]C1 ZINC000925697374 646422313 /nfs/dbraw/zinc/42/23/13/646422313.db2.gz FGCNDUJXXWMURQ-MCDVFOBDSA-N 2 0 221.348 0.182 20 0 BCADRP C[NH2+][C@@H](C)CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925700057 646423052 /nfs/dbraw/zinc/42/30/52/646423052.db2.gz NFUFJWQFIBOGLV-QWRGUYRKSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCC[NH2+][C@H]1C ZINC000925699621 646423503 /nfs/dbraw/zinc/42/35/03/646423503.db2.gz LHICHHFBLVZZNZ-NOOOWODRSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@H]([NH3+])CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925700749 646425127 /nfs/dbraw/zinc/42/51/27/646425127.db2.gz SLDDYQVDAKKURS-VLEAKVRGSA-N 2 0 211.353 0.700 20 0 BCADRP CCC([NH3+])(CC)CN[C@@H]1C[NH2+]CCOC1 ZINC000925700881 646425305 /nfs/dbraw/zinc/42/53/05/646425305.db2.gz XGAXMYOIQLXYSH-SNVBAGLBSA-N 2 0 215.341 0.082 20 0 BCADRP C[C@H]([NH3+])CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925700751 646425609 /nfs/dbraw/zinc/42/56/09/646425609.db2.gz SLDDYQVDAKKURS-ZRUFSTJUSA-N 2 0 211.353 0.700 20 0 BCADRP C[C@@H](N[C@H]1CC[NH2+]C12CCCC2)[C@H](C)[NH3+] ZINC000925702515 646426527 /nfs/dbraw/zinc/42/65/27/646426527.db2.gz AZTYTMUQQOEVMC-AXFHLTTASA-N 2 0 211.353 0.986 20 0 BCADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CNCCO2)C[C@@H]([NH3+])C1 ZINC000925704012 646428323 /nfs/dbraw/zinc/42/83/23/646428323.db2.gz FSHGCBAJXSEIIP-WOPDTQHZSA-N 2 0 241.379 0.470 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925707664 646432713 /nfs/dbraw/zinc/43/27/13/646432713.db2.gz MHWBPJQCECHYEP-LZRJYULZSA-N 3 0 235.375 0.700 20 0 BCADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C\CO ZINC000925708767 646432904 /nfs/dbraw/zinc/43/29/04/646432904.db2.gz RYXZEBWCMAKHTH-DCEODYAJSA-N 2 0 210.321 0.640 20 0 BCADRP C[C@H]([NH3+])[C@H](C)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925712409 646436362 /nfs/dbraw/zinc/43/63/62/646436362.db2.gz UOSCPKCZIGNJPL-AMDVPWGISA-N 2 0 209.337 0.308 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC1([NH3+])CCCC1 ZINC000925711750 646437655 /nfs/dbraw/zinc/43/76/55/646437655.db2.gz OFJIREQKUYDVRM-QWRGUYRKSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NCC1([NH3+])CCCC1 ZINC000925711749 646437739 /nfs/dbraw/zinc/43/77/39/646437739.db2.gz OFJIREQKUYDVRM-MNOVXSKESA-N 2 0 211.353 0.988 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925719719 646443981 /nfs/dbraw/zinc/44/39/81/646443981.db2.gz CCTHBUCJGSAIHR-IJLUTSLNSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925719733 646444575 /nfs/dbraw/zinc/44/45/75/646444575.db2.gz VIOFEKIWCJQQQH-QWRGUYRKSA-N 3 0 227.352 0.211 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925721011 646445773 /nfs/dbraw/zinc/44/57/73/646445773.db2.gz WMWXJFBXIFYCCR-KYXWUPHJSA-N 2 0 223.320 0.110 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC1([NH3+])CCOCC1 ZINC000925721336 646446901 /nfs/dbraw/zinc/44/69/01/646446901.db2.gz ZGXIZHBKYYVHDC-QWRGUYRKSA-N 2 0 227.352 0.224 20 0 BCADRP C1CC2(C1)[NH2+]CC[C@@H]2N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925722769 646448357 /nfs/dbraw/zinc/44/83/57/646448357.db2.gz LFNCZYYDQRPOJV-VZKILSJISA-N 2 0 247.386 0.857 20 0 BCADRP CC1(C)CC[C@@H](CN[C@@H]2C[NH2+]CCOC2)[NH2+]C1 ZINC000925726849 646451360 /nfs/dbraw/zinc/45/13/60/646451360.db2.gz XEBNVIVBIXFMES-NWDGAFQWSA-N 2 0 241.379 0.343 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925725582 646452390 /nfs/dbraw/zinc/45/23/90/646452390.db2.gz AUGGSVRQKIQHNQ-GWOFURMSSA-N 3 0 209.337 0.583 20 0 BCADRP CO[C@H]1C[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])C1 ZINC000925736415 646459767 /nfs/dbraw/zinc/45/97/67/646459767.db2.gz MPTWSHVVEIRPEV-NJMOYASZSA-N 2 0 242.363 0.753 20 0 BCADRP Nc1cc[nH+]c(CN[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000925765779 646467066 /nfs/dbraw/zinc/46/70/66/646467066.db2.gz FHFWPGLLORQFSN-GHMZBOCLSA-N 2 0 206.293 0.633 20 0 BCADRP [NH3+]C1CCC([NH2+][C@H](CO)C[C@@H]2CCCO2)CC1 ZINC000925767473 646468714 /nfs/dbraw/zinc/46/87/14/646468714.db2.gz PMSOAEARPJXYTA-TYUFSLCMSA-N 2 0 242.363 0.776 20 0 BCADRP OC[C@@H](C[C@@H]1CCCO1)[NH2+]C1CC[NH2+]CC1 ZINC000925768472 646468728 /nfs/dbraw/zinc/46/87/28/646468728.db2.gz VLJFRLLUQUBNBU-NEPJUHHUSA-N 2 0 228.336 0.258 20 0 BCADRP Nc1cc[nH+]c(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1 ZINC000925768777 646471479 /nfs/dbraw/zinc/47/14/79/646471479.db2.gz XCPCDNLSNCUPPJ-TUIFDTLZSA-N 2 0 244.342 0.750 20 0 BCADRP CC[C@H](N[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000925778454 646475216 /nfs/dbraw/zinc/47/52/16/646475216.db2.gz DECBUILXQMCWEN-NOOOWODRSA-N 2 0 211.353 0.715 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1nnc2ccccn21 ZINC000925780112 646476732 /nfs/dbraw/zinc/47/67/32/646476732.db2.gz OKSIYLBNZTZOIQ-QWRGUYRKSA-N 2 0 245.330 0.741 20 0 BCADRP COCCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925781444 646477840 /nfs/dbraw/zinc/47/78/40/646477840.db2.gz FBJGIQOUUJGDOJ-OUAUKWLOSA-N 2 0 200.326 0.999 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925783009 646479481 /nfs/dbraw/zinc/47/94/81/646479481.db2.gz APLLTWWRXFQZMD-GRYCIOLGSA-N 3 0 229.368 0.185 20 0 BCADRP C[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000925781984 646479814 /nfs/dbraw/zinc/47/98/14/646479814.db2.gz ZSXCMPFXCZAULV-WISYIIOYSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925782087 646479953 /nfs/dbraw/zinc/47/99/53/646479953.db2.gz KUNALTQOHUVQLB-OUAUKWLOSA-N 2 0 247.333 0.771 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000925785339 646481596 /nfs/dbraw/zinc/48/15/96/646481596.db2.gz WJZDYNBEXPPJTH-FDYHWXHSSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[NH2+]CC[C@H]1C ZINC000925786746 646482704 /nfs/dbraw/zinc/48/27/04/646482704.db2.gz VSGBHFJOHNFXQD-WISYIIOYSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000925788059 646483486 /nfs/dbraw/zinc/48/34/86/646483486.db2.gz XWPWESBMNLIBPZ-QNWHQSFQSA-N 2 0 225.380 0.820 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[NH2+]CC[C@H]1C ZINC000925786743 646483778 /nfs/dbraw/zinc/48/37/78/646483778.db2.gz VSGBHFJOHNFXQD-DDHJBXDOSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@@H]1COCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925811956 646489497 /nfs/dbraw/zinc/48/94/97/646489497.db2.gz LHECEIBSKGAMFW-DGCLKSJQSA-N 2 0 241.379 0.424 20 0 BCADRP C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)[C@H]1CCC[NH2+]1 ZINC000925812790 646490474 /nfs/dbraw/zinc/49/04/74/646490474.db2.gz PKDORBKJVKCCLR-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]C1CCN(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000925817062 646492309 /nfs/dbraw/zinc/49/23/09/646492309.db2.gz MIKZANMRNCXYPE-STQMWFEESA-N 3 0 240.395 0.269 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)[C@@H](C)O1 ZINC000925816818 646492797 /nfs/dbraw/zinc/49/27/97/646492797.db2.gz JNLUAUFNRZGSEG-WZRBSPASSA-N 2 0 241.379 0.565 20 0 BCADRP CCN1CCC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1=O ZINC000925828167 646499095 /nfs/dbraw/zinc/49/90/95/646499095.db2.gz VOAYGQJTXGRQIF-DCAQKATOSA-N 2 0 227.352 0.713 20 0 BCADRP Cc1cc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])nn1C ZINC000925835268 646503371 /nfs/dbraw/zinc/50/33/71/646503371.db2.gz REYQURHXDCVULH-VHSXEESVSA-N 2 0 224.352 0.986 20 0 BCADRP CCO[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)C[NH+](C)C ZINC000925836231 646504977 /nfs/dbraw/zinc/50/49/77/646504977.db2.gz JCJGWZHDTDMCHM-YNEHKIRRSA-N 2 0 243.395 0.813 20 0 BCADRP CCO[C@H](CN[C@@H](C)C1C[NH2+]C1)C[NH+](C)C ZINC000925841410 646508199 /nfs/dbraw/zinc/50/81/99/646508199.db2.gz QXSPBOLMGLFVMZ-CMPLNLGQSA-N 2 0 229.368 0.151 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000925874055 646524609 /nfs/dbraw/zinc/52/46/09/646524609.db2.gz GZSPECVSOGTVJZ-RWMBFGLXSA-N 2 0 242.363 0.899 20 0 BCADRP CCOCCOCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000925876206 646525916 /nfs/dbraw/zinc/52/59/16/646525916.db2.gz YVCJHBYFEHMKIU-RYUDHWBXSA-N 2 0 230.352 0.757 20 0 BCADRP Cc1ccc(NCC[NH2+][C@H](C)C2C[NH2+]C2)nc1 ZINC000925878270 646527029 /nfs/dbraw/zinc/52/70/29/646527029.db2.gz TYAWZENNHCYBGG-LLVKDONJSA-N 2 0 234.347 0.999 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCO[C@@H]2CCOC2)C1 ZINC000925876250 646527119 /nfs/dbraw/zinc/52/71/19/646527119.db2.gz ZYDRRJAIKAORHZ-IJLUTSLNSA-N 2 0 228.336 0.651 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOC1CCOCC1 ZINC000925877205 646527368 /nfs/dbraw/zinc/52/73/68/646527368.db2.gz FZCAOKAPKAHOGK-WDEREUQCSA-N 2 0 230.352 0.897 20 0 BCADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C12CCC2 ZINC000925880113 646529794 /nfs/dbraw/zinc/52/97/94/646529794.db2.gz OGELHLRZPFDCJG-RHYQMDGZSA-N 3 0 223.364 0.973 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](O)c1ccnn1C ZINC000925888886 646532856 /nfs/dbraw/zinc/53/28/56/646532856.db2.gz GGJGGJWVMRATCM-ZYHUDNBSSA-N 2 0 240.351 0.561 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCOCCO ZINC000926120599 646577697 /nfs/dbraw/zinc/57/76/97/646577697.db2.gz FWKYKNKTUAXGSV-FUNVUKJBSA-N 2 0 242.363 0.315 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+][C@H]1COC[C@H]1C ZINC000926150845 646584388 /nfs/dbraw/zinc/58/43/88/646584388.db2.gz OFIQPVGUHGLSNO-OLZOCXBDSA-N 2 0 244.379 0.969 20 0 BCADRP Cn1cncc1C[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000926443379 646640617 /nfs/dbraw/zinc/64/06/17/646640617.db2.gz OWPYSEKXGYAVSW-QYJAPNMZSA-N 2 0 234.347 0.850 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cnns2)C1 ZINC000723692543 711534848 /nfs/dbraw/zinc/53/48/48/711534848.db2.gz YWVDMZAJYSBKAH-QMMMGPOBSA-N 2 0 212.322 0.709 20 0 BCADRP CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)C1=O ZINC000723894825 711543684 /nfs/dbraw/zinc/54/36/84/711543684.db2.gz OZDVJPRPSRXXIK-UTUOFQBUSA-N 2 0 239.363 0.524 20 0 BCADRP Cc1cn(C)nc1C[NH+]1CCC(C[NH3+])CC1 ZINC000723962830 711547616 /nfs/dbraw/zinc/54/76/16/711547616.db2.gz ITHQUVHAPYNIKT-UHFFFAOYSA-N 2 0 222.336 0.899 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000309061088 711586078 /nfs/dbraw/zinc/58/60/78/711586078.db2.gz VXTZSZSVAWWENH-WDEREUQCSA-N 2 0 216.325 0.055 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N(C)C1CCC([NH3+])CC1 ZINC000851679185 711686467 /nfs/dbraw/zinc/68/64/67/711686467.db2.gz AALBYVAZTOZPSP-KPPDAEKUSA-N 2 0 242.367 0.506 20 0 BCADRP CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000722184107 711718431 /nfs/dbraw/zinc/71/84/31/711718431.db2.gz PHKARLOFYWQJHJ-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@H](CN1CCOCC1)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000925819370 711755676 /nfs/dbraw/zinc/75/56/76/711755676.db2.gz AZZNTYNQSXUVSO-FRRDWIJNSA-N 2 0 243.395 0.813 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000925879372 711762115 /nfs/dbraw/zinc/76/21/15/711762115.db2.gz CMFFZGKEPQRVJH-QJPTWQEYSA-N 3 0 211.353 0.846 20 0 BCADRP CC(C)OC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000158170138 711832078 /nfs/dbraw/zinc/83/20/78/711832078.db2.gz XBRAAYKMEQSXBP-XQQFMLRXSA-N 2 0 244.379 0.845 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000070589916 711895681 /nfs/dbraw/zinc/89/56/81/711895681.db2.gz HZJWVKYYRNFYMD-JQWIXIFHSA-N 2 0 230.352 0.314 20 0 BCADRP COC[C@@H](C[N@H+](C)C[C@@H](O)C[NH3+])C(C)C ZINC000721911785 711917542 /nfs/dbraw/zinc/91/75/42/711917542.db2.gz KKTWGOMPAIEYSZ-MNOVXSKESA-N 2 0 218.341 0.156 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC2=[NH+]CCCCN2)C1 ZINC000700176399 711987206 /nfs/dbraw/zinc/98/72/06/711987206.db2.gz ZBHURYXBHWFOGT-JTQLQIEISA-N 2 0 210.325 0.267 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)C2CC([NH3+])C2)C1 ZINC000703500053 712077170 /nfs/dbraw/zinc/07/71/70/712077170.db2.gz CMCRPYCHMOTGMG-ILDUYXDCSA-N 2 0 225.336 0.324 20 0 BCADRP C[N@H+](CCn1cccn1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000707482499 712172546 /nfs/dbraw/zinc/17/25/46/712172546.db2.gz HWGLZLISHSAUPN-NEPJUHHUSA-N 2 0 222.336 0.942 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000708367937 712191378 /nfs/dbraw/zinc/19/13/78/712191378.db2.gz NIJUYULIKPTPFL-GFCCVEGCSA-N 2 0 244.379 0.969 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCN(C)C1)[NH2+]2 ZINC000709430433 712221688 /nfs/dbraw/zinc/22/16/88/712221688.db2.gz AJSODDFUPLXUCR-SJHCENCUSA-N 2 0 223.364 0.809 20 0 BCADRP C[C@H](O)CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710649934 712265607 /nfs/dbraw/zinc/26/56/07/712265607.db2.gz SQDBEYYCARRVKR-NSHDSACASA-N 2 0 230.352 0.146 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710967136 712269776 /nfs/dbraw/zinc/26/97/76/712269776.db2.gz FZQLRJCSAPAMOJ-XYPYZODXSA-N 2 0 241.379 0.960 20 0 BCADRP O[C@H](C[NH2+]C[C@H]1C=CCC1)C[NH+]1CCCC1 ZINC000711653880 712314106 /nfs/dbraw/zinc/31/41/06/712314106.db2.gz FXAUGTNRHXKKHY-QWHCGFSZSA-N 2 0 224.348 0.999 20 0 BCADRP CCN1CC[C@@H]1C[NH2+]C1CCN(C)CC1 ZINC000712540447 712443401 /nfs/dbraw/zinc/44/34/01/712443401.db2.gz BDNHJDQYHLGWFS-GFCCVEGCSA-N 2 0 211.353 0.764 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC[NH+](C)C ZINC000712987440 712450584 /nfs/dbraw/zinc/45/05/84/712450584.db2.gz CWDZKBQRJKKXLP-SNVBAGLBSA-N 2 0 229.368 0.674 20 0 BCADRP C[N@H+](CCCOC(F)(F)F)C[C@@H](O)C[NH3+] ZINC000713399049 712459024 /nfs/dbraw/zinc/45/90/24/712459024.db2.gz UETSPDSJJNSYNB-ZETCQYMHSA-N 2 0 230.230 0.164 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000715516690 712525050 /nfs/dbraw/zinc/52/50/50/712525050.db2.gz FOTSMPRDSNGABZ-SDDRHHMPSA-N 2 0 239.363 0.727 20 0 BCADRP CC1(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)OCCO1 ZINC000715896183 712540612 /nfs/dbraw/zinc/54/06/12/712540612.db2.gz SVFVRZQVZCEWES-QWRGUYRKSA-N 2 0 228.336 0.999 20 0 BCADRP O[C@@H](C[NH2+]C[C@@H]1CCC=CO1)C[NH+]1CCCC1 ZINC000380209153 712725641 /nfs/dbraw/zinc/72/56/41/712725641.db2.gz HBOSMZPGSYSKHA-STQMWFEESA-N 2 0 240.347 0.725 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000037821717 712764816 /nfs/dbraw/zinc/76/48/16/712764816.db2.gz FTTYMTOUERBUOZ-LLVKDONJSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000037816832 712765012 /nfs/dbraw/zinc/76/50/12/712765012.db2.gz URSHLGNPPSDYOV-SNVBAGLBSA-N 2 0 225.336 0.278 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720900783 712875485 /nfs/dbraw/zinc/87/54/85/712875485.db2.gz QTKCCNNRRIXYSY-MXWKQRLJSA-N 2 0 225.336 0.419 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CCCC[NH3+] ZINC000720901804 712875698 /nfs/dbraw/zinc/87/56/98/712875698.db2.gz UBXZSLODRCYKRK-RYUDHWBXSA-N 2 0 239.363 0.811 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C(C)(C)[NH3+] ZINC000720896462 712876949 /nfs/dbraw/zinc/87/69/49/712876949.db2.gz DGHKLVVFSITYJB-ZJUUUORDSA-N 2 0 225.336 0.419 20 0 BCADRP O[C@H]1C[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000720939794 712880563 /nfs/dbraw/zinc/88/05/63/712880563.db2.gz LVNAIESIWXNNTR-NWBUJAPZSA-N 2 0 224.348 0.735 20 0 BCADRP COC(=O)CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000381533283 710651364 /nfs/dbraw/zinc/65/13/64/710651364.db2.gz FRYVSYSUQAVBKB-WDEREUQCSA-N 2 0 226.320 0.433 20 0 BCADRP CCO[C@@H]1C[N@H+](C[C@H]2C[C@@H](OC)C2)C[C@H]1C[NH3+] ZINC000721957851 710694562 /nfs/dbraw/zinc/69/45/62/710694562.db2.gz BKJHGXSFGHAVNR-FVCCEPFGSA-N 2 0 242.363 0.707 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724922255 710748734 /nfs/dbraw/zinc/74/87/34/710748734.db2.gz PXTACMQPSNECHT-RYUDHWBXSA-N 2 0 228.336 0.333 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724922256 710749409 /nfs/dbraw/zinc/74/94/09/710749409.db2.gz PXTACMQPSNECHT-VXGBXAGGSA-N 2 0 228.336 0.333 20 0 BCADRP Cn1cncc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000384261361 710844293 /nfs/dbraw/zinc/84/42/93/710844293.db2.gz ONBKBZLLAJRNCA-ONGXEEELSA-N 2 0 208.309 0.637 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN1CC[NH+](CC2CC2)CC1 ZINC000383338854 710979933 /nfs/dbraw/zinc/97/99/33/710979933.db2.gz JRQBKTWCSWNVHW-NSHDSACASA-N 2 0 247.333 0.997 20 0 BCADRP COCC(COC)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000384891220 710999282 /nfs/dbraw/zinc/99/92/82/710999282.db2.gz YFGQFOJTPZQPNT-MNOVXSKESA-N 2 0 230.352 0.707 20 0 BCADRP CC[C@](C)([NH3+])c1cn(CC[NH+](C)C)nn1 ZINC000384160230 710989963 /nfs/dbraw/zinc/98/99/63/710989963.db2.gz JQDYKOKMGJVBGZ-JTQLQIEISA-N 2 0 211.313 0.424 20 0 BCADRP CC[C@H]1C[N@H+](C[C@H](O)COC)CC[C@@H]1[NH3+] ZINC000147531383 711015250 /nfs/dbraw/zinc/01/52/50/711015250.db2.gz BXYXYMQGJFHTTF-DCAQKATOSA-N 2 0 216.325 0.053 20 0 BCADRP C[NH+](C)C1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000380703744 712902613 /nfs/dbraw/zinc/90/26/13/712902613.db2.gz LMEBATAZZZPKMR-VIFPVBQESA-N 2 0 235.322 0.995 20 0 BCADRP COCCOCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000380697824 712902651 /nfs/dbraw/zinc/90/26/51/712902651.db2.gz KHOHNKJVRZINIX-NWDGAFQWSA-N 2 0 228.336 0.191 20 0 BCADRP Cn1nccc1CCN1C[C@H]([NH3+])C(C)(C)C1 ZINC000388024066 711049995 /nfs/dbraw/zinc/04/99/95/711049995.db2.gz FVMNAAIVALUKQT-NSHDSACASA-N 2 0 222.336 0.632 20 0 BCADRP CNC(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000389270569 711074599 /nfs/dbraw/zinc/07/45/99/711074599.db2.gz LLULCPYCVANUGD-UHFFFAOYSA-N 2 0 201.314 0.183 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000389664468 711085615 /nfs/dbraw/zinc/08/56/15/711085615.db2.gz STKMIYKSQJWWQN-NWDGAFQWSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](C[NH2+][C@@H]1CCCNC(=O)C1)C[NH+](C)C ZINC000390299725 711111898 /nfs/dbraw/zinc/11/18/98/711111898.db2.gz CBAATHGAYAVCPX-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@]1(C(N)=O)CC[N@H+](CCCCCC[NH3+])C1 ZINC000390465400 711119087 /nfs/dbraw/zinc/11/90/87/711119087.db2.gz AGDPRGLYDJODCV-LBPRGKRZSA-N 2 0 227.352 0.703 20 0 BCADRP CCN1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CC1=O ZINC000391591688 711138877 /nfs/dbraw/zinc/13/88/77/711138877.db2.gz FTHWEIWLLQTJEA-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP C[N@@H+]1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000392923971 711153504 /nfs/dbraw/zinc/15/35/04/711153504.db2.gz PNCNNILSNCFSEB-MCDVFOBDSA-N 2 0 221.348 0.277 20 0 BCADRP CC(C)(C)[C@@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000393977327 711180444 /nfs/dbraw/zinc/18/04/44/711180444.db2.gz XTNFHIWPDWMYRZ-NWDGAFQWSA-N 2 0 244.379 0.440 20 0 BCADRP CC(C)(C)[C@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000393977324 711180633 /nfs/dbraw/zinc/18/06/33/711180633.db2.gz XTNFHIWPDWMYRZ-NEPJUHHUSA-N 2 0 244.379 0.440 20 0 BCADRP CC[N@@H+]1CC[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000394158165 711187632 /nfs/dbraw/zinc/18/76/32/711187632.db2.gz UBYUUEVJJPOSPE-ARSDKDGVSA-N 2 0 249.402 0.914 20 0 BCADRP OCC1(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000395898242 711217154 /nfs/dbraw/zinc/21/71/54/711217154.db2.gz UWCIDZOAPQXVTL-OBPIAQAESA-N 2 0 236.359 0.735 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC[NH+]1CCCC1 ZINC000396587940 711357509 /nfs/dbraw/zinc/35/75/09/711357509.db2.gz IIKCTHZRXHPHSO-RYUDHWBXSA-N 2 0 211.353 0.812 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCC[N@@H+]1C ZINC000396604263 711358982 /nfs/dbraw/zinc/35/89/82/711358982.db2.gz OIMJNYSNROIZNQ-SRVKXCTJSA-N 2 0 211.353 0.811 20 0 BCADRP CO[C@@H]1CCC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397661659 711387349 /nfs/dbraw/zinc/38/73/49/711387349.db2.gz DESIQRQHTPWRAH-VXGBXAGGSA-N 2 0 242.363 0.600 20 0 BCADRP CO[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397661653 711387764 /nfs/dbraw/zinc/38/77/64/711387764.db2.gz DESIQRQHTPWRAH-NWDGAFQWSA-N 2 0 242.363 0.600 20 0 BCADRP CNC(=O)CCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000398308017 711408017 /nfs/dbraw/zinc/40/80/17/711408017.db2.gz JRSKJGHVBDOKJP-STXZSOOUSA-N 2 0 237.347 0.099 20 0 BCADRP C[C@H]1COCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000399332185 711427211 /nfs/dbraw/zinc/42/72/11/711427211.db2.gz VNZVYPBNZHOISE-NEPJUHHUSA-N 2 0 212.337 0.954 20 0 BCADRP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CCC[NH+](C)C ZINC000381213426 710609325 /nfs/dbraw/zinc/60/93/25/710609325.db2.gz FLQNOMLHYPCIOD-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(N)nc3)C[C@@H]2C1 ZINC000381311824 710619544 /nfs/dbraw/zinc/61/95/44/710619544.db2.gz OXGMFNZDRVWEIP-OLZOCXBDSA-N 2 0 246.358 0.878 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000724563543 710742364 /nfs/dbraw/zinc/74/23/64/710742364.db2.gz NGMDFFFKEZVFBO-RNJOBUHISA-N 2 0 240.347 0.332 20 0 BCADRP CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001044958178 710833771 /nfs/dbraw/zinc/83/37/71/710833771.db2.gz GELJEKLHAHWJQL-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001045311519 710836110 /nfs/dbraw/zinc/83/61/10/710836110.db2.gz MKSDZRPOLCKLOF-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001045312086 710837146 /nfs/dbraw/zinc/83/71/46/710837146.db2.gz WAVVBSWIXJGMGI-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000385043015 711004065 /nfs/dbraw/zinc/00/40/65/711004065.db2.gz OMHSUKSGZYXKJQ-SNVBAGLBSA-N 2 0 216.325 0.319 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC2=[NH+]CCCN2C)C1 ZINC000386540284 711032749 /nfs/dbraw/zinc/03/27/49/711032749.db2.gz DCIDIUWANRXAAS-GFCCVEGCSA-N 2 0 238.379 0.998 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NCC[NH+]1CCC(O)CC1 ZINC000396697326 711365418 /nfs/dbraw/zinc/36/54/18/711365418.db2.gz FTOVTZJENCSRRY-DGCLKSJQSA-N 2 0 241.379 0.173 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000723671251 711533343 /nfs/dbraw/zinc/53/33/43/711533343.db2.gz YVEBWIIWPUWJEX-NSHDSACASA-N 2 0 245.330 0.900 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](CCc2cn[nH]c2)C1 ZINC000723692508 711534155 /nfs/dbraw/zinc/53/41/55/711534155.db2.gz YNJQUHUPWSGRGM-SNVBAGLBSA-N 2 0 208.309 0.623 20 0 BCADRP COC[C@@H](C)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723708773 711535866 /nfs/dbraw/zinc/53/58/66/711535866.db2.gz ICHKAEHCJAXKOI-QWRGUYRKSA-N 2 0 200.326 0.940 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000723701784 711536023 /nfs/dbraw/zinc/53/60/23/711536023.db2.gz PUUBNSHHLCCKIA-BDAKNGLRSA-N 2 0 240.269 0.970 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1CC[NH3+] ZINC000723884997 711543419 /nfs/dbraw/zinc/54/34/19/711543419.db2.gz XEVGXMAAIBSOFL-GHMZBOCLSA-N 2 0 222.336 0.837 20 0 BCADRP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CC[NH3+] ZINC000723890028 711544131 /nfs/dbraw/zinc/54/41/31/711544131.db2.gz AIUMJFNCYKAHKD-GHMZBOCLSA-N 2 0 239.363 0.524 20 0 BCADRP C[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1CC[NH3+] ZINC000723909883 711544573 /nfs/dbraw/zinc/54/45/73/711544573.db2.gz TZTHXXJAOQLBMJ-VXGBXAGGSA-N 2 0 236.363 0.879 20 0 BCADRP CCn1ncnc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723907968 711544606 /nfs/dbraw/zinc/54/46/06/711544606.db2.gz CYEWHQKMARLPMV-GHMZBOCLSA-N 2 0 237.351 0.715 20 0 BCADRP CC[C@@H]1C(=O)NCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000891922574 711558103 /nfs/dbraw/zinc/55/81/03/711558103.db2.gz FUGODDRXVIUPKB-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP C[N@H+](CCC[NH3+])C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724555107 711589891 /nfs/dbraw/zinc/58/98/91/711589891.db2.gz BLYPHTMUTJKCGC-DCAQKATOSA-N 2 0 214.309 0.071 20 0 BCADRP C[C@@H](CNC1=[NH+]CCN1C)[NH+]1CCCC1 ZINC000308840829 711592507 /nfs/dbraw/zinc/59/25/07/711592507.db2.gz YFIWNSKBYHHYLA-JTQLQIEISA-N 2 0 210.325 0.362 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000724562131 711592622 /nfs/dbraw/zinc/59/26/22/711592622.db2.gz FXZOGYNXHQNRFT-QWQWKMKNSA-N 2 0 240.347 0.459 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC[C@@H]1[NH3+] ZINC000724564919 711592741 /nfs/dbraw/zinc/59/27/41/711592741.db2.gz WLBXHMPYPIPPTJ-NAWOPXAZSA-N 2 0 240.347 0.459 20 0 BCADRP C[C@](O)(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC1 ZINC000383342625 711594802 /nfs/dbraw/zinc/59/48/02/711594802.db2.gz SFIHKLVTJGNHHH-UTDUTZCBSA-N 2 0 236.359 0.733 20 0 BCADRP C[N@H+](C[C@@H]1C[C@H]2COC[C@@H]2O1)C1CC([NH3+])C1 ZINC000724588620 711595954 /nfs/dbraw/zinc/59/59/54/711595954.db2.gz BGSYVGZEQMPZOI-PFEFSLHISA-N 2 0 226.320 0.212 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724621140 711600183 /nfs/dbraw/zinc/60/01/83/711600183.db2.gz RLVOULOZRLTGRY-HGCLJGPKSA-N 2 0 240.347 0.506 20 0 BCADRP C[N@H+](CCO[C@H]1CCOC1)CC(C)(C)C[NH3+] ZINC000724921820 711628583 /nfs/dbraw/zinc/62/85/83/711628583.db2.gz NHSONHHTXHJTLE-NSHDSACASA-N 2 0 230.352 0.709 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000724924585 711629281 /nfs/dbraw/zinc/62/92/81/711629281.db2.gz YGQCGHKTVVZWJG-QWHCGFSZSA-N 2 0 242.363 0.853 20 0 BCADRP C[N@H+](CCO[C@@H]1CCOC1)C1CCC([NH3+])CC1 ZINC000724927024 711629983 /nfs/dbraw/zinc/62/99/83/711629983.db2.gz VYYUQISGSMWWBR-WXRRBKDZSA-N 2 0 242.363 0.994 20 0 BCADRP C[C@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)CC[NH+]1C ZINC000383376604 711657643 /nfs/dbraw/zinc/65/76/43/711657643.db2.gz DASRKNDRVKMKCA-AAEUAGOBSA-N 2 0 241.379 0.077 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(C(N)=O)CC1 ZINC000721040326 711687501 /nfs/dbraw/zinc/68/75/01/711687501.db2.gz QUFDTWDSICRCGI-KOLCDFICSA-N 2 0 225.336 0.039 20 0 BCADRP CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000722150251 711712250 /nfs/dbraw/zinc/71/22/50/711712250.db2.gz UDHZZRJOOYEEDY-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000925718063 711713484 /nfs/dbraw/zinc/71/34/84/711713484.db2.gz WBMZQJBCIQILKP-GUBZILKMSA-N 2 0 225.336 0.371 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000257647026 711721459 /nfs/dbraw/zinc/72/14/59/711721459.db2.gz AMCNJTTWCKHVOL-VXGBXAGGSA-N 2 0 239.363 0.668 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257660878 711724677 /nfs/dbraw/zinc/72/46/77/711724677.db2.gz GHPCFEMFIAXSGI-STQMWFEESA-N 2 0 223.364 0.814 20 0 BCADRP C[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1c[nH+]ccc1N ZINC000925786757 711751463 /nfs/dbraw/zinc/75/14/63/711751463.db2.gz VWJVLUQQHGUCBY-KBVBSXBZSA-N 2 0 220.320 0.753 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925788076 711751796 /nfs/dbraw/zinc/75/17/96/711751796.db2.gz YAAUAKRQAZMCPZ-LZRJYULZSA-N 2 0 235.375 0.428 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925788081 711752006 /nfs/dbraw/zinc/75/20/06/711752006.db2.gz YAAUAKRQAZMCPZ-VTAXGKEESA-N 2 0 235.375 0.428 20 0 BCADRP CCOCCOCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925875547 711761646 /nfs/dbraw/zinc/76/16/46/711761646.db2.gz UMIUSYQXXLPSFQ-RYUDHWBXSA-N 2 0 242.363 0.899 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879380 711761997 /nfs/dbraw/zinc/76/19/97/711761997.db2.gz CQYKPBAWAJDZKC-RHYQMDGZSA-N 3 0 211.353 0.831 20 0 BCADRP CCN(CC)C(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000160054987 711805511 /nfs/dbraw/zinc/80/55/11/711805511.db2.gz FHMYKAIZFRQQOK-LLVKDONJSA-N 2 0 227.352 0.526 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911715500 711819521 /nfs/dbraw/zinc/81/95/21/711819521.db2.gz YMNNUKNRMIWZQT-NNYUYHANSA-N 2 0 237.347 0.385 20 0 BCADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C(=O)NC ZINC000700470308 711993715 /nfs/dbraw/zinc/99/37/15/711993715.db2.gz BVTUPYCWXBYQBR-IVZWLZJFSA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+]C[C@H]1CN(CCO)CC[C@H]1C(F)(F)F ZINC000700798230 712006125 /nfs/dbraw/zinc/00/61/25/712006125.db2.gz VXYQYGUVNPHWMH-JGVFFNPUSA-N 2 0 226.242 0.438 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033665933 712010447 /nfs/dbraw/zinc/01/04/47/712010447.db2.gz SEILNYJOWVCUFC-LBPRGKRZSA-N 2 0 239.363 0.635 20 0 BCADRP C[N@@H+]1C[C@@H]2CN(C[C@@]3(C)CC[NH2+]C3)C[C@]2(C)C1 ZINC000702470245 712053745 /nfs/dbraw/zinc/05/37/45/712053745.db2.gz OYUZAUSHXABCHF-RDBSUJKOSA-N 2 0 237.391 0.870 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(C3CC3)CC2)C1 ZINC000703438366 712076505 /nfs/dbraw/zinc/07/65/05/712076505.db2.gz PXCPTMLPJLPYJX-PHIMTYICSA-N 2 0 209.337 0.504 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C1CC([NH3+])C1 ZINC000703583123 712080074 /nfs/dbraw/zinc/08/00/74/712080074.db2.gz NBRTZNWWMNCGQN-WHXUTIOJSA-N 2 0 227.352 0.570 20 0 BCADRP CN1CCC[C@H]([NH2+]CC2CC[NH+](C)CC2)C1=O ZINC000704370885 712105141 /nfs/dbraw/zinc/10/51/41/712105141.db2.gz IPTZHGCMELBJCB-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP CC1([NH3+])CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000704581366 712112708 /nfs/dbraw/zinc/11/27/08/712112708.db2.gz NHUNAJHEVCLOIT-GFCCVEGCSA-N 2 0 241.379 0.256 20 0 BCADRP C[NH+](C)C[C@@H]1CN(CCC[NH3+])C[C@H]1C[NH+](C)C ZINC000705814186 712136420 /nfs/dbraw/zinc/13/64/20/712136420.db2.gz MBYDDOSWBDKQFA-CHWSQXEVSA-N 3 0 242.411 0.006 20 0 BCADRP C[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC000705906029 712139076 /nfs/dbraw/zinc/13/90/76/712139076.db2.gz DIOJEODUZFKVIP-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP C[NH2+]CCCN(C)CCCCS(C)(=O)=O ZINC000706550340 712149375 /nfs/dbraw/zinc/14/93/75/712149375.db2.gz QLBNICMNXKWSQM-UHFFFAOYSA-N 2 0 236.381 0.353 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@H]2C[C@@H](CO)C2)CC1 ZINC000707705651 712176861 /nfs/dbraw/zinc/17/68/61/712176861.db2.gz ZZGXJDUYQNYWPH-TXEJJXNPSA-N 2 0 212.337 0.689 20 0 BCADRP Cc1cc(N2CC[C@H](C[NH+](C)C)C2)nc(N)[nH+]1 ZINC000708458410 712195006 /nfs/dbraw/zinc/19/50/06/712195006.db2.gz MYVXPGNCPWZEMB-SNVBAGLBSA-N 2 0 235.335 0.755 20 0 BCADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000708695439 712196955 /nfs/dbraw/zinc/19/69/55/712196955.db2.gz GJXSTCCYDKYBBZ-ISCIKXKRSA-N 2 0 236.359 0.997 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CCOC1)C2 ZINC000709824759 712228685 /nfs/dbraw/zinc/22/86/85/712228685.db2.gz VGNCJOFKCXPWOP-RHYQMDGZSA-N 2 0 210.321 0.835 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709851256 712229982 /nfs/dbraw/zinc/22/99/82/712229982.db2.gz ZFATXDZPEUHYBO-CYBMUJFWSA-N 2 0 242.363 0.723 20 0 BCADRP C[NH+](C)CC1(O)CC[NH+](C[C@H]2CCCO2)CC1 ZINC000710571789 712254323 /nfs/dbraw/zinc/25/43/23/712254323.db2.gz WHRFFQWMGHSSRG-GFCCVEGCSA-N 2 0 242.363 0.554 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000710868837 712259983 /nfs/dbraw/zinc/25/99/83/712259983.db2.gz DPDJHYZWLALFHX-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710894052 712261848 /nfs/dbraw/zinc/26/18/48/712261848.db2.gz RTVVGRYCZWRWTF-MGCOHNPYSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1COC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000710965444 712269972 /nfs/dbraw/zinc/26/99/72/712269972.db2.gz VDFPCTRYMWNRPW-RCWTZXSCSA-N 2 0 210.321 0.881 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711272933 712292550 /nfs/dbraw/zinc/29/25/50/712292550.db2.gz RFQCRWHXNVIYJC-PWSUYJOCSA-N 2 0 225.336 0.196 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000711309534 712293777 /nfs/dbraw/zinc/29/37/77/712293777.db2.gz HLNUSGAYAVHZQE-ILDUYXDCSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711385619 712296642 /nfs/dbraw/zinc/29/66/42/712296642.db2.gz OVWHGVSYAGUPGI-MNOVXSKESA-N 2 0 241.379 0.688 20 0 BCADRP CC(C)OCC[C@@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923478926 712334471 /nfs/dbraw/zinc/33/44/71/712334471.db2.gz JINAIMAJWFBJOW-CHWSQXEVSA-N 2 0 244.379 0.833 20 0 BCADRP CC(C)OCC[C@@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478929 712334504 /nfs/dbraw/zinc/33/45/04/712334504.db2.gz JINAIMAJWFBJOW-QWHCGFSZSA-N 2 0 244.379 0.833 20 0 BCADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923478927 712334762 /nfs/dbraw/zinc/33/47/62/712334762.db2.gz JINAIMAJWFBJOW-OLZOCXBDSA-N 2 0 244.379 0.833 20 0 BCADRP C[C@H](CO)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000379512400 712386637 /nfs/dbraw/zinc/38/66/37/712386637.db2.gz TXXHOICYIALRSZ-SNVBAGLBSA-N 2 0 200.326 0.641 20 0 BCADRP CC[N@H+](C[C@@H](O)CN1CCCC1)C1CC1 ZINC000379711987 712392403 /nfs/dbraw/zinc/39/24/03/712392403.db2.gz FSQKEELPFZGXOB-LBPRGKRZSA-N 2 0 212.337 0.927 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNc1ncnc(N)c1OC ZINC000712582642 712433587 /nfs/dbraw/zinc/43/35/87/712433587.db2.gz ZHNKKZGZILSBKG-QMMMGPOBSA-N 2 0 237.307 0.574 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712667794 712439958 /nfs/dbraw/zinc/43/99/58/712439958.db2.gz DBQVSXHNZXIMHB-VIFPVBQESA-N 2 0 213.325 0.276 20 0 BCADRP C[N@@H+]1CCN(C(=O)C[NH2+]C2CC2)CCC1(C)C ZINC000712670012 712440365 /nfs/dbraw/zinc/44/03/65/712440365.db2.gz WEZNXTQRLZPKGD-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712670106 712440532 /nfs/dbraw/zinc/44/05/32/712440532.db2.gz XWGIBTDMFVIPEY-JTQLQIEISA-N 2 0 227.352 0.666 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCCC[NH3+] ZINC000713112488 712452805 /nfs/dbraw/zinc/45/28/05/712452805.db2.gz OQCONYMOAUQMKL-SECBINFHSA-N 2 0 215.341 0.461 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC[N@H+]2CC=CCC2)C1 ZINC000713194504 712454198 /nfs/dbraw/zinc/45/41/98/712454198.db2.gz MYUBRKQXNUPIJM-OUCADQQQSA-N 2 0 249.358 0.492 20 0 BCADRP COC[C@H](O)C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000713364990 712459709 /nfs/dbraw/zinc/45/97/09/712459709.db2.gz VUQGPDBBRQAWMO-LLVKDONJSA-N 2 0 230.352 0.587 20 0 BCADRP C[N@H+](CCCOC(F)(F)F)CCOCC[NH3+] ZINC000713425916 712459832 /nfs/dbraw/zinc/45/98/32/712459832.db2.gz GMDGSVGQCVONAY-UHFFFAOYSA-N 2 0 244.257 0.820 20 0 BCADRP C[N@H+](CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C1CC1 ZINC000715127071 712511549 /nfs/dbraw/zinc/51/15/49/712511549.db2.gz SPNMHQOJJNXCLT-IUCAKERBSA-N 2 0 247.289 0.037 20 0 BCADRP C[C@@H](O)C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715490356 712522853 /nfs/dbraw/zinc/52/28/53/712522853.db2.gz JHFAJDWTFHBEPE-OUAUKWLOSA-N 2 0 200.326 0.830 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000715573339 712529356 /nfs/dbraw/zinc/52/93/56/712529356.db2.gz QBKKZIJRASAIQB-QWRGUYRKSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H](NC(=O)C[NH+](C)C)C1CC[NH2+]CC1 ZINC000716558263 712563645 /nfs/dbraw/zinc/56/36/45/712563645.db2.gz YDTJVMLIICODTH-VIFPVBQESA-N 2 0 213.325 0.052 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC1CC[NH+](C)CC1 ZINC000037267580 712565072 /nfs/dbraw/zinc/56/50/72/712565072.db2.gz PWOMDQQEGSMPIN-SNVBAGLBSA-N 2 0 213.325 0.180 20 0 BCADRP CC1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)OCCO1 ZINC000716819647 712576908 /nfs/dbraw/zinc/57/69/08/712576908.db2.gz NUHVFPKZMZHNCL-NXEZZACHSA-N 2 0 214.309 0.609 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000380090123 712685498 /nfs/dbraw/zinc/68/54/98/712685498.db2.gz GNYTZPCIMLVORW-RWMBFGLXSA-N 2 0 241.379 0.112 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000925495406 712698624 /nfs/dbraw/zinc/69/86/24/712698624.db2.gz NBTPVSCYAGJTQZ-ZYHUDNBSSA-N 2 0 223.364 0.953 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000384910211 712704784 /nfs/dbraw/zinc/70/47/84/712704784.db2.gz DEEOMFLBUPLJHR-ZJUUUORDSA-N 2 0 216.325 0.317 20 0 BCADRP Cc1cc(N2CC[NH+](C(C)C)CC2)nc(N)[nH+]1 ZINC000034257976 712709228 /nfs/dbraw/zinc/70/92/28/712709228.db2.gz WFMJOCBPMLZCSR-UHFFFAOYSA-N 2 0 235.335 0.898 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000037647131 712734035 /nfs/dbraw/zinc/73/40/35/712734035.db2.gz WGNVDACAETWLEY-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717973175 712735794 /nfs/dbraw/zinc/73/57/94/712735794.db2.gz DNMWOKHXXWJMMF-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP COC(=O)N[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000718014920 712736876 /nfs/dbraw/zinc/73/68/76/712736876.db2.gz UPNHJVGNYYZUEE-VWYCJHECSA-N 2 0 241.335 0.544 20 0 BCADRP NC(=O)CC1CC([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000718554178 712769284 /nfs/dbraw/zinc/76/92/84/712769284.db2.gz STNYQWITBKZZHO-LXKPXOPUSA-N 2 0 237.347 0.500 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000038029467 712800371 /nfs/dbraw/zinc/80/03/71/712800371.db2.gz ACBMTIJIOPACQO-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000038098247 712807850 /nfs/dbraw/zinc/80/78/50/712807850.db2.gz FBLGJJJWSDRWKT-GFCCVEGCSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H]1[C@H](NC(=O)CC[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC000719477860 712808299 /nfs/dbraw/zinc/80/82/99/712808299.db2.gz YEHIJRDAXVDQPU-GHMZBOCLSA-N 2 0 241.379 0.973 20 0 BCADRP CCCNC(=O)[C@@H](C)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720795015 712865891 /nfs/dbraw/zinc/86/58/91/712865891.db2.gz FNNWBLWTPCUQKL-NTZNESFSSA-N 2 0 239.363 0.442 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C[C@@H]1CC[NH2+]C1 ZINC000720890283 712874386 /nfs/dbraw/zinc/87/43/86/712874386.db2.gz LJAIVJCLPOCLAT-JHJVBQTASA-N 2 0 223.364 0.764 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CC(C)(C)[NH3+] ZINC000720900856 712874894 /nfs/dbraw/zinc/87/48/94/712874894.db2.gz RULDLJZECXBJEE-GHMZBOCLSA-N 2 0 239.363 0.809 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCC[NH2+]1 ZINC000720903836 712875083 /nfs/dbraw/zinc/87/50/83/712875083.db2.gz VVXRJURUSZHLFI-WOPDTQHZSA-N 2 0 237.347 0.434 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720900778 712875337 /nfs/dbraw/zinc/87/53/37/712875337.db2.gz QTKCCNNRRIXYSY-GARJFASQSA-N 2 0 225.336 0.419 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C[NH2+]C1CC1 ZINC000720904084 712875948 /nfs/dbraw/zinc/87/59/48/712875948.db2.gz WOYQZWDYQAPBGX-VXGBXAGGSA-N 2 0 237.347 0.434 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C[NH2+]C1CC1 ZINC000720904083 712876138 /nfs/dbraw/zinc/87/61/38/712876138.db2.gz WOYQZWDYQAPBGX-RYUDHWBXSA-N 2 0 237.347 0.434 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C[C@H]1CCC[NH2+]1 ZINC000720896237 712876389 /nfs/dbraw/zinc/87/63/89/712876389.db2.gz PVSURXCYYHJAKG-AGIUHOORSA-N 2 0 223.364 0.907 20 0 BCADRP C[NH+]1CCC(C[NH2+]C[C@H]2C[C@H](O)C2)CC1 ZINC000720957685 712882084 /nfs/dbraw/zinc/88/20/84/712882084.db2.gz PMTYGPDHOLSQEG-HAQNSBGRSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)CC[N@@H+]1C ZINC000720956283 712882783 /nfs/dbraw/zinc/88/27/83/712882783.db2.gz IMDQSPQNGIAMSO-BJDJZHNGSA-N 2 0 212.337 0.830 20 0 BCADRP O[C@H]1C[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000720979062 712885361 /nfs/dbraw/zinc/88/53/61/712885361.db2.gz YSTCFSQUPNXZRL-XDQOZGBTSA-N 2 0 222.332 0.343 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000721040389 712887847 /nfs/dbraw/zinc/88/78/47/712887847.db2.gz RWLODIWXOYCVLB-SCVCMEIPSA-N 2 0 225.336 0.039 20 0 BCADRP C[N@@H+]1CCO[C@@H]2CN(c3cc(N)cc[nH+]3)C[C@H]21 ZINC001164670435 719369469 /nfs/dbraw/zinc/36/94/69/719369469.db2.gz UUTOJRJBDUTJJM-GHMZBOCLSA-N 2 0 234.303 0.183 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000649276635 398135529 /nfs/dbraw/zinc/13/55/29/398135529.db2.gz UUEBTDGIKXSCPI-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000649318484 398141822 /nfs/dbraw/zinc/14/18/22/398141822.db2.gz OPFBECAGFIRAIG-GDNZZTSVSA-N 2 0 237.347 0.052 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000061995907 168321640 /nfs/dbraw/zinc/32/16/40/168321640.db2.gz FSURCMKAFXWDPQ-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[N@H+](C)C1CC1 ZINC000649319491 398142725 /nfs/dbraw/zinc/14/27/25/398142725.db2.gz BRBOYJMQWVULKA-OHBODLIOSA-N 2 0 237.347 0.051 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000236704978 168323066 /nfs/dbraw/zinc/32/30/66/168323066.db2.gz QDXDCTGOSUEPFV-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000257694896 349471777 /nfs/dbraw/zinc/47/17/77/349471777.db2.gz MTDUXCFWSOGOIC-GMTAPVOTSA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)N(CC[NH+](C)C)C(=O)NCCC[NH3+] ZINC000418350198 192026706 /nfs/dbraw/zinc/02/67/06/192026706.db2.gz LBRFRWSXVIJRNY-UHFFFAOYSA-N 2 0 230.356 0.317 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062889455 349495142 /nfs/dbraw/zinc/49/51/42/349495142.db2.gz SJCAHVFPEPQXLA-DGCLKSJQSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159587611 136214487 /nfs/dbraw/zinc/21/44/87/136214487.db2.gz JEVGQKYUNYBFTP-LBPRGKRZSA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]CC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000063166279 349500786 /nfs/dbraw/zinc/50/07/86/349500786.db2.gz AENWOSUWGYMDNU-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1C ZINC000649333345 398150041 /nfs/dbraw/zinc/15/00/41/398150041.db2.gz NQNHGZLCUPKNKP-LVEVGFFFSA-N 2 0 237.347 0.051 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000649335038 398152129 /nfs/dbraw/zinc/15/21/29/398152129.db2.gz AJWOPASRQJASKX-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](CCO)[N@H+](C)CCCn1ccnc1 ZINC000649870316 398156717 /nfs/dbraw/zinc/15/67/17/398156717.db2.gz ZRSJWWSCXKPPSJ-LLVKDONJSA-N 2 0 211.309 0.976 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)[NH+](C)C ZINC000649355687 398167910 /nfs/dbraw/zinc/16/79/10/398167910.db2.gz OCBFFMXTMZWBEG-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H](C(=O)NC[C@@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000649355712 398168178 /nfs/dbraw/zinc/16/81/78/398168178.db2.gz AYWLXWOONCQXKI-JQWIXIFHSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H](C(=O)N1CC[NH2+][C@@H](C)[C@H]1C)[NH+](C)C ZINC000649359679 398171604 /nfs/dbraw/zinc/17/16/04/398171604.db2.gz XZIQPEUJTYWJCJ-AEJSXWLSSA-N 2 0 213.325 0.145 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H](C)[NH3+])[NH+](CC)CC ZINC000649359829 398171840 /nfs/dbraw/zinc/17/18/40/398171840.db2.gz FAYPPYYHYICXGL-ZJUUUORDSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@@H](C(=O)N1CCCC[C@@H]1CC[NH3+])[NH+](C)C ZINC000649362086 398175493 /nfs/dbraw/zinc/17/54/93/398175493.db2.gz RJPBKKLZTRNYBA-WDEREUQCSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@H]1C[N@H+](CCc2cn[nH]c2)CC[C@H]1[NH3+] ZINC000379964722 398176277 /nfs/dbraw/zinc/17/62/77/398176277.db2.gz HAZIPLHUQLWAIA-GXSJLCMTSA-N 2 0 208.309 0.621 20 0 BCADRP C[C@H]1C[N@H+](CCc2cn[nH]c2)CC[C@@H]1[NH3+] ZINC000379964731 398176447 /nfs/dbraw/zinc/17/64/47/398176447.db2.gz HAZIPLHUQLWAIA-ONGXEEELSA-N 2 0 208.309 0.621 20 0 BCADRP C[C@@H](C(=O)N[C@H](CC[NH3+])C(F)F)[NH+](C)C ZINC000649364988 398177727 /nfs/dbraw/zinc/17/77/27/398177727.db2.gz BVLPYWDLWNCTAR-NKWVEPMBSA-N 2 0 223.267 0.035 20 0 BCADRP CCCCNC(=O)CCN1CCC[C@@H]([NH2+]C)C1 ZINC000339898200 398180217 /nfs/dbraw/zinc/18/02/17/398180217.db2.gz GYBJDTZDSBVPJO-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649343924 398160662 /nfs/dbraw/zinc/16/06/62/398160662.db2.gz FEIHAEONWCHIQG-GDNZZTSVSA-N 2 0 239.363 0.300 20 0 BCADRP CC(C)C[N@H+](CC[C@H]1CC[NH2+]C1)CC(N)=O ZINC000396740385 398167192 /nfs/dbraw/zinc/16/71/92/398167192.db2.gz OWMSCBRZKHVKIC-LLVKDONJSA-N 2 0 227.352 0.429 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000366493857 398167373 /nfs/dbraw/zinc/16/73/73/398167373.db2.gz BDPVJKYQXLQYDU-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649375063 398187522 /nfs/dbraw/zinc/18/75/22/398187522.db2.gz LYLRMBHSCFANIC-GDNZZTSVSA-N 2 0 239.363 0.252 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000083884186 398187634 /nfs/dbraw/zinc/18/76/34/398187634.db2.gz SBRKKMVOOYPUJI-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000336746187 398188252 /nfs/dbraw/zinc/18/82/52/398188252.db2.gz RECZLESZQVFPKN-IVZWLZJFSA-N 2 0 213.325 0.323 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000083884183 398188262 /nfs/dbraw/zinc/18/82/62/398188262.db2.gz ZYJXVIWCGWIEDM-LBPRGKRZSA-N 2 0 239.363 0.812 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000576225487 365528387 /nfs/dbraw/zinc/52/83/87/365528387.db2.gz PHQPWKMFDSFVQY-HOSYDEDBSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000576228256 365529436 /nfs/dbraw/zinc/52/94/36/365529436.db2.gz CVRJMLBFWIQYJT-MXWKQRLJSA-N 2 0 227.352 0.618 20 0 BCADRP Cc1nn(C)cc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000576227238 365530046 /nfs/dbraw/zinc/53/00/46/365530046.db2.gz LYGLQMOMCPATPC-IUCAKERBSA-N 2 0 210.325 0.944 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000576230839 365531340 /nfs/dbraw/zinc/53/13/40/365531340.db2.gz PUYBNMRNVPZTRZ-DTWKUNHWSA-N 2 0 249.305 0.427 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@@H](C)[NH3+] ZINC000380272352 398193261 /nfs/dbraw/zinc/19/32/61/398193261.db2.gz WRORGXVMHXERTD-MRVPVSSYSA-N 2 0 201.314 0.215 20 0 BCADRP C[C@@H](NCC1(CO)CC1)[C@@H]1CCCC[NH2+]1 ZINC000385993480 398194330 /nfs/dbraw/zinc/19/43/30/398194330.db2.gz FHAWYJABPDNTOO-MNOVXSKESA-N 2 0 212.337 0.879 20 0 BCADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ncnn1C ZINC000647795787 398194484 /nfs/dbraw/zinc/19/44/84/398194484.db2.gz WDNLUYIYVNEHOW-FIQHERPVSA-N 2 0 249.362 0.854 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000390669965 398200943 /nfs/dbraw/zinc/20/09/43/398200943.db2.gz SOUCXRMSIYXURL-ONGXEEELSA-N 2 0 225.336 0.134 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)C1C[NH2+]C1 ZINC000164624995 398209255 /nfs/dbraw/zinc/20/92/55/398209255.db2.gz NCWAWMUEDQAAQF-PWSUYJOCSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@@H](CN(C)C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647796797 398201677 /nfs/dbraw/zinc/20/16/77/398201677.db2.gz OCYDZNUTGCHAQC-QNWHQSFQSA-N 2 0 225.380 0.914 20 0 BCADRP C[C@@H](CN(C)C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647796800 398201690 /nfs/dbraw/zinc/20/16/90/398201690.db2.gz OCYDZNUTGCHAQC-ZDEQEGDKSA-N 2 0 225.380 0.914 20 0 BCADRP C[NH2+]CCC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000576278248 365548327 /nfs/dbraw/zinc/54/83/27/365548327.db2.gz UULNHZADBBHKKD-UHFFFAOYSA-N 2 0 221.304 0.954 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000382948113 398205935 /nfs/dbraw/zinc/20/59/35/398205935.db2.gz KVJLGYPCAOBRGN-GHMZBOCLSA-N 2 0 241.379 0.973 20 0 BCADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@H]1C[C@H]1C ZINC000576338101 365569455 /nfs/dbraw/zinc/56/94/55/365569455.db2.gz MZEBXQDWJSFUDW-MXWKQRLJSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000192105901 136220951 /nfs/dbraw/zinc/22/09/51/136220951.db2.gz WANAKIFZQQNHHY-GHMZBOCLSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)CC[NH3+] ZINC000576330503 365566913 /nfs/dbraw/zinc/56/69/13/365566913.db2.gz YDNFEDVEVKAGEA-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000649414232 398212902 /nfs/dbraw/zinc/21/29/02/398212902.db2.gz NQJYTJYZDGWIKB-CHWSQXEVSA-N 2 0 225.380 0.870 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)Cn1ccnc1 ZINC000073291340 343986102 /nfs/dbraw/zinc/98/61/02/343986102.db2.gz VMJTWLZKSSHXQW-LLVKDONJSA-N 2 0 238.335 0.730 20 0 BCADRP CN(CCC[N@H+](C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000343497915 365600074 /nfs/dbraw/zinc/60/00/74/365600074.db2.gz XJIJDVLFQCUDEL-BETUJISGSA-N 2 0 242.363 0.818 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000417449378 398223710 /nfs/dbraw/zinc/22/37/10/398223710.db2.gz XTLQNPATOMPZLK-QWRGUYRKSA-N 2 0 244.383 0.753 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418368128 192028768 /nfs/dbraw/zinc/02/87/68/192028768.db2.gz MDAKEBRMPWCXFY-NXEZZACHSA-N 2 0 228.340 0.036 20 0 BCADRP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418396191 192032911 /nfs/dbraw/zinc/03/29/11/192032911.db2.gz ZKYUDCXILVGZJN-NSHDSACASA-N 2 0 242.367 0.330 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418396276 192033015 /nfs/dbraw/zinc/03/30/15/192033015.db2.gz HZQUZDOCZPNYDH-SNVBAGLBSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418381259 192030734 /nfs/dbraw/zinc/03/07/34/192030734.db2.gz XIOYHMGLLCRQLF-QWRGUYRKSA-N 2 0 242.367 0.555 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418382974 192031130 /nfs/dbraw/zinc/03/11/30/192031130.db2.gz MTYKMFZWPMCZKI-NXEZZACHSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000418383491 192031132 /nfs/dbraw/zinc/03/11/32/192031132.db2.gz NLVMWNVUOKANPH-VWYCJHECSA-N 2 0 240.351 0.117 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)NC(C)(C)C[NH+](C)C ZINC000418386447 192031505 /nfs/dbraw/zinc/03/15/05/192031505.db2.gz LQPNHHZZTKRLDV-SNVBAGLBSA-N 2 0 244.383 0.481 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418397634 192032869 /nfs/dbraw/zinc/03/28/69/192032869.db2.gz DIOWRPSODZVMDS-HRDYMLBCSA-N 2 0 216.329 0.005 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NC(C)(C)C[NH+](C)C ZINC000418395309 192032683 /nfs/dbraw/zinc/03/26/83/192032683.db2.gz BQVZNYJNDCHMII-JTQLQIEISA-N 2 0 244.383 0.609 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NCC(C)(C)[NH3+] ZINC000418415490 192035036 /nfs/dbraw/zinc/03/50/36/192035036.db2.gz UQYWSDHGWMRTMH-MRVPVSSYSA-N 2 0 216.329 0.006 20 0 BCADRP CC(C)([NH3+])CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418413952 192035051 /nfs/dbraw/zinc/03/50/51/192035051.db2.gz RHUWNVOVWSLEIP-NXEZZACHSA-N 2 0 242.367 0.540 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418411186 192034613 /nfs/dbraw/zinc/03/46/13/192034613.db2.gz QAIDTMQNTMEERA-AXFHLTTASA-N 2 0 242.367 0.267 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000418413344 192035174 /nfs/dbraw/zinc/03/51/74/192035174.db2.gz QQVGUKAXHIMOOK-MXWKQRLJSA-N 2 0 240.351 0.247 20 0 BCADRP CC(C)([NH3+])CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418413954 192035211 /nfs/dbraw/zinc/03/52/11/192035211.db2.gz RHUWNVOVWSLEIP-VHSXEESVSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418415659 192035236 /nfs/dbraw/zinc/03/52/36/192035236.db2.gz STGOFTLGQZXRJS-GMTAPVOTSA-N 2 0 242.367 0.540 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000430764342 398231239 /nfs/dbraw/zinc/23/12/39/398231239.db2.gz PPKJRIVXDSGXNJ-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000092630018 398235559 /nfs/dbraw/zinc/23/55/59/398235559.db2.gz KGMQEKAFIZDBLW-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H](C)C[NH3+] ZINC000418438034 192036111 /nfs/dbraw/zinc/03/61/11/192036111.db2.gz IMLZJVZPXUGZSR-NXEZZACHSA-N 2 0 230.356 0.254 20 0 BCADRP C[NH+](C)C1(C(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000629950587 361795496 /nfs/dbraw/zinc/79/54/96/361795496.db2.gz SNKVNFLLRJZMHX-UHFFFAOYSA-N 2 0 248.330 0.126 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@H](C)CC[NH3+] ZINC000418443637 192036176 /nfs/dbraw/zinc/03/61/76/192036176.db2.gz VMAKRZNPRSJTFW-SECBINFHSA-N 2 0 230.356 0.540 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@@H](C)CCC[NH3+] ZINC000418445034 192036345 /nfs/dbraw/zinc/03/63/45/192036345.db2.gz MTBRMQPGVQTEKK-WDEREUQCSA-N 2 0 244.383 0.931 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N(C)[C@H](C)C[NH3+] ZINC000418442370 192036566 /nfs/dbraw/zinc/03/65/66/192036566.db2.gz MVVQCFPBLDIPCL-ZJUUUORDSA-N 2 0 230.356 0.348 20 0 BCADRP CCC(CC)C[NH2+]CCN1CC[NH2+]CC1 ZINC000083347608 168360847 /nfs/dbraw/zinc/36/08/47/168360847.db2.gz FQNPBWJKDBZFSN-UHFFFAOYSA-N 2 0 213.369 0.917 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000576463481 365602506 /nfs/dbraw/zinc/60/25/06/365602506.db2.gz SBVYTCNIRLKRCC-GARJFASQSA-N 2 0 239.363 0.631 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)NCC(C)(C)[NH3+] ZINC000576466363 365603651 /nfs/dbraw/zinc/60/36/51/365603651.db2.gz PMWZMBLMDDCNGS-UHFFFAOYSA-N 2 0 249.358 0.916 20 0 BCADRP C[C@@H]1C[C@H](C)N(C[C@@H]2CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000647993000 398244922 /nfs/dbraw/zinc/24/49/22/398244922.db2.gz ZOKTXJWPNQILFP-XQHKEYJVSA-N 2 0 225.380 0.901 20 0 BCADRP C[C@@H]1C[C@H](C)N(C[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000647992998 398244983 /nfs/dbraw/zinc/24/49/83/398244983.db2.gz ZOKTXJWPNQILFP-MROQNXINSA-N 2 0 225.380 0.901 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000576516459 365614580 /nfs/dbraw/zinc/61/45/80/365614580.db2.gz CTODWBIGLVNCJJ-GHMZBOCLSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)N[C@@H](C[NH3+])CC(C)C)C1 ZINC000418422649 192037313 /nfs/dbraw/zinc/03/73/13/192037313.db2.gz BCGKSLDGFZFLGF-WDEREUQCSA-N 2 0 242.367 0.363 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000576516460 365614811 /nfs/dbraw/zinc/61/48/11/365614811.db2.gz CTODWBIGLVNCJJ-WDEREUQCSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000134102665 398240575 /nfs/dbraw/zinc/24/05/75/398240575.db2.gz QYEVCICQNHDDPN-NXEZZACHSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000381282194 398247693 /nfs/dbraw/zinc/24/76/93/398247693.db2.gz YMWJYKWQLNLLLK-NXEZZACHSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+][C@H]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000576628419 365641931 /nfs/dbraw/zinc/64/19/31/365641931.db2.gz YAQMLPCYOAVXHB-TUAOUCFPSA-N 2 0 239.363 0.620 20 0 BCADRP CCS(=O)(=O)C[C@@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000576637197 365644937 /nfs/dbraw/zinc/64/49/37/365644937.db2.gz XLUUBPQXGZFTGA-SNVBAGLBSA-N 2 0 248.392 0.399 20 0 BCADRP CO[C@H](C[NH3+])CC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000576635882 365645103 /nfs/dbraw/zinc/64/51/03/365645103.db2.gz ICHLBZJKVCLLIJ-LBPRGKRZSA-N 2 0 249.314 0.592 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000381305313 398253215 /nfs/dbraw/zinc/25/32/15/398253215.db2.gz JRMBQCPCBDCADV-NXEZZACHSA-N 2 0 213.325 0.180 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000576644438 365647904 /nfs/dbraw/zinc/64/79/04/365647904.db2.gz FUZHMGNNXHJVHF-AGIUHOORSA-N 2 0 244.379 0.440 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000381413371 398256252 /nfs/dbraw/zinc/25/62/52/398256252.db2.gz UCPCMEWQQCWLRG-GXSJLCMTSA-N 2 0 213.325 0.039 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000381492870 398257203 /nfs/dbraw/zinc/25/72/03/398257203.db2.gz YWEZJXWSJPGVPV-KXUCPTDWSA-N 2 0 211.309 0.077 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000381420553 398257386 /nfs/dbraw/zinc/25/73/86/398257386.db2.gz XFSJKCXJOXASKQ-PWSUYJOCSA-N 2 0 209.337 0.422 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000576701627 365663453 /nfs/dbraw/zinc/66/34/53/365663453.db2.gz LDNWKMHRUQEXEM-BDAKNGLRSA-N 2 0 213.325 0.371 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000576714050 365666761 /nfs/dbraw/zinc/66/67/61/365666761.db2.gz KFAMTJUAJXJLIZ-RVMXOQNASA-N 2 0 244.379 0.797 20 0 BCADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H](C)C[NH3+] ZINC000418468342 192038252 /nfs/dbraw/zinc/03/82/52/192038252.db2.gz JAZWQWXXLRNMDG-LLVKDONJSA-N 2 0 244.383 0.563 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000576754379 365676736 /nfs/dbraw/zinc/67/67/36/365676736.db2.gz OPYWKKWHJXHEAD-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1CCC[NH2+]1 ZINC000381556600 398262656 /nfs/dbraw/zinc/26/26/56/398262656.db2.gz OYIOYLNUABENJK-MWLCHTKSSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000381566317 398264124 /nfs/dbraw/zinc/26/41/24/398264124.db2.gz SQIZFXIZKCUPOT-BDAKNGLRSA-N 2 0 213.325 0.084 20 0 BCADRP CCOC(=O)CC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000259486195 349575076 /nfs/dbraw/zinc/57/50/76/349575076.db2.gz RUNRQWJTNNDDSE-SNVBAGLBSA-N 2 0 214.309 0.610 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000130529863 398269315 /nfs/dbraw/zinc/26/93/15/398269315.db2.gz NOBNJLNNGAMAKA-GARJFASQSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000381708835 398270546 /nfs/dbraw/zinc/27/05/46/398270546.db2.gz JXVFPKCMAOZGIJ-WDEREUQCSA-N 3 0 211.353 0.655 20 0 BCADRP Cc1cc(NC[C@@H]2CN3CCN2CC3)nc(C)n1 ZINC000179075766 538954363 /nfs/dbraw/zinc/95/43/63/538954363.db2.gz CZVHJKLUEWIDCJ-GFCCVEGCSA-N 2 0 247.346 0.505 20 0 BCADRP CC(C)([NH3+])Cc1nc(C2([NH3+])CCC2)no1 ZINC000381675483 398268107 /nfs/dbraw/zinc/26/81/07/398268107.db2.gz XGQVXRZMGCOGNH-UHFFFAOYSA-N 2 0 210.281 0.687 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](C)[NH3+] ZINC000669530262 488178141 /nfs/dbraw/zinc/17/81/41/488178141.db2.gz YETPPTBURUQFSN-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])CCSC ZINC000602544551 349588808 /nfs/dbraw/zinc/58/88/08/349588808.db2.gz LLTKRJOCVWFHFS-KXUCPTDWSA-N 2 0 245.392 0.324 20 0 BCADRP [NH3+][C@@H](CNC(=O)CC1([NH3+])CCC1)C1CC1 ZINC000381646044 398268458 /nfs/dbraw/zinc/26/84/58/398268458.db2.gz QKUQMADESOVQCI-VIFPVBQESA-N 2 0 211.309 0.111 20 0 BCADRP C[C@@H](CO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000035602117 538957360 /nfs/dbraw/zinc/95/73/60/538957360.db2.gz HPUKCTQXSLQZMR-UWVGGRQHSA-N 2 0 200.326 0.687 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000335388717 136235000 /nfs/dbraw/zinc/23/50/00/136235000.db2.gz KJZGAAWFPDHKSM-MNOVXSKESA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000334925561 398274113 /nfs/dbraw/zinc/27/41/13/398274113.db2.gz LPKCEHZERVMQOS-MNOVXSKESA-N 2 0 240.351 0.084 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC(C)(C)[NH+](C)C ZINC000165352024 361837693 /nfs/dbraw/zinc/83/76/93/361837693.db2.gz NTHFFVAXSFVYIB-IUCAKERBSA-N 2 0 215.341 0.426 20 0 BCADRP [NH3+][C@@H](CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000418487559 192040761 /nfs/dbraw/zinc/04/07/61/192040761.db2.gz LOPSEMIQHXJKOY-VWYCJHECSA-N 2 0 240.351 0.293 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418487145 192040955 /nfs/dbraw/zinc/04/09/55/192040955.db2.gz HVLSCSYOFYMVDR-BDAKNGLRSA-N 2 0 216.329 0.021 20 0 BCADRP CCC[NH2+]CCNC(=O)NC1(C)CC[NH2+]CC1 ZINC000418486865 192041048 /nfs/dbraw/zinc/04/10/48/192041048.db2.gz GXXBLBWCKGXOCK-UHFFFAOYSA-N 2 0 242.367 0.427 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000418490114 192041382 /nfs/dbraw/zinc/04/13/82/192041382.db2.gz MUYDCQLUCJZNDR-SNVBAGLBSA-N 2 0 242.367 0.270 20 0 BCADRP CCC[NH2+]CCNC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000418490806 192041528 /nfs/dbraw/zinc/04/15/28/192041528.db2.gz QLYBBLHFCOSTIF-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP CCC[NH2+]CCNC(=O)NCC[C@H](C)[NH3+] ZINC000418490434 192041866 /nfs/dbraw/zinc/04/18/66/192041866.db2.gz PTMPBYCVULMHBO-VIFPVBQESA-N 2 0 216.329 0.023 20 0 BCADRP CCC[NH2+]CCNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000418489280 192041958 /nfs/dbraw/zinc/04/19/58/192041958.db2.gz NCIOLSZJTNLBIE-QWRGUYRKSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@@H]([NH2+]CCC(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000037751842 538963846 /nfs/dbraw/zinc/96/38/46/538963846.db2.gz JUBRUTHBEIMHOR-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000131907107 342702483 /nfs/dbraw/zinc/70/24/83/342702483.db2.gz CCTXQOGNVHMBFH-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP O[C@H](C[NH2+][C@H]1CCSC1)C[NH+]1CCCC1 ZINC000166814038 361857669 /nfs/dbraw/zinc/85/76/69/361857669.db2.gz UXLPJMGKDSMZBV-WDEREUQCSA-N 2 0 230.377 0.538 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000165422983 361840387 /nfs/dbraw/zinc/84/03/87/361840387.db2.gz KYOGTXDEKNMLLG-NXEZZACHSA-N 2 0 215.341 0.426 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]([NH3+])CC ZINC000418448881 192042125 /nfs/dbraw/zinc/04/21/25/192042125.db2.gz RGJMRGQROKUDRQ-UWVGGRQHSA-N 2 0 230.356 0.540 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418493910 192042249 /nfs/dbraw/zinc/04/22/49/192042249.db2.gz ZGBYXKOKYVCPSR-QWRGUYRKSA-N 2 0 242.367 0.555 20 0 BCADRP CCC[NH2+]CCNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000418493549 192042308 /nfs/dbraw/zinc/04/23/08/192042308.db2.gz YSHKHDJSAKCTOU-WDEREUQCSA-N 2 0 242.367 0.378 20 0 BCADRP C[C@@H]([NH2+]CCOCCO)C1CC[NH+](C)CC1 ZINC000037221646 538961886 /nfs/dbraw/zinc/96/18/86/538961886.db2.gz RKVWXSWOVXLYMA-LLVKDONJSA-N 2 0 230.352 0.315 20 0 BCADRP [NH3+]CCNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000335606321 136236332 /nfs/dbraw/zinc/23/63/32/136236332.db2.gz MZZDDEKBKFYKSZ-NSHDSACASA-N 2 0 240.351 0.215 20 0 BCADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC[NH3+] ZINC000335606123 136236507 /nfs/dbraw/zinc/23/65/07/136236507.db2.gz LNRBZXKYRGNZQG-GHMZBOCLSA-N 2 0 240.351 0.213 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000583946028 342730787 /nfs/dbraw/zinc/73/07/87/342730787.db2.gz NKLKNJYNTLIBBB-SNVBAGLBSA-N 2 0 213.325 0.243 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000605331993 342752855 /nfs/dbraw/zinc/75/28/55/342752855.db2.gz WPPWSHBSKIJTDQ-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000309617075 342754526 /nfs/dbraw/zinc/75/45/26/342754526.db2.gz FQARUWMXGJXBNO-NSHDSACASA-N 2 0 213.325 0.102 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC[C@H]([NH3+])C1 ZINC000418453297 192042710 /nfs/dbraw/zinc/04/27/10/192042710.db2.gz XXESWMYNJWPKOA-QWRGUYRKSA-N 2 0 242.367 0.493 20 0 BCADRP C[C@H](CNC(=O)N(C)CCC[NH3+])[N@H+](C)C1CC1 ZINC000580293108 346861146 /nfs/dbraw/zinc/86/11/46/346861146.db2.gz BOUTYLLSOYGPNZ-SNVBAGLBSA-N 2 0 242.367 0.459 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000518180197 398282221 /nfs/dbraw/zinc/28/22/21/398282221.db2.gz LJMISSHBVYFSGL-MXWKQRLJSA-N 2 0 225.336 0.454 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000418451598 192043199 /nfs/dbraw/zinc/04/31/99/192043199.db2.gz WEZXVKZVDNQGQM-AXFHLTTASA-N 2 0 242.367 0.491 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@@H](C)CC[NH3+] ZINC000418451717 192043204 /nfs/dbraw/zinc/04/32/04/192043204.db2.gz WIQAZGOHXVGZDC-UWVGGRQHSA-N 2 0 230.356 0.540 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N(C)CC[NH+]1CCCC1 ZINC000418500839 192043919 /nfs/dbraw/zinc/04/39/19/192043919.db2.gz ZOYIEUGJVFXYPD-NSHDSACASA-N 2 0 242.367 0.318 20 0 BCADRP C[C@H](CCNC(=O)C[N@H+](C)C1CCC1)[NH+](C)C ZINC000630019138 361901111 /nfs/dbraw/zinc/90/11/11/361901111.db2.gz SZENQRNAHXDOTH-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@]1(C(=O)NCCCC[NH3+])CCC[NH2+]1 ZINC000128991086 398290258 /nfs/dbraw/zinc/29/02/58/398290258.db2.gz NLLXJVNQUDNRKR-LLVKDONJSA-N 2 0 213.325 0.374 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)NCCCC[NH3+])CC1 ZINC000418509447 192045500 /nfs/dbraw/zinc/04/55/00/192045500.db2.gz MJRRVSCFNNLGCY-UHFFFAOYSA-N 2 0 242.367 0.461 20 0 BCADRP CC(C)(C[NH3+])NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000418513527 192045609 /nfs/dbraw/zinc/04/56/09/192045609.db2.gz GEGCQJYBZNNLSF-UHFFFAOYSA-N 2 0 242.367 0.413 20 0 BCADRP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CC[NH+]2CCC1CC2 ZINC000335464334 398288762 /nfs/dbraw/zinc/28/87/62/398288762.db2.gz PQKLULLWKZDSDP-TZMCWYRMSA-N 2 0 249.358 0.293 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000335621916 136239857 /nfs/dbraw/zinc/23/98/57/136239857.db2.gz CAXPFVUSIMEODD-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@H+](CC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000335622372 136239968 /nfs/dbraw/zinc/23/99/68/136239968.db2.gz GXLZKQLTHYHQHW-UHFFFAOYSA-N 3 0 211.353 0.670 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335621942 136240148 /nfs/dbraw/zinc/24/01/48/136240148.db2.gz CMNGCOSXDYTLKJ-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N(C)CC[NH+]1CCCC1 ZINC000418517457 192046319 /nfs/dbraw/zinc/04/63/19/192046319.db2.gz DLCJHZHQVGJJMN-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP CC[NH+](CC)CCC[N@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000191895268 538993437 /nfs/dbraw/zinc/99/34/37/538993437.db2.gz FPABELPOAZCBPY-QWHCGFSZSA-N 2 0 246.395 0.782 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N(C)CC[NH+]1CCCC1 ZINC000418517155 192045976 /nfs/dbraw/zinc/04/59/76/192045976.db2.gz DLCJHZHQVGJJMN-LLVKDONJSA-N 2 0 242.367 0.461 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H](C)C[NH3+] ZINC000418516898 192046461 /nfs/dbraw/zinc/04/64/61/192046461.db2.gz UBGVYBXIVAXOBR-BBBLOLIVSA-N 2 0 228.340 0.245 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)NCCCC[NH3+] ZINC000418516560 192046480 /nfs/dbraw/zinc/04/64/80/192046480.db2.gz XOGRDWUNAHQMLY-NSHDSACASA-N 2 0 242.367 0.509 20 0 BCADRP COCC(C)(C)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000379982911 538983321 /nfs/dbraw/zinc/98/33/21/538983321.db2.gz IKEBTPXFPMIZBI-QWRGUYRKSA-N 2 0 212.337 0.810 20 0 BCADRP CC(C)CC[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390354575 539021003 /nfs/dbraw/zinc/02/10/03/539021003.db2.gz QDVAVCUUVTUJPW-FRRDWIJNSA-N 2 0 226.364 0.935 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335628243 136241318 /nfs/dbraw/zinc/24/13/18/136241318.db2.gz ZEJFGJNAILEDNU-IUCAKERBSA-N 2 0 213.325 0.180 20 0 BCADRP Cc1ncc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)n1C ZINC000668012166 488183699 /nfs/dbraw/zinc/18/36/99/488183699.db2.gz UMQVWOFARKCNBW-SKDRFNHKSA-N 2 0 223.320 0.931 20 0 BCADRP CC[NH+]1CCC(C[NH2+][C@@H](C)CC(N)=O)CC1 ZINC000390530661 539026026 /nfs/dbraw/zinc/02/60/26/539026026.db2.gz IJAKCQCUFLMJSH-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP CC[NH+]1CCC(C[NH2+][C@H](C)CC(N)=O)CC1 ZINC000390530663 539026210 /nfs/dbraw/zinc/02/62/10/539026210.db2.gz IJAKCQCUFLMJSH-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+]C1(C(=O)N2CCC3(CC[NH2+]3)CC2)CCCC1 ZINC000335634328 136241933 /nfs/dbraw/zinc/24/19/33/136241933.db2.gz ZEZDJKBUPFNKTL-UHFFFAOYSA-N 2 0 237.347 0.612 20 0 BCADRP [NH3+]C1(CNC(=O)NCC[C@H]2CCC[NH2+]2)CCC1 ZINC000418531264 192048659 /nfs/dbraw/zinc/04/86/59/192048659.db2.gz WMLZUYBLWFEFBB-SNVBAGLBSA-N 2 0 240.351 0.309 20 0 BCADRP C[C@H]1CCN(C(=O)CC[NH2+]C2CC2)C[C@@H]1C[NH3+] ZINC000584004202 342899933 /nfs/dbraw/zinc/89/99/33/342899933.db2.gz CUXIHEOQRICIHZ-QWRGUYRKSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000309779948 342896564 /nfs/dbraw/zinc/89/65/64/342896564.db2.gz MQUFNMVVNRCCEP-AEJSXWLSSA-N 2 0 213.325 0.038 20 0 BCADRP CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418558912 192050211 /nfs/dbraw/zinc/05/02/11/192050211.db2.gz CDCMYDDMGKLORP-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418555785 192050407 /nfs/dbraw/zinc/05/04/07/192050407.db2.gz DULAWZQGGHTKOS-LPEHRKFASA-N 2 0 228.340 0.021 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000418555898 192050616 /nfs/dbraw/zinc/05/06/16/192050616.db2.gz DXBJUJCWCZMLFC-GMTAPVOTSA-N 2 0 240.351 0.117 20 0 BCADRP C[NH+](C)CCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418572182 192052200 /nfs/dbraw/zinc/05/22/00/192052200.db2.gz SHKLPYXZDVJACZ-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756559 398326026 /nfs/dbraw/zinc/32/60/26/398326026.db2.gz WXLAZAZLDPAGJB-NSHDSACASA-N 2 0 212.337 0.785 20 0 BCADRP C[NH+]1CCC2(CCN(Cc3cn[nH]n3)C2)CC1 ZINC000639756431 398326046 /nfs/dbraw/zinc/32/60/46/398326046.db2.gz VEHNHYHAXGZQKZ-UHFFFAOYSA-N 2 0 235.335 0.722 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023805 342916423 /nfs/dbraw/zinc/91/64/23/342916423.db2.gz SZPAPAYGOCOIHD-LPEHRKFASA-N 2 0 211.309 0.077 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418578284 192053170 /nfs/dbraw/zinc/05/31/70/192053170.db2.gz PXZTWFFTJJVJCT-HBNTYKKESA-N 2 0 240.351 0.036 20 0 BCADRP C[NH+](C)CCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418572183 192052037 /nfs/dbraw/zinc/05/20/37/192052037.db2.gz SHKLPYXZDVJACZ-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP [NH3+]C1(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CCC1 ZINC000648106693 398327266 /nfs/dbraw/zinc/32/72/66/398327266.db2.gz NJDURCZLOAEKLM-UHFFFAOYSA-N 2 0 246.314 0.547 20 0 BCADRP CC[N@@H+]1C[C@@H](C)N(C(=O)N[C@@H](C)C[NH3+])C[C@H]1C ZINC000418583833 192053341 /nfs/dbraw/zinc/05/33/41/192053341.db2.gz ATXJBCXALGQJGT-HBNTYKKESA-N 2 0 242.367 0.458 20 0 BCADRP CC(C)(C[NH3+])NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418585400 192053631 /nfs/dbraw/zinc/05/36/31/192053631.db2.gz PMNXSHDOJTZTFY-IUCAKERBSA-N 2 0 228.340 0.293 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418584385 192053646 /nfs/dbraw/zinc/05/36/46/192053646.db2.gz BZEGTMMGTZCYQL-ONGXEEELSA-N 2 0 242.367 0.540 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000418604535 192054978 /nfs/dbraw/zinc/05/49/78/192054978.db2.gz RACVELOKXLJQMC-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000418602710 192054824 /nfs/dbraw/zinc/05/48/24/192054824.db2.gz NUXPSJBYMLRSAL-OUAUKWLOSA-N 2 0 242.367 0.376 20 0 BCADRP CCN(C)C[C@H](O)C[N@H+](CC)C1CC1 ZINC000308552191 346882561 /nfs/dbraw/zinc/88/25/61/346882561.db2.gz XZIDSVCLELERMO-NSHDSACASA-N 2 0 200.326 0.783 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCCC[NH+](C)C ZINC000037481261 342937955 /nfs/dbraw/zinc/93/79/55/342937955.db2.gz QDVJUMFKMIOKBN-NSHDSACASA-N 2 0 215.341 0.572 20 0 BCADRP C[C@H](C(=O)NCC[NH3+])[NH+]1CCCCCC1 ZINC000237391623 398333872 /nfs/dbraw/zinc/33/38/72/398333872.db2.gz NYXFSUYLJGMNNG-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])C1 ZINC000156910824 398339800 /nfs/dbraw/zinc/33/98/00/398339800.db2.gz ZSMIAKKTXAPNLV-IJLUTSLNSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000580312930 346896834 /nfs/dbraw/zinc/89/68/34/346896834.db2.gz PBDNUUOFFOUJLK-MMWGEVLESA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000037821690 342953537 /nfs/dbraw/zinc/95/35/37/342953537.db2.gz WOVFKHGWUIETAS-SNVBAGLBSA-N 2 0 213.325 0.134 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351830768 136256117 /nfs/dbraw/zinc/25/61/17/136256117.db2.gz UCBFLNXGUMRJEQ-GHMZBOCLSA-N 2 0 241.379 0.947 20 0 BCADRP CCCCNC(=O)CC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351856800 136258159 /nfs/dbraw/zinc/25/81/59/136258159.db2.gz WKXDBNUEMFNMKP-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000351859153 136258522 /nfs/dbraw/zinc/25/85/22/136258522.db2.gz BOJRKXCDTFLFPJ-HOSYDEDBSA-N 2 0 237.347 0.419 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000518345597 259339585 /nfs/dbraw/zinc/33/95/85/259339585.db2.gz LWYVKVFUQAIRQO-YNEHKIRRSA-N 2 0 247.342 0.596 20 0 BCADRP Cc1cc(NC(=O)[C@@H]2C[NH2+]CCO2)ccn1 ZINC000086114035 259340432 /nfs/dbraw/zinc/34/04/32/259340432.db2.gz SRRFMCWYYQAVPW-JTQLQIEISA-N 2 0 221.260 0.317 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000309812946 343016940 /nfs/dbraw/zinc/01/69/40/343016940.db2.gz UQXASUYEYNIZBH-KCJUWKMLSA-N 2 0 213.325 0.357 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050456584 343021965 /nfs/dbraw/zinc/02/19/65/343021965.db2.gz NIWCMYWJJLEFMT-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)C[NH3+] ZINC000418623846 192058049 /nfs/dbraw/zinc/05/80/49/192058049.db2.gz XZDRLJHKIZSUCY-NSHDSACASA-N 2 0 244.383 0.707 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@H](CO)C1 ZINC000309243420 259342625 /nfs/dbraw/zinc/34/26/25/259342625.db2.gz LHDDLKFHYCTJKE-NWDGAFQWSA-N 2 0 230.352 0.003 20 0 BCADRP C[NH2+]CCCN1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000309495052 259343345 /nfs/dbraw/zinc/34/33/45/259343345.db2.gz TUVAQYCYRLLPFI-MNOVXSKESA-N 2 0 215.341 0.034 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000309506995 259343475 /nfs/dbraw/zinc/34/34/75/259343475.db2.gz WEFCXGFSSGVLOP-VHSXEESVSA-N 2 0 213.325 0.087 20 0 BCADRP CCN(C)C[C@@H](O)C[N@H+](C)CC1CCOCC1 ZINC000310386870 259344608 /nfs/dbraw/zinc/34/46/08/259344608.db2.gz KFPDGFRMDJNFDL-CYBMUJFWSA-N 2 0 244.379 0.657 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000224046731 259345003 /nfs/dbraw/zinc/34/50/03/259345003.db2.gz OQQQKSNVYKXHSN-VWYCJHECSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH+](CC)CCCN(C)[C@H](C)C[NH3+] ZINC000074211266 343051430 /nfs/dbraw/zinc/05/14/30/343051430.db2.gz QBUVWLSPJYRUGM-LLVKDONJSA-N 2 0 201.358 0.997 20 0 BCADRP C[C@@]1(C(=O)NCC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000118962646 343063627 /nfs/dbraw/zinc/06/36/27/343063627.db2.gz PZJWCIQAPXQSLR-LBPRGKRZSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@@H](CCCO)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000384344588 343091960 /nfs/dbraw/zinc/09/19/60/343091960.db2.gz CTRBQLRSXOCZGI-STQMWFEESA-N 2 0 244.379 0.441 20 0 BCADRP [NH3+][C@@H]1CC=C(c2nc(C3([NH3+])CCC3)no2)C1 ZINC000634556619 362046367 /nfs/dbraw/zinc/04/63/67/362046367.db2.gz YVMWFEZYPWCRIQ-MRVPVSSYSA-N 2 0 220.276 0.912 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH3+])C1)[C@@H](C)[NH3+] ZINC000576872505 365708639 /nfs/dbraw/zinc/70/86/39/365708639.db2.gz REVSTOMLAAZMNG-KXUCPTDWSA-N 2 0 213.325 0.165 20 0 BCADRP C[NH2+]CCNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000237075933 343121251 /nfs/dbraw/zinc/12/12/51/343121251.db2.gz ATOQIBKTABWNAX-LLVKDONJSA-N 2 0 221.304 0.065 20 0 BCADRP CCCN(C(=O)[C@@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000236809211 343112961 /nfs/dbraw/zinc/11/29/61/343112961.db2.gz KRKUFXLYFAWMBK-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000236888679 343113531 /nfs/dbraw/zinc/11/35/31/343113531.db2.gz YAQQAZLSDNSLLH-VWYCJHECSA-N 2 0 227.352 0.557 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH2+]C ZINC000236864627 343113567 /nfs/dbraw/zinc/11/35/67/343113567.db2.gz IIAQBNZFNSOVCI-IUCAKERBSA-N 2 0 201.314 0.086 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000576872508 365709983 /nfs/dbraw/zinc/70/99/83/365709983.db2.gz REVSTOMLAAZMNG-LPEHRKFASA-N 2 0 213.325 0.165 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000236938702 343115747 /nfs/dbraw/zinc/11/57/47/343115747.db2.gz GRJVHGSTRUIJHY-MXWKQRLJSA-N 2 0 227.352 0.476 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@H](C)C[NH2+]C)CC1 ZINC000236993741 343116828 /nfs/dbraw/zinc/11/68/28/343116828.db2.gz FHEJBGDVJXVLPT-LLVKDONJSA-N 2 0 241.379 0.690 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000236990222 343117289 /nfs/dbraw/zinc/11/72/89/343117289.db2.gz BQZKZMCXJKDDOJ-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000092956338 343150214 /nfs/dbraw/zinc/15/02/14/343150214.db2.gz YCIYVYCLTPBMLF-CMPLNLGQSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]CC1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000569692112 323037076 /nfs/dbraw/zinc/03/70/76/323037076.db2.gz YYDCIUSUADWWOA-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000237546878 343147762 /nfs/dbraw/zinc/14/77/62/343147762.db2.gz LNYHFCCJZCFORA-ZWNOBZJWSA-N 2 0 247.342 0.584 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000370778925 343125727 /nfs/dbraw/zinc/12/57/27/343125727.db2.gz IMKVQKUGBBHIJA-JQWIXIFHSA-N 2 0 243.326 0.289 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000120575622 343126957 /nfs/dbraw/zinc/12/69/57/343126957.db2.gz ICHOFLCVMUKLSM-SNVBAGLBSA-N 2 0 227.352 0.476 20 0 BCADRP C[NH2+]CCCC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000237125470 343127185 /nfs/dbraw/zinc/12/71/85/343127185.db2.gz PLWZJXPLWVNJAZ-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237197766 343129136 /nfs/dbraw/zinc/12/91/36/343129136.db2.gz ZYUXPOAKFFBACJ-MNOVXSKESA-N 2 0 227.352 0.348 20 0 BCADRP C[NH2+]CCNC(=O)CCC1CC[NH2+]CC1 ZINC000237380357 343135812 /nfs/dbraw/zinc/13/58/12/343135812.db2.gz RNBSFJXLGSQMKG-UHFFFAOYSA-N 2 0 213.325 0.102 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000237406950 343138225 /nfs/dbraw/zinc/13/82/25/343138225.db2.gz QKVXIASCOQQOPB-GARJFASQSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000390186175 259352894 /nfs/dbraw/zinc/35/28/94/259352894.db2.gz LSUAJISLKZPTEU-SCZZXKLOSA-N 2 0 207.277 0.150 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000092956340 343150134 /nfs/dbraw/zinc/15/01/34/343150134.db2.gz YCIYVYCLTPBMLF-JQWIXIFHSA-N 2 0 239.363 0.442 20 0 BCADRP Cn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nn1 ZINC000576944040 365727869 /nfs/dbraw/zinc/72/78/69/365727869.db2.gz QFPCEEPIBBXHGP-NWDGAFQWSA-N 2 0 249.362 0.637 20 0 BCADRP c1ccn2c(c1)nnc2C[NH2+]CC1CC[NH2+]CC1 ZINC000094009621 343151917 /nfs/dbraw/zinc/15/19/17/343151917.db2.gz LMDHUUDOECDASF-UHFFFAOYSA-N 2 0 245.330 0.819 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1CC(=O)N1CCCCC1 ZINC000124599817 343163107 /nfs/dbraw/zinc/16/31/07/343163107.db2.gz VAAPDYJQGXXKMH-RYUDHWBXSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@]1(C(=O)NCC[NH2+]C2CC2)CCCC[NH2+]1 ZINC000237497538 136272172 /nfs/dbraw/zinc/27/21/72/136272172.db2.gz PVBKFKRITISBQV-LBPRGKRZSA-N 2 0 225.336 0.387 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000237462195 136272183 /nfs/dbraw/zinc/27/21/83/136272183.db2.gz PEYBLINOGHQUTJ-DGCLKSJQSA-N 2 0 249.358 0.623 20 0 BCADRP Cn1ccc(C[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000123881794 343166502 /nfs/dbraw/zinc/16/65/02/343166502.db2.gz PBSMEYCYBJEHQQ-UHFFFAOYSA-N 2 0 222.336 0.981 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000126466474 343170068 /nfs/dbraw/zinc/17/00/68/343170068.db2.gz YJWSOEKJMZMPQH-GRYCIOLGSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCN1CCOCC1 ZINC000133615405 343185644 /nfs/dbraw/zinc/18/56/44/343185644.db2.gz NBGRMQFBHCHYAC-RYUDHWBXSA-N 2 0 227.352 0.130 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[NH+]1CCCCCC1 ZINC000156740234 343198928 /nfs/dbraw/zinc/19/89/28/343198928.db2.gz KKXFUMLQMSVJDM-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](C(=O)N(C)CC1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000156914470 343199334 /nfs/dbraw/zinc/19/93/34/343199334.db2.gz FMKWZMPEXCUCTD-MNOVXSKESA-N 2 0 241.379 0.770 20 0 BCADRP C[C@H](CC(=O)N1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000157012283 343199341 /nfs/dbraw/zinc/19/93/41/343199341.db2.gz VWAYPTYQOYVYIE-NEPJUHHUSA-N 2 0 239.363 0.444 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000161019190 343204239 /nfs/dbraw/zinc/20/42/39/343204239.db2.gz IZAWSQWZDAUOGW-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164381144 343207841 /nfs/dbraw/zinc/20/78/41/343207841.db2.gz YLDPFLSOKLPWID-AXFHLTTASA-N 2 0 225.336 0.134 20 0 BCADRP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)[C@H](C)[NH3+] ZINC000165391489 343211384 /nfs/dbraw/zinc/21/13/84/343211384.db2.gz JUDJUOCBIVYZMH-VWYCJHECSA-N 2 0 227.352 0.428 20 0 BCADRP [NH3+][C@H](CNC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000237959288 343220566 /nfs/dbraw/zinc/22/05/66/343220566.db2.gz FDXULIYFYJGCEQ-CYBMUJFWSA-N 2 0 247.342 0.802 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000237977283 343221120 /nfs/dbraw/zinc/22/11/20/343221120.db2.gz FFFZKPTWEUQPMF-HBNTYKKESA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCn1cccn1 ZINC000133594179 343190947 /nfs/dbraw/zinc/19/09/47/343190947.db2.gz QHQYNCHCJOGMSG-MNOVXSKESA-N 2 0 208.309 0.695 20 0 BCADRP C(C1CC1)[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000043802728 488208843 /nfs/dbraw/zinc/20/88/43/488208843.db2.gz UHWUYVFZVAGNQN-CYBMUJFWSA-N 2 0 239.363 0.002 20 0 BCADRP [NH3+][C@H](CNC(=O)CC1CC[NH2+]CC1)C1CC1 ZINC000237964651 136280719 /nfs/dbraw/zinc/28/07/19/136280719.db2.gz ODBBZOAPMXGTJK-LLVKDONJSA-N 2 0 225.336 0.230 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N(C)CCC[NH2+]C ZINC000087471788 136281489 /nfs/dbraw/zinc/28/14/89/136281489.db2.gz QBZWUOWSPZRTBV-NSHDSACASA-N 2 0 215.341 0.572 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000418697238 192061435 /nfs/dbraw/zinc/06/14/35/192061435.db2.gz LPYFCIBDCWRFRC-VLEAKVRGSA-N 2 0 242.367 0.456 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418695544 192061455 /nfs/dbraw/zinc/06/14/55/192061455.db2.gz JMDNDCFUPMNIEP-HBNTYKKESA-N 2 0 244.383 0.737 20 0 BCADRP C[C@@H]1CC[C@H](C[NH2+]C2(CO)CC[NH2+]CC2)O1 ZINC000634688309 343247102 /nfs/dbraw/zinc/24/71/02/343247102.db2.gz PBLYUSRGQZSHNI-GHMZBOCLSA-N 2 0 228.336 0.258 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000121333023 343265004 /nfs/dbraw/zinc/26/50/04/343265004.db2.gz HZBMMSYYVDRPJX-NWDGAFQWSA-N 2 0 241.379 0.738 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000418703078 192062010 /nfs/dbraw/zinc/06/20/10/192062010.db2.gz BENWIVWUXIQQKN-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000418703080 192062093 /nfs/dbraw/zinc/06/20/93/192062093.db2.gz BENWIVWUXIQQKN-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC1CC[NH+](C)CC1 ZINC000069839111 343292365 /nfs/dbraw/zinc/29/23/65/343292365.db2.gz KLPDCSAUXRTKOX-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC[N@H+](C)C1CC1 ZINC000069840280 343292492 /nfs/dbraw/zinc/29/24/92/343292492.db2.gz WCJPFNHLONEAKM-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP CCC[NH+]1CCC(NC(=O)CC2([NH3+])CC2)CC1 ZINC000398125013 488211197 /nfs/dbraw/zinc/21/11/97/488211197.db2.gz IBSNBCIZNMFPLJ-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000584051625 343306797 /nfs/dbraw/zinc/30/67/97/343306797.db2.gz ITJGETIMAZNMRN-BBBLOLIVSA-N 2 0 230.356 0.362 20 0 BCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000335613221 136295536 /nfs/dbraw/zinc/29/55/36/136295536.db2.gz TWICHOCDOZZTIA-GHMZBOCLSA-N 2 0 240.351 0.084 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335626884 136299774 /nfs/dbraw/zinc/29/97/74/136299774.db2.gz KXUJQRXNHIROJY-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](CNC(=O)C[C@H](C)[NH3+])C[NH+]1CCCCC1 ZINC000038042302 343367391 /nfs/dbraw/zinc/36/73/91/343367391.db2.gz LHAWLSLQGXWFNE-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000335638361 136303048 /nfs/dbraw/zinc/30/30/48/136303048.db2.gz KJBSXULNJMXPBQ-KOLCDFICSA-N 2 0 239.363 0.570 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000335652782 136305659 /nfs/dbraw/zinc/30/56/59/136305659.db2.gz BBBQZENWAVTRSK-BDAKNGLRSA-N 2 0 247.289 0.099 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)CC1([NH3+])CC1 ZINC000398183215 488213991 /nfs/dbraw/zinc/21/39/91/488213991.db2.gz XWDZCHDMHZEZAA-UHFFFAOYSA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000335662258 136315324 /nfs/dbraw/zinc/31/53/24/136315324.db2.gz IFNAFCJNOQFLJO-GHMZBOCLSA-N 2 0 239.363 0.892 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000335662883 136315746 /nfs/dbraw/zinc/31/57/46/136315746.db2.gz POWSHCCYEDTQIO-JGZJWPJOSA-N 2 0 231.299 0.966 20 0 BCADRP O=C(N1CCC2(CC[NH2+]C2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000335663168 136316146 /nfs/dbraw/zinc/31/61/46/136316146.db2.gz UCIXZADVRXRUEN-RISCZKNCSA-N 2 0 249.358 0.341 20 0 BCADRP CC(C)CNC(=O)CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166236349 136316297 /nfs/dbraw/zinc/31/62/97/136316297.db2.gz FQPCSAFEWYSKEE-GHMZBOCLSA-N 2 0 227.352 0.428 20 0 BCADRP C[N@H+](CCCO)CCC[NH+]1CCCC1 ZINC000196210217 346936220 /nfs/dbraw/zinc/93/62/20/346936220.db2.gz KSOHFHMLCPGCIZ-UHFFFAOYSA-N 2 0 200.326 0.787 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000040827136 343410266 /nfs/dbraw/zinc/41/02/66/343410266.db2.gz SVYOTDPACJPRGH-IUCAKERBSA-N 2 0 241.360 0.814 20 0 BCADRP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)CN(C)CCOC ZINC000310292751 343419458 /nfs/dbraw/zinc/41/94/58/343419458.db2.gz RVPOAMMJNNKJNS-RWMBFGLXSA-N 2 0 246.395 0.950 20 0 BCADRP CC(C)[C@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000166322474 136344621 /nfs/dbraw/zinc/34/46/21/136344621.db2.gz HVYSWSRDPVGHDG-NSHDSACASA-N 2 0 200.326 0.940 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335732787 136349563 /nfs/dbraw/zinc/34/95/63/136349563.db2.gz SHVNNXQXDOHTIL-GFCCVEGCSA-N 2 0 225.336 0.198 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335734675 136349818 /nfs/dbraw/zinc/34/98/18/136349818.db2.gz VIYOYWKXGVTUJH-AAEUAGOBSA-N 2 0 239.363 0.444 20 0 BCADRP CCN1C[C@@H](C)[C@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000349189140 136330928 /nfs/dbraw/zinc/33/09/28/136330928.db2.gz FEWZOYQLRVOSCX-CHWSQXEVSA-N 2 0 243.395 0.494 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000418704405 192062992 /nfs/dbraw/zinc/06/29/92/192062992.db2.gz CSHGCOWRGAUMDL-SECBINFHSA-N 2 0 230.356 0.350 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000335718450 136340310 /nfs/dbraw/zinc/34/03/10/136340310.db2.gz JTWXPUXKMXZDHF-VXGBXAGGSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[N@H+](C)CC1 ZINC000082249323 343437544 /nfs/dbraw/zinc/43/75/44/343437544.db2.gz BEIUZAFDKDJMDP-JTQLQIEISA-N 2 0 213.325 0.006 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000576986885 365744191 /nfs/dbraw/zinc/74/41/91/365744191.db2.gz ZDHJYLKGCLHIDD-MNOVXSKESA-N 2 0 227.352 0.490 20 0 BCADRP CN(C[C@H](O)C[N@H+](C)CC1(O)CCC1)C1CC1 ZINC000351578965 136369100 /nfs/dbraw/zinc/36/91/00/136369100.db2.gz IKECKKJGPPTCKH-GFCCVEGCSA-N 2 0 242.363 0.288 20 0 BCADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)C ZINC000616489212 343475055 /nfs/dbraw/zinc/47/50/55/343475055.db2.gz RTAJQCKFFCHFBT-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP CC[NH+]1CCC([NH2+]CC[C@@H](C)O)CC1 ZINC000082992882 343470330 /nfs/dbraw/zinc/47/03/30/343470330.db2.gz WLCHPDYZRAQBTO-SNVBAGLBSA-N 2 0 200.326 0.831 20 0 BCADRP COC[C@H](C)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000379941974 365756249 /nfs/dbraw/zinc/75/62/49/365756249.db2.gz ZEXVHYUWKDVWPG-NEPJUHHUSA-N 2 0 212.337 0.954 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC1CC[NH+](C)CC1 ZINC000044526685 343505551 /nfs/dbraw/zinc/50/55/51/343505551.db2.gz MGCXOXNRVBTRMH-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP CN1CC[C@@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1=O ZINC000310539922 343528602 /nfs/dbraw/zinc/52/86/02/343528602.db2.gz BXQBVERGDFMJQI-GRYCIOLGSA-N 2 0 237.347 0.149 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000580554698 365760230 /nfs/dbraw/zinc/76/02/30/365760230.db2.gz YACSWJVKTPQRRB-SNVBAGLBSA-N 2 0 239.363 0.620 20 0 BCADRP CC[C@@H]1CO[C@H](C)CN1C[C@H](O)C[N@H+](C)CC ZINC000310564995 343537638 /nfs/dbraw/zinc/53/76/38/343537638.db2.gz XCYLXCRGNZBMOJ-JHJVBQTASA-N 2 0 244.379 0.798 20 0 BCADRP CC[NH+]1CCC(NC(=O)C2([NH3+])CC2)CC1 ZINC000083835099 343503855 /nfs/dbraw/zinc/50/38/55/343503855.db2.gz JKFCNAXQHWRVHD-UHFFFAOYSA-N 2 0 211.309 0.078 20 0 BCADRP CC(C)[C@@H](C(=O)N(C)CC1C[NH+](C)C1)[NH+](C)C ZINC000618192173 343583037 /nfs/dbraw/zinc/58/30/37/343583037.db2.gz FJKLGSDUFVQQDB-LBPRGKRZSA-N 2 0 241.379 0.593 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NC(C)(C)C[NH+](C)C ZINC000418707895 192063469 /nfs/dbraw/zinc/06/34/69/192063469.db2.gz GSFCGHOYCDYKTQ-VIFPVBQESA-N 2 0 230.356 0.363 20 0 BCADRP C[NH+](C)CC(=O)NC1CCC([NH+](C)C)CC1 ZINC000622727380 343579245 /nfs/dbraw/zinc/57/92/45/343579245.db2.gz OUTDYRGEJDTWST-UHFFFAOYSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000577054753 365786790 /nfs/dbraw/zinc/78/67/90/365786790.db2.gz JCAKOZPROOMONX-WISYIIOYSA-N 2 0 239.363 0.476 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC(CC[NH3+])CC1 ZINC000580577557 365788809 /nfs/dbraw/zinc/78/88/09/365788809.db2.gz CWOCGBKHOBEYEC-SNVBAGLBSA-N 2 0 227.352 0.429 20 0 BCADRP COCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051957810 343630564 /nfs/dbraw/zinc/63/05/64/343630564.db2.gz QEMQNOLGJZGDAK-UHFFFAOYSA-N 2 0 242.363 0.677 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621619872 343676678 /nfs/dbraw/zinc/67/66/78/343676678.db2.gz IMWYHQYWTSRYCV-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621653074 343693050 /nfs/dbraw/zinc/69/30/50/343693050.db2.gz OSKWDRDIESXVOD-QWRGUYRKSA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C1([NH3+])CCC1 ZINC000088051036 343698194 /nfs/dbraw/zinc/69/81/94/343698194.db2.gz BVZWNPWQEHTCBN-UHFFFAOYSA-N 2 0 213.325 0.324 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C[NH2+]C1CC1 ZINC000153922339 343706027 /nfs/dbraw/zinc/70/60/27/343706027.db2.gz NPEWLLPBPWVEGZ-UHFFFAOYSA-N 2 0 213.325 0.372 20 0 BCADRP O=C(C[NH2+]C1CC1)NCC[C@H]1CCC[NH2+]C1 ZINC000153920766 343706279 /nfs/dbraw/zinc/70/62/79/343706279.db2.gz OSKAWNQSBDVEGU-SNVBAGLBSA-N 2 0 225.336 0.244 20 0 BCADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000576099225 343708155 /nfs/dbraw/zinc/70/81/55/343708155.db2.gz LHVYSLIYAJAWSB-PZWNZHSQSA-N 2 0 228.336 0.506 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000154049666 343709400 /nfs/dbraw/zinc/70/94/00/343709400.db2.gz SEOOCRRTFZDONG-QWRGUYRKSA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000418725425 192064639 /nfs/dbraw/zinc/06/46/39/192064639.db2.gz LCSIIQCXHHCVNZ-VWYCJHECSA-N 2 0 242.367 0.635 20 0 BCADRP CCC[C@H](C)[NH2+]CCN1CC[C@H](O)C1 ZINC000624333029 343716268 /nfs/dbraw/zinc/71/62/68/343716268.db2.gz GRAZIIMXODWFRP-QWRGUYRKSA-N 2 0 200.326 0.831 20 0 BCADRP [NH3+][C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000577059939 365797729 /nfs/dbraw/zinc/79/77/29/365797729.db2.gz DBKZXGPBVIVYTR-GRYCIOLGSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C1([NH3+])CCC1 ZINC000584231076 343775996 /nfs/dbraw/zinc/77/59/96/343775996.db2.gz WQTXTEVWBOZFLF-DTWKUNHWSA-N 2 0 211.309 0.064 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000418731260 192065392 /nfs/dbraw/zinc/06/53/92/192065392.db2.gz PTDMTUFHDTXSRB-AEJSXWLSSA-N 2 0 228.340 0.116 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000418738168 192065477 /nfs/dbraw/zinc/06/54/77/192065477.db2.gz WUSAVLIAKPMMAO-AEJSXWLSSA-N 2 0 228.340 0.116 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000262684254 349863258 /nfs/dbraw/zinc/86/32/58/349863258.db2.gz ZRBPADDAGASXQW-TUAOUCFPSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[C@](C)(CN)[NH2+]CC1CC[NH2+]CC1 ZINC000381034809 343809564 /nfs/dbraw/zinc/80/95/64/343809564.db2.gz AEEDCWKSQCJYKS-LBPRGKRZSA-N 2 0 213.369 0.949 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000594869858 537826489 /nfs/dbraw/zinc/82/64/89/537826489.db2.gz ARCMPHYGUZWYND-NWDGAFQWSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000069840026 343943632 /nfs/dbraw/zinc/94/36/32/343943632.db2.gz KHXXMVWCDNFTLB-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000577219757 343931590 /nfs/dbraw/zinc/93/15/90/343931590.db2.gz AACIQJDUDOAMPB-VIFPVBQESA-N 2 0 227.352 0.476 20 0 BCADRP C[C@H]1CN(C(=O)C2([NH3+])CCCC2)CC[C@@H]1[NH3+] ZINC000335892271 344044705 /nfs/dbraw/zinc/04/47/05/344044705.db2.gz CLYKYTMNVYXLMZ-UWVGGRQHSA-N 2 0 225.336 0.454 20 0 BCADRP CC[C@H]([NH3+])c1cn(CC2CC[NH2+]CC2)nn1 ZINC000641232695 362285229 /nfs/dbraw/zinc/28/52/29/362285229.db2.gz JKEKRCDUKLFICK-JTQLQIEISA-N 2 0 223.324 0.688 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000129072227 343961883 /nfs/dbraw/zinc/96/18/83/343961883.db2.gz KOROXIAVZOAAGT-OPRDCNLKSA-N 2 0 213.325 0.452 20 0 BCADRP c1c(C[C@H]2CC[NH2+]C2)nnn1CC1CC[NH2+]CC1 ZINC000641233794 362285844 /nfs/dbraw/zinc/28/58/44/362285844.db2.gz ZAOPBPCOXXNZJE-GFCCVEGCSA-N 2 0 249.362 0.430 20 0 BCADRP c1c(C[NH2+]C2CC2)nnn1CC1CC[NH2+]CC1 ZINC000641233811 362285892 /nfs/dbraw/zinc/28/58/92/362285892.db2.gz ZXQKXKFXEMKZON-UHFFFAOYSA-N 2 0 235.335 0.530 20 0 BCADRP O=C(C[NH2+]CC1CC1)NC[C@@H]1CCC[NH2+]C1 ZINC000130011058 344102846 /nfs/dbraw/zinc/10/28/46/344102846.db2.gz LWOFHOKXSNPATF-LLVKDONJSA-N 2 0 225.336 0.102 20 0 BCADRP [NH3+]C/C=C/CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000641285249 362345996 /nfs/dbraw/zinc/34/59/96/362345996.db2.gz GLPSIQIUGCERAQ-UFFNRZRYSA-N 2 0 240.351 0.318 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634733747 344113765 /nfs/dbraw/zinc/11/37/65/344113765.db2.gz MUNPLJPMZNVAEF-DGAVXFQQSA-N 2 0 237.391 0.964 20 0 BCADRP c1cn2c(n1)C[C@@H](NCc1csnn1)CC2 ZINC000381196433 344173710 /nfs/dbraw/zinc/17/37/10/344173710.db2.gz AGXGJAGBNQKRTM-QMMMGPOBSA-N 2 0 235.316 0.839 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000570716875 323068418 /nfs/dbraw/zinc/06/84/18/323068418.db2.gz FBCLFQJVJWUQOG-GVXVVHGQSA-N 2 0 239.363 0.572 20 0 BCADRP c1ncn(CC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000381185606 344133307 /nfs/dbraw/zinc/13/33/07/344133307.db2.gz MCMHJZSQFQQMAW-CYBMUJFWSA-N 2 0 249.362 0.742 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000130356092 344134348 /nfs/dbraw/zinc/13/43/48/344134348.db2.gz YUSDQYLSNVRRIO-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000130509446 344143282 /nfs/dbraw/zinc/14/32/82/344143282.db2.gz LUXVWMSKEUONJL-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+][C@H](C)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000570738711 323068831 /nfs/dbraw/zinc/06/88/31/323068831.db2.gz KYTMKUSYBVSMBA-ZJUUUORDSA-N 2 0 227.352 0.489 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000131096901 344238961 /nfs/dbraw/zinc/23/89/61/344238961.db2.gz SQRXTQOQOHDIOD-GFCCVEGCSA-N 2 0 249.314 0.462 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCOCCO)CC[N@@H+]1C ZINC000129749031 344214368 /nfs/dbraw/zinc/21/43/68/344214368.db2.gz SXKWBEVMVLZQQE-GHMZBOCLSA-N 2 0 216.325 0.068 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000130463893 344221953 /nfs/dbraw/zinc/22/19/53/344221953.db2.gz BHULJQABRSTKKV-WCBMZHEXSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H]([NH3+])CC[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000622045176 344230109 /nfs/dbraw/zinc/23/01/09/344230109.db2.gz FUEDOENLQNJRFQ-JTQLQIEISA-N 2 0 242.367 0.459 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634750141 344193058 /nfs/dbraw/zinc/19/30/58/344193058.db2.gz OEGBFHSZHDGHJQ-WCFLWFBJSA-N 2 0 239.363 0.428 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634753103 344204938 /nfs/dbraw/zinc/20/49/38/344204938.db2.gz YFGGCNYNKQNKPT-JTQLQIEISA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752682 344205019 /nfs/dbraw/zinc/20/50/19/344205019.db2.gz QRPUHOCXQCCUMS-LLVKDONJSA-N 2 0 241.379 0.880 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752948 344205473 /nfs/dbraw/zinc/20/54/73/344205473.db2.gz VUZMOILIVFCIBN-GHMZBOCLSA-N 2 0 241.379 0.736 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761609 344252078 /nfs/dbraw/zinc/25/20/78/344252078.db2.gz FOLAMFMPLYEXSC-GARJFASQSA-N 2 0 241.379 0.864 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761613 344252367 /nfs/dbraw/zinc/25/23/67/344252367.db2.gz FSSGTYPVJMWTRX-SNVBAGLBSA-N 2 0 227.352 0.490 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768216 344280164 /nfs/dbraw/zinc/28/01/64/344280164.db2.gz ALVFKRYZJYNHHS-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768788 344280699 /nfs/dbraw/zinc/28/06/99/344280699.db2.gz YVLPMXBFQQTJGW-DCQANWLSSA-N 2 0 237.347 0.243 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634769758 344283947 /nfs/dbraw/zinc/28/39/47/344283947.db2.gz NLPBFZPUCORWIY-SCVCMEIPSA-N 2 0 225.336 0.243 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000131704786 344325186 /nfs/dbraw/zinc/32/51/86/344325186.db2.gz LRKCNVVYFQAJAQ-NSHDSACASA-N 2 0 227.352 0.490 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000573605422 344326403 /nfs/dbraw/zinc/32/64/03/344326403.db2.gz QNBQAFMDGFZTTL-WDEREUQCSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]([NH3+])CCSC)C1 ZINC000131774647 344334153 /nfs/dbraw/zinc/33/41/53/344334153.db2.gz FHYGREVZVFTNOS-NXEZZACHSA-N 2 0 245.392 0.277 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]([NH3+])C(C)C ZINC000131816483 344334867 /nfs/dbraw/zinc/33/48/67/344334867.db2.gz LBTPUQWVCRZNHC-JTQLQIEISA-N 2 0 215.341 0.474 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCC(C)(C)[NH+](C)C ZINC000040807237 344357382 /nfs/dbraw/zinc/35/73/82/344357382.db2.gz PNGIBCFBAIBQCI-QMMMGPOBSA-N 2 0 201.314 0.180 20 0 BCADRP COC(=O)CCCC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000600712144 344361779 /nfs/dbraw/zinc/36/17/79/344361779.db2.gz WZDBERXHNCSAFK-UHFFFAOYSA-N 2 0 244.335 0.034 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@H](O)CN(C)CC)C[C@H]1O ZINC000400090026 344301580 /nfs/dbraw/zinc/30/15/80/344301580.db2.gz SXZRDAQWMMZPGU-IJLUTSLNSA-N 2 0 230.352 0.002 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000092950484 344306206 /nfs/dbraw/zinc/30/62/06/344306206.db2.gz FVFCUTADTXIIIY-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000092949839 344306290 /nfs/dbraw/zinc/30/62/90/344306290.db2.gz PQDZXODDABFSBV-WDEREUQCSA-N 2 0 241.379 0.688 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CCC[NH3+])CC[N@@H+]1C ZINC000132972143 344310114 /nfs/dbraw/zinc/31/01/14/344310114.db2.gz AITRGLNQLWBZBM-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H](C(=O)NCC[C@H]1CCC[NH2+]C1)C1C[NH2+]C1 ZINC000584290242 344425087 /nfs/dbraw/zinc/42/50/87/344425087.db2.gz NOSANBXMOFMOIS-GHMZBOCLSA-N 2 0 239.363 0.348 20 0 BCADRP Cc1cc(C)n(CCN2C[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000385208770 344376462 /nfs/dbraw/zinc/37/64/62/344376462.db2.gz CZKPFHGVXSCNHT-JQWIXIFHSA-N 2 0 222.336 0.921 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000600947419 344400928 /nfs/dbraw/zinc/40/09/28/344400928.db2.gz SVACIBAQXWMPHK-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000236789161 344403012 /nfs/dbraw/zinc/40/30/12/344403012.db2.gz CUHPAMXAUSNYCF-LLVKDONJSA-N 2 0 239.363 0.572 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000236826421 344406868 /nfs/dbraw/zinc/40/68/68/344406868.db2.gz ORIHFUPZTXAHHN-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1C[NH3+] ZINC000380836396 344442847 /nfs/dbraw/zinc/44/28/47/344442847.db2.gz RRJNUHUBKHMGNS-WDEREUQCSA-N 2 0 223.324 0.195 20 0 BCADRP C[C@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042396070 344452349 /nfs/dbraw/zinc/45/23/49/344452349.db2.gz DLJFCDVFAHOXJD-JTQLQIEISA-N 2 0 200.326 0.641 20 0 BCADRP C[N@H+](C[C@H](O)C[NH3+])CC1CCCCC1 ZINC000042492698 344455240 /nfs/dbraw/zinc/45/52/40/344455240.db2.gz RZHZBNNOUGMLQL-LLVKDONJSA-N 2 0 200.326 0.818 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000159001670 344483289 /nfs/dbraw/zinc/48/32/89/344483289.db2.gz UCWNAOSNBHTRHZ-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP CC[NH+]1CCC(N[C@@H]2CCC[NH2+]C2)CC1 ZINC000043327422 344489400 /nfs/dbraw/zinc/48/94/00/344489400.db2.gz AJGMAYAJTPBQSW-GFCCVEGCSA-N 2 0 211.353 0.812 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000044798060 344547887 /nfs/dbraw/zinc/54/78/87/344547887.db2.gz SUJWPCLAFPLPDZ-VIFPVBQESA-N 2 0 215.341 0.285 20 0 BCADRP C[C@H](CNC(=O)C(C)(C)C[NH3+])[NH+](C)C ZINC000045108016 344558798 /nfs/dbraw/zinc/55/87/98/344558798.db2.gz PROBTVHUIHZLKD-MRVPVSSYSA-N 2 0 201.314 0.038 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000641443352 362420961 /nfs/dbraw/zinc/42/09/61/362420961.db2.gz TWKCHOCZTDJTDW-SNVBAGLBSA-N 2 0 240.351 0.071 20 0 BCADRP CC[NH+](CC)CC1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000037826225 344593490 /nfs/dbraw/zinc/59/34/90/344593490.db2.gz ZBBGEDIFJXLUGD-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826164 344593547 /nfs/dbraw/zinc/59/35/47/344593547.db2.gz DPNSYNAYWUKCBK-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000641423418 362407587 /nfs/dbraw/zinc/40/75/87/362407587.db2.gz ASYCGBOIHNKMBE-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000641423670 362407882 /nfs/dbraw/zinc/40/78/82/362407882.db2.gz DNRIWVRFLPEXGX-GHMZBOCLSA-N 2 0 242.367 0.458 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H](C)[NH3+])C1 ZINC000641423673 362408052 /nfs/dbraw/zinc/40/80/52/362408052.db2.gz DNRIWVRFLPEXGX-WDEREUQCSA-N 2 0 242.367 0.458 20 0 BCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H](C)[NH3+])C1 ZINC000641425332 362409635 /nfs/dbraw/zinc/40/96/35/362409635.db2.gz OKTKONGBFHATPN-QWRGUYRKSA-N 2 0 242.367 0.506 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH2+]C ZINC000237066940 344587940 /nfs/dbraw/zinc/58/79/40/344587940.db2.gz OQJPNVZWFPXKID-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)C[NH2+]C1CC1 ZINC000309426960 347059919 /nfs/dbraw/zinc/05/99/19/347059919.db2.gz KLGBQOKYNLBZCJ-IUCAKERBSA-N 2 0 211.309 0.077 20 0 BCADRP [NH3+]CCC1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000570937033 323074904 /nfs/dbraw/zinc/07/49/04/323074904.db2.gz DVFMZPMXNUWFME-UHFFFAOYSA-N 2 0 239.363 0.703 20 0 BCADRP C[C@]([NH3+])(C(=O)NCCC[NH3+])c1ccccc1 ZINC000052882707 344682389 /nfs/dbraw/zinc/68/23/89/344682389.db2.gz BULPLCLGTBFELQ-GFCCVEGCSA-N 2 0 221.304 0.326 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)c1coc(C[NH3+])c1 ZINC000309459871 347067927 /nfs/dbraw/zinc/06/79/27/347067927.db2.gz OOQQZUMBTHWOER-ZETCQYMHSA-N 2 0 211.265 0.205 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000309464907 347069543 /nfs/dbraw/zinc/06/95/43/347069543.db2.gz PTDCCCMWGCWDMM-PWSUYJOCSA-N 3 0 211.353 0.798 20 0 BCADRP CN(C[C@H](O)C[N@H+](C)C[C@H]1C[C@@H](O)C1)C1CC1 ZINC000626046477 344697281 /nfs/dbraw/zinc/69/72/81/344697281.db2.gz DXXFBCYHSSCZNP-KGYLQXTDSA-N 2 0 242.363 0.144 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCC[NH3+] ZINC000387528069 344699957 /nfs/dbraw/zinc/69/99/57/344699957.db2.gz JIYPXOVDVYSCRU-SECBINFHSA-N 2 0 215.341 0.476 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000574204924 344708045 /nfs/dbraw/zinc/70/80/45/344708045.db2.gz KVVDKKZURRYZIL-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@H]1CCC[NH2+]1 ZINC000309475409 347070434 /nfs/dbraw/zinc/07/04/34/347070434.db2.gz BTFVHQLRLCYVKK-SNVBAGLBSA-N 2 0 213.325 0.243 20 0 BCADRP Cn1cncc1CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000291259087 537858590 /nfs/dbraw/zinc/85/85/90/537858590.db2.gz PJJJGWZFHQNTNX-GFCCVEGCSA-N 2 0 248.330 0.663 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]C2CCSCC2)CC1 ZINC000077450534 344824668 /nfs/dbraw/zinc/82/46/68/344824668.db2.gz UYJFGSGOQZCLRG-UHFFFAOYSA-N 2 0 244.404 0.928 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)Nc2cnc3c(c2)C[NH2+]CC3)C1 ZINC000648107129 537866143 /nfs/dbraw/zinc/86/61/43/537866143.db2.gz ZRYUPQLGRNIKQR-WAAGHKOSSA-N 2 0 246.314 0.403 20 0 BCADRP CC[C@H](O)C[NH2+][C@H](C)C1=CC[N@H+](C)CC1 ZINC000563014474 323079914 /nfs/dbraw/zinc/07/99/14/323079914.db2.gz WTEWEVHOTQBGRR-PWSUYJOCSA-N 2 0 212.337 0.997 20 0 BCADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C(C)(C)C ZINC000394357015 344899163 /nfs/dbraw/zinc/89/91/63/344899163.db2.gz XVZMOVKOOJPYAA-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000583439672 344963857 /nfs/dbraw/zinc/96/38/57/344963857.db2.gz GNRIDJIRMJMDHG-BJDJZHNGSA-N 2 0 239.363 0.631 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000583447994 344993345 /nfs/dbraw/zinc/99/33/45/344993345.db2.gz TYCOFNCKZBHBFV-AKJDGMEZSA-N 2 0 239.363 0.700 20 0 BCADRP C[NH+](C)C[C@H]1CC[N@H+](CC2(O)CCOCC2)C1 ZINC000153900917 344998676 /nfs/dbraw/zinc/99/86/76/344998676.db2.gz KBEBHGXFKRDLLB-GFCCVEGCSA-N 2 0 242.363 0.411 20 0 BCADRP [NH3+]CC1(NC(=O)C[C@H]2CCC[NH2+]2)CCCC1 ZINC000154387422 345029568 /nfs/dbraw/zinc/02/95/68/345029568.db2.gz CKURKOKQEJPBDK-SNVBAGLBSA-N 2 0 225.336 0.516 20 0 BCADRP [NH3+]CC1(NC(=O)C[C@@H]2CCC[NH2+]2)CCCC1 ZINC000154387319 345029600 /nfs/dbraw/zinc/02/96/00/345029600.db2.gz CKURKOKQEJPBDK-JTQLQIEISA-N 2 0 225.336 0.516 20 0 BCADRP CC(C)[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000319009603 259381835 /nfs/dbraw/zinc/38/18/35/259381835.db2.gz OXNVPPGTRIDUQM-GHMZBOCLSA-N 2 0 200.326 0.999 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C[N@H+](C)C(C)C ZINC000154418571 345034661 /nfs/dbraw/zinc/03/46/61/345034661.db2.gz SQCUOUGCCCKCKH-UHFFFAOYSA-N 2 0 229.368 0.960 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CC[NH2+]C1CC1 ZINC000569623200 345039865 /nfs/dbraw/zinc/03/98/65/345039865.db2.gz MNOJWWFPZHRZIV-CMPLNLGQSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000044428439 345061612 /nfs/dbraw/zinc/06/16/12/345061612.db2.gz PKPAKTWPIZXGLS-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H](C)[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000319032740 259382559 /nfs/dbraw/zinc/38/25/59/259382559.db2.gz SNYYBCCKUCFUEZ-NWDGAFQWSA-N 2 0 213.369 0.916 20 0 BCADRP COC[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000151000348 345165086 /nfs/dbraw/zinc/16/50/86/345165086.db2.gz QEHUXXWSAHYMOI-LBPRGKRZSA-N 2 0 243.395 0.637 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634990830 345173274 /nfs/dbraw/zinc/17/32/74/345173274.db2.gz FEQCKHWVNPYOSQ-GMKTYKIGSA-N 2 0 223.364 0.798 20 0 BCADRP CC(C)[C@H](C[NH3+])CN(C)C1CC[NH2+]CC1 ZINC000634991275 345173946 /nfs/dbraw/zinc/17/39/46/345173946.db2.gz XFJUPZUIWRLXMU-LLVKDONJSA-N 2 0 213.369 0.901 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000634990933 345174208 /nfs/dbraw/zinc/17/42/08/345174208.db2.gz IINVPHOGRKUEJO-UTUOFQBUSA-N 2 0 213.369 0.900 20 0 BCADRP C(N(C1CC1)[C@@H]1CC[NH2+]C1)C12CC(C1)C[NH2+]2 ZINC000634991429 345177929 /nfs/dbraw/zinc/17/79/29/345177929.db2.gz DCYFIILJZDUIKY-YXMLORGKSA-N 2 0 221.348 0.565 20 0 BCADRP CC1([NH2+]CC23CC(C2)C[NH2+]3)CCOCC1 ZINC000634993442 345190398 /nfs/dbraw/zinc/19/03/98/345190398.db2.gz UUWCPHXEAMBDSK-UHFFFAOYSA-N 2 0 210.321 0.897 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C[C@@H](C[NH3+])C(C)C ZINC000634991653 345178490 /nfs/dbraw/zinc/17/84/90/345178490.db2.gz NBGZYTNPLPXWPF-VXGBXAGGSA-N 2 0 213.369 0.901 20 0 BCADRP C(N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C12CC(C1)C[NH2+]2 ZINC000634991701 345178524 /nfs/dbraw/zinc/17/85/24/345178524.db2.gz OTRPCSFQBFXWKH-QBHFIFKDSA-N 2 0 221.348 0.565 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000634991894 345179280 /nfs/dbraw/zinc/17/92/80/345179280.db2.gz VRHBXWGRQHSTFT-IJLUTSLNSA-N 2 0 213.369 0.886 20 0 BCADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1COC[C@H]1O ZINC000323167326 537889306 /nfs/dbraw/zinc/88/93/06/537889306.db2.gz LIWMZJWVGXVQLG-UMSGYPCISA-N 2 0 242.363 0.647 20 0 BCADRP CCCC[C@@H](C[NH3+])NCC12CC(C1)C[NH2+]2 ZINC000634994377 345181528 /nfs/dbraw/zinc/18/15/28/345181528.db2.gz ASXJQBPNEDHAFP-CXQJBGSLSA-N 2 0 211.353 0.846 20 0 BCADRP [NH3+]C[C@H](NCC12CC(C1)C[NH2+]2)C(F)(F)F ZINC000634996807 345181676 /nfs/dbraw/zinc/18/16/76/345181676.db2.gz VXIFYYRYQXMSMM-WTIBDHCWSA-N 2 0 223.242 0.218 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H](C[NH3+])C(C)C ZINC000634994719 345182749 /nfs/dbraw/zinc/18/27/49/345182749.db2.gz LBXZIOYJWYKKEW-SRVKXCTJSA-N 2 0 231.359 0.849 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000634995460 345185004 /nfs/dbraw/zinc/18/50/04/345185004.db2.gz FNCDNGDVZCZVCP-ZYGVAYEYSA-N 2 0 209.337 0.469 20 0 BCADRP C[C@@H]1CN(CC23CC(C2)C[NH2+]3)C[C@@]1(C)C[NH3+] ZINC000634995554 345185041 /nfs/dbraw/zinc/18/50/41/345185041.db2.gz IFGMBJSKFIAEGA-CQLXCSJHSA-N 2 0 223.364 0.655 20 0 BCADRP C[C@@]1(CNCC23CC(C2)C[NH2+]3)CCC[NH2+]C1 ZINC000634995767 345185145 /nfs/dbraw/zinc/18/51/45/345185145.db2.gz OILKTODUXXWIAS-OTTFEQOBSA-N 2 0 223.364 0.718 20 0 BCADRP [NH3+]C[C@H](NCC12CC(C1)C[NH2+]2)C1CCCC1 ZINC000634995615 345185351 /nfs/dbraw/zinc/18/53/51/345185351.db2.gz KOBQECDIGFSJIE-YDGIUTOCSA-N 2 0 223.364 0.846 20 0 BCADRP C(N1CCC2(CC[NH2+]2)CC1)C12CC(C1)C[NH2+]2 ZINC000634996882 345185738 /nfs/dbraw/zinc/18/57/38/345185738.db2.gz XSOAODKUJPZXPD-UHFFFAOYSA-N 2 0 221.348 0.566 20 0 BCADRP [NH3+]CC[C@H](NCC1(C[NH3+])CC1)C(F)F ZINC000634995984 345186189 /nfs/dbraw/zinc/18/61/89/345186189.db2.gz VLUNOAOYGKGVCA-ZETCQYMHSA-N 2 0 207.268 0.297 20 0 BCADRP O=C1CC[C@H]2CN(CC34CC(C3)C[NH2+]4)CC[C@@H]2N1 ZINC000634996907 345186526 /nfs/dbraw/zinc/18/65/26/345186526.db2.gz YRGXGTVMFIDQPX-ATJQQHLPSA-N 2 0 249.358 0.339 20 0 BCADRP COC[C@]1(CNCC23CC(C2)C[NH2+]3)CCC[NH2+]1 ZINC000634996123 345186949 /nfs/dbraw/zinc/18/69/49/345186949.db2.gz ZUTVCAIFSNTQOH-OTTFEQOBSA-N 2 0 239.363 0.097 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000310483928 259382995 /nfs/dbraw/zinc/38/29/95/259382995.db2.gz DNZRNGMKVKKVCT-IJLUTSLNSA-N 2 0 244.379 0.702 20 0 BCADRP CCCCN(C)CC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634961122 345135652 /nfs/dbraw/zinc/13/56/52/345135652.db2.gz LNQYXXNPHCZTFR-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@H]1CC[C@@H](CNCC23CC(C2)C[NH2+]3)O1 ZINC000634996228 345187680 /nfs/dbraw/zinc/18/76/80/345187680.db2.gz DKGRNOYLOFZMQG-VOBJUBJWSA-N 2 0 210.321 0.896 20 0 BCADRP C[NH+](C)C[C@H]1CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634992939 345187947 /nfs/dbraw/zinc/18/79/47/345187947.db2.gz GOHIDCBADZYLSB-PNESKVBLSA-N 2 0 223.364 0.622 20 0 BCADRP C[C@H](O)CN(CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634996486 345188241 /nfs/dbraw/zinc/18/82/41/345188241.db2.gz LIZPOQCYRKIHQE-BMQDGWLCSA-N 2 0 210.321 0.584 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN1CCCO[C@@H](C[NH3+])C1 ZINC000634996578 345188581 /nfs/dbraw/zinc/18/85/81/345188581.db2.gz OIKGNHTWLUKEMF-RYUDHWBXSA-N 2 0 229.368 0.267 20 0 BCADRP C[NH+](C)CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC000635068177 345236839 /nfs/dbraw/zinc/23/68/39/345236839.db2.gz GLZBAQPAHNIGNZ-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[NH+](C)CC2)C1 ZINC000635078130 345242305 /nfs/dbraw/zinc/24/23/05/345242305.db2.gz OSEMRIHUIZXMHX-GFCCVEGCSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@]1(C[NH3+])CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634994252 345192674 /nfs/dbraw/zinc/19/26/74/345192674.db2.gz XAXUJRCHRLYJDC-MOENNCHZSA-N 2 0 209.337 0.409 20 0 BCADRP C[C@@]1(C[NH3+])CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634994251 345192691 /nfs/dbraw/zinc/19/26/91/345192691.db2.gz XAXUJRCHRLYJDC-CXQJBGSLSA-N 2 0 209.337 0.409 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000634994334 345193329 /nfs/dbraw/zinc/19/33/29/345193329.db2.gz ZLCIBMJFNQRSMX-YNEHKIRRSA-N 2 0 225.380 0.901 20 0 BCADRP CCn1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000634998385 345198049 /nfs/dbraw/zinc/19/80/49/345198049.db2.gz FAPKNNVSBPLYSG-ZYHUDNBSSA-N 2 0 222.336 0.930 20 0 BCADRP C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000634998294 345198469 /nfs/dbraw/zinc/19/84/69/345198469.db2.gz CYSGTPQRHPYLFF-UTUOFQBUSA-N 2 0 211.353 0.513 20 0 BCADRP CCn1nccc1CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999821 345201166 /nfs/dbraw/zinc/20/11/66/345201166.db2.gz ZXUUCMSGIDYDQO-GHMZBOCLSA-N 2 0 222.336 0.930 20 0 BCADRP CCC[C@@H](CCO)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000635005310 345209441 /nfs/dbraw/zinc/20/94/41/345209441.db2.gz UFSORBLVWFQXEW-ONGXEEELSA-N 2 0 200.326 0.735 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635006098 345210572 /nfs/dbraw/zinc/21/05/72/345210572.db2.gz LFAOVFLVJJQGDW-OPRDCNLKSA-N 2 0 213.325 0.357 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000449074482 201803709 /nfs/dbraw/zinc/80/37/09/201803709.db2.gz PFSSOZCXHARAFT-NXEZZACHSA-N 2 0 213.325 0.243 20 0 BCADRP C[NH+](C)CC1(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000635131009 345255046 /nfs/dbraw/zinc/25/50/46/345255046.db2.gz MXLKVHWNJKEJIG-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)C1C[NH2+]C1 ZINC000635012809 345215191 /nfs/dbraw/zinc/21/51/91/345215191.db2.gz VPYVGTPXYFCXAV-PWSUYJOCSA-N 2 0 225.380 0.962 20 0 BCADRP CCN(C)C[C@@H](O)C[N@H+](C)CC(O)(CC)CC ZINC000626111836 345276768 /nfs/dbraw/zinc/27/67/68/345276768.db2.gz BYXUYOABGIXQDA-GFCCVEGCSA-N 2 0 246.395 0.782 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000130603994 345280737 /nfs/dbraw/zinc/28/07/37/345280737.db2.gz MFJJBKSXMMPTFK-IQJOONFLSA-N 2 0 225.336 0.465 20 0 BCADRP C[C@H](C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000635254377 345287678 /nfs/dbraw/zinc/28/76/78/345287678.db2.gz CJONQAVTFUSYPI-DTWKUNHWSA-N 2 0 201.314 0.003 20 0 BCADRP C[C@H](C(=O)NCC[NH+]1CCCCCC1)[NH+](C)C ZINC000635258145 345289678 /nfs/dbraw/zinc/28/96/78/345289678.db2.gz QIQZLAKUBRLHDB-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@H](Cn1ccnc1)NC(=O)[C@@H](C)[NH+](C)C ZINC000635327551 345309361 /nfs/dbraw/zinc/30/93/61/345309361.db2.gz ZRRXPHWCYNGTBC-NXEZZACHSA-N 2 0 224.308 0.338 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)CC[NH2+]C(C)C ZINC000131889123 345311247 /nfs/dbraw/zinc/31/12/47/345311247.db2.gz KVSLSHZQEKFNGA-LLVKDONJSA-N 2 0 229.368 0.864 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H](C)COC)C1 ZINC000053034517 345338720 /nfs/dbraw/zinc/33/87/20/345338720.db2.gz UZTBHLPWMZOPCH-WDEREUQCSA-N 2 0 200.326 0.810 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000158527586 345345532 /nfs/dbraw/zinc/34/55/32/345345532.db2.gz KGDOZCRMSMHDNF-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH+]1CCC(CCNC(=O)C(C)(C)C[NH3+])CC1 ZINC000158743377 345369503 /nfs/dbraw/zinc/36/95/03/345369503.db2.gz VIJFHBPNEGHMDK-UHFFFAOYSA-N 2 0 241.379 0.819 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000449102448 201810526 /nfs/dbraw/zinc/81/05/26/201810526.db2.gz JZBQAHRMKWQOSW-SNVBAGLBSA-N 2 0 229.368 0.736 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000158879234 345383875 /nfs/dbraw/zinc/38/38/75/345383875.db2.gz HAMQOTOGNLLLBM-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)[NH+](C)C ZINC000133732815 345385208 /nfs/dbraw/zinc/38/52/08/345385208.db2.gz SSNLCPWSBWCMLK-VXGBXAGGSA-N 2 0 241.379 0.737 20 0 BCADRP C[C@H](C(=O)N[C@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000635508655 345404325 /nfs/dbraw/zinc/40/43/25/345404325.db2.gz XDYOVHVWKUALPO-ZJUUUORDSA-N 2 0 213.325 0.147 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000635506582 345406072 /nfs/dbraw/zinc/40/60/72/345406072.db2.gz CRWNZKCJNRBOLB-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000159107098 345409783 /nfs/dbraw/zinc/40/97/83/345409783.db2.gz QUNPQWYMFJZIOM-CMPLNLGQSA-N 2 0 243.326 0.146 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449115319 201812720 /nfs/dbraw/zinc/81/27/20/201812720.db2.gz LJAMGFALHVULTR-TUAOUCFPSA-N 2 0 241.379 0.866 20 0 BCADRP CC[NH+](CC)CCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000635525662 345418883 /nfs/dbraw/zinc/41/88/83/345418883.db2.gz JIJPMNFVQMWKKP-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP CC[NH+](CC)CCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000635525665 345419047 /nfs/dbraw/zinc/41/90/47/345419047.db2.gz JIJPMNFVQMWKKP-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC([NH3+])CC1 ZINC000575121250 345419809 /nfs/dbraw/zinc/41/98/09/345419809.db2.gz FNCYCSZMOWGCJB-DTWKUNHWSA-N 2 0 228.340 0.245 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000449126017 201815571 /nfs/dbraw/zinc/81/55/71/201815571.db2.gz UGUHGLNARXTCRO-DDHJBXDOSA-N 2 0 239.363 0.476 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000575122198 345450629 /nfs/dbraw/zinc/45/06/29/345450629.db2.gz BNUSKLWBWDEMTN-QCNOEVLYSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159034070 345401317 /nfs/dbraw/zinc/40/13/17/345401317.db2.gz NSZMCFFVSVLPEX-PHIMTYICSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H](C(=O)NCC[N@H+](C)C1CCCC1)[NH+](C)C ZINC000635505212 345402070 /nfs/dbraw/zinc/40/20/70/345402070.db2.gz MWFNXACREOMOBY-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000342723855 534996881 /nfs/dbraw/zinc/99/68/81/534996881.db2.gz UGWMMTYFOXNVQA-SNVBAGLBSA-N 2 0 213.325 0.052 20 0 BCADRP OCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000081670765 345484409 /nfs/dbraw/zinc/48/44/09/345484409.db2.gz KLNQXHFASUWNEG-UHFFFAOYSA-N 2 0 228.336 0.023 20 0 BCADRP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH3+] ZINC000178618532 534998544 /nfs/dbraw/zinc/99/85/44/534998544.db2.gz DSRBCHQOUNTYKS-VIFPVBQESA-N 2 0 201.314 0.180 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](O)COC)[C@H](C)C1 ZINC000090949764 345572863 /nfs/dbraw/zinc/57/28/63/345572863.db2.gz FRESOFLJMYGSGF-AGIUHOORSA-N 2 0 244.379 0.704 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CC[C@@H](CO)C[C@H]1C ZINC000626121736 345518039 /nfs/dbraw/zinc/51/80/39/345518039.db2.gz SEJIBRGVXXPONE-JHJVBQTASA-N 2 0 244.379 0.392 20 0 BCADRP C[C@H](C(=O)N(C)[C@H]1C[NH+]2CCC1CC2)[NH+](C)C ZINC000635549195 345601808 /nfs/dbraw/zinc/60/18/08/345601808.db2.gz DOHJSAQVZNWVIT-PWSUYJOCSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000563093219 323091827 /nfs/dbraw/zinc/09/18/27/323091827.db2.gz YGXQYIQPJBGJSD-UMNHJUIQSA-N 2 0 242.367 0.493 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC[C@H](C)[NH3+] ZINC000563106961 323092755 /nfs/dbraw/zinc/09/27/55/323092755.db2.gz YUAIZWFDQIPWTA-IUCAKERBSA-N 2 0 201.314 0.228 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000563109825 323092960 /nfs/dbraw/zinc/09/29/60/323092960.db2.gz AETYOESZUNPSIW-NNYUYHANSA-N 2 0 239.363 0.700 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000563116565 323093294 /nfs/dbraw/zinc/09/32/94/323093294.db2.gz JFWBVAGWQHWYPV-FBIMIBRVSA-N 2 0 225.336 0.357 20 0 BCADRP C[NH2+]CCCC(=O)NCc1ccc(C[NH3+])cc1 ZINC000211452507 345737563 /nfs/dbraw/zinc/73/75/63/345737563.db2.gz XDBRRWGZLKNJPO-UHFFFAOYSA-N 2 0 235.331 0.761 20 0 BCADRP Cn1nccc1CC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000236080852 537910074 /nfs/dbraw/zinc/91/00/74/537910074.db2.gz NQIQYZHRYONNRM-LBPRGKRZSA-N 2 0 222.336 0.633 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1CCOC[C@@H]1CCCO1 ZINC000563154745 323095661 /nfs/dbraw/zinc/09/56/61/323095661.db2.gz VKIAIFGQQVCVQX-STQMWFEESA-N 2 0 242.363 0.866 20 0 BCADRP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)[NH+](C)C ZINC000635601381 345887807 /nfs/dbraw/zinc/88/78/07/345887807.db2.gz ATOXWWMCQZGJID-QJPTWQEYSA-N 2 0 241.379 0.735 20 0 BCADRP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000635602283 345887884 /nfs/dbraw/zinc/88/78/84/345887884.db2.gz GYZDJBLWVRFVIG-QJPTWQEYSA-N 2 0 241.379 0.878 20 0 BCADRP C[C@H]([NH2+]CCCC(=O)N(C)C)[C@@H]1CCCC[NH2+]1 ZINC000390330403 259386517 /nfs/dbraw/zinc/38/65/17/259386517.db2.gz HKEGGKRYFDJALB-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP Cc1nc[nH]c1CNC(=O)[C@@H](C)[NH+](C)C ZINC000635637332 345912060 /nfs/dbraw/zinc/91/20/60/345912060.db2.gz JUWLLXLHFQOZSY-MRVPVSSYSA-N 2 0 210.281 0.284 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178844613 345918390 /nfs/dbraw/zinc/91/83/90/345918390.db2.gz BDHHFYYLEVBRQW-NXEZZACHSA-N 2 0 227.352 0.428 20 0 BCADRP CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000179072093 345918586 /nfs/dbraw/zinc/91/85/86/345918586.db2.gz KJHUWFFUOHCQQT-VWYCJHECSA-N 2 0 225.336 0.324 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCCC[NH+](C)C ZINC000449310948 201865780 /nfs/dbraw/zinc/86/57/80/201865780.db2.gz JMNMJFCYHQKNJT-SNVBAGLBSA-N 2 0 215.341 0.442 20 0 BCADRP C[C@H](C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000635665093 345967324 /nfs/dbraw/zinc/96/73/24/345967324.db2.gz UZLRFSMLJGRFLJ-AXFHLTTASA-N 2 0 239.363 0.678 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000567925301 323101477 /nfs/dbraw/zinc/10/14/77/323101477.db2.gz ITMDTTRVCJPGQB-HLTSFMKQSA-N 2 0 233.381 0.309 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000375426973 537936891 /nfs/dbraw/zinc/93/68/91/537936891.db2.gz JTSUUIRGGNFMHE-VHSXEESVSA-N 2 0 247.342 0.889 20 0 BCADRP C[NH+](C)C1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000635745484 346046634 /nfs/dbraw/zinc/04/66/34/346046634.db2.gz WDKMKCSXBVVYFF-NSHDSACASA-N 2 0 225.336 0.243 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H](C)[NH+](C)C ZINC000635847324 346089511 /nfs/dbraw/zinc/08/95/11/346089511.db2.gz FUTHMGYGOWNQFI-LLVKDONJSA-N 2 0 229.368 0.737 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000449372079 201889782 /nfs/dbraw/zinc/88/97/82/201889782.db2.gz CCEZOURFYUDZQQ-HBNTYKKESA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+][C@H](CNC(=O)C[C@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC000449379168 201894406 /nfs/dbraw/zinc/89/44/06/201894406.db2.gz ZSIFTGRLHWIDGW-IJLUTSLNSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@H](C(=O)N[C@@H](C)C[NH+](C)C)[NH+](C)C ZINC000635928281 346117801 /nfs/dbraw/zinc/11/78/01/346117801.db2.gz BXERCVUZCGGEFR-DTWKUNHWSA-N 2 0 201.314 0.003 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N2CCn3cncc3C2)C1 ZINC000635945245 346118868 /nfs/dbraw/zinc/11/88/68/346118868.db2.gz OZNJRIZKSMSKEN-LLVKDONJSA-N 2 0 248.330 0.567 20 0 BCADRP C[C@H](C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)C1C[NH2+]C1 ZINC000564796856 323107139 /nfs/dbraw/zinc/10/71/39/323107139.db2.gz AYROFPSJXQVHAD-JBLDHEPKSA-N 2 0 239.363 0.476 20 0 BCADRP C[NH+](C)C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000636034046 346170663 /nfs/dbraw/zinc/17/06/63/346170663.db2.gz GDCLKEDGJNNFJH-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)CC[C@H](C)[NH3+] ZINC000193170604 346144762 /nfs/dbraw/zinc/14/47/62/346144762.db2.gz MSBLXTAKDFAXKD-BDAKNGLRSA-N 2 0 201.314 0.086 20 0 BCADRP CCOC[C@H](O)C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000069278666 349944199 /nfs/dbraw/zinc/94/41/99/349944199.db2.gz ZNSGGQOKJAVCRC-QWHCGFSZSA-N 2 0 244.379 0.705 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)COC)[C@@H](C)C1 ZINC000531711376 323111904 /nfs/dbraw/zinc/11/19/04/323111904.db2.gz VPRHVFXNIMMSFP-AVGNSLFASA-N 2 0 244.379 0.704 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000563091806 349949890 /nfs/dbraw/zinc/94/98/90/349949890.db2.gz FLADQUWXWYHJGY-AATLWQCWSA-N 2 0 230.356 0.537 20 0 BCADRP CCCN(C(=O)[C@@H](C)[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000636063800 346308116 /nfs/dbraw/zinc/30/81/16/346308116.db2.gz RPJRSNXCAMUFIS-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP CN(C)C(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069626541 349951065 /nfs/dbraw/zinc/95/10/65/349951065.db2.gz DTXJQIBRVINGJJ-JTQLQIEISA-N 2 0 213.325 0.135 20 0 BCADRP C[C@H](C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C)[NH+](C)C ZINC000636121172 346325002 /nfs/dbraw/zinc/32/50/02/346325002.db2.gz UYWFWEUZHZALBZ-MXWKQRLJSA-N 2 0 241.379 0.781 20 0 BCADRP CC[NH+](CC)CC[C@@H](CO)NCc1ncc[nH]1 ZINC000641771610 362710197 /nfs/dbraw/zinc/71/01/97/362710197.db2.gz JYHQRLLINOMQLO-NSHDSACASA-N 2 0 240.351 0.592 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)CCCC[NH3+])C1 ZINC000069733998 349956344 /nfs/dbraw/zinc/95/63/44/349956344.db2.gz KSXVXISEDOBXDR-LLVKDONJSA-N 2 0 227.352 0.573 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)CCCC[NH3+] ZINC000069733757 349956352 /nfs/dbraw/zinc/95/63/52/349956352.db2.gz ZSKIGZWMTKGHIF-UHFFFAOYSA-N 2 0 215.341 0.572 20 0 BCADRP CCN(C(=O)CN(C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000617929148 346379707 /nfs/dbraw/zinc/37/97/07/346379707.db2.gz CESFFBJTPGDDBU-LLVKDONJSA-N 2 0 227.352 0.491 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000574906535 346407973 /nfs/dbraw/zinc/40/79/73/346407973.db2.gz PKNYVXXCHMFUHQ-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP Cc1cccc(C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000042435761 179067673 /nfs/dbraw/zinc/06/76/73/179067673.db2.gz JXSBJTFXGIADQB-LBPRGKRZSA-N 2 0 208.305 0.746 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000069803133 349960479 /nfs/dbraw/zinc/96/04/79/349960479.db2.gz SQKMREUOLHKIMP-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](C)[NH2+]C ZINC000574926782 346415956 /nfs/dbraw/zinc/41/59/56/346415956.db2.gz MXXMTJLKEGDUGN-DTWKUNHWSA-N 2 0 201.314 0.228 20 0 BCADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000070074107 349965141 /nfs/dbraw/zinc/96/51/41/349965141.db2.gz KOXDFQVZJCEPSI-GFCCVEGCSA-N 2 0 239.363 0.670 20 0 BCADRP Cn1cncc1CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000641797771 362744615 /nfs/dbraw/zinc/74/46/15/362744615.db2.gz GHNPVKLTOVFXDL-ZDUSSCGKSA-N 2 0 234.347 0.648 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCCC[NH2+]C(C)C ZINC000381631329 346487173 /nfs/dbraw/zinc/48/71/73/346487173.db2.gz QMWMMNIKZVVKMC-SNVBAGLBSA-N 2 0 215.341 0.346 20 0 BCADRP Cn1cncc1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000641799501 362748986 /nfs/dbraw/zinc/74/89/86/362748986.db2.gz QBWQOFOYNNVLOU-WCQYABFASA-N 3 0 234.347 0.646 20 0 BCADRP CC[NH+]1CCC(CNC(=O)NCCC[NH3+])CC1 ZINC000574975035 346478193 /nfs/dbraw/zinc/47/81/93/346478193.db2.gz AJTNVSUBKLWCRE-UHFFFAOYSA-N 2 0 242.367 0.366 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NC1CC[NH2+]CC1 ZINC000580071491 346507412 /nfs/dbraw/zinc/50/74/12/346507412.db2.gz UJMZQYZEPXJQAK-BDAKNGLRSA-N 2 0 228.340 0.163 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH2+]C3CC3)C2)C1 ZINC000580076202 346513573 /nfs/dbraw/zinc/51/35/73/346513573.db2.gz WZTPKXLDTLEJPO-WCABBAIRSA-N 2 0 223.320 0.077 20 0 BCADRP C[C@]1(CO)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000309530546 347095417 /nfs/dbraw/zinc/09/54/17/347095417.db2.gz VVAKXVCLNGFZJY-GFCCVEGCSA-N 2 0 212.337 0.833 20 0 BCADRP C[C@@H]1CC[C@H](C[NH3+])N(CCOCC[NH3+])[C@@H]1C ZINC000641805705 362760230 /nfs/dbraw/zinc/76/02/30/362760230.db2.gz GMLDLTWXYNVPCA-IJLUTSLNSA-N 3 0 229.368 0.409 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000309546340 347097621 /nfs/dbraw/zinc/09/76/21/347097621.db2.gz BVBHHYSGZWRTCJ-NSHDSACASA-N 2 0 213.325 0.102 20 0 BCADRP C[C@H]1CN(C(=O)c2c[nH+]ccc2N)C[C@H](C)[NH2+]1 ZINC000187177761 346558791 /nfs/dbraw/zinc/55/87/91/346558791.db2.gz YUHUFZQZMYUACY-IUCAKERBSA-N 2 0 234.303 0.486 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)CC[NH2+]C1CC1 ZINC000563548198 323129744 /nfs/dbraw/zinc/12/97/44/323129744.db2.gz CKLFLIYKHNIITL-VIFPVBQESA-N 2 0 213.325 0.100 20 0 BCADRP COC[C@@H]([NH2+]CCC[NH+](C)C)C1CCOCC1 ZINC000187680682 346597460 /nfs/dbraw/zinc/59/74/60/346597460.db2.gz BMJITFIQWHTELN-CYBMUJFWSA-N 2 0 244.379 0.969 20 0 BCADRP CC[C@@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)[NH+](CC)CC ZINC000580201524 346658384 /nfs/dbraw/zinc/65/83/84/346658384.db2.gz RNGJJBOMJXRWFV-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000580646881 365841928 /nfs/dbraw/zinc/84/19/28/365841928.db2.gz QMKMKTDLNGNBKF-ONGXEEELSA-N 2 0 227.352 0.748 20 0 BCADRP [NH3+]CCc1ccccc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000580206969 346668756 /nfs/dbraw/zinc/66/87/56/346668756.db2.gz YRIDSFQVBKUODN-GFCCVEGCSA-N 2 0 247.342 0.751 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCCCC[NH+](C)C ZINC000563626543 323132251 /nfs/dbraw/zinc/13/22/51/323132251.db2.gz YPRLPARAIFPIMC-LLVKDONJSA-N 2 0 229.368 0.833 20 0 BCADRP C[NH+](C)CC(=O)NCCN1Cc2ccccc2C1 ZINC000589471868 346703630 /nfs/dbraw/zinc/70/36/30/346703630.db2.gz FGZKFJGZTYKSJQ-UHFFFAOYSA-N 2 0 247.342 0.680 20 0 BCADRP CC1(CNC(=O)N[C@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC000580217958 346708723 /nfs/dbraw/zinc/70/87/23/346708723.db2.gz KHNLAAWMZZZCQS-JTQLQIEISA-N 2 0 240.351 0.037 20 0 BCADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H](C)[NH2+]C ZINC000580215751 346699454 /nfs/dbraw/zinc/69/94/54/346699454.db2.gz CFTNULTVXQAJBR-GWCFXTLKSA-N 2 0 249.358 0.973 20 0 BCADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H](C)[NH2+]C ZINC000580215753 346699493 /nfs/dbraw/zinc/69/94/93/346699493.db2.gz CFTNULTVXQAJBR-MFKMUULPSA-N 2 0 249.358 0.973 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COCC2CC2)C1 ZINC000580216274 346699618 /nfs/dbraw/zinc/69/96/18/346699618.db2.gz SYLXOASXPDNPBP-UPJWGTAASA-N 2 0 242.363 0.633 20 0 BCADRP C[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C[C@H]1CO ZINC000622003595 370653936 /nfs/dbraw/zinc/65/39/36/370653936.db2.gz BZPDBNPLRXYQQT-ZJUUUORDSA-N 2 0 200.326 0.674 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H](C)C[NH3+] ZINC000380213174 347147147 /nfs/dbraw/zinc/14/71/47/347147147.db2.gz HNCZGNRECQRFDR-RKDXNWHRSA-N 2 0 201.314 0.071 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](C)C[NH3+] ZINC000380213173 347147422 /nfs/dbraw/zinc/14/74/22/347147422.db2.gz HNCZGNRECQRFDR-IUCAKERBSA-N 2 0 201.314 0.071 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000390583872 259394434 /nfs/dbraw/zinc/39/44/34/259394434.db2.gz XOMWDNFXTCRDNL-AXTSPUMRSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC000582057251 347152433 /nfs/dbraw/zinc/15/24/33/347152433.db2.gz ZNRUAZKXAMPKKS-CKYFFXLPSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H](CN1CCOCC1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000582063285 347157497 /nfs/dbraw/zinc/15/74/97/347157497.db2.gz WKTOBCSUMVWJBX-FRRDWIJNSA-N 2 0 241.379 0.376 20 0 BCADRP C[C@@H](CN1CCOCC1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000582063284 347157590 /nfs/dbraw/zinc/15/75/90/347157590.db2.gz WKTOBCSUMVWJBX-AGIUHOORSA-N 2 0 241.379 0.376 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000582062088 347159043 /nfs/dbraw/zinc/15/90/43/347159043.db2.gz QBFLQEJOPMNKNT-IWSPIJDZSA-N 2 0 249.305 0.603 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000580328423 347162229 /nfs/dbraw/zinc/16/22/29/347162229.db2.gz URIVDHNKKPXBLQ-VHSXEESVSA-N 2 0 215.341 0.426 20 0 BCADRP C[NH+](C)CC1CCC(NC(=O)C[NH3+])CC1 ZINC000571167063 323137233 /nfs/dbraw/zinc/13/72/33/323137233.db2.gz KPXQFTVBQSMPKN-UHFFFAOYSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+]C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCCO1 ZINC000580328745 347166040 /nfs/dbraw/zinc/16/60/40/347166040.db2.gz CXHHIZMXWNIKEY-CYBMUJFWSA-N 3 0 241.379 0.426 20 0 BCADRP C[N@H+](CC[C@H]1CCC[NH+]1C)C1(CO)CC1 ZINC000353021010 187371920 /nfs/dbraw/zinc/37/19/20/187371920.db2.gz JENVSJGRHQUOJQ-LLVKDONJSA-N 2 0 212.337 0.927 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000261548681 535057031 /nfs/dbraw/zinc/05/70/31/535057031.db2.gz NVMXCCLTTKETMI-BBBLOLIVSA-N 2 0 213.325 0.356 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000310073694 347226162 /nfs/dbraw/zinc/22/61/62/347226162.db2.gz FKHXWSGSWPWIPG-BDAKNGLRSA-N 2 0 249.305 0.569 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)C(N)=O ZINC000252815598 323141756 /nfs/dbraw/zinc/14/17/56/323141756.db2.gz JVIYPXAKYUGWNS-NXEZZACHSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](OC)C1 ZINC000571337059 323141838 /nfs/dbraw/zinc/14/18/38/323141838.db2.gz SIXOYZDNNSBSAX-GHMZBOCLSA-N 2 0 216.325 0.068 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000641941747 362807363 /nfs/dbraw/zinc/80/73/63/362807363.db2.gz JJHNKAZDGJDZRV-DBIOUOCHSA-N 2 0 240.351 0.258 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000310307301 347261415 /nfs/dbraw/zinc/26/14/15/347261415.db2.gz SAFWZIWLTPRPCN-BDAKNGLRSA-N 2 0 249.305 0.569 20 0 BCADRP COC[C@H](C)C[NH2+]C[C@@H](C)CN1CCOCC1 ZINC000188016233 347270808 /nfs/dbraw/zinc/27/08/08/347270808.db2.gz BRMLQJCJIKTVHP-CHWSQXEVSA-N 2 0 244.379 0.827 20 0 BCADRP COC[C@@H](C)C[NH2+]C[C@@H](C)CN1CCOCC1 ZINC000188016277 347270986 /nfs/dbraw/zinc/27/09/86/347270986.db2.gz BRMLQJCJIKTVHP-OLZOCXBDSA-N 2 0 244.379 0.827 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000019438563 347323955 /nfs/dbraw/zinc/32/39/55/347323955.db2.gz SFAPKWORBPQQGO-GFCCVEGCSA-N 2 0 249.358 0.972 20 0 BCADRP FC(F)[C@@H]1C[NH2+]CCN1CCC1CC[NH2+]CC1 ZINC000571404698 323143696 /nfs/dbraw/zinc/14/36/96/323143696.db2.gz WITPGXPVRPXATM-NSHDSACASA-N 2 0 247.333 0.915 20 0 BCADRP CC(C)[C@H]1CC[C@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000582116263 347377744 /nfs/dbraw/zinc/37/77/44/347377744.db2.gz LCCPDCURFZPVSC-VXGBXAGGSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)c1coc(C[NH3+])c1 ZINC000582120382 347390395 /nfs/dbraw/zinc/39/03/95/347390395.db2.gz SZVTYVUUPSEOCX-UHFFFAOYSA-N 2 0 239.319 0.856 20 0 BCADRP COCC(COC)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000388423784 347398359 /nfs/dbraw/zinc/39/83/59/347398359.db2.gz JBZXOIDINYPHSH-ZJUUUORDSA-N 2 0 216.325 0.507 20 0 BCADRP COCC(COC)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000388423781 347398590 /nfs/dbraw/zinc/39/85/90/347398590.db2.gz JBZXOIDINYPHSH-UWVGGRQHSA-N 2 0 216.325 0.507 20 0 BCADRP C[C@H](CNC(=O)CCCC[NH3+])[NH+]1CCCC1 ZINC000161079109 323145852 /nfs/dbraw/zinc/14/58/52/323145852.db2.gz PLAJMZAFECPFGP-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP CCN1CCN(C(=O)c2ccc(C[NH3+])o2)CC1 ZINC000011628013 347462311 /nfs/dbraw/zinc/46/23/11/347462311.db2.gz AGBFKZASYCRPDW-UHFFFAOYSA-N 2 0 237.303 0.516 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1CC[NH2+]1 ZINC000577215821 365885895 /nfs/dbraw/zinc/88/58/95/365885895.db2.gz TYYUDSUDRRLUOP-AXFHLTTASA-N 2 0 225.336 0.147 20 0 BCADRP CC(C)C[C@H]1COCC[N@@H+]1CCOCC[NH3+] ZINC000357088624 187376865 /nfs/dbraw/zinc/37/68/65/187376865.db2.gz SYXJEFQKWZGFFY-LBPRGKRZSA-N 2 0 230.352 0.709 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000382969892 347515128 /nfs/dbraw/zinc/51/51/28/347515128.db2.gz QZMDSCLYCNNEQR-WDEREUQCSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C)C[NH2+]1 ZINC000356392450 187377280 /nfs/dbraw/zinc/37/72/80/187377280.db2.gz QLBZGAMJKGFWJE-KXNHARMFSA-N 2 0 239.363 0.713 20 0 BCADRP COC(C)(C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000159047337 347576245 /nfs/dbraw/zinc/57/62/45/347576245.db2.gz PKHCRXVSUDSZNB-NSHDSACASA-N 2 0 230.352 0.458 20 0 BCADRP COC(C)(C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000159047481 347576274 /nfs/dbraw/zinc/57/62/74/347576274.db2.gz PKHCRXVSUDSZNB-LLVKDONJSA-N 2 0 230.352 0.458 20 0 BCADRP C[C@@H](CNC(=O)CCCC[NH+](C)C)[NH+](C)C ZINC000591429792 347655340 /nfs/dbraw/zinc/65/53/40/347655340.db2.gz LTRQCJQMWKRNFK-NSHDSACASA-N 2 0 229.368 0.785 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000591430374 347655404 /nfs/dbraw/zinc/65/54/04/347655404.db2.gz XJQUQMZZFIHZHR-LLVKDONJSA-N 2 0 239.363 0.491 20 0 BCADRP COC[C@H](C)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000380121048 365901067 /nfs/dbraw/zinc/90/10/67/365901067.db2.gz UTMUIQCGQQHXQK-IJLUTSLNSA-N 2 0 212.337 0.810 20 0 BCADRP COC[C@H](C)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000380121050 365901536 /nfs/dbraw/zinc/90/15/36/365901536.db2.gz UTMUIQCGQQHXQK-UTUOFQBUSA-N 2 0 212.337 0.810 20 0 BCADRP C[C@@H](NCC(=O)N1CC[NH2+]CC1)c1ccoc1 ZINC000577274118 365911771 /nfs/dbraw/zinc/91/17/71/365911771.db2.gz DBJOGZNAIXCJLM-SNVBAGLBSA-N 2 0 237.303 0.362 20 0 BCADRP CSC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000591726586 347692460 /nfs/dbraw/zinc/69/24/60/347692460.db2.gz QLKCCKXFEYXOOX-SDDRHHMPSA-N 2 0 244.404 0.927 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C1CC1 ZINC000591456797 347665183 /nfs/dbraw/zinc/66/51/83/347665183.db2.gz YGECWXNEVFFUGQ-MNOVXSKESA-N 2 0 239.363 0.537 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333390278 537992075 /nfs/dbraw/zinc/99/20/75/537992075.db2.gz OSKFXMYUQHZAJA-GHMZBOCLSA-N 2 0 239.363 0.490 20 0 BCADRP COC(=O)[C@@H](C)N1CC[C@@](C)(C[NH3+])C1 ZINC000308519871 347774425 /nfs/dbraw/zinc/77/44/25/347774425.db2.gz XGSAMHFZQZMGRJ-SCZZXKLOSA-N 2 0 200.282 0.219 20 0 BCADRP [NH3+]CCCCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000070201962 349976360 /nfs/dbraw/zinc/97/63/60/349976360.db2.gz ZTVAPWMGPLXSBU-NEPJUHHUSA-N 2 0 239.363 0.858 20 0 BCADRP CCOC(=O)[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000592494270 347787924 /nfs/dbraw/zinc/78/79/24/347787924.db2.gz OJHKUJANJNIRHM-NEPJUHHUSA-N 2 0 240.347 0.871 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000343615861 133699468 /nfs/dbraw/zinc/69/94/68/133699468.db2.gz GGBHUZDPYZJEPB-UZWSLXQKSA-N 2 0 239.363 0.842 20 0 BCADRP C[C@@H](CNC(=O)CCCC[NH3+])C[NH+]1CCCC1 ZINC000070203737 349977233 /nfs/dbraw/zinc/97/72/33/349977233.db2.gz KKHJPTXFVUAETF-LBPRGKRZSA-N 2 0 241.379 0.964 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N(C)CCC[NH+](C)C ZINC000577368145 365935153 /nfs/dbraw/zinc/93/51/53/365935153.db2.gz SDDKKCFBRKQFON-NSHDSACASA-N 2 0 244.383 0.563 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000362769639 187382915 /nfs/dbraw/zinc/38/29/15/187382915.db2.gz NCCKYKRGZWIMEP-NWDGAFQWSA-N 2 0 241.379 0.641 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000294969144 179324143 /nfs/dbraw/zinc/32/41/43/179324143.db2.gz IXUCHUUYLBMRME-DGCLKSJQSA-N 2 0 247.342 0.863 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000577392123 365944318 /nfs/dbraw/zinc/94/43/18/365944318.db2.gz OQOPVWAUIDSSIC-ZYHUDNBSSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)c1ccccc1CC[NH3+] ZINC000577407993 365947781 /nfs/dbraw/zinc/94/77/81/365947781.db2.gz ZHELFZMVUAIUPK-JTQLQIEISA-N 2 0 235.331 0.512 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368687387 187384268 /nfs/dbraw/zinc/38/42/68/187384268.db2.gz KLTBYFYAYIRFAK-GMTAPVOTSA-N 2 0 239.363 0.428 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000368101960 187384523 /nfs/dbraw/zinc/38/45/23/187384523.db2.gz MABOMGMOGFIVDD-RYUDHWBXSA-N 2 0 239.363 0.393 20 0 BCADRP [NH3+]C1(C(=O)NCC[NH+]2CCCC2)CCC1 ZINC000088050317 490118287 /nfs/dbraw/zinc/11/82/87/490118287.db2.gz ADZPNKFAVSVJFO-UHFFFAOYSA-N 2 0 211.309 0.080 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000295306525 179341622 /nfs/dbraw/zinc/34/16/22/179341622.db2.gz YCDKQEBSWTYXHI-AAEUAGOBSA-N 2 0 247.342 0.815 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000038098242 348053061 /nfs/dbraw/zinc/05/30/61/348053061.db2.gz KVGHKMFNVQEYGF-LLVKDONJSA-N 2 0 225.336 0.339 20 0 BCADRP CC1(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCC1 ZINC000594739303 348110321 /nfs/dbraw/zinc/11/03/21/348110321.db2.gz UINSNXBVYQERJP-MNOVXSKESA-N 2 0 237.347 0.420 20 0 BCADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000594920697 348155257 /nfs/dbraw/zinc/15/52/57/348155257.db2.gz HHGBHLGVLBTNMV-GMTAPVOTSA-N 2 0 228.336 0.725 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372879391 187387289 /nfs/dbraw/zinc/38/72/89/187387289.db2.gz OWCLEVYVOHXRFV-NXEZZACHSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000493816376 490156024 /nfs/dbraw/zinc/15/60/24/490156024.db2.gz IZVNNTQUVJZRJJ-UKKRHICBSA-N 2 0 227.352 0.698 20 0 BCADRP CC(C)C[C@H](CNC(=O)C[C@@H](C)[NH3+])[NH+](C)C ZINC000040831334 187393363 /nfs/dbraw/zinc/39/33/63/187393363.db2.gz BKVNOBQHCPRTRO-GHMZBOCLSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CS1 ZINC000397738549 362903484 /nfs/dbraw/zinc/90/34/84/362903484.db2.gz URWDUYDPYKKZPN-WOPDTQHZSA-N 2 0 244.404 0.927 20 0 BCADRP C[C@@H]1CCN(CC[NH2+]CC2(C)COC2)C1 ZINC000309095735 349985103 /nfs/dbraw/zinc/98/51/03/349985103.db2.gz CSYQVUVZWNVXPV-LLVKDONJSA-N 2 0 212.337 0.954 20 0 BCADRP C[NH2+]CCCN1CCC[C@]1(COC)C(=O)OC ZINC000595905551 348395970 /nfs/dbraw/zinc/39/59/70/348395970.db2.gz VEJNUYBCNOKAEX-LBPRGKRZSA-N 2 0 244.335 0.250 20 0 BCADRP COC(=O)[C@H]1C[C@@H](N(C)C[C@H](C)[NH3+])C1 ZINC000595905182 348396192 /nfs/dbraw/zinc/39/61/92/348396192.db2.gz QBITUGHHAWTRSI-XHNCKOQMSA-N 2 0 200.282 0.217 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000595905653 348396294 /nfs/dbraw/zinc/39/62/94/348396294.db2.gz WRGZHJIDWXJOTD-QJPTWQEYSA-N 2 0 240.347 0.727 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](CCC[NH3+])C[C@@H]1C ZINC000595904274 348396496 /nfs/dbraw/zinc/39/64/96/348396496.db2.gz BYHUYNUJYHAUAI-VHSXEESVSA-N 2 0 214.309 0.466 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000070318107 349993797 /nfs/dbraw/zinc/99/37/97/349993797.db2.gz CGVSQIGUIMUDQX-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP CSCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000596649161 348604504 /nfs/dbraw/zinc/60/45/04/348604504.db2.gz CCUJGDJJJHABJX-IVZWLZJFSA-N 2 0 218.366 0.691 20 0 BCADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]C2)[C@@H]1C ZINC000596649021 348605313 /nfs/dbraw/zinc/60/53/13/348605313.db2.gz XDIDNJGTCLNWHS-NOOOWODRSA-N 2 0 240.347 0.916 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000308841474 348772606 /nfs/dbraw/zinc/77/26/06/348772606.db2.gz KHOLBUFKBKWUMA-IUCAKERBSA-N 2 0 201.314 0.213 20 0 BCADRP C[N@H+](C[C@H]1CCCC[C@H]1O)C1CC([NH3+])C1 ZINC000384812260 490191108 /nfs/dbraw/zinc/19/11/08/490191108.db2.gz CNLNLCKPYDOTJH-HBIQZDMRSA-N 2 0 212.337 0.959 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000308892768 349054676 /nfs/dbraw/zinc/05/46/76/349054676.db2.gz YJDNUXXPHFQHNM-DTWKUNHWSA-N 2 0 201.314 0.086 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000082920372 349093815 /nfs/dbraw/zinc/09/38/15/349093815.db2.gz JHTPKFYUIGVNHV-QWRGUYRKSA-N 2 0 225.336 0.278 20 0 BCADRP C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000078743783 490224023 /nfs/dbraw/zinc/22/40/23/490224023.db2.gz YUAWTYUMNQRPBP-NWDGAFQWSA-N 2 0 241.379 0.737 20 0 BCADRP COC(=O)CCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000599268754 349136507 /nfs/dbraw/zinc/13/65/07/349136507.db2.gz ICJABZQKJIJFLA-GHMZBOCLSA-N 2 0 226.320 0.481 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000250633359 349177810 /nfs/dbraw/zinc/17/78/10/349177810.db2.gz DWXNQOMOOQBEJD-BBBLOLIVSA-N 2 0 211.309 0.125 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000250633363 349177997 /nfs/dbraw/zinc/17/79/97/349177997.db2.gz DWXNQOMOOQBEJD-UTLUCORTSA-N 2 0 211.309 0.125 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000381784968 349189237 /nfs/dbraw/zinc/18/92/37/349189237.db2.gz YQELTNROUAZZPB-AEJSXWLSSA-N 2 0 213.325 0.310 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000248986146 349158780 /nfs/dbraw/zinc/15/87/80/349158780.db2.gz GIQVZGMROJQDCH-KXUCPTDWSA-N 2 0 213.325 0.180 20 0 BCADRP C[NH+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252880631 349221430 /nfs/dbraw/zinc/22/14/30/349221430.db2.gz YLDPFLSOKLPWID-DCAQKATOSA-N 2 0 225.336 0.134 20 0 BCADRP CCC(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000058938552 349193228 /nfs/dbraw/zinc/19/32/28/349193228.db2.gz RVPHTTHQOGTJJA-UHFFFAOYSA-N 2 0 241.379 0.881 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000252611624 349206609 /nfs/dbraw/zinc/20/66/09/349206609.db2.gz VRFYFVQLLPHYKO-SRVKXCTJSA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000252611623 349206829 /nfs/dbraw/zinc/20/68/29/349206829.db2.gz VRFYFVQLLPHYKO-SDDRHHMPSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000252614749 349207005 /nfs/dbraw/zinc/20/70/05/349207005.db2.gz YKLFXWJVHLNYSK-JBLDHEPKSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C(=O)N1CCCC1 ZINC000252796577 349207418 /nfs/dbraw/zinc/20/74/18/349207418.db2.gz GPMOZDLJBCHXBS-SRVKXCTJSA-N 2 0 239.363 0.857 20 0 BCADRP C[NH2+]CCC(=O)N[C@H](C[NH3+])CC(C)C ZINC000309017836 349305071 /nfs/dbraw/zinc/30/50/71/349305071.db2.gz VIDFGUWHFNJAOM-VIFPVBQESA-N 2 0 201.314 0.086 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061612674 349375848 /nfs/dbraw/zinc/37/58/48/349375848.db2.gz TYKCCZBZSYSISV-NSHDSACASA-N 2 0 221.304 0.194 20 0 BCADRP [NH3+]CCCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070502898 350016112 /nfs/dbraw/zinc/01/61/12/350016112.db2.gz IGPOHJPQEFNWFZ-UWVGGRQHSA-N 2 0 213.325 0.359 20 0 BCADRP COCC[C@H](CO)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000300898432 349419008 /nfs/dbraw/zinc/41/90/08/349419008.db2.gz QPBUXUQZJBPZEJ-OUAUKWLOSA-N 2 0 216.325 0.243 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCC[NH+](C)C ZINC000342669201 538048619 /nfs/dbraw/zinc/04/86/19/538048619.db2.gz WTAUQTQDJZMKDU-LLVKDONJSA-N 2 0 244.383 0.578 20 0 BCADRP C[NH2+]C[C@@H]1CCN(CC(=O)N2CCCC2)C1 ZINC000070799892 350060798 /nfs/dbraw/zinc/06/07/98/350060798.db2.gz RLSLUFRXIKUFDK-NSHDSACASA-N 2 0 225.336 0.150 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCc1nccn1C ZINC000070854998 350068633 /nfs/dbraw/zinc/06/86/33/350068633.db2.gz QZVLAEVYPJPNFQ-UHFFFAOYSA-N 2 0 224.308 0.424 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000218361093 350090204 /nfs/dbraw/zinc/09/02/04/350090204.db2.gz DZMIJOSCNOMNSX-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP CC1(C)CN(C(=O)CC[NH2+]C2CC2)CC[NH2+]1 ZINC000518794714 259410262 /nfs/dbraw/zinc/41/02/62/259410262.db2.gz MZWBKLAMJDVSNK-UHFFFAOYSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]([NH2+]CCC[NH+](C)C)[C@@H]1CCOC1 ZINC000132002516 191022187 /nfs/dbraw/zinc/02/21/87/191022187.db2.gz BIYQCAWXMGKDAU-GHMZBOCLSA-N 2 0 200.326 0.953 20 0 BCADRP CCC[C@H](C(=O)N1CCC(C[NH3+])CC1)[NH+](C)C ZINC000422728826 192443990 /nfs/dbraw/zinc/44/39/90/192443990.db2.gz JQKAJRHTESAHRE-GFCCVEGCSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CC1(C[NH3+])CC1 ZINC000422733790 192446672 /nfs/dbraw/zinc/44/66/72/192446672.db2.gz RHPPJDVSXQGDPD-QWRGUYRKSA-N 2 0 239.363 0.844 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CCC[NH2+]C1)[C@H](C)[NH3+] ZINC000422725555 192442112 /nfs/dbraw/zinc/44/21/12/192442112.db2.gz BVEPDLDKKSXMDC-DCAQKATOSA-N 2 0 227.352 0.474 20 0 BCADRP Cc1cnn(CC[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000304360471 350155758 /nfs/dbraw/zinc/15/57/58/350155758.db2.gz HYPDRIYHAMXQIE-GFCCVEGCSA-N 2 0 222.336 0.862 20 0 BCADRP Cc1cnn(CC[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000304430406 350156979 /nfs/dbraw/zinc/15/69/79/350156979.db2.gz SQHXTHHTMCZOFX-VXGBXAGGSA-N 2 0 222.336 0.861 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427368998 191060269 /nfs/dbraw/zinc/06/02/69/191060269.db2.gz ZLTGCMVFHVAWDM-RYUDHWBXSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000309802445 191066456 /nfs/dbraw/zinc/06/64/56/191066456.db2.gz RLSGNPLHOVOIOA-SECBINFHSA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000037467317 191069439 /nfs/dbraw/zinc/06/94/39/191069439.db2.gz YAHCPCNXXNYGKM-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)[C@H]1CC[NH3+] ZINC000653232743 490393515 /nfs/dbraw/zinc/39/35/15/490393515.db2.gz IMGGFMGIQBJLFU-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000427576583 191082058 /nfs/dbraw/zinc/08/20/58/191082058.db2.gz DXFSGAQXWGNLAJ-QWRGUYRKSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000427614215 191084921 /nfs/dbraw/zinc/08/49/21/191084921.db2.gz WCHIIUWOJYZIRG-MDZLAQPJSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335095476 538084468 /nfs/dbraw/zinc/08/44/68/538084468.db2.gz URSMWAULPWXVHX-CYBMUJFWSA-N 2 0 239.363 0.573 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335095477 538084481 /nfs/dbraw/zinc/08/44/81/538084481.db2.gz URSMWAULPWXVHX-ZDUSSCGKSA-N 2 0 239.363 0.573 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000309303515 350276069 /nfs/dbraw/zinc/27/60/69/350276069.db2.gz UUAOILRZBOSUNN-VHSXEESVSA-N 2 0 213.325 0.086 20 0 BCADRP C[NH+](C)CCCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000068940310 350314161 /nfs/dbraw/zinc/31/41/61/350314161.db2.gz QEJZVZMGWJENNB-NSHDSACASA-N 2 0 248.392 0.495 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000606346310 350315640 /nfs/dbraw/zinc/31/56/40/350315640.db2.gz UGAVXTXXKJTSSF-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000606371684 350318737 /nfs/dbraw/zinc/31/87/37/350318737.db2.gz PHQXCNNPIPQJRZ-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000606371230 350319061 /nfs/dbraw/zinc/31/90/61/350319061.db2.gz BPRRITVDAPBXDN-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C1CC[NH2+]CC1 ZINC000563161324 350346891 /nfs/dbraw/zinc/34/68/91/350346891.db2.gz XPYOWCUNCNBSMF-SNVBAGLBSA-N 2 0 227.352 0.476 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000571678203 323328934 /nfs/dbraw/zinc/32/89/34/323328934.db2.gz FSKGBSMTDFPJFT-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](CCOCC[NH3+])CC1 ZINC000309387386 350366858 /nfs/dbraw/zinc/36/68/58/350366858.db2.gz FFCNBARMEJDWNJ-JTQLQIEISA-N 3 0 215.341 0.021 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000309405641 350371595 /nfs/dbraw/zinc/37/15/95/350371595.db2.gz HXNIJERCCPDIQK-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000309412107 350372200 /nfs/dbraw/zinc/37/22/00/350372200.db2.gz IRCVHHXVKUNPPO-NXEZZACHSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000521434420 259413269 /nfs/dbraw/zinc/41/32/69/259413269.db2.gz XNKBIOONMUIGPB-KXUCPTDWSA-N 2 0 225.336 0.323 20 0 BCADRP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050245184 180337607 /nfs/dbraw/zinc/33/76/07/180337607.db2.gz SFFFQHFYCOHLLS-NSHDSACASA-N 2 0 222.336 0.818 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCC[NH2+]C1CC1 ZINC000637340680 350466492 /nfs/dbraw/zinc/46/64/92/350466492.db2.gz UWXXVHFDNQUTRJ-NSHDSACASA-N 2 0 242.367 0.411 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000571679586 323343256 /nfs/dbraw/zinc/34/32/56/323343256.db2.gz NZJNVJUMYONJQE-DCAQKATOSA-N 2 0 227.352 0.285 20 0 BCADRP C[C@@H]1CN(C(=O)NCC[NH2+]C2CC2)[C@H](C)C[NH2+]1 ZINC000637340007 350465809 /nfs/dbraw/zinc/46/58/09/350465809.db2.gz NMPDGDKOMBCEHI-NXEZZACHSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC[NH2+]C1CC1 ZINC000637339604 350465973 /nfs/dbraw/zinc/46/59/73/350465973.db2.gz KRAAQNSBPQUUGX-GXSJLCMTSA-N 2 0 240.351 0.036 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000577474100 365962533 /nfs/dbraw/zinc/96/25/33/365962533.db2.gz RJZDPYRYMYFHSX-MNOVXSKESA-N 2 0 227.352 0.490 20 0 BCADRP C[NH2+]CCNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000418316903 323368470 /nfs/dbraw/zinc/36/84/70/323368470.db2.gz LCBRGEOTWQZQPS-UHFFFAOYSA-N 2 0 240.351 0.086 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000577486972 365965165 /nfs/dbraw/zinc/96/51/65/365965165.db2.gz SNPIVMSNWWRZRP-LLVKDONJSA-N 2 0 242.367 0.494 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000577489306 365966637 /nfs/dbraw/zinc/96/66/37/365966637.db2.gz PWZKPQLNOSNMTJ-QWRGUYRKSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000309464301 350538970 /nfs/dbraw/zinc/53/89/70/350538970.db2.gz PLRJBRPKXGBQIN-VHSXEESVSA-N 2 0 213.325 0.169 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000228005445 350523697 /nfs/dbraw/zinc/52/36/97/350523697.db2.gz RKTASHQZCMEGAF-WDEREUQCSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCCCC[NH3+] ZINC000577512116 365976433 /nfs/dbraw/zinc/97/64/33/365976433.db2.gz KBXYRJRYDZDELG-CMPLNLGQSA-N 2 0 227.352 0.749 20 0 BCADRP C[C@@H]1CC[N@H+](CCn2ccnc2)[C@H](C(N)=O)C1 ZINC000187411106 350602017 /nfs/dbraw/zinc/60/20/17/350602017.db2.gz KMUNLIMZYGGPCZ-MNOVXSKESA-N 2 0 236.319 0.469 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)CCCC[NH3+] ZINC000309500707 350615009 /nfs/dbraw/zinc/61/50/09/350615009.db2.gz UVGAMKUEQHZYBI-JTQLQIEISA-N 2 0 215.341 0.749 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000309505656 350679739 /nfs/dbraw/zinc/67/97/39/350679739.db2.gz VVQPMRDURUPSFS-SNVBAGLBSA-N 2 0 213.325 0.086 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000571045107 350692489 /nfs/dbraw/zinc/69/24/89/350692489.db2.gz ZWNRSRHGIIJGFD-QJPTWQEYSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](C)C[NH3+])C1 ZINC000309513916 350694089 /nfs/dbraw/zinc/69/40/89/350694089.db2.gz YBZQONUKWTVIOY-OPRDCNLKSA-N 2 0 213.325 0.167 20 0 BCADRP COC[C@@H](C)C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000571055310 350726284 /nfs/dbraw/zinc/72/62/84/350726284.db2.gz STVUEFWDUWBGOS-QWRGUYRKSA-N 2 0 200.326 0.858 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000422792729 192469817 /nfs/dbraw/zinc/46/98/17/192469817.db2.gz WEUMUKUQYJENGO-ZJUUUORDSA-N 2 0 215.341 0.332 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[NH+](C)C ZINC000617347368 350813918 /nfs/dbraw/zinc/81/39/18/350813918.db2.gz KZMWJXVJYWGAEF-WDEREUQCSA-N 2 0 241.379 0.926 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]C/C=C/CO)CC1(C)C ZINC000623564000 362989907 /nfs/dbraw/zinc/98/99/07/362989907.db2.gz PDGFOWGAQAPFQA-ZWNMCFTASA-N 2 0 212.337 0.997 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000571402552 350974950 /nfs/dbraw/zinc/97/49/50/350974950.db2.gz RFRSUKMKCCNZCR-SRVKXCTJSA-N 2 0 239.363 0.809 20 0 BCADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)CC1(C)C ZINC000623571505 363001445 /nfs/dbraw/zinc/00/14/45/363001445.db2.gz YUQQBDGLKCFYBS-MNOVXSKESA-N 2 0 239.363 0.727 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](O)C2)CC1(C)C ZINC000623575408 363004601 /nfs/dbraw/zinc/00/46/01/363004601.db2.gz ZFKRZOHUVZVMKH-DCAQKATOSA-N 2 0 212.337 0.972 20 0 BCADRP [NH3+]CCN1c2ccccc2CC[C@@H]1C[NH3+] ZINC000616669927 351229651 /nfs/dbraw/zinc/22/96/51/351229651.db2.gz SWUWLEWBIAMJDK-LLVKDONJSA-N 2 0 205.305 0.725 20 0 BCADRP [NH3+]CC[C@H]1Cc2ccccc2N(CC[NH3+])C1 ZINC000616671645 351234324 /nfs/dbraw/zinc/23/43/24/351234324.db2.gz KIIZOSKRKKMCJF-NSHDSACASA-N 2 0 219.332 0.973 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000088050923 351539353 /nfs/dbraw/zinc/53/93/53/351539353.db2.gz DTDHXXZUYWNARD-SECBINFHSA-N 2 0 223.320 0.221 20 0 BCADRP C[NH+]1CCC(CNC(=O)C2([NH3+])CCC2)CC1 ZINC000088050908 351539500 /nfs/dbraw/zinc/53/95/00/351539500.db2.gz ZPADBWDRWAIEJS-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)COC)CC1 ZINC000572149588 323547599 /nfs/dbraw/zinc/54/75/99/323547599.db2.gz KUJVHTFREXNDNW-CYBMUJFWSA-N 2 0 244.379 0.705 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000577637034 366028335 /nfs/dbraw/zinc/02/83/35/366028335.db2.gz GOUAWTHSDBZGHT-KXNHARMFSA-N 2 0 237.347 0.467 20 0 BCADRP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000577620868 366021251 /nfs/dbraw/zinc/02/12/51/366021251.db2.gz DLLHQECPCATCSD-MXWKQRLJSA-N 2 0 225.336 0.276 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]([NH3+])CCC(C)C)C1 ZINC000637802727 351634230 /nfs/dbraw/zinc/63/42/30/351634230.db2.gz UBCPXUBNRWEICV-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC000637800859 351637343 /nfs/dbraw/zinc/63/73/43/351637343.db2.gz ISJZFSWSSWZDAW-SNVBAGLBSA-N 2 0 227.352 0.762 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(CCn2cncn2)C1 ZINC000072860612 351638612 /nfs/dbraw/zinc/63/86/12/351638612.db2.gz KWSAGCKMZXAHHS-GFCCVEGCSA-N 2 0 237.351 0.552 20 0 BCADRP [NH3+]CC1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000637803267 351638881 /nfs/dbraw/zinc/63/88/81/351638881.db2.gz BVCHQNIEUYABSA-LLVKDONJSA-N 2 0 223.320 0.231 20 0 BCADRP C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000637821094 351661693 /nfs/dbraw/zinc/66/16/93/351661693.db2.gz SGBBNZLGPLTGLP-DLOVCJGASA-N 2 0 237.347 0.538 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000637805655 351642189 /nfs/dbraw/zinc/64/21/89/351642189.db2.gz OKNWPJKPFRMQQY-SECBINFHSA-N 2 0 237.303 0.529 20 0 BCADRP C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000637806676 351643939 /nfs/dbraw/zinc/64/39/39/351643939.db2.gz VNCDMSSGZIKFOG-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP C[C@H](C(=O)N(C)C1CC[NH2+]CC1)[NH+](C)C ZINC000637812251 351648143 /nfs/dbraw/zinc/64/81/43/351648143.db2.gz ZGAYSXLXSABTHL-SECBINFHSA-N 2 0 213.325 0.147 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000637815812 351655096 /nfs/dbraw/zinc/65/50/96/351655096.db2.gz XVCLJDAFGOZTBT-VXGBXAGGSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC000637817471 351662762 /nfs/dbraw/zinc/66/27/62/351662762.db2.gz SYEMKJCJLWWBFJ-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C ZINC000637819589 351659615 /nfs/dbraw/zinc/65/96/15/351659615.db2.gz VNGIVTPEKJFCQJ-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP CN(C(=O)CC[C@H]1CCC[NH2+]1)C1CC([NH3+])C1 ZINC000449630758 201990450 /nfs/dbraw/zinc/99/04/50/201990450.db2.gz JAIOMIAZFFMHJQ-HSOILSAZSA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000637797171 351622068 /nfs/dbraw/zinc/62/20/68/351622068.db2.gz MAKNGEGARGINBT-LLVKDONJSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]C1(c2noc(CCC3C[NH2+]C3)n2)CCCC1 ZINC000637795158 351624744 /nfs/dbraw/zinc/62/47/44/351624744.db2.gz RXCAVTDPRUNZTC-UHFFFAOYSA-N 2 0 236.319 0.950 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000637797701 351629915 /nfs/dbraw/zinc/62/99/15/351629915.db2.gz BUSZKEFACCOWPQ-GHMZBOCLSA-N 2 0 227.352 0.395 20 0 BCADRP CCCN(C(=O)[C@@H](C)[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000637831823 351680825 /nfs/dbraw/zinc/68/08/25/351680825.db2.gz CPKBTYSUMLBHRC-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP CCCN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000637832895 351682054 /nfs/dbraw/zinc/68/20/54/351682054.db2.gz NMQRYVOMXAWQMF-VXGBXAGGSA-N 2 0 237.347 0.634 20 0 BCADRP [NH3+][C@@H](CNC(=O)C1=CC[C@H]([NH3+])C1)c1ccccc1 ZINC000637834428 351688879 /nfs/dbraw/zinc/68/88/79/351688879.db2.gz ZAQDMUQMICNMDY-STQMWFEESA-N 2 0 245.326 0.850 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000637838801 351694035 /nfs/dbraw/zinc/69/40/35/351694035.db2.gz CGAYZHVROINPLE-OPRDCNLKSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@@H](C)[NH2+]1 ZINC000637840087 351695008 /nfs/dbraw/zinc/69/50/08/351695008.db2.gz NBNNLTKXYJDKOY-GWOFURMSSA-N 2 0 248.330 0.722 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@](C)(C[NH3+])C2CC2)CC1 ZINC000637840324 351695511 /nfs/dbraw/zinc/69/55/11/351695511.db2.gz GPZWWKXHUMOJAB-GFCCVEGCSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](C(=O)NC1(C[NH3+])CCCC1)[NH+](C)C ZINC000637841497 351697121 /nfs/dbraw/zinc/69/71/21/351697121.db2.gz SJPDRJPVLAKMJO-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[NH2+]1 ZINC000637841398 351697416 /nfs/dbraw/zinc/69/74/16/351697416.db2.gz OPHWUHLVBUXDKM-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP Cc1nc[nH]c1CC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000637844403 351700001 /nfs/dbraw/zinc/70/00/01/351700001.db2.gz NGDOVECNFPOPMN-SNVBAGLBSA-N 2 0 238.335 0.750 20 0 BCADRP C[C@@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)CC[C@@H]1[NH3+] ZINC000637846695 351704531 /nfs/dbraw/zinc/70/45/31/351704531.db2.gz YLTMCRAVFFUFIO-IEBDPFPHSA-N 2 0 223.320 0.230 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000637847010 351705079 /nfs/dbraw/zinc/70/50/79/351705079.db2.gz KRWRSWAGFXOGQJ-UWVGGRQHSA-N 2 0 211.309 0.133 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000637847035 351705250 /nfs/dbraw/zinc/70/52/50/351705250.db2.gz FMUSEFXTIRHGCU-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP Cc1cn2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2n1 ZINC000637821919 351666495 /nfs/dbraw/zinc/66/64/95/351666495.db2.gz FSJVROGWRGZDGG-NSHDSACASA-N 2 0 244.298 0.816 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000637822650 351667459 /nfs/dbraw/zinc/66/74/59/351667459.db2.gz MXUHVPUDKJTSSN-MNOVXSKESA-N 2 0 223.320 0.244 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000577725804 366044186 /nfs/dbraw/zinc/04/41/86/366044186.db2.gz QQPPSUMSNSFOIO-IJLUTSLNSA-N 2 0 241.379 0.995 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000637823814 351668877 /nfs/dbraw/zinc/66/88/77/351668877.db2.gz JFOODLHALOXRAU-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]([NH3+])CCC(C)C ZINC000637823684 351668881 /nfs/dbraw/zinc/66/88/81/351668881.db2.gz IFCGLYRUCVUKNY-VIFPVBQESA-N 2 0 201.314 0.086 20 0 BCADRP C[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000637825919 351671280 /nfs/dbraw/zinc/67/12/80/351671280.db2.gz DBIBOGXHCAYVRS-UHFFFAOYSA-N 2 0 225.336 0.198 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]([NH3+])CCC(C)C ZINC000637826646 351674294 /nfs/dbraw/zinc/67/42/94/351674294.db2.gz VTTVAEQNKXYMHM-SNVBAGLBSA-N 2 0 215.341 0.476 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000637827249 351675930 /nfs/dbraw/zinc/67/59/30/351675930.db2.gz OILSMQLDMDMKFD-MNOVXSKESA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000577731781 366046719 /nfs/dbraw/zinc/04/67/19/366046719.db2.gz SHNJXIZLPIGXKQ-BDAKNGLRSA-N 2 0 249.305 0.699 20 0 BCADRP CC(C)([NH3+])CNC(=O)c1ccccc1CC[NH3+] ZINC000577764370 366056812 /nfs/dbraw/zinc/05/68/12/366056812.db2.gz AKJDWDIRFNGYJB-UHFFFAOYSA-N 2 0 235.331 0.655 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH2+]CC1(C)C ZINC000637857188 351717839 /nfs/dbraw/zinc/71/78/39/351717839.db2.gz NDEGJPZHMYYEIF-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC([NH3+])(CC)CC ZINC000637858373 351719924 /nfs/dbraw/zinc/71/99/24/351719924.db2.gz AMBHSXOFBJPVQI-SECBINFHSA-N 2 0 215.341 0.618 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCC(C)C ZINC000637861303 351722292 /nfs/dbraw/zinc/72/22/92/351722292.db2.gz FBZPXJLQSCRBQA-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000637855854 351715639 /nfs/dbraw/zinc/71/56/39/351715639.db2.gz ZDLVQJSVXTZBOE-WDEREUQCSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC(C[NH3+])CC1 ZINC000577848197 366082283 /nfs/dbraw/zinc/08/22/83/366082283.db2.gz DQVAWLHREASXCV-SECBINFHSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@@H]1CCC[C@@H]1[NH3+] ZINC000340081110 351882882 /nfs/dbraw/zinc/88/28/82/351882882.db2.gz ABUXCAFZVOMVGU-GARJFASQSA-N 2 0 227.352 0.603 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000638075247 351947252 /nfs/dbraw/zinc/94/72/52/351947252.db2.gz DAMYKDZEXGMUMD-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000638046702 351925990 /nfs/dbraw/zinc/92/59/90/351925990.db2.gz DTRDVHQLBQCTTP-LLVKDONJSA-N 2 0 229.368 0.818 20 0 BCADRP CC[NH+](CC)CCCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638047556 351926764 /nfs/dbraw/zinc/92/67/64/351926764.db2.gz HQGFAQQSKLEYHL-LBPRGKRZSA-N 2 0 239.363 0.882 20 0 BCADRP C[NH+]1CCC(NC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638051300 351928465 /nfs/dbraw/zinc/92/84/65/351928465.db2.gz ZYKOHRVMZKBJNL-JTQLQIEISA-N 2 0 223.320 0.244 20 0 BCADRP C[NH+]1CCC(NC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638051302 351928647 /nfs/dbraw/zinc/92/86/47/351928647.db2.gz ZYKOHRVMZKBJNL-SNVBAGLBSA-N 2 0 223.320 0.244 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCCC[NH+]1CCCCC1 ZINC000638056107 351932842 /nfs/dbraw/zinc/93/28/42/351932842.db2.gz WEDNDBQKYKIWOI-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000638076117 351948865 /nfs/dbraw/zinc/94/88/65/351948865.db2.gz JAKRAIXKESRTOM-GXSJLCMTSA-N 2 0 227.352 0.441 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000638072230 351944986 /nfs/dbraw/zinc/94/49/86/351944986.db2.gz KZRPSAOEYDVWBZ-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000638072975 351945498 /nfs/dbraw/zinc/94/54/98/351945498.db2.gz WKABLFIQHBXADW-ZDUSSCGKSA-N 2 0 249.358 0.588 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000638073908 351945850 /nfs/dbraw/zinc/94/58/50/351945850.db2.gz HIKWMIGDLJYUSF-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H](C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)[NH+](C)C ZINC000638145321 352008014 /nfs/dbraw/zinc/00/80/14/352008014.db2.gz KMVRQVVQDLGGPQ-OPRDCNLKSA-N 2 0 213.325 0.132 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]([NH3+])CCC(C)C ZINC000638147869 352009907 /nfs/dbraw/zinc/00/99/07/352009907.db2.gz POXCKLNNZIJDFL-NSHDSACASA-N 2 0 229.368 0.866 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000638077732 351950754 /nfs/dbraw/zinc/95/07/54/351950754.db2.gz VUOZPQFBZUJJDI-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000638077731 351950851 /nfs/dbraw/zinc/95/08/51/351950851.db2.gz VUOZPQFBZUJJDI-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000638080149 351953752 /nfs/dbraw/zinc/95/37/52/351953752.db2.gz ZLUNTLUXFAXJNZ-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000638080869 351954424 /nfs/dbraw/zinc/95/44/24/351954424.db2.gz SDJFGWYINSTJFJ-SECBINFHSA-N 2 0 239.319 0.727 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000638082002 351955163 /nfs/dbraw/zinc/95/51/63/351955163.db2.gz RPUDUBBZLCHYJQ-WDEREUQCSA-N 2 0 235.331 0.387 20 0 BCADRP C[N@H+](CCNC(=O)C1=CC[C@H]([NH3+])C1)C1CC1 ZINC000638082220 351955643 /nfs/dbraw/zinc/95/56/43/351955643.db2.gz GFTCFOMRDUYBNV-JTQLQIEISA-N 2 0 223.320 0.244 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000638081462 351957498 /nfs/dbraw/zinc/95/74/98/351957498.db2.gz MAMGCUPCAYGOIR-NXEZZACHSA-N 2 0 225.336 0.337 20 0 BCADRP C[NH+]1CCC(CNC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638085002 351961137 /nfs/dbraw/zinc/96/11/37/351961137.db2.gz JAXXVEVRYBBWGE-GFCCVEGCSA-N 2 0 237.347 0.492 20 0 BCADRP C[NH+]1CCC(CNC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638085005 351961231 /nfs/dbraw/zinc/96/12/31/351961231.db2.gz JAXXVEVRYBBWGE-LBPRGKRZSA-N 2 0 237.347 0.492 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000638085112 351961257 /nfs/dbraw/zinc/96/12/57/351961257.db2.gz JNRPILGNRRUERK-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000638085116 351961466 /nfs/dbraw/zinc/96/14/66/351961466.db2.gz JNRPILGNRRUERK-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP O=C(CCC1C[NH2+]C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000638086473 351963915 /nfs/dbraw/zinc/96/39/15/351963915.db2.gz ZLHUWFXNPRWABT-LLVKDONJSA-N 2 0 237.347 0.339 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000638151786 352011835 /nfs/dbraw/zinc/01/18/35/352011835.db2.gz AMHBHNAWZONLPZ-ONGXEEELSA-N 2 0 225.336 0.182 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000638151785 352011935 /nfs/dbraw/zinc/01/19/35/352011935.db2.gz AMHBHNAWZONLPZ-MWLCHTKSSA-N 2 0 225.336 0.182 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCc1nccn1C ZINC000638102608 351981757 /nfs/dbraw/zinc/98/17/57/351981757.db2.gz JTMQPYZZJHYAGL-QMMMGPOBSA-N 2 0 210.281 0.034 20 0 BCADRP CN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000638102220 351983507 /nfs/dbraw/zinc/98/35/07/351983507.db2.gz UCQOPOZCGBAZCS-YPMHNXCESA-N 2 0 249.358 0.729 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000638130640 352000480 /nfs/dbraw/zinc/00/04/80/352000480.db2.gz LZAGNIBJLSFUQT-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000638132411 352000630 /nfs/dbraw/zinc/00/06/30/352000630.db2.gz DNEVADHEJTWTRB-NSHDSACASA-N 2 0 248.330 0.468 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000638133515 352000798 /nfs/dbraw/zinc/00/07/98/352000798.db2.gz IIGXRRQEFNXQPG-CKYFFXLPSA-N 2 0 239.363 0.583 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH3+] ZINC000638140369 352003607 /nfs/dbraw/zinc/00/36/07/352003607.db2.gz AIOVEIDEVUMMIS-UWVGGRQHSA-N 2 0 215.341 0.461 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H](C)C[NH3+] ZINC000638140371 352003982 /nfs/dbraw/zinc/00/39/82/352003982.db2.gz AIOVEIDEVUMMIS-ZJUUUORDSA-N 2 0 215.341 0.461 20 0 BCADRP CC[C@H](C(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000638139012 352005381 /nfs/dbraw/zinc/00/53/81/352005381.db2.gz RYULSHCFWYMGOL-NWDGAFQWSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638176841 352042843 /nfs/dbraw/zinc/04/28/43/352042843.db2.gz GIHAZFCKDOPUFG-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000638179132 352045979 /nfs/dbraw/zinc/04/59/79/352045979.db2.gz QBIRTHZEJXEDBX-OPRDCNLKSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC000638182192 352049429 /nfs/dbraw/zinc/04/94/29/352049429.db2.gz WMKMMNQXERRQIX-MNOVXSKESA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638182401 352049541 /nfs/dbraw/zinc/04/95/41/352049541.db2.gz XIGDGKRGJUFEMG-KOLCDFICSA-N 2 0 225.336 0.100 20 0 BCADRP C(C[C@H]1CCO1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638186108 352050719 /nfs/dbraw/zinc/05/07/19/352050719.db2.gz LGHFWJYIULMBPQ-TUAOUCFPSA-N 2 0 210.321 0.707 20 0 BCADRP C(C[C@@H]1CCO1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000638186107 352051245 /nfs/dbraw/zinc/05/12/45/352051245.db2.gz LGHFWJYIULMBPQ-SDDRHHMPSA-N 2 0 210.321 0.707 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000638190036 352053612 /nfs/dbraw/zinc/05/36/12/352053612.db2.gz GVWKVNWYRNDISJ-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638212928 352075286 /nfs/dbraw/zinc/07/52/86/352075286.db2.gz AWBSWIHGTVZPQU-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000638194436 352057201 /nfs/dbraw/zinc/05/72/01/352057201.db2.gz APSWZZYERZPULH-GHMZBOCLSA-N 2 0 223.320 0.292 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000638194438 352057214 /nfs/dbraw/zinc/05/72/14/352057214.db2.gz APSWZZYERZPULH-QWRGUYRKSA-N 2 0 223.320 0.292 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000638196142 352060526 /nfs/dbraw/zinc/06/05/26/352060526.db2.gz WEUOYLNWMJBZJE-VHSXEESVSA-N 2 0 213.325 0.243 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000638200119 352061233 /nfs/dbraw/zinc/06/12/33/352061233.db2.gz ONZMFAQDVNMUSH-WOPDTQHZSA-N 2 0 239.363 0.857 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638213607 352075572 /nfs/dbraw/zinc/07/55/72/352075572.db2.gz LSIUWVKEGXKLNO-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH+](C)C ZINC000638203622 352064928 /nfs/dbraw/zinc/06/49/28/352064928.db2.gz NGFDRDINFBRMCC-OPRDCNLKSA-N 2 0 213.325 0.051 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[NH+](C)C ZINC000638203619 352064937 /nfs/dbraw/zinc/06/49/37/352064937.db2.gz NGFDRDINFBRMCC-IVZWLZJFSA-N 2 0 213.325 0.051 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C)[NH+](C)C ZINC000638203616 352065138 /nfs/dbraw/zinc/06/51/38/352065138.db2.gz NGFDRDINFBRMCC-BBBLOLIVSA-N 2 0 213.325 0.051 20 0 BCADRP CC[C@@H](C(=O)NC1(C)CC[NH2+]CC1)[NH+](C)C ZINC000638207261 352066685 /nfs/dbraw/zinc/06/66/85/352066685.db2.gz YRXNUFUOEXRCOT-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)[NH+](C)C ZINC000638206728 352069055 /nfs/dbraw/zinc/06/90/55/352069055.db2.gz NGGTTZNEAVZDLT-OPRDCNLKSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638208906 352071595 /nfs/dbraw/zinc/07/15/95/352071595.db2.gz WORPMDITRMANRA-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638155423 352018383 /nfs/dbraw/zinc/01/83/83/352018383.db2.gz JTOQEBFDVZPJKE-JMJZKYOTSA-N 2 0 223.320 0.230 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000638156139 352018872 /nfs/dbraw/zinc/01/88/72/352018872.db2.gz HCEKUXPUVDGPFG-BBBLOLIVSA-N 2 0 213.325 0.132 20 0 BCADRP C[C@H]([NH3+])CC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000638157051 352021465 /nfs/dbraw/zinc/02/14/65/352021465.db2.gz VVXSYGIYTFFSME-WPRPVWTQSA-N 2 0 248.330 0.573 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC000638159291 352023305 /nfs/dbraw/zinc/02/33/05/352023305.db2.gz WTASPJRGCMIFMV-MNOVXSKESA-N 2 0 239.363 0.524 20 0 BCADRP C[C@@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)[C@@H](C)C[NH2+]1 ZINC000638159511 352023985 /nfs/dbraw/zinc/02/39/85/352023985.db2.gz XPZUAEXRMJUUNS-WCABBAIRSA-N 2 0 223.320 0.243 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H](CC)[NH+](C)C ZINC000638160208 352024924 /nfs/dbraw/zinc/02/49/24/352024924.db2.gz HPCCENDLZVJUFV-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H](C(=O)NCC1(C)CC[NH2+]CC1)[NH+](C)C ZINC000638161885 352025799 /nfs/dbraw/zinc/02/57/99/352025799.db2.gz APHLIGPUTOYTDE-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000638165086 352029764 /nfs/dbraw/zinc/02/97/64/352029764.db2.gz OOIMSMYSOIKTNU-KXNHARMFSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@]1(CNC(=O)C2=CC[C@H]([NH3+])C2)CCC[NH2+]C1 ZINC000638164285 352032241 /nfs/dbraw/zinc/03/22/41/352032241.db2.gz KHBKEKVOWNKIFW-WCQYABFASA-N 2 0 237.347 0.540 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000638167630 352035250 /nfs/dbraw/zinc/03/52/50/352035250.db2.gz GDSAOEGNPTUEAE-AAEUAGOBSA-N 2 0 235.331 0.246 20 0 BCADRP C[N@@H+]1CCCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638168275 352036017 /nfs/dbraw/zinc/03/60/17/352036017.db2.gz CRXOWGRSABFKRD-LLVKDONJSA-N 2 0 223.320 0.198 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC1=CC[NH2+]CC1 ZINC000638175655 352041255 /nfs/dbraw/zinc/04/12/55/352041255.db2.gz ILPXUIRJEJCXJK-VIFPVBQESA-N 2 0 211.309 0.020 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000638285024 352122053 /nfs/dbraw/zinc/12/20/53/352122053.db2.gz FCQCXFAUAWRFCG-SDDRHHMPSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCC[NH+](C)C ZINC000638290645 352126553 /nfs/dbraw/zinc/12/65/53/352126553.db2.gz SVURABGOYWFHRO-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)CCC1C[NH2+]C1 ZINC000638291814 352127873 /nfs/dbraw/zinc/12/78/73/352127873.db2.gz AWADLDKPQICULP-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH3+] ZINC000638211310 352077088 /nfs/dbraw/zinc/07/70/88/352077088.db2.gz PRSXNGKMNKLIBK-RKDXNWHRSA-N 2 0 201.314 0.213 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638215925 352078149 /nfs/dbraw/zinc/07/81/49/352078149.db2.gz DYSPKFZQGWDMAE-CMPLNLGQSA-N 2 0 237.347 0.621 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NCC[NH+](C)C ZINC000638227595 352083177 /nfs/dbraw/zinc/08/31/77/352083177.db2.gz STIQMDHVTMVDHE-JTQLQIEISA-N 2 0 215.341 0.428 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000638304506 352134549 /nfs/dbraw/zinc/13/45/49/352134549.db2.gz QNAKJSGSCCVJMO-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C)[NH+](C)C ZINC000638229190 352084965 /nfs/dbraw/zinc/08/49/65/352084965.db2.gz DHNCTXAJYXSUFH-NNYUYHANSA-N 2 0 241.379 0.829 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)CCC1C[NH2+]C1 ZINC000638235154 352086425 /nfs/dbraw/zinc/08/64/25/352086425.db2.gz RGKVFIHZZURZOS-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC[N@@H+]1C ZINC000638236324 352086855 /nfs/dbraw/zinc/08/68/55/352086855.db2.gz BVEBLKHODNPRSO-FIQHERPVSA-N 2 0 239.363 0.665 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@@H+]1C ZINC000638242897 352090165 /nfs/dbraw/zinc/09/01/65/352090165.db2.gz IZLJJCAGHDTURK-PREPNJAASA-N 2 0 237.347 0.051 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638243652 352091685 /nfs/dbraw/zinc/09/16/85/352091685.db2.gz QPYYDSNWJMVBMZ-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000638243570 352094096 /nfs/dbraw/zinc/09/40/96/352094096.db2.gz BHDHVQDWPIIOJM-NXEZZACHSA-N 2 0 225.336 0.243 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000638248951 352094746 /nfs/dbraw/zinc/09/47/46/352094746.db2.gz WGCAICKFXLAEPV-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000638249904 352095317 /nfs/dbraw/zinc/09/53/17/352095317.db2.gz ZQYANABKRYXKJL-UTUOFQBUSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000638249800 352095445 /nfs/dbraw/zinc/09/54/45/352095445.db2.gz WWFUPGBIGRDDRQ-LPEHRKFASA-N 2 0 228.340 0.150 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H](C)CCC[NH3+] ZINC000638252113 352095483 /nfs/dbraw/zinc/09/54/83/352095483.db2.gz PDKMXZQGUWAPLD-WDEREUQCSA-N 2 0 229.368 0.994 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638253515 352096319 /nfs/dbraw/zinc/09/63/19/352096319.db2.gz AEVCVTQSBFHHNA-BBBLOLIVSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)C1(C[NH+](C)C)CC1 ZINC000638253002 352096425 /nfs/dbraw/zinc/09/64/25/352096425.db2.gz ZPLKAPWYLVZIBU-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH3+] ZINC000638258036 352101305 /nfs/dbraw/zinc/10/13/05/352101305.db2.gz XMSHSGYWJTUGOV-DTWKUNHWSA-N 2 0 213.325 0.180 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000638261433 352103594 /nfs/dbraw/zinc/10/35/94/352103594.db2.gz GJWYNQWAPOZSGW-GHMZBOCLSA-N 2 0 227.352 0.633 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000638261279 352103673 /nfs/dbraw/zinc/10/36/73/352103673.db2.gz DJYWHEUZKRWTSI-ZJUUUORDSA-N 2 0 227.352 0.489 20 0 BCADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1(C[NH3+])CCC1 ZINC000638261982 352104416 /nfs/dbraw/zinc/10/44/16/352104416.db2.gz KGWACTPUWRKEEQ-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])CCC(C)C ZINC000638260251 352104478 /nfs/dbraw/zinc/10/44/78/352104478.db2.gz XJXDGNQKPACVCJ-ZJUUUORDSA-N 2 0 215.341 0.603 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638263508 352105473 /nfs/dbraw/zinc/10/54/73/352105473.db2.gz RXVUFSXXSWYDAK-QWRGUYRKSA-N 2 0 237.347 0.538 20 0 BCADRP C[C@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)[NH+](C)C ZINC000638265077 352105512 /nfs/dbraw/zinc/10/55/12/352105512.db2.gz BECMXBUGLIESRE-RQJHMYQMSA-N 2 0 241.257 0.332 20 0 BCADRP C[NH2+]CC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000083960732 352105561 /nfs/dbraw/zinc/10/55/61/352105561.db2.gz ULCXXQQAGMELHC-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638271157 352109405 /nfs/dbraw/zinc/10/94/05/352109405.db2.gz TYIPQHIQZLDPSZ-UWVGGRQHSA-N 2 0 223.320 0.291 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638276221 352112874 /nfs/dbraw/zinc/11/28/74/352112874.db2.gz RPEAPLIEWRWZQF-RYUDHWBXSA-N 2 0 237.347 0.587 20 0 BCADRP CN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@H](C[NH3+])C1CC1 ZINC000638332055 352153698 /nfs/dbraw/zinc/15/36/98/352153698.db2.gz MDFFGMOGNYGKMC-GHMZBOCLSA-N 2 0 223.320 0.230 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CCC1C[NH2+]C1 ZINC000638336547 352155262 /nfs/dbraw/zinc/15/52/62/352155262.db2.gz VXUGFDAVFDQNTC-JTQLQIEISA-N 2 0 227.352 0.476 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@@H](C[NH3+])C(C)(C)C)CC1 ZINC000638335436 352157011 /nfs/dbraw/zinc/15/70/11/352157011.db2.gz JXMRLPLBRIUJMW-JTQLQIEISA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000638344729 352161570 /nfs/dbraw/zinc/16/15/70/352161570.db2.gz XTEHTOHUIPLBEX-YUSALJHKSA-N 2 0 237.347 0.477 20 0 BCADRP CN(CC[NH3+])C(=O)C[N@H+](C)CC(C)(C)C ZINC000638343015 352161737 /nfs/dbraw/zinc/16/17/37/352161737.db2.gz JSTIUTDZVIRAJD-UHFFFAOYSA-N 2 0 215.341 0.381 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000638342801 352161854 /nfs/dbraw/zinc/16/18/54/352161854.db2.gz RHSXALFTZSXMSZ-HBNTYKKESA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638345693 352164287 /nfs/dbraw/zinc/16/42/87/352164287.db2.gz XCADHDUNYWWACH-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000638356021 352168396 /nfs/dbraw/zinc/16/83/96/352168396.db2.gz FPNZXBRNDVETDY-LMLFDSFASA-N 2 0 227.352 0.556 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000638364996 352175565 /nfs/dbraw/zinc/17/55/65/352175565.db2.gz VAALWDLCDRJJPP-HBNTYKKESA-N 2 0 223.320 0.420 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000638364154 352177070 /nfs/dbraw/zinc/17/70/70/352177070.db2.gz CZAJBDVHAIATHU-UTUOFQBUSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638368715 352178118 /nfs/dbraw/zinc/17/81/18/352178118.db2.gz MJLMINFMSQZBGK-AXFHLTTASA-N 2 0 227.352 0.713 20 0 BCADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2OCC[C@@H]2[NH3+])c1 ZINC000638367444 352178490 /nfs/dbraw/zinc/17/84/90/352178490.db2.gz VDKZVIXIGWFJKM-NWDGAFQWSA-N 2 0 249.314 0.508 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000638367868 352178913 /nfs/dbraw/zinc/17/89/13/352178913.db2.gz ZAQSOCMEGLQQAG-VHSXEESVSA-N 2 0 225.336 0.515 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000638370394 352180231 /nfs/dbraw/zinc/18/02/31/352180231.db2.gz LYDQJCGFYGEURN-WISYIIOYSA-N 2 0 241.379 0.959 20 0 BCADRP CC[C@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])[NH+](C)C ZINC000638369336 352182158 /nfs/dbraw/zinc/18/21/58/352182158.db2.gz GEDAZVMVLUEZME-LPEHRKFASA-N 2 0 215.341 0.569 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638370972 352184193 /nfs/dbraw/zinc/18/41/93/352184193.db2.gz OEHBMCBNBWVNBC-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000638375554 352185020 /nfs/dbraw/zinc/18/50/20/352185020.db2.gz CAUXOCNEHVIIBN-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](C(=O)NCCC[NH2+]C1CC1)[NH+](C)C ZINC000638374491 352187255 /nfs/dbraw/zinc/18/72/55/352187255.db2.gz METLMVXISJSHEA-SECBINFHSA-N 2 0 213.325 0.195 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)[C@@H](C)[NH+](C)C ZINC000638384612 352195166 /nfs/dbraw/zinc/19/51/66/352195166.db2.gz DQMVFNVDYSEVMW-LLVKDONJSA-N 2 0 249.358 0.972 20 0 BCADRP [NH3+]C[C@H](NC(=O)CCC1C[NH2+]C1)C1CCCC1 ZINC000638325188 352146279 /nfs/dbraw/zinc/14/62/79/352146279.db2.gz BODAXHCTXWKNRU-LBPRGKRZSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C1=CC[C@H]([NH3+])C1)C1CCCC1 ZINC000638326827 352146922 /nfs/dbraw/zinc/14/69/22/352146922.db2.gz QHJVYLQRVVXQQX-NWDGAFQWSA-N 2 0 237.347 0.668 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638398520 352206040 /nfs/dbraw/zinc/20/60/40/352206040.db2.gz UXEOLWYICOYICD-IEBDPFPHSA-N 2 0 223.320 0.372 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638398518 352206280 /nfs/dbraw/zinc/20/62/80/352206280.db2.gz UXEOLWYICOYICD-DVVUODLYSA-N 2 0 223.320 0.372 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCC[C@H](C)[NH+](C)C ZINC000638407888 352212966 /nfs/dbraw/zinc/21/29/66/352212966.db2.gz CUCKNXBMJWFXJV-IUCAKERBSA-N 2 0 201.314 0.180 20 0 BCADRP [NH3+]C1(CNC(=O)CCC2C[NH2+]C2)CCCC1 ZINC000638409087 352218936 /nfs/dbraw/zinc/21/89/36/352218936.db2.gz HVHDNTCGDJLKOJ-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C)CCN2C)CS1 ZINC000252117989 363124517 /nfs/dbraw/zinc/12/45/17/363124517.db2.gz KLESITKRKPYQMH-UTUOFQBUSA-N 2 0 243.420 0.716 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000638433159 352242062 /nfs/dbraw/zinc/24/20/62/352242062.db2.gz QPXANQGCCZRCDA-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@@H](C(=O)N[C@]1(C)CC[NH2+]C1)[NH+](C)C ZINC000638435596 352245728 /nfs/dbraw/zinc/24/57/28/352245728.db2.gz DBLAERITDABZOQ-GXSJLCMTSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@@H](C(=O)N[C@@]1(C)CC[NH2+]C1)[NH+](C)C ZINC000638435601 352245954 /nfs/dbraw/zinc/24/59/54/352245954.db2.gz DBLAERITDABZOQ-ONGXEEELSA-N 2 0 213.325 0.195 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)CCC1C[NH2+]C1)C2 ZINC000638441390 352247824 /nfs/dbraw/zinc/24/78/24/352247824.db2.gz GRIBMFCJFKPAMA-AAEUAGOBSA-N 2 0 237.347 0.326 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000638440247 352249652 /nfs/dbraw/zinc/24/96/52/352249652.db2.gz NWLIBFKWLPUDFH-JQWIXIFHSA-N 2 0 225.336 0.339 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000638442400 352252049 /nfs/dbraw/zinc/25/20/49/352252049.db2.gz UQWFBEFGLDFGAZ-LOWVWBTDSA-N 2 0 235.331 0.374 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@H]2CC[NH2+]C23CCC3)o1 ZINC000638498215 352315066 /nfs/dbraw/zinc/31/50/66/352315066.db2.gz KIFOPSWBHYUAAL-NSHDSACASA-N 2 0 249.314 0.753 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638497945 352317686 /nfs/dbraw/zinc/31/76/86/352317686.db2.gz IYAHEWPQANQFSS-SNVBAGLBSA-N 2 0 239.363 0.905 20 0 BCADRP C[C@@]1(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC[NH2+]C1 ZINC000638499517 352319303 /nfs/dbraw/zinc/31/93/03/352319303.db2.gz PZWPCVMOZISLNW-ZYHUDNBSSA-N 2 0 237.347 0.387 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627064009 363179410 /nfs/dbraw/zinc/17/94/10/363179410.db2.gz NUCRTYOVOVJOEV-WDEREUQCSA-N 2 0 242.367 0.426 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627063218 363179493 /nfs/dbraw/zinc/17/94/93/363179493.db2.gz OUHSRORPQCHICX-VHSXEESVSA-N 2 0 228.340 0.036 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)CCC(C)(C)[NH3+] ZINC000638482683 352291641 /nfs/dbraw/zinc/29/16/41/352291641.db2.gz DQHHPWIAYLYPCA-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000638482696 352291647 /nfs/dbraw/zinc/29/16/47/352291647.db2.gz FBPLMXWVBJWUJV-VXGBXAGGSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)CCC[NH3+] ZINC000638483482 352293391 /nfs/dbraw/zinc/29/33/91/352293391.db2.gz KIIQAIOSDSCWBU-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)CC(C)(C)[NH3+] ZINC000638484466 352294204 /nfs/dbraw/zinc/29/42/04/352294204.db2.gz QWNWKTVJFWJMBR-JTQLQIEISA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000638485132 352295043 /nfs/dbraw/zinc/29/50/43/352295043.db2.gz XCTHOGQTDXTQCN-MNOVXSKESA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C[N@H+](C)C(C)C ZINC000638490262 352299432 /nfs/dbraw/zinc/29/94/32/352299432.db2.gz TYVTZBBAHNKAPQ-LBPRGKRZSA-N 2 0 241.379 0.783 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638489739 352301387 /nfs/dbraw/zinc/30/13/87/352301387.db2.gz POMRHPKWEWHLAV-ZJUUUORDSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638489738 352301527 /nfs/dbraw/zinc/30/15/27/352301527.db2.gz POMRHPKWEWHLAV-NXEZZACHSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H](C(=O)N1CC[NH2+]C[C@@H]1C(C)C)[NH+](C)C ZINC000638491413 352302595 /nfs/dbraw/zinc/30/25/95/352302595.db2.gz IDYOOALJGJLUJD-VXGBXAGGSA-N 2 0 241.379 0.783 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)CC[NH2+]C1CC1 ZINC000638491598 352303442 /nfs/dbraw/zinc/30/34/42/352303442.db2.gz HEZKQAWCXQZKQV-GFCCVEGCSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)CCC1C[NH2+]C1 ZINC000638492021 352304346 /nfs/dbraw/zinc/30/43/46/352304346.db2.gz QWLDNOFHLRTDIH-GFCCVEGCSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638495043 352309902 /nfs/dbraw/zinc/30/99/02/352309902.db2.gz DVMVLQOTEXSNFM-UWVGGRQHSA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638495044 352310151 /nfs/dbraw/zinc/31/01/51/352310151.db2.gz DVMVLQOTEXSNFM-ZJUUUORDSA-N 2 0 225.336 0.371 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638505304 352326732 /nfs/dbraw/zinc/32/67/32/352326732.db2.gz KTJJRRRBJBBUJQ-GHMZBOCLSA-N 2 0 237.347 0.387 20 0 BCADRP C[C@@]1(C(=O)N[C@H]2CC[NH2+]C23CCC3)CCC[NH2+]1 ZINC000638506888 352328675 /nfs/dbraw/zinc/32/86/75/352328675.db2.gz ZIZQHQLFLMRIST-JQWIXIFHSA-N 2 0 237.347 0.529 20 0 BCADRP [NH3+]CCCCC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638508220 352330155 /nfs/dbraw/zinc/33/01/55/352330155.db2.gz MLJRUGKBLHPKNJ-SNVBAGLBSA-N 2 0 225.336 0.516 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638511119 352335594 /nfs/dbraw/zinc/33/55/94/352335594.db2.gz ZOJDKZWMPMWJIG-VHSXEESVSA-N 2 0 237.347 0.385 20 0 BCADRP CCN(CC[NH3+])C(=O)c1cccc2c1CC[NH2+]C2 ZINC000638513676 352337017 /nfs/dbraw/zinc/33/70/17/352337017.db2.gz UYKMQJZVLUEFRH-UHFFFAOYSA-N 2 0 247.342 0.753 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000638516476 352343001 /nfs/dbraw/zinc/34/30/01/352343001.db2.gz SKDSIZURXNNXHA-QWRGUYRKSA-N 2 0 225.336 0.324 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000638516474 352343048 /nfs/dbraw/zinc/34/30/48/352343048.db2.gz SKDSIZURXNNXHA-GHMZBOCLSA-N 2 0 225.336 0.324 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000638516224 352343981 /nfs/dbraw/zinc/34/39/81/352343981.db2.gz OTIVBOMBNGCMLQ-JQWIXIFHSA-N 2 0 225.336 0.183 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000638516544 352344833 /nfs/dbraw/zinc/34/48/33/352344833.db2.gz DLBLIETUHXNDTG-ZDUSSCGKSA-N 2 0 235.331 0.668 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000638517634 352348227 /nfs/dbraw/zinc/34/82/27/352348227.db2.gz XYQIKDQTKAFCTN-NWDGAFQWSA-N 2 0 239.363 0.429 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000638573622 352399668 /nfs/dbraw/zinc/39/96/68/352399668.db2.gz GBLUMSBHECKBDA-VHSXEESVSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000638572702 352401242 /nfs/dbraw/zinc/40/12/42/352401242.db2.gz VCLZICVCEJMRPV-MEWQQHAOSA-N 2 0 237.347 0.243 20 0 BCADRP C(C[NH2+][C@H]1CCCNC1)C[C@H]1CCC[NH2+]1 ZINC000414957905 352378672 /nfs/dbraw/zinc/37/86/72/352378672.db2.gz CDCHIDAVXSRUFW-NEPJUHHUSA-N 2 0 211.353 0.860 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638572113 352400475 /nfs/dbraw/zinc/40/04/75/352400475.db2.gz HVBQRJPDLQTXKZ-OUAUKWLOSA-N 2 0 227.352 0.631 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000638566657 352393429 /nfs/dbraw/zinc/39/34/29/352393429.db2.gz BXZXNFYSLYAVFL-WDEREUQCSA-N 2 0 239.363 0.905 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1coc(C[NH3+])c1 ZINC000638571941 352396823 /nfs/dbraw/zinc/39/68/23/352396823.db2.gz BTINWCLBZRLMRM-WDEREUQCSA-N 2 0 237.303 0.609 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CC[C@@H](C)[NH3+] ZINC000638571939 352396956 /nfs/dbraw/zinc/39/69/56/352396956.db2.gz BTFYDPVSGMGMMP-KXUCPTDWSA-N 2 0 213.325 0.371 20 0 BCADRP CCN(CC[NH3+])C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000638522713 352357033 /nfs/dbraw/zinc/35/70/33/352357033.db2.gz PCORRWWWBJRQNR-UHFFFAOYSA-N 2 0 247.342 0.290 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)CCOCC[NH2+]C ZINC000638586133 352415858 /nfs/dbraw/zinc/41/58/58/352415858.db2.gz IGGRNUCCOXWQEP-QWRGUYRKSA-N 2 0 245.367 0.054 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000638574060 352403698 /nfs/dbraw/zinc/40/36/98/352403698.db2.gz NVDUMIZMCZQWPS-WRWGMCAJSA-N 2 0 241.379 0.863 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638577402 352405864 /nfs/dbraw/zinc/40/58/64/352405864.db2.gz YTIIPMHFUQWDDK-KXUCPTDWSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)C2CC[NH2+]CC2)C[NH2+]1 ZINC000638652804 352493772 /nfs/dbraw/zinc/49/37/72/352493772.db2.gz AEDTUZLYDOTULZ-MWLCHTKSSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])C[NH2+]1 ZINC000638652003 352492749 /nfs/dbraw/zinc/49/27/49/352492749.db2.gz PXSSARKKADJQJV-WRWGMCAJSA-N 2 0 239.363 0.761 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NC[C@H](C)[NH3+] ZINC000638634824 352476450 /nfs/dbraw/zinc/47/64/50/352476450.db2.gz GROHFWZUIWZQRA-QMMMGPOBSA-N 2 0 216.329 0.150 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)CC2([NH3+])CC2)C[NH2+]1 ZINC000638638677 352480945 /nfs/dbraw/zinc/48/09/45/352480945.db2.gz FPGNDMHXFCSBPA-IUCAKERBSA-N 2 0 211.309 0.125 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CCC[NH2+]1 ZINC000638640431 352484137 /nfs/dbraw/zinc/48/41/37/352484137.db2.gz BHWDEWXQJVYTMO-NQBHXWOUSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC000638642701 352484743 /nfs/dbraw/zinc/48/47/43/352484743.db2.gz JMRYLBNDAHIJTJ-GRYCIOLGSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)CC[C@@H]2CC[NH2+]C2)C[NH2+]1 ZINC000638641599 352485069 /nfs/dbraw/zinc/48/50/69/352485069.db2.gz FRNWDTGULQPGGU-IJLUTSLNSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@H]([NH3+])CC(F)F)C[NH2+]1 ZINC000638643625 352485994 /nfs/dbraw/zinc/48/59/94/352485994.db2.gz MQDAEZCKOBFLEO-BWZBUEFSSA-N 2 0 235.278 0.226 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643910 352486228 /nfs/dbraw/zinc/48/62/28/352486228.db2.gz NEBOGDGGOBIUDU-ZDCRXTMVSA-N 2 0 227.352 0.617 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638643572 352486278 /nfs/dbraw/zinc/48/62/78/352486278.db2.gz LYLMYVGIBIAVFZ-AXFHLTTASA-N 2 0 227.352 0.631 20 0 BCADRP Cc1ncc(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)[nH]1 ZINC000638644643 352488441 /nfs/dbraw/zinc/48/84/41/352488441.db2.gz QRCVXDGAKQVSBO-VXNVDRBHSA-N 2 0 222.292 0.588 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C[NH2+]1 ZINC000638646309 352488930 /nfs/dbraw/zinc/48/89/30/352488930.db2.gz YUIJUGXYOOZXRZ-MPPDQPJWSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)C[NH2+]1 ZINC000638653767 352494695 /nfs/dbraw/zinc/49/46/95/352494695.db2.gz HBRNITLEMYCTBK-HBNTYKKESA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@H]2[NH2+]CCC2(C)C)C[NH2+]1 ZINC000638653793 352495945 /nfs/dbraw/zinc/49/59/45/352495945.db2.gz ZHBIDRPPFUBOFE-GMTAPVOTSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)C[NH2+]CC2CC2)C[NH2+]1 ZINC000638655435 352496746 /nfs/dbraw/zinc/49/67/46/352496746.db2.gz QTMOTAHSXAHJRB-ONGXEEELSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)CC(C)(C)[NH3+])C[NH2+]1 ZINC000638657589 352498472 /nfs/dbraw/zinc/49/84/72/352498472.db2.gz WUWDIIWTFQPQAP-BDAKNGLRSA-N 2 0 213.325 0.371 20 0 BCADRP CC(C)[C@H](C(=O)NCCOCCC[NH3+])[C@@H](C)[NH3+] ZINC000638662318 352505532 /nfs/dbraw/zinc/50/55/32/352505532.db2.gz SPTXQBSLSOIUEI-MNOVXSKESA-N 2 0 245.367 0.087 20 0 BCADRP C[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638670775 352512565 /nfs/dbraw/zinc/51/25/65/352512565.db2.gz KETQHSGHKPZGCN-VIFPVBQESA-N 2 0 249.314 0.715 20 0 BCADRP C1[C@@H]([NH2+][C@@H]2CCCNC2)[C@@H]1C1CC[NH2+]CC1 ZINC000415013994 352550536 /nfs/dbraw/zinc/55/05/36/352550536.db2.gz WDJXZBNBQDQVHP-FRRDWIJNSA-N 2 0 223.364 0.716 20 0 BCADRP CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638670281 352513532 /nfs/dbraw/zinc/51/35/32/352513532.db2.gz DFNFMBFURGJEJU-LLVKDONJSA-N 2 0 249.314 0.844 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccn(C)n1 ZINC000355060383 187744613 /nfs/dbraw/zinc/74/46/13/187744613.db2.gz ODUQRIHSUKHRRV-AAEUAGOBSA-N 2 0 236.363 0.892 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040670651 352603942 /nfs/dbraw/zinc/60/39/42/352603942.db2.gz UFAYGOWCKXXSTQ-MDZLAQPJSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000040807276 352604539 /nfs/dbraw/zinc/60/45/39/352604539.db2.gz ONSMXSGONYBGCX-LBPRGKRZSA-N 2 0 229.368 0.960 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)[C@H](C)C[NH3+])CC1 ZINC000044807939 352657345 /nfs/dbraw/zinc/65/73/45/352657345.db2.gz ZSHQYFRYKZTBJE-SNVBAGLBSA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC000041679554 187803904 /nfs/dbraw/zinc/80/39/04/187803904.db2.gz VNEFIDJBSSLNBM-JTQLQIEISA-N 2 0 215.341 0.428 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638766473 352703441 /nfs/dbraw/zinc/70/34/41/352703441.db2.gz YGDLMZXCQXLQTO-HBNTYKKESA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638766523 352703904 /nfs/dbraw/zinc/70/39/04/352703904.db2.gz UDXZYSISWCGBOQ-GARJFASQSA-N 2 0 225.336 0.195 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638768353 352706105 /nfs/dbraw/zinc/70/61/05/352706105.db2.gz WVLYWYNEQAQBEW-UHTWSYAYSA-N 2 0 247.342 0.861 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638768370 352706159 /nfs/dbraw/zinc/70/61/59/352706159.db2.gz XLGXIDXSXOYWGA-IVZWLZJFSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000638766937 352706830 /nfs/dbraw/zinc/70/68/30/352706830.db2.gz DUSQUVGAOZZLGJ-JOYOIKCWSA-N 2 0 244.298 0.815 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000638768001 352708957 /nfs/dbraw/zinc/70/89/57/352708957.db2.gz PBEDYYRVCWSTAD-WCFLWFBJSA-N 2 0 247.342 0.943 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000638767986 352709031 /nfs/dbraw/zinc/70/90/31/352709031.db2.gz ONYKESGEMMNQNY-CMPLNLGQSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000638772829 352715455 /nfs/dbraw/zinc/71/54/55/352715455.db2.gz JBKZXHOCXNCYIC-GMNPVEAJSA-N 2 0 237.347 0.384 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000638772831 352715460 /nfs/dbraw/zinc/71/54/60/352715460.db2.gz JBKZXHOCXNCYIC-JTLRNRKASA-N 2 0 237.347 0.384 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000638774198 352716304 /nfs/dbraw/zinc/71/63/04/352716304.db2.gz XRYIBOKYHPHIJS-CYZMBNFOSA-N 2 0 247.342 0.596 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638775321 352722303 /nfs/dbraw/zinc/72/23/03/352722303.db2.gz BQZNLZWULJLILG-WISYIIOYSA-N 2 0 239.363 0.726 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)CC[NH2+]C ZINC000336745868 352735507 /nfs/dbraw/zinc/73/55/07/352735507.db2.gz BMTIMRRXIVYBOQ-VIFPVBQESA-N 2 0 201.314 0.230 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364573773 187829015 /nfs/dbraw/zinc/82/90/15/187829015.db2.gz CLDCGRHZFMELBZ-NQBHXWOUSA-N 2 0 239.363 0.476 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000334205292 352800230 /nfs/dbraw/zinc/80/02/30/352800230.db2.gz UHLIAVLCBUXBHX-PHIMTYICSA-N 2 0 239.363 0.429 20 0 BCADRP CCC[C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000422804706 192474855 /nfs/dbraw/zinc/47/48/55/192474855.db2.gz KXZXPJHMEDRFNC-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000493816377 229666142 /nfs/dbraw/zinc/66/61/42/229666142.db2.gz IZVNNTQUVJZRJJ-XWLWVQCSSA-N 2 0 227.352 0.698 20 0 BCADRP C[C@H]1CCN(C(=O)C2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000334264509 352898638 /nfs/dbraw/zinc/89/86/38/352898638.db2.gz LBBAFDSFOKDKTP-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)NCC[NH2+]C2CC2)C[NH2+]1 ZINC000627068960 363200413 /nfs/dbraw/zinc/20/04/13/363200413.db2.gz NYBRSJBDJYWJGZ-KOLCDFICSA-N 2 0 240.351 0.178 20 0 BCADRP CCN1C[C@H]([NH2+]CCCOCCOC)[C@@H](C)C1 ZINC000343034147 352941094 /nfs/dbraw/zinc/94/10/94/352941094.db2.gz MRECMVQUTWSRSO-STQMWFEESA-N 2 0 244.379 0.969 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000638853478 353024594 /nfs/dbraw/zinc/02/45/94/353024594.db2.gz HEFSDMWIZZIDAE-ZYHUDNBSSA-N 2 0 239.363 0.537 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N2CCCCC[C@@H]([NH3+])C2)C1 ZINC000638814860 352995283 /nfs/dbraw/zinc/99/52/83/352995283.db2.gz IWPQSJYGQXMOEP-NWDGAFQWSA-N 2 0 237.347 0.764 20 0 BCADRP [NH3+][C@H](C(=O)N1CCCCC[C@H]([NH3+])C1)C1CCC1 ZINC000638816522 352997180 /nfs/dbraw/zinc/99/71/80/352997180.db2.gz NRRXDZUJWJNEIA-RYUDHWBXSA-N 2 0 239.363 0.844 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000638816244 352997277 /nfs/dbraw/zinc/99/72/77/352997277.db2.gz MEZHBPUPGUSYHQ-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000638819618 352999515 /nfs/dbraw/zinc/99/95/15/352999515.db2.gz LOAMJACIRPFZRX-VXGBXAGGSA-N 2 0 239.363 0.716 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638819292 352999703 /nfs/dbraw/zinc/99/97/03/352999703.db2.gz ISQNIKNUDMMQIV-WDEREUQCSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638820229 353000138 /nfs/dbraw/zinc/00/01/38/353000138.db2.gz SWFQCCNHEBTSFH-QWRGUYRKSA-N 2 0 227.352 0.844 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638820114 353000561 /nfs/dbraw/zinc/00/05/61/353000561.db2.gz QNJGMTAXGCZBKR-VHSXEESVSA-N 2 0 213.325 0.311 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000638820023 353000608 /nfs/dbraw/zinc/00/06/08/353000608.db2.gz OVJSNWQBPSBTCV-NNYUYHANSA-N 2 0 237.347 0.182 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638822326 353003729 /nfs/dbraw/zinc/00/37/29/353003729.db2.gz ISQNIKNUDMMQIV-QWRGUYRKSA-N 2 0 227.352 0.700 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cnccc1N ZINC000629531121 538107749 /nfs/dbraw/zinc/10/77/49/538107749.db2.gz ARXQXHSNEAUWAQ-SNVBAGLBSA-N 2 0 238.335 0.381 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913653 353072127 /nfs/dbraw/zinc/07/21/27/353072127.db2.gz BADWNXUPZHMXMS-BJDJZHNGSA-N 2 0 237.347 0.432 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[NH+](C)C ZINC000638914215 353072752 /nfs/dbraw/zinc/07/27/52/353072752.db2.gz PDAAGUGGAGHVKH-DCAQKATOSA-N 2 0 225.336 0.145 20 0 BCADRP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000638915269 353074291 /nfs/dbraw/zinc/07/42/91/353074291.db2.gz KKYNJDPQHMULIC-RYUDHWBXSA-N 2 0 237.347 0.291 20 0 BCADRP [NH3+]CCc1ccccc1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915813 353074665 /nfs/dbraw/zinc/07/46/65/353074665.db2.gz WYISGPMDBWDZTP-RYUDHWBXSA-N 2 0 245.326 0.374 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638911131 353075566 /nfs/dbraw/zinc/07/55/66/353075566.db2.gz ZKPPPJGQJRBKIC-QXEWZRGKSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638882725 353048602 /nfs/dbraw/zinc/04/86/02/353048602.db2.gz ZVDZPCDYFAGHPE-WCQYABFASA-N 2 0 249.358 0.658 20 0 BCADRP [NH3+][C@H](CCNC(=O)[C@H]1CC[NH2+]1)Cc1ccccc1 ZINC000638881873 353049026 /nfs/dbraw/zinc/04/90/26/353049026.db2.gz VGTSWORIDRMSII-CHWSQXEVSA-N 2 0 247.342 0.425 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638937266 353111462 /nfs/dbraw/zinc/11/14/62/353111462.db2.gz SHYVGPAALKXSPL-VHSXEESVSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCC1CC[NH2+]CC1 ZINC000638937263 353111677 /nfs/dbraw/zinc/11/16/77/353111677.db2.gz SHVRWIPBHMQOFF-ZYHUDNBSSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919972 353078084 /nfs/dbraw/zinc/07/80/84/353078084.db2.gz WROKDWFMDKELAH-KXUCPTDWSA-N 2 0 225.336 0.323 20 0 BCADRP O=C(CC[C@H]1CCC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917127 353080738 /nfs/dbraw/zinc/08/07/38/353080738.db2.gz LUSWDOLCCZGJQR-WOPDTQHZSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638918183 353082541 /nfs/dbraw/zinc/08/25/41/353082541.db2.gz ZIDAEJWUIGYRJR-XWLWVQCSSA-N 2 0 223.320 0.077 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926243 353086590 /nfs/dbraw/zinc/08/65/90/353086590.db2.gz XKQKHJPARZXWPT-LPEHRKFASA-N 2 0 211.309 0.077 20 0 BCADRP O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926542 353086672 /nfs/dbraw/zinc/08/66/72/353086672.db2.gz ISKLPLHLZRAHOZ-QNWHQSFQSA-N 2 0 249.358 0.480 20 0 BCADRP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000638926666 353087280 /nfs/dbraw/zinc/08/72/80/353087280.db2.gz KEJRXUWZZWVSQC-AXFHLTTASA-N 2 0 225.336 0.289 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627072128 363202974 /nfs/dbraw/zinc/20/29/74/363202974.db2.gz OVFIOJIHNHUYHO-JTQLQIEISA-N 2 0 240.351 0.180 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C[NH+]1CCC(C)CC1 ZINC000638930938 353092095 /nfs/dbraw/zinc/09/20/95/353092095.db2.gz ISMCOZXTWFBMMP-NWDGAFQWSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000638931450 353092523 /nfs/dbraw/zinc/09/25/23/353092523.db2.gz LZORLPXTNMHKDR-GXSJLCMTSA-N 2 0 244.298 0.896 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000638931520 353092670 /nfs/dbraw/zinc/09/26/70/353092670.db2.gz PVKQKGIXOVAUFU-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000638931998 353093882 /nfs/dbraw/zinc/09/38/82/353093882.db2.gz UBIAEELIFUUUJE-XWLWVQCSSA-N 2 0 225.336 0.452 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638933125 353094868 /nfs/dbraw/zinc/09/48/68/353094868.db2.gz WUGHWCKJQXUSDJ-GARJFASQSA-N 2 0 241.379 0.959 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638942826 353139523 /nfs/dbraw/zinc/13/95/23/353139523.db2.gz LVKLESJCJSVOIV-GUBZILKMSA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+]CCOCC[NH+]1CCC(n2ccnc2)CC1 ZINC000357091718 188066216 /nfs/dbraw/zinc/06/62/16/188066216.db2.gz WJKQMIHCHXSBIQ-UHFFFAOYSA-N 2 0 238.335 0.495 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CC1CC[NH2+]CC1 ZINC000638945855 353147483 /nfs/dbraw/zinc/14/74/83/353147483.db2.gz IYCASTUGTPQTKL-KOLCDFICSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368368344 188072405 /nfs/dbraw/zinc/07/24/05/188072405.db2.gz BRKMBACWOUBSHA-GMTAPVOTSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000368004050 188072924 /nfs/dbraw/zinc/07/29/24/188072924.db2.gz BGBHIFUYWGKXGI-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000368562659 188074008 /nfs/dbraw/zinc/07/40/08/188074008.db2.gz QHLBNSFNUVHUQW-ZDUSSCGKSA-N 2 0 239.363 0.716 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000376384111 188077451 /nfs/dbraw/zinc/07/74/51/188077451.db2.gz IUIVTQMBUFMHDV-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638950654 353153847 /nfs/dbraw/zinc/15/38/47/353153847.db2.gz LGJSOPUIJRKOOO-DCAQKATOSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638966643 353175009 /nfs/dbraw/zinc/17/50/09/353175009.db2.gz HSNPORLNBOOXRA-MGCOHNPYSA-N 2 0 213.325 0.230 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186718663 188100978 /nfs/dbraw/zinc/10/09/78/188100978.db2.gz WNMHTWXDLAOTFN-VWYCJHECSA-N 2 0 227.352 0.474 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H](C)C[NH3+] ZINC000336757736 353164659 /nfs/dbraw/zinc/16/46/59/353164659.db2.gz KFWHVLTYBYABMA-BDAKNGLRSA-N 2 0 201.314 0.215 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)[NH+](C)C ZINC000638981850 353196023 /nfs/dbraw/zinc/19/60/23/353196023.db2.gz IVSGOLRULMGXGF-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217805781 535207321 /nfs/dbraw/zinc/20/73/21/535207321.db2.gz ZAMSGQAZDDQKKC-SDDRHHMPSA-N 2 0 239.363 0.713 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000044538753 188123445 /nfs/dbraw/zinc/12/34/45/188123445.db2.gz XLJGAGCAHJFARF-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987083 353216330 /nfs/dbraw/zinc/21/63/30/353216330.db2.gz KMJQTIKFWDVGAE-UHFFFAOYSA-N 2 0 220.276 0.450 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@H]1C ZINC000309429156 188135195 /nfs/dbraw/zinc/13/51/95/188135195.db2.gz YXPYYGHULUZARI-ZJUUUORDSA-N 2 0 213.325 0.038 20 0 BCADRP [NH3+]CC1(NC(=O)[C@H]2CC[NH2+]2)CCCCC1 ZINC000638996591 353232768 /nfs/dbraw/zinc/23/27/68/353232768.db2.gz KYYZUCQWMSASAS-SECBINFHSA-N 2 0 211.309 0.126 20 0 BCADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000037649597 188153002 /nfs/dbraw/zinc/15/30/02/188153002.db2.gz JHPZQRJXYCGVEL-CMPLNLGQSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000336687825 188165379 /nfs/dbraw/zinc/16/53/79/188165379.db2.gz VGEYMCOEIOKTMF-ZJUUUORDSA-N 2 0 213.325 0.086 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000236616529 188148414 /nfs/dbraw/zinc/14/84/14/188148414.db2.gz XPTNBCJVRVRHJM-VWYCJHECSA-N 2 0 239.363 0.761 20 0 BCADRP CC(C)C[C@@H](CNC(=O)[C@@H](C)[NH3+])[NH+](C)C ZINC000040831277 188148633 /nfs/dbraw/zinc/14/86/33/188148633.db2.gz MRYHWMRBNKOEGZ-ZJUUUORDSA-N 2 0 215.341 0.426 20 0 BCADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[NH+](C)C ZINC000365504777 188180555 /nfs/dbraw/zinc/18/05/55/188180555.db2.gz CGBUAJZVWRSNII-TUAOUCFPSA-N 2 0 239.363 0.347 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC1(C[NH3+])CCCCC1 ZINC000638996161 353239810 /nfs/dbraw/zinc/23/98/10/353239810.db2.gz ATYJDKOWAYDUHT-SECBINFHSA-N 2 0 213.325 0.502 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NC1(C[NH3+])CCCCC1 ZINC000638996970 353243062 /nfs/dbraw/zinc/24/30/62/353243062.db2.gz SFYWVSHAFKWXAY-VHSXEESVSA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)[C@H]1CN(C(=O)CC2([NH3+])CC2)CC[N@@H+]1C ZINC000639018540 353274509 /nfs/dbraw/zinc/27/45/09/353274509.db2.gz NDYKFKSWUYBOPU-LLVKDONJSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000639019000 353275281 /nfs/dbraw/zinc/27/52/81/353275281.db2.gz AZVIYNUVOGSASP-FIQHERPVSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000131889576 188222242 /nfs/dbraw/zinc/22/22/42/188222242.db2.gz BNAPEJQZMBCCDA-GHMZBOCLSA-N 2 0 227.352 0.476 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000639019480 353275930 /nfs/dbraw/zinc/27/59/30/353275930.db2.gz AZVIYNUVOGSASP-YFKTTZPYSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)[C@H](C)NC(=O)CN1C[C@H](C[NH3+])C[C@H]1C ZINC000131790730 188221966 /nfs/dbraw/zinc/22/19/66/188221966.db2.gz ZPKKIYLHSNPHGK-WOPDTQHZSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639021766 353280284 /nfs/dbraw/zinc/28/02/84/353280284.db2.gz IXFWROWVOJYZIE-DCAQKATOSA-N 2 0 227.352 0.746 20 0 BCADRP CC(C)([NH3+])C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000336374993 188229488 /nfs/dbraw/zinc/22/94/88/188229488.db2.gz KZLRZZUSWDROLT-SECBINFHSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639023188 353281941 /nfs/dbraw/zinc/28/19/41/353281941.db2.gz KOCMEXNQNMCPSX-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639023235 353282416 /nfs/dbraw/zinc/28/24/16/353282416.db2.gz VYBZEIMDALBZKD-KYZUINATSA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@@H]([NH3+])CC1 ZINC000639029586 353296069 /nfs/dbraw/zinc/29/60/69/353296069.db2.gz IUJJRKYREVEKCY-XWLWVQCSSA-N 2 0 225.336 0.500 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000577858871 366087062 /nfs/dbraw/zinc/08/70/62/366087062.db2.gz AZNBIYRNKHBREZ-UWVGGRQHSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251819488 353292607 /nfs/dbraw/zinc/29/26/07/353292607.db2.gz OWWCSQBRLBTKBL-MXWKQRLJSA-N 2 0 225.336 0.419 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639031008 353298557 /nfs/dbraw/zinc/29/85/57/353298557.db2.gz NLVFJQSAWCSDQC-FIQHERPVSA-N 2 0 239.363 0.761 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639031009 353298625 /nfs/dbraw/zinc/29/86/25/353298625.db2.gz NLVFJQSAWCSDQC-KKOKHZNYSA-N 2 0 239.363 0.761 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000639032212 353302220 /nfs/dbraw/zinc/30/22/20/353302220.db2.gz NJXCARNKRUHXEW-SRVKXCTJSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)CC[NH2+]C2CC2)CC1 ZINC000639030627 353303029 /nfs/dbraw/zinc/30/30/29/353303029.db2.gz BHXRTRKGQRSHRD-HOMQSWHASA-N 2 0 225.336 0.515 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)[NH+](C)C ZINC000639030696 353303107 /nfs/dbraw/zinc/30/31/07/353303107.db2.gz VDCRIBFIBWSSND-GMTAPVOTSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000627075877 363216009 /nfs/dbraw/zinc/21/60/09/363216009.db2.gz PJYYPSXKHFHRMO-OUAUKWLOSA-N 2 0 240.351 0.178 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000253232418 353327428 /nfs/dbraw/zinc/32/74/28/353327428.db2.gz FERDSJRTCNHISX-NAKRPEOUSA-N 2 0 227.352 0.474 20 0 BCADRP c1cn(CCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000085283257 538116128 /nfs/dbraw/zinc/11/61/28/538116128.db2.gz FZNNXRSMZWIPIG-RYUDHWBXSA-N 2 0 220.320 0.424 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000627077424 363218775 /nfs/dbraw/zinc/21/87/75/363218775.db2.gz BYHCPHGGBKZIDM-GHMZBOCLSA-N 2 0 242.367 0.494 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627077255 363219273 /nfs/dbraw/zinc/21/92/73/363219273.db2.gz YHWQRATXXWJATN-OUAUKWLOSA-N 2 0 242.367 0.409 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC(C)(C)[NH3+] ZINC000627078080 363220209 /nfs/dbraw/zinc/22/02/09/363220209.db2.gz IKKZSFSYPYIHED-DTWKUNHWSA-N 2 0 228.340 0.163 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]2)c2ccccc21 ZINC000639067687 353382129 /nfs/dbraw/zinc/38/21/29/353382129.db2.gz LEQLDTJLMHBYKF-CMPLNLGQSA-N 2 0 245.326 0.828 20 0 BCADRP [NH3+]CCC(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639071463 353386827 /nfs/dbraw/zinc/38/68/27/353386827.db2.gz KMGBQFOESBXBDR-SNVBAGLBSA-N 2 0 233.315 0.814 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N(CC)CC[NH3+] ZINC000627079776 363224823 /nfs/dbraw/zinc/22/48/23/363224823.db2.gz KMEREVWEAWYBNV-SNVBAGLBSA-N 2 0 230.356 0.494 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627079845 363224989 /nfs/dbraw/zinc/22/49/89/363224989.db2.gz GDDRGVRTCZAFKQ-GARJFASQSA-N 2 0 242.367 0.409 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H](C[NH3+])CC(C)C ZINC000627080669 363224993 /nfs/dbraw/zinc/22/49/93/363224993.db2.gz NRRCWFOXWYBJGO-JTQLQIEISA-N 2 0 230.356 0.350 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000165687897 353452907 /nfs/dbraw/zinc/45/29/07/353452907.db2.gz CBQHFVYONRBHMQ-RYUDHWBXSA-N 2 0 239.363 0.811 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)CC[NH3+] ZINC000627083912 363233937 /nfs/dbraw/zinc/23/39/37/363233937.db2.gz XVBDUSWBTFKWMV-KXUCPTDWSA-N 2 0 228.340 0.163 20 0 BCADRP COCC[N@H+](C)CCCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000192098195 353541670 /nfs/dbraw/zinc/54/16/70/353541670.db2.gz CUTHTIWRNSBMQE-MNOVXSKESA-N 2 0 245.367 0.054 20 0 BCADRP CC1(C)CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000063067298 353582829 /nfs/dbraw/zinc/58/28/29/353582829.db2.gz VMLVDJOIQDRRKL-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373052892 188430575 /nfs/dbraw/zinc/43/05/75/188430575.db2.gz DGAICUFEZGBEQA-GARJFASQSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000193593360 353602030 /nfs/dbraw/zinc/60/20/30/353602030.db2.gz GLAZHERFFHNEFP-JQWIXIFHSA-N 2 0 239.363 0.585 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000627090169 363243210 /nfs/dbraw/zinc/24/32/10/363243210.db2.gz RMFOIRZPYSAMCO-NSHDSACASA-N 2 0 242.367 0.494 20 0 BCADRP CCN(CC[NH3+])C(=O)NCCC1=CC[NH2+]CC1 ZINC000627090631 363243267 /nfs/dbraw/zinc/24/32/67/363243267.db2.gz XPONVXOVAWDKIM-UHFFFAOYSA-N 2 0 240.351 0.286 20 0 BCADRP CC(C)(O)C[NH+]1CCC([NH2+]CCCCO)CC1 ZINC000639109972 353674216 /nfs/dbraw/zinc/67/42/16/353674216.db2.gz DOXMQOTYJLHUTD-UHFFFAOYSA-N 2 0 244.379 0.584 20 0 BCADRP CO[C@@H](C[NH3+])CC(=O)Nc1ccnc(C)c1 ZINC000232122423 353691053 /nfs/dbraw/zinc/69/10/53/353691053.db2.gz HGQVUHHPLLZLSE-SNVBAGLBSA-N 2 0 223.276 0.692 20 0 BCADRP CO[C@@]1(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCOC1 ZINC000639113705 353706948 /nfs/dbraw/zinc/70/69/48/353706948.db2.gz SFQOROPIYDSMST-FRRDWIJNSA-N 2 0 240.347 0.285 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627096623 363253197 /nfs/dbraw/zinc/25/31/97/363253197.db2.gz XOMTWNXGWGGRJW-LPEHRKFASA-N 2 0 228.340 0.163 20 0 BCADRP [NH3+]C/C=C\CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627093450 363248942 /nfs/dbraw/zinc/24/89/42/363248942.db2.gz KZXGIHVHSBHYKS-JWXWKVPASA-N 2 0 238.335 0.085 20 0 BCADRP [NH3+]C/C=C/CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627093452 363249261 /nfs/dbraw/zinc/24/92/61/363249261.db2.gz KZXGIHVHSBHYKS-TXXBHVLJSA-N 2 0 238.335 0.085 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627097543 363258585 /nfs/dbraw/zinc/25/85/85/363258585.db2.gz JRUCSVNRTSJQQG-NXEZZACHSA-N 2 0 240.351 0.308 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1c[nH]cn1 ZINC000353811797 353741967 /nfs/dbraw/zinc/74/19/67/353741967.db2.gz FBUDNHAGPKEZOS-QWRGUYRKSA-N 2 0 236.319 0.660 20 0 BCADRP CC[C@H](C(=O)NCC1=CC[N@H+](C)CC1)[NH+](C)C ZINC000343331862 353744690 /nfs/dbraw/zinc/74/46/90/353744690.db2.gz FTLQRUWYIWZYAS-GFCCVEGCSA-N 2 0 239.363 0.705 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[NH2+]C[C@H]1C ZINC000262056931 535247575 /nfs/dbraw/zinc/24/75/75/535247575.db2.gz XMXHADZKHKFJOV-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000233427196 353818746 /nfs/dbraw/zinc/81/87/46/353818746.db2.gz PRPYOHHASBFSJI-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1C[C@H](O)C[NH+]1CCC[N@H+]1C[C@H](O)C[C@@H]1C ZINC000343454331 353894409 /nfs/dbraw/zinc/89/44/09/353894409.db2.gz UKCVONJLOHOZQH-FNFFVJSTSA-N 2 0 242.363 0.287 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627106899 363265844 /nfs/dbraw/zinc/26/58/44/363265844.db2.gz MVJRNCWUAJMSDX-XFWSIPNHSA-N 2 0 228.340 0.162 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000343481401 353904694 /nfs/dbraw/zinc/90/46/94/353904694.db2.gz SHYAQUHWOJKWNN-QJPTWQEYSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000343587735 353941061 /nfs/dbraw/zinc/94/10/61/353941061.db2.gz DQTONIZYRCUWTG-KXUCPTDWSA-N 2 0 243.376 0.030 20 0 BCADRP COCC[C@H](CO)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000343589340 353941072 /nfs/dbraw/zinc/94/10/72/353941072.db2.gz GOBVCGSQBKDSFO-WZRBSPASSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000343587721 353941125 /nfs/dbraw/zinc/94/11/25/353941125.db2.gz DQTONIZYRCUWTG-BBBLOLIVSA-N 2 0 243.376 0.030 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000343660215 353943086 /nfs/dbraw/zinc/94/30/86/353943086.db2.gz LWIZWXRTVUGVAI-SCVCMEIPSA-N 2 0 225.336 0.324 20 0 BCADRP CO[C@@H]1CC[NH+](CCC[N@H+]2CC[C@@H](OC)C2)C1 ZINC000343746570 353971023 /nfs/dbraw/zinc/97/10/23/353971023.db2.gz TUMXYZSLVHMPOV-CHWSQXEVSA-N 2 0 242.363 0.818 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000343644696 353951929 /nfs/dbraw/zinc/95/19/29/353951929.db2.gz CXALTHLZFISFQA-GWOFURMSSA-N 2 0 225.336 0.323 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000343644720 353952040 /nfs/dbraw/zinc/95/20/40/353952040.db2.gz DDHFQYCWCZFEDC-UWVGGRQHSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CC1CC[NH2+]CC1 ZINC000343642502 353952118 /nfs/dbraw/zinc/95/21/18/353952118.db2.gz OXLFBGYEUTUOIP-ONGXEEELSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000343645938 353952503 /nfs/dbraw/zinc/95/25/03/353952503.db2.gz RUVVOFTUHHBZGF-SCVCMEIPSA-N 2 0 225.336 0.467 20 0 BCADRP C[NH+](C)CC(=O)NC1(C[NH+](C)C)CCC1 ZINC000343814130 354012396 /nfs/dbraw/zinc/01/23/96/354012396.db2.gz IHYQOFXHRFDUJC-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP CC[C@]1(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CCC[NH2+]1 ZINC000343781053 354017554 /nfs/dbraw/zinc/01/75/54/354017554.db2.gz AESUMEBUEQFMSF-NQBHXWOUSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627121120 363288436 /nfs/dbraw/zinc/28/84/36/363288436.db2.gz WAXXIVPUSZXKTB-GUBZILKMSA-N 2 0 228.340 0.034 20 0 BCADRP CO[C@H](C[N@H+](C)CCC[NH+](C)C)[C@H]1CCOC1 ZINC000639167742 354039501 /nfs/dbraw/zinc/03/95/01/354039501.db2.gz KQQZVOFRDRXVPE-QWHCGFSZSA-N 2 0 244.379 0.921 20 0 BCADRP COC[C@@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344044225 354110528 /nfs/dbraw/zinc/11/05/28/354110528.db2.gz JBWVHANGBUWTGB-CYBMUJFWSA-N 2 0 245.411 0.837 20 0 BCADRP C[NH+]1CCC(C(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000344005807 354112260 /nfs/dbraw/zinc/11/22/60/354112260.db2.gz DSJBJUPNYKGSOC-UHFFFAOYSA-N 2 0 239.363 0.492 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449668848 202000442 /nfs/dbraw/zinc/00/04/42/202000442.db2.gz USIRTMIPCSVCRE-BDAKNGLRSA-N 2 0 249.305 0.488 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449668100 202000808 /nfs/dbraw/zinc/00/08/08/202000808.db2.gz SJYLOSAFWNOZII-APPZFPTMSA-N 2 0 247.289 0.240 20 0 BCADRP CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1(C[NH3+])CCC1 ZINC000449681997 202001884 /nfs/dbraw/zinc/00/18/84/202001884.db2.gz FONZBJKFKRDVBQ-GHMZBOCLSA-N 2 0 239.363 0.701 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449733760 202012297 /nfs/dbraw/zinc/01/22/97/202012297.db2.gz JQLVBBMQMHCERT-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000334581135 354199157 /nfs/dbraw/zinc/19/91/57/354199157.db2.gz LXYXRPLUQMIVPS-RKDXNWHRSA-N 2 0 247.289 0.242 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000334583862 354205429 /nfs/dbraw/zinc/20/54/29/354205429.db2.gz SOEMOJRDHJFJNP-DTWKUNHWSA-N 2 0 247.289 0.242 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000178681403 366153781 /nfs/dbraw/zinc/15/37/81/366153781.db2.gz DKVHRGAGZQGGFC-QWRGUYRKSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000578014496 366181012 /nfs/dbraw/zinc/18/10/12/366181012.db2.gz OOLWAVXOQFJDDX-MNOVXSKESA-N 2 0 249.358 0.914 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000178945567 366187252 /nfs/dbraw/zinc/18/72/52/366187252.db2.gz HVILLWBBZPYXTD-QJPTWQEYSA-N 2 0 239.363 0.620 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000334659848 354456726 /nfs/dbraw/zinc/45/67/26/354456726.db2.gz GYBBYKXWUOORMM-NXEZZACHSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+][C@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)C1CCC1 ZINC000334660078 354458325 /nfs/dbraw/zinc/45/83/25/354458325.db2.gz FCESAQKMIATZGA-IUCAKERBSA-N 2 0 247.289 0.227 20 0 BCADRP [NH3+][C@@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)C1CCC1 ZINC000334660076 354458353 /nfs/dbraw/zinc/45/83/53/354458353.db2.gz FCESAQKMIATZGA-DTWKUNHWSA-N 2 0 247.289 0.227 20 0 BCADRP CN(C(=O)C[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]CC1 ZINC000334663154 354463408 /nfs/dbraw/zinc/46/34/08/354463408.db2.gz AIEPNTIUELRACW-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@]1(F)CNCCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000334663876 354464347 /nfs/dbraw/zinc/46/43/47/354464347.db2.gz YLKHATNZXGQCCE-PWSUYJOCSA-N 2 0 243.326 0.274 20 0 BCADRP CC(C)N1CCC[C@H]([N@@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000334802074 354558028 /nfs/dbraw/zinc/55/80/28/354558028.db2.gz XADLOOZFSZESLK-NEPJUHHUSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000345690170 354732650 /nfs/dbraw/zinc/73/26/50/354732650.db2.gz KEKQNYGRWTYHNR-WCQYABFASA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000345722788 354743968 /nfs/dbraw/zinc/74/39/68/354743968.db2.gz ROIDKZPGHMOIEW-JBLDHEPKSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCC[NH3+] ZINC000166028441 354829114 /nfs/dbraw/zinc/82/91/14/354829114.db2.gz HDYMTIVZIOGJAC-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000627158744 363398352 /nfs/dbraw/zinc/39/83/52/363398352.db2.gz CVPRQYMIOLWWTL-GARJFASQSA-N 2 0 240.351 0.117 20 0 BCADRP CC[C@H](C(=O)NCCOCC[NH+](C)C)[NH+](C)C ZINC000346004738 354837800 /nfs/dbraw/zinc/83/78/00/354837800.db2.gz LGFNSHYBJQSJJD-LLVKDONJSA-N 2 0 245.367 0.021 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449749302 202020645 /nfs/dbraw/zinc/02/06/45/202020645.db2.gz FJCIGQHNPIEZGN-VHSXEESVSA-N 2 0 227.352 0.631 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335147559 354860960 /nfs/dbraw/zinc/86/09/60/354860960.db2.gz KJRRPVRDHRZTGQ-PWSUYJOCSA-N 2 0 225.336 0.183 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449750570 202021305 /nfs/dbraw/zinc/02/13/05/202021305.db2.gz VOHHKVRNVWUMHX-MNOVXSKESA-N 2 0 225.336 0.149 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000335185575 355083873 /nfs/dbraw/zinc/08/38/73/355083873.db2.gz BXYCOEDQMKZPBS-VXGBXAGGSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@H]1CN(CC(C)(C)[NH3+])CC[N@@H+]1CCOC ZINC000346816982 355122905 /nfs/dbraw/zinc/12/29/05/355122905.db2.gz BJYCYOKTDGETEA-LBPRGKRZSA-N 2 0 243.395 0.766 20 0 BCADRP CC[N@H+](CCn1cncn1)[C@@H]1CCC[NH2+]CC1 ZINC000435629755 191324573 /nfs/dbraw/zinc/32/45/73/191324573.db2.gz YDYLKPXMRPRRGT-GFCCVEGCSA-N 2 0 237.351 0.742 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[NH2+]C(C)(C)C1)[C@H](C)[NH3+] ZINC000335231301 355091746 /nfs/dbraw/zinc/09/17/46/355091746.db2.gz JBPAPPIPYILXPV-WDEREUQCSA-N 2 0 241.379 0.816 20 0 BCADRP c1ncn([C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000346825731 355126922 /nfs/dbraw/zinc/12/69/22/355126922.db2.gz LKDQNMDYZUSJGR-QWHCGFSZSA-N 2 0 249.362 0.915 20 0 BCADRP CC(C)([NH3+])CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000346969922 355174800 /nfs/dbraw/zinc/17/48/00/355174800.db2.gz GLWFDJAYNCMKLY-GFCCVEGCSA-N 2 0 241.379 0.378 20 0 BCADRP C[C@]1(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[NH2+]C1 ZINC000335241593 355176502 /nfs/dbraw/zinc/17/65/02/355176502.db2.gz TYKNJEGJTYVKOX-OLZOCXBDSA-N 2 0 239.363 0.492 20 0 BCADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H](C)[NH3+])c1 ZINC000335241919 355177353 /nfs/dbraw/zinc/17/73/53/355177353.db2.gz RGVKBJQJHFUCMD-MRVPVSSYSA-N 2 0 207.277 0.739 20 0 BCADRP C[N@H+](CCCO)C1CCN(CC(C)(C)[NH3+])CC1 ZINC000346982261 355184762 /nfs/dbraw/zinc/18/47/62/355184762.db2.gz NBTAQGKHICKQQP-UHFFFAOYSA-N 2 0 243.395 0.502 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000335255752 355187379 /nfs/dbraw/zinc/18/73/79/355187379.db2.gz GETQQZNWIDZURU-LLVKDONJSA-N 2 0 240.351 0.084 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000040503605 358494364 /nfs/dbraw/zinc/49/43/64/358494364.db2.gz GHTHKXZUQYQZOI-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)C(=O)NCC[N@H+](C)CC1CC[NH2+]CC1 ZINC000347006358 355202782 /nfs/dbraw/zinc/20/27/82/355202782.db2.gz PWFWEMNBONOPBT-UHFFFAOYSA-N 2 0 241.379 0.690 20 0 BCADRP C[NH2+]CC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000347605454 355232903 /nfs/dbraw/zinc/23/29/03/355232903.db2.gz AIODWEPKJWIEOA-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP CNC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113516239 355233676 /nfs/dbraw/zinc/23/36/76/355233676.db2.gz LSHJEPWZEVYLHD-JTQLQIEISA-N 2 0 213.325 0.006 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335281245 355270983 /nfs/dbraw/zinc/27/09/83/355270983.db2.gz NSQXXDGKZYKCEC-VXGBXAGGSA-N 3 0 211.353 0.846 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC000639259622 355309908 /nfs/dbraw/zinc/30/99/08/355309908.db2.gz BTANNCDYEMHTRC-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000166352764 355387462 /nfs/dbraw/zinc/38/74/62/355387462.db2.gz BGRRBABUWNUUHP-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1C[C@@H](O)C[N@@H+]1CCCc1cncn1C ZINC000314638143 355359305 /nfs/dbraw/zinc/35/93/05/355359305.db2.gz UNLTZQONBQVSLW-ZYHUDNBSSA-N 2 0 223.320 0.808 20 0 BCADRP C(C[NH+]1CCN(C2CC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000084385217 355360851 /nfs/dbraw/zinc/36/08/51/355360851.db2.gz WLCDPDZNURGOMQ-LBPRGKRZSA-N 2 0 223.364 0.766 20 0 BCADRP NC(=[NH2+])NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000356051200 181188891 /nfs/dbraw/zinc/18/88/91/181188891.db2.gz KCOGINFUVUYWJK-ZDUSSCGKSA-N 2 0 248.330 0.106 20 0 BCADRP Oc1cccc(C[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000414784424 191567849 /nfs/dbraw/zinc/56/78/49/191567849.db2.gz SGQPSWJIUYZXOY-UHFFFAOYSA-N 2 0 249.358 0.777 20 0 BCADRP CC[C@@H](C(=O)N[C@@H](C)CC[NH3+])[NH+](CC)CC ZINC000349967551 355546940 /nfs/dbraw/zinc/54/69/40/355546940.db2.gz UGJKGCJQWUQUDY-QWRGUYRKSA-N 2 0 229.368 0.960 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000349987622 355547291 /nfs/dbraw/zinc/54/72/91/355547291.db2.gz LUQLCDKQOBSGHI-SCVCMEIPSA-N 2 0 227.352 0.748 20 0 BCADRP [NH3+]CC1(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CCCC1 ZINC000335839345 355568892 /nfs/dbraw/zinc/56/88/92/355568892.db2.gz MFJFQCJFTCFEAY-CMPLNLGQSA-N 2 0 237.347 0.374 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000583563781 355614620 /nfs/dbraw/zinc/61/46/20/355614620.db2.gz ATBIWUYFPLIHKJ-CKYFFXLPSA-N 2 0 227.352 0.413 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000335895543 355690144 /nfs/dbraw/zinc/69/01/44/355690144.db2.gz WFIMPJBDTYJKCZ-TZMCWYRMSA-N 2 0 247.342 0.884 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH2+]C1CC1 ZINC000582190908 355699983 /nfs/dbraw/zinc/69/99/83/355699983.db2.gz IBKCAAZUVJTNFS-NSHDSACASA-N 2 0 225.336 0.339 20 0 BCADRP CCC[NH2+]CCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000417287362 191786164 /nfs/dbraw/zinc/78/61/64/191786164.db2.gz OOYSYEDEZJLXTM-LLVKDONJSA-N 2 0 242.367 0.379 20 0 BCADRP CC[NH+](CC)CCCNC(=O)N[C@H](C)CC[NH3+] ZINC000416825006 191762215 /nfs/dbraw/zinc/76/22/15/191762215.db2.gz YNKOREQXLZMJKC-LLVKDONJSA-N 2 0 244.383 0.755 20 0 BCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CN(C)C ZINC000336003231 134048004 /nfs/dbraw/zinc/04/80/04/134048004.db2.gz JJWBDPDEGAZBFO-NSHDSACASA-N 2 0 227.352 0.347 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)c2ccc(C[NH3+])o2)[C@H]1C ZINC000335894490 355688327 /nfs/dbraw/zinc/68/83/27/355688327.db2.gz JORDCQOUHKRTRC-IUCAKERBSA-N 2 0 237.303 0.561 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)C2(C)C[NH2+]C2)C1 ZINC000399146681 355768175 /nfs/dbraw/zinc/76/81/75/355768175.db2.gz FABGSVIRLACLBH-SNVBAGLBSA-N 2 0 225.336 0.054 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000417320444 191792283 /nfs/dbraw/zinc/79/22/83/191792283.db2.gz QBXXNKLIWFFKBO-QWRGUYRKSA-N 2 0 242.367 0.378 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@H](C)CC[NH+](C)C ZINC000417321582 191792285 /nfs/dbraw/zinc/79/22/85/191792285.db2.gz TVFYTHPNIYYKGZ-GHMZBOCLSA-N 2 0 244.383 0.609 20 0 BCADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000166814384 355851215 /nfs/dbraw/zinc/85/12/15/355851215.db2.gz ZQEHKRIHNVRDCK-UTUOFQBUSA-N 2 0 230.352 0.456 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000583614170 355831172 /nfs/dbraw/zinc/83/11/72/355831172.db2.gz FSNKGGYUUKWPOZ-AEJSXWLSSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)CC[NH3+])C[C@H]1C[NH3+] ZINC000583632270 355941685 /nfs/dbraw/zinc/94/16/85/355941685.db2.gz TZQNYWFXALKEKD-OPRDCNLKSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000417824981 191931380 /nfs/dbraw/zinc/93/13/80/191931380.db2.gz ATIDGTHSHAOJSO-BJDJZHNGSA-N 2 0 239.363 0.842 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000417824984 191931445 /nfs/dbraw/zinc/93/14/45/191931445.db2.gz ATIDGTHSHAOJSO-WHOHXGKFSA-N 2 0 239.363 0.842 20 0 BCADRP CCn1c(C)nnc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351480230 355996736 /nfs/dbraw/zinc/99/67/36/355996736.db2.gz UVXFOPNEAGBZSP-SDDRHHMPSA-N 2 0 249.362 0.776 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417841149 191935537 /nfs/dbraw/zinc/93/55/37/191935537.db2.gz SOAXNGSRMOLZGA-VXGBXAGGSA-N 2 0 241.379 0.851 20 0 BCADRP C[C@H](NC(=O)NCCC[NH3+])C(C)(C)C[NH+](C)C ZINC000417859083 191936138 /nfs/dbraw/zinc/93/61/38/191936138.db2.gz QRTWODJCKTTXSX-JTQLQIEISA-N 2 0 244.383 0.611 20 0 BCADRP C[C@@H](NC(=O)NCC[NH3+])C(C)(C)C[NH+](C)C ZINC000417851824 191936541 /nfs/dbraw/zinc/93/65/41/191936541.db2.gz GRMATFYUMXZWMI-SECBINFHSA-N 2 0 230.356 0.221 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192126836 355958153 /nfs/dbraw/zinc/95/81/53/355958153.db2.gz JZLFCPJCAZRTQR-DTWKUNHWSA-N 2 0 201.314 0.086 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)C[NH2+]C ZINC000167197316 355968694 /nfs/dbraw/zinc/96/86/94/355968694.db2.gz IRUVMRXNIVMREM-QWRGUYRKSA-N 2 0 229.368 0.688 20 0 BCADRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](C)C1 ZINC000617555108 356111403 /nfs/dbraw/zinc/11/14/03/356111403.db2.gz PZRFTTSESBFCKY-VXGBXAGGSA-N 2 0 239.363 0.633 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000335911680 356125119 /nfs/dbraw/zinc/12/51/19/356125119.db2.gz ZRNHNDKFZBFRSN-QWHCGFSZSA-N 3 0 223.364 0.670 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000351746865 356079168 /nfs/dbraw/zinc/07/91/68/356079168.db2.gz HWMLFGWYIYLFQT-SDDRHHMPSA-N 2 0 241.379 0.768 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351745964 356079441 /nfs/dbraw/zinc/07/94/41/356079441.db2.gz DESLHMPHWOMHPE-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351771644 356082964 /nfs/dbraw/zinc/08/29/64/356082964.db2.gz VTKWCRZHPKLIGK-VWYCJHECSA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351864949 356101861 /nfs/dbraw/zinc/10/18/61/356101861.db2.gz ZYPVSAMYOADBNI-SRVKXCTJSA-N 2 0 241.379 0.911 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H](C)[NH+](C)C ZINC000418254913 192005572 /nfs/dbraw/zinc/00/55/72/192005572.db2.gz LDVCVLCCQPHHAM-WDEREUQCSA-N 2 0 242.367 0.330 20 0 BCADRP C[C@@H](CNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C)[NH+](C)C ZINC000418248979 192006600 /nfs/dbraw/zinc/00/66/00/192006600.db2.gz FWDXHKAQXBUNSA-DCAQKATOSA-N 2 0 242.367 0.328 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCCC[NH3+] ZINC000418254396 192008372 /nfs/dbraw/zinc/00/83/72/192008372.db2.gz ZWSSOOVXDQATQL-LLVKDONJSA-N 2 0 244.383 0.753 20 0 BCADRP CC[C@@H](C(=O)N1CC[N@H+](C)CC[C@H]1C)[NH+](C)C ZINC000336084039 134076114 /nfs/dbraw/zinc/07/61/14/134076114.db2.gz VFEFSSXGSFJOIP-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP C[N@@H+]1CCC[C@@H](CCNC(=O)NCCC[NH3+])C1 ZINC000418297620 192019743 /nfs/dbraw/zinc/01/97/43/192019743.db2.gz UPOJANGDPAVZBN-NSHDSACASA-N 2 0 242.367 0.366 20 0 BCADRP C[N@@H+]1CCC[C@H](CCNC(=O)NCCC[NH3+])C1 ZINC000418297618 192020224 /nfs/dbraw/zinc/02/02/24/192020224.db2.gz UPOJANGDPAVZBN-LLVKDONJSA-N 2 0 242.367 0.366 20 0 BCADRP CCC[N@H+](CCO)CCc1cncn1C ZINC000639451126 356236461 /nfs/dbraw/zinc/23/64/61/356236461.db2.gz BPKFNLDGDONPRT-UHFFFAOYSA-N 2 0 211.309 0.667 20 0 BCADRP C[NH2+]CCCNC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000418306611 192021082 /nfs/dbraw/zinc/02/10/82/192021082.db2.gz KOMGZUURSWXACM-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH3+])C1 ZINC000418307622 192021460 /nfs/dbraw/zinc/02/14/60/192021460.db2.gz DPWXDYSWTQVBDG-LLVKDONJSA-N 2 0 242.367 0.459 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCC[NH2+]C)C1 ZINC000418313132 192021748 /nfs/dbraw/zinc/02/17/48/192021748.db2.gz BMAQRBIZJBBFRQ-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCC[NH3+] ZINC000418311525 192021796 /nfs/dbraw/zinc/02/17/96/192021796.db2.gz LZSIXHQODNHJNW-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP [NH3+]CCCNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418311562 192021958 /nfs/dbraw/zinc/02/19/58/192021958.db2.gz MHPMMMZJHSKZPX-XYPYZODXSA-N 2 0 242.367 0.400 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)NCCC[NH3+] ZINC000418315631 192022218 /nfs/dbraw/zinc/02/22/18/192022218.db2.gz VNERNMCCTQWBPQ-SECBINFHSA-N 2 0 216.329 0.008 20 0 BCADRP CCC[NH2+]CCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418311433 192022345 /nfs/dbraw/zinc/02/23/45/192022345.db2.gz FPFIDWVSVUSNCY-NSHDSACASA-N 2 0 242.367 0.285 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)NCCC[NH3+] ZINC000418315290 192023145 /nfs/dbraw/zinc/02/31/45/192023145.db2.gz UNKUJJJYHKKBKP-JTQLQIEISA-N 2 0 228.340 0.119 20 0 BCADRP [NH3+]CCCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418317076 192023638 /nfs/dbraw/zinc/02/36/38/192023638.db2.gz YAJCHIGSIVLJFO-JTQLQIEISA-N 2 0 228.340 0.152 20 0 BCADRP Cn1cncc1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000639457223 356242134 /nfs/dbraw/zinc/24/21/34/356242134.db2.gz QSEGXHYFPOAKBG-GHMZBOCLSA-N 2 0 220.320 0.114 20 0 BCADRP C[NH2+][C@@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420274977 192198375 /nfs/dbraw/zinc/19/83/75/192198375.db2.gz PPKSBFKVDHUDNY-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC[C@H](C)[NH+](C)C ZINC000617750319 356308779 /nfs/dbraw/zinc/30/87/79/356308779.db2.gz AXJHRQOEEGOSEP-NSHDSACASA-N 2 0 229.368 0.783 20 0 BCADRP NC(=O)C[C@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420302905 192207104 /nfs/dbraw/zinc/20/71/04/192207104.db2.gz MSQHGCDFYAWGPI-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H](CCNC(=O)C[NH+](C)C)[NH+](C)C ZINC000617752152 356311482 /nfs/dbraw/zinc/31/14/82/356311482.db2.gz KPOLUHCDBOLPCN-VIFPVBQESA-N 2 0 201.314 0.004 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000617752992 356312206 /nfs/dbraw/zinc/31/22/06/356312206.db2.gz YOSZMPKBFUIBNS-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP NC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420293227 192202820 /nfs/dbraw/zinc/20/28/20/192202820.db2.gz MVNDYNRSTGLXBZ-RYUDHWBXSA-N 2 0 211.353 0.799 20 0 BCADRP CO[C@H](C)C[N@H+](CCN1CC[NH2+]CC1)C(C)C ZINC000420314590 192213013 /nfs/dbraw/zinc/21/30/13/192213013.db2.gz ZBSJHJCCAPDUDB-CYBMUJFWSA-N 2 0 243.395 0.637 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420337960 192215672 /nfs/dbraw/zinc/21/56/72/192215672.db2.gz XNGFBNQYWAVMRA-GRYCIOLGSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338209 192216682 /nfs/dbraw/zinc/21/66/82/192216682.db2.gz XNGFBNQYWAVMRA-QJPTWQEYSA-N 2 0 239.363 0.572 20 0 BCADRP C[N@H+](CCOCC(F)F)C1CC([NH3+])C1 ZINC000420339207 192216816 /nfs/dbraw/zinc/21/68/16/192216816.db2.gz SCDGJHKPCNPEQN-UHFFFAOYSA-N 2 0 208.252 0.690 20 0 BCADRP C(CN1CC[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000420346519 192218141 /nfs/dbraw/zinc/21/81/41/192218141.db2.gz YNJNONNRKXGVMF-XQQFMLRXSA-N 2 0 223.364 0.670 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420303131 192207653 /nfs/dbraw/zinc/20/76/53/192207653.db2.gz HCVVTUOMCYUUJS-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP [NH3+]C[C@@H]1CN(CCC[NH+]2CCCCC2)CCO1 ZINC000420299991 192207758 /nfs/dbraw/zinc/20/77/58/192207758.db2.gz CAWQOEAPAAXDMR-CYBMUJFWSA-N 2 0 241.379 0.522 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420311172 192210295 /nfs/dbraw/zinc/21/02/95/192210295.db2.gz GYSGYLZOWXPNRR-QWRGUYRKSA-N 2 0 226.320 0.481 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420308254 192210356 /nfs/dbraw/zinc/21/03/56/192210356.db2.gz NICXSCPGXLKEEX-GFCCVEGCSA-N 2 0 226.320 0.625 20 0 BCADRP NC(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000420311838 192210547 /nfs/dbraw/zinc/21/05/47/192210547.db2.gz IBLOUPFHSHNZDB-UHFFFAOYSA-N 2 0 213.325 0.313 20 0 BCADRP C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000420369784 192226850 /nfs/dbraw/zinc/22/68/50/192226850.db2.gz OMUSSEIZLJKAHE-NTZNESFSSA-N 2 0 225.380 0.962 20 0 BCADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](CN)C1CC1 ZINC000420322695 192228041 /nfs/dbraw/zinc/22/80/41/192228041.db2.gz XBPWAWZHYDSYCD-JQWIXIFHSA-N 2 0 211.353 0.655 20 0 BCADRP C[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H](CN)C1CC1 ZINC000420322696 192228119 /nfs/dbraw/zinc/22/81/19/192228119.db2.gz XBPWAWZHYDSYCD-PWSUYJOCSA-N 2 0 211.353 0.655 20 0 BCADRP C[C@H](N)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327919 192228861 /nfs/dbraw/zinc/22/88/61/192228861.db2.gz LSCYMIUSFAQSTB-TUAOUCFPSA-N 2 0 211.353 0.655 20 0 BCADRP CCCCNC(=O)CC[N@H+](C)C1CC([NH3+])C1 ZINC000420329305 192230200 /nfs/dbraw/zinc/23/02/00/192230200.db2.gz JEWMGBBXBDAVLN-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+]CCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420358161 192220037 /nfs/dbraw/zinc/22/00/37/192220037.db2.gz FBCZPOZVDBOEOD-LBPRGKRZSA-N 2 0 211.353 0.671 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000420363882 192223452 /nfs/dbraw/zinc/22/34/52/192223452.db2.gz PYHLCZLMOPKNRY-LLVKDONJSA-N 2 0 214.309 0.073 20 0 BCADRP NC[C@H]([NH2+]CCOCC[NH3+])C1CCCCC1 ZINC000420364662 192224796 /nfs/dbraw/zinc/22/47/96/192224796.db2.gz KKEHSMYHRYFDPW-LBPRGKRZSA-N 3 0 229.368 0.459 20 0 BCADRP C[NH2+]CCCN1C[C@H]([NH3+])Cc2ccccc21 ZINC000420397187 192237069 /nfs/dbraw/zinc/23/70/69/192237069.db2.gz FDFGKKKNANKMCL-GFCCVEGCSA-N 2 0 219.332 0.986 20 0 BCADRP C[C@H]([NH3+])CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420396093 192237111 /nfs/dbraw/zinc/23/71/11/192237111.db2.gz LRCGAMBZERSXOG-SRVKXCTJSA-N 2 0 211.353 0.798 20 0 BCADRP C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000420404378 192238187 /nfs/dbraw/zinc/23/81/87/192238187.db2.gz RZMAWNSYLYTEGT-RWMBFGLXSA-N 2 0 223.364 0.812 20 0 BCADRP C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000420404379 192238496 /nfs/dbraw/zinc/23/84/96/192238496.db2.gz RZMAWNSYLYTEGT-UPJWGTAASA-N 2 0 223.364 0.812 20 0 BCADRP C[C@H](C(=O)N1CC[NH2+]CC1)[NH+]1CCCCCC1 ZINC000019474012 356483473 /nfs/dbraw/zinc/48/34/73/356483473.db2.gz RMIQCQJIXMRNJE-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP CC[NH+](CC)CCNC(=O)CC1CC[NH2+]CC1 ZINC000019514286 356484067 /nfs/dbraw/zinc/48/40/67/356484067.db2.gz YUUXNVWYKNNTRQ-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000019512411 356484278 /nfs/dbraw/zinc/48/42/78/356484278.db2.gz PRSDSRSMKXMODF-NSHDSACASA-N 2 0 229.368 0.818 20 0 BCADRP NC(=O)[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000043497674 181279109 /nfs/dbraw/zinc/27/91/09/181279109.db2.gz VSHBJSIEWVJBPC-LLVKDONJSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000309367101 491093866 /nfs/dbraw/zinc/09/38/66/491093866.db2.gz BJZUKVYWABBQGW-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000336169319 134114405 /nfs/dbraw/zinc/11/44/05/134114405.db2.gz GSDDQIQYQLJTTC-GHMZBOCLSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH2+]CCN(C)C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000578131376 366291853 /nfs/dbraw/zinc/29/18/53/366291853.db2.gz WQTMEPMGGLJYER-SNVBAGLBSA-N 2 0 235.331 0.998 20 0 BCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000639634369 356548930 /nfs/dbraw/zinc/54/89/30/356548930.db2.gz IKBZNOOYLWNSSV-RYUDHWBXSA-N 2 0 241.379 0.926 20 0 BCADRP CN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)[C@H](C[NH3+])C1CC1 ZINC000578131584 366286142 /nfs/dbraw/zinc/28/61/42/366286142.db2.gz IQXXSQPDRVEASY-LOWVWBTDSA-N 2 0 237.347 0.182 20 0 BCADRP CN(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[C@H](C[NH3+])C1CC1 ZINC000578131581 366293200 /nfs/dbraw/zinc/29/32/00/366293200.db2.gz IQXXSQPDRVEASY-DMDPSCGWSA-N 2 0 237.347 0.182 20 0 BCADRP CC[C@@H](CO)[N@H+](C)CCc1cncn1C ZINC000639658698 356566896 /nfs/dbraw/zinc/56/68/96/356566896.db2.gz CGUKSMJPSRNQBE-JTQLQIEISA-N 2 0 211.309 0.665 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627207145 363503345 /nfs/dbraw/zinc/50/33/45/363503345.db2.gz OZSCPLNJIWYGQY-BBBLOLIVSA-N 2 0 228.340 0.116 20 0 BCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1([NH3+])CCC1 ZINC000336215750 134136576 /nfs/dbraw/zinc/13/65/76/134136576.db2.gz HJQQFBZRUUFKHM-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627207006 363503468 /nfs/dbraw/zinc/50/34/68/363503468.db2.gz NEMQEURTQHGTGG-AEJSXWLSSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627207146 363503633 /nfs/dbraw/zinc/50/36/33/363503633.db2.gz OZSCPLNJIWYGQY-KXUCPTDWSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])C[NH2+]1 ZINC000627210183 363505171 /nfs/dbraw/zinc/50/51/71/363505171.db2.gz NHSJOEDGRWNITO-NXEZZACHSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)N[C@]2(C)CC[NH2+]C2)C[NH2+]1 ZINC000627210365 363505508 /nfs/dbraw/zinc/50/55/08/363505508.db2.gz PUCTWNFOCCAANA-CKYFFXLPSA-N 2 0 240.351 0.178 20 0 BCADRP CNC(=O)C(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000346651470 134153130 /nfs/dbraw/zinc/15/31/30/134153130.db2.gz SNWOXYOXYNIUJT-QWRGUYRKSA-N 2 0 241.379 0.688 20 0 BCADRP C[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1C[NH3+] ZINC000167656434 134153232 /nfs/dbraw/zinc/15/32/32/134153232.db2.gz JXGBKYYYKAHPQG-OUAUKWLOSA-N 2 0 225.336 0.134 20 0 BCADRP Cn1nncc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755272 356658834 /nfs/dbraw/zinc/65/88/34/356658834.db2.gz JFANIRKDXWEJCF-UHFFFAOYSA-N 2 0 249.362 0.733 20 0 BCADRP C[NH+](C)C[C@@]1(O)CCCN(Cc2ccccn2)C1 ZINC000639760774 356675707 /nfs/dbraw/zinc/67/57/07/356675707.db2.gz CZXICURCBQHZRW-AWEZNQCLSA-N 2 0 249.358 0.970 20 0 BCADRP CC[NH+](CC)CCN(CCOC)C(=O)[C@H](C)[NH3+] ZINC000167674355 134153822 /nfs/dbraw/zinc/15/38/22/134153822.db2.gz YMIAJCLSDSOOEE-NSHDSACASA-N 2 0 245.367 0.150 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000582248205 356679067 /nfs/dbraw/zinc/67/90/67/356679067.db2.gz OYOJCKPYTWWGAL-QWRGUYRKSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000632881191 356665411 /nfs/dbraw/zinc/66/54/11/356665411.db2.gz ZAKMZEVQADUWKE-ZJUUUORDSA-N 2 0 233.315 0.498 20 0 BCADRP CN(C(=O)C[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000167901339 134154820 /nfs/dbraw/zinc/15/48/20/134154820.db2.gz AUGZAQPWYCMQOT-ZACCUICWSA-N 2 0 225.336 0.289 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C[NH+](C)C ZINC000167926068 134155049 /nfs/dbraw/zinc/15/50/49/134155049.db2.gz YQMHCIQDVPIJQS-ZJUUUORDSA-N 2 0 213.325 0.276 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000578173032 366355113 /nfs/dbraw/zinc/35/51/13/366355113.db2.gz ZBMRMHSBJXEINB-UTUOFQBUSA-N 2 0 239.363 0.762 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC000036192233 356707041 /nfs/dbraw/zinc/70/70/41/356707041.db2.gz SDFARXHROFNTKZ-PWSUYJOCSA-N 2 0 241.379 0.912 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000354574508 356740756 /nfs/dbraw/zinc/74/07/56/356740756.db2.gz GYHKJHGXKHWBOL-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H](C(=O)NCC[NH2+]C(C)(C)C)[NH+](C)C ZINC000639799482 356760897 /nfs/dbraw/zinc/76/08/97/356760897.db2.gz DBQASKLAQUNRHF-VIFPVBQESA-N 2 0 215.341 0.441 20 0 BCADRP C[NH2+][C@@H](C)Cc1noc(CC[C@H]2CC[NH2+]C2)n1 ZINC000578192031 366378164 /nfs/dbraw/zinc/37/81/64/366378164.db2.gz YKRWIPLSNZQWLT-UWVGGRQHSA-N 2 0 238.335 0.762 20 0 BCADRP CC[N@@H+]1C[C@@H](C)N(CCOCC[NH3+])C[C@@H]1C ZINC000578193718 366379631 /nfs/dbraw/zinc/37/96/31/366379631.db2.gz KRWWQJQZISOVAA-NWDGAFQWSA-N 2 0 229.368 0.376 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH2+]C ZINC000357240639 356820165 /nfs/dbraw/zinc/82/01/65/356820165.db2.gz MIJSVULKRYNKQJ-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)C[NH3+] ZINC000357254083 356820188 /nfs/dbraw/zinc/82/01/88/356820188.db2.gz YQTHLZPKDBWYJU-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](O)C[C@]1(C)CO ZINC000639850466 356853241 /nfs/dbraw/zinc/85/32/41/356853241.db2.gz VRTGCOLOWDKMDW-FRRDWIJNSA-N 2 0 242.363 0.288 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](O)C[C@]1(C)CO ZINC000639850468 356853288 /nfs/dbraw/zinc/85/32/88/356853288.db2.gz VRTGCOLOWDKMDW-JHJVBQTASA-N 2 0 242.363 0.288 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)CCC[NH2+]C ZINC000041680172 358513084 /nfs/dbraw/zinc/51/30/84/358513084.db2.gz FRPQKFBBYVODOT-NSHDSACASA-N 2 0 229.368 0.833 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCCCC[NH+](C)C ZINC000041679626 358513293 /nfs/dbraw/zinc/51/32/93/358513293.db2.gz GKVRHCVBNMYMPR-LBPRGKRZSA-N 2 0 229.368 0.962 20 0 BCADRP CC(C)[C@H]1CC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423207121 192627903 /nfs/dbraw/zinc/62/79/03/192627903.db2.gz RBEAIIWDLOKNPE-CHWSQXEVSA-N 2 0 225.380 0.916 20 0 BCADRP CC1(C)CN(C(=O)[C@H]2CC23C[NH2+]C3)CC[C@@H]1[NH3+] ZINC000368486616 356973220 /nfs/dbraw/zinc/97/32/20/356973220.db2.gz CCVUOGVQQDAZLW-ZJUUUORDSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@@H](O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156114136 538768710 /nfs/dbraw/zinc/76/87/10/538768710.db2.gz KFNZBTPDCRCACF-GRYCIOLGSA-N 2 0 212.337 0.974 20 0 BCADRP [NH3+]CCCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000389649194 357008597 /nfs/dbraw/zinc/00/85/97/357008597.db2.gz UZFZEJJHSGORTK-UWVGGRQHSA-N 2 0 213.325 0.359 20 0 BCADRP [NH3+]CCCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000389649196 357009017 /nfs/dbraw/zinc/00/90/17/357009017.db2.gz UZFZEJJHSGORTK-VHSXEESVSA-N 2 0 213.325 0.359 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000582358528 357101744 /nfs/dbraw/zinc/10/17/44/357101744.db2.gz BYQQSOQWQWFHRX-NAKRPEOUSA-N 2 0 242.367 0.491 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000390614817 357107347 /nfs/dbraw/zinc/10/73/47/357107347.db2.gz GNVWMHMPTFNPOZ-KXUCPTDWSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000390614821 357107381 /nfs/dbraw/zinc/10/73/81/357107381.db2.gz GNVWMHMPTFNPOZ-OPRDCNLKSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+]CCC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000390610932 357107448 /nfs/dbraw/zinc/10/74/48/357107448.db2.gz FCGKYDCKFHVACM-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH3+] ZINC000389942456 357070514 /nfs/dbraw/zinc/07/05/14/357070514.db2.gz PFIZNFTVLGIJMH-YIZRAAEISA-N 2 0 201.314 0.071 20 0 BCADRP CC(C)[NH2+]CCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000193439949 357072972 /nfs/dbraw/zinc/07/29/72/357072972.db2.gz AAAHTLATGGUOGM-LBPRGKRZSA-N 2 0 229.368 0.247 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390504660 357098782 /nfs/dbraw/zinc/09/87/82/357098782.db2.gz WKSOPJIYLHLNBS-UTUOFQBUSA-N 2 0 209.337 0.137 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000377150264 357225982 /nfs/dbraw/zinc/22/59/82/357225982.db2.gz FGHSMFNHYRMHOO-GXSJLCMTSA-N 2 0 231.315 0.322 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000392806187 357234807 /nfs/dbraw/zinc/23/48/07/357234807.db2.gz CKTRVLHYWXYDSD-RYUDHWBXSA-N 2 0 237.347 0.363 20 0 BCADRP C[NH2+][C@H](C)Cc1noc(C[NH2+]CC2CC2)n1 ZINC000583692904 357180046 /nfs/dbraw/zinc/18/00/46/357180046.db2.gz MTMDPLBLDDATIJ-MRVPVSSYSA-N 2 0 224.308 0.720 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CO)CC1 ZINC000393564978 357287650 /nfs/dbraw/zinc/28/76/50/357287650.db2.gz QBXUWYUQWFJHNK-STQMWFEESA-N 2 0 244.379 0.393 20 0 BCADRP CS(=O)(=O)C1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000393685972 357292583 /nfs/dbraw/zinc/29/25/83/357292583.db2.gz QCMGUIHPGMVEDQ-VHSXEESVSA-N 2 0 246.376 0.423 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000393777846 357298623 /nfs/dbraw/zinc/29/86/23/357298623.db2.gz LZWCKESQSDFQNC-ONGXEEELSA-N 2 0 213.325 0.230 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CC[NH+]2CCC1CC2 ZINC000582723546 357372187 /nfs/dbraw/zinc/37/21/87/357372187.db2.gz LWBPZDYRPSXPMI-UHFFFAOYSA-N 2 0 223.320 0.045 20 0 BCADRP CC[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C(C)C ZINC000582481565 357316856 /nfs/dbraw/zinc/31/68/56/357316856.db2.gz UQVQWLBSGQYRED-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP CN(CC[NH3+])C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000582486318 357318447 /nfs/dbraw/zinc/31/84/47/357318447.db2.gz GUQSUPBCTUZZOW-NSHDSACASA-N 2 0 221.304 0.146 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000582545856 357330907 /nfs/dbraw/zinc/33/09/07/357330907.db2.gz LHBUHGFMVBHPMI-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP [NH3+]C1(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)CCC1 ZINC000582546922 357332136 /nfs/dbraw/zinc/33/21/36/357332136.db2.gz TZGQLPUJNBPEJO-TXEJJXNPSA-N 2 0 239.363 0.321 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000582605314 357349302 /nfs/dbraw/zinc/34/93/02/357349302.db2.gz PJNKCHMXJJABAM-PWSUYJOCSA-N 2 0 235.331 0.582 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000582617382 357354449 /nfs/dbraw/zinc/35/44/49/357354449.db2.gz VGLPPFYZNIJRJG-GXSJLCMTSA-N 2 0 225.336 0.289 20 0 BCADRP Cn1nncc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000394957866 357401538 /nfs/dbraw/zinc/40/15/38/357401538.db2.gz NULPSFHUDYJNNB-UHFFFAOYSA-N 2 0 223.324 0.376 20 0 BCADRP C[NH+](C)C[C@H](O)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623408516 357405789 /nfs/dbraw/zinc/40/57/89/357405789.db2.gz YVTXJHWIHXAAGY-NWDGAFQWSA-N 2 0 243.395 0.371 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC(C)(C)CCC[NH3+] ZINC000382411143 357499673 /nfs/dbraw/zinc/49/96/73/357499673.db2.gz UMRHTWMTMUDALB-SECBINFHSA-N 2 0 215.341 0.748 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000582965579 357446125 /nfs/dbraw/zinc/44/61/25/357446125.db2.gz SRLHJDFSPAJKBR-ZWNOBZJWSA-N 2 0 247.342 0.760 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000583024251 357452505 /nfs/dbraw/zinc/45/25/05/357452505.db2.gz ROBLEYROIKGUNM-GXSJLCMTSA-N 2 0 239.363 0.631 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000583082923 357474596 /nfs/dbraw/zinc/47/45/96/357474596.db2.gz RBIVSLREDIIVTE-ZDUSSCGKSA-N 2 0 247.342 0.599 20 0 BCADRP C[C@@H](c1ccccn1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397028461 357490042 /nfs/dbraw/zinc/49/00/42/357490042.db2.gz NWTPDRDSOGMGCG-NSHDSACASA-N 2 0 235.331 0.928 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000230711890 357574047 /nfs/dbraw/zinc/57/40/47/357574047.db2.gz TTYAZBMBFSDEBB-CYBMUJFWSA-N 2 0 241.379 0.786 20 0 BCADRP COCCC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)O)CC1 ZINC000583198751 357516525 /nfs/dbraw/zinc/51/65/25/357516525.db2.gz DWBWCIOXYYBYQI-RYUDHWBXSA-N 2 0 244.379 0.846 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188705826 357565874 /nfs/dbraw/zinc/56/58/74/357565874.db2.gz SRARWELIYOMNRE-SNVBAGLBSA-N 2 0 247.342 0.762 20 0 BCADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCC[NH2+]1 ZINC000188723521 357565896 /nfs/dbraw/zinc/56/58/96/357565896.db2.gz QUGWIYDIFSPSPI-ZDUSSCGKSA-N 2 0 245.326 0.658 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000082771988 491112627 /nfs/dbraw/zinc/11/26/27/491112627.db2.gz STHNFRXHDIYIJL-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]1C(=O)NCCC[N@H+]1CCn1ccnc1 ZINC000189345803 357633403 /nfs/dbraw/zinc/63/34/03/357633403.db2.gz BRBSGNMXRNUUJT-JTQLQIEISA-N 2 0 222.292 0.094 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NCCOCC[NH+](C)C ZINC000232988637 357688492 /nfs/dbraw/zinc/68/84/92/357688492.db2.gz FOQZVKWSBWQQEC-NSHDSACASA-N 2 0 245.367 0.198 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C[NH2+]C ZINC000086065019 357808573 /nfs/dbraw/zinc/80/85/73/357808573.db2.gz PKPCVGPWLQINQB-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000086066062 357809154 /nfs/dbraw/zinc/80/91/54/357809154.db2.gz FHETWFPTZIXWFI-NSHDSACASA-N 2 0 227.352 0.395 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000086070269 357817716 /nfs/dbraw/zinc/81/77/16/357817716.db2.gz NFRFNQJPOZEVNJ-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP CC[N@H+](CCCCn1ccnc1C)CC(N)=O ZINC000191715479 357789357 /nfs/dbraw/zinc/78/93/57/357789357.db2.gz NRRQFTZUOQVBQW-UHFFFAOYSA-N 2 0 238.335 0.779 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)CC[N@@H+]1C ZINC000399068237 357895295 /nfs/dbraw/zinc/89/52/95/357895295.db2.gz MZBKUDXFLSFRLO-JLLWLGSASA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]1C[C@H](C(=O)NCCCC[NH+](C)C)CC[NH2+]1 ZINC000235587901 357881256 /nfs/dbraw/zinc/88/12/56/357881256.db2.gz HXBSCFPHYUMYCM-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000192985096 357863514 /nfs/dbraw/zinc/86/35/14/357863514.db2.gz YGRFFFNXUVEJEC-VXGBXAGGSA-N 2 0 212.337 0.785 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C1(C)C[NH2+]C1 ZINC000399168410 357897950 /nfs/dbraw/zinc/89/79/50/357897950.db2.gz BZNBPANFPLYVEQ-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP CC1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[NH2+]C1 ZINC000399302255 357902031 /nfs/dbraw/zinc/90/20/31/357902031.db2.gz PGTWRLTVRWHYCK-NSHDSACASA-N 2 0 237.347 0.293 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000583752244 357933999 /nfs/dbraw/zinc/93/39/99/357933999.db2.gz YOSDKCQMRJOORR-SSDOTTSWSA-N 2 0 241.257 0.382 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)[C@H](C)C[NH2+]C)CC1 ZINC000583752235 357934343 /nfs/dbraw/zinc/93/43/43/357934343.db2.gz YHRUMVJFNVSKNF-LLVKDONJSA-N 2 0 241.379 0.690 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000584459549 357984873 /nfs/dbraw/zinc/98/48/73/357984873.db2.gz UWDBQAZLQNCTOQ-WZRBSPASSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C2([NH3+])CC2)C1 ZINC000169026843 134248854 /nfs/dbraw/zinc/24/88/54/134248854.db2.gz AQJGYHUARXRVER-VHSXEESVSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H](C(=O)NC1CC1)N1CCC[C@@H](C[NH3+])C1 ZINC000217557133 134248333 /nfs/dbraw/zinc/24/83/33/134248333.db2.gz WFWTVYHPLGVXML-UWVGGRQHSA-N 2 0 225.336 0.324 20 0 BCADRP O=C(C[NH2+]C1CC1)NCCC[NH+]1CCCCC1 ZINC000037609160 358083576 /nfs/dbraw/zinc/08/35/76/358083576.db2.gz HRTPVSXRUHSPDB-UHFFFAOYSA-N 2 0 239.363 0.731 20 0 BCADRP CN(C(=O)[C@@]1(C)CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000584580433 358085435 /nfs/dbraw/zinc/08/54/35/358085435.db2.gz WBJOLPHYXFPDMJ-JQWIXIFHSA-N 2 0 225.336 0.196 20 0 BCADRP CN(CCCS(C)(=O)=O)[C@H]1CCC[NH2+]CC1 ZINC000217935170 134251012 /nfs/dbraw/zinc/25/10/12/134251012.db2.gz POKCTTRPKLJQLM-NSHDSACASA-N 2 0 248.392 0.495 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000584598441 358112346 /nfs/dbraw/zinc/11/23/46/358112346.db2.gz ISBKWLXINAYNDT-CHWSQXEVSA-N 2 0 240.395 0.093 20 0 BCADRP Cc1cnn(CC[NH2+][C@](C)(C[NH3+])C2CC2)c1 ZINC000584604432 358104919 /nfs/dbraw/zinc/10/49/19/358104919.db2.gz SKSUWGHKKMRNFB-GFCCVEGCSA-N 2 0 222.336 0.909 20 0 BCADRP C[C@@H]1C[C@H]1C[N@H+](C)CC(=O)N1CCN(C)CC1 ZINC000640065694 358154005 /nfs/dbraw/zinc/15/40/05/358154005.db2.gz ZSRIVVNBRVZYDB-NEPJUHHUSA-N 2 0 239.363 0.348 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000584720756 358161931 /nfs/dbraw/zinc/16/19/31/358161931.db2.gz RHJSGVXMQBDTKU-ZMLRMANQSA-N 2 0 237.347 0.337 20 0 BCADRP C[NH2+]CCN(C)C(=O)Nc1cc(C)ncc1C ZINC000584767542 358171364 /nfs/dbraw/zinc/17/13/64/358171364.db2.gz FEHRLDCCUMICGU-UHFFFAOYSA-N 2 0 236.319 0.803 20 0 BCADRP COC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000584779115 358176395 /nfs/dbraw/zinc/17/63/95/358176395.db2.gz SDBAEOHKLIGJHP-LBPRGKRZSA-N 2 0 249.314 0.245 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000584838099 358198358 /nfs/dbraw/zinc/19/83/58/358198358.db2.gz UDYNVLKOCMBXFB-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000224048454 358231260 /nfs/dbraw/zinc/23/12/60/358231260.db2.gz NFYLOMHXYHSCDJ-LLVKDONJSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)[NH+](C)C ZINC000613659707 363600849 /nfs/dbraw/zinc/60/08/49/363600849.db2.gz CUYNSLQLUUCIMO-HBNTYKKESA-N 2 0 227.352 0.535 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000040624520 358244202 /nfs/dbraw/zinc/24/42/02/358244202.db2.gz SVKFRZZPTLHQFQ-LLVKDONJSA-N 2 0 239.363 0.585 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H]([NH3+])CC ZINC000041680304 358333789 /nfs/dbraw/zinc/33/37/89/358333789.db2.gz YDVBRMPGFFODMX-SNVBAGLBSA-N 2 0 215.341 0.524 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C[NH2+]C ZINC000041680295 358334096 /nfs/dbraw/zinc/33/40/96/358334096.db2.gz KCOZHTHEZRYMCY-UHFFFAOYSA-N 2 0 201.314 0.006 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC1(C[NH3+])CC1 ZINC000653215033 491128386 /nfs/dbraw/zinc/12/83/86/491128386.db2.gz MFSDBVRXVNVGDW-ZJUUUORDSA-N 2 0 227.352 0.605 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000226396603 358337942 /nfs/dbraw/zinc/33/79/42/358337942.db2.gz BGJPUERENPFPBQ-YPMHNXCESA-N 2 0 241.379 0.833 20 0 BCADRP COC[C@@H](C)[NH2+]CCN1CC[C@@H](C)C1 ZINC000226790808 358344177 /nfs/dbraw/zinc/34/41/77/358344177.db2.gz RSXYPMZQFCFUPV-GHMZBOCLSA-N 2 0 200.326 0.953 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C[NH2+]C1CC1 ZINC000229094528 358345003 /nfs/dbraw/zinc/34/50/03/358345003.db2.gz FHVDANAHPWOUTJ-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP [NH3+]CCC1CC[NH+](CCn2cccn2)CC1 ZINC000042427821 358348884 /nfs/dbraw/zinc/34/88/84/358348884.db2.gz RVYMYWCSCHULKD-UHFFFAOYSA-N 2 0 222.336 0.944 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000613661110 363607397 /nfs/dbraw/zinc/60/73/97/363607397.db2.gz SQENPHNNNAPWIX-IJLUTSLNSA-N 2 0 239.363 0.680 20 0 BCADRP [NH3+]CCCNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000044467057 358388080 /nfs/dbraw/zinc/38/80/80/358388080.db2.gz GTCVIAMSAKOIGZ-LBPRGKRZSA-N 2 0 233.315 0.338 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH3+])C1 ZINC000044538894 358389631 /nfs/dbraw/zinc/38/96/31/358389631.db2.gz QJVIIWQMZRPEDV-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCSCCCO)C1 ZINC000230784303 358410965 /nfs/dbraw/zinc/41/09/65/358410965.db2.gz OLEXZZKNSGABOU-MNOVXSKESA-N 2 0 232.393 0.962 20 0 BCADRP CO[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000230316188 358397584 /nfs/dbraw/zinc/39/75/84/358397584.db2.gz KJXZPWAMAMHHED-GFCCVEGCSA-N 2 0 227.352 0.002 20 0 BCADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(N)=O ZINC000230382136 358397760 /nfs/dbraw/zinc/39/77/60/358397760.db2.gz OZDGVPANFKEEGR-DTWKUNHWSA-N 2 0 213.325 0.357 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCOCC1 ZINC000219314351 134281137 /nfs/dbraw/zinc/28/11/37/134281137.db2.gz AEECGAXMZHSIBZ-GFCCVEGCSA-N 2 0 230.352 0.723 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000418418865 358432163 /nfs/dbraw/zinc/43/21/63/358432163.db2.gz YFQCEFLLMMQRIW-QWRGUYRKSA-N 2 0 244.383 0.786 20 0 BCADRP COC[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623427569 358437106 /nfs/dbraw/zinc/43/71/06/358437106.db2.gz DFQKODREZNSWOO-RYUDHWBXSA-N 2 0 244.379 0.846 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(C)=O ZINC000125554584 358541904 /nfs/dbraw/zinc/54/19/04/358541904.db2.gz DEDALUOAGAOXES-ZDUSSCGKSA-N 2 0 241.379 0.881 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000086270940 358566083 /nfs/dbraw/zinc/56/60/83/358566083.db2.gz NKXAOXKRVZWAIE-KOLCDFICSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000086271772 358572863 /nfs/dbraw/zinc/57/28/63/358572863.db2.gz YWUWLLYVKCVJLN-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+](C)C1CC1 ZINC000086271921 358573600 /nfs/dbraw/zinc/57/36/00/358573600.db2.gz GFBFLVOYQARZMK-GXSJLCMTSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000086271514 358574224 /nfs/dbraw/zinc/57/42/24/358574224.db2.gz UZLMEFFWOCYVLS-NXEZZACHSA-N 2 0 227.352 0.441 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000130429684 358625738 /nfs/dbraw/zinc/62/57/38/358625738.db2.gz MLQGMVFOPXQPKW-GFCCVEGCSA-N 2 0 241.379 0.738 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C[NH+](C)C ZINC000175454114 134287073 /nfs/dbraw/zinc/28/70/73/134287073.db2.gz CNQYDSGFGIHVKQ-UHFFFAOYSA-N 2 0 215.341 0.396 20 0 BCADRP C[NH+](C)CC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175444950 134287384 /nfs/dbraw/zinc/28/73/84/134287384.db2.gz FXQWUWOBTKAGCN-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP [NH3+][C@@H](C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000131673775 358687853 /nfs/dbraw/zinc/68/78/53/358687853.db2.gz KGRMHHUFDKUBGT-WDEREUQCSA-N 2 0 219.288 0.165 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000133783504 358767701 /nfs/dbraw/zinc/76/77/01/358767701.db2.gz JWYREZNXSUNHOW-WDEREUQCSA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH3+])C1)[NH+](C)C ZINC000132324431 358718844 /nfs/dbraw/zinc/71/88/44/358718844.db2.gz QYGIULZZLMPCDX-VHSXEESVSA-N 2 0 213.325 0.132 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)c1ccc(C[NH3+])o1 ZINC000390627407 358719154 /nfs/dbraw/zinc/71/91/54/358719154.db2.gz KEIGFWIKWHYAFV-ZETCQYMHSA-N 2 0 211.265 0.205 20 0 BCADRP [NH3+]CCCC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000132910826 358739488 /nfs/dbraw/zinc/73/94/88/358739488.db2.gz VVJQTHGYTYXNMY-QWRGUYRKSA-N 2 0 225.336 0.468 20 0 BCADRP CNC(=O)CCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000132971731 358740849 /nfs/dbraw/zinc/74/08/49/358740849.db2.gz IBTPNMIELGOKPP-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CCC[C@@H](C)[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298657 358821002 /nfs/dbraw/zinc/82/10/02/358821002.db2.gz NMAJRCMPUCQILQ-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP Cn1cc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000226151569 358784593 /nfs/dbraw/zinc/78/45/93/358784593.db2.gz AXDGHBMNLNQISN-RYUDHWBXSA-N 2 0 220.320 0.114 20 0 BCADRP CC[C@]1(C(=O)NC[C@H]([NH3+])C(C)C)CCC[NH2+]1 ZINC000134368711 358788479 /nfs/dbraw/zinc/78/84/79/358788479.db2.gz NIPKBGNPLDMFAE-CMPLNLGQSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000578236436 366464482 /nfs/dbraw/zinc/46/44/82/366464482.db2.gz RKCGOHUEWQBXTE-MNOVXSKESA-N 2 0 237.347 0.339 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H]([NH3+])C(C)C ZINC000220073790 134299157 /nfs/dbraw/zinc/29/91/57/134299157.db2.gz BFSFJXYBRDPNOU-LLVKDONJSA-N 2 0 229.368 0.818 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC(C)(C)[NH3+] ZINC000578321216 366509740 /nfs/dbraw/zinc/50/97/40/366509740.db2.gz ZIBGLLQZVMHXHZ-YUMQZZPRSA-N 2 0 216.329 0.149 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC(C)(C)[NH3+] ZINC000578321213 366509755 /nfs/dbraw/zinc/50/97/55/366509755.db2.gz ZIBGLLQZVMHXHZ-HTQZYQBOSA-N 2 0 216.329 0.149 20 0 BCADRP CS(=O)(=O)CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086403384 358967973 /nfs/dbraw/zinc/96/79/73/358967973.db2.gz HFGPNBVYGRZNFA-ZJUUUORDSA-N 2 0 234.365 0.281 20 0 BCADRP [NH3+]CCCCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000578333479 366522934 /nfs/dbraw/zinc/52/29/34/366522934.db2.gz SUMJNYHCYREFGM-UHFFFAOYSA-N 2 0 239.363 0.845 20 0 BCADRP C[C@@H]1COCCN1CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000578337745 366528354 /nfs/dbraw/zinc/52/83/54/366528354.db2.gz PSTNUMVVLQSKEA-UPJWGTAASA-N 2 0 241.379 0.567 20 0 BCADRP C[C@@H]1COCCN1CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000578337743 366528433 /nfs/dbraw/zinc/52/84/33/366528433.db2.gz PSTNUMVVLQSKEA-FRRDWIJNSA-N 2 0 241.379 0.567 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000309662051 358989151 /nfs/dbraw/zinc/98/91/51/358989151.db2.gz YFPLGOPYURXNFR-RYUDHWBXSA-N 2 0 211.353 0.527 20 0 BCADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC000070944672 359066523 /nfs/dbraw/zinc/06/65/23/359066523.db2.gz UYULLBAZWHOWEH-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246489952 359121007 /nfs/dbraw/zinc/12/10/07/359121007.db2.gz HBLRCYCVDMDGMP-WCQYABFASA-N 2 0 224.348 0.927 20 0 BCADRP CCC[C@@H](C(=O)N1CC[C@](C)(C[NH3+])C1)[NH+](C)C ZINC000423611893 192818729 /nfs/dbraw/zinc/81/87/29/192818729.db2.gz ORZFXTZULBWUQB-WCQYABFASA-N 2 0 241.379 0.914 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC[C@H]1CCC[NH2+]C1 ZINC000580431310 359542995 /nfs/dbraw/zinc/54/29/95/359542995.db2.gz ITYNYLMWEJBFJX-QWRGUYRKSA-N 2 0 213.369 0.949 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H](C)[C@H](C)[NH3+])[C@H](C)[NH3+] ZINC000423684149 192823085 /nfs/dbraw/zinc/82/30/85/192823085.db2.gz QXDCWMLKSCRJQX-QEYWKRMJSA-N 2 0 215.341 0.458 20 0 BCADRP CCn1ccnc1CNC(=O)N(C)CCC[NH3+] ZINC000580451405 359559487 /nfs/dbraw/zinc/55/94/87/359559487.db2.gz GIAAAODFKCPSJH-UHFFFAOYSA-N 2 0 239.323 0.393 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623454904 359616273 /nfs/dbraw/zinc/61/62/73/359616273.db2.gz SZUJMUSPYWWFGH-ZJUUUORDSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000578444061 366569616 /nfs/dbraw/zinc/56/96/16/366569616.db2.gz KEBSYUXPBKEIFC-HBNTYKKESA-N 2 0 225.336 0.243 20 0 BCADRP C1[NH2+]CC1N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000578497280 366579355 /nfs/dbraw/zinc/57/93/55/366579355.db2.gz QSFVPUVYKDLUJJ-XQQFMLRXSA-N 2 0 223.364 0.859 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000578533967 366593514 /nfs/dbraw/zinc/59/35/14/366593514.db2.gz FEEXKZDKFGMOJO-SNVBAGLBSA-N 2 0 248.330 0.695 20 0 BCADRP CCC[NH2+]CCNC(=O)NCC1CC[NH2+]CC1 ZINC000578609586 366605451 /nfs/dbraw/zinc/60/54/51/366605451.db2.gz JNMHSWSDYHBEDY-UHFFFAOYSA-N 2 0 242.367 0.285 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000578609524 366606324 /nfs/dbraw/zinc/60/63/24/366606324.db2.gz BYLZUWUZTIALOU-LLVKDONJSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@@H]1CN(c2ncnc(N)c2Cl)CC[C@H]1[NH3+] ZINC000578610672 366607688 /nfs/dbraw/zinc/60/76/88/366607688.db2.gz RMCFKVMLTZQQPI-RNFRBKRXSA-N 2 0 241.726 0.886 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000578618270 366608503 /nfs/dbraw/zinc/60/85/03/366608503.db2.gz XKURZBHTNXKTTK-AXFHLTTASA-N 2 0 227.352 0.346 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000578729744 366632570 /nfs/dbraw/zinc/63/25/70/366632570.db2.gz XKIVLPFWIDTXRY-VHSXEESVSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCN2CCO[C@H](C)C2)C1 ZINC000578868057 366661320 /nfs/dbraw/zinc/66/13/20/366661320.db2.gz OBDSILKYCFJVMO-JHJVBQTASA-N 2 0 241.379 0.376 20 0 BCADRP CNC(=O)CCC[N@H+](C)CCC1CC[NH2+]CC1 ZINC000090694248 360084362 /nfs/dbraw/zinc/08/43/62/360084362.db2.gz OJOBJSGNMRVHBK-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091395782 360113772 /nfs/dbraw/zinc/11/37/72/360113772.db2.gz MUWUZCZCQIMYQK-NEPJUHHUSA-N 2 0 241.379 0.770 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@@H]2CN(C)CCO2)CC1 ZINC000091666841 360122080 /nfs/dbraw/zinc/12/20/80/360122080.db2.gz HVEAXHKPISMNKE-CYBMUJFWSA-N 2 0 241.379 0.391 20 0 BCADRP C[N@H+](CCNC(=O)N[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000612879843 360151926 /nfs/dbraw/zinc/15/19/26/360151926.db2.gz DMDBPDDLDNKJCX-LBPRGKRZSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612925911 360196337 /nfs/dbraw/zinc/19/63/37/360196337.db2.gz RNWXXGGIPAABBS-GXSJLCMTSA-N 2 0 228.340 0.165 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612930756 360201906 /nfs/dbraw/zinc/20/19/06/360201906.db2.gz SCXGEQUEGBVXBC-ZYHUDNBSSA-N 2 0 242.367 0.411 20 0 BCADRP CN(Cc1cnnn1C)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253405 360159434 /nfs/dbraw/zinc/15/94/34/360159434.db2.gz PIFPULQIPQLXSJ-LLVKDONJSA-N 2 0 237.351 0.589 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612917713 360177346 /nfs/dbraw/zinc/17/73/46/360177346.db2.gz IODIVVNPKHEGHF-JQWIXIFHSA-N 2 0 242.367 0.555 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612917671 360177672 /nfs/dbraw/zinc/17/76/72/360177672.db2.gz IELGLNPQFOGYPS-GXSJLCMTSA-N 2 0 228.340 0.021 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612918261 360177885 /nfs/dbraw/zinc/17/78/85/360177885.db2.gz LYPLTVHLOKYVDJ-LLVKDONJSA-N 2 0 242.367 0.555 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612917714 360178046 /nfs/dbraw/zinc/17/80/46/360178046.db2.gz IODIVVNPKHEGHF-PWSUYJOCSA-N 2 0 242.367 0.555 20 0 BCADRP C[C@@]1(NC(=O)N[C@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000612919954 360180861 /nfs/dbraw/zinc/18/08/61/360180861.db2.gz AVILIMBOZFZBMH-CMPLNLGQSA-N 2 0 240.351 0.180 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612920325 360181857 /nfs/dbraw/zinc/18/18/57/360181857.db2.gz FOCAFEWQPPGJEO-SCVCMEIPSA-N 2 0 240.351 0.036 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)N[C@@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000612922056 360182498 /nfs/dbraw/zinc/18/24/98/360182498.db2.gz ATOCZPNBYGVHEQ-FOGDFJRCSA-N 2 0 240.351 0.178 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612914254 360187931 /nfs/dbraw/zinc/18/79/31/360187931.db2.gz CVEWHRYWZHXZKE-LLVKDONJSA-N 2 0 228.340 0.037 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000430686416 192884597 /nfs/dbraw/zinc/88/45/97/192884597.db2.gz MPKVTHHFOMKEGX-ONGXEEELSA-N 2 0 245.392 0.277 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612923546 360193372 /nfs/dbraw/zinc/19/33/72/360193372.db2.gz CVMJUHGSSRIWRE-JQWIXIFHSA-N 2 0 242.367 0.555 20 0 BCADRP Cn1nncc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000093088670 360217195 /nfs/dbraw/zinc/21/71/95/360217195.db2.gz LZAZOOYISYTTOM-UHFFFAOYSA-N 2 0 237.351 0.589 20 0 BCADRP C[C@@H](NC(=O)N[C@H]1CC12CC[NH2+]CC2)[C@H](C)[NH3+] ZINC000612993543 360248094 /nfs/dbraw/zinc/24/80/94/360248094.db2.gz NVCVUHRFTPQTHO-AEJSXWLSSA-N 2 0 240.351 0.163 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612992291 360248127 /nfs/dbraw/zinc/24/81/27/360248127.db2.gz BZEAUKBTBBKERD-NXEZZACHSA-N 2 0 240.351 0.023 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612992762 360248220 /nfs/dbraw/zinc/24/82/20/360248220.db2.gz KELRVLRXYAMQFQ-VHSXEESVSA-N 2 0 240.351 0.165 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612995768 360249270 /nfs/dbraw/zinc/24/92/70/360249270.db2.gz ZMZBIGYWTHODOQ-SNVBAGLBSA-N 2 0 240.351 0.119 20 0 BCADRP CC[C@H](C(=O)N1CCC2(C[NH+](C)C2)C1)[NH+](C)C ZINC000614038051 363713275 /nfs/dbraw/zinc/71/32/75/363713275.db2.gz KKUQXTSIQLSSAC-LLVKDONJSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@@H](C(=O)N1CCC2(C[NH+](C)C2)C1)[NH+](C)C ZINC000614038950 363714114 /nfs/dbraw/zinc/71/41/14/363714114.db2.gz HSQUDYKAMQSANT-JTQLQIEISA-N 2 0 225.336 0.101 20 0 BCADRP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC000614124090 363724249 /nfs/dbraw/zinc/72/42/49/363724249.db2.gz JKOXANAEPVKHFE-PHIMTYICSA-N 2 0 237.347 0.101 20 0 BCADRP COC[C@@H](O)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623478367 360434003 /nfs/dbraw/zinc/43/40/03/360434003.db2.gz JGZHPDWSQYRHIY-RYUDHWBXSA-N 2 0 244.379 0.846 20 0 BCADRP C[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000306588953 360494417 /nfs/dbraw/zinc/49/44/17/360494417.db2.gz WGPXBAIVRMIXDW-ZNSHCXBVSA-N 2 0 200.326 0.672 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000449388292 200672030 /nfs/dbraw/zinc/67/20/30/200672030.db2.gz ZGYLHCOAYOXLCT-NSHDSACASA-N 2 0 241.379 0.880 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449603934 200693982 /nfs/dbraw/zinc/69/39/82/200693982.db2.gz RTHMGUJPXTVCOK-VLEAKVRGSA-N 2 0 227.352 0.472 20 0 BCADRP C[C@@H]1C[C@@H]1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414787585 200763811 /nfs/dbraw/zinc/76/38/11/200763811.db2.gz ZGAQMBHIWAVZNP-VXGBXAGGSA-N 2 0 211.353 0.527 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NCC[NH2+]C(C)(C)C ZINC000414937989 200783679 /nfs/dbraw/zinc/78/36/79/200783679.db2.gz VUBLYFMVPPLBNT-GHMZBOCLSA-N 2 0 213.369 0.962 20 0 BCADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C[C@@H](C)[NH3+] ZINC000431012956 192901075 /nfs/dbraw/zinc/90/10/75/192901075.db2.gz HFVDDDBCNRBMPR-GHMZBOCLSA-N 2 0 245.367 0.197 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000629407584 361055536 /nfs/dbraw/zinc/05/55/36/361055536.db2.gz FDINJDNQGNNXAZ-ZDEQEGDKSA-N 2 0 223.364 0.953 20 0 BCADRP CCOC[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629389219 361035070 /nfs/dbraw/zinc/03/50/70/361035070.db2.gz WLZHCGQMQSKRQJ-SNVBAGLBSA-N 2 0 216.325 0.509 20 0 BCADRP C[C@@H]1OCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629399161 361048942 /nfs/dbraw/zinc/04/89/42/361048942.db2.gz NDFWUKSKLZAJMI-UWVGGRQHSA-N 2 0 202.298 0.119 20 0 BCADRP CCOC[C@H](C)[NH2+]CCOCC[NH2+]C ZINC000629404102 361050333 /nfs/dbraw/zinc/05/03/33/361050333.db2.gz JMFAGIMBNWUYSJ-JTQLQIEISA-N 2 0 204.314 0.237 20 0 BCADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629399840 361050747 /nfs/dbraw/zinc/05/07/47/361050747.db2.gz CNXYSJFTBMWVBZ-DGCLKSJQSA-N 2 0 241.379 0.424 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000629406837 361053673 /nfs/dbraw/zinc/05/36/73/361053673.db2.gz ZFMRXPWNYBLKAS-NWDGAFQWSA-N 3 0 241.379 0.437 20 0 BCADRP CC(C)C[C@H]([NH3+])CN[C@H]1CC[NH2+]C[C@@H]1C ZINC000414933841 219884153 /nfs/dbraw/zinc/88/41/53/219884153.db2.gz DSEBWXVHHHOJJH-SRVKXCTJSA-N 2 0 213.369 0.947 20 0 BCADRP C[NH+](C)CC[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])C(C)(C)C ZINC000424143919 200866119 /nfs/dbraw/zinc/86/61/19/200866119.db2.gz KEQXELKWYMHRMG-OUAUKWLOSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000629450833 361076620 /nfs/dbraw/zinc/07/66/20/361076620.db2.gz DPKXTAZHBUJZEK-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)[C@H]2CC[NH2+]2)C[C@H]1C[NH3+] ZINC000424083792 200857037 /nfs/dbraw/zinc/85/70/37/200857037.db2.gz YJBPFIGQUCDGEF-LMLFDSFASA-N 2 0 225.336 0.180 20 0 BCADRP [NH3+][C@H]1CCCCC[C@H]1NCC1([NH3+])CCOCC1 ZINC000629519049 361118825 /nfs/dbraw/zinc/11/88/25/361118825.db2.gz DTWDBJXQEAXOHI-NWDGAFQWSA-N 2 0 241.379 0.744 20 0 BCADRP C[C@@H](NCC1([NH3+])CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000629518941 361118906 /nfs/dbraw/zinc/11/89/06/361118906.db2.gz CTOPUYNCZQMNNY-VXGBXAGGSA-N 2 0 241.379 0.615 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)C1C[NH2+]C1 ZINC000629519856 361120902 /nfs/dbraw/zinc/12/09/02/361120902.db2.gz RQABBCHHOAHBGQ-MWLCHTKSSA-N 2 0 247.333 0.913 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)C2C[NH2+]C2)C[C@@H]1C[NH3+] ZINC000424277768 200896644 /nfs/dbraw/zinc/89/66/44/200896644.db2.gz DBTVRCGSSJXPCC-BBBLOLIVSA-N 2 0 225.336 0.038 20 0 BCADRP C[N@H+](CC1CC[NH2+]CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629501861 361101190 /nfs/dbraw/zinc/10/11/90/361101190.db2.gz QBLYSXUOLINHEU-PHIMTYICSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)C1C[NH2+]C1 ZINC000629519855 361120053 /nfs/dbraw/zinc/12/00/53/361120053.db2.gz RQABBCHHOAHBGQ-KOLCDFICSA-N 2 0 247.333 0.913 20 0 BCADRP C[C@H]1C[N@H+](CCOC2CCOCC2)CC[C@H]1[NH3+] ZINC000629510268 361107644 /nfs/dbraw/zinc/10/76/44/361107644.db2.gz PDHDLIHDOQNCTF-WCQYABFASA-N 2 0 242.363 0.851 20 0 BCADRP COC[C@H](CCC[NH3+])N[C@@H]1CC[NH2+]C12CCC2 ZINC000629516083 361110209 /nfs/dbraw/zinc/11/02/09/361110209.db2.gz WZVOEYIJJUVGSA-NWDGAFQWSA-N 2 0 241.379 0.615 20 0 BCADRP CCn1nnc(C)c1CN1C[C@H](C[NH3+])C[C@H]1C ZINC000629516446 361114043 /nfs/dbraw/zinc/11/40/43/361114043.db2.gz GAIXHRMQGPTNPY-KOLCDFICSA-N 2 0 237.351 0.776 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000629528300 361134955 /nfs/dbraw/zinc/13/49/55/361134955.db2.gz VZVJCOQKZZWFIJ-OBPIAQAESA-N 2 0 241.379 0.469 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[NH2+]CC[C@H]1C ZINC000629527923 361135019 /nfs/dbraw/zinc/13/50/19/361135019.db2.gz JNKBGCZGZOKXHJ-WRWGMCAJSA-N 2 0 211.353 0.715 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)C1CCOCC1 ZINC000629529127 361138101 /nfs/dbraw/zinc/13/81/01/361138101.db2.gz SFZCVPAFVUHQIB-LLVKDONJSA-N 2 0 230.352 0.627 20 0 BCADRP C[NH2+]CCC[NH+]1CCC(Cn2cncn2)CC1 ZINC000578989189 366687680 /nfs/dbraw/zinc/68/76/80/366687680.db2.gz UEZXWSRTODZUPM-UHFFFAOYSA-N 2 0 237.351 0.600 20 0 BCADRP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1nccn1C ZINC000629529731 361141384 /nfs/dbraw/zinc/14/13/84/361141384.db2.gz LWFXNOMVBDVBLB-LLVKDONJSA-N 2 0 240.351 0.697 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)c1nccn1C ZINC000629530124 361147622 /nfs/dbraw/zinc/14/76/22/361147622.db2.gz WBQXRBLVLDZXFY-SNVBAGLBSA-N 2 0 226.324 0.307 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629531521 361148667 /nfs/dbraw/zinc/14/86/67/361148667.db2.gz NWZVCWXWLVDHES-FRRDWIJNSA-N 3 0 241.379 0.200 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000629531405 361149312 /nfs/dbraw/zinc/14/93/12/361149312.db2.gz KBVBBLUIOHNLET-WDEREUQCSA-N 3 0 215.341 0.082 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000629531812 361150138 /nfs/dbraw/zinc/15/01/38/361150138.db2.gz YWRVLSHXLWZZML-RYUDHWBXSA-N 3 0 229.368 0.330 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCCC1 ZINC000375940833 181324644 /nfs/dbraw/zinc/32/46/44/181324644.db2.gz IGHIOLGIAYTSJV-WDEREUQCSA-N 2 0 237.347 0.468 20 0 BCADRP CN1CCOC[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000629532955 361156422 /nfs/dbraw/zinc/15/64/22/361156422.db2.gz ZXKAPHTYBRIPLD-WXRRBKDZSA-N 2 0 241.379 0.424 20 0 BCADRP CC(C)CC[C@H](CO)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000629523296 361124050 /nfs/dbraw/zinc/12/40/50/361124050.db2.gz LDJDFDLIRVHZPB-CMPLNLGQSA-N 2 0 214.353 0.981 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424477532 200929325 /nfs/dbraw/zinc/92/93/25/200929325.db2.gz LOYVLSPDFFWZMV-IVZWLZJFSA-N 2 0 228.340 0.150 20 0 BCADRP [NH3+]C1(C(=O)NCCC[NH+]2CCCCCC2)CC1 ZINC000237788313 181325712 /nfs/dbraw/zinc/32/57/12/181325712.db2.gz UXXUOIKELJSAHU-UHFFFAOYSA-N 2 0 239.363 0.860 20 0 BCADRP O=C(NCC[NH2+]C1CC1)NC[C@H]1CCCC[NH2+]1 ZINC000634269473 361165579 /nfs/dbraw/zinc/16/55/79/361165579.db2.gz HJAORJHYDHLULL-LLVKDONJSA-N 2 0 240.351 0.180 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)c1ccccc1CC[NH3+] ZINC000578997780 366689771 /nfs/dbraw/zinc/68/97/71/366689771.db2.gz VUMVLKLFQQSJOE-SNVBAGLBSA-N 2 0 235.331 0.655 20 0 BCADRP CC(C)COC[C@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613210735 361260790 /nfs/dbraw/zinc/26/07/90/361260790.db2.gz SASXBBQWEXUWDE-RWMBFGLXSA-N 2 0 242.363 0.171 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CCCC1 ZINC000368644351 181327066 /nfs/dbraw/zinc/32/70/66/181327066.db2.gz CVWSPJWORUPDER-SNVBAGLBSA-N 2 0 237.347 0.516 20 0 BCADRP CNC(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532353 361302244 /nfs/dbraw/zinc/30/22/44/361302244.db2.gz XXPAJMIVJVHQKN-UHFFFAOYSA-N 2 0 241.379 0.930 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCC1 ZINC000250940021 181328446 /nfs/dbraw/zinc/32/84/46/181328446.db2.gz ZECYPNUATXVLCZ-GHMZBOCLSA-N 2 0 237.347 0.611 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000428195256 201001639 /nfs/dbraw/zinc/00/16/39/201001639.db2.gz HNJAUJLZAJBEEV-GMTAPVOTSA-N 2 0 225.336 0.337 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000579239830 366743979 /nfs/dbraw/zinc/74/39/79/366743979.db2.gz OJFPUFJTBHMKKE-YTWAJWBKSA-N 2 0 223.320 0.077 20 0 BCADRP COC[C@@H](C)CN(CC[NH+](C)C)CC[NH+](C)C ZINC000579175434 366727403 /nfs/dbraw/zinc/72/74/03/366727403.db2.gz SNPOLWYCTNNYNV-ZDUSSCGKSA-N 2 0 245.411 0.694 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000428363624 201011634 /nfs/dbraw/zinc/01/16/34/201011634.db2.gz ZNONNEOFXVWFCN-GARJFASQSA-N 2 0 225.336 0.419 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000622044446 370672962 /nfs/dbraw/zinc/67/29/62/370672962.db2.gz FYHGCOXFSBWZAN-CMPLNLGQSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000428491367 201023991 /nfs/dbraw/zinc/02/39/91/201023991.db2.gz VHYVZHIQRDGGSH-GHMZBOCLSA-N 2 0 227.352 0.749 20 0 BCADRP C[C@H]([NH3+])CC[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000622044481 370677262 /nfs/dbraw/zinc/67/72/62/370677262.db2.gz HPPGHLYDAIBBNI-WCQGTBRESA-N 2 0 227.352 0.080 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000622044555 370677490 /nfs/dbraw/zinc/67/74/90/370677490.db2.gz KDHZXLSIXXEZJW-WXRRBKDZSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]CCCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000428491370 201024744 /nfs/dbraw/zinc/02/47/44/201024744.db2.gz VHYVZHIQRDGGSH-WDEREUQCSA-N 2 0 227.352 0.749 20 0 BCADRP CC[C@H](C(=O)N1CC[NH2+]CC1)[NH+](CC)CC ZINC000428480804 201025071 /nfs/dbraw/zinc/02/50/71/201025071.db2.gz MAGWJSYWSWQUNG-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000428518750 201026197 /nfs/dbraw/zinc/02/61/97/201026197.db2.gz SINLHUBJVCZDLZ-NSHDSACASA-N 2 0 227.352 0.526 20 0 BCADRP CC[C@@H](C(=O)NCCC[NH3+])[NH+](CC)CC ZINC000428491722 201026728 /nfs/dbraw/zinc/02/67/28/201026728.db2.gz ZJUWWOHJPQEFEL-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428950104 201051087 /nfs/dbraw/zinc/05/10/87/201051087.db2.gz DDVVLYLHULQPSB-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000429132792 201070295 /nfs/dbraw/zinc/07/02/95/201070295.db2.gz FMIUTMAJBGWRJN-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000429156113 201073800 /nfs/dbraw/zinc/07/38/00/201073800.db2.gz DSVIABNYWCJSCU-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000428954364 201052207 /nfs/dbraw/zinc/05/22/07/201052207.db2.gz IIEKNKOSGXTBCU-RYUDHWBXSA-N 2 0 241.379 0.831 20 0 BCADRP CCC[N@H+](C)CC(=O)NC1CCC([NH3+])CC1 ZINC000428977466 201054647 /nfs/dbraw/zinc/05/46/47/201054647.db2.gz NFZLBKUDNHSJBR-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000428981506 201055029 /nfs/dbraw/zinc/05/50/29/201055029.db2.gz QQONYHHDGJDOCX-SRVKXCTJSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000428981507 201055395 /nfs/dbraw/zinc/05/53/95/201055395.db2.gz QQONYHHDGJDOCX-TUAOUCFPSA-N 2 0 239.363 0.633 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000428975275 201055456 /nfs/dbraw/zinc/05/54/56/201055456.db2.gz HENVMAJQPWKKOZ-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000429030684 201061736 /nfs/dbraw/zinc/06/17/36/201061736.db2.gz RVPQVZXHTBYWED-DCAQKATOSA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@H](C)[NH+](C)C ZINC000614332211 363787278 /nfs/dbraw/zinc/78/72/78/363787278.db2.gz URHJKNGZAUWTNR-NWDGAFQWSA-N 2 0 241.379 0.879 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000429163557 201076200 /nfs/dbraw/zinc/07/62/00/201076200.db2.gz AFEBWDUHMUDGAK-GARJFASQSA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000429195677 201079307 /nfs/dbraw/zinc/07/93/07/201079307.db2.gz XIYHKZAJXKWABN-HBNTYKKESA-N 2 0 227.352 0.603 20 0 BCADRP C[C@H]1COCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629539045 361404987 /nfs/dbraw/zinc/40/49/87/361404987.db2.gz OZDWFLUTYYTEHM-WDEREUQCSA-N 2 0 216.325 0.366 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000629539223 361405248 /nfs/dbraw/zinc/40/52/48/361405248.db2.gz PADIDZZLWMSGFV-NEPJUHHUSA-N 3 0 229.368 0.459 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000429393399 201106992 /nfs/dbraw/zinc/10/69/92/201106992.db2.gz KFESKPJJYQUWNH-NHCYSSNCSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H](C)CCC[NH3+] ZINC000579353316 366767328 /nfs/dbraw/zinc/76/73/28/366767328.db2.gz ZBHOHQHUIYBQEQ-IUCAKERBSA-N 2 0 201.314 0.357 20 0 BCADRP C[C@H]([NH2+]CCOCCC[NH3+])[C@@H]1CCCOC1 ZINC000629537214 361400783 /nfs/dbraw/zinc/40/07/83/361400783.db2.gz JBPMNTIYZOPYKY-NWDGAFQWSA-N 2 0 230.352 0.757 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000429289535 201096930 /nfs/dbraw/zinc/09/69/30/201096930.db2.gz BZEWFNDIAVBHGW-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000429324019 201102629 /nfs/dbraw/zinc/10/26/29/201102629.db2.gz YYJCXJMKNVZBQM-GARJFASQSA-N 2 0 227.352 0.665 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000429323625 201102637 /nfs/dbraw/zinc/10/26/37/201102637.db2.gz XULIYTCCTWPUSF-NSHDSACASA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H]([NH2+]CCOCCC[NH3+])[C@@H]1CCOC1 ZINC000629538785 361403686 /nfs/dbraw/zinc/40/36/86/361403686.db2.gz NBUPKZPTQLGRGS-GHMZBOCLSA-N 2 0 216.325 0.366 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000429554773 201116121 /nfs/dbraw/zinc/11/61/21/201116121.db2.gz CGMVEMKBCXYAJZ-UMNHJUIQSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000629543727 361413252 /nfs/dbraw/zinc/41/32/52/361413252.db2.gz ALXBUPFKWQZPSW-QCNOEVLYSA-N 2 0 211.353 0.844 20 0 BCADRP [NH3+]CCCOCC[NH2+]C1CCN(C2CC2)CC1 ZINC000629539991 361413407 /nfs/dbraw/zinc/41/34/07/361413407.db2.gz SYNTWYBGOROQHT-UHFFFAOYSA-N 2 0 241.379 0.568 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000429648636 201124002 /nfs/dbraw/zinc/12/40/02/201124002.db2.gz XIWDJYZYJQSCTD-UHFFFAOYSA-N 2 0 241.379 0.960 20 0 BCADRP C[N@H+](CCNC(=O)NC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000579452070 366805326 /nfs/dbraw/zinc/80/53/26/366805326.db2.gz OTQIGUYHKYJDKU-JTQLQIEISA-N 2 0 240.351 0.132 20 0 BCADRP CC(C)[C@H](C(=O)N(C)CC[NH3+])[C@H](C)[NH3+] ZINC000579472922 366811560 /nfs/dbraw/zinc/81/15/60/366811560.db2.gz WSEJJPYKYIBHTR-IUCAKERBSA-N 2 0 201.314 0.023 20 0 BCADRP CO[C@H](C)[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629535558 361409656 /nfs/dbraw/zinc/40/96/56/361409656.db2.gz DVFUGTWILKADHD-NXEZZACHSA-N 2 0 204.314 0.365 20 0 BCADRP OC[C@H](N[C@@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000579473407 366820923 /nfs/dbraw/zinc/82/09/23/366820923.db2.gz UFERQVDSRWSFEJ-TUAOUCFPSA-N 2 0 228.336 0.116 20 0 BCADRP OC[C@H](N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000579473408 366821058 /nfs/dbraw/zinc/82/10/58/366821058.db2.gz UFERQVDSRWSFEJ-UTUOFQBUSA-N 2 0 228.336 0.116 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000579475456 366823627 /nfs/dbraw/zinc/82/36/27/366823627.db2.gz VTYPWSVMABGRHO-GMTAPVOTSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H](N[C@@H]1CC[NH2+][C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000629545674 361426518 /nfs/dbraw/zinc/42/65/18/361426518.db2.gz MIQLFQUESYUXHF-NNYUYHANSA-N 2 0 211.353 0.857 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629545633 361426769 /nfs/dbraw/zinc/42/67/69/361426769.db2.gz MHVOTIIOHDQJBU-LAVVOLMRSA-N 2 0 209.337 0.609 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000629546905 361429606 /nfs/dbraw/zinc/42/96/06/361429606.db2.gz ITZOMSUQCXCPCR-AVGNSLFASA-N 2 0 242.363 0.897 20 0 BCADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629555708 361449081 /nfs/dbraw/zinc/44/90/81/361449081.db2.gz BECVGFBLDWRCDW-RWMBFGLXSA-N 2 0 241.379 0.303 20 0 BCADRP C1C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[NH2+]1 ZINC000629553615 361438867 /nfs/dbraw/zinc/43/88/67/361438867.db2.gz BMVSODYCIXCVSY-WRWGMCAJSA-N 3 0 209.337 0.326 20 0 BCADRP COc1cncc(CN2CC[C@H]([NH3+])C[C@H]2C)n1 ZINC000629549586 361441268 /nfs/dbraw/zinc/44/12/68/361441268.db2.gz SKPZHCYGQMKAFY-ZJUUUORDSA-N 2 0 236.319 0.797 20 0 BCADRP CC(C)[NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629554386 361442023 /nfs/dbraw/zinc/44/20/23/361442023.db2.gz ZTJNKGPVQJOENO-SNVBAGLBSA-N 2 0 209.297 0.311 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCC[N@@H+]1C ZINC000629551965 361444260 /nfs/dbraw/zinc/44/42/60/361444260.db2.gz YQJDENBXVDVLJQ-SDDRHHMPSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H](NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000629556565 361450080 /nfs/dbraw/zinc/45/00/80/361450080.db2.gz SLBTZNDENFJXAG-AVGNSLFASA-N 2 0 241.379 0.173 20 0 BCADRP Cc1nccnc1[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629541385 361416382 /nfs/dbraw/zinc/41/63/82/361416382.db2.gz ZNLZZNIYORLGHH-LLVKDONJSA-N 2 0 238.335 0.801 20 0 BCADRP C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000629541711 361416485 /nfs/dbraw/zinc/41/64/85/361416485.db2.gz UTCUBHWXOAFESL-KKOKHZNYSA-N 2 0 211.353 0.857 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000629555807 361448405 /nfs/dbraw/zinc/44/84/05/361448405.db2.gz FWQNFABSMQBNFZ-HOSYDEDBSA-N 2 0 239.363 0.855 20 0 BCADRP C[C@@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC000629542054 361417648 /nfs/dbraw/zinc/41/76/48/361417648.db2.gz XSKTUJFPXDRWFK-BWOQGFTMSA-N 2 0 223.364 1.000 20 0 BCADRP COC[C@H]([NH2+]CCOCCC[NH3+])C1CC1 ZINC000629542474 361419468 /nfs/dbraw/zinc/41/94/68/361419468.db2.gz YVNHDWXAGSJXIM-NSHDSACASA-N 2 0 216.325 0.366 20 0 BCADRP C/C=C/C[C@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629583911 361469147 /nfs/dbraw/zinc/46/91/47/361469147.db2.gz LCXMOOXEXVGQGT-XCUNLHGCSA-N 2 0 242.363 0.360 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@H]1CCC[NH2+]C1)C2 ZINC000629584210 361469803 /nfs/dbraw/zinc/46/98/03/361469803.db2.gz RKMVFRPBCZBNCV-MELADBBJSA-N 3 0 237.391 0.917 20 0 BCADRP CO[C@@H](C[N@H+](C)CCOCC[NH3+])C1CCC1 ZINC000629581348 361470814 /nfs/dbraw/zinc/47/08/14/361470814.db2.gz XERVYMXUZSHGAN-LBPRGKRZSA-N 2 0 230.352 0.709 20 0 BCADRP CN(CCOCC[NH3+])CC(=O)NCC(C)(C)C ZINC000629580994 361471158 /nfs/dbraw/zinc/47/11/58/361471158.db2.gz JHLNEZCSKALLRZ-UHFFFAOYSA-N 2 0 245.367 0.056 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](CCN2CCCC2=O)CC1 ZINC000430947332 201160240 /nfs/dbraw/zinc/16/02/40/201160240.db2.gz DGGMOXNKJWBLFI-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@@H]1CC[NH2+]C1)C2 ZINC000629584724 361473335 /nfs/dbraw/zinc/47/33/35/361473335.db2.gz WWBYISOMYBSVHS-UPJWGTAASA-N 2 0 223.364 0.527 20 0 BCADRP COC[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584673 361473919 /nfs/dbraw/zinc/47/39/19/361473919.db2.gz DADJCHNHDGVAMX-SDDRHHMPSA-N 2 0 212.337 0.953 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000433169229 201162652 /nfs/dbraw/zinc/16/26/52/201162652.db2.gz VUNRRPMYQZRMHE-MNOVXSKESA-N 2 0 227.352 0.557 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000433172922 201162788 /nfs/dbraw/zinc/16/27/88/201162788.db2.gz DTCHHFAMMSEIJK-VWYCJHECSA-N 2 0 227.352 0.426 20 0 BCADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000629593188 361484939 /nfs/dbraw/zinc/48/49/39/361484939.db2.gz HQRBVDUVWNBVEJ-MELADBBJSA-N 3 0 237.391 0.917 20 0 BCADRP COC[C@]1(C)CN(C[C@@H]2CC[NH2+]C2)CCO1 ZINC000629594443 361486474 /nfs/dbraw/zinc/48/64/74/361486474.db2.gz CSRXJNWAZSFXHF-NEPJUHHUSA-N 2 0 228.336 0.333 20 0 BCADRP c1cc2c(cc1CN[C@@H]1CC[NH2+]C1)C[NH2+]CC2 ZINC000629594522 361486877 /nfs/dbraw/zinc/48/68/77/361486877.db2.gz VHFQGPUGCZOKDY-CQSZACIVSA-N 3 0 231.343 0.784 20 0 BCADRP CCN(CC[NH3+])CCCc1nc(C)no1 ZINC000629558236 361452756 /nfs/dbraw/zinc/45/27/56/361452756.db2.gz UXWQWYQXUDJXSU-UHFFFAOYSA-N 2 0 212.297 0.591 20 0 BCADRP [NH3+]CCCN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563004 361457193 /nfs/dbraw/zinc/45/71/93/361457193.db2.gz ORPYLSWOUMKNKN-IUCAKERBSA-N 2 0 239.285 0.794 20 0 BCADRP CC[C@H](C(=O)N(C)[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000629612500 361499518 /nfs/dbraw/zinc/49/95/18/361499518.db2.gz DLPULAFFFLUOKT-VHSXEESVSA-N 2 0 213.325 0.147 20 0 BCADRP CC[C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000629610422 361500494 /nfs/dbraw/zinc/50/04/94/361500494.db2.gz CPBFLSMJDXCROP-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@H](C(=O)N[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000629610421 361500705 /nfs/dbraw/zinc/50/07/05/361500705.db2.gz CPBFLSMJDXCROP-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@H](C(=O)NC[C@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000629611734 361501029 /nfs/dbraw/zinc/50/10/29/361501029.db2.gz CXRHNIXTXZXWOW-DGCLKSJQSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@H]([NH3+])C1)[NH+](C)C ZINC000629611337 361501553 /nfs/dbraw/zinc/50/15/53/361501553.db2.gz RKNJNLRVQRWISC-VHSXEESVSA-N 2 0 213.325 0.276 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000629611334 361501771 /nfs/dbraw/zinc/50/17/71/361501771.db2.gz RKNJNLRVQRWISC-NXEZZACHSA-N 2 0 213.325 0.276 20 0 BCADRP CC[C@H](C(=O)NCC([NH3+])(CC)CC)[NH+](C)C ZINC000629612244 361502049 /nfs/dbraw/zinc/50/20/49/361502049.db2.gz YVFZSVZTIDNJAJ-SNVBAGLBSA-N 2 0 229.368 0.960 20 0 BCADRP CC[C@H](C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[NH+](C)C ZINC000629612233 361502142 /nfs/dbraw/zinc/50/21/42/361502142.db2.gz YLXUINAYXMTUNS-OUAUKWLOSA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)[NH+](C)C ZINC000629612040 361502277 /nfs/dbraw/zinc/50/22/77/361502277.db2.gz PVSKETONHJXMPU-OUAUKWLOSA-N 2 0 227.352 0.522 20 0 BCADRP CC[C@@H](C(=O)NCC([NH3+])(CC)CC)[NH+](C)C ZINC000629612243 361502592 /nfs/dbraw/zinc/50/25/92/361502592.db2.gz YVFZSVZTIDNJAJ-JTQLQIEISA-N 2 0 229.368 0.960 20 0 BCADRP CC[C@H](C(=O)NCC[NH2+]C1CC1)[NH+](C)C ZINC000629615240 361503985 /nfs/dbraw/zinc/50/39/85/361503985.db2.gz TUIPPAJZBHSCIY-SNVBAGLBSA-N 2 0 213.325 0.195 20 0 BCADRP CO[C@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629614668 361504025 /nfs/dbraw/zinc/50/40/25/361504025.db2.gz BHXHYJPWRNSUMI-SRVKXCTJSA-N 2 0 228.336 0.210 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)[NH+](C)C ZINC000629615390 361504228 /nfs/dbraw/zinc/50/42/28/361504228.db2.gz OMKTULVUTOZJSH-IJLUTSLNSA-N 2 0 241.379 0.770 20 0 BCADRP CC[C@H](C(=O)N1CCC(CC[NH3+])CC1)[NH+](C)C ZINC000629615963 361504964 /nfs/dbraw/zinc/50/49/64/361504964.db2.gz USVDIPPCGQSGCN-GFCCVEGCSA-N 2 0 241.379 0.914 20 0 BCADRP CC[C@@H](C(=O)N1CC2CC1(C[NH3+])C2)[NH+](C)C ZINC000629613653 361507669 /nfs/dbraw/zinc/50/76/69/361507669.db2.gz QFIDNHYWKXBZPA-YZRBJQDESA-N 2 0 225.336 0.276 20 0 BCADRP CO[C@H]1C[C@@H](C[NH2+]C[C@@H](O)CN(C)C2CC2)C1 ZINC000629617344 361512109 /nfs/dbraw/zinc/51/21/09/361512109.db2.gz VSZRCRZNBWJPPP-RTXFEEFZSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@H]1[C@H](C)N(C(=O)C2([NH+](C)C)CC2)CCN1C ZINC000613227570 361541045 /nfs/dbraw/zinc/54/10/45/361541045.db2.gz TUYANXMKNCZRSO-QWRGUYRKSA-N 2 0 239.363 0.632 20 0 BCADRP C[C@H]([NH3+])CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000163731162 361563585 /nfs/dbraw/zinc/56/35/85/361563585.db2.gz BJIVHFDGWMCVEZ-NWDGAFQWSA-N 2 0 211.353 0.894 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000629660158 361564676 /nfs/dbraw/zinc/56/46/76/361564676.db2.gz OVTLBBVWOMUGEI-NNYUYHANSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)CN1 ZINC000629660313 361565844 /nfs/dbraw/zinc/56/58/44/361565844.db2.gz RJRRLUUTVOSUDB-ZYHUDNBSSA-N 2 0 211.353 0.716 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000629653185 361553143 /nfs/dbraw/zinc/55/31/43/361553143.db2.gz HSTSBYPFUDMAGI-QWHCGFSZSA-N 3 0 243.395 0.542 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000629653793 361554753 /nfs/dbraw/zinc/55/47/53/361554753.db2.gz NRYGZPWKOPCJBP-LBPRGKRZSA-N 3 0 229.368 0.154 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000629651378 361555944 /nfs/dbraw/zinc/55/59/44/361555944.db2.gz VIQZPXBIUJZKSN-QJPTWQEYSA-N 2 0 223.364 0.859 20 0 BCADRP C[C@H]1C[C@H](C[N@H+](C)CCOCC[NH3+])CC[NH2+]1 ZINC000629663336 361595482 /nfs/dbraw/zinc/59/54/82/361595482.db2.gz IJYVBEWMSRMUNN-NWDGAFQWSA-N 3 0 229.368 0.282 20 0 BCADRP C[C@H]1C[C@@H](C[N@H+](C)CCOCC[NH3+])CC[NH2+]1 ZINC000629663339 361595782 /nfs/dbraw/zinc/59/57/82/361595782.db2.gz IJYVBEWMSRMUNN-RYUDHWBXSA-N 3 0 229.368 0.282 20 0 BCADRP C[C@@H]1C[C@@H](C[NH2+]CCOCCC[NH3+])CC[NH2+]1 ZINC000629677033 361599385 /nfs/dbraw/zinc/59/93/85/361599385.db2.gz AGAQLSBSCYZHDD-NEPJUHHUSA-N 3 0 229.368 0.330 20 0 BCADRP Cc1ccc(O)c(C[N@H+](C)CCOCC[NH3+])n1 ZINC000629665945 361587745 /nfs/dbraw/zinc/58/77/45/361587745.db2.gz YRIPSFYLGYZICU-UHFFFAOYSA-N 2 0 239.319 0.503 20 0 BCADRP Cn1ccc(C[N@H+](C)CCOCC[NH3+])c1 ZINC000629667194 361588971 /nfs/dbraw/zinc/58/89/71/361588971.db2.gz VMZNFUJXZICIPR-UHFFFAOYSA-N 2 0 211.309 0.432 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000435098541 201249474 /nfs/dbraw/zinc/24/94/74/201249474.db2.gz LYWMLOQRWLGDOS-CYBMUJFWSA-N 2 0 241.379 0.819 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CC[C@H](C)[NH3+] ZINC000434681614 201233046 /nfs/dbraw/zinc/23/30/46/201233046.db2.gz QGSIDZNKAGUJHQ-HBNTYKKESA-N 2 0 227.352 0.842 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000434697416 201233197 /nfs/dbraw/zinc/23/31/97/201233197.db2.gz ONEBIJKOORCXIB-NHCYSSNCSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000434682311 201234024 /nfs/dbraw/zinc/23/40/24/201234024.db2.gz VUJQZIQAQDETFM-PWSUYJOCSA-N 2 0 239.363 0.809 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)[NH+](C)C ZINC000434708094 201237415 /nfs/dbraw/zinc/23/74/15/201237415.db2.gz UISCCZSTPGPNRC-TUAOUCFPSA-N 2 0 241.379 0.829 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000434712118 201237631 /nfs/dbraw/zinc/23/76/31/201237631.db2.gz UEDDKRYXIAPOLE-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP [NH3+]C1CCC(NC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000051694746 181341522 /nfs/dbraw/zinc/34/15/22/181341522.db2.gz HGIUGLGDAOUPML-ILDUYXDCSA-N 2 0 225.336 0.515 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000154618756 201285267 /nfs/dbraw/zinc/28/52/67/201285267.db2.gz JMJYSXAICQQBOT-QWRGUYRKSA-N 2 0 229.368 0.544 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000435756989 201286525 /nfs/dbraw/zinc/28/65/25/201286525.db2.gz WSDSSRIELTZZQG-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH2+]C ZINC000154731735 201291017 /nfs/dbraw/zinc/29/10/17/201291017.db2.gz KQJBUGZYMYKUAD-AEJSXWLSSA-N 2 0 215.341 0.332 20 0 BCADRP C[NH2+]CCCN1CC[N@H+](CCOC)[C@H](C)C1 ZINC000435872711 201291581 /nfs/dbraw/zinc/29/15/81/201291581.db2.gz QEDIVSVOWZNVDU-GFCCVEGCSA-N 2 0 229.368 0.248 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435887645 201296564 /nfs/dbraw/zinc/29/65/64/201296564.db2.gz ILRNUQNNKWELPQ-NTZNESFSSA-N 2 0 239.363 0.476 20 0 BCADRP CCOCC[NH+]1CCN(CCC[NH2+]C)CC1 ZINC000435877622 201292920 /nfs/dbraw/zinc/29/29/20/201292920.db2.gz SOKXUDXNQBAGJB-UHFFFAOYSA-N 2 0 229.368 0.250 20 0 BCADRP [NH3+]C1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000358319955 181344105 /nfs/dbraw/zinc/34/41/05/181344105.db2.gz DZIGISUEDJPOOA-UHFFFAOYSA-N 2 0 248.330 0.833 20 0 BCADRP C[C@@H](C(=O)NCC[NH+](C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000155346392 201324635 /nfs/dbraw/zinc/32/46/35/201324635.db2.gz OFJWXRJFGFFQKU-UTUOFQBUSA-N 2 0 241.379 0.926 20 0 BCADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C1C[NH2+]C1 ZINC000336575820 181344821 /nfs/dbraw/zinc/34/48/21/181344821.db2.gz YSKQQSUEHXJSNH-LRSDLPTKSA-N 2 0 237.347 0.228 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000155695325 201345052 /nfs/dbraw/zinc/34/50/52/201345052.db2.gz PVXFZGHFFQRGIC-FOGDFJRCSA-N 2 0 241.379 0.959 20 0 BCADRP [NH3+]CC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973399 181350924 /nfs/dbraw/zinc/35/09/24/181350924.db2.gz IFYPRXGDNGQLFJ-SNVBAGLBSA-N 2 0 211.309 0.032 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000627245622 363849329 /nfs/dbraw/zinc/84/93/29/363849329.db2.gz QVTUWKPORSIIAV-XWLWVQCSSA-N 2 0 240.351 0.129 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000627246117 363849517 /nfs/dbraw/zinc/84/95/17/363849517.db2.gz WICLXEWFNLUMNL-HOSYDEDBSA-N 2 0 240.351 0.117 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)CC1([NH3+])CCC1 ZINC000094295365 487527814 /nfs/dbraw/zinc/52/78/14/487527814.db2.gz PZKVHMFLOOFNQG-LLVKDONJSA-N 2 0 239.363 0.811 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C)C1 ZINC000170757651 364167224 /nfs/dbraw/zinc/16/72/24/364167224.db2.gz MXYQMHCLGKTFNW-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]C(C)(C)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630605332 364322971 /nfs/dbraw/zinc/32/29/71/364322971.db2.gz IETOIMBPYNDPHQ-VIFPVBQESA-N 2 0 223.324 0.485 20 0 BCADRP C[NH2+][C@@H](C)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630605178 364324917 /nfs/dbraw/zinc/32/49/17/364324917.db2.gz GJSRAEPQEYATRF-IUCAKERBSA-N 2 0 209.297 0.311 20 0 BCADRP c1c(C[C@@H]2CC[NH2+]C2)nnn1[C@H]1CCC[NH2+]C1 ZINC000630595918 364310154 /nfs/dbraw/zinc/31/01/54/364310154.db2.gz KUEWLDMPYRTLAJ-JQWIXIFHSA-N 2 0 235.335 0.355 20 0 BCADRP CC[C@@]1(C(=O)N2CC[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000134367139 364401751 /nfs/dbraw/zinc/40/17/51/364401751.db2.gz LCWXSHFTZPBNCX-ONGXEEELSA-N 2 0 211.309 0.078 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000375285722 181365469 /nfs/dbraw/zinc/36/54/69/181365469.db2.gz FAGORJHHSZDXLN-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H](CNC(=O)C1([NH+](C)C)CC1)C[NH+](C)C ZINC000615175135 364591717 /nfs/dbraw/zinc/59/17/17/364591717.db2.gz FFGBFUDYRKGBGT-JTQLQIEISA-N 2 0 227.352 0.395 20 0 BCADRP [NH3+]CCC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000374446322 181367004 /nfs/dbraw/zinc/36/70/04/181367004.db2.gz IOLJPQBDPXPLFR-OLZOCXBDSA-N 2 0 247.342 0.536 20 0 BCADRP [NH3+]CCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000037023782 181368628 /nfs/dbraw/zinc/36/86/28/181368628.db2.gz MUROODXZZZXBHU-UWVGGRQHSA-N 2 0 211.309 0.078 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000615310746 364685436 /nfs/dbraw/zinc/68/54/36/364685436.db2.gz XUXYPARZLJGXNB-NWDGAFQWSA-N 2 0 241.379 0.879 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000615310747 364685452 /nfs/dbraw/zinc/68/54/52/364685452.db2.gz XUXYPARZLJGXNB-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP [NH3+]CCNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000418302029 219952497 /nfs/dbraw/zinc/95/24/97/219952497.db2.gz ZQRWKWNZFRQDAM-UHFFFAOYSA-N 2 0 242.367 0.557 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000573325822 364800563 /nfs/dbraw/zinc/80/05/63/364800563.db2.gz SZYVWNYPVLHXAI-LPEHRKFASA-N 2 0 227.352 0.603 20 0 BCADRP C[C@H]1CCN(Cc2ccn(C)n2)C[C@@H]1C[NH3+] ZINC000167653337 364802342 /nfs/dbraw/zinc/80/23/42/364802342.db2.gz CXIULNXZDVJENK-QWRGUYRKSA-N 2 0 222.336 0.837 20 0 BCADRP CCN(C)C[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1OC ZINC000573335848 364803460 /nfs/dbraw/zinc/80/34/60/364803460.db2.gz CAXJHDXFJFXGAA-QJPTWQEYSA-N 2 0 230.352 0.456 20 0 BCADRP [NH3+]CCCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000037812737 181371089 /nfs/dbraw/zinc/37/10/89/181371089.db2.gz YFKNVVMKMRKVHX-NSHDSACASA-N 2 0 225.336 0.422 20 0 BCADRP [NH3+]CCCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812625 181371192 /nfs/dbraw/zinc/37/11/92/181371192.db2.gz XNYJLDFKTGFSTE-SNVBAGLBSA-N 2 0 211.309 0.032 20 0 BCADRP [NH3+]CCCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000237906663 181371198 /nfs/dbraw/zinc/37/11/98/181371198.db2.gz ZMTSWTVHLYKPGP-GFCCVEGCSA-N 2 0 239.363 0.670 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000573566059 364862926 /nfs/dbraw/zinc/86/29/26/364862926.db2.gz VNEPXQKUXGSWNB-GXSJLCMTSA-N 2 0 213.325 0.372 20 0 BCADRP Cc1ncc(C[NH2+][C@H](C)CC[S@@](C)=O)n1C ZINC000573459929 364840797 /nfs/dbraw/zinc/84/07/97/364840797.db2.gz QWVVPWDICGVCPD-JDNHERCYSA-N 2 0 243.376 0.975 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000573487232 364845491 /nfs/dbraw/zinc/84/54/91/364845491.db2.gz BNMDTEZGNLUQRJ-NWDGAFQWSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000573488003 364845595 /nfs/dbraw/zinc/84/55/95/364845595.db2.gz MCPMLMIFBOKFJX-XKSSXDPKSA-N 2 0 201.314 0.356 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000573487233 364845706 /nfs/dbraw/zinc/84/57/06/364845706.db2.gz BNMDTEZGNLUQRJ-RYUDHWBXSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000573681746 364890761 /nfs/dbraw/zinc/89/07/61/364890761.db2.gz UFFMNWUGSQQHEO-QWRGUYRKSA-N 2 0 227.352 0.476 20 0 BCADRP [NH3+]CCCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000037042460 181371390 /nfs/dbraw/zinc/37/13/90/181371390.db2.gz NUNWBQJELUNCLT-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP CC(C)(O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000069729987 541386221 /nfs/dbraw/zinc/38/62/21/541386221.db2.gz NUJIYCDZWINXDN-UHFFFAOYSA-N 2 0 200.326 0.818 20 0 BCADRP [NH3+]CCCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000374624419 181371818 /nfs/dbraw/zinc/37/18/18/181371818.db2.gz QCAPYURFQMUIJH-DCAQKATOSA-N 2 0 225.336 0.311 20 0 BCADRP [NH3+]CCCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726748 181372850 /nfs/dbraw/zinc/37/28/50/181372850.db2.gz SUOAUHSTMZGWGL-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000573799630 364917813 /nfs/dbraw/zinc/91/78/13/364917813.db2.gz YLRCNBBKZFQCOU-NEPJUHHUSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000573682610 364891905 /nfs/dbraw/zinc/89/19/05/364891905.db2.gz LNGYINMOELSBSJ-JTQLQIEISA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000573699576 364896481 /nfs/dbraw/zinc/89/64/81/364896481.db2.gz SRVRUPUOVWGWEN-WDEREUQCSA-N 2 0 227.352 0.583 20 0 BCADRP O=C([C@H]1CCC[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334201869 541412532 /nfs/dbraw/zinc/41/25/32/541412532.db2.gz OMSAVVDFFRUSHK-DGCLKSJQSA-N 2 0 237.347 0.341 20 0 BCADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334201870 541412626 /nfs/dbraw/zinc/41/26/26/541412626.db2.gz OMSAVVDFFRUSHK-WCQYABFASA-N 2 0 237.347 0.341 20 0 BCADRP C[C@H]([NH3+])c1ccc(CNC(=O)C2([NH3+])CC2)cc1 ZINC000573913110 364942303 /nfs/dbraw/zinc/94/23/03/364942303.db2.gz SYUCBNJQLUJIJR-VIFPVBQESA-N 2 0 233.315 0.814 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)NC[C@@H](C)C[NH3+] ZINC000573967235 364956212 /nfs/dbraw/zinc/95/62/12/364956212.db2.gz MBQTXENXNRFLFC-NSHDSACASA-N 2 0 249.358 0.773 20 0 BCADRP COC(=O)CC1([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000573972269 364957069 /nfs/dbraw/zinc/95/70/69/364957069.db2.gz HSLZSIFKSCYGTK-UHFFFAOYSA-N 2 0 226.320 0.671 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000574219094 365013705 /nfs/dbraw/zinc/01/37/05/365013705.db2.gz NFCODETUVVFJGK-TUAOUCFPSA-N 3 0 211.353 0.846 20 0 BCADRP [NH3+]CCCN(Cc1ccccc1)C(=O)[C@H]1CC[NH2+]1 ZINC000358933975 181380399 /nfs/dbraw/zinc/38/03/99/181380399.db2.gz MANYVMAIXFDRBX-CYBMUJFWSA-N 2 0 247.342 0.726 20 0 BCADRP [NH3+]CCCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000377164375 181380870 /nfs/dbraw/zinc/38/08/70/181380870.db2.gz HQYPNPGZCMQEDS-ZYANWLCNSA-N 2 0 239.363 0.605 20 0 BCADRP [NH3+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000368430162 181382233 /nfs/dbraw/zinc/38/22/33/181382233.db2.gz UAGKVQKPOAHDNF-QWRGUYRKSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]CCCNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000304226918 181382294 /nfs/dbraw/zinc/38/22/94/181382294.db2.gz JKJBBINTCNWDFI-LLVKDONJSA-N 2 0 227.352 0.749 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)N(C)C ZINC000168986336 365048310 /nfs/dbraw/zinc/04/83/10/365048310.db2.gz BSCIRPNBNUPIBX-VHSXEESVSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)[C@H]([NH3+])CC(F)F)C1CC1 ZINC000574400223 365054189 /nfs/dbraw/zinc/05/41/89/365054189.db2.gz CMMFHMRAKLLTIJ-XCBNKYQSSA-N 2 0 235.278 0.213 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000574451438 365060664 /nfs/dbraw/zinc/06/06/64/365060664.db2.gz QBHUUMUJIWWPAD-ZYHUDNBSSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000574464747 365068912 /nfs/dbraw/zinc/06/89/12/365068912.db2.gz ROFOCAHCOBWSOZ-QMMMGPOBSA-N 2 0 219.288 0.836 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000574279525 365027202 /nfs/dbraw/zinc/02/72/02/365027202.db2.gz KFQMEDQGZKDPOF-MMWGEVLESA-N 2 0 227.352 0.617 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000574320884 365036333 /nfs/dbraw/zinc/03/63/33/365036333.db2.gz LIRXFRRWMJVTBJ-NEPJUHHUSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]CCCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000574331466 365038201 /nfs/dbraw/zinc/03/82/01/365038201.db2.gz CWHABKRCHOYOPJ-UHFFFAOYSA-N 2 0 228.340 0.106 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000433128349 192985284 /nfs/dbraw/zinc/98/52/84/192985284.db2.gz AJHWFLGZVOIBKB-LLVKDONJSA-N 2 0 241.379 0.723 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000433116386 192985319 /nfs/dbraw/zinc/98/53/19/192985319.db2.gz KUKVNNGBPKKLSW-CMPLNLGQSA-N 2 0 229.368 0.707 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000574634943 365107384 /nfs/dbraw/zinc/10/73/84/365107384.db2.gz HKDCFTAJCZMERQ-GUBZILKMSA-N 2 0 230.356 0.395 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH2+]C3)[C@@H]2C1 ZINC000574689495 365120782 /nfs/dbraw/zinc/12/07/82/365120782.db2.gz JVKNFRXJFDQDJP-GRYCIOLGSA-N 2 0 237.347 0.149 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000574516736 365078781 /nfs/dbraw/zinc/07/87/81/365078781.db2.gz CXIDXWJDBYDJGA-AEJSXWLSSA-N 2 0 228.340 0.116 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000575044523 365175493 /nfs/dbraw/zinc/17/54/93/365175493.db2.gz AXVYZVXIIDYURM-SNVBAGLBSA-N 2 0 227.352 0.429 20 0 BCADRP CC(C)([NH3+])CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000575058245 365181360 /nfs/dbraw/zinc/18/13/60/365181360.db2.gz OHZATOVVLWFGLN-UHFFFAOYSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]CCC1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000574766693 365139539 /nfs/dbraw/zinc/13/95/39/365139539.db2.gz ZPNCEJYXDPVZEP-GFCCVEGCSA-N 2 0 239.363 0.573 20 0 BCADRP C[NH2+]Cc1ccccc1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000444160616 193038028 /nfs/dbraw/zinc/03/80/28/193038028.db2.gz WWJDRBMVLVVAOV-GFCCVEGCSA-N 2 0 249.314 0.333 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C[C@@H](C)[NH2+]1 ZINC000444160321 193038305 /nfs/dbraw/zinc/03/83/05/193038305.db2.gz YQFOOBVPIGYASW-HNCHTBHHSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000575122218 365210678 /nfs/dbraw/zinc/21/06/78/365210678.db2.gz CAFKCAZFDLEAEC-CKYFFXLPSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000575124870 365213117 /nfs/dbraw/zinc/21/31/17/365213117.db2.gz KVVDKKZURRYZIL-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000575198650 365240000 /nfs/dbraw/zinc/24/00/00/365240000.db2.gz SAVGMAOLCZUZBI-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444181824 193039592 /nfs/dbraw/zinc/03/95/92/193039592.db2.gz JXKRIXUMVLIWNC-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000444180242 193039659 /nfs/dbraw/zinc/03/96/59/193039659.db2.gz HENHVTASWFKRPQ-NQBHXWOUSA-N 2 0 237.347 0.054 20 0 BCADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000444168553 193039691 /nfs/dbraw/zinc/03/96/91/193039691.db2.gz PCSQAVOPNWGIFV-MBNYWOFBSA-N 2 0 249.358 0.293 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444192256 193041802 /nfs/dbraw/zinc/04/18/02/193041802.db2.gz YNSMAICPZHYSEZ-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000444267905 193042671 /nfs/dbraw/zinc/04/26/71/193042671.db2.gz RDHXDUXEUCMUJA-QJPTWQEYSA-N 2 0 237.347 0.434 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH2+]2)C[C@H]1C ZINC000444274056 193043268 /nfs/dbraw/zinc/04/32/68/193043268.db2.gz WYRNVDRZXWGVRK-GRYCIOLGSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H](NC(=O)[C@H]1CC[NH2+]1)C(C)(C)C[NH+](C)C ZINC000444261118 193043419 /nfs/dbraw/zinc/04/34/19/193043419.db2.gz VUQRMXHDMOLCHE-VHSXEESVSA-N 2 0 227.352 0.441 20 0 BCADRP [NH3+]C1(C(=O)NCC[C@H]2CCC[NH2+]2)CCCC1 ZINC000444263455 193043838 /nfs/dbraw/zinc/04/38/38/193043838.db2.gz GIFGUPAAZHADDN-SNVBAGLBSA-N 2 0 225.336 0.516 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444269233 193043977 /nfs/dbraw/zinc/04/39/77/193043977.db2.gz WUPVUNOVLKCPSE-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]CC1(C(=O)NCC[C@H]2CCC[NH2+]2)CCCC1 ZINC000444262401 193044148 /nfs/dbraw/zinc/04/41/48/193044148.db2.gz KBTGRGFEQYERMY-LLVKDONJSA-N 2 0 239.363 0.764 20 0 BCADRP CC[C@@H]1C[C@H]1[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000379786953 365269926 /nfs/dbraw/zinc/26/99/26/365269926.db2.gz IDXUOOLJPAYNDZ-ADEWGFFLSA-N 2 0 212.337 0.830 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000575315782 365287256 /nfs/dbraw/zinc/28/72/56/365287256.db2.gz DAFSTYYFCSQHKA-GXSJLCMTSA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000575354358 365300480 /nfs/dbraw/zinc/30/04/80/365300480.db2.gz JRKUCMSFWBHHBD-GMXVVIOVSA-N 2 0 241.379 0.877 20 0 BCADRP CC[C@H](O)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000580769594 366869053 /nfs/dbraw/zinc/86/90/53/366869053.db2.gz XFKSJUFJZOBKKG-ZDUSSCGKSA-N 2 0 243.395 0.373 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000575923853 365415079 /nfs/dbraw/zinc/41/50/79/365415079.db2.gz NNLHJLDZCQHOGT-HBNTYKKESA-N 2 0 225.336 0.276 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000575921346 365415330 /nfs/dbraw/zinc/41/53/30/365415330.db2.gz SWOLSCIHLOKHCS-NWDGAFQWSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000575923852 365416596 /nfs/dbraw/zinc/41/65/96/365416596.db2.gz NNLHJLDZCQHOGT-GARJFASQSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C[NH2+]CC2CC2)CC[NH2+]1 ZINC000575867458 365394617 /nfs/dbraw/zinc/39/46/17/365394617.db2.gz SKQUAKQRASETLT-KOLCDFICSA-N 2 0 225.336 0.243 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000575869625 365395890 /nfs/dbraw/zinc/39/58/90/365395890.db2.gz DTBUWLWSAXOFJN-NGZCFLSTSA-N 2 0 215.341 0.746 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000575804631 365369891 /nfs/dbraw/zinc/36/98/91/365369891.db2.gz WFXBFMQLKWXRRB-DTWKUNHWSA-N 2 0 201.314 0.228 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(N)=O)C1 ZINC000173881504 365453750 /nfs/dbraw/zinc/45/37/50/365453750.db2.gz CTMMVURLSMHCFE-UWVGGRQHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@H]([NH3+])C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000576041116 365459953 /nfs/dbraw/zinc/45/99/53/365459953.db2.gz FGWRYKKGASPGCW-IUCAKERBSA-N 2 0 221.304 0.670 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](CO)C2CC2)C1 ZINC000576122054 365494700 /nfs/dbraw/zinc/49/47/00/365494700.db2.gz VFWUTJGNWXZDGX-IJLUTSLNSA-N 2 0 212.337 0.864 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000579607612 366906241 /nfs/dbraw/zinc/90/62/41/366906241.db2.gz HEJJKKAMYXUJPR-GRYCIOLGSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)N(C)CCC[NH3+] ZINC000579734037 366998086 /nfs/dbraw/zinc/99/80/86/366998086.db2.gz GHSJIAOHQJAXMO-SNVBAGLBSA-N 2 0 230.356 0.494 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000579709127 366986890 /nfs/dbraw/zinc/98/68/90/366986890.db2.gz WQZGUAMNRREDKW-WPRPVWTQSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCC[NH2+]C1CC1 ZINC000579714089 366989123 /nfs/dbraw/zinc/98/91/23/366989123.db2.gz VFYDRVVTPHLJRC-SECBINFHSA-N 2 0 225.336 0.385 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000579835496 367039389 /nfs/dbraw/zinc/03/93/89/367039389.db2.gz BVPCXCGPZNYHJQ-TXEJJXNPSA-N 2 0 233.315 0.499 20 0 BCADRP CC(C)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000579853028 367051722 /nfs/dbraw/zinc/05/17/22/367051722.db2.gz ABIUYGZFXROWPX-QWRGUYRKSA-N 2 0 225.336 0.276 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000579853765 367053199 /nfs/dbraw/zinc/05/31/99/367053199.db2.gz AKSXQTHWIKMLKA-NEPJUHHUSA-N 2 0 241.379 0.926 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N2C[C@H]3[C@@H](C2)CCC[C@H]3[NH3+])C1 ZINC000579961605 367105039 /nfs/dbraw/zinc/10/50/39/367105039.db2.gz MCDSYCKEXFYTEP-LDMBFOFVSA-N 2 0 237.347 0.310 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000579972481 367109584 /nfs/dbraw/zinc/10/95/84/367109584.db2.gz YMSUQVDFXPBIPU-NSHDSACASA-N 2 0 249.358 0.972 20 0 BCADRP C[NH2+]CCCNC(=O)NCCC[NH2+]C(C)C ZINC000580942160 367211587 /nfs/dbraw/zinc/21/15/87/367211587.db2.gz BNWNWLLZXSFLMN-UHFFFAOYSA-N 2 0 230.356 0.283 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000580952885 367215516 /nfs/dbraw/zinc/21/55/16/367215516.db2.gz ZPZHLOXIFXDALT-IEBDPFPHSA-N 2 0 225.336 0.310 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCOC[C@@H]1C ZINC000381063514 367345314 /nfs/dbraw/zinc/34/53/14/367345314.db2.gz LWBHNMZSBUWMEY-TUAOUCFPSA-N 2 0 230.352 0.314 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[C@@H](O)[C@H](C)C1 ZINC000381084337 367348391 /nfs/dbraw/zinc/34/83/91/367348391.db2.gz SIJGZIDUHOKPNS-GRYCIOLGSA-N 2 0 230.352 0.002 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000581251731 367308853 /nfs/dbraw/zinc/30/88/53/367308853.db2.gz JLBOPSVCSDKLBK-NQBHXWOUSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000381344944 367384406 /nfs/dbraw/zinc/38/44/06/367384406.db2.gz YSHSBUHSPAGXMU-GUBZILKMSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000381346543 367384508 /nfs/dbraw/zinc/38/45/08/367384508.db2.gz ZDNDUSDZVBBCMW-GXSJLCMTSA-N 2 0 213.325 0.087 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000381441367 367404291 /nfs/dbraw/zinc/40/42/91/367404291.db2.gz ZHIXWOZXSDLZNO-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)CCCC[NH3+] ZINC000381444447 367404389 /nfs/dbraw/zinc/40/43/89/367404389.db2.gz AQOBVCPPZCGELF-NSHDSACASA-N 2 0 215.341 0.605 20 0 BCADRP C[NH2+]CCCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000381513711 367422686 /nfs/dbraw/zinc/42/26/86/367422686.db2.gz YWZSWNFVHHBXEF-JTQLQIEISA-N 2 0 213.325 0.102 20 0 BCADRP CC(C)(C[NH3+])NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000381547110 367428366 /nfs/dbraw/zinc/42/83/66/367428366.db2.gz LBJNTWBHVVZEEX-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000381240575 367369538 /nfs/dbraw/zinc/36/95/38/367369538.db2.gz MYZPJUKICBEDCP-BBBLOLIVSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000381595124 367434287 /nfs/dbraw/zinc/43/42/87/367434287.db2.gz LFQNBOMYFOAANR-JTQLQIEISA-N 2 0 213.325 0.243 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000381845149 367462127 /nfs/dbraw/zinc/46/21/27/367462127.db2.gz RKHWYYRTSXKBOL-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000581498770 367526979 /nfs/dbraw/zinc/52/69/79/367526979.db2.gz JUBJXKJHSPCKEW-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1CC(O)C1 ZINC000382843513 367563410 /nfs/dbraw/zinc/56/34/10/367563410.db2.gz XTKWUJGTMDXBIP-YYJSSNLHSA-N 2 0 212.337 0.687 20 0 BCADRP CC[NH2+]CCCNC(=O)NC[C@H](C)C[NH2+]C ZINC000581478550 367510978 /nfs/dbraw/zinc/51/09/78/367510978.db2.gz YTOGIZHIACULQY-SNVBAGLBSA-N 2 0 230.356 0.141 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000581483494 367515321 /nfs/dbraw/zinc/51/53/21/367515321.db2.gz QFVFQCIBOAOGTQ-UMNHJUIQSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581606772 367630469 /nfs/dbraw/zinc/63/04/69/367630469.db2.gz HZCOIIQNDBMWFX-GMTAPVOTSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581606773 367630488 /nfs/dbraw/zinc/63/04/88/367630488.db2.gz HZCOIIQNDBMWFX-HBNTYKKESA-N 2 0 227.352 0.476 20 0 BCADRP Cc1nc[nH]c1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000581675870 367703990 /nfs/dbraw/zinc/70/39/90/367703990.db2.gz GXHRLGHNYOXASY-VIFPVBQESA-N 2 0 236.319 0.676 20 0 BCADRP COC(=O)CCC[N@H+](C)C1CC([NH3+])C1 ZINC000384720549 367721208 /nfs/dbraw/zinc/72/12/08/367721208.db2.gz HCMYJIJLHMCLMJ-UHFFFAOYSA-N 2 0 200.282 0.361 20 0 BCADRP CCC(CC)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000566107842 325996158 /nfs/dbraw/zinc/99/61/58/325996158.db2.gz AZBAZNCVSMLSLB-CYBMUJFWSA-N 2 0 243.395 0.373 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH2+]1 ZINC000384790699 367733200 /nfs/dbraw/zinc/73/32/00/367733200.db2.gz PUGDXPWBDHNSBO-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1CC[NH2+]1 ZINC000384799003 367734433 /nfs/dbraw/zinc/73/44/33/367734433.db2.gz RFKIQBLQCJRISJ-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000384797463 367734453 /nfs/dbraw/zinc/73/44/53/367734453.db2.gz AUOCLZPORVFSPF-GMTAPVOTSA-N 2 0 223.320 0.043 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000384836014 367739929 /nfs/dbraw/zinc/73/99/29/367739929.db2.gz OVCAVSRZDNSUIF-WDEREUQCSA-N 2 0 223.320 0.045 20 0 BCADRP CN(C)C(=O)C1([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000581726468 367790821 /nfs/dbraw/zinc/79/08/21/367790821.db2.gz OCZQDDVTZKFYMQ-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000153780494 367904678 /nfs/dbraw/zinc/90/46/78/367904678.db2.gz ACVIOBNFJHPNPA-PHIMTYICSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH2+]CCCCO)[C@@H]1CCCC[NH2+]1 ZINC000386103678 367912749 /nfs/dbraw/zinc/91/27/49/367912749.db2.gz KGRLOYKJEMRAJO-QWRGUYRKSA-N 2 0 200.326 0.879 20 0 BCADRP CC[NH+]1CCC(CNC2=[NH+]CCCN2)CC1 ZINC000386384682 367959999 /nfs/dbraw/zinc/95/99/99/367959999.db2.gz DQNMFHAZDVMRAL-UHFFFAOYSA-N 2 0 224.352 0.657 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000582001555 368118828 /nfs/dbraw/zinc/11/88/28/368118828.db2.gz XKWBAPAYRXIDCL-MNOVXSKESA-N 2 0 225.336 0.054 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442596174 201576549 /nfs/dbraw/zinc/57/65/49/201576549.db2.gz DRSVYNVKBBTNOR-GFCCVEGCSA-N 2 0 241.379 0.916 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000387457972 368206013 /nfs/dbraw/zinc/20/60/13/368206013.db2.gz OXTXONQIQOIWKH-JTQLQIEISA-N 2 0 229.368 0.688 20 0 BCADRP C[C@@H](NC(=O)COC1CCC([NH3+])CC1)[C@H](C)[NH3+] ZINC000566796200 326083704 /nfs/dbraw/zinc/08/37/04/326083704.db2.gz OJCDPYSIFYHBCB-IZUQBHJASA-N 2 0 243.351 0.125 20 0 BCADRP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000081018627 368566804 /nfs/dbraw/zinc/56/68/04/368566804.db2.gz FCVQJOTZNMDWEL-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@@H](CNC1=[NH+]CCCN1)[NH+]1CCCC1 ZINC000066245288 368642432 /nfs/dbraw/zinc/64/24/32/368642432.db2.gz VEYSIMMNQQXCPT-NSHDSACASA-N 2 0 224.352 0.800 20 0 BCADRP CC[NH+](CC)CC(=O)NCC(C)(C)[NH+](C)C ZINC000069976621 368761079 /nfs/dbraw/zinc/76/10/79/368761079.db2.gz IEMGOQIBPUBPMX-UHFFFAOYSA-N 2 0 229.368 0.785 20 0 BCADRP CC[NH+]1CCC(C[NH2+][C@H](C)CC(=O)NC)CC1 ZINC000567208564 326136513 /nfs/dbraw/zinc/13/65/13/326136513.db2.gz DLJMFCOKWXWRFI-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]1OCC[C@@H]1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000631822176 368975764 /nfs/dbraw/zinc/97/57/64/368975764.db2.gz VGJRWNVWSBZPBZ-CHWSQXEVSA-N 2 0 241.379 0.248 20 0 BCADRP C[C@@H]1OCC[C@@H]1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000631822178 368976278 /nfs/dbraw/zinc/97/62/78/368976278.db2.gz VGJRWNVWSBZPBZ-QWHCGFSZSA-N 2 0 241.379 0.248 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091394510 369011465 /nfs/dbraw/zinc/01/14/65/369011465.db2.gz WMDKXCDYJDOFSY-GFCCVEGCSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000309823806 326170527 /nfs/dbraw/zinc/17/05/27/326170527.db2.gz WXGYTVHGTISKSD-LPEHRKFASA-N 2 0 213.325 0.165 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000631837962 369107554 /nfs/dbraw/zinc/10/75/54/369107554.db2.gz HQUPWYBXXMZMDQ-JHJVBQTASA-N 3 0 225.380 0.903 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000336417947 181461055 /nfs/dbraw/zinc/46/10/55/181461055.db2.gz HTWURDSGPNQXDZ-VXGBXAGGSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333735776 181461595 /nfs/dbraw/zinc/46/15/95/181461595.db2.gz WXBPOBXEGXRJBB-WDEREUQCSA-N 2 0 240.351 0.261 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2CCCC[C@@H]2C[NH3+])co1 ZINC000187171617 181475923 /nfs/dbraw/zinc/47/59/23/181475923.db2.gz FELQOLBJIGCQSX-SNVBAGLBSA-N 2 0 237.303 0.692 20 0 BCADRP FC(F)[C@@H]1C[NH2+]CCN1CC1CC[NH2+]CC1 ZINC000567613202 326228987 /nfs/dbraw/zinc/22/89/87/326228987.db2.gz RXRVGRVOEOIYST-JTQLQIEISA-N 2 0 233.306 0.525 20 0 BCADRP C[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000567639372 326237017 /nfs/dbraw/zinc/23/70/17/326237017.db2.gz KIDQBSYASNLQLX-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP c1cc(CN2C[C@@H]3C[C@H]2C[NH2+]3)c2c(c1)C[NH2+]CC2 ZINC000631847874 369407549 /nfs/dbraw/zinc/40/75/49/369407549.db2.gz GFRTVLGXVWPJCU-KBPBESRZSA-N 2 0 243.354 0.878 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404961895 369441947 /nfs/dbraw/zinc/44/19/47/369441947.db2.gz KDWXQXFRBIQHOF-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP CC[NH+]1CCC([NH2+]CCN2CCCC2=O)CC1 ZINC000405441570 369461266 /nfs/dbraw/zinc/46/12/66/369461266.db2.gz PRBPARYUUQKMRS-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000567823648 326263985 /nfs/dbraw/zinc/26/39/85/326263985.db2.gz FUAWMRCXBXJVJO-QWRGUYRKSA-N 2 0 225.336 0.324 20 0 BCADRP OCC[NH2+]C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000631862270 369503259 /nfs/dbraw/zinc/50/32/59/369503259.db2.gz HMQDHNPQBSKHHS-CYBMUJFWSA-N 2 0 242.363 0.602 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[C@@H](C)[NH3+] ZINC000567846571 326268842 /nfs/dbraw/zinc/26/88/42/326268842.db2.gz HTOZJSKPTKDDPR-KKOKHZNYSA-N 2 0 241.379 0.849 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC000619899225 369630841 /nfs/dbraw/zinc/63/08/41/369630841.db2.gz PMCLXLPFFWPJSH-LBPRGKRZSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000568150831 326313265 /nfs/dbraw/zinc/31/32/65/326313265.db2.gz WVVKNOFRPUEAKL-GRZMOONWSA-N 2 0 225.336 0.311 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)C[NH2+]C ZINC000252644859 370105334 /nfs/dbraw/zinc/10/53/34/370105334.db2.gz PKPCVGPWLQINQB-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](CC)C1)[NH+](C)C ZINC000620902288 370049820 /nfs/dbraw/zinc/04/98/20/370049820.db2.gz RBULISQYHKFJDW-WOPDTQHZSA-N 2 0 241.379 0.926 20 0 BCADRP O[C@H](C[NH2+]C[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000037859677 370229156 /nfs/dbraw/zinc/22/91/56/370229156.db2.gz KTPGNRHVZRDSAV-VXGBXAGGSA-N 2 0 228.336 0.212 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000309814278 370258463 /nfs/dbraw/zinc/25/84/63/370258463.db2.gz UZMXIXLBWZLIQV-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000309833358 370259365 /nfs/dbraw/zinc/25/93/65/370259365.db2.gz ZFPMKYQWZAJWRZ-MNOVXSKESA-N 3 0 215.341 0.021 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000309804893 370263256 /nfs/dbraw/zinc/26/32/56/370263256.db2.gz RWNONPUMBJHRHC-LLVKDONJSA-N 2 0 213.325 0.183 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)C(C)(C)C[NH3+] ZINC000309826080 370264537 /nfs/dbraw/zinc/26/45/37/370264537.db2.gz XKAMZNTYOQRVMW-SECBINFHSA-N 2 0 215.341 0.605 20 0 BCADRP C[NH+](C[C@@H](O)CNCC[N@@H+](C)C1CC1)C1CC1 ZINC000310530109 370350468 /nfs/dbraw/zinc/35/04/68/370350468.db2.gz NVWPDPUTHVMRDZ-ZDUSSCGKSA-N 2 0 241.379 0.125 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621670464 370420420 /nfs/dbraw/zinc/42/04/20/370420420.db2.gz ODXOZLFKHLAYDN-QWRGUYRKSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@@]1(NC(=O)CC[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000621670950 370421657 /nfs/dbraw/zinc/42/16/57/370421657.db2.gz DFSQIGFLKIKSGK-WCQYABFASA-N 2 0 239.363 0.634 20 0 BCADRP [NH3+]CC1(CC(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621682247 370431735 /nfs/dbraw/zinc/43/17/35/370431735.db2.gz CCKLMQCKNRVAOE-GXFFZTMASA-N 2 0 237.347 0.455 20 0 BCADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)[C@@H]1CCC[NH2+]1)C2 ZINC000621683900 370432562 /nfs/dbraw/zinc/43/25/62/370432562.db2.gz DQUWNGJFIAKEIO-JFGNBEQYSA-N 2 0 223.320 0.078 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCC[NH2+]1)C2 ZINC000621684246 370433685 /nfs/dbraw/zinc/43/36/85/370433685.db2.gz JREIPFHPZMYBJV-LOWVWBTDSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+]CCCC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684158 370433937 /nfs/dbraw/zinc/43/39/37/370433937.db2.gz IIOHPCRTMBFFKK-KOLCDFICSA-N 2 0 211.309 0.065 20 0 BCADRP C[NH2+]CCCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621621259 370405454 /nfs/dbraw/zinc/40/54/54/370405454.db2.gz XHPQTJOCCPYTPQ-NSHDSACASA-N 2 0 227.352 0.492 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]C1)N[C@H]1CC[NH2+]C1 ZINC000621621121 370405763 /nfs/dbraw/zinc/40/57/63/370405763.db2.gz SAUHQZJAPZGYND-QWRGUYRKSA-N 2 0 225.336 0.244 20 0 BCADRP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@@H]1CCC[NH2+]1 ZINC000621622167 370406206 /nfs/dbraw/zinc/40/62/06/370406206.db2.gz WSMKAKGKCYWLHP-NEPJUHHUSA-N 2 0 239.363 0.634 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684485 370434645 /nfs/dbraw/zinc/43/46/45/370434645.db2.gz NCXARTRULDICJQ-OPQQBVKSSA-N 2 0 239.363 0.700 20 0 BCADRP [NH3+]C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000621623846 370407323 /nfs/dbraw/zinc/40/73/23/370407323.db2.gz OCLDFMGGMVLSPJ-CMPLNLGQSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621622769 370407446 /nfs/dbraw/zinc/40/74/46/370407446.db2.gz MGIUIYMVNQQOKH-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621622727 370407596 /nfs/dbraw/zinc/40/75/96/370407596.db2.gz LINHPCOILPUINH-NEPJUHHUSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684729 370434876 /nfs/dbraw/zinc/43/48/76/370434876.db2.gz RKMLWHDJRIDUFF-QXEWZRGKSA-N 2 0 211.309 0.064 20 0 BCADRP C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)[C@H](C)[NH3+] ZINC000621658748 370415204 /nfs/dbraw/zinc/41/52/04/370415204.db2.gz RESUEQJGAHOOMH-AXFHLTTASA-N 2 0 227.352 0.618 20 0 BCADRP O=C(CC[C@H]1CCC[NH2+]C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000621658171 370415680 /nfs/dbraw/zinc/41/56/80/370415680.db2.gz BASPCWINYJPZDP-DCQANWLSSA-N 2 0 237.347 0.100 20 0 BCADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C[NH2+]C1CC1)C2 ZINC000621698529 370444303 /nfs/dbraw/zinc/44/43/03/370444303.db2.gz ZYCPYNNHYNNONE-JOYOIKCWSA-N 2 0 223.320 0.078 20 0 BCADRP C[C@]1(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CCC[NH2+]1 ZINC000621699128 370446373 /nfs/dbraw/zinc/44/63/73/370446373.db2.gz MXQZNMZCSPIRMW-RAIGVLPGSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000621704518 370452511 /nfs/dbraw/zinc/45/25/11/370452511.db2.gz XDPGKSCATDOOMB-JGVFFNPUSA-N 2 0 235.278 0.085 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621690553 370438664 /nfs/dbraw/zinc/43/86/64/370438664.db2.gz VVCIDAKGUUTPGH-YPMHNXCESA-N 2 0 239.363 0.668 20 0 BCADRP CCn1nccc1CC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000621773924 370518229 /nfs/dbraw/zinc/51/82/29/370518229.db2.gz GJXYDWMOYNQYOJ-NSHDSACASA-N 2 0 222.336 0.726 20 0 BCADRP CCn1nccc1CC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000621773923 370518407 /nfs/dbraw/zinc/51/84/07/370518407.db2.gz GJXYDWMOYNQYOJ-LLVKDONJSA-N 2 0 222.336 0.726 20 0 BCADRP CCn1nccc1CCN1CCC[NH2+]CC1 ZINC000621774101 370519083 /nfs/dbraw/zinc/51/90/83/370519083.db2.gz KOTYZRTXMWFGDX-UHFFFAOYSA-N 2 0 222.336 0.741 20 0 BCADRP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000621777482 370527351 /nfs/dbraw/zinc/52/73/51/370527351.db2.gz CYFWDHPMYWEGFW-CHWSQXEVSA-N 3 0 223.364 0.799 20 0 BCADRP Cn1cc(CCN2C[C@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000621781958 370530480 /nfs/dbraw/zinc/53/04/80/370530480.db2.gz KLNFDXNHWHKLSL-CHWSQXEVSA-N 2 0 234.347 0.776 20 0 BCADRP Cn1cncc1CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621782834 370531042 /nfs/dbraw/zinc/53/10/42/370531042.db2.gz SXWOLRDIAZHYSP-ZYHUDNBSSA-N 2 0 220.320 0.733 20 0 BCADRP c1ccc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000082416895 370993685 /nfs/dbraw/zinc/99/36/85/370993685.db2.gz SWBNXZYDWIYTTP-VXGBXAGGSA-N 2 0 217.316 0.775 20 0 BCADRP COC(=O)C1(C[NH2+]C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000568749701 326374829 /nfs/dbraw/zinc/37/48/29/326374829.db2.gz LILIJMAETPCWHF-NSHDSACASA-N 2 0 226.320 0.529 20 0 BCADRP COCCN1CC[C@@H]([NH2+][C@H]2C[C@H](OC)C2)C1 ZINC000623808602 371103502 /nfs/dbraw/zinc/10/35/02/371103502.db2.gz ZFCQIDAPIVWGMU-IJLUTSLNSA-N 2 0 228.336 0.474 20 0 BCADRP C[C@H]1CC[C@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000623837061 371119123 /nfs/dbraw/zinc/11/91/23/371119123.db2.gz WLHFDNKVLFMRQZ-SRVKXCTJSA-N 2 0 212.337 0.831 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000569218974 326395745 /nfs/dbraw/zinc/39/57/45/326395745.db2.gz JCZIMEWCUSQJHK-DCAQKATOSA-N 2 0 227.352 0.346 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCCC[NH3+] ZINC000390545171 371214203 /nfs/dbraw/zinc/21/42/03/371214203.db2.gz MQJIARWHINKEHV-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000369889394 181573699 /nfs/dbraw/zinc/57/36/99/181573699.db2.gz RJXISEQIIWVWTQ-DCQANWLSSA-N 2 0 237.347 0.372 20 0 BCADRP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000374468332 181590866 /nfs/dbraw/zinc/59/08/66/181590866.db2.gz HRBNKPODQBGILX-KKOKHZNYSA-N 2 0 237.347 0.467 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)[C@@H](C)C1 ZINC000624130518 371331707 /nfs/dbraw/zinc/33/17/07/371331707.db2.gz PYFFDJVBLFUJSZ-BJDJZHNGSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CCN2CC[C@@H](O)C2)[C@H]1C ZINC000624230894 371418408 /nfs/dbraw/zinc/41/84/08/371418408.db2.gz KJVMSAIIEUSWEK-WRWGMCAJSA-N 2 0 212.337 0.687 20 0 BCADRP C[C@H](CNC(=O)C[NH+](C)C)[N@H+](C)C1CC1 ZINC000171103459 372313411 /nfs/dbraw/zinc/31/34/11/372313411.db2.gz RFOCUPDQOUILCB-SECBINFHSA-N 2 0 213.325 0.147 20 0 BCADRP C[C@H]1OCC[C@@H]1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000631825862 372603278 /nfs/dbraw/zinc/60/32/78/372603278.db2.gz XKGBHIXTPOEVAX-KKOKHZNYSA-N 2 0 210.321 0.563 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)NCC[NH+]1CCCC1 ZINC000134480531 181926603 /nfs/dbraw/zinc/92/66/03/181926603.db2.gz HOZQNUNZBOMQJO-LBPRGKRZSA-N 2 0 239.363 0.588 20 0 BCADRP Cc1nccnc1CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000631824063 372589098 /nfs/dbraw/zinc/58/90/98/372589098.db2.gz VDIDRTMDJUPMAL-KOLCDFICSA-N 2 0 220.320 0.954 20 0 BCADRP C[N@H+](C[C@@H]1CCc2ncnn21)CC(C)(C)C[NH3+] ZINC000631821691 372597239 /nfs/dbraw/zinc/59/72/39/372597239.db2.gz GBMSTNULCAMSOS-JTQLQIEISA-N 2 0 237.351 0.682 20 0 BCADRP [NH3+]CCC1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000631829079 372611402 /nfs/dbraw/zinc/61/14/02/372611402.db2.gz GKKKEPVNJCGKLK-GFCCVEGCSA-N 2 0 249.362 0.826 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCCCO1 ZINC000631830093 372612879 /nfs/dbraw/zinc/61/28/79/372612879.db2.gz JCZFTHDIFCSRCP-GFCCVEGCSA-N 2 0 230.352 0.723 20 0 BCADRP C[C@@H]([NH3+])CN1CCOc2ccc(C[NH3+])cc21 ZINC000631831222 372614429 /nfs/dbraw/zinc/61/44/29/372614429.db2.gz WMKJHUNXTRPBJU-SECBINFHSA-N 2 0 221.304 0.691 20 0 BCADRP [NH3+]Cc1ccc2c(c1)N(C[C@H]1CC[NH2+]C1)CCO2 ZINC000631831135 372614689 /nfs/dbraw/zinc/61/46/89/372614689.db2.gz SDIZYAHQQQBARU-LBPRGKRZSA-N 2 0 247.342 0.954 20 0 BCADRP CC(C)(O)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631833792 372617598 /nfs/dbraw/zinc/61/75/98/372617598.db2.gz IXQQNHSFMVFZAR-SNVBAGLBSA-N 2 0 200.326 0.961 20 0 BCADRP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841778 372639325 /nfs/dbraw/zinc/63/93/25/372639325.db2.gz PMZHUYLMMQHPMJ-GRYCIOLGSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)OCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844402 372643507 /nfs/dbraw/zinc/64/35/07/372643507.db2.gz XCUCKIVBIPXZDK-GHMZBOCLSA-N 2 0 200.326 0.938 20 0 BCADRP C[C@@H]1C[C@H](N)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000631859526 372649003 /nfs/dbraw/zinc/64/90/03/372649003.db2.gz BMTVRKKUNFICRQ-PWSUYJOCSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@H]1OCC[C@H]1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000631825863 372603877 /nfs/dbraw/zinc/60/38/77/372603877.db2.gz XKGBHIXTPOEVAX-KXNHARMFSA-N 2 0 210.321 0.563 20 0 BCADRP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000631826762 372605617 /nfs/dbraw/zinc/60/56/17/372605617.db2.gz WLMTWVDUCFWYTH-NEPJUHHUSA-N 2 0 249.362 0.969 20 0 BCADRP OCC[NH2+]C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000631862000 372663216 /nfs/dbraw/zinc/66/32/16/372663216.db2.gz CUVNJJLLDMQZLX-UHFFFAOYSA-N 3 0 241.379 0.032 20 0 BCADRP COCCOCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887893 372681240 /nfs/dbraw/zinc/68/12/40/372681240.db2.gz RJACDIWHNFYIIT-QWHCGFSZSA-N 2 0 242.363 0.723 20 0 BCADRP O=C(C[NH2+]CC1CC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000366414970 181976828 /nfs/dbraw/zinc/97/68/28/181976828.db2.gz RFBMZSSNCBODQZ-FOSCPWQOSA-N 2 0 237.347 0.385 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000374481938 182027477 /nfs/dbraw/zinc/02/74/77/182027477.db2.gz OPDPWEZAVDIPOP-UTUOFQBUSA-N 2 0 237.347 0.481 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)NCC[NH+]1CCCCC1 ZINC000049575445 182027646 /nfs/dbraw/zinc/02/76/46/182027646.db2.gz OXPXRBKFHDOVPG-GFCCVEGCSA-N 2 0 239.363 0.731 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632854290 373191969 /nfs/dbraw/zinc/19/19/69/373191969.db2.gz DPLFGEWGHCXRTN-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000632869323 373200440 /nfs/dbraw/zinc/20/04/40/373200440.db2.gz JHRGIMIDMYMRHD-QWRGUYRKSA-N 2 0 247.342 0.759 20 0 BCADRP O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1CCC[NH2+]1 ZINC000037042422 182116464 /nfs/dbraw/zinc/11/64/64/182116464.db2.gz JJCQTFZKYTWDNO-GFCCVEGCSA-N 2 0 237.347 0.481 20 0 BCADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1CCCCC[NH2+]1 ZINC000364470826 182199193 /nfs/dbraw/zinc/19/91/93/182199193.db2.gz YIDLVZURXVKLQP-NWDGAFQWSA-N 2 0 239.363 0.634 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]C1)[C@@]1(F)CC[NH2+]C1 ZINC000376694170 182200175 /nfs/dbraw/zinc/20/01/75/182200175.db2.gz FGYUIADVUDOUEK-ZYHUDNBSSA-N 2 0 243.326 0.194 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@H](C)CCCC[NH3+] ZINC000634076307 373941622 /nfs/dbraw/zinc/94/16/22/373941622.db2.gz CSYUVCPTHAZCEW-LLVKDONJSA-N 2 0 244.383 0.803 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H](C)C[NH3+])CC[N@@H+]1C ZINC000634300920 374129671 /nfs/dbraw/zinc/12/96/71/374129671.db2.gz PNTZJUGPAZJPOZ-WDEREUQCSA-N 2 0 227.352 0.380 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000634271288 374084886 /nfs/dbraw/zinc/08/48/86/374084886.db2.gz SQTIZZSWAXRNEU-MNOVXSKESA-N 2 0 240.351 0.132 20 0 BCADRP [NH3+][C@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)C1CC1 ZINC000634271393 374084991 /nfs/dbraw/zinc/08/49/91/374084991.db2.gz UGJNYDANYJGDEO-GHMZBOCLSA-N 2 0 240.351 0.165 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000634272246 374086252 /nfs/dbraw/zinc/08/62/52/374086252.db2.gz ZINXUVUTNYTDIK-MNOVXSKESA-N 2 0 240.351 0.261 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634271836 374086329 /nfs/dbraw/zinc/08/63/29/374086329.db2.gz WQEJTSZRCDBUTF-UWVGGRQHSA-N 2 0 228.340 0.165 20 0 BCADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000062114227 182243191 /nfs/dbraw/zinc/24/31/91/182243191.db2.gz YNBFXLFZBWQIIP-GHMZBOCLSA-N 2 0 237.347 0.196 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1CCCCC[NH2+]1 ZINC000368750307 182238082 /nfs/dbraw/zinc/23/80/82/182238082.db2.gz OJFMRLUVBNFCJG-NWDGAFQWSA-N 2 0 239.363 0.634 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000418388713 206017486 /nfs/dbraw/zinc/01/74/86/206017486.db2.gz NLJFTQBBKVAHQT-GARJFASQSA-N 2 0 242.367 0.234 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000418389574 206017664 /nfs/dbraw/zinc/01/76/64/206017664.db2.gz UBDTZVWGLRXCGA-AXFHLTTASA-N 2 0 240.351 0.165 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000166637838 206019663 /nfs/dbraw/zinc/01/96/63/206019663.db2.gz UOFLHIKMAGHYHQ-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000424130322 206033771 /nfs/dbraw/zinc/03/37/71/206033771.db2.gz HJXABNVMGASDLD-YFKTTZPYSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424192563 206034248 /nfs/dbraw/zinc/03/42/48/206034248.db2.gz PGESBGMMBKOHGP-WCQGTBRESA-N 2 0 239.363 0.522 20 0 BCADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC000366478742 182290636 /nfs/dbraw/zinc/29/06/36/182290636.db2.gz VLUGNBZAAQGOBT-GHMZBOCLSA-N 2 0 237.347 0.244 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCCC[NH2+]1 ZINC000372439721 182293407 /nfs/dbraw/zinc/29/34/07/182293407.db2.gz NKKOPVVXOBDSMM-MNOVXSKESA-N 2 0 225.336 0.387 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000247065536 182304710 /nfs/dbraw/zinc/30/47/10/182304710.db2.gz VIVQDQFKJQIKRK-WYUUTHIRSA-N 2 0 237.347 0.385 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000449601659 206099336 /nfs/dbraw/zinc/09/93/36/206099336.db2.gz NLJQDWGEWRVFDZ-KWBADKCTSA-N 2 0 235.331 0.712 20 0 BCADRP C[C@@H](NC(=O)[C@@](C)([NH3+])c1ccccc1)[C@H](C)[NH3+] ZINC000449601658 206099696 /nfs/dbraw/zinc/09/96/96/206099696.db2.gz NLJQDWGEWRVFDZ-CWSCBRNRSA-N 2 0 235.331 0.712 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])C(C)C ZINC000167322412 206143912 /nfs/dbraw/zinc/14/39/12/206143912.db2.gz DXMLAUDGRCPYCT-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+](C)CCC[NH2+]CC[C@@H]1CCOC1 ZINC000220505218 134309170 /nfs/dbraw/zinc/30/91/70/134309170.db2.gz KZKPJRYIHPJKNU-LLVKDONJSA-N 2 0 200.326 0.954 20 0 BCADRP OCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363312755 183072897 /nfs/dbraw/zinc/07/28/97/183072897.db2.gz NPKMKYWTBVNYIH-UHFFFAOYSA-N 2 0 242.363 0.413 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000132019844 169002309 /nfs/dbraw/zinc/00/23/09/169002309.db2.gz QLSPJOBNKIFZFP-MNOVXSKESA-N 2 0 227.352 0.762 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364559549 169002734 /nfs/dbraw/zinc/00/27/34/169002734.db2.gz LTNPWJVXVWHLAC-NQBHXWOUSA-N 2 0 239.363 0.620 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364559548 169002784 /nfs/dbraw/zinc/00/27/84/169002784.db2.gz LTNPWJVXVWHLAC-MDZLAQPJSA-N 2 0 239.363 0.620 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000309768750 169006869 /nfs/dbraw/zinc/00/68/69/169006869.db2.gz JYXDXZFONMMEJC-ZJUUUORDSA-N 2 0 213.325 0.372 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359398420 169068138 /nfs/dbraw/zinc/06/81/38/169068138.db2.gz XRLBDMXLIUMPMW-PHIMTYICSA-N 2 0 225.336 0.006 20 0 BCADRP O[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000337976759 183197671 /nfs/dbraw/zinc/19/76/71/183197671.db2.gz LZTRLJHYTXWCAK-CHWSQXEVSA-N 2 0 242.363 0.290 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC1CC[NH+](C)CC1 ZINC000359295679 169071656 /nfs/dbraw/zinc/07/16/56/169071656.db2.gz WDJGMLFFCUGHMI-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)CC[NH+]1CCCC1 ZINC000359257556 169064474 /nfs/dbraw/zinc/06/44/74/169064474.db2.gz BMLZCDOFMMLECQ-UHFFFAOYSA-N 2 0 241.379 0.882 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH3+])C1 ZINC000236764369 169078900 /nfs/dbraw/zinc/07/89/00/169078900.db2.gz UENDAJHUCPJVHZ-GFCCVEGCSA-N 2 0 241.379 0.916 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C[NH2+]C)C1 ZINC000236764458 169079015 /nfs/dbraw/zinc/07/90/15/169079015.db2.gz NTZVKQWOZFTDSN-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP O[C@H](C[NH2+]CC1CCOCC1)C[NH+]1CCCC1 ZINC000104194873 183222618 /nfs/dbraw/zinc/22/26/18/183222618.db2.gz WXMQDUQDXHNRPQ-CYBMUJFWSA-N 2 0 242.363 0.459 20 0 BCADRP O[C@H](C[NH2+]C1CCCC1)C[NH+]1CCCC1 ZINC000037859724 183222955 /nfs/dbraw/zinc/22/29/55/183222955.db2.gz KLASNLYBQJVCIC-GFCCVEGCSA-N 2 0 212.337 0.975 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000249077691 169120378 /nfs/dbraw/zinc/12/03/78/169120378.db2.gz RFFKIWUPCLCCGI-MNOVXSKESA-N 2 0 229.368 0.818 20 0 BCADRP CCC[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)NC ZINC000051919243 169170094 /nfs/dbraw/zinc/17/00/94/169170094.db2.gz CJBRIPNVBFOVLM-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP CCC[NH+]1CCC(N(C)C(=O)C[NH2+]C)CC1 ZINC000038100756 169186075 /nfs/dbraw/zinc/18/60/75/169186075.db2.gz YUKROONWGBBUCK-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CCC[NH+]1CCC(CNC(=O)CCC[NH3+])CC1 ZINC000236758775 169187362 /nfs/dbraw/zinc/18/73/62/169187362.db2.gz KVVUDNIBYLGTGM-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP CCC[NH+]1CCC([NH2+]C[C@H]2COCCO2)CC1 ZINC000038060156 169188340 /nfs/dbraw/zinc/18/83/40/169188340.db2.gz XCMGAQVVSSNPMW-ZDUSSCGKSA-N 2 0 242.363 0.866 20 0 BCADRP CCC[NH+]1CCC(NC(=O)C[NH+](C)C)CC1 ZINC000340004071 169188522 /nfs/dbraw/zinc/18/85/22/169188522.db2.gz CYFIKPGJOSOZGH-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CCC[NH+]1CCC([NH2+][C@H]2CC(=O)N(C)C2)CC1 ZINC000336716338 169189127 /nfs/dbraw/zinc/18/91/27/169189127.db2.gz PZULBTMJRAHGJK-LBPRGKRZSA-N 2 0 239.363 0.681 20 0 BCADRP CCC[N@@H+]1CCCN(C(=O)C2C[NH2+]C2)CC1 ZINC000364883325 169191190 /nfs/dbraw/zinc/19/11/90/169191190.db2.gz UQVCOGNIDLMULW-UHFFFAOYSA-N 2 0 225.336 0.150 20 0 BCADRP CCC[N@@H+]1CCCN(C(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000370782829 169192554 /nfs/dbraw/zinc/19/25/54/169192554.db2.gz VKMNYLPMQHSDOZ-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000236764008 169194819 /nfs/dbraw/zinc/19/48/19/169194819.db2.gz XSLKXFQHIOBEPQ-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236764705 169194952 /nfs/dbraw/zinc/19/49/52/169194952.db2.gz YSRAZLGDMHHHJJ-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC ZINC000358950054 169195364 /nfs/dbraw/zinc/19/53/64/169195364.db2.gz WKZMQCXPNKMQBO-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000342134040 169195789 /nfs/dbraw/zinc/19/57/89/169195789.db2.gz SHHXWKKOQOWABS-GFCCVEGCSA-N 2 0 239.363 0.633 20 0 BCADRP CCC[NH2+]CCNC(=O)C1([NH3+])CCCC1 ZINC000236901275 169258101 /nfs/dbraw/zinc/25/81/01/169258101.db2.gz LOYTXVOHVPBWOV-UHFFFAOYSA-N 2 0 213.325 0.374 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000236795332 169259216 /nfs/dbraw/zinc/25/92/16/169259216.db2.gz AFJBPJFNVBLIDE-NSHDSACASA-N 2 0 213.325 0.102 20 0 BCADRP CCCNC(=O)[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000111612166 169241068 /nfs/dbraw/zinc/24/10/68/169241068.db2.gz MVHHJZGASYNTQI-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP CCCS(=O)(=O)CCN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000226422344 169330022 /nfs/dbraw/zinc/33/00/22/169330022.db2.gz LWZZEQQVLQLXPZ-WDEREUQCSA-N 2 0 248.392 0.480 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000357354512 169387717 /nfs/dbraw/zinc/38/77/17/169387717.db2.gz OCAYILQQKWKLAS-GHMZBOCLSA-N 2 0 227.352 0.844 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942926 169388025 /nfs/dbraw/zinc/38/80/25/169388025.db2.gz LQBUWMWOHOQPGB-VXGBXAGGSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000178818590 134315585 /nfs/dbraw/zinc/31/55/85/134315585.db2.gz VTEVNAGCTAXDQD-MNOVXSKESA-N 2 0 227.352 0.666 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)CCC[NH3+] ZINC000178836253 134315778 /nfs/dbraw/zinc/31/57/78/134315778.db2.gz MDYOXUDMMPTSMQ-UHFFFAOYSA-N 2 0 215.341 0.573 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000224044716 134344383 /nfs/dbraw/zinc/34/43/83/134344383.db2.gz MAJFXMKLOKIFJY-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000353182743 169503517 /nfs/dbraw/zinc/50/35/17/169503517.db2.gz KNABFWFWOCHZEE-USWWRNFRSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+]CC1(CC(=O)N2CC[C@H]([NH3+])C2)CCCCC1 ZINC000184131407 134358925 /nfs/dbraw/zinc/35/89/25/134358925.db2.gz LOQFJAUAGSVQBR-NSHDSACASA-N 2 0 239.363 0.845 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000226314470 134360506 /nfs/dbraw/zinc/36/05/06/134360506.db2.gz MHYKSFJBTOZOCN-MXWKQRLJSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000226508589 134363809 /nfs/dbraw/zinc/36/38/09/134363809.db2.gz CYCUXMXHVSZRAI-TUAOUCFPSA-N 2 0 239.363 0.857 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)C[NH3+] ZINC000226396646 134365076 /nfs/dbraw/zinc/36/50/76/134365076.db2.gz MGZVZGJJBAELFK-SNVBAGLBSA-N 2 0 229.368 0.818 20 0 BCADRP COC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724217 383842347 /nfs/dbraw/zinc/84/23/47/383842347.db2.gz UMBHWLZZYSABFI-SECBINFHSA-N 2 0 200.282 0.220 20 0 BCADRP C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000358521439 383843382 /nfs/dbraw/zinc/84/33/82/383843382.db2.gz JALFPGAKZGMMMS-AOOOYVTPSA-N 2 0 230.356 0.186 20 0 BCADRP CC[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CC[C@H]1[NH3+] ZINC000648124671 383845877 /nfs/dbraw/zinc/84/58/77/383845877.db2.gz AVBJOUZARDYZMP-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCC[N@H+](C)CC1 ZINC000069838988 383848478 /nfs/dbraw/zinc/84/84/78/383848478.db2.gz HVYSIIUPNVSRLO-SNVBAGLBSA-N 2 0 213.325 0.278 20 0 BCADRP C[C@H]1CC[C@H](C[N@H+](C)CCOCC[NH3+])O1 ZINC000301051485 383879913 /nfs/dbraw/zinc/87/99/13/383879913.db2.gz UPCPDLTXURQSEE-WDEREUQCSA-N 2 0 216.325 0.461 20 0 BCADRP CC[C@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000648124829 383850977 /nfs/dbraw/zinc/85/09/77/383850977.db2.gz CXLAJNZRLBVHID-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CC[C@H]1[NH3+] ZINC000648124831 383851240 /nfs/dbraw/zinc/85/12/40/383851240.db2.gz CXLAJNZRLBVHID-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000449326000 383862175 /nfs/dbraw/zinc/86/21/75/383862175.db2.gz RJMYASGTQBVNIK-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH+](C)CC1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000037826068 383864529 /nfs/dbraw/zinc/86/45/29/383864529.db2.gz KKYRHDIXKDDGJY-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP C[N@H+](CCOCC[NH3+])CCOCC(F)(F)F ZINC000301054048 383881579 /nfs/dbraw/zinc/88/15/79/383881579.db2.gz ZOGIWVCJPZHMQB-UHFFFAOYSA-N 2 0 244.257 0.472 20 0 BCADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](C)C[NH3+] ZINC000357229192 383926054 /nfs/dbraw/zinc/92/60/54/383926054.db2.gz VGLABTAVMDBOMA-WDEREUQCSA-N 2 0 245.367 0.054 20 0 BCADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](C)C[NH3+] ZINC000357229183 383926329 /nfs/dbraw/zinc/92/63/29/383926329.db2.gz VGLABTAVMDBOMA-MNOVXSKESA-N 2 0 245.367 0.054 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000037001335 383927026 /nfs/dbraw/zinc/92/70/26/383927026.db2.gz CRVPWBQRIRUHHP-QWRGUYRKSA-N 2 0 229.368 0.816 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C[NH3+])c1cccc(F)c1 ZINC000237136766 383928621 /nfs/dbraw/zinc/92/86/21/383928621.db2.gz SNAADBHPKVPXRT-NSHDSACASA-N 2 0 239.294 0.503 20 0 BCADRP [NH3+]CC1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000517368286 383935608 /nfs/dbraw/zinc/93/56/08/383935608.db2.gz AAANJMMFOMIXHK-UHFFFAOYSA-N 2 0 225.336 0.313 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC[C@@H]1[NH3+] ZINC000648126623 383993474 /nfs/dbraw/zinc/99/34/74/383993474.db2.gz OYTSPHWXOWACNG-ZIQFBCGOSA-N 2 0 237.347 0.323 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000049575503 383961233 /nfs/dbraw/zinc/96/12/33/383961233.db2.gz BNUQULQLIXKXCG-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000643542395 383966864 /nfs/dbraw/zinc/96/68/64/383966864.db2.gz KOPUKQDLWBUIQB-JHJVBQTASA-N 2 0 242.363 0.912 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000449358968 383971487 /nfs/dbraw/zinc/97/14/87/383971487.db2.gz HAMNSEAXTZXZCW-SKDRFNHKSA-N 2 0 237.347 0.480 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)C[NH3+])C1 ZINC000357237289 383971902 /nfs/dbraw/zinc/97/19/02/383971902.db2.gz FLJVPDBLBPMSSG-WDEREUQCSA-N 2 0 227.352 0.381 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000566295677 383974154 /nfs/dbraw/zinc/97/41/54/383974154.db2.gz DXBRVEGUTKNDRU-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000566295674 383974229 /nfs/dbraw/zinc/97/42/29/383974229.db2.gz DXBRVEGUTKNDRU-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000449508315 384009290 /nfs/dbraw/zinc/00/92/90/384009290.db2.gz GRSQFHNENFEXSR-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]1OCC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000119917771 384014085 /nfs/dbraw/zinc/01/40/85/384014085.db2.gz HLIJVEXGELRHOF-CHWSQXEVSA-N 2 0 241.379 0.391 20 0 BCADRP F[C@@]1(c2nc([C@H]3CCC[NH2+]3)no2)CC[NH2+]C1 ZINC000647156672 384042089 /nfs/dbraw/zinc/04/20/89/384042089.db2.gz KZNDPGDKFOOELL-XCBNKYQSSA-N 2 0 226.255 0.652 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000648127731 384054554 /nfs/dbraw/zinc/05/45/54/384054554.db2.gz UQGFMBNISOGHFZ-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP Cn1cncc1CC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000401812731 384055976 /nfs/dbraw/zinc/05/59/76/384055976.db2.gz VIDDOGCTMMNCBU-SNVBAGLBSA-N 2 0 208.309 0.243 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)CC[N@@H+]1C ZINC000648127921 384058386 /nfs/dbraw/zinc/05/83/86/384058386.db2.gz OORPBVFTKBLXBW-WRWGMCAJSA-N 2 0 239.363 0.535 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000569455634 384061697 /nfs/dbraw/zinc/06/16/97/384061697.db2.gz OMTDNCCTSFFJRQ-KXUCPTDWSA-N 2 0 213.325 0.213 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000569455629 384062430 /nfs/dbraw/zinc/06/24/30/384062430.db2.gz OMTDNCCTSFFJRQ-IVZWLZJFSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@H](Cn1ccnc1)NC(=O)CC[C@H](C)[NH3+] ZINC000069839343 384065779 /nfs/dbraw/zinc/06/57/79/384065779.db2.gz JMTVNTUTYACUBM-VHSXEESVSA-N 2 0 224.308 0.515 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)[NH3+] ZINC000077307734 384066869 /nfs/dbraw/zinc/06/68/69/384066869.db2.gz LCSCEMRTNIRTGB-SECBINFHSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)CCCC[NH3+])C[N@@H+]1C1CC1 ZINC000572600402 384081196 /nfs/dbraw/zinc/08/11/96/384081196.db2.gz SLJCYOSURSOSDR-WDEREUQCSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CCCC[NH3+])C[N@@H+]1C1CC1 ZINC000572600400 384082390 /nfs/dbraw/zinc/08/23/90/384082390.db2.gz SLJCYOSURSOSDR-MNOVXSKESA-N 2 0 239.363 0.857 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000335890286 384083017 /nfs/dbraw/zinc/08/30/17/384083017.db2.gz WLKZAASYVMVSBK-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000449381371 384099239 /nfs/dbraw/zinc/09/92/39/384099239.db2.gz RSWFMIDGLQJYMJ-LMLFDSFASA-N 2 0 225.336 0.051 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000449385570 384133450 /nfs/dbraw/zinc/13/34/50/384133450.db2.gz GCGWQBBSXIWLMZ-WDEREUQCSA-N 2 0 241.379 0.736 20 0 BCADRP C[C@]1(C(=O)N2CCC(C[NH3+])CC2)CCC[NH2+]C1 ZINC000336581537 384173779 /nfs/dbraw/zinc/17/37/79/384173779.db2.gz BIZSXQDTSXJJOU-ZDUSSCGKSA-N 2 0 239.363 0.573 20 0 BCADRP C[NH2+]CCCC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000648136855 384158988 /nfs/dbraw/zinc/15/89/88/384158988.db2.gz YUFZARZDSCILFM-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP C[NH+](C)C[C@H](NC(=O)CC[NH3+])c1ccccc1 ZINC000040809103 384165147 /nfs/dbraw/zinc/16/51/47/384165147.db2.gz NUWBVKNWFTVFSE-LBPRGKRZSA-N 2 0 235.331 0.754 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000648139753 384166866 /nfs/dbraw/zinc/16/68/66/384166866.db2.gz OIZAASXOFBOZLJ-WHOHXGKFSA-N 2 0 237.347 0.228 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000163233159 384185341 /nfs/dbraw/zinc/18/53/41/384185341.db2.gz WFMGPJIAHQXTBX-MFKMUULPSA-N 2 0 247.342 0.955 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000080992987 384179009 /nfs/dbraw/zinc/17/90/09/384179009.db2.gz DLVLBQRQBGPMKK-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[C@H](C(=O)N(C)C)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336599573 384206785 /nfs/dbraw/zinc/20/67/85/384206785.db2.gz PJVJKXVOIMNZFO-DGCLKSJQSA-N 2 0 239.363 0.491 20 0 BCADRP Cn1cncc1CC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000401878344 384192297 /nfs/dbraw/zinc/19/22/97/384192297.db2.gz OVTMSZAYDORFAI-GFCCVEGCSA-N 2 0 236.363 0.940 20 0 BCADRP COCCOCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000132691298 384200913 /nfs/dbraw/zinc/20/09/13/384200913.db2.gz PNOPSKRGRTVZFD-NEPJUHHUSA-N 2 0 230.352 0.579 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H]([NH3+])C(C)C ZINC000309457050 384221868 /nfs/dbraw/zinc/22/18/68/384221868.db2.gz NWGJLBLNKPVQDP-SECBINFHSA-N 2 0 215.341 0.603 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644164930 384242747 /nfs/dbraw/zinc/24/27/47/384242747.db2.gz IVXCQGUVYKEGQP-QMMMGPOBSA-N 2 0 249.305 0.475 20 0 BCADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC000069626431 384246457 /nfs/dbraw/zinc/24/64/57/384246457.db2.gz WGXYBAVTDKSWDF-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644164355 384247397 /nfs/dbraw/zinc/24/73/97/384247397.db2.gz HSTNLZYJDLDCKK-CIUDSAMLSA-N 2 0 247.289 0.179 20 0 BCADRP [NH3+]CC[C@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000069626388 384247790 /nfs/dbraw/zinc/24/77/90/384247790.db2.gz MBIWMJAKOCJDIU-GFCCVEGCSA-N 2 0 222.336 0.944 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)C1([NH3+])CCCC1 ZINC000648144312 384248844 /nfs/dbraw/zinc/24/88/44/384248844.db2.gz DXMGDPCQRLWQJP-SECBINFHSA-N 2 0 213.325 0.502 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158644102 384253368 /nfs/dbraw/zinc/25/33/68/384253368.db2.gz RHHPFVFQRFJLCN-CYBMUJFWSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648144483 384265297 /nfs/dbraw/zinc/26/52/97/384265297.db2.gz DRKWJRBDTNJWBI-BDAKNGLRSA-N 2 0 249.305 0.475 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@H]([NH3+])C1CCC1)C(F)F ZINC000569574690 384267214 /nfs/dbraw/zinc/26/72/14/384267214.db2.gz OJYBESFQKGRJRJ-JGVFFNPUSA-N 2 0 235.278 0.213 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)c1coc(C[NH3+])c1 ZINC000569575182 384274209 /nfs/dbraw/zinc/27/42/09/384274209.db2.gz YFPXXBFPDMCMMP-SECBINFHSA-N 2 0 239.319 0.986 20 0 BCADRP CC[NH2+]CCCNC(=O)CC1(C[NH3+])CC1 ZINC000516925440 384309294 /nfs/dbraw/zinc/30/92/94/384309294.db2.gz QLBLLXNBAXWEAM-UHFFFAOYSA-N 2 0 213.325 0.231 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)CO1 ZINC000401910431 384284331 /nfs/dbraw/zinc/28/43/31/384284331.db2.gz KOENAMCNWNXZMB-STQMWFEESA-N 2 0 241.379 0.391 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(CC[NH2+]C(C)(C)C)CCO1 ZINC000647506495 384295822 /nfs/dbraw/zinc/29/58/22/384295822.db2.gz JXQYYAAYGPTWTI-QWRGUYRKSA-N 2 0 229.368 0.423 20 0 BCADRP [NH3+]CCCOC1CC[NH+](CCC[NH3+])CC1 ZINC000647506361 384296263 /nfs/dbraw/zinc/29/62/63/384296263.db2.gz NBDABWJJGOHCTC-UHFFFAOYSA-N 3 0 215.341 0.165 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)[C@H](C)[NH3+] ZINC000083348430 384298293 /nfs/dbraw/zinc/29/82/93/384298293.db2.gz GRUVMKGFVYLZIU-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)C1([NH3+])CC1 ZINC000083835728 384336823 /nfs/dbraw/zinc/33/68/23/384336823.db2.gz UULDYWFXHLTPIW-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+]CC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000083884180 384343105 /nfs/dbraw/zinc/34/31/05/384343105.db2.gz GNSFUXVSLFKQJG-NSHDSACASA-N 2 0 225.336 0.422 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000123082498 384359440 /nfs/dbraw/zinc/35/94/40/384359440.db2.gz ZIRAKLIQEGQNJR-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC(C)(C)CC[NH3+])CC[N@@H+]1C ZINC000648179400 384333616 /nfs/dbraw/zinc/33/36/16/384333616.db2.gz RIJCHFPZHVJAHA-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP COC[C@H](C)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084221236 384377180 /nfs/dbraw/zinc/37/71/80/384377180.db2.gz KZNHLONFFBSLGS-MXWKQRLJSA-N 2 0 200.326 0.986 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000084200471 384379045 /nfs/dbraw/zinc/37/90/45/384379045.db2.gz CNKRAZMOGFPGIB-UWVGGRQHSA-N 2 0 211.309 0.030 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000248847038 384381481 /nfs/dbraw/zinc/38/14/81/384381481.db2.gz ICSCAAHMFADXMH-GARJFASQSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000564994600 384387387 /nfs/dbraw/zinc/38/73/87/384387387.db2.gz DZUQLPYBARGDSY-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1CCC[N@H+](CCNC(=O)CC(C)(C)[NH3+])C1 ZINC000178703002 384389570 /nfs/dbraw/zinc/38/95/70/384389570.db2.gz ZQQOSEASRYKMAS-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](NC[C@H]([NH3+])C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000517553892 384390074 /nfs/dbraw/zinc/39/00/74/384390074.db2.gz BGXZBVRMJDLEMP-USWWRNFRSA-N 2 0 211.353 0.844 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@H](CC[NH3+])C(F)F ZINC000648145831 384447624 /nfs/dbraw/zinc/44/76/24/384447624.db2.gz NORHFPOOOSMSHU-SSDOTTSWSA-N 2 0 237.294 0.603 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)CCC(C)(C)[NH3+] ZINC000648145332 384447746 /nfs/dbraw/zinc/44/77/46/384447746.db2.gz DOZAAAYJUHVJIA-MRVPVSSYSA-N 2 0 201.314 0.357 20 0 BCADRP C[NH2+]CCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000648176411 384473109 /nfs/dbraw/zinc/47/31/09/384473109.db2.gz PDCPMGJIIKUKJU-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180645 384477082 /nfs/dbraw/zinc/47/70/82/384477082.db2.gz KOTGDVYJRLGBOL-ZJUUUORDSA-N 2 0 225.336 0.515 20 0 BCADRP [NH3+]CCC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180594 384482092 /nfs/dbraw/zinc/48/20/92/384482092.db2.gz IWBLMBYHDSQVFF-VIFPVBQESA-N 2 0 211.309 0.126 20 0 BCADRP CN(C(=O)[C@H]1[NH2+]CC1(C)C)[C@H](C[NH3+])C1CC1 ZINC000648176631 384499288 /nfs/dbraw/zinc/49/92/88/384499288.db2.gz FMHVYJMKAVWIOD-NXEZZACHSA-N 2 0 225.336 0.180 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000565598312 384502587 /nfs/dbraw/zinc/50/25/87/384502587.db2.gz XZLTXFHTGLRXNT-VXGBXAGGSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000357410954 384494262 /nfs/dbraw/zinc/49/42/62/384494262.db2.gz JOVSNKZHUWBVRA-GRYCIOLGSA-N 2 0 239.363 0.680 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C2([NH3+])CCC2)C1 ZINC000148270085 384534584 /nfs/dbraw/zinc/53/45/84/384534584.db2.gz KADKNMWIRXTPKH-LLVKDONJSA-N 2 0 239.363 0.811 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812641 384534607 /nfs/dbraw/zinc/53/46/07/384534607.db2.gz CNKRAZMOGFPGIB-ZJUUUORDSA-N 2 0 211.309 0.030 20 0 BCADRP C[NH+](C)CC1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000147989013 384536548 /nfs/dbraw/zinc/53/65/48/384536548.db2.gz FGFSSEZSAADQMT-UHFFFAOYSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)c2c[nH+]ccc2N)C1 ZINC000569607377 384531427 /nfs/dbraw/zinc/53/14/27/384531427.db2.gz NDWCYQPJADDIEH-LBPRGKRZSA-N 2 0 234.303 0.305 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000236606161 384536617 /nfs/dbraw/zinc/53/66/17/384536617.db2.gz UEOJCVZVTPDXAC-WDEREUQCSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(N)=O)CC[N@@H+]1C ZINC000183639526 384542719 /nfs/dbraw/zinc/54/27/19/384542719.db2.gz KGAJNSNGQRRPAF-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)C(N)=O ZINC000183639432 384545074 /nfs/dbraw/zinc/54/50/74/384545074.db2.gz BZDPNFHLYPCUBC-OUAUKWLOSA-N 2 0 241.379 0.816 20 0 BCADRP CC[C@@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000647522912 384545383 /nfs/dbraw/zinc/54/53/83/384545383.db2.gz WDEKUURULKCRIE-QWHCGFSZSA-N 2 0 244.379 0.584 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000561194541 384554019 /nfs/dbraw/zinc/55/40/19/384554019.db2.gz NFMUBNWFIOILHR-LMLFDSFASA-N 2 0 225.336 0.193 20 0 BCADRP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000236648103 384539140 /nfs/dbraw/zinc/53/91/40/384539140.db2.gz DIJJLRJPVZJVGB-VXGBXAGGSA-N 2 0 241.379 0.912 20 0 BCADRP CC[NH2+]CCNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000151351642 384569017 /nfs/dbraw/zinc/56/90/17/384569017.db2.gz ATGRVQKGGLJQOT-UHFFFAOYSA-N 2 0 247.342 0.208 20 0 BCADRP C[C@H]1CCN(C(=O)CCC(C)(C)[NH3+])C[C@H]1C[NH3+] ZINC000648177737 384569805 /nfs/dbraw/zinc/56/98/05/384569805.db2.gz RNLQBLWWMHEBEP-WDEREUQCSA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH3+])C1 ZINC000236811875 384575153 /nfs/dbraw/zinc/57/51/53/384575153.db2.gz KCZYNZJQDBDRRI-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C1CC[NH+](C)CC1 ZINC000236831489 384584945 /nfs/dbraw/zinc/58/49/45/384584945.db2.gz NPQQVKXAKQNNFX-GFCCVEGCSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C2([NH3+])CC2)C1 ZINC000236825477 384585664 /nfs/dbraw/zinc/58/56/64/384585664.db2.gz MJFXBZRHHJFLIK-LLVKDONJSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC(C[NH3+])CC1 ZINC000236837332 384589169 /nfs/dbraw/zinc/58/91/69/384589169.db2.gz LEUJQXMYCYXASH-UHFFFAOYSA-N 2 0 227.352 0.526 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000517940976 384590119 /nfs/dbraw/zinc/59/01/19/384590119.db2.gz HQWPLPKUGJOASK-YIZRAAEISA-N 2 0 201.314 0.084 20 0 BCADRP CC[NH+](CC)CC[C@H](CO)[NH2+][C@H](C)[C@H](C)O ZINC000647530371 384608325 /nfs/dbraw/zinc/60/83/25/384608325.db2.gz AOINIOVZZQSQEU-GRYCIOLGSA-N 2 0 232.368 0.438 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000568247960 384608859 /nfs/dbraw/zinc/60/88/59/384608859.db2.gz CHJRMECHJLHYBP-STQMWFEESA-N 3 0 240.395 0.141 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000309803617 384627461 /nfs/dbraw/zinc/62/74/61/384627461.db2.gz RPMIYGFLTCBJOD-ZJUUUORDSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])C[NH+]1CCCCC1 ZINC000050464198 384628736 /nfs/dbraw/zinc/62/87/36/384628736.db2.gz PIMWGZSTSSJVQD-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000040920516 384631166 /nfs/dbraw/zinc/63/11/66/384631166.db2.gz CNVCGYFSNALGQJ-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCCC[NH3+] ZINC000040832457 384596422 /nfs/dbraw/zinc/59/64/22/384596422.db2.gz DCZKKKXQKACDOX-IUCAKERBSA-N 2 0 201.314 0.215 20 0 BCADRP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000556937589 384665728 /nfs/dbraw/zinc/66/57/28/384665728.db2.gz UOHFJFANBOOQPF-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)C(=O)N(C)C ZINC000086700540 384670745 /nfs/dbraw/zinc/67/07/45/384670745.db2.gz JWWQIQCOFMSMOX-VIFPVBQESA-N 2 0 213.325 0.052 20 0 BCADRP CC(C)[C@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000647531560 384634822 /nfs/dbraw/zinc/63/48/22/384634822.db2.gz FMSBKXDFCNKVSZ-OLZOCXBDSA-N 2 0 225.380 0.916 20 0 BCADRP Cn1ccnc1CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647532787 384640396 /nfs/dbraw/zinc/64/03/96/384640396.db2.gz DGPLWJLBTDQAHT-WDEREUQCSA-N 2 0 220.320 0.604 20 0 BCADRP C[C@]1(CN2CC[C@H]3CC[NH2+][C@@H]3C2)CC[NH2+]C1 ZINC000647534601 384646127 /nfs/dbraw/zinc/64/61/27/384646127.db2.gz ROYVXWHYHNHRCS-UPJWGTAASA-N 2 0 223.364 0.670 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000309827666 384648002 /nfs/dbraw/zinc/64/80/02/384648002.db2.gz XSIRTDPMCMDPEZ-UTLUCORTSA-N 2 0 213.325 0.308 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449595560 384653905 /nfs/dbraw/zinc/65/39/05/384653905.db2.gz UPIPMFDCNKRXJO-HLTSFMKQSA-N 2 0 201.314 0.212 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000044538759 384659222 /nfs/dbraw/zinc/65/92/22/384659222.db2.gz XFRWYLLGJNMWFY-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP Cn1nncc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545773 384725306 /nfs/dbraw/zinc/72/53/06/384725306.db2.gz PUBKILNSYWAKNS-RYUDHWBXSA-N 2 0 249.362 0.637 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H]1CCC[NH2+]C1 ZINC000647540158 384682061 /nfs/dbraw/zinc/68/20/61/384682061.db2.gz ZBUADLCSKAIRQY-SRVKXCTJSA-N 2 0 229.343 0.618 20 0 BCADRP COC[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000300359983 384687208 /nfs/dbraw/zinc/68/72/08/384687208.db2.gz QVNOYBUESTUPKG-WOPDTQHZSA-N 2 0 230.352 0.720 20 0 BCADRP C[C@@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)[C@H](C)[NH3+] ZINC000449603445 384687756 /nfs/dbraw/zinc/68/77/56/384687756.db2.gz QUGQRAXEWMLJDR-ZRUFSTJUSA-N 2 0 227.352 0.711 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC1C[NH2+]C1 ZINC000646901825 384694811 /nfs/dbraw/zinc/69/48/11/384694811.db2.gz PDJDUJMXCQJDFH-JTQLQIEISA-N 2 0 227.352 0.346 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])C[NH+]1CCCCC1 ZINC000050464200 384698019 /nfs/dbraw/zinc/69/80/19/384698019.db2.gz PIMWGZSTSSJVQD-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000449606834 384700493 /nfs/dbraw/zinc/70/04/93/384700493.db2.gz ZZGKKDXAQJPVBF-MRBYEJRBSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+]CC1(CC(=O)NCC2C[NH2+]C2)CCCCC1 ZINC000646902085 384711670 /nfs/dbraw/zinc/71/16/70/384711670.db2.gz ZUNVDEXXGYWFRF-UHFFFAOYSA-N 2 0 239.363 0.621 20 0 BCADRP C[C@@]1(CNC[C@@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000647546528 384730796 /nfs/dbraw/zinc/73/07/96/384730796.db2.gz OBRCRXWLKGLBFA-NWDGAFQWSA-N 2 0 211.353 0.718 20 0 BCADRP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000647546462 384730813 /nfs/dbraw/zinc/73/08/13/384730813.db2.gz LDZKPNUFNRZDGT-UTUOFQBUSA-N 2 0 211.353 0.716 20 0 BCADRP CC(C)C[C@H](C[NH3+])N[C@@H]1C[NH2+]C[C@H](C)C1 ZINC000647546511 384730991 /nfs/dbraw/zinc/73/09/91/384730991.db2.gz NBJYKNHHJGTFKU-UTUOFQBUSA-N 2 0 213.369 0.947 20 0 BCADRP CCNCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546371 384731161 /nfs/dbraw/zinc/73/11/61/384731161.db2.gz HTBKSEKWYLKKFK-IJLUTSLNSA-N 2 0 211.353 0.574 20 0 BCADRP C[C@]1(CNC[C@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000647546527 384731436 /nfs/dbraw/zinc/73/14/36/384731436.db2.gz OBRCRXWLKGLBFA-NEPJUHHUSA-N 2 0 211.353 0.718 20 0 BCADRP C[NH2+]CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546346 384731770 /nfs/dbraw/zinc/73/17/70/384731770.db2.gz HBDCNUZVEUQSTQ-GRYCIOLGSA-N 3 0 211.353 0.574 20 0 BCADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000647546713 384732789 /nfs/dbraw/zinc/73/27/89/384732789.db2.gz XHASCUMQPLOKDT-ZOBORPQBSA-N 3 0 237.391 0.964 20 0 BCADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000647546711 384733173 /nfs/dbraw/zinc/73/31/73/384733173.db2.gz XHASCUMQPLOKDT-XJFOESAGSA-N 3 0 237.391 0.964 20 0 BCADRP [NH3+][C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000647546819 384734240 /nfs/dbraw/zinc/73/42/40/384734240.db2.gz CTHGXLDBIANFRU-FDYHWXHSSA-N 3 0 223.364 0.701 20 0 BCADRP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]C[C@@H](C)C2)CC[NH2+]1 ZINC000647547207 384736115 /nfs/dbraw/zinc/73/61/15/384736115.db2.gz RBYMPNPUYFBKMD-WHOHXGKFSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648185960 384739400 /nfs/dbraw/zinc/73/94/00/384739400.db2.gz KMBCZGRHGVYJMS-NXEZZACHSA-N 2 0 225.336 0.372 20 0 BCADRP COC[C@]1(CN[C@@H]2C[NH2+]C[C@@H](C)C2)CCC[NH2+]1 ZINC000647547523 384739631 /nfs/dbraw/zinc/73/96/31/384739631.db2.gz YGMSQIQZWPRTLH-RWMBFGLXSA-N 2 0 241.379 0.343 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648185989 384739895 /nfs/dbraw/zinc/73/98/95/384739895.db2.gz LDGRWPRQJWPDNU-WYUUTHIRSA-N 2 0 249.358 0.243 20 0 BCADRP CC[C@]1(C(=O)N[C@@H](CC[NH3+])C(F)F)CCC[NH2+]1 ZINC000449621471 384742104 /nfs/dbraw/zinc/74/21/04/384742104.db2.gz HNUMXXCZJVXURZ-GZMMTYOYSA-N 2 0 249.305 0.617 20 0 BCADRP CC(C)N1CC[C@H]([NH2+]CC2CC[NH2+]CC2)C1=O ZINC000647549555 384747304 /nfs/dbraw/zinc/74/73/04/384747304.db2.gz HKCIZRGYVCNRNJ-LBPRGKRZSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CN([C@H]2C[NH2+]C[C@@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000647547778 384749721 /nfs/dbraw/zinc/74/97/21/384749721.db2.gz DGHXUQNILSYKQO-UMSGYPCISA-N 2 0 225.380 0.901 20 0 BCADRP CN(C(=O)[C@H]1[NH2+]CC1(C)C)C1CC[NH2+]CC1 ZINC000647673243 384750308 /nfs/dbraw/zinc/75/03/08/384750308.db2.gz GCRYHASRCQPEFW-SNVBAGLBSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H](CNC(=O)[C@](C)([NH3+])c1ccccc1)[NH+](C)C ZINC000052882400 384752649 /nfs/dbraw/zinc/75/26/49/384752649.db2.gz TVYWURHOODISPO-BXUZGUMPSA-N 2 0 249.358 0.927 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cnc2cnccn12 ZINC000647552095 384756642 /nfs/dbraw/zinc/75/66/42/384756642.db2.gz FXZONGZDWISBEO-NXEZZACHSA-N 2 0 233.319 0.945 20 0 BCADRP [NH3+]Cc1ccc(C[NH2+]CC2(C[NH3+])CC2)cc1 ZINC000647553182 384769248 /nfs/dbraw/zinc/76/92/48/384769248.db2.gz GQMWDGHOHDGHJP-UHFFFAOYSA-N 3 0 219.332 0.974 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000054133256 384822603 /nfs/dbraw/zinc/82/26/03/384822603.db2.gz XWWAGQDIZFJTRI-AWEZNQCLSA-N 2 0 249.358 0.928 20 0 BCADRP CC[NH+]1CCC(CNC(=O)C[NH+](C)C)CC1 ZINC000518225261 384825802 /nfs/dbraw/zinc/82/58/02/384825802.db2.gz JOJADGKCUNUKSV-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCc1nccn1CC(C)C ZINC000236917082 384830998 /nfs/dbraw/zinc/83/09/98/384830998.db2.gz UHBUMPGDVDTNCS-JTQLQIEISA-N 2 0 238.335 0.893 20 0 BCADRP C[C@H](C[NH2+]CC1(C)COC1)C[NH+](C)C ZINC000308586421 384831707 /nfs/dbraw/zinc/83/17/07/384831707.db2.gz SENHISLWPQPIQJ-SNVBAGLBSA-N 2 0 200.326 0.810 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000309737973 384785474 /nfs/dbraw/zinc/78/54/74/384785474.db2.gz GXHYFNFPQWRXDL-VWYCJHECSA-N 2 0 227.352 0.713 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C(C)(C)[NH3+])C1 ZINC000236899356 384788771 /nfs/dbraw/zinc/78/87/71/384788771.db2.gz IFHJPLVADUWMGF-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000648190238 384802657 /nfs/dbraw/zinc/80/26/57/384802657.db2.gz JQGWMVYUSOJLAT-SBFPOUOMSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000648190277 384802723 /nfs/dbraw/zinc/80/27/23/384802723.db2.gz NFIYJZGCNCOKDS-CIUDSAMLSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccnc(C[NH3+])c1 ZINC000648190258 384803041 /nfs/dbraw/zinc/80/30/41/384803041.db2.gz LFOXPTZLNANDSQ-DTWKUNHWSA-N 2 0 236.319 0.396 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000648190235 384803705 /nfs/dbraw/zinc/80/37/05/384803705.db2.gz JQGWMVYUSOJLAT-LSCVPOLPSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000648190157 384803942 /nfs/dbraw/zinc/80/39/42/384803942.db2.gz CJIAXRWRTCXCOA-GARJFASQSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648178166 384804002 /nfs/dbraw/zinc/80/40/02/384804002.db2.gz XEUDYDZSOSWWPT-SECBINFHSA-N 2 0 249.305 0.299 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449644632 384804050 /nfs/dbraw/zinc/80/40/50/384804050.db2.gz KBTKFLDJRQFRDT-ZJUUUORDSA-N 2 0 248.330 0.741 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000236902448 384808596 /nfs/dbraw/zinc/80/85/96/384808596.db2.gz QRCAIDMWVGWHPU-SNVBAGLBSA-N 2 0 213.325 0.135 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000646903794 384884834 /nfs/dbraw/zinc/88/48/34/384884834.db2.gz WFFJXLXNZWXLTK-GHMZBOCLSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCC[NH3+] ZINC000557215108 384887727 /nfs/dbraw/zinc/88/77/27/384887727.db2.gz SDXRYAHBZCVJBZ-SNVBAGLBSA-N 2 0 228.340 0.071 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648205688 384840121 /nfs/dbraw/zinc/84/01/21/384840121.db2.gz LJJDAGFWTXWTRR-GHMZBOCLSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648205689 384840729 /nfs/dbraw/zinc/84/07/29/384840729.db2.gz LJJDAGFWTXWTRR-MNOVXSKESA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCn1cncn1 ZINC000336672487 384846672 /nfs/dbraw/zinc/84/66/72/384846672.db2.gz SVFFIGBRFYQMCK-LLVKDONJSA-N 2 0 225.340 0.583 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648210081 384849615 /nfs/dbraw/zinc/84/96/15/384849615.db2.gz JKJMGLZWHYDKPA-QWRGUYRKSA-N 2 0 239.363 0.905 20 0 BCADRP C[C@]1(C[NH3+])CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000309511835 384849800 /nfs/dbraw/zinc/84/98/00/384849800.db2.gz XOCBIHAPFAZLMS-VXGBXAGGSA-N 2 0 211.353 0.657 20 0 BCADRP C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCC[NH2+]1 ZINC000423379335 384849854 /nfs/dbraw/zinc/84/98/54/384849854.db2.gz XEXITHFQPPIKLN-NNYUYHANSA-N 2 0 211.353 0.986 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648210093 384853386 /nfs/dbraw/zinc/85/33/86/384853386.db2.gz JTZDUZUEUOWPLJ-NXEZZACHSA-N 2 0 225.336 0.515 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648210136 384854780 /nfs/dbraw/zinc/85/47/80/384854780.db2.gz KVQXHBHRNXTBQZ-SNVBAGLBSA-N 2 0 225.336 0.387 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648210252 384854880 /nfs/dbraw/zinc/85/48/80/384854880.db2.gz NQMSKZMDZLUOQB-UWVGGRQHSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH+](C)CCCCNC(=O)c1c[nH+]ccc1N ZINC000127445916 384896918 /nfs/dbraw/zinc/89/69/18/384896918.db2.gz TYJBSFSOKBSICH-UHFFFAOYSA-N 2 0 236.319 0.735 20 0 BCADRP C[NH+](C)CC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364045867 384901515 /nfs/dbraw/zinc/90/15/15/384901515.db2.gz DDNBYVKJHQLKPY-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000491861382 384904461 /nfs/dbraw/zinc/90/44/61/384904461.db2.gz AMKIUFAVMHFNCR-AATRIKPKSA-N 2 0 239.363 0.657 20 0 BCADRP CCCN(C(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000449109677 384904750 /nfs/dbraw/zinc/90/47/50/384904750.db2.gz XJKJEDXTRXGJQC-IJLUTSLNSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000262654488 384905915 /nfs/dbraw/zinc/90/59/15/384905915.db2.gz BYHFSAHWZBPQAD-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]C[C@H](C(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000178531042 384959501 /nfs/dbraw/zinc/95/95/01/384959501.db2.gz NUSSYEPFHJLROF-AAEUAGOBSA-N 2 0 247.342 0.536 20 0 BCADRP C[NH+]1CCC(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000257755552 384925383 /nfs/dbraw/zinc/92/53/83/384925383.db2.gz ZYGASYFJVMVNSQ-NSHDSACASA-N 2 0 239.363 0.444 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)c1 ZINC000647607478 384936795 /nfs/dbraw/zinc/93/67/95/384936795.db2.gz ROLJZEDPRDEFDZ-JLLWLGSASA-N 2 0 231.299 0.834 20 0 BCADRP C[C@@H]([NH3+])c1ccc(CNC(=O)CC[NH3+])cc1 ZINC000564943725 384942309 /nfs/dbraw/zinc/94/23/09/384942309.db2.gz LHGDJVDQEKGFEH-SECBINFHSA-N 2 0 221.304 0.671 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000258884561 384942761 /nfs/dbraw/zinc/94/27/61/384942761.db2.gz USJPFFFPWOYMMN-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP Cc1cccc(CNC[C@H]2C[NH2+]CCN2C)c1 ZINC000258830741 384944903 /nfs/dbraw/zinc/94/49/03/384944903.db2.gz DCDPBXWOCDMMGM-CQSZACIVSA-N 2 0 233.359 0.988 20 0 BCADRP C[C@@H](O)C[N@H+](C)CCC[NH+](C)C[C@H](C)O ZINC000149857516 384948725 /nfs/dbraw/zinc/94/87/25/384948725.db2.gz XXTVCFLAYYEBCJ-PHIMTYICSA-N 2 0 218.341 0.002 20 0 BCADRP [NH3+][C@H]1CCN(CCC(=O)Nc2cccnc2)C1 ZINC000358320805 384966275 /nfs/dbraw/zinc/96/62/75/384966275.db2.gz MCZRWIMVUHCNMI-JTQLQIEISA-N 2 0 234.303 0.443 20 0 BCADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCC[NH2+]CC1 ZINC000647615181 384968285 /nfs/dbraw/zinc/96/82/85/384968285.db2.gz OUCJONHSFVBALV-VIFPVBQESA-N 2 0 247.289 0.053 20 0 BCADRP C[C@H](C(=O)NC(C)(C)C)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579456 384983879 /nfs/dbraw/zinc/98/38/79/384983879.db2.gz PANXLQFFOFELOF-MXWKQRLJSA-N 2 0 239.363 0.441 20 0 BCADRP CCCC[NH+]1CCC(NC(=O)CC[NH3+])CC1 ZINC000037005016 384987613 /nfs/dbraw/zinc/98/76/13/384987613.db2.gz UIRRSBJIPAKRBA-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP CCCC[NH+]1CCC(NC(=O)C[NH2+]C)CC1 ZINC000037005041 384988722 /nfs/dbraw/zinc/98/87/22/384988722.db2.gz WWUMHISOKWBNTM-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP COCC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177383131 384993206 /nfs/dbraw/zinc/99/32/06/384993206.db2.gz OTXDQHPDCHHRHZ-UHFFFAOYSA-N 2 0 243.395 0.591 20 0 BCADRP CCCCNC(=O)CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000310337600 384995207 /nfs/dbraw/zinc/99/52/07/384995207.db2.gz NENBILQDITWMAM-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH2+]C2(C)C)CC[N@@H+]1C ZINC000648148508 385000234 /nfs/dbraw/zinc/00/02/34/385000234.db2.gz LMYGSSXMJROWBQ-GMTAPVOTSA-N 2 0 239.363 0.583 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000310354571 385002223 /nfs/dbraw/zinc/00/22/23/385002223.db2.gz QIZHPEDQUPDZNR-YVECIDJPSA-N 2 0 244.379 0.702 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000226399620 385008364 /nfs/dbraw/zinc/00/83/64/385008364.db2.gz XOAAQPXVQOIIHW-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C[NH2+]CC1CC1 ZINC000226397014 385008947 /nfs/dbraw/zinc/00/89/47/385008947.db2.gz SXFJMFSLBJKIIJ-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000226398445 385009225 /nfs/dbraw/zinc/00/92/25/385009225.db2.gz GMFQYOXQIFXQJW-ONGXEEELSA-N 2 0 227.352 0.569 20 0 BCADRP C[N@H+](CCCCC1CCOCC1)C[C@H](O)C[NH3+] ZINC000310364763 385010515 /nfs/dbraw/zinc/01/05/15/385010515.db2.gz VRDODSGQJRAACX-CYBMUJFWSA-N 2 0 244.379 0.835 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000449723723 385058842 /nfs/dbraw/zinc/05/88/42/385058842.db2.gz LZPVEIJGMYGWSA-DTWKUNHWSA-N 2 0 234.303 0.351 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1C[NH2+]CCC1(F)F ZINC000647640674 385069016 /nfs/dbraw/zinc/06/90/16/385069016.db2.gz YBYITBLRIMAYRR-RKDXNWHRSA-N 2 0 247.289 0.099 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000646953898 385084693 /nfs/dbraw/zinc/08/46/93/385084693.db2.gz KGVCOLUDQOWARP-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000646930742 385073950 /nfs/dbraw/zinc/07/39/50/385073950.db2.gz MPNUEIZVUMPPKE-VXGBXAGGSA-N 2 0 239.363 0.489 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC000646930739 385075293 /nfs/dbraw/zinc/07/52/93/385075293.db2.gz MPNUEIZVUMPPKE-NEPJUHHUSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000646956072 385084930 /nfs/dbraw/zinc/08/49/30/385084930.db2.gz STRQBHCYPNCXAA-SDDRHHMPSA-N 2 0 239.363 0.666 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)[C@H](C)C[NH3+] ZINC000357179236 385081420 /nfs/dbraw/zinc/08/14/20/385081420.db2.gz UQYZDBNRNFUQHG-LLVKDONJSA-N 2 0 229.368 0.819 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH2+]C3)[C@@H]2C1 ZINC000564931627 385082561 /nfs/dbraw/zinc/08/25/61/385082561.db2.gz JVKNFRXJFDQDJP-IJLUTSLNSA-N 2 0 237.347 0.149 20 0 BCADRP C[C@@H](CC(=O)NCC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000156981283 385029917 /nfs/dbraw/zinc/02/99/17/385029917.db2.gz NKBUXQDENUBBRI-NWDGAFQWSA-N 2 0 241.379 0.690 20 0 BCADRP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226541053 385031335 /nfs/dbraw/zinc/03/13/35/385031335.db2.gz BEEYTMJNBZCQHP-GRYCIOLGSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H](CNC1=[NH+]CCCN1)C[NH+]1CCCC1 ZINC000340034662 385036450 /nfs/dbraw/zinc/03/64/50/385036450.db2.gz YILZZHYVJOVIHQ-NSHDSACASA-N 2 0 224.352 0.657 20 0 BCADRP C[C@@H](O)C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000644632262 385046065 /nfs/dbraw/zinc/04/60/65/385046065.db2.gz INJYNGMZWMMDMD-NEPJUHHUSA-N 2 0 230.352 0.458 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000646979413 385108060 /nfs/dbraw/zinc/10/80/60/385108060.db2.gz LGIDPYRHSCRYJY-GMTAPVOTSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000646979414 385109604 /nfs/dbraw/zinc/10/96/04/385109604.db2.gz LGIDPYRHSCRYJY-MXWKQRLJSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000165380949 385115263 /nfs/dbraw/zinc/11/52/63/385115263.db2.gz NAWJRUGVSFKBAI-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646987423 385115409 /nfs/dbraw/zinc/11/54/09/385115409.db2.gz WUAXHUYSCKXTQC-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000646988223 385117743 /nfs/dbraw/zinc/11/77/43/385117743.db2.gz JTRBRSDKGDTHLS-SDDRHHMPSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC000646993155 385119449 /nfs/dbraw/zinc/11/94/49/385119449.db2.gz JPNBZOYPWGBOKU-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000646988677 385119591 /nfs/dbraw/zinc/11/95/91/385119591.db2.gz XTRGNXVJPGGKPQ-MDZLAQPJSA-N 2 0 237.347 0.244 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)co1 ZINC000646988468 385120007 /nfs/dbraw/zinc/12/00/07/385120007.db2.gz QOPDQPPODCSGID-SNVBAGLBSA-N 2 0 237.303 0.610 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000646995771 385122851 /nfs/dbraw/zinc/12/28/51/385122851.db2.gz PXYHOHRDCNTBIL-WDEREUQCSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000647016092 385142783 /nfs/dbraw/zinc/14/27/83/385142783.db2.gz NKNAYEFLFMNBEF-WHOHXGKFSA-N 2 0 239.363 0.631 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061610586 385125312 /nfs/dbraw/zinc/12/53/12/385125312.db2.gz FEJAWNSTYFJWGZ-GFCCVEGCSA-N 2 0 235.331 0.407 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC000646991447 385125576 /nfs/dbraw/zinc/12/55/76/385125576.db2.gz AIIMCUOLNHNLKB-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000647642852 385125627 /nfs/dbraw/zinc/12/56/27/385125627.db2.gz QBOZKHDTCRZJCR-SECBINFHSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccn1 ZINC000646998087 385127886 /nfs/dbraw/zinc/12/78/86/385127886.db2.gz IQDBIUXNLVCKHI-GHMZBOCLSA-N 2 0 248.330 0.540 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000566246840 385142257 /nfs/dbraw/zinc/14/22/57/385142257.db2.gz GSCKEXYBAOFWQD-MMWGEVLESA-N 2 0 227.352 0.556 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000646998188 385131130 /nfs/dbraw/zinc/13/11/30/385131130.db2.gz UIMYXVDWPUCYOF-OPRDCNLKSA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000646998226 385132369 /nfs/dbraw/zinc/13/23/69/385132369.db2.gz XDEOIXQATKPDOD-CSMHCCOUSA-N 2 0 235.278 0.355 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCOCC(F)F ZINC000404882353 385142385 /nfs/dbraw/zinc/14/23/85/385142385.db2.gz GQSAQRUUAHUNIP-HTQZYQBOSA-N 2 0 222.279 0.984 20 0 BCADRP [NH3+]CC1(CC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000646996548 385135121 /nfs/dbraw/zinc/13/51/21/385135121.db2.gz HKTZBNKGSTUZOM-VHSXEESVSA-N 2 0 225.336 0.502 20 0 BCADRP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH3+] ZINC000647009788 385135337 /nfs/dbraw/zinc/13/53/37/385135337.db2.gz IYRRTQRTTOUAAZ-NEPJUHHUSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@H]1CN(C(=O)[C@H]([NH3+])C(C)C)CC[C@@H]1[NH3+] ZINC000647015762 385139558 /nfs/dbraw/zinc/13/95/58/385139558.db2.gz ZGLUGEZKZAMJRS-GARJFASQSA-N 2 0 227.352 0.556 20 0 BCADRP CC[C@@H]1CN(C(=O)C2(C)C[NH2+]C2)CC[C@@H]1[NH3+] ZINC000647005488 385139713 /nfs/dbraw/zinc/13/97/13/385139713.db2.gz AMYXQRJRYZAAAO-ZJUUUORDSA-N 2 0 225.336 0.182 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H](C)C[NH2+]C)CC[C@H]1[NH3+] ZINC000647015369 385140036 /nfs/dbraw/zinc/14/00/36/385140036.db2.gz OPHVTAHOXHLRNZ-HBNTYKKESA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449748237 385140352 /nfs/dbraw/zinc/14/03/52/385140352.db2.gz BAXWNFZNSUEGEU-JTQLQIEISA-N 2 0 227.352 0.583 20 0 BCADRP CC(C)([NH3+])CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000646966012 385089982 /nfs/dbraw/zinc/08/99/82/385089982.db2.gz WGCUABHEZLSWKT-GFCCVEGCSA-N 2 0 227.352 0.620 20 0 BCADRP CC[C@@H]1CN(C(=O)CC2(C[NH3+])CC2)CC[C@@H]1[NH3+] ZINC000647005964 385140938 /nfs/dbraw/zinc/14/09/38/385140938.db2.gz IPTWFIXPRYLSMZ-MNOVXSKESA-N 2 0 239.363 0.701 20 0 BCADRP CC[C@@H]1CN(C(=O)C[NH2+]CC2CC2)CC[C@@H]1[NH3+] ZINC000647015686 385141035 /nfs/dbraw/zinc/14/10/35/385141035.db2.gz XMPZMKYNNXHHTI-NEPJUHHUSA-N 2 0 239.363 0.572 20 0 BCADRP COC[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)OC ZINC000404842984 385103399 /nfs/dbraw/zinc/10/33/99/385103399.db2.gz CHRCPQRULVJOPB-AEJSXWLSSA-N 2 0 216.325 0.363 20 0 BCADRP [NH3+]CCOCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000646974953 385103565 /nfs/dbraw/zinc/10/35/65/385103565.db2.gz OZULYTVXXGFQJL-UHFFFAOYSA-N 2 0 223.276 0.059 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000566246843 385141305 /nfs/dbraw/zinc/14/13/05/385141305.db2.gz GSCKEXYBAOFWQD-ZDCRXTMVSA-N 2 0 227.352 0.556 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCC1=CC[NH2+]CC1 ZINC000646976690 385106071 /nfs/dbraw/zinc/10/60/71/385106071.db2.gz CZXRUOPAQRYZRJ-LLVKDONJSA-N 2 0 225.336 0.396 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000564956268 385184929 /nfs/dbraw/zinc/18/49/29/385184929.db2.gz IMWNOMSURWBQFF-NAKRPEOUSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000647051323 385186382 /nfs/dbraw/zinc/18/63/82/385186382.db2.gz OEEFPFOAXSGSOE-QWRGUYRKSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000647051236 385186557 /nfs/dbraw/zinc/18/65/57/385186557.db2.gz BPFWAFWNROVCMZ-GMTAPVOTSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)CC1([NH3+])CCC1 ZINC000647051407 385187191 /nfs/dbraw/zinc/18/71/91/385187191.db2.gz YPJZDVIIVHBTPG-SNVBAGLBSA-N 2 0 227.352 0.892 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062972017 385199689 /nfs/dbraw/zinc/19/96/89/385199689.db2.gz VJWQHOQVGHCDCY-QWRGUYRKSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000647018336 385142869 /nfs/dbraw/zinc/14/28/69/385142869.db2.gz BVPDMKIUEUQBJL-WOPDTQHZSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@H]1C[C@H](NC(=O)c2ccc(C[NH3+])o2)CC[NH2+]1 ZINC000647018088 385142928 /nfs/dbraw/zinc/14/29/28/385142928.db2.gz CMPIJFGOJKSMHI-DTWKUNHWSA-N 2 0 237.303 0.609 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000647018126 385142943 /nfs/dbraw/zinc/14/29/43/385142943.db2.gz HJOGHCBODYGFJB-LMLFDSFASA-N 2 0 225.336 0.241 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CC2([NH3+])CCC2)CC[NH2+]1 ZINC000647018141 385142993 /nfs/dbraw/zinc/14/29/93/385142993.db2.gz ILDQPXYOJTYFLJ-ZJUUUORDSA-N 2 0 225.336 0.515 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H](C)[NH3+])[C@H](C)[NH3+] ZINC000647020863 385147984 /nfs/dbraw/zinc/14/79/84/385147984.db2.gz PSVWYEYQWKTGTA-CIUDSAMLSA-N 2 0 201.314 0.069 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@H](C)[NH3+])[C@H](C)[NH3+] ZINC000647020865 385149370 /nfs/dbraw/zinc/14/93/70/385149370.db2.gz PSVWYEYQWKTGTA-XHNCKOQMSA-N 2 0 201.314 0.069 20 0 BCADRP [NH3+]CCCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479898 385155107 /nfs/dbraw/zinc/15/51/07/385155107.db2.gz XWDFMLIJJBCNGA-RYUDHWBXSA-N 2 0 211.353 0.799 20 0 BCADRP C[C@H]([NH3+])CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000647023254 385155904 /nfs/dbraw/zinc/15/59/04/385155904.db2.gz UZERCWFLRLEGIP-QMMMGPOBSA-N 2 0 219.288 0.367 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000422612265 385159732 /nfs/dbraw/zinc/15/97/32/385159732.db2.gz UNLQTXSSQWUZPX-NXEZZACHSA-N 2 0 242.367 0.683 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000647030176 385162086 /nfs/dbraw/zinc/16/20/86/385162086.db2.gz GWSUIFHFHBDFDP-PWSUYJOCSA-N 2 0 227.352 0.557 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000647035845 385172617 /nfs/dbraw/zinc/17/26/17/385172617.db2.gz DHZRQMATQYZEMX-DCAQKATOSA-N 2 0 243.326 0.144 20 0 BCADRP COC[C@]1(CNC(=O)CCCC[NH3+])CCC[NH2+]1 ZINC000647042088 385179044 /nfs/dbraw/zinc/17/90/44/385179044.db2.gz NIHVKLDBUGVTLO-GFCCVEGCSA-N 2 0 243.351 0.000 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647060816 385207347 /nfs/dbraw/zinc/20/73/47/385207347.db2.gz WHWAMFQAFBBBCE-KKOKHZNYSA-N 2 0 239.363 0.428 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)CCC[NH3+] ZINC000647062721 385211702 /nfs/dbraw/zinc/21/17/02/385211702.db2.gz VYGXNBMHMFADFS-VHSXEESVSA-N 2 0 215.341 0.603 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647068675 385215873 /nfs/dbraw/zinc/21/58/73/385215873.db2.gz GZCSMBSHFAABME-PKZYVASSSA-N 2 0 239.363 0.474 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000647069151 385216173 /nfs/dbraw/zinc/21/61/73/385216173.db2.gz SROOQGARGCTVQH-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000647090309 385256385 /nfs/dbraw/zinc/25/63/85/385256385.db2.gz KQDNAVADPQLMDL-VIFPVBQESA-N 2 0 213.325 0.052 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000647071078 385217355 /nfs/dbraw/zinc/21/73/55/385217355.db2.gz QQJCITUPNKSPOA-CIUDSAMLSA-N 2 0 249.305 0.473 20 0 BCADRP COCCOCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000164671058 385226670 /nfs/dbraw/zinc/22/66/70/385226670.db2.gz LUYVQBQPOCSJOK-RYUDHWBXSA-N 2 0 230.352 0.566 20 0 BCADRP C[C@@H](CNC(=O)[C@H]([NH3+])CC(F)F)[NH+](C)C ZINC000308872356 385228192 /nfs/dbraw/zinc/22/81/92/385228192.db2.gz ZMOVRQJEMOZNLF-NKWVEPMBSA-N 2 0 223.267 0.035 20 0 BCADRP CCOCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252717078 385228632 /nfs/dbraw/zinc/22/86/32/385228632.db2.gz ZSFLLMWVKGXAGJ-MNOVXSKESA-N 2 0 200.326 0.953 20 0 BCADRP [NH3+]C1(CC(=O)NCCC[C@H]2CCC[NH2+]2)CCC1 ZINC000647077295 385231965 /nfs/dbraw/zinc/23/19/65/385231965.db2.gz MSIMRNPLNYVAEE-LLVKDONJSA-N 2 0 239.363 0.906 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000647073637 385232498 /nfs/dbraw/zinc/23/24/98/385232498.db2.gz ITAOFGDVZSOPQA-HBNTYKKESA-N 2 0 239.363 0.761 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649618 385235901 /nfs/dbraw/zinc/23/59/01/385235901.db2.gz KHADRUWTDZBPGA-CMPLNLGQSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC[NH2+]1 ZINC000259321753 385243306 /nfs/dbraw/zinc/24/33/06/385243306.db2.gz XEYWCNUWCVWWBF-QWRGUYRKSA-N 2 0 225.336 0.149 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000647082764 385243467 /nfs/dbraw/zinc/24/34/67/385243467.db2.gz GTSNBGQCRBOTGE-BDAKNGLRSA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)C1([NH3+])CC1)C2 ZINC000364195097 385246050 /nfs/dbraw/zinc/24/60/50/385246050.db2.gz BIUUHCMMDWLDLI-KOLCDFICSA-N 2 0 223.320 0.208 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000647084372 385246864 /nfs/dbraw/zinc/24/68/64/385246864.db2.gz SMWOWCFHVNPXNS-ZYHUDNBSSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]CCC[C@H](NC(=O)CC[NH3+])c1ccccc1 ZINC000647085200 385248218 /nfs/dbraw/zinc/24/82/18/385248218.db2.gz UYIMMLJCBXLEET-LBPRGKRZSA-N 2 0 235.331 0.932 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000647086078 385248516 /nfs/dbraw/zinc/24/85/16/385248516.db2.gz GIBODCMHAQYMQM-DCAQKATOSA-N 2 0 225.336 0.467 20 0 BCADRP CN(C(=O)C[C@H]1CC[NH2+]C1)[C@@H](C[NH3+])C1CC1 ZINC000647085524 385250058 /nfs/dbraw/zinc/25/00/58/385250058.db2.gz LRMMHFNMUPBCOO-KOLCDFICSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC(F)F)C[C@@H]1C[NH3+] ZINC000647086754 385251788 /nfs/dbraw/zinc/25/17/88/385251788.db2.gz BRGICRXIXBOWJH-VGMNWLOBSA-N 2 0 249.305 0.412 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC(F)F)C[C@@H]1C[NH3+] ZINC000647086752 385251899 /nfs/dbraw/zinc/25/18/99/385251899.db2.gz BRGICRXIXBOWJH-HRDYMLBCSA-N 2 0 249.305 0.412 20 0 BCADRP CN(CC[NH3+])C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647088696 385254640 /nfs/dbraw/zinc/25/46/40/385254640.db2.gz USKPYYCXAUDXNF-WDEREUQCSA-N 2 0 225.336 0.039 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000336374613 385203454 /nfs/dbraw/zinc/20/34/54/385203454.db2.gz NIMYPXUFOUAIDI-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237048371 385273002 /nfs/dbraw/zinc/27/30/02/385273002.db2.gz FOTSMPRDSNGABZ-SRVKXCTJSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH+](C)CCCC[NH2+]Cc1csnn1 ZINC000045663925 385273443 /nfs/dbraw/zinc/27/34/43/385273443.db2.gz OUWWLDKFDVYQOP-UHFFFAOYSA-N 2 0 214.338 0.970 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCC[NH3+])C1 ZINC000237045568 385276596 /nfs/dbraw/zinc/27/65/96/385276596.db2.gz KVUZQEROKHXECH-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP CO[C@@H](C[NH2+]CC1(O)CC[NH+](C)CC1)C1CC1 ZINC000400117951 385290163 /nfs/dbraw/zinc/29/01/63/385290163.db2.gz JRZPMGFUWZEHGM-LBPRGKRZSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000164992249 385334203 /nfs/dbraw/zinc/33/42/03/385334203.db2.gz YTJDKMQWBPUULC-VHSXEESVSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCCC[NH+](C)C ZINC000165016931 385340094 /nfs/dbraw/zinc/34/00/94/385340094.db2.gz YIPVTWGMTMMWPU-DTWKUNHWSA-N 2 0 201.314 0.038 20 0 BCADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)/C=C\C[NH+](C)C ZINC000492344863 385361163 /nfs/dbraw/zinc/36/11/63/385361163.db2.gz WHLKPZLAEMLHSV-UXFRKABBSA-N 2 0 239.363 0.655 20 0 BCADRP C[C@@H]1[C@H](C)N(C(=O)/C=C\C[NH+](C)C)CC[N@H+]1C ZINC000492344862 385361523 /nfs/dbraw/zinc/36/15/23/385361523.db2.gz WHLKPZLAEMLHSV-PBWNMSGQSA-N 2 0 239.363 0.655 20 0 BCADRP CCN(C)C(=O)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000179149066 385369240 /nfs/dbraw/zinc/36/92/40/385369240.db2.gz JSUDFTXQTLKFAK-SDDRHHMPSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCCOCCO)CC[N@@H+]1C ZINC000180241494 385387326 /nfs/dbraw/zinc/38/73/26/385387326.db2.gz RBOUBLHANVZIKD-RYUDHWBXSA-N 2 0 230.352 0.458 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]1CCCC[NH2+]1)[C@H](C)[NH3+] ZINC000644080500 385424718 /nfs/dbraw/zinc/42/47/18/385424718.db2.gz QPXHIUKLRMIDRJ-TUAOUCFPSA-N 2 0 241.379 0.864 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000644080409 385425283 /nfs/dbraw/zinc/42/52/83/385425283.db2.gz MEXZVDQULNMGTK-NXEZZACHSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000180896571 385397860 /nfs/dbraw/zinc/39/78/60/385397860.db2.gz ZFVBTQZANSDKTI-ONGXEEELSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000193545465 385400786 /nfs/dbraw/zinc/40/07/86/385400786.db2.gz IZDNWHYIPNWILH-CMPLNLGQSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1([NH3+])CCCC1 ZINC000193545335 385400942 /nfs/dbraw/zinc/40/09/42/385400942.db2.gz IYDYZEUAQMOMFT-UWVGGRQHSA-N 2 0 225.336 0.515 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000193566451 385402693 /nfs/dbraw/zinc/40/26/93/385402693.db2.gz ALTKNOAHQHZACR-GARJFASQSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@@H]1C[C@H]1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309099408 385408989 /nfs/dbraw/zinc/40/89/89/385408989.db2.gz FBQWBZUYMKRCLD-MNOVXSKESA-N 2 0 212.337 0.689 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000644064495 385413499 /nfs/dbraw/zinc/41/34/99/385413499.db2.gz LLVMXCIMZZBVSL-MFKMUULPSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000644065462 385414497 /nfs/dbraw/zinc/41/44/97/385414497.db2.gz PYEMKDRCMVNTDW-SKDRFNHKSA-N 2 0 227.352 0.474 20 0 BCADRP [NH3+]C[C@H](C(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000178731481 385415186 /nfs/dbraw/zinc/41/51/86/385415186.db2.gz RMVYQNCYFXKAEM-OLZOCXBDSA-N 2 0 247.342 0.597 20 0 BCADRP [NH3+]C[C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000178731447 385415329 /nfs/dbraw/zinc/41/53/29/385415329.db2.gz RMVYQNCYFXKAEM-QWHCGFSZSA-N 2 0 247.342 0.597 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000644068858 385417631 /nfs/dbraw/zinc/41/76/31/385417631.db2.gz UBGNIUAMOLZWGO-DTWKUNHWSA-N 2 0 247.289 0.085 20 0 BCADRP [NH3+]C[C@H](C(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000179104188 385442017 /nfs/dbraw/zinc/44/20/17/385442017.db2.gz AFDSNTHGKAXDGQ-STQMWFEESA-N 2 0 247.342 0.597 20 0 BCADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)C1([NH3+])CC1 ZINC000644092404 385444141 /nfs/dbraw/zinc/44/41/41/385444141.db2.gz MXDWVFLGTZCOFB-JTQLQIEISA-N 2 0 249.314 0.303 20 0 BCADRP CN(Cc1cccnc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289428475 385445031 /nfs/dbraw/zinc/44/50/31/385445031.db2.gz XIHHHFPRBXRSGP-CQSZACIVSA-N 2 0 249.358 0.969 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644084989 385430161 /nfs/dbraw/zinc/43/01/61/385430161.db2.gz AEDWRHZGZFSEMD-SSDOTTSWSA-N 2 0 235.278 0.085 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CCCCC[NH2+]1 ZINC000364463765 385457244 /nfs/dbraw/zinc/45/72/44/385457244.db2.gz GGOADKZSEDGKIO-QWRGUYRKSA-N 2 0 225.336 0.387 20 0 BCADRP [NH3+]Cc1cc(C(=O)NCC[NH2+]C2CC2)ccn1 ZINC000644084251 385434035 /nfs/dbraw/zinc/43/40/35/385434035.db2.gz PWFQIOPBHKIKCT-UHFFFAOYSA-N 2 0 234.303 0.022 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364583427 385478457 /nfs/dbraw/zinc/47/84/57/385478457.db2.gz VJKNIWRTMJBAKI-WCFLWFBJSA-N 2 0 239.363 0.476 20 0 BCADRP [NH3+][C@H](CCC(=O)NCC1C[NH2+]C1)c1ccccc1 ZINC000644105035 385479314 /nfs/dbraw/zinc/47/93/14/385479314.db2.gz UAVOOACYTLWPFF-CYBMUJFWSA-N 2 0 247.342 0.802 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364573777 385479957 /nfs/dbraw/zinc/47/99/57/385479957.db2.gz CLDCGRHZFMELBZ-WZRBSPASSA-N 2 0 239.363 0.476 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2CC[NH2+]CC2)C1 ZINC000257701292 385488534 /nfs/dbraw/zinc/48/85/34/385488534.db2.gz ODRYIYUOQFVUKB-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000257647062 385480651 /nfs/dbraw/zinc/48/06/51/385480651.db2.gz ANCFBPJWDBDUSN-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000364646819 385484982 /nfs/dbraw/zinc/48/49/82/385484982.db2.gz NWMFDAGBHWYOOT-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000257670657 385485093 /nfs/dbraw/zinc/48/50/93/385485093.db2.gz GINCEYOXQWEWGF-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000257675138 385485343 /nfs/dbraw/zinc/48/53/43/385485343.db2.gz HKVQMEPZRSGTNU-NEPJUHHUSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@]([NH3+])(C(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000195231765 385463720 /nfs/dbraw/zinc/46/37/20/385463720.db2.gz DVPWNEUZONVSEJ-SMDDNHRTSA-N 2 0 247.342 0.668 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000257753624 385496031 /nfs/dbraw/zinc/49/60/31/385496031.db2.gz ZJJNCMUDZBDKDS-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000257747618 385496369 /nfs/dbraw/zinc/49/63/69/385496369.db2.gz ZECUMRTXXLCCBC-GFCCVEGCSA-N 2 0 241.379 0.914 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000257770252 385498449 /nfs/dbraw/zinc/49/84/49/385498449.db2.gz KMQFBXDCJFBXEU-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1CC[NH2+]1 ZINC000309243272 385498545 /nfs/dbraw/zinc/49/85/45/385498545.db2.gz BIAQLYSMQUXGBA-VHSXEESVSA-N 2 0 213.325 0.180 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644122275 385499423 /nfs/dbraw/zinc/49/94/23/385499423.db2.gz TXINQZFEHJGINN-BDAKNGLRSA-N 2 0 249.305 0.345 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](C)C[NH3+] ZINC000309250115 385499542 /nfs/dbraw/zinc/49/95/42/385499542.db2.gz DQJKBWTZBCSHNU-ZJUUUORDSA-N 2 0 215.341 0.413 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644126383 385503474 /nfs/dbraw/zinc/50/34/74/385503474.db2.gz QYARLXQICLEKNN-ZNSHCXBVSA-N 2 0 239.363 0.487 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000644130363 385509471 /nfs/dbraw/zinc/50/94/71/385509471.db2.gz BQLGSYDNQSFZJH-SKDRFNHKSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H](C)[NH2+]C1CC1 ZINC000449072878 385513474 /nfs/dbraw/zinc/51/34/74/385513474.db2.gz HBCGMZBKSHIPPM-JBLDHEPKSA-N 2 0 239.363 0.855 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000206532052 385489939 /nfs/dbraw/zinc/48/99/39/385489939.db2.gz XGLJNUMVBXVQML-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000644144843 385536085 /nfs/dbraw/zinc/53/60/85/385536085.db2.gz OTZXXBAUSMAECS-VIFPVBQESA-N 2 0 225.336 0.230 20 0 BCADRP CN(C(=O)[C@H]1[NH2+]CC1(C)C)C1(C[NH3+])CCC1 ZINC000644139667 385524058 /nfs/dbraw/zinc/52/40/58/385524058.db2.gz HVBLZQCZZVXAOK-SECBINFHSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](C[NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000644139898 385524843 /nfs/dbraw/zinc/52/48/43/385524843.db2.gz RMUGUSYPHORBBQ-VIFPVBQESA-N 2 0 249.314 0.702 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H](C)[NH3+] ZINC000644142297 385525556 /nfs/dbraw/zinc/52/55/56/385525556.db2.gz MGMLNMPBVYQWDC-XWLWVQCSSA-N 2 0 245.342 0.422 20 0 BCADRP CC(C)([NH3+])CCC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000647703591 385574386 /nfs/dbraw/zinc/57/43/86/385574386.db2.gz ULCJWWDXPKHICJ-SNVBAGLBSA-N 2 0 227.352 0.762 20 0 BCADRP CC(C)([NH3+])CCC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000647696215 385554887 /nfs/dbraw/zinc/55/48/87/385554887.db2.gz AXCWTYDJNHFSPZ-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000364990976 385557983 /nfs/dbraw/zinc/55/79/83/385557983.db2.gz XIVRUYOSRKRUJG-SDDRHHMPSA-N 2 0 239.363 0.666 20 0 BCADRP COC(=O)CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000309381418 385559135 /nfs/dbraw/zinc/55/91/35/385559135.db2.gz RODXZURHJPLDEI-AXFHLTTASA-N 2 0 226.320 0.609 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C(C)(C)C[NH3+] ZINC000309406696 385572596 /nfs/dbraw/zinc/57/25/96/385572596.db2.gz IAYJMVVPKZIMDC-UHFFFAOYSA-N 2 0 215.341 0.415 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000366558942 385595906 /nfs/dbraw/zinc/59/59/06/385595906.db2.gz XENVSZSOYFZVBM-MMWGEVLESA-N 2 0 243.326 0.320 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309467456 385597200 /nfs/dbraw/zinc/59/72/00/385597200.db2.gz PTYSVJKCNFYGLK-WDEREUQCSA-N 2 0 230.352 0.456 20 0 BCADRP C[C@@H](CCO)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000647908989 385604412 /nfs/dbraw/zinc/60/44/12/385604412.db2.gz DGNHTDAXKBATRH-NSHDSACASA-N 2 0 244.379 0.582 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000309452830 385585496 /nfs/dbraw/zinc/58/54/96/385585496.db2.gz MXELHUSMXKWFBS-VIFPVBQESA-N 2 0 211.309 0.078 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000309485926 385614327 /nfs/dbraw/zinc/61/43/27/385614327.db2.gz GKVYNIVMOXTGPK-ZJUUUORDSA-N 2 0 213.325 0.243 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000082651675 385627745 /nfs/dbraw/zinc/62/77/45/385627745.db2.gz XRGJNIPRTRWWDF-NEPJUHHUSA-N 2 0 222.336 0.942 20 0 BCADRP C(CN1CCC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000309536535 385676898 /nfs/dbraw/zinc/67/68/98/385676898.db2.gz FLMIOWCQQKAOGD-CHWSQXEVSA-N 2 0 223.364 0.909 20 0 BCADRP C[C@@H](CNC1CC[NH+](C)CC1)C[NH+](C)C ZINC000336685216 385683915 /nfs/dbraw/zinc/68/39/15/385683915.db2.gz KPGUCINXASEHKU-NSHDSACASA-N 2 0 213.369 0.868 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOC)[C@@H](C)C1 ZINC000221709909 385687752 /nfs/dbraw/zinc/68/77/52/385687752.db2.gz HMFIFEJCTXNYAI-WDEREUQCSA-N 2 0 200.326 0.953 20 0 BCADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000414863874 385760601 /nfs/dbraw/zinc/76/06/01/385760601.db2.gz JKXKWTFNKRIZPJ-IJLUTSLNSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000414863872 385762154 /nfs/dbraw/zinc/76/21/54/385762154.db2.gz JKXKWTFNKRIZPJ-GRYCIOLGSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@H]1CCC[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000414865380 385769426 /nfs/dbraw/zinc/76/94/26/385769426.db2.gz LCDKPOPCVITQAZ-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647799277 385799024 /nfs/dbraw/zinc/79/90/24/385799024.db2.gz CFLOWEOWCUYTQV-HHHUOAJASA-N 2 0 210.321 0.487 20 0 BCADRP C1=C(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC000647799678 385799748 /nfs/dbraw/zinc/79/97/48/385799748.db2.gz NSXRYYIWQIXDFU-MELADBBJSA-N 3 0 235.375 0.884 20 0 BCADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC[NH2+]CC1 ZINC000647799389 385800026 /nfs/dbraw/zinc/80/00/26/385800026.db2.gz DUCNDHMTTLSWSC-HZSPNIEDSA-N 3 0 237.391 0.964 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647799830 385801031 /nfs/dbraw/zinc/80/10/31/385801031.db2.gz QHUMLYMKUFNDAR-RXGFPQBGSA-N 2 0 240.347 0.378 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000340157386 385805256 /nfs/dbraw/zinc/80/52/56/385805256.db2.gz WEWTUXBSCYNQNY-AXFHLTTASA-N 2 0 227.352 0.700 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000261730182 385828420 /nfs/dbraw/zinc/82/84/20/385828420.db2.gz LNTSLGZBYYIKQS-JQWIXIFHSA-N 2 0 235.331 0.719 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000261806668 385830542 /nfs/dbraw/zinc/83/05/42/385830542.db2.gz SICXLMUCBNKQKX-GXFFZTMASA-N 2 0 247.342 0.425 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000340184669 385830885 /nfs/dbraw/zinc/83/08/85/385830885.db2.gz HNTYYXNKAPTEGH-ZJUUUORDSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CO[C@H](C)C1 ZINC000647804248 385840581 /nfs/dbraw/zinc/84/05/81/385840581.db2.gz MRMBPIUUUWZDPR-LDMBFOFVSA-N 2 0 228.336 0.506 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000262436999 385845918 /nfs/dbraw/zinc/84/59/18/385845918.db2.gz MBJJNFKXQHNFJS-CHWSQXEVSA-N 2 0 247.342 0.945 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000262427158 385846364 /nfs/dbraw/zinc/84/63/64/385846364.db2.gz CYNFIJBYKUHRKG-LLVKDONJSA-N 2 0 235.331 0.711 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000647807002 385854219 /nfs/dbraw/zinc/85/42/19/385854219.db2.gz GKYNNXWTERHGPT-LBPRGKRZSA-N 2 0 227.352 0.748 20 0 BCADRP Cn1nccc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000069729555 385854680 /nfs/dbraw/zinc/85/46/80/385854680.db2.gz LUIZGABJBJFWMF-UHFFFAOYSA-N 2 0 222.336 0.981 20 0 BCADRP CC[C@H](COC)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309687898 385788550 /nfs/dbraw/zinc/78/85/50/385788550.db2.gz HYZSKRVJRYSRIO-LLVKDONJSA-N 2 0 230.352 0.458 20 0 BCADRP CC[C@@H](COC)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309687899 385788659 /nfs/dbraw/zinc/78/86/59/385788659.db2.gz HYZSKRVJRYSRIO-NSHDSACASA-N 2 0 230.352 0.458 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCCNC2)CC[NH2+]1 ZINC000414867024 385795193 /nfs/dbraw/zinc/79/51/93/385795193.db2.gz NUGOSWHTALOCLQ-UTUOFQBUSA-N 2 0 211.353 0.716 20 0 BCADRP CCN(C)C(=O)CC[N@H+](C)CCC[NH3+] ZINC000647847401 385896398 /nfs/dbraw/zinc/89/63/98/385896398.db2.gz PETXATZTFHALJR-UHFFFAOYSA-N 2 0 201.314 0.135 20 0 BCADRP C[N@H+](CCC[NH3+])CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000647847544 385899060 /nfs/dbraw/zinc/89/90/60/385899060.db2.gz SSAXFCWNPNMGBZ-TXEJJXNPSA-N 2 0 227.352 0.130 20 0 BCADRP CC[NH2+]CC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647854913 385910545 /nfs/dbraw/zinc/91/05/45/385910545.db2.gz JCZPFWSBFUQTSH-CYBMUJFWSA-N 3 0 225.380 0.917 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000262983816 385914261 /nfs/dbraw/zinc/91/42/61/385914261.db2.gz YZOOMZOPVFJFCK-GXFFZTMASA-N 2 0 235.331 0.714 20 0 BCADRP CCC[NH2+]CC[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414877480 385919745 /nfs/dbraw/zinc/91/97/45/385919745.db2.gz XPNPMZHHKPJGQG-NEPJUHHUSA-N 3 0 213.369 0.964 20 0 BCADRP CCC[NH2+]CC[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414877486 385920192 /nfs/dbraw/zinc/92/01/92/385920192.db2.gz XPNPMZHHKPJGQG-VXGBXAGGSA-N 3 0 213.369 0.964 20 0 BCADRP C[C@@H]1C[C@H](N(C)C(=O)C2(C)C[NH2+]C2)CC[N@@H+]1C ZINC000335032297 385921082 /nfs/dbraw/zinc/92/10/82/385921082.db2.gz NQDWFLFNIQKKCO-GHMZBOCLSA-N 2 0 239.363 0.537 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000294955325 385924210 /nfs/dbraw/zinc/92/42/10/385924210.db2.gz FOYAKIRSXAHZHN-LLVKDONJSA-N 2 0 235.331 0.848 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000647811049 385863032 /nfs/dbraw/zinc/86/30/32/385863032.db2.gz QEHOGYRGWAAWNE-YUMQZZPRSA-N 2 0 235.278 0.037 20 0 BCADRP Cn1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1=O ZINC000647811482 385863888 /nfs/dbraw/zinc/86/38/88/385863888.db2.gz ZYGLIELTHSBXPY-UHFFFAOYSA-N 2 0 235.331 0.556 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000262610135 385865301 /nfs/dbraw/zinc/86/53/01/385865301.db2.gz BOOMZNZGSPCZJX-QWHCGFSZSA-N 2 0 247.342 0.863 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000647824964 385866638 /nfs/dbraw/zinc/86/66/38/385866638.db2.gz JRAYWNGCOATBGT-BDAKNGLRSA-N 2 0 249.305 0.331 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N(C1CC1)C1CC[NH2+]CC1 ZINC000647814297 385867843 /nfs/dbraw/zinc/86/78/43/385867843.db2.gz HJIAZKYYDMCWDU-LLVKDONJSA-N 2 0 223.364 0.812 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000647816900 385869226 /nfs/dbraw/zinc/86/92/26/385869226.db2.gz ANXMEAFKNLQUKY-JFGNBEQYSA-N 2 0 225.336 0.324 20 0 BCADRP C[N@H+](CCCn1ccnc1)CC(C)(CO)CO ZINC000272027832 385869481 /nfs/dbraw/zinc/86/94/81/385869481.db2.gz WAYUARDIKRKOKA-UHFFFAOYSA-N 2 0 241.335 0.196 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000647818173 385870732 /nfs/dbraw/zinc/87/07/32/385870732.db2.gz AJBBSVGAFIPHGQ-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)[C@H]1C[NH3+] ZINC000647819645 385870973 /nfs/dbraw/zinc/87/09/73/385870973.db2.gz RCRNLDJOPGTBOT-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000647818174 385870976 /nfs/dbraw/zinc/87/09/76/385870976.db2.gz AJBBSVGAFIPHGQ-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CCC[NH2+]1 ZINC000647816987 385870993 /nfs/dbraw/zinc/87/09/93/385870993.db2.gz VGGMOHRXLOQWTE-NQBHXWOUSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000647818225 385871066 /nfs/dbraw/zinc/87/10/66/385871066.db2.gz FDCQQZARHGNFQI-JCIQBVFBSA-N 2 0 237.347 0.038 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H]1C[NH3+] ZINC000647822251 385872011 /nfs/dbraw/zinc/87/20/11/385872011.db2.gz ICYDJIOGGXLLGD-CHWFTXMASA-N 2 0 225.336 0.310 20 0 BCADRP C[C@@H]1CN(CC[N@@H+]2CCC[C@H](C[NH3+])C2)CCO1 ZINC000647827160 385874960 /nfs/dbraw/zinc/87/49/60/385874960.db2.gz NAAKKIVAWXAJTH-CHWSQXEVSA-N 2 0 241.379 0.378 20 0 BCADRP C[C@@H]1CN(CC[N@@H+]2CCC[C@@H](C[NH3+])C2)CCO1 ZINC000647827161 385875165 /nfs/dbraw/zinc/87/51/65/385875165.db2.gz NAAKKIVAWXAJTH-OLZOCXBDSA-N 2 0 241.379 0.378 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc(C[NH3+])o1 ZINC000647827752 385876824 /nfs/dbraw/zinc/87/68/24/385876824.db2.gz XVMFDNXTHAWEBO-GFCCVEGCSA-N 2 0 239.319 0.842 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647829409 385878662 /nfs/dbraw/zinc/87/86/62/385878662.db2.gz AJMPKKUYOUZQAP-GCHJQGSQSA-N 2 0 237.347 0.086 20 0 BCADRP C[C@]1(CNC(=O)c2c[nH+]ccc2N)CCC[NH2+]C1 ZINC000294671185 385879804 /nfs/dbraw/zinc/87/98/04/385879804.db2.gz AOMJBOXRDMZMAM-ZDUSSCGKSA-N 2 0 248.330 0.783 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000647836740 385880010 /nfs/dbraw/zinc/88/00/10/385880010.db2.gz OREPBVOCMINYTF-CHWSQXEVSA-N 2 0 225.380 0.917 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000647836742 385880969 /nfs/dbraw/zinc/88/09/69/385880969.db2.gz OREPBVOCMINYTF-QWHCGFSZSA-N 2 0 225.380 0.917 20 0 BCADRP CC1CC[NH+](CC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000335019758 385978572 /nfs/dbraw/zinc/97/85/72/385978572.db2.gz SNSXRYJDCHQDMU-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP CCCNC(=O)[C@H](C)N1CCC(C)([NH3+])CC1 ZINC000647926884 385985903 /nfs/dbraw/zinc/98/59/03/385985903.db2.gz QAOAECJOQWHBCR-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CC[NH+](CC)CCC[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000338363937 385987380 /nfs/dbraw/zinc/98/73/80/385987380.db2.gz SDKMXQFEHFVAQI-ZDUSSCGKSA-N 2 0 241.379 0.916 20 0 BCADRP C[C@](C[NH3+])([NH2+]CCOC[C@@H]1CCCO1)C1CC1 ZINC000647867942 385987895 /nfs/dbraw/zinc/98/78/95/385987895.db2.gz WNLVBEULPARIIM-QWHCGFSZSA-N 2 0 242.363 0.899 20 0 BCADRP COCC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000647983535 385990966 /nfs/dbraw/zinc/99/09/66/385990966.db2.gz FSRLRZCMQRYLBB-NEPJUHHUSA-N 2 0 228.336 0.461 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21)[NH+](C)C ZINC000639020084 385932243 /nfs/dbraw/zinc/93/22/43/385932243.db2.gz JPORKPRXZKXTNY-QJPTWQEYSA-N 2 0 239.363 0.537 20 0 BCADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639020461 385932418 /nfs/dbraw/zinc/93/24/18/385932418.db2.gz FSSYLBDGDCANNS-BNDIWNMDSA-N 2 0 249.358 0.052 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21)[NH+](C)C ZINC000639020087 385932549 /nfs/dbraw/zinc/93/25/49/385932549.db2.gz JPORKPRXZKXTNY-TUAOUCFPSA-N 2 0 239.363 0.537 20 0 BCADRP CC[N@@H+]1CC[C@H](NC[C@H](C)C[NH3+])[C@H](C)C1 ZINC000414878215 385933121 /nfs/dbraw/zinc/93/31/21/385933121.db2.gz ODKMGGWAQPZCMN-UTUOFQBUSA-N 2 0 213.369 0.901 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639019880 385933581 /nfs/dbraw/zinc/93/35/81/385933581.db2.gz CAWVOMIFBFMGIP-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP CC[N@@H+]1CC[C@H](NC[C@@H](C)C[NH3+])[C@H](C)C1 ZINC000414878213 385933816 /nfs/dbraw/zinc/93/38/16/385933816.db2.gz ODKMGGWAQPZCMN-TUAOUCFPSA-N 2 0 213.369 0.901 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000335041118 385933840 /nfs/dbraw/zinc/93/38/40/385933840.db2.gz ACHRVHYFPUKRMH-RKDXNWHRSA-N 2 0 232.287 0.800 20 0 BCADRP C[C@@H](CO)[NH+](C)CCC[N@@H+](C)[C@@H](C)CO ZINC000342086872 385936555 /nfs/dbraw/zinc/93/65/55/385936555.db2.gz HVQCIFWIVHERCR-QWRGUYRKSA-N 2 0 218.341 0.002 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCCC[NH2+]C ZINC000417445525 385938058 /nfs/dbraw/zinc/93/80/58/385938058.db2.gz HJDNRBAWZJKOHH-LLVKDONJSA-N 2 0 244.383 0.625 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000236921499 259679051 /nfs/dbraw/zinc/67/90/51/259679051.db2.gz XRBOAJYJXUNWQZ-ZYHUDNBSSA-N 2 0 227.352 0.620 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)CC[NH3+] ZINC000417448775 385952717 /nfs/dbraw/zinc/95/27/17/385952717.db2.gz WIVHTUPQAMZBAY-QWRGUYRKSA-N 2 0 244.383 0.753 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)CC[NH3+] ZINC000417446117 385954645 /nfs/dbraw/zinc/95/46/45/385954645.db2.gz JRBZRUYNYCGKJZ-SNVBAGLBSA-N 2 0 230.356 0.317 20 0 BCADRP [NH3+][C@@H](C(=O)N1CC[NH+]2CCC1CC2)C1CCC1 ZINC000335054349 385954841 /nfs/dbraw/zinc/95/48/41/385954841.db2.gz WTHBZGMYWXHZDW-GFCCVEGCSA-N 2 0 237.347 0.420 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](C)C[NH2+]C ZINC000638568209 385956560 /nfs/dbraw/zinc/95/65/60/385956560.db2.gz XCYYPPFLWORRQG-LPEHRKFASA-N 2 0 213.325 0.099 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](C)C[NH2+]C ZINC000638568208 385958079 /nfs/dbraw/zinc/95/80/79/385958079.db2.gz XCYYPPFLWORRQG-KXUCPTDWSA-N 2 0 213.325 0.099 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000638568172 385958418 /nfs/dbraw/zinc/95/84/18/385958418.db2.gz WANKLKDOIFGEDP-WDEREUQCSA-N 2 0 225.336 0.243 20 0 BCADRP COc1ccc2c(c1)[C@H]([NH3+])CCN2C(=O)[C@@H](C)[NH3+] ZINC000365220606 385961154 /nfs/dbraw/zinc/96/11/54/385961154.db2.gz HYUXTKXRFCLTLV-LDYMZIIASA-N 2 0 249.314 0.779 20 0 BCADRP CC[NH+](CC)CCCN[C@@H]1C(=O)NCC[C@H]1C ZINC000338361065 385969694 /nfs/dbraw/zinc/96/96/94/385969694.db2.gz LNZUNADECHUEJH-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCC[N@H+](C)[C@H](C)CC ZINC000417449376 385973249 /nfs/dbraw/zinc/97/32/49/385973249.db2.gz XTLQNPATOMPZLK-GHMZBOCLSA-N 2 0 244.383 0.753 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000338431641 386000165 /nfs/dbraw/zinc/00/01/65/386000165.db2.gz RZWFQYRUXMKSNY-NSHDSACASA-N 2 0 227.352 0.537 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[NH2+]C(C)C ZINC000638575044 386003053 /nfs/dbraw/zinc/00/30/53/386003053.db2.gz BJHDLUPFIWCDJQ-VHSXEESVSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@H]1C[NH2+]CCN1C ZINC000414976086 386015543 /nfs/dbraw/zinc/01/55/43/386015543.db2.gz NJNYYCCDTHKHHK-UPJWGTAASA-N 3 0 240.395 0.010 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000295334315 386015781 /nfs/dbraw/zinc/01/57/81/386015781.db2.gz ZTSCDYQIQZWYBZ-QWHCGFSZSA-N 2 0 249.358 0.656 20 0 BCADRP [NH3+][C@H]1Cc2ccccc2N(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000335061290 386025931 /nfs/dbraw/zinc/02/59/31/386025931.db2.gz MEOXOGVLPCEQBT-NEPJUHHUSA-N 2 0 245.326 0.513 20 0 BCADRP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH2+]C1)C(C)C ZINC000417465230 386032195 /nfs/dbraw/zinc/03/21/95/386032195.db2.gz RVGBCOAWWNKWBS-LLVKDONJSA-N 2 0 242.367 0.378 20 0 BCADRP CN(C)c1nccc(N2CC[C@@H](C[NH+](C)C)C2)n1 ZINC000338689599 386103249 /nfs/dbraw/zinc/10/32/49/386103249.db2.gz PDEOOENWOISNQV-NSHDSACASA-N 2 0 249.362 0.931 20 0 BCADRP CN(C[C@H](O)C[N@H+](C)C[C@@H]1CCOC1)C1CC1 ZINC000336729343 386104967 /nfs/dbraw/zinc/10/49/67/386104967.db2.gz XGJJXZXFRYMNDD-WCQYABFASA-N 2 0 242.363 0.410 20 0 BCADRP COC[C@H](CC(C)C)[NH2+]CCN1CC[NH2+]CC1 ZINC000414889097 386106441 /nfs/dbraw/zinc/10/64/41/386106441.db2.gz SPXWVGOQRHUTLI-ZDUSSCGKSA-N 2 0 243.395 0.542 20 0 BCADRP CC[N@H+](C)CCNC(=O)CC1CC[NH2+]CC1 ZINC000054133283 386109355 /nfs/dbraw/zinc/10/93/55/386109355.db2.gz VGLXGFZMEPUNLX-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000054133400 386110088 /nfs/dbraw/zinc/11/00/88/386110088.db2.gz UONFLPAJNFMHRA-MNOVXSKESA-N 2 0 229.368 0.816 20 0 BCADRP CC[N@H+](CCO)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414663557 386112640 /nfs/dbraw/zinc/11/26/40/386112640.db2.gz BIIJGZHGCVPHLE-MNOVXSKESA-N 2 0 200.326 0.689 20 0 BCADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CN(C)C[C@H]1C ZINC000345833914 386120547 /nfs/dbraw/zinc/12/05/47/386120547.db2.gz BHBNKNUMALVGDF-WYUUTHIRSA-N 2 0 239.363 0.441 20 0 BCADRP CC[N@H+](CCNC(=O)NCCC[NH3+])C(C)C ZINC000417469295 386058777 /nfs/dbraw/zinc/05/87/77/386058777.db2.gz ZETASXIYIIONGY-UHFFFAOYSA-N 2 0 230.356 0.365 20 0 BCADRP C[NH2+][C@@H]1CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414649190 386059279 /nfs/dbraw/zinc/05/92/79/386059279.db2.gz CBKXUSIWLUIGHG-QJPTWQEYSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000054341255 386121918 /nfs/dbraw/zinc/12/19/18/386121918.db2.gz XDFLYTPRJATLSD-GHMZBOCLSA-N 2 0 225.336 0.278 20 0 BCADRP C[C@H]1CC2(CN1C(=O)[C@H]1CC[NH2+]1)CC[NH2+]CC2 ZINC000335073502 386065626 /nfs/dbraw/zinc/06/56/26/386065626.db2.gz ODVNFVPASGGNJH-WDEREUQCSA-N 2 0 237.347 0.339 20 0 BCADRP CC[C@H]([NH3+])C[NH2+]CCC(C)(C)C(=O)OC ZINC000414981439 386066209 /nfs/dbraw/zinc/06/62/09/386066209.db2.gz BUEIDSOKQQIMLA-VIFPVBQESA-N 2 0 216.325 0.903 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000334440382 386068269 /nfs/dbraw/zinc/06/82/69/386068269.db2.gz WRONTSSIYITCPX-NWDGAFQWSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000237150807 259681695 /nfs/dbraw/zinc/68/16/95/259681695.db2.gz QCIIFGGHPCJRPU-CMPLNLGQSA-N 2 0 235.331 0.658 20 0 BCADRP C[NH+](C)CC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365411412 386083582 /nfs/dbraw/zinc/08/35/82/386083582.db2.gz RSLLZPGODFTQEP-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000274384000 386096814 /nfs/dbraw/zinc/09/68/14/386096814.db2.gz BPVLKXGYMUAAKM-NEPJUHHUSA-N 2 0 249.358 0.970 20 0 BCADRP [NH3+]CC1(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000414662525 386099085 /nfs/dbraw/zinc/09/90/85/386099085.db2.gz AGBICAHENZGLII-TUAOUCFPSA-N 2 0 223.364 0.785 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCN1 ZINC000414663483 386099557 /nfs/dbraw/zinc/09/95/57/386099557.db2.gz SEYJFWKIFNNAFW-IJLUTSLNSA-N 2 0 211.353 0.668 20 0 BCADRP C[NH2+]C[C@H]1CCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000414672910 386144782 /nfs/dbraw/zinc/14/47/82/386144782.db2.gz OHKSNQGBVCZGCL-NEPJUHHUSA-N 2 0 213.369 0.901 20 0 BCADRP C[C@@H]1C[C@H](C[N@H+](C)CC(=O)NC2CC2)CC[NH2+]1 ZINC000414674205 386145725 /nfs/dbraw/zinc/14/57/25/386145725.db2.gz DHYQIGNQUGHCKR-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP COC[C@@H]([NH3+])C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000354074831 386146874 /nfs/dbraw/zinc/14/68/74/386146874.db2.gz XHTJABSGKUTFRO-NXEZZACHSA-N 2 0 245.367 0.053 20 0 BCADRP CC(=O)N1CCCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000414673481 386147058 /nfs/dbraw/zinc/14/70/58/386147058.db2.gz CILZZBIPRMOWJG-CYBMUJFWSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]1 ZINC000414676158 386149912 /nfs/dbraw/zinc/14/99/12/386149912.db2.gz UUTFSVVLAXZXLZ-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCN1CC[NH2+]CC1 ZINC000414892224 386150827 /nfs/dbraw/zinc/15/08/27/386150827.db2.gz XNOSWGLRIXBXBD-CHWSQXEVSA-N 3 0 240.395 0.012 20 0 BCADRP CC[NH2+]CCNC(=O)NCC[N@H+](CC)C1CC1 ZINC000417488729 386155509 /nfs/dbraw/zinc/15/55/09/386155509.db2.gz OZRBCBSLNFAPGX-UHFFFAOYSA-N 2 0 242.367 0.379 20 0 BCADRP CC[N@H+](CC(=O)NC[C@@H](C)[NH+](C)C)C1CC1 ZINC000343177144 386156504 /nfs/dbraw/zinc/15/65/04/386156504.db2.gz HZGJHCJARJQYRU-SNVBAGLBSA-N 2 0 227.352 0.537 20 0 BCADRP CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414681392 386163266 /nfs/dbraw/zinc/16/32/66/386163266.db2.gz VYNXLNRPGXQXIS-LBPRGKRZSA-N 2 0 241.379 0.772 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000237289865 259682422 /nfs/dbraw/zinc/68/24/22/259682422.db2.gz AFEBWDUHMUDGAK-VWYCJHECSA-N 2 0 227.352 0.428 20 0 BCADRP CC[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)[NH+](C)C ZINC000346134267 386164258 /nfs/dbraw/zinc/16/42/58/386164258.db2.gz BZYRBRXOTBXKEW-UWVGGRQHSA-N 2 0 215.341 0.393 20 0 BCADRP C[C@@H]1C[C@H](CN[C@@H]2C[NH2+]CCC2(F)F)CC[NH2+]1 ZINC000414993526 386166273 /nfs/dbraw/zinc/16/62/73/386166273.db2.gz CMRWTSRLUDEDPQ-GMTAPVOTSA-N 2 0 247.333 0.961 20 0 BCADRP C[C@@H]1C[C@@H](CN[C@@H]2C[NH2+]CCC2(F)F)CC[NH2+]1 ZINC000414993530 386167049 /nfs/dbraw/zinc/16/70/49/386167049.db2.gz CMRWTSRLUDEDPQ-OUAUKWLOSA-N 2 0 247.333 0.961 20 0 BCADRP C[C@@H]1C[C@H](C[N@H+](C)CC(=O)N(C)C)CC[NH2+]1 ZINC000414681947 386167837 /nfs/dbraw/zinc/16/78/37/386167837.db2.gz QELOQRSUYHVZFS-GHMZBOCLSA-N 2 0 227.352 0.395 20 0 BCADRP Cc1nccn1CC[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000164632031 386168674 /nfs/dbraw/zinc/16/86/74/386168674.db2.gz GZYFVPINCCNVSB-ZYHUDNBSSA-N 2 0 223.320 0.894 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H](C)C[NH+](C)C ZINC000346187621 386182767 /nfs/dbraw/zinc/18/27/67/386182767.db2.gz FHHYKDREZGACTB-SNVBAGLBSA-N 2 0 215.341 0.395 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCNC(=O)[C@H]2C)CC[NH2+]1 ZINC000414691128 386184275 /nfs/dbraw/zinc/18/42/75/386184275.db2.gz JASGFVALVCYLFH-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCNC(=O)[C@@H]2C)CC[NH2+]1 ZINC000414691133 386184691 /nfs/dbraw/zinc/18/46/91/386184691.db2.gz JASGFVALVCYLFH-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP O=C([C@@H]1CCC[NH2+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335332404 386184732 /nfs/dbraw/zinc/18/47/32/386184732.db2.gz MQUYIFNRPKMUSV-AAEUAGOBSA-N 2 0 237.347 0.341 20 0 BCADRP C[C@@H]1C[C@H](C[N@H+](CCO)C2CC2)CC[NH2+]1 ZINC000414674602 386141660 /nfs/dbraw/zinc/14/16/60/386141660.db2.gz KTMATUWTDPWKNR-GHMZBOCLSA-N 2 0 212.337 0.831 20 0 BCADRP CC(C)CNC(=O)[C@H](C)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163258826 386142493 /nfs/dbraw/zinc/14/24/93/386142493.db2.gz MDNSLVJPPBPXBT-WOPDTQHZSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H]1C[C@H](C[N@H+](CCO)C2CC2)CC[NH2+]1 ZINC000414674606 386142496 /nfs/dbraw/zinc/14/24/96/386142496.db2.gz KTMATUWTDPWKNR-WDEREUQCSA-N 2 0 212.337 0.831 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000647875031 386143567 /nfs/dbraw/zinc/14/35/67/386143567.db2.gz SETMENFCUBHLAI-AEJSXWLSSA-N 2 0 213.325 0.357 20 0 BCADRP COCC[N@H+](CCO)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414699317 386201649 /nfs/dbraw/zinc/20/16/49/386201649.db2.gz SXEYOOPEIPSINP-NWDGAFQWSA-N 2 0 230.352 0.315 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000647880911 386202054 /nfs/dbraw/zinc/20/20/54/386202054.db2.gz BAEXCIHEGHKDFK-NSHDSACASA-N 2 0 238.335 0.564 20 0 BCADRP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414698899 386202367 /nfs/dbraw/zinc/20/23/67/386202367.db2.gz IKRLFIWETGZQSQ-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](CO)OC[C@H]2C)CC[NH2+]1 ZINC000414702526 386211409 /nfs/dbraw/zinc/21/14/09/386211409.db2.gz HWOIFBPMCMMHRT-LPWJVIDDSA-N 2 0 242.363 0.456 20 0 BCADRP CC(C)[C@H](C(=O)NC1CCC([NH3+])CC1)[NH+](C)C ZINC000131745695 386214053 /nfs/dbraw/zinc/21/40/53/386214053.db2.gz UBWRVBVHRPGGKH-HTAVTVPLSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000131744565 386214966 /nfs/dbraw/zinc/21/49/66/386214966.db2.gz YEHVNTFGBDBODS-ZYHUDNBSSA-N 2 0 247.342 0.955 20 0 BCADRP CNC(=O)[C@H](C)C[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414704802 386215123 /nfs/dbraw/zinc/21/51/23/386215123.db2.gz JRBPLZIMFMMOGX-UTUOFQBUSA-N 2 0 241.379 0.688 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000132010766 386218548 /nfs/dbraw/zinc/21/85/48/386218548.db2.gz CTBUTXJKNLMJBN-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP COC(=O)CC[N@H+](CCC[NH3+])CC(C)C ZINC000414709015 386222200 /nfs/dbraw/zinc/22/22/00/386222200.db2.gz QUDLJOVIQSDYSS-UHFFFAOYSA-N 2 0 216.325 0.856 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000414708543 386225586 /nfs/dbraw/zinc/22/55/86/386225586.db2.gz QPOQNWAZYXGYHF-LBPRGKRZSA-N 2 0 239.363 0.573 20 0 BCADRP CC[C@]1(C(=O)NC[C@@H]2CC[N@H+](C)C2)CCC[NH2+]1 ZINC000215331819 386229833 /nfs/dbraw/zinc/22/98/33/386229833.db2.gz YPUJTFHQTRMJIL-WCQYABFASA-N 2 0 239.363 0.587 20 0 BCADRP NC(=O)CC[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647882722 386237808 /nfs/dbraw/zinc/23/78/08/386237808.db2.gz VNBPFCWZYDOAEH-VXGBXAGGSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@H](C(=O)N1C[C@@H]([NH3+])Cc2ccccc21)[NH+](C)C ZINC000638350040 386242356 /nfs/dbraw/zinc/24/23/56/386242356.db2.gz AOMFORJLYMQGCR-PWSUYJOCSA-N 2 0 247.342 0.853 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000638358032 386254269 /nfs/dbraw/zinc/25/42/69/386254269.db2.gz XVKQOAHKOUMNLS-QCNOEVLYSA-N 2 0 241.379 0.816 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000132913967 386257791 /nfs/dbraw/zinc/25/77/91/386257791.db2.gz LNFAMSRJEFTHPY-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)[C@@H]1C[NH3+] ZINC000237516794 259683851 /nfs/dbraw/zinc/68/38/51/259683851.db2.gz IDRIARYGFTWIQV-OUAUKWLOSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)([NH3+])CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335355572 386200256 /nfs/dbraw/zinc/20/02/56/386200256.db2.gz BNCDEHYHYFXJGI-UHFFFAOYSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]1C[C@H](C[N@@H+]2CCC[C@@H](N)C2)CC[NH2+]1 ZINC000414732112 386288534 /nfs/dbraw/zinc/28/85/34/386288534.db2.gz FWGVDFJMGSWUFY-QJPTWQEYSA-N 2 0 211.353 0.798 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000414732873 386288941 /nfs/dbraw/zinc/28/89/41/386288941.db2.gz ISUWBQMCGOGMTE-GRYCIOLGSA-N 2 0 211.353 0.511 20 0 BCADRP CC1(C)C[N@H+](CCOCC[NH3+])C(C)(C)CO1 ZINC000647885909 386292236 /nfs/dbraw/zinc/29/22/36/386292236.db2.gz KGHMBHQYNVLJRK-UHFFFAOYSA-N 2 0 230.352 0.851 20 0 BCADRP CC[C@H](O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000339203613 386296217 /nfs/dbraw/zinc/29/62/17/386296217.db2.gz JJYCGOXYHHUDIH-ZDUSSCGKSA-N 2 0 245.411 0.573 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000091392360 386296307 /nfs/dbraw/zinc/29/63/07/386296307.db2.gz MGFDRUGHJMCCMQ-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H](O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000339205137 386300518 /nfs/dbraw/zinc/30/05/18/386300518.db2.gz NFEBMCAOKXRWEL-GFCCVEGCSA-N 2 0 231.384 0.183 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+][C@H]2C(=O)NCC[C@@H]2C)CC[NH2+]1 ZINC000414736425 386303062 /nfs/dbraw/zinc/30/30/62/386303062.db2.gz HTSLFFVAIDQSHP-IRCOFANPSA-N 2 0 239.363 0.489 20 0 BCADRP [NH3+]C1(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000088130604 386304978 /nfs/dbraw/zinc/30/49/78/386304978.db2.gz GBZPVLPPORYVOQ-NSHDSACASA-N 2 0 237.347 0.565 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000236756919 386309550 /nfs/dbraw/zinc/30/95/50/386309550.db2.gz UEOJCVZVTPDXAC-MNOVXSKESA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H](O)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000336670411 386314739 /nfs/dbraw/zinc/31/47/39/386314739.db2.gz GQCHMTOWOYCCJO-GHMZBOCLSA-N 2 0 200.326 0.641 20 0 BCADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC000336652093 386267201 /nfs/dbraw/zinc/26/72/01/386267201.db2.gz WJIQEXLHWPHMFP-VXGBXAGGSA-N 2 0 212.337 0.906 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000132961867 386272761 /nfs/dbraw/zinc/27/27/61/386272761.db2.gz HJLYAEKZRODKGJ-NEPJUHHUSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@H](O)C[N@H+](CCO)CC[C@H]1CCC[NH+]1C ZINC000336656819 386274114 /nfs/dbraw/zinc/27/41/14/386274114.db2.gz LRFJWBBAKVPQSA-NWDGAFQWSA-N 2 0 230.352 0.146 20 0 BCADRP COC[C@H]1CCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000339290048 386340885 /nfs/dbraw/zinc/34/08/85/386340885.db2.gz HSVKYEVIHCUWRB-NEPJUHHUSA-N 2 0 228.336 0.162 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])co1 ZINC000335277258 386341030 /nfs/dbraw/zinc/34/10/30/386341030.db2.gz LHXHIOWCBXXHFM-GHMZBOCLSA-N 2 0 237.303 0.738 20 0 BCADRP C[C@H](CNC(=O)NC(C)(C)C[NH3+])[N@H+](C)C1CC1 ZINC000417549304 386341447 /nfs/dbraw/zinc/34/14/47/386341447.db2.gz JNQRKRQKLMDBAL-SECBINFHSA-N 2 0 242.367 0.506 20 0 BCADRP C([C@H]1CC[NH2+]C1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000647970045 386344328 /nfs/dbraw/zinc/34/43/28/386344328.db2.gz ZFKXSIJTYOOYBC-GXTWGEPZSA-N 3 0 237.391 0.917 20 0 BCADRP C([C@@H]1CC[NH2+]C1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000647970048 386346251 /nfs/dbraw/zinc/34/62/51/386346251.db2.gz ZFKXSIJTYOOYBC-TZMCWYRMSA-N 3 0 237.391 0.917 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CCOC[C@H]1C1CC1 ZINC000647989168 386346882 /nfs/dbraw/zinc/34/68/82/386346882.db2.gz SPANULKKJRBMBW-JQWIXIFHSA-N 2 0 210.321 0.707 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000417547076 386347998 /nfs/dbraw/zinc/34/79/98/386347998.db2.gz GNWRBISWPXJGPU-NXEZZACHSA-N 2 0 242.367 0.363 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CCOC[C@@H]1C1CC1 ZINC000647989170 386348780 /nfs/dbraw/zinc/34/87/80/386348780.db2.gz SPANULKKJRBMBW-ZYHUDNBSSA-N 2 0 210.321 0.707 20 0 BCADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC[NH3+])C1 ZINC000414748495 386350920 /nfs/dbraw/zinc/35/09/20/386350920.db2.gz URCHUXKULFNJKK-CYBMUJFWSA-N 3 0 243.395 0.768 20 0 BCADRP C[C@H](C[NH3+])NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000417552219 386355999 /nfs/dbraw/zinc/35/59/99/386355999.db2.gz QCOKGDODENEEMZ-BDAKNGLRSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@@H](CNC(=O)NCCCC[NH3+])[N@H+](C)C1CC1 ZINC000417552075 386356099 /nfs/dbraw/zinc/35/60/99/386356099.db2.gz PWQMOENIFUQVKW-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000417552638 386358734 /nfs/dbraw/zinc/35/87/34/386358734.db2.gz RPPLYROXRBRKPY-UWVGGRQHSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000417554555 386362392 /nfs/dbraw/zinc/36/23/92/386362392.db2.gz WITVKXQTRBXAGT-GUBZILKMSA-N 2 0 242.367 0.504 20 0 BCADRP c1cnn(CC[N@@H+]2CCc3nc[nH]c3C2)c1 ZINC000647933386 386362549 /nfs/dbraw/zinc/36/25/49/386362549.db2.gz MQTWXQPDJKMNSN-UHFFFAOYSA-N 2 0 217.276 0.665 20 0 BCADRP OCCCOC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647889966 386362640 /nfs/dbraw/zinc/36/26/40/386362640.db2.gz CASCRKBJJSAOBE-LBPRGKRZSA-N 2 0 242.363 0.459 20 0 BCADRP C[N@H+](CCCOc1ccccc1)C[C@H](O)C[NH3+] ZINC000336732034 386369554 /nfs/dbraw/zinc/36/95/54/386369554.db2.gz ZEJHSAMTJMEBAZ-GFCCVEGCSA-N 2 0 238.331 0.707 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000347375110 386371553 /nfs/dbraw/zinc/37/15/53/386371553.db2.gz SPEAVMQJCKTBCH-IJLUTSLNSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000347375115 386371790 /nfs/dbraw/zinc/37/17/90/386371790.db2.gz SPEAVMQJCKTBCH-UTUOFQBUSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000237407874 386375974 /nfs/dbraw/zinc/37/59/74/386375974.db2.gz PAQSTMAEAPRDOP-QMMMGPOBSA-N 2 0 222.292 0.429 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000237444399 386380057 /nfs/dbraw/zinc/38/00/57/386380057.db2.gz HQABWJLNUDJCNO-LLVKDONJSA-N 2 0 235.331 0.928 20 0 BCADRP C(C[N@@H+]1CC[C@@]2(CCOC2)C1)N1CC[NH2+]CC1 ZINC000647890766 386381695 /nfs/dbraw/zinc/38/16/95/386381695.db2.gz OWULAXWFULPPJS-CYBMUJFWSA-N 2 0 239.363 0.004 20 0 BCADRP CC[NH+](CC)CCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000416785377 386381794 /nfs/dbraw/zinc/38/17/94/386381794.db2.gz AZPDGDMZMQANTD-VHSXEESVSA-N 2 0 230.356 0.363 20 0 BCADRP CO[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@@H]1OC ZINC000414752491 386383831 /nfs/dbraw/zinc/38/38/31/386383831.db2.gz CCDAAYUFQMJVBN-XQHKEYJVSA-N 2 0 242.363 0.720 20 0 BCADRP CC[NH+](CC)CCNC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000416789992 386383968 /nfs/dbraw/zinc/38/39/68/386383968.db2.gz LRHPXTTUVFTCDG-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCNC1=O ZINC000414767274 386439830 /nfs/dbraw/zinc/43/98/30/386439830.db2.gz SIAHNQMEDGSPOE-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000417607986 386440955 /nfs/dbraw/zinc/44/09/55/386440955.db2.gz HXVSJRKXPWPTKG-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)NCC1C[NH2+]C1 ZINC000417616376 386443418 /nfs/dbraw/zinc/44/34/18/386443418.db2.gz YUNKAHQUGMMWAU-UHFFFAOYSA-N 2 0 242.367 0.237 20 0 BCADRP [NH3+]CCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000414767882 386443723 /nfs/dbraw/zinc/44/37/23/386443723.db2.gz JNYDVADGRGQFEC-LBPRGKRZSA-N 3 0 211.353 0.657 20 0 BCADRP CC[NH+](CC)CCCNC(=O)NC[C@@H](C)C[NH3+] ZINC000416796736 386388301 /nfs/dbraw/zinc/38/83/01/386388301.db2.gz BIVDKOAPAHLQJQ-NSHDSACASA-N 2 0 244.383 0.612 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NCC[NH+](CC)CC ZINC000416803768 386394305 /nfs/dbraw/zinc/39/43/05/386394305.db2.gz VZPFGTFXGNDPJT-LLVKDONJSA-N 2 0 244.383 0.625 20 0 BCADRP C[NH+](C)C1(CNC(=O)NCCC[NH3+])CCCC1 ZINC000416810823 386399559 /nfs/dbraw/zinc/39/95/59/386399559.db2.gz BZSHSBDCDAOIOI-UHFFFAOYSA-N 2 0 242.367 0.509 20 0 BCADRP [NH3+]CCOCCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000093232479 386406469 /nfs/dbraw/zinc/40/64/69/386406469.db2.gz UNNKBHVETOCDHS-CYBMUJFWSA-N 2 0 241.379 0.522 20 0 BCADRP C[C@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1[NH3+] ZINC000414760228 386413577 /nfs/dbraw/zinc/41/35/77/386413577.db2.gz GUUMQBUJJWONIS-IRCOFANPSA-N 3 0 211.353 0.654 20 0 BCADRP C[C@H]([NH3+])CN1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000442665600 386415378 /nfs/dbraw/zinc/41/53/78/386415378.db2.gz NEPYRVYGHWWYAT-NWDGAFQWSA-N 2 0 241.379 0.519 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC[NH2+]C ZINC000417591626 386416215 /nfs/dbraw/zinc/41/62/15/386416215.db2.gz XHIDJLFYXXKCQX-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCN(C)CC1(C)C ZINC000347496134 386422188 /nfs/dbraw/zinc/42/21/88/386422188.db2.gz YETWRKAPMCKYCP-UHFFFAOYSA-N 2 0 241.379 0.881 20 0 BCADRP Cn1cc(CC[N@@H+]2CC[C@H](C[NH+](C)C)C2)cn1 ZINC000336709847 386422431 /nfs/dbraw/zinc/42/24/31/386422431.db2.gz QCJXTTBRHCRRNW-CYBMUJFWSA-N 2 0 236.363 0.846 20 0 BCADRP C[N@H+](CCNC(=O)CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000134560333 386425016 /nfs/dbraw/zinc/42/50/16/386425016.db2.gz PKPKESIPNNGPKS-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CCC[NH2+]1 ZINC000134368841 386427825 /nfs/dbraw/zinc/42/78/25/386427825.db2.gz RERLLMNPELNYRC-NTZNESFSSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+]CCNC(=O)NCC[NH+]1CCC(C)CC1 ZINC000417007757 386435649 /nfs/dbraw/zinc/43/56/49/386435649.db2.gz HTEMTUAPKPHXCB-UHFFFAOYSA-N 2 0 242.367 0.237 20 0 BCADRP C[C@H](O)CC[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000336712108 386436237 /nfs/dbraw/zinc/43/62/37/386436237.db2.gz NSVIFZLPMBMBMN-NSHDSACASA-N 2 0 238.335 0.298 20 0 BCADRP CC1(C(=O)NCC[NH+]2CCCCC2)C[NH2+]C1 ZINC000399179641 386436332 /nfs/dbraw/zinc/43/63/32/386436332.db2.gz RIDIWLAIFGVGQZ-UHFFFAOYSA-N 2 0 225.336 0.198 20 0 BCADRP CCN1C[C@H]([NH2+][C@H]2CCN(C)[C@@H](C)C2)CC1=O ZINC000391591575 386469390 /nfs/dbraw/zinc/46/93/90/386469390.db2.gz FLRRSVHXQFANSW-SDDRHHMPSA-N 2 0 239.363 0.680 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414774747 386472673 /nfs/dbraw/zinc/47/26/73/386472673.db2.gz FWJXRFOGCQDXQF-VXGBXAGGSA-N 3 0 211.353 0.657 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(C)C[NH3+] ZINC000417287574 386476412 /nfs/dbraw/zinc/47/64/12/386476412.db2.gz PAQODDKOGYATHE-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP CCC[NH2+]CCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000417287363 386476449 /nfs/dbraw/zinc/47/64/49/386476449.db2.gz OOYSYEDEZJLXTM-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCC1 ZINC000335425499 386476856 /nfs/dbraw/zinc/47/68/56/386476856.db2.gz XSBXOKFOEAOEEJ-ZJUUUORDSA-N 2 0 223.320 0.078 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000519538931 386477379 /nfs/dbraw/zinc/47/73/79/386477379.db2.gz HMHGHCCCWRNXBJ-JFGNBEQYSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)([NH3+])CNCCC[NH2+]Cc1cccnc1 ZINC000519536349 386481150 /nfs/dbraw/zinc/48/11/50/386481150.db2.gz ICEGUWPPNBHSMJ-UHFFFAOYSA-N 2 0 236.363 0.888 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000519544371 386481474 /nfs/dbraw/zinc/48/14/74/386481474.db2.gz JGTKUIBSOAVGNM-CYBMUJFWSA-N 2 0 243.395 0.230 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N(C)C1CC([NH3+])C1 ZINC000417315599 386482224 /nfs/dbraw/zinc/48/22/24/386482224.db2.gz CQTPISULBBQSAK-KPPDAEKUSA-N 2 0 242.367 0.458 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)NC(C)(C)C[NH3+] ZINC000417316399 386483673 /nfs/dbraw/zinc/48/36/73/386483673.db2.gz FCQRDKDNQTWCFA-VIFPVBQESA-N 2 0 230.356 0.363 20 0 BCADRP C[C@@H](CNC(=O)C1(C)C[NH2+]C1)C[NH+]1CCCC1 ZINC000399287768 386484509 /nfs/dbraw/zinc/48/45/09/386484509.db2.gz QICJOPCAKGYKEH-NSHDSACASA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)c1c[nH+]ccc1N ZINC000187178455 386486735 /nfs/dbraw/zinc/48/67/35/386486735.db2.gz SIXBYBUIWKZFIU-MRVPVSSYSA-N 2 0 222.292 0.249 20 0 BCADRP C[C@@H](CNC(=O)[C@H](C)[NH3+])C[NH+]1CCCC1 ZINC000059930755 386486874 /nfs/dbraw/zinc/48/68/74/386486874.db2.gz INXOYHCKSCBKOU-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H](CNC(=O)[C@H](C)[NH3+])C[NH+]1CCCC1 ZINC000059930759 386486941 /nfs/dbraw/zinc/48/69/41/386486941.db2.gz INXOYHCKSCBKOU-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000335431774 386487935 /nfs/dbraw/zinc/48/79/35/386487935.db2.gz YOOCZKZIYBIYAE-QWHCGFSZSA-N 2 0 247.342 0.808 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183377306 386493380 /nfs/dbraw/zinc/49/33/80/386493380.db2.gz BHOKXCBSAUAUJT-MNOVXSKESA-N 2 0 241.379 0.866 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000417321117 386495432 /nfs/dbraw/zinc/49/54/32/386495432.db2.gz RXCBJFBGZYPNRV-JTQLQIEISA-N 2 0 230.356 0.235 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000417320443 386495791 /nfs/dbraw/zinc/49/57/91/386495791.db2.gz QBXXNKLIWFFKBO-MNOVXSKESA-N 2 0 242.367 0.378 20 0 BCADRP C[C@H]1C[C@H](CN2CC[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]1 ZINC000414780513 386497830 /nfs/dbraw/zinc/49/78/30/386497830.db2.gz BMFWWIWAWCXROC-LOWDOPEQSA-N 2 0 223.364 0.668 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@H](C)CC[NH+](C)C ZINC000417323114 386498065 /nfs/dbraw/zinc/49/80/65/386498065.db2.gz XNPDSXHMMKQUBM-NXEZZACHSA-N 2 0 230.356 0.221 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000519598995 386498122 /nfs/dbraw/zinc/49/81/22/386498122.db2.gz KGIDQINRIRXLRZ-ZYHUDNBSSA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)[C@@H](C[NH2+]C[C@H](C)O)N1CC[NH+](C)CC1 ZINC000519598778 386500713 /nfs/dbraw/zinc/50/07/13/386500713.db2.gz RUSCEBYYUWKQIL-QWHCGFSZSA-N 2 0 243.395 0.229 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335442276 386502176 /nfs/dbraw/zinc/50/21/76/386502176.db2.gz FGYTXYICAOVRDL-RYUDHWBXSA-N 2 0 239.363 0.396 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335441585 386502624 /nfs/dbraw/zinc/50/26/24/386502624.db2.gz DSAAPXPZEWXLSL-MNOVXSKESA-N 2 0 225.336 0.054 20 0 BCADRP COC[C@@H](CC(C)C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415048988 386506698 /nfs/dbraw/zinc/50/66/98/386506698.db2.gz ZYGBAFONZFFMOR-WYUUTHIRSA-N 2 0 212.337 0.855 20 0 BCADRP C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000415049792 386506847 /nfs/dbraw/zinc/50/68/47/386506847.db2.gz BHPJUSNVLGHBAM-JHJVBQTASA-N 2 0 225.380 0.903 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335446807 386511290 /nfs/dbraw/zinc/51/12/90/386511290.db2.gz SSCRAJNXHXRODN-MNOVXSKESA-N 2 0 239.363 0.572 20 0 BCADRP Cc1c[nH]nc1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000335447313 386514141 /nfs/dbraw/zinc/51/41/41/386514141.db2.gz DPQAQYJYHPDZBY-QWRGUYRKSA-N 2 0 220.320 0.759 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000519642358 386516192 /nfs/dbraw/zinc/51/61/92/386516192.db2.gz ZKAJKQSWXFJPBI-OUAUKWLOSA-N 2 0 231.299 0.250 20 0 BCADRP [NH3+]CC1(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000335449151 386517852 /nfs/dbraw/zinc/51/78/52/386517852.db2.gz WCVNRUGOXJKJSM-WDEREUQCSA-N 3 0 209.337 0.267 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061645166 386525108 /nfs/dbraw/zinc/52/51/08/386525108.db2.gz KWQDRHCPSQJVEI-UWVGGRQHSA-N 2 0 213.325 0.276 20 0 BCADRP [NH3+]CCCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000417141604 386455861 /nfs/dbraw/zinc/45/58/61/386455861.db2.gz RMTDBRICGHLAMP-GHMZBOCLSA-N 2 0 240.351 0.261 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414772741 386463511 /nfs/dbraw/zinc/46/35/11/386463511.db2.gz VKISRBBJUYFLNM-MCIONIFRSA-N 3 0 237.391 0.917 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000094648197 386465642 /nfs/dbraw/zinc/46/56/42/386465642.db2.gz ZWOSTHOBJLBCMI-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000094648194 386465866 /nfs/dbraw/zinc/46/58/66/386465866.db2.gz UOLXMTUOEDXJKA-NEPJUHHUSA-N 2 0 241.379 0.831 20 0 BCADRP CO[C@]1(C[NH2+][C@@H]2CN(C)C[C@H]2C)CCOC1 ZINC000336757002 386577075 /nfs/dbraw/zinc/57/70/75/386577075.db2.gz HJUZWUJNIQYMQP-UTUOFQBUSA-N 2 0 228.336 0.332 20 0 BCADRP [NH3+]CCN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978097 386577845 /nfs/dbraw/zinc/57/78/45/386577845.db2.gz MODMTCSGYOPKJT-RYUDHWBXSA-N 2 0 211.353 0.657 20 0 BCADRP C[C@]1(CN[C@H]2CCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000414923594 386581848 /nfs/dbraw/zinc/58/18/48/386581848.db2.gz IQDJYAFHEQOWEL-SRVKXCTJSA-N 2 0 211.353 0.846 20 0 BCADRP O=C(NC[C@@H]1CC[NH2+]C1)C12CCC[NH+]1CCC2 ZINC000335415654 386582600 /nfs/dbraw/zinc/58/26/00/386582600.db2.gz VFMBNKWXSKYPSB-LLVKDONJSA-N 2 0 237.347 0.341 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000647905022 386583139 /nfs/dbraw/zinc/58/31/39/386583139.db2.gz LLTMALKATFMWDJ-IJLUTSLNSA-N 2 0 211.353 0.655 20 0 BCADRP COC(=O)c1ccc(CN[C@@H](C[NH3+])C2CC2)o1 ZINC000414799480 386593441 /nfs/dbraw/zinc/59/34/41/386593441.db2.gz JYCXZLXSASKKKE-JTQLQIEISA-N 2 0 238.287 0.893 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000647905615 386596220 /nfs/dbraw/zinc/59/62/20/386596220.db2.gz KXRDWVQGMRVVKM-ZYHUDNBSSA-N 2 0 235.331 0.554 20 0 BCADRP CC(C)(C[NH3+])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000123085434 386530722 /nfs/dbraw/zinc/53/07/22/386530722.db2.gz HLQILJCWOVSLNJ-UHFFFAOYSA-N 2 0 239.363 0.714 20 0 BCADRP Cc1cc(F)ccc1CN(CC[NH3+])CCO ZINC000414917244 386533611 /nfs/dbraw/zinc/53/36/11/386533611.db2.gz VMTVSDWPUTVLRR-UHFFFAOYSA-N 2 0 226.295 0.887 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000062972771 386535361 /nfs/dbraw/zinc/53/53/61/386535361.db2.gz UVVBUFAJFQQSTB-MNOVXSKESA-N 2 0 227.352 0.666 20 0 BCADRP CCC[C@H](C)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000519703080 386535950 /nfs/dbraw/zinc/53/59/50/386535950.db2.gz DUWAQSCVJSRLLC-SRVKXCTJSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)[C@@](C)(CN)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000519707694 386538711 /nfs/dbraw/zinc/53/87/11/386538711.db2.gz FYUMCHOAHKYGKW-NWDGAFQWSA-N 2 0 213.369 0.949 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)N2CC[NH2+]CC2)cc1 ZINC000519707764 386540575 /nfs/dbraw/zinc/54/05/75/386540575.db2.gz CQJBZIUKFGKARC-UHFFFAOYSA-N 2 0 248.330 0.260 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](O)C1 ZINC000061708384 386545850 /nfs/dbraw/zinc/54/58/50/386545850.db2.gz JUYYVNBMQRTNNE-NEPJUHHUSA-N 2 0 212.337 0.927 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000335463231 386547240 /nfs/dbraw/zinc/54/72/40/386547240.db2.gz SDSSOTIBTMUJGR-SKDRFNHKSA-N 2 0 233.315 0.337 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000335463006 386548080 /nfs/dbraw/zinc/54/80/80/386548080.db2.gz JKUKJGKZCWXGEJ-UWVGGRQHSA-N 2 0 225.336 0.276 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000335463365 386548591 /nfs/dbraw/zinc/54/85/91/386548591.db2.gz FCHBLJUONCBMGR-NSHDSACASA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414791761 386549744 /nfs/dbraw/zinc/54/97/44/386549744.db2.gz QYPBQKUWGPTRCQ-KXNHARMFSA-N 2 0 211.353 0.796 20 0 BCADRP C[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)F)[C@H](C)[NH3+] ZINC000519771748 386555651 /nfs/dbraw/zinc/55/56/51/386555651.db2.gz MUDXMNPNBQCROI-VQVTYTSYSA-N 2 0 223.267 0.068 20 0 BCADRP CC[C@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000184074459 386565729 /nfs/dbraw/zinc/56/57/29/386565729.db2.gz LYEMGZHJOISDSJ-CMPLNLGQSA-N 2 0 225.336 0.387 20 0 BCADRP [NH3+][C@@H](C(=O)N1CCC2(CC[NH2+]2)CC1)C1CCC1 ZINC000335406316 386566786 /nfs/dbraw/zinc/56/67/86/386566786.db2.gz KLUMQSZEJGLQTC-LLVKDONJSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+]CC1(CC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000335423727 386597788 /nfs/dbraw/zinc/59/77/88/386597788.db2.gz NJDHPTRHLUQAKU-MNOVXSKESA-N 2 0 237.347 0.183 20 0 BCADRP CC[C@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000184074688 386567108 /nfs/dbraw/zinc/56/71/08/386567108.db2.gz TXFKRDMUEDEQPI-WCQYABFASA-N 2 0 239.363 0.634 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)CC[NH2+]C1CC1)C(F)F ZINC000519832583 386567153 /nfs/dbraw/zinc/56/71/53/386567153.db2.gz JHXBXZGRDWGSHO-MRVPVSSYSA-N 2 0 235.278 0.227 20 0 BCADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000335409906 386571047 /nfs/dbraw/zinc/57/10/47/386571047.db2.gz QXTONCVAHVEWNB-NEPJUHHUSA-N 2 0 237.347 0.245 20 0 BCADRP O[C@@H](Cc1ccccc1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000644919814 386620561 /nfs/dbraw/zinc/62/05/61/386620561.db2.gz BBQYVGNVSJHSCF-KKUMJFAQSA-N 2 0 246.354 0.741 20 0 BCADRP C[C@]1(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)CC[NH2+]C1 ZINC000415110819 386621668 /nfs/dbraw/zinc/62/16/68/386621668.db2.gz QRZMBXQULDXMLT-MFKMUULPSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@]1(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)CC[NH2+]C1 ZINC000415110815 386621719 /nfs/dbraw/zinc/62/17/19/386621719.db2.gz QRZMBXQULDXMLT-GWCFXTLKSA-N 2 0 237.347 0.339 20 0 BCADRP CCN(C)C(=O)[C@H](C)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415104727 386622685 /nfs/dbraw/zinc/62/26/85/386622685.db2.gz LJGKDPAENSUJHX-SDDRHHMPSA-N 2 0 241.379 0.831 20 0 BCADRP COc1ccc2c(c1)OC[C@H](N[C@H]1CC[NH2+]C1)C2 ZINC000415102115 386624562 /nfs/dbraw/zinc/62/45/62/386624562.db2.gz JIVKFCFJUCILEA-NWDGAFQWSA-N 2 0 248.326 0.950 20 0 BCADRP COc1ccc2c(c1)OC[C@H](N[C@@H]1CC[NH2+]C1)C2 ZINC000415102117 386624799 /nfs/dbraw/zinc/62/47/99/386624799.db2.gz JIVKFCFJUCILEA-VXGBXAGGSA-N 2 0 248.326 0.950 20 0 BCADRP CC(C)(C)[NH2+]CCN1CCCO[C@H](C[NH3+])C1 ZINC000415114608 386627868 /nfs/dbraw/zinc/62/78/68/386627868.db2.gz WDAYHGMKKFMVII-LLVKDONJSA-N 2 0 229.368 0.424 20 0 BCADRP CC(C)(C)[NH2+]CCN1CCCO[C@@H](C[NH3+])C1 ZINC000415114609 386628829 /nfs/dbraw/zinc/62/88/29/386628829.db2.gz WDAYHGMKKFMVII-NSHDSACASA-N 2 0 229.368 0.424 20 0 BCADRP COC(=O)[C@@]1(C)CCC[N@H+](CCC[NH3+])C1 ZINC000415139579 386634770 /nfs/dbraw/zinc/63/47/70/386634770.db2.gz LSCVVYKIYVWPQA-NSHDSACASA-N 2 0 214.309 0.610 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415129377 386635624 /nfs/dbraw/zinc/63/56/24/386635624.db2.gz UNTBKIHPARXERB-VXGBXAGGSA-N 3 0 213.369 0.916 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062851751 386637695 /nfs/dbraw/zinc/63/76/95/386637695.db2.gz IXEVTNCRPHDYQM-NSHDSACASA-N 2 0 213.325 0.054 20 0 BCADRP COC[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)OC ZINC000336758685 386638082 /nfs/dbraw/zinc/63/80/82/386638082.db2.gz IMLCRCITUJZBOE-WOPDTQHZSA-N 2 0 230.352 0.578 20 0 BCADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)C12CCC[NH+]1CCC2 ZINC000335506657 386638400 /nfs/dbraw/zinc/63/84/00/386638400.db2.gz CSWYXZUMMSOKHI-WDEREUQCSA-N 2 0 237.347 0.563 20 0 BCADRP C[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000337190279 386641402 /nfs/dbraw/zinc/64/14/02/386641402.db2.gz SIWZLKHPEDARJX-ZDEQEGDKSA-N 2 0 242.363 0.551 20 0 BCADRP C[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000337190277 386642107 /nfs/dbraw/zinc/64/21/07/386642107.db2.gz SIWZLKHPEDARJX-UMSGYPCISA-N 2 0 242.363 0.551 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000339806890 386652603 /nfs/dbraw/zinc/65/26/03/386652603.db2.gz RRKMDILQQFZKEN-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@@]1(C(=O)NCCCC[NH3+])CC[NH2+]C1 ZINC000062900157 386653643 /nfs/dbraw/zinc/65/36/43/386653643.db2.gz TUAYNHJXCPDTOM-LLVKDONJSA-N 2 0 213.325 0.231 20 0 BCADRP CC[N@H+](CCCO)C[C@H](O)CN(C)C1CC1 ZINC000336645338 386599278 /nfs/dbraw/zinc/59/92/78/386599278.db2.gz CXEYBLHYJVGHOB-GFCCVEGCSA-N 2 0 230.352 0.146 20 0 BCADRP C[NH2+]CC1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000335425206 386600598 /nfs/dbraw/zinc/60/05/98/386600598.db2.gz YMHVQOFDJVMZJT-UHFFFAOYSA-N 2 0 225.336 0.054 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000335488923 386605808 /nfs/dbraw/zinc/60/58/08/386605808.db2.gz SNPZHZXAHAQWAH-NSHDSACASA-N 2 0 237.347 0.435 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000520228407 386607733 /nfs/dbraw/zinc/60/77/33/386607733.db2.gz JTOPDQWOQYBGMN-FXQIFTODSA-N 2 0 235.278 0.083 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000520227603 386607824 /nfs/dbraw/zinc/60/78/24/386607824.db2.gz RKZDEKLJQGLFRQ-NSHDSACASA-N 2 0 227.352 0.476 20 0 BCADRP CCNC(=O)C(C)(C)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415091149 386609614 /nfs/dbraw/zinc/60/96/14/386609614.db2.gz BUIZCTNUCYCFJP-MNOVXSKESA-N 2 0 241.379 0.879 20 0 BCADRP CCNC(=O)C(C)(C)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415091151 386610761 /nfs/dbraw/zinc/61/07/61/386610761.db2.gz BUIZCTNUCYCFJP-WDEREUQCSA-N 2 0 241.379 0.879 20 0 BCADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)CC[NH3+] ZINC000415109628 386619151 /nfs/dbraw/zinc/61/91/51/386619151.db2.gz NRYCECKGEZZUGY-UHFFFAOYSA-N 2 0 245.330 0.966 20 0 BCADRP CC[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@@H]1C[C@@H]1C ZINC000520393203 386662469 /nfs/dbraw/zinc/66/24/69/386662469.db2.gz RYELNEAALFRMIP-TUAOUCFPSA-N 2 0 239.363 0.442 20 0 BCADRP CC[NH2+]CCN[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000414820103 386666188 /nfs/dbraw/zinc/66/61/88/386666188.db2.gz AGQRECWRYOKHSO-VXGBXAGGSA-N 2 0 213.369 0.916 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000520405787 386668877 /nfs/dbraw/zinc/66/88/77/386668877.db2.gz WWQFWMAWWHVWGR-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP C[C@]1(C[NH3+])CC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000647954464 386682648 /nfs/dbraw/zinc/68/26/48/386682648.db2.gz NJPMBAYDXCVFEE-QWHCGFSZSA-N 2 0 242.363 0.853 20 0 BCADRP C[C@@]1(C[NH3+])CC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000647954465 386680742 /nfs/dbraw/zinc/68/07/42/386680742.db2.gz NJPMBAYDXCVFEE-STQMWFEESA-N 2 0 242.363 0.853 20 0 BCADRP C[C@@]1(C[NH3+])CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000647954731 386681521 /nfs/dbraw/zinc/68/15/21/386681521.db2.gz UPHXJZGKZWLELD-NEPJUHHUSA-N 3 0 211.353 0.657 20 0 BCADRP Cn1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1=O ZINC000647951245 386658229 /nfs/dbraw/zinc/65/82/29/386658229.db2.gz MUDIWAYELGFUSI-GFCCVEGCSA-N 2 0 249.358 0.946 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)C[C@@H]21 ZINC000647907741 386699034 /nfs/dbraw/zinc/69/90/34/386699034.db2.gz NYCYNNIHSJQHON-FVCCEPFGSA-N 3 0 223.364 0.655 20 0 BCADRP C(C[C@@H]1CC[NH2+]C1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414828693 386701255 /nfs/dbraw/zinc/70/12/55/386701255.db2.gz JHQCFXQSRFOIIU-RYUDHWBXSA-N 3 0 211.353 0.575 20 0 BCADRP C(C[C@@H]1CC[NH2+]C1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414828692 386702007 /nfs/dbraw/zinc/70/20/07/386702007.db2.gz JHQCFXQSRFOIIU-NWDGAFQWSA-N 3 0 211.353 0.575 20 0 BCADRP C[C@]1(F)CNCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000335477905 386704363 /nfs/dbraw/zinc/70/43/63/386704363.db2.gz COMKARYKXSMHOO-LBPRGKRZSA-N 2 0 229.343 0.619 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1CC[C@@H]1CC[NH2+]C1 ZINC000647958609 386705975 /nfs/dbraw/zinc/70/59/75/386705975.db2.gz OUDNBANQNLOPBK-SRVKXCTJSA-N 2 0 229.343 0.618 20 0 BCADRP C[C@@]1(C[NH2+]CC[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000414837500 386733353 /nfs/dbraw/zinc/73/33/53/386733353.db2.gz KGAVLDYMIXNRPM-STQMWFEESA-N 3 0 225.380 0.965 20 0 BCADRP CCN1C[C@H]([NH2+][C@@H](C)CCC[NH3+])CC1=O ZINC000391504827 386734737 /nfs/dbraw/zinc/73/47/37/386734737.db2.gz LEMVFTBEKBLXEK-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+][C@H](CN[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000414840402 386739998 /nfs/dbraw/zinc/73/99/98/386739998.db2.gz XABGVIGUEMSMKL-VXGBXAGGSA-N 2 0 205.305 0.638 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000645101109 386721023 /nfs/dbraw/zinc/72/10/23/386721023.db2.gz WIUFCDYXWSZDMU-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645104601 386724268 /nfs/dbraw/zinc/72/42/68/386724268.db2.gz PGJLOCFBDBAIJB-IJLUTSLNSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417792730 386728314 /nfs/dbraw/zinc/72/83/14/386728314.db2.gz YPHCOBPLMMCFIK-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000357240686 386745173 /nfs/dbraw/zinc/74/51/73/386745173.db2.gz JYOGGNHWCNQLIF-NSHDSACASA-N 2 0 235.331 0.569 20 0 BCADRP C[C@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000335539907 386746953 /nfs/dbraw/zinc/74/69/53/386746953.db2.gz ZJOYGBQATZGYRJ-JQWIXIFHSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000357253949 386747354 /nfs/dbraw/zinc/74/73/54/386747354.db2.gz XOUNVTPTMWGLGA-MWLCHTKSSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334149614 386750807 /nfs/dbraw/zinc/75/08/07/386750807.db2.gz HTTYBOXERYLKOR-PWSUYJOCSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC000336664326 386761584 /nfs/dbraw/zinc/76/15/84/386761584.db2.gz DVHZPVHCWZHVMS-SECBINFHSA-N 2 0 201.314 0.051 20 0 BCADRP [NH3+]C[C@H](N[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000414838936 386740976 /nfs/dbraw/zinc/74/09/76/386740976.db2.gz KYVMEXYIFATODR-NEPJUHHUSA-N 2 0 211.353 0.846 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)CC[NH2+]C)C1 ZINC000357235346 386741382 /nfs/dbraw/zinc/74/13/82/386741382.db2.gz BTNDDXJZLKFTRM-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000357229283 386741804 /nfs/dbraw/zinc/74/18/04/386741804.db2.gz VOKIHXYPBSDNDN-NTZNESFSSA-N 2 0 239.363 0.620 20 0 BCADRP CC1CC[NH+](CC(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000335537730 386742058 /nfs/dbraw/zinc/74/20/58/386742058.db2.gz BPQGQUKBXUKLRY-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000357236381 386744389 /nfs/dbraw/zinc/74/43/89/386744389.db2.gz CVMZDWAVLXKZCK-KKZNHRDASA-N 2 0 225.336 0.180 20 0 BCADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H](C)C[NH3+] ZINC000417831128 386789814 /nfs/dbraw/zinc/78/98/14/386789814.db2.gz KCIWLYXVDGVVEH-ZWNOBZJWSA-N 2 0 249.358 0.960 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000417835964 386794609 /nfs/dbraw/zinc/79/46/09/386794609.db2.gz UJWPBZMBUDYUOK-DCAQKATOSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019488071 386779186 /nfs/dbraw/zinc/77/91/86/386779186.db2.gz QCAKRCUKYMGVKX-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](CO)O2)CC[N@@H+]1C ZINC000340415942 386779413 /nfs/dbraw/zinc/77/94/13/386779413.db2.gz YWIUPJCGHNAPEE-FDYHWXHSSA-N 2 0 242.363 0.599 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)N1CC[NH2+]CC1 ZINC000417811783 386780332 /nfs/dbraw/zinc/78/03/32/386780332.db2.gz KBHCYARBSOKVKZ-UHFFFAOYSA-N 2 0 242.367 0.333 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000417813588 386781548 /nfs/dbraw/zinc/78/15/48/386781548.db2.gz MPBADBWGOFQNGQ-OPRDCNLKSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@H]1CCN(C(=O)C[NH2+]CC2CC2)C[C@H]1C[NH3+] ZINC000417825849 386785327 /nfs/dbraw/zinc/78/53/27/386785327.db2.gz BPMSLABAKCDAEN-CMPLNLGQSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCC[NH2+]C1 ZINC000414935760 386816439 /nfs/dbraw/zinc/81/64/39/386816439.db2.gz UQOUWXNSYUPDGJ-GRYCIOLGSA-N 2 0 211.353 0.574 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000417839207 386797014 /nfs/dbraw/zinc/79/70/14/386797014.db2.gz NLVDHKJLFHEDLJ-ONGXEEELSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000417837505 386797439 /nfs/dbraw/zinc/79/74/39/386797439.db2.gz MMEDTWJRAYMNGP-GRYCIOLGSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000417852296 386803390 /nfs/dbraw/zinc/80/33/90/386803390.db2.gz ZEOLCWVBTOMMQW-NXEZZACHSA-N 2 0 229.368 0.707 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000417848233 386804586 /nfs/dbraw/zinc/80/45/86/386804586.db2.gz KISUAXWXEKCTFT-AXFHLTTASA-N 2 0 242.367 0.506 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000417847475 386805046 /nfs/dbraw/zinc/80/50/46/386805046.db2.gz USVXTRRCUVQZMD-JGVFFNPUSA-N 2 0 201.314 0.213 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417848581 386807739 /nfs/dbraw/zinc/80/77/39/386807739.db2.gz VOWPWEASLOFSAB-MXWKQRLJSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000417848604 386808068 /nfs/dbraw/zinc/80/80/68/386808068.db2.gz VQJXOUWRHLUANE-NTZNESFSSA-N 2 0 239.363 0.429 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)CC[NH3+] ZINC000417850392 386808080 /nfs/dbraw/zinc/80/80/80/386808080.db2.gz XOIZGMHRVCOCAM-SECBINFHSA-N 2 0 215.341 0.428 20 0 BCADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCOCC[NH3+] ZINC000336671102 386812070 /nfs/dbraw/zinc/81/20/70/386812070.db2.gz NQMRFLUZWDNDNM-NSHDSACASA-N 3 0 217.357 0.267 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366558359 386837267 /nfs/dbraw/zinc/83/72/67/386837267.db2.gz VWCUIPGGQYFDJK-UWVGGRQHSA-N 2 0 231.315 0.143 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000237406034 386841980 /nfs/dbraw/zinc/84/19/80/386841980.db2.gz RPGYPQZQDMYSTG-GHMZBOCLSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000367285217 386850661 /nfs/dbraw/zinc/85/06/61/386850661.db2.gz CCYOVYZXHLGNCA-GVXVVHGQSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CCC[NH2+]1 ZINC000331487664 386860170 /nfs/dbraw/zinc/86/01/70/386860170.db2.gz QRBDVYIRBHJQCN-UTUOFQBUSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000418006957 386865740 /nfs/dbraw/zinc/86/57/40/386865740.db2.gz QQYHJHWXWYKTAM-OUAUKWLOSA-N 2 0 242.367 0.363 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000418006956 386866005 /nfs/dbraw/zinc/86/60/05/386866005.db2.gz QQYHJHWXWYKTAM-MXWKQRLJSA-N 2 0 242.367 0.363 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H](C)C[NH+](C)C)[NH+](C)C ZINC000341255090 386867524 /nfs/dbraw/zinc/86/75/24/386867524.db2.gz GTPPDMSJMVXDFG-VXGBXAGGSA-N 2 0 243.395 0.887 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H](C)C[NH+](C)C)[NH+](C)C ZINC000341258020 386870467 /nfs/dbraw/zinc/87/04/67/386870467.db2.gz KTGAYGOQTYOTIG-MNOVXSKESA-N 2 0 229.368 0.641 20 0 BCADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH+](C)C ZINC000341274500 386875285 /nfs/dbraw/zinc/87/52/85/386875285.db2.gz CBIMFARPHKICQX-GHMZBOCLSA-N 2 0 227.352 0.395 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000418010098 386882628 /nfs/dbraw/zinc/88/26/28/386882628.db2.gz VKDUBHXCHAPSGW-VWYCJHECSA-N 2 0 242.367 0.376 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000335756227 386884160 /nfs/dbraw/zinc/88/41/60/386884160.db2.gz YBTCSYJZWGYHRV-UWVGGRQHSA-N 2 0 225.336 0.182 20 0 BCADRP COC[C@@]1(CNC[C@H]([NH3+])CC(C)C)CCC[NH2+]1 ZINC000414942400 386888861 /nfs/dbraw/zinc/88/88/61/386888861.db2.gz BUABJTNWHDTDTC-OLZOCXBDSA-N 2 0 243.395 0.718 20 0 BCADRP [NH3+]CC1(C[NH+]2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000334849348 386898636 /nfs/dbraw/zinc/89/86/36/386898636.db2.gz PROHMCBSVJYNIM-UHFFFAOYSA-N 3 0 223.364 0.801 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000418012777 386906755 /nfs/dbraw/zinc/90/67/55/386906755.db2.gz YKNSVOBQXYXWLB-KXUCPTDWSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000331821205 386911928 /nfs/dbraw/zinc/91/19/28/386911928.db2.gz ZGUDSWHAQZDEOW-KKZNHRDASA-N 2 0 240.351 0.116 20 0 BCADRP CC(=O)NCCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000336762453 386925455 /nfs/dbraw/zinc/92/54/55/386925455.db2.gz ODZTWIUHIUVITH-GXSJLCMTSA-N 2 0 213.325 0.052 20 0 BCADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000367984469 386925572 /nfs/dbraw/zinc/92/55/72/386925572.db2.gz XQTDFTBFVAPKOV-GFCCVEGCSA-N 2 0 241.379 0.916 20 0 BCADRP [NH3+]C[C@H]1CC[N@H+](CCC(=O)Nc2cccnc2)C1 ZINC000358320942 386932534 /nfs/dbraw/zinc/93/25/34/386932534.db2.gz MZKVLRRBTPMMTK-LLVKDONJSA-N 2 0 248.330 0.691 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000335833855 386934181 /nfs/dbraw/zinc/93/41/81/386934181.db2.gz WZFHLIPZGIILTB-RYUDHWBXSA-N 2 0 239.363 0.491 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N(C)C1CC([NH3+])C1 ZINC000331995891 386939487 /nfs/dbraw/zinc/93/94/87/386939487.db2.gz FIDXCYRNBJJGGJ-UDNWOFFPSA-N 2 0 228.340 0.101 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368101122 386940744 /nfs/dbraw/zinc/94/07/44/386940744.db2.gz SMRUQXJRQYHNGH-WOPDTQHZSA-N 2 0 239.363 0.428 20 0 BCADRP CC(C)[C@H]([NH3+])CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000332014269 386941929 /nfs/dbraw/zinc/94/19/29/386941929.db2.gz PZTSTOAHMCMOPG-UTUOFQBUSA-N 2 0 213.369 0.947 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368104195 386942446 /nfs/dbraw/zinc/94/24/46/386942446.db2.gz CKZWEUFBNMBPNI-NWDGAFQWSA-N 2 0 239.363 0.396 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000368122723 386943888 /nfs/dbraw/zinc/94/38/88/386943888.db2.gz BYDIJHMOMHEVNK-NEPJUHHUSA-N 2 0 239.363 0.489 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000368126981 386944030 /nfs/dbraw/zinc/94/40/30/386944030.db2.gz VEGUXGAHUXOFCQ-UTUOFQBUSA-N 2 0 239.363 0.441 20 0 BCADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000334817922 386945427 /nfs/dbraw/zinc/94/54/27/386945427.db2.gz ADYRUYNGEQSTPX-YPMHNXCESA-N 3 0 225.380 0.903 20 0 BCADRP [NH3+]C1(CN[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC000334817523 386945486 /nfs/dbraw/zinc/94/54/86/386945486.db2.gz HRBDEHQAUUZQDN-LLVKDONJSA-N 2 0 211.353 0.990 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000368261040 386955192 /nfs/dbraw/zinc/95/51/92/386955192.db2.gz AGTILRWZKHFUMX-XWLWVQCSSA-N 2 0 225.336 0.310 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000518976297 386965590 /nfs/dbraw/zinc/96/55/90/386965590.db2.gz MEECTJZXAUUFHY-NHCYSSNCSA-N 2 0 227.352 0.761 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368368343 386966506 /nfs/dbraw/zinc/96/65/06/386966506.db2.gz BRKMBACWOUBSHA-GARJFASQSA-N 2 0 239.363 0.570 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000518980781 386968600 /nfs/dbraw/zinc/96/86/00/386968600.db2.gz KERWGJHTEDQDCW-MNOVXSKESA-N 2 0 241.379 0.947 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000334931293 387007695 /nfs/dbraw/zinc/00/76/95/387007695.db2.gz RLTNHFSZAUJPJP-JTQLQIEISA-N 2 0 242.367 0.330 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000518980780 386970161 /nfs/dbraw/zinc/97/01/61/386970161.db2.gz KERWGJHTEDQDCW-GHMZBOCLSA-N 2 0 241.379 0.947 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@H](CO)C1CCCC1 ZINC000395189313 386971193 /nfs/dbraw/zinc/97/11/93/386971193.db2.gz HNTLYAPTGATEMN-QWHCGFSZSA-N 2 0 244.379 0.881 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000368451899 386974262 /nfs/dbraw/zinc/97/42/62/386974262.db2.gz VVCWVGDGKQDSRZ-UMNHJUIQSA-N 2 0 243.326 0.416 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](COC)C1 ZINC000518990833 386975700 /nfs/dbraw/zinc/97/57/00/386975700.db2.gz SONIKZUUODTDRB-RYUDHWBXSA-N 2 0 230.352 0.315 20 0 BCADRP C[C@@H](NCC1([NH3+])CCC1)[C@@H]1CCCC[NH2+]1 ZINC000332428710 386977361 /nfs/dbraw/zinc/97/73/61/386977361.db2.gz AEDPSCMJQLIVCO-MNOVXSKESA-N 2 0 211.353 0.988 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000332485096 386983159 /nfs/dbraw/zinc/98/31/59/386983159.db2.gz QLDXJAKPGBJFEF-GDPRMGEGSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]([NH3+])C1CCC1 ZINC000332485103 386983279 /nfs/dbraw/zinc/98/32/79/386983279.db2.gz QLDXJAKPGBJFEF-JMJZKYOTSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000332485104 386984250 /nfs/dbraw/zinc/98/42/50/386984250.db2.gz QLDXJAKPGBJFEF-LSJOCFKGSA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)(O)CCN1CCCC[C@@H]1C(=[NH2+])NO ZINC000368526074 386984718 /nfs/dbraw/zinc/98/47/18/386984718.db2.gz RFSQTFBAKKTZQZ-SECBINFHSA-N 2 0 229.324 0.958 20 0 BCADRP CC[C@]1(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000332615115 386995784 /nfs/dbraw/zinc/99/57/84/386995784.db2.gz DZUAMZHRRBMIQQ-JFGNBEQYSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000334921168 386996933 /nfs/dbraw/zinc/99/69/33/386996933.db2.gz DLGMIPHDFUFFDL-GHMZBOCLSA-N 2 0 240.351 0.084 20 0 BCADRP [NH3+][C@H](C(=O)NC[C@H]1CCCC[NH2+]1)C1CCC1 ZINC000643426053 386996979 /nfs/dbraw/zinc/99/69/79/386996979.db2.gz XJJHSXQKIOSLCX-MNOVXSKESA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000332658828 386998745 /nfs/dbraw/zinc/99/87/45/386998745.db2.gz ODYXGVVSVXUKIT-BJDJZHNGSA-N 2 0 239.363 0.426 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368688298 387001741 /nfs/dbraw/zinc/00/17/41/387001741.db2.gz OJLCOZHRBMNSSH-NOOOWODRSA-N 2 0 237.347 0.182 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368184450 386948280 /nfs/dbraw/zinc/94/82/80/386948280.db2.gz KNHZBLQHYFPKPJ-VXGBXAGGSA-N 2 0 237.347 0.196 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368184449 386948650 /nfs/dbraw/zinc/94/86/50/386948650.db2.gz KNHZBLQHYFPKPJ-RYUDHWBXSA-N 2 0 237.347 0.196 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000334820281 386949325 /nfs/dbraw/zinc/94/93/25/386949325.db2.gz WEJSEGNZWQTRKG-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP Cc1cnccc1NC(=O)NCC(C)(C)[NH3+] ZINC000334821203 386950404 /nfs/dbraw/zinc/95/04/04/386950404.db2.gz JDUWAKDRPIJLCX-UHFFFAOYSA-N 2 0 222.292 0.671 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000334953671 387031042 /nfs/dbraw/zinc/03/10/42/387031042.db2.gz SVPGWFKTRLQYGJ-SECBINFHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000334954935 387031989 /nfs/dbraw/zinc/03/19/89/387031989.db2.gz GLBSCBRAQIIAPR-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000398998475 387036557 /nfs/dbraw/zinc/03/65/57/387036557.db2.gz BKLDRYRWUGVMHR-PWSUYJOCSA-N 2 0 241.379 0.960 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000399005910 387036763 /nfs/dbraw/zinc/03/67/63/387036763.db2.gz YBHJFGPEEJUSSM-KOLCDFICSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1CCN(C(=O)C2([NH3+])CCCC2)C[C@H]1C[NH3+] ZINC000334962197 387043251 /nfs/dbraw/zinc/04/32/51/387043251.db2.gz RIVYRQNRAKFRDU-GHMZBOCLSA-N 2 0 239.363 0.701 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000334964681 387044998 /nfs/dbraw/zinc/04/49/98/387044998.db2.gz AHSPFDNLNHNWJR-WDEREUQCSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)C1CCCC1 ZINC000333672335 387049486 /nfs/dbraw/zinc/04/94/86/387049486.db2.gz YNBOEOWEAQUYNT-NEPJUHHUSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333706996 387052253 /nfs/dbraw/zinc/05/22/53/387052253.db2.gz RQIHRPROKAAMJF-AXFHLTTASA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC[N@@H+]1C ZINC000648108006 387053366 /nfs/dbraw/zinc/05/33/66/387053366.db2.gz LGPUMLHALRWNFM-DDHJBXDOSA-N 2 0 239.363 0.535 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000648108242 387055310 /nfs/dbraw/zinc/05/53/10/387055310.db2.gz OLFNEWGWXXCIIV-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@]1(F)CNCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000334970789 387055565 /nfs/dbraw/zinc/05/55/65/387055565.db2.gz GIKIIHTWCUTYAM-RYUDHWBXSA-N 2 0 229.343 0.619 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000645503814 387057047 /nfs/dbraw/zinc/05/70/47/387057047.db2.gz QXBLTVCVGDCUBL-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@@H]3CCCC[NH2+]3)C[C@@H]12 ZINC000648109162 387063921 /nfs/dbraw/zinc/06/39/21/387063921.db2.gz CEGAKGSHZHSQCN-QCNOEVLYSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@]1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCC[NH2+]C1 ZINC000648108939 387064640 /nfs/dbraw/zinc/06/46/40/387064640.db2.gz FCKCKBSYQQAAHH-HNCHTBHHSA-N 2 0 237.347 0.243 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N1CCC[NH2+]CC1 ZINC000334939740 387016102 /nfs/dbraw/zinc/01/61/02/387016102.db2.gz FFYFLNDCGPKFJP-WDEREUQCSA-N 2 0 240.351 0.119 20 0 BCADRP C[C@H]([NH2+]CCC(N)=O)C1=CC[N@H+](C)CC1 ZINC000519144223 387020961 /nfs/dbraw/zinc/02/09/61/387020961.db2.gz SYSLBKCUCTXKCP-VIFPVBQESA-N 2 0 211.309 0.102 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NCC(C)(C)[NH3+])C1 ZINC000334943917 387022590 /nfs/dbraw/zinc/02/25/90/387022590.db2.gz KTAHNFKHGHSBIW-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000070316059 387066146 /nfs/dbraw/zinc/06/61/46/387066146.db2.gz YFWHQBORIHQALT-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000398949788 387028727 /nfs/dbraw/zinc/02/87/27/387028727.db2.gz BHHWLVGBIVJJMF-QWRGUYRKSA-N 2 0 225.336 0.324 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)NCC1C[NH2+]C1 ZINC000648105979 387029286 /nfs/dbraw/zinc/02/92/86/387029286.db2.gz WONOLRZGZVVCFR-UHFFFAOYSA-N 2 0 234.303 0.097 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000359224720 387069882 /nfs/dbraw/zinc/06/98/82/387069882.db2.gz FPYRTWPGYQVEOG-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H](CO)C[N@@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000639766764 387070095 /nfs/dbraw/zinc/07/00/95/387070095.db2.gz OROGFPDSAAVXBO-RYUDHWBXSA-N 2 0 230.352 0.003 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000418055943 387077601 /nfs/dbraw/zinc/07/76/01/387077601.db2.gz HCXGNXAUNLLZIT-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000127131896 387078362 /nfs/dbraw/zinc/07/83/62/387078362.db2.gz HKOHWBUYNKXXKS-NWDGAFQWSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH+]1CCC(NC(=O)c2c[nH+]ccc2N)CC1 ZINC000127142547 387078518 /nfs/dbraw/zinc/07/85/18/387078518.db2.gz NMEKXDXPVSRILQ-UHFFFAOYSA-N 2 0 234.303 0.488 20 0 BCADRP c1cnn(CC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000334993418 387084122 /nfs/dbraw/zinc/08/41/22/387084122.db2.gz QJMASEYMTVLNQT-ZDUSSCGKSA-N 2 0 234.347 0.959 20 0 BCADRP CN(C)C(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000334994948 387086074 /nfs/dbraw/zinc/08/60/74/387086074.db2.gz BPRHUKRSRYPBLM-GFCCVEGCSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000370660999 387131117 /nfs/dbraw/zinc/13/11/17/387131117.db2.gz ZSIJTCFBGZLGRM-DTWKUNHWSA-N 2 0 248.330 0.649 20 0 BCADRP CN(C(=O)c1c[nH+]ccc1N)C1CC[NH+](C)CC1 ZINC000126973523 387092423 /nfs/dbraw/zinc/09/24/23/387092423.db2.gz LJBQKBUSJGUAIX-UHFFFAOYSA-N 2 0 248.330 0.830 20 0 BCADRP C[NH+]1CCC(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359426952 387099425 /nfs/dbraw/zinc/09/94/25/387099425.db2.gz FLFZJIXDWIBXMR-TXEJJXNPSA-N 2 0 237.347 0.006 20 0 BCADRP C[N@H+](CCNC(=O)C(C)(C)C[NH3+])C1CCCC1 ZINC000071377509 387102842 /nfs/dbraw/zinc/10/28/42/387102842.db2.gz ILQGCXBRLWWOCL-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000370304258 387107883 /nfs/dbraw/zinc/10/78/83/387107883.db2.gz XKWDHAUCPGLCGX-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@]1(C(=O)N2CCC[C@H]([NH2+]C)C2)CC[NH2+]C1 ZINC000119223975 387112121 /nfs/dbraw/zinc/11/21/21/387112121.db2.gz KJQVTIOPVFKBHY-AAEUAGOBSA-N 2 0 239.363 0.587 20 0 BCADRP CCCC[C@H](C[NH3+])N[C@H]1CC[N@H+](CCOC)C1 ZINC000423299716 387128877 /nfs/dbraw/zinc/12/88/77/387128877.db2.gz QMXXUDPJXFZRCC-OLZOCXBDSA-N 2 0 243.395 0.814 20 0 BCADRP CCCC[C@@H](C[NH3+])N[C@H]1CC[N@H+](CCOC)C1 ZINC000423299718 387129938 /nfs/dbraw/zinc/12/99/38/387129938.db2.gz QMXXUDPJXFZRCC-STQMWFEESA-N 2 0 243.395 0.814 20 0 BCADRP CC[N@@H+]1C[C@@H](C)[C@@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000423305769 387141916 /nfs/dbraw/zinc/14/19/16/387141916.db2.gz RIFYWLYSTIMCIR-WOPDTQHZSA-N 2 0 211.353 0.668 20 0 BCADRP CC[N@@H+]1C[C@@H](C)[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000423305768 387142038 /nfs/dbraw/zinc/14/20/38/387142038.db2.gz RIFYWLYSTIMCIR-GRYCIOLGSA-N 2 0 211.353 0.668 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000353128279 387143432 /nfs/dbraw/zinc/14/34/32/387143432.db2.gz KPIPGYZWSJJUDI-UTUOFQBUSA-N 2 0 239.363 0.474 20 0 BCADRP C1CC1[C@H](N[C@H]1CCC[NH2+]C1)[C@@H]1C[NH2+]CCO1 ZINC000423308446 387143606 /nfs/dbraw/zinc/14/36/06/387143606.db2.gz XZGRVBPTJHVQJQ-AVGNSLFASA-N 2 0 239.363 0.095 20 0 BCADRP [NH3+]CC1(CC(=O)NCC[NH+]2CCCC2)CC1 ZINC000423307887 387144506 /nfs/dbraw/zinc/14/45/06/387144506.db2.gz NVYBZNGBUSRNME-UHFFFAOYSA-N 2 0 225.336 0.327 20 0 BCADRP COC[C@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400386465 387151385 /nfs/dbraw/zinc/15/13/85/387151385.db2.gz MAFIMCMNCWMFRO-OUAUKWLOSA-N 2 0 200.326 0.999 20 0 BCADRP COCC[NH2+]CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000423314147 387154082 /nfs/dbraw/zinc/15/40/82/387154082.db2.gz GRSAELUKEUIUJG-YNEHKIRRSA-N 2 0 243.395 0.541 20 0 BCADRP COCC[NH2+]CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000423314146 387154296 /nfs/dbraw/zinc/15/42/96/387154296.db2.gz GRSAELUKEUIUJG-RWMBFGLXSA-N 2 0 243.395 0.541 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000250243165 387154643 /nfs/dbraw/zinc/15/46/43/387154643.db2.gz MYKPOFHKNQWAPD-UTUOFQBUSA-N 2 0 239.363 0.809 20 0 BCADRP COCC[NH2+]CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000423318424 387158886 /nfs/dbraw/zinc/15/88/86/387158886.db2.gz BRIKISMFKRNXDO-NEPJUHHUSA-N 2 0 229.368 0.472 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000336334807 387160203 /nfs/dbraw/zinc/16/02/03/387160203.db2.gz ZBQXCEKXZOHUMR-CMPLNLGQSA-N 2 0 225.336 0.326 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000336334808 387160404 /nfs/dbraw/zinc/16/04/04/387160404.db2.gz ZBQXCEKXZOHUMR-JQWIXIFHSA-N 2 0 225.336 0.326 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH3+] ZINC000571761614 387163605 /nfs/dbraw/zinc/16/36/05/387163605.db2.gz SDSRFCAXZUHWHY-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H]([NH3+])C2CC2)C1 ZINC000423327479 387170265 /nfs/dbraw/zinc/17/02/65/387170265.db2.gz RQMYRDWBKZLCRY-MVWJERBFSA-N 2 0 211.353 0.654 20 0 BCADRP C[C@@H](C(=O)N1CCCC[C@@H]1C[NH3+])C1C[NH2+]C1 ZINC000571797792 387172265 /nfs/dbraw/zinc/17/22/65/387172265.db2.gz YOZSTNGMVDINTB-MWLCHTKSSA-N 2 0 225.336 0.182 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371232262 387178227 /nfs/dbraw/zinc/17/82/27/387178227.db2.gz RLXZMFGTWBLDPX-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371232265 387179440 /nfs/dbraw/zinc/17/94/40/387179440.db2.gz RLXZMFGTWBLDPX-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062901826 387179948 /nfs/dbraw/zinc/17/99/48/387179948.db2.gz LKKKYWLCMAJAAT-ZYHUDNBSSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000229601027 387187284 /nfs/dbraw/zinc/18/72/84/387187284.db2.gz NGZLZRVQBVTSHD-GARJFASQSA-N 2 0 200.326 0.687 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062967602 387189767 /nfs/dbraw/zinc/18/97/67/387189767.db2.gz ZGAVTPNDNWNHBA-GHMZBOCLSA-N 2 0 227.352 0.380 20 0 BCADRP [NH3+]CCC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973080 387190237 /nfs/dbraw/zinc/19/02/37/387190237.db2.gz CNZNWHZCURJLPU-JTQLQIEISA-N 2 0 211.309 0.032 20 0 BCADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCC[NH3+] ZINC000418101075 387132747 /nfs/dbraw/zinc/13/27/47/387132747.db2.gz QXSFHFMQQXEJGA-JTQLQIEISA-N 2 0 242.367 0.365 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000367350297 387135814 /nfs/dbraw/zinc/13/58/14/387135814.db2.gz UHQBQDLXSZIFPS-GHMZBOCLSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@H](C[NH+](C)C)NC(=O)NCC[N@H+](C)C1CC1 ZINC000353109431 387140138 /nfs/dbraw/zinc/14/01/38/387140138.db2.gz GWVNPQYRCOYVQW-SNVBAGLBSA-N 2 0 242.367 0.330 20 0 BCADRP COC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C(C)C ZINC000361884370 387203281 /nfs/dbraw/zinc/20/32/81/387203281.db2.gz CQYVZUAIZHBCFF-GFCCVEGCSA-N 2 0 244.379 0.704 20 0 BCADRP COC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)C1CC1 ZINC000397972560 387203499 /nfs/dbraw/zinc/20/34/99/387203499.db2.gz ULTRBKSYIVBLFH-QWRGUYRKSA-N 2 0 200.326 0.984 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000353450587 387205145 /nfs/dbraw/zinc/20/51/45/387205145.db2.gz ORQAKCJDQMGOAR-MXWKQRLJSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@H](C[C@H]1COCCN1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356499 387208603 /nfs/dbraw/zinc/20/86/03/387208603.db2.gz JZYUGLTXBUFMIG-UPJWGTAASA-N 2 0 241.379 0.485 20 0 BCADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC[NH2+]C ZINC000418200260 387211079 /nfs/dbraw/zinc/21/10/79/387211079.db2.gz KITTZWFRQMLCKI-LLVKDONJSA-N 2 0 244.383 0.625 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H](C)C[NH3+] ZINC000418200467 387211659 /nfs/dbraw/zinc/21/16/59/387211659.db2.gz QFEKILXWRYMIKK-MNOVXSKESA-N 2 0 244.383 0.609 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423359892 387212748 /nfs/dbraw/zinc/21/27/48/387212748.db2.gz PVKGBIJJVHFCRU-QJPTWQEYSA-N 2 0 211.353 0.716 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC(C)(C)[NH3+] ZINC000418196773 387216229 /nfs/dbraw/zinc/21/62/29/387216229.db2.gz IHDIPDGQTPNXKN-JTQLQIEISA-N 2 0 244.383 0.752 20 0 BCADRP CC1(CNC(=O)[C@H]([NH3+])CC(F)F)CC[NH2+]CC1 ZINC000572000138 387216970 /nfs/dbraw/zinc/21/69/70/387216970.db2.gz NLYUKBFKBYEETH-MRVPVSSYSA-N 2 0 249.305 0.475 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000572001771 387218667 /nfs/dbraw/zinc/21/86/67/387218667.db2.gz UFFCIQDBRLLUOX-GFCCVEGCSA-N 2 0 227.352 0.526 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000418206149 387219609 /nfs/dbraw/zinc/21/96/09/387219609.db2.gz OCXUSVOSVMDUIR-HBNTYKKESA-N 2 0 242.367 0.315 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000418206148 387220357 /nfs/dbraw/zinc/22/03/57/387220357.db2.gz OCXUSVOSVMDUIR-GARJFASQSA-N 2 0 242.367 0.315 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000418210675 387221429 /nfs/dbraw/zinc/22/14/29/387221429.db2.gz SSAYOTJFDODDCP-GARJFASQSA-N 2 0 242.367 0.328 20 0 BCADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](C)C[NH3+] ZINC000418210279 387222381 /nfs/dbraw/zinc/22/23/81/387222381.db2.gz XLMGEEZJSWRGGU-MNOVXSKESA-N 2 0 244.383 0.753 20 0 BCADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)C[NH3+] ZINC000418210277 387222628 /nfs/dbraw/zinc/22/26/28/387222628.db2.gz XLMGEEZJSWRGGU-GHMZBOCLSA-N 2 0 244.383 0.753 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)NCCC[NH2+]C1CC1 ZINC000418214671 387223785 /nfs/dbraw/zinc/22/37/85/387223785.db2.gz XMKLOVKUDJLFJX-JTQLQIEISA-N 2 0 242.367 0.378 20 0 BCADRP C[NH2+]CCC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000572118100 387238415 /nfs/dbraw/zinc/23/84/15/387238415.db2.gz UPXXTRJYWLDFPD-UHFFFAOYSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCCC[NH2+]1 ZINC000423422005 387250965 /nfs/dbraw/zinc/25/09/65/387250965.db2.gz CGMKALKMMDBKSM-GCHJQGSQSA-N 2 0 209.337 0.324 20 0 BCADRP C[C@]1(CN[C@H]2CCC[C@H]2[NH3+])CCC[NH2+]C1 ZINC000423346155 387195808 /nfs/dbraw/zinc/19/58/08/387195808.db2.gz PSOLDYSKEYLOOT-WOPDTQHZSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)C(C)(C)C[NH3+])C1 ZINC000571925936 387199702 /nfs/dbraw/zinc/19/97/02/387199702.db2.gz GECLJVVRVHDRKD-SNVBAGLBSA-N 2 0 227.352 0.429 20 0 BCADRP C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000643500246 387310489 /nfs/dbraw/zinc/31/04/89/387310489.db2.gz YMRAQBWWJAHOPE-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000643500245 387310674 /nfs/dbraw/zinc/31/06/74/387310674.db2.gz YMRAQBWWJAHOPE-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H](CC1CCC1)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000643500253 387311349 /nfs/dbraw/zinc/31/13/49/387311349.db2.gz ZUFJXOGRFPPWMF-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@H+]1C[C@H](N[C@H]2C[NH2+]CCC2(F)F)[C@@H](C)C1 ZINC000423467328 387314825 /nfs/dbraw/zinc/31/48/25/387314825.db2.gz DQICVUHWZGEZHE-DCAQKATOSA-N 2 0 247.333 0.913 20 0 BCADRP [NH3+]CC1(CC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000423468267 387315825 /nfs/dbraw/zinc/31/58/25/387315825.db2.gz ZBZNPCARSYEYCF-NSHDSACASA-N 2 0 237.347 0.468 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423378701 387260657 /nfs/dbraw/zinc/26/06/57/387260657.db2.gz MQOIIVXBHODTLL-KKOKHZNYSA-N 2 0 211.353 0.667 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000372099014 387274297 /nfs/dbraw/zinc/27/42/97/387274297.db2.gz PZTXZLKKSMIIAH-JQWIXIFHSA-N 2 0 243.326 0.241 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000572245130 387279407 /nfs/dbraw/zinc/27/94/07/387279407.db2.gz PUAGKLVZLPGPIP-VIFPVBQESA-N 2 0 221.304 0.356 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000514940364 387317848 /nfs/dbraw/zinc/31/78/48/387317848.db2.gz SFDJSKCREATJPW-PWSUYJOCSA-N 2 0 227.352 0.620 20 0 BCADRP CC1([NH3+])CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000648120601 387281403 /nfs/dbraw/zinc/28/14/03/387281403.db2.gz IEYIHWDDQHSMAB-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423432601 387284736 /nfs/dbraw/zinc/28/47/36/387284736.db2.gz OPQVHAYGUCXCCW-SVBLFDIKSA-N 2 0 249.358 0.337 20 0 BCADRP CC[NH2+]CCC[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000643499231 387285780 /nfs/dbraw/zinc/28/57/80/387285780.db2.gz LOHAVVMUYDEGQL-VXGBXAGGSA-N 2 0 229.368 0.343 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000572240368 387285722 /nfs/dbraw/zinc/28/57/22/387285722.db2.gz DOWBVVPLUNFELD-JQWIXIFHSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000572240369 387286149 /nfs/dbraw/zinc/28/61/49/387286149.db2.gz DOWBVVPLUNFELD-PWSUYJOCSA-N 2 0 237.347 0.291 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000572243109 387286158 /nfs/dbraw/zinc/28/61/58/387286158.db2.gz MBYKMUJQKQGDAT-ZDUSSCGKSA-N 3 0 225.380 0.917 20 0 BCADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1(C)C ZINC000423439044 387288113 /nfs/dbraw/zinc/28/81/13/387288113.db2.gz SDFDERYQMNYRDQ-PQTSNVLCSA-N 2 0 224.348 0.853 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000514789788 387288615 /nfs/dbraw/zinc/28/86/15/387288615.db2.gz SLAVQAYVLWAXJM-DCAQKATOSA-N 2 0 227.352 0.556 20 0 BCADRP CC1(C)[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]2CCCO[C@H]21 ZINC000423442718 387293245 /nfs/dbraw/zinc/29/32/45/387293245.db2.gz VHBBRRSNZFPSGO-PQCBQTOFSA-N 2 0 236.359 0.997 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000514860703 387297683 /nfs/dbraw/zinc/29/76/83/387297683.db2.gz RSHHFTRIHQNWOF-WYUUTHIRSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)c1c[nH+]ccc1N(C)C ZINC000423452497 387299301 /nfs/dbraw/zinc/29/93/01/387299301.db2.gz JRFQYEYUUTVURY-VIFPVBQESA-N 2 0 236.319 0.472 20 0 BCADRP COCC[C@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423453104 387301292 /nfs/dbraw/zinc/30/12/92/387301292.db2.gz IVHIEWAJPITYDJ-LBELIVKGSA-N 2 0 224.348 0.999 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000258848039 387304051 /nfs/dbraw/zinc/30/40/51/387304051.db2.gz QWGDSSYVSLZVMQ-QWRGUYRKSA-N 2 0 227.352 0.381 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@@H]1CCCCC[NH2+]1)C1CC1 ZINC000372503944 387307627 /nfs/dbraw/zinc/30/76/27/387307627.db2.gz LFBIPUOUEJZZHV-WDEREUQCSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1C[C@H]1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352544923 387307882 /nfs/dbraw/zinc/30/78/82/387307882.db2.gz DTXXQYWTYBHUDE-FRRDWIJNSA-N 2 0 223.364 0.622 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H]1CCCC[NH2+]1 ZINC000643502089 387357269 /nfs/dbraw/zinc/35/72/69/387357269.db2.gz XFFOKQRVZSBIKP-UTUOFQBUSA-N 2 0 211.353 0.668 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000515299875 387361142 /nfs/dbraw/zinc/36/11/42/387361142.db2.gz NFHNWDSIMDPKHD-ZJUUUORDSA-N 2 0 245.392 0.325 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1NCCC[NH2+]C1CC1 ZINC000423533053 387362262 /nfs/dbraw/zinc/36/22/62/387362262.db2.gz WMQFHUKSALWMGR-ZYHUDNBSSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H](NC[C@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC000643502939 387365780 /nfs/dbraw/zinc/36/57/80/387365780.db2.gz VSRFKKGQDIFQNT-QJPTWQEYSA-N 2 0 211.353 0.859 20 0 BCADRP CCC[C@@H](C(=O)N[C@H](C)C[NH3+])[NH+](C)C ZINC000423539642 387366094 /nfs/dbraw/zinc/36/60/94/387366094.db2.gz PACNRPGATIYWPF-BDAKNGLRSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@@H](NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000643502944 387366668 /nfs/dbraw/zinc/36/66/68/387366668.db2.gz VSRFKKGQDIFQNT-WOPDTQHZSA-N 2 0 211.353 0.859 20 0 BCADRP CC[C@@H](NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]1 ZINC000423543980 387367510 /nfs/dbraw/zinc/36/75/10/387367510.db2.gz CASCHKNQZHBCDB-TUAOUCFPSA-N 2 0 227.352 0.095 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000373436589 387369418 /nfs/dbraw/zinc/36/94/18/387369418.db2.gz VPYIJVBYLCEIBE-JQWIXIFHSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546999 387369809 /nfs/dbraw/zinc/36/98/09/387369809.db2.gz ZWBCXAWOUQGCPV-YPMHNXCESA-N 2 0 223.364 0.884 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CCCC[NH2+]C1 ZINC000423547943 387370176 /nfs/dbraw/zinc/37/01/76/387370176.db2.gz GHUJEMJDMKZUFD-UTUOFQBUSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H](N[C@@H]1CCCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423552390 387372028 /nfs/dbraw/zinc/37/20/28/387372028.db2.gz JVLBCMVZHPALMA-QJPTWQEYSA-N 2 0 211.353 0.859 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCC(N)=O ZINC000360953420 387372613 /nfs/dbraw/zinc/37/26/13/387372613.db2.gz AKEDMSACQILMRB-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](C[C@H]1COCC[NH2+]1)N[C@H]1CCCC[NH2+]C1 ZINC000423553605 387373737 /nfs/dbraw/zinc/37/37/37/387373737.db2.gz KNVFCNGXGWRXET-AGIUHOORSA-N 2 0 241.379 0.485 20 0 BCADRP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1CCCC[NH2+]C1 ZINC000423553607 387373949 /nfs/dbraw/zinc/37/39/49/387373949.db2.gz KNVFCNGXGWRXET-JHJVBQTASA-N 2 0 241.379 0.485 20 0 BCADRP C[C@]1(C(=O)N2CCC[C@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000237748692 387377789 /nfs/dbraw/zinc/37/77/89/387377789.db2.gz IAPLDIFXULNWMV-DGCLKSJQSA-N 2 0 239.363 0.716 20 0 BCADRP CC1(C)NC(=O)CC[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423565727 387378210 /nfs/dbraw/zinc/37/82/10/387378210.db2.gz TVCMOEZKNMDWES-LLVKDONJSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423563244 387378242 /nfs/dbraw/zinc/37/82/42/387378242.db2.gz WZSXJZRNKWHEHF-RGDJUOJXSA-N 2 0 237.391 0.962 20 0 BCADRP O=C(C1C[NH2+]C1)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000373564301 387380182 /nfs/dbraw/zinc/38/01/82/387380182.db2.gz XXVDLKHZLIIQIA-ZYHUDNBSSA-N 2 0 237.347 0.196 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000373562856 387380306 /nfs/dbraw/zinc/38/03/06/387380306.db2.gz SGDIQZOWZACERJ-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]1C(=O)NCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000396672022 387382033 /nfs/dbraw/zinc/38/20/33/387382033.db2.gz RTEUDFRQKHRXLM-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000423483936 387328684 /nfs/dbraw/zinc/32/86/84/387328684.db2.gz QKBRMYKUCWYJJP-GUBZILKMSA-N 2 0 233.306 0.701 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000372896944 387333952 /nfs/dbraw/zinc/33/39/52/387333952.db2.gz HZOVTWVBGAQITJ-WISYIIOYSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)[NH2+]CCCN[C@H]1C[NH2+]CC[C@H]1C ZINC000572354557 387341710 /nfs/dbraw/zinc/34/17/10/387341710.db2.gz DJNBGLWCVBSCGB-NEPJUHHUSA-N 2 0 213.369 0.962 20 0 BCADRP CC(C)[NH2+]CCCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000572354558 387341839 /nfs/dbraw/zinc/34/18/39/387341839.db2.gz DJNBGLWCVBSCGB-NWDGAFQWSA-N 2 0 213.369 0.962 20 0 BCADRP CC(C)[C@@H](C(=O)NCC1([NH3+])CCC1)[C@H](C)[NH3+] ZINC000423502525 387343577 /nfs/dbraw/zinc/34/35/77/387343577.db2.gz CTWPRDWIGJHJHG-VHSXEESVSA-N 2 0 227.352 0.603 20 0 BCADRP CCC[C@@H](C(=O)N[C@H](C)CC[NH3+])[NH+](C)C ZINC000423509475 387344673 /nfs/dbraw/zinc/34/46/73/387344673.db2.gz JTALLJGODCXGMZ-ZJUUUORDSA-N 2 0 215.341 0.570 20 0 BCADRP CC(C)[C@@H](C(=O)NCC[C@H]1CCC[NH2+]1)[C@@H](C)[NH3+] ZINC000423584921 387383637 /nfs/dbraw/zinc/38/36/37/387383637.db2.gz SMNZFEYEMMCXHR-IJLUTSLNSA-N 2 0 241.379 0.864 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](C)C[NH3+] ZINC000515223185 387347516 /nfs/dbraw/zinc/34/75/16/387347516.db2.gz JMQLBSCSWFHZNL-QWRGUYRKSA-N 2 0 242.367 0.317 20 0 BCADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C[NH3+] ZINC000423792180 387427461 /nfs/dbraw/zinc/42/74/61/387427461.db2.gz CXQSTKBDSZCFBM-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000643469709 387428703 /nfs/dbraw/zinc/42/87/03/387428703.db2.gz BXYUYBBORNZXAH-ZYHUDNBSSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000423825093 387431809 /nfs/dbraw/zinc/43/18/09/387431809.db2.gz WYJHSIPILHLBRS-NEPJUHHUSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000423825098 387432672 /nfs/dbraw/zinc/43/26/72/387432672.db2.gz WYJHSIPILHLBRS-VXGBXAGGSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423848659 387433436 /nfs/dbraw/zinc/43/34/36/387433436.db2.gz OIFNUKBAQVDKPH-NSHDSACASA-N 2 0 227.352 0.522 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000648124288 387435569 /nfs/dbraw/zinc/43/55/69/387435569.db2.gz WROSQGYVRICSQO-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418400281 387443116 /nfs/dbraw/zinc/44/31/16/387443116.db2.gz MCECNNCYOXKSNM-SNVBAGLBSA-N 2 0 242.367 0.363 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000423893729 387445824 /nfs/dbraw/zinc/44/58/24/387445824.db2.gz ATDBXJKZAYBNOQ-SRVKXCTJSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH+](C)CC1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000304207806 387447533 /nfs/dbraw/zinc/44/75/33/387447533.db2.gz DHCXZLSCHUZIMS-NEPJUHHUSA-N 2 0 228.336 0.020 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000374468333 387456459 /nfs/dbraw/zinc/45/64/59/387456459.db2.gz HRBNKPODQBGILX-KXNHARMFSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000374468334 387456636 /nfs/dbraw/zinc/45/66/36/387456636.db2.gz HRBNKPODQBGILX-QCNOEVLYSA-N 2 0 237.347 0.467 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000423957779 387458109 /nfs/dbraw/zinc/45/81/09/387458109.db2.gz PUIYXGRFZOVWDT-JTQLQIEISA-N 2 0 229.368 0.818 20 0 BCADRP CCC[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH+](C)C ZINC000423592427 387385229 /nfs/dbraw/zinc/38/52/29/387385229.db2.gz KPXRSGSWQOWPPL-IJLUTSLNSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]CCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000572401561 387387053 /nfs/dbraw/zinc/38/70/53/387387053.db2.gz PKIGDGKBWHAWDK-UHFFFAOYSA-N 2 0 219.288 0.239 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000423633907 387389636 /nfs/dbraw/zinc/38/96/36/387389636.db2.gz MGYHHZCOIODJCE-FOGDFJRCSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CC[NH2+]C1CC1 ZINC000515498112 387391097 /nfs/dbraw/zinc/39/10/97/387391097.db2.gz DSKOWZYGJRGLJY-NRUUGDAUSA-N 2 0 239.363 0.631 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CC1(C[NH3+])CC1 ZINC000423976047 387460015 /nfs/dbraw/zinc/46/00/15/387460015.db2.gz FHRAGUIKDMDHTL-SECBINFHSA-N 2 0 227.352 0.605 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000423657231 387392443 /nfs/dbraw/zinc/39/24/43/387392443.db2.gz YJOOPUCGRFTBGK-VHSXEESVSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)[C@H](C)[NH3+] ZINC000423679128 387394900 /nfs/dbraw/zinc/39/49/00/387394900.db2.gz LPVIHGSMUTWXGF-DTWKUNHWSA-N 2 0 236.319 0.613 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)c1c[nH+]ccc1N(C)C ZINC000423674559 387395052 /nfs/dbraw/zinc/39/50/52/387395052.db2.gz GXMNHGMFJNNRLM-SECBINFHSA-N 2 0 236.319 0.615 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC000423679640 387397313 /nfs/dbraw/zinc/39/73/13/387397313.db2.gz MEAGHUGWCOLTRT-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000373862289 387398507 /nfs/dbraw/zinc/39/85/07/387398507.db2.gz HCRHBVPDVHNOPA-DMDPSCGWSA-N 2 0 237.347 0.183 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000373865418 387400343 /nfs/dbraw/zinc/40/03/43/387400343.db2.gz ZLGZCDNOAMZUPW-HOSYDEDBSA-N 2 0 225.336 0.230 20 0 BCADRP CC1(C(=O)NCCC[C@H]2CCC[NH2+]2)C[NH2+]C1 ZINC000423703790 387400572 /nfs/dbraw/zinc/40/05/72/387400572.db2.gz KNJZDZCLPCCDJI-SNVBAGLBSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000373890297 387401355 /nfs/dbraw/zinc/40/13/55/387401355.db2.gz DGPMESYHDJSXHO-SRVKXCTJSA-N 2 0 239.363 0.775 20 0 BCADRP C1[NH2+]CC1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000515634024 387405309 /nfs/dbraw/zinc/40/53/09/387405309.db2.gz DESRAQCQEPEDAT-SDDRHHMPSA-N 2 0 209.337 0.469 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)C[NH3+] ZINC000423751952 387409024 /nfs/dbraw/zinc/40/90/24/387409024.db2.gz AIDYCFYVTASSIP-MNOVXSKESA-N 2 0 229.368 0.818 20 0 BCADRP CC[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361183999 387413159 /nfs/dbraw/zinc/41/31/59/387413159.db2.gz IFSBFPZPGZIWMU-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000423771454 387421157 /nfs/dbraw/zinc/42/11/57/387421157.db2.gz INOYVBUXIONBEA-SRVKXCTJSA-N 2 0 241.379 0.768 20 0 BCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CC[NH2+]1 ZINC000336597646 387421897 /nfs/dbraw/zinc/42/18/97/387421897.db2.gz BHTGLECZQCPJDS-GHMZBOCLSA-N 2 0 225.336 0.149 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C[NH2+]C ZINC000423775930 387422092 /nfs/dbraw/zinc/42/20/92/387422092.db2.gz PTTKCUKFDOBMIJ-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000336598197 387422283 /nfs/dbraw/zinc/42/22/83/387422283.db2.gz SCOAHHPYKMVWLM-MNOVXSKESA-N 2 0 239.363 0.701 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@@H]1CN(C)CCO1 ZINC000643474868 387497053 /nfs/dbraw/zinc/49/70/53/387497053.db2.gz JHUOIQPTGFTRMB-AGIUHOORSA-N 2 0 243.395 0.813 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000355314067 387517328 /nfs/dbraw/zinc/51/73/28/387517328.db2.gz GXDRECCXFNTQMO-LLVKDONJSA-N 2 0 227.352 0.348 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000355327459 387521430 /nfs/dbraw/zinc/52/14/30/387521430.db2.gz WUJWOIREXRFEFK-NEPJUHHUSA-N 2 0 230.352 0.267 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000162093011 387462791 /nfs/dbraw/zinc/46/27/91/387462791.db2.gz WVCICWAOFKSLMS-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH+](CC)CC(=O)NC(C)(C)CC[NH3+] ZINC000424046300 387469944 /nfs/dbraw/zinc/46/99/44/387469944.db2.gz KTGLNUDCXGNIDR-UHFFFAOYSA-N 2 0 215.341 0.572 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CC[NH2+]C3)C[C@@H]21 ZINC000374628331 387474019 /nfs/dbraw/zinc/47/40/19/387474019.db2.gz FRIDYVPQLJRCOP-WHOHXGKFSA-N 2 0 237.347 0.182 20 0 BCADRP CC(C)(C)[C@H](O)C[NH2+]CC1CC[NH2+]CC1 ZINC000324624451 387475954 /nfs/dbraw/zinc/47/59/54/387475954.db2.gz QPLDSEDEDHUAOC-LLVKDONJSA-N 2 0 214.353 0.983 20 0 BCADRP CC(C)(C)[C@@H](O)C[NH2+]CC1CC[NH2+]CC1 ZINC000324624452 387476680 /nfs/dbraw/zinc/47/66/80/387476680.db2.gz QPLDSEDEDHUAOC-NSHDSACASA-N 2 0 214.353 0.983 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000424077908 387480469 /nfs/dbraw/zinc/48/04/69/387480469.db2.gz PSXPPBPATWNJDK-GFCCVEGCSA-N 2 0 247.342 0.903 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NCC[NH2+]C1CC1 ZINC000643508267 387481852 /nfs/dbraw/zinc/48/18/52/387481852.db2.gz ZRZNJFHQZKCTOJ-PWSUYJOCSA-N 2 0 211.353 0.846 20 0 BCADRP Cn1nncc1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000375776235 387581794 /nfs/dbraw/zinc/58/17/94/387581794.db2.gz GBAAWZIXYWVJQS-NSHDSACASA-N 2 0 237.351 0.731 20 0 BCADRP CCOC[C@H](O)C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000362182207 387581857 /nfs/dbraw/zinc/58/18/57/387581857.db2.gz BZJZNMKJNIJSRW-YNEHKIRRSA-N 2 0 244.379 0.798 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000238032095 387591284 /nfs/dbraw/zinc/59/12/84/387591284.db2.gz NXOCPYMZDNRGKY-VXGBXAGGSA-N 2 0 239.363 0.701 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000238032491 387591625 /nfs/dbraw/zinc/59/16/25/387591625.db2.gz NXOCPYMZDNRGKY-RYUDHWBXSA-N 2 0 239.363 0.701 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000422541424 387596678 /nfs/dbraw/zinc/59/66/78/387596678.db2.gz OFUHMAJZSURALS-MNOVXSKESA-N 2 0 227.352 0.748 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422538814 387596760 /nfs/dbraw/zinc/59/67/60/387596760.db2.gz JCIBEFMNZDGYDL-KXNHARMFSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)C[C@@]1(C)C[NH3+] ZINC000422542972 387597135 /nfs/dbraw/zinc/59/71/35/387597135.db2.gz RGDMFEOBBGLQEU-IRUJWGPZSA-N 2 0 239.363 0.557 20 0 BCADRP C[NH2+]CC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422541075 387597415 /nfs/dbraw/zinc/59/74/15/387597415.db2.gz NIOAFTHCXGPQKH-GUBZILKMSA-N 2 0 213.325 0.038 20 0 BCADRP CC[NH2+]CCNC(=O)NC(C)(C)CC[NH3+] ZINC000422605711 387605119 /nfs/dbraw/zinc/60/51/19/387605119.db2.gz GVFJWULVCUTEKW-UHFFFAOYSA-N 2 0 216.329 0.023 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NC(C)(C)CC[NH3+] ZINC000422604295 387606292 /nfs/dbraw/zinc/60/62/92/387606292.db2.gz BLBAERXMIJLROP-VIFPVBQESA-N 2 0 230.356 0.396 20 0 BCADRP C[C@@H](NC(=O)N(C)C[C@H]1CCC[N@@H+]1C)[C@H](C)[NH3+] ZINC000422614234 387607157 /nfs/dbraw/zinc/60/71/57/387607157.db2.gz YEZOJDCKNGPBPG-HBNTYKKESA-N 2 0 242.367 0.458 20 0 BCADRP C[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)[C@H](C)[NH3+] ZINC000422614231 387607240 /nfs/dbraw/zinc/60/72/40/387607240.db2.gz YEZOJDCKNGPBPG-AXFHLTTASA-N 2 0 242.367 0.458 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422610836 387607676 /nfs/dbraw/zinc/60/76/76/387607676.db2.gz QWPONOHWQKLKKO-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH+](C)C ZINC000362492862 387617889 /nfs/dbraw/zinc/61/78/89/387617889.db2.gz PWDWYHKYHHFDCT-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP CN(CC[NH2+][C@H]1CCC[C@@H]1[NH3+])CC(F)(F)F ZINC000422702244 387618592 /nfs/dbraw/zinc/61/85/92/387618592.db2.gz DPVPSBKRJROYRX-IUCAKERBSA-N 2 0 239.285 0.950 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN1CCOC[C@H]1C ZINC000422707525 387620045 /nfs/dbraw/zinc/62/00/45/387620045.db2.gz AHJPGZFMZGQCCL-SDDRHHMPSA-N 2 0 229.368 0.423 20 0 BCADRP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422712258 387626322 /nfs/dbraw/zinc/62/63/22/387626322.db2.gz NUDKDOZLQUYEDE-FRRDWIJNSA-N 2 0 241.379 0.567 20 0 BCADRP CC(=O)N1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000124633593 387626707 /nfs/dbraw/zinc/62/67/07/387626707.db2.gz IQZCUZOCADEBAA-ZDUSSCGKSA-N 2 0 239.363 0.635 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)[C@@H](C)[NH3+] ZINC000399640659 387563424 /nfs/dbraw/zinc/56/34/24/387563424.db2.gz KCBGKNDBRBCNHM-WOPDTQHZSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000038042303 387570344 /nfs/dbraw/zinc/57/03/44/387570344.db2.gz LHAWLSLQGXWFNE-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP CCC[C@@H](C(=O)N1CC[C@H]([NH2+]C)C1)[NH+](C)C ZINC000422714033 387627748 /nfs/dbraw/zinc/62/77/48/387627748.db2.gz QLXIZUPYBYSFSP-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP CCC[C@@H](C(=O)N1CC[C@@H]([NH2+]C)C1)[NH+](C)C ZINC000422714032 387627961 /nfs/dbraw/zinc/62/79/61/387627961.db2.gz QLXIZUPYBYSFSP-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H](C)C[NH3+])cc1 ZINC000430605516 387633503 /nfs/dbraw/zinc/63/35/03/387633503.db2.gz RKQXQCSAQPNOEX-PWSUYJOCSA-N 2 0 235.331 0.706 20 0 BCADRP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000430644631 387634965 /nfs/dbraw/zinc/63/49/65/387634965.db2.gz ABIOHQZZUBQGHS-NSHDSACASA-N 2 0 241.379 0.912 20 0 BCADRP CCCCNC(=O)CC[NH+]1CCC(C[NH3+])CC1 ZINC000430638550 387636476 /nfs/dbraw/zinc/63/64/76/387636476.db2.gz NQHOEETUSBTUCQ-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@H](CN[C@H]1CCC[C@@H]1[NH3+])[N@H+](C)C1CC1 ZINC000422738356 387646377 /nfs/dbraw/zinc/64/63/77/387646377.db2.gz JOIBROQQBKTSFF-USWWRNFRSA-N 2 0 211.353 0.939 20 0 BCADRP C[C@H](CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000422738551 387646808 /nfs/dbraw/zinc/64/68/08/387646808.db2.gz JUDKAJANJKNELR-RAIGVLPGSA-N 2 0 241.379 0.293 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000422746168 387650882 /nfs/dbraw/zinc/65/08/82/387650882.db2.gz WBVXXFJVAAEFJY-HBNTYKKESA-N 2 0 211.353 0.939 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH3+])C[C@@H]1C ZINC000430795858 387652005 /nfs/dbraw/zinc/65/20/05/387652005.db2.gz IMXCEHWTVWYABR-DCAQKATOSA-N 2 0 227.352 0.665 20 0 BCADRP C[C@H]([C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+])N1CCOCC1 ZINC000422747969 387654218 /nfs/dbraw/zinc/65/42/18/387654218.db2.gz ZZPDKEWRXBVXFB-ZDEQEGDKSA-N 2 0 243.395 0.811 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH3+])C[C@@H]1C ZINC000430803585 387654492 /nfs/dbraw/zinc/65/44/92/387654492.db2.gz VMHHSFZWILSKJN-QWRGUYRKSA-N 2 0 227.352 0.666 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH3+])[C@H](C)C1 ZINC000430802952 387655036 /nfs/dbraw/zinc/65/50/36/387655036.db2.gz PFISQAIHJLOXSU-GMTAPVOTSA-N 2 0 227.352 0.522 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000362770827 387658169 /nfs/dbraw/zinc/65/81/69/387658169.db2.gz VHGPEADBUHYNEG-MNOVXSKESA-N 2 0 227.352 0.252 20 0 BCADRP CC[N@H+](CCNC(=O)CCC[NH2+]C)C(C)C ZINC000430889843 387659281 /nfs/dbraw/zinc/65/92/81/387659281.db2.gz NCNNFCMRPGOEOC-UHFFFAOYSA-N 2 0 229.368 0.833 20 0 BCADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C[NH3+] ZINC000430891296 387659600 /nfs/dbraw/zinc/65/96/00/387659600.db2.gz YPHQHRORWWOOHB-AOOOYVTPSA-N 2 0 213.325 0.324 20 0 BCADRP CC[N@H+](CCNC(=O)C[NH2+]CC1CC1)C(C)C ZINC000430903876 387659681 /nfs/dbraw/zinc/65/96/81/387659681.db2.gz MEAJSYMQPMOABM-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C[NH3+] ZINC000430891298 387659802 /nfs/dbraw/zinc/65/98/02/387659802.db2.gz YPHQHRORWWOOHB-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]1C[N@H+](CCCN2CCOCC2)CC[C@@H]1[NH3+] ZINC000430919576 387661331 /nfs/dbraw/zinc/66/13/31/387661331.db2.gz LRJNCNGQJAOXFF-OLZOCXBDSA-N 2 0 241.379 0.378 20 0 BCADRP CCCCNC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430968667 387666657 /nfs/dbraw/zinc/66/66/57/387666657.db2.gz ATTUKYNWUPOYQR-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(C)(C)C[NH3+] ZINC000431019070 387669820 /nfs/dbraw/zinc/66/98/20/387669820.db2.gz KPMGYJUXPFQRJC-MWLCHTKSSA-N 2 0 239.363 0.570 20 0 BCADRP CCC[C@H](C(=O)NC[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000422770423 387670930 /nfs/dbraw/zinc/67/09/30/387670930.db2.gz WPBPBZRWVQOUMI-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000431021691 387671029 /nfs/dbraw/zinc/67/10/29/387671029.db2.gz ARYGVWRYDLLVTK-INTQDDNPSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C[NH3+])C1 ZINC000431062285 387674317 /nfs/dbraw/zinc/67/43/17/387674317.db2.gz OWVPERCRURIVJY-WCQYABFASA-N 2 0 247.342 0.897 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000422792727 387696283 /nfs/dbraw/zinc/69/62/83/387696283.db2.gz WEUMUKUQYJENGO-UWVGGRQHSA-N 2 0 215.341 0.332 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000376984486 387682756 /nfs/dbraw/zinc/68/27/56/387682756.db2.gz ASDVNDMLVNVENC-CMPLNLGQSA-N 2 0 227.352 0.762 20 0 BCADRP CC[N@H+](CCN[C@@H](C)C1C[NH2+]C1)C(C)C ZINC000422879551 387756190 /nfs/dbraw/zinc/75/61/90/387756190.db2.gz MLYQFCFELZRMTF-NSHDSACASA-N 2 0 213.369 0.914 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000377749616 387745999 /nfs/dbraw/zinc/74/59/99/387745999.db2.gz WNAIHSWHWKSMEN-DCAQKATOSA-N 2 0 225.336 0.182 20 0 BCADRP CCC[C@H](C(=O)N[C@H](C[NH3+])C1CC1)[NH+](C)C ZINC000422865263 387747822 /nfs/dbraw/zinc/74/78/22/387747822.db2.gz XLVSDCZOHGKGOP-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422871843 387748602 /nfs/dbraw/zinc/74/86/02/387748602.db2.gz ZUFQTKIMYPIRBR-UPJWGTAASA-N 3 0 243.395 0.813 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1CC[NH2+]C1 ZINC000422871526 387749144 /nfs/dbraw/zinc/74/91/44/387749144.db2.gz DABCFPYVAVJJSH-JFGNBEQYSA-N 2 0 209.337 0.421 20 0 BCADRP O=C(C1C[NH2+]C1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000367811727 387754626 /nfs/dbraw/zinc/75/46/26/387754626.db2.gz VJVQCEKBSSDBPS-RWMBFGLXSA-N 2 0 249.358 0.149 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CCC[C@@H]1[NH3+] ZINC000422876876 387754730 /nfs/dbraw/zinc/75/47/30/387754730.db2.gz QVUUYRYAZREPTG-IXOXFDKPSA-N 2 0 223.364 0.939 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1NCC[NH+]1CCCCC1 ZINC000422801813 387701748 /nfs/dbraw/zinc/70/17/48/387701748.db2.gz AQLFUHMSHFTCML-VXGBXAGGSA-N 2 0 211.353 0.942 20 0 BCADRP COC[C@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000127115745 387706424 /nfs/dbraw/zinc/70/64/24/387706424.db2.gz NYTBWTGFXRODNW-CHWSQXEVSA-N 2 0 244.379 0.800 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CC1CC[NH2+]CC1 ZINC000237574900 387711506 /nfs/dbraw/zinc/71/15/06/387711506.db2.gz HRLXSEWEJMNBSS-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1CN(C(=O)CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000237574783 387711670 /nfs/dbraw/zinc/71/16/70/387711670.db2.gz ZFPSPGQJYVKKRB-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000629613986 387712727 /nfs/dbraw/zinc/71/27/27/387712727.db2.gz UOFGBQLAVSEDCT-GMTAPVOTSA-N 2 0 227.352 0.713 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@@H]([NH3+])C(C)C ZINC000157025051 387713296 /nfs/dbraw/zinc/71/32/96/387713296.db2.gz SSBCDOYMZYQBLG-SNVBAGLBSA-N 2 0 215.341 0.428 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424141707 387719775 /nfs/dbraw/zinc/71/97/75/387719775.db2.gz HNRVIEZCEUACAB-UTUOFQBUSA-N 2 0 239.363 0.524 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[NH2+][C@H](C)C1)[C@H](C)[NH3+] ZINC000422832788 387725493 /nfs/dbraw/zinc/72/54/93/387725493.db2.gz FYKASYDBYVBKKS-VWYCJHECSA-N 2 0 227.352 0.426 20 0 BCADRP CC[C@H](COC)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000127773690 387726578 /nfs/dbraw/zinc/72/65/78/387726578.db2.gz QJGUEQVBHQFDAU-QWHCGFSZSA-N 2 0 243.395 0.637 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000377561361 387727873 /nfs/dbraw/zinc/72/78/73/387727873.db2.gz HHEMNJKRJVMOOC-WISYIIOYSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCn2cccn2)CC[N@@H+]1C ZINC000128006544 387732221 /nfs/dbraw/zinc/73/22/21/387732221.db2.gz KVBPCEXVAZSMFN-VXGBXAGGSA-N 2 0 222.336 0.955 20 0 BCADRP CCC[C@@H](C(=O)N1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000422841654 387733177 /nfs/dbraw/zinc/73/31/77/387733177.db2.gz WKGTXAWPENGWID-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP CCC[C@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[NH+](C)C ZINC000422843120 387733190 /nfs/dbraw/zinc/73/31/90/387733190.db2.gz HCNMOAPVLULSNA-GRYCIOLGSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000422848609 387735415 /nfs/dbraw/zinc/73/54/15/387735415.db2.gz AXYINMFMNVBZLU-VWYCJHECSA-N 2 0 209.337 0.563 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C12CCC[NH+]1CCC2 ZINC000422847680 387735972 /nfs/dbraw/zinc/73/59/72/387735972.db2.gz IRXVWVSFNJRQMD-NSHDSACASA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000367648886 387738994 /nfs/dbraw/zinc/73/89/94/387738994.db2.gz NKUKNDDRCNHVEM-VHSXEESVSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000157121056 387742378 /nfs/dbraw/zinc/74/23/78/387742378.db2.gz PQEHNSGYEGYAFQ-MNOVXSKESA-N 2 0 229.368 0.672 20 0 BCADRP COCC[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422890341 387763853 /nfs/dbraw/zinc/76/38/53/387763853.db2.gz RSRNZORJSDVXEV-RWMBFGLXSA-N 2 0 241.379 0.295 20 0 BCADRP COC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000129146071 387764787 /nfs/dbraw/zinc/76/47/87/387764787.db2.gz HCXAGAROAJLFSV-NEPJUHHUSA-N 2 0 240.347 0.966 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])C(C)(C)C[NH+](C)C ZINC000424145409 387765067 /nfs/dbraw/zinc/76/50/67/387765067.db2.gz NMQZZCINGDDDPK-BBBLOLIVSA-N 2 0 227.352 0.426 20 0 BCADRP COCC[N@H+](C)CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422904537 387767797 /nfs/dbraw/zinc/76/77/97/387767797.db2.gz GXMACHKFKSENJC-NEPJUHHUSA-N 2 0 229.368 0.152 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000441623568 387770620 /nfs/dbraw/zinc/77/06/20/387770620.db2.gz IADMRQLDLUTYBY-UTUOFQBUSA-N 2 0 241.379 0.995 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000378204361 387771816 /nfs/dbraw/zinc/77/18/16/387771816.db2.gz UFYSANOYWDWZKA-GFCCVEGCSA-N 2 0 243.326 0.146 20 0 BCADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422914401 387771881 /nfs/dbraw/zinc/77/18/81/387771881.db2.gz UABNHEPFSWZRCE-QWHCGFSZSA-N 2 0 247.342 0.886 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000441619187 387772149 /nfs/dbraw/zinc/77/21/49/387772149.db2.gz ZLRPFXZTKNFSPB-VWYCJHECSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000441626728 387772775 /nfs/dbraw/zinc/77/27/75/387772775.db2.gz JHBMYABFDCWNIX-JQWIXIFHSA-N 2 0 235.331 0.267 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000422959360 387812186 /nfs/dbraw/zinc/81/21/86/387812186.db2.gz RSXXGXRIODSWRD-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@H](C(=O)NC[C@H](C)C[NH3+])[NH+](CC)CC ZINC000441628512 387773759 /nfs/dbraw/zinc/77/37/59/387773759.db2.gz RCEYBPQYVINNBZ-GHMZBOCLSA-N 2 0 229.368 0.818 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000422925210 387777724 /nfs/dbraw/zinc/77/77/24/387777724.db2.gz ZWQMWYRUUKJMJO-KKJSVHSVSA-N 2 0 239.363 0.711 20 0 BCADRP CC(C)N1C[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])CC1=O ZINC000422927215 387779920 /nfs/dbraw/zinc/77/99/20/387779920.db2.gz YKADLUQMUWJRPV-GARJFASQSA-N 2 0 227.352 0.711 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000433162628 387782096 /nfs/dbraw/zinc/78/20/96/387782096.db2.gz VDMGVNORAMDVOE-SRVKXCTJSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000527952685 387782856 /nfs/dbraw/zinc/78/28/56/387782856.db2.gz ISJJIZFMPZGUSE-VOAKCMCISA-N 2 0 242.363 0.456 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000378525274 387789626 /nfs/dbraw/zinc/78/96/26/387789626.db2.gz FBTNNAICTLHFNA-QWRGUYRKSA-N 2 0 239.363 0.809 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000309452913 387790295 /nfs/dbraw/zinc/79/02/95/387790295.db2.gz MYYQJIYFBMGOKO-BBBLOLIVSA-N 2 0 213.325 0.084 20 0 BCADRP CC[C@H](NC[C@H](O)C[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422980249 387790692 /nfs/dbraw/zinc/79/06/92/387790692.db2.gz OZBUHILMJAJWNB-SRVKXCTJSA-N 2 0 229.368 0.029 20 0 BCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424149859 387792852 /nfs/dbraw/zinc/79/28/52/387792852.db2.gz XROFWCITHIPHJQ-TUAOUCFPSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)NCC1([NH3+])CCCCC1 ZINC000418299333 387794957 /nfs/dbraw/zinc/79/49/57/387794957.db2.gz SEDLPLPKVHMNPU-JTQLQIEISA-N 2 0 242.367 0.685 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000193566439 387796158 /nfs/dbraw/zinc/79/61/58/387796158.db2.gz ALTKNOAHQHZACR-OUAUKWLOSA-N 2 0 225.336 0.385 20 0 BCADRP C[NH+](C)CC(=O)NCCC[NH+]1CCCC1 ZINC000442653488 387813060 /nfs/dbraw/zinc/81/30/60/387813060.db2.gz SOYAAOLHANSLTK-UHFFFAOYSA-N 2 0 213.325 0.150 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000432527712 387800099 /nfs/dbraw/zinc/80/00/99/387800099.db2.gz RGYIRXLHPYSHJW-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NCCC[NH2+]C ZINC000418302504 387805361 /nfs/dbraw/zinc/80/53/61/387805361.db2.gz BEVUHFBCIKRBDN-UHFFFAOYSA-N 2 0 230.356 0.413 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442621116 387808415 /nfs/dbraw/zinc/80/84/15/387808415.db2.gz OUGNHDVBTWGPMP-GFCCVEGCSA-N 2 0 241.379 0.914 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442605222 387808561 /nfs/dbraw/zinc/80/85/61/387808561.db2.gz ZXVXHHVYIKTQAF-NEPJUHHUSA-N 2 0 241.379 0.947 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442598801 387808663 /nfs/dbraw/zinc/80/86/63/387808663.db2.gz AUVFBAKZIGLTLJ-SRVKXCTJSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@@H]([NH2+]Cc1cncn1C)C(=O)NC(C)(C)C ZINC000134532191 387809487 /nfs/dbraw/zinc/80/94/87/387809487.db2.gz MUWOCKFMLXDBDN-SECBINFHSA-N 2 0 238.335 0.813 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CC(=O)N(C)C1 ZINC000422959363 387811440 /nfs/dbraw/zinc/81/14/40/387811440.db2.gz RSXXGXRIODSWRD-VWYCJHECSA-N 2 0 225.336 0.195 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@H]1C ZINC000424144276 387759553 /nfs/dbraw/zinc/75/95/53/387759553.db2.gz KYYKAPCSAGVKNZ-QCNOEVLYSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000422972576 387820585 /nfs/dbraw/zinc/82/05/85/387820585.db2.gz MGOJVPXEYFPPQV-AGIUHOORSA-N 2 0 241.379 0.031 20 0 BCADRP C[C@@H](NC[C@@H](O)C[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422973254 387820735 /nfs/dbraw/zinc/82/07/35/387820735.db2.gz BONYSBUMJWHZMV-UTUOFQBUSA-N 2 0 229.368 0.029 20 0 BCADRP C[C@H](CO)[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422972997 387821179 /nfs/dbraw/zinc/82/11/79/387821179.db2.gz NKOHLSXJTRPROM-NTZNESFSSA-N 2 0 222.332 0.915 20 0 BCADRP C[C@@H](NC[C@H](O)C[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422973247 387821360 /nfs/dbraw/zinc/82/13/60/387821360.db2.gz BONYSBUMJWHZMV-GRYCIOLGSA-N 2 0 229.368 0.029 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1c[nH]nc1C ZINC000629529886 387872893 /nfs/dbraw/zinc/87/28/93/387872893.db2.gz PHKJLINBDRJONV-VIFPVBQESA-N 2 0 226.324 0.605 20 0 BCADRP CC[C@H]([NH2+][C@@H](C)CCO)[C@@H]1CCC[NH2+]1 ZINC000422975238 387822676 /nfs/dbraw/zinc/82/26/76/387822676.db2.gz GGCZQBDQCAPAFE-DCAQKATOSA-N 2 0 200.326 0.878 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000528011679 387823589 /nfs/dbraw/zinc/82/35/89/387823589.db2.gz MSMLMFZCJXTTFN-PWSUYJOCSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537371 387874880 /nfs/dbraw/zinc/87/48/80/387874880.db2.gz GGAHJMNPXJNKJY-RCWTZXSCSA-N 2 0 215.316 0.226 20 0 BCADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H](C)CO ZINC000423005881 387828472 /nfs/dbraw/zinc/82/84/72/387828472.db2.gz NKOHLSXJTRPROM-DMDPSCGWSA-N 2 0 222.332 0.915 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442721965 387828946 /nfs/dbraw/zinc/82/89/46/387828946.db2.gz WSQLBLDFDIYSMB-WOPDTQHZSA-N 2 0 239.363 0.857 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000442715449 387829177 /nfs/dbraw/zinc/82/91/77/387829177.db2.gz MVHTUOURNHJYDB-JTQLQIEISA-N 2 0 229.368 0.947 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NCCOCC[NH+](C)C ZINC000423075739 387873227 /nfs/dbraw/zinc/87/32/27/387873227.db2.gz XSYFXSVQYJSBMQ-RYUDHWBXSA-N 2 0 229.368 0.152 20 0 BCADRP C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424158034 387833199 /nfs/dbraw/zinc/83/31/99/387833199.db2.gz QEVVQGINCCHEBD-MNOVXSKESA-N 2 0 225.336 0.182 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000442734532 387833329 /nfs/dbraw/zinc/83/33/29/387833329.db2.gz UEKFXZUHCKHSNJ-VWYCJHECSA-N 2 0 229.368 0.994 20 0 BCADRP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442777711 387837693 /nfs/dbraw/zinc/83/76/93/387837693.db2.gz JQWTVBFTJHGUDT-SRVKXCTJSA-N 2 0 241.379 0.911 20 0 BCADRP C[NH+](C)CCCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000058084401 387840392 /nfs/dbraw/zinc/84/03/92/387840392.db2.gz MKFNQCYYSUXBJW-UHFFFAOYSA-N 2 0 247.342 0.971 20 0 BCADRP CC(C)C(=O)NCCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423018839 387841372 /nfs/dbraw/zinc/84/13/72/387841372.db2.gz ZXVAHTOFTHOIAT-RYUDHWBXSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000645845695 387841457 /nfs/dbraw/zinc/84/14/57/387841457.db2.gz ALTKRZYWSWAXOQ-NSHDSACASA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1ccn(C)n1 ZINC000629529464 387873713 /nfs/dbraw/zinc/87/37/13/387873713.db2.gz DCDJRFMHGYWNSC-LLVKDONJSA-N 2 0 240.351 0.697 20 0 BCADRP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(=O)[nH]1 ZINC000423026108 387843055 /nfs/dbraw/zinc/84/30/55/387843055.db2.gz ALTCIUBREJFWKF-MWLCHTKSSA-N 2 0 236.319 0.708 20 0 BCADRP CC[C@@H]([NH2+]CCCn1ccnn1)[C@@H]1CCC[NH2+]1 ZINC000423028794 387845239 /nfs/dbraw/zinc/84/52/39/387845239.db2.gz HEBBFVYEZLQKFA-NEPJUHHUSA-N 2 0 237.351 0.788 20 0 BCADRP Cc1ncc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(=O)[nH]1 ZINC000423028809 387845540 /nfs/dbraw/zinc/84/55/40/387845540.db2.gz HEQVPAJUGKVQHZ-JGVFFNPUSA-N 2 0 224.308 0.706 20 0 BCADRP Cc1ncc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c(=O)[nH]1 ZINC000423028811 387847052 /nfs/dbraw/zinc/84/70/52/387847052.db2.gz HEQVPAJUGKVQHZ-YUMQZZPRSA-N 2 0 224.308 0.706 20 0 BCADRP C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423031680 387847371 /nfs/dbraw/zinc/84/73/71/387847371.db2.gz XNCIJNSMXMPAOG-WZRBSPASSA-N 2 0 222.332 0.915 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000433157329 387874049 /nfs/dbraw/zinc/87/40/49/387874049.db2.gz FPLGBNRNFDGJOF-VXGBXAGGSA-N 2 0 241.379 0.674 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(C)[C@H]1C ZINC000423037157 387851639 /nfs/dbraw/zinc/85/16/39/387851639.db2.gz VLGQJHAKZAGNLG-AVGNSLFASA-N 3 0 243.395 0.813 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(C)[C@@H]1C ZINC000423037156 387851933 /nfs/dbraw/zinc/85/19/33/387851933.db2.gz VLGQJHAKZAGNLG-AGIUHOORSA-N 3 0 243.395 0.813 20 0 BCADRP CCCNC(=O)[C@H](C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193634073 387858899 /nfs/dbraw/zinc/85/88/99/387858899.db2.gz SOTDLPHCWFSOJN-SDDRHHMPSA-N 2 0 239.363 0.395 20 0 BCADRP [NH3+]C1CC[NH+](CCCC(=O)NC2CCC2)CC1 ZINC000433122498 387864407 /nfs/dbraw/zinc/86/44/07/387864407.db2.gz QVRKFTRTUQLNCM-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@@H]1CCNCC1(F)F ZINC000424172279 387864454 /nfs/dbraw/zinc/86/44/54/387864454.db2.gz LLWKTJRRKZJYEN-YUMQZZPRSA-N 2 0 235.278 0.085 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000157710978 387866731 /nfs/dbraw/zinc/86/67/31/387866731.db2.gz GHFKCESTZHXXMK-ZJUUUORDSA-N 2 0 213.325 0.310 20 0 BCADRP CO[C@H](C)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423061901 387868456 /nfs/dbraw/zinc/86/84/56/387868456.db2.gz RWNLYSSEJXSWQK-AXFHLTTASA-N 2 0 200.326 0.999 20 0 BCADRP C[NH+](C)CC1CCC(NC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424173483 387871244 /nfs/dbraw/zinc/87/12/44/387871244.db2.gz DUTIYGCOKPXMFS-HCWSGVFWSA-N 2 0 239.363 0.570 20 0 BCADRP CCCCNC(=O)[C@H]1CCCN(C[C@@H](C)[NH3+])C1 ZINC000442659449 387813891 /nfs/dbraw/zinc/81/38/91/387813891.db2.gz KPHUXKYOXBFVOC-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP CC[C@@H]1CN(C[C@@H](C)[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000442654290 387814983 /nfs/dbraw/zinc/81/49/83/387814983.db2.gz AYDFZLNEGSLGPZ-GRYCIOLGSA-N 2 0 229.368 0.111 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)Cn1cccn1 ZINC000629529897 387872711 /nfs/dbraw/zinc/87/27/11/387872711.db2.gz PXAPVDPOLTZHMT-LLVKDONJSA-N 2 0 226.324 0.097 20 0 BCADRP CC(C)C(=O)NC[C@@H]1CCCN(C[C@H](C)[NH3+])C1 ZINC000442659135 387815084 /nfs/dbraw/zinc/81/50/84/387815084.db2.gz KJDHGZHDMOHEPE-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN(C[C@H](C)[NH3+])C1 ZINC000442665483 387817341 /nfs/dbraw/zinc/81/73/41/387817341.db2.gz MNQSNZJOJRYEBH-NWDGAFQWSA-N 2 0 213.369 0.997 20 0 BCADRP CC[NH2+]CCNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000418319445 387818476 /nfs/dbraw/zinc/81/84/76/387818476.db2.gz RARNIXYAFMQVHP-UHFFFAOYSA-N 2 0 230.356 0.222 20 0 BCADRP CN(C)CC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000444606663 387890096 /nfs/dbraw/zinc/89/00/96/387890096.db2.gz FPBCUHAQOGMAOD-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424180938 387893754 /nfs/dbraw/zinc/89/37/54/387893754.db2.gz QAUVUFKNZXGMLZ-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n(C)n1 ZINC000423113814 387896342 /nfs/dbraw/zinc/89/63/42/387896342.db2.gz ZGNSAPVATINXES-ZYHUDNBSSA-N 2 0 222.336 0.946 20 0 BCADRP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])n(C)n1 ZINC000423113811 387896483 /nfs/dbraw/zinc/89/64/83/387896483.db2.gz ZGNSAPVATINXES-CMPLNLGQSA-N 2 0 222.336 0.946 20 0 BCADRP CC[C@@H]1CN(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])CCO1 ZINC000423085076 387878100 /nfs/dbraw/zinc/87/81/00/387878100.db2.gz JGDUDHLDGJNAAU-JHJVBQTASA-N 2 0 243.395 0.813 20 0 BCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC[C@@H]21 ZINC000424175004 387878867 /nfs/dbraw/zinc/87/88/67/387878867.db2.gz OZJQLFCDHUBVBL-WYUUTHIRSA-N 2 0 237.347 0.276 20 0 BCADRP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000423082055 387879408 /nfs/dbraw/zinc/87/94/08/387879408.db2.gz CJDTXFNQDNRYHD-NNYUYHANSA-N 2 0 240.347 0.916 20 0 BCADRP CC[NH+](CC)[C@H](C)CN[C@H](C)C1C[NH2+]C1 ZINC000423085185 387879497 /nfs/dbraw/zinc/87/94/97/387879497.db2.gz JYOLEDNUTFXUIH-GHMZBOCLSA-N 2 0 213.369 0.914 20 0 BCADRP CC[C@@H]1CN(CC[NH2+][C@H]2CCC[C@H]2[NH3+])CCO1 ZINC000423086211 387881026 /nfs/dbraw/zinc/88/10/26/387881026.db2.gz LQHQNGCYGKSGKM-UPJWGTAASA-N 2 0 241.379 0.567 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000423141412 387919078 /nfs/dbraw/zinc/91/90/78/387919078.db2.gz PSHHTJNEIMWMLV-WXHSDQCUSA-N 2 0 226.364 0.983 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000236801973 387908089 /nfs/dbraw/zinc/90/80/89/387908089.db2.gz YZUNEVRJOLCLQY-LLVKDONJSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@@H]([NH2+]C[C@H](CO)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423134735 387912480 /nfs/dbraw/zinc/91/24/80/387912480.db2.gz FCBXHOUYAAVWBX-YUSALJHKSA-N 2 0 212.337 0.735 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236934538 387913605 /nfs/dbraw/zinc/91/36/05/387913605.db2.gz KBYNAYARIRUSBR-KJLIAQIISA-N 2 0 225.336 0.513 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@H](CO)CC1CCC1 ZINC000423136986 387914507 /nfs/dbraw/zinc/91/45/07/387914507.db2.gz VPZYBXGBZRTCMB-STQMWFEESA-N 2 0 244.379 0.881 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418343720 387914737 /nfs/dbraw/zinc/91/47/37/387914737.db2.gz APJQYTDMTIKSEQ-HBNTYKKESA-N 2 0 240.351 0.260 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000423141409 387917360 /nfs/dbraw/zinc/91/73/60/387917360.db2.gz PSHHTJNEIMWMLV-KGYLQXTDSA-N 2 0 226.364 0.983 20 0 BCADRP C[C@@]1(CNC(=O)N[C@@H]2CC[NH2+]C2)CCC[NH2+]C1 ZINC000418346776 387917524 /nfs/dbraw/zinc/91/75/24/387917524.db2.gz CTDPZLKURYEAOM-ZYHUDNBSSA-N 2 0 240.351 0.037 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424215828 387933118 /nfs/dbraw/zinc/93/31/18/387933118.db2.gz GWTMIWSCLKPBPR-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP COCC(COC)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423157245 387936237 /nfs/dbraw/zinc/93/62/37/387936237.db2.gz VBQHZOLHIAAHHT-UHFFFAOYSA-N 2 0 230.352 0.755 20 0 BCADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCCN1CCO ZINC000423144166 387921178 /nfs/dbraw/zinc/92/11/78/387921178.db2.gz GFFBCMLRKMNGDE-QWHCGFSZSA-N 2 0 243.395 0.550 20 0 BCADRP COC[C@](C)(O)CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423145558 387923138 /nfs/dbraw/zinc/92/31/38/387923138.db2.gz LHCVAPUITFHZBY-JHJVBQTASA-N 2 0 244.379 0.881 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCCC(=O)N(C)C)CC[N@@H+]1C ZINC000156143057 387923441 /nfs/dbraw/zinc/92/34/41/387923441.db2.gz HDBGXQMGCZRCNC-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP COC[C@](C)(O)CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423145557 387923696 /nfs/dbraw/zinc/92/36/96/387923696.db2.gz LHCVAPUITFHZBY-FRRDWIJNSA-N 2 0 244.379 0.881 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCCC(=O)N(C)C)CC[N@@H+]1C ZINC000156142815 387923897 /nfs/dbraw/zinc/92/38/97/387923897.db2.gz HDBGXQMGCZRCNC-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)CCCC[NH3+] ZINC000423149937 387927122 /nfs/dbraw/zinc/92/71/22/387927122.db2.gz BGLFPDLQNGJGGJ-IJLUTSLNSA-N 2 0 230.352 0.897 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)CC1CC[NH2+]CC1 ZINC000237938917 387927730 /nfs/dbraw/zinc/92/77/30/387927730.db2.gz ADQAPDMFROQFMA-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]C1(C(=O)NC[C@H]2CCC[NH2+]C2)CCCCC1 ZINC000237801152 387928167 /nfs/dbraw/zinc/92/81/67/387928167.db2.gz QYYDBJPUJINZCO-NSHDSACASA-N 2 0 239.363 0.764 20 0 BCADRP [NH3+][C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000237841548 387928340 /nfs/dbraw/zinc/92/83/40/387928340.db2.gz AIFUPRAHAZPEPW-VXGBXAGGSA-N 2 0 233.315 0.555 20 0 BCADRP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCC[NH2+]1 ZINC000237965183 387928977 /nfs/dbraw/zinc/92/89/77/387928977.db2.gz ZXNINIQQSCDDEC-AYLPWXGPSA-N 2 0 237.347 0.528 20 0 BCADRP C[C@@H](CN1CCOCC1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424289018 387952296 /nfs/dbraw/zinc/95/22/96/387952296.db2.gz LGALZKRWFAUBSS-YNEHKIRRSA-N 2 0 241.379 0.567 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000158222252 387939388 /nfs/dbraw/zinc/93/93/88/387939388.db2.gz DFSKYIZCDRDGMB-VXGBXAGGSA-N 2 0 249.358 0.970 20 0 BCADRP COCC[N@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000156222761 387943645 /nfs/dbraw/zinc/94/36/45/387943645.db2.gz RKWKSVBYEUNOLE-QWHCGFSZSA-N 2 0 243.395 0.637 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000645643192 387947873 /nfs/dbraw/zinc/94/78/73/387947873.db2.gz QQVKWUJXUNZADA-NSHDSACASA-N 2 0 248.330 0.030 20 0 BCADRP CC(C)([NH3+])CC(=O)NCCNc1cc[nH+]cc1 ZINC000645642889 387948475 /nfs/dbraw/zinc/94/84/75/387948475.db2.gz KYGANFAMBBZFOV-UHFFFAOYSA-N 2 0 236.319 0.159 20 0 BCADRP C[C@@H](CCC[NH3+])[NH2+]CCN1CC=CCC1 ZINC000392289025 387949107 /nfs/dbraw/zinc/94/91/07/387949107.db2.gz MRTDZZHAXJNWFQ-LBPRGKRZSA-N 2 0 211.353 0.965 20 0 BCADRP c1cn([C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)nn1 ZINC000424299240 387959129 /nfs/dbraw/zinc/95/91/29/387959129.db2.gz DTHREFWWLWHRTA-QWHCGFSZSA-N 2 0 249.362 0.915 20 0 BCADRP CC[N@H+]1C[C@H](NC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000423185896 387969385 /nfs/dbraw/zinc/96/93/85/387969385.db2.gz NUUPLMWZJGSOAO-JQWIXIFHSA-N 2 0 211.353 0.668 20 0 BCADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CCC[NH2+]C ZINC000423184011 387970001 /nfs/dbraw/zinc/97/00/01/387970001.db2.gz HFGJNFNMBZMTLV-NSHDSACASA-N 2 0 229.368 0.833 20 0 BCADRP COC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)C(C)C ZINC000423184987 387970020 /nfs/dbraw/zinc/97/00/20/387970020.db2.gz UJFAJSZHSVSATR-CYBMUJFWSA-N 2 0 243.395 0.542 20 0 BCADRP Cc1ccnc([C@H](C)[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000423200634 387988458 /nfs/dbraw/zinc/98/84/58/387988458.db2.gz GBHBBFVXHWVQBN-ZDUSSCGKSA-N 2 0 248.374 0.946 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000423210606 387995704 /nfs/dbraw/zinc/99/57/04/387995704.db2.gz KCDOZLWINMHELK-UTUOFQBUSA-N 2 0 211.353 0.526 20 0 BCADRP C[NH2+]CCCN[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423200328 387985236 /nfs/dbraw/zinc/98/52/36/387985236.db2.gz LVEBNANFCIWRAK-JQWIXIFHSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)[C@@H]1C[C@H]1C ZINC000423199753 387986232 /nfs/dbraw/zinc/98/62/32/387986232.db2.gz CMKJBOMYYXUYLS-GRYCIOLGSA-N 2 0 211.353 0.526 20 0 BCADRP C[NH2+]CCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000423200569 387986450 /nfs/dbraw/zinc/98/64/50/387986450.db2.gz MPOKJXITYDNHQT-SDDRHHMPSA-N 2 0 213.369 0.914 20 0 BCADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(O)c1 ZINC000423201393 387986972 /nfs/dbraw/zinc/98/69/72/387986972.db2.gz INXXLDOVYWGBGF-GFCCVEGCSA-N 2 0 249.358 0.948 20 0 BCADRP C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])[C@H]1CCC[NH2+]1 ZINC000424373258 387997221 /nfs/dbraw/zinc/99/72/21/387997221.db2.gz JGUQTMLMNJLIOI-IRCOFANPSA-N 2 0 211.353 0.986 20 0 BCADRP C[C@H](NC[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423215328 387998076 /nfs/dbraw/zinc/99/80/76/387998076.db2.gz QJWMBNUWWYDFLR-SDDRHHMPSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H](NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423215331 387998142 /nfs/dbraw/zinc/99/81/42/387998142.db2.gz QJWMBNUWWYDFLR-UTUOFQBUSA-N 2 0 211.353 0.716 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H]2CCC[NH2+]C2)C1 ZINC000423217484 387999287 /nfs/dbraw/zinc/99/92/87/387999287.db2.gz UGOFLYPCPCCUEY-YNEHKIRRSA-N 2 0 225.380 0.916 20 0 BCADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C2)[C@H]2CCC[C@@H]21 ZINC000423217921 387999635 /nfs/dbraw/zinc/99/96/35/387999635.db2.gz STSMDFUDXQTYRF-NDBYEHHHSA-N 2 0 223.364 0.811 20 0 BCADRP CC[N@H+]1C[C@H](NC[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000423217481 388000039 /nfs/dbraw/zinc/00/00/39/388000039.db2.gz UGOFLYPCPCCUEY-AVGNSLFASA-N 2 0 225.380 0.916 20 0 BCADRP C[C@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)[C@@H]1CCC[NH2+]1 ZINC000424382319 388001586 /nfs/dbraw/zinc/00/15/86/388001586.db2.gz SADYGJSRXQFUQZ-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000080999171 388005126 /nfs/dbraw/zinc/00/51/26/388005126.db2.gz QBZVZWCDDSMCDA-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+]CCC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889317 388005417 /nfs/dbraw/zinc/00/54/17/388005417.db2.gz CLBHVZZRDTZYDT-UHFFFAOYSA-N 2 0 245.286 0.815 20 0 BCADRP COCCN(C)CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000159356697 388009874 /nfs/dbraw/zinc/00/98/74/388009874.db2.gz OQQPITJIDSLWRF-OLZOCXBDSA-N 2 0 243.395 0.494 20 0 BCADRP C[C@]1(C[N@@H+]2CCC[C@H](n3ccnn3)C2)CC[NH2+]C1 ZINC000424371888 387996359 /nfs/dbraw/zinc/99/63/59/387996359.db2.gz VWWGONXHUCBQST-STQMWFEESA-N 2 0 249.362 0.915 20 0 BCADRP C[C@H](NC[C@H]1CCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000423241698 388023863 /nfs/dbraw/zinc/02/38/63/388023863.db2.gz VFTRVJCMGOJYQE-TUAOUCFPSA-N 2 0 211.353 0.859 20 0 BCADRP [NH3+]CCCCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424474771 388025551 /nfs/dbraw/zinc/02/55/51/388025551.db2.gz IVGROFOKCMIPLV-NXEZZACHSA-N 2 0 228.340 0.294 20 0 BCADRP C[NH2+]CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000423242928 388025850 /nfs/dbraw/zinc/02/58/50/388025850.db2.gz JQDKHFOXHBEUNR-TUAOUCFPSA-N 2 0 211.353 0.668 20 0 BCADRP CC[C@H](NC[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000423229350 388014730 /nfs/dbraw/zinc/01/47/30/388014730.db2.gz AYWPATMZDPNPCM-SRVKXCTJSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000082257313 388018457 /nfs/dbraw/zinc/01/84/57/388018457.db2.gz GCSYDVDWLNKTOC-UWVGGRQHSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC[NH2+]1 ZINC000446398309 388018529 /nfs/dbraw/zinc/01/85/29/388018529.db2.gz XNVNXIKOQHVCNL-DMDPSCGWSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000446400695 388018605 /nfs/dbraw/zinc/01/86/05/388018605.db2.gz NTZVMZSLBVTCPC-QJPTWQEYSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000082257312 388018994 /nfs/dbraw/zinc/01/89/94/388018994.db2.gz GCSYDVDWLNKTOC-NXEZZACHSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+]CC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000082257302 388019316 /nfs/dbraw/zinc/01/93/16/388019316.db2.gz NFPKQHZCQIFWOD-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP [NH3+]CCC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000082256152 388019888 /nfs/dbraw/zinc/01/98/88/388019888.db2.gz MZFZFYFQRIZMAD-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C[NH+](C)C ZINC000440261172 388036486 /nfs/dbraw/zinc/03/64/86/388036486.db2.gz RCLVYJSDPFIOBY-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254770 388036868 /nfs/dbraw/zinc/03/68/68/388036868.db2.gz ZJBAUUPREIVOLS-GRYCIOLGSA-N 2 0 211.353 0.526 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000082560022 388037512 /nfs/dbraw/zinc/03/75/12/388037512.db2.gz IFBOVORFKKXWRK-AGVGLQIMSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)C)CC[N@@H+]1C ZINC000648713604 388037966 /nfs/dbraw/zinc/03/79/66/388037966.db2.gz OLBOCOLURWTFIK-GHMZBOCLSA-N 2 0 227.352 0.395 20 0 BCADRP CCNC(=O)C[NH+]1CCC(C[NH2+]CC)CC1 ZINC000082645667 388038421 /nfs/dbraw/zinc/03/84/21/388038421.db2.gz DHCILXLLKKNZLO-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP CC(C)C[C@H](C[NH3+])N[C@H]1C[N@H+](C)C[C@H]1C ZINC000423262669 388040272 /nfs/dbraw/zinc/04/02/72/388040272.db2.gz NCRRWYYDAUMBJU-UTUOFQBUSA-N 2 0 213.369 0.900 20 0 BCADRP CC[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)[C@@H](O)C(F)F ZINC000453266007 388030469 /nfs/dbraw/zinc/03/04/69/388030469.db2.gz DTJQMMNIENDQDT-UTINFBMNSA-N 2 0 236.306 0.931 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000423273860 388053829 /nfs/dbraw/zinc/05/38/29/388053829.db2.gz LJHARLDLDJPFJF-XWLWVQCSSA-N 2 0 200.326 0.997 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](O)C2)[C@@H]2CCC[C@@H]21 ZINC000453376901 388063863 /nfs/dbraw/zinc/06/38/63/388063863.db2.gz VFTCRMUTVJAGGO-PPCPHDFISA-N 2 0 224.348 0.972 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](O)C2)[C@H]2CCC[C@@H]21 ZINC000453376884 388064475 /nfs/dbraw/zinc/06/44/75/388064475.db2.gz VFTCRMUTVJAGGO-FHUSYTEZSA-N 2 0 224.348 0.972 20 0 BCADRP C[NH+]1CCC(CCNC(=O)C(C)(C)[NH3+])CC1 ZINC000083911664 388066766 /nfs/dbraw/zinc/06/67/66/388066766.db2.gz RLDYCGKNBFOPNP-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH+]1CCC(CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000083911667 388067251 /nfs/dbraw/zinc/06/72/51/388067251.db2.gz IRBQUMJDIJNCIF-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H](C[NH3+])C1CC1 ZINC000423285485 388068785 /nfs/dbraw/zinc/06/87/85/388068785.db2.gz YFXVYQBXCNSFPF-OASPWFOLSA-N 2 0 223.364 0.796 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000447434869 388072096 /nfs/dbraw/zinc/07/20/96/388072096.db2.gz KALCOSHIPFDKOY-GWCFXTLKSA-N 2 0 235.331 0.572 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)CC1(C[NH3+])CC1 ZINC000423297267 388079099 /nfs/dbraw/zinc/07/90/99/388079099.db2.gz JODIRPAUAVAWNO-UHFFFAOYSA-N 2 0 241.379 0.819 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000237919819 388113136 /nfs/dbraw/zinc/11/31/36/388113136.db2.gz INUVMVXCANXLIV-OLZOCXBDSA-N 2 0 245.326 0.261 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423266600 388046507 /nfs/dbraw/zinc/04/65/07/388046507.db2.gz DKPLJLZOLLJIPQ-SDDRHHMPSA-N 3 0 213.369 0.820 20 0 BCADRP C[NH+](C)CCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000083369808 388049930 /nfs/dbraw/zinc/04/99/30/388049930.db2.gz RCXWDLWIIXLKPP-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000646197817 388163070 /nfs/dbraw/zinc/16/30/70/388163070.db2.gz WEQHIKKYEXGSGU-IVZWLZJFSA-N 2 0 228.340 0.163 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC[NH2+]C1CC1 ZINC000646196692 388163074 /nfs/dbraw/zinc/16/30/74/388163074.db2.gz REOIEXZVYRKJBA-BDAKNGLRSA-N 2 0 228.340 0.163 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)NCC2C[NH2+]C2)cc1 ZINC000646203130 388163468 /nfs/dbraw/zinc/16/34/68/388163468.db2.gz VQEAVGYGCWOLGH-UHFFFAOYSA-N 2 0 248.330 0.164 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646203883 388163859 /nfs/dbraw/zinc/16/38/59/388163859.db2.gz AOYYKZJRXSEXHD-GARJFASQSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000646216795 388167142 /nfs/dbraw/zinc/16/71/42/388167142.db2.gz XTAHQCBEMHMXRG-XWLWVQCSSA-N 2 0 242.367 0.504 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000449327773 388173078 /nfs/dbraw/zinc/17/30/78/388173078.db2.gz GCTOWVQAMPSATN-JLLWLGSASA-N 2 0 239.363 0.298 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000449379251 388188396 /nfs/dbraw/zinc/18/83/96/388188396.db2.gz ZYKMFVOSRVILBX-WCBMZHEXSA-N 2 0 213.325 0.228 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1([NH3+])CCC1 ZINC000449343054 388177103 /nfs/dbraw/zinc/17/71/03/388177103.db2.gz HKXINWGOJNBCRZ-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)CC(C)(C)[NH3+])[C@@H]2C1 ZINC000646297376 388178273 /nfs/dbraw/zinc/17/82/73/388178273.db2.gz DRFSKJCLNPIYMX-WDEREUQCSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000488503326 388183106 /nfs/dbraw/zinc/18/31/06/388183106.db2.gz UKIRAIUTIDFJOQ-OUAUKWLOSA-N 2 0 227.352 0.250 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000449372078 388184836 /nfs/dbraw/zinc/18/48/36/388184836.db2.gz CCEZOURFYUDZQQ-GMTAPVOTSA-N 2 0 227.352 0.570 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000449371860 388185262 /nfs/dbraw/zinc/18/52/62/388185262.db2.gz ZKEIWSRRAKPEEX-VIFPVBQESA-N 2 0 213.325 0.243 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CC[NH2+]1 ZINC000646012291 388124490 /nfs/dbraw/zinc/12/44/90/388124490.db2.gz KZOCOOXCKCWXHT-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](C)C[NH3+] ZINC000646012029 388124580 /nfs/dbraw/zinc/12/45/80/388124580.db2.gz DWWTVHCCYSAQQK-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H](C)C[NH3+] ZINC000646012028 388124595 /nfs/dbraw/zinc/12/45/95/388124595.db2.gz DWWTVHCCYSAQQK-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000454635023 388126286 /nfs/dbraw/zinc/12/62/86/388126286.db2.gz UHSLDVYLMRTNOY-QWRGUYRKSA-N 2 0 242.367 0.330 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646050466 388133615 /nfs/dbraw/zinc/13/36/15/388133615.db2.gz GELFEZSPJHNGSV-VIFPVBQESA-N 2 0 227.352 0.489 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449079656 388139626 /nfs/dbraw/zinc/13/96/26/388139626.db2.gz ZSJBEFVAIQCSNI-KKOKHZNYSA-N 2 0 239.363 0.570 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000449118041 388141556 /nfs/dbraw/zinc/14/15/56/388141556.db2.gz WHMNNSPKPFWDSA-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000449100617 388142212 /nfs/dbraw/zinc/14/22/12/388142212.db2.gz CIYQOQNUOOYUPG-UWVGGRQHSA-N 2 0 213.325 0.243 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000449106684 388143809 /nfs/dbraw/zinc/14/38/09/388143809.db2.gz IUWJAFCPKHXNBP-RTXFEEFZSA-N 2 0 247.342 0.658 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC(C)(C)C[NH3+] ZINC000449108588 388144026 /nfs/dbraw/zinc/14/40/26/388144026.db2.gz UUBAPFAUJSKZRU-SECBINFHSA-N 2 0 229.368 0.864 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449115434 388144328 /nfs/dbraw/zinc/14/43/28/388144328.db2.gz LKNFASLVODQBDP-SECBINFHSA-N 2 0 227.352 0.761 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000449115283 388144402 /nfs/dbraw/zinc/14/44/02/388144402.db2.gz LFDRENIBGNSRDC-SKDRFNHKSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000449112104 388144502 /nfs/dbraw/zinc/14/45/02/388144502.db2.gz BJKNVZULKXBDET-QPUJVOFHSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000449115892 388144623 /nfs/dbraw/zinc/14/46/23/388144623.db2.gz NMQTXXKOVSISCG-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449115318 388144782 /nfs/dbraw/zinc/14/47/82/388144782.db2.gz LJAMGFALHVULTR-SRVKXCTJSA-N 2 0 241.379 0.866 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000449118016 388145158 /nfs/dbraw/zinc/14/51/58/388145158.db2.gz RASHUYKABHLRRE-QWRGUYRKSA-N 2 0 241.379 0.973 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000449118408 388145500 /nfs/dbraw/zinc/14/55/00/388145500.db2.gz SKBUDFGRVXMFJW-GHMZBOCLSA-N 2 0 229.368 0.864 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000449127028 388146143 /nfs/dbraw/zinc/14/61/43/388146143.db2.gz VNGVLJGYJZBJPH-NXEZZACHSA-N 2 0 215.341 0.474 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000449126018 388146184 /nfs/dbraw/zinc/14/61/84/388146184.db2.gz UGUHGLNARXTCRO-KKOKHZNYSA-N 2 0 239.363 0.476 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C1([NH3+])CCC1 ZINC000449137805 388147397 /nfs/dbraw/zinc/14/73/97/388147397.db2.gz AIQGGCNZCNEBGQ-VIFPVBQESA-N 2 0 213.325 0.502 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C1([NH3+])CCC1 ZINC000449137513 388147784 /nfs/dbraw/zinc/14/77/84/388147784.db2.gz FWIKQALMYYSRHG-UHFFFAOYSA-N 2 0 213.325 0.311 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)c1coc(C[NH3+])c1 ZINC000517739061 256510003 /nfs/dbraw/zinc/51/00/03/256510003.db2.gz HUIJIXKHQRMOOH-UHFFFAOYSA-N 2 0 239.319 0.986 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000449144278 388148624 /nfs/dbraw/zinc/14/86/24/388148624.db2.gz SKPDWHHWYUVHMB-GXSJLCMTSA-N 2 0 227.352 0.761 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000449179992 388153933 /nfs/dbraw/zinc/15/39/33/388153933.db2.gz XWAGCVKGKNRKAF-RHYQMDGZSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449655205 388248622 /nfs/dbraw/zinc/24/86/22/388248622.db2.gz GSHJFOUKRRPGOU-DTWKUNHWSA-N 2 0 249.305 0.473 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449655206 388248844 /nfs/dbraw/zinc/24/88/44/388248844.db2.gz GSHJFOUKRRPGOU-IUCAKERBSA-N 2 0 249.305 0.473 20 0 BCADRP O=C(C[NH2+]CC1CC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449661399 388249925 /nfs/dbraw/zinc/24/99/25/388249925.db2.gz ZTLXFLFRXUBURL-SECBINFHSA-N 2 0 247.289 0.099 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449665114 388250740 /nfs/dbraw/zinc/25/07/40/388250740.db2.gz MMVCXULWRJUWEW-DTWKUNHWSA-N 2 0 249.305 0.617 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449681301 388250871 /nfs/dbraw/zinc/25/08/71/388250871.db2.gz IXADHFWZHMBZOR-NEPJUHHUSA-N 2 0 241.379 0.866 20 0 BCADRP CC[NH+](CC)CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449680144 388250974 /nfs/dbraw/zinc/25/09/74/388250974.db2.gz GBTHEGHFTLTTRK-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449668106 388251058 /nfs/dbraw/zinc/25/10/58/388251058.db2.gz SJYLOSAFWNOZII-VXNVDRBHSA-N 2 0 247.289 0.240 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCC1 ZINC000449673458 388251367 /nfs/dbraw/zinc/25/13/67/388251367.db2.gz ZRSMBPMSVGXNRY-SECBINFHSA-N 2 0 213.325 0.454 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449681307 388251434 /nfs/dbraw/zinc/25/14/34/388251434.db2.gz IXADHFWZHMBZOR-VXGBXAGGSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000165607452 388253143 /nfs/dbraw/zinc/25/31/43/388253143.db2.gz IOQQXIDIMCSPAP-QWRGUYRKSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000518531895 256578852 /nfs/dbraw/zinc/57/88/52/256578852.db2.gz HCSMMFAVVZFPCE-RCWTZXSCSA-N 2 0 227.352 0.413 20 0 BCADRP C[NH+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000167967432 388256144 /nfs/dbraw/zinc/25/61/44/388256144.db2.gz PFAJQRXQAHPLSZ-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000449399533 388194488 /nfs/dbraw/zinc/19/44/88/388194488.db2.gz BOGYYCQATVPTGF-AXFHLTTASA-N 2 0 227.352 0.489 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000449399536 388194603 /nfs/dbraw/zinc/19/46/03/388194603.db2.gz BOGYYCQATVPTGF-MXWKQRLJSA-N 2 0 227.352 0.489 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000164300149 388206377 /nfs/dbraw/zinc/20/63/77/388206377.db2.gz KHQMXKDIPVLAJX-LBPRGKRZSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000449485811 388215837 /nfs/dbraw/zinc/21/58/37/388215837.db2.gz RJBHVJZRQRNTJV-WISYIIOYSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000449493296 388217925 /nfs/dbraw/zinc/21/79/25/388217925.db2.gz LDEXJPKPBMREIT-LMLFDSFASA-N 2 0 225.336 0.099 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000449498707 388218678 /nfs/dbraw/zinc/21/86/78/388218678.db2.gz KVJUEHMLHQWKAD-BDAKNGLRSA-N 2 0 213.325 0.241 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000449497744 388219051 /nfs/dbraw/zinc/21/90/51/388219051.db2.gz RMSAHQLZMDDTLI-HBNTYKKESA-N 2 0 227.352 0.583 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000449503237 388219470 /nfs/dbraw/zinc/21/94/70/388219470.db2.gz XLYYMZOPVAOXNF-YWVKMMECSA-N 2 0 225.336 0.384 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000489512745 388220043 /nfs/dbraw/zinc/22/00/43/388220043.db2.gz OMLNCMQKOXSXJN-JTQLQIEISA-N 2 0 227.352 0.748 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000646320685 388221164 /nfs/dbraw/zinc/22/11/64/388221164.db2.gz YOVRHEGKDGQQHY-GWCFXTLKSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000646320387 388221503 /nfs/dbraw/zinc/22/15/03/388221503.db2.gz FQTRTGYIUAPKSL-PWSUYJOCSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000449546142 388229044 /nfs/dbraw/zinc/22/90/44/388229044.db2.gz UVWCZBZCNNUXKK-FYLLDIAZSA-N 2 0 239.363 0.630 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000449546143 388229124 /nfs/dbraw/zinc/22/91/24/388229124.db2.gz UVWCZBZCNNUXKK-MIZYBKAJSA-N 2 0 239.363 0.630 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])CC(F)F)CC[NH2+]1 ZINC000646327662 388229837 /nfs/dbraw/zinc/22/98/37/388229837.db2.gz NGUXSESBJGFPIT-DTWKUNHWSA-N 2 0 249.305 0.425 20 0 BCADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449572887 388236087 /nfs/dbraw/zinc/23/60/87/388236087.db2.gz OTIJGAFIPHJZRZ-XPORZQOISA-N 2 0 237.347 0.228 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449573232 388236356 /nfs/dbraw/zinc/23/63/56/388236356.db2.gz PYZCAHIBXDCANG-OOTJXSFTSA-N 2 0 237.347 0.228 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000449597387 388239409 /nfs/dbraw/zinc/23/94/09/388239409.db2.gz FCJIWGLDVACMJV-CHWSQXEVSA-N 2 0 247.342 0.554 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449598713 388239966 /nfs/dbraw/zinc/23/99/66/388239966.db2.gz CXBUYBKUFTVGPV-SCVCMEIPSA-N 2 0 235.331 0.847 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449598714 388240325 /nfs/dbraw/zinc/24/03/25/388240325.db2.gz CXBUYBKUFTVGPV-UMNHJUIQSA-N 2 0 235.331 0.847 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000449604436 388240723 /nfs/dbraw/zinc/24/07/23/388240723.db2.gz SWNPILCBVKHQIG-UXCLJVHYSA-N 2 0 225.336 0.228 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H]([NH3+])CC ZINC000449608956 388242393 /nfs/dbraw/zinc/24/23/93/388242393.db2.gz LRZONCROTDVCLH-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP CC[C@H](C(=O)NC[C@@H]([NH3+])CC)[NH+](CC)CC ZINC000449611413 388242627 /nfs/dbraw/zinc/24/26/27/388242627.db2.gz VOOXDTBRAJUNJK-WDEREUQCSA-N 2 0 229.368 0.960 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H](CC)[NH+](CC)CC ZINC000449611411 388243221 /nfs/dbraw/zinc/24/32/21/388243221.db2.gz VOOXDTBRAJUNJK-MNOVXSKESA-N 2 0 229.368 0.960 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000449623446 388244191 /nfs/dbraw/zinc/24/41/91/388244191.db2.gz LRRPFTUKRMLERJ-MRVPVSSYSA-N 2 0 237.294 0.425 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449624196 388245225 /nfs/dbraw/zinc/24/52/25/388245225.db2.gz MTFKVUBRQPTQBQ-QMMMGPOBSA-N 2 0 244.245 0.206 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449640440 388247739 /nfs/dbraw/zinc/24/77/39/388247739.db2.gz BFEPTCZBFJZUFS-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)/C=C/C[NH+](C)C ZINC000491845201 388324699 /nfs/dbraw/zinc/32/46/99/388324699.db2.gz JSPNEYNCADRAJC-BTDICHCPSA-N 2 0 239.363 0.657 20 0 BCADRP CC[NH+](CC)CCNC(=O)/C=C\C[NH+](C)C ZINC000491870869 388325543 /nfs/dbraw/zinc/32/55/43/388325543.db2.gz PDSHZLRPVMSAKY-FPLPWBNLSA-N 2 0 227.352 0.562 20 0 BCADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)/C=C/C[NH+](C)C ZINC000491883750 388326269 /nfs/dbraw/zinc/32/62/69/388326269.db2.gz LMIGQTQRNWMPAM-BTDICHCPSA-N 2 0 239.363 0.514 20 0 BCADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)/C=C/C[NH+](C)C ZINC000491883755 388326296 /nfs/dbraw/zinc/32/62/96/388326296.db2.gz LMIGQTQRNWMPAM-FYJFLYSWSA-N 2 0 239.363 0.514 20 0 BCADRP CN(C(=O)/C=C/C[NH+](C)C)[C@@H]1CCC[N@H+](C)C1 ZINC000491901824 388326968 /nfs/dbraw/zinc/32/69/68/388326968.db2.gz CHUZCESSFKZCQX-WAFBPQNNSA-N 2 0 239.363 0.657 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646336163 388261979 /nfs/dbraw/zinc/26/19/79/388261979.db2.gz JRPFSXAEDDPSHL-VXGBXAGGSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)co1 ZINC000646336262 388262161 /nfs/dbraw/zinc/26/21/61/388262161.db2.gz MAEZDJIDWSCCBF-CABZTGNLSA-N 2 0 249.314 0.562 20 0 BCADRP O=C(C[NH2+]C1CC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953458 388268994 /nfs/dbraw/zinc/26/89/94/388268994.db2.gz UVHSIOXFHYIZSE-GFCCVEGCSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953453 388269506 /nfs/dbraw/zinc/26/95/06/388269506.db2.gz UPTXHVOSRLVBEX-ZYHUDNBSSA-N 2 0 239.363 0.442 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646384130 388347748 /nfs/dbraw/zinc/34/77/48/388347748.db2.gz FENGWBSHWDMBFS-VXGBXAGGSA-N 2 0 239.363 0.573 20 0 BCADRP CC(C)[C@@H](CO)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000086404897 388349508 /nfs/dbraw/zinc/34/95/08/388349508.db2.gz OUWOZHQYHNTFTC-OUAUKWLOSA-N 2 0 200.326 0.863 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]([NH3+])CC(F)F ZINC000516571310 388349920 /nfs/dbraw/zinc/34/99/20/388349920.db2.gz SDVQEKXJJFDLQS-SSDOTTSWSA-N 2 0 237.294 0.412 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000516584013 388358392 /nfs/dbraw/zinc/35/83/92/388358392.db2.gz MFKALVOCXKJLDY-MXWKQRLJSA-N 2 0 237.347 0.609 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000261533183 135163989 /nfs/dbraw/zinc/16/39/89/135163989.db2.gz AWDQSDAOVFFHIH-KOLCDFICSA-N 2 0 213.325 0.454 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000300392126 388365192 /nfs/dbraw/zinc/36/51/92/388365192.db2.gz YOBJUTLXEMDLQB-SDDRHHMPSA-N 2 0 212.337 0.953 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CCN1CCCC[C@@H]1C(N)=O ZINC000163692261 388366207 /nfs/dbraw/zinc/36/62/07/388366207.db2.gz HBDZGHMRDFRMAH-VXGBXAGGSA-N 2 0 239.363 0.811 20 0 BCADRP [NH3+]CCCC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000309589471 388368764 /nfs/dbraw/zinc/36/87/64/388368764.db2.gz YGUKFYARILTSNY-SNVBAGLBSA-N 2 0 213.325 0.455 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000572760817 388374731 /nfs/dbraw/zinc/37/47/31/388374731.db2.gz CUTIOVWVTWRASV-KXUCPTDWSA-N 2 0 213.325 0.228 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000354292802 388378442 /nfs/dbraw/zinc/37/84/42/388378442.db2.gz XOFNPPQJVVMCLJ-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP [NH3+]CCN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000572842546 388380531 /nfs/dbraw/zinc/38/05/31/388380531.db2.gz HQLMRUIVGQVRRA-NWDGAFQWSA-N 3 0 227.352 0.163 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)NCC[NH2+]CC ZINC000236745184 388382166 /nfs/dbraw/zinc/38/21/66/388382166.db2.gz JSYKPCLUEAISAE-SECBINFHSA-N 2 0 201.314 0.230 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236692192 388382421 /nfs/dbraw/zinc/38/24/21/388382421.db2.gz OWAWIRSUTRNARU-WDEREUQCSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC000236715946 388382625 /nfs/dbraw/zinc/38/26/25/388382625.db2.gz ILZPUTYEAWIJEO-JTQLQIEISA-N 2 0 213.325 0.167 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000572876632 388383215 /nfs/dbraw/zinc/38/32/15/388383215.db2.gz PSEJIWRBSXWLTJ-CMPLNLGQSA-N 2 0 227.352 0.620 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000236804167 388383654 /nfs/dbraw/zinc/38/36/54/388383654.db2.gz MGGUKHOLZFJOMF-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000236837667 388384472 /nfs/dbraw/zinc/38/44/72/388384472.db2.gz LCJAWMORPOJUOW-NSHDSACASA-N 2 0 227.352 0.526 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000236889942 388385555 /nfs/dbraw/zinc/38/55/55/388385555.db2.gz ZSVVSUPYOKMEHC-UTLUCORTSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000236902786 388385796 /nfs/dbraw/zinc/38/57/96/388385796.db2.gz WLMSIQPVHCKTBH-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000236908154 388386154 /nfs/dbraw/zinc/38/61/54/388386154.db2.gz WLMSIQPVHCKTBH-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+]C[C@H](C(=O)NC1CC[NH2+]CC1)c1ccccc1 ZINC000646575093 388387386 /nfs/dbraw/zinc/38/73/86/388387386.db2.gz UOJUVSCPGFJHDV-ZDUSSCGKSA-N 2 0 247.342 0.597 20 0 BCADRP CC[C@H]([NH3+])C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000236958018 388387636 /nfs/dbraw/zinc/38/76/36/388387636.db2.gz ODJCOMZRQABOHY-VIFPVBQESA-N 2 0 239.323 0.121 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000237130925 388390141 /nfs/dbraw/zinc/39/01/41/388390141.db2.gz GYVOUPHTWVUCOQ-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237146590 388391078 /nfs/dbraw/zinc/39/10/78/388391078.db2.gz NAPIIUUIKPGBBN-JQWIXIFHSA-N 2 0 227.352 0.348 20 0 BCADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H](C)[NH3+] ZINC000646600427 388393193 /nfs/dbraw/zinc/39/31/93/388393193.db2.gz LYIOQPQVCBJRQQ-PSASIEDQSA-N 2 0 237.303 0.158 20 0 BCADRP C[NH2+]CC(=O)NC[C@@H]([NH3+])c1ccccc1OC ZINC000646600714 388393320 /nfs/dbraw/zinc/39/33/20/388393320.db2.gz OFIFLPYDFOLQPE-SNVBAGLBSA-N 2 0 237.303 0.031 20 0 BCADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H](C)[NH3+] ZINC000646600428 388393336 /nfs/dbraw/zinc/39/33/36/388393336.db2.gz LYIOQPQVCBJRQQ-SCZZXKLOSA-N 2 0 237.303 0.158 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)o1 ZINC000646610044 388394366 /nfs/dbraw/zinc/39/43/66/388394366.db2.gz HNIPHGQHBYMLBB-MRVPVSSYSA-N 2 0 223.276 0.220 20 0 BCADRP C[C@@]1(C(=O)N[C@@H](C[NH3+])C2CC2)CCC[NH2+]C1 ZINC000237513416 388395566 /nfs/dbraw/zinc/39/55/66/388395566.db2.gz JGTHNWNPADBSIV-CMPLNLGQSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000572952418 388397081 /nfs/dbraw/zinc/39/70/81/388397081.db2.gz OZMQJDIZSYVVPZ-GVXVVHGQSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000646664039 388406730 /nfs/dbraw/zinc/40/67/30/388406730.db2.gz KGTVQHAQJCDOKB-FIQHERPVSA-N 2 0 239.363 0.489 20 0 BCADRP CC[NH2+]CCCNC(=O)c1ccc(C[NH3+])o1 ZINC000646626385 388397536 /nfs/dbraw/zinc/39/75/36/388397536.db2.gz OWYIDPOUJGEHAA-UHFFFAOYSA-N 2 0 225.292 0.468 20 0 BCADRP C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000237627068 388397894 /nfs/dbraw/zinc/39/78/94/388397894.db2.gz AHLIZCMHGWHKRJ-GUBZILKMSA-N 2 0 213.325 0.132 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000237804735 388399689 /nfs/dbraw/zinc/39/96/89/388399689.db2.gz BCFVVCOMCPKQFL-SECBINFHSA-N 2 0 211.309 0.126 20 0 BCADRP C[C@@H](NC(=O)CC1([NH3+])CCC1)[C@@H]1CCC[NH2+]C1 ZINC000646664078 388406751 /nfs/dbraw/zinc/40/67/51/388406751.db2.gz PIJMYJWGKWBLMK-GHMZBOCLSA-N 2 0 239.363 0.762 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000646649670 388401744 /nfs/dbraw/zinc/40/17/44/388401744.db2.gz QDKKWCMEPMFGLU-GVXVVHGQSA-N 2 0 237.347 0.244 20 0 BCADRP [NH3+]Cc1cc(C(=O)NC[C@@H]2CCCC[NH2+]2)co1 ZINC000646649778 388402193 /nfs/dbraw/zinc/40/21/93/388402193.db2.gz WKUSTRMGHSPHDM-JTQLQIEISA-N 2 0 237.303 0.610 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000646650865 388403047 /nfs/dbraw/zinc/40/30/47/388403047.db2.gz MADWMDQELLVNQV-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C[C@H](NC(=O)[C@H](C)[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000649270233 388480667 /nfs/dbraw/zinc/48/06/67/388480667.db2.gz KPCSAAQVPYWGFM-DCAQKATOSA-N 2 0 227.352 0.441 20 0 BCADRP [NH3+][C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CCC1 ZINC000335045258 388448413 /nfs/dbraw/zinc/44/84/13/388448413.db2.gz MXHKVNHBKUZTNN-NWDGAFQWSA-N 2 0 237.347 0.420 20 0 BCADRP CC(C)[C@@H](CO)C[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000394098121 388450417 /nfs/dbraw/zinc/45/04/17/388450417.db2.gz SARJPVALYLRHLH-JHJVBQTASA-N 2 0 244.379 0.608 20 0 BCADRP CCOC(=O)CC[N@H+](C)CC(C)(C)C[NH3+] ZINC000405144598 388452354 /nfs/dbraw/zinc/45/23/54/388452354.db2.gz VUKHPJVXLGTGRL-UHFFFAOYSA-N 2 0 216.325 0.856 20 0 BCADRP CC[NH+](CC)CCSCC(=O)NC[C@@H](C)[NH3+] ZINC000194888640 388454704 /nfs/dbraw/zinc/45/47/04/388454704.db2.gz BRWWDKMBXALORK-SNVBAGLBSA-N 2 0 247.408 0.525 20 0 BCADRP [NH3+]CCOCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000646751038 388458033 /nfs/dbraw/zinc/45/80/33/388458033.db2.gz NJWGMLKMNVNGPI-UHFFFAOYSA-N 2 0 249.314 0.246 20 0 BCADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)[C@H](C)O ZINC000514861408 388460640 /nfs/dbraw/zinc/46/06/40/388460640.db2.gz FQHUSWVSACSWAE-FRRDWIJNSA-N 2 0 244.379 0.582 20 0 BCADRP C[C@@H](NC(=O)CC(C)(C)[NH3+])[C@H]1CCC[NH2+]C1 ZINC000646664116 388407214 /nfs/dbraw/zinc/40/72/14/388407214.db2.gz XUBUWMLSWYJBCL-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000646664743 388407257 /nfs/dbraw/zinc/40/72/57/388407257.db2.gz XQSUURYYQIHRAG-RTBKNWGFSA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+]C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000646670002 388410015 /nfs/dbraw/zinc/41/00/15/388410015.db2.gz PCDZQUPUWOYGAS-MNOVXSKESA-N 2 0 225.336 0.326 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000646671994 388411764 /nfs/dbraw/zinc/41/17/64/388411764.db2.gz PEUFUYWWOWNRAP-WZRBSPASSA-N 2 0 239.363 0.701 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000646686752 388416206 /nfs/dbraw/zinc/41/62/06/388416206.db2.gz HKAJTZQPQXPBEV-LLVKDONJSA-N 2 0 225.336 0.339 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000646686821 388416406 /nfs/dbraw/zinc/41/64/06/388416406.db2.gz VHYRTFJEJHMNJO-LBPRGKRZSA-N 2 0 239.363 0.729 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000646696955 388419378 /nfs/dbraw/zinc/41/93/78/388419378.db2.gz DIIJORWHPYAESR-NWDGAFQWSA-N 2 0 247.342 0.801 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000646707712 388420917 /nfs/dbraw/zinc/42/09/17/388420917.db2.gz FMGWDMLKSPEUSA-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H](C(=O)N(C)CCC[NH+](C)C)[NH+]1CC(C)C1 ZINC000516086223 256764372 /nfs/dbraw/zinc/76/43/72/256764372.db2.gz WDUYQLVIXCFMCI-LBPRGKRZSA-N 2 0 241.379 0.737 20 0 BCADRP C[NH+](C)C[C@H]1CC[N@H+](CC[C@@H]2CCNC2=O)C1 ZINC000573164745 388428122 /nfs/dbraw/zinc/42/81/22/388428122.db2.gz XBQXINRRESWEGQ-NEPJUHHUSA-N 2 0 239.363 0.396 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000573245002 388432734 /nfs/dbraw/zinc/43/27/34/388432734.db2.gz CXIDXWJDBYDJGA-KXUCPTDWSA-N 2 0 228.340 0.116 20 0 BCADRP CCC[NH+]1CCC(C[NH2+]CCC(N)=O)CC1 ZINC000573236793 388435333 /nfs/dbraw/zinc/43/53/33/388435333.db2.gz LSTFMXJPSWFAGJ-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP CC(C)(O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246029416 388436057 /nfs/dbraw/zinc/43/60/57/388436057.db2.gz XQMDIAPYVNXUII-MNOVXSKESA-N 2 0 212.337 0.974 20 0 BCADRP C[NH2+]CCc1nc(C2([NH3+])CCCC2)no1 ZINC000517144514 388539247 /nfs/dbraw/zinc/53/92/47/388539247.db2.gz KUDWFVCWEKMLPU-UHFFFAOYSA-N 2 0 210.281 0.560 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000516470146 256778021 /nfs/dbraw/zinc/77/80/21/256778021.db2.gz GPLMAUYTXWCPHL-DTWKUNHWSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000516470145 256778225 /nfs/dbraw/zinc/77/82/25/256778225.db2.gz GPLMAUYTXWCPHL-BDAKNGLRSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000516470148 256778633 /nfs/dbraw/zinc/77/86/33/256778633.db2.gz GPLMAUYTXWCPHL-RKDXNWHRSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000517235137 388544308 /nfs/dbraw/zinc/54/43/08/388544308.db2.gz GZOVZIGEFVZLDN-YPMHNXCESA-N 2 0 249.358 0.800 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000517235687 388544557 /nfs/dbraw/zinc/54/45/57/388544557.db2.gz XOMWDNFXTCRDNL-SGIHWFKDSA-N 2 0 213.325 0.226 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000517237600 388544764 /nfs/dbraw/zinc/54/47/64/388544764.db2.gz LUBVXIOENXRJSC-AEJSXWLSSA-N 2 0 215.341 0.602 20 0 BCADRP CC1(C)CC[C@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000517356242 388547660 /nfs/dbraw/zinc/54/76/60/388547660.db2.gz RLIAHHMNPAOIRT-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000649273795 388485295 /nfs/dbraw/zinc/48/52/95/388485295.db2.gz HWRQNYIKEKTBKH-AXFHLTTASA-N 2 0 225.336 0.289 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000646762941 388486448 /nfs/dbraw/zinc/48/64/48/388486448.db2.gz IYJGAHZGWQELQE-GWOFURMSSA-N 2 0 225.336 0.180 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649277220 388500720 /nfs/dbraw/zinc/50/07/20/388500720.db2.gz MXDOLKMLPOUOQG-WYUUTHIRSA-N 2 0 237.347 0.052 20 0 BCADRP CN(C(=O)CCCC[NH3+])C1(C[NH3+])CCC1 ZINC000517375775 388549091 /nfs/dbraw/zinc/54/90/91/388549091.db2.gz WJSVIIWAYZVCTF-UHFFFAOYSA-N 2 0 213.325 0.455 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@H]1CCCC[N@@H+]1C ZINC000646782983 388500835 /nfs/dbraw/zinc/50/08/35/388500835.db2.gz GFWCMSCRMUVOIH-SNVBAGLBSA-N 2 0 213.325 0.278 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649278833 388505662 /nfs/dbraw/zinc/50/56/62/388505662.db2.gz GLCFKXUGHHUJGU-JLLWLGSASA-N 2 0 237.347 0.337 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000646797057 388508078 /nfs/dbraw/zinc/50/80/78/388508078.db2.gz CRJVTXBMNITPDE-ZJUUUORDSA-N 2 0 249.314 0.705 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1CC(C)(C)[NH3+] ZINC000378800721 388508103 /nfs/dbraw/zinc/50/81/03/388508103.db2.gz UBZCQONVZBTVOE-IUCAKERBSA-N 2 0 203.305 0.356 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC000548113437 388513332 /nfs/dbraw/zinc/51/33/32/388513332.db2.gz YSKYUPPQRRASLD-LLVKDONJSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000516768528 388515846 /nfs/dbraw/zinc/51/58/46/388515846.db2.gz XICMJIJEDWBVPY-SDDRHHMPSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+]CCCN(C)C(=O)CC[NH2+]C1CC1 ZINC000087471793 388520236 /nfs/dbraw/zinc/52/02/36/388520236.db2.gz VCLRYSZBKDSQAI-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP [NH3+]C1(C[NH2+]CCOC[C@@H]2CCCO2)CCC1 ZINC000516867918 388522864 /nfs/dbraw/zinc/52/28/64/388522864.db2.gz YVGQGIVWNIKYHZ-NSHDSACASA-N 2 0 228.336 0.653 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000517148070 256817129 /nfs/dbraw/zinc/81/71/29/256817129.db2.gz AMBQWVJFBPKSCQ-DYEKYZERSA-N 2 0 249.358 0.339 20 0 BCADRP C[C@@]1(C(=O)N2CCC(C[NH3+])CC2)CCC[NH2+]1 ZINC000516927405 388525059 /nfs/dbraw/zinc/52/50/59/388525059.db2.gz LNKNWOJERLPMKL-LBPRGKRZSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH2+]CCCC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000516969615 388528974 /nfs/dbraw/zinc/52/89/74/388528974.db2.gz CMXVZWLQCLCMGK-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000517028042 388533485 /nfs/dbraw/zinc/53/34/85/388533485.db2.gz FQRBATIXSNNULK-QWRGUYRKSA-N 2 0 227.352 0.490 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000517031117 388533505 /nfs/dbraw/zinc/53/35/05/388533505.db2.gz HDZHPNQXZWXCFX-QMMMGPOBSA-N 2 0 201.314 0.086 20 0 BCADRP C[NH2+]CCC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000517031111 388533867 /nfs/dbraw/zinc/53/38/67/388533867.db2.gz HDZHPNQXZWXCFX-MRVPVSSYSA-N 2 0 201.314 0.086 20 0 BCADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCN2CCCC2=O)C1 ZINC000517041049 388536387 /nfs/dbraw/zinc/53/63/87/388536387.db2.gz DBXKQLBOIBRFBN-RYUDHWBXSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C[NH2+]C1CC1 ZINC000245969856 388612760 /nfs/dbraw/zinc/61/27/60/388612760.db2.gz NVFUAVBVSMXLGC-CMPLNLGQSA-N 2 0 239.363 0.537 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000517564925 388552987 /nfs/dbraw/zinc/55/29/87/388552987.db2.gz MOMHZMMGJKIKJR-ZJUUUORDSA-N 2 0 225.336 0.230 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000517564923 388553546 /nfs/dbraw/zinc/55/35/46/388553546.db2.gz MOMHZMMGJKIKJR-UWVGGRQHSA-N 2 0 225.336 0.230 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000646817590 388553651 /nfs/dbraw/zinc/55/36/51/388553651.db2.gz NRJWRVVKRTXXTI-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000517719696 388557464 /nfs/dbraw/zinc/55/74/64/388557464.db2.gz NOENOZRQFNTTDO-WOPDTQHZSA-N 2 0 239.363 0.490 20 0 BCADRP CO[C@H](C[NH3+])CC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000646823341 388558345 /nfs/dbraw/zinc/55/83/45/388558345.db2.gz KJCGADOHCWQHFA-QWRGUYRKSA-N 2 0 245.367 0.182 20 0 BCADRP CC(C)(C[NH3+])NC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000521004943 388560128 /nfs/dbraw/zinc/56/01/28/388560128.db2.gz GPMFKTHRMZNTNF-LBPRGKRZSA-N 2 0 249.358 0.800 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC[NH2+]C1CC1 ZINC000521068085 388560649 /nfs/dbraw/zinc/56/06/49/388560649.db2.gz KYQONBAJXHQEIR-MWLCHTKSSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367602595 388565476 /nfs/dbraw/zinc/56/54/76/388565476.db2.gz UYKFYRWOCVEBEN-QCNOEVLYSA-N 2 0 212.337 0.830 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000581129982 388571391 /nfs/dbraw/zinc/57/13/91/388571391.db2.gz FIXBNQUATWMTLO-DCAQKATOSA-N 2 0 225.336 0.052 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649297538 388575363 /nfs/dbraw/zinc/57/53/63/388575363.db2.gz AMWTUIYQRHXHTL-LBELIVKGSA-N 2 0 249.358 0.480 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000649297714 388575495 /nfs/dbraw/zinc/57/54/95/388575495.db2.gz RZNWDXGPLARDIS-WRWGMCAJSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000649297711 388575911 /nfs/dbraw/zinc/57/59/11/388575911.db2.gz RZNWDXGPLARDIS-KXNHARMFSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@H](O)CC[NH+](C)CCC[N@@H+](C)CC[C@H](C)O ZINC000245438767 388579636 /nfs/dbraw/zinc/57/96/36/388579636.db2.gz FMPLZUMPHKORBX-STQMWFEESA-N 2 0 246.395 0.782 20 0 BCADRP COC[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000245448163 388580551 /nfs/dbraw/zinc/58/05/51/388580551.db2.gz MQOAUEWEEMPEBI-MNOVXSKESA-N 2 0 200.326 0.905 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000521041796 256834315 /nfs/dbraw/zinc/83/43/15/256834315.db2.gz ZKGOJWLIGULDMW-YWVKMMECSA-N 2 0 225.336 0.384 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649301619 388584485 /nfs/dbraw/zinc/58/44/85/388584485.db2.gz HBMMTNBLIVUALA-NJMOYASZSA-N 2 0 249.358 0.480 20 0 BCADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649301620 388584525 /nfs/dbraw/zinc/58/45/25/388584525.db2.gz HBMMTNBLIVUALA-RXGFPQBGSA-N 2 0 249.358 0.480 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)CCC(C)(C)[NH3+])C1CC1 ZINC000649302670 388585477 /nfs/dbraw/zinc/58/54/77/388585477.db2.gz GFIVGGAFLVHXAN-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000192127344 388675080 /nfs/dbraw/zinc/67/50/80/388675080.db2.gz XGQBVEVXEHUIEL-NWDGAFQWSA-N 2 0 249.358 0.957 20 0 BCADRP CCn1nncc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000530206382 388626204 /nfs/dbraw/zinc/62/62/04/388626204.db2.gz BIZDIAKVQJUIGX-ZJUUUORDSA-N 2 0 223.324 0.658 20 0 BCADRP CCn1nncc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000530208552 388627047 /nfs/dbraw/zinc/62/70/47/388627047.db2.gz HPKUTUFBOPYUGY-KOLCDFICSA-N 2 0 223.324 0.515 20 0 BCADRP CCn1nncc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000530212688 388627705 /nfs/dbraw/zinc/62/77/05/388627705.db2.gz SPSXSYSWQZWKBH-JQWIXIFHSA-N 2 0 237.351 0.905 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(C)C1=O ZINC000530218364 388631299 /nfs/dbraw/zinc/63/12/99/388631299.db2.gz MJYJQAGDJBWNDK-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530219413 388631302 /nfs/dbraw/zinc/63/13/02/388631302.db2.gz LSCRFNDXMZFPOO-WOPDTQHZSA-N 2 0 223.364 0.811 20 0 BCADRP [NH3+][C@@H]1C[C@@H](NC[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC000530220568 388631753 /nfs/dbraw/zinc/63/17/53/388631753.db2.gz BIELMBQBTMLWTI-LERXQTSPSA-N 2 0 247.342 0.709 20 0 BCADRP C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)C1C[NH2+]C1 ZINC000530224364 388634320 /nfs/dbraw/zinc/63/43/20/388634320.db2.gz LPYFWEXHHFPABL-ULHKAFAUSA-N 2 0 212.337 0.996 20 0 BCADRP CCOC[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000530232438 388636840 /nfs/dbraw/zinc/63/68/40/388636840.db2.gz PCVDVVYVKVFQKK-QWHCGFSZSA-N 2 0 242.363 0.723 20 0 BCADRP C[NH+](C)C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC000551949287 388649504 /nfs/dbraw/zinc/64/95/04/388649504.db2.gz DURKIUKALHKZEC-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H](C)[NH2+]1 ZINC000620897925 388652323 /nfs/dbraw/zinc/65/23/23/388652323.db2.gz GUHBFPYCHIFDKM-QJPTWQEYSA-N 2 0 239.363 0.537 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000246923050 388655217 /nfs/dbraw/zinc/65/52/17/388655217.db2.gz KHGOLQZEOGPING-OUAUKWLOSA-N 2 0 227.352 0.700 20 0 BCADRP CCn1nccc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000194541161 388735029 /nfs/dbraw/zinc/73/50/29/388735029.db2.gz ONKRKQKBTNQWIO-TXEJJXNPSA-N 2 0 234.347 0.896 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000648730520 388752032 /nfs/dbraw/zinc/75/20/32/388752032.db2.gz FWKPFTKBXCIZMG-GMTAPVOTSA-N 2 0 227.352 0.393 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646870217 388688358 /nfs/dbraw/zinc/68/83/58/388688358.db2.gz BNWICSXVACDKKX-ZMLRMANQSA-N 2 0 239.363 0.333 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000248846422 388694694 /nfs/dbraw/zinc/69/46/94/388694694.db2.gz HZYJGZNELAIQQR-GARJFASQSA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000522145162 388705866 /nfs/dbraw/zinc/70/58/66/388705866.db2.gz LYWWKGJFQAAHCL-GFCCVEGCSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)c1coc(C[NH3+])c1 ZINC000564209173 388708321 /nfs/dbraw/zinc/70/83/21/388708321.db2.gz LFQXPDQYOOENLC-SNVBAGLBSA-N 2 0 225.292 0.451 20 0 BCADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000126930317 388709156 /nfs/dbraw/zinc/70/91/56/388709156.db2.gz UJUAYPFYMUZSNL-GRYCIOLGSA-N 2 0 239.363 0.762 20 0 BCADRP CO[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000229602619 388796065 /nfs/dbraw/zinc/79/60/65/388796065.db2.gz FDINCDHGFSZXJZ-HBNTYKKESA-N 2 0 200.326 0.951 20 0 BCADRP C[NH+](C)C[C@](C)(O)C[NH2+]C1CCOCC1 ZINC000228722206 388770419 /nfs/dbraw/zinc/77/04/19/388770419.db2.gz SVYJEWVMJWMNEH-LLVKDONJSA-N 2 0 216.325 0.068 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000230191411 388819239 /nfs/dbraw/zinc/81/92/39/388819239.db2.gz IIQVLAGHDAFYGW-GARJFASQSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000092956712 388822844 /nfs/dbraw/zinc/82/28/44/388822844.db2.gz MRPQORNIVUZYEX-TUAOUCFPSA-N 2 0 239.363 0.537 20 0 BCADRP CCC[NH2+]CCNC(=O)CC[C@@H](C)[NH3+] ZINC000193323984 388849379 /nfs/dbraw/zinc/84/93/79/388849379.db2.gz LHLQMGJJIVXECM-SECBINFHSA-N 2 0 201.314 0.230 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000523662593 388849650 /nfs/dbraw/zinc/84/96/50/388849650.db2.gz XBFJLAIMWRXYPZ-SNVBAGLBSA-N 2 0 213.325 0.006 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000523663168 388850199 /nfs/dbraw/zinc/85/01/99/388850199.db2.gz RDXVEEMSLZWVKH-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000564971368 388902696 /nfs/dbraw/zinc/90/26/96/388902696.db2.gz ZPTJMBXRTWKOOW-UPJWGTAASA-N 2 0 223.364 0.527 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cnc(N(C)C)nc1 ZINC000564970162 388903822 /nfs/dbraw/zinc/90/38/22/388903822.db2.gz JCZVGIAGYPAORQ-VHSXEESVSA-N 2 0 237.351 0.758 20 0 BCADRP O=C(NCC1CC[NH2+]CC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000564945903 388899809 /nfs/dbraw/zinc/89/98/09/388899809.db2.gz ZTYVAKOYHMAFQZ-AAEUAGOBSA-N 2 0 237.347 0.102 20 0 BCADRP CC(C)[C@H](C(=O)NC1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000564939339 388900177 /nfs/dbraw/zinc/90/01/77/388900177.db2.gz HPWGSTLGJZTQGG-ONGXEEELSA-N 2 0 227.352 0.474 20 0 BCADRP C[NH2+]CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000564947307 388900361 /nfs/dbraw/zinc/90/03/61/388900361.db2.gz IRHXHVFMFKGYSU-ZYANWLCNSA-N 2 0 239.363 0.476 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000564949551 388900403 /nfs/dbraw/zinc/90/04/03/388900403.db2.gz ANEWJLNEPUMBDJ-LPEHRKFASA-N 2 0 225.336 0.323 20 0 BCADRP CCC[NH2+]CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000564949842 388900917 /nfs/dbraw/zinc/90/09/17/388900917.db2.gz FPCXXAHLZBMCTI-NSHDSACASA-N 2 0 227.352 0.492 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NCC1=CC[NH2+]CC1 ZINC000564950411 388901093 /nfs/dbraw/zinc/90/10/93/388901093.db2.gz CTYIQZDNOHLRDE-VIFPVBQESA-N 2 0 223.320 0.163 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)ccn1 ZINC000564957098 388901793 /nfs/dbraw/zinc/90/17/93/388901793.db2.gz ZMFDFKDEEWOQMT-GXSJLCMTSA-N 2 0 248.330 0.398 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564985213 388905582 /nfs/dbraw/zinc/90/55/82/388905582.db2.gz FVLFXZMYZWOPGT-LBPRGKRZSA-N 2 0 227.352 0.037 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000564981890 388905628 /nfs/dbraw/zinc/90/56/28/388905628.db2.gz RHUOPVYFGGCSNK-SCVCMEIPSA-N 2 0 241.379 0.946 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000565029658 388909328 /nfs/dbraw/zinc/90/93/28/388909328.db2.gz BRIBJTMYJMBQHG-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000565029663 388909887 /nfs/dbraw/zinc/90/98/87/388909887.db2.gz BRIBJTMYJMBQHG-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000565040649 388910305 /nfs/dbraw/zinc/91/03/05/388910305.db2.gz NSSHRDCFKPZOES-UTUOFQBUSA-N 2 0 239.363 0.524 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CN1CC(C)(C)C1 ZINC000565185658 388923069 /nfs/dbraw/zinc/92/30/69/388923069.db2.gz NKXZOUIMVOEZGM-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@H](C)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565233679 388929666 /nfs/dbraw/zinc/92/96/66/388929666.db2.gz OJNHYPCGUDIDPF-DCAQKATOSA-N 2 0 225.336 0.276 20 0 BCADRP CC(C)OC(=O)CC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000565599016 388957724 /nfs/dbraw/zinc/95/77/24/388957724.db2.gz BCKWLKRRWOBDQZ-LLVKDONJSA-N 2 0 228.336 0.999 20 0 BCADRP [NH3+]C[C@@H]1CCC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000565421706 388942839 /nfs/dbraw/zinc/94/28/39/388942839.db2.gz ARTSYSFZRJCPMP-QWHCGFSZSA-N 2 0 242.363 0.853 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@H](C)CCC[NH3+] ZINC000565538594 388952787 /nfs/dbraw/zinc/95/27/87/388952787.db2.gz LNYANJDKNRAMEG-ZJUUUORDSA-N 2 0 215.341 0.618 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000565886983 388976157 /nfs/dbraw/zinc/97/61/57/388976157.db2.gz JBYXKUVAVRIJAO-GRYCIOLGSA-N 2 0 239.363 0.524 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000565948889 388981063 /nfs/dbraw/zinc/98/10/63/388981063.db2.gz LIHSLLSEABUAMO-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000336659612 169688984 /nfs/dbraw/zinc/68/89/84/169688984.db2.gz NHSZAFVSZUKJKN-QWRGUYRKSA-N 2 0 229.368 0.960 20 0 BCADRP CC[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC000368687334 169693823 /nfs/dbraw/zinc/69/38/23/169693823.db2.gz JQSYEAVGROQVMO-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@H](O)C2CC2)CC1 ZINC000070879973 535474319 /nfs/dbraw/zinc/47/43/19/535474319.db2.gz QNXDXLUCEXQNSP-LBPRGKRZSA-N 2 0 212.337 0.831 20 0 BCADRP Cc1cc(N2CCC([NH2+]CCO)CC2)cc[nH+]1 ZINC000290973074 132217588 /nfs/dbraw/zinc/21/75/88/132217588.db2.gz QGARRCQYWPJTJF-UHFFFAOYSA-N 2 0 235.331 0.941 20 0 BCADRP C[NH2+]CC(=O)N1CC[C@H]([NH3+])c2cc(OC)ccc21 ZINC000365493475 132453845 /nfs/dbraw/zinc/45/38/45/132453845.db2.gz ONWLJXWPBNPHCZ-NSHDSACASA-N 2 0 249.314 0.651 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000343595576 133698462 /nfs/dbraw/zinc/69/84/62/133698462.db2.gz LSZHMJWESSINIB-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000335477412 133880195 /nfs/dbraw/zinc/88/01/95/133880195.db2.gz FZEXXXWBOKJKIG-GHMZBOCLSA-N 2 0 227.352 0.666 20 0 BCADRP CNC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000335930962 134010298 /nfs/dbraw/zinc/01/02/98/134010298.db2.gz HNPMHONDDUPECM-ZDUSSCGKSA-N 2 0 239.363 0.540 20 0 BCADRP CC[C@H](C(=O)N1CCC[N@H+](C)CC1)[NH+](C)C ZINC000335931236 134010727 /nfs/dbraw/zinc/01/07/27/134010727.db2.gz GDVTTZBPRLNKNE-LLVKDONJSA-N 2 0 227.352 0.491 20 0 BCADRP C[C@]1(C(=O)N2CCC[C@@H](CC[NH3+])C2)CC[NH2+]C1 ZINC000335946093 134019779 /nfs/dbraw/zinc/01/97/79/134019779.db2.gz AQQGMDRPEXATPF-AAEUAGOBSA-N 2 0 239.363 0.573 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335990115 134039787 /nfs/dbraw/zinc/03/97/87/134039787.db2.gz IYQQDYGFSKAMLY-LBPRGKRZSA-N 2 0 225.336 0.327 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000336004072 134048422 /nfs/dbraw/zinc/04/84/22/134048422.db2.gz UIPAOEWCPNIXMI-NWDGAFQWSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000336004071 134048630 /nfs/dbraw/zinc/04/86/30/134048630.db2.gz UIPAOEWCPNIXMI-NEPJUHHUSA-N 2 0 239.363 0.572 20 0 BCADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)C1C[NH2+]C1 ZINC000336114254 134087693 /nfs/dbraw/zinc/08/76/93/134087693.db2.gz QKGBMELNUYGYOY-CYBMUJFWSA-N 2 0 245.326 0.209 20 0 BCADRP CC[C@@]1(C(=O)N2CC[C@@](C)(C[NH3+])C2)CCC[NH2+]1 ZINC000336125208 134092584 /nfs/dbraw/zinc/09/25/84/134092584.db2.gz MCXYUVJVCXZPGH-STQMWFEESA-N 2 0 239.363 0.716 20 0 BCADRP CC(C)NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336128114 134093624 /nfs/dbraw/zinc/09/36/24/134093624.db2.gz OCXVMFGKRIKKQJ-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)C1CC([NH3+])C1 ZINC000336211995 134134623 /nfs/dbraw/zinc/13/46/23/134134623.db2.gz BOPIGSDIWFYOOC-JYBOHDQNSA-N 2 0 239.363 0.807 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C2([NH3+])CCC2)C[N@@H+]1C1CC1 ZINC000336213117 134135486 /nfs/dbraw/zinc/13/54/86/134135486.db2.gz CVVVXOIPVGCNDZ-ZJUUUORDSA-N 2 0 237.347 0.609 20 0 BCADRP C[C@@]1(CNC(=O)C2([NH3+])CCC2)CCC[NH2+]C1 ZINC000336213775 134135793 /nfs/dbraw/zinc/13/57/93/134135793.db2.gz DOILYZZHDWFJRL-LLVKDONJSA-N 2 0 225.336 0.374 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)C[NH+](C)C)CC1 ZINC000167932355 134154879 /nfs/dbraw/zinc/15/48/79/134154879.db2.gz LSGVEFBGIDKSCC-VIFPVBQESA-N 2 0 213.325 0.134 20 0 BCADRP C[NH+](C)CC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000167926915 134155111 /nfs/dbraw/zinc/15/51/11/134155111.db2.gz YZJSWRVFSBDBRT-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP COC[C@@H]([NH2+]CCOCC[NH+](C)C)C(C)C ZINC000219323353 134281193 /nfs/dbraw/zinc/28/11/93/134281193.db2.gz SCSJCWHXRIXKHO-GFCCVEGCSA-N 2 0 232.368 0.825 20 0 BCADRP CC[NH+](CC)CCNC(=O)N(C)CC[NH+](C)C ZINC000176130535 134290386 /nfs/dbraw/zinc/29/03/86/134290386.db2.gz NUOUHGAENKQRCY-UHFFFAOYSA-N 2 0 244.383 0.531 20 0 BCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN(C)C ZINC000176307052 134290869 /nfs/dbraw/zinc/29/08/69/134290869.db2.gz QEMLASYAVXSVAQ-NEPJUHHUSA-N 2 0 239.363 0.633 20 0 BCADRP COC[C@H](C)[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000219861129 134291983 /nfs/dbraw/zinc/29/19/83/134291983.db2.gz SMTMZPJSEROMGV-QWRGUYRKSA-N 2 0 200.326 0.953 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000178405569 134309970 /nfs/dbraw/zinc/30/99/70/134309970.db2.gz GDUUSLGEPDFXJU-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP [NH3+][C@H](C(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000178406674 134310019 /nfs/dbraw/zinc/31/00/19/134310019.db2.gz PNNFGEYLGNZUBU-RYUDHWBXSA-N 2 0 233.315 0.555 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000178405853 134310034 /nfs/dbraw/zinc/31/00/34/134310034.db2.gz YJUGMYDVEXJGED-BJDJZHNGSA-N 2 0 239.363 0.761 20 0 BCADRP CCCN(C(=O)[C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000178408149 134310067 /nfs/dbraw/zinc/31/00/67/134310067.db2.gz OJASABYMVQRIAE-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[C@@H]1C(=O)NCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178972231 134313900 /nfs/dbraw/zinc/31/39/00/134313900.db2.gz HAFWGRZPOVCBQR-GFCCVEGCSA-N 2 0 239.363 0.442 20 0 BCADRP CNC(=O)[C@@H](C)C[N@H+](C)CC1CC[NH2+]CC1 ZINC000178977005 134314045 /nfs/dbraw/zinc/31/40/45/134314045.db2.gz FWCMCGIEMLGNKP-JTQLQIEISA-N 2 0 227.352 0.300 20 0 BCADRP CNC(=O)[C@H](C)C[N@H+](C)CC1CC[NH2+]CC1 ZINC000178977013 134314212 /nfs/dbraw/zinc/31/42/12/134314212.db2.gz FWCMCGIEMLGNKP-SNVBAGLBSA-N 2 0 227.352 0.300 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000178809376 134315001 /nfs/dbraw/zinc/31/50/01/134315001.db2.gz QTVGYDGTBUBDEG-QWRGUYRKSA-N 2 0 225.336 0.278 20 0 BCADRP C[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000178815597 134315545 /nfs/dbraw/zinc/31/55/45/134315545.db2.gz HSDPWMBBRFGBOA-ZJUUUORDSA-N 2 0 213.325 0.147 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C[NH2+]C)C1 ZINC000178838565 134315614 /nfs/dbraw/zinc/31/56/14/134315614.db2.gz SPQPQRHEZKMQRB-RYUDHWBXSA-N 2 0 241.379 0.642 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)C[NH2+]C)C1 ZINC000178838575 134315657 /nfs/dbraw/zinc/31/56/57/134315657.db2.gz SPQPQRHEZKMQRB-NWDGAFQWSA-N 2 0 241.379 0.642 20 0 BCADRP CC[C@]1(C(=O)NCC[NH+]2CCCC2)CCC[NH2+]1 ZINC000179871230 134324515 /nfs/dbraw/zinc/32/45/15/134324515.db2.gz XNJBNVGXDQDJOI-CYBMUJFWSA-N 2 0 239.363 0.731 20 0 BCADRP O[C@]1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCOC1 ZINC000222418876 134331908 /nfs/dbraw/zinc/33/19/08/134331908.db2.gz VCUGZOOXABFCSJ-UPJWGTAASA-N 2 0 240.347 0.354 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000180897525 134332192 /nfs/dbraw/zinc/33/21/92/134332192.db2.gz OWVGIEPDCROBPU-CMPLNLGQSA-N 2 0 227.352 0.490 20 0 BCADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000222641841 134333527 /nfs/dbraw/zinc/33/35/27/134333527.db2.gz ZQEHKRIHNVRDCK-IJLUTSLNSA-N 2 0 230.352 0.456 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)CCO1 ZINC000223194418 134337322 /nfs/dbraw/zinc/33/73/22/134337322.db2.gz JBXFIPIRNLQZAK-GRYCIOLGSA-N 2 0 230.352 0.456 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224022698 134344434 /nfs/dbraw/zinc/34/44/34/134344434.db2.gz NELSQUQBGKDPMQ-QJPTWQEYSA-N 2 0 230.352 0.456 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000224910423 134350520 /nfs/dbraw/zinc/35/05/20/134350520.db2.gz BWOWLWYCQMICCU-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000226081452 134358372 /nfs/dbraw/zinc/35/83/72/134358372.db2.gz XXJBMHGTUZTWIT-VHSXEESVSA-N 2 0 245.392 0.277 20 0 BCADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)CC(N)=O)CC1 ZINC000226313334 134360196 /nfs/dbraw/zinc/36/01/96/134360196.db2.gz LQIWPUORTMXDJG-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184225024 134361000 /nfs/dbraw/zinc/36/10/00/134361000.db2.gz TZISUVWTZOQCJZ-GFCCVEGCSA-N 2 0 249.358 0.829 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226403932 134365479 /nfs/dbraw/zinc/36/54/79/134365479.db2.gz SRNWKKZHIHTUGT-YFKTTZPYSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226868791 134370304 /nfs/dbraw/zinc/37/03/04/134370304.db2.gz VVILLYPXRWIEPG-DCAQKATOSA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226867559 134370621 /nfs/dbraw/zinc/37/06/21/134370621.db2.gz SRNWKKZHIHTUGT-BJDJZHNGSA-N 2 0 241.379 0.959 20 0 BCADRP Cn1ccc(C[NH2+]CCOCC[NH+](C)C)c1 ZINC000226744684 134371096 /nfs/dbraw/zinc/37/10/96/134371096.db2.gz MJHZQWLLKDKMQX-UHFFFAOYSA-N 2 0 225.336 0.693 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185174614 134372524 /nfs/dbraw/zinc/37/25/24/134372524.db2.gz WEXQVIXYAIJQQY-LNFKQOIKSA-N 2 0 239.363 0.556 20 0 BCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)CC[NH3+])CC[C@H]21 ZINC000227331376 134377949 /nfs/dbraw/zinc/37/79/49/134377949.db2.gz GTZIJQLXKYWIIZ-WDEREUQCSA-N 2 0 225.336 0.278 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062860051 134450874 /nfs/dbraw/zinc/45/08/74/134450874.db2.gz ZYXAOJGAXPUAHJ-DGCLKSJQSA-N 2 0 241.379 0.833 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H](C)C[NH2+]C ZINC000230711956 134533928 /nfs/dbraw/zinc/53/39/28/134533928.db2.gz LTPBIAKBJGPNAO-LLVKDONJSA-N 2 0 229.368 0.642 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000234703606 134583132 /nfs/dbraw/zinc/58/31/32/134583132.db2.gz NBZHROQVAUYCBM-GARJFASQSA-N 2 0 230.352 0.489 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000049559644 134634668 /nfs/dbraw/zinc/63/46/68/134634668.db2.gz WRWNVRNSRAFWKE-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP CNC(=[NH2+])NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000052020051 134693932 /nfs/dbraw/zinc/69/39/32/134693932.db2.gz OFQLOXNVORPDTC-PBINXNQUSA-N 2 0 210.325 0.603 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000136808422 134778532 /nfs/dbraw/zinc/77/85/32/134778532.db2.gz ZFLCDEUJIPBFPY-QWRGUYRKSA-N 2 0 237.347 0.230 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195232609 134837938 /nfs/dbraw/zinc/83/79/38/134837938.db2.gz LSQXFKGRCPBILB-ZNSHCXBVSA-N 2 0 225.336 0.038 20 0 BCADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(N)=[NH2+])C1 ZINC000303265084 134861823 /nfs/dbraw/zinc/86/18/23/134861823.db2.gz TXLYGQJTLYSQEW-UWVGGRQHSA-N 2 0 212.341 0.837 20 0 BCADRP CS(=O)(=O)CCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070543157 134920636 /nfs/dbraw/zinc/92/06/36/134920636.db2.gz DIFQVULFAWDAPL-NSHDSACASA-N 2 0 248.392 0.482 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000248627933 135016661 /nfs/dbraw/zinc/01/66/61/135016661.db2.gz OMFLQKLKNVKDOB-PREPNJAASA-N 2 0 237.347 0.310 20 0 BCADRP CNC(=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250362384 135052567 /nfs/dbraw/zinc/05/25/67/135052567.db2.gz DEUJFZIJLSHDON-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C[NH3+])C(C)C)C1 ZINC000250370628 135053191 /nfs/dbraw/zinc/05/31/91/135053191.db2.gz VPKIBRHVOYGNAQ-NWDGAFQWSA-N 2 0 241.379 0.818 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C[NH3+])C(C)C)C1 ZINC000250392112 135053504 /nfs/dbraw/zinc/05/35/04/135053504.db2.gz YFKAYFBHZIUWDY-VXGBXAGGSA-N 2 0 241.379 0.675 20 0 BCADRP C[C@H](O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251198566 135065707 /nfs/dbraw/zinc/06/57/07/135065707.db2.gz KFNZBTPDCRCACF-SRVKXCTJSA-N 2 0 212.337 0.974 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251309869 135068030 /nfs/dbraw/zinc/06/80/30/135068030.db2.gz JVHKYINWXHRIJD-RYUDHWBXSA-N 2 0 239.363 0.524 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000086435577 135084044 /nfs/dbraw/zinc/08/40/44/135084044.db2.gz AURJQIBNXXKPOF-MNOVXSKESA-N 2 0 214.309 0.215 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252137363 135085063 /nfs/dbraw/zinc/08/50/63/135085063.db2.gz MSNJCURMHZQZBY-BBBLOLIVSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1COCCO1 ZINC000252385814 135087448 /nfs/dbraw/zinc/08/74/48/135087448.db2.gz KMEHOFPZBWQXGE-NDBYEHHHSA-N 2 0 242.363 0.720 20 0 BCADRP Cn1cccc1CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252661547 135093955 /nfs/dbraw/zinc/09/39/55/135093955.db2.gz LYMSDGURTDUHSM-KBPBESRZSA-N 2 0 249.358 0.978 20 0 BCADRP C[C@H](O)CC[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000252688109 135097177 /nfs/dbraw/zinc/09/71/77/135097177.db2.gz NFEATJYFRUDVGC-QWRGUYRKSA-N 2 0 200.326 0.689 20 0 BCADRP C[C@@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000252714825 135101864 /nfs/dbraw/zinc/10/18/64/135101864.db2.gz TUTPJNIVOOPGBE-WOPDTQHZSA-N 2 0 213.369 0.866 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000252730512 135103716 /nfs/dbraw/zinc/10/37/16/135103716.db2.gz LRKZTIXDQOWGIK-JHJVBQTASA-N 2 0 241.379 0.247 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000261598977 135110028 /nfs/dbraw/zinc/11/00/28/135110028.db2.gz ZQOBMEBPKTYWMB-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP C[C@@H](C(=O)NC[C@H](C)[NH+](C)C)[C@H](C)[NH3+] ZINC000252882731 135115519 /nfs/dbraw/zinc/11/55/19/135115519.db2.gz ZRTNETCKATYCIT-YIZRAAEISA-N 2 0 201.314 0.036 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262367798 135117806 /nfs/dbraw/zinc/11/78/06/135117806.db2.gz LIGJQMZWXRHVAE-ONGXEEELSA-N 2 0 245.392 0.135 20 0 BCADRP CC[C@H](CCO)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000253020444 135119215 /nfs/dbraw/zinc/11/92/15/135119215.db2.gz JSJHVWVLQDSCIE-HBNTYKKESA-N 2 0 200.326 0.864 20 0 BCADRP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000253096456 135121308 /nfs/dbraw/zinc/12/13/08/135121308.db2.gz LVPZPOVTFMCQDN-VPOLOUISSA-N 2 0 212.337 0.863 20 0 BCADRP C[NH2+]CCC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000258791995 135134372 /nfs/dbraw/zinc/13/43/72/135134372.db2.gz MMMYMVXJXDZPPK-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C1CC[NH+](C)CC1 ZINC000259166701 135137228 /nfs/dbraw/zinc/13/72/28/135137228.db2.gz NTWGHYXCOFUMCX-UHFFFAOYSA-N 2 0 241.379 0.772 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000087471643 135141367 /nfs/dbraw/zinc/14/13/67/135141367.db2.gz PFCZFHZAOGUEOG-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH+]1CCC(C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000259321989 135142654 /nfs/dbraw/zinc/14/26/54/135142654.db2.gz XJVBTCYEFVQKIY-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000260219632 135147692 /nfs/dbraw/zinc/14/76/92/135147692.db2.gz VZGYLIOQWPEORO-VXGBXAGGSA-N 2 0 240.347 0.966 20 0 BCADRP COC(=O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000260382371 135148467 /nfs/dbraw/zinc/14/84/67/135148467.db2.gz OBRZBDQURZGDTN-NSHDSACASA-N 2 0 228.336 0.966 20 0 BCADRP Cc1cnn(CCN(C)[C@@H]2CC[NH2+]C2)c1 ZINC000261529534 135156091 /nfs/dbraw/zinc/15/60/91/135156091.db2.gz AYZKRFHYOSJLKR-LLVKDONJSA-N 2 0 208.309 0.485 20 0 BCADRP CCOC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000261530174 135157565 /nfs/dbraw/zinc/15/75/65/135157565.db2.gz XPVVRBQCGRBEDU-VWYCJHECSA-N 2 0 200.326 0.999 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000261530261 135157729 /nfs/dbraw/zinc/15/77/29/135157729.db2.gz CCXWOSVGSYBAKA-RYUDHWBXSA-N 2 0 212.337 0.954 20 0 BCADRP OC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC[NH2+]C1 ZINC000087647881 135160661 /nfs/dbraw/zinc/16/06/61/135160661.db2.gz CIMGCWGBTFIFHF-FKJOKYEKSA-N 2 0 224.348 0.974 20 0 BCADRP OCC[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261531871 135161786 /nfs/dbraw/zinc/16/17/86/135161786.db2.gz IDOWZMWRFKOQTN-LBPRGKRZSA-N 2 0 212.337 0.833 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])C(C)C ZINC000261532472 135162692 /nfs/dbraw/zinc/16/26/92/135162692.db2.gz AITLKUFBWTZSAA-UWVGGRQHSA-N 2 0 215.341 0.603 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000261533440 135164971 /nfs/dbraw/zinc/16/49/71/135164971.db2.gz AZRWBTGADCLZKD-RKDXNWHRSA-N 2 0 215.341 0.474 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000261539258 135177636 /nfs/dbraw/zinc/17/76/36/135177636.db2.gz BYKUPXSJIBEBPF-PSASIEDQSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H]1CN(C)CCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000261539695 135178463 /nfs/dbraw/zinc/17/84/63/135178463.db2.gz BBAWGDPLNDEZJP-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261540041 135178973 /nfs/dbraw/zinc/17/89/73/135178973.db2.gz DCOLRPRIGZQOBA-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H]1O ZINC000261539795 135179000 /nfs/dbraw/zinc/17/90/00/135179000.db2.gz DDTZQKOGGKUYAH-RYUDHWBXSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@H]1NCC[N@H+](CC2CC[NH2+]CC2)[C@@H]1C ZINC000261541468 135180671 /nfs/dbraw/zinc/18/06/71/135180671.db2.gz GADIZCQTGUNUAJ-GHMZBOCLSA-N 2 0 211.353 0.668 20 0 BCADRP CNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261541067 135180986 /nfs/dbraw/zinc/18/09/86/135180986.db2.gz JECWZALUGMHDSD-NWDGAFQWSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]1NCC[N@H+](CC2CC[NH2+]CC2)[C@H]1C ZINC000261541470 135181360 /nfs/dbraw/zinc/18/13/60/135181360.db2.gz GADIZCQTGUNUAJ-QWRGUYRKSA-N 2 0 211.353 0.668 20 0 BCADRP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCOC1 ZINC000261541984 135182161 /nfs/dbraw/zinc/18/21/61/135182161.db2.gz GFXQQFIBKDJPIF-UTUOFQBUSA-N 2 0 210.321 0.564 20 0 BCADRP C[NH2+]C[C@H]1CCCN1CC1CC[NH2+]CC1 ZINC000261542903 135183297 /nfs/dbraw/zinc/18/32/97/135183297.db2.gz HFBJQLKERFUKNA-GFCCVEGCSA-N 2 0 211.353 0.670 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000261543102 135183981 /nfs/dbraw/zinc/18/39/81/135183981.db2.gz HKYJNQMILAJGFH-GXSJLCMTSA-N 2 0 215.341 0.603 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000261544157 135185668 /nfs/dbraw/zinc/18/56/68/135185668.db2.gz XHCJYEMXDPKYJV-WDEREUQCSA-N 2 0 241.379 0.688 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000261550818 135190169 /nfs/dbraw/zinc/19/01/69/135190169.db2.gz PSSIZZBJPDSDNC-LPEHRKFASA-N 2 0 213.325 0.051 20 0 BCADRP CC1(C)C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1O ZINC000261551152 135190264 /nfs/dbraw/zinc/19/02/64/135190264.db2.gz QFIANAOPNFPWSO-PWSUYJOCSA-N 2 0 212.337 0.689 20 0 BCADRP OC[C@@]1(F)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261551387 135190632 /nfs/dbraw/zinc/19/06/32/135190632.db2.gz QMHAUPJGRBOEFF-LLVKDONJSA-N 2 0 216.300 0.392 20 0 BCADRP CC[C@]1(C(=O)NC[C@@H](C)[NH2+]C)CCC[NH2+]1 ZINC000261556545 135196828 /nfs/dbraw/zinc/19/68/28/135196828.db2.gz WAVWBBYAVIAHMO-MWLCHTKSSA-N 2 0 213.325 0.243 20 0 BCADRP O[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CC12CC2 ZINC000261557283 135197685 /nfs/dbraw/zinc/19/76/85/135197685.db2.gz XEIDBYMALKXECZ-GHMZBOCLSA-N 2 0 210.321 0.443 20 0 BCADRP O[C@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CC12CC2 ZINC000261557287 135197921 /nfs/dbraw/zinc/19/79/21/135197921.db2.gz XEIDBYMALKXECZ-QWRGUYRKSA-N 2 0 210.321 0.443 20 0 BCADRP COCCO[C@@H]1CCN(CC(C)(C)[NH3+])C1 ZINC000261559661 135200410 /nfs/dbraw/zinc/20/04/10/135200410.db2.gz ZEPZAFULYJRYCG-SNVBAGLBSA-N 2 0 216.325 0.461 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000261560891 135201679 /nfs/dbraw/zinc/20/16/79/135201679.db2.gz AHLIZCMHGWHKRJ-OPRDCNLKSA-N 2 0 213.325 0.132 20 0 BCADRP COCCOCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261561180 135201937 /nfs/dbraw/zinc/20/19/37/135201937.db2.gz AKWYJFLOKNJHKW-VXGBXAGGSA-N 2 0 228.336 0.191 20 0 BCADRP c1ncn(CC[N@@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000261561407 135202593 /nfs/dbraw/zinc/20/25/93/135202593.db2.gz VJRVDPAJMOTETK-UHFFFAOYSA-N 2 0 235.335 0.354 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCn1cccn1 ZINC000261562017 135203760 /nfs/dbraw/zinc/20/37/60/135203760.db2.gz AXXAZEKYKURXHU-NSHDSACASA-N 2 0 222.336 0.861 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)NCC[NH+]1CCCC1 ZINC000261562077 135203855 /nfs/dbraw/zinc/20/38/55/135203855.db2.gz VZJIREHUYWHRGW-LBPRGKRZSA-N 2 0 239.363 0.731 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000261565757 135207345 /nfs/dbraw/zinc/20/73/45/135207345.db2.gz DFLXAMYZXZAIJU-AEJSXWLSSA-N 2 0 213.325 0.084 20 0 BCADRP C[NH2+]CCC1CC[NH+](CCn2cncn2)CC1 ZINC000261565365 135207786 /nfs/dbraw/zinc/20/77/86/135207786.db2.gz YFGJCZABVQKVRF-UHFFFAOYSA-N 2 0 237.351 0.600 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000261566451 135208838 /nfs/dbraw/zinc/20/88/38/135208838.db2.gz DPEXNLCQYOQGBL-SECBINFHSA-N 2 0 215.341 0.285 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)CC[C@@H](C)[NH3+] ZINC000261573112 135215117 /nfs/dbraw/zinc/21/51/17/135215117.db2.gz IODOCWUUNZGHBS-KOLCDFICSA-N 2 0 215.341 0.603 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CC[C@@H](C)[NH3+] ZINC000261573113 135215270 /nfs/dbraw/zinc/21/52/70/135215270.db2.gz IODOCWUUNZGHBS-MWLCHTKSSA-N 2 0 215.341 0.603 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000261574122 135216034 /nfs/dbraw/zinc/21/60/34/135216034.db2.gz JCEYGDHVYGEZGS-MWLCHTKSSA-N 2 0 213.325 0.324 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)CC[C@@H](C)[NH3+] ZINC000261575051 135216657 /nfs/dbraw/zinc/21/66/57/135216657.db2.gz JOIHYONTAGUCIP-SECBINFHSA-N 2 0 215.341 0.748 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000261577350 135218397 /nfs/dbraw/zinc/21/83/97/135218397.db2.gz LBGOMQGPFSUKBW-YWVKMMECSA-N 2 0 215.341 0.459 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000261577302 135218457 /nfs/dbraw/zinc/21/84/57/135218457.db2.gz KYFPEBCMPZFZOY-LPEHRKFASA-N 2 0 215.341 0.603 20 0 BCADRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000261585203 135225858 /nfs/dbraw/zinc/22/58/58/135225858.db2.gz SUSLLKCFJBQPPW-CQSZACIVSA-N 2 0 247.342 0.956 20 0 BCADRP CN1C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1=O ZINC000261584547 135225997 /nfs/dbraw/zinc/22/59/97/135225997.db2.gz PXXUYJCUVGVEAK-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164396980 135226121 /nfs/dbraw/zinc/22/61/21/135226121.db2.gz HTQUOXWJHNSQIV-AXFHLTTASA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1CCOCC[NH3+] ZINC000261588866 135229381 /nfs/dbraw/zinc/22/93/81/135229381.db2.gz SRPVUFAECBQFQJ-QWRGUYRKSA-N 2 0 215.341 0.163 20 0 BCADRP C[C@@H]([NH3+])CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000261591686 135232088 /nfs/dbraw/zinc/23/20/88/135232088.db2.gz VMDBDEWNDUFIPB-PWSUYJOCSA-N 2 0 211.353 0.655 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000261591119 135232091 /nfs/dbraw/zinc/23/20/91/135232091.db2.gz VBQALCPADZHATO-FXBDTBDDSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000261592419 135233022 /nfs/dbraw/zinc/23/30/22/135233022.db2.gz VVOFFSWQXRWWRB-IQJOONFLSA-N 2 0 213.325 0.357 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)C[NH3+] ZINC000261593147 135233859 /nfs/dbraw/zinc/23/38/59/135233859.db2.gz WQUVXWLNNVJBPO-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000261595750 135236009 /nfs/dbraw/zinc/23/60/09/135236009.db2.gz YKGXWAKKDVVGJX-UTLUCORTSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000261547090 135239432 /nfs/dbraw/zinc/23/94/32/135239432.db2.gz LUJVSUVQHUJLFG-UTINFBMNSA-N 2 0 213.325 0.179 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C[C@@H]1CCC[NH2+]C1 ZINC000261547037 135239469 /nfs/dbraw/zinc/23/94/69/135239469.db2.gz LPZUZZDKHVJOHQ-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000261547766 135241292 /nfs/dbraw/zinc/24/12/92/135241292.db2.gz MSJKLBRGOSXPHI-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@H](C)[NH2+]1 ZINC000261661184 135243629 /nfs/dbraw/zinc/24/36/29/135243629.db2.gz ASHQEWKEBXJEQJ-WHOHXGKFSA-N 2 0 239.363 0.713 20 0 BCADRP CCN1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261674809 135245480 /nfs/dbraw/zinc/24/54/80/135245480.db2.gz GKYPZMLBVVELQD-NWDGAFQWSA-N 2 0 239.363 0.668 20 0 BCADRP C(NC1=[NH+]CCCN1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261685930 135246057 /nfs/dbraw/zinc/24/60/57/135246057.db2.gz AOKWBUVNCZEWKK-JTQLQIEISA-N 2 0 222.336 0.410 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000261688061 135246205 /nfs/dbraw/zinc/24/62/05/135246205.db2.gz BXJHNERMHZBGAJ-NWDGAFQWSA-N 2 0 239.363 0.668 20 0 BCADRP CN(C(=O)[C@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261700434 135246753 /nfs/dbraw/zinc/24/67/53/135246753.db2.gz LLGQFHPWPWMOGV-VXGBXAGGSA-N 2 0 237.347 0.434 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](C)[NH3+])C1 ZINC000261719308 135247318 /nfs/dbraw/zinc/24/73/18/135247318.db2.gz FBBPYJLETUVEEI-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+]1CCC(CCNC2=[NH+]CCCN2)CC1 ZINC000261719981 135247695 /nfs/dbraw/zinc/24/76/95/135247695.db2.gz FSTUYAVOGLJSFW-UHFFFAOYSA-N 2 0 224.352 0.657 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000084419808 135248723 /nfs/dbraw/zinc/24/87/23/135248723.db2.gz LCWCOYLCXJVALA-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000084419807 135248731 /nfs/dbraw/zinc/24/87/31/135248731.db2.gz LCWCOYLCXJVALA-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@]1(C(N)=O)CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261772830 135251670 /nfs/dbraw/zinc/25/16/70/135251670.db2.gz MWNFWAOEOSJXDL-NWDGAFQWSA-N 2 0 225.336 0.183 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)[NH3+])C1 ZINC000261844330 135256799 /nfs/dbraw/zinc/25/67/99/135256799.db2.gz OFAYVVKKPLQECM-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H](C)[NH3+])C1 ZINC000261844333 135256822 /nfs/dbraw/zinc/25/68/22/135256822.db2.gz OFAYVVKKPLQECM-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@]1(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)CC[NH2+]C1 ZINC000261872699 135259103 /nfs/dbraw/zinc/25/91/03/135259103.db2.gz PGJWQQLNNDEEQB-XQQFMLRXSA-N 2 0 223.364 0.670 20 0 BCADRP [NH3+]C[C@H](C(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000261886851 135259996 /nfs/dbraw/zinc/25/99/96/135259996.db2.gz BJLNRJRLPLFFCC-STQMWFEESA-N 2 0 247.342 0.582 20 0 BCADRP [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261892302 135260737 /nfs/dbraw/zinc/26/07/37/135260737.db2.gz CLTQBLJWDYORFS-CHWSQXEVSA-N 2 0 247.342 0.410 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261900091 135260790 /nfs/dbraw/zinc/26/07/90/135260790.db2.gz YVSGLVHKLAHNFD-WCABBAIRSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000261899653 135261169 /nfs/dbraw/zinc/26/11/69/135261169.db2.gz UVENNRBTZBHIBE-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000261909729 135261459 /nfs/dbraw/zinc/26/14/59/135261459.db2.gz GKRUBNJKGRRDBJ-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H](C(=O)NC[C@@H]([NH3+])C1CC1)[NH+](CC)CC ZINC000261925210 135263388 /nfs/dbraw/zinc/26/33/88/135263388.db2.gz JXPCGOXLPGZINK-VXGBXAGGSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000261923318 135263869 /nfs/dbraw/zinc/26/38/69/135263869.db2.gz BWGQOWNSNDRGCL-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP OCC[C@H]1CSCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261937026 135264048 /nfs/dbraw/zinc/26/40/48/135264048.db2.gz MGLZHRCJFYTOHM-RYUDHWBXSA-N 2 0 244.404 0.786 20 0 BCADRP C[C@@H](CN1CCOCC1)N(C)CC(C)(C)[NH3+] ZINC000261965472 135267373 /nfs/dbraw/zinc/26/73/73/135267373.db2.gz PTFRIHANESKAEH-NSHDSACASA-N 2 0 229.368 0.376 20 0 BCADRP [NH3+][C@@H](CC(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000261996370 135270469 /nfs/dbraw/zinc/27/04/69/135270469.db2.gz ZFMAJPBWQAJXGK-QWHCGFSZSA-N 2 0 247.342 0.930 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262005278 135271233 /nfs/dbraw/zinc/27/12/33/135271233.db2.gz LSEWAZVWZQDMLY-ZYHUDNBSSA-N 2 0 226.320 0.481 20 0 BCADRP CCN1CCC[N@H+](CC2CC[NH2+]CC2)CC1=O ZINC000262013889 135272736 /nfs/dbraw/zinc/27/27/36/135272736.db2.gz VKKVQXKMYQDJLT-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000262018892 135273188 /nfs/dbraw/zinc/27/31/88/135273188.db2.gz VYGZNRASHNEGPF-GXSJLCMTSA-N 2 0 225.336 0.100 20 0 BCADRP CN(C)[C@@H](C(=O)NCC1C[NH2+]C1)c1ccccc1 ZINC000262029088 135273596 /nfs/dbraw/zinc/27/35/96/135273596.db2.gz NWPRNFGWMMTUNX-CYBMUJFWSA-N 2 0 247.342 0.625 20 0 BCADRP C[C@]1(C[N@@H+]2CCCC[C@H]2CC(N)=O)CC[NH2+]C1 ZINC000262064584 135277128 /nfs/dbraw/zinc/27/71/28/135277128.db2.gz RMLDTVJZYZRGLP-AAEUAGOBSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@]1(C[N@@H+]2CCC[C@H](CC(N)=O)C2)CC[NH2+]C1 ZINC000262075430 135277446 /nfs/dbraw/zinc/27/74/46/135277446.db2.gz SODZOHCUBWVQPD-DGCLKSJQSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262143843 135281619 /nfs/dbraw/zinc/28/16/19/135281619.db2.gz FGAGFYRIBOJBFC-SNVBAGLBSA-N 2 0 225.336 0.420 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000262166995 135282725 /nfs/dbraw/zinc/28/27/25/135282725.db2.gz UMOLVRXRLRLZBZ-IVZWLZJFSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262178071 135283916 /nfs/dbraw/zinc/28/39/16/135283916.db2.gz WFMOUWWEYKYKMI-FRRDWIJNSA-N 2 0 223.364 0.622 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC1=[NH+]CCCN1 ZINC000262199479 135285271 /nfs/dbraw/zinc/28/52/71/135285271.db2.gz ZZZSOWBTSUXAFB-SNVBAGLBSA-N 2 0 212.341 0.656 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262227171 135286265 /nfs/dbraw/zinc/28/62/65/135286265.db2.gz NHBMSIGPEBSQFP-SNVBAGLBSA-N 2 0 225.336 0.278 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C2C[NH2+]C2)C1 ZINC000262225858 135286545 /nfs/dbraw/zinc/28/65/45/135286545.db2.gz LGKYFJFEXHVCAQ-JTQLQIEISA-N 2 0 225.336 0.006 20 0 BCADRP C(C1CC[NH2+]CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000262238453 135287165 /nfs/dbraw/zinc/28/71/65/135287165.db2.gz OVTOZOVYGNJNKJ-ZDUSSCGKSA-N 2 0 223.364 0.812 20 0 BCADRP C[C@@H](C(=O)N1CC[NH+](C2CCC2)CC1)[C@H](C)[NH3+] ZINC000262266769 135288840 /nfs/dbraw/zinc/28/88/40/135288840.db2.gz RZFKCVWEAAEDQT-MNOVXSKESA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342576634 135291473 /nfs/dbraw/zinc/29/14/73/135291473.db2.gz AHFZPAREJCQFTK-YPMHNXCESA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000262291786 135291531 /nfs/dbraw/zinc/29/15/31/135291531.db2.gz YQNMPUBZVMPMNP-JTQLQIEISA-N 2 0 227.352 0.749 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000262307065 135292133 /nfs/dbraw/zinc/29/21/33/135292133.db2.gz CLBCUNWJDZJVNN-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000262307062 135292142 /nfs/dbraw/zinc/29/21/42/135292142.db2.gz CLBCUNWJDZJVNN-GRYCIOLGSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262311959 135292328 /nfs/dbraw/zinc/29/23/28/135292328.db2.gz AORNJXXYUCFUOE-SDDRHHMPSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000262307063 135292380 /nfs/dbraw/zinc/29/23/80/135292380.db2.gz CLBCUNWJDZJVNN-IJLUTSLNSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]CCC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000262304520 135292471 /nfs/dbraw/zinc/29/24/71/135292471.db2.gz CAKGYDYCTQQQNE-TXEJJXNPSA-N 2 0 241.379 0.975 20 0 BCADRP [NH3+]C[C@@H](C(=O)NCC1([NH3+])CCC1)c1ccccc1 ZINC000342584174 135292700 /nfs/dbraw/zinc/29/27/00/135292700.db2.gz HZQBBBZXOHOGIO-GFCCVEGCSA-N 2 0 247.342 0.727 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262321667 135293248 /nfs/dbraw/zinc/29/32/48/135293248.db2.gz FGSYRPWUKLAPDE-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000262336169 135293571 /nfs/dbraw/zinc/29/35/71/135293571.db2.gz HGWJTYRQXKABDG-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262425476 135295999 /nfs/dbraw/zinc/29/59/99/135295999.db2.gz SFGJHJPUQLUNEX-GXFFZTMASA-N 2 0 247.342 0.584 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262367795 135297771 /nfs/dbraw/zinc/29/77/71/135297771.db2.gz LIGJQMZWXRHVAE-KOLCDFICSA-N 2 0 245.392 0.135 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000262394736 135298574 /nfs/dbraw/zinc/29/85/74/135298574.db2.gz OSIOCCSSRVXYOR-WOPDTQHZSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)NCC[NH+](C)C)CC[N@@H+]1C ZINC000342637660 135299051 /nfs/dbraw/zinc/29/90/51/135299051.db2.gz BQOJZUOKZTZBHW-QWRGUYRKSA-N 2 0 242.367 0.330 20 0 BCADRP C[NH2+]CCC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000262440186 135299201 /nfs/dbraw/zinc/29/92/01/135299201.db2.gz UUYDLUSOKAGHSH-UHFFFAOYSA-N 2 0 249.358 0.626 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262469480 135300900 /nfs/dbraw/zinc/30/09/00/135300900.db2.gz ZNGLAMSUAQTNNC-SNVBAGLBSA-N 2 0 227.352 0.748 20 0 BCADRP [NH3+]CCCC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262466593 135300945 /nfs/dbraw/zinc/30/09/45/135300945.db2.gz YDJYATJKKBNOGF-NSHDSACASA-N 2 0 227.352 0.749 20 0 BCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC1([NH3+])CCC1 ZINC000342602644 135301872 /nfs/dbraw/zinc/30/18/72/135301872.db2.gz YPINWEXHEBHPBA-LBPRGKRZSA-N 2 0 247.342 0.554 20 0 BCADRP C[C@@H](C(=O)N[C@H](C[NH3+])C1CCCCC1)[C@H](C)[NH3+] ZINC000262491736 135302431 /nfs/dbraw/zinc/30/24/31/135302431.db2.gz XLZMCGJFRSXEDR-JFGNBEQYSA-N 2 0 241.379 0.994 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000262515493 135304249 /nfs/dbraw/zinc/30/42/49/135304249.db2.gz RMFHSQFVUOTJPI-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000262544792 135305171 /nfs/dbraw/zinc/30/51/71/135305171.db2.gz ZOCDQILURJUOOU-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000262585309 135306885 /nfs/dbraw/zinc/30/68/85/135306885.db2.gz UNAUWSQHETZEQT-NWDGAFQWSA-N 2 0 241.379 0.641 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000262586422 135307427 /nfs/dbraw/zinc/30/74/27/135307427.db2.gz SOVFRBKNRGWGGD-ZYHUDNBSSA-N 2 0 239.363 0.524 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000262591690 135307485 /nfs/dbraw/zinc/30/74/85/135307485.db2.gz UAUSDDOMGRDOTN-UHFFFAOYSA-N 2 0 229.368 0.770 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C[NH2+]CC1CC1 ZINC000262594568 135308238 /nfs/dbraw/zinc/30/82/38/135308238.db2.gz WOXRBUNNJIILEJ-UHFFFAOYSA-N 2 0 227.352 0.429 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+]CC1CC1 ZINC000262620287 135308415 /nfs/dbraw/zinc/30/84/15/135308415.db2.gz IVUPPBHSYMKQKI-RYUDHWBXSA-N 2 0 239.363 0.620 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000262617937 135308801 /nfs/dbraw/zinc/30/88/01/135308801.db2.gz ZVIYMKYKORXHKK-VHSXEESVSA-N 2 0 229.368 0.994 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000342751559 135311470 /nfs/dbraw/zinc/31/14/70/135311470.db2.gz NOOUBZUWLYYZKQ-UTUOFQBUSA-N 2 0 241.379 0.864 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000262655719 135311796 /nfs/dbraw/zinc/31/17/96/135311796.db2.gz CSDXONQYWIVISF-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000342723088 135314951 /nfs/dbraw/zinc/31/49/51/135314951.db2.gz CEIZLOWGVRZDCJ-HBNTYKKESA-N 2 0 225.336 0.324 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000262608716 135315479 /nfs/dbraw/zinc/31/54/79/135315479.db2.gz UEKFXZUHCKHSNJ-AXFHLTTASA-N 2 0 229.368 0.994 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342732728 135316907 /nfs/dbraw/zinc/31/69/07/135316907.db2.gz LTLHEFNTDAXVAK-CYBMUJFWSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)C[NH2+]CC2CC2)[C@H]1C ZINC000262779812 135318342 /nfs/dbraw/zinc/31/83/42/135318342.db2.gz LGUZXGMRDYXBRR-ZJUUUORDSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)C[C@@H]2CCC[NH2+]2)[C@H]1C ZINC000262828991 135320545 /nfs/dbraw/zinc/32/05/45/135320545.db2.gz URFRQANPOQSWRB-DCAQKATOSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000342774815 135327241 /nfs/dbraw/zinc/32/72/41/135327241.db2.gz GKEMZZQVCPUREN-TUAOUCFPSA-N 2 0 241.379 0.641 20 0 BCADRP CC[N@@H+]1CCN(C(=O)[C@H]2CC[NH+](C)C2)[C@@H](C)C1 ZINC000334294525 135341688 /nfs/dbraw/zinc/34/16/88/135341688.db2.gz TZUHMBIEZXKSNG-RYUDHWBXSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C1([NH3+])CCCCC1 ZINC000334325516 135353928 /nfs/dbraw/zinc/35/39/28/135353928.db2.gz KRGRDCQINLCVKK-WDEREUQCSA-N 2 0 239.363 0.844 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000334375021 135377351 /nfs/dbraw/zinc/37/73/51/135377351.db2.gz DHNHQCWYVKZNFN-RYUDHWBXSA-N 2 0 239.363 0.716 20 0 BCADRP C[N@H+](CCNC(=O)[C@H]1CCCCC[NH2+]1)C1CC1 ZINC000081001035 135385789 /nfs/dbraw/zinc/38/57/89/135385789.db2.gz YSZZOGVRZPJSNQ-GFCCVEGCSA-N 2 0 239.363 0.729 20 0 BCADRP COCC[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000081713809 135388513 /nfs/dbraw/zinc/38/85/13/135388513.db2.gz UVZZSXSJSPCDJM-NWDGAFQWSA-N 2 0 230.352 0.458 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335600779 135417477 /nfs/dbraw/zinc/41/74/77/135417477.db2.gz QRCXHUALZUULTE-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP [NH3+]C1(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000083834091 135457883 /nfs/dbraw/zinc/45/78/83/135457883.db2.gz KRTRQQWBHHLFFT-UHFFFAOYSA-N 2 0 225.336 0.470 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000083884168 135459408 /nfs/dbraw/zinc/45/94/08/135459408.db2.gz KXUZZRJKVNNDIN-NSHDSACASA-N 2 0 225.336 0.422 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000084186726 135466250 /nfs/dbraw/zinc/46/62/50/135466250.db2.gz IXXIJXVLMDGPRA-NSHDSACASA-N 2 0 239.363 0.811 20 0 BCADRP CC[C@H](CO)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000084215782 135467559 /nfs/dbraw/zinc/46/75/59/135467559.db2.gz WNDHGJBZHXQZDZ-MXWKQRLJSA-N 2 0 200.326 0.864 20 0 BCADRP COC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084221226 135468382 /nfs/dbraw/zinc/46/83/82/135468382.db2.gz KZNHLONFFBSLGS-GMTAPVOTSA-N 2 0 200.326 0.986 20 0 BCADRP Cc1n[nH]cc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084220126 135468539 /nfs/dbraw/zinc/46/85/39/135468539.db2.gz YTSSRANTAIDLKW-KOLCDFICSA-N 2 0 208.309 0.935 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000084382853 135470179 /nfs/dbraw/zinc/47/01/79/135470179.db2.gz LYGFCWXZJOQWON-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@]1(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CCC[NH2+]1 ZINC000343781054 135701783 /nfs/dbraw/zinc/70/17/83/135701783.db2.gz AESUMEBUEQFMSF-NTZNESFSSA-N 2 0 239.363 0.714 20 0 BCADRP COC(=O)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346825144 135975315 /nfs/dbraw/zinc/97/53/15/135975315.db2.gz LHXPAWLNTGZNDV-NSHDSACASA-N 2 0 240.347 0.871 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000335282857 136000779 /nfs/dbraw/zinc/00/07/79/136000779.db2.gz VSEXDPBAHTYZJL-WDEREUQCSA-N 2 0 223.320 0.030 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000347654173 136001621 /nfs/dbraw/zinc/00/16/21/136001621.db2.gz NDODYNJMQCYJSI-GMTAPVOTSA-N 2 0 227.352 0.748 20 0 BCADRP CC(=O)[C@](C)(O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000347751966 136011290 /nfs/dbraw/zinc/01/12/90/136011290.db2.gz RLHOGWNSOZFICX-CYBMUJFWSA-N 2 0 242.363 0.600 20 0 BCADRP CC(=O)[C@](C)(O)C[N@H+]1CC[C@H](CN(C)C)C1 ZINC000347816130 136013660 /nfs/dbraw/zinc/01/36/60/136013660.db2.gz VZPVVGBAZCLFBI-VXGBXAGGSA-N 2 0 228.336 0.210 20 0 BCADRP C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@H]1C=C[C@@H](CO)C1 ZINC000348069703 136026580 /nfs/dbraw/zinc/02/65/80/136026580.db2.gz HXWDTMBLRKGART-NDBYEHHHSA-N 2 0 224.348 0.853 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335332401 136054039 /nfs/dbraw/zinc/05/40/39/136054039.db2.gz MMXHPKAZPJJOBX-JQWIXIFHSA-N 2 0 225.336 0.326 20 0 BCADRP O=C([C@@H]1CCC[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335332406 136054140 /nfs/dbraw/zinc/05/41/40/136054140.db2.gz MQUYIFNRPKMUSV-WCQYABFASA-N 2 0 237.347 0.341 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335332402 136054264 /nfs/dbraw/zinc/05/42/64/136054264.db2.gz MMXHPKAZPJJOBX-PWSUYJOCSA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)([NH3+])C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000335345025 136065802 /nfs/dbraw/zinc/06/58/02/136065802.db2.gz FXLUMYKYBCKADF-RKDXNWHRSA-N 2 0 213.325 0.357 20 0 BCADRP CN(C(=O)CC1CC[NH2+]CC1)C1CC([NH3+])C1 ZINC000335345478 136065891 /nfs/dbraw/zinc/06/58/91/136065891.db2.gz JJYRDSQDAQDLPO-UHFFFAOYSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000335351181 136068980 /nfs/dbraw/zinc/06/89/80/136068980.db2.gz OJEHXJMNMAIFNE-STQMWFEESA-N 2 0 239.363 0.573 20 0 BCADRP [NH3+]CCNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000335358042 136074904 /nfs/dbraw/zinc/07/49/04/136074904.db2.gz IFMYKLURAWYWRB-UHFFFAOYSA-N 2 0 240.351 0.215 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCC[NH2+]CC1 ZINC000335368117 136081859 /nfs/dbraw/zinc/08/18/59/136081859.db2.gz SQVOYGUBFXWOBQ-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000335402063 136087265 /nfs/dbraw/zinc/08/72/65/136087265.db2.gz YPQFBSBGLCLBCC-NSHDSACASA-N 2 0 225.336 0.311 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CCCC1 ZINC000335397089 136093215 /nfs/dbraw/zinc/09/32/15/136093215.db2.gz UVBVLKVJTKWYQD-LBPRGKRZSA-N 2 0 237.347 0.612 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C2(C)C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000335562878 136106614 /nfs/dbraw/zinc/10/66/14/136106614.db2.gz ZNJYGAMVZVBJCL-NXEZZACHSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C2(C)C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000335562879 136106653 /nfs/dbraw/zinc/10/66/53/136106653.db2.gz ZNJYGAMVZVBJCL-UWVGGRQHSA-N 2 0 237.347 0.337 20 0 BCADRP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCOC3)C2)C1 ZINC000335570787 136109462 /nfs/dbraw/zinc/10/94/62/136109462.db2.gz IFMVLEMKXORSFT-VXGBXAGGSA-N 2 0 210.321 0.803 20 0 BCADRP O=C([C@@H]1CC[NH2+]C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000062114961 397732526 /nfs/dbraw/zinc/73/25/26/397732526.db2.gz CABVEDSRXGRLAV-NEPJUHHUSA-N 2 0 237.347 0.293 20 0 BCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1([NH3+])CC1 ZINC000165319063 397750188 /nfs/dbraw/zinc/75/01/88/397750188.db2.gz DOONSTRLXOKLLF-JTQLQIEISA-N 2 0 225.336 0.278 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@H]([NH3+])CC(C)C ZINC000647540416 397782782 /nfs/dbraw/zinc/78/27/82/397782782.db2.gz PRIYGOXDNZFWRJ-SRVKXCTJSA-N 2 0 231.359 0.992 20 0 BCADRP C[C@@H]1C[C@H](N(C)C(=O)CCC[NH3+])CC[N@@H+]1C ZINC000178816105 397847793 /nfs/dbraw/zinc/84/77/93/397847793.db2.gz SMDSNDWVJDQHSV-GHMZBOCLSA-N 2 0 227.352 0.666 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)C2([NH3+])CC2)c1 ZINC000390402802 397888921 /nfs/dbraw/zinc/88/89/21/397888921.db2.gz AJXQAIHJELUOBR-UHFFFAOYSA-N 2 0 205.261 0.575 20 0 BCADRP C[N@H+](C[C@@H]1CCC(=O)N1)C[C@H]1CCC[NH+](C)C1 ZINC000649539558 397933228 /nfs/dbraw/zinc/93/32/28/397933228.db2.gz ZHYMTDOJCNFXOQ-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000383194894 397960456 /nfs/dbraw/zinc/96/04/56/397960456.db2.gz VFRGEBJZMQYDSL-ZJUUUORDSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+]CC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000083914419 322861564 /nfs/dbraw/zinc/86/15/64/322861564.db2.gz ZFLPWDAIBPFTTH-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@H+](C)CC ZINC000054132966 397903300 /nfs/dbraw/zinc/90/33/00/397903300.db2.gz SOSFHJFTKIUKQD-ZJUUUORDSA-N 2 0 215.341 0.428 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000054132958 397903396 /nfs/dbraw/zinc/90/33/96/397903396.db2.gz HEOILELZAWIOEI-SECBINFHSA-N 2 0 215.341 0.428 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000382965269 397911395 /nfs/dbraw/zinc/91/13/95/397911395.db2.gz PUVXNAKOQUIRLR-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CCC(C)(C)[NH3+])CC[NH2+]1 ZINC000648128526 397924715 /nfs/dbraw/zinc/92/47/15/397924715.db2.gz WYYMKWBJZKYCDZ-ZJUUUORDSA-N 2 0 227.352 0.761 20 0 BCADRP C[NH2+][C@@H](C)Cc1noc(C[C@@H]2CCC[C@H]2[NH3+])n1 ZINC000650228358 397997430 /nfs/dbraw/zinc/99/74/30/397997430.db2.gz XGRQJILOCQRNQY-LPEHRKFASA-N 2 0 238.335 0.890 20 0 BCADRP C[NH+]1CCC[C@@H]1CN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000649616237 397997991 /nfs/dbraw/zinc/99/79/91/397997991.db2.gz GUJARTOPKBMCGI-XQQFMLRXSA-N 2 0 223.364 0.717 20 0 BCADRP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372909970 398007562 /nfs/dbraw/zinc/00/75/62/398007562.db2.gz HWLGOJFLKYKOFL-GRYCIOLGSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953111 398010013 /nfs/dbraw/zinc/01/00/13/398010013.db2.gz BUIXWNYACCSGJX-KOLCDFICSA-N 2 0 225.336 0.324 20 0 BCADRP CN(C(=O)CCCC[NH3+])[C@@H]1C[NH+]2CCC1CC2 ZINC000383861228 398046698 /nfs/dbraw/zinc/04/66/98/398046698.db2.gz YXHSJPGYZNQPID-GFCCVEGCSA-N 2 0 239.363 0.668 20 0 BCADRP C[NH2+]CCCNC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000418305320 398029282 /nfs/dbraw/zinc/02/92/82/398029282.db2.gz HOJQGWDNXCKVEU-LLVKDONJSA-N 2 0 244.383 0.611 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000637845693 398029757 /nfs/dbraw/zinc/02/97/57/398029757.db2.gz BSMXBUSCZDHXPX-WDEREUQCSA-N 2 0 229.368 0.849 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000564950708 398048842 /nfs/dbraw/zinc/04/88/42/398048842.db2.gz LGOYKXJHZZECTP-UTLUCORTSA-N 2 0 213.325 0.357 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418316763 398032967 /nfs/dbraw/zinc/03/29/67/398032967.db2.gz ZRXUVFZSERHMJO-WDEREUQCSA-N 2 0 242.367 0.413 20 0 BCADRP [NH3+]C1CCC(NC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000383680916 398034845 /nfs/dbraw/zinc/03/48/45/398034845.db2.gz QTFNFXZLYFTYSM-CXQJBGSLSA-N 2 0 239.363 0.905 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)NCC[NH3+])CC1 ZINC000221688645 398049203 /nfs/dbraw/zinc/04/92/03/398049203.db2.gz GJJDHYMDLPLFSL-UHFFFAOYSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]CCCC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000383791543 398040603 /nfs/dbraw/zinc/04/06/03/398040603.db2.gz LWLLKZOUWJTTRA-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](C(=O)NC(C)(C)C)N(C)C[C@H]1CC[NH2+]C1 ZINC000382754209 397972347 /nfs/dbraw/zinc/97/23/47/397972347.db2.gz KNVDWUFWYFELJJ-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC1CC[NH+](CC)CC1 ZINC000038098299 397978898 /nfs/dbraw/zinc/97/88/98/397978898.db2.gz URPFCTFQAAZZFD-JTQLQIEISA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)C[C@@H]([NH3+])CNC[C@@H]1CCC[NH2+]C1 ZINC000414853969 398062046 /nfs/dbraw/zinc/06/20/46/398062046.db2.gz LQFJPZVNTOOSKZ-VXGBXAGGSA-N 2 0 213.369 0.949 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1C[NH2+]C1 ZINC000638048387 398066808 /nfs/dbraw/zinc/06/68/08/398066808.db2.gz OETKGIRHAMEJMW-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000638048219 398067253 /nfs/dbraw/zinc/06/72/53/398067253.db2.gz BWQIAZCQGPXHIW-LLVKDONJSA-N 2 0 241.379 0.975 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000638189613 398078822 /nfs/dbraw/zinc/07/88/22/398078822.db2.gz DSUUJPJRDGZBCP-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC000566075772 398094953 /nfs/dbraw/zinc/09/49/53/398094953.db2.gz FYBBFQMZFMIXTL-UHFFFAOYSA-N 2 0 227.352 0.559 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H]([NH3+])C(C)C ZINC000418419946 398088432 /nfs/dbraw/zinc/08/84/32/398088432.db2.gz ZVURQQWIYBVYMY-QWRGUYRKSA-N 2 0 244.383 0.642 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000384744261 398104165 /nfs/dbraw/zinc/10/41/65/398104165.db2.gz LSUGNOGZVAESQE-WHOHXGKFSA-N 2 0 230.352 0.896 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000522061358 398106709 /nfs/dbraw/zinc/10/67/09/398106709.db2.gz UGMUFZBQRMXIPC-YPMHNXCESA-N 2 0 239.363 0.716 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](C)C[NH2+]C ZINC000236939812 398118490 /nfs/dbraw/zinc/11/84/90/398118490.db2.gz KQJBUGZYMYKUAD-BBBLOLIVSA-N 2 0 215.341 0.332 20 0 BCADRP C[C@H]([NH3+])CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000107213663 322862283 /nfs/dbraw/zinc/86/22/83/322862283.db2.gz VIWAFOMDUAICHC-NWDGAFQWSA-N 2 0 211.353 0.894 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000237446850 398111648 /nfs/dbraw/zinc/11/16/48/398111648.db2.gz KIQRDEZBMXYQDG-VHSXEESVSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237440180 398111765 /nfs/dbraw/zinc/11/17/65/398111765.db2.gz KIQRDEZBMXYQDG-UWVGGRQHSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000237763041 398112629 /nfs/dbraw/zinc/11/26/29/398112629.db2.gz DIMJAUIHROIXBG-YPMHNXCESA-N 2 0 239.363 0.492 20 0 BCADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC000649212399 398130349 /nfs/dbraw/zinc/13/03/49/398130349.db2.gz NNIBZHHLISQYSQ-GHMZBOCLSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638567634 398131317 /nfs/dbraw/zinc/13/13/17/398131317.db2.gz PZFIGHVQRSWSJG-YTWAJWBKSA-N 2 0 227.352 0.617 20 0 BCADRP CC(C)NC(=O)C[N@H+](C)CC1CC[NH2+]CC1 ZINC000043497713 167047562 /nfs/dbraw/zinc/04/75/62/167047562.db2.gz BFXZPWWBCFNVOM-UHFFFAOYSA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000082475017 167052973 /nfs/dbraw/zinc/05/29/73/167052973.db2.gz XPIJFBWLNJRVDE-JTQLQIEISA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[NH2+]C1CCN(CCOCC[NH3+])CC1 ZINC000357077100 167095885 /nfs/dbraw/zinc/09/58/85/167095885.db2.gz JMNKMGBGBXSYGK-UHFFFAOYSA-N 2 0 229.368 0.424 20 0 BCADRP COC[C@@H](C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)OC ZINC000662275919 487529527 /nfs/dbraw/zinc/52/95/27/487529527.db2.gz FPBUJNBHJOQGSR-CHWSQXEVSA-N 2 0 242.363 0.723 20 0 BCADRP CC[NH+](CC)CCNC(=O)CC1([NH3+])CCC1 ZINC000086852978 487569013 /nfs/dbraw/zinc/56/90/13/487569013.db2.gz MOUGRZGNYBIKJJ-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP C[NH+]1CCC(NC(=O)CC2([NH3+])CCC2)CC1 ZINC000086853228 487570179 /nfs/dbraw/zinc/57/01/79/487570179.db2.gz OAVBVPPPRNRMNR-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP O=C(C[NH2+]C1CC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157800422 487578649 /nfs/dbraw/zinc/57/86/49/487578649.db2.gz RXSKOXKTZIQRGW-NWDGAFQWSA-N 2 0 237.347 0.481 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000082241614 487580991 /nfs/dbraw/zinc/58/09/91/487580991.db2.gz KZNYYFZAAXXEBY-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NCC(C)(C)[NH3+])C1 ZINC000082244829 487581494 /nfs/dbraw/zinc/58/14/94/487581494.db2.gz CVCWMEVNVGPPSF-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649671 487587957 /nfs/dbraw/zinc/58/79/57/487587957.db2.gz PMBYCKFYZHVNNI-NSHDSACASA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)OC[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000337340429 167263042 /nfs/dbraw/zinc/26/30/42/167263042.db2.gz PJHUZFDPPBIIAB-LBPRGKRZSA-N 2 0 244.379 0.846 20 0 BCADRP CC(=O)NC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000135297059 487589177 /nfs/dbraw/zinc/58/91/77/487589177.db2.gz FSDPGFYOAJWMKX-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP CC(=O)N[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000160268945 487596581 /nfs/dbraw/zinc/59/65/81/487596581.db2.gz LDTDRTAAYATPFB-LBPRGKRZSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000662401831 487599729 /nfs/dbraw/zinc/59/97/29/487599729.db2.gz BZCINVYSMGUVJE-GARJFASQSA-N 2 0 225.336 0.372 20 0 BCADRP CCCN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000662413625 487603468 /nfs/dbraw/zinc/60/34/68/487603468.db2.gz OVKISOPCDVSYRF-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]CCC1CC[NH+](C[C@H]2CNCCO2)CC1 ZINC000662264791 409560152 /nfs/dbraw/zinc/56/01/52/409560152.db2.gz LZDDVIZSLFKZHP-CYBMUJFWSA-N 2 0 241.379 0.296 20 0 BCADRP C[NH2+]CCC1CC[NH+](C[C@@H](COC)OC)CC1 ZINC000662266041 409563253 /nfs/dbraw/zinc/56/32/53/409563253.db2.gz VXKXUVGNGCJSPX-ZDUSSCGKSA-N 2 0 244.379 0.969 20 0 BCADRP C[C@@H]1CCCN(C[C@@H]2C[NH2+]CCO2)[C@H]1C[NH3+] ZINC000662244081 409534002 /nfs/dbraw/zinc/53/40/02/409534002.db2.gz GKXOKXLLQCJRHM-WOPDTQHZSA-N 2 0 227.352 0.034 20 0 BCADRP C[NH2+][C@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662246108 409541992 /nfs/dbraw/zinc/54/19/92/409541992.db2.gz PFGZRNAQTUOFMW-NWDGAFQWSA-N 2 0 239.363 0.191 20 0 BCADRP C[C@](C[NH3+])([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662248025 409543478 /nfs/dbraw/zinc/54/34/78/409543478.db2.gz RARBYVWQOLUBFU-VXGBXAGGSA-N 3 0 239.363 0.224 20 0 BCADRP CC[NH2+]CC1CC[NH+](C[C@H]2CNCCO2)CC1 ZINC000662247351 409545766 /nfs/dbraw/zinc/54/57/66/409545766.db2.gz ZPGSGNQHSPEXRA-CYBMUJFWSA-N 2 0 241.379 0.296 20 0 BCADRP CC[NH2+]CC1CC[NH+](C[C@@H]2CNCCO2)CC1 ZINC000662247357 409546346 /nfs/dbraw/zinc/54/63/46/409546346.db2.gz ZPGSGNQHSPEXRA-ZDUSSCGKSA-N 2 0 241.379 0.296 20 0 BCADRP c1ccc2c(c1)C[NH2+]CCN2C[C@@H]1C[NH2+]CCO1 ZINC000662247744 409548873 /nfs/dbraw/zinc/54/88/73/409548873.db2.gz ZRRXVFYQTVGEKV-ZDUSSCGKSA-N 2 0 247.342 0.585 20 0 BCADRP COC[C@@H](C[NH+]1CCC2(CC[NH2+]C2)CC1)OC ZINC000662272910 409580120 /nfs/dbraw/zinc/58/01/20/409580120.db2.gz IIEGRBZLZYOPAC-GFCCVEGCSA-N 2 0 242.363 0.723 20 0 BCADRP CO[C@H](C[N@H+](C)C[C@H](O)C[NH3+])C1CCCC1 ZINC000662277215 409589350 /nfs/dbraw/zinc/58/93/50/409589350.db2.gz NHELYNMRTXRVDH-VXGBXAGGSA-N 2 0 230.352 0.443 20 0 BCADRP [NH3+][C@@H]1Cc2ccccc2N(C[C@@H]2C[NH2+]CCO2)C1 ZINC000662280532 409600226 /nfs/dbraw/zinc/60/02/26/409600226.db2.gz DUYLACCPTZNSAJ-OLZOCXBDSA-N 2 0 247.342 0.365 20 0 BCADRP COC[C@H](C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)OC ZINC000662283079 409607525 /nfs/dbraw/zinc/60/75/25/409607525.db2.gz KJJLTYBDXCKJIM-VOAKCMCISA-N 2 0 244.379 0.953 20 0 BCADRP C[C@H]1CCCN(C(=O)CC2([NH3+])CC2)[C@H]1C[NH3+] ZINC000662425198 409708569 /nfs/dbraw/zinc/70/85/69/409708569.db2.gz YJMZFKZVYHXMHW-UWVGGRQHSA-N 2 0 225.336 0.454 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CC1(C)C ZINC000662330153 409643737 /nfs/dbraw/zinc/64/37/37/409643737.db2.gz AKKCXARYIXASSJ-JTQLQIEISA-N 2 0 200.326 0.940 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@H]1CC1(C)C ZINC000662330154 409643891 /nfs/dbraw/zinc/64/38/91/409643891.db2.gz AKKCXARYIXASSJ-SNVBAGLBSA-N 2 0 200.326 0.940 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662566540 409760496 /nfs/dbraw/zinc/76/04/96/409760496.db2.gz WKLXJGCBQMZAFB-GRYCIOLGSA-N 2 0 239.363 0.442 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1[NH2+]CCc2ccccc21 ZINC000127872695 409767156 /nfs/dbraw/zinc/76/71/56/409767156.db2.gz XWOHDTVJKIEFME-YPMHNXCESA-N 2 0 245.326 0.352 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000127872907 409769617 /nfs/dbraw/zinc/76/96/17/409769617.db2.gz XWOHDTVJKIEFME-DGCLKSJQSA-N 2 0 245.326 0.352 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662602750 409777200 /nfs/dbraw/zinc/77/72/00/409777200.db2.gz QCXPCRYUNKCZST-MNOVXSKESA-N 2 0 239.363 0.713 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662432758 409713892 /nfs/dbraw/zinc/71/38/92/409713892.db2.gz SETMENFCUBHLAI-OPRDCNLKSA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655247078 409717933 /nfs/dbraw/zinc/71/79/33/409717933.db2.gz RMWCXGNHENURPC-TXEJJXNPSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2CCC[NH2+]CC2)[C@H]1C ZINC000653135751 409854919 /nfs/dbraw/zinc/85/49/19/409854919.db2.gz OSIRMDWUWFOSHU-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662681592 409828440 /nfs/dbraw/zinc/82/84/40/409828440.db2.gz JFYVBDUTSQDVHI-GMTAPVOTSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653125748 409836471 /nfs/dbraw/zinc/83/64/71/409836471.db2.gz XWLSOJUGMXABQT-ZJUUUORDSA-N 2 0 213.325 0.087 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653126871 409837123 /nfs/dbraw/zinc/83/71/23/409837123.db2.gz MRSDKYIHAPNYOC-FIQHERPVSA-N 2 0 239.363 0.700 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)C1CC1 ZINC000653127494 409838176 /nfs/dbraw/zinc/83/81/76/409838176.db2.gz DGCXLSLHOZKVMY-IJLUTSLNSA-N 2 0 237.347 0.371 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)C1CC1 ZINC000653127496 409838426 /nfs/dbraw/zinc/83/84/26/409838426.db2.gz DGCXLSLHOZKVMY-WOPDTQHZSA-N 2 0 237.347 0.371 20 0 BCADRP [NH3+][C@@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CC1 ZINC000653127715 409838493 /nfs/dbraw/zinc/83/84/93/409838493.db2.gz XGZQZZYZIBRLFN-AXFHLTTASA-N 2 0 225.336 0.357 20 0 BCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](C)C[NH3+] ZINC000662692719 409841314 /nfs/dbraw/zinc/84/13/14/409841314.db2.gz FYPHDAUGKJLJDN-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000653128617 409841495 /nfs/dbraw/zinc/84/14/95/409841495.db2.gz OSYLWGYANWLEFH-NOOOWODRSA-N 2 0 239.363 0.700 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653130830 409847496 /nfs/dbraw/zinc/84/74/96/409847496.db2.gz CDXQEXXFHJLDSU-QWHCGFSZSA-N 2 0 249.358 0.553 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC[NH2+]1 ZINC000653133761 409851911 /nfs/dbraw/zinc/85/19/11/409851911.db2.gz ZUXYMVPUSZNUTL-MVWJERBFSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC[NH2+]1 ZINC000653133760 409852275 /nfs/dbraw/zinc/85/22/75/409852275.db2.gz ZUXYMVPUSZNUTL-DLOVCJGASA-N 2 0 237.347 0.337 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000653136881 409857014 /nfs/dbraw/zinc/85/70/14/409857014.db2.gz NISKKLQZFZWASB-NNYUYHANSA-N 2 0 237.347 0.182 20 0 BCADRP O=C([C@H]1CCC[NH2+]CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000653136772 409857090 /nfs/dbraw/zinc/85/70/90/409857090.db2.gz FETZZIUNZUMELM-SDDRHHMPSA-N 2 0 237.347 0.054 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)[C@H](C)[NH3+] ZINC000662619707 409790243 /nfs/dbraw/zinc/79/02/43/409790243.db2.gz NTZPUKMUPLZWRQ-VWYCJHECSA-N 2 0 241.379 0.959 20 0 BCADRP O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000653136757 409853590 /nfs/dbraw/zinc/85/35/90/409853590.db2.gz DKUCIULNYRMZBK-QNWHQSFQSA-N 2 0 249.358 0.195 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662623655 409795695 /nfs/dbraw/zinc/79/56/95/409795695.db2.gz ZOGIWTWRAARMEV-GHMZBOCLSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)c1ccccc1CC[NH3+] ZINC000653136168 409853890 /nfs/dbraw/zinc/85/38/90/409853890.db2.gz DCXDGEDJKMJELE-SECBINFHSA-N 2 0 221.304 0.265 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653104829 409797792 /nfs/dbraw/zinc/79/77/92/409797792.db2.gz XMACRFBYSZVYJC-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653105501 409798119 /nfs/dbraw/zinc/79/81/19/409798119.db2.gz YXYFQPMLABKSFP-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653135087 409854077 /nfs/dbraw/zinc/85/40/77/409854077.db2.gz SLYYMLQUWDDNQJ-IJLUTSLNSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC[C@H](C)[NH+](C)C ZINC000662629626 409799896 /nfs/dbraw/zinc/79/98/96/409799896.db2.gz AOJQJECZLANNEM-NSHDSACASA-N 2 0 229.368 0.831 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653136426 409855898 /nfs/dbraw/zinc/85/58/98/409855898.db2.gz OUCZAIUDGUVCAS-USWWRNFRSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@H](CCNC(=O)[C@@H]1CC[NH2+][C@H]1C)[NH+](C)C ZINC000662632499 409804414 /nfs/dbraw/zinc/80/44/14/409804414.db2.gz DBNOHXHXSWXRQH-OUAUKWLOSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653135086 409854479 /nfs/dbraw/zinc/85/44/79/409854479.db2.gz SLYYMLQUWDDNQJ-GRYCIOLGSA-N 2 0 239.363 0.490 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653110455 409815008 /nfs/dbraw/zinc/81/50/08/409815008.db2.gz JCXDKWQAFURGDC-NWDGAFQWSA-N 2 0 239.363 0.444 20 0 BCADRP CCCN(C(=O)[C@H]1C[C@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000662657372 409817999 /nfs/dbraw/zinc/81/79/99/409817999.db2.gz LTXFVYKABXVAMX-XYPYZODXSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662658884 409819180 /nfs/dbraw/zinc/81/91/80/409819180.db2.gz LEFSFGWRLSHQHM-XYPYZODXSA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@@]1(C(=O)N[C@@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000215297868 409908617 /nfs/dbraw/zinc/90/86/17/409908617.db2.gz UDJJRWIBLOXJGR-YPMHNXCESA-N 2 0 239.363 0.729 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662783073 409913625 /nfs/dbraw/zinc/91/36/25/409913625.db2.gz NNOXVOZTNAUCKI-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662784763 409916408 /nfs/dbraw/zinc/91/64/08/409916408.db2.gz WZSWJHHKWXZNNL-VIFPVBQESA-N 2 0 225.336 0.502 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000662785775 409919320 /nfs/dbraw/zinc/91/93/20/409919320.db2.gz ZZYCCKIRFITDJQ-BDAKNGLRSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653144533 409866404 /nfs/dbraw/zinc/86/64/04/409866404.db2.gz YNBYGXXWCTUDPS-USWWRNFRSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653143823 409866656 /nfs/dbraw/zinc/86/66/56/409866656.db2.gz CWCRFLAPEFWIDL-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653145047 409867046 /nfs/dbraw/zinc/86/70/46/409867046.db2.gz WISSDCHKMHPAPS-ZJUUUORDSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653144936 409869291 /nfs/dbraw/zinc/86/92/91/409869291.db2.gz MQQQYMFBJXVVLY-OINDSLJFSA-N 2 0 225.336 0.369 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@@H]1CCC[NH2+]CC1)C(F)F ZINC000653144928 409869811 /nfs/dbraw/zinc/86/98/11/409869811.db2.gz MNPNVUCKQFJFNF-BDAKNGLRSA-N 2 0 249.305 0.475 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653144937 409869866 /nfs/dbraw/zinc/86/98/66/409869866.db2.gz MQQQYMFBJXVVLY-UUTMEEIUSA-N 2 0 225.336 0.369 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653144935 409870293 /nfs/dbraw/zinc/87/02/93/409870293.db2.gz MQQQYMFBJXVVLY-MPKXCIJOSA-N 2 0 225.336 0.369 20 0 BCADRP [NH3+]C1(CC(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1 ZINC000662765415 409887695 /nfs/dbraw/zinc/88/76/95/409887695.db2.gz ZQUPWYUMEJNYJG-UHFFFAOYSA-N 2 0 246.314 0.547 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662765268 409889111 /nfs/dbraw/zinc/88/91/11/409889111.db2.gz XJRIXEZLDLPJQU-ZETCQYMHSA-N 2 0 240.307 0.336 20 0 BCADRP C[C@H](C[NH3+])NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662767817 409890843 /nfs/dbraw/zinc/89/08/43/409890843.db2.gz ZIGBYTPQDFXHKZ-SECBINFHSA-N 2 0 233.315 0.409 20 0 BCADRP C[C@@H](CCNC(=O)[C@H]1[NH2+]CCC1(C)C)[NH+](C)C ZINC000662860185 409958038 /nfs/dbraw/zinc/95/80/38/409958038.db2.gz RENWZXPHHKBZCU-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@H]1CC[NH3+] ZINC000662829665 409940582 /nfs/dbraw/zinc/94/05/82/409940582.db2.gz OWQQGHVNZZFQCT-KKOKHZNYSA-N 2 0 239.363 0.700 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662839443 409948517 /nfs/dbraw/zinc/94/85/17/409948517.db2.gz QPRWLDURWSQYMO-TUAOUCFPSA-N 2 0 239.363 0.857 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663010633 410028546 /nfs/dbraw/zinc/02/85/46/410028546.db2.gz KVDMSOPBXUPDQB-ONGXEEELSA-N 2 0 213.325 0.243 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662968871 409998576 /nfs/dbraw/zinc/99/85/76/409998576.db2.gz KUMRKSPFPPRDJV-MFKMUULPSA-N 2 0 247.342 0.945 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000662968451 409999046 /nfs/dbraw/zinc/99/90/46/409999046.db2.gz HWQQVSQMNLFYIU-ZWNOBZJWSA-N 2 0 247.342 0.598 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000662969559 409999183 /nfs/dbraw/zinc/99/91/83/409999183.db2.gz OEOJPFPHXGOTKY-KXUCPTDWSA-N 2 0 213.325 0.228 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000257673059 487613991 /nfs/dbraw/zinc/61/39/91/487613991.db2.gz IYBFLBZIVWCTJH-NEPJUHHUSA-N 2 0 209.337 0.281 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653162747 410106749 /nfs/dbraw/zinc/10/67/49/410106749.db2.gz FVYVQTIMGZPSDD-GHMZBOCLSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653162886 410106977 /nfs/dbraw/zinc/10/69/77/410106977.db2.gz QPURVWCGWKBCJW-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCCC[N@H+](C)CC(C)C ZINC000653176266 410151704 /nfs/dbraw/zinc/15/17/04/410151704.db2.gz OFJPOWDJAHSGJI-NSHDSACASA-N 2 0 229.368 0.818 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)C1([NH3+])CCC1 ZINC000653176353 410152546 /nfs/dbraw/zinc/15/25/46/410152546.db2.gz RBNWUZGNESYLAL-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653167025 410134116 /nfs/dbraw/zinc/13/41/16/410134116.db2.gz FQPKOXZCKYLDAQ-HBNTYKKESA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000653170457 410136965 /nfs/dbraw/zinc/13/69/65/410136965.db2.gz CPFBDAQJLQYLOB-GRZMOONWSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000653169418 410137358 /nfs/dbraw/zinc/13/73/58/410137358.db2.gz POZBYKCCAYFRTC-QKIYJJFGSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000653169416 410137431 /nfs/dbraw/zinc/13/74/31/410137431.db2.gz POZBYKCCAYFRTC-IXYVEGFRSA-N 2 0 239.363 0.700 20 0 BCADRP O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1CCC[NH2+]CC1 ZINC000655411699 410214972 /nfs/dbraw/zinc/21/49/72/410214972.db2.gz HLFFFLDBIXGEKI-DGCLKSJQSA-N 2 0 237.347 0.198 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655413044 410215772 /nfs/dbraw/zinc/21/57/72/410215772.db2.gz JTQZASNBLFUOQV-CMPLNLGQSA-N 2 0 225.336 0.102 20 0 BCADRP O=C(CC[NH2+]C1CC1)NCC1CC[NH2+]CC1 ZINC000655411943 410216526 /nfs/dbraw/zinc/21/65/26/410216526.db2.gz JCFSAMHMOIMNMH-UHFFFAOYSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653193863 410159897 /nfs/dbraw/zinc/15/98/97/410159897.db2.gz KGYMCFMPXQIZBN-SCVCMEIPSA-N 2 0 225.336 0.169 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)C(C)(C)[NH3+] ZINC000653210557 410164831 /nfs/dbraw/zinc/16/48/31/410164831.db2.gz ATEYVUZKQITCOJ-UHFFFAOYSA-N 2 0 235.331 0.760 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCCC1(C[NH3+])CC1 ZINC000653221174 410168532 /nfs/dbraw/zinc/16/85/32/410168532.db2.gz LBGGMZVGFOITFA-DTWKUNHWSA-N 2 0 213.325 0.215 20 0 BCADRP CC(C)[C@H](C(=O)NCCC1(C[NH3+])CC1)[NH+](C)C ZINC000653221242 410168607 /nfs/dbraw/zinc/16/86/07/410168607.db2.gz OLWQQUAZONZQHF-LLVKDONJSA-N 2 0 241.379 0.818 20 0 BCADRP O=C(CC[NH2+]C1CC1)NC[C@H]1CCCC[NH2+]1 ZINC000655413919 410218667 /nfs/dbraw/zinc/21/86/67/410218667.db2.gz MKGNEQXBSCNTHX-LLVKDONJSA-N 2 0 225.336 0.387 20 0 BCADRP CC(C)[C@@H](C(=O)NCCC1(C[NH3+])CC1)[C@@H](C)[NH3+] ZINC000653222636 410171581 /nfs/dbraw/zinc/17/15/81/410171581.db2.gz JSWREXGFSGLTLB-GHMZBOCLSA-N 2 0 241.379 0.851 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000653232801 410175267 /nfs/dbraw/zinc/17/52/67/410175267.db2.gz JWCVZVQRSFTVBU-OUAUKWLOSA-N 2 0 227.352 0.700 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000653240095 410181744 /nfs/dbraw/zinc/18/17/44/410181744.db2.gz JWCVZVQRSFTVBU-GMTAPVOTSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC[NH2+]1 ZINC000655414696 410219309 /nfs/dbraw/zinc/21/93/09/410219309.db2.gz CESPTWXAKBYCSG-WZRBSPASSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC(CC[NH3+])CC1 ZINC000653256433 410236641 /nfs/dbraw/zinc/23/66/41/410236641.db2.gz DPWBWSRLUPNMOT-NXEZZACHSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@@H](C(=O)N1CCC(CC[NH3+])CC1)[NH+](C)C ZINC000653256664 410240600 /nfs/dbraw/zinc/24/06/00/410240600.db2.gz WWKWMPWMGXLLEU-JTQLQIEISA-N 2 0 227.352 0.524 20 0 BCADRP CC[C@H]1C[N@H+](CCn2cncn2)CC[C@@H]1[NH3+] ZINC000309170558 410270172 /nfs/dbraw/zinc/27/01/72/410270172.db2.gz AFUMDKIOMGVQIX-QWRGUYRKSA-N 2 0 223.324 0.337 20 0 BCADRP C(N1CCC[C@H]2C[NH2+]C[C@H]21)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663495427 410274608 /nfs/dbraw/zinc/27/46/08/410274608.db2.gz XTYFNLIWVCONSM-LOWDOPEQSA-N 2 0 221.348 0.280 20 0 BCADRP C(N[C@H]1CC[NH2+]C12CCCC2)[C@]12C[C@H]1C[NH2+]C2 ZINC000663496001 410274722 /nfs/dbraw/zinc/27/47/22/410274722.db2.gz BWCWLLCXTWLBFG-RWMBFGLXSA-N 2 0 235.375 0.860 20 0 BCADRP C[C@@H]1CCCN(C(=O)CC[NH2+]C2CC2)[C@H]1C[NH3+] ZINC000655417537 410225233 /nfs/dbraw/zinc/22/52/33/410225233.db2.gz JUWLCWGBYVXZAC-PWSUYJOCSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655417356 410225304 /nfs/dbraw/zinc/22/53/04/410225304.db2.gz IGUOUNNZPCBQNJ-LOWVWBTDSA-N 2 0 239.363 0.476 20 0 BCADRP Cc1n[nH]cc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712453 410341768 /nfs/dbraw/zinc/34/17/68/410341768.db2.gz CYMIQWOEMNCXOX-UHFFFAOYSA-N 2 0 208.309 0.937 20 0 BCADRP [NH3+]CC1(CC[NH2+]Cc2cnc3cnccn23)CC1 ZINC000650712865 410345050 /nfs/dbraw/zinc/34/50/50/410345050.db2.gz YIELGTQHNCXIJW-UHFFFAOYSA-N 2 0 245.330 0.948 20 0 BCADRP CCO[C@@H]1C[N@H+](C[C@H]2C[C@H]2C)C[C@H]1C[NH3+] ZINC000650714653 410347230 /nfs/dbraw/zinc/34/72/30/410347230.db2.gz WTVMWMWIXYPZMX-DDHJBXDOSA-N 2 0 212.337 0.938 20 0 BCADRP CCO[C@@H]1CN(CC2(C[NH3+])CC2)C[C@H]1C[NH3+] ZINC000650714301 410347895 /nfs/dbraw/zinc/34/78/95/410347895.db2.gz YISRFVLYKVRVPH-GHMZBOCLSA-N 2 0 227.352 0.021 20 0 BCADRP [NH3+]CC1(CC[NH2+]C2CCC([NH3+])CC2)CC1 ZINC000650714234 410347986 /nfs/dbraw/zinc/34/79/86/410347986.db2.gz WOTYXNMHMLLZLL-UHFFFAOYSA-N 3 0 211.353 0.975 20 0 BCADRP CCO[C@@H]1CN(CC[NH2+]C(C)(C)C)C[C@H]1C[NH3+] ZINC000650714424 410348465 /nfs/dbraw/zinc/34/84/65/410348465.db2.gz CDNPXSRETFPJMI-VXGBXAGGSA-N 2 0 243.395 0.670 20 0 BCADRP C[C@@]1(CNC(=O)CC[NH2+]C2CC2)CCC[NH2+]C1 ZINC000655452572 410291981 /nfs/dbraw/zinc/29/19/81/410291981.db2.gz LJFDMTKJEKGDBY-CYBMUJFWSA-N 2 0 239.363 0.634 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000653266641 410305841 /nfs/dbraw/zinc/30/58/41/410305841.db2.gz CTLIAIWNUVQBET-LLVKDONJSA-N 2 0 227.352 0.476 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000653267991 410319074 /nfs/dbraw/zinc/31/90/74/410319074.db2.gz ZBCHFGBVNONAOA-PWSUYJOCSA-N 2 0 241.379 0.866 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000650743631 410376732 /nfs/dbraw/zinc/37/67/32/410376732.db2.gz XZRNURBBYMQLGV-MMWGEVLESA-N 2 0 225.336 0.357 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650742908 410376747 /nfs/dbraw/zinc/37/67/47/410376747.db2.gz HVHGGWZCTSUZIM-CHWFTXMASA-N 2 0 225.336 0.228 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000650743632 410378169 /nfs/dbraw/zinc/37/81/69/410378169.db2.gz XZRNURBBYMQLGV-UKKRHICBSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@H]1CCC[NH2+]1 ZINC000650747664 410386672 /nfs/dbraw/zinc/38/66/72/410386672.db2.gz FKVWAQCYYNSSAQ-GHMZBOCLSA-N 3 0 211.353 0.846 20 0 BCADRP Nc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000381349248 410456946 /nfs/dbraw/zinc/45/69/46/410456946.db2.gz BEZNFJQXYPVBRQ-SECBINFHSA-N 2 0 206.293 0.275 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CC2([NH3+])CCC2)CC[N@@H+]1C ZINC000132971231 410433231 /nfs/dbraw/zinc/43/32/31/410433231.db2.gz HQYFURLOBGHIJY-GHMZBOCLSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC[NH2+]1 ZINC000655456452 410507578 /nfs/dbraw/zinc/50/75/78/410507578.db2.gz CESPTWXAKBYCSG-GMXVVIOVSA-N 2 0 237.347 0.196 20 0 BCADRP CC1(C)COC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000313020710 410574397 /nfs/dbraw/zinc/57/43/97/410574397.db2.gz LTBUMBGSGCEJIF-RYUDHWBXSA-N 2 0 242.363 0.458 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000653272435 410539997 /nfs/dbraw/zinc/53/99/97/410539997.db2.gz NLEUDZDWBPLQII-LLVKDONJSA-N 2 0 239.363 0.490 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCCC1CC[NH2+]CC1 ZINC000653272629 410540377 /nfs/dbraw/zinc/54/03/77/410540377.db2.gz WSPZTIOYWBZJIO-NSHDSACASA-N 2 0 241.379 0.880 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCCC1CC[NH2+]CC1 ZINC000653272669 410540523 /nfs/dbraw/zinc/54/05/23/410540523.db2.gz YHYVPDWOIZPEPW-VHSXEESVSA-N 2 0 227.352 0.476 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000653272436 410540660 /nfs/dbraw/zinc/54/06/60/410540660.db2.gz NLEUDZDWBPLQII-NSHDSACASA-N 2 0 239.363 0.490 20 0 BCADRP C[NH2+]CCC(=O)NCCC1CC[NH2+]CC1 ZINC000653272164 410540905 /nfs/dbraw/zinc/54/09/05/410540905.db2.gz ALURZWQAALHRKS-UHFFFAOYSA-N 2 0 213.325 0.102 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655459555 410554505 /nfs/dbraw/zinc/55/45/05/410554505.db2.gz LSKCERVVEFKVFX-NQBHXWOUSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655477660 410710867 /nfs/dbraw/zinc/71/08/67/410710867.db2.gz ARNUXVCSZOIERM-MRBYEJRBSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1NCC1([NH3+])CCCC1 ZINC000665248839 410731690 /nfs/dbraw/zinc/73/16/90/410731690.db2.gz DGASLIZPQNULPE-QWRGUYRKSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655484414 410753134 /nfs/dbraw/zinc/75/31/34/410753134.db2.gz WGQYRCKLFOGEHE-ZPFDUUQYSA-N 2 0 239.363 0.618 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1nccn1C ZINC000665282710 410759984 /nfs/dbraw/zinc/75/99/84/410759984.db2.gz AHKOLLXBNYZBAZ-GHMZBOCLSA-N 2 0 240.351 0.825 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000655489137 410795289 /nfs/dbraw/zinc/79/52/89/410795289.db2.gz MPAYMGLIGOUICR-LOWVWBTDSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000655488880 410799839 /nfs/dbraw/zinc/79/98/39/410799839.db2.gz HXUVUXMUJZKEGW-TXEJJXNPSA-N 2 0 239.363 0.442 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000040673664 410884966 /nfs/dbraw/zinc/88/49/66/410884966.db2.gz BZOBXUNJKXDMEC-CYBMUJFWSA-N 2 0 247.342 0.969 20 0 BCADRP C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)S(C)(=O)=O ZINC000665300104 410832351 /nfs/dbraw/zinc/83/23/51/410832351.db2.gz YJUYMKWIYBCULI-WHXUTIOJSA-N 2 0 248.392 0.527 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000040673669 410886868 /nfs/dbraw/zinc/88/68/68/410886868.db2.gz ASYUBAGSSHUXMH-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000040673670 410887007 /nfs/dbraw/zinc/88/70/07/410887007.db2.gz ASYUBAGSSHUXMH-WDEREUQCSA-N 2 0 227.352 0.570 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396460145 410886007 /nfs/dbraw/zinc/88/60/07/410886007.db2.gz MEMYSBPDXQQOKJ-PWSUYJOCSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]CC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396434651 410881921 /nfs/dbraw/zinc/88/19/21/410881921.db2.gz LGYNNVMWQYZPTD-SECBINFHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396443913 410881965 /nfs/dbraw/zinc/88/19/65/410881965.db2.gz XIELUOSLKACODP-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396443914 410882175 /nfs/dbraw/zinc/88/21/75/410882175.db2.gz XIELUOSLKACODP-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H](NC(=O)C(C)(C)C[NH3+])C1CC[NH+](C)CC1 ZINC000396454862 410883045 /nfs/dbraw/zinc/88/30/45/410883045.db2.gz LUKGTSCNIZAAJG-SNVBAGLBSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000396434351 410883389 /nfs/dbraw/zinc/88/33/89/410883389.db2.gz KUGOXPCJEUEMMC-PWSUYJOCSA-N 2 0 239.363 0.442 20 0 BCADRP CC[NH+](CC)CCNC(=O)C[C@H](C)[NH3+] ZINC000037475680 169778085 /nfs/dbraw/zinc/77/80/85/169778085.db2.gz IVGKUNBPYDHERP-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP CC(C)NC(=O)C[N@H+](C)CCC1CC[NH2+]CC1 ZINC000042607983 167047702 /nfs/dbraw/zinc/04/77/02/167047702.db2.gz ZXMRVCBTGZXVJP-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)CCC[NH2+]C ZINC000041680171 169784451 /nfs/dbraw/zinc/78/44/51/169784451.db2.gz FRPQKFBBYVODOT-LLVKDONJSA-N 2 0 229.368 0.833 20 0 BCADRP CC(C)[C@@H](C(=O)NCC[N@H+](C)C1CC1)[NH+](C)C ZINC000358563603 167342032 /nfs/dbraw/zinc/34/20/32/167342032.db2.gz IKILNJKSSPECNH-LBPRGKRZSA-N 2 0 241.379 0.783 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@H](C)C[NH+](C)C)[NH+](C)C ZINC000341255087 167343081 /nfs/dbraw/zinc/34/30/81/167343081.db2.gz GTPPDMSJMVXDFG-RYUDHWBXSA-N 2 0 243.395 0.887 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@H]([NH3+])C1CC1)[NH+](C)C ZINC000137433501 167343084 /nfs/dbraw/zinc/34/30/84/167343084.db2.gz QZKWBWZCAAFRNR-QWRGUYRKSA-N 2 0 227.352 0.426 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH3+])[NH+](C)C ZINC000336692916 167344833 /nfs/dbraw/zinc/34/48/33/167344833.db2.gz XGQZTVJNWWYAQI-IUCAKERBSA-N 2 0 201.314 0.036 20 0 BCADRP CC(C)[C@@H](C)[NH2+]C[C@H]1CN(C)CCN1C ZINC000082668962 167382354 /nfs/dbraw/zinc/38/23/54/167382354.db2.gz LROYDUMCJJSZRO-NEPJUHHUSA-N 2 0 213.369 0.866 20 0 BCADRP CC(C)[C@@H](C)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000308512112 167382489 /nfs/dbraw/zinc/38/24/89/167382489.db2.gz LJICAFWXPROJDH-MNOVXSKESA-N 2 0 200.326 0.687 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1C ZINC000309429155 167394548 /nfs/dbraw/zinc/39/45/48/167394548.db2.gz YXPYYGHULUZARI-VHSXEESVSA-N 2 0 213.325 0.038 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061644079 167395004 /nfs/dbraw/zinc/39/50/04/167395004.db2.gz OBVFOPDFXFLNJC-VXGBXAGGSA-N 2 0 241.379 0.770 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000336687823 167396314 /nfs/dbraw/zinc/39/63/14/167396314.db2.gz VGEYMCOEIOKTMF-VHSXEESVSA-N 2 0 213.325 0.086 20 0 BCADRP CC[C@@H]1CN(C(=O)C(C)(C)[NH3+])CC[C@@H]1[NH3+] ZINC000309382803 410928224 /nfs/dbraw/zinc/92/82/24/410928224.db2.gz DNMIBPWVBBIHMA-BDAKNGLRSA-N 2 0 213.325 0.310 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CCC[NH3+] ZINC000236726819 167418942 /nfs/dbraw/zinc/41/89/42/167418942.db2.gz VZFSYZDVUVDVCH-JTQLQIEISA-N 2 0 215.341 0.557 20 0 BCADRP C[C@@H]([NH3+])C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000309566671 410961180 /nfs/dbraw/zinc/96/11/80/410961180.db2.gz QWRCMRKVGOUVKE-MRVPVSSYSA-N 2 0 211.309 0.077 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000367386180 167522054 /nfs/dbraw/zinc/52/20/54/167522054.db2.gz PVGYDPKCOVBTQN-WZRBSPASSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](C)C1)[C@H](C)[NH3+] ZINC000399658214 411053845 /nfs/dbraw/zinc/05/38/45/411053845.db2.gz OUCZUWMAPFYJRY-TUAOUCFPSA-N 2 0 241.379 0.674 20 0 BCADRP CC(C)[C@@H](C(=O)NC1CCC([NH3+])CC1)[C@@H](C)[NH3+] ZINC000399662557 411055958 /nfs/dbraw/zinc/05/59/58/411055958.db2.gz PUULNWYJTRDROG-HBIQZDMRSA-N 2 0 241.379 0.992 20 0 BCADRP COC[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000300046076 411078831 /nfs/dbraw/zinc/07/88/31/411078831.db2.gz UDSSFFXUTSTPSU-RYUDHWBXSA-N 2 0 212.337 0.954 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CCC([NH3+])CC1 ZINC000309399035 411162996 /nfs/dbraw/zinc/16/29/96/411162996.db2.gz HCSRUPPYXZJHGV-LLVKDONJSA-N 2 0 213.325 0.454 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@H](C[NH3+])C1 ZINC000309397139 411163201 /nfs/dbraw/zinc/16/32/01/411163201.db2.gz GSDSQRMFABLDNI-KOLCDFICSA-N 2 0 213.325 0.311 20 0 BCADRP COC[C@H](C)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000045706765 411148540 /nfs/dbraw/zinc/14/85/40/411148540.db2.gz CZCLMYYWEKXIQA-MXWKQRLJSA-N 2 0 200.326 0.938 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000659549719 411152779 /nfs/dbraw/zinc/15/27/79/411152779.db2.gz ODGXPLIHXVUUFF-OPRDCNLKSA-N 2 0 230.356 0.395 20 0 BCADRP CN(CCc1noc2ccccc21)C[C@H](O)C[NH3+] ZINC000655941103 411160510 /nfs/dbraw/zinc/16/05/10/411160510.db2.gz MEJVMVUPPWNAGZ-SNVBAGLBSA-N 2 0 249.314 0.622 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2[C@H]1CCNC1=O ZINC000655942202 411161415 /nfs/dbraw/zinc/16/14/15/411161415.db2.gz LVEZBXDOPQVFDY-YZRBJQDESA-N 2 0 223.320 0.078 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC(C)(C)[NH3+] ZINC000309374063 411113792 /nfs/dbraw/zinc/11/37/92/411113792.db2.gz CKEBNCAPCIVWDR-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655504553 411115422 /nfs/dbraw/zinc/11/54/22/411115422.db2.gz FHHOFDQWTAXZIB-XPUUQOCRSA-N 2 0 241.257 0.510 20 0 BCADRP OCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000400989611 411168505 /nfs/dbraw/zinc/16/85/05/411168505.db2.gz XKYXAGPYWKHKDO-IJLUTSLNSA-N 2 0 224.348 0.737 20 0 BCADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N(C)C ZINC000401004232 411168585 /nfs/dbraw/zinc/16/85/85/411168585.db2.gz ISQLZZRJUBHXGK-YVECIDJPSA-N 2 0 225.380 0.914 20 0 BCADRP [NH3+]CCNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652201949 411170957 /nfs/dbraw/zinc/17/09/57/411170957.db2.gz VMRBULCWDFJTQA-UHFFFAOYSA-N 2 0 240.282 0.042 20 0 BCADRP [NH3+]CC1(CCNC(=O)NCC[NH2+]C2CC2)CC1 ZINC000652203758 411170996 /nfs/dbraw/zinc/17/09/96/411170996.db2.gz XDLZFQSKZSCKSV-UHFFFAOYSA-N 2 0 240.351 0.167 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000309557734 411171142 /nfs/dbraw/zinc/17/11/42/411171142.db2.gz NECALYFIFRQPRB-OPRDCNLKSA-N 2 0 211.309 0.125 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)NCCC1CC[NH2+]CC1 ZINC000652211708 411172712 /nfs/dbraw/zinc/17/27/12/411172712.db2.gz IGYKCXGQPXUUKG-SNVBAGLBSA-N 2 0 242.367 0.413 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N(C)CC[NH+]1CCCCC1 ZINC000652218179 411173007 /nfs/dbraw/zinc/17/30/07/411173007.db2.gz ZYLPSFFDGOPDFI-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP C[NH+](C)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401037937 411173620 /nfs/dbraw/zinc/17/36/20/411173620.db2.gz ZPBQFUHQCUZCRS-JHJVBQTASA-N 3 0 225.380 0.916 20 0 BCADRP C[NH+](C)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401037940 411173643 /nfs/dbraw/zinc/17/36/43/411173643.db2.gz ZPBQFUHQCUZCRS-YNEHKIRRSA-N 3 0 225.380 0.916 20 0 BCADRP CC[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401040989 411174244 /nfs/dbraw/zinc/17/42/44/411174244.db2.gz OYZDQUKMLXHTTE-QCNOEVLYSA-N 2 0 212.337 0.735 20 0 BCADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000061645004 411174313 /nfs/dbraw/zinc/17/43/13/411174313.db2.gz WGUFBZFUDPGQMW-WDEREUQCSA-N 2 0 225.336 0.291 20 0 BCADRP Cn1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000401052340 411174660 /nfs/dbraw/zinc/17/46/60/411174660.db2.gz YXVYDJJNBLBXLW-BFHYXJOUSA-N 2 0 248.374 0.940 20 0 BCADRP [NH3+]C1(CNC(=O)CC2([NH3+])CCC2)CCC1 ZINC000309561547 411175578 /nfs/dbraw/zinc/17/55/78/411175578.db2.gz PAHIPHMAIJDGRJ-UHFFFAOYSA-N 2 0 211.309 0.256 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)NCCC1(C[NH3+])CC1 ZINC000652221530 411176053 /nfs/dbraw/zinc/17/60/53/411176053.db2.gz XSOOMWPKHZJCLJ-SNVBAGLBSA-N 2 0 242.367 0.542 20 0 BCADRP c1n[nH]cc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401080200 411176753 /nfs/dbraw/zinc/17/67/53/411176753.db2.gz ODJOAECADRXSFC-JHJVBQTASA-N 2 0 234.347 0.930 20 0 BCADRP c1cn(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000401117419 411177120 /nfs/dbraw/zinc/17/71/20/411177120.db2.gz IQXUACAQLSGQLO-RWMBFGLXSA-N 2 0 234.347 0.861 20 0 BCADRP CN(C(=O)C1([NH3+])CCCC1)C1CC[NH+](C)CC1 ZINC000048218414 411180305 /nfs/dbraw/zinc/18/03/05/411180305.db2.gz RKZRTMCMSZJXQL-UHFFFAOYSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000048215294 411180951 /nfs/dbraw/zinc/18/09/51/411180951.db2.gz LEHBGQWFJRUYGY-VIFPVBQESA-N 2 0 213.325 0.276 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655516804 411187037 /nfs/dbraw/zinc/18/70/37/411187037.db2.gz ZESVWLBAJRXMLZ-BQBZGAKWSA-N 2 0 241.257 0.380 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CC(C2CC2)C1 ZINC000656152405 411187170 /nfs/dbraw/zinc/18/71/70/411187170.db2.gz BQCOMUYPIOKJQC-GFCCVEGCSA-N 2 0 212.337 0.641 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)C(F)(F)F)C1 ZINC000656153951 411188211 /nfs/dbraw/zinc/18/82/11/411188211.db2.gz QPPUVBJIAORFNS-YIZRAAEISA-N 2 0 240.269 0.839 20 0 BCADRP C[C@@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)S(C)(=O)=O ZINC000656153764 411188609 /nfs/dbraw/zinc/18/86/09/411188609.db2.gz MUDBPTWCMVDDDK-GARJFASQSA-N 2 0 248.392 0.349 20 0 BCADRP C[NH2+]CCCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000309657209 411195168 /nfs/dbraw/zinc/19/51/68/411195168.db2.gz WKONKDFOMCIGKD-JTQLQIEISA-N 2 0 213.325 0.244 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000656193081 411198500 /nfs/dbraw/zinc/19/85/00/411198500.db2.gz MBRBAMNOFNYWSI-GRYCIOLGSA-N 3 0 223.364 0.988 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+]C[C@H](C)C[NH+](C)C ZINC000658017916 411198642 /nfs/dbraw/zinc/19/86/42/411198642.db2.gz MBNSKQCVVKCFHA-WDEREUQCSA-N 2 0 225.340 0.454 20 0 BCADRP Cn1nnc2c1CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)C2 ZINC000656193819 411199656 /nfs/dbraw/zinc/19/96/56/411199656.db2.gz UMEJQJMFAXWYFD-WDEREUQCSA-N 2 0 249.362 0.404 20 0 BCADRP Cn1nnc2c1CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C2 ZINC000656193294 411200873 /nfs/dbraw/zinc/20/08/73/411200873.db2.gz FFPVIWYPLLDEHT-DCAQKATOSA-N 2 0 249.362 0.532 20 0 BCADRP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656199095 411202171 /nfs/dbraw/zinc/20/21/71/411202171.db2.gz LIZACRJKAWNGBG-FDYHWXHSSA-N 2 0 242.363 0.897 20 0 BCADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)S(C)(=O)=O ZINC000656198180 411203428 /nfs/dbraw/zinc/20/34/28/411203428.db2.gz JVIUEIRFUXCARX-BBBLOLIVSA-N 2 0 234.365 0.279 20 0 BCADRP CCOC1CC[NH+](C[C@@](C)(O)C[NH2+]C)CC1 ZINC000652337063 411203614 /nfs/dbraw/zinc/20/36/14/411203614.db2.gz GDNBXVZIIAVYSB-LBPRGKRZSA-N 2 0 230.352 0.458 20 0 BCADRP C[NH2+]C[C@](C)(O)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000652338643 411203889 /nfs/dbraw/zinc/20/38/89/411203889.db2.gz KFPSGHXJWYKFME-STQMWFEESA-N 2 0 243.395 0.230 20 0 BCADRP CCO[C@H]1CCC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000652337232 411204109 /nfs/dbraw/zinc/20/41/09/411204109.db2.gz XIBLINHYYBRCLO-NWDGAFQWSA-N 2 0 230.352 0.458 20 0 BCADRP COCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000656199712 411204469 /nfs/dbraw/zinc/20/44/69/411204469.db2.gz BIYHVEQQMHKSGQ-GRYCIOLGSA-N 2 0 242.363 0.755 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656200033 411204567 /nfs/dbraw/zinc/20/45/67/411204567.db2.gz DUEFXVLWASTMMU-KYXWUPHJSA-N 2 0 211.309 0.110 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000656200257 411204955 /nfs/dbraw/zinc/20/49/55/411204955.db2.gz KNLFDRZOKLHFKW-IVZWLZJFSA-N 2 0 237.351 0.388 20 0 BCADRP C[C@@H]([NH3+])CN1CCC(Cn2cnnc2)CC1 ZINC000652353334 411211694 /nfs/dbraw/zinc/21/16/94/411211694.db2.gz AEMUGKUAVFLZKB-SNVBAGLBSA-N 2 0 223.324 0.337 20 0 BCADRP CO[C@](C)(CO)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000655785313 411226810 /nfs/dbraw/zinc/22/68/10/411226810.db2.gz LCYKFCIEQAMUJT-UTUOFQBUSA-N 2 0 230.352 0.456 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)C[NH3+])C1 ZINC000659611188 411232392 /nfs/dbraw/zinc/23/23/92/411232392.db2.gz QLOQPJTZCJKRIY-JTQLQIEISA-N 2 0 242.367 0.507 20 0 BCADRP CO[C@](C)(CO)C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000655786743 411235034 /nfs/dbraw/zinc/23/50/34/411235034.db2.gz RXXYETIQCKDLSA-WZRBSPASSA-N 2 0 242.363 0.599 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CCO)C1 ZINC000310422141 411236828 /nfs/dbraw/zinc/23/68/28/411236828.db2.gz QVIBSFNSRAYOOJ-QWHCGFSZSA-N 2 0 244.379 0.393 20 0 BCADRP CCC[N@H+](CC[C@H]1CC[NH2+]C1)CC(=O)NC ZINC000396730593 411240740 /nfs/dbraw/zinc/24/07/40/411240740.db2.gz DNYMCBXLRSWARC-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP CC1(C)C[N@H+](CCN2CC[NH2+]CC2)CCCO1 ZINC000310551082 411242088 /nfs/dbraw/zinc/24/20/88/411242088.db2.gz GKYNDZJTTOPGBC-UHFFFAOYSA-N 2 0 241.379 0.393 20 0 BCADRP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400946378 411165771 /nfs/dbraw/zinc/16/57/71/411165771.db2.gz CYOWSSZCPBANIB-IRCOFANPSA-N 2 0 239.363 0.489 20 0 BCADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n[nH]1 ZINC000400958373 411166461 /nfs/dbraw/zinc/16/64/61/411166461.db2.gz IAQDIEQPOWKAHX-GMTAPVOTSA-N 2 0 220.320 0.887 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400951529 411166483 /nfs/dbraw/zinc/16/64/83/411166483.db2.gz HPDCGIVJZHMVND-GWOFURMSSA-N 2 0 225.336 0.228 20 0 BCADRP COCCOCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400953552 411166580 /nfs/dbraw/zinc/16/65/80/411166580.db2.gz IJQRXKIHEUNENZ-RWMBFGLXSA-N 2 0 242.363 0.627 20 0 BCADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n[nH]1 ZINC000400958379 411166689 /nfs/dbraw/zinc/16/66/89/411166689.db2.gz IAQDIEQPOWKAHX-OUAUKWLOSA-N 2 0 220.320 0.887 20 0 BCADRP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(N)=O ZINC000400966994 411166753 /nfs/dbraw/zinc/16/67/53/411166753.db2.gz KYHZEDYNQYGZSF-GMTAPVOTSA-N 2 0 239.363 0.476 20 0 BCADRP COC[C@H](O)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400952207 411166790 /nfs/dbraw/zinc/16/67/90/411166790.db2.gz HXKVYVBPGFNQIY-YVECIDJPSA-N 2 0 242.363 0.362 20 0 BCADRP COC[C@H](CCO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400981389 411167643 /nfs/dbraw/zinc/16/76/43/411167643.db2.gz VQWLETSYKFPSRO-XQHKEYJVSA-N 2 0 242.363 0.362 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000062858942 411327189 /nfs/dbraw/zinc/32/71/89/411327189.db2.gz XMLZEYSQEANKNE-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396454420 411265919 /nfs/dbraw/zinc/26/59/19/411265919.db2.gz IVMJZBMPKMJQRN-GHMZBOCLSA-N 2 0 241.379 0.688 20 0 BCADRP C[C@H]([NH3+])Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000656457725 411266489 /nfs/dbraw/zinc/26/64/89/411266489.db2.gz ZPMCEPJIGWVWMM-DTWKUNHWSA-N 2 0 209.297 0.092 20 0 BCADRP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH2+]C)CC[C@@H]1[NH3+] ZINC000659637665 411272834 /nfs/dbraw/zinc/27/28/34/411272834.db2.gz CVFHGGSZFJFDGQ-MXWKQRLJSA-N 2 0 242.367 0.363 20 0 BCADRP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH2+]C)CC[C@@H]1[NH3+] ZINC000659637643 411273461 /nfs/dbraw/zinc/27/34/61/411273461.db2.gz CVFHGGSZFJFDGQ-AXFHLTTASA-N 2 0 242.367 0.363 20 0 BCADRP CC(C)[C@@H]([NH3+])c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656466222 411278749 /nfs/dbraw/zinc/27/87/49/411278749.db2.gz AHVKRGNYPFLSDB-GXSJLCMTSA-N 2 0 223.324 0.858 20 0 BCADRP C[NH2+][C@H](C)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656466999 411279537 /nfs/dbraw/zinc/27/95/37/411279537.db2.gz IXLCSEGBNRPWBZ-BDAKNGLRSA-N 2 0 209.297 0.483 20 0 BCADRP c1c(C2CC[NH2+]CC2)nnn1[C@H]1CCC[NH2+]C1 ZINC000656467252 411279617 /nfs/dbraw/zinc/27/96/17/411279617.db2.gz MDSXJHAMVKRARA-NSHDSACASA-N 2 0 235.335 0.670 20 0 BCADRP c1c(C[C@H]2CCC[NH2+]C2)nnn1[C@@H]1CCC[NH2+]C1 ZINC000656467362 411279728 /nfs/dbraw/zinc/27/97/28/411279728.db2.gz OUPKNFYJPBRFGL-DGCLKSJQSA-N 2 0 249.362 0.745 20 0 BCADRP c1c([C@H]2CCC[NH2+]C2)nnn1[C@H]1CC[NH2+]C1 ZINC000656467407 411279732 /nfs/dbraw/zinc/27/97/32/411279732.db2.gz AWMCXLVOMHRJJI-UWVGGRQHSA-N 2 0 221.308 0.280 20 0 BCADRP CC[C@H]([NH3+])c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656467357 411279754 /nfs/dbraw/zinc/27/97/54/411279754.db2.gz OQOWWJQLJKSPBM-IUCAKERBSA-N 2 0 209.297 0.612 20 0 BCADRP C[C@@H]1CC[C@H](C[N@H+](C)CCN2CC[NH2+]CC2)O1 ZINC000129383124 411280534 /nfs/dbraw/zinc/28/05/34/411280534.db2.gz YUQYMVZRTCEESC-CHWSQXEVSA-N 2 0 241.379 0.391 20 0 BCADRP [NH3+]Cc1cccc(-c2cn([C@H]3CC[NH2+]C3)nn2)c1 ZINC000656468251 411280788 /nfs/dbraw/zinc/28/07/88/411280788.db2.gz YCOQFNLGCJXXTB-LBPRGKRZSA-N 2 0 243.314 0.938 20 0 BCADRP [NH3+]CCCCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000656468936 411280950 /nfs/dbraw/zinc/28/09/50/411280950.db2.gz VVIKHDQZSPFVPW-SNVBAGLBSA-N 2 0 209.297 0.094 20 0 BCADRP C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC000428153452 411282204 /nfs/dbraw/zinc/28/22/04/411282204.db2.gz HKEHCEGRSVOIQT-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062899030 411329537 /nfs/dbraw/zinc/32/95/37/411329537.db2.gz QFAGZUYHVPHUGP-CMPLNLGQSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NC(C)(C)C[NH+](C)C ZINC000659643589 411293414 /nfs/dbraw/zinc/29/34/14/411293414.db2.gz SKWOYHDSASBITI-VIFPVBQESA-N 2 0 230.356 0.234 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000659302112 411294441 /nfs/dbraw/zinc/29/44/41/411294441.db2.gz GUILFNXDCLIUMS-GFCCVEGCSA-N 2 0 227.352 0.490 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000647733678 411305613 /nfs/dbraw/zinc/30/56/13/411305613.db2.gz VSBVWZXLKTVLQX-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000336425951 167903749 /nfs/dbraw/zinc/90/37/49/167903749.db2.gz TXVQAFLZSRKDAR-GHMZBOCLSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1[C@H](C)O ZINC000661766942 411309720 /nfs/dbraw/zinc/30/97/20/411309720.db2.gz HLSUSKYSHFYYSE-YNEHKIRRSA-N 2 0 244.379 0.533 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000653444814 411255802 /nfs/dbraw/zinc/25/58/02/411255802.db2.gz PXMGLVMRRWRTLC-BBBLOLIVSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000653444605 411256366 /nfs/dbraw/zinc/25/63/66/411256366.db2.gz ZHGUPCOHGZLPCE-AXTSPUMRSA-N 2 0 211.309 0.062 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCC(C)(C)[NH3+] ZINC000653445789 411257359 /nfs/dbraw/zinc/25/73/59/411257359.db2.gz WIEGOEBRBNXYRJ-ZJUUUORDSA-N 2 0 227.352 0.842 20 0 BCADRP C[NH2+][C@@H]1CCN(c2nc(N)[nH+]c3c2CCCC3)C1 ZINC000114193275 411257386 /nfs/dbraw/zinc/25/73/86/411257386.db2.gz ZWSSEDGUWNMSRJ-SECBINFHSA-N 2 0 247.346 0.736 20 0 BCADRP C[C@@H]([NH2+][C@H]1C[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000658350289 411352470 /nfs/dbraw/zinc/35/24/70/411352470.db2.gz OHEUPWKMASCTDD-YUSALJHKSA-N 2 0 212.337 0.830 20 0 BCADRP CN(Cc1ccc(N)nc1)CC(C)(C)[NH3+] ZINC000656784662 411361811 /nfs/dbraw/zinc/36/18/11/411361811.db2.gz HAVHXFTUDKCYBK-UHFFFAOYSA-N 2 0 208.309 0.833 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000658974006 411364913 /nfs/dbraw/zinc/36/49/13/411364913.db2.gz XXMZYPSQIVISFO-UTLUCORTSA-N 2 0 213.325 0.165 20 0 BCADRP C[NH2+]CCNCc1ccc2c(c1)C[NH2+]CC2 ZINC000656787431 411366476 /nfs/dbraw/zinc/36/64/76/411366476.db2.gz YSKYRYNIIWKFNK-UHFFFAOYSA-N 2 0 219.332 0.641 20 0 BCADRP [NH3+]C1(CN[C@@H]2CCC[NH2+]CC2)CCCC1 ZINC000656789654 411368591 /nfs/dbraw/zinc/36/85/91/411368591.db2.gz USBIQTXNCWXJLD-LLVKDONJSA-N 2 0 211.353 0.990 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+]C[C@@]1(C)CC1(F)F ZINC000656710566 411335961 /nfs/dbraw/zinc/33/59/61/411335961.db2.gz KAFOOKPBFRNRKS-NXEZZACHSA-N 2 0 236.306 0.934 20 0 BCADRP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000654137774 411340399 /nfs/dbraw/zinc/34/03/99/411340399.db2.gz QRDPGIPDIWOBRH-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP CC1(CNC(=O)C2([NH3+])CCC2)CC[NH2+]CC1 ZINC000335456387 168028809 /nfs/dbraw/zinc/02/88/09/168028809.db2.gz MIQPBUCOOKCVSJ-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000335019281 168176961 /nfs/dbraw/zinc/17/69/61/168176961.db2.gz KSZPMBDZWNAPMU-NSHDSACASA-N 2 0 225.336 0.278 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000040833015 168179016 /nfs/dbraw/zinc/17/90/16/168179016.db2.gz KJFIEQRFDLWQFO-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC[NH+]1CCC(C)CC1 ZINC000054343520 168181199 /nfs/dbraw/zinc/18/11/99/168181199.db2.gz NJUDTNLTCNRRIJ-NSHDSACASA-N 2 0 227.352 0.429 20 0 BCADRP CC1CC[NH+](CCNC(=O)CCC[NH3+])CC1 ZINC000040772616 168181724 /nfs/dbraw/zinc/18/17/24/168181724.db2.gz DZZFLXJYVLCYME-UHFFFAOYSA-N 2 0 227.352 0.573 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC[NH+]1CCC(C)CC1 ZINC000040772661 168181878 /nfs/dbraw/zinc/18/18/78/168181878.db2.gz DLTISOWLGMGGFS-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](CNC(=O)CC[NH3+])[NH+]1CCC(C)CC1 ZINC000236626586 168186096 /nfs/dbraw/zinc/18/60/96/168186096.db2.gz HWPLHXMRKJPMDS-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](C(=O)N(C)CC[NH+]1CCCCC1)[NH+](C)C ZINC000652989989 411389327 /nfs/dbraw/zinc/38/93/27/411389327.db2.gz AFWXSSQKQJZEMD-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP [NH3+]C1(C(=O)NC[C@@H]2CCC[NH2+]2)CC2(CCC2)C1 ZINC000659295674 411390268 /nfs/dbraw/zinc/39/02/68/411390268.db2.gz XYVGSFRQQNRYMD-JTQLQIEISA-N 2 0 237.347 0.516 20 0 BCADRP CC[NH+]1CCC([NH2+]CC[C@]2(O)CCOC2)CC1 ZINC000404240608 411385366 /nfs/dbraw/zinc/38/53/66/411385366.db2.gz WXVJIFCNPHHAFS-ZDUSSCGKSA-N 2 0 242.363 0.602 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000659295931 411387309 /nfs/dbraw/zinc/38/73/09/411387309.db2.gz HNXVJTAZYAVZDP-LLVKDONJSA-N 2 0 213.325 0.228 20 0 BCADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC([NH+](C)C)C1 ZINC000357558978 168300726 /nfs/dbraw/zinc/30/07/26/168300726.db2.gz AKNUNXIQQSZTEJ-JTQLQIEISA-N 2 0 241.379 0.926 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000659493351 411459920 /nfs/dbraw/zinc/45/99/20/411459920.db2.gz FKXMBJCNVFYZLE-QWRGUYRKSA-N 2 0 244.383 0.622 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)NC(C)(C)CCC[NH3+] ZINC000659312348 411393041 /nfs/dbraw/zinc/39/30/41/411393041.db2.gz DQEKVFLQHFCTAX-JTQLQIEISA-N 2 0 245.367 0.372 20 0 BCADRP C[C@H]1CCC[N@H+](CCn2cncn2)[C@H]1CC[NH3+] ZINC000404413793 411394995 /nfs/dbraw/zinc/39/49/95/411394995.db2.gz ZPKQQIRBGZZKIB-RYUDHWBXSA-N 2 0 237.351 0.727 20 0 BCADRP C[C@@H]1CCC[N@H+](CCn2cncn2)[C@@H]1CC[NH3+] ZINC000404413796 411395533 /nfs/dbraw/zinc/39/55/33/411395533.db2.gz ZPKQQIRBGZZKIB-VXGBXAGGSA-N 2 0 237.351 0.727 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000309450428 411396621 /nfs/dbraw/zinc/39/66/21/411396621.db2.gz MJDIEIRMOXFILO-SNVBAGLBSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653042972 411401598 /nfs/dbraw/zinc/40/15/98/411401598.db2.gz QVSYRTUOUKPFJK-GHMZBOCLSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653042975 411401806 /nfs/dbraw/zinc/40/18/06/411401806.db2.gz QVSYRTUOUKPFJK-WDEREUQCSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]CC1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000653043830 411402035 /nfs/dbraw/zinc/40/20/35/411402035.db2.gz CYGDOEYIFBYHOU-NWDGAFQWSA-N 2 0 239.363 0.701 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653044833 411402341 /nfs/dbraw/zinc/40/23/41/411402341.db2.gz DQHOXDVSTMSLER-LLVKDONJSA-N 2 0 227.352 0.492 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653045578 411402985 /nfs/dbraw/zinc/40/29/85/411402985.db2.gz ZPLIUVAEOWGQQX-NEPJUHHUSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653047740 411404022 /nfs/dbraw/zinc/40/40/22/411404022.db2.gz PAKHCHXVJKMWLF-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC000653050431 411405037 /nfs/dbraw/zinc/40/50/37/411405037.db2.gz ZZAZUDIGHKIVCR-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]CC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659371251 411405485 /nfs/dbraw/zinc/40/54/85/411405485.db2.gz VLGCOCZKHGXSNX-LBPRGKRZSA-N 2 0 249.314 0.505 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653051329 411405560 /nfs/dbraw/zinc/40/55/60/411405560.db2.gz UTSIXSIKPSZILP-SDDRHHMPSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@H]([NH3+])C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659371593 411405585 /nfs/dbraw/zinc/40/55/85/411405585.db2.gz XFSFKEYVSHSFPC-JOYOIKCWSA-N 2 0 249.314 0.633 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653053834 411405968 /nfs/dbraw/zinc/40/59/68/411405968.db2.gz MXKHEXRYSTZGJA-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653053415 411406084 /nfs/dbraw/zinc/40/60/84/411406084.db2.gz HSJXKJWJYDJDQR-QWRGUYRKSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653053789 411406091 /nfs/dbraw/zinc/40/60/91/411406091.db2.gz KEJOPAVBCQCUAB-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CC1 ZINC000653053356 411406238 /nfs/dbraw/zinc/40/62/38/411406238.db2.gz BVCWNEADULTKFA-HBNTYKKESA-N 2 0 225.336 0.357 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659378602 411406732 /nfs/dbraw/zinc/40/67/32/411406732.db2.gz JJTOBBVFOCVSJS-NOOOWODRSA-N 2 0 239.363 0.570 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](C)C[NH2+]C ZINC000659445669 411412963 /nfs/dbraw/zinc/41/29/63/411412963.db2.gz JLOZHYPXJYNFBX-WDEREUQCSA-N 2 0 244.383 0.624 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](C)C[NH2+]C ZINC000659449090 411416413 /nfs/dbraw/zinc/41/64/13/411416413.db2.gz QFMJAFIUNRMPPH-MNOVXSKESA-N 2 0 244.383 0.624 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000659460320 411417382 /nfs/dbraw/zinc/41/73/82/411417382.db2.gz OAIJNDLMDOHOQH-GARJFASQSA-N 2 0 242.367 0.376 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000659512313 411425310 /nfs/dbraw/zinc/42/53/10/411425310.db2.gz UWTIWZGZSQVSPE-AXFHLTTASA-N 2 0 242.367 0.282 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)NCC[NH2+]CC)C1 ZINC000659515459 411426253 /nfs/dbraw/zinc/42/62/53/411426253.db2.gz UJDHXQOTHHVWMT-NSHDSACASA-N 2 0 242.367 0.379 20 0 BCADRP [NH3+]C1(CNC(=O)N[C@H]2CCC[NH2+]C2)CCCC1 ZINC000659516277 411426537 /nfs/dbraw/zinc/42/65/37/411426537.db2.gz HQUINWWZVGDTEW-JTQLQIEISA-N 2 0 240.351 0.309 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](C)C[NH3+])C1 ZINC000659525416 411427917 /nfs/dbraw/zinc/42/79/17/411427917.db2.gz GEAQCFRXBCFXTK-GHMZBOCLSA-N 2 0 242.367 0.365 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@@H](C)C[NH2+]C ZINC000659525276 411428174 /nfs/dbraw/zinc/42/81/74/411428174.db2.gz YIEMFYVIZNZDIG-VHSXEESVSA-N 2 0 230.356 0.411 20 0 BCADRP CC[NH2+]CCCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659505839 411462956 /nfs/dbraw/zinc/46/29/56/411462956.db2.gz RLIUOCZDCUGVCU-NXEZZACHSA-N 2 0 246.330 0.067 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659531868 411430224 /nfs/dbraw/zinc/43/02/24/411430224.db2.gz FBJMMYIZWQMCQP-ZJUUUORDSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@]([NH3+])(C(=O)NCCCC[NH3+])c1ccccc1 ZINC000052882709 411430635 /nfs/dbraw/zinc/43/06/35/411430635.db2.gz XCBXGQNIDZGIFD-CYBMUJFWSA-N 2 0 235.331 0.716 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000659536136 411431374 /nfs/dbraw/zinc/43/13/74/411431374.db2.gz GKDCXSMDZGDAIQ-IVZWLZJFSA-N 2 0 228.340 0.163 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH3+])C1 ZINC000659541086 411432447 /nfs/dbraw/zinc/43/24/47/411432447.db2.gz ZOJLCXDMIQTUSB-UWVGGRQHSA-N 2 0 228.340 0.117 20 0 BCADRP [NH3+]C/C=C\CNC(=O)NCC1([NH3+])CCCC1 ZINC000659544614 411432789 /nfs/dbraw/zinc/43/27/89/411432789.db2.gz VFQFOUHIANKVMA-ARJAWSKDSA-N 2 0 226.324 0.072 20 0 BCADRP C[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])[C@H](C)[NH3+] ZINC000659547855 411434096 /nfs/dbraw/zinc/43/40/96/411434096.db2.gz FFKMXQGCRXCYMB-JGVFFNPUSA-N 2 0 216.329 0.101 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659555205 411435543 /nfs/dbraw/zinc/43/55/43/411435543.db2.gz ZEPPWZAOZCSIEE-GRZMOONWSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000654737317 411437159 /nfs/dbraw/zinc/43/71/59/411437159.db2.gz OAFPWVSDTGUINI-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+]C1(C2CC2)CC1 ZINC000653614204 411441309 /nfs/dbraw/zinc/44/13/09/411441309.db2.gz SJHATKBRTRIGRU-LLVKDONJSA-N 2 0 212.337 0.831 20 0 BCADRP CCO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000405836130 411442470 /nfs/dbraw/zinc/44/24/70/411442470.db2.gz CPIRZLKZGHWYMD-QJPTWQEYSA-N 2 0 228.336 0.319 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000659618354 411442674 /nfs/dbraw/zinc/44/26/74/411442674.db2.gz GXLZSJYTEQYHMQ-GHMZBOCLSA-N 2 0 242.367 0.363 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC[C@H]1[NH3+] ZINC000637845515 411445152 /nfs/dbraw/zinc/44/51/52/411445152.db2.gz PUKWZXWSQKLEMN-UTUOFQBUSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000659641200 411446194 /nfs/dbraw/zinc/44/61/94/411446194.db2.gz DSIOOZXTNOXVEU-GARJFASQSA-N 2 0 242.367 0.506 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000638536209 411472461 /nfs/dbraw/zinc/47/24/61/411472461.db2.gz HQTYLFSCPKIHEV-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP CO[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCOC1 ZINC000659850349 411475473 /nfs/dbraw/zinc/47/54/73/411475473.db2.gz OKENFGSBLFIZHO-FVCCEPFGSA-N 2 0 240.347 0.189 20 0 BCADRP Nc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000659848629 411476567 /nfs/dbraw/zinc/47/65/67/411476567.db2.gz ATZXXSOWLLDSRQ-VXGBXAGGSA-N 2 0 217.316 0.920 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659521071 411476651 /nfs/dbraw/zinc/47/66/51/411476651.db2.gz BSZZKLIKWBWVHI-SNVBAGLBSA-N 2 0 244.383 0.739 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000659523251 411480978 /nfs/dbraw/zinc/48/09/78/411480978.db2.gz SAMUJQSXZBVHNM-UWVGGRQHSA-N 2 0 230.356 0.267 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407354926 411481248 /nfs/dbraw/zinc/48/12/48/411481248.db2.gz NUYFIIBENQUAPT-NEPJUHHUSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000659530031 411489105 /nfs/dbraw/zinc/48/91/05/411489105.db2.gz NMVQXPORAPNDKF-CMPLNLGQSA-N 2 0 242.367 0.283 20 0 BCADRP CC(C)(C)C[N@H+](CCO)C[C@H]1CC[NH2+]C1 ZINC000309484571 411499239 /nfs/dbraw/zinc/49/92/39/411499239.db2.gz FSXYODLXEAXJNU-NSHDSACASA-N 2 0 214.353 0.936 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659535200 411501125 /nfs/dbraw/zinc/50/11/25/411501125.db2.gz IIRKDDIXCLRSFW-UWVGGRQHSA-N 2 0 242.367 0.363 20 0 BCADRP COC[C@H](C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)OC ZINC000659947056 411507099 /nfs/dbraw/zinc/50/70/99/411507099.db2.gz JNUUQPXCHKVTJB-OLZOCXBDSA-N 2 0 244.379 0.921 20 0 BCADRP [NH3+]CCCC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638873140 411511679 /nfs/dbraw/zinc/51/16/79/411511679.db2.gz DQSJRDHXNSWYMN-ZDUSSCGKSA-N 2 0 249.358 0.802 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000069633765 411465323 /nfs/dbraw/zinc/46/53/23/411465323.db2.gz HDMUCWVRHZOXBF-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)CCC(C)(C)[NH3+] ZINC000069633962 411465975 /nfs/dbraw/zinc/46/59/75/411465975.db2.gz FLRXORLTJPOQEE-UHFFFAOYSA-N 2 0 229.368 0.960 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000250395428 170005873 /nfs/dbraw/zinc/00/58/73/170005873.db2.gz YOOMDHDSAXCHAO-NEPJUHHUSA-N 2 0 239.363 0.444 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062114218 170008121 /nfs/dbraw/zinc/00/81/21/170008121.db2.gz HVXCZUZAUXNRSU-WDEREUQCSA-N 2 0 225.336 0.054 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCC[NH3+])C[C@@H]1C ZINC000357065270 170009871 /nfs/dbraw/zinc/00/98/71/170009871.db2.gz ABXNLHFIEQXVHO-QWHCGFSZSA-N 2 0 243.395 0.766 20 0 BCADRP C[C@H](CO)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657328348 411466476 /nfs/dbraw/zinc/46/64/76/411466476.db2.gz SONCTXYWJNOTGY-NSHDSACASA-N 2 0 246.314 0.985 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C)[C@H](C)C1 ZINC000362374780 170010121 /nfs/dbraw/zinc/01/01/21/170010121.db2.gz DEUNVUJSRBTOTE-VXGBXAGGSA-N 2 0 241.379 0.737 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOCCO)[C@@H](C)C1 ZINC000305869949 170013206 /nfs/dbraw/zinc/01/32/06/170013206.db2.gz OADRJXMSXKMKEU-QWHCGFSZSA-N 2 0 244.379 0.705 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C)[NH3+])C1 ZINC000037484156 170015048 /nfs/dbraw/zinc/01/50/48/170015048.db2.gz VXSQCQOFBYSDOU-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000248504232 170015403 /nfs/dbraw/zinc/01/54/03/170015403.db2.gz VIHKGSMHYNZIMX-GARJFASQSA-N 2 0 227.352 0.428 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C)[C@@H](C)C1 ZINC000362374779 170017265 /nfs/dbraw/zinc/01/72/65/170017265.db2.gz DEUNVUJSRBTOTE-RYUDHWBXSA-N 2 0 241.379 0.737 20 0 BCADRP CC[N@@H+]1CC[C@H](CN[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000336751570 170017413 /nfs/dbraw/zinc/01/74/13/170017413.db2.gz CIPUVJCXQGAHQB-XQQFMLRXSA-N 2 0 225.380 0.868 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)NC)C[C@H]1C ZINC000354210331 170018289 /nfs/dbraw/zinc/01/82/89/170018289.db2.gz SJSDPWWKIKVJNN-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCCO)C[C@H]1C ZINC000336715758 170018897 /nfs/dbraw/zinc/01/88/97/170018897.db2.gz UVDWETZJQKKEFP-OLZOCXBDSA-N 2 0 244.379 0.800 20 0 BCADRP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000335150625 170019620 /nfs/dbraw/zinc/01/96/20/170019620.db2.gz PBPOEQJBYLGKPQ-QWRGUYRKSA-N 2 0 225.336 0.149 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COCCO2)[C@@H](C)C1 ZINC000358224509 170020192 /nfs/dbraw/zinc/02/01/92/170020192.db2.gz QXQUBJFMKFFZSZ-XQQFMLRXSA-N 2 0 242.363 0.722 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC(=O)NC)[C@H](C)C1 ZINC000358023786 170020843 /nfs/dbraw/zinc/02/08/43/170020843.db2.gz KZARXMJHNCAIMR-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)O)[C@H](C)C1 ZINC000119456061 170020850 /nfs/dbraw/zinc/02/08/50/170020850.db2.gz QCIBDOVOWLACPH-MXWKQRLJSA-N 2 0 200.326 0.687 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(C)C2)[C@H](C)C1 ZINC000358085592 170022666 /nfs/dbraw/zinc/02/26/66/170022666.db2.gz NTHMCWPTDSBWTI-UTUOFQBUSA-N 2 0 239.363 0.537 20 0 BCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C[NH3+] ZINC000357246085 170023624 /nfs/dbraw/zinc/02/36/24/170023624.db2.gz XBPALCYQHITJET-UTUOFQBUSA-N 2 0 239.363 0.666 20 0 BCADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH3+] ZINC000236848514 170024362 /nfs/dbraw/zinc/02/43/62/170024362.db2.gz KHRVXEKXQPHHII-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP CC[NH2+]CC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000113656057 170110199 /nfs/dbraw/zinc/11/01/99/170110199.db2.gz DVIXHPICTBSAAE-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000236947858 170114678 /nfs/dbraw/zinc/11/46/78/170114678.db2.gz CDEHZNJRHRIUNQ-GFCCVEGCSA-N 2 0 235.331 0.282 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000236947954 170114749 /nfs/dbraw/zinc/11/47/49/170114749.db2.gz MBXSPTXQUAACJY-LLVKDONJSA-N 2 0 221.304 0.412 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]([NH3+])[C@H](C)CC ZINC000236947921 170114891 /nfs/dbraw/zinc/11/48/91/170114891.db2.gz XLEVIHIPQZEZJL-RKDXNWHRSA-N 2 0 201.314 0.086 20 0 BCADRP CCOC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069724277 170218619 /nfs/dbraw/zinc/21/86/19/170218619.db2.gz KXDVLSWITFRCIZ-JTQLQIEISA-N 2 0 214.309 0.610 20 0 BCADRP COCC[NH2+]CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000131539473 411556877 /nfs/dbraw/zinc/55/68/77/411556877.db2.gz HJYJLUYFINASSY-UHFFFAOYSA-N 2 0 237.303 0.320 20 0 BCADRP CCOC1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000042277329 170332825 /nfs/dbraw/zinc/33/28/25/170332825.db2.gz DCANPKLZLPIACE-UHFFFAOYSA-N 2 0 241.379 0.393 20 0 BCADRP CCOCC[N@H+](CC)CCN1CC[NH2+]CC1 ZINC000082537240 170394999 /nfs/dbraw/zinc/39/49/99/170394999.db2.gz HMUVXMQOGNSZFG-UHFFFAOYSA-N 2 0 229.368 0.250 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NCC[NH2+]C2CC2)cc1 ZINC000131806585 411627794 /nfs/dbraw/zinc/62/77/94/411627794.db2.gz XJALCRHORYJVHY-UHFFFAOYSA-N 2 0 233.315 0.627 20 0 BCADRP CCNC(=O)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660652053 411613453 /nfs/dbraw/zinc/61/34/53/411613453.db2.gz FRCZXRLRBJXPEU-CYBMUJFWSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000657876353 411615399 /nfs/dbraw/zinc/61/53/99/411615399.db2.gz LLTUXHBFPMUWBX-RYUDHWBXSA-N 2 0 237.351 0.598 20 0 BCADRP CCCN(CCC)C(=O)CN(C)CCC[NH3+] ZINC000133221527 411657991 /nfs/dbraw/zinc/65/79/91/411657991.db2.gz QVZKANDZNSEIOD-UHFFFAOYSA-N 2 0 229.368 0.916 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@]12C[C@H]1C[NH2+]C2 ZINC000663494325 411667502 /nfs/dbraw/zinc/66/75/02/411667502.db2.gz NVLKOFFZRAMDLE-WHOHXGKFSA-N 2 0 209.337 0.278 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663493452 411670869 /nfs/dbraw/zinc/67/08/69/411670869.db2.gz BSKCMOAHYJLPPT-WHOHXGKFSA-N 2 0 209.337 0.265 20 0 BCADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663492682 411671313 /nfs/dbraw/zinc/67/13/13/411671313.db2.gz AZNMAYDATAOPPR-XQQFMLRXSA-N 3 0 223.364 0.657 20 0 BCADRP CN(C[C@@]12C[C@@H]1C[NH2+]C2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000663493325 411672675 /nfs/dbraw/zinc/67/26/75/411672675.db2.gz AEASRSNPRLSNQW-YIPFDTCYSA-N 2 0 235.375 0.811 20 0 BCADRP CN(C[C@]12C[C@H]1C[NH2+]C2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000663493322 411673027 /nfs/dbraw/zinc/67/30/27/411673027.db2.gz AEASRSNPRLSNQW-BEUHCMRWSA-N 2 0 235.375 0.811 20 0 BCADRP C[C@@H]1CN(C[C@@]23C[C@@H]2C[NH2+]C3)CC[C@@H]1[NH3+] ZINC000663494380 411673540 /nfs/dbraw/zinc/67/35/40/411673540.db2.gz IPBJEFWMSWEKDO-WYUUTHIRSA-N 2 0 209.337 0.265 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663494708 411674641 /nfs/dbraw/zinc/67/46/41/411674641.db2.gz KQPQPELUQDWIDE-RWMBFGLXSA-N 2 0 223.364 0.527 20 0 BCADRP C[C@H](C[NH3+])N(C)Cc1nc2c(s1)C[NH2+]CC2 ZINC000663494981 411674878 /nfs/dbraw/zinc/67/48/78/411674878.db2.gz MKQXPUJZOMIKSY-MRVPVSSYSA-N 2 0 240.376 0.568 20 0 BCADRP C(C[C@H]1CC[NH2+]C1)[NH2+]C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663495602 411675672 /nfs/dbraw/zinc/67/56/72/411675672.db2.gz ZQHJFCWPKKTEGW-IJLUTSLNSA-N 3 0 209.337 0.185 20 0 BCADRP C[NH2+]C1CCN(C[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC000663494557 411675721 /nfs/dbraw/zinc/67/57/21/411675721.db2.gz JJKUPPDRPPQXPT-CMPLNLGQSA-N 2 0 209.337 0.280 20 0 BCADRP CCC([NH3+])(CC)CNC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663495593 411675837 /nfs/dbraw/zinc/67/58/37/411675837.db2.gz ZLSPIBIKPCWWMF-MNOVXSKESA-N 2 0 211.353 0.703 20 0 BCADRP CC1(C)C[NH2+]CCN1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663496562 411677094 /nfs/dbraw/zinc/67/70/94/411677094.db2.gz VZEQHFUOECNXOM-PWSUYJOCSA-N 2 0 209.337 0.280 20 0 BCADRP [NH3+]CCC1CC[NH+](C[C@]23C[C@H]2C[NH2+]C3)CC1 ZINC000663498757 411681156 /nfs/dbraw/zinc/68/11/56/411681156.db2.gz TYQSBRHEEJMWMY-QWHCGFSZSA-N 3 0 223.364 0.657 20 0 BCADRP [NH3+]Cc1ccc(C[NH2+]C[C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000663498405 411682434 /nfs/dbraw/zinc/68/24/34/411682434.db2.gz SLVZFTPVRSNXMP-KBPBESRZSA-N 3 0 231.343 0.844 20 0 BCADRP [NH3+]CC[C@H](NC[C@@]12C[C@@H]1C[NH2+]C2)C(F)(F)F ZINC000663500165 411682968 /nfs/dbraw/zinc/68/29/68/411682968.db2.gz YMSUBCBIVXINEX-VGMNWLOBSA-N 2 0 237.269 0.465 20 0 BCADRP C[C@H](C[C@H]1CCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000663499978 411684446 /nfs/dbraw/zinc/68/44/46/411684446.db2.gz HOGIKCJQJLHLNH-CQLXCSJHSA-N 2 0 223.364 0.859 20 0 BCADRP [NH3+]CC1CCC([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000663501500 411685683 /nfs/dbraw/zinc/68/56/83/411685683.db2.gz WROTYMUEECGMQV-UHFFFAOYSA-N 3 0 223.364 0.846 20 0 BCADRP CC(C)[C@H]([NH3+])CCN[C@@H]1C[NH2+]C[C@H](C)C1 ZINC000663502209 411685799 /nfs/dbraw/zinc/68/57/99/411685799.db2.gz FLXNYSWFMYLICF-GRYCIOLGSA-N 2 0 213.369 0.947 20 0 BCADRP C(C[C@@H]1CCOC1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663501880 411685990 /nfs/dbraw/zinc/68/59/90/411685990.db2.gz ZBLUCVQZSYLQPY-VOMCLLRMSA-N 2 0 210.321 0.755 20 0 BCADRP C(N[C@@H]1CCC[NH2+]CC1)C12CC(C1)C[NH2+]2 ZINC000663501505 411686373 /nfs/dbraw/zinc/68/63/73/411686373.db2.gz WWBVUWRSYKGPCC-MOENNCHZSA-N 2 0 209.337 0.470 20 0 BCADRP C[C@@H](NCC12CC(C1)C[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000663501299 411686425 /nfs/dbraw/zinc/68/64/25/411686425.db2.gz UYFCWMNPXDBBNT-IGJPJIBNSA-N 2 0 223.364 0.716 20 0 BCADRP C[C@@]1(CN2CC[C@@H](F)[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000663505516 411687873 /nfs/dbraw/zinc/68/78/73/411687873.db2.gz JOBGPIZMQGKJTM-GMTAPVOTSA-N 2 0 215.316 0.357 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](F)[C@H](N)C2)CC[NH2+]1 ZINC000663506114 411688218 /nfs/dbraw/zinc/68/82/18/411688218.db2.gz QAQXCQQVGGFYBU-DDHJBXDOSA-N 2 0 229.343 0.746 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC[C@]12C[C@H]1C[NH2+]C2 ZINC000663503577 411688435 /nfs/dbraw/zinc/68/84/35/411688435.db2.gz PTUUDMGUPUPFQM-TUAOUCFPSA-N 2 0 211.353 0.559 20 0 BCADRP CC[N@@H+]1CC[C@H](N[C@H](C)C[NH2+]C)[C@H](C)C1 ZINC000663512051 411692722 /nfs/dbraw/zinc/69/27/22/411692722.db2.gz DWCPPEGRLUPPKY-UTUOFQBUSA-N 2 0 213.369 0.914 20 0 BCADRP C[NH2+]C[C@H](C)NCc1nc2c(s1)C[NH2+]CC2 ZINC000663514669 411695445 /nfs/dbraw/zinc/69/54/45/411695445.db2.gz RYBUBWAWXJDDKZ-QMMMGPOBSA-N 2 0 240.376 0.486 20 0 BCADRP CCN(C)C[C@@H](O)C[NH2+][C@@H](CO)C1CCC1 ZINC000661151569 411720569 /nfs/dbraw/zinc/72/05/69/411720569.db2.gz DDEOTZJRSBVXGL-RYUDHWBXSA-N 2 0 230.352 0.050 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NCc1cnc(N)s1 ZINC000580714588 411890636 /nfs/dbraw/zinc/89/06/36/411890636.db2.gz BJYPQWMPJHMPLQ-MRVPVSSYSA-N 2 0 226.349 0.955 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NCc1ccc(N)nc1 ZINC000647547752 411890664 /nfs/dbraw/zinc/89/06/64/411890664.db2.gz BXFDTVPGQRHBTP-SNVBAGLBSA-N 2 0 220.320 0.894 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)Cc1cnc(N)s1 ZINC000629652772 411900532 /nfs/dbraw/zinc/90/05/32/411900532.db2.gz DXNBZKVSWUKHBT-UHFFFAOYSA-N 2 0 244.364 0.393 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(N)nc1 ZINC000629653595 411902043 /nfs/dbraw/zinc/90/20/43/411902043.db2.gz KKAREBUMUKEYBP-UHFFFAOYSA-N 2 0 238.335 0.332 20 0 BCADRP C[NH+](C)CCNc1nc(N)[nH+]c2c1CCCC2 ZINC000645094034 411908617 /nfs/dbraw/zinc/90/86/17/411908617.db2.gz AAAKOOYOJIOYDH-UHFFFAOYSA-N 2 0 235.335 0.333 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cnc(N)s2)C1 ZINC000381346550 411919303 /nfs/dbraw/zinc/91/93/03/411919303.db2.gz ZDTGUNNQWOUDDW-YUMQZZPRSA-N 2 0 226.349 0.894 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cnc(N)s1 ZINC000564971326 411920399 /nfs/dbraw/zinc/92/03/99/411920399.db2.gz XIQUIHMSVIFXOS-NKWVEPMBSA-N 2 0 214.338 0.941 20 0 BCADRP C[C@H]1CC[N@H+](Cc2ccnc(N)c2)C[C@H]1C[NH3+] ZINC000420407252 411929661 /nfs/dbraw/zinc/92/96/61/411929661.db2.gz OHYBCOGDFGEDGZ-CMPLNLGQSA-N 2 0 234.347 1.081 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccnc(N)c1 ZINC000566244397 411932012 /nfs/dbraw/zinc/93/20/12/411932012.db2.gz NCQKKSOPKHURBL-GXSJLCMTSA-N 2 0 220.320 0.833 20 0 BCADRP C[N@H+](CCOCC[NH3+])Cc1ccnc(N)c1 ZINC000629578097 411873880 /nfs/dbraw/zinc/87/38/80/411873880.db2.gz MDYXYXZKBXKYEG-UHFFFAOYSA-N 2 0 224.308 0.071 20 0 BCADRP CCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000661767803 411878726 /nfs/dbraw/zinc/87/87/26/411878726.db2.gz RINXHIPZLDOBFS-QJPTWQEYSA-N 2 0 230.352 0.144 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cnc(N)s1 ZINC000564971327 411883740 /nfs/dbraw/zinc/88/37/40/411883740.db2.gz XIQUIHMSVIFXOS-RNFRBKRXSA-N 2 0 214.338 0.941 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccnc(N)c2)C1 ZINC000567471939 411884306 /nfs/dbraw/zinc/88/43/06/411884306.db2.gz BGIMOSNHGBPREL-MWLCHTKSSA-N 2 0 220.320 0.833 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662139785 412001895 /nfs/dbraw/zinc/00/18/95/412001895.db2.gz BTNPENVXZWDTHX-AVGNSLFASA-N 2 0 244.379 0.249 20 0 BCADRP O[C@H]1CC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC000662153784 412008197 /nfs/dbraw/zinc/00/81/97/412008197.db2.gz CBZPJRRJKVGFMS-ZDUSSCGKSA-N 2 0 224.348 0.927 20 0 BCADRP Nc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cn1 ZINC000647546147 411956578 /nfs/dbraw/zinc/95/65/78/411956578.db2.gz AWMSEKVTTHBDTI-SNVBAGLBSA-N 2 0 220.320 0.753 20 0 BCADRP Nc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cn1 ZINC000647548091 411958471 /nfs/dbraw/zinc/95/84/71/411958471.db2.gz VBEPTOGIIBHLER-NSHDSACASA-N 2 0 232.331 0.896 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)C[NH2+]C(C)C ZINC000220047075 412029774 /nfs/dbraw/zinc/02/97/74/412029774.db2.gz OBFHUVHQSXTQSI-UHFFFAOYSA-N 2 0 229.368 0.833 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](COC)OC)C1 ZINC000662237355 412033676 /nfs/dbraw/zinc/03/36/76/412033676.db2.gz IRUBEDBJPYGXBO-VXGBXAGGSA-N 2 0 230.352 0.579 20 0 BCADRP COC[C@H](CN1CCCC[C@@H]1[C@H](C)[NH3+])OC ZINC000662235795 412035502 /nfs/dbraw/zinc/03/55/02/412035502.db2.gz SVVGTPZYEFBBGG-SDDRHHMPSA-N 2 0 230.352 0.850 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662243705 412039613 /nfs/dbraw/zinc/03/96/13/412039613.db2.gz OXZNUPZQHXXMOK-VXGBXAGGSA-N 2 0 239.363 0.321 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000662246418 412043843 /nfs/dbraw/zinc/04/38/43/412043843.db2.gz RTXGKQTZSMIMQP-TUAOUCFPSA-N 2 0 239.363 0.666 20 0 BCADRP COCC[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248948 412045907 /nfs/dbraw/zinc/04/59/07/412045907.db2.gz MFXSHFPHKPVIFI-SNVBAGLBSA-N 2 0 214.309 0.086 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662249705 412046358 /nfs/dbraw/zinc/04/63/58/412046358.db2.gz YHVVGQLVYFWPAE-NEPJUHHUSA-N 2 0 240.347 0.618 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1C[NH2+]CCO1 ZINC000662248211 412047126 /nfs/dbraw/zinc/04/71/26/412047126.db2.gz WECZRLIOGLBJKE-NWDGAFQWSA-N 2 0 229.368 0.280 20 0 BCADRP CC[N@H+](CCCO)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256288 412051513 /nfs/dbraw/zinc/05/15/13/412051513.db2.gz KIRRKGFGAPJUTR-NSHDSACASA-N 2 0 228.336 0.212 20 0 BCADRP C[N@H+](C[C@H]1CCOC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259242 412053036 /nfs/dbraw/zinc/05/30/36/412053036.db2.gz SRJQMGODKALNDH-NEPJUHHUSA-N 2 0 240.347 0.476 20 0 BCADRP C[N@H+](C[C@@H]1CCOC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259244 412053782 /nfs/dbraw/zinc/05/37/82/412053782.db2.gz SRJQMGODKALNDH-RYUDHWBXSA-N 2 0 240.347 0.476 20 0 BCADRP COC[C@H](C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)OC ZINC000662265836 412057362 /nfs/dbraw/zinc/05/73/62/412057362.db2.gz JDGOFYFVTZNIDP-ZDEQEGDKSA-N 2 0 242.363 0.707 20 0 BCADRP CC[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)CC[C@@H]1[NH3+] ZINC000662270117 412061197 /nfs/dbraw/zinc/06/11/97/412061197.db2.gz IJOGDHAFHOSHRO-WOPDTQHZSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)CC[C@@H]1[NH3+] ZINC000662270111 412061246 /nfs/dbraw/zinc/06/12/46/412061246.db2.gz IJOGDHAFHOSHRO-GRYCIOLGSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@H](C)[NH3+] ZINC000370767545 171100421 /nfs/dbraw/zinc/10/04/21/171100421.db2.gz VBWBZBCTJAYUKF-TUAOUCFPSA-N 2 0 239.363 0.809 20 0 BCADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[NH2+]C ZINC000249626302 171100558 /nfs/dbraw/zinc/10/05/58/171100558.db2.gz UCHSGKKDRQIREP-MNOVXSKESA-N 2 0 225.336 0.291 20 0 BCADRP CC[C@@H]1COCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000037482603 171106452 /nfs/dbraw/zinc/10/64/52/171106452.db2.gz CDQAOFTZYVEVBU-GFCCVEGCSA-N 2 0 227.352 0.002 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C[C@H]1C[NH2+]CCO1 ZINC000662273200 412065891 /nfs/dbraw/zinc/06/58/91/412065891.db2.gz MVYSXCMIHGZKLS-NWDGAFQWSA-N 2 0 227.352 0.178 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000353467056 171145841 /nfs/dbraw/zinc/14/58/41/171145841.db2.gz KOKZDDSFOOPORX-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+](C)CC ZINC000353513202 171145944 /nfs/dbraw/zinc/14/59/44/171145944.db2.gz KRIJDTBLTZJGFI-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000353131052 171146540 /nfs/dbraw/zinc/14/65/40/171146540.db2.gz PZIKRHCNCBMBQR-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000353138424 171146590 /nfs/dbraw/zinc/14/65/90/171146590.db2.gz CNWZQPSSORXRQG-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000353465762 171148025 /nfs/dbraw/zinc/14/80/25/171148025.db2.gz FUJABFKWDAFSEY-FIQHERPVSA-N 2 0 239.363 0.631 20 0 BCADRP CO[C@H](C[N@H+](C)C[C@@H](O)C[NH3+])C1CCCCC1 ZINC000662276904 412068756 /nfs/dbraw/zinc/06/87/56/412068756.db2.gz NDEVHCMDURRTPB-QWHCGFSZSA-N 2 0 244.379 0.833 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000353128834 171148821 /nfs/dbraw/zinc/14/88/21/171148821.db2.gz LOZASLIXDQMVSP-NTZNESFSSA-N 2 0 241.379 0.864 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]C[C@H]1C ZINC000353130997 171149067 /nfs/dbraw/zinc/14/90/67/171149067.db2.gz PWCHKFRTSBLEPW-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000353429839 171149416 /nfs/dbraw/zinc/14/94/16/171149416.db2.gz UVPGVDIBIMEALJ-UTUOFQBUSA-N 2 0 239.363 0.633 20 0 BCADRP C([C@H]1C[NH2+]CCO1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662277570 412069035 /nfs/dbraw/zinc/06/90/35/412069035.db2.gz QFSVZJXDXLPINB-CHWSQXEVSA-N 2 0 239.363 0.050 20 0 BCADRP C[C@@H](O)C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662285169 412076865 /nfs/dbraw/zinc/07/68/65/412076865.db2.gz YMWBPXUKUIJUJC-ZYHUDNBSSA-N 2 0 240.347 0.353 20 0 BCADRP CC[C@@]1(C(=O)NC[C@H]([NH3+])C2CC2)CCC[NH2+]1 ZINC000134621944 171195478 /nfs/dbraw/zinc/19/54/78/171195478.db2.gz PBEHPWLGHLTCON-JQWIXIFHSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@@]1(C(=O)NC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000334144511 171195652 /nfs/dbraw/zinc/19/56/52/171195652.db2.gz HNFPCRYSIRHQJN-LBPRGKRZSA-N 2 0 225.336 0.387 20 0 BCADRP CC[C@@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000184074708 171195958 /nfs/dbraw/zinc/19/59/58/171195958.db2.gz TXFKRDMUEDEQPI-AAEUAGOBSA-N 2 0 239.363 0.634 20 0 BCADRP CC[C@@]1(C(=O)N2CC[NH2+][C@@H](C)C2)CCC[NH2+]1 ZINC000134368452 171196385 /nfs/dbraw/zinc/19/63/85/171196385.db2.gz DPAUJIOXNMFHOU-JQWIXIFHSA-N 2 0 225.336 0.339 20 0 BCADRP CC[C@@]1(C(=O)N[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000134365965 171197984 /nfs/dbraw/zinc/19/79/84/171197984.db2.gz GZWHFIXFQSBMOU-JQWIXIFHSA-N 2 0 225.336 0.387 20 0 BCADRP OCC1([NH2+]CC[C@@H]2CCCCO2)CC[NH2+]CC1 ZINC000662284954 412077616 /nfs/dbraw/zinc/07/76/16/412077616.db2.gz SCKXHXZRFNBORD-LBPRGKRZSA-N 2 0 242.363 0.650 20 0 BCADRP CC[C@H](C(=O)N1CC[NH2+]C[C@H]1C)[NH+](CC)CC ZINC000359437361 171223884 /nfs/dbraw/zinc/22/38/84/171223884.db2.gz YGCFLUFPPKGFGR-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@H](C(=O)N1CCC[N@H+](CC)CC1)[NH+](C)C ZINC000363540127 171224268 /nfs/dbraw/zinc/22/42/68/171224268.db2.gz SQYMNNZTHAUUHS-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP CC[C@H](C(=O)NCC[NH+]1CCCCC1)[NH+](C)C ZINC000124809515 171227791 /nfs/dbraw/zinc/22/77/91/171227791.db2.gz BCNCHLANGPZLRT-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CC[C@H](C(=O)NCC[N@H+](C)CCOC)[NH+](C)C ZINC000125093970 171228533 /nfs/dbraw/zinc/22/85/33/171228533.db2.gz DMSOCBQREOQBHX-LLVKDONJSA-N 2 0 245.367 0.021 20 0 BCADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000662282402 412073316 /nfs/dbraw/zinc/07/33/16/412073316.db2.gz HEZBNYMWEDDTTK-XQHKEYJVSA-N 2 0 241.379 0.280 20 0 BCADRP [NH3+]CC1(O)CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000662282014 412073755 /nfs/dbraw/zinc/07/37/55/412073755.db2.gz ARNYFAYBCCMNMF-ZSBIGDGJSA-N 2 0 224.348 0.818 20 0 BCADRP COC[C@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])OC ZINC000662284508 412074392 /nfs/dbraw/zinc/07/43/92/412074392.db2.gz WCLYOODMOFMRTP-HBNTYKKESA-N 2 0 216.325 0.507 20 0 BCADRP OCC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662282903 412076067 /nfs/dbraw/zinc/07/60/67/412076067.db2.gz DFLKWGQMWMCIKP-LBPRGKRZSA-N 2 0 240.347 0.212 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000226396321 171306504 /nfs/dbraw/zinc/30/65/04/171306504.db2.gz WKQYEFOAZDTZFF-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000130657919 171306738 /nfs/dbraw/zinc/30/67/38/171306738.db2.gz GKQTXFNTEYJZOW-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H](C)NC(=O)CN(C)CCC[NH3+] ZINC000019834729 171324077 /nfs/dbraw/zinc/32/40/77/171324077.db2.gz ULMKPAKPJOSYDR-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662286920 412078412 /nfs/dbraw/zinc/07/84/12/412078412.db2.gz UANFPPHWAJGCSP-IJLUTSLNSA-N 2 0 240.347 0.353 20 0 BCADRP CC[C@H](C)NC(=O)[C@H](C)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000131514311 171334812 /nfs/dbraw/zinc/33/48/12/171334812.db2.gz GETTWJGLPJCIFQ-BJDJZHNGSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291920 412080981 /nfs/dbraw/zinc/08/09/81/412080981.db2.gz ARPBGKGEYICAMS-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP CNC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294547 412081656 /nfs/dbraw/zinc/08/16/56/412081656.db2.gz QRPNPGIUJCMVIC-LBPRGKRZSA-N 2 0 239.363 0.444 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000124306335 171370546 /nfs/dbraw/zinc/37/05/46/171370546.db2.gz WLTYLKIQFYCTJX-LPEHRKFASA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368643903 171371316 /nfs/dbraw/zinc/37/13/16/171371316.db2.gz BPQCYDRJPUNHJE-AATLWQCWSA-N 2 0 231.315 0.176 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000364775514 171371669 /nfs/dbraw/zinc/37/16/69/171371669.db2.gz HYPOGRBTDRMZEI-GARJFASQSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000309798644 171371746 /nfs/dbraw/zinc/37/17/46/171371746.db2.gz QTBBJVDEXQJTRT-IVZWLZJFSA-N 2 0 215.341 0.459 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000049575489 171371829 /nfs/dbraw/zinc/37/18/29/171371829.db2.gz KEQYWOFZUKXFKT-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662292934 412082471 /nfs/dbraw/zinc/08/24/71/412082471.db2.gz PREWPLISYKXCLL-NSHDSACASA-N 2 0 225.336 0.183 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000366498283 171393871 /nfs/dbraw/zinc/39/38/71/171393871.db2.gz ROHDMNIEJQPXAV-QCNOEVLYSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000366498284 171394256 /nfs/dbraw/zinc/39/42/56/171394256.db2.gz ROHDMNIEJQPXAV-USZNOCQGSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000337523735 171394303 /nfs/dbraw/zinc/39/43/03/171394303.db2.gz WXLJHZZXUSHCID-VLEAKVRGSA-N 2 0 227.352 0.556 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000037643464 171395234 /nfs/dbraw/zinc/39/52/34/171395234.db2.gz XNDBNJDIBYVZHK-SRVKXCTJSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](C)C[NH3+] ZINC000309004419 171395821 /nfs/dbraw/zinc/39/58/21/171395821.db2.gz PFIZNFTVLGIJMH-VGMNWLOBSA-N 2 0 201.314 0.071 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000309798643 171395858 /nfs/dbraw/zinc/39/58/58/171395858.db2.gz QTBBJVDEXQJTRT-GUBZILKMSA-N 2 0 215.341 0.459 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368210736 171396246 /nfs/dbraw/zinc/39/62/46/171396246.db2.gz DFXIQIIYFADJNW-DCAQKATOSA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000364775513 171396769 /nfs/dbraw/zinc/39/67/69/171396769.db2.gz HYPOGRBTDRMZEI-DCAQKATOSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726678 171396955 /nfs/dbraw/zinc/39/69/55/171396955.db2.gz DBBJGEUQUUHWJV-NHCYSSNCSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])c1 ZINC000662393118 412143159 /nfs/dbraw/zinc/14/31/59/412143159.db2.gz PAYKMAIFCDSJQI-RYUDHWBXSA-N 2 0 249.314 0.448 20 0 BCADRP OCC[C@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000662299927 412086237 /nfs/dbraw/zinc/08/62/37/412086237.db2.gz ZWFFPWQJCUARKF-CYBMUJFWSA-N 2 0 241.379 0.129 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000662299201 412086926 /nfs/dbraw/zinc/08/69/26/412086926.db2.gz VEHPBQTYEDKCFH-QWRGUYRKSA-N 2 0 214.309 0.215 20 0 BCADRP [NH3+]CCN1C[C@H]([NH3+])CCc2ccccc21 ZINC000662303229 412088109 /nfs/dbraw/zinc/08/81/09/412088109.db2.gz VBSRZIQGQNLBHQ-LLVKDONJSA-N 2 0 205.305 0.725 20 0 BCADRP CCCCNC(=O)CCN1CC2CC1(C[NH3+])C2 ZINC000662304419 412088328 /nfs/dbraw/zinc/08/83/28/412088328.db2.gz RSRQILJZHDNFNW-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]CC12CC(C1)CN2CCOCC1CC1 ZINC000662304357 412088955 /nfs/dbraw/zinc/08/89/55/412088955.db2.gz OWFKGCRAFJUDAH-UHFFFAOYSA-N 2 0 210.321 0.836 20 0 BCADRP C[C@H]1CCC[N@H+](CCOCC[NH3+])[C@@H]1CCO ZINC000662302929 412089314 /nfs/dbraw/zinc/08/93/14/412089314.db2.gz QMLUUTBUZRWVHJ-NWDGAFQWSA-N 2 0 230.352 0.445 20 0 BCADRP [NH3+]CCOCCN1c2ccccc2CC[C@H]1C[NH3+] ZINC000662306064 412090393 /nfs/dbraw/zinc/09/03/93/412090393.db2.gz WRVNBEBNRQUORM-ZDUSSCGKSA-N 2 0 249.358 0.742 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000662316219 412093185 /nfs/dbraw/zinc/09/31/85/412093185.db2.gz XJJMBGCGENTCDZ-OLZOCXBDSA-N 2 0 242.363 0.459 20 0 BCADRP C[C@]12COC[C@H]1C[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000662312206 412094219 /nfs/dbraw/zinc/09/42/19/412094219.db2.gz XMPJXTAEXQJKFU-XQQFMLRXSA-N 2 0 224.348 0.954 20 0 BCADRP C[C@]12COC[C@@H]1C[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000662311481 412094602 /nfs/dbraw/zinc/09/46/02/412094602.db2.gz SSNQIYHEVOJCFI-SRVKXCTJSA-N 2 0 210.321 0.564 20 0 BCADRP C[C@@H]1CCN(C[C@H]2C[NH2+]CCO2)[C@H](C[NH3+])C1 ZINC000662314951 412095476 /nfs/dbraw/zinc/09/54/76/412095476.db2.gz IOMACMYHEAKEKZ-GRYCIOLGSA-N 2 0 227.352 0.034 20 0 BCADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662314701 412095776 /nfs/dbraw/zinc/09/57/76/412095776.db2.gz AXTOXIAIBVVBOU-SRVKXCTJSA-N 2 0 210.321 0.564 20 0 BCADRP C[C@@H]1CCN(C[C@@H]2C[NH2+]CCO2)[C@H](C[NH3+])C1 ZINC000662314953 412095857 /nfs/dbraw/zinc/09/58/57/412095857.db2.gz IOMACMYHEAKEKZ-WOPDTQHZSA-N 2 0 227.352 0.034 20 0 BCADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662314702 412096039 /nfs/dbraw/zinc/09/60/39/412096039.db2.gz AXTOXIAIBVVBOU-TUAOUCFPSA-N 2 0 210.321 0.564 20 0 BCADRP CCNC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662318116 412097773 /nfs/dbraw/zinc/09/77/73/412097773.db2.gz WHFFJAZGSAGWSG-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C(C[N@@H+]1CC[C@H]2COC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000662317288 412098652 /nfs/dbraw/zinc/09/86/52/412098652.db2.gz OGCPUSWFOQVCHP-FRRDWIJNSA-N 2 0 224.348 0.954 20 0 BCADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCCO)CCO1 ZINC000662318525 412098718 /nfs/dbraw/zinc/09/87/18/412098718.db2.gz AYLOEGDMQQKNGK-GFCCVEGCSA-N 2 0 230.352 0.411 20 0 BCADRP [NH3+]CCC[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662318200 412099102 /nfs/dbraw/zinc/09/91/02/412099102.db2.gz XLXOFDIUQBBOSX-LLVKDONJSA-N 2 0 225.336 0.280 20 0 BCADRP C[NH+](C)CCC[C@H]1C[N@H+](CC(C)(C)O)CCO1 ZINC000662322988 412099653 /nfs/dbraw/zinc/09/96/53/412099653.db2.gz NZXXQOQRMFIOMV-LBPRGKRZSA-N 2 0 244.379 0.800 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC1([NH3+])CCCCC1 ZINC000662392974 412143295 /nfs/dbraw/zinc/14/32/95/412143295.db2.gz KCFVVJCLKNIFNW-UHFFFAOYSA-N 2 0 227.352 0.762 20 0 BCADRP CN(C[C@H]1CC[NH2+]C1)[C@H](C[NH3+])C(F)(F)F ZINC000662328885 412104477 /nfs/dbraw/zinc/10/44/77/412104477.db2.gz WFHBKXSRJDQUKL-JGVFFNPUSA-N 2 0 225.258 0.417 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000662393212 412142831 /nfs/dbraw/zinc/14/28/31/412142831.db2.gz DCERGZXRUNUSKI-YPMHNXCESA-N 2 0 245.326 0.781 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCNc1cnccn1 ZINC000532551710 412132428 /nfs/dbraw/zinc/13/24/28/412132428.db2.gz CZLOMLWKXZTFTF-MNOVXSKESA-N 2 0 235.335 0.428 20 0 BCADRP COC[C@H](CC[NH2+][C@@H]1CCC[C@H]1C[NH3+])OC ZINC000665235488 412175080 /nfs/dbraw/zinc/17/50/80/412175080.db2.gz WRGBCGHJGZMBEI-SDDRHHMPSA-N 2 0 230.352 0.755 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H](CC)[NH2+]C ZINC000662458163 412182026 /nfs/dbraw/zinc/18/20/26/412182026.db2.gz XUIUVFZRNRUXIH-LLVKDONJSA-N 2 0 229.368 0.833 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662468411 412184291 /nfs/dbraw/zinc/18/42/91/412184291.db2.gz UWYUMRAEGUMLGT-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP C[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C2)[C@H]2CCC[C@@H]21 ZINC000665241611 412185381 /nfs/dbraw/zinc/18/53/81/412185381.db2.gz STSMDFUDXQTYRF-RNJOBUHISA-N 2 0 223.364 0.811 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000662474228 412188136 /nfs/dbraw/zinc/18/81/36/412188136.db2.gz VUPQQLQWZMNQFA-DCAQKATOSA-N 2 0 227.352 0.393 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](C)CC[NH3+] ZINC000662553291 412214859 /nfs/dbraw/zinc/21/48/59/412214859.db2.gz WRRXDLJXEBHDRN-MNOVXSKESA-N 2 0 229.368 0.851 20 0 BCADRP CO[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665245395 412189932 /nfs/dbraw/zinc/18/99/32/412189932.db2.gz HKHBKFNIGOXOLO-YVECIDJPSA-N 2 0 242.363 0.768 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH2+]C(C)C)C1 ZINC000662483474 412191188 /nfs/dbraw/zinc/19/11/88/412191188.db2.gz VLWVWEYYEGSOSX-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H](NCC1([NH3+])CCCC1)[C@@H]1CCC[NH2+]1 ZINC000665247102 412192669 /nfs/dbraw/zinc/19/26/69/412192669.db2.gz VRBYCMFGQFKDEB-MNOVXSKESA-N 2 0 211.353 0.988 20 0 BCADRP C[C@H](NCC1([NH3+])CCCC1)[C@@H]1CCC[NH2+]1 ZINC000665247103 412193668 /nfs/dbraw/zinc/19/36/68/412193668.db2.gz VRBYCMFGQFKDEB-QWRGUYRKSA-N 2 0 211.353 0.988 20 0 BCADRP CC[C@H]1CN(C(=O)[C@H](C)[NH2+]C)CC[C@H]1[NH3+] ZINC000662556547 412215734 /nfs/dbraw/zinc/21/57/34/412215734.db2.gz AIBXZHDFDIFGKO-LPEHRKFASA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCCC[NH+](C)C ZINC000662523332 412203955 /nfs/dbraw/zinc/20/39/55/412203955.db2.gz LUJZIDYDZCWLAZ-VIFPVBQESA-N 2 0 201.314 0.052 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000662521515 412204324 /nfs/dbraw/zinc/20/43/24/412204324.db2.gz QCHAQGFEJXSNNN-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000662525268 412204332 /nfs/dbraw/zinc/20/43/32/412204332.db2.gz GEHWKMWYUWVOIC-CMPLNLGQSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000662527807 412205337 /nfs/dbraw/zinc/20/53/37/412205337.db2.gz ZRSHLTKFBPWTCO-BDAKNGLRSA-N 2 0 201.314 0.051 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H](C)[NH+](C)C ZINC000662527808 412205521 /nfs/dbraw/zinc/20/55/21/412205521.db2.gz ZRSHLTKFBPWTCO-DTWKUNHWSA-N 2 0 201.314 0.051 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000662526893 412205829 /nfs/dbraw/zinc/20/58/29/412205829.db2.gz LYBLHPVABQFBSM-MNOVXSKESA-N 2 0 227.352 0.441 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000662539919 412208479 /nfs/dbraw/zinc/20/84/79/412208479.db2.gz OAMDPZQLNAEEHS-SCVCMEIPSA-N 2 0 239.363 0.726 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000662555685 412210288 /nfs/dbraw/zinc/21/02/88/412210288.db2.gz ZJSUUGYALYHKSL-ZJUUUORDSA-N 2 0 213.325 0.243 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000662397468 412145063 /nfs/dbraw/zinc/14/50/63/412145063.db2.gz FAOUMXDWLWXICG-UTLUCORTSA-N 2 0 213.325 0.323 20 0 BCADRP [NH3+]CCCNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662394464 412145081 /nfs/dbraw/zinc/14/50/81/412145081.db2.gz WUFBKVRBPDMKCE-UHFFFAOYSA-N 2 0 239.344 0.472 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)c1cccc2c1C[NH2+]C2 ZINC000662395855 412146019 /nfs/dbraw/zinc/14/60/19/412146019.db2.gz QIEKHOQEGJOHGB-LLVKDONJSA-N 2 0 245.326 0.772 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000662398243 412147096 /nfs/dbraw/zinc/14/70/96/412147096.db2.gz DKMLJJVHOFEEAR-XYPYZODXSA-N 2 0 239.363 0.892 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000662551274 412213438 /nfs/dbraw/zinc/21/34/38/412213438.db2.gz BHTZICAPCWGQJZ-USZNOCQGSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CC1([NH3+])CC1 ZINC000662397772 412147378 /nfs/dbraw/zinc/14/73/78/412147378.db2.gz KHJFOIKRUNUEJK-NXEZZACHSA-N 2 0 225.336 0.596 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000662398254 412147476 /nfs/dbraw/zinc/14/74/76/412147476.db2.gz SCXKRLJPQVMWFE-LBPRGKRZSA-N 2 0 239.363 0.727 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C1)c1cccc2c1C[NH2+]C2 ZINC000662401203 412148430 /nfs/dbraw/zinc/14/84/30/412148430.db2.gz PPCRJEJIIWOLAR-JTQLQIEISA-N 2 0 231.299 0.382 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000662403068 412150128 /nfs/dbraw/zinc/15/01/28/412150128.db2.gz SZPKKNYIZGPQCX-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H](NC(=O)CC1([NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC000662403418 412150249 /nfs/dbraw/zinc/15/02/49/412150249.db2.gz LWSGOFNACJSVNU-UWVGGRQHSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H](NC(=O)CC1([NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC000662403416 412150506 /nfs/dbraw/zinc/15/05/06/412150506.db2.gz LWSGOFNACJSVNU-NXEZZACHSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](NC(=O)CC1([NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC000662403419 412150842 /nfs/dbraw/zinc/15/08/42/412150842.db2.gz LWSGOFNACJSVNU-VHSXEESVSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]C1(CC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000662403005 412151126 /nfs/dbraw/zinc/15/11/26/412151126.db2.gz RJELRCDSCSQRLV-SECBINFHSA-N 2 0 211.309 0.126 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662408484 412153146 /nfs/dbraw/zinc/15/31/46/412153146.db2.gz VXHUZNXXUIBKEK-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP C[NH2+]CCNC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662408372 412153297 /nfs/dbraw/zinc/15/32/97/412153297.db2.gz QFEJUVCZQGLZSD-JTQLQIEISA-N 2 0 215.341 0.333 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662408818 412154813 /nfs/dbraw/zinc/15/48/13/412154813.db2.gz AYGSEMDBCVPXND-SECBINFHSA-N 2 0 213.325 0.100 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000662412483 412155555 /nfs/dbraw/zinc/15/55/55/412155555.db2.gz GXDXYJSRQVCECI-IJLUTSLNSA-N 2 0 233.315 0.540 20 0 BCADRP C[NH2+]C1CCN(C(=O)C[NH2+]C(C)C)CC1 ZINC000662415592 412156444 /nfs/dbraw/zinc/15/64/44/412156444.db2.gz HWIUCTRJGPMEDA-UHFFFAOYSA-N 2 0 213.325 0.195 20 0 BCADRP CCCN(C(=O)CC1([NH3+])CC1)[C@H]1CC[NH2+]C1 ZINC000662413147 412156595 /nfs/dbraw/zinc/15/65/95/412156595.db2.gz LQOSEGHIKVYYAM-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000662414220 412156646 /nfs/dbraw/zinc/15/66/46/412156646.db2.gz WRTFZVFPBNBYGI-RYUDHWBXSA-N 2 0 235.331 0.801 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)C[NH2+]C(C)C)C1 ZINC000662413357 412157372 /nfs/dbraw/zinc/15/73/72/412157372.db2.gz FFUQZOTWXXFHGP-SNVBAGLBSA-N 2 0 213.325 0.052 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000662414803 412157458 /nfs/dbraw/zinc/15/74/58/412157458.db2.gz DUQRGBVLIQKPHT-QWRGUYRKSA-N 2 0 229.368 0.831 20 0 BCADRP C[C@@H]1CN(C(=O)CC2([NH3+])CC2)C[C@@H](C)[NH2+]1 ZINC000662415599 412157585 /nfs/dbraw/zinc/15/75/85/412157585.db2.gz IAIPPIQVRKGSNP-RKDXNWHRSA-N 2 0 211.309 0.077 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000662417419 412158509 /nfs/dbraw/zinc/15/85/09/412158509.db2.gz HFPWYEITQWEZJI-QWRGUYRKSA-N 2 0 229.368 0.803 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC(CC)(CC)C[NH3+] ZINC000662416300 412159084 /nfs/dbraw/zinc/15/90/84/412159084.db2.gz AJTUJTYFFSFAKP-VIFPVBQESA-N 2 0 215.341 0.618 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662426024 412159694 /nfs/dbraw/zinc/15/96/94/412159694.db2.gz LFSHNUHUNZDQMG-KYZUINATSA-N 2 0 213.325 0.357 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000662418844 412160476 /nfs/dbraw/zinc/16/04/76/412160476.db2.gz CFIWCRUVAZDXSW-ZJUUUORDSA-N 2 0 213.325 0.180 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CC1([NH3+])CC1 ZINC000662421875 412161025 /nfs/dbraw/zinc/16/10/25/412161025.db2.gz QUJPSGQZLBYFLV-NXEZZACHSA-N 2 0 225.336 0.502 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662420547 412161243 /nfs/dbraw/zinc/16/12/43/412161243.db2.gz ATVKWDJFUSTTTO-NXEZZACHSA-N 2 0 225.336 0.454 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000662420283 412161620 /nfs/dbraw/zinc/16/16/20/412161620.db2.gz SEXBVDATNWFZEW-LPEHRKFASA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H]1C[NH3+] ZINC000662422357 412163070 /nfs/dbraw/zinc/16/30/70/412163070.db2.gz ICYDJIOGGXLLGD-XWLWVQCSSA-N 2 0 225.336 0.310 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000662424061 412163918 /nfs/dbraw/zinc/16/39/18/412163918.db2.gz SLNFGXDSHLVGFM-JQWIXIFHSA-N 2 0 229.368 0.864 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C[NH2+]C(C)C ZINC000662426018 412165024 /nfs/dbraw/zinc/16/50/24/412165024.db2.gz RBACDAKKJBZMAW-UHFFFAOYSA-N 2 0 215.341 0.618 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)CC1([NH3+])CC1 ZINC000662426311 412165327 /nfs/dbraw/zinc/16/53/27/412165327.db2.gz PJVCFOOVMOGUIF-UHFFFAOYSA-N 2 0 213.325 0.502 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000662426989 412165434 /nfs/dbraw/zinc/16/54/34/412165434.db2.gz JWZQRMOSLYXQHB-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)CC1([NH3+])CC1 ZINC000662428015 412166778 /nfs/dbraw/zinc/16/67/78/412166778.db2.gz WIKUWKACOKSUAK-VIFPVBQESA-N 2 0 211.309 0.078 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)C[NH2+]C(C)C ZINC000662427522 412166938 /nfs/dbraw/zinc/16/69/38/412166938.db2.gz QDPJCHNIECSIIT-SNVBAGLBSA-N 2 0 213.325 0.195 20 0 BCADRP COC[C@H](CC[NH2+][C@@H]1CCC[C@H]1[NH3+])OC ZINC000665234340 412174667 /nfs/dbraw/zinc/17/46/67/412174667.db2.gz BJIAHULTRKEDEZ-HBNTYKKESA-N 2 0 216.325 0.507 20 0 BCADRP COC[C@@H](CC[NH2+][C@H](C)C1C[NH2+]C1)OC ZINC000665234458 412174888 /nfs/dbraw/zinc/17/48/88/412174888.db2.gz DCFOJQUUZKBGQH-MWLCHTKSSA-N 2 0 216.325 0.235 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662645846 412255274 /nfs/dbraw/zinc/25/52/74/412255274.db2.gz FMZOTHONYGFGOA-VHSXEESVSA-N 2 0 225.336 0.502 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CCCC1 ZINC000662647648 412255412 /nfs/dbraw/zinc/25/54/12/412255412.db2.gz BOZMXTULBOKFOC-JQWIXIFHSA-N 2 0 237.347 0.374 20 0 BCADRP [NH3+]C1(CNC(=O)CC2CC[NH2+]CC2)CCCC1 ZINC000662647536 412255609 /nfs/dbraw/zinc/25/56/09/412255609.db2.gz AMEKCBMNXQPCON-UHFFFAOYSA-N 2 0 239.363 0.764 20 0 BCADRP [NH3+][C@H](CC(F)F)C(=O)NCC1([NH3+])CCCC1 ZINC000662650242 412255977 /nfs/dbraw/zinc/25/59/77/412255977.db2.gz XOZYZIAUKCDWPI-SSDOTTSWSA-N 2 0 235.278 0.357 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662648650 412256528 /nfs/dbraw/zinc/25/65/28/412256528.db2.gz JDDULGCJXNTBHT-GHMZBOCLSA-N 2 0 239.363 0.762 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662650289 412257675 /nfs/dbraw/zinc/25/76/75/412257675.db2.gz YPORSZXEHZLTIF-VIFPVBQESA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCNc1cnccn1 ZINC000576695265 412259490 /nfs/dbraw/zinc/25/94/90/412259490.db2.gz LWCBHDNHPRGHQL-NWDGAFQWSA-N 2 0 249.362 0.866 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662672876 412266046 /nfs/dbraw/zinc/26/60/46/412266046.db2.gz GIVNPVCCFRPLSB-XYPYZODXSA-N 2 0 239.363 0.666 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662673242 412267689 /nfs/dbraw/zinc/26/76/89/412267689.db2.gz ITHLJSNPTKTMHN-XYPYZODXSA-N 2 0 225.336 0.276 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662680667 412268868 /nfs/dbraw/zinc/26/88/68/412268868.db2.gz YCYQJHWXLXLUDY-QWKFWESOSA-N 2 0 237.347 0.420 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000662682945 412269766 /nfs/dbraw/zinc/26/97/66/412269766.db2.gz KVGHCUKFFJMTRF-HJGSJEJJSA-N 2 0 249.358 0.326 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)CC[NH2+]C1CC1 ZINC000662684422 412270648 /nfs/dbraw/zinc/27/06/48/412270648.db2.gz WVDXIKOJWYIEGF-UHFFFAOYSA-N 2 0 223.320 0.078 20 0 BCADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CC1([NH3+])CC1 ZINC000662685838 412270674 /nfs/dbraw/zinc/27/06/74/412270674.db2.gz YUZSQCNMMJVMOX-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662684647 412270677 /nfs/dbraw/zinc/27/06/77/412270677.db2.gz YMMWNXOLUVTFNH-PVLDGBANSA-N 2 0 249.358 0.467 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCCCC[NH+](C)C ZINC000662684373 412270701 /nfs/dbraw/zinc/27/07/01/412270701.db2.gz XPBNHMBRRPKVPP-SNVBAGLBSA-N 2 0 215.341 0.442 20 0 BCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CC1([NH3+])CC1 ZINC000662685837 412271006 /nfs/dbraw/zinc/27/10/06/412271006.db2.gz YUZSQCNMMJVMOX-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000662686514 412271108 /nfs/dbraw/zinc/27/11/08/412271108.db2.gz GOUAWTHSDBZGHT-DDHJBXDOSA-N 2 0 237.347 0.467 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000662685636 412271178 /nfs/dbraw/zinc/27/11/78/412271178.db2.gz WOMLBBABENRCAI-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000662699136 412276065 /nfs/dbraw/zinc/27/60/65/412276065.db2.gz XIIGZPKTXXWPPT-MXWKQRLJSA-N 2 0 227.352 0.700 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662714508 412281382 /nfs/dbraw/zinc/28/13/82/412281382.db2.gz IWSUGQBQVVRXMS-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@@H](C(=O)NCC12CC(C1)C[NH2+]2)[C@H](C)[NH3+] ZINC000662718881 412282294 /nfs/dbraw/zinc/28/22/94/412282294.db2.gz RRUOGGBTYHMRRI-MSLYCWSTSA-N 2 0 239.363 0.474 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000662718460 412282688 /nfs/dbraw/zinc/28/26/88/412282688.db2.gz JJVWEDGSYAGCSC-UHFFFAOYSA-N 2 0 245.326 0.627 20 0 BCADRP [NH3+]C1(CC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000662719793 412283108 /nfs/dbraw/zinc/28/31/08/412283108.db2.gz KUGAUBRAMPJLTF-LLVKDONJSA-N 2 0 237.347 0.468 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000662724699 412284215 /nfs/dbraw/zinc/28/42/15/412284215.db2.gz PEVGFCNASJSZOD-NXEZZACHSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C1([NH+](C)C)CC1 ZINC000665357291 412285456 /nfs/dbraw/zinc/28/54/56/412285456.db2.gz JDDYDZGDTHJMJJ-UHFFFAOYSA-N 2 0 227.352 0.537 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662731562 412286891 /nfs/dbraw/zinc/28/68/91/412286891.db2.gz GXMFKKPDNZALJL-ZJUUUORDSA-N 2 0 215.341 0.474 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000662556208 412216430 /nfs/dbraw/zinc/21/64/30/412216430.db2.gz NBLUCYSDQMBTGB-AEJSXWLSSA-N 2 0 213.325 0.371 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000662556883 412216585 /nfs/dbraw/zinc/21/65/85/412216585.db2.gz WUCYTEUUAVGHDF-UWVGGRQHSA-N 2 0 213.325 0.371 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000662555200 412216657 /nfs/dbraw/zinc/21/66/57/412216657.db2.gz ZOOCQYWLLGDIFQ-UKKRHICBSA-N 2 0 225.336 0.180 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H](CC)[NH2+]C ZINC000662559056 412217368 /nfs/dbraw/zinc/21/73/68/412217368.db2.gz PVGMVLGBIXSGIH-RKDXNWHRSA-N 2 0 201.314 0.099 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000662572092 412218921 /nfs/dbraw/zinc/21/89/21/412218921.db2.gz MDRBZKPULDAOCE-BQBZGAKWSA-N 2 0 241.257 0.380 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000662564518 412220514 /nfs/dbraw/zinc/22/05/14/412220514.db2.gz RNKDDVBWAPVDPX-SRVKXCTJSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@H]1C[C@@H](NCC23CC(C2)C[NH2+]3)C[N@@H+]1C1CC1 ZINC000665277518 412220874 /nfs/dbraw/zinc/22/08/74/412220874.db2.gz DFDRRKNGBCCXRT-WDBLDGLGSA-N 2 0 235.375 0.953 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000662568251 412222153 /nfs/dbraw/zinc/22/21/53/412222153.db2.gz PTNSZRKDUPRDHX-VWYCJHECSA-N 2 0 229.368 0.849 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665279843 412223157 /nfs/dbraw/zinc/22/31/57/412223157.db2.gz NMEJCWXQNBAGQB-IGJPJIBNSA-N 2 0 223.364 0.716 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000662569072 412223946 /nfs/dbraw/zinc/22/39/46/412223946.db2.gz WLZNJUFVODUKLF-DTWKUNHWSA-N 2 0 201.314 0.228 20 0 BCADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000665283492 412229533 /nfs/dbraw/zinc/22/95/33/412229533.db2.gz OTHVHKQPKDQQPG-RWMBFGLXSA-N 2 0 243.395 0.716 20 0 BCADRP CC(C)[C@H]([NH3+])CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000665283413 412229697 /nfs/dbraw/zinc/22/96/97/412229697.db2.gz NHGNUIFFWDIRIG-IJLUTSLNSA-N 2 0 213.369 0.947 20 0 BCADRP [NH3+]CCC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662592498 412233553 /nfs/dbraw/zinc/23/35/53/412233553.db2.gz YKVUCDFLFBXVTM-GFCCVEGCSA-N 2 0 239.363 0.573 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000662606044 412235500 /nfs/dbraw/zinc/23/55/00/412235500.db2.gz WTCJHZPFOSMPMJ-JTQLQIEISA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662622307 412244322 /nfs/dbraw/zinc/24/43/22/412244322.db2.gz QKPUPFQIKBHSKI-NXEZZACHSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621721 412245120 /nfs/dbraw/zinc/24/51/20/412245120.db2.gz JIEYFDSVCKGGBE-ZJUUUORDSA-N 2 0 227.352 0.713 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC000662632324 412246001 /nfs/dbraw/zinc/24/60/01/412246001.db2.gz BZSZXKKHUYOPFZ-CMPLNLGQSA-N 2 0 229.368 0.960 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662632326 412246087 /nfs/dbraw/zinc/24/60/87/412246087.db2.gz BZSZXKKHUYOPFZ-PWSUYJOCSA-N 2 0 229.368 0.960 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCOCCF ZINC000665299603 412247603 /nfs/dbraw/zinc/24/76/03/412247603.db2.gz PZJKJMAWXNLGGT-WDEREUQCSA-N 2 0 218.316 0.950 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOCCF ZINC000665299354 412248296 /nfs/dbraw/zinc/24/82/96/412248296.db2.gz LJHXFUQWVORAIF-UWVGGRQHSA-N 2 0 204.289 0.690 20 0 BCADRP C[NH2+]C[C@H](C)NC1CC[NH+](C2CC2)CC1 ZINC000665299229 412248463 /nfs/dbraw/zinc/24/84/63/412248463.db2.gz IZIDUYPQENFTJR-JTQLQIEISA-N 2 0 211.353 0.811 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCOCCF ZINC000665299353 412248566 /nfs/dbraw/zinc/24/85/66/412248566.db2.gz LJHXFUQWVORAIF-NXEZZACHSA-N 2 0 204.289 0.690 20 0 BCADRP C[C@H](CCNC(=O)C(C)(C)[NH3+])[NH+](C)C ZINC000662632358 412250002 /nfs/dbraw/zinc/25/00/02/412250002.db2.gz CNZOQROLSPMMBU-MRVPVSSYSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@H](CCNC(=O)C1([NH3+])CCC1)[NH+](C)C ZINC000662634326 412251069 /nfs/dbraw/zinc/25/10/69/412251069.db2.gz RDWZSACKFJEHKF-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H](CCNC(=O)C[NH2+]CC1CC1)[NH+](C)C ZINC000662633490 412251211 /nfs/dbraw/zinc/25/12/11/412251211.db2.gz LEZIYRRUDZSPAE-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000662632921 412251233 /nfs/dbraw/zinc/25/12/33/412251233.db2.gz HTMDFXCQXADLQT-SNVBAGLBSA-N 2 0 215.341 0.441 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662634494 412251236 /nfs/dbraw/zinc/25/12/36/412251236.db2.gz RZUOQMYRZIDDSL-VHSXEESVSA-N 2 0 215.341 0.298 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662635041 412251427 /nfs/dbraw/zinc/25/14/27/412251427.db2.gz UHUMRORSNKACKX-UTUOFQBUSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662633260 412251671 /nfs/dbraw/zinc/25/16/71/412251671.db2.gz JRWQTLRJPKULOE-ZJUUUORDSA-N 2 0 215.341 0.441 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662633255 412251798 /nfs/dbraw/zinc/25/17/98/412251798.db2.gz JRWQTLRJPKULOE-NXEZZACHSA-N 2 0 215.341 0.441 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[NH2+]C1)[C@@H]([NH3+])c1ccccc1 ZINC000662639470 412253021 /nfs/dbraw/zinc/25/30/21/412253021.db2.gz BLYYWDKBJQXLNE-KGYLQXTDSA-N 2 0 247.342 0.801 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000662640694 412253695 /nfs/dbraw/zinc/25/36/95/412253695.db2.gz ZMWPRGSHIKGNAY-HOSYDEDBSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000662818123 412305875 /nfs/dbraw/zinc/30/58/75/412305875.db2.gz PIDAWODBENXVRB-ZNSHCXBVSA-N 2 0 227.352 0.426 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000662815283 412308744 /nfs/dbraw/zinc/30/87/44/412308744.db2.gz RDCLSVXRVAXSOG-IUCAKERBSA-N 2 0 215.341 0.474 20 0 BCADRP [NH3+][C@H]1Cc2ccccc2N(C(=O)CC2([NH3+])CC2)C1 ZINC000662817301 412309449 /nfs/dbraw/zinc/30/94/49/412309449.db2.gz VHHGHBRWNHNCFE-NSHDSACASA-N 2 0 245.326 0.784 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000662818412 412309516 /nfs/dbraw/zinc/30/95/16/412309516.db2.gz XIAATDXKZTUOKO-RHYQMDGZSA-N 2 0 241.379 0.816 20 0 BCADRP [NH3+]C1(CC(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000662823525 412311974 /nfs/dbraw/zinc/31/19/74/412311974.db2.gz STYYDBUDWHWRPX-SNVBAGLBSA-N 2 0 237.347 0.659 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662822747 412312013 /nfs/dbraw/zinc/31/20/13/412312013.db2.gz QLMPZGDICSPUCQ-KYXWUPHJSA-N 2 0 213.325 0.356 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000662823474 412312103 /nfs/dbraw/zinc/31/21/03/412312103.db2.gz PZQCJWHPUCXUFW-LBPRGKRZSA-N 2 0 235.331 0.760 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662835152 412315421 /nfs/dbraw/zinc/31/54/21/412315421.db2.gz ZHGUPCOHGZLPCE-XKNYDFJKSA-N 2 0 211.309 0.062 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662837782 412316327 /nfs/dbraw/zinc/31/63/27/412316327.db2.gz KZICEJBNLOMQAC-OUAUKWLOSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662835667 412316988 /nfs/dbraw/zinc/31/69/88/412316988.db2.gz RJFCXXIHBMZABX-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C1([NH2+]C2CC2)CCC1 ZINC000662845008 412319796 /nfs/dbraw/zinc/31/97/96/412319796.db2.gz JLDHMQNGGGPKGE-UHFFFAOYSA-N 2 0 239.363 0.857 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662845330 412320235 /nfs/dbraw/zinc/32/02/35/412320235.db2.gz OCZNYSHOXJBTOZ-VIFPVBQESA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](CCNC(=O)[C@]1(C)CCC[NH2+]1)[NH+](C)C ZINC000662860971 412327797 /nfs/dbraw/zinc/32/77/97/412327797.db2.gz WIBFDPCLMLTXKG-JQWIXIFHSA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@@]1(C(=O)NCC2([NH3+])CCCC2)CCC[NH2+]1 ZINC000662862550 412328082 /nfs/dbraw/zinc/32/80/82/412328082.db2.gz BNKUAZPVWJVSGD-ZDUSSCGKSA-N 2 0 239.363 0.906 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)NCC2([NH3+])CCCC2)C1 ZINC000662863288 412329268 /nfs/dbraw/zinc/32/92/68/412329268.db2.gz MTMFFZPJHZEENB-DTORHVGOSA-N 2 0 211.309 0.111 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000662864816 412329998 /nfs/dbraw/zinc/32/99/98/412329998.db2.gz HZWVOGBTGGTKDT-SECBINFHSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@]1(C(=O)N2CC3CC2(C[NH3+])C3)CCC[NH2+]1 ZINC000662876231 412332927 /nfs/dbraw/zinc/33/29/27/412332927.db2.gz RVPGSEWVIPJDOP-CKBZRRDASA-N 2 0 223.320 0.078 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662876550 412333597 /nfs/dbraw/zinc/33/35/97/412333597.db2.gz ZWZASRFTZYNIQN-URAGZPLESA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C[NH3+] ZINC000662886999 412336494 /nfs/dbraw/zinc/33/64/94/412336494.db2.gz RBNOLNCFEHKDAN-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000662925889 412347490 /nfs/dbraw/zinc/34/74/90/412347490.db2.gz DPLPCQTXZFKICM-TUAOUCFPSA-N 2 0 241.379 0.864 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C1(C[NH3+])CCCC1 ZINC000662952328 412351917 /nfs/dbraw/zinc/35/19/17/412351917.db2.gz CRIZBVIODURPNU-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP CC[C@]1(C(=O)N2CCC[C@H]([NH2+]C)C2)CCC[NH2+]1 ZINC000134367186 171709978 /nfs/dbraw/zinc/70/99/78/171709978.db2.gz VGVYODOLDSUYJA-WCQYABFASA-N 2 0 239.363 0.729 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]C1 ZINC000377082963 171711052 /nfs/dbraw/zinc/71/10/52/171711052.db2.gz MEXDUDQASQSXAG-LOWVWBTDSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@]1(C(=O)NCCC[NH2+]C)CCC[NH2+]1 ZINC000134366087 171711145 /nfs/dbraw/zinc/71/11/45/171711145.db2.gz RTPIVGSBLHKHBF-LLVKDONJSA-N 2 0 213.325 0.244 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)C[NH2+]C ZINC000662954325 412353392 /nfs/dbraw/zinc/35/33/92/412353392.db2.gz UPMFZMJLTLRDBH-CIUDSAMLSA-N 2 0 201.314 0.084 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)c1ccc(C[NH3+])o1 ZINC000662953168 412353560 /nfs/dbraw/zinc/35/35/60/412353560.db2.gz KREGBZNPBJRKJT-ZETCQYMHSA-N 2 0 211.265 0.076 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)CCC(C)(C)[NH3+] ZINC000662954582 412353752 /nfs/dbraw/zinc/35/37/52/412353752.db2.gz WZJSBXVDTNWYNZ-MRVPVSSYSA-N 2 0 201.314 0.228 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000662953750 412353832 /nfs/dbraw/zinc/35/38/32/412353832.db2.gz PEWRMCSRZBIPMD-SRVKXCTJSA-N 2 0 241.379 0.736 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000662964435 412356973 /nfs/dbraw/zinc/35/69/73/412356973.db2.gz AYTXSHYPJDQXQU-NXEZZACHSA-N 2 0 225.336 0.100 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000662966716 412358764 /nfs/dbraw/zinc/35/87/64/412358764.db2.gz UYDUQGBKGJBKAV-ONGXEEELSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000662968759 412359771 /nfs/dbraw/zinc/35/97/71/412359771.db2.gz WTOOEKUPKSRUBI-IVZWLZJFSA-N 2 0 213.325 0.051 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000662746805 412290154 /nfs/dbraw/zinc/29/01/54/412290154.db2.gz RSCMTRZIJKAIEY-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662747812 412290250 /nfs/dbraw/zinc/29/02/50/412290250.db2.gz DKBFJIAKSBMZBM-NXEZZACHSA-N 2 0 231.315 0.272 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[NH2+]1 ZINC000662748106 412290335 /nfs/dbraw/zinc/29/03/35/412290335.db2.gz LRSSVZUQIWDMNN-UKKRHICBSA-N 2 0 243.326 0.272 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662754337 412291607 /nfs/dbraw/zinc/29/16/07/412291607.db2.gz LASWGRCEEFISKT-GMOBBJLQSA-N 2 0 237.347 0.323 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662759827 412292484 /nfs/dbraw/zinc/29/24/84/412292484.db2.gz BQXZRJOKKHXQBI-JTQLQIEISA-N 2 0 227.352 0.490 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000662759315 412292554 /nfs/dbraw/zinc/29/25/54/412292554.db2.gz ZNKNUUVFWAPJAO-GHMZBOCLSA-N 2 0 225.336 0.337 20 0 BCADRP CN(C(=O)CC1([NH3+])CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662760959 412292997 /nfs/dbraw/zinc/29/29/97/412292997.db2.gz JJSJPHBZFYWGAA-ZACCUICWSA-N 2 0 237.347 0.609 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662762027 412293532 /nfs/dbraw/zinc/29/35/32/412293532.db2.gz SKCMJDFWSZWIAE-OUAUKWLOSA-N 2 0 239.363 0.570 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000662762786 412294022 /nfs/dbraw/zinc/29/40/22/412294022.db2.gz BYQBMYLYLFWLQD-UWVGGRQHSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000662765910 412294898 /nfs/dbraw/zinc/29/48/98/412294898.db2.gz FWFAMCPVJGUFDU-NWDGAFQWSA-N 2 0 249.314 0.448 20 0 BCADRP C[C@@H]1CN(C(=O)CC2([NH3+])CC2)[C@H](C)C[NH2+]1 ZINC000662764005 412294954 /nfs/dbraw/zinc/29/49/54/412294954.db2.gz HCLNZZJNDHHGJE-RKDXNWHRSA-N 2 0 211.309 0.077 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000662766370 412295721 /nfs/dbraw/zinc/29/57/21/412295721.db2.gz MCDSYCKEXFYTEP-KKJSVHSVSA-N 2 0 237.347 0.310 20 0 BCADRP C[C@@]1(CNC(=O)CC2([NH3+])CC2)CCC[NH2+]C1 ZINC000662766200 412295819 /nfs/dbraw/zinc/29/58/19/412295819.db2.gz ZRKGFQQOAKAVJN-LLVKDONJSA-N 2 0 225.336 0.374 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662766992 412296387 /nfs/dbraw/zinc/29/63/87/412296387.db2.gz PTEJYPIIQNJADK-MRVPVSSYSA-N 2 0 211.309 0.125 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000662770641 412296696 /nfs/dbraw/zinc/29/66/96/412296696.db2.gz PYAJEWQDNCJSQX-XKNYDFJKSA-N 2 0 211.309 0.110 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000662770636 412297027 /nfs/dbraw/zinc/29/70/27/412297027.db2.gz PYAJEWQDNCJSQX-AATLWQCWSA-N 2 0 211.309 0.110 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662771825 412297114 /nfs/dbraw/zinc/29/71/14/412297114.db2.gz BLZMCGMJQDEXIQ-GMTAPVOTSA-N 2 0 225.336 0.311 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000662770347 412297166 /nfs/dbraw/zinc/29/71/66/412297166.db2.gz UOPPPELRHFAEOF-GHMZBOCLSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000662776696 412299209 /nfs/dbraw/zinc/29/92/09/412299209.db2.gz YPTOPQBHNCXHGS-GUBZILKMSA-N 2 0 213.325 0.193 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000662782713 412299696 /nfs/dbraw/zinc/29/96/96/412299696.db2.gz GNXVKRMYBXOTFS-RKDXNWHRSA-N 2 0 211.309 0.111 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662778206 412299814 /nfs/dbraw/zinc/29/98/14/412299814.db2.gz FSGNGGCLRYCYCV-VIFPVBQESA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CC1([NH3+])CC1 ZINC000662780958 412299885 /nfs/dbraw/zinc/29/98/85/412299885.db2.gz SVJBUZZFTMZDSL-YWVKMMECSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H](NC(=O)c1cccc2c1CC[NH2+]C2)[C@H](C)[NH3+] ZINC000662783476 412300764 /nfs/dbraw/zinc/30/07/64/412300764.db2.gz PISFBPSAJCPELI-VHSXEESVSA-N 2 0 247.342 0.798 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662786295 412301917 /nfs/dbraw/zinc/30/19/17/412301917.db2.gz QXMSXKYAKYCOBJ-XYPYZODXSA-N 2 0 239.363 0.713 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663011328 412369615 /nfs/dbraw/zinc/36/96/15/412369615.db2.gz PJVKJFOMDWKHHN-ZWNOBZJWSA-N 2 0 241.379 0.879 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663013627 412371012 /nfs/dbraw/zinc/37/10/12/412371012.db2.gz FAAISGMLQIPPGG-AAEUAGOBSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@]1(NC(=O)c2ccc3c[nH+]cn3c2)CC[NH2+]C1 ZINC000663013745 412371191 /nfs/dbraw/zinc/37/11/91/412371191.db2.gz PMMHOHCHLPSWHF-CYBMUJFWSA-N 2 0 244.298 0.816 20 0 BCADRP CCCN(C(=O)[C@H]([NH3+])CC)[C@@H]1CC[NH2+]C1 ZINC000309787597 487623197 /nfs/dbraw/zinc/62/31/97/487623197.db2.gz OMIJXRMNDDUHLV-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP CN(C(=O)CN1CCCC[C@@H]1CC[NH3+])C1CC1 ZINC000111380631 172308834 /nfs/dbraw/zinc/30/88/34/172308834.db2.gz CBMWJEHROACJLZ-GFCCVEGCSA-N 2 0 239.363 0.811 20 0 BCADRP CN(C(=O)C[C@@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000125479455 172314285 /nfs/dbraw/zinc/31/42/85/172314285.db2.gz IDGNQKVCDATYLV-JTQLQIEISA-N 2 0 225.336 0.339 20 0 BCADRP CN(C(=O)NC[C@H]1CCC[N@@H+]1C)C1CC([NH3+])C1 ZINC000333896876 172320227 /nfs/dbraw/zinc/32/02/27/172320227.db2.gz AWHRQLYQJFKOKD-HSOILSAZSA-N 2 0 240.351 0.212 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000309395286 172359068 /nfs/dbraw/zinc/35/90/68/172359068.db2.gz STSRGIOOJSEEJT-QWRGUYRKSA-N 2 0 225.336 0.006 20 0 BCADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228547754 172367857 /nfs/dbraw/zinc/36/78/57/172367857.db2.gz FKBXAKMHBWTDCR-HBNTYKKESA-N 2 0 225.336 0.134 20 0 BCADRP C[NH+](C)CCCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000309476997 172437490 /nfs/dbraw/zinc/43/74/90/172437490.db2.gz SDUCXMANRNTQRH-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000366671943 172437711 /nfs/dbraw/zinc/43/77/11/172437711.db2.gz KFFRSNYSUVIIPV-DGCLKSJQSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH+](C)Cc1ccnc(NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000237061302 172505949 /nfs/dbraw/zinc/50/59/49/172505949.db2.gz QGHOZTMTEYIVQE-NSHDSACASA-N 2 0 248.330 0.834 20 0 BCADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCO ZINC000371300063 172529441 /nfs/dbraw/zinc/52/94/41/172529441.db2.gz MOHHNBGQQNZEAW-IJLUTSLNSA-N 2 0 228.336 0.162 20 0 BCADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[NH2+]CC1 ZINC000082654357 173008272 /nfs/dbraw/zinc/00/82/72/173008272.db2.gz FETVBEKOIIKHNV-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[NH+](C)CC2)C1 ZINC000334930800 173015438 /nfs/dbraw/zinc/01/54/38/173015438.db2.gz OAMMFRTZXWFPGA-NSHDSACASA-N 2 0 225.336 0.102 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000040673648 173021484 /nfs/dbraw/zinc/02/14/84/173021484.db2.gz DMQAXSAXUNVKPW-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000226393947 173029824 /nfs/dbraw/zinc/02/98/24/173029824.db2.gz QYAMNNVLVGAEPJ-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CC(F)F ZINC000309221325 173030216 /nfs/dbraw/zinc/03/02/16/173030216.db2.gz YEAFOXKKCHNACM-HTQZYQBOSA-N 2 0 235.278 0.179 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000333934972 173030984 /nfs/dbraw/zinc/03/09/84/173030984.db2.gz JAGRBYYSZLMISQ-GHMZBOCLSA-N 2 0 240.351 0.213 20 0 BCADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CC[NH3+] ZINC000371262270 173033171 /nfs/dbraw/zinc/03/31/71/173033171.db2.gz JVWREWLLIIGHIJ-MNOVXSKESA-N 2 0 225.336 0.420 20 0 BCADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOCCO)C2)C1 ZINC000339432683 173038538 /nfs/dbraw/zinc/03/85/38/173038538.db2.gz KOIRCNPBCQZKDZ-CYBMUJFWSA-N 2 0 242.363 0.413 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)c2ccnc(C[NH3+])c2)C1 ZINC000130063196 173114011 /nfs/dbraw/zinc/11/40/11/173114011.db2.gz JQOLLTTWHWBLSK-JTQLQIEISA-N 2 0 248.330 0.222 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062893826 173145893 /nfs/dbraw/zinc/14/58/93/173145893.db2.gz ZVAOLTWXVQJDRG-ZYHUDNBSSA-N 2 0 225.336 0.054 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000341906127 173281822 /nfs/dbraw/zinc/28/18/22/173281822.db2.gz WWJXKUYLLIPBIX-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP CNC(=O)[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000341865023 173296982 /nfs/dbraw/zinc/29/69/82/173296982.db2.gz DBPPLBNOBZZWDS-RYUDHWBXSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]CC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000237179068 173324468 /nfs/dbraw/zinc/32/44/68/173324468.db2.gz PVQOJESWDSEOQT-SECBINFHSA-N 2 0 201.314 0.038 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000371263361 173326542 /nfs/dbraw/zinc/32/65/42/173326542.db2.gz XWAGAMMZCPNGCH-GHMZBOCLSA-N 2 0 225.336 0.291 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000366450134 173326752 /nfs/dbraw/zinc/32/67/52/173326752.db2.gz OUMBQQQFGDTPPY-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973497 173327180 /nfs/dbraw/zinc/32/71/80/173327180.db2.gz SVYWGOOIMOQDBI-NSHDSACASA-N 2 0 225.336 0.293 20 0 BCADRP C[NH2+]CC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370771176 173327816 /nfs/dbraw/zinc/32/78/16/173327816.db2.gz GCUYCUIBEUDIMM-SRVKXCTJSA-N 2 0 237.347 0.149 20 0 BCADRP C[NH2+]CC(=O)NCC1([NH+](C)C)CCCC1 ZINC000110374384 173328543 /nfs/dbraw/zinc/32/85/43/173328543.db2.gz CQHUUBCGWOLWFV-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP C[NH2+]CC(=O)NCCCCC[NH+]1CCCCC1 ZINC000237220541 173329307 /nfs/dbraw/zinc/32/93/07/173329307.db2.gz OWHPOIRSDYFMSE-UHFFFAOYSA-N 2 0 241.379 0.978 20 0 BCADRP C[NH2+]CC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000237238473 173329937 /nfs/dbraw/zinc/32/99/37/173329937.db2.gz KKBPYVYASSJUJX-LLVKDONJSA-N 2 0 227.352 0.300 20 0 BCADRP C[NH2+]CC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040670579 173330168 /nfs/dbraw/zinc/33/01/68/173330168.db2.gz HEHFASOARAUEDW-YPMHNXCESA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]CC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000036999108 173331359 /nfs/dbraw/zinc/33/13/59/173331359.db2.gz FMWPZRZKXPRULZ-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[NH2+]CC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000237276202 173332724 /nfs/dbraw/zinc/33/27/24/173332724.db2.gz ZFEYQOWALRJTQG-JTQLQIEISA-N 2 0 201.314 0.086 20 0 BCADRP C[N@H+](CCC[NH3+])CCO[C@@H]1CC1(F)F ZINC000662246872 487626450 /nfs/dbraw/zinc/62/64/50/487626450.db2.gz UOYGMZYFLDCGDJ-MRVPVSSYSA-N 2 0 208.252 0.691 20 0 BCADRP C[NH2+]CC1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000226420690 173338692 /nfs/dbraw/zinc/33/86/92/173338692.db2.gz QJCBFOFJMCETDW-UHFFFAOYSA-N 2 0 236.363 0.894 20 0 BCADRP C[NH2+]CC1CC[NH+](CC(=O)NCC2CC2)CC1 ZINC000063165790 173338882 /nfs/dbraw/zinc/33/88/82/173338882.db2.gz GKLRJMOSSXSOEV-UHFFFAOYSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+]CCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000043605142 173339450 /nfs/dbraw/zinc/33/94/50/173339450.db2.gz IPOZXPVZHVNMNT-NSHDSACASA-N 2 0 225.336 0.293 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000375965842 173339549 /nfs/dbraw/zinc/33/95/49/173339549.db2.gz TXHNAVQKFDJBIO-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000043605141 173339616 /nfs/dbraw/zinc/33/96/16/173339616.db2.gz IPOZXPVZHVNMNT-LLVKDONJSA-N 2 0 225.336 0.293 20 0 BCADRP C[NH2+]CCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000375834066 173339718 /nfs/dbraw/zinc/33/97/18/173339718.db2.gz KKNXPNXRUALSCF-GARJFASQSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973395 173339805 /nfs/dbraw/zinc/33/98/05/173339805.db2.gz VFUHVVACTQMFDZ-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH2+]CCC(=O)NCCC[NH+]1CCCC1 ZINC000043599997 173340105 /nfs/dbraw/zinc/34/01/05/173340105.db2.gz PIQKVMDLVUOCCC-UHFFFAOYSA-N 2 0 213.325 0.198 20 0 BCADRP C[NH2+]CCC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000043605823 173340182 /nfs/dbraw/zinc/34/01/82/173340182.db2.gz IHXCOEKECSEKNW-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH2+]CCCC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000237114627 173342804 /nfs/dbraw/zinc/34/28/04/173342804.db2.gz JUOZUTDKRJLPMV-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP C[NH2+]CCC1CC[NH+](CCOCCOC)CC1 ZINC000070481639 173342823 /nfs/dbraw/zinc/34/28/23/173342823.db2.gz AKISNSOMVCNGLH-UHFFFAOYSA-N 2 0 244.379 0.971 20 0 BCADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC000070189615 173343278 /nfs/dbraw/zinc/34/32/78/173343278.db2.gz XXSNOBHASMPMIR-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]CCCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000037611392 173343582 /nfs/dbraw/zinc/34/35/82/173343582.db2.gz OBCWMWZTKSIGRM-UHFFFAOYSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000037821716 173343656 /nfs/dbraw/zinc/34/36/56/173343656.db2.gz MVSUOSFSFCIQHE-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000082544478 173346076 /nfs/dbraw/zinc/34/60/76/173346076.db2.gz BJBATGBHKMQRQB-NSHDSACASA-N 2 0 200.326 0.954 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000310123951 173346207 /nfs/dbraw/zinc/34/62/07/173346207.db2.gz IRSKIOFOXNSCFL-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+]CCC[NH+]1CCC(CC(N)=O)CC1 ZINC000042438701 173346891 /nfs/dbraw/zinc/34/68/91/173346891.db2.gz IWQAOMGFTODOKZ-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP C[NH2+]CCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000336741007 173347225 /nfs/dbraw/zinc/34/72/25/173347225.db2.gz MVIRLMNVGFWWBC-SRVKXCTJSA-N 3 0 211.353 0.655 20 0 BCADRP C[NH2+]CCC[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000042438678 173347353 /nfs/dbraw/zinc/34/73/53/173347353.db2.gz XQRVOPHSFSWGFJ-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]CCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357085427 173347434 /nfs/dbraw/zinc/34/74/34/173347434.db2.gz SVCSRFKMBMVNOI-ZDUSSCGKSA-N 3 0 225.380 0.917 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000309639958 173347506 /nfs/dbraw/zinc/34/75/06/173347506.db2.gz OHFTUKAVGLCKLN-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000121118870 173348060 /nfs/dbraw/zinc/34/80/60/173348060.db2.gz XHRXOKWTOUOISJ-SNVBAGLBSA-N 2 0 215.341 0.298 20 0 BCADRP C[NH2+]CCC[NH2+]C1(C(N)=O)CCCCC1 ZINC000336667258 173348957 /nfs/dbraw/zinc/34/89/57/173348957.db2.gz FPYBORNEGPSPOM-UHFFFAOYSA-N 2 0 213.325 0.374 20 0 BCADRP C[NH2+]CCCNC(=O)c1ccc(C[NH3+])cc1 ZINC000083351455 173349154 /nfs/dbraw/zinc/34/91/54/173349154.db2.gz PXEANPVQXDOAAM-UHFFFAOYSA-N 2 0 221.304 0.485 20 0 BCADRP C[NH2+]CCN(C)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000070304843 173351508 /nfs/dbraw/zinc/35/15/08/173351508.db2.gz JMFOZUXGKODSCG-LBPRGKRZSA-N 2 0 235.331 0.754 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000070304847 173351887 /nfs/dbraw/zinc/35/18/87/173351887.db2.gz AYTHJUPXXXNRCW-GFCCVEGCSA-N 2 0 235.331 0.407 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368124620 173352116 /nfs/dbraw/zinc/35/21/16/173352116.db2.gz INKJPOGEEMHCRH-NWDGAFQWSA-N 2 0 239.363 0.300 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000237317130 173352413 /nfs/dbraw/zinc/35/24/13/173352413.db2.gz PUHZPHXENMYXTD-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000237073060 173354934 /nfs/dbraw/zinc/35/49/34/173354934.db2.gz VYIVQXITMRXDES-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000125655849 173362393 /nfs/dbraw/zinc/36/23/93/173362393.db2.gz ABWKLQKXZHWWFT-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000092134713 173362817 /nfs/dbraw/zinc/36/28/17/173362817.db2.gz HEPSVKYNRPUYCJ-GFCCVEGCSA-N 2 0 241.379 0.642 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000336612219 173362773 /nfs/dbraw/zinc/36/27/73/173362773.db2.gz SVLYNSSTTYVDBC-LLVKDONJSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCCC[NH+]1CCCCC1 ZINC000092132736 173362823 /nfs/dbraw/zinc/36/28/23/173362823.db2.gz GOJKBVAPDMIXMC-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@H+](CCc2cnn(C)c2)C1 ZINC000226418713 173367479 /nfs/dbraw/zinc/36/74/79/173367479.db2.gz RRXHETCMQMCNEU-LBPRGKRZSA-N 2 0 236.363 0.894 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000040601354 173367759 /nfs/dbraw/zinc/36/77/59/173367759.db2.gz QVBRFFRQBPQJHA-ZDUSSCGKSA-N 2 0 241.379 0.250 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)COC)C1 ZINC000226705468 173368334 /nfs/dbraw/zinc/36/83/34/173368334.db2.gz PHXWYSLJSOAZLF-QWRGUYRKSA-N 2 0 200.326 0.953 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCC1([NH3+])CCC1 ZINC000332030764 173368785 /nfs/dbraw/zinc/36/87/85/173368785.db2.gz OCNZNOAKFVDNHC-JTQLQIEISA-N 2 0 240.351 0.261 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CCCN2CCOCC2)C1 ZINC000053030922 173369599 /nfs/dbraw/zinc/36/95/99/173369599.db2.gz ABDUDCCQWKGKOF-ZDUSSCGKSA-N 2 0 241.379 0.250 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000375936006 173374076 /nfs/dbraw/zinc/37/40/76/173374076.db2.gz YKZVBHHWALOWFW-AXFHLTTASA-N 2 0 225.336 0.052 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000092136847 173374244 /nfs/dbraw/zinc/37/42/44/173374244.db2.gz VQNBTCXWEQNFPR-RYUDHWBXSA-N 2 0 241.379 0.690 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000237345617 173374546 /nfs/dbraw/zinc/37/45/46/173374546.db2.gz HRNWKSARQYENOT-HBNTYKKESA-N 2 0 227.352 0.476 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000092132819 173374608 /nfs/dbraw/zinc/37/46/08/173374608.db2.gz AXNCPKAZJCHMCE-NWDGAFQWSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251148090 173374720 /nfs/dbraw/zinc/37/47/20/173374720.db2.gz XTULJBRPJQIWNS-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000237053268 173374792 /nfs/dbraw/zinc/37/47/92/173374792.db2.gz UQURVVVLVSSZHV-CMPLNLGQSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000237348555 173375007 /nfs/dbraw/zinc/37/50/07/173375007.db2.gz WEABQDWJZFRUEF-WDEREUQCSA-N 2 0 243.395 0.934 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@H+](CCOCCOC)C1 ZINC000070027619 173379197 /nfs/dbraw/zinc/37/91/97/173379197.db2.gz OWXBERRGWAMPLC-GFCCVEGCSA-N 2 0 230.352 0.581 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000364468528 173380720 /nfs/dbraw/zinc/38/07/20/173380720.db2.gz QTIGVIFOTOKGDH-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000180896527 173432603 /nfs/dbraw/zinc/43/26/03/173432603.db2.gz MFNKWTZPJYJVEK-DGCLKSJQSA-N 2 0 239.363 0.729 20 0 BCADRP COCC(C)(C)C[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000336724992 174073035 /nfs/dbraw/zinc/07/30/35/174073035.db2.gz BMJUYJLRXVGQAI-LBPRGKRZSA-N 2 0 230.352 0.315 20 0 BCADRP COCC(C)(C)C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000309543772 174073597 /nfs/dbraw/zinc/07/35/97/174073597.db2.gz GKVJCAZUHMEYJD-LBPRGKRZSA-N 2 0 232.368 0.561 20 0 BCADRP COCCC[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000361893635 174260571 /nfs/dbraw/zinc/26/05/71/174260571.db2.gz YAXOWUUKCLUIDJ-GFCCVEGCSA-N 2 0 244.379 0.848 20 0 BCADRP COCCN(CCOC)C[C@@]1(C)CC[NH2+]C1 ZINC000062911593 174296306 /nfs/dbraw/zinc/29/63/06/174296306.db2.gz BEHVVLQODGUSFE-LBPRGKRZSA-N 2 0 230.352 0.581 20 0 BCADRP COCCOCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000352434905 174353300 /nfs/dbraw/zinc/35/33/00/174353300.db2.gz CUDMNSICNBNUHX-UHFFFAOYSA-N 2 0 244.379 0.923 20 0 BCADRP COCCOCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000070026702 174354008 /nfs/dbraw/zinc/35/40/08/174354008.db2.gz BYRXWMITIGEDKG-NSHDSACASA-N 2 0 230.352 0.709 20 0 BCADRP COCCOCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251530811 174355181 /nfs/dbraw/zinc/35/51/81/174355181.db2.gz AIJDHQCDPHCIMZ-GHMZBOCLSA-N 2 0 216.325 0.319 20 0 BCADRP COCCOC[C@H](C)[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000309674655 174363083 /nfs/dbraw/zinc/36/30/83/174363083.db2.gz XJPZRBNEUAZXKB-GRYCIOLGSA-N 2 0 230.352 0.578 20 0 BCADRP COCCOC[C@H](C)[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000309674658 174363625 /nfs/dbraw/zinc/36/36/25/174363625.db2.gz XJPZRBNEUAZXKB-SDDRHHMPSA-N 2 0 230.352 0.578 20 0 BCADRP COCC[C@@H](C)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000336762271 174382750 /nfs/dbraw/zinc/38/27/50/174382750.db2.gz NNKSVIDSBZJBEK-MNOVXSKESA-N 2 0 216.325 0.068 20 0 BCADRP COC[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000121077778 174457644 /nfs/dbraw/zinc/45/76/44/174457644.db2.gz HGHLFKPGYAZVJG-QWHCGFSZSA-N 2 0 243.395 0.494 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000054342492 175704768 /nfs/dbraw/zinc/70/47/68/175704768.db2.gz GLEMOUYNLHFEIL-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)C1([NH3+])CCCCC1 ZINC000309418765 175707318 /nfs/dbraw/zinc/70/73/18/175707318.db2.gz JNQNMGXGTPOSGG-VIFPVBQESA-N 2 0 213.325 0.359 20 0 BCADRP C[C@@H]1CCC[C@@](CNC(=O)CC[NH3+])([NH+](C)C)C1 ZINC000040670527 176133992 /nfs/dbraw/zinc/13/39/92/176133992.db2.gz AQDUBAHGIDLLPX-DGCLKSJQSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040670571 176152480 /nfs/dbraw/zinc/15/24/80/176152480.db2.gz UFAYGOWCKXXSTQ-WZRBSPASSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1CCN(C(=O)C[NH+](C)C)[C@H](C[NH3+])C1 ZINC000235267833 176155071 /nfs/dbraw/zinc/15/50/71/176155071.db2.gz LQMHUMAZTKZIJO-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H]1CCN(C(=O)CCC[NH3+])[C@@H](C[NH3+])C1 ZINC000340159788 176155769 /nfs/dbraw/zinc/15/57/69/176155769.db2.gz KPSDZBQDRGSXOZ-NXEZZACHSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])C2CCC2)C[C@H]1C[NH3+] ZINC000332446907 176161525 /nfs/dbraw/zinc/16/15/25/176161525.db2.gz MHOQTQKOINDETO-YUSALJHKSA-N 2 0 239.363 0.557 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000186847682 176185647 /nfs/dbraw/zinc/18/56/47/176185647.db2.gz FSHQGAKNPAZWMR-PWSUYJOCSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CC(F)(F)CN1 ZINC000376909303 176185884 /nfs/dbraw/zinc/18/58/84/176185884.db2.gz UXVVBCNURFAAOV-IWSPIJDZSA-N 2 0 247.289 0.098 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000226084598 176186241 /nfs/dbraw/zinc/18/62/41/176186241.db2.gz DWKWFORBWOYJLU-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC000126108992 176187082 /nfs/dbraw/zinc/18/70/82/176187082.db2.gz NLMWXUASJUETSV-PWSUYJOCSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]1CC12C[NH2+]C2 ZINC000375967068 176187211 /nfs/dbraw/zinc/18/72/11/176187211.db2.gz AENZHVXVWKOMBJ-CHWFTXMASA-N 2 0 237.347 0.099 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000357300317 176187342 /nfs/dbraw/zinc/18/73/42/176187342.db2.gz DWQRFHGVAUOZOH-HNCHTBHHSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C)C[C@@H]1[NH3+] ZINC000333948726 176251515 /nfs/dbraw/zinc/25/15/15/176251515.db2.gz WOYYIXBTNDEQIE-MXWKQRLJSA-N 2 0 240.351 0.069 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC[C@H]1[NH3+] ZINC000367385634 176254387 /nfs/dbraw/zinc/25/43/87/176254387.db2.gz KRGYPLLYNVLRTC-DDHJBXDOSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C)C[NH2+]1 ZINC000356392447 176255334 /nfs/dbraw/zinc/25/53/34/176255334.db2.gz QLBZGAMJKGFWJE-DDHJBXDOSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000309784910 176268240 /nfs/dbraw/zinc/26/82/40/176268240.db2.gz NULMCXNJZMRRIX-WXHSDQCUSA-N 2 0 226.364 0.935 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000336751167 176271034 /nfs/dbraw/zinc/27/10/34/176271034.db2.gz CAECIYVLZXCBEH-IJLUTSLNSA-N 2 0 228.336 0.068 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000362763800 176272359 /nfs/dbraw/zinc/27/23/59/176272359.db2.gz WJGQIBDCPFYIMW-NEPJUHHUSA-N 2 0 241.379 0.642 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000335605722 176272511 /nfs/dbraw/zinc/27/25/11/176272511.db2.gz FPTCYSPKGIFOKC-YPMHNXCESA-N 2 0 223.364 0.788 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCC[NH+](C)C ZINC000362763803 176275439 /nfs/dbraw/zinc/27/54/39/176275439.db2.gz WJGQIBDCPFYIMW-VXGBXAGGSA-N 2 0 241.379 0.642 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000300414033 176279851 /nfs/dbraw/zinc/27/98/51/176279851.db2.gz ILYFJOMGAOEZAM-LPWJVIDDSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@H](CN(C)C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000301034545 176345120 /nfs/dbraw/zinc/34/51/20/176345120.db2.gz STHHAOBEGMGBHL-GMTAPVOTSA-N 2 0 200.326 0.951 20 0 BCADRP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000309457673 176352927 /nfs/dbraw/zinc/35/29/27/176352927.db2.gz NZNWMGZEQSUTRU-WOPDTQHZSA-N 2 0 244.404 0.784 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC1CC[NH2+]CC1 ZINC000335605244 176367817 /nfs/dbraw/zinc/36/78/17/176367817.db2.gz HTQPASBDBAWNGE-PWSUYJOCSA-N 3 0 211.353 0.655 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCC2)CC[N@@H+]1C ZINC000133414043 176375438 /nfs/dbraw/zinc/37/54/38/176375438.db2.gz IVGVVPQKVCXQFA-MNOVXSKESA-N 2 0 212.337 0.974 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C(C)(C)C[NH3+])CC[NH2+]1 ZINC000336268593 176417360 /nfs/dbraw/zinc/41/73/60/176417360.db2.gz OTIBSHUXPDOHEI-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000193661659 176458460 /nfs/dbraw/zinc/45/84/60/176458460.db2.gz YKHLQNWNSLISJZ-QWRGUYRKSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000332167021 176459187 /nfs/dbraw/zinc/45/91/87/176459187.db2.gz SJJLOWGVCXUEOR-GDPRMGEGSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000332078768 176620709 /nfs/dbraw/zinc/62/07/09/176620709.db2.gz YDXBKDWFZTTWBT-BBBLOLIVSA-N 2 0 200.326 0.863 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000377555044 176759075 /nfs/dbraw/zinc/75/90/75/176759075.db2.gz QLLQHTCVPNSNKT-IVZWLZJFSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H](C)[NH3+] ZINC000134162094 176763979 /nfs/dbraw/zinc/76/39/79/176763979.db2.gz ULVBXDLNHNLSRV-VWYCJHECSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@H]([NH2+]C[C@H]1COCCO1)C1CC[NH+](C)CC1 ZINC000038060774 176871253 /nfs/dbraw/zinc/87/12/53/176871253.db2.gz GEFKBGWFLXDZKY-AAEUAGOBSA-N 2 0 242.363 0.722 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NCCCC[NH+](C)C)C1 ZINC000127070134 177175312 /nfs/dbraw/zinc/17/53/12/177175312.db2.gz YYIWMPNUTWAXJA-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C1CC[NH+](C)CC1 ZINC000336519614 177213919 /nfs/dbraw/zinc/21/39/19/177213919.db2.gz LUUUHMISXXZGEF-WDEREUQCSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]1CN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC[NH2+]1 ZINC000180897654 177224082 /nfs/dbraw/zinc/22/40/82/177224082.db2.gz XCBMEPGUUUVUKR-CMPLNLGQSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccn(C)n1 ZINC000355060388 177234009 /nfs/dbraw/zinc/23/40/09/177234009.db2.gz ODUQRIHSUKHRRV-WCQYABFASA-N 2 0 236.363 0.892 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH+](C)C ZINC000362357096 177234263 /nfs/dbraw/zinc/23/42/63/177234263.db2.gz DNWZTOFXRNJFJR-QWRGUYRKSA-N 2 0 227.352 0.252 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)Cc1ncc[nH]1 ZINC000362762505 177234729 /nfs/dbraw/zinc/23/47/29/177234729.db2.gz JWHZJHGJACHKBB-UWVGGRQHSA-N 2 0 236.319 0.566 20 0 BCADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000309771425 177245998 /nfs/dbraw/zinc/24/59/98/177245998.db2.gz KNVPLRFXWKCQTQ-JQWIXIFHSA-N 3 0 211.353 0.655 20 0 BCADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1O ZINC000127617884 177247001 /nfs/dbraw/zinc/24/70/01/177247001.db2.gz JYEJKDLJDFXJEV-JQWIXIFHSA-N 2 0 212.337 0.689 20 0 BCADRP C[C@H]1C[NH2+]C[C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000111263919 177286108 /nfs/dbraw/zinc/28/61/08/177286108.db2.gz QBVGUIGTEPRFEH-RYUDHWBXSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H]1C[C@@H](C[N@@H+]2CCCNCC2)CC[NH2+]1 ZINC000334587641 177324473 /nfs/dbraw/zinc/32/44/73/177324473.db2.gz YBOOIXLJDBRRSY-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCCn2ccnn2)CC[N@@H+]1C ZINC000126488860 177332337 /nfs/dbraw/zinc/33/23/37/177332337.db2.gz VUBMUPVRGAHKPN-RYUDHWBXSA-N 2 0 237.351 0.741 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCc1cnn(C)c1 ZINC000228659163 177361981 /nfs/dbraw/zinc/36/19/81/177361981.db2.gz KMSWJDVTJPBVCL-CMPLNLGQSA-N 2 0 222.336 0.632 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C1CC[NH2+]CC1 ZINC000193523461 177395025 /nfs/dbraw/zinc/39/50/25/177395025.db2.gz UQNDWTXXYYLBPK-KOLCDFICSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000368553826 177396111 /nfs/dbraw/zinc/39/61/11/177396111.db2.gz AGFXDNPAYUHYIL-IJLUTSLNSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333671651 177419564 /nfs/dbraw/zinc/41/95/64/177419564.db2.gz NEWPSBZRCUOQIE-DCAQKATOSA-N 2 0 240.351 0.260 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000383596259 487643280 /nfs/dbraw/zinc/64/32/80/487643280.db2.gz PDWQAXMQRAQROS-RWMBFGLXSA-N 2 0 244.379 0.702 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCC1 ZINC000486909558 225272583 /nfs/dbraw/zinc/27/25/83/225272583.db2.gz GGWIHFYJGSBZLQ-QWRGUYRKSA-N 2 0 225.336 0.006 20 0 BCADRP C[C@H]1C[N@H+](C)CCN1C(=O)/C=C/c1ncc[nH]1 ZINC000493351739 226192670 /nfs/dbraw/zinc/19/26/70/226192670.db2.gz KQXAEKKYOLTQKG-FSIBCCDJSA-N 2 0 234.303 0.585 20 0 BCADRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)C[C@H](C)[NH2+]1 ZINC000494563434 226266346 /nfs/dbraw/zinc/26/63/46/226266346.db2.gz HWDNMPNMPVKIIN-TUAOUCFPSA-N 2 0 239.363 0.727 20 0 BCADRP C[N@H+](CCOCC1CC1)C[C@@H]1CC[NH2+]C1 ZINC000087399726 487653103 /nfs/dbraw/zinc/65/31/03/487653103.db2.gz QJPIEVMTNBALRM-GFCCVEGCSA-N 2 0 212.337 0.954 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000226082842 487656195 /nfs/dbraw/zinc/65/61/95/487656195.db2.gz WWNCMRYVQHRELT-JTQLQIEISA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](C)[NH3+] ZINC000669588465 487657105 /nfs/dbraw/zinc/65/71/05/487657105.db2.gz BORVQOXXIVDDCN-UWVGGRQHSA-N 2 0 230.356 0.362 20 0 BCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](C)[NH3+] ZINC000669588466 487657246 /nfs/dbraw/zinc/65/72/46/487657246.db2.gz BORVQOXXIVDDCN-ZJUUUORDSA-N 2 0 230.356 0.362 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)[C@@H]1CO ZINC000383678262 487660176 /nfs/dbraw/zinc/66/01/76/487660176.db2.gz QAKJOYJECHYFAV-UPJWGTAASA-N 2 0 244.379 0.390 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC000335720942 487661331 /nfs/dbraw/zinc/66/13/31/487661331.db2.gz UWOOMEXHQMZJMF-NXEZZACHSA-N 2 0 225.336 0.644 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662591811 487663569 /nfs/dbraw/zinc/66/35/69/487663569.db2.gz FYFUBYFCZFCQMI-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP Cn1cncc1CCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000314865452 487668891 /nfs/dbraw/zinc/66/88/91/487668891.db2.gz JTZMVILYSVVTMD-LLVKDONJSA-N 2 0 222.336 0.633 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CCCc2cncn2C)C1 ZINC000314866720 487669219 /nfs/dbraw/zinc/66/92/19/487669219.db2.gz JZLVEDUDOYSYQF-GFCCVEGCSA-N 2 0 236.363 0.894 20 0 BCADRP Cn1cncc1CCC[N@H+](C)CCC[NH3+] ZINC000314995217 487670303 /nfs/dbraw/zinc/67/03/03/487670303.db2.gz ZKECPZQGPLKIFB-UHFFFAOYSA-N 2 0 210.325 0.633 20 0 BCADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C[NH3+] ZINC000307652139 229218280 /nfs/dbraw/zinc/21/82/80/229218280.db2.gz JILKFMLNCFFGLX-WCQYABFASA-N 2 0 247.342 0.582 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)[NH+](C)C ZINC000675147478 487674624 /nfs/dbraw/zinc/67/46/24/487674624.db2.gz SKSUMVOXBFYTAB-JBLDHEPKSA-N 2 0 239.363 0.535 20 0 BCADRP O[C@@H](C[NH2+]C[C@H]1CCCS1)C[NH+]1CCCC1 ZINC000087668892 487676866 /nfs/dbraw/zinc/67/68/66/487676866.db2.gz XGPHQUFGAHYQST-NWDGAFQWSA-N 2 0 244.404 0.928 20 0 BCADRP Nc1cc[nH+]cc1C(=O)NCC[NH2+]C1CC1 ZINC000187174952 487677353 /nfs/dbraw/zinc/67/73/53/487677353.db2.gz BVGZIGKFNQRVEB-UHFFFAOYSA-N 2 0 220.276 0.146 20 0 BCADRP C[NH2+]CCC[N@H+](C)CCCc1cncn1C ZINC000314129351 487679709 /nfs/dbraw/zinc/67/97/09/487679709.db2.gz FCRNAVYMQOSKHM-UHFFFAOYSA-N 2 0 224.352 0.894 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1cnn(C)c1 ZINC000227258048 487681048 /nfs/dbraw/zinc/68/10/48/487681048.db2.gz RCOGPLZKTGRXSY-JQWIXIFHSA-N 2 0 222.336 0.774 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000653112647 487687519 /nfs/dbraw/zinc/68/75/19/487687519.db2.gz FJNCPJBGYXMZIX-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)[C@@H](CCO)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000384039965 487689716 /nfs/dbraw/zinc/68/97/16/487689716.db2.gz UWSBGFOYNOFCJY-QWHCGFSZSA-N 2 0 246.395 0.684 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399170132 262777674 /nfs/dbraw/zinc/77/76/74/262777674.db2.gz GEJKISSCCHRLCJ-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000191340491 487703867 /nfs/dbraw/zinc/70/38/67/487703867.db2.gz YWQIVYYPOMXFRH-KXUCPTDWSA-N 2 0 211.309 0.064 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)NCC[NH2+]C2CC2)C1 ZINC000669403038 487705759 /nfs/dbraw/zinc/70/57/59/487705759.db2.gz GDBVQFFTERUPFR-NSHDSACASA-N 2 0 240.351 0.132 20 0 BCADRP C[C@H]1CN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC000669403346 487706166 /nfs/dbraw/zinc/70/61/66/487706166.db2.gz WADWGACERJHYNI-WDEREUQCSA-N 2 0 240.351 0.084 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000336596416 487712961 /nfs/dbraw/zinc/71/29/61/487712961.db2.gz VOUIXELZAQPKGG-GFCCVEGCSA-N 2 0 225.336 0.198 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000674246545 487721777 /nfs/dbraw/zinc/72/17/77/487721777.db2.gz NKFYQLOZDAXMMZ-WDEREUQCSA-N 2 0 227.352 0.489 20 0 BCADRP CC[NH+]1CCC(NC(=O)CC(C)(C)[NH3+])CC1 ZINC000082772126 487730508 /nfs/dbraw/zinc/73/05/08/487730508.db2.gz AGSSYJGLHZQOHM-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP CNC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250418897 487731471 /nfs/dbraw/zinc/73/14/71/487731471.db2.gz YRNAWBRSUBVDBK-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000226396313 487731599 /nfs/dbraw/zinc/73/15/99/487731599.db2.gz WKQYEFOAZDTZFF-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CC(C)(C)[NH3+] ZINC000226396619 487731374 /nfs/dbraw/zinc/73/13/74/487731374.db2.gz FMROUTSKERTRSO-SNVBAGLBSA-N 2 0 229.368 0.960 20 0 BCADRP C[NH2+]CCCC(=O)N(C)CCC[NH2+]C ZINC000087471634 487733460 /nfs/dbraw/zinc/73/34/60/487733460.db2.gz NBDBPPMATBBLIH-UHFFFAOYSA-N 2 0 201.314 0.054 20 0 BCADRP C[C@@H](CNC(=O)CC(C)(C)[NH3+])[N@H+](C)C1CC1 ZINC000226398837 487734386 /nfs/dbraw/zinc/73/43/86/487734386.db2.gz XYRWBSUZCFHIGN-VIFPVBQESA-N 2 0 227.352 0.713 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H](C)[NH+](C)C ZINC000155553099 487751280 /nfs/dbraw/zinc/75/12/80/487751280.db2.gz WPKNOIZWRPEPOS-UWVGGRQHSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@@H](C(=O)N1CCCC[C@@H]1C[NH+](C)C)[NH+](C)C ZINC000674264185 487759991 /nfs/dbraw/zinc/75/99/91/487759991.db2.gz SEMSIYMXLOLINX-NWDGAFQWSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H](C(=O)N1CCCC[C@H]1C[NH+](C)C)[NH+](C)C ZINC000674264189 487760192 /nfs/dbraw/zinc/76/01/92/487760192.db2.gz SEMSIYMXLOLINX-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251556260 487768466 /nfs/dbraw/zinc/76/84/66/487768466.db2.gz LZDDNILQISKDIQ-AXFHLTTASA-N 2 0 227.352 0.522 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000662964461 487772610 /nfs/dbraw/zinc/77/26/10/487772610.db2.gz BMYDBRIWFIMMHP-ZYHUDNBSSA-N 2 0 235.331 0.801 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC000662965142 487773726 /nfs/dbraw/zinc/77/37/26/487773726.db2.gz HUOYTPKEDDDQGO-VIFPVBQESA-N 2 0 201.314 0.051 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC000662965134 487773921 /nfs/dbraw/zinc/77/39/21/487773921.db2.gz HUOYTPKEDDDQGO-SECBINFHSA-N 2 0 201.314 0.051 20 0 BCADRP Cn1nccc1CC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000383121510 487775319 /nfs/dbraw/zinc/77/53/19/487775319.db2.gz HEXKQOQRTCTXKT-LBPRGKRZSA-N 2 0 236.363 0.940 20 0 BCADRP CC(C)[NH2+]CC(=O)NC1CCC([NH3+])CC1 ZINC000051694899 487779008 /nfs/dbraw/zinc/77/90/08/487779008.db2.gz OFGIRILIZDIYMO-UHFFFAOYSA-N 2 0 213.325 0.371 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000659521501 487783258 /nfs/dbraw/zinc/78/32/58/487783258.db2.gz UIUPKGGGDSBCOQ-UHFFFAOYSA-N 2 0 216.329 0.102 20 0 BCADRP C[NH+](C)CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335451237 487795301 /nfs/dbraw/zinc/79/53/01/487795301.db2.gz ASYDPNCSXOLJJF-GFCCVEGCSA-N 2 0 225.336 0.150 20 0 BCADRP CC[C@@H]1C[N@H+](CC(C)(C)O)CC[C@H]1[NH3+] ZINC000251748085 487795358 /nfs/dbraw/zinc/79/53/58/487795358.db2.gz LFIGQKAEVHRCRO-NXEZZACHSA-N 2 0 200.326 0.817 20 0 BCADRP C[NH+](C)C1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000668477703 487804018 /nfs/dbraw/zinc/80/40/18/487804018.db2.gz KLEVCULSUGZJJP-UHFFFAOYSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH+](C)CCC1CC[NH+](CCC[NH3+])CC1 ZINC000414696815 487818109 /nfs/dbraw/zinc/81/81/09/487818109.db2.gz WCSAMZMGWAKRRD-UHFFFAOYSA-N 3 0 213.369 0.999 20 0 BCADRP CC(C)(C)CNC(=O)C(C)(C)[NH2+]CCC[NH3+] ZINC000414709180 487818824 /nfs/dbraw/zinc/81/88/24/487818824.db2.gz OUPYWEGSCVALHN-UHFFFAOYSA-N 2 0 229.368 0.866 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000569019231 322942964 /nfs/dbraw/zinc/94/29/64/322942964.db2.gz HWFRXKOSKSQLJQ-NSHDSACASA-N 2 0 225.336 0.339 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000156525416 487832790 /nfs/dbraw/zinc/83/27/90/487832790.db2.gz AJEDMYYOKZYEPU-OUAUKWLOSA-N 2 0 227.352 0.522 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000834829879 587768337 /nfs/dbraw/zinc/76/83/37/587768337.db2.gz FLSBMGOFVUNHOW-QMMMGPOBSA-N 2 0 237.294 0.604 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NCC1=CC[NH2+]CC1 ZINC000659536117 487838958 /nfs/dbraw/zinc/83/89/58/487838958.db2.gz ZYRFFYPIAVIGMG-UHFFFAOYSA-N 2 0 240.351 0.285 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000852894825 588711946 /nfs/dbraw/zinc/71/19/46/588711946.db2.gz PBEUPVSGWUVFGR-MGCOHNPYSA-N 2 0 213.325 0.359 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000659538544 487848195 /nfs/dbraw/zinc/84/81/95/487848195.db2.gz OITJKQIUGPKDBG-VHSXEESVSA-N 2 0 242.367 0.635 20 0 BCADRP [NH3+]CCC[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000666652665 487851585 /nfs/dbraw/zinc/85/15/85/487851585.db2.gz OWWMQZCIVHWEOQ-CYBMUJFWSA-N 2 0 220.316 0.759 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000089747945 487851787 /nfs/dbraw/zinc/85/17/87/487851787.db2.gz OIZXCGDLWPIHQK-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CCCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594873980 487852738 /nfs/dbraw/zinc/85/27/38/487852738.db2.gz YIERJSQPLOCCGB-VHSXEESVSA-N 2 0 211.309 0.030 20 0 BCADRP CC[C@@H]1CN(C(=O)C[NH+](C)C)CC[C@H]1[NH3+] ZINC000167999371 487854988 /nfs/dbraw/zinc/85/49/88/487854988.db2.gz KTHCOPCXNRWLII-NXEZZACHSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H]([NH3+])CCNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000373091464 487859270 /nfs/dbraw/zinc/85/92/70/487859270.db2.gz VDYJAINZTACYKM-SNVBAGLBSA-N 2 0 247.342 0.336 20 0 BCADRP C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000666770734 487876641 /nfs/dbraw/zinc/87/66/41/487876641.db2.gz UKGVRBAAEWPFDI-NEPJUHHUSA-N 2 0 211.353 0.860 20 0 BCADRP C(N[C@H]1CCC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000666770737 487876904 /nfs/dbraw/zinc/87/69/04/487876904.db2.gz UKGVRBAAEWPFDI-NWDGAFQWSA-N 2 0 211.353 0.860 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)C(F)F ZINC000569574692 322971035 /nfs/dbraw/zinc/97/10/35/322971035.db2.gz OJYBESFQKGRJRJ-YUMQZZPRSA-N 2 0 235.278 0.213 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652206740 487879639 /nfs/dbraw/zinc/87/96/39/487879639.db2.gz RHDHHFCVBPTQFL-SNVBAGLBSA-N 2 0 242.367 0.398 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652225173 487883826 /nfs/dbraw/zinc/88/38/26/487883826.db2.gz SBDAOGGMVCPTSY-NXEZZACHSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652220533 487884940 /nfs/dbraw/zinc/88/49/40/487884940.db2.gz CLCQNTROEJFYHY-IUCAKERBSA-N 2 0 228.340 0.150 20 0 BCADRP CC(C)(C)[NH2+]CCNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947768 487889461 /nfs/dbraw/zinc/88/94/61/487889461.db2.gz GTLDQTNPHAELSE-UWVGGRQHSA-N 2 0 217.332 0.664 20 0 BCADRP C[C@@H](C[C@@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947961 487889919 /nfs/dbraw/zinc/88/99/19/487889919.db2.gz LXXHNWIAOJLKIU-BJDJZHNGSA-N 2 0 229.343 0.807 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C)CC[NH2+]C ZINC000449373044 487892679 /nfs/dbraw/zinc/89/26/79/487892679.db2.gz BCMSAKXMBNQWIL-SECBINFHSA-N 2 0 201.314 0.052 20 0 BCADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)CCN1C ZINC000652257670 487893444 /nfs/dbraw/zinc/89/34/44/487893444.db2.gz ZLSMRIMDKKTLFK-DBIOUOCHSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655516259 487897420 /nfs/dbraw/zinc/89/74/20/487897420.db2.gz QVSAXWDXUXLMSW-RITPCOANSA-N 2 0 227.230 0.120 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC[NH+]1CCCCCC1 ZINC000092135543 487898576 /nfs/dbraw/zinc/89/85/76/487898576.db2.gz GTBFJFYPIUFMAF-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP CC[N@H+](CC(=O)N[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000676718980 487905280 /nfs/dbraw/zinc/90/52/80/487905280.db2.gz FXBNPWPPPYZNOV-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH2+]CCNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000418322499 487913295 /nfs/dbraw/zinc/91/32/95/487913295.db2.gz FRMQQJPWYUQRHA-UHFFFAOYSA-N 2 0 242.367 0.332 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157782122 487920580 /nfs/dbraw/zinc/92/05/80/487920580.db2.gz SODDOZGTULRSPL-HBNTYKKESA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000309403662 487920760 /nfs/dbraw/zinc/92/07/60/487920760.db2.gz HTVVDRJCURULCN-NGZCFLSTSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000309403660 487921248 /nfs/dbraw/zinc/92/12/48/487921248.db2.gz HTVVDRJCURULCN-IQJOONFLSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000194871151 487921989 /nfs/dbraw/zinc/92/19/89/487921989.db2.gz HRUKCZFDLUWMPE-CABZTGNLSA-N 2 0 233.315 0.164 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@H]([NH3+])C1 ZINC000417295603 487923508 /nfs/dbraw/zinc/92/35/08/487923508.db2.gz FIOYOWVHPGZOAK-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)NCCC[NH2+]C ZINC000417298763 487923540 /nfs/dbraw/zinc/92/35/40/487923540.db2.gz LNZYSRIVWSDTME-NSHDSACASA-N 2 0 244.383 0.625 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC(C)(C)C[NH3+] ZINC000417294524 487923730 /nfs/dbraw/zinc/92/37/30/487923730.db2.gz CDRNYXYMRDWOIK-SNVBAGLBSA-N 2 0 244.383 0.753 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](C)C1 ZINC000652335872 487924690 /nfs/dbraw/zinc/92/46/90/487924690.db2.gz MXKXLARGEDZUMG-WDEREUQCSA-N 2 0 200.326 0.689 20 0 BCADRP CO[C@]1(C[NH2+]CCC[NH+](C)C)CCOC1 ZINC000125779105 487927590 /nfs/dbraw/zinc/92/75/90/487927590.db2.gz QIQOVIHDPIOJMZ-NSHDSACASA-N 2 0 216.325 0.333 20 0 BCADRP COCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652361399 487931921 /nfs/dbraw/zinc/93/19/21/487931921.db2.gz GNSAYYXQMDCZTH-JHJVBQTASA-N 2 0 242.363 0.994 20 0 BCADRP [NH3+]CCN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652364133 487933224 /nfs/dbraw/zinc/93/32/24/487933224.db2.gz ZBIBWFNUHDGDTP-UTUOFQBUSA-N 3 0 227.352 0.306 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](C)[NH3+] ZINC000669474604 487937148 /nfs/dbraw/zinc/93/71/48/487937148.db2.gz ICEMYSMQWJPPKY-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP CC[N@@H+]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C[C@@H]1C ZINC000677172012 487951634 /nfs/dbraw/zinc/95/16/34/487951634.db2.gz CGTNREVLCZKWIM-RYUDHWBXSA-N 2 0 239.363 0.491 20 0 BCADRP CN(C)C1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000667182329 487954833 /nfs/dbraw/zinc/95/48/33/487954833.db2.gz ZSXNBIQUDPZATB-SNVBAGLBSA-N 2 0 237.347 0.434 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH2+]C2(C)C)CC[NH2+]1 ZINC000569607697 322972708 /nfs/dbraw/zinc/97/27/08/322972708.db2.gz RVLJKYAVTKBVHZ-GARJFASQSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000564947249 322976803 /nfs/dbraw/zinc/97/68/03/322976803.db2.gz DOAQKNDANMBDHP-ZJUUUORDSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000566253065 322979974 /nfs/dbraw/zinc/97/99/74/322979974.db2.gz YGLIDZXBQLIJKX-VWYCJHECSA-N 2 0 225.336 0.385 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000565003869 322994436 /nfs/dbraw/zinc/99/44/36/322994436.db2.gz LNCYBWQWHOUDEJ-LPEHRKFASA-N 2 0 215.341 0.617 20 0 BCADRP CC(C)COC[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000566481884 323001243 /nfs/dbraw/zinc/00/12/43/323001243.db2.gz HNGTUVKRBQICQA-YNEHKIRRSA-N 2 0 244.379 0.879 20 0 BCADRP C[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[C@H]1[NH3+] ZINC000564726332 323010246 /nfs/dbraw/zinc/01/02/46/323010246.db2.gz PHMPWIKVZVLSBB-GXFFZTMASA-N 2 0 247.342 0.955 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CC[NH2+]C1CC1 ZINC000564737567 323015311 /nfs/dbraw/zinc/01/53/11/323015311.db2.gz JUGNBIZJDFMWKJ-WPRPVWTQSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000562805379 323030944 /nfs/dbraw/zinc/03/09/44/323030944.db2.gz OGFCSGRCTBVYJH-GHMZBOCLSA-N 2 0 239.363 0.762 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000562805308 323030960 /nfs/dbraw/zinc/03/09/60/323030960.db2.gz GQVABUKVVWVSPR-QWRGUYRKSA-N 2 0 229.368 0.864 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000562808902 323031123 /nfs/dbraw/zinc/03/11/23/323031123.db2.gz WLNBWYRPWKKGAL-ZJUUUORDSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000562809419 323031270 /nfs/dbraw/zinc/03/12/70/323031270.db2.gz USVXTRRCUVQZMD-HTQZYQBOSA-N 2 0 201.314 0.213 20 0 BCADRP C[NH2+]CCC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404940971 323032004 /nfs/dbraw/zinc/03/20/04/323032004.db2.gz DYMXEEHVLRAGMS-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000567669355 323035306 /nfs/dbraw/zinc/03/53/06/323035306.db2.gz AHDUHSSPPVERLS-FOGDFJRCSA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000569676909 323036582 /nfs/dbraw/zinc/03/65/82/323036582.db2.gz LOWUMPTZVVQZEC-MDZLAQPJSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C1CC[NH2+]CC1 ZINC000569848132 323042489 /nfs/dbraw/zinc/04/24/89/323042489.db2.gz RZSLIPJJHBEGDH-FOGDFJRCSA-N 2 0 239.363 0.489 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000569967833 323045944 /nfs/dbraw/zinc/04/59/44/323045944.db2.gz XUOBQJSLRPTLLW-GHMZBOCLSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000569970144 323046153 /nfs/dbraw/zinc/04/61/53/323046153.db2.gz UBUFMGKLCMCDEY-BLFANLJRSA-N 2 0 237.347 0.100 20 0 BCADRP CCC[N@@H+]1CC[C@H](C[NH2+]CCC(N)=O)C1 ZINC000570037685 323047833 /nfs/dbraw/zinc/04/78/33/323047833.db2.gz VOCYBUZDYGAHAW-SNVBAGLBSA-N 2 0 213.325 0.183 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2CC[NH+]3CCC2CC3)co1 ZINC000570089553 323049440 /nfs/dbraw/zinc/04/94/40/323049440.db2.gz RXTNFSZOJSIQAB-UHFFFAOYSA-N 2 0 249.314 0.659 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000570094113 323049656 /nfs/dbraw/zinc/04/96/56/323049656.db2.gz CEFKUWPQATZCCS-NXEZZACHSA-N 2 0 211.309 0.077 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)CN)C1 ZINC000570171728 323051914 /nfs/dbraw/zinc/05/19/14/323051914.db2.gz JIKMAXHNMBTBQX-VIFPVBQESA-N 2 0 249.305 0.429 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]([NH3+])CC(F)F ZINC000570214728 323052917 /nfs/dbraw/zinc/05/29/17/323052917.db2.gz BNFIPEGXUHKAIK-RRKCRQDMSA-N 2 0 223.267 0.211 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000570210744 323053024 /nfs/dbraw/zinc/05/30/24/323053024.db2.gz TVCPFSFUYRVQCB-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)CC1(C[NH3+])CC1 ZINC000570215559 323053391 /nfs/dbraw/zinc/05/33/91/323053391.db2.gz IXBAGESASKTBDI-RKDXNWHRSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)CC1(C[NH3+])CC1 ZINC000570215556 323053486 /nfs/dbraw/zinc/05/34/86/323053486.db2.gz IXBAGESASKTBDI-BDAKNGLRSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000570334708 323056270 /nfs/dbraw/zinc/05/62/70/323056270.db2.gz WROYSJMTZCYKNE-GVXVVHGQSA-N 2 0 249.358 0.971 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CCCC[NH3+] ZINC000570516268 323061508 /nfs/dbraw/zinc/06/15/08/323061508.db2.gz SUBYWAYVQWGHDA-WDEREUQCSA-N 2 0 227.352 0.844 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000570667424 323066563 /nfs/dbraw/zinc/06/65/63/323066563.db2.gz NQOJLRUOZDXSAU-GMTAPVOTSA-N 2 0 242.367 0.458 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@H](CC[NH3+])C(F)F ZINC000570682074 323066996 /nfs/dbraw/zinc/06/69/96/323066996.db2.gz RKONEWQLRSFAFF-ZCFIWIBFSA-N 2 0 223.267 0.070 20 0 BCADRP COCC[N@H+](C)CCC[NH2+]CC1(O)CCCC1 ZINC000570710251 323068152 /nfs/dbraw/zinc/06/81/52/323068152.db2.gz PPTQCWZPXFUHBU-UHFFFAOYSA-N 2 0 244.379 0.849 20 0 BCADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)C)C1 ZINC000570820709 323071690 /nfs/dbraw/zinc/07/16/90/323071690.db2.gz UWFCPRARMPBWCR-SNVBAGLBSA-N 2 0 213.325 0.006 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)C[C@@H]2COCC[NH2+]2)cc1 ZINC000562972261 323077610 /nfs/dbraw/zinc/07/76/10/323077610.db2.gz MWPIYYLHADKLPT-GFCCVEGCSA-N 2 0 249.314 0.462 20 0 BCADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H]1CC[NH2+]1 ZINC000562981256 323077830 /nfs/dbraw/zinc/07/78/30/323077830.db2.gz XRUPKKHYWKEZSB-YNEHKIRRSA-N 2 0 245.326 0.220 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973562 323088808 /nfs/dbraw/zinc/08/88/08/323088808.db2.gz HVARXZHIGQUUED-VXGBXAGGSA-N 2 0 239.363 0.811 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000563086899 323090604 /nfs/dbraw/zinc/09/06/04/323090604.db2.gz VBZYPGDHYVAGJH-TUAOUCFPSA-N 2 0 239.363 0.395 20 0 BCADRP [NH3+][C@H](CC(=O)N1CC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000563101872 323092447 /nfs/dbraw/zinc/09/24/47/323092447.db2.gz QZOFVCXROJCQQW-STQMWFEESA-N 2 0 247.342 0.506 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000563107184 323092761 /nfs/dbraw/zinc/09/27/61/323092761.db2.gz AFIMBSKEGWIFSK-JFGNBEQYSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@H](C[NH3+])NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000563109779 323092847 /nfs/dbraw/zinc/09/28/47/323092847.db2.gz USXVPBNSZZIEQU-QZWZXBRZSA-N 2 0 239.363 0.603 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000563110616 323092946 /nfs/dbraw/zinc/09/29/46/323092946.db2.gz ICDTZZIMNXASGK-GWCFXTLKSA-N 2 0 247.342 0.955 20 0 BCADRP COCCOCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563150085 323095609 /nfs/dbraw/zinc/09/56/09/323095609.db2.gz JGRDJYQBBUELCT-ZDUSSCGKSA-N 2 0 242.363 0.725 20 0 BCADRP C[C@H](C[NH3+])NC(=O)c1ccccc1C[NH+](C)C ZINC000563159161 323097012 /nfs/dbraw/zinc/09/70/12/323097012.db2.gz KCWOAMYUPPUIRU-SNVBAGLBSA-N 2 0 235.331 0.825 20 0 BCADRP CC1(C)CN(C(=O)c2c[nH+]ccc2N)CC[NH2+]1 ZINC000563160458 323097440 /nfs/dbraw/zinc/09/74/40/323097440.db2.gz NOKOEXYGVBOIAO-UHFFFAOYSA-N 2 0 234.303 0.318 20 0 BCADRP [NH3+]CCCC(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000563160557 323097443 /nfs/dbraw/zinc/09/74/43/323097443.db2.gz KNPWGBOKPGLCGP-SNVBAGLBSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000563171287 323099840 /nfs/dbraw/zinc/09/98/40/323099840.db2.gz ZFVQBSUWMSKATQ-GUBZILKMSA-N 2 0 213.325 0.371 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000571046505 323105226 /nfs/dbraw/zinc/10/52/26/323105226.db2.gz KXHNRIQHTMQJJC-GUBZILKMSA-N 2 0 211.309 0.077 20 0 BCADRP CCS(=O)(=O)CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000563424358 323124182 /nfs/dbraw/zinc/12/41/82/323124182.db2.gz LRGMJKBGQHEWBL-QWRGUYRKSA-N 2 0 248.392 0.671 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000563451615 323126522 /nfs/dbraw/zinc/12/65/22/323126522.db2.gz NTWWFCQHGWLFSY-MNOVXSKESA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000563588800 323130652 /nfs/dbraw/zinc/13/06/52/323130652.db2.gz ZFWREUCJQBAGOH-YNEHKIRRSA-N 2 0 247.342 0.677 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000563622985 323132156 /nfs/dbraw/zinc/13/21/56/323132156.db2.gz IHNOWMBEZRCVLN-LSJOCFKGSA-N 2 0 225.336 0.310 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1C[C@@H](C)OC(C)(C)C1 ZINC000310493694 323132437 /nfs/dbraw/zinc/13/24/37/323132437.db2.gz GLTXVZWKRXZJPZ-VXGBXAGGSA-N 2 0 244.379 0.798 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC000571081957 323135018 /nfs/dbraw/zinc/13/50/18/323135018.db2.gz RYNQPDUQCIKHMI-BJDJZHNGSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000571178897 323137201 /nfs/dbraw/zinc/13/72/01/323137201.db2.gz SLZLRSBBKHFGGD-OUAUKWLOSA-N 2 0 223.324 0.526 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000571168046 323137393 /nfs/dbraw/zinc/13/73/93/323137393.db2.gz YLDQMFCIBFEAJX-NSHDSACASA-N 2 0 221.304 0.499 20 0 BCADRP CN(C(=O)NCC[C@H]1CCC[NH2+]1)C1CC([NH3+])C1 ZINC000571269149 323139677 /nfs/dbraw/zinc/13/96/77/323139677.db2.gz YSYDYFFQFAMZOA-HSOILSAZSA-N 2 0 240.351 0.260 20 0 BCADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000571282685 323140212 /nfs/dbraw/zinc/14/02/12/323140212.db2.gz RXRWLOAMHXTMBB-OWTLIXCDSA-N 2 0 249.358 0.339 20 0 BCADRP [NH3+]CCCCC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000571283701 323140222 /nfs/dbraw/zinc/14/02/22/323140222.db2.gz YECQNCGREBKAGT-ZETCQYMHSA-N 2 0 241.257 0.511 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@H](C)[NH2+]C)CC1 ZINC000571461263 323145361 /nfs/dbraw/zinc/14/53/61/323145361.db2.gz HLYSMQIDGSSFMX-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP COC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)C1CC1 ZINC000397273923 323150429 /nfs/dbraw/zinc/15/04/29/323150429.db2.gz YLFRDVIUZNJZOD-JLLWLGSASA-N 2 0 212.337 0.999 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000571645505 323150752 /nfs/dbraw/zinc/15/07/52/323150752.db2.gz RGKPKEUNBGBSTD-GARJFASQSA-N 2 0 237.347 0.324 20 0 BCADRP CC[C@@H](C(=O)NCC[N@@H+]1CC[C@H](C)C1)[NH+](C)C ZINC000531959096 323157913 /nfs/dbraw/zinc/15/79/13/323157913.db2.gz OWWZPLGVRJUMPL-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)C[NH+](C)C ZINC000308597697 323176157 /nfs/dbraw/zinc/17/61/57/323176157.db2.gz ZPQBGGVGGALTMN-SECBINFHSA-N 2 0 201.314 0.182 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000563811389 323178673 /nfs/dbraw/zinc/17/86/73/323178673.db2.gz BOOYGPSAKDMQHZ-UWVGGRQHSA-N 2 0 213.325 0.276 20 0 BCADRP CC[N@H+](CC(=O)NCCCC[NH+](C)C)C1CC1 ZINC000442710578 323180317 /nfs/dbraw/zinc/18/03/17/323180317.db2.gz QHXGAPRTNQKLAB-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000308976551 323183080 /nfs/dbraw/zinc/18/30/80/323183080.db2.gz GTUYSUUHKNRYKI-VGMNWLOBSA-N 2 0 201.314 0.213 20 0 BCADRP CCO[C@H]1C[C@@](N)(c2nc(CN)no2)C1(C)C ZINC000563885603 323183280 /nfs/dbraw/zinc/18/32/80/323183280.db2.gz DLWAUWLSJODDSR-WRWORJQWSA-N 2 0 240.307 0.517 20 0 BCADRP C[C@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)C1C[NH2+]C1 ZINC000563885584 323183327 /nfs/dbraw/zinc/18/33/27/323183327.db2.gz CBUOGQMLOFKBIQ-CABZTGNLSA-N 2 0 239.363 0.476 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)C[NH3+] ZINC000518941718 323188927 /nfs/dbraw/zinc/18/89/27/323188927.db2.gz YVXCZLCFZFHUOT-ZJUUUORDSA-N 2 0 228.340 0.069 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)[C@@H](C)C[N@@H+]1C ZINC000535824951 323192579 /nfs/dbraw/zinc/19/25/79/323192579.db2.gz RCCSDGMZGLJANH-WOPDTQHZSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H](CNC(=O)C1(C)C[NH2+]C1)[NH+]1CCCC1 ZINC000399232524 323200988 /nfs/dbraw/zinc/20/09/88/323200988.db2.gz GJZDPSPBYKBBSJ-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399250361 323201835 /nfs/dbraw/zinc/20/18/35/323201835.db2.gz XNFAGIOIFWAUOR-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)CC[NH2+]C1CC1 ZINC000563897065 323205472 /nfs/dbraw/zinc/20/54/72/323205472.db2.gz LKLFTXJIZWFXPR-LBPRGKRZSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2COCCN2)CC1 ZINC000530182710 323205725 /nfs/dbraw/zinc/20/57/25/323205725.db2.gz YHFPPHBBNVKZHG-CYBMUJFWSA-N 2 0 241.379 0.437 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COCCN2)[C@H](C)C1 ZINC000530226752 323219496 /nfs/dbraw/zinc/21/94/96/323219496.db2.gz YJPXLLTZNBGHFW-UPJWGTAASA-N 2 0 241.379 0.295 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000563959059 323331756 /nfs/dbraw/zinc/33/17/56/323331756.db2.gz CMEVJUHTPNGXKX-YPMHNXCESA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000563958837 323331838 /nfs/dbraw/zinc/33/18/38/323331838.db2.gz CMEVJUHTPNGXKX-AAEUAGOBSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C1CC[NH2+]CC1 ZINC000309285308 323340396 /nfs/dbraw/zinc/34/03/96/323340396.db2.gz OJPKUTOEMUUIJC-SNVBAGLBSA-N 2 0 213.325 0.086 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CCO)C(C)C ZINC000309294459 323341267 /nfs/dbraw/zinc/34/12/67/323341267.db2.gz WRNRAYAHMTWOBV-VXGBXAGGSA-N 2 0 232.368 0.296 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000571679588 323344148 /nfs/dbraw/zinc/34/41/48/323344148.db2.gz NZJNVJUMYONJQE-OUAUKWLOSA-N 2 0 227.352 0.285 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000309401562 323380588 /nfs/dbraw/zinc/38/05/88/323380588.db2.gz HKYJNQMILAJGFH-MWLCHTKSSA-N 2 0 215.341 0.603 20 0 BCADRP C[C@@H](C(=O)NCC[C@H]1CCC[NH2+]1)[C@H](C)[NH3+] ZINC000309493181 323417229 /nfs/dbraw/zinc/41/72/29/323417229.db2.gz SQNWTOWUTTXISF-KXUCPTDWSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]CC1(CC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000564075798 323425566 /nfs/dbraw/zinc/42/55/66/323425566.db2.gz TUPZCIFNPJBRHG-MNOVXSKESA-N 2 0 239.363 0.749 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)CCC[NH3+] ZINC000041680141 487958890 /nfs/dbraw/zinc/95/88/90/487958890.db2.gz LLRHWQISPMMZRM-SNVBAGLBSA-N 2 0 215.341 0.572 20 0 BCADRP CC(C)([NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000083887481 487958273 /nfs/dbraw/zinc/95/82/73/487958273.db2.gz COCIWAYGJBHFTD-UHFFFAOYSA-N 2 0 211.309 0.102 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000571984635 323517212 /nfs/dbraw/zinc/51/72/12/323517212.db2.gz CKHMBAIALOVPQS-GWOFURMSSA-N 2 0 225.336 0.193 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000572122230 323543362 /nfs/dbraw/zinc/54/33/62/323543362.db2.gz WKRGGXWKJYIHDQ-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH+](C)CCCCNC(=O)CCC[NH3+] ZINC000041679601 487959154 /nfs/dbraw/zinc/95/91/54/487959154.db2.gz ANHVEEFSPLAIIX-UHFFFAOYSA-N 2 0 201.314 0.183 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H](C)C[NH2+]C ZINC000086068555 324117818 /nfs/dbraw/zinc/11/78/18/324117818.db2.gz LARHSTXQGVKLJJ-LLVKDONJSA-N 2 0 229.368 0.642 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)CC[NH2+]C1CC1 ZINC000572496616 324133415 /nfs/dbraw/zinc/13/34/15/324133415.db2.gz QOCUBZZKCKDBHJ-SNVBAGLBSA-N 2 0 227.352 0.762 20 0 BCADRP COCCOC[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000572497113 324134185 /nfs/dbraw/zinc/13/41/85/324134185.db2.gz BZAZYVOBCBQIMJ-SDDRHHMPSA-N 2 0 230.352 0.897 20 0 BCADRP COCCOCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397338434 324213140 /nfs/dbraw/zinc/21/31/40/324213140.db2.gz ZEDIGUHTEZIZBC-AVGNSLFASA-N 2 0 244.379 0.955 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@H](C)CC[NH3+] ZINC000529337830 324275902 /nfs/dbraw/zinc/27/59/02/324275902.db2.gz QBEKSLFMINTGSN-GHMZBOCLSA-N 2 0 242.367 0.363 20 0 BCADRP C[C@@H](NC(=O)N[C@H]1CC[NH2+]C12CCC2)[C@H](C)[NH3+] ZINC000529340270 324276928 /nfs/dbraw/zinc/27/69/28/324276928.db2.gz RZZPKCRNORGVTM-AEJSXWLSSA-N 2 0 240.351 0.306 20 0 BCADRP CCn1nncc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000530212683 324529443 /nfs/dbraw/zinc/52/94/43/324529443.db2.gz SPSXSYSWQZWKBH-CMPLNLGQSA-N 2 0 237.351 0.905 20 0 BCADRP [NH3+]CCC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000083913245 487964671 /nfs/dbraw/zinc/96/46/71/487964671.db2.gz QXJFTMWBRFWATI-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000130701385 325081348 /nfs/dbraw/zinc/08/13/48/325081348.db2.gz DANMYNRTBPDZLK-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000130700980 325081679 /nfs/dbraw/zinc/08/16/79/325081679.db2.gz DANMYNRTBPDZLK-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP CC[N@H+](CC(=O)NCC[NH+](C)C)C1CC1 ZINC000130846161 325093570 /nfs/dbraw/zinc/09/35/70/325093570.db2.gz ICKSYUOZCPOOQL-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)CCC[NH3+] ZINC000131817354 325185143 /nfs/dbraw/zinc/18/51/43/325185143.db2.gz PFUAQGVYJJTVCZ-UHFFFAOYSA-N 2 0 201.314 0.230 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000131924586 325191018 /nfs/dbraw/zinc/19/10/18/325191018.db2.gz LNDHMYNZXRPDNJ-OUAUKWLOSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000131924372 325191036 /nfs/dbraw/zinc/19/10/36/325191036.db2.gz LNDHMYNZXRPDNJ-VWYCJHECSA-N 2 0 225.336 0.372 20 0 BCADRP CCc1nncn1CC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000546677868 325300755 /nfs/dbraw/zinc/30/07/55/325300755.db2.gz PITFYPBHAYVXCP-WDEREUQCSA-N 2 0 237.351 0.380 20 0 BCADRP CCc1nncn1CC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000546677846 325300873 /nfs/dbraw/zinc/30/08/73/325300873.db2.gz PITFYPBHAYVXCP-GHMZBOCLSA-N 2 0 237.351 0.380 20 0 BCADRP C[C@H](CO)[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000135074775 325392146 /nfs/dbraw/zinc/39/21/46/325392146.db2.gz KDHJJDXICLPTGG-DBIOUOCHSA-N 2 0 200.326 0.686 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000553158362 325678772 /nfs/dbraw/zinc/67/87/72/325678772.db2.gz VOOHOUNJPOILOS-RYUDHWBXSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000564567143 325795833 /nfs/dbraw/zinc/79/58/33/325795833.db2.gz LQUPHQPCZVVPIZ-WCABBAIRSA-N 2 0 225.336 0.241 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000564739535 325806576 /nfs/dbraw/zinc/80/65/76/325806576.db2.gz IWQTZQZQRODBQV-CKYFFXLPSA-N 2 0 227.352 0.487 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000564838177 325814593 /nfs/dbraw/zinc/81/45/93/325814593.db2.gz IHEPHEVJWPVGEH-HBNTYKKESA-N 2 0 225.336 0.182 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000564933046 325827949 /nfs/dbraw/zinc/82/79/49/325827949.db2.gz JSCOSKGSAMZZBQ-WOPDTQHZSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000564937496 325829621 /nfs/dbraw/zinc/82/96/21/325829621.db2.gz LWGOCPNJHOIXFA-GARJFASQSA-N 2 0 242.367 0.635 20 0 BCADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000564941271 325830682 /nfs/dbraw/zinc/83/06/82/325830682.db2.gz LRIZZVBIEOEKFB-LLVKDONJSA-N 2 0 225.336 0.149 20 0 BCADRP CC(C)([NH3+])CNC(=O)COC1CCC([NH3+])CC1 ZINC000564944992 325831387 /nfs/dbraw/zinc/83/13/87/325831387.db2.gz AQDBQKXBIZKJHQ-UHFFFAOYSA-N 2 0 243.351 0.126 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@H](C)CCCC[NH3+] ZINC000564988340 325839782 /nfs/dbraw/zinc/83/97/82/325839782.db2.gz CDUCIWPXWUAHIS-GMTAPVOTSA-N 2 0 216.325 0.507 20 0 BCADRP C[C@H]1CN(Cc2nc(C(C)(C)[NH3+])no2)CC[NH2+]1 ZINC000564988553 325841066 /nfs/dbraw/zinc/84/10/66/325841066.db2.gz BXVXKDZNRPEIEG-QMMMGPOBSA-N 2 0 239.323 0.057 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@H]1CCCC[NH2+]1 ZINC000564995701 325843209 /nfs/dbraw/zinc/84/32/09/325843209.db2.gz ONOJVSOAPALZGP-VHSXEESVSA-N 2 0 213.325 0.372 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000565302091 325893806 /nfs/dbraw/zinc/89/38/06/325893806.db2.gz AZMBHACZJBWVJG-NSHDSACASA-N 2 0 239.363 0.492 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000565597567 325932308 /nfs/dbraw/zinc/93/23/08/325932308.db2.gz RILBGXUKPISOTH-GHMZBOCLSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2c[nH+]ccc2N)C1 ZINC000566010520 325983621 /nfs/dbraw/zinc/98/36/21/325983621.db2.gz DKHSBOUJGKMZMY-UWVGGRQHSA-N 2 0 248.330 0.694 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N)C1 ZINC000566010521 325983709 /nfs/dbraw/zinc/98/37/09/325983709.db2.gz DKHSBOUJGKMZMY-VHSXEESVSA-N 2 0 248.330 0.694 20 0 BCADRP CC(C)[C@H]1CN(C(=O)CCC[NH3+])CC[NH2+]1 ZINC000309465414 487971430 /nfs/dbraw/zinc/97/14/30/487971430.db2.gz PTQQFGBYIGEBRU-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH+](C)CC1CCC(NC(=O)CC[NH3+])CC1 ZINC000566190932 326009272 /nfs/dbraw/zinc/00/92/72/326009272.db2.gz VVSJTQSIYJXWTM-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000566201679 326011736 /nfs/dbraw/zinc/01/17/36/326011736.db2.gz UPZOBXYLSQHRCE-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000566200923 326011963 /nfs/dbraw/zinc/01/19/63/326011963.db2.gz KLGKOAJXDZQGJD-AXFHLTTASA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000566200463 326011995 /nfs/dbraw/zinc/01/19/95/326011995.db2.gz WGVXFYTVSMJUBL-DTWKUNHWSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000566204646 326012420 /nfs/dbraw/zinc/01/24/20/326012420.db2.gz XXDMOEGGONZVDU-HBNTYKKESA-N 2 0 225.336 0.100 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000566206057 326013041 /nfs/dbraw/zinc/01/30/41/326013041.db2.gz MDHGRDMRDRSPJC-QWRGUYRKSA-N 2 0 227.352 0.631 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000566206121 326013153 /nfs/dbraw/zinc/01/31/53/326013153.db2.gz OXIHXWJSOWLDSD-NAKRPEOUSA-N 2 0 227.352 0.617 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000566206124 326013222 /nfs/dbraw/zinc/01/32/22/326013222.db2.gz OXIHXWJSOWLDSD-ZDCRXTMVSA-N 2 0 227.352 0.617 20 0 BCADRP O=C1NCC[C@@H]1[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000566245125 326021675 /nfs/dbraw/zinc/02/16/75/326021675.db2.gz DGSXYOYPMUGNKE-TUAOUCFPSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000566244584 326022338 /nfs/dbraw/zinc/02/23/38/326022338.db2.gz YZHLWYIYQWFAHU-YUMQZZPRSA-N 2 0 235.278 0.179 20 0 BCADRP C[C@]1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CCC[NH2+]1 ZINC000566252269 326024610 /nfs/dbraw/zinc/02/46/10/326024610.db2.gz VNGAFSRCYQQOOA-GMXVVIOVSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000566296193 326030190 /nfs/dbraw/zinc/03/01/90/326030190.db2.gz WECZVTNXBORGAT-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000566302737 326031360 /nfs/dbraw/zinc/03/13/60/326031360.db2.gz QQEMBHKHXQPLBE-JTQLQIEISA-N 2 0 208.309 0.938 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)CC[NH2+]C1CC1 ZINC000566469174 326052543 /nfs/dbraw/zinc/05/25/43/326052543.db2.gz BSCWPTSJXZVEIA-LBPRGKRZSA-N 2 0 239.363 0.858 20 0 BCADRP [NH3+][C@H]1CCC[C@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000566470892 326052579 /nfs/dbraw/zinc/05/25/79/326052579.db2.gz MBORMSQUITXITQ-QWRGUYRKSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000566560208 326064165 /nfs/dbraw/zinc/06/41/65/326064165.db2.gz KXVDBDJPGUPYMG-DGCLKSJQSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566562639 326064747 /nfs/dbraw/zinc/06/47/47/326064747.db2.gz UKMBMQKWAUPARI-UKKRHICBSA-N 2 0 227.352 0.746 20 0 BCADRP C[NH2+][C@@H](C)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000566572794 326065928 /nfs/dbraw/zinc/06/59/28/326065928.db2.gz WBMHDLOWXWOXSA-VIFPVBQESA-N 2 0 237.303 0.571 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CO)[C@H]2CCCOC2)C1 ZINC000566688860 326074846 /nfs/dbraw/zinc/07/48/46/326074846.db2.gz JWMZGKCNGVNTQX-QNWHQSFQSA-N 2 0 242.363 0.633 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000566845292 326087140 /nfs/dbraw/zinc/08/71/40/326087140.db2.gz HTPKXTYQJGJYJO-AEJSXWLSSA-N 2 0 225.336 0.241 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)NCCNc1cc[nH+]cc1 ZINC000566852974 326087811 /nfs/dbraw/zinc/08/78/11/326087811.db2.gz SNKRGRBVDRDZPE-LBPRGKRZSA-N 2 0 248.330 0.174 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000566854546 326088449 /nfs/dbraw/zinc/08/84/49/326088449.db2.gz XWCABUDVSCRFIS-CMPLNLGQSA-N 2 0 235.331 0.582 20 0 BCADRP C[C@@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)CCC[NH2+]C1 ZINC000566855442 326088314 /nfs/dbraw/zinc/08/83/14/326088314.db2.gz DTFMQJXSCCRVTD-WCQYABFASA-N 2 0 239.363 0.492 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000566913306 326091423 /nfs/dbraw/zinc/09/14/23/326091423.db2.gz XILVMSGSBLFKOY-ZJUUUORDSA-N 2 0 244.383 0.929 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000566913069 326093416 /nfs/dbraw/zinc/09/34/16/326093416.db2.gz PKVSANCNXFNQLS-UMNHJUIQSA-N 2 0 237.347 0.337 20 0 BCADRP C[NH2+]C[C@](C)(O)C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000566918037 326093886 /nfs/dbraw/zinc/09/38/86/326093886.db2.gz DQOHWYQDWFGZMT-DCAQKATOSA-N 2 0 200.326 0.545 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000567031210 326103885 /nfs/dbraw/zinc/10/38/85/326103885.db2.gz OVOIBZDKYTWORG-CSYMLDBXSA-N 2 0 239.363 0.487 20 0 BCADRP CC[NH+]1CCC(C[NH2+][C@@H](C)CC(=O)NC)CC1 ZINC000567208565 326136423 /nfs/dbraw/zinc/13/64/23/326136423.db2.gz DLJMFCOKWXWRFI-NSHDSACASA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1C[C@@H](NC[C@H](O)C[NH+](C)C)C[N@@H+]1C1CC1 ZINC000154353969 326141039 /nfs/dbraw/zinc/14/10/39/326141039.db2.gz PGVYGTSNTFPTHN-WZRBSPASSA-N 2 0 241.379 0.124 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000309823798 326170371 /nfs/dbraw/zinc/17/03/71/326170371.db2.gz WXGYTVHGTISKSD-IVZWLZJFSA-N 2 0 213.325 0.165 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000567383931 326180675 /nfs/dbraw/zinc/18/06/75/326180675.db2.gz HBLVRGZQKIWHRO-XKNYDFJKSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000567383895 326180733 /nfs/dbraw/zinc/18/07/33/326180733.db2.gz CZEBFVFKXACOFD-MFKMUULPSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000567383898 326180823 /nfs/dbraw/zinc/18/08/23/326180823.db2.gz DHFMWMQJJJXVGG-SECBINFHSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]1 ZINC000567596004 326225097 /nfs/dbraw/zinc/22/50/97/326225097.db2.gz UNQOERRIMQCVTF-MDZLAQPJSA-N 2 0 237.347 0.481 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)CC1(C[NH3+])CC1 ZINC000567669837 326242168 /nfs/dbraw/zinc/24/21/68/326242168.db2.gz PJKHZPOYVQPMII-VHSXEESVSA-N 2 0 225.336 0.311 20 0 BCADRP CC(C)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000567679949 326244052 /nfs/dbraw/zinc/24/40/52/326244052.db2.gz KBPPCZMVJQLWGH-CYBMUJFWSA-N 2 0 243.395 0.230 20 0 BCADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](C)O)CC1 ZINC000567691487 326246167 /nfs/dbraw/zinc/24/61/67/326246167.db2.gz YMMHWCGAOSPSOK-ZDUSSCGKSA-N 2 0 243.395 0.375 20 0 BCADRP NC(=O)CC[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000567696090 326246850 /nfs/dbraw/zinc/24/68/50/326246850.db2.gz PZDCPYGCZVOEEO-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP CN(CC1CCS(=O)(=O)CC1)C1CC([NH3+])C1 ZINC000567735657 326253244 /nfs/dbraw/zinc/25/32/44/326253244.db2.gz OMNJOJGYOBVHCS-UHFFFAOYSA-N 2 0 246.376 0.233 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000567815318 326262013 /nfs/dbraw/zinc/26/20/13/326262013.db2.gz RFHVKGNABFNNHX-YUTCNCBUSA-N 2 0 249.358 0.198 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000567819352 326263159 /nfs/dbraw/zinc/26/31/59/326263159.db2.gz GWVFGGKXDORZLK-MMWGEVLESA-N 2 0 242.367 0.539 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)NCC[C@H]1CC[NH2+]C1 ZINC000567828900 326264880 /nfs/dbraw/zinc/26/48/80/326264880.db2.gz QRJGCKNAHPPMJM-NWDGAFQWSA-N 2 0 239.363 0.492 20 0 BCADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC ZINC000567834427 326266125 /nfs/dbraw/zinc/26/61/25/326266125.db2.gz ZYFJQWWYDSFKPC-UHFFFAOYSA-N 2 0 215.341 0.444 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)[NH3+] ZINC000567837291 326266950 /nfs/dbraw/zinc/26/69/50/326266950.db2.gz PGPKHKMDBMIIQY-WRWGMCAJSA-N 2 0 241.379 0.863 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000567837241 326267033 /nfs/dbraw/zinc/26/70/33/326267033.db2.gz DKGFYKXMEPQLIV-VXGBXAGGSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000567839052 326267938 /nfs/dbraw/zinc/26/79/38/326267938.db2.gz PUWGSBYNXNAMLA-UTUOFQBUSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000567846681 326269167 /nfs/dbraw/zinc/26/91/67/326269167.db2.gz MFABFHBOLOQVCA-DCAQKATOSA-N 2 0 227.352 0.557 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)C(F)F ZINC000567845265 326269175 /nfs/dbraw/zinc/26/91/75/326269175.db2.gz QNJZJZRODZDPQY-SFYZADRCSA-N 2 0 235.278 0.085 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC000567848654 326269798 /nfs/dbraw/zinc/26/97/98/326269798.db2.gz YDBPCFLZGZNUNC-AXFHLTTASA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+]C1(c2noc([C@@H]3C[C@@]34CC[NH2+]C4)n2)CCC1 ZINC000567852549 326270836 /nfs/dbraw/zinc/27/08/36/326270836.db2.gz ODJSROVVWXPQMQ-GZMMTYOYSA-N 2 0 234.303 0.875 20 0 BCADRP CO[C@@H](C[NH3+])Cc1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000567852609 326271222 /nfs/dbraw/zinc/27/12/22/326271222.db2.gz YAXYTYNFVOHQCQ-BDAKNGLRSA-N 2 0 242.323 0.632 20 0 BCADRP [NH3+]CCC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000567870872 326274103 /nfs/dbraw/zinc/27/41/03/326274103.db2.gz UBNZZIRSMWMLDQ-NEPJUHHUSA-N 3 0 227.352 0.163 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000567897192 326278814 /nfs/dbraw/zinc/27/88/14/326278814.db2.gz LGMAUQCFONBEDM-CYBMUJFWSA-N 2 0 245.326 0.724 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C[C@@]1(C)C[NH3+] ZINC000567909471 326281265 /nfs/dbraw/zinc/28/12/65/326281265.db2.gz AMKILLMUOQKCNW-MWGHHZFTSA-N 2 0 225.336 0.167 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000567907874 326281532 /nfs/dbraw/zinc/28/15/32/326281532.db2.gz DGGWBGBMYRMYQO-BDAKNGLRSA-N 2 0 249.305 0.569 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000567925538 326284237 /nfs/dbraw/zinc/28/42/37/326284237.db2.gz OASMBNLCYJVDEP-QEYWKRMJSA-N 2 0 215.341 0.602 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000568231492 326330543 /nfs/dbraw/zinc/33/05/43/326330543.db2.gz VYAZWFIOTBCTMM-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP CO[C@H](C[NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC000568254148 326332253 /nfs/dbraw/zinc/33/22/53/326332253.db2.gz KHEVVDXNTALQSP-SNVBAGLBSA-N 2 0 223.276 0.058 20 0 BCADRP Cc1n[nH]cc1CNC1CC([NH+](C)C)C1 ZINC000568239615 326332952 /nfs/dbraw/zinc/33/29/52/326332952.db2.gz PTOVQZGHDIJUBF-UHFFFAOYSA-N 2 0 208.309 0.900 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568247902 326334423 /nfs/dbraw/zinc/33/44/23/326334423.db2.gz AIWMRGFVJHFQJW-CHWFTXMASA-N 2 0 214.309 0.260 20 0 BCADRP NC(=O)C1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000568249087 326334855 /nfs/dbraw/zinc/33/48/55/326334855.db2.gz HFRTVWCTQKAJBV-GHMZBOCLSA-N 2 0 239.363 0.892 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC(C)(C)CC[NH3+] ZINC000568271939 326338899 /nfs/dbraw/zinc/33/88/99/326338899.db2.gz KKFSISFRZXGZMU-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)C2([NH3+])CCC2)C1 ZINC000568275513 326339681 /nfs/dbraw/zinc/33/96/81/326339681.db2.gz YKNGXDSWSSDRDU-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158918601 326346056 /nfs/dbraw/zinc/34/60/56/326346056.db2.gz XCNSGLJVZNJBTF-GVXVVHGQSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[NH2+]CCC[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000568381410 326351329 /nfs/dbraw/zinc/35/13/29/326351329.db2.gz JQXZRJDUXPJRGX-CHWSQXEVSA-N 2 0 243.395 0.731 20 0 BCADRP C[C@@H]1CN(CC[NH2+]CC2([NH3+])CCC2)CCO1 ZINC000568392640 326353526 /nfs/dbraw/zinc/35/35/26/326353526.db2.gz SCVXJWIWZKAZMA-LLVKDONJSA-N 2 0 227.352 0.178 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000568511488 326361479 /nfs/dbraw/zinc/36/14/79/326361479.db2.gz NJJYJVXSIQVDEY-SECBINFHSA-N 2 0 248.330 0.694 20 0 BCADRP CN(CC[NH3+])CCOC[C@@H]1CCCO1 ZINC000568733234 326373990 /nfs/dbraw/zinc/37/39/90/326373990.db2.gz SFGBGMLLAHLXDS-JTQLQIEISA-N 2 0 202.298 0.073 20 0 BCADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000568629445 326368982 /nfs/dbraw/zinc/36/89/82/326368982.db2.gz FXIWAAZEGGVTSZ-NWDGAFQWSA-N 2 0 249.314 0.067 20 0 BCADRP C[N@H+](CCCC[NH2+]CCC(N)=O)C1CC1 ZINC000569095865 326389623 /nfs/dbraw/zinc/38/96/23/326389623.db2.gz MQEXMKPTTKKAJZ-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000569118139 326391484 /nfs/dbraw/zinc/39/14/84/326391484.db2.gz WTFNPDAUEQQEHQ-VIFPVBQESA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000569215334 326394904 /nfs/dbraw/zinc/39/49/04/326394904.db2.gz YNBWVSPRYXBFAZ-HBNTYKKESA-N 2 0 225.336 0.243 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000569220338 326395634 /nfs/dbraw/zinc/39/56/34/326395634.db2.gz AOTJETKFXYQUTP-JQWIXIFHSA-N 2 0 225.336 0.102 20 0 BCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CCCC[NH3+] ZINC000569248143 326397763 /nfs/dbraw/zinc/39/77/63/326397763.db2.gz HTTNYSAILYMVIN-GFCCVEGCSA-N 2 0 241.379 0.916 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NC1CCC([NH3+])CC1 ZINC000165414600 487979084 /nfs/dbraw/zinc/97/90/84/487979084.db2.gz RGQCVUXESVUJPX-LGUIWLBCSA-N 2 0 213.325 0.356 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000309507445 487979599 /nfs/dbraw/zinc/97/95/99/487979599.db2.gz WISLIDDJIHGNHJ-NSHDSACASA-N 2 0 213.325 0.372 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000446411169 487980861 /nfs/dbraw/zinc/98/08/61/487980861.db2.gz FKNAKYCCKMAQLH-FOGDFJRCSA-N 2 0 227.352 0.890 20 0 BCADRP [NH3+]CCCCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418401444 487991024 /nfs/dbraw/zinc/99/10/24/487991024.db2.gz GNGRVEBKISYMFH-QWRGUYRKSA-N 2 0 242.367 0.542 20 0 BCADRP C[C@]1(C(N)=O)CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000396746124 488002725 /nfs/dbraw/zinc/00/27/25/488002725.db2.gz YTGLBORCILZGCI-JQWIXIFHSA-N 2 0 225.336 0.183 20 0 BCADRP COC[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000053172734 488009096 /nfs/dbraw/zinc/00/90/96/488009096.db2.gz KCOAJKSYNPPNIS-GFCCVEGCSA-N 2 0 243.395 0.637 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)CO ZINC000643475013 488015689 /nfs/dbraw/zinc/01/56/89/488015689.db2.gz OGUSNISNYOGNDR-QWRGUYRKSA-N 2 0 214.353 0.983 20 0 BCADRP C[C@H](CCO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401068741 488025016 /nfs/dbraw/zinc/02/50/16/488025016.db2.gz ZYVTZVDPWMWRMB-DDHJBXDOSA-N 2 0 212.337 0.735 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655442758 488033340 /nfs/dbraw/zinc/03/33/40/488033340.db2.gz ZTTRCSHATAXMQL-DGCLKSJQSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH+](C)CC1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000084182700 488034098 /nfs/dbraw/zinc/03/40/98/488034098.db2.gz DDNVLVYLERVSKN-UHFFFAOYSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H](CNC(=O)CC(C)(C)[NH3+])C[NH+]1CCCC1 ZINC000084186469 488035813 /nfs/dbraw/zinc/03/58/13/488035813.db2.gz USEIXWUQKZKZJG-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655450683 488042505 /nfs/dbraw/zinc/04/25/05/488042505.db2.gz WZAUKADPTNBRKS-GMXVVIOVSA-N 2 0 237.347 0.196 20 0 BCADRP Nc1ncc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)s1 ZINC000563136252 488043977 /nfs/dbraw/zinc/04/39/77/488043977.db2.gz VFXBDOMPDLYURA-YUMQZZPRSA-N 2 0 226.349 0.942 20 0 BCADRP C([NH+]1CCC2(CC[NH2+]C2)CC1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494497 488044133 /nfs/dbraw/zinc/04/41/33/488044133.db2.gz OSZZQSMULGEDRA-OCCSQVGLSA-N 3 0 235.375 0.671 20 0 BCADRP C[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000084382477 488048233 /nfs/dbraw/zinc/04/82/33/488048233.db2.gz CXHWMETXOBSHMS-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000091395024 488049165 /nfs/dbraw/zinc/04/91/65/488049165.db2.gz DCNPULKGRILJTK-LLVKDONJSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669491124 488052309 /nfs/dbraw/zinc/05/23/09/488052309.db2.gz MPZVWGPWMMMPKE-MWLCHTKSSA-N 2 0 240.351 0.117 20 0 BCADRP CN(CC[NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669491112 488052994 /nfs/dbraw/zinc/05/29/94/488052994.db2.gz MHRHXSXMDSIVKQ-LLVKDONJSA-N 2 0 240.351 0.071 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C(F)F)C1 ZINC000236294004 488056469 /nfs/dbraw/zinc/05/64/69/488056469.db2.gz KCYBVTJIHAVQGW-GJMOJQLCSA-N 2 0 208.252 0.472 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044538939 488071075 /nfs/dbraw/zinc/07/10/75/488071075.db2.gz LMFFNJCIYLMOSP-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000515174465 488071614 /nfs/dbraw/zinc/07/16/14/488071614.db2.gz JIAYQAPTJXYZFS-STQMWFEESA-N 3 0 241.379 0.032 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000257670659 488078620 /nfs/dbraw/zinc/07/86/20/488078620.db2.gz GINCEYOXQWEWGF-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000236649263 488080188 /nfs/dbraw/zinc/08/01/88/488080188.db2.gz YTBXJTVLYQLWQO-NSHDSACASA-N 2 0 227.352 0.585 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH3+])C1 ZINC000389195636 488080504 /nfs/dbraw/zinc/08/05/04/488080504.db2.gz XANMTDOOBPBMTC-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH3+])C1 ZINC000389195637 488080953 /nfs/dbraw/zinc/08/09/53/488080953.db2.gz XANMTDOOBPBMTC-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000257751329 488087686 /nfs/dbraw/zinc/08/76/86/488087686.db2.gz GPAHGNRGEGCNSD-WDEREUQCSA-N 2 0 225.336 0.278 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C1CC[NH2+]CC1 ZINC000236814603 488090134 /nfs/dbraw/zinc/09/01/34/488090134.db2.gz BTZKGLKTEREUJH-GFCCVEGCSA-N 2 0 241.379 0.818 20 0 BCADRP CN1CCN(C(=O)NCCC2CC2)[C@H](C[NH3+])C1 ZINC000669504252 488092123 /nfs/dbraw/zinc/09/21/23/488092123.db2.gz CXJQYVMPUSEJEP-LLVKDONJSA-N 2 0 240.351 0.071 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000389634339 488103767 /nfs/dbraw/zinc/10/37/67/488103767.db2.gz IVSIBLWENSRBGX-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)[NH+](C)C ZINC000237109510 488103841 /nfs/dbraw/zinc/10/38/41/488103841.db2.gz XFKKPXXDLKPFNX-UWVGGRQHSA-N 2 0 213.325 0.147 20 0 BCADRP C[NH2+]CCC[NH+]1CCC(CO)(OC)CC1 ZINC000402918412 488107481 /nfs/dbraw/zinc/10/74/81/488107481.db2.gz MADXKTVSESNTNI-UHFFFAOYSA-N 2 0 216.325 0.069 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000669508978 488108132 /nfs/dbraw/zinc/10/81/32/488108132.db2.gz YNBWVSPRYXBFAZ-OUAUKWLOSA-N 2 0 225.336 0.243 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H]1CCCC[NH2+]1 ZINC000669509771 488110849 /nfs/dbraw/zinc/11/08/49/488110849.db2.gz VCFHVUDQLWHCDM-NWDGAFQWSA-N 2 0 239.363 0.777 20 0 BCADRP C[NH2+]CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000669510338 488112187 /nfs/dbraw/zinc/11/21/87/488112187.db2.gz LEMSRKSGQWRGRT-SNVBAGLBSA-N 2 0 241.722 0.675 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)c1c[nH+]ccc1N ZINC000669510435 488112333 /nfs/dbraw/zinc/11/23/33/488112333.db2.gz IDQZHDPOOJEVHO-UHFFFAOYSA-N 2 0 236.319 0.612 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000669510365 488112710 /nfs/dbraw/zinc/11/27/10/488112710.db2.gz QXAUJQDELAKPKI-ZDUSSCGKSA-N 2 0 247.342 0.863 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000669510456 488112441 /nfs/dbraw/zinc/11/24/41/488112441.db2.gz LSBQSZRYILNZGJ-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000669510310 488112531 /nfs/dbraw/zinc/11/25/31/488112531.db2.gz CCIPRPFLJWKLTD-LLVKDONJSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@]1(C(=O)NC[C@@H]([NH3+])c2ccccc2)CCC[NH2+]1 ZINC000669510724 488113396 /nfs/dbraw/zinc/11/33/96/488113396.db2.gz XNFSXEFUJPRAGB-TZMCWYRMSA-N 2 0 247.342 0.945 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000246785004 488113819 /nfs/dbraw/zinc/11/38/19/488113819.db2.gz AALHSEFIKWTECB-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]CC1(NC(=O)CC2([NH3+])CCC2)CCCC1 ZINC000669510929 488114453 /nfs/dbraw/zinc/11/44/53/488114453.db2.gz FDJMVBUSWFBPHV-UHFFFAOYSA-N 2 0 225.336 0.646 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000669511542 488116066 /nfs/dbraw/zinc/11/60/66/488116066.db2.gz YYFGBEFRGKFWDM-VHSXEESVSA-N 2 0 227.352 0.748 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)C[NH2+]CC1CC1 ZINC000669512459 488118635 /nfs/dbraw/zinc/11/86/35/488118635.db2.gz YDWPVUVAPQEEDD-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000669513500 488120627 /nfs/dbraw/zinc/12/06/27/488120627.db2.gz VOKIHXYPBSDNDN-GMXVVIOVSA-N 2 0 239.363 0.620 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CC1([NH3+])CCC1 ZINC000669513520 488121578 /nfs/dbraw/zinc/12/15/78/488121578.db2.gz AZYCXQDWWRCADC-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000669513845 488122446 /nfs/dbraw/zinc/12/24/46/488122446.db2.gz XUXDFSKTPSGLDJ-LLVKDONJSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CC1([NH3+])CCC1 ZINC000669514039 488122680 /nfs/dbraw/zinc/12/26/80/488122680.db2.gz AZPUJSJPXPHCCQ-ZJUUUORDSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C2([NH3+])CCCC2)CC[NH2+]1 ZINC000669514685 488123964 /nfs/dbraw/zinc/12/39/64/488123964.db2.gz ZPAHFNVPKJYVOU-LLVKDONJSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CC[NH2+]1 ZINC000669514933 488124177 /nfs/dbraw/zinc/12/41/77/488124177.db2.gz TYRAVONDEVUNEI-DGCLKSJQSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC[NH2+]1 ZINC000669514883 488124595 /nfs/dbraw/zinc/12/45/95/488124595.db2.gz OQURFPHYEZVMQM-SDDRHHMPSA-N 2 0 239.363 0.441 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000669514765 488124633 /nfs/dbraw/zinc/12/46/33/488124633.db2.gz GMFDGURZHWQGAM-WDEREUQCSA-N 2 0 227.352 0.298 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H]2CC[NH2+][C@H]2C)CC[NH2+]1 ZINC000669514882 488124551 /nfs/dbraw/zinc/12/45/51/488124551.db2.gz OQURFPHYEZVMQM-QJPTWQEYSA-N 2 0 239.363 0.441 20 0 BCADRP CC(C)[C@H]1CN(C(=O)CC[C@@H](C)[NH3+])CC[NH2+]1 ZINC000669514988 488125206 /nfs/dbraw/zinc/12/52/06/488125206.db2.gz ZNXWNWXUKICFBT-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669515876 488125795 /nfs/dbraw/zinc/12/57/95/488125795.db2.gz IAMOQNZZKZRTOQ-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000669516188 488126138 /nfs/dbraw/zinc/12/61/38/488126138.db2.gz WVMZAZNGJPUKLO-USZNOCQGSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@]1(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCC[NH2+]1 ZINC000669516090 488125942 /nfs/dbraw/zinc/12/59/42/488125942.db2.gz QVZNWXCXRFOZRD-DMDPSCGWSA-N 2 0 237.347 0.339 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC(C)C)CC[C@H]1[NH3+] ZINC000669516050 488125969 /nfs/dbraw/zinc/12/59/69/488125969.db2.gz PQWOCJKUDJZEPT-IJLUTSLNSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)CC2([NH3+])CCC2)[C@H]1C ZINC000669516824 488126930 /nfs/dbraw/zinc/12/69/30/488126930.db2.gz HCNVSAIQWJHPDO-ZJUUUORDSA-N 2 0 225.336 0.467 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)[NH+](C)C ZINC000237243391 488128127 /nfs/dbraw/zinc/12/81/27/488128127.db2.gz XFKKPXXDLKPFNX-VHSXEESVSA-N 2 0 213.325 0.147 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](C)[NH3+] ZINC000669517740 488129350 /nfs/dbraw/zinc/12/93/50/488129350.db2.gz JSXVIVMFPOWUGJ-RKDXNWHRSA-N 2 0 215.341 0.474 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000669517769 488129674 /nfs/dbraw/zinc/12/96/74/488129674.db2.gz SIDDNMUOCANPGB-SNVBAGLBSA-N 2 0 247.342 0.452 20 0 BCADRP CC(C)[NH2+]CC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040624531 488130318 /nfs/dbraw/zinc/13/03/18/488130318.db2.gz QZSLUVXCUVGFKP-GFCCVEGCSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CC(C)(C)[NH3+] ZINC000669518639 488130278 /nfs/dbraw/zinc/13/02/78/488130278.db2.gz XCBPNDMZBTXYPL-FXPVBKGRSA-N 2 0 227.352 0.617 20 0 BCADRP C[C@H](CCO)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000085131495 488132005 /nfs/dbraw/zinc/13/20/05/488132005.db2.gz SVTIHWXVLZLMJB-VXGBXAGGSA-N 2 0 230.352 0.051 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000669518767 488133783 /nfs/dbraw/zinc/13/37/83/488133783.db2.gz IVUDDXCLIQLYPK-SRVKXCTJSA-N 2 0 241.379 0.723 20 0 BCADRP CC(C)([NH3+])CC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000669518814 488133707 /nfs/dbraw/zinc/13/37/07/488133707.db2.gz YZSTWZPTVWPAPW-XYPYZODXSA-N 2 0 241.379 0.995 20 0 BCADRP CC(C)([NH3+])CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000382348150 487540661 /nfs/dbraw/zinc/54/06/61/487540661.db2.gz FWQPRBISHNAOGF-DTWKUNHWSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H](C(=O)N(C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000674266589 487542038 /nfs/dbraw/zinc/54/20/38/487542038.db2.gz SDUAKLWGYLRKMJ-JTQLQIEISA-N 2 0 227.352 0.489 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH3+])o2)C1 ZINC000094567243 487542434 /nfs/dbraw/zinc/54/24/34/487542434.db2.gz HDBVNCLSXOQDIG-SECBINFHSA-N 2 0 237.303 0.420 20 0 BCADRP C[NH+]1CCC(NC(=O)c2ccc(C[NH3+])o2)CC1 ZINC000094565107 487542654 /nfs/dbraw/zinc/54/26/54/487542654.db2.gz JKBYHFUCMGHCSZ-UHFFFAOYSA-N 2 0 237.303 0.562 20 0 BCADRP C[NH+](C)CCCCNC(=O)c1ccc(C[NH3+])o1 ZINC000094571074 487544498 /nfs/dbraw/zinc/54/44/98/487544498.db2.gz YTKDACJLNBRCOT-UHFFFAOYSA-N 2 0 239.319 0.810 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000162264910 487546581 /nfs/dbraw/zinc/54/65/81/487546581.db2.gz ARTJPAGDFVQWJT-SECBINFHSA-N 2 0 213.325 0.228 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000070088299 487547786 /nfs/dbraw/zinc/54/77/86/487547786.db2.gz NPWCKTFXRJJRBN-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)[NH+](C)C ZINC000674288453 487549500 /nfs/dbraw/zinc/54/95/00/487549500.db2.gz ATOXWWMCQZGJID-SDDRHHMPSA-N 2 0 241.379 0.735 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000392838374 487555440 /nfs/dbraw/zinc/55/54/40/487555440.db2.gz OZECFXCPECABPE-NWDGAFQWSA-N 2 0 237.347 0.492 20 0 BCADRP CN(C)C(=O)CC[NH2+]CC1CC[NH2+]CC1 ZINC000086700741 487532313 /nfs/dbraw/zinc/53/23/13/487532313.db2.gz IHIVTQNIYRPAJE-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)C[NH2+]C(C)C)C1 ZINC000037484150 487471624 /nfs/dbraw/zinc/47/16/24/487471624.db2.gz LYRUBGLOQOPVSR-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@H]1CN(C(=O)CC[NH2+]C2CC2)CC[C@@H]1[NH3+] ZINC000655458610 487472093 /nfs/dbraw/zinc/47/20/93/487472093.db2.gz SGZNPOYVNFILIE-JQWIXIFHSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000161057517 487474006 /nfs/dbraw/zinc/47/40/06/487474006.db2.gz WMRPKJJLDZFISI-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]CCN(C)C(=O)c1ccccc1CC[NH3+] ZINC000070542470 487482458 /nfs/dbraw/zinc/48/24/58/487482458.db2.gz AOSIYCQDNKWJTO-UHFFFAOYSA-N 2 0 235.331 0.479 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000086067800 487477112 /nfs/dbraw/zinc/47/71/12/487477112.db2.gz ZGNWYABTMPDFPL-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000295010394 487478386 /nfs/dbraw/zinc/47/83/86/487478386.db2.gz MCICPGCUSCIVAL-BDAKNGLRSA-N 2 0 234.303 0.664 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)C[NH2+]C ZINC000086068551 487478989 /nfs/dbraw/zinc/47/89/89/487478989.db2.gz UYIHWIHZGYSZBA-MNOVXSKESA-N 2 0 229.368 0.688 20 0 BCADRP C[C@@]1(C(=O)NC[C@@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000237505253 487479202 /nfs/dbraw/zinc/47/92/02/487479202.db2.gz CJPGKSFESCDLCC-CMPLNLGQSA-N 2 0 225.336 0.244 20 0 BCADRP CCN1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000391496147 487481150 /nfs/dbraw/zinc/48/11/50/487481150.db2.gz GXOXIUAVCRINLE-OUAUKWLOSA-N 2 0 225.336 0.467 20 0 BCADRP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C)[NH3+] ZINC000669286328 487485619 /nfs/dbraw/zinc/48/56/19/487485619.db2.gz HPWQUXVXUYFBBP-VHSXEESVSA-N 2 0 230.356 0.363 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)C(C)(C)C ZINC000393963674 487493316 /nfs/dbraw/zinc/49/33/16/487493316.db2.gz JSZHLFOOGXZGRS-NEPJUHHUSA-N 2 0 246.395 0.684 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC(=O)N2)C1 ZINC000086404429 487500933 /nfs/dbraw/zinc/50/09/33/487500933.db2.gz IMMZTIHIOJACTC-UTLUCORTSA-N 2 0 211.309 0.125 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973208 487504935 /nfs/dbraw/zinc/50/49/35/487504935.db2.gz JVPIQQFWJKZANO-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@]1(C(=O)NCC[NH2+]C2CC2)CCC[NH2+]C1 ZINC000237757616 487511811 /nfs/dbraw/zinc/51/18/11/487511811.db2.gz WIUARDCUHAARTP-LBPRGKRZSA-N 2 0 225.336 0.244 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000381436222 487507861 /nfs/dbraw/zinc/50/78/61/487507861.db2.gz XYZWNXFEMPPDQG-GUBZILKMSA-N 2 0 213.325 0.180 20 0 BCADRP [NH3+]C[C@H](C(=O)NCC[NH2+]C1CC1)c1ccccc1 ZINC000237817359 487518454 /nfs/dbraw/zinc/51/84/54/487518454.db2.gz MNLHOZVSHWZTDX-ZDUSSCGKSA-N 2 0 247.342 0.597 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000094294219 487526366 /nfs/dbraw/zinc/52/63/66/487526366.db2.gz CURPBQCQVQSIEV-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC[C@@H]1[NH3+] ZINC000662243807 490040986 /nfs/dbraw/zinc/04/09/86/490040986.db2.gz KGKNFTAOHXSOAC-WOPDTQHZSA-N 3 0 239.363 0.177 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)[NH+](C)C ZINC000674246304 487535011 /nfs/dbraw/zinc/53/50/11/487535011.db2.gz IUFGHPSDVPTTTF-MNOVXSKESA-N 2 0 229.368 0.783 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638146667 487732627 /nfs/dbraw/zinc/73/26/27/487732627.db2.gz SORMZRUSVQELNO-GKDVJIACSA-N 2 0 225.336 0.465 20 0 BCADRP CO[C@H](C[NH2+][C@@H](C)CC[NH+](C)C)[C@H]1CCOC1 ZINC000668445001 487766402 /nfs/dbraw/zinc/76/64/02/487766402.db2.gz VEAABPVMXUIIHZ-RWMBFGLXSA-N 2 0 244.379 0.968 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC1CC[NH2+]CC1 ZINC000653042856 487943929 /nfs/dbraw/zinc/94/39/29/487943929.db2.gz JGLSDVDEUPRNNI-GXSJLCMTSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H](C)[NH2+]C ZINC000655448108 488036832 /nfs/dbraw/zinc/03/68/32/488036832.db2.gz BSNYNONAMKOODX-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663498834 488047501 /nfs/dbraw/zinc/04/75/01/488047501.db2.gz UGTVLFZRMDHCMJ-NOOOWODRSA-N 3 0 209.337 0.313 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000677502731 488053843 /nfs/dbraw/zinc/05/38/43/488053843.db2.gz OZUZBZLODGLQMX-GFCCVEGCSA-N 2 0 239.363 0.635 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000669520117 488136400 /nfs/dbraw/zinc/13/64/00/488136400.db2.gz AISNLVGQVNNBJI-GVXVVHGQSA-N 2 0 249.358 0.798 20 0 BCADRP CN(C(=O)CC(C)(C)[NH3+])C1(C[NH3+])CCC1 ZINC000669520483 488140963 /nfs/dbraw/zinc/14/09/63/488140963.db2.gz VYSURQPJLOLCSX-UHFFFAOYSA-N 2 0 213.325 0.454 20 0 BCADRP [NH3+]C1(CC(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)CCC1 ZINC000669520855 488149330 /nfs/dbraw/zinc/14/93/30/488149330.db2.gz CNUJRFMHFWJHTN-WDEREUQCSA-N 2 0 237.347 0.468 20 0 BCADRP C[NH+]1CCC(C(=O)NCC[NH2+]C2CC2)CC1 ZINC000237105063 488149487 /nfs/dbraw/zinc/14/94/87/488149487.db2.gz DDYBCKZPJKSMJF-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CC(C)(C)[NH3+] ZINC000237336399 488149660 /nfs/dbraw/zinc/14/96/60/488149660.db2.gz QBZAZHYZNHWFHE-ZJUUUORDSA-N 2 0 227.352 0.842 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CC1([NH3+])CCC1 ZINC000669521126 488150562 /nfs/dbraw/zinc/15/05/62/488150562.db2.gz CBTLVASSCKPVHD-SECBINFHSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@@H]1CCN(C(=O)CC(C)(C)[NH3+])C[C@@H]1C[NH3+] ZINC000669521465 488152886 /nfs/dbraw/zinc/15/28/86/488152886.db2.gz OTIUVNAXRRZRBC-ZJUUUORDSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@H]1CCN(C(=O)CC(C)(C)[NH3+])C[C@@H]1C[NH3+] ZINC000669521463 488152896 /nfs/dbraw/zinc/15/28/96/488152896.db2.gz OTIUVNAXRRZRBC-UWVGGRQHSA-N 2 0 227.352 0.557 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@H+](CCc2ccnn2C)C1 ZINC000230764507 488155723 /nfs/dbraw/zinc/15/57/23/488155723.db2.gz XIJDADZVXIXERP-GFCCVEGCSA-N 2 0 236.363 0.894 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCOCCO)C1 ZINC000230782872 488158075 /nfs/dbraw/zinc/15/80/75/488158075.db2.gz BLQDZJXHTVUIQV-GHMZBOCLSA-N 2 0 216.325 0.245 20 0 BCADRP CCn1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nn1 ZINC000404432552 488159356 /nfs/dbraw/zinc/15/93/56/488159356.db2.gz AAEJBTZMYGISTJ-GRYCIOLGSA-N 2 0 249.362 0.776 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000669524884 488165645 /nfs/dbraw/zinc/16/56/45/488165645.db2.gz YSUFGCAUACFHPV-ZJUUUORDSA-N 2 0 244.383 0.609 20 0 BCADRP C[NH2+]CCC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000230896191 488170415 /nfs/dbraw/zinc/17/04/15/488170415.db2.gz WAFCIAGJDXZSOC-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CCC[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000230896193 488170553 /nfs/dbraw/zinc/17/05/53/488170553.db2.gz WAFCIAGJDXZSOC-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP CN1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000380124609 488175279 /nfs/dbraw/zinc/17/52/79/488175279.db2.gz VHJKRDJWJAFRRL-KXUCPTDWSA-N 2 0 211.309 0.077 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC[NH3+] ZINC000669529850 488178360 /nfs/dbraw/zinc/17/83/60/488178360.db2.gz GSHBNPMMNBNMJZ-SNVBAGLBSA-N 2 0 228.340 0.119 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCC[NH3+] ZINC000669530090 488178480 /nfs/dbraw/zinc/17/84/80/488178480.db2.gz PXOOEESUAYKJHY-NSHDSACASA-N 2 0 242.367 0.509 20 0 BCADRP C[C@H](CCO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401068744 488182021 /nfs/dbraw/zinc/18/20/21/488182021.db2.gz ZYVTZVDPWMWRMB-WISYIIOYSA-N 2 0 212.337 0.735 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH2+]C(C)C ZINC000037477077 488186752 /nfs/dbraw/zinc/18/67/52/488186752.db2.gz OVVXFTIPXBBPFR-LLVKDONJSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000668022610 488188745 /nfs/dbraw/zinc/18/87/45/488188745.db2.gz LAUMVLOSWVJLBO-NSHDSACASA-N 2 0 239.363 0.633 20 0 BCADRP O=C(CC[NH2+]C1CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000655456681 488193701 /nfs/dbraw/zinc/19/37/01/488193701.db2.gz MJSNBWFHVPUIOC-LLVKDONJSA-N 2 0 225.336 0.387 20 0 BCADRP [NH3+]C1(CC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000398051522 488197729 /nfs/dbraw/zinc/19/77/29/488197729.db2.gz DNTYCZABSOMGKO-QWRGUYRKSA-N 2 0 237.347 0.611 20 0 BCADRP C[N@H+](CCNC(=O)CC1([NH3+])CC1)C1CCCC1 ZINC000398059488 488201419 /nfs/dbraw/zinc/20/14/19/488201419.db2.gz FJWXGBVEAHYKPK-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP [NH3+]C1(CC(=O)NCC[NH+]2CCCC2)CC1 ZINC000398061903 488206314 /nfs/dbraw/zinc/20/63/14/488206314.db2.gz HOHBZCLFQMEXGP-UHFFFAOYSA-N 2 0 211.309 0.080 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CC2([NH3+])CC2)CC[N@@H+]1C ZINC000398073945 488207719 /nfs/dbraw/zinc/20/77/19/488207719.db2.gz AVAUGHRBQPFWQP-ZJUUUORDSA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000043802301 488208994 /nfs/dbraw/zinc/20/89/94/488208994.db2.gz XPGGPQYTRYJJCW-GFCCVEGCSA-N 2 0 227.352 0.001 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000398101014 488210321 /nfs/dbraw/zinc/21/03/21/488210321.db2.gz HQDVBOCPPQQKBU-UHFFFAOYSA-N 2 0 225.336 0.420 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)CC1([NH3+])CC1 ZINC000398156779 488212993 /nfs/dbraw/zinc/21/29/93/488212993.db2.gz PHTRXOWCQWGCBR-UHFFFAOYSA-N 2 0 213.325 0.324 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000399089751 488226983 /nfs/dbraw/zinc/22/69/83/488226983.db2.gz WAKFPZNNVJBETD-NEPJUHHUSA-N 2 0 239.363 0.714 20 0 BCADRP c1cc2n(n1)C[C@H](C[N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CN2 ZINC000684202698 488276110 /nfs/dbraw/zinc/27/61/10/488276110.db2.gz XUKIOGYQOKAFRY-SDDRHHMPSA-N 2 0 247.346 0.076 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000673660822 488301711 /nfs/dbraw/zinc/30/17/11/488301711.db2.gz DWQFGDLXTGKQKB-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655505413 490106677 /nfs/dbraw/zinc/10/66/77/490106677.db2.gz ZCKXUVATORVTCL-SSDOTTSWSA-N 2 0 241.257 0.380 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000078695461 490217756 /nfs/dbraw/zinc/21/77/56/490217756.db2.gz LXQMPFTVTBNKOA-UWVGGRQHSA-N 2 0 225.336 0.289 20 0 BCADRP C[C@@H](C(=O)N(C)CC1CC[NH+](C)CC1)[NH+](C)C ZINC000078732878 490222359 /nfs/dbraw/zinc/22/23/59/490222359.db2.gz DDBGQSDYBSRYIU-NSHDSACASA-N 2 0 241.379 0.737 20 0 BCADRP COC[C@H](O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000070589918 490224071 /nfs/dbraw/zinc/22/40/71/490224071.db2.gz HZJWVKYYRNFYMD-CMPLNLGQSA-N 2 0 230.352 0.314 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000309382740 490231321 /nfs/dbraw/zinc/23/13/21/490231321.db2.gz DMJCPPGDZCSAQP-VHSXEESVSA-N 2 0 213.325 0.311 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000563201191 490247371 /nfs/dbraw/zinc/24/73/71/490247371.db2.gz OOBFACXYWSZYBL-TXEJJXNPSA-N 2 0 241.379 0.962 20 0 BCADRP C([C@@H]1C[NH2+]CCO1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000070941765 490250957 /nfs/dbraw/zinc/25/09/57/490250957.db2.gz FNKCZKJFFWPQGX-OLZOCXBDSA-N 2 0 239.363 0.145 20 0 BCADRP [NH3+]CCN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000335407915 490301620 /nfs/dbraw/zinc/30/16/20/490301620.db2.gz OQBJLPTYOSBBBU-LBPRGKRZSA-N 2 0 205.305 0.503 20 0 BCADRP C[NH2+]CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000083913568 490344840 /nfs/dbraw/zinc/34/48/40/490344840.db2.gz RUPBKKZHPWDJAC-VIFPVBQESA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)[C@H]1CC[NH3+] ZINC000653232744 490393717 /nfs/dbraw/zinc/39/37/17/490393717.db2.gz IMGGFMGIQBJLFU-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1C[C@@H](N(C)C[C@@H]2C[NH2+]CCO2)CC[N@@H+]1C ZINC000125480298 490437163 /nfs/dbraw/zinc/43/71/63/490437163.db2.gz ZSACQKBDOOEXSQ-AGIUHOORSA-N 2 0 241.379 0.389 20 0 BCADRP C[C@H]1OCC[C@]1(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300424658 490561679 /nfs/dbraw/zinc/56/16/79/490561679.db2.gz ZELUUIXCHOTXIG-LPWJVIDDSA-N 2 0 242.363 0.599 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648181084 490562939 /nfs/dbraw/zinc/56/29/39/490562939.db2.gz ZAQSOCMEGLQQAG-ZJUUUORDSA-N 2 0 225.336 0.515 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000127873392 490564895 /nfs/dbraw/zinc/56/48/95/490564895.db2.gz XWOHDTVJKIEFME-WCQYABFASA-N 2 0 245.326 0.352 20 0 BCADRP O=C(N[C@H]1CC[NH2+]C1)[C@H]1[NH2+]CCc2ccccc21 ZINC000127873164 490565133 /nfs/dbraw/zinc/56/51/33/490565133.db2.gz XWOHDTVJKIEFME-AAEUAGOBSA-N 2 0 245.326 0.352 20 0 BCADRP O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000131720043 490655302 /nfs/dbraw/zinc/65/53/02/490655302.db2.gz NXZKFFBMRDXXLB-GHMZBOCLSA-N 2 0 225.336 0.244 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000659305188 491078041 /nfs/dbraw/zinc/07/80/41/491078041.db2.gz FMTZSGZVUDLZLT-NXEZZACHSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000153186895 491091965 /nfs/dbraw/zinc/09/19/65/491091965.db2.gz NSWYNXPHBZHRKT-OUAUKWLOSA-N 2 0 227.352 0.569 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C)C1CC[NH2+]CC1 ZINC000662399060 491099716 /nfs/dbraw/zinc/09/97/16/491099716.db2.gz FLSNBPJEOCQZCB-SNVBAGLBSA-N 2 0 213.325 0.195 20 0 BCADRP CN1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H](C[NH3+])C1 ZINC000662430554 491100914 /nfs/dbraw/zinc/10/09/14/491100914.db2.gz ZXQUYAWYGYMCHF-NOOOWODRSA-N 2 0 237.347 0.134 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000340169999 491111975 /nfs/dbraw/zinc/11/19/75/491111975.db2.gz XIIGZPKTXXWPPT-DCAQKATOSA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCCC1(C[NH3+])CC1 ZINC000653214958 491128330 /nfs/dbraw/zinc/12/83/30/491128330.db2.gz JHZWAXMORVGDSU-SNVBAGLBSA-N 2 0 227.352 0.605 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559671 491128804 /nfs/dbraw/zinc/12/88/04/491128804.db2.gz PDCUADPFJUCYSO-NXEZZACHSA-N 2 0 215.341 0.426 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559741 491128824 /nfs/dbraw/zinc/12/88/24/491128824.db2.gz ZHNUNLVBNOJWMU-UWVGGRQHSA-N 2 0 215.341 0.570 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000131910497 491133841 /nfs/dbraw/zinc/13/38/41/491133841.db2.gz VQPWLJIJJKBOHI-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP COC(=O)N1CC([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000496503321 533932062 /nfs/dbraw/zinc/93/20/62/533932062.db2.gz AUMLYUYACXPESN-SECBINFHSA-N 2 0 229.324 0.544 20 0 BCADRP COC(=O)N1CC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000496500060 533933762 /nfs/dbraw/zinc/93/37/62/533933762.db2.gz VGGZSNCWVIJPNF-PSASIEDQSA-N 2 0 227.308 0.154 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226403272 535678859 /nfs/dbraw/zinc/67/88/59/535678859.db2.gz BFDMCUGFKJVUTR-AXFHLTTASA-N 2 0 227.352 0.713 20 0 BCADRP C[N@@H+]1CCN(C(=O)NCCC[NH3+])CCC1(C)C ZINC000891985402 582752754 /nfs/dbraw/zinc/75/27/54/582752754.db2.gz BOZJNICGUJLGLK-UHFFFAOYSA-N 2 0 242.367 0.461 20 0 BCADRP CC[NH2+]CCNC(=O)N1CCC([NH3+])(CC)CC1 ZINC000891995691 582757477 /nfs/dbraw/zinc/75/74/77/582757477.db2.gz RLMLEVYAXNPVLK-UHFFFAOYSA-N 2 0 242.367 0.509 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@@H](C)C[NH3+] ZINC000892044936 582772040 /nfs/dbraw/zinc/77/20/40/582772040.db2.gz PWINHJBUKXTKAK-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892045998 582771414 /nfs/dbraw/zinc/77/14/14/582771414.db2.gz YENROQRWVRYUAC-OUAUKWLOSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N(C)CCCCCC[NH3+] ZINC000892045719 582771603 /nfs/dbraw/zinc/77/16/03/582771603.db2.gz UUJWZANBKHVJIW-NSHDSACASA-N 2 0 244.383 0.742 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892055946 582778334 /nfs/dbraw/zinc/77/83/34/582778334.db2.gz NPWRIMZSQKLHLL-GRZMOONWSA-N 2 0 240.351 0.389 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000892090966 582788684 /nfs/dbraw/zinc/78/86/84/582788684.db2.gz CUMHLQGQMJLGDI-JTQLQIEISA-N 2 0 242.367 0.637 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000892139896 582798530 /nfs/dbraw/zinc/79/85/30/582798530.db2.gz UQGOBURQPUBHHX-KXUCPTDWSA-N 2 0 228.340 0.245 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000892142706 582799785 /nfs/dbraw/zinc/79/97/85/582799785.db2.gz BFJHMIJNKOWKTJ-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1CCC([NH3+])(CC)CC1 ZINC000892143838 582800165 /nfs/dbraw/zinc/80/01/65/582800165.db2.gz GCEVMVMHBMMSBC-JTQLQIEISA-N 2 0 242.367 0.637 20 0 BCADRP [NH3+]CC1(CCNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000892220226 582808762 /nfs/dbraw/zinc/80/87/62/582808762.db2.gz FGUUYISPAVDSCO-AOOOYVTPSA-N 2 0 240.351 0.152 20 0 BCADRP CNC(=O)[C@@H](C)C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261535264 536344861 /nfs/dbraw/zinc/34/48/61/536344861.db2.gz XKSMTIDRQDKNKH-QWRGUYRKSA-N 2 0 227.352 0.300 20 0 BCADRP O=C1OC[C@H]2C[N@H+](CC3CC[NH2+]CC3)CCN12 ZINC000497098682 534816910 /nfs/dbraw/zinc/81/69/10/534816910.db2.gz LVPWBFYQILJNSM-LLVKDONJSA-N 2 0 239.319 0.122 20 0 BCADRP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH3+])[NH+](C)C ZINC000262543897 534897839 /nfs/dbraw/zinc/89/78/39/534897839.db2.gz YFDFDBCMHPWVHK-NXEZZACHSA-N 2 0 215.341 0.426 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC000178966649 536467688 /nfs/dbraw/zinc/46/76/88/536467688.db2.gz ZWWFSXDKWTUSOU-LLVKDONJSA-N 2 0 227.352 0.395 20 0 BCADRP CC[N@H+](C)CCN[C@@H]1CC[NH+](C)C[C@H]1C ZINC000309032791 527802532 /nfs/dbraw/zinc/80/25/32/527802532.db2.gz FZFFEUOCBCYWMG-VXGBXAGGSA-N 2 0 213.369 0.868 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000493823201 527805391 /nfs/dbraw/zinc/80/53/91/527805391.db2.gz RPDJEKMHSSKGMP-GMTAPVOTSA-N 2 0 227.352 0.570 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000494689350 527821908 /nfs/dbraw/zinc/82/19/08/527821908.db2.gz HAYQJJYSVAOWPC-NSHDSACASA-N 2 0 229.368 0.962 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000494709762 528497217 /nfs/dbraw/zinc/49/72/17/528497217.db2.gz OOJADTDXJXTTOW-FIQHERPVSA-N 2 0 239.363 0.556 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000494699595 528500042 /nfs/dbraw/zinc/50/00/42/528500042.db2.gz QJVWSSFZILVPQR-YUSALJHKSA-N 2 0 239.363 0.569 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000494653039 528813463 /nfs/dbraw/zinc/81/34/63/528813463.db2.gz JZBDKNAAQBQKMK-NSHDSACASA-N 2 0 229.368 0.960 20 0 BCADRP CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])C1 ZINC000497070995 529007587 /nfs/dbraw/zinc/00/75/87/529007587.db2.gz IJRKUEFQAFPVKO-WDEREUQCSA-N 2 0 243.351 0.934 20 0 BCADRP CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000496878522 529022389 /nfs/dbraw/zinc/02/23/89/529022389.db2.gz ZJBOAIDGZDWCPW-DCAQKATOSA-N 2 0 243.351 0.933 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000261916268 534931798 /nfs/dbraw/zinc/93/17/98/534931798.db2.gz YWJOOAXGZPZDIZ-QWRGUYRKSA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)[N@@H+](C)CC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178805656 534993935 /nfs/dbraw/zinc/99/39/35/534993935.db2.gz FEFLCSMZTJTAHP-LLVKDONJSA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178407653 535047529 /nfs/dbraw/zinc/04/75/29/535047529.db2.gz RKRCBMRXAWPVBS-KOLCDFICSA-N 2 0 227.352 0.556 20 0 BCADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)N(C)C ZINC000227736150 535062686 /nfs/dbraw/zinc/06/26/86/535062686.db2.gz KTHMDRYNOXTKEM-LLVKDONJSA-N 2 0 229.368 0.770 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335306523 535064301 /nfs/dbraw/zinc/06/43/01/535064301.db2.gz CDCKJJJFRINHME-CYBMUJFWSA-N 2 0 239.363 0.573 20 0 BCADRP CC(C)([NH3+])C(=O)N1c2ccccc2C[C@@H]1C[NH3+] ZINC000335570094 535195304 /nfs/dbraw/zinc/19/53/04/535195304.db2.gz ZIKYPQHKOKBDNK-SNVBAGLBSA-N 2 0 233.315 0.640 20 0 BCADRP CCCN(C(=O)C[NH2+]CC1CC1)[C@@H]1CC[NH2+]C1 ZINC000178912744 535205362 /nfs/dbraw/zinc/20/53/62/535205362.db2.gz MXIWICGASQQQMF-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000261573411 535205894 /nfs/dbraw/zinc/20/58/94/535205894.db2.gz IUGVXTLMVKZRLZ-OPRDCNLKSA-N 2 0 213.325 0.226 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000236617803 535206912 /nfs/dbraw/zinc/20/69/12/535206912.db2.gz HODOISKYSUYXDQ-SECBINFHSA-N 2 0 225.336 0.230 20 0 BCADRP CCCN(C(=O)C[C@@H](C)[NH3+])[C@H]1CC[NH2+]C1 ZINC000261584537 535207375 /nfs/dbraw/zinc/20/73/75/535207375.db2.gz PXJWXQABRPKRRL-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000261540001 535248202 /nfs/dbraw/zinc/24/82/02/535248202.db2.gz DMNWRIOROGESDE-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCn1cncn1 ZINC000261535873 535308634 /nfs/dbraw/zinc/30/86/34/535308634.db2.gz PMZIMOXEEDTXHE-SNVBAGLBSA-N 2 0 211.313 0.241 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000347654725 535361662 /nfs/dbraw/zinc/36/16/62/535361662.db2.gz MHGYICLONDAWNK-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP CC[NH+]1CCC(CCNC(=O)C[NH+](C)C)CC1 ZINC000174179651 535447177 /nfs/dbraw/zinc/44/71/77/535447177.db2.gz ZYRLUKKASNESMQ-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000176372710 535492113 /nfs/dbraw/zinc/49/21/13/535492113.db2.gz NTTWDMRWUZMXEP-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP CC[N@@H+]1CCCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000335299212 535509329 /nfs/dbraw/zinc/50/93/29/535509329.db2.gz GKWPUCYSRPZJRI-UHFFFAOYSA-N 2 0 242.367 0.461 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000252433433 535598508 /nfs/dbraw/zinc/59/85/08/535598508.db2.gz LSAZYPIATNNIAL-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000261536877 535654948 /nfs/dbraw/zinc/65/49/48/535654948.db2.gz UBTRAPXZOWBJSU-HTQZYQBOSA-N 2 0 201.314 0.213 20 0 BCADRP CC[N@H+](CCC(=O)OC)C[C@]1(C)CC[NH2+]C1 ZINC000262009253 535710219 /nfs/dbraw/zinc/71/02/19/535710219.db2.gz MEDGXKKWZUNGLQ-GFCCVEGCSA-N 2 0 228.336 0.871 20 0 BCADRP CC[C@@H](COC)[NH2+]CCOCC[NH+](C)C ZINC000231786918 535761463 /nfs/dbraw/zinc/76/14/63/535761463.db2.gz SUFJRGNGIDWLNJ-NSHDSACASA-N 2 0 218.341 0.579 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084308882 535836473 /nfs/dbraw/zinc/83/64/73/535836473.db2.gz RBFDTBWDEMHWLI-GHMZBOCLSA-N 2 0 227.352 0.429 20 0 BCADRP C[NH+](C)CCCNC(=O)C[C@H]1CCC[C@@H]1[NH3+] ZINC000340112916 535836865 /nfs/dbraw/zinc/83/68/65/535836865.db2.gz VOPHNBHIAJFYFB-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[NH+](C)CCOc1cnccc1CNC(N)=[NH2+] ZINC000345207733 535916262 /nfs/dbraw/zinc/91/62/62/535916262.db2.gz VTGZXQNPLNVXGY-UHFFFAOYSA-N 2 0 237.307 0.005 20 0 BCADRP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@@H]1CCSC1 ZINC000226385894 535973906 /nfs/dbraw/zinc/97/39/06/535973906.db2.gz XTVJJICYYKGRSI-WDEREUQCSA-N 2 0 232.393 0.642 20 0 BCADRP CC[C@H](O)CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000253009714 535978258 /nfs/dbraw/zinc/97/82/58/535978258.db2.gz BABLUMCRSHSHSG-GARJFASQSA-N 2 0 200.326 0.864 20 0 BCADRP CC[C@@]1(C(=O)NCCC[NH+](C)C)CC[NH2+]C1 ZINC000062889452 536024417 /nfs/dbraw/zinc/02/44/17/536024417.db2.gz UEEATSJHAZMJIN-GFCCVEGCSA-N 2 0 227.352 0.444 20 0 BCADRP CN(C(=O)[C@H]1C[C@@]12CC[NH2+]C2)C1(C[NH3+])CCC1 ZINC000335664341 536064943 /nfs/dbraw/zinc/06/49/43/536064943.db2.gz ZYECZFZGGSMVDS-ZYHUDNBSSA-N 2 0 237.347 0.326 20 0 BCADRP CC[C@H](CCO)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000253020443 536098250 /nfs/dbraw/zinc/09/82/50/536098250.db2.gz JSJHVWVLQDSCIE-AXFHLTTASA-N 2 0 200.326 0.864 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000084420068 536138792 /nfs/dbraw/zinc/13/87/92/536138792.db2.gz LPRDYPCPWVKSST-ZJUUUORDSA-N 2 0 213.325 0.276 20 0 BCADRP CC[C@H]([NH3+])C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184190853 536139359 /nfs/dbraw/zinc/13/93/59/536139359.db2.gz OGTIIMSJFAOPIC-LBPRGKRZSA-N 2 0 235.331 0.711 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000178405557 536356084 /nfs/dbraw/zinc/35/60/84/536356084.db2.gz GDUUSLGEPDFXJU-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP C[NH2+][C@@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261547975 536361981 /nfs/dbraw/zinc/36/19/81/536361981.db2.gz MXUHLNBJWRWGRC-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP CNC(=O)[C@@]1(C)CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261573424 536371827 /nfs/dbraw/zinc/37/18/27/536371827.db2.gz IUPNSEAZBJMACK-NSHDSACASA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000335619752 536394818 /nfs/dbraw/zinc/39/48/18/536394818.db2.gz SJHXIKQXDUKOTC-GHMZBOCLSA-N 2 0 242.367 0.330 20 0 BCADRP C[NH2+][C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261549699 536412921 /nfs/dbraw/zinc/41/29/21/536412921.db2.gz PBJJQJXAPNPTNP-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+][C@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261547973 536413033 /nfs/dbraw/zinc/41/30/33/536413033.db2.gz MXUHLNBJWRWGRC-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747681 536461216 /nfs/dbraw/zinc/46/12/16/536461216.db2.gz ZVWQOISAAQRFTK-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000219925057 536462474 /nfs/dbraw/zinc/46/24/74/536462474.db2.gz UQXFLEHCHIZRGR-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP CN(C(=O)NCCC(C)(C)[NH3+])C1CC[NH2+]CC1 ZINC000892849864 582996488 /nfs/dbraw/zinc/99/64/88/582996488.db2.gz GQKRHMONEZKJMP-UHFFFAOYSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H]1CN(C(=O)NCCC(C)(C)[NH3+])CC[C@@H]1[NH3+] ZINC000892851203 582996150 /nfs/dbraw/zinc/99/61/50/582996150.db2.gz QWGYIJLPHAPCKP-ZJUUUORDSA-N 2 0 242.367 0.493 20 0 BCADRP CCC1([NH3+])CCN(C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000892933752 583011738 /nfs/dbraw/zinc/01/17/38/583011738.db2.gz OOOYHDKEPQZTTC-JTQLQIEISA-N 2 0 242.367 0.589 20 0 BCADRP C[C@H]1CN(C(=O)NCCC2(C[NH3+])CC2)CC[NH2+]1 ZINC000652232147 583153634 /nfs/dbraw/zinc/15/36/34/583153634.db2.gz RJIQBTVWMPWXCN-JTQLQIEISA-N 2 0 240.351 0.119 20 0 BCADRP C([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1CCCOC1 ZINC000853245653 588728518 /nfs/dbraw/zinc/72/85/18/588728518.db2.gz AUKBTGUUPAYATP-UNXYVOJBSA-N 2 0 210.321 0.755 20 0 BCADRP COC(=O)N(C)CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000854226155 588780461 /nfs/dbraw/zinc/78/04/61/588780461.db2.gz CZKHAWQTXOZAJA-MNOVXSKESA-N 2 0 243.351 0.934 20 0 BCADRP COC(=O)N(C)CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000854225872 588780669 /nfs/dbraw/zinc/78/06/69/588780669.db2.gz BBGYQUQPWIOEOD-GHMZBOCLSA-N 2 0 243.351 0.662 20 0 BCADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000854605265 588796862 /nfs/dbraw/zinc/79/68/62/588796862.db2.gz JKLVTXAHKRSUHO-CYBMUJFWSA-N 2 0 248.330 0.506 20 0 BCADRP C[C@H](CC[N@H+](C)CCCO)[NH+](C)CCCO ZINC000440943597 582497086 /nfs/dbraw/zinc/49/70/86/582497086.db2.gz ZBNSZOBWDKVHES-GFCCVEGCSA-N 2 0 232.368 0.393 20 0 BCADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843344332 582534727 /nfs/dbraw/zinc/53/47/27/582534727.db2.gz WDXNILDWSUFZKC-YNEHKIRRSA-N 3 0 243.395 0.847 20 0 BCADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C[NH+](C)C ZINC000890883443 582585702 /nfs/dbraw/zinc/58/57/02/582585702.db2.gz FJZSPRHSEWYPSW-UHFFFAOYSA-N 2 0 229.368 0.594 20 0 BCADRP CN(CC1C[NH+](C)C1)C(=O)C1([NH+](C)C)CCC1 ZINC000855642130 588843090 /nfs/dbraw/zinc/84/30/90/588843090.db2.gz UGTCWIPUPGDAJW-UHFFFAOYSA-N 2 0 239.363 0.491 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NCC1CC[NH2+]CC1 ZINC000891975989 582750446 /nfs/dbraw/zinc/75/04/46/582750446.db2.gz GCWOUWRXUROEKD-UHFFFAOYSA-N 2 0 242.367 0.413 20 0 BCADRP CN(C(=O)NCCC[NH3+])C1(C[NH3+])CCCCC1 ZINC000891987139 582753753 /nfs/dbraw/zinc/75/37/53/582753753.db2.gz OTNQPJJNUNBUMP-UHFFFAOYSA-N 2 0 242.367 0.638 20 0 BCADRP C[NH2+]CCNC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000891992197 582755223 /nfs/dbraw/zinc/75/52/23/582755223.db2.gz DPGICXHNEGHMON-JTQLQIEISA-N 2 0 228.340 0.119 20 0 BCADRP [NH3+]CC1(NC(=O)N[C@H]2CC[NH2+]C2)CCCCC1 ZINC000892003582 582758798 /nfs/dbraw/zinc/75/87/98/582758798.db2.gz WSWSGKIQESZLGS-JTQLQIEISA-N 2 0 240.351 0.309 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NCCC(C)(C)[NH3+] ZINC000892021870 582763440 /nfs/dbraw/zinc/76/34/40/582763440.db2.gz NDAQUTJCSRKYDZ-VIFPVBQESA-N 2 0 230.356 0.396 20 0 BCADRP CCN(C(=O)NCC(C)(C)[NH3+])[C@@H]1CC[NH2+]C1 ZINC000892034832 582766864 /nfs/dbraw/zinc/76/68/64/582766864.db2.gz VMLSIMYLUMUYOB-SECBINFHSA-N 2 0 228.340 0.117 20 0 BCADRP CC(C)([NH3+])CNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000892034779 582766881 /nfs/dbraw/zinc/76/68/81/582766881.db2.gz UICXXNSRVNVTSV-JOYOIKCWSA-N 2 0 240.351 0.308 20 0 BCADRP C[N@@H+]1CCN(C(=O)NCC(C)(C)[NH3+])CC1(C)C ZINC000892033855 582767328 /nfs/dbraw/zinc/76/73/28/582767328.db2.gz JGGCFUQSVABNBL-UHFFFAOYSA-N 2 0 242.367 0.459 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000892037145 582769158 /nfs/dbraw/zinc/76/91/58/582769158.db2.gz VBOXODUAOCYJJT-UWVGGRQHSA-N 2 0 242.367 0.635 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892040933 582770263 /nfs/dbraw/zinc/77/02/63/582770263.db2.gz PQXOUANJOBQBLH-DCAQKATOSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000892045211 582772670 /nfs/dbraw/zinc/77/26/70/582772670.db2.gz RJKDCAHFPWGGOJ-JTQLQIEISA-N 2 0 242.367 0.317 20 0 BCADRP CCN(C(=O)NC[C@H]([NH3+])C1CC1)[C@H]1CC[NH2+]C1 ZINC000892051106 582775251 /nfs/dbraw/zinc/77/52/51/582775251.db2.gz MWVBSECFKUCBKB-QWRGUYRKSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892055945 582777658 /nfs/dbraw/zinc/77/76/58/582777658.db2.gz NPWRIMZSQKLHLL-BMQDGWLCSA-N 2 0 240.351 0.389 20 0 BCADRP CN1CCN(CC2CC[NH+](C)CC2)CC1=O ZINC000892058937 582778809 /nfs/dbraw/zinc/77/88/09/582778809.db2.gz OAILSSSYVWURLB-UHFFFAOYSA-N 2 0 225.336 0.102 20 0 BCADRP C[C@H](C[NH3+])NC(=O)NC1(C[NH3+])CCCCC1 ZINC000892061810 582779820 /nfs/dbraw/zinc/77/98/20/582779820.db2.gz LEYDAQOPPDFEDH-SECBINFHSA-N 2 0 228.340 0.294 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892061376 582779868 /nfs/dbraw/zinc/77/98/68/582779868.db2.gz GYPBMCRYCWPFIA-ZJUUUORDSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892062794 582780568 /nfs/dbraw/zinc/78/05/68/582780568.db2.gz UQYYPFFINSPPOU-OPRDCNLKSA-N 2 0 228.340 0.150 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000892062034 582780808 /nfs/dbraw/zinc/78/08/08/582780808.db2.gz ADSKXKYZNYLNIE-SECBINFHSA-N 2 0 228.340 0.069 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C(=O)N[C@H](C)C[NH3+] ZINC000892063498 582781222 /nfs/dbraw/zinc/78/12/22/582781222.db2.gz LDGQCOBVBDBHEP-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000892083237 582788185 /nfs/dbraw/zinc/78/81/85/582788185.db2.gz SEMKWNITUORVFE-AXFHLTTASA-N 2 0 240.351 0.165 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000892089544 582788978 /nfs/dbraw/zinc/78/89/78/582788978.db2.gz RQNGIXLRZABCHU-RCWTZXSCSA-N 2 0 238.335 0.012 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCC(C)(C)[NH3+] ZINC000892092548 582789433 /nfs/dbraw/zinc/78/94/33/582789433.db2.gz QXSUPKFUBSMEHX-VHSXEESVSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000892097228 582790370 /nfs/dbraw/zinc/79/03/70/582790370.db2.gz MJQYQOKLEDQHAY-GWOFURMSSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)N2CCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC000892097724 582790872 /nfs/dbraw/zinc/79/08/72/582790872.db2.gz QJYKUPWJXQOYNC-GARJFASQSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892134401 582798112 /nfs/dbraw/zinc/79/81/12/582798112.db2.gz HROQWVCTZQMHLI-WDEREUQCSA-N 2 0 242.367 0.637 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)NCCC(C)(C)[NH3+] ZINC000892134738 582798241 /nfs/dbraw/zinc/79/82/41/582798241.db2.gz JXYCCOGTCXYVAR-JTQLQIEISA-N 2 0 244.383 0.931 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892135724 582798810 /nfs/dbraw/zinc/79/88/10/582798810.db2.gz VPVVJUMPFDPUMJ-DCAQKATOSA-N 2 0 242.367 0.540 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1CCC([NH3+])(CC)CC1 ZINC000892143839 582800228 /nfs/dbraw/zinc/80/02/28/582800228.db2.gz GCEVMVMHBMMSBC-SNVBAGLBSA-N 2 0 242.367 0.637 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000892142710 582800231 /nfs/dbraw/zinc/80/02/31/582800231.db2.gz BFJHMIJNKOWKTJ-ZJUUUORDSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000892144140 582800800 /nfs/dbraw/zinc/80/08/00/582800800.db2.gz HXIMZERWRDGTIR-OPRDCNLKSA-N 2 0 228.340 0.245 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000892175614 582805247 /nfs/dbraw/zinc/80/52/47/582805247.db2.gz MLUSRVASMYHOJJ-GARJFASQSA-N 2 0 240.351 0.247 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000892198473 582807441 /nfs/dbraw/zinc/80/74/41/582807441.db2.gz LWGOCPNJHOIXFA-VWYCJHECSA-N 2 0 242.367 0.635 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCC1(C[NH3+])CC1 ZINC000892221427 582809061 /nfs/dbraw/zinc/80/90/61/582809061.db2.gz WPPKUHMQSLACPW-NXEZZACHSA-N 2 0 240.351 0.247 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000892263113 582817536 /nfs/dbraw/zinc/81/75/36/582817536.db2.gz YXVJTAKKNSZXSZ-UHFFFAOYSA-N 2 0 240.351 0.165 20 0 BCADRP CCNC(=[NH2+])NCC[N@@H+]1CCC[C@H](C)C1 ZINC000848987620 582818144 /nfs/dbraw/zinc/81/81/44/582818144.db2.gz LDROQICYXVWCRO-JTQLQIEISA-N 2 0 212.341 0.852 20 0 BCADRP CCNC(=[NH2+])NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000848987621 582818660 /nfs/dbraw/zinc/81/86/60/582818660.db2.gz LDROQICYXVWCRO-SNVBAGLBSA-N 2 0 212.341 0.852 20 0 BCADRP COCC[N@H+](C)CCCNC(=[NH2+])N1CCC1 ZINC000848993214 582819612 /nfs/dbraw/zinc/81/96/12/582819612.db2.gz JPOKXPCYBBAGDD-UHFFFAOYSA-N 2 0 228.340 0.185 20 0 BCADRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])N1CCC1 ZINC000849012085 582824464 /nfs/dbraw/zinc/82/44/64/582824464.db2.gz HULDURZHLGTOIU-LLVKDONJSA-N 2 0 242.367 0.573 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH3+])C[NH2+]1 ZINC000892294267 582829132 /nfs/dbraw/zinc/82/91/32/582829132.db2.gz JDJDQQRPAKBTOS-GARJFASQSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892455430 582891585 /nfs/dbraw/zinc/89/15/85/582891585.db2.gz BKMDPAJLXQWUSD-BMQDGWLCSA-N 2 0 240.351 0.341 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000892567885 582916255 /nfs/dbraw/zinc/91/62/55/582916255.db2.gz MZAVCQSNSUCEMK-GWOFURMSSA-N 2 0 240.351 0.293 20 0 BCADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)COC(C)=O)C1 ZINC000892614507 582929849 /nfs/dbraw/zinc/92/98/49/582929849.db2.gz QWBAFPOKXFTCOO-PWSUYJOCSA-N 2 0 228.336 0.869 20 0 BCADRP [NH3+]CCNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000013554951 582993396 /nfs/dbraw/zinc/99/33/96/582993396.db2.gz OTUHVZWKAQUDBG-LLVKDONJSA-N 2 0 246.314 0.113 20 0 BCADRP CCN(C(=O)NCCC(C)(C)[NH3+])[C@@H]1CC[NH2+]C1 ZINC000892846188 582995442 /nfs/dbraw/zinc/99/54/42/582995442.db2.gz KQOCMLGNUUUNCS-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)NCCC(C)(C)[NH3+] ZINC000892850974 582996037 /nfs/dbraw/zinc/99/60/37/582996037.db2.gz QBGBMLMCBKZBAW-QMMMGPOBSA-N 2 0 216.329 0.102 20 0 BCADRP CC(=O)OC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000892947249 583016471 /nfs/dbraw/zinc/01/64/71/583016471.db2.gz ZZJKBSDDGKYXIP-ZYHUDNBSSA-N 2 0 228.336 0.869 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1[NH2+]CC12CCCC2 ZINC000852825691 583018747 /nfs/dbraw/zinc/01/87/47/583018747.db2.gz NSTPSTXPDVOCTE-WDEREUQCSA-N 2 0 237.347 0.387 20 0 BCADRP COc1ccc([C@@H]2C[NH2+]CCN2CCC[NH3+])cc1 ZINC000147044841 583154442 /nfs/dbraw/zinc/15/44/42/583154442.db2.gz CWZIWNDUTOUPEW-AWEZNQCLSA-N 2 0 249.358 0.990 20 0 BCADRP CCn1ncc(CN2CCC([C@H](C)[NH3+])CC2)n1 ZINC000857084406 588886555 /nfs/dbraw/zinc/88/65/55/588886555.db2.gz RRKZQHJLNFNJRA-JTQLQIEISA-N 2 0 237.351 0.857 20 0 BCADRP CCn1ncc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000857084695 588886574 /nfs/dbraw/zinc/88/65/74/588886574.db2.gz XWOVINBMRGDXTD-MNOVXSKESA-N 2 0 237.351 0.857 20 0 BCADRP C[C@@H]1C(=O)N(C)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000893713337 583210740 /nfs/dbraw/zinc/21/07/40/583210740.db2.gz XKMNRHYJSLNIGJ-LLVKDONJSA-N 2 0 239.363 0.491 20 0 BCADRP CCn1ncc(CN2CCC(C[NH3+])CC2)n1 ZINC000857084507 588886367 /nfs/dbraw/zinc/88/63/67/588886367.db2.gz UOPILPMCKFYBTA-UHFFFAOYSA-N 2 0 223.324 0.469 20 0 BCADRP COCCC[N@H+](CCO)CC1CC[NH+](C)CC1 ZINC000893883154 583241209 /nfs/dbraw/zinc/24/12/09/583241209.db2.gz KORRGYBIKHLXJJ-UHFFFAOYSA-N 2 0 244.379 0.659 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)CC1 ZINC000893888572 583243984 /nfs/dbraw/zinc/24/39/84/583243984.db2.gz KCDFASLAQIKBFM-OLZOCXBDSA-N 2 0 224.348 0.642 20 0 BCADRP C[C@@H](NC(=O)NCC[C@H](C)[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000857103980 588887683 /nfs/dbraw/zinc/88/76/83/588887683.db2.gz HNWDTZIUFWGZFL-HBNTYKKESA-N 2 0 242.367 0.411 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000857106739 588888274 /nfs/dbraw/zinc/88/82/74/588888274.db2.gz YLLIGXJKMQUKNA-QWRGUYRKSA-N 2 0 242.367 0.555 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000857107048 588888298 /nfs/dbraw/zinc/88/82/98/588888298.db2.gz JJTYUIWKUAXZQR-JTQLQIEISA-N 2 0 242.367 0.494 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000857106833 588888302 /nfs/dbraw/zinc/88/83/02/588888302.db2.gz BKCGJXBUNDPLDO-QMMMGPOBSA-N 2 0 216.329 0.102 20 0 BCADRP CC[C@H]1CN(C(=O)NCC[C@H](C)[NH3+])CC[C@H]1[NH3+] ZINC000857107231 588888311 /nfs/dbraw/zinc/88/83/11/588888311.db2.gz PEDDMUMYIBCSRV-GARJFASQSA-N 2 0 242.367 0.493 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000857107168 588888313 /nfs/dbraw/zinc/88/83/13/588888313.db2.gz NKDCOOZHWNCTDT-GUBZILKMSA-N 2 0 228.340 0.102 20 0 BCADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ncnn1C ZINC000893963170 583258069 /nfs/dbraw/zinc/25/80/69/583258069.db2.gz AACARRDRWGTTJR-SNVBAGLBSA-N 2 0 237.351 0.808 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N(C)C1CCC([NH3+])CC1 ZINC000857107533 588888593 /nfs/dbraw/zinc/88/85/93/588888593.db2.gz YBWSZQYOQCZUHG-WHXUTIOJSA-N 2 0 242.367 0.635 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC[C@H](C)[NH3+] ZINC000857107359 588888600 /nfs/dbraw/zinc/88/86/00/588888600.db2.gz SLBGVOLSYNJOKA-WDEREUQCSA-N 2 0 244.383 0.739 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000877242996 583304956 /nfs/dbraw/zinc/30/49/56/583304956.db2.gz KHTREEAJRYFYES-MMWGEVLESA-N 2 0 225.336 0.228 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877275253 583306769 /nfs/dbraw/zinc/30/67/69/583306769.db2.gz QVUDEASJTOKKFV-VXGBXAGGSA-N 2 0 237.347 0.481 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877283749 583307080 /nfs/dbraw/zinc/30/70/80/583307080.db2.gz QRYAILNRFQDJGO-GARJFASQSA-N 2 0 237.347 0.337 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877283751 583307466 /nfs/dbraw/zinc/30/74/66/583307466.db2.gz QRYAILNRFQDJGO-HBNTYKKESA-N 2 0 237.347 0.337 20 0 BCADRP CC[NH2+]CC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000841848574 583361921 /nfs/dbraw/zinc/36/19/21/583361921.db2.gz MZNKGQWUURUXOH-UHFFFAOYSA-N 2 0 233.315 0.880 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000841850543 583388178 /nfs/dbraw/zinc/38/81/78/583388178.db2.gz DPDFCTUGWQAIHE-VXGBXAGGSA-N 2 0 239.363 0.844 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000841850541 583388206 /nfs/dbraw/zinc/38/82/06/583388206.db2.gz DPDFCTUGWQAIHE-NWDGAFQWSA-N 2 0 239.363 0.844 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CC[C@@](F)(CO)C2)CC1 ZINC000894279465 583407525 /nfs/dbraw/zinc/40/75/25/583407525.db2.gz DOLDOXANAHVJSM-LBPRGKRZSA-N 2 0 230.327 0.735 20 0 BCADRP C[NH+](C)CCCCC(=O)NC1CC([NH+](C)C)C1 ZINC000857231064 588896868 /nfs/dbraw/zinc/89/68/68/588896868.db2.gz UJACJVSRQYSDAI-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP O=C1CCN1CN1CCC(n2ccnc2)CC1 ZINC000857232555 588897886 /nfs/dbraw/zinc/89/78/86/588897886.db2.gz FKQGDEZETMSUMU-UHFFFAOYSA-N 2 0 234.303 0.710 20 0 BCADRP C[C@@H]1CCN(C(=O)C[C@H]([NH3+])C2CC2)C[C@@H]1C[NH3+] ZINC000841856935 583435900 /nfs/dbraw/zinc/43/59/00/583435900.db2.gz QOWXSQAGCQMXAN-USWWRNFRSA-N 2 0 239.363 0.557 20 0 BCADRP CC(=O)N[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000894973553 583561744 /nfs/dbraw/zinc/56/17/44/583561744.db2.gz UMQUOSJBTUOCBM-CYBMUJFWSA-N 2 0 239.363 0.539 20 0 BCADRP Cc1cc(N)nc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)[nH+]1 ZINC000895021697 583569604 /nfs/dbraw/zinc/56/96/04/583569604.db2.gz IMJGWKCJCCDHOU-WDEREUQCSA-N 2 0 247.346 0.898 20 0 BCADRP CN(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C1CC([NH3+])C1 ZINC000334954704 583597405 /nfs/dbraw/zinc/59/74/05/583597405.db2.gz DLMFKDGGVTTZIH-QPBDYMMBSA-N 2 0 240.351 0.387 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417799855 583612539 /nfs/dbraw/zinc/61/25/39/583612539.db2.gz RXIUWCZCXBQLAG-QWRGUYRKSA-N 2 0 241.379 0.736 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000669518409 583631061 /nfs/dbraw/zinc/63/10/61/583631061.db2.gz YUSBPXYKKUYIJC-DCAQKATOSA-N 2 0 245.342 0.533 20 0 BCADRP COCCOC[C@@H](C)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895429910 583669066 /nfs/dbraw/zinc/66/90/66/583669066.db2.gz YWMAHKREDZZBCK-NEPJUHHUSA-N 2 0 232.368 0.968 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CCc3nn[nH]c3C2)CC1 ZINC000895473855 583679338 /nfs/dbraw/zinc/67/93/38/583679338.db2.gz SVDPKMUQLCVITF-UHFFFAOYSA-N 2 0 235.335 0.505 20 0 BCADRP CCn1nncc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000895545738 583689360 /nfs/dbraw/zinc/68/93/60/583689360.db2.gz ODPOKCGHMJIZTA-UHFFFAOYSA-N 2 0 237.351 0.729 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000896667630 583821904 /nfs/dbraw/zinc/82/19/04/583821904.db2.gz JOVSNKZHUWBVRA-SRVKXCTJSA-N 2 0 239.363 0.680 20 0 BCADRP Cc1nc(CNC(=O)C[N@@H+](C)C(C)C)[nH]c1C ZINC000896924058 583858758 /nfs/dbraw/zinc/85/87/58/583858758.db2.gz UACCMFYPFVYZHG-UHFFFAOYSA-N 2 0 238.335 0.983 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870946425 583932175 /nfs/dbraw/zinc/93/21/75/583932175.db2.gz HJIUZRJTKDZXSA-RKVXJDFWSA-N 2 0 225.336 0.371 20 0 BCADRP O[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000872141059 583947814 /nfs/dbraw/zinc/94/78/14/583947814.db2.gz JLUAMZFODFUSIP-YVECIDJPSA-N 2 0 240.347 0.353 20 0 BCADRP C[C@@H]([NH3+])CN(C)CCC(=O)Nc1cccnc1 ZINC000863570376 583992991 /nfs/dbraw/zinc/99/29/91/583992991.db2.gz WGJQWZUOKHFLFB-SNVBAGLBSA-N 2 0 236.319 0.689 20 0 BCADRP C[C@@H](CNc1cc[nH+]c(CO)c1)[NH+](C)C ZINC000858363991 588948593 /nfs/dbraw/zinc/94/85/93/588948593.db2.gz BSELNNKIGMPNCF-VIFPVBQESA-N 2 0 209.293 0.936 20 0 BCADRP C[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000897826437 584051818 /nfs/dbraw/zinc/05/18/18/584051818.db2.gz XPIXCAWIOGATKP-GRYCIOLGSA-N 2 0 237.347 0.243 20 0 BCADRP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000897826441 584052078 /nfs/dbraw/zinc/05/20/78/584052078.db2.gz XPIXCAWIOGATKP-UTUOFQBUSA-N 2 0 237.347 0.243 20 0 BCADRP C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC000897896118 584058536 /nfs/dbraw/zinc/05/85/36/584058536.db2.gz NJOJXAFQIBQQHE-JTQLQIEISA-N 2 0 225.336 0.339 20 0 BCADRP CON(C)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858431231 588954164 /nfs/dbraw/zinc/95/41/64/588954164.db2.gz RNKWKGOHUNYDMD-NSHDSACASA-N 2 0 229.368 0.942 20 0 BCADRP C[C@H]1CN(C)C[C@H]1[NH2+]C1CC(CCO)C1 ZINC000898008815 584071285 /nfs/dbraw/zinc/07/12/85/584071285.db2.gz VVPDLKHXYICVID-WNYYMSAVSA-N 2 0 212.337 0.687 20 0 BCADRP C[C@H]([NH2+]C[C@]12C[C@H]1C[NH2+]C2)C1CC[NH2+]CC1 ZINC000873220906 584127241 /nfs/dbraw/zinc/12/72/41/584127241.db2.gz WFRKRRNAQURMKD-WCFLWFBJSA-N 3 0 223.364 0.574 20 0 BCADRP C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)C1C[NH2+]C1 ZINC000873238623 584128081 /nfs/dbraw/zinc/12/80/81/584128081.db2.gz CTHBXYISQRAUDE-WNOCVFFISA-N 2 0 222.332 0.607 20 0 BCADRP C[C@H](C[C@H]1COCCN1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249914 584128102 /nfs/dbraw/zinc/12/81/02/584128102.db2.gz NJBFRJMLWBJZJZ-WYUUTHIRSA-N 2 0 227.352 0.080 20 0 BCADRP C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)C1C[NH2+]C1 ZINC000873238620 584128335 /nfs/dbraw/zinc/12/83/35/584128335.db2.gz CTHBXYISQRAUDE-SNAVQREJSA-N 2 0 222.332 0.607 20 0 BCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC([NH+]2CCCC2)C1 ZINC000898598890 584144699 /nfs/dbraw/zinc/14/46/99/584144699.db2.gz FPPMWUQQIXNJRB-LBPRGKRZSA-N 2 0 237.347 0.387 20 0 BCADRP C[C@H](NC(=[NH2+])NC[C@H]1CC[N@H+](C)C1)C1CC1 ZINC000899266322 584189308 /nfs/dbraw/zinc/18/93/08/584189308.db2.gz RLRUKPITYQIQAP-VHSXEESVSA-N 2 0 224.352 0.851 20 0 BCADRP C(=C1C[NH2+]C1)c1cnn(CC2CC[NH2+]CC2)c1 ZINC000899328546 584197633 /nfs/dbraw/zinc/19/76/33/584197633.db2.gz VCRXYMYIFVHEDX-UHFFFAOYSA-N 2 0 232.331 0.869 20 0 BCADRP Cn1ncc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1C[NH3+] ZINC000899328502 584197638 /nfs/dbraw/zinc/19/76/38/584197638.db2.gz UGWAQNMBVMMGST-ZJUUUORDSA-N 2 0 218.304 0.787 20 0 BCADRP CC(C)[NH+](Cc1cn(CC[NH3+])nn1)C(C)C ZINC000899683033 584224545 /nfs/dbraw/zinc/22/45/45/584224545.db2.gz AZHSWBKERYRDID-UHFFFAOYSA-N 2 0 225.340 0.856 20 0 BCADRP C[C@H]([NH3+])c1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000899742468 584235041 /nfs/dbraw/zinc/23/50/41/584235041.db2.gz XXJJYLBJHXLDMX-UWVGGRQHSA-N 2 0 223.324 0.688 20 0 BCADRP C[NH+]1CCC2(CC[N@@H+]2C[C@@H](O)C2CC2)CC1 ZINC000899909404 584249518 /nfs/dbraw/zinc/24/95/18/584249518.db2.gz BGPWIWWUYIDKBQ-GFCCVEGCSA-N 2 0 224.348 0.927 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CCC12CC[NH+](C)CC2 ZINC000899909635 584250751 /nfs/dbraw/zinc/25/07/51/584250751.db2.gz FWALQQWNWVDECT-LLVKDONJSA-N 2 0 244.404 0.880 20 0 BCADRP C[NH+](C)CCNC(=O)CNc1ccccn1 ZINC000899921021 584252973 /nfs/dbraw/zinc/25/29/73/584252973.db2.gz YLRLEMDZVAXDGV-UHFFFAOYSA-N 2 0 222.292 0.171 20 0 BCADRP C[NH2+][C@@H](C)Cc1noc(C2=CCC[NH2+]CC2)n1 ZINC000900010567 584265626 /nfs/dbraw/zinc/26/56/26/584265626.db2.gz TZAHRETXSSVGTR-VIFPVBQESA-N 2 0 236.319 0.987 20 0 BCADRP C[N@H+](CC(=O)NCC[NH+]1CCCC1)C1CCC1 ZINC000900011569 584266278 /nfs/dbraw/zinc/26/62/78/584266278.db2.gz VGSZDGSWBVEJOA-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP O=C(Cc1c[nH]cn1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000900371975 584298488 /nfs/dbraw/zinc/29/84/88/584298488.db2.gz MDQWDXYVFVBHNM-VIFPVBQESA-N 2 0 234.303 0.305 20 0 BCADRP CC[C@@H](C(=O)N1CCN(C)[C@H](C)[C@H]1C)[NH+](C)C ZINC000901306356 584420088 /nfs/dbraw/zinc/42/00/88/584420088.db2.gz JZCGHJOQKREARC-UTUOFQBUSA-N 2 0 241.379 0.878 20 0 BCADRP CCCOC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000858941914 588986652 /nfs/dbraw/zinc/98/66/52/588986652.db2.gz MNTJDVJAFMJNJE-UHFFFAOYSA-N 2 0 245.367 0.958 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000902334332 584563338 /nfs/dbraw/zinc/56/33/38/584563338.db2.gz DSQBAJJMPGPPKO-QWRGUYRKSA-N 2 0 239.363 0.633 20 0 BCADRP CC(=O)NCCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902337168 584565260 /nfs/dbraw/zinc/56/52/60/584565260.db2.gz ZDMXWDSCZGSJAU-GFCCVEGCSA-N 2 0 241.379 0.880 20 0 BCADRP C[C@@H](CO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361245 584571869 /nfs/dbraw/zinc/57/18/69/584571869.db2.gz OXUYKRLBSYKCMA-VHSXEESVSA-N 2 0 200.326 0.735 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361474 584572538 /nfs/dbraw/zinc/57/25/38/584572538.db2.gz PPRBKVJSTBCABW-WCQYABFASA-N 2 0 244.379 0.752 20 0 BCADRP C[C@@H](CO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361242 584572772 /nfs/dbraw/zinc/57/27/72/584572772.db2.gz OXUYKRLBSYKCMA-UWVGGRQHSA-N 2 0 200.326 0.735 20 0 BCADRP [NH3+]C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000902407821 584574664 /nfs/dbraw/zinc/57/46/64/584574664.db2.gz VMSQUTPSMOZBRS-GRYCIOLGSA-N 2 0 223.364 0.988 20 0 BCADRP [NH3+]C1(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000902410148 584575292 /nfs/dbraw/zinc/57/52/92/584575292.db2.gz OYKVRYVNRDWXSI-MFDAYCCISA-N 2 0 207.321 0.064 20 0 BCADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000902409211 584575600 /nfs/dbraw/zinc/57/56/00/584575600.db2.gz JLHDVYZPUUKRMG-HBNTYKKESA-N 3 0 209.337 0.455 20 0 BCADRP [NH3+]C1(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000902410150 584575861 /nfs/dbraw/zinc/57/58/61/584575861.db2.gz OYKVRYVNRDWXSI-OGBGREFGSA-N 2 0 207.321 0.064 20 0 BCADRP COC[C@H](CO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902380581 584576995 /nfs/dbraw/zinc/57/69/95/584576995.db2.gz AUSMGACOPDAKIE-MNOVXSKESA-N 2 0 230.352 0.362 20 0 BCADRP C[NH2+]CCCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391720 584582715 /nfs/dbraw/zinc/58/27/15/584582715.db2.gz ZGRHNVCJSUAQGS-NSHDSACASA-N 2 0 213.369 0.964 20 0 BCADRP C[C@H](C[NH3+])CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902393237 584583674 /nfs/dbraw/zinc/58/36/74/584583674.db2.gz NXECPNPGETYBMF-GHMZBOCLSA-N 2 0 213.369 0.949 20 0 BCADRP CC1(C)C[NH2+]CC[C@H](NC[C@@H]2C[NH2+]CCO2)C1 ZINC000902394298 584584108 /nfs/dbraw/zinc/58/41/08/584584108.db2.gz UPPZYNJZCZDJJC-RYUDHWBXSA-N 2 0 241.379 0.343 20 0 BCADRP C[N@@H+]1CC[C@H](NCC2([NH3+])CC2)[C@@H]2CCC[C@H]21 ZINC000902403597 584587954 /nfs/dbraw/zinc/58/79/54/584587954.db2.gz ADXBKRRBSLLXCP-SDDRHHMPSA-N 2 0 223.364 0.940 20 0 BCADRP C[C@@H]([NH2+]CC1([NH3+])CC1)C(C)(C)n1cncn1 ZINC000902404202 584588821 /nfs/dbraw/zinc/58/88/21/584588821.db2.gz CTSRTUCLRFGXJT-SECBINFHSA-N 2 0 223.324 0.483 20 0 BCADRP NOCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000902415401 584589696 /nfs/dbraw/zinc/58/96/96/584589696.db2.gz NIFHWAGALBOHQP-SNVBAGLBSA-N 2 0 213.325 0.531 20 0 BCADRP C[C@@H]1C[C@H](NCC2([NH3+])CC2)C[N@@H+]1C1CC1 ZINC000902415583 584589733 /nfs/dbraw/zinc/58/97/33/584589733.db2.gz JILNTKMGHPVPGA-ZJUUUORDSA-N 2 0 209.337 0.693 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCON ZINC000902417690 584590961 /nfs/dbraw/zinc/59/09/61/584590961.db2.gz YQTHWKMJIDGLTP-UWVGGRQHSA-N 2 0 201.314 0.245 20 0 BCADRP C[C@H]([NH2+]CCCON)C1CC[NH+](C)CC1 ZINC000902420292 584592289 /nfs/dbraw/zinc/59/22/89/584592289.db2.gz LNCIHEPWBPSDBV-JTQLQIEISA-N 2 0 215.341 0.587 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCCON)CC[N@@H+]1C ZINC000902420519 584592357 /nfs/dbraw/zinc/59/23/57/584592357.db2.gz XZCMAXTYXXSWEF-NXEZZACHSA-N 2 0 201.314 0.339 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1CCC[C@H]1C[NH3+] ZINC000902442593 584598274 /nfs/dbraw/zinc/59/82/74/584598274.db2.gz JQIPUBOLXVJVNR-DCAQKATOSA-N 2 0 211.353 0.701 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902443089 584598574 /nfs/dbraw/zinc/59/85/74/584598574.db2.gz JYEUYSPYVVGBHB-GMTAPVOTSA-N 2 0 211.353 0.572 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000902444996 584599068 /nfs/dbraw/zinc/59/90/68/584599068.db2.gz PCXSNZCXZOQUQE-MXWKQRLJSA-N 2 0 223.364 0.844 20 0 BCADRP C[C@@H](N[C@H]1C[NH2+]CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000902447529 584604918 /nfs/dbraw/zinc/60/49/18/584604918.db2.gz YWOCETAANTVBSA-VWYCJHECSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902451323 584606654 /nfs/dbraw/zinc/60/66/54/584606654.db2.gz WKKZGSJDROUPKC-VWYCJHECSA-N 2 0 211.353 0.524 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454284 584608472 /nfs/dbraw/zinc/60/84/72/584608472.db2.gz SDOGXZRGJFTHQI-DYOPIPEISA-N 2 0 208.305 0.632 20 0 BCADRP [NH3+][C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454285 584608715 /nfs/dbraw/zinc/60/87/15/584608715.db2.gz SDOGXZRGJFTHQI-HICWFYGMSA-N 2 0 208.305 0.632 20 0 BCADRP C[C@@H](NCC[N@@H+]1CCC(C)(C)C1)C1C[NH2+]C1 ZINC000902455105 584609250 /nfs/dbraw/zinc/60/92/50/584609250.db2.gz IVBLSBYTFKBULT-LLVKDONJSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)[NH2+]2 ZINC000902460028 584610964 /nfs/dbraw/zinc/61/09/64/584610964.db2.gz FNIHHBOLWDCDBK-IXAOELMOSA-N 2 0 235.375 0.998 20 0 BCADRP C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1CCC[NH2+]1 ZINC000902461756 584611234 /nfs/dbraw/zinc/61/12/34/584611234.db2.gz REOKODJWVDYGHC-IYKVGLELSA-N 2 0 209.337 0.609 20 0 BCADRP CC[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000902461195 584611366 /nfs/dbraw/zinc/61/13/66/584611366.db2.gz LVIUPHCZGAVHED-OBPIAQAESA-N 2 0 223.364 1.000 20 0 BCADRP C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1CCC[NH2+]1 ZINC000902461758 584611375 /nfs/dbraw/zinc/61/13/75/584611375.db2.gz REOKODJWVDYGHC-PREPNJAASA-N 2 0 209.337 0.609 20 0 BCADRP C1C[C@@H]2[NH2+][C@H]1C[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000902462388 584612622 /nfs/dbraw/zinc/61/26/22/584612622.db2.gz VNLUXSMFYWQZSE-FDFVQJQPSA-N 3 0 235.375 0.857 20 0 BCADRP C[NH+]1CCC(N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000902464679 584613113 /nfs/dbraw/zinc/61/31/13/584613113.db2.gz BDWQMRZLTBCYIU-QJPTWQEYSA-N 2 0 209.337 0.563 20 0 BCADRP C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000902467672 584614499 /nfs/dbraw/zinc/61/44/99/584614499.db2.gz REOKODJWVDYGHC-KZZRWZIVSA-N 2 0 209.337 0.609 20 0 BCADRP C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000902467673 584614539 /nfs/dbraw/zinc/61/45/39/584614539.db2.gz REOKODJWVDYGHC-LDMBFOFVSA-N 2 0 209.337 0.609 20 0 BCADRP C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1CCC[NH2+]1 ZINC000902467899 584614928 /nfs/dbraw/zinc/61/49/28/584614928.db2.gz REOKODJWVDYGHC-PZWNZHSQSA-N 2 0 209.337 0.609 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902467198 584614983 /nfs/dbraw/zinc/61/49/83/584614983.db2.gz MQQYBHVLISLOTR-YTWAJWBKSA-N 2 0 209.337 0.609 20 0 BCADRP [NH3+][C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C12CCC2 ZINC000902469254 584615432 /nfs/dbraw/zinc/61/54/32/584615432.db2.gz ZYPQELGXKVIKOB-ROHXPCBUSA-N 2 0 221.348 0.739 20 0 BCADRP C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1CCCC[NH2+]1 ZINC000902468843 584615773 /nfs/dbraw/zinc/61/57/73/584615773.db2.gz WTXUJTNNOVOKHJ-FPYNETTCSA-N 2 0 223.364 1.000 20 0 BCADRP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CCOC1 ZINC000902471737 584617572 /nfs/dbraw/zinc/61/75/72/584617572.db2.gz RRHXZXKZHCPTAF-RMPHRYRLSA-N 2 0 210.321 0.894 20 0 BCADRP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CN1C1CC1 ZINC000902490017 584617718 /nfs/dbraw/zinc/61/77/18/584617718.db2.gz QWQYADWYDALIPX-FIQHERPVSA-N 2 0 223.364 0.939 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902490789 584617898 /nfs/dbraw/zinc/61/78/98/584617898.db2.gz VRBDQYCLHCTAOT-DDHJBXDOSA-N 3 0 211.353 0.701 20 0 BCADRP O[C@H](CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC1 ZINC000902501421 584620594 /nfs/dbraw/zinc/62/05/94/584620594.db2.gz BACVHRIWVUHPQI-XADZXUCXSA-N 2 0 236.359 0.733 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000902503865 584621561 /nfs/dbraw/zinc/62/15/61/584621561.db2.gz LNELKRDVMABIFV-QJPTWQEYSA-N 2 0 212.337 0.864 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cnc2n1CCOC2 ZINC000902513170 584623227 /nfs/dbraw/zinc/62/32/27/584623227.db2.gz LOFUKFFYNWZJST-NXEZZACHSA-N 2 0 238.335 0.629 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc2n1CCOC2 ZINC000902513171 584623519 /nfs/dbraw/zinc/62/35/19/584623519.db2.gz LOFUKFFYNWZJST-UWVGGRQHSA-N 2 0 238.335 0.629 20 0 BCADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cnn(C)c1 ZINC000902486915 584625714 /nfs/dbraw/zinc/62/57/14/584625714.db2.gz IELLNHKGMHLOMU-QXEWZRGKSA-N 2 0 208.309 0.808 20 0 BCADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccn(C)n1 ZINC000902486969 584625876 /nfs/dbraw/zinc/62/58/76/584625876.db2.gz IEOPIVHMXFCXCG-GUBZILKMSA-N 2 0 208.309 0.808 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000902487183 584625980 /nfs/dbraw/zinc/62/59/80/584625980.db2.gz JKOFUNPLSSFXBF-GWOFURMSSA-N 3 0 209.337 0.583 20 0 BCADRP COC(=O)N1CCC([NH2+][C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000902487363 584626757 /nfs/dbraw/zinc/62/67/57/584626757.db2.gz TZUNQYNMJZJWJM-HOMQSWHASA-N 2 0 241.335 0.544 20 0 BCADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000902489542 584627275 /nfs/dbraw/zinc/62/72/75/584627275.db2.gz RBMJDPWAGKHHEM-FIQHERPVSA-N 2 0 211.353 0.844 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000902488905 584627604 /nfs/dbraw/zinc/62/76/04/584627604.db2.gz OFDJXQRAILZUOF-DCAQKATOSA-N 3 0 209.337 0.598 20 0 BCADRP C[NH+](C)CCCC[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903083949 584724826 /nfs/dbraw/zinc/72/48/26/584724826.db2.gz RHWPCGUOCWNURG-QWHCGFSZSA-N 2 0 242.363 0.866 20 0 BCADRP C[C@H](C[NH2+][C@H]1CCO[C@@]12CCOC2)C[NH+](C)C ZINC000903174917 584732564 /nfs/dbraw/zinc/73/25/64/584732564.db2.gz PCQOAVXWYSIPCX-FRRDWIJNSA-N 2 0 242.363 0.722 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)CC(C)(C)C[NH3+] ZINC000903425251 584761009 /nfs/dbraw/zinc/76/10/09/584761009.db2.gz YMMGBDUKWSAHDZ-MNOVXSKESA-N 2 0 213.369 0.759 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(C[NH3+])CC1 ZINC000903420977 584763806 /nfs/dbraw/zinc/76/38/06/584763806.db2.gz ITOFYYHYKWPYKL-PWSUYJOCSA-N 3 0 211.353 0.513 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000903422902 584764209 /nfs/dbraw/zinc/76/42/09/584764209.db2.gz MGWJZFPBFWQTHP-RHYQMDGZSA-N 2 0 211.353 0.524 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](C[NH3+])C1 ZINC000903422361 584764314 /nfs/dbraw/zinc/76/43/14/584764314.db2.gz ZWZKNYUDLFAFTO-WOPDTQHZSA-N 2 0 211.353 0.513 20 0 BCADRP C[NH2+]C[C@H]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903423033 584764563 /nfs/dbraw/zinc/76/45/63/584764563.db2.gz NPSFXXQKNQSDSD-UTUOFQBUSA-N 2 0 211.353 0.383 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903425133 584765169 /nfs/dbraw/zinc/76/51/69/584765169.db2.gz UEKHTBCSQZDVSK-WOPDTQHZSA-N 2 0 211.353 0.526 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464690 584766098 /nfs/dbraw/zinc/76/60/98/584766098.db2.gz WHAAIEQRGAZIPQ-FRRDWIJNSA-N 2 0 225.380 0.772 20 0 BCADRP CON1CC[C@H]([NH+]2CCC(CC[NH3+])CC2)C1=O ZINC000903461203 584766363 /nfs/dbraw/zinc/76/63/63/584766363.db2.gz PFBQFGFEDLBSFL-NSHDSACASA-N 2 0 241.335 0.210 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(C[C@H]1CCC[NH2+]1)C2 ZINC000903464503 584766395 /nfs/dbraw/zinc/76/63/95/584766395.db2.gz PTMFHCRNSSCAHM-TUAOUCFPSA-N 2 0 209.337 0.552 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(CC[NH3+])CC1 ZINC000903461009 584766486 /nfs/dbraw/zinc/76/64/86/584766486.db2.gz LVWJJDWNXDJFOL-YPMHNXCESA-N 3 0 225.380 0.903 20 0 BCADRP C(CN1CC[C@@]2(CCC[NH2+]2)C1)OC1CC1 ZINC000903459916 584766499 /nfs/dbraw/zinc/76/64/99/584766499.db2.gz QTDWURGFAXBSRF-LBPRGKRZSA-N 2 0 210.321 0.993 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000903459881 584766504 /nfs/dbraw/zinc/76/65/04/584766504.db2.gz PPKWDBVSPZTUFX-IRCOFANPSA-N 2 0 211.353 0.973 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000903464132 584767205 /nfs/dbraw/zinc/76/72/05/584767205.db2.gz AWLSJNFTNBENKY-MROQNXINSA-N 3 0 223.364 0.655 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000903447327 584770525 /nfs/dbraw/zinc/77/05/25/584770525.db2.gz OKUHIPSJKSECEI-QMVSFRDZSA-N 3 0 237.391 0.901 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000903449858 584771046 /nfs/dbraw/zinc/77/10/46/584771046.db2.gz IWVNRENEQWVBSP-UPJWGTAASA-N 3 0 225.380 0.903 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@H](C[NH3+])C(F)(F)F ZINC000903464563 584771243 /nfs/dbraw/zinc/77/12/43/584771243.db2.gz RNUZOSUMRGYLPL-HRDYMLBCSA-N 2 0 239.285 0.663 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000903450159 584771685 /nfs/dbraw/zinc/77/16/85/584771685.db2.gz NFUSIDFFKXZTPY-RHYQMDGZSA-N 2 0 211.353 0.524 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@H](C[NH3+])C1CC1 ZINC000903452214 584771749 /nfs/dbraw/zinc/77/17/49/584771749.db2.gz JHQQYMTYIYYCJV-ADEWGFFLSA-N 2 0 211.353 0.511 20 0 BCADRP CON1CC[C@H]([N@@H+]2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000903450323 584772054 /nfs/dbraw/zinc/77/20/54/584772054.db2.gz UDKYMXYGYXTGSF-QWRGUYRKSA-N 2 0 241.335 0.210 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@H]3CCC[C@@H](C2)N3)C1 ZINC000903453545 584772809 /nfs/dbraw/zinc/77/28/09/584772809.db2.gz BCGQAWZHDGWSDZ-QNWHQSFQSA-N 2 0 223.364 0.940 20 0 BCADRP C[N@H+](CCN1CCOCC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454906 584773275 /nfs/dbraw/zinc/77/32/75/584773275.db2.gz NKUVMWSNJWKCNR-OLZOCXBDSA-N 2 0 241.379 0.378 20 0 BCADRP COC(=O)[C@H]1C[C@@H]([N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903464659 584773514 /nfs/dbraw/zinc/77/35/14/584773514.db2.gz VJDMRNRMDRHVEW-WYUUTHIRSA-N 2 0 240.347 0.725 20 0 BCADRP COC[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000903456690 584774199 /nfs/dbraw/zinc/77/41/99/584774199.db2.gz IXWFPKSULUJNRC-QNWHQSFQSA-N 2 0 242.363 0.850 20 0 BCADRP CNC(=O)CCC[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457080 584774258 /nfs/dbraw/zinc/77/42/58/584774258.db2.gz MUGCSQLONONTBL-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000903471472 584775203 /nfs/dbraw/zinc/77/52/03/584775203.db2.gz JOXPCUMWVNFELI-GARJFASQSA-N 2 0 227.327 0.561 20 0 BCADRP [NH3+][C@@H]1CC[C@H](CN2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000903475912 584776936 /nfs/dbraw/zinc/77/69/36/584776936.db2.gz HSOYLOYNGQCCNG-LOWDOPEQSA-N 2 0 223.364 0.940 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000903476119 584777108 /nfs/dbraw/zinc/77/71/08/584777108.db2.gz NZXLLCIFILMEQR-YIYPIFLZSA-N 2 0 237.391 0.868 20 0 BCADRP CC(C)C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903481686 584778110 /nfs/dbraw/zinc/77/81/10/584778110.db2.gz JVAZGKGDTQTQNC-WOPDTQHZSA-N 2 0 241.379 0.946 20 0 BCADRP CO[C@@H]1COCC[C@H]1[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903481498 584778176 /nfs/dbraw/zinc/77/81/76/584778176.db2.gz DQMRJQVQIWUCKE-YVECIDJPSA-N 2 0 242.363 0.850 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903482921 584778662 /nfs/dbraw/zinc/77/86/62/584778662.db2.gz YQQHHXBSIUILIU-LMLFDSFASA-N 3 0 211.353 0.829 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C[C@H]1CCC[NH2+]1 ZINC000903482863 584778857 /nfs/dbraw/zinc/77/88/57/584778857.db2.gz WFTDOAAPRZLJTC-VXGBXAGGSA-N 2 0 211.353 0.812 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1CC[NH3+] ZINC000903494307 584780923 /nfs/dbraw/zinc/78/09/23/584780923.db2.gz BOAAAEKTUWGPDE-JHJVBQTASA-N 3 0 225.380 0.903 20 0 BCADRP CCOC(=O)CCN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903557453 584782751 /nfs/dbraw/zinc/78/27/51/584782751.db2.gz OHSDBBALVABBEC-SECBINFHSA-N 2 0 214.309 0.609 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903716542 584791629 /nfs/dbraw/zinc/79/16/29/584791629.db2.gz OPTYMLYEQAUGHK-XQQFMLRXSA-N 3 0 239.363 0.036 20 0 BCADRP [NH3+]C[C@@H]1CCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903716413 584791768 /nfs/dbraw/zinc/79/17/68/584791768.db2.gz MOGABGYLDVHWRL-NWDGAFQWSA-N 2 0 211.353 0.657 20 0 BCADRP CN(C[C@@H]1CCCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000903716786 584791788 /nfs/dbraw/zinc/79/17/88/584791788.db2.gz SAHLSESGEYQWGU-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000903717270 584792406 /nfs/dbraw/zinc/79/24/06/584792406.db2.gz MCBKLJQNNCPGRI-RVMXOQNASA-N 2 0 242.363 0.753 20 0 BCADRP [NH3+]C[C@H]1CCCN1C[C@H]1CCCC[NH2+]C1 ZINC000903717571 584792558 /nfs/dbraw/zinc/79/25/58/584792558.db2.gz SCQDYJXGQMIJJT-NWDGAFQWSA-N 2 0 211.353 0.799 20 0 BCADRP CO[C@@H]1CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903731801 584792694 /nfs/dbraw/zinc/79/26/94/584792694.db2.gz CRXQWCKDSUGDSR-UPJWGTAASA-N 2 0 240.347 0.476 20 0 BCADRP C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H]1CCOC1 ZINC000903729719 584792982 /nfs/dbraw/zinc/79/29/82/584792982.db2.gz RHFQPHXWUQSNFW-AGIUHOORSA-N 2 0 240.347 0.476 20 0 BCADRP CO[C@@H]1CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903731794 584793250 /nfs/dbraw/zinc/79/32/50/584793250.db2.gz CRXQWCKDSUGDSR-FRRDWIJNSA-N 2 0 240.347 0.476 20 0 BCADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCC[NH2+]CC1 ZINC000903713212 584793326 /nfs/dbraw/zinc/79/33/26/584793326.db2.gz IMXNPPGGQFQLOX-STQMWFEESA-N 2 0 239.363 0.050 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903713641 584793740 /nfs/dbraw/zinc/79/37/40/584793740.db2.gz YLZXNIAFYFZMCF-UPJWGTAASA-N 2 0 239.363 0.049 20 0 BCADRP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000903745894 584794313 /nfs/dbraw/zinc/79/43/13/584794313.db2.gz BMEDEAPOWAUYDV-LOWVWBTDSA-N 2 0 240.347 0.856 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1ccccc1CF ZINC000903748947 584794610 /nfs/dbraw/zinc/79/46/10/584794610.db2.gz DRZAHQRIVFGYOR-UHFFFAOYSA-N 2 0 211.284 0.532 20 0 BCADRP CN(C[C@@H]1CCCC[NH2+]C1)C1CC([NH3+])C1 ZINC000903749389 584794920 /nfs/dbraw/zinc/79/49/20/584794920.db2.gz KIGUBBWHNWNPDA-VOMCLLRMSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]1CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000903752698 584795495 /nfs/dbraw/zinc/79/54/95/584795495.db2.gz UGMJRCISYXXQQE-XQHKEYJVSA-N 2 0 239.363 0.034 20 0 BCADRP OC[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903753066 584796146 /nfs/dbraw/zinc/79/61/46/584796146.db2.gz ZOMZHRSFTHTGBK-AVGNSLFASA-N 2 0 240.347 0.212 20 0 BCADRP C[C@H]1C[NH2+]CCN1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903744879 584796544 /nfs/dbraw/zinc/79/65/44/584796544.db2.gz YLZXNIAFYFZMCF-AVGNSLFASA-N 2 0 239.363 0.049 20 0 BCADRP C[NH2+]CCCN(C)C[C@@H]1CCCC[NH2+]C1 ZINC000903760345 584797067 /nfs/dbraw/zinc/79/70/67/584797067.db2.gz FQEOZGDYDJHBMC-GFCCVEGCSA-N 2 0 213.369 0.917 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000903763211 584797399 /nfs/dbraw/zinc/79/73/99/584797399.db2.gz INCXSWXBEPAWSJ-KIJLLGNVSA-N 2 0 240.347 0.650 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@H]1CCCC[NH2+]C1 ZINC000903770086 584798181 /nfs/dbraw/zinc/79/81/81/584798181.db2.gz SKOZXAOBXOREFY-LBPRGKRZSA-N 3 0 229.368 0.283 20 0 BCADRP c1ncn([C@@H]2CC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)n1 ZINC000903755423 584798580 /nfs/dbraw/zinc/79/85/80/584798580.db2.gz GYRVHRMEWKGYSM-QWHCGFSZSA-N 2 0 249.362 0.915 20 0 BCADRP C[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000903776551 584799126 /nfs/dbraw/zinc/79/91/26/584799126.db2.gz UNKDGOJKVULRKA-FRRDWIJNSA-N 2 0 225.380 0.903 20 0 BCADRP OC[C@H]1CCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903785488 584800202 /nfs/dbraw/zinc/80/02/02/584800202.db2.gz ZABCUYBIUKSADP-NWDGAFQWSA-N 2 0 212.337 0.833 20 0 BCADRP [NH3+]C[C@@]12CC[C@H]1CCCN2C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000903802346 584801941 /nfs/dbraw/zinc/80/19/41/584801941.db2.gz RYTXBOKXUIQLKT-VOAKCMCISA-N 2 0 241.354 0.890 20 0 BCADRP C[C@@H](O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819913 584803233 /nfs/dbraw/zinc/80/32/33/584803233.db2.gz QCESVXVHSVMBSX-LLVKDONJSA-N 2 0 228.336 0.212 20 0 BCADRP CN(C[C@@H]1C[C@H](F)C[NH2+]1)C1(C[NH3+])CCOCC1 ZINC000903810122 584803524 /nfs/dbraw/zinc/80/35/24/584803524.db2.gz YHLFJHKKMLQUFP-QWRGUYRKSA-N 2 0 245.342 0.126 20 0 BCADRP C[C@]12C[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903827166 584805126 /nfs/dbraw/zinc/80/51/26/584805126.db2.gz PNOQSCQFTVFWKU-NIWXFNQGSA-N 2 0 248.370 0.981 20 0 BCADRP C[C@@H]1CSCCC[N@@H+]1CCOCC[NH3+] ZINC000903830080 584805263 /nfs/dbraw/zinc/80/52/63/584805263.db2.gz SBSHXBONWSRVRL-SNVBAGLBSA-N 2 0 218.366 0.789 20 0 BCADRP CO[C@@H]1CC[C@H]1[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903829599 584805471 /nfs/dbraw/zinc/80/54/71/584805471.db2.gz IDNPGNGKQBRHPT-QJPTWQEYSA-N 2 0 240.347 0.474 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCOC[C@@H]2CCO)C1 ZINC000903830195 584805765 /nfs/dbraw/zinc/80/57/65/584805765.db2.gz VWUZOLPOGUVWRE-TUAOUCFPSA-N 2 0 228.336 0.197 20 0 BCADRP C[C@@H]1CCOCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000903831325 584805772 /nfs/dbraw/zinc/80/57/72/584805772.db2.gz IFCLWJUEOUENPL-GFCCVEGCSA-N 2 0 227.352 0.002 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCOC[C@H]2CCO)C1 ZINC000903830194 584805829 /nfs/dbraw/zinc/80/58/29/584805829.db2.gz VWUZOLPOGUVWRE-QJPTWQEYSA-N 2 0 228.336 0.197 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903863537 584813207 /nfs/dbraw/zinc/81/32/07/584813207.db2.gz NGAAGTSEJWOWSW-ZDUSSCGKSA-N 3 0 223.364 0.814 20 0 BCADRP CCOCC[C@H](O)CN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903864698 584813349 /nfs/dbraw/zinc/81/33/49/584813349.db2.gz VTLQPFWAVUEKFQ-AGIUHOORSA-N 2 0 242.363 0.587 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CCC[C@@]12CC[NH2+]C2 ZINC000903872441 584815295 /nfs/dbraw/zinc/81/52/95/584815295.db2.gz ZRWRCIRXELEROQ-NEPJUHHUSA-N 2 0 209.337 0.566 20 0 BCADRP C[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)CC[C@@H]1[NH3+] ZINC000903873072 584815570 /nfs/dbraw/zinc/81/55/70/584815570.db2.gz FGVYDKQQJFNHMS-VGMNWLOBSA-N 2 0 221.295 0.638 20 0 BCADRP CN(C[C@H]([NH3+])CC(F)F)[C@H]1CC[NH2+]C1 ZINC000903874001 584815765 /nfs/dbraw/zinc/81/57/65/584815765.db2.gz QGPHYAATQRNGAF-SFYZADRCSA-N 2 0 207.268 0.263 20 0 BCADRP C[NH2+][C@@H]1CCCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903874287 584815846 /nfs/dbraw/zinc/81/58/46/584815846.db2.gz XHFFQMYHFAJGAB-DTWKUNHWSA-N 2 0 221.295 0.653 20 0 BCADRP N[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873955 584815906 /nfs/dbraw/zinc/81/59/06/584815906.db2.gz OUYSKULKYSEXDX-FOIKRFTLSA-N 2 0 223.364 0.940 20 0 BCADRP N[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873956 584815914 /nfs/dbraw/zinc/81/59/14/584815914.db2.gz OUYSKULKYSEXDX-HYWTVENDSA-N 2 0 223.364 0.940 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903873285 584816095 /nfs/dbraw/zinc/81/60/95/584816095.db2.gz GIMZPSBMKDLOAO-UWVGGRQHSA-N 2 0 235.322 0.900 20 0 BCADRP CCCN(CCO)C[C@@H]([NH3+])CC(F)F ZINC000903876993 584816439 /nfs/dbraw/zinc/81/64/39/584816439.db2.gz JRRYJAJTSXZTTK-QMMMGPOBSA-N 2 0 210.268 0.673 20 0 BCADRP COC[C@H]1C[NH2+]CCN1CCCCCC[NH3+] ZINC000903881249 584817755 /nfs/dbraw/zinc/81/77/55/584817755.db2.gz PHDXCOSXEWFGEI-GFCCVEGCSA-N 2 0 229.368 0.426 20 0 BCADRP C[C@]1(C2CC2)COCCN1C[C@@H]1C[NH2+]CCO1 ZINC000903881149 584817934 /nfs/dbraw/zinc/81/79/34/584817934.db2.gz FKSHSFIVBGZAKR-QWHCGFSZSA-N 2 0 240.347 0.476 20 0 BCADRP COC[C@H]1C[NH2+]CCN1C[C@H]1CCCC[NH2+]C1 ZINC000903883162 584818475 /nfs/dbraw/zinc/81/84/75/584818475.db2.gz UFSVCIQUUMRSQQ-QWHCGFSZSA-N 2 0 241.379 0.296 20 0 BCADRP CC[C@@H]1C(=O)NCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903882575 584818595 /nfs/dbraw/zinc/81/85/95/584818595.db2.gz OFNCKWUQBYERRL-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1C[C@H](O)C[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903914775 584819278 /nfs/dbraw/zinc/81/92/78/584819278.db2.gz WDSBODRDOHHABI-XYTAGDGMSA-N 2 0 224.348 0.972 20 0 BCADRP CNC(=O)[C@H](C)CN(C)C[C@H]([NH3+])CC(F)F ZINC000903898149 584819698 /nfs/dbraw/zinc/81/96/98/584819698.db2.gz JUMFFIXZGRROPV-HTQZYQBOSA-N 2 0 237.294 0.283 20 0 BCADRP COCC(C)(C)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903899778 584820444 /nfs/dbraw/zinc/82/04/44/584820444.db2.gz UXBHPWLXVZKPHI-SSDOTTSWSA-N 2 0 210.268 0.984 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903906666 584821236 /nfs/dbraw/zinc/82/12/36/584821236.db2.gz XQVABPSJEIYYHP-YIZRAAEISA-N 2 0 219.279 0.120 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@@H]([NH3+])CC(F)F ZINC000903908196 584821812 /nfs/dbraw/zinc/82/18/12/584821812.db2.gz FUSQNSIKRWWQDZ-BBBLOLIVSA-N 2 0 235.322 0.993 20 0 BCADRP [NH3+][C@@H](CN[C@H]1CCC[NH2+]C1)CC(F)F ZINC000903918495 584822236 /nfs/dbraw/zinc/82/22/36/584822236.db2.gz ANEPSSGYEDILQA-SFYZADRCSA-N 2 0 207.268 0.311 20 0 BCADRP C[C@]1(CNC[C@@H]([NH3+])CC(F)F)CCC[NH2+]C1 ZINC000903921008 584823311 /nfs/dbraw/zinc/82/33/11/584823311.db2.gz ZLKKEOHGCZSGBK-ONGXEEELSA-N 2 0 235.322 0.948 20 0 BCADRP COC(=O)C1(C[NH2+]C[C@H]([NH3+])CC(F)F)CC1 ZINC000903925886 584823845 /nfs/dbraw/zinc/82/38/45/584823845.db2.gz IQSSCKCYKIYFNB-SSDOTTSWSA-N 2 0 236.262 0.512 20 0 BCADRP [NH3+][C@H](CN[C@@H]1CCCC[C@H]1[NH3+])CC(F)F ZINC000903929994 584824450 /nfs/dbraw/zinc/82/44/50/584824450.db2.gz PRFABNVIJJEVBA-DJLDLDEBSA-N 2 0 221.295 0.828 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000903933456 584824879 /nfs/dbraw/zinc/82/48/79/584824879.db2.gz RPWPCPBEURMYAS-KKZNHRDASA-N 2 0 233.306 0.782 20 0 BCADRP C[C@@H]1CC[C@@H](NC[C@@H]([NH3+])CC(F)F)C[NH2+]1 ZINC000903936201 584825693 /nfs/dbraw/zinc/82/56/93/584825693.db2.gz ZECKYYLBJJQYAG-HRDYMLBCSA-N 2 0 221.295 0.699 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000903918132 584827002 /nfs/dbraw/zinc/82/70/02/584827002.db2.gz SWZOFWWIYOKEGS-ONGXEEELSA-N 2 0 233.306 0.654 20 0 BCADRP [NH3+][C@H](CNC[C@@H]1CCC[NH2+]1)CC(F)F ZINC000903918020 584827228 /nfs/dbraw/zinc/82/72/28/584827228.db2.gz QIOAGJLMVLFVME-YUMQZZPRSA-N 2 0 207.268 0.311 20 0 BCADRP COC[C@@H]([NH2+]C1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000903960168 584827388 /nfs/dbraw/zinc/82/73/88/584827388.db2.gz YDESOCUDDZHSJX-DGCLKSJQSA-N 2 0 242.363 0.770 20 0 BCADRP FC1(F)CC[NH2+]C[C@H]1CN[C@H]1CCC[NH2+]C1 ZINC000903957732 584827393 /nfs/dbraw/zinc/82/73/93/584827393.db2.gz SZXNSCFHCZCCSG-UWVGGRQHSA-N 2 0 233.306 0.573 20 0 BCADRP [NH3+]Cc1nc2c(s1)CCN([C@H]1CC[NH2+]C1)C2 ZINC000903945059 584829512 /nfs/dbraw/zinc/82/95/12/584829512.db2.gz PNTLNAOZYOAFIU-QMMMGPOBSA-N 2 0 238.360 0.322 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCn3nncc3C2)CC[NH2+]1 ZINC000903951351 584830671 /nfs/dbraw/zinc/83/06/71/584830671.db2.gz WPGQUQMRBSIZJC-NEPJUHHUSA-N 2 0 249.362 0.872 20 0 BCADRP Nc1cc[nH+]c(CNC[C@@]23C[C@@H]2C[NH2+]C3)c1 ZINC000903953122 584831625 /nfs/dbraw/zinc/83/16/25/584831625.db2.gz AFRGAYBARZQEOB-SKDRFNHKSA-N 2 0 218.304 0.363 20 0 BCADRP C1C[C@@H](N[C@H]2C[NH2+]CC3(CCOCC3)C2)C[NH2+]1 ZINC000903970139 584832496 /nfs/dbraw/zinc/83/24/96/584832496.db2.gz QUIGXPODBGGTKT-VXGBXAGGSA-N 2 0 239.363 0.097 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cn(C)nn1 ZINC000903974140 584832752 /nfs/dbraw/zinc/83/27/52/584832752.db2.gz JYHGOKXUKMDPLL-NXEZZACHSA-N 2 0 223.324 0.150 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000903979110 584833144 /nfs/dbraw/zinc/83/31/44/584833144.db2.gz VWTXXEBXXJSAMJ-JHJVBQTASA-N 3 0 225.380 0.964 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@H](N)CC(F)F ZINC000903978607 584833220 /nfs/dbraw/zinc/83/32/20/584833220.db2.gz HSRJTNKBXYHJPI-OPRDCNLKSA-N 2 0 235.322 0.804 20 0 BCADRP CC[N@@H+]1CC[C@@H](N[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000903963862 584833536 /nfs/dbraw/zinc/83/35/36/584833536.db2.gz IANKLUDQANPRPV-FDYHWXHSSA-N 2 0 225.380 0.914 20 0 BCADRP CC(C)([NH3+])CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903982089 584833596 /nfs/dbraw/zinc/83/35/96/584833596.db2.gz KITIWASEUQLYPB-RNFRBKRXSA-N 2 0 225.258 0.545 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CNC[C@H](C)C1 ZINC000903979207 584833672 /nfs/dbraw/zinc/83/36/72/584833672.db2.gz YPWFMLHQAPUHDW-FDYHWXHSSA-N 2 0 225.380 0.820 20 0 BCADRP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903964510 584833867 /nfs/dbraw/zinc/83/38/67/584833867.db2.gz KLOQZDGPXNCBKK-SKDRFNHKSA-N 2 0 236.363 0.982 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000903963877 584833997 /nfs/dbraw/zinc/83/39/97/584833997.db2.gz ILQSPUBYUIFUSO-OPRDCNLKSA-N 2 0 200.351 0.937 20 0 BCADRP COC(=O)C1CCC([NH2+][C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903964693 584834276 /nfs/dbraw/zinc/83/42/76/584834276.db2.gz SWHKQSNCYQPMGU-HBIQZDMRSA-N 2 0 240.347 0.916 20 0 BCADRP COC[C@@H](C)C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903966743 584834347 /nfs/dbraw/zinc/83/43/47/584834347.db2.gz ATJKHLCYMNVPPD-HBNTYKKESA-N 2 0 200.326 0.714 20 0 BCADRP CC[NH+]1CCC(N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903965091 584834598 /nfs/dbraw/zinc/83/45/98/584834598.db2.gz ZTIYDCYFZWMEAW-ZYHUDNBSSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccn(C)c1 ZINC000903968336 584835049 /nfs/dbraw/zinc/83/50/49/584835049.db2.gz SYCMMYBKIQBMFX-PWSUYJOCSA-N 2 0 207.321 0.970 20 0 BCADRP C[C@H]1C[C@H](C[N@@H+]2CCC[C@H](N)C2)CC[NH2+]1 ZINC000903984522 584835326 /nfs/dbraw/zinc/83/53/26/584835326.db2.gz FWGVDFJMGSWUFY-TUAOUCFPSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]1C[NH2+]CCN1Cc1ccc(C[NH3+])cc1 ZINC000904299397 584860001 /nfs/dbraw/zinc/86/00/01/584860001.db2.gz CFWZJSJCCYKXJR-LLVKDONJSA-N 2 0 219.332 0.939 20 0 BCADRP C[NH2+][C@@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904298526 584860396 /nfs/dbraw/zinc/86/03/96/584860396.db2.gz WJWJNICXGJVUFE-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H](C[NH3+])N(C)Cc1ccc(C[NH3+])cc1 ZINC000904299337 584860407 /nfs/dbraw/zinc/86/04/07/584860407.db2.gz BMOPUGSCLMTAHO-JTQLQIEISA-N 2 0 207.321 0.924 20 0 BCADRP C[C@H]1CN(C[C@]2(C)CCC[NH2+]C2)CC[NH2+]1 ZINC000904299426 584860527 /nfs/dbraw/zinc/86/05/27/584860527.db2.gz DDRYOXNYJPTJSW-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP [NH3+]Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000904299804 584860578 /nfs/dbraw/zinc/86/05/78/584860578.db2.gz OSMUJEZOCOFWHM-CYBMUJFWSA-N 3 0 219.332 0.926 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904299757 584860836 /nfs/dbraw/zinc/86/08/36/584860836.db2.gz NOJVIJKVYNKGLC-JBLDHEPKSA-N 3 0 211.353 0.783 20 0 BCADRP [NH3+][C@H]1C[C@@H](CN(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000904300768 584861180 /nfs/dbraw/zinc/86/11/80/584861180.db2.gz AKOFSYJSBNFXQL-UMNHJUIQSA-N 2 0 209.337 0.550 20 0 BCADRP CCCC[N@H+](CCO)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904301899 584861711 /nfs/dbraw/zinc/86/17/11/584861711.db2.gz NXJINGDJJYIQIV-PHIMTYICSA-N 2 0 200.326 0.818 20 0 BCADRP CC[C@@H]1CN(Cc2ccc(N)nn2)CC[C@H]1[NH3+] ZINC000904302679 584861826 /nfs/dbraw/zinc/86/18/26/584861826.db2.gz YAYMRAUKDYULGP-MWLCHTKSSA-N 2 0 235.335 0.618 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(Cc2ccc(C[NH3+])cc2)CCO1 ZINC000904302387 584861836 /nfs/dbraw/zinc/86/18/36/584861836.db2.gz VENAMICYLXNKHT-SMDDNHRTSA-N 3 0 249.358 0.693 20 0 BCADRP CC(C)C(=O)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904303622 584862371 /nfs/dbraw/zinc/86/23/71/584862371.db2.gz AOMBSNGKVFNVFB-TXEJJXNPSA-N 2 0 239.363 0.524 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)C1 ZINC000904314431 584863388 /nfs/dbraw/zinc/86/33/88/584863388.db2.gz XDGGQVVDYRGWDZ-USZNOCQGSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)C1 ZINC000904314432 584863650 /nfs/dbraw/zinc/86/36/50/584863650.db2.gz XDGGQVVDYRGWDZ-WHOHXGKFSA-N 2 0 237.347 0.467 20 0 BCADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCN(C2CC2)C1 ZINC000904316640 584863877 /nfs/dbraw/zinc/86/38/77/584863877.db2.gz RNHVLNHEROQOLC-LOWVWBTDSA-N 2 0 223.364 0.892 20 0 BCADRP CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](C)CS(C)(=O)=O ZINC000904321319 584864079 /nfs/dbraw/zinc/86/40/79/584864079.db2.gz WKXLAZVJZDWMLV-MXWKQRLJSA-N 2 0 248.392 0.479 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@H+](CCO)Cc2cccnc2)C1 ZINC000904316594 584864206 /nfs/dbraw/zinc/86/42/06/584864206.db2.gz QIMNWWFOFIDHPH-BETUJISGSA-N 2 0 235.331 0.613 20 0 BCADRP CNC(=O)[C@@H](C)C[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904327017 584865124 /nfs/dbraw/zinc/86/51/24/584865124.db2.gz XAFSXECOFIQRFC-WCQYABFASA-N 2 0 241.379 0.690 20 0 BCADRP CNC(=O)[C@H](C)C[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904327018 584865178 /nfs/dbraw/zinc/86/51/78/584865178.db2.gz XAFSXECOFIQRFC-YPMHNXCESA-N 2 0 241.379 0.690 20 0 BCADRP CNC(=O)CCC[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325216 584865293 /nfs/dbraw/zinc/86/52/93/584865293.db2.gz SWMIHTFVIJXURP-AOOOYVTPSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)C1 ZINC000904328432 584865354 /nfs/dbraw/zinc/86/53/54/584865354.db2.gz OPDJIASKRCDTBN-QNWHQSFQSA-N 2 0 240.347 0.604 20 0 BCADRP CCOCCO[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904327237 584865571 /nfs/dbraw/zinc/86/55/71/584865571.db2.gz ACJKERYFCPGULR-XQQFMLRXSA-N 2 0 242.363 0.851 20 0 BCADRP NC(=O)C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904325997 584865628 /nfs/dbraw/zinc/86/56/28/584865628.db2.gz BGEMYYJTUAAVQX-GARJFASQSA-N 2 0 225.336 0.311 20 0 BCADRP CC(=O)N1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C(C)(C)C1 ZINC000904329681 584866023 /nfs/dbraw/zinc/86/60/23/584866023.db2.gz QLEKFDKUVIUQEO-TXEJJXNPSA-N 2 0 239.363 0.666 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@H](C(F)F)C2)C1 ZINC000904338840 584866204 /nfs/dbraw/zinc/86/62/04/584866204.db2.gz WEBCQTDPAWFDTI-YIZRAAEISA-N 2 0 220.263 0.690 20 0 BCADRP C[NH+](C)[C@H]1CCCN(Cc2ccc(N)nn2)CC1 ZINC000904340115 584866830 /nfs/dbraw/zinc/86/68/30/584866830.db2.gz CXXSYRSRFVIJSS-LBPRGKRZSA-N 2 0 249.362 0.975 20 0 BCADRP CC(C)(C)[C@H](CO)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341076 584867527 /nfs/dbraw/zinc/86/75/27/584867527.db2.gz OYAICODUSXHBNG-AEJSXWLSSA-N 2 0 200.326 0.720 20 0 BCADRP C[C@@H]1[C@@H](C)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000904345657 584868310 /nfs/dbraw/zinc/86/83/10/584868310.db2.gz IGDKWMGYZHPLQK-KKOKHZNYSA-N 2 0 211.353 0.748 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@]23CCOC3=O)C1 ZINC000904348257 584868497 /nfs/dbraw/zinc/86/84/97/584868497.db2.gz OMFVSZSHQKRFPY-UMNHJUIQSA-N 2 0 224.304 0.505 20 0 BCADRP CN(C[C@@]1(C)CCC[NH2+]C1)C1CC([NH3+])C1 ZINC000904349542 584869128 /nfs/dbraw/zinc/86/91/28/584869128.db2.gz AGVGRAJNITZJFK-MCIGGMRASA-N 2 0 211.353 0.798 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000904350549 584869191 /nfs/dbraw/zinc/86/91/91/584869191.db2.gz MFXJOFFXIXPEOT-TXEJJXNPSA-N 3 0 223.364 0.799 20 0 BCADRP C[NH2+]CCNC[C@@H]([NH3+])CCC(C)(C)C ZINC000904353435 584869722 /nfs/dbraw/zinc/86/97/22/584869722.db2.gz MSYRYVDONZXHPK-JTQLQIEISA-N 2 0 201.358 0.949 20 0 BCADRP C[NH2+]CCNC[C@H]([NH3+])CCC(C)(C)C ZINC000904353436 584869867 /nfs/dbraw/zinc/86/98/67/584869867.db2.gz MSYRYVDONZXHPK-SNVBAGLBSA-N 2 0 201.358 0.949 20 0 BCADRP [NH3+]CC1CC([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000904354320 584870203 /nfs/dbraw/zinc/87/02/03/584870203.db2.gz FPMROENXWXBPMN-VQXHTEKXSA-N 3 0 209.337 0.455 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC000904354283 584870242 /nfs/dbraw/zinc/87/02/42/584870242.db2.gz DKXHFJOEMKNENF-UWVGGRQHSA-N 2 0 207.321 0.971 20 0 BCADRP Nc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)nn1 ZINC000904354205 584870295 /nfs/dbraw/zinc/87/02/95/584870295.db2.gz CWMATPCNAVNNHH-XYPYZODXSA-N 2 0 249.362 0.914 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NCc1ccc(C[NH3+])cc1 ZINC000904354282 584870344 /nfs/dbraw/zinc/87/03/44/584870344.db2.gz DKXHFJOEMKNENF-NXEZZACHSA-N 2 0 207.321 0.971 20 0 BCADRP C[C@@]1(C[NH2+]C2CC(C[NH3+])C2)CCC[NH2+]C1 ZINC000904355001 584870678 /nfs/dbraw/zinc/87/06/78/584870678.db2.gz JMCRESOHUTZIFE-HTAVTVPLSA-N 3 0 211.353 0.703 20 0 BCADRP Nc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)nn1 ZINC000904354835 584870680 /nfs/dbraw/zinc/87/06/80/584870680.db2.gz JNOYYZNXJYQWFO-RKDXNWHRSA-N 2 0 221.308 0.276 20 0 BCADRP [NH3+]Cc1ccc(CNC[C@@H]([NH3+])C2CC2)cc1 ZINC000904355153 584870694 /nfs/dbraw/zinc/87/06/94/584870694.db2.gz KHPKHRIMNMLSLV-CYBMUJFWSA-N 2 0 219.332 0.972 20 0 BCADRP [NH3+]CCN1CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000904355196 584870716 /nfs/dbraw/zinc/87/07/16/584870716.db2.gz LLXURZYDFQYTMJ-LBPRGKRZSA-N 3 0 240.395 0.141 20 0 BCADRP COCC1(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC000904356297 584871223 /nfs/dbraw/zinc/87/12/23/584871223.db2.gz VGDGOLCRXDKZAL-TXEJJXNPSA-N 3 0 241.379 0.330 20 0 BCADRP [NH3+]CC1CC(N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000904355514 584871431 /nfs/dbraw/zinc/87/14/31/584871431.db2.gz SYDZOXROIRQVSW-AMDVSUOASA-N 2 0 219.279 0.311 20 0 BCADRP CCN(C)C(=O)[C@H](C)[NH2+]C1CC(C[NH3+])C1 ZINC000904367619 584872561 /nfs/dbraw/zinc/87/25/61/584872561.db2.gz AMDHDNZZLBOGSC-IDKOKCKLSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H](O)CN1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904368653 584872813 /nfs/dbraw/zinc/87/28/13/584872813.db2.gz LRSVQTZYQMNVRL-QNWHQSFQSA-N 2 0 241.379 0.111 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+]CCCn2ccnc2)C1 ZINC000904367999 584872914 /nfs/dbraw/zinc/87/29/14/584872914.db2.gz MQGDWKUZPGOZNT-PHIMTYICSA-N 2 0 208.309 0.600 20 0 BCADRP Cc1cc(C[NH2+]C2CCN(CC[NH3+])CC2)on1 ZINC000904368462 584872926 /nfs/dbraw/zinc/87/29/26/584872926.db2.gz RUCIMBLVKKYHSK-UHFFFAOYSA-N 2 0 238.335 0.496 20 0 BCADRP CC(C)(C)CC[C@H]([NH3+])CNC[C@@H]1C[NH2+]CCO1 ZINC000904372170 584873042 /nfs/dbraw/zinc/87/30/42/584873042.db2.gz ZAPIMMBLQLKXGI-RYUDHWBXSA-N 2 0 243.395 0.718 20 0 BCADRP C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000904371332 584873052 /nfs/dbraw/zinc/87/30/52/584873052.db2.gz MSEMUFGYVAHBCE-WYUUTHIRSA-N 3 0 211.353 0.640 20 0 BCADRP CCNC(=O)C(C)(C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904371190 584873372 /nfs/dbraw/zinc/87/33/72/584873372.db2.gz KYOVJCOIGFYVKA-DTORHVGOSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1CC[C@@H](C[NH2+]C2CCN(CC[NH3+])CC2)O1 ZINC000904372009 584873395 /nfs/dbraw/zinc/87/33/95/584873395.db2.gz VUUGQKSJVOFGEH-YPMHNXCESA-N 2 0 241.379 0.567 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904374770 584874558 /nfs/dbraw/zinc/87/45/58/584874558.db2.gz WPZKZEXCGLVMJF-MNOVXSKESA-N 3 0 228.384 0.125 20 0 BCADRP CCOC(=O)[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000904388786 584874885 /nfs/dbraw/zinc/87/48/85/584874885.db2.gz BALJVDLUEYSHLS-AAEUAGOBSA-N 2 0 240.347 0.871 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1 ZINC000904377080 584876320 /nfs/dbraw/zinc/87/63/20/584876320.db2.gz JIDFDJWXAXVZDK-WYUUTHIRSA-N 2 0 237.347 0.324 20 0 BCADRP C[NH2+]C[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC000904378449 584876329 /nfs/dbraw/zinc/87/63/29/584876329.db2.gz CXYQROWXGVNSIN-JTQLQIEISA-N 2 0 207.321 0.843 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)C1 ZINC000904377079 584876409 /nfs/dbraw/zinc/87/64/09/584876409.db2.gz JIDFDJWXAXVZDK-WISYIIOYSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)(C)CC[C@@H]([NH3+])CNC[C@@H]1COCC[NH2+]1 ZINC000904380401 584876504 /nfs/dbraw/zinc/87/65/04/584876504.db2.gz BLLJZLAWIGCDLI-VXGBXAGGSA-N 2 0 243.395 0.718 20 0 BCADRP C[C@]12COC[C@@H]1C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904379232 584876509 /nfs/dbraw/zinc/87/65/09/584876509.db2.gz RJFDCPHTXFWEGF-YFKTTZPYSA-N 2 0 210.321 0.692 20 0 BCADRP CC(C)[C@H]([NH3+])CC[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904379441 584876616 /nfs/dbraw/zinc/87/66/16/584876616.db2.gz VCMKCRNJYUVRJL-CYBMUJFWSA-N 3 0 242.411 0.373 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000904380134 584876642 /nfs/dbraw/zinc/87/66/42/584876642.db2.gz IQRQAANOVLTQTI-YFKTTZPYSA-N 3 0 209.337 0.537 20 0 BCADRP C[C@@H]1CC[C@H]([NH2+]C2CCN(CC[NH3+])CC2)CN1 ZINC000904380651 584876756 /nfs/dbraw/zinc/87/67/56/584876756.db2.gz FQQUXOFLGFMBRM-YPMHNXCESA-N 2 0 240.395 0.140 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904380910 584876950 /nfs/dbraw/zinc/87/69/50/584876950.db2.gz PURHTEMACQRENZ-CYBMUJFWSA-N 3 0 243.395 0.544 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000904384543 584877064 /nfs/dbraw/zinc/87/70/64/584877064.db2.gz MHLKPYNGQVEKOW-JBLDHEPKSA-N 3 0 211.353 0.701 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000904384738 584877137 /nfs/dbraw/zinc/87/71/37/584877137.db2.gz MTHCMDRYPJTCLO-QMNVILFCSA-N 2 0 222.332 0.737 20 0 BCADRP C[C@@H]1CN(C[C@@]2(C)CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000904383912 584877195 /nfs/dbraw/zinc/87/71/95/584877195.db2.gz CWWRSAVOJZCHDX-UPJWGTAASA-N 2 0 225.380 0.903 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@]1(C)CCC[NH2+]C1 ZINC000904381707 584877522 /nfs/dbraw/zinc/87/75/22/584877522.db2.gz SBRKRJKIIRUYLS-GFCCVEGCSA-N 3 0 229.368 0.283 20 0 BCADRP CC(C)([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C(=O)N1CCCC1 ZINC000904386037 584877686 /nfs/dbraw/zinc/87/76/86/584877686.db2.gz NIWFMXHKJIAZNQ-PHIMTYICSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]CC1CC([NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)C1 ZINC000904385150 584877910 /nfs/dbraw/zinc/87/79/10/584877910.db2.gz SWXLUAKYGSRJTQ-PZXCLMDMSA-N 2 0 222.332 0.737 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC[NH3+])CC2)[C@@H](C)O1 ZINC000904385228 584877961 /nfs/dbraw/zinc/87/79/61/584877961.db2.gz VNRSYTUEGWXCJP-NQBHXWOUSA-N 2 0 241.379 0.565 20 0 BCADRP COc1ccccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904399029 584878484 /nfs/dbraw/zinc/87/84/84/584878484.db2.gz XISOXENXNMTERG-UHFFFAOYSA-N 2 0 249.358 0.690 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1C[NH3+] ZINC000904409691 584878871 /nfs/dbraw/zinc/87/88/71/584878871.db2.gz GHLKKASKIGBGAJ-WYUUTHIRSA-N 3 0 211.353 0.640 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CCC[C@@]([NH3+])(CO)C1 ZINC000904407127 584879008 /nfs/dbraw/zinc/87/90/08/584879008.db2.gz NTHMGHOQJZFJAV-NEPJUHHUSA-N 2 0 229.368 0.003 20 0 BCADRP Nc1ncc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)s1 ZINC000904407273 584879025 /nfs/dbraw/zinc/87/90/25/584879025.db2.gz SCKSREYESREWAC-MRVPVSSYSA-N 2 0 226.349 0.896 20 0 BCADRP [NH3+]Cc1ccc(CN2CCC[C@]([NH3+])(CO)C2)cc1 ZINC000904407270 584879035 /nfs/dbraw/zinc/87/90/35/584879035.db2.gz RVHDDJKNOOFQAA-CQSZACIVSA-N 2 0 249.358 0.431 20 0 BCADRP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000904410960 584879059 /nfs/dbraw/zinc/87/90/59/584879059.db2.gz RWSVXDQUECZGPO-JHJVBQTASA-N 3 0 225.380 0.903 20 0 BCADRP C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)CC[C@@H]1C[NH3+] ZINC000904411311 584879619 /nfs/dbraw/zinc/87/96/19/584879619.db2.gz UKCLOKJQJZMKRN-OPRDCNLKSA-N 2 0 235.322 0.886 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000876515863 584885494 /nfs/dbraw/zinc/88/54/94/584885494.db2.gz ZCZUGERFVXNVED-GMTAPVOTSA-N 2 0 239.363 0.700 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876508292 584885498 /nfs/dbraw/zinc/88/54/98/584885498.db2.gz XZMMAFBIPWFWSQ-WZRBSPASSA-N 2 0 237.347 0.387 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000876519724 584885563 /nfs/dbraw/zinc/88/55/63/584885563.db2.gz LSJLHWHQBGCQCM-VWYCJHECSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H]1C ZINC000876831776 584887602 /nfs/dbraw/zinc/88/76/02/584887602.db2.gz KATLHFNFMJPNSF-FIQHERPVSA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000876924693 584888017 /nfs/dbraw/zinc/88/80/17/584888017.db2.gz QDCQJHCWXFVOPG-WCQYABFASA-N 2 0 235.331 0.388 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000876933889 584888045 /nfs/dbraw/zinc/88/80/45/584888045.db2.gz ABKRUXHWMDYCEX-KKZNHRDASA-N 2 0 213.325 0.371 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)CCCCC[NH3+] ZINC000877102418 584889951 /nfs/dbraw/zinc/88/99/51/584889951.db2.gz HQQVETQJKVGAFU-VIFPVBQESA-N 2 0 201.314 0.311 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000877102345 584889971 /nfs/dbraw/zinc/88/99/71/584889971.db2.gz FUDNDFAKZHQRGD-VHSXEESVSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877106041 584890195 /nfs/dbraw/zinc/89/01/95/584890195.db2.gz OSGUMBKDFMXROQ-NXEZZACHSA-N 2 0 215.341 0.556 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877171216 584891275 /nfs/dbraw/zinc/89/12/75/584891275.db2.gz BTSWQRYVNUSPJD-WGBDABJCSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884022756 584897956 /nfs/dbraw/zinc/89/79/56/584897956.db2.gz POMDQKVUKINTAN-IUCAKERBSA-N 2 0 213.325 0.086 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884027379 584901875 /nfs/dbraw/zinc/90/18/75/584901875.db2.gz AAQIVUFNCJAZHJ-MNOVXSKESA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884027381 584901991 /nfs/dbraw/zinc/90/19/91/584901991.db2.gz AAQIVUFNCJAZHJ-WDEREUQCSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000834608861 584914132 /nfs/dbraw/zinc/91/41/32/584914132.db2.gz YGEITAZJDPHBIC-JQWIXIFHSA-N 2 0 235.331 0.930 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)CC[C@H]1[NH3+] ZINC000884033784 584938490 /nfs/dbraw/zinc/93/84/90/584938490.db2.gz SZJXGSMZWSTLLT-IEBDPFPHSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)CC[C@H]1[NH3+] ZINC000884033783 584938580 /nfs/dbraw/zinc/93/85/80/584938580.db2.gz SZJXGSMZWSTLLT-FBIMIBRVSA-N 2 0 225.336 0.310 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884043377 584940327 /nfs/dbraw/zinc/94/03/27/584940327.db2.gz UUGWBTIOBPXFGB-WDEREUQCSA-N 2 0 227.352 0.748 20 0 BCADRP COC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CC1 ZINC000361891275 584948556 /nfs/dbraw/zinc/94/85/56/584948556.db2.gz HBXNBRCUPSFNDS-GFCCVEGCSA-N 2 0 242.363 0.458 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884359287 584951386 /nfs/dbraw/zinc/95/13/86/584951386.db2.gz HBVKBUWXDKBMOQ-SFGNSQDASA-N 2 0 225.336 0.369 20 0 BCADRP Cc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)nc(N)[nH+]1 ZINC000742415272 585126181 /nfs/dbraw/zinc/12/61/81/585126181.db2.gz AYTWLWTWTLNNNH-NSHDSACASA-N 2 0 245.330 0.818 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1CCN1CCCNC(=O)C1 ZINC000760830466 585398230 /nfs/dbraw/zinc/39/82/30/585398230.db2.gz GZQJZQZTEOQILO-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH+](C)CCCCNC(=O)C1([NH+](C)C)CCC1 ZINC000763043452 585442182 /nfs/dbraw/zinc/44/21/82/585442182.db2.gz HFSZYVHBQIMLDN-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP C[N@H+](CC1CC[NH+](C)CC1)Cn1cnnc1 ZINC000776759182 585704194 /nfs/dbraw/zinc/70/41/94/585704194.db2.gz ZVLHAQDPBQJQKG-UHFFFAOYSA-N 2 0 223.324 0.509 20 0 BCADRP C[C@H](CCO)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000779341460 585751841 /nfs/dbraw/zinc/75/18/41/585751841.db2.gz HWUNDEWRINTJIE-MNOVXSKESA-N 2 0 212.337 0.831 20 0 BCADRP C[C@H](CCO)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000779401726 585753317 /nfs/dbraw/zinc/75/33/17/585753317.db2.gz CJPXSXNBRBDJOS-GFCCVEGCSA-N 2 0 243.395 0.373 20 0 BCADRP COCCC[NH+]1CCC([NH2+][C@@H](C)CCO)CC1 ZINC000779401797 585753406 /nfs/dbraw/zinc/75/34/06/585753406.db2.gz YIXSXRKSVXZXHM-LBPRGKRZSA-N 2 0 244.379 0.848 20 0 BCADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)CCO ZINC000779405333 585753589 /nfs/dbraw/zinc/75/35/89/585753589.db2.gz WTPBFGJWYSQXQP-VXGBXAGGSA-N 2 0 232.368 0.704 20 0 BCADRP Cc1cc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)nc(N)[nH+]1 ZINC000785836788 585881755 /nfs/dbraw/zinc/88/17/55/585881755.db2.gz GFJFGWLPPMNALB-NXEZZACHSA-N 2 0 235.335 0.896 20 0 BCADRP CC[C@@H](N[C@@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH2+]1 ZINC000817890561 586831836 /nfs/dbraw/zinc/83/18/36/586831836.db2.gz UEWBPICAVKRKGB-UTUOFQBUSA-N 2 0 211.353 0.811 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCN(C)C1 ZINC000817890314 586832358 /nfs/dbraw/zinc/83/23/58/586832358.db2.gz RTRNBQWFCPFDKG-GRYCIOLGSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@@H](N[C@@H]1CC[N@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000817890757 586832521 /nfs/dbraw/zinc/83/25/21/586832521.db2.gz YMMVWWHRWSOOEM-IJLUTSLNSA-N 2 0 211.353 0.811 20 0 BCADRP CC(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000817906362 586837604 /nfs/dbraw/zinc/83/76/04/586837604.db2.gz YQEXRAIZUIPZJI-HBNTYKKESA-N 2 0 200.326 0.863 20 0 BCADRP C[C@H]([NH2+][C@@H](CCO)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000817919704 586840521 /nfs/dbraw/zinc/84/05/21/586840521.db2.gz UIRZQRIBHWZMGN-DLOVCJGASA-N 2 0 212.337 0.878 20 0 BCADRP CN(C(=O)C[NH2+]C1CC1)C1CCC([NH3+])CC1 ZINC000818528736 586897960 /nfs/dbraw/zinc/89/79/60/586897960.db2.gz IICSZHLSTSDEMO-UHFFFAOYSA-N 2 0 225.336 0.467 20 0 BCADRP CC[NH2+]CC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000818559698 586900771 /nfs/dbraw/zinc/90/07/71/586900771.db2.gz IPSBYJRKIOAERR-UHFFFAOYSA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cccc(C[NH3+])c2)C1 ZINC000818565126 586901822 /nfs/dbraw/zinc/90/18/22/586901822.db2.gz PIZHLBZDYJMJBC-GXFFZTMASA-N 2 0 247.342 0.955 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cccc(C[NH3+])c2)C1 ZINC000818565128 586902290 /nfs/dbraw/zinc/90/22/90/586902290.db2.gz PIZHLBZDYJMJBC-MFKMUULPSA-N 2 0 247.342 0.955 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000818594478 586904959 /nfs/dbraw/zinc/90/49/59/586904959.db2.gz HRWVPDMMRQEJGE-SECBINFHSA-N 2 0 213.325 0.100 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000818604848 586905220 /nfs/dbraw/zinc/90/52/20/586905220.db2.gz MEPFRLZTYRWOCQ-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000818604840 586905395 /nfs/dbraw/zinc/90/53/95/586905395.db2.gz MEPFRLZTYRWOCQ-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000818604850 586905623 /nfs/dbraw/zinc/90/56/23/586905623.db2.gz MEPFRLZTYRWOCQ-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP O[C@H](C[NH2+]CCCC[NH+]1CCOCC1)C1CC1 ZINC000818961518 586918152 /nfs/dbraw/zinc/91/81/52/586918152.db2.gz RBAYNICEQZOJPW-CYBMUJFWSA-N 2 0 242.363 0.459 20 0 BCADRP C[NH+]1CC2(C1)CCN(C(=O)C[NH+]1CCCC1)C2 ZINC000822461635 587169177 /nfs/dbraw/zinc/16/91/77/587169177.db2.gz CHWLDMAGYVIRCQ-UHFFFAOYSA-N 2 0 237.347 0.246 20 0 BCADRP C[C@H](C(=O)N1CC[N@H+](C)C(C)(C)CC1)[NH+](C)C ZINC000825349690 587316643 /nfs/dbraw/zinc/31/66/43/587316643.db2.gz GUXAOUSCLLUYCP-LLVKDONJSA-N 2 0 241.379 0.879 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1[NH2+]CC1(C)C)C(C)C ZINC000828318673 587434620 /nfs/dbraw/zinc/43/46/20/587434620.db2.gz UFKCARBPSQGPJY-NSHDSACASA-N 2 0 241.379 0.831 20 0 BCADRP C[C@H]1C[N@H+](CCO)CCN1c1cc[nH+]cc1 ZINC000829577834 587504496 /nfs/dbraw/zinc/50/44/96/587504496.db2.gz QNXTZNYVDVGUMG-NSHDSACASA-N 2 0 221.304 0.584 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)Cc2ncc[nH]2)C[N@@H+]1C1CC1 ZINC000829864000 587526218 /nfs/dbraw/zinc/52/62/18/587526218.db2.gz UZQGRJGWASYZRT-NXEZZACHSA-N 2 0 248.330 0.694 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000830171733 587540203 /nfs/dbraw/zinc/54/02/03/587540203.db2.gz VKOCWGZBEGZLAW-NSHDSACASA-N 2 0 231.315 0.192 20 0 BCADRP C[C@@H](NC(=O)NCCCCCC[NH3+])[C@H](C)[NH3+] ZINC000831196952 587591493 /nfs/dbraw/zinc/59/14/93/587591493.db2.gz HFZQGQCIPODOIR-VHSXEESVSA-N 2 0 230.356 0.540 20 0 BCADRP C[C@H]1CN(C(=O)NCCCCCC[NH3+])CC[NH2+]1 ZINC000831290585 587595943 /nfs/dbraw/zinc/59/59/43/587595943.db2.gz CWCCLXMORQWSSU-NSHDSACASA-N 2 0 242.367 0.509 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)C1CC1 ZINC000831860500 587634763 /nfs/dbraw/zinc/63/47/63/587634763.db2.gz VAOUFIKLVUJUOP-PWSUYJOCSA-N 2 0 243.326 0.144 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831970496 587639893 /nfs/dbraw/zinc/63/98/93/587639893.db2.gz HKTOYUYZSLSCDS-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000831970263 587640662 /nfs/dbraw/zinc/64/06/62/587640662.db2.gz BDRQPXUHIKFDKW-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000831970395 587640674 /nfs/dbraw/zinc/64/06/74/587640674.db2.gz FYXCRZLRRPBKLA-BDAKNGLRSA-N 2 0 249.305 0.569 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)CC1([NH3+])CCC1 ZINC000831970405 587640700 /nfs/dbraw/zinc/64/07/00/587640700.db2.gz GBNZTTYDJVUGJF-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000831970414 587640841 /nfs/dbraw/zinc/64/08/41/587640841.db2.gz GKVCSWDILXEXLW-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831971473 587640887 /nfs/dbraw/zinc/64/08/87/587640887.db2.gz YLIAGCPZPZNXIH-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000831992509 587641748 /nfs/dbraw/zinc/64/17/48/587641748.db2.gz FKWVVZRONRASHF-GFCCVEGCSA-N 2 0 245.342 0.488 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000831992510 587641781 /nfs/dbraw/zinc/64/17/81/587641781.db2.gz FKWVVZRONRASHF-LBPRGKRZSA-N 2 0 245.342 0.488 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000832135906 587646080 /nfs/dbraw/zinc/64/60/80/587646080.db2.gz UFUHQKVLJDLSPG-JQWIXIFHSA-N 2 0 243.326 0.098 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000832135904 587646098 /nfs/dbraw/zinc/64/60/98/587646098.db2.gz UFUHQKVLJDLSPG-CMPLNLGQSA-N 2 0 243.326 0.098 20 0 BCADRP CCCCCC[N@H+](C)CC(=O)NCC[NH3+] ZINC000832204728 587650090 /nfs/dbraw/zinc/65/00/90/587650090.db2.gz HTVHJONNDICQAQ-UHFFFAOYSA-N 2 0 215.341 0.573 20 0 BCADRP [NH3+]CCCCCC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000832446325 587660488 /nfs/dbraw/zinc/66/04/88/587660488.db2.gz HLOIWZQLMIMEOY-LLVKDONJSA-N 2 0 227.352 0.621 20 0 BCADRP [NH3+]CCCCCC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000832630459 587670790 /nfs/dbraw/zinc/67/07/90/587670790.db2.gz KFGCRKQYGGKBNP-NSHDSACASA-N 2 0 227.352 0.621 20 0 BCADRP C[C@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000832737096 587681283 /nfs/dbraw/zinc/68/12/83/587681283.db2.gz MFCSSYPTFUCWFL-SRVKXCTJSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)CC[C@H]1[NH3+] ZINC000832737463 587681346 /nfs/dbraw/zinc/68/13/46/587681346.db2.gz VSAQIUNRSLSDJB-IEBDPFPHSA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+]CCCCCCC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000832786597 587689805 /nfs/dbraw/zinc/68/98/05/587689805.db2.gz ZQDNQNIEVVUCME-NSHDSACASA-N 2 0 227.352 0.749 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000832829344 587692880 /nfs/dbraw/zinc/69/28/80/587692880.db2.gz QMOVPPXTJRDWFM-GRZMOONWSA-N 2 0 239.363 0.855 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)c1cccc(C[NH3+])c1 ZINC000834341412 587752627 /nfs/dbraw/zinc/75/26/27/587752627.db2.gz UCWFSDMXIUXSQK-SECBINFHSA-N 2 0 221.304 0.470 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000834448740 587755362 /nfs/dbraw/zinc/75/53/62/587755362.db2.gz WSNKHRQVICDWNM-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000834460347 587755544 /nfs/dbraw/zinc/75/55/44/587755544.db2.gz IJAQAZPOUCAHDQ-LSJOCFKGSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000834582552 587759966 /nfs/dbraw/zinc/75/99/66/587759966.db2.gz SDAMUXYXMVTDTL-UWVGGRQHSA-N 2 0 225.336 0.385 20 0 BCADRP [NH3+][C@@H](CC(=O)N[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000834582184 587760055 /nfs/dbraw/zinc/76/00/55/587760055.db2.gz FLSKMLUJWCETEI-QWRGUYRKSA-N 2 0 225.336 0.372 20 0 BCADRP CCCCCC[N@H+](C)CC(=O)N[C@@H](C)C[NH3+] ZINC000834610910 587760864 /nfs/dbraw/zinc/76/08/64/587760864.db2.gz SQVCFGHUPQDBQJ-NSHDSACASA-N 2 0 229.368 0.962 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000834623106 587761685 /nfs/dbraw/zinc/76/16/85/587761685.db2.gz WJNCYVVAVGHTEJ-VIFPVBQESA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000834640983 587762402 /nfs/dbraw/zinc/76/24/02/587762402.db2.gz CKILKDNDYJGMQK-FBIMIBRVSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000834642170 587762654 /nfs/dbraw/zinc/76/26/54/587762654.db2.gz PXEXUGKHAHVKCF-GWCFXTLKSA-N 2 0 247.342 0.873 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CCCCC[NH3+] ZINC000834657813 587763055 /nfs/dbraw/zinc/76/30/55/587763055.db2.gz WQXGARJANNYYGN-QWRGUYRKSA-N 2 0 227.352 0.762 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)CCCCC[NH3+])CC[NH2+]1 ZINC000834672921 587763480 /nfs/dbraw/zinc/76/34/80/587763480.db2.gz KEFSUWZXDHSSJG-QWRGUYRKSA-N 2 0 227.352 0.762 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000834703517 587764715 /nfs/dbraw/zinc/76/47/15/587764715.db2.gz MGEPQRMSQOLGFG-ZYHUDNBSSA-N 2 0 239.363 0.701 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000834747610 587765501 /nfs/dbraw/zinc/76/55/01/587765501.db2.gz WNBJRNBOSZUFPK-GARJFASQSA-N 2 0 243.326 0.272 20 0 BCADRP [NH3+][C@H](CC(=O)N[C@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000834791656 587767188 /nfs/dbraw/zinc/76/71/88/587767188.db2.gz QZCAQLOKKHQZAM-MNOVXSKESA-N 2 0 237.347 0.372 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)CCCCCC[NH3+] ZINC000834826005 587768009 /nfs/dbraw/zinc/76/80/09/587768009.db2.gz JMLURVCFLAISOJ-SNVBAGLBSA-N 2 0 215.341 0.749 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000834862696 587768808 /nfs/dbraw/zinc/76/88/08/587768808.db2.gz WOBBLDCXTCZECW-SDDRHHMPSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000834862697 587768840 /nfs/dbraw/zinc/76/88/40/587768840.db2.gz WOBBLDCXTCZECW-SRVKXCTJSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000834861330 587768845 /nfs/dbraw/zinc/76/88/45/587768845.db2.gz ILSSAYKFDUTDOB-FBIMIBRVSA-N 2 0 225.336 0.357 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000834858389 587768861 /nfs/dbraw/zinc/76/88/61/587768861.db2.gz QWUOVPOSYQIZPZ-QWRGUYRKSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCC1 ZINC000834865529 587768885 /nfs/dbraw/zinc/76/88/85/587768885.db2.gz FNCWMTSNRYTCHD-ZJUUUORDSA-N 2 0 223.320 0.078 20 0 BCADRP CC1([C@H]2CCC[N@H+](CCC[NH3+])C2)OCCO1 ZINC000841011430 587935295 /nfs/dbraw/zinc/93/52/95/587935295.db2.gz IHPLIQLFDUZPRO-NSHDSACASA-N 2 0 228.336 0.810 20 0 BCADRP [NH3+]CCCNc1ccc2c(c1)C[NH2+]CCO2 ZINC000841083865 587945733 /nfs/dbraw/zinc/94/57/33/587945733.db2.gz ZADPRDJRFXFGBE-UHFFFAOYSA-N 2 0 221.304 0.929 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)[C@]2(F)CC[NH2+]C2)c1 ZINC000841845334 587977109 /nfs/dbraw/zinc/97/71/09/587977109.db2.gz SCCKRNRGUUWAIO-LBPRGKRZSA-N 2 0 237.278 0.785 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C[C@H]([NH3+])C1CC1 ZINC000841848217 587977366 /nfs/dbraw/zinc/97/73/66/587977366.db2.gz CIDCOPMWXSGLRX-MNOVXSKESA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841846168 587977377 /nfs/dbraw/zinc/97/73/77/587977377.db2.gz OYKLVTHYSIMEFN-CYBMUJFWSA-N 2 0 249.358 0.787 20 0 BCADRP [NH3+][C@H](CC(=O)NC[C@H]1CCCC[NH2+]1)C1CC1 ZINC000841845519 587977389 /nfs/dbraw/zinc/97/73/89/587977389.db2.gz BOVANDMRRUTOSH-GHMZBOCLSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CCCCCC[NH3+] ZINC000841848565 587977684 /nfs/dbraw/zinc/97/76/84/587977684.db2.gz MLKOGINKOFQZCR-LLVKDONJSA-N 2 0 229.368 0.995 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000841849033 587977958 /nfs/dbraw/zinc/97/79/58/587977958.db2.gz MSLRUUOHPRFQRB-PWSUYJOCSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)C[C@H]([NH3+])C1CC1 ZINC000841849032 587977964 /nfs/dbraw/zinc/97/79/64/587977964.db2.gz MSLRUUOHPRFQRB-JQWIXIFHSA-N 2 0 227.352 0.603 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000841849146 587978016 /nfs/dbraw/zinc/97/80/16/587978016.db2.gz WRMMUPWADRVLIT-JTQLQIEISA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000841851803 587978483 /nfs/dbraw/zinc/97/84/83/587978483.db2.gz XXJVCQKCBQRKEP-CMPLNLGQSA-N 2 0 243.326 0.418 20 0 BCADRP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H](C)C[NH3+])C1 ZINC000841983146 587988073 /nfs/dbraw/zinc/98/80/73/587988073.db2.gz OARAQQSEQSAXSR-QWRGUYRKSA-N 2 0 242.367 0.506 20 0 BCADRP C[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCCCNC1=O ZINC000842471861 588029293 /nfs/dbraw/zinc/02/92/93/588029293.db2.gz DJBUUVXTCRHWPN-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]CCCCCCC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000842508529 588031775 /nfs/dbraw/zinc/03/17/75/588031775.db2.gz AMVQWEHMKWPJSH-NSHDSACASA-N 2 0 243.351 0.000 20 0 BCADRP [NH3+]CCCCCCC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000842508528 588031995 /nfs/dbraw/zinc/03/19/95/588031995.db2.gz AMVQWEHMKWPJSH-LLVKDONJSA-N 2 0 243.351 0.000 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842512230 588032053 /nfs/dbraw/zinc/03/20/53/588032053.db2.gz ITBWPXXDIGUFJH-GFCCVEGCSA-N 2 0 225.336 0.341 20 0 BCADRP [NH3+]CCCC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842513629 588032102 /nfs/dbraw/zinc/03/21/02/588032102.db2.gz NVIYNHPNQFNPPL-LLVKDONJSA-N 2 0 211.309 0.080 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842513090 588032202 /nfs/dbraw/zinc/03/22/02/588032202.db2.gz RSQXWQJAACEYRS-YPMHNXCESA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@]3(CCC[NH2+]3)C2)CCC1 ZINC000842511146 588032432 /nfs/dbraw/zinc/03/24/32/588032432.db2.gz BCDYDYJBLLCFSM-CYBMUJFWSA-N 2 0 237.347 0.612 20 0 BCADRP [NH3+][C@@H](Cc1nc(C2([NH3+])CCC2)no1)C1CC1 ZINC000842617401 588046147 /nfs/dbraw/zinc/04/61/47/588046147.db2.gz RKDNTWGLJOCUGR-QMMMGPOBSA-N 2 0 222.292 0.687 20 0 BCADRP Cn1nncc1C[NH2+]CCCCCC[NH3+] ZINC000843126235 588084688 /nfs/dbraw/zinc/08/46/88/588084688.db2.gz DVQRXJRNEVEULA-UHFFFAOYSA-N 2 0 211.313 0.424 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000843320840 588099897 /nfs/dbraw/zinc/09/98/97/588099897.db2.gz STHXAXSXOWBXJO-SNVBAGLBSA-N 2 0 227.352 0.701 20 0 BCADRP C[NH2+]CCCC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843328089 588100322 /nfs/dbraw/zinc/10/03/22/588100322.db2.gz WYEZVYMTVLELPR-UHFFFAOYSA-N 2 0 249.358 0.804 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843327823 588100343 /nfs/dbraw/zinc/10/03/43/588100343.db2.gz NMXONCNZYZTITP-JTQLQIEISA-N 2 0 235.331 0.541 20 0 BCADRP C[C@](C[NH3+])(NC(=O)C[C@H]([NH3+])C1CC1)C1CC1 ZINC000843344025 588101457 /nfs/dbraw/zinc/10/14/57/588101457.db2.gz MSPFJLOOXDKMPE-CMPLNLGQSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]CCCCCC[NH3+] ZINC000843343732 588101626 /nfs/dbraw/zinc/10/16/26/588101626.db2.gz XCQLNGJGBGPDDL-VIFPVBQESA-N 2 0 201.314 0.359 20 0 BCADRP C[C@](C[NH3+])(NC(=O)CCCCC[NH3+])C1CC1 ZINC000843344215 588102190 /nfs/dbraw/zinc/10/21/90/588102190.db2.gz XBLVNTWDLWTNBQ-GFCCVEGCSA-N 2 0 227.352 0.749 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CN(CCCCCCC[NH3+])CCO1 ZINC000843356612 588103803 /nfs/dbraw/zinc/10/38/03/588103803.db2.gz YQSNNJPBJHGSGE-OLZOCXBDSA-N 2 0 243.395 0.944 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843452733 588111802 /nfs/dbraw/zinc/11/18/02/588111802.db2.gz XIXPCWZGBOQKKD-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+]CC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000843452622 588111973 /nfs/dbraw/zinc/11/19/73/588111973.db2.gz UPFIJDLJLJWSQQ-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843454761 588112095 /nfs/dbraw/zinc/11/20/95/588112095.db2.gz ULZXFMOMUZHXIJ-UTUOFQBUSA-N 2 0 249.358 0.339 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843476200 588113820 /nfs/dbraw/zinc/11/38/20/588113820.db2.gz CQABLQCRQHIDQL-LBPRGKRZSA-N 2 0 225.336 0.198 20 0 BCADRP CC[NH2+]CC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000843498893 588116244 /nfs/dbraw/zinc/11/62/44/588116244.db2.gz VRXNUGQGKIMIBV-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP CSCC[C@@H]([NH3+])C(=O)NCCCCCC[NH3+] ZINC000843505705 588117288 /nfs/dbraw/zinc/11/72/88/588117288.db2.gz JJUBYRGOGBKPCN-SNVBAGLBSA-N 2 0 247.408 0.702 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000844178064 588171864 /nfs/dbraw/zinc/17/18/64/588171864.db2.gz JOEUEUPFENEAJL-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000844180638 588172429 /nfs/dbraw/zinc/17/24/29/588172429.db2.gz IRXRCDCFDWIPRU-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP CC[NH2+]CC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000844190511 588172904 /nfs/dbraw/zinc/17/29/04/588172904.db2.gz JFHGSKQBXWEJDG-UWVGGRQHSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H](C(=O)NCCCCCC[NH3+])[NH+](C)C ZINC000844200343 588173262 /nfs/dbraw/zinc/17/32/62/588173262.db2.gz QWRJATOEUUNNIY-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP C[C@@H](C(=O)N1CC[C@]2(CCC[NH2+]2)C1)[NH+](C)C ZINC000844199916 588173519 /nfs/dbraw/zinc/17/35/19/588173519.db2.gz YSYCDULEENDQFH-CMPLNLGQSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(CCCCCC[NH3+])CCO1 ZINC000846217739 588260535 /nfs/dbraw/zinc/26/05/35/588260535.db2.gz NWDSLTCQZUBECU-RYUDHWBXSA-N 3 0 229.368 0.554 20 0 BCADRP C[N@H+](CCCCCC[NH3+])CCN1CC[NH2+]CC1 ZINC000846218144 588260698 /nfs/dbraw/zinc/26/06/98/588260698.db2.gz SOJHBKAPBKVEKC-UHFFFAOYSA-N 3 0 242.411 0.343 20 0 BCADRP [NH3+]CCCCCCN1CCO[C@H](C[NH3+])C1 ZINC000846220810 588261073 /nfs/dbraw/zinc/26/10/73/588261073.db2.gz VFMIKJMDUKKLJL-LLVKDONJSA-N 2 0 215.341 0.165 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000846221496 588261410 /nfs/dbraw/zinc/26/14/10/588261410.db2.gz ZGMBGKNHLYDARF-JSGCOSHPSA-N 2 0 249.358 0.841 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000846676164 588282136 /nfs/dbraw/zinc/28/21/36/588282136.db2.gz TUIGEBBGMJMGPA-SNVBAGLBSA-N 2 0 213.325 0.054 20 0 BCADRP O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000848427815 588383552 /nfs/dbraw/zinc/38/35/52/588383552.db2.gz QQXMZOCXSNQWHQ-NRWUCQMLSA-N 2 0 249.358 0.196 20 0 BCADRP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000848427817 588383665 /nfs/dbraw/zinc/38/36/65/588383665.db2.gz QQXMZOCXSNQWHQ-OWTLIXCDSA-N 2 0 249.358 0.196 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCCCC[NH3+])C1 ZINC000848431984 588384234 /nfs/dbraw/zinc/38/42/34/588384234.db2.gz RPZWLURSMMCFIV-TXEJJXNPSA-N 2 0 241.379 0.962 20 0 BCADRP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000848432784 588384423 /nfs/dbraw/zinc/38/44/23/588384423.db2.gz RWHJMIVTRMOGIL-MNOVXSKESA-N 2 0 239.363 0.666 20 0 BCADRP Cn1cc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000848718715 588408564 /nfs/dbraw/zinc/40/85/64/588408564.db2.gz QCBMHDNGKGFCQO-IJLUTSLNSA-N 2 0 238.335 0.313 20 0 BCADRP CCNC(=[NH2+])NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848983604 588424452 /nfs/dbraw/zinc/42/44/52/588424452.db2.gz VQZFYTODDGOUPI-PHIMTYICSA-N 2 0 242.367 0.620 20 0 BCADRP COCCNC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000848983187 588424666 /nfs/dbraw/zinc/42/46/66/588424666.db2.gz VBSYRYXULRRXPY-UHFFFAOYSA-N 2 0 228.340 0.233 20 0 BCADRP CC(C)C[C@H](CNC1=[NH+]C[C@H](C)N1)[NH+](C)C ZINC000848983936 588424785 /nfs/dbraw/zinc/42/47/85/588424785.db2.gz UAMAIYDPBMYUNC-WDEREUQCSA-N 2 0 226.368 0.900 20 0 BCADRP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[NH+]1CCCC1 ZINC000848986537 588425579 /nfs/dbraw/zinc/42/55/79/588425579.db2.gz CYCYAPQVLHVEOA-GHMZBOCLSA-N 2 0 242.367 0.620 20 0 BCADRP C[C@@H](CNC(=[NH2+])N1CCOCC1)[NH+]1CCCC1 ZINC000848986547 588425891 /nfs/dbraw/zinc/42/58/91/588425891.db2.gz DKHLALNICMJSSI-NSHDSACASA-N 2 0 240.351 0.327 20 0 BCADRP CC(C)[N@H+](C)CCCNC(=[NH2+])N(C)C ZINC000848987635 588426479 /nfs/dbraw/zinc/42/64/79/588426479.db2.gz MQHTUDXTZWNMCN-UHFFFAOYSA-N 2 0 200.330 0.803 20 0 BCADRP C[C@H]1CN(C(=[NH2+])NC[C@H]2CC[N@H+](C)C2)CCO1 ZINC000848992787 588427909 /nfs/dbraw/zinc/42/79/09/588427909.db2.gz ULDDBMDUVDGBIO-WDEREUQCSA-N 2 0 240.351 0.183 20 0 BCADRP [NH2+]=C(NCCNc1cc[nH+]cc1)NC1CCC1 ZINC000848995468 588428530 /nfs/dbraw/zinc/42/85/30/588428530.db2.gz ZMJTUZRJYNVNCP-UHFFFAOYSA-N 2 0 233.319 0.582 20 0 BCADRP CC[C@@H](C)NC(=[NH2+])NCCNc1cc[nH+]cc1 ZINC000848995214 588428761 /nfs/dbraw/zinc/42/87/61/588428761.db2.gz GVGHWAVKBBWHMW-SNVBAGLBSA-N 2 0 235.335 0.828 20 0 BCADRP COCCNC(=[NH2+])NC[C@H](C)[NH+]1CCCCC1 ZINC000848995367 588428831 /nfs/dbraw/zinc/42/88/31/588428831.db2.gz IUHCECLURKFGHL-NSHDSACASA-N 2 0 242.367 0.621 20 0 BCADRP [NH2+]=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC1 ZINC000849000278 588430410 /nfs/dbraw/zinc/43/04/10/588430410.db2.gz OVUYXZNHPFQZQK-GHMZBOCLSA-N 2 0 238.335 0.080 20 0 BCADRP CNC(=[NH2+])NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000849006561 588433153 /nfs/dbraw/zinc/43/31/53/588433153.db2.gz QWBUMXDSVZQFNE-UHFFFAOYSA-N 2 0 242.367 0.620 20 0 BCADRP CCN(CC)C(=[NH2+])NC[C@H]1C[N@H+](C)CCN1C ZINC000849008109 588433585 /nfs/dbraw/zinc/43/35/85/588433585.db2.gz QYITXSYEPGWNJW-NSHDSACASA-N 2 0 241.383 0.098 20 0 BCADRP CNC(=[NH2+])NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000849012642 588435337 /nfs/dbraw/zinc/43/53/37/588435337.db2.gz ICJJKTBXAQMDOI-JTQLQIEISA-N 2 0 212.341 0.708 20 0 BCADRP CCNC(=[NH2+])NCCOCC[NH+](CC)CC ZINC000849018213 588437729 /nfs/dbraw/zinc/43/77/29/588437729.db2.gz GKWNPXIDMBQDMG-UHFFFAOYSA-N 2 0 230.356 0.479 20 0 BCADRP CN(C)C(=[NH2+])NCC1CC[NH+](C2CC2)CC1 ZINC000849022835 588439348 /nfs/dbraw/zinc/43/93/48/588439348.db2.gz AZDZSBYNVUTWNW-UHFFFAOYSA-N 2 0 224.352 0.947 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N(C)C ZINC000849028052 588441368 /nfs/dbraw/zinc/44/13/68/588441368.db2.gz ZWALYYLXNQMNGG-JTQLQIEISA-N 2 0 212.341 0.947 20 0 BCADRP C[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)C[NH+](C)C ZINC000849030820 588442605 /nfs/dbraw/zinc/44/26/05/588442605.db2.gz YEWQQFVSWBTXGE-GHMZBOCLSA-N 2 0 242.367 0.429 20 0 BCADRP CC(C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCCO ZINC000849033907 588443732 /nfs/dbraw/zinc/44/37/32/588443732.db2.gz DMUZIQFWVXLQFZ-NSHDSACASA-N 2 0 242.367 0.356 20 0 BCADRP COCCNC(=[NH2+])NCCC[N@H+](C)CC(C)C ZINC000849046570 588450333 /nfs/dbraw/zinc/45/03/33/588450333.db2.gz JFUDLKSXVATWTD-UHFFFAOYSA-N 2 0 244.383 0.725 20 0 BCADRP CCCNC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849050353 588451827 /nfs/dbraw/zinc/45/18/27/588451827.db2.gz YHFWRSPBEWFYPP-AOOOYVTPSA-N 2 0 212.341 0.851 20 0 BCADRP CNC(=[NH2+])NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000849049979 588451975 /nfs/dbraw/zinc/45/19/75/588451975.db2.gz XWTXGAHITSRJKP-LPEHRKFASA-N 2 0 228.340 0.228 20 0 BCADRP C[C@@]1(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)CC[NH2+]C1 ZINC000849350429 588474863 /nfs/dbraw/zinc/47/48/63/588474863.db2.gz OMRSMNIRUKNJMQ-CQSZACIVSA-N 2 0 249.358 0.856 20 0 BCADRP CON(C)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000850478964 588549899 /nfs/dbraw/zinc/54/98/99/588549899.db2.gz IMFGUZWNVJHRHV-NWDGAFQWSA-N 2 0 227.352 0.696 20 0 BCADRP CON(C)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000850479690 588550763 /nfs/dbraw/zinc/55/07/63/588550763.db2.gz BMGZGVTYQQRBAC-LLVKDONJSA-N 2 0 229.368 0.800 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)N(C)CC[NH2+]C)C1 ZINC000851676744 588614528 /nfs/dbraw/zinc/61/45/28/588614528.db2.gz MHHJNKSVJAMIOA-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP C[N@H+](C[C@@H]1CNC(=O)C1)C[C@H]1CCC[NH+](C)C1 ZINC000851782207 588627717 /nfs/dbraw/zinc/62/77/17/588627717.db2.gz OHTYFECSRYQJCL-RYUDHWBXSA-N 2 0 239.363 0.396 20 0 BCADRP C[N@H+](C[C@H]1CNC(=O)C1)C[C@H]1CCC[NH+](C)C1 ZINC000851782206 588627956 /nfs/dbraw/zinc/62/79/56/588627956.db2.gz OHTYFECSRYQJCL-NWDGAFQWSA-N 2 0 239.363 0.396 20 0 BCADRP CN1CCC[C@@H]([N@@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000852743534 588698481 /nfs/dbraw/zinc/69/84/81/588698481.db2.gz DYJWCSKOXSNWJX-GHMZBOCLSA-N 2 0 225.336 0.278 20 0 BCADRP [NH3+]CCN(CCO)Cc1cccc2c1CC[NH2+]C2 ZINC000852745930 588699152 /nfs/dbraw/zinc/69/91/52/588699152.db2.gz AYTAPUUJJWXXRH-UHFFFAOYSA-N 2 0 249.358 0.085 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)C2=NO[C@H](C[NH3+])C2)c1 ZINC000852789539 588702783 /nfs/dbraw/zinc/70/27/83/588702783.db2.gz BHMRJGVVARMPCP-JTQLQIEISA-N 2 0 248.286 0.187 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)C2=NO[C@@H](C[NH3+])C2)c1 ZINC000852789540 588702789 /nfs/dbraw/zinc/70/27/89/588702789.db2.gz BHMRJGVVARMPCP-SNVBAGLBSA-N 2 0 248.286 0.187 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)NC[C@H]1CCC[NH2+]C1 ZINC000852794023 588703100 /nfs/dbraw/zinc/70/31/00/588703100.db2.gz KIGLMRJZWKFHJH-LBPRGKRZSA-N 2 0 237.347 0.412 20 0 BCADRP [NH3+]CC1(NC(=O)C=C2CC[NH2+]CC2)CCCC1 ZINC000852797454 588703820 /nfs/dbraw/zinc/70/38/20/588703820.db2.gz SYEGZNIYOLXZMX-UHFFFAOYSA-N 2 0 237.347 0.684 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C=C1CC[NH2+]CC1)C1CC1 ZINC000852798064 588703890 /nfs/dbraw/zinc/70/38/90/588703890.db2.gz FWHACZZFVSBHKI-LLVKDONJSA-N 2 0 223.320 0.150 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000852823234 588705670 /nfs/dbraw/zinc/70/56/70/588705670.db2.gz CVWBHSXDALDEPC-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000852823230 588705906 /nfs/dbraw/zinc/70/59/06/588705906.db2.gz CUQSGCSJOJTQFH-NSHDSACASA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2[NH2+]CC23CCCC3)C1 ZINC000852825550 588706088 /nfs/dbraw/zinc/70/60/88/588706088.db2.gz QZVRJCATHMNGBB-ZJUUUORDSA-N 2 0 223.320 0.078 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)[C@H]2[NH2+]CC23CCCC3)C1 ZINC000852826567 588706101 /nfs/dbraw/zinc/70/61/01/588706101.db2.gz UWOJTMXUJUOQBS-WDEREUQCSA-N 2 0 237.347 0.468 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC23CCCC3)CC[NH2+]1 ZINC000852825813 588706132 /nfs/dbraw/zinc/70/61/32/588706132.db2.gz WJQLVWDEXIKEGO-GHMZBOCLSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000852833020 588706848 /nfs/dbraw/zinc/70/68/48/588706848.db2.gz SPPNVWVYYKRAGO-YIZRAAEISA-N 2 0 247.289 0.227 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)c1cccc(C[NH3+])c1 ZINC000852841848 588707333 /nfs/dbraw/zinc/70/73/33/588707333.db2.gz KTQAZNYZUQDIOA-UHFFFAOYSA-N 2 0 235.331 0.955 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)CCCCC[NH3+] ZINC000852841625 588707407 /nfs/dbraw/zinc/70/74/07/588707407.db2.gz HUVNCKKOWLKCGR-UHFFFAOYSA-N 2 0 215.341 0.701 20 0 BCADRP C[C@@H]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)[C@H](C[NH3+])C1 ZINC000852863350 588709087 /nfs/dbraw/zinc/70/90/87/588709087.db2.gz MTKZPHDSJLJIRY-ADEWGFFLSA-N 2 0 239.363 0.700 20 0 BCADRP Cc1ccc(NC(=O)C2=NO[C@H](C[NH3+])C2)c(C)n1 ZINC000852861318 588709147 /nfs/dbraw/zinc/70/91/47/588709147.db2.gz SWJUBIBGTDIUCF-VIFPVBQESA-N 2 0 248.286 0.741 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000852862514 588709215 /nfs/dbraw/zinc/70/92/15/588709215.db2.gz HALJWELWDSGAAW-GFCCVEGCSA-N 2 0 249.358 0.649 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C=C1CC[NH2+]CC1 ZINC000852873880 588709702 /nfs/dbraw/zinc/70/97/02/588709702.db2.gz GZKHZQZRWULSIM-CMPLNLGQSA-N 2 0 237.347 0.492 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C=C1CC[NH2+]CC1 ZINC000852873881 588709856 /nfs/dbraw/zinc/70/98/56/588709856.db2.gz GZKHZQZRWULSIM-JQWIXIFHSA-N 2 0 237.347 0.492 20 0 BCADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C=C3CC[NH2+]CC3)C[C@H]12 ZINC000852875768 588710223 /nfs/dbraw/zinc/71/02/23/588710223.db2.gz PCTCWKULQUCVSD-RWMBFGLXSA-N 2 0 249.358 0.492 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C=C1CC[NH2+]CC1 ZINC000852874794 588710229 /nfs/dbraw/zinc/71/02/29/588710229.db2.gz POTMAVIDLGGILQ-WDEREUQCSA-N 2 0 237.347 0.505 20 0 BCADRP C[C@@H]1CN(C(=O)C=C2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000852874792 588710257 /nfs/dbraw/zinc/71/02/57/588710257.db2.gz POTMAVIDLGGILQ-MNOVXSKESA-N 2 0 237.347 0.505 20 0 BCADRP CC1(NC(=O)C=C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000852879927 588710693 /nfs/dbraw/zinc/71/06/93/588710693.db2.gz YLYKPIMDZBDVKZ-UHFFFAOYSA-N 2 0 237.347 0.555 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N1CC[NH+]2CCC1CC2 ZINC000852884649 588711129 /nfs/dbraw/zinc/71/11/29/588711129.db2.gz IMOBRTSJJFDXHE-UHFFFAOYSA-N 2 0 249.358 0.603 20 0 BCADRP [NH3+]CC1(CCNC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852896168 588711909 /nfs/dbraw/zinc/71/19/09/588711909.db2.gz UTCPCVJAHOHGNR-UHFFFAOYSA-N 2 0 237.347 0.541 20 0 BCADRP C[C@H](CCNC(=O)C=C1CC[NH2+]CC1)[NH+](C)C ZINC000852902221 588712465 /nfs/dbraw/zinc/71/24/65/588712465.db2.gz CNMRNCMYUOLCHT-LLVKDONJSA-N 2 0 239.363 0.753 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)C=C1CC[NH2+]CC1 ZINC000852908504 588712724 /nfs/dbraw/zinc/71/27/24/588712724.db2.gz IBXAMIPAMRTCSJ-UHFFFAOYSA-N 2 0 235.331 0.246 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861565909 589168589 /nfs/dbraw/zinc/16/85/89/589168589.db2.gz GQVVGSJXOAYWED-QWRGUYRKSA-N 2 0 244.383 0.705 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000861582449 589168963 /nfs/dbraw/zinc/16/89/63/589168963.db2.gz XDPYNZIYBGOGFP-NXEZZACHSA-N 2 0 240.351 0.212 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)NCC1([NH+](C)C)CCC1 ZINC000861621650 589170624 /nfs/dbraw/zinc/17/06/24/589170624.db2.gz MIBWXCSSGYVVPD-SNVBAGLBSA-N 2 0 242.367 0.459 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861640836 589171995 /nfs/dbraw/zinc/17/19/95/589171995.db2.gz OZJCGFIGUIYDRS-UWVGGRQHSA-N 2 0 230.356 0.348 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)NCC1([NH3+])CCCCC1 ZINC000861640901 589172006 /nfs/dbraw/zinc/17/20/06/589172006.db2.gz WFFBXBHXHUYCJU-SNVBAGLBSA-N 2 0 242.367 0.637 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000861640417 589172040 /nfs/dbraw/zinc/17/20/40/589172040.db2.gz CRHJMVVQLCTUES-PWSUYJOCSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000861643554 589172368 /nfs/dbraw/zinc/17/23/68/589172368.db2.gz HNTCCRQDYNIGSP-ZJUUUORDSA-N 2 0 230.356 0.493 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCCCC[NH3+] ZINC000861647280 589172904 /nfs/dbraw/zinc/17/29/04/589172904.db2.gz GAUPYWQOVFGQSN-WDEREUQCSA-N 2 0 242.367 0.555 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)NCCC1CC[NH2+]CC1 ZINC000861647884 589172915 /nfs/dbraw/zinc/17/29/15/589172915.db2.gz JSVRZZBYIFLDNP-SNVBAGLBSA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000861648922 589172991 /nfs/dbraw/zinc/17/29/91/589172991.db2.gz ZKIVORJICBKAFX-VIFPVBQESA-N 2 0 228.340 0.104 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000861645683 589173087 /nfs/dbraw/zinc/17/30/87/589173087.db2.gz IHMYJKXSKKZGRS-GUBZILKMSA-N 2 0 228.340 0.102 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000861651526 589173179 /nfs/dbraw/zinc/17/31/79/589173179.db2.gz VHLOGMJWRAZWDT-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000861703876 589175112 /nfs/dbraw/zinc/17/51/12/589175112.db2.gz VTYONBKHVBFUCS-GARJFASQSA-N 2 0 240.351 0.117 20 0 BCADRP CN(C(=O)N[C@@H]1CC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000861710743 589176095 /nfs/dbraw/zinc/17/60/95/589176095.db2.gz XVWCIMYXQCMLGQ-HSOILSAZSA-N 2 0 240.351 0.260 20 0 BCADRP CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)C2C[NH2+]C2)C1 ZINC000863542130 589296995 /nfs/dbraw/zinc/29/69/95/589296995.db2.gz ABSXGELTLXLIEO-SKDRFNHKSA-N 2 0 238.331 0.836 20 0 BCADRP COC(=O)C1=CC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000863541889 589297112 /nfs/dbraw/zinc/29/71/12/589297112.db2.gz LVADZQQAZCLPHJ-YWVKMMECSA-N 2 0 226.320 0.964 20 0 BCADRP CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000863545760 589297857 /nfs/dbraw/zinc/29/78/57/589297857.db2.gz BCTFFSSCYADWBA-KXUCPTDWSA-N 2 0 229.324 0.254 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC[NH2+]1 ZINC000863972447 589330770 /nfs/dbraw/zinc/33/07/70/589330770.db2.gz DWRRVIQHROLUEH-WYUUTHIRSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@H]1CC[N@H+](C)C1 ZINC000864451270 589364820 /nfs/dbraw/zinc/36/48/20/589364820.db2.gz HAPUIUNFMOHQRI-BBBLOLIVSA-N 2 0 210.325 0.460 20 0 BCADRP C[C@H]1C[C@@H]1NC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000864452148 589364955 /nfs/dbraw/zinc/36/49/55/589364955.db2.gz MQSXYEQTPMPFFD-IUCAKERBSA-N 2 0 212.341 0.849 20 0 BCADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCNc1cc[nH+]cc1 ZINC000864455282 589366273 /nfs/dbraw/zinc/36/62/73/589366273.db2.gz LVHHTSUBTYEWMN-KOLCDFICSA-N 2 0 233.319 0.438 20 0 BCADRP CC[N@H+](CCNC(=[NH2+])N[C@@H]1C[C@@H]1C)C1CC1 ZINC000864458271 589368122 /nfs/dbraw/zinc/36/81/22/589368122.db2.gz YALRSQTTWCTTEL-GXSJLCMTSA-N 2 0 224.352 0.993 20 0 BCADRP C[C@H](CNC(=[NH2+])N[C@@H]1C[C@H]1C)C[NH+](C)C ZINC000864467619 589371701 /nfs/dbraw/zinc/37/17/01/589371701.db2.gz VFFBNARFZMYSAL-OPRDCNLKSA-N 2 0 212.341 0.706 20 0 BCADRP C[C@H](CNC(=[NH2+])N[C@H]1C[C@@H]1C)C[NH+](C)C ZINC000864467620 589371597 /nfs/dbraw/zinc/37/15/97/589371597.db2.gz VFFBNARFZMYSAL-UTLUCORTSA-N 2 0 212.341 0.706 20 0 BCADRP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000864468067 589372191 /nfs/dbraw/zinc/37/21/91/589372191.db2.gz APIPKWOFEAKIPY-CHWFTXMASA-N 2 0 224.352 0.849 20 0 BCADRP C[C@H]([NH3+])c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000864643424 589387171 /nfs/dbraw/zinc/38/71/71/589387171.db2.gz LVOJHDIQCMHKFZ-QMMMGPOBSA-N 2 0 217.276 0.746 20 0 BCADRP CNC(=O)NC[C@H]1CCCC[N@@H+]1CCC[NH3+] ZINC000866685429 589511656 /nfs/dbraw/zinc/51/16/56/589511656.db2.gz LOWJNCNOZBQRKG-SNVBAGLBSA-N 2 0 228.340 0.119 20 0 BCADRP CC1(C)CC[NH2+]CCN1C[C@H]1C[NH2+]CCO1 ZINC000866697244 589512641 /nfs/dbraw/zinc/51/26/41/589512641.db2.gz KJCVMUOCFHIHGB-LLVKDONJSA-N 2 0 227.352 0.049 20 0 BCADRP CC1(C)C[C@H](O)C[N@H+](CCOCC[NH3+])C1 ZINC000866702392 589513404 /nfs/dbraw/zinc/51/34/04/589513404.db2.gz AIKZNGYZQGJMMT-JTQLQIEISA-N 2 0 216.325 0.055 20 0 BCADRP CC1(C)C[C@@H](O)C[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000866703657 589513414 /nfs/dbraw/zinc/51/34/14/589513414.db2.gz NNHFCYQDWODYMG-WDEREUQCSA-N 2 0 212.337 0.689 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000866704803 589514355 /nfs/dbraw/zinc/51/43/55/589514355.db2.gz YDTKBFBPPVYHSB-JQWIXIFHSA-N 2 0 230.352 0.050 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)C1CC[NH2+]CC1 ZINC000868005582 589543864 /nfs/dbraw/zinc/54/38/64/589543864.db2.gz RCBGRGCOLHSCCS-JFGNBEQYSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H](NC(=O)[C@]1(C)CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000868005282 589543872 /nfs/dbraw/zinc/54/38/72/589543872.db2.gz NKZAQYZBIAYESI-ZWNOBZJWSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868013726 589544318 /nfs/dbraw/zinc/54/43/18/589544318.db2.gz MPLOPCROBXBDHU-JTQLQIEISA-N 2 0 227.352 0.489 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000868022307 589544761 /nfs/dbraw/zinc/54/47/61/589544761.db2.gz HNRLBUGCMKLGST-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NOCC[NH+](C)C)CC[N@@H+]1C ZINC000868629784 589569336 /nfs/dbraw/zinc/56/93/36/589569336.db2.gz SIXZTTAKUIQKRK-WDEREUQCSA-N 2 0 243.351 0.326 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870937587 589699009 /nfs/dbraw/zinc/69/90/09/589699009.db2.gz NKQNOMHUJIGOQL-AOOOYVTPSA-N 2 0 213.325 0.311 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000870872413 589691978 /nfs/dbraw/zinc/69/19/78/589691978.db2.gz UVENNRBTZBHIBE-UTUOFQBUSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000870892833 589695030 /nfs/dbraw/zinc/69/50/30/589695030.db2.gz NDMSVVJZWIYGER-VWYCJHECSA-N 2 0 227.352 0.665 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000870892815 589695108 /nfs/dbraw/zinc/69/51/08/589695108.db2.gz MPHLRUYFWIARJI-GMTAPVOTSA-N 2 0 227.352 0.522 20 0 BCADRP O=C(CC[NH2+]CC1CC1)NC[C@@H]1CCC[NH2+]1 ZINC000870935915 589696206 /nfs/dbraw/zinc/69/62/06/589696206.db2.gz UJYJPERATFYCOQ-NSHDSACASA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)NCC2([NH3+])CCC2)CC1 ZINC000870912294 589696303 /nfs/dbraw/zinc/69/63/03/589696303.db2.gz CGTWQVVTEVPPDC-MGCOHNPYSA-N 2 0 225.336 0.502 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000870914297 589696727 /nfs/dbraw/zinc/69/67/27/589696727.db2.gz MKDAQRDQMDEQJV-GHMOJZLGSA-N 2 0 249.358 0.324 20 0 BCADRP [NH3+]C1CCN(C(=O)CC[NH2+]CC2CC2)CC1 ZINC000870930936 589697554 /nfs/dbraw/zinc/69/75/54/589697554.db2.gz HOMXVEWGYSACOD-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000870930852 589697864 /nfs/dbraw/zinc/69/78/64/589697864.db2.gz DMSUBGLBPYXBAX-BTQIBKBOSA-N 2 0 223.320 0.064 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870934196 589698202 /nfs/dbraw/zinc/69/82/02/589698202.db2.gz HLDYNVDOEIJLQD-TUAOUCFPSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870935599 589698332 /nfs/dbraw/zinc/69/83/32/589698332.db2.gz ZJMWRNPSHRAUAS-ZBOXLXRLSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870937363 589698838 /nfs/dbraw/zinc/69/88/38/589698838.db2.gz HEUJBANADQLEEU-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870937360 589698983 /nfs/dbraw/zinc/69/89/83/589698983.db2.gz HEUJBANADQLEEU-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000870939189 589699286 /nfs/dbraw/zinc/69/92/86/589699286.db2.gz MMVGOKOZRGONTR-LMLFDSFASA-N 2 0 225.336 0.310 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000870941404 589699731 /nfs/dbraw/zinc/69/97/31/589699731.db2.gz XGSUPBCQKBXQDB-JQWIXIFHSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CC[NH2+]CC2CC2)CC[NH2+]1 ZINC000870942596 589700041 /nfs/dbraw/zinc/70/00/41/589700041.db2.gz QNKBJQUBFALQJA-ZYHUDNBSSA-N 2 0 239.363 0.633 20 0 BCADRP CC1(C)CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[NH2+]1 ZINC000870946557 589700323 /nfs/dbraw/zinc/70/03/23/589700323.db2.gz SCJZZXHJQYGBJZ-NRUUGDAUSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H](NC(=O)CC[NH2+]CC1CC1)[C@H](C)[NH3+] ZINC000870946077 589700398 /nfs/dbraw/zinc/70/03/98/589700398.db2.gz DEDMLENTKJYLLO-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP CN(C(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@@H](C[NH3+])C1CC1 ZINC000870945711 589700361 /nfs/dbraw/zinc/70/03/61/589700361.db2.gz NBGIXXSOKKAFOI-SRVKXCTJSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]1CN(C(=O)CC[NH2+]CC2CC2)C[C@H]1[NH3+] ZINC000870946869 589700550 /nfs/dbraw/zinc/70/05/50/589700550.db2.gz VFQYESMSMRBPQK-MWLCHTKSSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000870959804 589701519 /nfs/dbraw/zinc/70/15/19/589701519.db2.gz WTINURVORAWLRN-APLVYKGISA-N 2 0 249.358 0.454 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)CC[NH2+]CC2CC2)C1 ZINC000870964104 589701807 /nfs/dbraw/zinc/70/18/07/589701807.db2.gz SGWFJABYRRCIMC-PHIMTYICSA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H](C)[NH3+] ZINC000870965309 589702131 /nfs/dbraw/zinc/70/21/31/589702131.db2.gz NXCBIKBGZNLEQN-CHWFTXMASA-N 2 0 227.352 0.459 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[NH+](C)C ZINC000870965539 589702141 /nfs/dbraw/zinc/70/21/41/589702141.db2.gz QJPRSYRKMVKVPT-AXFHLTTASA-N 2 0 227.352 0.426 20 0 BCADRP [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@@H]1C[C@H]([NH3+])C1 ZINC000870964462 589702165 /nfs/dbraw/zinc/70/21/65/589702165.db2.gz FMMRSASCPHBCFV-FRRDWIJNSA-N 2 0 247.342 0.410 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870968477 589702823 /nfs/dbraw/zinc/70/28/23/589702823.db2.gz VJDAZHPAXDQWQO-AOOOYVTPSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870969086 589702890 /nfs/dbraw/zinc/70/28/90/589702890.db2.gz RPXXKUQKCZMREM-XKNYDFJKSA-N 2 0 213.325 0.213 20 0 BCADRP [NH3+][C@@H](CC(=O)NC[C@@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000870971472 589703060 /nfs/dbraw/zinc/70/30/60/589703060.db2.gz BKRMLOANRPRKGF-DRZSPHRISA-N 2 0 247.342 0.930 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972067 589703537 /nfs/dbraw/zinc/70/35/37/589703537.db2.gz QERHELJTHHYDNP-MRBYEJRBSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972068 589703744 /nfs/dbraw/zinc/70/37/44/589703744.db2.gz QERHELJTHHYDNP-PRULPYPASA-N 2 0 239.363 0.748 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972115 589703759 /nfs/dbraw/zinc/70/37/59/589703759.db2.gz SEBATGMCARTUKJ-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000870972470 589703802 /nfs/dbraw/zinc/70/38/02/589703802.db2.gz HGPQVWVXUKBVIH-GWOFURMSSA-N 2 0 225.336 0.180 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)CC[NH2+]CC2CC2)C1 ZINC000870972729 589703834 /nfs/dbraw/zinc/70/38/34/589703834.db2.gz SGWFJABYRRCIMC-XYPYZODXSA-N 2 0 225.336 0.230 20 0 BCADRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H](C)[NH3+] ZINC000870972025 589703839 /nfs/dbraw/zinc/70/38/39/589703839.db2.gz NXCBIKBGZNLEQN-GWOFURMSSA-N 2 0 227.352 0.459 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974677 589703971 /nfs/dbraw/zinc/70/39/71/589703971.db2.gz OLTVCUJTJDZKKC-CHWFTXMASA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000870972804 589704150 /nfs/dbraw/zinc/70/41/50/589704150.db2.gz VPOWOTUNOOAVON-PDEGPIFNSA-N 2 0 237.347 0.371 20 0 BCADRP CC(C)([NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974224 589704219 /nfs/dbraw/zinc/70/42/19/589704219.db2.gz JIGYZWZVKPRJJX-ILWJIGKKSA-N 2 0 225.336 0.371 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)C[NH3+])CC[C@@H]21 ZINC000870981560 589704757 /nfs/dbraw/zinc/70/47/57/589704757.db2.gz JKQKFEPAPUHXPJ-QWRGUYRKSA-N 2 0 239.363 0.524 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870981474 589704765 /nfs/dbraw/zinc/70/47/65/589704765.db2.gz IXTCKXWOFKATSV-AXFHLTTASA-N 2 0 225.336 0.276 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870980849 589704775 /nfs/dbraw/zinc/70/47/75/589704775.db2.gz CZYYWVFPBZAHOE-GMTAPVOTSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870980848 589704868 /nfs/dbraw/zinc/70/48/68/589704868.db2.gz CZYYWVFPBZAHOE-GARJFASQSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@@H](NC(=O)C(C)(C)[NH3+])C1CC[NH2+]CC1 ZINC000870984208 589705038 /nfs/dbraw/zinc/70/50/38/589705038.db2.gz KEWOYLJCVFLPOK-MRVPVSSYSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](NC(=O)[C@@H]([NH3+])C1CCC1)C1CC[NH2+]CC1 ZINC000870984301 589705058 /nfs/dbraw/zinc/70/50/58/589705058.db2.gz ODXYBUFKVKUNCV-SKDRFNHKSA-N 2 0 239.363 0.618 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)CC[C@H]21 ZINC000870982761 589705094 /nfs/dbraw/zinc/70/50/94/589705094.db2.gz PEGXUAWKFUXPFX-GRYCIOLGSA-N 2 0 237.347 0.291 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870983063 589705315 /nfs/dbraw/zinc/70/53/15/589705315.db2.gz SIDKKOQXTOFJRI-AXFHLTTASA-N 2 0 225.336 0.147 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870984224 589705355 /nfs/dbraw/zinc/70/53/55/589705355.db2.gz LAFVPGRMCSUVLI-MWLCHTKSSA-N 2 0 227.352 0.489 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870983982 589705356 /nfs/dbraw/zinc/70/53/56/589705356.db2.gz FJUHHOBFJMWDIZ-MWLCHTKSSA-N 2 0 227.352 0.474 20 0 BCADRP CC[C@H](C(=O)N[C@H](C)C1CC[NH2+]CC1)[NH+](C)C ZINC000870985455 589706123 /nfs/dbraw/zinc/70/61/23/589706123.db2.gz DEOMRNFEXFBXRT-ZYHUDNBSSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870986755 589706178 /nfs/dbraw/zinc/70/61/78/589706178.db2.gz UYRWTNSZSSPJIE-LLVKDONJSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870988188 589706946 /nfs/dbraw/zinc/70/69/46/589706946.db2.gz IBRGXLYQRIBZHN-MFKMUULPSA-N 2 0 241.379 0.947 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870993644 589707425 /nfs/dbraw/zinc/70/74/25/589707425.db2.gz JXFAFFMSEOAFLJ-ZDUSSCGKSA-N 2 0 241.379 0.819 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870994918 589707536 /nfs/dbraw/zinc/70/75/36/589707536.db2.gz YDSDFMKJZQOIDK-MFKMUULPSA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000870991005 589708167 /nfs/dbraw/zinc/70/81/67/589708167.db2.gz CPVOMKKJTJHNAR-GBIKHYSHSA-N 2 0 239.363 0.557 20 0 BCADRP CC[NH+](CC)CCCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000123532629 589747490 /nfs/dbraw/zinc/74/74/90/589747490.db2.gz YHVWUBXHXWXEOV-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP COCCN(C)C(=[NH2+])NCCC[NH+](C)C ZINC000871603433 589773644 /nfs/dbraw/zinc/77/36/44/589773644.db2.gz UASGXAHQEQYWKR-UHFFFAOYSA-N 2 0 216.329 0.041 20 0 BCADRP COCCN(C)C(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000871605338 589774713 /nfs/dbraw/zinc/77/47/13/589774713.db2.gz OCUCEFBPGPIROK-UHFFFAOYSA-N 2 0 230.356 0.477 20 0 BCADRP OCC1(CO)CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000872146828 589884681 /nfs/dbraw/zinc/88/46/81/589884681.db2.gz YMQGLLUNRXTKBA-LBPRGKRZSA-N 2 0 242.363 0.053 20 0 BCADRP [NH3+]CCCN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872150932 589885039 /nfs/dbraw/zinc/88/50/39/589885039.db2.gz HNRXEFZMKZGUJU-YUMQZZPRSA-N 2 0 225.258 0.404 20 0 BCADRP C[NH2+]CCCN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872153006 589885445 /nfs/dbraw/zinc/88/54/45/589885445.db2.gz XUZUGBHQCLYEPA-DTWKUNHWSA-N 2 0 239.285 0.665 20 0 BCADRP O=C1CC2(CCC2)[N@H+](C[C@H]2CC[NH2+]C2)CCN1 ZINC000872156724 589885676 /nfs/dbraw/zinc/88/56/76/589885676.db2.gz CPZOQJCPUTWFDM-NSHDSACASA-N 2 0 237.347 0.341 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000872154149 589886024 /nfs/dbraw/zinc/88/60/24/589886024.db2.gz PDFICPXOGYVCRX-HZSPNIEDSA-N 3 0 237.391 0.917 20 0 BCADRP CCCN1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000872215891 589895149 /nfs/dbraw/zinc/89/51/49/589895149.db2.gz JOAMEMNUFXCWIW-RYUDHWBXSA-N 2 0 244.379 0.582 20 0 BCADRP CCCN1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000872215890 589895427 /nfs/dbraw/zinc/89/54/27/589895427.db2.gz JOAMEMNUFXCWIW-NWDGAFQWSA-N 2 0 244.379 0.582 20 0 BCADRP CCCN1CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000872215889 589895451 /nfs/dbraw/zinc/89/54/51/589895451.db2.gz JOAMEMNUFXCWIW-NEPJUHHUSA-N 2 0 244.379 0.582 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CC1 ZINC000872257471 589901080 /nfs/dbraw/zinc/90/10/80/589901080.db2.gz IUYJQKLTCHNHTN-DNIRFERGSA-N 2 0 237.347 0.357 20 0 BCADRP [NH3+]C1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000872255678 589901088 /nfs/dbraw/zinc/90/10/88/589901088.db2.gz BTOLZRYRLYSVKN-NEPJUHHUSA-N 2 0 239.363 0.844 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872268567 589902747 /nfs/dbraw/zinc/90/27/47/589902747.db2.gz FDJNJDYNXZSMHM-SNVBAGLBSA-N 2 0 227.352 0.490 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[NH2+]CCC1(C)C ZINC000872289729 589906228 /nfs/dbraw/zinc/90/62/28/589906228.db2.gz AUMMKZZHIIGVTJ-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[NH2+]CCC1(C)C ZINC000872290282 589906232 /nfs/dbraw/zinc/90/62/32/589906232.db2.gz LANSAYHMUALAIH-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[NH2+]CCC1(C)C ZINC000872290351 589906290 /nfs/dbraw/zinc/90/62/90/589906290.db2.gz MSRSBOCJOBVIJS-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000872289950 589906413 /nfs/dbraw/zinc/90/64/13/589906413.db2.gz GNZQVSPOAMVZNP-LLVKDONJSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@H]1C ZINC000872288508 589906551 /nfs/dbraw/zinc/90/65/51/589906551.db2.gz MUYLHURHHDPRIA-OQEOFVATSA-N 2 0 237.347 0.323 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872293501 589906947 /nfs/dbraw/zinc/90/69/47/589906947.db2.gz XBOIMCHNZFAIOS-DBIOUOCHSA-N 2 0 227.352 0.746 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872293221 589907621 /nfs/dbraw/zinc/90/76/21/589907621.db2.gz LNKYCDDABZMXLP-COMAGPEQSA-N 2 0 237.347 0.371 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872300788 589908209 /nfs/dbraw/zinc/90/82/09/589908209.db2.gz MKCYTRMYCIQVRG-LIJGXYGRSA-N 2 0 225.336 0.356 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000872300641 589908239 /nfs/dbraw/zinc/90/82/39/589908239.db2.gz ZFKZLVJNVZNDKM-AOOOYVTPSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872306822 589908312 /nfs/dbraw/zinc/90/83/12/589908312.db2.gz XXBBDMMIVKPPGU-AXFHLTTASA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+]CCC(=O)N1CC[NH2+]CCC1(C)C ZINC000872298990 589908316 /nfs/dbraw/zinc/90/83/16/589908316.db2.gz ZIDPLANILGTPEM-UHFFFAOYSA-N 2 0 213.325 0.196 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C[NH2+]1 ZINC000872309389 589908740 /nfs/dbraw/zinc/90/87/40/589908740.db2.gz VAUWMCXIPXDHCE-FBUUZDRASA-N 2 0 237.347 0.371 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CCC[C@H](C[NH3+])C1 ZINC000873201946 589989551 /nfs/dbraw/zinc/98/95/51/589989551.db2.gz QOJKHCZJDWXLEY-VXGBXAGGSA-N 2 0 213.369 0.888 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN1CCC[C@H](C[NH3+])C1 ZINC000873201943 589993028 /nfs/dbraw/zinc/99/30/28/589993028.db2.gz QOJKHCZJDWXLEY-NEPJUHHUSA-N 2 0 213.369 0.888 20 0 BCADRP C[NH2+]CCNCc1cc2c(s1)CC[NH2+]C2 ZINC000873211102 589994970 /nfs/dbraw/zinc/99/49/70/589994970.db2.gz VJMGDMJNPOCWAX-UHFFFAOYSA-N 2 0 225.361 0.703 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1Cc1cnc(N)cn1 ZINC000873214088 589996778 /nfs/dbraw/zinc/99/67/78/589996778.db2.gz XNWCGJNBHZNBAE-DTWKUNHWSA-N 2 0 221.308 0.370 20 0 BCADRP Nc1cnc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cn1 ZINC000873212900 589997479 /nfs/dbraw/zinc/99/74/79/589997479.db2.gz RRYVVQQFYOZTRO-RKDXNWHRSA-N 2 0 221.308 0.276 20 0 BCADRP C[C@H]([NH2+][C@H]1CNC[C@H](C)C1)C1CC[NH2+]CC1 ZINC000873221022 589999544 /nfs/dbraw/zinc/99/95/44/589999544.db2.gz XEWXGMHXMPNWDI-NTZNESFSSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@@H]([NH2+][C@H]1CCCNC1)C1CC[NH2+]CC1 ZINC000873221061 589999571 /nfs/dbraw/zinc/99/95/71/589999571.db2.gz ZBXONSPDTFZLHR-PWSUYJOCSA-N 2 0 211.353 0.716 20 0 BCADRP CC(C)([NH3+])CN1C[C@H](O)CC(C)(C)C1 ZINC000873221451 589999733 /nfs/dbraw/zinc/99/97/33/589999733.db2.gz KNSZTZLDEWMHAH-SECBINFHSA-N 2 0 200.326 0.817 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(CC(C)(C)[NH3+])CC[C@@H]21 ZINC000873221443 590000184 /nfs/dbraw/zinc/00/01/84/590000184.db2.gz KLVCQGFTZXUIDT-QWRGUYRKSA-N 2 0 211.353 0.750 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCCNC(=O)C2)CC[NH2+]1 ZINC000873232234 590002932 /nfs/dbraw/zinc/00/29/32/590002932.db2.gz NPOMWAWMNPHZDG-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873248426 590006337 /nfs/dbraw/zinc/00/63/37/590006337.db2.gz ACJQWYPENUOAIO-WISYIIOYSA-N 3 0 211.353 0.831 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000873245986 590006421 /nfs/dbraw/zinc/00/64/21/590006421.db2.gz QVJGULSJBWXKCF-QWRGUYRKSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCC[NH2+]1 ZINC000873248686 590007212 /nfs/dbraw/zinc/00/72/12/590007212.db2.gz DOJLAMDPNRNJCK-NNYUYHANSA-N 3 0 211.353 0.844 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C(C)(C)n1cncn1 ZINC000873248674 590007660 /nfs/dbraw/zinc/00/76/60/590007660.db2.gz DKLLCCKBGAKVOM-GARJFASQSA-N 2 0 237.351 0.729 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000873250443 590008490 /nfs/dbraw/zinc/00/84/90/590008490.db2.gz HQSDVQUQUZCXMU-PHIMTYICSA-N 2 0 240.347 0.999 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000873251208 590008636 /nfs/dbraw/zinc/00/86/36/590008636.db2.gz KGLJNMWLYHXWJE-RNJOBUHISA-N 3 0 223.364 0.940 20 0 BCADRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)C1CC[NH2+]CC1 ZINC000873269040 590009447 /nfs/dbraw/zinc/00/94/47/590009447.db2.gz CEWNCIHQMXRUKR-ZJUUUORDSA-N 3 0 211.353 0.572 20 0 BCADRP COC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C(C)C ZINC000873253853 590009495 /nfs/dbraw/zinc/00/94/95/590009495.db2.gz GBQFQVWSKZEENR-OUAUKWLOSA-N 2 0 200.326 0.984 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cnn(C)c1 ZINC000873254085 590009679 /nfs/dbraw/zinc/00/96/79/590009679.db2.gz KLNSCLLRNDXAHN-KKZNHRDASA-N 2 0 208.309 0.808 20 0 BCADRP C[C@@H]([NH2+][C@H]1CN(C)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000873267995 590009692 /nfs/dbraw/zinc/00/96/92/590009692.db2.gz OBCOLGDCNRJSFB-LOWVWBTDSA-N 2 0 225.380 0.914 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000873254813 590010213 /nfs/dbraw/zinc/01/02/13/590010213.db2.gz BEDGFMGGTHTRSE-KKOKHZNYSA-N 3 0 211.353 0.796 20 0 BCADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254432 590010294 /nfs/dbraw/zinc/01/02/94/590010294.db2.gz TVWPPJKUYZSHDC-HNCHTBHHSA-N 2 0 223.364 0.796 20 0 BCADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873257114 590011453 /nfs/dbraw/zinc/01/14/53/590011453.db2.gz RUNZQBYHENNYGN-SDDRHHMPSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1nccn1C ZINC000873256757 590011573 /nfs/dbraw/zinc/01/15/73/590011573.db2.gz QDGQQLBMDGPWCB-GUBZILKMSA-N 2 0 208.309 0.808 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000873257667 590012525 /nfs/dbraw/zinc/01/25/25/590012525.db2.gz WFONOBXHRFNDRL-IEECTRCBSA-N 3 0 223.364 0.701 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261882 590014302 /nfs/dbraw/zinc/01/43/02/590014302.db2.gz SMLUJTOCIMKKRB-PPCPHDFISA-N 3 0 223.364 0.986 20 0 BCADRP C[C@@H]([NH2+][C@@H]1CNCC[C@H]1C)C1CC[NH2+]CC1 ZINC000873270385 590016376 /nfs/dbraw/zinc/01/63/76/590016376.db2.gz RVEKBRDWAVUCFY-NQBHXWOUSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@H](NC[C@H]1Cc2ccccc2C[NH2+]1)C1C[NH2+]C1 ZINC000873297200 590024869 /nfs/dbraw/zinc/02/48/69/590024869.db2.gz TYCZSNCBDORPSG-XHDPSFHLSA-N 2 0 245.370 0.898 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC000873838914 590075059 /nfs/dbraw/zinc/07/50/59/590075059.db2.gz DAZFUBCCYUMSKS-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000874447018 590111368 /nfs/dbraw/zinc/11/13/68/590111368.db2.gz DLEMPXPFQRGXMQ-UHFFFAOYSA-N 2 0 239.363 0.635 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000874446486 590111475 /nfs/dbraw/zinc/11/14/75/590111475.db2.gz MXYZGLSMDVUDHS-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000876501998 590203325 /nfs/dbraw/zinc/20/33/25/590203325.db2.gz UZLVVGZVYAUOPA-LOWVWBTDSA-N 2 0 237.347 0.468 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000876503121 590203670 /nfs/dbraw/zinc/20/36/70/590203670.db2.gz ZNNXOPOTYGFLIS-NXEZZACHSA-N 2 0 225.336 0.228 20 0 BCADRP [NH3+]C1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC000876502246 590203840 /nfs/dbraw/zinc/20/38/40/590203840.db2.gz WXZYJMLBOVGZON-BYCRGOAPSA-N 2 0 237.347 0.492 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)C1 ZINC000876503718 590203970 /nfs/dbraw/zinc/20/39/70/590203970.db2.gz DGHQAQBECSIQHT-YIZUVKHSSA-N 2 0 223.320 0.102 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000876508866 590205172 /nfs/dbraw/zinc/20/51/72/590205172.db2.gz APWHNTAVOXWLBY-KXUCPTDWSA-N 2 0 213.325 0.452 20 0 BCADRP CN(C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C1CC[NH2+]CC1 ZINC000876510046 590205413 /nfs/dbraw/zinc/20/54/13/590205413.db2.gz MPHBKADUBISWQY-IUCAKERBSA-N 2 0 247.289 0.037 20 0 BCADRP CN(C(=O)[C@H]1C[C@H]([NH3+])C1(C)C)C1CC[NH2+]CC1 ZINC000876510651 590205612 /nfs/dbraw/zinc/20/56/12/590205612.db2.gz XFEZKVAOMDJFRX-MNOVXSKESA-N 2 0 239.363 0.570 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876513743 590205899 /nfs/dbraw/zinc/20/58/99/590205899.db2.gz IAFPXAWHXUHINW-GARJFASQSA-N 2 0 243.326 0.192 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876515776 590206385 /nfs/dbraw/zinc/20/63/85/590206385.db2.gz XKYGPDCEGWNOBM-UTLUCORTSA-N 2 0 225.336 0.180 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH2+]2)C1(F)F ZINC000876515088 590206710 /nfs/dbraw/zinc/20/67/10/590206710.db2.gz XLTRYCHBJRCWFB-DJLDLDEBSA-N 2 0 247.289 0.085 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000876517905 590206941 /nfs/dbraw/zinc/20/69/41/590206941.db2.gz GUIFBRDKAMBBRC-LOWVWBTDSA-N 2 0 237.347 0.326 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876520873 590207505 /nfs/dbraw/zinc/20/75/05/590207505.db2.gz FAALJKGTEBGZOQ-DTWKUNHWSA-N 2 0 213.325 0.086 20 0 BCADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCC[NH2+]C1CC1 ZINC000876521914 590207560 /nfs/dbraw/zinc/20/75/60/590207560.db2.gz BOAWUUKYKXAHAM-GQOHGMTASA-N 2 0 237.347 0.410 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876524691 590208594 /nfs/dbraw/zinc/20/85/94/590208594.db2.gz VSBNUEQLKAUJFA-IUCAKERBSA-N 2 0 249.305 0.331 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000876528790 590209946 /nfs/dbraw/zinc/20/99/46/590209946.db2.gz ZFJBHELDEFARTD-QTQQSFGGSA-N 2 0 237.347 0.218 20 0 BCADRP [NH3+]CC1(NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CCCC1 ZINC000876529789 590210005 /nfs/dbraw/zinc/21/00/05/590210005.db2.gz HWEHWAKCUGISSW-PHIMTYICSA-N 2 0 239.363 0.892 20 0 BCADRP C[C@@H]1CN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000876530265 590210016 /nfs/dbraw/zinc/21/00/16/590210016.db2.gz PXWVKDNFVNYBGN-GKUNOOHESA-N 2 0 237.347 0.363 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876531729 590210130 /nfs/dbraw/zinc/21/01/30/590210130.db2.gz NKUZLHUXVXDNPI-PVTPVBHGSA-N 2 0 225.336 0.348 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)C1CC1 ZINC000876531021 590210199 /nfs/dbraw/zinc/21/01/99/590210199.db2.gz XWILFHPASBSDCW-SUZMYJTESA-N 2 0 239.363 0.748 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC[NH2+]1 ZINC000876530969 590210334 /nfs/dbraw/zinc/21/03/34/590210334.db2.gz WQUNKNQVWHAZJH-UTLUCORTSA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876534854 590210729 /nfs/dbraw/zinc/21/07/29/590210729.db2.gz UGBBAGFBVGWEEF-OPRDCNLKSA-N 2 0 231.315 0.034 20 0 BCADRP CN(CCC[NH3+])C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876534994 590210846 /nfs/dbraw/zinc/21/08/46/590210846.db2.gz JAESJBQEIPIUJX-GZTOBOFZSA-N 2 0 225.336 0.349 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876534644 590210958 /nfs/dbraw/zinc/21/09/58/590210958.db2.gz CQZGRUIHWWIICK-UMNHJUIQSA-N 2 0 245.342 0.424 20 0 BCADRP CN(CCC[NH3+])C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876535000 590210975 /nfs/dbraw/zinc/21/09/75/590210975.db2.gz JAESJBQEIPIUJX-QRGHLMKCSA-N 2 0 225.336 0.349 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CC[NH2+]CC1CC1 ZINC000876534391 590210977 /nfs/dbraw/zinc/21/09/77/590210977.db2.gz BYQOTURJOUCOPW-CYBMUJFWSA-N 2 0 241.379 0.866 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876538424 590211495 /nfs/dbraw/zinc/21/14/95/590211495.db2.gz QAXBQMUDADVMFK-PHIMTYICSA-N 2 0 239.363 0.714 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000876538570 590211542 /nfs/dbraw/zinc/21/15/42/590211542.db2.gz KQWAMEWKXBDUQT-KXUCPTDWSA-N 2 0 225.336 0.310 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876540107 590212116 /nfs/dbraw/zinc/21/21/16/590212116.db2.gz FTWSXKCKRWRKTM-HBNTYKKESA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876539802 590212316 /nfs/dbraw/zinc/21/23/16/590212316.db2.gz BUQYLAGVEUFSOO-VWYCJHECSA-N 2 0 243.326 0.144 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876539875 590212358 /nfs/dbraw/zinc/21/23/58/590212358.db2.gz APPMURDJQIYYOF-UWVGGRQHSA-N 2 0 241.379 0.803 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876542640 590212775 /nfs/dbraw/zinc/21/27/75/590212775.db2.gz YOKBPXDWCSHBNV-NXEZZACHSA-N 2 0 245.342 0.377 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876542020 590212855 /nfs/dbraw/zinc/21/28/55/590212855.db2.gz JNTOXLBQSJCQRZ-HBNTYKKESA-N 2 0 245.342 0.568 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876707129 590232311 /nfs/dbraw/zinc/23/23/11/590232311.db2.gz UCDBYNIQLGSGFM-MNOVXSKESA-N 2 0 241.379 0.818 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876726196 590233466 /nfs/dbraw/zinc/23/34/66/590233466.db2.gz VSHMPTHDEXMYRG-GHMZBOCLSA-N 2 0 245.342 0.392 20 0 BCADRP C[C@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C)[NH+](C)C ZINC000876735417 590234128 /nfs/dbraw/zinc/23/41/28/590234128.db2.gz NKCJPKOCNPOCNC-OPRDCNLKSA-N 2 0 227.352 0.426 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876732607 590234314 /nfs/dbraw/zinc/23/43/14/590234314.db2.gz AWRGAOXEDCFLNT-OUAUKWLOSA-N 2 0 239.363 0.570 20 0 BCADRP Cn1ccnc1CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876753562 590238331 /nfs/dbraw/zinc/23/83/31/590238331.db2.gz MHWXYTMIKFRWKL-BDAKNGLRSA-N 2 0 236.319 0.410 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876787703 590240859 /nfs/dbraw/zinc/24/08/59/590240859.db2.gz UJKKQCQNODBHKE-HLTSFMKQSA-N 2 0 213.325 0.071 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876787675 590240899 /nfs/dbraw/zinc/24/08/99/590240899.db2.gz VIXYONRYKLEWDX-UMNHJUIQSA-N 2 0 225.336 0.230 20 0 BCADRP CN1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876789513 590241202 /nfs/dbraw/zinc/24/12/02/590241202.db2.gz CQSRBJVHJLPJPW-UWVGGRQHSA-N 2 0 225.336 0.134 20 0 BCADRP C[C@H](C[NH3+])NC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876805801 590244347 /nfs/dbraw/zinc/24/43/47/590244347.db2.gz FUNQRWDUCIYQEW-CFUOYWMPSA-N 2 0 211.309 0.006 20 0 BCADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCC1=CC[NH2+]CC1 ZINC000876810746 590245244 /nfs/dbraw/zinc/24/52/44/590245244.db2.gz YSIPYVDDHGWVAC-MVZIDQBPSA-N 2 0 249.358 0.578 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000876810116 590245253 /nfs/dbraw/zinc/24/52/53/590245253.db2.gz NHLNYGOMCAQARY-XCUNLHGCSA-N 2 0 249.358 0.434 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876813873 590245283 /nfs/dbraw/zinc/24/52/83/590245283.db2.gz YAQJBWLVGTWKQS-VPOLOUISSA-N 2 0 239.363 0.474 20 0 BCADRP C[C@H]1CN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000876829200 590246735 /nfs/dbraw/zinc/24/67/35/590246735.db2.gz PXWVKDNFVNYBGN-KBIXYVOKSA-N 2 0 237.347 0.363 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876829270 590246865 /nfs/dbraw/zinc/24/68/65/590246865.db2.gz FUNQRWDUCIYQEW-AWAZDUCLSA-N 2 0 211.309 0.006 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH3+] ZINC000876829458 590246916 /nfs/dbraw/zinc/24/69/16/590246916.db2.gz IYLLGUBZCMOATM-DTWKUNHWSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CC[NH2+]1 ZINC000876832446 590247445 /nfs/dbraw/zinc/24/74/45/590247445.db2.gz CVECPYYFFZBDAD-GWOFURMSSA-N 2 0 239.363 0.617 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC1(C)CC[NH2+]CC1 ZINC000876833010 590247649 /nfs/dbraw/zinc/24/76/49/590247649.db2.gz KLNQDYCDOMWVAZ-NXEZZACHSA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000876831864 590247715 /nfs/dbraw/zinc/24/77/15/590247715.db2.gz CRPCKEDNKAGXTD-GVXVVHGQSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876833734 590247902 /nfs/dbraw/zinc/24/79/02/590247902.db2.gz KHPHYHWVZKWTLH-VLEAKVRGSA-N 2 0 243.326 0.191 20 0 BCADRP CC1(NC(=O)CC[NH2+]CC2CC2)CC[NH2+]CC1 ZINC000876835192 590248016 /nfs/dbraw/zinc/24/80/16/590248016.db2.gz YZUPRZAGEVGBGL-UHFFFAOYSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@H]1C ZINC000876833830 590248031 /nfs/dbraw/zinc/24/80/31/590248031.db2.gz YGXBXDWVYYROAS-XWLWVQCSSA-N 2 0 239.363 0.569 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000876840019 590248522 /nfs/dbraw/zinc/24/85/22/590248522.db2.gz GREQUTCHSRXDGH-NRPADANISA-N 2 0 247.289 0.024 20 0 BCADRP C[C@@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCC[NH2+]1 ZINC000876856281 590250260 /nfs/dbraw/zinc/25/02/60/590250260.db2.gz DSWBQUCXZAMREG-GVXVVHGQSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876858628 590250569 /nfs/dbraw/zinc/25/05/69/590250569.db2.gz UYGGVFFHYALROU-WZRBSPASSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876859123 590250613 /nfs/dbraw/zinc/25/06/13/590250613.db2.gz CLKMZZWVAOBLML-VHSXEESVSA-N 2 0 245.342 0.568 20 0 BCADRP CN(C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)C1CC([NH3+])C1 ZINC000876862223 590250892 /nfs/dbraw/zinc/25/08/92/590250892.db2.gz KXNNJDSUFXMWIO-QLEHZGMVSA-N 2 0 225.336 0.308 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000876863244 590251175 /nfs/dbraw/zinc/25/11/75/590251175.db2.gz BNCMJOLZLSRWCH-XLPZGREQSA-N 2 0 249.305 0.459 20 0 BCADRP O=C(CCC1C[NH2+]C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000876866896 590251580 /nfs/dbraw/zinc/25/15/80/590251580.db2.gz MKLATSVCXHGDNZ-SECBINFHSA-N 2 0 247.289 0.099 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000876871775 590251981 /nfs/dbraw/zinc/25/19/81/590251981.db2.gz WTWHWVAYGDBJSR-UTUOFQBUSA-N 2 0 237.347 0.149 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000876871937 590252023 /nfs/dbraw/zinc/25/20/23/590252023.db2.gz OGALAOGCWQHVCE-UTLUCORTSA-N 2 0 239.363 0.617 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[NH+](C)C ZINC000876871627 590252029 /nfs/dbraw/zinc/25/20/29/590252029.db2.gz MXWYFEGBHSMPPU-VWYCJHECSA-N 2 0 225.336 0.147 20 0 BCADRP CC1(C)[C@H](C(=O)NCc2c[nH]cn2)C[C@@H]1[NH3+] ZINC000876882861 590253089 /nfs/dbraw/zinc/25/30/89/590253089.db2.gz UHSGUFHSVUFEKH-IUCAKERBSA-N 2 0 222.292 0.399 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)C[C@H]1[NH3+] ZINC000876914268 590256361 /nfs/dbraw/zinc/25/63/61/590256361.db2.gz CTSGMDZFDVNSRU-UTINFBMNSA-N 2 0 225.336 0.165 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876916170 590256870 /nfs/dbraw/zinc/25/68/70/590256870.db2.gz MUJNXHBIIUBLNO-KXUCPTDWSA-N 2 0 245.342 0.424 20 0 BCADRP C[NH2+]CCCN(C)C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876921899 590257466 /nfs/dbraw/zinc/25/74/66/590257466.db2.gz MIIJUWKEMFRYSN-ZHRWSRJISA-N 2 0 239.363 0.610 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876926679 590257828 /nfs/dbraw/zinc/25/78/28/590257828.db2.gz CMSDKYHLBGXSKR-ISALQUGTSA-N 2 0 239.363 0.786 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)CC[NH2+]CC1CC1 ZINC000876926831 590257857 /nfs/dbraw/zinc/25/78/57/590257857.db2.gz HLILPEUKOCPEQV-UHFFFAOYSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876934819 590258102 /nfs/dbraw/zinc/25/81/02/590258102.db2.gz ODRYSVYOBNYXOO-QEYWKRMJSA-N 2 0 227.352 0.602 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH3+])C1(F)F ZINC000876932196 590258630 /nfs/dbraw/zinc/25/86/30/590258630.db2.gz GNEIAXVJYLRWCT-FNCVBFRFSA-N 2 0 247.289 0.213 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000876938398 590258853 /nfs/dbraw/zinc/25/88/53/590258853.db2.gz CTXYBHUDXFQOCL-PHIMTYICSA-N 2 0 239.363 0.762 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000876935898 590258857 /nfs/dbraw/zinc/25/88/57/590258857.db2.gz SOIYRGXEESVXOT-IADPBGDDSA-N 2 0 239.363 0.640 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876936381 590258866 /nfs/dbraw/zinc/25/88/66/590258866.db2.gz YNHAJYCJPBUISV-GWOFURMSSA-N 2 0 227.352 0.746 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000876935220 590258932 /nfs/dbraw/zinc/25/89/32/590258932.db2.gz RMLOAEHXDMGGBV-CFGSLIKFSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876936386 590258954 /nfs/dbraw/zinc/25/89/54/590258954.db2.gz YNHAJYCJPBUISV-VLEAKVRGSA-N 2 0 227.352 0.746 20 0 BCADRP CC[C@H](C(=O)NCCCCCC[NH3+])[NH+](C)C ZINC000876938696 590258975 /nfs/dbraw/zinc/25/89/75/590258975.db2.gz NSAATXCCSSZNHC-LLVKDONJSA-N 2 0 229.368 0.962 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)NCCCCCC[NH3+])C1 ZINC000876937939 590259087 /nfs/dbraw/zinc/25/90/87/590259087.db2.gz JNJZMXOKNUDNAA-LBPRGKRZSA-N 2 0 241.379 0.964 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)NCCC2(C[NH3+])CC2)C1(F)F ZINC000876947425 590259939 /nfs/dbraw/zinc/25/99/39/590259939.db2.gz GWXMPKRDUYJIMT-HTQZYQBOSA-N 2 0 247.289 0.072 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000876948987 590260095 /nfs/dbraw/zinc/26/00/95/590260095.db2.gz YFRZUUGRFDGWTR-VHSXEESVSA-N 2 0 239.363 0.605 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876951764 590260402 /nfs/dbraw/zinc/26/04/02/590260402.db2.gz FWYUYOFQGVCIDB-HXFLIBJXSA-N 2 0 247.289 0.165 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000876977744 590263787 /nfs/dbraw/zinc/26/37/87/590263787.db2.gz CMFKNALSUVHHGU-OPRDCNLKSA-N 2 0 213.325 0.228 20 0 BCADRP CC1(C)[C@H](C(=O)N[C@@]2(C)CC[NH2+]C2)C[C@@H]1[NH3+] ZINC000876979890 590264258 /nfs/dbraw/zinc/26/42/58/590264258.db2.gz BHWQZJKFYCELRS-AUTRQRHGSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@]1(NC(=O)/C=C/[C@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000876980062 590264422 /nfs/dbraw/zinc/26/44/22/590264422.db2.gz DYHGLENHBWVHHJ-FVKZJRLBSA-N 2 0 237.347 0.410 20 0 BCADRP C[C@]1(NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC[NH2+]C1 ZINC000876981245 590264789 /nfs/dbraw/zinc/26/47/89/590264789.db2.gz SBZZRDCRCASQSJ-UMNHJUIQSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000876997859 590267113 /nfs/dbraw/zinc/26/71/13/590267113.db2.gz JAFIUIYLFMGIRC-NEPJUHHUSA-N 2 0 239.363 0.570 20 0 BCADRP CCN(CC[NH3+])C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000877005772 590268531 /nfs/dbraw/zinc/26/85/31/590268531.db2.gz MFQVJEIAVPBGDX-QRGHLMKCSA-N 2 0 225.336 0.349 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)C[NH2+]1 ZINC000877045625 590273909 /nfs/dbraw/zinc/27/39/09/590273909.db2.gz DCCVNUPOOCRYRV-YTWAJWBKSA-N 2 0 239.363 0.617 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C[NH2+]1 ZINC000877045710 590274139 /nfs/dbraw/zinc/27/41/39/590274139.db2.gz FKJZUDQFTSUKOJ-YFKTTZPYSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)CCCCC[NH3+])C[NH2+]1 ZINC000877050962 590274670 /nfs/dbraw/zinc/27/46/70/590274670.db2.gz JZEYKEPAZXMDMR-GHMZBOCLSA-N 2 0 227.352 0.762 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)C[NH2+]1 ZINC000877052338 590275118 /nfs/dbraw/zinc/27/51/18/590275118.db2.gz QVKBSFLDRWBAOO-RCWTZXSCSA-N 2 0 243.326 0.191 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000877081476 590280018 /nfs/dbraw/zinc/28/00/18/590280018.db2.gz CGNIGQKYXLSANW-VWYCJHECSA-N 2 0 243.326 0.144 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877096168 590282110 /nfs/dbraw/zinc/28/21/10/590282110.db2.gz ZGSXOBQIURBEIC-YEJSDXFRSA-N 2 0 239.363 0.713 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877102705 590283536 /nfs/dbraw/zinc/28/35/36/590283536.db2.gz MFVONGCVWYCDHK-UTLUCORTSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000877102465 590283661 /nfs/dbraw/zinc/28/36/61/590283661.db2.gz ISZPPXCGKJLMHR-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103091 590283921 /nfs/dbraw/zinc/28/39/21/590283921.db2.gz QCUXFKGIYOORNK-SECBINFHSA-N 2 0 201.314 0.134 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000877103660 590284248 /nfs/dbraw/zinc/28/42/48/590284248.db2.gz XOHFNIPNLFSRSW-CMPLNLGQSA-N 2 0 235.331 0.882 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)c1cccc2c1C[NH2+]C2 ZINC000877104448 590284471 /nfs/dbraw/zinc/28/44/71/590284471.db2.gz CASTXDHQNWPNFV-SECBINFHSA-N 2 0 233.315 0.709 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)c1ccccc1CC[NH3+] ZINC000877105719 590284827 /nfs/dbraw/zinc/28/48/27/590284827.db2.gz RONNEKWEABJYSD-JTQLQIEISA-N 2 0 235.331 0.607 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000877105350 590284933 /nfs/dbraw/zinc/28/49/33/590284933.db2.gz OJPXFDFXZRFBKG-GXFFZTMASA-N 2 0 247.342 0.679 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000877106111 590284983 /nfs/dbraw/zinc/28/49/83/590284983.db2.gz QKCJSPTZHLWIDD-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)c1cccc2c1CC[NH2+]C2 ZINC000877106860 590285517 /nfs/dbraw/zinc/28/55/17/590285517.db2.gz XGCPAENJHQTALV-JTQLQIEISA-N 2 0 247.342 0.752 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877106285 590285521 /nfs/dbraw/zinc/28/55/21/590285521.db2.gz WOVUNPMFIIQHFX-LLVKDONJSA-N 2 0 249.358 0.868 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000877107427 590285762 /nfs/dbraw/zinc/28/57/62/590285762.db2.gz FHMQROBNKBBMGU-OPRDCNLKSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CC[NH2+]CC1CC1 ZINC000877112305 590287246 /nfs/dbraw/zinc/28/72/46/590287246.db2.gz UBDHSXWEVTYQII-GXSJLCMTSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000877112803 590287375 /nfs/dbraw/zinc/28/73/75/590287375.db2.gz XLMNOAODUHKBEC-MSLYCWSTSA-N 2 0 237.347 0.385 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000877111223 590287439 /nfs/dbraw/zinc/28/74/39/590287439.db2.gz HPCCELPKPBCBCV-UKKRHICBSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000877111941 590287544 /nfs/dbraw/zinc/28/75/44/590287544.db2.gz PDEFQOFAUQZOBS-JLIMGVALSA-N 2 0 225.336 0.226 20 0 BCADRP [NH3+][C@H](CC(=O)N1CCCCC[C@H]([NH3+])C1)C1CC1 ZINC000877126935 590290096 /nfs/dbraw/zinc/29/00/96/590290096.db2.gz WQETWCMYRYSDJZ-NWDGAFQWSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)[NH+](C)C ZINC000877150839 590292627 /nfs/dbraw/zinc/29/26/27/590292627.db2.gz CZCOFTCFKJIFHH-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877153733 590293173 /nfs/dbraw/zinc/29/31/73/590293173.db2.gz YFQZXVZTBVBYFR-UWVGGRQHSA-N 2 0 227.352 0.476 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877155707 590293354 /nfs/dbraw/zinc/29/33/54/590293354.db2.gz WWQRPJMIYXOKLQ-GHMZBOCLSA-N 2 0 241.379 0.879 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877157733 590293795 /nfs/dbraw/zinc/29/37/95/590293795.db2.gz LNUVPQWIYYSXCZ-NSHDSACASA-N 2 0 241.379 0.880 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877157977 590293833 /nfs/dbraw/zinc/29/38/33/590293833.db2.gz MUPCAQFCXISUEY-MNOVXSKESA-N 2 0 241.379 0.736 20 0 BCADRP CC1(C)CC[C@H](CNC(=O)CCC[NH3+])[NH2+]C1 ZINC000877158231 590294058 /nfs/dbraw/zinc/29/40/58/590294058.db2.gz QGNIVMLCEFMONH-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)(C[NH3+])C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877158831 590294204 /nfs/dbraw/zinc/29/42/04/590294204.db2.gz ZCCODWOOEYVKQO-JTQLQIEISA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877171214 590295793 /nfs/dbraw/zinc/29/57/93/590295793.db2.gz BTSWQRYVNUSPJD-KQXIARHKSA-N 2 0 237.347 0.467 20 0 BCADRP CC1(C)[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1[NH3+] ZINC000877172601 590296434 /nfs/dbraw/zinc/29/64/34/590296434.db2.gz URJMEOIVWRRGRX-VLEAKVRGSA-N 2 0 237.347 0.323 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877191694 590298876 /nfs/dbraw/zinc/29/88/76/590298876.db2.gz BPMMSWUAUUTUSA-UHFFFAOYSA-N 2 0 225.336 0.454 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]([NH3+])CC(F)F ZINC000877188325 590298895 /nfs/dbraw/zinc/29/88/95/590298895.db2.gz ZLINKSTWMQISMO-KAIZJQOQSA-N 2 0 247.289 0.451 20 0 BCADRP C[NH2+]CC(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000877201366 590300314 /nfs/dbraw/zinc/30/03/14/590300314.db2.gz XUBREUXTDXUOKJ-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242589 590302760 /nfs/dbraw/zinc/30/27/60/590302760.db2.gz GLQASTHHQLWAQM-BKUVIOGVSA-N 2 0 239.363 0.713 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877244322 590302985 /nfs/dbraw/zinc/30/29/85/590302985.db2.gz ANZWBCXPQBNEHW-CEJFKWHISA-N 2 0 237.347 0.252 20 0 BCADRP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[NH+](CC)CC ZINC000877243768 590302995 /nfs/dbraw/zinc/30/29/95/590302995.db2.gz UDHCQBULIIDIAD-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)/C=C\[C@H]2CCC[NH2+]C2)C1 ZINC000877244310 590303241 /nfs/dbraw/zinc/30/32/41/590303241.db2.gz AMNBVZDVBGCALK-CRTFULIASA-N 2 0 237.347 0.396 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC[C@H]21 ZINC000877248879 590303510 /nfs/dbraw/zinc/30/35/10/590303510.db2.gz FZRQFUUYMUCGKB-KIJLLGNVSA-N 2 0 249.358 0.004 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH3+])CC3)CC[C@H]21 ZINC000877250923 590303729 /nfs/dbraw/zinc/30/37/29/590303729.db2.gz UISCTNDRLRNODL-NXEZZACHSA-N 2 0 223.320 0.030 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000877246004 590303739 /nfs/dbraw/zinc/30/37/39/590303739.db2.gz SUIJUTYOLJJVAZ-MGCOHNPYSA-N 2 0 225.336 0.502 20 0 BCADRP C[C@@H](NC(=O)CC1([NH3+])CC1)C1CC[NH2+]CC1 ZINC000877253825 590304105 /nfs/dbraw/zinc/30/41/05/590304105.db2.gz GFYMYAXAQFFICJ-SECBINFHSA-N 2 0 225.336 0.372 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000877254500 590304152 /nfs/dbraw/zinc/30/41/52/590304152.db2.gz WFDLQWXNUWXDLY-ZJUUUORDSA-N 2 0 227.352 0.489 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000877254508 590304188 /nfs/dbraw/zinc/30/41/88/590304188.db2.gz WFDLQWXNUWXDLY-VHSXEESVSA-N 2 0 227.352 0.489 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000877254499 590304273 /nfs/dbraw/zinc/30/42/73/590304273.db2.gz WFDLQWXNUWXDLY-NXEZZACHSA-N 2 0 227.352 0.489 20 0 BCADRP CC1(C)[C@H](C(=O)N2CCCC[C@@H]2C[NH3+])C[C@@H]1[NH3+] ZINC000877259723 590304422 /nfs/dbraw/zinc/30/44/22/590304422.db2.gz ZCZUGERFVXNVED-VWYCJHECSA-N 2 0 239.363 0.700 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000877254507 590304424 /nfs/dbraw/zinc/30/44/24/590304424.db2.gz WFDLQWXNUWXDLY-UWVGGRQHSA-N 2 0 227.352 0.489 20 0 BCADRP C[C@H](NC(=O)[C@H](C)[NH+](C)C)C1CC[NH2+]CC1 ZINC000877252919 590304467 /nfs/dbraw/zinc/30/44/67/590304467.db2.gz BKJRPQMPBAEWNB-UWVGGRQHSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)[NH+](C)C ZINC000877271005 590305249 /nfs/dbraw/zinc/30/52/49/590305249.db2.gz AQINKICVXQRVIZ-DCAQKATOSA-N 2 0 225.336 0.289 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877273225 590305622 /nfs/dbraw/zinc/30/56/22/590305622.db2.gz CNWRXZUWYQJEKK-HBNTYKKESA-N 2 0 225.336 0.337 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877283786 590306981 /nfs/dbraw/zinc/30/69/81/590306981.db2.gz RHECRJYKVNXVLY-IJLUTSLNSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877286660 590307090 /nfs/dbraw/zinc/30/70/90/590307090.db2.gz GAPDIANFRULWJG-ZJUUUORDSA-N 2 0 225.336 0.467 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877287523 590307131 /nfs/dbraw/zinc/30/71/31/590307131.db2.gz LQKYJPXLVYNVJG-AXFHLTTASA-N 2 0 225.336 0.195 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000877293153 590307212 /nfs/dbraw/zinc/30/72/12/590307212.db2.gz YIABOSRKYLNIOT-XYPYZODXSA-N 2 0 227.352 0.892 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877286659 590307231 /nfs/dbraw/zinc/30/72/31/590307231.db2.gz GAPDIANFRULWJG-VHSXEESVSA-N 2 0 225.336 0.467 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH3+])CC2)C1(F)F ZINC000877293556 590308137 /nfs/dbraw/zinc/30/81/37/590308137.db2.gz QFAYJFNRSUGTGW-FNCVBFRFSA-N 2 0 247.289 0.213 20 0 BCADRP [NH3+]C1(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000877346775 590318609 /nfs/dbraw/zinc/31/86/09/590318609.db2.gz HSWNZFTYAVPLNO-LBPRGKRZSA-N 2 0 245.326 0.308 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877347602 590319282 /nfs/dbraw/zinc/31/92/82/590319282.db2.gz LHNRGNNFTMCEHN-BXKDBHETSA-N 2 0 233.315 0.164 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1C[C@@]13CC[NH2+]C3)C2 ZINC000877374217 590319585 /nfs/dbraw/zinc/31/95/85/590319585.db2.gz BWZSTNBAOQUDQL-CDGCEXEKSA-N 2 0 249.358 0.054 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373994 590319749 /nfs/dbraw/zinc/31/97/49/590319749.db2.gz SOFNELHPEYRYRQ-QFOLPQNPSA-N 2 0 225.336 0.038 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373810 590320223 /nfs/dbraw/zinc/32/02/23/590320223.db2.gz KHMJJZLUPXCBDR-OUJBWJOFSA-N 2 0 237.347 0.052 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877380219 590320352 /nfs/dbraw/zinc/32/03/52/590320352.db2.gz XVYVNXIHWMZYEI-CYZMBNFOSA-N 2 0 239.363 0.572 20 0 BCADRP O=C(CC[NH2+]C1CC1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877386232 590320534 /nfs/dbraw/zinc/32/05/34/590320534.db2.gz HCYITEPAMHSKTH-DGCLKSJQSA-N 2 0 237.347 0.529 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877386068 590321058 /nfs/dbraw/zinc/32/10/58/590321058.db2.gz GIJWZIITYRJCPN-CMPLNLGQSA-N 2 0 225.336 0.385 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877387407 590321373 /nfs/dbraw/zinc/32/13/73/590321373.db2.gz YMUWRDZKKGQNBV-JFGNBEQYSA-N 2 0 225.336 0.385 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877399300 590322685 /nfs/dbraw/zinc/32/26/85/590322685.db2.gz MMRARHHSRZXWFL-MFKMUULPSA-N 2 0 239.363 0.905 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877398857 590322894 /nfs/dbraw/zinc/32/28/94/590322894.db2.gz IAVAIXADOWFERF-LOWVWBTDSA-N 2 0 237.347 0.529 20 0 BCADRP [NH3+]C1(CC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CCC1 ZINC000877398818 590322949 /nfs/dbraw/zinc/32/29/49/590322949.db2.gz HJFHSJCSPOXJBA-GWCFXTLKSA-N 2 0 237.347 0.659 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877399268 590323020 /nfs/dbraw/zinc/32/30/20/590323020.db2.gz LVNOLGBWUGXOLR-ATZCPNFKSA-N 2 0 211.309 0.125 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877398874 590323385 /nfs/dbraw/zinc/32/33/85/590323385.db2.gz INELJJYXZIEWHM-WCQYABFASA-N 2 0 239.363 0.775 20 0 BCADRP [NH3+]CCCC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877400073 590323755 /nfs/dbraw/zinc/32/37/55/590323755.db2.gz RXEWVKTUTNSROT-KOLCDFICSA-N 2 0 211.309 0.126 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)CCCCCC[NH3+] ZINC000877436223 590327010 /nfs/dbraw/zinc/32/70/10/590327010.db2.gz CVSVKEJJXVDBMI-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)C1CC[NH2+]CC1 ZINC000877444931 590328540 /nfs/dbraw/zinc/32/85/40/590328540.db2.gz QMRFMRFTTHAIAX-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)[C@]1(F)CC[NH2+]C1 ZINC000877444731 590328871 /nfs/dbraw/zinc/32/88/71/590328871.db2.gz PFNVOPHXFIDWHJ-LBPRGKRZSA-N 2 0 245.342 0.666 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877451652 590330231 /nfs/dbraw/zinc/33/02/31/590330231.db2.gz SCFPMPMJMIAYBU-OBPIAQAESA-N 2 0 249.358 0.147 20 0 BCADRP C[N@@H+]1CC[C@H]2C[NH+](CCCCO)CC[C@@H]21 ZINC000879572449 590809071 /nfs/dbraw/zinc/80/90/71/590809071.db2.gz HJGCDEAIUVZSMP-RYUDHWBXSA-N 2 0 212.337 0.785 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)C3CC3)CC[C@@H]21 ZINC000879580582 590820850 /nfs/dbraw/zinc/82/08/50/590820850.db2.gz UHLDXAQOPZTRTB-FRRDWIJNSA-N 2 0 224.348 0.783 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC ZINC000882485676 591361053 /nfs/dbraw/zinc/36/10/53/591361053.db2.gz KADSWLGBXYHCRA-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC ZINC000882485677 591361209 /nfs/dbraw/zinc/36/12/09/591361209.db2.gz KADSWLGBXYHCRA-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000882486351 591361694 /nfs/dbraw/zinc/36/16/94/591361694.db2.gz QMJCZTULLRQKGA-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000882485466 591362377 /nfs/dbraw/zinc/36/23/77/591362377.db2.gz SSDAHKQAHRPZKZ-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC)[NH+](C)C ZINC000882489210 591367742 /nfs/dbraw/zinc/36/77/42/591367742.db2.gz OMUNATTZFBPTIO-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000129790370 591404799 /nfs/dbraw/zinc/40/47/99/591404799.db2.gz KDIJGZARARVOFE-KOLCDFICSA-N 2 0 225.336 0.182 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000129824985 591411110 /nfs/dbraw/zinc/41/11/10/591411110.db2.gz XTSSTOLYHNXFKC-QWRGUYRKSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](CNC(=O)c1ccnc(C[NH3+])c1)[NH+](C)C ZINC000130139176 591441853 /nfs/dbraw/zinc/44/18/53/591441853.db2.gz PUSNVHLNHVBTTE-VIFPVBQESA-N 2 0 236.319 0.220 20 0 BCADRP Cc1cc(N[C@@H](C)C[NH+](C)C)nc(N)[nH+]1 ZINC000130768952 591520024 /nfs/dbraw/zinc/52/00/24/591520024.db2.gz UDCANMSDSPKPRU-QMMMGPOBSA-N 2 0 209.297 0.729 20 0 BCADRP COC[C@H]1C[C@@H]([NH2+][C@@H]2CN(C)C[C@H]2C)C1 ZINC000883316104 591612368 /nfs/dbraw/zinc/61/23/68/591612368.db2.gz KSKNATPXMFMXLC-WISYIIOYSA-N 2 0 212.337 0.951 20 0 BCADRP CCN1CC[C@@H]1C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000883354898 591626455 /nfs/dbraw/zinc/62/64/55/591626455.db2.gz DQHROURGEWQMBZ-IJLUTSLNSA-N 2 0 211.353 0.620 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883416085 591652127 /nfs/dbraw/zinc/65/21/27/591652127.db2.gz LPYYVWIXGAZJMN-NOOOWODRSA-N 2 0 229.343 0.888 20 0 BCADRP [NH3+][C@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883416352 591652557 /nfs/dbraw/zinc/65/25/57/591652557.db2.gz SLPSHIUFFGLMBF-GUBZILKMSA-N 2 0 201.289 0.110 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN(C2CC2)C2CC[NH2+]CC2)C1 ZINC000883416189 591653038 /nfs/dbraw/zinc/65/30/38/591653038.db2.gz OJDBNIXAPJIBNQ-QWRGUYRKSA-N 2 0 241.354 0.903 20 0 BCADRP [NH3+]CC1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883416193 591653173 /nfs/dbraw/zinc/65/31/73/591653173.db2.gz ORYMTBJBGGYAFI-QWRGUYRKSA-N 2 0 215.316 0.357 20 0 BCADRP C[C@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CC[C@H]1[NH3+] ZINC000883417747 591654267 /nfs/dbraw/zinc/65/42/67/591654267.db2.gz LOCVUXDAWHQOOS-XWLWVQCSSA-N 2 0 215.316 0.356 20 0 BCADRP C[C@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)[C@H]1C[NH3+] ZINC000883417724 591654308 /nfs/dbraw/zinc/65/43/08/591654308.db2.gz LCOYSXNEDANHIB-BJDJZHNGSA-N 2 0 229.343 0.746 20 0 BCADRP C[C@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CC[C@@H]1[NH3+] ZINC000883417744 591654763 /nfs/dbraw/zinc/65/47/63/591654763.db2.gz LOCVUXDAWHQOOS-NAKRPEOUSA-N 2 0 215.316 0.356 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CC[NH+](CC3CC3)CC2)C1 ZINC000883423648 591658597 /nfs/dbraw/zinc/65/85/97/591658597.db2.gz QOMQOVJZUSIGOF-STQMWFEESA-N 2 0 241.354 0.714 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CCC3(C2)CC[NH2+]CC3)C1 ZINC000883424648 591658624 /nfs/dbraw/zinc/65/86/24/591658624.db2.gz ZDJPCTRTFSAQHX-RYUDHWBXSA-N 2 0 241.354 0.762 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883424984 591659568 /nfs/dbraw/zinc/65/95/68/591659568.db2.gz IYLNXDWVFCBQIQ-VLEAKVRGSA-N 2 0 215.316 0.356 20 0 BCADRP CC[C@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CC[C@@H]1[NH3+] ZINC000883426911 591659793 /nfs/dbraw/zinc/65/97/93/591659793.db2.gz CTRJKEUZAAUNGD-BJDJZHNGSA-N 2 0 229.343 0.746 20 0 BCADRP CN(C[C@@H]1C[C@H](F)C[NH2+]1)C1CC([NH3+])C1 ZINC000883429139 591660131 /nfs/dbraw/zinc/66/01/31/591660131.db2.gz MRSUYGVBCSOHBL-FMLYDFSMSA-N 2 0 201.289 0.108 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000883428294 591660526 /nfs/dbraw/zinc/66/05/26/591660526.db2.gz QKWGFRRYUVAUAA-BJDJZHNGSA-N 2 0 227.327 0.370 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000883430343 591661489 /nfs/dbraw/zinc/66/14/89/591661489.db2.gz SMYBLKQLCIKVBQ-AVGNSLFASA-N 2 0 241.354 0.762 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883430074 591661978 /nfs/dbraw/zinc/66/19/78/591661978.db2.gz MQNXUJJOCGMWQV-GCHJQGSQSA-N 2 0 229.343 0.663 20 0 BCADRP C[C@@H]1C[C@H](C)N(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C[NH3+] ZINC000883432860 591662791 /nfs/dbraw/zinc/66/27/91/591662791.db2.gz BTWFGBIEVOHQTG-MOLYVOAJSA-N 2 0 243.370 0.992 20 0 BCADRP C[C@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@H]1C[NH3+] ZINC000883432375 591663497 /nfs/dbraw/zinc/66/34/97/591663497.db2.gz QFNRGSQFDNTFSE-USZNOCQGSA-N 2 0 229.343 0.603 20 0 BCADRP c1n[nH]cc1CCN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000883433455 591664287 /nfs/dbraw/zinc/66/42/87/591664287.db2.gz QHRACDBDFFMJRZ-LBPRGKRZSA-N 2 0 220.320 0.780 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883435128 591664505 /nfs/dbraw/zinc/66/45/05/591664505.db2.gz LDOCXUDAJGABOP-NAKRPEOUSA-N 2 0 215.316 0.498 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883435067 591664704 /nfs/dbraw/zinc/66/47/04/591664704.db2.gz JULBMVRXSLYSRV-ZFQMDJOTSA-N 2 0 241.354 0.890 20 0 BCADRP [NH3+][C@@]12CCC[C@H]1CN(C[C@@H]1C[C@H](F)C[NH2+]1)C2 ZINC000883436899 591665501 /nfs/dbraw/zinc/66/55/01/591665501.db2.gz DZIKBZHOEMFBSZ-FIQHERPVSA-N 2 0 227.327 0.500 20 0 BCADRP CC1(C)[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C[C@@H]1[NH3+] ZINC000883441218 591668768 /nfs/dbraw/zinc/66/87/68/591668768.db2.gz KCBUACNVPLZROE-AATLWQCWSA-N 2 0 215.316 0.402 20 0 BCADRP C[N@@H+]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1(C)C ZINC000883448208 591671415 /nfs/dbraw/zinc/67/14/15/591671415.db2.gz XDPGYIUPNSCKHR-QWRGUYRKSA-N 2 0 229.343 0.712 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000131860664 591672349 /nfs/dbraw/zinc/67/23/49/591672349.db2.gz XVXNZRRLRBIHKC-OPRDCNLKSA-N 2 0 213.325 0.179 20 0 BCADRP c1ncc2c(n1)CC[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000883462559 591673748 /nfs/dbraw/zinc/67/37/48/591673748.db2.gz UFKXVERSYYSRFB-LLVKDONJSA-N 2 0 232.331 0.834 20 0 BCADRP CC(C)C[C@@H](C(N)=O)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000883461952 591674415 /nfs/dbraw/zinc/67/44/15/591674415.db2.gz GXYBLUJJJZUSFR-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+]CCOCCN1CC[NH2+]CCC12CCC2 ZINC000883459263 591674627 /nfs/dbraw/zinc/67/46/27/591674627.db2.gz QCDVPACHUVIGEI-UHFFFAOYSA-N 2 0 227.352 0.180 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132968096 591751494 /nfs/dbraw/zinc/75/14/94/591751494.db2.gz SIHOOBDCXLALAL-OPRDCNLKSA-N 2 0 213.325 0.323 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000884005101 591792991 /nfs/dbraw/zinc/79/29/91/591792991.db2.gz UDNJNWGCWAYIFQ-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000884005246 591793013 /nfs/dbraw/zinc/79/30/13/591793013.db2.gz ZFIDOHLLNWWGKF-GHMZBOCLSA-N 2 0 241.379 0.946 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCC([NH3+])CC1 ZINC000884005085 591793071 /nfs/dbraw/zinc/79/30/71/591793071.db2.gz SYBUFDJIDLFGJG-NSHDSACASA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000884004948 591793615 /nfs/dbraw/zinc/79/36/15/591793615.db2.gz PQFLGRYAKVYUQP-NXEZZACHSA-N 2 0 211.309 0.064 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884011804 591797661 /nfs/dbraw/zinc/79/76/61/591797661.db2.gz QFCUDXITOSKSBX-NXEZZACHSA-N 2 0 225.336 0.100 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000884012969 591798452 /nfs/dbraw/zinc/79/84/52/591798452.db2.gz ZTPRXYNQFNSARL-LLVKDONJSA-N 2 0 239.363 0.348 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884012494 591798762 /nfs/dbraw/zinc/79/87/62/591798762.db2.gz MCYIYJFLFSAJCA-MNOVXSKESA-N 2 0 241.379 0.864 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884014145 591799773 /nfs/dbraw/zinc/79/97/73/591799773.db2.gz CBMADXPSOMVUCN-JTQLQIEISA-N 2 0 227.352 0.348 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000884016828 591800649 /nfs/dbraw/zinc/80/06/49/591800649.db2.gz FKIKSVKVCKEPLE-MNOVXSKESA-N 2 0 239.363 0.348 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000884026020 591807091 /nfs/dbraw/zinc/80/70/91/591807091.db2.gz PZOUXEXQSKYSPQ-LLVKDONJSA-N 2 0 227.352 0.618 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000884026825 591810245 /nfs/dbraw/zinc/81/02/45/591810245.db2.gz MNTHQMXBLAVOGV-QWRGUYRKSA-N 2 0 239.363 0.348 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884032656 591813522 /nfs/dbraw/zinc/81/35/22/591813522.db2.gz ZGIFFICWMGPMJO-IUCAKERBSA-N 2 0 213.325 0.038 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2C[NH2+]CC2(C)C)CC[NH2+]1 ZINC000884031739 591814853 /nfs/dbraw/zinc/81/48/53/591814853.db2.gz YTWRSZJWAQPPAP-VHSXEESVSA-N 2 0 225.336 0.052 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884035989 591817410 /nfs/dbraw/zinc/81/74/10/591817410.db2.gz LZFOCAAYKUNDQA-VIFPVBQESA-N 2 0 213.325 0.039 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]([NH3+])CC1CC1 ZINC000884040816 591822991 /nfs/dbraw/zinc/82/29/91/591822991.db2.gz DYYCDTFBHLVOIN-SNVBAGLBSA-N 2 0 227.352 0.557 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884041513 591823085 /nfs/dbraw/zinc/82/30/85/591823085.db2.gz ADHRGRKXHUZBSI-RYUDHWBXSA-N 2 0 241.379 0.946 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@H](C)C[NH3+] ZINC000884237889 591876146 /nfs/dbraw/zinc/87/61/46/591876146.db2.gz OFMSFGUEBRHMTG-VHSXEESVSA-N 2 0 229.368 0.707 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H](C)C[NH3+] ZINC000884237888 591876254 /nfs/dbraw/zinc/87/62/54/591876254.db2.gz OFMSFGUEBRHMTG-UWVGGRQHSA-N 2 0 229.368 0.707 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000884238364 591877861 /nfs/dbraw/zinc/87/78/61/591877861.db2.gz ZYJCJXHLFYQPNM-RYUDHWBXSA-N 2 0 237.347 0.467 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000884241865 591879189 /nfs/dbraw/zinc/87/91/89/591879189.db2.gz DMFDHHFXDLKWJO-ZJUUUORDSA-N 2 0 225.336 0.086 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000884273578 591889298 /nfs/dbraw/zinc/88/92/98/591889298.db2.gz SQXFBTOPWVSTCZ-SRVKXCTJSA-N 2 0 241.379 0.877 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000884293482 591896134 /nfs/dbraw/zinc/89/61/34/591896134.db2.gz DHXQIHFVQGQLCC-UTUOFQBUSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000884296603 591897160 /nfs/dbraw/zinc/89/71/60/591897160.db2.gz BEKHINXHPOVHMM-UTLUCORTSA-N 2 0 229.368 0.848 20 0 BCADRP [NH3+]CC[C@H](NC(=O)[C@H]([NH3+])CC1CC1)C(F)F ZINC000884296626 591897169 /nfs/dbraw/zinc/89/71/69/591897169.db2.gz BPEPKKOYKVFKFG-SFYZADRCSA-N 2 0 235.278 0.213 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000884297875 591897783 /nfs/dbraw/zinc/89/77/83/591897783.db2.gz YSZRCQHKOLCHJE-UTLUCORTSA-N 2 0 215.341 0.472 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000884302975 591898873 /nfs/dbraw/zinc/89/88/73/591898873.db2.gz CTTJRGLBTHYIGR-OUAUKWLOSA-N 2 0 239.363 0.476 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000884304151 591899455 /nfs/dbraw/zinc/89/94/55/591899455.db2.gz HUCWPWGHCUFHHA-VWYCJHECSA-N 2 0 237.347 0.052 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000884300292 591899725 /nfs/dbraw/zinc/89/97/25/591899725.db2.gz UUOQTDMNTLEVPG-VXGBXAGGSA-N 2 0 239.363 0.762 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000884302973 591899790 /nfs/dbraw/zinc/89/97/90/591899790.db2.gz CTTJRGLBTHYIGR-GMTAPVOTSA-N 2 0 239.363 0.476 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000884304716 591901174 /nfs/dbraw/zinc/90/11/74/591901174.db2.gz YPWRXVOEPZGXOA-VHSXEESVSA-N 2 0 239.363 0.489 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884338821 591904612 /nfs/dbraw/zinc/90/46/12/591904612.db2.gz TVIOBLNFMCXEIQ-UWVGGRQHSA-N 2 0 227.352 0.603 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000884347732 591909157 /nfs/dbraw/zinc/90/91/57/591909157.db2.gz DFQQRKBEVAEQDO-NXEZZACHSA-N 2 0 239.363 0.748 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C1([NH3+])CCCC1 ZINC000884348235 591909741 /nfs/dbraw/zinc/90/97/41/591909741.db2.gz RLSVFWRHQWYXEF-RKDXNWHRSA-N 2 0 225.336 0.500 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000884348279 591909746 /nfs/dbraw/zinc/90/97/46/591909746.db2.gz SSJIFGQNSMUMDB-NXEZZACHSA-N 2 0 239.363 0.890 20 0 BCADRP CC1(C)[C@H](NC(=O)c2ccnc(C[NH3+])c2)C[C@@H]1[NH3+] ZINC000884357543 591911797 /nfs/dbraw/zinc/91/17/97/591911797.db2.gz AHNXLGGRGLEIHB-WDEREUQCSA-N 2 0 248.330 0.396 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1ccnc(C[NH3+])c1 ZINC000884357541 591911841 /nfs/dbraw/zinc/91/18/41/591911841.db2.gz AHNXLGGRGLEIHB-MNOVXSKESA-N 2 0 248.330 0.396 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884358919 591912320 /nfs/dbraw/zinc/91/23/20/591912320.db2.gz ZZPPIGKDWGARHC-HRDYMLBCSA-N 2 0 225.336 0.226 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884358764 591912505 /nfs/dbraw/zinc/91/25/05/591912505.db2.gz XOOXXSFBLQUFHV-JBDRJPRFSA-N 2 0 213.325 0.212 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884358765 591912523 /nfs/dbraw/zinc/91/25/23/591912523.db2.gz XOOXXSFBLQUFHV-MAUMQABQSA-N 2 0 213.325 0.212 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000884358098 591912963 /nfs/dbraw/zinc/91/29/63/591912963.db2.gz LHADDFOBELLTNK-DNJQJEMRSA-N 2 0 237.347 0.228 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]([NH3+])CC(F)F ZINC000884357920 591913081 /nfs/dbraw/zinc/91/30/81/591913081.db2.gz IMIPCDRUWXDAMW-XVMARJQXSA-N 2 0 235.278 0.211 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C)[NH+](C)C ZINC000884358860 591913132 /nfs/dbraw/zinc/91/31/32/591913132.db2.gz ZNUCGPISUYEMDO-GMTAPVOTSA-N 2 0 241.379 0.815 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)CC[N@@H+]1C ZINC000884361705 591914299 /nfs/dbraw/zinc/91/42/99/591914299.db2.gz XJKFJQOFRANMFX-DBIOUOCHSA-N 2 0 239.363 0.569 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000884360732 591914660 /nfs/dbraw/zinc/91/46/60/591914660.db2.gz FYIWPNXFQYQYDD-AXFHLTTASA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000884362404 591915960 /nfs/dbraw/zinc/91/59/60/591915960.db2.gz KLWOVHSPALMNOV-ZDCRXTMVSA-N 2 0 239.363 0.746 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000884363720 591916298 /nfs/dbraw/zinc/91/62/98/591916298.db2.gz HTRIWCYCDJEKGS-DOLQZWNJSA-N 2 0 243.326 0.176 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000884364348 591916317 /nfs/dbraw/zinc/91/63/17/591916317.db2.gz QKMHJFHHMNDZMW-GWOFURMSSA-N 2 0 239.363 0.746 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000884364347 591916565 /nfs/dbraw/zinc/91/65/65/591916565.db2.gz QKMHJFHHMNDZMW-DBIOUOCHSA-N 2 0 239.363 0.746 20 0 BCADRP CC1(C)[C@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)C[C@@H]1[NH3+] ZINC000884364935 591916576 /nfs/dbraw/zinc/91/65/76/591916576.db2.gz APKMHWDTLVXWGY-KXUCPTDWSA-N 2 0 239.363 0.474 20 0 BCADRP CC1(C)[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H]1[NH3+] ZINC000884365956 591917177 /nfs/dbraw/zinc/91/71/77/591917177.db2.gz RAUJXOMDBDRJQJ-CHWFTXMASA-N 2 0 239.363 0.746 20 0 BCADRP CC1(C)[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)C[C@@H]1[NH3+] ZINC000884365937 591917393 /nfs/dbraw/zinc/91/73/93/591917393.db2.gz QURNHNSSZJKPLG-SBMIAAHKSA-N 2 0 225.336 0.371 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000884366371 591917513 /nfs/dbraw/zinc/91/75/13/591917513.db2.gz YPMXESOMFICKFT-YWIQKCBGSA-N 2 0 247.289 0.068 20 0 BCADRP C[C@H](C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C)[NH+](C)C ZINC000884365602 591917539 /nfs/dbraw/zinc/91/75/39/591917539.db2.gz LKKVIHOECJZKDI-HRDYMLBCSA-N 2 0 213.325 0.179 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884365372 591917687 /nfs/dbraw/zinc/91/76/87/591917687.db2.gz IGYHZYKUEQTOBC-BBBLOLIVSA-N 2 0 225.336 0.356 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884372575 591918614 /nfs/dbraw/zinc/91/86/14/591918614.db2.gz PLRRPZHNTOPXSM-NRPADANISA-N 2 0 213.325 0.356 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000884372476 591919145 /nfs/dbraw/zinc/91/91/45/591919145.db2.gz NWCLMZDAGOUFGD-MXWKQRLJSA-N 2 0 229.368 0.863 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000884390347 591923717 /nfs/dbraw/zinc/92/37/17/591923717.db2.gz UKLXDVDGPMUKFE-SRVKXCTJSA-N 2 0 241.379 0.959 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884396128 591924040 /nfs/dbraw/zinc/92/40/40/591924040.db2.gz VFNWWUKVWQIFOC-VIFPVBQESA-N 2 0 227.352 0.428 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884408629 591926294 /nfs/dbraw/zinc/92/62/94/591926294.db2.gz NNPZPIQNKAMPEK-YZRBJQDESA-N 2 0 223.320 0.064 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000884426877 591930915 /nfs/dbraw/zinc/93/09/15/591930915.db2.gz XOYSOYSLRPKGOL-DMDPSCGWSA-N 2 0 237.347 0.454 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@H]([NH3+])CC2CC2)C[NH2+]1 ZINC000884437834 591934263 /nfs/dbraw/zinc/93/42/63/591934263.db2.gz OBBVXIRHISNZEE-DVVUODLYSA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000884444634 591936747 /nfs/dbraw/zinc/93/67/47/591936747.db2.gz QVPSXNAOADHACA-ZJUUUORDSA-N 2 0 229.368 0.802 20 0 BCADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000884445143 591936850 /nfs/dbraw/zinc/93/68/50/591936850.db2.gz GFBUQSYANPIIFD-AXFHLTTASA-N 2 0 241.379 0.863 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884449948 591938128 /nfs/dbraw/zinc/93/81/28/591938128.db2.gz SNGWQEYVYABOGB-RYUDHWBXSA-N 2 0 239.363 0.844 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884458486 591941101 /nfs/dbraw/zinc/94/11/01/591941101.db2.gz GJQZGYQYKUONOU-OUAUKWLOSA-N 2 0 223.320 0.077 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884458485 591941169 /nfs/dbraw/zinc/94/11/69/591941169.db2.gz GJQZGYQYKUONOU-AXFHLTTASA-N 2 0 223.320 0.077 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000884469909 591943908 /nfs/dbraw/zinc/94/39/08/591943908.db2.gz ZOWUPHPSUHGMHP-GUBZILKMSA-N 2 0 225.336 0.086 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000884469911 591944339 /nfs/dbraw/zinc/94/43/39/591944339.db2.gz ZOWUPHPSUHGMHP-OPRDCNLKSA-N 2 0 225.336 0.086 20 0 BCADRP CCc1nccc(NCC[N@@H+]2CC[C@H](O)C2)n1 ZINC000884568914 591983549 /nfs/dbraw/zinc/98/35/49/591983549.db2.gz YFPNFNTUBGWJSB-JTQLQIEISA-N 2 0 236.319 0.518 20 0 BCADRP C([NH2+][C@H]1CCOC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000216291414 592017020 /nfs/dbraw/zinc/01/70/20/592017020.db2.gz PCWHBXFTWOPZJW-MNOVXSKESA-N 2 0 210.321 0.849 20 0 BCADRP C[N@H+](CCO)CCNc1cc[nH+]c2ccccc12 ZINC000884824915 592022925 /nfs/dbraw/zinc/02/29/25/592022925.db2.gz VVGBTSKJLKNRMR-UHFFFAOYSA-N 2 0 245.326 0.993 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C[C@@](C)(O)C(F)F)C1 ZINC000886010837 592129826 /nfs/dbraw/zinc/12/98/26/592129826.db2.gz QMQZENVUQJBGQF-GXSJLCMTSA-N 2 0 236.306 0.886 20 0 BCADRP Cc1n[nH]c(C[NH2+]CCOCC[NH+](C)C)c1C ZINC000886067869 592142915 /nfs/dbraw/zinc/14/29/15/592142915.db2.gz PTYRXKFYZUYZAJ-UHFFFAOYSA-N 2 0 240.351 0.694 20 0 BCADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[NH+](C)C)C1 ZINC000886489615 592235550 /nfs/dbraw/zinc/23/55/50/592235550.db2.gz MXHCVPVALHDTFQ-GHMZBOCLSA-N 2 0 228.336 0.869 20 0 BCADRP C[N@H+](C[C@@H]1C[C@]12CCOC2)C1CC([NH3+])C1 ZINC000886838322 592359036 /nfs/dbraw/zinc/35/90/36/592359036.db2.gz VJEKRDUEJNWNLJ-XKGSQUFQSA-N 2 0 210.321 0.835 20 0 BCADRP [NH3+]C[C@@H]1C[N@H+](C[C@H]2C[C@]23CCOC3)CCCO1 ZINC000886839914 592360341 /nfs/dbraw/zinc/36/03/41/592360341.db2.gz OPCWVGPRIMSHBO-UPJWGTAASA-N 2 0 240.347 0.463 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H]1C[C@@]12CCOC2 ZINC000886840331 592361045 /nfs/dbraw/zinc/36/10/45/592361045.db2.gz ZEXRCWRUUPSTOG-WHOHXGKFSA-N 2 0 210.321 0.835 20 0 BCADRP CCN(CC[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000886848719 592365638 /nfs/dbraw/zinc/36/56/38/592365638.db2.gz LWFATGJFILGCGH-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886871836 592376639 /nfs/dbraw/zinc/37/66/39/592376639.db2.gz CFOYJGXWJVNTMH-CYBMUJFWSA-N 3 0 241.379 0.427 20 0 BCADRP CC1CCN(C(=[NH2+])NCCN(C)CCO)CC1 ZINC000887324108 592481124 /nfs/dbraw/zinc/48/11/24/592481124.db2.gz RLJKJHLQMZAJMS-UHFFFAOYSA-N 2 0 242.367 0.167 20 0 BCADRP C[C@@H](CNC(=[NH2+])NCC1CC1)[NH+]1CCCC1 ZINC000887348292 592484417 /nfs/dbraw/zinc/48/44/17/592484417.db2.gz CDXRCIYNUFYWLJ-JTQLQIEISA-N 2 0 224.352 0.995 20 0 BCADRP C[NH+](C)[C@H](CNC(=[NH2+])NCC1CC1)C1CC1 ZINC000887350969 592485516 /nfs/dbraw/zinc/48/55/16/592485516.db2.gz BITLCSJVKIMOAJ-LLVKDONJSA-N 2 0 224.352 0.851 20 0 BCADRP C[NH+](C)C1(CNC(=[NH2+])NCC(F)F)CCC1 ZINC000887358020 592489197 /nfs/dbraw/zinc/48/91/97/592489197.db2.gz NNSGMSNITCXPKJ-UHFFFAOYSA-N 2 0 234.294 0.850 20 0 BCADRP Cn1cnc(CCC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000925702371 634378221 /nfs/dbraw/zinc/37/82/21/634378221.db2.gz BWGCDQJQPVYGPC-WDEREUQCSA-N 2 0 249.362 0.607 20 0 BCADRP [NH3+]C[C@H](N[C@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000925705881 634388947 /nfs/dbraw/zinc/38/89/47/634388947.db2.gz IWOTYIYSBDRDCH-RYUDHWBXSA-N 2 0 227.352 0.082 20 0 BCADRP C[NH+](C)CCC[NH2+][C@H]1COCC1(C)C ZINC000313024372 634439733 /nfs/dbraw/zinc/43/97/33/634439733.db2.gz FIFZUJWMPFVKEH-JTQLQIEISA-N 2 0 200.326 0.953 20 0 BCADRP C[NH2+]C[C@@H](C)N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925716215 634447158 /nfs/dbraw/zinc/44/71/58/634447158.db2.gz LWKFNTSNXFWSDY-WISYIIOYSA-N 2 0 225.380 0.961 20 0 BCADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CC[NH2+]C1)[NH2+]2 ZINC000925716993 634448613 /nfs/dbraw/zinc/44/86/13/634448613.db2.gz CRECLKWBLYWMIJ-PREPNJAASA-N 2 0 209.337 0.467 20 0 BCADRP CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027215674 634458405 /nfs/dbraw/zinc/45/84/05/634458405.db2.gz KWFTUUICERKPAX-RYUDHWBXSA-N 2 0 239.363 0.396 20 0 BCADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335448391 634471317 /nfs/dbraw/zinc/47/13/17/634471317.db2.gz PHGRNRZCXNBWCF-ZDUSSCGKSA-N 3 0 223.364 0.814 20 0 BCADRP C([C@@H]1CCOC1)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000257711172 634477136 /nfs/dbraw/zinc/47/71/36/634477136.db2.gz SXQKSAUOXSKPMD-RYUDHWBXSA-N 2 0 210.321 0.851 20 0 BCADRP O=C([C@@H]1CCC[NH2+]1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335517210 634481734 /nfs/dbraw/zinc/48/17/34/634481734.db2.gz YLDFENXKTVWMNC-JQWIXIFHSA-N 2 0 223.320 0.093 20 0 BCADRP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335622273 634498927 /nfs/dbraw/zinc/49/89/27/634498927.db2.gz BSSFQTDFBAUICH-AAEUAGOBSA-N 2 0 237.347 0.483 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925726710 634522706 /nfs/dbraw/zinc/52/27/06/634522706.db2.gz KCXLXWKAKQRDRB-XDQOZGBTSA-N 3 0 221.348 0.310 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)NCC1CC[NH2+]CC1 ZINC000120635504 634545910 /nfs/dbraw/zinc/54/59/10/634545910.db2.gz WSUSNCASQGMBCV-NSHDSACASA-N 2 0 225.336 0.244 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH3+])C1 ZINC000236874031 634563531 /nfs/dbraw/zinc/56/35/31/634563531.db2.gz XRLSELDWDUPUBQ-SNVBAGLBSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000125573993 634565128 /nfs/dbraw/zinc/56/51/28/634565128.db2.gz KYDKPLFQBHZYEK-QWRGUYRKSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)([NH3+])CCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925736604 634590110 /nfs/dbraw/zinc/59/01/10/634590110.db2.gz HXIFDBFHQMPPSL-NGDQXYMTSA-N 2 0 223.364 0.700 20 0 BCADRP C[C@H](CS(C)(=O)=O)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925794364 635328607 /nfs/dbraw/zinc/32/86/07/635328607.db2.gz DNUVZDAONSJFEJ-GMTAPVOTSA-N 2 0 248.392 0.255 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH3+])[C@@H](C)C1 ZINC000236846521 635471548 /nfs/dbraw/zinc/47/15/48/635471548.db2.gz ALVRUZXYEHKMES-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CNC(=O)C1 ZINC000925840769 635503591 /nfs/dbraw/zinc/50/35/91/635503591.db2.gz WWTSYYAZTHOBMA-GRYCIOLGSA-N 2 0 239.363 0.620 20 0 BCADRP CC[N@H+](CCC(=O)NC)C[C@@H]1CCC[NH2+]C1 ZINC000233455407 635534080 /nfs/dbraw/zinc/53/40/80/635534080.db2.gz IMAZUICNFLTXBE-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP CCOCCOCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000925875186 635597704 /nfs/dbraw/zinc/59/77/04/635597704.db2.gz QEBAHMTZGPCMBL-NEPJUHHUSA-N 2 0 230.352 0.899 20 0 BCADRP C[C@H]1NCCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880410 635607835 /nfs/dbraw/zinc/60/78/35/635607835.db2.gz RDGZQYNQTABQBK-WYUUTHIRSA-N 2 0 211.353 0.844 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880399 635608928 /nfs/dbraw/zinc/60/89/28/635608928.db2.gz RACLPZADDKQIOC-GRYCIOLGSA-N 3 0 229.368 0.457 20 0 BCADRP Cn1nccc1[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000925888918 635615254 /nfs/dbraw/zinc/61/52/54/635615254.db2.gz HCHGEHSXYVAZRL-HOSYDEDBSA-N 2 0 238.335 0.313 20 0 BCADRP CC[NH+](CC)CCCN(C)C[C@H](C)[NH3+] ZINC000074211283 631228090 /nfs/dbraw/zinc/22/80/90/631228090.db2.gz QJOAKDVHBJMXMH-NSHDSACASA-N 2 0 201.358 0.997 20 0 BCADRP C[NH+](C)CC(C)(C)CNc1cc[nH+]cc1CO ZINC000891440409 631285891 /nfs/dbraw/zinc/28/58/91/631285891.db2.gz LVUQNHWOIOOAEY-UHFFFAOYSA-N 2 0 237.347 0.996 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891451402 631353584 /nfs/dbraw/zinc/35/35/84/631353584.db2.gz MVODVXNQKDCXFR-OUAUKWLOSA-N 2 0 242.367 0.458 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNc1cc[nH+]cc1CO ZINC000891458851 631369681 /nfs/dbraw/zinc/36/96/81/631369681.db2.gz GBMDTTVZWAETBG-LBPRGKRZSA-N 2 0 235.331 0.892 20 0 BCADRP C[C@H](CNC(=O)C[C@@H]([NH3+])C1CC1)[NH+](C)C ZINC000129810751 631469800 /nfs/dbraw/zinc/46/98/00/631469800.db2.gz MCYJLZZKCRLZAU-PSASIEDQSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000308732324 631557877 /nfs/dbraw/zinc/55/78/77/631557877.db2.gz WIYWHRBQTFBKAV-RYUDHWBXSA-N 2 0 212.337 0.785 20 0 BCADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000095015567 631584373 /nfs/dbraw/zinc/58/43/73/631584373.db2.gz CIHCTWFUYOYBGE-FRRDWIJNSA-N 2 0 223.364 0.907 20 0 BCADRP CC[NH+](CC)CCCN1CC[C@@H]1CO ZINC000934015036 631606861 /nfs/dbraw/zinc/60/68/61/631606861.db2.gz QSJKWRKSHZLGCE-LLVKDONJSA-N 2 0 200.326 0.785 20 0 BCADRP C[N@@H+]1CCCC[C@H]1CCN1CC[C@H]1CO ZINC000934028236 631625808 /nfs/dbraw/zinc/62/58/08/631625808.db2.gz YDWUSWKFKHCDDJ-RYUDHWBXSA-N 2 0 212.337 0.927 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@H]1CO ZINC000934028483 631626664 /nfs/dbraw/zinc/62/66/64/631626664.db2.gz YDWUSWKFKHCDDJ-VXGBXAGGSA-N 2 0 212.337 0.927 20 0 BCADRP C[NH2+]CCCNC(=O)N(C)CCCCCC[NH3+] ZINC000891963013 631640089 /nfs/dbraw/zinc/64/00/89/631640089.db2.gz WUYWUNQJRANOCN-UHFFFAOYSA-N 2 0 244.383 0.756 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000891963728 631644185 /nfs/dbraw/zinc/64/41/85/631644185.db2.gz LXIGKANVPWAXBI-UWVGGRQHSA-N 2 0 228.340 0.165 20 0 BCADRP CCOCCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000308794223 631647881 /nfs/dbraw/zinc/64/78/81/631647881.db2.gz BVPNJMQANNZEJO-NWDGAFQWSA-N 2 0 212.337 0.954 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)NCCC[NH2+]C2CC2)C1 ZINC000891967380 631653226 /nfs/dbraw/zinc/65/32/26/631653226.db2.gz AGLXZELHKPVJBM-AOOOYVTPSA-N 2 0 240.351 0.165 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000892088712 631725181 /nfs/dbraw/zinc/72/51/81/631725181.db2.gz MBDLSYIGLVKVPX-VHSXEESVSA-N 2 0 242.367 0.683 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000892088713 631726176 /nfs/dbraw/zinc/72/61/76/631726176.db2.gz MBDLSYIGLVKVPX-ZJUUUORDSA-N 2 0 242.367 0.683 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000892089153 631726290 /nfs/dbraw/zinc/72/62/90/631726290.db2.gz PHRWFOHPVHVYPY-RCWTZXSCSA-N 2 0 240.351 0.387 20 0 BCADRP [NH3+]C/C=C\CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892121501 631735666 /nfs/dbraw/zinc/73/56/66/631735666.db2.gz HFHVRCRLEQGCEN-WQJDUCKJSA-N 2 0 238.335 0.037 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000892171361 631752150 /nfs/dbraw/zinc/75/21/50/631752150.db2.gz XWCSLRWXLQNAQO-DBIOUOCHSA-N 2 0 240.351 0.150 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892199105 631778306 /nfs/dbraw/zinc/77/83/06/631778306.db2.gz JQGNCACLOCFGQM-XWLWVQCSSA-N 2 0 240.351 0.258 20 0 BCADRP CCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])[C@@H]1CC[NH2+]C1 ZINC000892198897 631778337 /nfs/dbraw/zinc/77/83/37/631778337.db2.gz QMSKXHXRPFYQRI-GMTAPVOTSA-N 2 0 242.367 0.506 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CC2)C1 ZINC000051691805 631868897 /nfs/dbraw/zinc/86/88/97/631868897.db2.gz YBOLRTZGLLBQMC-SECBINFHSA-N 2 0 210.325 0.605 20 0 BCADRP C[C@H]1CC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309092667 631881878 /nfs/dbraw/zinc/88/18/78/631881878.db2.gz BSWIKIYXOOGHBO-WDEREUQCSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@@H]1CC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309092664 631882342 /nfs/dbraw/zinc/88/23/42/631882342.db2.gz BSWIKIYXOOGHBO-GHMZBOCLSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)CCCCC[NH3+] ZINC000309110258 631888568 /nfs/dbraw/zinc/88/85/68/631888568.db2.gz JJPZVFULMAWBIN-SECBINFHSA-N 2 0 201.314 0.359 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC)C1)[NH+](C)C ZINC000972353745 631972188 /nfs/dbraw/zinc/97/21/88/631972188.db2.gz HTKLNAIDIIXUAZ-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP CO[C@@H](C)CN(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000309291108 631993859 /nfs/dbraw/zinc/99/38/59/631993859.db2.gz VTVMGQVBHWOWBJ-NWDGAFQWSA-N 2 0 232.368 0.654 20 0 BCADRP C[C@@H]1NCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000309393770 632024069 /nfs/dbraw/zinc/02/40/69/632024069.db2.gz GGNQKVJOUJRLSU-YFKTTZPYSA-N 2 0 211.353 0.796 20 0 BCADRP C[C@H]1C[N@H+](CC(=O)NCC2CC2)CC[C@@H]1C[NH3+] ZINC000122303554 632060118 /nfs/dbraw/zinc/06/01/18/632060118.db2.gz KQKFVCSHRANLGP-CMPLNLGQSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000052062740 632062878 /nfs/dbraw/zinc/06/28/78/632062878.db2.gz LMYZDICXSIUDHN-LLVKDONJSA-N 2 0 239.363 0.811 20 0 BCADRP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023086380 632125793 /nfs/dbraw/zinc/12/57/93/632125793.db2.gz KFNHZXJHDSJNLK-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@H](C[NH3+])C1CC1 ZINC000309553575 632491208 /nfs/dbraw/zinc/49/12/08/632491208.db2.gz LJIFWJQFUQHVNT-SNVBAGLBSA-N 2 0 213.325 0.359 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H]([NH3+])CCOC ZINC000052810348 632499224 /nfs/dbraw/zinc/49/92/24/632499224.db2.gz VQAXAQVUQMIJMN-LLVKDONJSA-N 2 0 245.367 0.150 20 0 BCADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCOC1 ZINC000235268235 632600114 /nfs/dbraw/zinc/60/01/14/632600114.db2.gz IOIFFCAEVMVMMF-WYUUTHIRSA-N 2 0 212.337 0.857 20 0 BCADRP COCCOCCN(C)C1(C[NH3+])CCOCC1 ZINC000310092693 632701208 /nfs/dbraw/zinc/70/12/08/632701208.db2.gz KARXGKFKWOIKTA-UHFFFAOYSA-N 2 0 246.351 0.089 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000310185107 632706724 /nfs/dbraw/zinc/70/67/24/632706724.db2.gz VSMVJNIGTTXZDW-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CC[C@@H]1[NH3+] ZINC000310319831 632720487 /nfs/dbraw/zinc/72/04/87/632720487.db2.gz YIHLLHNRSCLQBH-AGIUHOORSA-N 2 0 241.379 0.112 20 0 BCADRP COCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000924537927 632776171 /nfs/dbraw/zinc/77/61/71/632776171.db2.gz PPEXVOKQUCXZMB-YHWZYXNKSA-N 2 0 242.363 0.864 20 0 BCADRP CNC(=[NH2+])NCC[NH+](C(C)C)C(C)C ZINC000052019370 632779658 /nfs/dbraw/zinc/77/96/58/632779658.db2.gz MABAOMLKSSEEBL-UHFFFAOYSA-N 2 0 200.330 0.849 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC(C)C ZINC000052041383 632780043 /nfs/dbraw/zinc/78/00/43/632780043.db2.gz ZNMVZNNWAJVVMX-SNVBAGLBSA-N 2 0 212.341 0.993 20 0 BCADRP CC[C@@H](CNC(NC)=[NH+]C)[NH+]1CCCC1 ZINC000066245298 632861864 /nfs/dbraw/zinc/86/18/64/632861864.db2.gz YDBBPUHLERJEBO-JTQLQIEISA-N 2 0 212.341 0.656 20 0 BCADRP Cn1cc(CC[N@@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000236081894 632875849 /nfs/dbraw/zinc/87/58/49/632875849.db2.gz PHTFLZIDSPPHMR-GFCCVEGCSA-N 2 0 222.336 0.633 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC[NH2+]CC1 ZINC000333735181 635865131 /nfs/dbraw/zinc/86/51/31/635865131.db2.gz WUWOQYUOIDOJMP-QWRGUYRKSA-N 2 0 240.351 0.132 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892566104 632979263 /nfs/dbraw/zinc/97/92/63/632979263.db2.gz IYJDTMYJLOWUDU-MGCOHNPYSA-N 2 0 242.367 0.363 20 0 BCADRP C[N@@H+](CC(=O)NC1CC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309370311 632985269 /nfs/dbraw/zinc/98/52/69/632985269.db2.gz FBWQYVUDTQNALT-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000309375584 632991151 /nfs/dbraw/zinc/99/11/51/632991151.db2.gz CNSYHEBXSOTQKM-WPRPVWTQSA-N 2 0 207.277 0.150 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000237145434 635896737 /nfs/dbraw/zinc/89/67/37/635896737.db2.gz OKWAPPYBCAQMSV-KPPDAEKUSA-N 2 0 227.352 0.570 20 0 BCADRP CC(=O)N1CC[NH+](CCCCCC[NH3+])CC1 ZINC000309460517 633093136 /nfs/dbraw/zinc/09/31/36/633093136.db2.gz QRWSRYAAUACDTJ-UHFFFAOYSA-N 2 0 227.352 0.670 20 0 BCADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)[C@H]1CCOC1 ZINC000166332082 633109757 /nfs/dbraw/zinc/10/97/57/633109757.db2.gz HRKBXDJNJBYHKQ-RYUDHWBXSA-N 2 0 241.379 0.424 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC000928429998 635912701 /nfs/dbraw/zinc/91/27/01/635912701.db2.gz FAWKZRDLHGACPA-PWSUYJOCSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@H]1C[N@H+](CC(=O)NC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000122290740 633186283 /nfs/dbraw/zinc/18/62/83/633186283.db2.gz QGXAUDIGTGGZKQ-WDEREUQCSA-N 2 0 241.379 0.818 20 0 BCADRP CC[N@H+](CC(=O)N[C@H]1CC[NH+](C)[C@H]1C)C1CC1 ZINC000928432221 635918099 /nfs/dbraw/zinc/91/80/99/635918099.db2.gz CNWHDPLHVZUMJC-JQWIXIFHSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC[NH+]1C ZINC000928431439 635918124 /nfs/dbraw/zinc/91/81/24/635918124.db2.gz NMDAGWNYOKTJLR-KXNHARMFSA-N 2 0 239.363 0.535 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1ccncc1Cl ZINC000309582675 633206588 /nfs/dbraw/zinc/20/65/88/633206588.db2.gz TWJFHFFXIOOSNB-UHFFFAOYSA-N 2 0 214.700 0.111 20 0 BCADRP C[C@H]1C[N@H+](CCN2CCOCC2)CC[C@@H]1C[NH3+] ZINC000122310954 633208156 /nfs/dbraw/zinc/20/81/56/633208156.db2.gz VICNZOXVPXNTNV-QWHCGFSZSA-N 2 0 241.379 0.235 20 0 BCADRP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)CC[C@@H]1C[NH3+] ZINC000122313190 633215360 /nfs/dbraw/zinc/21/53/60/633215360.db2.gz YBXYSARATSPUSO-VXGBXAGGSA-N 2 0 239.363 0.526 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCCCCCC[NH3+] ZINC000034498998 633733559 /nfs/dbraw/zinc/73/35/59/633733559.db2.gz VLIQUERDMKELIH-SNVBAGLBSA-N 2 0 215.341 0.605 20 0 BCADRP C[C@H](CCO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328544166 633773286 /nfs/dbraw/zinc/77/32/86/633773286.db2.gz LGWMTSFJKJTVHC-ZNSALQAWSA-N 2 0 210.321 0.343 20 0 BCADRP CC[NH+](CC)CCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328486743 633773299 /nfs/dbraw/zinc/77/32/99/633773299.db2.gz MHOMYYGGHDTECT-QSLWVIQJSA-N 2 0 237.391 0.914 20 0 BCADRP OCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328543360 633774661 /nfs/dbraw/zinc/77/46/61/633774661.db2.gz KHQOXZXNBSRDOI-RNWYCLNJSA-N 2 0 210.321 0.345 20 0 BCADRP C[C@H](CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[NH+](C)C ZINC000328559631 633775389 /nfs/dbraw/zinc/77/53/89/633775389.db2.gz DWNWWJPJGHSCJJ-KQAFNVIJSA-N 2 0 223.364 0.523 20 0 BCADRP OCC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000328570034 633779010 /nfs/dbraw/zinc/77/90/10/633779010.db2.gz RBEXNPYBLMAIIG-KKJSVHSVSA-N 2 0 222.332 0.345 20 0 BCADRP COCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328569564 633779209 /nfs/dbraw/zinc/77/92/09/633779209.db2.gz QORCIXMSQBLQJN-NGDQXYMTSA-N 2 0 210.321 0.609 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001019775064 633792025 /nfs/dbraw/zinc/79/20/25/633792025.db2.gz VEEIELLVVKGGJM-NSHDSACASA-N 2 0 225.336 0.293 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925511429 633852413 /nfs/dbraw/zinc/85/24/13/633852413.db2.gz MVBUKNHEQSQUCY-MXWKQRLJSA-N 2 0 235.335 0.526 20 0 BCADRP CCc1nncn1CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925513255 633855044 /nfs/dbraw/zinc/85/50/44/633855044.db2.gz GLEXMGZZEZVXMJ-QWRGUYRKSA-N 2 0 249.362 0.700 20 0 BCADRP C[NH+](C)C1(CN[C@H]2C[NH2+]CCOC2)CCCC1 ZINC000925518081 633874846 /nfs/dbraw/zinc/87/48/46/633874846.db2.gz ICRGQOVQBLCFLM-LBPRGKRZSA-N 2 0 241.379 0.439 20 0 BCADRP C[C@H](C[NH2+]C1CCN(C=O)CC1)C[NH+](C)C ZINC000309387635 633906455 /nfs/dbraw/zinc/90/64/55/633906455.db2.gz SWOLNUWBASNMQZ-LLVKDONJSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@H]([NH3+])C1CCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC000309418936 633916489 /nfs/dbraw/zinc/91/64/89/633916489.db2.gz JSAARLMMWFNUFT-JQWIXIFHSA-N 2 0 211.353 0.798 20 0 BCADRP CC(C)C[C@H](CN[C@H]1C[NH2+]CCOC1)[NH+](C)C ZINC000925535825 633933581 /nfs/dbraw/zinc/93/35/81/633933581.db2.gz LMJWEFVCOAWTOB-QWHCGFSZSA-N 2 0 243.395 0.541 20 0 BCADRP C[N@H+](C[C@H]1CC[NH2+]C1)C1CCC([NH3+])CC1 ZINC000309515589 633942388 /nfs/dbraw/zinc/94/23/88/633942388.db2.gz YPUVFKNHZAUOJM-UNXYVOJBSA-N 3 0 211.353 0.798 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000895470415 636148318 /nfs/dbraw/zinc/14/83/18/636148318.db2.gz XMNYGLHBQKHLBX-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925613231 634153398 /nfs/dbraw/zinc/15/33/98/634153398.db2.gz BHCYVBVHHINFTB-AEJSXWLSSA-N 2 0 200.326 0.863 20 0 BCADRP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000310238076 634098345 /nfs/dbraw/zinc/09/83/45/634098345.db2.gz INAFSPVLFWBNBU-WYUUTHIRSA-N 2 0 239.363 0.700 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000925603240 634130881 /nfs/dbraw/zinc/13/08/81/634130881.db2.gz KFLUBVFXTYMTFL-ILDUYXDCSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925613234 634154763 /nfs/dbraw/zinc/15/47/63/634154763.db2.gz BHCYVBVHHINFTB-IVZWLZJFSA-N 2 0 200.326 0.863 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925667818 634244655 /nfs/dbraw/zinc/24/46/55/634244655.db2.gz SLAORFCXEIABHR-AXFHLTTASA-N 2 0 230.352 0.489 20 0 BCADRP C[C@]1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CCC(=O)N1 ZINC000925685452 634299559 /nfs/dbraw/zinc/29/95/59/634299559.db2.gz NKCVFBUGDZPUEO-HOSYDEDBSA-N 2 0 237.347 0.515 20 0 BCADRP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC[NH2+]CC1 ZINC000925687714 634303247 /nfs/dbraw/zinc/30/32/47/634303247.db2.gz AFJQWHZAEOBSSB-MEBFFEOJSA-N 3 0 235.375 0.572 20 0 BCADRP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925689283 634306867 /nfs/dbraw/zinc/30/68/67/634306867.db2.gz FPMCCSUTRAJVRV-YOOCBKBXSA-N 2 0 236.359 0.733 20 0 BCADRP CC[NH2+]CCCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925689180 634306887 /nfs/dbraw/zinc/30/68/87/634306887.db2.gz HEFFIKNHZDMVES-WDEREUQCSA-N 2 0 211.353 0.846 20 0 BCADRP CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001026734589 634313030 /nfs/dbraw/zinc/31/30/30/634313030.db2.gz PYHLVKBDACWBHE-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]([NH3+])[C@H](NC1C[NH2+]C1)c1ccccc1 ZINC000925690502 634314125 /nfs/dbraw/zinc/31/41/25/634314125.db2.gz GPVIGSLOTPOGIK-CABZTGNLSA-N 2 0 205.305 0.636 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925693064 634325207 /nfs/dbraw/zinc/32/52/07/634325207.db2.gz NYZULJNCAWEFSW-YDQFZURESA-N 2 0 235.375 0.700 20 0 BCADRP C[C@@H]1NCCC[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000925694757 634337180 /nfs/dbraw/zinc/33/71/80/634337180.db2.gz SPNWVOOVSGOZMH-SRVKXCTJSA-N 2 0 211.353 0.716 20 0 BCADRP CC(C)C[C@H](C[NH3+])N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925694795 634339242 /nfs/dbraw/zinc/33/92/42/634339242.db2.gz TXVRFBVAFJBRMY-BSCCGWMCSA-N 2 0 237.391 0.946 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000925695218 634342298 /nfs/dbraw/zinc/34/22/98/634342298.db2.gz UNXYDMDIEMDZMO-MNOVXSKESA-N 3 0 211.353 0.716 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000925695219 634343099 /nfs/dbraw/zinc/34/30/99/634343099.db2.gz UNXYDMDIEMDZMO-QWRGUYRKSA-N 3 0 211.353 0.716 20 0 BCADRP C[NH2+]CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925695234 634346508 /nfs/dbraw/zinc/34/65/08/634346508.db2.gz UUGRQWUMPPOGQG-CHWSQXEVSA-N 2 0 225.380 0.964 20 0 BCADRP CC(C)[C@H]([NH3+])CN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925695713 634347376 /nfs/dbraw/zinc/34/73/76/634347376.db2.gz WCXFKBZKSHWWGR-GMTAPVOTSA-N 2 0 211.353 0.829 20 0 BCADRP C[NH2+]CCCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925695944 634352202 /nfs/dbraw/zinc/35/22/02/634352202.db2.gz YVSJNPCNWGQQCO-RNWYCLNJSA-N 2 0 209.337 0.182 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000925696227 634352501 /nfs/dbraw/zinc/35/25/01/634352501.db2.gz YIJVVUVJCQAZHR-SRVKXCTJSA-N 2 0 211.353 0.859 20 0 BCADRP CCO[C@@H]1COC[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925695496 634352739 /nfs/dbraw/zinc/35/27/39/634352739.db2.gz XIAIHCIYUQBYME-KKOKHZNYSA-N 2 0 240.347 0.650 20 0 BCADRP C[C@@H](C[NH3+])CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925697717 634360153 /nfs/dbraw/zinc/36/01/53/634360153.db2.gz HPBUGWNYIHXEPP-WDEREUQCSA-N 2 0 211.353 0.846 20 0 BCADRP CC1(C)[C@@H](NCC2C[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925699049 634366450 /nfs/dbraw/zinc/36/64/50/634366450.db2.gz MPXOWNFMHQBTCR-WOPDTQHZSA-N 2 0 223.364 0.572 20 0 BCADRP COCC[NH2+]CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925699972 634369194 /nfs/dbraw/zinc/36/91/94/634369194.db2.gz QSKOUAYNAPRRRU-GFCCVEGCSA-N 2 0 241.379 0.487 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CC[NH2+]C1(C)C ZINC000925700045 634369282 /nfs/dbraw/zinc/36/92/82/634369282.db2.gz MYPSSSPGMLUOGZ-AXFHLTTASA-N 2 0 211.353 0.857 20 0 BCADRP CC[NH2+]CC(=O)NCC[N@H+](C)C(C)C ZINC000054133474 634373409 /nfs/dbraw/zinc/37/34/09/634373409.db2.gz QBQRBNIGCQIPCE-UHFFFAOYSA-N 2 0 201.314 0.052 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000857102795 634373487 /nfs/dbraw/zinc/37/34/87/634373487.db2.gz NKJKTMBQHJTQEU-GARJFASQSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)[C@H](C)C[NH2+]1 ZINC000310139585 635201767 /nfs/dbraw/zinc/20/17/67/635201767.db2.gz JUYKVZCFQSCQNA-JHJVBQTASA-N 2 0 241.379 0.125 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC000925777110 635258216 /nfs/dbraw/zinc/25/82/16/635258216.db2.gz LFBKPVOCLJQMRP-WDEREUQCSA-N 2 0 240.351 0.119 20 0 BCADRP C[C@@H](CS(C)(=O)=O)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925794365 635326817 /nfs/dbraw/zinc/32/68/17/635326817.db2.gz DNUVZDAONSJFEJ-OUAUKWLOSA-N 2 0 248.392 0.255 20 0 BCADRP CC(C)NC(=O)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000054048315 635336370 /nfs/dbraw/zinc/33/63/70/635336370.db2.gz LJQDIZGWEJZGJR-UHFFFAOYSA-N 2 0 241.379 0.833 20 0 BCADRP CO[C@@H](C)[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810875 635366775 /nfs/dbraw/zinc/36/67/75/635366775.db2.gz BUGUHORLQNIJPX-MNOVXSKESA-N 2 0 229.368 0.423 20 0 BCADRP CC[C@@H](CO)[NH2+]CCC[NH2+][C@@H](CC)CO ZINC000006411931 635375613 /nfs/dbraw/zinc/37/56/13/635375613.db2.gz XYVQJSNDVKVJBX-QWRGUYRKSA-N 2 0 218.341 0.098 20 0 BCADRP C[C@H]1OCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816136 635384363 /nfs/dbraw/zinc/38/43/63/635384363.db2.gz VQZMRHLPAPXVQQ-PWSUYJOCSA-N 2 0 227.352 0.177 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]CCN1CCC([NH3+])CC1 ZINC000925818074 635388223 /nfs/dbraw/zinc/38/82/23/635388223.db2.gz YWKXWZHXUXGHIV-LBPRGKRZSA-N 3 0 242.411 0.517 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000250458377 635474757 /nfs/dbraw/zinc/47/47/57/635474757.db2.gz JWHBAOCGQNSJIU-WDEREUQCSA-N 2 0 216.325 0.197 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CNOC2)[C@@H]2CCC[C@@H]21 ZINC000925859215 635553565 /nfs/dbraw/zinc/55/35/65/635553565.db2.gz GGQOSDDEPYNHRY-RHYQMDGZSA-N 2 0 225.336 0.352 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335638287 635886647 /nfs/dbraw/zinc/88/66/47/635886647.db2.gz HMXKXRTULRHWGQ-GWCFXTLKSA-N 2 0 237.347 0.481 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000928442529 635945421 /nfs/dbraw/zinc/94/54/21/635945421.db2.gz BBJYCNHTGKXRDM-QWRGUYRKSA-N 2 0 227.352 0.535 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)C12CC[NH+](CC1)C2 ZINC000909558068 636247006 /nfs/dbraw/zinc/24/70/06/636247006.db2.gz BTNQJJHDVKBFAC-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870934093 636385337 /nfs/dbraw/zinc/38/53/37/636385337.db2.gz FHWJZQYDAVWLMD-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000925288100 636730983 /nfs/dbraw/zinc/73/09/83/636730983.db2.gz INDUXCFNSDKQLF-UKIXVXPJSA-N 2 0 236.359 0.853 20 0 BCADRP CC[NH2+]CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322379085 636861898 /nfs/dbraw/zinc/86/18/98/636861898.db2.gz GOWCUTSHXXAQQO-FGWVZKOKSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]1[C@H](NC(=O)N(C)CC[NH+](C)C)CC[N@@H+]1C ZINC000925324240 636868285 /nfs/dbraw/zinc/86/82/85/636868285.db2.gz BNZLDTPEBXFYCQ-GHMZBOCLSA-N 2 0 242.367 0.282 20 0 BCADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CCN(OC)CC2)C1 ZINC000323046337 636893052 /nfs/dbraw/zinc/89/30/52/636893052.db2.gz DZFIOWQGVVJJOF-GFCCVEGCSA-N 2 0 241.379 0.944 20 0 BCADRP CON1CCC([NH2+][C@@H](C)CC[NH+](C)C)CC1 ZINC000323081656 636896757 /nfs/dbraw/zinc/89/67/57/636896757.db2.gz UIVFHXBBTBRRKA-NSHDSACASA-N 2 0 229.368 0.942 20 0 BCADRP CN1C[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1=O ZINC000902362830 637299742 /nfs/dbraw/zinc/29/97/42/637299742.db2.gz WEFVISONIMSAEW-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCON)[C@@H](C)C1 ZINC000902419719 637302656 /nfs/dbraw/zinc/30/26/56/637302656.db2.gz JSCIXWHMNKCZPG-WDEREUQCSA-N 2 0 215.341 0.587 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@@H]1COCCO1 ZINC000903463463 637364914 /nfs/dbraw/zinc/36/49/14/637364914.db2.gz BTKQMIJBSZKJDB-GRYCIOLGSA-N 2 0 228.336 0.189 20 0 BCADRP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](CCC[NH3+])C[C@@H]21 ZINC000903564533 637370048 /nfs/dbraw/zinc/37/00/48/637370048.db2.gz YVIMTHWHNKVTTG-OUAUKWLOSA-N 2 0 226.320 0.466 20 0 BCADRP CC1(C)C[N@H+](CC2CC[NH2+]CC2)C[C@H]1N ZINC000903551227 637370119 /nfs/dbraw/zinc/37/01/19/637370119.db2.gz AGWCNHMPZYPDTB-LLVKDONJSA-N 2 0 211.353 0.655 20 0 BCADRP COCCC[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903726199 637380530 /nfs/dbraw/zinc/38/05/30/637380530.db2.gz KMPFCEJQRFIUOK-CHWSQXEVSA-N 2 0 242.363 0.723 20 0 BCADRP C[C@H]1C[N@H+](Cc2cn(C)nn2)CC[C@H]1C[NH3+] ZINC000903788269 637382169 /nfs/dbraw/zinc/38/21/69/637382169.db2.gz HIKVHDMTZOSVSU-UWVGGRQHSA-N 2 0 223.324 0.232 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C[C@H]1CCC[NH2+]1)C2 ZINC000903841657 637385034 /nfs/dbraw/zinc/38/50/34/637385034.db2.gz ZAJYSCOANQLJRA-YFKTTZPYSA-N 2 0 209.337 0.550 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C[C@H]1CCC[NH2+]1)C2 ZINC000903841656 637385231 /nfs/dbraw/zinc/38/52/31/637385231.db2.gz ZAJYSCOANQLJRA-QCNOEVLYSA-N 2 0 209.337 0.550 20 0 BCADRP [NH3+]CCCCCC[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000903841378 637385260 /nfs/dbraw/zinc/38/52/60/637385260.db2.gz XBNWBKSPVAEGMG-WDEREUQCSA-N 2 0 218.316 0.910 20 0 BCADRP CC(C)([NH3+])CN[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000904462633 637406955 /nfs/dbraw/zinc/40/69/55/637406955.db2.gz XXNSRCMGNFUMLP-VXGBXAGGSA-N 2 0 219.332 0.938 20 0 BCADRP C[C@@H]1C[NH2+]C[C@@H](N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000904461850 637406782 /nfs/dbraw/zinc/40/67/82/637406782.db2.gz OZGAHMACFAMWDC-DCAQKATOSA-N 2 0 211.353 0.572 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000904462297 637407080 /nfs/dbraw/zinc/40/70/80/637407080.db2.gz UFMFGPPWLCCEQD-AAEUAGOBSA-N 2 0 225.380 0.964 20 0 BCADRP [NH3+]Cc1ccc(CNCC2([NH3+])CC2)cc1 ZINC000904444797 637414000 /nfs/dbraw/zinc/41/40/00/637414000.db2.gz RBXLYNZCIXLZLO-UHFFFAOYSA-N 2 0 205.305 0.726 20 0 BCADRP [NH3+]C1(CNCc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000904445463 637414062 /nfs/dbraw/zinc/41/40/62/637414062.db2.gz VNJKUZIOFTVMNM-UHFFFAOYSA-N 2 0 231.343 0.913 20 0 BCADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCCON ZINC000904457411 637419645 /nfs/dbraw/zinc/41/96/45/637419645.db2.gz NLPTVZIMAKZMPA-ZJUUUORDSA-N 2 0 201.314 0.387 20 0 BCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC[C@]12C[C@H]1C[NH2+]C2 ZINC000904459052 637421046 /nfs/dbraw/zinc/42/10/46/637421046.db2.gz NFCOZJBDWYLVKI-ZGKBOVNRSA-N 2 0 243.354 0.810 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1NC[C@@]1(C)CC[NH2+]C1 ZINC000904461198 637421128 /nfs/dbraw/zinc/42/11/28/637421128.db2.gz GRVRWKCWQJKWPA-PWSUYJOCSA-N 2 0 211.353 0.574 20 0 BCADRP NC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904469188 637424256 /nfs/dbraw/zinc/42/42/56/637424256.db2.gz JIRGNDZYRPHZHM-KQXIARHKSA-N 2 0 237.347 0.311 20 0 BCADRP [NH3+]CC1CC([NH2+][C@@H]2COC[C@@H]2C2CC2)C1 ZINC000904476762 637425781 /nfs/dbraw/zinc/42/57/81/637425781.db2.gz RBVUABRHXUNGMZ-DPHRUIKTSA-N 2 0 210.321 0.738 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000904916577 637521217 /nfs/dbraw/zinc/52/12/17/637521217.db2.gz JFQUSWYCKCKKDO-NWDGAFQWSA-N 2 0 229.368 0.994 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC1(C)CC[NH2+]CC1 ZINC000904928262 637530480 /nfs/dbraw/zinc/53/04/80/637530480.db2.gz HJYZQNXLELWSLB-LBPRGKRZSA-N 2 0 227.352 0.762 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000904928929 637530829 /nfs/dbraw/zinc/53/08/29/637530829.db2.gz OGRJFLMGMMARJI-AAEUAGOBSA-N 2 0 239.363 0.857 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000904931573 637534206 /nfs/dbraw/zinc/53/42/06/637534206.db2.gz LPBSTFJZJWEFIJ-DMDPSCGWSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[NH2+]Cc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000905059877 637590894 /nfs/dbraw/zinc/59/08/94/637590894.db2.gz XVIFNGIFYDXSGJ-SNVBAGLBSA-N 2 0 223.324 0.528 20 0 BCADRP C1C[NH2+][C@@H](c2noc([C@@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)C1 ZINC000905304893 637762875 /nfs/dbraw/zinc/76/28/75/637762875.db2.gz NPZXKHSGHBIEQJ-UTINFBMNSA-N 2 0 234.303 0.817 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=S)NCC[NH+](C)C ZINC000905547745 637851670 /nfs/dbraw/zinc/85/16/70/637851670.db2.gz IRXTYCLDOTVPBD-SNVBAGLBSA-N 2 0 244.408 0.106 20 0 BCADRP CCC[C@@H](O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000905590916 637857186 /nfs/dbraw/zinc/85/71/86/637857186.db2.gz UEIINWIUNZCQIE-OLZOCXBDSA-N 2 0 244.379 0.584 20 0 BCADRP C[C@H]1[C@@H](NC(=S)NCC[NH+](C)C)CC[N@@H+]1C ZINC000905647632 637881398 /nfs/dbraw/zinc/88/13/98/637881398.db2.gz KPRJWYSWZNZELS-UWVGGRQHSA-N 2 0 244.408 0.105 20 0 BCADRP O[C@H](C[NH2+]CC[C@H](O)C1CC1)C[NH+]1CCCC1 ZINC000905691794 637883556 /nfs/dbraw/zinc/88/35/56/637883556.db2.gz ODDSQNDYJJRMEM-OLZOCXBDSA-N 2 0 242.363 0.194 20 0 BCADRP O[C@@H](C[NH2+]CC[C@H](O)C1CC1)C[NH+]1CCCC1 ZINC000905691797 637883987 /nfs/dbraw/zinc/88/39/87/637883987.db2.gz ODDSQNDYJJRMEM-STQMWFEESA-N 2 0 242.363 0.194 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@](C)(O)C(F)F)C1 ZINC000905963665 637984770 /nfs/dbraw/zinc/98/47/70/637984770.db2.gz ODOZLPDGYMFQFM-WCABBAIRSA-N 2 0 236.306 0.932 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000906092018 638048605 /nfs/dbraw/zinc/04/86/05/638048605.db2.gz SCVXTOXHTFCQNP-GARJFASQSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000906092204 638050065 /nfs/dbraw/zinc/05/00/65/638050065.db2.gz UYIOECQVOJPVTM-GRYCIOLGSA-N 2 0 241.379 0.864 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000906092267 638051626 /nfs/dbraw/zinc/05/16/26/638051626.db2.gz XPHQHITVLCMUMU-QJPTWQEYSA-N 2 0 241.379 0.803 20 0 BCADRP CNC(=O)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1 ZINC000906507808 638179057 /nfs/dbraw/zinc/17/90/57/638179057.db2.gz CUFCLZGRKPABPD-HAQNSBGRSA-N 2 0 233.315 0.626 20 0 BCADRP NC(=O)COc1ccc(C[NH2+]C2CC([NH3+])C2)cc1 ZINC000906510718 638183375 /nfs/dbraw/zinc/18/33/75/638183375.db2.gz SBIZNCJUMCCNHP-UHFFFAOYSA-N 2 0 249.314 0.130 20 0 BCADRP [NH3+]C1CC([NH2+]Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000906510926 638183791 /nfs/dbraw/zinc/18/37/91/638183791.db2.gz NYSCIABQKLHRHG-UHFFFAOYSA-N 3 0 237.372 0.973 20 0 BCADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000906518870 638187127 /nfs/dbraw/zinc/18/71/27/638187127.db2.gz SWXSBPZDZIFQPV-HDJSIYSDSA-N 3 0 231.343 0.912 20 0 BCADRP [NH3+][C@H]1C[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000906517314 638187988 /nfs/dbraw/zinc/18/79/88/638187988.db2.gz MJRINECRKDOGCE-AULYBMBSSA-N 2 0 223.364 0.940 20 0 BCADRP C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H](C)[N@H+]1C ZINC000908435915 638713014 /nfs/dbraw/zinc/71/30/14/638713014.db2.gz LKQACBYFISFMIZ-AOOOYVTPSA-N 2 0 236.319 0.503 20 0 BCADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000909145688 639160756 /nfs/dbraw/zinc/16/07/56/639160756.db2.gz IFWINLONECHKCQ-GDNZZTSVSA-N 2 0 249.358 0.101 20 0 BCADRP CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000910472393 639464926 /nfs/dbraw/zinc/46/49/26/639464926.db2.gz KWTQUBHDTRHNGD-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000910930116 639534605 /nfs/dbraw/zinc/53/46/05/639534605.db2.gz GZNPKXJGKSNYAH-UHFFFAOYSA-N 2 0 237.347 0.293 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCN2C)CC1 ZINC000712614185 711473560 /nfs/dbraw/zinc/47/35/60/711473560.db2.gz PSWKKSBGEGMUPF-LBPRGKRZSA-N 2 0 211.353 0.764 20 0 BCADRP CC(C)(C[NH3+])CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911621758 639682480 /nfs/dbraw/zinc/68/24/80/639682480.db2.gz APMPVDJYVXVYHL-SECBINFHSA-N 2 0 213.325 0.311 20 0 BCADRP [NH3+]C1CCN(C(=O)C23CCC(CC2)[NH2+]3)CC1 ZINC000911619521 639682573 /nfs/dbraw/zinc/68/25/73/639682573.db2.gz KLDXFUSSQAVTDB-UHFFFAOYSA-N 2 0 223.320 0.221 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911623988 639684802 /nfs/dbraw/zinc/68/48/02/639684802.db2.gz PDWQKOSTXFUQJV-HBNTYKKESA-N 2 0 227.352 0.700 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911623985 639685150 /nfs/dbraw/zinc/68/51/50/639685150.db2.gz PDWQKOSTXFUQJV-AXFHLTTASA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)NC1CC[NH2+]CC1 ZINC000911628270 639687358 /nfs/dbraw/zinc/68/73/58/639687358.db2.gz LIBWIBDUYJZTLL-JTQLQIEISA-N 2 0 227.352 0.618 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)NC1CC[NH2+]CC1 ZINC000911628581 639687524 /nfs/dbraw/zinc/68/75/24/639687524.db2.gz PUKRFHQQERUABG-VIFPVBQESA-N 2 0 245.392 0.325 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000911660653 639693400 /nfs/dbraw/zinc/69/34/00/639693400.db2.gz MJGCCNLYESRBCC-ZJUUUORDSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@H](O)[C@@H](O)CN(C)CCC[NH+]1CCCC1 ZINC000930310824 639696127 /nfs/dbraw/zinc/69/61/27/639696127.db2.gz PWRLKTDREJZLNV-RYUDHWBXSA-N 2 0 230.352 0.146 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC000911670654 639696773 /nfs/dbraw/zinc/69/67/73/639696773.db2.gz OZIZKMKUOYMNNE-GRYCIOLGSA-N 2 0 237.347 0.039 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)C12CCC(CC1)[NH2+]2 ZINC000911672167 639699618 /nfs/dbraw/zinc/69/96/18/639699618.db2.gz AZJBNMMQPLGYDR-SQLBVSGCSA-N 2 0 223.320 0.139 20 0 BCADRP [NH3+]Cc1cccc(NC(=O)[C@H]2C[C@H]2C[NH3+])c1 ZINC000911647528 639701482 /nfs/dbraw/zinc/70/14/82/639701482.db2.gz ABQFUIVNMMLYGT-ONGXEEELSA-N 2 0 219.288 0.679 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C[C@H]([NH3+])CC(C)C)C1 ZINC000911654819 639709309 /nfs/dbraw/zinc/70/93/09/639709309.db2.gz CSWKXTRCLNDOMF-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000911654831 639709787 /nfs/dbraw/zinc/70/97/87/639709787.db2.gz DFKFLDQQWPFLFW-NEPJUHHUSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H]1C[C@H](C(=O)N[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000911674858 639713990 /nfs/dbraw/zinc/71/39/90/639713990.db2.gz YBLKPSZASSIGAP-MXWKQRLJSA-N 2 0 225.336 0.243 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000911674837 639715328 /nfs/dbraw/zinc/71/53/28/639715328.db2.gz XLIDUXYGRVKCSS-VHSXEESVSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C[C@@H]([NH3+])C(C)(C)C)C1 ZINC000911657747 639715469 /nfs/dbraw/zinc/71/54/69/639715469.db2.gz YWNRTWGSKSAYCT-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH2+]CCCNC(=O)CCCC[NH2+]C ZINC000911685041 639721794 /nfs/dbraw/zinc/72/17/94/639721794.db2.gz LXUPXOHPYWQAQP-UHFFFAOYSA-N 2 0 215.341 0.492 20 0 BCADRP CC[NH2+]CCCNC(=O)CC(C)(C)C[NH3+] ZINC000911689205 639727625 /nfs/dbraw/zinc/72/76/25/639727625.db2.gz ZWBFMFOBZJKKMG-UHFFFAOYSA-N 2 0 215.341 0.477 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC000911699973 639728437 /nfs/dbraw/zinc/72/84/37/639728437.db2.gz ZMDLFSGBKPKJKJ-CMPLNLGQSA-N 2 0 227.352 0.476 20 0 BCADRP [NH3+]Cc1ccccc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000911694720 639731198 /nfs/dbraw/zinc/73/11/98/639731198.db2.gz BNHGQOPZIFJJMA-JTQLQIEISA-N 2 0 219.288 0.237 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911712733 639739592 /nfs/dbraw/zinc/73/95/92/639739592.db2.gz CZMAISHTFBMGQF-GRYCIOLGSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000911718192 639742225 /nfs/dbraw/zinc/74/22/25/639742225.db2.gz IPFNAUWQJMBDCK-LNFKQOIKSA-N 2 0 225.336 0.086 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)CC1CC([NH3+])C1 ZINC000911722472 639744819 /nfs/dbraw/zinc/74/48/19/639744819.db2.gz SVPZGFMNNOKRPO-ILDUYXDCSA-N 2 0 225.336 0.454 20 0 BCADRP C[NH2+]C1CC(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000911721601 639745168 /nfs/dbraw/zinc/74/51/68/639745168.db2.gz WZUDHXPUZNUAET-JYBOHDQNSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000911722417 639746296 /nfs/dbraw/zinc/74/62/96/639746296.db2.gz RTIPJMZZHOETLP-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]CCCCC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000911721302 639746353 /nfs/dbraw/zinc/74/63/53/639746353.db2.gz VSVKUJOYITTWNY-NWDGAFQWSA-N 2 0 241.379 0.880 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911723364 639747423 /nfs/dbraw/zinc/74/74/23/639747423.db2.gz AJCTVICUWIJIJM-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])C(C)(C)C ZINC000911723367 639748220 /nfs/dbraw/zinc/74/82/20/639748220.db2.gz AJCTVICUWIJIJM-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911726450 639754085 /nfs/dbraw/zinc/75/40/85/639754085.db2.gz BMDGFYAOPOYMQP-JEDMMJBGSA-N 2 0 237.347 0.513 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)C1 ZINC000911707138 639760484 /nfs/dbraw/zinc/76/04/84/639760484.db2.gz KRVIYKITEDSJEO-MDZLAQPJSA-N 2 0 237.347 0.183 20 0 BCADRP C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000911707814 639761060 /nfs/dbraw/zinc/76/10/60/639761060.db2.gz QVTRPQGEXNVLJW-IJLUTSLNSA-N 2 0 239.363 0.490 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C23CCC(CC2)[NH2+]3)C1 ZINC000911735403 639762571 /nfs/dbraw/zinc/76/25/71/639762571.db2.gz BBLNATCRGHLQJR-QWKFWESOSA-N 2 0 237.347 0.481 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)CC2CC([NH3+])C2)C1 ZINC000911736072 639762902 /nfs/dbraw/zinc/76/29/02/639762902.db2.gz HFLVVHAMMUMBPA-VQXHTEKXSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CCC[C@@H]([NH2+]C)C2)C1 ZINC000911735844 639763239 /nfs/dbraw/zinc/76/32/39/639763239.db2.gz DPPVPOWDIZYNRQ-HSOILSAZSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000911739259 639765016 /nfs/dbraw/zinc/76/50/16/639765016.db2.gz SBYCVWYCBWDWSL-VXGBXAGGSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911737863 639765248 /nfs/dbraw/zinc/76/52/48/639765248.db2.gz DAUCJXQPOGNTPN-DCAQKATOSA-N 2 0 227.352 0.557 20 0 BCADRP C[NH2+]CCNC(=O)[C@@](C)(C[NH3+])CC(C)C ZINC000911748334 639773459 /nfs/dbraw/zinc/77/34/59/639773459.db2.gz LCONCJXRMKHHCQ-LLVKDONJSA-N 2 0 215.341 0.333 20 0 BCADRP C[NH2+]CCNC(=O)c1ccc2n1CC[NH2+][C@@H]2C ZINC000911747406 639773537 /nfs/dbraw/zinc/77/35/37/639773537.db2.gz GCJPNWCZASEEOA-SECBINFHSA-N 2 0 236.319 0.102 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12 ZINC000911748027 639773882 /nfs/dbraw/zinc/77/38/82/639773882.db2.gz IAXKMAFWLPNVHO-SDDRHHMPSA-N 2 0 239.363 0.490 20 0 BCADRP CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCC[NH2+]C ZINC000911749174 639775167 /nfs/dbraw/zinc/77/51/67/639775167.db2.gz XLTCHRVCIIGXCA-RKDXNWHRSA-N 2 0 201.314 0.086 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]([NH3+])C[C@H](C)CC ZINC000911751034 639776814 /nfs/dbraw/zinc/77/68/14/639776814.db2.gz TUGUJXQOLIUCHR-ZJUUUORDSA-N 2 0 215.341 0.476 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000911753394 639782124 /nfs/dbraw/zinc/78/21/24/639782124.db2.gz AEKZZLOFUFQMOP-GMTAPVOTSA-N 2 0 225.336 0.100 20 0 BCADRP CC[C@@H](CO)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000930502476 639784312 /nfs/dbraw/zinc/78/43/12/639784312.db2.gz JOMOHCQGFKAKAN-ZDUSSCGKSA-N 2 0 245.411 0.573 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911754481 639785023 /nfs/dbraw/zinc/78/50/23/639785023.db2.gz MKYZPSUBMDMPJM-YPMHNXCESA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@H](CO)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000930502375 639785451 /nfs/dbraw/zinc/78/54/51/639785451.db2.gz JOMOHCQGFKAKAN-CYBMUJFWSA-N 2 0 245.411 0.573 20 0 BCADRP [NH3+][C@@H](CNC(=O)C12CC(C1)C[NH2+]2)c1ccccc1 ZINC000911762309 639788347 /nfs/dbraw/zinc/78/83/47/639788347.db2.gz BYJYGLFUGJJDOC-KHJSKFAYSA-N 2 0 245.326 0.555 20 0 BCADRP O=C(NCC[C@H]1CC[NH2+]C1)C1=CCC[NH2+]CC1 ZINC000911766028 639791101 /nfs/dbraw/zinc/79/11/01/639791101.db2.gz DQDTZNBBAJCQNX-LLVKDONJSA-N 2 0 237.347 0.412 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911765551 639792385 /nfs/dbraw/zinc/79/23/85/639792385.db2.gz BTCRJQZGDHMFDV-WDEREUQCSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH+](C)C1(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000911769901 639793153 /nfs/dbraw/zinc/79/31/53/639793153.db2.gz XCBILCSRAKOXMX-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)(C[NH3+])CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911768975 639793479 /nfs/dbraw/zinc/79/34/79/639793479.db2.gz QVPVZODVOYBRCA-SNVBAGLBSA-N 2 0 227.352 0.477 20 0 BCADRP CCCN(C(=O)CC1CC([NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000911767391 639794206 /nfs/dbraw/zinc/79/42/06/639794206.db2.gz LBZZSFKZANREEQ-HTAVTVPLSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]([NH3+])CC(C)C)C1 ZINC000911777870 639797797 /nfs/dbraw/zinc/79/77/97/639797797.db2.gz MEZZRIKTUKKFPG-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]CC1CCN(C(=O)CC(C)(C)C[NH3+])CC1 ZINC000911778806 639797831 /nfs/dbraw/zinc/79/78/31/639797831.db2.gz VHIQAUADCNUJTM-UHFFFAOYSA-N 2 0 241.379 0.819 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)C23CCC(CC2)[NH2+]3)C1 ZINC000911777959 639798631 /nfs/dbraw/zinc/79/86/31/639798631.db2.gz NBTZNQPTJQMMOO-ZBOXLXRLSA-N 2 0 237.347 0.339 20 0 BCADRP C[NH2+]CCCCC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911782777 639800559 /nfs/dbraw/zinc/80/05/59/639800559.db2.gz MZLZXZZPWOUPBU-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)c1ccc2c(n1)C[NH2+]CC2 ZINC000911814223 639802472 /nfs/dbraw/zinc/80/24/72/639802472.db2.gz QJBOQVZKOSXKTE-SECBINFHSA-N 2 0 248.330 0.147 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)CCSCCC[NH3+] ZINC000911814553 639803571 /nfs/dbraw/zinc/80/35/71/639803571.db2.gz TUGPRKZCCUFXFT-VIFPVBQESA-N 2 0 233.381 0.264 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000911786063 639804322 /nfs/dbraw/zinc/80/43/22/639804322.db2.gz CJXVPFRRVYMNOW-NEPJUHHUSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911789874 639807469 /nfs/dbraw/zinc/80/74/69/639807469.db2.gz XROYASQQUFQXPK-YPMHNXCESA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]1CN(C(=O)CC2CC([NH3+])C2)C[C@H](C)[NH2+]1 ZINC000911796614 639818983 /nfs/dbraw/zinc/81/89/83/639818983.db2.gz NTEPUTSYMSDSBL-SAAXCQNUSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1CN(C(=O)C2=CCC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC000911796600 639819131 /nfs/dbraw/zinc/81/91/31/639819131.db2.gz NPSHXORPGLVPTE-GHMZBOCLSA-N 2 0 237.347 0.505 20 0 BCADRP C[C@@H]1CN(C(=O)CC2CC([NH3+])C2)C[C@@H](C)[NH2+]1 ZINC000911796613 639819232 /nfs/dbraw/zinc/81/92/32/639819232.db2.gz NTEPUTSYMSDSBL-NKVNRFPTSA-N 2 0 225.336 0.323 20 0 BCADRP C[NH2+]C1CC(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C1 ZINC000911795710 639819673 /nfs/dbraw/zinc/81/96/73/639819673.db2.gz KQGXXVHIQTVVOT-SAAXCQNUSA-N 2 0 225.336 0.193 20 0 BCADRP C[NH2+]CCCCC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911799463 639820322 /nfs/dbraw/zinc/82/03/22/639820322.db2.gz IFSABWXWXJPATF-LBPRGKRZSA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000911808538 639829217 /nfs/dbraw/zinc/82/92/17/639829217.db2.gz CYGSELHCOPVLOA-DGCLKSJQSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]1C[C@H](C(=O)N2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC000911811457 639832650 /nfs/dbraw/zinc/83/26/50/639832650.db2.gz PTSHAUJFFUAXCL-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1CN(C(=O)C2=CCC[NH2+]CC2)CC[NH2+]1 ZINC000911813230 639836064 /nfs/dbraw/zinc/83/60/64/639836064.db2.gz XRNVMZZDEXWSGU-SNVBAGLBSA-N 2 0 223.320 0.117 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])[C@@H]1C[NH3+] ZINC000911825967 639837664 /nfs/dbraw/zinc/83/76/64/639837664.db2.gz PGDUAVDGAAAHRQ-GWOFURMSSA-N 2 0 225.336 0.167 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CC(C)(C)C[NH3+])C1 ZINC000911826960 639838980 /nfs/dbraw/zinc/83/89/80/639838980.db2.gz VIDQRIVOSGGKLI-MNOVXSKESA-N 2 0 241.379 0.947 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C23CC(C2)C[NH2+]3)C1 ZINC000911827616 639838947 /nfs/dbraw/zinc/83/89/47/639838947.db2.gz XQOVWSUOXKFSHH-JJOYANBFSA-N 2 0 237.347 0.324 20 0 BCADRP C[NH2+]C1(C(=O)NC[C@@H]([NH3+])C(C)C)CCC1 ZINC000911827113 639839035 /nfs/dbraw/zinc/83/90/35/639839035.db2.gz SKDOJHQDAGBRGP-SECBINFHSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+]CCCCC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000911828198 639839083 /nfs/dbraw/zinc/83/90/83/639839083.db2.gz YIDOUIWVQZOVRN-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1CCCN(C(=O)CC2CC([NH3+])C2)[C@@H]1C[NH3+] ZINC000911828230 639839224 /nfs/dbraw/zinc/83/92/24/639839224.db2.gz YUTHYIBFEZFKMF-HBIQZDMRSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000911828092 639839364 /nfs/dbraw/zinc/83/93/64/639839364.db2.gz YYCAJMKIUZZTMG-NWDGAFQWSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000911828093 639839819 /nfs/dbraw/zinc/83/98/19/639839819.db2.gz YYCAJMKIUZZTMG-RYUDHWBXSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C12CCC(CC1)[NH2+]2 ZINC000911829057 639841346 /nfs/dbraw/zinc/84/13/46/639841346.db2.gz GYYYPGNGGZJXFH-SQLBVSGCSA-N 2 0 225.336 0.371 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000911833040 639844079 /nfs/dbraw/zinc/84/40/79/639844079.db2.gz YANFFXRKVBYFML-MXWKQRLJSA-N 2 0 227.352 0.332 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000911833901 639845204 /nfs/dbraw/zinc/84/52/04/639845204.db2.gz LRKABXLYPJMYSC-WDEREUQCSA-N 2 0 227.352 0.603 20 0 BCADRP [NH3+]C[C@H](NC(=O)C1=CCC[NH2+]CC1)C1CC1 ZINC000911835916 639847143 /nfs/dbraw/zinc/84/71/43/639847143.db2.gz WFMPHNRCCAMHMO-NSHDSACASA-N 2 0 223.320 0.150 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000911816563 639848271 /nfs/dbraw/zinc/84/82/71/639848271.db2.gz BVZZNIVBHRMSNA-BJDJZHNGSA-N 2 0 241.379 0.946 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)CC(C)(C)C[NH3+] ZINC000911867219 639852017 /nfs/dbraw/zinc/85/20/17/639852017.db2.gz JAXLQXBBPSYOJU-UHFFFAOYSA-N 2 0 229.368 0.805 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911864554 639852399 /nfs/dbraw/zinc/85/23/99/639852399.db2.gz RHLPCUPUOSLJDF-WISYIIOYSA-N 2 0 237.347 0.052 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)CC1CC([NH3+])C1 ZINC000911865644 639852418 /nfs/dbraw/zinc/85/24/18/639852418.db2.gz ZYNYSUXLCXCDGV-ILDUYXDCSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]C1(C(=O)N(C)CC[C@H]([NH3+])C(C)C)CCC1 ZINC000911869848 639853453 /nfs/dbraw/zinc/85/34/53/639853453.db2.gz FEPVQPKNLZWTQD-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)N1CC[NH2+]CC1(C)C ZINC000911845807 639854364 /nfs/dbraw/zinc/85/43/64/639854364.db2.gz DJUJQZJZIMJDKD-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)CC1CC([NH3+])C1 ZINC000911845432 639855161 /nfs/dbraw/zinc/85/51/61/639855161.db2.gz KJIGJTMNTIEWKJ-UHFFFAOYSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000911847435 639856039 /nfs/dbraw/zinc/85/60/39/639856039.db2.gz WPLOEAXKKGQRQQ-DTWKUNHWSA-N 2 0 215.341 0.603 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)NCC(C)(C)[NH3+] ZINC000911846708 639856788 /nfs/dbraw/zinc/85/67/88/639856788.db2.gz QLASXYQQAXGBST-SECBINFHSA-N 2 0 215.341 0.603 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C1([NH+](C)C)CC1 ZINC000911878960 639865276 /nfs/dbraw/zinc/86/52/76/639865276.db2.gz IOXQAKRZDLWGGY-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911882214 639866592 /nfs/dbraw/zinc/86/65/92/639866592.db2.gz TVTPJUNYSCSMTE-MDZLAQPJSA-N 2 0 239.363 0.762 20 0 BCADRP COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1[nH]c(C)nc1C ZINC000930850084 639944810 /nfs/dbraw/zinc/94/48/10/639944810.db2.gz SLROYRITXKVMET-WDEREUQCSA-N 2 0 239.319 0.608 20 0 BCADRP C[NH+](C)C[C@@]1(O)CCCN(CCOC2CC2)C1 ZINC000930904973 639979735 /nfs/dbraw/zinc/97/97/35/639979735.db2.gz XKGHYFAQMAIXEA-ZDUSSCGKSA-N 2 0 242.363 0.554 20 0 BCADRP CN(CC1C[NH+](C)C1)C(=O)C12CC[NH+](CC1)C2 ZINC000912453773 640082967 /nfs/dbraw/zinc/08/29/67/640082967.db2.gz ILXXJYQQTVWMQA-UHFFFAOYSA-N 2 0 237.347 0.102 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CN1[C@@H]2CC[C@H]1C[NH+](C)C2 ZINC000931390372 640174326 /nfs/dbraw/zinc/17/43/26/640174326.db2.gz ULCSJTKVSONBHZ-UPJWGTAASA-N 2 0 223.364 0.859 20 0 BCADRP CC(=O)[C@](C)(O)C[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC000931439350 640199693 /nfs/dbraw/zinc/19/96/93/640199693.db2.gz UXQSEQLVBRTCBC-FRRDWIJNSA-N 2 0 240.347 0.210 20 0 BCADRP Cc1nnc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)o1 ZINC000931431056 640199963 /nfs/dbraw/zinc/19/99/63/640199963.db2.gz VOLIIAQGNKZVCK-MNOVXSKESA-N 2 0 236.319 0.762 20 0 BCADRP Cn1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cn1 ZINC000931434257 640203412 /nfs/dbraw/zinc/20/34/12/640203412.db2.gz RQNOEULXQCSYFC-OLZOCXBDSA-N 2 0 234.347 0.804 20 0 BCADRP CN1CC[C@@H]([N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1=O ZINC000931439252 640205294 /nfs/dbraw/zinc/20/52/94/640205294.db2.gz NTRQWWIJRJHETG-QJPTWQEYSA-N 2 0 237.347 0.101 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CN1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439311 640207292 /nfs/dbraw/zinc/20/72/92/640207292.db2.gz UHLGRISQOPQRAM-BFHYXJOUSA-N 2 0 237.391 0.964 20 0 BCADRP Cc1nonc1CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000931439500 640207643 /nfs/dbraw/zinc/20/76/43/640207643.db2.gz XACBGDDUSMSUCF-MNOVXSKESA-N 2 0 236.319 0.762 20 0 BCADRP C[NH+](C)CC1(O)CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000931480667 640233655 /nfs/dbraw/zinc/23/36/55/640233655.db2.gz IVMGDYBATLXWEI-GFCCVEGCSA-N 2 0 242.363 0.146 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@@H]([NH+]2CCC2)C1)[NH+](C)C ZINC000912900866 640233916 /nfs/dbraw/zinc/23/39/16/640233916.db2.gz UFAMPWKYCHLZLE-NEPJUHHUSA-N 2 0 239.363 0.633 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)C2)C1 ZINC000912906510 640234771 /nfs/dbraw/zinc/23/47/71/640234771.db2.gz FXGAVKCGHZUERH-NWDGAFQWSA-N 2 0 237.347 0.245 20 0 BCADRP CCC[C@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931480653 640234689 /nfs/dbraw/zinc/23/46/89/640234689.db2.gz IBJROLZLWSBTMB-LBPRGKRZSA-N 2 0 244.379 0.536 20 0 BCADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912912076 640236268 /nfs/dbraw/zinc/23/62/68/640236268.db2.gz VZEVPXRTEHGQNV-LBPRGKRZSA-N 2 0 237.347 0.389 20 0 BCADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912902720 640245212 /nfs/dbraw/zinc/24/52/12/640245212.db2.gz IQRFBESBJUGXIM-RYUDHWBXSA-N 2 0 237.347 0.387 20 0 BCADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H](O)CO ZINC000931702809 640326930 /nfs/dbraw/zinc/32/69/30/640326930.db2.gz DYDYKTJZSWDPCN-ZDUSSCGKSA-N 2 0 244.379 0.538 20 0 BCADRP CC[NH+]1CCC(C[NH2+]CCS(C)(=O)=O)CC1 ZINC000044518698 640398440 /nfs/dbraw/zinc/39/84/40/640398440.db2.gz CGXYDYYHYISAQL-UHFFFAOYSA-N 2 0 248.392 0.353 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000044651327 640448744 /nfs/dbraw/zinc/44/87/44/640448744.db2.gz ICSAMXZIEJBZGY-NSHDSACASA-N 2 0 229.368 0.688 20 0 BCADRP CC[NH2+]CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044648407 640446205 /nfs/dbraw/zinc/44/62/05/640446205.db2.gz UIKVXZHHEPCHLM-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000044651590 640448089 /nfs/dbraw/zinc/44/80/89/640448089.db2.gz DOMYQWZXSFVONJ-VIFPVBQESA-N 2 0 201.314 0.052 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000044995415 640481092 /nfs/dbraw/zinc/48/10/92/640481092.db2.gz KYYZDIUXVXKRTB-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000572856598 640577261 /nfs/dbraw/zinc/57/72/61/640577261.db2.gz FAYIDMUQTUOODC-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226328424 640748466 /nfs/dbraw/zinc/74/84/66/640748466.db2.gz MTILQJLYMFVXPO-NWDGAFQWSA-N 2 0 230.352 0.445 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000877104090 640754030 /nfs/dbraw/zinc/75/40/30/640754030.db2.gz BGXMIHUZVKKRCM-UMNHJUIQSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC000226539962 640773761 /nfs/dbraw/zinc/77/37/61/640773761.db2.gz VYXREODAAHPIOT-JQWIXIFHSA-N 2 0 222.336 0.632 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000226741984 640790778 /nfs/dbraw/zinc/79/07/78/640790778.db2.gz YHQUIMLXYOIGFS-GMTAPVOTSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000227002623 640807423 /nfs/dbraw/zinc/80/74/23/640807423.db2.gz YRQSZXUHSOLPCC-QJPTWQEYSA-N 2 0 241.379 0.960 20 0 BCADRP COC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000227128227 640817065 /nfs/dbraw/zinc/81/70/65/640817065.db2.gz MFNGLCOSSYTEAE-FGNRJIRKSA-N 2 0 228.336 0.209 20 0 BCADRP C[C@H]1OCC[C@]1(O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000227126778 640817141 /nfs/dbraw/zinc/81/71/41/640817141.db2.gz SEZULNSBGRULJQ-YPMHNXCESA-N 2 0 242.363 0.458 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000227236237 640822316 /nfs/dbraw/zinc/82/23/16/640822316.db2.gz QBDMWNANMWVTSJ-SRVKXCTJSA-N 2 0 239.363 0.762 20 0 BCADRP C[N@H+](CCNC(=O)CCCCC[NH3+])C1CC1 ZINC000059931308 640841368 /nfs/dbraw/zinc/84/13/68/640841368.db2.gz BQOZJOLRBJPVRZ-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP CCOCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000227768587 640847862 /nfs/dbraw/zinc/84/78/62/640847862.db2.gz VSEZSUJPWUXISU-WDEREUQCSA-N 2 0 200.326 0.940 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228547963 640881120 /nfs/dbraw/zinc/88/11/20/640881120.db2.gz MFYGTWGYBQNFQJ-UMSGYPCISA-N 2 0 242.363 0.443 20 0 BCADRP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229258360 640939175 /nfs/dbraw/zinc/93/91/75/640939175.db2.gz UWPDXNRDSQTOHX-QJPTWQEYSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229255316 640939278 /nfs/dbraw/zinc/93/92/78/640939278.db2.gz VYSOBWKLKZBVPD-WDEREUQCSA-N 2 0 227.352 0.572 20 0 BCADRP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000229256753 640940404 /nfs/dbraw/zinc/94/04/04/640940404.db2.gz MHCBBCLUKGKVDM-VXGBXAGGSA-N 2 0 241.379 0.818 20 0 BCADRP CC[N@H+](CCNC(=O)C[C@@H]([NH3+])C1CC1)C1CC1 ZINC000230063691 641011163 /nfs/dbraw/zinc/01/11/63/641011163.db2.gz ULBFWKMTOYRZEM-GFCCVEGCSA-N 2 0 239.363 0.714 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000230063606 641011192 /nfs/dbraw/zinc/01/11/92/641011192.db2.gz YVSJVXKBBOTJBT-GHMZBOCLSA-N 2 0 225.336 0.324 20 0 BCADRP CCNC(=[NH2+])NC[C@H](C)C[NH+]1CCCC1 ZINC000062072511 641019346 /nfs/dbraw/zinc/01/93/46/641019346.db2.gz ZEHMQRJGVWJCNW-JTQLQIEISA-N 2 0 212.341 0.852 20 0 BCADRP CC[NH2+]CC(=O)N(CC)CCC[NH+](C)C ZINC000230711316 641087733 /nfs/dbraw/zinc/08/77/33/641087733.db2.gz ZDXMCSDAKFXKSD-UHFFFAOYSA-N 2 0 215.341 0.396 20 0 BCADRP Cn1nccc1CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000230772649 641092893 /nfs/dbraw/zinc/09/28/93/641092893.db2.gz OXUNMHZFNFEIOW-QWRGUYRKSA-N 2 0 222.336 0.822 20 0 BCADRP Cn1nccc1CC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000230749832 641097216 /nfs/dbraw/zinc/09/72/16/641097216.db2.gz OFLFJCRJRKHODE-NSHDSACASA-N 2 0 222.336 0.633 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973398 641113555 /nfs/dbraw/zinc/11/35/55/641113555.db2.gz FPSSOXBMARVRQN-GHMZBOCLSA-N 2 0 225.336 0.420 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973578 641114243 /nfs/dbraw/zinc/11/42/43/641114243.db2.gz FXYSAFKQYAXBSG-VXGBXAGGSA-N 2 0 239.363 0.811 20 0 BCADRP Cn1nccc1CC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000230900141 641115855 /nfs/dbraw/zinc/11/58/55/641115855.db2.gz JKOKVLCFKYRXGB-LLVKDONJSA-N 2 0 222.336 0.633 20 0 BCADRP C[N@H+](CCC(N)=O)CC1CC[NH+](C)CC1 ZINC000063121486 641135527 /nfs/dbraw/zinc/13/55/27/641135527.db2.gz NJKBREDTOHMRQA-UHFFFAOYSA-N 2 0 213.325 0.135 20 0 BCADRP CC[C@H](O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166242 641140051 /nfs/dbraw/zinc/14/00/51/641140051.db2.gz GVIGWXKFWBHBGW-NSHDSACASA-N 2 0 200.326 0.689 20 0 BCADRP CC[N@H+](CC(=O)NC12CC[NH+](CC1)C2)C1CC1 ZINC000913631333 641428780 /nfs/dbraw/zinc/42/87/80/641428780.db2.gz QBQFDIVECSHPMH-UHFFFAOYSA-N 2 0 237.347 0.435 20 0 BCADRP CC[C@@H](C(=O)NC12CC[NH+](CC1)C2)[NH+](C)C ZINC000913630925 641433605 /nfs/dbraw/zinc/43/36/05/641433605.db2.gz GKXNGSPCCPTRQH-JTQLQIEISA-N 2 0 225.336 0.291 20 0 BCADRP C[NH+](C)CCOCC[NH2+][C@H]1COCC1(C)C ZINC000313020446 641527382 /nfs/dbraw/zinc/52/73/82/641527382.db2.gz BBGRQQUSEVCWHT-NSHDSACASA-N 2 0 230.352 0.579 20 0 BCADRP C[NH+]1CCC(C(=O)NCC[NH+]2CCC2)CC1 ZINC000443971524 641532638 /nfs/dbraw/zinc/53/26/38/641532638.db2.gz KPWJAZZUZADEPK-UHFFFAOYSA-N 2 0 225.336 0.150 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)CCCCC[NH3+] ZINC000040807160 641536083 /nfs/dbraw/zinc/53/60/83/641536083.db2.gz SVIPNBMKGUYFGE-UHFFFAOYSA-N 2 0 229.368 0.962 20 0 BCADRP C[C@H]([NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000040768180 641536114 /nfs/dbraw/zinc/53/61/14/641536114.db2.gz SDTDAIAUTJLYOM-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP C[NH+](C)C1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000040920922 641539606 /nfs/dbraw/zinc/53/96/06/641539606.db2.gz UBTISRRXNRJJQW-UHFFFAOYSA-N 2 0 213.325 0.276 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)[C@H](C)O)C1 ZINC000929782577 641542830 /nfs/dbraw/zinc/54/28/30/641542830.db2.gz XFUZHJKVDAWVAQ-RWMBFGLXSA-N 2 0 244.379 0.392 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000041680225 641545124 /nfs/dbraw/zinc/54/51/24/641545124.db2.gz CDHSBRAEASTFIX-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP CC[NH2+]CC(=O)NCCCC[NH+](C)C ZINC000041679642 641545201 /nfs/dbraw/zinc/54/52/01/641545201.db2.gz INBLSOIJZXRKBL-UHFFFAOYSA-N 2 0 201.314 0.054 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C[NH2+]CC1CC1 ZINC000155497804 641573733 /nfs/dbraw/zinc/57/37/33/641573733.db2.gz GRQRMKTWHWBDKN-LLVKDONJSA-N 2 0 227.352 0.476 20 0 BCADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+]1C ZINC000914391394 641657811 /nfs/dbraw/zinc/65/78/11/641657811.db2.gz IHKBVFVXHJBIDT-GHMZBOCLSA-N 2 0 240.351 0.084 20 0 BCADRP [NH3+]CCCCCC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000154135081 641966731 /nfs/dbraw/zinc/96/67/31/641966731.db2.gz YWGKEZSUCJPHBS-LLVKDONJSA-N 2 0 227.352 0.764 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)CCCCC[NH3+])C1 ZINC000154138976 641969253 /nfs/dbraw/zinc/96/92/53/641969253.db2.gz BTZZHSRHWLNQCR-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)CCCCC[NH3+] ZINC000154148345 641970628 /nfs/dbraw/zinc/97/06/28/641970628.db2.gz PYHDCSOSELCSGZ-VIFPVBQESA-N 2 0 201.314 0.311 20 0 BCADRP CCCCOC(=O)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000916739624 641973700 /nfs/dbraw/zinc/97/37/00/641973700.db2.gz CNDUWMPTMIOVEL-RYUDHWBXSA-N 2 0 240.347 0.871 20 0 BCADRP CN1C[C@H](CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000723548205 711515987 /nfs/dbraw/zinc/51/59/87/711515987.db2.gz RVMQPMARQXBVQX-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP CN1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000723548247 711516285 /nfs/dbraw/zinc/51/62/85/711516285.db2.gz SJAKMQCNUHHOIU-IJLUTSLNSA-N 2 0 239.363 0.572 20 0 BCADRP CN(C)C(=O)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000154747216 642217233 /nfs/dbraw/zinc/21/72/33/642217233.db2.gz JITVNIXRFKZJNA-UHFFFAOYSA-N 2 0 227.352 0.348 20 0 BCADRP CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971200247 642324224 /nfs/dbraw/zinc/32/42/24/642324224.db2.gz FWUGUXJYAGRZIO-RYUDHWBXSA-N 2 0 239.363 0.633 20 0 BCADRP C[N@H+](CCC[NH3+])C[C@H](O)CC(F)(F)F ZINC000307929574 642347129 /nfs/dbraw/zinc/34/71/29/642347129.db2.gz APVYQGWMYBMFRP-SSDOTTSWSA-N 2 0 214.231 0.580 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307943011 642353838 /nfs/dbraw/zinc/35/38/38/642353838.db2.gz QVVPKYPKTRISSR-JGVFFNPUSA-N 2 0 226.242 0.580 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CC[NH+]1C ZINC000924022921 642370402 /nfs/dbraw/zinc/37/04/02/642370402.db2.gz UXLRZHLRTTXTDJ-GHMZBOCLSA-N 2 0 240.351 0.084 20 0 BCADRP CC(=O)NCC[N@H+](C)CCCCCC[NH3+] ZINC000308129324 642402147 /nfs/dbraw/zinc/40/21/47/642402147.db2.gz CWQCGLYRXQJOEE-UHFFFAOYSA-N 2 0 215.341 0.573 20 0 BCADRP CC[N@H+](CCC(=O)NC)C[C@H]1CCC[NH2+]C1 ZINC000233455467 642670867 /nfs/dbraw/zinc/67/08/67/642670867.db2.gz IMAZUICNFLTXBE-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP C[C@H](CC(=O)NCC(C)(C)[NH3+])[C@H]1CCC[NH2+]C1 ZINC000237604991 642723808 /nfs/dbraw/zinc/72/38/08/642723808.db2.gz ZLJLOFWVGPKSRI-MNOVXSKESA-N 2 0 241.379 0.866 20 0 BCADRP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000962592625 642729995 /nfs/dbraw/zinc/72/99/95/642729995.db2.gz SIZBPOAOSCISSQ-WYUUTHIRSA-N 2 0 237.347 0.004 20 0 BCADRP COC[C@@H](O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000068890897 642807079 /nfs/dbraw/zinc/80/70/79/642807079.db2.gz JQEARNAYRVIYNP-KOLCDFICSA-N 2 0 216.325 0.053 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000068953500 642813805 /nfs/dbraw/zinc/81/38/05/642813805.db2.gz FFEIRZRZWPLYPF-VXGBXAGGSA-N 2 0 230.352 0.315 20 0 BCADRP COC[C@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000069054640 642820387 /nfs/dbraw/zinc/82/03/87/642820387.db2.gz VUJDHCPYSQHRNC-CHWSQXEVSA-N 2 0 242.363 0.458 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000968912645 642821872 /nfs/dbraw/zinc/82/18/72/642821872.db2.gz NOUYZUHILJVCHJ-VXGBXAGGSA-N 2 0 239.363 0.537 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000969099912 642822812 /nfs/dbraw/zinc/82/28/12/642822812.db2.gz VAHRSHYSNQYLNW-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC(C)(C)C[NH+](C)C ZINC000069838765 642922246 /nfs/dbraw/zinc/92/22/46/642922246.db2.gz FFPSYZYLWVWJIG-JTQLQIEISA-N 2 0 229.368 0.818 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016260720 642954578 /nfs/dbraw/zinc/95/45/78/642954578.db2.gz HHAGMSJAYSWZBD-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001019655546 643038353 /nfs/dbraw/zinc/03/83/53/643038353.db2.gz UGUJUXRWJBIXGH-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000969409523 643168220 /nfs/dbraw/zinc/16/82/20/643168220.db2.gz CKHKDTULTUFSEW-CMPLNLGQSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H]1CC[N@H+](CCC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000253251446 643190323 /nfs/dbraw/zinc/19/03/23/643190323.db2.gz WQBHCZYUYOJEBX-WDEREUQCSA-N 2 0 227.352 0.381 20 0 BCADRP C[C@H]1[C@H](NC(=O)NCC[NH+]2CCC2)CC[N@@H+]1C ZINC000925339225 643218151 /nfs/dbraw/zinc/21/81/51/643218151.db2.gz WWVFFOVDUCFBFV-WDEREUQCSA-N 2 0 240.351 0.084 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH+](C2CC2)CC1 ZINC000082560646 643342168 /nfs/dbraw/zinc/34/21/68/643342168.db2.gz WDSHQSTWMAWUOU-NEPJUHHUSA-N 2 0 223.364 0.622 20 0 BCADRP COCC[NH+](CCOC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000082560584 643342961 /nfs/dbraw/zinc/34/29/61/643342961.db2.gz FRPZCVAMKASPGD-NEPJUHHUSA-N 2 0 230.352 0.437 20 0 BCADRP CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970879489 643584351 /nfs/dbraw/zinc/58/43/51/643584351.db2.gz ZCSJNWRVVROHTB-GHMZBOCLSA-N 2 0 239.363 0.395 20 0 BCADRP CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000999832560 643740967 /nfs/dbraw/zinc/74/09/67/643740967.db2.gz TVBDEDWUNNCAAZ-UNXYVOJBSA-N 2 0 239.363 0.537 20 0 BCADRP CC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001000934015 643799810 /nfs/dbraw/zinc/79/98/10/643799810.db2.gz KOTSKCZBOJYQSG-LBPRGKRZSA-N 2 0 239.363 0.683 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000922479687 644002652 /nfs/dbraw/zinc/00/26/52/644002652.db2.gz YKONWWUEUXVCJL-AXFHLTTASA-N 2 0 242.367 0.328 20 0 BCADRP C[N@H+](CCc1cccs1)C[C@H](O)C[NH3+] ZINC000086440846 644137228 /nfs/dbraw/zinc/13/72/28/644137228.db2.gz HZERSJPZXRHMLY-SECBINFHSA-N 2 0 214.334 0.542 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000192541012 644162728 /nfs/dbraw/zinc/16/27/28/644162728.db2.gz JCFDLCKVLUNQAZ-CQSZACIVSA-N 2 0 249.358 0.976 20 0 BCADRP [NH3+]C1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000086701035 644166225 /nfs/dbraw/zinc/16/62/25/644166225.db2.gz CLNRQCUXSXKGCU-UHFFFAOYSA-N 3 0 211.353 0.846 20 0 BCADRP CC[N@H+](CCC(=O)NC)CC1CC[NH2+]CC1 ZINC000086703148 644166257 /nfs/dbraw/zinc/16/62/57/644166257.db2.gz QGOKXDGCFLFRKT-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP C[NH2+]C[C@@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000923288725 644324410 /nfs/dbraw/zinc/32/44/10/644324410.db2.gz BZAYCYNDUHIDIC-NSHDSACASA-N 2 0 211.353 0.670 20 0 BCADRP CSC[C@@H](O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000923284131 644308990 /nfs/dbraw/zinc/30/89/90/644308990.db2.gz HTTKDAGKQVIPHL-ONGXEEELSA-N 2 0 232.393 0.770 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](O)CSC)C1 ZINC000923283739 644309262 /nfs/dbraw/zinc/30/92/62/644309262.db2.gz XVIOHBYCSXKVRS-GHMZBOCLSA-N 2 0 232.393 0.642 20 0 BCADRP CSC[C@@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000923282071 644314658 /nfs/dbraw/zinc/31/46/58/644314658.db2.gz PMZSGZMIUSGUPX-JTQLQIEISA-N 2 0 218.366 0.381 20 0 BCADRP [NH3+]C[C@H]1CCCCN1CCC[NH2+]C1CC1 ZINC000923281322 644316056 /nfs/dbraw/zinc/31/60/56/644316056.db2.gz OWCIDGRTXYRWOI-GFCCVEGCSA-N 2 0 211.353 0.942 20 0 BCADRP C[C@@H]1CN(CCC[NH2+]C2CC2)C[C@@H](C)[NH2+]1 ZINC000923285082 644317644 /nfs/dbraw/zinc/31/76/44/644317644.db2.gz ANDAKZQSCXISIW-GHMZBOCLSA-N 2 0 211.353 0.811 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000923282763 644317972 /nfs/dbraw/zinc/31/79/72/644317972.db2.gz XQMTUKVHIACEIF-NEPJUHHUSA-N 2 0 230.352 0.445 20 0 BCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000923282575 644318804 /nfs/dbraw/zinc/31/88/04/644318804.db2.gz VWEIZYOGXMNXIE-NWDGAFQWSA-N 2 0 230.352 0.301 20 0 BCADRP C[NH2+]C1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923288037 644319892 /nfs/dbraw/zinc/31/98/92/644319892.db2.gz UNTJKTDRYSIEFP-UHFFFAOYSA-N 2 0 211.353 0.812 20 0 BCADRP C[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H](C)O1 ZINC000923299104 644325687 /nfs/dbraw/zinc/32/56/87/644325687.db2.gz IEHRRZGDBZCIGH-TUAOUCFPSA-N 2 0 240.347 0.474 20 0 BCADRP C[C@@H]1C[C@@H](C)C[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923300095 644326198 /nfs/dbraw/zinc/32/61/98/644326198.db2.gz NUAMXVJDVUWBEY-GCHJQGSQSA-N 2 0 212.337 0.815 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H](O)COCC(C)C)C1 ZINC000923290828 644326991 /nfs/dbraw/zinc/32/69/91/644326991.db2.gz OSNAQNWPNWACEH-OLZOCXBDSA-N 2 0 244.379 0.561 20 0 BCADRP CCOCC[C@@H](O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000923300069 644327042 /nfs/dbraw/zinc/32/70/42/644327042.db2.gz NLLVJRZOPJPAIX-NEPJUHHUSA-N 2 0 232.368 0.737 20 0 BCADRP C[N@H+](Cc1ccccc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923299930 644327045 /nfs/dbraw/zinc/32/70/45/644327045.db2.gz JMTLGRNMABBRBV-AVGNSLFASA-N 2 0 220.316 0.969 20 0 BCADRP CCOCC[C@H](O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000923300070 644327198 /nfs/dbraw/zinc/32/71/98/644327198.db2.gz NLLVJRZOPJPAIX-NWDGAFQWSA-N 2 0 232.368 0.737 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000923300241 644327396 /nfs/dbraw/zinc/32/73/96/644327396.db2.gz OZAQVDOFUMIHFJ-IHRRRGAJSA-N 2 0 232.327 0.895 20 0 BCADRP CC(C)COC[C@@H](O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000923295709 644331449 /nfs/dbraw/zinc/33/14/49/644331449.db2.gz FJZAZJQWVWATPR-QWHCGFSZSA-N 2 0 246.395 0.983 20 0 BCADRP CSC[C@H](O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000923295130 644331642 /nfs/dbraw/zinc/33/16/42/644331642.db2.gz UTPWWQHUUKAKDX-SECBINFHSA-N 2 0 220.382 0.627 20 0 BCADRP CCOCC[C@H](O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000923295717 644331908 /nfs/dbraw/zinc/33/19/08/644331908.db2.gz FPPWMLLGSNQLHG-NWDGAFQWSA-N 2 0 230.352 0.491 20 0 BCADRP C[C@@](C[NH3+])([NH2+]CCO[C@@H]1CCOC1)C1CC1 ZINC000923295756 644332089 /nfs/dbraw/zinc/33/20/89/644332089.db2.gz GLCLKUGFNGDBPV-NEPJUHHUSA-N 2 0 228.336 0.509 20 0 BCADRP CC(C)COC[C@H](O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000923295707 644332409 /nfs/dbraw/zinc/33/24/09/644332409.db2.gz FJZAZJQWVWATPR-CHWSQXEVSA-N 2 0 246.395 0.983 20 0 BCADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCO[C@@H]1CCOC1 ZINC000923295989 644333519 /nfs/dbraw/zinc/33/35/19/644333519.db2.gz MJYSKZHKFJLRON-NEPJUHHUSA-N 2 0 230.352 0.755 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCO[C@H]1CCOC1 ZINC000923295990 644333699 /nfs/dbraw/zinc/33/36/99/644333699.db2.gz MJYSKZHKFJLRON-NWDGAFQWSA-N 2 0 230.352 0.755 20 0 BCADRP CC[N@H+](C[C@H]1CCCO1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923308205 644337067 /nfs/dbraw/zinc/33/70/67/644337067.db2.gz GKMLGDLLUNHATO-USZNOCQGSA-N 2 0 228.336 0.338 20 0 BCADRP CC[C@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923301178 644338299 /nfs/dbraw/zinc/33/82/99/644338299.db2.gz PJNWXOGIWTYFAR-RYUDHWBXSA-N 2 0 240.347 0.476 20 0 BCADRP CC[C@@H](C)C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923312126 644340362 /nfs/dbraw/zinc/34/03/62/644340362.db2.gz BVDNKFCRFRKTSL-RCWTZXSCSA-N 2 0 200.326 0.815 20 0 BCADRP CC[C@H](C)C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923312125 644341240 /nfs/dbraw/zinc/34/12/40/644341240.db2.gz BVDNKFCRFRKTSL-NAKRPEOUSA-N 2 0 200.326 0.815 20 0 BCADRP CC[N@H+](CCCO)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923314196 644341510 /nfs/dbraw/zinc/34/15/10/644341510.db2.gz SJFLQDAIUVSUEU-LLVKDONJSA-N 2 0 228.336 0.069 20 0 BCADRP COCC1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923311025 644346321 /nfs/dbraw/zinc/34/63/21/644346321.db2.gz DUXABUQRVNXTID-SRVKXCTJSA-N 2 0 228.336 0.195 20 0 BCADRP C[C@@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923309717 644346343 /nfs/dbraw/zinc/34/63/43/644346343.db2.gz ZIFLLCVQGCGBHJ-MNOVXSKESA-N 2 0 210.321 0.707 20 0 BCADRP CCOCCOCC[NH2+]CC1([NH3+])CCC1 ZINC000923330571 644349864 /nfs/dbraw/zinc/34/98/64/644349864.db2.gz AXCXJFMBGWWZFC-UHFFFAOYSA-N 2 0 216.325 0.511 20 0 BCADRP CN(CCC[NH2+]C1CC1)Cc1cn[nH]c1 ZINC000923324173 644352330 /nfs/dbraw/zinc/35/23/30/644352330.db2.gz CWHODEWXSKTUIU-UHFFFAOYSA-N 2 0 208.309 0.984 20 0 BCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923333192 644354676 /nfs/dbraw/zinc/35/46/76/644354676.db2.gz VLQVLOHXSBSURT-JHJVBQTASA-N 2 0 244.379 0.689 20 0 BCADRP CSC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000923333735 644354687 /nfs/dbraw/zinc/35/46/87/644354687.db2.gz RYBKWALXXIDWSI-IRCOFANPSA-N 2 0 244.404 0.770 20 0 BCADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000923333665 644355447 /nfs/dbraw/zinc/35/54/47/644355447.db2.gz RDVMLUUHVAXUSF-BJDJZHNGSA-N 2 0 228.336 0.053 20 0 BCADRP CCOC[C@H](O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000923336167 644356898 /nfs/dbraw/zinc/35/68/98/644356898.db2.gz QXUKSJMTTMFRKX-CHWSQXEVSA-N 2 0 244.379 0.848 20 0 BCADRP CCOCC[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923331679 644360186 /nfs/dbraw/zinc/36/01/86/644360186.db2.gz MSJMQMUFIRFRBC-OLZOCXBDSA-N 2 0 242.363 0.459 20 0 BCADRP CCOCCOCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000923348901 644363479 /nfs/dbraw/zinc/36/34/79/644363479.db2.gz OABZRWXHFVXUSK-TXEJJXNPSA-N 2 0 228.336 0.191 20 0 BCADRP CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1C[NH2+]C1 ZINC000923357298 644363876 /nfs/dbraw/zinc/36/38/76/644363876.db2.gz WWQLUVXUMWGJBQ-YOGCLGLASA-N 2 0 223.364 0.811 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000923345872 644363996 /nfs/dbraw/zinc/36/39/96/644363996.db2.gz QVMBVYORMHYUJS-AVGNSLFASA-N 2 0 244.379 0.833 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923344313 644365863 /nfs/dbraw/zinc/36/58/63/644365863.db2.gz GPMFOIATDLMNHB-TUAOUCFPSA-N 2 0 239.363 0.047 20 0 BCADRP CC(C)(C)n1cc(CNC(C[NH3+])C[NH3+])cn1 ZINC000923358411 644367153 /nfs/dbraw/zinc/36/71/53/644367153.db2.gz BEDFEXCLQGRQNB-UHFFFAOYSA-N 2 0 225.340 0.014 20 0 BCADRP CCOCC[C@@H](O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923357682 644367638 /nfs/dbraw/zinc/36/76/38/644367638.db2.gz ZWCSCAWZYUGUBM-VXGBXAGGSA-N 2 0 230.352 0.445 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923358497 644368121 /nfs/dbraw/zinc/36/81/21/644368121.db2.gz HSDYPYJKFWXABZ-AXFHLTTASA-N 2 0 230.377 0.394 20 0 BCADRP CO[C@H](CNC(C[NH3+])C[NH3+])c1ccc(F)cc1 ZINC000923358431 644368395 /nfs/dbraw/zinc/36/83/95/644368395.db2.gz BSGAEHILUWDPPX-GFCCVEGCSA-N 2 0 241.310 0.389 20 0 BCADRP C[C@@H](NC(C[NH3+])C[NH3+])c1ccc(F)c(F)c1 ZINC000923352309 644370224 /nfs/dbraw/zinc/37/02/24/644370224.db2.gz ULMQDOLKCWYSJT-SSDOTTSWSA-N 2 0 229.274 0.901 20 0 BCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923354248 644370251 /nfs/dbraw/zinc/37/02/51/644370251.db2.gz BAQUTOMSDNEPBH-CHWSQXEVSA-N 2 0 244.379 0.691 20 0 BCADRP [NH3+]CC(C[NH3+])NCCCc1cccc(F)c1 ZINC000923354235 644370266 /nfs/dbraw/zinc/37/02/66/644370266.db2.gz LPOSYVHSASRFGR-UHFFFAOYSA-N 2 0 225.311 0.634 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923356201 644371828 /nfs/dbraw/zinc/37/18/28/644371828.db2.gz RAPIOXMSRDQLOY-NEPJUHHUSA-N 2 0 244.404 0.786 20 0 BCADRP CC(C)(C)c1csc(CNC(C[NH3+])C[NH3+])n1 ZINC000923354503 644372076 /nfs/dbraw/zinc/37/20/76/644372076.db2.gz QODBHJANUGVIDA-UHFFFAOYSA-N 2 0 242.392 0.816 20 0 BCADRP CC(C)(C)c1nc(CNC(C[NH3+])C[NH3+])co1 ZINC000923355608 644373064 /nfs/dbraw/zinc/37/30/64/644373064.db2.gz BHWZDFGAKGPGNE-UHFFFAOYSA-N 2 0 226.324 0.348 20 0 BCADRP C[C@H](NC(C[NH3+])C[NH3+])c1ncc(C(C)(C)C)o1 ZINC000923354860 644373535 /nfs/dbraw/zinc/37/35/35/644373535.db2.gz WXQRFQRJMPMVMF-QMMMGPOBSA-N 2 0 240.351 0.909 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923366276 644377054 /nfs/dbraw/zinc/37/70/54/644377054.db2.gz JGKUUKKFLZTMAK-QWHCGFSZSA-N 2 0 242.363 0.459 20 0 BCADRP CCOCC[C@@H](O)CN1CC[C@H]([NH3+])[C@@H]1C ZINC000923367865 644377117 /nfs/dbraw/zinc/37/71/17/644377117.db2.gz JWTCLHRWOOBLDA-AXFHLTTASA-N 2 0 216.325 0.195 20 0 BCADRP CC(C)CC[C@@H](O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000923366153 644377573 /nfs/dbraw/zinc/37/75/73/644377573.db2.gz KDPOTGYNXNKENB-MNOVXSKESA-N 2 0 218.341 0.035 20 0 BCADRP CC(C)OC[C@H](O)CN[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000923370708 644380468 /nfs/dbraw/zinc/38/04/68/644380468.db2.gz QJVYUNSTWNMHNA-FDYHWXHSSA-N 2 0 244.379 0.748 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1csc(Cl)n1 ZINC000923359450 644384476 /nfs/dbraw/zinc/38/44/76/644384476.db2.gz PWNLPCJBBVZJRO-UHFFFAOYSA-N 2 0 220.729 0.172 20 0 BCADRP C[C@@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)[C@@H](C)C[NH2+]1 ZINC000923362398 644387294 /nfs/dbraw/zinc/38/72/94/644387294.db2.gz SKFRJEWKSKWAPC-WOPDTQHZSA-N 2 0 239.363 0.047 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000923375674 644389186 /nfs/dbraw/zinc/38/91/86/644389186.db2.gz OYEKNWLFCRZLRS-UPJWGTAASA-N 2 0 244.379 0.691 20 0 BCADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCO)CC1 ZINC000923376419 644391062 /nfs/dbraw/zinc/39/10/62/644391062.db2.gz XJMATSSFTVMOMG-NEPJUHHUSA-N 2 0 228.336 0.197 20 0 BCADRP C[C@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCCO1 ZINC000923376693 644391230 /nfs/dbraw/zinc/39/12/30/644391230.db2.gz DSCXEXVNPNQXNV-SRVKXCTJSA-N 2 0 240.347 0.522 20 0 BCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000923390026 644395485 /nfs/dbraw/zinc/39/54/85/644395485.db2.gz AUUBKIGWFJXBDY-RWMBFGLXSA-N 2 0 244.379 0.832 20 0 BCADRP C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000923390608 644396059 /nfs/dbraw/zinc/39/60/59/644396059.db2.gz BREQJMKPDPLOHN-RVMXOQNASA-N 2 0 242.363 0.728 20 0 BCADRP C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000923390610 644397343 /nfs/dbraw/zinc/39/73/43/644397343.db2.gz BREQJMKPDPLOHN-UMSGYPCISA-N 2 0 242.363 0.728 20 0 BCADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCO)C1 ZINC000923389926 644397376 /nfs/dbraw/zinc/39/73/76/644397376.db2.gz AGBXOXRNBVBGAS-UTUOFQBUSA-N 2 0 228.336 0.340 20 0 BCADRP CCO[C@@H]1CN(CCC[NH2+]C2CC2)C[C@H]1C[NH3+] ZINC000923386952 644399511 /nfs/dbraw/zinc/39/95/11/644399511.db2.gz LUEXWEFVSKQJPJ-DGCLKSJQSA-N 2 0 241.379 0.424 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000923386928 644399807 /nfs/dbraw/zinc/39/98/07/644399807.db2.gz LGERXDQVGLSZSK-GRYCIOLGSA-N 2 0 230.352 0.443 20 0 BCADRP OCC1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923393813 644401601 /nfs/dbraw/zinc/40/16/01/644401601.db2.gz YLJPYSRNIGPXRQ-GFCCVEGCSA-N 2 0 240.347 0.069 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(CCC[NH2+]C1CC1)C2 ZINC000923399313 644404699 /nfs/dbraw/zinc/40/46/99/644404699.db2.gz QBEFVJZHHBBCHY-AAEUAGOBSA-N 2 0 223.364 0.942 20 0 BCADRP C[N@H+](CC1=CCSC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923396902 644405062 /nfs/dbraw/zinc/40/50/62/644405062.db2.gz ILCSQWHRPDAYKT-DCAQKATOSA-N 2 0 228.361 0.442 20 0 BCADRP OCC[NH2+][C@@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000923407316 644408757 /nfs/dbraw/zinc/40/87/57/644408757.db2.gz WEUNUAIIWVEKNO-CHWSQXEVSA-N 2 0 241.379 0.032 20 0 BCADRP OCC[NH2+][C@@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000923407318 644408960 /nfs/dbraw/zinc/40/89/60/644408960.db2.gz WEUNUAIIWVEKNO-QWHCGFSZSA-N 2 0 241.379 0.032 20 0 BCADRP OCC[NH2+][C@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000923408879 644412598 /nfs/dbraw/zinc/41/25/98/644412598.db2.gz IAURYZMHCROZCO-ZDUSSCGKSA-N 2 0 241.379 0.175 20 0 BCADRP CSC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923411542 644414639 /nfs/dbraw/zinc/41/46/39/644414639.db2.gz NADRFEMQCKZVQY-OPRDCNLKSA-N 2 0 218.366 0.237 20 0 BCADRP CSC[C@H](O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000923411541 644415289 /nfs/dbraw/zinc/41/52/89/644415289.db2.gz NADRFEMQCKZVQY-LPEHRKFASA-N 2 0 218.366 0.237 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000923422437 644418670 /nfs/dbraw/zinc/41/86/70/644418670.db2.gz RXEGVNAQDJEDOB-AXFHLTTASA-N 2 0 228.336 0.507 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@H](CF)C2)C1 ZINC000923424864 644418690 /nfs/dbraw/zinc/41/86/90/644418690.db2.gz ULZIIWOSQKEKDW-RCWTZXSCSA-N 2 0 216.300 0.519 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000923422439 644419148 /nfs/dbraw/zinc/41/91/48/644419148.db2.gz RXEGVNAQDJEDOB-HBNTYKKESA-N 2 0 228.336 0.507 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000923424379 644419330 /nfs/dbraw/zinc/41/93/30/644419330.db2.gz WZIXSVSHJLRFBP-NSHDSACASA-N 2 0 244.404 0.928 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(CCC[NH2+]C1CC1)C2 ZINC000923426091 644419695 /nfs/dbraw/zinc/41/96/95/644419695.db2.gz MXOPQGLTFOMYDK-WCQYABFASA-N 2 0 223.364 0.670 20 0 BCADRP CC1(C)CN(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000923432312 644426406 /nfs/dbraw/zinc/42/64/06/644426406.db2.gz KOHRBHXBIQHBGM-GHMZBOCLSA-N 2 0 239.363 0.034 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C[C@H]1C[NH2+]CCO1 ZINC000923436868 644428298 /nfs/dbraw/zinc/42/82/98/644428298.db2.gz SVTPRHPIFIVMRK-NNYUYHANSA-N 2 0 227.352 0.046 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1[C@H](C)C[NH2+][C@@H](C)[C@H]1C ZINC000923435504 644428799 /nfs/dbraw/zinc/42/87/99/644428799.db2.gz IPPFLAHWGVAQTP-LBELIVKGSA-N 2 0 225.380 0.913 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000923436291 644428960 /nfs/dbraw/zinc/42/89/60/644428960.db2.gz OWUUTBHRMWBCNO-SVNGYHJRSA-N 2 0 229.343 0.757 20 0 BCADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C[C@@H]1CC[NH2+]C1 ZINC000923436574 644428965 /nfs/dbraw/zinc/42/89/65/644428965.db2.gz PFEGOJBLLFTOCD-FIQHERPVSA-N 2 0 211.353 0.667 20 0 BCADRP COC[C@@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923447098 644431113 /nfs/dbraw/zinc/43/11/13/644431113.db2.gz PYQUHICIBAQXTC-NEPJUHHUSA-N 2 0 242.363 0.851 20 0 BCADRP COCCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923447657 644431911 /nfs/dbraw/zinc/43/19/11/644431911.db2.gz VPGQLAFTMKAPJT-LBPRGKRZSA-N 2 0 242.363 0.853 20 0 BCADRP C[C@@H](O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923438656 644431982 /nfs/dbraw/zinc/43/19/82/644431982.db2.gz BFLHGRPIBMTXOE-MNOVXSKESA-N 2 0 228.336 0.197 20 0 BCADRP c1cc(CCN2CC[NH2+]CC[NH2+]CC2)sn1 ZINC000923459748 644435652 /nfs/dbraw/zinc/43/56/52/644435652.db2.gz FATCCDBEXQJCPD-UHFFFAOYSA-N 2 0 240.376 0.180 20 0 BCADRP CCc1ncc(CN2CC[NH2+]CC[NH2+]CC2)o1 ZINC000923460438 644437109 /nfs/dbraw/zinc/43/71/09/644437109.db2.gz NXGVBVCCKSBELB-UHFFFAOYSA-N 2 0 238.335 0.232 20 0 BCADRP CC(C)(C)[NH2+]Cc1cn(CCC[NH3+])nn1 ZINC000085273523 644438347 /nfs/dbraw/zinc/43/83/47/644438347.db2.gz DYRFXXHKQLNZLD-UHFFFAOYSA-N 2 0 211.313 0.515 20 0 BCADRP CCC(F)(F)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459483 644440564 /nfs/dbraw/zinc/44/05/64/644440564.db2.gz CJRURSBUIGBPEA-UHFFFAOYSA-N 2 0 221.295 0.527 20 0 BCADRP CC1(C)CO[C@@H](CN2CC[NH2+]CC[NH2+]CC2)C1 ZINC000923461558 644445872 /nfs/dbraw/zinc/44/58/72/644445872.db2.gz ZBKRIIVYELSTKT-GFCCVEGCSA-N 2 0 241.379 0.296 20 0 BCADRP Cc1ncc(CN2CC[NH2+]CC[NH2+]CC2)s1 ZINC000923460869 644446651 /nfs/dbraw/zinc/44/66/51/644446651.db2.gz SPWUKBBBKDCREZ-UHFFFAOYSA-N 2 0 240.376 0.446 20 0 BCADRP C[C@@H](c1ccncc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923463544 644448155 /nfs/dbraw/zinc/44/81/55/644448155.db2.gz ULQNECRQIDUBKT-LBPRGKRZSA-N 2 0 234.347 0.637 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000086066075 644457313 /nfs/dbraw/zinc/45/73/13/644457313.db2.gz FJKFYRLLNCEGDY-SNVBAGLBSA-N 2 0 227.352 0.395 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000923481032 644458352 /nfs/dbraw/zinc/45/83/52/644458352.db2.gz FTHWSVZKXSIZGX-GFCCVEGCSA-N 2 0 239.363 0.573 20 0 BCADRP Cc1nonc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923488123 644463150 /nfs/dbraw/zinc/46/31/50/644463150.db2.gz DNKLXCDUWRYZPQ-WPRPVWTQSA-N 2 0 224.308 0.795 20 0 BCADRP COC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495294 644463659 /nfs/dbraw/zinc/46/36/59/644463659.db2.gz BFZLKIKKTNGQSQ-UTLUCORTSA-N 2 0 214.309 0.465 20 0 BCADRP C[C@@H]1C[N@H+](CCc2cn[nH]c2)CC[C@@H]1C[NH3+] ZINC000923488922 644464452 /nfs/dbraw/zinc/46/44/52/644464452.db2.gz IDZXROSCIRGCQB-ZYHUDNBSSA-N 2 0 222.336 0.869 20 0 BCADRP C[C@H]1C[N@H+](CCc2ccnn2C)CC[C@H]1C[NH3+] ZINC000923489429 644464474 /nfs/dbraw/zinc/46/44/74/644464474.db2.gz JXFSYXWQSJSPKQ-RYUDHWBXSA-N 2 0 236.363 0.879 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923490160 644466051 /nfs/dbraw/zinc/46/60/51/644466051.db2.gz BONITBKQWNDHAT-GRYCIOLGSA-N 2 0 230.352 0.301 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923491893 644467043 /nfs/dbraw/zinc/46/70/43/644467043.db2.gz KHCWSSAIOAEABK-NDBYEHHHSA-N 3 0 225.380 0.759 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492863 644467140 /nfs/dbraw/zinc/46/71/40/644467140.db2.gz QKYNHINYOJWDOQ-UPJWGTAASA-N 2 0 244.379 0.691 20 0 BCADRP C[C@H]1C[N@H+](Cc2cnns2)CC[C@H]1C[NH3+] ZINC000923492810 644467552 /nfs/dbraw/zinc/46/75/52/644467552.db2.gz OZQNMTFRJTUYRI-IUCAKERBSA-N 2 0 226.349 0.955 20 0 BCADRP COC[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923491828 644468007 /nfs/dbraw/zinc/46/80/07/644468007.db2.gz UJEUUPRKYVQCQP-VWYCJHECSA-N 2 0 200.326 0.938 20 0 BCADRP C[C@H]1C[N@H+](Cc2cc[nH]n2)CC[C@H]1C[NH3+] ZINC000923491500 644468065 /nfs/dbraw/zinc/46/80/65/644468065.db2.gz SMZBHZBEVRVGIC-UWVGGRQHSA-N 2 0 208.309 0.826 20 0 BCADRP CCOC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923497084 644469338 /nfs/dbraw/zinc/46/93/38/644469338.db2.gz KTRJQPKCMWMCKF-VHSXEESVSA-N 2 0 214.309 0.466 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923494258 644469944 /nfs/dbraw/zinc/46/99/44/644469944.db2.gz WXLULJOSJDHYHM-QWHCGFSZSA-N 2 0 244.379 0.956 20 0 BCADRP C[C@@H]1C[N@@H+]([C@@H]2CCOC2=O)CC[C@H]1C[NH3+] ZINC000923496990 644470058 /nfs/dbraw/zinc/47/00/58/644470058.db2.gz DEBHNZPTIQXOHQ-KXUCPTDWSA-N 2 0 212.293 0.219 20 0 BCADRP C[C@H]1CN(C[C@H]2CCC[NH2+]2)CC[C@@H]1C[NH3+] ZINC000923494086 644471031 /nfs/dbraw/zinc/47/10/31/644471031.db2.gz VQJHIIGQAYUIEF-QJPTWQEYSA-N 2 0 211.353 0.655 20 0 BCADRP COC(=O)CCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497076 644471104 /nfs/dbraw/zinc/47/11/04/644471104.db2.gz KTOQZLOPUIPRMQ-MNOVXSKESA-N 2 0 228.336 0.856 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923499333 644474021 /nfs/dbraw/zinc/47/40/21/644474021.db2.gz JYGKJQUWGDMLPD-HRDYMLBCSA-N 2 0 240.269 0.826 20 0 BCADRP CCn1cc(CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000923515586 644479090 /nfs/dbraw/zinc/47/90/90/644479090.db2.gz IBWHUVPNKBQJCJ-UONOGXRCSA-N 2 0 248.374 0.987 20 0 BCADRP C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000923516705 644479124 /nfs/dbraw/zinc/47/91/24/644479124.db2.gz OXXVHSIPZJSDGF-HZSPNIEDSA-N 3 0 237.391 0.917 20 0 BCADRP c1nc2n(n1)[C@H](C[N@@H+]1C[C@@H]3CC[NH2+]C[C@@H]3C1)CC2 ZINC000923515955 644479430 /nfs/dbraw/zinc/47/94/30/644479430.db2.gz OXESKLIEQRKESY-TUAOUCFPSA-N 2 0 247.346 0.307 20 0 BCADRP C[C@@H]1C[N@H+](CCN2CCO[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000923516077 644479821 /nfs/dbraw/zinc/47/98/21/644479821.db2.gz QMNHXCISEQRIOF-FRRDWIJNSA-N 2 0 241.379 0.234 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@]23CCOC3)C[C@H]1C[NH3+] ZINC000923515502 644480011 /nfs/dbraw/zinc/48/00/11/644480011.db2.gz XBXHDDWOULTSLG-FDYHWXHSSA-N 2 0 224.348 0.940 20 0 BCADRP C([C@@H]1C[C@]12CCOC2)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515981 644480863 /nfs/dbraw/zinc/48/08/63/644480863.db2.gz PMPMTSUNDROTFF-CRWXNKLISA-N 2 0 236.359 0.954 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515805 644481323 /nfs/dbraw/zinc/48/13/23/644481323.db2.gz MQBVCVZSNHKZMO-MROQNXINSA-N 3 0 223.364 0.383 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000923515573 644481379 /nfs/dbraw/zinc/48/13/79/644481379.db2.gz HJAWIOVEBRWQOX-USZNOCQGSA-N 2 0 227.327 0.228 20 0 BCADRP C([C@H]1C[C@]12CCOC2)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515982 644481528 /nfs/dbraw/zinc/48/15/28/644481528.db2.gz PMPMTSUNDROTFF-DGAVXFQQSA-N 2 0 236.359 0.954 20 0 BCADRP NC(=O)C12CCC(CC1)[N@@H+]2CC[C@H]1CC[NH2+]C1 ZINC000923529336 644485564 /nfs/dbraw/zinc/48/55/64/644485564.db2.gz DFMBQKGUAGGNCV-XSRFYTQQSA-N 2 0 237.347 0.468 20 0 BCADRP CC(C)CNC(=O)C1CC[NH+](CCC[NH3+])CC1 ZINC000923525621 644485598 /nfs/dbraw/zinc/48/55/98/644485598.db2.gz IAWTUCMYQZNBEW-UHFFFAOYSA-N 2 0 241.379 0.819 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534791 644487713 /nfs/dbraw/zinc/48/77/13/644487713.db2.gz XSXXOVFCRSUFSL-CHWSQXEVSA-N 2 0 241.379 0.175 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000923532997 644490311 /nfs/dbraw/zinc/49/03/11/644490311.db2.gz IHFLNKKZTVWDMN-ZDEQEGDKSA-N 2 0 239.363 0.055 20 0 BCADRP C[NH2+]CCCN1CC[C@H](C(=O)OC)C[C@@H]1C ZINC000923552779 644495363 /nfs/dbraw/zinc/49/53/63/644495363.db2.gz ZJFJCWLKDJTWBV-QWRGUYRKSA-N 2 0 228.336 0.869 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000923551043 644498037 /nfs/dbraw/zinc/49/80/37/644498037.db2.gz JBFBVHIGIDMUIJ-GRYCIOLGSA-N 2 0 240.347 0.869 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000923551045 644498970 /nfs/dbraw/zinc/49/89/70/644498970.db2.gz JBFBVHIGIDMUIJ-IJLUTSLNSA-N 2 0 240.347 0.869 20 0 BCADRP [NH3+]CCCN(Cc1ccccc1)[C@@H]1C[NH2+]C[C@H]1O ZINC000923559638 644499707 /nfs/dbraw/zinc/49/97/07/644499707.db2.gz HOZQVCKSAIJMIK-ZIAGYGMSSA-N 2 0 249.358 0.170 20 0 BCADRP COC[C@@H]1COCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000923556271 644501866 /nfs/dbraw/zinc/50/18/66/644501866.db2.gz FXZQBSDFCBQMDH-GRYCIOLGSA-N 2 0 228.336 0.461 20 0 BCADRP COC[C@@H](O)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093516585 644692343 /nfs/dbraw/zinc/69/23/43/644692343.db2.gz NXMAWUIMMWOHSA-UPJWGTAASA-N 2 0 244.379 0.894 20 0 BCADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000250451945 644758241 /nfs/dbraw/zinc/75/82/41/644758241.db2.gz VTUZOQUAWNNLKB-VWYCJHECSA-N 2 0 246.376 0.233 20 0 BCADRP CCOC[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250470033 644760408 /nfs/dbraw/zinc/76/04/08/644760408.db2.gz CLLYOQQSWSSCOH-ZGVCCVRISA-N 2 0 242.363 0.599 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(C2CC2)C1 ZINC000250622498 644770945 /nfs/dbraw/zinc/77/09/45/644770945.db2.gz ABQALDPPKGBVKO-GVXVVHGQSA-N 2 0 223.364 0.940 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250615804 644771035 /nfs/dbraw/zinc/77/10/35/644771035.db2.gz ILURUOMDZPQLPV-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C[C@H]1CCC[NH2+]1 ZINC000251413734 644803983 /nfs/dbraw/zinc/80/39/83/644803983.db2.gz OLRRMSZQYCALTO-NEPJUHHUSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H]1C[N@H+](CC(=O)NCC2CC2)CC[C@H]1C[NH3+] ZINC000251736964 644818185 /nfs/dbraw/zinc/81/81/85/644818185.db2.gz KQKFVCSHRANLGP-JQWIXIFHSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1C[NH3+] ZINC000253188652 644942580 /nfs/dbraw/zinc/94/25/80/644942580.db2.gz JXGBKYYYKAHPQG-VWYCJHECSA-N 2 0 225.336 0.134 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000841855866 645229427 /nfs/dbraw/zinc/22/94/27/645229427.db2.gz JFSBNNFIHLABPU-UWVGGRQHSA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+]CCOCCNc1ccc(OCC[NH3+])cc1 ZINC000843366623 645284967 /nfs/dbraw/zinc/28/49/67/645284967.db2.gz WZVUUDWMVBIWNC-UHFFFAOYSA-N 2 0 239.319 0.411 20 0 BCADRP CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000844187063 645315667 /nfs/dbraw/zinc/31/56/67/645315667.db2.gz CGNVUGVGRAOJKN-GHMZBOCLSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000844188674 645316166 /nfs/dbraw/zinc/31/61/66/645316166.db2.gz XSSSXSMPTLDNSP-CMPLNLGQSA-N 2 0 243.326 0.146 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)CCCCC[NH3+])C1 ZINC000844188472 645316961 /nfs/dbraw/zinc/31/69/61/645316961.db2.gz UJHMGKIEODYKLN-GFCCVEGCSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000844188675 645317591 /nfs/dbraw/zinc/31/75/91/645317591.db2.gz XSSSXSMPTLDNSP-JQWIXIFHSA-N 2 0 243.326 0.146 20 0 BCADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000928429761 645734653 /nfs/dbraw/zinc/73/46/53/645734653.db2.gz RVTLXEODLYPVEC-OPRDCNLKSA-N 2 0 213.325 0.145 20 0 BCADRP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)[NH+](C)C ZINC000928425111 645741841 /nfs/dbraw/zinc/74/18/41/645741841.db2.gz HBSOCWRSQABMFL-AXFHLTTASA-N 2 0 227.352 0.535 20 0 BCADRP C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC000928427389 645742666 /nfs/dbraw/zinc/74/26/66/645742666.db2.gz JYPJTXNQMRDZSE-GHMZBOCLSA-N 2 0 237.347 0.291 20 0 BCADRP C[N@@H+]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000123570035 645760091 /nfs/dbraw/zinc/76/00/91/645760091.db2.gz XCFFIUXOPOUKBR-NSHDSACASA-N 2 0 225.336 0.278 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000928448037 645770585 /nfs/dbraw/zinc/77/05/85/645770585.db2.gz MPPCBGIDHMGUFN-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC000877050094 645788226 /nfs/dbraw/zinc/78/82/26/645788226.db2.gz FKJZUDQFTSUKOJ-DDHJBXDOSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884269490 645871434 /nfs/dbraw/zinc/87/14/34/645871434.db2.gz PCMRLXYTUPKPIC-IEBDPFPHSA-N 2 0 225.336 0.228 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000884270565 645872931 /nfs/dbraw/zinc/87/29/31/645872931.db2.gz OKZVJWMHUFFEGM-SRVKXCTJSA-N 2 0 241.379 0.735 20 0 BCADRP CN(C(=O)[C@@H]1C[NH2+]CC1(C)C)C1(C[NH3+])CCC1 ZINC000884299761 645873799 /nfs/dbraw/zinc/87/37/99/645873799.db2.gz DPKMZHUSBVEPTR-JTQLQIEISA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@]23CCOC3)C[C@H]1[NH3+] ZINC000886839325 645890948 /nfs/dbraw/zinc/89/09/48/645890948.db2.gz BTFCQHUGECWZMX-KXNHARMFSA-N 2 0 210.321 0.692 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@H]1C[C@]12CCOC2 ZINC000886839577 645891828 /nfs/dbraw/zinc/89/18/28/645891828.db2.gz HWDQSDCQHRMFPZ-NEPJUHHUSA-N 2 0 212.337 0.954 20 0 BCADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)CO)CC1 ZINC000929276025 646057296 /nfs/dbraw/zinc/05/72/96/646057296.db2.gz NVEJZKDTXDWHGN-ZDUSSCGKSA-N 2 0 244.379 0.393 20 0 BCADRP C[NH+](C)CC1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000929281549 646059677 /nfs/dbraw/zinc/05/96/77/646059677.db2.gz BXILQFOVLJGVJQ-ZDUSSCGKSA-N 2 0 242.363 0.675 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CO[C@@H](C)[C@H]1C ZINC000924653489 646086909 /nfs/dbraw/zinc/08/69/09/646086909.db2.gz KMURJENCADRKFM-FRRDWIJNSA-N 2 0 244.379 0.968 20 0 BCADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cnn(C)n1 ZINC000924963533 646143514 /nfs/dbraw/zinc/14/35/14/646143514.db2.gz KOMKIVHYOGLUMZ-JTQLQIEISA-N 2 0 237.351 0.808 20 0 BCADRP CCC[NH+]1CCC(N[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925511468 646308050 /nfs/dbraw/zinc/30/80/50/646308050.db2.gz NNPWCCBRMCKKGI-CYBMUJFWSA-N 2 0 241.379 0.439 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C[C@H](O)[C@H](C)O)C[C@H]1C ZINC000929779706 646309952 /nfs/dbraw/zinc/30/99/52/646309952.db2.gz HRXHZOXAYYDCMA-VOAKCMCISA-N 2 0 244.379 0.533 20 0 BCADRP CCC[N@H+](CC)CCN[C@@H]1C[NH2+]CCOC1 ZINC000925529883 646319175 /nfs/dbraw/zinc/31/91/75/646319175.db2.gz NBEXRCCKQSBBCI-GFCCVEGCSA-N 2 0 229.368 0.296 20 0 BCADRP C(C[NH+]1CCCCC1)N[C@@H]1C[NH2+]CCOC1 ZINC000925534093 646320320 /nfs/dbraw/zinc/32/03/20/646320320.db2.gz SBDIJSPVIWTVLJ-GFCCVEGCSA-N 2 0 227.352 0.050 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925540720 646323014 /nfs/dbraw/zinc/32/30/14/646323014.db2.gz FENDNIBZFJKWTD-YNEHKIRRSA-N 2 0 241.379 0.437 20 0 BCADRP COCC[N@H+](C)CCCN[C@H]1CC[NH2+]C1(C)C ZINC000925541135 646323024 /nfs/dbraw/zinc/32/30/24/646323024.db2.gz AOASGJMENMOXHW-LBPRGKRZSA-N 2 0 243.395 0.685 20 0 BCADRP [NH3+][C@H]1C[C@@H]([NH2+]CCNc2cnccn2)C12CCC2 ZINC000925557948 646333450 /nfs/dbraw/zinc/33/34/50/646333450.db2.gz QTHGWTBBEUWROL-WDEREUQCSA-N 2 0 247.346 0.748 20 0 BCADRP C[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH2+]C12CCC2 ZINC000925564144 646337050 /nfs/dbraw/zinc/33/70/50/646337050.db2.gz HKCBGDJCVFSZLG-RYUDHWBXSA-N 2 0 223.364 0.955 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925574514 646342488 /nfs/dbraw/zinc/34/24/88/646342488.db2.gz RKKJXNIOCPCPEN-STQMWFEESA-N 2 0 241.379 0.439 20 0 BCADRP CCn1cnnc1CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925575102 646342734 /nfs/dbraw/zinc/34/27/34/646342734.db2.gz UXVBEIMCINECDN-MNOVXSKESA-N 2 0 249.362 0.700 20 0 BCADRP COCCOC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925576082 646342743 /nfs/dbraw/zinc/34/27/43/646342743.db2.gz VDBVHELJALKJDA-SDDRHHMPSA-N 2 0 242.363 0.897 20 0 BCADRP COCC[N@H+](C)CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925578186 646343178 /nfs/dbraw/zinc/34/31/78/646343178.db2.gz UMFZHWZZTDZGGR-GFCCVEGCSA-N 2 0 241.379 0.439 20 0 BCADRP CN1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1=O ZINC000925593107 646348992 /nfs/dbraw/zinc/34/89/92/646348992.db2.gz CVSJVYXWBLRGJY-HBNTYKKESA-N 2 0 239.363 0.713 20 0 BCADRP CNC(=O)CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925600129 646352567 /nfs/dbraw/zinc/35/25/67/646352567.db2.gz FHTCQHXAGNSGBC-SNVBAGLBSA-N 2 0 225.336 0.387 20 0 BCADRP CC1(C)C[C@@H]([NH2+]CCOCCO)C[C@@H]([NH3+])C1 ZINC000925610806 646360774 /nfs/dbraw/zinc/36/07/74/646360774.db2.gz IPQSVBINZLQNAW-MNOVXSKESA-N 2 0 230.352 0.491 20 0 BCADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925618784 646365974 /nfs/dbraw/zinc/36/59/74/646365974.db2.gz JSAAYNJZFVMPEB-AGIUHOORSA-N 2 0 241.379 0.293 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@]2(O)CCOC2)C1 ZINC000925624780 646369574 /nfs/dbraw/zinc/36/95/74/646369574.db2.gz BYBQNTIHBMFZRV-NQBHXWOUSA-N 2 0 242.363 0.633 20 0 BCADRP C[NH+]1CCC(O)(CN[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925623821 646370495 /nfs/dbraw/zinc/37/04/95/646370495.db2.gz SYJSJHFJVQRMPY-NSHDSACASA-N 2 0 241.379 0.173 20 0 BCADRP C[NH+](C)CCOCCN[C@H]1CC[NH2+]C1(C)C ZINC000925649997 646389289 /nfs/dbraw/zinc/38/92/89/646389289.db2.gz QOJYVIRMYYDYSM-NSHDSACASA-N 2 0 229.368 0.295 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000925651918 646392754 /nfs/dbraw/zinc/39/27/54/646392754.db2.gz LEUUMPQFOGLKPO-ILDUYXDCSA-N 2 0 212.337 0.878 20 0 BCADRP COCC[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925655677 646394144 /nfs/dbraw/zinc/39/41/44/646394144.db2.gz UOLRNOMQJMWLTJ-QJPTWQEYSA-N 2 0 244.379 0.879 20 0 BCADRP C1[NH2+]CC1N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925689542 646411026 /nfs/dbraw/zinc/41/10/26/646411026.db2.gz BMLBMBBCZYFPAZ-QWHCGFSZSA-N 2 0 223.364 0.716 20 0 BCADRP C1CCC2(C1)[NH2+]CC[C@@H]2N[C@H]1CC[NH2+]C1 ZINC000925690369 646411134 /nfs/dbraw/zinc/41/11/34/646411134.db2.gz JFOSFSLJGINEET-QWRGUYRKSA-N 2 0 209.337 0.613 20 0 BCADRP NC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925685361 646411589 /nfs/dbraw/zinc/41/15/89/646411589.db2.gz LMYUNGXTSFXOJI-FBSIBHIPSA-N 2 0 249.358 0.226 20 0 BCADRP CC1(C)CCC[N@@H+]1CCN[C@@H]1C[NH2+]CCOC1 ZINC000925684371 646411920 /nfs/dbraw/zinc/41/19/20/646411920.db2.gz HTJHEDLKKUIBBC-GFCCVEGCSA-N 2 0 241.379 0.439 20 0 BCADRP CC1(C)[C@@H](NC2C[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925690069 646416684 /nfs/dbraw/zinc/41/66/84/646416684.db2.gz DNJIFKCZQPDMBH-VWYCJHECSA-N 2 0 209.337 0.324 20 0 BCADRP NC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925693028 646418243 /nfs/dbraw/zinc/41/82/43/646418243.db2.gz QOIDFTIOEQANCB-LNFKQOIKSA-N 2 0 237.347 0.500 20 0 BCADRP C(C[NH2+]C1CC1)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925691823 646418320 /nfs/dbraw/zinc/41/83/20/646418320.db2.gz KCRSKHYMCMKJHW-MNSQCTGESA-N 2 0 221.348 0.324 20 0 BCADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1C[C@@H](O)C1)[NH2+]2 ZINC000925693830 646419518 /nfs/dbraw/zinc/41/95/18/646419518.db2.gz SGJKFXBDENCPDG-WUFAPUTGSA-N 2 0 210.321 0.628 20 0 BCADRP CC1(C)[C@@H](N[C@@H]2CC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925695123 646419567 /nfs/dbraw/zinc/41/95/67/646419567.db2.gz WMMSALHRHPBXIQ-WYUUTHIRSA-N 2 0 223.364 0.715 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1C[C@@H](O)C1)[NH2+]2 ZINC000925693821 646420161 /nfs/dbraw/zinc/42/01/61/646420161.db2.gz SGJKFXBDENCPDG-OWSRUXPGSA-N 2 0 210.321 0.628 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1C[C@@H](O)C1)[NH2+]2 ZINC000925693832 646420302 /nfs/dbraw/zinc/42/03/02/646420302.db2.gz SGJKFXBDENCPDG-ZNSALQAWSA-N 2 0 210.321 0.628 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000925695791 646421885 /nfs/dbraw/zinc/42/18/85/646421885.db2.gz XMJATPPVPYSQIS-QWRGUYRKSA-N 2 0 211.353 0.859 20 0 BCADRP [NH3+]C1(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCC1 ZINC000925697358 646422149 /nfs/dbraw/zinc/42/21/49/646422149.db2.gz FAYXTLSOIVGLFS-NGDQXYMTSA-N 2 0 221.348 0.454 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000925700306 646423184 /nfs/dbraw/zinc/42/31/84/646423184.db2.gz PGGYVPHIBDKPCF-AXFHLTTASA-N 2 0 211.353 0.986 20 0 BCADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C2(C)C)CC[NH2+]1 ZINC000925700241 646423445 /nfs/dbraw/zinc/42/34/45/646423445.db2.gz OHOZRDYFLJFZOI-OUAUKWLOSA-N 2 0 211.353 0.857 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925701389 646425070 /nfs/dbraw/zinc/42/50/70/646425070.db2.gz YRISQGNWHLQQQS-GRYCIOLGSA-N 2 0 223.364 0.859 20 0 BCADRP C[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)CC[NH2+]1 ZINC000925700752 646425245 /nfs/dbraw/zinc/42/52/45/646425245.db2.gz SLFWVTUWRCFDMQ-DDHJBXDOSA-N 2 0 223.364 0.986 20 0 BCADRP C[NH+](C)C1CCC([NH2+][C@H]2CNCCOC2)CC1 ZINC000925704936 646429117 /nfs/dbraw/zinc/42/91/17/646429117.db2.gz ITRKNAXLQNUXTJ-CPCZMJQVSA-N 2 0 241.379 0.437 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925706870 646431494 /nfs/dbraw/zinc/43/14/94/646431494.db2.gz KVQPZFZYVORXML-CCKSWGLSSA-N 2 0 239.338 0.272 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1C[NH2+]CCCO1 ZINC000925710767 646435231 /nfs/dbraw/zinc/43/52/31/646435231.db2.gz QSBZFFXPKAMKFE-QJPTWQEYSA-N 2 0 227.352 0.095 20 0 BCADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1C[NH2+]CCCO1 ZINC000925712458 646436648 /nfs/dbraw/zinc/43/66/48/646436648.db2.gz VBZXBQBBZWEGPW-RYUDHWBXSA-N 2 0 239.363 0.239 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC[C@@H]1C[NH2+]CCCO1 ZINC000925712845 646436666 /nfs/dbraw/zinc/43/66/66/646436666.db2.gz VPJJIRHLZGCBCW-QWRGUYRKSA-N 2 0 227.352 0.095 20 0 BCADRP FC1(F)CC[NH2+]C[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000925713958 646437999 /nfs/dbraw/zinc/43/79/99/646437999.db2.gz ZMDYMNNVBGLJRK-UWVGGRQHSA-N 2 0 245.317 0.858 20 0 BCADRP CC(C)C[N@H+](C)CCCN[C@@H]1C[NH2+]CCOC1 ZINC000925714546 646439614 /nfs/dbraw/zinc/43/96/14/646439614.db2.gz ZHXJCCBOIZNEKD-CYBMUJFWSA-N 2 0 243.395 0.542 20 0 BCADRP CC1(C)C[C@@H]([NH2+]CCOCCC[NH3+])C[C@@H]([NH3+])C1 ZINC000925716702 646440891 /nfs/dbraw/zinc/44/08/91/646440891.db2.gz GCQDALQSVSQGIZ-NEPJUHHUSA-N 3 0 243.395 0.847 20 0 BCADRP [NH3+]CCCOCCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925716700 646441022 /nfs/dbraw/zinc/44/10/22/646441022.db2.gz GBOSCOKXIZFCBV-LLVKDONJSA-N 2 0 227.352 0.226 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[NH2+][C@H]1C ZINC000925718956 646441296 /nfs/dbraw/zinc/44/12/96/646441296.db2.gz KSMKJTADFAIZIH-NNYUYHANSA-N 2 0 211.353 0.857 20 0 BCADRP C/C=C\C[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925717030 646441339 /nfs/dbraw/zinc/44/13/39/646441339.db2.gz HWJBXADSJVZEPX-HCEQNRBFSA-N 2 0 210.321 0.904 20 0 BCADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1)[NH2+]2 ZINC000925718456 646442095 /nfs/dbraw/zinc/44/20/95/646442095.db2.gz JFLZKVJHSRBTOG-KUYXLPFXSA-N 2 0 237.347 0.369 20 0 BCADRP C[C@@H]1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C[NH2+]1 ZINC000925718644 646442910 /nfs/dbraw/zinc/44/29/10/646442910.db2.gz OYFHOUQWMHECGY-VTAXGKEESA-N 2 0 235.375 0.713 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925719982 646443877 /nfs/dbraw/zinc/44/38/77/646443877.db2.gz CCTHBUCJGSAIHR-UTUOFQBUSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925719732 646443928 /nfs/dbraw/zinc/44/39/28/646443928.db2.gz VIOFEKIWCJQQQH-MNOVXSKESA-N 3 0 227.352 0.211 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925719718 646444490 /nfs/dbraw/zinc/44/44/90/646444490.db2.gz CCTHBUCJGSAIHR-GRYCIOLGSA-N 2 0 237.347 0.467 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[NH2+]C1(C)C ZINC000925719903 646444516 /nfs/dbraw/zinc/44/45/16/646444516.db2.gz QAYPEDWGEVKPSQ-AXFHLTTASA-N 2 0 211.353 0.857 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925719453 646444627 /nfs/dbraw/zinc/44/46/27/646444627.db2.gz RXWQCCABKFGXKL-WTHWOGDNSA-N 3 0 239.363 0.079 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925719450 646444949 /nfs/dbraw/zinc/44/49/49/646444949.db2.gz RXWQCCABKFGXKL-ASHHDVGLSA-N 3 0 239.363 0.079 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925721008 646445837 /nfs/dbraw/zinc/44/58/37/646445837.db2.gz WMWXJFBXIFYCCR-AATLWQCWSA-N 2 0 223.320 0.110 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925725586 646447494 /nfs/dbraw/zinc/44/74/94/646447494.db2.gz AUGGSVRQKIQHNQ-XWLWVQCSSA-N 3 0 209.337 0.583 20 0 BCADRP CC(C)[C@H]1CN([C@H]2C[NH2+]CCOC2)CC[N@@H+]1C ZINC000925725849 646451058 /nfs/dbraw/zinc/45/10/58/646451058.db2.gz BZAPIYCAZWIZDH-QWHCGFSZSA-N 2 0 241.379 0.247 20 0 BCADRP CC1(C)C[NH2+]CC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925726543 646452095 /nfs/dbraw/zinc/45/20/95/646452095.db2.gz UCFVGCGIJZYEIZ-NWDGAFQWSA-N 2 0 241.379 0.343 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925726967 646452407 /nfs/dbraw/zinc/45/24/07/646452407.db2.gz MERRBGXJKKGQAB-OUAUKWLOSA-N 3 0 209.337 0.598 20 0 BCADRP CC(C)([NH3+])CC[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000925736954 646461075 /nfs/dbraw/zinc/46/10/75/646461075.db2.gz LSLFNMDJBFKZTB-NEPJUHHUSA-N 2 0 241.379 0.470 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NCc1cc(N)cc[nH+]1 ZINC000925768712 646468934 /nfs/dbraw/zinc/46/89/34/646468934.db2.gz WAHBOKMASWTEST-SKDRFNHKSA-N 2 0 220.320 0.751 20 0 BCADRP C[C@H](N[C@@H](CO)C[C@@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000925767082 646469438 /nfs/dbraw/zinc/46/94/38/646469438.db2.gz MIDIEEFMMYDYOQ-RNJOBUHISA-N 2 0 242.363 0.647 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC[C@H]1C[NH2+]CCC1(F)F ZINC000925779787 646477707 /nfs/dbraw/zinc/47/77/07/646477707.db2.gz ZXMAEOGUDFJFNO-IVZWLZJFSA-N 2 0 235.322 0.947 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000925782298 646478578 /nfs/dbraw/zinc/47/85/78/646478578.db2.gz FEAGFRXGGMRQRJ-WRWGMCAJSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@H]1C ZINC000925781987 646479504 /nfs/dbraw/zinc/47/95/04/646479504.db2.gz ZSYAWRLENSQGFO-HTXLXMOSSA-N 2 0 223.364 0.713 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000925782221 646479634 /nfs/dbraw/zinc/47/96/34/646479634.db2.gz ISHVVKJPPCSIPZ-WRWGMCAJSA-N 2 0 211.353 0.667 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@H]1C ZINC000925781993 646479680 /nfs/dbraw/zinc/47/96/80/646479680.db2.gz ZSYAWRLENSQGFO-OJEZURLMSA-N 2 0 223.364 0.713 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000925785349 646481460 /nfs/dbraw/zinc/48/14/60/646481460.db2.gz WJZDYNBEXPPJTH-YVECIDJPSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000925798420 646486504 /nfs/dbraw/zinc/48/65/04/646486504.db2.gz WPKRXWMAZLKBLJ-LPWJVIDDSA-N 3 0 225.380 0.949 20 0 BCADRP CN1CCC([NH2+]CCN2CCC([NH3+])CC2)CC1 ZINC000925809301 646489630 /nfs/dbraw/zinc/48/96/30/646489630.db2.gz PQALVYAHEYKYAP-UHFFFAOYSA-N 2 0 240.395 0.093 20 0 BCADRP C[C@H]1COCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925811824 646491006 /nfs/dbraw/zinc/49/10/06/646491006.db2.gz LHECEIBSKGAMFW-AAEUAGOBSA-N 2 0 241.379 0.424 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817742 646493679 /nfs/dbraw/zinc/49/36/79/646493679.db2.gz WHJHLHYALAEEAO-WCQYABFASA-N 3 0 240.395 0.127 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817454 646494416 /nfs/dbraw/zinc/49/44/16/646494416.db2.gz SMXHRCWOVRCGIY-MNOVXSKESA-N 3 0 228.384 0.125 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC1CC(CC(N)=O)C1 ZINC000925821730 646495324 /nfs/dbraw/zinc/49/53/24/646495324.db2.gz IILJEHUTYMWRTI-UDNWOFFPSA-N 2 0 225.336 0.371 20 0 BCADRP NC(=O)CC1CC([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000925825339 646498060 /nfs/dbraw/zinc/49/80/60/646498060.db2.gz ZDOGBUFMRVXGAM-QQFIATSDSA-N 2 0 239.363 0.890 20 0 BCADRP CCN1CCC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1=O ZINC000925828168 646500131 /nfs/dbraw/zinc/50/01/31/646500131.db2.gz VOAYGQJTXGRQIF-MXWKQRLJSA-N 2 0 227.352 0.713 20 0 BCADRP CCO[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)C[NH+](C)C ZINC000925836229 646504119 /nfs/dbraw/zinc/50/41/19/646504119.db2.gz JCJGWZHDTDMCHM-JHJVBQTASA-N 2 0 243.395 0.813 20 0 BCADRP CCO[C@@H](C[NH2+]C1CCC([NH3+])CC1)CN(C)C ZINC000925838419 646505181 /nfs/dbraw/zinc/50/51/81/646505181.db2.gz MCIBWKFAWCYVRG-BPCQOVAHSA-N 2 0 243.395 0.813 20 0 BCADRP CCO[C@H](CN[C@H]1CCC[NH2+]CC1)C[NH+](C)C ZINC000925838276 646505355 /nfs/dbraw/zinc/50/53/55/646505355.db2.gz KYADGUOGAQERBJ-QWHCGFSZSA-N 2 0 243.395 0.685 20 0 BCADRP C(N[C@H]1CC[NH2+]C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841573 646508085 /nfs/dbraw/zinc/50/80/85/646508085.db2.gz QSHYNOLGXDBEBM-QJPTWQEYSA-N 2 0 209.337 0.470 20 0 BCADRP CC(C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925854653 646511099 /nfs/dbraw/zinc/51/10/99/646511099.db2.gz SDBBDTMKOGDFSS-JTQLQIEISA-N 2 0 226.320 0.670 20 0 BCADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CNOC1 ZINC000925859038 646512854 /nfs/dbraw/zinc/51/28/54/646512854.db2.gz FLRBLFFKEUIRFV-MWLCHTKSSA-N 2 0 236.319 0.403 20 0 BCADRP CCC[C@H](O)CC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000925860392 646513096 /nfs/dbraw/zinc/51/30/96/646513096.db2.gz YCFKBORYSIQKAQ-MROQNXINSA-N 2 0 244.379 0.879 20 0 BCADRP CCOCCOCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000925875194 646526129 /nfs/dbraw/zinc/52/61/29/646526129.db2.gz QITXVXDDIRMGIZ-NEPJUHHUSA-N 2 0 230.352 0.627 20 0 BCADRP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875000 646526145 /nfs/dbraw/zinc/52/61/45/646526145.db2.gz BCLZCFGJRSIXLW-AEJSXWLSSA-N 2 0 234.365 0.137 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOC1CCOCC1 ZINC000925877202 646527426 /nfs/dbraw/zinc/52/74/26/646527426.db2.gz FZCAOKAPKAHOGK-GHMZBOCLSA-N 2 0 230.352 0.897 20 0 BCADRP C[C@@H]1CCNC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879358 646529471 /nfs/dbraw/zinc/52/94/71/646529471.db2.gz BWEZZPYOCJIIBO-WYUUTHIRSA-N 2 0 211.353 0.701 20 0 BCADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCC[NH2+]1 ZINC000925880177 646529754 /nfs/dbraw/zinc/52/97/54/646529754.db2.gz PHVRMSACXZBQCJ-WHOHXGKFSA-N 3 0 211.353 0.844 20 0 BCADRP C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879680 646529783 /nfs/dbraw/zinc/52/97/83/646529783.db2.gz IFIVICRNVDPTKJ-FVCCEPFGSA-N 2 0 241.379 0.470 20 0 BCADRP C[C@H]1COC[C@H](C)C1[NH2+]CCOCC[NH+](C)C ZINC000926254664 646605893 /nfs/dbraw/zinc/60/58/93/646605893.db2.gz MZXYAUUEYRCYCW-RYUDHWBXSA-N 2 0 244.379 0.825 20 0 BCADRP CCn1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)nn1 ZINC000723679408 711534228 /nfs/dbraw/zinc/53/42/28/711534228.db2.gz CQQDKHNOKZYLKP-SNVBAGLBSA-N 2 0 223.324 0.469 20 0 BCADRP COc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)on1 ZINC000723701443 711534872 /nfs/dbraw/zinc/53/48/72/711534872.db2.gz CUUQQTHGLGCURX-SECBINFHSA-N 2 0 225.292 0.854 20 0 BCADRP CCOC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723922551 711545660 /nfs/dbraw/zinc/54/56/60/711545660.db2.gz OTLNDGGCBSMCIV-GMTAPVOTSA-N 2 0 228.336 0.855 20 0 BCADRP C[N@H+](CCC[NH3+])C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724555109 711589658 /nfs/dbraw/zinc/58/96/58/711589658.db2.gz BLYPHTMUTJKCGC-GARJFASQSA-N 2 0 214.309 0.071 20 0 BCADRP C[N@H+](CCO[C@H]1CCOC1)C1CCC([NH3+])CC1 ZINC000724927022 711629651 /nfs/dbraw/zinc/62/96/51/711629651.db2.gz VYYUQISGSMWWBR-BPCQOVAHSA-N 2 0 242.363 0.994 20 0 BCADRP CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000724915133 711627446 /nfs/dbraw/zinc/62/74/46/711627446.db2.gz KOGPGNQDLFFZJC-WISYIIOYSA-N 2 0 240.347 0.650 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720904024 711686788 /nfs/dbraw/zinc/68/67/88/711686788.db2.gz WBSXLBUSQIVWNG-QWRGUYRKSA-N 2 0 225.336 0.291 20 0 BCADRP CC[C@H](CN1CCOCC1)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000925819375 711755657 /nfs/dbraw/zinc/75/56/57/711755657.db2.gz AZZNTYNQSXUVSO-YNEHKIRRSA-N 2 0 243.395 0.813 20 0 BCADRP CC(C)OC[C@@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158170275 711832073 /nfs/dbraw/zinc/83/20/73/711832073.db2.gz XBRAAYKMEQSXBP-AGIUHOORSA-N 2 0 244.379 0.845 20 0 BCADRP COC[C@H](C[N@H+](C)C[C@@H](O)C[NH3+])C(C)C ZINC000721911787 711917290 /nfs/dbraw/zinc/91/72/90/711917290.db2.gz KKTWGOMPAIEYSZ-QWRGUYRKSA-N 2 0 218.341 0.156 20 0 BCADRP CC(C)[NH+](CCNC(=O)C1CC([NH3+])C1)C(C)C ZINC000703445885 712076031 /nfs/dbraw/zinc/07/60/31/712076031.db2.gz DWJCSHWFUMFTOI-UHFFFAOYSA-N 2 0 241.379 0.959 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]([NH3+])CCC(C)C ZINC000704463424 712109161 /nfs/dbraw/zinc/10/91/61/712109161.db2.gz XFIPJBSPHSQJKZ-SNVBAGLBSA-N 2 0 215.341 0.428 20 0 BCADRP C[C@@H]1CO[C@H](CO)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000709508090 712223267 /nfs/dbraw/zinc/22/32/67/712223267.db2.gz IDQKTECSQIKMRS-YPMHNXCESA-N 2 0 242.363 0.410 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CCOC1)C2 ZINC000709824755 712228607 /nfs/dbraw/zinc/22/86/07/712228607.db2.gz VGNCJOFKCXPWOP-KXNHARMFSA-N 2 0 210.321 0.835 20 0 BCADRP C[N@H+](CCCCCC[NH3+])CCN1CCOCC1 ZINC000710758072 712256588 /nfs/dbraw/zinc/25/65/88/712256588.db2.gz JGKFSRWCQWHEIL-UHFFFAOYSA-N 2 0 243.395 0.770 20 0 BCADRP C[C@@H](O)CCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710665745 712265654 /nfs/dbraw/zinc/26/56/54/712265654.db2.gz UPVXSTBGDZTDGM-GFCCVEGCSA-N 2 0 244.379 0.536 20 0 BCADRP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000710965446 712269753 /nfs/dbraw/zinc/26/97/53/712269753.db2.gz VDFPCTRYMWNRPW-VPOLOUISSA-N 2 0 210.321 0.881 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711312681 712293693 /nfs/dbraw/zinc/29/36/93/712293693.db2.gz YKMMPIVVQLKEGS-QWRGUYRKSA-N 2 0 239.363 0.442 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000711311155 712293700 /nfs/dbraw/zinc/29/37/00/712293700.db2.gz QPNNGBYEGPZELP-QWRGUYRKSA-N 2 0 239.363 0.300 20 0 BCADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C[C@H]1CCC[NH2+]1 ZINC000923434878 712322565 /nfs/dbraw/zinc/32/25/65/712322565.db2.gz BPUNPGXTAZHYEC-FIQHERPVSA-N 2 0 211.353 0.809 20 0 BCADRP C[C@@H](CO)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000379512397 712386732 /nfs/dbraw/zinc/38/67/32/712386732.db2.gz TXXHOICYIALRSZ-JTQLQIEISA-N 2 0 200.326 0.641 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712667792 712439589 /nfs/dbraw/zinc/43/95/89/712439589.db2.gz DBQVSXHNZXIMHB-SECBINFHSA-N 2 0 213.325 0.276 20 0 BCADRP C[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[NH+](C)C ZINC000713255911 712456948 /nfs/dbraw/zinc/45/69/48/712456948.db2.gz PYDXHGQGHSDAKF-SVDPJWKOSA-N 2 0 225.336 0.180 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000389681765 712689948 /nfs/dbraw/zinc/68/99/48/712689948.db2.gz XWTWXLGQEWEXNQ-NWDGAFQWSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720900781 712874967 /nfs/dbraw/zinc/87/49/67/712874967.db2.gz QTKCCNNRRIXYSY-HBNTYKKESA-N 2 0 225.336 0.419 20 0 BCADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H](O)C2)C12CCC2 ZINC000720938198 712880536 /nfs/dbraw/zinc/88/05/36/712880536.db2.gz ZVIXNWWOSPACHX-DBIOUOCHSA-N 2 0 210.321 0.617 20 0 BCADRP CC(C)([NH3+])CNC(=O)CCCCCC[NH3+] ZINC000381503011 710647874 /nfs/dbraw/zinc/64/78/74/710647874.db2.gz DHFUCQCAUUDDGX-UHFFFAOYSA-N 2 0 215.341 0.749 20 0 BCADRP [NH3+]CCCCCCC(=O)N1CC[C@H]([NH3+])C1 ZINC000381575910 710657326 /nfs/dbraw/zinc/65/73/26/710657326.db2.gz YJKLAJRRZWLNCZ-JTQLQIEISA-N 2 0 213.325 0.455 20 0 BCADRP C[C@@H](CC[NH+](C)C)[NH2+]C1CCN(C=O)CC1 ZINC000393747141 710671600 /nfs/dbraw/zinc/67/16/00/710671600.db2.gz KXQBVLSLRFAMRT-NSHDSACASA-N 2 0 227.352 0.537 20 0 BCADRP O=C1OCC[C@@H]1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000393742157 710672078 /nfs/dbraw/zinc/67/20/78/710672078.db2.gz CLBRZPNKHJJMET-DCAQKATOSA-N 2 0 224.304 0.091 20 0 BCADRP O=C1OCC[C@H]1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000393742163 710672143 /nfs/dbraw/zinc/67/21/43/710672143.db2.gz CLBRZPNKHJJMET-MXWKQRLJSA-N 2 0 224.304 0.091 20 0 BCADRP C([C@@H]1CCC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000381826946 710723206 /nfs/dbraw/zinc/72/32/06/710723206.db2.gz MOEQNSYQQYMVLK-SDDRHHMPSA-N 2 0 209.337 0.422 20 0 BCADRP C1=CO[C@H](C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000393821323 710804056 /nfs/dbraw/zinc/80/40/56/710804056.db2.gz KYEDBGWKYYWGBX-UTUOFQBUSA-N 2 0 208.305 0.830 20 0 BCADRP CC[NH+]1CCC(C[NH2+]Cc2cnn(C)n2)CC1 ZINC000393844903 710811372 /nfs/dbraw/zinc/81/13/72/710811372.db2.gz XXBBSNVANYOQNE-UHFFFAOYSA-N 2 0 237.351 0.637 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1C[C@H](O)C1(C)C ZINC000396712219 710907752 /nfs/dbraw/zinc/90/77/52/710907752.db2.gz RKZCMPARKWEFDQ-MMWGEVLESA-N 2 0 212.337 0.876 20 0 BCADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)CC[C@@H]1C[NH3+] ZINC000133092308 710968564 /nfs/dbraw/zinc/96/85/64/710968564.db2.gz SRKDFMAGSNMQQL-NXEZZACHSA-N 2 0 225.336 0.182 20 0 BCADRP CN(C[C@H]1CC[NH2+]C1)[C@@H]1CCCCNC1=O ZINC000382754672 710975081 /nfs/dbraw/zinc/97/50/81/710975081.db2.gz MDIZQZCQHHCUSN-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@]1([NH2+]C[C@H](O)C[NH+]2CCCC2)CCOC1 ZINC000383125731 710978226 /nfs/dbraw/zinc/97/82/26/710978226.db2.gz ULBUEWMYUSRYEA-STQMWFEESA-N 2 0 242.363 0.602 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000383564368 710983512 /nfs/dbraw/zinc/98/35/12/710983512.db2.gz FKKYFQFSMSWCKZ-VXGBXAGGSA-N 2 0 239.363 0.666 20 0 BCADRP c1cnn(CCC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1 ZINC000385541994 711014440 /nfs/dbraw/zinc/01/44/40/711014440.db2.gz USLKPAGMWLXFCI-YHQUGGNUSA-N 2 0 246.358 0.859 20 0 BCADRP [NH3+]CCCCCC[N@@H+]1CCC[C@H]1CO ZINC000385878733 711018654 /nfs/dbraw/zinc/01/86/54/711018654.db2.gz WOTZSSIDOKIIQX-NSHDSACASA-N 2 0 200.326 0.962 20 0 BCADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000389438240 711078323 /nfs/dbraw/zinc/07/83/23/711078323.db2.gz FMUNVLQDMKPODL-GFCCVEGCSA-N 2 0 212.337 0.785 20 0 BCADRP Cn1ncc(CN[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000389806905 711089577 /nfs/dbraw/zinc/08/95/77/711089577.db2.gz CKFSKQIMXWWEJS-BDAKNGLRSA-N 2 0 209.297 0.175 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000390206164 711108517 /nfs/dbraw/zinc/10/85/17/711108517.db2.gz SIVNHIAANVKUEV-NXEZZACHSA-N 2 0 213.325 0.213 20 0 BCADRP C[N@H+]1CC=C(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000392236601 711143667 /nfs/dbraw/zinc/14/36/67/711143667.db2.gz JUKJEDZQEOQXQZ-LXFSFDBISA-N 2 0 247.386 0.834 20 0 BCADRP C[C@H](NC(C[NH3+])C[NH3+])c1ccccc1F ZINC000393771487 711173441 /nfs/dbraw/zinc/17/34/41/711173441.db2.gz HLUVMXBWEHYBFS-QMMMGPOBSA-N 2 0 211.284 0.762 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@]2(CO)CCOC2)CC1 ZINC000393892839 711178686 /nfs/dbraw/zinc/17/86/86/711178686.db2.gz MXRGIDKKNWDNGZ-LBPRGKRZSA-N 2 0 228.336 0.069 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397303482 711380815 /nfs/dbraw/zinc/38/08/15/711380815.db2.gz LNPRTAJHDVKVOR-FVCCEPFGSA-N 2 0 244.379 0.689 20 0 BCADRP CO[C@H]1CCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000380807633 710591369 /nfs/dbraw/zinc/59/13/69/710591369.db2.gz IUUKSSGSGUEUCN-NEPJUHHUSA-N 2 0 230.352 0.722 20 0 BCADRP CCOC[C@@H](O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000381258004 710612217 /nfs/dbraw/zinc/61/22/17/710612217.db2.gz QTXMCKCHXJCDBQ-QWRGUYRKSA-N 2 0 230.352 0.362 20 0 BCADRP [NH3+][C@H](CC(=O)N1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000381280497 710615613 /nfs/dbraw/zinc/61/56/13/710615613.db2.gz YANMVIMECLPKBP-NXEZZACHSA-N 2 0 211.309 0.064 20 0 BCADRP [NH3+]CC1CC[NH+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000724563939 710742200 /nfs/dbraw/zinc/74/22/00/710742200.db2.gz QCBPJGRKFFMAKE-FRRDWIJNSA-N 2 0 240.347 0.461 20 0 BCADRP [NH3+]CC1CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000724563937 710742385 /nfs/dbraw/zinc/74/23/85/710742385.db2.gz QCBPJGRKFFMAKE-AGIUHOORSA-N 2 0 240.347 0.461 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000724563538 710742518 /nfs/dbraw/zinc/74/25/18/710742518.db2.gz NGMDFFFKEZVFBO-CYDGBPFRSA-N 2 0 240.347 0.332 20 0 BCADRP Cn1cncc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000384261357 710844419 /nfs/dbraw/zinc/84/44/19/710844419.db2.gz ONBKBZLLAJRNCA-GXSJLCMTSA-N 2 0 208.309 0.637 20 0 BCADRP c1cnn(CCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1 ZINC000385541991 711014114 /nfs/dbraw/zinc/01/41/14/711014114.db2.gz USLKPAGMWLXFCI-MEBFFEOJSA-N 2 0 246.358 0.859 20 0 BCADRP CC[NH+](CC)CCCNC1=[NH+]CCCN1C ZINC000386484392 711031072 /nfs/dbraw/zinc/03/10/72/711031072.db2.gz SQIHHRQJWOQLGJ-UHFFFAOYSA-N 2 0 226.368 0.999 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC[N@H+]1CC=CCC1 ZINC000396676191 711363192 /nfs/dbraw/zinc/36/31/92/711363192.db2.gz SZWDLEDUMABWNJ-STQMWFEESA-N 2 0 223.364 0.978 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000396707769 711366676 /nfs/dbraw/zinc/36/66/76/711366676.db2.gz NWOCVKZXVDQBRR-LOWVWBTDSA-N 2 0 223.364 0.953 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397303484 711380714 /nfs/dbraw/zinc/38/07/14/711380714.db2.gz LNPRTAJHDVKVOR-MROQNXINSA-N 2 0 244.379 0.689 20 0 BCADRP CC[NH+]1CCC(NCC(=O)N(C)OC)CC1 ZINC000397549152 711386315 /nfs/dbraw/zinc/38/63/15/711386315.db2.gz ZRPNUECARCBJKZ-UHFFFAOYSA-N 2 0 229.324 0.080 20 0 BCADRP C[C@H](CCO)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000397744334 711390563 /nfs/dbraw/zinc/39/05/63/711390563.db2.gz IOMZEBXJDICQFL-BSCCGWMCSA-N 2 0 238.375 0.981 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001074565005 711443773 /nfs/dbraw/zinc/44/37/73/711443773.db2.gz NPDVGKQWFOKYMX-SDDRHHMPSA-N 2 0 239.363 0.680 20 0 BCADRP C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)OC1CC1 ZINC000711765712 711466298 /nfs/dbraw/zinc/46/62/98/711466298.db2.gz OJEANCBSOLPRQN-LBPRGKRZSA-N 2 0 239.363 0.145 20 0 BCADRP C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)OC1CC1 ZINC000711765709 711466375 /nfs/dbraw/zinc/46/63/75/711466375.db2.gz OJEANCBSOLPRQN-GFCCVEGCSA-N 2 0 239.363 0.145 20 0 BCADRP CC(=O)NCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000383502813 711496424 /nfs/dbraw/zinc/49/64/24/711496424.db2.gz YOLICLUCWQZKKV-OBPIAQAESA-N 2 0 237.347 0.099 20 0 BCADRP C[C@@H](C(N)=O)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714426118 711506067 /nfs/dbraw/zinc/50/60/67/711506067.db2.gz FAXHSUZLVABRNP-VIFPVBQESA-N 2 0 227.352 0.557 20 0 BCADRP CO[C@@H]1CC[C@H]1[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000724156759 711507755 /nfs/dbraw/zinc/50/77/55/711507755.db2.gz RBZSNABLCCXJOM-WRWGMCAJSA-N 2 0 212.337 0.951 20 0 BCADRP CN1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1=O ZINC000723548245 711516227 /nfs/dbraw/zinc/51/62/27/711516227.db2.gz SJAKMQCNUHHOIU-GRYCIOLGSA-N 2 0 239.363 0.572 20 0 BCADRP COC(=O)[C@@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723684396 711534122 /nfs/dbraw/zinc/53/41/22/711534122.db2.gz XFGHEZOXBXINFQ-BDAKNGLRSA-N 2 0 200.282 0.219 20 0 BCADRP Cc1noc(C[N@@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000723690945 711534126 /nfs/dbraw/zinc/53/41/26/711534126.db2.gz CRQLUDUVBGYEEX-VIFPVBQESA-N 2 0 210.281 0.549 20 0 BCADRP COC(=O)[C@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723684397 711534255 /nfs/dbraw/zinc/53/42/55/711534255.db2.gz XFGHEZOXBXINFQ-DTWKUNHWSA-N 2 0 200.282 0.219 20 0 BCADRP COc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)on1 ZINC000723701444 711534902 /nfs/dbraw/zinc/53/49/02/711534902.db2.gz CUUQQTHGLGCURX-VIFPVBQESA-N 2 0 225.292 0.854 20 0 BCADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723887571 711543114 /nfs/dbraw/zinc/54/31/14/711543114.db2.gz VIGCELKHKXCNNV-GMTAPVOTSA-N 2 0 227.352 0.380 20 0 BCADRP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892180 711543922 /nfs/dbraw/zinc/54/39/22/711543922.db2.gz PSWXGNKMFDSINE-IJLUTSLNSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892066 711544181 /nfs/dbraw/zinc/54/41/81/711544181.db2.gz UIIZGBIVGBFKJS-OUAUKWLOSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1C[N@@H+]([C@H]2CCOC2=O)C[C@H]1CC[NH3+] ZINC000723901173 711544421 /nfs/dbraw/zinc/54/44/21/711544421.db2.gz OJEHCFBUEJTNGP-BBBLOLIVSA-N 2 0 212.293 0.219 20 0 BCADRP COC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901467 711544754 /nfs/dbraw/zinc/54/47/54/711544754.db2.gz PKYSTGFPSMEWFN-KXUCPTDWSA-N 2 0 214.309 0.465 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723907913 711544843 /nfs/dbraw/zinc/54/48/43/711544843.db2.gz FFEZTTVZFKLLKW-IJLUTSLNSA-N 2 0 230.352 0.301 20 0 BCADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CC[NH3+] ZINC000723902786 711545127 /nfs/dbraw/zinc/54/51/27/711545127.db2.gz ZOSBIJXOEHXKJH-VXGBXAGGSA-N 2 0 239.363 0.526 20 0 BCADRP C[C@@H](CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000891938849 711558814 /nfs/dbraw/zinc/55/88/14/711558814.db2.gz AGUVIMDYKDYKGA-GARJFASQSA-N 2 0 240.351 0.082 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NC1CC[NH2+]CC1 ZINC000891962386 711561997 /nfs/dbraw/zinc/56/19/97/711561997.db2.gz RJQQAAITIGLVDJ-UHFFFAOYSA-N 2 0 228.340 0.165 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C[C@H]1C[NH3+] ZINC000724560873 711590849 /nfs/dbraw/zinc/59/08/49/711590849.db2.gz XMQJQPDCHARBPF-FHUSYTEZSA-N 2 0 240.347 0.317 20 0 BCADRP C[N@H+](C[C@@H]1C[C@H]2COC[C@H]2O1)C1CC[NH2+]CC1 ZINC000724565592 711593058 /nfs/dbraw/zinc/59/30/58/711593058.db2.gz XWTNMCOKAPULRD-WCFLWFBJSA-N 2 0 240.347 0.474 20 0 BCADRP [NH3+]C1(C[NH2+]C[C@@H]2C[C@H]3COC[C@H]3O2)CCC1 ZINC000724578340 711594622 /nfs/dbraw/zinc/59/46/22/711594622.db2.gz XECRPINCXPYUER-GARJFASQSA-N 2 0 226.320 0.261 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724621141 711600244 /nfs/dbraw/zinc/60/02/44/711600244.db2.gz RLVOULOZRLTGRY-NGDQXYMTSA-N 2 0 240.347 0.506 20 0 BCADRP Cc1n[nH]cc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000724781178 711613984 /nfs/dbraw/zinc/61/39/84/711613984.db2.gz DELTYNVTZRHRFD-SNVBAGLBSA-N 2 0 208.309 0.889 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC000724813186 711616629 /nfs/dbraw/zinc/61/66/29/711616629.db2.gz GKZLTXBKQCSRGA-WYUUTHIRSA-N 2 0 210.321 0.835 20 0 BCADRP [NH3+]CC1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000724912454 711626985 /nfs/dbraw/zinc/62/69/85/711626985.db2.gz DGKVXXFSPJEVLX-GFCCVEGCSA-N 2 0 228.336 0.463 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO[C@H]1CCOC1)C2 ZINC000724960432 711634380 /nfs/dbraw/zinc/63/43/80/711634380.db2.gz NSNVNGNAASWKOY-CYDGBPFRSA-N 2 0 240.347 0.604 20 0 BCADRP Cc1nn(C)cc1C[NH2+]CCC(C)(C)[NH3+] ZINC000308945217 711651918 /nfs/dbraw/zinc/65/19/18/711651918.db2.gz FYRIIVSVVGRQCI-UHFFFAOYSA-N 2 0 210.325 0.946 20 0 BCADRP C[C@@H]1C[C@H](C(=O)NC(C)(C)C[NH3+])CC[NH2+]1 ZINC000309368802 711676425 /nfs/dbraw/zinc/67/64/25/711676425.db2.gz BOLPMDRVXAVLEM-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP Cc1ccc(CCNC(C[NH3+])C[NH3+])cc1 ZINC000309565876 711699424 /nfs/dbraw/zinc/69/94/24/711699424.db2.gz QOLMKWNNYNDKHA-UHFFFAOYSA-N 2 0 207.321 0.413 20 0 BCADRP COCCOC[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000893302965 711704391 /nfs/dbraw/zinc/70/43/91/711704391.db2.gz JDXLWYIMFSZZAX-GFCCVEGCSA-N 2 0 242.363 0.889 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925718332 711713919 /nfs/dbraw/zinc/71/39/19/711713919.db2.gz KXXYQFLOUSYLQG-ZDCRXTMVSA-N 2 0 209.337 0.596 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925719180 711715272 /nfs/dbraw/zinc/71/52/72/711715272.db2.gz QEQRUMQZRFUHEC-IVMZMKDDSA-N 2 0 221.348 0.323 20 0 BCADRP C[C@@]1(CN2CC[C@@]3(CCC[NH2+]3)C2)CC[NH2+]C1 ZINC000335248076 711720650 /nfs/dbraw/zinc/72/06/50/711720650.db2.gz FLZWHBPXBXZWGG-OLZOCXBDSA-N 2 0 223.364 0.814 20 0 BCADRP C([C@H]1CCC[NH2+]C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335269872 711721590 /nfs/dbraw/zinc/72/15/90/711721590.db2.gz KQTMXPQLEASBCC-QWHCGFSZSA-N 2 0 223.364 0.814 20 0 BCADRP C[C@@H]1CN(C)C(=O)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000257785437 711728437 /nfs/dbraw/zinc/72/84/37/711728437.db2.gz LOKSTTPWNGKTIU-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP [NH3+]CCC1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000724927043 711744131 /nfs/dbraw/zinc/74/41/31/711744131.db2.gz WIGGQWFSSKTQHA-ZDUSSCGKSA-N 2 0 242.363 0.853 20 0 BCADRP CC[C@H](CN1CCOCC1)[NH2+]C1CC[NH2+]CC1 ZINC000925821445 711756195 /nfs/dbraw/zinc/75/61/95/711756195.db2.gz JGUSXGJHYDGQOO-GFCCVEGCSA-N 2 0 241.379 0.439 20 0 BCADRP CCC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)COC1 ZINC000393959377 711757630 /nfs/dbraw/zinc/75/76/30/711757630.db2.gz NWVKNTPXVGSBML-JZRPKSSGSA-N 2 0 236.359 0.999 20 0 BCADRP C[NH2+][C@@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000310285566 711760379 /nfs/dbraw/zinc/76/03/79/711760379.db2.gz QKVVVGCZKPIDLU-OLZOCXBDSA-N 2 0 241.379 0.127 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879377 711761982 /nfs/dbraw/zinc/76/19/82/711761982.db2.gz CQAVRTJMNJBDLN-OUAUKWLOSA-N 3 0 211.353 0.844 20 0 BCADRP C[C@@H](C[NH2+]Cc1cnc[nH]1)N1CC[NH+](C)CC1 ZINC000894242773 711765910 /nfs/dbraw/zinc/76/59/10/711765910.db2.gz WPYGYMFFGVBCQT-NSHDSACASA-N 2 0 237.351 0.135 20 0 BCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1COC[C@@H]1C ZINC000924989968 711767849 /nfs/dbraw/zinc/76/78/49/711767849.db2.gz FYFLSDJEBMWFAT-YNEHKIRRSA-N 2 0 241.379 0.247 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000248502866 711779039 /nfs/dbraw/zinc/77/90/39/711779039.db2.gz ULVBXDLNHNLSRV-GARJFASQSA-N 2 0 239.363 0.570 20 0 BCADRP O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911715499 711819335 /nfs/dbraw/zinc/81/93/35/711819335.db2.gz YMNNUKNRMIWZQT-IRCOFANPSA-N 2 0 237.347 0.385 20 0 BCADRP C[NH2+]CCC1CC[NH+](C[C@@H](O)COC)CC1 ZINC000069730589 711893920 /nfs/dbraw/zinc/89/39/20/711893920.db2.gz VKBTVQJDEGVQFO-GFCCVEGCSA-N 2 0 230.352 0.315 20 0 BCADRP C[C@]1(C(N)=O)CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000700406895 711992003 /nfs/dbraw/zinc/99/20/03/711992003.db2.gz YVMYMKLGQDFFPE-AAEUAGOBSA-N 2 0 239.363 0.573 20 0 BCADRP C[C@@]1(C(N)=O)CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000700406897 711992024 /nfs/dbraw/zinc/99/20/24/711992024.db2.gz YVMYMKLGQDFFPE-DGCLKSJQSA-N 2 0 239.363 0.573 20 0 BCADRP CC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000700403923 711992374 /nfs/dbraw/zinc/99/23/74/711992374.db2.gz QJBPHKPCFFMCKJ-OLZOCXBDSA-N 2 0 239.363 0.587 20 0 BCADRP CCO[C@H]1CC[N@H+](C[C@@H]2CNCCO2)C1 ZINC000701720733 712028398 /nfs/dbraw/zinc/02/83/98/712028398.db2.gz XDSYQGMIEPCNPW-QWRGUYRKSA-N 2 0 214.309 0.086 20 0 BCADRP CCCNC(=O)[C@H](C)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702092270 712039094 /nfs/dbraw/zinc/03/90/94/712039094.db2.gz FNNWBLWTPCUQKL-GMXVVIOVSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)OCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702125539 712039509 /nfs/dbraw/zinc/03/95/09/712039509.db2.gz KGEACPWZGIEAOG-NWDGAFQWSA-N 2 0 212.337 0.953 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCSC2)C12CCC2 ZINC000702273587 712043715 /nfs/dbraw/zinc/04/37/15/712043715.db2.gz UYDKYHQQVQNLDA-GMTAPVOTSA-N 2 0 242.388 0.714 20 0 BCADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@]2(O)CCSC2)C12CCC2 ZINC000702273595 712044345 /nfs/dbraw/zinc/04/43/45/712044345.db2.gz UYDKYHQQVQNLDA-OUAUKWLOSA-N 2 0 242.388 0.714 20 0 BCADRP C[N@@H+]1C[C@@H]2CN(C[C@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000702334584 712047557 /nfs/dbraw/zinc/04/75/57/712047557.db2.gz XKHLLOMCLNLXFC-MJBXVCDLSA-N 2 0 237.391 0.870 20 0 BCADRP C[N@@H+]1C[C@@H]2C[NH+](CC[C@@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC000702376822 712049632 /nfs/dbraw/zinc/04/96/32/712049632.db2.gz RVXKHCFOSNGQRZ-MJBXVCDLSA-N 2 0 237.391 0.870 20 0 BCADRP OC1CC(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000702444525 712053794 /nfs/dbraw/zinc/05/37/94/712053794.db2.gz XNPNTZATATVJDX-JINZOJPXSA-N 2 0 236.359 0.733 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C2CC([NH3+])C2)C1 ZINC000703588693 712079635 /nfs/dbraw/zinc/07/96/35/712079635.db2.gz WSKGXKWLRBOQEV-VQXHTEKXSA-N 2 0 225.336 0.324 20 0 BCADRP CCO[C@@H]1C[N@H+](CC2CC(OC)C2)C[C@H]1C[NH3+] ZINC000703854407 712090471 /nfs/dbraw/zinc/09/04/71/712090471.db2.gz BKJHGXSFGHAVNR-POOIEITISA-N 2 0 242.363 0.707 20 0 BCADRP CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001034884350 712099150 /nfs/dbraw/zinc/09/91/50/712099150.db2.gz GELJEKLHAHWJQL-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP CCOC[C@H](O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000704542608 712110342 /nfs/dbraw/zinc/11/03/42/712110342.db2.gz SGMSFFMWRFUITM-SNVBAGLBSA-N 2 0 216.325 0.197 20 0 BCADRP CCCCOC[C@@H](O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000704590096 712112298 /nfs/dbraw/zinc/11/22/98/712112298.db2.gz NHIYXBQFBJNYOP-LBPRGKRZSA-N 2 0 244.379 0.977 20 0 BCADRP c1cnc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000705326229 712128418 /nfs/dbraw/zinc/12/84/18/712128418.db2.gz VDSARBYRZNCXCV-QJPTWQEYSA-N 2 0 232.331 0.954 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC000705905424 712139165 /nfs/dbraw/zinc/13/91/65/712139165.db2.gz ZHXCRSDLJRBAGQ-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP C[N@H+](CCn1cccn1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000707372774 712170175 /nfs/dbraw/zinc/17/01/75/712170175.db2.gz YQOOPLAOHLFCNI-PHIMTYICSA-N 2 0 208.309 0.552 20 0 BCADRP CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708060990 712179664 /nfs/dbraw/zinc/17/96/64/712179664.db2.gz AYZJHZQQONHPHK-WISYIIOYSA-N 2 0 241.379 0.816 20 0 BCADRP CO[C@H]1C[C@@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000708695438 712196914 /nfs/dbraw/zinc/19/69/14/712196914.db2.gz GJXSTCCYDKYBBZ-BUWWMVEJSA-N 2 0 236.359 0.997 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709779620 712217214 /nfs/dbraw/zinc/21/72/14/712217214.db2.gz VRZLXKMAEPKVPH-RYUDHWBXSA-N 2 0 228.336 0.069 20 0 BCADRP C[C@H](O)C[N@H+](CCC[NH2+]C1CC1)C1CC1 ZINC000709421851 712221394 /nfs/dbraw/zinc/22/13/94/712221394.db2.gz JRUGGCKDESBCDT-JTQLQIEISA-N 2 0 212.337 0.974 20 0 BCADRP Cc1cc(C)nc(CNC(C[NH3+])C[NH3+])c1 ZINC000710083724 712245118 /nfs/dbraw/zinc/24/51/18/712245118.db2.gz JNISICALYGKZDJ-UHFFFAOYSA-N 2 0 208.309 0.074 20 0 BCADRP C[NH+](C)CC1(O)CC[NH+](CC2CC2)CC1 ZINC000710640838 712264516 /nfs/dbraw/zinc/26/45/16/712264516.db2.gz FMIKRTJVUAJXTH-UHFFFAOYSA-N 2 0 212.337 0.785 20 0 BCADRP C[NH+](C)CC1(O)CC[NH+](C[C@H]2CCOC2)CC1 ZINC000710665650 712265153 /nfs/dbraw/zinc/26/51/53/712265153.db2.gz SYVORCBLKJUWTK-GFCCVEGCSA-N 2 0 242.363 0.411 20 0 BCADRP C[C@H](C(N)=O)[N@H+](C)CCCCCC[NH3+] ZINC000711167880 712287356 /nfs/dbraw/zinc/28/73/56/712287356.db2.gz DHYLRAOVWOVHMO-SECBINFHSA-N 2 0 201.314 0.311 20 0 BCADRP CCN(C)C[C@@H](O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711569072 712311177 /nfs/dbraw/zinc/31/11/77/712311177.db2.gz YCVSVUBHPPCVII-GRYCIOLGSA-N 2 0 244.404 0.594 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478844 712334197 /nfs/dbraw/zinc/33/41/97/712334197.db2.gz HYJCWSVWIWJQGP-RYUDHWBXSA-N 2 0 230.352 0.445 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923478736 712334206 /nfs/dbraw/zinc/33/42/06/712334206.db2.gz HTQIYHSBEJSQPI-UTUOFQBUSA-N 3 0 211.353 0.513 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923479155 712334366 /nfs/dbraw/zinc/33/43/66/712334366.db2.gz MSPCNOGZSNUXER-NSHDSACASA-N 3 0 211.353 0.799 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000923479431 712334581 /nfs/dbraw/zinc/33/45/81/712334581.db2.gz OVQOEJILRCUWCI-GHMZBOCLSA-N 2 0 235.335 0.436 20 0 BCADRP COC(C)(C)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000711860767 712335639 /nfs/dbraw/zinc/33/56/39/712335639.db2.gz DWTDIXQYZOEPIP-LBPRGKRZSA-N 2 0 244.379 0.848 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@H]1CCC[NH2+]1 ZINC000378749126 712358964 /nfs/dbraw/zinc/35/89/64/712358964.db2.gz SXPHWPDUAHRYER-DCAQKATOSA-N 2 0 215.316 0.370 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000379462117 712384811 /nfs/dbraw/zinc/38/48/11/712384811.db2.gz UETZDRNCZBDXQQ-WCABBAIRSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000379455643 712385155 /nfs/dbraw/zinc/38/51/55/712385155.db2.gz OIYLVDFSIQIWSM-YNEHKIRRSA-N 2 0 241.379 0.125 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712668373 712439928 /nfs/dbraw/zinc/43/99/28/712439928.db2.gz JJPUNQDMCDRJBB-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712670589 712440700 /nfs/dbraw/zinc/44/07/00/712440700.db2.gz LFFDWWDLFJMKQK-JTQLQIEISA-N 2 0 227.352 0.524 20 0 BCADRP C=C/C=C\CC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000713737841 712470777 /nfs/dbraw/zinc/47/07/77/712470777.db2.gz AJRNLDKNEMFLNW-PLNGDYQASA-N 2 0 223.364 0.956 20 0 BCADRP C[C@H]1C[N@H+](CCN2CCOC2=O)CC[C@@H]1C[NH3+] ZINC000714537977 712494134 /nfs/dbraw/zinc/49/41/34/712494134.db2.gz WUDJOMJKBGNLHG-WDEREUQCSA-N 2 0 241.335 0.355 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000715010022 712504054 /nfs/dbraw/zinc/50/40/54/712504054.db2.gz JWJJLOUAQSJYCH-QJPTWQEYSA-N 2 0 228.336 0.068 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000715124239 712510762 /nfs/dbraw/zinc/51/07/62/712510762.db2.gz KXLASKSFOPGQEW-CIUDSAMLSA-N 2 0 247.289 0.037 20 0 BCADRP C[C@@H](CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[NH+](C)C ZINC000715209170 712513722 /nfs/dbraw/zinc/51/37/22/712513722.db2.gz VAGRDJJFQXWGKI-CIUDSAMLSA-N 2 0 249.305 0.283 20 0 BCADRP [NH3+]CCOCC[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715462454 712519757 /nfs/dbraw/zinc/51/97/57/712519757.db2.gz UXNIQPIVGJELJP-OCAPTIKFSA-N 2 0 206.236 0.159 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000715573338 712529239 /nfs/dbraw/zinc/52/92/39/712529239.db2.gz QBKKZIJRASAIQB-MNOVXSKESA-N 2 0 239.363 0.857 20 0 BCADRP C[NH+](C)CCCC[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716157684 712552398 /nfs/dbraw/zinc/55/23/98/712552398.db2.gz IVXSRBYMHHHIEK-UHFFFAOYSA-N 2 0 248.392 0.493 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000829769340 712594472 /nfs/dbraw/zinc/59/44/72/712594472.db2.gz SNBPPDUDQSWRAJ-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP CC[N@@H+]1CCC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925489836 712615608 /nfs/dbraw/zinc/61/56/08/712615608.db2.gz AOPCVFHLKMMUDV-RYUDHWBXSA-N 2 0 227.352 0.049 20 0 BCADRP C[C@@H](CNC1=[NH+]C[C@H](C)N1)[NH+]1CCCC1 ZINC000379867748 712619246 /nfs/dbraw/zinc/61/92/46/712619246.db2.gz OXOHHOMJMVVCRO-UWVGGRQHSA-N 2 0 210.325 0.408 20 0 BCADRP OCC1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCC1 ZINC000717621864 712662796 /nfs/dbraw/zinc/66/27/96/712662796.db2.gz LQJKAJWLVPIJRM-NWBUJAPZSA-N 2 0 236.359 0.735 20 0 BCADRP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718319137 712754976 /nfs/dbraw/zinc/75/49/76/712754976.db2.gz NKISZPANAJZUSO-XQQFMLRXSA-N 2 0 240.347 0.021 20 0 BCADRP NC(=O)CC1CC([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000718461523 712763712 /nfs/dbraw/zinc/76/37/12/712763712.db2.gz UWINZVIEFKVETK-ADPBJBESSA-N 2 0 239.363 0.748 20 0 BCADRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NCC)C1 ZINC000719149143 712798855 /nfs/dbraw/zinc/79/88/55/712798855.db2.gz PILFPDXGDKNWIS-SNVBAGLBSA-N 2 0 212.341 0.852 20 0 BCADRP NC(=O)[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000719248303 712801120 /nfs/dbraw/zinc/80/11/20/712801120.db2.gz PLVBCGGVTBQMSI-RDFFEMEHSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H](CNC(=O)CC[NH2+]C(C)(C)C)[NH+](C)C ZINC000038089281 712806996 /nfs/dbraw/zinc/80/69/96/712806996.db2.gz MIIKLVXBUPGTDS-SNVBAGLBSA-N 2 0 229.368 0.831 20 0 BCADRP C[C@H](CNC(=O)CCCCCC[NH3+])[NH+](C)C ZINC000038089307 712807639 /nfs/dbraw/zinc/80/76/39/712807639.db2.gz ZYNOADOWQKUJEA-LLVKDONJSA-N 2 0 229.368 0.962 20 0 BCADRP C[C@H]1CC[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000719776869 712823674 /nfs/dbraw/zinc/82/36/74/712823674.db2.gz DZQKHRSPJQBYAT-LBPRGKRZSA-N 2 0 227.352 0.002 20 0 BCADRP CC(C)(CO)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000392890896 712857617 /nfs/dbraw/zinc/85/76/17/712857617.db2.gz TZIXCKWGDIKOCL-NGDQXYMTSA-N 2 0 224.348 0.591 20 0 BCADRP CC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720802390 712866483 /nfs/dbraw/zinc/86/64/83/712866483.db2.gz BONZIZPJTZBPRC-VGMNWLOBSA-N 2 0 240.269 0.826 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720888196 712874168 /nfs/dbraw/zinc/87/41/68/712874168.db2.gz MHRJRNGKPGXDPE-MXWKQRLJSA-N 2 0 225.336 0.276 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C[C@H]1CC[NH2+]C1 ZINC000720890296 712874362 /nfs/dbraw/zinc/87/43/62/712874362.db2.gz LJAIVJCLPOCLAT-YNEHKIRRSA-N 2 0 223.364 0.764 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720887326 712874378 /nfs/dbraw/zinc/87/43/78/712874378.db2.gz IGLRSSRZABZGIK-QJPTWQEYSA-N 2 0 239.363 0.680 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CC[NH3+] ZINC000720886015 712874556 /nfs/dbraw/zinc/87/45/56/712874556.db2.gz GSBVTDUHXIRHII-NXEZZACHSA-N 2 0 211.309 0.030 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720898768 712875039 /nfs/dbraw/zinc/87/50/39/712875039.db2.gz LDQCHINXUBFPQF-NNYUYHANSA-N 2 0 239.363 0.665 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720898703 712875106 /nfs/dbraw/zinc/87/51/06/712875106.db2.gz KWSFPEUWYGCSKX-RYUDHWBXSA-N 2 0 239.363 0.681 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000720901573 712875774 /nfs/dbraw/zinc/87/57/74/712875774.db2.gz SKBYMJGOXKRRLJ-FRRDWIJNSA-N 2 0 249.358 0.729 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C1=CC[C@H]([NH3+])C1 ZINC000720901585 712875813 /nfs/dbraw/zinc/87/58/13/712875813.db2.gz SKBYMJGOXKRRLJ-YNEHKIRRSA-N 2 0 249.358 0.729 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000720901476 712875967 /nfs/dbraw/zinc/87/59/67/712875967.db2.gz SALRTASNGGPNAT-WRWGMCAJSA-N 2 0 237.347 0.419 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720895501 712876628 /nfs/dbraw/zinc/87/66/28/712876628.db2.gz XWGJZHOOZNRBSB-LPEHRKFASA-N 2 0 211.309 0.029 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720895498 712876794 /nfs/dbraw/zinc/87/67/94/712876794.db2.gz XWGJZHOOZNRBSB-IVZWLZJFSA-N 2 0 211.309 0.029 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@H]1C[NH2+]CCO1 ZINC000720904152 712877184 /nfs/dbraw/zinc/87/71/84/712877184.db2.gz YZZQTVNSDLHGOC-FRRDWIJNSA-N 2 0 239.363 0.143 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CC1([NH3+])CC1 ZINC000720907455 712877261 /nfs/dbraw/zinc/87/72/61/712877261.db2.gz OYVWUNCLFJCTCI-MNOVXSKESA-N 2 0 237.347 0.563 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)CC[N@@H+]1C ZINC000720956291 712882934 /nfs/dbraw/zinc/88/29/34/712882934.db2.gz IMDQSPQNGIAMSO-WISYIIOYSA-N 2 0 212.337 0.830 20 0 BCADRP CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000721063191 712889727 /nfs/dbraw/zinc/88/97/27/712889727.db2.gz ISMPUYKZSFEJHR-USWWRNFRSA-N 2 0 225.336 0.052 20 0 BCADRP CC(C)([NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319290 398142555 /nfs/dbraw/zinc/14/25/55/398142555.db2.gz VVYAJMZRSHRYFE-UHFFFAOYSA-N 2 0 245.286 0.943 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000309768007 168321168 /nfs/dbraw/zinc/32/11/68/168321168.db2.gz JXCUZEPHEZVAIL-UHFFFAOYSA-N 2 0 215.341 0.605 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@H](C)[NH2+]C ZINC000309784587 168321946 /nfs/dbraw/zinc/32/19/46/168321946.db2.gz NRQJONZHICJDGN-VIFPVBQESA-N 2 0 215.341 0.476 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359379161 168322047 /nfs/dbraw/zinc/32/20/47/168322047.db2.gz NTRLAPBUHHTGKZ-QWRGUYRKSA-N 2 0 239.363 0.429 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@H](C)CC[NH3+] ZINC000336733957 168323054 /nfs/dbraw/zinc/32/30/54/168323054.db2.gz GXQDDJLRHLNRAB-SECBINFHSA-N 2 0 215.341 0.605 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](O)CC1 ZINC000378698850 346811022 /nfs/dbraw/zinc/81/10/22/346811022.db2.gz MHKITWFNJGCXMZ-NEPJUHHUSA-N 2 0 230.352 0.146 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000044763042 168323518 /nfs/dbraw/zinc/32/35/18/168323518.db2.gz TXMBWIRDXBGUCY-LLVKDONJSA-N 2 0 241.379 0.819 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418350939 192026698 /nfs/dbraw/zinc/02/66/98/192026698.db2.gz RLMZPAMQGLTZAU-GHMZBOCLSA-N 2 0 242.367 0.413 20 0 BCADRP CN(C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000649322680 398144617 /nfs/dbraw/zinc/14/46/17/398144617.db2.gz FXMNVEVMQZDPCZ-JHEVNIALSA-N 2 0 249.358 0.432 20 0 BCADRP CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000649322651 398144647 /nfs/dbraw/zinc/14/46/47/398144647.db2.gz CGTOQKLCNGMNFM-NDBYEHHHSA-N 2 0 249.358 0.147 20 0 BCADRP C[NH2+][C@H](C)Cc1noc(CC2CC[NH2+]CC2)n1 ZINC000258041771 349491420 /nfs/dbraw/zinc/49/14/20/349491420.db2.gz OMUCFCLXMUZYDR-SECBINFHSA-N 2 0 238.335 0.762 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063124224 349506572 /nfs/dbraw/zinc/50/65/72/349506572.db2.gz WAULCOMBFUUKJW-LLVKDONJSA-N 2 0 227.352 0.524 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062899404 349496226 /nfs/dbraw/zinc/49/62/26/349496226.db2.gz DIDDCJZKBDKAFE-GFCCVEGCSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000649342024 398159084 /nfs/dbraw/zinc/15/90/84/398159084.db2.gz HUNPEORFRSLLND-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]CC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000063166129 349500646 /nfs/dbraw/zinc/50/06/46/349500646.db2.gz GVOBFNNUJIGTBZ-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP CC[C@H](C(N)=O)[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166272 349500763 /nfs/dbraw/zinc/50/07/63/349500763.db2.gz RFJIFYDDNDGHTP-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]CCCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062967737 349503548 /nfs/dbraw/zinc/50/35/48/349503548.db2.gz BEVNLDJIUNFROW-GFCCVEGCSA-N 2 0 211.353 0.766 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062972770 349503560 /nfs/dbraw/zinc/50/35/60/349503560.db2.gz UVVBUFAJFQQSTB-WDEREUQCSA-N 2 0 227.352 0.666 20 0 BCADRP COCCN(C)CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422906126 398157088 /nfs/dbraw/zinc/15/70/88/398157088.db2.gz JEQANALMMTVLKI-OLZOCXBDSA-N 2 0 243.395 0.542 20 0 BCADRP COCCN(C)CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422906127 398157355 /nfs/dbraw/zinc/15/73/55/398157355.db2.gz JEQANALMMTVLKI-QWHCGFSZSA-N 2 0 243.395 0.542 20 0 BCADRP C[C@@H](C(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000649354136 398167489 /nfs/dbraw/zinc/16/74/89/398167489.db2.gz KITIJDQKFAHGAB-ONGXEEELSA-N 2 0 225.336 0.289 20 0 BCADRP C[C@@H](C(=O)NC[C@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000649355711 398168252 /nfs/dbraw/zinc/16/82/52/398168252.db2.gz AYWLXWOONCQXKI-CMPLNLGQSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H](C(=O)N(CC[NH3+])Cc1ccccc1)[NH+](C)C ZINC000649356120 398169579 /nfs/dbraw/zinc/16/95/79/398169579.db2.gz HNCMSJALNSHXES-LBPRGKRZSA-N 2 0 249.358 0.924 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(CO)CCOCC2)C1 ZINC000563426297 398171033 /nfs/dbraw/zinc/17/10/33/398171033.db2.gz RTMFUZLECVXXPJ-NWDGAFQWSA-N 2 0 242.363 0.635 20 0 BCADRP C[C@@H](C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)[NH+](C)C ZINC000649359285 398171881 /nfs/dbraw/zinc/17/18/81/398171881.db2.gz SJVXRHAFAQNMIK-HBNTYKKESA-N 2 0 225.336 0.147 20 0 BCADRP C[C@]1(C[NH3+])CC[N@H+](CCc2cn[nH]c2)C1 ZINC000379860332 398172860 /nfs/dbraw/zinc/17/28/60/398172860.db2.gz LRUMUKWRRZSZFR-LLVKDONJSA-N 2 0 208.309 0.623 20 0 BCADRP CC[C@H]1CN(C(=O)[C@H](C)[NH+](C)C)CC[C@H]1[NH3+] ZINC000649358730 398173731 /nfs/dbraw/zinc/17/37/31/398173731.db2.gz ARBKMCWWZWTVSJ-GARJFASQSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[NH+](C)C ZINC000649363268 398174627 /nfs/dbraw/zinc/17/46/27/398174627.db2.gz NSXQKHKBHVHXIX-DCAQKATOSA-N 2 0 225.336 0.147 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)[NH+](C)C ZINC000649362385 398175454 /nfs/dbraw/zinc/17/54/54/398175454.db2.gz ASSMXYDVTNVHBH-AAEUAGOBSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@H](C)C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000093110016 398176529 /nfs/dbraw/zinc/17/65/29/398176529.db2.gz CYDULJRWODVQGR-QWRGUYRKSA-N 2 0 202.342 0.935 20 0 BCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122363794 398177770 /nfs/dbraw/zinc/17/77/70/398177770.db2.gz GNFUOPHEYSOGOD-KXUCPTDWSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000649366105 398179002 /nfs/dbraw/zinc/17/90/02/398179002.db2.gz ZKEVJNYFWZWORJ-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H](C(=O)N(C)[C@@H](C[NH3+])C1CC1)[NH+](C)C ZINC000649367343 398179659 /nfs/dbraw/zinc/17/96/59/398179659.db2.gz QIQFEYWSGWSAQX-WPRPVWTQSA-N 2 0 213.325 0.132 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCn1cccn1 ZINC000424291426 398180479 /nfs/dbraw/zinc/18/04/79/398180479.db2.gz NVKITHCIRNFZAQ-GHMZBOCLSA-N 2 0 208.309 0.743 20 0 BCADRP C[C@@H](C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)[NH+](C)C ZINC000649367852 398180745 /nfs/dbraw/zinc/18/07/45/398180745.db2.gz IBIIWYJSUCSDGQ-VWYCJHECSA-N 2 0 227.352 0.380 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H](C)[NH+]1CCCC1)[NH+](C)C ZINC000533123757 398183909 /nfs/dbraw/zinc/18/39/09/398183909.db2.gz RIRGRGVVHTYHJH-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000649348366 398161654 /nfs/dbraw/zinc/16/16/54/398161654.db2.gz JHTUYAPGDSKJPT-MVWJERBFSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[N@@H+]1C1CC1 ZINC000649348484 398162378 /nfs/dbraw/zinc/16/23/78/398162378.db2.gz MBUJQNJZNPJONZ-XZPDDHLCSA-N 2 0 249.358 0.193 20 0 BCADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CCC[NH2+]1 ZINC000258783985 349514236 /nfs/dbraw/zinc/51/42/36/349514236.db2.gz TYMDMHIQMPNLHA-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP COCC[N@@H+]1CC[C@@H](NC[C@@H]2CCC[NH2+]2)C1 ZINC000423233146 398165188 /nfs/dbraw/zinc/16/51/88/398165188.db2.gz JFTHLJNJHFHPSW-NWDGAFQWSA-N 2 0 227.352 0.049 20 0 BCADRP C[NH2+]C1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000647793224 398188757 /nfs/dbraw/zinc/18/87/57/398188757.db2.gz PUSNXLGFPYHZMA-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP C[NH2+]CCCNC(=O)CCC(C)(C)[NH3+] ZINC000380221106 398191786 /nfs/dbraw/zinc/19/17/86/398191786.db2.gz JGVNVLBVWGGQBL-UHFFFAOYSA-N 2 0 201.314 0.230 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H](C)[NH+](C)C ZINC000649371101 398184190 /nfs/dbraw/zinc/18/41/90/398184190.db2.gz LTYQJGBBLMGFJW-CIUDSAMLSA-N 2 0 201.314 0.179 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000576254445 365540766 /nfs/dbraw/zinc/54/07/66/365540766.db2.gz BVYQVIPPKOLXSF-NNYUYHANSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@@H](CN(C)C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647796799 398201734 /nfs/dbraw/zinc/20/17/34/398201734.db2.gz OCYDZNUTGCHAQC-WUHRBBMRSA-N 2 0 225.380 0.914 20 0 BCADRP CC(C)[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000572868618 398203634 /nfs/dbraw/zinc/20/36/34/398203634.db2.gz UCPBGJZFZKWLIV-CYBMUJFWSA-N 2 0 239.363 0.442 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000446391553 398204477 /nfs/dbraw/zinc/20/44/77/398204477.db2.gz AGLLMHYGVAPDAD-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP c1ncn(CC[N@H+](C2CC2)C2CC[NH2+]CC2)n1 ZINC000649409009 398208657 /nfs/dbraw/zinc/20/86/57/398208657.db2.gz WJULQCPMOMALNF-UHFFFAOYSA-N 2 0 235.335 0.495 20 0 BCADRP CCOCC[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649411684 398213301 /nfs/dbraw/zinc/21/33/01/398213301.db2.gz RGAZXGXDXBNEOJ-ZDUSSCGKSA-N 2 0 241.379 0.250 20 0 BCADRP Cn1nccc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069723859 398213554 /nfs/dbraw/zinc/21/35/54/398213554.db2.gz DXXCKCUVRAENMP-LLVKDONJSA-N 2 0 222.336 0.981 20 0 BCADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@@H]1C[C@H]1C ZINC000576338100 365569199 /nfs/dbraw/zinc/56/91/99/365569199.db2.gz MZEBXQDWJSFUDW-GMTAPVOTSA-N 2 0 225.336 0.052 20 0 BCADRP C[NH2+]CCCN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000649412587 398214937 /nfs/dbraw/zinc/21/49/37/398214937.db2.gz ULFQOPHZTYOVDO-STQMWFEESA-N 2 0 241.379 0.127 20 0 BCADRP [NH3+]CC1(NC(=O)[C@H]2CCC[NH2+]2)CCCC1 ZINC000381030952 398219415 /nfs/dbraw/zinc/21/94/15/398219415.db2.gz AHWFJGOYPOHKFT-SECBINFHSA-N 2 0 211.309 0.126 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)NCCCC[NH3+])C1 ZINC000417217129 398211225 /nfs/dbraw/zinc/21/12/25/398211225.db2.gz QLEYKSALFQTZSH-NSHDSACASA-N 2 0 242.367 0.509 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000649414235 398213105 /nfs/dbraw/zinc/21/31/05/398213105.db2.gz NQJYTJYZDGWIKB-STQMWFEESA-N 2 0 225.380 0.870 20 0 BCADRP Cc1cc(C)n(CC[N@@H+](C)C2CC([NH3+])C2)n1 ZINC000386809519 398220368 /nfs/dbraw/zinc/22/03/68/398220368.db2.gz DHUKNTUBVTVWRC-UHFFFAOYSA-N 2 0 222.336 0.921 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NCC1([NH3+])CCC1 ZINC000418397670 192032916 /nfs/dbraw/zinc/03/29/16/192032916.db2.gz DMZZARBCJIJJOP-VIFPVBQESA-N 2 0 228.340 0.150 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418397151 192032828 /nfs/dbraw/zinc/03/28/28/192032828.db2.gz BTDDFKAOPZVJSP-OUAUKWLOSA-N 2 0 242.367 0.540 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418378276 192030301 /nfs/dbraw/zinc/03/03/01/192030301.db2.gz ALGFSBRBCGMDBE-UWVGGRQHSA-N 2 0 228.340 0.006 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418382330 192030332 /nfs/dbraw/zinc/03/03/32/192030332.db2.gz LYAUTHYEEBUTGB-QWRGUYRKSA-N 2 0 242.367 0.555 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000418395372 192033063 /nfs/dbraw/zinc/03/30/63/192033063.db2.gz BYECPEHZEUIYNH-QWRGUYRKSA-N 2 0 242.367 0.363 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000418395374 192033135 /nfs/dbraw/zinc/03/31/35/192033135.db2.gz BYECPEHZEUIYNH-WDEREUQCSA-N 2 0 242.367 0.363 20 0 BCADRP COCCC[N@H+](CCO)CC[C@@H]1CCC[NH+]1C ZINC000189876224 398226753 /nfs/dbraw/zinc/22/67/53/398226753.db2.gz UQVKZIZZYUBWCS-ZDUSSCGKSA-N 2 0 244.379 0.802 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418380665 192030598 /nfs/dbraw/zinc/03/05/98/192030598.db2.gz KHSAYLQNYXFWAD-ZJUUUORDSA-N 2 0 228.340 0.036 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418382326 192030667 /nfs/dbraw/zinc/03/06/67/192030667.db2.gz LYAUTHYEEBUTGB-GHMZBOCLSA-N 2 0 242.367 0.555 20 0 BCADRP O=C(NCC[C@H]1CCC[NH2+]1)NC[C@H]1CCC[NH2+]1 ZINC000418383225 192030748 /nfs/dbraw/zinc/03/07/48/192030748.db2.gz ZJQSZKNSBHTBAM-GHMZBOCLSA-N 2 0 240.351 0.180 20 0 BCADRP [NH3+][C@@H](CNC(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000418389020 192031806 /nfs/dbraw/zinc/03/18/06/192031806.db2.gz SXDPJBUYOAXKGE-RYUDHWBXSA-N 2 0 248.330 0.348 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000418388230 192031869 /nfs/dbraw/zinc/03/18/69/192031869.db2.gz NDCGZIPPUYCLCW-WDEREUQCSA-N 2 0 242.367 0.235 20 0 BCADRP [NH3+]C[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000418387595 192031884 /nfs/dbraw/zinc/03/18/84/192031884.db2.gz RDBDRNPWZDUBKW-WDEREUQCSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418394652 192032209 /nfs/dbraw/zinc/03/22/09/192032209.db2.gz YCIOTNVGFXKOIA-GXSJLCMTSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@@](C[NH3+])([NH2+]CCn1cccn1)C1CC1 ZINC000430569148 398228990 /nfs/dbraw/zinc/22/89/90/398228990.db2.gz DRABRNMMLHZPPN-NSHDSACASA-N 2 0 208.309 0.600 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418407831 192033590 /nfs/dbraw/zinc/03/35/90/192033590.db2.gz MCTLHTWGNLVLKW-UKKRHICBSA-N 2 0 242.367 0.539 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000418403274 192033695 /nfs/dbraw/zinc/03/36/95/192033695.db2.gz JEODAOVYJNGYFF-HBNTYKKESA-N 2 0 242.367 0.348 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334184141 136224100 /nfs/dbraw/zinc/22/41/00/136224100.db2.gz FWXIDJDSZWLUBZ-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418407829 192033781 /nfs/dbraw/zinc/03/37/81/192033781.db2.gz MCTLHTWGNLVLKW-MMWGEVLESA-N 2 0 242.367 0.539 20 0 BCADRP CCC[NH2+]CCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000418411650 192034080 /nfs/dbraw/zinc/03/40/80/192034080.db2.gz QHGBFUBTGBXYAK-JTQLQIEISA-N 2 0 230.356 0.269 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC(C)(C)[NH3+] ZINC000418411426 192034168 /nfs/dbraw/zinc/03/41/68/192034168.db2.gz FKBZVCHCFBCLPA-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418411189 192034231 /nfs/dbraw/zinc/03/42/31/192034231.db2.gz QAIDTMQNTMEERA-HBNTYKKESA-N 2 0 242.367 0.267 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418412186 192034236 /nfs/dbraw/zinc/03/42/36/192034236.db2.gz QZDLBDAWRLYWIP-SNVBAGLBSA-N 2 0 244.383 0.786 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NCC(C)(C)[NH3+] ZINC000418412046 192034473 /nfs/dbraw/zinc/03/44/73/192034473.db2.gz GVRLTSGOOFHSRD-VIFPVBQESA-N 2 0 230.356 0.540 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418417389 192034716 /nfs/dbraw/zinc/03/47/16/192034716.db2.gz VEFFMIXJZQRSBR-AEJSXWLSSA-N 2 0 228.340 0.150 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167516236 488174305 /nfs/dbraw/zinc/17/43/05/488174305.db2.gz XPYQBTPMGIMFMN-WOPDTQHZSA-N 2 0 239.363 0.666 20 0 BCADRP C([C@@H]1CC[NH2+]C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000647987551 398230745 /nfs/dbraw/zinc/23/07/45/398230745.db2.gz CJUMHCARBUOKHG-GRYCIOLGSA-N 2 0 209.337 0.280 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@H]([NH3+])C1 ZINC000418413341 192035179 /nfs/dbraw/zinc/03/51/79/192035179.db2.gz QQVGUKAXHIMOOK-GARJFASQSA-N 2 0 240.351 0.247 20 0 BCADRP CC(C)([NH3+])CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418413886 192035201 /nfs/dbraw/zinc/03/52/01/192035201.db2.gz KLUFATCIFGRCBR-RKDXNWHRSA-N 2 0 228.340 0.293 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418403344 192033352 /nfs/dbraw/zinc/03/33/52/192033352.db2.gz JJCNFLSZZBSPBR-GHMZBOCLSA-N 2 0 242.367 0.411 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H](C)C[NH3+] ZINC000418438037 192035827 /nfs/dbraw/zinc/03/58/27/192035827.db2.gz IMLZJVZPXUGZSR-ZJUUUORDSA-N 2 0 230.356 0.254 20 0 BCADRP C[N@H+](CC(=O)NC[C@H]1CC[NH+](C)C1)C1CCC1 ZINC000629951713 361799764 /nfs/dbraw/zinc/79/97/64/361799764.db2.gz ZUHUXTXOUKLQCT-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP CC[NH+](CC)CCNC(=O)C[N@H+](C)C1CCC1 ZINC000629945806 361786988 /nfs/dbraw/zinc/78/69/88/361786988.db2.gz NKDRXCJSHLFVGT-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP C[NH2+]CCN(C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000418439622 192035488 /nfs/dbraw/zinc/03/54/88/192035488.db2.gz JXNSINFSZGFJJV-JTQLQIEISA-N 2 0 230.356 0.221 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418435875 192035583 /nfs/dbraw/zinc/03/55/83/192035583.db2.gz GIHGHHSBDMMQBP-LPEHRKFASA-N 2 0 230.356 0.395 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@H](C)CCC[NH3+] ZINC000418439360 192035627 /nfs/dbraw/zinc/03/56/27/192035627.db2.gz NNLNBYFHELYHRN-SNVBAGLBSA-N 2 0 244.383 0.931 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NC[C@@H](C)C[NH3+] ZINC000418440339 192035642 /nfs/dbraw/zinc/03/56/42/192035642.db2.gz PHJLHPOJRMAWHE-VIFPVBQESA-N 2 0 230.356 0.398 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@H]([NH3+])C1 ZINC000418442231 192036174 /nfs/dbraw/zinc/03/61/74/192036174.db2.gz JISLEAWEFLATRY-VHSXEESVSA-N 2 0 228.340 0.247 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NCC([NH3+])(CC)CC ZINC000418446818 192036197 /nfs/dbraw/zinc/03/61/97/192036197.db2.gz ZZLZEJACFXWVOK-VIFPVBQESA-N 2 0 230.356 0.540 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@H](C)C[NH3+] ZINC000418442367 192036353 /nfs/dbraw/zinc/03/63/53/192036353.db2.gz MVVQCFPBLDIPCL-NXEZZACHSA-N 2 0 230.356 0.348 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)N[C@@H](C)CC[NH3+] ZINC000418443638 192036410 /nfs/dbraw/zinc/03/64/10/192036410.db2.gz VMAKRZNPRSJTFW-VIFPVBQESA-N 2 0 230.356 0.540 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N1CC[C@H]([NH3+])C1 ZINC000418442230 192036466 /nfs/dbraw/zinc/03/64/66/192036466.db2.gz JISLEAWEFLATRY-UWVGGRQHSA-N 2 0 228.340 0.247 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000432519480 398237824 /nfs/dbraw/zinc/23/78/24/398237824.db2.gz OAAXZDWHKUGDAF-GHMZBOCLSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000381266394 398242198 /nfs/dbraw/zinc/24/21/98/398242198.db2.gz UGACKZJWHLSCOT-LPEHRKFASA-N 2 0 213.325 0.165 20 0 BCADRP C[C@@H]1C[N@H+](CCc2cn[nH]c2)CC[C@H]1[NH3+] ZINC000379964729 398243440 /nfs/dbraw/zinc/24/34/40/398243440.db2.gz HAZIPLHUQLWAIA-MWLCHTKSSA-N 2 0 208.309 0.621 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000576507436 365611742 /nfs/dbraw/zinc/61/17/42/365611742.db2.gz VGHZRIXEJLUAPS-UTUOFQBUSA-N 2 0 211.353 0.988 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@@H](C)C[NH3+] ZINC000418448264 192037140 /nfs/dbraw/zinc/03/71/40/192037140.db2.gz QLCKYAHGYAONRA-DTWKUNHWSA-N 2 0 216.329 0.150 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@@H](C)C[NH3+] ZINC000418448265 192037427 /nfs/dbraw/zinc/03/74/27/192037427.db2.gz QLCKYAHGYAONRA-IUCAKERBSA-N 2 0 216.329 0.150 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000576517964 365616072 /nfs/dbraw/zinc/61/60/72/365616072.db2.gz WNLXVBWULPQHRT-OUAUKWLOSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000576581354 365630476 /nfs/dbraw/zinc/63/04/76/365630476.db2.gz FFLKASRVZNITGV-YFKTTZPYSA-N 2 0 239.363 0.583 20 0 BCADRP C[NH+](C)CCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418432356 192037747 /nfs/dbraw/zinc/03/77/47/192037747.db2.gz UFNJHTUDHDCPRH-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000576635278 365644584 /nfs/dbraw/zinc/64/45/84/365644584.db2.gz NTFHPVTYCZDVKH-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000576635279 365644802 /nfs/dbraw/zinc/64/48/02/365644802.db2.gz NTFHPVTYCZDVKH-MNOVXSKESA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000381254611 398252873 /nfs/dbraw/zinc/25/28/73/398252873.db2.gz QJTKRYFMWJOQGD-BBBLOLIVSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)[NH3+] ZINC000381313511 398253074 /nfs/dbraw/zinc/25/30/74/398253074.db2.gz MFRPIRHUMKHMIJ-DOLQZWNJSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C[C@@H]1CC[NH2+]C1 ZINC000381472886 398253632 /nfs/dbraw/zinc/25/36/32/398253632.db2.gz PGLOSWZULNHAKX-TUAOUCFPSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C[C@H]1CC[NH2+]C1 ZINC000381472868 398253675 /nfs/dbraw/zinc/25/36/75/398253675.db2.gz PGLOSWZULNHAKX-SDDRHHMPSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000576701634 365662573 /nfs/dbraw/zinc/66/25/73/365662573.db2.gz LDNWKMHRUQEXEM-RKDXNWHRSA-N 2 0 213.325 0.371 20 0 BCADRP C[NH2+]CCCN(C1CC1)C1CC[NH2+]CC1 ZINC000381485302 398259376 /nfs/dbraw/zinc/25/93/76/398259376.db2.gz HWWYUCVOZSXOPS-UHFFFAOYSA-N 3 0 211.353 0.812 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000576714046 365667599 /nfs/dbraw/zinc/66/75/99/365667599.db2.gz KFAMTJUAJXJLIZ-CYDGBPFRSA-N 2 0 244.379 0.797 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000381852380 398255349 /nfs/dbraw/zinc/25/53/49/398255349.db2.gz TWISESGBUKGGFS-RYUDHWBXSA-N 2 0 211.353 0.527 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C2([NH3+])CCC2)C1 ZINC000576754673 365676956 /nfs/dbraw/zinc/67/69/56/365676956.db2.gz XINOWZMMSROOLS-RKDXNWHRSA-N 2 0 211.309 0.111 20 0 BCADRP C[C@@](CN)([NH2+]CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000576756043 365678347 /nfs/dbraw/zinc/67/83/47/365678347.db2.gz AUHHCKCWYSGCET-JQWIXIFHSA-N 2 0 211.353 0.703 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1CC[NH2+]C1 ZINC000381540739 398262366 /nfs/dbraw/zinc/26/23/66/398262366.db2.gz IMBFUBXWYWVDLG-VXGBXAGGSA-N 2 0 213.369 0.901 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000230191405 259312494 /nfs/dbraw/zinc/31/24/94/259312494.db2.gz IIQVLAGHDAFYGW-DCAQKATOSA-N 2 0 225.336 0.195 20 0 BCADRP CC[NH2+]CCCNC(=O)CCC(C)(C)[NH3+] ZINC000381600269 398265927 /nfs/dbraw/zinc/26/59/27/398265927.db2.gz MCYKNYSNWVZOEL-UHFFFAOYSA-N 2 0 215.341 0.620 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH3+])[C@H](C)[NH3+] ZINC000378742203 346821316 /nfs/dbraw/zinc/82/13/16/346821316.db2.gz PWEXFNSXPPNUJN-UTINFBMNSA-N 2 0 213.325 0.356 20 0 BCADRP Cc1nnsc1C[NH2+]CCOCC[NH+](C)C ZINC000381601328 398266182 /nfs/dbraw/zinc/26/61/82/398266182.db2.gz HENNLAGVXVOWKO-UHFFFAOYSA-N 2 0 244.364 0.514 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000417781420 398267736 /nfs/dbraw/zinc/26/77/36/398267736.db2.gz JSNBVSLUSBBJIE-VHSXEESVSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000381698520 398270277 /nfs/dbraw/zinc/27/02/77/398270277.db2.gz HYYDXOKBEDWKJX-IVZWLZJFSA-N 2 0 213.325 0.228 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)CCCC[NH3+] ZINC000381734809 398270734 /nfs/dbraw/zinc/27/07/34/398270734.db2.gz OCTJGYHTLRCYSL-SNVBAGLBSA-N 2 0 215.341 0.749 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000381761873 346837990 /nfs/dbraw/zinc/83/79/90/346837990.db2.gz UDPFFTHONZYBJF-IJLUTSLNSA-N 2 0 230.352 0.314 20 0 BCADRP C[C@H]([NH3+])CC(=O)Nc1cccc(C[NH3+])c1 ZINC000381790644 398272104 /nfs/dbraw/zinc/27/21/04/398272104.db2.gz ZUNZYUDPPXUAOM-QMMMGPOBSA-N 2 0 207.277 0.821 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000165380845 361839560 /nfs/dbraw/zinc/83/95/60/361839560.db2.gz JUOQBGUVCNDDAV-OPRDCNLKSA-N 2 0 215.341 0.426 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000381801328 398273722 /nfs/dbraw/zinc/27/37/22/398273722.db2.gz DILAYAPBBDZDEP-SECBINFHSA-N 2 0 213.325 0.100 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000381801337 398274047 /nfs/dbraw/zinc/27/40/47/398274047.db2.gz DILAYAPBBDZDEP-VIFPVBQESA-N 2 0 213.325 0.100 20 0 BCADRP CCC[NH2+]CCNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418488095 192040816 /nfs/dbraw/zinc/04/08/16/192040816.db2.gz JPFBOXIODWDCSU-GHMZBOCLSA-N 2 0 242.367 0.426 20 0 BCADRP CC[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649480612 398278179 /nfs/dbraw/zinc/27/81/79/398278179.db2.gz MQDJPXXCUUXBLU-GFCCVEGCSA-N 2 0 211.353 0.718 20 0 BCADRP CCC[NH2+]CCNC(=O)NC[C@H]([NH3+])CC ZINC000418490734 192041351 /nfs/dbraw/zinc/04/13/51/192041351.db2.gz PYDYJHNGKRDKMK-SECBINFHSA-N 2 0 216.329 0.023 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418491285 192041595 /nfs/dbraw/zinc/04/15/95/192041595.db2.gz RRCCCJNWQVARKK-DVVUODLYSA-N 2 0 240.351 0.021 20 0 BCADRP CCC[NH2+]CCNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418488998 192041613 /nfs/dbraw/zinc/04/16/13/192041613.db2.gz MLKBOLOMTHAOFC-LLVKDONJSA-N 2 0 242.367 0.427 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000418496040 192042018 /nfs/dbraw/zinc/04/20/18/192042018.db2.gz VBSNNFXWMXZUPS-VWYCJHECSA-N 2 0 242.367 0.493 20 0 BCADRP CCCN(C(=O)NC[C@@H](C)C[NH3+])[C@@H]1CC[NH2+]C1 ZINC000418496573 192042205 /nfs/dbraw/zinc/04/22/05/192042205.db2.gz VPZJXFPVRUUZTA-WDEREUQCSA-N 2 0 242.367 0.365 20 0 BCADRP CCC[NH2+]CCNC(=O)NCC1([NH3+])CCC1 ZINC000418493469 192042301 /nfs/dbraw/zinc/04/23/01/192042301.db2.gz YBIRQOFRIJULHX-UHFFFAOYSA-N 2 0 228.340 0.167 20 0 BCADRP CCC(CC)NC(=O)[C@@H](C)N1CC[C@H](C[NH3+])C1 ZINC000050249229 168381659 /nfs/dbraw/zinc/38/16/59/168381659.db2.gz VHPJFKUYPFOHGJ-GHMZBOCLSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC[NH3+] ZINC000335606133 136236260 /nfs/dbraw/zinc/23/62/60/136236260.db2.gz LNRBZXKYRGNZQG-QWRGUYRKSA-N 2 0 240.351 0.213 20 0 BCADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)/C=C/C[NH+](C)C ZINC000493639548 529384914 /nfs/dbraw/zinc/38/49/14/529384914.db2.gz DMLDZJFGDDUBOP-NNNHXZLVSA-N 2 0 239.363 0.657 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000583921132 342723118 /nfs/dbraw/zinc/72/31/18/342723118.db2.gz SYQJHIIHHNVNRI-FIQHERPVSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH+]1CCC(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000335124804 398279973 /nfs/dbraw/zinc/27/99/73/398279973.db2.gz RDYPJUKSLDYFMQ-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP CCN(C)C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000231841718 342739851 /nfs/dbraw/zinc/73/98/51/342739851.db2.gz UVBDZBXVOBMXEM-HBNTYKKESA-N 2 0 227.352 0.713 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000418450566 192043084 /nfs/dbraw/zinc/04/30/84/192043084.db2.gz UZTXHQZXGIHRQE-WDEREUQCSA-N 2 0 242.367 0.363 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H](C)C[NH3+] ZINC000418451579 192042703 /nfs/dbraw/zinc/04/27/03/192042703.db2.gz WCLYCOHACLEOJC-DTWKUNHWSA-N 2 0 216.329 0.006 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000309629124 342760176 /nfs/dbraw/zinc/76/01/76/342760176.db2.gz JXOMZTAZDFIGCW-UWVGGRQHSA-N 2 0 213.325 0.100 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000145422382 342761290 /nfs/dbraw/zinc/76/12/90/342761290.db2.gz FLADQUWXWYHJGY-JXUBOQSCSA-N 2 0 230.356 0.537 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000418449359 192043012 /nfs/dbraw/zinc/04/30/12/192043012.db2.gz SVQSQIXQQNOWON-GHMZBOCLSA-N 2 0 242.367 0.493 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]([NH3+])CC ZINC000418448883 192043028 /nfs/dbraw/zinc/04/30/28/192043028.db2.gz RGJMRGQROKUDRQ-ZJUUUORDSA-N 2 0 230.356 0.540 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)NCC[C@H](C)[NH3+] ZINC000418451683 192043338 /nfs/dbraw/zinc/04/33/38/192043338.db2.gz WDZSRHZZWJUGQU-UWVGGRQHSA-N 2 0 230.356 0.540 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000418504568 192044946 /nfs/dbraw/zinc/04/49/46/192044946.db2.gz AQSYPQHVESKOHD-UHFFFAOYSA-N 2 0 242.367 0.494 20 0 BCADRP C[C@@H]([NH2+]CCC(N)=O)C1CC[NH+](C)CC1 ZINC000036746768 398287589 /nfs/dbraw/zinc/28/75/89/398287589.db2.gz WWOMRPRJWKJQAL-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](C)C[NH3+])C1 ZINC000418512735 192045843 /nfs/dbraw/zinc/04/58/43/192045843.db2.gz LMFJNJJPSXYXGV-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[NH+]2CCC1CC2 ZINC000335464290 398288738 /nfs/dbraw/zinc/28/87/38/398288738.db2.gz ORMPMWGYDIBISR-SNVBAGLBSA-N 2 0 225.336 0.420 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCCCC[NH3+] ZINC000418516559 192046098 /nfs/dbraw/zinc/04/60/98/192046098.db2.gz XOGRDWUNAHQMLY-LLVKDONJSA-N 2 0 242.367 0.509 20 0 BCADRP C[C@@]1(CN2CC[NH2+]C[C@](C)(F)C2)CC[NH2+]C1 ZINC000335479504 398291327 /nfs/dbraw/zinc/29/13/27/398291327.db2.gz KPGURGMQCGFUAA-NEPJUHHUSA-N 2 0 229.343 0.619 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H](C)C[NH3+] ZINC000418516900 192045949 /nfs/dbraw/zinc/04/59/49/192045949.db2.gz UBGVYBXIVAXOBR-OPRDCNLKSA-N 2 0 228.340 0.245 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)NC[C@@H]([NH3+])CC ZINC000417819013 398293918 /nfs/dbraw/zinc/29/39/18/398293918.db2.gz TUIKWKIZQGXVQY-NSHDSACASA-N 2 0 244.383 0.755 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)NCC[NH2+]CC ZINC000417815502 398294035 /nfs/dbraw/zinc/29/40/35/398294035.db2.gz OTKQUTXHNJETHW-UHFFFAOYSA-N 2 0 244.383 0.627 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000418521183 192047060 /nfs/dbraw/zinc/04/70/60/192047060.db2.gz IBZPLCACABIERM-KXUCPTDWSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CSC1 ZINC000381488630 539002467 /nfs/dbraw/zinc/00/24/67/539002467.db2.gz WLQOGOKJUOHTJY-NSHDSACASA-N 2 0 243.420 0.717 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000417822534 398294428 /nfs/dbraw/zinc/29/44/28/398294428.db2.gz ITBUWXZUESZHGX-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)N[C@H](C)C[NH3+] ZINC000417822696 398294584 /nfs/dbraw/zinc/29/45/84/398294584.db2.gz XFVLYUYMXHELKM-SNVBAGLBSA-N 2 0 230.356 0.365 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417822071 398294643 /nfs/dbraw/zinc/29/46/43/398294643.db2.gz JAHJURALENNSES-YFKTTZPYSA-N 2 0 237.347 0.052 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCCn2cncn2)CC[N@@H+]1C ZINC000381756938 539007339 /nfs/dbraw/zinc/00/73/39/539007339.db2.gz GGWMMLGLFQDSCO-RYUDHWBXSA-N 2 0 237.351 0.741 20 0 BCADRP C=Cn1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000381198275 538996234 /nfs/dbraw/zinc/99/62/34/538996234.db2.gz AOCNDXGZINISNE-TXEJJXNPSA-N 2 0 218.304 0.635 20 0 BCADRP CCCN(C(=O)N[C@H](C)CC[NH3+])[C@@H]1CC[NH2+]C1 ZINC000418518704 192046858 /nfs/dbraw/zinc/04/68/58/192046858.db2.gz FUTWLKKXGAYSBO-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP CC(C)CC[C@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000390354573 539020979 /nfs/dbraw/zinc/02/09/79/539020979.db2.gz QDVAVCUUVTUJPW-AVGNSLFASA-N 2 0 226.364 0.935 20 0 BCADRP C[NH+](C)CCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000418525698 192048037 /nfs/dbraw/zinc/04/80/37/192048037.db2.gz YFFLLGOXCRBPOO-UHFFFAOYSA-N 2 0 242.367 0.237 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)CCC[NH3+] ZINC000037097903 398301051 /nfs/dbraw/zinc/30/10/51/398301051.db2.gz OEIACJYAFNQMBI-UHFFFAOYSA-N 2 0 201.314 0.135 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000309747744 342847885 /nfs/dbraw/zinc/84/78/85/342847885.db2.gz GBFRWWVPSGYLKZ-ONGXEEELSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1([NH3+])CCC1 ZINC000418529990 192048563 /nfs/dbraw/zinc/04/85/63/192048563.db2.gz VBZHRJMXKCNPLQ-ZJUUUORDSA-N 2 0 240.351 0.165 20 0 BCADRP C[NH2+]C[C@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000583994240 342855941 /nfs/dbraw/zinc/85/59/41/342855941.db2.gz SJFMRPNYHFRSLI-LLVKDONJSA-N 2 0 213.369 0.916 20 0 BCADRP CCO[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000625096999 342852053 /nfs/dbraw/zinc/85/20/53/342852053.db2.gz IBHZEOMKLHLXTG-XQQFMLRXSA-N 2 0 224.348 0.953 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000583993334 342853583 /nfs/dbraw/zinc/85/35/83/342853583.db2.gz SKHMRSMCUTWNPB-FIQHERPVSA-N 2 0 239.363 0.489 20 0 BCADRP CC1CC[NH+](CC(=O)N(C)CCC[NH3+])CC1 ZINC000037049725 398299913 /nfs/dbraw/zinc/29/99/13/398299913.db2.gz QNHQZDXUZBWYLS-UHFFFAOYSA-N 2 0 227.352 0.526 20 0 BCADRP C[N@H+](CCn1ccnc1)C1(C(N)=O)CCCC1 ZINC000093214671 398310003 /nfs/dbraw/zinc/31/00/03/398310003.db2.gz HQTUAMZYIJUEPH-UHFFFAOYSA-N 2 0 236.319 0.613 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000309775161 342894731 /nfs/dbraw/zinc/89/47/31/342894731.db2.gz LMYWJEVHMOSVDP-IVZWLZJFSA-N 2 0 213.325 0.310 20 0 BCADRP CN(C(=O)C[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000336343507 398318204 /nfs/dbraw/zinc/31/82/04/398318204.db2.gz FPINKWONHLMOHA-FOSCPWQOSA-N 2 0 239.363 0.632 20 0 BCADRP [NH3+]CCCC(=O)N1CCC(CC[NH3+])CC1 ZINC000584001710 342899317 /nfs/dbraw/zinc/89/93/17/342899317.db2.gz VOYSXYNZIFBTMY-UHFFFAOYSA-N 2 0 213.325 0.313 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)[C@H](C)[NH3+])CC1 ZINC000036135360 342892958 /nfs/dbraw/zinc/89/29/58/342892958.db2.gz BTMHZRRFMOXLFZ-VIFPVBQESA-N 2 0 213.325 0.276 20 0 BCADRP C[C@]1(CNC(=O)C2([NH3+])CCCC2)CCC[NH2+]C1 ZINC000336597454 398323011 /nfs/dbraw/zinc/32/30/11/398323011.db2.gz WVJCMWVYBXTLNN-LBPRGKRZSA-N 2 0 239.363 0.764 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)NCC[N@H+]1CC=CCC1 ZINC000418568843 192051329 /nfs/dbraw/zinc/05/13/29/192051329.db2.gz XOKNCPRWOHVSPY-NSHDSACASA-N 2 0 240.351 0.285 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000418579438 192053068 /nfs/dbraw/zinc/05/30/68/192053068.db2.gz JVQIDQZFSXVKSL-VWYCJHECSA-N 2 0 240.351 0.260 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000036999079 342914981 /nfs/dbraw/zinc/91/49/81/342914981.db2.gz PIRKIVSQAIRCTO-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)CC[NH3+] ZINC000036999070 342915106 /nfs/dbraw/zinc/91/51/06/342915106.db2.gz UXKAGXPVEUUCPG-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC[NH3+] ZINC000037001273 342915365 /nfs/dbraw/zinc/91/53/65/342915365.db2.gz GRFWDJNKVVQXCQ-JTQLQIEISA-N 2 0 215.341 0.428 20 0 BCADRP C[NH+](C)CCOCC[NH2+]CC1(O)CCCC1 ZINC000234245480 342919192 /nfs/dbraw/zinc/91/91/92/342919192.db2.gz GRGFEBRBEDMAEF-UHFFFAOYSA-N 2 0 230.352 0.459 20 0 BCADRP [NH3+]CCCCC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000648106672 398327087 /nfs/dbraw/zinc/32/70/87/398327087.db2.gz LIYOZKOIHPHGBY-UHFFFAOYSA-N 2 0 248.330 0.795 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)C[NH3+])C[C@@H]1C ZINC000418583831 192053361 /nfs/dbraw/zinc/05/33/61/192053361.db2.gz ATXJBCXALGQJGT-DCAQKATOSA-N 2 0 242.367 0.458 20 0 BCADRP C[C@@H](NC(=O)N[C@@H](C[NH3+])C1CCCC1)[C@H](C)[NH3+] ZINC000418584196 192053782 /nfs/dbraw/zinc/05/37/82/192053782.db2.gz BYCKPGXSMIRVCL-NGZCFLSTSA-N 2 0 242.367 0.539 20 0 BCADRP CC(C)(C[NH3+])NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418586274 192053804 /nfs/dbraw/zinc/05/38/04/192053804.db2.gz FHSUTNHCEVTVAV-SNVBAGLBSA-N 2 0 242.367 0.540 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000418602667 192054782 /nfs/dbraw/zinc/05/47/82/192054782.db2.gz NNPPBFGJQYYYHT-VWYCJHECSA-N 2 0 242.367 0.376 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000418602664 192054578 /nfs/dbraw/zinc/05/45/78/192054578.db2.gz NNPPBFGJQYYYHT-GMTAPVOTSA-N 2 0 242.367 0.376 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000418602709 192054818 /nfs/dbraw/zinc/05/48/18/192054818.db2.gz NUXPSJBYMLRSAL-MXWKQRLJSA-N 2 0 242.367 0.376 20 0 BCADRP CC(C)[NH+]1CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000044802163 398331348 /nfs/dbraw/zinc/33/13/48/398331348.db2.gz LZEBIYFFDVSPBA-SNVBAGLBSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC[NH2+]C(C)(C)C ZINC000580309157 346888077 /nfs/dbraw/zinc/88/80/77/346888077.db2.gz JQXZNPOGLVJVOJ-SECBINFHSA-N 2 0 215.341 0.618 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000418609093 192055841 /nfs/dbraw/zinc/05/58/41/192055841.db2.gz DHCFFOALGFQEHB-JTQLQIEISA-N 2 0 240.351 0.071 20 0 BCADRP CSC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000580314451 346896867 /nfs/dbraw/zinc/89/68/67/346896867.db2.gz SQMSBNYJMSNCSP-PWSUYJOCSA-N 2 0 244.404 0.784 20 0 BCADRP CC1(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)C[NH2+]C1 ZINC000580314423 346896956 /nfs/dbraw/zinc/89/69/56/346896956.db2.gz RPODLWLNZZWBHM-LLVKDONJSA-N 2 0 245.326 0.513 20 0 BCADRP C[C@@H]1C[NH+](CCC[N@@H+]2C[C@H](O)[C@@H](C)C2)C[C@H]1O ZINC000351811818 136254645 /nfs/dbraw/zinc/25/46/45/136254645.db2.gz COSHRIQPSMBJMP-MPZDIEGVSA-N 2 0 242.363 0.002 20 0 BCADRP CCC[C@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000233336552 259335520 /nfs/dbraw/zinc/33/55/20/259335520.db2.gz NQTPMVPGGNWYQU-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000351859159 136258790 /nfs/dbraw/zinc/25/87/90/136258790.db2.gz BOJRKXCDTFLFPJ-UMNHJUIQSA-N 2 0 237.347 0.419 20 0 BCADRP C[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000036870190 342992683 /nfs/dbraw/zinc/99/26/83/342992683.db2.gz ZZXCACDPMHAQIT-LLVKDONJSA-N 2 0 246.376 0.105 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000309500756 259343570 /nfs/dbraw/zinc/34/35/70/259343570.db2.gz UWRFHCFFCLPNGE-GXSJLCMTSA-N 2 0 213.325 0.230 20 0 BCADRP C[C@@H](c1nc(C2([NH3+])CCC2)no1)[C@H](C)[NH3+] ZINC000309448999 259343275 /nfs/dbraw/zinc/34/32/75/259343275.db2.gz MCVOOEQMLGXDTB-RQJHMYQMSA-N 2 0 210.281 0.858 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000309506994 259343324 /nfs/dbraw/zinc/34/33/24/259343324.db2.gz WEFCXGFSSGVLOP-UWVGGRQHSA-N 2 0 213.325 0.087 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000309457714 259343340 /nfs/dbraw/zinc/34/33/40/259343340.db2.gz OACBTIMSKKBXRQ-SECBINFHSA-N 2 0 213.325 0.502 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000309416886 259343437 /nfs/dbraw/zinc/34/34/37/259343437.db2.gz JIOCCLOXDXUSQF-AATLWQCWSA-N 2 0 213.325 0.084 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H]([NH3+])C(C)C ZINC000309773323 259343974 /nfs/dbraw/zinc/34/39/74/259343974.db2.gz LBTPUQWVCRZNHC-SNVBAGLBSA-N 2 0 215.341 0.474 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000118975453 343064568 /nfs/dbraw/zinc/06/45/68/343064568.db2.gz FAETYJKDCBNOMF-JQWIXIFHSA-N 2 0 225.336 0.339 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000576877099 365699443 /nfs/dbraw/zinc/69/94/43/365699443.db2.gz YVHJFEYKHVZFJR-ZNSHCXBVSA-N 2 0 227.352 0.617 20 0 BCADRP CN(CC[NH3+])C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418645919 192059136 /nfs/dbraw/zinc/05/91/36/192059136.db2.gz SAUGWFQIRFULBW-JTQLQIEISA-N 2 0 242.367 0.365 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000383813087 349793150 /nfs/dbraw/zinc/79/31/50/349793150.db2.gz VRZYXLTZWSOEPZ-OLZOCXBDSA-N 2 0 243.395 0.325 20 0 BCADRP Cn1ccc(CN2CC[C@](C)(C[NH3+])C2)n1 ZINC000236095225 343074133 /nfs/dbraw/zinc/07/41/33/343074133.db2.gz NNHWMMQMUMMWNS-LLVKDONJSA-N 2 0 208.309 0.591 20 0 BCADRP CC[C@H](C(N)=O)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000082475129 362024679 /nfs/dbraw/zinc/02/46/79/362024679.db2.gz ITMADUDRDDMTJN-WCBMZHEXSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@H]1C[C@H](N(C)C(=O)C[NH+](C)C)CC[N@@H+]1C ZINC000175100597 362027017 /nfs/dbraw/zinc/02/70/17/362027017.db2.gz AAODAFGBWNIPJZ-WDEREUQCSA-N 2 0 227.352 0.489 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000449471670 259349234 /nfs/dbraw/zinc/34/92/34/259349234.db2.gz DBABZUBKGDLVSS-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP [NH3+][C@H]1CC=C(c2nc([C@@H]3CCC[NH2+]3)no2)C1 ZINC000634557538 362049500 /nfs/dbraw/zinc/04/95/00/362049500.db2.gz ZIWRFROVIFGWFS-IUCAKERBSA-N 2 0 220.276 0.999 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000237050302 343121823 /nfs/dbraw/zinc/12/18/23/343121823.db2.gz HMZYIDYEKRSSII-GRYCIOLGSA-N 2 0 241.379 0.960 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH2+]C1CC1 ZINC000237066983 343122301 /nfs/dbraw/zinc/12/23/01/343122301.db2.gz SQBREOLLYZFMQR-GFCCVEGCSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000092956366 343150259 /nfs/dbraw/zinc/15/02/59/343150259.db2.gz YKLFXWJVHLNYSK-HOSYDEDBSA-N 2 0 237.347 0.337 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000092956416 343150292 /nfs/dbraw/zinc/15/02/92/343150292.db2.gz VRFYFVQLLPHYKO-TUAOUCFPSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@]1(C(=O)N[C@H](C)C[C@H](C)[NH3+])CCC[NH2+]1 ZINC000576876141 365711500 /nfs/dbraw/zinc/71/15/00/365711500.db2.gz LUAOTGLXANSKRG-HOSYDEDBSA-N 2 0 227.352 0.761 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000370778924 343125715 /nfs/dbraw/zinc/12/57/15/343125715.db2.gz IMKVQKUGBBHIJA-CMPLNLGQSA-N 2 0 243.326 0.289 20 0 BCADRP C[NH2+]CCCC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237166782 343128414 /nfs/dbraw/zinc/12/84/14/343128414.db2.gz PSYIHMUMURNOFY-LLVKDONJSA-N 2 0 227.352 0.492 20 0 BCADRP C[C@](C[NH3+])(NC(=O)CC1(C[NH3+])CC1)C1CC1 ZINC000576937007 365725479 /nfs/dbraw/zinc/72/54/79/365725479.db2.gz UJSLLVPERFTZIO-LLVKDONJSA-N 2 0 225.336 0.359 20 0 BCADRP [NH3+]Cc1nnnn1CCC[NH+]1CCCCC1 ZINC000576940147 365726408 /nfs/dbraw/zinc/72/64/08/365726408.db2.gz HCBHBRIFFVDNDF-UHFFFAOYSA-N 2 0 224.312 0.008 20 0 BCADRP Cn1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nn1 ZINC000576944041 365728165 /nfs/dbraw/zinc/72/81/65/365728165.db2.gz QFPCEEPIBBXHGP-RYUDHWBXSA-N 2 0 249.362 0.637 20 0 BCADRP C[C@@H](C(=O)NCCC[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000131714765 343184171 /nfs/dbraw/zinc/18/41/71/343184171.db2.gz NRGAZYGDKLXEOP-ZYHUDNBSSA-N 2 0 235.331 0.788 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000092133655 343153583 /nfs/dbraw/zinc/15/35/83/343153583.db2.gz MBZOAWUXRBZNFH-NSHDSACASA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000124624781 343163167 /nfs/dbraw/zinc/16/31/67/343163167.db2.gz YSBIUZDSTQZERN-LLVKDONJSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1CC(=O)N1CCCCC1 ZINC000124599372 343163179 /nfs/dbraw/zinc/16/31/79/343163179.db2.gz VAAPDYJQGXXKMH-NWDGAFQWSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)CCC[NH2+]C1 ZINC000237505445 136272217 /nfs/dbraw/zinc/27/22/17/136272217.db2.gz DIMJAUIHROIXBG-DGCLKSJQSA-N 2 0 239.363 0.492 20 0 BCADRP C[NH2+]CC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000123883586 343166731 /nfs/dbraw/zinc/16/67/31/343166731.db2.gz UDXSWYUIBSDHST-UHFFFAOYSA-N 2 0 222.336 0.852 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000156914042 343199164 /nfs/dbraw/zinc/19/91/64/343199164.db2.gz FMKWZMPEXCUCTD-WDEREUQCSA-N 2 0 241.379 0.770 20 0 BCADRP CC[NH+]1CCC(CNC(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000156857907 343199294 /nfs/dbraw/zinc/19/92/94/343199294.db2.gz JJVPNEFXZCUFHU-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C[NH2+]C2CC2)CC[N@@H+]1C ZINC000157886176 343200262 /nfs/dbraw/zinc/20/02/62/343200262.db2.gz JVQOTCXKYGWXKD-ONGXEEELSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@H](CNC(=O)C(C)(C)C[NH3+])[NH+]1CCCC1 ZINC000160930845 343204051 /nfs/dbraw/zinc/20/40/51/343204051.db2.gz IRAFQTJCWCQGNA-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP COC[C@@H](C)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000163536418 343206906 /nfs/dbraw/zinc/20/69/06/343206906.db2.gz AMIQBOVPCKCZJV-WDEREUQCSA-N 2 0 200.326 0.940 20 0 BCADRP C[C@H](NC(=O)C[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000167908957 343209413 /nfs/dbraw/zinc/20/94/13/343209413.db2.gz WSQVIEBXQSTBSX-VHSXEESVSA-N 2 0 213.325 0.052 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000237966805 343220640 /nfs/dbraw/zinc/22/06/40/343220640.db2.gz TVJWARDFUDZDHC-OPRDCNLKSA-N 2 0 211.309 0.064 20 0 BCADRP O=C(CC1CC[NH2+]CC1)NC[C@@H]1CCC[NH2+]C1 ZINC000569720846 323038614 /nfs/dbraw/zinc/03/86/14/323038614.db2.gz LROYGESECYRVOW-GFCCVEGCSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCn1cccn1 ZINC000133593730 343191357 /nfs/dbraw/zinc/19/13/57/343191357.db2.gz QHQYNCHCJOGMSG-GHMZBOCLSA-N 2 0 208.309 0.695 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCn1cccn1 ZINC000133593937 343191364 /nfs/dbraw/zinc/19/13/64/343191364.db2.gz QHQYNCHCJOGMSG-WDEREUQCSA-N 2 0 208.309 0.695 20 0 BCADRP O=C(CC[C@H]1CC[NH2+]C1)N1CCC[NH2+]CC1 ZINC000134481449 343194494 /nfs/dbraw/zinc/19/44/94/343194494.db2.gz BEBZAGNVXXEBGP-NSHDSACASA-N 2 0 225.336 0.198 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C1([NH3+])CCCCC1 ZINC000087471824 136281606 /nfs/dbraw/zinc/28/16/06/136281606.db2.gz IBQRPAYMOZSBQM-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000353166105 136282353 /nfs/dbraw/zinc/28/23/53/136282353.db2.gz IZRMBVZUTRRZGO-VWYCJHECSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000634688588 343249079 /nfs/dbraw/zinc/24/90/79/343249079.db2.gz XAZAZEZELMXZQU-RYUDHWBXSA-N 2 0 230.352 0.722 20 0 BCADRP Cn1nccc1CC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000634688548 343249125 /nfs/dbraw/zinc/24/91/25/343249125.db2.gz VYQKDXQNVZACOV-VXGBXAGGSA-N 2 0 222.336 0.822 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418702975 192062422 /nfs/dbraw/zinc/06/24/22/192062422.db2.gz QIDJSUZDNCBMFN-ZRUFSTJUSA-N 2 0 242.367 0.633 20 0 BCADRP [NH3+]C1(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000398101440 488210289 /nfs/dbraw/zinc/21/02/89/488210289.db2.gz SXAJXUUTDIHFMG-UHFFFAOYSA-N 2 0 237.347 0.611 20 0 BCADRP C[C@@H]1CSCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000069760982 343290856 /nfs/dbraw/zinc/29/08/56/343290856.db2.gz MHXKJBKFXYHUIE-LLVKDONJSA-N 2 0 229.393 0.329 20 0 BCADRP C[C@H]1CSCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000069760983 343291043 /nfs/dbraw/zinc/29/10/43/343291043.db2.gz MHXKJBKFXYHUIE-NSHDSACASA-N 2 0 229.393 0.329 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000418702971 192062136 /nfs/dbraw/zinc/06/21/36/192062136.db2.gz QIDJSUZDNCBMFN-NAKRPEOUSA-N 2 0 242.367 0.633 20 0 BCADRP [NH3+]CCCN1CC[NH+](CC2CCOCC2)CC1 ZINC000052171474 343321065 /nfs/dbraw/zinc/32/10/65/343321065.db2.gz WVADSQCFMWAAAR-UHFFFAOYSA-N 2 0 241.379 0.379 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)CC1CC[NH2+]CC1 ZINC000060264708 343331144 /nfs/dbraw/zinc/33/11/44/343331144.db2.gz ZQBNUZVEYUWJOS-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CC[NH2+]CC1(C)C)[C@H](C)[NH3+] ZINC000584047852 343306299 /nfs/dbraw/zinc/30/62/99/343306299.db2.gz JACIUFSIWATHGM-KXUCPTDWSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@@H]1CCNC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000335639388 136303325 /nfs/dbraw/zinc/30/33/25/136303325.db2.gz UGPMGKAXPUJJEO-ZYHUDNBSSA-N 2 0 211.353 0.574 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)CC1([NH3+])CC1 ZINC000398132405 488212154 /nfs/dbraw/zinc/21/21/54/488212154.db2.gz WHICRPMMTAGSTH-SNVBAGLBSA-N 2 0 225.336 0.420 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219314867 536874876 /nfs/dbraw/zinc/87/48/76/536874876.db2.gz CIOXDEZEOFIFMJ-WDEREUQCSA-N 2 0 218.341 0.578 20 0 BCADRP C[C@@]1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000335654718 136305919 /nfs/dbraw/zinc/30/59/19/136305919.db2.gz ZVFFVOWUKWSUCH-PSASIEDQSA-N 2 0 247.289 0.099 20 0 BCADRP C[C@H]1CCN(C(=O)C2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000335657603 136306908 /nfs/dbraw/zinc/30/69/08/136306908.db2.gz QGXIGJMIMVZKEB-JQWIXIFHSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@H]1CCN(C(=O)C2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000335657600 136307010 /nfs/dbraw/zinc/30/70/10/136307010.db2.gz QGXIGJMIMVZKEB-CMPLNLGQSA-N 2 0 239.363 0.429 20 0 BCADRP C[C@H]1CCN(C(=O)C2([NH3+])CCC2)C[C@H]1C[NH3+] ZINC000335658573 136307186 /nfs/dbraw/zinc/30/71/86/136307186.db2.gz VUIKMOCTCYSGJS-VHSXEESVSA-N 2 0 225.336 0.311 20 0 BCADRP C[C@H]1CCN(C(=O)C2([NH3+])CCC2)C[C@@H]1C[NH3+] ZINC000335658572 136307374 /nfs/dbraw/zinc/30/73/74/136307374.db2.gz VUIKMOCTCYSGJS-UWVGGRQHSA-N 2 0 225.336 0.311 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)C1CC[NH2+]CC1 ZINC000335661366 136315115 /nfs/dbraw/zinc/31/51/15/136315115.db2.gz BWIMKPWAPHUBPR-SNVBAGLBSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000335661427 136315307 /nfs/dbraw/zinc/31/53/07/136315307.db2.gz DELMKURPCDPDAO-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP Cc1noc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000166231689 136315366 /nfs/dbraw/zinc/31/53/66/136315366.db2.gz CLHUPXHZCQRRCE-VXNVDRBHSA-N 2 0 210.281 0.547 20 0 BCADRP Cc1noc(CN2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000166231564 136315404 /nfs/dbraw/zinc/31/54/04/136315404.db2.gz CLHUPXHZCQRRCE-APPZFPTMSA-N 2 0 210.281 0.547 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000335662185 136315518 /nfs/dbraw/zinc/31/55/18/136315518.db2.gz FZNDKWAYXHSINC-WDEREUQCSA-N 2 0 239.363 0.892 20 0 BCADRP C[C@H](NC(=O)C1([NH3+])CCCC1)[C@H]1CCC[NH2+]C1 ZINC000335694158 136326114 /nfs/dbraw/zinc/32/61/14/136326114.db2.gz PZXAKYSWCKPVPF-QWRGUYRKSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000040809139 343409585 /nfs/dbraw/zinc/40/95/85/343409585.db2.gz OMRQEMQQXCMUSB-ZYHUDNBSSA-N 2 0 235.331 0.753 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000040827139 343409918 /nfs/dbraw/zinc/40/99/18/343409918.db2.gz SVYOTDPACJPRGH-DTWKUNHWSA-N 2 0 241.360 0.814 20 0 BCADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)CN(C)CCOC ZINC000310292756 343419546 /nfs/dbraw/zinc/41/95/46/343419546.db2.gz RVPOAMMJNNKJNS-XQQFMLRXSA-N 2 0 246.395 0.950 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000335727801 136347903 /nfs/dbraw/zinc/34/79/03/136347903.db2.gz UGDJQGDOTCWAOG-OLZOCXBDSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335734676 136349923 /nfs/dbraw/zinc/34/99/23/136349923.db2.gz VIYOYWKXGVTUJH-DGCLKSJQSA-N 2 0 239.363 0.444 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000335684829 136330086 /nfs/dbraw/zinc/33/00/86/136330086.db2.gz AOFZURYDNSTAMR-AAEUAGOBSA-N 2 0 247.342 0.802 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000335684830 136330127 /nfs/dbraw/zinc/33/01/27/136330127.db2.gz AOFZURYDNSTAMR-DGCLKSJQSA-N 2 0 247.342 0.802 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000335700527 136333603 /nfs/dbraw/zinc/33/36/03/136333603.db2.gz WZZXFCXJZKXCCG-NEPJUHHUSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000335700529 136333947 /nfs/dbraw/zinc/33/39/47/136333947.db2.gz WZZXFCXJZKXCCG-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]C1(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCCC1 ZINC000335701469 136334151 /nfs/dbraw/zinc/33/41/51/136334151.db2.gz MLODXYOHWFMSTN-GHMZBOCLSA-N 2 0 237.347 0.468 20 0 BCADRP O=C(N1CCC[NH2+]CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000335850334 136355434 /nfs/dbraw/zinc/35/54/34/136355434.db2.gz BQHLCLDMHKLFDM-DGCLKSJQSA-N 2 0 237.347 0.198 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000580547666 365744088 /nfs/dbraw/zinc/74/40/88/365744088.db2.gz OKVSDHZOVAETIZ-GFCCVEGCSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000576986883 365744260 /nfs/dbraw/zinc/74/42/60/365744260.db2.gz ZDHJYLKGCLHIDD-GHMZBOCLSA-N 2 0 227.352 0.490 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000166640110 136362324 /nfs/dbraw/zinc/36/23/24/136362324.db2.gz ZTYFPIAVYOHXEZ-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP COC[C@]1(C[NH2+]CC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000576992493 365745821 /nfs/dbraw/zinc/74/58/21/365745821.db2.gz QFEYUOKDSQJDEG-CYBMUJFWSA-N 3 0 241.379 0.344 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1(C)CC[NH2+]CC1 ZINC000576988666 365745903 /nfs/dbraw/zinc/74/59/03/365745903.db2.gz AZGNELWHIXBGOW-UWVGGRQHSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+][C@H](C(=O)NC1CCC([NH3+])CC1)C1CCC1 ZINC000335654606 136376370 /nfs/dbraw/zinc/37/63/70/136376370.db2.gz WGOPSPGQWSDUCX-ILDUYXDCSA-N 2 0 225.336 0.500 20 0 BCADRP C[C@@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000082993305 343470474 /nfs/dbraw/zinc/47/04/74/343470474.db2.gz QWGNDQYJUCAQCU-WAAKLRNESA-N 2 0 212.337 0.972 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H](C[NH3+])C(C)C ZINC000044793405 343514820 /nfs/dbraw/zinc/51/48/20/343514820.db2.gz KSBMBHQQKSRMEC-LLVKDONJSA-N 2 0 229.368 0.675 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000152318903 343533231 /nfs/dbraw/zinc/53/32/31/343533231.db2.gz UFOFCVGKSZNCRA-LBPRGKRZSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000570089723 323049379 /nfs/dbraw/zinc/04/93/79/323049379.db2.gz WRMMHKMDZYZVHM-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@]1(C(=O)N2CCC[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000570091249 323049538 /nfs/dbraw/zinc/04/95/38/323049538.db2.gz FRLPNUYKLITFAU-JQWIXIFHSA-N 2 0 225.336 0.183 20 0 BCADRP COCC[NH2+]C1CC[NH+](C[C@H](C)COC)CC1 ZINC000570167138 323051808 /nfs/dbraw/zinc/05/18/08/323051808.db2.gz VKCIMJIYDPFNPB-LBPRGKRZSA-N 2 0 244.379 0.969 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000570210845 323052936 /nfs/dbraw/zinc/05/29/36/323052936.db2.gz ZNNULBNAHXHCPG-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCC[N@H+](C)C(C)C ZINC000086068757 343609413 /nfs/dbraw/zinc/60/94/13/343609413.db2.gz FAIMKOJLFRWBJI-SNVBAGLBSA-N 2 0 215.341 0.298 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000577047252 365789367 /nfs/dbraw/zinc/78/93/67/365789367.db2.gz MZCVDMQWJTUQIA-HBNTYKKESA-N 2 0 225.336 0.195 20 0 BCADRP CN(C(=O)C[NH2+]CC1CC1)C1CC[NH2+]CC1 ZINC000125415702 343628789 /nfs/dbraw/zinc/62/87/89/343628789.db2.gz STYZMYYDDMGBIJ-UHFFFAOYSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000380226043 343695272 /nfs/dbraw/zinc/69/52/72/343695272.db2.gz KHOLBUFKBKWUMA-DTWKUNHWSA-N 2 0 201.314 0.213 20 0 BCADRP CCCN(C(=O)N[C@H](C)[C@H](C)[NH3+])[C@H]1CC[NH2+]C1 ZINC000418716971 192064187 /nfs/dbraw/zinc/06/41/87/192064187.db2.gz ZZJMJSOGJBZXMD-AXFHLTTASA-N 2 0 242.367 0.506 20 0 BCADRP c1cn(CC[N@@H+]2CCc3nc[nH]c3C2)cn1 ZINC000625437916 343740313 /nfs/dbraw/zinc/74/03/13/343740313.db2.gz VUWUMXQTLHMQIX-UHFFFAOYSA-N 2 0 217.276 0.665 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NC1(C[NH3+])CCCC1 ZINC000154361810 343714393 /nfs/dbraw/zinc/71/43/93/343714393.db2.gz UDYFRPBAKKSXLC-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000154664540 343744233 /nfs/dbraw/zinc/74/42/33/343744233.db2.gz IGFIVHYUHJRTMK-NEPJUHHUSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000576225404 343724708 /nfs/dbraw/zinc/72/47/08/343724708.db2.gz IXUAJRIGPGUOQQ-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C[NH2+]C1CC1 ZINC000154647232 343730500 /nfs/dbraw/zinc/73/05/00/343730500.db2.gz PFSYGRSLUYRXRX-JTQLQIEISA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000584231053 343775915 /nfs/dbraw/zinc/77/59/15/343775915.db2.gz VEWNFFSTHBFAQJ-QWRGUYRKSA-N 2 0 227.352 0.701 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C1([NH3+])CCC1 ZINC000584231078 343776131 /nfs/dbraw/zinc/77/61/31/343776131.db2.gz WQTXTEVWBOZFLF-RKDXNWHRSA-N 2 0 211.309 0.064 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000584231223 343776382 /nfs/dbraw/zinc/77/63/82/343776382.db2.gz HRJUWVHWFFBNCA-FYLLDIAZSA-N 2 0 227.352 0.413 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)o1 ZINC000621684894 343746389 /nfs/dbraw/zinc/74/63/89/343746389.db2.gz VGYQNTUVGUESKM-ZANVPECISA-N 2 0 249.314 0.692 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000418738169 192065175 /nfs/dbraw/zinc/06/51/75/192065175.db2.gz WUSAVLIAKPMMAO-BBBLOLIVSA-N 2 0 228.340 0.116 20 0 BCADRP C[NH+](C)CCNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418728984 192065512 /nfs/dbraw/zinc/06/55/12/192065512.db2.gz RJCLDUNUHTUXIP-MNOVXSKESA-N 2 0 242.367 0.365 20 0 BCADRP [NH3+]CCCCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000570449853 323059872 /nfs/dbraw/zinc/05/98/72/323059872.db2.gz GBONBDOZKBYRGO-SRVKXCTJSA-N 2 0 239.363 0.701 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C[C@@H](C)[NH3+] ZINC000309127450 346969996 /nfs/dbraw/zinc/96/99/96/346969996.db2.gz QHTWBFPKTCECTO-BDAKNGLRSA-N 2 0 201.314 0.357 20 0 BCADRP CO[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000577054531 343825833 /nfs/dbraw/zinc/82/58/33/343825833.db2.gz AAJWJSIVKJHWDT-LLVKDONJSA-N 2 0 235.287 0.202 20 0 BCADRP C[C@@H](C(=O)N(C)[C@@H](C[NH3+])C1CC1)C1C[NH2+]C1 ZINC000577061529 365799405 /nfs/dbraw/zinc/79/94/05/365799405.db2.gz UNYIEDWHALQUOR-KCJUWKMLSA-N 2 0 225.336 0.038 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000577178667 343907062 /nfs/dbraw/zinc/90/70/62/343907062.db2.gz LYXCZQOKCDDFIN-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C)Cc1nccn1C ZINC000069839559 343943799 /nfs/dbraw/zinc/94/37/99/343943799.db2.gz JPDXJXANWZVNLY-VIFPVBQESA-N 2 0 224.308 0.506 20 0 BCADRP CCOC[C@@H](O)C[NH2+]CC1CC[NH+](CC)CC1 ZINC000069278299 343935201 /nfs/dbraw/zinc/93/52/01/343935201.db2.gz IWDPKSVOOYXIHE-ZDUSSCGKSA-N 2 0 244.379 0.705 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000335895063 344045309 /nfs/dbraw/zinc/04/53/09/344045309.db2.gz CQKMHIDJVPBJIH-MNOVXSKESA-N 2 0 239.363 0.905 20 0 BCADRP CC(C)[NH+]1CCC([NH2+][C@H]2CC(=O)N(C)C2)CC1 ZINC000335558310 192068167 /nfs/dbraw/zinc/06/81/67/192068167.db2.gz AVFLDLVFBZWUHW-LBPRGKRZSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H](C(=O)NCC[N@@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000674245748 487535510 /nfs/dbraw/zinc/53/55/10/487535510.db2.gz WCVFAWGZOVLYJR-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP CC1(C)C[NH2+]CC[C@H](NC[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000634733390 344113265 /nfs/dbraw/zinc/11/32/65/344113265.db2.gz DSSHDOGYXJDOBF-DYEKYZERSA-N 2 0 237.391 0.964 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000641285331 362346140 /nfs/dbraw/zinc/34/61/40/362346140.db2.gz SLUOAGLUAHRJHG-PSASIEDQSA-N 2 0 228.340 0.150 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000641285335 362346191 /nfs/dbraw/zinc/34/61/91/362346191.db2.gz SLUOAGLUAHRJHG-SCZZXKLOSA-N 2 0 228.340 0.150 20 0 BCADRP C[C@@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@H](C)[NH3+] ZINC000634744015 344164497 /nfs/dbraw/zinc/16/44/97/344164497.db2.gz LISJGIXEQJODSM-DNIRFERGSA-N 2 0 239.363 0.428 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000130203717 344121926 /nfs/dbraw/zinc/12/19/26/344121926.db2.gz CHNAFPBWGWIAHM-QWRGUYRKSA-N 2 0 227.352 0.476 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000130580393 344149664 /nfs/dbraw/zinc/14/96/64/344149664.db2.gz CSDXONQYWIVISF-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000129084879 344209714 /nfs/dbraw/zinc/20/97/14/344209714.db2.gz YQELTNROUAZZPB-KXUCPTDWSA-N 2 0 213.325 0.310 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000129085511 344209802 /nfs/dbraw/zinc/20/98/02/344209802.db2.gz YQELTNROUAZZPB-IVZWLZJFSA-N 2 0 213.325 0.310 20 0 BCADRP CCC[C@H](O)C[NH2+]C1CCN(C)CC1 ZINC000129385108 344213158 /nfs/dbraw/zinc/21/31/58/344213158.db2.gz VBTFCZHDCHJSOB-NSHDSACASA-N 2 0 200.326 0.831 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCOCCO)CC[N@@H+]1C ZINC000129749251 344214431 /nfs/dbraw/zinc/21/44/31/344214431.db2.gz SXKWBEVMVLZQQE-WDEREUQCSA-N 2 0 216.325 0.068 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN(C)C2CC2)[C@@H](C)O1 ZINC000384894148 344216133 /nfs/dbraw/zinc/21/61/33/344216133.db2.gz LRIXFAKSUCRVMN-AAXDQBDMSA-N 2 0 242.363 0.597 20 0 BCADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC2)CN1C1CC1 ZINC000130311811 344220592 /nfs/dbraw/zinc/22/05/92/344220592.db2.gz UPNNWGHIUFTQFF-MXWKQRLJSA-N 2 0 210.321 0.990 20 0 BCADRP C[C@H](C[C@@H]1COCCN1)[NH2+]CC[C@H](C)[NH3+] ZINC000622044975 344229444 /nfs/dbraw/zinc/22/94/44/344229444.db2.gz YZDLLPWKMBKROS-HBNTYKKESA-N 2 0 215.341 0.080 20 0 BCADRP CC(C)([NH3+])CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634749975 344192122 /nfs/dbraw/zinc/19/21/22/344192122.db2.gz JXQVRXVTWWQKPZ-BETUJISGSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@H](COC)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000381215499 344206692 /nfs/dbraw/zinc/20/66/92/344206692.db2.gz FTKLRXANHPHARI-PWSUYJOCSA-N 2 0 230.352 0.456 20 0 BCADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C2([NH3+])CCC2)C1 ZINC000634761574 344253597 /nfs/dbraw/zinc/25/35/97/344253597.db2.gz DYBKWWPJUZTMTK-JTQLQIEISA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)[NH+](C)C ZINC000634761782 344254514 /nfs/dbraw/zinc/25/45/14/344254514.db2.gz IVSGOLRULMGXGF-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634769757 344283923 /nfs/dbraw/zinc/28/39/23/344283923.db2.gz NLPBFZPUCORWIY-FOGDFJRCSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@H](C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2)[NH+](C)C ZINC000634769842 344283984 /nfs/dbraw/zinc/28/39/84/344283984.db2.gz QBEGAZDLHGFAGM-WZRBSPASSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779082 344310891 /nfs/dbraw/zinc/31/08/91/344310891.db2.gz BZPOJOHTXZYJRN-XQQFMLRXSA-N 2 0 242.363 0.266 20 0 BCADRP [NH3+][C@H](Cc1ccccc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000131671228 344321967 /nfs/dbraw/zinc/32/19/67/344321967.db2.gz NIKCJPQFAQLWLJ-NWDGAFQWSA-N 2 0 233.315 0.035 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)c1ccc(C[NH3+])cc1 ZINC000131870726 344355154 /nfs/dbraw/zinc/35/51/54/344355154.db2.gz ZSOFHNSXRWXJBX-SNVBAGLBSA-N 2 0 235.331 0.731 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]([NH3+])CCSC ZINC000131873976 344356891 /nfs/dbraw/zinc/35/68/91/344356891.db2.gz NCXSMIAZDKMVBR-RKDXNWHRSA-N 2 0 233.381 0.039 20 0 BCADRP COC(=O)CCCC[N@H+](C)CC(C)(C)[NH3+] ZINC000600712044 344361685 /nfs/dbraw/zinc/36/16/85/344361685.db2.gz VSENQUMGPCYBTR-UHFFFAOYSA-N 2 0 216.325 0.999 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@@H](O)CN(C)CC)C[C@@H]1O ZINC000400090028 344302012 /nfs/dbraw/zinc/30/20/12/344302012.db2.gz SXZRDAQWMMZPGU-WOPDTQHZSA-N 2 0 230.352 0.002 20 0 BCADRP C[C@H](CCO)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000132505942 344302825 /nfs/dbraw/zinc/30/28/25/344302825.db2.gz ILSJFEYHCLVQJJ-GMTAPVOTSA-N 2 0 200.326 0.864 20 0 BCADRP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000582122920 344425361 /nfs/dbraw/zinc/42/53/61/344425361.db2.gz QRUSLXBAWZADBS-RWMBFGLXSA-N 3 0 223.364 0.527 20 0 BCADRP c1nc2c(c(N3CCC[NH2+]CC3)n1)OCCN2 ZINC000634807184 344392102 /nfs/dbraw/zinc/39/21/02/344392102.db2.gz AQQXFEVZFMKNHC-UHFFFAOYSA-N 2 0 235.291 0.081 20 0 BCADRP C[C@H]1CN(c2ncnc3c2OCCN3)CC[NH2+]1 ZINC000634807309 344392117 /nfs/dbraw/zinc/39/21/17/344392117.db2.gz GIUNENAGIMPKRJ-QMMMGPOBSA-N 2 0 235.291 0.079 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCOC2)CC1 ZINC000336759938 537845582 /nfs/dbraw/zinc/84/55/82/537845582.db2.gz JJUCTXQABKYYMO-LLVKDONJSA-N 2 0 228.336 0.212 20 0 BCADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000107368986 347050805 /nfs/dbraw/zinc/05/08/05/347050805.db2.gz CATKFOYMADXSHM-ZDUSSCGKSA-N 2 0 241.379 0.345 20 0 BCADRP CN(C(=O)C(C)(C)[NH3+])C1CC[NH+](C)CC1 ZINC000040920213 344410739 /nfs/dbraw/zinc/41/07/39/344410739.db2.gz VQLBNLDSSSRKCX-UHFFFAOYSA-N 2 0 213.325 0.276 20 0 BCADRP CC[NH+](CC)CCCNC(=O)C(C)(C)[NH3+] ZINC000040920232 344410881 /nfs/dbraw/zinc/41/08/81/344410881.db2.gz BQIIOHRFIOGICQ-UHFFFAOYSA-N 2 0 215.341 0.572 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)[NH3+] ZINC000041680094 344439623 /nfs/dbraw/zinc/43/96/23/344439623.db2.gz ULNXCUDPGFQXMN-DTWKUNHWSA-N 2 0 201.314 0.180 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)CC[NH2+]C ZINC000041680211 344439757 /nfs/dbraw/zinc/43/97/57/344439757.db2.gz FVTUBXVCSQXTKV-SNVBAGLBSA-N 2 0 215.341 0.442 20 0 BCADRP COC(=O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042394663 344452414 /nfs/dbraw/zinc/45/24/14/344452414.db2.gz SNCOUCCNZRKKNQ-UHFFFAOYSA-N 2 0 228.336 0.823 20 0 BCADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C[NH3+] ZINC000236910345 344455358 /nfs/dbraw/zinc/45/53/58/344455358.db2.gz SHSFJHMIJPQDPP-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP CSC[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000127447033 344477161 /nfs/dbraw/zinc/47/71/61/344477161.db2.gz MUWNALJMKOMTBH-QWRGUYRKSA-N 2 0 232.393 0.784 20 0 BCADRP CN(Cc1nccn1C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000037497943 344507539 /nfs/dbraw/zinc/50/75/39/344507539.db2.gz QYTYIEKXCDLEOG-VIFPVBQESA-N 2 0 222.292 0.131 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000036999032 344485228 /nfs/dbraw/zinc/48/52/28/344485228.db2.gz QQWSFKHPAOXHMA-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH2+]C ZINC000037477586 344508702 /nfs/dbraw/zinc/50/87/02/344508702.db2.gz NNJDFEGUYJDFCK-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[NH+]1CCC(NC(=O)CC2CC[NH2+]CC2)CC1 ZINC000037267781 344497001 /nfs/dbraw/zinc/49/70/01/344497001.db2.gz AMCYLKGJGZAVCL-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000641413790 362404709 /nfs/dbraw/zinc/40/47/09/362404709.db2.gz PJTKPSJTFQZHQU-JTQLQIEISA-N 2 0 240.351 0.213 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000672754380 488265631 /nfs/dbraw/zinc/26/56/31/488265631.db2.gz NTLQBRRBFBQECZ-QWRGUYRKSA-N 2 0 242.367 0.330 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000044808280 344548522 /nfs/dbraw/zinc/54/85/22/344548522.db2.gz GRAINDIZMCFROX-QMMMGPOBSA-N 2 0 201.314 0.038 20 0 BCADRP CN(C(=O)C[NH2+]CC1CC1)C1CC[NH+](C)CC1 ZINC000037611954 344552793 /nfs/dbraw/zinc/55/27/93/344552793.db2.gz OBYYGQIIMLIAND-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000037643493 344555412 /nfs/dbraw/zinc/55/54/12/344555412.db2.gz WLVYKVOWVDVWSN-YPMHNXCESA-N 2 0 241.379 0.962 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000037643491 344555581 /nfs/dbraw/zinc/55/55/81/344555581.db2.gz WLVYKVOWVDVWSN-AAEUAGOBSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000037825040 344593536 /nfs/dbraw/zinc/59/35/36/344593536.db2.gz WWFTYRWZFJHNBU-JTQLQIEISA-N 2 0 227.352 0.666 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000309834005 259377948 /nfs/dbraw/zinc/37/79/48/259377948.db2.gz ZLNREVROHMXUPI-SGIHWFKDSA-N 2 0 213.325 0.226 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)CC[NH3+] ZINC000045708791 344577772 /nfs/dbraw/zinc/57/77/72/344577772.db2.gz VTFGJUXBVPWFEV-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H](C)[NH3+] ZINC000641423904 362408239 /nfs/dbraw/zinc/40/82/39/362408239.db2.gz FNDZSCZMCNJWNJ-VHSXEESVSA-N 2 0 230.356 0.348 20 0 BCADRP C[C@H]([NH3+])CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000641426984 362410716 /nfs/dbraw/zinc/41/07/16/362410716.db2.gz WZZWSMVJFVTOQT-DCAQKATOSA-N 2 0 242.367 0.398 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000309784539 259377563 /nfs/dbraw/zinc/37/75/63/259377563.db2.gz NQXXUNHFMVKDMG-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](C)[NH3+] ZINC000641427527 362412056 /nfs/dbraw/zinc/41/20/56/362412056.db2.gz ZOOHFCWZSYFQJU-ZJUUUORDSA-N 2 0 228.340 0.069 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H](C)[NH3+])C[C@H]1C ZINC000641493727 362459634 /nfs/dbraw/zinc/45/96/34/362459634.db2.gz PLXWGTNFYIMWET-MXWKQRLJSA-N 2 0 242.367 0.458 20 0 BCADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H](C)[NH3+])C[C@@H]1C ZINC000641493728 362460105 /nfs/dbraw/zinc/46/01/05/362460105.db2.gz PLXWGTNFYIMWET-VWYCJHECSA-N 2 0 242.367 0.458 20 0 BCADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@H](C)[NH3+] ZINC000641494131 362460519 /nfs/dbraw/zinc/46/05/19/362460519.db2.gz SPJVMDZREMXOGO-NSHDSACASA-N 2 0 244.383 0.707 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000577867798 344639708 /nfs/dbraw/zinc/63/97/08/344639708.db2.gz ADMLFSCBNCVFTH-DCAQKATOSA-N 2 0 240.351 0.130 20 0 BCADRP CC[NH+](CC)CC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000152625045 344648897 /nfs/dbraw/zinc/64/88/97/344648897.db2.gz JCVIAWWPSCYFPV-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578191568 344723665 /nfs/dbraw/zinc/72/36/65/344723665.db2.gz YCIPPMJNKXGECU-GMTAPVOTSA-N 2 0 227.352 0.474 20 0 BCADRP CCSCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000158572592 344682843 /nfs/dbraw/zinc/68/28/43/344682843.db2.gz XVYVZSYXPHVJAE-UHFFFAOYSA-N 2 0 231.409 0.577 20 0 BCADRP CN(CC[NH3+])C(=O)c1sccc1C[NH+](C)C ZINC000577066383 365802275 /nfs/dbraw/zinc/80/22/75/365802275.db2.gz RGOUKHNGNNSMBC-UHFFFAOYSA-N 2 0 241.360 0.840 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccco2)CC1 ZINC000077450051 344824222 /nfs/dbraw/zinc/82/42/22/344824222.db2.gz POJKPVCUXNRYNX-UHFFFAOYSA-N 2 0 224.304 0.826 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000583379795 344854715 /nfs/dbraw/zinc/85/47/15/344854715.db2.gz QPAGMAVSCORYRC-JBLDHEPKSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000583380315 344855413 /nfs/dbraw/zinc/85/54/13/344855413.db2.gz ZYHOFJSIRWXSDY-QCNOEVLYSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC(=O)N2)CC[N@@H+]1C ZINC000433088902 537871099 /nfs/dbraw/zinc/87/10/99/537871099.db2.gz DSCHOTQXZYPWIS-WOPDTQHZSA-N 2 0 239.363 0.727 20 0 BCADRP CC[NH2+]CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000518775790 323081510 /nfs/dbraw/zinc/08/15/10/323081510.db2.gz VRPIJSJJAWHRKQ-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1CN(C(=O)CC[C@H]2CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000579120364 344940035 /nfs/dbraw/zinc/94/00/35/344940035.db2.gz ABGWTUFGJLDGOP-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP CC1(C)C[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000044368840 345038149 /nfs/dbraw/zinc/03/81/49/345038149.db2.gz QMWXJLUYIVYGPI-QWRGUYRKSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CC[NH2+]C1CC1 ZINC000569623358 345039831 /nfs/dbraw/zinc/03/98/31/345039831.db2.gz MNOJWWFPZHRZIV-JQWIXIFHSA-N 2 0 239.363 0.857 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000579614064 345096680 /nfs/dbraw/zinc/09/66/80/345096680.db2.gz NXDZQFVVQFKWCS-NSHDSACASA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000155773141 345101873 /nfs/dbraw/zinc/10/18/73/345101873.db2.gz QUKIYEDIFUYKGJ-NWDGAFQWSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000155772912 345101946 /nfs/dbraw/zinc/10/19/46/345101946.db2.gz QUKIYEDIFUYKGJ-VXGBXAGGSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]CC1(CN2CCC3(CC[NH2+]3)CC2)CC1 ZINC000634996590 345189627 /nfs/dbraw/zinc/18/96/27/345189627.db2.gz OOAVHULYXRFQCZ-UHFFFAOYSA-N 2 0 209.337 0.553 20 0 BCADRP C[C@]1(C(=O)NCC[C@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000579711443 345167894 /nfs/dbraw/zinc/16/78/94/345167894.db2.gz ABWBOJJIYMQIQG-ZYHUDNBSSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634990829 345173594 /nfs/dbraw/zinc/17/35/94/345173594.db2.gz FEQCKHWVNPYOSQ-CQLXCSJHSA-N 2 0 223.364 0.798 20 0 BCADRP C[C@@H]([NH3+])C1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991212 345174039 /nfs/dbraw/zinc/17/40/39/345174039.db2.gz UUYGRSVOKFRWFW-XSRFYTQQSA-N 2 0 223.364 0.798 20 0 BCADRP C[NH2+]C[C@@H]1CCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634991161 345174084 /nfs/dbraw/zinc/17/40/84/345174084.db2.gz SALRHDCKCCIEKF-UNXYVOJBSA-N 2 0 209.337 0.280 20 0 BCADRP C[NH2+]C1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991049 345174124 /nfs/dbraw/zinc/17/41/24/345174124.db2.gz OARGZPXWVZCWEV-UHFFFAOYSA-N 2 0 209.337 0.422 20 0 BCADRP C(N(C1CC1)[C@H]1CC[NH2+]C1)C12CC(C1)C[NH2+]2 ZINC000634991428 345177845 /nfs/dbraw/zinc/17/78/45/345177845.db2.gz DCYFIILJZDUIKY-YDGIUTOCSA-N 2 0 221.348 0.565 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C[C@H](C[NH3+])C(C)C ZINC000634991652 345178472 /nfs/dbraw/zinc/17/84/72/345178472.db2.gz NBGZYTNPLPXWPF-RYUDHWBXSA-N 2 0 213.369 0.901 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1C[C@H](C[NH3+])C[C@H]1C ZINC000634991893 345179194 /nfs/dbraw/zinc/17/91/94/345179194.db2.gz VRHBXWGRQHSTFT-GRYCIOLGSA-N 2 0 213.369 0.886 20 0 BCADRP C(C1CC1)[NH+]1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634992036 345179683 /nfs/dbraw/zinc/17/96/83/345179683.db2.gz ALCYYYZFSPQRCG-UHFFFAOYSA-N 2 0 235.375 0.766 20 0 BCADRP CCC([NH3+])(CC)CNCC12CC(C1)C[NH2+]2 ZINC000634994732 345182721 /nfs/dbraw/zinc/18/27/21/345182721.db2.gz LKLKHBPMMZXAFI-UHFFFAOYSA-N 2 0 211.353 0.846 20 0 BCADRP C[C@@H]1[C@H](C)[N@H+](C)CCN1CC12CC(C1)C[NH2+]2 ZINC000634994674 345182759 /nfs/dbraw/zinc/18/27/59/345182759.db2.gz KDKNRBPSYMVLAW-ZFDZMSFRSA-N 2 0 223.364 0.763 20 0 BCADRP C(N1CCC2(CC[NH2+]C2)CC1)C12CC(C1)C[NH2+]2 ZINC000634995116 345183325 /nfs/dbraw/zinc/18/33/25/345183325.db2.gz VPJLDPQJHFWUIX-UHFFFAOYSA-N 2 0 235.375 0.814 20 0 BCADRP CC(C)[C@@H](C[NH3+])C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000634995060 345183800 /nfs/dbraw/zinc/18/38/00/345183800.db2.gz TXPVZFDZEUKJGB-RYUDHWBXSA-N 3 0 213.369 0.807 20 0 BCADRP OCC[C@H]1CCCN1CC12CC(C1)C[NH2+]2 ZINC000634996871 345184260 /nfs/dbraw/zinc/18/42/60/345184260.db2.gz XPCMNKKZNXNOJD-MOENNCHZSA-N 2 0 210.321 0.585 20 0 BCADRP COC[C@]1(CNC[C@@H](C[NH3+])C(C)C)CCC[NH2+]1 ZINC000634995720 345185174 /nfs/dbraw/zinc/18/51/74/345185174.db2.gz NBTPBFNRNCDZEN-CHWSQXEVSA-N 2 0 243.395 0.576 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000634995458 345185437 /nfs/dbraw/zinc/18/54/37/345185437.db2.gz FNCDNGDVZCZVCP-UZEXVOJHSA-N 2 0 209.337 0.469 20 0 BCADRP CC(C)[C@H](C[NH3+])CN[C@H]1CC[NH2+][C@H](C)C1 ZINC000634995746 345185460 /nfs/dbraw/zinc/18/54/60/345185460.db2.gz NRJJWCLRTCHLGZ-UTUOFQBUSA-N 2 0 213.369 0.947 20 0 BCADRP CC(C)[C@@H](C[NH3+])CNCCC[NH2+]C1CC1 ZINC000634996023 345185795 /nfs/dbraw/zinc/18/57/95/345185795.db2.gz WRJQOCMCLHTGBI-NSHDSACASA-N 2 0 213.369 0.949 20 0 BCADRP CC1(NCC23CC(C2)C[NH2+]3)CC[NH2+]CC1 ZINC000634995975 345186177 /nfs/dbraw/zinc/18/61/77/345186177.db2.gz VJLMHHIHWYLUDV-UHFFFAOYSA-N 2 0 209.337 0.470 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000634995814 345186256 /nfs/dbraw/zinc/18/62/56/345186256.db2.gz PNJDBKHBOFUSHK-UZEXVOJHSA-N 2 0 209.337 0.326 20 0 BCADRP C(NCC12CC(C1)C[NH2+]2)C12CC(C1)C[NH2+]2 ZINC000634996131 345186822 /nfs/dbraw/zinc/18/68/22/345186822.db2.gz AAINWPCBTXEVEA-UHFFFAOYSA-N 2 0 207.321 0.080 20 0 BCADRP O=C1CC[C@H]2CN(CC34CC(C3)C[NH2+]4)CC[C@H]2N1 ZINC000634996910 345186946 /nfs/dbraw/zinc/18/69/46/345186946.db2.gz YRGXGTVMFIDQPX-MRFPXMQZSA-N 2 0 249.358 0.339 20 0 BCADRP [NH3+]CC1(C[NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000634996114 345186958 /nfs/dbraw/zinc/18/69/58/345186958.db2.gz ZORPTKVMOWTILO-NSHDSACASA-N 3 0 211.353 0.847 20 0 BCADRP CC(C)N(C)CC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634958473 345132404 /nfs/dbraw/zinc/13/24/04/345132404.db2.gz RBVWFLDBYXGVNB-NSHDSACASA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H](C[NH2+][C@H]1CCNC(=O)CC1)N(C)C1CC1 ZINC000634959795 345133013 /nfs/dbraw/zinc/13/30/13/345133013.db2.gz BBWIBZCZTIWODA-WDEREUQCSA-N 2 0 239.363 0.727 20 0 BCADRP CCO[C@@H]1CN(CC23CC(C2)C[NH2+]3)C[C@H]1C[NH3+] ZINC000634996224 345187516 /nfs/dbraw/zinc/18/75/16/345187516.db2.gz DIGOREXYOVYQLV-QZQSVVMZSA-N 2 0 239.363 0.034 20 0 BCADRP C[C@@H]1CCN(CC23CC(C2)C[NH2+]3)C[C@H]1C[NH3+] ZINC000634996416 345187655 /nfs/dbraw/zinc/18/76/55/345187655.db2.gz JEHPQETZDLBUPS-CQLXCSJHSA-N 2 0 223.364 0.655 20 0 BCADRP c1cn(C[C@H]2CCN(CC34CC(C3)C[NH2+]4)C2)nn1 ZINC000634996523 345188372 /nfs/dbraw/zinc/18/83/72/345188372.db2.gz MPIXKWPJBLVZTF-HIFPTAJRSA-N 2 0 247.346 0.352 20 0 BCADRP C[NH+](C)CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635068120 345236639 /nfs/dbraw/zinc/23/66/39/345236639.db2.gz GBBIVJSMHQMLNO-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP C[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635068525 345237294 /nfs/dbraw/zinc/23/72/94/345237294.db2.gz JSWJBPLMNXSAHP-JTQLQIEISA-N 2 0 213.325 0.006 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000157227125 345250250 /nfs/dbraw/zinc/25/02/50/345250250.db2.gz QJLOQQNVCUDILT-NSHDSACASA-N 2 0 241.379 0.690 20 0 BCADRP C(N1CC[C@H]2CC[NH2+][C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634993891 345192210 /nfs/dbraw/zinc/19/22/10/345192210.db2.gz JGXLTPREXWPVGW-QBHFIFKDSA-N 2 0 221.348 0.422 20 0 BCADRP C[C@@H]1CCN(CC23CC(C2)C[NH2+]3)[C@@H]1CO ZINC000634994101 345192618 /nfs/dbraw/zinc/19/26/18/345192618.db2.gz QLDYXIITNRMYNA-QTAHKJALSA-N 2 0 210.321 0.441 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1CC12CC(C1)C[NH2+]2 ZINC000634994214 345192763 /nfs/dbraw/zinc/19/27/63/345192763.db2.gz VWOFQFXFBXWPOL-OKZRHMCRSA-N 2 0 223.364 0.763 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(CC13CC(C1)C[NH2+]3)C2 ZINC000634996980 345193805 /nfs/dbraw/zinc/19/38/05/345193805.db2.gz AOFFZLBLRMCMCJ-KPFVRQRISA-N 2 0 221.348 0.552 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000634997691 345194235 /nfs/dbraw/zinc/19/42/35/345194235.db2.gz QSMFXSDNQITEAW-UPJWGTAASA-N 2 0 223.364 0.799 20 0 BCADRP [NH3+]CC1(CN2CCCCC[C@H]([NH3+])C2)CC1 ZINC000634997784 345195634 /nfs/dbraw/zinc/19/56/34/345195634.db2.gz SOEAAZZKBZSCKZ-NSHDSACASA-N 2 0 211.353 0.929 20 0 BCADRP CC(C)[C@@H](C[NH3+])CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000634997551 345196268 /nfs/dbraw/zinc/19/62/68/345196268.db2.gz NSIOOEQDSOZVNU-HBNTYKKESA-N 2 0 217.332 0.588 20 0 BCADRP CC(C)[C@H](C[NH3+])CN1CCC([NH2+]CCO)CC1 ZINC000635002289 345203827 /nfs/dbraw/zinc/20/38/27/345203827.db2.gz NHYQFASEKMVMMT-GFCCVEGCSA-N 2 0 243.395 0.264 20 0 BCADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000635003164 345205508 /nfs/dbraw/zinc/20/55/08/345205508.db2.gz AFHFFIILBQQHJO-DDHJBXDOSA-N 3 0 211.353 0.973 20 0 BCADRP CCC[C@H](CCO)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000635005309 345209183 /nfs/dbraw/zinc/20/91/83/345209183.db2.gz UFSORBLVWFQXEW-MWLCHTKSSA-N 2 0 200.326 0.735 20 0 BCADRP CCN(C)C[C@H](O)C[N@H+](C)CC(O)(CC)CC ZINC000626111837 345276671 /nfs/dbraw/zinc/27/66/71/345276671.db2.gz BYXUYOABGIXQDA-LBPRGKRZSA-N 2 0 246.395 0.782 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000449090278 201806564 /nfs/dbraw/zinc/80/65/64/201806564.db2.gz GIIVQGDANGADDG-QJPTWQEYSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@H](C(=O)NCC1([NH+](C)C)CCCC1)[NH+](C)C ZINC000635337313 345312563 /nfs/dbraw/zinc/31/25/63/345312563.db2.gz GUTIBHCBZNHHKR-LLVKDONJSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)[NH+](C)C ZINC000635383845 345335791 /nfs/dbraw/zinc/33/57/91/345335791.db2.gz ZYKRNFSAAPFXRN-MWLCHTKSSA-N 2 0 227.352 0.393 20 0 BCADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635400418 345347067 /nfs/dbraw/zinc/34/70/67/345347067.db2.gz VQUXPHXRSRJQSG-NSHDSACASA-N 2 0 239.363 0.396 20 0 BCADRP C[NH+](C)CC1(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000635422601 345358580 /nfs/dbraw/zinc/35/85/80/345358580.db2.gz YCTUTSSVJGFZDI-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)[C@H](C(=O)NCC[NH3+])[NH+]1CCCCC1 ZINC000158690740 345364090 /nfs/dbraw/zinc/36/40/90/345364090.db2.gz WSNCIXZNQXKFEW-LLVKDONJSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](C(=O)N1CCC[C@H]1C[NH+](C)C)[NH+](C)C ZINC000635479670 345389143 /nfs/dbraw/zinc/38/91/43/345389143.db2.gz JRKCCGBXXKDLLL-MNOVXSKESA-N 2 0 227.352 0.489 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449115407 201809879 /nfs/dbraw/zinc/80/98/79/201809879.db2.gz HMZQLHBUCXHWLV-VWYCJHECSA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)[NH+](C)C)C1 ZINC000635442072 345371335 /nfs/dbraw/zinc/37/13/35/345371335.db2.gz MGNQAMUHMVOTNS-NEPJUHHUSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@H](C(=O)NCCC1CC[NH+](C)CC1)[NH+](C)C ZINC000635464189 345381798 /nfs/dbraw/zinc/38/17/98/345381798.db2.gz XALDLADPKXYECX-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000159106981 345409956 /nfs/dbraw/zinc/40/99/56/345409956.db2.gz QUNPQWYMFJZIOM-PWSUYJOCSA-N 2 0 243.326 0.146 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000494573459 323088664 /nfs/dbraw/zinc/08/86/64/323088664.db2.gz FZKVEFNSERDCMN-GMTAPVOTSA-N 2 0 227.352 0.556 20 0 BCADRP CC[NH+](CC)CCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000635525663 345418962 /nfs/dbraw/zinc/41/89/62/345418962.db2.gz JIJPMNFVQMWKKP-QWRGUYRKSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCC([NH3+])CC1 ZINC000575121252 345420131 /nfs/dbraw/zinc/42/01/31/345420131.db2.gz FNCYCSZMOWGCJB-RKDXNWHRSA-N 2 0 228.340 0.245 20 0 BCADRP COC[C@H]([NH3+])C(=O)NCC[NH+](C(C)C)C(C)C ZINC000159546436 345442196 /nfs/dbraw/zinc/44/21/96/345442196.db2.gz PHKXOSFMRJXBOD-NSHDSACASA-N 2 0 245.367 0.195 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000381339073 345396044 /nfs/dbraw/zinc/39/60/44/345396044.db2.gz WXGYTVHGTISKSD-BBBLOLIVSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000090849872 345577577 /nfs/dbraw/zinc/57/75/77/345577577.db2.gz ILYFJOMGAOEZAM-FDYHWXHSSA-N 2 0 242.363 0.456 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NC1CC[NH2+]CC1 ZINC000261530259 534998590 /nfs/dbraw/zinc/99/85/90/534998590.db2.gz CCLFHBPIRWCKJD-UHFFFAOYSA-N 2 0 213.325 0.195 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000262595738 534997496 /nfs/dbraw/zinc/99/74/96/534997496.db2.gz UXTCTTJQLACCDZ-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000563086448 323090565 /nfs/dbraw/zinc/09/05/65/323090565.db2.gz JTWVRLOVSCSACN-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)C(C)(C)C[NH3+])CC1 ZINC000137411463 345625893 /nfs/dbraw/zinc/62/58/93/345625893.db2.gz USVXPFQSTYNMLL-UHFFFAOYSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC(C[NH3+])CC1 ZINC000563107123 323092750 /nfs/dbraw/zinc/09/27/50/323092750.db2.gz ZRGVHVURRDKLJU-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000641718059 362639475 /nfs/dbraw/zinc/63/94/75/362639475.db2.gz NNIKWTTTZYCMFJ-MXWKQRLJSA-N 2 0 240.351 0.130 20 0 BCADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[NH2+]CC1 ZINC000213860746 345741191 /nfs/dbraw/zinc/74/11/91/345741191.db2.gz USQGVVPRVRYPOE-UHFFFAOYSA-N 2 0 230.271 0.380 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635557467 345717461 /nfs/dbraw/zinc/71/74/61/345717461.db2.gz ANFGOXOQLSETKH-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP CC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000148438524 345719233 /nfs/dbraw/zinc/71/92/33/345719233.db2.gz LVPJBWMOIHGRTE-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP CN(CC[NH+](C)C)C(=O)C1CC[NH+](C)CC1 ZINC000206533588 345734478 /nfs/dbraw/zinc/73/44/78/345734478.db2.gz VKKIRCYXUXGHKV-UHFFFAOYSA-N 2 0 227.352 0.348 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)[NH+](C)C ZINC000635558447 345735862 /nfs/dbraw/zinc/73/58/62/345735862.db2.gz KZGDYDBNVILNQU-GHMZBOCLSA-N 2 0 229.368 0.783 20 0 BCADRP CC[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000159979467 345768026 /nfs/dbraw/zinc/76/80/26/345768026.db2.gz PSWIXNRICDHKHI-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)C2([NH3+])CC2)cc1 ZINC000381396814 345799942 /nfs/dbraw/zinc/79/99/42/345799942.db2.gz OZKAJGJLHIRJQA-UHFFFAOYSA-N 2 0 205.261 0.575 20 0 BCADRP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000635601380 345888004 /nfs/dbraw/zinc/88/80/04/345888004.db2.gz ATOXWWMCQZGJID-IJLUTSLNSA-N 2 0 241.379 0.735 20 0 BCADRP [NH3+]CCOCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000567894515 323097605 /nfs/dbraw/zinc/09/76/05/323097605.db2.gz ABCQPRMVRPKTRS-GFCCVEGCSA-N 2 0 242.363 0.901 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)C[NH2+]C1CC1 ZINC000381444926 345917021 /nfs/dbraw/zinc/91/70/21/345917021.db2.gz ASZFDFRFTNEFOG-NSHDSACASA-N 2 0 213.325 0.228 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178844638 345918737 /nfs/dbraw/zinc/91/87/37/345918737.db2.gz BDHHFYYLEVBRQW-ZJUUUORDSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000381455648 345936406 /nfs/dbraw/zinc/93/64/06/345936406.db2.gz JIWSAHZARPJILL-UWVGGRQHSA-N 2 0 213.325 0.230 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCCC[NH+](C)C ZINC000449310947 201865537 /nfs/dbraw/zinc/86/55/37/201865537.db2.gz JMNMJFCYHQKNJT-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)C1(C[NH+](C)C)CC1 ZINC000635768132 346058985 /nfs/dbraw/zinc/05/89/85/346058985.db2.gz BPMAUQWVOSFGIQ-UHFFFAOYSA-N 2 0 241.379 0.738 20 0 BCADRP CC1=CC[N@H+](CCNC(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635801997 346067943 /nfs/dbraw/zinc/06/79/43/346067943.db2.gz PPIKKLVATCLMST-GFCCVEGCSA-N 2 0 239.363 0.705 20 0 BCADRP C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+](C)C ZINC000635993789 346143931 /nfs/dbraw/zinc/14/39/31/346143931.db2.gz ASPTWJWUYGXOGA-YEJSDXFRSA-N 2 0 239.363 0.678 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH+](C)C ZINC000635926320 346117056 /nfs/dbraw/zinc/11/70/56/346117056.db2.gz PNLQVFDCHBAVNV-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)c1ncc[nH]1 ZINC000635952210 346121869 /nfs/dbraw/zinc/12/18/69/346121869.db2.gz OLRKEJPAQSJRQH-HTQZYQBOSA-N 2 0 210.281 0.537 20 0 BCADRP C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ncc[nH]1 ZINC000635952070 346121949 /nfs/dbraw/zinc/12/19/49/346121949.db2.gz MELIEULAMIGXCR-NXEZZACHSA-N 2 0 236.319 0.929 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)[NH+](C)C ZINC000635956506 346131689 /nfs/dbraw/zinc/13/16/89/346131689.db2.gz YLYFLQNXPHPMIS-VWYCJHECSA-N 2 0 225.336 0.099 20 0 BCADRP C[C@H](C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)[NH+](C)C ZINC000635956499 346131795 /nfs/dbraw/zinc/13/17/95/346131795.db2.gz YLYFLQNXPHPMIS-GMTAPVOTSA-N 2 0 225.336 0.099 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)CC[C@H](C)[NH3+] ZINC000193170571 346144747 /nfs/dbraw/zinc/14/47/47/346144747.db2.gz MSBLXTAKDFAXKD-IUCAKERBSA-N 2 0 201.314 0.086 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000193170122 346144784 /nfs/dbraw/zinc/14/47/84/346144784.db2.gz IUTYAFOUNDXNFS-VHSXEESVSA-N 2 0 213.325 0.454 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)CC[C@@H](C)[NH3+] ZINC000193170617 346144818 /nfs/dbraw/zinc/14/48/18/346144818.db2.gz MSBLXTAKDFAXKD-RKDXNWHRSA-N 2 0 201.314 0.086 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000636011956 346153289 /nfs/dbraw/zinc/15/32/89/346153289.db2.gz QNDJXWKHEWYULO-NEPJUHHUSA-N 2 0 241.379 0.878 20 0 BCADRP CCOC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000069277606 349943811 /nfs/dbraw/zinc/94/38/11/349943811.db2.gz UKEHDSLNGPQDTH-WCQYABFASA-N 2 0 242.363 0.458 20 0 BCADRP CN(CCCC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000673840797 488309350 /nfs/dbraw/zinc/30/93/50/488309350.db2.gz OAXZMEFEUFYMHE-GFCCVEGCSA-N 2 0 241.379 0.881 20 0 BCADRP C[C@]1(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[NH2+]C1 ZINC000152685620 346266873 /nfs/dbraw/zinc/26/68/73/346266873.db2.gz FUDQYJSAUNELJO-AAEUAGOBSA-N 2 0 239.363 0.492 20 0 BCADRP CC[C@H](C(=O)NCC1([NH3+])CCC1)[NH+](C)C ZINC000390673397 346297599 /nfs/dbraw/zinc/29/75/99/346297599.db2.gz WEUUTPTVIBLJQL-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C[C@H]1CCCC[NH2+]C1 ZINC000669378361 537968659 /nfs/dbraw/zinc/96/86/59/537968659.db2.gz BJIPWWDJKGWMRM-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP CC[NH+](CC)CC[C@@H](CO)[NH2+]C1CCOCC1 ZINC000641771175 362708471 /nfs/dbraw/zinc/70/84/71/362708471.db2.gz DGFQRNYHJDFURT-ZDUSSCGKSA-N 2 0 244.379 0.848 20 0 BCADRP CC[NH+](CC)CCNC(=O)CCCC[NH3+] ZINC000069732615 349954638 /nfs/dbraw/zinc/95/46/38/349954638.db2.gz LGFRTUQXMWVGKY-UHFFFAOYSA-N 2 0 215.341 0.573 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)CCCC[NH3+] ZINC000069732649 349954698 /nfs/dbraw/zinc/95/46/98/349954698.db2.gz QYMDWJDGHJHFNZ-UHFFFAOYSA-N 2 0 229.368 0.819 20 0 BCADRP C[C@H](CCNC(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000636171086 346343992 /nfs/dbraw/zinc/34/39/92/346343992.db2.gz FJJOURBZYJRDQI-NXEZZACHSA-N 2 0 215.341 0.393 20 0 BCADRP C[C@H](CCNC(=O)C1(C[NH+](C)C)CC1)[NH+](C)C ZINC000636171056 346344496 /nfs/dbraw/zinc/34/44/96/346344496.db2.gz DWKWGTPCYINLKD-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP [NH3+]CCCCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000069734023 349956399 /nfs/dbraw/zinc/95/63/99/349956399.db2.gz HLMFHPHRIWTKHC-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP CCN(C(=O)CN(C)C)[C@H]1CC[N@H+](CC)C1 ZINC000617929149 346379912 /nfs/dbraw/zinc/37/99/12/346379912.db2.gz CESFFBJTPGDDBU-NSHDSACASA-N 2 0 227.352 0.491 20 0 BCADRP C[N@H+](CCNC(=O)CCCC[NH3+])C1CC1 ZINC000069734314 349957043 /nfs/dbraw/zinc/95/70/43/349957043.db2.gz QDNHORZPAWASKI-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP Cc1cccc(C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000042435760 179066724 /nfs/dbraw/zinc/06/67/24/179066724.db2.gz JXSBJTFXGIADQB-GFCCVEGCSA-N 2 0 208.305 0.746 20 0 BCADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH2+]C)C1 ZINC000563411371 323124658 /nfs/dbraw/zinc/12/46/58/323124658.db2.gz FCOAUGRUUCSAST-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)CC[C@@H](C)[NH3+] ZINC000380030655 365814952 /nfs/dbraw/zinc/81/49/52/365814952.db2.gz QDYWVUPGOVJXPB-RKDXNWHRSA-N 2 0 201.314 0.228 20 0 BCADRP CC(C)CNC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000070188103 349965386 /nfs/dbraw/zinc/96/53/86/349965386.db2.gz NYLQUJHQODZQDG-UHFFFAOYSA-N 2 0 241.379 0.819 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000161017354 346472556 /nfs/dbraw/zinc/47/25/56/346472556.db2.gz XLYZZWKODPQHEQ-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000574974727 346477923 /nfs/dbraw/zinc/47/79/23/346477923.db2.gz NHIDJRLPGMCCBH-YTWAJWBKSA-N 2 0 225.336 0.099 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCc1cncn1C ZINC000641798161 362741608 /nfs/dbraw/zinc/74/16/08/362741608.db2.gz LWOKWSJFLIHHSB-GHMZBOCLSA-N 2 0 222.336 0.632 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000580072524 346508865 /nfs/dbraw/zinc/50/88/65/346508865.db2.gz MNNMJEABXUIPDH-GMTAPVOTSA-N 2 0 225.336 0.385 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000580072666 346509009 /nfs/dbraw/zinc/50/90/09/346509009.db2.gz DKADLFFVQYCVNG-GARJFASQSA-N 2 0 225.336 0.052 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000580076169 346513371 /nfs/dbraw/zinc/51/33/71/346513371.db2.gz VMIQDQLNCBEUDH-GARJFASQSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000580076170 346513519 /nfs/dbraw/zinc/51/35/19/346513519.db2.gz VMIQDQLNCBEUDH-GMTAPVOTSA-N 2 0 225.336 0.372 20 0 BCADRP C1C[NH2+][C@H]([C@H]2CCC[C@@H]2N[C@H]2CC[NH2+]C2)C1 ZINC000580095866 346524470 /nfs/dbraw/zinc/52/44/70/346524470.db2.gz JZEJVQJIZCEFJS-RNJOBUHISA-N 2 0 223.364 0.859 20 0 BCADRP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)CS(C)(=O)=O ZINC000641801365 362755115 /nfs/dbraw/zinc/75/51/15/362755115.db2.gz BQWMXJSYWOTZJQ-KXUCPTDWSA-N 2 0 248.392 0.383 20 0 BCADRP CCN(C)C(=O)CC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641802289 362758445 /nfs/dbraw/zinc/75/84/45/362758445.db2.gz ITXQZIRXHGXMOK-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000249753052 346499273 /nfs/dbraw/zinc/49/92/73/346499273.db2.gz RZYGVPRTGOOPLS-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H]1CC[C@H](C[NH3+])N(C[C@H]2C[NH2+]CCO2)[C@H]1C ZINC000641809549 362765997 /nfs/dbraw/zinc/76/59/97/362765997.db2.gz RGHYMLKHZGVVMR-YVECIDJPSA-N 2 0 241.379 0.423 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1cncn1C ZINC000641818001 362768831 /nfs/dbraw/zinc/76/88/31/362768831.db2.gz BMONLBGMFNDHLT-GHMZBOCLSA-N 2 0 222.336 0.774 20 0 BCADRP C[C@@H](C[NH3+])C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000563529973 323129149 /nfs/dbraw/zinc/12/91/49/323129149.db2.gz HNXRIZOXKIYFSU-VIFPVBQESA-N 2 0 237.303 0.557 20 0 BCADRP COC[C@@H](C)C[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000580169127 346591901 /nfs/dbraw/zinc/59/19/01/346591901.db2.gz XTYPXYDLPDBOSD-LBPRGKRZSA-N 2 0 244.379 0.875 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2CC[C@H]([NH2+]C3CC3)C2)co1 ZINC000580194074 346648936 /nfs/dbraw/zinc/64/89/36/346648936.db2.gz QLAARYWTLYIDRR-NSHDSACASA-N 2 0 249.314 0.705 20 0 BCADRP C[C@@H]1C[N@H+](CCc2cncn2C)C[C@H]1C[NH3+] ZINC000641817959 362769514 /nfs/dbraw/zinc/76/95/14/362769514.db2.gz AHFBRXJLIYJBEQ-GHMZBOCLSA-N 2 0 222.336 0.489 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)NC(C)(C)C[NH3+] ZINC000577165048 365849424 /nfs/dbraw/zinc/84/94/24/365849424.db2.gz WEDRIASHDPIIJO-UHFFFAOYSA-N 2 0 230.356 0.411 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)C[C@H](C)[NH3+] ZINC000037825199 346709903 /nfs/dbraw/zinc/70/99/03/346709903.db2.gz PJKQKCLBNCWYOS-NSHDSACASA-N 2 0 229.368 0.770 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000580212464 346685967 /nfs/dbraw/zinc/68/59/67/346685967.db2.gz MNWCSQGITQEYJX-NWDGAFQWSA-N 3 0 209.337 0.766 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000037480521 346697125 /nfs/dbraw/zinc/69/71/25/346697125.db2.gz LDNBVSOAYHFHDA-LLVKDONJSA-N 2 0 227.352 0.668 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C(C)(C)C[NH3+] ZINC000309736223 347151842 /nfs/dbraw/zinc/15/18/42/347151842.db2.gz CKESYAQSNBPYJW-VIFPVBQESA-N 2 0 215.341 0.605 20 0 BCADRP [NH3+]C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCCO1 ZINC000580328746 347166005 /nfs/dbraw/zinc/16/60/05/347166005.db2.gz CXHHIZMXWNIKEY-ZDUSSCGKSA-N 3 0 241.379 0.426 20 0 BCADRP C[C@]1(CN2CC[NH2+]C(C)(C)C2)CC[NH2+]C1 ZINC000335269985 347125113 /nfs/dbraw/zinc/12/51/13/347125113.db2.gz NTZMHXPXAVEBTE-LBPRGKRZSA-N 2 0 211.353 0.670 20 0 BCADRP CC[NH+](CC)[C@@H](C)CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188854932 347290317 /nfs/dbraw/zinc/29/03/17/347290317.db2.gz WKTQFNSMCGGJRL-GARJFASQSA-N 2 0 245.342 0.533 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000641941748 362807317 /nfs/dbraw/zinc/80/73/17/362807317.db2.gz JJHNKAZDGJDZRV-XWLWVQCSSA-N 2 0 240.351 0.258 20 0 BCADRP COC[C@@H](C)C[NH2+]C[C@H](C)CN1CCOCC1 ZINC000188016253 347271006 /nfs/dbraw/zinc/27/10/06/347271006.db2.gz BRMLQJCJIKTVHP-STQMWFEESA-N 2 0 244.379 0.827 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH2+]CC1 ZINC000082280614 347328596 /nfs/dbraw/zinc/32/85/96/347328596.db2.gz PFALQVDNDCYUIE-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]([NH3+])C(C)C ZINC000019489209 347330984 /nfs/dbraw/zinc/33/09/84/347330984.db2.gz KPMUVJNSBHJSJD-SNVBAGLBSA-N 2 0 215.341 0.428 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000161031212 323143357 /nfs/dbraw/zinc/14/33/57/323143357.db2.gz IZAWSQWZDAUOGW-GHMZBOCLSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](NC(=O)CC[C@H]1CC[NH2+]C1)[C@H](C)[NH3+] ZINC000571402805 323143663 /nfs/dbraw/zinc/14/36/63/323143663.db2.gz FTWRBTWNNXETHW-AEJSXWLSSA-N 2 0 213.325 0.228 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000191987754 347365905 /nfs/dbraw/zinc/36/59/05/347365905.db2.gz LGNJNSZUVSVEMG-MNOVXSKESA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C1([NH3+])CCC1 ZINC000088050873 362840988 /nfs/dbraw/zinc/84/09/88/362840988.db2.gz GJXZTEGJYHYRHZ-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP CN1CCC[C@H]([NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000396753677 362832612 /nfs/dbraw/zinc/83/26/12/362832612.db2.gz YGVVIFDEGWYCJB-QWRGUYRKSA-N 2 0 225.336 0.339 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000382950362 347506891 /nfs/dbraw/zinc/50/68/91/347506891.db2.gz LMHRIEBOGOWFKQ-WDEREUQCSA-N 2 0 241.379 0.973 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000577219960 365888025 /nfs/dbraw/zinc/88/80/25/365888025.db2.gz RSMYUWJQDJNKMN-GHMZBOCLSA-N 2 0 239.363 0.476 20 0 BCADRP C[C@H]1CC[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000149778310 347512567 /nfs/dbraw/zinc/51/25/67/347512567.db2.gz JXMXGRKMZQDVEH-YFKTTZPYSA-N 2 0 210.321 0.705 20 0 BCADRP C[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000577222088 365889430 /nfs/dbraw/zinc/88/94/30/365889430.db2.gz DRHOVVLZKQJHAN-IMSYWVGJSA-N 2 0 213.325 0.165 20 0 BCADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000590786447 347557220 /nfs/dbraw/zinc/55/72/20/347557220.db2.gz DCDPPTZAXAODMY-LLVKDONJSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000571641035 323150543 /nfs/dbraw/zinc/15/05/43/323150543.db2.gz YUQUSJFBTRAZQR-AEJSXWLSSA-N 2 0 213.325 0.357 20 0 BCADRP CC[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(C)CC1 ZINC000334345607 347590801 /nfs/dbraw/zinc/59/08/01/347590801.db2.gz UZJVEHYYNISJRQ-GFCCVEGCSA-N 2 0 239.363 0.635 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000591096396 347618673 /nfs/dbraw/zinc/61/86/73/347618673.db2.gz IVZGSEFSPVMVKO-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000252868308 347654277 /nfs/dbraw/zinc/65/42/77/347654277.db2.gz RLLUATQNBUQLQX-FIQHERPVSA-N 2 0 239.363 0.713 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000591726717 347692767 /nfs/dbraw/zinc/69/27/67/347692767.db2.gz LDZAATHMWNQNQO-NWDGAFQWSA-N 2 0 239.363 0.396 20 0 BCADRP CN(CC[NH+]1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000591457877 347664889 /nfs/dbraw/zinc/66/48/89/347664889.db2.gz KMNXOPRXBKJOLJ-LBPRGKRZSA-N 2 0 239.363 0.492 20 0 BCADRP Cn1cncc1CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000401759864 347761591 /nfs/dbraw/zinc/76/15/91/347761591.db2.gz ULEHBOVGYBHGNY-QWRGUYRKSA-N 2 0 222.336 0.822 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000577296438 365922403 /nfs/dbraw/zinc/92/24/03/365922403.db2.gz AZXUQHXUPPQPRI-QWRGUYRKSA-N 2 0 240.351 0.119 20 0 BCADRP CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000592494274 347787586 /nfs/dbraw/zinc/78/75/86/347787586.db2.gz OJHKUJANJNIRHM-VXGBXAGGSA-N 2 0 240.347 0.871 20 0 BCADRP COC[C@@](C)(CC(=O)OC)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000592495829 347788602 /nfs/dbraw/zinc/78/86/02/347788602.db2.gz RARKSZLWADDTQP-ZYHUDNBSSA-N 2 0 244.335 0.154 20 0 BCADRP COC(=O)CC1(C[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000592471470 347789929 /nfs/dbraw/zinc/78/99/29/347789929.db2.gz HNDSOUMYKMDCTR-SNVBAGLBSA-N 2 0 226.320 0.610 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)CCCC[NH3+])CC1 ZINC000070202680 349977225 /nfs/dbraw/zinc/97/72/25/349977225.db2.gz ZBTBBFVLBVTIIQ-UHFFFAOYSA-N 2 0 241.379 0.916 20 0 BCADRP OCC1([NH2+]CC[C@@H]2CC[NH2+]C2)CCCC1 ZINC000577379968 365938955 /nfs/dbraw/zinc/93/89/55/365938955.db2.gz QIQJLLLBUQHFEX-NSHDSACASA-N 2 0 212.337 0.881 20 0 BCADRP NCC(F)(F)CC(=O)NCC[N@H+]1CC=CCC1 ZINC000577384069 365940858 /nfs/dbraw/zinc/94/08/58/365940858.db2.gz QFBGQDSHZRPSSQ-UHFFFAOYSA-N 2 0 247.289 0.349 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000295154376 179325222 /nfs/dbraw/zinc/32/52/22/179325222.db2.gz JVABLRKQXVREQM-CHWSQXEVSA-N 2 0 247.342 0.848 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000295027455 179342487 /nfs/dbraw/zinc/34/24/87/179342487.db2.gz NPKKWONJJXRWPM-RTXFEEFZSA-N 2 0 247.342 0.943 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000038098241 348053147 /nfs/dbraw/zinc/05/31/47/348053147.db2.gz KVGHKMFNVQEYGF-NSHDSACASA-N 2 0 225.336 0.339 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000038098244 348053220 /nfs/dbraw/zinc/05/32/20/348053220.db2.gz JERVVYFGDAILND-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000372120819 187386355 /nfs/dbraw/zinc/38/63/55/187386355.db2.gz FZEPYGMGLSBVQH-GHMZBOCLSA-N 2 0 231.315 0.178 20 0 BCADRP CC(C)([NH3+])CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000372500807 187387147 /nfs/dbraw/zinc/38/71/47/187387147.db2.gz AVSGYJISAUCOFE-JTQLQIEISA-N 2 0 227.352 0.620 20 0 BCADRP CC[NH2+]CCNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418316407 490145547 /nfs/dbraw/zinc/14/55/47/490145547.db2.gz JZHDUJBQUOOCKI-NSHDSACASA-N 2 0 242.367 0.427 20 0 BCADRP CC(C)(C[NH3+])NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000335377278 535072164 /nfs/dbraw/zinc/07/21/64/535072164.db2.gz UETLFSSRNVVDFL-LBPRGKRZSA-N 2 0 247.342 0.727 20 0 BCADRP CC[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+](C)C ZINC000125098803 187394408 /nfs/dbraw/zinc/39/44/08/187394408.db2.gz ROIWWGMHXKUQEM-RYUDHWBXSA-N 2 0 241.379 0.879 20 0 BCADRP O[C@@H](C[NH2+]CCC1(O)CCC1)C[NH+]1CCCC1 ZINC000397723054 362902314 /nfs/dbraw/zinc/90/23/14/362902314.db2.gz XHHUMGMAMYFFDX-LBPRGKRZSA-N 2 0 242.363 0.338 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CS1 ZINC000397738541 362903888 /nfs/dbraw/zinc/90/38/88/362903888.db2.gz URWDUYDPYKKZPN-GRYCIOLGSA-N 2 0 244.404 0.927 20 0 BCADRP C[N@@H+]1CC[C@@H]([NH2+]CCCOCCO)CC1(C)C ZINC000623487572 362911562 /nfs/dbraw/zinc/91/15/62/362911562.db2.gz IEFLVBUSAXLDHW-GFCCVEGCSA-N 2 0 244.379 0.848 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129113936 187395847 /nfs/dbraw/zinc/39/58/47/187395847.db2.gz IEUQCVZNJMNHSZ-MBYGNEARSA-N 2 0 239.363 0.759 20 0 BCADRP CSCC[C@H]([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC000595944493 348410934 /nfs/dbraw/zinc/41/09/34/348410934.db2.gz ZCIVOMDBTZVKJH-YUCVTWSNSA-N 2 0 243.376 0.017 20 0 BCADRP COC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901214 348394443 /nfs/dbraw/zinc/39/44/43/348394443.db2.gz SEPPFOPCNDFQBH-GFCCVEGCSA-N 2 0 240.347 0.871 20 0 BCADRP CC(C)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595903549 348395494 /nfs/dbraw/zinc/39/54/94/348395494.db2.gz XYCZOJFDQANUNB-HBNTYKKESA-N 2 0 225.336 0.275 20 0 BCADRP COC(=O)[C@H]1C[C@@H]([N@H+](C)C[C@H]2CC[NH2+]C2)C1 ZINC000595904550 348396087 /nfs/dbraw/zinc/39/60/87/348396087.db2.gz FPXXTYOBLSDHOF-GARJFASQSA-N 2 0 226.320 0.479 20 0 BCADRP COC(=O)[C@H]1C[C@@H]([N@H+](C)CC[C@@H]2CC[NH2+]C2)C1 ZINC000595904771 348396380 /nfs/dbraw/zinc/39/63/80/348396380.db2.gz KQVBBTGXJLOTMH-SDDRHHMPSA-N 2 0 240.347 0.869 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH3+])CC1 ZINC000236647866 187396272 /nfs/dbraw/zinc/39/62/72/187396272.db2.gz CJRPXHHXERAMNS-UHFFFAOYSA-N 2 0 213.325 0.276 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1CC[NH2+]C1 ZINC000236643273 187396433 /nfs/dbraw/zinc/39/64/33/187396433.db2.gz PPSRTCJDBLZVAC-ZJUUUORDSA-N 2 0 213.325 0.086 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H](C)[NH3+])C1 ZINC000070317321 349993663 /nfs/dbraw/zinc/99/36/63/349993663.db2.gz REWUSLOFFSBSFZ-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP Cn1cc(C[NH2+]CCCC[NH+](C)C)nn1 ZINC000054861090 348717660 /nfs/dbraw/zinc/71/76/60/348717660.db2.gz LPCCBKMCXPBJPZ-UHFFFAOYSA-N 2 0 211.313 0.247 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000054076251 348879532 /nfs/dbraw/zinc/87/95/32/348879532.db2.gz ACGLJDIFJQRVCJ-QWRGUYRKSA-N 2 0 229.368 0.687 20 0 BCADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C1(C)C[NH2+]C1 ZINC000399248332 323201780 /nfs/dbraw/zinc/20/17/80/323201780.db2.gz LKZJRAKUASSFKW-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000449591846 201978944 /nfs/dbraw/zinc/97/89/44/201978944.db2.gz NFJSTVZFIIEXPD-HGCLJGPKSA-N 2 0 239.363 0.759 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000308924245 349129197 /nfs/dbraw/zinc/12/91/97/349129197.db2.gz CVNYTZOBEZKMQO-RKDXNWHRSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000248891693 349141440 /nfs/dbraw/zinc/14/14/40/349141440.db2.gz WIDDPOCPFOOLSR-DCAQKATOSA-N 2 0 227.352 0.700 20 0 BCADRP O[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000238710515 490230945 /nfs/dbraw/zinc/23/09/45/490230945.db2.gz XPVLHGJSWJJHRV-NWDGAFQWSA-N 2 0 212.337 0.833 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000249141513 349155710 /nfs/dbraw/zinc/15/57/10/349155710.db2.gz ZKWHGYYVPYGPTI-UTLUCORTSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H](O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000070823075 490238762 /nfs/dbraw/zinc/23/87/62/490238762.db2.gz KNSWPWURGNGKFY-GARJFASQSA-N 2 0 200.326 0.639 20 0 BCADRP C[NH+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252880632 349221043 /nfs/dbraw/zinc/22/10/43/349221043.db2.gz YLDPFLSOKLPWID-GARJFASQSA-N 2 0 225.336 0.134 20 0 BCADRP COC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623516481 362942029 /nfs/dbraw/zinc/94/20/29/362942029.db2.gz UIQLYVGJWHSUIL-GHMZBOCLSA-N 2 0 230.352 0.456 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000252596910 349200814 /nfs/dbraw/zinc/20/08/14/349200814.db2.gz IQUCCLUFMPQDTR-OUAUKWLOSA-N 2 0 227.352 0.441 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)[NH+]1CCCC1 ZINC000252479097 349203324 /nfs/dbraw/zinc/20/33/24/349203324.db2.gz HHHXWCPKIHXIST-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP CC[N@H+](C)CCNc1ccnc(N(C)C)n1 ZINC000082924314 349253353 /nfs/dbraw/zinc/25/33/53/349253353.db2.gz ADCODABONHBFGY-UHFFFAOYSA-N 2 0 223.324 0.906 20 0 BCADRP C[NH+](C)Cc1cccc(NC(=O)NCC[NH3+])c1 ZINC000623053585 349285033 /nfs/dbraw/zinc/28/50/33/349285033.db2.gz JZGCBZRMIVCHGU-UHFFFAOYSA-N 2 0 236.319 0.828 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000563094466 350014335 /nfs/dbraw/zinc/01/43/35/350014335.db2.gz DHMGIFUAUAQMBZ-LBPRGKRZSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]CCCCNC(=O)c1ccccc1CC[NH3+] ZINC000070542064 350019361 /nfs/dbraw/zinc/01/93/61/350019361.db2.gz MTUFDEJADIXVNJ-UHFFFAOYSA-N 2 0 235.331 0.657 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000070618882 350026928 /nfs/dbraw/zinc/02/69/28/350026928.db2.gz VZXHMSDIFUSFTC-PWSUYJOCSA-N 2 0 225.336 0.196 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)[C@@H](C)[NH3+] ZINC000422689572 192432454 /nfs/dbraw/zinc/43/24/54/192432454.db2.gz FKGQCQKGRKDJAY-MXWKQRLJSA-N 2 0 227.352 0.556 20 0 BCADRP [NH3+]CCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071401080 350105676 /nfs/dbraw/zinc/10/56/76/350105676.db2.gz CLPXRXWUOZRBPJ-NSHDSACASA-N 2 0 221.304 0.542 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H](C)C[NH3+] ZINC000309151718 350107466 /nfs/dbraw/zinc/10/74/66/350107466.db2.gz WMDQATMUDUNCJI-PSASIEDQSA-N 2 0 201.314 0.215 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H](C)C[NH3+] ZINC000309151721 350107513 /nfs/dbraw/zinc/10/75/13/350107513.db2.gz WMDQATMUDUNCJI-WPRPVWTQSA-N 2 0 201.314 0.215 20 0 BCADRP CC(C)([NH3+])CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000071137284 350087733 /nfs/dbraw/zinc/08/77/33/350087733.db2.gz CWTSWQHDYLATKY-LLVKDONJSA-N 2 0 211.353 0.894 20 0 BCADRP C[C@@H](CNC(=O)C1([NH3+])CCC1)[N@H+](C)C1CC1 ZINC000219973210 350153780 /nfs/dbraw/zinc/15/37/80/350153780.db2.gz RJFNVFRNLDZJQT-VIFPVBQESA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000427279833 191058740 /nfs/dbraw/zinc/05/87/40/191058740.db2.gz GSIOMMVQJGYHCQ-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000363668705 191064043 /nfs/dbraw/zinc/06/40/43/191064043.db2.gz GNEAPEXKLYIUEE-LPEHRKFASA-N 2 0 225.336 0.310 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000309209841 350191838 /nfs/dbraw/zinc/19/18/38/350191838.db2.gz DFCNWVWORTVYDM-IJLUTSLNSA-N 2 0 230.352 0.314 20 0 BCADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC[NH3+])C1 ZINC000637106684 350204032 /nfs/dbraw/zinc/20/40/32/350204032.db2.gz AFLKWJDWUIPBDS-SNVBAGLBSA-N 2 0 228.340 0.117 20 0 BCADRP CC(C)[C@H](C(=O)NCC1=CC[NH2+]CC1)[NH+](C)C ZINC000427586826 191082123 /nfs/dbraw/zinc/08/21/23/191082123.db2.gz GBXUIMOPDHBLJA-GFCCVEGCSA-N 2 0 239.363 0.609 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000427592100 191083221 /nfs/dbraw/zinc/08/32/21/191083221.db2.gz OEWGEERCHIWCRA-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000309258609 350242774 /nfs/dbraw/zinc/24/27/74/350242774.db2.gz HFMBSBZRWGMXDJ-NXEZZACHSA-N 2 0 213.325 0.086 20 0 BCADRP Cc1nccnc1CC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000339529679 180275356 /nfs/dbraw/zinc/27/53/56/180275356.db2.gz RTMAWNNZRJDZMO-MFKMUULPSA-N 2 0 234.347 0.867 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)CC[NH3+] ZINC000309101793 323317600 /nfs/dbraw/zinc/31/76/00/323317600.db2.gz GDMYIIRUHUAQBE-WPRPVWTQSA-N 2 0 201.314 0.357 20 0 BCADRP C[N@@H+]1CCCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000084381679 538083770 /nfs/dbraw/zinc/08/37/70/538083770.db2.gz HMBGABXKCQEGGK-LLVKDONJSA-N 2 0 225.336 0.150 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCC[NH2+]1 ZINC000130731856 490448699 /nfs/dbraw/zinc/44/86/99/490448699.db2.gz RUZSQKFEJVEOJI-QWRGUYRKSA-N 2 0 225.336 0.387 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000309395600 350367191 /nfs/dbraw/zinc/36/71/91/350367191.db2.gz GNVWMHMPTFNPOZ-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)C(C)(C)O ZINC000309216431 323329598 /nfs/dbraw/zinc/32/95/98/323329598.db2.gz FPJLOSNCJZCFIT-SNVBAGLBSA-N 2 0 232.368 0.438 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C[N@H+](C)C(C)C ZINC000429141677 191097524 /nfs/dbraw/zinc/09/75/24/191097524.db2.gz LOKKNIXKDVPEQC-JTQLQIEISA-N 2 0 215.341 0.426 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000335345218 350361624 /nfs/dbraw/zinc/36/16/24/350361624.db2.gz LVMCMMLRGOUWQJ-GHMZBOCLSA-N 2 0 239.363 0.572 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C1([NH3+])CCC1 ZINC000335354218 350365689 /nfs/dbraw/zinc/36/56/89/350365689.db2.gz FHTQVOUFSFFPNB-SNVBAGLBSA-N 2 0 239.363 0.762 20 0 BCADRP C([C@H]1CCC[NH2+]C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000347176736 133811035 /nfs/dbraw/zinc/81/10/35/133811035.db2.gz QYPKCQQGKUWFKO-AAEUAGOBSA-N 2 0 223.364 0.812 20 0 BCADRP CCN(C)C[C@@H](O)C[NH2+][C@@H]1CCOC1(C)C ZINC000328406414 350399872 /nfs/dbraw/zinc/39/98/72/350399872.db2.gz TUUZGRWQOKKHET-WDEREUQCSA-N 2 0 230.352 0.456 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)CC[C@H](C)[NH3+] ZINC000069839969 350414208 /nfs/dbraw/zinc/41/42/08/350414208.db2.gz DAKSSADKUQXULC-VHSXEESVSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)NCC[NH2+]C2CC2)[C@H]1C ZINC000637339555 350465538 /nfs/dbraw/zinc/46/55/38/350465538.db2.gz JMKKFIQEVWJAJJ-ZJUUUORDSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[NH2+]C1CC1 ZINC000637339605 350465873 /nfs/dbraw/zinc/46/58/73/350465873.db2.gz KRAAQNSBPQUUGX-KOLCDFICSA-N 2 0 240.351 0.036 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC1(C[NH3+])CCCC1 ZINC000309452271 350499465 /nfs/dbraw/zinc/49/94/65/350499465.db2.gz MVEXGXGRCLACST-VIFPVBQESA-N 2 0 213.325 0.502 20 0 BCADRP CCn1nccc1CN(C)C1CC([NH3+])C1 ZINC000384746529 350505399 /nfs/dbraw/zinc/50/53/99/350505399.db2.gz NCUAUPXUINSTFG-UHFFFAOYSA-N 2 0 208.309 0.825 20 0 BCADRP C[N@@H+]1CCCN(C(=O)c2coc(C[NH3+])c2)CC1 ZINC000444263557 191112624 /nfs/dbraw/zinc/11/26/24/191112624.db2.gz GWENDBMGTBHVAT-UHFFFAOYSA-N 2 0 237.303 0.516 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000637485731 350647541 /nfs/dbraw/zinc/64/75/41/350647541.db2.gz BZLHCIYTSATDCM-NSHDSACASA-N 2 0 244.383 0.624 20 0 BCADRP CC(C)[NH+]1CCC(N(C)C(=O)CC[NH3+])CC1 ZINC000037804606 187462943 /nfs/dbraw/zinc/46/29/43/187462943.db2.gz CVSOQOVYJFKGRE-UHFFFAOYSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC1(C[NH3+])CCCC1 ZINC000309505142 350679500 /nfs/dbraw/zinc/67/95/00/350679500.db2.gz VSSYFGNEMAJPSC-IUCAKERBSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000309513122 350694024 /nfs/dbraw/zinc/69/40/24/350694024.db2.gz XXSSUKJKBUPNAS-NXEZZACHSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@H]([NH3+])C(C)C)C1 ZINC000309515502 350694752 /nfs/dbraw/zinc/69/47/52/350694752.db2.gz YMRZONWTFFTBPV-NXEZZACHSA-N 2 0 213.325 0.038 20 0 BCADRP CO[C@@H]1CCN(CC[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000252765041 350915575 /nfs/dbraw/zinc/91/55/75/350915575.db2.gz GHRCDYQKIINECV-JHJVBQTASA-N 2 0 242.363 0.994 20 0 BCADRP CCN(C)C[C@H](O)C[N@H+](C)[C@H](C)C(C)(C)O ZINC000382817951 351053298 /nfs/dbraw/zinc/05/32/98/351053298.db2.gz VJEFTHFKPKNGFD-MNOVXSKESA-N 2 0 232.368 0.390 20 0 BCADRP CCN(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(C)(C)O ZINC000382817953 351053436 /nfs/dbraw/zinc/05/34/36/351053436.db2.gz VJEFTHFKPKNGFD-WDEREUQCSA-N 2 0 232.368 0.390 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079510957 351067049 /nfs/dbraw/zinc/06/70/49/351067049.db2.gz HWUWKFLGSUPHLN-AAEUAGOBSA-N 2 0 239.363 0.729 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079520749 351071138 /nfs/dbraw/zinc/07/11/38/351071138.db2.gz VIITYCYRULJABO-AAEUAGOBSA-N 2 0 241.379 0.975 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000079520633 351071204 /nfs/dbraw/zinc/07/12/04/351071204.db2.gz ZVQJUSGUCPKEOZ-AAEUAGOBSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)(C[NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000335797510 187476427 /nfs/dbraw/zinc/47/64/27/187476427.db2.gz LKQXJBBHAKATDM-RKDXNWHRSA-N 2 0 213.325 0.357 20 0 BCADRP COC[C@@H]([NH2+]CC1([NH3+])CCOCC1)C1CC1 ZINC000398147508 363019653 /nfs/dbraw/zinc/01/96/53/363019653.db2.gz YAXZIXKSSMCTER-LLVKDONJSA-N 2 0 228.336 0.509 20 0 BCADRP COCC[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000380187348 351380809 /nfs/dbraw/zinc/38/08/09/351380809.db2.gz PLSPYENFXPVFQE-OLZOCXBDSA-N 2 0 241.379 0.391 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000137277931 351381247 /nfs/dbraw/zinc/38/12/47/351381247.db2.gz XMCIZIIUIIHYFE-WDEREUQCSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@@H]([NH3+])CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000571921288 323502853 /nfs/dbraw/zinc/50/28/53/323502853.db2.gz KGWMLMYLZUYZKV-JLLWLGSASA-N 2 0 227.352 0.162 20 0 BCADRP CSCC[C@H](CO)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000571938885 323509948 /nfs/dbraw/zinc/50/99/48/323509948.db2.gz IRPATMCVXBDBGX-GMTAPVOTSA-N 2 0 232.393 0.960 20 0 BCADRP CC[C@@H](CO)[N@H+](C)C[C@H](O)CN(C)CC ZINC000393342413 363063828 /nfs/dbraw/zinc/06/38/28/363063828.db2.gz GJGFJKMKMOYZQN-WDEREUQCSA-N 2 0 218.341 0.002 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)C2([NH3+])CCC2)C1 ZINC000088051445 351540285 /nfs/dbraw/zinc/54/02/85/351540285.db2.gz XQZDJOANQFQXPE-JTQLQIEISA-N 2 0 225.336 0.420 20 0 BCADRP CCN(CC[NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000626969796 363070545 /nfs/dbraw/zinc/07/05/45/363070545.db2.gz GRWZUSWZSSGONX-SNVBAGLBSA-N 2 0 242.367 0.459 20 0 BCADRP C[NH2+]CCC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000572155992 323554184 /nfs/dbraw/zinc/55/41/84/323554184.db2.gz ZVRAXPNNDYHTDB-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000577625526 366024732 /nfs/dbraw/zinc/02/47/32/366024732.db2.gz LJSLCFXLSOWFIL-UWVGGRQHSA-N 2 0 235.331 0.930 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000577625528 366024758 /nfs/dbraw/zinc/02/47/58/366024758.db2.gz LJSLCFXLSOWFIL-ZJUUUORDSA-N 2 0 235.331 0.930 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000637805657 351642035 /nfs/dbraw/zinc/64/20/35/351642035.db2.gz OKNWPJKPFRMQQY-VIFPVBQESA-N 2 0 237.303 0.529 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000637811917 351647215 /nfs/dbraw/zinc/64/72/15/351647215.db2.gz SOUXUEWQBSNPQL-NXEZZACHSA-N 2 0 213.325 0.228 20 0 BCADRP CN(C(=O)C1=CC[C@@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000637808637 351647374 /nfs/dbraw/zinc/64/73/74/351647374.db2.gz DMMCOKVBGNBUDP-SNVBAGLBSA-N 2 0 223.320 0.244 20 0 BCADRP CN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH2+]CC1 ZINC000637810432 351650182 /nfs/dbraw/zinc/65/01/82/351650182.db2.gz DZKNRBWAKQZFHB-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000637816582 351656545 /nfs/dbraw/zinc/65/65/45/351656545.db2.gz JOMJPRPGYCLRER-QWRGUYRKSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@H](C(=O)NC[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000637813856 351657615 /nfs/dbraw/zinc/65/76/15/351657615.db2.gz FRRALLXKUZOHAX-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@H](C(=O)NC1CCC([NH3+])CC1)[NH+](C)C ZINC000637818141 351659034 /nfs/dbraw/zinc/65/90/34/351659034.db2.gz AOBRPAKHINOGIS-XNWIYYODSA-N 2 0 213.325 0.323 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000637814164 351659257 /nfs/dbraw/zinc/65/92/57/351659257.db2.gz IPXFAIDEWRJMJL-VHSXEESVSA-N 2 0 213.325 0.100 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000577734290 366047355 /nfs/dbraw/zinc/04/73/55/366047355.db2.gz ZGGALGXJYNKPHS-LLVKDONJSA-N 2 0 229.368 0.688 20 0 BCADRP CC[N@H+](CC(C)C)C[C@@](C)(O)C[NH2+]C ZINC000577737613 366047624 /nfs/dbraw/zinc/04/76/24/366047624.db2.gz ZLOIBIWBLLXJQM-NSHDSACASA-N 2 0 202.342 0.935 20 0 BCADRP C[NH+](C)CC1(C(=O)NC(C)(C)C[NH3+])CC1 ZINC000637831099 351684046 /nfs/dbraw/zinc/68/40/46/351684046.db2.gz QJJUWCSBLRAVCC-UHFFFAOYSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000637835287 351686715 /nfs/dbraw/zinc/68/67/15/351686715.db2.gz GFWRTJXSKUKRBH-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000637849104 351706649 /nfs/dbraw/zinc/70/66/49/351706649.db2.gz WKAOSFDMCJXEEA-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000637836143 351687333 /nfs/dbraw/zinc/68/73/33/351687333.db2.gz SNZHTIPVEMPQMC-UWVGGRQHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H]1CN(C(=O)CCC2C[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000637838929 351688911 /nfs/dbraw/zinc/68/89/11/351688911.db2.gz CTZLWFMYXSCTLM-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000637834429 351689014 /nfs/dbraw/zinc/68/90/14/351689014.db2.gz WPHFVOOVOVRQQX-NWDGAFQWSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)C[C@@H](C)[NH2+]1 ZINC000637839375 351689574 /nfs/dbraw/zinc/68/95/74/351689574.db2.gz JLHIAKQEUFXKMC-FXPVBKGRSA-N 2 0 223.320 0.243 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000637837510 351691026 /nfs/dbraw/zinc/69/10/26/351691026.db2.gz HTZDCFNQDHAOHI-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H](C)[NH+](C)C ZINC000637850842 351708048 /nfs/dbraw/zinc/70/80/48/351708048.db2.gz DETGDSQCYPWPLK-KOLCDFICSA-N 2 0 215.341 0.426 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H](C)[NH+](C)C ZINC000637841473 351697626 /nfs/dbraw/zinc/69/76/26/351697626.db2.gz LYIDFUJHKRECTI-SECBINFHSA-N 2 0 215.341 0.570 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000637844836 351700057 /nfs/dbraw/zinc/70/00/57/351700057.db2.gz LLZVBUBOFOXTNI-AEJSXWLSSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000637845249 351700739 /nfs/dbraw/zinc/70/07/39/351700739.db2.gz AJEDMYYOKZYEPU-MXWKQRLJSA-N 2 0 227.352 0.522 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000637843047 351701567 /nfs/dbraw/zinc/70/15/67/351701567.db2.gz ZLOXEFNNYHUWPO-SECBINFHSA-N 2 0 237.303 0.481 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000637847650 351703343 /nfs/dbraw/zinc/70/33/43/351703343.db2.gz KKJYUERVMJNNHF-WCQGTBRESA-N 2 0 237.347 0.620 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000637847748 351703753 /nfs/dbraw/zinc/70/37/53/351703753.db2.gz CLAKEUVVXSGXPF-QWRGUYRKSA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000637847011 351705232 /nfs/dbraw/zinc/70/52/32/351705232.db2.gz KRWRSWAGFXOGQJ-VHSXEESVSA-N 2 0 211.309 0.133 20 0 BCADRP C[NH2+]CCNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000637825058 351665251 /nfs/dbraw/zinc/66/52/51/351665251.db2.gz UTEXTFYTHUNDPQ-UHFFFAOYSA-N 2 0 247.342 0.210 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000637822190 351666709 /nfs/dbraw/zinc/66/67/09/351666709.db2.gz HGTBKCSVEZJZGS-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]C[C@H]1C ZINC000577725796 366043928 /nfs/dbraw/zinc/04/39/28/366043928.db2.gz PWCHKFRTSBLEPW-OUAUKWLOSA-N 2 0 225.336 0.195 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000637823658 351669110 /nfs/dbraw/zinc/66/91/10/351669110.db2.gz SLNIMTNGATYGLH-QWRGUYRKSA-N 2 0 225.336 0.135 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000577731834 366046567 /nfs/dbraw/zinc/04/65/67/366046567.db2.gz VMIQDQLNCBEUDH-VWYCJHECSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000577731783 366046681 /nfs/dbraw/zinc/04/66/81/366046681.db2.gz SHNJXIZLPIGXKQ-IUCAKERBSA-N 2 0 249.305 0.699 20 0 BCADRP CC[C@@H](C(=O)N1CC[NH2+]CC1(C)C)[NH+](C)C ZINC000637857579 351717639 /nfs/dbraw/zinc/71/76/39/351717639.db2.gz RDINWEXEBCKKHZ-JTQLQIEISA-N 2 0 227.352 0.537 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000637861632 351723036 /nfs/dbraw/zinc/72/30/36/351723036.db2.gz HRUMYHHXYFIESY-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](C)[NH2+]CC ZINC000637866661 351727385 /nfs/dbraw/zinc/72/73/85/351727385.db2.gz OSKKQRWPYRJOLP-ZJUUUORDSA-N 2 0 215.341 0.618 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000577750142 366053476 /nfs/dbraw/zinc/05/34/76/366053476.db2.gz UUDHIQZAGJYTDU-LBPRGKRZSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](C(=O)NC[C@@]1(C)CCC[NH2+]C1)C1C[NH2+]C1 ZINC000577750133 366053687 /nfs/dbraw/zinc/05/36/87/366053687.db2.gz UONGSQQPOIKCTN-MFKMUULPSA-N 2 0 239.363 0.348 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[NH+](C)C ZINC000637850747 351708358 /nfs/dbraw/zinc/70/83/58/351708358.db2.gz CAOWZOSJFCGXCJ-QJPTWQEYSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000637852302 351711248 /nfs/dbraw/zinc/71/12/48/351711248.db2.gz MUBLQCPVTOXBLR-VWYCJHECSA-N 2 0 227.352 0.618 20 0 BCADRP [NH3+][C@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)C1CCC1 ZINC000577849005 366074884 /nfs/dbraw/zinc/07/48/84/366074884.db2.gz RQZJEDFCCJBBND-RYUDHWBXSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000572361875 323608374 /nfs/dbraw/zinc/60/83/74/323608374.db2.gz FVIZYHDBQFVGQO-NSHDSACASA-N 2 0 241.379 0.960 20 0 BCADRP C[C@]1(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000577841471 366079198 /nfs/dbraw/zinc/07/91/98/366079198.db2.gz QDFANFLVGQYZFN-GVXVVHGQSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@]1(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000577841472 366079626 /nfs/dbraw/zinc/07/96/26/366079626.db2.gz QDFANFLVGQYZFN-LOWVWBTDSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@]1(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000577841473 366079639 /nfs/dbraw/zinc/07/96/39/366079639.db2.gz QDFANFLVGQYZFN-MDZLAQPJSA-N 2 0 239.363 0.620 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000340081194 351882768 /nfs/dbraw/zinc/88/27/68/351882768.db2.gz BUXUIHIOXRHCOZ-IJLUTSLNSA-N 2 0 241.379 0.995 20 0 BCADRP Cc1cc(C[NH3+])oc1C(=O)NCCC[NH+](C)C ZINC000638046243 351925622 /nfs/dbraw/zinc/92/56/22/351925622.db2.gz CETMPRSGARBUHH-UHFFFAOYSA-N 2 0 239.319 0.728 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000638047437 351926725 /nfs/dbraw/zinc/92/67/25/351926725.db2.gz HNNXLYMZAPJZRO-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC(C)(C)[NH+](C)C ZINC000638049348 351927340 /nfs/dbraw/zinc/92/73/40/351927340.db2.gz DDLSEIVYJSVDSP-VIFPVBQESA-N 2 0 215.341 0.441 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCCCC[NH+](C)C ZINC000638068787 351940430 /nfs/dbraw/zinc/94/04/30/351940430.db2.gz ZLUSFYNCVCJKRK-JTQLQIEISA-N 2 0 215.341 0.442 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000638069353 351941709 /nfs/dbraw/zinc/94/17/09/351941709.db2.gz JMNCTBKFKPFMIA-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000638072231 351944730 /nfs/dbraw/zinc/94/47/30/351944730.db2.gz KZRPSAOEYDVWBZ-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000638072743 351945395 /nfs/dbraw/zinc/94/53/95/351945395.db2.gz VIXXCRSHQTXGRM-NWDGAFQWSA-N 2 0 241.379 0.785 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000638142919 352006877 /nfs/dbraw/zinc/00/68/77/352006877.db2.gz VWOJONXTZZUTMP-SNVBAGLBSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C[N@H+](C)CC(C)(C)C ZINC000638145226 352008252 /nfs/dbraw/zinc/00/82/52/352008252.db2.gz QAGITPPZBRYFNA-SNVBAGLBSA-N 2 0 229.368 0.675 20 0 BCADRP COCC[NH2+]CCNC(=O)[C@@H]([NH3+])CCC(C)C ZINC000638153915 352014359 /nfs/dbraw/zinc/01/43/59/352014359.db2.gz LIYXJQOFBHWDHK-NSHDSACASA-N 2 0 245.367 0.102 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCCCCn1ccnc1 ZINC000638076527 351949952 /nfs/dbraw/zinc/94/99/52/351949952.db2.gz QSBVEUMBTYHZFL-LLVKDONJSA-N 2 0 238.335 0.778 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC1CC[NH+](CC)CC1 ZINC000638078346 351952028 /nfs/dbraw/zinc/95/20/28/351952028.db2.gz JBZHUIJXZBGBAL-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000638080103 351953532 /nfs/dbraw/zinc/95/35/32/351953532.db2.gz YOXJDFZSBDUCSW-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP CCC[NH+]1CCC(NC(=O)C2([NH3+])CC2)CC1 ZINC000083835349 351956911 /nfs/dbraw/zinc/95/69/11/351956911.db2.gz LBHJHYPFHXEWJH-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC[N@H+](C)C1CC1 ZINC000638085460 351961974 /nfs/dbraw/zinc/96/19/74/351961974.db2.gz ZXMPSVXAYJREBN-VIFPVBQESA-N 2 0 213.325 0.195 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638097924 351978832 /nfs/dbraw/zinc/97/88/32/351978832.db2.gz XQMABIKMCLYDIK-RYUDHWBXSA-N 2 0 237.347 0.587 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638097925 351979139 /nfs/dbraw/zinc/97/91/39/351979139.db2.gz XQMABIKMCLYDIK-VXGBXAGGSA-N 2 0 237.347 0.587 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000638102439 351981512 /nfs/dbraw/zinc/98/15/12/351981512.db2.gz UYTBKWRDMXADSJ-LLVKDONJSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000638136487 352002719 /nfs/dbraw/zinc/00/27/19/352002719.db2.gz ZAAMHXHESUZDNB-USWWRNFRSA-N 2 0 249.358 0.775 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000638136488 352002819 /nfs/dbraw/zinc/00/28/19/352002819.db2.gz ZAAMHXHESUZDNB-YUSALJHKSA-N 2 0 249.358 0.775 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638134477 352003024 /nfs/dbraw/zinc/00/30/24/352003024.db2.gz NODKZHRWUAEHRF-SUZMYJTESA-N 2 0 249.358 0.633 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638176839 352042949 /nfs/dbraw/zinc/04/29/49/352042949.db2.gz GIHAZFCKDOPUFG-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+](C)C ZINC000638177077 352043051 /nfs/dbraw/zinc/04/30/51/352043051.db2.gz HRRRVSVAOMPLLJ-OPRDCNLKSA-N 2 0 213.325 0.051 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])CCC(C)C ZINC000638212476 352074613 /nfs/dbraw/zinc/07/46/13/352074613.db2.gz JBSLXOLTCUZTSO-MNOVXSKESA-N 2 0 229.368 0.864 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638212279 352074720 /nfs/dbraw/zinc/07/47/20/352074720.db2.gz WNWUCEGSBQWSBW-SNVBAGLBSA-N 2 0 247.342 0.338 20 0 BCADRP C(C[C@@H]1CCO1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638186105 352051062 /nfs/dbraw/zinc/05/10/62/352051062.db2.gz LGHFWJYIULMBPQ-GRYCIOLGSA-N 2 0 210.321 0.707 20 0 BCADRP C(C[C@@H]1CCO1)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000638186106 352051324 /nfs/dbraw/zinc/05/13/24/352051324.db2.gz LGHFWJYIULMBPQ-IJLUTSLNSA-N 2 0 210.321 0.707 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000638197920 352060136 /nfs/dbraw/zinc/06/01/36/352060136.db2.gz FTAUQCITPYCLPL-YUSALJHKSA-N 2 0 235.331 0.244 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000638197918 352060392 /nfs/dbraw/zinc/06/03/92/352060392.db2.gz FTAUQCITPYCLPL-MVWJERBFSA-N 2 0 235.331 0.244 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC(C)([NH3+])CC1 ZINC000638196087 352060443 /nfs/dbraw/zinc/06/04/43/352060443.db2.gz PSXUOWCBOTXRLT-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638201034 352061712 /nfs/dbraw/zinc/06/17/12/352061712.db2.gz ACTGEQGJINVTAA-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CCC1C[NH2+]C1 ZINC000638203812 352065132 /nfs/dbraw/zinc/06/51/32/352065132.db2.gz HRSBGZBZQYLBGS-VHSXEESVSA-N 2 0 225.336 0.195 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000638208041 352070532 /nfs/dbraw/zinc/07/05/32/352070532.db2.gz RVOUGVFPFYRZCB-OPRDCNLKSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@H](C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000638209611 352072172 /nfs/dbraw/zinc/07/21/72/352072172.db2.gz FAJWCQKTFYAXFR-AEJSXWLSSA-N 2 0 213.325 0.193 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH3+])CC[N@@H+]1C ZINC000638153095 352017210 /nfs/dbraw/zinc/01/72/10/352017210.db2.gz BYNVNYBASCGQNA-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638156317 352019871 /nfs/dbraw/zinc/01/98/71/352019871.db2.gz NJGCCWOZRMJORM-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638159557 352023872 /nfs/dbraw/zinc/02/38/72/352023872.db2.gz CBLQTUHEOIYGTE-RYUDHWBXSA-N 2 0 237.347 0.634 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[C@@H](C)C[NH2+]1 ZINC000638157859 352025569 /nfs/dbraw/zinc/02/55/69/352025569.db2.gz GFTOGTYYUCCOCE-UKKRHICBSA-N 2 0 248.330 0.722 20 0 BCADRP C[N@H+](CC(=O)NCC1([NH3+])CCC1)CC(C)(C)C ZINC000638162289 352026520 /nfs/dbraw/zinc/02/65/20/352026520.db2.gz OZIYWBIRXCAQFF-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP CCc1c[nH]c(CC(=O)NCC2([NH3+])CCC2)n1 ZINC000638161990 352026674 /nfs/dbraw/zinc/02/66/74/352026674.db2.gz KLXNLPJFCHBDKV-UHFFFAOYSA-N 2 0 236.319 0.512 20 0 BCADRP CCOC(=O)[C@H](C)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405225912 352129079 /nfs/dbraw/zinc/12/90/79/352129079.db2.gz SQDMKHKPXNPWRT-HBNTYKKESA-N 2 0 244.335 0.234 20 0 BCADRP C[C@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)[NH+](C)C ZINC000638217302 352078035 /nfs/dbraw/zinc/07/80/35/352078035.db2.gz MSWODYUTWRQDEH-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638220055 352079463 /nfs/dbraw/zinc/07/94/63/352079463.db2.gz MNAIUTKBIYLOHB-PWSUYJOCSA-N 2 0 223.320 0.231 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000638220903 352080363 /nfs/dbraw/zinc/08/03/63/352080363.db2.gz UDTYOVXXHIYJPR-ONGXEEELSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H](C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[NH+](C)C ZINC000638232320 352087122 /nfs/dbraw/zinc/08/71/22/352087122.db2.gz ASSMXYDVTNVHBH-DGCLKSJQSA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+][C@H]1CC=C(C(=O)N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000638245110 352092454 /nfs/dbraw/zinc/09/24/54/352092454.db2.gz RQSJMDIDXZUDEE-WDEREUQCSA-N 2 0 235.331 0.292 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000638247897 352093884 /nfs/dbraw/zinc/09/38/84/352093884.db2.gz PVVSZETTYIBQCW-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000638248953 352095108 /nfs/dbraw/zinc/09/51/08/352095108.db2.gz WGCAICKFXLAEPV-VWYCJHECSA-N 2 0 225.336 0.195 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC(C)(C)CCC[NH3+] ZINC000638252861 352095995 /nfs/dbraw/zinc/09/59/95/352095995.db2.gz WPIVTNAUERKBFK-VIFPVBQESA-N 2 0 215.341 0.618 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)C1(C[NH+](C)C)CC1 ZINC000638253001 352096275 /nfs/dbraw/zinc/09/62/75/352096275.db2.gz ZPLKAPWYLVZIBU-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638254026 352097080 /nfs/dbraw/zinc/09/70/80/352097080.db2.gz FEBRLAJPVDLNQV-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)C1=CC[C@@H]([NH3+])C1)C(F)F ZINC000638254852 352098123 /nfs/dbraw/zinc/09/81/23/352098123.db2.gz HOHVULXFTLGWJV-HTQZYQBOSA-N 2 0 233.262 0.133 20 0 BCADRP CC[C@H](C(=O)NC(C)(C)CCC[NH3+])[NH+](C)C ZINC000638251780 352099347 /nfs/dbraw/zinc/09/93/47/352099347.db2.gz QFFXJXAULYSIJW-SNVBAGLBSA-N 2 0 229.368 0.960 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000638251717 352099580 /nfs/dbraw/zinc/09/95/80/352099580.db2.gz JUOLJBUZLNKIDK-IUCAKERBSA-N 2 0 201.314 0.228 20 0 BCADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000638259478 352100502 /nfs/dbraw/zinc/10/05/02/352100502.db2.gz USHQHFOVSVJBAL-NEPJUHHUSA-N 2 0 247.298 0.345 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CC[NH3+])C(F)F)C1 ZINC000638259756 352102857 /nfs/dbraw/zinc/10/28/57/352102857.db2.gz SOEHFDSMMZNANM-DTWKUNHWSA-N 2 0 249.305 0.427 20 0 BCADRP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)[C@H](C)[NH3+] ZINC000638256103 352103080 /nfs/dbraw/zinc/10/30/80/352103080.db2.gz NPUDMDVBJXEVAU-AEJSXWLSSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H](C(=O)N(C)C1(C[NH3+])CCC1)[NH+](C)C ZINC000638263246 352105556 /nfs/dbraw/zinc/10/55/56/352105556.db2.gz UNTICXXIYHZTOQ-SECBINFHSA-N 2 0 213.325 0.276 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000638263324 352105598 /nfs/dbraw/zinc/10/55/98/352105598.db2.gz WUHBTCCHLIYSGN-VXGBXAGGSA-N 2 0 237.347 0.682 20 0 BCADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000638266193 352105971 /nfs/dbraw/zinc/10/59/71/352105971.db2.gz BVALWNNIQUWMER-GHMZBOCLSA-N 2 0 239.363 0.572 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000638265586 352106024 /nfs/dbraw/zinc/10/60/24/352106024.db2.gz GCAWOAUSFPQBFT-NKWVEPMBSA-N 2 0 241.257 0.380 20 0 BCADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638269662 352106832 /nfs/dbraw/zinc/10/68/32/352106832.db2.gz SIZKRAMABYRDOZ-IEBDPFPHSA-N 2 0 223.320 0.278 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638269845 352107277 /nfs/dbraw/zinc/10/72/77/352107277.db2.gz BSPPBTBRICRZRP-JTQLQIEISA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H](C(=O)NCCC[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000638268959 352108179 /nfs/dbraw/zinc/10/81/79/352108179.db2.gz ZKEVJNYFWZWORJ-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000638270858 352109193 /nfs/dbraw/zinc/10/91/93/352109193.db2.gz NKZKIQVMRUMPIY-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000638271313 352109587 /nfs/dbraw/zinc/10/95/87/352109587.db2.gz VLVJQNYALNEAQP-DTWKUNHWSA-N 2 0 213.325 0.241 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000638333424 352151876 /nfs/dbraw/zinc/15/18/76/352151876.db2.gz XDXPXXHPDVUABY-NWDGAFQWSA-N 2 0 241.379 0.946 20 0 BCADRP CCN(CC[NH3+])C(=O)NCC1([NH+](C)C)CCC1 ZINC000627017123 363114800 /nfs/dbraw/zinc/11/48/00/363114800.db2.gz BSMIRFLLPUESTE-UHFFFAOYSA-N 2 0 242.367 0.461 20 0 BCADRP CC[C@@H](C(=O)N(C)[C@H](C[NH3+])C1CC1)[NH+](C)C ZINC000638331406 352152970 /nfs/dbraw/zinc/15/29/70/352152970.db2.gz HQTLMDYJWWTEKK-WDEREUQCSA-N 2 0 227.352 0.522 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000638332018 352153925 /nfs/dbraw/zinc/15/39/25/352153925.db2.gz CMOXIEPLHUFDHJ-BDAKNGLRSA-N 2 0 215.341 0.474 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000638336309 352154921 /nfs/dbraw/zinc/15/49/21/352154921.db2.gz SBEFOKATRDSJBT-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000638344205 352162884 /nfs/dbraw/zinc/16/28/84/352162884.db2.gz WRYJYXYHUIUYLH-GUBZILKMSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638344208 352163211 /nfs/dbraw/zinc/16/32/11/352163211.db2.gz WRYJYXYHUIUYLH-UTLUCORTSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@H](C(=O)N1CCC2(CC[NH2+]2)CC1)[NH+](C)C ZINC000638356752 352170834 /nfs/dbraw/zinc/17/08/34/352170834.db2.gz GIUQRFFIBDRYQT-SNVBAGLBSA-N 2 0 225.336 0.291 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000638364993 352175343 /nfs/dbraw/zinc/17/53/43/352175343.db2.gz UXUWKXVXBXJDGS-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H](C)[NH+](C)C ZINC000638368681 352177704 /nfs/dbraw/zinc/17/77/04/352177704.db2.gz LTYQJGBBLMGFJW-IWSPIJDZSA-N 2 0 201.314 0.179 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638368717 352178174 /nfs/dbraw/zinc/17/81/74/352178174.db2.gz MJLMINFMSQZBGK-DCAQKATOSA-N 2 0 227.352 0.713 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000638370036 352181108 /nfs/dbraw/zinc/18/11/08/352181108.db2.gz WGDKODIYSLSNFG-GHMZBOCLSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638371684 352185266 /nfs/dbraw/zinc/18/52/66/352185266.db2.gz TTZLIRGPYIBTSE-OYNCUSHFSA-N 2 0 211.309 0.276 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000638375925 352185802 /nfs/dbraw/zinc/18/58/02/352185802.db2.gz JUMKUDKCKZUWRX-GHMZBOCLSA-N 2 0 239.363 0.775 20 0 BCADRP O=C(CCC1C[NH2+]C1)NCCC[NH2+]C1CC1 ZINC000638374411 352187278 /nfs/dbraw/zinc/18/72/78/352187278.db2.gz LFNXITIHZQWUKG-UHFFFAOYSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000638380426 352189976 /nfs/dbraw/zinc/18/99/76/352189976.db2.gz CPFBDAQJLQYLOB-BMQDGWLCSA-N 2 0 225.336 0.454 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C3=CC[C@@H]([NH3+])C3)[C@@H]2C1 ZINC000638313324 352140128 /nfs/dbraw/zinc/14/01/28/352140128.db2.gz UAEZXTVRPIBFLO-RAIGVLPGSA-N 2 0 249.358 0.587 20 0 BCADRP CC[C@H](CO)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638314854 352140632 /nfs/dbraw/zinc/14/06/32/352140632.db2.gz DIPHFEAEBJYPCV-LLVKDONJSA-N 2 0 244.379 0.582 20 0 BCADRP C[C@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)[NH+](C)C ZINC000638326127 352145266 /nfs/dbraw/zinc/14/52/66/352145266.db2.gz KINXPQJQQSRZMH-KOLCDFICSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+])[NH+](C)C ZINC000638389225 352196613 /nfs/dbraw/zinc/19/66/13/352196613.db2.gz MBBWBWIXSZAGKF-UTUOFQBUSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000638389579 352196639 /nfs/dbraw/zinc/19/66/39/352196639.db2.gz HTDLLEOAWPNJFZ-GARJFASQSA-N 2 0 227.352 0.700 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000638327111 352146902 /nfs/dbraw/zinc/14/69/02/352146902.db2.gz SJPFWVKYDWMHIG-GXSJLCMTSA-N 2 0 227.352 0.618 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000638327112 352146918 /nfs/dbraw/zinc/14/69/18/352146918.db2.gz SJPFWVKYDWMHIG-KOLCDFICSA-N 2 0 227.352 0.618 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000638327113 352147001 /nfs/dbraw/zinc/14/70/01/352147001.db2.gz SJPFWVKYDWMHIG-MWLCHTKSSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000638330711 352148342 /nfs/dbraw/zinc/14/83/42/352148342.db2.gz SPCXSLFSGHNPAO-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638433171 352242192 /nfs/dbraw/zinc/24/21/92/352242192.db2.gz QYPUZAGVHQROBH-ZJUUUORDSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638394577 352200522 /nfs/dbraw/zinc/20/05/22/352200522.db2.gz GCCMOPWAJZOSEJ-JLLWLGSASA-N 2 0 237.347 0.490 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638396534 352203544 /nfs/dbraw/zinc/20/35/44/352203544.db2.gz KXHOIUDLNSKDJJ-SRVKXCTJSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638398519 352206416 /nfs/dbraw/zinc/20/64/16/352206416.db2.gz UXEOLWYICOYICD-FBIMIBRVSA-N 2 0 223.320 0.372 20 0 BCADRP C[C@H]([NH3+])CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000638401150 352206777 /nfs/dbraw/zinc/20/67/77/352206777.db2.gz PHUOUVXHQFNHRB-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N(C)CC(C)(C)[NH3+] ZINC000638402860 352209267 /nfs/dbraw/zinc/20/92/67/352209267.db2.gz UZHGYQVZDNYPFD-JTQLQIEISA-N 2 0 229.368 0.946 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000638408477 352214724 /nfs/dbraw/zinc/21/47/24/352214724.db2.gz BOHCFGKKIBXZRR-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP C[NH+](C)CC1(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000638410056 352217817 /nfs/dbraw/zinc/21/78/17/352217817.db2.gz UOSMKGSYKAMLSP-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000638408928 352218695 /nfs/dbraw/zinc/21/86/95/352218695.db2.gz LXMOFZPPZCXKCE-VHSXEESVSA-N 2 0 215.341 0.441 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000638408926 352218813 /nfs/dbraw/zinc/21/88/13/352218813.db2.gz LXMOFZPPZCXKCE-NXEZZACHSA-N 2 0 215.341 0.441 20 0 BCADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000638417711 352227399 /nfs/dbraw/zinc/22/73/99/352227399.db2.gz JIYKYYMQNGYSFZ-ZBOXLXRLSA-N 2 0 237.347 0.278 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC000638417700 352227510 /nfs/dbraw/zinc/22/75/10/352227510.db2.gz IZZVQZSMPUNCGN-AKJDGMEZSA-N 2 0 239.363 0.700 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000638426073 352234133 /nfs/dbraw/zinc/23/41/33/352234133.db2.gz NOPFMIPZHKPJAG-AKJDGMEZSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H](C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)[NH+](C)C ZINC000638441816 352248499 /nfs/dbraw/zinc/24/84/99/352248499.db2.gz JVDJFBZZTXYUMR-SCVCMEIPSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC[NH2+]C1 ZINC000638439387 352248940 /nfs/dbraw/zinc/24/89/40/352248940.db2.gz HPWSYRVUXJETDJ-LNLATYFQSA-N 2 0 234.303 0.381 20 0 BCADRP C[C@@H](CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[NH+](C)C ZINC000627052813 363172289 /nfs/dbraw/zinc/17/22/89/363172289.db2.gz SWDIGWHNQDHYDZ-OUAUKWLOSA-N 2 0 242.367 0.376 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638499590 352319139 /nfs/dbraw/zinc/31/91/39/352319139.db2.gz QWTZRBVLKHUZAL-JQWIXIFHSA-N 2 0 239.363 0.905 20 0 BCADRP [NH3+]C1(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000638499886 352319244 /nfs/dbraw/zinc/31/92/44/352319244.db2.gz SKMZUGQGCXOYLC-SNVBAGLBSA-N 2 0 237.347 0.659 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627063567 363179435 /nfs/dbraw/zinc/17/94/35/363179435.db2.gz SVWNBOBYDGRDGK-JTQLQIEISA-N 2 0 240.351 0.180 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638482940 352292486 /nfs/dbraw/zinc/29/24/86/352292486.db2.gz GHRZSOIBLZJDOC-LBPRGKRZSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638482934 352292509 /nfs/dbraw/zinc/29/25/09/352292509.db2.gz GHRZSOIBLZJDOC-GFCCVEGCSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000638484161 352292882 /nfs/dbraw/zinc/29/28/82/352292882.db2.gz OSWAYWIYOZTVHU-NEPJUHHUSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)CCC[NH3+] ZINC000638483483 352292907 /nfs/dbraw/zinc/29/29/07/352292907.db2.gz KIIQAIOSDSCWBU-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)CC[C@H](C)[NH3+] ZINC000638487612 352296554 /nfs/dbraw/zinc/29/65/54/352296554.db2.gz BXOBTTMAVLKDQN-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000638490166 352299184 /nfs/dbraw/zinc/29/91/84/352299184.db2.gz UNQBQQHEYYBYRR-GHMZBOCLSA-N 2 0 239.363 0.441 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638489668 352300934 /nfs/dbraw/zinc/30/09/34/352300934.db2.gz NIBGPTFDSTVMHE-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000638491770 352303202 /nfs/dbraw/zinc/30/32/02/352303202.db2.gz JJAPYWWDKYQMJB-AXFHLTTASA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000638491771 352303279 /nfs/dbraw/zinc/30/32/79/352303279.db2.gz JJAPYWWDKYQMJB-OUAUKWLOSA-N 2 0 225.336 0.180 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638493525 352306989 /nfs/dbraw/zinc/30/69/89/352306989.db2.gz WYUBXNUPCHRSSS-GHMZBOCLSA-N 2 0 227.352 0.441 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638505310 352326329 /nfs/dbraw/zinc/32/63/29/352326329.db2.gz KWZJQTIDBJNLLA-LLVKDONJSA-N 2 0 239.363 0.729 20 0 BCADRP O=C(C[C@@H]1CC[NH2+]C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638505306 352326781 /nfs/dbraw/zinc/32/67/81/352326781.db2.gz KTJJRRRBJBBUJQ-QWRGUYRKSA-N 2 0 237.347 0.387 20 0 BCADRP O=C(C[C@H]1CC[NH2+]C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638505305 352326793 /nfs/dbraw/zinc/32/67/93/352326793.db2.gz KTJJRRRBJBBUJQ-MNOVXSKESA-N 2 0 237.347 0.387 20 0 BCADRP CCN(CC[NH3+])C(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000638522435 352355089 /nfs/dbraw/zinc/35/50/89/352355089.db2.gz GYCWDRVSIHPQSP-LLVKDONJSA-N 2 0 241.379 0.819 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638510707 352334866 /nfs/dbraw/zinc/33/48/66/352334866.db2.gz XSSNUKJKFNDCMC-WDEREUQCSA-N 2 0 239.363 0.775 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638510702 352335003 /nfs/dbraw/zinc/33/50/03/352335003.db2.gz XSSNUKJKFNDCMC-MNOVXSKESA-N 2 0 239.363 0.775 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638511115 352335563 /nfs/dbraw/zinc/33/55/63/352335563.db2.gz ZOJDKZWMPMWJIG-NXEZZACHSA-N 2 0 237.347 0.385 20 0 BCADRP [NH3+][C@@H](C(=O)N[C@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000638511414 352336173 /nfs/dbraw/zinc/33/61/73/352336173.db2.gz OXCNROCGGVKTSG-WDEREUQCSA-N 2 0 237.347 0.515 20 0 BCADRP [NH3+][C@H](C(=O)N[C@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000638511412 352336413 /nfs/dbraw/zinc/33/64/13/352336413.db2.gz OXCNROCGGVKTSG-QWRGUYRKSA-N 2 0 237.347 0.515 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](CO)O2)CC1 ZINC000340413474 352337119 /nfs/dbraw/zinc/33/71/19/352337119.db2.gz DLTGGBRPNDOFLT-OLZOCXBDSA-N 2 0 242.363 0.600 20 0 BCADRP CC[NH+]1CCC([NH2+]C[C@H]2CC[C@H](CO)O2)CC1 ZINC000340413469 352337144 /nfs/dbraw/zinc/33/71/44/352337144.db2.gz DLTGGBRPNDOFLT-CHWSQXEVSA-N 2 0 242.363 0.600 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000638516542 352344992 /nfs/dbraw/zinc/34/49/92/352344992.db2.gz DLBLIETUHXNDTG-CYBMUJFWSA-N 2 0 235.331 0.668 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000638516612 352345503 /nfs/dbraw/zinc/34/55/03/352345503.db2.gz FHTVNLZQXPBEBH-LLVKDONJSA-N 2 0 213.325 0.326 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000638528886 352361601 /nfs/dbraw/zinc/36/16/01/352361601.db2.gz VOXBXTADWROICB-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000336741316 352378619 /nfs/dbraw/zinc/37/86/19/352378619.db2.gz NDATXLTWNPVCPO-NXEZZACHSA-N 2 0 213.325 0.357 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000638572701 352401323 /nfs/dbraw/zinc/40/13/23/352401323.db2.gz VCLZICVCEJMRPV-LSCVPOLPSA-N 2 0 237.347 0.243 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000638572013 352396793 /nfs/dbraw/zinc/39/67/93/352396793.db2.gz CYYKHHMNUUQPEJ-IVZWLZJFSA-N 2 0 225.336 0.241 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000638571891 352398907 /nfs/dbraw/zinc/39/89/07/352398907.db2.gz BCONDQGJRMLXJN-CHWFTXMASA-N 2 0 225.336 0.241 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N(C)CCOCC[NH2+]C ZINC000638586300 352416543 /nfs/dbraw/zinc/41/65/43/352416543.db2.gz OVISYKQOHMFBLB-GFCCVEGCSA-N 2 0 245.367 0.198 20 0 BCADRP C[NH2+]CCOCCN(C)C(=O)C[N@H+](C)C(C)C ZINC000638591037 352422460 /nfs/dbraw/zinc/42/24/60/352422460.db2.gz AJHUOAWXGSWYPG-UHFFFAOYSA-N 2 0 245.367 0.021 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638652756 352493889 /nfs/dbraw/zinc/49/38/89/352493889.db2.gz UNGWCTWPWUYLBX-AEJSXWLSSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC[N@@H+]1C ZINC000638650800 352492670 /nfs/dbraw/zinc/49/26/70/352492670.db2.gz MTLQENQJZNUQAP-DDHJBXDOSA-N 2 0 239.363 0.583 20 0 BCADRP COCCN1CC[C@H]([NH2+]CCC[C@@H]2CCO2)C1 ZINC000638636661 352478608 /nfs/dbraw/zinc/47/86/08/352478608.db2.gz GIGQNOGCLXHHLH-QWHCGFSZSA-N 2 0 242.363 0.866 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)C[NH2+]1 ZINC000638638189 352479977 /nfs/dbraw/zinc/47/99/77/352479977.db2.gz BHMKLDRZWGHJPP-DVVUODLYSA-N 2 0 223.320 0.291 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC000638642426 352484114 /nfs/dbraw/zinc/48/41/14/352484114.db2.gz JFSHLYDDPOXVAY-MDZLAQPJSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)C[NH2+]1 ZINC000638642815 352484870 /nfs/dbraw/zinc/48/48/70/352484870.db2.gz KBVNTOSZUAXKHF-VWYCJHECSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)C[NH2+]1 ZINC000638642809 352485060 /nfs/dbraw/zinc/48/50/60/352485060.db2.gz KBVNTOSZUAXKHF-GMTAPVOTSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)c2c[nH+]ccc2N)C[NH2+]1 ZINC000638642033 352485553 /nfs/dbraw/zinc/48/55/53/352485553.db2.gz HHUMARGIHYHECN-BDAKNGLRSA-N 2 0 234.303 0.364 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000638643534 352486112 /nfs/dbraw/zinc/48/61/12/352486112.db2.gz LRNSSDORJOSOEE-MXWKQRLJSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)c2coc(C[NH3+])c2)C[NH2+]1 ZINC000638644195 352486262 /nfs/dbraw/zinc/48/62/62/352486262.db2.gz ONKUAWLDVPYTBX-WCBMZHEXSA-N 2 0 237.303 0.609 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2cnccn2)C1 ZINC000390090828 352486849 /nfs/dbraw/zinc/48/68/49/352486849.db2.gz BRDBPSVJWPWRFF-MNOVXSKESA-N 2 0 220.320 0.879 20 0 BCADRP C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[NH2+]1 ZINC000638644879 352488110 /nfs/dbraw/zinc/48/81/10/352488110.db2.gz IRHJYBMYJGUHCU-JQWIXIFHSA-N 2 0 239.363 0.585 20 0 BCADRP Cc1ncc(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)[nH]1 ZINC000638644637 352488581 /nfs/dbraw/zinc/48/85/81/352488581.db2.gz QRCVXDGAKQVSBO-APPZFPTMSA-N 2 0 222.292 0.588 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)C[NH2+]1 ZINC000638646307 352489245 /nfs/dbraw/zinc/48/92/45/352489245.db2.gz YUIJUGXYOOZXRZ-LSCVPOLPSA-N 2 0 237.347 0.243 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC000638652508 352496029 /nfs/dbraw/zinc/49/60/29/352496029.db2.gz SGEWHIPIXCOSQU-GRYCIOLGSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC000638652509 352496351 /nfs/dbraw/zinc/49/63/51/352496351.db2.gz SGEWHIPIXCOSQU-IJLUTSLNSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)C2(C[NH3+])CCCC2)C[NH2+]1 ZINC000638654161 352496510 /nfs/dbraw/zinc/49/65/10/352496510.db2.gz JMMHWUZQOIQFES-MNOVXSKESA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638654113 352496777 /nfs/dbraw/zinc/49/67/77/352496777.db2.gz JBQDOBFQRNKPNJ-IVZWLZJFSA-N 2 0 213.325 0.099 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)C2(C[NH3+])CCCC2)C[NH2+]1 ZINC000638654160 352496844 /nfs/dbraw/zinc/49/68/44/352496844.db2.gz JMMHWUZQOIQFES-GHMZBOCLSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)C2([NH3+])CCCCC2)C[NH2+]1 ZINC000638655884 352498444 /nfs/dbraw/zinc/49/84/44/352498444.db2.gz RSAQKNYSHHTWNX-WDEREUQCSA-N 2 0 239.363 0.905 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)CC(C)(C)[NH3+])C[NH2+]1 ZINC000638657590 352498486 /nfs/dbraw/zinc/49/84/86/352498486.db2.gz WUWDIIWTFQPQAP-DTWKUNHWSA-N 2 0 213.325 0.371 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCNC2)C1 ZINC000415006121 352498805 /nfs/dbraw/zinc/49/88/05/352498805.db2.gz PVOZPGIKFXOWLW-QJPTWQEYSA-N 2 0 211.353 0.846 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)[C@@H](C)C[NH3+])CC1 ZINC000044807937 352657384 /nfs/dbraw/zinc/65/73/84/352657384.db2.gz ZSHQYFRYKZTBJE-JTQLQIEISA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000044806965 352657391 /nfs/dbraw/zinc/65/73/91/352657391.db2.gz MQLSUUZEDFXWMT-JTQLQIEISA-N 2 0 227.352 0.381 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000037041671 187805733 /nfs/dbraw/zinc/80/57/33/187805733.db2.gz YXKZTWJLVVLZJJ-GFCCVEGCSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000638766389 352703170 /nfs/dbraw/zinc/70/31/70/352703170.db2.gz VLBWHGIHACRAMY-MMWGEVLESA-N 2 0 225.336 0.241 20 0 BCADRP CC1(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC[NH2+]CC1 ZINC000577851853 366084272 /nfs/dbraw/zinc/08/42/72/366084272.db2.gz NBWKGUSYLANIKR-GWCFXTLKSA-N 2 0 237.347 0.244 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000638773763 352719741 /nfs/dbraw/zinc/71/97/41/352719741.db2.gz QIGZOWJSLJUTSN-WCFLWFBJSA-N 2 0 247.342 0.423 20 0 BCADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCOC2)CC1 ZINC000638773623 352713027 /nfs/dbraw/zinc/71/30/27/352713027.db2.gz NVIMLESOYOMDFZ-GFCCVEGCSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000638772832 352715603 /nfs/dbraw/zinc/71/56/03/352715603.db2.gz JBKZXHOCXNCYIC-ZDDJMSTPSA-N 2 0 237.347 0.384 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000638774222 352716325 /nfs/dbraw/zinc/71/63/25/352716325.db2.gz YEGZGNVBRVDOFM-ZRUFSTJUSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334185709 352774813 /nfs/dbraw/zinc/77/48/13/352774813.db2.gz CDZVHPNVOZHDTH-NEPJUHHUSA-N 2 0 212.337 0.785 20 0 BCADRP CC[NH+]1CCC(CC[NH2+][C@H](C)CC(N)=O)CC1 ZINC000341962807 352735051 /nfs/dbraw/zinc/73/50/51/352735051.db2.gz VGHSFFJPJPRJBY-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000054133498 187829286 /nfs/dbraw/zinc/82/92/86/187829286.db2.gz WEZYDCKFKQEIIU-SNVBAGLBSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000191987632 363199304 /nfs/dbraw/zinc/19/93/04/363199304.db2.gz PYGOKIUZZHUHMW-ZRUFSTJUSA-N 2 0 227.352 0.556 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000627068885 363200301 /nfs/dbraw/zinc/20/03/01/363200301.db2.gz KPXCMWJAZVGGCO-QWRGUYRKSA-N 2 0 242.367 0.365 20 0 BCADRP CCN1C[C@@H](C)[C@H]([NH2+]CCCOCCOC)C1 ZINC000343034144 352940941 /nfs/dbraw/zinc/94/09/41/352940941.db2.gz MRECMVQUTWSRSO-CHWSQXEVSA-N 2 0 244.379 0.969 20 0 BCADRP C[NH2+]CC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638841453 353018092 /nfs/dbraw/zinc/01/80/92/353018092.db2.gz UDLZIMXHYSDKOK-UHFFFAOYSA-N 2 0 233.315 0.168 20 0 BCADRP [NH3+]CCCC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638842498 353018556 /nfs/dbraw/zinc/01/85/56/353018556.db2.gz SOKKGCNKEGHFEN-UHFFFAOYSA-N 2 0 247.342 0.687 20 0 BCADRP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000638854621 353029173 /nfs/dbraw/zinc/02/91/73/353029173.db2.gz SAGNNPOYAMBHBM-GRYCIOLGSA-N 2 0 237.347 0.276 20 0 BCADRP C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000627069490 363201293 /nfs/dbraw/zinc/20/12/93/363201293.db2.gz OSHCDIMMXZVOMG-GMTAPVOTSA-N 2 0 240.351 0.036 20 0 BCADRP CN(C(=O)C1=CC[C@H]([NH3+])C1)[C@H]1C[NH+]2CCC1CC2 ZINC000638854893 353031964 /nfs/dbraw/zinc/03/19/64/353031964.db2.gz VQALDSLAJCAAIB-STQMWFEESA-N 2 0 249.358 0.587 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638814606 352995676 /nfs/dbraw/zinc/99/56/76/352995676.db2.gz FPFDEBIUTQBYDJ-NSHDSACASA-N 2 0 227.352 0.714 20 0 BCADRP CC1(C(=O)N2CCCCC[C@@H]([NH3+])C2)C[NH2+]C1 ZINC000638815485 352996255 /nfs/dbraw/zinc/99/62/55/352996255.db2.gz HRLWZGUKDYNEEY-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638818602 352998945 /nfs/dbraw/zinc/99/89/45/352998945.db2.gz ZNPGCWPYNMXPSM-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638818723 352999668 /nfs/dbraw/zinc/99/96/68/352999668.db2.gz FHQMRCMRPNSSIT-IUCAKERBSA-N 2 0 249.305 0.699 20 0 BCADRP [NH3+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000638819256 352999698 /nfs/dbraw/zinc/99/96/98/352999698.db2.gz IEODEOUWFDUHMD-KXNHARMFSA-N 2 0 237.347 0.467 20 0 BCADRP [NH3+][C@@H]1CCCCCN(C(=O)C2([NH3+])CC2)C1 ZINC000638821837 353002857 /nfs/dbraw/zinc/00/28/57/353002857.db2.gz BKUJQNGRJUBGIB-SECBINFHSA-N 2 0 211.309 0.208 20 0 BCADRP CC(C)([NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638822154 353003371 /nfs/dbraw/zinc/00/33/71/353003371.db2.gz HCBROCPHQXRFHO-VIFPVBQESA-N 2 0 213.325 0.454 20 0 BCADRP C[C@H](C(=O)N1CCCCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000638825822 353007450 /nfs/dbraw/zinc/00/74/50/353007450.db2.gz CANWIYSUTHLOEP-GHMZBOCLSA-N 2 0 227.352 0.666 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914140 353072631 /nfs/dbraw/zinc/07/26/31/353072631.db2.gz MWSAOQRYPWSIAK-GARJFASQSA-N 2 0 223.320 0.043 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H](C)[NH3+] ZINC000638915478 353074650 /nfs/dbraw/zinc/07/46/50/353074650.db2.gz RHAQWCYQHFEZOO-RCWTZXSCSA-N 2 0 225.336 0.179 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627071853 363201796 /nfs/dbraw/zinc/20/17/96/363201796.db2.gz WHIFGPPPXVIHIT-WDEREUQCSA-N 2 0 242.367 0.424 20 0 BCADRP C[NH+](C)CC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638876383 353042455 /nfs/dbraw/zinc/04/24/55/353042455.db2.gz HMKDXZSZGRLBTQ-CYBMUJFWSA-N 2 0 249.358 0.624 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638882724 353048890 /nfs/dbraw/zinc/04/88/90/353048890.db2.gz ZVDZPCDYFAGHPE-DGCLKSJQSA-N 2 0 249.358 0.658 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccc2nccn2c1 ZINC000638938389 353118140 /nfs/dbraw/zinc/11/81/40/353118140.db2.gz XMGIDXCRFIFXPA-ONGXEEELSA-N 2 0 244.298 0.896 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638937267 353111473 /nfs/dbraw/zinc/11/14/73/353111473.db2.gz SHYVGPAALKXSPL-ZJUUUORDSA-N 2 0 213.325 0.276 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638937264 353111655 /nfs/dbraw/zinc/11/16/55/353111655.db2.gz SHYVGPAALKXSPL-NXEZZACHSA-N 2 0 213.325 0.276 20 0 BCADRP CC(C)([NH3+])CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919810 353078141 /nfs/dbraw/zinc/07/81/41/353078141.db2.gz UAJKSBRREYXGRR-DTORHVGOSA-N 2 0 211.309 0.077 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917124 353080414 /nfs/dbraw/zinc/08/04/14/353080414.db2.gz LUSWDOLCCZGJQR-SRVKXCTJSA-N 2 0 237.347 0.339 20 0 BCADRP CC[NH2+]CCNC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000627072183 363202825 /nfs/dbraw/zinc/20/28/25/363202825.db2.gz QFISFSRRMVQHAR-NSHDSACASA-N 2 0 242.367 0.235 20 0 BCADRP [NH3+]CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000638919249 353083588 /nfs/dbraw/zinc/08/35/88/353083588.db2.gz NHASFQKTPMWYGH-PHIMTYICSA-N 2 0 237.347 0.468 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926463 353086683 /nfs/dbraw/zinc/08/66/83/353086683.db2.gz HXHHRTLGHPICIV-PHIMTYICSA-N 2 0 223.320 0.091 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)CC1(C[NH3+])CC1 ZINC000638927951 353087907 /nfs/dbraw/zinc/08/79/07/353087907.db2.gz CRGWQMKJMJADON-DTWKUNHWSA-N 2 0 211.309 0.064 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638931494 353092488 /nfs/dbraw/zinc/09/24/88/353092488.db2.gz MPBNWCAMTXHVER-VLEAKVRGSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000638931521 353092500 /nfs/dbraw/zinc/09/25/00/353092500.db2.gz PVKQKGIXOVAUFU-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638932056 353093896 /nfs/dbraw/zinc/09/38/96/353093896.db2.gz QVBIGSLDRSFBDX-AEJSXWLSSA-N 2 0 213.325 0.323 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638933134 353094878 /nfs/dbraw/zinc/09/48/78/353094878.db2.gz WUGHWCKJQXUSDJ-OUAUKWLOSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000638933173 353095048 /nfs/dbraw/zinc/09/50/48/353095048.db2.gz WZWUQGQJXVYEBR-NAKRPEOUSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000638933176 353095482 /nfs/dbraw/zinc/09/54/82/353095482.db2.gz WZWUQGQJXVYEBR-ZRUFSTJUSA-N 2 0 225.336 0.323 20 0 BCADRP CC[C@H](C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[NH+](C)C ZINC000638933757 353096308 /nfs/dbraw/zinc/09/63/08/353096308.db2.gz ZQFHKOCVZAQVAM-IVZWLZJFSA-N 2 0 213.325 0.275 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000638933905 353096717 /nfs/dbraw/zinc/09/67/17/353096717.db2.gz DAOIVDIDEZSJAU-KXNHARMFSA-N 2 0 239.363 0.807 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638934483 353098286 /nfs/dbraw/zinc/09/82/86/353098286.db2.gz IKKFLOAIISIXFJ-NXEZZACHSA-N 2 0 213.325 0.276 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638943144 353141364 /nfs/dbraw/zinc/14/13/64/353141364.db2.gz QNVTUUJGEKICDH-KYZUINATSA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000638943086 353141372 /nfs/dbraw/zinc/14/13/72/353141372.db2.gz NYMFFDBOPIAAPV-IJLUTSLNSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000357085247 188065760 /nfs/dbraw/zinc/06/57/60/188065760.db2.gz QSDOPTAHTJIPEU-ZDUSSCGKSA-N 2 0 242.363 0.854 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000357105923 188066284 /nfs/dbraw/zinc/06/62/84/188066284.db2.gz OSFTYMZQWLLFEA-LBPRGKRZSA-N 2 0 238.335 0.912 20 0 BCADRP CC(C)([NH3+])CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000335284617 535202430 /nfs/dbraw/zinc/20/24/30/535202430.db2.gz GDMSKORZMOFGNJ-JTQLQIEISA-N 2 0 240.351 0.213 20 0 BCADRP CC[C@@H](C(=O)N1CC[NH2+]C[C@@H]1C)[NH+](CC)CC ZINC000359437360 188068190 /nfs/dbraw/zinc/06/81/90/188068190.db2.gz YGCFLUFPPKGFGR-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)CCC(C)(C)[NH3+] ZINC000638945190 353148843 /nfs/dbraw/zinc/14/88/43/353148843.db2.gz CHRKNJVWLQIZOG-DTWKUNHWSA-N 2 0 213.325 0.452 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000638947014 353149918 /nfs/dbraw/zinc/14/99/18/353149918.db2.gz RDSCAWOXIWWDPU-SKDRFNHKSA-N 2 0 233.315 0.707 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000368112109 188072505 /nfs/dbraw/zinc/07/25/05/188072505.db2.gz BEOACKSFXWUMIY-QWRGUYRKSA-N 2 0 225.336 0.052 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000370158362 188073552 /nfs/dbraw/zinc/07/35/52/188073552.db2.gz FMCHKZOETMXOMY-DCAQKATOSA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000376387297 188078060 /nfs/dbraw/zinc/07/80/60/188078060.db2.gz PVNDSYHQHFXGMO-VXGBXAGGSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638950202 353153140 /nfs/dbraw/zinc/15/31/40/353153140.db2.gz KASSBXHWEIEVLJ-YUSALJHKSA-N 2 0 237.347 0.668 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638950651 353153752 /nfs/dbraw/zinc/15/37/52/353153752.db2.gz PZMMKGFHDKUTQE-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000638950789 353153755 /nfs/dbraw/zinc/15/37/55/353153755.db2.gz SXTGZPSODGCUSX-DLOVCJGASA-N 2 0 239.363 0.748 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000638951181 353154366 /nfs/dbraw/zinc/15/43/66/353154366.db2.gz ZAQARABNQQYYJP-IJLUTSLNSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484908 188082711 /nfs/dbraw/zinc/08/27/11/188082711.db2.gz ZUKCLACBZNMPEL-QWRGUYRKSA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H](C)C[NH3+] ZINC000336658574 188082850 /nfs/dbraw/zinc/08/28/50/188082850.db2.gz IWVXKXVUUQWLHQ-MWLCHTKSSA-N 2 0 215.341 0.461 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484909 188083377 /nfs/dbraw/zinc/08/33/77/188083377.db2.gz ZUKCLACBZNMPEL-WDEREUQCSA-N 2 0 227.352 0.428 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000261581737 535206385 /nfs/dbraw/zinc/20/63/85/535206385.db2.gz NVMXCCLTTKETMI-OPRDCNLKSA-N 2 0 213.325 0.356 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)C2([NH3+])CCC2)CC1 ZINC000147740728 188159208 /nfs/dbraw/zinc/15/92/08/188159208.db2.gz QBTSVUZPRHKIJF-UHFFFAOYSA-N 2 0 239.363 0.857 20 0 BCADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2COCCO2)CC1 ZINC000038060148 188161268 /nfs/dbraw/zinc/16/12/68/188161268.db2.gz GOSXDEBKUGVOFU-ZDUSSCGKSA-N 2 0 242.363 0.864 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000336646415 188162063 /nfs/dbraw/zinc/16/20/63/188162063.db2.gz BEOKLFLYKYRUAP-LPEHRKFASA-N 2 0 213.325 0.165 20 0 BCADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)CC(N)=O ZINC000309079952 188165983 /nfs/dbraw/zinc/16/59/83/188165983.db2.gz OECRIKOARXWLPL-SNVBAGLBSA-N 2 0 215.341 0.570 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000309256221 188167463 /nfs/dbraw/zinc/16/74/63/188167463.db2.gz GOBMYBGPYNMONB-SECBINFHSA-N 2 0 213.325 0.372 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1CC[NH2+]C1 ZINC000236648420 188148481 /nfs/dbraw/zinc/14/84/81/188148481.db2.gz PPSRTCJDBLZVAC-UWVGGRQHSA-N 2 0 213.325 0.086 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(C)(C)[NH3+] ZINC000236813895 188148601 /nfs/dbraw/zinc/14/86/01/188148601.db2.gz FENGGLMFKUVZSV-SECBINFHSA-N 2 0 215.341 0.556 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NC1(C[NH3+])CCCCC1 ZINC000639000322 353248354 /nfs/dbraw/zinc/24/83/54/353248354.db2.gz QCWBBKKXZXLOBA-JTQLQIEISA-N 2 0 227.352 0.762 20 0 BCADRP C[NH2+]CCCC(=O)NC1(C[NH3+])CCCCC1 ZINC000639001335 353249815 /nfs/dbraw/zinc/24/98/15/353249815.db2.gz IDSFMVAEHOFDIY-UHFFFAOYSA-N 2 0 227.352 0.764 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000365093497 188178092 /nfs/dbraw/zinc/17/80/92/188178092.db2.gz LCXLZRMRPZXILZ-GVXVVHGQSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000365093498 188178817 /nfs/dbraw/zinc/17/88/17/188178817.db2.gz LCXLZRMRPZXILZ-MDZLAQPJSA-N 2 0 239.363 0.700 20 0 BCADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)NCC2CC2)C1 ZINC000070074111 353253502 /nfs/dbraw/zinc/25/35/02/353253502.db2.gz ANNRXCXAEXSQAJ-GFCCVEGCSA-N 2 0 239.363 0.573 20 0 BCADRP C[NH+](C)CC(=O)NC1(C[NH3+])CCCCC1 ZINC000638996194 353239721 /nfs/dbraw/zinc/23/97/21/353239721.db2.gz BKWYTFUSHZGICK-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC1(C[NH3+])CCCCC1 ZINC000638996201 353239839 /nfs/dbraw/zinc/23/98/39/353239839.db2.gz BOHSZEMPPMBMSC-JTQLQIEISA-N 2 0 227.352 0.892 20 0 BCADRP CO[C@H](C[NH3+])CC(=O)NC1(C[NH3+])CCCCC1 ZINC000638996951 353242584 /nfs/dbraw/zinc/24/25/84/353242584.db2.gz RRPMBOUIWMHHSR-JTQLQIEISA-N 2 0 243.351 0.128 20 0 BCADRP C[C@H](C(=O)NC1(C[NH3+])CCCCC1)[NH+](C)C ZINC000638997132 353243083 /nfs/dbraw/zinc/24/30/83/353243083.db2.gz ACBFUCWPNBLFLU-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+]CC1(CC(=O)NC2(C[NH3+])CCCCC2)CC1 ZINC000638997452 353243901 /nfs/dbraw/zinc/24/39/01/353243901.db2.gz IRWVOBVORAYGAM-UHFFFAOYSA-N 2 0 239.363 0.893 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000627074242 363211573 /nfs/dbraw/zinc/21/15/73/363211573.db2.gz UKBGHCDASUBJRM-HBNTYKKESA-N 2 0 240.351 0.036 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000639019001 353275198 /nfs/dbraw/zinc/27/51/98/353275198.db2.gz AZVIYNUVOGSASP-KKOKHZNYSA-N 2 0 237.347 0.324 20 0 BCADRP CC[N@H+](C)CCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000250094969 353267443 /nfs/dbraw/zinc/26/74/43/353267443.db2.gz XQFSPHINTJASGN-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000352711300 188232330 /nfs/dbraw/zinc/23/23/30/188232330.db2.gz AKEYFXSZXCYMQK-NSHDSACASA-N 2 0 244.383 0.576 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639028259 353288716 /nfs/dbraw/zinc/28/87/16/353288716.db2.gz XSZIJIUNLAFHQC-DCAQKATOSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639030148 353291786 /nfs/dbraw/zinc/29/17/86/353291786.db2.gz CAORYMWPYQGHAZ-OPRDCNLKSA-N 2 0 213.325 0.500 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639029399 353295757 /nfs/dbraw/zinc/29/57/57/353295757.db2.gz AGGXNSPHIOHVKG-GUBZILKMSA-N 2 0 213.325 0.371 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000639021773 353279880 /nfs/dbraw/zinc/27/98/80/353279880.db2.gz JBZSVIDCFSTBNK-GMTAPVOTSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000639031777 353300718 /nfs/dbraw/zinc/30/07/18/353300718.db2.gz WNTHCJBYRMBMRR-ILAIQSSSSA-N 2 0 223.320 0.123 20 0 BCADRP C[C@@]1(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CCC[NH2+]1 ZINC000639030580 353302717 /nfs/dbraw/zinc/30/27/17/353302717.db2.gz JIOWMMIZQDRFSA-NHCYSSNCSA-N 2 0 225.336 0.515 20 0 BCADRP O[C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)C[C@H]12 ZINC000252841690 353312189 /nfs/dbraw/zinc/31/21/89/353312189.db2.gz APCRVSADWOGUKO-QNWHQSFQSA-N 2 0 224.348 0.689 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)[NH+](C)C ZINC000639043582 353324191 /nfs/dbraw/zinc/32/41/91/353324191.db2.gz UBWRVBVHRPGGKH-IJLUTSLNSA-N 2 0 241.379 0.959 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000165381179 353326557 /nfs/dbraw/zinc/32/65/57/353326557.db2.gz NAWJRUGVSFKBAI-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC1CC[NH+](C)CC1 ZINC000165390645 353328735 /nfs/dbraw/zinc/32/87/35/353328735.db2.gz LCTRCRNDIIHOPA-VHSXEESVSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCC1C[NH2+]C1 ZINC000334503497 353350589 /nfs/dbraw/zinc/35/05/89/353350589.db2.gz NNTIDAUPWWHBAA-ZYHUDNBSSA-N 2 0 225.336 0.230 20 0 BCADRP OC1(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000085283265 538116319 /nfs/dbraw/zinc/11/63/19/538116319.db2.gz MTTRUJGSUFTGNJ-GHMZBOCLSA-N 2 0 210.321 0.443 20 0 BCADRP c1cn(CCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000085283255 538116422 /nfs/dbraw/zinc/11/64/22/538116422.db2.gz FZNNXRSMZWIPIG-VXGBXAGGSA-N 2 0 220.320 0.424 20 0 BCADRP c1cn(CCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000085283253 538116447 /nfs/dbraw/zinc/11/64/47/538116447.db2.gz FZNNXRSMZWIPIG-TXEJJXNPSA-N 2 0 220.320 0.424 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627079004 363223290 /nfs/dbraw/zinc/22/32/90/363223290.db2.gz UBDTZVWGLRXCGA-MXWKQRLJSA-N 2 0 240.351 0.165 20 0 BCADRP CC[NH+]1CCC(NC(=O)C(C)(C)C[NH3+])CC1 ZINC000133145962 353399222 /nfs/dbraw/zinc/39/92/22/353399222.db2.gz OMJNHMGZTHHQNE-UHFFFAOYSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627081854 363228058 /nfs/dbraw/zinc/22/80/58/363228058.db2.gz UQQVHFQTZGLLGO-KXUCPTDWSA-N 2 0 228.340 0.021 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000165687787 353453143 /nfs/dbraw/zinc/45/31/43/353453143.db2.gz CBQHFVYONRBHMQ-VXGBXAGGSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627082087 363231535 /nfs/dbraw/zinc/23/15/35/363231535.db2.gz BKFQNEINSACMKO-BBBLOLIVSA-N 2 0 228.340 0.163 20 0 BCADRP COCCC[N@H+](C)CCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000192120239 353544029 /nfs/dbraw/zinc/54/40/29/353544029.db2.gz KSANWLZMZJMFJR-GHMZBOCLSA-N 2 0 245.367 0.054 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192121868 353544161 /nfs/dbraw/zinc/54/41/61/353544161.db2.gz RFFKIWUPCLCCGI-WDEREUQCSA-N 2 0 229.368 0.818 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627082648 363233456 /nfs/dbraw/zinc/23/34/56/363233456.db2.gz METIJBNVKFWDPY-VHSXEESVSA-N 2 0 240.351 0.308 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000193298977 353589133 /nfs/dbraw/zinc/58/91/33/353589133.db2.gz MOWZMTUENHNZKD-NWDGAFQWSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193501817 353596836 /nfs/dbraw/zinc/59/68/36/353596836.db2.gz WPNMIOZTSSZVFS-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP CCN(CC[NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000627084621 363237716 /nfs/dbraw/zinc/23/77/16/363237716.db2.gz XHCHONAQLJWFJX-GFCCVEGCSA-N 2 0 242.367 0.366 20 0 BCADRP CC[C@@H](C(=O)N(C)CC[NH+]1CCCC1)[NH+](C)C ZINC000162958420 324171148 /nfs/dbraw/zinc/17/11/48/324171148.db2.gz VLFFKRXSGVXHQN-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000627086545 363240042 /nfs/dbraw/zinc/24/00/42/363240042.db2.gz VJTOOPZJNBQWNQ-MMWGEVLESA-N 2 0 240.351 0.034 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc(C[NH3+])c1 ZINC000231720215 353647488 /nfs/dbraw/zinc/64/74/88/353647488.db2.gz ZCFPKCVYKDOSDH-LBPRGKRZSA-N 2 0 248.330 0.364 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN1CCSCC1 ZINC000577878614 366095240 /nfs/dbraw/zinc/09/52/40/366095240.db2.gz PWDPGFWDEIOYBT-SECBINFHSA-N 2 0 204.339 0.006 20 0 BCADRP CO[C@@H](C[NH3+])CC(=O)NCC(C)(C)C[NH+](C)C ZINC000232110843 353695007 /nfs/dbraw/zinc/69/50/07/353695007.db2.gz XBFSRVBMPBYLJU-SNVBAGLBSA-N 2 0 245.367 0.054 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC/C=C/C[NH3+] ZINC000627092697 363250605 /nfs/dbraw/zinc/25/06/05/363250605.db2.gz DAIFOTVZIJIVFA-UFFNRZRYSA-N 2 0 240.351 0.141 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C1([NH3+])CC1 ZINC000083835730 353711619 /nfs/dbraw/zinc/71/16/19/353711619.db2.gz RVRHMCZTSVWEOK-UHFFFAOYSA-N 2 0 213.325 0.278 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627094220 363252261 /nfs/dbraw/zinc/25/22/61/363252261.db2.gz ZMMQAVRIYKOFFX-GARJFASQSA-N 2 0 242.367 0.554 20 0 BCADRP C[C@H]([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000195161360 353729906 /nfs/dbraw/zinc/72/99/06/353729906.db2.gz LKXQVZZCFGWZCB-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP CCC[NH+]1CCC(CNC(=O)[C@@H](C)[NH3+])CC1 ZINC000165865177 353755742 /nfs/dbraw/zinc/75/57/42/353755742.db2.gz YCUOKGUJRQZAJO-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000083847051 353780604 /nfs/dbraw/zinc/78/06/04/353780604.db2.gz BZKFLIWRZAZGSG-YEJSDXFRSA-N 2 0 212.337 0.972 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1c[nH]cn1 ZINC000353811798 353741913 /nfs/dbraw/zinc/74/19/13/353741913.db2.gz FBUDNHAGPKEZOS-WDEREUQCSA-N 2 0 236.319 0.660 20 0 BCADRP CC(C)[N@@H+](C)CCN[C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000229204265 188514103 /nfs/dbraw/zinc/51/41/03/188514103.db2.gz BDTXXNBFRRMVKL-STQMWFEESA-N 2 0 243.395 0.683 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000220087572 353816556 /nfs/dbraw/zinc/81/65/56/353816556.db2.gz XHCJYEMXDPKYJV-QWRGUYRKSA-N 2 0 241.379 0.688 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000627103988 363263567 /nfs/dbraw/zinc/26/35/67/363263567.db2.gz YNLWYPTZLXYCTG-ZRUFSTJUSA-N 2 0 240.351 0.163 20 0 BCADRP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000178408532 366115271 /nfs/dbraw/zinc/11/52/71/366115271.db2.gz FNCRVRADUOAESA-WDEREUQCSA-N 2 0 225.336 0.102 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000627108355 363267149 /nfs/dbraw/zinc/26/71/49/363267149.db2.gz SVQTXNUZQZLZCP-BDAKNGLRSA-N 2 0 216.329 0.102 20 0 BCADRP O=C([C@H]1CCC[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000343435350 353885993 /nfs/dbraw/zinc/88/59/93/353885993.db2.gz BSIIBGWJIXOWKD-SDDRHHMPSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000343435239 353886285 /nfs/dbraw/zinc/88/62/85/353886285.db2.gz BJIZOZFQYQFSAK-YFKTTZPYSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1C[C@H](O)C[NH+]1CCC[N@H+]1C[C@@H](O)C[C@H]1C ZINC000343454333 353894275 /nfs/dbraw/zinc/89/42/75/353894275.db2.gz UKCVONJLOHOZQH-NDBYEHHHSA-N 2 0 242.363 0.287 20 0 BCADRP C[C@@H]1C[C@@H](O)C[NH+]1CCC[N@H+]1C[C@@H](O)C[C@H]1C ZINC000343454332 353894475 /nfs/dbraw/zinc/89/44/75/353894475.db2.gz UKCVONJLOHOZQH-LPWJVIDDSA-N 2 0 242.363 0.287 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCC1CCC(C[NH3+])CC1 ZINC000343598724 353930503 /nfs/dbraw/zinc/93/05/03/353930503.db2.gz CPDUXZOESVTBLV-UHFFFAOYSA-N 2 0 241.379 0.853 20 0 BCADRP [NH3+]CC1CCC(CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000343609515 353932207 /nfs/dbraw/zinc/93/22/07/353932207.db2.gz WMVQLTBKNNDOAG-MCIGGMRASA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000343466945 353898610 /nfs/dbraw/zinc/89/86/10/353898610.db2.gz WDCRTVMRLSQLHX-DCAQKATOSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000343785224 353991314 /nfs/dbraw/zinc/99/13/14/353991314.db2.gz OGTIIMSJFAOPIC-GFCCVEGCSA-N 2 0 235.331 0.711 20 0 BCADRP CC(C)([NH3+])CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000364129283 188530759 /nfs/dbraw/zinc/53/07/59/188530759.db2.gz SKKPQQNGPZJYKZ-AOOOYVTPSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@]12CCC[C@H]1C[NH2+]C2 ZINC000343648311 353953695 /nfs/dbraw/zinc/95/36/95/353953695.db2.gz VNHLPWCEGAGZJG-LSCVPOLPSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627126357 363294318 /nfs/dbraw/zinc/29/43/18/363294318.db2.gz RRMGKSLPTMJGSO-UWVGGRQHSA-N 2 0 240.351 0.308 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627121125 363288671 /nfs/dbraw/zinc/28/86/71/363288671.db2.gz WAXXIVPUSZXKTB-UTLUCORTSA-N 2 0 228.340 0.034 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)CC[NH2+]C ZINC000230710463 363321367 /nfs/dbraw/zinc/32/13/67/363321367.db2.gz QLXIVSMBAQEGNW-UHFFFAOYSA-N 2 0 215.341 0.396 20 0 BCADRP CC[NH+]1CCC(NC(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000038098260 358484003 /nfs/dbraw/zinc/48/40/03/358484003.db2.gz OQSVKCBNHRRIFA-GFCCVEGCSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH+](CC)CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449680145 202001493 /nfs/dbraw/zinc/00/14/93/202001493.db2.gz GBTHEGHFTLTTRK-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP CN(C(=O)CC[C@@H]1CCC[NH2+]1)C1(C[NH3+])CCC1 ZINC000449684043 202002165 /nfs/dbraw/zinc/00/21/65/202002165.db2.gz KLNDSWILCMPBSW-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1(C[NH3+])CCC1 ZINC000449689468 202002273 /nfs/dbraw/zinc/00/22/73/202002273.db2.gz ZMAGIWPLVQAKKE-WDEREUQCSA-N 2 0 239.363 0.714 20 0 BCADRP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000449684337 202003015 /nfs/dbraw/zinc/00/30/15/202003015.db2.gz KOAYDVFDRSNVIQ-NWDGAFQWSA-N 2 0 239.363 0.777 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)[NH+](C)C ZINC000449723776 202008441 /nfs/dbraw/zinc/00/84/41/202008441.db2.gz MEJWKWBDAFGUBC-WOPDTQHZSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CC[C@H](C[NH3+])C1)[NH+](C)C ZINC000449723770 202008728 /nfs/dbraw/zinc/00/87/28/202008728.db2.gz MEJWKWBDAFGUBC-SDDRHHMPSA-N 2 0 241.379 0.816 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000449722365 202009534 /nfs/dbraw/zinc/00/95/34/202009534.db2.gz KRDACPGPKUOLKF-WDEREUQCSA-N 2 0 241.379 0.995 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449725929 202009761 /nfs/dbraw/zinc/00/97/61/202009761.db2.gz JLWNIGJBRLJVLO-QJPTWQEYSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@]1(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000449729485 202011980 /nfs/dbraw/zinc/01/19/80/202011980.db2.gz ZWIRIUISUWAGFX-GMXVVIOVSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCNCC2)CC[NH2+]1 ZINC000334587633 354213514 /nfs/dbraw/zinc/21/35/14/354213514.db2.gz YBOOIXLJDBRRSY-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP [NH3+][C@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000334588779 354216030 /nfs/dbraw/zinc/21/60/30/354216030.db2.gz XKCRJJJICXLCLX-RYUDHWBXSA-N 2 0 211.353 0.799 20 0 BCADRP CN(C)CC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000344625077 354328867 /nfs/dbraw/zinc/32/88/67/354328867.db2.gz WEUVQZIMRLGNNN-NSHDSACASA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)C1([NH3+])CCCCC1 ZINC000334621318 354358657 /nfs/dbraw/zinc/35/86/57/354358657.db2.gz SWXMXOXLBVCZBD-RKDXNWHRSA-N 2 0 213.325 0.500 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000449750033 202019188 /nfs/dbraw/zinc/01/91/88/202019188.db2.gz HQHLGTOQMXNPPR-AXFHLTTASA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000578014223 366179729 /nfs/dbraw/zinc/17/97/29/366179729.db2.gz DMAQLVMMTPLMSS-CMPLNLGQSA-N 2 0 235.331 0.930 20 0 BCADRP C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000578013525 366180390 /nfs/dbraw/zinc/18/03/90/366180390.db2.gz RJWSQKWNLQNJHU-QWHCGFSZSA-N 2 0 241.379 0.378 20 0 BCADRP CCCN(C(=O)C[NH2+]C1CC1)[C@@H]1CC[NH2+]C1 ZINC000178907764 366180613 /nfs/dbraw/zinc/18/06/13/366180613.db2.gz VBVLFZNZUFPYNK-LLVKDONJSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000179026537 366199636 /nfs/dbraw/zinc/19/96/36/366199636.db2.gz QKPICYRWDAEWLV-MNOVXSKESA-N 2 0 227.352 0.428 20 0 BCADRP CC[N@H+](CC(=O)NCCC[NH+](C)C)C1CC1 ZINC000179038839 366200607 /nfs/dbraw/zinc/20/06/07/366200607.db2.gz OYMJGTAZIYUWDT-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CN(C(=O)C1(C[NH3+])CCCC1)[C@@H]1CC[NH2+]C1 ZINC000179064572 366202365 /nfs/dbraw/zinc/20/23/65/366202365.db2.gz FOFBBIQLMGAGFS-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000334659951 354457473 /nfs/dbraw/zinc/45/74/73/354457473.db2.gz IBMXSADSPUHIMV-UWVGGRQHSA-N 2 0 225.336 0.385 20 0 BCADRP CN(C(=O)C1([NH3+])CCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000334662389 354462693 /nfs/dbraw/zinc/46/26/93/354462693.db2.gz OCCJQTWPOZXLKZ-NSHDSACASA-N 2 0 237.347 0.563 20 0 BCADRP CN(C(=O)C1([NH3+])CCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000334662388 354462840 /nfs/dbraw/zinc/46/28/40/354462840.db2.gz OCCJQTWPOZXLKZ-LLVKDONJSA-N 2 0 237.347 0.563 20 0 BCADRP C[C@]1(F)CNCCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000334663875 354464563 /nfs/dbraw/zinc/46/45/63/354464563.db2.gz YLKHATNZXGQCCE-JQWIXIFHSA-N 2 0 243.326 0.274 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000334763778 354584646 /nfs/dbraw/zinc/58/46/46/354584646.db2.gz ICYYMWXOYMSLDS-RYUDHWBXSA-N 2 0 239.363 0.716 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000345727900 354745239 /nfs/dbraw/zinc/74/52/39/354745239.db2.gz VMWADROSIWFWHX-PWSUYJOCSA-N 2 0 227.352 0.620 20 0 BCADRP CN(C)C(=O)CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000345709070 354755708 /nfs/dbraw/zinc/75/57/08/354755708.db2.gz HUJXEBFYRMDHNN-LBPRGKRZSA-N 2 0 241.379 0.738 20 0 BCADRP CC(C)COCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000232689071 363380172 /nfs/dbraw/zinc/38/01/72/363380172.db2.gz IHLXFKQPXKJQEU-TXEJJXNPSA-N 2 0 212.337 0.810 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000389573697 354820869 /nfs/dbraw/zinc/82/08/69/354820869.db2.gz CUSVMONMWIQQNY-VGMNWLOBSA-N 2 0 201.314 0.084 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC(C)(C)C[NH3+] ZINC000627158819 363399087 /nfs/dbraw/zinc/39/90/87/363399087.db2.gz FHSBLCFGDVOLOE-DTWKUNHWSA-N 2 0 228.340 0.163 20 0 BCADRP COC[C@](C)(O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000639217194 354867610 /nfs/dbraw/zinc/86/76/10/354867610.db2.gz QVDQJTDIUHZZCX-JHJVBQTASA-N 2 0 244.379 0.846 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)C ZINC000346141773 354871176 /nfs/dbraw/zinc/87/11/76/354871176.db2.gz RJYATBBAACWZIA-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](O)C2)[C@H](C)C1 ZINC000449750952 202020621 /nfs/dbraw/zinc/02/06/21/202020621.db2.gz KIDIEYJJHBGPEF-WYUUTHIRSA-N 2 0 212.337 0.830 20 0 BCADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)C1CC1 ZINC000235210691 363439888 /nfs/dbraw/zinc/43/98/88/363439888.db2.gz UBCYIKVOPLFOHC-SNVBAGLBSA-N 2 0 200.326 0.953 20 0 BCADRP C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000335228098 355070209 /nfs/dbraw/zinc/07/02/09/355070209.db2.gz JCZBBWRZUGMKOQ-WPRPVWTQSA-N 2 0 211.309 0.029 20 0 BCADRP Cn1nccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335231012 355074038 /nfs/dbraw/zinc/07/40/38/355074038.db2.gz QFZDJPPLHKJQHD-UHFFFAOYSA-N 2 0 234.347 0.996 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000335184905 355083474 /nfs/dbraw/zinc/08/34/74/355083474.db2.gz AOQFDIRYTOEJDL-NWDGAFQWSA-N 2 0 237.347 0.196 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000335215366 355053586 /nfs/dbraw/zinc/05/35/86/355053586.db2.gz HXVFLOAGIUCXIV-YPMHNXCESA-N 2 0 237.347 0.150 20 0 BCADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CC[NH+](C)C1 ZINC000335217906 355056371 /nfs/dbraw/zinc/05/63/71/355056371.db2.gz NMUJAGYVLHOHOX-RYUDHWBXSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000335218908 355058154 /nfs/dbraw/zinc/05/81/54/355058154.db2.gz IUDKZJZOLCROLU-MRVPVSSYSA-N 2 0 219.288 0.618 20 0 BCADRP c1ncn([C@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000346825737 355126715 /nfs/dbraw/zinc/12/67/15/355126715.db2.gz LKDQNMDYZUSJGR-STQMWFEESA-N 2 0 249.362 0.915 20 0 BCADRP CC(C)([NH3+])C[NH+]1CCC(CCC(N)=O)CC1 ZINC000346957624 355168106 /nfs/dbraw/zinc/16/81/06/355168106.db2.gz CTSXKSGAPVFJBB-UHFFFAOYSA-N 2 0 227.352 0.701 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000346831269 355128537 /nfs/dbraw/zinc/12/85/37/355128537.db2.gz KISPVCXGFFORLG-LLVKDONJSA-N 2 0 226.320 0.481 20 0 BCADRP C[NH+](C)C[C@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000346842134 355134219 /nfs/dbraw/zinc/13/42/19/355134219.db2.gz WPCZKKNERTWWAR-ZDUSSCGKSA-N 2 0 241.379 0.248 20 0 BCADRP CC[C@H]1CN(CC(C)(C)[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000346844845 355135706 /nfs/dbraw/zinc/13/57/06/355135706.db2.gz LWQDZXSZQVDQOW-NEPJUHHUSA-N 2 0 243.395 0.501 20 0 BCADRP C[C@@H](O)C[N@@H+]1CCN(CC(C)(C)[NH3+])C[C@@H]1C ZINC000346848362 355136865 /nfs/dbraw/zinc/13/68/65/355136865.db2.gz QEKDCJGSPKVHKE-WDEREUQCSA-N 2 0 229.368 0.111 20 0 BCADRP NC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346850251 355137454 /nfs/dbraw/zinc/13/74/54/355137454.db2.gz PUJYHNBPWYFGTG-VXGBXAGGSA-N 2 0 239.363 0.716 20 0 BCADRP NC(=O)C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346850241 355137876 /nfs/dbraw/zinc/13/78/76/355137876.db2.gz PUJYHNBPWYFGTG-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP COCCOC[C@H]1CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000346970823 355207692 /nfs/dbraw/zinc/20/76/92/355207692.db2.gz GGGUXUVCPDONRD-NSHDSACASA-N 2 0 230.352 0.709 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)N1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000346985979 355187288 /nfs/dbraw/zinc/18/72/88/355187288.db2.gz RHFLOYWWLVUHHK-JHJVBQTASA-N 2 0 223.364 0.670 20 0 BCADRP NC(=O)C[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000347002294 355200830 /nfs/dbraw/zinc/20/08/30/355200830.db2.gz ITEJVSYYUJIXGT-NWDGAFQWSA-N 2 0 239.363 0.573 20 0 BCADRP Cn1nnc2cc(CN3CCC[C@@H]3C[NH3+])ccc21 ZINC000347015447 355205427 /nfs/dbraw/zinc/20/54/27/355205427.db2.gz JGRZJGIHDQLGJL-LLVKDONJSA-N 2 0 245.330 0.891 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000347685309 355269396 /nfs/dbraw/zinc/26/93/96/355269396.db2.gz LCBCJRUMEVTCLL-LPEHRKFASA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000335288091 355258169 /nfs/dbraw/zinc/25/81/69/355258169.db2.gz LAGCQBROKFVYKJ-MNOVXSKESA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000335288090 355258233 /nfs/dbraw/zinc/25/82/33/355258233.db2.gz LAGCQBROKFVYKJ-GHMZBOCLSA-N 2 0 242.367 0.459 20 0 BCADRP Cn1ncnc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000639256847 355301232 /nfs/dbraw/zinc/30/12/32/355301232.db2.gz GJGIBTWPYDUJRR-LLVKDONJSA-N 2 0 237.351 0.637 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)[NH+](C)C ZINC000432510985 491077692 /nfs/dbraw/zinc/07/76/92/491077692.db2.gz BNSAPEQLJIOMHQ-SDDRHHMPSA-N 2 0 241.379 0.687 20 0 BCADRP NC(=[NH2+])NCCN1CCc2ccccc2C1 ZINC000071520836 181189295 /nfs/dbraw/zinc/18/92/95/181189295.db2.gz IQUJEJAKSOMBMK-UHFFFAOYSA-N 2 0 218.304 0.528 20 0 BCADRP C[C@H]1CN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC[NH2+]1 ZINC000335786636 355436141 /nfs/dbraw/zinc/43/61/41/355436141.db2.gz QBYQRMKPRCYJES-JTQLQIEISA-N 2 0 245.326 0.724 20 0 BCADRP [NH3+]CCC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000335813561 355501165 /nfs/dbraw/zinc/50/11/65/355501165.db2.gz BBIXLKXUZNMJGD-NSHDSACASA-N 2 0 225.336 0.183 20 0 BCADRP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC[NH2+]CC1 ZINC000335794759 355450291 /nfs/dbraw/zinc/45/02/91/355450291.db2.gz MYOCHWSGIYFQNJ-UONOGXRCSA-N 3 0 237.391 0.917 20 0 BCADRP COCCC[N@H+](CCO)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414742992 191559625 /nfs/dbraw/zinc/55/96/25/191559625.db2.gz GUOSIPNSVBUAAF-CHWSQXEVSA-N 2 0 244.379 0.705 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000582171159 355487991 /nfs/dbraw/zinc/48/79/91/355487991.db2.gz PWCHKFRTSBLEPW-GARJFASQSA-N 2 0 225.336 0.195 20 0 BCADRP COC[C@H](CC(C)C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415048987 191653303 /nfs/dbraw/zinc/65/33/03/191653303.db2.gz ZYGBAFONZFFMOR-NNYUYHANSA-N 2 0 212.337 0.855 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000335829773 355555122 /nfs/dbraw/zinc/55/51/22/355555122.db2.gz YBYMKCJSSUEWAP-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000335829748 355555140 /nfs/dbraw/zinc/55/51/40/355555140.db2.gz URTHGTBFDIMSRS-RYUDHWBXSA-N 2 0 233.315 0.507 20 0 BCADRP CCN(C)C(=O)[C@H](C)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415104730 191680751 /nfs/dbraw/zinc/68/07/51/191680751.db2.gz LJGKDPAENSUJHX-WOPDTQHZSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]CCCN(C)C[C@H]([NH3+])CC(C)C ZINC000415121943 191685195 /nfs/dbraw/zinc/68/51/95/191685195.db2.gz IWNIUOCBZQJYMV-LLVKDONJSA-N 2 0 201.358 0.901 20 0 BCADRP CCCN(C(=O)CC[NH2+]C)C1CC[NH2+]CC1 ZINC000583563670 355613631 /nfs/dbraw/zinc/61/36/31/355613631.db2.gz QRAQGSLMRLVJRN-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP [NH3+]CC1(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CCCC1 ZINC000335839348 355569124 /nfs/dbraw/zinc/56/91/24/355569124.db2.gz MFJFQCJFTCFEAY-ZYHUDNBSSA-N 2 0 237.347 0.374 20 0 BCADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000349986192 355570475 /nfs/dbraw/zinc/57/04/75/355570475.db2.gz IKQKZMWWRKHJOQ-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000416998014 191772464 /nfs/dbraw/zinc/77/24/64/191772464.db2.gz AOOZQCJDEKTWEC-MNOVXSKESA-N 2 0 244.383 0.753 20 0 BCADRP C[C@H](CNC(=O)N[C@@H](C)C[NH3+])C[NH+]1CCCC1 ZINC000417130459 191779732 /nfs/dbraw/zinc/77/97/32/191779732.db2.gz BNONLVSDRBEQDN-MNOVXSKESA-N 2 0 242.367 0.365 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000336005286 134048928 /nfs/dbraw/zinc/04/89/28/134048928.db2.gz NFTGNPLVSHYGKK-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000582190965 355700224 /nfs/dbraw/zinc/70/02/24/355700224.db2.gz JRFVHEWVONPNTQ-GFCCVEGCSA-N 2 0 225.336 0.326 20 0 BCADRP CCN1C[C@@H](C)[C@@H]([NH2+][C@@H](C)CN(C)C)C1 ZINC000380314251 355703379 /nfs/dbraw/zinc/70/33/79/355703379.db2.gz IGSZBRODQJTBLU-WOPDTQHZSA-N 2 0 213.369 0.866 20 0 BCADRP CC[NH+](CC)CCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000416785929 191758806 /nfs/dbraw/zinc/75/88/06/191758806.db2.gz BWPNQLAAIJCSFA-NSHDSACASA-N 2 0 242.367 0.365 20 0 BCADRP CC(C)NC(=O)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335890458 355683498 /nfs/dbraw/zinc/68/34/98/355683498.db2.gz OMFUHFGBLNHLEO-ZDUSSCGKSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](C)CC[NH3+] ZINC000417317703 191792757 /nfs/dbraw/zinc/79/27/57/191792757.db2.gz JOFULTPWQHSXHN-VHSXEESVSA-N 2 0 230.356 0.363 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)C[NH3+] ZINC000417443969 191842720 /nfs/dbraw/zinc/84/27/20/191842720.db2.gz BMBJOYOOTNGKMX-VHSXEESVSA-N 2 0 230.356 0.363 20 0 BCADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000336032516 134058521 /nfs/dbraw/zinc/05/85/21/134058521.db2.gz SAOBIEZTGZOSOZ-YPMHNXCESA-N 2 0 239.363 0.844 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000336036094 134060037 /nfs/dbraw/zinc/06/00/37/134060037.db2.gz CKNOLKRYKWPDRH-GXSJLCMTSA-N 2 0 225.336 0.324 20 0 BCADRP CC[NH2+]CCCNC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000583614540 355832297 /nfs/dbraw/zinc/83/22/97/355832297.db2.gz PMHAXZAKCCGORR-MNOVXSKESA-N 2 0 242.367 0.365 20 0 BCADRP CC[NH2+]CCCNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000583614539 355832619 /nfs/dbraw/zinc/83/26/19/355832619.db2.gz PMHAXZAKCCGORR-GHMZBOCLSA-N 2 0 242.367 0.365 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000583631927 355941529 /nfs/dbraw/zinc/94/15/29/355941529.db2.gz IAWZNRUYPUFDGQ-RNFRBKRXSA-N 2 0 239.241 0.134 20 0 BCADRP C[N@@H+]1CC[C@@H]([NH+](CCO)CCO)CC1(C)C ZINC000628370598 355883371 /nfs/dbraw/zinc/88/33/71/355883371.db2.gz MQRVWEIAYHBHGJ-LLVKDONJSA-N 2 0 230.352 0.146 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C1([NH3+])CC1 ZINC000167322065 355991025 /nfs/dbraw/zinc/99/10/25/355991025.db2.gz CBBGEVOFXZLBPX-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000417803860 191930186 /nfs/dbraw/zinc/93/01/86/191930186.db2.gz FWKMIQRDSJOZQG-BBBLOLIVSA-N 2 0 213.325 0.228 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCC[NH3+])C1 ZINC000417818734 191930682 /nfs/dbraw/zinc/93/06/82/191930682.db2.gz BHRKDEINYHYEQF-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H](C(=O)N(C)CC[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000417825329 191931819 /nfs/dbraw/zinc/93/18/19/191931819.db2.gz BBDFHLIMLSJPTD-ZYHUDNBSSA-N 2 0 235.331 0.740 20 0 BCADRP C[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000417836990 191934320 /nfs/dbraw/zinc/93/43/20/191934320.db2.gz MDBITOVOIIZNDV-AXFHLTTASA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C[C@H]1[NH3+] ZINC000417846238 191936586 /nfs/dbraw/zinc/93/65/86/191936586.db2.gz YJXUGUOGOYRYTO-NOOOWODRSA-N 2 0 239.363 0.700 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000167199976 355969508 /nfs/dbraw/zinc/96/95/08/355969508.db2.gz VAPZJBPQGBBNLQ-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP C[NH+](C)CC1(CNC(=O)NCC[NH3+])CCCC1 ZINC000418021552 191954839 /nfs/dbraw/zinc/95/48/39/191954839.db2.gz JNBCJAZJDMENTA-UHFFFAOYSA-N 2 0 242.367 0.366 20 0 BCADRP CCN(C(=O)[C@H](C)[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000617553550 356110954 /nfs/dbraw/zinc/11/09/54/356110954.db2.gz KLRJHCCBJYORRN-QWRGUYRKSA-N 2 0 227.352 0.489 20 0 BCADRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](C)C1 ZINC000617555107 356112014 /nfs/dbraw/zinc/11/20/14/356112014.db2.gz PZRFTTSESBFCKY-RYUDHWBXSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H](C)C[NH+](C)C ZINC000418203806 191995668 /nfs/dbraw/zinc/99/56/68/191995668.db2.gz KQAMLLGCMHOSPE-WDEREUQCSA-N 2 0 244.383 0.609 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000351746864 356079139 /nfs/dbraw/zinc/07/91/39/356079139.db2.gz HWMLFGWYIYLFQT-QJPTWQEYSA-N 2 0 241.379 0.768 20 0 BCADRP C[C@@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+](C)C ZINC000418246351 192004490 /nfs/dbraw/zinc/00/44/90/192004490.db2.gz CGEDSOGUOFVBMT-OUAUKWLOSA-N 2 0 242.367 0.234 20 0 BCADRP C[C@@H](CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)[NH+](C)C ZINC000418246344 192004580 /nfs/dbraw/zinc/00/45/80/192004580.db2.gz CGEDSOGUOFVBMT-DCAQKATOSA-N 2 0 242.367 0.234 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@H](C)[NH+](C)C ZINC000418257286 192005590 /nfs/dbraw/zinc/00/55/90/192005590.db2.gz MVXGLJISWMJPCE-WDEREUQCSA-N 2 0 244.383 0.753 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)NC[C@H](C)[NH+](C)C ZINC000418264428 192009034 /nfs/dbraw/zinc/00/90/34/192009034.db2.gz SNBQTMDSBCIXKO-ZJUUUORDSA-N 2 0 230.356 0.234 20 0 BCADRP C[C@@H](CNC(=O)N(C)CC(C)(C)C[NH3+])[NH+](C)C ZINC000418270919 192010095 /nfs/dbraw/zinc/01/00/95/192010095.db2.gz ZNDJPDRCMGIGDS-JTQLQIEISA-N 2 0 244.383 0.563 20 0 BCADRP Cn1nccc1CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335917777 356163347 /nfs/dbraw/zinc/16/33/47/356163347.db2.gz KNJMMADCVCCTHG-AWEZNQCLSA-N 2 0 248.374 0.990 20 0 BCADRP C[NH2+]CCCNC(=O)NC(C)(C)C[NH+](C)C ZINC000418282190 192013842 /nfs/dbraw/zinc/01/38/42/192013842.db2.gz XDIJNAOHVDINRV-UHFFFAOYSA-N 2 0 230.356 0.235 20 0 BCADRP C[NH2+]CCNC(=O)NCC1([NH3+])CCCCC1 ZINC000418294956 192020263 /nfs/dbraw/zinc/02/02/63/192020263.db2.gz IPNGTEPZIOFJNA-UHFFFAOYSA-N 2 0 228.340 0.167 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCC[NH3+] ZINC000418311522 192021869 /nfs/dbraw/zinc/02/18/69/192021869.db2.gz LZGXHCGILSOYNC-JTQLQIEISA-N 2 0 230.356 0.350 20 0 BCADRP C[C@]1(CNC(=O)NCCC[NH3+])CCC[NH2+]C1 ZINC000418310371 192022176 /nfs/dbraw/zinc/02/21/76/192022176.db2.gz JQWBIUSFALZLBF-NSHDSACASA-N 2 0 228.340 0.024 20 0 BCADRP C[NH2+]CCNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000418313546 192022537 /nfs/dbraw/zinc/02/25/37/192022537.db2.gz CGXIVYVKYVSRAW-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP C[NH2+]CCNC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000418314541 192022872 /nfs/dbraw/zinc/02/28/72/192022872.db2.gz FGOHUQBUIAOUKK-JTQLQIEISA-N 2 0 230.356 0.221 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418314065 192022913 /nfs/dbraw/zinc/02/29/13/192022913.db2.gz DBQHCNIDGKNHTR-NXEZZACHSA-N 2 0 228.340 0.165 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418313957 192022922 /nfs/dbraw/zinc/02/29/22/192022922.db2.gz DAAUTHKTZUBZQJ-NSHDSACASA-N 2 0 242.367 0.413 20 0 BCADRP C[NH2+]CCNC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000418314542 192023028 /nfs/dbraw/zinc/02/30/28/192023028.db2.gz FGOHUQBUIAOUKK-SNVBAGLBSA-N 2 0 230.356 0.221 20 0 BCADRP CC[C@H](C)[NH+]1CCN(C(=O)NCC[NH2+]C)CC1 ZINC000418320698 192024064 /nfs/dbraw/zinc/02/40/64/192024064.db2.gz WEZZICNBDHNRNL-NSHDSACASA-N 2 0 242.367 0.332 20 0 BCADRP CC[NH2+]CCNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418320012 192024284 /nfs/dbraw/zinc/02/42/84/192024284.db2.gz SAJKOHRYYTWYSG-GHMZBOCLSA-N 2 0 242.367 0.413 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1([NH3+])CCCCC1 ZINC000336103576 134084084 /nfs/dbraw/zinc/08/40/84/134084084.db2.gz KQTYALODUYBDFA-QWRGUYRKSA-N 2 0 239.363 0.762 20 0 BCADRP Cc1nc(C)c(C)c(N2CCO[C@@H](C[NH3+])C2)n1 ZINC000420231568 192180846 /nfs/dbraw/zinc/18/08/46/192180846.db2.gz CASYBPXZZZLQSU-NSHDSACASA-N 2 0 236.319 0.566 20 0 BCADRP [NH3+]CCNC(=O)NCC1([NH3+])CCCCCC1 ZINC000418289536 192015886 /nfs/dbraw/zinc/01/58/86/192015886.db2.gz YCPQIYCUBVYAEA-UHFFFAOYSA-N 2 0 228.340 0.296 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420292650 192203587 /nfs/dbraw/zinc/20/35/87/192203587.db2.gz PTVGENXVUHWYOO-RYUDHWBXSA-N 3 0 211.353 0.670 20 0 BCADRP C[N@H+](CC[C@H]1CC[NH2+]C1)CC(C)(C)C[NH3+] ZINC000420291288 192204011 /nfs/dbraw/zinc/20/40/11/192204011.db2.gz NCNCBCKDGYTAEL-LLVKDONJSA-N 3 0 213.369 0.903 20 0 BCADRP CCOC(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420299641 192206145 /nfs/dbraw/zinc/20/61/45/192206145.db2.gz BDTDYRDENMTVOI-SRVKXCTJSA-N 2 0 240.347 0.999 20 0 BCADRP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420319226 192195285 /nfs/dbraw/zinc/19/52/85/192195285.db2.gz RINUTRYUKYXLHL-MELADBBJSA-N 3 0 237.391 0.917 20 0 BCADRP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000420319224 192195626 /nfs/dbraw/zinc/19/56/26/192195626.db2.gz RINUTRYUKYXLHL-IHRRRGAJSA-N 3 0 237.391 0.917 20 0 BCADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000069730637 491089558 /nfs/dbraw/zinc/08/95/58/491089558.db2.gz BIARQOXOYNUHEH-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CC[N@H+](CCC(=O)N(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000420302820 192207035 /nfs/dbraw/zinc/20/70/35/192207035.db2.gz CBVSEJQHCOKSQB-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CCOC(=O)CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000420303969 192206669 /nfs/dbraw/zinc/20/66/69/192206669.db2.gz IDXRSKFLKVBMLJ-AXFHLTTASA-N 2 0 226.320 0.609 20 0 BCADRP C[NH2+][C@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000420286842 192201488 /nfs/dbraw/zinc/20/14/88/192201488.db2.gz FUMKVGHKZUHOHD-RYUDHWBXSA-N 2 0 211.353 0.670 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)OC(C)C)C1 ZINC000420294453 192202990 /nfs/dbraw/zinc/20/29/90/192202990.db2.gz OMKIYBHJKZQBNS-LLVKDONJSA-N 2 0 228.336 0.869 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420316554 192213269 /nfs/dbraw/zinc/21/32/69/192213269.db2.gz YIYXZQIANOSCJS-VHSXEESVSA-N 2 0 214.309 0.609 20 0 BCADRP COCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329821 192214861 /nfs/dbraw/zinc/21/48/61/192214861.db2.gz PCAGPWOTFOHMMO-NEPJUHHUSA-N 2 0 212.337 0.954 20 0 BCADRP CC[N@H+](CCCO)CC[C@@H]1CC[NH2+]C1 ZINC000420302544 192207648 /nfs/dbraw/zinc/20/76/48/192207648.db2.gz MOAUJVOOIXINDG-NSHDSACASA-N 2 0 200.326 0.690 20 0 BCADRP COC[C@@](C)(CCO)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420307163 192208876 /nfs/dbraw/zinc/20/88/76/192208876.db2.gz RIAOJQMKBPPCTH-CHWSQXEVSA-N 2 0 244.379 0.753 20 0 BCADRP CC(C)[C@H]1C(=O)NCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420307583 192209800 /nfs/dbraw/zinc/20/98/00/192209800.db2.gz RLSDGOVOUSEVFN-NEPJUHHUSA-N 2 0 239.363 0.442 20 0 BCADRP C[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)C1CC([NH3+])C1 ZINC000420322520 192227525 /nfs/dbraw/zinc/22/75/25/192227525.db2.gz AHDRJKUPCIXQKQ-BPNZPQAUSA-N 2 0 239.363 0.271 20 0 BCADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420321696 192228027 /nfs/dbraw/zinc/22/80/27/192228027.db2.gz RKLHCFYLRXMXFM-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329519 192230214 /nfs/dbraw/zinc/23/02/14/192230214.db2.gz OMOGCSYQJDKUAY-NEPJUHHUSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H]([NH3+])CN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420398922 192237924 /nfs/dbraw/zinc/23/79/24/192237924.db2.gz ZIWOYHKGPPLAAO-TVYUQYBPSA-N 2 0 237.322 0.899 20 0 BCADRP C[N@@H+]1CC[C@H](NCC[NH3+])[C@@H]1c1ccccc1 ZINC000420408709 192239128 /nfs/dbraw/zinc/23/91/28/192239128.db2.gz PSJHXUWBUSXPBR-STQMWFEESA-N 2 0 219.332 0.980 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420419826 192240928 /nfs/dbraw/zinc/24/09/28/192240928.db2.gz XUOIFFHXSALCEW-VXGBXAGGSA-N 2 0 241.379 0.772 20 0 BCADRP COc1ccc([C@@H](C[NH3+])CN(C)CC[NH3+])cc1 ZINC000420372833 192232275 /nfs/dbraw/zinc/23/22/75/192232275.db2.gz FQIKUHUCZPJWGP-LBPRGKRZSA-N 2 0 237.347 0.628 20 0 BCADRP NC(=O)[C@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000134490422 181279127 /nfs/dbraw/zinc/27/91/27/181279127.db2.gz HFQBVJPQYZGVSC-GFCCVEGCSA-N 2 0 239.363 0.716 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000335720514 535316514 /nfs/dbraw/zinc/31/65/14/535316514.db2.gz XGFYHMPOYAITNJ-AAEUAGOBSA-N 2 0 239.363 0.572 20 0 BCADRP Cc1ccc(C[NH2+][C@@H]2CN(C)C[C@@H]2C)c(=O)n1C ZINC000336215204 134135955 /nfs/dbraw/zinc/13/59/55/134135955.db2.gz GCDVVVNERSQFKR-GXFFZTMASA-N 2 0 249.358 0.733 20 0 BCADRP Cc1ccc(C[NH2+][C@H]2CN(C)C[C@@H]2C)c(=O)n1C ZINC000336215184 134136093 /nfs/dbraw/zinc/13/60/93/134136093.db2.gz GCDVVVNERSQFKR-GWCFXTLKSA-N 2 0 249.358 0.733 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H](C[NH3+])C2)C[NH2+]1 ZINC000627205691 363502014 /nfs/dbraw/zinc/50/20/14/363502014.db2.gz CRDIPIUZRYSWEJ-OUAUKWLOSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627208557 363504550 /nfs/dbraw/zinc/50/45/50/363504550.db2.gz AOLUSOMKDIDCNX-YTWAJWBKSA-N 2 0 240.351 0.258 20 0 BCADRP C[C@H](NC[C@H](O)C[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422973250 192532531 /nfs/dbraw/zinc/53/25/31/192532531.db2.gz BONYSBUMJWHZMV-SDDRHHMPSA-N 2 0 229.368 0.029 20 0 BCADRP CC(C)C(=O)NCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423018838 192542188 /nfs/dbraw/zinc/54/21/88/192542188.db2.gz ZXVAHTOFTHOIAT-NWDGAFQWSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000378663277 356637741 /nfs/dbraw/zinc/63/77/41/356637741.db2.gz BAMSRKHHMIHYNE-OPRDCNLKSA-N 2 0 213.325 0.215 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000167607440 134152765 /nfs/dbraw/zinc/15/27/65/134152765.db2.gz ARZUJHBUGDKXMT-AVGNSLFASA-N 2 0 242.363 0.410 20 0 BCADRP C[NH+]1CCC2(CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC000639757696 356664313 /nfs/dbraw/zinc/66/43/13/356664313.db2.gz OONBLVLJOVJVGH-LLVKDONJSA-N 2 0 237.347 0.293 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000423109487 192570609 /nfs/dbraw/zinc/57/06/09/192570609.db2.gz HGSGMEQICNPYKV-IJLUTSLNSA-N 2 0 239.363 0.857 20 0 BCADRP c1cc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000088288159 356655485 /nfs/dbraw/zinc/65/54/85/356655485.db2.gz PFXKOJNHLALYAV-CHWSQXEVSA-N 2 0 217.316 0.775 20 0 BCADRP CN(CCC[NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000627226161 363553367 /nfs/dbraw/zinc/55/33/67/363553367.db2.gz GMIUDSDISVEHLY-JTQLQIEISA-N 2 0 228.340 0.071 20 0 BCADRP CC(C)NC(=O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088288285 356656431 /nfs/dbraw/zinc/65/64/31/356656431.db2.gz XZJCHIOTPMNMOP-PHIMTYICSA-N 2 0 225.336 0.052 20 0 BCADRP CC(C)NC(=O)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088288290 356656515 /nfs/dbraw/zinc/65/65/15/356656515.db2.gz XZJCHIOTPMNMOP-QWRGUYRKSA-N 2 0 225.336 0.052 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000582248203 356679885 /nfs/dbraw/zinc/67/98/85/356679885.db2.gz OYOJCKPYTWWGAL-GHMZBOCLSA-N 2 0 240.351 0.117 20 0 BCADRP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC(C)(C)O)C1 ZINC000639763302 356688581 /nfs/dbraw/zinc/68/85/81/356688581.db2.gz PZLBJJOBJRSWEP-CYBMUJFWSA-N 2 0 244.379 0.536 20 0 BCADRP COCC[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764273 356689935 /nfs/dbraw/zinc/68/99/35/356689935.db2.gz ZOKADQJMOUEWEJ-QWHCGFSZSA-N 2 0 244.379 0.800 20 0 BCADRP C[C@@H](O)CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764017 356690187 /nfs/dbraw/zinc/69/01/87/356690187.db2.gz SEDUNWUFCVMQAY-NEPJUHHUSA-N 2 0 230.352 0.146 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+](C)C(C)C ZINC000353456652 134164112 /nfs/dbraw/zinc/16/41/12/134164112.db2.gz DNSHDMZAMAKKMA-NEPJUHHUSA-N 2 0 241.379 0.831 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@@H](C)O ZINC000578186548 366369469 /nfs/dbraw/zinc/36/94/69/366369469.db2.gz YASLWDIDZOUMPR-GHMZBOCLSA-N 2 0 218.341 0.314 20 0 BCADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)C[NH3+])C1 ZINC000357245139 356820007 /nfs/dbraw/zinc/82/00/07/356820007.db2.gz UTHLTOQVBPLNMX-RYUDHWBXSA-N 2 0 241.379 0.675 20 0 BCADRP CC[NH+](CCO)[C@H](C)CC[N@H+](CC)CCO ZINC000155753037 538730647 /nfs/dbraw/zinc/73/06/47/538730647.db2.gz CJMXCRFMRCNAHF-GFCCVEGCSA-N 2 0 232.368 0.393 20 0 BCADRP C[N@@H+]1CCC[C@@H]2CN(Cc3cn[nH]n3)CC[C@@H]21 ZINC000450498943 202186888 /nfs/dbraw/zinc/18/68/88/202186888.db2.gz HTMONGKVLBWERT-PWSUYJOCSA-N 2 0 235.335 0.721 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC000041679578 358512895 /nfs/dbraw/zinc/51/28/95/358512895.db2.gz JXLLGZBFHVEUFR-GHMZBOCLSA-N 2 0 229.368 0.818 20 0 BCADRP CO[C@H](C)[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423184516 192614732 /nfs/dbraw/zinc/61/47/32/192614732.db2.gz UCUQIEKOHMNPFG-VXGBXAGGSA-N 2 0 229.368 0.295 20 0 BCADRP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](C)C[C@@H]1CO ZINC000639871934 357040177 /nfs/dbraw/zinc/04/01/77/357040177.db2.gz MHEDWEKRFZDYTC-QWHCGFSZSA-N 2 0 241.379 0.079 20 0 BCADRP [NH3+]CCCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000389649197 357008906 /nfs/dbraw/zinc/00/89/06/357008906.db2.gz UZFZEJJHSGORTK-ZJUUUORDSA-N 2 0 213.325 0.359 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000582358531 357101748 /nfs/dbraw/zinc/10/17/48/357101748.db2.gz BYQQSOQWQWFHRX-XWLWVQCSSA-N 2 0 242.367 0.491 20 0 BCADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000582359353 357103236 /nfs/dbraw/zinc/10/32/36/357103236.db2.gz IHMXEWSCVOYZCZ-TUAOUCFPSA-N 2 0 249.358 0.054 20 0 BCADRP C[NH2+]CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000390610931 357107245 /nfs/dbraw/zinc/10/72/45/357107245.db2.gz FCGKYDCKFHVACM-NXEZZACHSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000390648007 357109084 /nfs/dbraw/zinc/10/90/84/357109084.db2.gz OLSZPLZVSOEHMW-GUBZILKMSA-N 2 0 213.325 0.086 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000390758503 357115123 /nfs/dbraw/zinc/11/51/23/357115123.db2.gz KEPWLMPXRQPTOB-SNVBAGLBSA-N 2 0 213.325 0.102 20 0 BCADRP CN(C)C(=O)CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000390407005 357097547 /nfs/dbraw/zinc/09/75/47/357097547.db2.gz VJQPYYAWIWLIMN-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000390406365 357097735 /nfs/dbraw/zinc/09/77/35/357097735.db2.gz BNMYPXDTMWHSKE-AEJSXWLSSA-N 2 0 213.325 0.357 20 0 BCADRP CC1(C)CN(C(=O)Cn2ccnc2)CC[NH2+]1 ZINC000390521089 357100483 /nfs/dbraw/zinc/10/04/83/357100483.db2.gz FLEQHMDXKJHCOE-UHFFFAOYSA-N 2 0 222.292 0.094 20 0 BCADRP O=C(C[NH2+]CC1CC1)NCC[C@@H]1CC[NH2+]C1 ZINC000582419201 357142924 /nfs/dbraw/zinc/14/29/24/357142924.db2.gz PLPIHWPVZNXPTE-NSHDSACASA-N 2 0 225.336 0.102 20 0 BCADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n[nH]1 ZINC000392360975 357147644 /nfs/dbraw/zinc/14/76/44/357147644.db2.gz BGKPTGSJJONGGJ-VHSXEESVSA-N 2 0 223.324 0.515 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+]CC1(O)CCC1 ZINC000583689508 357120764 /nfs/dbraw/zinc/12/07/64/357120764.db2.gz VKMSVKBUYSCAAI-UHFFFAOYSA-N 2 0 244.379 0.849 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000377150267 357226330 /nfs/dbraw/zinc/22/63/30/357226330.db2.gz FGHSMFNHYRMHOO-ONGXEEELSA-N 2 0 231.315 0.322 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000393808220 357301212 /nfs/dbraw/zinc/30/12/12/357301212.db2.gz ROGOEDCXUPZOQJ-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP COCCN(C)C[C@@H](O)C[N@@H+]1CCC(C)(C)C1 ZINC000393876233 357303986 /nfs/dbraw/zinc/30/39/86/357303986.db2.gz GBJQSMUEKPNBAJ-GFCCVEGCSA-N 2 0 244.379 0.657 20 0 BCADRP [NH3+]C1(C(=O)NCC[N@H+]2CC=CCC2)CCC1 ZINC000392878265 357260709 /nfs/dbraw/zinc/26/07/09/357260709.db2.gz HJFMSYIREIPGKZ-UHFFFAOYSA-N 2 0 223.320 0.246 20 0 BCADRP CCCN(C(=O)[C@H]1CC[NH2+]1)C1CC[NH2+]CC1 ZINC000207820374 357313081 /nfs/dbraw/zinc/31/30/81/357313081.db2.gz CFHOJINFWHVIII-LLVKDONJSA-N 2 0 225.336 0.339 20 0 BCADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)C(C)(C)C ZINC000393983660 357313565 /nfs/dbraw/zinc/31/35/65/357313565.db2.gz VFMIMIPPFWPKEC-GHMZBOCLSA-N 2 0 232.368 0.296 20 0 BCADRP CCOC[C@H]1CC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000582490292 357319328 /nfs/dbraw/zinc/31/93/28/357319328.db2.gz ACPHNMAPTHDRNC-NWDGAFQWSA-N 2 0 230.352 0.315 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000582492914 357320599 /nfs/dbraw/zinc/32/05/99/357320599.db2.gz UWSHWPSCPGOREM-AXFHLTTASA-N 2 0 225.336 0.276 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000582544377 357330964 /nfs/dbraw/zinc/33/09/64/357330964.db2.gz KASGXXOZCXIQPZ-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)c2coc(C[NH3+])c2)C1 ZINC000582784416 357391935 /nfs/dbraw/zinc/39/19/35/357391935.db2.gz XRDCSIGDAYZISJ-SNVBAGLBSA-N 2 0 237.303 0.562 20 0 BCADRP C[NH2+]CCNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000582784105 357392317 /nfs/dbraw/zinc/39/23/17/357392317.db2.gz GCAZPBCYSAQUPB-LLVKDONJSA-N 2 0 239.294 0.204 20 0 BCADRP [NH3+]CCCC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000582784221 357392406 /nfs/dbraw/zinc/39/24/06/357392406.db2.gz NZFGTSMSRILVMX-UHFFFAOYSA-N 2 0 249.314 0.846 20 0 BCADRP [NH3+]C[C@@H](NC(=O)CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000582903579 357426833 /nfs/dbraw/zinc/42/68/33/357426833.db2.gz AFYTUCFFUKJAAB-GXSJLCMTSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000582903597 357427156 /nfs/dbraw/zinc/42/71/56/357427156.db2.gz ATPXMFZHMZLTJH-GWCFXTLKSA-N 2 0 247.342 0.727 20 0 BCADRP [NH3+]CC1(CC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000582905859 357428596 /nfs/dbraw/zinc/42/85/96/357428596.db2.gz BCCBWHGOMKVHDI-UHFFFAOYSA-N 2 0 225.336 0.374 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000582961746 357439527 /nfs/dbraw/zinc/43/95/27/357439527.db2.gz BIROMEISTZDHCB-JTQLQIEISA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000583018728 357450430 /nfs/dbraw/zinc/45/04/30/357450430.db2.gz LXNDPGPGIUZEEY-LLVKDONJSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000583082693 357474662 /nfs/dbraw/zinc/47/46/62/357474662.db2.gz PFJPGUGYRSINFQ-ZYHUDNBSSA-N 2 0 239.363 0.490 20 0 BCADRP Cc1cnccc1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397056023 357492063 /nfs/dbraw/zinc/49/20/63/357492063.db2.gz MSLHPKALLPISNY-UHFFFAOYSA-N 2 0 235.331 0.676 20 0 BCADRP COCC[NH2+]C1CCN(C[C@H](C)[NH3+])CC1 ZINC000583146718 357494906 /nfs/dbraw/zinc/49/49/06/357494906.db2.gz CPBZOXMYCJUFMQ-JTQLQIEISA-N 2 0 215.341 0.034 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000230710479 357572855 /nfs/dbraw/zinc/57/28/55/357572855.db2.gz JOPPSGLPNYHRPC-NSHDSACASA-N 2 0 227.352 0.539 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000230711013 357572928 /nfs/dbraw/zinc/57/29/28/357572928.db2.gz YGWLNYYTXMNRBJ-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP CCN(CCC[NH+](CC)CC)C(=O)[C@H](C)[NH3+] ZINC000230712551 357573409 /nfs/dbraw/zinc/57/34/09/357573409.db2.gz SZUBTQMDMBXVEA-NSHDSACASA-N 2 0 229.368 0.914 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188784935 357573993 /nfs/dbraw/zinc/57/39/93/357573993.db2.gz OJCWIEVVYYFPBF-WDEREUQCSA-N 2 0 245.342 0.535 20 0 BCADRP COCCC[NH+]1CCC([NH2+][C@H](C)[C@H](C)O)CC1 ZINC000583198749 357516277 /nfs/dbraw/zinc/51/62/77/357516277.db2.gz DWBWCIOXYYBYQI-NEPJUHHUSA-N 2 0 244.379 0.846 20 0 BCADRP CCC[C@@](C)(O)C[NH2+][C@@H](CCC[NH3+])COC ZINC000230685128 357549023 /nfs/dbraw/zinc/54/90/23/357549023.db2.gz JKMOYSSVOUIIPH-NWDGAFQWSA-N 2 0 232.368 0.881 20 0 BCADRP CC[C@H](C)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178409 357552778 /nfs/dbraw/zinc/55/27/78/357552778.db2.gz RUDVGMSMCUJOQG-RYUDHWBXSA-N 2 0 241.379 0.819 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000397552043 357596948 /nfs/dbraw/zinc/59/69/48/357596948.db2.gz XFZRCEZIDKPEEK-NSHDSACASA-N 2 0 242.363 0.600 20 0 BCADRP Cn1cncc1C[NH2+]CCOCC[NH+](C)C ZINC000231675729 357618351 /nfs/dbraw/zinc/61/83/51/357618351.db2.gz OQRFSZROWYXPRI-UHFFFAOYSA-N 2 0 226.324 0.088 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CCCCC1 ZINC000063505262 357661007 /nfs/dbraw/zinc/66/10/07/357661007.db2.gz UJTFSIZFWLDWAG-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP [NH3+]CCCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000190743298 357730329 /nfs/dbraw/zinc/73/03/29/357730329.db2.gz COPUMEZUQVUYOE-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)CS1 ZINC000397584208 363588278 /nfs/dbraw/zinc/58/82/78/363588278.db2.gz GOBBRWRHISNXAM-WDEREUQCSA-N 2 0 244.404 0.927 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH3+])[C@H](C)[NH3+] ZINC000583262651 357750412 /nfs/dbraw/zinc/75/04/12/357750412.db2.gz NGNUXYKOWTUHHT-HRDYMLBCSA-N 2 0 201.314 0.069 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623415171 357763039 /nfs/dbraw/zinc/76/30/39/357763039.db2.gz BICUMAJUPILOCN-WCQYABFASA-N 2 0 244.379 0.846 20 0 BCADRP COC[C@@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623415172 357763376 /nfs/dbraw/zinc/76/33/76/357763376.db2.gz BICUMAJUPILOCN-YPMHNXCESA-N 2 0 244.379 0.846 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCOC[C@H]1C ZINC000192471687 357835443 /nfs/dbraw/zinc/83/54/43/357835443.db2.gz DJJWMVKAPKKQIM-OLZOCXBDSA-N 2 0 244.379 0.969 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H]([NH3+])C1CCC1 ZINC000399017850 357893345 /nfs/dbraw/zinc/89/33/45/357893345.db2.gz GHFBDNBEEPRHCR-GFCCVEGCSA-N 2 0 241.379 0.914 20 0 BCADRP CCN(C)C(=O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000229587654 491116414 /nfs/dbraw/zinc/11/64/14/491116414.db2.gz QNMLAZNUBKWPMG-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000583751865 357933884 /nfs/dbraw/zinc/93/38/84/357933884.db2.gz CWSGMAZJRRJWMT-DCQANWLSSA-N 2 0 237.347 0.100 20 0 BCADRP C[C@H]([NH2+]CCCOCCO)[C@@H]1CCCC[NH2+]1 ZINC000386593678 357941611 /nfs/dbraw/zinc/94/16/11/357941611.db2.gz SEIYIXRUYGGASN-RYUDHWBXSA-N 2 0 230.352 0.506 20 0 BCADRP C[NH2+]CCNC(=O)c1ccccc1CC[NH2+]C ZINC000584470116 357989636 /nfs/dbraw/zinc/98/96/36/357989636.db2.gz MCOAZOCFYKCMDB-UHFFFAOYSA-N 2 0 235.331 0.398 20 0 BCADRP CC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000584472519 357990610 /nfs/dbraw/zinc/99/06/10/357990610.db2.gz SJPBHVMXOYVKPS-TXEJJXNPSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[NH+](CCC[NH2+]CCC(N)=O)C(C)C ZINC000584464777 357992195 /nfs/dbraw/zinc/99/21/95/357992195.db2.gz IJPZXWXOGZIQCP-UHFFFAOYSA-N 2 0 229.368 0.960 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2C(=O)C1([NH3+])CC1 ZINC000584477144 357995038 /nfs/dbraw/zinc/99/50/38/357995038.db2.gz MWNJCWHKGDPOIN-UHFFFAOYSA-N 2 0 223.320 0.208 20 0 BCADRP C[C@H]1C[C@@H]1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103211794 358013212 /nfs/dbraw/zinc/01/32/12/358013212.db2.gz ZFXMCWKMKBOGJH-RYUDHWBXSA-N 2 0 241.379 0.594 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000219832777 358013855 /nfs/dbraw/zinc/01/38/55/358013855.db2.gz PSZPALVKEDMEFM-YPMHNXCESA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000583861365 358021894 /nfs/dbraw/zinc/02/18/94/358021894.db2.gz SOGMFDWIDPWAED-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000583861368 358021924 /nfs/dbraw/zinc/02/19/24/358021924.db2.gz SOGMFDWIDPWAED-VXGBXAGGSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC[NH+](C)C ZINC000037480046 358071857 /nfs/dbraw/zinc/07/18/57/358071857.db2.gz XIDXQCZSGYWYEE-UHFFFAOYSA-N 2 0 201.314 0.052 20 0 BCADRP O=C(C[NH2+]C1CC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000037609488 358083302 /nfs/dbraw/zinc/08/33/02/358083302.db2.gz WODMKDYOSDZPBF-RYUDHWBXSA-N 2 0 237.347 0.481 20 0 BCADRP O=C(C[NH2+]C1CC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649674 358084943 /nfs/dbraw/zinc/08/49/43/358084943.db2.gz BPPPJKGCDSUQHM-SNVBAGLBSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000037821714 358095477 /nfs/dbraw/zinc/09/54/77/358095477.db2.gz NTWLOKHTEFGWRX-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000584589392 358103215 /nfs/dbraw/zinc/10/32/15/358103215.db2.gz OZIKXNINCXGXHA-GXSJLCMTSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000584598442 358112362 /nfs/dbraw/zinc/11/23/62/358112362.db2.gz ISBKWLXINAYNDT-OLZOCXBDSA-N 2 0 240.395 0.093 20 0 BCADRP [NH3+]CC[C@H](N[C@@H]1CCC[NH2+]C1)C(F)F ZINC000584593663 358111048 /nfs/dbraw/zinc/11/10/48/358111048.db2.gz LNSSEDTWMOJNCL-SFYZADRCSA-N 2 0 207.268 0.311 20 0 BCADRP COC[C@](C)(O)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000584665369 358126827 /nfs/dbraw/zinc/12/68/27/358126827.db2.gz KCXVPOPUVSSQFP-GRYCIOLGSA-N 2 0 230.352 0.633 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000390378351 491122112 /nfs/dbraw/zinc/12/21/12/491122112.db2.gz YMSDWIRBGHQKRL-DTWKUNHWSA-N 2 0 213.325 0.500 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000390378352 491122113 /nfs/dbraw/zinc/12/21/13/491122113.db2.gz YMSDWIRBGHQKRL-IUCAKERBSA-N 2 0 213.325 0.500 20 0 BCADRP [NH3+]C1(CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000094295252 487527723 /nfs/dbraw/zinc/52/77/23/487527723.db2.gz ZOMMHFKUKUVEOP-JTQLQIEISA-N 2 0 237.347 0.611 20 0 BCADRP CC(C)(C)[NH2+]CCN1CC[NH2+]C[C@H]1C(F)F ZINC000584782897 358176863 /nfs/dbraw/zinc/17/68/63/358176863.db2.gz WEIPQRSOFNQMFI-VIFPVBQESA-N 2 0 235.322 0.913 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)C[NH2+]C1CC1 ZINC000584722809 358158699 /nfs/dbraw/zinc/15/86/99/358158699.db2.gz RIJGSNIEAXHWFA-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[C@H](C)[NH3+])C1 ZINC000584833763 358196269 /nfs/dbraw/zinc/19/62/69/358196269.db2.gz NYTCLSZJVQIXIG-AXFHLTTASA-N 2 0 227.352 0.426 20 0 BCADRP C[C@H](CN1CCOCC1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000222928410 358216122 /nfs/dbraw/zinc/21/61/22/358216122.db2.gz VTAOTEQWIJLMCJ-UPJWGTAASA-N 2 0 241.379 0.567 20 0 BCADRP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224293992 358232394 /nfs/dbraw/zinc/23/23/94/358232394.db2.gz QIDNCFGJJNAGML-UWVGGRQHSA-N 2 0 213.325 0.311 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)N(C)C)C1 ZINC000040601622 358243688 /nfs/dbraw/zinc/24/36/88/358243688.db2.gz OAFWLECCLFEVPE-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040624534 358244391 /nfs/dbraw/zinc/24/43/91/358244391.db2.gz USAAKIFCVMZVJH-GFCCVEGCSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)C[C@H](CNC(=O)C[NH2+]C1CC1)[NH+](C)C ZINC000040831338 358246777 /nfs/dbraw/zinc/24/67/77/358246777.db2.gz BXTJGHLXQDRHTH-GFCCVEGCSA-N 2 0 241.379 0.831 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH2+]C1CC1 ZINC000226082824 358333710 /nfs/dbraw/zinc/33/37/10/358333710.db2.gz FILIGPTXBGHKEA-NSHDSACASA-N 2 0 225.336 0.339 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000041680324 358333724 /nfs/dbraw/zinc/33/37/24/358333724.db2.gz CIYQNSCQFNFITB-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCCC[NH2+]1 ZINC000041680237 358334172 /nfs/dbraw/zinc/33/41/72/358334172.db2.gz OMIDFSDOUPBIIU-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C(C[N@@H+]1CCO[C@H]2CCC[C@H]21)N1CC[NH2+]CC1 ZINC000043427994 358375463 /nfs/dbraw/zinc/37/54/63/358375463.db2.gz PFQVVSKRPSYPQJ-OLZOCXBDSA-N 2 0 239.363 0.145 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)[C@H](C)C1C[NH2+]C1 ZINC000230710775 358410350 /nfs/dbraw/zinc/41/03/50/358410350.db2.gz HABWBQIMQBWWHR-LLVKDONJSA-N 2 0 241.379 0.642 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC000044526676 358389851 /nfs/dbraw/zinc/38/98/51/358389851.db2.gz IEOBGHRYOZMTSU-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000134995761 325387407 /nfs/dbraw/zinc/38/74/07/325387407.db2.gz DYQCUPBWWVQKNT-GFCCVEGCSA-N 2 0 239.363 0.633 20 0 BCADRP CC[NH+]1CCC([NH2+]CCOCCOC)CC1 ZINC000044693436 358551926 /nfs/dbraw/zinc/55/19/26/358551926.db2.gz CWPARYMHAWHPDX-UHFFFAOYSA-N 2 0 230.352 0.723 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C[NH3+])C(C)C ZINC000044794812 358553848 /nfs/dbraw/zinc/55/38/48/358553848.db2.gz YNAYMAZDMGLJSQ-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000086270527 358563178 /nfs/dbraw/zinc/56/31/78/358563178.db2.gz IXNKWTCVSMPHEV-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCCC[NH+](C)C ZINC000086271770 358572797 /nfs/dbraw/zinc/57/27/97/358572797.db2.gz YWUWLLYVKCVJLN-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000131988142 358702658 /nfs/dbraw/zinc/70/26/58/358702658.db2.gz XJVSGEPZQJVKIU-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP COC(=O)CCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130864036 358650921 /nfs/dbraw/zinc/65/09/21/358650921.db2.gz GKGTVZTYFKPGBH-TUAOUCFPSA-N 2 0 240.347 0.999 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000131541035 358680330 /nfs/dbraw/zinc/68/03/30/358680330.db2.gz GVGUEPNQPBIHHC-LLVKDONJSA-N 2 0 219.288 0.836 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H]2CCCC[NH2+]2)CCCCC1 ZINC000131517628 358680714 /nfs/dbraw/zinc/68/07/14/358680714.db2.gz WZVMSYLWBIOEJP-NSHDSACASA-N 2 0 239.363 0.906 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000131707373 358690834 /nfs/dbraw/zinc/69/08/34/358690834.db2.gz XRTAZBVWQHFNKJ-GHMZBOCLSA-N 2 0 225.336 0.102 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559747 358692683 /nfs/dbraw/zinc/69/26/83/358692683.db2.gz IIIOAMZUOLOLBP-IUCAKERBSA-N 2 0 201.314 0.180 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559668 358694799 /nfs/dbraw/zinc/69/47/99/358694799.db2.gz RJCWQZRYXUGVFG-MNOVXSKESA-N 2 0 229.368 0.816 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000049559642 358695231 /nfs/dbraw/zinc/69/52/31/358695231.db2.gz WRWNVRNSRAFWKE-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000049559641 358695238 /nfs/dbraw/zinc/69/52/38/358695238.db2.gz WRWNVRNSRAFWKE-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000131833896 358695918 /nfs/dbraw/zinc/69/59/18/358695918.db2.gz WPUNEFUMZGHJKN-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000131934379 358701500 /nfs/dbraw/zinc/70/15/00/358701500.db2.gz FPKPZCBUZSLMKA-TUAOUCFPSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)CC(=O)N1CCCC1 ZINC000133560306 358758541 /nfs/dbraw/zinc/75/85/41/358758541.db2.gz HCEZQEWKNUFRNS-LBPRGKRZSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CCCC[NH3+] ZINC000309456058 358708560 /nfs/dbraw/zinc/70/85/60/358708560.db2.gz NSNFBNFADZMLJX-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP [NH3+]CCCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000132910464 358739608 /nfs/dbraw/zinc/73/96/08/358739608.db2.gz VVJQTHGYTYXNMY-MNOVXSKESA-N 2 0 225.336 0.468 20 0 BCADRP CN(C)CC[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000135118293 358821201 /nfs/dbraw/zinc/82/12/01/358821201.db2.gz KTYSFDPSCUEOJX-UHFFFAOYSA-N 2 0 242.367 0.284 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@H]([NH2+]C)C2)CCC[NH2+]1 ZINC000134365450 358787520 /nfs/dbraw/zinc/78/75/20/358787520.db2.gz GAKTUUJRPBKKHM-CMPLNLGQSA-N 2 0 225.336 0.339 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000564083623 358849973 /nfs/dbraw/zinc/84/99/73/358849973.db2.gz YCUHHACSGUTEOU-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000054128996 358854561 /nfs/dbraw/zinc/85/45/61/358854561.db2.gz ZWLHLHXAAAMGPT-LLVKDONJSA-N 2 0 229.368 0.674 20 0 BCADRP C[NH2+]CCC[NH+]1CCC([C@@H](C)NC(C)=O)CC1 ZINC000578324090 366512986 /nfs/dbraw/zinc/51/29/86/366512986.db2.gz OOFYTSMTBRXFRN-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000423308049 192696720 /nfs/dbraw/zinc/69/67/20/192696720.db2.gz XENIDKKPRFSLPM-GVXVVHGQSA-N 2 0 223.364 0.811 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000578321515 366510026 /nfs/dbraw/zinc/51/00/26/366510026.db2.gz GFDPAQQRJZAQLZ-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2COCCO2)C1 ZINC000086403392 358967728 /nfs/dbraw/zinc/96/77/28/358967728.db2.gz DFMHFBDWEYJUOK-OUAUKWLOSA-N 2 0 214.309 0.261 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000059930888 358921366 /nfs/dbraw/zinc/92/13/66/358921366.db2.gz RKMVJNPNUJUNJM-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000252611335 359314758 /nfs/dbraw/zinc/31/47/58/359314758.db2.gz VLEHGQDIBFRTEJ-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]([NH3+])C1CC1)[C@@H](C)[NH3+] ZINC000423488088 192792360 /nfs/dbraw/zinc/79/23/60/192792360.db2.gz YHCGBGPAWJHHGH-MIMYLULJSA-N 2 0 227.352 0.459 20 0 BCADRP CCC[C@H](C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000423533451 192804356 /nfs/dbraw/zinc/80/43/56/192804356.db2.gz TWVCKFWBQAYVFM-QJPTWQEYSA-N 2 0 241.379 0.912 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000572466486 359520556 /nfs/dbraw/zinc/52/05/56/359520556.db2.gz MBVXHWPTXCKBHD-GMTAPVOTSA-N 2 0 227.352 0.346 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccnc(C[NH3+])c1 ZINC000574987707 359523025 /nfs/dbraw/zinc/52/30/25/359523025.db2.gz MGNHLVDNLCMZOV-CABZTGNLSA-N 2 0 248.330 0.268 20 0 BCADRP CC[C@@H](NC[C@H]1C[NH2+]CCN1C)[C@@H]1CCC[NH2+]1 ZINC000423498724 192794795 /nfs/dbraw/zinc/79/47/95/192794795.db2.gz BXBFWCFXCVFDBZ-UPJWGTAASA-N 2 0 240.395 0.010 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)CC[NH2+]1 ZINC000572406368 359490105 /nfs/dbraw/zinc/49/01/05/359490105.db2.gz QRZKJSNZGTXCHX-BJDJZHNGSA-N 2 0 239.363 0.583 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH3+])[C@@H]1C)[NH+](C)C ZINC000423656291 192820012 /nfs/dbraw/zinc/82/00/12/192820012.db2.gz WLLPFVALYMUTSL-HBNTYKKESA-N 2 0 227.352 0.521 20 0 BCADRP C[C@@H](O)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000580431573 359542840 /nfs/dbraw/zinc/54/28/40/359542840.db2.gz REEUTEJLPKBRKU-YNEHKIRRSA-N 2 0 244.379 0.438 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000580429634 359547121 /nfs/dbraw/zinc/54/71/21/359547121.db2.gz XVFQGDLRCVHNHA-DVVUODLYSA-N 2 0 225.336 0.086 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)CCC[NH+](C)C ZINC000580442498 359551391 /nfs/dbraw/zinc/55/13/91/359551391.db2.gz CVOTVTWXXWHEGZ-WDEREUQCSA-N 2 0 244.383 0.705 20 0 BCADRP C[C@]1(C(=O)NCC[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000580443186 359551402 /nfs/dbraw/zinc/55/14/02/359551402.db2.gz MORDDQJSKFMRQM-PWSUYJOCSA-N 2 0 225.336 0.102 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000423615186 192817807 /nfs/dbraw/zinc/81/78/07/192817807.db2.gz YCUBPABVMKVLJI-GMTAPVOTSA-N 2 0 229.368 0.720 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000423778014 192834582 /nfs/dbraw/zinc/83/45/82/192834582.db2.gz SHYPKSZCTXHWTL-VXGBXAGGSA-N 2 0 241.379 0.641 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000423778918 192835652 /nfs/dbraw/zinc/83/56/52/192835652.db2.gz UNXHZFJCRJQFRD-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000423842259 192838858 /nfs/dbraw/zinc/83/88/58/192838858.db2.gz GZYXNJKSJJUWLH-LBPRGKRZSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424062375 192858263 /nfs/dbraw/zinc/85/82/63/192858263.db2.gz VFQOINKQPBSETO-JXUBOQSCSA-N 2 0 211.309 0.062 20 0 BCADRP C[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000309075727 491144107 /nfs/dbraw/zinc/14/41/07/491144107.db2.gz KFNZBTPDCRCACF-UTUOFQBUSA-N 2 0 212.337 0.974 20 0 BCADRP CC(=O)[C@](C)(O)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000450854439 202289736 /nfs/dbraw/zinc/28/97/36/202289736.db2.gz KLCNMKGAXSWLIT-QWHCGFSZSA-N 2 0 242.363 0.743 20 0 BCADRP CC(=O)[C@](C)(O)CN(C)CCC[NH+]1CCCC1 ZINC000450904035 202305990 /nfs/dbraw/zinc/30/59/90/202305990.db2.gz MGRYTUHDIDVJOF-CYBMUJFWSA-N 2 0 242.363 0.744 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000578359581 366538120 /nfs/dbraw/zinc/53/81/20/366538120.db2.gz DTIXDXNHMMLOTK-LLVKDONJSA-N 2 0 241.379 0.819 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=O)Cn2ccnc2)C1 ZINC000578409611 366558355 /nfs/dbraw/zinc/55/83/55/366558355.db2.gz HFGXENREWIOYHJ-LLVKDONJSA-N 2 0 236.319 0.341 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000578426116 366565152 /nfs/dbraw/zinc/56/51/52/366565152.db2.gz PZIWTQXBBZWHRV-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000578444059 366569248 /nfs/dbraw/zinc/56/92/48/366569248.db2.gz KEBSYUXPBKEIFC-GARJFASQSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)c1ccccc1 ZINC000578507581 366582461 /nfs/dbraw/zinc/58/24/61/366582461.db2.gz WGZRMWBMYVLHFJ-BZPMIXESSA-N 2 0 245.326 0.555 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000578534952 366593287 /nfs/dbraw/zinc/59/32/87/366593287.db2.gz YGLIDZXBQLIJKX-GARJFASQSA-N 2 0 225.336 0.385 20 0 BCADRP CN(C(=O)c1ccccc1CC[NH3+])[C@H]1CC[NH2+]C1 ZINC000578637455 366615578 /nfs/dbraw/zinc/61/55/78/366615578.db2.gz PIPQMQXSJLEVKQ-LBPRGKRZSA-N 2 0 247.342 0.622 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)C2([NH3+])CCC2)cc1 ZINC000578654077 366620758 /nfs/dbraw/zinc/62/07/58/366620758.db2.gz RXFJMTVMIKEQRK-UHFFFAOYSA-N 2 0 233.315 0.643 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000087526195 359916720 /nfs/dbraw/zinc/91/67/20/359916720.db2.gz JVHKYINWXHRIJD-VXGBXAGGSA-N 2 0 239.363 0.524 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000087471719 366597410 /nfs/dbraw/zinc/59/74/10/366597410.db2.gz BOSIAGCUCLGUHQ-NSHDSACASA-N 2 0 213.325 0.054 20 0 BCADRP C[NH2+]CCCN(C)C(=O)CC[C@H](C)[NH3+] ZINC000087471765 366597494 /nfs/dbraw/zinc/59/74/94/366597494.db2.gz FOCDBLLCBHIERE-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578618273 366608497 /nfs/dbraw/zinc/60/84/97/366608497.db2.gz XKURZBHTNXKTTK-HBNTYKKESA-N 2 0 227.352 0.346 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578618272 366608837 /nfs/dbraw/zinc/60/88/37/366608837.db2.gz XKURZBHTNXKTTK-GARJFASQSA-N 2 0 227.352 0.346 20 0 BCADRP C[C@H](C(=O)NCC[NH2+]C(C)(C)C)C1C[NH2+]C1 ZINC000578745812 366630577 /nfs/dbraw/zinc/63/05/77/366630577.db2.gz HKTHNFKGKBDDNQ-VIFPVBQESA-N 2 0 227.352 0.346 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000578729743 366632731 /nfs/dbraw/zinc/63/27/31/366632731.db2.gz XKIVLPFWIDTXRY-UWVGGRQHSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH2+]CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164353 359939197 /nfs/dbraw/zinc/93/91/97/359939197.db2.gz RPIOTCRPHQJJTE-YOGCLGLASA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]([NH3+])CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000578749799 366637465 /nfs/dbraw/zinc/63/74/65/366637465.db2.gz ITSQNUMQDMPOCN-SDDRHHMPSA-N 2 0 211.353 0.940 20 0 BCADRP [NH3+]CC1(CC(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000578758418 366640941 /nfs/dbraw/zinc/64/09/41/366640941.db2.gz VXYUHYMIZCGUKH-JTQLQIEISA-N 2 0 225.336 0.231 20 0 BCADRP C[C@@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[C@H](C)[NH3+] ZINC000578879786 366666080 /nfs/dbraw/zinc/66/60/80/366666080.db2.gz ILLFLUZNHGGZCP-NTZNESFSSA-N 2 0 239.363 0.572 20 0 BCADRP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000578867761 366661652 /nfs/dbraw/zinc/66/16/52/366661652.db2.gz BNZYRYJZMCYCCA-FRRDWIJNSA-N 3 0 223.364 0.527 20 0 BCADRP C[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000578869827 366662140 /nfs/dbraw/zinc/66/21/40/366662140.db2.gz DRHOVVLZKQJHAN-JXUBOQSCSA-N 2 0 213.325 0.165 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089461126 360021233 /nfs/dbraw/zinc/02/12/33/360021233.db2.gz WGPFXACUWRJZCO-RYUDHWBXSA-N 2 0 241.379 0.819 20 0 BCADRP COCCC[N@H+](CCOC)CC[C@H]1CC[NH2+]C1 ZINC000089749280 360036933 /nfs/dbraw/zinc/03/69/33/360036933.db2.gz NKVNKXSINREMDA-CYBMUJFWSA-N 2 0 244.379 0.971 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612875059 360135341 /nfs/dbraw/zinc/13/53/41/360135341.db2.gz BWHGQQDWAIHYRG-JQWIXIFHSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612925912 360195880 /nfs/dbraw/zinc/19/58/80/360195880.db2.gz RNWXXGGIPAABBS-KOLCDFICSA-N 2 0 228.340 0.165 20 0 BCADRP C[C@]1(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000612925835 360196623 /nfs/dbraw/zinc/19/66/23/360196623.db2.gz ZNSPSOGOZKNFNL-SCVCMEIPSA-N 2 0 240.351 0.165 20 0 BCADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CCOC2)CC1(C)C ZINC000623472947 360197337 /nfs/dbraw/zinc/19/73/37/360197337.db2.gz CGGIZKBNQPCTOX-WCQYABFASA-N 2 0 242.363 0.600 20 0 BCADRP C[C@@]1(NC(=O)NCCC2(C[NH3+])CC2)CC[NH2+]C1 ZINC000612929251 360197607 /nfs/dbraw/zinc/19/76/07/360197607.db2.gz CADZALAYZWSAHH-LLVKDONJSA-N 2 0 240.351 0.167 20 0 BCADRP CN(Cc1cnnn1C)C[C@H]1CCC[N@H+](C)C1 ZINC000092253406 360159630 /nfs/dbraw/zinc/15/96/30/360159630.db2.gz PIFPULQIPQLXSJ-NSHDSACASA-N 2 0 237.351 0.589 20 0 BCADRP C[C@@]1(NC(=O)NCCC[NH2+]C2CC2)CC[NH2+]C1 ZINC000612910904 360173946 /nfs/dbraw/zinc/17/39/46/360173946.db2.gz BEVKPHUHDLSGCQ-GFCCVEGCSA-N 2 0 240.351 0.180 20 0 BCADRP C[C@]1(NC(=O)N[C@@H]2CCC[NH2+]CC2)CC[NH2+]C1 ZINC000612919956 360181027 /nfs/dbraw/zinc/18/10/27/360181027.db2.gz AVILIMBOZFZBMH-PWSUYJOCSA-N 2 0 240.351 0.180 20 0 BCADRP C[C@]1(NC(=O)NCC[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000612914572 360188625 /nfs/dbraw/zinc/18/86/25/360188625.db2.gz MJWABEASXDONGO-PWSUYJOCSA-N 2 0 240.351 0.037 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612993546 360248301 /nfs/dbraw/zinc/24/83/01/360248301.db2.gz NVCVUHRFTPQTHO-LPEHRKFASA-N 2 0 240.351 0.163 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612992880 360248332 /nfs/dbraw/zinc/24/83/32/360248332.db2.gz KJLWZZIHJRNJGH-VHSXEESVSA-N 2 0 240.351 0.165 20 0 BCADRP COCCCNC(=O)CN(C)CC(C)(C)C[NH3+] ZINC000093874135 360286262 /nfs/dbraw/zinc/28/62/62/360286262.db2.gz BNMZBQMYTJNXQI-UHFFFAOYSA-N 2 0 245.367 0.056 20 0 BCADRP C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000152415827 360740493 /nfs/dbraw/zinc/74/04/93/360740493.db2.gz KJFBOWSXMIOWOE-UTUOFQBUSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449372471 200666835 /nfs/dbraw/zinc/66/68/35/200666835.db2.gz IGKZFQBZMMZBLD-MXWKQRLJSA-N 2 0 227.352 0.748 20 0 BCADRP CC[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155822882 360925522 /nfs/dbraw/zinc/92/55/22/360925522.db2.gz NTRFOANFQOITMM-GRYCIOLGSA-N 2 0 212.337 0.974 20 0 BCADRP C[NH2+]C[C@H](C)CNC[C@@H]([NH3+])CC(C)C ZINC000414852400 200771237 /nfs/dbraw/zinc/77/12/37/200771237.db2.gz RBZZGFRZUGVFBR-QWRGUYRKSA-N 2 0 201.358 0.805 20 0 BCADRP C[NH2+]C[C@H](C)CNCC[NH2+]C(C)(C)C ZINC000414851568 219882626 /nfs/dbraw/zinc/88/26/26/219882626.db2.gz PLFVQBNUAXGSRG-JTQLQIEISA-N 2 0 201.358 0.820 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1CC[NH2+][C@H]1C ZINC000629407437 361056303 /nfs/dbraw/zinc/05/63/03/361056303.db2.gz ACXDNYALSGTKEW-YRRQLQLVSA-N 2 0 223.364 0.809 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000629407583 361056379 /nfs/dbraw/zinc/05/63/79/361056379.db2.gz FDINJDNQGNNXAZ-WUHRBBMRSA-N 2 0 223.364 0.953 20 0 BCADRP C[NH2+]CCOCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000629392390 361041453 /nfs/dbraw/zinc/04/14/53/361041453.db2.gz MLMWXQOQUDXNRP-UHFFFAOYSA-N 2 0 243.395 0.685 20 0 BCADRP CCC[NH+]1CCC([NH2+]CCOCC[NH2+]C)CC1 ZINC000629393159 361042308 /nfs/dbraw/zinc/04/23/08/361042308.db2.gz YIMWLEATOSPSRJ-UHFFFAOYSA-N 3 0 243.395 0.686 20 0 BCADRP Cc1ncccc1C[NH2+]CCOCCC[NH3+] ZINC000629398535 361048842 /nfs/dbraw/zinc/04/88/42/361048842.db2.gz DXEFFAQWQNSRSQ-UHFFFAOYSA-N 2 0 223.320 0.845 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000431061287 192903042 /nfs/dbraw/zinc/90/30/42/192903042.db2.gz JVLVJJZMYIBXPC-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP Cc1ccc(O)c(C[NH2+]CCOCCC[NH3+])n1 ZINC000629399328 361050373 /nfs/dbraw/zinc/05/03/73/361050373.db2.gz PLEMKIIJGSDBSF-UHFFFAOYSA-N 2 0 239.319 0.551 20 0 BCADRP [NH3+]CCCOCC[NH2+]C1CCOCC1 ZINC000629400035 361051014 /nfs/dbraw/zinc/05/10/14/361051014.db2.gz ZFOXFZYVHIWVEE-UHFFFAOYSA-N 2 0 202.298 0.120 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000629400438 361051995 /nfs/dbraw/zinc/05/19/95/361051995.db2.gz XWUZGTXQESRURT-CHWSQXEVSA-N 3 0 241.379 0.568 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000629405819 361053362 /nfs/dbraw/zinc/05/33/62/361053362.db2.gz UIIWRYRTNMEJFJ-QWRGUYRKSA-N 2 0 216.325 0.380 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+](C)CC1 ZINC000629404861 361054836 /nfs/dbraw/zinc/05/48/36/361054836.db2.gz RQGZXYVHIFVSQW-NWDGAFQWSA-N 2 0 211.353 0.811 20 0 BCADRP [NH3+]CCOc1ccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000424138596 200864999 /nfs/dbraw/zinc/86/49/99/200864999.db2.gz CQKVBXYTFJMUPY-MNOVXSKESA-N 2 0 235.287 0.310 20 0 BCADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424164651 200872658 /nfs/dbraw/zinc/87/26/58/200872658.db2.gz COPMXZUKXREMNU-UTUOFQBUSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)C2C[NH2+]C2)C[C@H]1C[NH3+] ZINC000424277773 200897384 /nfs/dbraw/zinc/89/73/84/200897384.db2.gz DBTVRCGSSJXPCC-OPRDCNLKSA-N 2 0 225.336 0.038 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NCC1([NH3+])CCOCC1 ZINC000629519976 361119833 /nfs/dbraw/zinc/11/98/33/361119833.db2.gz JMUACWJWQQVJAJ-GHMZBOCLSA-N 2 0 227.352 0.082 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CCOC2CCOCC2)C1 ZINC000629509500 361103171 /nfs/dbraw/zinc/10/31/71/361103171.db2.gz AHCOTMXVVHEQNM-GFCCVEGCSA-N 2 0 242.363 0.723 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1NCC1([NH3+])CCOCC1 ZINC000629519620 361119931 /nfs/dbraw/zinc/11/99/31/361119931.db2.gz BXUDCDYUNCZCMY-GHMZBOCLSA-N 2 0 227.352 0.034 20 0 BCADRP CCO[C@H](CN1CCO[C@@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000629512672 361107718 /nfs/dbraw/zinc/10/77/18/361107718.db2.gz BPJNTWOAZSCDIQ-RAIGVLPGSA-N 2 0 242.363 0.850 20 0 BCADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCN(C)C1=O ZINC000629520248 361116457 /nfs/dbraw/zinc/11/64/57/361116457.db2.gz VJKIJAGJAVPHCB-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)C[C@H]1COCC[NH2+]1 ZINC000629528049 361135645 /nfs/dbraw/zinc/13/56/45/361135645.db2.gz NNTILMXEHDCAKW-MROQNXINSA-N 2 0 241.379 0.484 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000629528309 361135700 /nfs/dbraw/zinc/13/57/00/361135700.db2.gz WBSDWJOJBXEXBT-WRWGMCAJSA-N 2 0 211.353 0.844 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000629528495 361137037 /nfs/dbraw/zinc/13/70/37/361137037.db2.gz AMYXYVDGDCGVHG-RYUDHWBXSA-N 3 0 229.368 0.295 20 0 BCADRP CCN(C)C(=O)CC[NH+]1CCC([NH3+])CC1 ZINC000578988836 366687612 /nfs/dbraw/zinc/68/76/12/366687612.db2.gz PUYONXMPASLVTC-UHFFFAOYSA-N 2 0 213.325 0.278 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cnccn1 ZINC000629529208 361138469 /nfs/dbraw/zinc/13/84/69/361138469.db2.gz VGVKOFWUYRGDGF-JTQLQIEISA-N 2 0 224.308 0.363 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000629529274 361138542 /nfs/dbraw/zinc/13/85/42/361138542.db2.gz XKVCXWXHVKQQKG-GFCCVEGCSA-N 3 0 243.395 0.542 20 0 BCADRP CC[C@H]([NH2+]CCOCC[NH2+]C)c1nccn1C ZINC000629529732 361141441 /nfs/dbraw/zinc/14/14/41/361141441.db2.gz LWFXNOMVBDVBLB-NSHDSACASA-N 2 0 240.351 0.697 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000629530464 361144397 /nfs/dbraw/zinc/14/43/97/361144397.db2.gz HKYZXLYWLMJUFB-NSHDSACASA-N 2 0 240.351 0.615 20 0 BCADRP C[NH2+]CCOCC[NH2+]C1CCC(O)CC1 ZINC000629530453 361144547 /nfs/dbraw/zinc/14/45/47/361144547.db2.gz HIRWEXWEBKJHFM-UHFFFAOYSA-N 2 0 216.325 0.116 20 0 BCADRP CCn1nnc(C)c1CN1CC[C@](C)(C[NH3+])C1 ZINC000629530368 361144777 /nfs/dbraw/zinc/14/47/77/361144777.db2.gz DTROLVJZVGTHQN-GFCCVEGCSA-N 2 0 237.351 0.777 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000629530769 361145833 /nfs/dbraw/zinc/14/58/33/361145833.db2.gz QMSYRTZZYDGUGB-HBNTYKKESA-N 2 0 200.326 0.857 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1nccn1C ZINC000629530123 361147800 /nfs/dbraw/zinc/14/78/00/361147800.db2.gz WBQXRBLVLDZXFY-JTQLQIEISA-N 2 0 226.324 0.307 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000629531421 361148839 /nfs/dbraw/zinc/14/88/39/361148839.db2.gz KRUOTCANAVXHEP-NEPJUHHUSA-N 3 0 229.368 0.200 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000248846426 325623405 /nfs/dbraw/zinc/62/34/05/325623405.db2.gz HZYJGZNELAIQQR-OUAUKWLOSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@H](NCC1([NH3+])CCOCC1)[C@H]1CCC[NH2+]1 ZINC000629521775 361121303 /nfs/dbraw/zinc/12/13/03/361121303.db2.gz UFNIGUUBPMTMSN-WDEREUQCSA-N 2 0 227.352 0.224 20 0 BCADRP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000629524213 361122782 /nfs/dbraw/zinc/12/27/82/361122782.db2.gz NVSWEPLSVASOCC-NGDQXYMTSA-N 2 0 237.347 0.228 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629525014 361125659 /nfs/dbraw/zinc/12/56/59/361125659.db2.gz XPOZDAZSUXDYOZ-GUBZILKMSA-N 2 0 213.325 0.357 20 0 BCADRP CC[N@H+](CCCO)C[C@H]1CCC[NH2+]C1 ZINC000158596653 361204791 /nfs/dbraw/zinc/20/47/91/361204791.db2.gz XKRCZFRTHQKKEC-NSHDSACASA-N 2 0 200.326 0.690 20 0 BCADRP CC[N@H+](CCCO)C[C@@H]1CCC[NH2+]C1 ZINC000158596509 361204934 /nfs/dbraw/zinc/20/49/34/361204934.db2.gz XKRCZFRTHQKKEC-LLVKDONJSA-N 2 0 200.326 0.690 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000248869937 325625035 /nfs/dbraw/zinc/62/50/35/325625035.db2.gz OJERVBQZKOTCDI-HBNTYKKESA-N 2 0 225.336 0.385 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C[NH2+]C1CC1 ZINC000579107041 366711647 /nfs/dbraw/zinc/71/16/47/366711647.db2.gz AQHIGPCPSQPERB-JOYOIKCWSA-N 2 0 237.347 0.337 20 0 BCADRP Cc1ncc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)n1C ZINC000579130151 366720347 /nfs/dbraw/zinc/72/03/47/366720347.db2.gz NHQXLIUKUWFHON-KWQFWETISA-N 2 0 236.319 0.343 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[NH2+]C1 ZINC000428195257 201001762 /nfs/dbraw/zinc/00/17/62/201001762.db2.gz HNJAUJLZAJBEEV-MXWKQRLJSA-N 2 0 225.336 0.337 20 0 BCADRP COC[C@H](C)CN(CC[NH+](C)C)CC[NH+](C)C ZINC000579175433 366726888 /nfs/dbraw/zinc/72/68/88/366726888.db2.gz SNPOLWYCTNNYNV-CYBMUJFWSA-N 2 0 245.411 0.694 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCCC1 ZINC000044726844 181328915 /nfs/dbraw/zinc/32/89/15/181328915.db2.gz NPWJVJBQXIVNHV-JTQLQIEISA-N 2 0 237.347 0.611 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])CC(F)F ZINC000579228962 366739213 /nfs/dbraw/zinc/73/92/13/366739213.db2.gz SELHMWKVYDOOCH-PRJMDXOYSA-N 2 0 235.278 0.083 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000622044922 370673978 /nfs/dbraw/zinc/67/39/78/370673978.db2.gz XXCZAWVZCTUSIH-WCABBAIRSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H]([NH2+]CC1(CO)CCCC1)C1C[NH2+]C1 ZINC000622044082 370675846 /nfs/dbraw/zinc/67/58/46/370675846.db2.gz UKPURZISGKZGSG-JTQLQIEISA-N 2 0 212.337 0.737 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH3+] ZINC000428482533 201024620 /nfs/dbraw/zinc/02/46/20/201024620.db2.gz OZKVTTIACFUQPU-AOOOYVTPSA-N 2 0 213.325 0.324 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000622044961 370678324 /nfs/dbraw/zinc/67/83/24/370678324.db2.gz YRXGSOKUPQFCPQ-UPJWGTAASA-N 2 0 239.363 0.857 20 0 BCADRP CC(=O)N1CC[C@@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000622044920 370678387 /nfs/dbraw/zinc/67/83/87/370678387.db2.gz XXCZAWVZCTUSIH-FXPVBKGRSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H](CC(=O)N(C)C)[NH2+]CC[C@H](C)[NH3+] ZINC000622045785 370679596 /nfs/dbraw/zinc/67/95/96/370679596.db2.gz ZAPXZGHEBRUHOT-DTWKUNHWSA-N 2 0 201.314 0.180 20 0 BCADRP CCS(=O)(=O)C[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000622045361 370679914 /nfs/dbraw/zinc/67/99/14/370679914.db2.gz PHTBHZJOVDSHGP-IUCAKERBSA-N 2 0 222.354 0.137 20 0 BCADRP OCC[NH+]1CCC(C[NH2+]Cc2cocn2)CC1 ZINC000428871541 201047652 /nfs/dbraw/zinc/04/76/52/201047652.db2.gz JNEIEXXEYAZRDA-UHFFFAOYSA-N 2 0 239.319 0.469 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000428983123 201056230 /nfs/dbraw/zinc/05/62/30/201056230.db2.gz UYIOECQVOJPVTM-WOPDTQHZSA-N 2 0 241.379 0.864 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000429276827 201089382 /nfs/dbraw/zinc/08/93/82/201089382.db2.gz XJAKXUGINJGKQZ-GFCCVEGCSA-N 2 0 229.368 0.818 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000429165251 201075409 /nfs/dbraw/zinc/07/54/09/201075409.db2.gz SHUKRAMJXDYTKW-NWDGAFQWSA-N 2 0 241.379 0.914 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[NH+](C)C ZINC000429162731 201075674 /nfs/dbraw/zinc/07/56/74/201075674.db2.gz YPLNIDAUQULIJF-WOPDTQHZSA-N 2 0 241.379 0.768 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)[NH+](C)C ZINC000429162721 201076585 /nfs/dbraw/zinc/07/65/85/201076585.db2.gz YPLNIDAUQULIJF-SRVKXCTJSA-N 2 0 241.379 0.768 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C1(C[NH3+])CCCC1 ZINC000429193675 201078216 /nfs/dbraw/zinc/07/82/16/201078216.db2.gz MPKDOUDKEXWYOF-JTQLQIEISA-N 2 0 227.352 0.605 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH3+])C(C)C ZINC000429189008 201078352 /nfs/dbraw/zinc/07/83/52/201078352.db2.gz ATRJMORIIAZFKA-NWDGAFQWSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)[C@H]1C[NH3+] ZINC000429192586 201078894 /nfs/dbraw/zinc/07/88/94/201078894.db2.gz IDRIARYGFTWIQV-VWYCJHECSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H]2CCC[NH2+]2)CCCCCC1 ZINC000237832244 181331464 /nfs/dbraw/zinc/33/14/64/181331464.db2.gz DKZDLZKIGOFFLD-NSHDSACASA-N 2 0 239.363 0.906 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@]2(C)CC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000429396222 201105406 /nfs/dbraw/zinc/10/54/06/201105406.db2.gz BAQHLHDOHDXBNP-FOGDFJRCSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H]([NH2+]CCOCCC[NH3+])c1cnn(C)c1 ZINC000629539196 361405206 /nfs/dbraw/zinc/40/52/06/361405206.db2.gz OYZFHUGMFIPGJE-GFCCVEGCSA-N 2 0 240.351 0.826 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]C ZINC000429391758 201106912 /nfs/dbraw/zinc/10/69/12/201106912.db2.gz BCENZLDKVQAILS-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000579332667 366755099 /nfs/dbraw/zinc/75/50/99/366755099.db2.gz VTPYVUBVGADJIQ-YFKTTZPYSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000579332665 366760551 /nfs/dbraw/zinc/76/05/51/366760551.db2.gz VTPYVUBVGADJIQ-QCNOEVLYSA-N 2 0 239.363 0.713 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000429485668 201110686 /nfs/dbraw/zinc/11/06/86/201110686.db2.gz ULFHJQRMGKWIPT-UHFFFAOYSA-N 2 0 229.368 0.772 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000579332967 366760923 /nfs/dbraw/zinc/76/09/23/366760923.db2.gz IQYNLMYBZORWMS-QWRGUYRKSA-N 2 0 227.352 0.583 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000579343040 366761865 /nfs/dbraw/zinc/76/18/65/366761865.db2.gz HQYIXFZXSPBRPS-DCAQKATOSA-N 2 0 239.363 0.557 20 0 BCADRP Cc1noc(CCC[N@@H+]2CCC[C@@H](C[NH3+])C2)n1 ZINC000579354819 366767199 /nfs/dbraw/zinc/76/71/99/366767199.db2.gz NDMRHPIFMMIJNX-NSHDSACASA-N 2 0 238.335 0.981 20 0 BCADRP C[C@@H](NCCOCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000629537476 361400654 /nfs/dbraw/zinc/40/06/54/361400654.db2.gz JMNVULKAWTYSAS-MNOVXSKESA-N 2 0 215.341 0.082 20 0 BCADRP C[C@@H]([NH2+]CCOCCC[NH3+])[C@@H]1CCCO1 ZINC000629537163 361401046 /nfs/dbraw/zinc/40/10/46/361401046.db2.gz JAICSHADXCNUEW-MNOVXSKESA-N 2 0 216.325 0.509 20 0 BCADRP CCO[C@@H](C[N@H+](C)C[C@@H](O)C[NH3+])C1CC1 ZINC000629537318 361401486 /nfs/dbraw/zinc/40/14/86/361401486.db2.gz ORBOFOIFAYACIW-QWRGUYRKSA-N 2 0 216.325 0.053 20 0 BCADRP C[C@H]([NH2+]CCOCCC[NH3+])c1cnn(C)c1 ZINC000629538024 361402531 /nfs/dbraw/zinc/40/25/31/361402531.db2.gz LPAQDPNROBXANJ-JTQLQIEISA-N 2 0 226.324 0.436 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000429324020 201101585 /nfs/dbraw/zinc/10/15/85/201101585.db2.gz YYJCXJMKNVZBQM-GMTAPVOTSA-N 2 0 227.352 0.665 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000629539218 361403488 /nfs/dbraw/zinc/40/34/88/361403488.db2.gz OUIYWKGHCPGBOV-WDEREUQCSA-N 3 0 215.341 0.211 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429556877 201116181 /nfs/dbraw/zinc/11/61/81/201116181.db2.gz ZEWMPQSUWCNWRK-QWHCGFSZSA-N 2 0 244.379 0.800 20 0 BCADRP C[C@H]([NH2+]CCOCCC[NH3+])c1cnccc1N ZINC000629540619 361415628 /nfs/dbraw/zinc/41/56/28/361415628.db2.gz VUSNZKUSMNFANP-JTQLQIEISA-N 2 0 238.335 0.510 20 0 BCADRP CC[C@H](NCCOCCC[NH3+])[C@@H]1CCC[NH2+]1 ZINC000629540593 361414068 /nfs/dbraw/zinc/41/40/68/361414068.db2.gz VDXPFEZJUDFFHK-RYUDHWBXSA-N 2 0 229.368 0.472 20 0 BCADRP C[C@@H]1CC[C@@H](N[C@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC000629540355 361414085 /nfs/dbraw/zinc/41/40/85/361414085.db2.gz OXIHBIAWTNRNRO-GRYCIOLGSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H]1CC[C@H](N[C@@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC000629540361 361414459 /nfs/dbraw/zinc/41/44/59/361414459.db2.gz OXIHBIAWTNRNRO-UTUOFQBUSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CCOCCC[NH3+])[C@H](C)O1 ZINC000629540010 361414500 /nfs/dbraw/zinc/41/45/00/361414500.db2.gz RTEUXINAUAISBK-VWYCJHECSA-N 2 0 216.325 0.507 20 0 BCADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccn(C)n1 ZINC000629540422 361414647 /nfs/dbraw/zinc/41/46/47/361414647.db2.gz ULIRLUMMUKIVRR-SNVBAGLBSA-N 2 0 226.324 0.436 20 0 BCADRP CO[C@H]1CCC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629540656 361415338 /nfs/dbraw/zinc/41/53/38/361415338.db2.gz WJLLQQHWKXNQAJ-NEPJUHHUSA-N 2 0 230.352 0.899 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000629544568 361423341 /nfs/dbraw/zinc/42/33/41/361423341.db2.gz IMOSBAYEKIYSDS-IRCOFANPSA-N 2 0 211.353 0.986 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(CC2(C[NH3+])CC2)C1 ZINC000579473314 366820610 /nfs/dbraw/zinc/82/06/10/366820610.db2.gz PURPCGQJFIMBTD-NSHDSACASA-N 2 0 211.353 0.657 20 0 BCADRP OC[C@H](N[C@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000579473409 366820968 /nfs/dbraw/zinc/82/09/68/366820968.db2.gz UFERQVDSRWSFEJ-WOPDTQHZSA-N 2 0 228.336 0.116 20 0 BCADRP C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000629545679 361426334 /nfs/dbraw/zinc/42/63/34/361426334.db2.gz MIQLFQUESYUXHF-WHOHXGKFSA-N 2 0 211.353 0.857 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629546192 361427916 /nfs/dbraw/zinc/42/79/16/361427916.db2.gz OXUHRYAHHXSKNE-XQQFMLRXSA-N 2 0 241.379 0.031 20 0 BCADRP CC[N@@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000629546429 361427929 /nfs/dbraw/zinc/42/79/29/361427929.db2.gz WWNDESOMUPWAEZ-IJLUTSLNSA-N 2 0 211.353 0.668 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000629546909 361429733 /nfs/dbraw/zinc/42/97/33/361429733.db2.gz ITZOMSUQCXCPCR-YNEHKIRRSA-N 2 0 242.363 0.897 20 0 BCADRP C[C@H](NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000629547400 361430347 /nfs/dbraw/zinc/43/03/47/361430347.db2.gz SLBTZNDENFJXAG-XQQFMLRXSA-N 2 0 241.379 0.173 20 0 BCADRP C[C@@H](NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000629556563 361450188 /nfs/dbraw/zinc/45/01/88/361450188.db2.gz SLBTZNDENFJXAG-AGIUHOORSA-N 2 0 241.379 0.173 20 0 BCADRP C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000629541714 361416409 /nfs/dbraw/zinc/41/64/09/361416409.db2.gz UTCUBHWXOAFESL-RHYQMDGZSA-N 2 0 211.353 0.857 20 0 BCADRP C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000629541713 361416743 /nfs/dbraw/zinc/41/67/43/361416743.db2.gz UTCUBHWXOAFESL-NOOOWODRSA-N 2 0 211.353 0.857 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542119 361417966 /nfs/dbraw/zinc/41/79/66/361417966.db2.gz YPCNFOHLKGZUPQ-WISYIIOYSA-N 2 0 211.353 0.667 20 0 BCADRP C[C@@H]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC000629542057 361418016 /nfs/dbraw/zinc/41/80/16/361418016.db2.gz XSKTUJFPXDRWFK-HENWMNBSSA-N 2 0 223.364 1.000 20 0 BCADRP CCn1cc([C@H](C)[NH2+]CCOCCC[NH3+])cn1 ZINC000629542187 361418022 /nfs/dbraw/zinc/41/80/22/361418022.db2.gz WLXRAJDDONCYSW-NSHDSACASA-N 2 0 240.351 0.919 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000629563923 361458345 /nfs/dbraw/zinc/45/83/45/361458345.db2.gz IJRWJOBYLZDDGJ-NWDGAFQWSA-N 3 0 211.353 0.716 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)CCn1cc(C)cn1 ZINC000629572184 361463717 /nfs/dbraw/zinc/46/37/17/361463717.db2.gz OGUUBKMPUYCUJS-UHFFFAOYSA-N 2 0 240.351 0.359 20 0 BCADRP C[N@H+](CCCC1CC[NH2+]CC1)CCOCC[NH3+] ZINC000629580463 361465126 /nfs/dbraw/zinc/46/51/26/361465126.db2.gz CNZWFYUXBRPXFT-UHFFFAOYSA-N 3 0 243.395 0.673 20 0 BCADRP COCC[C@H](C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629580145 361465727 /nfs/dbraw/zinc/46/57/27/361465727.db2.gz NFRHPAOSDWNXJU-QWHCGFSZSA-N 2 0 244.379 0.705 20 0 BCADRP COCC[C@@H](C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629580144 361466496 /nfs/dbraw/zinc/46/64/96/361466496.db2.gz NFRHPAOSDWNXJU-OLZOCXBDSA-N 2 0 244.379 0.705 20 0 BCADRP CC(C)N(C)C(=O)[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000629576569 361466522 /nfs/dbraw/zinc/46/65/22/361466522.db2.gz APMFICZVVYDDCG-NSHDSACASA-N 2 0 245.367 0.149 20 0 BCADRP OCC1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCC1 ZINC000629583883 361467735 /nfs/dbraw/zinc/46/77/35/361467735.db2.gz JXUDMLHSRJWZRL-GFCCVEGCSA-N 2 0 242.363 0.195 20 0 BCADRP C/C=C\C[C@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629583909 361468915 /nfs/dbraw/zinc/46/89/15/361468915.db2.gz LCXMOOXEXVGQGT-FAQRPARDSA-N 2 0 242.363 0.360 20 0 BCADRP CCc1nnc([C@H](C)N(C)CCOCC[NH3+])[nH]1 ZINC000629580718 361469365 /nfs/dbraw/zinc/46/93/65/361469365.db2.gz FLMYDGCLZNSUOK-VIFPVBQESA-N 2 0 241.339 0.335 20 0 BCADRP CCO[C@H](C[N@H+](C)CCOCC[NH3+])C1CC1 ZINC000629581294 361471274 /nfs/dbraw/zinc/47/12/74/361471274.db2.gz UZGAUPLWZKJEGC-GFCCVEGCSA-N 2 0 230.352 0.709 20 0 BCADRP C[NH2+]C[C@@](C)(O)CN1CCO[C@@H](CCF)C1 ZINC000629580955 361471362 /nfs/dbraw/zinc/47/13/62/361471362.db2.gz HFGSGMIFBPKPPB-WDEREUQCSA-N 2 0 234.315 0.017 20 0 BCADRP CCO[C@@H](C[N@H+](C)CCOCC[NH3+])C1CC1 ZINC000629581295 361471556 /nfs/dbraw/zinc/47/15/56/361471556.db2.gz UZGAUPLWZKJEGC-LBPRGKRZSA-N 2 0 230.352 0.709 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000433172917 201162884 /nfs/dbraw/zinc/16/28/84/201162884.db2.gz DTCHHFAMMSEIJK-AXFHLTTASA-N 2 0 227.352 0.426 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1CCCC[C@H]1C[NH3+] ZINC000433169231 201164110 /nfs/dbraw/zinc/16/41/10/201164110.db2.gz VUNRRPMYQZRMHE-WDEREUQCSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@H]([NH3+])CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561841 361456792 /nfs/dbraw/zinc/45/67/92/361456792.db2.gz JTKMLEQSDXOVDR-XHNCKOQMSA-N 2 0 239.285 0.793 20 0 BCADRP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000629567259 361457687 /nfs/dbraw/zinc/45/76/87/361457687.db2.gz JCAOPNIFMXZEID-LBPRGKRZSA-N 3 0 229.368 0.154 20 0 BCADRP CC[C@H](C(=O)NCCC[NH2+]C(C)C)[NH+](C)C ZINC000629612625 361499620 /nfs/dbraw/zinc/49/96/20/361499620.db2.gz FYFCXMXDBSIHFQ-LLVKDONJSA-N 2 0 229.368 0.831 20 0 BCADRP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]C)C1)[NH+](C)C ZINC000629610676 361500580 /nfs/dbraw/zinc/50/05/80/361500580.db2.gz DUNWZHTXGJHJRT-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@H](C(=O)NC[C@@H](C)C[NH3+])[NH+](C)C ZINC000629611769 361501360 /nfs/dbraw/zinc/50/13/60/361501360.db2.gz FLNFUNUVDSCLKQ-DTWKUNHWSA-N 2 0 201.314 0.038 20 0 BCADRP CC[C@@H](C(=O)NC[C@@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000629611733 361501520 /nfs/dbraw/zinc/50/15/20/361501520.db2.gz CXRHNIXTXZXWOW-AAEUAGOBSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000629612034 361502402 /nfs/dbraw/zinc/50/24/02/361502402.db2.gz PPYGFXCBZMWBOP-GRYCIOLGSA-N 2 0 239.363 0.680 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H]([NH3+])C1CC1)[NH+](C)C ZINC000629612175 361502446 /nfs/dbraw/zinc/50/24/46/361502446.db2.gz WFYHEFWCSMRHSU-ZJUUUORDSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[NH+](C)C ZINC000629614915 361503453 /nfs/dbraw/zinc/50/34/53/361503453.db2.gz KGVQPTGAXRWPMV-NQBHXWOUSA-N 2 0 241.379 0.770 20 0 BCADRP CC[C@@H](C(=O)NCCC1CC[NH2+]CC1)[NH+](C)C ZINC000629616131 361506404 /nfs/dbraw/zinc/50/64/04/361506404.db2.gz XRUWRDONTYWSIH-LBPRGKRZSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@H](C(=O)N1CCC(C)([NH3+])CC1)[NH+](C)C ZINC000629613458 361508074 /nfs/dbraw/zinc/50/80/74/361508074.db2.gz OSPXGZXCMPRNFH-JTQLQIEISA-N 2 0 227.352 0.666 20 0 BCADRP CC[C@H](C(=O)N1CCC(C)([NH3+])CC1)[NH+](C)C ZINC000629613460 361508108 /nfs/dbraw/zinc/50/81/08/361508108.db2.gz OSPXGZXCMPRNFH-SNVBAGLBSA-N 2 0 227.352 0.666 20 0 BCADRP CC[C@H](C(=O)N[C@H](CC[NH3+])C(F)F)[NH+](C)C ZINC000629613796 361508409 /nfs/dbraw/zinc/50/84/09/361508409.db2.gz SXBIZNJXPSTPRP-HTQZYQBOSA-N 2 0 237.294 0.425 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@@H](C)COC ZINC000629655556 361560060 /nfs/dbraw/zinc/56/00/60/361560060.db2.gz ZMTPHFWYHPIYKT-OUAUKWLOSA-N 2 0 200.326 0.999 20 0 BCADRP C[C@@H]1CC[C@@H](NC[C@@]2(C)CC[NH2+]C2)C[NH2+]1 ZINC000629659742 361564123 /nfs/dbraw/zinc/56/41/23/361564123.db2.gz GAJHHDYZNKVVMM-UTUOFQBUSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H]1CC[C@H](NC[C@@]23C[C@@H]2C[NH2+]C3)C[NH2+]1 ZINC000629660141 361564602 /nfs/dbraw/zinc/56/46/02/361564602.db2.gz OMRPCSPBUPIBJJ-WYUUTHIRSA-N 2 0 209.337 0.326 20 0 BCADRP C[C@H]1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)CN1 ZINC000629660310 361565716 /nfs/dbraw/zinc/56/57/16/361565716.db2.gz RJRRLUUTVOSUDB-CMPLNLGQSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H]1CC[C@@H](NC[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000629660296 361566278 /nfs/dbraw/zinc/56/62/78/361566278.db2.gz REZSLBREMGAETR-IJLUTSLNSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H]1CC[C@H](NC[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000629660297 361566355 /nfs/dbraw/zinc/56/63/55/361566355.db2.gz REZSLBREMGAETR-UTUOFQBUSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@]1(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC[NH2+]C1 ZINC000152089496 201189308 /nfs/dbraw/zinc/18/93/08/201189308.db2.gz QJIKIWBWOFIOPO-TZMCWYRMSA-N 2 0 247.342 0.802 20 0 BCADRP CC1(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000629652144 361549662 /nfs/dbraw/zinc/54/96/62/361549662.db2.gz BEJFIIRDYAEMGV-UHFFFAOYSA-N 2 0 222.292 0.531 20 0 BCADRP COC[C@@H](C)C[NH2+]CC1([NH3+])CCOCC1 ZINC000629653012 361551213 /nfs/dbraw/zinc/55/12/13/361551213.db2.gz DVEPAWYAAXQRGY-JTQLQIEISA-N 2 0 216.325 0.366 20 0 BCADRP CC[C@@H](C)C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629654034 361554538 /nfs/dbraw/zinc/55/45/38/361554538.db2.gz UFNIXRXGGAOGDK-MRVPVSSYSA-N 2 0 224.308 0.777 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CC2=CCCOC2)C1 ZINC000629651527 361556992 /nfs/dbraw/zinc/55/69/92/361556992.db2.gz IWXBFEQDQHIHDX-NSHDSACASA-N 2 0 210.321 0.874 20 0 BCADRP CC(C)([NH3+])CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629661661 361594958 /nfs/dbraw/zinc/59/49/58/361594958.db2.gz BFDWNKMEHARHIX-TXEJJXNPSA-N 2 0 211.353 0.655 20 0 BCADRP [NH3+]CCCNc1ccc2c(c1)OCC[NH2+]C2 ZINC000629665984 361587852 /nfs/dbraw/zinc/58/78/52/361587852.db2.gz ZNMZJZDOTBXALB-UHFFFAOYSA-N 2 0 221.304 0.929 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)[NH+](C)C ZINC000153295732 201227862 /nfs/dbraw/zinc/22/78/62/201227862.db2.gz JJCJUQJASPOGIR-SRVKXCTJSA-N 2 0 241.379 0.781 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000434697415 201233504 /nfs/dbraw/zinc/23/35/04/201233504.db2.gz ONEBIJKOORCXIB-JFGNBEQYSA-N 2 0 239.363 0.713 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)CC[C@H](C)[NH3+] ZINC000434689416 201233943 /nfs/dbraw/zinc/23/39/43/201233943.db2.gz WDJLNSOAKUXBQA-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)CC[C@@H](C)[NH3+] ZINC000434689415 201234398 /nfs/dbraw/zinc/23/43/98/201234398.db2.gz WDJLNSOAKUXBQA-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[NH+](C)C ZINC000153438798 201235533 /nfs/dbraw/zinc/23/55/33/201235533.db2.gz JJCJUQJASPOGIR-IJLUTSLNSA-N 2 0 241.379 0.781 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000434712117 201236845 /nfs/dbraw/zinc/23/68/45/201236845.db2.gz UEDDKRYXIAPOLE-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP CC[NH+](CC)CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435239856 201257692 /nfs/dbraw/zinc/25/76/92/201257692.db2.gz LUFGSLKEPZFOOL-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435236782 201257951 /nfs/dbraw/zinc/25/79/51/201257951.db2.gz KRAQMWARQOSHDK-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP [NH3+]CCN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435617958 201279540 /nfs/dbraw/zinc/27/95/40/201279540.db2.gz RHURJKLRIZZVAM-AWEZNQCLSA-N 2 0 248.374 0.984 20 0 BCADRP [NH3+]CCN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435617962 201280277 /nfs/dbraw/zinc/28/02/77/201280277.db2.gz RHURJKLRIZZVAM-CQSZACIVSA-N 2 0 248.374 0.984 20 0 BCADRP C[NH2+]CCC[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000435881479 201292197 /nfs/dbraw/zinc/29/21/97/201292197.db2.gz BHCVGUAQYXUWQE-CYBMUJFWSA-N 2 0 241.379 0.393 20 0 BCADRP CCCNC(=O)C1CC[NH+](CCC[NH2+]C)CC1 ZINC000435870218 201290021 /nfs/dbraw/zinc/29/00/21/201290021.db2.gz FCNATAMHIITHDM-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH2+]CCC[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000435876020 201293920 /nfs/dbraw/zinc/29/39/20/201293920.db2.gz GJLICEBSXIJROR-NSHDSACASA-N 2 0 222.336 0.819 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436295446 201319332 /nfs/dbraw/zinc/31/93/32/201319332.db2.gz HCZHVIZGYHQHQG-CKYFFXLPSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436300099 201320546 /nfs/dbraw/zinc/32/05/46/201320546.db2.gz LGXKGMIFNWKUBP-HOSYDEDBSA-N 2 0 225.336 0.087 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCn1ccnc1 ZINC000155684947 201346405 /nfs/dbraw/zinc/34/64/05/201346405.db2.gz RAIPGGPAACBXRA-NEPJUHHUSA-N 2 0 222.336 0.813 20 0 BCADRP COc1cccc(C[C@H](C)[NH2+]CCC[NH3+])n1 ZINC000437788606 201373989 /nfs/dbraw/zinc/37/39/89/201373989.db2.gz UOGYRELKAQCRBD-JTQLQIEISA-N 2 0 223.320 0.960 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627244666 363848428 /nfs/dbraw/zinc/84/84/28/363848428.db2.gz FRZDZPBNJIXDBF-XWLWVQCSSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000627246320 363849613 /nfs/dbraw/zinc/84/96/13/363849613.db2.gz ZPHYABAZWVSTGU-LNFKQOIKSA-N 2 0 240.351 0.306 20 0 BCADRP C[NH+](C)CC(=O)NCC1CC[NH+](C)CC1 ZINC000170761326 364169124 /nfs/dbraw/zinc/16/91/24/364169124.db2.gz UOMNRRSWWYICPF-UHFFFAOYSA-N 2 0 213.325 0.006 20 0 BCADRP [NH3+]CC1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000195272161 181359336 /nfs/dbraw/zinc/35/93/36/181359336.db2.gz RCEMYTGPRNBKRW-PHIMTYICSA-N 2 0 237.347 0.183 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CC1 ZINC000614979979 364268721 /nfs/dbraw/zinc/26/87/21/364268721.db2.gz YIPMTCIXJMZDJL-NSHDSACASA-N 2 0 241.379 0.926 20 0 BCADRP CC[C@@H]([NH3+])c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630604503 364328411 /nfs/dbraw/zinc/32/84/11/364328411.db2.gz AQZRBWPOVWFXPU-DTWKUNHWSA-N 2 0 209.297 0.440 20 0 BCADRP c1c(C[NH2+]C2CC2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000630604498 364328537 /nfs/dbraw/zinc/32/85/37/364328537.db2.gz SMONPNFJJKYYTG-JTQLQIEISA-N 2 0 221.308 0.282 20 0 BCADRP CCC[C@H]([NH3+])c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630606481 364329459 /nfs/dbraw/zinc/32/94/59/364329459.db2.gz YNFLEBCLTKIDEF-ZJUUUORDSA-N 2 0 223.324 0.830 20 0 BCADRP c1c(C[C@H]2CC[NH2+]C2)nnn1C[C@H]1CCC[NH2+]1 ZINC000630605757 364336554 /nfs/dbraw/zinc/33/65/54/364336554.db2.gz OWFRIFUJXNOMSR-GHMZBOCLSA-N 2 0 235.335 0.182 20 0 BCADRP c1c(C[C@H]2CC[NH2+]C2)nnn1C1CC[NH2+]CC1 ZINC000630592198 364306316 /nfs/dbraw/zinc/30/63/16/364306316.db2.gz NCZMEDFBLUKABT-SNVBAGLBSA-N 2 0 235.335 0.355 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000373565228 181366379 /nfs/dbraw/zinc/36/63/79/181366379.db2.gz ZEPSVZVHHVLRPI-MNOVXSKESA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]CCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370773967 181367058 /nfs/dbraw/zinc/36/70/58/181367058.db2.gz QBSVPYRWUXJCSE-QJPTWQEYSA-N 2 0 237.347 0.278 20 0 BCADRP [NH3+]CCC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000377580344 181370295 /nfs/dbraw/zinc/37/02/95/181370295.db2.gz KYAPUHQGDPCYFX-LURJTMIESA-N 2 0 240.332 0.246 20 0 BCADRP O=C(C1C[NH2+]C1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000573323510 364799621 /nfs/dbraw/zinc/79/96/21/364799621.db2.gz LMDIDQKPVRPNLU-NWDGAFQWSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+]CCCC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000370710149 181371245 /nfs/dbraw/zinc/37/12/45/181371245.db2.gz WSWWURDSWAFOAA-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000573266193 364790446 /nfs/dbraw/zinc/79/04/46/364790446.db2.gz WHFWDWUQDDOISW-GXFFZTMASA-N 2 0 247.342 0.679 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000573499392 364848217 /nfs/dbraw/zinc/84/82/17/364848217.db2.gz TYYAWWDWFYKARQ-WOPDTQHZSA-N 2 0 229.368 0.016 20 0 BCADRP C[NH2+]CC1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000573367436 364812099 /nfs/dbraw/zinc/81/20/99/364812099.db2.gz ZNKHMXUFTOGARO-UHFFFAOYSA-N 2 0 239.363 0.573 20 0 BCADRP CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000573437176 364829881 /nfs/dbraw/zinc/82/98/81/364829881.db2.gz UEPVGEGAJYEBDH-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)c1coc(C[NH3+])c1 ZINC000573444109 364833680 /nfs/dbraw/zinc/83/36/80/364833680.db2.gz HWYIPMINNZHFRO-RQJHMYQMSA-N 2 0 211.265 0.204 20 0 BCADRP O=C([C@H]1CCCC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000573446128 364835029 /nfs/dbraw/zinc/83/50/29/364835029.db2.gz PLJOUUNFVCMIHV-QJPTWQEYSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)([NH3+])C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000573565386 364863342 /nfs/dbraw/zinc/86/33/42/364863342.db2.gz IHOYWJRCUSRKAL-SECBINFHSA-N 2 0 248.330 0.573 20 0 BCADRP C[C@@]1(CN[C@@H](CC[NH3+])C(F)(F)F)CC[NH2+]C1 ZINC000573488668 364845563 /nfs/dbraw/zinc/84/55/63/364845563.db2.gz BPABQNDYXIFFGA-DTWKUNHWSA-N 2 0 239.285 0.855 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000573605908 364872405 /nfs/dbraw/zinc/87/24/05/364872405.db2.gz NROTVJWGRBJUCX-WDEREUQCSA-N 2 0 227.352 0.429 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000573667604 364888193 /nfs/dbraw/zinc/88/81/93/364888193.db2.gz RTLFCEILYGRSDN-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP CNC(=O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000069730434 541386153 /nfs/dbraw/zinc/38/61/53/541386153.db2.gz QIANFVOUNHPQRH-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@H]2O)C[C@H]1[NH3+] ZINC000328525609 364866165 /nfs/dbraw/zinc/86/61/65/364866165.db2.gz UAJRZGYJBNHKJC-WRWGMCAJSA-N 2 0 212.337 0.817 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000573741771 364907827 /nfs/dbraw/zinc/90/78/27/364907827.db2.gz QPOPGYFGURDIKD-ONGXEEELSA-N 2 0 233.315 0.511 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000573799726 364912641 /nfs/dbraw/zinc/91/26/41/364912641.db2.gz AECFYQOWLHBCSW-HLTSFMKQSA-N 2 0 216.329 0.149 20 0 BCADRP [NH3+]CCCCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000369169074 181377293 /nfs/dbraw/zinc/37/72/93/181377293.db2.gz XTJGCCFBCDTQQA-ZYHUDNBSSA-N 2 0 225.336 0.231 20 0 BCADRP CNC(=O)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151311053 541440845 /nfs/dbraw/zinc/44/08/45/541440845.db2.gz KARALMCSCLDULK-UHFFFAOYSA-N 2 0 248.330 0.340 20 0 BCADRP C[NH2+]C[C@](C)(O)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000574212044 365008236 /nfs/dbraw/zinc/00/82/36/365008236.db2.gz GNGKBXRQXCDPSL-OLZOCXBDSA-N 2 0 241.379 0.127 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000574210701 365010782 /nfs/dbraw/zinc/01/07/82/365010782.db2.gz XCFMMINSNNVBNR-UWVGGRQHSA-N 2 0 215.341 0.570 20 0 BCADRP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)C1CC1)[NH+](C)C ZINC000162174190 541446795 /nfs/dbraw/zinc/44/67/95/541446795.db2.gz PECIJZIQCARMPP-JQWIXIFHSA-N 2 0 241.379 0.926 20 0 BCADRP [NH3+]CCCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071401081 181380845 /nfs/dbraw/zinc/38/08/45/181380845.db2.gz WZTYOJUCCFZFHP-GFCCVEGCSA-N 2 0 235.331 0.932 20 0 BCADRP [NH3+]CCCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368116951 181382008 /nfs/dbraw/zinc/38/20/08/181382008.db2.gz ZIGCZLDJOZKSSA-WDEREUQCSA-N 2 0 225.336 0.087 20 0 BCADRP [NH3+]CCN1CC[NH+](CCc2ccccc2)CC1 ZINC000019933519 181392047 /nfs/dbraw/zinc/39/20/47/181392047.db2.gz OGLLKVSBWCYXPQ-UHFFFAOYSA-N 2 0 233.359 0.805 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000574398171 365052820 /nfs/dbraw/zinc/05/28/20/365052820.db2.gz RPOLIDRNHPNGRJ-GMTAPVOTSA-N 2 0 244.383 0.785 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C1CC[NH+](C)CC1 ZINC000574451939 365065032 /nfs/dbraw/zinc/06/50/32/365065032.db2.gz XITSGZPTFVBSLK-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000574262209 365021494 /nfs/dbraw/zinc/02/14/94/365021494.db2.gz NVUMCJJYGDDQMN-JTQLQIEISA-N 2 0 227.352 0.631 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000574279526 365027228 /nfs/dbraw/zinc/02/72/28/365027228.db2.gz KFQMEDQGZKDPOF-NAKRPEOUSA-N 2 0 227.352 0.617 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574284207 365029787 /nfs/dbraw/zinc/02/97/87/365029787.db2.gz PGNSQXUNFJHCHB-GRYCIOLGSA-N 2 0 214.353 0.935 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000574321490 365036390 /nfs/dbraw/zinc/03/63/90/365036390.db2.gz YCNABQUXIIVMGR-MNOVXSKESA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]Cc1cc(C(=O)NCCC[NH2+]C2CC2)ccn1 ZINC000574520104 365082061 /nfs/dbraw/zinc/08/20/61/365082061.db2.gz CVOMXSNXWCTEAW-UHFFFAOYSA-N 2 0 248.330 0.412 20 0 BCADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@@](C)(O)C[NH2+]C ZINC000574525561 365083655 /nfs/dbraw/zinc/08/36/55/365083655.db2.gz RCYTYVYCHYABBG-AXFHLTTASA-N 2 0 202.342 0.981 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)CC1CC[NH2+]CC1 ZINC000574571245 365091667 /nfs/dbraw/zinc/09/16/67/365091667.db2.gz CFSLFDIGJWGFMF-JTQLQIEISA-N 2 0 213.325 0.230 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000433157328 192988318 /nfs/dbraw/zinc/98/83/18/192988318.db2.gz FPLGBNRNFDGJOF-RYUDHWBXSA-N 2 0 241.379 0.674 20 0 BCADRP O=C(NCCC[NH2+]C1CC1)C1CC[NH2+]CC1 ZINC000574638973 365108521 /nfs/dbraw/zinc/10/85/21/365108521.db2.gz NFEBOWCJJAZDCH-UHFFFAOYSA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCc2ccc(O)cc2C1 ZINC000357076271 181399461 /nfs/dbraw/zinc/39/94/61/181399461.db2.gz IIZDTZJMPZOKAL-UHFFFAOYSA-N 2 0 236.315 0.726 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)[C@H]3CC[NH2+]C3)[C@@H]2C1 ZINC000574689497 365121080 /nfs/dbraw/zinc/12/10/80/365121080.db2.gz JVKNFRXJFDQDJP-SDDRHHMPSA-N 2 0 237.347 0.149 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000574690755 365122346 /nfs/dbraw/zinc/12/23/46/365122346.db2.gz LBPOMQGILGIWGQ-WYUUTHIRSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000433131747 192984188 /nfs/dbraw/zinc/98/41/88/192984188.db2.gz KZOXZFKKZQZPLM-WCQYABFASA-N 2 0 241.379 0.723 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000574516886 365078514 /nfs/dbraw/zinc/07/85/14/365078514.db2.gz IHVXBHYKKABVFZ-JTQLQIEISA-N 2 0 227.352 0.395 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCCC[NH2+]C1CC1 ZINC000574877915 365166924 /nfs/dbraw/zinc/16/69/24/365166924.db2.gz MNGUFEHHOCIHSG-UHFFFAOYSA-N 2 0 227.352 0.633 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000575057906 365180963 /nfs/dbraw/zinc/18/09/63/365180963.db2.gz VBDLBTXQCYAIAC-LBPRGKRZSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]Cc1ccc(CNC(=O)C[NH2+]CC2CC2)cc1 ZINC000575061077 365182045 /nfs/dbraw/zinc/18/20/45/365182045.db2.gz WROPQOKNWRLBNC-UHFFFAOYSA-N 2 0 247.342 0.761 20 0 BCADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1C[NH2+]C1 ZINC000574799858 365146302 /nfs/dbraw/zinc/14/63/02/365146302.db2.gz MKTXDOLWVPQWRM-WDEREUQCSA-N 2 0 211.353 0.859 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000191987747 365221300 /nfs/dbraw/zinc/22/13/00/365221300.db2.gz LGNJNSZUVSVEMG-QWRGUYRKSA-N 2 0 241.379 0.818 20 0 BCADRP CC[C@@H]1CN(C)CC[N@@H+]1CCn1ccnc1 ZINC000575176002 365228692 /nfs/dbraw/zinc/22/86/92/365228692.db2.gz AMEDEECPDSREET-GFCCVEGCSA-N 2 0 222.336 0.909 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444181124 193039355 /nfs/dbraw/zinc/03/93/55/193039355.db2.gz JFJVLWAKLUHNRC-OUAUKWLOSA-N 2 0 225.336 0.337 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000444179216 193039650 /nfs/dbraw/zinc/03/96/50/193039650.db2.gz YTGBDQPHAHTJKE-GHMZBOCLSA-N 2 0 225.336 0.339 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444260626 193042620 /nfs/dbraw/zinc/04/26/20/193042620.db2.gz SVIATWUEFQZOMC-AXFHLTTASA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@]1(C(=O)NCC[C@H]2CCC[NH2+]2)CCCC[NH2+]1 ZINC000444259877 193042982 /nfs/dbraw/zinc/04/29/82/193042982.db2.gz PCEXZLBRLMWBKJ-YPMHNXCESA-N 2 0 239.363 0.777 20 0 BCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CC[NH2+]1 ZINC000444265737 193043547 /nfs/dbraw/zinc/04/35/47/193043547.db2.gz RCRWWVRIJJELOD-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH2+]2)[C@H](C)C1 ZINC000444266329 193043645 /nfs/dbraw/zinc/04/36/45/193043645.db2.gz DIBKBRWGGPKJFU-UTUOFQBUSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000575315784 365276637 /nfs/dbraw/zinc/27/66/37/365276637.db2.gz DAFSTYYFCSQHKA-MWLCHTKSSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000575315785 365276201 /nfs/dbraw/zinc/27/62/01/365276201.db2.gz DAFSTYYFCSQHKA-ONGXEEELSA-N 2 0 225.336 0.467 20 0 BCADRP CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000575194471 365236884 /nfs/dbraw/zinc/23/68/84/365236884.db2.gz IRENFVKOLISRQS-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000575194472 365236954 /nfs/dbraw/zinc/23/69/54/365236954.db2.gz IRENFVKOLISRQS-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000575312997 365285106 /nfs/dbraw/zinc/28/51/06/365285106.db2.gz RDIPTFSMVHCITG-ZDUSSCGKSA-N 3 0 225.380 0.917 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC[NH2+]C(C)(C)C ZINC000575398869 365308620 /nfs/dbraw/zinc/30/86/20/365308620.db2.gz BYHYUCYCTXNMLG-UHFFFAOYSA-N 2 0 229.368 0.879 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000575399969 365309037 /nfs/dbraw/zinc/30/90/37/365309037.db2.gz DIZBRSHNRMZICM-GHMZBOCLSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000575745954 365349070 /nfs/dbraw/zinc/34/90/70/365349070.db2.gz OKYOSJFKRGRNIU-NWDGAFQWSA-N 2 0 241.379 0.738 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000575744935 365349754 /nfs/dbraw/zinc/34/97/54/365349754.db2.gz BMUNPNOPGLLOOJ-DTWKUNHWSA-N 2 0 216.329 0.021 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000575867265 365394619 /nfs/dbraw/zinc/39/46/19/365394619.db2.gz HIQBEJRPPFFVMN-GMTAPVOTSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000575816624 365373360 /nfs/dbraw/zinc/37/33/60/365373360.db2.gz URBSQSDAKGYUEH-GXSJLCMTSA-N 2 0 215.341 0.474 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CC[NH2+]C1CC1 ZINC000576052155 365465731 /nfs/dbraw/zinc/46/57/31/365465731.db2.gz CBSIVIPFHYENCC-GXSJLCMTSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000575989075 365437172 /nfs/dbraw/zinc/43/71/72/365437172.db2.gz NOONYBGDYKDEAC-NEPJUHHUSA-N 2 0 211.353 0.527 20 0 BCADRP [NH3+]CCC[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000575994719 365440977 /nfs/dbraw/zinc/44/09/77/365440977.db2.gz UISXFNCLXRUDOG-VHSXEESVSA-N 2 0 216.350 0.542 20 0 BCADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCNC(C)=O)C1 ZINC000173919254 365456562 /nfs/dbraw/zinc/45/65/62/365456562.db2.gz QIXPXSYLVSJGNB-ZDUSSCGKSA-N 2 0 241.379 0.786 20 0 BCADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCNC(C)=O)C1 ZINC000173919267 365456836 /nfs/dbraw/zinc/45/68/36/365456836.db2.gz QIXPXSYLVSJGNB-CYBMUJFWSA-N 2 0 241.379 0.786 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000579590441 366893956 /nfs/dbraw/zinc/89/39/56/366893956.db2.gz ICIKHFPLVJKCDS-RHYQMDGZSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000579590439 366894242 /nfs/dbraw/zinc/89/42/42/366894242.db2.gz ICIKHFPLVJKCDS-BJDJZHNGSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000579590442 366894310 /nfs/dbraw/zinc/89/43/10/366894310.db2.gz ICIKHFPLVJKCDS-YFKTTZPYSA-N 2 0 239.363 0.570 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000579590300 366894311 /nfs/dbraw/zinc/89/43/11/366894311.db2.gz WXKMDPCJNYJNOD-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000579594194 366896990 /nfs/dbraw/zinc/89/69/90/366896990.db2.gz DEUSJEOEXJAAGG-ZNSHCXBVSA-N 2 0 225.336 0.357 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000579596760 366898795 /nfs/dbraw/zinc/89/87/95/366898795.db2.gz LEFSFGWRLSHQHM-PHIMTYICSA-N 2 0 227.352 0.572 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000576106765 365488770 /nfs/dbraw/zinc/48/87/70/365488770.db2.gz LCQIKESMZZJJOL-BBBLOLIVSA-N 2 0 213.325 0.167 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000576134426 365497126 /nfs/dbraw/zinc/49/71/26/365497126.db2.gz CHYROCVPOPYMJS-QJPTWQEYSA-N 2 0 239.363 0.585 20 0 BCADRP CNC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156091663 541484989 /nfs/dbraw/zinc/48/49/89/541484989.db2.gz DNJMYYOWMSOZPY-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP CC[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC000579730033 366996573 /nfs/dbraw/zinc/99/65/73/366996573.db2.gz SOVIEFWGIVSRHM-NSHDSACASA-N 2 0 227.352 0.396 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000579710543 366982809 /nfs/dbraw/zinc/98/28/09/366982809.db2.gz KCWFGPMGKTVYMA-QWRGUYRKSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)N(C)CCC[NH3+] ZINC000579734036 366997924 /nfs/dbraw/zinc/99/79/24/366997924.db2.gz GHSJIAOHQJAXMO-JTQLQIEISA-N 2 0 230.356 0.494 20 0 BCADRP [NH3+]C1(C[NH2+]CC[C@H]2CCC[NH2+]C2)CCC1 ZINC000580834735 367182232 /nfs/dbraw/zinc/18/22/32/367182232.db2.gz VMDUEASOPBZJSO-LLVKDONJSA-N 3 0 211.353 0.847 20 0 BCADRP Cc1nc[nH]c1CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000380216539 367156144 /nfs/dbraw/zinc/15/61/44/367156144.db2.gz KEZFVYMMDFXMIF-WPRPVWTQSA-N 2 0 236.319 0.722 20 0 BCADRP CC[NH2+]CCCNC(=O)NCC([NH3+])(CC)CC ZINC000580942312 367211353 /nfs/dbraw/zinc/21/13/53/367211353.db2.gz IXTHKCUECNWFQI-UHFFFAOYSA-N 2 0 244.383 0.803 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000581120791 367268051 /nfs/dbraw/zinc/26/80/51/367268051.db2.gz BGAXMERDZXSBAH-RYUDHWBXSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000581120789 367268807 /nfs/dbraw/zinc/26/88/07/367268807.db2.gz BGAXMERDZXSBAH-NEPJUHHUSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000581010773 367234328 /nfs/dbraw/zinc/23/43/28/367234328.db2.gz SYPPBDPQHZQDKC-KOLCDFICSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@@H]1[C@H](C)OCC[N@@H+]1CCOCC[NH3+] ZINC000380547776 367238187 /nfs/dbraw/zinc/23/81/87/367238187.db2.gz XTSFRDXPGWYJQW-ZJUUUORDSA-N 2 0 202.298 0.071 20 0 BCADRP C[C@H]1OCC[N@H+](CCOCC[NH3+])[C@H]1C ZINC000380547763 367238248 /nfs/dbraw/zinc/23/82/48/367238248.db2.gz XTSFRDXPGWYJQW-VHSXEESVSA-N 2 0 202.298 0.071 20 0 BCADRP C[C@H]1CN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)C[C@@H]1[NH3+] ZINC000581061469 367247706 /nfs/dbraw/zinc/24/77/06/367247706.db2.gz HGFHLVPTVOHHIT-SRRSOLGSSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC000581070170 367252346 /nfs/dbraw/zinc/25/23/46/367252346.db2.gz PTSHAUJFFUAXCL-AXFHLTTASA-N 2 0 225.336 0.195 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN(CCOC)C1CC1 ZINC000381072050 367346912 /nfs/dbraw/zinc/34/69/12/367346912.db2.gz OQOVVXXIJMWKAB-LBPRGKRZSA-N 2 0 230.352 0.410 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[C@H](O)[C@H](C)C1 ZINC000381084340 367348104 /nfs/dbraw/zinc/34/81/04/367348104.db2.gz SIJGZIDUHOKPNS-WOPDTQHZSA-N 2 0 230.352 0.002 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000581190573 367290018 /nfs/dbraw/zinc/29/00/18/367290018.db2.gz UETIUSOOMOBYNJ-NXEZZACHSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000581251730 367308836 /nfs/dbraw/zinc/30/88/36/367308836.db2.gz JLBOPSVCSDKLBK-MDZLAQPJSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]CCCCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000381317350 367379915 /nfs/dbraw/zinc/37/99/15/367379915.db2.gz UAEFMJGCSHGBOR-WDEREUQCSA-N 2 0 227.352 0.749 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@H](C[NH3+])C1)[C@H](C)[NH3+] ZINC000381344945 367384468 /nfs/dbraw/zinc/38/44/68/367384468.db2.gz YSHSBUHSPAGXMU-KXUCPTDWSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(C)(C)C[NH3+] ZINC000381373312 367390277 /nfs/dbraw/zinc/39/02/77/367390277.db2.gz IEWWCSTTYOFPRV-IUCAKERBSA-N 2 0 213.325 0.167 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000381402223 367395143 /nfs/dbraw/zinc/39/51/43/367395143.db2.gz AQNJOSFHVIKVOM-KXUCPTDWSA-N 2 0 213.325 0.099 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000381417064 367397805 /nfs/dbraw/zinc/39/78/05/367397805.db2.gz VBQALCPADZHATO-QNSHHTMESA-N 2 0 213.325 0.213 20 0 BCADRP CCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195518433 367365722 /nfs/dbraw/zinc/36/57/22/367365722.db2.gz FJPGDICRYDDZAD-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)C[NH3+])C1 ZINC000381285701 367375148 /nfs/dbraw/zinc/37/51/48/367375148.db2.gz ZNUYHOPYESRHIM-VHSXEESVSA-N 2 0 213.325 0.039 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)CCCC[NH3+] ZINC000382179355 367494659 /nfs/dbraw/zinc/49/46/59/367494659.db2.gz ZAHHONDZKFTDTB-UHFFFAOYSA-N 2 0 215.341 0.749 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000381626478 367440575 /nfs/dbraw/zinc/44/05/75/367440575.db2.gz LEWBMYREARDMCS-NXEZZACHSA-N 2 0 213.325 0.100 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000381626481 367440795 /nfs/dbraw/zinc/44/07/95/367440795.db2.gz LEWBMYREARDMCS-ZJUUUORDSA-N 2 0 213.325 0.100 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H](C)CCC[NH3+] ZINC000382560536 367539972 /nfs/dbraw/zinc/53/99/72/367539972.db2.gz LKWYUVNIVSXGJQ-VHSXEESVSA-N 2 0 204.314 0.101 20 0 BCADRP CCC[NH+]1CCC([NH2+]C[C@@](C)(O)COC)CC1 ZINC000382565561 367540903 /nfs/dbraw/zinc/54/09/03/367540903.db2.gz NZNJKQJQKGRASV-CYBMUJFWSA-N 2 0 244.379 0.848 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000382925353 367569264 /nfs/dbraw/zinc/56/92/64/367569264.db2.gz DFWFGVXOGRFYDN-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000382976420 367579117 /nfs/dbraw/zinc/57/91/17/367579117.db2.gz SPOYODNJHOZELX-JBLDHEPKSA-N 2 0 239.363 0.726 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000382979686 367580342 /nfs/dbraw/zinc/58/03/42/367580342.db2.gz UBBALRASEQVEPK-ZJUUUORDSA-N 2 0 227.352 0.583 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(OC(C)C)CC1 ZINC000565603141 325933390 /nfs/dbraw/zinc/93/33/90/325933390.db2.gz GUBAJXHSZPKXDY-CYBMUJFWSA-N 2 0 244.379 0.846 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H](C)[NH2+]C1CC1)C1CC1 ZINC000383329794 367613391 /nfs/dbraw/zinc/61/33/91/367613391.db2.gz KAEHSKZKHJRCNP-JTQLQIEISA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H](C)[NH+](C)C ZINC000383359385 367616963 /nfs/dbraw/zinc/61/69/63/367616963.db2.gz MZMAQVXOTYVYIU-DTWKUNHWSA-N 2 0 213.325 0.193 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000565833965 325962234 /nfs/dbraw/zinc/96/22/34/325962234.db2.gz ONVRWFNVHVXBHM-KOLCDFICSA-N 2 0 225.336 0.467 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN(C)CCOCC1CC1 ZINC000383718301 367650136 /nfs/dbraw/zinc/65/01/36/367650136.db2.gz XXVZAESIDZJOHN-CYBMUJFWSA-N 2 0 244.379 0.657 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000581665748 367665806 /nfs/dbraw/zinc/66/58/06/367665806.db2.gz FEARBOWUHPQWOC-XWLWVQCSSA-N 2 0 242.367 0.504 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH2+]1 ZINC000384790703 367733453 /nfs/dbraw/zinc/73/34/53/367733453.db2.gz PUGDXPWBDHNSBO-VHSXEESVSA-N 2 0 213.325 0.195 20 0 BCADRP O=C([C@H]1CC[NH2+]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000384836011 367739910 /nfs/dbraw/zinc/73/99/10/367739910.db2.gz OVCAVSRZDNSUIF-GHMZBOCLSA-N 2 0 223.320 0.045 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CC[NH2+]1 ZINC000384840650 367741957 /nfs/dbraw/zinc/74/19/57/367741957.db2.gz SZSQZGSEQNWFMN-OUAUKWLOSA-N 2 0 223.320 0.091 20 0 BCADRP [NH3+]CCc1ccccc1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000581733335 367796968 /nfs/dbraw/zinc/79/69/68/367796968.db2.gz CHYQLRJXTFUYSU-ZDUSSCGKSA-N 2 0 247.342 0.655 20 0 BCADRP CC[NH+](CC)CC(=O)NCC1CC[NH2+]CC1 ZINC000566202607 326011642 /nfs/dbraw/zinc/01/16/42/326011642.db2.gz MWWZFSNRIZZGDX-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000581887139 367878439 /nfs/dbraw/zinc/87/84/39/367878439.db2.gz FXNYITFFBMHSPI-GHMZBOCLSA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000581885216 367876391 /nfs/dbraw/zinc/87/63/91/367876391.db2.gz MKGGUHISOZWGTR-GXSJLCMTSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCCC[NH3+] ZINC000566190355 326009251 /nfs/dbraw/zinc/00/92/51/326009251.db2.gz TYRLZXOOZXCAMB-ZYHUDNBSSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H](NCCNC(=O)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000386062272 367907038 /nfs/dbraw/zinc/90/70/38/367907038.db2.gz XONRHFYAZWWBIJ-PWSUYJOCSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]([NH2+]CCCCO)[C@H]1CCCC[NH2+]1 ZINC000386103679 367912487 /nfs/dbraw/zinc/91/24/87/367912487.db2.gz KGRLOYKJEMRAJO-WDEREUQCSA-N 2 0 200.326 0.879 20 0 BCADRP CN1CCN(CCC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000087613480 367917127 /nfs/dbraw/zinc/91/71/27/367917127.db2.gz NTHQSCXXAFDIDB-NSHDSACASA-N 2 0 213.369 0.997 20 0 BCADRP C[C@H](C(=O)NCC[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000087645618 367952223 /nfs/dbraw/zinc/95/22/23/367952223.db2.gz VPYUKDVKTRFKIU-ONGXEEELSA-N 2 0 221.304 0.397 20 0 BCADRP COC[C@H](C)C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000581931433 367956388 /nfs/dbraw/zinc/95/63/88/367956388.db2.gz WMHJZVZGVUGPOA-VWYCJHECSA-N 2 0 200.326 0.986 20 0 BCADRP C[C@@H](NCCOCC[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000386367737 367957109 /nfs/dbraw/zinc/95/71/09/367957109.db2.gz AVNLMSGKPLNJMM-CHWSQXEVSA-N 2 0 243.395 0.685 20 0 BCADRP C[C@@H](NCCOCC[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000386367738 367957271 /nfs/dbraw/zinc/95/72/71/367957271.db2.gz AVNLMSGKPLNJMM-OLZOCXBDSA-N 2 0 243.395 0.685 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000441610300 201560447 /nfs/dbraw/zinc/56/04/47/201560447.db2.gz LWNPPDPXGYPPOP-WOPDTQHZSA-N 2 0 241.379 0.723 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC(C[NH+](C)C)C1 ZINC000615513606 368086258 /nfs/dbraw/zinc/08/62/58/368086258.db2.gz VNQCEBGXWINHCD-UHFFFAOYSA-N 2 0 227.352 0.347 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC[NH2+]1 ZINC000446398311 201683906 /nfs/dbraw/zinc/68/39/06/201683906.db2.gz XNVNXIKOQHVCNL-GVXVVHGQSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000566560206 326064318 /nfs/dbraw/zinc/06/43/18/326064318.db2.gz KXVDBDJPGUPYMG-AAEUAGOBSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CO)[C@H]2CCCOC2)C1 ZINC000566688861 326074713 /nfs/dbraw/zinc/07/47/13/326074713.db2.gz JWMZGKCNGVNTQX-RNJOBUHISA-N 2 0 242.363 0.633 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)COC1CCC([NH3+])CC1 ZINC000566796201 326083724 /nfs/dbraw/zinc/08/37/24/326083724.db2.gz OJCDPYSIFYHBCB-MFQSTILNSA-N 2 0 243.351 0.125 20 0 BCADRP COC[C@]1(CNC[C@]2(C)CC[NH2+]C2)CCC[NH2+]1 ZINC000566973633 326098550 /nfs/dbraw/zinc/09/85/50/326098550.db2.gz NAOBZXGHBIBWGI-CHWSQXEVSA-N 2 0 241.379 0.344 20 0 BCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NC1CC[NH2+]CC1 ZINC000082261717 368661486 /nfs/dbraw/zinc/66/14/86/368661486.db2.gz YQHZNLXTTRHFLD-ZDUSSCGKSA-N 2 0 247.342 0.425 20 0 BCADRP CCC[N@H+](C)CC(=O)NC(C)(C)C[NH+](C)C ZINC000457206764 203019219 /nfs/dbraw/zinc/01/92/19/203019219.db2.gz LYGSSSSVYQYQFJ-UHFFFAOYSA-N 2 0 229.368 0.785 20 0 BCADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)CC[NH3+] ZINC000083914408 368840754 /nfs/dbraw/zinc/84/07/54/368840754.db2.gz OXOWJGGZECEXBL-JTQLQIEISA-N 2 0 213.325 0.278 20 0 BCADRP COCCOCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403782 368880420 /nfs/dbraw/zinc/88/04/20/368880420.db2.gz DDNLZTCYDMPVTG-WDEREUQCSA-N 2 0 216.325 0.509 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)CC[C@H]1[NH3+] ZINC000631822332 368976035 /nfs/dbraw/zinc/97/60/35/368976035.db2.gz ZNWDNMJVARYKHA-GMTAPVOTSA-N 2 0 235.335 0.435 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000567336560 326165510 /nfs/dbraw/zinc/16/55/10/326165510.db2.gz IYBQYBWVCCCBCL-BJDJZHNGSA-N 2 0 241.379 0.851 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)CN1C1CC1 ZINC000623663147 369081689 /nfs/dbraw/zinc/08/16/89/369081689.db2.gz ZKZTXFYIMIXBMM-GWOFURMSSA-N 2 0 237.347 0.465 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000333537543 181447756 /nfs/dbraw/zinc/44/77/56/181447756.db2.gz IUKDAIHFGIOBRK-NEPJUHHUSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1C[NH3+] ZINC000631841758 369358205 /nfs/dbraw/zinc/35/82/05/369358205.db2.gz PHODGROSMMTJIE-GXFFZTMASA-N 2 0 247.342 0.812 20 0 BCADRP C[C@@H](C(=O)N1CCCC[C@H]1C[NH+](C)C)[C@H](C)[NH3+] ZINC000404906489 369438310 /nfs/dbraw/zinc/43/83/10/369438310.db2.gz YWVTWGVTKLUCJW-WOPDTQHZSA-N 2 0 241.379 0.912 20 0 BCADRP CO[C@H](C[NH3+])Cc1nc([C@H]([NH3+])CC(C)C)no1 ZINC000567852610 326271242 /nfs/dbraw/zinc/27/12/42/326271242.db2.gz YAXYTYNFVOHQCQ-DTWKUNHWSA-N 2 0 242.323 0.632 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000165319772 203382907 /nfs/dbraw/zinc/38/29/07/203382907.db2.gz GIGLMGBJAUIDLG-NWDGAFQWSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@H](C[C@H]1COCCN1)[NH2+][C@@H](C)CN(C)C ZINC000166146013 203388207 /nfs/dbraw/zinc/38/82/07/203388207.db2.gz YKQNCPOUCVIHFJ-WOPDTQHZSA-N 2 0 229.368 0.293 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)C1 ZINC000619895610 369628423 /nfs/dbraw/zinc/62/84/23/369628423.db2.gz VSPGOVPGGANZON-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000619898155 369630233 /nfs/dbraw/zinc/63/02/33/369630233.db2.gz FBSTYSGTGDGQNZ-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(CCO)CC1 ZINC000568057037 326300007 /nfs/dbraw/zinc/30/00/07/326300007.db2.gz MHBGTABKZNFNFO-LBPRGKRZSA-N 2 0 230.352 0.051 20 0 BCADRP C[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000620321928 369833783 /nfs/dbraw/zinc/83/37/83/369833783.db2.gz ZLGVMLJDINYZTB-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP CC[C@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](CC)C1)[NH+](C)C ZINC000620902287 370049755 /nfs/dbraw/zinc/04/97/55/370049755.db2.gz RBULISQYHKFJDW-GRYCIOLGSA-N 2 0 241.379 0.926 20 0 BCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252838972 370135230 /nfs/dbraw/zinc/13/52/30/370135230.db2.gz AQOYOJAOCNYVEN-SRVKXCTJSA-N 2 0 239.363 0.570 20 0 BCADRP CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252870828 370137918 /nfs/dbraw/zinc/13/79/18/370137918.db2.gz SOHSSUSWUBRXNG-SDDRHHMPSA-N 2 0 239.363 0.572 20 0 BCADRP C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000631867326 370222346 /nfs/dbraw/zinc/22/23/46/370222346.db2.gz PZMUZRROSMLTBA-UPJWGTAASA-N 2 0 223.364 0.718 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000309738661 370252261 /nfs/dbraw/zinc/25/22/61/370252261.db2.gz CWVQCWDTVAHSJD-RKDXNWHRSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1CCC[NH2+]1 ZINC000309798288 370258332 /nfs/dbraw/zinc/25/83/32/370258332.db2.gz QSCJKAGSYIFVQS-VHSXEESVSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)C(C)(C)C[NH3+] ZINC000309826082 370264913 /nfs/dbraw/zinc/26/49/13/370264913.db2.gz XKAMZNTYOQRVMW-VIFPVBQESA-N 2 0 215.341 0.605 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621670465 370420609 /nfs/dbraw/zinc/42/06/09/370420609.db2.gz ODXOZLFKHLAYDN-WDEREUQCSA-N 2 0 227.352 0.490 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[NH2+]C1)C2 ZINC000621679724 370429219 /nfs/dbraw/zinc/42/92/19/370429219.db2.gz SSXKAHZAPFIOHR-MDZLAQPJSA-N 2 0 237.347 0.326 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621682720 370431229 /nfs/dbraw/zinc/43/12/29/370431229.db2.gz JZNPBRUNUKKDQN-BREBYQMCSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+]CC1(CC(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621682248 370431420 /nfs/dbraw/zinc/43/14/20/370431420.db2.gz CCKLMQCKNRVAOE-MFKMUULPSA-N 2 0 237.347 0.455 20 0 BCADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@H]1CCCC[NH2+]1)C2 ZINC000621683866 370432546 /nfs/dbraw/zinc/43/25/46/370432546.db2.gz CUGGFKHRARXNLR-WZRBSPASSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+]Cc1cc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)co1 ZINC000621683585 370432669 /nfs/dbraw/zinc/43/26/69/370432669.db2.gz YDGXVJVJLMFIPE-ZWNOBZJWSA-N 2 0 249.314 0.692 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621683599 370432851 /nfs/dbraw/zinc/43/28/51/370432851.db2.gz YLZDCQZWUDYRDI-MRBYEJRBSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+]CCCC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684159 370433477 /nfs/dbraw/zinc/43/34/77/370433477.db2.gz IIOHPCRTMBFFKK-MWLCHTKSSA-N 2 0 211.309 0.065 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684199 370433530 /nfs/dbraw/zinc/43/35/30/370433530.db2.gz IVFNQPXAUULCSQ-BXKDBHETSA-N 2 0 225.336 0.311 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCC[NH2+]1)C2 ZINC000621684245 370433683 /nfs/dbraw/zinc/43/36/83/370433683.db2.gz JREIPFHPZMYBJV-GVXVVHGQSA-N 2 0 237.347 0.468 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684202 370433929 /nfs/dbraw/zinc/43/39/29/370433929.db2.gz IVFNQPXAUULCSQ-SKDRFNHKSA-N 2 0 225.336 0.311 20 0 BCADRP C[NH2+]CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621622199 370403173 /nfs/dbraw/zinc/40/31/73/370403173.db2.gz YGPNQLTYVMHKGY-JTQLQIEISA-N 2 0 213.325 0.102 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621621527 370403562 /nfs/dbraw/zinc/40/35/62/370403562.db2.gz AWDYWQRQOINPBP-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684790 370434561 /nfs/dbraw/zinc/43/45/61/370434561.db2.gz SMLVEPWUAQUNRP-UMNHJUIQSA-N 2 0 225.336 0.182 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]C1)N[C@@H]1CC[NH2+]C1 ZINC000621621122 370405680 /nfs/dbraw/zinc/40/56/80/370405680.db2.gz SAUHQZJAPZGYND-WDEREUQCSA-N 2 0 225.336 0.244 20 0 BCADRP CC(C)([NH3+])CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621624049 370407793 /nfs/dbraw/zinc/40/77/93/370407793.db2.gz TWNXYBGMHAPYDY-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621622730 370407946 /nfs/dbraw/zinc/40/79/46/370407946.db2.gz LINHPCOILPUINH-VXGBXAGGSA-N 2 0 241.379 0.866 20 0 BCADRP [NH3+]C1(CC(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000621684911 370434821 /nfs/dbraw/zinc/43/48/21/370434821.db2.gz VLDMQEXITMBGEZ-ZWNOBZJWSA-N 2 0 237.347 0.598 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684432 370434829 /nfs/dbraw/zinc/43/48/29/370434829.db2.gz MISBGPLCMRCVEX-GMXVVIOVSA-N 2 0 239.363 0.700 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684389 370434897 /nfs/dbraw/zinc/43/48/97/370434897.db2.gz LSQZKWTTYFNFBS-JBLDHEPKSA-N 2 0 225.336 0.310 20 0 BCADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C1CC[NH2+]CC1)C2 ZINC000621684466 370434952 /nfs/dbraw/zinc/43/49/52/370434952.db2.gz MVJZYZUEMJLVAW-DGCLKSJQSA-N 2 0 237.347 0.326 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621658434 370415596 /nfs/dbraw/zinc/41/55/96/370415596.db2.gz IKGBUFPGENBVCN-GHMZBOCLSA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H](C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)[NH+](C)C ZINC000621698983 370446087 /nfs/dbraw/zinc/44/60/87/370446087.db2.gz JVDJFBZZTXYUMR-HOSYDEDBSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@]1(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CCC[NH2+]1 ZINC000621699130 370446346 /nfs/dbraw/zinc/44/63/46/370446346.db2.gz MXQZNMZCSPIRMW-UHTWSYAYSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+][C@]12CCC[C@H]1CN(C[C@@H]1CC[NH2+]C1)C2 ZINC000621778698 370527516 /nfs/dbraw/zinc/52/75/16/370527516.db2.gz UECBRQRDBPBDOR-WOPDTQHZSA-N 2 0 209.337 0.409 20 0 BCADRP [NH3+][C@@]12CCC[C@@H]1CN(CCn1cncn1)C2 ZINC000621781950 370529699 /nfs/dbraw/zinc/52/96/99/370529699.db2.gz KJTKJQYDZPNEGO-GHMZBOCLSA-N 2 0 221.308 0.091 20 0 BCADRP [NH3+][C@]12CCC[C@H]1C[N@H+](C[C@H]1CCOC1)C2 ZINC000621782507 370532684 /nfs/dbraw/zinc/53/26/84/370532684.db2.gz PVTNDFCIIWNMTK-WOPDTQHZSA-N 2 0 210.321 0.836 20 0 BCADRP O[C@H]1CCN(CC[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000623835962 371119904 /nfs/dbraw/zinc/11/99/04/371119904.db2.gz FGIZNMKRZSEQHK-OLZOCXBDSA-N 2 0 224.348 0.999 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000569215332 326395471 /nfs/dbraw/zinc/39/54/71/326395471.db2.gz YNBWVSPRYXBFAZ-AXFHLTTASA-N 2 0 225.336 0.243 20 0 BCADRP C[C@](C[NH3+])(NC(=O)CCCC[NH3+])C1CC1 ZINC000390463395 371204709 /nfs/dbraw/zinc/20/47/09/371204709.db2.gz GUGROCLAZOXHSF-LLVKDONJSA-N 2 0 213.325 0.359 20 0 BCADRP [NH3+][C@@H]1CCC[C@]12CCN(C(=O)[C@H]1CCC[NH2+]1)C2 ZINC000373615104 181585696 /nfs/dbraw/zinc/58/56/96/181585696.db2.gz GZAVJNNEBSIIRW-NQBHXWOUSA-N 2 0 237.347 0.468 20 0 BCADRP CC1CC([NH2+]CCCN2CCC[C@H]2C(N)=O)C1 ZINC000624085879 371297662 /nfs/dbraw/zinc/29/76/62/371297662.db2.gz HCZPUZHFLOOFRK-MCIGGMRASA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000364475676 181651020 /nfs/dbraw/zinc/65/10/20/181651020.db2.gz BWDMJSWQSZNVGQ-UWVGGRQHSA-N 2 0 211.309 0.078 20 0 BCADRP C[C@H]1C[C@H](NCC[NH+]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000624228538 371417697 /nfs/dbraw/zinc/41/76/97/371417697.db2.gz VDJHLJIOBJBOQB-YNEHKIRRSA-N 2 0 241.379 0.125 20 0 BCADRP C[C@H](Cc1ccoc1)[NH2+]CCN1CC[C@@H](O)C1 ZINC000624231043 371418712 /nfs/dbraw/zinc/41/87/12/371418712.db2.gz OBVHOEFKVAMYFW-DGCLKSJQSA-N 2 0 238.331 0.867 20 0 BCADRP CC[C@@H]1CC[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000624230744 371418743 /nfs/dbraw/zinc/41/87/43/371418743.db2.gz FTANRMSSLHKKLF-UTUOFQBUSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@@H]([NH2+]CCN1CC[C@H](O)C1)C1CCOCC1 ZINC000624334593 371485546 /nfs/dbraw/zinc/48/55/46/371485546.db2.gz CTMNZNIBJLVETK-YPMHNXCESA-N 2 0 242.363 0.458 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000165405256 326421923 /nfs/dbraw/zinc/42/19/23/326421923.db2.gz HEXDRZPWCXIIDA-WDEREUQCSA-N 2 0 229.368 0.770 20 0 BCADRP CC(C)(C)OCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000162362113 371665722 /nfs/dbraw/zinc/66/57/22/371665722.db2.gz XGYWXDLMJGVXAN-PHIMTYICSA-N 2 0 212.337 0.953 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627648957 371807830 /nfs/dbraw/zinc/80/78/30/371807830.db2.gz CKMKVBUBMITHJN-PJXYFTJBSA-N 2 0 239.363 0.347 20 0 BCADRP CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)[NH+](C)C ZINC000627652769 371811869 /nfs/dbraw/zinc/81/18/69/371811869.db2.gz SBLNQJVZHLWDEN-WHOHXGKFSA-N 2 0 239.363 0.345 20 0 BCADRP C[NH+](C)CC(=O)NCCC[NH+]1CCCCC1 ZINC000171353950 372543699 /nfs/dbraw/zinc/54/36/99/372543699.db2.gz ZDZTVWMCDBCESX-UHFFFAOYSA-N 2 0 227.352 0.540 20 0 BCADRP C[N@H+](C[C@@H]1CCc2ncnn21)[C@@H]1CCC[NH2+]CC1 ZINC000631823453 372600248 /nfs/dbraw/zinc/60/02/48/372600248.db2.gz FDFOJRNHSOAOMH-NEPJUHHUSA-N 2 0 249.362 0.839 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000631822451 372599211 /nfs/dbraw/zinc/59/92/11/372599211.db2.gz DJRLOQLKAGJWHT-OUAUKWLOSA-N 2 0 235.335 0.435 20 0 BCADRP C[C@H]1C[C@H](N)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000631859525 372657842 /nfs/dbraw/zinc/65/78/42/372657842.db2.gz BMTVRKKUNFICRQ-JQWIXIFHSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@H]1OCC[C@H]1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000631828151 372609589 /nfs/dbraw/zinc/60/95/89/372609589.db2.gz GUKPPTVGWYXOFW-MNOVXSKESA-N 2 0 228.336 0.197 20 0 BCADRP OCC1([NH2+]C[C@H]2CCCCO2)CC[NH2+]CC1 ZINC000631829488 372610199 /nfs/dbraw/zinc/61/01/99/372610199.db2.gz RIQHJAXNTVEXII-LLVKDONJSA-N 2 0 228.336 0.260 20 0 BCADRP C[C@H]1OCC[C@@H]1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000631829484 372611746 /nfs/dbraw/zinc/61/17/46/372611746.db2.gz RIMYQELMCDSSKB-GHMZBOCLSA-N 2 0 228.336 0.116 20 0 BCADRP C[C@@H]1OCC[C@@H]1C[N@H+](C)CCOCC[NH3+] ZINC000631830041 372612815 /nfs/dbraw/zinc/61/28/15/372612815.db2.gz HWNIDJOIWQNUKJ-WDEREUQCSA-N 2 0 216.325 0.319 20 0 BCADRP [NH3+]CCN1CCOc2ccc(C[NH3+])cc21 ZINC000631830986 372614555 /nfs/dbraw/zinc/61/45/55/372614555.db2.gz LWMILQDSGDDEBC-UHFFFAOYSA-N 2 0 207.277 0.303 20 0 BCADRP [NH3+][C@H]1CCCCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000631831529 372616964 /nfs/dbraw/zinc/61/69/64/372616964.db2.gz HUPNAPFWEHFLDJ-NEPJUHHUSA-N 2 0 211.353 0.799 20 0 BCADRP CC(C)(O)C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631833791 372619055 /nfs/dbraw/zinc/61/90/55/372619055.db2.gz IXQQNHSFMVFZAR-JTQLQIEISA-N 2 0 200.326 0.961 20 0 BCADRP [NH3+][C@H]1CCCCCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000631835064 372620985 /nfs/dbraw/zinc/62/09/85/372620985.db2.gz LMJRZIRLLKXXDU-RYUDHWBXSA-N 2 0 227.352 0.178 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000631836948 372625881 /nfs/dbraw/zinc/62/58/81/372625881.db2.gz KCDNXTGIEVPUGD-GRYCIOLGSA-N 3 0 211.353 0.513 20 0 BCADRP CC1(F)CC[NH+](CCOCC[NH3+])CC1 ZINC000631867014 372668038 /nfs/dbraw/zinc/66/80/38/372668038.db2.gz GNFKUHQUEZPNGM-UHFFFAOYSA-N 2 0 204.289 0.786 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889124 372684782 /nfs/dbraw/zinc/68/47/82/372684782.db2.gz GCAHCJQGOILUMJ-NWDGAFQWSA-N 3 0 227.352 0.036 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000376453205 181976009 /nfs/dbraw/zinc/97/60/09/181976009.db2.gz CRTLYAPZUZRUNX-NWDGAFQWSA-N 2 0 237.347 0.196 20 0 BCADRP O=C(C[NH2+]CC1CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368646650 181978052 /nfs/dbraw/zinc/97/80/52/181978052.db2.gz JUDPIWOHIMJOES-LLVKDONJSA-N 2 0 237.347 0.244 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368370666 182018208 /nfs/dbraw/zinc/01/82/08/182018208.db2.gz QTIPFCWVUWHSJM-SRVKXCTJSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372887900 182018296 /nfs/dbraw/zinc/01/82/96/182018296.db2.gz AVWDNGLJVNRUCW-GRYCIOLGSA-N 2 0 237.347 0.339 20 0 BCADRP O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368379792 182028391 /nfs/dbraw/zinc/02/83/91/182028391.db2.gz VIUAXJUIPVQYJU-GHMZBOCLSA-N 2 0 237.347 0.387 20 0 BCADRP O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1CC[NH2+]C1 ZINC000062114024 182115592 /nfs/dbraw/zinc/11/55/92/182115592.db2.gz MSYHTPLWJLTIIJ-JTQLQIEISA-N 2 0 237.347 0.339 20 0 BCADRP O=C(NCCC[NH+]1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000062112686 182167388 /nfs/dbraw/zinc/16/73/88/182167388.db2.gz DXZGROIJMLMHLL-LBPRGKRZSA-N 2 0 239.363 0.588 20 0 BCADRP O=C(NCC[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000021952587 182184370 /nfs/dbraw/zinc/18/43/70/182184370.db2.gz MVZBWFIEACDRGS-UHFFFAOYSA-N 2 0 225.336 0.198 20 0 BCADRP O=C(NCC[NH+]1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000035663385 182185788 /nfs/dbraw/zinc/18/57/88/182185788.db2.gz SDOCJSDFYWWYDL-NSHDSACASA-N 2 0 225.336 0.341 20 0 BCADRP CC[NH2+]CCCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634086252 373953614 /nfs/dbraw/zinc/95/36/14/373953614.db2.gz CWWVWVOMQPGPMY-NSHDSACASA-N 2 0 242.367 0.427 20 0 BCADRP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@]1(F)CC[NH2+]C1 ZINC000376694168 182199713 /nfs/dbraw/zinc/19/97/13/182199713.db2.gz FGYUIADVUDOUEK-JQWIXIFHSA-N 2 0 243.326 0.194 20 0 BCADRP O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1CC(F)(F)CN1 ZINC000368488088 182201636 /nfs/dbraw/zinc/20/16/36/182201636.db2.gz YGZUZKMDXFPTCC-RKDXNWHRSA-N 2 0 247.289 0.099 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000634047429 373930160 /nfs/dbraw/zinc/93/01/60/373930160.db2.gz BQVMAKVLCIDHQN-SNVBAGLBSA-N 2 0 242.367 0.685 20 0 BCADRP CC[NH2+]CCCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000634076418 373941332 /nfs/dbraw/zinc/94/13/32/373941332.db2.gz VXVZVHKYYLNAHR-WDEREUQCSA-N 2 0 242.367 0.555 20 0 BCADRP CCC1([NH+](C)C)CCN(C(=O)C[NH+](C)C)CC1 ZINC000634120869 373970744 /nfs/dbraw/zinc/97/07/44/373970744.db2.gz POLRRQJYFKGSBN-UHFFFAOYSA-N 2 0 241.379 0.881 20 0 BCADRP CC(C)([NH3+])CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634269135 374083606 /nfs/dbraw/zinc/08/36/06/374083606.db2.gz FJZZZBQUOQYVPR-VIFPVBQESA-N 2 0 228.340 0.165 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C2(C)C[NH2+]C2)CC[N@@H+]1C ZINC000634300790 374129322 /nfs/dbraw/zinc/12/93/22/374129322.db2.gz LVBZAGQTGILHBB-LLVKDONJSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634271014 374084585 /nfs/dbraw/zinc/08/45/85/374084585.db2.gz QBGGQJQRTDFMTH-ZJUUUORDSA-N 2 0 228.340 0.023 20 0 BCADRP CO[C@@H](C)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000381628176 374136167 /nfs/dbraw/zinc/13/61/67/374136167.db2.gz NETWEFVFNDJIBQ-NWDGAFQWSA-N 2 0 230.352 0.458 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000418389581 206017632 /nfs/dbraw/zinc/01/76/32/206017632.db2.gz UBDTZVWGLRXCGA-GARJFASQSA-N 2 0 240.351 0.165 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCCC[NH+]1CCCCCC1 ZINC000424131382 206031299 /nfs/dbraw/zinc/03/12/99/206031299.db2.gz GLSKDUPLXRYYMP-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000131672114 182303730 /nfs/dbraw/zinc/30/37/30/182303730.db2.gz WNPYPXDTXSRIPU-OLZOCXBDSA-N 2 0 245.326 0.179 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449599825 206099581 /nfs/dbraw/zinc/09/95/81/206099581.db2.gz HRVNKSKRYZKYNB-OUAUKWLOSA-N 2 0 227.352 0.713 20 0 BCADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C1CC[NH2+]CC1 ZINC000044726731 182333889 /nfs/dbraw/zinc/33/38/89/182333889.db2.gz XXDVKJTUFHWOOT-NSHDSACASA-N 2 0 237.347 0.339 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000166638202 206142330 /nfs/dbraw/zinc/14/23/30/206142330.db2.gz LQAZFINVPYUEBN-CYBMUJFWSA-N 2 0 241.379 0.834 20 0 BCADRP CC[N@H+](CCNC(=O)C[C@H]1CCC[NH2+]1)C(C)C ZINC000167203368 206143804 /nfs/dbraw/zinc/14/38/04/206143804.db2.gz LOYCXKUTAMPEHW-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)[C@@H]1CC[NH2+]C1 ZINC000371443833 182392686 /nfs/dbraw/zinc/39/26/86/182392686.db2.gz UECFZZROSDMKJY-SECBINFHSA-N 2 0 246.314 0.275 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365332483 182617266 /nfs/dbraw/zinc/61/72/66/182617266.db2.gz HWCDSKVILZJWOD-IJLUTSLNSA-N 2 0 237.347 0.196 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000377756105 182617325 /nfs/dbraw/zinc/61/73/25/182617325.db2.gz OODUDYNOBKRNAZ-TUAOUCFPSA-N 2 0 237.347 0.054 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000178407042 134310230 /nfs/dbraw/zinc/31/02/30/134310230.db2.gz ZLWKPHYMMPWRAF-ONGXEEELSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]CCCC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000178708284 134313426 /nfs/dbraw/zinc/31/34/26/134313426.db2.gz OJXWRYXXAZFDNG-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C[C@H](C)[NH3+] ZINC000309127453 168961385 /nfs/dbraw/zinc/96/13/85/168961385.db2.gz QHTWBFPKTCECTO-IUCAKERBSA-N 2 0 201.314 0.357 20 0 BCADRP OCC[N@H+](CCn1ccnc1)Cc1cccnc1 ZINC000270904480 183067877 /nfs/dbraw/zinc/06/78/77/183067877.db2.gz RQVIMWHNNLAOTN-UHFFFAOYSA-N 2 0 246.314 0.773 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC000041679624 169005655 /nfs/dbraw/zinc/00/56/55/169005655.db2.gz WQVQBBYOPZFZRK-NSHDSACASA-N 2 0 229.368 0.962 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000040807272 169006135 /nfs/dbraw/zinc/00/61/35/169006135.db2.gz TWXDTAWDZDJHGS-JTQLQIEISA-N 2 0 229.368 0.960 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000353380741 169006146 /nfs/dbraw/zinc/00/61/46/169006146.db2.gz DCNGXJPKFFOFRZ-TUAOUCFPSA-N 2 0 239.363 0.572 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000037480657 169006258 /nfs/dbraw/zinc/00/62/58/169006258.db2.gz ZOEWDILUFVTKGX-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089356 169007581 /nfs/dbraw/zinc/00/75/81/169007581.db2.gz JMVMNPFQGAIKFE-ZJUUUORDSA-N 2 0 215.341 0.570 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000309406670 169007596 /nfs/dbraw/zinc/00/75/96/169007596.db2.gz IAPDXXASQYLHBW-VHSXEESVSA-N 2 0 215.341 0.603 20 0 BCADRP O[C@@H](C[NH2+]C[C@@H]1CCCOC1)C[NH+]1CCCC1 ZINC000038045487 183178749 /nfs/dbraw/zinc/17/87/49/183178749.db2.gz OOSJQZDRYSLQPW-STQMWFEESA-N 2 0 242.363 0.459 20 0 BCADRP O[C@@H](C[NH2+]C[C@H]1CCCOC1)C[NH+]1CCCC1 ZINC000038045489 183178873 /nfs/dbraw/zinc/17/88/73/183178873.db2.gz OOSJQZDRYSLQPW-OLZOCXBDSA-N 2 0 242.363 0.459 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000358534922 169069308 /nfs/dbraw/zinc/06/93/08/169069308.db2.gz MLNXESGXJVGNGX-LBPRGKRZSA-N 2 0 241.379 0.738 20 0 BCADRP CCC[N@H+](C)CC(=O)NCC[NH+]1CC=CCC1 ZINC000357628013 169071763 /nfs/dbraw/zinc/07/17/63/169071763.db2.gz BSWQCHLLMNEQTB-UHFFFAOYSA-N 2 0 239.363 0.706 20 0 BCADRP CCC[N@H+](C)CC(=O)NCc1[nH]cnc1C ZINC000331104713 169072495 /nfs/dbraw/zinc/07/24/95/169072495.db2.gz QGMBBXVKCHPYGB-UHFFFAOYSA-N 2 0 224.308 0.676 20 0 BCADRP CCC[N@H+](C)CC(=O)NCc1ncc[nH]1 ZINC000330916916 169074424 /nfs/dbraw/zinc/07/44/24/169074424.db2.gz VQERSVDXCLSTFV-UHFFFAOYSA-N 2 0 210.281 0.368 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)C ZINC000359596432 169064059 /nfs/dbraw/zinc/06/40/59/169064059.db2.gz XSBYWTXMXRKRFP-UHFFFAOYSA-N 2 0 215.341 0.348 20 0 BCADRP CCC[N@H+](C)CC(=O)N(C)[C@H]1CCC[NH+](C)C1 ZINC000357397422 169064339 /nfs/dbraw/zinc/06/43/39/169064339.db2.gz DVKIRTLVOHJFML-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[NH+](CC)CC1 ZINC000355635600 169066724 /nfs/dbraw/zinc/06/67/24/169066724.db2.gz JJPLEXCMWLRYJM-UHFFFAOYSA-N 2 0 241.379 0.882 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000359258241 169067332 /nfs/dbraw/zinc/06/73/32/169067332.db2.gz DDNCIPAIZTUOKN-LBPRGKRZSA-N 2 0 241.379 0.881 20 0 BCADRP CCC[N@@H+](CC(=O)NC)CC1CC[NH2+]CC1 ZINC000043497669 169095442 /nfs/dbraw/zinc/09/54/42/169095442.db2.gz ORTSPYHTEACBIL-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP CCC[N@H+](CC)CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000226407776 169121385 /nfs/dbraw/zinc/12/13/85/169121385.db2.gz LWIKEFIPODYIHY-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)CC(N)=O)CC1 ZINC000341897905 169186444 /nfs/dbraw/zinc/18/64/44/169186444.db2.gz MEMZYEHKUZKXKO-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP CCC[NH+]1CCC([NH2+]C[C@H](C)O)CC1 ZINC000035112511 169188502 /nfs/dbraw/zinc/18/85/02/169188502.db2.gz UOZZIJIBCDDANE-JTQLQIEISA-N 2 0 200.326 0.831 20 0 BCADRP CCC[NH+]1CCC([NH2+]CC(C)(C)C(N)=O)CC1 ZINC000121882846 169188745 /nfs/dbraw/zinc/18/87/45/169188745.db2.gz VQRAMGRXWRJOLY-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP CCC[N@@H+]1CCCN(C(=O)CCC[NH2+]C)CC1 ZINC000370783389 169193250 /nfs/dbraw/zinc/19/32/50/169193250.db2.gz XVJNHZIDNLMWEG-UHFFFAOYSA-N 2 0 241.379 0.930 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)C ZINC000346134897 169200706 /nfs/dbraw/zinc/20/07/06/169200706.db2.gz KKPAKTYDPUGOCM-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000236766406 169200745 /nfs/dbraw/zinc/20/07/45/169200745.db2.gz YSRAZLGDMHHHJJ-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP CCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000022210972 169201284 /nfs/dbraw/zinc/20/12/84/169201284.db2.gz DZFXWPRBCVYVCS-UHFFFAOYSA-N 2 0 240.351 0.039 20 0 BCADRP CCCNC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000082474944 169220462 /nfs/dbraw/zinc/22/04/62/169220462.db2.gz NTLCUWWSYRYGRB-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP CCCNC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069626482 169221036 /nfs/dbraw/zinc/22/10/36/169221036.db2.gz WGGDVFWYOHILFK-NSHDSACASA-N 2 0 227.352 0.573 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000236785923 169258534 /nfs/dbraw/zinc/25/85/34/169258534.db2.gz DDAWDSZDMWQNMY-JTQLQIEISA-N 2 0 213.325 0.244 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000236799750 169259270 /nfs/dbraw/zinc/25/92/70/169259270.db2.gz IMAISDCPMRTMSJ-CYBMUJFWSA-N 2 0 249.358 0.845 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000376971498 169259359 /nfs/dbraw/zinc/25/93/59/169259359.db2.gz KIZOYYPHZFTQBU-ZYHUDNBSSA-N 2 0 225.336 0.102 20 0 BCADRP CCCNC(=O)[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000111612163 169246517 /nfs/dbraw/zinc/24/65/17/169246517.db2.gz MVHHJZGASYNTQI-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000357354515 169388620 /nfs/dbraw/zinc/38/86/20/169388620.db2.gz OCAYILQQKWKLAS-WDEREUQCSA-N 2 0 227.352 0.844 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)CCC[NH2+]C ZINC000359215795 169422774 /nfs/dbraw/zinc/42/27/74/169422774.db2.gz NJZRHOCGFRZEKL-LLVKDONJSA-N 2 0 227.352 0.587 20 0 BCADRP C[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000226338308 134360834 /nfs/dbraw/zinc/36/08/34/134360834.db2.gz BQUURSZIJJYVRS-NNYUYHANSA-N 2 0 214.353 0.933 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185204837 134375203 /nfs/dbraw/zinc/37/52/03/134375203.db2.gz DDVJVYFATFBBIH-MMWGEVLESA-N 2 0 225.336 0.038 20 0 BCADRP C[N@@H+]1CCC[C@H]2CN(C(=O)CCC[NH3+])CC[C@H]21 ZINC000227332818 134377818 /nfs/dbraw/zinc/37/78/18/134377818.db2.gz WZHVFZNZYJITFH-NWDGAFQWSA-N 2 0 239.363 0.668 20 0 BCADRP [NH3+][C@H]1CCCC[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000185412847 134380273 /nfs/dbraw/zinc/38/02/73/134380273.db2.gz NFMUIYOAQWYHPD-RYUDHWBXSA-N 2 0 239.363 0.762 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368100419 383842780 /nfs/dbraw/zinc/84/27/80/383842780.db2.gz QCPYEPYYOKJHGC-GVXVVHGQSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1CC[C@H](C[N@H+](C)CCOCC[NH3+])O1 ZINC000301051482 383881330 /nfs/dbraw/zinc/88/13/30/383881330.db2.gz UPCPDLTXURQSEE-GHMZBOCLSA-N 2 0 216.325 0.461 20 0 BCADRP C[C@H]1CC[C@@H](C[N@H+](C)CCOCC[NH3+])O1 ZINC000301051484 383881615 /nfs/dbraw/zinc/88/16/15/383881615.db2.gz UPCPDLTXURQSEE-QWRGUYRKSA-N 2 0 216.325 0.461 20 0 BCADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000262658164 383882057 /nfs/dbraw/zinc/88/20/57/383882057.db2.gz DTVKHXLHZDETBL-NEPJUHHUSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH+]1CCC(C(=O)N[C@@](C)(C[NH3+])C2CC2)CC1 ZINC000237105534 383889635 /nfs/dbraw/zinc/88/96/35/383889635.db2.gz OFZQCWHHCNJDOU-ZDUSSCGKSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647148209 383892669 /nfs/dbraw/zinc/89/26/69/383892669.db2.gz JDHGYFLBRZGPBJ-YIZRAAEISA-N 2 0 222.292 0.960 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC000646876264 383894616 /nfs/dbraw/zinc/89/46/16/383894616.db2.gz WOWZXNVODQWFOR-IJLUTSLNSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000518531894 383984345 /nfs/dbraw/zinc/98/43/45/383984345.db2.gz HCSMMFAVVZFPCE-NAKRPEOUSA-N 2 0 227.352 0.413 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000518531881 383984627 /nfs/dbraw/zinc/98/46/27/383984627.db2.gz GIQZRNMZRPGPHM-CKYFFXLPSA-N 2 0 227.352 0.285 20 0 BCADRP CC1(NC(=O)CC2([NH3+])CCC2)CC[NH2+]CC1 ZINC000648126482 383993188 /nfs/dbraw/zinc/99/31/88/383993188.db2.gz KQBWZPUQFMUSGN-UHFFFAOYSA-N 2 0 225.336 0.516 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000648127734 384053839 /nfs/dbraw/zinc/05/38/39/384053839.db2.gz UQGFMBNISOGHFZ-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)OCC1CCC1 ZINC000642680544 384042700 /nfs/dbraw/zinc/04/27/00/384042700.db2.gz WUXVNEPWJTWPHB-CHWSQXEVSA-N 2 0 224.348 0.954 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000648130150 384085378 /nfs/dbraw/zinc/08/53/78/384085378.db2.gz LDGDGYSQUDMCMQ-LOWVWBTDSA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000648130268 384088351 /nfs/dbraw/zinc/08/83/51/384088351.db2.gz VZGBZOHBFQGNHY-NNYUYHANSA-N 2 0 237.347 0.039 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)CC[N@@H+]1C ZINC000648127920 384056868 /nfs/dbraw/zinc/05/68/68/384056868.db2.gz OORPBVFTKBLXBW-NNYUYHANSA-N 2 0 239.363 0.535 20 0 BCADRP C[NH+](C)CC(=O)N1CCN[C@H](c2cccnc2)C1 ZINC000374336276 384058388 /nfs/dbraw/zinc/05/83/88/384058388.db2.gz DIOUTLCLOBOOJQ-LBPRGKRZSA-N 2 0 248.330 0.116 20 0 BCADRP CC(C)([NH3+])CCC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000648130949 384091191 /nfs/dbraw/zinc/09/11/91/384091191.db2.gz NJIIBXGDUXNEED-GFCCVEGCSA-N 2 0 227.352 0.701 20 0 BCADRP [NH3+][C@H](CNC(=O)C1([NH3+])CCC1)c1ccccc1 ZINC000566199499 384076593 /nfs/dbraw/zinc/07/65/93/384076593.db2.gz ADDXFCPAEZGEDA-LLVKDONJSA-N 2 0 233.315 0.684 20 0 BCADRP COC(=O)CN(C)CCCn1ccnc1 ZINC000050047772 384102852 /nfs/dbraw/zinc/10/28/52/384102852.db2.gz LLZPXHHNUZWFBM-UHFFFAOYSA-N 2 0 211.265 0.378 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCC1([NH3+])CCC1 ZINC000449383126 384110241 /nfs/dbraw/zinc/11/02/41/384110241.db2.gz FGDSNVKJEWEARX-GHMZBOCLSA-N 2 0 239.363 0.892 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000648136942 384157947 /nfs/dbraw/zinc/15/79/47/384157947.db2.gz OCVWRRACLMSJTA-NEPJUHHUSA-N 2 0 239.363 0.716 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000648138908 384161705 /nfs/dbraw/zinc/16/17/05/384161705.db2.gz CYCJGRXFAIDAJZ-NXEZZACHSA-N 2 0 246.314 0.176 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000648140108 384166999 /nfs/dbraw/zinc/16/69/99/384166999.db2.gz DFXIQIIYFADJNW-VWYCJHECSA-N 2 0 239.363 0.618 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000648140103 384167398 /nfs/dbraw/zinc/16/73/98/384167398.db2.gz DDUVTPKHKUBPCV-LLVKDONJSA-N 2 0 246.314 0.366 20 0 BCADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)[NH3+] ZINC000237400412 384171132 /nfs/dbraw/zinc/17/11/32/384171132.db2.gz NQZLXVBWFVNRDW-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000081002062 384177723 /nfs/dbraw/zinc/17/77/23/384177723.db2.gz SBAZWUHZGHYRLO-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000566206311 384191109 /nfs/dbraw/zinc/19/11/09/384191109.db2.gz WZPGPVVBXTXRSC-CKYFFXLPSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]1SCC[N@H+](CCOCC[NH3+])[C@H]1C ZINC000132515354 384194037 /nfs/dbraw/zinc/19/40/37/384194037.db2.gz KYVKQRLFJKFRRX-VHSXEESVSA-N 2 0 218.366 0.788 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCOC1 ZINC000132672931 384200417 /nfs/dbraw/zinc/20/04/17/384200417.db2.gz LFXSVXRBGWYPFQ-WOPDTQHZSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@@H]1[C@H](C)SCC[N@@H+]1CCOCC[NH3+] ZINC000132514760 384233554 /nfs/dbraw/zinc/23/35/54/384233554.db2.gz KYVKQRLFJKFRRX-ZJUUUORDSA-N 2 0 218.366 0.788 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)co1 ZINC000336601208 384212760 /nfs/dbraw/zinc/21/27/60/384212760.db2.gz IRTHGIRLKRTNQT-ZJUUUORDSA-N 2 0 237.303 0.738 20 0 BCADRP [NH3+][C@@H](CC(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000163273069 384213112 /nfs/dbraw/zinc/21/31/12/384213112.db2.gz HMUKTTAFJGKXSQ-NEPJUHHUSA-N 2 0 233.315 0.555 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000644155471 384223110 /nfs/dbraw/zinc/22/31/10/384223110.db2.gz IMXLCRQGBPOCLT-RKDXNWHRSA-N 2 0 225.336 0.241 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000644164138 384245933 /nfs/dbraw/zinc/24/59/33/384245933.db2.gz WSOFENUWRJYXCB-WDEREUQCSA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000644164136 384246438 /nfs/dbraw/zinc/24/64/38/384246438.db2.gz WSOFENUWRJYXCB-MNOVXSKESA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069626358 384246883 /nfs/dbraw/zinc/24/68/83/384246883.db2.gz YDPMESOZXZCGDM-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@]1(C(=O)NC[C@H]([NH3+])C2CC2)CCC[NH2+]C1 ZINC000237505922 384250638 /nfs/dbraw/zinc/25/06/38/384250638.db2.gz PJKXDISRRHFWAQ-CMPLNLGQSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H](C)[NH3+])cc1 ZINC000309419956 384259761 /nfs/dbraw/zinc/25/97/61/384259761.db2.gz JSRPWSHJEHBYNT-SFYZADRCSA-N 2 0 207.277 0.992 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000569573606 384272085 /nfs/dbraw/zinc/27/20/85/384272085.db2.gz XYWCMSBYMVPSLB-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH+]1CCC([NH2+]CC(C)(C)O)CC1 ZINC000083461183 384306420 /nfs/dbraw/zinc/30/64/20/384306420.db2.gz YMSILFXXYKIAAO-UHFFFAOYSA-N 2 0 200.326 0.831 20 0 BCADRP C[C@@H]1CN(CC[N@@H+]2CC[C@@](C)(C[NH3+])C2)CCO1 ZINC000564986617 384306447 /nfs/dbraw/zinc/30/64/47/384306447.db2.gz AKVOKEAXAJQPCE-OLZOCXBDSA-N 2 0 241.379 0.378 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000228621263 384291911 /nfs/dbraw/zinc/29/19/11/384291911.db2.gz IIMMJBYBGQKDOM-XWLWVQCSSA-N 2 0 227.352 0.569 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370773195 384294294 /nfs/dbraw/zinc/29/42/94/384294294.db2.gz NAVSNAVGFMAKOW-KXNHARMFSA-N 2 0 237.347 0.276 20 0 BCADRP COC[C@@H]([NH2+][C@@H]1CCCNC1)C(C)C ZINC000083397983 384294873 /nfs/dbraw/zinc/29/48/73/384294873.db2.gz CXKSPUVQIQEAPO-GHMZBOCLSA-N 2 0 200.326 0.999 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(CC[NH2+]C(C)(C)C)CCO1 ZINC000647506496 384295102 /nfs/dbraw/zinc/29/51/02/384295102.db2.gz JXQYYAAYGPTWTI-WDEREUQCSA-N 2 0 229.368 0.423 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000335494403 384299507 /nfs/dbraw/zinc/29/95/07/384299507.db2.gz GAJMPEXXHBBXDP-NSHDSACASA-N 2 0 225.336 0.278 20 0 BCADRP [NH3+][C@H]1Cc2ccccc2N(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000648179179 384301247 /nfs/dbraw/zinc/30/12/47/384301247.db2.gz ONQDVFAOXDXHPA-NWDGAFQWSA-N 2 0 245.326 0.655 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H](C)[NH3+] ZINC000308836500 384338188 /nfs/dbraw/zinc/33/81/88/384338188.db2.gz LNOAMCKVHPOMPK-PSASIEDQSA-N 2 0 201.314 0.213 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH3+])[C@H](C)C1 ZINC000262651506 384340501 /nfs/dbraw/zinc/34/05/01/384340501.db2.gz ALVRUZXYEHKMES-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP CC[C@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CCC[NH2+]1 ZINC000134621964 384373545 /nfs/dbraw/zinc/37/35/45/384373545.db2.gz PBEHPWLGHLTCON-ZYHUDNBSSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224294504 384352782 /nfs/dbraw/zinc/35/27/82/384352782.db2.gz QLLQRKGMXHVZMR-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CC[N@H+](C)C[C@H]1C ZINC000300354966 384353731 /nfs/dbraw/zinc/35/37/31/384353731.db2.gz LAJDIELQEJRPFV-NEPJUHHUSA-N 2 0 213.369 0.996 20 0 BCADRP COCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174729518 384357543 /nfs/dbraw/zinc/35/75/43/384357543.db2.gz LTKWBUGQWYJTES-UHFFFAOYSA-N 2 0 229.368 0.202 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCOCC2)CO1 ZINC000647171282 384393589 /nfs/dbraw/zinc/39/35/89/384393589.db2.gz DWKYCUGMXVQQLO-STQMWFEESA-N 2 0 242.363 0.866 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000648144904 384409975 /nfs/dbraw/zinc/40/99/75/384409975.db2.gz HLVKSBVXNPWWBM-CKYFFXLPSA-N 2 0 235.331 0.408 20 0 BCADRP CCO[C@@H]1C[N@H+](C[C@H]2CC[C@@H](C)O2)C[C@H]1C[NH3+] ZINC000405540234 384412686 /nfs/dbraw/zinc/41/26/86/384412686.db2.gz RISUBHXXPKXTLS-FDYHWXHSSA-N 2 0 242.363 0.850 20 0 BCADRP CCO[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000405541813 384417744 /nfs/dbraw/zinc/41/77/44/384417744.db2.gz SNLHWMNTXRMFDC-FRRDWIJNSA-N 2 0 242.363 0.851 20 0 BCADRP c1cnc(CCN2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000403044765 384422296 /nfs/dbraw/zinc/42/22/96/384422296.db2.gz GTBDDVNVALCLOA-GHMZBOCLSA-N 2 0 218.304 0.170 20 0 BCADRP Cn1cncc1CC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405481092 384378108 /nfs/dbraw/zinc/37/81/08/384378108.db2.gz NBVUVACIIJHTDN-WDEREUQCSA-N 2 0 222.336 0.678 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000335607763 384386654 /nfs/dbraw/zinc/38/66/54/384386654.db2.gz AKLZCFQQXUNZMT-RKDXNWHRSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000248862954 384388068 /nfs/dbraw/zinc/38/80/68/384388068.db2.gz MOWZMTUENHNZKD-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)[C@H](C)[NH3+] ZINC000648145236 384444725 /nfs/dbraw/zinc/44/47/25/384444725.db2.gz VBMMZCVLNUREPN-RNJXMRFFSA-N 2 0 235.278 0.083 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)c1ccccc1CC[NH2+]C ZINC000648145902 384447573 /nfs/dbraw/zinc/44/75/73/384447573.db2.gz XTMXZIPUYHMZAY-LBPRGKRZSA-N 2 0 249.358 0.916 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)N(C)C)C1 ZINC000082645450 384437497 /nfs/dbraw/zinc/43/74/97/384437497.db2.gz XYBLZQQHYSDWIU-GHMZBOCLSA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000648180270 384461777 /nfs/dbraw/zinc/46/17/77/384461777.db2.gz OBNOGAMYZBXQMO-NXEZZACHSA-N 2 0 227.352 0.890 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000036871590 384462557 /nfs/dbraw/zinc/46/25/57/384462557.db2.gz RQMPAHMTNNRZKN-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000648180267 384463040 /nfs/dbraw/zinc/46/30/40/384463040.db2.gz NMLNYZASMJDIAK-ITGUQSILSA-N 2 0 245.326 0.858 20 0 BCADRP C[NH+](C)[C@@H]1CCCN([C@@H]2COC[C@@H]2O)CC1 ZINC000361395401 384466504 /nfs/dbraw/zinc/46/65/04/384466504.db2.gz NVWJUFGCALOZQQ-UTUOFQBUSA-N 2 0 228.336 0.162 20 0 BCADRP C[NH2+]CCC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000648176412 384472187 /nfs/dbraw/zinc/47/21/87/384472187.db2.gz PDCPMGJIIKUKJU-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180671 384476255 /nfs/dbraw/zinc/47/62/55/384476255.db2.gz LVTWCCXHAHZMTR-JTQLQIEISA-N 2 0 239.363 0.905 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180587 384477351 /nfs/dbraw/zinc/47/73/51/384477351.db2.gz ITIPILGKDUMDGG-QWRGUYRKSA-N 2 0 239.363 0.761 20 0 BCADRP [NH3+]C[C@H](C(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000178454351 384477939 /nfs/dbraw/zinc/47/79/39/384477939.db2.gz QMLHQFXUVKTPHK-NEPJUHHUSA-N 2 0 233.315 0.207 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000359052634 384482325 /nfs/dbraw/zinc/48/23/25/384482325.db2.gz GHKYFKNQNUYNJC-VOMCLLRMSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000249097074 384482805 /nfs/dbraw/zinc/48/28/05/384482805.db2.gz UFTBTDXPTRRSOQ-SRVKXCTJSA-N 2 0 241.379 0.770 20 0 BCADRP [NH3+]CCCC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180866 384484613 /nfs/dbraw/zinc/48/46/13/384484613.db2.gz SBYULXJUNKEFLS-SNVBAGLBSA-N 2 0 225.336 0.516 20 0 BCADRP CC[N@H+](CC(=O)N1CCC[NH+](C)CC1)C1CC1 ZINC000363518749 384484818 /nfs/dbraw/zinc/48/48/18/384484818.db2.gz ACVNXLPSMVQVDZ-UHFFFAOYSA-N 2 0 239.363 0.635 20 0 BCADRP C[N@H+](CCOCCO)C[C@H]1CCC[NH+](C)C1 ZINC000172585161 384498771 /nfs/dbraw/zinc/49/87/71/384498771.db2.gz NCCCRPQOBZKFQA-LBPRGKRZSA-N 2 0 230.352 0.269 20 0 BCADRP CN(C(=O)CCC(C)(C)[NH3+])[C@@H](C[NH3+])C1CC1 ZINC000648176678 384499386 /nfs/dbraw/zinc/49/93/86/384499386.db2.gz HTEPKQFKUGCVHM-JTQLQIEISA-N 2 0 227.352 0.700 20 0 BCADRP CN(C(=O)[C@H]1CCC[NH2+]1)C1(C[NH3+])CCC1 ZINC000648147051 384503326 /nfs/dbraw/zinc/50/33/26/384503326.db2.gz AKGPAVSWEWTYIM-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000372502295 384511068 /nfs/dbraw/zinc/51/10/68/384511068.db2.gz FWFALSJPWFFASK-VIFPVBQESA-N 2 0 213.325 0.372 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180907 384488407 /nfs/dbraw/zinc/48/84/07/384488407.db2.gz TVTUBDDJQNNJAX-NSHDSACASA-N 2 0 239.363 0.777 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)[C@@H]2C1 ZINC000648169117 384517740 /nfs/dbraw/zinc/51/77/40/384517740.db2.gz YEQXMUFETLDFFY-LBELIVKGSA-N 2 0 249.358 0.004 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000569607383 384530691 /nfs/dbraw/zinc/53/06/91/384530691.db2.gz NGDYZLQYNOTOKQ-WDEREUQCSA-N 2 0 233.315 0.640 20 0 BCADRP COC(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397343502 384533935 /nfs/dbraw/zinc/53/39/35/384533935.db2.gz WVVZAQYKXPNVKZ-BBBLOLIVSA-N 2 0 214.309 0.465 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C[C@H]1CC[NH2+]C1 ZINC000648177341 384543606 /nfs/dbraw/zinc/54/36/06/384543606.db2.gz UGJHFJLEILRCTC-NXEZZACHSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)C(N)=O ZINC000183639403 384543695 /nfs/dbraw/zinc/54/36/95/384543695.db2.gz BZDPNFHLYPCUBC-VWYCJHECSA-N 2 0 241.379 0.816 20 0 BCADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CO[C@H](C)C1 ZINC000647180999 384553818 /nfs/dbraw/zinc/55/38/18/384553818.db2.gz DUKOTVRNZLMSEY-JHJVBQTASA-N 2 0 241.379 0.389 20 0 BCADRP CCCCNC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000305945870 384558852 /nfs/dbraw/zinc/55/88/52/384558852.db2.gz CAIVOGQEQVVQDR-LLVKDONJSA-N 2 0 245.367 0.198 20 0 BCADRP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000236648136 384538783 /nfs/dbraw/zinc/53/87/83/384538783.db2.gz DIJJLRJPVZJVGB-NEPJUHHUSA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000236786990 384570986 /nfs/dbraw/zinc/57/09/86/384570986.db2.gz WODLEYTUKVXNSW-TUAOUCFPSA-N 2 0 241.379 0.959 20 0 BCADRP CC(C)C[C@H]([NH3+])c1noc(C2(C)C[NH2+]C2)n1 ZINC000517935365 384582029 /nfs/dbraw/zinc/58/20/29/384582029.db2.gz RPNLCCBZPDQPDJ-QMMMGPOBSA-N 2 0 224.308 0.976 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]([NH3+])C(C)C ZINC000236837587 384591140 /nfs/dbraw/zinc/59/11/40/384591140.db2.gz CDTSNXIOCGSFLA-MNOVXSKESA-N 2 0 229.368 0.802 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000236746103 384567991 /nfs/dbraw/zinc/56/79/91/384567991.db2.gz PPKJRIVXDSGXNJ-NEPJUHHUSA-N 2 0 241.379 0.818 20 0 BCADRP CC[NH+](CC)CC[C@H](CO)[NH2+][C@@H](C)[C@@H](C)O ZINC000647530373 384609569 /nfs/dbraw/zinc/60/95/69/384609569.db2.gz AOINIOVZZQSQEU-QJPTWQEYSA-N 2 0 232.368 0.438 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000178806574 384619108 /nfs/dbraw/zinc/61/91/08/384619108.db2.gz QWVGOQCVOPZVNA-WCQYABFASA-N 2 0 247.342 0.884 20 0 BCADRP CC(C)[C@H]1CN(CC2(C[NH3+])CC2)CC[NH2+]1 ZINC000647531731 384633603 /nfs/dbraw/zinc/63/36/03/384633603.db2.gz WGRFXJLRSWYXEZ-LLVKDONJSA-N 2 0 211.353 0.655 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000309803615 384627894 /nfs/dbraw/zinc/62/78/94/384627894.db2.gz RPMIYGFLTCBJOD-UWVGGRQHSA-N 2 0 213.325 0.372 20 0 BCADRP CC(C)([NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000040923615 384631083 /nfs/dbraw/zinc/63/10/83/384631083.db2.gz XVMCPHYJQZTEJK-SECBINFHSA-N 2 0 211.309 0.030 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CCC[NH3+] ZINC000309760329 384592275 /nfs/dbraw/zinc/59/22/75/384592275.db2.gz IORLEGWLXUNSKY-YWVKMMECSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000449598546 384664277 /nfs/dbraw/zinc/66/42/77/384664277.db2.gz IQKYKVUPFPAFNV-UTUOFQBUSA-N 2 0 241.379 0.866 20 0 BCADRP c1ncn([C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000647538211 384668358 /nfs/dbraw/zinc/66/83/58/384668358.db2.gz JCSDBFATADXDGK-RYUDHWBXSA-N 2 0 235.335 0.525 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000569349544 384637806 /nfs/dbraw/zinc/63/78/06/384637806.db2.gz LLZNAMVQXCSXOI-XQQFMLRXSA-N 2 0 242.363 0.899 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCCC[NH3+] ZINC000309820143 384638467 /nfs/dbraw/zinc/63/84/67/384638467.db2.gz WBZAEFNITVDTKM-GXSJLCMTSA-N 2 0 213.325 0.359 20 0 BCADRP Cn1ccnc1CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647532784 384639494 /nfs/dbraw/zinc/63/94/94/384639494.db2.gz DGPLWJLBTDQAHT-GHMZBOCLSA-N 2 0 220.320 0.604 20 0 BCADRP [NH3+]CC1(CN2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000647534327 384645498 /nfs/dbraw/zinc/64/54/98/384645498.db2.gz KVQYXONDKBLRKJ-GHMZBOCLSA-N 2 0 209.337 0.409 20 0 BCADRP C(C1CC[NH2+]CC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647534048 384645875 /nfs/dbraw/zinc/64/58/75/384645875.db2.gz FKTPYXXGBGFUMF-STQMWFEESA-N 2 0 223.364 0.670 20 0 BCADRP C[NH+](C)CC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363599744 384650064 /nfs/dbraw/zinc/65/00/64/384650064.db2.gz GLURLAQGZJJBAI-QWRGUYRKSA-N 2 0 225.336 0.291 20 0 BCADRP C[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363599741 384650226 /nfs/dbraw/zinc/65/02/26/384650226.db2.gz GLURLAQGZJJBAI-MNOVXSKESA-N 2 0 225.336 0.291 20 0 BCADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000045135559 384662924 /nfs/dbraw/zinc/66/29/24/384662924.db2.gz BQSUHTRVJOCXCL-LLVKDONJSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000178826220 384678001 /nfs/dbraw/zinc/67/80/01/384678001.db2.gz PPNWTLYEOFUDSM-VIFPVBQESA-N 2 0 227.352 0.700 20 0 BCADRP COC[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000173395747 384681182 /nfs/dbraw/zinc/68/11/82/384681182.db2.gz MQOAUEWEEMPEBI-WDEREUQCSA-N 2 0 200.326 0.905 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000449603444 384685979 /nfs/dbraw/zinc/68/59/79/384685979.db2.gz QUGQRAXEWMLJDR-ZNSHCXBVSA-N 2 0 227.352 0.711 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)C[NH+](C)C)CCO1 ZINC000300358611 384687067 /nfs/dbraw/zinc/68/70/67/384687067.db2.gz JBXFIPIRNLQZAK-UTUOFQBUSA-N 2 0 230.352 0.456 20 0 BCADRP C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000086932341 384720345 /nfs/dbraw/zinc/72/03/45/384720345.db2.gz MHILTEGARHRASF-KXUCPTDWSA-N 2 0 211.309 0.029 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000054072627 384727972 /nfs/dbraw/zinc/72/79/72/384727972.db2.gz RFBNYSPUEOMWFN-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP C1[NH2+]C[C@H]2CC[C@@H]([NH2+][C@@H]3CCCNC3)C[C@@H]12 ZINC000647546848 384732856 /nfs/dbraw/zinc/73/28/56/384732856.db2.gz DHLZCDWZJQAELI-YVECIDJPSA-N 2 0 223.364 0.716 20 0 BCADRP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000647546652 384732879 /nfs/dbraw/zinc/73/28/79/384732879.db2.gz UIFAJRIUCNGLIO-FKJOKYEKSA-N 2 0 223.364 0.859 20 0 BCADRP CCC[NH2+]CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546974 384733595 /nfs/dbraw/zinc/73/35/95/384733595.db2.gz IPRGBBRYBXFALX-YNEHKIRRSA-N 3 0 225.380 0.964 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](N[C@@H](CC[NH3+])C(F)F)C1 ZINC000647546839 384733892 /nfs/dbraw/zinc/73/38/92/384733892.db2.gz DETGIBWEZIXHHN-YIZRAAEISA-N 2 0 221.295 0.557 20 0 BCADRP C([NH2+][C@H]1CCC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000647547379 384735857 /nfs/dbraw/zinc/73/58/57/384735857.db2.gz UWBHDMSXELIRJT-LBPRGKRZSA-N 3 0 211.353 0.718 20 0 BCADRP C(N[C@H]1CCC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000647546985 384736867 /nfs/dbraw/zinc/73/68/67/384736867.db2.gz JLOBRQRQYKPOTH-NEPJUHHUSA-N 2 0 211.353 0.718 20 0 BCADRP C([NH2+][C@@H]1CCC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000647547378 384738084 /nfs/dbraw/zinc/73/80/84/384738084.db2.gz UWBHDMSXELIRJT-GFCCVEGCSA-N 3 0 211.353 0.718 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648185969 384739480 /nfs/dbraw/zinc/73/94/80/384739480.db2.gz KOTGDVYJRLGBOL-VHSXEESVSA-N 2 0 225.336 0.515 20 0 BCADRP C[NH+](C)CCCNC(=O)c1ccc(C[NH3+])cc1 ZINC000022172507 384740569 /nfs/dbraw/zinc/74/05/69/384740569.db2.gz ZNNOFDLUQYQWDZ-UHFFFAOYSA-N 2 0 235.331 0.827 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648185963 384741248 /nfs/dbraw/zinc/74/12/48/384741248.db2.gz KMBCZGRHGVYJMS-ZJUUUORDSA-N 2 0 225.336 0.372 20 0 BCADRP CN1CCC([NH2+]CCN2CC=CCC2)CC1 ZINC000309990289 384762388 /nfs/dbraw/zinc/76/23/88/384762388.db2.gz ZVXAMNCOIPKNFE-UHFFFAOYSA-N 2 0 223.364 0.932 20 0 BCADRP Cc1ccc([C@@H]([NH3+])C(=O)NCC[NH+](C)C)cc1 ZINC000083362634 384764781 /nfs/dbraw/zinc/76/47/81/384764781.db2.gz VWGJRADMCUTLEQ-GFCCVEGCSA-N 2 0 235.331 0.673 20 0 BCADRP C[C@@H](CC(N)=O)[NH2+]CCCC[NH+](C)C ZINC000308583977 384828935 /nfs/dbraw/zinc/82/89/35/384828935.db2.gz QTPGZBXLIVODPC-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000518188190 384782806 /nfs/dbraw/zinc/78/28/06/384782806.db2.gz ICRQLUCSGSQBHX-JTQLQIEISA-N 2 0 227.352 0.762 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000648188009 384799487 /nfs/dbraw/zinc/79/94/87/384799487.db2.gz LAGKJCJKYFVSGU-NQBHXWOUSA-N 2 0 249.358 0.798 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)CC1([NH3+])CCC1 ZINC000648188185 384800140 /nfs/dbraw/zinc/80/01/40/384800140.db2.gz XIXHHLRUKAXTMC-RKDXNWHRSA-N 2 0 213.325 0.500 20 0 BCADRP C[C@@H](CNC(=O)C1([NH3+])CC1)C[NH+]1CCCC1 ZINC000083835988 384800276 /nfs/dbraw/zinc/80/02/76/384800276.db2.gz NFIXGDWMYXQHFV-JTQLQIEISA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)CCC(C)(C)[NH3+] ZINC000648187871 384800436 /nfs/dbraw/zinc/80/04/36/384800436.db2.gz AFHGLMLJHZAYGV-RKDXNWHRSA-N 2 0 215.341 0.746 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000648187951 384801083 /nfs/dbraw/zinc/80/10/83/384801083.db2.gz GJRLBAGUQXINQP-DJLDLDEBSA-N 2 0 201.314 0.212 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000648190280 384802833 /nfs/dbraw/zinc/80/28/33/384802833.db2.gz NFIYJZGCNCOKDS-YIZRAAEISA-N 2 0 213.325 0.226 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CCCC[NH3+] ZINC000648190271 384803822 /nfs/dbraw/zinc/80/38/22/384803822.db2.gz MADHTJRPTAVKIO-IUCAKERBSA-N 2 0 201.314 0.357 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)[NH+](C)C ZINC000368199270 384805584 /nfs/dbraw/zinc/80/55/84/384805584.db2.gz FPJFBPPQNJPLMG-GARJFASQSA-N 2 0 245.342 0.389 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C(C)(C)[NH3+])C1 ZINC000236902326 384808337 /nfs/dbraw/zinc/80/83/37/384808337.db2.gz IFHJPLVADUWMGF-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C[NH2+]C)C1 ZINC000236902483 384808487 /nfs/dbraw/zinc/80/84/87/384808487.db2.gz JEGPTAZUYCFFLG-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)CC[NH2+]C(C)C ZINC000557191533 384871989 /nfs/dbraw/zinc/87/19/89/384871989.db2.gz ISDMVINXXQLACN-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP CCCC[C@@H](C)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000305956480 384879515 /nfs/dbraw/zinc/87/95/15/384879515.db2.gz DRMSBEHBUBSLAQ-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648205932 384840517 /nfs/dbraw/zinc/84/05/17/384840517.db2.gz PATMRZPAYXYNPJ-DTWKUNHWSA-N 2 0 211.309 0.125 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648205749 384840921 /nfs/dbraw/zinc/84/09/21/384840921.db2.gz NGQZAHZLMQIWOC-NSHDSACASA-N 2 0 239.363 0.777 20 0 BCADRP C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]1 ZINC000423379338 384848617 /nfs/dbraw/zinc/84/86/17/384848617.db2.gz XEXITHFQPPIKLN-WHOHXGKFSA-N 2 0 211.353 0.986 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648209976 384849223 /nfs/dbraw/zinc/84/92/23/384849223.db2.gz GRRAGKXUNFXWPE-GARJFASQSA-N 2 0 239.363 0.761 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000364036091 384888767 /nfs/dbraw/zinc/88/87/67/384888767.db2.gz JZWXMWWRPDGMPI-LOWVWBTDSA-N 2 0 239.363 0.857 20 0 BCADRP CCO[C@H](CC[NH+](C)C)CNC(=O)CCC[NH3+] ZINC000236935377 384853889 /nfs/dbraw/zinc/85/38/89/384853889.db2.gz VQQIKKJCMZTWJV-LLVKDONJSA-N 2 0 245.367 0.198 20 0 BCADRP C[NH2+]CCC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648210135 384854827 /nfs/dbraw/zinc/85/48/27/384854827.db2.gz KVQXHBHRNXTBQZ-JTQLQIEISA-N 2 0 225.336 0.387 20 0 BCADRP O=C(C[NH2+]C1CC1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648210159 384855619 /nfs/dbraw/zinc/85/56/19/384855619.db2.gz LJLCOSUETMLRSD-LLVKDONJSA-N 2 0 237.347 0.529 20 0 BCADRP O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648210613 384857377 /nfs/dbraw/zinc/85/73/77/384857377.db2.gz WGGSGHJSAIPBPF-KXNHARMFSA-N 2 0 249.358 0.243 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000370785955 384859787 /nfs/dbraw/zinc/85/97/87/384859787.db2.gz GYXQOJUKGHBONQ-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[NH2+]CCC(=O)N(C)CC(C)(C)C[NH3+] ZINC000557171227 384862108 /nfs/dbraw/zinc/86/21/08/384862108.db2.gz FQLQLXNMNKJIGZ-UHFFFAOYSA-N 2 0 229.368 0.818 20 0 BCADRP CO[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H]1OC ZINC000234812758 384867431 /nfs/dbraw/zinc/86/74/31/384867431.db2.gz QZCVMZJKKWAEHU-TXEJJXNPSA-N 2 0 228.336 0.332 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000086271853 384868619 /nfs/dbraw/zinc/86/86/19/384868619.db2.gz JYLYXHZQSDMBBJ-WDEREUQCSA-N 2 0 227.352 0.441 20 0 BCADRP CCC[NH+]1CCC(NC(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000156769245 384954752 /nfs/dbraw/zinc/95/47/52/384954752.db2.gz YWTZSIMJPDRISI-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP Fc1ccc(C[NH2+]C[C@H]2CNCCO2)cc1 ZINC000258984123 384956480 /nfs/dbraw/zinc/95/64/80/384956480.db2.gz UXVALDUJTYNXGQ-GFCCVEGCSA-N 2 0 224.279 0.904 20 0 BCADRP CC[NH+](CC)CC(=O)NCC[N@H+](CC)C1CC1 ZINC000101957403 384904214 /nfs/dbraw/zinc/90/42/14/384904214.db2.gz KYBAHHWBSDQWLT-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH+](C)C ZINC000557466887 384958629 /nfs/dbraw/zinc/95/86/29/384958629.db2.gz BIWIICGPPHSUMI-QWRGUYRKSA-N 2 0 227.352 0.252 20 0 BCADRP CN(C(=O)[C@@H]1[NH2+]CCCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000565765479 384959100 /nfs/dbraw/zinc/95/91/00/384959100.db2.gz QXZNKYMAZAYEMB-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)C[NH+]1CCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000156646348 384915691 /nfs/dbraw/zinc/91/56/91/384915691.db2.gz ZFKIVRKPWGZNRA-NEPJUHHUSA-N 2 0 241.379 0.770 20 0 BCADRP C[NH+]1CCC(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000257755551 384924506 /nfs/dbraw/zinc/92/45/06/384924506.db2.gz ZYGASYFJVMVNSQ-LLVKDONJSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H]1CCC[N@H+](CCCC[NH2+]CCC(N)=O)C1 ZINC000644522030 384926388 /nfs/dbraw/zinc/92/63/88/384926388.db2.gz UBMWRCFJYHIUBW-LBPRGKRZSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@@H](O)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000644523465 384936111 /nfs/dbraw/zinc/93/61/11/384936111.db2.gz KALYEYRKZJDYJV-LLVKDONJSA-N 2 0 216.325 0.069 20 0 BCADRP CC[C@H](O)CN1CCC([N@H+](C)CCCO)CC1 ZINC000115739208 384937513 /nfs/dbraw/zinc/93/75/13/384937513.db2.gz DDHJVNVMDLZAAK-ZDUSSCGKSA-N 2 0 244.379 0.536 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NC[C@@H]([NH3+])C2CC2)o1 ZINC000646904422 384981422 /nfs/dbraw/zinc/98/14/22/384981422.db2.gz KCDSBCAHNZSDFT-SECBINFHSA-N 2 0 223.276 0.205 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000086064763 384984107 /nfs/dbraw/zinc/98/41/07/384984107.db2.gz BLVMHMQEPJXMIM-JTQLQIEISA-N 2 0 229.368 0.546 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023897 384992935 /nfs/dbraw/zinc/99/29/35/384992935.db2.gz MBDZZULCUKOODP-HBNTYKKESA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023748 384995663 /nfs/dbraw/zinc/99/56/63/384995663.db2.gz ZAMSGQAZDDQKKC-IJLUTSLNSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1CC[NH2+]CC1 ZINC000186809067 134437959 /nfs/dbraw/zinc/43/79/59/134437959.db2.gz IPNVCGLLIUXUGL-GXSJLCMTSA-N 2 0 225.336 0.100 20 0 BCADRP C[NH+](C)CCOCC[NH2+]Cc1ccns1 ZINC000404451968 385000116 /nfs/dbraw/zinc/00/01/16/385000116.db2.gz JKSZOUYAMSUWBC-UHFFFAOYSA-N 2 0 229.349 0.811 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000648148532 385001935 /nfs/dbraw/zinc/00/19/35/385001935.db2.gz NMUVAYNPRDJVPK-VHSXEESVSA-N 2 0 227.352 0.748 20 0 BCADRP CC[C@]1(C(=O)N2CCC(C[NH3+])CC2)CC[NH2+]C1 ZINC000370846307 385009595 /nfs/dbraw/zinc/00/95/95/385009595.db2.gz LTHMTMZIFUZWPV-ZDUSSCGKSA-N 2 0 239.363 0.573 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000129779609 385010898 /nfs/dbraw/zinc/01/08/98/385010898.db2.gz LMCBDJDJOIDCDV-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000367649001 385011806 /nfs/dbraw/zinc/01/18/06/385011806.db2.gz ONUKFWIYNYYHQE-SCVCMEIPSA-N 2 0 225.336 0.311 20 0 BCADRP C[N@H+](CCn1cccn1)C[C@@H]1CCC[NH2+]C1 ZINC000226439649 385020287 /nfs/dbraw/zinc/02/02/87/385020287.db2.gz XJCGVXPPFITOAE-GFCCVEGCSA-N 2 0 222.336 0.815 20 0 BCADRP C[C@H](O)C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000644561683 384961396 /nfs/dbraw/zinc/96/13/96/384961396.db2.gz DZQDKJRUHMHPKS-NWDGAFQWSA-N 2 0 241.379 0.125 20 0 BCADRP C[N@H+](CC[C@H]1CC[NH2+]C1)CCN1CCOCC1 ZINC000259129746 384964580 /nfs/dbraw/zinc/96/45/80/384964580.db2.gz CVYQAGWWVCZIFG-CYBMUJFWSA-N 2 0 241.379 0.250 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC[NH+](CC)CC ZINC000037481196 385056202 /nfs/dbraw/zinc/05/62/02/385056202.db2.gz SWOSLTKPBNHIDP-GFCCVEGCSA-N 2 0 229.368 0.962 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[NH2+]CCC1(F)F ZINC000647640671 385069819 /nfs/dbraw/zinc/06/98/19/385069819.db2.gz YBYITBLRIMAYRR-BDAKNGLRSA-N 2 0 247.289 0.099 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000646941369 385070229 /nfs/dbraw/zinc/07/02/29/385070229.db2.gz YMXAJBGGFIXGSS-VXGBXAGGSA-N 2 0 239.363 0.491 20 0 BCADRP C[C@H](N[C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)N(C)C ZINC000404800933 385077422 /nfs/dbraw/zinc/07/74/22/385077422.db2.gz ACIOGNVRLVMBGF-DJLDLDEBSA-N 2 0 213.325 0.179 20 0 BCADRP C[C@H](N[C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)N(C)C ZINC000404800935 385077479 /nfs/dbraw/zinc/07/74/79/385077479.db2.gz ACIOGNVRLVMBGF-YIZRAAEISA-N 2 0 213.325 0.179 20 0 BCADRP CC[NH+](CC)CCOCC[NH2+]C[C@@H](C)O ZINC000644621441 385027073 /nfs/dbraw/zinc/02/70/73/385027073.db2.gz UFRHTDNVWQKHCC-LLVKDONJSA-N 2 0 218.341 0.315 20 0 BCADRP CC[C@@H](O)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000644639710 385043287 /nfs/dbraw/zinc/04/32/87/385043287.db2.gz RDUJBAVSNVKKDE-GFCCVEGCSA-N 2 0 243.395 0.373 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000310411382 385045318 /nfs/dbraw/zinc/04/53/18/385045318.db2.gz WUWOIVASYZMEOW-RKDXNWHRSA-N 2 0 249.305 0.522 20 0 BCADRP Cn1ccnc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310538485 385108590 /nfs/dbraw/zinc/10/85/90/385108590.db2.gz BLQBQXAIOJSCIK-TXEJJXNPSA-N 2 0 234.347 0.852 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CCC[NH2+]CC1)[C@@H](C)[NH3+] ZINC000646985295 385111594 /nfs/dbraw/zinc/11/15/94/385111594.db2.gz WYDLCMBBOKJPJG-WOPDTQHZSA-N 2 0 241.379 0.864 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646987058 385114549 /nfs/dbraw/zinc/11/45/49/385114549.db2.gz DSUUJPJRDGZBCP-NWDGAFQWSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646988374 385117922 /nfs/dbraw/zinc/11/79/22/385117922.db2.gz NWKBEIKDGFDPCV-GARJFASQSA-N 2 0 225.336 0.243 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646988316 385118495 /nfs/dbraw/zinc/11/84/95/385118495.db2.gz MCGNAMHMJOZKFC-LLVKDONJSA-N 2 0 227.352 0.633 20 0 BCADRP C[C@@H]([NH3+])CCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000377555045 385119655 /nfs/dbraw/zinc/11/96/55/385119655.db2.gz QLLQHTCVPNSNKT-OPRDCNLKSA-N 2 0 213.325 0.228 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646988431 385121507 /nfs/dbraw/zinc/12/15/07/385121507.db2.gz PRGZMDKXNOQSJY-GHMZBOCLSA-N 2 0 227.352 0.633 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC(C)([NH3+])CC1 ZINC000646994016 385122788 /nfs/dbraw/zinc/12/27/88/385122788.db2.gz RUEOXKBXEVUIAY-SNVBAGLBSA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)[C@H](C(=O)N1CCC(C)([NH3+])CC1)[C@H](C)[NH3+] ZINC000646993374 385124168 /nfs/dbraw/zinc/12/41/68/385124168.db2.gz TWHUOYCVLZCMQQ-QWRGUYRKSA-N 2 0 241.379 0.946 20 0 BCADRP CC1([NH3+])CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000646992015 385128473 /nfs/dbraw/zinc/12/84/73/385128473.db2.gz WQYLYFIHQDXTAM-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000646998206 385131625 /nfs/dbraw/zinc/13/16/25/385131625.db2.gz WJYVFSMUPPPGPN-LSCVPOLPSA-N 2 0 237.347 0.372 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000647018127 385142624 /nfs/dbraw/zinc/14/26/24/385142624.db2.gz HJOGHCBODYGFJB-YTWAJWBKSA-N 2 0 225.336 0.241 20 0 BCADRP C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000566246433 385138893 /nfs/dbraw/zinc/13/88/93/385138893.db2.gz ZYTPYHDDSHWDSH-FRRDWIJNSA-N 2 0 241.379 0.376 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@H](C)[C@H](C)[NH3+])CC[C@@H]1[NH3+] ZINC000647015248 385140181 /nfs/dbraw/zinc/14/01/81/385140181.db2.gz LDCWXVAFNMMSAM-YTWAJWBKSA-N 2 0 227.352 0.556 20 0 BCADRP COC[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000644669264 385087031 /nfs/dbraw/zinc/08/70/31/385087031.db2.gz QBZHZFXVOSRSFW-VXGBXAGGSA-N 2 0 230.352 0.315 20 0 BCADRP C[C@@]1(CNC(=O)C[C@H]2CC[NH2+]C2)CCC[NH2+]C1 ZINC000646965947 385091531 /nfs/dbraw/zinc/09/15/31/385091531.db2.gz GUUADSHNHPXZOL-DGCLKSJQSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000646976693 385106296 /nfs/dbraw/zinc/10/62/96/385106296.db2.gz DIIQBKLVUCZOAC-MWLCHTKSSA-N 2 0 223.320 0.020 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000559873089 385201610 /nfs/dbraw/zinc/20/16/10/385201610.db2.gz ZIRJAKPKAYOLEH-RNJOBUHISA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449483808 385182520 /nfs/dbraw/zinc/18/25/20/385182520.db2.gz CKLJJLZBDLWVKE-SMDDNHRTSA-N 2 0 247.342 0.381 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000647051238 385188016 /nfs/dbraw/zinc/18/80/16/385188016.db2.gz BPFWAFWNROVCMZ-OUAUKWLOSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647055424 385195727 /nfs/dbraw/zinc/19/57/27/385195727.db2.gz YWZCZXKBPKJOEO-DCAQKATOSA-N 2 0 237.347 0.243 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647056248 385197424 /nfs/dbraw/zinc/19/74/24/385197424.db2.gz XWGDDLFKXOUSCG-GHMZBOCLSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+]C1(C(=O)N[C@H]2CC23CC[NH2+]CC3)CCC1 ZINC000647055944 385197546 /nfs/dbraw/zinc/19/75/46/385197546.db2.gz LLEBSSMGLZDERV-VIFPVBQESA-N 2 0 223.320 0.126 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647055122 385199813 /nfs/dbraw/zinc/19/98/13/385199813.db2.gz MDVCZULJZSCIGU-LLVKDONJSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])C2CCC2)CC[NH2+]1 ZINC000647018318 385143118 /nfs/dbraw/zinc/14/31/18/385143118.db2.gz BLQHRCMNLKQZRZ-FBIMIBRVSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2[NH2+]CC2(C)C)CC[NH2+]1 ZINC000647018264 385143729 /nfs/dbraw/zinc/14/37/29/385143729.db2.gz XFWVFSASUSNMTF-OPRDCNLKSA-N 2 0 225.336 0.241 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647011701 385145872 /nfs/dbraw/zinc/14/58/72/385145872.db2.gz JAFHMLUIZREBNJ-VXGBXAGGSA-N 2 0 241.379 0.914 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647011699 385146480 /nfs/dbraw/zinc/14/64/80/385146480.db2.gz JAFHMLUIZREBNJ-NWDGAFQWSA-N 2 0 241.379 0.914 20 0 BCADRP C[N@H+](CCNC(=O)C1(C[NH3+])CCCC1)C1CC1 ZINC000061995815 385148485 /nfs/dbraw/zinc/14/84/85/385148485.db2.gz WXXQANMDOBDZDG-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H](C)[NH3+])[C@@H](C)[NH3+] ZINC000647020866 385149545 /nfs/dbraw/zinc/14/95/45/385149545.db2.gz PSVWYEYQWKTGTA-YIZRAAEISA-N 2 0 201.314 0.069 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000647021358 385150391 /nfs/dbraw/zinc/15/03/91/385150391.db2.gz LKRREZLJYLEGNY-CABZTGNLSA-N 2 0 233.315 0.337 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000647021357 385151660 /nfs/dbraw/zinc/15/16/60/385151660.db2.gz LKRREZLJYLEGNY-BXKDBHETSA-N 2 0 233.315 0.337 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH3+] ZINC000647022100 385152576 /nfs/dbraw/zinc/15/25/76/385152576.db2.gz XJQMNUHRLBBYRC-VHSXEESVSA-N 2 0 213.325 0.324 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH3+] ZINC000647022101 385153684 /nfs/dbraw/zinc/15/36/84/385153684.db2.gz XJQMNUHRLBBYRC-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)C[NH+]1CCC(C)CC1 ZINC000647022292 385153793 /nfs/dbraw/zinc/15/37/93/385153793.db2.gz CXUWIMNRETYCIZ-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000647023171 385155379 /nfs/dbraw/zinc/15/53/79/385155379.db2.gz RHDYNSMAIZRFHF-QZWZXBRZSA-N 2 0 239.363 0.603 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000647022839 385156021 /nfs/dbraw/zinc/15/60/21/385156021.db2.gz HXVAJJKTSYGZFU-GZMMTYOYSA-N 2 0 239.294 0.331 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H](C)[NH3+] ZINC000647023320 385157803 /nfs/dbraw/zinc/15/78/03/385157803.db2.gz WYUHFTVPZPSIJH-ONGXEEELSA-N 2 0 221.304 0.458 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000647026808 385160269 /nfs/dbraw/zinc/16/02/69/385160269.db2.gz VYYNACVNESVQTN-PWSUYJOCSA-N 2 0 239.363 0.701 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000647026807 385160363 /nfs/dbraw/zinc/16/03/63/385160363.db2.gz VYYNACVNESVQTN-JQWIXIFHSA-N 2 0 239.363 0.701 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647024817 385163317 /nfs/dbraw/zinc/16/33/17/385163317.db2.gz PKQVQUGUAKEIFC-TUAOUCFPSA-N 2 0 237.347 0.196 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C1CC[NH2+]CC1 ZINC000647033475 385170324 /nfs/dbraw/zinc/17/03/24/385170324.db2.gz COYPDOVSRXEHRU-QWRGUYRKSA-N 2 0 243.326 0.144 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CC[C@@H](C)[NH3+] ZINC000647036165 385173168 /nfs/dbraw/zinc/17/31/68/385173168.db2.gz VXAQTYTZDZXHCK-UTLUCORTSA-N 2 0 231.315 0.272 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000647036201 385173577 /nfs/dbraw/zinc/17/35/77/385173577.db2.gz XRSLXOMPXBLXRV-VPOLOUISSA-N 2 0 243.326 0.143 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647059085 385201294 /nfs/dbraw/zinc/20/12/94/385201294.db2.gz PXTAJSHUDUOMEL-TUAOUCFPSA-N 2 0 239.363 0.428 20 0 BCADRP CC[NH+](CC)C[C@H](C)N[C@@H](C)C1C[NH2+]C1 ZINC000422723217 385201460 /nfs/dbraw/zinc/20/14/60/385201460.db2.gz ZZZPLRGTSQVCHM-QWRGUYRKSA-N 2 0 213.369 0.914 20 0 BCADRP CC[NH+](CC)C[C@H](C)N[C@H](C)C1C[NH2+]C1 ZINC000422723218 385201487 /nfs/dbraw/zinc/20/14/87/385201487.db2.gz ZZZPLRGTSQVCHM-WDEREUQCSA-N 2 0 213.369 0.914 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647060815 385207615 /nfs/dbraw/zinc/20/76/15/385207615.db2.gz WHWAMFQAFBBBCE-FIQHERPVSA-N 2 0 239.363 0.428 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000647064407 385209188 /nfs/dbraw/zinc/20/91/88/385209188.db2.gz PPMLUKUKZOQKGL-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000647064684 385209596 /nfs/dbraw/zinc/20/95/96/385209596.db2.gz PFYXVCANMDKJOM-IUCAKERBSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCOC1 ZINC000252712008 385211070 /nfs/dbraw/zinc/21/10/70/385211070.db2.gz LFXSVXRBGWYPFQ-IJLUTSLNSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000647064682 385211184 /nfs/dbraw/zinc/21/11/84/385211184.db2.gz PFYXVCANMDKJOM-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000364170890 385211156 /nfs/dbraw/zinc/21/11/56/385211156.db2.gz NETKYXNIOVYIKO-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC1CC[NH+](C)CC1 ZINC000107801913 385213415 /nfs/dbraw/zinc/21/34/15/385213415.db2.gz NAHAPTSGXSTWGV-LBPRGKRZSA-N 2 0 211.353 0.764 20 0 BCADRP C[C@@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C)[NH3+] ZINC000647068793 385215345 /nfs/dbraw/zinc/21/53/45/385215345.db2.gz UOESANWQCQUEKB-JQYRIEHKSA-N 2 0 239.363 0.759 20 0 BCADRP CC(C)([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726693 385223625 /nfs/dbraw/zinc/22/36/25/385223625.db2.gz RYDNDFTZRBMZMT-MRVPVSSYSA-N 2 0 211.309 0.077 20 0 BCADRP CCOCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000164662069 385223657 /nfs/dbraw/zinc/22/36/57/385223657.db2.gz FTNAENCCEWSWIA-WDEREUQCSA-N 2 0 200.326 0.940 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726817 385225276 /nfs/dbraw/zinc/22/52/76/385225276.db2.gz BHRGUWZZGCNCMC-SCZZXKLOSA-N 2 0 211.309 0.077 20 0 BCADRP C[NH+](C)CCN(C(=O)C[NH3+])c1ccccc1 ZINC000166204462 385227504 /nfs/dbraw/zinc/22/75/04/385227504.db2.gz OMJJAQWVZMXDTR-UHFFFAOYSA-N 2 0 221.304 0.540 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000037643492 385234742 /nfs/dbraw/zinc/23/47/42/385234742.db2.gz WLVYKVOWVDVWSN-WCQYABFASA-N 2 0 241.379 0.962 20 0 BCADRP CN1CCN(CCC2CC[NH2+]CC2)CC1=O ZINC000157616966 385235056 /nfs/dbraw/zinc/23/50/56/385235056.db2.gz JSAJTICPRFLTAN-UHFFFAOYSA-N 2 0 225.336 0.150 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000157641397 385238335 /nfs/dbraw/zinc/23/83/35/385238335.db2.gz DOHIBUUHHBWMCR-TUAOUCFPSA-N 2 0 241.379 0.816 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)[C@H]2C1 ZINC000569124541 385240192 /nfs/dbraw/zinc/24/01/92/385240192.db2.gz SJMYKKQYBBYCML-WYUUTHIRSA-N 2 0 237.347 0.276 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000647081165 385240659 /nfs/dbraw/zinc/24/06/59/385240659.db2.gz MLZGNXQIOCLVRA-WDEREUQCSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000227811202 385247179 /nfs/dbraw/zinc/24/71/79/385247179.db2.gz XBJDOLQEDCXNHU-QJPTWQEYSA-N 2 0 237.347 0.420 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H](C)C[NH3+] ZINC000308885463 385250237 /nfs/dbraw/zinc/25/02/37/385250237.db2.gz VRXBGXWTLGDBEB-BDAKNGLRSA-N 2 0 201.314 0.071 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000647648877 385250494 /nfs/dbraw/zinc/25/04/94/385250494.db2.gz RUZJJSCVZSKPFX-AXFHLTTASA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H]([NH3+])C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000157931753 385314643 /nfs/dbraw/zinc/31/46/43/385314643.db2.gz AONHIQURNNQCSN-WHXUTIOJSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000569338157 385319891 /nfs/dbraw/zinc/31/98/91/385319891.db2.gz DQAHATUGPHAFKC-JTQLQIEISA-N 2 0 227.352 0.381 20 0 BCADRP [NH3+]CC1(C(=O)NC[C@H]2CCC[NH2+]2)CCCC1 ZINC000178733806 385320753 /nfs/dbraw/zinc/32/07/53/385320753.db2.gz FUPYGNLOUQINAO-SNVBAGLBSA-N 2 0 225.336 0.374 20 0 BCADRP C[NH+]1CCC(NC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000037887371 385321303 /nfs/dbraw/zinc/32/13/03/385321303.db2.gz ANYBVQLMLNVZLW-ZDUSSCGKSA-N 3 0 241.379 0.127 20 0 BCADRP [NH3+]C1(c2noc(C3CC[NH2+]CC3)n2)CCC1 ZINC000564959458 385261151 /nfs/dbraw/zinc/26/11/51/385261151.db2.gz AXHKJQMMDYDUMY-UHFFFAOYSA-N 2 0 222.292 0.875 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CCC2(CC[NH2+]2)CC1 ZINC000647095550 385265909 /nfs/dbraw/zinc/26/59/09/385265909.db2.gz YSIMHIKXUJEWRI-NSHDSACASA-N 2 0 237.347 0.483 20 0 BCADRP C[C@@H](O)CC[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000308902930 385275256 /nfs/dbraw/zinc/27/52/56/385275256.db2.gz JKSYKVNKAUJOBA-GHMZBOCLSA-N 2 0 200.326 0.689 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000164959275 385330402 /nfs/dbraw/zinc/33/04/02/385330402.db2.gz FIFDPUWAZYWIIA-PWSUYJOCSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000164992507 385334816 /nfs/dbraw/zinc/33/48/16/385334816.db2.gz YTJDKMQWBPUULC-UWVGGRQHSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC000165080923 385346909 /nfs/dbraw/zinc/34/69/09/385346909.db2.gz WXOZFLSCCOXXAC-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](C(=O)N1CC[NH2+]CC1)[C@H]([NH3+])c1ccccc1 ZINC000131664971 385351758 /nfs/dbraw/zinc/35/17/58/385351758.db2.gz YPWKSPOXLZSHKL-AAEUAGOBSA-N 2 0 247.342 0.754 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000131762101 385358210 /nfs/dbraw/zinc/35/82/10/385358210.db2.gz PXDAWYOGMIMZEK-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178406387 385366582 /nfs/dbraw/zinc/36/65/82/385366582.db2.gz GZQSHSCCIZROTM-STQMWFEESA-N 2 0 247.342 0.425 20 0 BCADRP CCN(C)C(=O)CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000179149088 385368533 /nfs/dbraw/zinc/36/85/33/385368533.db2.gz JSUDFTXQTLKFAK-QJPTWQEYSA-N 2 0 241.379 0.783 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000644080411 385424361 /nfs/dbraw/zinc/42/43/61/385424361.db2.gz MEXZVDQULNMGTK-VHSXEESVSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CC2(C)C)[C@@H]1C[NH3+] ZINC000644063460 385412170 /nfs/dbraw/zinc/41/21/70/385412170.db2.gz AHMACTRBJBUPMN-GMTAPVOTSA-N 2 0 239.363 0.570 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000644065952 385413392 /nfs/dbraw/zinc/41/33/92/385413392.db2.gz ZEWGQWVQNATJAY-HBNTYKKESA-N 2 0 239.363 0.618 20 0 BCADRP CO[C@@H](C)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182377391 385444549 /nfs/dbraw/zinc/44/45/49/385444549.db2.gz WIOBOVKOYYHALU-ZDUSSCGKSA-N 2 0 243.395 0.591 20 0 BCADRP CC(C)[C@H](C(=O)NCC[NH2+]C1CC1)[C@H](C)[NH3+] ZINC000644083987 385434072 /nfs/dbraw/zinc/43/40/72/385434072.db2.gz YFYJDJJRRSOTLV-ONGXEEELSA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)[C@@H](C(=O)NCC[NH2+]C1CC1)[C@H](C)[NH3+] ZINC000644083984 385434115 /nfs/dbraw/zinc/43/41/15/385434115.db2.gz YFYJDJJRRSOTLV-GXSJLCMTSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@H]1[NH2+]CC1(C)C)C1CC1 ZINC000644087810 385436865 /nfs/dbraw/zinc/43/68/65/385436865.db2.gz WJHSOVBEARKNMX-BXKDBHETSA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364583428 385479394 /nfs/dbraw/zinc/47/93/94/385479394.db2.gz VJKNIWRTMJBAKI-WXHSDQCUSA-N 2 0 239.363 0.476 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000364648192 385484358 /nfs/dbraw/zinc/48/43/58/385484358.db2.gz REOQVJLIUQHQRX-GFCCVEGCSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000364470338 385461733 /nfs/dbraw/zinc/46/17/33/385461733.db2.gz WNKYUMSASUGYQE-MNOVXSKESA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[N@H+](C)CC1 ZINC000335662921 385463085 /nfs/dbraw/zinc/46/30/85/385463085.db2.gz LUNQJMKHUOGWLK-JTQLQIEISA-N 2 0 225.336 0.291 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000257750500 385496138 /nfs/dbraw/zinc/49/61/38/385496138.db2.gz CTWXAIIZKVRWEC-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000257770250 385497873 /nfs/dbraw/zinc/49/78/73/385497873.db2.gz KMQFBXDCJFBXEU-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000309248637 385499017 /nfs/dbraw/zinc/49/90/17/385499017.db2.gz DEZBGONPVRBWSL-VIFPVBQESA-N 2 0 213.325 0.215 20 0 BCADRP C[C@]1(CNC(=O)[C@@H]2CCCC[NH2+]2)CCC[NH2+]C1 ZINC000336560479 385504739 /nfs/dbraw/zinc/50/47/39/385504739.db2.gz PJXFOOVFIBEHFS-AAEUAGOBSA-N 2 0 239.363 0.634 20 0 BCADRP C[NH+](C)CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000106363711 385506133 /nfs/dbraw/zinc/50/61/33/385506133.db2.gz XDKBYTNDIUODCN-SNVBAGLBSA-N 2 0 213.325 0.101 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000106364053 385506491 /nfs/dbraw/zinc/50/64/91/385506491.db2.gz AZTRFRLKLYITQQ-LBPRGKRZSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@]1(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC[NH2+]C1 ZINC000644144898 385536672 /nfs/dbraw/zinc/53/66/72/385536672.db2.gz QRPHVIHUMVDATH-CMPLNLGQSA-N 2 0 237.347 0.244 20 0 BCADRP Cc1noc(CN2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000228205887 385538886 /nfs/dbraw/zinc/53/88/86/385538886.db2.gz CLHUPXHZCQRRCE-CBAPKCEASA-N 2 0 210.281 0.547 20 0 BCADRP CCC[NH+]1CCC([NH2+]C[C@]2(O)CCOC2)CC1 ZINC000183391102 385539869 /nfs/dbraw/zinc/53/98/69/385539869.db2.gz GMCRUYGLKASANF-CYBMUJFWSA-N 2 0 242.363 0.602 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000644142161 385525950 /nfs/dbraw/zinc/52/59/50/385525950.db2.gz DMRWPVCRGZNCCK-NAKRPEOUSA-N 2 0 243.326 0.191 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000364991151 385557237 /nfs/dbraw/zinc/55/72/37/385557237.db2.gz YFSZXVXATLVWDQ-TUAOUCFPSA-N 2 0 239.363 0.522 20 0 BCADRP COC(=O)CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000309381421 385558749 /nfs/dbraw/zinc/55/87/49/385558749.db2.gz RODXZURHJPLDEI-DCAQKATOSA-N 2 0 226.320 0.609 20 0 BCADRP CC[N@H+](CCNC(=O)C[C@@H](C)[NH3+])C(C)C ZINC000309471534 385600595 /nfs/dbraw/zinc/60/05/95/385600595.db2.gz RBBDFKFSKXUWKE-SNVBAGLBSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@@H]([NH3+])C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000309419950 385579567 /nfs/dbraw/zinc/57/95/67/385579567.db2.gz JSRPWSHJEHBYNT-HTQZYQBOSA-N 2 0 207.277 0.992 20 0 BCADRP CC[C@]1(C(=O)NCC[C@H](C)[NH3+])CCC[NH2+]1 ZINC000184074411 385584232 /nfs/dbraw/zinc/58/42/32/385584232.db2.gz XLBUWFBQSHUONK-GXSJLCMTSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@]1(C[NH3+])CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000309447300 385586574 /nfs/dbraw/zinc/58/65/74/385586574.db2.gz LRKFNSVDEWDSPL-GFCCVEGCSA-N 3 0 211.353 0.657 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000309455644 385588268 /nfs/dbraw/zinc/58/82/68/385588268.db2.gz NPGSRABAVLCKOQ-QXEWZRGKSA-N 2 0 211.309 0.064 20 0 BCADRP C[NH+](C)C/C=C/C(=O)NCC1([NH+](C)C)CC1 ZINC000493655544 385589711 /nfs/dbraw/zinc/58/97/11/385589711.db2.gz GQFAQBMUGLGHBO-AATRIKPKSA-N 2 0 225.336 0.315 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000353133898 385592948 /nfs/dbraw/zinc/59/29/48/385592948.db2.gz UVPXJUGNCKOGFZ-IJLUTSLNSA-N 2 0 241.379 0.720 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000336680835 385633943 /nfs/dbraw/zinc/63/39/43/385633943.db2.gz RIGGCOQNXYVBMI-ONGXEEELSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000647711452 385613541 /nfs/dbraw/zinc/61/35/41/385613541.db2.gz USFGDSBQEXNYRO-BDAKNGLRSA-N 2 0 247.289 0.052 20 0 BCADRP C[C@@H](CNC(=O)CN(C)C)[N@@H+]1CCCC[C@H]1C ZINC000340073796 385637388 /nfs/dbraw/zinc/63/73/88/385637388.db2.gz OJEDVILVKPYPCB-NEPJUHHUSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C[NH2+]C1CC1 ZINC000182297001 385644310 /nfs/dbraw/zinc/64/43/10/385644310.db2.gz NVFUAVBVSMXLGC-PWSUYJOCSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000647724542 385656849 /nfs/dbraw/zinc/65/68/49/385656849.db2.gz ROPDXXPOCKJGJC-HGCLJGPKSA-N 2 0 237.347 0.241 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000309522157 385659551 /nfs/dbraw/zinc/65/95/51/385659551.db2.gz BWDMJSWQSZNVGQ-NXEZZACHSA-N 2 0 211.309 0.078 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000335465970 385683581 /nfs/dbraw/zinc/68/35/81/385683581.db2.gz YHJGOSFYUSVIKN-UHFFFAOYSA-N 2 0 225.336 0.278 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC[C@@H]1CCC[NH2+]C1 ZINC000414856753 385717572 /nfs/dbraw/zinc/71/75/72/385717572.db2.gz ZLBDXJJYSBGFDQ-NEPJUHHUSA-N 3 0 213.369 0.949 20 0 BCADRP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647793417 385698315 /nfs/dbraw/zinc/69/83/15/385698315.db2.gz XKBDRKUBTFILPI-FDYHWXHSSA-N 2 0 226.364 0.981 20 0 BCADRP CC[NH+](CC)CC(=O)NC1(C[NH+](C)C)CCC1 ZINC000337581299 385717956 /nfs/dbraw/zinc/71/79/56/385717956.db2.gz BVQULWNVAVIXSK-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)CC[NH3+] ZINC000309594587 385718111 /nfs/dbraw/zinc/71/81/11/385718111.db2.gz HZYOOHBOFVHCSE-SECBINFHSA-N 2 0 201.314 0.180 20 0 BCADRP CC(C)C[C@@H](CN)[NH2+]CC1CC[NH2+]CC1 ZINC000414855918 385706867 /nfs/dbraw/zinc/70/68/67/385706867.db2.gz XXIDYTDVVLVYGA-LBPRGKRZSA-N 2 0 213.369 0.949 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC2CCC([NH3+])CC2)CC[N@@H+]1C ZINC000647727136 385707635 /nfs/dbraw/zinc/70/76/35/385707635.db2.gz MFHHXKRFVHGIOZ-HBIQZDMRSA-N 2 0 239.363 0.713 20 0 BCADRP C[NH+]1CCC(NC(=O)NCC[NH+]2CCC2)CC1 ZINC000337632949 385729448 /nfs/dbraw/zinc/72/94/48/385729448.db2.gz ZMVRXWUMCZMEOC-UHFFFAOYSA-N 2 0 240.351 0.086 20 0 BCADRP C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)C(N)=O ZINC000116396180 385730059 /nfs/dbraw/zinc/73/00/59/385730059.db2.gz PICUKZSBPFVEQU-ZJUUUORDSA-N 2 0 229.368 0.816 20 0 BCADRP COC[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647793814 385731955 /nfs/dbraw/zinc/73/19/55/385731955.db2.gz JFVDPBIYKOISHV-DDHJBXDOSA-N 2 0 212.337 0.999 20 0 BCADRP COC[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647793817 385732114 /nfs/dbraw/zinc/73/21/14/385732114.db2.gz JFVDPBIYKOISHV-WRWGMCAJSA-N 2 0 212.337 0.999 20 0 BCADRP CC[NH+](CC)CC(=O)NC(C)(C)CCC[NH3+] ZINC000340133454 385736714 /nfs/dbraw/zinc/73/67/14/385736714.db2.gz BJPMQFASTDSRTL-UHFFFAOYSA-N 2 0 229.368 0.962 20 0 BCADRP [NH3+]CCOc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000183237558 385743697 /nfs/dbraw/zinc/74/36/97/385743697.db2.gz UKZSVJXAUPRQAD-GFCCVEGCSA-N 2 0 249.314 0.715 20 0 BCADRP C[NH2+]CCC[NH2+]Cc1ccc2c(c1)nnn2C ZINC000414859542 385743825 /nfs/dbraw/zinc/74/38/25/385743825.db2.gz MYVYYFZGJZLTKF-UHFFFAOYSA-N 2 0 233.319 0.667 20 0 BCADRP CC(C)(C)[NH2+]CCNC[C@H]1CCC[NH2+]C1 ZINC000414860483 385746351 /nfs/dbraw/zinc/74/63/51/385746351.db2.gz VQLXFNNURNZCIH-NSHDSACASA-N 2 0 213.369 0.964 20 0 BCADRP CC[C@@H](Cn1cncn1)[NH2+]CCC[NH+](C)C ZINC000336742442 385757090 /nfs/dbraw/zinc/75/70/90/385757090.db2.gz SBYLPDVTNMQVOY-NSHDSACASA-N 2 0 225.340 0.598 20 0 BCADRP C[C@H]1CCC[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000414865379 385769496 /nfs/dbraw/zinc/76/94/96/385769496.db2.gz LCDKPOPCVITQAZ-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H](C)[NH3+])c1 ZINC000335241920 385724448 /nfs/dbraw/zinc/72/44/48/385724448.db2.gz RGVKBJQJHFUCMD-QMMMGPOBSA-N 2 0 207.277 0.739 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC(C)(C)C[NH3+])CC[N@@H+]1C ZINC000647764554 385799122 /nfs/dbraw/zinc/79/91/22/385799122.db2.gz FBAAWQKRHMVQHK-RKDXNWHRSA-N 2 0 213.325 0.180 20 0 BCADRP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647799279 385799299 /nfs/dbraw/zinc/79/92/99/385799299.db2.gz CFLOWEOWCUYTQV-OOCWMUITSA-N 2 0 210.321 0.487 20 0 BCADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)NC ZINC000647799421 385799386 /nfs/dbraw/zinc/79/93/86/385799386.db2.gz GHNSTMBZUDABHI-KXNHARMFSA-N 2 0 239.363 0.489 20 0 BCADRP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647800078 385803161 /nfs/dbraw/zinc/80/31/61/385803161.db2.gz ZJRKDMAODROWND-SYLRKERUSA-N 2 0 224.348 0.878 20 0 BCADRP Cn1cnc(CCC[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000647801386 385808906 /nfs/dbraw/zinc/80/89/06/385808906.db2.gz UJIUQCASSQZIOG-MNOVXSKESA-N 2 0 237.351 0.465 20 0 BCADRP CN(C(=O)[C@]12C[C@H]1CC[NH2+]2)[C@@H]1CCC[NH2+]CC1 ZINC000521425697 385811678 /nfs/dbraw/zinc/81/16/78/385811678.db2.gz OZFAKZYWNRZGRM-WZRBSPASSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186899028 385812136 /nfs/dbraw/zinc/81/21/36/385812136.db2.gz JILBOESVBQFCOV-AEJSXWLSSA-N 2 0 213.325 0.084 20 0 BCADRP C[N@H+](CCCc1ccccc1)C[C@H](O)C[NH3+] ZINC000336737823 385824222 /nfs/dbraw/zinc/82/42/22/385824222.db2.gz JSUFIRCMTPXYQS-CYBMUJFWSA-N 2 0 222.332 0.871 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000261806674 385829902 /nfs/dbraw/zinc/82/99/02/385829902.db2.gz SICXLMUCBNKQKX-ZWNOBZJWSA-N 2 0 247.342 0.425 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000340184667 385830883 /nfs/dbraw/zinc/83/08/83/385830883.db2.gz HNTYYXNKAPTEGH-UWVGGRQHSA-N 2 0 229.368 0.816 20 0 BCADRP CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647802627 385836097 /nfs/dbraw/zinc/83/60/97/385836097.db2.gz QHUMLYMKUFNDAR-ZOLYEBIHSA-N 2 0 240.347 0.378 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC[N@@H+]1C ZINC000647805182 385843421 /nfs/dbraw/zinc/84/34/21/385843421.db2.gz BCHNQEJPSJRCSI-NNYUYHANSA-N 2 0 239.363 0.535 20 0 BCADRP CC[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC000516649534 385846006 /nfs/dbraw/zinc/84/60/06/385846006.db2.gz RETVUKBIQBGITL-UHFFFAOYSA-N 2 0 239.363 0.731 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C[C@H](C)[NH3+] ZINC000638115909 385852482 /nfs/dbraw/zinc/85/24/82/385852482.db2.gz KHEYADZPFRTNEE-WDEREUQCSA-N 2 0 227.352 0.714 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C[C@H](C)[NH3+] ZINC000638115908 385852725 /nfs/dbraw/zinc/85/27/25/385852725.db2.gz KHEYADZPFRTNEE-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000647807001 385854270 /nfs/dbraw/zinc/85/42/70/385854270.db2.gz GKYNNXWTERHGPT-GFCCVEGCSA-N 2 0 227.352 0.748 20 0 BCADRP Cc1nc(CN2CCC[C@H](CC[NH3+])C2)no1 ZINC000069724116 385854645 /nfs/dbraw/zinc/85/46/45/385854645.db2.gz DOUVGHYABGPQFL-SNVBAGLBSA-N 2 0 224.308 0.939 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000353197662 385789787 /nfs/dbraw/zinc/78/97/87/385789787.db2.gz YWVSMDAZFMWSOX-GHMZBOCLSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CCCC[C@H]1O ZINC000518781837 385791144 /nfs/dbraw/zinc/79/11/44/385791144.db2.gz YYGLRWKLCCAGJF-WHOHXGKFSA-N 2 0 212.337 0.959 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CCCC[C@H]1O ZINC000518781835 385792460 /nfs/dbraw/zinc/79/24/60/385792460.db2.gz YYGLRWKLCCAGJF-FIQHERPVSA-N 2 0 212.337 0.959 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)CC1CC[NH2+]CC1 ZINC000647839813 385887434 /nfs/dbraw/zinc/88/74/34/385887434.db2.gz FWRVVGRIKFCJPJ-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000335036962 385928646 /nfs/dbraw/zinc/92/86/46/385928646.db2.gz XYUWOFJQELNSHA-LLVKDONJSA-N 2 0 225.336 0.276 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000647841428 385888836 /nfs/dbraw/zinc/88/88/36/385888836.db2.gz SFWKLMRBVVSMBD-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)c2ccc(C[NH3+])cc2)[C@H]1C ZINC000262827702 385891600 /nfs/dbraw/zinc/89/16/00/385891600.db2.gz UJJTXRYHJQRMBA-MNOVXSKESA-N 2 0 247.342 0.968 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000647843195 385893554 /nfs/dbraw/zinc/89/35/54/385893554.db2.gz GQBZNUAJRODNIM-SSDOTTSWSA-N 2 0 235.278 0.085 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000294789465 385895831 /nfs/dbraw/zinc/89/58/31/385895831.db2.gz OHVHFDHKIXMFKD-ZYHUDNBSSA-N 2 0 233.315 0.554 20 0 BCADRP CC(C)CN(C(=O)CN(C)CCC[NH3+])C1CC1 ZINC000647848118 385898605 /nfs/dbraw/zinc/89/86/05/385898605.db2.gz FHXJDPHEJPQGET-UHFFFAOYSA-N 2 0 241.379 0.914 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@H](C)[NH3+] ZINC000308918086 385908307 /nfs/dbraw/zinc/90/83/07/385908307.db2.gz BPXGSAGWUZCFJS-IUCAKERBSA-N 2 0 201.314 0.213 20 0 BCADRP [NH3+][C@@H](CC(F)F)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000336721353 385908340 /nfs/dbraw/zinc/90/83/40/385908340.db2.gz SOLDCGTVXPAENW-CBAPKCEASA-N 2 0 247.289 0.322 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000336746185 385917085 /nfs/dbraw/zinc/91/70/85/385917085.db2.gz RECZLESZQVFPKN-AEJSXWLSSA-N 2 0 213.325 0.323 20 0 BCADRP CCOC(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])C1 ZINC000496566857 385929877 /nfs/dbraw/zinc/92/98/77/385929877.db2.gz FAKQGOKECPXPPU-AXFHLTTASA-N 2 0 241.335 0.687 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000294929956 385918369 /nfs/dbraw/zinc/91/83/69/385918369.db2.gz DCVCSFGHKQBHGR-NSHDSACASA-N 2 0 235.331 0.582 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639020713 385929933 /nfs/dbraw/zinc/92/99/33/385929933.db2.gz LIJJYSCTSMHASH-WOPDTQHZSA-N 2 0 239.363 0.585 20 0 BCADRP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC000414004923 385922487 /nfs/dbraw/zinc/92/24/87/385922487.db2.gz KTMNMIZCBJMQDJ-WOPDTQHZSA-N 2 0 239.363 0.395 20 0 BCADRP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000414004921 385922872 /nfs/dbraw/zinc/92/28/72/385922872.db2.gz KTMNMIZCBJMQDJ-SDDRHHMPSA-N 2 0 239.363 0.395 20 0 BCADRP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000414004922 385923047 /nfs/dbraw/zinc/92/30/47/385923047.db2.gz KTMNMIZCBJMQDJ-SRVKXCTJSA-N 2 0 239.363 0.395 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1CC[C@H](C[NH3+])C1 ZINC000647732621 385863735 /nfs/dbraw/zinc/86/37/35/385863735.db2.gz PTDWYNMIARBJHW-SNVBAGLBSA-N 2 0 227.352 0.559 20 0 BCADRP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000262603606 385864983 /nfs/dbraw/zinc/86/49/83/385864983.db2.gz ALEQNWMCWFPRLW-NEPJUHHUSA-N 2 0 233.315 0.554 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000647734671 385872622 /nfs/dbraw/zinc/87/26/22/385872622.db2.gz FWCMGSOJNLNTCF-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647826242 385874517 /nfs/dbraw/zinc/87/45/17/385874517.db2.gz KFUVRYPUMAKSDA-WGBDABJCSA-N 2 0 239.363 0.332 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000647767588 385881023 /nfs/dbraw/zinc/88/10/23/385881023.db2.gz UOKRXUOEDPALIR-XQHKEYJVSA-N 2 0 245.326 0.268 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000295149753 385977830 /nfs/dbraw/zinc/97/78/30/385977830.db2.gz JMABUWZXTCHZFG-JSGCOSHPSA-N 2 0 249.358 0.960 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000335021404 385980317 /nfs/dbraw/zinc/98/03/17/385980317.db2.gz RIWOLYDHZRKNQS-SNVBAGLBSA-N 2 0 244.298 0.768 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000295167346 385980414 /nfs/dbraw/zinc/98/04/14/385980414.db2.gz LBBWVXNLTHRHFD-OLZOCXBDSA-N 2 0 247.342 0.410 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)c1c[nH+]ccc1N ZINC000295174386 385984402 /nfs/dbraw/zinc/98/44/02/385984402.db2.gz LVFMYILHCYTKOU-JTQLQIEISA-N 2 0 222.292 0.377 20 0 BCADRP C[C@@](C[NH3+])([NH2+]CCOC[C@H]1CCCO1)C1CC1 ZINC000647867941 385986306 /nfs/dbraw/zinc/98/63/06/385986306.db2.gz WNLVBEULPARIIM-OLZOCXBDSA-N 2 0 242.363 0.899 20 0 BCADRP C[C@@](C[NH3+])([NH2+]CCOC[C@@H]1CCCO1)C1CC1 ZINC000647867943 385986910 /nfs/dbraw/zinc/98/69/10/385986910.db2.gz WNLVBEULPARIIM-STQMWFEESA-N 2 0 242.363 0.899 20 0 BCADRP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000496566859 385931010 /nfs/dbraw/zinc/93/10/10/385931010.db2.gz FAKQGOKECPXPPU-GARJFASQSA-N 2 0 241.335 0.687 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000335038764 385931092 /nfs/dbraw/zinc/93/10/92/385931092.db2.gz ORESXGTUQHTWAA-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])C1 ZINC000496566860 385931608 /nfs/dbraw/zinc/93/16/08/385931608.db2.gz FAKQGOKECPXPPU-HBNTYKKESA-N 2 0 241.335 0.687 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000335041117 385933615 /nfs/dbraw/zinc/93/36/15/385933615.db2.gz ACHRVHYFPUKRMH-IUCAKERBSA-N 2 0 232.287 0.800 20 0 BCADRP CC[C@@H](C(=O)NCC[N@H+](C)C1CC1)[NH+](C)C ZINC000338269353 385934316 /nfs/dbraw/zinc/93/43/16/385934316.db2.gz CSVMASSHHGEPGW-NSHDSACASA-N 2 0 227.352 0.537 20 0 BCADRP Cn1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1=O ZINC000647982862 385937598 /nfs/dbraw/zinc/93/75/98/385937598.db2.gz ZTENERIJZUSVPR-UHFFFAOYSA-N 2 0 221.304 0.307 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)CC2(C[NH3+])CC2)[C@H]1C ZINC000335045139 385938022 /nfs/dbraw/zinc/93/80/22/385938022.db2.gz KTUWLCBVKCCYEX-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP COC(=O)c1ccc(C[NH2+]C[C@@H](C)C[NH3+])[nH]1 ZINC000414879455 385944821 /nfs/dbraw/zinc/94/48/21/385944821.db2.gz PHWVAWXCSHPIDT-QMMMGPOBSA-N 2 0 225.292 0.486 20 0 BCADRP CC1(C(=O)Nc2ccc(C[NH3+])cc2)C[NH2+]C1 ZINC000335049831 385947261 /nfs/dbraw/zinc/94/72/61/385947261.db2.gz YICBZKMVQWTXBT-UHFFFAOYSA-N 2 0 219.288 0.693 20 0 BCADRP CC1(C(=O)NCC2(C)CC[NH2+]CC2)C[NH2+]C1 ZINC000335056518 385956519 /nfs/dbraw/zinc/95/65/19/385956519.db2.gz MMRIILUGQSNJDL-UHFFFAOYSA-N 2 0 225.336 0.102 20 0 BCADRP COCC[NH2+]CCNC[C@H]([NH3+])CC(C)C ZINC000414879823 385958641 /nfs/dbraw/zinc/95/86/41/385958641.db2.gz IICCHMLZRDHBDO-LLVKDONJSA-N 2 0 217.357 0.185 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)C[C@H](C)[NH3+] ZINC000309100700 385958646 /nfs/dbraw/zinc/95/86/46/385958646.db2.gz FOKXPCZEDHKDPX-QMMMGPOBSA-N 2 0 201.314 0.357 20 0 BCADRP C1CCC([N@@H+]2CC[C@@H](N[C@@H]3CC[NH2+]C3)C2)C1 ZINC000335058164 385959109 /nfs/dbraw/zinc/95/91/09/385959109.db2.gz YPNSKDRDEDDUDI-VXGBXAGGSA-N 2 0 223.364 0.955 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000263226047 385959429 /nfs/dbraw/zinc/95/94/29/385959429.db2.gz CFWRVUHBXLWIDB-CHWSQXEVSA-N 2 0 247.342 0.930 20 0 BCADRP C[C@H](C[NH3+])NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000295082573 385960116 /nfs/dbraw/zinc/96/01/16/385960116.db2.gz IJHUQWPSGZMABX-SNVBAGLBSA-N 2 0 247.342 0.452 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000295072643 385960361 /nfs/dbraw/zinc/96/03/61/385960361.db2.gz HMWADAHRFQJFED-FOGDFJRCSA-N 2 0 235.331 0.786 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335059964 385961150 /nfs/dbraw/zinc/96/11/50/385961150.db2.gz GASDDPRONFLTRX-PWSUYJOCSA-N 2 0 247.342 0.759 20 0 BCADRP CC(C)[C@H]1CN(C(=O)CCC2C[NH2+]C2)CC[NH2+]1 ZINC000638196935 385965051 /nfs/dbraw/zinc/96/50/51/385965051.db2.gz RMZDPWSHRFFENJ-GFCCVEGCSA-N 2 0 239.363 0.442 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000647863872 385965352 /nfs/dbraw/zinc/96/53/52/385965352.db2.gz LYNHUJLSNVWKAJ-BBBLOLIVSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000111612043 385969125 /nfs/dbraw/zinc/96/91/25/385969125.db2.gz FDJVUESBGIHKLE-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000647865882 386000326 /nfs/dbraw/zinc/00/03/26/386000326.db2.gz WKQPLVWQHMUOMR-AVGNSLFASA-N 2 0 241.379 0.424 20 0 BCADRP c1n[nH]cc1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000309272823 386000623 /nfs/dbraw/zinc/00/06/23/386000623.db2.gz LLFPCMKGWZPZTO-VXGBXAGGSA-N 2 0 220.320 0.636 20 0 BCADRP CC[NH+](CC)CCCN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647865877 386000775 /nfs/dbraw/zinc/00/07/75/386000775.db2.gz WCFHYSCIFAQJIL-STQMWFEESA-N 2 0 243.395 0.766 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000295267826 386002919 /nfs/dbraw/zinc/00/29/19/386002919.db2.gz RVJZAKVSSCEXPX-VXGBXAGGSA-N 2 0 235.331 0.582 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@]1(CC)CCC[NH2+]1 ZINC000128679381 386006619 /nfs/dbraw/zinc/00/66/19/386006619.db2.gz PBBWUJNTUQDTPH-ZDUSSCGKSA-N 2 0 241.379 0.977 20 0 BCADRP CCC[NH+](CCC)CCCNC(=O)NCC[NH3+] ZINC000417467004 386056166 /nfs/dbraw/zinc/05/61/66/386056166.db2.gz LQCUFZFSZKJOMF-UHFFFAOYSA-N 2 0 244.383 0.756 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C[C@H](C)[NH3+])C1 ZINC000309518457 386014183 /nfs/dbraw/zinc/01/41/83/386014183.db2.gz ZKPMRCJYERBVAY-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)C[C@H](C)[NH3+])C1 ZINC000309518458 386015490 /nfs/dbraw/zinc/01/54/90/386015490.db2.gz ZKPMRCJYERBVAY-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925275 386018280 /nfs/dbraw/zinc/01/82/80/386018280.db2.gz MCCOTNQMTAFXIG-KXNHARMFSA-N 2 0 237.347 0.337 20 0 BCADRP [NH3+][C@H]1Cc2ccccc2N(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000335061292 386026292 /nfs/dbraw/zinc/02/62/92/386026292.db2.gz MEOXOGVLPCEQBT-RYUDHWBXSA-N 2 0 245.326 0.513 20 0 BCADRP C[C@@H]1CC2(CN1C(=O)C[NH+](C)C)CC[NH2+]CC2 ZINC000335073944 386037595 /nfs/dbraw/zinc/03/75/95/386037595.db2.gz RTMMORUEBJKAKK-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP COC(=O)c1cc(C[NH2+][C@H](C)CC[NH3+])c[nH]1 ZINC000414884323 386041652 /nfs/dbraw/zinc/04/16/52/386041652.db2.gz NRFCHLUAFPTKLA-MRVPVSSYSA-N 2 0 225.292 0.628 20 0 BCADRP c1ncc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1 ZINC000112839225 386119684 /nfs/dbraw/zinc/11/96/84/386119684.db2.gz FSEUEYBSKNLKPU-CHWSQXEVSA-N 2 0 248.330 0.429 20 0 BCADRP C[C@H](C[NH3+])C(=O)NCc1ccccc1C[NH+](C)C ZINC000054344719 386119925 /nfs/dbraw/zinc/11/99/25/386119925.db2.gz FXJJGDARPZEPNH-LLVKDONJSA-N 2 0 249.358 0.959 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000054342057 386120211 /nfs/dbraw/zinc/12/02/11/386120211.db2.gz XFJLBLFRNBUMGV-NEPJUHHUSA-N 2 0 239.363 0.668 20 0 BCADRP C[NH2+]Cc1cccc(NC(=O)[C@H]2C[NH2+]CCO2)c1 ZINC000237232461 259681545 /nfs/dbraw/zinc/68/15/45/259681545.db2.gz GNBFQQDRMXJCRY-GFCCVEGCSA-N 2 0 249.314 0.333 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000310083673 386084426 /nfs/dbraw/zinc/08/44/26/386084426.db2.gz FKSUMFAVRIDKOA-CMPLNLGQSA-N 2 0 239.363 0.666 20 0 BCADRP CC[N@@H+]1CC[C@H](NCC[NH2+]CCOC)[C@H](C)C1 ZINC000414887612 386091008 /nfs/dbraw/zinc/09/10/08/386091008.db2.gz QSFBLTPZUJRKRE-OLZOCXBDSA-N 2 0 243.395 0.542 20 0 BCADRP C[C@@H]1C[C@@H](C[N@H+](C)CC(=O)NC2CC2)CC[NH2+]1 ZINC000414674207 386145787 /nfs/dbraw/zinc/14/57/87/386145787.db2.gz DHYQIGNQUGHCKR-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1C[C@H](C[N@H+](C)CC(=O)NC2CC2)CC[NH2+]1 ZINC000414674212 386146965 /nfs/dbraw/zinc/14/69/65/386146965.db2.gz DHYQIGNQUGHCKR-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414676070 386148596 /nfs/dbraw/zinc/14/85/96/386148596.db2.gz USCMLDZZFVVJBL-LBPRGKRZSA-N 2 0 241.379 0.916 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)C1CC[NH+](C)CC1 ZINC000346114510 386153240 /nfs/dbraw/zinc/15/32/40/386153240.db2.gz BPUVRLWKIUKRQE-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335274548 386153577 /nfs/dbraw/zinc/15/35/77/386153577.db2.gz BJRPGDHDBUETKV-UWVGGRQHSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CCN1 ZINC000414693956 386190175 /nfs/dbraw/zinc/19/01/75/386190175.db2.gz SEYJFWKIFNNAFW-SDDRHHMPSA-N 2 0 211.353 0.668 20 0 BCADRP CCOC(=O)C[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414678698 386159098 /nfs/dbraw/zinc/15/90/98/386159098.db2.gz QVJZXZZVIPSHRN-GHMZBOCLSA-N 2 0 228.336 0.869 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CCN1 ZINC000414693958 386190245 /nfs/dbraw/zinc/19/02/45/386190245.db2.gz SEYJFWKIFNNAFW-TUAOUCFPSA-N 2 0 211.353 0.668 20 0 BCADRP C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000346181843 386160945 /nfs/dbraw/zinc/16/09/45/386160945.db2.gz BVNMDPATBBTYAA-UTUOFQBUSA-N 2 0 241.379 0.783 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)C ZINC000346141777 386164758 /nfs/dbraw/zinc/16/47/58/386164758.db2.gz RJYATBBAACWZIA-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCNc1ccccn1 ZINC000296374834 386168906 /nfs/dbraw/zinc/16/89/06/386168906.db2.gz KETPOKRANJRPCA-SNVBAGLBSA-N 2 0 248.330 0.750 20 0 BCADRP CC[N@@H+](CC(=O)OC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414686445 386174111 /nfs/dbraw/zinc/17/41/11/386174111.db2.gz ASKIFPKYIXTLNG-QWRGUYRKSA-N 2 0 228.336 0.869 20 0 BCADRP C[C@H](C[NH+](C)C)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000346229975 386176350 /nfs/dbraw/zinc/17/63/50/386176350.db2.gz SUGRZBMCZUUYGI-IJLUTSLNSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)CCn2ccnc2)C[NH2+]1 ZINC000310390214 386179131 /nfs/dbraw/zinc/17/91/31/386179131.db2.gz KWMJZTAVNAIKDF-WDEREUQCSA-N 2 0 236.319 0.530 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CCNC(=O)[C@H]2C)CC[NH2+]1 ZINC000414691131 386184549 /nfs/dbraw/zinc/18/45/49/386184549.db2.gz JASGFVALVCYLFH-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP CN(CCCC1CC[NH2+]CC1)C1C[NH2+]C1 ZINC000647969348 386185535 /nfs/dbraw/zinc/18/55/35/386185535.db2.gz OGOZSJXOCHJIAI-UHFFFAOYSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237355981 259683065 /nfs/dbraw/zinc/68/30/65/259683065.db2.gz SSYWLDISWINQSO-GWCFXTLKSA-N 2 0 247.342 0.412 20 0 BCADRP C[C@H](NC(=O)C1(C)C[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000335219561 386136825 /nfs/dbraw/zinc/13/68/25/386136825.db2.gz PTUFAPWOSSKCDS-VHSXEESVSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@H]1C[C@@H](C[N@H+](C)CC(C)(CO)CO)CC[NH2+]1 ZINC000414697230 386202499 /nfs/dbraw/zinc/20/24/99/386202499.db2.gz IHDABBOUCXOPNV-RYUDHWBXSA-N 2 0 244.379 0.297 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000132010333 386220305 /nfs/dbraw/zinc/22/03/05/386220305.db2.gz PDZLQQIAKZMFNP-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP CNC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000347034469 386223661 /nfs/dbraw/zinc/22/36/61/386223661.db2.gz GBMYEQVVJNZOSC-LBPRGKRZSA-N 2 0 247.342 0.827 20 0 BCADRP [NH3+]CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000414708539 386225371 /nfs/dbraw/zinc/22/53/71/386225371.db2.gz QPOQNWAZYXGYHF-GFCCVEGCSA-N 2 0 239.363 0.573 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000131889329 386226300 /nfs/dbraw/zinc/22/63/00/386226300.db2.gz BNAPEJQZMBCCDA-MNOVXSKESA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000131931023 386227312 /nfs/dbraw/zinc/22/73/12/386227312.db2.gz JKVBGCSWPZUJGW-ZYHUDNBSSA-N 2 0 227.352 0.476 20 0 BCADRP O=C1CN(C[C@@H]2CC[NH2+]C2)[C@@H]2CCCC[C@H]2N1 ZINC000647882943 386234277 /nfs/dbraw/zinc/23/42/77/386234277.db2.gz RECOZQZJSFMGFI-IJLUTSLNSA-N 2 0 237.347 0.339 20 0 BCADRP NC(=O)CC[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647882721 386235971 /nfs/dbraw/zinc/23/59/71/386235971.db2.gz VNBPFCWZYDOAEH-RYUDHWBXSA-N 2 0 239.363 0.573 20 0 BCADRP Cn1nnc2cc(C[N@@H+]3CC[C@H](C[NH3+])C3)ccc21 ZINC000347125311 386237084 /nfs/dbraw/zinc/23/70/84/386237084.db2.gz YBGGUGSFIFMYFG-LLVKDONJSA-N 2 0 245.330 0.749 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@]2(C)CC[NH2+]C2)CC[N@@H+]1C ZINC000132938614 386260785 /nfs/dbraw/zinc/26/07/85/386260785.db2.gz XFKIVMXRIBYQGM-NQBHXWOUSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000638358030 386253832 /nfs/dbraw/zinc/25/38/32/386253832.db2.gz XVKQOAHKOUMNLS-KKOKHZNYSA-N 2 0 241.379 0.816 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000638358033 386254196 /nfs/dbraw/zinc/25/41/96/386254196.db2.gz XVKQOAHKOUMNLS-YFKTTZPYSA-N 2 0 241.379 0.816 20 0 BCADRP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH3+] ZINC000414696024 386195902 /nfs/dbraw/zinc/19/59/02/386195902.db2.gz VEKLUAWRQGCTEW-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCC[NH3+] ZINC000414696020 386196613 /nfs/dbraw/zinc/19/66/13/386196613.db2.gz VEKLUAWRQGCTEW-LLVKDONJSA-N 2 0 227.352 0.668 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN([C@H]2COC[C@@H]2O)C1 ZINC000340283113 386196752 /nfs/dbraw/zinc/19/67/52/386196752.db2.gz XBJBTDCHVGGZGF-SRVKXCTJSA-N 2 0 228.336 0.020 20 0 BCADRP CC[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414695140 386198079 /nfs/dbraw/zinc/19/80/79/386198079.db2.gz OEBDJPSKICXIGC-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP COC(=O)[C@H](C)C[N@H+](CCC[NH3+])C1CC1 ZINC000414698377 386198858 /nfs/dbraw/zinc/19/88/58/386198858.db2.gz DEJADVCXQNVNKS-SECBINFHSA-N 2 0 214.309 0.609 20 0 BCADRP CC(C)C[C@H]([NH3+])CN[C@@H]1C[NH2+]CCC1(F)F ZINC000414998415 386200171 /nfs/dbraw/zinc/20/01/71/386200171.db2.gz IZANJZWUYRDNFI-VHSXEESVSA-N 2 0 235.322 0.947 20 0 BCADRP C[C@@]1(CNC[C@@]2(C)CCC[NH2+]C2)CC[NH2+]C1 ZINC000414900871 386290018 /nfs/dbraw/zinc/29/00/18/386290018.db2.gz FIUYZBLTJDBIIX-QWHCGFSZSA-N 2 0 225.380 0.965 20 0 BCADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCn1ccnc1 ZINC000183174577 386291461 /nfs/dbraw/zinc/29/14/61/386291461.db2.gz IRECTELTSFKURD-JTQLQIEISA-N 2 0 222.292 0.223 20 0 BCADRP [NH3+]CC[C@H]1CCC[N@H+](CC2(C[NH3+])CC2)C1 ZINC000414732886 386292830 /nfs/dbraw/zinc/29/28/30/386292830.db2.gz IUVSVAWMPMDIDE-LLVKDONJSA-N 2 0 211.353 0.786 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000091392362 386297774 /nfs/dbraw/zinc/29/77/74/386297774.db2.gz MGFDRUGHJMCCMQ-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H](O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000339205144 386301445 /nfs/dbraw/zinc/30/14/45/386301445.db2.gz NFEBMCAOKXRWEL-LBPRGKRZSA-N 2 0 231.384 0.183 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C(=O)NCC[C@H]2C)CC[NH2+]1 ZINC000414736428 386302049 /nfs/dbraw/zinc/30/20/49/386302049.db2.gz HTSLFFVAIDQSHP-KKOKHZNYSA-N 2 0 239.363 0.489 20 0 BCADRP [NH3+]CC1(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000335267125 386306217 /nfs/dbraw/zinc/30/62/17/386306217.db2.gz AXRBYSZDBVQAOC-MNOVXSKESA-N 2 0 209.337 0.552 20 0 BCADRP CC[N@H+](C)[C@@H](C(=O)NCC[NH3+])c1ccccc1 ZINC000236885579 386323420 /nfs/dbraw/zinc/32/34/20/386323420.db2.gz BXLNMTYMOHNKGA-GFCCVEGCSA-N 2 0 235.331 0.754 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1([NH+](C)C)CC1 ZINC000416308441 386269307 /nfs/dbraw/zinc/26/93/07/386269307.db2.gz QPQMTSFRJVEXPT-QWRGUYRKSA-N 2 0 239.363 0.395 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000238063602 259685762 /nfs/dbraw/zinc/68/57/62/259685762.db2.gz AKJAYUXXRGIPOY-SDDRHHMPSA-N 2 0 239.363 0.701 20 0 BCADRP COC[C@H]1CCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000339290054 386342816 /nfs/dbraw/zinc/34/28/16/386342816.db2.gz HSVKYEVIHCUWRB-VXGBXAGGSA-N 2 0 228.336 0.162 20 0 BCADRP CC(C)C[C@H]1C(=O)NCCN1C[C@@H]1CC[NH2+]C1 ZINC000647989182 386348473 /nfs/dbraw/zinc/34/84/73/386348473.db2.gz ULEMWXARCIXYMJ-NEPJUHHUSA-N 2 0 239.363 0.442 20 0 BCADRP C1CC[C@H](N[C@H]2CCC[NH2+]CC2)C[NH2+]C1 ZINC000335269930 386353607 /nfs/dbraw/zinc/35/36/07/386353607.db2.gz LAGXQZWVISDQHK-RYUDHWBXSA-N 2 0 211.353 0.860 20 0 BCADRP c1ncn([C@@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000647989537 386358497 /nfs/dbraw/zinc/35/84/97/386358497.db2.gz BALKPZYHIPNPCA-CYBMUJFWSA-N 2 0 249.362 0.915 20 0 BCADRP COCCOC[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647890059 386361251 /nfs/dbraw/zinc/36/12/51/386361251.db2.gz KOPCVVXEGZJTMV-CHWSQXEVSA-N 2 0 242.363 0.581 20 0 BCADRP C[C@@H](C[C@H]1COCCN1)[NH2+]CCC[NH+](C)C ZINC000166088082 386365787 /nfs/dbraw/zinc/36/57/87/386365787.db2.gz MUAZWAJHSFOMFR-RYUDHWBXSA-N 3 0 229.368 0.295 20 0 BCADRP NC(=O)C[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647890089 386367433 /nfs/dbraw/zinc/36/74/33/386367433.db2.gz PJYUTMWPUIFELU-GHMZBOCLSA-N 2 0 225.336 0.183 20 0 BCADRP CC[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000637808585 386372158 /nfs/dbraw/zinc/37/21/58/386372158.db2.gz BZTNHHTYCNKVSW-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP CC[NH+](CC)CCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000416785375 386380960 /nfs/dbraw/zinc/38/09/60/386380960.db2.gz AZPDGDMZMQANTD-NXEZZACHSA-N 2 0 230.356 0.363 20 0 BCADRP CC[NH+](CC)CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000416785378 386381193 /nfs/dbraw/zinc/38/11/93/386381193.db2.gz AZPDGDMZMQANTD-ZJUUUORDSA-N 2 0 230.356 0.363 20 0 BCADRP CC[NH+](CC)CCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000416789693 386383086 /nfs/dbraw/zinc/38/30/86/386383086.db2.gz KYKIERGZFUARFC-SNVBAGLBSA-N 2 0 230.356 0.317 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335274550 386330781 /nfs/dbraw/zinc/33/07/81/386330781.db2.gz BJRPGDHDBUETKV-VHSXEESVSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000414753219 386385956 /nfs/dbraw/zinc/38/59/56/386385956.db2.gz LXRPECMORBYHJA-PWSUYJOCSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC[NH3+] ZINC000417541560 386333855 /nfs/dbraw/zinc/33/38/55/386333855.db2.gz YVGJNMKBTXSFSU-PHIMTYICSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H]([NH3+])C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335275700 386335362 /nfs/dbraw/zinc/33/53/62/386335362.db2.gz CUHODPOUFLMUKJ-MNOVXSKESA-N 2 0 211.353 0.798 20 0 BCADRP C[C@H]([NH2+]CCOCC[NH3+])c1ccccn1 ZINC000647992096 386440463 /nfs/dbraw/zinc/44/04/63/386440463.db2.gz FJKMGDKPIYNLBC-JTQLQIEISA-N 2 0 209.293 0.708 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C1(C)C[NH2+]C1 ZINC000399188420 386442621 /nfs/dbraw/zinc/44/26/21/386442621.db2.gz HKDKVHLQNQIMPO-JTQLQIEISA-N 2 0 227.352 0.442 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000417609970 386447265 /nfs/dbraw/zinc/44/72/65/386447265.db2.gz MKWDNCJBXDOLBW-LLVKDONJSA-N 2 0 244.383 0.707 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)NCCC[NH2+]C ZINC000417613722 386450353 /nfs/dbraw/zinc/45/03/53/386450353.db2.gz UBIZVQGBBGKNJM-UHFFFAOYSA-N 2 0 244.383 0.627 20 0 BCADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000414753217 386387723 /nfs/dbraw/zinc/38/77/23/386387723.db2.gz LXRPECMORBYHJA-JQWIXIFHSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@@H](NC(=O)CC[NH3+])C(C)(C)C[NH+](C)C ZINC000237561430 386391012 /nfs/dbraw/zinc/39/10/12/386391012.db2.gz YVMZQYNALTUEBL-SECBINFHSA-N 2 0 215.341 0.428 20 0 BCADRP CC[NH+](CC)CCNC(=O)N[C@@H](C)CCC[NH3+] ZINC000416806219 386396415 /nfs/dbraw/zinc/39/64/15/386396415.db2.gz YZHWOEUCQQEJQW-NSHDSACASA-N 2 0 244.383 0.755 20 0 BCADRP CC[NH+](CC)CCNC(=O)N[C@H](C)CCC[NH3+] ZINC000416806218 386397140 /nfs/dbraw/zinc/39/71/40/386397140.db2.gz YZHWOEUCQQEJQW-LLVKDONJSA-N 2 0 244.383 0.755 20 0 BCADRP CC[NH+](CC)CCCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000416810161 386398438 /nfs/dbraw/zinc/39/84/38/386398438.db2.gz IYGBGQUXCWROCQ-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP CC[NH+](CC)CCCNC(=O)NC(C)(C)C[NH3+] ZINC000416818583 386400476 /nfs/dbraw/zinc/40/04/76/386400476.db2.gz QKUJUKAKWLITES-UHFFFAOYSA-N 2 0 244.383 0.755 20 0 BCADRP CC[NH+](CC)CCCNC(=O)C[NH+](C)C ZINC000442651615 386402425 /nfs/dbraw/zinc/40/24/25/386402425.db2.gz MSKNNCXLAWPUNU-UHFFFAOYSA-N 2 0 215.341 0.396 20 0 BCADRP [NH3+]C[C@H](C(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000237829661 386415449 /nfs/dbraw/zinc/41/54/49/386415449.db2.gz AFDSNTHGKAXDGQ-OLZOCXBDSA-N 2 0 247.342 0.597 20 0 BCADRP CC[C@]1(C(=O)N2CCC[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000134364719 386424810 /nfs/dbraw/zinc/42/48/10/386424810.db2.gz ZWPWTVHDIRMIJJ-CMPLNLGQSA-N 2 0 225.336 0.468 20 0 BCADRP CC[NH+](CC)CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000134463922 386430064 /nfs/dbraw/zinc/43/00/64/386430064.db2.gz KQKPSJSVMABATK-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP CC[C@@H](C)[N@H+](CCO)C[C@@H](O)CN(C)C1CC1 ZINC000336732894 386430940 /nfs/dbraw/zinc/43/09/40/386430940.db2.gz ZWCWPPDZOOWMKP-YPMHNXCESA-N 2 0 244.379 0.534 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000519402955 386431838 /nfs/dbraw/zinc/43/18/38/386431838.db2.gz MGPLAEDULRTXIL-DCAQKATOSA-N 2 0 225.336 0.276 20 0 BCADRP CCC[NH2+]CCNC(=O)NCC[N@H+](C)C1CC1 ZINC000417604130 386434485 /nfs/dbraw/zinc/43/44/85/386434485.db2.gz AVSVMJDUCHXCIR-UHFFFAOYSA-N 2 0 242.367 0.379 20 0 BCADRP C[N@H+](CCNC(=O)NCC1([NH3+])CCC1)C1CC1 ZINC000417627037 386466185 /nfs/dbraw/zinc/46/61/85/386466185.db2.gz PCQDWHXRHYMWTQ-UHFFFAOYSA-N 2 0 240.351 0.261 20 0 BCADRP O[C@H]1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414773452 386467429 /nfs/dbraw/zinc/46/74/29/386467429.db2.gz AKJNNQWATMFGBP-XGUBFFRZSA-N 2 0 246.354 0.960 20 0 BCADRP O=C([C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CC[NH2+]CC1 ZINC000366412914 386469923 /nfs/dbraw/zinc/46/99/23/386469923.db2.gz FWQWRUVPFIOEQC-NEPJUHHUSA-N 2 0 237.347 0.293 20 0 BCADRP CCN1C[C@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)CC1=O ZINC000391591573 386471641 /nfs/dbraw/zinc/47/16/41/386471641.db2.gz FLRRSVHXQFANSW-IJLUTSLNSA-N 2 0 239.363 0.680 20 0 BCADRP C[N@H+](CCNC(=O)N1CCC[NH2+]CC1)C1CC1 ZINC000417629264 386472968 /nfs/dbraw/zinc/47/29/68/386472968.db2.gz SBXAEHPSLLIDBX-UHFFFAOYSA-N 2 0 240.351 0.086 20 0 BCADRP C[NH+](C)CC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000335428578 386484156 /nfs/dbraw/zinc/48/41/56/386484156.db2.gz IMHQHADDKMTZFO-CYBMUJFWSA-N 2 0 247.342 0.633 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)c1ccnc(C[NH3+])c1 ZINC000519549014 386484432 /nfs/dbraw/zinc/48/44/32/386484432.db2.gz ZNHSPYICKUBPGT-VIFPVBQESA-N 2 0 236.319 0.126 20 0 BCADRP [NH3+]CCC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000335429002 386484683 /nfs/dbraw/zinc/48/46/83/386484683.db2.gz LFQQQEGNYIZWPW-GFCCVEGCSA-N 2 0 233.315 0.420 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000519540681 386486011 /nfs/dbraw/zinc/48/60/11/386486011.db2.gz REVSTOMLAAZMNG-AEJSXWLSSA-N 2 0 213.325 0.165 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)[C@@H](C)[NH3+] ZINC000519540723 386486526 /nfs/dbraw/zinc/48/65/26/386486526.db2.gz REVSTOMLAAZMNG-OPRDCNLKSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000059930744 386486929 /nfs/dbraw/zinc/48/69/29/386486929.db2.gz INXOYHCKSCBKOU-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000335431457 386489923 /nfs/dbraw/zinc/48/99/23/386489923.db2.gz WNGOQHRPAWNUGK-GWCFXTLKSA-N 2 0 247.342 0.666 20 0 BCADRP COC(=O)C(C)(C)CC[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000415011415 386490236 /nfs/dbraw/zinc/49/02/36/386490236.db2.gz HUOXRXUKFPYZQE-BDAKNGLRSA-N 2 0 216.325 0.901 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000335432888 386491321 /nfs/dbraw/zinc/49/13/21/386491321.db2.gz FEQXBBBEZXQELS-MNOVXSKESA-N 2 0 225.336 0.149 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417318096 386495980 /nfs/dbraw/zinc/49/59/80/386495980.db2.gz KWBSNAMYPFGVCQ-MWLCHTKSSA-N 2 0 242.367 0.363 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000335443429 386503719 /nfs/dbraw/zinc/50/37/19/386503719.db2.gz IDIKEOHKLIMRJZ-LBPRGKRZSA-N 2 0 247.342 0.727 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000519632509 386510965 /nfs/dbraw/zinc/51/09/65/386510965.db2.gz IEXXHHWIVWTNJK-GFCCVEGCSA-N 2 0 235.331 0.802 20 0 BCADRP [NH3+]CC1(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000335447620 386514245 /nfs/dbraw/zinc/51/42/45/386514245.db2.gz FGVNDUHRSHXJBX-MNOVXSKESA-N 3 0 209.337 0.409 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000415025469 386514453 /nfs/dbraw/zinc/51/44/53/386514453.db2.gz QCKYTCHBAWKRBT-IJLUTSLNSA-N 2 0 211.353 0.703 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000519641277 386514819 /nfs/dbraw/zinc/51/48/19/386514819.db2.gz DZGUYKGYNANGDI-JXUBOQSCSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@@H](C[NH3+])N(C)C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000335447946 386515225 /nfs/dbraw/zinc/51/52/25/386515225.db2.gz YAQBEIZOWKVFDB-GWCFXTLKSA-N 2 0 247.342 0.679 20 0 BCADRP Cc1c[nH]nc1CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000335447268 386515539 /nfs/dbraw/zinc/51/55/39/386515539.db2.gz BRLZPXBOKZHHPS-UWVGGRQHSA-N 2 0 208.309 0.887 20 0 BCADRP Cc1c[nH]nc1CN1CC[C@@](C)(C[NH3+])C1 ZINC000335448060 386516509 /nfs/dbraw/zinc/51/65/09/386516509.db2.gz LHUDGYUEKGMEDO-NSHDSACASA-N 2 0 208.309 0.889 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000335448768 386517635 /nfs/dbraw/zinc/51/76/35/386517635.db2.gz RZMPJRNAERBYRV-ZYHUDNBSSA-N 3 0 211.353 0.716 20 0 BCADRP Cc1c[nH]nc1CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000335448311 386517935 /nfs/dbraw/zinc/51/79/35/386517935.db2.gz MNTKLOFFIMRYKX-VHSXEESVSA-N 2 0 208.309 0.887 20 0 BCADRP C[N@H+](CCNC(=O)N1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000331397426 386519865 /nfs/dbraw/zinc/51/98/65/386519865.db2.gz AAEZTZYCFKIZSU-SNVBAGLBSA-N 2 0 240.351 0.213 20 0 BCADRP [NH3+]CC1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000519645981 386521880 /nfs/dbraw/zinc/52/18/80/386521880.db2.gz ODCVMYJRAWLHTQ-UHFFFAOYSA-N 2 0 211.309 0.065 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)CCC[NH3+] ZINC000519647792 386524973 /nfs/dbraw/zinc/52/49/73/386524973.db2.gz FXCDCEQUZJCNBG-UTLUCORTSA-N 2 0 215.341 0.603 20 0 BCADRP [NH3+]CCCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000417141607 386455300 /nfs/dbraw/zinc/45/53/00/386455300.db2.gz RMTDBRICGHLAMP-WDEREUQCSA-N 2 0 240.351 0.261 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC[N@H+](C)CCOC ZINC000061380742 386455597 /nfs/dbraw/zinc/45/55/97/386455597.db2.gz UXUOYTUWAYEYEF-GFCCVEGCSA-N 2 0 245.367 0.198 20 0 BCADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCC[NH2+]C)C1 ZINC000417236040 386463625 /nfs/dbraw/zinc/46/36/25/386463625.db2.gz DDDAPZWJIKMXIH-LLVKDONJSA-N 2 0 242.367 0.237 20 0 BCADRP C[C@@H](CNC(=O)CCC[NH3+])C[NH+]1CCCC1 ZINC000059930722 386463886 /nfs/dbraw/zinc/46/38/86/386463886.db2.gz LKZAYKRCERNDLF-NSHDSACASA-N 2 0 227.352 0.573 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094648192 386465748 /nfs/dbraw/zinc/46/57/48/386465748.db2.gz UOLXMTUOEDXJKA-VXGBXAGGSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000647779033 386576733 /nfs/dbraw/zinc/57/67/33/386576733.db2.gz MWPCLQRWCVKZOL-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP [NH3+]CCN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978098 386577250 /nfs/dbraw/zinc/57/72/50/386577250.db2.gz MODMTCSGYOPKJT-VXGBXAGGSA-N 2 0 211.353 0.657 20 0 BCADRP C[C@H](C(N)=O)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978235 386577935 /nfs/dbraw/zinc/57/79/35/386577935.db2.gz OUOJOJLATIXLEK-WOPDTQHZSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000647779460 386579937 /nfs/dbraw/zinc/57/99/37/386579937.db2.gz KQVJWNUFXLSUPI-ZYHUDNBSSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335417552 386584324 /nfs/dbraw/zinc/58/43/24/386584324.db2.gz NMSBLOFNSNEUSR-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000335416727 386585312 /nfs/dbraw/zinc/58/53/12/386585312.db2.gz KTGACDDTCGBGCX-WCQYABFASA-N 2 0 247.342 0.802 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C2([NH3+])CCC2)C1 ZINC000335416574 386585415 /nfs/dbraw/zinc/58/54/15/386585415.db2.gz HXNFBILGTYTOGR-SECBINFHSA-N 2 0 211.309 0.078 20 0 BCADRP CC(C)[C@H]([NH3+])C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414801447 386585847 /nfs/dbraw/zinc/58/58/47/386585847.db2.gz UDIWYMBQIPHROX-IJLUTSLNSA-N 3 0 213.369 0.947 20 0 BCADRP C[C@H](C(=O)N1CC[C@H]([NH3+])C1)[NH+]1CCCCCC1 ZINC000237390989 386590595 /nfs/dbraw/zinc/59/05/95/386590595.db2.gz KDKMAJQKHGVSEF-NEPJUHHUSA-N 2 0 239.363 0.811 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)C(F)F ZINC000519716460 386532855 /nfs/dbraw/zinc/53/28/55/386532855.db2.gz TXINBLKAQLCCHP-JGVFFNPUSA-N 2 0 235.278 0.227 20 0 BCADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C12CCC2 ZINC000415047462 386533817 /nfs/dbraw/zinc/53/38/17/386533817.db2.gz YUVJNNAJOYJZOZ-PQCBQTOFSA-N 2 0 236.359 0.997 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(C)(C)[NH3+])C1 ZINC000062972533 386535191 /nfs/dbraw/zinc/53/51/91/386535191.db2.gz GNAKOADYBFZGOT-SNVBAGLBSA-N 2 0 227.352 0.666 20 0 BCADRP CN(Cc1cccc2c1OCO2)C[C@@H](O)C[NH3+] ZINC000415056828 386536687 /nfs/dbraw/zinc/53/66/87/386536687.db2.gz OREASKUFRYSFGY-JTQLQIEISA-N 2 0 238.287 0.167 20 0 BCADRP CC(C)[C@@](C)(CN)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000519707704 386538558 /nfs/dbraw/zinc/53/85/58/386538558.db2.gz FYUMCHOAHKYGKW-VXGBXAGGSA-N 2 0 213.369 0.949 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@@H](C[NH3+])C2CC2)co1 ZINC000519709794 386540394 /nfs/dbraw/zinc/54/03/94/386540394.db2.gz IAVBXBFYSKZTQQ-JTQLQIEISA-N 2 0 223.276 0.205 20 0 BCADRP C[C@@H](CC(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415059762 386540563 /nfs/dbraw/zinc/54/05/63/386540563.db2.gz YWAIEZGHUAQGOO-NTZNESFSSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335459721 386541185 /nfs/dbraw/zinc/54/11/85/386541185.db2.gz CHMUIWXSWMYHCR-SCZZXKLOSA-N 2 0 219.288 0.250 20 0 BCADRP COCc1cccc(CN(C)C[C@@H](O)C[NH3+])c1 ZINC000415060016 386541769 /nfs/dbraw/zinc/54/17/69/386541769.db2.gz SXZBQXXKBYLOPE-ZDUSSCGKSA-N 2 0 238.331 0.584 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)C2([NH3+])CCC2)cc1 ZINC000335463158 386548419 /nfs/dbraw/zinc/54/84/19/386548419.db2.gz PEWAFKSKOZBKBR-UHFFFAOYSA-N 2 0 219.288 0.965 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000519776877 386554458 /nfs/dbraw/zinc/55/44/58/386554458.db2.gz YZLVDWZVHGCAFA-QWRGUYRKSA-N 2 0 227.352 0.348 20 0 BCADRP Cn1cc(CN2CCn3cncc3C2)cn1 ZINC000291539773 386556693 /nfs/dbraw/zinc/55/66/93/386556693.db2.gz LESYZMNBEGNDNA-UHFFFAOYSA-N 2 0 217.276 0.632 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1([NH3+])CCC1 ZINC000335405860 386563648 /nfs/dbraw/zinc/56/36/48/386563648.db2.gz ILTWRJRDZFPYHO-IUCAKERBSA-N 2 0 211.309 0.125 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000519830981 386565532 /nfs/dbraw/zinc/56/55/32/386565532.db2.gz ZBUAEQQKHIGLRY-OLZOCXBDSA-N 2 0 225.380 0.917 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136192036 386568246 /nfs/dbraw/zinc/56/82/46/386568246.db2.gz SQJWTLIBGPPJEA-ZDUSSCGKSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000136194255 386568331 /nfs/dbraw/zinc/56/83/31/386568331.db2.gz UVICVZVRUOCXCM-ZDUSSCGKSA-N 2 0 239.363 0.729 20 0 BCADRP CN(C[C@@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647903660 386569270 /nfs/dbraw/zinc/56/92/70/386569270.db2.gz NWTRJQWEOYPQGD-FKJOKYEKSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000070582621 386570566 /nfs/dbraw/zinc/57/05/66/386570566.db2.gz ROMJXFPKZMEMHX-ONGXEEELSA-N 2 0 225.336 0.276 20 0 BCADRP [NH3+]C[C@@H](N[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000415073818 386571866 /nfs/dbraw/zinc/57/18/66/386571866.db2.gz ZTYLVGMZTOTNTP-NWDGAFQWSA-N 2 0 211.353 0.846 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000335410733 386573424 /nfs/dbraw/zinc/57/34/24/386573424.db2.gz SUFDHZUUJNRZAG-ONGXEEELSA-N 2 0 225.336 0.311 20 0 BCADRP CC(C)C[C@@H]([NH3+])CNC[C@H]([NH3+])C(C)C ZINC000414795111 386573523 /nfs/dbraw/zinc/57/35/23/386573523.db2.gz MMKAHDWCGQIHJE-MNOVXSKESA-N 2 0 201.358 0.933 20 0 BCADRP Cn1nnc2cc(CN[C@H](C[NH3+])C3CC3)ccc21 ZINC000414795319 386573614 /nfs/dbraw/zinc/57/36/14/386573614.db2.gz GPIWOAROPSNBHN-GFCCVEGCSA-N 2 0 245.330 0.795 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000414925109 386626679 /nfs/dbraw/zinc/62/66/79/386626679.db2.gz JHHPLGLIROHMOZ-IJLUTSLNSA-N 2 0 211.353 0.716 20 0 BCADRP C[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000415121454 386631249 /nfs/dbraw/zinc/63/12/49/386631249.db2.gz HJDMLURBAQDOKQ-UPJWGTAASA-N 2 0 225.380 0.903 20 0 BCADRP C[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000415121453 386632250 /nfs/dbraw/zinc/63/22/50/386632250.db2.gz HJDMLURBAQDOKQ-JHJVBQTASA-N 2 0 225.380 0.903 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000647906589 386635563 /nfs/dbraw/zinc/63/55/63/386635563.db2.gz HDELQMUNJXJOMH-ZYHUDNBSSA-N 2 0 235.331 0.554 20 0 BCADRP C[C@H](O)[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000415143397 386638580 /nfs/dbraw/zinc/63/85/80/386638580.db2.gz SMZHTHSANMEWOX-XQHKEYJVSA-N 2 0 242.363 0.456 20 0 BCADRP [NH3+]Cc1cc(C(=O)NCC[C@H]2CCC[NH2+]2)co1 ZINC000520227453 386608268 /nfs/dbraw/zinc/60/82/68/386608268.db2.gz CQWJGMVWDWBROM-SNVBAGLBSA-N 2 0 237.303 0.610 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)CC[NH3+])C1 ZINC000062967614 386663774 /nfs/dbraw/zinc/66/37/74/386663774.db2.gz OLRPGBHHNZXWEY-SNVBAGLBSA-N 2 0 213.325 0.278 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000335522457 386663795 /nfs/dbraw/zinc/66/37/95/386663795.db2.gz VKLUHRZUJUCVAB-LLVKDONJSA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000335522578 386664425 /nfs/dbraw/zinc/66/44/25/386664425.db2.gz YFGCIQCUUWLWHM-TXEJJXNPSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@@H](C(=O)NCCC[NH2+]C)[NH+](CC)CC ZINC000428130444 386666808 /nfs/dbraw/zinc/66/68/08/386666808.db2.gz SURRBSNKBOVKNH-NSHDSACASA-N 2 0 229.368 0.833 20 0 BCADRP Cc1ccc(O)c(CNC[C@@H]2CCC[NH2+]2)n1 ZINC000414822295 386670649 /nfs/dbraw/zinc/67/06/49/386670649.db2.gz DOSWDIAOYNTEJT-JTQLQIEISA-N 2 0 221.304 0.937 20 0 BCADRP C[C@@]1(C[NH3+])CC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000647954463 386682472 /nfs/dbraw/zinc/68/24/72/386682472.db2.gz NJPMBAYDXCVFEE-OLZOCXBDSA-N 2 0 242.363 0.853 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000042165453 386674662 /nfs/dbraw/zinc/67/46/62/386674662.db2.gz WESQIKMDRABWAT-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CC(C)[N@@H+]1CCCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000335520515 386658940 /nfs/dbraw/zinc/65/89/40/386658940.db2.gz FOTNPKHYNCOYFT-LLVKDONJSA-N 2 0 225.336 0.291 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+]CC(F)(F)CN)CC[NH2+]1 ZINC000414927027 386688257 /nfs/dbraw/zinc/68/82/57/386688257.db2.gz KQFXAOMHXMETSI-RKDXNWHRSA-N 2 0 221.295 0.558 20 0 BCADRP CN(C)C(=O)CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000337274147 386689510 /nfs/dbraw/zinc/68/95/10/386689510.db2.gz PNWGNVJCORKARV-UHFFFAOYSA-N 2 0 241.379 0.882 20 0 BCADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000335471059 386691272 /nfs/dbraw/zinc/69/12/72/386691272.db2.gz BNEHBUZQAHTYEZ-CMPLNLGQSA-N 2 0 237.347 0.410 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(CCOCC[NH3+])C1 ZINC000357081532 386711784 /nfs/dbraw/zinc/71/17/84/386711784.db2.gz VGQNRVCDGYBYMH-LBPRGKRZSA-N 2 0 229.368 0.235 20 0 BCADRP [NH3+]CCOCC[N@H+](CCO)Cc1ccccc1 ZINC000357027156 386693385 /nfs/dbraw/zinc/69/33/85/386693385.db2.gz KEEWMYAIXLMOHJ-UHFFFAOYSA-N 2 0 238.331 0.456 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000520579456 386700536 /nfs/dbraw/zinc/70/05/36/386700536.db2.gz WHWAZAOJVBOIDO-NWDGAFQWSA-N 2 0 227.352 0.701 20 0 BCADRP C[NH+](C)CC1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000647958917 386703925 /nfs/dbraw/zinc/70/39/25/386703925.db2.gz MFFIJORLYPDCFF-UHFFFAOYSA-N 2 0 237.351 0.621 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](CC)C[C@H]1C ZINC000520603940 386704963 /nfs/dbraw/zinc/70/49/63/386704963.db2.gz GNZWLADTFFQOPX-CHWSQXEVSA-N 2 0 243.395 0.325 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)Cn1cccn1 ZINC000414829913 386705130 /nfs/dbraw/zinc/70/51/30/386705130.db2.gz BPSLNFSUEPASFM-QWRGUYRKSA-N 2 0 210.325 0.717 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CC)C[C@H]1C ZINC000520603941 386705463 /nfs/dbraw/zinc/70/54/63/386705463.db2.gz GNZWLADTFFQOPX-OLZOCXBDSA-N 2 0 243.395 0.325 20 0 BCADRP [NH3+]CCOCC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000357068232 386707840 /nfs/dbraw/zinc/70/78/40/386707840.db2.gz DNZAHUMPFNJJLL-UHFFFAOYSA-N 2 0 238.335 0.564 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000114400721 386708582 /nfs/dbraw/zinc/70/85/82/386708582.db2.gz YINMLHVUXWVWFM-LBPRGKRZSA-N 2 0 241.379 0.737 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)CC[NH2+]C ZINC000357180118 386733290 /nfs/dbraw/zinc/73/32/90/386733290.db2.gz VRNMVPRGZOOMFO-UHFFFAOYSA-N 2 0 229.368 0.834 20 0 BCADRP CC[C@]1(C(=O)NCC[N@H+](C)C(C)C)CCC[NH2+]1 ZINC000122073166 386734038 /nfs/dbraw/zinc/73/40/38/386734038.db2.gz IDNCKWBTXBBJFJ-CYBMUJFWSA-N 2 0 241.379 0.975 20 0 BCADRP c1ncn(CC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000357074317 386712655 /nfs/dbraw/zinc/71/26/55/386712655.db2.gz FVNUYVGPTRNLMT-CYBMUJFWSA-N 2 0 249.362 0.600 20 0 BCADRP Cn1cc([C@H]2CC[N@H+](CCOCC[NH3+])C2)cn1 ZINC000357091055 386713490 /nfs/dbraw/zinc/71/34/90/386713490.db2.gz VTNGYJOLTXOURF-NSHDSACASA-N 2 0 238.335 0.185 20 0 BCADRP C[NH+](C)C1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000645100319 386715900 /nfs/dbraw/zinc/71/59/00/386715900.db2.gz GOJCQOFHKMCJKV-NSHDSACASA-N 2 0 239.363 0.537 20 0 BCADRP CCN(CCC[NH+]1CCCC1)C(=O)C[NH+](C)C ZINC000357126751 386722712 /nfs/dbraw/zinc/72/27/12/386722712.db2.gz SUKBFVBAQVYTMS-UHFFFAOYSA-N 2 0 241.379 0.882 20 0 BCADRP CN(CCC[NH2+]C1CCOCC1)CC[NH+](C)C ZINC000623088122 386723178 /nfs/dbraw/zinc/72/31/78/386723178.db2.gz XDYXRMIIWBXEKY-UHFFFAOYSA-N 2 0 243.395 0.639 20 0 BCADRP CN(CCC[NH2+]Cc1ncc[nH]1)CC[NH+](C)C ZINC000623088123 386724652 /nfs/dbraw/zinc/72/46/52/386724652.db2.gz XHIDFVRBRUDQRL-UHFFFAOYSA-N 2 0 239.367 0.383 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726674 386726911 /nfs/dbraw/zinc/72/69/11/386726911.db2.gz LXPFDWQIWWBAST-ONGXEEELSA-N 2 0 225.336 0.323 20 0 BCADRP O=C(CC[NH2+]C1CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638507301 386727985 /nfs/dbraw/zinc/72/79/85/386727985.db2.gz GPUSQRJZQDDPCG-LLVKDONJSA-N 2 0 237.347 0.529 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@@]12C[NH2+]C[C@@H]1CCCC2 ZINC000357237779 386745751 /nfs/dbraw/zinc/74/57/51/386745751.db2.gz FWEIICJVLYKWSU-MDZLAQPJSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000357253947 386747286 /nfs/dbraw/zinc/74/72/86/386747286.db2.gz XOUNVTPTMWGLGA-KOLCDFICSA-N 2 0 225.336 0.276 20 0 BCADRP CC[C@H](Cn1cncn1)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425941444 386754254 /nfs/dbraw/zinc/75/42/54/386754254.db2.gz ZLNBGDCTEIINRN-VXGBXAGGSA-N 2 0 239.367 0.844 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000357363136 386770022 /nfs/dbraw/zinc/77/00/22/386770022.db2.gz OGCWJGMZGOWQLT-DCAQKATOSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000417801539 386764430 /nfs/dbraw/zinc/76/44/30/386764430.db2.gz UJWPBZMBUDYUOK-VWYCJHECSA-N 2 0 225.336 0.195 20 0 BCADRP C([NH2+][C@H]1CCCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000335640825 386765327 /nfs/dbraw/zinc/76/53/27/386765327.db2.gz AKHZZDPXCZBEHQ-LBPRGKRZSA-N 3 0 211.353 0.718 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCCC1CC[NH+](C)CC1 ZINC000122178368 386741136 /nfs/dbraw/zinc/74/11/36/386741136.db2.gz BEUTTZWZOVQVHK-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000357222685 386741476 /nfs/dbraw/zinc/74/14/76/386741476.db2.gz HQHSUXLTGYSKNS-ZJUUUORDSA-N 2 0 229.368 0.674 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000417828298 386790539 /nfs/dbraw/zinc/79/05/39/386790539.db2.gz FCIXKYQTRZQFNM-WZRBSPASSA-N 2 0 241.379 0.947 20 0 BCADRP [NH3+]C[C@@H]1CN(CCC2CC[NH2+]CC2)CCO1 ZINC000647908929 386791883 /nfs/dbraw/zinc/79/18/83/386791883.db2.gz UESUDYOPHCJZAR-GFCCVEGCSA-N 2 0 227.352 0.036 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC[NH2+]2)CC[NH2+]1 ZINC000417835985 386794136 /nfs/dbraw/zinc/79/41/36/386794136.db2.gz UJWPBZMBUDYUOK-HBNTYKKESA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@H]1[NH3+] ZINC000417835816 386794385 /nfs/dbraw/zinc/79/43/85/386794385.db2.gz OCMIJJKADVEFBB-IWSPIJDZSA-N 2 0 213.325 0.165 20 0 BCADRP CCCC[C@@H]([NH3+])C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000417836385 386795570 /nfs/dbraw/zinc/79/55/70/386795570.db2.gz LSQXEXRZEGJGJU-NQBHXWOUSA-N 2 0 241.379 0.947 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000417837158 386795946 /nfs/dbraw/zinc/79/59/46/386795946.db2.gz XLYANVNXFKMXNN-GMTAPVOTSA-N 2 0 227.352 0.489 20 0 BCADRP C[C@@H](C(=O)N1CCCC[C@H]1CC[NH3+])[C@H](C)[NH3+] ZINC000357363157 386771029 /nfs/dbraw/zinc/77/10/29/386771029.db2.gz OGCWJGMZGOWQLT-VWYCJHECSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000394974039 386771336 /nfs/dbraw/zinc/77/13/36/386771336.db2.gz ZNMHCGCTLVEEMX-KOLCDFICSA-N 2 0 225.336 0.337 20 0 BCADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)C[NH2+]C ZINC000417838612 386796266 /nfs/dbraw/zinc/79/62/66/386796266.db2.gz QPNDVNFOMBDSJH-LBPRGKRZSA-N 2 0 235.331 0.584 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)CC[N@@H+]1C ZINC000340415944 386779688 /nfs/dbraw/zinc/77/96/88/386779688.db2.gz YWIUPJCGHNAPEE-LPWJVIDDSA-N 2 0 242.363 0.599 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C1 ZINC000417813282 386780455 /nfs/dbraw/zinc/78/04/55/386780455.db2.gz PLPHLEMKTPWIGF-MXWKQRLJSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H](C)CC[NH2+]2)C1 ZINC000417813279 386782126 /nfs/dbraw/zinc/78/21/26/386782126.db2.gz PLPHLEMKTPWIGF-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000417827232 386784186 /nfs/dbraw/zinc/78/41/86/386784186.db2.gz CZZLKDNYAFGNIZ-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000019802379 386784621 /nfs/dbraw/zinc/78/46/21/386784621.db2.gz RZFGIIROVIYOCD-LLVKDONJSA-N 2 0 221.304 0.364 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000417827940 386785487 /nfs/dbraw/zinc/78/54/87/386785487.db2.gz DVNJQNJLXMSPRV-TUAOUCFPSA-N 2 0 241.379 0.818 20 0 BCADRP CN1CC[C@@](O)(C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000417988431 386789299 /nfs/dbraw/zinc/78/92/99/386789299.db2.gz KAKLDTLEXIYHHT-CMPLNLGQSA-N 2 0 228.336 0.210 20 0 BCADRP C[C@H]1[C@@H](NC(=O)NCCCC[NH3+])CCC[N@@H+]1C ZINC000418001881 386820746 /nfs/dbraw/zinc/82/07/46/386820746.db2.gz LHSVKJZYNUJREQ-QWRGUYRKSA-N 2 0 242.367 0.507 20 0 BCADRP CC(C)(C)[NH2+]CC[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414845257 386797540 /nfs/dbraw/zinc/79/75/40/386797540.db2.gz FUEDZVDWZWQPOD-NSHDSACASA-N 3 0 213.369 0.964 20 0 BCADRP [NH3+]CCCC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417843389 386798769 /nfs/dbraw/zinc/79/87/69/386798769.db2.gz VJMIYOWSGSXWPN-SNVBAGLBSA-N 2 0 213.325 0.359 20 0 BCADRP [NH3+]C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000417843382 386799200 /nfs/dbraw/zinc/79/92/00/386799200.db2.gz VIXKOMAXPOZOIX-RYUDHWBXSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000417843086 386800463 /nfs/dbraw/zinc/80/04/63/386800463.db2.gz QGRYNMNPOMQDKO-WPRPVWTQSA-N 2 0 227.352 0.617 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000417853327 386802262 /nfs/dbraw/zinc/80/22/62/386802262.db2.gz OVTQZVNOWXCZIB-GUBZILKMSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000417851847 386802641 /nfs/dbraw/zinc/80/26/41/386802641.db2.gz YQVGCGFESLZFOR-ZJUUUORDSA-N 2 0 227.352 0.476 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417851714 386803025 /nfs/dbraw/zinc/80/30/25/386803025.db2.gz NPSLLXUORDBMPL-NXEZZACHSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000417852300 386803310 /nfs/dbraw/zinc/80/33/10/386803310.db2.gz ZEOLCWVBTOMMQW-UWVGGRQHSA-N 2 0 229.368 0.707 20 0 BCADRP C[NH2+]CCNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000417857003 386805029 /nfs/dbraw/zinc/80/50/29/386805029.db2.gz NOEKMZYIMGUQQZ-UWVGGRQHSA-N 2 0 240.351 0.130 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000417846887 386805246 /nfs/dbraw/zinc/80/52/46/386805246.db2.gz UGALMNPSQHWPQC-WOPDTQHZSA-N 2 0 241.379 0.947 20 0 BCADRP C[NH2+]CCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000417850136 386807358 /nfs/dbraw/zinc/80/73/58/386807358.db2.gz XJFCBRPTZVETGJ-ZDUSSCGKSA-N 2 0 247.342 0.769 20 0 BCADRP CO[C@@H]1CN(CC[C@H]2CCCC[N@@H+]2C)C[C@H]1O ZINC000395326608 386813821 /nfs/dbraw/zinc/81/38/21/386813821.db2.gz PATYSLBNMKVJJS-JHJVBQTASA-N 2 0 242.363 0.552 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000366554730 386831201 /nfs/dbraw/zinc/83/12/01/386831201.db2.gz KVHSDMZGRGLWEH-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000425339611 386839141 /nfs/dbraw/zinc/83/91/41/386839141.db2.gz CTSNLLNZKLHLKG-SDDRHHMPSA-N 2 0 244.404 0.927 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000357796922 386844531 /nfs/dbraw/zinc/84/45/31/386844531.db2.gz QEXBOFUWRCLQER-CMPLNLGQSA-N 2 0 227.352 0.618 20 0 BCADRP CCN(C)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341174132 386852487 /nfs/dbraw/zinc/85/24/87/386852487.db2.gz OWRZTJQSZUOALT-UHFFFAOYSA-N 2 0 241.379 0.738 20 0 BCADRP C[C@@H]1[C@H](NC(=O)NCC(C)(C)[NH3+])CCC[N@@H+]1C ZINC000418010790 386891969 /nfs/dbraw/zinc/89/19/69/386891969.db2.gz WEACIKKTWJJNHL-NXEZZACHSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000414938788 386858970 /nfs/dbraw/zinc/85/89/70/386858970.db2.gz FIJJRDZQPUQFQB-TUAOUCFPSA-N 2 0 211.353 0.716 20 0 BCADRP CS[C@@H]1CC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000425346404 386859001 /nfs/dbraw/zinc/85/90/01/386859001.db2.gz KLZXQBAVCGOLMZ-WDEREUQCSA-N 2 0 244.404 0.927 20 0 BCADRP C[C@H](C[NH3+])NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000334792993 386859764 /nfs/dbraw/zinc/85/97/64/386859764.db2.gz ZFTKXBJLFQIMSS-MRVPVSSYSA-N 2 0 219.288 0.367 20 0 BCADRP Cc1cnc(C[NH2+]CCOCC[NH+](C)C)n1C ZINC000341256336 386868126 /nfs/dbraw/zinc/86/81/26/386868126.db2.gz HJDQTKWDOOROMW-UHFFFAOYSA-N 2 0 240.351 0.396 20 0 BCADRP C[C@]1(CN[C@@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000334832303 386868973 /nfs/dbraw/zinc/86/89/73/386868973.db2.gz BTLKUKCESOKSEM-ZJUUUORDSA-N 2 0 233.306 0.573 20 0 BCADRP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000341263507 386871267 /nfs/dbraw/zinc/87/12/67/386871267.db2.gz PFXXSYOKPXPWJY-WOPDTQHZSA-N 2 0 241.379 0.498 20 0 BCADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCOC2)CC1 ZINC000341278559 386874521 /nfs/dbraw/zinc/87/45/21/386874521.db2.gz MFZKIBPJPPPKFK-LBPRGKRZSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000052061970 386875349 /nfs/dbraw/zinc/87/53/49/386875349.db2.gz OTIJVMXEOJAJHK-NSHDSACASA-N 2 0 239.363 0.668 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000335756228 386884693 /nfs/dbraw/zinc/88/46/93/386884693.db2.gz YBTCSYJZWGYHRV-VHSXEESVSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000418011573 386899579 /nfs/dbraw/zinc/89/95/79/386899579.db2.gz XADZEOQSPWNBHA-UKKRHICBSA-N 2 0 242.367 0.504 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000418012778 386906175 /nfs/dbraw/zinc/90/61/75/386906175.db2.gz YKNSVOBQXYXWLB-LPEHRKFASA-N 2 0 228.340 0.116 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000418012773 386906512 /nfs/dbraw/zinc/90/65/12/386906512.db2.gz YKNSVOBQXYXWLB-AEJSXWLSSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCCC[NH2+]1 ZINC000368140493 386946491 /nfs/dbraw/zinc/94/64/91/386946491.db2.gz BIUVZECOYZHOKJ-NHCYSSNCSA-N 2 0 243.326 0.335 20 0 BCADRP [NH3+]CCCN1CC[NH2+]Cc2ccccc21 ZINC000334819866 386946923 /nfs/dbraw/zinc/94/69/23/386946923.db2.gz JVKSCDKWBUHSLN-UHFFFAOYSA-N 2 0 205.305 0.945 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)CCC[N@@H+]1C ZINC000418013789 386922379 /nfs/dbraw/zinc/92/23/79/386922379.db2.gz ZQPVRIPNUXOEKC-MXWKQRLJSA-N 2 0 240.351 0.130 20 0 BCADRP CC1(C[NH2+][C@@H]2CCCNC2)CC[NH2+]CC1 ZINC000334867067 386924299 /nfs/dbraw/zinc/92/42/99/386924299.db2.gz ZPLQNSZDLVCPIE-LLVKDONJSA-N 2 0 211.353 0.718 20 0 BCADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367984470 386925380 /nfs/dbraw/zinc/92/53/80/386925380.db2.gz XQTDFTBFVAPKOV-LBPRGKRZSA-N 2 0 241.379 0.916 20 0 BCADRP C([NH2+][C@H]1CCCSC1)[C@@H]1C[NH2+]CCCO1 ZINC000334873977 386934991 /nfs/dbraw/zinc/93/49/91/386934991.db2.gz MFEYPMOCYDHOFW-QWRGUYRKSA-N 2 0 230.377 0.850 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368088483 386939080 /nfs/dbraw/zinc/93/90/80/386939080.db2.gz FOWMZAXFYJHQGG-RYUDHWBXSA-N 2 0 237.347 0.054 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)N(C)C1CC([NH3+])C1 ZINC000331995889 386939459 /nfs/dbraw/zinc/93/94/59/386939459.db2.gz FIDXCYRNBJJGGJ-RTBKNWGFSA-N 2 0 228.340 0.101 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000368114797 386942017 /nfs/dbraw/zinc/94/20/17/386942017.db2.gz JNVDADZISCSPGR-GMTAPVOTSA-N 2 0 225.336 0.180 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368104194 386942021 /nfs/dbraw/zinc/94/20/21/386942021.db2.gz CKZWEUFBNMBPNI-NEPJUHHUSA-N 2 0 239.363 0.396 20 0 BCADRP Cn1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)n1 ZINC000368221957 386953420 /nfs/dbraw/zinc/95/34/20/386953420.db2.gz JWEMYIFMPAGPGH-VIFPVBQESA-N 2 0 231.303 0.790 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000334890063 386962774 /nfs/dbraw/zinc/96/27/74/386962774.db2.gz MVSUEZJYNOCLQO-CMPLNLGQSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000332157654 386963084 /nfs/dbraw/zinc/96/30/84/386963084.db2.gz QCNQOHWJUAILTF-XHVZSJERSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+]C[C@@H](NC(=O)N1CCCC[C@H]1C[NH3+])C1CC1 ZINC000332130609 386963310 /nfs/dbraw/zinc/96/33/10/386963310.db2.gz JROLYORBWLTUFM-WDEREUQCSA-N 2 0 240.351 0.247 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000332144968 386963714 /nfs/dbraw/zinc/96/37/14/386963714.db2.gz NDSMMBPICUFSBR-MVWJERBFSA-N 2 0 239.363 0.570 20 0 BCADRP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368388161 386970074 /nfs/dbraw/zinc/97/00/74/386970074.db2.gz PLJOUUNFVCMIHV-UTUOFQBUSA-N 2 0 237.347 0.339 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](CO)C1CCCC1 ZINC000395189310 386970970 /nfs/dbraw/zinc/97/09/70/386970970.db2.gz HNTLYAPTGATEMN-OLZOCXBDSA-N 2 0 244.379 0.881 20 0 BCADRP C[C@H](C[NH+](C)C)NC(=O)N(C)CC[NH+](C)C ZINC000358527266 386973731 /nfs/dbraw/zinc/97/37/31/386973731.db2.gz YXCUVYVXSKWPMR-SNVBAGLBSA-N 2 0 230.356 0.140 20 0 BCADRP C[C@@H](C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)[C@H](C)[NH3+] ZINC000368460207 386973843 /nfs/dbraw/zinc/97/38/43/386973843.db2.gz AIPVTHAKRNFLCR-VWYCJHECSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000334930906 387008055 /nfs/dbraw/zinc/00/80/55/387008055.db2.gz BQDURYAMBQFWAW-QWRGUYRKSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)C1CC1 ZINC000368537734 386983994 /nfs/dbraw/zinc/98/39/94/386983994.db2.gz JPLSLOURUJIDOJ-NTZNESFSSA-N 2 0 237.347 0.230 20 0 BCADRP CC[C@]1(C(=O)N2CC[NH2+][C@@H](C)C2)CC[NH2+]C1 ZINC000368565885 386989660 /nfs/dbraw/zinc/98/96/60/386989660.db2.gz DVXVNDLEBSYODO-JQWIXIFHSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH+](C)CCNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000368596909 386992181 /nfs/dbraw/zinc/99/21/81/386992181.db2.gz GCWGSBJQVPZHLY-UHFFFAOYSA-N 2 0 247.342 0.161 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000332605496 386993289 /nfs/dbraw/zinc/99/32/89/386993289.db2.gz BVNPOAZCHOSTBO-BJDJZHNGSA-N 2 0 239.363 0.569 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368648967 386995972 /nfs/dbraw/zinc/99/59/72/386995972.db2.gz YWWYPDLQLVPNFT-VHSXEESVSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)CC[NH2+]1 ZINC000643426048 386996231 /nfs/dbraw/zinc/99/62/31/386996231.db2.gz VSZLHKBIHQXMIA-NEPJUHHUSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000334920883 386997283 /nfs/dbraw/zinc/99/72/83/386997283.db2.gz BOFFHYPHPRCRNU-GHMZBOCLSA-N 2 0 240.351 0.084 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCC[NH3+] ZINC000368687142 387001705 /nfs/dbraw/zinc/00/17/05/387001705.db2.gz IUEQTWBXPMYYFY-MNOVXSKESA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+](C)C ZINC000368684622 387002125 /nfs/dbraw/zinc/00/21/25/387002125.db2.gz VQQHJUPZLJZYOE-WDEREUQCSA-N 2 0 227.352 0.298 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368688297 387002235 /nfs/dbraw/zinc/00/22/35/387002235.db2.gz OJLCOZHRBMNSSH-FIQHERPVSA-N 2 0 237.347 0.182 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)NCC2([NH3+])CCC2)C1 ZINC000334930171 387005341 /nfs/dbraw/zinc/00/53/41/387005341.db2.gz JRJDTJROTBGYPU-SNVBAGLBSA-N 2 0 240.351 0.261 20 0 BCADRP [NH3+]CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000334929122 387005766 /nfs/dbraw/zinc/00/57/66/387005766.db2.gz KJOGSZPYLWMJIO-NWDGAFQWSA-N 2 0 233.315 0.289 20 0 BCADRP [NH3+]Cc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000648111068 386948170 /nfs/dbraw/zinc/94/81/70/386948170.db2.gz SDTAIYUESOCCJD-JLLWLGSASA-N 2 0 231.299 0.834 20 0 BCADRP C[C@H]1C[C@H](C[N@@H+]2CCNC(=O)C2(C)C)CC[NH2+]1 ZINC000334821371 386949679 /nfs/dbraw/zinc/94/96/79/386949679.db2.gz YAEHNNJYBUQUKS-WDEREUQCSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCC[NH2+]1 ZINC000368199742 386951026 /nfs/dbraw/zinc/95/10/26/386951026.db2.gz HFTOUWJLDLGHIC-JBLDHEPKSA-N 2 0 243.326 0.335 20 0 BCADRP C[NH+](C)C1(CNC(=O)N2CC[C@H]([NH3+])C2)CCC1 ZINC000334952774 387030541 /nfs/dbraw/zinc/03/05/41/387030541.db2.gz PPMJPWWXQYBDCB-JTQLQIEISA-N 2 0 240.351 0.213 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000648106318 387030605 /nfs/dbraw/zinc/03/06/05/387030605.db2.gz YTVZHOYIPHHECE-IUCAKERBSA-N 2 0 247.289 0.085 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000126402398 387033875 /nfs/dbraw/zinc/03/38/75/387033875.db2.gz SRLFZJIUQILYHT-NXEZZACHSA-N 2 0 213.325 0.051 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000334955432 387034678 /nfs/dbraw/zinc/03/46/78/387034678.db2.gz HKKKUMSLGKGDEF-MNOVXSKESA-N 2 0 242.367 0.317 20 0 BCADRP C[C@H](C[C@H]1COCC[NH2+]1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000333463045 387037043 /nfs/dbraw/zinc/03/70/43/387037043.db2.gz GXDDRVLYHLVQBV-YVECIDJPSA-N 2 0 241.379 0.613 20 0 BCADRP CC(C)(C)[C@@H]([NH2+]CCC1CC[NH2+]CC1)C(N)=O ZINC000359212832 387066761 /nfs/dbraw/zinc/06/67/61/387066761.db2.gz NOCMTPKFQDTERZ-NSHDSACASA-N 2 0 241.379 0.866 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000334964677 387045138 /nfs/dbraw/zinc/04/51/38/387045138.db2.gz AHSPFDNLNHNWJR-GHMZBOCLSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000648107857 387049401 /nfs/dbraw/zinc/04/94/01/387049401.db2.gz WKXBFRBHBWXVRI-DDHJBXDOSA-N 2 0 239.363 0.522 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)C1CCCC1 ZINC000333672336 387049930 /nfs/dbraw/zinc/04/99/30/387049930.db2.gz YNBOEOWEAQUYNT-NWDGAFQWSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]([NH3+])C1CCC1 ZINC000399067441 387052584 /nfs/dbraw/zinc/05/25/84/387052584.db2.gz KWXYLSUWLUCDNY-GXSJLCMTSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]([NH3+])C1CCC1 ZINC000399067448 387053345 /nfs/dbraw/zinc/05/33/45/387053345.db2.gz KWXYLSUWLUCDNY-MWLCHTKSSA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CCC1 ZINC000648108598 387059427 /nfs/dbraw/zinc/05/94/27/387059427.db2.gz AYJLDQODAHZOST-QMMMGPOBSA-N 2 0 247.289 0.229 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@H]3CCC[NH2+]3)C[C@@H]21 ZINC000648108931 387063696 /nfs/dbraw/zinc/06/36/96/387063696.db2.gz CYNFDDZBUJJBTO-NNYUYHANSA-N 2 0 237.347 0.324 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000334932978 387009090 /nfs/dbraw/zinc/00/90/90/387009090.db2.gz DJIATLXHNGCHHA-WDEREUQCSA-N 2 0 240.351 0.132 20 0 BCADRP O=C([C@H]1CCC[NH2+]1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000648103334 387019332 /nfs/dbraw/zinc/01/93/32/387019332.db2.gz JGMNGZMDXBLDLZ-WDEREUQCSA-N 2 0 223.320 0.091 20 0 BCADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CCCC1 ZINC000053298570 387021968 /nfs/dbraw/zinc/02/19/68/387021968.db2.gz PSYYHDPBYOPHEG-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP CC[N@H+](CCC(=O)N1CC[NH2+]CC1)C(C)C ZINC000053298566 387022548 /nfs/dbraw/zinc/02/25/48/387022548.db2.gz CEDRJWXWKCOQFL-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CCC(C)(C)[NH3+] ZINC000648105249 387023351 /nfs/dbraw/zinc/02/33/51/387023351.db2.gz HRXZPLGPITZUST-UWVGGRQHSA-N 2 0 227.352 0.700 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2CC(=O)NCC2(C)C)CC[NH2+]1 ZINC000334882571 387025689 /nfs/dbraw/zinc/02/56/89/387025689.db2.gz PKUPXOQWRRPMQA-MNOVXSKESA-N 2 0 239.363 0.585 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000359224717 387069449 /nfs/dbraw/zinc/06/94/49/387069449.db2.gz FPYRTWPGYQVEOG-NEPJUHHUSA-N 2 0 239.363 0.729 20 0 BCADRP CC[N@H+](C)CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070256270 387074719 /nfs/dbraw/zinc/07/47/19/387074719.db2.gz LUJMTXYBKKDLPS-LLVKDONJSA-N 2 0 239.363 0.444 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000359252651 387075212 /nfs/dbraw/zinc/07/52/12/387075212.db2.gz YLSZIIPEHLBGEA-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H](NC(=O)NCC1([NH+](C)C)CCC1)[C@H](C)[NH3+] ZINC000418058278 387078891 /nfs/dbraw/zinc/07/88/91/387078891.db2.gz KQWSWXYIKALLTE-VHSXEESVSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)NCC1([NH+](C)C)CCC1 ZINC000418057366 387079558 /nfs/dbraw/zinc/07/95/58/387079558.db2.gz IYRRKMJBYFCTEY-SNVBAGLBSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)NCC1([NH+](C)C)CCC1 ZINC000418064309 387081809 /nfs/dbraw/zinc/08/18/09/387081809.db2.gz UGDYGYRALOIOPL-SNVBAGLBSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H](C(=O)N(C)C)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334995260 387086063 /nfs/dbraw/zinc/08/60/63/387086063.db2.gz YNWKQWJRBKSSLJ-YPMHNXCESA-N 2 0 239.363 0.539 20 0 BCADRP COC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000334995487 387086460 /nfs/dbraw/zinc/08/64/60/387086460.db2.gz GQKBBYLPHUCJJH-JTQLQIEISA-N 2 0 226.320 0.623 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000186264941 387090534 /nfs/dbraw/zinc/09/05/34/387090534.db2.gz QECMRGAARGLFTR-NSHDSACASA-N 2 0 223.320 0.164 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000352341316 387092173 /nfs/dbraw/zinc/09/21/73/387092173.db2.gz WYUQLFQIESEZCJ-QWRGUYRKSA-N 2 0 244.383 0.576 20 0 BCADRP C[C@@H](C(=O)Nc1cnc2c(c1)C[NH2+]CC2)[C@H](C)[NH3+] ZINC000370660998 387131172 /nfs/dbraw/zinc/13/11/72/387131172.db2.gz ZSIJTCFBGZLGRM-BDAKNGLRSA-N 2 0 248.330 0.649 20 0 BCADRP O=C(NCC1=CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000186397430 387099603 /nfs/dbraw/zinc/09/96/03/387099603.db2.gz GKLGTLIATSDHBB-LLVKDONJSA-N 2 0 223.320 0.022 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186495947 387100955 /nfs/dbraw/zinc/10/09/55/387100955.db2.gz BYQZDXJNDKTQEY-ZYHUDNBSSA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H](C[NH3+])CN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423300381 387131697 /nfs/dbraw/zinc/13/16/97/387131697.db2.gz RLSRYZSQRMEVCA-JFGNBEQYSA-N 2 0 211.353 0.654 20 0 BCADRP C[NH+]1CCC(CNC(=O)c2c[nH+]ccc2N)CC1 ZINC000127518547 387107054 /nfs/dbraw/zinc/10/70/54/387107054.db2.gz YCFYIUBMIPUEHY-UHFFFAOYSA-N 2 0 248.330 0.735 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250357754 387114088 /nfs/dbraw/zinc/11/40/88/387114088.db2.gz QCAKRCUKYMGVKX-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000336286747 387119710 /nfs/dbraw/zinc/11/97/10/387119710.db2.gz RFTRZSQRXRKDCJ-ZYHUDNBSSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000186688886 387121796 /nfs/dbraw/zinc/12/17/96/387121796.db2.gz LEYNKUVMDLUJFP-ZYHUDNBSSA-N 2 0 239.363 0.490 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000418361671 387126934 /nfs/dbraw/zinc/12/69/34/387126934.db2.gz ARTCPWIUJQVNGB-QWRGUYRKSA-N 2 0 242.367 0.365 20 0 BCADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CC[C@H]([NH3+])C1 ZINC000335031654 387127219 /nfs/dbraw/zinc/12/72/19/387127219.db2.gz JYDFBJDWLBRKES-NWDGAFQWSA-N 2 0 239.363 0.844 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000367350891 387128732 /nfs/dbraw/zinc/12/87/32/387128732.db2.gz YQFACZQHFHAKBN-JTQLQIEISA-N 2 0 247.342 0.207 20 0 BCADRP C[NH+](C)CC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000359692526 387147663 /nfs/dbraw/zinc/14/76/63/387147663.db2.gz ZDIILGWZITVXSQ-LLVKDONJSA-N 2 0 245.392 0.102 20 0 BCADRP CC[C@@H](Cn1cncn1)[NH2+][C@H](C)CC[NH+](C)C ZINC000353380435 387192807 /nfs/dbraw/zinc/19/28/07/387192807.db2.gz BXYGAEAPCTWPKG-NEPJUHHUSA-N 2 0 239.367 0.987 20 0 BCADRP C[NH+](C)[C@@]1(CNC(=O)C2([NH3+])CC2)CCSC1 ZINC000353211651 387157875 /nfs/dbraw/zinc/15/78/75/387157875.db2.gz IMEGWQUXJRCFHV-SNVBAGLBSA-N 2 0 243.376 0.031 20 0 BCADRP CC[N@H+](C)CCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000085614200 387162956 /nfs/dbraw/zinc/16/29/56/387162956.db2.gz BEGFYRQSENLPMU-SNVBAGLBSA-N 2 0 245.392 0.149 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C[NH2+]C1CC1 ZINC000571760246 387163650 /nfs/dbraw/zinc/16/36/50/387163650.db2.gz OXSMPYCVNCDXAN-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP COCCC[N@H+](CCOC)C[C@@]1(C)CC[NH2+]C1 ZINC000062911905 387173122 /nfs/dbraw/zinc/17/31/22/387173122.db2.gz DPLZWVHRLILAIE-ZDUSSCGKSA-N 2 0 244.379 0.971 20 0 BCADRP C[N@H+](CCO)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371206377 387173116 /nfs/dbraw/zinc/17/31/16/387173116.db2.gz YKEZBSCOUDFVQV-ZDUSSCGKSA-N 2 0 241.379 0.079 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371230833 387177290 /nfs/dbraw/zinc/17/72/90/387177290.db2.gz NKAVIPBFBBBJAX-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000371223739 387177586 /nfs/dbraw/zinc/17/75/86/387177586.db2.gz RTBQHFASJFTTJP-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H](NCC[NH2+]CCOC)[C@@H]1CCC[NH2+]1 ZINC000423334551 387179938 /nfs/dbraw/zinc/17/99/38/387179938.db2.gz PHNDJWXGDJPTKK-NEPJUHHUSA-N 2 0 229.368 0.343 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CC[NH3+] ZINC000418180449 387193708 /nfs/dbraw/zinc/19/37/08/387193708.db2.gz HISALEXXDCMDJX-NSHDSACASA-N 2 0 242.367 0.461 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000371261912 387182958 /nfs/dbraw/zinc/18/29/58/387182958.db2.gz FNTMVNVSWPHLPU-SDDRHHMPSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000371261764 387183192 /nfs/dbraw/zinc/18/31/92/387183192.db2.gz CRMCSGUUJVWIQA-GMTAPVOTSA-N 2 0 225.336 0.419 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062967601 387187835 /nfs/dbraw/zinc/18/78/35/387187835.db2.gz ZGAVTPNDNWNHBA-QWRGUYRKSA-N 2 0 227.352 0.380 20 0 BCADRP CC(C)([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062972888 387189328 /nfs/dbraw/zinc/18/93/28/387189328.db2.gz XWXYKAJSBLXDIV-SNVBAGLBSA-N 2 0 225.336 0.420 20 0 BCADRP C[C@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000423304175 387136628 /nfs/dbraw/zinc/13/66/28/387136628.db2.gz NKGPZKOINXECST-SDDRHHMPSA-N 2 0 223.364 0.953 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000248488855 387138862 /nfs/dbraw/zinc/13/88/62/387138862.db2.gz MPNKOCCDGXTYSA-NOOOWODRSA-N 2 0 239.363 0.665 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000353450589 387204990 /nfs/dbraw/zinc/20/49/90/387204990.db2.gz ORQAKCJDQMGOAR-OUAUKWLOSA-N 2 0 227.352 0.474 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000353463443 387206553 /nfs/dbraw/zinc/20/65/53/387206553.db2.gz VMENRIMTCXETGB-NXEZZACHSA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@H](Cn1cncn1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423357482 387208213 /nfs/dbraw/zinc/20/82/13/387208213.db2.gz ICOATZZRDABEFJ-VXGBXAGGSA-N 2 0 237.351 0.788 20 0 BCADRP COC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)OC ZINC000300418290 387208987 /nfs/dbraw/zinc/20/89/87/387208987.db2.gz MVMGRKJPDCPJBB-MROQNXINSA-N 2 0 244.379 0.966 20 0 BCADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC[NH3+] ZINC000418198007 387212217 /nfs/dbraw/zinc/21/22/17/387212217.db2.gz KSKKOHCBAZRUBU-SNVBAGLBSA-N 2 0 230.356 0.365 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000572156761 387252836 /nfs/dbraw/zinc/25/28/36/387252836.db2.gz XIGCZZBZXSSVGF-SDDRHHMPSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)CC[NH3+] ZINC000418196453 387216642 /nfs/dbraw/zinc/21/66/42/387216642.db2.gz HLAZWEXBYVMURX-MNOVXSKESA-N 2 0 244.383 0.752 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000418203876 387218184 /nfs/dbraw/zinc/21/81/84/387218184.db2.gz WLTJZCVFPDZUGK-QWRGUYRKSA-N 2 0 244.383 0.752 20 0 BCADRP CC[N@H+](C)CCNC(=O)CC1(C[NH3+])CC1 ZINC000423367082 387218153 /nfs/dbraw/zinc/21/81/53/387218153.db2.gz YOQWJBUNWZRDCN-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCCC[NH3+] ZINC000418205924 387220051 /nfs/dbraw/zinc/22/00/51/387220051.db2.gz ZWSSOOVXDQATQL-NSHDSACASA-N 2 0 244.383 0.753 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+](C)CC ZINC000353513198 387220289 /nfs/dbraw/zinc/22/02/89/387220289.db2.gz KRIJDTBLTZJGFI-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP COC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353520987 387220686 /nfs/dbraw/zinc/22/06/86/387220686.db2.gz QPEUVYMFDYCPGN-LPWJVIDDSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H](N[C@H]1C[NH2+]CC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423370054 387222708 /nfs/dbraw/zinc/22/27/08/387222708.db2.gz UBBVCYISOKFXLQ-WYUUTHIRSA-N 2 0 211.353 0.715 20 0 BCADRP Cn1cc(C[NH2+]CCOCC[NH+](C)C)cn1 ZINC000230004749 387223499 /nfs/dbraw/zinc/22/34/99/387223499.db2.gz XXNUUQZQPJXUPZ-UHFFFAOYSA-N 2 0 226.324 0.088 20 0 BCADRP C[C@H]([NH3+])C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000353574840 387228767 /nfs/dbraw/zinc/22/87/67/387228767.db2.gz DFEVBKWXABMSIF-DCAQKATOSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000353576587 387234392 /nfs/dbraw/zinc/23/43/92/387234392.db2.gz IATRZYLTNVMNRC-IUCAKERBSA-N 2 0 222.292 0.811 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423398857 387235836 /nfs/dbraw/zinc/23/58/36/387235836.db2.gz UIRAZIQCDUGPOT-RHYQMDGZSA-N 2 0 211.353 0.796 20 0 BCADRP CC[NH2+][C@H](C)CN[C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423403738 387240004 /nfs/dbraw/zinc/24/00/04/387240004.db2.gz ZLKMWRIXPDOICO-TUAOUCFPSA-N 2 0 229.368 0.341 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423408293 387242494 /nfs/dbraw/zinc/24/24/94/387242494.db2.gz XFBIRXWCIYHHTQ-WZRBSPASSA-N 2 0 239.363 0.585 20 0 BCADRP CC[N@H+](CCNC(=O)[C@H]([NH3+])C1CCC1)C(C)C ZINC000423406813 387244510 /nfs/dbraw/zinc/24/45/10/387244510.db2.gz VCHUCMZVRGHTEI-GFCCVEGCSA-N 2 0 241.379 0.960 20 0 BCADRP COC[C@]1(C[NH2+][C@H](C)CCCC[NH3+])CCC[NH2+]1 ZINC000423412580 387246384 /nfs/dbraw/zinc/24/63/84/387246384.db2.gz IAZBOLVDMFEBHB-CHWSQXEVSA-N 3 0 243.395 0.862 20 0 BCADRP COC[C@@]1(C[NH2+][C@@H](C)CCCC[NH3+])CCC[NH2+]1 ZINC000423412583 387246485 /nfs/dbraw/zinc/24/64/85/387246485.db2.gz IAZBOLVDMFEBHB-STQMWFEESA-N 3 0 243.395 0.862 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)CC1(C[NH3+])CC1 ZINC000423408764 387247228 /nfs/dbraw/zinc/24/72/28/387247228.db2.gz XXXLFWIZUKVGIU-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)C[N@@H+]1C1CC1 ZINC000423419715 387247823 /nfs/dbraw/zinc/24/78/23/387247823.db2.gz AMHVNOFOUKLEGO-MIJXAVMKSA-N 2 0 249.358 0.480 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000162040064 387249554 /nfs/dbraw/zinc/24/95/54/387249554.db2.gz AYEYRUHJTMUZHD-NEPJUHHUSA-N 2 0 237.347 0.293 20 0 BCADRP C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCCC[NH2+]1 ZINC000423422011 387250760 /nfs/dbraw/zinc/25/07/60/387250760.db2.gz CGMKALKMMDBKSM-PREPNJAASA-N 2 0 209.337 0.324 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)C1CC1 ZINC000423347776 387198318 /nfs/dbraw/zinc/19/83/18/387198318.db2.gz RBKBZAVHJMMNJP-WZRBSPASSA-N 2 0 237.347 0.195 20 0 BCADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000353423057 387200128 /nfs/dbraw/zinc/20/01/28/387200128.db2.gz CQQNLSFQLUKACM-TUAOUCFPSA-N 2 0 239.363 0.474 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])C1CCC1)C1CC1 ZINC000423349207 387200183 /nfs/dbraw/zinc/20/01/83/387200183.db2.gz WCHBVIBMBZWDKL-VXGBXAGGSA-N 2 0 239.363 0.570 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000423464264 387312760 /nfs/dbraw/zinc/31/27/60/387312760.db2.gz QOGSAAAFVVLHJL-WDEREUQCSA-N 2 0 229.368 0.722 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423465547 387313094 /nfs/dbraw/zinc/31/30/94/387313094.db2.gz WOOCNPLQHLSWDK-JQWIXIFHSA-N 2 0 241.379 0.995 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000423464263 387313210 /nfs/dbraw/zinc/31/32/10/387313210.db2.gz QOGSAAAFVVLHJL-QWRGUYRKSA-N 2 0 229.368 0.722 20 0 BCADRP C[C@@H](CC1CC1)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000643500152 387314573 /nfs/dbraw/zinc/31/45/73/387314573.db2.gz FNSMEIZRJQWWNE-JTQLQIEISA-N 2 0 225.336 0.196 20 0 BCADRP CC[NH+](CC)CC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000372595156 387315224 /nfs/dbraw/zinc/31/52/24/387315224.db2.gz YFJKCUOUOHCYBA-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000423467327 387315487 /nfs/dbraw/zinc/31/54/87/387315487.db2.gz DQICVUHWZGEZHE-AXFHLTTASA-N 2 0 247.333 0.913 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188185009 387256109 /nfs/dbraw/zinc/25/61/09/387256109.db2.gz CJPFZKZRUSRACL-INTQDDNPSA-N 2 0 243.326 0.272 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423378700 387259981 /nfs/dbraw/zinc/25/99/81/387259981.db2.gz MQOIIVXBHODTLL-IRCOFANPSA-N 2 0 211.353 0.667 20 0 BCADRP CC[NH2+][C@H](C)CN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000423382344 387265717 /nfs/dbraw/zinc/26/57/17/387265717.db2.gz OJSIRGXFHRMHIG-TUAOUCFPSA-N 2 0 213.369 0.914 20 0 BCADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCN1CCCC1=O ZINC000352511880 387268935 /nfs/dbraw/zinc/26/89/35/387268935.db2.gz UCDLKMPKGBRVIW-LBPRGKRZSA-N 2 0 239.363 0.812 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000645684891 387269464 /nfs/dbraw/zinc/26/94/64/387269464.db2.gz LXDGDUHNVNKYNB-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000645684894 387270250 /nfs/dbraw/zinc/27/02/50/387270250.db2.gz LXDGDUHNVNKYNB-ZJUUUORDSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+][C@H](C)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000423387837 387271939 /nfs/dbraw/zinc/27/19/39/387271939.db2.gz KEWAWQUWCVOZFK-WHOHXGKFSA-N 2 0 213.369 0.913 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000372119028 387274434 /nfs/dbraw/zinc/27/44/34/387274434.db2.gz UFAJKKKWVWSGSJ-RYUDHWBXSA-N 2 0 245.342 0.568 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000572246137 387278738 /nfs/dbraw/zinc/27/87/38/387278738.db2.gz PHCMHIOLXOYVMV-NSHDSACASA-N 2 0 239.363 0.573 20 0 BCADRP O=C(N1CC[N@@H+]2CCC[C@@H]2C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423392336 387279007 /nfs/dbraw/zinc/27/90/07/387279007.db2.gz QFIYQSPKMRTAHL-WZRBSPASSA-N 2 0 235.331 0.045 20 0 BCADRP CC1([NH3+])CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000648120600 387280627 /nfs/dbraw/zinc/28/06/27/387280627.db2.gz IEYIHWDDQHSMAB-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000514732457 387281970 /nfs/dbraw/zinc/28/19/70/387281970.db2.gz IWSUGQBQVVRXMS-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000572257671 387288068 /nfs/dbraw/zinc/28/80/68/387288068.db2.gz ZUMGEDRHPCNBAR-FRRDWIJNSA-N 2 0 241.379 0.303 20 0 BCADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000423438554 387288577 /nfs/dbraw/zinc/28/85/77/387288577.db2.gz VAUPXQNCFWQKOJ-CYDGBPFRSA-N 2 0 242.363 0.362 20 0 BCADRP CC[C@]1(C(=O)NCC[NH2+]C2CC2)CC[NH2+]C1 ZINC000360467459 387290890 /nfs/dbraw/zinc/29/08/90/387290890.db2.gz QOEKEPPZORSPRJ-LBPRGKRZSA-N 2 0 225.336 0.244 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@@H](C[NH2+]C)C2)CC[NH2+]C1 ZINC000360465648 387291221 /nfs/dbraw/zinc/29/12/21/387291221.db2.gz GSRRZSBJNUXTGJ-AAEUAGOBSA-N 2 0 239.363 0.444 20 0 BCADRP CC[C@H]([NH3+])CN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000423441200 387291401 /nfs/dbraw/zinc/29/14/01/387291401.db2.gz AZVSATVIWNAVTD-OUAUKWLOSA-N 2 0 211.353 0.939 20 0 BCADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000423442672 387292601 /nfs/dbraw/zinc/29/26/01/387292601.db2.gz ZJWURIWNFZJGAW-PQFRYHKHSA-N 2 0 247.342 0.829 20 0 BCADRP COC[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000121077467 387293618 /nfs/dbraw/zinc/29/36/18/387293618.db2.gz HGHLFKPGYAZVJG-STQMWFEESA-N 2 0 243.395 0.494 20 0 BCADRP COC[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000121077958 387293991 /nfs/dbraw/zinc/29/39/91/387293991.db2.gz HGHLFKPGYAZVJG-CHWSQXEVSA-N 2 0 243.395 0.494 20 0 BCADRP C[C@H]([NH3+])[C@H](C)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000423448552 387296812 /nfs/dbraw/zinc/29/68/12/387296812.db2.gz QKMPTDQMMJPGNE-WDCWCFNPSA-N 2 0 211.353 0.794 20 0 BCADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000423448551 387297185 /nfs/dbraw/zinc/29/71/85/387297185.db2.gz QKMPTDQMMJPGNE-QFOLPQNPSA-N 2 0 211.353 0.794 20 0 BCADRP C[C@@H](NC(=O)C1(C)C[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000423452203 387300330 /nfs/dbraw/zinc/30/03/30/387300330.db2.gz YUZOLYYAAGAWII-SNVBAGLBSA-N 2 0 241.379 0.688 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000514865435 387301369 /nfs/dbraw/zinc/30/13/69/387301369.db2.gz UWKANUWXIDWLQF-IJLUTSLNSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000572287976 387307555 /nfs/dbraw/zinc/30/75/55/387307555.db2.gz ZRACBEAQAZIKLN-GMXVVIOVSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H]1CCC[NH2+]C1)[C@H](C)[NH3+] ZINC000423460934 387308159 /nfs/dbraw/zinc/30/81/59/387308159.db2.gz BVEPDLDKKSXMDC-GARJFASQSA-N 2 0 227.352 0.474 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000354291773 387356432 /nfs/dbraw/zinc/35/64/32/387356432.db2.gz PEJNUMALFPYHOH-NWDGAFQWSA-N 2 0 239.363 0.537 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH3+])[C@H](C)[NH3+] ZINC000423531047 387357502 /nfs/dbraw/zinc/35/75/02/387357502.db2.gz QAJCMRGIQHFTFP-KXUCPTDWSA-N 2 0 215.341 0.459 20 0 BCADRP C[C@H](C[NH3+])NC(=O)c1c[nH+]ccc1N(C)C ZINC000423541576 387365234 /nfs/dbraw/zinc/36/52/34/387365234.db2.gz SFVVFMVKVNQMQQ-MRVPVSSYSA-N 2 0 222.292 0.225 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000373425829 387367409 /nfs/dbraw/zinc/36/74/09/387367409.db2.gz GRCBCWCEWMGEGW-NQBHXWOUSA-N 2 0 237.347 0.196 20 0 BCADRP COCC[N@@H+]1CC[C@@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000423544421 387368087 /nfs/dbraw/zinc/36/80/87/387368087.db2.gz CZZUSDIUWYTGML-QWHCGFSZSA-N 2 0 241.379 0.439 20 0 BCADRP CC[C@H](NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]1 ZINC000423543979 387368989 /nfs/dbraw/zinc/36/89/89/387368989.db2.gz CASCHKNQZHBCDB-SRVKXCTJSA-N 2 0 227.352 0.095 20 0 BCADRP C[C@H](N[C@H]1CCCC[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000423552391 387371899 /nfs/dbraw/zinc/37/18/99/387371899.db2.gz JVLBCMVZHPALMA-SDDRHHMPSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H](N[C@H]1CCCC[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000423552396 387372121 /nfs/dbraw/zinc/37/21/21/387372121.db2.gz JVLBCMVZHPALMA-WOPDTQHZSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H](C[C@H]1COCCN1)[NH2+]CCC[NH2+]C1CC1 ZINC000423554192 387372207 /nfs/dbraw/zinc/37/22/07/387372207.db2.gz LKRNSWLWSGEORK-AAEUAGOBSA-N 2 0 241.379 0.485 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000515383176 387373274 /nfs/dbraw/zinc/37/32/74/387373274.db2.gz VAPCBSJTHDGEPX-RKDXNWHRSA-N 2 0 201.314 0.226 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000515383174 387373339 /nfs/dbraw/zinc/37/33/39/387373339.db2.gz VAPCBSJTHDGEPX-DTWKUNHWSA-N 2 0 201.314 0.226 20 0 BCADRP C[C@H](NC[C@H]1C[NH2+]CCO1)[C@@H]1CCCC[NH2+]1 ZINC000423571219 387380334 /nfs/dbraw/zinc/38/03/34/387380334.db2.gz NGSPENQVFLFISB-TUAOUCFPSA-N 2 0 227.352 0.095 20 0 BCADRP C[C@@H](NC[C@H]1C[NH2+]CCO1)[C@H]1CCCC[NH2+]1 ZINC000423571215 387380827 /nfs/dbraw/zinc/38/08/27/387380827.db2.gz NGSPENQVFLFISB-IJLUTSLNSA-N 2 0 227.352 0.095 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NCCC[NH2+]C1CC1 ZINC000423572704 387380856 /nfs/dbraw/zinc/38/08/56/387380856.db2.gz YOTFTBCJPDEFES-PWSUYJOCSA-N 2 0 211.353 0.716 20 0 BCADRP CC[C@H]1C(=O)NCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000396672018 387381999 /nfs/dbraw/zinc/38/19/99/387381999.db2.gz RTEUDFRQKHRXLM-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H](N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000423473885 387320122 /nfs/dbraw/zinc/32/01/22/387320122.db2.gz GYIYMBHUGIFJHO-GUBZILKMSA-N 2 0 233.306 0.714 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[NH2+]C1 ZINC000418391413 387323831 /nfs/dbraw/zinc/32/38/31/387323831.db2.gz VLOIEXYOGSXWFT-UWVGGRQHSA-N 2 0 228.340 0.021 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000515060727 387328439 /nfs/dbraw/zinc/32/84/39/387328439.db2.gz JVUIERIICMHQRQ-SCVCMEIPSA-N 2 0 227.352 0.557 20 0 BCADRP COC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C(C)C ZINC000423485374 387331569 /nfs/dbraw/zinc/33/15/69/387331569.db2.gz APHYWDZGAGIUMG-VXGBXAGGSA-N 2 0 230.352 0.626 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]([NH3+])C1CC1)[C@H](C)[NH3+] ZINC000423488086 387333610 /nfs/dbraw/zinc/33/36/10/387333610.db2.gz YHCGBGPAWJHHGH-LSJOCFKGSA-N 2 0 227.352 0.459 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000423488415 387333907 /nfs/dbraw/zinc/33/39/07/387333907.db2.gz YWLMHGKIKKVPKW-NSHDSACASA-N 2 0 248.330 0.615 20 0 BCADRP C[NH+](C)C[C@@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC000336508962 387334620 /nfs/dbraw/zinc/33/46/20/387334620.db2.gz HIJHGCBTTAUQAY-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)[C@H]1C[C@H]1C ZINC000423490851 387335875 /nfs/dbraw/zinc/33/58/75/387335875.db2.gz IQTVEXQFSUPROK-WYUUTHIRSA-N 2 0 212.337 0.999 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000354143476 387337025 /nfs/dbraw/zinc/33/70/25/387337025.db2.gz NKKXYCQSRWJUQD-LLVKDONJSA-N 2 0 227.352 0.539 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336559307 387383261 /nfs/dbraw/zinc/38/32/61/387383261.db2.gz DRJAFJLYVRGSSG-RYUDHWBXSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@H](NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCCC[NH2+]1 ZINC000423494650 387338783 /nfs/dbraw/zinc/33/87/83/387338783.db2.gz SMUZLIZSLCUSPQ-XQQFMLRXSA-N 2 0 241.379 0.485 20 0 BCADRP C[C@@H](NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCCC[NH2+]1 ZINC000423494649 387338861 /nfs/dbraw/zinc/33/88/61/387338861.db2.gz SMUZLIZSLCUSPQ-UPJWGTAASA-N 2 0 241.379 0.485 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000373028086 387343262 /nfs/dbraw/zinc/34/32/62/387343262.db2.gz HZKLTHUXYXVSKW-WOPDTQHZSA-N 2 0 239.363 0.666 20 0 BCADRP C[NH2+]CCCN(C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000515235881 387351551 /nfs/dbraw/zinc/35/15/51/387351551.db2.gz KWRARIJZZQKTJG-UHFFFAOYSA-N 2 0 241.339 0.305 20 0 BCADRP COCC[N@@H+]1CC[C@@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000643501248 387352680 /nfs/dbraw/zinc/35/26/80/387352680.db2.gz AWHPBNBNMIKHKH-QWHCGFSZSA-N 2 0 241.379 0.439 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000423785383 387425659 /nfs/dbraw/zinc/42/56/59/387425659.db2.gz SYQKALCHCSYHLB-SRVKXCTJSA-N 2 0 241.379 0.912 20 0 BCADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH3+] ZINC000423789536 387427573 /nfs/dbraw/zinc/42/75/73/387427573.db2.gz ATPSPIFRADBZBG-LLVKDONJSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000423814164 387431486 /nfs/dbraw/zinc/43/14/86/387431486.db2.gz GJUARTLQUHYCFD-ZYHUDNBSSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000515842917 387432964 /nfs/dbraw/zinc/43/29/64/387432964.db2.gz IBAAPGJZHZJQCC-JQWIXIFHSA-N 2 0 227.352 0.620 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000515840721 387433338 /nfs/dbraw/zinc/43/33/38/387433338.db2.gz XCNSGLJVZNJBTF-GMXVVIOVSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423844574 387433393 /nfs/dbraw/zinc/43/33/93/387433393.db2.gz JDQPQCHMQXOTHW-NXEZZACHSA-N 2 0 227.352 0.522 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000423848655 387433806 /nfs/dbraw/zinc/43/38/06/387433806.db2.gz OHXFDLHBVRMIOM-LBPRGKRZSA-N 2 0 241.379 0.912 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423991800 387461556 /nfs/dbraw/zinc/46/15/56/387461556.db2.gz FKEWSDSBEPFHEM-NEPJUHHUSA-N 2 0 241.379 0.772 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423981449 387462087 /nfs/dbraw/zinc/46/20/87/387462087.db2.gz XAIJRQSEYNFKMA-BJDJZHNGSA-N 2 0 239.363 0.807 20 0 BCADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000423953210 387457172 /nfs/dbraw/zinc/45/71/72/387457172.db2.gz AXSUTXGEAXXRRB-GRYCIOLGSA-N 2 0 239.363 0.666 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000423974749 387459854 /nfs/dbraw/zinc/45/98/54/387459854.db2.gz LDFILNOEFPLSRH-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP CC[NH+](CC)CC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000423976626 387459898 /nfs/dbraw/zinc/45/98/98/387459898.db2.gz MUUULFZPJUAAIS-VHSXEESVSA-N 2 0 213.325 0.134 20 0 BCADRP C[NH2+][C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000423627113 387389862 /nfs/dbraw/zinc/38/98/62/387389862.db2.gz HWFUGOFADOUISC-VIFPVBQESA-N 2 0 232.287 0.672 20 0 BCADRP C[NH+](C)CC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000423631719 387390264 /nfs/dbraw/zinc/39/02/64/387390264.db2.gz HJROJOMKJZKPGI-UHFFFAOYSA-N 2 0 241.379 0.916 20 0 BCADRP CC[NH2+]CCCNC(=O)NC[C@@H](C)[NH2+]CC ZINC000515522671 387390286 /nfs/dbraw/zinc/39/02/86/387390286.db2.gz INQFENIXTRBLMX-SNVBAGLBSA-N 2 0 230.356 0.283 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423657230 387392315 /nfs/dbraw/zinc/39/23/15/387392315.db2.gz YJOOPUCGRFTBGK-UWVGGRQHSA-N 2 0 213.325 0.276 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423657229 387392427 /nfs/dbraw/zinc/39/24/27/387392427.db2.gz YJOOPUCGRFTBGK-NXEZZACHSA-N 2 0 213.325 0.276 20 0 BCADRP C[NH+](C)CC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423667580 387393499 /nfs/dbraw/zinc/39/34/99/387393499.db2.gz UMNMSKLPJUNNBH-XYPYZODXSA-N 2 0 227.352 0.429 20 0 BCADRP CCC[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH3+])[NH+](C)C ZINC000423672544 387393738 /nfs/dbraw/zinc/39/37/38/387393738.db2.gz DXGFDVUGDCWNES-KXUCPTDWSA-N 2 0 215.341 0.569 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000423685749 387397110 /nfs/dbraw/zinc/39/71/10/387397110.db2.gz SVJBRLMXEMVJFI-GUBZILKMSA-N 2 0 215.341 0.459 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C12CCC[NH+]1CCC2 ZINC000423687061 387399393 /nfs/dbraw/zinc/39/93/93/387399393.db2.gz VEZVLCACVDWHQJ-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC000572402454 387399773 /nfs/dbraw/zinc/39/97/73/387399773.db2.gz NIVXMZSJNUTESD-RKDXNWHRSA-N 2 0 213.325 0.180 20 0 BCADRP COCCN(CC[NH+](C)C)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000423750629 387408768 /nfs/dbraw/zinc/40/87/68/387408768.db2.gz XWSMLRWXWXDIII-QWRGUYRKSA-N 2 0 245.367 0.006 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)C[NH3+] ZINC000423751953 387409878 /nfs/dbraw/zinc/40/98/78/387409878.db2.gz AIDYCFYVTASSIP-QWRGUYRKSA-N 2 0 229.368 0.818 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000423970275 387460798 /nfs/dbraw/zinc/46/07/98/387460798.db2.gz FUYPFUVODRWKQA-ZJUUUORDSA-N 2 0 227.352 0.557 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH2+]1 ZINC000423765970 387411255 /nfs/dbraw/zinc/41/12/55/387411255.db2.gz CCMJXMIASFSURC-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000423764078 387415646 /nfs/dbraw/zinc/41/56/46/387415646.db2.gz WQHRNIYYCOPJQC-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC[NH3+] ZINC000423769236 387417895 /nfs/dbraw/zinc/41/78/95/387417895.db2.gz GAZDSRMHUALZBO-NWDGAFQWSA-N 2 0 239.363 0.811 20 0 BCADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000361220318 387418171 /nfs/dbraw/zinc/41/81/71/387418171.db2.gz KINHRNPLTTUNIM-YNEHKIRRSA-N 2 0 243.395 0.635 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000423776979 387422284 /nfs/dbraw/zinc/42/22/84/387422284.db2.gz QXOFSAXHCHZMAC-UTUOFQBUSA-N 2 0 239.363 0.809 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000423776983 387422581 /nfs/dbraw/zinc/42/25/81/387422581.db2.gz QXOFSAXHCHZMAC-WOPDTQHZSA-N 2 0 239.363 0.809 20 0 BCADRP Cc1cn[nH]c1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000352810092 387501954 /nfs/dbraw/zinc/50/19/54/387501954.db2.gz LJLQNDUOMSPFEP-UHFFFAOYSA-N 2 0 238.335 0.264 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000648110423 387502450 /nfs/dbraw/zinc/50/24/50/387502450.db2.gz JGNWGZHLXQCQIC-SNVBAGLBSA-N 2 0 225.336 0.149 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000355327929 387518491 /nfs/dbraw/zinc/51/84/91/387518491.db2.gz WUJWOIREXRFEFK-VXGBXAGGSA-N 2 0 230.352 0.267 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N(C)CC[NH+](C)C ZINC000516968339 387520838 /nfs/dbraw/zinc/52/08/38/387520838.db2.gz AMBUEHWQUGGPMQ-ZJUUUORDSA-N 2 0 230.356 0.315 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)CC[NH+](C)C ZINC000516968338 387520878 /nfs/dbraw/zinc/52/08/78/387520878.db2.gz AMBUEHWQUGGPMQ-VHSXEESVSA-N 2 0 230.356 0.315 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000355327467 387521541 /nfs/dbraw/zinc/52/15/41/387521541.db2.gz WUJWOIREXRFEFK-RYUDHWBXSA-N 2 0 230.352 0.267 20 0 BCADRP C[NH+](C)C(C)(C)CNc1cc[nH+]cc1C(N)=O ZINC000527190424 387523307 /nfs/dbraw/zinc/52/33/07/387523307.db2.gz PKJVCOWUOIASGK-UHFFFAOYSA-N 2 0 236.319 0.355 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000361724730 387526613 /nfs/dbraw/zinc/52/66/13/387526613.db2.gz APXMZVAPVHSHEK-TUAOUCFPSA-N 2 0 237.347 0.420 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000375423472 387538750 /nfs/dbraw/zinc/53/87/50/387538750.db2.gz BMXXLUMVMZIUCY-DCAQKATOSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](C(=O)N(C)[C@@H]1CCC[NH2+]CC1)[C@H](C)[NH3+] ZINC000375423474 387539093 /nfs/dbraw/zinc/53/90/93/387539093.db2.gz BMXXLUMVMZIUCY-OUAUKWLOSA-N 2 0 227.352 0.570 20 0 BCADRP CC[NH+](CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423991805 387462731 /nfs/dbraw/zinc/46/27/31/387462731.db2.gz FKEWSDSBEPFHEM-VXGBXAGGSA-N 2 0 241.379 0.772 20 0 BCADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH3+] ZINC000424001802 387463820 /nfs/dbraw/zinc/46/38/20/387463820.db2.gz IBRKSAJFECTQHY-JTQLQIEISA-N 2 0 213.325 0.278 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000423997943 387464146 /nfs/dbraw/zinc/46/41/46/387464146.db2.gz MABJEPWHWUAXAH-NWDGAFQWSA-N 2 0 241.379 0.772 20 0 BCADRP C[C@H](C(=O)N(C)CC[NH3+])[NH+]1CCCCCC1 ZINC000424003579 387464257 /nfs/dbraw/zinc/46/42/57/387464257.db2.gz LKUZRAXOIKNBSF-LLVKDONJSA-N 2 0 227.352 0.668 20 0 BCADRP CC[C@H](C(=O)N(C)CC[NH3+])[NH+](CC)CC ZINC000424003131 387464346 /nfs/dbraw/zinc/46/43/46/387464346.db2.gz KASVYLRKSDAYAQ-SNVBAGLBSA-N 2 0 215.341 0.524 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000424007347 387465843 /nfs/dbraw/zinc/46/58/43/387465843.db2.gz VGRGZBPXHCQTEH-VXGBXAGGSA-N 2 0 241.379 0.770 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC000424021540 387468576 /nfs/dbraw/zinc/46/85/76/387468576.db2.gz RKIMUCCUWOMFFY-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000424021899 387468798 /nfs/dbraw/zinc/46/87/98/387468798.db2.gz SECOHWCAAROUFL-LLVKDONJSA-N 2 0 229.368 0.641 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)[NH+](C)C ZINC000424047321 387470415 /nfs/dbraw/zinc/47/04/15/387470415.db2.gz UISCCZSTPGPNRC-IJLUTSLNSA-N 2 0 241.379 0.829 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424045170 387470643 /nfs/dbraw/zinc/47/06/43/387470643.db2.gz MEDYKFIAWMJRMG-OUAUKWLOSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424047815 387470763 /nfs/dbraw/zinc/47/07/63/387470763.db2.gz XLYYMZOPVAOXNF-FXPVBKGRSA-N 2 0 225.336 0.384 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000355059504 387471979 /nfs/dbraw/zinc/47/19/79/387471979.db2.gz MSGLJSYWKYJUJL-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H](O)C[N@H+](C)C/C=C\C[NH+](C)C[C@H](C)O ZINC000361499870 387473878 /nfs/dbraw/zinc/47/38/78/387473878.db2.gz WOQQEXFDSULKBT-DLXAAPBESA-N 2 0 230.352 0.168 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCC[NH2+]C1CC1 ZINC000643507196 387474644 /nfs/dbraw/zinc/47/46/44/387474644.db2.gz VNVFJIJJSVVZSB-GXFFZTMASA-N 2 0 223.364 0.811 20 0 BCADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCC[NH2+]C1CC1 ZINC000643507195 387475388 /nfs/dbraw/zinc/47/53/88/387475388.db2.gz VNVFJIJJSVVZSB-GWCFXTLKSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@H]1C[C@H](NCC[NH2+]C2CC2)C[N@@H+]1C1CC1 ZINC000643507033 387476163 /nfs/dbraw/zinc/47/61/63/387476163.db2.gz QHDRALUKWTWPNE-JQWIXIFHSA-N 2 0 223.364 0.953 20 0 BCADRP Cc1cnn(CC[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000304437639 387480738 /nfs/dbraw/zinc/48/07/38/387480738.db2.gz URNWZZSMETZMPP-NWDGAFQWSA-N 2 0 222.336 0.861 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1NCC[NH2+]C1CC1 ZINC000643508269 387481644 /nfs/dbraw/zinc/48/16/44/387481644.db2.gz ZSOAKIAFOMBDCS-NEPJUHHUSA-N 2 0 211.353 0.988 20 0 BCADRP [NH3+][C@H]1CCCCC[C@@H]1NCC[NH2+]C1CC1 ZINC000643508271 387481652 /nfs/dbraw/zinc/48/16/52/387481652.db2.gz ZSOAKIAFOMBDCS-RYUDHWBXSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000375835766 387586433 /nfs/dbraw/zinc/58/64/33/387586433.db2.gz YUMALGQHHJNHJH-LMLFDSFASA-N 2 0 225.336 0.167 20 0 BCADRP CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC[NH3+] ZINC000375848632 387587446 /nfs/dbraw/zinc/58/74/46/387587446.db2.gz LFTMRJUSFLDXCP-NWDGAFQWSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H]1C[C@H]([N@H+](C)CCOCCO)CCN1C ZINC000123703101 387591781 /nfs/dbraw/zinc/59/17/81/387591781.db2.gz KSHFMARJOHHYHU-VXGBXAGGSA-N 2 0 230.352 0.410 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000238032003 387591739 /nfs/dbraw/zinc/59/17/39/387591739.db2.gz DYUOKWUQACPJCI-NSHDSACASA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCN1CCOCC1 ZINC000123715977 387592462 /nfs/dbraw/zinc/59/24/62/387592462.db2.gz COZGDFRLWKYAQQ-ZDUSSCGKSA-N 2 0 243.395 0.624 20 0 BCADRP CCC[C@H]([NH3+])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000362278420 387593051 /nfs/dbraw/zinc/59/30/51/387593051.db2.gz JVIYSYJIAGKVNY-NSHDSACASA-N 2 0 248.330 0.793 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422539392 387597492 /nfs/dbraw/zinc/59/74/92/387597492.db2.gz KGKMBWSUIREEFD-RHYQMDGZSA-N 2 0 241.379 0.674 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422538818 387597601 /nfs/dbraw/zinc/59/76/01/387597601.db2.gz JCIBEFMNZDGYDL-YFKTTZPYSA-N 2 0 241.379 0.946 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000527532215 387597694 /nfs/dbraw/zinc/59/76/94/387597694.db2.gz KITVXQIRIXHUJY-OUAUKWLOSA-N 2 0 209.337 0.740 20 0 BCADRP C([NH2+][C@@H]1CCC[NH2+]CC1)C12CC(C1)CO2 ZINC000527531599 387600692 /nfs/dbraw/zinc/60/06/92/387600692.db2.gz HYLUSCYKLOSVAQ-MOENNCHZSA-N 2 0 210.321 0.897 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000583694911 387600969 /nfs/dbraw/zinc/60/09/69/387600969.db2.gz RSGSSOKJVFDHQJ-VHSXEESVSA-N 2 0 215.341 0.617 20 0 BCADRP C[NH+](C)CCCCNC(=O)C1([NH3+])CCCC1 ZINC000041679583 387605557 /nfs/dbraw/zinc/60/55/57/387605557.db2.gz RCRUCMSDXQSKBX-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)NC(C)(C)CC[NH3+] ZINC000422604423 387605678 /nfs/dbraw/zinc/60/56/78/387605678.db2.gz BSUVLURSHXKEHB-SNVBAGLBSA-N 2 0 244.383 0.786 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422603799 387605922 /nfs/dbraw/zinc/60/59/22/387605922.db2.gz ADFSFYYMYVYADX-WDEREUQCSA-N 2 0 242.367 0.317 20 0 BCADRP CCC[NH2+]CCNC(=O)NC(C)(C)CC[NH3+] ZINC000422610706 387607689 /nfs/dbraw/zinc/60/76/89/387607689.db2.gz QJRRIGDLJIZPAW-UHFFFAOYSA-N 2 0 230.356 0.413 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422614451 387607767 /nfs/dbraw/zinc/60/77/67/387607767.db2.gz YQVCKGUWZKYXKO-WDEREUQCSA-N 2 0 242.367 0.459 20 0 BCADRP CC[N@H+](C)C[C@@H]1CCN(CC(=O)N2CCC2)C1 ZINC000362398560 387609006 /nfs/dbraw/zinc/60/90/06/387609006.db2.gz UIMXIRBXWBZSJI-LBPRGKRZSA-N 2 0 239.363 0.492 20 0 BCADRP C[NH2+]CCCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422631770 387610236 /nfs/dbraw/zinc/61/02/36/387610236.db2.gz FXICPZMPNUTUFC-TUAOUCFPSA-N 2 0 213.369 0.901 20 0 BCADRP CC[N@@H+]1CC[C@H](CN[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422687716 387612630 /nfs/dbraw/zinc/61/26/30/387612630.db2.gz BYKASLQYIHTPCT-YNEHKIRRSA-N 2 0 225.380 0.916 20 0 BCADRP COCCN1CCC[C@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000422707622 387620435 /nfs/dbraw/zinc/62/04/35/387620435.db2.gz WSOQINRXDDGKKF-OLZOCXBDSA-N 2 0 243.395 0.814 20 0 BCADRP CC[N@H+](C)CCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422709764 387623908 /nfs/dbraw/zinc/62/39/08/387623908.db2.gz DYVZCSNMEMYVIW-OLZOCXBDSA-N 2 0 241.379 0.295 20 0 BCADRP CC(C)[C@H](C(=O)N[C@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000376387294 387626507 /nfs/dbraw/zinc/62/65/07/387626507.db2.gz PVNDSYHQHFXGMO-NWDGAFQWSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000422038868 387544935 /nfs/dbraw/zinc/54/49/35/387544935.db2.gz QSDGLYUZQHBILJ-NWDGAFQWSA-N 2 0 241.379 0.879 20 0 BCADRP CC[N@H+](CCO)CC[C@H]1CCC[NH+]1C ZINC000305685274 387627163 /nfs/dbraw/zinc/62/71/63/387627163.db2.gz PPVPSPXXXKCQDL-LLVKDONJSA-N 2 0 200.326 0.785 20 0 BCADRP C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCC[NH2+]C1 ZINC000527534023 387627265 /nfs/dbraw/zinc/62/72/65/387627265.db2.gz ZCNXPCWUPHAEFK-NWDGAFQWSA-N 2 0 223.364 0.860 20 0 BCADRP CC1(C)COCCN1CC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422716971 387627540 /nfs/dbraw/zinc/62/75/40/387627540.db2.gz VBEWELUKZXXHDK-NEPJUHHUSA-N 2 0 241.379 0.567 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)[C@H](C)[NH3+] ZINC000399640653 387564011 /nfs/dbraw/zinc/56/40/11/387564011.db2.gz KCBGKNDBRBCNHM-SRVKXCTJSA-N 2 0 241.379 0.816 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000038042292 387569983 /nfs/dbraw/zinc/56/99/83/387569983.db2.gz PZZWQFRSXOVIAT-RYUDHWBXSA-N 2 0 241.379 0.962 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NCC(=O)NCC1CC1 ZINC000430556898 387628019 /nfs/dbraw/zinc/62/80/19/387628019.db2.gz LSAONUUOIDEEDY-GFCCVEGCSA-N 2 0 227.352 0.476 20 0 BCADRP CC[N@H+](C)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422718186 387630523 /nfs/dbraw/zinc/63/05/23/387630523.db2.gz PGTNJPUUJBFXEP-RYUDHWBXSA-N 2 0 213.369 0.916 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000430607018 387632242 /nfs/dbraw/zinc/63/22/42/387632242.db2.gz AZTIWDFLEWIBBJ-DGCLKSJQSA-N 2 0 249.358 0.967 20 0 BCADRP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422719479 387633441 /nfs/dbraw/zinc/63/34/41/387633441.db2.gz YGAAFWSSAGWNIW-ZRUFSTJUSA-N 2 0 200.326 0.863 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000430607016 387633678 /nfs/dbraw/zinc/63/36/78/387633678.db2.gz AZTIWDFLEWIBBJ-AAEUAGOBSA-N 2 0 249.358 0.967 20 0 BCADRP O=C(C[NH2+]CC1CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000376453204 387634654 /nfs/dbraw/zinc/63/46/54/387634654.db2.gz CRTLYAPZUZRUNX-NEPJUHHUSA-N 2 0 237.347 0.196 20 0 BCADRP CC[NH+](CC)CCCN[C@@H](C)C1C[NH2+]C1 ZINC000422726200 387636965 /nfs/dbraw/zinc/63/69/65/387636965.db2.gz DKHYTOXBCNKLIV-NSHDSACASA-N 2 0 213.369 0.916 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)C(C)(C)C[NH3+] ZINC000044751397 387694893 /nfs/dbraw/zinc/69/48/93/387694893.db2.gz BIOMEUKVERTOSP-UHFFFAOYSA-N 2 0 229.368 0.675 20 0 BCADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+]CC1CC1)C1CC1 ZINC000430696679 387640321 /nfs/dbraw/zinc/64/03/21/387640321.db2.gz QVLUYYBAVNVOQS-LBPRGKRZSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H](CN[C@H]1CC[NH2+]CC[C@H]1C)[NH+](C)C ZINC000422734824 387644087 /nfs/dbraw/zinc/64/40/87/387644087.db2.gz CZZGNRMMELYPSI-WOPDTQHZSA-N 2 0 213.369 0.914 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000422739585 387645780 /nfs/dbraw/zinc/64/57/80/387645780.db2.gz ADKFQFPQJANTLH-VIFPVBQESA-N 2 0 234.303 0.239 20 0 BCADRP C[NH2+]CC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000430749853 387646280 /nfs/dbraw/zinc/64/62/80/387646280.db2.gz XQBUVZPRLSIDPC-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP C[NH2+]CC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000430749854 387647026 /nfs/dbraw/zinc/64/70/26/387647026.db2.gz XQBUVZPRLSIDPC-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH+](C)C[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])c1ccccc1 ZINC000424134951 387648556 /nfs/dbraw/zinc/64/85/56/387648556.db2.gz LGTPQDRBWRFVLJ-FRRDWIJNSA-N 2 0 247.342 0.753 20 0 BCADRP NC(=O)C1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCCC1 ZINC000422740216 387648831 /nfs/dbraw/zinc/64/88/31/387648831.db2.gz BCFQGCDJZBLEHL-QWRGUYRKSA-N 2 0 239.363 0.749 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)C[NH2+]1 ZINC000356371893 387649726 /nfs/dbraw/zinc/64/97/26/387649726.db2.gz HHSCLEIEYKYYCB-YTWAJWBKSA-N 2 0 225.336 0.323 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)[NH3+])[C@H](C)C1 ZINC000430802806 387651004 /nfs/dbraw/zinc/65/10/04/387651004.db2.gz OFXGRIOYBZKCSS-WOPDTQHZSA-N 2 0 241.379 0.912 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH3+])C[C@@H]1C ZINC000430803586 387654184 /nfs/dbraw/zinc/65/41/84/387654184.db2.gz VMHHSFZWILSKJN-WDEREUQCSA-N 2 0 227.352 0.666 20 0 BCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CC[NH3+])C1 ZINC000430809262 387654914 /nfs/dbraw/zinc/65/49/14/387654914.db2.gz PGYSQJRHFQPRSE-GFCCVEGCSA-N 2 0 239.363 0.526 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430896927 387657818 /nfs/dbraw/zinc/65/78/18/387657818.db2.gz LRKJVBATWGHPFJ-CMPLNLGQSA-N 2 0 239.363 0.537 20 0 BCADRP CN(C(=O)CCC[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430899809 387659200 /nfs/dbraw/zinc/65/92/00/387659200.db2.gz NMRFWPMFIOZUSZ-NSHDSACASA-N 2 0 225.336 0.420 20 0 BCADRP C[NH2+]CC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000430893650 387659692 /nfs/dbraw/zinc/65/96/92/387659692.db2.gz JWHOXBOTPWUPJD-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C3COC3)C2)CC1 ZINC000367234504 387659854 /nfs/dbraw/zinc/65/98/54/387659854.db2.gz PJUIFULEFLXBRU-NSHDSACASA-N 2 0 239.363 0.143 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000430921945 387660702 /nfs/dbraw/zinc/66/07/02/387660702.db2.gz VXYCHVSSJFGENO-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H](C[NH3+])N(C)CCC(=O)NC1CCCC1 ZINC000430970214 387664958 /nfs/dbraw/zinc/66/49/58/387664958.db2.gz GNGPAJYTVYKOHH-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC(C)(C)N1CCOCC1 ZINC000422765961 387666696 /nfs/dbraw/zinc/66/66/96/387666696.db2.gz WOHOQZPSOXIIKS-VXGBXAGGSA-N 2 0 243.395 0.813 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000431022323 387670100 /nfs/dbraw/zinc/67/01/00/387670100.db2.gz NICAIGMHNQUEJZ-GUBZILKMSA-N 2 0 225.336 0.465 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000431022325 387670551 /nfs/dbraw/zinc/67/05/51/387670551.db2.gz NICAIGMHNQUEJZ-LPEHRKFASA-N 2 0 225.336 0.465 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C(C)(C)C[NH3+])C[N@@H+]1C1CC1 ZINC000431027952 387671046 /nfs/dbraw/zinc/67/10/46/387671046.db2.gz ZPAHDVCCEIZOHM-NXEZZACHSA-N 2 0 239.363 0.713 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000422776223 387672059 /nfs/dbraw/zinc/67/20/59/387672059.db2.gz CHSPKKGKACDZMW-NSHDSACASA-N 2 0 227.352 0.620 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)C[NH2+]CC1CC1 ZINC000431051475 387672806 /nfs/dbraw/zinc/67/28/06/387672806.db2.gz PDNSMNVDLHRLFL-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC000422778291 387674403 /nfs/dbraw/zinc/67/44/03/387674403.db2.gz HIKNRMJYJPATIA-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424139007 387674991 /nfs/dbraw/zinc/67/49/91/387674991.db2.gz DRTYCTNMYTYPDW-ZDCRXTMVSA-N 2 0 223.320 0.029 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000431061289 387675979 /nfs/dbraw/zinc/67/59/79/387675979.db2.gz JVLVJJZMYIBXPC-RYUDHWBXSA-N 2 0 239.363 0.811 20 0 BCADRP CCC[C@H](C(=O)NCC[NH2+]C)[NH+](C)C ZINC000422780127 387678262 /nfs/dbraw/zinc/67/82/62/387678262.db2.gz JWOPPAYXKMRWMQ-SECBINFHSA-N 2 0 201.314 0.052 20 0 BCADRP COCCC[N@H+](C)CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422785325 387682555 /nfs/dbraw/zinc/68/25/55/387682555.db2.gz QVEOMKTZDYBQKV-NWDGAFQWSA-N 2 0 229.368 0.424 20 0 BCADRP CC[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC000422784485 387683307 /nfs/dbraw/zinc/68/33/07/387683307.db2.gz MGVSZBQQDPGYAH-UHFFFAOYSA-N 2 0 225.336 0.341 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000376984496 387683674 /nfs/dbraw/zinc/68/36/74/387683674.db2.gz ASDVNDMLVNVENC-ZYHUDNBSSA-N 2 0 227.352 0.762 20 0 BCADRP CCCCNC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514422 387684825 /nfs/dbraw/zinc/68/48/25/387684825.db2.gz KGSRUQZYKROQGI-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP COCCC[N@H+](C)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000422787279 387686661 /nfs/dbraw/zinc/68/66/61/387686661.db2.gz UMNJASSIMBJYSK-STQMWFEESA-N 2 0 243.395 0.672 20 0 BCADRP COCCC[N@H+](C)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422787277 387686831 /nfs/dbraw/zinc/68/68/31/387686831.db2.gz UMNJASSIMBJYSK-OLZOCXBDSA-N 2 0 243.395 0.672 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@@H]1NCCC[NH+](C)C ZINC000422742953 387688424 /nfs/dbraw/zinc/68/84/24/387688424.db2.gz HJQUWHPLFREFLI-NEPJUHHUSA-N 2 0 213.369 0.916 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000422744181 387690034 /nfs/dbraw/zinc/69/00/34/387690034.db2.gz SKSOKIUJVJNKSJ-NQBHXWOUSA-N 2 0 223.364 0.811 20 0 BCADRP C[C@@H](N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422743553 387690698 /nfs/dbraw/zinc/69/06/98/387690698.db2.gz RSALLRSFYKULGN-NQBHXWOUSA-N 2 0 223.364 0.953 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000422744179 387691044 /nfs/dbraw/zinc/69/10/44/387691044.db2.gz SKSOKIUJVJNKSJ-MDZLAQPJSA-N 2 0 223.364 0.811 20 0 BCADRP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@@H]2[NH3+])CCCC1 ZINC000424142963 387743357 /nfs/dbraw/zinc/74/33/57/387743357.db2.gz VQYZIOYQDVMKCL-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](NCC[N@@H+]1CCC[C@H](C)C1)C1C[NH2+]C1 ZINC000422862207 387743945 /nfs/dbraw/zinc/74/39/45/387743945.db2.gz PISMDUHMYFMUJG-NWDGAFQWSA-N 2 0 225.380 0.916 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000422863440 387747255 /nfs/dbraw/zinc/74/72/55/387747255.db2.gz PBFGXSLBVOPQSH-QWRGUYRKSA-N 2 0 239.363 0.749 20 0 BCADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422871841 387750246 /nfs/dbraw/zinc/75/02/46/387750246.db2.gz ZUFQTKIMYPIRBR-FRRDWIJNSA-N 3 0 243.395 0.813 20 0 BCADRP CCC[C@H](C(=O)NCC(C)(C)[NH3+])[NH+](C)C ZINC000422874819 387751776 /nfs/dbraw/zinc/75/17/76/387751776.db2.gz DHNFZGCZSUZSPJ-SECBINFHSA-N 2 0 215.341 0.570 20 0 BCADRP CO[C@@H](C)[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000128631343 387752362 /nfs/dbraw/zinc/75/23/62/387752362.db2.gz PYYCLVQBMZRGAP-STQMWFEESA-N 2 0 243.395 0.637 20 0 BCADRP C[C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000377346120 387709638 /nfs/dbraw/zinc/70/96/38/387709638.db2.gz ONHCLKRDISVZSR-SKDRFNHKSA-N 2 0 243.326 0.287 20 0 BCADRP COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000127336261 387711893 /nfs/dbraw/zinc/71/18/93/387711893.db2.gz VQLCFBYGTNJVSP-QJPTWQEYSA-N 2 0 230.352 0.408 20 0 BCADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[C@H](C)[NH3+] ZINC000422815410 387715034 /nfs/dbraw/zinc/71/50/34/387715034.db2.gz BMSARJWCPROCHC-WHOHXGKFSA-N 2 0 241.379 0.815 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000431656998 387724624 /nfs/dbraw/zinc/72/46/24/387724624.db2.gz FVJIBGZWBFIWMQ-YFKTTZPYSA-N 2 0 237.347 0.467 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[NH2+][C@H](C)C1)[C@@H](C)[NH3+] ZINC000422832782 387725615 /nfs/dbraw/zinc/72/56/15/387725615.db2.gz FYKASYDBYVBKKS-GMTAPVOTSA-N 2 0 227.352 0.426 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367617554 387734482 /nfs/dbraw/zinc/73/44/82/387734482.db2.gz QPEUVYMFDYCPGN-LOWDOPEQSA-N 2 0 242.363 0.456 20 0 BCADRP C[C@@H](C(=O)N[C@@H](C)CC[NH+](C)C)C1C[NH2+]C1 ZINC000129189029 387764119 /nfs/dbraw/zinc/76/41/19/387764119.db2.gz FCBNUSGAMKPGOA-VHSXEESVSA-N 2 0 227.352 0.298 20 0 BCADRP COCC[N@@H+]1CC[C@@H](N[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422892906 387764310 /nfs/dbraw/zinc/76/43/10/387764310.db2.gz ZSDWLCWJDGTOBS-UPJWGTAASA-N 2 0 241.379 0.437 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000129189211 387764645 /nfs/dbraw/zinc/76/46/45/387764645.db2.gz FCBNUSGAMKPGOA-NXEZZACHSA-N 2 0 227.352 0.298 20 0 BCADRP C[C@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])C(C)(C)C[NH+](C)C ZINC000424145408 387764742 /nfs/dbraw/zinc/76/47/42/387764742.db2.gz NMQZZCINGDDDPK-AEJSXWLSSA-N 2 0 227.352 0.426 20 0 BCADRP C[C@H](CC(N)=O)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000129284519 387766364 /nfs/dbraw/zinc/76/63/64/387766364.db2.gz YTBJIQMEKJBCIB-OUAUKWLOSA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1(C)C[NH2+]C1 ZINC000422897850 387766776 /nfs/dbraw/zinc/76/67/76/387766776.db2.gz KIWKECPZOXMASS-JTQLQIEISA-N 2 0 227.352 0.428 20 0 BCADRP COCC[N@H+](C)CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422904540 387767494 /nfs/dbraw/zinc/76/74/94/387767494.db2.gz GXMACHKFKSENJC-VXGBXAGGSA-N 2 0 229.368 0.152 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCC[N@@H+]1C ZINC000422908556 387769270 /nfs/dbraw/zinc/76/92/70/387769270.db2.gz YQJDENBXVDVLJQ-IJLUTSLNSA-N 2 0 211.353 0.668 20 0 BCADRP O=C([C@H]1CCC[NH2+]C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000378167633 387770191 /nfs/dbraw/zinc/77/01/91/387770191.db2.gz BGRWIRSZRAAHNC-TUAOUCFPSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000441623564 387770709 /nfs/dbraw/zinc/77/07/09/387770709.db2.gz IADMRQLDLUTYBY-IJLUTSLNSA-N 2 0 241.379 0.995 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000422924089 387776880 /nfs/dbraw/zinc/77/68/80/387776880.db2.gz XQGVVBLIFRGXOW-AEJSXWLSSA-N 2 0 225.336 0.465 20 0 BCADRP CC[C@@H]([NH2+]CCCC(=O)NC)[C@@H]1CCC[NH2+]1 ZINC000422936427 387782723 /nfs/dbraw/zinc/78/27/23/387782723.db2.gz BPPALARHSUFCOK-MNOVXSKESA-N 2 0 227.352 0.633 20 0 BCADRP CC[C@H](C)[N@H+](C)CCN[C@H](C)C1C[NH2+]C1 ZINC000422901819 387787318 /nfs/dbraw/zinc/78/73/18/387787318.db2.gz CLDNGECAJUVUDL-WDEREUQCSA-N 2 0 213.369 0.914 20 0 BCADRP CC(C)[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422986589 387796134 /nfs/dbraw/zinc/79/61/34/387796134.db2.gz CVCFFVQEUZNTRO-IJLUTSLNSA-N 2 0 214.353 0.981 20 0 BCADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193639547 387798236 /nfs/dbraw/zinc/79/82/36/387798236.db2.gz NACZGKGFOFYYJN-GWOFURMSSA-N 2 0 227.352 0.617 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000051694730 387800155 /nfs/dbraw/zinc/80/01/55/387800155.db2.gz GEVYUZODZZZQRQ-SFXRXQKFSA-N 2 0 227.352 0.746 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)NCCC[NH2+]C ZINC000418301843 387803906 /nfs/dbraw/zinc/80/39/06/387803906.db2.gz ADCBXXZAPZSXJC-SNVBAGLBSA-N 2 0 230.356 0.413 20 0 BCADRP C[C@H]([NH3+])C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000309477575 387804395 /nfs/dbraw/zinc/80/43/95/387804395.db2.gz SGIKBYFQVKEGEJ-IZJGZUANSA-N 2 0 211.309 0.075 20 0 BCADRP C[NH2+]CCCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418301849 387804517 /nfs/dbraw/zinc/80/45/17/387804517.db2.gz AFAKZSQYXJYZKW-LLVKDONJSA-N 2 0 242.367 0.413 20 0 BCADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H](C)[NH3+] ZINC000643526922 387759682 /nfs/dbraw/zinc/75/96/82/387759682.db2.gz HQIDEHMUBMUOGF-GHMZBOCLSA-N 2 0 210.325 0.845 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@H]1C ZINC000424144278 387760207 /nfs/dbraw/zinc/76/02/07/387760207.db2.gz KYYKAPCSAGVKNZ-YFKTTZPYSA-N 2 0 239.363 0.665 20 0 BCADRP C[C@H](NC[C@@H](O)C[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422973252 387821779 /nfs/dbraw/zinc/82/17/79/387821779.db2.gz BONYSBUMJWHZMV-TUAOUCFPSA-N 2 0 229.368 0.029 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000424156333 387823298 /nfs/dbraw/zinc/82/32/98/387823298.db2.gz OWMCBNSZBDYPFZ-UHRVGPHTSA-N 2 0 237.347 0.356 20 0 BCADRP CC(C)[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422975783 387825895 /nfs/dbraw/zinc/82/58/95/387825895.db2.gz HGYYRCZODYCSJJ-HBNTYKKESA-N 2 0 200.326 0.863 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000433161477 387873033 /nfs/dbraw/zinc/87/30/33/387873033.db2.gz XWDADLFFPQWKMO-NSHDSACASA-N 2 0 241.379 0.995 20 0 BCADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H](C)CO ZINC000423005882 387828125 /nfs/dbraw/zinc/82/81/25/387828125.db2.gz NKOHLSXJTRPROM-GMXVVIOVSA-N 2 0 222.332 0.915 20 0 BCADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCC[NH2+]C)C[C@H]1C ZINC000418324175 387831501 /nfs/dbraw/zinc/83/15/01/387831501.db2.gz HGXBTCBCRMQIKL-GHMZBOCLSA-N 2 0 242.367 0.330 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000423010297 387833398 /nfs/dbraw/zinc/83/33/98/387833398.db2.gz XKHNECMVCMHBDO-MNOVXSKESA-N 2 0 220.320 0.963 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424159412 387839893 /nfs/dbraw/zinc/83/98/93/387839893.db2.gz SPMIGJFCQIFPLJ-UTUOFQBUSA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000070502766 387840019 /nfs/dbraw/zinc/84/00/19/387840019.db2.gz JQUFIXBPFBQGJB-WDEREUQCSA-N 2 0 225.336 0.326 20 0 BCADRP CC(C)[C@H](C[NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061644082 387842768 /nfs/dbraw/zinc/84/27/68/387842768.db2.gz OBVFOPDFXFLNJC-RYUDHWBXSA-N 2 0 241.379 0.770 20 0 BCADRP C[C@@H](NC[C@]1(O)CC[N@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423033442 387848266 /nfs/dbraw/zinc/84/82/66/387848266.db2.gz GRQNZEXYXHDOEF-JHJVBQTASA-N 2 0 241.379 0.173 20 0 BCADRP C[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423033444 387849624 /nfs/dbraw/zinc/84/96/24/387849624.db2.gz GRQNZEXYXHDOEF-UPJWGTAASA-N 2 0 241.379 0.173 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000433165559 387873991 /nfs/dbraw/zinc/87/39/91/387873991.db2.gz CIBRQLAQOODPPL-GRYCIOLGSA-N 2 0 239.363 0.570 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(C)[C@@H]1C ZINC000423037158 387850575 /nfs/dbraw/zinc/85/05/75/387850575.db2.gz VLGQJHAKZAGNLG-FRRDWIJNSA-N 3 0 243.395 0.813 20 0 BCADRP C[C@@H]1CCNC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000423036447 387851796 /nfs/dbraw/zinc/85/17/96/387851796.db2.gz UASDBGHJVKSRGG-GHMZBOCLSA-N 2 0 212.337 0.737 20 0 BCADRP CC1=CC[N@H+](CCNC2CC[NH2+]CC2)CC1 ZINC000423036720 387851811 /nfs/dbraw/zinc/85/18/11/387851811.db2.gz LJXUTGPHZMTZBZ-UHFFFAOYSA-N 2 0 223.364 0.980 20 0 BCADRP CC1=CC[N@H+](CCN[C@@H]2CC[NH2+]C2)CC1 ZINC000423039761 387853165 /nfs/dbraw/zinc/85/31/65/387853165.db2.gz ROENLICDDOLDDV-GFCCVEGCSA-N 2 0 209.337 0.590 20 0 BCADRP C[C@H]1C[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C[N@@H+]1C1CC1 ZINC000643537564 387874172 /nfs/dbraw/zinc/87/41/72/387874172.db2.gz LTQMSUYWXIRTEM-BJDJZHNGSA-N 2 0 241.354 0.901 20 0 BCADRP [NH3+]C1CC[NH+](CCCC(=O)NC2CC2)CC1 ZINC000433158676 387874196 /nfs/dbraw/zinc/87/41/96/387874196.db2.gz BTMLLTOFPFTQMQ-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP CCOC(CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)OCC ZINC000193637911 387858293 /nfs/dbraw/zinc/85/82/93/387858293.db2.gz ODHZQXBRPUBIFB-TXEJJXNPSA-N 2 0 242.363 0.879 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000433110876 387866497 /nfs/dbraw/zinc/86/64/97/387866497.db2.gz CLOFBEBTNKIDNY-SNVBAGLBSA-N 2 0 227.352 0.605 20 0 BCADRP CC(C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433130011 387867810 /nfs/dbraw/zinc/86/78/10/387867810.db2.gz QCMUNYZIMLRGBJ-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000423065810 387870361 /nfs/dbraw/zinc/87/03/61/387870361.db2.gz CMVNRLUWLAJDBX-QWHCGFSZSA-N 3 0 243.395 0.542 20 0 BCADRP C[C@@H]1CC[C@@H](C[N@@H+]2CCCO[C@H](C[NH3+])C2)O1 ZINC000313335799 387870723 /nfs/dbraw/zinc/87/07/23/387870723.db2.gz BSVHGJTVEPWUPX-GRYCIOLGSA-N 2 0 228.336 0.604 20 0 BCADRP C[C@H]([NH3+])CN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000442656081 387814316 /nfs/dbraw/zinc/81/43/16/387814316.db2.gz DLVYBSPEKWZWSI-NWDGAFQWSA-N 2 0 249.362 0.724 20 0 BCADRP CC[NH+](CC)CCN(CCOC)C[C@@H](C)[NH3+] ZINC000442664976 387816285 /nfs/dbraw/zinc/81/62/85/387816285.db2.gz XZSBSYSCWBTDOT-GFCCVEGCSA-N 2 0 231.384 0.624 20 0 BCADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424154236 387816402 /nfs/dbraw/zinc/81/64/02/387816402.db2.gz LGWJFRZEQNOSHT-QCNOEVLYSA-N 2 0 239.363 0.570 20 0 BCADRP CC[NH+](CC)CCN(CCOC)C[C@H](C)[NH3+] ZINC000442664981 387816386 /nfs/dbraw/zinc/81/63/86/387816386.db2.gz XZSBSYSCWBTDOT-LBPRGKRZSA-N 2 0 231.384 0.624 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@H+]1CC=CCC1 ZINC000392920130 387817008 /nfs/dbraw/zinc/81/70/08/387817008.db2.gz JGEMSQDTPUVQTA-QWRGUYRKSA-N 2 0 225.336 0.348 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000564065220 387817267 /nfs/dbraw/zinc/81/72/67/387817267.db2.gz UPTIDWIRNDDBPC-MVWJERBFSA-N 2 0 239.363 0.618 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000424180895 387893559 /nfs/dbraw/zinc/89/35/59/387893559.db2.gz WRKJEEUTIMUJPT-WDEREUQCSA-N 2 0 247.298 0.454 20 0 BCADRP CC(C)[C@H](CO)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423113618 387896170 /nfs/dbraw/zinc/89/61/70/387896170.db2.gz URDDIACRLQAHNO-DCAQKATOSA-N 2 0 200.326 0.720 20 0 BCADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424181701 387896861 /nfs/dbraw/zinc/89/68/61/387896861.db2.gz RYKFVIFYEGHEGG-USZNOCQGSA-N 2 0 237.347 0.276 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000424182698 387897207 /nfs/dbraw/zinc/89/72/07/387897207.db2.gz ZVHCXVZFVXWLEN-SDDRHHMPSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537237 387874964 /nfs/dbraw/zinc/87/49/64/387874964.db2.gz BOHUJULCLFQLRP-MPPDQPJWSA-N 2 0 241.354 0.759 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000433175592 387877226 /nfs/dbraw/zinc/87/72/26/387877226.db2.gz MJIDXNUKEMGGDY-NWDGAFQWSA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+][C@H]1CCCCC[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538657 387877246 /nfs/dbraw/zinc/87/72/46/387877246.db2.gz QYBPMWUVBVQBAT-BJDJZHNGSA-N 2 0 229.343 0.936 20 0 BCADRP CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCNCC1(F)F ZINC000424175110 387877965 /nfs/dbraw/zinc/87/79/65/387877965.db2.gz NFCAADVXTULSNW-IUCAKERBSA-N 2 0 249.305 0.475 20 0 BCADRP CCC[C@@H]([NH3+])C(=O)NC[C@H]1CCNCC1(F)F ZINC000424175111 387878093 /nfs/dbraw/zinc/87/80/93/387878093.db2.gz NFCAADVXTULSNW-RKDXNWHRSA-N 2 0 249.305 0.475 20 0 BCADRP C[C@@H](NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000643538251 387878401 /nfs/dbraw/zinc/87/84/01/387878401.db2.gz CIKDSYBYQAVNON-RHYQMDGZSA-N 2 0 229.343 0.807 20 0 BCADRP CCOC1CC(O)(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000423086141 387880966 /nfs/dbraw/zinc/88/09/66/387880966.db2.gz LJYUMCJDKAOAAI-GMKTYKIGSA-N 2 0 242.363 0.633 20 0 BCADRP CCOC(=O)C1([C@@H](C)[NH2+]CCF)CC[NH2+]CC1 ZINC000423093255 387883279 /nfs/dbraw/zinc/88/32/79/387883279.db2.gz GTJAQCAGASPINZ-SNVBAGLBSA-N 2 0 246.326 0.867 20 0 BCADRP OCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157939473 387885850 /nfs/dbraw/zinc/88/58/50/387885850.db2.gz RHWNFUPQQNRWHW-VXGBXAGGSA-N 2 0 212.337 0.975 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000645755655 387886047 /nfs/dbraw/zinc/88/60/47/387886047.db2.gz TUZLMOPVQILJGA-GXSJLCMTSA-N 2 0 237.347 0.337 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000645755657 387886481 /nfs/dbraw/zinc/88/64/81/387886481.db2.gz TUZLMOPVQILJGA-MWLCHTKSSA-N 2 0 237.347 0.337 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000645755658 387886569 /nfs/dbraw/zinc/88/65/69/387886569.db2.gz TUZLMOPVQILJGA-ONGXEEELSA-N 2 0 237.347 0.337 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000423116664 387898741 /nfs/dbraw/zinc/89/87/41/387898741.db2.gz QXOBSBBEGDVMIN-YFKTTZPYSA-N 2 0 239.363 0.855 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000236612086 387899346 /nfs/dbraw/zinc/89/93/46/387899346.db2.gz HODOISKYSUYXDQ-VIFPVBQESA-N 2 0 225.336 0.230 20 0 BCADRP CC[NH2+]CCNC(=O)C(CC)(CC)C[NH3+] ZINC000236887278 387910486 /nfs/dbraw/zinc/91/04/86/387910486.db2.gz CLDMRHHMQBJFPM-UHFFFAOYSA-N 2 0 215.341 0.477 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)CC1CC[NH2+]CC1 ZINC000237070511 387915832 /nfs/dbraw/zinc/91/58/32/387915832.db2.gz RAKFEGPPGDQLGK-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)CCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418344786 387916524 /nfs/dbraw/zinc/91/65/24/387916524.db2.gz KXKQERNCBYLEGE-LLVKDONJSA-N 2 0 242.367 0.237 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H]2CC[NH2+]C2)CCCCCC1 ZINC000237833383 387929556 /nfs/dbraw/zinc/92/95/56/387929556.db2.gz XZEYIHSXTSJVAH-NSHDSACASA-N 2 0 239.363 0.764 20 0 BCADRP [NH3+]C1(C(=O)NC[C@H]2CCC[NH2+]C2)CCCC1 ZINC000237801117 387929623 /nfs/dbraw/zinc/92/96/23/387929623.db2.gz BEYLXSWJRZHFDU-JTQLQIEISA-N 2 0 225.336 0.374 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCCCO)CC[N@@H+]1C ZINC000158151723 387934760 /nfs/dbraw/zinc/93/47/60/387934760.db2.gz XRPTUNGOCMCTMM-WDEREUQCSA-N 2 0 200.326 0.831 20 0 BCADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000424217949 387935239 /nfs/dbraw/zinc/93/52/39/387935239.db2.gz PKLFHNCJSACPDC-IJLUTSLNSA-N 2 0 239.363 0.762 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000237931453 387927510 /nfs/dbraw/zinc/92/75/10/387927510.db2.gz DHBJQTMPYDSTFI-GHMZBOCLSA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)CC1CC[NH2+]CC1 ZINC000237821345 387927701 /nfs/dbraw/zinc/92/77/01/387927701.db2.gz ADQAPDMFROQFMA-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+]C[C@H]1CCC[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000237810359 387928687 /nfs/dbraw/zinc/92/86/87/387928687.db2.gz VJFIYOBYSMEZAW-VXGBXAGGSA-N 2 0 239.363 0.620 20 0 BCADRP CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423158310 387938341 /nfs/dbraw/zinc/93/83/41/387938341.db2.gz NXOHJXNYLMOKNG-ZDEQEGDKSA-N 2 0 242.363 0.768 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418355908 387939379 /nfs/dbraw/zinc/93/93/79/387939379.db2.gz BSTZYHMRJMNNQU-QWRGUYRKSA-N 2 0 242.367 0.411 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000392248846 387945807 /nfs/dbraw/zinc/94/58/07/387945807.db2.gz SRTXUGMFAJZVCL-STQMWFEESA-N 2 0 223.364 0.965 20 0 BCADRP COC(=O)CC1CC([NH2+]CCC[NH+](C)C)C1 ZINC000424267359 387946294 /nfs/dbraw/zinc/94/62/94/387946294.db2.gz YCAMTJRKRWDPEK-UHFFFAOYSA-N 2 0 228.336 0.869 20 0 BCADRP CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)CCCC[NH3+] ZINC000423166072 387950614 /nfs/dbraw/zinc/95/06/14/387950614.db2.gz CDUCIWPXWUAHIS-GARJFASQSA-N 2 0 216.325 0.507 20 0 BCADRP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000453037069 387966790 /nfs/dbraw/zinc/96/67/90/387966790.db2.gz OUBMZLYFYBHAOK-SDDRHHMPSA-N 2 0 237.347 0.243 20 0 BCADRP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000453037062 387966977 /nfs/dbraw/zinc/96/69/77/387966977.db2.gz OUBMZLYFYBHAOK-QJPTWQEYSA-N 2 0 237.347 0.243 20 0 BCADRP [NH3+]C1(c2noc(CC3C[NH2+]C3)n2)CCCCC1 ZINC000424336090 387979003 /nfs/dbraw/zinc/97/90/03/387979003.db2.gz ILSGQXJUCYFSKD-UHFFFAOYSA-N 2 0 236.319 0.950 20 0 BCADRP COc1ccc(C[C@H](C)[NH2+]CCC[NH3+])cn1 ZINC000423196013 387981586 /nfs/dbraw/zinc/98/15/86/387981586.db2.gz UHNWYOCBXJZMIZ-JTQLQIEISA-N 2 0 223.320 0.960 20 0 BCADRP COCC[N@@H+]1CC[C@@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000423196949 387981686 /nfs/dbraw/zinc/98/16/86/387981686.db2.gz XAAPJVBOPYMSQY-NWDGAFQWSA-N 2 0 227.352 0.049 20 0 BCADRP C[NH2+]CCCN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000423201269 387988229 /nfs/dbraw/zinc/98/82/29/387988229.db2.gz OGSCVBBTMPMLRY-WDEREUQCSA-N 2 0 211.353 0.811 20 0 BCADRP FC1(F)CNCC[C@@H]1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000424364192 387989644 /nfs/dbraw/zinc/98/96/44/387989644.db2.gz DBFFKPOVKTZIID-GHMZBOCLSA-N 2 0 247.333 0.820 20 0 BCADRP C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CCC[NH2+]1 ZINC000424373259 387995995 /nfs/dbraw/zinc/99/59/95/387995995.db2.gz JGUQTMLMNJLIOI-WHOHXGKFSA-N 2 0 211.353 0.986 20 0 BCADRP C[NH2+]CCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000423200567 387985722 /nfs/dbraw/zinc/98/57/22/387985722.db2.gz MPOKJXITYDNHQT-IJLUTSLNSA-N 2 0 213.369 0.914 20 0 BCADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)C1(C)CC1 ZINC000423199500 387986706 /nfs/dbraw/zinc/98/67/06/387986706.db2.gz BRLDPRKZZAVGDS-LLVKDONJSA-N 2 0 211.353 0.670 20 0 BCADRP COCC(C)(C)[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000424374405 387998619 /nfs/dbraw/zinc/99/86/19/387998619.db2.gz YZXOXUIARQMPAB-UHFFFAOYSA-N 2 0 243.395 0.766 20 0 BCADRP C[C@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)[C@H]1CCC[NH2+]1 ZINC000424382317 388001601 /nfs/dbraw/zinc/00/16/01/388001601.db2.gz SADYGJSRXQFUQZ-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645889489 388006661 /nfs/dbraw/zinc/00/66/61/388006661.db2.gz LLHKRUSUVVLDEE-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP C[NH+](C)[C@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000446280510 388010143 /nfs/dbraw/zinc/01/01/43/388010143.db2.gz IPWRLLLEKWYRQL-HBNTYKKESA-N 2 0 243.326 0.143 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424471963 388013901 /nfs/dbraw/zinc/01/39/01/388013901.db2.gz UDDAWOUMVZBJIE-IVZWLZJFSA-N 2 0 228.340 0.293 20 0 BCADRP C[NH2+]CCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423237677 388021066 /nfs/dbraw/zinc/02/10/66/388021066.db2.gz DMGVKGPUSQACKD-AAEUAGOBSA-N 2 0 221.348 0.754 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000082280860 388022110 /nfs/dbraw/zinc/02/21/10/388022110.db2.gz GCTFHCBPRPABMH-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000423256154 388037547 /nfs/dbraw/zinc/03/75/47/388037547.db2.gz BISHUBWNVGECCL-QWRGUYRKSA-N 2 0 239.367 0.847 20 0 BCADRP CO[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254889 388037566 /nfs/dbraw/zinc/03/75/66/388037566.db2.gz ZVQDDLJYPGRZGT-AXFHLTTASA-N 2 0 200.326 0.999 20 0 BCADRP COCC[N@@H+]1CC[C@H](N[C@@H](C[NH3+])CC(C)C)C1 ZINC000423257922 388037914 /nfs/dbraw/zinc/03/79/14/388037914.db2.gz ASNHBGLNSFKRTQ-QWHCGFSZSA-N 2 0 243.395 0.670 20 0 BCADRP CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000246279256 388027360 /nfs/dbraw/zinc/02/73/60/388027360.db2.gz MLEGKSPFFVTAAA-CMPLNLGQSA-N 2 0 243.326 0.289 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000645892954 388029258 /nfs/dbraw/zinc/02/92/58/388029258.db2.gz RMBPNFILPLTRPL-GHMZBOCLSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000423273858 388053515 /nfs/dbraw/zinc/05/35/15/388053515.db2.gz LJHARLDLDJPFJF-LNFKQOIKSA-N 2 0 200.326 0.997 20 0 BCADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000423274880 388054961 /nfs/dbraw/zinc/05/49/61/388054961.db2.gz MKJJYEZGBAYFBX-DCAQKATOSA-N 2 0 200.326 0.999 20 0 BCADRP C[C@@H]1C[C@@H](N[C@@H](C[NH3+])C2CC2)C[N@@H+]1C1CC1 ZINC000423275605 388056211 /nfs/dbraw/zinc/05/62/11/388056211.db2.gz LWQQIEXHVVTCPH-XWIASGKRSA-N 2 0 223.364 0.939 20 0 BCADRP C[C@@H]1C[C@@H](N[C@H](C[NH3+])C2CC2)C[N@@H+]1C1CC1 ZINC000423275603 388056544 /nfs/dbraw/zinc/05/65/44/388056544.db2.gz LWQQIEXHVVTCPH-IRUJWGPZSA-N 2 0 223.364 0.939 20 0 BCADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000423281591 388063156 /nfs/dbraw/zinc/06/31/56/388063156.db2.gz VUQBHAWDTGSWSD-GHMZBOCLSA-N 3 0 201.358 0.949 20 0 BCADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C2([NH3+])CC2)C1 ZINC000083836041 388064033 /nfs/dbraw/zinc/06/40/33/388064033.db2.gz RTNKLWOMFQOBMV-SNVBAGLBSA-N 2 0 225.336 0.420 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000083889465 388065665 /nfs/dbraw/zinc/06/56/65/388065665.db2.gz GGHAWMYVXDZGFK-SECBINFHSA-N 2 0 225.336 0.324 20 0 BCADRP CC[N@H+](CCNC(=O)C[C@H](C[NH3+])OC)C(C)C ZINC000447435991 388072423 /nfs/dbraw/zinc/07/24/23/388072423.db2.gz SPHCUXKLWDOOBJ-LLVKDONJSA-N 2 0 245.367 0.197 20 0 BCADRP C[C@@H]1C[C@@H](NCC(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000423287961 388073243 /nfs/dbraw/zinc/07/32/43/388073243.db2.gz PQTKALWLFOISSO-NXEZZACHSA-N 2 0 211.353 0.939 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000447518315 388074371 /nfs/dbraw/zinc/07/43/71/388074371.db2.gz NOPSEHKJKZRKSY-MNOVXSKESA-N 2 0 227.352 0.585 20 0 BCADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423293842 388076427 /nfs/dbraw/zinc/07/64/27/388076427.db2.gz AVWZBVQWWSKIQY-WDEREUQCSA-N 2 0 229.368 0.818 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447914268 388102851 /nfs/dbraw/zinc/10/28/51/388102851.db2.gz OSFHEUMKXGXGKL-JHJVBQTASA-N 2 0 242.363 0.600 20 0 BCADRP COCC[N@@H+]1CC[C@H](NC[C@H]([NH3+])C(C)C)C1 ZINC000423271321 388049517 /nfs/dbraw/zinc/04/95/17/388049517.db2.gz IXZQUKPQMSZSPU-RYUDHWBXSA-N 2 0 229.368 0.280 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000646185814 388161339 /nfs/dbraw/zinc/16/13/39/388161339.db2.gz KJLRIYRAYGYGDL-HBNTYKKESA-N 2 0 242.367 0.506 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000646195864 388162345 /nfs/dbraw/zinc/16/23/45/388162345.db2.gz LGPPUDRVHBAIHC-HBNTYKKESA-N 2 0 242.367 0.554 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449379703 388187862 /nfs/dbraw/zinc/18/78/62/388187862.db2.gz JQKDMVNFDQEOJV-ZYHUDNBSSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000646216794 388167150 /nfs/dbraw/zinc/16/71/50/388167150.db2.gz XTAHQCBEMHMXRG-UKKRHICBSA-N 2 0 242.367 0.504 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[C@H](C[NH3+])C1 ZINC000646216843 388167362 /nfs/dbraw/zinc/16/73/62/388167362.db2.gz ZZBHNDWCPZHHJY-IVZWLZJFSA-N 2 0 228.340 0.102 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCC(C)(C)[NH+](C)C ZINC000449310163 388170497 /nfs/dbraw/zinc/17/04/97/388170497.db2.gz FAXYRWDXZRNHBO-SNVBAGLBSA-N 2 0 229.368 0.831 20 0 BCADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C1([NH3+])CCC1 ZINC000449343055 388176728 /nfs/dbraw/zinc/17/67/28/388176728.db2.gz HKXINWGOJNBCRZ-NSHDSACASA-N 2 0 239.363 0.858 20 0 BCADRP CC[N@H+](CCNC(=O)C1([NH3+])CCC1)C(C)C ZINC000449342627 388176844 /nfs/dbraw/zinc/17/68/44/388176844.db2.gz CUFOIIJBNUJGES-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000646297883 388178366 /nfs/dbraw/zinc/17/83/66/388178366.db2.gz WMIRVVQPLDWRBK-VWYCJHECSA-N 2 0 225.336 0.195 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000449358165 388181260 /nfs/dbraw/zinc/18/12/60/388181260.db2.gz FBZOGQDQMMNFKQ-ZYHUDNBSSA-N 2 0 239.363 0.727 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H](C)C[NH3+] ZINC000449359273 388181758 /nfs/dbraw/zinc/18/17/58/388181758.db2.gz PRBSAJLQKVVIQE-ZJUUUORDSA-N 2 0 229.368 0.722 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000488503324 388182742 /nfs/dbraw/zinc/18/27/42/388182742.db2.gz UKIRAIUTIDFJOQ-DCAQKATOSA-N 2 0 227.352 0.250 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)C[NH2+]C ZINC000646012186 388124270 /nfs/dbraw/zinc/12/42/70/388124270.db2.gz HWOUBTCSVUVGDH-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C[C@@H](C)[NH3+] ZINC000646010763 388124463 /nfs/dbraw/zinc/12/44/63/388124463.db2.gz KHEYADZPFRTNEE-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H](CNC(=O)NCC[N@H+](C)C1CC1)[NH+](C)C ZINC000454635267 388126320 /nfs/dbraw/zinc/12/63/20/388126320.db2.gz DQMYPLJUOSFEKM-JTQLQIEISA-N 2 0 242.367 0.330 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000449078813 388139698 /nfs/dbraw/zinc/13/96/98/388139698.db2.gz YTYOOZCJEMZDLV-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H]([NH3+])C(C)C ZINC000449127030 388142063 /nfs/dbraw/zinc/14/20/63/388142063.db2.gz VNGVLJGYJZBJPH-UWVGGRQHSA-N 2 0 215.341 0.474 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000449102447 388142667 /nfs/dbraw/zinc/14/26/67/388142667.db2.gz JZBQAHRMKWQOSW-JTQLQIEISA-N 2 0 229.368 0.736 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000449101484 388143180 /nfs/dbraw/zinc/14/31/80/388143180.db2.gz FKQZSAOAOUVALM-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449115405 388143546 /nfs/dbraw/zinc/14/35/46/388143546.db2.gz HMZQLHBUCXHWLV-MXWKQRLJSA-N 2 0 227.352 0.700 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000449118257 388143984 /nfs/dbraw/zinc/14/39/84/388143984.db2.gz XFCWUTHSMXJDTJ-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000449116974 388144626 /nfs/dbraw/zinc/14/46/26/388144626.db2.gz SCYCOMBUUURYTG-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000449116160 388144791 /nfs/dbraw/zinc/14/47/91/388144791.db2.gz KDVAIJRYZIXMFK-IUCAKERBSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000449117469 388144812 /nfs/dbraw/zinc/14/48/12/388144812.db2.gz UQXAMNOGCIPKKW-CHWFTXMASA-N 2 0 225.336 0.051 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000449118682 388145285 /nfs/dbraw/zinc/14/52/85/388145285.db2.gz ZCIRDJVBDBJDNI-OUAUKWLOSA-N 2 0 227.352 0.583 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000449120347 388145748 /nfs/dbraw/zinc/14/57/48/388145748.db2.gz CQYGVEPVYNJABO-NHCYSSNCSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000449125747 388146071 /nfs/dbraw/zinc/14/60/71/388146071.db2.gz TZWOAVUBLKBWIM-JOYOIKCWSA-N 2 0 227.352 0.617 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000449132178 388146741 /nfs/dbraw/zinc/14/67/41/388146741.db2.gz SKDGYQAOPVBNJF-UTUOFQBUSA-N 2 0 239.363 0.727 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](C)[NH2+]C1CC1 ZINC000449142491 388147380 /nfs/dbraw/zinc/14/73/80/388147380.db2.gz TUMGFSTZTSFNNP-JQWIXIFHSA-N 2 0 241.379 0.959 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C1([NH3+])CCC1 ZINC000449137804 388147692 /nfs/dbraw/zinc/14/76/92/388147692.db2.gz AIQGGCNZCNEBGQ-SECBINFHSA-N 2 0 213.325 0.502 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000449148953 388149154 /nfs/dbraw/zinc/14/91/54/388149154.db2.gz VNTCYRQOYNQLHC-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP O=C(C[NH2+]CC1CC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000449661400 388249715 /nfs/dbraw/zinc/24/97/15/388249715.db2.gz ZTLXFLFRXUBURL-VIFPVBQESA-N 2 0 247.289 0.099 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449662889 388250571 /nfs/dbraw/zinc/25/05/71/388250571.db2.gz HJYFRPICNJUEFT-SECBINFHSA-N 2 0 249.305 0.442 20 0 BCADRP CC(C)[N@H+](C)CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449680753 388251131 /nfs/dbraw/zinc/25/11/31/388251131.db2.gz KTJCKIATTDCVJE-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449389277 388192258 /nfs/dbraw/zinc/19/22/58/388192258.db2.gz CKLJJLZBDLWVKE-RISCZKNCSA-N 2 0 247.342 0.381 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000449402236 388195410 /nfs/dbraw/zinc/19/54/10/388195410.db2.gz QEVXDAVEUSGCOX-WCABBAIRSA-N 2 0 225.336 0.241 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCC(C)(C)CO ZINC000449409255 388197169 /nfs/dbraw/zinc/19/71/69/388197169.db2.gz SFDHBEUQVOYUFE-GHMZBOCLSA-N 2 0 214.353 0.935 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000646313175 388203072 /nfs/dbraw/zinc/20/30/72/388203072.db2.gz XGFYHMPOYAITNJ-DGCLKSJQSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C1([NH3+])CCCCC1 ZINC000489462966 388215749 /nfs/dbraw/zinc/21/57/49/388215749.db2.gz GVULJJIYWMVEGR-SNVBAGLBSA-N 2 0 227.352 0.748 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000449490517 388217946 /nfs/dbraw/zinc/21/79/46/388217946.db2.gz CFJGVFYPENGYGB-GWOFURMSSA-N 2 0 225.336 0.051 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000449490519 388218095 /nfs/dbraw/zinc/21/80/95/388218095.db2.gz CFJGVFYPENGYGB-LMLFDSFASA-N 2 0 225.336 0.051 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000449530054 388225367 /nfs/dbraw/zinc/22/53/67/388225367.db2.gz BTZHPZWZQYSYPE-BBBLOLIVSA-N 2 0 213.325 0.323 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000449536126 388226127 /nfs/dbraw/zinc/22/61/27/388226127.db2.gz PBEDATNPBSPIBR-GMTAPVOTSA-N 2 0 241.379 0.959 20 0 BCADRP Cc1cc(C)c(CNC(=O)C[NH+](C)C)cn1 ZINC000456863171 388228442 /nfs/dbraw/zinc/22/84/42/388228442.db2.gz QVOCMBOGLSZTQA-UHFFFAOYSA-N 2 0 221.304 0.876 20 0 BCADRP COCC[NH+]1CCC(NC[C@H](C)[NH+](C)C)CC1 ZINC000449554438 388231237 /nfs/dbraw/zinc/23/12/37/388231237.db2.gz BLFSPIFJTZHIJK-LBPRGKRZSA-N 2 0 243.395 0.637 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000449558604 388231723 /nfs/dbraw/zinc/23/17/23/388231723.db2.gz YLFDMJHWXVQCAW-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H](C)CCC[NH3+])[NH+](C)C ZINC000449572286 388236066 /nfs/dbraw/zinc/23/60/66/388236066.db2.gz MXVVUZKMXVSIQS-WDEREUQCSA-N 2 0 229.368 0.816 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449570417 388236302 /nfs/dbraw/zinc/23/63/02/388236302.db2.gz JKNLJHFZFNOXAN-RNFDROQYSA-N 2 0 237.347 0.193 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449582805 388238454 /nfs/dbraw/zinc/23/84/54/388238454.db2.gz ARMDPJZCVRIYIO-MAUMQABQSA-N 2 0 201.314 0.212 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000646331768 388239236 /nfs/dbraw/zinc/23/92/36/388239236.db2.gz VHKJQHHYOPCZPS-AXFHLTTASA-N 2 0 237.347 0.337 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000449597443 388239632 /nfs/dbraw/zinc/23/96/32/388239632.db2.gz FGIIDGKYGGINCU-JGVFFNPUSA-N 2 0 201.314 0.213 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CC[NH2+][C@H]1CC ZINC000449610854 388242211 /nfs/dbraw/zinc/24/22/11/388242211.db2.gz SEQNNXPTBMXYEF-AEJSXWLSSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000449608914 388242744 /nfs/dbraw/zinc/24/27/44/388242744.db2.gz LJAVFVBJGHHGSM-VHSXEESVSA-N 2 0 215.341 0.426 20 0 BCADRP CN(C(=O)CC[C@@H]1CCC[NH2+]1)C1CC([NH3+])C1 ZINC000449630760 388246240 /nfs/dbraw/zinc/24/62/40/388246240.db2.gz JAIOMIAZFFMHJQ-YVNMAJEFSA-N 2 0 225.336 0.467 20 0 BCADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)C1CC([NH3+])C1 ZINC000449637169 388246988 /nfs/dbraw/zinc/24/69/88/388246988.db2.gz YJDURCGTZMRIOX-VQXHTEKXSA-N 2 0 241.379 0.959 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449640441 388247948 /nfs/dbraw/zinc/24/79/48/388247948.db2.gz BFEPTCZBFJZUFS-VXGBXAGGSA-N 2 0 241.379 0.962 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)/C=C/C[NH+](C)C ZINC000491845184 388324523 /nfs/dbraw/zinc/32/45/23/388324523.db2.gz JSCWWACGTAQLHE-BCPZQOPPSA-N 2 0 241.379 0.951 20 0 BCADRP C[NH+](C)C/C=C/C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000491864688 388325172 /nfs/dbraw/zinc/32/51/72/388325172.db2.gz GSCSVKGKAKYIRE-BTDICHCPSA-N 2 0 239.363 0.561 20 0 BCADRP C[NH+](C)C/C=C\C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000491869760 388325528 /nfs/dbraw/zinc/32/55/28/388325528.db2.gz NLIDYCWPODPNJP-SMYYYNMVSA-N 2 0 239.363 0.562 20 0 BCADRP C[NH+](C)C/C=C\C(=O)NCC(C)(C)[NH+](C)C ZINC000491893130 388326805 /nfs/dbraw/zinc/32/68/05/388326805.db2.gz NILWIARCTAWHHM-FPLPWBNLSA-N 2 0 227.352 0.561 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)/C=C/C[NH+](C)C)C1 ZINC000491910861 388327402 /nfs/dbraw/zinc/32/74/02/388327402.db2.gz ZGMFSYQGNWFOGO-WAFBPQNNSA-N 2 0 239.363 0.705 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)o1 ZINC000646336043 388261636 /nfs/dbraw/zinc/26/16/36/388261636.db2.gz FYKLXDOJOMFVPR-MWLCHTKSSA-N 2 0 249.314 0.562 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646335970 388261708 /nfs/dbraw/zinc/26/17/08/388261708.db2.gz DRGZDYMLNUHHSZ-CZXHOFHRSA-N 2 0 249.358 0.196 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953097 388268790 /nfs/dbraw/zinc/26/87/90/388268790.db2.gz ANFHBZVGXMIKGG-NHCYSSNCSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953258 388269039 /nfs/dbraw/zinc/26/90/39/388269039.db2.gz LTUOUDKUWWOSLC-GHMZBOCLSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+][C@@H](C(=O)NCC[C@H]1CCC[NH2+]1)C1CCC1 ZINC000516561972 388344658 /nfs/dbraw/zinc/34/46/58/388344658.db2.gz BKKVDFSKFWKJIG-GHMZBOCLSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1CC[N@H+](CCc2ccnn2C)C[C@H]1C[NH3+] ZINC000300018119 388344689 /nfs/dbraw/zinc/34/46/89/388344689.db2.gz UZTIIHPDGZEECP-VXGBXAGGSA-N 2 0 236.363 0.879 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[C@H](C)[NH3+] ZINC000627160444 388346581 /nfs/dbraw/zinc/34/65/81/388346581.db2.gz ZMOUWWRHJPXBQI-LPEHRKFASA-N 2 0 228.340 0.163 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000646367983 388346573 /nfs/dbraw/zinc/34/65/73/388346573.db2.gz JMGJSWBZXWZMHB-VXGBXAGGSA-N 2 0 239.363 0.442 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000646369505 388347276 /nfs/dbraw/zinc/34/72/76/388347276.db2.gz NBFBJNGIFJNKNP-GARJFASQSA-N 2 0 237.347 0.195 20 0 BCADRP [NH3+]CCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646384129 388347741 /nfs/dbraw/zinc/34/77/41/388347741.db2.gz FENGWBSHWDMBFS-RYUDHWBXSA-N 2 0 239.363 0.573 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)CC[NH2+]C(C)C ZINC000516569398 388349020 /nfs/dbraw/zinc/34/90/20/388349020.db2.gz KNIZWLDRMOWGSW-SECBINFHSA-N 2 0 201.314 0.228 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)[NH+]1CCCC1 ZINC000646408516 388351954 /nfs/dbraw/zinc/35/19/54/388351954.db2.gz VYGQAFPKEGBWRL-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP Cn1nccc1CC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404767551 388354695 /nfs/dbraw/zinc/35/46/95/388354695.db2.gz HJWNXORPVYLZRM-MNOVXSKESA-N 2 0 222.336 0.678 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000516584017 388358118 /nfs/dbraw/zinc/35/81/18/388358118.db2.gz MFKALVOCXKJLDY-VWYCJHECSA-N 2 0 237.347 0.609 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[NH+]2CCC1CC2 ZINC000646450228 388360847 /nfs/dbraw/zinc/36/08/47/388360847.db2.gz MJZDGQFBNCRYNL-UHFFFAOYSA-N 2 0 225.336 0.420 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)c1ccc(C[NH3+])o1 ZINC000646657676 388405070 /nfs/dbraw/zinc/40/50/70/388405070.db2.gz MATUJABJBZTMMX-QMMMGPOBSA-N 2 0 223.276 0.172 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000300366774 388362680 /nfs/dbraw/zinc/36/26/80/388362680.db2.gz GVSGZDGDCZISDY-GRYCIOLGSA-N 2 0 211.353 0.940 20 0 BCADRP COC[C@@H](C)C[NH+]1CCC(C[NH3+])CC1 ZINC000163536210 388364318 /nfs/dbraw/zinc/36/43/18/388364318.db2.gz RPHFHICCRBVRGR-JTQLQIEISA-N 2 0 200.326 0.940 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1C[NH2+]Cc2ccccc21)[C@H](C)[NH3+] ZINC000572760866 388374591 /nfs/dbraw/zinc/37/45/91/388374591.db2.gz GNRHGJZPPGJFDJ-OPQQBVKSSA-N 2 0 247.342 0.725 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000646523205 388375228 /nfs/dbraw/zinc/37/52/28/388375228.db2.gz NQYGGEDGCIHUKL-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000646533690 388376994 /nfs/dbraw/zinc/37/69/94/388376994.db2.gz GAYGVYXLONJGOD-LLVKDONJSA-N 2 0 239.363 0.668 20 0 BCADRP C[NH+](C)C[C@@H]1CCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000646533871 388377073 /nfs/dbraw/zinc/37/70/73/388377073.db2.gz LAGKBAYFOODLFI-NSHDSACASA-N 2 0 239.363 0.526 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000519654843 256655232 /nfs/dbraw/zinc/65/52/32/256655232.db2.gz WHUVFUSCJNYGAB-KQXIARHKSA-N 2 0 237.347 0.324 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000236621149 388381076 /nfs/dbraw/zinc/38/10/76/388381076.db2.gz YRCCTFBXHSOPNN-NSHDSACASA-N 2 0 213.325 0.372 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000236764195 388382329 /nfs/dbraw/zinc/38/23/29/388382329.db2.gz ZHTJUDNPMLIVDL-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236692281 388382352 /nfs/dbraw/zinc/38/23/52/388382352.db2.gz OWAWIRSUTRNARU-GHMZBOCLSA-N 2 0 241.379 0.866 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])CC)C1 ZINC000236764644 388382610 /nfs/dbraw/zinc/38/26/10/388382610.db2.gz LXDIVPNLXRVOGA-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP CON1CCC([N@H+](C)CC2CC[NH2+]CC2)CC1 ZINC000572879590 388382680 /nfs/dbraw/zinc/38/26/80/388382680.db2.gz OFUJCCIBHZWPOI-UHFFFAOYSA-N 2 0 241.379 0.944 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC ZINC000236712253 388382723 /nfs/dbraw/zinc/38/27/23/388382723.db2.gz PMBHPYKUUPICJI-JTQLQIEISA-N 2 0 215.341 0.572 20 0 BCADRP C[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000572878460 388383295 /nfs/dbraw/zinc/38/32/95/388383295.db2.gz HYFSWRNLDRRLMC-NQBHXWOUSA-N 2 0 239.363 0.620 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000236810938 388383444 /nfs/dbraw/zinc/38/34/44/388383444.db2.gz WSPZONLSPASNBE-UTLUCORTSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000646568579 388384176 /nfs/dbraw/zinc/38/41/76/388384176.db2.gz TZEKIQWQPFLUHS-ONGXEEELSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@H](C)N(C)CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000300665280 388385374 /nfs/dbraw/zinc/38/53/74/388385374.db2.gz AMSVQVULNZWMNH-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@@H](C)N(C)CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000300665278 388385650 /nfs/dbraw/zinc/38/56/50/388385650.db2.gz AMSVQVULNZWMNH-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000316148305 388406122 /nfs/dbraw/zinc/40/61/22/388406122.db2.gz JIHDYACTXZGIPE-TUAOUCFPSA-N 2 0 212.337 0.864 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236963520 388387110 /nfs/dbraw/zinc/38/71/10/388387110.db2.gz WLTYLKIQFYCTJX-BBBLOLIVSA-N 2 0 213.325 0.228 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000237022686 388388760 /nfs/dbraw/zinc/38/87/60/388388760.db2.gz SPAZEBGFCGEXPP-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000237182492 388390916 /nfs/dbraw/zinc/39/09/16/388390916.db2.gz WQGWNBCYSBWFBU-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP CC[NH+](CC)CCCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000165108153 388391877 /nfs/dbraw/zinc/39/18/77/388391877.db2.gz DDQKCOLWQCCOIK-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH2+]CC(=O)NC[C@H]([NH3+])c1ccccc1OC ZINC000646600712 388393557 /nfs/dbraw/zinc/39/35/57/388393557.db2.gz OFIFLPYDFOLQPE-JTQLQIEISA-N 2 0 237.303 0.031 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000237364080 388393844 /nfs/dbraw/zinc/39/38/44/388393844.db2.gz MMMSVLAAAWOXST-GXSJLCMTSA-N 2 0 213.325 0.087 20 0 BCADRP C[C@H](CC(=O)N1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000237537382 388395501 /nfs/dbraw/zinc/39/55/01/388395501.db2.gz CVCKSFHOMRYDCV-LLVKDONJSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@@H]1C[NH3+] ZINC000237513541 388395756 /nfs/dbraw/zinc/39/57/56/388395756.db2.gz QZNCKIZSBMUCOV-DDHJBXDOSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237549398 388396515 /nfs/dbraw/zinc/39/65/15/388396515.db2.gz MMMSVLAAAWOXST-KOLCDFICSA-N 2 0 213.325 0.087 20 0 BCADRP C[C@@H](CCNC(=O)C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000237559760 388397002 /nfs/dbraw/zinc/39/70/02/388397002.db2.gz WKVMJSSJJQAEOG-LBPRGKRZSA-N 2 0 249.358 0.972 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N(C)C1CC[NH2+]CC1 ZINC000646629455 388398386 /nfs/dbraw/zinc/39/83/86/388398386.db2.gz OFLQIQVZNMALMF-VIFPVBQESA-N 2 0 225.336 0.337 20 0 BCADRP [NH3+]CC1(C(=O)N2CC[C@H]([NH3+])C2)CCCC1 ZINC000238001370 388399920 /nfs/dbraw/zinc/39/99/20/388399920.db2.gz YGVYUHGPNROJEL-VIFPVBQESA-N 2 0 211.309 0.065 20 0 BCADRP [NH3+]CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000237982174 388400110 /nfs/dbraw/zinc/40/01/10/388400110.db2.gz ZQMRUCSQSOCIJT-LLVKDONJSA-N 2 0 225.336 0.326 20 0 BCADRP CN(C(=O)C[C@@H]1CCCC[C@@H]1[NH3+])[C@@H]1CC[NH2+]C1 ZINC000520547803 256674760 /nfs/dbraw/zinc/67/47/60/256674760.db2.gz LBALNSGCCIYFSN-TUAOUCFPSA-N 2 0 239.363 0.714 20 0 BCADRP CN(C(=O)C[C@@H]1CCCC[C@H]1[NH3+])[C@H]1CC[NH2+]C1 ZINC000520547801 256674796 /nfs/dbraw/zinc/67/47/96/256674796.db2.gz LBALNSGCCIYFSN-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000238038747 388400432 /nfs/dbraw/zinc/40/04/32/388400432.db2.gz LNDHMYNZXRPDNJ-HBNTYKKESA-N 2 0 225.336 0.372 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000646646966 388401269 /nfs/dbraw/zinc/40/12/69/388401269.db2.gz ASQPWVSFBDRRCZ-SRVKXCTJSA-N 2 0 239.363 0.572 20 0 BCADRP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H]1CCC[NH2+]C1 ZINC000646644858 388401310 /nfs/dbraw/zinc/40/13/10/388401310.db2.gz YKPXGTIJPNMMKI-RYUDHWBXSA-N 2 0 239.363 0.634 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1CCCC[NH2+]1 ZINC000646649545 388401846 /nfs/dbraw/zinc/40/18/46/388401846.db2.gz LCZAIQFRYMJTSF-NEPJUHHUSA-N 2 0 239.363 0.634 20 0 BCADRP [NH3+]C1CCC(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000646664748 388406918 /nfs/dbraw/zinc/40/69/18/388406918.db2.gz YFWSYMKTVBYFMX-KMFOADKKSA-N 2 0 237.347 0.372 20 0 BCADRP CC[C@H]([NH3+])C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000515058898 256732535 /nfs/dbraw/zinc/73/25/35/256732535.db2.gz HGFZTZMADKDVAJ-MCIGGMRASA-N 2 0 239.363 0.857 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000515299410 256740791 /nfs/dbraw/zinc/74/07/91/256740791.db2.gz YAPQZXNKJOWRFW-GARJFASQSA-N 2 0 225.336 0.195 20 0 BCADRP CC[NH+](CC)CCSCC(=O)NC[C@H](C)[NH3+] ZINC000194888656 388454837 /nfs/dbraw/zinc/45/48/37/388454837.db2.gz BRWWDKMBXALORK-JTQLQIEISA-N 2 0 247.408 0.525 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)CCC1CC[NH2+]CC1 ZINC000194928055 388456256 /nfs/dbraw/zinc/45/62/56/388456256.db2.gz WMLOTBOUVHXEMY-SECBINFHSA-N 2 0 213.325 0.230 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(C[NH3+])o1 ZINC000646753520 388474569 /nfs/dbraw/zinc/47/45/69/388474569.db2.gz CYLLJXOBOVNTHQ-SECBINFHSA-N 2 0 239.319 0.842 20 0 BCADRP C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000646664084 388407234 /nfs/dbraw/zinc/40/72/34/388407234.db2.gz QBUVSHMJRGSKDN-SRVKXCTJSA-N 2 0 239.363 0.490 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000646672113 388411618 /nfs/dbraw/zinc/41/16/18/388411618.db2.gz YWQZRGUWSZVUNX-JTQLQIEISA-N 2 0 225.336 0.313 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000646672852 388411718 /nfs/dbraw/zinc/41/17/18/388411718.db2.gz XBIGKSHDHOZWRR-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000646679215 388414218 /nfs/dbraw/zinc/41/42/18/388414218.db2.gz IXCDEIKAJLBHEE-SECBINFHSA-N 2 0 221.304 0.656 20 0 BCADRP [NH3+]Cc1ccc(C(=O)NCC[NH2+]C2CC2)o1 ZINC000646687293 388416313 /nfs/dbraw/zinc/41/63/13/388416313.db2.gz WACPQTAZLKHKOI-UHFFFAOYSA-N 2 0 223.276 0.220 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000646688189 388417230 /nfs/dbraw/zinc/41/72/30/388417230.db2.gz YTROQOKXTQYBCP-KOLCDFICSA-N 2 0 239.363 0.570 20 0 BCADRP [NH3+]Cc1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)co1 ZINC000646699026 388419842 /nfs/dbraw/zinc/41/98/42/388419842.db2.gz PSMNHJWYRZCJFC-VIFPVBQESA-N 2 0 237.303 0.468 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)c1c[nH+]ccc1N ZINC000296599383 388424823 /nfs/dbraw/zinc/42/48/23/388424823.db2.gz YILZFVAHSGUEQO-ZETCQYMHSA-N 2 0 208.265 0.131 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079520622 388538213 /nfs/dbraw/zinc/53/82/13/388538213.db2.gz QSDGSFKAVVDUGP-ZDUSSCGKSA-N 2 0 239.363 0.587 20 0 BCADRP CC[NH2+]CC1CCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000646806319 388538801 /nfs/dbraw/zinc/53/88/01/388538801.db2.gz ZWKGXKJLHBSWSH-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000517148071 388539355 /nfs/dbraw/zinc/53/93/55/388539355.db2.gz AMBQWVJFBPKSCQ-MBNYWOFBSA-N 2 0 249.358 0.339 20 0 BCADRP C[NH2+]Cc1ccccc1NC(=O)[C@H](C)[NH2+]C ZINC000516491131 256776552 /nfs/dbraw/zinc/77/65/52/256776552.db2.gz WLESGYBIWWULMR-VIFPVBQESA-N 2 0 221.304 0.952 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)[C@H](C)[NH3+] ZINC000517235688 388545090 /nfs/dbraw/zinc/54/50/90/388545090.db2.gz XOMWDNFXTCRDNL-UTINFBMNSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[NH3+] ZINC000649273131 388483436 /nfs/dbraw/zinc/48/34/36/388483436.db2.gz MCULTPDQBQBVDI-QWRGUYRKSA-N 2 0 227.352 0.666 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000646762940 388486665 /nfs/dbraw/zinc/48/66/65/388486665.db2.gz IYJGAHZGWQELQE-DBIOUOCHSA-N 2 0 225.336 0.180 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000646762942 388487055 /nfs/dbraw/zinc/48/70/55/388487055.db2.gz IYJGAHZGWQELQE-LMLFDSFASA-N 2 0 225.336 0.180 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000340251426 388488517 /nfs/dbraw/zinc/48/85/17/388488517.db2.gz PYSVOUVPWQBAAK-NSHDSACASA-N 2 0 242.363 0.600 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH+](C)C ZINC000648910771 388489564 /nfs/dbraw/zinc/48/95/64/388489564.db2.gz WSCNVTQBFSEWFY-IJLUTSLNSA-N 2 0 241.379 0.641 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH+](C)C ZINC000648910772 388489824 /nfs/dbraw/zinc/48/98/24/388489824.db2.gz WSCNVTQBFSEWFY-QJPTWQEYSA-N 2 0 241.379 0.641 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C1CC[NH2+]CC1 ZINC000517374823 388548664 /nfs/dbraw/zinc/54/86/64/388548664.db2.gz AWOOKURPTSYCNS-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]1CCCN(C(=O)CCCC[NH3+])[C@H]1C[NH3+] ZINC000646770752 388493228 /nfs/dbraw/zinc/49/32/28/388493228.db2.gz CQRNHCOUPYVTFT-QWRGUYRKSA-N 2 0 227.352 0.701 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](OC)C1CC1 ZINC000356335035 388548850 /nfs/dbraw/zinc/54/88/50/388548850.db2.gz FPGJFWSRGLZHAH-VXGBXAGGSA-N 2 0 230.352 0.755 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C1CC[NH2+]CC1 ZINC000517374824 388548866 /nfs/dbraw/zinc/54/88/66/388548866.db2.gz AWOOKURPTSYCNS-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H](CC(=O)N(C)CCC[NH3+])C1CC[NH2+]CC1 ZINC000646783194 388500824 /nfs/dbraw/zinc/50/08/24/388500824.db2.gz TXXAXDBJMJYBTN-LLVKDONJSA-N 2 0 241.379 0.819 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000576821669 388507240 /nfs/dbraw/zinc/50/72/40/388507240.db2.gz ZGDZERWCBKVKLQ-JQWIXIFHSA-N 2 0 241.379 0.816 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646798048 388511160 /nfs/dbraw/zinc/51/11/60/388511160.db2.gz WYJIWONOFZXVHZ-VIFPVBQESA-N 2 0 227.352 0.618 20 0 BCADRP COC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)C1CC1 ZINC000397972559 388514064 /nfs/dbraw/zinc/51/40/64/388514064.db2.gz ULTRBKSYIVBLFH-MNOVXSKESA-N 2 0 200.326 0.984 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CCC[NH2+]C2)C1 ZINC000517030432 256811877 /nfs/dbraw/zinc/81/18/77/256811877.db2.gz OCXKTKYMYXVBKQ-QJPTWQEYSA-N 2 0 211.353 0.846 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C3([NH3+])CCC3)C[C@H]21 ZINC000516866309 388521404 /nfs/dbraw/zinc/52/14/04/388521404.db2.gz MYVGWXVOCDJXFC-GMTAPVOTSA-N 2 0 237.347 0.454 20 0 BCADRP Cn1cncc1CC[N@@H+]1CC[C@H](CO)C1 ZINC000347745880 388523881 /nfs/dbraw/zinc/52/38/81/388523881.db2.gz IXXVMYCXSLTJFA-JTQLQIEISA-N 2 0 209.293 0.277 20 0 BCADRP [NH3+]C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000516969030 388528615 /nfs/dbraw/zinc/52/86/15/388528615.db2.gz GZWFGNFXIUQVGD-MWLCHTKSSA-N 2 0 225.336 0.454 20 0 BCADRP C[NH2+]CCCC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000516969616 388528699 /nfs/dbraw/zinc/52/86/99/388528699.db2.gz CMXVZWLQCLCMGK-SNVBAGLBSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+]CCOCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000516971099 388529562 /nfs/dbraw/zinc/52/95/62/388529562.db2.gz MEKQBUGYKOGWSE-UHFFFAOYSA-N 3 0 227.352 0.037 20 0 BCADRP CO[C@@H](C[NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000517024496 388533879 /nfs/dbraw/zinc/53/38/79/388533879.db2.gz DDBYFVKOPQPVCY-LBPRGKRZSA-N 2 0 249.314 0.245 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCN2CCCC2=O)C1 ZINC000517041050 388536416 /nfs/dbraw/zinc/53/64/16/388536416.db2.gz DBXKQLBOIBRFBN-VXGBXAGGSA-N 2 0 239.363 0.858 20 0 BCADRP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CC[NH2+]CC1 ZINC000082796473 388587762 /nfs/dbraw/zinc/58/77/62/388587762.db2.gz SHHZAOHMHCHEEB-CYBMUJFWSA-N 2 0 245.326 0.305 20 0 BCADRP O=C(C[NH2+]C1CCCCCC1)N1CC[NH2+]CC1 ZINC000082654311 388587814 /nfs/dbraw/zinc/58/78/14/388587814.db2.gz BWXAGKYEHQWQSC-UHFFFAOYSA-N 2 0 239.363 0.731 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649308659 388594857 /nfs/dbraw/zinc/59/48/57/388594857.db2.gz SKIHWPJQXBBDTD-DBIOUOCHSA-N 2 0 225.336 0.193 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000649310586 388596286 /nfs/dbraw/zinc/59/62/86/388596286.db2.gz XBGPDOSISNNTBI-WDEREUQCSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CC[NH2+]C ZINC000220124064 388601185 /nfs/dbraw/zinc/60/11/85/388601185.db2.gz ZRIDJHVOWFNHQS-SNVBAGLBSA-N 2 0 215.341 0.442 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC(C)(C)C[NH3+] ZINC000261582701 135223574 /nfs/dbraw/zinc/22/35/74/135223574.db2.gz ONVPTZGRTOACMU-DTWKUNHWSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000517719695 388557318 /nfs/dbraw/zinc/55/73/18/388557318.db2.gz NOENOZRQFNTTDO-UTUOFQBUSA-N 2 0 239.363 0.490 20 0 BCADRP CO[C@H](C[NH3+])CC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000646823342 388558248 /nfs/dbraw/zinc/55/82/48/388558248.db2.gz KJCGADOHCWQHFA-WDEREUQCSA-N 2 0 245.367 0.182 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000261566382 135208702 /nfs/dbraw/zinc/20/87/02/135208702.db2.gz DLBHQRDHFJOBEX-PKIKSRDPSA-N 2 0 213.325 0.226 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000521041794 388560701 /nfs/dbraw/zinc/56/07/01/388560701.db2.gz ZKGOJWLIGULDMW-KKZNHRDASA-N 2 0 225.336 0.384 20 0 BCADRP C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367602594 388565624 /nfs/dbraw/zinc/56/56/24/388565624.db2.gz UYKFYRWOCVEBEN-NNYUYHANSA-N 2 0 212.337 0.830 20 0 BCADRP COC(=O)[C@@H](C)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368312483 388568640 /nfs/dbraw/zinc/56/86/40/388568640.db2.gz MXBJRGRSMFBBRP-AAEUAGOBSA-N 2 0 240.347 0.823 20 0 BCADRP C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000368611732 388569158 /nfs/dbraw/zinc/56/91/58/388569158.db2.gz DSROZCGHSRTCBS-KXNHARMFSA-N 2 0 212.337 0.830 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN([C@@H](C)C(N)=O)C1 ZINC000081571304 388584065 /nfs/dbraw/zinc/58/40/65/388584065.db2.gz CODHQHCESVDQAG-WDEREUQCSA-N 2 0 227.352 0.524 20 0 BCADRP CC[NH2+]CCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000521999186 388673567 /nfs/dbraw/zinc/67/35/67/388673567.db2.gz KVHPEEGWCGQHIE-DTWKUNHWSA-N 2 0 216.329 0.021 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000521998622 388673831 /nfs/dbraw/zinc/67/38/31/388673831.db2.gz NXGIGUHUXPGAON-MXWKQRLJSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N(C)C2)CCN1C ZINC000248201744 388675397 /nfs/dbraw/zinc/67/53/97/388675397.db2.gz YXYPRBJFDSXKAH-UTUOFQBUSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@]1(O)CC[NH+](CCC[N@H+]2CC[C@](C)(O)C2)C1 ZINC000248370672 388676048 /nfs/dbraw/zinc/67/60/48/388676048.db2.gz XUFGBJVTAGCRJJ-STQMWFEESA-N 2 0 242.363 0.290 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1NCC(=O)NC(C)(C)C ZINC000125786860 388676694 /nfs/dbraw/zinc/67/66/94/388676694.db2.gz PFBHHZUHYZSKLO-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)(C)[C@H](CN)[NH2+]CC1CC[NH2+]CC1 ZINC000521627180 388620527 /nfs/dbraw/zinc/62/05/27/388620527.db2.gz ZTZVYGHSHYAWIX-NSHDSACASA-N 2 0 213.369 0.949 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])N[C@@H]1CC[NH2+]C12CCC2 ZINC000530215270 388629040 /nfs/dbraw/zinc/62/90/40/388629040.db2.gz GEMCMHPJBDTRCF-HBNTYKKESA-N 2 0 211.353 0.986 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCN(C)C1=O ZINC000530217390 388630164 /nfs/dbraw/zinc/63/01/64/388630164.db2.gz GUESMERFEOYWGM-GUBZILKMSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H]([NH2+]CC12CC(C1)CO2)[C@H]1CC[NH2+]C1 ZINC000530217808 388630574 /nfs/dbraw/zinc/63/05/74/388630574.db2.gz CLIFNEDPWBIRPK-VOBJUBJWSA-N 2 0 210.321 0.753 20 0 BCADRP COc1ccc(CC[NH2+][C@@H](C)C2C[NH2+]C2)cn1 ZINC000530221274 388632899 /nfs/dbraw/zinc/63/28/99/388632899.db2.gz OSRJULUNEDSUSC-JTQLQIEISA-N 2 0 235.331 0.830 20 0 BCADRP [NH3+]CC1CCC([NH2+]C[C@@H]2COCCN2)CC1 ZINC000530220617 388633007 /nfs/dbraw/zinc/63/30/07/388633007.db2.gz BWKVQLSYJIQIBL-HTAVTVPLSA-N 2 0 227.352 0.082 20 0 BCADRP CC[C@@H](NC[C@@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC000530227750 388635895 /nfs/dbraw/zinc/63/58/95/388635895.db2.gz ZSIQFJPHDFOTSX-UTUOFQBUSA-N 2 0 227.352 0.095 20 0 BCADRP CN(CC[NH3+])C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000521872731 388637164 /nfs/dbraw/zinc/63/71/64/388637164.db2.gz CJXARLYLYDBSKJ-JTQLQIEISA-N 2 0 207.277 0.104 20 0 BCADRP CN1CCN(Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000149584455 388684764 /nfs/dbraw/zinc/68/47/64/388684764.db2.gz OFOFQLCMTNDASH-ZDUSSCGKSA-N 2 0 219.332 0.761 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C[NH+](C)C ZINC000247036862 388657777 /nfs/dbraw/zinc/65/77/77/388657777.db2.gz SRAKONJUVDDNTO-GHMZBOCLSA-N 2 0 227.352 0.347 20 0 BCADRP CC[NH+](CC)CCCN1CCC[C@H]1C(N)=O ZINC000191482125 388664501 /nfs/dbraw/zinc/66/45/01/388664501.db2.gz FRVPAYMLLTYZGC-NSHDSACASA-N 2 0 227.352 0.668 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC(n2ccnc2)C1 ZINC000522258069 388737473 /nfs/dbraw/zinc/73/74/73/388737473.db2.gz YVSRXSJZHIZYQR-UHFFFAOYSA-N 2 0 236.319 0.607 20 0 BCADRP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000552883096 388739471 /nfs/dbraw/zinc/73/94/71/388739471.db2.gz OYPDKUIOTVLEJI-NSHDSACASA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000227117644 388740916 /nfs/dbraw/zinc/74/09/16/388740916.db2.gz VGZMZDLTBJJDMM-GRYCIOLGSA-N 2 0 237.347 0.420 20 0 BCADRP C[C@H](O)C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)CO ZINC000248865749 388696222 /nfs/dbraw/zinc/69/62/22/388696222.db2.gz AXHHHVPRXONZHJ-RWMBFGLXSA-N 2 0 244.379 0.534 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC000522146140 388704942 /nfs/dbraw/zinc/70/49/42/388704942.db2.gz MEVJHKCEJNQTRE-LLVKDONJSA-N 2 0 239.363 0.539 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC000522146678 388705497 /nfs/dbraw/zinc/70/54/97/388705497.db2.gz SERVIIDAOHIRNQ-LBPRGKRZSA-N 2 0 239.363 0.540 20 0 BCADRP CC[C@@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249115040 388709315 /nfs/dbraw/zinc/70/93/15/388709315.db2.gz NTRFOANFQOITMM-SRVKXCTJSA-N 2 0 212.337 0.974 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000249441369 388721401 /nfs/dbraw/zinc/72/14/01/388721401.db2.gz KCVJEVZXPYOACM-WDEREUQCSA-N 2 0 232.393 0.594 20 0 BCADRP CSC[C@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000249490910 388723660 /nfs/dbraw/zinc/72/36/60/388723660.db2.gz YILULRZDGGEUDS-VXGBXAGGSA-N 2 0 246.420 0.984 20 0 BCADRP C[C@H](CC(N)=O)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000129372585 388835676 /nfs/dbraw/zinc/83/56/76/388835676.db2.gz OGAXMHBRBTWGMZ-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1CN(c2ccncc2C(N)=O)C[C@H](C)[N@H+]1C ZINC000555219773 388842248 /nfs/dbraw/zinc/84/22/48/388842248.db2.gz FAJIBKUVWKLWQK-AOOOYVTPSA-N 2 0 248.330 0.709 20 0 BCADRP C[C@H]1C[C@@H]([NH2+]CCn2ccnc2)CC[N@@H+]1C ZINC000129662334 388863146 /nfs/dbraw/zinc/86/31/46/388863146.db2.gz OYTGZFIXSMDBGO-RYUDHWBXSA-N 2 0 222.336 0.955 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000564739536 388887027 /nfs/dbraw/zinc/88/70/27/388887027.db2.gz IWQTZQZQRODBQV-HOSYDEDBSA-N 2 0 227.352 0.487 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1NCc1nnc(C2CC2)[nH]1 ZINC000564822561 388891913 /nfs/dbraw/zinc/89/19/13/388891913.db2.gz FAGWRGXNQJOJCL-VHSXEESVSA-N 2 0 235.335 0.899 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000564838172 388892910 /nfs/dbraw/zinc/89/29/10/388892910.db2.gz IHEPHEVJWPVGEH-AXFHLTTASA-N 2 0 225.336 0.182 20 0 BCADRP CN(C[C@@H](O)C[NH2+]C[C@H]1CC12CC2)C1CC1 ZINC000564855797 388894619 /nfs/dbraw/zinc/89/46/19/388894619.db2.gz FASMXVULPJBQAX-PWSUYJOCSA-N 2 0 224.348 0.831 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000564939039 388899625 /nfs/dbraw/zinc/89/96/25/388899625.db2.gz XZEILJMQNFESHX-GARJFASQSA-N 2 0 244.383 0.929 20 0 BCADRP [NH3+]Cc1cc(C(=O)N[C@@H]2CCC[NH2+]C2)co1 ZINC000564948522 388899880 /nfs/dbraw/zinc/89/98/80/388899880.db2.gz NOICPZFPVVRTFS-SECBINFHSA-N 2 0 223.276 0.220 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)c1coc(C[NH3+])c1 ZINC000564944291 388900444 /nfs/dbraw/zinc/90/04/44/388900444.db2.gz LGAVHGSKZLUVDJ-MRVPVSSYSA-N 2 0 225.292 0.324 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000564956844 388900856 /nfs/dbraw/zinc/90/08/56/388900856.db2.gz TXNIXONAGNEJJH-AEJSXWLSSA-N 2 0 213.325 0.357 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000564955987 388901677 /nfs/dbraw/zinc/90/16/77/388901677.db2.gz DTBXLVSFUHBOTN-WYUUTHIRSA-N 2 0 239.363 0.618 20 0 BCADRP C[NH2+]CCc1ccccc1C(=O)N[C@H](C)CC[NH3+] ZINC000564993325 388906152 /nfs/dbraw/zinc/90/61/52/388906152.db2.gz SYSJLAVRMYMNQA-LLVKDONJSA-N 2 0 249.358 0.916 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000564992460 388906926 /nfs/dbraw/zinc/90/69/26/388906926.db2.gz LYXCZQOKCDDFIN-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C1(C[NH3+])CCCC1 ZINC000565003754 388907515 /nfs/dbraw/zinc/90/75/15/388907515.db2.gz ZSVPSINSOGYCAX-UWVGGRQHSA-N 2 0 227.352 0.748 20 0 BCADRP [NH3+]CCC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000565045771 388911541 /nfs/dbraw/zinc/91/15/41/388911541.db2.gz FZCRPHKAMLRHGE-UHFFFAOYSA-N 2 0 208.309 0.938 20 0 BCADRP CC[N@H+](C[C@H]1CCCO1)C[C@](C)(O)C[NH2+]C ZINC000565095735 388913323 /nfs/dbraw/zinc/91/33/23/388913323.db2.gz PDPSTWRVBBSWAS-VXGBXAGGSA-N 2 0 230.352 0.458 20 0 BCADRP C[C@@H]1CC[N@H+](CC(=O)NC(C)(C)C[NH+](C)C)C1 ZINC000565210321 388925966 /nfs/dbraw/zinc/92/59/66/388925966.db2.gz UDOJVZXABBQYEU-LLVKDONJSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)([NH3+])CNC(=O)c1conc1C(C)(C)[NH3+] ZINC000565218976 388926784 /nfs/dbraw/zinc/92/67/84/388926784.db2.gz SQEOVESQGWSGQB-UHFFFAOYSA-N 2 0 240.307 0.336 20 0 BCADRP C[NH2+][C@@H]1CCCN(CCN2CCO[C@H](C)C2)C1 ZINC000564988101 388904808 /nfs/dbraw/zinc/90/48/08/388904808.db2.gz IAANUPWGRJYPJD-CHWSQXEVSA-N 2 0 241.379 0.391 20 0 BCADRP [NH3+]CCCC(=O)NCc1ccc(C[NH3+])cc1 ZINC000565717516 388965547 /nfs/dbraw/zinc/96/55/47/388965547.db2.gz KTBXDPIEQSJKCI-UHFFFAOYSA-N 2 0 221.304 0.500 20 0 BCADRP C[NH+](C)CCCCC(=O)NC1CC[NH+](C)CC1 ZINC000565731969 388966096 /nfs/dbraw/zinc/96/60/96/388966096.db2.gz BHYQWEOJIMMYFP-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP COCC1(C[NH2+]CC(C)(C)[NH3+])CC[NH2+]CC1 ZINC000565774748 388968707 /nfs/dbraw/zinc/96/87/07/388968707.db2.gz OHFAVJPFTZNLSP-UHFFFAOYSA-N 3 0 229.368 0.330 20 0 BCADRP C[C@@H]1CN(C(=O)NCC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000565353610 388939309 /nfs/dbraw/zinc/93/93/09/388939309.db2.gz WJSJYQSSLROJDR-GHMZBOCLSA-N 2 0 240.351 0.132 20 0 BCADRP [NH3+][C@@H]1CCCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000565364978 388939959 /nfs/dbraw/zinc/93/99/59/388939959.db2.gz RQEROTMHOZJIIS-UPJWGTAASA-N 2 0 239.363 0.273 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000565421350 388943399 /nfs/dbraw/zinc/94/33/99/388943399.db2.gz WNBQSMZQINMSTN-JQWIXIFHSA-N 2 0 235.331 0.410 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000565538334 388952071 /nfs/dbraw/zinc/95/20/71/388952071.db2.gz TXYVNOYPNMTFMX-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000565833963 388972297 /nfs/dbraw/zinc/97/22/97/388972297.db2.gz ONVRWFNVHVXBHM-GXSJLCMTSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000566088500 388985071 /nfs/dbraw/zinc/98/50/71/388985071.db2.gz VWGIKLKQWWXDEO-PWSUYJOCSA-N 2 0 211.353 0.526 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000566067898 388985748 /nfs/dbraw/zinc/98/57/48/388985748.db2.gz HPUSULXOBWGAAR-QXEWZRGKSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000566067896 388985866 /nfs/dbraw/zinc/98/58/66/388985866.db2.gz HPUSULXOBWGAAR-IQJOONFLSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)[C@H](C)[NH3+] ZINC000493900372 533270141 /nfs/dbraw/zinc/27/01/41/533270141.db2.gz LOYWZUAFRJCTNO-YWVKMMECSA-N 2 0 227.352 0.426 20 0 BCADRP C[C@@H]([NH2+]CCCN1CCOC1=O)[C@@H]1CCC[NH2+]1 ZINC000496714122 533382657 /nfs/dbraw/zinc/38/26/57/533382657.db2.gz HQAIEJJCDUKBEZ-MNOVXSKESA-N 2 0 241.335 0.559 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000158216451 133499713 /nfs/dbraw/zinc/49/97/13/133499713.db2.gz LLMDNMKGCBRFNT-RKDXNWHRSA-N 2 0 213.325 0.310 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCCC[NH+](C)C ZINC000165403325 133657842 /nfs/dbraw/zinc/65/78/42/133657842.db2.gz ALQNSXDUAJJCTB-NXEZZACHSA-N 2 0 215.341 0.428 20 0 BCADRP C[C@H]([NH3+])CN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000335405053 133856946 /nfs/dbraw/zinc/85/69/46/133856946.db2.gz CATRXFYHMXUVQE-GWCFXTLKSA-N 2 0 219.332 0.892 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000335495979 133866702 /nfs/dbraw/zinc/86/67/02/133866702.db2.gz OSOIXLXGPFUFPL-DTWKUNHWSA-N 2 0 213.325 0.086 20 0 BCADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000335485660 133882309 /nfs/dbraw/zinc/88/23/09/133882309.db2.gz GPGBQQXKLPUYTC-BXKDBHETSA-N 2 0 233.315 0.798 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000349959299 133927514 /nfs/dbraw/zinc/92/75/14/133927514.db2.gz INCAJVVWKAUPPL-MFKMUULPSA-N 2 0 247.342 0.554 20 0 BCADRP C[NH2+]CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000167528392 134003305 /nfs/dbraw/zinc/00/33/05/134003305.db2.gz WXKSXUQFOIJKDD-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000335923350 134007866 /nfs/dbraw/zinc/00/78/66/134007866.db2.gz OIOGWAJLMIDMJF-BXKDBHETSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@]1(CNC(=O)[C@@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000335990751 134040258 /nfs/dbraw/zinc/04/02/58/134040258.db2.gz STNCTBMVEXVBNG-JQWIXIFHSA-N 2 0 225.336 0.244 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000336005285 134049023 /nfs/dbraw/zinc/04/90/23/134049023.db2.gz NFTGNPLVSHYGKK-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000336032515 134058658 /nfs/dbraw/zinc/05/86/58/134058658.db2.gz SAOBIEZTGZOSOZ-WCQYABFASA-N 2 0 239.363 0.844 20 0 BCADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000336169321 134114361 /nfs/dbraw/zinc/11/43/61/134114361.db2.gz GSDDQIQYQLJTTC-QWRGUYRKSA-N 2 0 225.336 0.326 20 0 BCADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C2([NH3+])CCC2)C1 ZINC000336219398 134138670 /nfs/dbraw/zinc/13/86/70/134138670.db2.gz NQKONGSKPOEBLJ-MNOVXSKESA-N 2 0 239.363 0.857 20 0 BCADRP C[NH+](C)CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000167944557 134154987 /nfs/dbraw/zinc/15/49/87/134154987.db2.gz UWQHVOXUOICVDI-SNVBAGLBSA-N 2 0 213.325 0.278 20 0 BCADRP CCCN(C(=O)C[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000167931745 134155079 /nfs/dbraw/zinc/15/50/79/134155079.db2.gz ZINWYEIHTMFJEB-JTQLQIEISA-N 2 0 213.325 0.149 20 0 BCADRP C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000169110478 134249483 /nfs/dbraw/zinc/24/94/83/134249483.db2.gz QBTROBOTBZDKHQ-ZYHUDNBSSA-N 2 0 239.363 0.714 20 0 BCADRP CNC(=O)[C@H](C)N[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000218812386 134265351 /nfs/dbraw/zinc/26/53/51/134265351.db2.gz JHAMDVCITGAUHW-ZRUFSTJUSA-N 2 0 227.352 0.439 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172423360 134266077 /nfs/dbraw/zinc/26/60/77/134266077.db2.gz CCGDZFOOOKSKRW-OLZOCXBDSA-N 2 0 242.363 0.411 20 0 BCADRP C[C@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)CC[N@@H+]1C ZINC000219307188 134281181 /nfs/dbraw/zinc/28/11/81/134281181.db2.gz ABGZKIXVZNQCBF-QWHCGFSZSA-N 3 0 243.395 0.637 20 0 BCADRP COC[C@@H](C)[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000219861082 134292179 /nfs/dbraw/zinc/29/21/79/134292179.db2.gz SMTMZPJSEROMGV-MNOVXSKESA-N 2 0 200.326 0.953 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(CC(=O)NC)C1 ZINC000177033449 134293734 /nfs/dbraw/zinc/29/37/34/134293734.db2.gz UWDPPBLLHORTNS-LLVKDONJSA-N 2 0 227.352 0.396 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)N(C)C)[C@H](C)C1 ZINC000178293410 134305931 /nfs/dbraw/zinc/30/59/31/134305931.db2.gz XUDWYTXXJQBJFB-VXGBXAGGSA-N 2 0 241.379 0.785 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178519428 134308093 /nfs/dbraw/zinc/30/80/93/134308093.db2.gz KEIQGUSADSBPKE-JTQLQIEISA-N 2 0 213.325 0.134 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000178406934 134310161 /nfs/dbraw/zinc/31/01/61/134310161.db2.gz MUCAYRYJAHVLEL-JQWIXIFHSA-N 2 0 239.363 0.714 20 0 BCADRP CC[NH+](CC)CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178722403 134310574 /nfs/dbraw/zinc/31/05/74/134310574.db2.gz LQHMADYABUFWBH-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP c1ncn([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178972432 134314153 /nfs/dbraw/zinc/31/41/53/134314153.db2.gz SXCWDINFOAXOMM-ZDUSSCGKSA-N 2 0 249.362 0.915 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000178824356 134315823 /nfs/dbraw/zinc/31/58/23/134315823.db2.gz JTUWOJJYFBVXQM-RYUDHWBXSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000178815844 134315867 /nfs/dbraw/zinc/31/58/67/134315867.db2.gz BUSXAUUSPSUJSC-UTLUCORTSA-N 2 0 213.325 0.275 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000178867300 134316034 /nfs/dbraw/zinc/31/60/34/134316034.db2.gz IRJGTILJGFOWAD-FOGDFJRCSA-N 2 0 237.347 0.480 20 0 BCADRP CCCN(C(=O)C[N@H+](C)C(C)C)[C@H]1CC[NH2+]C1 ZINC000178885288 134316290 /nfs/dbraw/zinc/31/62/90/134316290.db2.gz APUPXQINVOAZAB-LBPRGKRZSA-N 2 0 241.379 0.927 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)CO)[C@@H](C)C1 ZINC000222659305 134333579 /nfs/dbraw/zinc/33/35/79/134333579.db2.gz AMSMNRKEOMHBLC-WOPDTQHZSA-N 2 0 214.353 0.935 20 0 BCADRP C[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223583741 134340574 /nfs/dbraw/zinc/34/05/74/134340574.db2.gz PAQRGLIFFZRUPY-GARJFASQSA-N 2 0 200.326 0.830 20 0 BCADRP COC[C@@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000182342943 134344193 /nfs/dbraw/zinc/34/41/93/134344193.db2.gz AIFNCMFVXQTUJQ-NEPJUHHUSA-N 2 0 230.352 0.267 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000224044815 134344616 /nfs/dbraw/zinc/34/46/16/134344616.db2.gz MAJFXMKLOKIFJY-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP [NH3+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000184207218 134359836 /nfs/dbraw/zinc/35/98/36/134359836.db2.gz LDKHKLHGWARKSB-CYBMUJFWSA-N 2 0 247.342 0.583 20 0 BCADRP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000226831114 134369735 /nfs/dbraw/zinc/36/97/35/134369735.db2.gz PJQSMFZWGLWATL-YNEHKIRRSA-N 2 0 224.348 0.974 20 0 BCADRP OCCOCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000227501600 134382173 /nfs/dbraw/zinc/38/21/73/134382173.db2.gz WYEFZKMYSGHMFL-CHWSQXEVSA-N 2 0 242.363 0.602 20 0 BCADRP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000227826896 134390488 /nfs/dbraw/zinc/39/04/88/134390488.db2.gz SBQJEUOTRAGFJL-QJPTWQEYSA-N 2 0 228.336 0.210 20 0 BCADRP CC[NH+](CC)CCCNC(=O)C1([NH3+])CCC1 ZINC000088050083 134426949 /nfs/dbraw/zinc/42/69/49/134426949.db2.gz BEIUMYXPBMTBSV-UHFFFAOYSA-N 2 0 227.352 0.716 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC000086065353 134578790 /nfs/dbraw/zinc/57/87/90/134578790.db2.gz BOHLZRNLRYWTPG-LLVKDONJSA-N 2 0 227.352 0.444 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000049559601 134634641 /nfs/dbraw/zinc/63/46/41/134634641.db2.gz FBUWNCOUGCVJLM-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]([NH3+])C(C)C ZINC000154539209 134673225 /nfs/dbraw/zinc/67/32/25/134673225.db2.gz GSSOCHBKQMQKEL-SECBINFHSA-N 2 0 201.314 0.086 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000070317016 134989331 /nfs/dbraw/zinc/98/93/31/134989331.db2.gz HNGYQBWNXYUWAN-NSHDSACASA-N 2 0 241.379 0.914 20 0 BCADRP C[NH2+]CCCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248567480 135004653 /nfs/dbraw/zinc/00/46/53/135004653.db2.gz BYPSLCXZADMHIZ-GARJFASQSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@H]3CCC[C@H]3[NH3+])C[C@H]12 ZINC000248627929 135016713 /nfs/dbraw/zinc/01/67/13/135016713.db2.gz OMFLQKLKNVKDOB-KKJSVHSVSA-N 2 0 237.347 0.310 20 0 BCADRP O[C@H](C[NH2+][C@H]1CCCOC1)C[NH+]1CCCC1 ZINC000071013814 135018013 /nfs/dbraw/zinc/01/80/13/135018013.db2.gz VCDARDRTDXJGJA-NWDGAFQWSA-N 2 0 228.336 0.212 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000249017542 135030043 /nfs/dbraw/zinc/03/00/43/135030043.db2.gz KGJQZTPBGJKGCF-AJBSGBCOSA-N 2 0 225.336 0.165 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249848896 135046269 /nfs/dbraw/zinc/04/62/69/135046269.db2.gz IAZHUFAFLOFHEJ-RYUDHWBXSA-N 2 0 239.363 0.729 20 0 BCADRP C[C@H]([NH2+]CCOCC[NH+](C)C)C1CC1 ZINC000235520371 135046821 /nfs/dbraw/zinc/04/68/21/135046821.db2.gz UBCYIKVOPLFOHC-JTQLQIEISA-N 2 0 200.326 0.953 20 0 BCADRP CNC(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250362381 135052583 /nfs/dbraw/zinc/05/25/83/135052583.db2.gz DEUJFZIJLSHDON-MNOVXSKESA-N 2 0 225.336 0.339 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250508392 135055707 /nfs/dbraw/zinc/05/57/07/135055707.db2.gz NEDBOTFYFXONFR-RWMBFGLXSA-N 2 0 242.363 0.600 20 0 BCADRP C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[NH2+]C1 ZINC000251291262 135068006 /nfs/dbraw/zinc/06/80/06/135068006.db2.gz NROZDMVKNNRGNB-UTUOFQBUSA-N 2 0 210.321 0.849 20 0 BCADRP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCC[NH3+] ZINC000251706479 135074346 /nfs/dbraw/zinc/07/43/46/135074346.db2.gz JEDOTZQUTDJMHG-RYUDHWBXSA-N 2 0 239.363 0.811 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000251739096 135076949 /nfs/dbraw/zinc/07/69/49/135076949.db2.gz CSBZQVLPBFQWOV-UTUOFQBUSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@@H]1C[C@@H](C)C[NH+](CCOCC[NH3+])C1 ZINC000086435355 135084491 /nfs/dbraw/zinc/08/44/91/135084491.db2.gz QNOJPOGHVPDAFA-GHMZBOCLSA-N 2 0 200.326 0.940 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252198232 135086972 /nfs/dbraw/zinc/08/69/72/135086972.db2.gz VVILLYPXRWIEPG-HBNTYKKESA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000252458017 135089494 /nfs/dbraw/zinc/08/94/94/135089494.db2.gz FVDNLMRZZJWPRH-LPEHRKFASA-N 2 0 215.341 0.426 20 0 BCADRP C[NH+](CCN[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000086730082 135095981 /nfs/dbraw/zinc/09/59/81/135095981.db2.gz BJHDBUUKNQVQGK-LLVKDONJSA-N 2 0 211.353 0.812 20 0 BCADRP CC[C@@H](C)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000252709900 135099652 /nfs/dbraw/zinc/09/96/52/135099652.db2.gz FDTUFZJAQZFWJE-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COC)[C@H](C)C1 ZINC000252712369 135100277 /nfs/dbraw/zinc/10/02/77/135100277.db2.gz MFRHOGXEXLBVKN-UTUOFQBUSA-N 2 0 230.352 0.314 20 0 BCADRP C[C@@H]1C[N@H+](CCC(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000086887007 135100622 /nfs/dbraw/zinc/10/06/22/135100622.db2.gz GEKSOVGSMWNEFB-ZJUUUORDSA-N 2 0 213.325 0.134 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000086930516 135102609 /nfs/dbraw/zinc/10/26/09/135102609.db2.gz OWWCSQBRLBTKBL-GMTAPVOTSA-N 2 0 225.336 0.419 20 0 BCADRP CC(C)([NH3+])CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000252977971 135118853 /nfs/dbraw/zinc/11/88/53/135118853.db2.gz XIAKMJBWAAIRED-LPEHRKFASA-N 2 0 225.336 0.310 20 0 BCADRP CC[NH+](C/C=C\C[N@H+](CC)CCO)CCO ZINC000255325200 135128868 /nfs/dbraw/zinc/12/88/68/135128868.db2.gz FDRKSNWHUQKEOT-WAYWQWQTSA-N 2 0 230.352 0.171 20 0 BCADRP Cc1c[nH]nc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257645744 135137658 /nfs/dbraw/zinc/13/76/58/135137658.db2.gz CBXYUTUARMXPEG-GFCCVEGCSA-N 2 0 220.320 0.904 20 0 BCADRP c1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)n[nH]1 ZINC000257674252 135139081 /nfs/dbraw/zinc/13/90/81/135139081.db2.gz JGTNGMGKCAQPJK-UHFFFAOYSA-N 2 0 220.320 0.985 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000257763873 135141798 /nfs/dbraw/zinc/14/17/98/135141798.db2.gz AVKCNLKEDKRZOJ-UHFFFAOYSA-N 2 0 225.336 0.293 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H](C)[NH3+] ZINC000261533872 135165960 /nfs/dbraw/zinc/16/59/60/135165960.db2.gz LNOAMCKVHPOMPK-WCBMZHEXSA-N 2 0 201.314 0.213 20 0 BCADRP C[N@@H+](CCC(N)=O)CC[C@@H]1CCC[NH+]1C ZINC000353169364 135167267 /nfs/dbraw/zinc/16/72/67/135167267.db2.gz OLPPADIBHVJYHG-JTQLQIEISA-N 2 0 213.325 0.278 20 0 BCADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCn1cncn1 ZINC000261535872 135170659 /nfs/dbraw/zinc/17/06/59/135170659.db2.gz PMZIMOXEEDTXHE-JTQLQIEISA-N 2 0 211.313 0.241 20 0 BCADRP C[N@H+](CC1CC1)C[C@H]1CCN(CC[NH3+])C1 ZINC000261536376 135171436 /nfs/dbraw/zinc/17/14/36/135171436.db2.gz RMFQXZFQGKZBBP-GFCCVEGCSA-N 2 0 211.353 0.609 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000261536770 135172132 /nfs/dbraw/zinc/17/21/32/135172132.db2.gz SWAQBDIGVOVWFR-WCBMZHEXSA-N 2 0 201.314 0.213 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000261539260 135177685 /nfs/dbraw/zinc/17/76/85/135177685.db2.gz BYKUPXSJIBEBPF-WCBMZHEXSA-N 2 0 213.325 0.357 20 0 BCADRP CNC(=O)[C@H](C)C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000261539869 135178395 /nfs/dbraw/zinc/17/83/95/135178395.db2.gz CBZLEJXISZYXCO-VXGBXAGGSA-N 2 0 241.379 0.690 20 0 BCADRP CC[N@H+](C)C[C@H]1CCN(CC(C)(C)[NH3+])C1 ZINC000261539864 135178596 /nfs/dbraw/zinc/17/85/96/135178596.db2.gz DGKIJNXYDMNHJN-LLVKDONJSA-N 2 0 213.369 0.997 20 0 BCADRP C[C@@H](C(=O)N(C)CC(C)(C)C[NH3+])[C@H](C)[NH3+] ZINC000261543932 135184967 /nfs/dbraw/zinc/18/49/67/135184967.db2.gz IIEKDBDDRBKKMB-BDAKNGLRSA-N 2 0 215.341 0.413 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261544807 135186191 /nfs/dbraw/zinc/18/61/91/135186191.db2.gz JCUPIYJYTFLKEQ-KOLCDFICSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@H]1COCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261545078 135186755 /nfs/dbraw/zinc/18/67/55/135186755.db2.gz JOKKITZUDDUNRA-NEPJUHHUSA-N 2 0 212.337 0.954 20 0 BCADRP CCC[NH2+]CCNC(=O)C[NH2+]CC1CC1 ZINC000261548907 135187273 /nfs/dbraw/zinc/18/72/73/135187273.db2.gz OBCBZXDMHZPJGC-UHFFFAOYSA-N 2 0 213.325 0.102 20 0 BCADRP C[NH2+][C@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000261551330 135190214 /nfs/dbraw/zinc/19/02/14/135190214.db2.gz QJAHIZLITJHDJY-LBPRGKRZSA-N 2 0 211.353 0.670 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000261551394 135190863 /nfs/dbraw/zinc/19/08/63/135190863.db2.gz QMNYBJBKKUZDQF-GXSJLCMTSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCOCC(F)F)C1 ZINC000261555479 135195035 /nfs/dbraw/zinc/19/50/35/135195035.db2.gz VAZTZJLKNBBKLW-IUCAKERBSA-N 2 0 222.279 0.937 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCOCC(F)F)C1 ZINC000261555478 135195575 /nfs/dbraw/zinc/19/55/75/135195575.db2.gz VAZTZJLKNBBKLW-DTWKUNHWSA-N 2 0 222.279 0.937 20 0 BCADRP CCCN(CCOCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000261558196 135198362 /nfs/dbraw/zinc/19/83/62/135198362.db2.gz XZVFNBGJMKCDGQ-NSHDSACASA-N 2 0 215.341 0.036 20 0 BCADRP C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000261558560 135199321 /nfs/dbraw/zinc/19/93/21/135199321.db2.gz YLCHSNKGOSQXPL-IJLUTSLNSA-N 2 0 211.353 0.668 20 0 BCADRP CN(CCc1cnccn1)CC(C)(C)[NH3+] ZINC000261558653 135199646 /nfs/dbraw/zinc/19/96/46/135199646.db2.gz YOTSMCVIPHJFSK-UHFFFAOYSA-N 2 0 208.309 0.688 20 0 BCADRP COCCO[C@H]1CCN(CC(C)(C)[NH3+])C1 ZINC000261559660 135200641 /nfs/dbraw/zinc/20/06/41/135200641.db2.gz ZEPZAFULYJRYCG-JTQLQIEISA-N 2 0 216.325 0.461 20 0 BCADRP COCCOCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261561178 135201751 /nfs/dbraw/zinc/20/17/51/135201751.db2.gz AKWYJFLOKNJHKW-NWDGAFQWSA-N 2 0 228.336 0.191 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCn1cccn1 ZINC000261561851 135203624 /nfs/dbraw/zinc/20/36/24/135203624.db2.gz AXXAZEKYKURXHU-LLVKDONJSA-N 2 0 222.336 0.861 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCCC[NH2+]1 ZINC000261562325 135203755 /nfs/dbraw/zinc/20/37/55/135203755.db2.gz BFNXYOQBTDZJRA-LPEHRKFASA-N 2 0 211.309 0.077 20 0 BCADRP COC(=O)C[C@H]1CCCN1CC(C)(C)[NH3+] ZINC000261562527 135204501 /nfs/dbraw/zinc/20/45/01/135204501.db2.gz BIYLBOHSAJPACF-SECBINFHSA-N 2 0 214.309 0.751 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000261567470 135209637 /nfs/dbraw/zinc/20/96/37/135209637.db2.gz ZUQNCKHROJAEQN-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP O[C@@H](C[NH2+][C@@H]1CCCSC1)C[NH+]1CCCC1 ZINC000163972297 135209938 /nfs/dbraw/zinc/20/99/38/135209938.db2.gz CMUBTVBVNLEORX-NEPJUHHUSA-N 2 0 244.404 0.928 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164397837 135227382 /nfs/dbraw/zinc/22/73/82/135227382.db2.gz PIFDNISZUWOLLE-ZRUFSTJUSA-N 2 0 225.336 0.310 20 0 BCADRP C[C@@H]([NH3+])CN1CC[NH2+]CC12CCCCC2 ZINC000261588261 135229613 /nfs/dbraw/zinc/22/96/13/135229613.db2.gz SHLMEJVMXOAFOH-LLVKDONJSA-N 2 0 211.353 0.942 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000261590663 135230866 /nfs/dbraw/zinc/23/08/66/135230866.db2.gz USYUOBXDNLKCRK-LPEHRKFASA-N 2 0 215.341 0.459 20 0 BCADRP C[C@H]([NH3+])CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000261591684 135231783 /nfs/dbraw/zinc/23/17/83/135231783.db2.gz VMDBDEWNDUFIPB-CMPLNLGQSA-N 2 0 211.353 0.655 20 0 BCADRP CC(C)CNC(=O)CN1CC[C@](C)(C[NH3+])C1 ZINC000261593065 135233260 /nfs/dbraw/zinc/23/32/60/135233260.db2.gz WKTMZOUMFHIXCA-GFCCVEGCSA-N 2 0 227.352 0.429 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)[C@@H](C)C[NH3+] ZINC000261593421 135233708 /nfs/dbraw/zinc/23/37/08/135233708.db2.gz WUKGGJTYKKBHPO-GUBZILKMSA-N 2 0 213.325 0.180 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000261593383 135233743 /nfs/dbraw/zinc/23/37/43/135233743.db2.gz WSOFBDHWBMASRX-IUCAKERBSA-N 2 0 215.341 0.603 20 0 BCADRP [NH3+]CC1CC[NH+](CCOCC(F)F)CC1 ZINC000261597971 135236800 /nfs/dbraw/zinc/23/68/00/135236800.db2.gz ZGUMZNCXCIJYKD-UHFFFAOYSA-N 2 0 222.279 0.939 20 0 BCADRP CNC(=O)CC[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261546669 135239237 /nfs/dbraw/zinc/23/92/37/135239237.db2.gz LERBBMQUTKPJJL-LLVKDONJSA-N 2 0 213.325 0.054 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000261547764 135241203 /nfs/dbraw/zinc/24/12/03/135241203.db2.gz MSJKLBRGOSXPHI-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP CCC[N@H+](C)CC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000261649997 135242745 /nfs/dbraw/zinc/24/27/45/135242745.db2.gz FJROVMJVEZYKEZ-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000261674107 135244919 /nfs/dbraw/zinc/24/49/19/135244919.db2.gz JHTUYAPGDSKJPT-YUSALJHKSA-N 2 0 237.347 0.337 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000261687258 135245811 /nfs/dbraw/zinc/24/58/11/135245811.db2.gz IAVGMJNRZIMGTR-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000261688066 135246087 /nfs/dbraw/zinc/24/60/87/135246087.db2.gz BXJHNERMHZBGAJ-VXGBXAGGSA-N 2 0 239.363 0.668 20 0 BCADRP c1cc(NCCNC2=[NH+]CCCN2)cc[nH+]1 ZINC000261701325 135246873 /nfs/dbraw/zinc/24/68/73/135246873.db2.gz CMDLKQJWKJPMQU-UHFFFAOYSA-N 2 0 219.292 0.432 20 0 BCADRP COCC[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261709223 135247526 /nfs/dbraw/zinc/24/75/26/135247526.db2.gz DIMJOAXJABZPLY-ZDUSSCGKSA-N 2 0 241.379 0.250 20 0 BCADRP C[C@H]([NH3+])CC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261732550 135248067 /nfs/dbraw/zinc/24/80/67/135248067.db2.gz MYKRLRWZDLTDLT-LBPRGKRZSA-N 2 0 249.358 0.754 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261729590 135248266 /nfs/dbraw/zinc/24/82/66/135248266.db2.gz HPLGOEBNVHXRLH-YFKTTZPYSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261738593 135249009 /nfs/dbraw/zinc/24/90/09/135249009.db2.gz IDTGNDPESGCDAF-XWLWVQCSSA-N 2 0 225.336 0.452 20 0 BCADRP C[C@@]1(CN(CCO)Cc2cccnc2)CC[NH2+]C1 ZINC000261747804 135249924 /nfs/dbraw/zinc/24/99/24/135249924.db2.gz JHJMSXCLUURAMQ-CQSZACIVSA-N 2 0 249.358 0.876 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261812780 135255136 /nfs/dbraw/zinc/25/51/36/135255136.db2.gz HBVUTVAUGOWZHF-WCQYABFASA-N 2 0 241.379 0.866 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261849808 135256856 /nfs/dbraw/zinc/25/68/56/135256856.db2.gz QHERNBPLKYSCDZ-NEPJUHHUSA-N 2 0 241.379 0.914 20 0 BCADRP [NH3+]CCN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261863004 135257824 /nfs/dbraw/zinc/25/78/24/135257824.db2.gz WPDUGAJHPBIIDL-GFCCVEGCSA-N 2 0 223.295 0.731 20 0 BCADRP C[C@H]([NH3+])CN(CC[NH3+])CCc1ccccc1 ZINC000261863313 135258542 /nfs/dbraw/zinc/25/85/42/135258542.db2.gz ZQPVUWGZOPUPHR-LBPRGKRZSA-N 2 0 221.348 0.837 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)[NH3+])C1 ZINC000261903341 135261846 /nfs/dbraw/zinc/26/18/46/135261846.db2.gz VIGAFRBUFCEZGI-NWDGAFQWSA-N 2 0 241.379 0.914 20 0 BCADRP C[NH+](C)CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261913760 135262494 /nfs/dbraw/zinc/26/24/94/135262494.db2.gz XWFRMSGJJHHTBB-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+][C@H](CC(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000261996362 135270732 /nfs/dbraw/zinc/27/07/32/135270732.db2.gz ZFMAJPBWQAJXGK-CHWSQXEVSA-N 2 0 247.342 0.930 20 0 BCADRP COCCO[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262012422 135272293 /nfs/dbraw/zinc/27/22/93/135272293.db2.gz MKDDZVKMQSRBKB-STQMWFEESA-N 2 0 242.363 0.723 20 0 BCADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@H](C(N)=O)C1 ZINC000262018919 135272970 /nfs/dbraw/zinc/27/29/70/135272970.db2.gz VZETWEFNJQODHS-PWSUYJOCSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000262018893 135273005 /nfs/dbraw/zinc/27/30/05/135273005.db2.gz VYGZNRASHNEGPF-KOLCDFICSA-N 2 0 225.336 0.100 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262025972 135273633 /nfs/dbraw/zinc/27/36/33/135273633.db2.gz DKARKPDOILADFD-NSHDSACASA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1CO ZINC000262022173 135273678 /nfs/dbraw/zinc/27/36/78/135273678.db2.gz WHOCTODCQMKYLJ-WOPDTQHZSA-N 2 0 212.337 0.546 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000262049249 135276260 /nfs/dbraw/zinc/27/62/60/135276260.db2.gz UVRWCPIYCBODNB-WDEREUQCSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@]1(C[N@@H+]2CCC[C@H](CC(N)=O)C2)CC[NH2+]C1 ZINC000262075437 135278127 /nfs/dbraw/zinc/27/81/27/135278127.db2.gz SODZOHCUBWVQPD-YPMHNXCESA-N 2 0 239.363 0.573 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000262128061 135280478 /nfs/dbraw/zinc/28/04/78/135280478.db2.gz NKURDZBDRIRORA-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H](CNC1=[NH+]CCCN1)[N@H+](C)C1CC1 ZINC000262174743 135284092 /nfs/dbraw/zinc/28/40/92/135284092.db2.gz VUIORKLDYDENBO-VIFPVBQESA-N 2 0 210.325 0.408 20 0 BCADRP C[C@H](CNC(=O)C(C)(C)[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000262185884 135284383 /nfs/dbraw/zinc/28/43/83/135284383.db2.gz SVSRWUUKHTVIFT-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)[NH+](C)C ZINC000262187239 135284699 /nfs/dbraw/zinc/28/46/99/135284699.db2.gz ZKERIBJVXGVVPZ-YPMHNXCESA-N 2 0 241.379 0.770 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC1=[NH+]CCCN1 ZINC000262199478 135285413 /nfs/dbraw/zinc/28/54/13/135285413.db2.gz ZZZSOWBTSUXAFB-JTQLQIEISA-N 2 0 212.341 0.656 20 0 BCADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C1C[NH2+]C1 ZINC000262247935 135288080 /nfs/dbraw/zinc/28/80/80/135288080.db2.gz PDRSLWUUVMNSMX-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C1C[NH2+]C1 ZINC000262247934 135288127 /nfs/dbraw/zinc/28/81/27/135288127.db2.gz PDRSLWUUVMNSMX-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]1C[C@H](N(C)C(=O)C2C[NH2+]C2)CC[N@@H+]1C ZINC000262265998 135288871 /nfs/dbraw/zinc/28/88/71/135288871.db2.gz SAZXZARKUQTRNP-GXSJLCMTSA-N 2 0 225.336 0.147 20 0 BCADRP C[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]1C ZINC000262281755 135289842 /nfs/dbraw/zinc/28/98/42/135289842.db2.gz ZGGZRZRPJXAACS-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342576632 135291176 /nfs/dbraw/zinc/29/11/76/135291176.db2.gz AHFZPAREJCQFTK-DGCLKSJQSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000262310265 135292102 /nfs/dbraw/zinc/29/21/02/135292102.db2.gz CVBUHGYYGBGMFM-RYUDHWBXSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000262307067 135292421 /nfs/dbraw/zinc/29/24/21/135292421.db2.gz CLBCUNWJDZJVNN-WOPDTQHZSA-N 2 0 241.379 0.960 20 0 BCADRP COCC[N@@H+]1CCC[C@H]1CNC1=[NH+]CCCN1 ZINC000262311394 135292548 /nfs/dbraw/zinc/29/25/48/135292548.db2.gz CWTKGECIGLHXFC-NSHDSACASA-N 2 0 240.351 0.036 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000262336166 135293734 /nfs/dbraw/zinc/29/37/34/135293734.db2.gz HGWJTYRQXKABDG-SDDRHHMPSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000262349086 135294645 /nfs/dbraw/zinc/29/46/45/135294645.db2.gz ITTVZBIRZWLGKM-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP [NH3+]C1(C(=O)NC[C@H]2CCC[NH2+]2)CCCCC1 ZINC000262404727 135295700 /nfs/dbraw/zinc/29/57/00/135295700.db2.gz AYZFWNKSBJZPAG-SNVBAGLBSA-N 2 0 225.336 0.516 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262374380 135297825 /nfs/dbraw/zinc/29/78/25/135297825.db2.gz MPISLLLOAYIXGO-ZPFDUUQYSA-N 2 0 239.363 0.700 20 0 BCADRP CSC1(CNC(N)=[NH2+])CC[NH+](C)CC1 ZINC000262375399 135298015 /nfs/dbraw/zinc/29/80/15/135298015.db2.gz NCDYWBUAPPHSPK-UHFFFAOYSA-N 2 0 216.354 0.297 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1CCCC[NH2+]1 ZINC000262439574 135299876 /nfs/dbraw/zinc/29/98/76/135299876.db2.gz MUXVGXWPXZVMPJ-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000262459479 135300131 /nfs/dbraw/zinc/30/01/31/135300131.db2.gz JCDBPMFLODLLBI-XWLWVQCSSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2C)CC[NH2+]1 ZINC000262453636 135300564 /nfs/dbraw/zinc/30/05/64/135300564.db2.gz UXSQQRRNTQTCGT-SDDRHHMPSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+]CCCN(Cc1ccccc1)C(=O)C1C[NH2+]C1 ZINC000262470043 135301055 /nfs/dbraw/zinc/30/10/55/135301055.db2.gz OPHXFMVRNQRMEG-UHFFFAOYSA-N 2 0 247.342 0.583 20 0 BCADRP [NH3+]CC1(C(=O)NCC2([NH3+])CCC2)CCCC1 ZINC000342596635 135301167 /nfs/dbraw/zinc/30/11/67/135301167.db2.gz SNNCMKBRKTYCHY-UHFFFAOYSA-N 2 0 225.336 0.503 20 0 BCADRP C[NH2+]CCC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000262476505 135301493 /nfs/dbraw/zinc/30/14/93/135301493.db2.gz YYBPGRFSGGZIAX-UHFFFAOYSA-N 2 0 249.358 0.844 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262478128 135302022 /nfs/dbraw/zinc/30/20/22/135302022.db2.gz ZEPWZPJALHTSMD-CABZTGNLSA-N 2 0 233.315 0.337 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)C[NH2+]CC1CC1 ZINC000262547280 135305601 /nfs/dbraw/zinc/30/56/01/135305601.db2.gz NBVJFFFDTNJFBH-LLVKDONJSA-N 2 0 225.336 0.326 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262572128 135305969 /nfs/dbraw/zinc/30/59/69/135305969.db2.gz BQWQFWJFCRGHBD-MNOVXSKESA-N 2 0 241.379 0.947 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)C[C@@H]1CCC[NH2+]1 ZINC000262588686 135306895 /nfs/dbraw/zinc/30/68/95/135306895.db2.gz QYNOZDWDXMDICZ-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000262585312 135306987 /nfs/dbraw/zinc/30/69/87/135306987.db2.gz UNAUWSQHETZEQT-RYUDHWBXSA-N 2 0 241.379 0.641 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C[NH2+]CC1CC1 ZINC000262588428 135307008 /nfs/dbraw/zinc/30/70/08/135307008.db2.gz AWGKNELTBHIXTN-LLVKDONJSA-N 2 0 227.352 0.620 20 0 BCADRP CCC[C@@H](C(=O)NCC1([NH3+])CCC1)[NH+](C)C ZINC000342667396 135308398 /nfs/dbraw/zinc/30/83/98/135308398.db2.gz RULSNLRORCCMFZ-JTQLQIEISA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000262620286 135308554 /nfs/dbraw/zinc/30/85/54/135308554.db2.gz IVUPPBHSYMKQKI-NWDGAFQWSA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262641848 135310552 /nfs/dbraw/zinc/31/05/52/135310552.db2.gz QPNYHCACRWPKFQ-NEPJUHHUSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000342750102 135311171 /nfs/dbraw/zinc/31/11/71/135311171.db2.gz KZMQOZGMBASDDG-USZNOCQGSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C[C@@H](C)[NH2+]1 ZINC000342751263 135311552 /nfs/dbraw/zinc/31/15/52/135311552.db2.gz NNYDTAWPWJKOGC-DDHJBXDOSA-N 2 0 239.363 0.583 20 0 BCADRP CCC[N@H+](C)CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342753322 135312199 /nfs/dbraw/zinc/31/21/99/135312199.db2.gz PQTOIRXSWJOPIO-CYBMUJFWSA-N 2 0 241.379 0.834 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000342721115 135314451 /nfs/dbraw/zinc/31/44/51/135314451.db2.gz SPPSKXSWYLMGPP-IJLUTSLNSA-N 2 0 239.363 0.585 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000262608725 135315218 /nfs/dbraw/zinc/31/52/18/135315218.db2.gz UEKFXZUHCKHSNJ-MXWKQRLJSA-N 2 0 229.368 0.994 20 0 BCADRP C(NC1=[NH+]CCCN1)C1CC[NH+](C2CC2)CC1 ZINC000262769511 135317220 /nfs/dbraw/zinc/31/72/20/135317220.db2.gz ILEVOLHSQCBPTH-UHFFFAOYSA-N 2 0 236.363 0.800 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)C[NH2+]CC2CC2)[C@H]1C ZINC000262779805 135317891 /nfs/dbraw/zinc/31/78/91/135317891.db2.gz LGUZXGMRDYXBRR-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP CC[NH+](CC)CC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262824252 135319977 /nfs/dbraw/zinc/31/99/77/135319977.db2.gz PVESDRCXECQJCX-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000262842037 135320783 /nfs/dbraw/zinc/32/07/83/135320783.db2.gz JAWKHVDMRDSCLH-WDEREUQCSA-N 2 0 227.352 0.583 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000262902620 135323290 /nfs/dbraw/zinc/32/32/90/135323290.db2.gz DSORFYSMCVXKQP-JFGNBEQYSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000262902625 135323478 /nfs/dbraw/zinc/32/34/78/135323478.db2.gz DSORFYSMCVXKQP-NHCYSSNCSA-N 2 0 225.336 0.454 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000262919733 135323878 /nfs/dbraw/zinc/32/38/78/135323878.db2.gz ZGPLPSVBFHBPSL-MDZLAQPJSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@]([NH3+])(C(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000262918968 135324083 /nfs/dbraw/zinc/32/40/83/135324083.db2.gz RPGWAKPQDNEXFO-TZMCWYRMSA-N 2 0 247.342 0.714 20 0 BCADRP [NH3+]CCN1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000262940036 135324350 /nfs/dbraw/zinc/32/43/50/135324350.db2.gz ITCIJGBUSYEUPA-LLVKDONJSA-N 2 0 225.336 0.183 20 0 BCADRP CC(C)(C)C(=O)NC[C@H]1CCCN(CC[NH3+])C1 ZINC000262984708 135325947 /nfs/dbraw/zinc/32/59/47/135325947.db2.gz MZAHFPVEKKIFKR-LLVKDONJSA-N 2 0 241.379 0.819 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000263098464 135332850 /nfs/dbraw/zinc/33/28/50/135332850.db2.gz ZCZBUHDNPPXZER-MDZLAQPJSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+]CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000263227956 135340689 /nfs/dbraw/zinc/34/06/89/135340689.db2.gz BGCXGKDJLZAQJE-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CN(C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])[C@@H]1CC[NH2+]C1 ZINC000263260533 135343702 /nfs/dbraw/zinc/34/37/02/135343702.db2.gz QVOYPDQAPZXVKX-NTZNESFSSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]CC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000263264656 135343729 /nfs/dbraw/zinc/34/37/29/135343729.db2.gz NDTTWRBMHJMKMR-SDDRHHMPSA-N 2 0 241.379 0.688 20 0 BCADRP C[NH+](C)CC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000334306563 135348821 /nfs/dbraw/zinc/34/88/21/135348821.db2.gz GZSYBTHCDHSGGM-GFCCVEGCSA-N 2 0 225.336 0.102 20 0 BCADRP C[C@@H]([NH3+])C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000334324067 135352913 /nfs/dbraw/zinc/35/29/13/135352913.db2.gz KFZWAAYTEUDKQK-SSDOTTSWSA-N 2 0 237.278 0.757 20 0 BCADRP COCC[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000081713801 135388537 /nfs/dbraw/zinc/38/85/37/135388537.db2.gz UVZZSXSJSPCDJM-RYUDHWBXSA-N 2 0 230.352 0.458 20 0 BCADRP [NH3+]CC1(O)CC[NH+](CC2CCCC2)CC1 ZINC000335624347 135418562 /nfs/dbraw/zinc/41/85/62/135418562.db2.gz BTMVPIMNLQXWGH-UHFFFAOYSA-N 2 0 212.337 0.962 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000085372771 135482634 /nfs/dbraw/zinc/48/26/34/135482634.db2.gz BPVMRGLBYSORDP-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)C[NH2+]C)C1 ZINC000086066555 135489749 /nfs/dbraw/zinc/48/97/49/135489749.db2.gz KAIIBRQMMZTUKS-QWRGUYRKSA-N 2 0 227.352 0.300 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[NH2+]CC1 ZINC000334916547 135841127 /nfs/dbraw/zinc/84/11/27/135841127.db2.gz BWJJWRVJSYNJHL-NSHDSACASA-N 2 0 240.351 0.086 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N(C)C1CC([NH3+])C1 ZINC000334934331 135845043 /nfs/dbraw/zinc/84/50/43/135845043.db2.gz ZOGIIJHNPKUYMV-AGVGLQIMSA-N 2 0 240.351 0.258 20 0 BCADRP CC1(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[NH2+]C1 ZINC000335025484 135867111 /nfs/dbraw/zinc/86/71/11/135867111.db2.gz TZNLWFBISAOGGT-WDEREUQCSA-N 2 0 237.347 0.100 20 0 BCADRP [NH3+]CCCC(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000366887006 135876834 /nfs/dbraw/zinc/87/68/34/135876834.db2.gz ZFBCJEXKMLMCJQ-RYUDHWBXSA-N 2 0 239.363 0.716 20 0 BCADRP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000335283179 136001276 /nfs/dbraw/zinc/00/12/76/136001276.db2.gz FSCJNUXITASEGO-VHSXEESVSA-N 2 0 249.289 0.757 20 0 BCADRP CC[C@H](C(=O)N[C@H](C)C[NH3+])[NH+](CC)CC ZINC000347688462 136004886 /nfs/dbraw/zinc/00/48/86/136004886.db2.gz MTZNAXNRHFCZHX-NXEZZACHSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC[NH3+] ZINC000335293908 136004892 /nfs/dbraw/zinc/00/48/92/136004892.db2.gz HKPMYWVBMOLKHP-QWRGUYRKSA-N 2 0 240.351 0.213 20 0 BCADRP CC[C@@H](C(=O)N[C@@H](C)C[NH3+])[NH+](CC)CC ZINC000347688473 136005204 /nfs/dbraw/zinc/00/52/04/136005204.db2.gz MTZNAXNRHFCZHX-UWVGGRQHSA-N 2 0 215.341 0.570 20 0 BCADRP C[C@@H]([NH3+])CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000335308990 136028187 /nfs/dbraw/zinc/02/81/87/136028187.db2.gz RXHOMTNLHPLAMM-PWSUYJOCSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]([NH3+])CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000335308991 136028291 /nfs/dbraw/zinc/02/82/91/136028291.db2.gz RXHOMTNLHPLAMM-ZYHUDNBSSA-N 2 0 211.353 0.798 20 0 BCADRP [NH3+][C@H]1CCC[C@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000335347053 136066952 /nfs/dbraw/zinc/06/69/52/136066952.db2.gz QYVCVBGXKPVPEM-UWVGGRQHSA-N 2 0 225.336 0.502 20 0 BCADRP CN(C(=O)c1ccc(C[NH3+])cc1)C1CC([NH3+])C1 ZINC000335347108 136067099 /nfs/dbraw/zinc/06/70/99/136067099.db2.gz RRAVVQGFPYEOGP-UHFFFAOYSA-N 2 0 233.315 0.707 20 0 BCADRP C[C@]1(C[NH3+])CCN(C(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000335351178 136068979 /nfs/dbraw/zinc/06/89/79/136068979.db2.gz OJEHXJMNMAIFNE-CHWSQXEVSA-N 2 0 239.363 0.573 20 0 BCADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)C1([NH3+])CCC1 ZINC000335354216 136070271 /nfs/dbraw/zinc/07/02/71/136070271.db2.gz FHTQVOUFSFFPNB-JTQLQIEISA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)C)CC[N@@H+]1C ZINC000348344397 136071568 /nfs/dbraw/zinc/07/15/68/136071568.db2.gz WKRUTQGCZVYABF-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC[NH2+]CC1 ZINC000335368133 136082184 /nfs/dbraw/zinc/08/21/84/136082184.db2.gz SQVOYGUBFXWOBQ-VHSXEESVSA-N 2 0 228.340 0.117 20 0 BCADRP [NH3+]C1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000335382679 136087871 /nfs/dbraw/zinc/08/78/71/136087871.db2.gz ZVAHIUJGTJKMQQ-JQWIXIFHSA-N 2 0 239.363 0.844 20 0 BCADRP [NH3+]CC1(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CCCC1 ZINC000335383657 136087967 /nfs/dbraw/zinc/08/79/67/136087967.db2.gz CJQYOQWNHDWYQT-DTORHVGOSA-N 2 0 211.309 0.111 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000335387814 136089561 /nfs/dbraw/zinc/08/95/61/136089561.db2.gz UKMCQWXKOCPQGW-CMPLNLGQSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@@H+]1CC[C@H]2CCN(C(=O)CCC[NH3+])[C@@H]2C1 ZINC000335390862 136090633 /nfs/dbraw/zinc/09/06/33/136090633.db2.gz YLYZKUJSPMIUSG-WDEREUQCSA-N 2 0 225.336 0.278 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH3+])[C@H]2C1 ZINC000335390860 136090690 /nfs/dbraw/zinc/09/06/90/136090690.db2.gz YLYZKUJSPMIUSG-MNOVXSKESA-N 2 0 225.336 0.278 20 0 BCADRP [NH3+][C@@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000335396194 136092498 /nfs/dbraw/zinc/09/24/98/136092498.db2.gz RVJBQBKJYOQFBF-DGCLKSJQSA-N 2 0 237.347 0.326 20 0 BCADRP O=C1NCC[C@@H]1[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000335397760 136092839 /nfs/dbraw/zinc/09/28/39/136092839.db2.gz YAIZTXVOFXRLQK-NEPJUHHUSA-N 2 0 237.347 0.196 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000335398630 136093440 /nfs/dbraw/zinc/09/34/40/136093440.db2.gz IXZNSUJUWGBIKD-PWSUYJOCSA-N 2 0 233.315 0.473 20 0 BCADRP CN(C(=O)C1CC[NH+](C)CC1)C1CC([NH3+])C1 ZINC000335364383 136095095 /nfs/dbraw/zinc/09/50/95/136095095.db2.gz ZPSHRMOVKYWPRF-UHFFFAOYSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N2CC[NH2+]C(C)(C)C2)CC[NH2+]1 ZINC000335596892 136105279 /nfs/dbraw/zinc/10/52/79/136105279.db2.gz DBDYNTZUFBGORE-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1NCC(=O)NCC1CC1 ZINC000166196703 136116867 /nfs/dbraw/zinc/11/68/67/136116867.db2.gz OTWOFXRTKHIRNT-JQWIXIFHSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)C[C@H](C)[NH2+]1 ZINC000644087172 397754649 /nfs/dbraw/zinc/75/46/49/397754649.db2.gz HSQGSZIDNJAQPI-KXUCPTDWSA-N 2 0 225.336 0.193 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000580828393 397773709 /nfs/dbraw/zinc/77/37/09/397773709.db2.gz NPRAKCXFCXYDQK-VWYCJHECSA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)(C[NH3+])NC(=O)c1ccc(C[NH3+])o1 ZINC000381625738 397774547 /nfs/dbraw/zinc/77/45/47/397774547.db2.gz LAJFZOHAFKDAKE-UHFFFAOYSA-N 2 0 211.265 0.205 20 0 BCADRP CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000356117158 397928406 /nfs/dbraw/zinc/92/84/06/397928406.db2.gz MPNAILFRKXBVPH-LLVKDONJSA-N 2 0 242.367 0.284 20 0 BCADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000647697710 397930472 /nfs/dbraw/zinc/93/04/72/397930472.db2.gz CYEOWWYEXDTNQM-GRYCIOLGSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccn(C)n1 ZINC000629531272 397936729 /nfs/dbraw/zinc/93/67/29/397936729.db2.gz GIRNSSZHVARPBM-SNVBAGLBSA-N 2 0 226.324 0.307 20 0 BCADRP O=C1CC[C@@H](C[NH+]2CCC(n3ccnc3)CC2)N1 ZINC000649548990 397944111 /nfs/dbraw/zinc/94/41/11/397944111.db2.gz ONWLRRHCUMGGEX-NSHDSACASA-N 2 0 248.330 0.799 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000449554862 397955281 /nfs/dbraw/zinc/95/52/81/397955281.db2.gz FESRBPPVIPNJQG-FOGDFJRCSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000449554861 397955324 /nfs/dbraw/zinc/95/53/24/397955324.db2.gz FESRBPPVIPNJQG-CKYFFXLPSA-N 2 0 239.363 0.713 20 0 BCADRP C[NH2+]CCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000646875092 397914744 /nfs/dbraw/zinc/91/47/44/397914744.db2.gz FRFZZZLJTWEVKO-ZACCUICWSA-N 2 0 225.336 0.337 20 0 BCADRP CC(C)OCCC[N@H+](C)CCOCC[NH3+] ZINC000382879065 397990135 /nfs/dbraw/zinc/99/01/35/397990135.db2.gz RFIDQNSLYPPHQF-UHFFFAOYSA-N 2 0 218.341 0.709 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000382948118 397991002 /nfs/dbraw/zinc/99/10/02/397991002.db2.gz KVJLGYPCAOBRGN-QWRGUYRKSA-N 2 0 241.379 0.973 20 0 BCADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000418201695 397991922 /nfs/dbraw/zinc/99/19/22/397991922.db2.gz SEYKXMLGOPPCEY-WDEREUQCSA-N 2 0 242.367 0.458 20 0 BCADRP CC[C@]1(C(=O)N2CCC(C)([NH3+])CC2)CCC[NH2+]1 ZINC000648121301 398004650 /nfs/dbraw/zinc/00/46/50/398004650.db2.gz ATMUTKRQCZTGOX-CYBMUJFWSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000372497456 398004675 /nfs/dbraw/zinc/00/46/75/398004675.db2.gz UENACKQRMLKBEF-WZRBSPASSA-N 2 0 239.363 0.442 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000372508004 398005859 /nfs/dbraw/zinc/00/58/59/398005859.db2.gz UAAOXPXNZVIHNG-USZNOCQGSA-N 2 0 239.363 0.841 20 0 BCADRP [NH3+][C@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000372901203 398006935 /nfs/dbraw/zinc/00/69/35/398006935.db2.gz BXHDTFHRNDVJGV-CMPLNLGQSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953112 398009516 /nfs/dbraw/zinc/00/95/16/398009516.db2.gz BUIXWNYACCSGJX-MWLCHTKSSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953142 398010067 /nfs/dbraw/zinc/01/00/67/398010067.db2.gz DJZJXIBPBUQKTM-ONGXEEELSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000564950014 398048019 /nfs/dbraw/zinc/04/80/19/398048019.db2.gz AVYITWDKRLOQIW-YTWAJWBKSA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)(C)[NH2+]CCN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000414764993 398027797 /nfs/dbraw/zinc/02/77/97/398027797.db2.gz FKPMNVKPPHNPJL-RYUDHWBXSA-N 2 0 225.380 0.916 20 0 BCADRP CC(C)(C)[NH2+]CCN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000414764994 398027905 /nfs/dbraw/zinc/02/79/05/398027905.db2.gz FKPMNVKPPHNPJL-VXGBXAGGSA-N 2 0 225.380 0.916 20 0 BCADRP CC(C)(C)[NH2+]CCN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000414764991 398028340 /nfs/dbraw/zinc/02/83/40/398028340.db2.gz FKPMNVKPPHNPJL-NEPJUHHUSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@@H]1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)[C@@H]1C[NH3+] ZINC000637847939 398029701 /nfs/dbraw/zinc/02/97/01/398029701.db2.gz QATIXKODIXRCIP-ADEWGFFLSA-N 2 0 237.347 0.620 20 0 BCADRP C[C@@H]1CCCN(C(=O)C2=CC[C@@H]([NH3+])C2)[C@@H]1C[NH3+] ZINC000637847942 398029707 /nfs/dbraw/zinc/02/97/07/398029707.db2.gz QATIXKODIXRCIP-YUSALJHKSA-N 2 0 237.347 0.620 20 0 BCADRP C[C@@H]1CCCN(C(=O)C2=CC[C@@H]([NH3+])C2)[C@H]1C[NH3+] ZINC000637847940 398029769 /nfs/dbraw/zinc/02/97/69/398029769.db2.gz QATIXKODIXRCIP-JLLWLGSASA-N 2 0 237.347 0.620 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)CCC1C[NH2+]C1 ZINC000637863333 398032476 /nfs/dbraw/zinc/03/24/76/398032476.db2.gz XZWGQEWCRITJKA-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP Cc1ncccc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414774361 398033245 /nfs/dbraw/zinc/03/32/45/398033245.db2.gz AZBSUUXEXPXASE-UHFFFAOYSA-N 2 0 248.374 0.775 20 0 BCADRP CC[NH2+]CCNC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000418317510 398033300 /nfs/dbraw/zinc/03/33/00/398033300.db2.gz MWFUOIKEPVZRDY-MNOVXSKESA-N 2 0 242.367 0.365 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000564726873 398039421 /nfs/dbraw/zinc/03/94/21/398039421.db2.gz NEVMUPTWLCZFRT-QWRGUYRKSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)OCCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000382856264 397984886 /nfs/dbraw/zinc/98/48/86/397984886.db2.gz LJNBJTHLJBIQCT-UHFFFAOYSA-N 2 0 243.395 0.639 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC1CC1 ZINC000393048300 398062206 /nfs/dbraw/zinc/06/22/06/398062206.db2.gz DKQYSSFWYWMANP-RYUDHWBXSA-N 2 0 239.363 0.620 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NCC[N@H+](C)C(C)C ZINC000638096254 398075643 /nfs/dbraw/zinc/07/56/43/398075643.db2.gz GOBUTZXOXVNUHO-SNVBAGLBSA-N 2 0 215.341 0.441 20 0 BCADRP COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccnc(N)c1 ZINC000649763963 398091412 /nfs/dbraw/zinc/09/14/12/398091412.db2.gz LSIJJLMKDMGZET-GHMZBOCLSA-N 2 0 237.303 0.076 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000384744258 398104206 /nfs/dbraw/zinc/10/42/06/398104206.db2.gz LSUGNOGZVAESQE-NOOOWODRSA-N 2 0 230.352 0.896 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000236936267 398118399 /nfs/dbraw/zinc/11/83/99/398118399.db2.gz MFJJBKSXMMPTFK-KKZNHRDASA-N 2 0 225.336 0.465 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@@H]([NH3+])CCC(C)C ZINC000638512256 398111723 /nfs/dbraw/zinc/11/17/23/398111723.db2.gz HVTFWLQIAXNDPJ-JTQLQIEISA-N 2 0 215.341 0.557 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000389568324 398113716 /nfs/dbraw/zinc/11/37/16/398113716.db2.gz ASLJFLKRWHDWSQ-MRVPVSSYSA-N 2 0 201.314 0.167 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649276606 398135062 /nfs/dbraw/zinc/13/50/62/398135062.db2.gz QTCLDKUVYVQASU-GDNZZTSVSA-N 2 0 239.363 0.300 20 0 BCADRP CC(C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037859717 167006382 /nfs/dbraw/zinc/00/63/82/167006382.db2.gz NTWSOJNLVPLKIM-NSHDSACASA-N 2 0 200.326 0.689 20 0 BCADRP C[NH+]1CCC(C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000257663291 322872570 /nfs/dbraw/zinc/87/25/70/322872570.db2.gz DUJLNZCPVJONEO-UHFFFAOYSA-N 2 0 239.363 0.714 20 0 BCADRP COCCOCCN1CCC[C@@H]1C[NH3+] ZINC000070027573 174354111 /nfs/dbraw/zinc/35/41/11/174354111.db2.gz KBUQKZBEAZTRMI-SNVBAGLBSA-N 2 0 202.298 0.073 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)C[NH2+]C(C)C)CC1 ZINC000037609814 487560037 /nfs/dbraw/zinc/56/00/37/487560037.db2.gz UHRIPKPCBCIWEV-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H](CNC(=O)CC1([NH3+])CCC1)[NH+](C)C ZINC000086853382 487566176 /nfs/dbraw/zinc/56/61/76/487566176.db2.gz YPOOAVYKOVHTIX-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000151829143 487567510 /nfs/dbraw/zinc/56/75/10/487567510.db2.gz JNJZYEHWXIXCED-LLVKDONJSA-N 2 0 227.352 0.633 20 0 BCADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](C)[NH3+] ZINC000669389278 487584920 /nfs/dbraw/zinc/58/49/20/487584920.db2.gz QPHNMOPHSSNRPO-QWRGUYRKSA-N 2 0 244.383 0.609 20 0 BCADRP [NH3+]CCC1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000238554140 487586636 /nfs/dbraw/zinc/58/66/36/487586636.db2.gz OUBSNMDTVWSGQO-UHFFFAOYSA-N 2 0 208.309 0.971 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCOC1(C)C ZINC000383163431 487589766 /nfs/dbraw/zinc/58/97/66/487589766.db2.gz MFMROKLFSHIXFM-NWDGAFQWSA-N 2 0 244.379 0.845 20 0 BCADRP CN(C(=O)[C@H]1[NH2+]CCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000662415474 487604326 /nfs/dbraw/zinc/60/43/26/487604326.db2.gz QUNVDNYCNCOISI-VHSXEESVSA-N 2 0 225.336 0.195 20 0 BCADRP CN(C(=O)[C@@H]1[NH2+]CCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000662415475 487604558 /nfs/dbraw/zinc/60/45/58/487604558.db2.gz QUNVDNYCNCOISI-ZJUUUORDSA-N 2 0 225.336 0.195 20 0 BCADRP CN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000226018913 487609009 /nfs/dbraw/zinc/60/90/09/487609009.db2.gz DQVCAQJQDKLCRB-GRYCIOLGSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]1CCCN(C[C@@H]2C[NH2+]CCO2)[C@@H]1C[NH3+] ZINC000662244078 409533567 /nfs/dbraw/zinc/53/35/67/409533567.db2.gz GKXOKXLLQCJRHM-GRYCIOLGSA-N 2 0 227.352 0.034 20 0 BCADRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662247257 409543364 /nfs/dbraw/zinc/54/33/64/409543364.db2.gz WFRLWLNENJZZQD-BTTYYORXSA-N 2 0 237.391 0.870 20 0 BCADRP C[C@H]1CSCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254126 409552663 /nfs/dbraw/zinc/55/26/63/409552663.db2.gz FZUYUTFCOWSUFW-WDEREUQCSA-N 2 0 242.388 0.945 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@@](C)(C[NH3+])C1)OC ZINC000662273185 409580290 /nfs/dbraw/zinc/58/02/90/409580290.db2.gz MIMXXAMAFWSIRL-QWRGUYRKSA-N 2 0 216.325 0.319 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)OC ZINC000662273211 409581517 /nfs/dbraw/zinc/58/15/17/409581517.db2.gz KGMFJKAGJMZWNQ-WOPDTQHZSA-N 2 0 228.336 0.332 20 0 BCADRP [NH3+]CCC1CC[NH+](C[C@H]2CNCCO2)CC1 ZINC000662282491 409608805 /nfs/dbraw/zinc/60/88/05/409608805.db2.gz AMHWDWUZIQTTBY-GFCCVEGCSA-N 2 0 227.352 0.036 20 0 BCADRP CN1CCC[C@H]([NH+]2CCC(CC[NH3+])CC2)C1=O ZINC000662284810 409615065 /nfs/dbraw/zinc/61/50/65/409615065.db2.gz PODASUQHRXKEGH-LBPRGKRZSA-N 2 0 239.363 0.668 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000662404214 409699795 /nfs/dbraw/zinc/69/97/95/409699795.db2.gz MDWQRLXIZQVHHJ-UWVGGRQHSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2[NH2+]CCC2(C)C)CC[NH2+]1 ZINC000662416824 409706988 /nfs/dbraw/zinc/70/69/88/409706988.db2.gz BSIIILDISPDYFS-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)([NH3+])CNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662424438 409709065 /nfs/dbraw/zinc/70/90/65/409709065.db2.gz SEEBZDHVLJCNJG-UHFFFAOYSA-N 2 0 225.336 0.502 20 0 BCADRP C[C@@H]1CCCN(C(=O)CC2([NH3+])CC2)[C@H]1C[NH3+] ZINC000662425202 409709540 /nfs/dbraw/zinc/70/95/40/409709540.db2.gz YJMZFKZVYHXMHW-ZJUUUORDSA-N 2 0 225.336 0.454 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000662440338 409723045 /nfs/dbraw/zinc/72/30/45/409723045.db2.gz XQBXSHHDCNYMFW-NEPJUHHUSA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000662515533 409743215 /nfs/dbraw/zinc/74/32/15/409743215.db2.gz VUFJITSQAUBIQQ-GARJFASQSA-N 2 0 225.336 0.147 20 0 BCADRP C[C@H]([NH3+])CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662558471 409758190 /nfs/dbraw/zinc/75/81/90/409758190.db2.gz FZDJQBIMSUPGLP-JOYOIKCWSA-N 2 0 233.315 0.684 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662432754 409713246 /nfs/dbraw/zinc/71/32/46/409713246.db2.gz SETMENFCUBHLAI-GUBZILKMSA-N 2 0 213.325 0.357 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)C1(C[NH3+])CCCC1 ZINC000662680580 409828614 /nfs/dbraw/zinc/82/86/14/409828614.db2.gz JWTXTFHWTFCMLM-UHFFFAOYSA-N 2 0 237.347 0.455 20 0 BCADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662681261 409831897 /nfs/dbraw/zinc/83/18/97/409831897.db2.gz DLBGHGKJVNPSAN-MNOVXSKESA-N 2 0 239.363 0.442 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662684486 409834419 /nfs/dbraw/zinc/83/44/19/409834419.db2.gz ZVVHNSSCFXSJIR-MGCOHNPYSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653126042 409836140 /nfs/dbraw/zinc/83/61/40/409836140.db2.gz HVYZIDYWNFBQDH-IEBDPFPHSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[NH2+]1 ZINC000653136404 409856760 /nfs/dbraw/zinc/85/67/60/409856760.db2.gz OJMWGQQIXMTXSC-NNYUYHANSA-N 2 0 239.363 0.761 20 0 BCADRP [NH3+][C@H](CNC(=O)[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000653127529 409838194 /nfs/dbraw/zinc/83/81/94/409838194.db2.gz HHPNARPUJADYMU-WDEREUQCSA-N 2 0 225.336 0.230 20 0 BCADRP [NH3+][C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CC1 ZINC000653127716 409838730 /nfs/dbraw/zinc/83/87/30/409838730.db2.gz XGZQZZYZIBRLFN-HBNTYKKESA-N 2 0 225.336 0.357 20 0 BCADRP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653133588 409849629 /nfs/dbraw/zinc/84/96/29/409849629.db2.gz RIJYMFGQBRZANK-TUAOUCFPSA-N 2 0 239.363 0.762 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653134965 409853314 /nfs/dbraw/zinc/85/33/14/409853314.db2.gz OCKWLLRYHUPINM-NNYUYHANSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC[C@H](C)[NH+](C)C ZINC000662632385 409804426 /nfs/dbraw/zinc/80/44/26/409804426.db2.gz CUCKNXBMJWFXJV-BDAKNGLRSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@H](CCNC(=O)[C@@H](C)[C@H](C)[NH3+])[NH+](C)C ZINC000662635487 409807571 /nfs/dbraw/zinc/80/75/71/409807571.db2.gz WGPVWQNCJZAHPZ-UTLUCORTSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662647725 409809211 /nfs/dbraw/zinc/80/92/11/409809211.db2.gz CLLMTCPIWGSXQJ-UWVGGRQHSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653110267 409815406 /nfs/dbraw/zinc/81/54/06/409815406.db2.gz BDGLFRFPEHSRKO-LBPRGKRZSA-N 2 0 241.379 0.834 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000662782225 409910561 /nfs/dbraw/zinc/91/05/61/409910561.db2.gz CNWIANHTQRPGRJ-OUAUKWLOSA-N 2 0 239.363 0.618 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000662783950 409914868 /nfs/dbraw/zinc/91/48/68/409914868.db2.gz SOECJGKKLCVDNC-YUMQZZPRSA-N 2 0 249.305 0.473 20 0 BCADRP C[NH+]1CCC(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000662717236 409868670 /nfs/dbraw/zinc/86/86/70/409868670.db2.gz MLSWDZQYNAMATA-UHFFFAOYSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653144776 409869329 /nfs/dbraw/zinc/86/93/29/409869329.db2.gz CNQVLIOSTJZUIU-AATLWQCWSA-N 2 0 213.325 0.356 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653144854 409869377 /nfs/dbraw/zinc/86/93/77/409869377.db2.gz JIYOOOJFJLVSJQ-DCAQKATOSA-N 2 0 225.336 0.371 20 0 BCADRP CN(C(=O)[C@@H]1CCC[NH2+]CC1)C1CC([NH3+])C1 ZINC000653145304 409869819 /nfs/dbraw/zinc/86/98/19/409869819.db2.gz CIKIEOUCPIPFNW-KPPDAEKUSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000653146973 409872006 /nfs/dbraw/zinc/87/20/06/409872006.db2.gz IUABEFJZGGEMTK-FIQHERPVSA-N 2 0 239.363 0.748 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C1CC[NH+](C)CC1 ZINC000662730482 409874734 /nfs/dbraw/zinc/87/47/34/409874734.db2.gz GNIVGYONDPRNST-GFCCVEGCSA-N 2 0 241.379 0.818 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662746400 409880228 /nfs/dbraw/zinc/88/02/28/409880228.db2.gz KVRXIWYVYIPELX-KKZNHRDASA-N 2 0 231.315 0.402 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662757083 409882214 /nfs/dbraw/zinc/88/22/14/409882214.db2.gz LQOCYERBEYKGIN-VIFPVBQESA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000308588241 409886183 /nfs/dbraw/zinc/88/61/83/409886183.db2.gz JHFAJDWTFHBEPE-AXFHLTTASA-N 2 0 200.326 0.830 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000662766376 409890044 /nfs/dbraw/zinc/89/00/44/409890044.db2.gz MCDSYCKEXFYTEP-UHFZAUJKSA-N 2 0 237.347 0.310 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000662771302 409893307 /nfs/dbraw/zinc/89/33/07/409893307.db2.gz WWXPKHAVTDMCNC-GMTAPVOTSA-N 2 0 239.363 0.761 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC[NH2+]1 ZINC000662770809 409893525 /nfs/dbraw/zinc/89/35/25/409893525.db2.gz REPAUQWGXKZYTG-GMTAPVOTSA-N 2 0 225.336 0.180 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662851895 409953434 /nfs/dbraw/zinc/95/34/34/409953434.db2.gz FERQTJIRJXQWOS-GMTAPVOTSA-N 2 0 239.363 0.713 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000662952832 409986334 /nfs/dbraw/zinc/98/63/34/409986334.db2.gz HWIQBALCQWFZRO-YFKTTZPYSA-N 2 0 239.363 0.631 20 0 BCADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662803065 409928647 /nfs/dbraw/zinc/92/86/47/409928647.db2.gz UXQMPRHUSJSFBJ-MGCOHNPYSA-N 2 0 225.336 0.276 20 0 BCADRP C[C@@H]1C[C@H](C)N(C(=O)CC2([NH3+])CC2)C[C@@H]1C[NH3+] ZINC000662816380 409933251 /nfs/dbraw/zinc/93/32/51/409933251.db2.gz AXKLMVRLUVAJAU-VWYCJHECSA-N 2 0 239.363 0.700 20 0 BCADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000051889729 409937509 /nfs/dbraw/zinc/93/75/09/409937509.db2.gz PFMINRXJKRWPFA-CYBMUJFWSA-N 3 0 225.380 0.870 20 0 BCADRP C[NH2+]CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662839041 409946496 /nfs/dbraw/zinc/94/64/96/409946496.db2.gz OUTFAHLIQAWXCU-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000662965626 409996754 /nfs/dbraw/zinc/99/67/54/409996754.db2.gz RRKZUXDVFVDEES-UWVGGRQHSA-N 2 0 213.325 0.243 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662969357 409999397 /nfs/dbraw/zinc/99/93/97/409999397.db2.gz LXFQDDSUUNLZTQ-RKDXNWHRSA-N 2 0 213.325 0.099 20 0 BCADRP O=C(NCCC[NH2+]C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000653167890 410135522 /nfs/dbraw/zinc/13/55/22/410135522.db2.gz IDRDHPAKERHZMQ-LLVKDONJSA-N 2 0 239.363 0.634 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655413047 410216015 /nfs/dbraw/zinc/21/60/15/410216015.db2.gz JTQZASNBLFUOQV-ZYHUDNBSSA-N 2 0 225.336 0.102 20 0 BCADRP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCC[NH2+]CC1 ZINC000655411700 410216125 /nfs/dbraw/zinc/21/61/25/410216125.db2.gz HLFFFLDBIXGEKI-WCQYABFASA-N 2 0 237.347 0.198 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1CC[NH2+]1 ZINC000653214440 410167479 /nfs/dbraw/zinc/16/74/79/410167479.db2.gz VIZWGYOUKGJIHY-GFCCVEGCSA-N 2 0 233.315 0.384 20 0 BCADRP CC1(C)C[NH2+][C@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653221334 410171110 /nfs/dbraw/zinc/17/11/10/410171110.db2.gz RVCPVNSJPDJIDX-VIFPVBQESA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000653223000 410171473 /nfs/dbraw/zinc/17/14/73/410171473.db2.gz YZQHTBGCRRKYLP-GHMZBOCLSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]CCCC(=O)NCc1ccc(C[NH3+])cc1F ZINC000653225931 410172498 /nfs/dbraw/zinc/17/24/98/410172498.db2.gz KNWLIFIVUJPOJF-UHFFFAOYSA-N 2 0 239.294 0.640 20 0 BCADRP [NH3+]CCC(=O)NCc1ccc(C[NH3+])cc1F ZINC000653225941 410172535 /nfs/dbraw/zinc/17/25/35/410172535.db2.gz LHMAMBVZMDLBJB-UHFFFAOYSA-N 2 0 225.267 0.249 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000653233100 410175234 /nfs/dbraw/zinc/17/52/34/410175234.db2.gz QFCBTKCROWXMDX-SDDRHHMPSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000653239983 410181175 /nfs/dbraw/zinc/18/11/75/410181175.db2.gz IFCPNPUHGLQACH-GMTAPVOTSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000653240399 410181212 /nfs/dbraw/zinc/18/12/12/410181212.db2.gz NLHVMDAOGKDYFP-RHYQMDGZSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H]1CCCN(C(=O)C[NH2+]C2CC2)[C@@H]1CC[NH3+] ZINC000653239809 410181705 /nfs/dbraw/zinc/18/17/05/410181705.db2.gz FQEFGTVOLYQRKT-ZYHUDNBSSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000653240396 410182062 /nfs/dbraw/zinc/18/20/62/410182062.db2.gz NLHVMDAOGKDYFP-BJDJZHNGSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)[C@@H]1CC[NH3+] ZINC000653241227 410183308 /nfs/dbraw/zinc/18/33/08/410183308.db2.gz YTSOCHROQDPQII-GMTAPVOTSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC000653256448 410238506 /nfs/dbraw/zinc/23/85/06/410238506.db2.gz KNOANXNRFNTLIH-VIFPVBQESA-N 2 0 213.325 0.169 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655450478 410272271 /nfs/dbraw/zinc/27/22/71/410272271.db2.gz PRUDXTZYQCTKPH-SCVCMEIPSA-N 2 0 225.336 0.087 20 0 BCADRP [NH3+]Cc1ccc(CNC[C@]23C[C@H]2C[NH2+]C3)c(F)c1 ZINC000663496196 410274520 /nfs/dbraw/zinc/27/45/20/410274520.db2.gz DAEKMTKEAJNTMT-JSGCOSHPSA-N 2 0 249.333 0.984 20 0 BCADRP [NH3+]C[C@@H]1CCN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)C1 ZINC000655416480 410221365 /nfs/dbraw/zinc/22/13/65/410221365.db2.gz VWXZJKCHSSXFFZ-DMDPSCGWSA-N 2 0 237.347 0.183 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655415961 410222266 /nfs/dbraw/zinc/22/22/66/410222266.db2.gz UXVRPIYZCVQGEY-JFGNBEQYSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)CC[NH2+]C1CC1 ZINC000655415917 410222449 /nfs/dbraw/zinc/22/24/49/410222449.db2.gz SRQVGKQJLJIMCA-LLVKDONJSA-N 2 0 227.352 0.618 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655416843 410224054 /nfs/dbraw/zinc/22/40/54/410224054.db2.gz BSIUXVPFIDIHRN-JQWIXIFHSA-N 2 0 225.336 0.183 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655416844 410224422 /nfs/dbraw/zinc/22/44/22/410224422.db2.gz BSIUXVPFIDIHRN-PWSUYJOCSA-N 2 0 225.336 0.183 20 0 BCADRP [NH3+]CC1(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000650709894 410340073 /nfs/dbraw/zinc/34/00/73/410340073.db2.gz WFVQNYJJFYDLOD-AAEUAGOBSA-N 3 0 223.364 0.786 20 0 BCADRP [NH3+]C1(CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CCC1 ZINC000655452047 410290637 /nfs/dbraw/zinc/29/06/37/410290637.db2.gz AIWRWSLGSNBTCR-ZYHUDNBSSA-N 2 0 237.347 0.374 20 0 BCADRP CC[C@H]([NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000653266830 410309200 /nfs/dbraw/zinc/30/92/00/410309200.db2.gz GDDYYJPSMGKTKO-JTQLQIEISA-N 2 0 213.325 0.230 20 0 BCADRP CC(C)([NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000653267756 410316879 /nfs/dbraw/zinc/31/68/79/410316879.db2.gz VWDFLXGQHDTDED-UHFFFAOYSA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]Cc1ccccc1C[NH2+]CCC[NH3+] ZINC000650720326 410357356 /nfs/dbraw/zinc/35/73/56/410357356.db2.gz LNOKWEPTXJEAOM-UHFFFAOYSA-N 3 0 207.321 0.844 20 0 BCADRP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]CCC[NH3+] ZINC000650725028 410359495 /nfs/dbraw/zinc/35/94/95/410359495.db2.gz RTHQRGMIFSVMPS-NSHDSACASA-N 2 0 235.331 0.701 20 0 BCADRP [NH3+]CCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650724768 410360480 /nfs/dbraw/zinc/36/04/80/410360480.db2.gz LXBQOUJTADYHNN-YNEHKIRRSA-N 3 0 241.379 0.696 20 0 BCADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)CC(N)=O ZINC000650760291 410407461 /nfs/dbraw/zinc/40/74/61/410407461.db2.gz ZZAPFFZZQSYNNO-JTQLQIEISA-N 2 0 235.331 0.760 20 0 BCADRP C[C@H](CS(C)(=O)=O)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762837 410411762 /nfs/dbraw/zinc/41/17/62/410411762.db2.gz LLEMJCKKEKDGRJ-SNVBAGLBSA-N 2 0 248.392 0.399 20 0 BCADRP COC[C@@H](CCC[NH3+])[NH2+]CCC1CC[NH2+]CC1 ZINC000650762279 410411788 /nfs/dbraw/zinc/41/17/88/410411788.db2.gz YYPALXXZHIJYTF-CYBMUJFWSA-N 3 0 243.395 0.720 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000655457814 410522191 /nfs/dbraw/zinc/52/21/91/410522191.db2.gz FFQWEHJRAVETKU-ZYHUDNBSSA-N 2 0 237.347 0.339 20 0 BCADRP O=C([C@H]1C[C@]12CCC[NH2+]C2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000655460146 410571227 /nfs/dbraw/zinc/57/12/27/410571227.db2.gz WMRPGBPAPZPYPO-CZXHOFHRSA-N 2 0 249.358 0.054 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NCCC1CC[NH2+]CC1 ZINC000653272628 410540620 /nfs/dbraw/zinc/54/06/20/410540620.db2.gz WSPZTIOYWBZJIO-LLVKDONJSA-N 2 0 241.379 0.880 20 0 BCADRP C[NH2+]CC(=O)N(C)CC[NH+]1CCCCC1 ZINC000653274771 410554357 /nfs/dbraw/zinc/55/43/57/410554357.db2.gz OCESRSPMFHAAFN-UHFFFAOYSA-N 2 0 213.325 0.150 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCCCC1 ZINC000653274670 410554540 /nfs/dbraw/zinc/55/45/40/410554540.db2.gz MIUSAIZNNPYDEQ-LLVKDONJSA-N 2 0 227.352 0.668 20 0 BCADRP CN(CC[NH+]1CCCCC1)C(=O)C(C)(C)C[NH3+] ZINC000653275084 410557870 /nfs/dbraw/zinc/55/78/70/410557870.db2.gz WANFAAWCAWUHKO-UHFFFAOYSA-N 2 0 241.379 0.916 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000236661771 166632625 /nfs/dbraw/zinc/63/26/25/166632625.db2.gz BDZSRUFFYQERJY-VIFPVBQESA-N 2 0 213.325 0.243 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655477661 410710256 /nfs/dbraw/zinc/71/02/56/410710256.db2.gz ARNUXVCSZOIERM-NOHGZBONSA-N 2 0 237.347 0.324 20 0 BCADRP COC[C@@H](CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)OC ZINC000665234371 410723399 /nfs/dbraw/zinc/72/33/99/410723399.db2.gz BUYUPWBAHJVMMI-TUAOUCFPSA-N 2 0 230.352 0.768 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1NCC1([NH3+])CCCC1 ZINC000665248837 410731554 /nfs/dbraw/zinc/73/15/54/410731554.db2.gz DGASLIZPQNULPE-GHMZBOCLSA-N 2 0 211.353 0.798 20 0 BCADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000340599812 169770104 /nfs/dbraw/zinc/77/01/04/169770104.db2.gz HVXVRHAYGTUOBY-LLVKDONJSA-N 2 0 241.379 0.914 20 0 BCADRP CCC[N@@H+]1CC[C@H](N[C@H]2CCC[C@H]2[NH3+])C1 ZINC000665273900 410742464 /nfs/dbraw/zinc/74/24/64/410742464.db2.gz GKBULXNFVUWTKJ-TUAOUCFPSA-N 2 0 211.353 0.940 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655484412 410752919 /nfs/dbraw/zinc/75/29/19/410752919.db2.gz WGQYRCKLFOGEHE-MRBYEJRBSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)[C@H]([NH3+])CCN[C@H]1C[N@H+](C)C[C@@H]1C ZINC000665280681 410757256 /nfs/dbraw/zinc/75/72/56/410757256.db2.gz IZNGVUVYHKCFID-TUAOUCFPSA-N 2 0 213.369 0.900 20 0 BCADRP CC[C@@H]1CN(C(=O)C2([NH3+])CC2)CC[C@@H]1[NH3+] ZINC000393734748 410757729 /nfs/dbraw/zinc/75/77/29/410757729.db2.gz ASOHOKQKTNGETF-BDAKNGLRSA-N 2 0 211.309 0.064 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000393796928 410760686 /nfs/dbraw/zinc/76/06/86/410760686.db2.gz KFILNVWEQBJBLJ-ZJUUUORDSA-N 2 0 213.325 0.454 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000393789584 410761510 /nfs/dbraw/zinc/76/15/10/410761510.db2.gz CSDAEMHUYPUGMA-LBPRGKRZSA-N 2 0 222.336 0.884 20 0 BCADRP c1ncn(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000394303695 410785777 /nfs/dbraw/zinc/78/57/77/410785777.db2.gz SYHZHBFXJBEZMA-OLZOCXBDSA-N 2 0 249.362 0.885 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])C1 ZINC000309307559 410789056 /nfs/dbraw/zinc/78/90/56/410789056.db2.gz WCHGBKCVGCABEV-RKDXNWHRSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000653298690 410797021 /nfs/dbraw/zinc/79/70/21/410797021.db2.gz BRUYAPLSEDMORG-CMPLNLGQSA-N 2 0 235.331 0.697 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489437 410798451 /nfs/dbraw/zinc/79/84/51/410798451.db2.gz RWKRAZMJOKUJJL-XWLWVQCSSA-N 2 0 227.352 0.426 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000655488487 410798698 /nfs/dbraw/zinc/79/86/98/410798698.db2.gz BERWIJZTELXIGI-OUAUKWLOSA-N 2 0 241.379 0.816 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000655488587 410798753 /nfs/dbraw/zinc/79/87/53/410798753.db2.gz CUTPHRDWSNDCIY-KLPPZKSPSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000653298691 410798911 /nfs/dbraw/zinc/79/89/11/410798911.db2.gz BRUYAPLSEDMORG-JQWIXIFHSA-N 2 0 235.331 0.697 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC000653298693 410798928 /nfs/dbraw/zinc/79/89/28/410798928.db2.gz BRUYAPLSEDMORG-ZYHUDNBSSA-N 2 0 235.331 0.697 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000655488818 410799921 /nfs/dbraw/zinc/79/99/21/410799921.db2.gz GNKANOSTIRRKMR-AOOOYVTPSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]CCC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655488840 410800650 /nfs/dbraw/zinc/80/06/50/410800650.db2.gz GZWFJKICKYMRNK-AOOOYVTPSA-N 2 0 213.325 0.052 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655488844 410800974 /nfs/dbraw/zinc/80/09/74/410800974.db2.gz HCJMKBXTJSZRET-GARJFASQSA-N 2 0 227.352 0.298 20 0 BCADRP CC[NH+](CC)CCCNC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111263397 169773846 /nfs/dbraw/zinc/77/38/46/169773846.db2.gz GLGNKIJDXPPJPJ-NWDGAFQWSA-N 2 0 241.379 0.690 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396476175 410879398 /nfs/dbraw/zinc/87/93/98/410879398.db2.gz WQMSOILUEFCNLN-DCAQKATOSA-N 2 0 241.379 0.816 20 0 BCADRP CCC(C)(C)[NH+]1CCN(C(=O)C[NH2+]C)CC1 ZINC000655494910 410880047 /nfs/dbraw/zinc/88/00/47/410880047.db2.gz QZURNEUTPANMCC-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP C[C@@H](NC(=O)CC[NH3+])C1CC[NH+](C)CC1 ZINC000396457493 410884036 /nfs/dbraw/zinc/88/40/36/410884036.db2.gz NWODKSNUHSJSLW-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP CC(C)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020128355 167003004 /nfs/dbraw/zinc/00/30/04/167003004.db2.gz RJNJBNSVAZQOQA-UHFFFAOYSA-N 2 0 213.369 0.870 20 0 BCADRP CC(C)C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000052379223 167007173 /nfs/dbraw/zinc/00/71/73/167007173.db2.gz UHZDKPBWGIVFRS-LBPRGKRZSA-N 2 0 213.369 0.868 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364138976 169778990 /nfs/dbraw/zinc/77/89/90/169778990.db2.gz ABAFKZVDXXEJGE-AAEUAGOBSA-N 2 0 239.363 0.444 20 0 BCADRP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125401449 167053396 /nfs/dbraw/zinc/05/33/96/167053396.db2.gz AQOYOJAOCNYVEN-TUAOUCFPSA-N 2 0 239.363 0.570 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCC([NH+](C)C)CC1 ZINC000037477190 167095492 /nfs/dbraw/zinc/09/54/92/167095492.db2.gz AIQJYSLVBMJLPS-UHFFFAOYSA-N 2 0 227.352 0.537 20 0 BCADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)CC[NH2+]C)C1 ZINC000357235351 169786880 /nfs/dbraw/zinc/78/68/80/169786880.db2.gz BTNDDXJZLKFTRM-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP CC(C)[C@@H](C(=O)NCCC[NH3+])[NH+](C)C ZINC000236710946 167342295 /nfs/dbraw/zinc/34/22/95/167342295.db2.gz YUIKOUCFLKTVJI-VIFPVBQESA-N 2 0 201.314 0.038 20 0 BCADRP CC(C)[C@@H](C)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000361228303 167380426 /nfs/dbraw/zinc/38/04/26/167380426.db2.gz IPLJHHAJJCOXJX-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000044802713 167395065 /nfs/dbraw/zinc/39/50/65/167395065.db2.gz RVXNPXUKPQCTBY-WDEREUQCSA-N 2 0 227.352 0.285 20 0 BCADRP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000336667217 167395803 /nfs/dbraw/zinc/39/58/03/167395803.db2.gz MDYYLAJTZAZWGQ-VHSXEESVSA-N 2 0 213.325 0.086 20 0 BCADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000353180737 167512463 /nfs/dbraw/zinc/51/24/63/167512463.db2.gz DNPFUGURMAVYSR-GRYCIOLGSA-N 2 0 239.363 0.441 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000390513375 411064696 /nfs/dbraw/zinc/06/46/96/411064696.db2.gz CKBGOXLVTMAVND-VHSXEESVSA-N 2 0 213.325 0.372 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](C)[NH3+] ZINC000390514144 411065724 /nfs/dbraw/zinc/06/57/24/411065724.db2.gz CNSSPEFCZZOCRQ-UWVGGRQHSA-N 2 0 213.325 0.324 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661623332 411077828 /nfs/dbraw/zinc/07/78/28/411077828.db2.gz ZMKMYSIGPSKWHS-XQHKEYJVSA-N 2 0 244.379 0.248 20 0 BCADRP CC1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[NH2+]C1 ZINC000399190046 411023348 /nfs/dbraw/zinc/02/33/48/411023348.db2.gz YHHPDRHUHREULX-GHMZBOCLSA-N 2 0 237.347 0.339 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538981 411137540 /nfs/dbraw/zinc/13/75/40/411137540.db2.gz WRYCAMYTUFDAMG-AAEUAGOBSA-N 2 0 241.379 0.962 20 0 BCADRP CCC(CC)(C[NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000044763181 411139764 /nfs/dbraw/zinc/13/97/64/411139764.db2.gz MVKSXMILHJRHNR-NSHDSACASA-N 2 0 241.379 0.962 20 0 BCADRP COC(=O)[C@@H]1C[N@H+](CCC[NH3+])C[C@H]1C1CC1 ZINC000593320448 411139822 /nfs/dbraw/zinc/13/98/22/411139822.db2.gz JDRDGQRABHEVBG-WDEREUQCSA-N 2 0 226.320 0.466 20 0 BCADRP COCC[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400936002 411163857 /nfs/dbraw/zinc/16/38/57/411163857.db2.gz ASVFNWMMANXEBR-WUHRBBMRSA-N 2 0 242.363 0.362 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000309499606 411151269 /nfs/dbraw/zinc/15/12/69/411151269.db2.gz UOPOYBVVLAEMCX-ZJUUUORDSA-N 2 0 213.325 0.324 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)CCC[NH3+] ZINC000659549760 411153622 /nfs/dbraw/zinc/15/36/22/411153622.db2.gz OZGQKIRZHFSYHB-IUCAKERBSA-N 2 0 216.329 0.021 20 0 BCADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](COC)OC)C1 ZINC000659989628 411158175 /nfs/dbraw/zinc/15/81/75/411158175.db2.gz PWYUNFPPFUIAAB-QWHCGFSZSA-N 2 0 244.379 0.921 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)CCCC[NH3+] ZINC000309519823 411159999 /nfs/dbraw/zinc/15/99/99/411159999.db2.gz ZSJCVYDCTZBLON-UHFFFAOYSA-N 2 0 213.325 0.326 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2[C@@H]1CCNC1=O ZINC000655942201 411161172 /nfs/dbraw/zinc/16/11/72/411161172.db2.gz LVEZBXDOPQVFDY-SQLBVSGCSA-N 2 0 223.320 0.078 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655504374 411114539 /nfs/dbraw/zinc/11/45/39/411114539.db2.gz AZTWNCLMSFQGFU-ZCFIWIBFSA-N 2 0 241.257 0.510 20 0 BCADRP C[N@@H+](CC(=O)N1CCCC1)CC1CC[NH2+]CC1 ZINC000043497640 411119526 /nfs/dbraw/zinc/11/95/26/411119526.db2.gz UVLMLCHXMBCOFL-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP CCNC(=O)C[N@H+](C)CC1CC[NH2+]CC1 ZINC000043497656 411119617 /nfs/dbraw/zinc/11/96/17/411119617.db2.gz FLJNZIOGADAPPO-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000309399767 411162711 /nfs/dbraw/zinc/16/27/11/411162711.db2.gz HEJFREQJIHBRDP-OPRDCNLKSA-N 2 0 213.325 0.165 20 0 BCADRP Cn1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000400997636 411168272 /nfs/dbraw/zinc/16/82/72/411168272.db2.gz ACOSNYOKAYAEOG-YRGRVCCFSA-N 2 0 248.374 0.940 20 0 BCADRP C[NH2+]CCNC(=O)NCCC[N@H+](C)CC(C)C ZINC000652204570 411168420 /nfs/dbraw/zinc/16/84/20/411168420.db2.gz WPPOFYKXBCCYRC-UHFFFAOYSA-N 2 0 244.383 0.483 20 0 BCADRP [NH3+]CCC1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000652204790 411169433 /nfs/dbraw/zinc/16/94/33/411169433.db2.gz CFRNUCCHJWDFMR-NSHDSACASA-N 2 0 240.351 0.119 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)NC1C[NH2+]C1 ZINC000652208487 411170045 /nfs/dbraw/zinc/17/00/45/411170045.db2.gz GLWAFXHXPQIBFG-UHFFFAOYSA-N 2 0 248.330 0.177 20 0 BCADRP [NH3+]CCCCC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000309559562 411171213 /nfs/dbraw/zinc/17/12/13/411171213.db2.gz NZBOMGNKVOHDAX-SNVBAGLBSA-N 2 0 213.325 0.374 20 0 BCADRP [NH3+]CCCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652203295 411171274 /nfs/dbraw/zinc/17/12/74/411171274.db2.gz HTKSFJXNLKQXBU-JQWIXIFHSA-N 2 0 240.351 0.106 20 0 BCADRP CC[NH2+]CCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652200543 411171346 /nfs/dbraw/zinc/17/13/46/411171346.db2.gz APHMEWVJQRDWPG-UHFFFAOYSA-N 2 0 242.367 0.414 20 0 BCADRP [NH3+]C1(CNC(=O)C[C@H]2CCC[NH2+]2)CCC1 ZINC000309552552 411171584 /nfs/dbraw/zinc/17/15/84/411171584.db2.gz KYFGXHZCCOVGGF-SECBINFHSA-N 2 0 211.309 0.126 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401023615 411173144 /nfs/dbraw/zinc/17/31/44/411173144.db2.gz MEUSJPUMOLCNOA-UMSGYPCISA-N 2 0 242.363 0.362 20 0 BCADRP C[C@H](CCO)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401032888 411173590 /nfs/dbraw/zinc/17/35/90/411173590.db2.gz XOZFWXQUHXFFLX-YVECIDJPSA-N 2 0 226.364 0.983 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061645181 411174808 /nfs/dbraw/zinc/17/48/08/411174808.db2.gz UMFUALGFYCXYLX-UWVGGRQHSA-N 2 0 213.325 0.276 20 0 BCADRP CO[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401055991 411174927 /nfs/dbraw/zinc/17/49/27/411174927.db2.gz VRHPJVWSOSQCPG-WRWGMCAJSA-N 2 0 212.337 0.999 20 0 BCADRP CC[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000659564001 411176245 /nfs/dbraw/zinc/17/62/45/411176245.db2.gz ALNOITGUUVWRAN-VWYCJHECSA-N 2 0 240.351 0.117 20 0 BCADRP COC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401119272 411176330 /nfs/dbraw/zinc/17/63/30/411176330.db2.gz JFVDPBIYKOISHV-FIQHERPVSA-N 2 0 212.337 0.999 20 0 BCADRP COC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401119275 411176696 /nfs/dbraw/zinc/17/66/96/411176696.db2.gz JFVDPBIYKOISHV-IRCOFANPSA-N 2 0 212.337 0.999 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C1([NH3+])CCCC1 ZINC000054133585 411243553 /nfs/dbraw/zinc/24/35/53/411243553.db2.gz ODZJZJJLTWAQLW-UHFFFAOYSA-N 2 0 227.352 0.714 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000309601906 411183564 /nfs/dbraw/zinc/18/35/64/411183564.db2.gz WWBXYQXWIXTTCA-UWVGGRQHSA-N 2 0 213.325 0.100 20 0 BCADRP COCC[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070800429 411183610 /nfs/dbraw/zinc/18/36/10/411183610.db2.gz LLSKHBHBLGUGHD-LBPRGKRZSA-N 2 0 229.368 0.248 20 0 BCADRP COCCN(C)C[C@H](O)C[NH+]1CC(C2CC2)C1 ZINC000656152602 411187119 /nfs/dbraw/zinc/18/71/19/411187119.db2.gz ZLMCYLIHZJXMPN-ZDUSSCGKSA-N 2 0 242.363 0.267 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000309623132 411187870 /nfs/dbraw/zinc/18/78/70/411187870.db2.gz IEHGDTKJEIMOOH-VHSXEESVSA-N 2 0 213.325 0.100 20 0 BCADRP COCC1(C[NH2+]C[C@H](O)CN(C)C2CC2)CC1 ZINC000656155154 411189489 /nfs/dbraw/zinc/18/94/89/411189489.db2.gz KETFSQWAKDOSJT-LBPRGKRZSA-N 2 0 242.363 0.458 20 0 BCADRP CN(C(=O)C1([NH3+])CC2(CCC2)C1)[C@H]1CC[NH2+]C1 ZINC000659296739 411244413 /nfs/dbraw/zinc/24/44/13/411244413.db2.gz OSDWHEZLVCZPSV-JTQLQIEISA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+][C@H]1CCC[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000656193015 411198117 /nfs/dbraw/zinc/19/81/17/411198117.db2.gz HVIDDIDJEZTTJR-NAKRPEOUSA-N 2 0 215.316 0.546 20 0 BCADRP CC(C)(C)[NH2+]CCN[C@H](C[NH3+])C(F)(F)F ZINC000656194144 411199365 /nfs/dbraw/zinc/19/93/65/411199365.db2.gz HUZRVVJFHFYAJI-SSDOTTSWSA-N 2 0 227.274 0.854 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656193872 411199604 /nfs/dbraw/zinc/19/96/04/411199604.db2.gz WMHVJIPJCXHERE-RWMBFGLXSA-N 2 0 241.379 0.111 20 0 BCADRP C[C@@H]1C[C@H](CN[C@@H](C[NH3+])C(F)(F)F)CC[NH2+]1 ZINC000656193957 411200006 /nfs/dbraw/zinc/20/00/06/411200006.db2.gz AAKQNEAJUSSYNB-HLTSFMKQSA-N 2 0 239.285 0.854 20 0 BCADRP CC(C)C[C@H]([NH3+])CN[C@H](C[NH3+])C(F)(F)F ZINC000656194871 411200945 /nfs/dbraw/zinc/20/09/45/411200945.db2.gz PWKLJTGZUPKIIX-JGVFFNPUSA-N 2 0 227.274 0.839 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1Cc1ccnc(N)c1 ZINC000420292758 411201081 /nfs/dbraw/zinc/20/10/81/411201081.db2.gz PXXJYLXPDMWYDI-NSHDSACASA-N 2 0 220.320 0.848 20 0 BCADRP Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000656197486 411203471 /nfs/dbraw/zinc/20/34/71/411203471.db2.gz MJIPZXPYAOXRAZ-GRYCIOLGSA-N 2 0 249.362 0.761 20 0 BCADRP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656200031 411204241 /nfs/dbraw/zinc/20/42/41/411204241.db2.gz DUEFXVLWASTMMU-AXTSPUMRSA-N 2 0 211.309 0.110 20 0 BCADRP COCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CC1 ZINC000656199715 411204393 /nfs/dbraw/zinc/20/43/93/411204393.db2.gz BIYHVEQQMHKSGQ-SDDRHHMPSA-N 2 0 242.363 0.755 20 0 BCADRP Cn1cnc(CCC[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000656200448 411205293 /nfs/dbraw/zinc/20/52/93/411205293.db2.gz QDCQNKOPAUELLE-QWRGUYRKSA-N 2 0 237.351 0.607 20 0 BCADRP COCC[NH2+]C1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000652344769 411208105 /nfs/dbraw/zinc/20/81/05/411208105.db2.gz SEUOLKZPRXFOOJ-LBPRGKRZSA-N 2 0 241.379 0.296 20 0 BCADRP C[C@H]([NH3+])CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349710 411210745 /nfs/dbraw/zinc/21/07/45/411210745.db2.gz ZULPCGXIILCUDK-RVMXOQNASA-N 2 0 241.379 0.552 20 0 BCADRP C[C@H]([NH3+])CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349711 411211027 /nfs/dbraw/zinc/21/10/27/411211027.db2.gz ZULPCGXIILCUDK-WUHRBBMRSA-N 2 0 241.379 0.552 20 0 BCADRP c1nncn1CC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000652353119 411211710 /nfs/dbraw/zinc/21/17/10/411211710.db2.gz DFJMTRFDNIUFBW-ZDUSSCGKSA-N 2 0 249.362 0.600 20 0 BCADRP C[C@H]([NH3+])CN1CCC(Cn2cnnc2)CC1 ZINC000652353333 411212533 /nfs/dbraw/zinc/21/25/33/411212533.db2.gz AEMUGKUAVFLZKB-JTQLQIEISA-N 2 0 223.324 0.337 20 0 BCADRP CCO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1C[NH3+] ZINC000652356818 411215181 /nfs/dbraw/zinc/21/51/81/411215181.db2.gz JLAWWGGBPNMEON-CHWSQXEVSA-N 2 0 242.363 0.709 20 0 BCADRP C[C@H]([NH2+][C@H]1CCNC1=O)C1CC[NH+](C)CC1 ZINC000658052326 411219763 /nfs/dbraw/zinc/21/97/63/411219763.db2.gz BYALAOCOTZKZGD-ONGXEEELSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000365199071 411247215 /nfs/dbraw/zinc/24/72/15/411247215.db2.gz FSZGDRMJKMJBNN-GARJFASQSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[N@H+](C)CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422884533 411234003 /nfs/dbraw/zinc/23/40/03/411234003.db2.gz XFYCVSAMCSYKIH-NEPJUHHUSA-N 2 0 213.369 0.914 20 0 BCADRP CC(C)([NH3+])C(=O)N1CC[NH2+]C2(CCCCC2)C1 ZINC000656363297 411234386 /nfs/dbraw/zinc/23/43/86/411234386.db2.gz OXEHFFYEKJFXOH-UHFFFAOYSA-N 2 0 239.363 0.858 20 0 BCADRP CN(C)C(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000310473178 411238628 /nfs/dbraw/zinc/23/86/28/411238628.db2.gz CALBULAGEYEKEL-AAEUAGOBSA-N 2 0 239.363 0.526 20 0 BCADRP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@H](C)C1 ZINC000310567396 411240652 /nfs/dbraw/zinc/24/06/52/411240652.db2.gz YCWPPEPBPNUIDK-STQMWFEESA-N 2 0 244.379 0.657 20 0 BCADRP COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000310567393 411241329 /nfs/dbraw/zinc/24/13/29/411241329.db2.gz YCWPPEPBPNUIDK-CHWSQXEVSA-N 2 0 244.379 0.657 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655964867 411165384 /nfs/dbraw/zinc/16/53/84/411165384.db2.gz HQAGPMINMBRWFJ-MXWKQRLJSA-N 2 0 242.367 0.363 20 0 BCADRP C1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CO1 ZINC000400904766 411165620 /nfs/dbraw/zinc/16/56/20/411165620.db2.gz ADJWNNOYCBIPDE-KXNHARMFSA-N 2 0 210.321 0.753 20 0 BCADRP Cn1cnc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000400967479 411166356 /nfs/dbraw/zinc/16/63/56/411166356.db2.gz ICYHVOUKQROSMD-OUAUKWLOSA-N 2 0 235.335 0.293 20 0 BCADRP COCCOCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400953554 411166418 /nfs/dbraw/zinc/16/64/18/411166418.db2.gz IJQRXKIHEUNENZ-YNEHKIRRSA-N 2 0 242.363 0.627 20 0 BCADRP COC[C@H](O)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400952199 411166444 /nfs/dbraw/zinc/16/64/44/411166444.db2.gz HXKVYVBPGFNQIY-UMSGYPCISA-N 2 0 242.363 0.362 20 0 BCADRP OCCOCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400986735 411167354 /nfs/dbraw/zinc/16/73/54/411167354.db2.gz ZICOLFQLABAIQD-FRRDWIJNSA-N 2 0 242.363 0.363 20 0 BCADRP CN(C)C(=O)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400986868 411167574 /nfs/dbraw/zinc/16/75/74/411167574.db2.gz VWPGOIDKIWGIFV-IJLUTSLNSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]([NH3+])Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000656457183 411266381 /nfs/dbraw/zinc/26/63/81/411266381.db2.gz QTGLLHZZLCZNIZ-UWVGGRQHSA-N 2 0 223.324 0.167 20 0 BCADRP C[C@H]([NH3+])Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000656457726 411267059 /nfs/dbraw/zinc/26/70/59/411267059.db2.gz ZPMCEPJIGWVWMM-IUCAKERBSA-N 2 0 209.297 0.092 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C[C@H]1CC[NH2+]C1 ZINC000309840789 411268623 /nfs/dbraw/zinc/26/86/23/411268623.db2.gz OXTZQASLPJURLR-NWDGAFQWSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@@H]([NH3+])Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000656462870 411270391 /nfs/dbraw/zinc/27/03/91/411270391.db2.gz IQQOTNPMQAOULS-MRVPVSSYSA-N 2 0 209.297 0.092 20 0 BCADRP C[C@@H]([NH3+])Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000656465076 411272967 /nfs/dbraw/zinc/27/29/67/411272967.db2.gz ZPMCEPJIGWVWMM-RKDXNWHRSA-N 2 0 209.297 0.092 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC000659640998 411275495 /nfs/dbraw/zinc/27/54/95/411275495.db2.gz PFUKMCRHEJXSTO-JTQLQIEISA-N 2 0 230.356 0.187 20 0 BCADRP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H](C)C[NH2+]C ZINC000659641228 411275693 /nfs/dbraw/zinc/27/56/93/411275693.db2.gz FHDXLIVBUBHCBJ-QWRGUYRKSA-N 2 0 242.367 0.378 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000394672046 411276864 /nfs/dbraw/zinc/27/68/64/411276864.db2.gz XWMIROLHVABTDA-GMTAPVOTSA-N 2 0 216.325 0.101 20 0 BCADRP c1c([C@@H]2CCC[NH2+]C2)nnn1[C@@H]1CCC[NH2+]C1 ZINC000656466298 411277959 /nfs/dbraw/zinc/27/79/59/411277959.db2.gz BTMVSIPHPKORPH-GHMZBOCLSA-N 2 0 235.335 0.670 20 0 BCADRP C[NH2+][C@@H](C)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656467000 411279483 /nfs/dbraw/zinc/27/94/83/411279483.db2.gz IXLCSEGBNRPWBZ-DTWKUNHWSA-N 2 0 209.297 0.483 20 0 BCADRP c1c(C[C@@H]2CCC[NH2+]C2)nnn1[C@@H]1CCC[NH2+]C1 ZINC000656467363 411279928 /nfs/dbraw/zinc/27/99/28/411279928.db2.gz OUPKNFYJPBRFGL-WCQYABFASA-N 2 0 249.362 0.745 20 0 BCADRP [NH3+]Cc1ccc(-c2cn([C@H]3CC[NH2+]C3)nn2)cc1 ZINC000656466822 411279961 /nfs/dbraw/zinc/27/99/61/411279961.db2.gz JBCSJGFGYOEHLX-LBPRGKRZSA-N 2 0 243.314 0.938 20 0 BCADRP [NH3+][C@@H](c1cn([C@@H]2CC[NH2+]C2)nn1)c1ccccc1 ZINC000656468343 411280598 /nfs/dbraw/zinc/28/05/98/411280598.db2.gz LLVKCWHTBZZIGB-DGCLKSJQSA-N 2 0 243.314 0.861 20 0 BCADRP [NH3+]CCCCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000656468935 411280792 /nfs/dbraw/zinc/28/07/92/411280792.db2.gz VVIKHDQZSPFVPW-JTQLQIEISA-N 2 0 209.297 0.094 20 0 BCADRP c1c(C[NH2+]C2CCCC2)nnn1[C@H]1CC[NH2+]C1 ZINC000656468738 411280840 /nfs/dbraw/zinc/28/08/40/411280840.db2.gz RLCBWVIGXOJWNR-LBPRGKRZSA-N 2 0 235.335 0.845 20 0 BCADRP C[C@H]1CC[C@H](C[N@H+](C)CCN2CC[NH2+]CC2)O1 ZINC000129383315 411280873 /nfs/dbraw/zinc/28/08/73/411280873.db2.gz YUQYMVZRTCEESC-QWHCGFSZSA-N 2 0 241.379 0.391 20 0 BCADRP CC[NH2+]Cc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656468773 411280953 /nfs/dbraw/zinc/28/09/53/411280953.db2.gz SEYDSHDNSJWVMT-JTQLQIEISA-N 2 0 209.297 0.312 20 0 BCADRP C[NH2+]CCCC(=O)NC1CCC([NH3+])CC1 ZINC000051694904 411281569 /nfs/dbraw/zinc/28/15/69/411281569.db2.gz OTLGLSXWKAXNOJ-UHFFFAOYSA-N 2 0 213.325 0.372 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000659302668 411294327 /nfs/dbraw/zinc/29/43/27/411294327.db2.gz IFWUKMREDASRSN-MNOVXSKESA-N 2 0 227.352 0.713 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000659643832 411295514 /nfs/dbraw/zinc/29/55/14/411295514.db2.gz UOZNRAXDGUCKOG-MXWKQRLJSA-N 2 0 240.351 0.130 20 0 BCADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCC1C[NH2+]C1 ZINC000659304368 411297047 /nfs/dbraw/zinc/29/70/47/411297047.db2.gz BOGUWZHLXFCYEY-ZDUSSCGKSA-N 2 0 245.326 0.557 20 0 BCADRP CC[C@H](CCO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000217810694 411307995 /nfs/dbraw/zinc/30/79/95/411307995.db2.gz AIEJCEPNOCGRGW-VXGBXAGGSA-N 2 0 230.352 0.194 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)[C@H](C)C1 ZINC000658259665 411318278 /nfs/dbraw/zinc/31/82/78/411318278.db2.gz NGGNMRYGWZBUBD-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000629558994 411324636 /nfs/dbraw/zinc/32/46/36/411324636.db2.gz BSKDXALCLPVHSQ-OLZOCXBDSA-N 2 0 241.379 0.127 20 0 BCADRP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000050372918 411257730 /nfs/dbraw/zinc/25/77/30/411257730.db2.gz ZYDKUMMKXHVKTC-YNEHKIRRSA-N 2 0 242.363 0.600 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000659326286 411354383 /nfs/dbraw/zinc/35/43/83/411354383.db2.gz QSPGXPYYUVEJEO-TUAOUCFPSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)[NH2+]CC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000659326291 411354389 /nfs/dbraw/zinc/35/43/89/411354389.db2.gz QSPGXPYYUVEJEO-UTUOFQBUSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@H](O)C2)CC1 ZINC000658352813 411355847 /nfs/dbraw/zinc/35/58/47/411355847.db2.gz YVBNIBOVLPDDAS-HAQNSBGRSA-N 2 0 212.337 0.972 20 0 BCADRP CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CCOCC[NH3+] ZINC000403791895 411359998 /nfs/dbraw/zinc/35/99/98/411359998.db2.gz IQCQJDOTOHGTAF-NEPJUHHUSA-N 2 0 230.352 0.851 20 0 BCADRP CN(Cc1ccc(C(N)=O)cc1)CC(C)(C)[NH3+] ZINC000656784027 411360816 /nfs/dbraw/zinc/36/08/16/411360816.db2.gz XUINSAWMQWSJTH-UHFFFAOYSA-N 2 0 235.331 0.955 20 0 BCADRP [NH3+]C1(CN[C@H]2CCC[NH2+]CC2)CCCC1 ZINC000656789655 411369030 /nfs/dbraw/zinc/36/90/30/411369030.db2.gz USBIQTXNCWXJLD-NSHDSACASA-N 2 0 211.353 0.990 20 0 BCADRP C[NH2+]CCC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063123877 411342624 /nfs/dbraw/zinc/34/26/24/411342624.db2.gz QLCAEKPZEYAFSJ-UHFFFAOYSA-N 2 0 227.352 0.396 20 0 BCADRP C[C@H]([NH3+])C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000040832994 168178812 /nfs/dbraw/zinc/17/88/12/168178812.db2.gz YCQYGVGBAUKAQM-NSHDSACASA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H](C[NH3+])C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000054344157 168179246 /nfs/dbraw/zinc/17/92/46/168179246.db2.gz SPAHBGYLSPDYID-LBPRGKRZSA-N 2 0 241.379 0.819 20 0 BCADRP C[C@H]1CCCN(C(=O)C[NH+](C)C)[C@H]1CC[NH3+] ZINC000404286501 411388720 /nfs/dbraw/zinc/38/87/20/411388720.db2.gz IGQDRFSVMHIZFA-QWRGUYRKSA-N 2 0 227.352 0.524 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000659294070 411389439 /nfs/dbraw/zinc/38/94/39/411389439.db2.gz KWEVLSMIUSJVQK-MNOVXSKESA-N 2 0 225.336 0.337 20 0 BCADRP CN1CCC[C@@H]([NH+]2CCC(C[NH3+])CC2)C1=O ZINC000662235822 411384401 /nfs/dbraw/zinc/38/44/01/411384401.db2.gz TWKHZPWSCJCFNP-LLVKDONJSA-N 2 0 225.336 0.278 20 0 BCADRP CCC(C)(C)NC(=O)[C@@H](C)N1CC[C@@H](C[NH3+])C1 ZINC000224227452 168293508 /nfs/dbraw/zinc/29/35/08/168293508.db2.gz WFILDPGXIYGOCM-MNOVXSKESA-N 2 0 241.379 0.960 20 0 BCADRP C[NH+](C)CCCNC(=O)CCC(C)(C)[NH3+] ZINC000069633482 411458120 /nfs/dbraw/zinc/45/81/20/411458120.db2.gz CGBIFTPOYTZZKG-UHFFFAOYSA-N 2 0 215.341 0.572 20 0 BCADRP CC(C)[NH2+]CC(=O)NC(C)(C)CCC[NH3+] ZINC000659314599 411393112 /nfs/dbraw/zinc/39/31/12/411393112.db2.gz YZBUOAAUVHLVKL-UHFFFAOYSA-N 2 0 215.341 0.618 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000580763864 411395624 /nfs/dbraw/zinc/39/56/24/411395624.db2.gz WIXQOWIPYREPML-WISYIIOYSA-N 2 0 239.363 0.489 20 0 BCADRP CCNC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404424774 411396119 /nfs/dbraw/zinc/39/61/19/411396119.db2.gz KYUFWEWKVBTPIW-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC(C)([NH3+])CC1 ZINC000309449465 411396785 /nfs/dbraw/zinc/39/67/85/411396785.db2.gz MDYZMKIODSRZSM-DTWKUNHWSA-N 2 0 213.325 0.310 20 0 BCADRP O=C(NCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]CC1 ZINC000653044691 411401538 /nfs/dbraw/zinc/40/15/38/411401538.db2.gz XHAIGRSOIZHYKK-GFCCVEGCSA-N 2 0 239.363 0.492 20 0 BCADRP O=C(NC1CC[NH2+]CC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653043073 411401616 /nfs/dbraw/zinc/40/16/16/411401616.db2.gz YULDDUIJJNMRSV-NWDGAFQWSA-N 2 0 237.347 0.385 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC000653044362 411401633 /nfs/dbraw/zinc/40/16/33/411401633.db2.gz ABNSMTUPAHNIEM-GHMZBOCLSA-N 2 0 225.336 0.244 20 0 BCADRP O=C([C@@H]1CCC[NH2+]CC1)N1CCC[NH2+]CC1 ZINC000653043976 411401815 /nfs/dbraw/zinc/40/18/15/411401815.db2.gz MCSWSBZTQNZEIU-LLVKDONJSA-N 2 0 225.336 0.198 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653044490 411401936 /nfs/dbraw/zinc/40/19/36/411401936.db2.gz IPJIKEOQSBDWJC-UTUOFQBUSA-N 2 0 237.347 0.385 20 0 BCADRP [NH3+]CCc1ccccc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000653047117 411402960 /nfs/dbraw/zinc/40/29/60/411402960.db2.gz GHKSYDZSDMEJER-LLVKDONJSA-N 2 0 247.342 0.609 20 0 BCADRP C[NH2+]CCCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653044842 411402963 /nfs/dbraw/zinc/40/29/63/411402963.db2.gz FHVDCSZERWMWCO-GHMZBOCLSA-N 2 0 225.336 0.243 20 0 BCADRP CN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CC[NH2+]CC1 ZINC000653045500 411403079 /nfs/dbraw/zinc/40/30/79/411403079.db2.gz SZWWSDJDZGBOGH-CMPLNLGQSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)C ZINC000654480196 411403485 /nfs/dbraw/zinc/40/34/85/411403485.db2.gz RTAJQCKFFCHFBT-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)c1ccc(C[NH3+])o1 ZINC000309458724 411403725 /nfs/dbraw/zinc/40/37/25/411403725.db2.gz OEUYEFAAXGRXEZ-ZETCQYMHSA-N 2 0 211.265 0.063 20 0 BCADRP [NH3+]CCc1ccccc1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000653048212 411404328 /nfs/dbraw/zinc/40/43/28/411404328.db2.gz PZLMXLYARJEMED-GFCCVEGCSA-N 2 0 247.342 0.670 20 0 BCADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653048169 411404416 /nfs/dbraw/zinc/40/44/16/411404416.db2.gz NHISGWSUHVEOLU-QJPTWQEYSA-N 2 0 237.347 0.385 20 0 BCADRP [NH3+]CC1(NC(=O)[C@H]2CCC[NH2+]CC2)CCCC1 ZINC000653050176 411405253 /nfs/dbraw/zinc/40/52/53/411405253.db2.gz HBZXSSDDEXGOFM-NSHDSACASA-N 2 0 239.363 0.764 20 0 BCADRP C[C@@H]([NH3+])C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659371591 411405420 /nfs/dbraw/zinc/40/54/20/411405420.db2.gz XFSFKEYVSHSFPC-BXKDBHETSA-N 2 0 249.314 0.633 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000653053558 411406309 /nfs/dbraw/zinc/40/63/09/411406309.db2.gz RMKHHNQADMGDCU-GHMZBOCLSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)[C@H](C[NH3+])C1 ZINC000659378572 411406887 /nfs/dbraw/zinc/40/68/87/411406887.db2.gz DMQCSVBWJDKGMK-OUAUKWLOSA-N 2 0 239.363 0.570 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653054668 411407479 /nfs/dbraw/zinc/40/74/79/411407479.db2.gz ILSSXJFKMSHWKS-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[C@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H](C)[NH3+] ZINC000659388572 411410554 /nfs/dbraw/zinc/41/05/54/411410554.db2.gz KJACGGOAGYZTGP-ZDCRXTMVSA-N 2 0 245.342 0.504 20 0 BCADRP CCCNC(=O)CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000653501771 411414250 /nfs/dbraw/zinc/41/42/50/411414250.db2.gz ICYYJDRBVSQCAL-TXEJJXNPSA-N 2 0 239.363 0.444 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000659439995 411414720 /nfs/dbraw/zinc/41/47/20/411414720.db2.gz DMLSEILHBPTEND-JTQLQIEISA-N 2 0 242.367 0.459 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000659450663 411415779 /nfs/dbraw/zinc/41/57/79/411415779.db2.gz DJXMSHPRQFLMLI-VHSXEESVSA-N 2 0 242.367 0.376 20 0 BCADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](C)C[NH2+]C ZINC000659449089 411416398 /nfs/dbraw/zinc/41/63/98/411416398.db2.gz QFMJAFIUNRMPPH-GHMZBOCLSA-N 2 0 244.383 0.624 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000659455330 411416424 /nfs/dbraw/zinc/41/64/24/411416424.db2.gz WOXNPRLCZHFYMO-UHFFFAOYSA-N 2 0 242.367 0.459 20 0 BCADRP C[C@@H](C[NH+](C)C)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659492629 411420710 /nfs/dbraw/zinc/42/07/10/411420710.db2.gz IQLXNQVQNKBCSG-BMQDGWLCSA-N 2 0 240.351 0.069 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000659492278 411420999 /nfs/dbraw/zinc/42/09/99/411420999.db2.gz BHYOPMOEUBSFAL-WDEREUQCSA-N 2 0 244.383 0.609 20 0 BCADRP CCO[C@@H]1C[N@H+](CCCOC)C[C@H]1C[NH3+] ZINC000405396969 411427247 /nfs/dbraw/zinc/42/72/47/411427247.db2.gz ULHKPIJGBXQFMJ-GHMZBOCLSA-N 2 0 216.325 0.319 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659540798 411431902 /nfs/dbraw/zinc/43/19/02/411431902.db2.gz XAZYCLOATAIOGT-ZJUUUORDSA-N 2 0 242.367 0.506 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](C)[NH3+])C1 ZINC000659541085 411432192 /nfs/dbraw/zinc/43/21/92/411432192.db2.gz ZOJLCXDMIQTUSB-NXEZZACHSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H]1CCN(C(=O)NC/C=C\C[NH3+])[C@H](C[NH3+])C1 ZINC000659543933 411432769 /nfs/dbraw/zinc/43/27/69/411432769.db2.gz NITKHEGUSXDTAI-UZAOFVRNSA-N 2 0 240.351 0.270 20 0 BCADRP CCO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1C[NH3+] ZINC000405516777 411432971 /nfs/dbraw/zinc/43/29/71/411432971.db2.gz HOJRMLRUWPSDCR-CHWSQXEVSA-N 2 0 242.363 0.709 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000659544573 411433176 /nfs/dbraw/zinc/43/31/76/411433176.db2.gz CUFNICRHQWDAJC-UWVGGRQHSA-N 2 0 230.356 0.411 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000405531036 411434081 /nfs/dbraw/zinc/43/40/81/411434081.db2.gz MTBYQMXTIJUYSW-SDDRHHMPSA-N 2 0 241.379 0.960 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)[C@H](C)[NH3+])C1 ZINC000659551549 411434609 /nfs/dbraw/zinc/43/46/09/411434609.db2.gz VFRPCCOGCWUXQE-AXFHLTTASA-N 2 0 242.367 0.506 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000659556618 411435317 /nfs/dbraw/zinc/43/53/17/411435317.db2.gz ZZAFNZVAYNRKCX-AEJSXWLSSA-N 2 0 228.340 0.021 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000659556619 411435546 /nfs/dbraw/zinc/43/55/46/411435546.db2.gz ZZAFNZVAYNRKCX-GUBZILKMSA-N 2 0 228.340 0.021 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000659556532 411435587 /nfs/dbraw/zinc/43/55/87/411435587.db2.gz YSCWCSBSPLVOND-ZJUUUORDSA-N 2 0 242.367 0.493 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)NCC1([NH3+])CCCC1 ZINC000659575279 411439683 /nfs/dbraw/zinc/43/96/83/411439683.db2.gz LBKCUIWANFQBQK-VIFPVBQESA-N 2 0 228.340 0.165 20 0 BCADRP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(C2CC2)CC1 ZINC000653614205 411440393 /nfs/dbraw/zinc/44/03/93/411440393.db2.gz SJHATKBRTRIGRU-NSHDSACASA-N 2 0 212.337 0.831 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000659611147 411441203 /nfs/dbraw/zinc/44/12/03/411441203.db2.gz PTOWBAKJDYTUGX-GHMZBOCLSA-N 2 0 240.351 0.213 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659620729 411443805 /nfs/dbraw/zinc/44/38/05/411443805.db2.gz OKVCZALZASJCBB-SNVBAGLBSA-N 2 0 244.383 0.739 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)N[C@H](C)C[NH2+]C ZINC000659639910 411445852 /nfs/dbraw/zinc/44/58/52/411445852.db2.gz LQCRJVSLQJAUPW-LLVKDONJSA-N 2 0 244.383 0.578 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000659643315 411446526 /nfs/dbraw/zinc/44/65/26/411446526.db2.gz QNXPXXJGDFLLPI-GARJFASQSA-N 2 0 242.367 0.328 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000659514951 411467623 /nfs/dbraw/zinc/46/76/23/411467623.db2.gz AFKMFCRTUXBROK-GHMZBOCLSA-N 2 0 242.367 0.411 20 0 BCADRP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCC[NH2+]CC1 ZINC000407252772 411475463 /nfs/dbraw/zinc/47/54/63/411475463.db2.gz HVHDLLNKLHAJBS-NEPJUHHUSA-N 2 0 237.347 0.339 20 0 BCADRP CO[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCOC1 ZINC000659850353 411476120 /nfs/dbraw/zinc/47/61/20/411476120.db2.gz OKENFGSBLFIZHO-ZDEQEGDKSA-N 2 0 240.347 0.189 20 0 BCADRP C[C@@H](CC(=O)N[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000127440891 411489232 /nfs/dbraw/zinc/48/92/32/411489232.db2.gz IJZXEJRNUUNWGQ-CMPLNLGQSA-N 2 0 239.363 0.490 20 0 BCADRP CC[C@H]1CN(C(=O)CC[NH2+]C)CC[C@@H]1[NH3+] ZINC000309466121 411496404 /nfs/dbraw/zinc/49/64/04/411496404.db2.gz PZVKMRHELOLINU-UWVGGRQHSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000659534197 411496428 /nfs/dbraw/zinc/49/64/28/411496428.db2.gz AVLUDOCDQKJYQM-UWVGGRQHSA-N 2 0 228.340 0.036 20 0 BCADRP CC[C@@H]1CN(C(=O)CC[NH2+]C)CC[C@H]1[NH3+] ZINC000309466119 411496917 /nfs/dbraw/zinc/49/69/17/411496917.db2.gz PZVKMRHELOLINU-NXEZZACHSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000127621641 411497331 /nfs/dbraw/zinc/49/73/31/411497331.db2.gz RVFKLANAFHPZLP-SDDRHHMPSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000127659355 411499976 /nfs/dbraw/zinc/49/99/76/411499976.db2.gz RMVUNPMNTCHAIG-QWRGUYRKSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@H]1CC[NH2+]C1 ZINC000127660052 411500146 /nfs/dbraw/zinc/50/01/46/411500146.db2.gz RMVUNPMNTCHAIG-GHMZBOCLSA-N 2 0 227.352 0.476 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000127679149 411501455 /nfs/dbraw/zinc/50/14/55/411501455.db2.gz NVPMFRBYWDTFNU-RYUDHWBXSA-N 2 0 241.379 0.818 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000127681082 411501877 /nfs/dbraw/zinc/50/18/77/411501877.db2.gz ZOUOLTJWDNACSA-WDEREUQCSA-N 2 0 227.352 0.620 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C[C@H]1CC[NH2+]C1 ZINC000127681318 411501883 /nfs/dbraw/zinc/50/18/83/411501883.db2.gz ZOUOLTJWDNACSA-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP O=C(N[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)C[NH2+]C2 ZINC000334196211 411506883 /nfs/dbraw/zinc/50/68/83/411506883.db2.gz YVHZTDHRRHUIAR-CYBMUJFWSA-N 2 0 245.326 0.772 20 0 BCADRP CN(CCC[NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000659542203 411509524 /nfs/dbraw/zinc/50/95/24/411509524.db2.gz YUBBMDQBOHHIDA-ZJUUUORDSA-N 2 0 228.340 0.247 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638927168 411513798 /nfs/dbraw/zinc/51/37/98/411513798.db2.gz SXOLOOQXOPNEIG-ZRUFSTJUSA-N 2 0 223.320 0.077 20 0 BCADRP O=C(CC[C@@H]1CC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925160 411513947 /nfs/dbraw/zinc/51/39/47/411513947.db2.gz JEGUAOQEBZTTNP-UTUOFQBUSA-N 2 0 237.347 0.339 20 0 BCADRP Cn1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)nn1 ZINC000655826972 411529714 /nfs/dbraw/zinc/52/97/14/411529714.db2.gz KJFNKJJTTQUBSR-JGZJWPJOSA-N 2 0 223.324 0.245 20 0 BCADRP Cn1ccnc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826994 411529726 /nfs/dbraw/zinc/52/97/26/411529726.db2.gz LKCHIULRSKQYIS-PHIMTYICSA-N 2 0 222.336 0.850 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)CC[C@H](C)[NH3+])C1 ZINC000250250080 170006407 /nfs/dbraw/zinc/00/64/07/170006407.db2.gz ILDMHQHVUANJFM-QWRGUYRKSA-N 2 0 227.352 0.572 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000310390156 170007357 /nfs/dbraw/zinc/00/73/57/170007357.db2.gz RKFWHDXNGZKLHX-IUCAKERBSA-N 2 0 249.305 0.427 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000040464016 170008013 /nfs/dbraw/zinc/00/80/13/170008013.db2.gz AWHNLYIRYMEVNU-QWRGUYRKSA-N 2 0 227.352 0.428 20 0 BCADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000356990376 170008179 /nfs/dbraw/zinc/00/81/79/170008179.db2.gz MEBKSJMKTCOPSP-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)COC)C1 ZINC000053195365 170008503 /nfs/dbraw/zinc/00/85/03/170008503.db2.gz UAJSUKJGWPIBRH-QWRGUYRKSA-N 2 0 200.326 0.953 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)CCC[NH3+])[C@@H](C)C1 ZINC000336741143 170009509 /nfs/dbraw/zinc/00/95/09/170009509.db2.gz MYNRJZUWDGZZLX-NWDGAFQWSA-N 2 0 213.369 0.997 20 0 BCADRP CC[N@@H+]1CC[C@@H](NCC[NH+](C)C)[C@H](C)C1 ZINC000308864808 170013093 /nfs/dbraw/zinc/01/30/93/170013093.db2.gz ABRMKFZHJSRNDV-VXGBXAGGSA-N 2 0 213.369 0.868 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000037484130 170014949 /nfs/dbraw/zinc/01/49/49/170014949.db2.gz KQCMRFTWAQBPCZ-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000249753972 170014978 /nfs/dbraw/zinc/01/49/78/170014978.db2.gz SMIVJPVJSJQAJZ-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[C@@H](C)[NH3+])C1 ZINC000248504233 170015417 /nfs/dbraw/zinc/01/54/17/170015417.db2.gz VIHKGSMHYNZIMX-GMTAPVOTSA-N 2 0 227.352 0.428 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000248504234 170015703 /nfs/dbraw/zinc/01/57/03/170015703.db2.gz VIHKGSMHYNZIMX-OUAUKWLOSA-N 2 0 227.352 0.428 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000250395431 170015826 /nfs/dbraw/zinc/01/58/26/170015826.db2.gz YOOMDHDSAXCHAO-VXGBXAGGSA-N 2 0 239.363 0.444 20 0 BCADRP CC[N@@H+]1CC[C@H](CN[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC000336751316 170016072 /nfs/dbraw/zinc/01/60/72/170016072.db2.gz CIPUVJCXQGAHQB-UPJWGTAASA-N 2 0 225.380 0.868 20 0 BCADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)NC)C1 ZINC000309987103 170016612 /nfs/dbraw/zinc/01/66/12/170016612.db2.gz YUDCNVBFXCZKNR-WDEREUQCSA-N 2 0 227.352 0.442 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCCO)C[C@@H]1C ZINC000336715762 170018592 /nfs/dbraw/zinc/01/85/92/170018592.db2.gz UVDWETZJQKKEFP-STQMWFEESA-N 2 0 244.379 0.800 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC(=O)NC)[C@@H](C)C1 ZINC000358023788 170020206 /nfs/dbraw/zinc/02/02/06/170020206.db2.gz KZARXMJHNCAIMR-RYUDHWBXSA-N 2 0 241.379 0.833 20 0 BCADRP CC[N@@H+]1C[C@@H](C)[C@H](NCCC[NH+](C)C)C1 ZINC000336768134 170031860 /nfs/dbraw/zinc/03/18/60/170031860.db2.gz TTXPKPMZUVGPAO-VXGBXAGGSA-N 2 0 213.369 0.868 20 0 BCADRP CCN1C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1=O ZINC000332600927 170040538 /nfs/dbraw/zinc/04/05/38/170040538.db2.gz AULWXNAVCLXBSW-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP CCNC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069626502 170059920 /nfs/dbraw/zinc/05/99/20/170059920.db2.gz JBMGCTVVPUFMRZ-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP CCNC(=O)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336124884 170061609 /nfs/dbraw/zinc/06/16/09/170061609.db2.gz FRMDGNGVLLAFLO-GFCCVEGCSA-N 2 0 225.336 0.150 20 0 BCADRP CCNC(=O)[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000036794709 170094704 /nfs/dbraw/zinc/09/47/04/170094704.db2.gz CCLQJJDPJVVZJE-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP CC[NH2+]CC1CC[NH+](CCOC)CC1 ZINC000053658892 170110501 /nfs/dbraw/zinc/11/05/01/170110501.db2.gz RJWHREIJWARIKX-UHFFFAOYSA-N 2 0 200.326 0.954 20 0 BCADRP CC[NH2+]CCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000236956756 170114729 /nfs/dbraw/zinc/11/47/29/170114729.db2.gz IWSDESDMVWHPDB-CYBMUJFWSA-N 2 0 247.342 0.427 20 0 BCADRP CC[NH2+]CCNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000236916913 170114870 /nfs/dbraw/zinc/11/48/70/170114870.db2.gz JQGPZNGKCDOZLX-RYUDHWBXSA-N 2 0 241.379 0.738 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000195232020 170114932 /nfs/dbraw/zinc/11/49/32/170114932.db2.gz SFCXTEWMYKTVNG-ZDUSSCGKSA-N 2 0 235.331 0.586 20 0 BCADRP CC[NH2+][C@@H](C)CNC(=O)C(CC)(CC)C[NH3+] ZINC000358922167 170139013 /nfs/dbraw/zinc/13/90/13/170139013.db2.gz BODGQRUBUPKTOS-JTQLQIEISA-N 2 0 229.368 0.866 20 0 BCADRP CC[NH2+][C@@H](C)CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000358946635 170139021 /nfs/dbraw/zinc/13/90/21/170139021.db2.gz RKGJGHRRMXNIKL-RYUDHWBXSA-N 2 0 241.379 0.880 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000366449365 170157407 /nfs/dbraw/zinc/15/74/07/170157407.db2.gz NVYHCAUIBSXKJT-FOGDFJRCSA-N 2 0 225.336 0.100 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000358914777 170157671 /nfs/dbraw/zinc/15/76/71/170157671.db2.gz MLHVHIQTTOFUOU-GHMZBOCLSA-N 2 0 229.368 0.687 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000366449324 170157699 /nfs/dbraw/zinc/15/76/99/170157699.db2.gz NMZLWYFERCMRRL-MNOVXSKESA-N 2 0 239.363 0.490 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000358917511 170158069 /nfs/dbraw/zinc/15/80/69/170158069.db2.gz VDGQEIYXBQCRSB-UTUOFQBUSA-N 2 0 241.379 0.973 20 0 BCADRP CCOC(=O)CC[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000042430837 170205727 /nfs/dbraw/zinc/20/57/27/170205727.db2.gz YHFBDEYSJFCRON-LLVKDONJSA-N 2 0 228.336 0.871 20 0 BCADRP CCC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000217871153 411567026 /nfs/dbraw/zinc/56/70/26/411567026.db2.gz AOIUMXITRPZOEI-NWDGAFQWSA-N 2 0 230.352 0.194 20 0 BCADRP CCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226328085 170266212 /nfs/dbraw/zinc/26/62/12/170266212.db2.gz YGJSKEHPOUFDMJ-QWRGUYRKSA-N 2 0 228.336 0.999 20 0 BCADRP CCOCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336680199 170374599 /nfs/dbraw/zinc/37/45/99/170374599.db2.gz IXHADOCFGBJOSQ-NWDGAFQWSA-N 2 0 212.337 0.954 20 0 BCADRP CCOCCC[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000011892056 170375367 /nfs/dbraw/zinc/37/53/67/170375367.db2.gz CWDFEWQFMASIDS-NSHDSACASA-N 2 0 200.326 0.954 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC[NH2+]C1CC1 ZINC000131806369 411627812 /nfs/dbraw/zinc/62/78/12/411627812.db2.gz BFABAVMGAVVGGV-UHFFFAOYSA-N 2 0 213.325 0.243 20 0 BCADRP CC[NH+]1CCN(CCNc2cc[nH+]c(C)c2)CC1 ZINC000663397535 411647245 /nfs/dbraw/zinc/64/72/45/411647245.db2.gz NHHSZRAFPBMLIZ-UHFFFAOYSA-N 2 0 248.374 0.861 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H](CO)CC1CC1 ZINC000657700209 411582613 /nfs/dbraw/zinc/58/26/13/411582613.db2.gz MSYNQMHEPQEQPU-KGYLQXTDSA-N 2 0 226.364 0.935 20 0 BCADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000131668889 411591340 /nfs/dbraw/zinc/59/13/40/411591340.db2.gz NIKCJPQFAQLWLJ-NEPJUHHUSA-N 2 0 233.315 0.035 20 0 BCADRP O[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000657809010 411601810 /nfs/dbraw/zinc/60/18/10/411601810.db2.gz RVMQPDCUVLLQQQ-WISYIIOYSA-N 2 0 210.321 0.726 20 0 BCADRP CCN(C)C(=O)CC[N@@H+]1CCn2cncc2C1 ZINC000660579696 411602850 /nfs/dbraw/zinc/60/28/50/411602850.db2.gz CRZITGPONLZARU-UHFFFAOYSA-N 2 0 236.319 0.567 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000657814975 411603998 /nfs/dbraw/zinc/60/39/98/411603998.db2.gz FQVOHXVMOXJSPR-LLVKDONJSA-N 2 0 239.367 0.844 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657840713 411609724 /nfs/dbraw/zinc/60/97/24/411609724.db2.gz VLRAAQKQJHREQH-AGIUHOORSA-N 2 0 249.362 0.883 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657840715 411609891 /nfs/dbraw/zinc/60/98/91/411609891.db2.gz VLRAAQKQJHREQH-JHJVBQTASA-N 2 0 249.362 0.883 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+][C@H]1CCCN(C)C1 ZINC000657843766 411610233 /nfs/dbraw/zinc/61/02/33/411610233.db2.gz HHPAJSLUUYNDNM-MNOVXSKESA-N 2 0 223.324 0.350 20 0 BCADRP C[C@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662962 411615540 /nfs/dbraw/zinc/61/55/40/411615540.db2.gz MEXVEPFCNWDAFD-NWDGAFQWSA-N 2 0 212.337 0.785 20 0 BCADRP NC(=O)c1cnccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000663424892 411655567 /nfs/dbraw/zinc/65/55/67/411655567.db2.gz JASWNMDVWXUTHW-VIFPVBQESA-N 2 0 246.314 0.251 20 0 BCADRP C(CNC[C@@]12C[C@@H]1C[NH2+]C2)C[NH2+]C1CC1 ZINC000663496661 411669713 /nfs/dbraw/zinc/66/97/13/411669713.db2.gz HPBHCGXWEXSSSZ-ZYHUDNBSSA-N 2 0 209.337 0.328 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493683 411672881 /nfs/dbraw/zinc/67/28/81/411672881.db2.gz CXPJPRURCPFCQY-WOPDTQHZSA-N 2 0 209.337 0.280 20 0 BCADRP C[NH2+]CC1CC[NH+](C[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC000663494276 411673182 /nfs/dbraw/zinc/67/31/82/411673182.db2.gz HNTQEFLZMALKFI-OLZOCXBDSA-N 3 0 223.364 0.527 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663493965 411673328 /nfs/dbraw/zinc/67/33/28/411673328.db2.gz FTKHTCWGDFOQAV-LOWDOPEQSA-N 2 0 223.364 0.655 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000663494283 411673407 /nfs/dbraw/zinc/67/34/07/411673407.db2.gz NHQLUCASYGAOOO-SYQHCUMBSA-N 3 0 237.391 0.916 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663493450 411673620 /nfs/dbraw/zinc/67/36/20/411673620.db2.gz BSKCMOAHYJLPPT-QCNOEVLYSA-N 2 0 209.337 0.265 20 0 BCADRP C([N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663493115 411673774 /nfs/dbraw/zinc/67/37/74/411673774.db2.gz FPHIGKSZWJENJS-RQJABVFESA-N 3 0 235.375 0.527 20 0 BCADRP C[C@@H]1CN(C[C@@]23C[C@@H]2C[NH2+]C3)C[C@@H](C)[NH2+]1 ZINC000663494625 411674515 /nfs/dbraw/zinc/67/45/15/411674515.db2.gz JSDHTJHLXPFWGT-KKOKHZNYSA-N 2 0 209.337 0.278 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C[C@]12C[C@H]1C[NH2+]C2 ZINC000663494922 411675443 /nfs/dbraw/zinc/67/54/43/411675443.db2.gz LNRRRTIMMWKVKN-WISYIIOYSA-N 2 0 209.337 0.265 20 0 BCADRP C(N(C1CC1)C1CC[NH2+]CC1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494818 411675496 /nfs/dbraw/zinc/67/54/96/411675496.db2.gz KZHCIDUOMXZGIN-RISCZKNCSA-N 2 0 235.375 0.812 20 0 BCADRP C[NH2+]CCC1CC[NH+](C[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC000663496835 411676853 /nfs/dbraw/zinc/67/68/53/411676853.db2.gz ZOMKPBCJZSQXJE-KGLIPLIRSA-N 3 0 237.391 0.917 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663496126 411677110 /nfs/dbraw/zinc/67/71/10/411677110.db2.gz SHBDIASIYVIBKO-UPJWGTAASA-N 2 0 223.364 0.670 20 0 BCADRP CC1(C[NH2+]C[C@]23C[C@H]2C[NH2+]C3)CC[NH2+]CC1 ZINC000663495785 411677397 /nfs/dbraw/zinc/67/73/97/411677397.db2.gz BBNUXXUSNKJTER-WCQYABFASA-N 3 0 223.364 0.575 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C[C@]12C[C@H]1C[NH2+]C2 ZINC000663497276 411678988 /nfs/dbraw/zinc/67/89/88/411678988.db2.gz MMFRYAGQUFCTHH-WRWGMCAJSA-N 2 0 209.337 0.408 20 0 BCADRP CC1(C)CN(C[C@@]23C[C@@H]2C[NH2+]C3)CC[NH2+]1 ZINC000663497917 411679341 /nfs/dbraw/zinc/67/93/41/411679341.db2.gz PAKDPFVFZHHGEG-PWSUYJOCSA-N 2 0 209.337 0.280 20 0 BCADRP C(N[C@@H]1CCC[NH2+]CC1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663498775 411681206 /nfs/dbraw/zinc/68/12/06/411681206.db2.gz UBJDWSQOHDFXQA-UTUOFQBUSA-N 2 0 209.337 0.328 20 0 BCADRP C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663500224 411682937 /nfs/dbraw/zinc/68/29/37/411682937.db2.gz YZACKIRKRRFBEF-YNEHKIRRSA-N 2 0 235.375 0.860 20 0 BCADRP C[C@@H]1C[C@H](C[NH2+]CC23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000663501572 411685422 /nfs/dbraw/zinc/68/54/22/411685422.db2.gz XSAQCDDAFYGPDW-OKZRHMCRSA-N 3 0 223.364 0.716 20 0 BCADRP CC[N@@H+]1CC[C@H](N[C@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000663512048 411692328 /nfs/dbraw/zinc/69/23/28/411692328.db2.gz DWCPPEGRLUPPKY-TUAOUCFPSA-N 2 0 213.369 0.914 20 0 BCADRP CC(C)(C)[NH2+]CCN1CCOC2(C[NH2+]C2)C1 ZINC000663510653 411692994 /nfs/dbraw/zinc/69/29/94/411692994.db2.gz QRMXGGHUIDQGGM-UHFFFAOYSA-N 2 0 227.352 0.049 20 0 BCADRP C[C@@H]1C[C@H](C[N@@H+]2CCOC3(CNC3)C2)CC[NH2+]1 ZINC000663512206 411695833 /nfs/dbraw/zinc/69/58/33/411695833.db2.gz ZIXSLUQNCIPQTA-VXGBXAGGSA-N 2 0 239.363 0.049 20 0 BCADRP c1cc(NC[C@@H]2COCC[NH2+]2)nc(C2CC2)n1 ZINC000630533082 411701906 /nfs/dbraw/zinc/70/19/06/411701906.db2.gz QGNRHDPBGSSTRX-SNVBAGLBSA-N 2 0 234.303 0.754 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722981 411857776 /nfs/dbraw/zinc/85/77/76/411857776.db2.gz QDJGVKSPNTXBHR-YNEHKIRRSA-N 2 0 224.348 0.927 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccnc(N)c1 ZINC000641804355 411890518 /nfs/dbraw/zinc/89/05/18/411890518.db2.gz YVZJNNMJKGGCKI-UWVGGRQHSA-N 2 0 220.320 0.879 20 0 BCADRP C[C@@H]1CC[N@H+](Cc2ccc(N)nc2)C[C@@H]1C[NH3+] ZINC000647551710 411905875 /nfs/dbraw/zinc/90/58/75/411905875.db2.gz DYWWJDMDPPSSEX-PWSUYJOCSA-N 2 0 234.347 1.081 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(N)nc1 ZINC000647508958 411911339 /nfs/dbraw/zinc/91/13/39/411911339.db2.gz BVUMAJGZZXJTAX-MWLCHTKSSA-N 2 0 220.320 0.833 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(N)nc1 ZINC000647548062 411916985 /nfs/dbraw/zinc/91/69/85/411916985.db2.gz UATYYTKKHHFJNH-SECBINFHSA-N 2 0 208.309 0.881 20 0 BCADRP C[C@H]1C[N@H+](Cc2ccnc(N)c2)C[C@H]1C[NH3+] ZINC000631838991 411929310 /nfs/dbraw/zinc/92/93/10/411929310.db2.gz YAUNRGUTNJJPHI-GXSJLCMTSA-N 2 0 220.320 0.690 20 0 BCADRP CCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661767802 411877993 /nfs/dbraw/zinc/87/79/93/411877993.db2.gz RINXHIPZLDOBFS-IJLUTSLNSA-N 2 0 230.352 0.144 20 0 BCADRP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000661767804 411878524 /nfs/dbraw/zinc/87/85/24/411878524.db2.gz RINXHIPZLDOBFS-SDDRHHMPSA-N 2 0 230.352 0.144 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(N)nc2)C1 ZINC000647509899 411882714 /nfs/dbraw/zinc/88/27/14/411882714.db2.gz PFAKLEOMFZKNBQ-MWLCHTKSSA-N 2 0 220.320 0.833 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cnc(N)s2)C1 ZINC000381346549 411883278 /nfs/dbraw/zinc/88/32/78/411883278.db2.gz ZDTGUNNQWOUDDW-SFYZADRCSA-N 2 0 226.349 0.894 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc(N)s1 ZINC000564971328 411884317 /nfs/dbraw/zinc/88/43/17/411884317.db2.gz XIQUIHMSVIFXOS-RQJHMYQMSA-N 2 0 214.338 0.941 20 0 BCADRP Nc1ncc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000647546803 411964424 /nfs/dbraw/zinc/96/44/24/411964424.db2.gz CAOIDPUCYZQDFY-JGVFFNPUSA-N 2 0 226.349 1.085 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC000036871872 170861548 /nfs/dbraw/zinc/86/15/48/170861548.db2.gz KLGUGGSCDWLMQO-SNVBAGLBSA-N 2 0 213.325 0.276 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000295235815 170864456 /nfs/dbraw/zinc/86/44/56/170864456.db2.gz OKNKPSAPQFKYAN-DGCLKSJQSA-N 2 0 235.331 0.714 20 0 BCADRP CC[N@H+](CCNC(=O)C[NH2+]C(C)C)C1CC1 ZINC000219925075 411983449 /nfs/dbraw/zinc/98/34/49/411983449.db2.gz DZXPKJXUBLQYNR-UHFFFAOYSA-N 2 0 227.352 0.585 20 0 BCADRP Nc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000647546825 411957945 /nfs/dbraw/zinc/95/79/45/411957945.db2.gz CXSDAZBYTJZARQ-QWRGUYRKSA-N 2 0 220.320 1.023 20 0 BCADRP Nc1ncc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000647546804 411962605 /nfs/dbraw/zinc/96/26/05/411962605.db2.gz CAOIDPUCYZQDFY-SFYZADRCSA-N 2 0 226.349 1.085 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](COC)OC)C1 ZINC000662237354 412034734 /nfs/dbraw/zinc/03/47/34/412034734.db2.gz IRUBEDBJPYGXBO-RYUDHWBXSA-N 2 0 230.352 0.579 20 0 BCADRP C[N@@H+](CC(=O)N1CC[NH2+]CC1)CC1CC=CC1 ZINC000662238772 412035712 /nfs/dbraw/zinc/03/57/12/412035712.db2.gz VYQKWOBWGQTBET-UHFFFAOYSA-N 2 0 237.347 0.316 20 0 BCADRP C([C@H]1C[NH2+]CCO1)N(C1CC1)C1CC[NH2+]CC1 ZINC000662234777 412035726 /nfs/dbraw/zinc/03/57/26/412035726.db2.gz MUZRURZLUJAVSU-CYBMUJFWSA-N 2 0 239.363 0.191 20 0 BCADRP C[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H](C)[NH2+]1 ZINC000662242966 412037676 /nfs/dbraw/zinc/03/76/76/412037676.db2.gz FYSLNPKZPZQMHE-GRYCIOLGSA-N 2 0 239.363 0.190 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000662246819 412043271 /nfs/dbraw/zinc/04/32/71/412043271.db2.gz SGNLQJUUPGTLEL-DTWKUNHWSA-N 2 0 220.263 0.691 20 0 BCADRP C[NH2+]C1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662247081 412044538 /nfs/dbraw/zinc/04/45/38/412044538.db2.gz YQPAXXHAWLXYAX-GFCCVEGCSA-N 3 0 239.363 0.191 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C[C@@H](COC)OC ZINC000662247062 412044760 /nfs/dbraw/zinc/04/47/60/412044760.db2.gz XSPZWNJITUKYPM-QWRGUYRKSA-N 2 0 216.325 0.332 20 0 BCADRP CC[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662249708 412046579 /nfs/dbraw/zinc/04/65/79/412046579.db2.gz YHVVGQLVYFWPAE-VXGBXAGGSA-N 2 0 240.347 0.618 20 0 BCADRP CCCC[N@H+](CCO)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249933 412047204 /nfs/dbraw/zinc/04/72/04/412047204.db2.gz VNEOHXBERNPMSO-LBPRGKRZSA-N 2 0 242.363 0.602 20 0 BCADRP CC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251051 412048985 /nfs/dbraw/zinc/04/89/85/412048985.db2.gz WXBDFRPZQYBNES-LLVKDONJSA-N 2 0 210.321 0.992 20 0 BCADRP C[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254624 412049242 /nfs/dbraw/zinc/04/92/42/412049242.db2.gz QVVOCDWDHYXCID-GHMZBOCLSA-N 2 0 210.321 0.849 20 0 BCADRP C[C@@H](O)CC[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254352 412049268 /nfs/dbraw/zinc/04/92/68/412049268.db2.gz HOCGWMVMCKKYEP-GHMZBOCLSA-N 2 0 228.336 0.210 20 0 BCADRP C[N@H+](CC1CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251900 412049812 /nfs/dbraw/zinc/04/98/12/412049812.db2.gz GMYSHVYSBBGNHE-LLVKDONJSA-N 2 0 210.321 0.849 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCS1 ZINC000662257004 412050715 /nfs/dbraw/zinc/05/07/15/412050715.db2.gz LIWAQYUNHKWAJY-MNOVXSKESA-N 2 0 242.388 0.945 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CNCCO3)C[C@H]21 ZINC000662267519 412060177 /nfs/dbraw/zinc/06/01/77/412060177.db2.gz WFLOHYKUNCFMIR-YVECIDJPSA-N 2 0 239.363 0.034 20 0 BCADRP C[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255089 412051628 /nfs/dbraw/zinc/05/16/28/412051628.db2.gz OGBBCQBRIRIMII-WDEREUQCSA-N 2 0 210.321 0.992 20 0 BCADRP COC[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662259004 412054732 /nfs/dbraw/zinc/05/47/32/412054732.db2.gz NYEPJBJXRJYCOA-NWDGAFQWSA-N 2 0 240.347 0.618 20 0 BCADRP CC(C)[NH2+]C1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662262030 412054794 /nfs/dbraw/zinc/05/47/94/412054794.db2.gz CWBJHWVOLGGKDY-ZDUSSCGKSA-N 2 0 241.379 0.437 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000353461022 171146750 /nfs/dbraw/zinc/14/67/50/171146750.db2.gz PVJXGFDSBJSTRT-WYUUTHIRSA-N 2 0 239.363 0.570 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[C@@H]1CCC[NH2+]1 ZINC000353429832 171147249 /nfs/dbraw/zinc/14/72/49/171147249.db2.gz UVPGVDIBIMEALJ-SRVKXCTJSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000353194768 171147321 /nfs/dbraw/zinc/14/73/21/171147321.db2.gz UNPPUKZSJDUEDR-VWYCJHECSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000353452799 171148867 /nfs/dbraw/zinc/14/88/67/171148867.db2.gz QZWHRXUPYZBDFL-MXWKQRLJSA-N 2 0 227.352 0.441 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCC[NH+](C)C ZINC000353467054 171148894 /nfs/dbraw/zinc/14/88/94/171148894.db2.gz KOKZDDSFOOPORX-NEPJUHHUSA-N 2 0 241.379 0.833 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000353452796 171149752 /nfs/dbraw/zinc/14/97/52/171149752.db2.gz QZWHRXUPYZBDFL-AXFHLTTASA-N 2 0 227.352 0.441 20 0 BCADRP C[N@H+](CCCC1CCC1)C[C@H](O)C[NH3+] ZINC000662277778 412069214 /nfs/dbraw/zinc/06/92/14/412069214.db2.gz RWCUONHFQRXSHX-LLVKDONJSA-N 2 0 200.326 0.818 20 0 BCADRP C([C@H]1CNCCO1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000662279676 412071516 /nfs/dbraw/zinc/07/15/16/412071516.db2.gz AVFKSAYENPGKQE-GFCCVEGCSA-N 2 0 240.347 0.477 20 0 BCADRP CC[C@@]1(C(=O)N2CC[C@@H]([NH2+]C)C2)CC[NH2+]C1 ZINC000370848014 171195487 /nfs/dbraw/zinc/19/54/87/171195487.db2.gz WJZXYXKNWNNJJX-ZYHUDNBSSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@@]1(C(=O)N2CC[C@H](C[NH2+]C)C2)CC[NH2+]C1 ZINC000360465649 171195936 /nfs/dbraw/zinc/19/59/36/171195936.db2.gz GSRRZSBJNUXTGJ-DGCLKSJQSA-N 2 0 239.363 0.444 20 0 BCADRP CC[C@@]1(C(=O)NCC(C)(C)[NH+](C)C)CCC[NH2+]1 ZINC000128973633 171196209 /nfs/dbraw/zinc/19/62/09/171196209.db2.gz OPFUYHYJVBKJNB-ZDUSSCGKSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@@]1(C(=O)NC2CCC([NH3+])CC2)CCC[NH2+]1 ZINC000122057959 171196229 /nfs/dbraw/zinc/19/62/29/171196229.db2.gz CKPSKFISZWQEAP-XIVSLSHWSA-N 2 0 239.363 0.905 20 0 BCADRP CC[C@@]1(C(=O)NC[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000184074513 171196544 /nfs/dbraw/zinc/19/65/44/171196544.db2.gz LYEMGZHJOISDSJ-PWSUYJOCSA-N 2 0 225.336 0.387 20 0 BCADRP CC[C@@]1(C(=O)N[C@H](C[NH3+])C2CC2)CC[NH2+]C1 ZINC000368567512 171197352 /nfs/dbraw/zinc/19/73/52/171197352.db2.gz VOIXQWZEWCXZQJ-ZYHUDNBSSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]1CCC[N@H+](C[C@@H]2CNCCO2)[C@@H]1CC[NH3+] ZINC000662286627 412077502 /nfs/dbraw/zinc/07/75/02/412077502.db2.gz SMBWFADGKKPOLA-FRRDWIJNSA-N 2 0 241.379 0.424 20 0 BCADRP Cc1nocc1CN1CCCO[C@@H](C[NH3+])C1 ZINC000662281858 412072491 /nfs/dbraw/zinc/07/24/91/412072491.db2.gz QHQNMTJPOSRZKW-NSHDSACASA-N 2 0 225.292 0.533 20 0 BCADRP CC[C@H](C(=O)NC[C@@H](C)C[NH+](C)C)[NH+](C)C ZINC000341258018 171229753 /nfs/dbraw/zinc/22/97/53/171229753.db2.gz KTGAYGOQTYOTIG-GHMZBOCLSA-N 2 0 229.368 0.641 20 0 BCADRP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251249968 171242933 /nfs/dbraw/zinc/24/29/33/171242933.db2.gz VMHLYPMSNLJYHU-IVZWLZJFSA-N 2 0 213.325 0.310 20 0 BCADRP CC[C@H](C(N)=O)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200508 171242994 /nfs/dbraw/zinc/24/29/94/171242994.db2.gz OEVHKTMRYSQRHS-VXGBXAGGSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]CC1(O)CC[NH+](CC2CC=CC2)CC1 ZINC000662283392 412074638 /nfs/dbraw/zinc/07/46/38/412074638.db2.gz NLMBWMWNABZMRC-UHFFFAOYSA-N 2 0 210.321 0.738 20 0 BCADRP COC[C@H](C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)OC ZINC000662283077 412074912 /nfs/dbraw/zinc/07/49/12/412074912.db2.gz KJJLTYBDXCKJIM-NDBYEHHHSA-N 2 0 244.379 0.953 20 0 BCADRP [NH3+]CC1(O)CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000662283873 412076095 /nfs/dbraw/zinc/07/60/95/412076095.db2.gz RAPNGNQJBZZZDX-GFCCVEGCSA-N 2 0 242.363 0.731 20 0 BCADRP CC[C@H](C)C[NH2+]C[C@@H]1CN(C)CCN1C ZINC000082668987 171285049 /nfs/dbraw/zinc/28/50/49/171285049.db2.gz ZVLICUTZGAAFKL-NWDGAFQWSA-N 2 0 213.369 0.868 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CCCC[C@H]1CCO ZINC000662298691 412084986 /nfs/dbraw/zinc/08/49/86/412084986.db2.gz FHCRKTZYYLJUPY-NSHDSACASA-N 2 0 216.325 0.199 20 0 BCADRP CC[C@H](C)NC(=O)CN1CC[C@H](C[NH3+])C1 ZINC000050249033 171324752 /nfs/dbraw/zinc/32/47/52/171324752.db2.gz GVLGYSGMQHHFCM-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1CCC[N@H+](C[C@H]2CNCCO2)[C@H]1CC[NH3+] ZINC000662286832 412078322 /nfs/dbraw/zinc/07/83/22/412078322.db2.gz SMBWFADGKKPOLA-UPJWGTAASA-N 2 0 241.379 0.424 20 0 BCADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000019436576 171371158 /nfs/dbraw/zinc/37/11/58/171371158.db2.gz UFPGKKCEKGXULP-VHSXEESVSA-N 2 0 215.341 0.428 20 0 BCADRP CNC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294545 412082494 /nfs/dbraw/zinc/08/24/94/412082494.db2.gz QRPNPGIUJCMVIC-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000248590569 171394007 /nfs/dbraw/zinc/39/40/07/171394007.db2.gz HATPCRGEDSYUKX-HGCLJGPKSA-N 2 0 239.363 0.556 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC000041679577 171394622 /nfs/dbraw/zinc/39/46/22/171394622.db2.gz JXLLGZBFHVEUFR-QWRGUYRKSA-N 2 0 229.368 0.818 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091392901 171394664 /nfs/dbraw/zinc/39/46/64/171394664.db2.gz TWWFBWXKECPGTA-TUAOUCFPSA-N 2 0 241.379 0.912 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248590572 171394676 /nfs/dbraw/zinc/39/46/76/171394676.db2.gz HATPCRGEDSYUKX-HTFCKZLJSA-N 2 0 239.363 0.556 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236907574 171395142 /nfs/dbraw/zinc/39/51/42/171395142.db2.gz WLTYLKIQFYCTJX-AEJSXWLSSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089257 171395343 /nfs/dbraw/zinc/39/53/43/171395343.db2.gz FVDNLMRZZJWPRH-AEJSXWLSSA-N 2 0 215.341 0.426 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000040503490 171395349 /nfs/dbraw/zinc/39/53/49/171395349.db2.gz SRCSQMGRXBSMRJ-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186781012 171395846 /nfs/dbraw/zinc/39/58/46/171395846.db2.gz FERDSJRTCNHISX-MMWGEVLESA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000662388592 412139471 /nfs/dbraw/zinc/13/94/71/412139471.db2.gz ROKIGTWSPPFYOI-GFCCVEGCSA-N 2 0 241.379 0.975 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000662387403 412139565 /nfs/dbraw/zinc/13/95/65/412139565.db2.gz HGRSUSCLLRSNOJ-NXEZZACHSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@]12COC[C@]1(C)C[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000662302591 412088593 /nfs/dbraw/zinc/08/85/93/412088593.db2.gz NBKMHGSKTINPLF-UPJWGTAASA-N 2 0 224.348 0.954 20 0 BCADRP Cn1cncc1CN1CC2CC1(C[NH3+])C2 ZINC000662304327 412088629 /nfs/dbraw/zinc/08/86/29/412088629.db2.gz NPTFPOONFORZBN-UHFFFAOYSA-N 2 0 206.293 0.343 20 0 BCADRP C[C@]12COC[C@H]1C[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000662311482 412088697 /nfs/dbraw/zinc/08/86/97/412088697.db2.gz SSNQIYHEVOJCFI-TUAOUCFPSA-N 2 0 210.321 0.564 20 0 BCADRP Cn1cc(CCN2CC3CC2(C[NH3+])C3)cn1 ZINC000662304350 412089229 /nfs/dbraw/zinc/08/92/29/412089229.db2.gz OQRBZPSZMDQUGT-UHFFFAOYSA-N 2 0 220.320 0.386 20 0 BCADRP C[C@]12COC[C@@H]1C[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000662311484 412091964 /nfs/dbraw/zinc/09/19/64/412091964.db2.gz SSNQIYHEVOJCFI-WOPDTQHZSA-N 2 0 210.321 0.564 20 0 BCADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1COCCO1 ZINC000662307730 412092434 /nfs/dbraw/zinc/09/24/34/412092434.db2.gz YJXANWIVQABUJX-QWHCGFSZSA-N 2 0 242.363 0.723 20 0 BCADRP CN1CC[N@H+](CCC2CC[NH2+]CC2)CCC1=O ZINC000662312558 412094759 /nfs/dbraw/zinc/09/47/59/412094759.db2.gz IGVQEVZNLZGPAR-UHFFFAOYSA-N 2 0 239.363 0.540 20 0 BCADRP C(C[N@@H+]1CC[C@@H]2C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000662315949 412095341 /nfs/dbraw/zinc/09/53/41/412095341.db2.gz RAOURYCXLRVINU-VXGBXAGGSA-N 2 0 209.337 0.233 20 0 BCADRP C(C[N@@H+]1CC[C@H]2C[C@H]2C1)N1CC[NH2+]CC1 ZINC000662315948 412096977 /nfs/dbraw/zinc/09/69/77/412096977.db2.gz RAOURYCXLRVINU-RYUDHWBXSA-N 2 0 209.337 0.233 20 0 BCADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662314700 412097059 /nfs/dbraw/zinc/09/70/59/412097059.db2.gz AXTOXIAIBVVBOU-SDDRHHMPSA-N 2 0 210.321 0.564 20 0 BCADRP C(C[N@@H+]1CC[C@H]2COC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000662317287 412097632 /nfs/dbraw/zinc/09/76/32/412097632.db2.gz OGCPUSWFOQVCHP-AGIUHOORSA-N 2 0 224.348 0.954 20 0 BCADRP c1cnc2c(n1)CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000662318367 412097791 /nfs/dbraw/zinc/09/77/91/412097791.db2.gz ZGEOUZXCSRNNNE-NSHDSACASA-N 2 0 232.331 0.834 20 0 BCADRP C[NH+](C)CCC[C@H]1C[N@H+](CCCO)CCO1 ZINC000662318526 412098432 /nfs/dbraw/zinc/09/84/32/412098432.db2.gz AYLOEGDMQQKNGK-LBPRGKRZSA-N 2 0 230.352 0.411 20 0 BCADRP C(C[N@@H+]1CC[C@@H]2COC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000662317290 412099064 /nfs/dbraw/zinc/09/90/64/412099064.db2.gz OGCPUSWFOQVCHP-JHJVBQTASA-N 2 0 224.348 0.954 20 0 BCADRP C[NH+](C)CCCNC(=O)C1([NH+](C)C)CC1 ZINC000665111183 412099357 /nfs/dbraw/zinc/09/93/57/412099357.db2.gz OGAVNNXXGHGPOH-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP N[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CC[C@H]1F ZINC000662324455 412102348 /nfs/dbraw/zinc/10/23/48/412102348.db2.gz VWUWHUVOLXJXPY-VXGBXAGGSA-N 2 0 229.343 0.747 20 0 BCADRP CN(C[C@H]1CC[NH2+]C1)[C@@H](C[NH3+])C(F)(F)F ZINC000662328888 412104527 /nfs/dbraw/zinc/10/45/27/412104527.db2.gz WFHBKXSRJDQUKL-YUMQZZPRSA-N 2 0 225.258 0.417 20 0 BCADRP C[NH+](C)CCC[C@@H]1CN(CCC[NH3+])CCO1 ZINC000662327643 412105396 /nfs/dbraw/zinc/10/53/96/412105396.db2.gz SFJSAKLXQOFUAJ-GFCCVEGCSA-N 2 0 229.368 0.378 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000662348413 412119337 /nfs/dbraw/zinc/11/93/37/412119337.db2.gz VCVCOMSGYRZJJN-SNVBAGLBSA-N 2 0 229.368 0.688 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCCC[NH+]1CCCCC1 ZINC000662354096 412120911 /nfs/dbraw/zinc/12/09/11/412120911.db2.gz BUAJKLCFDWCXAJ-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000662356170 412121527 /nfs/dbraw/zinc/12/15/27/412121527.db2.gz IZFIOADICGLBLH-GFCCVEGCSA-N 2 0 241.379 0.973 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000662384777 412136646 /nfs/dbraw/zinc/13/66/46/412136646.db2.gz WQDPKMNOQQONLI-LLVKDONJSA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000662439341 412175243 /nfs/dbraw/zinc/17/52/43/412175243.db2.gz KPZWEYMWVWLPKU-WDEREUQCSA-N 2 0 229.368 0.831 20 0 BCADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000665236389 412176850 /nfs/dbraw/zinc/17/68/50/412176850.db2.gz LTIUUIYYBSGKCL-YFKTTZPYSA-N 2 0 228.336 0.507 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000662442110 412177067 /nfs/dbraw/zinc/17/70/67/412177067.db2.gz QJPLFGZMECNPAR-KOLCDFICSA-N 2 0 227.352 0.583 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCC[NH2+]C(C)(C)C ZINC000662467892 412184183 /nfs/dbraw/zinc/18/41/83/412184183.db2.gz LHEWYKJMCOZSJM-VIFPVBQESA-N 2 0 215.341 0.489 20 0 BCADRP CC(C)[NH2+]CC(=O)NCC[NH2+]C(C)(C)C ZINC000662468470 412184410 /nfs/dbraw/zinc/18/44/10/412184410.db2.gz VWSUSPBDQAQYLH-UHFFFAOYSA-N 2 0 215.341 0.489 20 0 BCADRP CO[C@@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665244153 412186418 /nfs/dbraw/zinc/18/64/18/412186418.db2.gz HKHBKFNIGOXOLO-QNWHQSFQSA-N 2 0 242.363 0.768 20 0 BCADRP CO[C@@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000665244057 412187450 /nfs/dbraw/zinc/18/74/50/412187450.db2.gz FSXANZXUBQVJPR-UKKRHICBSA-N 2 0 216.325 0.363 20 0 BCADRP CO[C@@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665244154 412187538 /nfs/dbraw/zinc/18/75/38/412187538.db2.gz HKHBKFNIGOXOLO-UMSGYPCISA-N 2 0 242.363 0.768 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000295214205 171484476 /nfs/dbraw/zinc/48/44/76/171484476.db2.gz LYRWLQCNZHIDLK-NWDGAFQWSA-N 2 0 235.331 0.930 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000662474230 412188325 /nfs/dbraw/zinc/18/83/25/412188325.db2.gz VUPQQLQWZMNQFA-GARJFASQSA-N 2 0 227.352 0.393 20 0 BCADRP CO[C@@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000665244759 412188874 /nfs/dbraw/zinc/18/88/74/412188874.db2.gz VRHPJVWSOSQCPG-NNYUYHANSA-N 2 0 212.337 0.999 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000662554443 412214823 /nfs/dbraw/zinc/21/48/23/412214823.db2.gz VBXDRDNQEAUSPF-ZYHUDNBSSA-N 2 0 227.352 0.490 20 0 BCADRP CO[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000665245331 412189609 /nfs/dbraw/zinc/18/96/09/412189609.db2.gz FSXANZXUBQVJPR-CHWFTXMASA-N 2 0 216.325 0.363 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000662483222 412190459 /nfs/dbraw/zinc/19/04/59/412190459.db2.gz SSHHFOJVJKUOAI-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@H](C[C@@H]1COCC[NH2+]1)NCC1([NH3+])CCCC1 ZINC000665246581 412190643 /nfs/dbraw/zinc/19/06/43/412190643.db2.gz JCJNYMYYTLKRTF-VXGBXAGGSA-N 2 0 241.379 0.615 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000662486914 412190948 /nfs/dbraw/zinc/19/09/48/412190948.db2.gz YEJUGKXCNLILLO-RYUDHWBXSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@@H](C[C@H]1COCC[NH2+]1)NCC1([NH3+])CCCC1 ZINC000665246580 412191751 /nfs/dbraw/zinc/19/17/51/412191751.db2.gz JCJNYMYYTLKRTF-RYUDHWBXSA-N 2 0 241.379 0.615 20 0 BCADRP C[C@@H](NCC1([NH3+])CCCC1)[C@H]1CCC[NH2+]1 ZINC000665247101 412192781 /nfs/dbraw/zinc/19/27/81/412192781.db2.gz VRBYCMFGQFKDEB-GHMZBOCLSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277655 412215059 /nfs/dbraw/zinc/21/50/59/412215059.db2.gz HNDOBKNJDGTHRN-ZYGVAYEYSA-N 2 0 209.337 0.278 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000662498165 412196811 /nfs/dbraw/zinc/19/68/11/412196811.db2.gz PBBITJRCSBZPCK-DLOVCJGASA-N 2 0 239.363 0.583 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[C@H]1[NH3+] ZINC000662556560 412215943 /nfs/dbraw/zinc/21/59/43/412215943.db2.gz ALDMDSFGNCBOCD-KKOKHZNYSA-N 2 0 239.363 0.700 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000662514207 412201300 /nfs/dbraw/zinc/20/13/00/412201300.db2.gz LJXDCVRYHFEJIE-UTLUCORTSA-N 2 0 213.325 0.193 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000662514204 412201599 /nfs/dbraw/zinc/20/15/99/412201599.db2.gz LJXDCVRYHFEJIE-AEJSXWLSSA-N 2 0 213.325 0.193 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000662520124 412202743 /nfs/dbraw/zinc/20/27/43/412202743.db2.gz DKOIPLQSMHPEPW-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000662525269 412204294 /nfs/dbraw/zinc/20/42/94/412204294.db2.gz GEHWKMWYUWVOIC-JQWIXIFHSA-N 2 0 239.363 0.585 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000662526892 412204926 /nfs/dbraw/zinc/20/49/26/412204926.db2.gz LYBLHPVABQFBSM-GHMZBOCLSA-N 2 0 227.352 0.441 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000662526201 412204974 /nfs/dbraw/zinc/20/49/74/412204974.db2.gz VBJXAFRSTIAQKK-QWRGUYRKSA-N 2 0 227.352 0.442 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000662527957 412205907 /nfs/dbraw/zinc/20/59/07/412205907.db2.gz HNKVLAHIFKZSFD-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@H](C)[NH+](C)C ZINC000662527809 412205984 /nfs/dbraw/zinc/20/59/84/412205984.db2.gz ZRSHLTKFBPWTCO-IUCAKERBSA-N 2 0 201.314 0.051 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NCCC[NH+]1CCCC1 ZINC000662525554 412206027 /nfs/dbraw/zinc/20/60/27/412206027.db2.gz VDWHQCHLPRIGPN-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000662539006 412208398 /nfs/dbraw/zinc/20/83/98/412208398.db2.gz XVYMQOBWFHLERI-LLVKDONJSA-N 2 0 227.352 0.537 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N(CC)CCC[NH+](C)C ZINC000662534812 412208537 /nfs/dbraw/zinc/20/85/37/412208537.db2.gz KJPSWGDSYJECEO-LLVKDONJSA-N 2 0 229.368 0.785 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000662554556 412209669 /nfs/dbraw/zinc/20/96/69/412209669.db2.gz QDHUXLZIVVLHLA-SNVBAGLBSA-N 2 0 213.325 0.243 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000662539917 412209815 /nfs/dbraw/zinc/20/98/15/412209815.db2.gz OAMDPZQLNAEEHS-FOGDFJRCSA-N 2 0 239.363 0.726 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000662542155 412210633 /nfs/dbraw/zinc/21/06/33/412210633.db2.gz KJEGPRGBAMKOSA-GHMZBOCLSA-N 2 0 227.352 0.395 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000662559476 412211244 /nfs/dbraw/zinc/21/12/44/412211244.db2.gz DHBYVFDWRVMKOB-ONGXEEELSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H](C[NH3+])CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662548393 412211730 /nfs/dbraw/zinc/21/17/30/412211730.db2.gz DXXYMIWMFKUOND-GWCFXTLKSA-N 2 0 247.342 0.932 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000662395109 412144092 /nfs/dbraw/zinc/14/40/92/412144092.db2.gz JFEBRBAXNNSWEY-UWVGGRQHSA-N 2 0 225.336 0.243 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000662401580 412145485 /nfs/dbraw/zinc/14/54/85/412145485.db2.gz WZQCIMNSCJMVLO-ZJUUUORDSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000662401578 412145813 /nfs/dbraw/zinc/14/58/13/412145813.db2.gz WZQCIMNSCJMVLO-UWVGGRQHSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC(C[NH3+])CC1 ZINC000662396293 412146374 /nfs/dbraw/zinc/14/63/74/412146374.db2.gz WGWHXSADJXZPNM-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000662402788 412147645 /nfs/dbraw/zinc/14/76/45/412147645.db2.gz NOFCJAWJBCGMFC-ZJUUUORDSA-N 2 0 213.325 0.243 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000662397465 412147820 /nfs/dbraw/zinc/14/78/20/412147820.db2.gz FAOUMXDWLWXICG-GUBZILKMSA-N 2 0 213.325 0.323 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662397534 412147882 /nfs/dbraw/zinc/14/78/82/412147882.db2.gz FLLFCOSLSZLALJ-VIFPVBQESA-N 2 0 213.325 0.100 20 0 BCADRP [NH3+]C1(CC(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000662403006 412150800 /nfs/dbraw/zinc/15/08/00/412150800.db2.gz RJELRCDSCSQRLV-VIFPVBQESA-N 2 0 211.309 0.126 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000662405830 412152357 /nfs/dbraw/zinc/15/23/57/412152357.db2.gz QKDKYLLTBPYYFD-ILDUYXDCSA-N 2 0 243.351 0.125 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000662410560 412154740 /nfs/dbraw/zinc/15/47/40/412154740.db2.gz SHVIIBQBQLUXIX-MWLCHTKSSA-N 2 0 225.336 0.337 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000662411780 412155442 /nfs/dbraw/zinc/15/54/42/412155442.db2.gz LNBGNHLPTMWRMP-RYUDHWBXSA-N 2 0 241.379 0.866 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000662415625 412156457 /nfs/dbraw/zinc/15/64/57/412156457.db2.gz IJIQFDKEDFJMCH-BBBLOLIVSA-N 2 0 213.325 0.193 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000662414305 412157398 /nfs/dbraw/zinc/15/73/98/412157398.db2.gz QBVXVMICLANTPQ-NXEZZACHSA-N 2 0 213.325 0.052 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000662417135 412157906 /nfs/dbraw/zinc/15/79/06/412157906.db2.gz NCSBPQSNPNTXLG-GXSJLCMTSA-N 2 0 213.325 0.228 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000662416366 412158228 /nfs/dbraw/zinc/15/82/28/412158228.db2.gz CHNHZJMGQAYRRR-GUBZILKMSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000662418864 412159443 /nfs/dbraw/zinc/15/94/43/412159443.db2.gz XPQLXIWRPZAXMN-UWVGGRQHSA-N 2 0 215.341 0.474 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)NC1(C[NH3+])CCCC1 ZINC000662417956 412159781 /nfs/dbraw/zinc/15/97/81/412159781.db2.gz YFDNRLIIRRGOGB-VIFPVBQESA-N 2 0 213.325 0.372 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000662418840 412160024 /nfs/dbraw/zinc/16/00/24/412160024.db2.gz CFIWCRUVAZDXSW-UWVGGRQHSA-N 2 0 213.325 0.180 20 0 BCADRP CN(CCC[NH3+])C(=O)C1([NH2+]C2CC2)CCC1 ZINC000662420013 412161216 /nfs/dbraw/zinc/16/12/16/412161216.db2.gz BLSNUCZFSWEXSP-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP CCC[N@@H+]1CC[C@H](N[C@H](C)C2C[NH2+]C2)C1 ZINC000665274093 412215834 /nfs/dbraw/zinc/21/58/34/412215834.db2.gz JLPWNPAWDHDUST-PWSUYJOCSA-N 2 0 211.353 0.668 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662420802 412161700 /nfs/dbraw/zinc/16/17/00/412161700.db2.gz IRDNKNMAVHALKH-XWLWVQCSSA-N 2 0 225.336 0.357 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000662420563 412161897 /nfs/dbraw/zinc/16/18/97/412161897.db2.gz AWICPGRALJMCJW-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662423239 412162358 /nfs/dbraw/zinc/16/23/58/412162358.db2.gz FBIIDVBUURQKKS-QMMMGPOBSA-N 2 0 213.325 0.228 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662422362 412162400 /nfs/dbraw/zinc/16/24/00/412162400.db2.gz IFYDDWMDFYIYNY-JTQLQIEISA-N 2 0 239.363 0.748 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000662423996 412163711 /nfs/dbraw/zinc/16/37/11/412163711.db2.gz SBYTUKXWRCNALV-DCAQKATOSA-N 2 0 227.352 0.618 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000662425229 412165766 /nfs/dbraw/zinc/16/57/66/412165766.db2.gz YSKAMNNDNCOPAH-LPEHRKFASA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC1CC[NH+](C)CC1 ZINC000662434799 412171431 /nfs/dbraw/zinc/17/14/31/412171431.db2.gz HYFDXRDEHSILGR-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP COC[C@H](CC[NH2+][C@@H](C)C[C@H](C)[NH3+])OC ZINC000665234394 412173704 /nfs/dbraw/zinc/17/37/04/412173704.db2.gz CFIHLMYZFXGKBQ-DCAQKATOSA-N 2 0 218.341 0.753 20 0 BCADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])[C@@H]1CCOC1 ZINC000665235055 412174056 /nfs/dbraw/zinc/17/40/56/412174056.db2.gz OVSAGGIPULMWDB-DDHJBXDOSA-N 2 0 228.336 0.507 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+](C)C(C)C ZINC000662437802 412174601 /nfs/dbraw/zinc/17/46/01/412174601.db2.gz VCCMDQSRXLIPSL-SNVBAGLBSA-N 2 0 215.341 0.441 20 0 BCADRP COC[C@H](CC[NH2+][C@H]1CCC[C@H]1[NH3+])OC ZINC000665234337 412174996 /nfs/dbraw/zinc/17/49/96/412174996.db2.gz BJIAHULTRKEDEZ-AXFHLTTASA-N 2 0 216.325 0.507 20 0 BCADRP CC(C)OC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000662645273 412255582 /nfs/dbraw/zinc/25/55/82/412255582.db2.gz AYGITXOKKWIWEP-JTQLQIEISA-N 2 0 243.351 0.126 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)NCC1([NH3+])CCCC1 ZINC000662648246 412256010 /nfs/dbraw/zinc/25/60/10/412256010.db2.gz HTGIKPXVNYCXKT-VIFPVBQESA-N 2 0 213.325 0.230 20 0 BCADRP [NH3+]C1(CNC(=O)C[C@H]2CCC[NH2+]C2)CCCC1 ZINC000662648393 412256328 /nfs/dbraw/zinc/25/63/28/412256328.db2.gz VPOPERKHUAALRL-LLVKDONJSA-N 2 0 239.363 0.764 20 0 BCADRP CC(C)[C@H](C(=O)NCC1([NH3+])CCCC1)[C@H](C)[NH3+] ZINC000662649826 412256350 /nfs/dbraw/zinc/25/63/50/412256350.db2.gz SLVZNIBUBNYWRR-QWRGUYRKSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000662654677 412258730 /nfs/dbraw/zinc/25/87/30/412258730.db2.gz KULUXEGAHZBZOA-JTQLQIEISA-N 2 0 227.352 0.748 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000662686512 412270522 /nfs/dbraw/zinc/27/05/22/412270522.db2.gz GOUAWTHSDBZGHT-BJDJZHNGSA-N 2 0 237.347 0.467 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000662685634 412270807 /nfs/dbraw/zinc/27/08/07/412270807.db2.gz WOMLBBABENRCAI-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662693821 412273399 /nfs/dbraw/zinc/27/33/99/412273399.db2.gz YTCQOFUKHHDUAU-QWRGUYRKSA-N 2 0 239.363 0.585 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662702078 412275527 /nfs/dbraw/zinc/27/55/27/412275527.db2.gz WXMVCKHTZHCXFS-XYPYZODXSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]1CCN(C(=O)C[C@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000662699099 412275752 /nfs/dbraw/zinc/27/57/52/412275752.db2.gz WHHQJVTYLNHHFS-UTUOFQBUSA-N 2 0 239.363 0.572 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662709282 412278553 /nfs/dbraw/zinc/27/85/53/412278553.db2.gz ALMKUIVXDYHKEO-LLVKDONJSA-N 2 0 241.379 0.831 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000662707802 412278976 /nfs/dbraw/zinc/27/89/76/412278976.db2.gz IACLIRCRGPZJJG-SRVKXCTJSA-N 2 0 237.347 0.420 20 0 BCADRP CC(C)[C@@H](C(=O)NCC12CC(C1)C[NH2+]2)[C@@H](C)[NH3+] ZINC000662718883 412282047 /nfs/dbraw/zinc/28/20/47/412282047.db2.gz RRUOGGBTYHMRRI-YLXHPXFOSA-N 2 0 239.363 0.474 20 0 BCADRP [NH3+]C1(CC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000662719794 412283061 /nfs/dbraw/zinc/28/30/61/412283061.db2.gz KUGAUBRAMPJLTF-NSHDSACASA-N 2 0 237.347 0.468 20 0 BCADRP CN(C(=O)CC1([NH3+])CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000662719551 412283475 /nfs/dbraw/zinc/28/34/75/412283475.db2.gz FMBZNKQEEJLQHT-LLVKDONJSA-N 2 0 237.347 0.563 20 0 BCADRP CN(C(=O)CC1([NH3+])CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000662719552 412283520 /nfs/dbraw/zinc/28/35/20/412283520.db2.gz FMBZNKQEEJLQHT-NSHDSACASA-N 2 0 237.347 0.563 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662724161 412284360 /nfs/dbraw/zinc/28/43/60/412284360.db2.gz MBSKHWBLKFLKIH-PWSUYJOCSA-N 2 0 229.368 0.994 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662723936 412284671 /nfs/dbraw/zinc/28/46/71/412284671.db2.gz JPRJFSIZEPRIEY-CKBZRRDASA-N 2 0 225.336 0.372 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C1(C)C[NH2+]C1 ZINC000662730463 412286525 /nfs/dbraw/zinc/28/65/25/412286525.db2.gz GAIWZKRULFMTQB-SECBINFHSA-N 2 0 213.325 0.086 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)CC(C)(C)[NH3+] ZINC000662730815 412286962 /nfs/dbraw/zinc/28/69/62/412286962.db2.gz QBUKEBXAVLVLGJ-SECBINFHSA-N 2 0 215.341 0.603 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662730801 412287017 /nfs/dbraw/zinc/28/70/17/412287017.db2.gz PQJPLNRYTJGCPJ-LLVKDONJSA-N 2 0 229.368 0.864 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000662568723 412215969 /nfs/dbraw/zinc/21/59/69/412215969.db2.gz KIIYNAIJVOMLNM-WDEREUQCSA-N 2 0 227.352 0.633 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000662556402 412216413 /nfs/dbraw/zinc/21/64/13/412216413.db2.gz QOTLZGAIPUXIQQ-VPOLOUISSA-N 2 0 225.336 0.500 20 0 BCADRP CC[C@@H]1CN(C(=O)C[NH2+]C(C)C)CC[C@@H]1[NH3+] ZINC000662558059 412217508 /nfs/dbraw/zinc/21/75/08/412217508.db2.gz SLOBDDSENGXWLC-MNOVXSKESA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000662572094 412219030 /nfs/dbraw/zinc/21/90/30/412219030.db2.gz MDRBZKPULDAOCE-NKWVEPMBSA-N 2 0 241.257 0.380 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000662560548 412219059 /nfs/dbraw/zinc/21/90/59/412219059.db2.gz GFGLSPLFEUPCPN-NXEZZACHSA-N 2 0 213.325 0.241 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662563923 412219794 /nfs/dbraw/zinc/21/97/94/412219794.db2.gz KLBAFUVBEPXISS-JXUBOQSCSA-N 2 0 211.309 0.062 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000662564733 412220063 /nfs/dbraw/zinc/22/00/63/412220063.db2.gz VKDBNJSJSFXUKU-VHSXEESVSA-N 2 0 215.341 0.618 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H](C)CCCC[NH3+] ZINC000662564447 412220077 /nfs/dbraw/zinc/22/00/77/412220077.db2.gz QMLAQKOJYOUHNU-SNVBAGLBSA-N 2 0 215.341 0.618 20 0 BCADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662562110 412220142 /nfs/dbraw/zinc/22/01/42/412220142.db2.gz UHCNAAYVTWEBQS-UTUOFQBUSA-N 2 0 239.363 0.701 20 0 BCADRP C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000665278097 412220380 /nfs/dbraw/zinc/22/03/80/412220380.db2.gz VBRWLSIUJSDWDK-DKNRTOFZSA-N 2 0 235.375 0.955 20 0 BCADRP C[C@@H](NCC12CC(C1)C[NH2+]2)[C@@H]1CCCC[NH2+]1 ZINC000665280367 412221199 /nfs/dbraw/zinc/22/11/99/412221199.db2.gz ZROZVSAEFMGUDN-IGJPJIBNSA-N 2 0 223.364 0.859 20 0 BCADRP C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000665278096 412222013 /nfs/dbraw/zinc/22/20/13/412222013.db2.gz VBRWLSIUJSDWDK-CEUNDQEZSA-N 2 0 235.375 0.955 20 0 BCADRP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C12CC(C1)C[NH2+]2 ZINC000665279742 412223427 /nfs/dbraw/zinc/22/34/27/412223427.db2.gz KUEKNUCFERJGOE-FMNWTUGISA-N 2 0 221.348 0.611 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000662576364 412223609 /nfs/dbraw/zinc/22/36/09/412223609.db2.gz ZOIDYLKGEQTSNH-JFGNBEQYSA-N 2 0 227.352 0.428 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662570168 412223645 /nfs/dbraw/zinc/22/36/45/412223645.db2.gz HGUMODHWODPPGK-MMWGEVLESA-N 2 0 225.336 0.357 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662570170 412223881 /nfs/dbraw/zinc/22/38/81/412223881.db2.gz HGUMODHWODPPGK-ZDCRXTMVSA-N 2 0 225.336 0.357 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000662569545 412223979 /nfs/dbraw/zinc/22/39/79/412223979.db2.gz SBAUSIGOTQZDRD-SDDRHHMPSA-N 2 0 239.363 0.762 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000662570853 412223982 /nfs/dbraw/zinc/22/39/82/412223982.db2.gz IRWFZAFXHOVEMF-SNVBAGLBSA-N 2 0 213.325 0.180 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000662572642 412224785 /nfs/dbraw/zinc/22/47/85/412224785.db2.gz ZZAIZPNIMHMVDD-VHSXEESVSA-N 2 0 227.352 0.489 20 0 BCADRP [NH3+]C[C@H]1CCCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665280223 412224923 /nfs/dbraw/zinc/22/49/23/412224923.db2.gz WEUURQTWAJCFHU-QZQSVVMZSA-N 2 0 223.364 0.846 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000662572713 412225080 /nfs/dbraw/zinc/22/50/80/412225080.db2.gz CMODFMRULIOMJA-GHMZBOCLSA-N 2 0 227.352 0.428 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000662573869 412226291 /nfs/dbraw/zinc/22/62/91/412226291.db2.gz WMMCMCUGLFQLJJ-SECBINFHSA-N 2 0 213.325 0.195 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000662574788 412226297 /nfs/dbraw/zinc/22/62/97/412226297.db2.gz PPEUGASKOQGVTH-VWYCJHECSA-N 2 0 227.352 0.428 20 0 BCADRP CN(CC[NH3+])C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662576725 412226315 /nfs/dbraw/zinc/22/63/15/412226315.db2.gz ZJWRLFOASNPNJY-UHFFFAOYSA-N 2 0 239.344 0.425 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C)Cc1c[nH]cn1 ZINC000662584333 412228487 /nfs/dbraw/zinc/22/84/87/412228487.db2.gz AFEFUBWZLOURJG-SECBINFHSA-N 2 0 224.308 0.756 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N(C)Cc1c[nH]cn1 ZINC000662584504 412228559 /nfs/dbraw/zinc/22/85/59/412228559.db2.gz BPZQDMJIUVNSSG-VIFPVBQESA-N 2 0 210.281 0.366 20 0 BCADRP [NH3+]CCC1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000662583647 412228985 /nfs/dbraw/zinc/22/89/85/412228985.db2.gz FENWOOZIYIAGBJ-NEPJUHHUSA-N 2 0 239.363 0.701 20 0 BCADRP C[NH2+]C[C@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000665296689 412231452 /nfs/dbraw/zinc/23/14/52/412231452.db2.gz WLRUUMAVGZGATA-UWVGGRQHSA-N 2 0 200.326 0.999 20 0 BCADRP C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621532 412231769 /nfs/dbraw/zinc/23/17/69/412231769.db2.gz IXEHLSLVCRWSIQ-IUCAKERBSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662589733 412232308 /nfs/dbraw/zinc/23/23/08/412232308.db2.gz CZCSHBHGPQIXIV-VHSXEESVSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)CC(C)(C)[NH3+] ZINC000662611590 412232462 /nfs/dbraw/zinc/23/24/62/412232462.db2.gz AVBQYTPQNCTITK-IUCAKERBSA-N 2 0 215.341 0.556 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662589732 412232589 /nfs/dbraw/zinc/23/25/89/412232589.db2.gz CZCSHBHGPQIXIV-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000662592711 412233622 /nfs/dbraw/zinc/23/36/22/412233622.db2.gz JQKZWFAJLQUVSV-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662592163 412234046 /nfs/dbraw/zinc/23/40/46/412234046.db2.gz XOBYIEJNVOTVPA-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)C1CC1 ZINC000665288970 412234372 /nfs/dbraw/zinc/23/43/72/412234372.db2.gz BZIACDCWVVLIPM-SSDOTTSWSA-N 2 0 222.292 0.529 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662604504 412236628 /nfs/dbraw/zinc/23/66/28/412236628.db2.gz FTKYRNAJSDEFSY-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[C@@H](C(=O)N(C)CC(C)(C)[NH3+])[C@H](C)[NH3+] ZINC000662605882 412237153 /nfs/dbraw/zinc/23/71/53/412237153.db2.gz SYNQHRVRMHIIBF-VHSXEESVSA-N 2 0 229.368 0.802 20 0 BCADRP CC(C)[C@H](C(=O)N(C)CC(C)(C)[NH3+])[C@@H](C)[NH3+] ZINC000662605883 412237329 /nfs/dbraw/zinc/23/73/29/412237329.db2.gz SYNQHRVRMHIIBF-ZJUUUORDSA-N 2 0 229.368 0.802 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000662605898 412237987 /nfs/dbraw/zinc/23/79/87/412237987.db2.gz UBWXMRGHMOUEDH-SECBINFHSA-N 2 0 245.392 0.277 20 0 BCADRP C[C@@H]1CC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000665291070 412238034 /nfs/dbraw/zinc/23/80/34/412238034.db2.gz TVDDDNWDSQDBID-BDAKNGLRSA-N 2 0 236.319 0.919 20 0 BCADRP CO[C@@H](C)[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291569 412238184 /nfs/dbraw/zinc/23/81/84/412238184.db2.gz FWYJTOQRNQYORJ-YUMQZZPRSA-N 2 0 240.307 0.154 20 0 BCADRP CC[C@H]1CC[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665293291 412238680 /nfs/dbraw/zinc/23/86/80/412238680.db2.gz XIMBUDJUVZYBPU-WCBMZHEXSA-N 2 0 236.319 0.919 20 0 BCADRP C[NH2+]C[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000665295227 412242801 /nfs/dbraw/zinc/24/28/01/412242801.db2.gz ALBVPIUYSWQXBA-WDEREUQCSA-N 3 0 213.369 0.914 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662619284 412244205 /nfs/dbraw/zinc/24/42/05/412244205.db2.gz JSFKSIVVIFKWBC-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621920 412244268 /nfs/dbraw/zinc/24/42/68/412244268.db2.gz LVLJUBNWAHXFCN-WDEREUQCSA-N 2 0 241.379 0.831 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621720 412244487 /nfs/dbraw/zinc/24/44/87/412244487.db2.gz JIEYFDSVCKGGBE-NXEZZACHSA-N 2 0 227.352 0.713 20 0 BCADRP C[NH2+]C[C@H](C)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000665296769 412244780 /nfs/dbraw/zinc/24/47/80/412244780.db2.gz XOFVKOIWYWJPSH-SCVCMEIPSA-N 2 0 211.353 0.667 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621918 412244933 /nfs/dbraw/zinc/24/49/33/412244933.db2.gz LVLJUBNWAHXFCN-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP C[NH2+]C[C@@H](C)N[C@H](C)c1c[nH+]ccc1N ZINC000665299905 412248256 /nfs/dbraw/zinc/24/82/56/412248256.db2.gz VFSVPVFQJRBQQA-RKDXNWHRSA-N 2 0 208.309 0.753 20 0 BCADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCOCCF)C1 ZINC000665298932 412248495 /nfs/dbraw/zinc/24/84/95/412248495.db2.gz CHXVCZFRODBHAP-VHSXEESVSA-N 2 0 204.289 0.832 20 0 BCADRP C[C@@H](CCNC(=O)C1(C)C[NH2+]C1)[NH+](C)C ZINC000662632749 412249932 /nfs/dbraw/zinc/24/99/32/412249932.db2.gz GUQFSNMRPRIRSU-VIFPVBQESA-N 2 0 213.325 0.052 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC000662633654 412251506 /nfs/dbraw/zinc/25/15/06/412251506.db2.gz NAZXLGIARSLTBD-UWVGGRQHSA-N 2 0 215.341 0.426 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC000662633655 412251652 /nfs/dbraw/zinc/25/16/52/412251652.db2.gz NAZXLGIARSLTBD-VHSXEESVSA-N 2 0 215.341 0.426 20 0 BCADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CC3([NH3+])CC3)[C@@H]2C1 ZINC000662804639 412306377 /nfs/dbraw/zinc/30/63/77/412306377.db2.gz GEJVKOHQBGSQEI-GHMZBOCLSA-N 2 0 237.347 0.420 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2C[C@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000662817563 412308579 /nfs/dbraw/zinc/30/85/79/412308579.db2.gz JILMILMGRUMXRS-PZWNZHSQSA-N 2 0 239.363 0.556 20 0 BCADRP C[C@@H]1CN(C(=O)CC2([NH3+])CC2)C[C@@]1(C)C[NH3+] ZINC000662815239 412308787 /nfs/dbraw/zinc/30/87/87/412308787.db2.gz PRSAMPSTTDNSPF-MWLCHTKSSA-N 2 0 225.336 0.311 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662813605 412309008 /nfs/dbraw/zinc/30/90/08/412309008.db2.gz AWLBSOPFNUEZES-GUBZILKMSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662822145 412311653 /nfs/dbraw/zinc/31/16/53/412311653.db2.gz OHTPGYVRWKEYPZ-LPEHRKFASA-N 2 0 227.352 0.617 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662822746 412312163 /nfs/dbraw/zinc/31/21/63/412312163.db2.gz QLMPZGDICSPUCQ-JLIMGVALSA-N 2 0 213.325 0.356 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)CC1([NH3+])CC1 ZINC000662827898 412313749 /nfs/dbraw/zinc/31/37/49/412313749.db2.gz PQXHLLQACHXZBA-UHFFFAOYSA-N 2 0 241.379 0.962 20 0 BCADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000662828598 412314181 /nfs/dbraw/zinc/31/41/81/412314181.db2.gz FYOSWEDYXDHLFX-SNVBAGLBSA-N 2 0 239.363 0.620 20 0 BCADRP [NH3+]CCC1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662832407 412315334 /nfs/dbraw/zinc/31/53/34/412315334.db2.gz VXFKCVNWCDAOPG-UHFFFAOYSA-N 2 0 225.336 0.455 20 0 BCADRP [NH3+]CCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662839335 412316221 /nfs/dbraw/zinc/31/62/21/412316221.db2.gz PVTORPIFEXRCSL-WDEREUQCSA-N 2 0 225.336 0.468 20 0 BCADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CC[NH2+]1 ZINC000662840081 412318870 /nfs/dbraw/zinc/31/88/70/412318870.db2.gz XNKDHWHFMXNZTH-QJPTWQEYSA-N 2 0 237.347 0.481 20 0 BCADRP CC(C)c1cc(N[C@@H](C)C[NH3+])nc(N(C)C)[nH+]1 ZINC000420248012 412321366 /nfs/dbraw/zinc/32/13/66/412321366.db2.gz PJZREFTVFIZBJM-VIFPVBQESA-N 2 0 237.351 1.425 20 0 BCADRP C[C@@H](CCNC(=O)c1c[nH+]ccc1N)[NH+](C)C ZINC000662857684 412326723 /nfs/dbraw/zinc/32/67/23/412326723.db2.gz CBYCKCPQTMGNTR-VIFPVBQESA-N 2 0 236.319 0.564 20 0 BCADRP C[C@@H](CCNC(=O)[C@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000662860923 412327940 /nfs/dbraw/zinc/32/79/40/412327940.db2.gz VNOOMKPAKHIILH-WCQYABFASA-N 2 0 241.379 0.833 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC2([NH3+])CCCC2)C1 ZINC000662863344 412329596 /nfs/dbraw/zinc/32/95/96/412329596.db2.gz OVVGLMBMCPPTQU-MNOVXSKESA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)CC(C)(C)[NH3+])CC[N@@H+]1C ZINC000132939476 412367094 /nfs/dbraw/zinc/36/70/94/412367094.db2.gz ZSVOJCIHJKFJLB-NXEZZACHSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)CC(C)(C)[NH3+])CC[N@@H+]1C ZINC000132939880 412367150 /nfs/dbraw/zinc/36/71/50/412367150.db2.gz ZSVOJCIHJKFJLB-ZJUUUORDSA-N 2 0 227.352 0.713 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000662894673 412337252 /nfs/dbraw/zinc/33/72/52/412337252.db2.gz BTVQGLLJPFFYJQ-DBIOUOCHSA-N 2 0 225.336 0.310 20 0 BCADRP CC(C)[C@H](C(=O)NCC12CC(C1)C[NH2+]2)[NH+](C)C ZINC000662923705 412346181 /nfs/dbraw/zinc/34/61/81/412346181.db2.gz YCMZOGLTSVABLK-QWKFWESOSA-N 2 0 239.363 0.441 20 0 BCADRP C[C@@]1(NC(=O)c2ccc(C[NH3+])o2)CC[NH2+]C1 ZINC000663003742 412367549 /nfs/dbraw/zinc/36/75/49/412367549.db2.gz IOBWFTWBWQOLEF-LLVKDONJSA-N 2 0 223.276 0.220 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000662924864 412346689 /nfs/dbraw/zinc/34/66/89/412346689.db2.gz KAZHMLHMGHCHIS-GHMZBOCLSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@@]1(C(=O)NCC23CC(C2)C[NH2+]3)CCC[NH2+]1 ZINC000662923766 412346744 /nfs/dbraw/zinc/34/67/44/412346744.db2.gz ZVDRKLYCCOVOQY-GDKBPFBDSA-N 2 0 237.347 0.387 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)C1([NH3+])CCCC1 ZINC000662925148 412347137 /nfs/dbraw/zinc/34/71/37/412347137.db2.gz NOYRYTBVBQPBAP-SNVBAGLBSA-N 2 0 227.352 0.748 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000662927447 412347848 /nfs/dbraw/zinc/34/78/48/412347848.db2.gz ZYDXFIJJYYNJMN-DGCLKSJQSA-N 2 0 241.379 0.866 20 0 BCADRP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132906062 412350863 /nfs/dbraw/zinc/35/08/63/412350863.db2.gz SEPUZIDVGRGBDW-GARJFASQSA-N 2 0 225.336 0.467 20 0 BCADRP CC[C@]1(C(=O)N2CCC[C@@H]([NH2+]C)C2)CCC[NH2+]1 ZINC000134367226 171710262 /nfs/dbraw/zinc/71/02/62/171710262.db2.gz VGVYODOLDSUYJA-DGCLKSJQSA-N 2 0 239.363 0.729 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000662952740 412352298 /nfs/dbraw/zinc/35/22/98/412352298.db2.gz GCRXFEUMYSRQNM-GXFFZTMASA-N 2 0 247.342 0.425 20 0 BCADRP CC[C@]1(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)CCC[NH2+]1 ZINC000332676908 171710495 /nfs/dbraw/zinc/71/04/95/171710495.db2.gz RZJLHORQNFJZQD-JBLDHEPKSA-N 2 0 225.336 0.467 20 0 BCADRP CC[C@]1(C(=O)N(C)[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000378226510 171710620 /nfs/dbraw/zinc/71/06/20/171710620.db2.gz VHPKKALNNADZKS-PWSUYJOCSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C ZINC000662952822 412352619 /nfs/dbraw/zinc/35/26/19/412352619.db2.gz HUADYRHGFHYUNS-IUCAKERBSA-N 2 0 201.314 0.084 20 0 BCADRP CC[C@]1(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CCC[NH2+]1 ZINC000186868609 171711374 /nfs/dbraw/zinc/71/13/74/171711374.db2.gz OZEXUTHOQGLYSW-DMDPSCGWSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CCC[C@H]2C[NH3+])CCC[NH2+]1 ZINC000248741102 171711907 /nfs/dbraw/zinc/71/19/07/171711907.db2.gz RERLLMNPELNYRC-GMXVVIOVSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)c1ccc(C[NH3+])o1 ZINC000662953167 412353665 /nfs/dbraw/zinc/35/36/65/412353665.db2.gz KREGBZNPBJRKJT-SSDOTTSWSA-N 2 0 211.265 0.076 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000662954534 412353785 /nfs/dbraw/zinc/35/37/85/412353785.db2.gz WBCGRROLJMMJOP-WDEREUQCSA-N 2 0 241.379 0.736 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)C[NH2+]C ZINC000662964367 412356968 /nfs/dbraw/zinc/35/69/68/412356968.db2.gz DFGGYCRUKFRCMH-BBBLOLIVSA-N 2 0 213.325 0.099 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000662965160 412357644 /nfs/dbraw/zinc/35/76/44/412357644.db2.gz IDOUFDQTKICAMA-UWVGGRQHSA-N 2 0 215.341 0.297 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000662966144 412357975 /nfs/dbraw/zinc/35/79/75/412357975.db2.gz QBLPOIQTSHUYDJ-NHCYSSNCSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[N@@H+]1C ZINC000132921795 412358439 /nfs/dbraw/zinc/35/84/39/412358439.db2.gz RZJIMMLDNPRCAC-KXNHARMFSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[N@@H+]1C ZINC000132921582 412358720 /nfs/dbraw/zinc/35/87/20/412358720.db2.gz RZJIMMLDNPRCAC-QCNOEVLYSA-N 2 0 239.363 0.713 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000662968505 412359884 /nfs/dbraw/zinc/35/98/84/412359884.db2.gz JGVOSJIMOAMWBF-ZJUUUORDSA-N 2 0 213.325 0.100 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)c1conc1C(C)(C)[NH3+] ZINC000662970398 412360228 /nfs/dbraw/zinc/36/02/28/412360228.db2.gz XRRXHFYEBUNDNV-ZETCQYMHSA-N 2 0 240.307 0.206 20 0 BCADRP C[C@@H]([NH3+])C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662973125 412361857 /nfs/dbraw/zinc/36/18/57/412361857.db2.gz WTVXKWQORTTYJU-SNVBAGLBSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]CC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662973491 412362164 /nfs/dbraw/zinc/36/21/64/412362164.db2.gz ZUEHBUGKNQHULR-UHFFFAOYSA-N 2 0 225.336 0.183 20 0 BCADRP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000662747287 412289725 /nfs/dbraw/zinc/28/97/25/412289725.db2.gz YZYWPXZIPVMLGK-DDHJBXDOSA-N 2 0 239.363 0.665 20 0 BCADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH2+]C)[C@@H](C)C1 ZINC000662744061 412289802 /nfs/dbraw/zinc/28/98/02/412289802.db2.gz CCYXSIKFCYSACT-SDDRHHMPSA-N 2 0 241.379 0.783 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662748063 412290138 /nfs/dbraw/zinc/29/01/38/412290138.db2.gz KKJBTWGTGJUOQF-HTQZYQBOSA-N 2 0 217.288 0.012 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662762025 412293613 /nfs/dbraw/zinc/29/36/13/412293613.db2.gz SKCMJDFWSZWIAE-GMTAPVOTSA-N 2 0 239.363 0.570 20 0 BCADRP CCC[NH2+]CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662761697 412293802 /nfs/dbraw/zinc/29/38/02/412293802.db2.gz XMANOTKTMVMYFG-UHFFFAOYSA-N 2 0 239.363 0.777 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000662762788 412294025 /nfs/dbraw/zinc/29/40/25/412294025.db2.gz BYQBMYLYLFWLQD-ZJUUUORDSA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000662765340 412295217 /nfs/dbraw/zinc/29/52/17/412295217.db2.gz YLGAUHUTYOYHJG-LLVKDONJSA-N 2 0 248.330 0.664 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662765094 412295241 /nfs/dbraw/zinc/29/52/41/412295241.db2.gz VRIYBQGGGNXUCV-SECBINFHSA-N 2 0 225.336 0.502 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662768393 412295500 /nfs/dbraw/zinc/29/55/00/412295500.db2.gz CDLJRLIWVNKFBR-GMTAPVOTSA-N 2 0 239.363 0.489 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000662766683 412295557 /nfs/dbraw/zinc/29/55/57/412295557.db2.gz MAGNDPAIIVVGDS-NSHDSACASA-N 2 0 237.347 0.410 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2C[C@H]3[C@@H](C2)CCC[C@H]3[NH3+])C1 ZINC000662766374 412296037 /nfs/dbraw/zinc/29/60/37/412296037.db2.gz MCDSYCKEXFYTEP-PZWNZHSQSA-N 2 0 237.347 0.310 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000662770639 412297229 /nfs/dbraw/zinc/29/72/29/412297229.db2.gz PYAJEWQDNCJSQX-KYXWUPHJSA-N 2 0 211.309 0.110 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2[NH2+]CCC2(C)C)CC[NH2+]1 ZINC000662774705 412297928 /nfs/dbraw/zinc/29/79/28/412297928.db2.gz QXJTYAMJFYBFIA-OUAUKWLOSA-N 2 0 239.363 0.631 20 0 BCADRP [NH3+]CC1CCC([NH2+]CCNc2cnccn2)CC1 ZINC000422885846 412298162 /nfs/dbraw/zinc/29/81/62/412298162.db2.gz HKDZODPFTWKTPH-UHFFFAOYSA-N 2 0 249.362 0.996 20 0 BCADRP [NH3+]C1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC2(CCC2)C1 ZINC000662772545 412298269 /nfs/dbraw/zinc/29/82/69/412298269.db2.gz AIZAVBBSVKKIBV-PHIMTYICSA-N 2 0 249.358 0.326 20 0 BCADRP [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000662779613 412299672 /nfs/dbraw/zinc/29/96/72/412299672.db2.gz UJYZPWHJPFHHDW-NQBHXWOUSA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCNc1cnccn1 ZINC000422892013 412299778 /nfs/dbraw/zinc/29/97/78/412299778.db2.gz XITKYZHJTRQMKC-QWRGUYRKSA-N 2 0 235.335 0.606 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662778043 412300070 /nfs/dbraw/zinc/30/00/70/412300070.db2.gz BZCXEAZNJAOGID-GUBZILKMSA-N 2 0 213.325 0.357 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000662781913 412300540 /nfs/dbraw/zinc/30/05/40/412300540.db2.gz WSLJHAGWMWRGKN-VPOLOUISSA-N 2 0 227.352 0.487 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662783735 412301282 /nfs/dbraw/zinc/30/12/82/412301282.db2.gz QXCATHTXYVEXDS-RNFRBKRXSA-N 2 0 240.307 0.334 20 0 BCADRP C[C@@H](NC(=O)C1([NH2+]C2CC2)CCC1)[C@H](C)[NH3+] ZINC000662784686 412301365 /nfs/dbraw/zinc/30/13/65/412301365.db2.gz VRJGEFNXOJOPPN-DTWKUNHWSA-N 2 0 225.336 0.513 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662784502 412301764 /nfs/dbraw/zinc/30/17/64/412301764.db2.gz QJUOLAYFXRJDNI-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662784688 412301868 /nfs/dbraw/zinc/30/18/68/412301868.db2.gz VRJGEFNXOJOPPN-IUCAKERBSA-N 2 0 225.336 0.513 20 0 BCADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CC1([NH3+])CC1 ZINC000662794182 412304862 /nfs/dbraw/zinc/30/48/62/412304862.db2.gz PKZLTKSSINAYPB-QWRGUYRKSA-N 2 0 239.363 0.666 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663010959 412370264 /nfs/dbraw/zinc/37/02/64/412370264.db2.gz MWEMSPZHJBTMHT-JBLDHEPKSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@]1(NC(=O)C[C@@H]([NH3+])c2ccccc2)CC[NH2+]C1 ZINC000663012762 412370917 /nfs/dbraw/zinc/37/09/17/412370917.db2.gz YUPQWAKAXXWGFG-OCCSQVGLSA-N 2 0 247.342 0.945 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663012785 412370931 /nfs/dbraw/zinc/37/09/31/412370931.db2.gz ZFRTVHFAXJNUKO-NQBHXWOUSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663012784 412370966 /nfs/dbraw/zinc/37/09/66/412370966.db2.gz ZFRTVHFAXJNUKO-LOWVWBTDSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@]1(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[NH2+]C1 ZINC000663015758 412371661 /nfs/dbraw/zinc/37/16/61/412371661.db2.gz YIRINIZNENEHAC-UMNHJUIQSA-N 2 0 225.336 0.372 20 0 BCADRP CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CC([NH3+])C1 ZINC000336204005 172327222 /nfs/dbraw/zinc/32/72/22/172327222.db2.gz XDOKBPDVEPSYCQ-MFQSTILNSA-N 2 0 225.336 0.452 20 0 BCADRP CN(C(=O)[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000336315576 172329351 /nfs/dbraw/zinc/32/93/51/172329351.db2.gz OXZVFWRCYPZEKT-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP CN(C(=O)[C@@](C)([NH3+])c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000195232341 172330798 /nfs/dbraw/zinc/33/07/98/172330798.db2.gz YATREOPSHRBHCB-OCCSQVGLSA-N 2 0 247.342 0.681 20 0 BCADRP CN(C(=O)[C@@]1(C)CCCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000180897345 172331695 /nfs/dbraw/zinc/33/16/95/172331695.db2.gz VIMAHVYTHPRTDE-ZYHUDNBSSA-N 2 0 225.336 0.339 20 0 BCADRP CN(C(=O)[C@H]1CCCCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000364465194 172332726 /nfs/dbraw/zinc/33/27/26/172332726.db2.gz JBWIDWGJLYDHCR-WDEREUQCSA-N 2 0 225.336 0.339 20 0 BCADRP CN(C(=O)[C@]1(C)CCCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000180897358 172335701 /nfs/dbraw/zinc/33/57/01/172335701.db2.gz VIMAHVYTHPRTDE-PWSUYJOCSA-N 2 0 225.336 0.339 20 0 BCADRP CN(C(=O)[C@]1(C)CCCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000180897398 172335780 /nfs/dbraw/zinc/33/57/80/172335780.db2.gz VIMAHVYTHPRTDE-JQWIXIFHSA-N 2 0 225.336 0.339 20 0 BCADRP CN(C)C(=O)[C@H]1CCCN1C[C@H]1CCC[NH2+]C1 ZINC000250335612 172386006 /nfs/dbraw/zinc/38/60/06/172386006.db2.gz IKSSAOMYAHZBSI-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000040430472 172394582 /nfs/dbraw/zinc/39/45/82/172394582.db2.gz XCSVUWGAGUDJEY-SECBINFHSA-N 2 0 213.325 0.195 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364565335 172394821 /nfs/dbraw/zinc/39/48/21/172394821.db2.gz ZBJQSZJAJKTTPJ-MFKMUULPSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000040807115 172395888 /nfs/dbraw/zinc/39/58/88/172395888.db2.gz HUGFDYPCBHBVGI-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP CN(CC[NH+](C)C)C(=O)/C=C/C[NH+](C)C ZINC000267885709 172396905 /nfs/dbraw/zinc/39/69/05/172396905.db2.gz QZDTXAIPTFGEOE-VOTSOKGWSA-N 2 0 213.325 0.124 20 0 BCADRP C[NH+](C)CCCCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000336713170 172427083 /nfs/dbraw/zinc/42/70/83/172427083.db2.gz OFVOMNOCSZYUCS-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH+](C)CCNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061610585 172459432 /nfs/dbraw/zinc/45/94/32/172459432.db2.gz FEJAWNSTYFJWGZ-LBPRGKRZSA-N 2 0 235.331 0.407 20 0 BCADRP C[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000061644913 172496164 /nfs/dbraw/zinc/49/61/64/172496164.db2.gz INIYIAODUASGGM-VXGBXAGGSA-N 2 0 239.363 0.681 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)CC1CC[NH2+]CC1 ZINC000377151674 172624755 /nfs/dbraw/zinc/62/47/55/172624755.db2.gz LFAJFWRIHGFZAP-UHFFFAOYSA-N 2 0 241.379 0.819 20 0 BCADRP C[NH+]1CCC(CNC(=O)C2([NH3+])CCCC2)CC1 ZINC000044526645 172985397 /nfs/dbraw/zinc/98/53/97/172985397.db2.gz WNNZWCYXNHCFGH-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000020217825 173012432 /nfs/dbraw/zinc/01/24/32/173012432.db2.gz DPIMURVXZCNMNZ-LLVKDONJSA-N 2 0 225.336 0.150 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](O)C1 ZINC000305660810 173027815 /nfs/dbraw/zinc/02/78/15/173027815.db2.gz OFTHRMWRZMBWKG-VXGBXAGGSA-N 2 0 212.337 0.927 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000082284251 173030932 /nfs/dbraw/zinc/03/09/32/173030932.db2.gz AAMSQRCWCWTIRO-CYBMUJFWSA-N 2 0 247.342 0.969 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000226394550 173031585 /nfs/dbraw/zinc/03/15/85/173031585.db2.gz JIVOUGRSDHQHBF-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH3+])CCCCC1 ZINC000224045968 173032253 /nfs/dbraw/zinc/03/22/53/173032253.db2.gz VXOXKBZQPKPTBB-LLVKDONJSA-N 2 0 239.363 0.858 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC1([NH3+])CCC1 ZINC000333937271 173032260 /nfs/dbraw/zinc/03/22/60/173032260.db2.gz LKXKQPDLCOLJFF-SNVBAGLBSA-N 2 0 240.351 0.261 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](CC(N)=O)C1 ZINC000377505924 173052454 /nfs/dbraw/zinc/05/24/54/173052454.db2.gz QWOYMGNZLHAJIA-NEPJUHHUSA-N 2 0 239.363 0.668 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@](C)(C(N)=O)C1 ZINC000361567322 173052535 /nfs/dbraw/zinc/05/25/35/173052535.db2.gz ULOFPQZHDOMSEW-AAEUAGOBSA-N 2 0 239.363 0.668 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000337403969 173054395 /nfs/dbraw/zinc/05/43/95/173054395.db2.gz LAOQHVIQLXPYBS-NSHDSACASA-N 2 0 240.351 0.086 20 0 BCADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366442810 173054704 /nfs/dbraw/zinc/05/47/04/173054704.db2.gz SBDTZXGZHJUFBS-WUHRBBMRSA-N 2 0 224.348 0.641 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH3+])CCCC1 ZINC000226394154 173054749 /nfs/dbraw/zinc/05/47/49/173054749.db2.gz VTXMPHHIWUZMGO-NSHDSACASA-N 2 0 239.363 0.716 20 0 BCADRP C[NH+]1CCN(CCC[NH2+]Cc2ccccn2)CC1 ZINC000020128503 173078387 /nfs/dbraw/zinc/07/83/87/173078387.db2.gz BTHATKUXQGHKLT-UHFFFAOYSA-N 2 0 248.374 0.809 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000336615057 173110923 /nfs/dbraw/zinc/11/09/23/173110923.db2.gz HTTBKSRNHJGQBJ-NEPJUHHUSA-N 2 0 239.363 0.491 20 0 BCADRP C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000336358746 173141383 /nfs/dbraw/zinc/14/13/83/173141383.db2.gz JIBZJBNGOMPNRF-QWRGUYRKSA-N 2 0 225.336 0.149 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000336615058 173141960 /nfs/dbraw/zinc/14/19/60/173141960.db2.gz HTTBKSRNHJGQBJ-NWDGAFQWSA-N 2 0 239.363 0.491 20 0 BCADRP CN1CC[C@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)C1=O ZINC000310516937 173150556 /nfs/dbraw/zinc/15/05/56/173150556.db2.gz MPOLCCKJMGFVHJ-NSHDSACASA-N 2 0 237.347 0.293 20 0 BCADRP C[N@@H+]1CC[C@]2(CC[NH+](CCC3OCCO3)C2)C1 ZINC000366535293 173167835 /nfs/dbraw/zinc/16/78/35/173167835.db2.gz OLXJCVSVWRUXHU-ZDUSSCGKSA-N 2 0 240.347 0.777 20 0 BCADRP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCCC[C@H]3O)C[C@@H]2C1 ZINC000193597082 173197652 /nfs/dbraw/zinc/19/76/52/173197652.db2.gz KXQIJELNNDEKMN-YVECIDJPSA-N 2 0 224.348 0.783 20 0 BCADRP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCCC[C@H]3O)C[C@@H]2C1 ZINC000193597095 173199328 /nfs/dbraw/zinc/19/93/28/173199328.db2.gz KXQIJELNNDEKMN-QNWHQSFQSA-N 2 0 224.348 0.783 20 0 BCADRP CNC(=O)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000043497643 173223793 /nfs/dbraw/zinc/22/37/93/173223793.db2.gz UWMILUGIXLGYNG-UHFFFAOYSA-N 2 0 239.363 0.444 20 0 BCADRP CNC(=O)CC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000123619458 173248723 /nfs/dbraw/zinc/24/87/23/173248723.db2.gz HUPPAIVIFDBACF-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP CNC(=O)CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000125745493 173251589 /nfs/dbraw/zinc/25/15/89/173251589.db2.gz TVRMNNFDZIXRPG-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000309616748 173280187 /nfs/dbraw/zinc/28/01/87/173280187.db2.gz DAXOTFXBTKVBCO-SNVBAGLBSA-N 2 0 229.368 0.688 20 0 BCADRP CNC(=O)C[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000341906126 173280382 /nfs/dbraw/zinc/28/03/82/173280382.db2.gz WWJXKUYLLIPBIX-LLVKDONJSA-N 2 0 241.379 0.833 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000336759467 173281959 /nfs/dbraw/zinc/28/19/59/173281959.db2.gz JAOBQZNRAWMQRJ-NSHDSACASA-N 2 0 229.368 0.831 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000341985073 173282553 /nfs/dbraw/zinc/28/25/53/173282553.db2.gz ZRQIJBWIQICNDZ-JFGNBEQYSA-N 2 0 239.363 0.583 20 0 BCADRP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000323043250 173283285 /nfs/dbraw/zinc/28/32/85/173283285.db2.gz OWTHEYWZHQTWOQ-SDDRHHMPSA-N 2 0 239.363 0.727 20 0 BCADRP CNC(=O)[C@@H](C)C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000234359090 173293960 /nfs/dbraw/zinc/29/39/60/173293960.db2.gz CBZLEJXISZYXCO-RYUDHWBXSA-N 2 0 241.379 0.690 20 0 BCADRP CNC(=O)[C@@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000042394238 173298863 /nfs/dbraw/zinc/29/88/63/173298863.db2.gz JYPOVVDNVJMRTK-LBPRGKRZSA-N 2 0 239.363 0.587 20 0 BCADRP CNC(=O)[C@H]1CCCN1C[C@@H]1CCC[NH2+]C1 ZINC000043493581 173307507 /nfs/dbraw/zinc/30/75/07/173307507.db2.gz NTYSISXMQXHZIY-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000037826108 173325387 /nfs/dbraw/zinc/32/53/87/173325387.db2.gz BWVGCZMEDNGQCZ-UHFFFAOYSA-N 2 0 213.325 0.006 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373041221 173325910 /nfs/dbraw/zinc/32/59/10/173325910.db2.gz YPWDEVOXWZPGKF-GFCCVEGCSA-N 2 0 239.363 0.683 20 0 BCADRP C[NH2+]CC(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000373837656 173326157 /nfs/dbraw/zinc/32/61/57/173326157.db2.gz STBZQEAEGRXLEC-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP C[NH2+]CC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000336424103 173326885 /nfs/dbraw/zinc/32/68/85/173326885.db2.gz KNEFJRIEYYGRLS-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370771174 173328164 /nfs/dbraw/zinc/32/81/64/173328164.db2.gz GCUYCUIBEUDIMM-QJPTWQEYSA-N 2 0 237.347 0.149 20 0 BCADRP C[NH2+]CC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370771175 173328216 /nfs/dbraw/zinc/32/82/16/173328216.db2.gz GCUYCUIBEUDIMM-SDDRHHMPSA-N 2 0 237.347 0.149 20 0 BCADRP C[NH2+]CC(=O)NCCC1CC[NH+](C)CC1 ZINC000122177955 173329126 /nfs/dbraw/zinc/32/91/26/173329126.db2.gz JGTYYKHMJLVEHK-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP C[NH2+]CC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000237220699 173329184 /nfs/dbraw/zinc/32/91/84/173329184.db2.gz VZHLJEDDSJIZHV-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH2+]CC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000237221845 173329319 /nfs/dbraw/zinc/32/93/19/173329319.db2.gz HVWULPSBPKVGOL-VXGBXAGGSA-N 2 0 241.379 0.690 20 0 BCADRP C[NH2+]CC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000237220673 173329355 /nfs/dbraw/zinc/32/93/55/173329355.db2.gz VZHLJEDDSJIZHV-LBPRGKRZSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH2+]CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000237266149 173331430 /nfs/dbraw/zinc/33/14/30/173331430.db2.gz CIXIGXCDFBXGHO-SECBINFHSA-N 2 0 215.341 0.298 20 0 BCADRP C[NH2+]CC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000237266606 173331507 /nfs/dbraw/zinc/33/15/07/173331507.db2.gz BGCXGKDJLZAQJE-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+]CC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000237258142 173331545 /nfs/dbraw/zinc/33/15/45/173331545.db2.gz QBPBCUTWMURVGJ-JTQLQIEISA-N 2 0 213.325 0.230 20 0 BCADRP C[NH2+]CC1CC[NH+](CCn2cccn2)CC1 ZINC000051756253 173338561 /nfs/dbraw/zinc/33/85/61/173338561.db2.gz HNGGTCPZQJRXNG-UHFFFAOYSA-N 2 0 222.336 0.815 20 0 BCADRP C[NH2+]CC1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC000063166296 173338633 /nfs/dbraw/zinc/33/86/33/173338633.db2.gz ZYWBXNRDBOBRGI-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000237337622 173338825 /nfs/dbraw/zinc/33/88/25/173338825.db2.gz JIRAXTCFMIAFEC-NSHDSACASA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]CCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000367648138 173339594 /nfs/dbraw/zinc/33/95/94/173339594.db2.gz FQFGZDSYAPQMKD-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCC(=O)NCC1CC[NH+](C)CC1 ZINC000044526606 173339976 /nfs/dbraw/zinc/33/99/76/173339976.db2.gz RSXJTCVAUGRKNE-UHFFFAOYSA-N 2 0 213.325 0.054 20 0 BCADRP C[NH2+]CCC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000043605480 173340758 /nfs/dbraw/zinc/34/07/58/173340758.db2.gz WBEOCDOAXHFLLD-GFCCVEGCSA-N 2 0 241.379 0.834 20 0 BCADRP C[NH2+]CCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000357240790 173341743 /nfs/dbraw/zinc/34/17/43/173341743.db2.gz KGAGLZQTBHDASP-GXSJLCMTSA-N 2 0 225.336 0.195 20 0 BCADRP C[NH2+]CCC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000070189612 173342928 /nfs/dbraw/zinc/34/29/28/173342928.db2.gz RWGVMBDQHHUBRD-UHFFFAOYSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+]CCCC(=O)NCCC[NH+]1CCCCC1 ZINC000037610723 173343659 /nfs/dbraw/zinc/34/36/59/173343659.db2.gz DYIIDNPQMLIZIT-UHFFFAOYSA-N 2 0 241.379 0.978 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000357294267 173344289 /nfs/dbraw/zinc/34/42/89/173344289.db2.gz JCVSDEQRVUDHEF-HOSYDEDBSA-N 2 0 227.352 0.489 20 0 BCADRP C[NH2+]CCCC(=O)NC[C@@H](C)[NH+](C)C ZINC000038089339 173344324 /nfs/dbraw/zinc/34/43/24/173344324.db2.gz VBYCHZWCRAEEBB-SECBINFHSA-N 2 0 201.314 0.052 20 0 BCADRP C[NH2+]CCCC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000237202779 173344840 /nfs/dbraw/zinc/34/48/40/173344840.db2.gz RGKOKHDEAYFLGX-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+]CCCC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000237214972 173345216 /nfs/dbraw/zinc/34/52/16/173345216.db2.gz RGKOKHDEAYFLGX-RYUDHWBXSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+]CCC[NH+]1CCC(CC[NH2+]C)CC1 ZINC000336657412 173347579 /nfs/dbraw/zinc/34/75/79/173347579.db2.gz AYMBTDOZWQZJTO-UHFFFAOYSA-N 3 0 213.369 0.917 20 0 BCADRP C[NH2+]CCCNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000368115586 173348002 /nfs/dbraw/zinc/34/80/02/173348002.db2.gz OPTVBQFJRMHGNG-MNOVXSKESA-N 2 0 227.352 0.346 20 0 BCADRP C[NH2+]CCN(C)C(=O)CC1(C[NH3+])CCCCC1 ZINC000229411191 173351094 /nfs/dbraw/zinc/35/10/94/173351094.db2.gz CEZWDZKKXVWBKQ-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000368127234 173351918 /nfs/dbraw/zinc/35/19/18/173351918.db2.gz WXBHTIXRQCIHOU-QWRGUYRKSA-N 2 0 227.352 0.298 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000237297927 173352059 /nfs/dbraw/zinc/35/20/59/173352059.db2.gz FZMIEFSRRXLJHU-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000069803108 173352066 /nfs/dbraw/zinc/35/20/66/173352066.db2.gz ASQUMYVRPODIAX-NSHDSACASA-N 2 0 221.304 0.364 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000070304846 173352236 /nfs/dbraw/zinc/35/22/36/173352236.db2.gz AYTHJUPXXXNRCW-LBPRGKRZSA-N 2 0 235.331 0.407 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000237147167 173362368 /nfs/dbraw/zinc/36/23/68/173362368.db2.gz IWVRGZNICIPUIU-MNOVXSKESA-N 2 0 229.368 0.674 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000250740510 173367929 /nfs/dbraw/zinc/36/79/29/173367929.db2.gz MQDFOZCJPQZQOS-NWDGAFQWSA-N 2 0 212.337 0.954 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000334149377 173369485 /nfs/dbraw/zinc/36/94/85/173369485.db2.gz GJMXNWCGKYNGQM-AAEUAGOBSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000053033997 173370737 /nfs/dbraw/zinc/37/07/37/173370737.db2.gz OIHOJSJBYBJDDH-RYUDHWBXSA-N 2 0 212.337 0.954 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368184060 173373980 /nfs/dbraw/zinc/37/39/80/173373980.db2.gz ITDOZMBEXUOIET-AXFHLTTASA-N 2 0 225.336 0.052 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368184061 173374041 /nfs/dbraw/zinc/37/40/41/173374041.db2.gz ITDOZMBEXUOIET-DCAQKATOSA-N 2 0 225.336 0.052 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357312924 173374598 /nfs/dbraw/zinc/37/45/98/173374598.db2.gz KKTPVRAMKDQNMB-LMLFDSFASA-N 2 0 227.352 0.345 20 0 BCADRP C[NH2+]C[C@H]1CCCN(CC(=O)NC2CC2)C1 ZINC000040601229 173378417 /nfs/dbraw/zinc/37/84/17/173378417.db2.gz PNOUUBPKALEIJC-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000042361210 173378608 /nfs/dbraw/zinc/37/86/08/173378608.db2.gz MQDFOZCJPQZQOS-NEPJUHHUSA-N 2 0 212.337 0.954 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000049326198 173379186 /nfs/dbraw/zinc/37/91/86/173379186.db2.gz ZMZUEOQFXPYFQX-GFCCVEGCSA-N 2 0 222.336 0.815 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000250740515 173379240 /nfs/dbraw/zinc/37/92/40/173379240.db2.gz MQDFOZCJPQZQOS-VXGBXAGGSA-N 2 0 212.337 0.954 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)NCC1([NH3+])CCC1 ZINC000332030771 173380079 /nfs/dbraw/zinc/38/00/79/173380079.db2.gz OCNZNOAKFVDNHC-SNVBAGLBSA-N 2 0 240.351 0.261 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CCOCCOC)C1 ZINC000053033883 173382109 /nfs/dbraw/zinc/38/21/09/173382109.db2.gz SJXJGOCHLFVLBT-LLVKDONJSA-N 2 0 216.325 0.191 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C[NH3+])C(C)C)C1 ZINC000340641206 173432214 /nfs/dbraw/zinc/43/22/14/173432214.db2.gz CDDMBQGGFYMDJH-MNOVXSKESA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000133356901 173432625 /nfs/dbraw/zinc/43/26/25/173432625.db2.gz HWMLXEOHXXPZQP-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+][C@H](C)CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000357237783 173446711 /nfs/dbraw/zinc/44/67/11/173446711.db2.gz FWEIICJVLYKWSU-NTZNESFSSA-N 2 0 239.363 0.490 20 0 BCADRP COC1(C[NH2+]CCC[NH+](C)C)CCOCC1 ZINC000309612053 174001542 /nfs/dbraw/zinc/00/15/42/174001542.db2.gz BPYRNVJBUBYXOS-UHFFFAOYSA-N 2 0 230.352 0.723 20 0 BCADRP COC1CC[NH+](C[C@H]2CNCCO2)CC1 ZINC000043802203 174028160 /nfs/dbraw/zinc/02/81/60/174028160.db2.gz XERWKMGNHVJFMM-LLVKDONJSA-N 2 0 214.309 0.086 20 0 BCADRP COCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000237189943 174215982 /nfs/dbraw/zinc/21/59/82/174215982.db2.gz QTCLOGKYBBXKNB-NSHDSACASA-N 2 0 245.367 0.054 20 0 BCADRP COCCC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000360252605 174260801 /nfs/dbraw/zinc/26/08/01/174260801.db2.gz WQYXNFFUGPPLTC-CHWSQXEVSA-N 2 0 244.379 0.848 20 0 BCADRP COCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000061380452 174278008 /nfs/dbraw/zinc/27/80/08/174278008.db2.gz GKPHMRRMXPDXCW-SNVBAGLBSA-N 2 0 245.367 0.054 20 0 BCADRP COCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000061380470 174278086 /nfs/dbraw/zinc/27/80/86/174278086.db2.gz YCAMHBSBYNEQIM-NSHDSACASA-N 2 0 245.367 0.054 20 0 BCADRP COCCOCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122324280 174354418 /nfs/dbraw/zinc/35/44/18/174354418.db2.gz VAPYMSDQXMMPJF-WDEREUQCSA-N 2 0 216.325 0.319 20 0 BCADRP COCCOCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000044725565 174355078 /nfs/dbraw/zinc/35/50/78/174355078.db2.gz AIJDHQCDPHCIMZ-MNOVXSKESA-N 2 0 216.325 0.319 20 0 BCADRP C[C@H](CO)CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000228357337 487629397 /nfs/dbraw/zinc/62/93/97/487629397.db2.gz QTPNHHDOFGVPRH-STQMWFEESA-N 2 0 244.379 0.441 20 0 BCADRP C[C@H](C[NH3+])N(C)C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000237297530 175640913 /nfs/dbraw/zinc/64/09/13/175640913.db2.gz WGLHUWXQKPKEGL-WDEREUQCSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]CCCN1CCOCC1 ZINC000310217779 175663147 /nfs/dbraw/zinc/66/31/47/175663147.db2.gz FLBKBXRCRAOHMP-ZDUSSCGKSA-N 2 0 243.395 0.816 20 0 BCADRP C[C@@H](C[NH2+]CC1(C)COC1)C[NH+](C)C ZINC000308586420 175731974 /nfs/dbraw/zinc/73/19/74/175731974.db2.gz SENHISLWPQPIQJ-JTQLQIEISA-N 2 0 200.326 0.810 20 0 BCADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CC1 ZINC000336768680 175868363 /nfs/dbraw/zinc/86/83/63/175868363.db2.gz UVKKNMZZBXHRRO-SNVBAGLBSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@H](CNC(=O)CC[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000237401442 176103322 /nfs/dbraw/zinc/10/33/22/176103322.db2.gz XGTARNGSBHWAEV-GHMZBOCLSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000237401501 176103691 /nfs/dbraw/zinc/10/36/91/176103691.db2.gz GOELIICOPAXDHI-GMTAPVOTSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]1CCN(C(=O)CC2(C[NH3+])CC2)C[C@@H]1C[NH3+] ZINC000332040401 176154519 /nfs/dbraw/zinc/15/45/19/176154519.db2.gz ZKHZUFUJGVNFHW-MNOVXSKESA-N 2 0 239.363 0.559 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000368818782 176185151 /nfs/dbraw/zinc/18/51/51/176185151.db2.gz QNFPUIFZWQCYAA-DCQANWLSSA-N 2 0 237.347 0.100 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000332472011 176186143 /nfs/dbraw/zinc/18/61/43/176186143.db2.gz MOTGRQSKZLUEAK-IEBDPFPHSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]1CC12C[NH2+]C2 ZINC000375967069 176187441 /nfs/dbraw/zinc/18/74/41/176187441.db2.gz AENZHVXVWKOMBJ-DBIOUOCHSA-N 2 0 237.347 0.099 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000357300315 176187581 /nfs/dbraw/zinc/18/75/81/176187581.db2.gz DWQRFHGVAUOZOH-DCQANWLSSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC[NH2+]C1CC1 ZINC000042438670 176222008 /nfs/dbraw/zinc/22/20/08/176222008.db2.gz IIOYNAWEUYFHOI-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H]1CN(C(=O)C2([NH3+])CCCCC2)CC[C@H]1[NH3+] ZINC000336302899 176242677 /nfs/dbraw/zinc/24/26/77/176242677.db2.gz BFTIBPHEIMEZOA-GHMZBOCLSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@@H]1CN(C(=O)C2([NH3+])CCCCC2)CC[NH2+]1 ZINC000237399323 176242949 /nfs/dbraw/zinc/24/29/49/176242949.db2.gz VVXPLRQMJDOBEH-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH3+] ZINC000333948725 176251138 /nfs/dbraw/zinc/25/11/38/176251138.db2.gz WOYYIXBTNDEQIE-GMTAPVOTSA-N 2 0 240.351 0.069 20 0 BCADRP C[C@@H]1CN(C(=O)NC[C@H]2CCC[NH2+]2)[C@H](C)C[NH2+]1 ZINC000333846344 176251608 /nfs/dbraw/zinc/25/16/08/176251608.db2.gz PELPJWOEVWWNQH-GMTAPVOTSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]1CN(C(=O)NC[C@@H]([NH3+])C2CC2)[C@H](C)C[NH2+]1 ZINC000331893671 176251666 /nfs/dbraw/zinc/25/16/66/176251666.db2.gz RJVZYWVANFOEJY-FXPVBKGRSA-N 2 0 240.351 0.116 20 0 BCADRP C[C@@H]1CN(C(=O)N[C@H]2CCC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000333668327 176252629 /nfs/dbraw/zinc/25/26/29/176252629.db2.gz MRBATDPEVOPWOL-MXWKQRLJSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]1C[N@H+](C)CCN1CC[NH+]1CCCOCC1 ZINC000361283403 176266430 /nfs/dbraw/zinc/26/64/30/176266430.db2.gz YOSFEIPGGMPSNC-CYBMUJFWSA-N 2 0 241.379 0.345 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cnccn1 ZINC000341889405 176268788 /nfs/dbraw/zinc/26/87/88/176268788.db2.gz RPKSFMHKWCQLCW-YPMHNXCESA-N 2 0 234.347 0.949 20 0 BCADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1COCCO1 ZINC000309792229 176269246 /nfs/dbraw/zinc/26/92/46/176269246.db2.gz PMYSRILVIDTMFS-UTUOFQBUSA-N 2 0 228.336 0.332 20 0 BCADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000336506044 176271917 /nfs/dbraw/zinc/27/19/17/176271917.db2.gz OZAJKTBKNFUXGS-YPMHNXCESA-N 2 0 225.380 0.868 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1C ZINC000362763385 176272524 /nfs/dbraw/zinc/27/25/24/176272524.db2.gz RLIKKLGFQAFBPZ-WOPDTQHZSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000362375783 176275505 /nfs/dbraw/zinc/27/55/05/176275505.db2.gz MFKXOAYZFLRGRN-VXGBXAGGSA-N 2 0 239.363 0.348 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000341211606 176276086 /nfs/dbraw/zinc/27/60/86/176276086.db2.gz OQRQOELTDFZCQL-ZYHUDNBSSA-N 2 0 239.363 0.395 20 0 BCADRP C[C@@H]1C[N@H+](C)C[C@H]1NC1CC[NH+](C)CC1 ZINC000335605726 176277082 /nfs/dbraw/zinc/27/70/82/176277082.db2.gz GBXZXONWRDBNPX-ZYHUDNBSSA-N 2 0 211.353 0.620 20 0 BCADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCCC[NH+](C)C ZINC000336748663 176277305 /nfs/dbraw/zinc/27/73/05/176277305.db2.gz DLDIBRHFEJELAE-VXGBXAGGSA-N 2 0 213.369 0.868 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCn1cncn1 ZINC000358081094 176278788 /nfs/dbraw/zinc/27/87/88/176278788.db2.gz KNTBZNXPSNHCEC-UTUOFQBUSA-N 2 0 237.351 0.596 20 0 BCADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CC(=O)N(C)C1 ZINC000310184919 176280442 /nfs/dbraw/zinc/28/04/42/176280442.db2.gz YFKZHERDDMVSAV-WISYIIOYSA-N 2 0 239.363 0.535 20 0 BCADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000246546504 176323262 /nfs/dbraw/zinc/32/32/62/176323262.db2.gz QRVWWBVCEYQBPX-UTUOFQBUSA-N 2 0 237.347 0.291 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000124447895 176327040 /nfs/dbraw/zinc/32/70/40/176327040.db2.gz KJAZARIWFMYEHA-SNVBAGLBSA-N 2 0 233.315 0.579 20 0 BCADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000305857000 176344238 /nfs/dbraw/zinc/34/42/38/176344238.db2.gz NAPLAZNDSTXMJH-JHJVBQTASA-N 2 0 242.363 0.458 20 0 BCADRP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000309457669 176355584 /nfs/dbraw/zinc/35/55/84/176355584.db2.gz NZNWMGZEQSUTRU-IJLUTSLNSA-N 2 0 244.404 0.784 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@H]1C[NH3+] ZINC000331470080 176363458 /nfs/dbraw/zinc/36/34/58/176363458.db2.gz VYYFGUJGVNTYOS-NZFPMDFQSA-N 2 0 225.336 0.165 20 0 BCADRP C[C@@H]1C[C@@H]([N@H+](C)CCCO)CCN1C ZINC000123477154 176370400 /nfs/dbraw/zinc/37/04/00/176370400.db2.gz WOXKRASVXSOFKM-MNOVXSKESA-N 2 0 200.326 0.783 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCCC[NH2+]2)CC[NH2+]1 ZINC000370091939 176373622 /nfs/dbraw/zinc/37/36/22/176373622.db2.gz DFAKUMBUICWELY-WOPDTQHZSA-N 2 0 239.363 0.775 20 0 BCADRP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)C[NH+](C)C)CCO1 ZINC000300358612 176376238 /nfs/dbraw/zinc/37/62/38/176376238.db2.gz JBXFIPIRNLQZAK-WOPDTQHZSA-N 2 0 230.352 0.456 20 0 BCADRP C[NH+]1CCC(NC[C@H]2CCCC[NH2+]2)CC1 ZINC000234310182 487633859 /nfs/dbraw/zinc/63/38/59/487633859.db2.gz MMXSPJATNGRLJD-GFCCVEGCSA-N 2 0 211.353 0.812 20 0 BCADRP C[C@@]1(C(=O)NCC[NH+]2CCCCC2)CC[NH2+]C1 ZINC000062901877 176525342 /nfs/dbraw/zinc/52/53/42/176525342.db2.gz FFWBILCNZOEDRO-CYBMUJFWSA-N 2 0 239.363 0.588 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000375912753 176655822 /nfs/dbraw/zinc/65/58/22/176655822.db2.gz QYUFKTBRTSSEFQ-IJLUTSLNSA-N 2 0 239.363 0.666 20 0 BCADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000367647605 176656190 /nfs/dbraw/zinc/65/61/90/176656190.db2.gz BXCQPQJUKNWUEU-GRYCIOLGSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000357241177 176657080 /nfs/dbraw/zinc/65/70/80/176657080.db2.gz MQHMDAOLYRUGDU-OUAUKWLOSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000237401971 176750487 /nfs/dbraw/zinc/75/04/87/176750487.db2.gz PEYBLINOGHQUTJ-AAEUAGOBSA-N 2 0 249.358 0.623 20 0 BCADRP C[C@H]([NH3+])CC(=O)NCCC[NH+]1CCCC1 ZINC000037476118 176755863 /nfs/dbraw/zinc/75/58/63/176755863.db2.gz SLBHHZFFWIVCQW-JTQLQIEISA-N 2 0 213.325 0.326 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000309787001 176757660 /nfs/dbraw/zinc/75/76/60/176757660.db2.gz OIYXQJZKXPUITQ-LPEHRKFASA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000375429977 176769712 /nfs/dbraw/zinc/76/97/12/176769712.db2.gz UVKRUZYTSSVJOJ-XWLWVQCSSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]1CCCCN1C(=O)CN(C)C1CC([NH3+])C1 ZINC000336233507 177072071 /nfs/dbraw/zinc/07/20/71/177072071.db2.gz WBUALQBENCFKQW-UNXYVOJBSA-N 2 0 239.363 0.809 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C[NH3+] ZINC000237496762 177074681 /nfs/dbraw/zinc/07/46/81/177074681.db2.gz GNHRANFWBIRYRK-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)CC[NH3+] ZINC000019267243 177075424 /nfs/dbraw/zinc/07/54/24/177075424.db2.gz CZKVWBXURVWVOT-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP C[C@H]([NH3+])C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040670648 177127794 /nfs/dbraw/zinc/12/77/94/177127794.db2.gz UFAYGOWCKXXSTQ-GMXVVIOVSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]1CCN(C(=O)CC2(C[NH3+])CC2)C[C@H]1C[NH3+] ZINC000332040409 177146298 /nfs/dbraw/zinc/14/62/98/177146298.db2.gz ZKHZUFUJGVNFHW-WDEREUQCSA-N 2 0 239.363 0.559 20 0 BCADRP C[C@H]1CC[N@H+](CCN2CC[NH2+]CC2)[C@H]1C ZINC000335653177 177159699 /nfs/dbraw/zinc/15/96/99/177159699.db2.gz WCIRDCCNTNBJFF-RYUDHWBXSA-N 2 0 211.353 0.622 20 0 BCADRP C[C@H]1CC[N@H+](CCc2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000230775664 177161862 /nfs/dbraw/zinc/16/18/62/177161862.db2.gz HUYRFCGXIDPIQF-AAEUAGOBSA-N 2 0 236.363 0.879 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000367289943 177174680 /nfs/dbraw/zinc/17/46/80/177174680.db2.gz DSDDBRVTALCBFG-QCNOEVLYSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000186847701 177174856 /nfs/dbraw/zinc/17/48/56/177174856.db2.gz FSHQGAKNPAZWMR-JQWIXIFHSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000043497697 177181955 /nfs/dbraw/zinc/18/19/55/177181955.db2.gz ZEIRHQIIQLMJJI-CMPLNLGQSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1CN(C(=O)CC2(C[NH3+])CC2)C[C@H](C)[NH2+]1 ZINC000335567489 177214081 /nfs/dbraw/zinc/21/40/81/177214081.db2.gz YGMBDWXQKDCAQO-UWVGGRQHSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1CN(C(=O)C2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000083354159 177214266 /nfs/dbraw/zinc/21/42/66/177214266.db2.gz TWCLZGCIMOJPOS-UWVGGRQHSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]1CN(C(=O)NCC[N@H+](C)C2CC2)C[C@H]1[NH3+] ZINC000331438160 177220591 /nfs/dbraw/zinc/22/05/91/177220591.db2.gz GXIUZIMBLAXANQ-GXSJLCMTSA-N 2 0 240.351 0.069 20 0 BCADRP C[C@H]1CN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000333668324 177220687 /nfs/dbraw/zinc/22/06/87/177220687.db2.gz MRBATDPEVOPWOL-GARJFASQSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@H]1CN(C(=O)N[C@H]2CCC[NH2+][C@H]2C)CC[NH2+]1 ZINC000333498279 177221431 /nfs/dbraw/zinc/22/14/31/177221431.db2.gz FBRKREDIHAGJSP-DCAQKATOSA-N 2 0 240.351 0.130 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000249144588 177223910 /nfs/dbraw/zinc/22/39/10/177223910.db2.gz ZUAKTDBHRSDKKI-UTINFBMNSA-N 2 0 213.325 0.179 20 0 BCADRP C[C@H]1CN(C(=O)c2coc(C[NH3+])c2)[C@@H](C)C[NH2+]1 ZINC000334147191 177231555 /nfs/dbraw/zinc/23/15/55/177231555.db2.gz SWNGSNIOBITDIR-IUCAKERBSA-N 2 0 237.303 0.561 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000341454406 177237319 /nfs/dbraw/zinc/23/73/19/177237319.db2.gz MVUQLVSUUUOUAV-WDEREUQCSA-N 2 0 241.379 0.641 20 0 BCADRP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000037482588 177250467 /nfs/dbraw/zinc/25/04/67/177250467.db2.gz RPMDZAIXHXCYIB-NEPJUHHUSA-N 2 0 227.352 0.001 20 0 BCADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000094459698 177280178 /nfs/dbraw/zinc/28/01/78/177280178.db2.gz SSHLECNLALBECW-TUAOUCFPSA-N 2 0 237.347 0.434 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000377564338 177284769 /nfs/dbraw/zinc/28/47/69/177284769.db2.gz NRZYBENBYQHOFT-IRCOFANPSA-N 2 0 239.363 0.489 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CCCC2)CC[NH2+]1 ZINC000235689636 177308390 /nfs/dbraw/zinc/30/83/90/177308390.db2.gz AHABYOOPBBPHMU-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000131722658 177325148 /nfs/dbraw/zinc/32/51/48/177325148.db2.gz DXISTHWBVWGFHC-JQWIXIFHSA-N 2 0 247.342 0.955 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH3+])C[N@@H+]1C1CC1 ZINC000237539643 177328721 /nfs/dbraw/zinc/32/87/21/177328721.db2.gz DHBLBGZYCREHLC-DTWKUNHWSA-N 2 0 225.336 0.465 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)C2([NH3+])CC2)C[N@@H+]1C1CC1 ZINC000237529628 177328851 /nfs/dbraw/zinc/32/88/51/177328851.db2.gz WHZSDBVROJKIBV-DTWKUNHWSA-N 2 0 223.320 0.219 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000237533229 177329733 /nfs/dbraw/zinc/32/97/33/177329733.db2.gz FKNVQCUKBXYISZ-HBNTYKKESA-N 2 0 237.347 0.337 20 0 BCADRP C[C@H](C[NH3+])C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000357240657 177329835 /nfs/dbraw/zinc/32/98/35/177329835.db2.gz JTDHONXKKJOJJS-KXUCPTDWSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000132935974 177329905 /nfs/dbraw/zinc/32/99/05/177329905.db2.gz OKLPOLJOSDOFNG-SRVKXCTJSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CC[NH3+])C1 ZINC000237581935 177359194 /nfs/dbraw/zinc/35/91/94/177359194.db2.gz HYARGWQAQNKOSB-RYUDHWBXSA-N 2 0 241.379 0.819 20 0 BCADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000131744779 177361619 /nfs/dbraw/zinc/36/16/19/177361619.db2.gz YEHVNTFGBDBODS-CMPLNLGQSA-N 2 0 247.342 0.955 20 0 BCADRP C[C@H]1C[C@H](NC(=O)C2([NH3+])CC2)CC[N@@H+]1C ZINC000132918166 177367060 /nfs/dbraw/zinc/36/70/60/177367060.db2.gz TYCFHPUPRDKBDP-DTWKUNHWSA-N 2 0 211.309 0.077 20 0 BCADRP C[C@H]1C[C@H](NC(=O)N(C)CC[NH3+])C[N@@H+]1C1CC1 ZINC000331747659 177367201 /nfs/dbraw/zinc/36/72/01/177367201.db2.gz DVTVZQKHCJHVFT-UWVGGRQHSA-N 2 0 240.351 0.212 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000377565323 177395806 /nfs/dbraw/zinc/39/58/06/177395806.db2.gz RYJLOFNCVMQKGF-IJLUTSLNSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000367385743 177396172 /nfs/dbraw/zinc/39/61/72/177396172.db2.gz KZMQOZGMBASDDG-KXNHARMFSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@]1(C(=O)NCC[NH+]2CCCCC2)CC[NH2+]C1 ZINC000062901875 177455092 /nfs/dbraw/zinc/45/50/92/177455092.db2.gz FFWBILCNZOEDRO-ZDUSSCGKSA-N 2 0 239.363 0.588 20 0 BCADRP C[NH2+]CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322375100 487643264 /nfs/dbraw/zinc/64/32/64/487643264.db2.gz FSBTWDLEKANTDW-FGWVZKOKSA-N 2 0 225.336 0.337 20 0 BCADRP CN(C(=O)C=Cc1c[nH]cn1)[C@@H]1CCC[N@H+](C)C1 ZINC000493341148 226189981 /nfs/dbraw/zinc/18/99/81/226189981.db2.gz UVJHTUPRUJUCHX-FOQNGQEVSA-N 2 0 248.330 0.976 20 0 BCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)/C=C\C[NH+](C)C ZINC000493172125 226145144 /nfs/dbraw/zinc/14/51/44/226145144.db2.gz PGNQEPCXNJJDIQ-XYLWRLHESA-N 2 0 239.363 0.657 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000493897159 226258782 /nfs/dbraw/zinc/25/87/82/226258782.db2.gz LZGLAXVLZSQYIF-SRVKXCTJSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000493900429 226258891 /nfs/dbraw/zinc/25/88/91/226258891.db2.gz LYTXZHCGHVXMCU-FYLLDIAZSA-N 2 0 239.363 0.569 20 0 BCADRP C[C@@](C[NH3+])(NC(=O)CC[C@H]1CCC[NH2+]1)C1CC1 ZINC000494563766 226266430 /nfs/dbraw/zinc/26/64/30/226266430.db2.gz IONJSMJHOGBRNA-YPMHNXCESA-N 2 0 239.363 0.762 20 0 BCADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494670662 226267743 /nfs/dbraw/zinc/26/77/43/226267743.db2.gz GIBODCMHAQYMQM-OUAUKWLOSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H](NC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH2+]1 ZINC000400483735 226344582 /nfs/dbraw/zinc/34/45/82/226344582.db2.gz CSTRFOWYWHOWTK-SRVKXCTJSA-N 2 0 211.353 0.811 20 0 BCADRP C[C@H](NC[C@H]1CCC[N@@H+]1C)[C@H]1CCC[NH2+]1 ZINC000400483728 226344725 /nfs/dbraw/zinc/34/47/25/226344725.db2.gz CSTRFOWYWHOWTK-QJPTWQEYSA-N 2 0 211.353 0.811 20 0 BCADRP C[C@H](NC[C@@H]1CCC[N@@H+]1C)[C@H]1CCC[NH2+]1 ZINC000400483732 226344786 /nfs/dbraw/zinc/34/47/86/226344786.db2.gz CSTRFOWYWHOWTK-SDDRHHMPSA-N 2 0 211.353 0.811 20 0 BCADRP C[C@@]1(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)CCC[NH2+]C1 ZINC000557189623 322935139 /nfs/dbraw/zinc/93/51/39/322935139.db2.gz QQYKHDTXCUXOAC-RTXFEEFZSA-N 2 0 237.347 0.244 20 0 BCADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](C)[NH3+] ZINC000669588059 487653895 /nfs/dbraw/zinc/65/38/95/487653895.db2.gz BUSCXLNTDSWUSB-MNOVXSKESA-N 2 0 244.383 0.753 20 0 BCADRP C[C@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000226084629 487655910 /nfs/dbraw/zinc/65/59/10/487655910.db2.gz DWKWFORBWOYJLU-SRVKXCTJSA-N 2 0 239.363 0.585 20 0 BCADRP Cn1cncc1CCC[NH+]1CCC([NH3+])CC1 ZINC000314003352 487657756 /nfs/dbraw/zinc/65/77/56/487657756.db2.gz MJRUGHPKGXALQZ-UHFFFAOYSA-N 2 0 222.336 0.776 20 0 BCADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CC)[C@H](C)C1 ZINC000383659661 487658665 /nfs/dbraw/zinc/65/86/65/487658665.db2.gz LGCKMWIHJLINDI-OLZOCXBDSA-N 2 0 243.395 0.325 20 0 BCADRP C[NH2+]CCCN(C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000087471668 487659304 /nfs/dbraw/zinc/65/93/04/487659304.db2.gz USBGZIQWFDPMDC-SNVBAGLBSA-N 2 0 213.325 0.196 20 0 BCADRP CCC[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)OC ZINC000393464994 487662029 /nfs/dbraw/zinc/66/20/29/487662029.db2.gz LILSHGGBAAHTPC-STQMWFEESA-N 2 0 244.379 0.848 20 0 BCADRP CCC[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)OC ZINC000393464991 487662085 /nfs/dbraw/zinc/66/20/85/487662085.db2.gz LILSHGGBAAHTPC-QWHCGFSZSA-N 2 0 244.379 0.848 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662593997 487663543 /nfs/dbraw/zinc/66/35/43/487663543.db2.gz QJRIWXTZCYNMNQ-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662595260 487665823 /nfs/dbraw/zinc/66/58/23/487665823.db2.gz ZFTHYVAMAPJXOR-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP C[NH2+]CC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662596148 487665868 /nfs/dbraw/zinc/66/58/68/487665868.db2.gz YYDGSMZKDZHVNQ-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)C(C)(C)O ZINC000383732788 487669092 /nfs/dbraw/zinc/66/90/92/487669092.db2.gz HGOUQXSECQHFLA-LLVKDONJSA-N 2 0 246.395 0.827 20 0 BCADRP OC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000308830549 229251000 /nfs/dbraw/zinc/25/10/00/229251000.db2.gz UDEWBRRONOLBAI-QJPTWQEYSA-N 2 0 212.337 0.737 20 0 BCADRP C[C@@H](C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+](C)C ZINC000675147479 487672531 /nfs/dbraw/zinc/67/25/31/487672531.db2.gz SKSUMVOXBFYTAB-JFGNBEQYSA-N 2 0 239.363 0.535 20 0 BCADRP C[C@@H](O)CC[N@H+](C)CCC[NH+](C)CC[C@H](C)O ZINC000173570345 229355263 /nfs/dbraw/zinc/35/52/63/229355263.db2.gz FMPLZUMPHKORBX-BETUJISGSA-N 2 0 246.395 0.782 20 0 BCADRP C[C@@H](O)CC[NH+](C)CCC[N@@H+](C)CC[C@@H](C)O ZINC000173570358 229355467 /nfs/dbraw/zinc/35/54/67/229355467.db2.gz FMPLZUMPHKORBX-CHWSQXEVSA-N 2 0 246.395 0.782 20 0 BCADRP O=C(CCC1CC[NH2+]CC1)NCC[NH2+]C1CC1 ZINC000154520738 487673203 /nfs/dbraw/zinc/67/32/03/487673203.db2.gz KBNDYADYTWZXLM-UHFFFAOYSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000186781163 487675265 /nfs/dbraw/zinc/67/52/65/487675265.db2.gz YFIQDZNLTOCVQN-CHWFTXMASA-N 2 0 225.336 0.228 20 0 BCADRP O[C@@H](C[NH2+]C[C@@H]1CCCS1)C[NH+]1CCCC1 ZINC000087668890 487677192 /nfs/dbraw/zinc/67/71/92/487677192.db2.gz XGPHQUFGAHYQST-RYUDHWBXSA-N 2 0 244.404 0.928 20 0 BCADRP O[C@H](C[NH2+]C[C@H]1CCCS1)C[NH+]1CCCC1 ZINC000087668891 487677285 /nfs/dbraw/zinc/67/72/85/487677285.db2.gz XGPHQUFGAHYQST-VXGBXAGGSA-N 2 0 244.404 0.928 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000151328564 487695717 /nfs/dbraw/zinc/69/57/17/487695717.db2.gz CXHYQWXNDGVJRL-VIFPVBQESA-N 2 0 201.314 0.086 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000082645534 487703470 /nfs/dbraw/zinc/70/34/70/487703470.db2.gz LZDDNILQISKDIQ-DCAQKATOSA-N 2 0 227.352 0.522 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[NH2+]CC2)C1 ZINC000669403041 487705276 /nfs/dbraw/zinc/70/52/76/487705276.db2.gz GKNBQMKDHWVHMD-LLVKDONJSA-N 2 0 240.351 0.086 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000669403072 487705643 /nfs/dbraw/zinc/70/56/43/487705643.db2.gz HPMRYAWBMJUJGO-MNOVXSKESA-N 2 0 242.367 0.378 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000669403309 487706817 /nfs/dbraw/zinc/70/68/17/487706817.db2.gz UPOFZCNKTCEBGZ-AXFHLTTASA-N 2 0 240.351 0.212 20 0 BCADRP C[C@@H]1C[C@H]1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000082648645 487706793 /nfs/dbraw/zinc/70/67/93/487706793.db2.gz RZUIDTGTQHONDC-NEPJUHHUSA-N 2 0 211.353 0.479 20 0 BCADRP C[C@H]1C[C@@H]1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000082648644 487707267 /nfs/dbraw/zinc/70/72/67/487707267.db2.gz RZUIDTGTQHONDC-NWDGAFQWSA-N 2 0 211.353 0.479 20 0 BCADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC000082653087 487707917 /nfs/dbraw/zinc/70/79/17/487707917.db2.gz UBNZQUYOLSZFDY-SNVBAGLBSA-N 2 0 233.315 0.752 20 0 BCADRP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCCNC(=O)C1 ZINC000082667498 487713176 /nfs/dbraw/zinc/71/31/76/487713176.db2.gz CMOOOBWTAWNNDN-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000082667496 487712877 /nfs/dbraw/zinc/71/28/77/487712877.db2.gz CMOOOBWTAWNNDN-WDEREUQCSA-N 2 0 227.352 0.585 20 0 BCADRP CC[NH+](CC)CCNC(=O)[C@H](C)[NH+](C)C ZINC000674244965 487718731 /nfs/dbraw/zinc/71/87/31/487718731.db2.gz VFUMDCTUMFMTSN-JTQLQIEISA-N 2 0 215.341 0.395 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662824993 487722970 /nfs/dbraw/zinc/72/29/70/487722970.db2.gz XLKBFRNUQSQUNK-ZJUUUORDSA-N 2 0 239.363 0.903 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662824992 487722785 /nfs/dbraw/zinc/72/27/85/487722785.db2.gz XLKBFRNUQSQUNK-VHSXEESVSA-N 2 0 239.363 0.903 20 0 BCADRP COCC(C)(C)C[NH2+]CCOCC[NH+](C)C ZINC000309949133 487731132 /nfs/dbraw/zinc/73/11/32/487731132.db2.gz FJKWDHUSUKTOLQ-UHFFFAOYSA-N 2 0 232.368 0.827 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)CC(C)(C)[NH3+] ZINC000082772348 487731363 /nfs/dbraw/zinc/73/13/63/487731363.db2.gz LFJPBQDTXXWCAD-VIFPVBQESA-N 2 0 215.341 0.570 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000155000231 487731949 /nfs/dbraw/zinc/73/19/49/487731949.db2.gz RAPJGLQMLDMTEY-NXEZZACHSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@@H](CNC(=O)CC1([NH3+])CCC1)[N@H+](C)C1CC1 ZINC000226399550 487734953 /nfs/dbraw/zinc/73/49/53/487734953.db2.gz ZHBITDNEGQYLFR-JTQLQIEISA-N 2 0 239.363 0.857 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000250581049 487735321 /nfs/dbraw/zinc/73/53/21/487735321.db2.gz FZSMXPNFUIHNHQ-MNOVXSKESA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000250667787 487738474 /nfs/dbraw/zinc/73/84/74/487738474.db2.gz SMTAXUYYPZLQFP-ZMLRMANQSA-N 2 0 237.347 0.467 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559751 487739503 /nfs/dbraw/zinc/73/95/03/487739503.db2.gz SWSTWIVJKBJDHY-JTQLQIEISA-N 2 0 215.341 0.441 20 0 BCADRP CC(=O)NCC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000226437087 487745576 /nfs/dbraw/zinc/74/55/76/487745576.db2.gz KGXCWWPMQORPAS-CYBMUJFWSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000251027426 487746580 /nfs/dbraw/zinc/74/65/80/487746580.db2.gz GWPAPZQOZQQWGC-GARJFASQSA-N 2 0 212.337 0.830 20 0 BCADRP OCCC[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226438343 487746978 /nfs/dbraw/zinc/74/69/78/487746978.db2.gz VMPRFNNERROOSI-LLVKDONJSA-N 2 0 212.337 0.833 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000662965753 487774749 /nfs/dbraw/zinc/77/47/49/487774749.db2.gz NEPRDUFPRDXPLS-NEPJUHHUSA-N 2 0 241.379 0.975 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000662965754 487774762 /nfs/dbraw/zinc/77/47/62/487774762.db2.gz NEPRDUFPRDXPLS-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP [NH3+]C[C@@H](NC(=O)NCC1([NH3+])CCCC1)C1CC1 ZINC000659519399 487776851 /nfs/dbraw/zinc/77/68/51/487776851.db2.gz RFEUFYGITFUQSW-SNVBAGLBSA-N 2 0 240.351 0.294 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000364778105 487778794 /nfs/dbraw/zinc/77/87/94/487778794.db2.gz DMGQOKDLUSJXMU-MMWGEVLESA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322407112 487797412 /nfs/dbraw/zinc/79/74/12/487797412.db2.gz XNANXFWVIWPALU-YEJSDXFRSA-N 2 0 239.363 0.855 20 0 BCADRP CC(=O)NCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000394821973 487809260 /nfs/dbraw/zinc/80/92/60/487809260.db2.gz UOLDORFCXIABNG-GHMZBOCLSA-N 2 0 213.325 0.372 20 0 BCADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC(=O)N2)CC[N@@H+]1C ZINC000156106517 487814804 /nfs/dbraw/zinc/81/48/04/487814804.db2.gz ZHYBRKKYFWNATC-AXFHLTTASA-N 2 0 225.336 0.337 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](COC)OC)C1 ZINC000234404105 487818439 /nfs/dbraw/zinc/81/84/39/487818439.db2.gz PUDUUIKLSKSJSW-QWRGUYRKSA-N 2 0 216.325 0.189 20 0 BCADRP C[C@@H]1C[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000252187244 487820957 /nfs/dbraw/zinc/82/09/57/487820957.db2.gz ULZJNONDWMYKID-NOOOWODRSA-N 2 0 210.321 0.705 20 0 BCADRP OCCCCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000229125402 487822916 /nfs/dbraw/zinc/82/29/16/487822916.db2.gz FVSMVCVLGQUVCH-LBPRGKRZSA-N 2 0 230.352 0.195 20 0 BCADRP Cn1cc(CN[C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)nn1 ZINC000671760117 487828783 /nfs/dbraw/zinc/82/87/83/487828783.db2.gz DXAZLPHWOMWLSP-RWMBFGLXSA-N 2 0 249.362 0.778 20 0 BCADRP [NH3+]C[C@H]1CCCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000647708421 487829406 /nfs/dbraw/zinc/82/94/06/487829406.db2.gz LKUNPAMZLFFILK-HTQZYQBOSA-N 2 0 235.278 0.309 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000569338158 322946185 /nfs/dbraw/zinc/94/61/85/322946185.db2.gz DQAHATUGPHAFKC-SNVBAGLBSA-N 2 0 227.352 0.381 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000390771418 487839636 /nfs/dbraw/zinc/83/96/36/487839636.db2.gz WINNLCPGBVQJHJ-NEPJUHHUSA-N 2 0 211.353 0.527 20 0 BCADRP C[NH+](C)CCNC(=O)c1ccc(C[NH3+])o1 ZINC000011628009 487842770 /nfs/dbraw/zinc/84/27/70/487842770.db2.gz MZODMIKDPVKJHQ-UHFFFAOYSA-N 2 0 211.265 0.030 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000089747555 487851835 /nfs/dbraw/zinc/85/18/35/487851835.db2.gz VHIRDNWHPIRYBV-LBPRGKRZSA-N 2 0 241.379 0.786 20 0 BCADRP CCCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594873979 487852592 /nfs/dbraw/zinc/85/25/92/487852592.db2.gz YIERJSQPLOCCGB-UWVGGRQHSA-N 2 0 211.309 0.030 20 0 BCADRP CC(C)([NH3+])CCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000648121883 487855366 /nfs/dbraw/zinc/85/53/66/487855366.db2.gz SMYUKXGPBXFMPQ-VHSXEESVSA-N 2 0 227.352 0.890 20 0 BCADRP C[C@H](O)C[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000666689567 487861012 /nfs/dbraw/zinc/86/10/12/487861012.db2.gz HVIOGSGDSQDNIZ-GARJFASQSA-N 2 0 200.326 0.687 20 0 BCADRP COC[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)OC ZINC000234703188 487861657 /nfs/dbraw/zinc/86/16/57/487861657.db2.gz PHBZDRPOYORTHL-GARJFASQSA-N 2 0 216.325 0.317 20 0 BCADRP CC(C)C[C@@H]([NH3+])CN1CC[C@H](n2cncn2)C1 ZINC000666697383 487861733 /nfs/dbraw/zinc/86/17/33/487861733.db2.gz ZCOBGVOJZRYOGY-NEPJUHHUSA-N 2 0 237.351 0.898 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000309369713 487875821 /nfs/dbraw/zinc/87/58/21/487875821.db2.gz BVODFYZXSRUENM-BBBLOLIVSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000564955948 322979878 /nfs/dbraw/zinc/97/98/78/322979878.db2.gz CXALTHLZFISFQA-NAKRPEOUSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652220531 487884560 /nfs/dbraw/zinc/88/45/60/487884560.db2.gz CLCQNTROEJFYHY-BDAKNGLRSA-N 2 0 228.340 0.150 20 0 BCADRP [NH3+]C/C=C\CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000652219894 487884419 /nfs/dbraw/zinc/88/44/19/487884419.db2.gz ORSVCTKRVOVHCH-UPHRSURJSA-N 2 0 240.351 0.272 20 0 BCADRP Cc1ccc(CNC(C[NH3+])C[NH3+])c(Cl)n1 ZINC000923359222 644374363 /nfs/dbraw/zinc/37/43/63/644374363.db2.gz OCMQFXBKJYPIFR-UHFFFAOYSA-N 2 0 228.727 0.419 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000309496387 487888220 /nfs/dbraw/zinc/88/82/20/487888220.db2.gz UASWDYVWUCNTMP-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000111825751 487892095 /nfs/dbraw/zinc/89/20/95/487892095.db2.gz OPKNAKVJRNXKJA-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC/C=C\C[NH3+] ZINC000669451471 487896272 /nfs/dbraw/zinc/89/62/72/487896272.db2.gz KXBMTGNGWLKLOI-GZTOBOFZSA-N 2 0 242.367 0.531 20 0 BCADRP CCN1CCC[C@@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000083362611 487903633 /nfs/dbraw/zinc/90/36/33/487903633.db2.gz CJUZGEBKOVUMKM-GFCCVEGCSA-N 2 0 235.331 0.949 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000226746692 487906362 /nfs/dbraw/zinc/90/63/62/487906362.db2.gz JJASWJRYSCMDFX-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP CC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000020524040 487920159 /nfs/dbraw/zinc/92/01/59/487920159.db2.gz IFLFSRLSJVVZIM-YEJSDXFRSA-N 2 0 212.337 0.972 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157782391 487921102 /nfs/dbraw/zinc/92/11/02/487921102.db2.gz SODDOZGTULRSPL-GARJFASQSA-N 2 0 225.336 0.337 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000194871169 487921917 /nfs/dbraw/zinc/92/19/17/487921917.db2.gz HRUKCZFDLUWMPE-SKDRFNHKSA-N 2 0 233.315 0.164 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000417283130 487922777 /nfs/dbraw/zinc/92/27/77/487922777.db2.gz CCMQTAXGPULSBK-AXFHLTTASA-N 2 0 244.383 0.752 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)N(C)CC[NH3+] ZINC000417282852 487923048 /nfs/dbraw/zinc/92/30/48/487923048.db2.gz BNMCCRJIKLHFRE-JTQLQIEISA-N 2 0 230.356 0.317 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N(C)CC[NH3+] ZINC000417282853 487923074 /nfs/dbraw/zinc/92/30/74/487923074.db2.gz BNMCCRJIKLHFRE-SNVBAGLBSA-N 2 0 230.356 0.317 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[NH2+]CC1 ZINC000417304436 487923588 /nfs/dbraw/zinc/92/35/88/487923588.db2.gz UIRVJFQSXSDILZ-LLVKDONJSA-N 2 0 242.367 0.332 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCCC[NH3+] ZINC000417297691 487923664 /nfs/dbraw/zinc/92/36/64/487923664.db2.gz JFHBADQYPGCMGE-SNVBAGLBSA-N 2 0 230.356 0.365 20 0 BCADRP COCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652361400 487931961 /nfs/dbraw/zinc/93/19/61/487931961.db2.gz GNSAYYXQMDCZTH-UPJWGTAASA-N 2 0 242.363 0.994 20 0 BCADRP FC1(F)C[C@@]12CC[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000652364512 487934032 /nfs/dbraw/zinc/93/40/32/487934032.db2.gz WGLILBUMTNGNQK-LLVKDONJSA-N 2 0 245.317 0.623 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)C[NH2+]CC1CC1 ZINC000154050464 487936416 /nfs/dbraw/zinc/93/64/16/487936416.db2.gz NIEZLMPOZZNGCV-ONGXEEELSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H](NC(=O)C[NH+](C)C)C1CC[NH+](C)CC1 ZINC000682361004 487936648 /nfs/dbraw/zinc/93/66/48/487936648.db2.gz DMHNFEKBCHSURI-SNVBAGLBSA-N 2 0 227.352 0.395 20 0 BCADRP CC(C)([NH3+])CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185026064 487938358 /nfs/dbraw/zinc/93/83/58/487938358.db2.gz XIAKMJBWAAIRED-IVZWLZJFSA-N 2 0 225.336 0.310 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000659556377 487939313 /nfs/dbraw/zinc/93/93/13/487939313.db2.gz RYNZYAZHFJBAQV-HLTSFMKQSA-N 2 0 216.329 0.019 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659556369 487939353 /nfs/dbraw/zinc/93/93/53/487939353.db2.gz RWHALNAKXNFBFC-ZYUZMQFOSA-N 2 0 246.330 0.193 20 0 BCADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000659556376 487939395 /nfs/dbraw/zinc/93/93/95/487939395.db2.gz RYNZYAZHFJBAQV-CIUDSAMLSA-N 2 0 216.329 0.019 20 0 BCADRP CC(C)CC[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298748 487948846 /nfs/dbraw/zinc/94/88/46/487948846.db2.gz LTKFKXZUYPJRGX-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188754371 487949808 /nfs/dbraw/zinc/94/98/08/487949808.db2.gz UHEPEMQBTGNLRQ-GARJFASQSA-N 2 0 243.326 0.239 20 0 BCADRP CC[C@@](C)(C[NH3+])c1nc(C[C@H](C)[NH2+]C)no1 ZINC000569361475 322964314 /nfs/dbraw/zinc/96/43/14/322964314.db2.gz BRWWWUSJBMJUFM-KWQFWETISA-N 2 0 226.324 0.846 20 0 BCADRP [NH3+]C1(CNC(=O)CC[NH2+]C2CC2)CCC1 ZINC000569504065 322968476 /nfs/dbraw/zinc/96/84/76/322968476.db2.gz TWWMBGXJBAWATJ-UHFFFAOYSA-N 2 0 211.309 0.126 20 0 BCADRP C[C@@]1(C(=O)N[C@@H](CC[NH3+])C(F)F)CCC[NH2+]C1 ZINC000569577147 322971161 /nfs/dbraw/zinc/97/11/61/322971161.db2.gz NLZBPIVHIDTZES-GZMMTYOYSA-N 2 0 249.305 0.475 20 0 BCADRP C[C@@]1(C(=O)N[C@H](CC[NH3+])C(F)F)CCC[NH2+]C1 ZINC000569577150 322971178 /nfs/dbraw/zinc/97/11/78/322971178.db2.gz NLZBPIVHIDTZES-LDYMZIIASA-N 2 0 249.305 0.475 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000564947721 322976900 /nfs/dbraw/zinc/97/69/00/322976900.db2.gz QHRZTUQFWWTCJK-SNVBAGLBSA-N 2 0 225.336 0.313 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000566253064 322980047 /nfs/dbraw/zinc/98/00/47/322980047.db2.gz YGLIDZXBQLIJKX-MXWKQRLJSA-N 2 0 225.336 0.385 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)CCC1CC[NH2+]CC1 ZINC000564958380 322981357 /nfs/dbraw/zinc/98/13/57/322981357.db2.gz KXIGZZFCBPIVBF-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449606285 323000705 /nfs/dbraw/zinc/00/07/05/323000705.db2.gz YEIRQCOGTXOHRF-RKDXNWHRSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[C@H]1[NH3+] ZINC000564726334 323010181 /nfs/dbraw/zinc/01/01/81/323010181.db2.gz PHMPWIKVZVLSBB-ZWNOBZJWSA-N 2 0 247.342 0.955 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000562808899 323031058 /nfs/dbraw/zinc/03/10/58/323031058.db2.gz WLNBWYRPWKKGAL-NXEZZACHSA-N 2 0 225.336 0.195 20 0 BCADRP CC(C)[NH2+]CCC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000562809313 323031103 /nfs/dbraw/zinc/03/11/03/323031103.db2.gz MZXHFTUHYYJKHN-QWRGUYRKSA-N 2 0 227.352 0.489 20 0 BCADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000562957192 323035164 /nfs/dbraw/zinc/03/51/64/323035164.db2.gz VTIXXRFLUBCHGS-JQWIXIFHSA-N 3 0 211.353 0.716 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC000569728522 323039180 /nfs/dbraw/zinc/03/91/80/323039180.db2.gz OFTUJCYZDXTCJE-NEPJUHHUSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000572603517 323039653 /nfs/dbraw/zinc/03/96/53/323039653.db2.gz IFPXEUXCMDAXNC-GXSJLCMTSA-N 2 0 248.330 0.573 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000569821203 323041746 /nfs/dbraw/zinc/04/17/46/323041746.db2.gz ZOJHQAJABYIWMO-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000569843663 323042675 /nfs/dbraw/zinc/04/26/75/323042675.db2.gz KRJFCKNXOVCPLN-GXSJLCMTSA-N 2 0 221.304 0.540 20 0 BCADRP C[C@]1(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000570037311 323047818 /nfs/dbraw/zinc/04/78/18/323047818.db2.gz QQMGZRZHEIGRQI-AAEUAGOBSA-N 2 0 239.363 0.634 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000570042891 323048238 /nfs/dbraw/zinc/04/82/38/323048238.db2.gz ZEXMNBSLQJBFDP-MDZLAQPJSA-N 2 0 247.342 0.882 20 0 BCADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]([NH3+])c1ccccc1 ZINC000570042893 323048259 /nfs/dbraw/zinc/04/82/59/323048259.db2.gz ZEXMNBSLQJBFDP-NQBHXWOUSA-N 2 0 247.342 0.882 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000570089720 323049447 /nfs/dbraw/zinc/04/94/47/323049447.db2.gz WRMMHKMDZYZVHM-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000570165795 323051641 /nfs/dbraw/zinc/05/16/41/323051641.db2.gz CVBOTGPIEDJAPQ-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@H](CNC(=O)CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000570278566 323054811 /nfs/dbraw/zinc/05/48/11/323054811.db2.gz DHHSGVXNJJXXAE-GXSJLCMTSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C1CCCC1 ZINC000570320872 323055998 /nfs/dbraw/zinc/05/59/98/323055998.db2.gz HPRATONIPKNREC-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000570334710 323056266 /nfs/dbraw/zinc/05/62/66/323056266.db2.gz WROYSJMTZCYKNE-LOWVWBTDSA-N 2 0 249.358 0.971 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000570334707 323056362 /nfs/dbraw/zinc/05/63/62/323056362.db2.gz WROYSJMTZCYKNE-GMXVVIOVSA-N 2 0 249.358 0.971 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000570330260 323056457 /nfs/dbraw/zinc/05/64/57/323056457.db2.gz VAQRXCIZBWMTJR-UKKRHICBSA-N 2 0 242.367 0.491 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000570395298 323057932 /nfs/dbraw/zinc/05/79/32/323057932.db2.gz JNXNLYJCVRPNBW-HBNTYKKESA-N 2 0 244.383 0.752 20 0 BCADRP O=C(C[NH2+]C1CC1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000570398221 323058432 /nfs/dbraw/zinc/05/84/32/323058432.db2.gz TVSWOWVLBIWXMX-NSHDSACASA-N 2 0 223.320 0.091 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000570448565 323059814 /nfs/dbraw/zinc/05/98/14/323059814.db2.gz JSLZGHUBMYTUJT-AXFHLTTASA-N 2 0 237.347 0.195 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000570448566 323059830 /nfs/dbraw/zinc/05/98/30/323059830.db2.gz JSLZGHUBMYTUJT-DCAQKATOSA-N 2 0 237.347 0.195 20 0 BCADRP C[C@]1(CN[C@@H](CC[NH3+])C(F)F)CC[NH2+]C1 ZINC000570450463 323059949 /nfs/dbraw/zinc/05/99/49/323059949.db2.gz GFTBKZQEIRLYSZ-WPRPVWTQSA-N 2 0 221.295 0.558 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1CCCc1nc(C)no1 ZINC000570632944 323065557 /nfs/dbraw/zinc/06/55/57/323065557.db2.gz MQIDTGHBQJQXED-NSHDSACASA-N 2 0 238.335 0.994 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N[C@H](C)CCC[NH3+] ZINC000570682209 323066923 /nfs/dbraw/zinc/06/69/23/323066923.db2.gz XANJXEQWLXNOSW-RKDXNWHRSA-N 2 0 201.314 0.086 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)N(C)Cc1c[nH]cn1 ZINC000570698335 323067708 /nfs/dbraw/zinc/06/77/08/323067708.db2.gz FNCKRTVSYOEIRG-QMMMGPOBSA-N 2 0 225.296 0.288 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000570716877 323068452 /nfs/dbraw/zinc/06/84/52/323068452.db2.gz FBCLFQJVJWUQOG-MDZLAQPJSA-N 2 0 239.363 0.572 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000570802377 323070893 /nfs/dbraw/zinc/07/08/93/323070893.db2.gz MORBEUAQNNISCE-VWYCJHECSA-N 2 0 243.351 0.079 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000570824938 323071741 /nfs/dbraw/zinc/07/17/41/323071741.db2.gz WFIYXCGMYOBWCF-MNOVXSKESA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]CCCN1CC2CCC1(C[NH3+])CC2 ZINC000570942981 323076191 /nfs/dbraw/zinc/07/61/91/323076191.db2.gz WYUSXIWTNGSSQO-UHFFFAOYSA-N 2 0 211.353 0.799 20 0 BCADRP [NH3+]CCCCC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000563116644 323093335 /nfs/dbraw/zinc/09/33/35/323093335.db2.gz KOLOPFMEIINKRV-QWRGUYRKSA-N 2 0 227.352 0.749 20 0 BCADRP C[NH+](C)CC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000563115120 323093376 /nfs/dbraw/zinc/09/33/76/323093376.db2.gz LGUHTEWGFWAXMS-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC[C@@]1(C)CC[NH2+]C1 ZINC000563135157 323094568 /nfs/dbraw/zinc/09/45/68/323094568.db2.gz IELLHICJVMKEMB-WOPDTQHZSA-N 2 0 211.353 0.574 20 0 BCADRP C[C@@H]1C[C@H](NC[C@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000563135571 323094649 /nfs/dbraw/zinc/09/46/49/323094649.db2.gz QREZUACTUNUMRS-IJLUTSLNSA-N 2 0 211.353 0.716 20 0 BCADRP [NH3+]CCN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000563153584 323095889 /nfs/dbraw/zinc/09/58/89/323095889.db2.gz BWTHRYJHBNHWMT-NEPJUHHUSA-N 2 0 227.352 0.163 20 0 BCADRP CN(C(=O)CC1CC[NH2+]CC1)C1(C[NH3+])CCC1 ZINC000563162809 323098349 /nfs/dbraw/zinc/09/83/49/323098349.db2.gz NDSSJEQJPSPHDH-UHFFFAOYSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000563169107 323099766 /nfs/dbraw/zinc/09/97/66/323099766.db2.gz DZLPYXKYNMVBBJ-AXFHLTTASA-N 2 0 239.363 0.618 20 0 BCADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000563200964 323101475 /nfs/dbraw/zinc/10/14/75/323101475.db2.gz CTLQCRFRBCRIJB-UTUOFQBUSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)[C@H](C)[NH3+] ZINC000571046455 323105216 /nfs/dbraw/zinc/10/52/16/323105216.db2.gz JYHZYNGSPQDQKZ-AEJSXWLSSA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)[C@H]1CCCO1 ZINC000571058035 323106155 /nfs/dbraw/zinc/10/61/55/323106155.db2.gz KPGKRGGBUKXLOR-RWMBFGLXSA-N 2 0 244.379 0.846 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC000563339331 323119073 /nfs/dbraw/zinc/11/90/73/323119073.db2.gz RAKBZCVKFWUAHE-PWSUYJOCSA-N 2 0 241.379 0.947 20 0 BCADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000563424348 323124130 /nfs/dbraw/zinc/12/41/30/323124130.db2.gz LRGMJKBGQHEWBL-GHMZBOCLSA-N 2 0 248.392 0.671 20 0 BCADRP C[NH2+]C[C@H](C)CN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000563422114 323124165 /nfs/dbraw/zinc/12/41/65/323124165.db2.gz LDOJZFFPSLIDKS-QJPTWQEYSA-N 2 0 213.369 0.820 20 0 BCADRP CC(C)C[C@H]([NH3+])CNC(C)(C)C(=O)N(C)C ZINC000563435783 323125481 /nfs/dbraw/zinc/12/54/81/323125481.db2.gz GGMKMBXICNWSPM-JTQLQIEISA-N 2 0 229.368 0.816 20 0 BCADRP [NH3+]CC[C@@H]1CCCCN1C(=O)C[NH2+]C1CC1 ZINC000563588272 323130721 /nfs/dbraw/zinc/13/07/21/323130721.db2.gz XKFLRDYXRBDOAP-NSHDSACASA-N 2 0 225.336 0.468 20 0 BCADRP [NH3+]CC[C@H]1CCCCN1C(=O)C[NH2+]C1CC1 ZINC000563588271 323130753 /nfs/dbraw/zinc/13/07/53/323130753.db2.gz XKFLRDYXRBDOAP-LLVKDONJSA-N 2 0 225.336 0.468 20 0 BCADRP C[C@]1(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[NH2+]C1 ZINC000563621959 323132027 /nfs/dbraw/zinc/13/20/27/323132027.db2.gz CBIPRZAJRSBBRG-AGIUHOORSA-N 2 0 223.364 0.527 20 0 BCADRP CC[N@H+](C)C[C@@H](O)CN1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000310505132 323132584 /nfs/dbraw/zinc/13/25/84/323132584.db2.gz IYSIZJMIHCLDJB-FRRDWIJNSA-N 2 0 243.395 0.323 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CC(F)F ZINC000571165684 323137278 /nfs/dbraw/zinc/13/72/78/323137278.db2.gz HMLCDPJXFBMRHL-BQBZGAKWSA-N 2 0 237.294 0.459 20 0 BCADRP C[C@@H](NC(=O)N(C)CCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000571181217 323137827 /nfs/dbraw/zinc/13/78/27/323137827.db2.gz UBXHRGYAFMPWBO-GHMZBOCLSA-N 2 0 242.367 0.365 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000571282888 323140210 /nfs/dbraw/zinc/14/02/10/323140210.db2.gz WFTLKZRWUPVXJO-QWRGUYRKSA-N 2 0 227.352 0.490 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000571298659 323140762 /nfs/dbraw/zinc/14/07/62/323140762.db2.gz XEXMKHRTJCGOGP-BJDJZHNGSA-N 2 0 211.353 0.986 20 0 BCADRP C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000571325937 323141457 /nfs/dbraw/zinc/14/14/57/323141457.db2.gz DSAMMGPGXIDXJG-NSHDSACASA-N 2 0 225.336 0.339 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000571401022 323143638 /nfs/dbraw/zinc/14/36/38/323143638.db2.gz LYEAYKJHZHAFSZ-SRVKXCTJSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000571401023 323143644 /nfs/dbraw/zinc/14/36/44/323143644.db2.gz LYEAYKJHZHAFSZ-WOPDTQHZSA-N 2 0 241.379 0.912 20 0 BCADRP C[C@@H](NC(=O)CC[C@@H]1CC[NH2+]C1)[C@H](C)[NH3+] ZINC000571402807 323143740 /nfs/dbraw/zinc/14/37/40/323143740.db2.gz FTWRBTWNNXETHW-IVZWLZJFSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000161070819 323145758 /nfs/dbraw/zinc/14/57/58/323145758.db2.gz CKFNOXUYXZICOX-GHMZBOCLSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCCC1 ZINC000161095710 323146298 /nfs/dbraw/zinc/14/62/98/323146298.db2.gz HHHXWCPKIHXIST-GRYCIOLGSA-N 2 0 239.363 0.585 20 0 BCADRP [NH3+][C@H]1CCC[C@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000571522851 323146848 /nfs/dbraw/zinc/14/68/48/323146848.db2.gz MTDUXCFWSOGOIC-DCAQKATOSA-N 2 0 225.336 0.230 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH3+])C1 ZINC000571532021 323147169 /nfs/dbraw/zinc/14/71/69/323147169.db2.gz RFBQKDRIHBMLJM-LBPRGKRZSA-N 2 0 247.342 0.622 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000571573330 323148167 /nfs/dbraw/zinc/14/81/67/323148167.db2.gz ZDAIGEMWWAWZBW-AXFHLTTASA-N 2 0 200.326 0.687 20 0 BCADRP [NH3+][C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000571645506 323150757 /nfs/dbraw/zinc/15/07/57/323150757.db2.gz RGKPKEUNBGBSTD-MXWKQRLJSA-N 2 0 237.347 0.324 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000563706489 323174658 /nfs/dbraw/zinc/17/46/58/323174658.db2.gz JJDWORIWMLOZOZ-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000563810191 323178437 /nfs/dbraw/zinc/17/84/37/323178437.db2.gz JJKFNICNOFGCPQ-QWRGUYRKSA-N 2 0 227.352 0.762 20 0 BCADRP CC/C=C\C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000563881281 323182876 /nfs/dbraw/zinc/18/28/76/323182876.db2.gz FJAPNMHWNHJOJH-ZFDPJTLLSA-N 2 0 241.379 0.151 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH3+] ZINC000309020764 323190173 /nfs/dbraw/zinc/19/01/73/323190173.db2.gz WUBGLXCEDPOEAA-IUCAKERBSA-N 2 0 201.314 0.213 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC000563897342 323205577 /nfs/dbraw/zinc/20/55/77/323205577.db2.gz VQRCPRZNNHTIRO-LBPRGKRZSA-N 2 0 241.379 0.785 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530216871 323217200 /nfs/dbraw/zinc/21/72/00/323217200.db2.gz QSIBBZCXLBPGDW-SRVKXCTJSA-N 2 0 223.364 0.988 20 0 BCADRP CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000324590355 323242067 /nfs/dbraw/zinc/24/20/67/323242067.db2.gz DMLXGWLJXOTPEJ-WDEREUQCSA-N 2 0 214.353 0.983 20 0 BCADRP CC(C)CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103211665 323245812 /nfs/dbraw/zinc/24/58/12/323245812.db2.gz YRJNKKIYXSFQBA-UHFFFAOYSA-N 2 0 243.395 0.984 20 0 BCADRP CC[C@@H]([NH2+]C[C@@H](O)CN(C)C)C1CCOCC1 ZINC000532515936 323272406 /nfs/dbraw/zinc/27/24/06/323272406.db2.gz VAWLQIRGWKPANP-CHWSQXEVSA-N 2 0 244.379 0.704 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000571677258 323325206 /nfs/dbraw/zinc/32/52/06/323325206.db2.gz VUPPNBFVGAMTEG-MXWKQRLJSA-N 2 0 242.367 0.506 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C[NH2+]C1CC1 ZINC000563945652 323330184 /nfs/dbraw/zinc/33/01/84/323330184.db2.gz CBHOVTLIIUVOLS-ONGXEEELSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000309385419 323365172 /nfs/dbraw/zinc/36/51/72/323365172.db2.gz DYRNIHRUCHXDMV-SRVKXCTJSA-N 2 0 211.353 0.655 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000309507404 323419957 /nfs/dbraw/zinc/41/99/57/323419957.db2.gz WIDALPIVAJHSKM-NXEZZACHSA-N 2 0 213.325 0.454 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000564065221 323423278 /nfs/dbraw/zinc/42/32/78/323423278.db2.gz UPTIDWIRNDDBPC-WCQGTBRESA-N 2 0 239.363 0.618 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)c1coc(C[NH3+])c1 ZINC000571797197 323481966 /nfs/dbraw/zinc/48/19/66/323481966.db2.gz MGLMDZILNSXDDQ-MRVPVSSYSA-N 2 0 225.292 0.466 20 0 BCADRP C[C@H](C(=O)N1CCCC[C@H]1C[NH3+])C1C[NH2+]C1 ZINC000571797793 323482631 /nfs/dbraw/zinc/48/26/31/323482631.db2.gz YOZSTNGMVDINTB-ONGXEEELSA-N 2 0 225.336 0.182 20 0 BCADRP C[NH2+]Cc1ccc(NC(=O)[C@H](C)C[NH3+])cc1 ZINC000571802991 323483450 /nfs/dbraw/zinc/48/34/50/323483450.db2.gz RFEFURFDMHAIIA-SECBINFHSA-N 2 0 221.304 0.939 20 0 BCADRP C[NH+](C)CCCCNC(=O)C(C)(C)[NH3+] ZINC000041679596 487958787 /nfs/dbraw/zinc/95/87/87/487958787.db2.gz RIVKJBZRYZKUNW-UHFFFAOYSA-N 2 0 201.314 0.182 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000571984637 323516829 /nfs/dbraw/zinc/51/68/29/323516829.db2.gz CKHMBAIALOVPQS-ZRUFSTJUSA-N 2 0 225.336 0.193 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000572256118 323579107 /nfs/dbraw/zinc/57/91/07/323579107.db2.gz BLLAHQNOAVWIEV-IUCAKERBSA-N 2 0 201.314 0.228 20 0 BCADRP C[NH+](C)CCCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000041679539 487959307 /nfs/dbraw/zinc/95/93/07/487959307.db2.gz OLICLNHFLOJSHT-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](C)C1C[NH2+]C1 ZINC000572361904 323608209 /nfs/dbraw/zinc/60/82/09/323608209.db2.gz HZRHLLGECNMCDD-ZYHUDNBSSA-N 2 0 241.379 0.674 20 0 BCADRP [NH3+]CCOc1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000572365543 323609207 /nfs/dbraw/zinc/60/92/07/323609207.db2.gz WWGICEAQILRWTG-AOOOYVTPSA-N 2 0 249.314 0.700 20 0 BCADRP CC[C@H](C(=O)NC[C@H](C)[NH+]1CCCC1)[NH+](C)C ZINC000533123758 323849779 /nfs/dbraw/zinc/84/97/79/323849779.db2.gz RIRGRGVVHTYHJH-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529350080 324275883 /nfs/dbraw/zinc/27/58/83/324275883.db2.gz NPSIALJQOFQYBX-NXEZZACHSA-N 2 0 238.335 0.014 20 0 BCADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@H](C)C[NH3+] ZINC000529337371 324276104 /nfs/dbraw/zinc/27/61/04/324276104.db2.gz OXJSQKSVTIGXIO-GHMZBOCLSA-N 2 0 242.367 0.221 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000529344366 324278034 /nfs/dbraw/zinc/27/80/34/324278034.db2.gz XZUSCIMLSBMSTI-MNOVXSKESA-N 2 0 242.367 0.363 20 0 BCADRP CCn1nncc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000530206378 324523226 /nfs/dbraw/zinc/52/32/26/324523226.db2.gz BIZDIAKVQJUIGX-NXEZZACHSA-N 2 0 223.324 0.658 20 0 BCADRP CCn1nncc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000530208553 324525935 /nfs/dbraw/zinc/52/59/35/324525935.db2.gz HPKUTUFBOPYUGY-MWLCHTKSSA-N 2 0 223.324 0.515 20 0 BCADRP COCCC1CC[NH+](CCOCC[NH3+])CC1 ZINC000530222961 324541126 /nfs/dbraw/zinc/54/11/26/324541126.db2.gz KKQQRCFBHONEJI-UHFFFAOYSA-N 2 0 230.352 0.710 20 0 BCADRP C[NH2+]CCCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000564209041 324728971 /nfs/dbraw/zinc/72/89/71/324728971.db2.gz FGCLRXGEOWQYCU-TXEJJXNPSA-N 2 0 239.363 0.444 20 0 BCADRP C[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000083913248 487965462 /nfs/dbraw/zinc/96/54/62/487965462.db2.gz YOVOPUSCSUIOSH-LLVKDONJSA-N 2 0 239.363 0.729 20 0 BCADRP CCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000131912459 325190743 /nfs/dbraw/zinc/19/07/43/325190743.db2.gz KHGOLQZEOGPING-VWYCJHECSA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)[NH2+]CCC(=O)NC[C@@H]([NH3+])C(C)C ZINC000131916299 325191009 /nfs/dbraw/zinc/19/10/09/325191009.db2.gz FOXAZRGNTBPOIH-SNVBAGLBSA-N 2 0 215.341 0.474 20 0 BCADRP CC(=O)NC1CCC([NH2+]CCC[NH+](C)C)CC1 ZINC000132358687 325212478 /nfs/dbraw/zinc/21/24/78/325212478.db2.gz LJHRLSGQRPVMGL-UHFFFAOYSA-N 2 0 241.379 0.975 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000252601877 325689315 /nfs/dbraw/zinc/68/93/15/325689315.db2.gz MRPQORNIVUZYEX-SDDRHHMPSA-N 2 0 239.363 0.537 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)c1coc(C[NH3+])c1 ZINC000564798077 325809993 /nfs/dbraw/zinc/80/99/93/325809993.db2.gz QTXQKVZNGKECDS-JTQLQIEISA-N 2 0 237.303 0.562 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000564836118 325814104 /nfs/dbraw/zinc/81/41/04/325814104.db2.gz DOKXOOILKCUZBD-ONGXEEELSA-N 2 0 225.336 0.195 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000564840867 325815052 /nfs/dbraw/zinc/81/50/52/325815052.db2.gz ZFXDOLALXOMBRA-MMWGEVLESA-N 2 0 227.352 0.603 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000564938035 325829507 /nfs/dbraw/zinc/82/95/07/325829507.db2.gz RPEDVJYVUCKBRH-NWDGAFQWSA-N 2 0 241.379 0.975 20 0 BCADRP CCC[NH2+]CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000564949839 325832470 /nfs/dbraw/zinc/83/24/70/325832470.db2.gz FPCXXAHLZBMCTI-LLVKDONJSA-N 2 0 227.352 0.492 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000564957802 325834447 /nfs/dbraw/zinc/83/44/47/325834447.db2.gz FJJSUBMWFSVXOL-VHSXEESVSA-N 2 0 227.352 0.761 20 0 BCADRP C[C@H]([NH2+]CCOCC[NH3+])[C@H]1CCCOC1 ZINC000564988431 325836105 /nfs/dbraw/zinc/83/61/05/325836105.db2.gz HAUQTJKITZVHLE-QWRGUYRKSA-N 2 0 216.325 0.366 20 0 BCADRP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000564995883 325843813 /nfs/dbraw/zinc/84/38/13/325843813.db2.gz WCGJOFPSASNOCV-CZXHOFHRSA-N 2 0 249.358 0.243 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC(=O)CCCC[NH3+] ZINC000565364745 325901906 /nfs/dbraw/zinc/90/19/06/325901906.db2.gz KJOFDRGBHYMDRL-SECBINFHSA-N 2 0 213.325 0.372 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000566191732 326003889 /nfs/dbraw/zinc/00/38/89/326003889.db2.gz CFZPIHWXSAMBPN-OPRDCNLKSA-N 2 0 230.356 0.409 20 0 BCADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC[NH3+] ZINC000566195340 326004373 /nfs/dbraw/zinc/00/43/73/326004373.db2.gz LXXNWPHPRBCYCA-SNVBAGLBSA-N 2 0 207.277 0.070 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCC[NH3+] ZINC000566195339 326010736 /nfs/dbraw/zinc/01/07/36/326010736.db2.gz LXXNWPHPRBCYCA-JTQLQIEISA-N 2 0 207.277 0.070 20 0 BCADRP O=C(NC1CC[NH2+]CC1)c1ccc2c(c1)C[NH2+]C2 ZINC000566195474 326010895 /nfs/dbraw/zinc/01/08/95/326010895.db2.gz TXSCJIVNZONKMH-UHFFFAOYSA-N 2 0 245.326 0.772 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C2([NH3+])CCC2)C1 ZINC000566201703 326011908 /nfs/dbraw/zinc/01/19/08/326011908.db2.gz YAWBHQBZIZJHFC-NXEZZACHSA-N 2 0 225.336 0.454 20 0 BCADRP C[NH2+]CCC1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000566206442 326013181 /nfs/dbraw/zinc/01/31/81/326013181.db2.gz REIHQOZAHJFLSQ-GFCCVEGCSA-N 2 0 239.363 0.587 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000566205892 326013285 /nfs/dbraw/zinc/01/32/85/326013285.db2.gz LERXDNPXPTUPAO-WHOHXGKFSA-N 2 0 237.347 0.052 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000566208903 326013693 /nfs/dbraw/zinc/01/36/93/326013693.db2.gz MJGWYPVVWYUHFQ-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]CC[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)C(F)F ZINC000566211128 326014259 /nfs/dbraw/zinc/01/42/59/326014259.db2.gz DCJXQFKUXCWLGX-BDAKNGLRSA-N 2 0 249.305 0.475 20 0 BCADRP C[NH2+][C@@H](C)Cc1noc(-c2c[nH+]ccc2N)n1 ZINC000566214736 326014992 /nfs/dbraw/zinc/01/49/92/326014992.db2.gz RZCLEQOHQSVMPC-ZETCQYMHSA-N 2 0 233.275 0.695 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)c1ccnc(C[NH3+])c1 ZINC000566215154 326015902 /nfs/dbraw/zinc/01/59/02/326015902.db2.gz WTTRUIVKGXKWLB-SECBINFHSA-N 2 0 222.292 0.007 20 0 BCADRP O=C([C@H]1CCCC[NH2+]1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000566252114 326024772 /nfs/dbraw/zinc/02/47/72/326024772.db2.gz GQHVVPSWWVCJHG-QJPTWQEYSA-N 2 0 237.347 0.196 20 0 BCADRP CCN(C)C[C@H](O)C[N@H+](CC)[C@H](C)CO ZINC000566425413 326044388 /nfs/dbraw/zinc/04/43/88/326044388.db2.gz WJBAZUMGYSXATH-MNOVXSKESA-N 2 0 218.341 0.002 20 0 BCADRP COC[C@]1(CN[C@H]2CCC[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000566483866 326056292 /nfs/dbraw/zinc/05/62/92/326056292.db2.gz XNVDQFVMOQQCEB-RWMBFGLXSA-N 2 0 241.379 0.615 20 0 BCADRP CC(C)[NH2+]CC(=O)NC1(C)CC[NH2+]CC1 ZINC000566507980 326060136 /nfs/dbraw/zinc/06/01/36/326060136.db2.gz PDPWWNKSFHWEHS-UHFFFAOYSA-N 2 0 213.325 0.243 20 0 BCADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000566610321 326067324 /nfs/dbraw/zinc/06/73/24/326067324.db2.gz JYQADJKLNPGRAD-HBNTYKKESA-N 2 0 225.336 0.243 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000566618781 326068528 /nfs/dbraw/zinc/06/85/28/326068528.db2.gz FVRKRRDBQHRRRH-ZJUUUORDSA-N 2 0 225.336 0.324 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)CCC1CC[NH2+]CC1 ZINC000566738553 326078403 /nfs/dbraw/zinc/07/84/03/326078403.db2.gz YHUCIHFJHJMOJU-NSHDSACASA-N 2 0 227.352 0.620 20 0 BCADRP C[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C1 ZINC000566790742 326082432 /nfs/dbraw/zinc/08/24/32/326082432.db2.gz JXNDRCLXZNPTHC-GHMZBOCLSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000566855183 326088356 /nfs/dbraw/zinc/08/83/56/326088356.db2.gz VLJWYAOQINOVQI-MFKMUULPSA-N 2 0 247.342 0.727 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000566853947 326088417 /nfs/dbraw/zinc/08/84/17/326088417.db2.gz LBORGKIQKLWLRZ-CYBMUJFWSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000566913878 326091238 /nfs/dbraw/zinc/09/12/38/326091238.db2.gz OKHWMQUTNZRSBI-WDEREUQCSA-N 2 0 225.336 0.326 20 0 BCADRP C[C@@]1(CN2CCCO[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000566916175 326094045 /nfs/dbraw/zinc/09/40/45/326094045.db2.gz VQSIQGBPMGHIHC-NWDGAFQWSA-N 2 0 227.352 0.036 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@]34C[C@H]3CC[NH2+]4)C[C@@H]21 ZINC000566968236 326097232 /nfs/dbraw/zinc/09/72/32/326097232.db2.gz LBUFBYZQNXBWRW-XJGUIPMBSA-N 2 0 249.358 0.324 20 0 BCADRP COC[C@@]1(CNC[C@@]2(C)CC[NH2+]C2)CCC[NH2+]1 ZINC000566973640 326098266 /nfs/dbraw/zinc/09/82/66/326098266.db2.gz NAOBZXGHBIBWGI-STQMWFEESA-N 2 0 241.379 0.344 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)C[NH2+]C1CC1 ZINC000153928537 326120877 /nfs/dbraw/zinc/12/08/77/326120877.db2.gz LCQFTVUXMWEKPO-UHFFFAOYSA-N 2 0 213.325 0.372 20 0 BCADRP NC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000567179801 326130657 /nfs/dbraw/zinc/13/06/57/326130657.db2.gz VDPFFPPPJLMKEF-ZRUFSTJUSA-N 2 0 225.336 0.500 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCSC ZINC000567232857 326147324 /nfs/dbraw/zinc/14/73/24/326147324.db2.gz NFJCMXCIKRVOGI-ZJUUUORDSA-N 2 0 247.408 0.701 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@H]([NH2+]C3CC3)C2)C1 ZINC000567236016 326148573 /nfs/dbraw/zinc/14/85/73/326148573.db2.gz BEUXCFQSADDBAQ-UMNHJUIQSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000567240828 326149060 /nfs/dbraw/zinc/14/90/60/326149060.db2.gz CQRCHXXYMDPQIM-SNVBAGLBSA-N 2 0 242.367 0.352 20 0 BCADRP CN1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CCC1=O ZINC000567260307 326152551 /nfs/dbraw/zinc/15/25/51/326152551.db2.gz GUICPHUYDZWUPV-GRYCIOLGSA-N 2 0 239.363 0.857 20 0 BCADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000567267321 326153331 /nfs/dbraw/zinc/15/33/31/326153331.db2.gz ZVWZLMNJXMNBPC-AEJSXWLSSA-N 2 0 230.356 0.267 20 0 BCADRP O=C(Nc1cccc2c1CC[NH2+]C2)[C@H]1CC[NH2+]1 ZINC000567377086 326178361 /nfs/dbraw/zinc/17/83/61/326178361.db2.gz OVLVHKHHAHNWDV-GFCCVEGCSA-N 2 0 231.299 0.633 20 0 BCADRP CSC[C@H](O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000567378084 326178940 /nfs/dbraw/zinc/17/89/40/326178940.db2.gz OPDXFIPZHYGSTJ-NXEZZACHSA-N 2 0 220.382 0.640 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000567383930 326180647 /nfs/dbraw/zinc/18/06/47/326180647.db2.gz HBLVRGZQKIWHRO-KATARQTJSA-N 2 0 213.325 0.226 20 0 BCADRP [NH3+]CCCC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000567389161 326182248 /nfs/dbraw/zinc/18/22/48/326182248.db2.gz PWYDQGGAOBDQAM-CYBMUJFWSA-N 2 0 247.342 0.810 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000155237815 326189687 /nfs/dbraw/zinc/18/96/87/326189687.db2.gz GRJVHGSTRUIJHY-AXFHLTTASA-N 2 0 227.352 0.476 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000567469610 326198696 /nfs/dbraw/zinc/19/86/96/326198696.db2.gz PBMLGVJFVWNIMK-PWSUYJOCSA-N 2 0 227.352 0.701 20 0 BCADRP CN(C(=O)[C@H]1C[C@]12CC[NH2+]C2)C1CC[NH2+]CC1 ZINC000567500847 326203893 /nfs/dbraw/zinc/20/38/93/326203893.db2.gz QDOSSURRCZVQGR-YPMHNXCESA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000567500297 326205138 /nfs/dbraw/zinc/20/51/38/326205138.db2.gz VUSXEXDHXINWED-AAEUAGOBSA-N 2 0 237.347 0.183 20 0 BCADRP C[C@@H](C(=O)NCC[N@@H+]1CC[C@@H](C)C1)[C@H](C)[NH3+] ZINC000567505066 326206422 /nfs/dbraw/zinc/20/64/22/326206422.db2.gz LFXSQZYDIZCPQQ-MXWKQRLJSA-N 2 0 227.352 0.428 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000156172069 326221310 /nfs/dbraw/zinc/22/13/10/326221310.db2.gz COHZOHIZHCXMBH-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]1 ZINC000567596005 326225408 /nfs/dbraw/zinc/22/54/08/326225408.db2.gz UNQOERRIMQCVTF-NTZNESFSSA-N 2 0 237.347 0.481 20 0 BCADRP FC(F)[C@H]1C[NH2+]CCN1CC1CC[NH2+]CC1 ZINC000567613203 326228860 /nfs/dbraw/zinc/22/88/60/326228860.db2.gz RXRVGRVOEOIYST-SNVBAGLBSA-N 2 0 233.306 0.525 20 0 BCADRP C[C@H]([NH3+])CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000567614050 326229499 /nfs/dbraw/zinc/22/94/99/326229499.db2.gz ZYRLVAUCUYMREA-JQWIXIFHSA-N 2 0 220.320 0.375 20 0 BCADRP COCC[N@@H+]1CC[C@@H](NCCC[NH2+]C(C)C)C1 ZINC000567639277 326236707 /nfs/dbraw/zinc/23/67/07/326236707.db2.gz DHTVFERFWOMCCQ-CYBMUJFWSA-N 2 0 243.395 0.685 20 0 BCADRP O=C([C@@H]1CCC[NH2+]1)N1CCNCc2ccccc21 ZINC000567669140 326241982 /nfs/dbraw/zinc/24/19/82/326241982.db2.gz OTABJGHDGDFEHL-LBPRGKRZSA-N 2 0 245.326 0.875 20 0 BCADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CC1(C[NH3+])CC1 ZINC000567669838 326242376 /nfs/dbraw/zinc/24/23/76/326242376.db2.gz PJKHZPOYVQPMII-ZJUUUORDSA-N 2 0 225.336 0.311 20 0 BCADRP CC[C@H]1CC[C@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000567724011 326251564 /nfs/dbraw/zinc/25/15/64/326251564.db2.gz PYAOEHVNVSPHAM-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000567732575 326252751 /nfs/dbraw/zinc/25/27/51/326252751.db2.gz FGXDIPXVBQZLFI-VIFPVBQESA-N 2 0 233.315 0.757 20 0 BCADRP C[NH+](C)CCN(C(=O)C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000567731877 326252894 /nfs/dbraw/zinc/25/28/94/326252894.db2.gz BFDOXZHGNUGCIX-NSHDSACASA-N 2 0 239.363 0.681 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567737570 326253277 /nfs/dbraw/zinc/25/32/77/326253277.db2.gz QYGBIQIYHLDPCA-OUAUKWLOSA-N 2 0 239.363 0.618 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000567815317 326261955 /nfs/dbraw/zinc/26/19/55/326261955.db2.gz RFHVKGNABFNNHX-UBHSHLNASA-N 2 0 249.358 0.198 20 0 BCADRP CC(C)[NH2+]CCC(=O)N(CC[NH+](C)C)C1CC1 ZINC000567825158 326264695 /nfs/dbraw/zinc/26/46/95/326264695.db2.gz YYPUUXKORKBGLP-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000567831045 326265885 /nfs/dbraw/zinc/26/58/85/326265885.db2.gz ISQQRBQZWDHNBR-MVWJERBFSA-N 2 0 239.363 0.700 20 0 BCADRP C[NH2+]CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000567834619 326266160 /nfs/dbraw/zinc/26/61/60/326266160.db2.gz OIEUGFLLNSZSRR-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[NH2+]CCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000567834931 326266622 /nfs/dbraw/zinc/26/66/22/326266622.db2.gz UNADWHKOEJGYFT-VHSXEESVSA-N 2 0 213.325 0.230 20 0 BCADRP CC(C)[C@H](C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[C@H](C)[NH3+] ZINC000567846573 326268345 /nfs/dbraw/zinc/26/83/45/326268345.db2.gz HTOZJSKPTKDDPR-QCNOEVLYSA-N 2 0 241.379 0.849 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000567847622 326269636 /nfs/dbraw/zinc/26/96/36/326269636.db2.gz UKLSOGOENMLFTE-AATLWQCWSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH3+])C(C)(C)C)CC[NH2+]1 ZINC000567900194 326279622 /nfs/dbraw/zinc/27/96/22/326279622.db2.gz ZBKFDBPGEVSASA-GARJFASQSA-N 2 0 241.379 0.864 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCC[NH2+]C1CC1 ZINC000567922838 326280484 /nfs/dbraw/zinc/28/04/84/326280484.db2.gz QZQDJVQGGJBBPR-RKDXNWHRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000567907848 326281301 /nfs/dbraw/zinc/28/13/01/326281301.db2.gz BTMMMPRQMHOANT-SKDRFNHKSA-N 2 0 221.304 0.324 20 0 BCADRP C[C@@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000567926250 326284569 /nfs/dbraw/zinc/28/45/69/326284569.db2.gz DRHOVVLZKQJHAN-KYXWUPHJSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000567971584 326289622 /nfs/dbraw/zinc/28/96/22/326289622.db2.gz JFZLOWMIPFGCCU-SDDRHHMPSA-N 2 0 239.363 0.572 20 0 BCADRP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC)[NH+](C)C ZINC000157773824 326295341 /nfs/dbraw/zinc/29/53/41/326295341.db2.gz MQWAQSMXWVGPHU-NWDGAFQWSA-N 2 0 241.379 0.927 20 0 BCADRP CC[C@H](C)C[N@H+](C)C[C@](C)(O)C[NH2+]C ZINC000568050903 326300204 /nfs/dbraw/zinc/30/02/04/326300204.db2.gz MQIQICZAOQIRCG-WDEREUQCSA-N 2 0 202.342 0.935 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000568050859 326300791 /nfs/dbraw/zinc/30/07/91/326300791.db2.gz JTCFBRMOEVCEHP-VXGBXAGGSA-N 2 0 214.353 0.935 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CCC[NH3+] ZINC000568091292 326306847 /nfs/dbraw/zinc/30/68/47/326306847.db2.gz RBRAOXYHIKIRRH-QMMMGPOBSA-N 2 0 201.314 0.215 20 0 BCADRP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC)C1)[NH+](C)C ZINC000158276279 326314687 /nfs/dbraw/zinc/31/46/87/326314687.db2.gz FVUQJBHQWRSMFF-RYUDHWBXSA-N 2 0 241.379 0.785 20 0 BCADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CC[NH2+]C1CC1 ZINC000568230980 326329010 /nfs/dbraw/zinc/32/90/10/326329010.db2.gz IZBRUTSXNSYZBK-VHSXEESVSA-N 2 0 225.336 0.337 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000568231573 326330540 /nfs/dbraw/zinc/33/05/40/326330540.db2.gz XMTOWQUBSFMTOK-JQWIXIFHSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000568371795 326350698 /nfs/dbraw/zinc/35/06/98/326350698.db2.gz WMVQLTBKNNDOAG-SRVKXCTJSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H](C[NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000568388988 326352576 /nfs/dbraw/zinc/35/25/76/326352576.db2.gz IHIWWCZDVMMYIP-JTQLQIEISA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000568509192 326361042 /nfs/dbraw/zinc/36/10/42/326361042.db2.gz CAVPUSCEHXYWIW-GMTAPVOTSA-N 2 0 225.336 0.372 20 0 BCADRP Cc1noc(CCC[N@@H+](C)C2CC([NH3+])C2)n1 ZINC000568512000 326361323 /nfs/dbraw/zinc/36/13/23/326361323.db2.gz FWEJNJXKSSSQFY-UHFFFAOYSA-N 2 0 224.308 0.732 20 0 BCADRP C[C@]1(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000568510840 326361445 /nfs/dbraw/zinc/36/14/45/326361445.db2.gz BUFFJOHAUCZTAX-UTUOFQBUSA-N 3 0 211.353 0.703 20 0 BCADRP [NH3+]C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCCO1 ZINC000568511761 326361549 /nfs/dbraw/zinc/36/15/49/326361549.db2.gz UYSIRLRKZSUCBT-LBPRGKRZSA-N 3 0 227.352 0.036 20 0 BCADRP CCOC[C@H](O)C[NH2+][C@H](C)C1=CC[N@H+](C)CC1 ZINC000568621816 326368026 /nfs/dbraw/zinc/36/80/26/326368026.db2.gz LBSIISGNQQVREC-DGCLKSJQSA-N 2 0 242.363 0.624 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000568633842 326369659 /nfs/dbraw/zinc/36/96/59/326369659.db2.gz MYKOLFBFCBMSRH-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000569120085 326391797 /nfs/dbraw/zinc/39/17/97/326391797.db2.gz YLZZTKZZAAUJDO-XWLWVQCSSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000569246642 326397623 /nfs/dbraw/zinc/39/76/23/326397623.db2.gz JELDMUULFAMPTF-UKKRHICBSA-N 2 0 225.336 0.371 20 0 BCADRP COC[C@H](C)C[NH+]1CCC(C[NH3+])CC1 ZINC000163536304 326403150 /nfs/dbraw/zinc/40/31/50/326403150.db2.gz RPHFHICCRBVRGR-SNVBAGLBSA-N 2 0 200.326 0.940 20 0 BCADRP C[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000572952417 326420492 /nfs/dbraw/zinc/42/04/92/326420492.db2.gz OZMQJDIZSYVVPZ-GMXVVIOVSA-N 2 0 239.363 0.490 20 0 BCADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000573093774 326429264 /nfs/dbraw/zinc/42/92/64/326429264.db2.gz SQCZIJJEGHUMNZ-VIFPVBQESA-N 2 0 234.303 0.321 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000194900903 487979876 /nfs/dbraw/zinc/97/98/76/487979876.db2.gz USURGALLSGKDOI-NAKRPEOUSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H](O)C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000235563331 487980580 /nfs/dbraw/zinc/98/05/80/487980580.db2.gz LOSDDKYUQRBPMB-QWRGUYRKSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@H]([NH3+])CCC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000309513860 487982394 /nfs/dbraw/zinc/98/23/94/487982394.db2.gz YASPQLHUHGAQAL-VHSXEESVSA-N 2 0 213.325 0.372 20 0 BCADRP Cc1cc(NC(=O)CC[N@H+](C)CCC[NH3+])no1 ZINC000123301954 487983224 /nfs/dbraw/zinc/98/32/24/487983224.db2.gz GNOLBJLNFFXXNJ-UHFFFAOYSA-N 2 0 240.307 0.592 20 0 BCADRP [NH3+]CCCCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418401443 487991710 /nfs/dbraw/zinc/99/17/10/487991710.db2.gz GNGRVEBKISYMFH-MNOVXSKESA-N 2 0 242.367 0.542 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CC(C)(C)[NH3+] ZINC000186781194 487992232 /nfs/dbraw/zinc/99/22/32/487992232.db2.gz HRITZEGDTLZPDK-BDAKNGLRSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](CO)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000677221224 488002563 /nfs/dbraw/zinc/00/25/63/488002563.db2.gz DMKMGOLAUFXACX-CYBMUJFWSA-N 2 0 245.411 0.430 20 0 BCADRP [NH3+]C[C@@H](NC(=O)CC1([NH3+])CCC1)C1CC1 ZINC000309648637 488011061 /nfs/dbraw/zinc/01/10/61/488011061.db2.gz WXAMHLGTIWBRGP-SECBINFHSA-N 2 0 211.309 0.111 20 0 BCADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000111825264 488012625 /nfs/dbraw/zinc/01/26/25/488012625.db2.gz VXUJEPCUSHSTQM-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185025949 488014323 /nfs/dbraw/zinc/01/43/23/488014323.db2.gz PDUURGHFJVLASK-USZNOCQGSA-N 2 0 239.363 0.556 20 0 BCADRP C[C@H](CNC(=O)CC(C)(C)[NH3+])C[NH+]1CCCC1 ZINC000084186470 488035652 /nfs/dbraw/zinc/03/56/52/488035652.db2.gz USEIXWUQKZKZJG-LLVKDONJSA-N 2 0 241.379 0.962 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000084217006 488037571 /nfs/dbraw/zinc/03/75/71/488037571.db2.gz YBKRNRHRLUBTFB-GARJFASQSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)CC[NH2+]C2CC2)C1 ZINC000655449079 488037885 /nfs/dbraw/zinc/03/78/85/488037885.db2.gz JAKNUPWMKQUOGS-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]([NH2+]CCC[NH3+])c1cccc(-n2cnnn2)c1 ZINC000037713309 488038617 /nfs/dbraw/zinc/03/86/17/488038617.db2.gz ZFMQXZDPLPBODI-JTQLQIEISA-N 2 0 246.318 0.662 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1CCc2nccn2C1 ZINC000655450364 488040607 /nfs/dbraw/zinc/04/06/07/488040607.db2.gz LGXZAMUGBWBVIV-ZJUUUORDSA-N 2 0 236.319 0.157 20 0 BCADRP CCC[NH2+]CCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655450676 488042312 /nfs/dbraw/zinc/04/23/12/488042312.db2.gz WUVNGQLJEWSBTA-DGCLKSJQSA-N 2 0 239.363 0.492 20 0 BCADRP CC1([NH3+])CCN(C[C@@]23C[C@@H]2C[NH2+]C3)CC1 ZINC000663495022 488044171 /nfs/dbraw/zinc/04/41/71/488044171.db2.gz TUPIMWXXLAWKNX-PWSUYJOCSA-N 2 0 209.337 0.409 20 0 BCADRP C[C@]1(F)C[NH2+]CCN(C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663495027 488045135 /nfs/dbraw/zinc/04/51/35/488045135.db2.gz UCPZLOFRGNLPHH-WOPDTQHZSA-N 2 0 227.327 0.229 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)CN(C)[C@H]1CCCOC1 ZINC000401676072 488046566 /nfs/dbraw/zinc/04/65/66/488046566.db2.gz SSRZYIQHWDBMCO-QWHCGFSZSA-N 2 0 244.379 0.798 20 0 BCADRP C[C@@H]1C[C@H](NCC23CC(C2)C[NH2+]3)CC[NH2+]1 ZINC000663499574 488047725 /nfs/dbraw/zinc/04/77/25/488047725.db2.gz DFSCQTFGDACJSK-QTAHKJALSA-N 2 0 209.337 0.469 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000084382621 488048306 /nfs/dbraw/zinc/04/83/06/488048306.db2.gz FZSMXPNFUIHNHQ-WDEREUQCSA-N 2 0 225.336 0.196 20 0 BCADRP [NH3+]C1(CNC[C@@]23C[C@@H]2C[NH2+]C3)CCCC1 ZINC000663499884 488048662 /nfs/dbraw/zinc/04/86/62/488048662.db2.gz WUOJHSDUWOFQLK-MNOVXSKESA-N 2 0 209.337 0.457 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669491122 488052583 /nfs/dbraw/zinc/05/25/83/488052583.db2.gz MPZVWGPWMMMPKE-GXSJLCMTSA-N 2 0 240.351 0.117 20 0 BCADRP CC1(C)C[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CO1 ZINC000396892480 488057345 /nfs/dbraw/zinc/05/73/45/488057345.db2.gz QXSNIULZLOPVJB-DCAQKATOSA-N 2 0 210.321 0.705 20 0 BCADRP COCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000230197043 488070954 /nfs/dbraw/zinc/07/09/54/488070954.db2.gz RRXQWNJIVVPPKI-UTUOFQBUSA-N 2 0 230.352 0.633 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2csnn2)C1 ZINC000656269207 488073730 /nfs/dbraw/zinc/07/37/30/488073730.db2.gz MNCYEQFLGIMVIA-WAAGHKOSSA-N 2 0 226.349 0.968 20 0 BCADRP C([C@H]1CC[NH2+]C1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257661442 488078569 /nfs/dbraw/zinc/07/85/69/488078569.db2.gz GJVIAXMAGIDGDE-LBPRGKRZSA-N 3 0 223.364 0.671 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000389167111 488079681 /nfs/dbraw/zinc/07/96/81/488079681.db2.gz MVAYYJVBIVHZSE-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH2+]C)C1 ZINC000389162723 488080052 /nfs/dbraw/zinc/08/00/52/488080052.db2.gz LXJNFFNWTYJUHP-MNOVXSKESA-N 2 0 227.352 0.442 20 0 BCADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000257685955 488080754 /nfs/dbraw/zinc/08/07/54/488080754.db2.gz KIUXLTNZJTVBRB-NWDGAFQWSA-N 2 0 239.363 0.587 20 0 BCADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1CC[NH2+]CC1 ZINC000236721925 488083983 /nfs/dbraw/zinc/08/39/83/488083983.db2.gz BTZKGLKTEREUJH-LBPRGKRZSA-N 2 0 241.379 0.818 20 0 BCADRP CC(C)[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1 ZINC000257792683 488089171 /nfs/dbraw/zinc/08/91/71/488089171.db2.gz QOEIYNIGJNUPCI-CYBMUJFWSA-N 2 0 225.380 0.916 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000236927110 488098320 /nfs/dbraw/zinc/09/83/20/488098320.db2.gz DQUMDWBHQASHRT-SCZZXKLOSA-N 2 0 213.325 0.228 20 0 BCADRP CN(C(=O)CC1([NH3+])CCC1)C1CC[NH2+]CC1 ZINC000237064110 488101833 /nfs/dbraw/zinc/10/18/33/488101833.db2.gz XTSXGPXJWJGBAV-UHFFFAOYSA-N 2 0 225.336 0.468 20 0 BCADRP C1C[NH2+][C@@H](c2noc([C@H]3CCC[NH2+]3)n2)C1 ZINC000258133162 488101787 /nfs/dbraw/zinc/10/17/87/488101787.db2.gz UVCIWAXWAISNDD-HTQZYQBOSA-N 2 0 208.265 0.919 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000237030649 488101811 /nfs/dbraw/zinc/10/18/11/488101811.db2.gz DQUMDWBHQASHRT-WPRPVWTQSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000092951305 488105850 /nfs/dbraw/zinc/10/58/50/488105850.db2.gz UYGWUORBAUBOOA-PWSUYJOCSA-N 2 0 239.363 0.537 20 0 BCADRP CC[NH2+]CCCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000669509141 488108106 /nfs/dbraw/zinc/10/81/06/488108106.db2.gz NIULVFRDQDQITE-NSHDSACASA-N 2 0 227.352 0.634 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669509434 488109906 /nfs/dbraw/zinc/10/99/06/488109906.db2.gz DWGJDRMYDMHGOS-PWSUYJOCSA-N 2 0 227.352 0.762 20 0 BCADRP Cn1ncnc1CN1CCC[C@@H](n2ccnc2)C1 ZINC000674249649 487536490 /nfs/dbraw/zinc/53/64/90/487536490.db2.gz DBDBUQLKZJFGBT-LLVKDONJSA-N 2 0 246.318 0.849 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669509598 488110107 /nfs/dbraw/zinc/11/01/07/488110107.db2.gz FNTFDCRMDIZPEL-HBNTYKKESA-N 2 0 225.336 0.243 20 0 BCADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000516929738 488110928 /nfs/dbraw/zinc/11/09/28/488110928.db2.gz NBRTZNWWMNCGQN-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000669510401 488112178 /nfs/dbraw/zinc/11/21/78/488112178.db2.gz ZTXTXVHJKSQUIT-DGCLKSJQSA-N 2 0 239.363 0.762 20 0 BCADRP C[NH2+]CCNC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000669510388 488112234 /nfs/dbraw/zinc/11/22/34/488112234.db2.gz XJASNFYKJBHNAH-LBPRGKRZSA-N 2 0 235.331 0.282 20 0 BCADRP CCC[NH2+][C@@H](C)C(=O)NCC[NH2+]C1CC1 ZINC000669510309 488112811 /nfs/dbraw/zinc/11/28/11/488112811.db2.gz BMFVHVGEAMOWPL-VIFPVBQESA-N 2 0 213.325 0.243 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000246785038 488114179 /nfs/dbraw/zinc/11/41/79/488114179.db2.gz AALHSEFIKWTECB-VXGBXAGGSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1CCCN(C(=O)C[NH2+]C2CC2)[C@H]1C[NH3+] ZINC000669511338 488114645 /nfs/dbraw/zinc/11/46/45/488114645.db2.gz KNUMQJSLCQIBGY-ONGXEEELSA-N 2 0 225.336 0.324 20 0 BCADRP [NH3+]C[C@H](NC(=O)C[NH2+]C1CC1)C1CCCCC1 ZINC000669511115 488115198 /nfs/dbraw/zinc/11/51/98/488115198.db2.gz SQVMOYAQZIVYIX-LBPRGKRZSA-N 2 0 239.363 0.762 20 0 BCADRP Cc1ccccc1[C@H]([NH3+])C(=O)N(C)CCC[NH3+] ZINC000669511955 488117154 /nfs/dbraw/zinc/11/71/54/488117154.db2.gz OKHLEOFTJFKSPS-LBPRGKRZSA-N 2 0 235.331 0.802 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)CC1([NH3+])CCC1 ZINC000669512520 488118054 /nfs/dbraw/zinc/11/80/54/488118054.db2.gz QFZZODIYRAZHPX-UHFFFAOYSA-N 2 0 227.352 0.892 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000669512440 488118525 /nfs/dbraw/zinc/11/85/25/488118525.db2.gz VOBGOPYMYZEHPT-GWCFXTLKSA-N 2 0 237.347 0.196 20 0 BCADRP CC(C)([NH3+])CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000669512890 488119582 /nfs/dbraw/zinc/11/95/82/488119582.db2.gz JUQIPFXXQATTBI-JTQLQIEISA-N 2 0 225.336 0.467 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000669512650 488119729 /nfs/dbraw/zinc/11/97/29/488119729.db2.gz WJJIVOAGILXPIW-SNVBAGLBSA-N 2 0 229.368 0.803 20 0 BCADRP C[C@H](C[NH3+])NC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000669513946 488122100 /nfs/dbraw/zinc/12/21/00/488122100.db2.gz DYUMSMFUCQLLQZ-GMSGAONNSA-N 2 0 241.722 0.803 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000669514689 488123772 /nfs/dbraw/zinc/12/37/72/488123772.db2.gz ZVIDQKRIHANLEJ-WOPDTQHZSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000669514498 488124014 /nfs/dbraw/zinc/12/40/14/488124014.db2.gz HROGHVXTRUCDPI-VXGBXAGGSA-N 2 0 239.363 0.442 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000669514756 488124615 /nfs/dbraw/zinc/12/46/15/488124615.db2.gz FXHOPNPRUMHKNB-TUAOUCFPSA-N 2 0 241.379 0.816 20 0 BCADRP CC(C)[C@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000669514932 488124648 /nfs/dbraw/zinc/12/46/48/488124648.db2.gz TYKYPDJVCNANCE-VXGBXAGGSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[C@H]1CN(C(=O)[C@@]2(C)CC[NH2+]C2)CC[NH2+]1 ZINC000669514695 488124385 /nfs/dbraw/zinc/12/43/85/488124385.db2.gz ABZBHQDYHMLCAU-YPMHNXCESA-N 2 0 239.363 0.442 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000136807775 488126572 /nfs/dbraw/zinc/12/65/72/488126572.db2.gz YGLGGYISMRPDNS-WDEREUQCSA-N 2 0 237.347 0.196 20 0 BCADRP C[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000669517068 488127535 /nfs/dbraw/zinc/12/75/35/488127535.db2.gz ZCIOUWIGJJLXMI-XVKPBYJWSA-N 2 0 241.722 0.803 20 0 BCADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](C)[NH3+] ZINC000669517737 488129679 /nfs/dbraw/zinc/12/96/79/488129679.db2.gz JSXVIVMFPOWUGJ-BDAKNGLRSA-N 2 0 215.341 0.474 20 0 BCADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)C[NH2+]C1CC1 ZINC000669518627 488130171 /nfs/dbraw/zinc/13/01/71/488130171.db2.gz URTCNVXDGJFLKM-PTRXPTGYSA-N 2 0 225.336 0.241 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000250551002 487529861 /nfs/dbraw/zinc/52/98/61/487529861.db2.gz AEUVMGCPKAYJFZ-NEPJUHHUSA-N 2 0 239.363 0.444 20 0 BCADRP C[C@@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)[NH+](C)C ZINC000674263833 487538645 /nfs/dbraw/zinc/53/86/45/487538645.db2.gz PCMYYCNBNCVSCB-SDDRHHMPSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)C[C@H](C)CN(CC[NH3+])C[C@@H](O)CO ZINC000662288960 487539122 /nfs/dbraw/zinc/53/91/22/487539122.db2.gz WDBHTVLPFSNDIY-NWDGAFQWSA-N 2 0 232.368 0.283 20 0 BCADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@H](C)[NH+](C)C ZINC000674263371 487540441 /nfs/dbraw/zinc/54/04/41/487540441.db2.gz GJOWARLPSVGONC-LBPRGKRZSA-N 2 0 243.395 0.983 20 0 BCADRP O=C(NC[C@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC000237976866 487541931 /nfs/dbraw/zinc/54/19/31/487541931.db2.gz IDGYRKIICWFSNJ-LLVKDONJSA-N 2 0 225.336 0.244 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000094570985 487544573 /nfs/dbraw/zinc/54/45/73/487544573.db2.gz QSJQXJPKBBXJIB-VIFPVBQESA-N 2 0 249.314 0.705 20 0 BCADRP CC(C)[N@H+](C)CCCNC(=O)[C@H](C)[NH+](C)C ZINC000674286731 487546399 /nfs/dbraw/zinc/54/63/99/487546399.db2.gz VOJZEURMVHHAKT-NSHDSACASA-N 2 0 229.368 0.783 20 0 BCADRP C[C@@H]1CCC[N@H+](CCC[NH3+])[C@H]1CCO ZINC000662302276 487546465 /nfs/dbraw/zinc/54/64/65/487546465.db2.gz LRNALSWOWCSAHE-MNOVXSKESA-N 2 0 200.326 0.818 20 0 BCADRP [NH3+]CC1(C(=O)NC[C@H]2CCCC[NH2+]2)CCCC1 ZINC000238007275 487548463 /nfs/dbraw/zinc/54/84/63/487548463.db2.gz YWSAHNNJUSJYAZ-LLVKDONJSA-N 2 0 239.363 0.764 20 0 BCADRP C[C@@H](C(=O)N1CCC([NH+](C)C)CC1)[NH+](C)C ZINC000674287912 487548785 /nfs/dbraw/zinc/54/87/85/487548785.db2.gz RBCSLLNVXKOESJ-JTQLQIEISA-N 2 0 227.352 0.489 20 0 BCADRP CC[C@H]1CN(C(=O)CC[NH2+]C2CC2)CC[C@H]1[NH3+] ZINC000655458609 487471743 /nfs/dbraw/zinc/47/17/43/487471743.db2.gz SGZNPOYVNFILIE-CMPLNLGQSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CC1([NH3+])CCC1 ZINC000237526014 487481515 /nfs/dbraw/zinc/48/15/15/487481515.db2.gz MSXNVWXNGZVWKO-WDEREUQCSA-N 2 0 239.363 0.986 20 0 BCADRP CCN1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000391496146 487481799 /nfs/dbraw/zinc/48/17/99/487481799.db2.gz GXOXIUAVCRINLE-HBNTYKKESA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H](CNC(=O)c1ccccc1CC[NH3+])[NH+](C)C ZINC000070541955 487482214 /nfs/dbraw/zinc/48/22/14/487482214.db2.gz JRXLPPJDELJTSR-NSHDSACASA-N 2 0 249.358 0.868 20 0 BCADRP C[C@@]1(C(=O)NC[C@H]2CCCC[NH2+]2)CC[NH2+]C1 ZINC000237506534 487479411 /nfs/dbraw/zinc/47/94/11/487479411.db2.gz CJPGKSFESCDLCC-ZYHUDNBSSA-N 2 0 225.336 0.244 20 0 BCADRP C[C@@H](C(=O)NC1(C[NH3+])CCCC1)[NH+](C)C ZINC000237610698 487492597 /nfs/dbraw/zinc/49/25/97/487492597.db2.gz SJPDRJPVLAKMJO-VIFPVBQESA-N 2 0 213.325 0.324 20 0 BCADRP C[C@@H](C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C)[NH+](C)C ZINC000237620883 487495232 /nfs/dbraw/zinc/49/52/32/487495232.db2.gz IXMMJYXEPXPYRM-GUBZILKMSA-N 2 0 213.325 0.145 20 0 BCADRP CN(C[C@@H](O)C[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000381218775 487501891 /nfs/dbraw/zinc/50/18/91/487501891.db2.gz GLGXJLWKFZJKBW-RYUDHWBXSA-N 2 0 228.336 0.210 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000381244342 487503064 /nfs/dbraw/zinc/50/30/64/487503064.db2.gz NWLSOILLTIKIDW-IVZWLZJFSA-N 2 0 211.309 0.077 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000381361405 487505025 /nfs/dbraw/zinc/50/50/25/487505025.db2.gz FBJBAKHHXZUXHO-VHSXEESVSA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)CC(C)(C)[NH3+] ZINC000381566950 487512462 /nfs/dbraw/zinc/51/24/62/487512462.db2.gz TWUDGWMBTVGHIT-NSHDSACASA-N 2 0 215.341 0.603 20 0 BCADRP O[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000107153145 487507689 /nfs/dbraw/zinc/50/76/89/487507689.db2.gz NLECTWJKKXZURH-LBPRGKRZSA-N 2 0 212.337 0.833 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449485124 487510231 /nfs/dbraw/zinc/51/02/31/487510231.db2.gz OZBNCVQUJOVSFM-GMTAPVOTSA-N 2 0 227.352 0.761 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)C[C@H](C[NH3+])OC ZINC000232119492 487514747 /nfs/dbraw/zinc/51/47/47/487514747.db2.gz PHBQERNQYDSYGG-LLVKDONJSA-N 2 0 245.367 0.150 20 0 BCADRP COC[C@H](C[NH+]1CCC(C)([NH3+])CC1)OC ZINC000662271553 487517236 /nfs/dbraw/zinc/51/72/36/487517236.db2.gz WPNWYDDYIIKZLL-JTQLQIEISA-N 2 0 216.325 0.461 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000669318241 487520454 /nfs/dbraw/zinc/52/04/54/487520454.db2.gz KLTDLBRHNICBOZ-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP [NH3+]C1(CC(=O)NCCC[NH+]2CCCC2)CCC1 ZINC000094293555 487525362 /nfs/dbraw/zinc/52/53/62/487525362.db2.gz LHKQTWCFDAPQGP-UHFFFAOYSA-N 2 0 239.363 0.860 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000237067377 488149595 /nfs/dbraw/zinc/14/95/95/488149595.db2.gz BUSZKEFACCOWPQ-QWRGUYRKSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@@H]1CCN(C(=O)CC2([NH3+])CCC2)C[C@@H]1C[NH3+] ZINC000669521522 488155077 /nfs/dbraw/zinc/15/50/77/488155077.db2.gz ZKRUVUWJOWDXQV-MNOVXSKESA-N 2 0 239.363 0.701 20 0 BCADRP CCc1nn(C)cc1C[NH2+]C[C@@H](C)C[NH3+] ZINC000379861716 488155146 /nfs/dbraw/zinc/15/51/46/488155146.db2.gz MFRQLWYQERCXNK-VIFPVBQESA-N 2 0 210.325 0.667 20 0 BCADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@H](C)O ZINC000087128331 487611937 /nfs/dbraw/zinc/61/19/37/487611937.db2.gz GWPAPZQOZQQWGC-VWYCJHECSA-N 2 0 212.337 0.830 20 0 BCADRP Nc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000647546826 487965646 /nfs/dbraw/zinc/96/56/46/487965646.db2.gz CXSDAZBYTJZARQ-WDEREUQCSA-N 2 0 220.320 1.023 20 0 BCADRP C[C@H](O)C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000235563263 487980772 /nfs/dbraw/zinc/98/07/72/487980772.db2.gz LOSDDKYUQRBPMB-WDEREUQCSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663499328 488047798 /nfs/dbraw/zinc/04/77/98/488047798.db2.gz VSXKCACDKXCSTH-WYUUTHIRSA-N 2 0 209.337 0.184 20 0 BCADRP CN(CCC[NH3+])C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000378839848 488108945 /nfs/dbraw/zinc/10/89/45/488108945.db2.gz OMUHJNOIXCRJON-VHSXEESVSA-N 2 0 213.325 0.311 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000669520215 488138875 /nfs/dbraw/zinc/13/88/75/488138875.db2.gz AUQAXONOMOSCND-GFCCVEGCSA-N 2 0 247.342 0.336 20 0 BCADRP CCN(CCC[NH+](C)C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000230711198 488141468 /nfs/dbraw/zinc/14/14/68/488141468.db2.gz IIYGUCSXMOMGTR-GFCCVEGCSA-N 2 0 241.379 0.786 20 0 BCADRP CCCN(C(=O)CC(C)(C)[NH3+])[C@@H]1CC[NH2+]C1 ZINC000178900892 488146416 /nfs/dbraw/zinc/14/64/16/488146416.db2.gz PXEXYFGYKJEYEC-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)([NH3+])CC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000669521002 488149299 /nfs/dbraw/zinc/14/92/99/488149299.db2.gz VURZXUOCAYCQHA-UHFFFAOYSA-N 2 0 213.325 0.324 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000237213040 488150405 /nfs/dbraw/zinc/15/04/05/488150405.db2.gz BUSZKEFACCOWPQ-WDEREUQCSA-N 2 0 227.352 0.395 20 0 BCADRP C[C@H]1CCN(C(=O)CC(C)(C)[NH3+])C[C@H]1C[NH3+] ZINC000669521464 488152903 /nfs/dbraw/zinc/15/29/03/488152903.db2.gz OTIUVNAXRRZRBC-VHSXEESVSA-N 2 0 227.352 0.557 20 0 BCADRP C[C@@H](C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])[NH+](C)C ZINC000237398978 488154051 /nfs/dbraw/zinc/15/40/51/488154051.db2.gz FFFJRWMUBVUHDJ-VWYCJHECSA-N 2 0 227.352 0.522 20 0 BCADRP C[C@H]1CCN(C(=O)CC2([NH3+])CCC2)C[C@@H]1C[NH3+] ZINC000669521523 488154502 /nfs/dbraw/zinc/15/45/02/488154502.db2.gz ZKRUVUWJOWDXQV-QWRGUYRKSA-N 2 0 239.363 0.701 20 0 BCADRP C[C@@H]1C[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000085282110 488155756 /nfs/dbraw/zinc/15/57/56/488155756.db2.gz ULZJNONDWMYKID-WISYIIOYSA-N 2 0 210.321 0.705 20 0 BCADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CC(C)(C)[NH3+] ZINC000390526922 488164718 /nfs/dbraw/zinc/16/47/18/488164718.db2.gz HBWBYLQRMGPDCH-DTWKUNHWSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)CC(C)(C)[NH3+])[C@H]1C ZINC000390526928 488164725 /nfs/dbraw/zinc/16/47/25/488164725.db2.gz HBWBYLQRMGPDCH-IUCAKERBSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@@H]([NH3+])CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000669524881 488165559 /nfs/dbraw/zinc/16/55/59/488165559.db2.gz YSUFGCAUACFHPV-NXEZZACHSA-N 2 0 244.383 0.609 20 0 BCADRP CCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH3+])C1 ZINC000389152499 488165627 /nfs/dbraw/zinc/16/56/27/488165627.db2.gz JVXYCAJWLHMYCT-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CC(C)(C)[NH3+] ZINC000390557819 488166508 /nfs/dbraw/zinc/16/65/08/488166508.db2.gz QZSXRSMEQWAWBH-RKDXNWHRSA-N 2 0 213.325 0.452 20 0 BCADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCCCCO ZINC000380077593 488171349 /nfs/dbraw/zinc/17/13/49/488171349.db2.gz DHPDKBZCQNSOSU-CYBMUJFWSA-N 2 0 246.395 0.782 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000380131295 488174620 /nfs/dbraw/zinc/17/46/20/488174620.db2.gz SWAQBDIGVOVWFR-SCZZXKLOSA-N 2 0 201.314 0.213 20 0 BCADRP CN1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000380124607 488175690 /nfs/dbraw/zinc/17/56/90/488175690.db2.gz VHJKRDJWJAFRRL-IVZWLZJFSA-N 2 0 211.309 0.077 20 0 BCADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](C)[NH3+] ZINC000669530263 488178412 /nfs/dbraw/zinc/17/84/12/488178412.db2.gz YETPPTBURUQFSN-MNOVXSKESA-N 2 0 242.367 0.507 20 0 BCADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(=O)N(C)C ZINC000400989056 488179694 /nfs/dbraw/zinc/17/96/94/488179694.db2.gz XAAMZCPETFBCOL-FIQHERPVSA-N 2 0 239.363 0.441 20 0 BCADRP NC(=O)CC1([NH2+]Cc2cnc3n2CCC3)CCC1 ZINC000668002583 488181812 /nfs/dbraw/zinc/18/18/12/488181812.db2.gz WIPSGKBUNQKILS-UHFFFAOYSA-N 2 0 248.330 0.717 20 0 BCADRP O=C(CC[NH2+]C1CC1)NCC[NH+]1CCCC1 ZINC000037478309 488185259 /nfs/dbraw/zinc/18/52/59/488185259.db2.gz YOUFTUGEPMQMCX-UHFFFAOYSA-N 2 0 225.336 0.341 20 0 BCADRP CC(C)[NH2+]CC(=O)NCCC[NH+]1CCCC1 ZINC000037477107 488186532 /nfs/dbraw/zinc/18/65/32/488186532.db2.gz AZGMQIJRGOXYFO-UHFFFAOYSA-N 2 0 227.352 0.587 20 0 BCADRP O=C(CC[NH2+]C1CC1)N[C@H]1CCC[NH2+]CC1 ZINC000655456682 488193710 /nfs/dbraw/zinc/19/37/10/488193710.db2.gz MJSNBWFHVPUIOC-NSHDSACASA-N 2 0 225.336 0.387 20 0 BCADRP [NH3+]C1(CC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000398051518 488197815 /nfs/dbraw/zinc/19/78/15/488197815.db2.gz DNTYCZABSOMGKO-GHMZBOCLSA-N 2 0 237.347 0.611 20 0 BCADRP CC(C)[NH+]1CCC(NC(=O)CC2([NH3+])CC2)CC1 ZINC000398060898 488206283 /nfs/dbraw/zinc/20/62/83/488206283.db2.gz BTMISIRTKJVPQV-UHFFFAOYSA-N 2 0 239.363 0.857 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)CC1([NH3+])CC1 ZINC000398083747 488208591 /nfs/dbraw/zinc/20/85/91/488208591.db2.gz KZVUMKAETFVZGJ-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000398099975 488210527 /nfs/dbraw/zinc/21/05/27/488210527.db2.gz SHAXSVGDQLRADE-NSHDSACASA-N 2 0 237.347 0.565 20 0 BCADRP [NH3+]C1(CC(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000398102596 488210532 /nfs/dbraw/zinc/21/05/32/488210532.db2.gz UEQORJBSOOBIBE-UHFFFAOYSA-N 2 0 237.347 0.422 20 0 BCADRP C[C@@H](NC(=O)CC1([NH3+])CC1)C1CC[NH+](C)CC1 ZINC000398118672 488211183 /nfs/dbraw/zinc/21/11/83/488211183.db2.gz AFEZRMSRKWNTRP-SNVBAGLBSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]C1(CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000398109414 488211320 /nfs/dbraw/zinc/21/13/20/488211320.db2.gz WSUIFRNTOWYCSV-MNOVXSKESA-N 2 0 237.347 0.611 20 0 BCADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)CC1([NH3+])CC1 ZINC000398141963 488212224 /nfs/dbraw/zinc/21/22/24/488212224.db2.gz APQVLMMRPDSJCZ-SNVBAGLBSA-N 2 0 225.336 0.468 20 0 BCADRP CC[N@@H+]1CCC[C@H]1CNC(=O)CC1([NH3+])CC1 ZINC000398141957 488212246 /nfs/dbraw/zinc/21/22/46/488212246.db2.gz APQVLMMRPDSJCZ-JTQLQIEISA-N 2 0 225.336 0.468 20 0 BCADRP [NH3+]C1(CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000398242573 488215639 /nfs/dbraw/zinc/21/56/39/488215639.db2.gz ZZFWGNOSXANRCR-VIFPVBQESA-N 2 0 223.320 0.221 20 0 BCADRP C[N@H+]1C[C@H]2CN(Cc3cn[nH]c3)C[C@H]2C1 ZINC000683843904 488231004 /nfs/dbraw/zinc/23/10/04/488231004.db2.gz HFLDOSWNJYXEIH-PHIMTYICSA-N 2 0 206.293 0.403 20 0 BCADRP Cn1ncnc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000683888858 488236125 /nfs/dbraw/zinc/23/61/25/488236125.db2.gz AGGGXLFEMTVWKV-UHFFFAOYSA-N 2 0 237.351 0.778 20 0 BCADRP CC[NH+](CC)CC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000683909133 488243059 /nfs/dbraw/zinc/24/30/59/488243059.db2.gz MXWNYNOMZWOTCV-UHFFFAOYSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000684572142 488328422 /nfs/dbraw/zinc/32/84/22/488328422.db2.gz FMXNYHBJTZMPIE-NSHDSACASA-N 2 0 221.304 0.584 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662395898 490065248 /nfs/dbraw/zinc/06/52/48/490065248.db2.gz LMLVTXSKSZSVLW-NSHDSACASA-N 2 0 245.326 0.724 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662406523 490066685 /nfs/dbraw/zinc/06/66/85/490066685.db2.gz GCVXPHQWRZZWED-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C(C)(C)O ZINC000382862347 490138909 /nfs/dbraw/zinc/13/89/09/490138909.db2.gz MVHZEWNSAJOUDN-VXGBXAGGSA-N 2 0 246.395 0.779 20 0 BCADRP CC[NH2+]CCNC(=O)NCC([NH3+])(CC)CC ZINC000418316646 490145790 /nfs/dbraw/zinc/14/57/90/490145790.db2.gz KTRBWPFNHSCBPZ-UHFFFAOYSA-N 2 0 230.356 0.413 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000566198899 490203699 /nfs/dbraw/zinc/20/36/99/490203699.db2.gz GOMYEXJGEBWKMP-DCAQKATOSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@@H](C(=O)NCCC[NH+]1CCCCC1)[NH+](C)C ZINC000078655112 490211567 /nfs/dbraw/zinc/21/15/67/490211567.db2.gz KJMFHPKIJVYDLD-LBPRGKRZSA-N 2 0 241.379 0.929 20 0 BCADRP C[C@@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)[NH+](C)C ZINC000078691224 490217940 /nfs/dbraw/zinc/21/79/40/490217940.db2.gz ZYKRNFSAAPFXRN-ONGXEEELSA-N 2 0 227.352 0.393 20 0 BCADRP C[C@H](CC(=O)N1CC[C@H]([NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000152364723 490309109 /nfs/dbraw/zinc/30/91/09/490309109.db2.gz KLFTYWYAYAKFCW-WOPDTQHZSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000178807482 490355052 /nfs/dbraw/zinc/35/50/52/490355052.db2.gz FNXFNKZMTPKMDM-JLLWLGSASA-N 2 0 239.363 0.700 20 0 BCADRP C[N@H+](CCn1ccnc1)C[C@H](O)C1CC1 ZINC000305632304 490466929 /nfs/dbraw/zinc/46/69/29/490466929.db2.gz MZUUVYLVJYQKDF-NSHDSACASA-N 2 0 209.293 0.586 20 0 BCADRP C[N@H+](CCn1ccnc1)C[C@@H](O)C1CC1 ZINC000305632302 490467662 /nfs/dbraw/zinc/46/76/62/490467662.db2.gz MZUUVYLVJYQKDF-LLVKDONJSA-N 2 0 209.293 0.586 20 0 BCADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000126569004 490505498 /nfs/dbraw/zinc/50/54/98/490505498.db2.gz WXQLVJWZSXRWKN-ZDUSSCGKSA-N 2 0 247.342 0.840 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000162246809 490586683 /nfs/dbraw/zinc/58/66/83/490586683.db2.gz AUMJZGRWEOHEPW-GMXVVIOVSA-N 2 0 239.363 0.905 20 0 BCADRP OCC[C@@H]1CSCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000393776555 490689416 /nfs/dbraw/zinc/68/94/16/490689416.db2.gz YGMGWICYUNKRQU-GHMZBOCLSA-N 2 0 230.377 0.396 20 0 BCADRP CC[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000305097717 491063196 /nfs/dbraw/zinc/06/31/96/491063196.db2.gz VTXSDPRZPNKZDP-CYBMUJFWSA-N 2 0 235.331 0.975 20 0 BCADRP C[NH+](C)C/C=C/C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000491849945 491080876 /nfs/dbraw/zinc/08/08/76/491080876.db2.gz XALZESZJGYBWOV-UFFNRZRYSA-N 2 0 237.347 0.457 20 0 BCADRP C[C@H](CC(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000247335543 491089195 /nfs/dbraw/zinc/08/91/95/491089195.db2.gz VXZQZZVEQCONOK-GRYCIOLGSA-N 2 0 239.363 0.490 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)C1(C)C[NH2+]C1 ZINC000653215661 491128403 /nfs/dbraw/zinc/12/84/03/491128403.db2.gz WEGOZJZGMXLNQJ-UHFFFAOYSA-N 2 0 247.342 0.632 20 0 BCADRP [NH3+]CC1(CCNC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000653215789 491128413 /nfs/dbraw/zinc/12/84/13/491128413.db2.gz AZFNEQUZEYIPQT-JTQLQIEISA-N 2 0 225.336 0.374 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCC[NH2+]1 ZINC000049559638 491128809 /nfs/dbraw/zinc/12/88/09/491128809.db2.gz FBUWNCOUGCVJLM-NXEZZACHSA-N 2 0 213.325 0.195 20 0 BCADRP C[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000130673245 491129242 /nfs/dbraw/zinc/12/92/42/491129242.db2.gz ZWSRYWUTIITEOR-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP C[C@H]([NH2+]C[C@]1(O)CCOC1)C1CC[NH+](C)CC1 ZINC000090849906 491129891 /nfs/dbraw/zinc/12/98/91/491129891.db2.gz AFADXRHYAUWIJG-WCQYABFASA-N 2 0 242.363 0.458 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000082303080 491142701 /nfs/dbraw/zinc/14/27/01/491142701.db2.gz HIJCGCHIPNZZHV-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP C[C@H](CO)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000083218496 491160613 /nfs/dbraw/zinc/16/06/13/491160613.db2.gz BCBCPKICNSPIIH-QWRGUYRKSA-N 2 0 214.353 0.935 20 0 BCADRP C[C@@H]([NH2+]C[C@H](C)CO)C1CC[NH+](C)CC1 ZINC000083218501 491160641 /nfs/dbraw/zinc/16/06/41/491160641.db2.gz BCBCPKICNSPIIH-WDEREUQCSA-N 2 0 214.353 0.935 20 0 BCADRP C[C@H](NCC[N@H+]1CC=CCC1)[C@H]1CCC[NH2+]1 ZINC000400367318 533856515 /nfs/dbraw/zinc/85/65/15/533856515.db2.gz SEFZBOJMUSTQNM-QWHCGFSZSA-N 2 0 223.364 0.978 20 0 BCADRP COC(=O)N1CC([NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000496434275 533933078 /nfs/dbraw/zinc/93/30/78/533933078.db2.gz DYUIJXNOOLQIJD-JGVFFNPUSA-N 2 0 215.297 0.152 20 0 BCADRP COC(=O)N1CC([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000497087374 533935052 /nfs/dbraw/zinc/93/50/52/533935052.db2.gz CVYXVFYXMLASSH-ONGXEEELSA-N 2 0 241.335 0.544 20 0 BCADRP COC(=O)N1CCC([NH2+][C@H](C)C[C@H](C)[NH3+])CC1 ZINC000496652349 533948414 /nfs/dbraw/zinc/94/84/14/533948414.db2.gz WIQNFWARBVNZPE-VHSXEESVSA-N 2 0 243.351 0.933 20 0 BCADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@H+](C)C2)CC[NH2+]1 ZINC000478920534 534071504 /nfs/dbraw/zinc/07/15/04/534071504.db2.gz ADBNJBKMMCRFDJ-TUAOUCFPSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1[NH2+]CCN(C(=O)CC[C@@H]2CCC[NH2+]2)[C@H]1C ZINC000494660666 534124978 /nfs/dbraw/zinc/12/49/78/534124978.db2.gz GGZQTZVBUQHMRD-SRVKXCTJSA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000891970032 582749523 /nfs/dbraw/zinc/74/95/23/582749523.db2.gz BPFLKTPFPDXZBK-VWYCJHECSA-N 2 0 240.351 0.260 20 0 BCADRP CC1(C)CC[C@H](CNC(=O)NCC[NH3+])[NH2+]C1 ZINC000891975473 582751621 /nfs/dbraw/zinc/75/16/21/582751621.db2.gz AOMMFUAJDCMUKQ-SECBINFHSA-N 2 0 228.340 0.023 20 0 BCADRP CC[NH2+]CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891997183 582757124 /nfs/dbraw/zinc/75/71/24/582757124.db2.gz WPTRGMTXRCVUFZ-GHMZBOCLSA-N 2 0 240.351 0.132 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000892044983 582772152 /nfs/dbraw/zinc/77/21/52/582772152.db2.gz QSFBMNLSGUUGPJ-JFGNBEQYSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000892055260 582777735 /nfs/dbraw/zinc/77/77/35/582777735.db2.gz IOBPYRYPQFMJGR-MNOVXSKESA-N 2 0 242.367 0.637 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)NC1(C[NH3+])CCCCC1 ZINC000892144325 582799376 /nfs/dbraw/zinc/79/93/76/582799376.db2.gz VAZISOCDOBCOKX-UWVGGRQHSA-N 2 0 242.367 0.683 20 0 BCADRP C[NH2+]C[C@H]1CCCCN1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000892143643 582799777 /nfs/dbraw/zinc/79/97/77/582799777.db2.gz FDPLYGZAQFZCRT-HBNTYKKESA-N 2 0 242.367 0.506 20 0 BCADRP CC[C@@H](CNC1=[NH+]C[C@H](C)N1)[NH+]1CCCC1 ZINC000848986417 582816907 /nfs/dbraw/zinc/81/69/07/582816907.db2.gz PWOMAOGOMOZNFV-QWRGUYRKSA-N 2 0 224.352 0.798 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000892282145 582826711 /nfs/dbraw/zinc/82/67/11/582826711.db2.gz YBYDZPXKXBIFDQ-VPOLOUISSA-N 2 0 240.351 0.258 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261933190 536357064 /nfs/dbraw/zinc/35/70/64/536357064.db2.gz BVNHFHZPULGJMU-QJPTWQEYSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892430753 582885705 /nfs/dbraw/zinc/88/57/05/582885705.db2.gz OHKYTDAQGAJHOX-DCAQKATOSA-N 2 0 242.367 0.493 20 0 BCADRP C[NH2+]CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000335903991 536441933 /nfs/dbraw/zinc/44/19/33/536441933.db2.gz YZPZBJFDRVUAMJ-UHFFFAOYSA-N 2 0 237.278 0.629 20 0 BCADRP CC[N@@H+]1CC[C@@H](NC(=O)/C=C/C[NH+](C)C)C1 ZINC000493062131 527759669 /nfs/dbraw/zinc/75/96/69/527759669.db2.gz ZKWIPNPDBRIZDV-MVIFTORASA-N 2 0 225.336 0.315 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)/C=C/C[NH+](C)C ZINC000492172050 528073750 /nfs/dbraw/zinc/07/37/50/528073750.db2.gz UIUBQVRCAAWKFB-BQYQJAHWSA-N 2 0 241.379 0.904 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000493937164 528347143 /nfs/dbraw/zinc/34/71/43/528347143.db2.gz NZAVLNHSGDTWOD-MNOVXSKESA-N 2 0 229.368 0.818 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)[NH+](C)C ZINC000484693702 528355331 /nfs/dbraw/zinc/35/53/31/528355331.db2.gz HWMLFGWYIYLFQT-UTUOFQBUSA-N 2 0 241.379 0.768 20 0 BCADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000484693700 528356286 /nfs/dbraw/zinc/35/62/86/528356286.db2.gz HWMLFGWYIYLFQT-TUAOUCFPSA-N 2 0 241.379 0.768 20 0 BCADRP CC[N@H+](CCNC(=O)[C@@H](C)[C@H](C)[NH3+])C(C)C ZINC000493888493 528498937 /nfs/dbraw/zinc/49/89/37/528498937.db2.gz NKFORGRJAUHWLJ-QWRGUYRKSA-N 2 0 229.368 0.816 20 0 BCADRP CON(C)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000850479842 582920198 /nfs/dbraw/zinc/92/01/98/582920198.db2.gz DGDGCNFOKSFBAU-QWRGUYRKSA-N 2 0 215.341 0.552 20 0 BCADRP CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000224045477 535044002 /nfs/dbraw/zinc/04/40/02/535044002.db2.gz HHPWQHLPGUFKJT-MNOVXSKESA-N 2 0 227.352 0.714 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000261547714 535046801 /nfs/dbraw/zinc/04/68/01/535046801.db2.gz MQHJZGMYNYXLLS-VIFPVBQESA-N 2 0 215.341 0.413 20 0 BCADRP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH3+])[NH+](C)C ZINC000262543898 535135919 /nfs/dbraw/zinc/13/59/19/535135919.db2.gz YFDFDBCMHPWVHK-UWVGGRQHSA-N 2 0 215.341 0.426 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000166637957 535224120 /nfs/dbraw/zinc/22/41/20/535224120.db2.gz UOFLHIKMAGHYHQ-GFCCVEGCSA-N 2 0 241.379 0.977 20 0 BCADRP CCCN(C(=O)[C@]1(F)CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000178936458 535237301 /nfs/dbraw/zinc/23/73/01/535237301.db2.gz TZSXOGIPZKAYEV-JQWIXIFHSA-N 2 0 243.326 0.289 20 0 BCADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000334967673 535296062 /nfs/dbraw/zinc/29/60/62/535296062.db2.gz PWSYFAVALNMRLC-LLVKDONJSA-N 2 0 239.363 0.633 20 0 BCADRP CC(C)C[C@H]([NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335626409 535315973 /nfs/dbraw/zinc/31/59/73/535315973.db2.gz DOKJUQNLMVHZEX-JTQLQIEISA-N 2 0 227.352 0.570 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C[NH2+]CC1CC1 ZINC000262588429 535353017 /nfs/dbraw/zinc/35/30/17/535353017.db2.gz AWGKNELTBHIXTN-NSHDSACASA-N 2 0 227.352 0.620 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)C[NH+](C)C ZINC000167997756 535353116 /nfs/dbraw/zinc/35/31/16/535353116.db2.gz WEFDYRJEHYPOLU-VIFPVBQESA-N 2 0 201.314 0.182 20 0 BCADRP CC[C@@H](C(=O)NCC1C[NH2+]C1)[NH+](CC)CC ZINC000261939733 535407434 /nfs/dbraw/zinc/40/74/34/535407434.db2.gz GJMKSZXXAJCFGQ-NSHDSACASA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH+]1CCC(CCNC(=O)CCC[NH3+])CC1 ZINC000168714146 535447075 /nfs/dbraw/zinc/44/70/75/535447075.db2.gz CAPAQORUQCWRMZ-UHFFFAOYSA-N 2 0 241.379 0.964 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263192703 535474901 /nfs/dbraw/zinc/47/49/01/535474901.db2.gz IDDXLYVEPFMKNR-JQWIXIFHSA-N 2 0 227.352 0.620 20 0 BCADRP CC[N@@H+]1CCCC[C@@H]1CNC1=[NH+]CCCN1 ZINC000262329369 535491739 /nfs/dbraw/zinc/49/17/39/535491739.db2.gz UVZPTKQODSXFDS-LLVKDONJSA-N 2 0 224.352 0.800 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C1([NH3+])CCCC1 ZINC000261544275 535510992 /nfs/dbraw/zinc/51/09/92/535510992.db2.gz IUZMNPRVEFVGBK-SECBINFHSA-N 2 0 213.325 0.372 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC000262473061 535512620 /nfs/dbraw/zinc/51/26/20/535512620.db2.gz PKZMBQHIXVSCKQ-SNVBAGLBSA-N 2 0 215.341 0.441 20 0 BCADRP CCC[C@@](C)([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000261540092 535525960 /nfs/dbraw/zinc/52/59/60/535525960.db2.gz DSEUYHIBXKHQSY-MWLCHTKSSA-N 2 0 213.325 0.324 20 0 BCADRP CCC[C@H](C(=O)NCC1([NH3+])CCC1)[NH+](C)C ZINC000342667397 535582045 /nfs/dbraw/zinc/58/20/45/535582045.db2.gz RULSNLRORCCMFZ-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351759492 535759456 /nfs/dbraw/zinc/75/94/56/535759456.db2.gz CZDRLDBUXHSZLY-UMNHJUIQSA-N 2 0 227.352 0.700 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CCC(=O)N(C)C)[C@H](C)C1 ZINC000178293390 535768473 /nfs/dbraw/zinc/76/84/73/535768473.db2.gz XUDWYTXXJQBJFB-NEPJUHHUSA-N 2 0 241.379 0.785 20 0 BCADRP CC[C@]1(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CCC[NH2+]1 ZINC000262780812 535882123 /nfs/dbraw/zinc/88/21/23/535882123.db2.gz MDDQIKMODLIJFD-NTZNESFSSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH+](C)C[C@H]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000335369768 535964125 /nfs/dbraw/zinc/96/41/25/535964125.db2.gz YSFSYYWXLCDEPK-DGCLKSJQSA-N 2 0 239.363 0.396 20 0 BCADRP CC[C@@]1(C(=O)N(C)CC[NH2+]C)CC[NH2+]C1 ZINC000069803138 536023689 /nfs/dbraw/zinc/02/36/89/536023689.db2.gz ZGYRAUQRZHOEKW-LLVKDONJSA-N 2 0 213.325 0.054 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261629379 536110378 /nfs/dbraw/zinc/11/03/78/536110378.db2.gz BPRAAHAFRSWKTD-WDEREUQCSA-N 2 0 241.379 0.960 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000261539374 536138078 /nfs/dbraw/zinc/13/80/78/536138078.db2.gz CFWLOFHQSLGMMN-LPEHRKFASA-N 2 0 213.325 0.310 20 0 BCADRP CC[C@H]([NH3+])C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178407634 536138815 /nfs/dbraw/zinc/13/88/15/536138815.db2.gz KTOCGPZEHXOOQX-SCZZXKLOSA-N 2 0 213.325 0.310 20 0 BCADRP C[NH+]1CCC(NC(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000335653516 536342311 /nfs/dbraw/zinc/34/23/11/536342311.db2.gz KKKGFPLKHRDDIN-NSHDSACASA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000252656574 536359146 /nfs/dbraw/zinc/35/91/46/536359146.db2.gz HWMLXEOHXXPZQP-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+][C@@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261547972 536362189 /nfs/dbraw/zinc/36/21/89/536362189.db2.gz MXUHLNBJWRWGRC-NEPJUHHUSA-N 2 0 211.353 0.670 20 0 BCADRP CN(CC[NH3+])C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000334961153 536367449 /nfs/dbraw/zinc/36/74/49/536367449.db2.gz NEAVIXQIRJURTN-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP CN(CC[NH3+])C(=O)c1ccc2c[nH+]cn2c1 ZINC000335655681 536367483 /nfs/dbraw/zinc/36/74/83/536367483.db2.gz GTACMVZZKSQTTC-UHFFFAOYSA-N 2 0 218.260 0.365 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000263097300 536372753 /nfs/dbraw/zinc/37/27/53/536372753.db2.gz ZCBGCLPHVSNMJL-NTZNESFSSA-N 2 0 239.363 0.714 20 0 BCADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CCC[NH3+])CC[C@H]21 ZINC000227332811 536377609 /nfs/dbraw/zinc/37/76/09/536377609.db2.gz WZHVFZNZYJITFH-VXGBXAGGSA-N 2 0 239.363 0.668 20 0 BCADRP CO[C@H](C[NH3+])CC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000262893804 536569962 /nfs/dbraw/zinc/56/99/62/536569962.db2.gz OVHHYWVCYAOWLM-JQWIXIFHSA-N 2 0 245.367 0.230 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000562977542 566330780 /nfs/dbraw/zinc/33/07/80/566330780.db2.gz FZGWZMVMLHWQAV-MNOVXSKESA-N 2 0 227.352 0.490 20 0 BCADRP COC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000394608493 582996864 /nfs/dbraw/zinc/99/68/64/582996864.db2.gz RBRVVGJTQAATFE-YNEHKIRRSA-N 2 0 242.363 0.600 20 0 BCADRP C[C@H]1CN(C(=O)NCCC(C)(C)[NH3+])CC[C@H]1[NH3+] ZINC000892851202 582996330 /nfs/dbraw/zinc/99/63/30/582996330.db2.gz QWGYIJLPHAPCKP-VHSXEESVSA-N 2 0 242.367 0.493 20 0 BCADRP CC(=O)OC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000892947245 583015099 /nfs/dbraw/zinc/01/50/99/583015099.db2.gz ZZJKBSDDGKYXIP-JQWIXIFHSA-N 2 0 228.336 0.869 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000852826380 583018084 /nfs/dbraw/zinc/01/80/84/583018084.db2.gz GYRZUUZRRNMPME-NSHDSACASA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852896589 583021708 /nfs/dbraw/zinc/02/17/08/583021708.db2.gz FJGIDZMARNJJLG-PWSUYJOCSA-N 2 0 237.347 0.634 20 0 BCADRP C[C@H]([NH3+])CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000857253087 583136392 /nfs/dbraw/zinc/13/63/92/583136392.db2.gz GVEMFKUUTZGUNC-JTQLQIEISA-N 2 0 228.336 0.999 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000877438177 583313447 /nfs/dbraw/zinc/31/34/47/583313447.db2.gz JMYADZMLIHDPCV-UTUOFQBUSA-N 2 0 239.363 0.714 20 0 BCADRP CC(C)CNC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000111612033 588764579 /nfs/dbraw/zinc/76/45/79/588764579.db2.gz WIZBVISUSGYIDU-NSHDSACASA-N 2 0 241.379 0.818 20 0 BCADRP COC(=O)N(C)CC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000854228317 588780837 /nfs/dbraw/zinc/78/08/37/588780837.db2.gz VANJCNZEEVNBBV-IUCAKERBSA-N 2 0 215.297 0.154 20 0 BCADRP C[NH+](C)CCONC(=O)CC1CC[NH+](C)CC1 ZINC000854945488 588818148 /nfs/dbraw/zinc/81/81/48/588818148.db2.gz JYJQQKGHFSZNIK-UHFFFAOYSA-N 2 0 243.351 0.328 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000891438375 582685481 /nfs/dbraw/zinc/68/54/81/582685481.db2.gz QKVZAIHINBYQHR-GMTAPVOTSA-N 2 0 240.351 0.212 20 0 BCADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891450377 582689492 /nfs/dbraw/zinc/68/94/92/582689492.db2.gz HEOJJGYXMGFRFZ-MXWKQRLJSA-N 2 0 242.367 0.363 20 0 BCADRP C[N@H+](CCNC(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000891547282 582695588 /nfs/dbraw/zinc/69/55/88/582695588.db2.gz ZPWUZGFCPVAJSE-MGCOHNPYSA-N 2 0 240.351 0.117 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000891970331 582749772 /nfs/dbraw/zinc/74/97/72/582749772.db2.gz FBICCBGGUYAWTO-GMTAPVOTSA-N 2 0 240.351 0.165 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000891970029 582749818 /nfs/dbraw/zinc/74/98/18/582749818.db2.gz BPFLKTPFPDXZBK-GMTAPVOTSA-N 2 0 240.351 0.260 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000891972301 582750298 /nfs/dbraw/zinc/75/02/98/582750298.db2.gz CSANPLYLAYYNCL-JTQLQIEISA-N 2 0 242.367 0.555 20 0 BCADRP [NH3+]C[C@H]1CCCN1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000891981001 582751929 /nfs/dbraw/zinc/75/19/29/582751929.db2.gz ZCEATQWXAODGCB-WDEREUQCSA-N 2 0 240.351 0.119 20 0 BCADRP [NH3+]CCCNC(=O)NC1(C[NH3+])CCCCC1 ZINC000891985353 582752466 /nfs/dbraw/zinc/75/24/66/582752466.db2.gz ACCMYERLEBVBDF-UHFFFAOYSA-N 2 0 228.340 0.296 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891986753 582753766 /nfs/dbraw/zinc/75/37/66/582753766.db2.gz MDSCYBJGHMROQF-MNOVXSKESA-N 2 0 242.367 0.506 20 0 BCADRP [NH3+]CC1(NC(=O)N[C@@H]2CC[NH2+]C2)CCCCC1 ZINC000892003583 582759049 /nfs/dbraw/zinc/75/90/49/582759049.db2.gz WSWSGKIQESZLGS-SNVBAGLBSA-N 2 0 240.351 0.309 20 0 BCADRP CCC1([NH3+])CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000892006585 582760020 /nfs/dbraw/zinc/76/00/20/582760020.db2.gz JHJZTLLHCPTROK-JTQLQIEISA-N 2 0 240.351 0.261 20 0 BCADRP [NH3+]C1CCC(NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000892021917 582763411 /nfs/dbraw/zinc/76/34/11/582763411.db2.gz NTBBILKZDHXCRA-NGXUNHMNSA-N 2 0 240.351 0.293 20 0 BCADRP CCN(C(=O)N[C@H](C[NH3+])C1CC1)[C@H]1CC[NH2+]C1 ZINC000892029359 582766325 /nfs/dbraw/zinc/76/63/25/582766325.db2.gz VBGTTZCFGKKWOY-WDEREUQCSA-N 2 0 240.351 0.117 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892036968 582769344 /nfs/dbraw/zinc/76/93/44/582769344.db2.gz SHUZZTRSRWQXOT-AOOOYVTPSA-N 2 0 242.367 0.540 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000892037682 582769620 /nfs/dbraw/zinc/76/96/20/582769620.db2.gz JIVKBTRJHHBQRX-HBNTYKKESA-N 2 0 242.367 0.491 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892045997 582771374 /nfs/dbraw/zinc/77/13/74/582771374.db2.gz YENROQRWVRYUAC-MXWKQRLJSA-N 2 0 240.351 0.117 20 0 BCADRP CCC1([NH3+])CCN(C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000892052632 582775608 /nfs/dbraw/zinc/77/56/08/582775608.db2.gz DHTJQYOVBSBGBD-JTQLQIEISA-N 2 0 242.367 0.637 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)NCCC(C)(C)[NH3+] ZINC000892052711 582775737 /nfs/dbraw/zinc/77/57/37/582775737.db2.gz FIJGDWZJCQVFMC-QMMMGPOBSA-N 2 0 216.329 0.150 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892052718 582776185 /nfs/dbraw/zinc/77/61/85/582776185.db2.gz FJLJIONLJVKGQK-SCVCMEIPSA-N 2 0 240.351 0.308 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000892061418 582779943 /nfs/dbraw/zinc/77/99/43/582779943.db2.gz HYJAFIFCKVSMHP-GMTAPVOTSA-N 2 0 240.351 0.069 20 0 BCADRP C[C@H](C[NH3+])NC(=O)N(C)CCCCCC[NH3+] ZINC000892063160 582780860 /nfs/dbraw/zinc/78/08/60/582780860.db2.gz XKGWUDVGNISZMR-SNVBAGLBSA-N 2 0 230.356 0.494 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892078155 582786942 /nfs/dbraw/zinc/78/69/42/582786942.db2.gz MXIITSVYEQVZPG-UKKRHICBSA-N 2 0 240.351 0.021 20 0 BCADRP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892101085 582791623 /nfs/dbraw/zinc/79/16/23/582791623.db2.gz BRBDXVHYOMWJHM-UWVGGRQHSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000892139393 582798481 /nfs/dbraw/zinc/79/84/81/582798481.db2.gz AVBXJKYTVXARIA-MNOVXSKESA-N 2 0 242.367 0.637 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000892139394 582798695 /nfs/dbraw/zinc/79/86/95/582798695.db2.gz AVBXJKYTVXARIA-QWRGUYRKSA-N 2 0 242.367 0.637 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000892139897 582798773 /nfs/dbraw/zinc/79/87/73/582798773.db2.gz UQGOBURQPUBHHX-OPRDCNLKSA-N 2 0 228.340 0.245 20 0 BCADRP C[C@@H](CCC[NH3+])NC(=O)NCCC(C)(C)[NH3+] ZINC000892141929 582799100 /nfs/dbraw/zinc/79/91/00/582799100.db2.gz SUKVAFYMPLRORU-VIFPVBQESA-N 2 0 230.356 0.540 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(C)CCCCCC[NH3+] ZINC000892144060 582799926 /nfs/dbraw/zinc/79/99/26/582799926.db2.gz HJOUVEZWNHPBDD-GHMZBOCLSA-N 2 0 244.383 0.883 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000892144139 582800673 /nfs/dbraw/zinc/80/06/73/582800673.db2.gz HXIMZERWRDGTIR-LPEHRKFASA-N 2 0 228.340 0.245 20 0 BCADRP CCC1([NH3+])CCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000892145138 582800785 /nfs/dbraw/zinc/80/07/85/582800785.db2.gz KZFWUWSIHQTXPK-ZJUUUORDSA-N 2 0 242.367 0.635 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cncnc2)C1 ZINC000848562078 582803655 /nfs/dbraw/zinc/80/36/55/582803655.db2.gz HAXSRPUUFZOCJA-KLPPZKSPSA-N 2 0 220.320 0.906 20 0 BCADRP CC(C)([NH3+])CCNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000892175629 582805214 /nfs/dbraw/zinc/80/52/14/582805214.db2.gz MMPGRMRBUCZDAM-NXEZZACHSA-N 2 0 242.367 0.540 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCC1(C[NH3+])CC1 ZINC000892221428 582809012 /nfs/dbraw/zinc/80/90/12/582809012.db2.gz WPPKUHMQSLACPW-UWVGGRQHSA-N 2 0 240.351 0.247 20 0 BCADRP CC(C)NC(=[NH2+])NCC[N@@H+]1CC[C@H](C)C1 ZINC000849004176 582821911 /nfs/dbraw/zinc/82/19/11/582821911.db2.gz DNPLQPUJGSVXDZ-JTQLQIEISA-N 2 0 212.341 0.851 20 0 BCADRP CC[C@H](C)NC(=[NH2+])NC[C@H]1C[N@H+](C)CCN1C ZINC000849008212 582822072 /nfs/dbraw/zinc/82/20/72/582822072.db2.gz YQFOVCDJYOHUEO-QWRGUYRKSA-N 2 0 241.383 0.145 20 0 BCADRP CN(C[C@@H]1C[NH2+]CCO1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000125497603 582825234 /nfs/dbraw/zinc/82/52/34/582825234.db2.gz QRRVDIPLRQEWPH-OLZOCXBDSA-N 2 0 239.363 0.143 20 0 BCADRP CN(CC[NH3+])C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000892383666 582873854 /nfs/dbraw/zinc/87/38/54/582873854.db2.gz GMJLPJVLTKJVKN-SNVBAGLBSA-N 2 0 242.367 0.365 20 0 BCADRP CCN(CC[NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892433436 582886896 /nfs/dbraw/zinc/88/68/96/582886896.db2.gz DPWJIIUHZAOQBL-XYPYZODXSA-N 2 0 242.367 0.494 20 0 BCADRP CC(C)(C[NH3+])NC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892455531 582891945 /nfs/dbraw/zinc/89/19/45/582891945.db2.gz FFOSPLKPDHZOQW-UHFFFAOYSA-N 2 0 240.351 0.389 20 0 BCADRP CN(CC[NH3+])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892486458 582897552 /nfs/dbraw/zinc/89/75/52/582897552.db2.gz OVOQUUYKWRFYEF-SNVBAGLBSA-N 2 0 242.367 0.365 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000892568216 582915354 /nfs/dbraw/zinc/91/53/54/582915354.db2.gz SOTSSQNNAKNALF-DCAQKATOSA-N 2 0 240.351 0.117 20 0 BCADRP CC(=O)OC[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000892762527 582977731 /nfs/dbraw/zinc/97/77/31/582977731.db2.gz BCXHWMWCXODRHK-VHSXEESVSA-N 2 0 216.325 0.868 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCC(C)(C)[NH3+])C1 ZINC000892850989 582996240 /nfs/dbraw/zinc/99/62/40/582996240.db2.gz QRJCNKDYQDZGKL-NXEZZACHSA-N 2 0 242.367 0.493 20 0 BCADRP CN(CCC[NH+](C)C)C(=O)NCCC(C)(C)[NH3+] ZINC000892855867 582997714 /nfs/dbraw/zinc/99/77/14/582997714.db2.gz XFEMLUXHGOITHO-UHFFFAOYSA-N 2 0 244.383 0.707 20 0 BCADRP CCC1([NH3+])CCN(C(=O)N(C)CC[NH2+]C)CC1 ZINC000892933964 583011887 /nfs/dbraw/zinc/01/18/87/583011887.db2.gz VRPHYSSTRLBSLT-UHFFFAOYSA-N 2 0 242.367 0.461 20 0 BCADRP CC(=O)OC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000892947247 583016372 /nfs/dbraw/zinc/01/63/72/583016372.db2.gz ZZJKBSDDGKYXIP-PWSUYJOCSA-N 2 0 228.336 0.869 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)NC[C@@H]1CCCC[NH2+]1 ZINC000852794827 583017369 /nfs/dbraw/zinc/01/73/69/583017369.db2.gz TYWOKIASUROFBU-LBPRGKRZSA-N 2 0 237.347 0.555 20 0 BCADRP C[C@@H](CCCCO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000398358503 583128323 /nfs/dbraw/zinc/12/83/23/583128323.db2.gz CLILZYSLBDOBNV-STQMWFEESA-N 2 0 244.379 0.584 20 0 BCADRP CCn1ncc(CN2CCC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000857084696 588886539 /nfs/dbraw/zinc/88/65/39/588886539.db2.gz XWOVINBMRGDXTD-QWRGUYRKSA-N 2 0 237.351 0.857 20 0 BCADRP CCn1ncc(CN2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000857084432 588886587 /nfs/dbraw/zinc/88/65/87/588886587.db2.gz SLVFPKYSNOYDOG-UWVGGRQHSA-N 2 0 223.324 0.467 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000857103976 588887729 /nfs/dbraw/zinc/88/77/29/588887729.db2.gz HNWDTZIUFWGZFL-DCAQKATOSA-N 2 0 242.367 0.411 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NCCC1=CC[NH2+]CC1 ZINC000857103383 588887892 /nfs/dbraw/zinc/88/78/92/588887892.db2.gz HPGRGTLEWPGXSD-JTQLQIEISA-N 2 0 240.351 0.333 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000857106268 588888059 /nfs/dbraw/zinc/88/80/59/588888059.db2.gz GYZMQGJLZGGYLD-LPEHRKFASA-N 2 0 228.340 0.150 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000857106788 588888198 /nfs/dbraw/zinc/88/81/98/588888198.db2.gz AALNMQFHLGEMAZ-DCAQKATOSA-N 2 0 240.351 0.117 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000857104865 588888206 /nfs/dbraw/zinc/88/82/06/588888206.db2.gz YUXOJEMSDKKWHE-JQWIXIFHSA-N 2 0 242.367 0.413 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000857107155 588888358 /nfs/dbraw/zinc/88/83/58/588888358.db2.gz MTUDCMAMTIXZEO-VIFPVBQESA-N 2 0 230.356 0.350 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000857107494 588888616 /nfs/dbraw/zinc/88/86/16/588888616.db2.gz WUXLRKOSVLVYJE-JQWIXIFHSA-N 2 0 240.351 0.119 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N(C)Cc1c[nH]cn1 ZINC000857107525 588888745 /nfs/dbraw/zinc/88/87/45/588888745.db2.gz XVNKNSDQMVBONE-QMMMGPOBSA-N 2 0 225.296 0.288 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000857111303 588889191 /nfs/dbraw/zinc/88/91/91/588889191.db2.gz IZPLVRTUWWTKTN-JTQLQIEISA-N 2 0 240.351 0.285 20 0 BCADRP CC(C)N(CC[NH+](C)C)C(=O)NCC[C@H](C)[NH3+] ZINC000857111203 588889302 /nfs/dbraw/zinc/88/93/02/588889302.db2.gz FQKXGSPVVRFUSD-NSHDSACASA-N 2 0 244.383 0.705 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000877243004 583304968 /nfs/dbraw/zinc/30/49/68/583304968.db2.gz KHTREEAJRYFYES-ZNSHCXBVSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C[C@@H]1CCC[NH2+]1)C2 ZINC000877379078 583312569 /nfs/dbraw/zinc/31/25/69/583312569.db2.gz CSBBTHOJQCQNRX-GMXVVIOVSA-N 2 0 237.347 0.196 20 0 BCADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000841849409 583367611 /nfs/dbraw/zinc/36/76/11/583367611.db2.gz RLRTVCZBIRZRCD-ZYHUDNBSSA-N 2 0 243.326 0.289 20 0 BCADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)C(=O)NCCF ZINC000894256584 583395126 /nfs/dbraw/zinc/39/51/26/583395126.db2.gz HMYUHPRYRBSJDB-SNVBAGLBSA-N 2 0 245.342 0.392 20 0 BCADRP C[NH+](C)C1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000857229361 588896503 /nfs/dbraw/zinc/89/65/03/588896503.db2.gz QSGRUEXUQCPOHR-ILDUYXDCSA-N 2 0 225.336 0.289 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000333684409 583417866 /nfs/dbraw/zinc/41/78/66/583417866.db2.gz ZYWDSDILPMBJMY-GARJFASQSA-N 2 0 239.363 0.631 20 0 BCADRP C[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000841857254 583439134 /nfs/dbraw/zinc/43/91/34/583439134.db2.gz SONJYSRJRNCDAG-CKYFFXLPSA-N 2 0 243.326 0.131 20 0 BCADRP C[C@H](O)CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879582081 583440746 /nfs/dbraw/zinc/44/07/46/583440746.db2.gz PNKYQWORZQXYJO-TUAOUCFPSA-N 2 0 212.337 0.783 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000841858117 583442902 /nfs/dbraw/zinc/44/29/02/583442902.db2.gz ZFWPGQXHAKPVMY-YUSALJHKSA-N 2 0 243.326 0.131 20 0 BCADRP CCc1nccc(N(C)CC[N@H+](C)CCO)n1 ZINC000894590750 583488097 /nfs/dbraw/zinc/48/80/97/583488097.db2.gz HDRGKCZLEIISSA-UHFFFAOYSA-N 2 0 238.335 0.399 20 0 BCADRP C[C@H](CCO)[NH2+]C[C@H]1CCCN1CCCO ZINC000894667720 583501936 /nfs/dbraw/zinc/50/19/36/583501936.db2.gz KJQGIZBTGDWDTM-VXGBXAGGSA-N 2 0 230.352 0.194 20 0 BCADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCCNC2=O)CC1 ZINC000894874094 583541046 /nfs/dbraw/zinc/54/10/46/583541046.db2.gz ZFIHRBPREBEDIF-GFCCVEGCSA-N 2 0 239.363 0.444 20 0 BCADRP Cc1cc(N)nc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)[nH+]1 ZINC000895021696 583569984 /nfs/dbraw/zinc/56/99/84/583569984.db2.gz IMJGWKCJCCDHOU-QWRGUYRKSA-N 2 0 247.346 0.898 20 0 BCADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417799853 583612587 /nfs/dbraw/zinc/61/25/87/583612587.db2.gz RXIUWCZCXBQLAG-MNOVXSKESA-N 2 0 241.379 0.736 20 0 BCADRP C[C@@H]1C[C@@H](N[C@@H]2C(=O)NCC2(C)C)CC[N@@H+]1C ZINC000895323098 583650029 /nfs/dbraw/zinc/65/00/29/583650029.db2.gz YJIYHSWAVOFPDF-OUAUKWLOSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H](O)C1([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000895443688 583674807 /nfs/dbraw/zinc/67/48/07/583674807.db2.gz YAMJFCILQHIXPQ-SNVBAGLBSA-N 2 0 212.337 0.831 20 0 BCADRP CC[C@@H](C(=O)N[C@H]1CCn2cncc21)[NH+](C)C ZINC000857979321 588925937 /nfs/dbraw/zinc/92/59/37/588925937.db2.gz AZHUSLARVBMUOZ-UWVGGRQHSA-N 2 0 236.319 0.784 20 0 BCADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870941731 583931881 /nfs/dbraw/zinc/93/18/81/583931881.db2.gz YZRCVAJRFXTUFK-NNYUYHANSA-N 2 0 239.363 0.618 20 0 BCADRP CC[NH+](CC)CCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864452421 584005415 /nfs/dbraw/zinc/00/54/15/584005415.db2.gz QAPMTMPGVAKSRN-UWVGGRQHSA-N 2 0 212.341 0.851 20 0 BCADRP C[C@@H](C[NH2+]Cc1cn[nH]c1)N1CC[NH+](C)CC1 ZINC000729683166 584022629 /nfs/dbraw/zinc/02/26/29/584022629.db2.gz KDKHBHBQBVGUBP-NSHDSACASA-N 2 0 237.351 0.135 20 0 BCADRP CC[N@H+](CCC(=O)NC)CC1CC[NH+](C)CC1 ZINC000897709782 584042094 /nfs/dbraw/zinc/04/20/94/584042094.db2.gz UOHJXVGOOTWCNO-UHFFFAOYSA-N 2 0 241.379 0.786 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@@]2(C)CCNC2=O)CC1 ZINC000897866555 584055261 /nfs/dbraw/zinc/05/52/61/584055261.db2.gz CPEIMGZMBJAKNE-LBPRGKRZSA-N 2 0 225.336 0.196 20 0 BCADRP CCC[N@H+](C)CC(=O)N1CC([NH+]2CCCC2)C1 ZINC000898611582 584146608 /nfs/dbraw/zinc/14/66/08/584146608.db2.gz XSBBBQUFPFIPCV-UHFFFAOYSA-N 2 0 239.363 0.635 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000899224164 584184364 /nfs/dbraw/zinc/18/43/64/584184364.db2.gz MSUDQJDVETYKSJ-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000899224161 584184394 /nfs/dbraw/zinc/18/43/94/584184394.db2.gz MSUDQJDVETYKSJ-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H](NC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000899266323 584189576 /nfs/dbraw/zinc/18/95/76/584189576.db2.gz RLRUKPITYQIQAP-ZJUUUORDSA-N 2 0 224.352 0.851 20 0 BCADRP c1nc(N2CC[NH2+]CC2)cnc1C1=CCC[NH2+]C1 ZINC000899324886 584196786 /nfs/dbraw/zinc/19/67/86/584196786.db2.gz RVJGZLDQZDSFMI-UHFFFAOYSA-N 2 0 245.330 0.263 20 0 BCADRP c1c(C[NH2+]C2CC2)nnn1C[C@H]1CCCC[NH2+]C1 ZINC000899740850 584233940 /nfs/dbraw/zinc/23/39/40/584233940.db2.gz KIYMJSOMHZKYCQ-NSHDSACASA-N 2 0 249.362 0.920 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)C2(O)CCC2)C1 ZINC000899891762 584248722 /nfs/dbraw/zinc/24/87/22/584248722.db2.gz SASRYTSORPNVBS-TUAOUCFPSA-N 2 0 242.363 0.192 20 0 BCADRP C[NH+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC000899919760 584252372 /nfs/dbraw/zinc/25/23/72/584252372.db2.gz DZDDFEBFTAFOAB-UHFFFAOYSA-N 2 0 225.336 0.150 20 0 BCADRP CC[C@@H](O)C[N@@H+]1CCC12CC[NH+](C)CC2 ZINC000899911339 584253013 /nfs/dbraw/zinc/25/30/13/584253013.db2.gz SJJAXGYRNPXXEZ-LLVKDONJSA-N 2 0 212.337 0.927 20 0 BCADRP C[NH2+][C@H](C)Cc1noc(C[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000900009017 584264702 /nfs/dbraw/zinc/26/47/02/584264702.db2.gz SRVGQUKNXWAWAC-OPRDCNLKSA-N 2 0 238.335 0.618 20 0 BCADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C12CC[NH+](CC1)C2 ZINC000900372529 584298322 /nfs/dbraw/zinc/29/83/22/584298322.db2.gz UMSWZNLRPPSNCI-NSHDSACASA-N 2 0 249.358 0.435 20 0 BCADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C12CC[NH+](CC1)C2 ZINC000900372528 584298527 /nfs/dbraw/zinc/29/85/27/584298527.db2.gz UMSWZNLRPPSNCI-LLVKDONJSA-N 2 0 249.358 0.435 20 0 BCADRP Cc1nccn1CCNC(=O)C12CC[NH+](CC1)C2 ZINC000900448031 584311446 /nfs/dbraw/zinc/31/14/46/584311446.db2.gz GFJYNIJYBRAIJN-UHFFFAOYSA-N 2 0 248.330 0.404 20 0 BCADRP CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000900588685 584329111 /nfs/dbraw/zinc/32/91/11/584329111.db2.gz GESPZLLNOXTDHQ-SNVBAGLBSA-N 2 0 236.319 0.553 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900592210 584329293 /nfs/dbraw/zinc/32/92/93/584329293.db2.gz XEHPHCPBSVBCCB-LLVKDONJSA-N 2 0 237.347 0.293 20 0 BCADRP CN(CC1CC[NH+](C)CC1)CN1CCOC1=O ZINC000902114620 584527376 /nfs/dbraw/zinc/52/73/76/584527376.db2.gz PZQUWHBWKBLSMB-UHFFFAOYSA-N 2 0 241.335 0.670 20 0 BCADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2COCCO2)C1 ZINC000902319400 584551645 /nfs/dbraw/zinc/55/16/45/584551645.db2.gz NCMQKQBHCFAKCD-NWDGAFQWSA-N 2 0 242.363 0.770 20 0 BCADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C(=O)N(C)C ZINC000902375568 584567996 /nfs/dbraw/zinc/56/79/96/584567996.db2.gz JAEMVASJUFRZNR-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)(C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C(N)=O ZINC000902364223 584573494 /nfs/dbraw/zinc/57/34/94/584573494.db2.gz PYGZMVUIIQZTLU-SNVBAGLBSA-N 2 0 241.379 0.866 20 0 BCADRP COC[C@@H]([NH2+]CC1([NH3+])CC1)C1CCOCC1 ZINC000902406078 584573687 /nfs/dbraw/zinc/57/36/87/584573687.db2.gz KXMJEOSVGSLEBB-LLVKDONJSA-N 2 0 228.336 0.509 20 0 BCADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC1([NH3+])CC1 ZINC000902407826 584574792 /nfs/dbraw/zinc/57/47/92/584574792.db2.gz VMUYPWTWQCYOCS-SECBINFHSA-N 2 0 234.347 0.991 20 0 BCADRP [NH3+]C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000902407824 584574921 /nfs/dbraw/zinc/57/49/21/584574921.db2.gz VMSQUTPSMOZBRS-SDDRHHMPSA-N 2 0 223.364 0.988 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000902390752 584582210 /nfs/dbraw/zinc/58/22/10/584582210.db2.gz AIFRGVYSYMDBCJ-ZJUUUORDSA-N 2 0 225.336 0.243 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902397628 584585464 /nfs/dbraw/zinc/58/54/64/584585464.db2.gz NLSVZAAYGIXWSU-LBPRGKRZSA-N 3 0 243.395 0.590 20 0 BCADRP CC[N@@H+]1CC[C@H](NCC2([NH3+])CC2)[C@H](C)C1 ZINC000902416941 584590969 /nfs/dbraw/zinc/59/09/69/584590969.db2.gz PWVDGRHAPISZHQ-MNOVXSKESA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902446125 584592206 /nfs/dbraw/zinc/59/22/06/584592206.db2.gz SAFILNXOPGDNNW-UTUOFQBUSA-N 2 0 225.380 0.962 20 0 BCADRP [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@@H]1CC[NH2+]C1 ZINC000902435757 584596595 /nfs/dbraw/zinc/59/65/95/584596595.db2.gz UUTLZLVSYSHWHL-RAIGVLPGSA-N 2 0 217.316 0.563 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CCC[C@H]1C[NH3+] ZINC000902442591 584598352 /nfs/dbraw/zinc/59/83/52/584598352.db2.gz JQIPUBOLXVJVNR-AXFHLTTASA-N 2 0 211.353 0.701 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000902445000 584599199 /nfs/dbraw/zinc/59/91/99/584599199.db2.gz PCXSNZCXZOQUQE-VWYCJHECSA-N 2 0 223.364 0.844 20 0 BCADRP Cn1ccnc1[C@@H](NCC1([NH3+])CC1)C1CC1 ZINC000902414583 584600498 /nfs/dbraw/zinc/60/04/98/584600498.db2.gz XVUFKPFYIMQIIK-JTQLQIEISA-N 2 0 220.320 0.952 20 0 BCADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902449939 584606140 /nfs/dbraw/zinc/60/61/40/584606140.db2.gz AMQCIIXRNTWFRX-UKXAOYPBSA-N 2 0 210.321 0.878 20 0 BCADRP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902460595 584611379 /nfs/dbraw/zinc/61/13/79/584611379.db2.gz HLCMVSWISFISSM-JZRPKSSGSA-N 2 0 223.364 0.986 20 0 BCADRP [NH3+]C[C@H]1CCC[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461256 584611671 /nfs/dbraw/zinc/61/16/71/584611671.db2.gz NFKNZTYZHMWRSZ-YBXAARCKSA-N 2 0 209.337 0.596 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902472125 584617586 /nfs/dbraw/zinc/61/75/86/584617586.db2.gz XHICOQLMJSCDQC-PREPNJAASA-N 2 0 209.337 0.419 20 0 BCADRP O[C@H](CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC1 ZINC000902501419 584620613 /nfs/dbraw/zinc/62/06/13/584620613.db2.gz BACVHRIWVUHPQI-QQKNPXLJSA-N 2 0 236.359 0.733 20 0 BCADRP COC[C@H](CCC[NH3+])NC[C@@H]1CCCCC[NH2+]1 ZINC000902481605 584623707 /nfs/dbraw/zinc/62/37/07/584623707.db2.gz FNIAIDMPHYVKDF-STQMWFEESA-N 2 0 243.395 0.862 20 0 BCADRP COC[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)C1CCOCC1 ZINC000902485384 584624614 /nfs/dbraw/zinc/62/46/14/584624614.db2.gz KELVPSMQYDIYMB-DRZSPHRISA-N 2 0 242.363 0.755 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000902485997 584625174 /nfs/dbraw/zinc/62/51/74/584625174.db2.gz DSKWPCYBTJRRGC-ZDEQEGDKSA-N 3 0 223.364 0.940 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000902486258 584625343 /nfs/dbraw/zinc/62/53/43/584625343.db2.gz CMEPTPJEBIVVJL-NWBUJAPZSA-N 3 0 223.364 0.701 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000902487097 584625711 /nfs/dbraw/zinc/62/57/11/584625711.db2.gz IMIDJEYKZILYMQ-BJDJZHNGSA-N 3 0 211.353 0.831 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000902487180 584625956 /nfs/dbraw/zinc/62/59/56/584625956.db2.gz JKOFUNPLSSFXBF-DBIOUOCHSA-N 3 0 209.337 0.583 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000902487697 584626972 /nfs/dbraw/zinc/62/69/72/584626972.db2.gz LXKFYAZZQCZKSI-DDHJBXDOSA-N 3 0 211.353 0.973 20 0 BCADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@@H]1CCCC[NH2+]1 ZINC000902489540 584627207 /nfs/dbraw/zinc/62/72/07/584627207.db2.gz RBMJDPWAGKHHEM-BJDJZHNGSA-N 2 0 211.353 0.844 20 0 BCADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000902488906 584627547 /nfs/dbraw/zinc/62/75/47/584627547.db2.gz OFDJXQRAILZUOF-GMTAPVOTSA-N 3 0 209.337 0.598 20 0 BCADRP C1CC1[C@H]1COC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000902519817 584631271 /nfs/dbraw/zinc/63/12/71/584631271.db2.gz MQXBKDORAOYYJT-NEPJUHHUSA-N 2 0 210.321 0.753 20 0 BCADRP C1CC1[C@@H]1COC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000902519819 584631526 /nfs/dbraw/zinc/63/15/26/584631526.db2.gz MQXBKDORAOYYJT-RYUDHWBXSA-N 2 0 210.321 0.753 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000902520403 584631667 /nfs/dbraw/zinc/63/16/67/584631667.db2.gz OMENVQZPLQOSOU-YNEHKIRRSA-N 2 0 242.363 0.755 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@](C)(C[NH3+])C1CC1 ZINC000903426875 584760958 /nfs/dbraw/zinc/76/09/58/584760958.db2.gz RJANRGABXLRGOY-JFGNBEQYSA-N 2 0 211.353 0.559 20 0 BCADRP CN(C[C@H]1CCC[NH2+]1)C1CCC([NH3+])CC1 ZINC000903425256 584761086 /nfs/dbraw/zinc/76/10/86/584761086.db2.gz YRPOFJZMWRGSRZ-MOENNCHZSA-N 2 0 211.353 0.940 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903426435 584761097 /nfs/dbraw/zinc/76/10/97/584761097.db2.gz IVUGKEHPXJYDLW-USZNOCQGSA-N 2 0 227.352 0.162 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903425264 584761246 /nfs/dbraw/zinc/76/12/46/584761246.db2.gz YYMKAVZYSQNJKS-GRYCIOLGSA-N 2 0 211.353 0.798 20 0 BCADRP CCCC[N@H+](CCO)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903427303 584761657 /nfs/dbraw/zinc/76/16/57/584761657.db2.gz WEKPEAHNGVZPKE-NEPJUHHUSA-N 2 0 214.353 0.936 20 0 BCADRP NC(=O)C[C@H]1CCCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC000903432407 584761922 /nfs/dbraw/zinc/76/19/22/584761922.db2.gz AWIMPLXRMCWXEB-QJPTWQEYSA-N 2 0 239.363 0.844 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000903433073 584762102 /nfs/dbraw/zinc/76/21/02/584762102.db2.gz SXNZPRZPGQNXKV-GRYCIOLGSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000903433074 584762149 /nfs/dbraw/zinc/76/21/49/584762149.db2.gz SXNZPRZPGQNXKV-WOPDTQHZSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H](O)CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903439488 584762544 /nfs/dbraw/zinc/76/25/44/584762544.db2.gz IHBYPRUZSFUKNW-VWYCJHECSA-N 2 0 200.326 0.545 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C[C@H]1CCC[NH2+]1 ZINC000903422347 584764197 /nfs/dbraw/zinc/76/41/97/584764197.db2.gz ZJKIPCYQJLRAIN-IJLUTSLNSA-N 2 0 211.353 0.940 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903424950 584765165 /nfs/dbraw/zinc/76/51/65/584765165.db2.gz NBWKDKAJRZJROT-GRYCIOLGSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@H]1CCN(C[C@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000903458720 584765236 /nfs/dbraw/zinc/76/52/36/584765236.db2.gz ICGLAXKZSHXOTN-QJPTWQEYSA-N 2 0 211.353 0.655 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCc3nccnc3C2)C1 ZINC000903464707 584765678 /nfs/dbraw/zinc/76/56/78/584765678.db2.gz WWEPGBHNWKWKTK-WDEREUQCSA-N 2 0 232.331 0.962 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000903459264 584765762 /nfs/dbraw/zinc/76/57/62/584765762.db2.gz FOZGXSRPPWNFCI-YNEHKIRRSA-N 3 0 223.364 0.942 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000903461029 584766376 /nfs/dbraw/zinc/76/63/76/584766376.db2.gz NFKBVWNEMUECJB-RHYQMDGZSA-N 2 0 212.337 0.687 20 0 BCADRP CCO[C@@H]1CN(C[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C[NH3+] ZINC000903460443 584766451 /nfs/dbraw/zinc/76/64/51/584766451.db2.gz CMJWOXUTDMOOSU-FVCCEPFGSA-N 2 0 241.379 0.138 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000903459803 584766454 /nfs/dbraw/zinc/76/64/54/584766454.db2.gz NKQNHCFGIMXYEH-FRRDWIJNSA-N 2 0 223.364 0.670 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC2(CC[NH2+]2)CC1 ZINC000903459806 584766911 /nfs/dbraw/zinc/76/69/11/584766911.db2.gz NRSHBEODKRCEQC-NEPJUHHUSA-N 2 0 223.364 0.670 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC3=C(CCC(=O)N3)C2)C1 ZINC000903463987 584767251 /nfs/dbraw/zinc/76/72/51/584767251.db2.gz VNOVCVPSSJJHSL-CMPLNLGQSA-N 2 0 249.358 0.984 20 0 BCADRP c1cc(N2CCN(C[C@H]3CCC[NH2+]3)CC2)cc[nH+]1 ZINC000903445359 584769502 /nfs/dbraw/zinc/76/95/02/584769502.db2.gz IWZUZMCQSAFLTL-CYBMUJFWSA-N 2 0 246.358 0.956 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903447401 584770830 /nfs/dbraw/zinc/77/08/30/584770830.db2.gz QVDWSIQQDRUALE-WYUUTHIRSA-N 2 0 211.353 0.511 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000903449252 584771143 /nfs/dbraw/zinc/77/11/43/584771143.db2.gz QYDAFKNIQVCAEI-AGIUHOORSA-N 2 0 223.364 0.527 20 0 BCADRP C[C@H]1NCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C ZINC000903449792 584771246 /nfs/dbraw/zinc/77/12/46/584771246.db2.gz GGNQKVJOUJRLSU-KKOKHZNYSA-N 2 0 211.353 0.796 20 0 BCADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903452199 584771712 /nfs/dbraw/zinc/77/17/12/584771712.db2.gz IJFFJDAQAYYQHB-RHYQMDGZSA-N 2 0 229.343 0.474 20 0 BCADRP COC(=O)[C@H]1C[C@@H]([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903464581 584771952 /nfs/dbraw/zinc/77/19/52/584771952.db2.gz SLYOMEKIYYEDBK-WYUUTHIRSA-N 2 0 240.347 0.997 20 0 BCADRP C([C@H]1CCC[NH2+]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000903453125 584772561 /nfs/dbraw/zinc/77/25/61/584772561.db2.gz ZVSOZCCALQIAGH-GFCCVEGCSA-N 2 0 223.364 0.814 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000903454111 584772650 /nfs/dbraw/zinc/77/26/50/584772650.db2.gz UVAZUZGTOGYMFQ-MROQNXINSA-N 2 0 223.364 0.526 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000903454578 584773456 /nfs/dbraw/zinc/77/34/56/584773456.db2.gz CRVKRANRVGFGSQ-KVSVUVNWSA-N 2 0 225.380 0.818 20 0 BCADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCC[NH2+]1 ZINC000903472609 584776353 /nfs/dbraw/zinc/77/63/53/584776353.db2.gz SWXBGEUJIUEITG-MNOVXSKESA-N 2 0 209.337 0.613 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000903475736 584776631 /nfs/dbraw/zinc/77/66/31/584776631.db2.gz BSRJCSYURJSEIR-ZOBORPQBSA-N 2 0 237.391 0.916 20 0 BCADRP C[NH2+]CCOCCN(C)[C@@H](C)c1ncccn1 ZINC000903474940 584776947 /nfs/dbraw/zinc/77/69/47/584776947.db2.gz VRNHMTGITGCXIT-NSHDSACASA-N 2 0 238.335 0.705 20 0 BCADRP C[N@@H+]1CC[C@H]2CN(C[C@H]3CCC[NH2+]3)CC[C@H]21 ZINC000903476466 584777273 /nfs/dbraw/zinc/77/72/73/584777273.db2.gz XREFVPAVLOKUOX-YNEHKIRRSA-N 2 0 223.364 0.764 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000903476117 584777302 /nfs/dbraw/zinc/77/73/02/584777302.db2.gz NZXLLCIFILMEQR-MQYQWHSLSA-N 2 0 237.391 0.868 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000903476970 584777573 /nfs/dbraw/zinc/77/75/73/584777573.db2.gz PTQDECGIECSDID-KKOKHZNYSA-N 3 0 211.353 0.640 20 0 BCADRP CCN(C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000903482185 584778781 /nfs/dbraw/zinc/77/87/81/584778781.db2.gz YXNBHBNVAPZNPN-GRYCIOLGSA-N 2 0 211.353 0.798 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000903482584 584778862 /nfs/dbraw/zinc/77/88/62/584778862.db2.gz LVCUGZKCTDSUPZ-RCWTZXSCSA-N 2 0 211.353 0.557 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903482924 584778877 /nfs/dbraw/zinc/77/88/77/584778877.db2.gz YQQHHXBSIUILIU-YTWAJWBKSA-N 3 0 211.353 0.829 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903482922 584779037 /nfs/dbraw/zinc/77/90/37/584779037.db2.gz YQQHHXBSIUILIU-RCWTZXSCSA-N 3 0 211.353 0.829 20 0 BCADRP [NH3+][C@@H]1CN(C[C@@H]2CC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000903514967 584781353 /nfs/dbraw/zinc/78/13/53/584781353.db2.gz ZYTWPKVWOMETJS-IWSPIJDZSA-N 2 0 237.269 0.417 20 0 BCADRP [NH3+]CCN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903538667 584781616 /nfs/dbraw/zinc/78/16/16/584781616.db2.gz CVMIJTIWDWDDIY-RNFRBKRXSA-N 2 0 211.231 0.157 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903560151 584781997 /nfs/dbraw/zinc/78/19/97/584781997.db2.gz VLYJGKOAMIEJTQ-OUAUKWLOSA-N 2 0 211.353 0.511 20 0 BCADRP CC1(C)CN(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@@H]1[NH3+] ZINC000903560027 584782542 /nfs/dbraw/zinc/78/25/42/584782542.db2.gz QYBYUHZDEHUZHR-GUBZILKMSA-N 2 0 215.316 0.356 20 0 BCADRP CC1(C)C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1N ZINC000903556984 584782984 /nfs/dbraw/zinc/78/29/84/584782984.db2.gz JBMZWQQVHAOTRK-GHMZBOCLSA-N 3 0 211.353 0.655 20 0 BCADRP C[C@@H](CN1CCOCC1)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903558123 584783023 /nfs/dbraw/zinc/78/30/23/584783023.db2.gz VPHJNJHPSBBCFX-NWDGAFQWSA-N 2 0 241.379 0.376 20 0 BCADRP C[NH2+]CCN(CC[C@H]1CC[NH2+]C1)C(C)C ZINC000903574223 584784146 /nfs/dbraw/zinc/78/41/46/584784146.db2.gz WVRKBBXXTWGRDN-GFCCVEGCSA-N 2 0 213.369 0.916 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903716540 584791948 /nfs/dbraw/zinc/79/19/48/584791948.db2.gz OPTYMLYEQAUGHK-AVGNSLFASA-N 3 0 239.363 0.036 20 0 BCADRP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1CCOC1 ZINC000903729722 584793221 /nfs/dbraw/zinc/79/32/21/584793221.db2.gz RHFQPHXWUQSNFW-RWMBFGLXSA-N 2 0 240.347 0.476 20 0 BCADRP C[NH2+][C@@H]1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903713412 584793807 /nfs/dbraw/zinc/79/38/07/584793807.db2.gz PSVKXFWJWQNHHL-FRRDWIJNSA-N 2 0 239.363 0.049 20 0 BCADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCC[NH2+]CC1 ZINC000903713210 584793855 /nfs/dbraw/zinc/79/38/55/584793855.db2.gz IMXNPPGGQFQLOX-OLZOCXBDSA-N 2 0 239.363 0.050 20 0 BCADRP FC(F)[C@H]1C[NH2+]CCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903749638 584794925 /nfs/dbraw/zinc/79/49/25/584794925.db2.gz NNLGBBLDHVZZTR-GHMZBOCLSA-N 2 0 247.333 0.915 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903751626 584795288 /nfs/dbraw/zinc/79/52/88/584795288.db2.gz HVTQIZGUGNREIA-TUAOUCFPSA-N 2 0 211.353 0.798 20 0 BCADRP COCC(COC)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000903752011 584795773 /nfs/dbraw/zinc/79/57/73/584795773.db2.gz OJIPQDAOGIVZCT-CYBMUJFWSA-N 2 0 242.363 0.723 20 0 BCADRP C[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)C[C@H]1[NH3+] ZINC000903753033 584796256 /nfs/dbraw/zinc/79/62/56/584796256.db2.gz YMHGCYOKHHPTKS-GRYCIOLGSA-N 2 0 211.353 0.655 20 0 BCADRP C[C@H]1C[NH2+]CCN1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903744880 584796606 /nfs/dbraw/zinc/79/66/06/584796606.db2.gz YLZXNIAFYFZMCF-RWMBFGLXSA-N 2 0 239.363 0.049 20 0 BCADRP O[C@@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903764269 584797364 /nfs/dbraw/zinc/79/73/64/584797364.db2.gz QQIVOEIGQYCUSQ-VXGBXAGGSA-N 2 0 212.337 0.833 20 0 BCADRP [NH3+][C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)CC[C@H]1F ZINC000903765458 584797487 /nfs/dbraw/zinc/79/74/87/584797487.db2.gz HMXQWHAVCAVIGJ-IJLUTSLNSA-N 2 0 229.343 0.747 20 0 BCADRP CN(C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)CC(C)(C)[NH3+] ZINC000903766879 584797507 /nfs/dbraw/zinc/79/75/07/584797507.db2.gz CLTDXQSJLCSQDT-AAEUAGOBSA-N 2 0 241.379 0.424 20 0 BCADRP [NH3+][C@H]1CCCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903786459 584800104 /nfs/dbraw/zinc/80/01/04/584800104.db2.gz JDJRVSMBLBLIFC-XQQFMLRXSA-N 2 0 239.363 0.178 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000903782329 584800129 /nfs/dbraw/zinc/80/01/29/584800129.db2.gz KWYOQXTULVXLES-IJLUTSLNSA-N 2 0 241.379 0.159 20 0 BCADRP [NH3+]CCCN1CC[NH2+]CCC12CCOCC2 ZINC000903818068 584801162 /nfs/dbraw/zinc/80/11/62/584801162.db2.gz VQLNTIPTHCCTKQ-UHFFFAOYSA-N 2 0 227.352 0.180 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN(C)C1(C[NH3+])CCOCC1 ZINC000903809630 584803468 /nfs/dbraw/zinc/80/34/68/584803468.db2.gz IGNSBXPUDQVXNG-NEPJUHHUSA-N 2 0 241.379 0.282 20 0 BCADRP CC[C@H](O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819738 584803559 /nfs/dbraw/zinc/80/35/59/584803559.db2.gz NKPKMSIWGTWDSC-LBPRGKRZSA-N 2 0 242.363 0.602 20 0 BCADRP CC[N@@H+](CCC(=O)NC)CC[C@@H]1CC[NH2+]C1 ZINC000903825914 584804524 /nfs/dbraw/zinc/80/45/24/584804524.db2.gz FBVSUNWULACKID-NSHDSACASA-N 2 0 227.352 0.444 20 0 BCADRP [NH3+]CCC[NH+]1CCC(CN2CCNC2=O)CC1 ZINC000903825319 584804534 /nfs/dbraw/zinc/80/45/34/584804534.db2.gz YWURZCFFCHZBPV-UHFFFAOYSA-N 2 0 240.351 0.072 20 0 BCADRP OCC[C@@H]1COCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000903829149 584805480 /nfs/dbraw/zinc/80/54/80/584805480.db2.gz AUYQVYOJDBYYOS-QWHCGFSZSA-N 2 0 242.363 0.459 20 0 BCADRP OCC[C@H]1COCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000903829150 584805644 /nfs/dbraw/zinc/80/56/44/584805644.db2.gz AUYQVYOJDBYYOS-STQMWFEESA-N 2 0 242.363 0.459 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H](O)C(F)(F)F)C2 ZINC000903844029 584807539 /nfs/dbraw/zinc/80/75/39/584807539.db2.gz ZULHLLYEXIROOH-KZVJFYERSA-N 2 0 238.253 0.721 20 0 BCADRP [NH3+]C[C@]12CC[C@H]1CCN2C[C@H]1CC[NH2+]C1 ZINC000903849626 584808193 /nfs/dbraw/zinc/80/81/93/584808193.db2.gz FKRSICZGZZERTK-SDDRHHMPSA-N 2 0 209.337 0.409 20 0 BCADRP [NH3+]C[C@]12CC[C@@H]1CCN2C[C@H]1CC[NH2+]C1 ZINC000903849625 584808217 /nfs/dbraw/zinc/80/82/17/584808217.db2.gz FKRSICZGZZERTK-QJPTWQEYSA-N 2 0 209.337 0.409 20 0 BCADRP C[NH2+]C[C@@](C)(O)C[NH2+][C@@H]1CC=CC[C@H]1C ZINC000903850254 584808290 /nfs/dbraw/zinc/80/82/90/584808290.db2.gz NCFJMGZOSKCTIW-IJLUTSLNSA-N 2 0 212.337 0.901 20 0 BCADRP CC(C)NC(=O)CN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903856071 584808884 /nfs/dbraw/zinc/80/88/84/584808884.db2.gz QFMFCMBBMSARMP-JQWIXIFHSA-N 2 0 225.336 0.324 20 0 BCADRP CCOCC[C@H](O)CN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903864701 584813139 /nfs/dbraw/zinc/81/31/39/584813139.db2.gz VTLQPFWAVUEKFQ-RWMBFGLXSA-N 2 0 242.363 0.587 20 0 BCADRP C(CN1CCC[C@]12CC[NH2+]C2)O[C@H]1CCOC1 ZINC000903869126 584813549 /nfs/dbraw/zinc/81/35/49/584813549.db2.gz BOZVWYAAOHJFEH-QWHCGFSZSA-N 2 0 240.347 0.620 20 0 BCADRP CN(C[C@@H]([NH3+])CC(F)F)[C@H]1CCCCNC1=O ZINC000903889416 584814160 /nfs/dbraw/zinc/81/41/60/584814160.db2.gz RTWFHPDSAQJPEO-IUCAKERBSA-N 2 0 249.305 0.569 20 0 BCADRP N[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903872767 584815157 /nfs/dbraw/zinc/81/51/57/584815157.db2.gz BWUZUPCVMOPMOJ-RDFFEMEHSA-N 2 0 209.337 0.550 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903873090 584815537 /nfs/dbraw/zinc/81/55/37/584815537.db2.gz FMKAZRKQFCMXSE-IUCAKERBSA-N 2 0 221.295 0.640 20 0 BCADRP C[C@H]1C(=O)NCCCN1C[C@H]1CCCC[NH2+]C1 ZINC000903875561 584816553 /nfs/dbraw/zinc/81/65/53/584816553.db2.gz QSDKAPBGMIXDDX-RYUDHWBXSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@H]1C(=O)NCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903874670 584816594 /nfs/dbraw/zinc/81/65/94/584816594.db2.gz HJFULCOZBZESKG-AXFHLTTASA-N 2 0 225.336 0.324 20 0 BCADRP COC[C@@H]1CNCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903883887 584818451 /nfs/dbraw/zinc/81/84/51/584818451.db2.gz ZYQBWAAIGITDJN-WOPDTQHZSA-N 2 0 227.352 0.034 20 0 BCADRP COC(=O)CC(C)(C)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903903146 584820844 /nfs/dbraw/zinc/82/08/44/584820844.db2.gz RXBBSQSGMXKTFO-ZETCQYMHSA-N 2 0 238.278 0.900 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903906075 584821139 /nfs/dbraw/zinc/82/11/39/584821139.db2.gz RJJSDLAETHLHNG-WPRPVWTQSA-N 2 0 221.295 0.640 20 0 BCADRP C[C@H](CC[NH3+])[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920973 584823100 /nfs/dbraw/zinc/82/31/00/584823100.db2.gz YYFRKAAHPQXPAO-WAAKLRNESA-N 3 0 211.353 0.844 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920986 584823198 /nfs/dbraw/zinc/82/31/98/584823198.db2.gz ZGCITCNYTBJHDE-RTWBTXMESA-N 3 0 211.353 0.842 20 0 BCADRP CC1(C)C[NH2+]CC[C@@H]1NC[C@H]([NH3+])CC(F)F ZINC000903920532 584823356 /nfs/dbraw/zinc/82/33/56/584823356.db2.gz VWSZQQDQUDJQPG-BDAKNGLRSA-N 2 0 235.322 0.947 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000903929174 584824392 /nfs/dbraw/zinc/82/43/92/584824392.db2.gz BIKWQMBVMXQJNP-MWLCHTKSSA-N 2 0 233.306 0.797 20 0 BCADRP C([NH2+]CC12CC(C1)C[NH2+]2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903933087 584824743 /nfs/dbraw/zinc/82/47/43/584824743.db2.gz KVFOZJVYCQMHGY-LJZITESISA-N 3 0 235.375 0.859 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]([NH3+])CC(F)F ZINC000903931227 584824748 /nfs/dbraw/zinc/82/47/48/584824748.db2.gz BCKWZWVBCYICJA-HLTSFMKQSA-N 2 0 221.295 0.781 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000903933454 584824892 /nfs/dbraw/zinc/82/48/92/584824892.db2.gz RPWPCPBEURMYAS-FXPVBKGRSA-N 2 0 233.306 0.782 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000903933455 584825111 /nfs/dbraw/zinc/82/51/11/584825111.db2.gz RPWPCPBEURMYAS-IQJOONFLSA-N 2 0 233.306 0.782 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]([NH3+])CC(F)F ZINC000903931229 584825258 /nfs/dbraw/zinc/82/52/58/584825258.db2.gz BCKWZWVBCYICJA-IWSPIJDZSA-N 2 0 221.295 0.781 20 0 BCADRP [NH3+][C@@H](CC(F)F)CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000903932760 584825367 /nfs/dbraw/zinc/82/53/67/584825367.db2.gz GGZSNTBWVAKYEF-XLPZGREQSA-N 2 0 225.258 0.340 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C[C@H]([NH3+])CC(F)F)C2 ZINC000903938057 584826555 /nfs/dbraw/zinc/82/65/55/584826555.db2.gz YOEVXFLJDILWRH-IQJOONFLSA-N 2 0 233.306 0.510 20 0 BCADRP [NH3+][C@H](CC(F)F)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000903918131 584827283 /nfs/dbraw/zinc/82/72/83/584827283.db2.gz SWZOFWWIYOKEGS-MWLCHTKSSA-N 2 0 233.306 0.654 20 0 BCADRP COC[C@@H]([NH2+]C1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000903960169 584827361 /nfs/dbraw/zinc/82/73/61/584827361.db2.gz YDESOCUDDZHSJX-WCQYABFASA-N 2 0 242.363 0.770 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000903958010 584827727 /nfs/dbraw/zinc/82/77/27/584827727.db2.gz VOGKYZAUFGPALR-GARJFASQSA-N 2 0 247.333 0.819 20 0 BCADRP FC1(F)CC[NH2+]C[C@H]1CN[C@@H]1CC[NH2+]C1 ZINC000903956964 584827817 /nfs/dbraw/zinc/82/78/17/584827817.db2.gz OBLUIACKABWQBY-DTWKUNHWSA-N 2 0 219.279 0.183 20 0 BCADRP Nc1ccnc(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000903950853 584830821 /nfs/dbraw/zinc/83/08/21/584830821.db2.gz SDCWEHNRDPVYFJ-UHFFFAOYSA-N 2 0 220.320 0.753 20 0 BCADRP C[C@H]1C[C@H](C[N@@H+]2CCCn3nncc3C2)CC[NH2+]1 ZINC000903951352 584830905 /nfs/dbraw/zinc/83/09/05/584830905.db2.gz WPGQUQMRBSIZJC-NWDGAFQWSA-N 2 0 249.362 0.872 20 0 BCADRP C[C@H]1C[NH2+]C[C@H](NCc2cc(N)cc[nH+]2)C1 ZINC000903953320 584831398 /nfs/dbraw/zinc/83/13/98/584831398.db2.gz CXOMEEKTLAHJJX-MWLCHTKSSA-N 2 0 220.320 0.751 20 0 BCADRP Nc1cc[nH+]c(CNC[C@@H]([NH3+])CC(F)F)c1 ZINC000903953314 584831478 /nfs/dbraw/zinc/83/14/78/584831478.db2.gz CRRPAJBXSWLVGA-QMMMGPOBSA-N 2 0 230.262 0.736 20 0 BCADRP C[NH+]1CCC(NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903956700 584832047 /nfs/dbraw/zinc/83/20/47/584832047.db2.gz NBWOCHVITATVEL-SNVBAGLBSA-N 2 0 247.333 0.915 20 0 BCADRP FC1(F)CC[NH2+]C[C@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000903955875 584832236 /nfs/dbraw/zinc/83/22/36/584832236.db2.gz BOEGUWGUZBLTKJ-WDEREUQCSA-N 2 0 247.333 0.963 20 0 BCADRP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956234 584832244 /nfs/dbraw/zinc/83/22/44/584832244.db2.gz JMXTXGMMPBXGIM-IVZWLZJFSA-N 2 0 234.290 0.998 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cncn1C ZINC000903973926 584832480 /nfs/dbraw/zinc/83/24/80/584832480.db2.gz JLGQVPLBNMMROA-GHMZBOCLSA-N 2 0 222.336 0.755 20 0 BCADRP C[C@H]1OCC[C@@H]1[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903974443 584832600 /nfs/dbraw/zinc/83/26/00/584832600.db2.gz MYRFSQXCGBXFIM-KKOKHZNYSA-N 2 0 212.337 0.999 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cnnn1C ZINC000903973876 584832646 /nfs/dbraw/zinc/83/26/46/584832646.db2.gz HKPSLZZXMLOIJQ-NXEZZACHSA-N 2 0 223.324 0.150 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cnc(N)cn2)C[C@H]1CC[NH3+] ZINC000903978111 584832919 /nfs/dbraw/zinc/83/29/19/584832919.db2.gz FPCCDGGGDJMXHO-NXEZZACHSA-N 2 0 235.335 0.476 20 0 BCADRP C[C@@H]1CN(CC23CC(C2)C[NH2+]3)C[C@H]1CC[NH3+] ZINC000903977766 584833176 /nfs/dbraw/zinc/83/31/76/584833176.db2.gz ANFHHPPGQPVMSR-CQLXCSJHSA-N 2 0 223.364 0.655 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@@H](N)CC(F)F ZINC000903978506 584833187 /nfs/dbraw/zinc/83/31/87/584833187.db2.gz HSRJTNKBXYHJPI-BBBLOLIVSA-N 2 0 235.322 0.804 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CNC[C@@H](C)C1 ZINC000903979208 584833708 /nfs/dbraw/zinc/83/37/08/584833708.db2.gz YPWFMLHQAPUHDW-LOWDOPEQSA-N 2 0 225.380 0.820 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000903963705 584833732 /nfs/dbraw/zinc/83/37/32/584833732.db2.gz GLFBJNFFACWDBB-WRWGMCAJSA-N 3 0 211.353 0.572 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000903963704 584833763 /nfs/dbraw/zinc/83/37/63/584833763.db2.gz GLFBJNFFACWDBB-WISYIIOYSA-N 3 0 211.353 0.572 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000903966721 584834534 /nfs/dbraw/zinc/83/45/34/584834534.db2.gz AIGYUHVBHPRRIR-NOOOWODRSA-N 2 0 211.353 0.701 20 0 BCADRP C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967992 584834926 /nfs/dbraw/zinc/83/49/26/584834926.db2.gz OKDGXFHZKCFFKI-FVCCEPFGSA-N 2 0 225.380 0.962 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000903968527 584835031 /nfs/dbraw/zinc/83/50/31/584835031.db2.gz XFPPPSCONUYFLL-XHJNMGKDSA-N 3 0 237.391 0.820 20 0 BCADRP CC[NH+]1CCC(NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903967985 584835232 /nfs/dbraw/zinc/83/52/32/584835232.db2.gz ODTHHQHFLYUMJR-NEPJUHHUSA-N 2 0 225.380 0.916 20 0 BCADRP C[C@H]1C[NH2+]CCN1Cc1ccc(C[NH3+])cc1 ZINC000904299399 584860114 /nfs/dbraw/zinc/86/01/14/584860114.db2.gz CFWZJSJCCYKXJR-NSHDSACASA-N 2 0 219.332 0.939 20 0 BCADRP CN(Cc1ccc(C[NH3+])cc1)[C@@H]1CC[NH2+]C1 ZINC000904299749 584860796 /nfs/dbraw/zinc/86/07/96/584860796.db2.gz NJWYTLSHLJACKM-CYBMUJFWSA-N 2 0 219.332 0.939 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904299756 584860837 /nfs/dbraw/zinc/86/08/37/584860837.db2.gz NOJVIJKVYNKGLC-FOGDFJRCSA-N 3 0 211.353 0.783 20 0 BCADRP CN(C[C@]1(C)CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000904299561 584860897 /nfs/dbraw/zinc/86/08/97/584860897.db2.gz HYOGJUIIQONJFK-VXGBXAGGSA-N 2 0 211.353 0.670 20 0 BCADRP C[C@]1(C[N@@H+]2CCC[C@@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904301536 584861320 /nfs/dbraw/zinc/86/13/20/584861320.db2.gz NCNOCUAILXARII-YPMHNXCESA-N 2 0 239.363 0.573 20 0 BCADRP C[NH2+]CCC1CC[NH+](Cc2ccc(N)nn2)CC1 ZINC000904301349 584861467 /nfs/dbraw/zinc/86/14/67/584861467.db2.gz KYPNRBGNJVQOOI-UHFFFAOYSA-N 2 0 249.362 0.880 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)Cc1ccc(N)nn1 ZINC000904301069 584861494 /nfs/dbraw/zinc/86/14/94/584861494.db2.gz FRZIOJSMUCYKRX-LLVKDONJSA-N 2 0 237.351 0.864 20 0 BCADRP C[C@@]1(CN2CCC[C@@H]([NH3+])C2)CCC[NH2+]C1 ZINC000904300196 584861589 /nfs/dbraw/zinc/86/15/89/584861589.db2.gz YOKMZAJVCNOFJB-VXGBXAGGSA-N 2 0 211.353 0.799 20 0 BCADRP CCC[C@@H]1CNCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904301714 584862049 /nfs/dbraw/zinc/86/20/49/584862049.db2.gz PNLZWMAZEKTWJX-GRYCIOLGSA-N 2 0 211.353 0.798 20 0 BCADRP CN(CC(=O)N(C)C)C[C@]1(C)CCC[NH2+]C1 ZINC000904304316 584862236 /nfs/dbraw/zinc/86/22/36/584862236.db2.gz YQNQPOUMFKSODW-GFCCVEGCSA-N 2 0 227.352 0.396 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2C2OCCO2)C1 ZINC000904315999 584862604 /nfs/dbraw/zinc/86/26/04/584862604.db2.gz IFLQHNSDFDIWJC-GRYCIOLGSA-N 2 0 240.347 0.951 20 0 BCADRP COC(=O)[C@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904310212 584863014 /nfs/dbraw/zinc/86/30/14/584863014.db2.gz YBLZQTHEZPYIFW-WCQYABFASA-N 2 0 240.347 0.871 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(C3OCCO3)CC2)C1 ZINC000904317173 584863766 /nfs/dbraw/zinc/86/37/66/584863766.db2.gz UNBLZGXESCJOJM-KLPPZKSPSA-N 2 0 240.347 0.809 20 0 BCADRP CCC(CC)(CO)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904328536 584865218 /nfs/dbraw/zinc/86/52/18/584865218.db2.gz GPOCMTTVQRTLRK-AOOOYVTPSA-N 2 0 200.326 0.864 20 0 BCADRP CC(C)[N@H+](CCS(C)(=O)=O)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904324493 584865653 /nfs/dbraw/zinc/86/56/53/584865653.db2.gz IHRYYIICHOYMDX-PHIMTYICSA-N 2 0 248.392 0.479 20 0 BCADRP C[C@]1(CN2CCO[C@@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000904332940 584866103 /nfs/dbraw/zinc/86/61/03/584866103.db2.gz UNEQCNQCWXCYPY-RYUDHWBXSA-N 2 0 227.352 0.036 20 0 BCADRP C[NH+](C)[C@@H]1CCCN(Cc2ccc(N)nn2)CC1 ZINC000904340114 584866759 /nfs/dbraw/zinc/86/67/59/584866759.db2.gz CXXSYRSRFVIJSS-GFCCVEGCSA-N 2 0 249.362 0.975 20 0 BCADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904333839 584866854 /nfs/dbraw/zinc/86/68/54/584866854.db2.gz HQKDBOPPRBIGQR-UTUOFQBUSA-N 3 0 211.353 0.785 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)CN1C ZINC000904342072 584866984 /nfs/dbraw/zinc/86/69/84/584866984.db2.gz WOJCJDMHXRTGFZ-KKOKHZNYSA-N 2 0 211.353 0.748 20 0 BCADRP CC[N@H+](C[C@H](O)C(F)(F)F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343772 584867686 /nfs/dbraw/zinc/86/76/86/584867686.db2.gz WKMQPKYUXOYVEX-YIZRAAEISA-N 2 0 240.269 0.969 20 0 BCADRP CCCN1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1=O ZINC000904345113 584867747 /nfs/dbraw/zinc/86/77/47/584867747.db2.gz CORHXZZTBKXOFD-TXEJJXNPSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@@]1(C[N@@H+]2CC[C@@H](n3cncn3)C2)CCC[NH2+]C1 ZINC000904343608 584867889 /nfs/dbraw/zinc/86/78/89/584867889.db2.gz WEHUBNAJENOFKE-CHWSQXEVSA-N 2 0 249.362 0.915 20 0 BCADRP CC1(C)C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCN1CCO ZINC000904345168 584867932 /nfs/dbraw/zinc/86/79/32/584867932.db2.gz DULVKCCONNISIK-TXEJJXNPSA-N 2 0 241.379 0.112 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCSC[C@H]2CCO)C1 ZINC000904346420 584868331 /nfs/dbraw/zinc/86/83/31/584868331.db2.gz UJOSMPQQUIVZDV-OUAUKWLOSA-N 2 0 230.377 0.524 20 0 BCADRP C[C@@H]1[C@H](C)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000904345658 584868551 /nfs/dbraw/zinc/86/85/51/584868551.db2.gz IGDKWMGYZHPLQK-KXNHARMFSA-N 2 0 211.353 0.748 20 0 BCADRP NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904347948 584868563 /nfs/dbraw/zinc/86/85/63/584868563.db2.gz LBGOBSJRFYWESM-GCHJQGSQSA-N 2 0 237.347 0.310 20 0 BCADRP COCCO[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904346358 584868572 /nfs/dbraw/zinc/86/85/72/584868572.db2.gz RKSWUQYXRDPGHM-TUAOUCFPSA-N 2 0 228.336 0.461 20 0 BCADRP C[C@@H]1[C@H](C)N(C)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345659 584868593 /nfs/dbraw/zinc/86/85/93/584868593.db2.gz IGDKWMGYZHPLQK-WHOHXGKFSA-N 2 0 211.353 0.748 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000904349846 584869136 /nfs/dbraw/zinc/86/91/36/584869136.db2.gz DEAFGCMIFNWSJE-NNYUYHANSA-N 3 0 209.337 0.408 20 0 BCADRP C[C@@]1(CNC[C@H]2CCC[NH2+]2)CCC[NH2+]C1 ZINC000904353770 584870132 /nfs/dbraw/zinc/87/01/32/584870132.db2.gz QVYIEPBSVXGZDD-VXGBXAGGSA-N 2 0 211.353 0.718 20 0 BCADRP C[C@]1(C[NH2+]CC[C@@H]2CC[NH2+]C2)CCC[NH2+]C1 ZINC000904353857 584870335 /nfs/dbraw/zinc/87/03/35/584870335.db2.gz SVNPWKRQDWNQJC-STQMWFEESA-N 3 0 225.380 0.965 20 0 BCADRP [NH3+]CCN1CCC([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000904354596 584870487 /nfs/dbraw/zinc/87/04/87/584870487.db2.gz HDLRXULABRPJFE-DGCLKSJQSA-N 3 0 240.395 0.127 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000904354823 584870919 /nfs/dbraw/zinc/87/09/19/584870919.db2.gz HDSLJBBJIPTOCX-FRRDWIJNSA-N 2 0 225.380 0.964 20 0 BCADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904354681 584870966 /nfs/dbraw/zinc/87/09/66/584870966.db2.gz JCSWKKQWVMRCCX-LBPRGKRZSA-N 3 0 242.411 0.517 20 0 BCADRP [NH3+]CCN1CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000904355195 584870973 /nfs/dbraw/zinc/87/09/73/584870973.db2.gz LLXURZYDFQYTMJ-GFCCVEGCSA-N 3 0 240.395 0.141 20 0 BCADRP [NH3+]CCN1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000904356081 584871169 /nfs/dbraw/zinc/87/11/69/584871169.db2.gz SVGJLOOMPHHRKV-WCQYABFASA-N 3 0 240.395 0.269 20 0 BCADRP CC(C)(C)S(=O)(=O)CC[NH2+]C1CC(C[NH3+])C1 ZINC000904359503 584871674 /nfs/dbraw/zinc/87/16/74/584871674.db2.gz PMMQXOIWXOLBCZ-UHFFFAOYSA-N 2 0 248.392 0.527 20 0 BCADRP NC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000904359085 584871710 /nfs/dbraw/zinc/87/17/10/584871710.db2.gz YOIVSQMQVLIGJM-WCQGTBRESA-N 2 0 211.353 0.831 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H](C)N1CCOCC1 ZINC000904362239 584872016 /nfs/dbraw/zinc/87/20/16/584872016.db2.gz JXGAGUPVXKWIQS-XQHKEYJVSA-N 2 0 241.379 0.423 20 0 BCADRP [NH3+]CC1CC([NH2+]CCc2ccccn2)C1 ZINC000904368526 584872913 /nfs/dbraw/zinc/87/29/13/584872913.db2.gz SNABLQHSWYPJDX-UHFFFAOYSA-N 2 0 205.305 0.951 20 0 BCADRP C[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C[NH3+] ZINC000904371329 584873112 /nfs/dbraw/zinc/87/31/12/584873112.db2.gz MSEMUFGYVAHBCE-FIQHERPVSA-N 3 0 211.353 0.640 20 0 BCADRP C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C[NH3+] ZINC000904371330 584873151 /nfs/dbraw/zinc/87/31/51/584873151.db2.gz MSEMUFGYVAHBCE-KKOKHZNYSA-N 3 0 211.353 0.640 20 0 BCADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904374358 584873812 /nfs/dbraw/zinc/87/38/12/584873812.db2.gz QPWUGPNQVZBOIC-RVMXOQNASA-N 3 0 223.364 0.785 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](n3ccnn3)C2)C1 ZINC000904373137 584873921 /nfs/dbraw/zinc/87/39/21/584873921.db2.gz BLCBBZAEVYFSRY-GRYCIOLGSA-N 2 0 235.335 0.652 20 0 BCADRP [NH3+]Cc1ccc(C[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000904373288 584873958 /nfs/dbraw/zinc/87/39/58/584873958.db2.gz OBUXMAGCZKFLAD-UHFFFAOYSA-N 3 0 249.358 0.431 20 0 BCADRP [NH3+][C@H]1C[C@@H](CN2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000904372490 584873965 /nfs/dbraw/zinc/87/39/65/584873965.db2.gz CTBPSPKKFYRRLG-TUAOUCFPSA-N 2 0 209.337 0.552 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)C1 ZINC000904374545 584874027 /nfs/dbraw/zinc/87/40/27/584874027.db2.gz TWNSQOFVRYDMGC-GRYCIOLGSA-N 2 0 247.346 0.700 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904374772 584874356 /nfs/dbraw/zinc/87/43/56/584874356.db2.gz WPZKZEXCGLVMJF-WDEREUQCSA-N 3 0 228.384 0.125 20 0 BCADRP CC(C)N1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1=O ZINC000904363271 584874370 /nfs/dbraw/zinc/87/43/70/584874370.db2.gz DFYVUZNUKHQKKB-AXFHLTTASA-N 2 0 225.336 0.323 20 0 BCADRP c1ncc(CN2CC[NH2+]CC[NH2+]CC2)s1 ZINC000904396975 584875369 /nfs/dbraw/zinc/87/53/69/584875369.db2.gz TZMPIPSHHQAMGE-UHFFFAOYSA-N 2 0 226.349 0.138 20 0 BCADRP CCOC(=O)[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904389940 584875597 /nfs/dbraw/zinc/87/55/97/584875597.db2.gz YWVWIBJLIZJTIX-GARJFASQSA-N 2 0 226.320 0.609 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000904389217 584875687 /nfs/dbraw/zinc/87/56/87/584875687.db2.gz UKFRTVCFXFHMJD-IJLUTSLNSA-N 2 0 211.353 0.574 20 0 BCADRP C[C@H]1CC[C@@H]([NH2+]C2CCN(CC[NH3+])CC2)CN1 ZINC000904380649 584876607 /nfs/dbraw/zinc/87/66/07/584876607.db2.gz FQQUXOFLGFMBRM-WCQYABFASA-N 2 0 240.395 0.140 20 0 BCADRP [NH3+]Cc1ccc(C[NH2+]C[C@@H]2COCCN2)cc1 ZINC000904381449 584876610 /nfs/dbraw/zinc/87/66/10/584876610.db2.gz PJXPBPCJEXXHNV-CYBMUJFWSA-N 2 0 235.331 0.223 20 0 BCADRP COC(=O)[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C ZINC000904379430 584876845 /nfs/dbraw/zinc/87/68/45/584876845.db2.gz UWGUQNIHDCUSQG-NNYUYHANSA-N 2 0 240.347 0.855 20 0 BCADRP C[C@@H]([NH3+])CN(C)Cc1ccc(C[NH3+])cc1 ZINC000904381739 584877160 /nfs/dbraw/zinc/87/71/60/584877160.db2.gz STQUZKRXSMDVSH-SNVBAGLBSA-N 2 0 207.321 0.924 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)C1 ZINC000904384695 584877526 /nfs/dbraw/zinc/87/75/26/584877526.db2.gz MEBUZRGPAKAOEN-WHOHXGKFSA-N 3 0 209.337 0.598 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)C1 ZINC000904384737 584877539 /nfs/dbraw/zinc/87/75/39/584877539.db2.gz MTHCMDRYPJTCLO-QCECGRHHSA-N 2 0 222.332 0.737 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000904388136 584877621 /nfs/dbraw/zinc/87/76/21/584877621.db2.gz DPUUIGUMXCGZPC-ZWNOBZJWSA-N 2 0 219.332 0.843 20 0 BCADRP CC(C)([NH3+])CC[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904385841 584877693 /nfs/dbraw/zinc/87/76/93/584877693.db2.gz HJNBJLCDGUKSKN-UHFFFAOYSA-N 3 0 228.384 0.127 20 0 BCADRP C[C@H]1C[N@H+](Cc2ccc(N)nn2)CC[C@H]1C[NH3+] ZINC000904409587 584878955 /nfs/dbraw/zinc/87/89/55/584878955.db2.gz CWTRJHVOHLVTIE-UWVGGRQHSA-N 2 0 235.335 0.476 20 0 BCADRP C[C@@H]1C[N@H+](Cc2nccn2C)CC[C@@H]1C[NH3+] ZINC000904411228 584879644 /nfs/dbraw/zinc/87/96/44/584879644.db2.gz KEHIRVHIURTROZ-GHMZBOCLSA-N 2 0 222.336 0.837 20 0 BCADRP C[C@H]1C[N@H+](Cc2nccn2C)CC[C@@H]1C[NH3+] ZINC000904411231 584879812 /nfs/dbraw/zinc/87/98/12/584879812.db2.gz KEHIRVHIURTROZ-WDEREUQCSA-N 2 0 222.336 0.837 20 0 BCADRP C[C@@H]1C[N@H+](Cc2cnnn2C)CC[C@H]1C[NH3+] ZINC000904411924 584879834 /nfs/dbraw/zinc/87/98/34/584879834.db2.gz QFDAXPVLBUBSJC-ZJUUUORDSA-N 2 0 223.324 0.232 20 0 BCADRP C1=C(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)COCC1 ZINC000904420212 584881910 /nfs/dbraw/zinc/88/19/10/584881910.db2.gz GTGLNCQDRSHKDH-QWHCGFSZSA-N 2 0 222.332 0.874 20 0 BCADRP C(N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000904420670 584882231 /nfs/dbraw/zinc/88/22/31/584882231.db2.gz TUDQHKGFADKXLA-LOWDOPEQSA-N 2 0 221.348 0.137 20 0 BCADRP CC(C)C[C@H]([NH3+])CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420718 584882259 /nfs/dbraw/zinc/88/22/59/584882259.db2.gz UTLCQWPHUPZABW-XQQFMLRXSA-N 2 0 225.380 0.901 20 0 BCADRP CC[NH2+]CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876521539 584885603 /nfs/dbraw/zinc/88/56/03/584885603.db2.gz QCKDCBVPUQJHIQ-PWSUYJOCSA-N 2 0 225.336 0.244 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876534260 584885979 /nfs/dbraw/zinc/88/59/79/584885979.db2.gz ASQVOZIOVLQUST-NQBHXWOUSA-N 2 0 241.379 0.994 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000884020697 584897799 /nfs/dbraw/zinc/89/77/99/584897799.db2.gz GYYBKGHDMMFZPW-WDEREUQCSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000884020696 584897801 /nfs/dbraw/zinc/89/78/01/584897801.db2.gz GYYBKGHDMMFZPW-QWRGUYRKSA-N 2 0 239.363 0.442 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)C[C@H]([NH3+])C2CC2)CC[NH2+]1 ZINC000834672775 584914558 /nfs/dbraw/zinc/91/45/58/584914558.db2.gz HIHGLWYXYWLYKB-MIMYLULJSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)c1cccc(C[NH3+])c1 ZINC000834822738 584914915 /nfs/dbraw/zinc/91/49/15/584914915.db2.gz YYPUOUDLXQFVQR-IUCAKERBSA-N 2 0 221.304 0.611 20 0 BCADRP Cn1ncc(C[NH2+]CC2CC[NH+](C3CC3)CC2)n1 ZINC000815137798 584972917 /nfs/dbraw/zinc/97/29/17/584972917.db2.gz MQZSWWSYGYEQNG-UHFFFAOYSA-N 2 0 249.362 0.779 20 0 BCADRP Cn1ncc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)n1 ZINC000839181890 585096867 /nfs/dbraw/zinc/09/68/67/585096867.db2.gz KAADDWBFUFEURY-LLVKDONJSA-N 2 0 237.351 0.637 20 0 BCADRP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@@H+]2C)CCC1 ZINC000763042913 585442241 /nfs/dbraw/zinc/44/22/41/585442241.db2.gz DQUHSBCHZSRHSV-LLVKDONJSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H](CCO)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000770000370 585569052 /nfs/dbraw/zinc/56/90/52/585569052.db2.gz CODHEIXYDLDLLS-QWHCGFSZSA-N 2 0 243.395 0.373 20 0 BCADRP OC[C@H]([NH2+]CCC[NH2+][C@H](CO)C1CC1)C1CC1 ZINC000771809117 585600723 /nfs/dbraw/zinc/60/07/23/585600723.db2.gz QTLUTYRDSVQAEM-BETUJISGSA-N 2 0 242.363 0.098 20 0 BCADRP CC[NH+](CC)CC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000773195336 585633428 /nfs/dbraw/zinc/63/34/28/585633428.db2.gz XAYGVXRGHBSCLD-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP O=CN1CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000774110019 585650589 /nfs/dbraw/zinc/65/05/89/585650589.db2.gz ALEJWKOHFVEATF-UHFFFAOYSA-N 2 0 239.363 0.683 20 0 BCADRP CON(C)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000774554908 585661115 /nfs/dbraw/zinc/66/11/15/585661115.db2.gz HRZDBAVUUWLOOW-UHFFFAOYSA-N 2 0 243.351 0.280 20 0 BCADRP C[N@@H+]1CCC[C@@H]2CN(Cn3cnnc3)CC[C@H]21 ZINC000776764451 585703904 /nfs/dbraw/zinc/70/39/04/585703904.db2.gz OYMSCGBJWLKABW-VXGBXAGGSA-N 2 0 235.335 0.652 20 0 BCADRP C[N@H+](CC1CC1)C[C@H]1CCN(Cn2cnnc2)C1 ZINC000776759781 585704631 /nfs/dbraw/zinc/70/46/31/585704631.db2.gz FLWCGEQJWSJUGD-CYBMUJFWSA-N 2 0 249.362 0.899 20 0 BCADRP C[N@H+](CC1CC1)C[C@@H]1CCN(Cn2cnnc2)C1 ZINC000776759782 585704816 /nfs/dbraw/zinc/70/48/16/585704816.db2.gz FLWCGEQJWSJUGD-ZDUSSCGKSA-N 2 0 249.362 0.899 20 0 BCADRP CC[NH+]1CCC(N(C)CC2OCCO2)CC1 ZINC000777593983 585716557 /nfs/dbraw/zinc/71/65/57/585716557.db2.gz CIWBAPGFRRWRFQ-UHFFFAOYSA-N 2 0 228.336 0.775 20 0 BCADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)CCO)CC1 ZINC000779342033 585751705 /nfs/dbraw/zinc/75/17/05/585751705.db2.gz QHBTYSWWAPZYHG-CHWSQXEVSA-N 2 0 243.395 0.373 20 0 BCADRP C[C@H](CCO)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000779346414 585752143 /nfs/dbraw/zinc/75/21/43/585752143.db2.gz WNKLHWLSORAASX-CYBMUJFWSA-N 2 0 243.395 0.375 20 0 BCADRP C[C@@H](CCO)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000779387913 585752967 /nfs/dbraw/zinc/75/29/67/585752967.db2.gz NYIITFOGJCZGME-ZDUSSCGKSA-N 2 0 243.395 0.375 20 0 BCADRP C[C@H](C[NH2+][C@H](C)CCO)CN1CC[NH+](C)CC1 ZINC000779398147 585753238 /nfs/dbraw/zinc/75/32/38/585753238.db2.gz DPTLEYMSMUMMNU-CHWSQXEVSA-N 2 0 243.395 0.230 20 0 BCADRP C[C@H](CCO)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000779404891 585753614 /nfs/dbraw/zinc/75/36/14/585753614.db2.gz MOHLAPZTZSZWFN-CHWSQXEVSA-N 2 0 244.379 0.584 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782606680 585821573 /nfs/dbraw/zinc/82/15/73/585821573.db2.gz HXFIMJVLPZHVAL-UPJWGTAASA-N 2 0 224.348 0.785 20 0 BCADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCO ZINC000795143820 586069216 /nfs/dbraw/zinc/06/92/16/586069216.db2.gz NHDOKTNJPOHJHU-NSHDSACASA-N 2 0 221.304 0.584 20 0 BCADRP C[S@](=O)CC[NH+]1CCC(n2ccnc2)CC1 ZINC000798196850 586140068 /nfs/dbraw/zinc/14/00/68/586140068.db2.gz NCWMQFDMIIOAFF-INIZCTEOSA-N 2 0 241.360 0.899 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000817891019 586831826 /nfs/dbraw/zinc/83/18/26/586831826.db2.gz DPDJSILCKWMTBN-VXGBXAGGSA-N 2 0 241.379 0.833 20 0 BCADRP [NH3+]Cc1cccc(C(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000818523959 586897291 /nfs/dbraw/zinc/89/72/91/586897291.db2.gz NSYGUYSJJZJCFQ-GFCCVEGCSA-N 2 0 233.315 0.612 20 0 BCADRP CC[NH2+]CC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000818527312 586897890 /nfs/dbraw/zinc/89/78/90/586897890.db2.gz YHUKXZIQOOXLIS-JTQLQIEISA-N 2 0 235.331 0.932 20 0 BCADRP CC(C)(C[NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818534930 586898334 /nfs/dbraw/zinc/89/83/34/586898334.db2.gz QCZPPIKNMGWYOF-UHFFFAOYSA-N 2 0 249.358 0.789 20 0 BCADRP C[C@@H](C(=O)NCc1ccc(CC[NH3+])cc1)[C@H](C)[NH3+] ZINC000818535004 586898401 /nfs/dbraw/zinc/89/84/01/586898401.db2.gz BCDIMLBRTMFSBU-MNOVXSKESA-N 2 0 249.358 0.787 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818534739 586898448 /nfs/dbraw/zinc/89/84/48/586898448.db2.gz LKUCBRVQWRGEGN-LLVKDONJSA-N 2 0 249.358 0.660 20 0 BCADRP [NH3+]Cc1cccc(C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000818541637 586898790 /nfs/dbraw/zinc/89/87/90/586898790.db2.gz DGTYHAACYJMXAB-GFCCVEGCSA-N 2 0 233.315 0.627 20 0 BCADRP [NH3+]CCOc1cccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])c1 ZINC000818542465 586899137 /nfs/dbraw/zinc/89/91/37/586899137.db2.gz MFNCFCANCWQKGK-MNOVXSKESA-N 2 0 235.287 0.310 20 0 BCADRP CC[NH2+]CC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000818565451 586901798 /nfs/dbraw/zinc/90/17/98/586901798.db2.gz YEKZGKSOAJLBHH-SNVBAGLBSA-N 2 0 248.330 0.446 20 0 BCADRP CC[NH2+]CC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000818565280 586902145 /nfs/dbraw/zinc/90/21/45/586902145.db2.gz VMLFEIFPDLYPRU-UHFFFAOYSA-N 2 0 234.303 0.275 20 0 BCADRP CC[NH2+]CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000818594479 586904856 /nfs/dbraw/zinc/90/48/56/586904856.db2.gz HRWVPDMMRQEJGE-VIFPVBQESA-N 2 0 213.325 0.100 20 0 BCADRP CON(C)C(=O)CC[NH2+][C@@H](C)CC[NH+](C)C ZINC000819060864 586928288 /nfs/dbraw/zinc/92/82/88/586928288.db2.gz QRPKMFCUVMFGAA-JTQLQIEISA-N 2 0 231.340 0.326 20 0 BCADRP C[N@H+](CCCC[NH2+]CCS(C)(=O)=O)C1CC1 ZINC000819360191 586957163 /nfs/dbraw/zinc/95/71/63/586957163.db2.gz APGHYDRAABBNMG-UHFFFAOYSA-N 2 0 248.392 0.495 20 0 BCADRP C[N@@H+]1CCC[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC000819366516 586957684 /nfs/dbraw/zinc/95/76/84/586957684.db2.gz RDGQMJLSBMVOMH-LLVKDONJSA-N 2 0 248.392 0.353 20 0 BCADRP C[C@H](C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000820621853 587059521 /nfs/dbraw/zinc/05/95/21/587059521.db2.gz RODHCUHCMHPTLQ-GRYCIOLGSA-N 2 0 241.379 0.926 20 0 BCADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cnnn1C ZINC000820810020 587073971 /nfs/dbraw/zinc/07/39/71/587073971.db2.gz NDZGHDLUXMPBJO-JTQLQIEISA-N 2 0 237.351 0.808 20 0 BCADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC000823002269 587197559 /nfs/dbraw/zinc/19/75/59/587197559.db2.gz SEHRYLFYZXDEGR-LBPRGKRZSA-N 2 0 241.379 0.927 20 0 BCADRP CC(C)N(C)Cc1nc(N2CC[NH2+]CC2)no1 ZINC000823334374 587216709 /nfs/dbraw/zinc/21/67/09/587216709.db2.gz DNOJKWNRJCTOAD-UHFFFAOYSA-N 2 0 239.323 0.319 20 0 BCADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C[NH+]1CCCC1 ZINC000823753466 587239882 /nfs/dbraw/zinc/23/98/82/587239882.db2.gz PEEOQKBYCYLKCB-GFCCVEGCSA-N 2 0 239.363 0.635 20 0 BCADRP CC[N@H+](CCNC(=O)C1([NH+](C)C)CC1)C(C)C ZINC000827591796 587391482 /nfs/dbraw/zinc/39/14/82/587391482.db2.gz YHVBRJNVMKXCDZ-UHFFFAOYSA-N 2 0 241.379 0.927 20 0 BCADRP CC[N@H+](CCNC(=O)C[C@@H]([NH3+])C1CC1)C(C)C ZINC000828318445 587434742 /nfs/dbraw/zinc/43/47/42/587434742.db2.gz PSYCDEGYJMIBRC-GFCCVEGCSA-N 2 0 241.379 0.960 20 0 BCADRP CCCC[N@H+](C)CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000829478883 587499798 /nfs/dbraw/zinc/49/97/98/587499798.db2.gz NDOZNJHVTXVUHT-GFCCVEGCSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@]2(F)CC[NH2+]C2)CC[N@@H+]1C ZINC000830463207 587552197 /nfs/dbraw/zinc/55/21/97/587552197.db2.gz LHDYPEXRVQJWBU-SCVCMEIPSA-N 2 0 243.326 0.287 20 0 BCADRP [NH3+]CCCCCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000831178115 587589505 /nfs/dbraw/zinc/58/95/05/587589505.db2.gz IRBJROIITKJEQZ-LLVKDONJSA-N 2 0 242.367 0.557 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)NCCCCCC[NH3+] ZINC000831196950 587591199 /nfs/dbraw/zinc/59/11/99/587591199.db2.gz HFZQGQCIPODOIR-UWVGGRQHSA-N 2 0 230.356 0.540 20 0 BCADRP [NH3+]CCCCCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000831290912 587595982 /nfs/dbraw/zinc/59/59/82/587595982.db2.gz HNWOAQAFQMQFEX-LLVKDONJSA-N 2 0 242.367 0.638 20 0 BCADRP C[C@@H]1CN(C(=O)NCCCCCC[NH3+])CC[NH2+]1 ZINC000831290583 587596015 /nfs/dbraw/zinc/59/60/15/587596015.db2.gz CWCCLXMORQWSSU-LLVKDONJSA-N 2 0 242.367 0.509 20 0 BCADRP C[C@H]1CN(C(=O)CCCCC[NH3+])[C@@H](C)C[NH2+]1 ZINC000831540221 587617723 /nfs/dbraw/zinc/61/77/23/587617723.db2.gz MHLIWCYDEFUQIY-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]1CN(C(=O)c2cccc(C[NH3+])c2)CC[NH2+]1 ZINC000831578309 587620069 /nfs/dbraw/zinc/62/00/69/587620069.db2.gz NTMMWIXDJITGPI-SNVBAGLBSA-N 2 0 233.315 0.579 20 0 BCADRP C[C@H]1CN(C(=O)c2cccc(C[NH3+])c2)CC[NH2+]1 ZINC000831611257 587623639 /nfs/dbraw/zinc/62/36/39/587623639.db2.gz NTMMWIXDJITGPI-JTQLQIEISA-N 2 0 233.315 0.579 20 0 BCADRP [NH3+]CCCCCC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000831700985 587628030 /nfs/dbraw/zinc/62/80/30/587628030.db2.gz SUCDKGHCOQKMNU-NWDGAFQWSA-N 2 0 239.363 0.716 20 0 BCADRP C[C@@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)[NH+]1CCCC1 ZINC000831822332 587633308 /nfs/dbraw/zinc/63/33/08/587633308.db2.gz FAVOMQNZJMNXSA-CMPLNLGQSA-N 2 0 243.326 0.289 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCNC(=O)CCCC[NH3+] ZINC000831970290 587640070 /nfs/dbraw/zinc/64/00/70/587640070.db2.gz BROFNXQTAJNSQU-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C[NH2+]CC1CC1 ZINC000831971062 587640352 /nfs/dbraw/zinc/64/03/52/587640352.db2.gz QLBIFGLQJQDKQK-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C(C)(C)C[NH3+] ZINC000831970688 587640394 /nfs/dbraw/zinc/64/03/94/587640394.db2.gz KKISVQBPBABZIM-SNVBAGLBSA-N 2 0 227.352 0.572 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831971264 587640575 /nfs/dbraw/zinc/64/05/75/587640575.db2.gz UPEAVNDDJBAVLO-VWYCJHECSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[NH2+]CCC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831970981 587640778 /nfs/dbraw/zinc/64/07/78/587640778.db2.gz PARDLFWTBPFRRI-LBPRGKRZSA-N 2 0 241.379 0.975 20 0 BCADRP CC[NH2+]CCCNC(=O)c1cccc(C[NH3+])c1 ZINC000832382982 587657006 /nfs/dbraw/zinc/65/70/06/587657006.db2.gz IXRFMDDXERHTTI-UHFFFAOYSA-N 2 0 235.331 0.875 20 0 BCADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH3+])C2)CC[N@@H+]1C ZINC000832452824 587660665 /nfs/dbraw/zinc/66/06/65/587660665.db2.gz XNVLGVZKCDKMPE-GRYCIOLGSA-N 2 0 239.363 0.524 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000832458421 587661084 /nfs/dbraw/zinc/66/10/84/587661084.db2.gz GTRTWGXZZOPTHC-VHSXEESVSA-N 2 0 225.336 0.182 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000832458991 587661284 /nfs/dbraw/zinc/66/12/84/587661284.db2.gz NBJUCBZIUGUQHW-JTQLQIEISA-N 2 0 225.336 0.455 20 0 BCADRP [NH3+]Cc1cccc(C(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000832458042 587661311 /nfs/dbraw/zinc/66/13/11/587661311.db2.gz BFHISIXCHPYNAQ-GFCCVEGCSA-N 2 0 247.342 0.956 20 0 BCADRP C[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000832498182 587663473 /nfs/dbraw/zinc/66/34/73/587663473.db2.gz WSTDJXVXKJDDAP-NHCYSSNCSA-N 2 0 243.326 0.192 20 0 BCADRP C[C@@H]([NH3+])C1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000832591704 587668306 /nfs/dbraw/zinc/66/83/06/587668306.db2.gz IFJUUTIRAPHKAH-BXKDBHETSA-N 2 0 239.363 0.700 20 0 BCADRP [NH3+]CCCCCC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000832630458 587670610 /nfs/dbraw/zinc/67/06/10/587670610.db2.gz KFGCRKQYGGKBNP-LLVKDONJSA-N 2 0 227.352 0.621 20 0 BCADRP [NH3+]Cc1cccc(C(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000832630426 587670685 /nfs/dbraw/zinc/67/06/85/587670685.db2.gz JLETUDXWVRQZPO-NSHDSACASA-N 2 0 247.342 0.875 20 0 BCADRP [NH3+][C@H](CC(=O)NCC[C@H]1CC[NH2+]C1)C1CC1 ZINC000832630648 587671193 /nfs/dbraw/zinc/67/11/93/587671193.db2.gz UBIFJDSKXRHYNH-MWLCHTKSSA-N 2 0 225.336 0.230 20 0 BCADRP C[C@@H]1CN(C(=O)c2cccc(C[NH3+])c2)CC[C@H]1[NH3+] ZINC000832737515 587681372 /nfs/dbraw/zinc/68/13/72/587681372.db2.gz XEPDNFDIZNGGQR-ZWNOBZJWSA-N 2 0 247.342 0.955 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)CC[C@@H]1[NH3+] ZINC000832736880 587681485 /nfs/dbraw/zinc/68/14/85/587681485.db2.gz FRCUJEHRQFMVCU-WCFLWFBJSA-N 2 0 247.342 0.882 20 0 BCADRP [NH3+]CCCCCCC(=O)N[C@H](C[NH3+])C1CC1 ZINC000832786595 587689681 /nfs/dbraw/zinc/68/96/81/587689681.db2.gz ZQDNQNIEVVUCME-LLVKDONJSA-N 2 0 227.352 0.749 20 0 BCADRP O=C(N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@@]1(F)CC[NH2+]C1 ZINC000832808843 587691431 /nfs/dbraw/zinc/69/14/31/587691431.db2.gz QSUYPMRTYXSTDG-JFGNBEQYSA-N 2 0 241.310 0.041 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000834419658 587754573 /nfs/dbraw/zinc/75/45/73/587754573.db2.gz FJUXZKHCMRPNNX-SNVBAGLBSA-N 2 0 213.325 0.149 20 0 BCADRP C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000834419666 587755051 /nfs/dbraw/zinc/75/50/51/587755051.db2.gz HBYANTUPCLFHNS-NXEZZACHSA-N 2 0 213.325 0.004 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000834460378 587755513 /nfs/dbraw/zinc/75/55/13/587755513.db2.gz KGVCOLUDQOWARP-WOPDTQHZSA-N 2 0 239.363 0.714 20 0 BCADRP [NH3+]CCCCCCC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000834528718 587758933 /nfs/dbraw/zinc/75/89/33/587758933.db2.gz IWLIWZNRLYXBMM-LLVKDONJSA-N 2 0 243.351 0.082 20 0 BCADRP [NH3+][C@@H](CC(=O)N[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000834582183 587759856 /nfs/dbraw/zinc/75/98/56/587759856.db2.gz FLSKMLUJWCETEI-MNOVXSKESA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000834598257 587760292 /nfs/dbraw/zinc/76/02/92/587760292.db2.gz ANPNPWWUQXYJLW-QWRGUYRKSA-N 2 0 227.352 0.892 20 0 BCADRP C[C@H](CC(=O)N[C@@H](C)C[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000834608629 587760459 /nfs/dbraw/zinc/76/04/59/587760459.db2.gz HZCOIIQNDBMWFX-OUAUKWLOSA-N 2 0 227.352 0.476 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000834608654 587760687 /nfs/dbraw/zinc/76/06/87/587760687.db2.gz LUSBHHXBDUKMBD-ONGXEEELSA-N 2 0 221.304 0.540 20 0 BCADRP C[C@@]1(C[NH3+])CCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000834722979 587765013 /nfs/dbraw/zinc/76/50/13/587765013.db2.gz LMDJKWWNEQDCES-PWSUYJOCSA-N 2 0 225.336 0.311 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000834791295 587767146 /nfs/dbraw/zinc/76/71/46/587767146.db2.gz GRLFLYUYLRFALL-GXSJLCMTSA-N 2 0 237.347 0.385 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)C[C@H]([NH3+])C1CC1 ZINC000834813312 587767430 /nfs/dbraw/zinc/76/74/30/587767430.db2.gz KHOLOWNXXGZRNB-SCZZXKLOSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)CCCCCC[NH3+] ZINC000834821221 587767806 /nfs/dbraw/zinc/76/78/06/587767806.db2.gz LZFIHNZUBJFUJE-ZJUUUORDSA-N 2 0 215.341 0.748 20 0 BCADRP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000834846070 587768525 /nfs/dbraw/zinc/76/85/25/587768525.db2.gz MRDVFXSONAYKIM-JGVFFNPUSA-N 2 0 247.289 0.098 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000834862707 587768684 /nfs/dbraw/zinc/76/86/84/587768684.db2.gz XAIVDCSLRDIJRM-GHMZBOCLSA-N 2 0 227.352 0.749 20 0 BCADRP CC1([C@@H]2CCC[N@H+](CCC[NH3+])C2)OCCO1 ZINC000841011429 587935468 /nfs/dbraw/zinc/93/54/68/587935468.db2.gz IHPLIQLFDUZPRO-LLVKDONJSA-N 2 0 228.336 0.810 20 0 BCADRP [NH3+]CCc1ccc(CN[C@@H]2CC[NH2+]C2)cc1 ZINC000841035294 587936941 /nfs/dbraw/zinc/93/69/41/587936941.db2.gz ZNGQNDCGYKNQFH-CYBMUJFWSA-N 3 0 219.332 0.639 20 0 BCADRP [NH3+]CCN(CCO)Cc1cccc2cnccc21 ZINC000841058494 587940931 /nfs/dbraw/zinc/94/09/31/587940931.db2.gz HVKNQJQZKQQPLI-UHFFFAOYSA-N 2 0 245.326 0.988 20 0 BCADRP C[NH+](C)C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC000841455409 587955445 /nfs/dbraw/zinc/95/54/45/587955445.db2.gz QQGJHYBCLLUREJ-UHFFFAOYSA-N 2 0 239.363 0.681 20 0 BCADRP C[C@H](CNC(=O)NCC[NH3+])[NH+]1CCCCC1 ZINC000841724467 587973118 /nfs/dbraw/zinc/97/31/18/587973118.db2.gz FYEAQJIMMUXVLO-SNVBAGLBSA-N 2 0 228.340 0.119 20 0 BCADRP C[NH+](C)CCCCCCCNC(=O)NCC[NH3+] ZINC000841741053 587973676 /nfs/dbraw/zinc/97/36/76/587973676.db2.gz QXNURAZKTYQGLL-UHFFFAOYSA-N 2 0 244.383 0.756 20 0 BCADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000841831018 587976424 /nfs/dbraw/zinc/97/64/24/587976424.db2.gz DJRGPWUVTNAXKJ-ONGXEEELSA-N 2 0 240.351 0.117 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841846169 587977139 /nfs/dbraw/zinc/97/71/39/587977139.db2.gz OYKLVTHYSIMEFN-ZDUSSCGKSA-N 2 0 249.358 0.787 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000841846198 587977497 /nfs/dbraw/zinc/97/74/97/587977497.db2.gz KTXKVVJPVLPEMO-MVWJERBFSA-N 2 0 239.363 0.842 20 0 BCADRP [NH3+]CCc1ccc(CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000841845743 587977507 /nfs/dbraw/zinc/97/75/07/587977507.db2.gz IVBFOQSHTYFMJW-CYBMUJFWSA-N 2 0 247.342 0.556 20 0 BCADRP [NH3+]CC1(NC(=O)C[C@H]([NH3+])C2CC2)CCCC1 ZINC000841848488 587977514 /nfs/dbraw/zinc/97/75/14/587977514.db2.gz IYLKONPGABKVCD-JTQLQIEISA-N 2 0 225.336 0.502 20 0 BCADRP O=C(N(C1CC1)[C@H]1CC[NH2+]C1)[C@@]1(F)CC[NH2+]C1 ZINC000841848625 587977681 /nfs/dbraw/zinc/97/76/81/587977681.db2.gz SUFYJZZHKRBFRT-CMPLNLGQSA-N 2 0 241.310 0.041 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)C[C@H]([NH3+])C1CC1 ZINC000841848853 587977912 /nfs/dbraw/zinc/97/79/12/587977912.db2.gz HFJUTBKGOQEBSR-AAEUAGOBSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000841849034 587977955 /nfs/dbraw/zinc/97/79/55/587977955.db2.gz MSLRUUOHPRFQRB-ZYHUDNBSSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@@H]1C(=O)NCCN1CCCCCCC[NH3+] ZINC000842472164 588029476 /nfs/dbraw/zinc/02/94/76/588029476.db2.gz TXWGVRXAONMOIF-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[C@H]1CCN(C(=O)CCCCC[NH3+])C[C@@H]1C[NH3+] ZINC000842508916 588031587 /nfs/dbraw/zinc/03/15/87/588031587.db2.gz FPGUFHPZCCCPFE-RYUDHWBXSA-N 2 0 241.379 0.949 20 0 BCADRP [NH3+][C@@H](CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1)C1CC1 ZINC000842514318 588032092 /nfs/dbraw/zinc/03/20/92/588032092.db2.gz WHOVBWMKFIKUJU-AAEUAGOBSA-N 2 0 237.347 0.468 20 0 BCADRP [NH3+][C@@H](CC(=O)N1CCC2(CC[NH2+]2)CC1)C1CC1 ZINC000842512508 588032198 /nfs/dbraw/zinc/03/21/98/588032198.db2.gz PJOGLHIGUGCWBC-NSHDSACASA-N 2 0 237.347 0.468 20 0 BCADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842512741 588032227 /nfs/dbraw/zinc/03/22/27/588032227.db2.gz MTZJPTCNHPORAF-FPMFFAJLSA-N 2 0 249.358 0.341 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842514557 588032336 /nfs/dbraw/zinc/03/23/36/588032336.db2.gz XZJQBSGBCPBACG-KOLCDFICSA-N 2 0 211.309 0.078 20 0 BCADRP [NH3+][C@H](Cc1nc(C2([NH3+])CCC2)no1)C1CC1 ZINC000842617399 588046435 /nfs/dbraw/zinc/04/64/35/588046435.db2.gz RKDNTWGLJOCUGR-MRVPVSSYSA-N 2 0 222.292 0.687 20 0 BCADRP [NH3+]CCCCCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000843343289 588101246 /nfs/dbraw/zinc/10/12/46/588101246.db2.gz ZCKUUHORWJCMNQ-LLVKDONJSA-N 2 0 248.392 0.672 20 0 BCADRP C[C@H](C[C@H]1COCCN1)[NH2+]CCCCCC[NH3+] ZINC000843344031 588101318 /nfs/dbraw/zinc/10/13/18/588101318.db2.gz MQIXIQWDVLALHC-OLZOCXBDSA-N 2 0 243.395 0.862 20 0 BCADRP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)C1CCC([NH3+])CC1 ZINC000843354371 588103310 /nfs/dbraw/zinc/10/33/10/588103310.db2.gz BWKMFLAQCYOWOT-NGXUNHMNSA-N 2 0 225.336 0.452 20 0 BCADRP CC[NH2+]CC(=O)N1CCC(CC[NH2+]C)CC1 ZINC000843452832 588111681 /nfs/dbraw/zinc/11/16/81/588111681.db2.gz SLRGILOHSNISAK-UHFFFAOYSA-N 2 0 227.352 0.444 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000843463977 588113142 /nfs/dbraw/zinc/11/31/42/588113142.db2.gz LGIDPYRHSCRYJY-DCAQKATOSA-N 2 0 225.336 0.100 20 0 BCADRP C[C@@]1(C(=O)NCCCCCC[NH3+])CCC[NH2+]1 ZINC000843512878 588115951 /nfs/dbraw/zinc/11/59/51/588115951.db2.gz SWXZZTSVEXSNEH-LBPRGKRZSA-N 2 0 227.352 0.764 20 0 BCADRP Nc1cc[nH+]cc1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000843501772 588116891 /nfs/dbraw/zinc/11/68/91/588116891.db2.gz PREQQLJQPLKILT-CYBMUJFWSA-N 2 0 246.314 0.462 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000843505796 588117139 /nfs/dbraw/zinc/11/71/39/588117139.db2.gz NHPOVIOXEBPHIQ-LLVKDONJSA-N 2 0 231.315 0.323 20 0 BCADRP [NH3+]CCCCCC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000843504736 588117220 /nfs/dbraw/zinc/11/72/20/588117220.db2.gz FZTIHJSIOUGSGG-GHMZBOCLSA-N 2 0 227.352 0.892 20 0 BCADRP CC[NH2+]CC(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000843505301 588117432 /nfs/dbraw/zinc/11/74/32/588117432.db2.gz JJIYCUBHUQIOID-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]CCCCCCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000843511742 588117601 /nfs/dbraw/zinc/11/76/01/588117601.db2.gz JZORCCSTISQHFP-LLVKDONJSA-N 2 0 227.352 0.749 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCCCC[NH3+] ZINC000843512486 588117662 /nfs/dbraw/zinc/11/76/62/588117662.db2.gz NHCOOZKBNMYMFZ-MNOVXSKESA-N 2 0 227.352 0.620 20 0 BCADRP CC[NH2+]CC(=O)NCCC[NH+]1CCCCCC1 ZINC000844165977 588170091 /nfs/dbraw/zinc/17/00/91/588170091.db2.gz TZUVIGMSGSLCOR-UHFFFAOYSA-N 2 0 241.379 0.978 20 0 BCADRP CC[NH2+]CC(=O)NCCCC[NH+](CC)CC ZINC000844170957 588171428 /nfs/dbraw/zinc/17/14/28/588171428.db2.gz VLVMSKSNQLVVET-UHFFFAOYSA-N 2 0 229.368 0.834 20 0 BCADRP [NH3+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC000844162441 588171607 /nfs/dbraw/zinc/17/16/07/588171607.db2.gz QXFGEFQLUCKLBN-UHFFFAOYSA-N 2 0 213.325 0.327 20 0 BCADRP CC[NH2+]CC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000844170725 588171628 /nfs/dbraw/zinc/17/16/28/588171628.db2.gz AOYHPFQGWMLTCK-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP C[NH+]1CCN(c2ccccc2NC(=O)C[NH3+])CC1 ZINC000844191950 588172740 /nfs/dbraw/zinc/17/27/40/588172740.db2.gz UYFFZALPEVQNGC-UHFFFAOYSA-N 2 0 248.330 0.336 20 0 BCADRP CN(CC[NH3+])C(=O)CCCC[NH+]1CCCC1 ZINC000844198950 588173171 /nfs/dbraw/zinc/17/31/71/588173171.db2.gz PAMGXRYFJSROOG-UHFFFAOYSA-N 2 0 227.352 0.670 20 0 BCADRP CCCN(CC[NH+](C)C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000844202800 588174006 /nfs/dbraw/zinc/17/40/06/588174006.db2.gz OLFSUMFHYJOJIE-LBPRGKRZSA-N 2 0 245.342 0.488 20 0 BCADRP C[C@H]([NH3+])[C@H]1CN(CCCCCC[NH3+])CCO1 ZINC000846217738 588260378 /nfs/dbraw/zinc/26/03/78/588260378.db2.gz NWDSLTCQZUBECU-NWDGAFQWSA-N 3 0 229.368 0.554 20 0 BCADRP C[C@@H]([NH3+])[C@@H]1CN(CCCCCC[NH3+])CCO1 ZINC000846217737 588260495 /nfs/dbraw/zinc/26/04/95/588260495.db2.gz NWDSLTCQZUBECU-NEPJUHHUSA-N 3 0 229.368 0.554 20 0 BCADRP [NH3+]CCCCCCN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000846220731 588261164 /nfs/dbraw/zinc/26/11/64/588261164.db2.gz OKWPKXRSDGYGCQ-NEPJUHHUSA-N 2 0 211.353 0.799 20 0 BCADRP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000846686688 588282839 /nfs/dbraw/zinc/28/28/39/588282839.db2.gz LRAGZBRWNKUOSW-MNOVXSKESA-N 2 0 227.352 0.428 20 0 BCADRP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000846690641 588283272 /nfs/dbraw/zinc/28/32/72/588283272.db2.gz DQFFJMXUZOWNEH-NEPJUHHUSA-N 2 0 233.315 0.369 20 0 BCADRP CC[NH2+]CC(=O)N1CCC(CC[NH3+])CC1 ZINC000846698757 588283331 /nfs/dbraw/zinc/28/33/31/588283331.db2.gz IWESWRQYJPAZTM-UHFFFAOYSA-N 2 0 213.325 0.183 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000846741380 588284114 /nfs/dbraw/zinc/28/41/14/588284114.db2.gz AOYLFPGGIIDHEI-FBIMIBRVSA-N 2 0 225.336 0.452 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NCCCCCC[NH3+] ZINC000848430080 588383711 /nfs/dbraw/zinc/38/37/11/588383711.db2.gz CGEIFVMKROIUBP-VIFPVBQESA-N 2 0 201.314 0.230 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000848431875 588384161 /nfs/dbraw/zinc/38/41/61/588384161.db2.gz PYXGIZCSQSASDD-JFGNBEQYSA-N 2 0 243.326 0.144 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C[C@H]([NH3+])C1CC1)C(F)(F)F ZINC000848438208 588385088 /nfs/dbraw/zinc/38/50/88/588385088.db2.gz QVIATTFJAZJTRJ-NKWVEPMBSA-N 2 0 239.241 0.120 20 0 BCADRP C[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)C1C[NH2+]C1 ZINC000848721035 588408389 /nfs/dbraw/zinc/40/83/89/588408389.db2.gz GNNFGMMPVRGVAD-KWQFWETISA-N 2 0 239.319 0.167 20 0 BCADRP Cn1cc([C@H](O)C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000848718716 588408621 /nfs/dbraw/zinc/40/86/21/588408621.db2.gz QCBMHDNGKGFCQO-QJPTWQEYSA-N 2 0 238.335 0.313 20 0 BCADRP CC[NH+](CC)CCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000848980563 588423287 /nfs/dbraw/zinc/42/32/87/588423287.db2.gz DJTRLKTXDSXBJJ-LLVKDONJSA-N 2 0 242.367 0.621 20 0 BCADRP CC[NH+](CC)CCNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000848980557 588423382 /nfs/dbraw/zinc/42/33/82/588423382.db2.gz BSVJIWISAWVKHK-LLVKDONJSA-N 2 0 242.367 0.573 20 0 BCADRP CC[NH+](CC)CCCNC(=[NH2+])N1CCC1 ZINC000848980804 588423721 /nfs/dbraw/zinc/42/37/21/588423721.db2.gz NEUZKURCASGJEF-UHFFFAOYSA-N 2 0 212.341 0.948 20 0 BCADRP C[C@H]1CN(C(=[NH2+])NCC(C)(C)[NH+](C)C)CCO1 ZINC000848981721 588424053 /nfs/dbraw/zinc/42/40/53/588424053.db2.gz ZDJPQKWGXNUYIY-JTQLQIEISA-N 2 0 242.367 0.572 20 0 BCADRP [NH2+]=C(NCCCC[NH+]1CCOCC1)N1CCC1 ZINC000848989441 588426175 /nfs/dbraw/zinc/42/61/75/588426175.db2.gz QRAOHVSLSIMEPU-UHFFFAOYSA-N 2 0 240.351 0.329 20 0 BCADRP CN(C)C(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000848992730 588427938 /nfs/dbraw/zinc/42/79/38/588427938.db2.gz RGMHLSAIGWNMIG-VIFPVBQESA-N 2 0 210.325 0.557 20 0 BCADRP C[NH+](C)[C@H](CNC(=[NH2+])N1CCC1)C1CC1 ZINC000848994978 588428655 /nfs/dbraw/zinc/42/86/55/588428655.db2.gz VCCJSVDJUGXBEH-SNVBAGLBSA-N 2 0 210.325 0.557 20 0 BCADRP [NH2+]=C(NCCNc1cc[nH+]cc1)N1CCC1 ZINC000848995200 588428674 /nfs/dbraw/zinc/42/86/74/588428674.db2.gz DREGBISIHIISDH-UHFFFAOYSA-N 2 0 219.292 0.145 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCC2)C1 ZINC000848996241 588429035 /nfs/dbraw/zinc/42/90/35/588429035.db2.gz MVJOKQPTPYPZMK-NSHDSACASA-N 2 0 224.352 0.947 20 0 BCADRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NCCOC)C1 ZINC000848997505 588429550 /nfs/dbraw/zinc/42/95/50/588429550.db2.gz MRRDMZPKYGNNLQ-LLVKDONJSA-N 2 0 242.367 0.479 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCC2)C1 ZINC000849005408 588432166 /nfs/dbraw/zinc/43/21/66/588432166.db2.gz QQRVZRPOPOJTLU-SNVBAGLBSA-N 2 0 210.325 0.558 20 0 BCADRP CCNC(=[NH2+])NC[C@H]1CCCC[N@@H+]1CC ZINC000849006008 588432720 /nfs/dbraw/zinc/43/27/20/588432720.db2.gz KMCILOLFACBBJD-SNVBAGLBSA-N 2 0 212.341 0.995 20 0 BCADRP CNC(=[NH2+])NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000849012643 588435498 /nfs/dbraw/zinc/43/54/98/588435498.db2.gz ICJJKTBXAQMDOI-SNVBAGLBSA-N 2 0 212.341 0.708 20 0 BCADRP CN(C)C(=[NH2+])NCC1(C)CC[NH+](C)CC1 ZINC000849016443 588437165 /nfs/dbraw/zinc/43/71/65/588437165.db2.gz COXSDOIRVGQHBU-UHFFFAOYSA-N 2 0 212.341 0.804 20 0 BCADRP CC[NH+](CC)CCOCCNC(=[NH2+])NC1CC1 ZINC000849018369 588437687 /nfs/dbraw/zinc/43/76/87/588437687.db2.gz OMXZMHAZFFWKBA-UHFFFAOYSA-N 2 0 242.367 0.621 20 0 BCADRP CC(C)NC(=[NH2+])NCCCN(C)CC[NH+](C)C ZINC000849028492 588441857 /nfs/dbraw/zinc/44/18/57/588441857.db2.gz ZJTRIYNFCOLYSF-UHFFFAOYSA-N 2 0 243.399 0.392 20 0 BCADRP C[C@@H](CNC(=[NH2+])NC1CCC1)C[NH+](C)C ZINC000849029992 588442190 /nfs/dbraw/zinc/44/21/90/588442190.db2.gz BZLUILQBHGJAJG-VIFPVBQESA-N 2 0 212.341 0.851 20 0 BCADRP C[C@@H](CNC(=[NH2+])N1CCOCC1)C[NH+](C)C ZINC000849030662 588442632 /nfs/dbraw/zinc/44/26/32/588442632.db2.gz RJDNONYNMCYITJ-JTQLQIEISA-N 2 0 228.340 0.041 20 0 BCADRP CNC(=[NH2+])NCCC[N@H+](C)CC(C)C ZINC000849046511 588450402 /nfs/dbraw/zinc/45/04/02/588450402.db2.gz ICBVQUHRXUJPRH-UHFFFAOYSA-N 2 0 200.330 0.708 20 0 BCADRP C[NH+](C)[C@H]1C[C@@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000849048423 588451121 /nfs/dbraw/zinc/45/11/21/588451121.db2.gz DQWSPRKRBDNCJI-PHIMTYICSA-N 2 0 240.351 0.183 20 0 BCADRP CNC(=[NH2+])NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000849049974 588451862 /nfs/dbraw/zinc/45/18/62/588451862.db2.gz XWTXGAHITSRJKP-BBBLOLIVSA-N 2 0 228.340 0.228 20 0 BCADRP C[C@H](Cn1cncn1)[NH2+]CCN1CCC[C@@H]1C ZINC000850440121 588546659 /nfs/dbraw/zinc/54/66/59/588546659.db2.gz WOIVUVRIMIYLCK-NEPJUHHUSA-N 2 0 237.351 0.741 20 0 BCADRP CC[N@@H+]1CC[C@@H]([NH2+]CCN(C)OC)[C@H](C)C1 ZINC000850480360 588551042 /nfs/dbraw/zinc/55/10/42/588551042.db2.gz QGXLQAALRPQFES-VXGBXAGGSA-N 2 0 229.368 0.800 20 0 BCADRP CC(C)[NH2+]CC(=O)N(C)C1CCC([NH3+])CC1 ZINC000851632793 588611926 /nfs/dbraw/zinc/61/19/26/588611926.db2.gz SPSYWHXHUDJCMM-UHFFFAOYSA-N 2 0 227.352 0.713 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)NCCCCCC[NH3+] ZINC000851669893 588614183 /nfs/dbraw/zinc/61/41/83/588614183.db2.gz WNUIPASXLDLTDJ-SNVBAGLBSA-N 2 0 230.356 0.413 20 0 BCADRP CC1(C)OC[C@H](CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)O1 ZINC000851732061 588619622 /nfs/dbraw/zinc/61/96/22/588619622.db2.gz IJIOPNDIZDYLJZ-UTUOFQBUSA-N 2 0 240.347 0.679 20 0 BCADRP CC1(C)OC[C@H](C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)O1 ZINC000851732877 588619818 /nfs/dbraw/zinc/61/98/18/588619818.db2.gz ZHAJNHFCADTLPM-MXWKQRLJSA-N 2 0 226.320 0.289 20 0 BCADRP CN(Cc1c[nH]cn1)C[C@H](O)C[NH+]1CCCC1 ZINC000852283832 588675801 /nfs/dbraw/zinc/67/58/01/588675801.db2.gz CBBMSYBKIZWQTL-LBPRGKRZSA-N 2 0 238.335 0.298 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCOC(F)F)C1 ZINC000852747017 588698951 /nfs/dbraw/zinc/69/89/51/588698951.db2.gz UNOWJWFYPBZYFW-SFYZADRCSA-N 2 0 208.252 0.895 20 0 BCADRP C([C@@H]1C[NH2+]CCO1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000852747893 588699724 /nfs/dbraw/zinc/69/97/24/588699724.db2.gz ASBFQOPVVPJVJM-QWHCGFSZSA-N 2 0 239.363 0.050 20 0 BCADRP N[C@@H]1C[N@H+](CCCCCC[NH3+])CC[C@H]1F ZINC000852762376 588700814 /nfs/dbraw/zinc/70/08/14/588700814.db2.gz LIHJMDKMTKWLQM-GHMZBOCLSA-N 2 0 217.332 0.877 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852791099 588703064 /nfs/dbraw/zinc/70/30/64/588703064.db2.gz XRPAZPQMRBUSBI-NSHDSACASA-N 2 0 223.320 0.117 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)C=C1CC[NH2+]CC1 ZINC000852796488 588703363 /nfs/dbraw/zinc/70/33/63/588703363.db2.gz UUUGAANFGBVJBY-UHFFFAOYSA-N 2 0 239.363 0.801 20 0 BCADRP C[C@@H]1CN(C(=O)C=C2CC[NH2+]CC2)CC[NH2+]1 ZINC000852796519 588703591 /nfs/dbraw/zinc/70/35/91/588703591.db2.gz DNWRWPIOFGCNOJ-SNVBAGLBSA-N 2 0 223.320 0.117 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)NCC[NH2+]C1CC1 ZINC000852796941 588703846 /nfs/dbraw/zinc/70/38/46/588703846.db2.gz UUPQDSZUFQTCQG-UHFFFAOYSA-N 2 0 223.320 0.164 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1[NH2+]CC12CCCC2 ZINC000852825151 588705936 /nfs/dbraw/zinc/70/59/36/588705936.db2.gz LAEJAXIMPUQZDT-MNOVXSKESA-N 2 0 237.347 0.387 20 0 BCADRP CN(C(=O)[C@H]1[NH2+]CC12CCCC2)[C@H]1CC[NH2+]C1 ZINC000852825925 588705969 /nfs/dbraw/zinc/70/59/69/588705969.db2.gz WUCSNDWNQBHEFS-WDEREUQCSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+][C@@H]1CCCN(C(=O)[C@H]2[NH2+]CC23CCCC3)C1 ZINC000852826564 588705983 /nfs/dbraw/zinc/70/59/83/588705983.db2.gz UWOJTMXUJUOQBS-GHMZBOCLSA-N 2 0 237.347 0.468 20 0 BCADRP CC[C@@H]([NH2+]C)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000852826379 588706116 /nfs/dbraw/zinc/70/61/16/588706116.db2.gz GYRZUUZRRNMPME-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@H]2[NH2+]CC23CCCC3)C1 ZINC000852826317 588706154 /nfs/dbraw/zinc/70/61/54/588706154.db2.gz STDLHJMPZAUEPL-WDEREUQCSA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000852832410 588706757 /nfs/dbraw/zinc/70/67/57/588706757.db2.gz MBGJXGKQGIAMNB-MRVPVSSYSA-N 2 0 235.278 0.098 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N(C)Cc1c[nH]cn1 ZINC000852836724 588707257 /nfs/dbraw/zinc/70/72/57/588707257.db2.gz HZZBLXGDLNCZQY-MRVPVSSYSA-N 2 0 222.292 0.509 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)CCCCC[NH3+] ZINC000852868072 588709484 /nfs/dbraw/zinc/70/94/84/588709484.db2.gz MNYACMBKCGAUJR-LLVKDONJSA-N 2 0 229.368 0.995 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000852873697 588709913 /nfs/dbraw/zinc/70/99/13/588709913.db2.gz CZIXMUKQVNYPFH-CYBMUJFWSA-N 2 0 249.358 0.649 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C=C1CC[NH2+]CC1 ZINC000852878408 588710641 /nfs/dbraw/zinc/71/06/41/588710641.db2.gz KFPGYYQFSIKFAM-PWSUYJOCSA-N 2 0 237.347 0.410 20 0 BCADRP O=C(C=C1CC[NH2+]CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000852882110 588710998 /nfs/dbraw/zinc/71/09/98/588710998.db2.gz YFHZGGMFLZVLJX-QWHCGFSZSA-N 2 0 249.358 0.507 20 0 BCADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C=C1CC[NH2+]CC1 ZINC000852891469 588711415 /nfs/dbraw/zinc/71/14/15/588711415.db2.gz RFVMUUQJBVISRZ-LLVKDONJSA-N 2 0 239.363 0.786 20 0 BCADRP [NH3+]CCCCCCNC(=O)C=C1CC[NH2+]CC1 ZINC000852894509 588711965 /nfs/dbraw/zinc/71/19/65/588711965.db2.gz LCDUJCWTQYLTIC-UHFFFAOYSA-N 2 0 239.363 0.932 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000852924876 588713661 /nfs/dbraw/zinc/71/36/61/588713661.db2.gz VYUCMLZSKMIAOL-SNVBAGLBSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH+]1CCC(NC(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861548621 589167664 /nfs/dbraw/zinc/16/76/64/589167664.db2.gz STBQOPZZUYBXEY-SNVBAGLBSA-N 2 0 242.367 0.459 20 0 BCADRP CC[NH+](CC)CCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861547276 589167731 /nfs/dbraw/zinc/16/77/31/589167731.db2.gz RYVKZVCQHIBNAF-SNVBAGLBSA-N 2 0 230.356 0.317 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000861568336 589167737 /nfs/dbraw/zinc/16/77/37/589167737.db2.gz ZZYXLGYGPGYWCM-NXEZZACHSA-N 2 0 230.356 0.315 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000861564036 589168473 /nfs/dbraw/zinc/16/84/73/589168473.db2.gz HBNPJVGYQJOXGJ-ZJUUUORDSA-N 2 0 228.340 0.069 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000861564034 589168556 /nfs/dbraw/zinc/16/85/56/589168556.db2.gz HBNPJVGYQJOXGJ-VHSXEESVSA-N 2 0 228.340 0.069 20 0 BCADRP CC[N@H+](CCNC(=O)N(C)C[C@H](C)[NH3+])C1CC1 ZINC000861569786 589168597 /nfs/dbraw/zinc/16/85/97/589168597.db2.gz DVCQYSYJAKUWNS-JTQLQIEISA-N 2 0 242.367 0.459 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000861582472 589168728 /nfs/dbraw/zinc/16/87/28/589168728.db2.gz XDPYNZIYBGOGFP-UWVGGRQHSA-N 2 0 240.351 0.212 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000861574076 589168739 /nfs/dbraw/zinc/16/87/39/589168739.db2.gz OLWNGCGRCYNHKY-NXEZZACHSA-N 2 0 242.367 0.458 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)NCCC[NH2+]C1CC1 ZINC000861641084 589172004 /nfs/dbraw/zinc/17/20/04/589172004.db2.gz YAWDEINXFYUFQT-VIFPVBQESA-N 2 0 228.340 0.117 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000861638649 589172232 /nfs/dbraw/zinc/17/22/32/589172232.db2.gz DVEKBUDOAKMSJL-ZJUUUORDSA-N 2 0 228.340 0.117 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000861643724 589172625 /nfs/dbraw/zinc/17/26/25/589172625.db2.gz ZDFOMQSKTPZKFX-GUBZILKMSA-N 2 0 228.340 0.116 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000861645238 589172856 /nfs/dbraw/zinc/17/28/56/589172856.db2.gz ZJYRSMJCBPCXMJ-IUCAKERBSA-N 2 0 216.329 0.102 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000861646601 589172964 /nfs/dbraw/zinc/17/29/64/589172964.db2.gz WEQIBMMJCHIGLZ-GHMZBOCLSA-N 2 0 242.367 0.507 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000861647840 589173007 /nfs/dbraw/zinc/17/30/07/589173007.db2.gz NCBOFMIPPTVYBL-DJLDLDEBSA-N 2 0 216.329 0.101 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000861648718 589173086 /nfs/dbraw/zinc/17/30/86/589173086.db2.gz VCAGDOAPXCOSQJ-MXWKQRLJSA-N 2 0 242.367 0.315 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861652987 589173425 /nfs/dbraw/zinc/17/34/25/589173425.db2.gz QGUQMYYKMHUROM-NXEZZACHSA-N 2 0 230.356 0.348 20 0 BCADRP Cc1ncc(C[NH2+]CCOCCC[NH3+])s1 ZINC000863484843 589293084 /nfs/dbraw/zinc/29/30/84/589293084.db2.gz NVIMRCZVPJUBQU-UHFFFAOYSA-N 2 0 229.349 0.907 20 0 BCADRP CCn1ncc(C[NH2+][C@@H](C)CCCC[NH3+])n1 ZINC000863539603 589295522 /nfs/dbraw/zinc/29/55/22/589295522.db2.gz GJGMHSBYNUKLJR-JTQLQIEISA-N 2 0 225.340 0.905 20 0 BCADRP CCn1ncc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000863540869 589296831 /nfs/dbraw/zinc/29/68/31/589296831.db2.gz USVJZUYRLGEIAA-SDDRHHMPSA-N 2 0 249.362 0.776 20 0 BCADRP CON(C)C(=O)[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000863546151 589297902 /nfs/dbraw/zinc/29/79/02/589297902.db2.gz FAZCDOYDCOBNMB-HLTSFMKQSA-N 2 0 217.313 0.110 20 0 BCADRP CON(C)C(=O)[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000863548727 589298695 /nfs/dbraw/zinc/29/86/95/589298695.db2.gz SFWROYKMMLHEHL-KPPDAEKUSA-N 2 0 243.351 0.502 20 0 BCADRP CC[C@@H](C(=O)N1CC[C@]2(CCC[NH2+]2)C1)[NH+](C)C ZINC000863585851 589301980 /nfs/dbraw/zinc/30/19/80/589301980.db2.gz NHMOUKCJTWXTCK-WCQYABFASA-N 2 0 239.363 0.681 20 0 BCADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC000863972444 589330567 /nfs/dbraw/zinc/33/05/67/589330567.db2.gz DWRRVIQHROLUEH-KKOKHZNYSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000863972755 589331018 /nfs/dbraw/zinc/33/10/18/589331018.db2.gz OXWJRTVJAHZLMM-NNYUYHANSA-N 2 0 239.363 0.618 20 0 BCADRP CC(C)[NH+]1CCC(CCNC(N)=[NH2+])CC1 ZINC000864358365 589355565 /nfs/dbraw/zinc/35/55/65/589355565.db2.gz WDSQGUJDJCCAMN-UHFFFAOYSA-N 2 0 212.341 0.980 20 0 BCADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 ZINC000864451273 589364579 /nfs/dbraw/zinc/36/45/79/589364579.db2.gz HAPUIUNFMOHQRI-UTLUCORTSA-N 2 0 210.325 0.460 20 0 BCADRP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000864451789 589364979 /nfs/dbraw/zinc/36/49/79/589364979.db2.gz JSQJALGPQPMFQM-SCVCMEIPSA-N 2 0 236.363 0.993 20 0 BCADRP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000864451780 589365131 /nfs/dbraw/zinc/36/51/31/589365131.db2.gz JSQJALGPQPMFQM-CKYFFXLPSA-N 2 0 236.363 0.993 20 0 BCADRP COCC[N@H+](C)CCCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864453718 589365899 /nfs/dbraw/zinc/36/58/99/589365899.db2.gz BCYOBBSABHOTLI-MNOVXSKESA-N 2 0 242.367 0.477 20 0 BCADRP C[C@H]1C[C@H]1NC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000864458576 589368293 /nfs/dbraw/zinc/36/82/93/589368293.db2.gz OBGPDBDRLNDOBH-DTWKUNHWSA-N 2 0 212.341 0.897 20 0 BCADRP C[C@@H]1C[C@H]1NC(=[NH2+])NCC1([NH+](C)C)CCC1 ZINC000864463551 589370192 /nfs/dbraw/zinc/37/01/92/589370192.db2.gz IBKMVUYLYKDZLK-NXEZZACHSA-N 2 0 224.352 0.993 20 0 BCADRP CC(C)(O)CN1CC[C@H]([NH2+]CC2(C)COC2)C1 ZINC000865660559 589454907 /nfs/dbraw/zinc/45/49/07/589454907.db2.gz VHOLERZHYBZNIO-NSHDSACASA-N 2 0 242.363 0.458 20 0 BCADRP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000865659016 589455006 /nfs/dbraw/zinc/45/50/06/589455006.db2.gz CIUOCSJRJXFXEU-SRVKXCTJSA-N 2 0 242.363 0.599 20 0 BCADRP [NH3+]CCCCCCN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866679532 589511164 /nfs/dbraw/zinc/51/11/64/589511164.db2.gz RAYZHPKDPLEGSW-TXEJJXNPSA-N 2 0 211.353 0.942 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866704014 589513459 /nfs/dbraw/zinc/51/34/59/589513459.db2.gz NUKIBUGMNUFISW-SRVKXCTJSA-N 2 0 244.404 0.642 20 0 BCADRP [NH3+]CCOCC[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866704730 589513780 /nfs/dbraw/zinc/51/37/80/589513780.db2.gz XDOAQMJBUJKQSI-QWRGUYRKSA-N 2 0 230.377 0.647 20 0 BCADRP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000866704804 589514227 /nfs/dbraw/zinc/51/42/27/589514227.db2.gz YDTKBFBPPVYHSB-PWSUYJOCSA-N 2 0 230.352 0.050 20 0 BCADRP CN(C)C(=O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708155 589514448 /nfs/dbraw/zinc/51/44/48/589514448.db2.gz PTCMQEXMIGDPJG-ZDUSSCGKSA-N 2 0 241.379 0.772 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000868005388 589543951 /nfs/dbraw/zinc/54/39/51/589543951.db2.gz NJWVNPVIUDBHDF-VHSXEESVSA-N 2 0 227.352 0.346 20 0 BCADRP C[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)C1CC[NH2+]CC1 ZINC000868013293 589544421 /nfs/dbraw/zinc/54/44/21/589544421.db2.gz RCBGRGCOLHSCCS-JBLDHEPKSA-N 2 0 239.363 0.489 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)C1CC1 ZINC000870936672 589696244 /nfs/dbraw/zinc/69/62/44/589696244.db2.gz APGXBPDWVCPVNQ-GMTAPVOTSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000870913478 589696796 /nfs/dbraw/zinc/69/67/96/589696796.db2.gz BVZPHBDGUBYVFQ-WOPDTQHZSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000870931612 589697740 /nfs/dbraw/zinc/69/77/40/589697740.db2.gz YIHOWFBUZPMECI-AXFHLTTASA-N 2 0 225.336 0.454 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000870932141 589697869 /nfs/dbraw/zinc/69/78/69/589697869.db2.gz ABMLPMQIOKUUOK-OUAUKWLOSA-N 2 0 225.336 0.372 20 0 BCADRP O=C(CCC12CC(C1)C[NH2+]2)N[C@@H]1CCC[NH2+]C1 ZINC000870933473 589698086 /nfs/dbraw/zinc/69/80/86/589698086.db2.gz ZKDLLTHYUFMXNO-QWKFWESOSA-N 2 0 237.347 0.387 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000870933007 589698102 /nfs/dbraw/zinc/69/81/02/589698102.db2.gz NHMXSRRNTUGSAA-TXEJJXNPSA-N 2 0 239.363 0.620 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870933978 589698150 /nfs/dbraw/zinc/69/81/50/589698150.db2.gz BWYOXJVIDJDVPV-BLFANLJRSA-N 2 0 237.347 0.324 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000870934348 589698241 /nfs/dbraw/zinc/69/82/41/589698241.db2.gz KZJGSYIYLYNLOL-SRVKXCTJSA-N 2 0 239.363 0.620 20 0 BCADRP CC[NH2+]CCNC(=O)CC[NH2+]CC1CC1 ZINC000870936107 589698351 /nfs/dbraw/zinc/69/83/51/589698351.db2.gz ZNYQCWLKZKZUTC-UHFFFAOYSA-N 2 0 213.325 0.102 20 0 BCADRP CC(C)[NH2+]CCCNC(=O)CC[NH2+]CC1CC1 ZINC000870934676 589698354 /nfs/dbraw/zinc/69/83/54/589698354.db2.gz DIQWJPNRGAGPIK-UHFFFAOYSA-N 2 0 241.379 0.880 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)CC[NH2+]CC1CC1 ZINC000870936323 589698422 /nfs/dbraw/zinc/69/84/22/589698422.db2.gz GVHWIRRMNWCNQC-LBPRGKRZSA-N 2 0 241.379 0.866 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870934638 589698446 /nfs/dbraw/zinc/69/84/46/589698446.db2.gz QBJNLRNGCDNKNY-LBPRGKRZSA-N 2 0 239.363 0.573 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)CC[NH2+]CC1CC1 ZINC000870935619 589698467 /nfs/dbraw/zinc/69/84/67/589698467.db2.gz ABFUTAAHPWYYPC-LLVKDONJSA-N 2 0 227.352 0.476 20 0 BCADRP O=C(CC[NH2+]CC1CC1)NCC[C@H]1CC[NH2+]C1 ZINC000870934716 589698512 /nfs/dbraw/zinc/69/85/12/589698512.db2.gz FBNVIGNGRJFHDD-GFCCVEGCSA-N 2 0 239.363 0.492 20 0 BCADRP C[C@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC000870936605 589698875 /nfs/dbraw/zinc/69/88/75/589698875.db2.gz NTVIPQUHFKKLSV-BJDJZHNGSA-N 2 0 239.363 0.713 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870937445 589698892 /nfs/dbraw/zinc/69/88/92/589698892.db2.gz JXHOIKITGAIBAL-NRUUGDAUSA-N 2 0 239.363 0.748 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870937171 589698956 /nfs/dbraw/zinc/69/89/56/589698956.db2.gz VQSPQMKLRSRABD-TUAOUCFPSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@H]1CN(C(=O)CC[NH2+]CC2CC2)CC[C@@H]1[NH3+] ZINC000870937230 589698959 /nfs/dbraw/zinc/69/89/59/589698959.db2.gz XCBLRJIXZHTQGG-JQWIXIFHSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+]C[C@H](NC(=O)CC[NH2+]CC1CC1)C1CC1 ZINC000870936661 589698968 /nfs/dbraw/zinc/69/89/68/589698968.db2.gz AJAAFSYNOFYNTP-NSHDSACASA-N 2 0 225.336 0.230 20 0 BCADRP C[C@H](C[NH3+])CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870937918 589698998 /nfs/dbraw/zinc/69/89/98/589698998.db2.gz CNXCUPFYTWXXPR-BBBLOLIVSA-N 2 0 213.325 0.215 20 0 BCADRP [NH3+][C@@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])CC1)C1CC1 ZINC000870939200 589699073 /nfs/dbraw/zinc/69/90/73/589699073.db2.gz MORQIULRTOSPQS-AXFHLTTASA-N 2 0 225.336 0.357 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870939580 589699265 /nfs/dbraw/zinc/69/92/65/589699265.db2.gz YOMCERHCKLNGTL-GUBZILKMSA-N 2 0 213.325 0.357 20 0 BCADRP C[C@@H](CC[NH3+])NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870939310 589699333 /nfs/dbraw/zinc/69/93/33/589699333.db2.gz PWGGJUQUBBBTQF-BMQDGWLCSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870940383 589699362 /nfs/dbraw/zinc/69/93/62/589699362.db2.gz IOCVTGPCKNHWQK-HMUNZLOLSA-N 2 0 237.347 0.228 20 0 BCADRP [NH3+][C@H]1CCC[C@@H](NC(=O)CC[NH2+]CC2CC2)C1 ZINC000870941548 589699464 /nfs/dbraw/zinc/69/94/64/589699464.db2.gz YCQXTOBYQJCRRR-NWDGAFQWSA-N 2 0 239.363 0.762 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870942239 589699504 /nfs/dbraw/zinc/69/95/04/589699504.db2.gz JAXZZIVSVOOTOU-SVDPJWKOSA-N 2 0 225.336 0.228 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870942103 589699563 /nfs/dbraw/zinc/69/95/63/589699563.db2.gz GJKHMOGQVVPTGK-XSRFYTQQSA-N 2 0 239.363 0.633 20 0 BCADRP [NH3+][C@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000870941600 589699691 /nfs/dbraw/zinc/69/96/91/589699691.db2.gz ZJJVLCZIOSRLSN-DDHJBXDOSA-N 2 0 239.363 0.890 20 0 BCADRP [NH3+][C@H]1CC[C@@H](C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000870941604 589699699 /nfs/dbraw/zinc/69/96/99/589699699.db2.gz ZJJVLCZIOSRLSN-USZNOCQGSA-N 2 0 239.363 0.890 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)CC[NH2+]CC2CC2)C1 ZINC000870941550 589699778 /nfs/dbraw/zinc/69/97/78/589699778.db2.gz YCQXTOBYQJCRRR-VXGBXAGGSA-N 2 0 239.363 0.762 20 0 BCADRP [NH3+]CC[C@@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)C(F)F ZINC000870944100 589700017 /nfs/dbraw/zinc/70/00/17/589700017.db2.gz BJVKPIXOZGUERL-HRDYMLBCSA-N 2 0 249.305 0.603 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870944082 589700019 /nfs/dbraw/zinc/70/00/19/589700019.db2.gz BICRTTUSFINCTC-WISYIIOYSA-N 2 0 239.363 0.748 20 0 BCADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)CC[NH2+]CC2CC2)C1 ZINC000870945414 589700264 /nfs/dbraw/zinc/70/02/64/589700264.db2.gz TUNMEEJBHWQEGE-NWDGAFQWSA-N 2 0 239.363 0.620 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000870947039 589700350 /nfs/dbraw/zinc/70/03/50/589700350.db2.gz WRYJYXYHUIUYLH-IVZWLZJFSA-N 2 0 213.325 0.167 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)CC[NH2+]CC1CC1 ZINC000870947414 589700574 /nfs/dbraw/zinc/70/05/74/589700574.db2.gz PHMPPWIWLSXMRC-SNVBAGLBSA-N 2 0 227.352 0.620 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000870946706 589700585 /nfs/dbraw/zinc/70/05/85/589700585.db2.gz LAYBNYJMQGQVGA-ICUOPCATSA-N 2 0 249.358 0.372 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870952317 589701155 /nfs/dbraw/zinc/70/11/55/589701155.db2.gz NLJMRYYVXLLVOA-UHFFFAOYSA-N 2 0 239.363 0.714 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870952488 589701313 /nfs/dbraw/zinc/70/13/13/589701313.db2.gz RFDQYDDDQKGIBX-PTRXPTGYSA-N 2 0 225.336 0.310 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)CC[NH2+]CC1CC1 ZINC000870957035 589701562 /nfs/dbraw/zinc/70/15/62/589701562.db2.gz UVSPNSPEBCJYDW-GFCCVEGCSA-N 2 0 241.379 0.866 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000870957648 589701691 /nfs/dbraw/zinc/70/16/91/589701691.db2.gz SMKIGUCXXUETFO-PORUNHMFSA-N 2 0 241.310 0.012 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)C1 ZINC000870963533 589701888 /nfs/dbraw/zinc/70/18/88/589701888.db2.gz MXRRYFIVKVTEMD-NOHGZBONSA-N 2 0 237.347 0.230 20 0 BCADRP CC1CC[NH+](CC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000870964769 589702174 /nfs/dbraw/zinc/70/21/74/589702174.db2.gz CODWPJQMPVDBOF-TXEJJXNPSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965435 589702261 /nfs/dbraw/zinc/70/22/61/589702261.db2.gz QERHELJTHHYDNP-NOHGZBONSA-N 2 0 239.363 0.748 20 0 BCADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973792 589704039 /nfs/dbraw/zinc/70/40/39/589704039.db2.gz FSZDQIIKBDWYHD-PZWNZHSQSA-N 2 0 239.363 0.617 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870975709 589704081 /nfs/dbraw/zinc/70/40/81/589704081.db2.gz ZAAHRDVPUDUBGS-WISYIIOYSA-N 2 0 239.363 0.761 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH3+])CC[C@@H]21 ZINC000870981559 589704355 /nfs/dbraw/zinc/70/43/55/589704355.db2.gz JKQKFEPAPUHXPJ-MNOVXSKESA-N 2 0 239.363 0.524 20 0 BCADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]1 ZINC000870978031 589704736 /nfs/dbraw/zinc/70/47/36/589704736.db2.gz PBNDMZCONICBLF-WRWGMCAJSA-N 2 0 237.347 0.385 20 0 BCADRP C[C@@H](NC(=O)[C@H]([NH3+])C1CCC1)C1CC[NH2+]CC1 ZINC000870984300 589705070 /nfs/dbraw/zinc/70/50/70/589705070.db2.gz ODXYBUFKVKUNCV-BXKDBHETSA-N 2 0 239.363 0.618 20 0 BCADRP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870982662 589705142 /nfs/dbraw/zinc/70/51/42/589705142.db2.gz OITBNNSUGFSMAR-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H](NC(=O)C[C@@H]([NH3+])C1CC1)C1CC[NH2+]CC1 ZINC000870984254 589705332 /nfs/dbraw/zinc/70/53/32/589705332.db2.gz MMPHUHXCPMRXJS-BXKDBHETSA-N 2 0 239.363 0.618 20 0 BCADRP C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000870987040 589705902 /nfs/dbraw/zinc/70/59/02/589705902.db2.gz FXUBGIJWQHVQGW-WDEREUQCSA-N 2 0 239.363 0.490 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870985450 589705951 /nfs/dbraw/zinc/70/59/51/589705951.db2.gz CZIBHQLFONZMNQ-PSASIEDQSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000870987493 589706934 /nfs/dbraw/zinc/70/69/34/589706934.db2.gz JUCPOBJEQGSHKQ-MWLCHTKSSA-N 2 0 225.336 0.243 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870987785 589707077 /nfs/dbraw/zinc/70/70/77/589707077.db2.gz RJCBQBRIMTWFSK-UWVGGRQHSA-N 2 0 227.352 0.618 20 0 BCADRP CN(C(=O)C[C@@H]([NH3+])C1CC1)C1CC[NH+](C)CC1 ZINC000123525950 589747124 /nfs/dbraw/zinc/74/71/24/589747124.db2.gz AMTLBLZAINBJRR-GFCCVEGCSA-N 2 0 239.363 0.666 20 0 BCADRP COCCN(C)C(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000871604006 589770473 /nfs/dbraw/zinc/77/04/73/589770473.db2.gz PNJYXZGNXRFWMG-NSHDSACASA-N 2 0 242.367 0.429 20 0 BCADRP COCCN(C)C(=[NH2+])NCCN(C)C1CC1 ZINC000871604059 589774271 /nfs/dbraw/zinc/77/42/71/589774271.db2.gz RKCMLWCGCGHTCQ-UHFFFAOYSA-N 2 0 228.340 0.183 20 0 BCADRP [NH3+]CCCN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150929 589884860 /nfs/dbraw/zinc/88/48/60/589884860.db2.gz HNRXEFZMKZGUJU-HTQZYQBOSA-N 2 0 225.258 0.404 20 0 BCADRP [NH3+][C@@H]1CCN(C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872141855 589879966 /nfs/dbraw/zinc/87/99/66/589879966.db2.gz WREOCPMLDDRMAR-MNOVXSKESA-N 2 0 210.321 0.979 20 0 BCADRP FC(F)[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000872146475 589884848 /nfs/dbraw/zinc/88/48/48/589884848.db2.gz OUBIXQALJQIPPW-UWVGGRQHSA-N 2 0 234.290 0.952 20 0 BCADRP [NH3+][C@@H](CC(=O)NCC[NH+]1CCCCC1)C1CC1 ZINC000123981896 589889361 /nfs/dbraw/zinc/88/93/61/589889361.db2.gz DUVLCKLYOVIUFW-LBPRGKRZSA-N 2 0 239.363 0.716 20 0 BCADRP CC(C)(O)CN1CC[C@H]([NH2+]C[C@@H](O)C2CC2)C1 ZINC000872219127 589896018 /nfs/dbraw/zinc/89/60/18/589896018.db2.gz VOEZHEHXYQCMKE-NWDGAFQWSA-N 2 0 242.363 0.192 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872257296 589901608 /nfs/dbraw/zinc/90/16/08/589901608.db2.gz DGVJSPHKAOVSHZ-NRUUGDAUSA-N 2 0 237.347 0.324 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872293503 589907167 /nfs/dbraw/zinc/90/71/67/589907167.db2.gz XBOIMCHNZFAIOS-YTWAJWBKSA-N 2 0 227.352 0.746 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872293502 589907307 /nfs/dbraw/zinc/90/73/07/589907307.db2.gz XBOIMCHNZFAIOS-MMWGEVLESA-N 2 0 227.352 0.746 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C[C@H]1[NH3+] ZINC000872299169 589907525 /nfs/dbraw/zinc/90/75/25/589907525.db2.gz YMSCXXCPHMBCTF-WISYIIOYSA-N 2 0 239.363 0.700 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N1CC[NH2+]CCC1(C)C ZINC000872301808 589907860 /nfs/dbraw/zinc/90/78/60/589907860.db2.gz UOFZHJJCJAEXRP-VIFPVBQESA-N 2 0 213.325 0.195 20 0 BCADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH2+]CCC1(C)C ZINC000872297436 589907926 /nfs/dbraw/zinc/90/79/26/589907926.db2.gz PDJGMEJMTQZXRV-GHMZBOCLSA-N 2 0 239.363 0.585 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[NH2+]CCC1(C)C ZINC000872300514 589907957 /nfs/dbraw/zinc/90/79/57/589907957.db2.gz JHEJXVFTRGRNDU-SNVBAGLBSA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000872301842 589908048 /nfs/dbraw/zinc/90/80/48/589908048.db2.gz VOFUWKNLEIXXOI-ZZZDWPBISA-N 2 0 237.347 0.500 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C[C@H]1C[NH3+] ZINC000872308470 589908625 /nfs/dbraw/zinc/90/86/25/589908625.db2.gz AYZCDCFELNQBAV-YFVNTRNASA-N 2 0 237.347 0.167 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000872313209 589909596 /nfs/dbraw/zinc/90/95/96/589909596.db2.gz GNXWZTUVQIPWHC-GGRQXOBESA-N 2 0 249.358 0.515 20 0 BCADRP CC[NH2+]CC1CC[NH+](Cc2cnc(N)cn2)CC1 ZINC000873200504 589992655 /nfs/dbraw/zinc/99/26/55/589992655.db2.gz BNAUSWPRIFIALO-UHFFFAOYSA-N 2 0 249.362 0.880 20 0 BCADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cnc(N)cn2)CC1 ZINC000873201010 589993207 /nfs/dbraw/zinc/99/32/07/589993207.db2.gz IXUSQEACCUAEQT-SECBINFHSA-N 2 0 235.335 0.618 20 0 BCADRP [NH3+]CC1(CN2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000873214119 589996977 /nfs/dbraw/zinc/99/69/77/589996977.db2.gz YGBYEWMDLGVSIK-GFCCVEGCSA-N 2 0 209.337 0.553 20 0 BCADRP C([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)C12CC(C1)C[NH2+]2 ZINC000873215937 589998231 /nfs/dbraw/zinc/99/82/31/589998231.db2.gz HMRMMKIVNFLJTA-RPBVKXSWSA-N 2 0 234.343 0.751 20 0 BCADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC[NH2+]1 ZINC000873228998 590001232 /nfs/dbraw/zinc/00/12/32/590001232.db2.gz NAIURGVKBYRUCZ-ZOBORPQBSA-N 3 0 237.391 0.916 20 0 BCADRP C(N[C@@]12CCC[C@@H]1[NH2+]CC2)[C@]12C[C@H]1C[NH2+]C2 ZINC000873231679 590002570 /nfs/dbraw/zinc/00/25/70/590002570.db2.gz RBVVUQXYGRRMDP-WUHRBBMRSA-N 2 0 221.348 0.470 20 0 BCADRP C(N[C@@]12CCC[C@@H]1[NH2+]CC2)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000873231678 590002706 /nfs/dbraw/zinc/00/27/06/590002706.db2.gz RBVVUQXYGRRMDP-MROQNXINSA-N 2 0 221.348 0.470 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000873236646 590003771 /nfs/dbraw/zinc/00/37/71/590003771.db2.gz ZAZZQXRAFRJVSD-TUAOUCFPSA-N 2 0 243.395 0.547 20 0 BCADRP C[C@@H]([NH3+])C[C@H](C)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000873236648 590004817 /nfs/dbraw/zinc/00/48/17/590004817.db2.gz ZAZZQXRAFRJVSD-WOPDTQHZSA-N 2 0 243.395 0.547 20 0 BCADRP COC(=O)N1CCC([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000873254958 590006293 /nfs/dbraw/zinc/00/62/93/590006293.db2.gz CHFOTPMTWISFSM-MGCOHNPYSA-N 2 0 241.335 0.544 20 0 BCADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cnn(C)c1 ZINC000873257787 590007100 /nfs/dbraw/zinc/00/71/00/590007100.db2.gz KLNSCLLRNDXAHN-QXEWZRGKSA-N 2 0 208.309 0.808 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000873251210 590008299 /nfs/dbraw/zinc/00/82/99/590008299.db2.gz KGLJNMWLYHXWJE-YVECIDJPSA-N 3 0 223.364 0.940 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000873251207 590008474 /nfs/dbraw/zinc/00/84/74/590008474.db2.gz KGLJNMWLYHXWJE-QNWHQSFQSA-N 3 0 223.364 0.940 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000873251194 590008522 /nfs/dbraw/zinc/00/85/22/590008522.db2.gz VABSXFHYJJPABO-KKOKHZNYSA-N 3 0 211.353 0.701 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000873251512 590008769 /nfs/dbraw/zinc/00/87/69/590008769.db2.gz WFONOBXHRFNDRL-KIJLLGNVSA-N 3 0 223.364 0.701 20 0 BCADRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 ZINC000873251604 590009232 /nfs/dbraw/zinc/00/92/32/590009232.db2.gz XBTBGHSHSSDCID-USZNOCQGSA-N 3 0 211.353 0.844 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000873255024 590010404 /nfs/dbraw/zinc/01/04/04/590010404.db2.gz DDFYVJLFUDYKAL-JHEVNIALSA-N 2 0 239.363 0.080 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000873255564 590010655 /nfs/dbraw/zinc/01/06/55/590010655.db2.gz HQSDVQUQUZCXMU-XYPYZODXSA-N 2 0 240.347 0.999 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cnccc1N ZINC000873255938 590011023 /nfs/dbraw/zinc/01/10/23/590011023.db2.gz KPMLLUSJYPFYHP-OPRDCNLKSA-N 2 0 220.320 0.882 20 0 BCADRP C[C@H](C[C@H]1COCCN1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256265 590011273 /nfs/dbraw/zinc/01/12/73/590011273.db2.gz NJBFRJMLWBJZJZ-KKOKHZNYSA-N 2 0 227.352 0.080 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000873256536 590011431 /nfs/dbraw/zinc/01/14/31/590011431.db2.gz OYBZJBKTPKJQEN-KKOKHZNYSA-N 3 0 211.353 0.973 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000873257670 590012191 /nfs/dbraw/zinc/01/21/91/590012191.db2.gz WFONOBXHRFNDRL-UJPOAAIJSA-N 3 0 223.364 0.701 20 0 BCADRP C[C@@H]([NH2+][C@H]1CNCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000873270384 590015936 /nfs/dbraw/zinc/01/59/36/590015936.db2.gz RVEKBRDWAVUCFY-LOWVWBTDSA-N 2 0 225.380 0.962 20 0 BCADRP Cc1nonc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000873295666 590023732 /nfs/dbraw/zinc/02/37/32/590023732.db2.gz MWPJTFPDYZVDRT-UHFFFAOYSA-N 2 0 224.308 0.985 20 0 BCADRP c1ccc2c(c1)C[NH2+][C@H](CN[C@H]1CC[NH2+]C1)C2 ZINC000873295855 590023823 /nfs/dbraw/zinc/02/38/23/590023823.db2.gz ADYVXQUIOJTDIE-KBPBESRZSA-N 2 0 231.343 0.652 20 0 BCADRP c1ccc2c(c1)C[NH2+][C@@H](CN[C@H]1CC[NH2+]C1)C2 ZINC000873295858 590024333 /nfs/dbraw/zinc/02/43/33/590024333.db2.gz ADYVXQUIOJTDIE-UONOGXRCSA-N 2 0 231.343 0.652 20 0 BCADRP C[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC000874183129 590096637 /nfs/dbraw/zinc/09/66/37/590096637.db2.gz QHJIWGWFZGMQEX-UHFFFAOYSA-N 2 0 225.336 0.293 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC000874470840 590114364 /nfs/dbraw/zinc/11/43/64/590114364.db2.gz YDQOPWSORYRQFJ-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC000874469518 590114454 /nfs/dbraw/zinc/11/44/54/590114454.db2.gz VJYLKJJTDHKWNX-GFCCVEGCSA-N 2 0 241.379 0.929 20 0 BCADRP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H](C)[NH+](C)C ZINC000874468869 590114544 /nfs/dbraw/zinc/11/45/44/590114544.db2.gz SXQGPEXWCOTNMX-MNOVXSKESA-N 2 0 229.368 0.639 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)CCCCCC[NH3+] ZINC000125846774 590193524 /nfs/dbraw/zinc/19/35/24/590193524.db2.gz PTZJTDCNEZEWSR-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NC1CC[NH2+]CC1 ZINC000876502997 590203584 /nfs/dbraw/zinc/20/35/84/590203584.db2.gz VTPHBYKYRXTPBE-BYCRGOAPSA-N 2 0 237.347 0.410 20 0 BCADRP [NH3+][C@@H]1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000876504078 590203963 /nfs/dbraw/zinc/20/39/63/590203963.db2.gz IYUFERXSWJTPKW-FOGDFJRCSA-N 2 0 223.320 0.078 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000876503839 590204239 /nfs/dbraw/zinc/20/42/39/590204239.db2.gz FIKWWAPDPSEGSA-OPRDCNLKSA-N 2 0 225.336 0.180 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000876505292 590204433 /nfs/dbraw/zinc/20/44/33/590204433.db2.gz BBKLGSZWSSWKGK-VNPHXJNISA-N 2 0 237.347 0.220 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000876507711 590204842 /nfs/dbraw/zinc/20/48/42/590204842.db2.gz LMROLNDXDMLILL-OPRDCNLKSA-N 2 0 225.336 0.228 20 0 BCADRP CC[NH2+]CCCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876510659 590205365 /nfs/dbraw/zinc/20/53/65/590205365.db2.gz XIDWXTIVZBEZIL-VHSXEESVSA-N 2 0 227.352 0.476 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCC[NH2+]CC ZINC000876510727 590205565 /nfs/dbraw/zinc/20/55/65/590205565.db2.gz YZMPONBKENGJLP-BCIKPAMSSA-N 2 0 239.363 0.514 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876513742 590205844 /nfs/dbraw/zinc/20/58/44/590205844.db2.gz IAFPXAWHXUHINW-DCAQKATOSA-N 2 0 243.326 0.192 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000876514024 590205931 /nfs/dbraw/zinc/20/59/31/590205931.db2.gz SBEVVDPNAZRIGA-GARJFASQSA-N 2 0 239.363 0.476 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000876514724 590206363 /nfs/dbraw/zinc/20/63/63/590206363.db2.gz YLVMJDLYEXAIEU-NEPJUHHUSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876515182 590206461 /nfs/dbraw/zinc/20/64/61/590206461.db2.gz MIRQFGOYVJDBJC-WZRBSPASSA-N 2 0 237.347 0.339 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH3+])C1(F)F ZINC000876515807 590206703 /nfs/dbraw/zinc/20/67/03/590206703.db2.gz XUNDDUCOLKMTKK-IWSPIJDZSA-N 2 0 247.289 0.166 20 0 BCADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000876514726 590206722 /nfs/dbraw/zinc/20/67/22/590206722.db2.gz YLVMJDLYEXAIEU-NWDGAFQWSA-N 2 0 241.379 0.947 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876519347 590206810 /nfs/dbraw/zinc/20/68/10/590206810.db2.gz WQCNAXNOROIWMI-YIZRAAEISA-N 2 0 213.325 0.213 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000876518255 590206995 /nfs/dbraw/zinc/20/69/95/590206995.db2.gz OIBCKDURFZOHJV-YFXGRDGWSA-N 2 0 237.347 0.205 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876518626 590207134 /nfs/dbraw/zinc/20/71/34/590207134.db2.gz HROZDOJKXCPMCZ-NNOMMRTBSA-N 2 0 225.336 0.396 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000876517971 590207143 /nfs/dbraw/zinc/20/71/43/590207143.db2.gz IGLFCAQJUOMWDC-AXFHLTTASA-N 2 0 243.326 0.144 20 0 BCADRP CC[NH2+]CCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876520874 590207490 /nfs/dbraw/zinc/20/74/90/590207490.db2.gz FAALJKGTEBGZOQ-IUCAKERBSA-N 2 0 213.325 0.086 20 0 BCADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCC[NH2+]1 ZINC000876522680 590207715 /nfs/dbraw/zinc/20/77/15/590207715.db2.gz ZJXCSMOYKYTZMQ-YGABWQLJSA-N 2 0 237.347 0.410 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000876526802 590209373 /nfs/dbraw/zinc/20/93/73/590209373.db2.gz GPQTWGCBDMGHBJ-HBNTYKKESA-N 2 0 239.363 0.428 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)C[C@H](C)[NH2+]1 ZINC000876529733 590209645 /nfs/dbraw/zinc/20/96/45/590209645.db2.gz GIPVTVWGFQPGNE-VLEAKVRGSA-N 2 0 239.363 0.569 20 0 BCADRP C[C@](C[NH3+])(NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)C1CC1 ZINC000876530418 590209956 /nfs/dbraw/zinc/20/99/56/590209956.db2.gz QDSJIYIVHKDJLQ-OUJBWJOFSA-N 2 0 239.363 0.603 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000876528787 590209972 /nfs/dbraw/zinc/20/99/72/590209972.db2.gz ZFJBHELDEFARTD-CKOMJFDNSA-N 2 0 237.347 0.218 20 0 BCADRP [NH3+]CC1(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CCCC1 ZINC000876530640 590210023 /nfs/dbraw/zinc/21/00/23/590210023.db2.gz OWMQNLPSOCTQRC-NXEZZACHSA-N 2 0 243.326 0.322 20 0 BCADRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876533185 590210773 /nfs/dbraw/zinc/21/07/73/590210773.db2.gz PJSHMNSPOJFINI-MXWKQRLJSA-N 2 0 245.342 0.424 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876534758 590210848 /nfs/dbraw/zinc/21/08/48/590210848.db2.gz DGTHQQZKVZWNGK-IEVRTODYSA-N 2 0 239.363 0.642 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876535346 590211322 /nfs/dbraw/zinc/21/13/22/590211322.db2.gz NJGOYYFHLUWQOH-NRUUGDAUSA-N 2 0 241.379 0.849 20 0 BCADRP C[C@H](C(=O)N(C)C1CCC([NH3+])CC1)[NH+](C)C ZINC000876540948 590211987 /nfs/dbraw/zinc/21/19/87/590211987.db2.gz SADUXELYEMULCF-KPPDAEKUSA-N 2 0 227.352 0.665 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876540937 590212187 /nfs/dbraw/zinc/21/21/87/590212187.db2.gz RRPWUQJNXXCGPF-PHIMTYICSA-N 2 0 241.379 0.947 20 0 BCADRP C[NH+](C)CCCNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876707371 590232142 /nfs/dbraw/zinc/23/21/42/590232142.db2.gz DHPMJAWASSNOLI-ZHRWSRJISA-N 2 0 239.363 0.610 20 0 BCADRP C[NH+](C)CCCNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876707370 590232253 /nfs/dbraw/zinc/23/22/53/590232253.db2.gz DHPMJAWASSNOLI-SYTKJHMZSA-N 2 0 239.363 0.610 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876711518 590232823 /nfs/dbraw/zinc/23/28/23/590232823.db2.gz ZLHPWYQFQXJXDV-UWVGGRQHSA-N 2 0 245.342 0.390 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)[NH+](C)C ZINC000876735419 590233967 /nfs/dbraw/zinc/23/39/67/590233967.db2.gz NKCJPKOCNPOCNC-UTLUCORTSA-N 2 0 227.352 0.426 20 0 BCADRP C[C@H](CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)[NH+](C)C ZINC000876735416 590234290 /nfs/dbraw/zinc/23/42/90/590234290.db2.gz NKCJPKOCNPOCNC-KXUCPTDWSA-N 2 0 227.352 0.426 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876749380 590236853 /nfs/dbraw/zinc/23/68/53/590236853.db2.gz NIHIEIVBRVSWCS-GHMZBOCLSA-N 2 0 245.342 0.390 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)NCC[N@H+](CC)C(C)C ZINC000876749785 590237068 /nfs/dbraw/zinc/23/70/68/590237068.db2.gz QOHAGVCHFYOVKP-NSHDSACASA-N 2 0 229.368 0.831 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)C1 ZINC000876784292 590240166 /nfs/dbraw/zinc/24/01/66/590240166.db2.gz DGHQAQBECSIQHT-YHROSDCASA-N 2 0 223.320 0.102 20 0 BCADRP [NH3+][C@H]1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)C1 ZINC000876784290 590240442 /nfs/dbraw/zinc/24/04/42/590240442.db2.gz DGHQAQBECSIQHT-SEUFLZDSSA-N 2 0 223.320 0.102 20 0 BCADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000876788983 590240752 /nfs/dbraw/zinc/24/07/52/590240752.db2.gz PMCRLHIANDCWCB-AIIUZBJTSA-N 2 0 237.347 0.410 20 0 BCADRP CC1(C)[C@H](C(=O)N[C@H]2CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC000876788798 590240767 /nfs/dbraw/zinc/24/07/67/590240767.db2.gz LMROLNDXDMLILL-GUBZILKMSA-N 2 0 225.336 0.228 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000876791998 590242029 /nfs/dbraw/zinc/24/20/29/590242029.db2.gz QWEQKJSVSLNJCV-OCJJRPKISA-N 2 0 237.347 0.252 20 0 BCADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000876798626 590242608 /nfs/dbraw/zinc/24/26/08/590242608.db2.gz KBNZIWKWRAMPQD-JTNORFRNSA-N 2 0 237.347 0.396 20 0 BCADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876796791 590242666 /nfs/dbraw/zinc/24/26/66/590242666.db2.gz NQKSWFVCTBVTAX-VGMNWLOBSA-N 2 0 213.325 0.213 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876813875 590245234 /nfs/dbraw/zinc/24/52/34/590245234.db2.gz YAQJBWLVGTWKQS-ZNSHCXBVSA-N 2 0 239.363 0.474 20 0 BCADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000876813147 590245518 /nfs/dbraw/zinc/24/55/18/590245518.db2.gz RWUDWVGUNCTQHR-NHCYSSNCSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1(F)F ZINC000876828544 590246878 /nfs/dbraw/zinc/24/68/78/590246878.db2.gz APSFKOQZFALNSZ-RBXMUDONSA-N 2 0 247.289 0.213 20 0 BCADRP C[C@H]1CN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000876829201 590246938 /nfs/dbraw/zinc/24/69/38/590246938.db2.gz PXWVKDNFVNYBGN-RUULKOMLSA-N 2 0 237.347 0.363 20 0 BCADRP C[C@H]1[NH2+]CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1C ZINC000876831000 590247419 /nfs/dbraw/zinc/24/74/19/590247419.db2.gz BYEQODHXNKXILT-DDHJBXDOSA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876833075 590247609 /nfs/dbraw/zinc/24/76/09/590247609.db2.gz SWJORGDRBIBYDO-JBDRJPRFSA-N 2 0 247.289 0.083 20 0 BCADRP CC[NH2+][C@H](C)CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876836040 590247888 /nfs/dbraw/zinc/24/78/88/590247888.db2.gz KQYZGFCYKWFJFQ-BBBLOLIVSA-N 2 0 231.315 0.048 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876838640 590248494 /nfs/dbraw/zinc/24/84/94/590248494.db2.gz SQOGEDUMFWZDGO-YTWAJWBKSA-N 2 0 237.347 0.038 20 0 BCADRP C[C@H](CCC[NH3+])NC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876858018 590249811 /nfs/dbraw/zinc/24/98/11/590249811.db2.gz NFJFNWJRKQAFBK-UXFRKABBSA-N 2 0 239.363 0.786 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)CCC[NH3+] ZINC000876857329 590249921 /nfs/dbraw/zinc/24/99/21/590249921.db2.gz BCNUELCNOVSMDJ-YJFPATCESA-N 2 0 239.363 0.642 20 0 BCADRP CC(C)(CCC[NH3+])NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876860028 590250587 /nfs/dbraw/zinc/25/05/87/590250587.db2.gz QSRZASNRCRRAPA-ZJUUUORDSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@H]([NH3+])[C@H](C)NC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876861392 590250839 /nfs/dbraw/zinc/25/08/39/590250839.db2.gz XUTCWYTUUQBGBH-SEHVWJKQSA-N 2 0 225.336 0.394 20 0 BCADRP [NH3+]C[C@@H]1[C@H](C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1(F)F ZINC000876869357 590251587 /nfs/dbraw/zinc/25/15/87/590251587.db2.gz DUZRGFMGFCKVFA-FNCVBFRFSA-N 2 0 247.289 0.070 20 0 BCADRP CN(C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C1(C[NH3+])CCC1 ZINC000876866300 590251680 /nfs/dbraw/zinc/25/16/80/590251680.db2.gz CAZWMBSVLYJFMV-YUMQZZPRSA-N 2 0 247.289 0.166 20 0 BCADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000876872016 590251851 /nfs/dbraw/zinc/25/18/51/590251851.db2.gz XRIUSIQZPUCHTJ-MNOVXSKESA-N 2 0 237.347 0.149 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCc1c[nH]cn1 ZINC000876882862 590253152 /nfs/dbraw/zinc/25/31/52/590253152.db2.gz UHSGUFHSVUFEKH-RKDXNWHRSA-N 2 0 222.292 0.399 20 0 BCADRP CN(C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[C@H](C[NH3+])C1CC1 ZINC000876914251 590256350 /nfs/dbraw/zinc/25/63/50/590256350.db2.gz OQUFEYSAVOFHDN-YIZRAAEISA-N 2 0 247.289 0.022 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000876913665 590256493 /nfs/dbraw/zinc/25/64/93/590256493.db2.gz SPCXSLFSGHNPAO-IJLUTSLNSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876916419 590256894 /nfs/dbraw/zinc/25/68/94/590256894.db2.gz SGGKIAUETJFJOB-XKNYDFJKSA-N 2 0 225.336 0.308 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876916171 590256940 /nfs/dbraw/zinc/25/69/40/590256940.db2.gz MUJNXHBIIUBLNO-LPEHRKFASA-N 2 0 245.342 0.424 20 0 BCADRP CC(C)(CC[NH3+])NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876926821 590257568 /nfs/dbraw/zinc/25/75/68/590257568.db2.gz HDRBACPYQDVUNR-IUCAKERBSA-N 2 0 227.352 0.603 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876934990 590258640 /nfs/dbraw/zinc/25/86/40/590258640.db2.gz PLNFXHPICAAMCE-AATLWQCWSA-N 2 0 231.315 0.176 20 0 BCADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000876935317 590258978 /nfs/dbraw/zinc/25/89/78/590258978.db2.gz RMLOAEHXDMGGBV-QKIYJJFGSA-N 2 0 239.363 0.761 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876937741 590258996 /nfs/dbraw/zinc/25/89/96/590258996.db2.gz AZAQUANBMAKRIV-IUCAKERBSA-N 2 0 249.305 0.462 20 0 BCADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876957984 590261118 /nfs/dbraw/zinc/26/11/18/590261118.db2.gz NNCNUUAGYSOOMA-DTWKUNHWSA-N 2 0 227.352 0.556 20 0 BCADRP C[C@H](CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000876960305 590261648 /nfs/dbraw/zinc/26/16/48/590261648.db2.gz CGXASJUFGFOYHY-GMTAPVOTSA-N 2 0 245.342 0.390 20 0 BCADRP [NH3+]C1(CNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CCCC1 ZINC000876964929 590261964 /nfs/dbraw/zinc/26/19/64/590261964.db2.gz VRJPKOFHXBYTJU-ZJUUUORDSA-N 2 0 243.326 0.322 20 0 BCADRP [NH3+]CC12CC(C1)CN2C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876968523 590262337 /nfs/dbraw/zinc/26/23/37/590262337.db2.gz PYAJRXKLOQJQPH-GPAGNBSZSA-N 2 0 249.358 0.492 20 0 BCADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876979031 590264275 /nfs/dbraw/zinc/26/42/75/590264275.db2.gz YSVXKGGLODXNQB-OPRDCNLKSA-N 2 0 213.325 0.228 20 0 BCADRP C[C@@]1(NC(=O)CCC23CC(C2)C[NH2+]3)CC[NH2+]C1 ZINC000876979937 590264369 /nfs/dbraw/zinc/26/43/69/590264369.db2.gz CCDGXESPULUARG-YXMLORGKSA-N 2 0 237.347 0.387 20 0 BCADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)CCCCC[NH3+] ZINC000876997636 590267136 /nfs/dbraw/zinc/26/71/36/590267136.db2.gz CIWOLZKCXIJDJY-LBPRGKRZSA-N 2 0 241.379 0.962 20 0 BCADRP CCN(CC[NH3+])C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000877005832 590268284 /nfs/dbraw/zinc/26/82/84/590268284.db2.gz MPTZJDOIBKQGTP-BDAKNGLRSA-N 2 0 213.325 0.167 20 0 BCADRP CCN(CC[NH3+])C(=O)CCC12CC(C1)C[NH2+]2 ZINC000877005645 590268477 /nfs/dbraw/zinc/26/84/77/590268477.db2.gz KJCIJKLAKONAFG-UHFFFAOYSA-N 2 0 225.336 0.326 20 0 BCADRP CCN(CC[NH3+])C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000877005765 590268515 /nfs/dbraw/zinc/26/85/15/590268515.db2.gz MFQVJEIAVPBGDX-GZTOBOFZSA-N 2 0 225.336 0.349 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000877022481 590270338 /nfs/dbraw/zinc/27/03/38/590270338.db2.gz WHAZFBUSXOWKGS-GARJFASQSA-N 2 0 225.336 0.371 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000877022482 590270393 /nfs/dbraw/zinc/27/03/93/590270393.db2.gz WHAZFBUSXOWKGS-OUAUKWLOSA-N 2 0 225.336 0.371 20 0 BCADRP [NH3+]CCCCCCC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000877041934 590273119 /nfs/dbraw/zinc/27/31/19/590273119.db2.gz KWEICWJOMXHJAX-LLVKDONJSA-N 2 0 243.351 0.000 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C[NH2+]1 ZINC000877045707 590274063 /nfs/dbraw/zinc/27/40/63/590274063.db2.gz FKJZUDQFTSUKOJ-NNYUYHANSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)CC[NH2+]CC2CC2)C[NH2+]1 ZINC000877052107 590274805 /nfs/dbraw/zinc/27/48/05/590274805.db2.gz PLDOGTKDZWEUPV-CMPLNLGQSA-N 2 0 239.363 0.633 20 0 BCADRP C[C@H]1CC[C@@H](NC(=O)CCCCC[NH3+])C[NH2+]1 ZINC000877050965 590274928 /nfs/dbraw/zinc/27/49/28/590274928.db2.gz JZEYKEPAZXMDMR-WDEREUQCSA-N 2 0 227.352 0.762 20 0 BCADRP C[C@@H]1CC[C@@H](NC(=O)C[C@H]([NH3+])C2CC2)C[NH2+]1 ZINC000877052928 590275275 /nfs/dbraw/zinc/27/52/75/590275275.db2.gz YQAUVBNCHLCPKD-IEBDPFPHSA-N 2 0 225.336 0.371 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000877081473 590280063 /nfs/dbraw/zinc/28/00/63/590280063.db2.gz CGNIGQKYXLSANW-DCAQKATOSA-N 2 0 243.326 0.144 20 0 BCADRP CCC[NH2+][C@H](C)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103671 590280357 /nfs/dbraw/zinc/28/03/57/590280357.db2.gz XRENUSVYKDAQBE-RKDXNWHRSA-N 2 0 201.314 0.180 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000877095803 590281903 /nfs/dbraw/zinc/28/19/03/590281903.db2.gz RWUSFIGZQMMEKH-CMPLNLGQSA-N 2 0 235.331 0.535 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877095612 590282205 /nfs/dbraw/zinc/28/22/05/590282205.db2.gz MZNWVVVTUBATTQ-ZWNOBZJWSA-N 2 0 247.342 0.507 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000877095096 590282208 /nfs/dbraw/zinc/28/22/08/590282208.db2.gz ITPVXTXGDTWUGP-GHMZBOCLSA-N 2 0 241.379 0.818 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000877095226 590282211 /nfs/dbraw/zinc/28/22/11/590282211.db2.gz JBAVNWVNDCUHKK-SNVBAGLBSA-N 2 0 247.342 0.288 20 0 BCADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103644 590284159 /nfs/dbraw/zinc/28/41/59/590284159.db2.gz XCSFCZPOAAGHLI-HLTSFMKQSA-N 2 0 201.314 0.165 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000877104089 590284199 /nfs/dbraw/zinc/28/41/99/590284199.db2.gz BGXMIHUZVKKRCM-NHCYSSNCSA-N 2 0 225.336 0.182 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000877104076 590284305 /nfs/dbraw/zinc/28/43/05/590284305.db2.gz BBRINGOJLPKNPW-ZJUUUORDSA-N 2 0 227.352 0.570 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000877103701 590284373 /nfs/dbraw/zinc/28/43/73/590284373.db2.gz YCVSWSZIOASBCA-KOLCDFICSA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)c1cccc2c1C[NH2+]C2 ZINC000877104450 590284665 /nfs/dbraw/zinc/28/46/65/590284665.db2.gz CASTXDHQNWPNFV-VIFPVBQESA-N 2 0 233.315 0.709 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000877105608 590284980 /nfs/dbraw/zinc/28/49/80/590284980.db2.gz QFUIAANFUQNSTC-GDPRMGEGSA-N 2 0 225.336 0.323 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000877105886 590285003 /nfs/dbraw/zinc/28/50/03/590285003.db2.gz STXJUFPOQYZCHZ-LPEHRKFASA-N 2 0 213.325 0.180 20 0 BCADRP CC(C)C[C@H](C[NH3+])CC(=O)N(C)C[C@H](C)[NH3+] ZINC000877105767 590285012 /nfs/dbraw/zinc/28/50/12/590285012.db2.gz MKKLFKBAMJYVGM-QWRGUYRKSA-N 2 0 229.368 0.803 20 0 BCADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000877108013 590286254 /nfs/dbraw/zinc/28/62/54/590286254.db2.gz NYJCNWKRTQBOSP-DJLDLDEBSA-N 2 0 213.325 0.165 20 0 BCADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000877109296 590287093 /nfs/dbraw/zinc/28/70/93/590287093.db2.gz FPUDTSXZPRVSGN-ABZICBLWSA-N 2 0 237.347 0.409 20 0 BCADRP C[NH2+]CC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877133903 590291133 /nfs/dbraw/zinc/29/11/33/590291133.db2.gz KJYJZRNGKXQFEW-WDEREUQCSA-N 2 0 219.288 0.659 20 0 BCADRP C[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)[NH+](C)C ZINC000877150837 590292724 /nfs/dbraw/zinc/29/27/24/590292724.db2.gz CZCOFTCFKJIFHH-MNOVXSKESA-N 2 0 241.379 0.831 20 0 BCADRP CC1(C)CC[C@@H](CNC(=O)[C@H]2CC[NH2+]2)[NH2+]C1 ZINC000877151140 590292767 /nfs/dbraw/zinc/29/27/67/590292767.db2.gz CYXPRRSUPBLQHL-VHSXEESVSA-N 2 0 225.336 0.243 20 0 BCADRP CC1(C)CC[C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)[NH2+]C1 ZINC000877155564 590293577 /nfs/dbraw/zinc/29/35/77/590293577.db2.gz VVVYRMLZCPSWAM-OUAUKWLOSA-N 2 0 239.363 0.618 20 0 BCADRP CC[NH2+]CC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000877158800 590293981 /nfs/dbraw/zinc/29/39/81/590293981.db2.gz YCPODIZYCXCFSA-ZDUSSCGKSA-N 2 0 249.358 0.672 20 0 BCADRP CC[NH2+]CC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000877158799 590294183 /nfs/dbraw/zinc/29/41/83/590294183.db2.gz YCPODIZYCXCFSA-CYBMUJFWSA-N 2 0 249.358 0.672 20 0 BCADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168324 590295368 /nfs/dbraw/zinc/29/53/68/590295368.db2.gz JRTBMSHBKZVUKS-QCQCZYOXSA-N 2 0 235.331 0.115 20 0 BCADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168323 590295441 /nfs/dbraw/zinc/29/54/41/590295441.db2.gz JRTBMSHBKZVUKS-PDBFFVIBSA-N 2 0 235.331 0.115 20 0 BCADRP O=C(C1CC[NH+](C2CC2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877167707 590295447 /nfs/dbraw/zinc/29/54/47/590295447.db2.gz HCVGNNBVPJYSRP-AAEUAGOBSA-N 2 0 249.358 0.434 20 0 BCADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168322 590295495 /nfs/dbraw/zinc/29/54/95/590295495.db2.gz JRTBMSHBKZVUKS-LRABVFIDSA-N 2 0 235.331 0.115 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CC[NH2+]CC1CC1 ZINC000877171430 590296210 /nfs/dbraw/zinc/29/62/10/590296210.db2.gz GZPKKPHOULJARH-MWLCHTKSSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CCC12CC(C1)C[NH2+]2 ZINC000877171620 590296234 /nfs/dbraw/zinc/29/62/34/590296234.db2.gz IWFNVOSBODGFMZ-JJOYANBFSA-N 2 0 237.347 0.467 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000877171365 590296285 /nfs/dbraw/zinc/29/62/85/590296285.db2.gz FJRNKXMPNCKRJX-XWLWVQCSSA-N 2 0 225.336 0.452 20 0 BCADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000877171363 590296442 /nfs/dbraw/zinc/29/64/42/590296442.db2.gz FJRNKXMPNCKRJX-NAKRPEOUSA-N 2 0 225.336 0.452 20 0 BCADRP O=C(N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877171413 590296454 /nfs/dbraw/zinc/29/64/54/590296454.db2.gz GQCFFYZCXDKDTO-CZXHOFHRSA-N 2 0 249.358 0.481 20 0 BCADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877173092 590296724 /nfs/dbraw/zinc/29/67/24/590296724.db2.gz YEYYMCTYWKKJPD-VDTBFMSJSA-N 2 0 249.358 0.361 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000877176871 590297145 /nfs/dbraw/zinc/29/71/45/590297145.db2.gz PWDNCAPWMOMJCI-QNSHHTMESA-N 2 0 211.309 0.062 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187903 590298297 /nfs/dbraw/zinc/29/82/97/590298297.db2.gz LSNLSEWUWIRJKK-RKVXJDFWSA-N 2 0 225.336 0.452 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187753 590298543 /nfs/dbraw/zinc/29/85/43/590298543.db2.gz GKJJCGMYGAGKSX-SQLBVSGCSA-N 2 0 225.336 0.452 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)CC1([NH3+])CC1 ZINC000877184180 590298576 /nfs/dbraw/zinc/29/85/76/590298576.db2.gz LJKKZBWVTDEZIO-UHFFFAOYSA-N 2 0 223.320 0.350 20 0 BCADRP C[C@@H](C(=O)N1C2CCC1(C[NH3+])CC2)[NH+](C)C ZINC000877186695 590298669 /nfs/dbraw/zinc/29/86/69/590298669.db2.gz WDBFGRQDYLHNLZ-BMQDGWLCSA-N 2 0 225.336 0.419 20 0 BCADRP CC[C@@H]([NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187847 590298684 /nfs/dbraw/zinc/29/86/84/590298684.db2.gz JWFVMYLLZPZAQQ-INWMGODYSA-N 2 0 211.309 0.206 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877192331 590298888 /nfs/dbraw/zinc/29/88/88/590298888.db2.gz LZFSJXFOZPVULJ-BMQDGWLCSA-N 2 0 225.336 0.324 20 0 BCADRP CC(C)[C@H]([NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877191986 590298986 /nfs/dbraw/zinc/29/89/86/590298986.db2.gz GKJJCGMYGAGKSX-YZRBJQDESA-N 2 0 225.336 0.452 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)C[C@H]1CCC[NH2+]1 ZINC000877191740 590299206 /nfs/dbraw/zinc/29/92/06/590299206.db2.gz DLEUIBRZKOQBTC-XSRFYTQQSA-N 2 0 237.347 0.611 20 0 BCADRP [NH3+]CC12CCC(CC1)N2C(=O)C1([NH3+])CCCC1 ZINC000877192933 590299325 /nfs/dbraw/zinc/29/93/25/590299325.db2.gz UWGDRFYBIYHBPF-UHFFFAOYSA-N 2 0 237.347 0.740 20 0 BCADRP CC[NH2+]CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877193250 590299681 /nfs/dbraw/zinc/29/96/81/590299681.db2.gz YMOZBRYNXNECRN-UHFFFAOYSA-N 2 0 211.309 0.078 20 0 BCADRP [NH3+][C@H]1C[C@@H](CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)C1 ZINC000877240719 590302133 /nfs/dbraw/zinc/30/21/33/590302133.db2.gz AMNBVZDVBGCALK-DJECZDDWSA-N 2 0 237.347 0.396 20 0 BCADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242061 590302167 /nfs/dbraw/zinc/30/21/67/590302167.db2.gz BCRVTOFYMRDMKI-AXFHLTTASA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[NH+](C)C ZINC000877243586 590302519 /nfs/dbraw/zinc/30/25/19/590302519.db2.gz QJPRSYRKMVKVPT-OUAUKWLOSA-N 2 0 227.352 0.426 20 0 BCADRP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877245635 590303006 /nfs/dbraw/zinc/30/30/06/590303006.db2.gz JUTYRXDKZXZFFB-IWSPIJDZSA-N 2 0 213.325 0.213 20 0 BCADRP CC1(C)CC[NH2+][C@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877243862 590303077 /nfs/dbraw/zinc/30/30/77/590303077.db2.gz QRXVFYWMKXRGGA-GUBZILKMSA-N 2 0 225.336 0.228 20 0 BCADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000877244616 590303306 /nfs/dbraw/zinc/30/33/06/590303306.db2.gz HFICKRKOBKWOAC-FIQHERPVSA-N 2 0 239.363 0.570 20 0 BCADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC[C@@H]21 ZINC000877250156 590303473 /nfs/dbraw/zinc/30/34/73/590303473.db2.gz OEDDGRKZUGLKIN-KVSVUVNWSA-N 2 0 249.358 0.289 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877251053 590303623 /nfs/dbraw/zinc/30/36/23/590303623.db2.gz WYHGDNXUTMPESO-GRYCIOLGSA-N 2 0 239.363 0.537 20 0 BCADRP CC[NH2+][C@H](C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246100 590303679 /nfs/dbraw/zinc/30/36/79/590303679.db2.gz OOPNAIVEPDLYHN-WISYIIOYSA-N 2 0 239.363 0.631 20 0 BCADRP [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000877246518 590303762 /nfs/dbraw/zinc/30/37/62/590303762.db2.gz WZKOQEWEEICXLN-FOUMNBMASA-N 2 0 249.358 0.681 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000877264986 590304846 /nfs/dbraw/zinc/30/48/46/590304846.db2.gz DPLFGEWGHCXRTN-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP COCCC1(NC(=O)CCC[NH3+])CC[NH2+]CC1 ZINC000877266657 590304855 /nfs/dbraw/zinc/30/48/55/590304855.db2.gz IBJDVLOHDZCYEK-UHFFFAOYSA-N 2 0 243.351 0.000 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000877264987 590305244 /nfs/dbraw/zinc/30/52/44/590305244.db2.gz DPLFGEWGHCXRTN-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP O=C(CC[NH2+]C1CC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877275252 590305783 /nfs/dbraw/zinc/30/57/83/590305783.db2.gz QVUDEASJTOKKFV-RYUDHWBXSA-N 2 0 237.347 0.481 20 0 BCADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877280301 590306345 /nfs/dbraw/zinc/30/63/45/590306345.db2.gz CFPMOPVNRNMFTD-NNYUYHANSA-N 2 0 237.347 0.337 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877283787 590306740 /nfs/dbraw/zinc/30/67/40/590306740.db2.gz RHECRJYKVNXVLY-UTUOFQBUSA-N 2 0 237.347 0.339 20 0 BCADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877282725 590306882 /nfs/dbraw/zinc/30/68/82/590306882.db2.gz MUDSKUFPTQAULA-WCQGTBRESA-N 2 0 237.347 0.480 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)o1 ZINC000877286681 590307209 /nfs/dbraw/zinc/30/72/09/590307209.db2.gz GHYCBSLFLVLAFT-QWRGUYRKSA-N 2 0 249.314 0.705 20 0 BCADRP [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)o1 ZINC000877286682 590307295 /nfs/dbraw/zinc/30/72/95/590307295.db2.gz GHYCBSLFLVLAFT-WDEREUQCSA-N 2 0 249.314 0.705 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000877293353 590307577 /nfs/dbraw/zinc/30/75/77/590307577.db2.gz MLBNZFOABGEQJJ-XWLWVQCSSA-N 2 0 239.363 0.746 20 0 BCADRP C[C@H](C[NH3+])C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877342831 590317882 /nfs/dbraw/zinc/31/78/82/590317882.db2.gz FWWKABKVOPGZFB-ZWNOBZJWSA-N 2 0 247.342 0.412 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877346391 590318958 /nfs/dbraw/zinc/31/89/58/590318958.db2.gz CLRZNRKCUGZXEV-CYBMUJFWSA-N 2 0 247.342 0.427 20 0 BCADRP CC(C)[NH2+]CCC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877379247 590319773 /nfs/dbraw/zinc/31/97/73/590319773.db2.gz HDZVCJDPQNRTRX-WCQYABFASA-N 2 0 239.363 0.442 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1C[C@]13CC[NH2+]C3)C2 ZINC000877374220 590319834 /nfs/dbraw/zinc/31/98/34/590319834.db2.gz BWZSTNBAOQUDQL-VTPLQMEGSA-N 2 0 249.358 0.054 20 0 BCADRP C[C@H](C(=O)N[C@]12CCC[C@H]1[NH2+]CC2)[NH+](C)C ZINC000877384645 590320634 /nfs/dbraw/zinc/32/06/34/590320634.db2.gz KZSGPXPUOVZPIU-FOGDFJRCSA-N 2 0 225.336 0.337 20 0 BCADRP O=C(C[NH2+]C1CC1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877390435 590321424 /nfs/dbraw/zinc/32/14/24/590321424.db2.gz KNFAFFUKIQRXPN-ZYHUDNBSSA-N 2 0 223.320 0.139 20 0 BCADRP O=C(C[NH2+]C1CC1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877390433 590321506 /nfs/dbraw/zinc/32/15/06/590321506.db2.gz KNFAFFUKIQRXPN-JQWIXIFHSA-N 2 0 223.320 0.139 20 0 BCADRP O=C(C[NH2+]C1CC1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877390432 590321532 /nfs/dbraw/zinc/32/15/32/590321532.db2.gz KNFAFFUKIQRXPN-CMPLNLGQSA-N 2 0 223.320 0.139 20 0 BCADRP [NH3+]C1(CC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000877387421 590321639 /nfs/dbraw/zinc/32/16/39/590321639.db2.gz YQNLUYGCFNTNOO-BXKDBHETSA-N 2 0 223.320 0.269 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877387405 590321678 /nfs/dbraw/zinc/32/16/78/590321678.db2.gz YMUWRDZKKGQNBV-CKYFFXLPSA-N 2 0 225.336 0.385 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877398856 590322773 /nfs/dbraw/zinc/32/27/73/590322773.db2.gz IAVAIXADOWFERF-GVXVVHGQSA-N 2 0 237.347 0.529 20 0 BCADRP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)CCCCCC[NH3+] ZINC000877437974 590327883 /nfs/dbraw/zinc/32/78/83/590327883.db2.gz FKDPVALKLNAZTM-WDEREUQCSA-N 2 0 229.368 0.947 20 0 BCADRP CN(CCCCCC[NH3+])C(=O)[C@@H]1CCC[NH2+]C1 ZINC000877437936 590327889 /nfs/dbraw/zinc/32/78/89/590327889.db2.gz CNSHTDUAJBXWEM-GFCCVEGCSA-N 2 0 241.379 0.964 20 0 BCADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)CCCCCC[NH3+] ZINC000877437973 590328330 /nfs/dbraw/zinc/32/83/30/590328330.db2.gz FKDPVALKLNAZTM-QWRGUYRKSA-N 2 0 229.368 0.947 20 0 BCADRP C[NH2+]CCCC(=O)N(C)CCCCCC[NH3+] ZINC000877443937 590328686 /nfs/dbraw/zinc/32/86/86/590328686.db2.gz IAPSGDIIFDVTMO-UHFFFAOYSA-N 2 0 229.368 0.964 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000877450965 590329069 /nfs/dbraw/zinc/32/90/69/590329069.db2.gz IVCFKYXEWYGITQ-UJPOAAIJSA-N 2 0 249.358 0.432 20 0 BCADRP C[NH2+]C[C@@H](C)C(=O)N(C)CCCCCC[NH3+] ZINC000877441882 590329323 /nfs/dbraw/zinc/32/93/23/590329323.db2.gz QQHSOCDMSLQBCO-LLVKDONJSA-N 2 0 229.368 0.819 20 0 BCADRP COC1CC([NH2+][C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000877665115 590388885 /nfs/dbraw/zinc/38/88/85/590388885.db2.gz HSBWAKAOAIYIAN-UNXYVOJBSA-N 2 0 242.363 0.599 20 0 BCADRP CCCC[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000877901045 590442049 /nfs/dbraw/zinc/44/20/49/590442049.db2.gz QYHITAAOOQTOGR-UHFFFAOYSA-N 2 0 241.379 0.929 20 0 BCADRP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)CC1CC1 ZINC000877972196 590462209 /nfs/dbraw/zinc/46/22/09/590462209.db2.gz DRBANMPGGPCIOQ-UHFFFAOYSA-N 2 0 239.363 0.539 20 0 BCADRP COCC[N@H+](CCCO)CC1CC[NH+](C)CC1 ZINC000879124372 590699680 /nfs/dbraw/zinc/69/96/80/590699680.db2.gz VPWNCZOVNXHUAQ-UHFFFAOYSA-N 2 0 244.379 0.659 20 0 BCADRP C[C@@H](C(=O)NCC[N@@H+]1CCC[C@@H]1C)[NH+](C)C ZINC000879537187 590796137 /nfs/dbraw/zinc/79/61/37/590796137.db2.gz UXMMVGYWCPQRQU-QWRGUYRKSA-N 2 0 227.352 0.537 20 0 BCADRP C[C@@H](C(=O)NCC[N@@H+]1CCC[C@H]1C)[NH+](C)C ZINC000879537186 590796962 /nfs/dbraw/zinc/79/69/62/590796962.db2.gz UXMMVGYWCPQRQU-MNOVXSKESA-N 2 0 227.352 0.537 20 0 BCADRP CNC(=O)CCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879578612 590817444 /nfs/dbraw/zinc/81/74/44/590817444.db2.gz FYWJXZWLSLLNNK-NEPJUHHUSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H]1CC[C@H](CO)[N@@H+]1C[C@H](O)CN(C)C1CC1 ZINC000880443326 591043902 /nfs/dbraw/zinc/04/39/02/591043902.db2.gz GTBVHZBMFOGRNT-RAIGVLPGSA-N 2 0 242.363 0.287 20 0 BCADRP CCN(C)C[C@H](O)C[N@@H+]1[C@@H](C)CC[C@H]1CO ZINC000880444227 591045668 /nfs/dbraw/zinc/04/56/68/591045668.db2.gz RIWHMNBSIUDQIB-SRVKXCTJSA-N 2 0 230.352 0.144 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000882485084 591360449 /nfs/dbraw/zinc/36/04/49/591360449.db2.gz PQBKJSQFPXKNMO-GFCCVEGCSA-N 2 0 239.363 0.539 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000882486349 591361849 /nfs/dbraw/zinc/36/18/49/591361849.db2.gz QMJCZTULLRQKGA-MNOVXSKESA-N 2 0 225.336 0.149 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000882485085 591361944 /nfs/dbraw/zinc/36/19/44/591361944.db2.gz PQBKJSQFPXKNMO-LBPRGKRZSA-N 2 0 239.363 0.539 20 0 BCADRP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC)[NH+](C)C ZINC000882489211 591365866 /nfs/dbraw/zinc/36/58/66/591365866.db2.gz OMUNATTZFBPTIO-WDEREUQCSA-N 2 0 227.352 0.537 20 0 BCADRP CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC000882494975 591376007 /nfs/dbraw/zinc/37/60/07/591376007.db2.gz VEDUTWVPAIKICE-GFCCVEGCSA-N 2 0 239.363 0.681 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000129825213 591410928 /nfs/dbraw/zinc/41/09/28/591410928.db2.gz XTSSTOLYHNXFKC-MNOVXSKESA-N 2 0 225.336 0.324 20 0 BCADRP CN(C/C=C\Cl)CC(=O)N1CC[NH2+]CC1 ZINC000213449829 591474258 /nfs/dbraw/zinc/47/42/58/591474258.db2.gz FWTUXCIBDXPRRU-IHWYPQMZSA-N 2 0 231.727 0.103 20 0 BCADRP CN(CC[NH2+][C@@H]1CCSC1)CCOCCO ZINC000883348140 591622848 /nfs/dbraw/zinc/62/28/48/591622848.db2.gz IMQAUAYNDLKZHT-LLVKDONJSA-N 2 0 248.392 0.022 20 0 BCADRP CCN1CC[C@@H]1C[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000883354900 591626312 /nfs/dbraw/zinc/62/63/12/591626312.db2.gz DQHROURGEWQMBZ-TUAOUCFPSA-N 2 0 211.353 0.620 20 0 BCADRP [NH3+]C[C@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883416092 591652720 /nfs/dbraw/zinc/65/27/20/591652720.db2.gz LUPSZZMIPJTFAV-VWYCJHECSA-N 2 0 215.316 0.357 20 0 BCADRP Cn1cncc1CC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000883416241 591652928 /nfs/dbraw/zinc/65/29/28/591652928.db2.gz PQONNBGJCQIQRH-NSHDSACASA-N 2 0 222.336 0.633 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883416702 591653248 /nfs/dbraw/zinc/65/32/48/591653248.db2.gz BXVUZTLLLWOBOE-DCAQKATOSA-N 2 0 215.316 0.228 20 0 BCADRP C[C@@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)[C@@H]1C[NH3+] ZINC000883417726 591653522 /nfs/dbraw/zinc/65/35/22/591653522.db2.gz LCOYSXNEDANHIB-NOOOWODRSA-N 2 0 229.343 0.746 20 0 BCADRP C[C@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)[C@@H]1C[NH3+] ZINC000883417725 591653731 /nfs/dbraw/zinc/65/37/31/591653731.db2.gz LCOYSXNEDANHIB-FIQHERPVSA-N 2 0 229.343 0.746 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2CN(C[C@@H]3C[C@H](F)C[NH2+]3)C[C@@H]21 ZINC000883425557 591659081 /nfs/dbraw/zinc/65/90/81/591659081.db2.gz XFLXDTONZZOAPW-QNWJLWSRSA-N 2 0 241.354 0.746 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883425411 591659531 /nfs/dbraw/zinc/65/95/31/591659531.db2.gz UDWLINDTMFCZJF-VLEAKVRGSA-N 2 0 215.316 0.369 20 0 BCADRP CN(C[C@@H]1C[C@H](F)C[NH2+]1)[C@@H](C[NH3+])C1CC1 ZINC000883428645 591660743 /nfs/dbraw/zinc/66/07/43/591660743.db2.gz ZLQUHOBQJNNRGW-DCAQKATOSA-N 2 0 215.316 0.356 20 0 BCADRP F[C@@H]1C[NH2+][C@H](CN2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000883428295 591660822 /nfs/dbraw/zinc/66/08/22/591660822.db2.gz QKWGFRRYUVAUAA-FIQHERPVSA-N 2 0 227.327 0.370 20 0 BCADRP C[C@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)[C@@H](C)C[NH2+]1 ZINC000883429324 591660883 /nfs/dbraw/zinc/66/08/83/591660883.db2.gz SAWDTSXBTKNEJO-NAKRPEOUSA-N 2 0 215.316 0.369 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@H]1C[NH3+] ZINC000883432859 591662686 /nfs/dbraw/zinc/66/26/86/591662686.db2.gz BTWFGBIEVOHQTG-KVSVUVNWSA-N 2 0 243.370 0.992 20 0 BCADRP C[C@@H]1C[C@@H](C)N(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C[NH3+] ZINC000883432857 591663276 /nfs/dbraw/zinc/66/32/76/591663276.db2.gz BTWFGBIEVOHQTG-BNDIWNMDSA-N 2 0 243.370 0.992 20 0 BCADRP C[C@@H](CCO)[NH2+]CC1CC[NH+](C)CC1 ZINC000132567359 591720806 /nfs/dbraw/zinc/72/08/06/591720806.db2.gz MXLJDUXEPZQISM-JTQLQIEISA-N 2 0 200.326 0.689 20 0 BCADRP C[C@H](CCO)[NH2+]CC1CC[NH+](C)CC1 ZINC000132567587 591720825 /nfs/dbraw/zinc/72/08/25/591720825.db2.gz MXLJDUXEPZQISM-SNVBAGLBSA-N 2 0 200.326 0.689 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000132968635 591751556 /nfs/dbraw/zinc/75/15/56/591751556.db2.gz SIHOOBDCXLALAL-UTLUCORTSA-N 2 0 213.325 0.323 20 0 BCADRP C[C@H]1C[N@H+](CCC(=O)N(C)C)CC[C@@H]1C[NH3+] ZINC000133079382 591762182 /nfs/dbraw/zinc/76/21/82/591762182.db2.gz PONCDQVTAGYBHB-WDEREUQCSA-N 2 0 227.352 0.381 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000884011535 591797419 /nfs/dbraw/zinc/79/74/19/591797419.db2.gz HWJTYSFFLFPXGX-LLVKDONJSA-N 2 0 239.363 0.429 20 0 BCADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884012493 591799194 /nfs/dbraw/zinc/79/91/94/591799194.db2.gz MCYIYJFLFSAJCA-GHMZBOCLSA-N 2 0 241.379 0.864 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000884017549 591800299 /nfs/dbraw/zinc/80/02/99/591800299.db2.gz ZJZHUTNWGCJSQX-GHMZBOCLSA-N 2 0 239.363 0.429 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000884017642 591800582 /nfs/dbraw/zinc/80/05/82/591800582.db2.gz BJXSRQAASDNGMW-WDEREUQCSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000884018535 591801145 /nfs/dbraw/zinc/80/11/45/591801145.db2.gz XJAOWGYEZARIMX-NEPJUHHUSA-N 2 0 241.379 0.879 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000884020826 591801885 /nfs/dbraw/zinc/80/18/85/591801885.db2.gz KVGGDSHBLKYNGS-RYUDHWBXSA-N 2 0 241.379 0.831 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000884021150 591802903 /nfs/dbraw/zinc/80/29/03/591802903.db2.gz SSTPAFVHBSOAMD-VHSXEESVSA-N 2 0 225.336 0.039 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884021508 591802944 /nfs/dbraw/zinc/80/29/44/591802944.db2.gz CXLGTRQDXGRGPE-GHMZBOCLSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH2+]CCNC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884023520 591803928 /nfs/dbraw/zinc/80/39/28/591803928.db2.gz OGCUBIWYAIAWBL-SECBINFHSA-N 2 0 215.341 0.332 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000884026318 591808971 /nfs/dbraw/zinc/80/89/71/591808971.db2.gz ACCGAMQYZFDWAI-QWHCGFSZSA-N 2 0 247.342 0.930 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000884026317 591809073 /nfs/dbraw/zinc/80/90/73/591809073.db2.gz ACCGAMQYZFDWAI-OLZOCXBDSA-N 2 0 247.342 0.930 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000884026824 591809981 /nfs/dbraw/zinc/80/99/81/591809981.db2.gz MNTHQMXBLAVOGV-MNOVXSKESA-N 2 0 239.363 0.348 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000884026743 591810326 /nfs/dbraw/zinc/81/03/26/591810326.db2.gz KVLHBHKUHJJJNI-QWRGUYRKSA-N 2 0 225.336 0.230 20 0 BCADRP CN(C(=O)[C@@H]1C[NH2+]CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000884028220 591812461 /nfs/dbraw/zinc/81/24/61/591812461.db2.gz ASWTYLWBNSJPQO-UWVGGRQHSA-N 2 0 225.336 0.052 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884031381 591814735 /nfs/dbraw/zinc/81/47/35/591814735.db2.gz OABBAUZTBIQRJC-JTQLQIEISA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884031852 591814906 /nfs/dbraw/zinc/81/49/06/591814906.db2.gz AZMSVNSCIVFXNS-QWRGUYRKSA-N 2 0 241.379 0.722 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N(C)[C@H](C)C[NH3+] ZINC000884031909 591815186 /nfs/dbraw/zinc/81/51/86/591815186.db2.gz CLLJMAWHVIKIQH-ZJUUUORDSA-N 2 0 215.341 0.426 20 0 BCADRP C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC2(C)C)CC[NH2+]1 ZINC000884031738 591815425 /nfs/dbraw/zinc/81/54/25/591815425.db2.gz YTWRSZJWAQPPAP-UWVGGRQHSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884033690 591816172 /nfs/dbraw/zinc/81/61/72/591816172.db2.gz REIJDBFSHBIJOP-ZMLRMANQSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC2CC2)[C@H]1C[NH3+] ZINC000884034403 591816399 /nfs/dbraw/zinc/81/63/99/591816399.db2.gz DGUOMRYFKIJPLJ-JLLWLGSASA-N 2 0 239.363 0.700 20 0 BCADRP CN(CCC[NH3+])C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884035988 591817815 /nfs/dbraw/zinc/81/78/15/591817815.db2.gz LZFOCAAYKUNDQA-SECBINFHSA-N 2 0 213.325 0.039 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884036384 591817933 /nfs/dbraw/zinc/81/79/33/591817933.db2.gz UNDYRIONHDNZEX-CMPLNLGQSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)([NH3+])CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884038818 591820464 /nfs/dbraw/zinc/82/04/64/591820464.db2.gz UHQIPXNZLBAIKA-QMMMGPOBSA-N 2 0 213.325 0.086 20 0 BCADRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC(C)C)[NH2+]C ZINC000884040432 591822579 /nfs/dbraw/zinc/82/25/79/591822579.db2.gz TTYDFECXJJTGIJ-NEPJUHHUSA-N 2 0 241.379 0.831 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884042512 591824483 /nfs/dbraw/zinc/82/44/83/591824483.db2.gz AZKWSEVROPQZBP-WDEREUQCSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000884192897 591870754 /nfs/dbraw/zinc/87/07/54/591870754.db2.gz QJNWSQPSZMRYRF-RYUDHWBXSA-N 2 0 241.379 0.688 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)NCC[N@H+](C)C1CC1 ZINC000884200592 591872222 /nfs/dbraw/zinc/87/22/22/591872222.db2.gz GDOIJHUTSFHDCL-LBPRGKRZSA-N 2 0 241.379 0.831 20 0 BCADRP CC(C)[N@@H+](C)CCN[C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000133970596 591872358 /nfs/dbraw/zinc/87/23/58/591872358.db2.gz BDTXXNBFRRMVKL-QWHCGFSZSA-N 2 0 243.395 0.683 20 0 BCADRP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)CC[NH2+]1 ZINC000884272811 591889450 /nfs/dbraw/zinc/88/94/50/591889450.db2.gz DGRDFWXMNKOLQS-GMTAPVOTSA-N 2 0 239.363 0.489 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000884279979 591892862 /nfs/dbraw/zinc/89/28/62/591892862.db2.gz ZCULPJFLRNWEJO-GWCFXTLKSA-N 2 0 239.363 0.429 20 0 BCADRP COCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000884287020 591894855 /nfs/dbraw/zinc/89/48/55/591894855.db2.gz QVXZRIPMQOXKGT-GHMZBOCLSA-N 2 0 243.351 0.080 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000884292078 591895791 /nfs/dbraw/zinc/89/57/91/591895791.db2.gz PXZKDNQEJDCION-GHMZBOCLSA-N 2 0 237.347 0.372 20 0 BCADRP C[C@@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])CC1CC1 ZINC000884292230 591896089 /nfs/dbraw/zinc/89/60/89/591896089.db2.gz UCBIERMLFRFETM-GXSJLCMTSA-N 2 0 227.352 0.748 20 0 BCADRP CC[C@H]([NH3+])CNC(=O)[C@H](CC(C)C)[NH2+]C ZINC000884296670 591896628 /nfs/dbraw/zinc/89/66/28/591896628.db2.gz CLPVFTHVQSYOEU-UWVGGRQHSA-N 2 0 215.341 0.474 20 0 BCADRP CC[C@@H]([NH3+])CNC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884297322 591896786 /nfs/dbraw/zinc/89/67/86/591896786.db2.gz OSTFJPRBXDBGAP-NXEZZACHSA-N 2 0 229.368 0.849 20 0 BCADRP CN(C(=O)[C@@H]([NH3+])CC1CC1)C1(C[NH3+])CCC1 ZINC000884300262 591898851 /nfs/dbraw/zinc/89/88/51/591898851.db2.gz UFROEOURALOXGF-JTQLQIEISA-N 2 0 225.336 0.454 20 0 BCADRP [NH3+][C@@H](CC1CC1)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000884303184 591899251 /nfs/dbraw/zinc/89/92/51/591899251.db2.gz IUUDYSVUMXSZQF-SDDRHHMPSA-N 2 0 237.347 0.324 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000884304715 591900132 /nfs/dbraw/zinc/90/01/32/591900132.db2.gz YPWRXVOEPZGXOA-UWVGGRQHSA-N 2 0 239.363 0.489 20 0 BCADRP CN(C(=O)[C@H]1C[NH2+]CC1(C)C)[C@H](C[NH3+])C1CC1 ZINC000884338359 591905903 /nfs/dbraw/zinc/90/59/03/591905903.db2.gz FXXKBBXOTIELDT-GHMZBOCLSA-N 2 0 239.363 0.428 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884347673 591908967 /nfs/dbraw/zinc/90/89/67/591908967.db2.gz BFICRJWXXAFHOK-XHNCKOQMSA-N 2 0 213.325 0.084 20 0 BCADRP CC(C)([NH3+])CC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884348113 591909615 /nfs/dbraw/zinc/90/96/15/591909615.db2.gz OIVYPLQRWMFLOJ-HTQZYQBOSA-N 2 0 213.325 0.356 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000884348100 591909627 /nfs/dbraw/zinc/90/96/27/591909627.db2.gz NZIBPZJCCCQLFK-LNLATYFQSA-N 2 0 225.336 0.228 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884348410 591910150 /nfs/dbraw/zinc/91/01/50/591910150.db2.gz YJEXOFHKGFWFQM-PTRXPTGYSA-N 2 0 227.352 0.746 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000884358539 591912462 /nfs/dbraw/zinc/91/24/62/591912462.db2.gz RWUZRWFVHJNKBL-AXFHLTTASA-N 2 0 239.363 0.761 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1c[nH+]ccc1N ZINC000884358024 591912465 /nfs/dbraw/zinc/91/24/65/591912465.db2.gz KMGNVFMJYVHVCP-NXEZZACHSA-N 2 0 234.303 0.350 20 0 BCADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884357609 591912555 /nfs/dbraw/zinc/91/25/55/591912555.db2.gz BCGVJELAMFPLLY-JLIMGVALSA-N 2 0 227.352 0.602 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000884358501 591912629 /nfs/dbraw/zinc/91/26/29/591912629.db2.gz RFBNSXUTCQFYSW-BBBLOLIVSA-N 2 0 225.336 0.356 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000884358322 591912669 /nfs/dbraw/zinc/91/26/69/591912669.db2.gz OTTZHTLCUAATMF-AEJSXWLSSA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C)[NH+](C)C ZINC000884358862 591913138 /nfs/dbraw/zinc/91/31/38/591913138.db2.gz ZNUCGPISUYEMDO-MXWKQRLJSA-N 2 0 241.379 0.815 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]([NH3+])CC(F)F ZINC000884357918 591913144 /nfs/dbraw/zinc/91/31/44/591913144.db2.gz IMIPCDRUWXDAMW-QYNIQEEDSA-N 2 0 235.278 0.211 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000884358327 591913169 /nfs/dbraw/zinc/91/31/69/591913169.db2.gz OTTZHTLCUAATMF-OPRDCNLKSA-N 2 0 225.336 0.228 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884359337 591913247 /nfs/dbraw/zinc/91/32/47/591913247.db2.gz ICRDKISZTPTPKU-DJLDLDEBSA-N 2 0 213.325 0.356 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884359339 591913845 /nfs/dbraw/zinc/91/38/45/591913845.db2.gz ICRDKISZTPTPKU-YIZRAAEISA-N 2 0 213.325 0.356 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CC1(C[NH3+])CC1 ZINC000884361316 591914685 /nfs/dbraw/zinc/91/46/85/591914685.db2.gz QDYLQWIBHSMPKE-IUCAKERBSA-N 2 0 225.336 0.357 20 0 BCADRP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000884361557 591915053 /nfs/dbraw/zinc/91/50/53/591915053.db2.gz VAMREUZYMQIANA-RCWTZXSCSA-N 2 0 239.363 0.617 20 0 BCADRP CC1(C)[C@H](NC(=O)CC2([NH3+])CC2)C[C@@H]1[NH3+] ZINC000884363077 591915317 /nfs/dbraw/zinc/91/53/17/591915317.db2.gz XBMFBOYWFFXMIG-JGVFFNPUSA-N 2 0 211.309 0.110 20 0 BCADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000884362403 591915231 /nfs/dbraw/zinc/91/52/31/591915231.db2.gz KLWOVHSPALMNOV-VLEAKVRGSA-N 2 0 239.363 0.746 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000884362402 591915259 /nfs/dbraw/zinc/91/52/59/591915259.db2.gz KLWOVHSPALMNOV-LNFKQOIKSA-N 2 0 239.363 0.746 20 0 BCADRP CC1(C)[C@H](NC(=O)[C@H]2[NH2+]CCC2(C)C)C[C@@H]1[NH3+] ZINC000884361961 591915389 /nfs/dbraw/zinc/91/53/89/591915389.db2.gz CGOZRIMXVPMEAI-IVZWLZJFSA-N 2 0 239.363 0.617 20 0 BCADRP CC(C)[NH2+]CC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884362971 591915728 /nfs/dbraw/zinc/91/57/28/591915728.db2.gz VBXHCBHCSQMWCI-BDAKNGLRSA-N 2 0 213.325 0.226 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884364936 591917284 /nfs/dbraw/zinc/91/72/84/591917284.db2.gz APKMHWDTLVXWGY-OPRDCNLKSA-N 2 0 239.363 0.474 20 0 BCADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884366327 591917571 /nfs/dbraw/zinc/91/75/71/591917571.db2.gz XTFOVFRROTZUBN-HBNTYKKESA-N 2 0 239.363 0.713 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)NCCC1CC[NH2+]CC1 ZINC000884388676 591921650 /nfs/dbraw/zinc/92/16/50/591921650.db2.gz CPLFEGMQQFDRFH-GFCCVEGCSA-N 2 0 239.363 0.620 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N(C)CC(C)(C)[NH3+] ZINC000884397007 591924813 /nfs/dbraw/zinc/92/48/13/591924813.db2.gz TWHVZGJZWJQCAL-JTQLQIEISA-N 2 0 229.368 0.816 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000884403977 591925647 /nfs/dbraw/zinc/92/56/47/591925647.db2.gz XTGGVFZKTCJUTH-JTQLQIEISA-N 2 0 239.363 0.620 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884416105 591927579 /nfs/dbraw/zinc/92/75/79/591927579.db2.gz QLQIECQHLABTID-MNOVXSKESA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884416250 591928033 /nfs/dbraw/zinc/92/80/33/591928033.db2.gz WFZOQBGVVRCCLF-WDEREUQCSA-N 2 0 241.379 0.722 20 0 BCADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CC2CC2)C[NH2+]1 ZINC000884437837 591934409 /nfs/dbraw/zinc/93/44/09/591934409.db2.gz OBBVXIRHISNZEE-MIMYLULJSA-N 2 0 225.336 0.371 20 0 BCADRP C[C@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000134528809 591934623 /nfs/dbraw/zinc/93/46/23/591934623.db2.gz MLOYHYFKXJPDNS-GHMZBOCLSA-N 2 0 227.352 0.442 20 0 BCADRP C[NH2+][C@@H](CC(C)C)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884457966 591940076 /nfs/dbraw/zinc/94/00/76/591940076.db2.gz RQGXHXKUOORXDF-TUAOUCFPSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884458301 591940224 /nfs/dbraw/zinc/94/02/24/591940224.db2.gz BBRHNFVHKJDSKF-QNSHHTMESA-N 2 0 211.309 0.062 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884459260 591941083 /nfs/dbraw/zinc/94/10/83/591941083.db2.gz ZPSZMCMYILXILH-BBBLOLIVSA-N 2 0 225.336 0.180 20 0 BCADRP CC1(C)CC[NH2+]CCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884468190 591942820 /nfs/dbraw/zinc/94/28/20/591942820.db2.gz UCOCKEQQUKHMJW-LLVKDONJSA-N 2 0 239.363 0.714 20 0 BCADRP Cc1ncnc(NCC[N@H+](C)CCO)c1C ZINC000884826168 592018285 /nfs/dbraw/zinc/01/82/85/592018285.db2.gz MKFFZDOFHVCWHE-UHFFFAOYSA-N 2 0 224.308 0.429 20 0 BCADRP C([C@H]1C[C@@]12CCOC2)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000885961391 592115531 /nfs/dbraw/zinc/11/55/31/592115531.db2.gz XBFJAIXCPDUXNU-FDYHWXHSSA-N 2 0 222.332 0.564 20 0 BCADRP CC[NH+](CC)C[C@@H](C)NC(=O)C[C@H]([NH3+])C1CC1 ZINC000137385030 592175956 /nfs/dbraw/zinc/17/59/56/592175956.db2.gz OTXNONUERWIUFJ-PWSUYJOCSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@H](CNC(=O)C[C@H]([NH3+])C1CC1)[NH+]1CCCC1 ZINC000137446882 592183562 /nfs/dbraw/zinc/18/35/62/592183562.db2.gz DUKYHPBQSMCKEU-PWSUYJOCSA-N 2 0 239.363 0.714 20 0 BCADRP C[C@@H](CNC(=O)C[C@@H]([NH3+])C1CC1)[NH+]1CCCC1 ZINC000137446939 592183712 /nfs/dbraw/zinc/18/37/12/592183712.db2.gz DUKYHPBQSMCKEU-CMPLNLGQSA-N 2 0 239.363 0.714 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000219924997 592265319 /nfs/dbraw/zinc/26/53/19/592265319.db2.gz UQXFLEHCHIZRGR-TUAOUCFPSA-N 2 0 239.363 0.585 20 0 BCADRP C([C@@H]1C[C@]12CCOC2)[N@@H+]1CCC[NH2+]CC1 ZINC000886827413 592350154 /nfs/dbraw/zinc/35/01/54/592350154.db2.gz KOQXJBUGLPWJOZ-RYUDHWBXSA-N 2 0 210.321 0.708 20 0 BCADRP [NH3+]CCN(CC[C@@H]1C[C@H]1C1CC1)C[C@H](O)CO ZINC000886841191 592360394 /nfs/dbraw/zinc/36/03/94/592360394.db2.gz FCAHUZJCBIPXSW-AGIUHOORSA-N 2 0 242.363 0.037 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@@H]1C[C@]12CCOC2 ZINC000886841644 592363033 /nfs/dbraw/zinc/36/30/33/592363033.db2.gz RINCTWYZKIOFHE-RYUDHWBXSA-N 2 0 228.336 0.320 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@]23CCOC3)C[C@H]1C[NH3+] ZINC000886841827 592363332 /nfs/dbraw/zinc/36/33/32/592363332.db2.gz XBXHDDWOULTSLG-NDBYEHHHSA-N 2 0 224.348 0.940 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@H]1C[C@]12CCOC2 ZINC000886841642 592363555 /nfs/dbraw/zinc/36/35/55/592363555.db2.gz RINCTWYZKIOFHE-NEPJUHHUSA-N 2 0 228.336 0.320 20 0 BCADRP CCN(C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CC[NH2+]C1 ZINC000886847060 592365150 /nfs/dbraw/zinc/36/51/50/592365150.db2.gz YACVRGAIPNPYKB-RYUDHWBXSA-N 2 0 239.363 0.191 20 0 BCADRP c1nnn2c1C[N@H+](CC[C@@H]1CCC[NH2+]C1)CCC2 ZINC000886857881 592370816 /nfs/dbraw/zinc/37/08/16/592370816.db2.gz DPWSLIUQHHMKIA-LBPRGKRZSA-N 2 0 249.362 0.874 20 0 BCADRP c1c(CN2CC[NH2+]CC2)sc2c1C[NH2+]CC2 ZINC000139597444 592417087 /nfs/dbraw/zinc/41/70/87/592417087.db2.gz DENKKSWQWCIQAP-UHFFFAOYSA-N 2 0 237.372 0.799 20 0 BCADRP C[C@H](CNC(=[NH2+])NCC1CC1)C[NH+](C)C ZINC000887360616 592489469 /nfs/dbraw/zinc/48/94/69/592489469.db2.gz PCRODBDJHBUMHA-SECBINFHSA-N 2 0 212.341 0.708 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=[NH2+])NCC(F)F ZINC000887346072 592483613 /nfs/dbraw/zinc/48/36/13/592483613.db2.gz PDWKVPZHPAIQDG-UHFFFAOYSA-N 2 0 236.310 0.953 20 0 BCADRP C[C@H](CNC(=[NH2+])NCC(F)F)[N@H+](C)C1CC1 ZINC000887352501 592486530 /nfs/dbraw/zinc/48/65/30/592486530.db2.gz CDOOFLOXTLKNGE-SSDOTTSWSA-N 2 0 234.294 0.848 20 0 BCADRP CC(C)(C)[NH2+]CCNC(=[NH2+])NCC1CC1 ZINC000887354171 592487190 /nfs/dbraw/zinc/48/71/90/592487190.db2.gz SISAVBROBOKELK-UHFFFAOYSA-N 2 0 212.341 0.898 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000300360692 592508656 /nfs/dbraw/zinc/50/86/56/592508656.db2.gz YVSJVXKBBOTJBT-QWRGUYRKSA-N 2 0 225.336 0.324 20 0 BCADRP C[NH+]1CCC(CNC(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000302674570 592551497 /nfs/dbraw/zinc/55/14/97/592551497.db2.gz MYKRYEYYCSDUMT-GFCCVEGCSA-N 2 0 239.363 0.572 20 0 BCADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000925702353 634377655 /nfs/dbraw/zinc/37/76/55/634377655.db2.gz OCGBBFHRINNCLM-UKKRHICBSA-N 2 0 239.363 0.746 20 0 BCADRP [NH3+]CC1(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925703043 634379474 /nfs/dbraw/zinc/37/94/74/634379474.db2.gz SHMXBSAGPTXCHM-LLVKDONJSA-N 3 0 223.364 0.990 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000925704972 634384148 /nfs/dbraw/zinc/38/41/48/634384148.db2.gz HBJDDDMTLRCGIP-XWLWVQCSSA-N 2 0 215.316 0.417 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000925707607 634395913 /nfs/dbraw/zinc/39/59/13/634395913.db2.gz LXZMBKSKKMUAKH-RKDXNWHRSA-N 2 0 233.306 0.714 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925710644 634406818 /nfs/dbraw/zinc/40/68/18/634406818.db2.gz QIRYZHXNSYZHCR-VWYCJHECSA-N 3 0 211.353 0.973 20 0 BCADRP CC[C@H]([NH3+])CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925709698 634407592 /nfs/dbraw/zinc/40/75/92/634407592.db2.gz PXSKKWFGXFXUGH-DCHHYWPUSA-N 2 0 209.337 0.310 20 0 BCADRP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000124308268 634410810 /nfs/dbraw/zinc/41/08/10/634410810.db2.gz ZKDKXRAOQFFGJY-GARJFASQSA-N 2 0 225.336 0.372 20 0 BCADRP COC[C@H](CC[NH2+][C@H]1CC[NH2+]C12CCC2)OC ZINC000925713189 634414202 /nfs/dbraw/zinc/41/42/02/634414202.db2.gz KSMFFSAFMCRNDM-RYUDHWBXSA-N 2 0 242.363 0.912 20 0 BCADRP C[NH2+]C[C@@H](C)N[C@H]1CC[NH2+]C12CCCC2 ZINC000925715392 634437133 /nfs/dbraw/zinc/43/71/33/634437133.db2.gz CJCITZUJCYFNIN-MNOVXSKESA-N 2 0 211.353 0.859 20 0 BCADRP C[NH2+]C[C@H](C)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925715394 634437689 /nfs/dbraw/zinc/43/76/89/634437689.db2.gz CJCITZUJCYFNIN-WDEREUQCSA-N 2 0 211.353 0.859 20 0 BCADRP COC[C@H](CC[NH2+][C@@H]1CC[NH2+]C1(C)C)OC ZINC000925714777 634432345 /nfs/dbraw/zinc/43/23/45/634432345.db2.gz WNXYPCHDMLGMPU-WDEREUQCSA-N 2 0 230.352 0.768 20 0 BCADRP C[C@@H]1CC[C@H](N[C@H]2CC[NH2+]C2(C)C)C[NH2+]1 ZINC000925716343 634444301 /nfs/dbraw/zinc/44/43/01/634444301.db2.gz DDHSDGBJWFWODM-VWYCJHECSA-N 2 0 211.353 0.857 20 0 BCADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]CCOCCF ZINC000925716526 634447132 /nfs/dbraw/zinc/44/71/32/634447132.db2.gz OMLOGHUEEVIMFV-BKUVIOGVSA-N 2 0 246.326 0.314 20 0 BCADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]CCOCCF ZINC000925716529 634447688 /nfs/dbraw/zinc/44/76/88/634447688.db2.gz OMLOGHUEEVIMFV-NWRZOEAASA-N 2 0 246.326 0.314 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925717652 634454875 /nfs/dbraw/zinc/45/48/75/634454875.db2.gz CNOWFQXCZOZOGU-QWRGUYRKSA-N 3 0 227.352 0.082 20 0 BCADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000257717876 634479563 /nfs/dbraw/zinc/47/95/63/634479563.db2.gz SHEYNKMZALXDLY-VXGBXAGGSA-N 2 0 239.363 0.526 20 0 BCADRP C([C@H]1CC[NH2+]C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257740636 634488575 /nfs/dbraw/zinc/48/85/75/634488575.db2.gz YUWMSCPESTURFD-QWHCGFSZSA-N 2 0 223.364 0.671 20 0 BCADRP CCC[C@](C)([NH3+])C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335626089 634499963 /nfs/dbraw/zinc/49/99/63/634499963.db2.gz XOETWSDXJZOUGA-QWHCGFSZSA-N 2 0 239.363 0.858 20 0 BCADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335638290 634503273 /nfs/dbraw/zinc/50/32/73/634503273.db2.gz HMXKXRTULRHWGQ-ZWNOBZJWSA-N 2 0 237.347 0.481 20 0 BCADRP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335637605 634505269 /nfs/dbraw/zinc/50/52/69/634505269.db2.gz FSPBPZPVXFIPCP-AAEUAGOBSA-N 2 0 237.347 0.483 20 0 BCADRP C[N@@H+]1CC[C@H](c2nc(C3CC[NH2+]CC3)no2)C1 ZINC000258031204 634548568 /nfs/dbraw/zinc/54/85/68/634548568.db2.gz NVVWALHHVDJKHT-JTQLQIEISA-N 2 0 236.319 0.956 20 0 BCADRP C[C@@]1(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC[NH2+]C1 ZINC000663012144 634556204 /nfs/dbraw/zinc/55/62/04/634556204.db2.gz UQMFOSSJLNLFBC-WCBMZHEXSA-N 2 0 247.289 0.099 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000125573115 634563386 /nfs/dbraw/zinc/56/33/86/634563386.db2.gz VLUJXRLSLOJNRN-LBPRGKRZSA-N 2 0 239.363 0.670 20 0 BCADRP C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH2+]C(C)(C)C ZINC000226084399 635422710 /nfs/dbraw/zinc/42/27/10/635422710.db2.gz UIRCBQGKTJRDNF-NSHDSACASA-N 2 0 241.379 0.975 20 0 BCADRP CC[C@H](C)[N@H+](C)CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000230063685 635479572 /nfs/dbraw/zinc/47/95/72/635479572.db2.gz ATGYZQAOLIZDAZ-CMPLNLGQSA-N 2 0 241.379 0.960 20 0 BCADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000095015739 635508932 /nfs/dbraw/zinc/50/89/32/635508932.db2.gz XPPADZHVTXIMON-IJLUTSLNSA-N 2 0 211.353 0.763 20 0 BCADRP CCS(=O)(=O)CC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000233831699 635542262 /nfs/dbraw/zinc/54/22/62/635542262.db2.gz MNCQDKISOHBASC-QWRGUYRKSA-N 2 0 248.392 0.338 20 0 BCADRP CCC[C@H](O)CC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000925857580 635549062 /nfs/dbraw/zinc/54/90/62/635549062.db2.gz MOEIVUVNLVJHGF-KOLCDFICSA-N 2 0 200.326 0.735 20 0 BCADRP CN(C[C@H](O)C[NH+]1CCCC1)CC(C)(C)C[NH3+] ZINC000310333720 635621625 /nfs/dbraw/zinc/62/16/25/635621625.db2.gz CDVCLJJBZVTWGH-LBPRGKRZSA-N 2 0 243.395 0.360 20 0 BCADRP C[C@H]([NH2+]CCO[C@H]1CCOC1)[C@H]1CC[NH2+]C1 ZINC000925874796 635596510 /nfs/dbraw/zinc/59/65/10/635596510.db2.gz NNTXNWSFSUQBFV-SRVKXCTJSA-N 2 0 228.336 0.380 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000925875360 635597329 /nfs/dbraw/zinc/59/73/29/635597329.db2.gz RPYDSQRFODMXTF-TUAOUCFPSA-N 2 0 228.336 0.509 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000925875357 635597560 /nfs/dbraw/zinc/59/75/60/635597560.db2.gz RPYDSQRFODMXTF-QJPTWQEYSA-N 2 0 228.336 0.509 20 0 BCADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CCC([NH3+])CC2)C1 ZINC000925880894 635610743 /nfs/dbraw/zinc/61/07/43/635610743.db2.gz WMHPFMGMFJZIAH-UZEXVOJHSA-N 3 0 211.353 0.973 20 0 BCADRP C[C@@H](CC[NH+](C)C)NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891449722 631345417 /nfs/dbraw/zinc/34/54/17/631345417.db2.gz BTXOBVJSGSYCTD-DCAQKATOSA-N 2 0 240.351 0.082 20 0 BCADRP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC)C1)[NH+](C)C ZINC000971777818 631453643 /nfs/dbraw/zinc/45/36/43/631453643.db2.gz HTKLNAIDIIXUAZ-VXGBXAGGSA-N 2 0 241.379 0.879 20 0 BCADRP C[C@@H](O)CC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733474 631493849 /nfs/dbraw/zinc/49/38/49/631493849.db2.gz KALDZIHSRXNECK-GRYCIOLGSA-N 2 0 212.337 0.641 20 0 BCADRP CC[NH+](CC)CCCN1CC[C@H]1CO ZINC000934015037 631607795 /nfs/dbraw/zinc/60/77/95/631607795.db2.gz QSJKWRKSHZLGCE-NSHDSACASA-N 2 0 200.326 0.785 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000178741273 635680740 /nfs/dbraw/zinc/68/07/40/635680740.db2.gz SELZZUBWBXYPNU-MXWKQRLJSA-N 2 0 225.336 0.372 20 0 BCADRP [NH3+][C@H]1C[C@H](CNC(=O)NCCC[NH2+]C2CC2)C1 ZINC000891967381 631652582 /nfs/dbraw/zinc/65/25/82/631652582.db2.gz AGLXZELHKPVJBM-MGCOHNPYSA-N 2 0 240.351 0.165 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C)C1 ZINC000234702076 631666478 /nfs/dbraw/zinc/66/64/78/631666478.db2.gz OXTZBAVUOMNOJO-QWRGUYRKSA-N 2 0 215.341 0.034 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000308819522 631673285 /nfs/dbraw/zinc/67/32/85/631673285.db2.gz BNZFIBPYHPYSEP-VIFPVBQESA-N 2 0 201.314 0.230 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000891999468 631697332 /nfs/dbraw/zinc/69/73/32/631697332.db2.gz KIUUKDNLSLDPBL-VIFPVBQESA-N 2 0 228.340 0.165 20 0 BCADRP C[C@@H](CC[NH+](C)C)Nc1cc[nH+]cc1CO ZINC000892085121 631724724 /nfs/dbraw/zinc/72/47/24/631724724.db2.gz IEJYTVBVRGMSKJ-JTQLQIEISA-N 2 0 223.320 0.748 20 0 BCADRP C[C@H]([NH3+])CNC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000892101928 631731187 /nfs/dbraw/zinc/73/11/87/631731187.db2.gz GTJXBLNYYDGSMF-VHSXEESVSA-N 2 0 242.367 0.411 20 0 BCADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000892171352 631753111 /nfs/dbraw/zinc/75/31/11/631753111.db2.gz XWCSLRWXLQNAQO-CHWFTXMASA-N 2 0 240.351 0.150 20 0 BCADRP C[NH+]1CCC(C[NH2+]CC(C)(C)O)CC1 ZINC000044518031 631816587 /nfs/dbraw/zinc/81/65/87/631816587.db2.gz BATKFGMFGCXWIM-UHFFFAOYSA-N 2 0 200.326 0.689 20 0 BCADRP CCNC(=O)C[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309118939 631889883 /nfs/dbraw/zinc/88/98/83/631889883.db2.gz SEVZHOFKGUJHDO-ZJUUUORDSA-N 2 0 213.325 0.182 20 0 BCADRP CO[C@@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309113924 631887409 /nfs/dbraw/zinc/88/74/09/631887409.db2.gz JJYKRKGPVXDFJB-NWDGAFQWSA-N 2 0 228.336 0.164 20 0 BCADRP C[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000091395011 631958320 /nfs/dbraw/zinc/95/83/20/631958320.db2.gz GDVSWGRFPSCHLH-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)[NH+](C)C ZINC000235144568 631986359 /nfs/dbraw/zinc/98/63/59/631986359.db2.gz CFFVLZYKCLFECC-QWRGUYRKSA-N 2 0 241.379 0.831 20 0 BCADRP CCOC(=O)CN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000309345564 632005277 /nfs/dbraw/zinc/00/52/77/632005277.db2.gz MCSLLVVYMKAYLA-WDEREUQCSA-N 2 0 226.320 0.433 20 0 BCADRP CC(C)C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(N)=O ZINC000051919348 632012360 /nfs/dbraw/zinc/01/23/60/632012360.db2.gz PDZKJNWWGRMZTC-LBPRGKRZSA-N 2 0 241.379 0.819 20 0 BCADRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NC2CC2)C1 ZINC000052043913 632052210 /nfs/dbraw/zinc/05/22/10/632052210.db2.gz NPTKJKNFANRKOH-SECBINFHSA-N 2 0 210.325 0.605 20 0 BCADRP O=C(C[NH2+]CC1CC1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877399230 635697955 /nfs/dbraw/zinc/69/79/55/635697955.db2.gz KVDDSPJAFMKYEO-WCQYABFASA-N 2 0 237.347 0.387 20 0 BCADRP [NH3+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250818512 635701828 /nfs/dbraw/zinc/70/18/28/635701828.db2.gz FTLOPCVADYFDOA-MXWKQRLJSA-N 2 0 225.336 0.372 20 0 BCADRP C[C@H]1C[N@H+](CC(=O)NC2CC2)CC[C@H]1C[NH3+] ZINC000251863175 635707540 /nfs/dbraw/zinc/70/75/40/635707540.db2.gz SRKDFMAGSNMQQL-UWVGGRQHSA-N 2 0 225.336 0.182 20 0 BCADRP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023086457 632125825 /nfs/dbraw/zinc/12/58/25/632125825.db2.gz MPXPXBBDCWSFCU-UTUOFQBUSA-N 2 0 239.363 0.583 20 0 BCADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCF)C2)C1 ZINC001023086822 632126541 /nfs/dbraw/zinc/12/65/41/632126541.db2.gz YLGYBOMCXWYNEE-GARJFASQSA-N 2 0 243.326 0.144 20 0 BCADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000178834600 635734881 /nfs/dbraw/zinc/73/48/81/635734881.db2.gz XFKCPCACBROLIH-SNVBAGLBSA-N 2 0 213.325 0.135 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250240985 632542586 /nfs/dbraw/zinc/54/25/86/632542586.db2.gz LFCLZMVLVCROBQ-DCAQKATOSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253193145 632566364 /nfs/dbraw/zinc/56/63/64/632566364.db2.gz OHDKTMPFDNBLBX-GMTAPVOTSA-N 2 0 227.352 0.380 20 0 BCADRP COC(=O)[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000260224817 632632368 /nfs/dbraw/zinc/63/23/68/632632368.db2.gz WDMOGTLGPISZAF-LBPRGKRZSA-N 2 0 240.347 0.823 20 0 BCADRP C[N@H+](C[C@H](O)C[NH3+])C[C@H](O)CC1CCCC1 ZINC000309736467 632663376 /nfs/dbraw/zinc/66/33/76/632663376.db2.gz GPWPGOGILGOUQK-VXGBXAGGSA-N 2 0 230.352 0.179 20 0 BCADRP C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000310263041 632711281 /nfs/dbraw/zinc/71/12/81/632711281.db2.gz MEMAUXZMXAANSD-AGIUHOORSA-N 2 0 241.379 0.255 20 0 BCADRP [NH3+]C[C@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000310276665 632713264 /nfs/dbraw/zinc/71/32/64/632713264.db2.gz OPLVBPYJYDAUGS-OLZOCXBDSA-N 2 0 241.379 0.114 20 0 BCADRP C[NH+](C)CC(C)(C)CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000310486896 632748884 /nfs/dbraw/zinc/74/88/84/632748884.db2.gz GRWLNXCCOQQOBA-LLVKDONJSA-N 2 0 241.379 0.818 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000310523117 632758009 /nfs/dbraw/zinc/75/80/09/632758009.db2.gz MKBMVUHXDGADAK-OLZOCXBDSA-N 3 0 241.379 0.114 20 0 BCADRP OCCC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000924536919 632769601 /nfs/dbraw/zinc/76/96/01/632769601.db2.gz VGXBASWNRSLZIG-NWDGAFQWSA-N 2 0 212.337 0.975 20 0 BCADRP CCNC(=[NH2+])NCC1CC[NH+](CC)CC1 ZINC000052044408 632782250 /nfs/dbraw/zinc/78/22/50/632782250.db2.gz DBJNASYDTHAWOB-UHFFFAOYSA-N 2 0 212.341 0.852 20 0 BCADRP CNC(NC[C@H](C(C)C)[NH+]1CCCC1)=[NH+]C ZINC000066245135 632859947 /nfs/dbraw/zinc/85/99/47/632859947.db2.gz XRKSXWYSJPKFBG-LLVKDONJSA-N 2 0 226.368 0.902 20 0 BCADRP C=CCNC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000066245671 632861420 /nfs/dbraw/zinc/86/14/20/632861420.db2.gz IGSQFVYTWJTIIO-JTQLQIEISA-N 2 0 210.325 0.417 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000892549436 632956456 /nfs/dbraw/zinc/95/64/56/632956456.db2.gz SOTSSQNNAKNALF-AXFHLTTASA-N 2 0 240.351 0.117 20 0 BCADRP CC(C)([NH3+])CCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892564475 632974611 /nfs/dbraw/zinc/97/46/11/632974611.db2.gz HHCQUARRXMFQIR-KYZUINATSA-N 2 0 228.340 0.150 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000309383862 633000108 /nfs/dbraw/zinc/00/01/08/633000108.db2.gz DTVOBNRYJNETCD-JTQLQIEISA-N 2 0 213.325 0.183 20 0 BCADRP CC(C)(C[NH3+])C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335516325 635880514 /nfs/dbraw/zinc/88/05/14/635880514.db2.gz VBNKRBKPGYFGDN-GFCCVEGCSA-N 2 0 225.336 0.326 20 0 BCADRP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335516308 635881212 /nfs/dbraw/zinc/88/12/12/635881212.db2.gz UOTVIZLPPJBJFF-DGCLKSJQSA-N 2 0 237.347 0.341 20 0 BCADRP C[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000062858080 633127481 /nfs/dbraw/zinc/12/74/81/633127481.db2.gz ZLBHXVKYBZPJQK-CMPLNLGQSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000167529543 633131556 /nfs/dbraw/zinc/13/15/56/633131556.db2.gz LSOVBMQQVFRIGH-NWDGAFQWSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@]1(CN2CC[NH+](C3CC3)CC2)CC[NH2+]C1 ZINC000062911723 633137661 /nfs/dbraw/zinc/13/76/61/633137661.db2.gz XCDHVEXMNARDIA-ZDUSSCGKSA-N 2 0 223.364 0.766 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCN2C)CC[N@@H+]1C ZINC000928444408 635949592 /nfs/dbraw/zinc/94/95/92/635949592.db2.gz ZAPKEAVCHOJOAS-WOPDTQHZSA-N 2 0 239.363 0.680 20 0 BCADRP CC(C)[N@H+](C[C@@H](O)CO)CC1CC[NH+](C)CC1 ZINC000894981864 636012016 /nfs/dbraw/zinc/01/20/16/636012016.db2.gz VHMUPPGSQDHVSO-CYBMUJFWSA-N 2 0 244.379 0.392 20 0 BCADRP CC1(C)C[NH2+]CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000310442641 636050565 /nfs/dbraw/zinc/05/05/65/636050565.db2.gz WDNYTQFIYFQOGY-LBPRGKRZSA-N 2 0 241.379 0.127 20 0 BCADRP CC[C@H]1C[N@H+](C[C@@H](O)COC)CC[C@@H]1[NH3+] ZINC000226035512 636102244 /nfs/dbraw/zinc/10/22/44/636102244.db2.gz BXYXYMQGJFHTTF-AXFHLTTASA-N 2 0 216.325 0.053 20 0 BCADRP CO[C@H](C[NH2+]CC[C@H](C)[NH+](C)C)[C@H]1CCOC1 ZINC000895291281 636131716 /nfs/dbraw/zinc/13/17/16/636131716.db2.gz AZIJNHLHHDRBFN-RWMBFGLXSA-N 2 0 244.379 0.968 20 0 BCADRP OCC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000328570037 633778265 /nfs/dbraw/zinc/77/82/65/633778265.db2.gz RBEXNPYBLMAIIG-RNWYCLNJSA-N 2 0 222.332 0.345 20 0 BCADRP C[C@H](O)CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328572555 633778687 /nfs/dbraw/zinc/77/86/87/633778687.db2.gz URTMCGDJIILTKJ-MCDVFOBDSA-N 2 0 224.348 0.733 20 0 BCADRP C[NH+]1CCC(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000328568833 633779264 /nfs/dbraw/zinc/77/92/64/633779264.db2.gz PUASLRMYKKLRDM-LXFSFDBISA-N 3 0 249.402 0.914 20 0 BCADRP COC[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000053172501 633877450 /nfs/dbraw/zinc/87/74/50/633877450.db2.gz KOXOLHHHAIKFBN-GFCCVEGCSA-N 2 0 229.368 0.248 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCO[C@H]1CCOC1 ZINC000925552701 634006533 /nfs/dbraw/zinc/00/65/33/634006533.db2.gz LXOZQTJGWQORFX-RYUDHWBXSA-N 2 0 242.363 0.912 20 0 BCADRP C(C1CC1)[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925557683 634032881 /nfs/dbraw/zinc/03/28/81/634032881.db2.gz PXVRLAMLUDVDEG-QWHCGFSZSA-N 2 0 239.363 0.049 20 0 BCADRP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CCCC[NH+](C)C ZINC000310091432 634069902 /nfs/dbraw/zinc/06/99/02/634069902.db2.gz JPMQZOSSOIGTRL-VXGBXAGGSA-N 2 0 241.379 0.975 20 0 BCADRP CO[C@@H]1COCC[C@H]1N(C)C[C@H]1CCC[NH2+]1 ZINC000310134106 634079018 /nfs/dbraw/zinc/07/90/18/634079018.db2.gz BLNKGXVCVQTUHY-IJLUTSLNSA-N 2 0 228.336 0.474 20 0 BCADRP CC(C)[N@H+](C)CCCN[C@H]1C[NH2+]CCOC1 ZINC000925606981 634137047 /nfs/dbraw/zinc/13/70/47/634137047.db2.gz RDLNMENSXQLSAX-LBPRGKRZSA-N 2 0 229.368 0.295 20 0 BCADRP C[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925611184 634151203 /nfs/dbraw/zinc/15/12/03/634151203.db2.gz BHCYVBVHHINFTB-UTLUCORTSA-N 2 0 200.326 0.863 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000925611779 634152398 /nfs/dbraw/zinc/15/23/98/634152398.db2.gz GGADRJYLUNNXJS-YNEHKIRRSA-N 2 0 241.379 0.173 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000925611777 634152989 /nfs/dbraw/zinc/15/29/89/634152989.db2.gz GGADRJYLUNNXJS-RWMBFGLXSA-N 2 0 241.379 0.173 20 0 BCADRP COC[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925667823 634245074 /nfs/dbraw/zinc/24/50/74/634245074.db2.gz SLAORFCXEIABHR-GMTAPVOTSA-N 2 0 230.352 0.489 20 0 BCADRP COC[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925667825 634246209 /nfs/dbraw/zinc/24/62/09/634246209.db2.gz SLAORFCXEIABHR-HBNTYKKESA-N 2 0 230.352 0.489 20 0 BCADRP CC1(C)C[C@@H](N[C@H]2CC[NH2+]C2)C[C@@H]([NH3+])C1 ZINC000925687774 634303977 /nfs/dbraw/zinc/30/39/77/634303977.db2.gz AZVIPZCSZBGMSG-VWYCJHECSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@H]1[NH2+]CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925690146 634312356 /nfs/dbraw/zinc/31/23/56/634312356.db2.gz FJJUIYBKECWOIX-VKYHIEHISA-N 2 0 223.364 1.000 20 0 BCADRP C[NH2+]CCN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925692600 634324068 /nfs/dbraw/zinc/32/40/68/634324068.db2.gz NEQNXSHODUYFQN-CMPLNLGQSA-N 2 0 207.321 0.884 20 0 BCADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)C12CCC2 ZINC000925696776 634356515 /nfs/dbraw/zinc/35/65/15/634356515.db2.gz AUOATNHNANCBQN-NEPJUHHUSA-N 3 0 221.348 0.766 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925696989 634356566 /nfs/dbraw/zinc/35/65/66/634356566.db2.gz CRKUFFKMWDHSAJ-RHYQMDGZSA-N 2 0 223.364 0.844 20 0 BCADRP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925696991 634358199 /nfs/dbraw/zinc/35/81/99/634358199.db2.gz CRKUFFKMWDHSAJ-WRWGMCAJSA-N 2 0 223.364 0.844 20 0 BCADRP CC1(C)[C@H](NC[C@@H]2CC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925696949 634358773 /nfs/dbraw/zinc/35/87/73/634358773.db2.gz CDQHNHQESCKAJB-FVCCEPFGSA-N 2 0 237.391 0.962 20 0 BCADRP C[C@@H]([NH3+])c1ccc(CN[C@@H]2C[NH2+]CCOC2)cc1 ZINC000925697334 634359996 /nfs/dbraw/zinc/35/99/96/634359996.db2.gz DRQKCPNDPYJNLA-BXUZGUMPSA-N 2 0 249.358 0.784 20 0 BCADRP C(N[C@H]1CC[NH2+]C[C@H]1C1CCCC1)C1C[NH2+]C1 ZINC000925699329 634366583 /nfs/dbraw/zinc/36/65/83/634366583.db2.gz ODLKXBOCVIUWED-KBPBESRZSA-N 2 0 237.391 0.964 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[NH2+]C1(C)C ZINC000925699264 634366941 /nfs/dbraw/zinc/36/69/41/634366941.db2.gz JTGIGXQTYQKVLY-OUAUKWLOSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[NH2+]C1(C)C ZINC000925700046 634368715 /nfs/dbraw/zinc/36/87/15/634368715.db2.gz MYPSSSPGMLUOGZ-DCAQKATOSA-N 2 0 211.353 0.857 20 0 BCADRP [NH3+]C[C@H](N[C@@H]1C[C@@H]([NH3+])C12CCC2)C1CC1 ZINC000925700007 634369369 /nfs/dbraw/zinc/36/93/69/634369369.db2.gz QWGOWYKFFALCLY-HBNTYKKESA-N 2 0 209.337 0.583 20 0 BCADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000857102796 634373335 /nfs/dbraw/zinc/37/33/35/634373335.db2.gz NKJKTMBQHJTQEU-HBNTYKKESA-N 2 0 242.367 0.506 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925701412 634374855 /nfs/dbraw/zinc/37/48/55/634374855.db2.gz ZBAYHBVHJWPHFI-YDQFZURESA-N 2 0 235.375 0.713 20 0 BCADRP [NH3+]C[C@H]1CC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000258430176 635149894 /nfs/dbraw/zinc/14/98/94/635149894.db2.gz GZQNVTTWNSZKQA-ZIAGYGMSSA-N 2 0 234.343 0.871 20 0 BCADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000258430166 635150274 /nfs/dbraw/zinc/15/02/74/635150274.db2.gz GZQNVTTWNSZKQA-KBPBESRZSA-N 2 0 234.343 0.871 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925775942 635249039 /nfs/dbraw/zinc/24/90/39/635249039.db2.gz IIJORCQPWOZMKR-IVZWLZJFSA-N 2 0 233.306 0.701 20 0 BCADRP COC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)[C@@H]1CCCOC1 ZINC000925777828 635260379 /nfs/dbraw/zinc/26/03/79/635260379.db2.gz HJPLSCDAVSIIIZ-LOWVWBTDSA-N 2 0 242.363 0.626 20 0 BCADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CCC[NH3+] ZINC000236818028 635341393 /nfs/dbraw/zinc/34/13/93/635341393.db2.gz VZFSYZDVUVDVCH-SNVBAGLBSA-N 2 0 215.341 0.557 20 0 BCADRP C[NH2+][C@@H](C)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000054075649 635345248 /nfs/dbraw/zinc/34/52/48/635345248.db2.gz WGCQLCGSEGYCPY-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP CC[C@@H]([NH2+]C1CC(CC(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000925819988 635394338 /nfs/dbraw/zinc/39/43/38/635394338.db2.gz BDUTVOHZUGUCMK-HCWSGVFWSA-N 2 0 239.363 0.761 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925832873 635474307 /nfs/dbraw/zinc/47/43/07/635474307.db2.gz QNOCYFJRLFIZKP-KQSJRHEJSA-N 2 0 228.336 0.506 20 0 BCADRP C[C@H]([NH2+]CCO[C@@H]1CCOC1)[C@H]1CC[NH2+]C1 ZINC000925874795 635595732 /nfs/dbraw/zinc/59/57/32/635595732.db2.gz NNTXNWSFSUQBFV-SDDRHHMPSA-N 2 0 228.336 0.380 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870983130 636397939 /nfs/dbraw/zinc/39/79/39/636397939.db2.gz SWDDEGQPUDOTFE-VXGBXAGGSA-N 2 0 239.363 0.537 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000067674772 636761101 /nfs/dbraw/zinc/76/11/01/636761101.db2.gz OCNLEWMAWNPQOZ-NSHDSACASA-N 2 0 225.336 0.150 20 0 BCADRP C[C@@H](CC(=O)NCC(C)(C)[NH3+])C1CC[NH2+]CC1 ZINC000237406326 636765133 /nfs/dbraw/zinc/76/51/33/636765133.db2.gz OANGXMPNEFRWMC-JTQLQIEISA-N 2 0 241.379 0.866 20 0 BCADRP CON1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000323056646 636893146 /nfs/dbraw/zinc/89/31/46/636893146.db2.gz JNRCWISAAWKVFE-UHFFFAOYSA-N 2 0 241.379 0.944 20 0 BCADRP CCO[C@H](C[NH2+][C@@H]1COCC1(C)C)CN(C)C ZINC000926964427 636977137 /nfs/dbraw/zinc/97/71/37/636977137.db2.gz RPVACPOHFLXHTK-VXGBXAGGSA-N 2 0 244.379 0.968 20 0 BCADRP Cn1cc(C[NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](C)C3)cn1 ZINC000924751489 637078194 /nfs/dbraw/zinc/07/81/94/637078194.db2.gz LBHCRZDYVQAZMH-FUNVUKJBSA-N 2 0 234.347 0.850 20 0 BCADRP C[C@H](O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902363911 637301483 /nfs/dbraw/zinc/30/14/83/637301483.db2.gz PGXAYNXRSRCPBG-UWVGGRQHSA-N 2 0 200.326 0.735 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH2+]CCCON)[C@@H](C)C1 ZINC000902419718 637303208 /nfs/dbraw/zinc/30/32/08/637303208.db2.gz JSCIXWHMNKCZPG-QWRGUYRKSA-N 2 0 215.341 0.587 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000903463615 637364562 /nfs/dbraw/zinc/36/45/62/637364562.db2.gz GWOSVXJNHWBYKN-NDBYEHHHSA-N 2 0 225.380 0.901 20 0 BCADRP OCC[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903722807 637380427 /nfs/dbraw/zinc/38/04/27/637380427.db2.gz DNOMIDBNHDILNZ-QWHCGFSZSA-N 2 0 240.347 0.212 20 0 BCADRP C[C@@H]1C[N@H+](Cc2ccn(C)n2)CC[C@@H]1C[NH3+] ZINC000903789615 637384070 /nfs/dbraw/zinc/38/40/70/637384070.db2.gz YMZKTABHRMIMSP-GHMZBOCLSA-N 2 0 222.336 0.837 20 0 BCADRP CCn1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)nn1 ZINC000903788863 637384498 /nfs/dbraw/zinc/38/44/98/637384498.db2.gz RTFQRLXYJABESV-MNOVXSKESA-N 2 0 237.351 0.715 20 0 BCADRP CC[N@H+](CCC(=O)NC)CC(C)(C)[NH3+] ZINC000904469444 637422940 /nfs/dbraw/zinc/42/29/40/637422940.db2.gz MKQSBCNOTSWRGY-UHFFFAOYSA-N 2 0 201.314 0.182 20 0 BCADRP C[C@@]1([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCNC1=O ZINC000904470491 637423304 /nfs/dbraw/zinc/42/33/04/637423304.db2.gz YCVZGUPGHVHINP-JAUFEGHXSA-N 2 0 237.347 0.385 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2COC[C@H]2C2CC2)C1 ZINC000904477307 637427856 /nfs/dbraw/zinc/42/78/56/637427856.db2.gz TZEIPIRXIITETQ-ZDDJMSTPSA-N 2 0 210.321 0.738 20 0 BCADRP C[NH+](C)CCCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905040376 637558236 /nfs/dbraw/zinc/55/82/36/637558236.db2.gz CWSGDJBAKJRVES-SNVBAGLBSA-N 2 0 244.408 0.948 20 0 BCADRP C[NH2+]C[C@H](C)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905318224 637743585 /nfs/dbraw/zinc/74/35/85/637743585.db2.gz NQDJRGSISNANTH-VIFPVBQESA-N 2 0 238.335 0.935 20 0 BCADRP C[NH2+][C@H](C)Cc1noc([C@@H]2C[NH2+]CC2(C)C)n1 ZINC000905305918 637764470 /nfs/dbraw/zinc/76/44/70/637764470.db2.gz ZYCLTCDEQMEMLP-BDAKNGLRSA-N 2 0 238.335 0.933 20 0 BCADRP OCCC1CC([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000905670504 637885323 /nfs/dbraw/zinc/88/53/23/637885323.db2.gz LKXGRPGKHHSSJF-BPCQOVAHSA-N 2 0 242.363 0.194 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000906091385 638048345 /nfs/dbraw/zinc/04/83/45/638048345.db2.gz FBNOQJRCJYOQOT-AXFHLTTASA-N 2 0 227.352 0.474 20 0 BCADRP CC(C)C[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000906097209 638053750 /nfs/dbraw/zinc/05/37/50/638053750.db2.gz MISBGPLCMRCVEX-NQBHXWOUSA-N 2 0 239.363 0.700 20 0 BCADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)c1cc(C[NH3+])ccn1 ZINC000906226522 638119432 /nfs/dbraw/zinc/11/94/32/638119432.db2.gz CNIFDISFLBFFDH-KOLCDFICSA-N 2 0 248.330 0.501 20 0 BCADRP CN(C(=O)[C@]1(C)CC[NH2+]C1)c1cc(C[NH3+])ccn1 ZINC000906228831 638121322 /nfs/dbraw/zinc/12/13/22/638121322.db2.gz JYKHIVWNCPWGCX-CYBMUJFWSA-N 2 0 248.330 0.503 20 0 BCADRP [NH3+]C1CC([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000906509910 638182524 /nfs/dbraw/zinc/18/25/24/638182524.db2.gz BNQCEZDKSIGFES-AWDSCPMSSA-N 3 0 209.337 0.596 20 0 BCADRP Cc1ccc(O)c(C[NH2+]C2CC([NH3+])C2)n1 ZINC000906510716 638183673 /nfs/dbraw/zinc/18/36/73/638183673.db2.gz RXFWPRXGNTUNOZ-UHFFFAOYSA-N 2 0 207.277 0.675 20 0 BCADRP Cc1nn(C)c2ncc(C[NH2+]C3CC([NH3+])C3)cc12 ZINC000906510109 638183758 /nfs/dbraw/zinc/18/37/58/638183758.db2.gz MVHIBRHKPCUDCN-UHFFFAOYSA-N 2 0 245.330 0.856 20 0 BCADRP [NH3+]C1CC([NH2+]Cc2ccccc2-n2cncn2)C1 ZINC000906510732 638184163 /nfs/dbraw/zinc/18/41/63/638184163.db2.gz SUKIWVQGMVDDAN-UHFFFAOYSA-N 2 0 243.314 0.847 20 0 BCADRP C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911620055 639683414 /nfs/dbraw/zinc/68/34/14/639683414.db2.gz PAKMFVOTARARCR-UWVGGRQHSA-N 2 0 236.319 0.538 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911622555 639685217 /nfs/dbraw/zinc/68/52/17/639685217.db2.gz IPPYYXUPDUNUDO-VHSXEESVSA-N 2 0 245.392 0.407 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000911624356 639686023 /nfs/dbraw/zinc/68/60/23/639686023.db2.gz RULHUTPFXHRHON-UWVGGRQHSA-N 2 0 227.352 0.700 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])C(=O)NCC[NH3+] ZINC000911628737 639687534 /nfs/dbraw/zinc/68/75/34/639687534.db2.gz BRWDLJPPTDUMOI-SNVBAGLBSA-N 2 0 201.314 0.072 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000911628277 639687545 /nfs/dbraw/zinc/68/75/45/639687545.db2.gz LMFKJGDGJIIKPZ-GXSJLCMTSA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])C(=O)NCC[NH3+] ZINC000911628736 639688090 /nfs/dbraw/zinc/68/80/90/639688090.db2.gz BRWDLJPPTDUMOI-JTQLQIEISA-N 2 0 201.314 0.072 20 0 BCADRP [NH3+]CCNC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12 ZINC000911629610 639689002 /nfs/dbraw/zinc/68/90/02/639689002.db2.gz KESYKGHWAVJRBM-HBNTYKKESA-N 2 0 225.336 0.230 20 0 BCADRP C[NH2+]C[C@@H]1CCCN(C(=O)C23CC(C2)C[NH2+]3)C1 ZINC000911630872 639691375 /nfs/dbraw/zinc/69/13/75/639691375.db2.gz VPGLGPGDDGDPJQ-ZBOXLXRLSA-N 2 0 237.347 0.196 20 0 BCADRP [NH3+]Cc1ccccc1C(=O)N1CCC(C[NH3+])CC1 ZINC000911670938 639696499 /nfs/dbraw/zinc/69/64/99/639696499.db2.gz RRGQEZFRVDOCFL-UHFFFAOYSA-N 2 0 247.342 0.956 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC000911670366 639697346 /nfs/dbraw/zinc/69/73/46/639697346.db2.gz KNPLWYDEBWSCFV-JQWIXIFHSA-N 2 0 241.379 0.947 20 0 BCADRP [NH3+]CC1CCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)CC1 ZINC000911669691 639697364 /nfs/dbraw/zinc/69/73/64/639697364.db2.gz ATQSKPRJRBVQIW-YPMHNXCESA-N 2 0 237.347 0.326 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N1CC[NH2+]CC1 ZINC000911647321 639702750 /nfs/dbraw/zinc/70/27/50/639702750.db2.gz ZZEMEVBEWABLIZ-JTQLQIEISA-N 2 0 213.325 0.182 20 0 BCADRP C[C@]1(C(=O)Nc2cccc(C[NH3+])c2)C[C@@H](O)C[NH2+]1 ZINC000911649536 639703462 /nfs/dbraw/zinc/70/34/62/639703462.db2.gz VCCWLLAFZOJVMV-DGCLKSJQSA-N 2 0 249.314 0.197 20 0 BCADRP [NH3+]CCCNC(=O)c1ccccc1C[NH3+] ZINC000911648624 639705463 /nfs/dbraw/zinc/70/54/63/639705463.db2.gz QQKMLHCELAJRMP-UHFFFAOYSA-N 2 0 207.277 0.224 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)C[C@@H]([NH3+])CC(C)C)C1 ZINC000911654821 639709137 /nfs/dbraw/zinc/70/91/37/639709137.db2.gz CSWKXTRCLNDOMF-QWRGUYRKSA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911652502 639709278 /nfs/dbraw/zinc/70/92/78/639709278.db2.gz UWDZUEDONHMGIC-MNOVXSKESA-N 2 0 225.336 0.419 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@](C)(C[NH3+])CC(C)C)C1 ZINC000911654941 639709802 /nfs/dbraw/zinc/70/98/02/639709802.db2.gz DKTCOTJJGLBTTG-WCQYABFASA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000911654933 639710459 /nfs/dbraw/zinc/71/04/59/639710459.db2.gz DFKFLDQQWPFLFW-RYUDHWBXSA-N 2 0 239.363 0.680 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000911654799 639710752 /nfs/dbraw/zinc/71/07/52/639710752.db2.gz BZSULMQZYQXRPG-GMTAPVOTSA-N 2 0 225.336 0.195 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000911655931 639712725 /nfs/dbraw/zinc/71/27/25/639712725.db2.gz LVJDXKLFVSLYAI-AXFHLTTASA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000911656367 639712986 /nfs/dbraw/zinc/71/29/86/639712986.db2.gz LVJDXKLFVSLYAI-GARJFASQSA-N 2 0 227.352 0.570 20 0 BCADRP O=C(N1CCC[NH2+]CC1)C12CCC(CC1)[NH2+]2 ZINC000911656299 639713121 /nfs/dbraw/zinc/71/31/21/639713121.db2.gz MXQQPQIUFUJDSP-UHFFFAOYSA-N 2 0 223.320 0.093 20 0 BCADRP C[NH2+][C@@H]1CCN(C(=O)CC(C)(C)C[NH3+])C1 ZINC000911656471 639713125 /nfs/dbraw/zinc/71/31/25/639713125.db2.gz OFWHDCOZTFEABW-SECBINFHSA-N 2 0 213.325 0.182 20 0 BCADRP [NH3+]CCCSCCC(=O)N[C@H]1CCC[NH2+]C1 ZINC000911674540 639714106 /nfs/dbraw/zinc/71/41/06/639714106.db2.gz UGCOYNGLHUAGIM-JTQLQIEISA-N 2 0 245.392 0.327 20 0 BCADRP [NH3+]C[C@@H]1C[C@@H]1C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000911676360 639717515 /nfs/dbraw/zinc/71/75/15/639717515.db2.gz HRWDIWWSHUOKEL-CABZTGNLSA-N 2 0 237.347 0.324 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NCCC[NH2+]C ZINC000911677809 639719502 /nfs/dbraw/zinc/71/95/02/639719502.db2.gz SVWVXEJVIMRNEO-VHSXEESVSA-N 2 0 215.341 0.476 20 0 BCADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CC1CC([NH3+])C1 ZINC000911685125 639723439 /nfs/dbraw/zinc/72/34/39/639723439.db2.gz SJFUHTQKOGGMPL-HBIQZDMRSA-N 2 0 239.363 0.842 20 0 BCADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CC1CC([NH3+])C1 ZINC000911685126 639725190 /nfs/dbraw/zinc/72/51/90/639725190.db2.gz SJFUHTQKOGGMPL-WNYYMSAVSA-N 2 0 239.363 0.842 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000911712391 639738236 /nfs/dbraw/zinc/73/82/36/639738236.db2.gz AVHFOQLACUDUPV-ILDUYXDCSA-N 2 0 225.336 0.324 20 0 BCADRP O=C(NC[C@@H]1CCCC[NH2+]1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911713857 639739708 /nfs/dbraw/zinc/73/97/08/639739708.db2.gz LFPNMGIWJQTTCD-GVXVVHGQSA-N 2 0 237.347 0.244 20 0 BCADRP C[NH2+]C1CC(C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000911713797 639739741 /nfs/dbraw/zinc/73/97/41/639739741.db2.gz LEMNWZAVMAKTHP-YVNMAJEFSA-N 2 0 225.336 0.243 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911722882 639746400 /nfs/dbraw/zinc/74/64/00/639746400.db2.gz VZKJCHNBFSMIRF-USZNOCQGSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)CC(C)(C)C[NH3+] ZINC000911723746 639748617 /nfs/dbraw/zinc/74/86/17/639748617.db2.gz GVKHRNLZRUNUCQ-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP C[C@H]1C[NH2+]CCN1C(=O)CCSCCC[NH3+] ZINC000911725577 639750859 /nfs/dbraw/zinc/75/08/59/639750859.db2.gz WZGCVNCKWDBXNQ-JTQLQIEISA-N 2 0 245.392 0.279 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000911725451 639750980 /nfs/dbraw/zinc/75/09/80/639750980.db2.gz UUOSCGQNCXCSDI-NWDGAFQWSA-N 2 0 239.363 0.680 20 0 BCADRP C[C@@H](NC(=O)CC(C)(C)C[NH3+])[C@H]1CCC[NH2+]C1 ZINC000911725033 639751530 /nfs/dbraw/zinc/75/15/30/639751530.db2.gz HNPGIYGCXGARJJ-MNOVXSKESA-N 2 0 241.379 0.866 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC000911705742 639757921 /nfs/dbraw/zinc/75/79/21/639757921.db2.gz BVYCLPVAPIIILV-WISYIIOYSA-N 2 0 237.347 0.039 20 0 BCADRP [NH3+][C@@H]1C[C@H](C(=O)NC[C@H]2CCC[NH2+]C2)[C@H]2C[C@H]21 ZINC000911707305 639759664 /nfs/dbraw/zinc/75/96/64/639759664.db2.gz LRVAYVLODFYQMS-HHHUOAJASA-N 2 0 237.347 0.086 20 0 BCADRP CC(C)(C[NH3+])CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911707783 639759994 /nfs/dbraw/zinc/75/99/94/639759994.db2.gz QPGMGROMWJKBQP-JTQLQIEISA-N 2 0 227.352 0.477 20 0 BCADRP [NH3+]C[C@@H]1CCCN(C(=O)C2=CCC[NH2+]CC2)C1 ZINC000911708605 639760104 /nfs/dbraw/zinc/76/01/04/639760104.db2.gz XIJUFUXYMXVCRY-NSHDSACASA-N 2 0 237.347 0.494 20 0 BCADRP O=C(NC[C@H]1CCC[NH2+]C1)C1=CCC[NH2+]CC1 ZINC000911706762 639760519 /nfs/dbraw/zinc/76/05/19/639760519.db2.gz IXRDKSWJWGSMAM-NSHDSACASA-N 2 0 237.347 0.412 20 0 BCADRP [NH3+]Cc1ccccc1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000911707177 639760537 /nfs/dbraw/zinc/76/05/37/639760537.db2.gz LJWIQLYVADVSPW-LLVKDONJSA-N 2 0 247.342 0.956 20 0 BCADRP C[NH2+]C1(C(=O)N2CCC[C@H](C[NH3+])C2)CCC1 ZINC000911707128 639760847 /nfs/dbraw/zinc/76/08/47/639760847.db2.gz KINSAHPJZGGDFK-SNVBAGLBSA-N 2 0 225.336 0.326 20 0 BCADRP [NH3+]C[C@H]1CCCN(C(=O)C2=CCC[NH2+]CC2)C1 ZINC000911708604 639761091 /nfs/dbraw/zinc/76/10/91/639761091.db2.gz XIJUFUXYMXVCRY-LLVKDONJSA-N 2 0 237.347 0.494 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000911708636 639761106 /nfs/dbraw/zinc/76/11/06/639761106.db2.gz XUIZCTWDTDSYOW-TUAOUCFPSA-N 2 0 241.379 0.947 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)C23CCC(CC2)[NH2+]3)C1 ZINC000911735402 639761876 /nfs/dbraw/zinc/76/18/76/639761876.db2.gz BBLNATCRGHLQJR-AKJDGMEZSA-N 2 0 237.347 0.481 20 0 BCADRP C[NH2+][C@H]1CCCN(C(=O)CC(C)(C)C[NH3+])C1 ZINC000911736009 639762047 /nfs/dbraw/zinc/76/20/47/639762047.db2.gz FXCIIULTIRSQQT-JTQLQIEISA-N 2 0 227.352 0.572 20 0 BCADRP C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2C[NH3+])C1 ZINC000911736565 639762194 /nfs/dbraw/zinc/76/21/94/639762194.db2.gz LWFQJAGXNPSNOY-GFCCVEGCSA-N 2 0 247.342 0.969 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911737918 639764458 /nfs/dbraw/zinc/76/44/58/639764458.db2.gz FDNOHSHFTDKNMD-WCQYABFASA-N 2 0 241.379 0.805 20 0 BCADRP CC(C)(C[NH3+])CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911738891 639765138 /nfs/dbraw/zinc/76/51/38/639765138.db2.gz NJTVITIFCRSEDR-VIFPVBQESA-N 2 0 213.325 0.169 20 0 BCADRP C[NH2+]CCNC(=O)c1ccccc1C[NH3+] ZINC000911746676 639771203 /nfs/dbraw/zinc/77/12/03/639771203.db2.gz WBHZRNVJRXQOKK-UHFFFAOYSA-N 2 0 207.277 0.095 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)NCC[C@H](C)[NH3+] ZINC000911744028 639771563 /nfs/dbraw/zinc/77/15/63/639771563.db2.gz GIWNKSWABPVFFQ-UWVGGRQHSA-N 2 0 215.341 0.603 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000911747375 639773130 /nfs/dbraw/zinc/77/31/30/639773130.db2.gz FVNCWNJDJMEAOE-TUAOUCFPSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H](C[NH3+])C1CCCCCC1 ZINC000911748350 639773619 /nfs/dbraw/zinc/77/36/19/639773619.db2.gz LQQUHSPPXFFQSO-LBPRGKRZSA-N 2 0 241.379 0.867 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000911747373 639773801 /nfs/dbraw/zinc/77/38/01/639773801.db2.gz FVNCWNJDJMEAOE-SRVKXCTJSA-N 2 0 239.363 0.633 20 0 BCADRP C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000911747379 639773813 /nfs/dbraw/zinc/77/38/13/639773813.db2.gz FVNCWNJDJMEAOE-WOPDTQHZSA-N 2 0 239.363 0.633 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911751561 639779159 /nfs/dbraw/zinc/77/91/59/639779159.db2.gz MDZLPPVWHWGADO-AXFHLTTASA-N 2 0 227.352 0.618 20 0 BCADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000911751547 639779375 /nfs/dbraw/zinc/77/93/75/639779375.db2.gz LSXYKROFGMBJMH-ZJUUUORDSA-N 2 0 227.352 0.618 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000911752111 639779860 /nfs/dbraw/zinc/77/98/60/639779860.db2.gz JZXKVEZGVDZCTP-ONGXEEELSA-N 2 0 227.352 0.618 20 0 BCADRP C[C@H]([NH3+])C1CCN(C(=O)C23CC(C2)C[NH2+]3)CC1 ZINC000911752799 639781277 /nfs/dbraw/zinc/78/12/77/639781277.db2.gz GTHLBVXFQDKTCW-JBLZRFIASA-N 2 0 237.347 0.324 20 0 BCADRP O=C(NCC[NH2+]C1CC1)C12CCC(CC1)[NH2+]2 ZINC000911752942 639782114 /nfs/dbraw/zinc/78/21/14/639782114.db2.gz USSVULUNACXQQW-UHFFFAOYSA-N 2 0 223.320 0.139 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911754478 639784262 /nfs/dbraw/zinc/78/42/62/639784262.db2.gz MKYZPSUBMDMPJM-AAEUAGOBSA-N 2 0 241.379 0.866 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000911731373 639785977 /nfs/dbraw/zinc/78/59/77/639785977.db2.gz UWDZUEDONHMGIC-WDEREUQCSA-N 2 0 225.336 0.419 20 0 BCADRP C[NH2+]C1(C(=O)NCCC[NH2+]C(C)C)CCC1 ZINC000911763798 639791044 /nfs/dbraw/zinc/79/10/44/639791044.db2.gz LRXVBVUDJOBIRD-UHFFFAOYSA-N 2 0 227.352 0.633 20 0 BCADRP C[NH2+]C1CC(C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000911764349 639791807 /nfs/dbraw/zinc/79/18/07/639791807.db2.gz MLXRHOPNPOLJOE-WXRRBKDZSA-N 2 0 247.342 0.801 20 0 BCADRP O=C(NCC[C@@H]1CC[NH2+]C1)C1=CCC[NH2+]CC1 ZINC000911766029 639791958 /nfs/dbraw/zinc/79/19/58/639791958.db2.gz DQDTZNBBAJCQNX-NSHDSACASA-N 2 0 237.347 0.412 20 0 BCADRP C[NH2+]C1(C(=O)NC[C@@H]([NH3+])c2ccccc2)CCC1 ZINC000911765445 639792234 /nfs/dbraw/zinc/79/22/34/639792234.db2.gz VAMRPFQQGJWOIF-GFCCVEGCSA-N 2 0 247.342 0.945 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911767999 639793056 /nfs/dbraw/zinc/79/30/56/639793056.db2.gz NXIKFVIGBWYXHZ-QJPTWQEYSA-N 2 0 241.379 0.866 20 0 BCADRP C[NH2+]C1CC(C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000911766614 639794173 /nfs/dbraw/zinc/79/41/73/639794173.db2.gz GLZZUALMZJDSQS-KPPDAEKUSA-N 2 0 225.336 0.100 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000911774103 639795564 /nfs/dbraw/zinc/79/55/64/639795564.db2.gz IFCUNFZJRZWKCL-JTQLQIEISA-N 2 0 225.336 0.149 20 0 BCADRP C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]([NH3+])C(C)(C)C)C1 ZINC000911774754 639795954 /nfs/dbraw/zinc/79/59/54/639795954.db2.gz MRSMPOYFHZZJIU-WDEREUQCSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]C[C@H]1CCN(C(=O)C2([NH2+]C)CCC2)C1 ZINC000911773252 639795962 /nfs/dbraw/zinc/79/59/62/639795962.db2.gz BYHHSADFPBDKAW-SNVBAGLBSA-N 2 0 225.336 0.196 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000911773082 639796114 /nfs/dbraw/zinc/79/61/14/639796114.db2.gz AKIGAAKHYAYZSL-QJPTWQEYSA-N 2 0 241.379 0.818 20 0 BCADRP C[NH2+]CC1CCN(C(=O)C2CC([NH2+]C)C2)CC1 ZINC000911778312 639797932 /nfs/dbraw/zinc/79/79/32/639797932.db2.gz QSOXWBSLRXMNJE-UHFFFAOYSA-N 2 0 239.363 0.442 20 0 BCADRP CN(C(=O)CC(C)(C)C[NH3+])[C@H]1CC[NH2+]C1 ZINC000911788371 639805049 /nfs/dbraw/zinc/80/50/49/639805049.db2.gz PUXJGZUFMJWZHJ-VIFPVBQESA-N 2 0 213.325 0.182 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911786795 639805330 /nfs/dbraw/zinc/80/53/30/639805330.db2.gz FARSIUBDIXBHPM-UWVGGRQHSA-N 2 0 245.392 0.277 20 0 BCADRP CN(C(=O)CCSCCC[NH3+])[C@H]1CC[NH2+]C1 ZINC000911787701 639805529 /nfs/dbraw/zinc/80/55/29/639805529.db2.gz KIFYCNBOATVLIY-JTQLQIEISA-N 2 0 245.392 0.279 20 0 BCADRP CN(C(=O)C[C@@H]([NH3+])C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000911787166 639805870 /nfs/dbraw/zinc/80/58/70/639805870.db2.gz HUBUMADTYWBSLQ-NXEZZACHSA-N 2 0 227.352 0.570 20 0 BCADRP C[NH2+]C1(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CCC1 ZINC000911793884 639806973 /nfs/dbraw/zinc/80/69/73/639806973.db2.gz DNOMTDVEQRQVCK-UWVGGRQHSA-N 2 0 225.336 0.337 20 0 BCADRP CN(C(=O)[C@@H]1CCCC[C@@H]1[NH3+])[C@@H]1CC[NH2+]C1 ZINC000911789265 639807382 /nfs/dbraw/zinc/80/73/82/639807382.db2.gz UUHJMGHMLHRJLM-MXWKQRLJSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911789848 639808115 /nfs/dbraw/zinc/80/81/15/639808115.db2.gz XCJBZMHOOGKIAH-MXWKQRLJSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@H](O)[C@@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000930600734 639816688 /nfs/dbraw/zinc/81/66/88/639816688.db2.gz AOXFBZVVUUFICA-AVGNSLFASA-N 2 0 242.363 0.146 20 0 BCADRP C[C@@H]1C[C@H](C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC[NH2+]1 ZINC000911797041 639818655 /nfs/dbraw/zinc/81/86/55/639818655.db2.gz QCKLXNSMSTZRJT-WISYIIOYSA-N 2 0 239.363 0.583 20 0 BCADRP C[C@H]1CN(C(=O)C2=CCC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000911796602 639818728 /nfs/dbraw/zinc/81/87/28/639818728.db2.gz NPSHXORPGLVPTE-QWRGUYRKSA-N 2 0 237.347 0.505 20 0 BCADRP C[NH2+]CCCCC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000911799495 639820718 /nfs/dbraw/zinc/82/07/18/639820718.db2.gz YXDQWFPNYCTZTB-GHMZBOCLSA-N 2 0 227.352 0.585 20 0 BCADRP [NH3+]CC1(NC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CCCC1 ZINC000911801139 639822248 /nfs/dbraw/zinc/82/22/48/639822248.db2.gz ZYHGUQLBFTXSRR-YTWAJWBKSA-N 2 0 237.347 0.357 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)CC1CC([NH3+])C1 ZINC000911800509 639822268 /nfs/dbraw/zinc/82/22/68/639822268.db2.gz UAJGRKFJXFXUQV-UHFFFAOYSA-N 2 0 227.352 0.748 20 0 BCADRP C[NH2+]CCCCC(=O)NC1(C[NH3+])CCCC1 ZINC000911799967 639822794 /nfs/dbraw/zinc/82/27/94/639822794.db2.gz MRGACOZMXBODIY-UHFFFAOYSA-N 2 0 227.352 0.764 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911801645 639824718 /nfs/dbraw/zinc/82/47/18/639824718.db2.gz FJRQUYNXJPMFBE-GAFUQQFSSA-N 2 0 241.379 0.994 20 0 BCADRP C[NH2+]CCCCC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000911801663 639824904 /nfs/dbraw/zinc/82/49/04/639824904.db2.gz FRBLUHFYAJYGSO-JTQLQIEISA-N 2 0 213.325 0.196 20 0 BCADRP CC(C)C[C@H]([NH3+])CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911803323 639826426 /nfs/dbraw/zinc/82/64/26/639826426.db2.gz QJUCXPPDIWAAGN-AAEUAGOBSA-N 2 0 241.379 0.994 20 0 BCADRP CSCC[C@H]([NH3+])CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000911808924 639829016 /nfs/dbraw/zinc/82/90/16/639829016.db2.gz GJBNQRBWVNNWOW-UWVGGRQHSA-N 2 0 245.392 0.277 20 0 BCADRP C[C@H]1CN(C(=O)C[C@H]([NH3+])C(C)(C)C)CC[NH2+]1 ZINC000911810038 639831257 /nfs/dbraw/zinc/83/12/57/639831257.db2.gz KQCOMRLTMIBCOU-UWVGGRQHSA-N 2 0 227.352 0.570 20 0 BCADRP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000911810886 639833460 /nfs/dbraw/zinc/83/34/60/639833460.db2.gz NJRHYWWKCYJEFE-HBNTYKKESA-N 2 0 227.352 0.570 20 0 BCADRP CC(C)C[C@@H]([NH3+])CC(=O)N(C)[C@H](C)C[NH3+] ZINC000911812790 639834494 /nfs/dbraw/zinc/83/44/94/639834494.db2.gz JBMJUKMLCYJRQM-NXEZZACHSA-N 2 0 215.341 0.556 20 0 BCADRP C[C@@H]1CN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)CC[C@@H]1[NH3+] ZINC000911821858 639835642 /nfs/dbraw/zinc/83/56/42/639835642.db2.gz VPVVIZZOMRGCGA-BLFANLJRSA-N 2 0 237.347 0.182 20 0 BCADRP C[C@H]1CN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)CC[C@@H]1[NH3+] ZINC000911821866 639836329 /nfs/dbraw/zinc/83/63/29/639836329.db2.gz VPVVIZZOMRGCGA-ZPFDUUQYSA-N 2 0 237.347 0.182 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911824505 639837711 /nfs/dbraw/zinc/83/77/11/639837711.db2.gz DHUQJQFYTCZCPM-NZHYYXIDSA-N 2 0 225.336 0.069 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000911827089 639838878 /nfs/dbraw/zinc/83/88/78/639838878.db2.gz RSYICSLDVWURHM-NXEZZACHSA-N 2 0 229.368 0.849 20 0 BCADRP CC(C)[C@H]([NH3+])CNC(=O)C1([NH+](C)C)CC1 ZINC000911826502 639839007 /nfs/dbraw/zinc/83/90/07/639839007.db2.gz OIJVIOZRSDADHH-SECBINFHSA-N 2 0 213.325 0.180 20 0 BCADRP C[C@H]1CN(C(=O)C23CCC(CC2)[NH2+]3)CC[C@H]1[NH3+] ZINC000911827974 639839398 /nfs/dbraw/zinc/83/93/98/639839398.db2.gz YMQSCNOXNWYXLQ-MSLYCWSTSA-N 2 0 237.347 0.467 20 0 BCADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000911829996 639841301 /nfs/dbraw/zinc/84/13/01/639841301.db2.gz NEXFBSZTCNGFPB-MXWKQRLJSA-N 2 0 227.352 0.474 20 0 BCADRP C[C@@H]1C[C@H](C(=O)N[C@@H](C[NH3+])C2CC2)CC[NH2+]1 ZINC000911831686 639842288 /nfs/dbraw/zinc/84/22/88/639842288.db2.gz CRPMCLPSLXWSRC-IEBDPFPHSA-N 2 0 225.336 0.228 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CC(C)(C)C[NH3+] ZINC000911832002 639844163 /nfs/dbraw/zinc/84/41/63/639844163.db2.gz MSZLXJBYFADQQL-GFCCVEGCSA-N 2 0 229.368 0.851 20 0 BCADRP CC(C)C[C@](C)(C[NH3+])NC(=O)CC1CC([NH3+])C1 ZINC000911833672 639845942 /nfs/dbraw/zinc/84/59/42/639845942.db2.gz ZQHVITNIZITNFG-GCZXYKMCSA-N 2 0 241.379 0.994 20 0 BCADRP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000911834310 639845949 /nfs/dbraw/zinc/84/59/49/639845949.db2.gz POLGNGAIQVSEIP-NXEZZACHSA-N 2 0 227.352 0.603 20 0 BCADRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000911836583 639847073 /nfs/dbraw/zinc/84/70/73/639847073.db2.gz POGFNGWDTATJSN-KKZNHRDASA-N 2 0 213.325 0.071 20 0 BCADRP C[NH2+]C1CC(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000911816636 639848379 /nfs/dbraw/zinc/84/83/79/639848379.db2.gz CQIZYHNXUGDZLY-AGVGLQIMSA-N 2 0 225.336 0.180 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000911816566 639848664 /nfs/dbraw/zinc/84/86/64/639848664.db2.gz BVZZNIVBHRMSNA-YFKTTZPYSA-N 2 0 241.379 0.946 20 0 BCADRP C[C@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000911818651 639849583 /nfs/dbraw/zinc/84/95/83/639849583.db2.gz ANXMEAFKNLQUKY-JBLDHEPKSA-N 2 0 225.336 0.324 20 0 BCADRP C[C@H]1CN(C(=O)C2=CCC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000911818402 639850383 /nfs/dbraw/zinc/85/03/83/639850383.db2.gz MLJFPKZXEJJTIR-JQWIXIFHSA-N 2 0 237.347 0.492 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911865732 639851841 /nfs/dbraw/zinc/85/18/41/639851841.db2.gz VYIKQOBVAJYTRH-OUAUKWLOSA-N 2 0 239.363 0.285 20 0 BCADRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])CC(C)C ZINC000911868459 639853557 /nfs/dbraw/zinc/85/35/57/639853557.db2.gz PWNUEXLCHHAPPD-RYUDHWBXSA-N 2 0 241.379 0.960 20 0 BCADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000911869077 639853809 /nfs/dbraw/zinc/85/38/09/639853809.db2.gz WDKXVJBRMDDRPT-MNOVXSKESA-N 2 0 241.379 0.947 20 0 BCADRP CC(C)C[C@@](C)(C[NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000911846077 639854721 /nfs/dbraw/zinc/85/47/21/639854721.db2.gz MCDZCSMMTCMSIR-LBPRGKRZSA-N 2 0 229.368 0.851 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000911845143 639855409 /nfs/dbraw/zinc/85/54/09/639855409.db2.gz HLPYJKGEYROCPU-SNVBAGLBSA-N 2 0 227.352 0.713 20 0 BCADRP CC1(C)C[NH2+]CCN1C(=O)C1=CCC[NH2+]CC1 ZINC000911847188 639856106 /nfs/dbraw/zinc/85/61/06/639856106.db2.gz LZEYRCAZULTSDZ-UHFFFAOYSA-N 2 0 237.347 0.507 20 0 BCADRP CC[C@H](C)C[C@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000911847436 639856275 /nfs/dbraw/zinc/85/62/75/639856275.db2.gz WPLOEAXKKGQRQQ-IUCAKERBSA-N 2 0 215.341 0.603 20 0 BCADRP C[NH2+]CCCCC(=O)NCC(C)(C)[NH3+] ZINC000911846484 639856315 /nfs/dbraw/zinc/85/63/15/639856315.db2.gz HGFIJHJQMACKLI-UHFFFAOYSA-N 2 0 201.314 0.230 20 0 BCADRP CC[C@@H](C)C[C@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000911847434 639856556 /nfs/dbraw/zinc/85/65/56/639856556.db2.gz WPLOEAXKKGQRQQ-BDAKNGLRSA-N 2 0 215.341 0.603 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CC[NH2+]CC1(C)C ZINC000911848358 639858438 /nfs/dbraw/zinc/85/84/38/639858438.db2.gz SHHKMTWUBWJLBU-GHMZBOCLSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH2+]C1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000911853099 639860135 /nfs/dbraw/zinc/86/01/35/639860135.db2.gz WSPYPDGNHNQQFX-MNOVXSKESA-N 2 0 237.347 0.481 20 0 BCADRP CC(C)(C[NH3+])CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911856355 639860646 /nfs/dbraw/zinc/86/06/46/639860646.db2.gz MPHBEZHTQIPFOL-MNOVXSKESA-N 2 0 239.363 0.714 20 0 BCADRP CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911857945 639862339 /nfs/dbraw/zinc/86/23/39/639862339.db2.gz XZWHWPUJSGPWTF-YTWAJWBKSA-N 2 0 239.363 0.603 20 0 BCADRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911882291 639867049 /nfs/dbraw/zinc/86/70/49/639867049.db2.gz VDLOWZSFRQYTSJ-NNYUYHANSA-N 2 0 239.363 0.761 20 0 BCADRP CCCC[C@H](C[NH3+])NC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911882215 639867454 /nfs/dbraw/zinc/86/74/54/639867454.db2.gz TVTPJUNYSCSMTE-WZRBSPASSA-N 2 0 239.363 0.762 20 0 BCADRP O=C(C[NH+]1CCCC1)N1CC([NH+]2CCCC2)C1 ZINC000912325210 640030236 /nfs/dbraw/zinc/03/02/36/640030236.db2.gz RYORCQLAWOBXNI-UHFFFAOYSA-N 2 0 237.347 0.389 20 0 BCADRP C[C@@H](C(=O)N[C@]1(C)C[NH+]2CCC1CC2)[NH+](C)C ZINC000912375486 640047129 /nfs/dbraw/zinc/04/71/29/640047129.db2.gz XEIBTKUWWMTCPV-GXFFZTMASA-N 2 0 239.363 0.537 20 0 BCADRP [NH3+][C@H]1CC[C@H]([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000912505358 640099111 /nfs/dbraw/zinc/09/91/11/640099111.db2.gz CLNRQCUXSXKGCU-HAQNSBGRSA-N 3 0 211.353 0.846 20 0 BCADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC000931440674 640205618 /nfs/dbraw/zinc/20/56/18/640205618.db2.gz WKWFSFLALIRRHK-WOPDTQHZSA-N 2 0 237.347 0.149 20 0 BCADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912912075 640235313 /nfs/dbraw/zinc/23/53/13/640235313.db2.gz VZEVPXRTEHGQNV-GFCCVEGCSA-N 2 0 237.347 0.389 20 0 BCADRP COCC(COC)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000931548314 640268408 /nfs/dbraw/zinc/26/84/08/640268408.db2.gz IEESKNSQAJRMGQ-YPMHNXCESA-N 2 0 242.363 0.674 20 0 BCADRP C[NH+]1CCC(C[NH2+]CCCCO)CC1 ZINC000044518053 640399727 /nfs/dbraw/zinc/39/97/27/640399727.db2.gz SRHHDDHYFIOVFQ-UHFFFAOYSA-N 2 0 200.326 0.690 20 0 BCADRP C[NH+]1CCC(C[NH2+]Cc2ncc[nH]2)CC1 ZINC000044517152 640400024 /nfs/dbraw/zinc/40/00/24/640400024.db2.gz TULUCQMFYWDOHB-UHFFFAOYSA-N 2 0 208.309 0.841 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156349889 640436557 /nfs/dbraw/zinc/43/65/57/640436557.db2.gz NBQQTYNYGSKULV-AXFHLTTASA-N 2 0 216.325 0.066 20 0 BCADRP CC[NH2+]CC(=O)NCC[NH+](C(C)C)C(C)C ZINC000044646628 640444987 /nfs/dbraw/zinc/44/49/87/640444987.db2.gz HFSONNUAQHGWCY-UHFFFAOYSA-N 2 0 229.368 0.831 20 0 BCADRP CC[NH2+]CC(=O)NCCC[NH+]1CCCCC1 ZINC000044646923 640445778 /nfs/dbraw/zinc/44/57/78/640445778.db2.gz OXPJLHUHHXXXOS-UHFFFAOYSA-N 2 0 227.352 0.588 20 0 BCADRP CCCC[NH+]1CCC(NC(=O)C[NH2+]CC)CC1 ZINC000044647809 640446619 /nfs/dbraw/zinc/44/66/19/640446619.db2.gz MJKYQHYZPNGEIM-UHFFFAOYSA-N 2 0 241.379 0.977 20 0 BCADRP CC[NH2+]CC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000044651174 640447639 /nfs/dbraw/zinc/44/76/39/640447639.db2.gz IWKFRNVTSGSZKB-LLVKDONJSA-N 2 0 227.352 0.442 20 0 BCADRP CC[NH2+]CC(=O)NCc1ccccc1C[NH+](C)C ZINC000044651395 640448711 /nfs/dbraw/zinc/44/87/11/640448711.db2.gz GANJBVUFLNBFLI-UHFFFAOYSA-N 2 0 249.358 0.974 20 0 BCADRP C[C@H](CNC(=O)c1cccc(C[NH3+])c1)[NH+](C)C ZINC000045093761 640500475 /nfs/dbraw/zinc/50/04/75/640500475.db2.gz STAAVDPKZWMOBW-SNVBAGLBSA-N 2 0 235.331 0.825 20 0 BCADRP CC1(C)[C@H](C(=O)NCCC[NH2+]C2CC2)C[C@@H]1[NH3+] ZINC000876939451 640588329 /nfs/dbraw/zinc/58/83/29/640588329.db2.gz ZGCZWSYNPXYGDV-QWRGUYRKSA-N 2 0 239.363 0.618 20 0 BCADRP O=C1C[N@H+](CCC2CC[NH2+]CC2)CCCN1 ZINC000157617132 640695808 /nfs/dbraw/zinc/69/58/08/640695808.db2.gz JHAFMJPZNPFXOX-UHFFFAOYSA-N 2 0 225.336 0.198 20 0 BCADRP C[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225891940 640712379 /nfs/dbraw/zinc/71/23/79/640712379.db2.gz MRFTYXKMWQVWNS-TUAOUCFPSA-N 2 0 212.337 0.831 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](O)CC(C)C ZINC000226076665 640727995 /nfs/dbraw/zinc/72/79/95/640727995.db2.gz IBDBPQBACFBPOF-RYUDHWBXSA-N 2 0 232.368 0.737 20 0 BCADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000877102726 640748684 /nfs/dbraw/zinc/74/86/84/640748684.db2.gz MUXHIHRTNAGUFY-MFKMUULPSA-N 2 0 235.331 0.666 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000226399509 640760355 /nfs/dbraw/zinc/76/03/55/640760355.db2.gz JMOQNJYSCPWOTJ-BDAKNGLRSA-N 2 0 213.325 0.323 20 0 BCADRP CC[N@H+](CCNC(=O)C[C@@H](C)[NH3+])C1CC1 ZINC000226398112 640760413 /nfs/dbraw/zinc/76/04/13/640760413.db2.gz HMEZVOKSHNFCRV-SECBINFHSA-N 2 0 213.325 0.324 20 0 BCADRP O[C@H](C[NH2+][C@@H]1CCN2CCCC[C@@H]12)C1CC1 ZINC000227915094 640854025 /nfs/dbraw/zinc/85/40/25/640854025.db2.gz VYKKFQFUNNOQQK-FRRDWIJNSA-N 2 0 224.348 0.974 20 0 BCADRP CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000228531248 640878796 /nfs/dbraw/zinc/87/87/96/640878796.db2.gz BDBSWYVFPIZQOV-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCOC3=O)C[C@H]21 ZINC000228544689 640879833 /nfs/dbraw/zinc/87/98/33/640879833.db2.gz BYXUVDIVVTWQJG-GWOFURMSSA-N 2 0 224.304 0.361 20 0 BCADRP CCN(CC)C(=O)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000228792440 640895038 /nfs/dbraw/zinc/89/50/38/640895038.db2.gz JXYAQWVCBCETLG-NEPJUHHUSA-N 2 0 241.379 0.962 20 0 BCADRP C[C@H](C[NH2+]CCS(C)(=O)=O)CN1CCCC1 ZINC000062071075 641020186 /nfs/dbraw/zinc/02/01/86/641020186.db2.gz OMYSMHUUHMQJMT-LLVKDONJSA-N 2 0 248.392 0.353 20 0 BCADRP Cn1nccc1CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000230772646 641094002 /nfs/dbraw/zinc/09/40/02/641094002.db2.gz OXUNMHZFNFEIOW-WDEREUQCSA-N 2 0 222.336 0.822 20 0 BCADRP C[C@H](O)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063121316 641134329 /nfs/dbraw/zinc/13/43/29/641134329.db2.gz KLQVBDPJFVJQGQ-JTQLQIEISA-N 2 0 200.326 0.641 20 0 BCADRP C[C@H](O)[C@@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000929703803 641406825 /nfs/dbraw/zinc/40/68/25/641406825.db2.gz UPTIGGGAWNPIFD-SRVKXCTJSA-N 2 0 230.352 0.002 20 0 BCADRP C[C@H](O)[C@@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000929703805 641407618 /nfs/dbraw/zinc/40/76/18/641407618.db2.gz UPTIGGGAWNPIFD-TUAOUCFPSA-N 2 0 230.352 0.002 20 0 BCADRP C[NH+]1CCC(C(=O)NC23CC[NH+](CC2)C3)CC1 ZINC000913631508 641429047 /nfs/dbraw/zinc/42/90/47/641429047.db2.gz YEXVTHDQVSTZBW-UHFFFAOYSA-N 2 0 237.347 0.293 20 0 BCADRP CC(C)[C@H](C(=O)NC12CC[NH+](CC1)C2)[NH+](C)C ZINC000913629811 641433461 /nfs/dbraw/zinc/43/34/61/641433461.db2.gz NPZCHIWXQCXSTC-LLVKDONJSA-N 2 0 239.363 0.537 20 0 BCADRP O=C(NC12CC[NH+](CC1)C2)C12CC[NH+](CC1)C2 ZINC000913636804 641439090 /nfs/dbraw/zinc/43/90/90/641439090.db2.gz VJXDFKMBXCRJMM-UHFFFAOYSA-N 2 0 235.331 0.047 20 0 BCADRP [NH3+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000041138947 641542262 /nfs/dbraw/zinc/54/22/62/641542262.db2.gz ANHRWKMOXTWNEK-UHFFFAOYSA-N 2 0 205.305 0.551 20 0 BCADRP CC[C@H](C(N)=O)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714440354 711505762 /nfs/dbraw/zinc/50/57/62/711505762.db2.gz SVWYHDOHACVSDO-LLVKDONJSA-N 2 0 241.379 0.947 20 0 BCADRP CC[NH+]1CCC(N(C)C(=O)CC[NH2+]C)CC1 ZINC000043600119 641567651 /nfs/dbraw/zinc/56/76/51/641567651.db2.gz GFHJGOBQHCYXNA-UHFFFAOYSA-N 2 0 227.352 0.539 20 0 BCADRP COC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156104059 641594876 /nfs/dbraw/zinc/59/48/76/641594876.db2.gz JVLXHWZWFXBPOR-UTUOFQBUSA-N 2 0 228.336 0.210 20 0 BCADRP C[N@@H+]1CCC[C@@H](CNC(=O)CCCCC[NH3+])C1 ZINC000044538793 641605811 /nfs/dbraw/zinc/60/58/11/641605811.db2.gz YINDNJDQXBLLOU-LBPRGKRZSA-N 2 0 241.379 0.964 20 0 BCADRP [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000158373040 641633158 /nfs/dbraw/zinc/63/31/58/641633158.db2.gz JBDVMTZAHWDHJL-AXFHLTTASA-N 2 0 225.336 0.454 20 0 BCADRP COC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000225468769 641710165 /nfs/dbraw/zinc/71/01/65/641710165.db2.gz ITYHMKRSPRLNGQ-GMTAPVOTSA-N 2 0 216.325 0.053 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000225865718 641712348 /nfs/dbraw/zinc/71/23/48/641712348.db2.gz CISVCRYDICWQSD-QWRGUYRKSA-N 2 0 216.325 0.055 20 0 BCADRP [NH3+][C@H](C(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000032021359 641713458 /nfs/dbraw/zinc/71/34/58/641713458.db2.gz OCDKKYVAVYYFFQ-NSHDSACASA-N 2 0 219.288 0.118 20 0 BCADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])C[C@H](C)[NH2+]1 ZINC000153973547 641935155 /nfs/dbraw/zinc/93/51/55/641935155.db2.gz BKRZCLGVQLVQEJ-KXNHARMFSA-N 2 0 239.363 0.713 20 0 BCADRP C[NH+](C)CC(C)(C)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925433177 642002633 /nfs/dbraw/zinc/00/26/33/642002633.db2.gz WOIVUTNSUOJIFV-SNVBAGLBSA-N 2 0 242.367 0.330 20 0 BCADRP CC(C)C[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001031384659 642049946 /nfs/dbraw/zinc/04/99/46/642049946.db2.gz IKUNYDRKZXXQGS-LLVKDONJSA-N 2 0 239.363 0.395 20 0 BCADRP CCC(CC)(C[NH3+])NC(=O)[C@@H](C)C[NH2+]C ZINC000154471059 642101538 /nfs/dbraw/zinc/10/15/38/642101538.db2.gz HJFMHAUIEXSHFL-VIFPVBQESA-N 2 0 215.341 0.476 20 0 BCADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CO)[C@@H](C)C1 ZINC000930001215 642139210 /nfs/dbraw/zinc/13/92/10/642139210.db2.gz SCIZLDVEADZFJO-SRVKXCTJSA-N 2 0 230.352 0.002 20 0 BCADRP C[NH+](C)CCNC(=S)N[C@H]1CCC[N@H+](C)C1 ZINC000918720102 642257568 /nfs/dbraw/zinc/25/75/68/642257568.db2.gz SNCMURBJHBPGKZ-JTQLQIEISA-N 2 0 244.408 0.106 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307940713 642350023 /nfs/dbraw/zinc/35/00/23/642350023.db2.gz NHKYRKWJFFPSFR-XHNCKOQMSA-N 2 0 240.269 0.969 20 0 BCADRP CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001021893449 642438911 /nfs/dbraw/zinc/43/89/11/642438911.db2.gz BFQQTCPVKABHKH-GRYCIOLGSA-N 2 0 239.363 0.727 20 0 BCADRP CCO[C@H]1C[C@@H]([NH2+]CC2C[NH2+]C2)C1(C)C ZINC000233770282 642694722 /nfs/dbraw/zinc/69/47/22/642694722.db2.gz FVODGPPAXXBNJI-MNOVXSKESA-N 2 0 212.337 0.999 20 0 BCADRP CC(C)CNC(=[NH2+])NC[C@@H]1C[N@H+](C)CCN1C ZINC000068808949 642802154 /nfs/dbraw/zinc/80/21/54/642802154.db2.gz XLRKMFULWHGXLB-LLVKDONJSA-N 2 0 241.383 0.002 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000967923936 642805156 /nfs/dbraw/zinc/80/51/56/642805156.db2.gz CJVBALHJRRXTKT-GHMZBOCLSA-N 2 0 225.336 0.291 20 0 BCADRP CCOC[C@@H](O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000068953562 642814941 /nfs/dbraw/zinc/81/49/41/642814941.db2.gz CJMPNRPANVPFMF-LBPRGKRZSA-N 2 0 230.352 0.315 20 0 BCADRP COC[C@@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000069054639 642820423 /nfs/dbraw/zinc/82/04/23/642820423.db2.gz VUJDHCPYSQHRNC-STQMWFEESA-N 2 0 242.363 0.458 20 0 BCADRP OC[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000238713252 642832213 /nfs/dbraw/zinc/83/22/13/642832213.db2.gz UQSBAUOFSIBDTN-RYUDHWBXSA-N 2 0 212.337 0.833 20 0 BCADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000252208577 642887967 /nfs/dbraw/zinc/88/79/67/642887967.db2.gz XPPADZHVTXIMON-WOPDTQHZSA-N 2 0 211.353 0.763 20 0 BCADRP CC[C@H](O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000069729945 642898091 /nfs/dbraw/zinc/89/80/91/642898091.db2.gz CDLUBMIOWDYFGC-NSHDSACASA-N 2 0 200.326 0.818 20 0 BCADRP C[C@@H]([NH3+])CCC(=O)NCC[NH+]1CCCC1 ZINC000069839156 642921891 /nfs/dbraw/zinc/92/18/91/642921891.db2.gz WXENDHAGZVTJMW-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP CN(CC1OCCO1)C[C@H]1CCC[N@H+](C)C1 ZINC000182343132 642999183 /nfs/dbraw/zinc/99/91/83/642999183.db2.gz HKBSQJUECPKBQP-NSHDSACASA-N 2 0 228.336 0.633 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001019337698 643029465 /nfs/dbraw/zinc/02/94/65/643029465.db2.gz WMMPXVGSEMJLPO-NWDGAFQWSA-N 2 0 241.379 0.783 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC[N@H+](C)C1CCCC1 ZINC000070946165 643086260 /nfs/dbraw/zinc/08/62/60/643086260.db2.gz XXQNMIJRLYJCMR-SNVBAGLBSA-N 2 0 227.352 0.714 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NCC[NH+]1CCCCC1 ZINC000049575510 643089710 /nfs/dbraw/zinc/08/97/10/643089710.db2.gz ZLTLGNVOLBAXDP-SNVBAGLBSA-N 2 0 213.325 0.326 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000304411154 643113851 /nfs/dbraw/zinc/11/38/51/643113851.db2.gz YATZHDPTWWWOLS-WDEREUQCSA-N 2 0 225.336 0.324 20 0 BCADRP CC[N@H+](CCNC(=[NH2+])NC1CC1)C(C)C ZINC000066246540 643164917 /nfs/dbraw/zinc/16/49/17/643164917.db2.gz DRANZZCAWWLIHK-UHFFFAOYSA-N 2 0 212.341 0.783 20 0 BCADRP CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000969409524 643168129 /nfs/dbraw/zinc/16/81/29/643168129.db2.gz CKHKDTULTUFSEW-JQWIXIFHSA-N 2 0 239.363 0.537 20 0 BCADRP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001020589756 643222315 /nfs/dbraw/zinc/22/23/15/643222315.db2.gz BITUELQICLHCJD-BJDJZHNGSA-N 2 0 239.363 0.441 20 0 BCADRP CCC[N@H+](CC)CCNC(=[NH2+])NCCOC ZINC000081781400 643292000 /nfs/dbraw/zinc/29/20/00/643292000.db2.gz BONAOJVMJPXMLG-UHFFFAOYSA-N 2 0 230.356 0.269 20 0 BCADRP CC[C@H](O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000082475102 643319772 /nfs/dbraw/zinc/31/97/72/643319772.db2.gz HVXIVSDGDWQGAX-KOLCDFICSA-N 2 0 200.326 0.817 20 0 BCADRP CN(CC[NH+](C)C)C(=O)CC[NH2+]C(C)(C)C ZINC000082541618 643339838 /nfs/dbraw/zinc/33/98/38/643339838.db2.gz UTSKFZMLWHHBEZ-UHFFFAOYSA-N 2 0 229.368 0.785 20 0 BCADRP CC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001020936096 643342054 /nfs/dbraw/zinc/34/20/54/643342054.db2.gz WEJRXXWDXBXIJJ-XYPYZODXSA-N 2 0 237.347 0.339 20 0 BCADRP O=C1OCC[C@@H]1[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843386600 643362650 /nfs/dbraw/zinc/36/26/50/643362650.db2.gz AVUGDDLCZRXBMD-WOPDTQHZSA-N 2 0 238.331 0.623 20 0 BCADRP C[NH2+]CC1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000082681387 643368003 /nfs/dbraw/zinc/36/80/03/643368003.db2.gz PDISPTKMNJBUGA-VIFPVBQESA-N 2 0 240.269 0.841 20 0 BCADRP [NH3+]Cc1ccccc1C(=O)N1CCC[NH2+]CC1 ZINC000082697738 643371014 /nfs/dbraw/zinc/37/10/14/643371014.db2.gz RGHIYQCWTNYHFV-UHFFFAOYSA-N 2 0 233.315 0.581 20 0 BCADRP CCOC[C@H](O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000068953487 643436802 /nfs/dbraw/zinc/43/68/02/643436802.db2.gz QQQRZAMGJOPCNA-LLVKDONJSA-N 2 0 216.325 0.068 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000970482350 643442200 /nfs/dbraw/zinc/44/22/00/643442200.db2.gz UGUJUXRWJBIXGH-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP [NH3+]CCCCCC(=O)NCC[NH+]1CCCC1 ZINC000035663374 643453905 /nfs/dbraw/zinc/45/39/05/643453905.db2.gz BATZURAQMHHRFL-UHFFFAOYSA-N 2 0 227.352 0.718 20 0 BCADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000884265350 643457538 /nfs/dbraw/zinc/45/75/38/643457538.db2.gz GEBGLXJGJGTNOF-WDEREUQCSA-N 2 0 239.363 0.490 20 0 BCADRP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000733868856 643475616 /nfs/dbraw/zinc/47/56/16/643475616.db2.gz CTIIUWRBHJATQY-NEPJUHHUSA-N 2 0 241.379 0.783 20 0 BCADRP CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001032315805 643493813 /nfs/dbraw/zinc/49/38/13/643493813.db2.gz WYHGQZBBJZDLLP-SDDRHHMPSA-N 2 0 237.347 0.386 20 0 BCADRP CN1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000084216450 643551340 /nfs/dbraw/zinc/55/13/40/643551340.db2.gz COJMUPZLSYQHLP-GRYCIOLGSA-N 2 0 211.353 0.798 20 0 BCADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(F)nc1 ZINC000788072258 643558663 /nfs/dbraw/zinc/55/86/63/643558663.db2.gz RGNLNWROUGYRDT-UHFFFAOYSA-N 2 0 241.310 0.889 20 0 BCADRP C[NH+](C)CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000234220036 643605377 /nfs/dbraw/zinc/60/53/77/643605377.db2.gz IBKAIZGDWJGCLQ-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP COCCN(C)CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084221658 643651986 /nfs/dbraw/zinc/65/19/86/643651986.db2.gz YBDKNCOPKSIPNA-NEPJUHHUSA-N 2 0 229.368 0.282 20 0 BCADRP [NH3+]CCCCCCC(=O)NCC1=CC[NH2+]CC1 ZINC000186264919 643671840 /nfs/dbraw/zinc/67/18/40/643671840.db2.gz JEXREAIAIFZTON-UHFFFAOYSA-N 2 0 239.363 0.932 20 0 BCADRP Cn1cc(C[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000085015152 643679100 /nfs/dbraw/zinc/67/91/00/643679100.db2.gz PDKHKNPAYGMGQI-PWSUYJOCSA-N 2 0 222.336 0.979 20 0 BCADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000085014750 643679207 /nfs/dbraw/zinc/67/92/07/643679207.db2.gz VTUZOQUAWNNLKB-OUAUKWLOSA-N 2 0 246.376 0.233 20 0 BCADRP COCC[NH+](CCOC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015038 643679406 /nfs/dbraw/zinc/67/94/06/643679406.db2.gz UIPWDRNDMRFMDM-NEPJUHHUSA-N 2 0 230.352 0.709 20 0 BCADRP CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998730866 643720556 /nfs/dbraw/zinc/72/05/56/643720556.db2.gz LDWIPRFEHBXQQK-NWDGAFQWSA-N 2 0 239.363 0.681 20 0 BCADRP CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000999490773 643736944 /nfs/dbraw/zinc/73/69/44/643736944.db2.gz SJGZFNNJDABBBA-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP C[NH+](C)CCOCC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922007145 643842781 /nfs/dbraw/zinc/84/27/81/643842781.db2.gz HIPKULKJMGOUBU-UHFFFAOYSA-N 2 0 239.319 0.455 20 0 BCADRP CC[N@@H+]1CC[C@H]1CNC(=O)CNc1ccccn1 ZINC000922155981 643875404 /nfs/dbraw/zinc/87/54/04/643875404.db2.gz IPKLJEAIPMSIIC-NSHDSACASA-N 2 0 248.330 0.704 20 0 BCADRP [NH3+]C1CCN(CC[NH2+]C2CCCC2)CC1 ZINC000086206414 643952596 /nfs/dbraw/zinc/95/25/96/643952596.db2.gz GITBJAOEXRPSFP-UHFFFAOYSA-N 2 0 211.353 0.942 20 0 BCADRP Cc1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)cn1 ZINC000360715166 644003838 /nfs/dbraw/zinc/00/38/38/644003838.db2.gz ROABLPRDYPBSFL-UHFFFAOYSA-N 2 0 249.358 0.936 20 0 BCADRP CCO[C@H](CN[C@H]1C[N@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000922757767 644086947 /nfs/dbraw/zinc/08/69/47/644086947.db2.gz LSVRYJJIQSCPBN-XQQFMLRXSA-N 2 0 243.395 0.493 20 0 BCADRP CCO[C@H](CN[C@H]1C[N@H+](C)C[C@H]1C)C[NH+](C)C ZINC000922757766 644087859 /nfs/dbraw/zinc/08/78/59/644087859.db2.gz LSVRYJJIQSCPBN-UPJWGTAASA-N 2 0 243.395 0.493 20 0 BCADRP CCOC[C@H](O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638472 644159018 /nfs/dbraw/zinc/15/90/18/644159018.db2.gz WAHPEFICSZQMIK-SNVBAGLBSA-N 2 0 218.341 0.301 20 0 BCADRP CCCN(C(=O)CC[C@H](C)[NH3+])[C@H]1CC[NH2+]C1 ZINC000193170406 644219985 /nfs/dbraw/zinc/21/99/85/644219985.db2.gz BTLRVJSCVPTRDA-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923288970 644322980 /nfs/dbraw/zinc/32/29/80/644322980.db2.gz NGLNVBOQDKMGBI-OPRDCNLKSA-N 2 0 218.366 0.379 20 0 BCADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](O)CSC)C1 ZINC000923283740 644308459 /nfs/dbraw/zinc/30/84/59/644308459.db2.gz XVIOHBYCSXKVRS-MNOVXSKESA-N 2 0 232.393 0.642 20 0 BCADRP CC(C)OCC[C@H](O)C[NH+]1CCC([NH3+])CC1 ZINC000923276989 644308910 /nfs/dbraw/zinc/30/89/10/644308910.db2.gz IPYBKOITOUCHTG-LBPRGKRZSA-N 2 0 230.352 0.586 20 0 BCADRP CC(C)COC[C@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000923276767 644309553 /nfs/dbraw/zinc/30/95/53/644309553.db2.gz CHENPPXYICRROT-CYBMUJFWSA-N 2 0 244.379 0.691 20 0 BCADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](O)CSC)C1 ZINC000923283742 644310060 /nfs/dbraw/zinc/31/00/60/644310060.db2.gz XVIOHBYCSXKVRS-WDEREUQCSA-N 2 0 232.393 0.642 20 0 BCADRP CC(C)OCC[C@H](O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000923279385 644313006 /nfs/dbraw/zinc/31/30/06/644313006.db2.gz NDBAFFPQVXRXIJ-ZDUSSCGKSA-N 2 0 244.379 0.846 20 0 BCADRP CCOCCOCC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000923281033 644314813 /nfs/dbraw/zinc/31/48/13/644314813.db2.gz CMXUSLUOJLAXPV-ZDUSSCGKSA-N 2 0 244.379 0.971 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](O)CSC)C1 ZINC000923289222 644322533 /nfs/dbraw/zinc/32/25/33/644322533.db2.gz HEXXVDRIOKCZHE-UWVGGRQHSA-N 2 0 218.366 0.252 20 0 BCADRP C[C@H]1CN(CCC[NH2+]C2CC2)CC[C@@H]1[NH3+] ZINC000923289321 644322776 /nfs/dbraw/zinc/32/27/76/644322776.db2.gz GXWHWCBWVBXNLH-JQWIXIFHSA-N 2 0 211.353 0.798 20 0 BCADRP C[N@H+](CCC[NH3+])C[C@H](O)Cc1ccccc1 ZINC000923290368 644322920 /nfs/dbraw/zinc/32/29/20/644322920.db2.gz IILKGGGTFSUHGM-CYBMUJFWSA-N 2 0 222.332 0.871 20 0 BCADRP C[NH2+]CC1CC[NH+](C[C@H](O)CSC)CC1 ZINC000923289911 644323751 /nfs/dbraw/zinc/32/37/51/644323751.db2.gz KDWCMAVKQFPBTD-NSHDSACASA-N 2 0 232.393 0.642 20 0 BCADRP CC(C)COC[C@H](O)C[N@H+](C)CCC[NH3+] ZINC000923290263 644324633 /nfs/dbraw/zinc/32/46/33/644324633.db2.gz DPOCFVICNWTLNE-LLVKDONJSA-N 2 0 218.341 0.301 20 0 BCADRP CC1(C)C[NH2+]CCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923291187 644326435 /nfs/dbraw/zinc/32/64/35/644326435.db2.gz BMPJTAHREOHVIK-LLVKDONJSA-N 2 0 239.363 0.049 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000923290788 644327059 /nfs/dbraw/zinc/32/70/59/644327059.db2.gz NTEHMRKAPWVZID-LBPRGKRZSA-N 2 0 230.352 0.581 20 0 BCADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923291768 644328992 /nfs/dbraw/zinc/32/89/92/644328992.db2.gz UNJVEXFUSWMCFW-JHJVBQTASA-N 2 0 244.379 0.689 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923295918 644331510 /nfs/dbraw/zinc/33/15/10/644331510.db2.gz KHRAEVZGERWZDI-NWDGAFQWSA-N 3 0 241.379 0.328 20 0 BCADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H](O)Cn1cccn1 ZINC000923295803 644333247 /nfs/dbraw/zinc/33/32/47/644333247.db2.gz HSBLRNHVWIOLJO-VXGBXAGGSA-N 2 0 240.351 0.207 20 0 BCADRP O=C1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000923297954 644334126 /nfs/dbraw/zinc/33/41/26/644334126.db2.gz QNYMBMRVODTNCP-YOGCLGLASA-N 2 0 237.347 0.339 20 0 BCADRP CC(C)COC[C@@H](O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000923296312 644334862 /nfs/dbraw/zinc/33/48/62/644334862.db2.gz QKJHHLKWURZEMJ-STQMWFEESA-N 2 0 244.379 0.737 20 0 BCADRP CC(C)COC[C@H](O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000923296309 644335631 /nfs/dbraw/zinc/33/56/31/644335631.db2.gz QKJHHLKWURZEMJ-OLZOCXBDSA-N 2 0 244.379 0.737 20 0 BCADRP C[C@](C[NH3+])(NCCC[NH2+]C1CC1)C1CC1 ZINC000923296506 644336141 /nfs/dbraw/zinc/33/61/41/644336141.db2.gz UFKOBUCIQDMYNM-GFCCVEGCSA-N 2 0 211.353 0.846 20 0 BCADRP COCCC[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923308220 644337933 /nfs/dbraw/zinc/33/79/33/644337933.db2.gz AFAPWIOCAWGLEJ-NSHDSACASA-N 2 0 228.336 0.333 20 0 BCADRP CCO[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923306891 644338138 /nfs/dbraw/zinc/33/81/38/644338138.db2.gz VSJXDFCYTBQJQW-BJDJZHNGSA-N 2 0 228.336 0.338 20 0 BCADRP OCCC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923317106 644342927 /nfs/dbraw/zinc/34/29/27/644342927.db2.gz YTGGKYKSWZVJFI-GFCCVEGCSA-N 2 0 240.347 0.212 20 0 BCADRP C[C@H]1CSCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315292 644343659 /nfs/dbraw/zinc/34/36/59/644343659.db2.gz FWHFWNPRZMMCTG-QWRGUYRKSA-N 2 0 242.388 0.802 20 0 BCADRP C[N@H+](C[C@@H]1CCOC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315736 644343683 /nfs/dbraw/zinc/34/36/83/644343683.db2.gz ZBSNNMLXIQOOCR-RYUDHWBXSA-N 2 0 240.347 0.333 20 0 BCADRP C[C@@H]1CSCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315290 644344317 /nfs/dbraw/zinc/34/43/17/644344317.db2.gz FWHFWNPRZMMCTG-GHMZBOCLSA-N 2 0 242.388 0.802 20 0 BCADRP CC(C)[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCS1 ZINC000923315654 644345136 /nfs/dbraw/zinc/34/51/36/644345136.db2.gz XJNAVEGKPDITHD-FIQHERPVSA-N 2 0 244.404 0.910 20 0 BCADRP CSC[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329309 644345926 /nfs/dbraw/zinc/34/59/26/644345926.db2.gz RQGJGTIQINBVBK-AYLPWXGPSA-N 2 0 244.404 0.925 20 0 BCADRP C[N@H+](CC(C)(C)C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923309947 644346029 /nfs/dbraw/zinc/34/60/29/644346029.db2.gz QEANIYVTOOVCIW-GUBZILKMSA-N 2 0 200.326 0.815 20 0 BCADRP NC(=O)C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923309177 644347057 /nfs/dbraw/zinc/34/70/57/644347057.db2.gz LWMPFMRHGYGPFR-LBPRGKRZSA-N 2 0 239.363 0.858 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000923328111 644347619 /nfs/dbraw/zinc/34/76/19/644347619.db2.gz KGMDMWMPEZVAGN-RWMBFGLXSA-N 2 0 242.363 0.458 20 0 BCADRP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCOC1 ZINC000923311053 644347755 /nfs/dbraw/zinc/34/77/55/644347755.db2.gz GDERFQOKEFEXQD-GHMZBOCLSA-N 2 0 226.320 0.086 20 0 BCADRP CC[C@H](O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923330812 644348635 /nfs/dbraw/zinc/34/86/35/644348635.db2.gz JRKYJWASPLVKPF-NSHDSACASA-N 2 0 212.337 0.833 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923330678 644349838 /nfs/dbraw/zinc/34/98/38/644349838.db2.gz CDHSFNSYCXVAIF-WDEREUQCSA-N 2 0 230.377 0.396 20 0 BCADRP CCOCC[C@@H](O)C[NH2+]CC1([NH3+])CCC1 ZINC000923330506 644349880 /nfs/dbraw/zinc/34/98/80/644349880.db2.gz GTMSXDJQPUDDBT-SNVBAGLBSA-N 2 0 216.325 0.245 20 0 BCADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923330355 644350468 /nfs/dbraw/zinc/35/04/68/644350468.db2.gz CSKWZPSFUATFIK-SDDRHHMPSA-N 3 0 239.363 0.034 20 0 BCADRP CN(CCC[NH2+]C1CC1)[C@@H](C[NH3+])C1CC1 ZINC000923358074 644366408 /nfs/dbraw/zinc/36/64/08/644366408.db2.gz WXOQBVRBNWYMMM-LBPRGKRZSA-N 2 0 211.353 0.798 20 0 BCADRP CSC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000923333731 644353656 /nfs/dbraw/zinc/35/36/56/644353656.db2.gz RVMHUFRKEIJQNE-LNFKQOIKSA-N 2 0 230.377 0.379 20 0 BCADRP CSC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000923333732 644354152 /nfs/dbraw/zinc/35/41/52/644354152.db2.gz RVMHUFRKEIJQNE-VLEAKVRGSA-N 2 0 230.377 0.379 20 0 BCADRP CCOC[C@@H](O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000923336168 644356585 /nfs/dbraw/zinc/35/65/85/644356585.db2.gz QXUKSJMTTMFRKX-OLZOCXBDSA-N 2 0 244.379 0.848 20 0 BCADRP CCOC[C@@H](O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000923336170 644357305 /nfs/dbraw/zinc/35/73/05/644357305.db2.gz QXUKSJMTTMFRKX-STQMWFEESA-N 2 0 244.379 0.848 20 0 BCADRP OCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358141 644366178 /nfs/dbraw/zinc/36/61/78/644366178.db2.gz DJYIEIJVMHGTFV-RYUDHWBXSA-N 2 0 212.337 0.690 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923357680 644367228 /nfs/dbraw/zinc/36/72/28/644367228.db2.gz ZWCSCAWZYUGUBM-NWDGAFQWSA-N 2 0 230.352 0.445 20 0 BCADRP COC[C@H](O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000923357524 644368281 /nfs/dbraw/zinc/36/82/81/644368281.db2.gz PCSUUJWNUWHVTM-QWHCGFSZSA-N 2 0 242.363 0.315 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1c(Cl)cncc1Cl ZINC000923358764 644368294 /nfs/dbraw/zinc/36/82/94/644368294.db2.gz HQDAPTSGVJWOEG-UHFFFAOYSA-N 2 0 249.145 0.764 20 0 BCADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923354254 644368908 /nfs/dbraw/zinc/36/89/08/644368908.db2.gz BAQUTOMSDNEPBH-QWHCGFSZSA-N 2 0 244.379 0.691 20 0 BCADRP C[C@@H](NC(C[NH3+])C[NH3+])c1c(F)cccc1F ZINC000923352609 644368704 /nfs/dbraw/zinc/36/87/04/644368704.db2.gz YHXGCZUTYIYJIH-SSDOTTSWSA-N 2 0 229.274 0.901 20 0 BCADRP CN(C)c1ccccc1CNC(C[NH3+])C[NH3+] ZINC000923353824 644369556 /nfs/dbraw/zinc/36/95/56/644369556.db2.gz BCNJUQCZEQITPO-UHFFFAOYSA-N 2 0 222.336 0.128 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000923353988 644369653 /nfs/dbraw/zinc/36/96/53/644369653.db2.gz PHKFCGSEGGSLII-OLZOCXBDSA-N 2 0 244.379 0.977 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1ccc(-n2cccn2)cc1 ZINC000923352364 644369833 /nfs/dbraw/zinc/36/98/33/644369833.db2.gz VZDMVPNPXBLFBQ-UHFFFAOYSA-N 2 0 245.330 0.248 20 0 BCADRP Cc1ccc2nc(CNC(C[NH3+])C[NH3+])cn2c1 ZINC000923353864 644369907 /nfs/dbraw/zinc/36/99/07/644369907.db2.gz DDTGKLNMVLQJKZ-UHFFFAOYSA-N 2 0 233.319 0.018 20 0 BCADRP CCOCC[C@H](O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000923353990 644370355 /nfs/dbraw/zinc/37/03/55/644370355.db2.gz PHKFCGSEGGSLII-STQMWFEESA-N 2 0 244.379 0.977 20 0 BCADRP CN(C[C@H]1CC2(C[NH2+]C2)CO1)[C@H](C[NH3+])C1CC1 ZINC000923356276 644371841 /nfs/dbraw/zinc/37/18/41/644371841.db2.gz GPUXJJQUNMXSDF-VXGBXAGGSA-N 2 0 239.363 0.034 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923355103 644373143 /nfs/dbraw/zinc/37/31/43/644373143.db2.gz GSSSWCWRQOEIQZ-VHSXEESVSA-N 2 0 218.366 0.381 20 0 BCADRP C[C@H](O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000923356764 644375118 /nfs/dbraw/zinc/37/51/18/644375118.db2.gz KRFWSMXOOWQZTF-CMPLNLGQSA-N 2 0 212.337 0.689 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923356610 644375383 /nfs/dbraw/zinc/37/53/83/644375383.db2.gz SZVDZSMATJKDIH-LBPRGKRZSA-N 2 0 230.352 0.710 20 0 BCADRP C[N@@H+](Cc1cccnc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923372580 644375698 /nfs/dbraw/zinc/37/56/98/644375698.db2.gz ILJMYGBYHKGLPD-ZDUSSCGKSA-N 2 0 247.342 0.892 20 0 BCADRP C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923363732 644376043 /nfs/dbraw/zinc/37/60/43/644376043.db2.gz DRUPOWOEFBIWQD-SDDRHHMPSA-N 2 0 212.337 0.831 20 0 BCADRP CC(C)(C)[C@H](CN)[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923369107 644381906 /nfs/dbraw/zinc/38/19/06/644381906.db2.gz VXSNTQOERVERFT-MNOVXSKESA-N 2 0 241.379 0.328 20 0 BCADRP CC(C)OC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000923371275 644382727 /nfs/dbraw/zinc/38/27/27/644382727.db2.gz WTADKBGOHUEWRW-NWDGAFQWSA-N 2 0 244.379 0.750 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1ncc(Cl)s1 ZINC000923359269 644384077 /nfs/dbraw/zinc/38/40/77/644384077.db2.gz ORRTUMXZWDMREG-UHFFFAOYSA-N 2 0 220.729 0.172 20 0 BCADRP C[C@@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H](C)C[NH2+]1 ZINC000923362397 644385718 /nfs/dbraw/zinc/38/57/18/644385718.db2.gz SKFRJEWKSKWAPC-UTUOFQBUSA-N 2 0 239.363 0.047 20 0 BCADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923362604 644387264 /nfs/dbraw/zinc/38/72/64/644387264.db2.gz PGRPNCQLTGEQDZ-UPJWGTAASA-N 2 0 242.363 0.315 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000923375414 644389098 /nfs/dbraw/zinc/38/90/98/644389098.db2.gz LVOZQISSKGUXPM-CHWSQXEVSA-N 2 0 244.379 0.956 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923375415 644389953 /nfs/dbraw/zinc/38/99/53/644389953.db2.gz LVOZQISSKGUXPM-OLZOCXBDSA-N 2 0 244.379 0.956 20 0 BCADRP C[C@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCCO1 ZINC000923376688 644392055 /nfs/dbraw/zinc/39/20/55/644392055.db2.gz DSCXEXVNPNQXNV-QJPTWQEYSA-N 2 0 240.347 0.522 20 0 BCADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCO)CC1 ZINC000923376423 644392121 /nfs/dbraw/zinc/39/21/21/644392121.db2.gz XJMATSSFTVMOMG-VXGBXAGGSA-N 2 0 228.336 0.197 20 0 BCADRP C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923385311 644393178 /nfs/dbraw/zinc/39/31/78/644393178.db2.gz ZXDYGVSBYTYWHV-WOPDTQHZSA-N 2 0 240.347 0.210 20 0 BCADRP CC(C)OC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923381208 644393807 /nfs/dbraw/zinc/39/38/07/644393807.db2.gz GEKQEAZVPGEBIH-QJPTWQEYSA-N 2 0 230.352 0.632 20 0 BCADRP COC[C@@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000923381496 644394916 /nfs/dbraw/zinc/39/49/16/644394916.db2.gz DOXPAEPRWMTMOQ-WYUUTHIRSA-N 2 0 230.352 0.299 20 0 BCADRP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)[C@@H]1CCCOC1 ZINC000923380810 644395012 /nfs/dbraw/zinc/39/50/12/644395012.db2.gz YAONCVAOFLRCHK-GCHJQGSQSA-N 2 0 228.336 0.242 20 0 BCADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000923389923 644395820 /nfs/dbraw/zinc/39/58/20/644395820.db2.gz AGBXOXRNBVBGAS-GRYCIOLGSA-N 2 0 228.336 0.340 20 0 BCADRP C[C@@H](O)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000082992818 644396013 /nfs/dbraw/zinc/39/60/13/644396013.db2.gz MXKCHMBBJLXTTI-SNVBAGLBSA-N 2 0 200.326 0.689 20 0 BCADRP C[C@H](O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000923383714 644396996 /nfs/dbraw/zinc/39/69/96/644396996.db2.gz LXEHUCBZHDWIRT-QWRGUYRKSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@H](O)C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923391257 644397296 /nfs/dbraw/zinc/39/72/96/644397296.db2.gz XBJHXTHLFJDJER-CMPLNLGQSA-N 2 0 240.347 0.210 20 0 BCADRP CN(C[C@H]1CC2(C[NH2+]C2)CO1)CC(C)(C)[NH3+] ZINC000923386597 644397809 /nfs/dbraw/zinc/39/78/09/644397809.db2.gz PHLMZZPFJMCGND-SNVBAGLBSA-N 2 0 227.352 0.034 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@H](CCF)C2)C1 ZINC000923387783 644398665 /nfs/dbraw/zinc/39/86/65/644398665.db2.gz FPBUGLHESLACMC-RHYQMDGZSA-N 2 0 230.327 0.909 20 0 BCADRP [NH3+]CC12CCC(CC1)CN2[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923392269 644399965 /nfs/dbraw/zinc/39/99/65/644399965.db2.gz JPENENANOHKHIZ-MAHHCSCLSA-N 2 0 239.363 0.040 20 0 BCADRP C[C@H]1C[C@@H]([NH3+])CCN1CCC[NH2+]C1CC1 ZINC000923393459 644401088 /nfs/dbraw/zinc/40/10/88/644401088.db2.gz QWLUHSJGCOTODA-QWRGUYRKSA-N 2 0 211.353 0.940 20 0 BCADRP CSC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000923388744 644402521 /nfs/dbraw/zinc/40/25/21/644402521.db2.gz UKMADBZACLNDDT-SRVKXCTJSA-N 2 0 244.404 0.771 20 0 BCADRP [NH3+][C@@]12CCC[C@@H]1CN(CCC[NH2+]C1CC1)C2 ZINC000923399314 644404979 /nfs/dbraw/zinc/40/49/79/644404979.db2.gz QBEFVJZHHBBCHY-DGCLKSJQSA-N 2 0 223.364 0.942 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000923392860 644409062 /nfs/dbraw/zinc/40/90/62/644409062.db2.gz LLEZJMHFQWUGMC-NWDGAFQWSA-N 2 0 230.352 0.851 20 0 BCADRP CCOCCOCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000923392861 644409725 /nfs/dbraw/zinc/40/97/25/644409725.db2.gz LLEZJMHFQWUGMC-RYUDHWBXSA-N 2 0 230.352 0.851 20 0 BCADRP C[C@H]([NH3+])CN(C)C[C@@H](O)Cc1ccccc1 ZINC000923410181 644412488 /nfs/dbraw/zinc/41/24/88/644412488.db2.gz KXYAWBDBCHZKOG-AAEUAGOBSA-N 2 0 222.332 0.869 20 0 BCADRP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923411391 644415271 /nfs/dbraw/zinc/41/52/71/644415271.db2.gz OMVYIVCOWAYJCX-JHJVBQTASA-N 2 0 244.379 0.547 20 0 BCADRP CSC[C@H](O)C[N@@H+]1CC[NH2+]CCC1(C)C ZINC000923413856 644416465 /nfs/dbraw/zinc/41/64/65/644416465.db2.gz IVUVMCWTZRPTIK-SNVBAGLBSA-N 2 0 232.393 0.784 20 0 BCADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@H]3CSC[C@@H]3C2)C1 ZINC000923413359 644417041 /nfs/dbraw/zinc/41/70/41/644417041.db2.gz FLZUREKSSDQJJN-HTFCKZLJSA-N 2 0 242.388 0.522 20 0 BCADRP CC(C)[C@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[N@@H+]1C ZINC000923415555 644417572 /nfs/dbraw/zinc/41/75/72/644417572.db2.gz QSWCJNSKLAESEJ-RVMXOQNASA-N 2 0 241.379 0.109 20 0 BCADRP CC(C)OC[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923423606 644418351 /nfs/dbraw/zinc/41/83/51/644418351.db2.gz XWXDQUZLHZUWFC-OUAUKWLOSA-N 2 0 230.352 0.488 20 0 BCADRP CC1(C)[C@H]([NH3+])C[C@H]1NCCC[NH2+]C1CC1 ZINC000923423251 644419163 /nfs/dbraw/zinc/41/91/63/644419163.db2.gz WVDWVNBMQGSNDW-GHMZBOCLSA-N 2 0 211.353 0.844 20 0 BCADRP CC1(C)[C@H](NCCC[NH2+]C2CC2)C[C@@H]1[NH3+] ZINC000923423256 644419190 /nfs/dbraw/zinc/41/91/90/644419190.db2.gz WVDWVNBMQGSNDW-WDEREUQCSA-N 2 0 211.353 0.844 20 0 BCADRP CCN(C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CC[NH2+]C1 ZINC000923427076 644422633 /nfs/dbraw/zinc/42/26/33/644422633.db2.gz XZCVMZMTQZVYFN-VXGBXAGGSA-N 2 0 239.363 0.049 20 0 BCADRP CC1(C)CN(CCC[NH2+]C2CC2)C[C@@H]1[NH3+] ZINC000923430191 644422652 /nfs/dbraw/zinc/42/26/52/644422652.db2.gz JKNZUJQXQFWLGG-NSHDSACASA-N 2 0 211.353 0.798 20 0 BCADRP COC[C@@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923447201 644431701 /nfs/dbraw/zinc/43/17/01/644431701.db2.gz PYQUHICIBAQXTC-VXGBXAGGSA-N 2 0 242.363 0.851 20 0 BCADRP C[C@H]1CC[C@H](CN2CC[NH2+]CC[NH2+]CC2)O1 ZINC000923460365 644437139 /nfs/dbraw/zinc/43/71/39/644437139.db2.gz MSFGPUGFOPXOOJ-NWDGAFQWSA-N 2 0 227.352 0.049 20 0 BCADRP c1ccc(CCN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923460043 644437424 /nfs/dbraw/zinc/43/74/24/644437424.db2.gz KWTVPBVEGOWZOP-UHFFFAOYSA-N 2 0 233.359 0.724 20 0 BCADRP C[C@@H]1CC[C@@H](CN2CC[NH2+]CC[NH2+]CC2)O1 ZINC000923460363 644438218 /nfs/dbraw/zinc/43/82/18/644438218.db2.gz MSFGPUGFOPXOOJ-NEPJUHHUSA-N 2 0 227.352 0.049 20 0 BCADRP Cc1cc(CN2CC[NH2+]CC[NH2+]CC2)nc(C)n1 ZINC000923459328 644439416 /nfs/dbraw/zinc/43/94/16/644439416.db2.gz FIGYAWCTPCZEBV-UHFFFAOYSA-N 2 0 249.362 0.088 20 0 BCADRP COCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923453522 644441987 /nfs/dbraw/zinc/44/19/87/644441987.db2.gz NGWFYTDFBWJQMC-NSHDSACASA-N 2 0 228.336 0.463 20 0 BCADRP CCOC(=O)CC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923485206 644461244 /nfs/dbraw/zinc/46/12/44/644461244.db2.gz QEHFKKBALIIGDO-JTQLQIEISA-N 2 0 214.309 0.610 20 0 BCADRP Cc1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923464554 644443803 /nfs/dbraw/zinc/44/38/03/644443803.db2.gz PIGCLSYDMMHUHU-UHFFFAOYSA-N 2 0 233.359 0.990 20 0 BCADRP Nc1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923462243 644445395 /nfs/dbraw/zinc/44/53/95/644445395.db2.gz GIZQRFRHNBPYNS-UHFFFAOYSA-N 2 0 234.347 0.264 20 0 BCADRP Cc1nc(CN2CC[NH2+]CC[NH2+]CC2)cs1 ZINC000923462887 644446468 /nfs/dbraw/zinc/44/64/68/644446468.db2.gz MFGMOKLNAVEGBX-UHFFFAOYSA-N 2 0 240.376 0.446 20 0 BCADRP COc1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923460511 644447150 /nfs/dbraw/zinc/44/71/50/644447150.db2.gz UGCYWZGHLJRURD-UHFFFAOYSA-N 2 0 249.358 0.690 20 0 BCADRP CCCCOCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923461114 644447425 /nfs/dbraw/zinc/44/74/25/644447425.db2.gz LYFFKOJUBNIDAF-UHFFFAOYSA-N 2 0 229.368 0.298 20 0 BCADRP CN(C)C(=O)CC[N@H+](C)C1CCC([NH3+])CC1 ZINC000085869801 644452426 /nfs/dbraw/zinc/45/24/26/644452426.db2.gz FBLVHXPJSQEDNQ-UHFFFAOYSA-N 2 0 227.352 0.666 20 0 BCADRP Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](CC[NH3+])C2)[nH]1 ZINC000923480591 644458842 /nfs/dbraw/zinc/45/88/42/644458842.db2.gz JNYGTTAVJSGOBN-SCZZXKLOSA-N 2 0 223.324 0.845 20 0 BCADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000923480633 644458986 /nfs/dbraw/zinc/45/89/86/644458986.db2.gz ZAUNMGRVJPOVTL-NSHDSACASA-N 2 0 248.330 0.691 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000923480630 644459526 /nfs/dbraw/zinc/45/95/26/644459526.db2.gz ZAUNMGRVJPOVTL-LLVKDONJSA-N 2 0 248.330 0.691 20 0 BCADRP Nc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)ccn1 ZINC000923480872 644460039 /nfs/dbraw/zinc/46/00/39/644460039.db2.gz LROOFNPBQUESFS-JTQLQIEISA-N 2 0 220.320 0.835 20 0 BCADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CC[C@@H]1C[NH3+] ZINC000923495493 644461968 /nfs/dbraw/zinc/46/19/68/644461968.db2.gz WHWDZLCVXLGYNU-JHJVBQTASA-N 3 0 225.380 0.903 20 0 BCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CC[C@H]1C[NH3+] ZINC000923495339 644462016 /nfs/dbraw/zinc/46/20/16/644462016.db2.gz BPNQYPSAASZUQE-VWYCJHECSA-N 2 0 225.336 0.134 20 0 BCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CC[C@@H]1C[NH3+] ZINC000923495336 644462507 /nfs/dbraw/zinc/46/25/07/644462507.db2.gz BPNQYPSAASZUQE-MXWKQRLJSA-N 2 0 225.336 0.134 20 0 BCADRP COC[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923491826 644466798 /nfs/dbraw/zinc/46/67/98/644466798.db2.gz UJEUUPRKYVQCQP-OUAUKWLOSA-N 2 0 200.326 0.938 20 0 BCADRP COC(=O)CC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923493154 644468159 /nfs/dbraw/zinc/46/81/59/644468159.db2.gz DWFFJVLMIJHDLW-UWVGGRQHSA-N 2 0 214.309 0.466 20 0 BCADRP C[C@H]1C[N@H+](Cc2cnn(C)c2)CC[C@H]1C[NH3+] ZINC000923498975 644473382 /nfs/dbraw/zinc/47/33/82/644473382.db2.gz JMKGHRBRNUOVJR-JQWIXIFHSA-N 2 0 222.336 0.837 20 0 BCADRP CCOCC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515990 644479726 /nfs/dbraw/zinc/47/97/26/644479726.db2.gz PVBBUKKYVODMSD-YNEHKIRRSA-N 2 0 242.363 0.315 20 0 BCADRP C[C@H](O)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000087129162 644480185 /nfs/dbraw/zinc/48/01/85/644480185.db2.gz SKGXNIMVGOHHKD-UWVGGRQHSA-N 2 0 200.326 0.687 20 0 BCADRP CCOC(=O)CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516589 644481506 /nfs/dbraw/zinc/48/15/06/644481506.db2.gz KWFZBROPKAWNFU-WDEREUQCSA-N 2 0 226.320 0.481 20 0 BCADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515816 644481517 /nfs/dbraw/zinc/48/15/17/644481517.db2.gz NIOHVPMMCYKWEC-FRRDWIJNSA-N 3 0 223.364 0.527 20 0 BCADRP CC[NH2+]CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164377 644512061 /nfs/dbraw/zinc/51/20/61/644512061.db2.gz UWYSNFWDZKHPLF-YOGCLGLASA-N 2 0 239.363 0.727 20 0 BCADRP C[C@@H](CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[NH+](C)C ZINC000094751974 644726590 /nfs/dbraw/zinc/72/65/90/644726590.db2.gz RFNCLTOXVWARCO-TUAOUCFPSA-N 2 0 241.379 0.960 20 0 BCADRP COCCN(C)CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000250005069 644745986 /nfs/dbraw/zinc/74/59/86/644745986.db2.gz SORSXPKQUKCVLV-STQMWFEESA-N 2 0 243.395 0.672 20 0 BCADRP CCOC[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250470030 644759896 /nfs/dbraw/zinc/75/98/96/644759896.db2.gz CLLYOQQSWSSCOH-HNGCFSAESA-N 2 0 242.363 0.599 20 0 BCADRP CCOC[C@@H](O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000250465316 644760243 /nfs/dbraw/zinc/76/02/43/644760243.db2.gz BEJWFVPVESHPKU-RYUDHWBXSA-N 2 0 230.352 0.587 20 0 BCADRP CC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000251115399 644794278 /nfs/dbraw/zinc/79/42/78/644794278.db2.gz VESSJJYNVOZTFD-DCAQKATOSA-N 2 0 200.326 0.959 20 0 BCADRP C[C@H]1C[N@H+](CCN2CCOCC2)CC[C@H]1C[NH3+] ZINC000251888211 644829925 /nfs/dbraw/zinc/82/99/25/644829925.db2.gz VICNZOXVPXNTNV-STQMWFEESA-N 2 0 241.379 0.235 20 0 BCADRP [NH3+][C@H](CC1CC1)C(=O)NC1CCC([NH3+])CC1 ZINC000304354087 644895366 /nfs/dbraw/zinc/89/53/66/644895366.db2.gz LGTVDTCCPSYAEK-VQXHTEKXSA-N 2 0 225.336 0.500 20 0 BCADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000304349740 644895808 /nfs/dbraw/zinc/89/58/08/644895808.db2.gz KHXDHNYTDFPDQS-JTQLQIEISA-N 2 0 227.352 0.570 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000304411146 644905434 /nfs/dbraw/zinc/90/54/34/644905434.db2.gz YATZHDPTWWWOLS-GHMZBOCLSA-N 2 0 225.336 0.324 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252795134 644907628 /nfs/dbraw/zinc/90/76/28/644907628.db2.gz ZYFJCQAREHTESE-HBNTYKKESA-N 2 0 216.325 0.053 20 0 BCADRP CC(C)[N@@H+]1CC[C@@H](CNC2=[NH+]CCN2C)C1 ZINC000304531093 644914955 /nfs/dbraw/zinc/91/49/55/644914955.db2.gz IRYSQZAIGVAAAF-NSHDSACASA-N 2 0 224.352 0.608 20 0 BCADRP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@]1(F)CC[NH2+]C1 ZINC000834848751 645148938 /nfs/dbraw/zinc/14/89/38/645148938.db2.gz HTGRSBHQOQYTPC-JQWIXIFHSA-N 2 0 243.326 0.336 20 0 BCADRP O=C(NCCC[C@H]1CCC[NH2+]1)[C@@]1(F)CC[NH2+]C1 ZINC000834848753 645149222 /nfs/dbraw/zinc/14/92/22/645149222.db2.gz HTGRSBHQOQYTPC-ZYHUDNBSSA-N 2 0 243.326 0.336 20 0 BCADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000841856039 645229686 /nfs/dbraw/zinc/22/96/86/645229686.db2.gz LJXZXWQSBJSWFH-GZMMTYOYSA-N 2 0 231.315 0.178 20 0 BCADRP [NH3+]C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)C1CCCC1 ZINC000841855844 645230282 /nfs/dbraw/zinc/23/02/82/645230282.db2.gz IPCKWYFQMZNVKG-NEPJUHHUSA-N 2 0 239.363 0.748 20 0 BCADRP [NH3+]C[C@@H](NC(=O)[C@@]1(F)CC[NH2+]C1)C1CCCC1 ZINC000841856281 645230481 /nfs/dbraw/zinc/23/04/81/645230481.db2.gz MJQFJJAGEPNJKU-ZYHUDNBSSA-N 2 0 243.326 0.322 20 0 BCADRP [NH3+]C[C@@H](NC(=O)C[C@H]([NH3+])C1CC1)C1CCCC1 ZINC000841855846 645230913 /nfs/dbraw/zinc/23/09/13/645230913.db2.gz IPCKWYFQMZNVKG-NWDGAFQWSA-N 2 0 239.363 0.748 20 0 BCADRP [NH3+]C[C@H](NC(=O)[C@@]1(F)CC[NH2+]C1)C1CCCC1 ZINC000841856273 645230996 /nfs/dbraw/zinc/23/09/96/645230996.db2.gz MJQFJJAGEPNJKU-CMPLNLGQSA-N 2 0 243.326 0.322 20 0 BCADRP C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000843324666 645283939 /nfs/dbraw/zinc/28/39/39/645283939.db2.gz QBUVSHMJRGSKDN-GRYCIOLGSA-N 2 0 239.363 0.490 20 0 BCADRP C[C@@H]1CC[N@H+](CCNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000844187356 645316313 /nfs/dbraw/zinc/31/63/13/645316313.db2.gz GISIFHMDLBRPSI-ZYHUDNBSSA-N 2 0 239.363 0.572 20 0 BCADRP C[C@H]1CC[N@H+](CCNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000844187009 645316409 /nfs/dbraw/zinc/31/64/09/645316409.db2.gz BEZPWUWLZMVXOA-WCQYABFASA-N 2 0 239.363 0.444 20 0 BCADRP CC[NH2+]CC(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000844186972 645316908 /nfs/dbraw/zinc/31/69/08/645316908.db2.gz DCDBQURKBPROTH-NSHDSACASA-N 2 0 227.352 0.587 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000926768870 645414578 /nfs/dbraw/zinc/41/45/78/645414578.db2.gz FGIUZEPBBXSZNC-ZSLJRAHMSA-N 2 0 224.348 0.687 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H](O)C(F)F ZINC000926782442 645428900 /nfs/dbraw/zinc/42/89/00/645428900.db2.gz BEXRQGLHJLANNW-GZBOUJLJSA-N 2 0 248.317 0.932 20 0 BCADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC(C(N)=O)C1 ZINC000926810619 645441726 /nfs/dbraw/zinc/44/17/26/645441726.db2.gz UOCHEZCRGXLUHI-MXSCYXCISA-N 2 0 237.347 0.180 20 0 BCADRP CNC(=[NH2+])NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000849023914 645447657 /nfs/dbraw/zinc/44/76/57/645447657.db2.gz LUAZRTZYLFNYHO-SECBINFHSA-N 2 0 212.341 0.851 20 0 BCADRP C[C@@H](CN[C@H]1CC[NH2+]C12CCC2)[NH+](C)C ZINC000925490136 645535485 /nfs/dbraw/zinc/53/54/85/645535485.db2.gz AUDMHUDFXKDRBA-QWRGUYRKSA-N 2 0 211.353 0.811 20 0 BCADRP CN(CCC[NH2+]Cc1cn[nH]c1)CC[NH+](C)C ZINC000857783792 645666796 /nfs/dbraw/zinc/66/67/96/645666796.db2.gz BMNYTWYJPXALEH-UHFFFAOYSA-N 2 0 239.367 0.383 20 0 BCADRP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC000928425116 645741350 /nfs/dbraw/zinc/74/13/50/645741350.db2.gz HBSOCWRSQABMFL-GMTAPVOTSA-N 2 0 227.352 0.535 20 0 BCADRP C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC000928427401 645743620 /nfs/dbraw/zinc/74/36/20/645743620.db2.gz JYPJTXNQMRDZSE-WDEREUQCSA-N 2 0 237.347 0.291 20 0 BCADRP CC[NH2+][C@@H](C)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877371738 645793222 /nfs/dbraw/zinc/79/32/22/645793222.db2.gz NOSVSIRWMJNIJP-JBLDHEPKSA-N 2 0 225.336 0.052 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)CC[NH2+]C1CC1)C2 ZINC000877372787 645793231 /nfs/dbraw/zinc/79/32/31/645793231.db2.gz NWWAYNIPNMASLQ-GXFFZTMASA-N 2 0 237.347 0.196 20 0 BCADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC1(C)CC[NH2+]CC1 ZINC000884270113 645871748 /nfs/dbraw/zinc/87/17/48/645871748.db2.gz GNSVFGXKTVZBKY-JTQLQIEISA-N 2 0 239.363 0.490 20 0 BCADRP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)CC[C@H]1[NH3+] ZINC000884270018 645872119 /nfs/dbraw/zinc/87/21/19/645872119.db2.gz DVSBOQARJZHLES-UTUOFQBUSA-N 2 0 239.363 0.700 20 0 BCADRP CC1(NC(=O)[C@H]([NH3+])CC2CC2)CC[NH2+]CC1 ZINC000884270476 645872887 /nfs/dbraw/zinc/87/28/87/645872887.db2.gz MWYQEAHZBFFFGL-SNVBAGLBSA-N 2 0 225.336 0.372 20 0 BCADRP C[NH2+]CCC[N@H+](C)C[C@@H]1C[C@@]12CCOC2 ZINC000886839578 645891027 /nfs/dbraw/zinc/89/10/27/645891027.db2.gz HWDQSDCQHRMFPZ-NWDGAFQWSA-N 2 0 212.337 0.954 20 0 BCADRP CC[N@H+](CCNC(=[NH2+])NC(C)C)C1CC1 ZINC000221887075 645893904 /nfs/dbraw/zinc/89/39/04/645893904.db2.gz ZIISKQARNXEIAY-UHFFFAOYSA-N 2 0 212.341 0.993 20 0 BCADRP O=C(N[C@H]1CCC[NH2+]C1)N[C@H]1CCC[NH2+]CC1 ZINC000929065198 645931463 /nfs/dbraw/zinc/93/14/63/645931463.db2.gz QGACCOXQXCICAE-QWRGUYRKSA-N 2 0 240.351 0.180 20 0 BCADRP C[NH+](C)CCC[NH2+][C@@H]1CCOC12CCOCC2 ZINC000924538373 646057618 /nfs/dbraw/zinc/05/76/18/646057618.db2.gz IVZMKXDSYRTHEO-GFCCVEGCSA-N 2 0 242.363 0.866 20 0 BCADRP C[C@H](O)[C@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000929327672 646082364 /nfs/dbraw/zinc/08/23/64/646082364.db2.gz KYZNJQPRMCXNHJ-WCQYABFASA-N 2 0 244.379 0.392 20 0 BCADRP Cn1nccc1C[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000924645522 646084906 /nfs/dbraw/zinc/08/49/06/646084906.db2.gz ZCJJJXHENMHULV-QYJAPNMZSA-N 2 0 234.347 0.850 20 0 BCADRP COCC[N@H+](C)CCC[NH2+][C@@H]1COC[C@H]1C ZINC000924653221 646086550 /nfs/dbraw/zinc/08/65/50/646086550.db2.gz HTXKVYOOYYFCHC-VXGBXAGGSA-N 2 0 230.352 0.579 20 0 BCADRP C[C@H](CO)[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000924752902 646099987 /nfs/dbraw/zinc/09/99/87/646099987.db2.gz IEXAJZRIPZNLJM-UTUOFQBUSA-N 2 0 212.337 0.974 20 0 BCADRP C[NH+](C)CCCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000924856194 646119947 /nfs/dbraw/zinc/11/99/47/646119947.db2.gz USOGLVFUBKJYRH-SNVBAGLBSA-N 2 0 227.352 0.442 20 0 BCADRP C[N@H+](CC1CC1)C[C@H]1CCN(C[C@H](O)CO)C1 ZINC000929762598 646294569 /nfs/dbraw/zinc/29/45/69/646294569.db2.gz GMIGEVRJTGTORH-OLZOCXBDSA-N 2 0 242.363 0.003 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2COCCO2)C1 ZINC000925485274 646296953 /nfs/dbraw/zinc/29/69/53/646296953.db2.gz MQVVUWZQESYPSO-IJLUTSLNSA-N 2 0 242.363 0.897 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)CO)C[C@@H]1C ZINC000929779150 646306840 /nfs/dbraw/zinc/30/68/40/646306840.db2.gz DUYZYUMDCAWYAI-SDDRHHMPSA-N 2 0 230.352 0.144 20 0 BCADRP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CCOC2)CC[N@@H+]1C ZINC000925515364 646310026 /nfs/dbraw/zinc/31/00/26/646310026.db2.gz HSMJNKFPKQBPJI-WOPDTQHZSA-N 2 0 227.352 0.047 20 0 BCADRP COCC[N@H+](C)CCCN[C@@H]1CCC[NH2+][C@H]1C ZINC000925543986 646318165 /nfs/dbraw/zinc/31/81/65/646318165.db2.gz PAIBTRIJKIWXJI-QWHCGFSZSA-N 2 0 243.395 0.685 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000925534561 646320480 /nfs/dbraw/zinc/32/04/80/646320480.db2.gz MXGPDVMWYKKBPG-MXWKQRLJSA-N 2 0 239.363 0.761 20 0 BCADRP C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925540717 646321688 /nfs/dbraw/zinc/32/16/88/646321688.db2.gz FENDNIBZFJKWTD-FRRDWIJNSA-N 2 0 241.379 0.437 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCO[C@H]1CCOC1 ZINC000925552700 646328365 /nfs/dbraw/zinc/32/83/65/646328365.db2.gz LXOZQTJGWQORFX-NWDGAFQWSA-N 2 0 242.363 0.912 20 0 BCADRP C1C[N@@H+]2CCCC[C@H]2[C@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925553550 646332139 /nfs/dbraw/zinc/33/21/39/646332139.db2.gz QQEUUUMSZQXQDS-AGIUHOORSA-N 2 0 239.363 0.191 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925565736 646332274 /nfs/dbraw/zinc/33/22/74/646332274.db2.gz XKHSXDNVUZCYFI-MNOVXSKESA-N 2 0 211.353 0.811 20 0 BCADRP C1C[C@@H]2C[C@H](N[C@@H]3C[NH2+]CCOC3)CC[N@@H+]2C1 ZINC000925562851 646335482 /nfs/dbraw/zinc/33/54/82/646335482.db2.gz QWPOKLKRWPCWCI-JHJVBQTASA-N 2 0 239.363 0.191 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH2+]C12CCC2 ZINC000925564140 646337698 /nfs/dbraw/zinc/33/76/98/646337698.db2.gz HKCBGDJCVFSZLG-NEPJUHHUSA-N 2 0 223.364 0.955 20 0 BCADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925564145 646338245 /nfs/dbraw/zinc/33/82/45/646338245.db2.gz HKCBGDJCVFSZLG-VXGBXAGGSA-N 2 0 223.364 0.955 20 0 BCADRP CN1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1=O ZINC000925593105 646349134 /nfs/dbraw/zinc/34/91/34/646349134.db2.gz CVSJVYXWBLRGJY-GMTAPVOTSA-N 2 0 239.363 0.713 20 0 BCADRP CC(C)(C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C(N)=O ZINC000925602624 646355608 /nfs/dbraw/zinc/35/56/08/646355608.db2.gz VBIYZNYQVAQEOE-UWVGGRQHSA-N 2 0 241.379 0.994 20 0 BCADRP C[C@H](CO)[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925612514 646361849 /nfs/dbraw/zinc/36/18/49/646361849.db2.gz MFGHHKYLUJQGQR-ZNSHCXBVSA-N 2 0 212.337 0.733 20 0 BCADRP OCC[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC1 ZINC000925617637 646365777 /nfs/dbraw/zinc/36/57/77/646365777.db2.gz DEUUWYBABMIETN-VZKILSJISA-N 2 0 236.359 0.733 20 0 BCADRP C[C@H]1CCC[N@@H+]1CCN[C@H]1C[NH2+]CCOC1 ZINC000925624409 646369452 /nfs/dbraw/zinc/36/94/52/646369452.db2.gz XBGYIQLYFDZRRI-RYUDHWBXSA-N 2 0 227.352 0.049 20 0 BCADRP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1C[NH2+]CCOC1 ZINC000925624410 646369551 /nfs/dbraw/zinc/36/95/51/646369551.db2.gz XBGYIQLYFDZRRI-VXGBXAGGSA-N 2 0 227.352 0.049 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCOCCO)C1 ZINC000925630416 646376743 /nfs/dbraw/zinc/37/67/43/646376743.db2.gz AZXNJMIBFUUCBB-VXGBXAGGSA-N 2 0 244.379 0.881 20 0 BCADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000925650593 646388722 /nfs/dbraw/zinc/38/87/22/646388722.db2.gz WUVIIROGZZXNFM-VWYCJHECSA-N 2 0 212.337 0.878 20 0 BCADRP CCCC[N@H+](C)C[C@@H](C)N[C@H]1C[NH2+]CCOC1 ZINC000925668421 646398437 /nfs/dbraw/zinc/39/84/37/646398437.db2.gz HDFUNAUXMWYPNP-OLZOCXBDSA-N 2 0 243.395 0.685 20 0 BCADRP C[C@@H](CCCCO)[NH2+][C@@H]1CNCCOC1 ZINC000925677933 646407161 /nfs/dbraw/zinc/40/71/61/646407161.db2.gz ASQLFMOBFOHTRX-WDEREUQCSA-N 2 0 216.325 0.116 20 0 BCADRP C[C@H](CCCCO)[NH2+][C@H]1CNCCOC1 ZINC000925677930 646407534 /nfs/dbraw/zinc/40/75/34/646407534.db2.gz ASQLFMOBFOHTRX-MNOVXSKESA-N 2 0 216.325 0.116 20 0 BCADRP C1CCC2(C1)[NH2+]CC[C@H]2N[C@H]1CC[NH2+]C1 ZINC000925690370 646411220 /nfs/dbraw/zinc/41/12/20/646411220.db2.gz JFOSFSLJGINEET-WDEREUQCSA-N 2 0 209.337 0.613 20 0 BCADRP O[C@@H]1CCC[C@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925689253 646414830 /nfs/dbraw/zinc/41/48/30/646414830.db2.gz FPMCCSUTRAJVRV-BHAYOYGOSA-N 2 0 236.359 0.733 20 0 BCADRP Cc1nccn1CCC[N@@H+](C)C[C@H](O)[C@@H](C)O ZINC000930060591 646415528 /nfs/dbraw/zinc/41/55/28/646415528.db2.gz MRSANTBWVXXTGZ-PWSUYJOCSA-N 2 0 241.335 0.255 20 0 BCADRP CC1(C)C[C@@H]([NH2+][C@@H]2COC[C@H]2O)C[C@@H]([NH3+])C1 ZINC000925691361 646416142 /nfs/dbraw/zinc/41/61/42/646416142.db2.gz MWZPLYNBIKNUKC-LMLFDSFASA-N 2 0 228.336 0.242 20 0 BCADRP [NH3+]C1(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCC1 ZINC000925697359 646421754 /nfs/dbraw/zinc/42/17/54/646421754.db2.gz FAYXTLSOIVGLFS-RNWYCLNJSA-N 2 0 221.348 0.454 20 0 BCADRP CC(C)([NH3+])CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925699420 646423163 /nfs/dbraw/zinc/42/31/63/646423163.db2.gz ONESNQZJBVGGNC-SNVBAGLBSA-N 2 0 211.353 0.988 20 0 BCADRP [NH3+][C@@H]1C[C@H](NCC2([NH3+])CCC2)C12CCC2 ZINC000925698468 646423387 /nfs/dbraw/zinc/42/33/87/646423387.db2.gz JTERJWXSSDGQFJ-ZJUUUORDSA-N 2 0 209.337 0.727 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000925700501 646424834 /nfs/dbraw/zinc/42/48/34/646424834.db2.gz QLADEDIGBSTYCS-GHMZBOCLSA-N 2 0 211.353 0.859 20 0 BCADRP C[C@@H]([NH3+])CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925700750 646425201 /nfs/dbraw/zinc/42/52/01/646425201.db2.gz SLDDYQVDAKKURS-ZNSHCXBVSA-N 2 0 211.353 0.700 20 0 BCADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925701048 646425204 /nfs/dbraw/zinc/42/52/04/646425204.db2.gz UYWSVYDINSFCLE-NOOOWODRSA-N 2 0 223.364 0.844 20 0 BCADRP C[C@@H](N[C@@H]1CC[NH2+]C12CCCC2)[C@H](C)[NH3+] ZINC000925702518 646426569 /nfs/dbraw/zinc/42/65/69/646426569.db2.gz AZTYTMUQQOEVMC-HBNTYKKESA-N 2 0 211.353 0.986 20 0 BCADRP [NH3+]CC1(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925702613 646427683 /nfs/dbraw/zinc/42/76/83/646427683.db2.gz PCQUJNPZHYDOIJ-GHMZBOCLSA-N 3 0 223.364 0.975 20 0 BCADRP [NH3+]CC1(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925702614 646427883 /nfs/dbraw/zinc/42/78/83/646427883.db2.gz PCQUJNPZHYDOIJ-MNOVXSKESA-N 3 0 223.364 0.975 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CNCCO2)C1 ZINC000925704010 646429777 /nfs/dbraw/zinc/42/97/77/646429777.db2.gz FSHGCBAJXSEIIP-UTUOFQBUSA-N 2 0 241.379 0.470 20 0 BCADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000930094515 646431360 /nfs/dbraw/zinc/43/13/60/646431360.db2.gz KIZGVWCBLMOUFH-VXGBXAGGSA-N 2 0 241.379 0.926 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NCC1([NH3+])CCCC1 ZINC000925708894 646432059 /nfs/dbraw/zinc/43/20/59/646432059.db2.gz DSLFQILYQSCNFU-SNVBAGLBSA-N 2 0 211.353 0.988 20 0 BCADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cnnn1C ZINC000925710117 646434129 /nfs/dbraw/zinc/43/41/29/646434129.db2.gz WITNMNHLEPHJLU-JTQLQIEISA-N 2 0 235.335 0.728 20 0 BCADRP CC1(C)[C@@H]([NH2+]C/C=C/CO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925709611 646435035 /nfs/dbraw/zinc/43/50/35/646435035.db2.gz VRDRFDPCKMXXMS-LRABVFIDSA-N 2 0 224.348 0.901 20 0 BCADRP C[C@H](CCC[NH3+])[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925711848 646436836 /nfs/dbraw/zinc/43/68/36/646436836.db2.gz SRTSVHGUKZYKCI-HDLKOFKZSA-N 3 0 223.364 0.700 20 0 BCADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000925716705 646438373 /nfs/dbraw/zinc/43/83/73/646438373.db2.gz GCQDALQSVSQGIZ-VXGBXAGGSA-N 3 0 243.395 0.847 20 0 BCADRP C[C@@H]1CC[C@H](N[C@H]2CCC[NH2+][C@H]2C)C[NH2+]1 ZINC000925716121 646440290 /nfs/dbraw/zinc/44/02/90/646440290.db2.gz BERADOPEDNQTGB-RHYQMDGZSA-N 2 0 211.353 0.857 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NCCOCCC[NH3+] ZINC000925717113 646440512 /nfs/dbraw/zinc/44/05/12/646440512.db2.gz ITDZWONPZXONOX-SNVBAGLBSA-N 2 0 215.341 0.082 20 0 BCADRP C/C=C/C[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925717032 646440700 /nfs/dbraw/zinc/44/07/00/646440700.db2.gz HWJBXADSJVZEPX-JRQSLIGLSA-N 2 0 210.321 0.904 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925718944 646442042 /nfs/dbraw/zinc/44/20/42/646442042.db2.gz KOXUMLCTLNFJIR-NWDGAFQWSA-N 3 0 243.395 0.718 20 0 BCADRP CC1(C)C[C@@H]([NH2+]C[C@H]2COCCN2)C[C@@H]([NH3+])C1 ZINC000925719742 646443745 /nfs/dbraw/zinc/44/37/45/646443745.db2.gz VLJHOHRYPSKUTE-WOPDTQHZSA-N 2 0 241.379 0.470 20 0 BCADRP [NH3+]CCCOCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925719731 646444333 /nfs/dbraw/zinc/44/43/33/646444333.db2.gz VIOFEKIWCJQQQH-GHMZBOCLSA-N 3 0 227.352 0.211 20 0 BCADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925718946 646444578 /nfs/dbraw/zinc/44/45/78/646444578.db2.gz KOXUMLCTLNFJIR-VXGBXAGGSA-N 3 0 243.395 0.718 20 0 BCADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]C1(C)C ZINC000925719904 646444639 /nfs/dbraw/zinc/44/46/39/646444639.db2.gz QAYPEDWGEVKPSQ-HBNTYKKESA-N 2 0 211.353 0.857 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925726965 646451639 /nfs/dbraw/zinc/45/16/39/646451639.db2.gz MERRBGXJKKGQAB-DCAQKATOSA-N 3 0 209.337 0.598 20 0 BCADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925725584 646451666 /nfs/dbraw/zinc/45/16/66/646451666.db2.gz AUGGSVRQKIQHNQ-NAKRPEOUSA-N 3 0 209.337 0.583 20 0 BCADRP [NH3+]C1CC(C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925729806 646454243 /nfs/dbraw/zinc/45/42/43/646454243.db2.gz MERRBGXJKKGQAB-ILDUYXDCSA-N 3 0 209.337 0.598 20 0 BCADRP CC(C)([NH3+])CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925738389 646461121 /nfs/dbraw/zinc/46/11/21/646461121.db2.gz TUFVGSBDKDCUAL-NXEZZACHSA-N 2 0 211.353 0.973 20 0 BCADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CO)C[C@H]2CCCO2)C1 ZINC000925766260 646467954 /nfs/dbraw/zinc/46/79/54/646467954.db2.gz ILOMABVCSFSQMT-MROQNXINSA-N 2 0 242.363 0.776 20 0 BCADRP C[C@H](N[C@@H](CO)C[C@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000925767080 646468022 /nfs/dbraw/zinc/46/80/22/646468022.db2.gz MIDIEEFMMYDYOQ-LOWDOPEQSA-N 2 0 242.363 0.647 20 0 BCADRP C[C@H](N[C@H](CO)C[C@@H]1CCCO1)[C@H]1CCC[NH2+]1 ZINC000925767086 646468902 /nfs/dbraw/zinc/46/89/02/646468902.db2.gz MIDIEEFMMYDYOQ-ZDEQEGDKSA-N 2 0 242.363 0.647 20 0 BCADRP C[C@H]1C[N@H+](C)C[C@H]1NCc1cc(N)cc[nH+]1 ZINC000925770776 646471462 /nfs/dbraw/zinc/47/14/62/646471462.db2.gz JAFYJVDBEZUCMK-JOYOIKCWSA-N 2 0 220.320 0.704 20 0 BCADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000925773621 646472827 /nfs/dbraw/zinc/47/28/27/646472827.db2.gz FEKXDCCQDWISDK-QNWHQSFQSA-N 2 0 242.363 0.897 20 0 BCADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925774512 646474074 /nfs/dbraw/zinc/47/40/74/646474074.db2.gz AWXBEBFOXPPZCS-GARJFASQSA-N 2 0 247.333 0.961 20 0 BCADRP C[C@H](NC[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000925776838 646475508 /nfs/dbraw/zinc/47/55/08/646475508.db2.gz MVECIBJJPFCARE-AXFHLTTASA-N 2 0 247.333 0.961 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925776889 646476177 /nfs/dbraw/zinc/47/61/77/646476177.db2.gz NKYSOKHIFBRRCB-VHSXEESVSA-N 2 0 247.333 0.961 20 0 BCADRP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H]1C[NH2+]CCC1(F)F ZINC000925775440 646476274 /nfs/dbraw/zinc/47/62/74/646476274.db2.gz GSQCQIPBGQLRHA-AXFHLTTASA-N 2 0 247.333 0.948 20 0 BCADRP CC[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000925778455 646477483 /nfs/dbraw/zinc/47/74/83/646477483.db2.gz DECBUILXQMCWEN-WISYIIOYSA-N 2 0 211.353 0.715 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)O1 ZINC000925783092 646479206 /nfs/dbraw/zinc/47/92/06/646479206.db2.gz BXRPZZNEUOGUPW-JCIQBVFBSA-N 2 0 212.337 0.997 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000925783240 646479229 /nfs/dbraw/zinc/47/92/29/646479229.db2.gz JDWBGGCXNJIXSG-WRWGMCAJSA-N 2 0 211.353 0.701 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000925781848 646479640 /nfs/dbraw/zinc/47/96/40/646479640.db2.gz GTVSMFXSQJUOEP-LYIQGSDWSA-N 2 0 223.364 0.667 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CCCCC[C@H]1[NH3+] ZINC000925782297 646479778 /nfs/dbraw/zinc/47/97/78/646479778.db2.gz FEAGFRXGGMRQRJ-WISYIIOYSA-N 2 0 211.353 0.844 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCOC[C@@H]1C ZINC000925785931 646481158 /nfs/dbraw/zinc/48/11/58/646481158.db2.gz QLIWBMFTBKWEPS-RHYQMDGZSA-N 2 0 212.337 0.857 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CCC[NH2+][C@@H]1C ZINC000925787454 646483505 /nfs/dbraw/zinc/48/35/05/646483505.db2.gz SNMVKFPIGNNZKL-WYUUTHIRSA-N 2 0 211.353 0.572 20 0 BCADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925791570 646485357 /nfs/dbraw/zinc/48/53/57/646485357.db2.gz BDYHAIKRXROSEB-WRWGMCAJSA-N 3 0 213.369 0.947 20 0 BCADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925796008 646486492 /nfs/dbraw/zinc/48/64/92/646486492.db2.gz JOVKYWLYAIDKEF-XQHKEYJVSA-N 2 0 225.380 0.772 20 0 BCADRP COC[C@H]([NH2+]CCN1CCC([NH3+])CC1)C(C)C ZINC000925812621 646490995 /nfs/dbraw/zinc/49/09/95/646490995.db2.gz XFCZHWXMZZFWHP-ZDUSSCGKSA-N 2 0 243.395 0.670 20 0 BCADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)[C@H]1CCCO1 ZINC000925813804 646492054 /nfs/dbraw/zinc/49/20/54/646492054.db2.gz ZEMIVSJJHTUNRD-DGCLKSJQSA-N 2 0 241.379 0.567 20 0 BCADRP CC1(C)[NH2+]CC[C@H]1NCCN1CCC([NH3+])CC1 ZINC000925817907 646493774 /nfs/dbraw/zinc/49/37/74/646493774.db2.gz XLEAWOICYNQXQB-GFCCVEGCSA-N 2 0 240.395 0.140 20 0 BCADRP NC(=O)CC1CC([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000925825338 646498518 /nfs/dbraw/zinc/49/85/18/646498518.db2.gz ZDOGBUFMRVXGAM-MMVSWEMESA-N 2 0 239.363 0.890 20 0 BCADRP C1=C[C@@H](C[NH2+]C2CC[NH2+]CC2)[C@H]2CO[C@@H]1C2 ZINC000925829690 646499684 /nfs/dbraw/zinc/49/96/84/646499684.db2.gz FVJXPLRRZJPTDW-LOWVWBTDSA-N 2 0 222.332 0.919 20 0 BCADRP O=C1C[C@H](CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CN1 ZINC000925838113 646504060 /nfs/dbraw/zinc/50/40/60/646504060.db2.gz KOGBIGIWNAHSDK-FRVSTRGASA-N 2 0 249.358 0.099 20 0 BCADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000925837551 646504718 /nfs/dbraw/zinc/50/47/18/646504718.db2.gz HCSSAYIRXKCIOP-TUAOUCFPSA-N 2 0 239.363 0.762 20 0 BCADRP O=C1C[C@H](CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CN1 ZINC000925838125 646504759 /nfs/dbraw/zinc/50/47/59/646504759.db2.gz KOGBIGIWNAHSDK-XGEMBROFSA-N 2 0 249.358 0.099 20 0 BCADRP C[C@H]([NH2+]CC[C@H]1CNC(=O)C1)[C@H]1CCCC[NH2+]1 ZINC000925836983 646504810 /nfs/dbraw/zinc/50/48/10/646504810.db2.gz AQNLSNBYKHLPAD-QJPTWQEYSA-N 2 0 239.363 0.633 20 0 BCADRP C(N[C@@H]1CC[NH2+]C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841572 646507736 /nfs/dbraw/zinc/50/77/36/646507736.db2.gz QSHYNOLGXDBEBM-IJLUTSLNSA-N 2 0 209.337 0.470 20 0 BCADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@H]1CNOC1 ZINC000925866786 646518457 /nfs/dbraw/zinc/51/84/57/646518457.db2.gz XRJRKLOZEDSJGC-UXGOBAPMSA-N 2 0 225.336 0.385 20 0 BCADRP C(CO[C@@H]1CCOC1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000925876165 646525448 /nfs/dbraw/zinc/52/54/48/646525448.db2.gz XYMDWJRFCXNSLY-NWDGAFQWSA-N 2 0 228.336 0.524 20 0 BCADRP Cc1ccc(NCC[NH2+][C@@H](C)C2C[NH2+]C2)nc1 ZINC000925878271 646527733 /nfs/dbraw/zinc/52/77/33/646527733.db2.gz TYAWZENNHCYBGG-NSHDSACASA-N 2 0 234.347 0.999 20 0 BCADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CC[NH3+] ZINC000723885831 711543557 /nfs/dbraw/zinc/54/35/57/711543557.db2.gz CSJHWKPIWLINQA-MXWKQRLJSA-N 2 0 225.336 0.134 20 0 BCADRP Cc1cn(C)nc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000724001346 711554194 /nfs/dbraw/zinc/55/41/94/711554194.db2.gz LWDIILIHWFCFFO-NSHDSACASA-N 2 0 222.336 0.899 20 0 BCADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724923858 711629152 /nfs/dbraw/zinc/62/91/52/711629152.db2.gz FOUHIIOQPNCCAI-XQQFMLRXSA-N 2 0 242.363 0.851 20 0 BCADRP C[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000309064082 711661383 /nfs/dbraw/zinc/66/13/83/711661383.db2.gz YBQNMHBYEGMTRN-IJLUTSLNSA-N 2 0 212.337 0.831 20 0 BCADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CC1(F)CC1 ZINC000381431276 711659689 /nfs/dbraw/zinc/65/96/89/711659689.db2.gz BOHXATVQPCLLFG-NSHDSACASA-N 2 0 229.343 0.714 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1cc(Cl)nc(Cl)c1 ZINC000381577447 711673153 /nfs/dbraw/zinc/67/31/53/711673153.db2.gz YVOZIQFFEXXLCZ-UHFFFAOYSA-N 2 0 249.145 0.764 20 0 BCADRP C[C@H]1[NH2+]CCC[C@H]1NCC[NH+]1CCCC1 ZINC000396587943 711702364 /nfs/dbraw/zinc/70/23/64/711702364.db2.gz IIKCTHZRXHPHSO-VXGBXAGGSA-N 2 0 211.353 0.812 20 0 BCADRP CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000722149851 711712130 /nfs/dbraw/zinc/71/21/30/711712130.db2.gz OLMRIPAKNPOBNV-QWRGUYRKSA-N 2 0 225.336 0.149 20 0 BCADRP COCCOCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723908459 711731226 /nfs/dbraw/zinc/73/12/26/711731226.db2.gz IKFUVCVQTQHMRL-VXGBXAGGSA-N 2 0 230.352 0.566 20 0 BCADRP C[C@@]1(C[NH3+])CC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724914139 711743743 /nfs/dbraw/zinc/74/37/43/711743743.db2.gz JGMZBHJEWQXMMM-RYUDHWBXSA-N 2 0 228.336 0.463 20 0 BCADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000160054207 711805687 /nfs/dbraw/zinc/80/56/87/711805687.db2.gz MBXBAMCLOBOTPZ-UWVGGRQHSA-N 2 0 225.336 0.324 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226030398 711829945 /nfs/dbraw/zinc/82/99/45/711829945.db2.gz WOUNUJHSEBOHDR-QJPTWQEYSA-N 2 0 230.352 0.443 20 0 BCADRP COC(=O)N(C)CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000701925305 712033636 /nfs/dbraw/zinc/03/36/36/712033636.db2.gz SOOLNOWZAXZELI-WDEREUQCSA-N 2 0 243.351 0.792 20 0 BCADRP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H]1C[C@@H](O)C1 ZINC000703753618 712085150 /nfs/dbraw/zinc/08/51/50/712085150.db2.gz SHHAXPORZXNUDU-XQQFMLRXSA-N 2 0 242.363 0.146 20 0 BCADRP CCN1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000710867538 712260065 /nfs/dbraw/zinc/26/00/65/712260065.db2.gz FNZBKUXHAHJUPC-HAQNSBGRSA-N 2 0 239.363 0.668 20 0 BCADRP C[C@@H]1COC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000710845024 712258524 /nfs/dbraw/zinc/25/85/24/712258524.db2.gz MFVASIATTOFYQP-GHMZBOCLSA-N 2 0 228.336 0.068 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000711308649 712294042 /nfs/dbraw/zinc/29/40/42/712294042.db2.gz AWDXRIUKKSEMHF-QWRGUYRKSA-N 2 0 239.363 0.442 20 0 BCADRP C[NH+](C)CCCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711255326 712291927 /nfs/dbraw/zinc/29/19/27/712291927.db2.gz XJGVYBZKSJHKRK-SNVBAGLBSA-N 2 0 227.352 0.300 20 0 BCADRP C[N@@H+]1CCN(C(=O)C2([NH3+])CC2)CCC1(C)C ZINC000712667975 712439897 /nfs/dbraw/zinc/43/98/97/712439897.db2.gz GJYIZUCQXSILOJ-UHFFFAOYSA-N 2 0 225.336 0.420 20 0 BCADRP CC(C)(C[NH3+])C1CC[NH+](CCO)CC1 ZINC000714405010 712485069 /nfs/dbraw/zinc/48/50/69/712485069.db2.gz OJEAVTFLSRAKLA-UHFFFAOYSA-N 2 0 200.326 0.676 20 0 BCADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715516763 712525181 /nfs/dbraw/zinc/52/51/81/712525181.db2.gz HEXLBSBSFQQUEN-AXFHLTTASA-N 2 0 227.352 0.583 20 0 BCADRP C[C@H]([NH2+]C1CCN(C)CC1)C(=O)NC(C)(C)C ZINC000037249554 712558341 /nfs/dbraw/zinc/55/83/41/712558341.db2.gz FLBUOLUYYTVCOF-JTQLQIEISA-N 2 0 241.379 0.973 20 0 BCADRP CC[NH+](CC)CCNC(=O)CC[NH2+]CC1CC1 ZINC000717225868 712640443 /nfs/dbraw/zinc/64/04/43/712640443.db2.gz GPBAJYOPOZAVTD-UHFFFAOYSA-N 2 0 241.379 0.834 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)CCCCC[NH3+])C1 ZINC000037484893 712650674 /nfs/dbraw/zinc/65/06/74/712650674.db2.gz HPIAPYGMKSRFAB-NSHDSACASA-N 2 0 227.352 0.573 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CO)CC(F)F)C12CCC2 ZINC000717721969 712667085 /nfs/dbraw/zinc/66/70/85/712667085.db2.gz FIZUSDWHXLKDDD-IWSPIJDZSA-N 2 0 234.290 0.862 20 0 BCADRP [NH3+]C[C@@H]1CCCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000380176034 712706338 /nfs/dbraw/zinc/70/63/38/712706338.db2.gz XSEJPDHEYXWTSX-STQMWFEESA-N 2 0 241.379 0.256 20 0 BCADRP CNC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000718010062 712735965 /nfs/dbraw/zinc/73/59/65/712735965.db2.gz CNPKJGIHSUCRNO-GRYCIOLGSA-N 2 0 239.363 0.714 20 0 BCADRP NC(=O)CC1CC([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000718554180 712769481 /nfs/dbraw/zinc/76/94/81/712769481.db2.gz STNYQWITBKZZHO-TVUZUIDESA-N 2 0 237.347 0.500 20 0 BCADRP CC(C)[N@@H+](CC(N)=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719252807 712801436 /nfs/dbraw/zinc/80/14/36/712801436.db2.gz LVGBEFSBBLFDTQ-YOGCLGLASA-N 2 0 239.363 0.713 20 0 BCADRP C[C@@H]1[C@@H](NC(=O)CC[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC000719477862 712808502 /nfs/dbraw/zinc/80/85/02/712808502.db2.gz YEHIJRDAXVDQPU-MNOVXSKESA-N 2 0 241.379 0.973 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720808363 712866775 /nfs/dbraw/zinc/86/67/75/712866775.db2.gz WCKOWHCNDWYGGR-AGIUHOORSA-N 2 0 242.363 0.851 20 0 BCADRP O[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000720893622 712875878 /nfs/dbraw/zinc/87/58/78/712875878.db2.gz OJWXEDZOSYKUIN-FVCCEPFGSA-N 2 0 224.348 0.974 20 0 BCADRP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720896711 712876308 /nfs/dbraw/zinc/87/63/08/712876308.db2.gz DHSIGCVARHPOKH-QJPTWQEYSA-N 2 0 239.363 0.665 20 0 BCADRP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720904915 712877525 /nfs/dbraw/zinc/87/75/25/712877525.db2.gz XSTFVFIQPBRWPL-SDDRHHMPSA-N 2 0 239.363 0.537 20 0 BCADRP C[C@@H](NC(C[NH3+])C[NH3+])c1ccc(F)cc1 ZINC000381267703 710615017 /nfs/dbraw/zinc/61/50/17/710615017.db2.gz UPUWXLKEKPVFSX-MRVPVSSYSA-N 2 0 211.284 0.762 20 0 BCADRP CC[C@@H]1C[N@H+](CCO[C@@H]2CCOC2)CC[C@H]1[NH3+] ZINC000724920737 710749198 /nfs/dbraw/zinc/74/91/98/710749198.db2.gz HTWJUYHROWBMPN-JHJVBQTASA-N 2 0 242.363 0.851 20 0 BCADRP C1=CO[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000393821318 710804512 /nfs/dbraw/zinc/80/45/12/710804512.db2.gz KYEDBGWKYYWGBX-GRYCIOLGSA-N 2 0 208.305 0.830 20 0 BCADRP Cn1ncc(C[NH2+]CCC2CC[NH+](C)CC2)n1 ZINC000383806847 710945420 /nfs/dbraw/zinc/94/54/20/710945420.db2.gz UNVPONGPYHHLDB-UHFFFAOYSA-N 2 0 237.351 0.637 20 0 BCADRP CCOCCN(CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000383775070 710915936 /nfs/dbraw/zinc/91/59/36/710915936.db2.gz IKZVMBWQEUTCRQ-CYBMUJFWSA-N 2 0 244.379 0.802 20 0 BCADRP COC[C@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000382549469 710973064 /nfs/dbraw/zinc/97/30/64/710973064.db2.gz FJXUYXBUDJPMPE-PSEXLTFBSA-N 2 0 242.363 0.599 20 0 BCADRP COCCOCCOCCN1CC[C@H]([NH3+])[C@@H]1C ZINC000383462619 710982096 /nfs/dbraw/zinc/98/20/96/710982096.db2.gz MXMOQMLZLRTESZ-RYUDHWBXSA-N 2 0 246.351 0.088 20 0 BCADRP CC[C@@](C)([NH3+])c1cn(CC[NH+](C)C)nn1 ZINC000384160231 710990688 /nfs/dbraw/zinc/99/06/88/710990688.db2.gz JQDYKOKMGJVBGZ-SNVBAGLBSA-N 2 0 211.313 0.424 20 0 BCADRP C[NH+](C)C1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000380703741 712902552 /nfs/dbraw/zinc/90/25/52/712902552.db2.gz LMEBATAZZZPKMR-SECBINFHSA-N 2 0 235.322 0.995 20 0 BCADRP C[C@H](Cn1ccnc1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000385592548 711015047 /nfs/dbraw/zinc/01/50/47/711015047.db2.gz IXTCZSXDUKYOKK-QQOHENMQSA-N 2 0 246.358 0.858 20 0 BCADRP C[C@H](N[C@H]1CC[N@H+](C)C1)[C@H]1CCCC[NH2+]1 ZINC000386183631 711025606 /nfs/dbraw/zinc/02/56/06/711025606.db2.gz YMMVWWHRWSOOEM-SDDRHHMPSA-N 2 0 211.353 0.811 20 0 BCADRP Cn1nccc1CCN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000388024060 711050395 /nfs/dbraw/zinc/05/03/95/711050395.db2.gz FVMNAAIVALUKQT-LLVKDONJSA-N 2 0 222.336 0.632 20 0 BCADRP C[C@@H]1C[NH+]=C(NC[C@@H]2CCC[N@H+](C)C2)N1 ZINC000389312927 711075516 /nfs/dbraw/zinc/07/55/16/711075516.db2.gz CMMAYJBHLROIND-ZJUUUORDSA-N 2 0 210.325 0.266 20 0 BCADRP C[C@@H]1C[NH+]=C(NC[C@H]2CCC[N@H+](C)C2)N1 ZINC000389312919 711076251 /nfs/dbraw/zinc/07/62/51/711076251.db2.gz CMMAYJBHLROIND-NXEZZACHSA-N 2 0 210.325 0.266 20 0 BCADRP Cn1ncc(CN[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000389806907 711088990 /nfs/dbraw/zinc/08/89/90/711088990.db2.gz CKFSKQIMXWWEJS-IUCAKERBSA-N 2 0 209.297 0.175 20 0 BCADRP C[C@H](C[NH3+])NC(=O)CCCCCC[NH3+] ZINC000389870195 711094124 /nfs/dbraw/zinc/09/41/24/711094124.db2.gz JCGHJSFHXNWVNH-SECBINFHSA-N 2 0 201.314 0.359 20 0 BCADRP CN(CCC[NH3+])C(=O)CCCCCC[NH3+] ZINC000390572149 711125620 /nfs/dbraw/zinc/12/56/20/711125620.db2.gz VFIOQWAUPCKNML-UHFFFAOYSA-N 2 0 215.341 0.703 20 0 BCADRP C[C@@H]1C[N@H+](CCn2cncn2)CC[C@@H]1C[NH3+] ZINC000390583753 711127088 /nfs/dbraw/zinc/12/70/88/711127088.db2.gz QBGVHQAQPSIVHG-GHMZBOCLSA-N 2 0 223.324 0.195 20 0 BCADRP C[C@](CN)([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000390612198 711128505 /nfs/dbraw/zinc/12/85/05/711128505.db2.gz FKYIJWXKILMTGJ-ADEWGFFLSA-N 2 0 211.353 0.831 20 0 BCADRP CN1CCC[NH+]=C1NCC1=CC[N@H+](C)CC1 ZINC000392816629 711152566 /nfs/dbraw/zinc/15/25/66/711152566.db2.gz APENGQXPAOJKBN-UHFFFAOYSA-N 2 0 222.336 0.529 20 0 BCADRP OC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCC1 ZINC000392835574 711153039 /nfs/dbraw/zinc/15/30/39/711153039.db2.gz KVQCPJBBAMDBRC-KKJSVHSVSA-N 2 0 222.332 0.487 20 0 BCADRP CC[NH2+]CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000393827869 711177095 /nfs/dbraw/zinc/17/70/95/711177095.db2.gz SGISMKXPAONSIO-LLVKDONJSA-N 2 0 225.336 0.149 20 0 BCADRP CC[N@@H+]1CC[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000394158171 711187624 /nfs/dbraw/zinc/18/76/24/711187624.db2.gz UBYUUEVJJPOSPE-MNQBEEPXSA-N 2 0 249.402 0.914 20 0 BCADRP CN1CCC[NH+]=C1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000395132320 711203814 /nfs/dbraw/zinc/20/38/14/711203814.db2.gz QVEDFKKPVKIGTO-NSHDSACASA-N 2 0 236.363 0.752 20 0 BCADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)C1CC1 ZINC000397982064 711397755 /nfs/dbraw/zinc/39/77/55/711397755.db2.gz MWYFMRWXOREBMJ-JTQLQIEISA-N 2 0 211.353 0.798 20 0 BCADRP COc1cc(CN2CC[C@@H](C[NH3+])C2)sn1 ZINC000399028818 711419025 /nfs/dbraw/zinc/41/90/25/711419025.db2.gz IWJQQVFKSKSYEE-QMMMGPOBSA-N 2 0 227.333 0.932 20 0 BCADRP CC[N@@H+](CC(=O)N(C)C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000381011988 710597186 /nfs/dbraw/zinc/59/71/86/710597186.db2.gz SRCRCWCNGLICBM-MNOVXSKESA-N 2 0 227.352 0.524 20 0 BCADRP C[C@]1(C[NH2+]C2CCC([NH3+])CC2)CC[NH2+]C1 ZINC000381165187 710605596 /nfs/dbraw/zinc/60/55/96/710605596.db2.gz SGTSJCSLJUEZQQ-MCIGGMRASA-N 3 0 211.353 0.846 20 0 BCADRP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CCC[NH+](C)C ZINC000381213429 710608969 /nfs/dbraw/zinc/60/89/69/710608969.db2.gz FLQNOMLHYPCIOD-QWRGUYRKSA-N 2 0 227.352 0.585 20 0 BCADRP CCOC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000381258007 710613075 /nfs/dbraw/zinc/61/30/75/710613075.db2.gz QTXMCKCHXJCDBQ-WDEREUQCSA-N 2 0 230.352 0.362 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1ccc(F)cc1F ZINC000381422468 710635304 /nfs/dbraw/zinc/63/53/04/710635304.db2.gz WEXWILDHNZVYFO-UHFFFAOYSA-N 2 0 215.247 0.340 20 0 BCADRP [NH3+]CC1CC[NH+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC000724563938 710742208 /nfs/dbraw/zinc/74/22/08/710742208.db2.gz QCBPJGRKFFMAKE-AVGNSLFASA-N 2 0 240.347 0.461 20 0 BCADRP CC[NH2+]CC1CC[NH+](C(COC)COC)CC1 ZINC000384954661 711001827 /nfs/dbraw/zinc/00/18/27/711001827.db2.gz MHHLDARUSJFOHQ-UHFFFAOYSA-N 2 0 244.379 0.969 20 0 BCADRP COCC(COC)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000385010346 711002832 /nfs/dbraw/zinc/00/28/32/711002832.db2.gz XRUUXXHKVMFZTE-GHMZBOCLSA-N 2 0 230.352 0.565 20 0 BCADRP C[C@H](CNC1=[NH+]CCCN1C)C[NH+]1CCCC1 ZINC000386558504 711033245 /nfs/dbraw/zinc/03/32/45/711033245.db2.gz ILYQCGLLNKONDW-GFCCVEGCSA-N 2 0 238.379 0.999 20 0 BCADRP CN1CCC[NH+]=C1NCC(C)(C)[NH+](C)C ZINC000386537504 711031985 /nfs/dbraw/zinc/03/19/85/711031985.db2.gz CGZVJCBWESLMSW-UHFFFAOYSA-N 2 0 212.341 0.608 20 0 BCADRP C[C@H]([NH2+]Cc1cnn(C)n1)C1CC[NH+](C)CC1 ZINC000389831216 711091379 /nfs/dbraw/zinc/09/13/79/711091379.db2.gz ZUQBBODYFVUCNY-JTQLQIEISA-N 2 0 237.351 0.635 20 0 BCADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2COCC2(C)C)CC1 ZINC000397536634 711383801 /nfs/dbraw/zinc/38/38/01/711383801.db2.gz JKENINDPGKYPOE-LLVKDONJSA-N 2 0 242.363 0.458 20 0 BCADRP C[N@@H+]1CCC[C@@H](NC(=O)CCCCC[NH3+])C1 ZINC000040673666 711483109 /nfs/dbraw/zinc/48/31/09/711483109.db2.gz UVUFYUSEOFSNRX-LLVKDONJSA-N 2 0 227.352 0.716 20 0 BCADRP C[N@@H+]1CCC[C@H](NC(=O)CCCCC[NH3+])C1 ZINC000040673665 711483481 /nfs/dbraw/zinc/48/34/81/711483481.db2.gz UVUFYUSEOFSNRX-NSHDSACASA-N 2 0 227.352 0.716 20 0 BCADRP [NH3+]CCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160371241 711488117 /nfs/dbraw/zinc/48/81/17/711488117.db2.gz YAGLOHSQKCOLJH-TXEJJXNPSA-N 2 0 239.363 0.858 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000723671249 711533441 /nfs/dbraw/zinc/53/34/41/711533441.db2.gz YVEBWIIWPUWJEX-LLVKDONJSA-N 2 0 245.330 0.900 20 0 BCADRP NC(=O)c1cccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000723669409 711533526 /nfs/dbraw/zinc/53/35/26/711533526.db2.gz JCIDHFOQSICVEX-NSHDSACASA-N 2 0 247.342 0.956 20 0 BCADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723887573 711543120 /nfs/dbraw/zinc/54/31/20/711543120.db2.gz VIGCELKHKXCNNV-OUAUKWLOSA-N 2 0 227.352 0.380 20 0 BCADRP COC[C@H](C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)OC ZINC000723891383 711543997 /nfs/dbraw/zinc/54/39/97/711543997.db2.gz NVZJSCUSUBCAQH-UTUOFQBUSA-N 2 0 230.352 0.565 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)C[C@H]1CC[NH3+] ZINC000723909436 711544886 /nfs/dbraw/zinc/54/48/86/711544886.db2.gz OLYMYBCWYNNIIU-HLTSFMKQSA-N 2 0 240.269 0.826 20 0 BCADRP CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000724158545 711565345 /nfs/dbraw/zinc/56/53/45/711565345.db2.gz YCOQJZMRIKSZOY-GRYCIOLGSA-N 2 0 240.347 0.617 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC[C@H]1[NH3+] ZINC000724564920 711592833 /nfs/dbraw/zinc/59/28/33/711592833.db2.gz WLBXHMPYPIPPTJ-UJPOAAIJSA-N 2 0 240.347 0.459 20 0 BCADRP CO[C@@H]1CCOC[C@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000724874443 711622534 /nfs/dbraw/zinc/62/25/34/711622534.db2.gz VSXFRCHPFKVQAP-NNYUYHANSA-N 2 0 228.336 0.650 20 0 BCADRP CO[C@@H]1CCOC[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000724915132 711627674 /nfs/dbraw/zinc/62/76/74/711627674.db2.gz KOGPGNQDLFFZJC-KKOKHZNYSA-N 2 0 240.347 0.650 20 0 BCADRP C[C@H]([NH3+])C1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000724923284 711628530 /nfs/dbraw/zinc/62/85/30/711628530.db2.gz UDDCPGUJKPMJGT-WCQYABFASA-N 2 0 242.363 0.851 20 0 BCADRP CC[NH+](CC)CCNC(=O)c1ncoc1CN ZINC000721379334 711653604 /nfs/dbraw/zinc/65/36/04/711653604.db2.gz PIYGPSOQESILTF-UHFFFAOYSA-N 2 0 240.307 0.205 20 0 BCADRP CC[NH2+]CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720904005 711686944 /nfs/dbraw/zinc/68/69/44/711686944.db2.gz WBSXLBUSQIVWNG-GHMZBOCLSA-N 2 0 225.336 0.291 20 0 BCADRP COCC(COC)[N@H+](C)CC(C)(C)C[NH3+] ZINC000395417516 711694624 /nfs/dbraw/zinc/69/46/24/711694624.db2.gz XWGUOEZEPXJHRH-UHFFFAOYSA-N 2 0 218.341 0.565 20 0 BCADRP CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000722149852 711712204 /nfs/dbraw/zinc/71/22/04/711712204.db2.gz OLMRIPAKNPOBNV-WDEREUQCSA-N 2 0 225.336 0.149 20 0 BCADRP CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000722150252 711712221 /nfs/dbraw/zinc/71/22/21/711712221.db2.gz UDHZZRJOOYEEDY-VXGBXAGGSA-N 2 0 239.363 0.539 20 0 BCADRP C[C@H]([NH3+])CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334232041 711714120 /nfs/dbraw/zinc/71/41/20/711714120.db2.gz MLDBDNIBBDZYEA-CMPLNLGQSA-N 2 0 225.336 0.326 20 0 BCADRP CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000722184858 711717791 /nfs/dbraw/zinc/71/77/91/711717791.db2.gz XHRDUMOTYLRLPR-RYUDHWBXSA-N 2 0 239.363 0.539 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335071568 711720139 /nfs/dbraw/zinc/72/01/39/711720139.db2.gz VDHOSVCYHFYJOG-ZDUSSCGKSA-N 2 0 239.363 0.681 20 0 BCADRP [NH3+]CCC1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000724927041 711744124 /nfs/dbraw/zinc/74/41/24/711744124.db2.gz WIGGQWFSSKTQHA-CYBMUJFWSA-N 2 0 242.363 0.853 20 0 BCADRP C[N@H+](C[C@@H](O)C[NH3+])C[C@H]1CC(C)(C)OC1(C)C ZINC000709695615 711756288 /nfs/dbraw/zinc/75/62/88/711756288.db2.gz GNRCNHFSSXZJLZ-MNOVXSKESA-N 2 0 244.379 0.832 20 0 BCADRP C[C@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875911 711761798 /nfs/dbraw/zinc/76/17/98/711761798.db2.gz OZECEJSRPHTDLI-USZNOCQGSA-N 2 0 211.353 0.654 20 0 BCADRP CC1(C)CN(C(=O)c2cccc(C[NH3+])c2)CC[NH2+]1 ZINC000841855887 711768324 /nfs/dbraw/zinc/76/83/24/711768324.db2.gz JINLQEPJAAWPQH-UHFFFAOYSA-N 2 0 247.342 0.969 20 0 BCADRP CC(C)[N@H+](C)CC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335071567 711769846 /nfs/dbraw/zinc/76/98/46/711769846.db2.gz VDHOSVCYHFYJOG-CYBMUJFWSA-N 2 0 239.363 0.681 20 0 BCADRP CCCNC(=[NH2+])NC[C@@H](C)C[NH+](C)C ZINC000393673427 711790427 /nfs/dbraw/zinc/79/04/27/711790427.db2.gz NEIRXKOTPKQDMN-SECBINFHSA-N 2 0 200.330 0.708 20 0 BCADRP CC(C)CNC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000160054688 711805721 /nfs/dbraw/zinc/80/57/21/711805721.db2.gz JFMKNSGSWVSQHH-LLVKDONJSA-N 2 0 227.352 0.429 20 0 BCADRP C[NH2+]C[C@H]1CCCN(C(=O)C2([NH2+]C)CCC2)C1 ZINC000911635289 711819230 /nfs/dbraw/zinc/81/92/30/711819230.db2.gz RVHQFCBSMOXZJK-LLVKDONJSA-N 2 0 239.363 0.587 20 0 BCADRP [NH3+]Cc1nocc1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911715666 711819406 /nfs/dbraw/zinc/81/94/06/711819406.db2.gz ZVYJOTMIMVFCLH-QMMMGPOBSA-N 2 0 238.291 0.005 20 0 BCADRP [NH3+]CCCCCCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876938214 711826199 /nfs/dbraw/zinc/82/61/99/711826199.db2.gz VJXWTWFKQZEQAL-WDEREUQCSA-N 2 0 245.342 0.569 20 0 BCADRP C[C@]1(C(N)=O)CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000700406901 711992412 /nfs/dbraw/zinc/99/24/12/711992412.db2.gz YVMYMKLGQDFFPE-YPMHNXCESA-N 2 0 239.363 0.573 20 0 BCADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@@H](CCF)C2)C1 ZINC000700588750 711998805 /nfs/dbraw/zinc/99/88/05/711998805.db2.gz VSKSRRMKVUERFI-AXFHLTTASA-N 2 0 216.300 0.784 20 0 BCADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033660924 712011559 /nfs/dbraw/zinc/01/15/59/712011559.db2.gz JKYQINTUBTVIKB-RYUDHWBXSA-N 2 0 239.363 0.491 20 0 BCADRP CCO[C@H]1CC[N@H+](C[C@H]2CNCCO2)C1 ZINC000701720734 712028389 /nfs/dbraw/zinc/02/83/89/712028389.db2.gz XDSYQGMIEPCNPW-WDEREUQCSA-N 2 0 214.309 0.086 20 0 BCADRP COC(=O)N(C)CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000701925299 712033894 /nfs/dbraw/zinc/03/38/94/712033894.db2.gz SOOLNOWZAXZELI-GHMZBOCLSA-N 2 0 243.351 0.792 20 0 BCADRP C[C@H](C(=O)N(C)C)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702055698 712037510 /nfs/dbraw/zinc/03/75/10/712037510.db2.gz KRGXGYFSXQWQMS-JFGNBEQYSA-N 2 0 225.336 0.004 20 0 BCADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC[C@H]1CCOC1)C2 ZINC000702097511 712039081 /nfs/dbraw/zinc/03/90/81/712039081.db2.gz NWROSCDBXGFYKK-RWMBFGLXSA-N 2 0 224.348 0.954 20 0 BCADRP C[N@@H+]1C[C@@H]2CN(C[C@@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000702334580 712047530 /nfs/dbraw/zinc/04/75/30/712047530.db2.gz XKHLLOMCLNLXFC-MCIONIFRSA-N 2 0 237.391 0.870 20 0 BCADRP C[N@@H+]1C[C@@H]2CN(C[C@H]([NH3+])CC(F)F)C[C@]2(C)C1 ZINC000702470202 712054019 /nfs/dbraw/zinc/05/40/19/712054019.db2.gz NBFYVALJWLVAOB-FOGDFJRCSA-N 2 0 247.333 0.852 20 0 BCADRP CO[C@@](C)(CO)C[NH2+]CC1CC[NH+](C)CC1 ZINC000702539188 712055177 /nfs/dbraw/zinc/05/51/77/712055177.db2.gz WPNLXIFFDAESGB-GFCCVEGCSA-N 2 0 230.352 0.315 20 0 BCADRP C[NH+](C)CCOCC[NH2+]C1CCC(C)(O)CC1 ZINC000703026191 712065106 /nfs/dbraw/zinc/06/51/06/712065106.db2.gz SOCUEDWQKDDJKF-UHFFFAOYSA-N 2 0 244.379 0.848 20 0 BCADRP C[NH2+]C[C@H]1CC[N@H+](CC2CC(OC)C2)C1 ZINC000703166000 712067343 /nfs/dbraw/zinc/06/73/43/712067343.db2.gz CICSJOIRALYWPP-VOMCLLRMSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@H]([NH2+][C@@H]1CNOC1)C1CC[NH+](C)CC1 ZINC000703398391 712075071 /nfs/dbraw/zinc/07/50/71/712075071.db2.gz OKVCXXBEJNYTDY-GXSJLCMTSA-N 2 0 213.325 0.210 20 0 BCADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000703519639 712077806 /nfs/dbraw/zinc/07/78/06/712077806.db2.gz NCZIHFBJKYGNRM-ZNSHCXBVSA-N 2 0 225.336 0.310 20 0 BCADRP Cn1nccc1CC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703557699 712078779 /nfs/dbraw/zinc/07/87/79/712078779.db2.gz HFLKXJGTWBIHHM-WCQYABFASA-N 2 0 234.347 0.504 20 0 BCADRP CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001034975150 712102818 /nfs/dbraw/zinc/10/28/18/712102818.db2.gz NVSIYUTWJQPKHC-VXGBXAGGSA-N 2 0 241.379 0.927 20 0 BCADRP CCCCOC[C@H](O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000704590088 712111654 /nfs/dbraw/zinc/11/16/54/712111654.db2.gz NHIYXBQFBJNYOP-GFCCVEGCSA-N 2 0 244.379 0.977 20 0 BCADRP CC[NH2+]C[C@H]1CCCN1C(=O)Cn1ccnc1 ZINC001035144945 712115665 /nfs/dbraw/zinc/11/56/65/712115665.db2.gz UMSTXJSGKNBVRG-LLVKDONJSA-N 2 0 236.319 0.484 20 0 BCADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCC[NH+](C)C1 ZINC000705147704 712123478 /nfs/dbraw/zinc/12/34/78/712123478.db2.gz WDBWVZUBQFRCAJ-RWMBFGLXSA-N 3 0 225.380 0.997 20 0 BCADRP COC[C@@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000705805151 712135734 /nfs/dbraw/zinc/13/57/34/712135734.db2.gz BTHYYTNSOBZSFT-LBPRGKRZSA-N 2 0 230.352 0.853 20 0 BCADRP Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc(N)[nH+]1 ZINC000706984259 712160435 /nfs/dbraw/zinc/16/04/35/712160435.db2.gz SZKCMZDZJSEAHM-AOOOYVTPSA-N 2 0 233.319 0.365 20 0 BCADRP COC(=O)CCCC[N@H+](C)C[C@@H](C)[NH3+] ZINC000707526441 712171511 /nfs/dbraw/zinc/17/15/11/712171511.db2.gz XWNTXWPGEUSMCK-SECBINFHSA-N 2 0 202.298 0.609 20 0 BCADRP CO[C@H]1C[C@@H](C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000708095399 712181409 /nfs/dbraw/zinc/18/14/09/712181409.db2.gz DHVCJGQMNRYDOQ-KKOKHZNYSA-N 2 0 212.337 0.938 20 0 BCADRP CCN1CC[C@@H]([N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000708111148 712181742 /nfs/dbraw/zinc/18/17/42/712181742.db2.gz GQABFKPXGLKIEZ-GMTAPVOTSA-N 2 0 225.336 0.134 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1C[NH3+] ZINC000708120397 712182351 /nfs/dbraw/zinc/18/23/51/712182351.db2.gz LUCCYQFTMYCSNU-IJLUTSLNSA-N 2 0 212.337 0.940 20 0 BCADRP C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1C[NH3+] ZINC000708120396 712182359 /nfs/dbraw/zinc/18/23/59/712182359.db2.gz LUCCYQFTMYCSNU-GRYCIOLGSA-N 2 0 212.337 0.940 20 0 BCADRP CC1(C)CO[C@H](C[N@@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000708338016 712188795 /nfs/dbraw/zinc/18/87/95/712188795.db2.gz QPODSSTYFZIEIV-RYUDHWBXSA-N 2 0 242.363 0.851 20 0 BCADRP CO[C@H]1C[C@@H](C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000708695441 712196858 /nfs/dbraw/zinc/19/68/58/712196858.db2.gz GJXSTCCYDKYBBZ-XVZUFCMUSA-N 2 0 236.359 0.997 20 0 BCADRP C[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1C[NH3+] ZINC000708847657 712200621 /nfs/dbraw/zinc/20/06/21/712200621.db2.gz DBWXPQICAKVENR-IWSPIJDZSA-N 2 0 240.269 0.826 20 0 BCADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000709038787 712206202 /nfs/dbraw/zinc/20/62/02/712206202.db2.gz CICSJOIRALYWPP-SDDRHHMPSA-N 2 0 212.337 0.953 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CC(=O)N(C)C1)[NH2+]2 ZINC000709290415 712219345 /nfs/dbraw/zinc/21/93/45/712219345.db2.gz VFIWABZEVWFFAS-IIRVCBMXSA-N 2 0 237.347 0.336 20 0 BCADRP CN(C[C@@H](O)C[NH+]1CCCC1)CC(C)(C)[NH3+] ZINC000709317787 712219711 /nfs/dbraw/zinc/21/97/11/712219711.db2.gz HQCUFWNQIPQQEG-LLVKDONJSA-N 2 0 229.368 0.112 20 0 BCADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCN(C)C1)[NH2+]2 ZINC000709430418 712221647 /nfs/dbraw/zinc/22/16/47/712221647.db2.gz AJSODDFUPLXUCR-MLGHIDQZSA-N 2 0 223.364 0.809 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCn1cccn1)C2 ZINC000709825392 712228921 /nfs/dbraw/zinc/22/89/21/712228921.db2.gz XNMIWBROHLETTH-SRVKXCTJSA-N 2 0 220.320 0.695 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1CCOCC1)C2 ZINC000709845527 712229412 /nfs/dbraw/zinc/22/94/12/712229412.db2.gz UHPFFSAIDYNDBH-XQQFMLRXSA-N 2 0 239.363 0.130 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1CCOCC1)C2 ZINC000709845525 712229426 /nfs/dbraw/zinc/22/94/26/712229426.db2.gz UHPFFSAIDYNDBH-AVGNSLFASA-N 2 0 239.363 0.130 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1CCCC1=O)C2 ZINC000709886922 712231255 /nfs/dbraw/zinc/23/12/55/712231255.db2.gz GNXUSHNRCLQEIO-TUAOUCFPSA-N 2 0 237.347 0.420 20 0 BCADRP COC[C@H](C[N@@H+]1CCC2(C1)CC[NH2+]CC2)OC ZINC000709890644 712231268 /nfs/dbraw/zinc/23/12/68/712231268.db2.gz RZPGRQKYIZQBBE-LBPRGKRZSA-N 2 0 242.363 0.723 20 0 BCADRP [NH3+]CC(C[NH3+])NCc1cccc2cccnc21 ZINC000710054787 712243772 /nfs/dbraw/zinc/24/37/72/712243772.db2.gz CVHMHIRFLYFGJZ-UHFFFAOYSA-N 2 0 230.315 0.610 20 0 BCADRP CC(C)Oc1cccc(CNC(C[NH3+])C[NH3+])c1 ZINC000710062032 712244032 /nfs/dbraw/zinc/24/40/32/712244032.db2.gz ONGCDHVIQQFXJD-UHFFFAOYSA-N 2 0 237.347 0.849 20 0 BCADRP COC[C@H](C[N@H+](C)C1CCC([NH3+])CC1)OC ZINC000710687532 712254167 /nfs/dbraw/zinc/25/41/67/712254167.db2.gz HGJAMHHSUYYNDW-MCIGGMRASA-N 2 0 230.352 0.850 20 0 BCADRP CC[C@H](C(N)=O)[N@H+](C)CCCCCC[NH3+] ZINC000710713327 712254591 /nfs/dbraw/zinc/25/45/91/712254591.db2.gz GVXKFURKCWKMMA-SNVBAGLBSA-N 2 0 215.341 0.701 20 0 BCADRP C[N@H+](CCCCCC[NH3+])C[C@H]1COCCO1 ZINC000710832093 712257945 /nfs/dbraw/zinc/25/79/45/712257945.db2.gz GYXGVESRQJGXSR-LBPRGKRZSA-N 2 0 230.352 0.853 20 0 BCADRP CCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710629900 712264051 /nfs/dbraw/zinc/26/40/51/712264051.db2.gz DEISUBKICBCJLL-UHFFFAOYSA-N 2 0 200.326 0.785 20 0 BCADRP COCCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710647587 712264766 /nfs/dbraw/zinc/26/47/66/712264766.db2.gz BROXQKQDNKSYSW-UHFFFAOYSA-N 2 0 230.352 0.411 20 0 BCADRP CCOCCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710666346 712265150 /nfs/dbraw/zinc/26/51/50/712265150.db2.gz ZGBAWFFCEATCAU-UHFFFAOYSA-N 2 0 244.379 0.802 20 0 BCADRP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000710665653 712265206 /nfs/dbraw/zinc/26/52/06/712265206.db2.gz SYVORCBLKJUWTK-LBPRGKRZSA-N 2 0 242.363 0.411 20 0 BCADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710967087 712269538 /nfs/dbraw/zinc/26/95/38/712269538.db2.gz FMPLEPWAGZJQFT-HAQNSBGRSA-N 2 0 241.379 0.960 20 0 BCADRP FC[C@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000711454070 712304361 /nfs/dbraw/zinc/30/43/61/712304361.db2.gz MKTZCSNJYGBCNV-MNOVXSKESA-N 2 0 228.311 0.799 20 0 BCADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOC1CC1)C2 ZINC000711681398 712316627 /nfs/dbraw/zinc/31/66/27/712316627.db2.gz NYHQLWIMNMZQRX-DCAQKATOSA-N 2 0 210.321 0.977 20 0 BCADRP [NH3+]C[C@H]1CN(CCOC2CC2)CCCO1 ZINC000711777294 712328758 /nfs/dbraw/zinc/32/87/58/712328758.db2.gz QJLMIMWVCKSEOR-NSHDSACASA-N 2 0 214.309 0.215 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000923480266 712334195 /nfs/dbraw/zinc/33/41/95/712334195.db2.gz HBJJNOKOLSQSMZ-VXGBXAGGSA-N 3 0 239.363 0.178 20 0 BCADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000923479432 712334244 /nfs/dbraw/zinc/33/42/44/712334244.db2.gz OVQOEJILRCUWCI-MNOVXSKESA-N 2 0 235.335 0.436 20 0 BCADRP COC(C)(C)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000711860766 712335586 /nfs/dbraw/zinc/33/55/86/712335586.db2.gz DWTDIXQYZOEPIP-GFCCVEGCSA-N 2 0 244.379 0.848 20 0 BCADRP CC[NH2+]CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000390469217 712418730 /nfs/dbraw/zinc/41/87/30/712418730.db2.gz IPXJUHVVBALXLW-VHSXEESVSA-N 2 0 213.325 0.182 20 0 BCADRP C[NH+](C)CC(=O)N1CC[NH2+]CCC1(C)C ZINC000712511606 712432152 /nfs/dbraw/zinc/43/21/52/712432152.db2.gz BCTDZWDZGWWOMG-UHFFFAOYSA-N 2 0 213.325 0.149 20 0 BCADRP C[N@H+](CCOCC[NH3+])C[C@@H]1CCC2(CCC2)O1 ZINC000712500052 712432244 /nfs/dbraw/zinc/43/22/44/712432244.db2.gz AKBXXALXQGAYGD-LBPRGKRZSA-N 2 0 242.363 0.995 20 0 BCADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN2C)CC[N@@H+]1C ZINC000712611928 712437269 /nfs/dbraw/zinc/43/72/69/712437269.db2.gz APQVUBRRUUTMFL-IJLUTSLNSA-N 2 0 211.353 0.763 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC[NH+]2CCCC2)C1 ZINC000713034828 712451532 /nfs/dbraw/zinc/45/15/32/712451532.db2.gz LPGPZOPGWCSOFV-DMDPSCGWSA-N 2 0 237.347 0.326 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000713183926 712453913 /nfs/dbraw/zinc/45/39/13/712453913.db2.gz AVSHTCXFNBAIKX-ICUOPCATSA-N 2 0 249.358 0.467 20 0 BCADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000713227165 712455687 /nfs/dbraw/zinc/45/56/87/712455687.db2.gz UMNKBBYNROUINI-NOHGZBONSA-N 2 0 237.347 0.182 20 0 BCADRP CCOC[C@H](O)C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000713373503 712459685 /nfs/dbraw/zinc/45/96/85/712459685.db2.gz MJVWZHRDGNGYAN-GFCCVEGCSA-N 2 0 244.379 0.977 20 0 BCADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1CCOC1=O)C2 ZINC000714579737 712487818 /nfs/dbraw/zinc/48/78/18/712487818.db2.gz UIGXZQULFPODAY-AXFHLTTASA-N 2 0 239.319 0.250 20 0 BCADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1C[C@H](OC)C1 ZINC000714702530 712496367 /nfs/dbraw/zinc/49/63/67/712496367.db2.gz XALLFMOGKJNMIH-SRVKXCTJSA-N 2 0 230.352 0.755 20 0 BCADRP CCOC[C@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000714994937 712503101 /nfs/dbraw/zinc/50/31/01/712503101.db2.gz MBHFHWVIILXGOG-YNEHKIRRSA-N 2 0 242.363 0.458 20 0 BCADRP CC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715580441 712527061 /nfs/dbraw/zinc/52/70/61/712527061.db2.gz VCJNSYANFORURQ-IJLUTSLNSA-N 2 0 241.379 0.973 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715562452 712528708 /nfs/dbraw/zinc/52/87/08/712528708.db2.gz POGKKVMNTFOBMG-OUAUKWLOSA-N 2 0 227.352 0.713 20 0 BCADRP CC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000036999119 712528753 /nfs/dbraw/zinc/52/87/53/712528753.db2.gz YTODLUAVJVWCBK-QWRGUYRKSA-N 2 0 227.352 0.714 20 0 BCADRP CC1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])OCCO1 ZINC000716792782 712573850 /nfs/dbraw/zinc/57/38/50/712573850.db2.gz JDUUUIUCQIFQCX-MNOVXSKESA-N 2 0 228.336 0.857 20 0 BCADRP C[C@@H]([NH3+])CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000037476635 712647500 /nfs/dbraw/zinc/64/75/00/712647500.db2.gz GKPHAVVLWWETGB-SECBINFHSA-N 2 0 225.336 0.467 20 0 BCADRP C[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)C1C[NH2+]C1 ZINC000717605474 712662531 /nfs/dbraw/zinc/66/25/31/712662531.db2.gz AQCPGPSKSIOGEK-MWLCHTKSSA-N 2 0 212.337 0.999 20 0 BCADRP OC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000717644507 712662802 /nfs/dbraw/zinc/66/28/02/712662802.db2.gz HBFKJCFEGIYPJV-STQMWFEESA-N 2 0 242.363 0.194 20 0 BCADRP CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717974275 712734495 /nfs/dbraw/zinc/73/44/95/712734495.db2.gz JDAQXNRYFTVBHO-OUAUKWLOSA-N 2 0 225.336 0.324 20 0 BCADRP CNC(=O)[C@@H](C)C[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717984395 712735149 /nfs/dbraw/zinc/73/51/49/712735149.db2.gz LGWUUPXPMHYVPF-AXFHLTTASA-N 2 0 227.352 0.428 20 0 BCADRP C[C@]1(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CCC[NH2+]C1 ZINC000718159289 712749736 /nfs/dbraw/zinc/74/97/36/712749736.db2.gz IOYYOKLJHAJOGY-XQQFMLRXSA-N 2 0 224.348 0.954 20 0 BCADRP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H]2C)nc(N)[nH+]1 ZINC000719364739 712806270 /nfs/dbraw/zinc/80/62/70/712806270.db2.gz GSOXXUXUIXEJAH-DTWKUNHWSA-N 2 0 221.308 0.872 20 0 BCADRP C[C@H](CNC(=O)C1CC[NH2+]CC1)[NH+](C)C ZINC000038089207 712807091 /nfs/dbraw/zinc/80/70/91/712807091.db2.gz AYSGSWKTJXLGRB-SECBINFHSA-N 2 0 213.325 0.052 20 0 BCADRP C[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720900788 712875155 /nfs/dbraw/zinc/87/51/55/712875155.db2.gz QTKCCNNRRIXYSY-VWYCJHECSA-N 2 0 225.336 0.419 20 0 BCADRP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720898673 712875442 /nfs/dbraw/zinc/87/54/42/712875442.db2.gz KQCQDSXKIWEKQG-QJPTWQEYSA-N 2 0 239.363 0.809 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000720901577 712876101 /nfs/dbraw/zinc/87/61/01/712876101.db2.gz SKBYMJGOXKRRLJ-JHJVBQTASA-N 2 0 249.358 0.729 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(C)(C)[NH3+] ZINC000720896458 712876428 /nfs/dbraw/zinc/87/64/28/712876428.db2.gz DGHKLVVFSITYJB-VHSXEESVSA-N 2 0 225.336 0.419 20 0 BCADRP CC(C)[NH2+]CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720897467 712876515 /nfs/dbraw/zinc/87/65/15/712876515.db2.gz HSURDQRJWJVYGB-RYUDHWBXSA-N 2 0 239.363 0.680 20 0 BCADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CC1([NH3+])CC1 ZINC000720907456 712877449 /nfs/dbraw/zinc/87/74/49/712877449.db2.gz OYVWUNCLFJCTCI-QWRGUYRKSA-N 2 0 237.347 0.563 20 0 BCADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CC1([NH3+])CC1 ZINC000720907457 712877570 /nfs/dbraw/zinc/87/75/70/712877570.db2.gz OYVWUNCLFJCTCI-WDEREUQCSA-N 2 0 237.347 0.563 20 0 BCADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)C12CCC2 ZINC000720938206 712880318 /nfs/dbraw/zinc/88/03/18/712880318.db2.gz ZVIXNWWOSPACHX-XWLWVQCSSA-N 2 0 210.321 0.617 20 0 BCADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)C12CCC2 ZINC000720938201 712880745 /nfs/dbraw/zinc/88/07/45/712880745.db2.gz ZVIXNWWOSPACHX-GWOFURMSSA-N 2 0 210.321 0.617 20 0 BCADRP C[C@@H]1C[NH2+]C[C@H]1CN(CC(N)=O)C1CCCC1 ZINC000721039564 712887900 /nfs/dbraw/zinc/88/79/00/712887900.db2.gz IRMVHWNSAIBRIN-MNOVXSKESA-N 2 0 239.363 0.572 20 0 BCADRP C[NH+](C)CC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000721054062 712889081 /nfs/dbraw/zinc/88/90/81/712889081.db2.gz JIPZMOPVNYZEKE-CYBMUJFWSA-N 2 0 247.342 0.379 20 0 BCADRP CNC(=O)[C@@H](C)C[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721063960 712889505 /nfs/dbraw/zinc/88/95/05/712889505.db2.gz QPKXUGUJSUGLLP-VWYCJHECSA-N 2 0 227.352 0.156 20 0 BCADRP Cc1nonc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000384004271 712891405 /nfs/dbraw/zinc/89/14/05/712891405.db2.gz NHLRJZZJEATCHC-PHIMTYICSA-N 2 0 236.319 0.809 20 0 BCADRP